#DEFINITION	Reference Metabolome for Callistemon rigidus
#IDENTTFIER	RefMeta-Callistemon rigidus.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Callistemon rigidus
#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 Callistemon rigidus 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	101.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.1
56.96541	0.6
57.07048	0.5
58.96166	2.6
58.99880	0.5
59.04985	1.6
59.93091	0.9
59.96172	0.5
60.04500	1.3
60.95137	1.1
71.29750	0.7
74.06071	2.3
80.16908	0.4
82.99834	2.1
83.04979	0.6
84.01205	0.5
89.00207	0.8
100.97218	0.8
100.97997	0.7
101.00874	25.7
101.02543	1.5
101.07947	1.2
102.00966	2.1
102.02236	0.8
102.09179	4.0
102.12823	0.5
119.01916	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
53.25379	0.3
55.05513	1.9
56.05028	1.1
56.25432	0.3
56.96567	5.1
57.01809	0.3
57.03423	0.4
58.06598	0.5
58.96163	3.5
58.99865	0.3
59.04985	1.1
59.96175	0.5
60.04521	0.4
60.95833	0.5
60.99592	0.3
64.89506	0.3
66.75151	0.3
70.75681	0.6
70.76054	0.7
71.04983	0.5
71.95260	0.9
73.02906	0.7
73.94866	0.9
74.09705	1.2
75.39079	0.3
77.00853	0.6
80.30672	0.3
82.01414	0.3
82.99837	3.8
83.01501	0.8
83.04964	1.1
84.01189	0.4
90.01563	0.4
90.08809	0.3
91.85527	0.4
98.97594	0.6
100.02505	0.6
100.97203	2.2
100.98012	1.2
101.00878	37.1
101.02542	2.2
101.05980	0.4
101.32455	0.3
102.00923	2.6
102.02229	1.1
102.05515	0.4
102.12827	3.3
110.97506	0.4
118.98216	1.1
119.01916	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20193	1.1
53.56701	1.0
56.05040	2.7
56.60958	1.1
59.04993	1.9
60.23331	1.1
70.07873	3.3
70.08262	2.5
72.27174	1.1
74.06052	1.5
77.02818	1.2
82.55957	1.6
82.99854	1.4
83.01555	1.4
87.89252	1.5
90.83945	1.4
101.00877	26.4
101.02596	4.8
102.01004	1.3
102.02213	1.4
102.09167	3.1
118.03495	1.4
119.01912	100.0
119.03658	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	1018.5937
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01361	2.3
71.04994	4.9
71.25220	1.7
73.02911	4.7
79.05492	72.4
79.30556	1.6
81.03416	11.3
81.07058	84.9
81.69839	1.5
82.07383	2.3
83.04982	9.0
83.08619	18.0
85.02898	28.2
85.06534	4.4
87.04475	5.1
89.61550	1.6
91.03473	1.7
91.03957	9.1
91.04944	3.7
91.05480	40.0
93.07045	59.7
95.04976	10.0
95.08604	51.9
97.02887	13.4
97.06535	5.7
97.10167	14.9
98.23275	3.6
99.08057	2.2
105.04530	2.7
105.07032	20.5
107.04966	4.8
107.08589	33.2
109.06531	3.3
109.10154	67.9
110.10458	1.6
111.08075	3.7
115.05447	2.1
117.07014	9.8
119.08566	17.2
121.10143	25.6
123.08156	2.5
123.11740	6.9
125.09619	18.4
127.03938	1.8
129.05470	2.5
129.07010	3.3
131.08559	18.1
133.10133	10.3
135.11696	17.5
137.09621	4.3
143.08563	2.1
143.10690	3.5
145.04961	3.4
145.10123	12.9
147.11717	7.2
149.09718	2.4
149.13252	5.8
153.12738	3.9
155.08611	2.0
155.10663	3.3
157.10094	2.2
158.57401	1.7
159.11638	8.0
161.13252	6.2
163.06027	4.4
163.11179	9.4
163.14812	4.4
165.12851	1.7
167.80928	1.5
173.09839	2.5
173.10213	2.9
173.11757	18.4
173.13284	6.7
175.14836	3.0
179.14174	1.6
181.12221	1.9
187.14905	2.7
191.10687	2.2
193.12206	3.1
199.13283	6.8
201.16508	2.6
209.11719	4.1
227.12878	6.1
229.14326	45.7
230.14626	2.2
243.21100	6.8
245.13847	1.8
257.13794	3.4
261.22147	20.6
267.15906	5.5
277.22018	1.7
283.15460	3.1
301.16522	15.1
302.16611	2.0
317.24683	4.0
335.25787	100.0
336.26169	5.3
341.04730	1.8
363.24893	1.9
399.23798	10.6
477.35812	7.9
489.35730	28.1
490.35733	2.1
543.36469	2.1
561.37457	8.2
579.38806	4.6
659.45032	30.5
660.46069	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	1018.5937
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01361	2.3
71.04994	4.9
71.25220	1.7
73.02911	4.7
79.05492	72.4
79.30556	1.6
81.03416	11.3
81.07058	84.9
81.69839	1.5
82.07383	2.3
83.04982	9.0
83.08619	18.0
85.02898	28.2
85.06534	4.4
87.04475	5.1
89.61550	1.6
91.03473	1.7
91.03957	9.1
91.04944	3.7
91.05480	40.0
93.07045	59.7
95.04976	10.0
95.08604	51.9
97.02887	13.4
97.06535	5.7
97.10167	14.9
98.23275	3.6
99.08057	2.2
105.04530	2.7
105.07032	20.5
107.04966	4.8
107.08589	33.2
109.06531	3.3
109.10154	67.9
110.10458	1.6
111.08075	3.7
115.05447	2.1
117.07014	9.8
119.08566	17.2
121.10143	25.6
123.08156	2.5
123.11740	6.9
125.09619	18.4
127.03938	1.8
129.05470	2.5
129.07010	3.3
131.08559	18.1
133.10133	10.3
135.11696	17.5
137.09621	4.3
143.08563	2.1
143.10690	3.5
145.04961	3.4
145.10123	12.9
147.11717	7.2
149.09718	2.4
149.13252	5.8
153.12738	3.9
155.08611	2.0
155.10663	3.3
157.10094	2.2
158.57401	1.7
159.11638	8.0
161.13252	6.2
163.06027	4.4
163.11179	9.4
163.14812	4.4
165.12851	1.7
167.80928	1.5
173.09839	2.5
173.10213	2.9
173.11757	18.4
173.13284	6.7
175.14836	3.0
179.14174	1.6
181.12221	1.9
187.14905	2.7
191.10687	2.2
193.12206	3.1
199.13283	6.8
201.16508	2.6
209.11719	4.1
227.12878	6.1
229.14326	45.7
230.14626	2.2
243.21100	6.8
245.13847	1.8
257.13794	3.4
261.22147	20.6
267.15906	5.5
277.22018	1.7
283.15460	3.1
301.16522	15.1
302.16611	2.0
317.24683	4.0
335.25787	100.0
336.26169	5.3
341.04730	1.8
363.24893	1.9
399.23798	10.6
477.35812	7.9
489.35730	28.1
490.35733	2.1
543.36469	2.1
561.37457	8.2
579.38806	4.6
659.45032	30.5
660.46069	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	1022.5099
Annotation	Unknow
Peak:m/z	Relative Intensity
71.33916	0.8
71.90709	0.7
78.04699	1.0
79.05473	4.6
91.05484	3.6
93.07004	0.8
95.04955	2.5
103.05473	4.1
105.07024	11.2
107.04947	33.0
107.08608	1.4
109.06462	0.8
115.05448	3.6
117.06989	2.2
118.04156	1.0
119.04992	0.7
119.08567	0.9
120.05692	1.3
121.06483	2.5
121.52412	0.7
123.04426	2.5
124.05160	1.6
131.04861	0.8
133.06476	8.6
135.08034	10.8
137.05962	2.9
137.44553	0.6
145.07567	0.7
147.04393	0.8
147.08003	2.8
149.05977	2.0
150.06737	2.0
151.03938	0.9
151.07487	0.8
152.04646	0.7
154.06223	3.4
161.05983	7.0
163.07521	15.5
165.05457	1.9
165.09081	3.7
166.06197	1.3
167.07021	43.1
168.07414	0.7
174.14035	0.8
177.05507	0.7
177.09123	0.9
178.06258	1.8
178.09850	2.5
179.10652	0.9
180.07774	3.7
181.08594	3.5
192.07823	1.2
193.08588	52.0
194.09021	2.5
195.10150	100.0
196.10468	3.5
207.10127	0.7
209.08078	1.2
211.09698	0.7
221.11670	5.6
233.11697	1.8
235.13223	1.0
239.12779	2.8
387.17944	2.6
389.19650	1.5
541.48346	0.6
718.83929	0.7
951.25043	0.8
1022.56268	0.8
1023.55261	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.9
51.02374	2.7
53.03945	19.8
55.01854	0.7
58.06598	5.8
59.07375	1.5
60.08162	52.5
60.95851	10.2
62.92988	4.8
69.03425	5.4
70.50203	1.0
70.50544	0.6
72.83813	0.6
74.58904	0.4
75.94561	3.2
77.03918	3.7
81.03411	2.6
86.06075	3.8
87.04465	11.3
95.04964	25.3
96.05293	0.7
102.04671	3.7
102.96861	3.4
103.05462	72.1
103.09502	1.2
104.05846	2.4
104.10736	100.0
105.04512	12.3
120.97890	3.6
121.01637	1.7
121.96627	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1030.464
Annotation	Unknow
Peak:m/z	Relative Intensity
73.17637	0.5
79.05488	2.3
80.60784	0.5
81.07056	1.2
85.02896	3.0
91.05477	6.8
93.03405	5.9
94.04189	1.5
95.04961	1.4
97.02898	0.9
103.05471	1.8
105.07030	11.7
107.04957	3.7
109.02887	0.8
109.06500	1.2
110.03683	0.7
111.04438	7.9
115.05421	0.8
117.07039	0.7
119.04959	5.6
121.06525	1.2
122.03659	4.9
125.05995	12.6
127.03914	0.6
128.06232	1.1
131.04942	0.9
131.08548	1.5
133.06493	13.8
135.08090	0.6
136.05206	0.7
137.05980	100.0
138.06343	1.9
143.08542	8.8
145.04985	0.7
145.06499	4.7
147.08073	0.6
147.82007	0.5
148.05186	0.7
149.06012	0.7
151.03917	24.0
151.04941	1.2
151.07544	39.8
152.07834	0.6
153.05467	29.2
154.05800	0.7
155.06000	0.7
159.08038	3.5
162.06728	3.2
163.07574	1.7
163.37820	0.5
165.09119	31.2
166.09433	0.8
167.07053	0.6
171.08055	11.8
172.08713	0.9
175.07536	0.9
177.09099	3.3
179.07071	0.7
181.08656	3.5
188.08334	10.7
189.09035	0.8
189.10609	0.6
191.10680	4.3
193.12167	0.8
203.10675	43.7
204.10985	1.2
207.10089	0.6
221.11728	54.8
222.12013	1.3
263.10794	1.1
295.13330	1.8
304.22614	0.6
320.73749	0.7
327.15927	35.5
328.16193	1.8
345.16968	73.1
346.17245	2.5
496.05936	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1036.4892
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05476	4.5
81.07056	1.7
85.02891	2.4
91.05468	2.4
93.03422	1.6
95.04948	3.9
103.05481	6.7
105.06997	7.0
107.04942	25.7
110.03684	1.2
115.05429	3.2
121.06482	2.3
123.04325	1.4
124.05193	1.4
125.05991	2.8
131.04918	1.6
133.06465	2.8
135.08044	9.1
137.05954	2.6
142.02649	1.8
145.10124	1.7
146.07263	1.6
148.05193	2.1
149.05934	2.0
151.07516	1.6
153.05519	1.7
154.06236	3.8
158.07314	2.2
161.05959	1.7
161.09651	1.6
163.07527	17.9
165.09105	3.1
167.07019	29.5
171.06506	2.8
173.09608	3.8
177.09175	1.6
178.09871	2.2
180.07794	4.3
181.04939	100.0
181.08559	5.3
182.05283	3.2
189.09094	2.5
191.06976	3.2
191.10637	1.9
192.07837	1.9
193.08591	15.3
194.09233	1.4
195.10150	75.3
196.10468	4.0
201.09113	5.6
207.06490	2.3
221.11719	10.8
223.13297	13.2
233.11632	3.5
235.09708	1.4
246.79181	1.3
249.11197	4.0
251.12915	2.2
290.31439	1.3
329.10077	1.7
385.16217	9.9
387.17987	4.4
403.17462	34.8
404.17502	2.8
413.19452	1.7
429.18930	2.1
431.20682	1.7
450.09250	1.3
545.93536	1.3
597.26831	1.9
625.29932	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	1038.5051
Annotation	Unknow
Peak:m/z	Relative Intensity
78.04694	1.0
79.05494	7.0
91.05479	4.9
91.64864	0.9
93.06979	1.1
93.88711	0.8
95.04953	3.0
103.05465	5.3
105.04507	1.0
105.07017	11.6
107.04948	37.5
115.05444	3.4
117.07024	1.3
118.04167	1.1
121.06508	2.4
123.04440	1.9
124.05220	1.9
131.04890	1.3
132.05692	1.1
133.06491	7.4
135.08026	10.7
137.05949	2.8
139.07475	1.1
143.08560	1.1
145.06468	0.9
147.08014	2.5
148.05150	1.6
149.05908	2.1
150.06705	1.4
151.03928	1.3
152.04689	1.0
154.06242	2.8
161.06009	4.1
163.07532	19.1
164.07976	0.9
165.05443	1.8
165.09114	3.3
167.07027	62.7
168.07401	2.2
175.07465	0.9
177.09065	1.6
178.06255	1.0
178.09865	3.3
180.07808	3.5
181.08566	3.5
190.18468	0.9
191.07034	3.4
192.07806	6.8
193.08588	62.0
194.09142	3.6
195.10147	100.0
196.10472	4.6
207.10216	0.9
211.09641	2.3
221.11703	12.6
233.11674	1.3
235.13329	2.2
239.12836	1.1
253.26219	0.7
327.67072	0.9
385.16403	2.4
387.18015	1.8
388.18634	1.0
389.19693	2.2
397.32510	0.8
537.78094	1.0
722.32898	0.9
961.49921	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.4
56.34006	1.8
58.06601	5.5
59.07354	2.1
59.77924	1.8
60.08164	66.9
62.92990	52.4
62.93491	2.1
66.02255	1.8
71.22543	1.7
71.33695	2.8
79.05489	4.8
84.64821	1.8
87.04445	4.1
95.04987	3.1
103.05477	2.6
104.10739	100.0
105.07030	9.6
105.11098	1.9
121.96640	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	104.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53989	0.1
53.57161	0.2
57.31654	0.2
58.06597	5.9
59.07379	1.9
60.08162	56.4
61.07896	0.2
61.08502	0.8
61.55291	0.1
63.17411	0.1
69.59634	0.9
86.09694	0.2
104.10739	100.0
105.11062	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	104.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39149	0.2
54.05435	0.2
58.06596	5.5
59.07377	1.7
60.08159	54.1
61.08488	0.9
69.03433	0.3
69.07303	0.9
69.07723	0.7
72.29097	0.2
86.09708	0.2
87.04470	0.3
89.35532	0.2
104.10734	100.0
105.10427	0.2
105.11053	2.7
115.23558	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	3.7
51.02383	13.1
53.00301	0.5
53.03949	80.0
54.04284	2.0
55.01879	5.2
55.52071	0.4
65.03932	0.5
68.99784	0.7
77.03934	23.2
78.04282	0.5
79.05498	23.4
80.05824	1.0
81.03420	9.9
95.04971	100.0
96.05300	3.1
103.05472	16.5
105.03394	64.2
105.04517	45.6
105.07029	42.1
106.03692	2.3
106.04863	1.5
106.06553	1.3
106.07362	1.4
118.06556	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	3.4
51.02378	11.0
53.00297	0.6
53.03944	71.1
54.04281	1.9
55.01872	4.1
59.92299	0.2
65.00295	0.3
65.03930	0.6
68.99789	0.8
69.32688	0.5
69.33102	1.6
71.46620	0.3
77.03924	24.3
78.04273	0.8
79.05489	9.8
81.03416	10.0
85.14597	0.2
95.04964	100.0
96.05299	3.0
98.03671	0.4
103.05467	5.6
105.03390	64.5
105.04510	43.5
105.07018	16.0
106.03709	2.5
106.04815	1.4
106.07376	0.6
118.06523	0.7
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
50.01592	1.0
51.02376	2.5
53.03705	1.1
53.03946	19.3
65.03929	2.1
77.03928	4.2
77.04295	0.8
78.04713	1.2
79.05492	54.1
80.05812	1.8
81.03421	2.0
91.05475	1.1
95.04969	21.6
96.05270	0.6
103.05466	32.7
104.05762	1.2
105.03391	2.6
105.04523	9.1
105.07027	100.0
106.04878	0.8
106.06546	4.3
106.07356	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	105.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01575	0.8
51.02358	3.2
53.03699	1.1
53.03948	20.3
53.20396	0.6
55.01862	1.5
65.03925	0.9
71.12257	1.5
77.03926	5.0
79.05489	59.0
80.05814	1.5
81.03414	2.2
95.04965	20.1
95.94339	0.8
96.05244	0.8
103.05462	40.6
104.05804	1.4
105.03423	3.5
105.04524	7.9
105.07024	100.0
106.06632	1.0
106.07354	4.2
121.14270	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01595	3.3
51.02383	11.9
53.03946	77.8
54.04287	2.7
55.01870	5.3
64.92809	0.5
65.03928	1.1
68.99793	0.6
69.94943	1.7
77.03926	19.6
79.05492	21.4
80.05834	0.6
80.11259	0.4
81.03418	8.5
82.03785	0.4
89.09442	0.4
95.04965	100.0
96.05300	3.5
98.03695	0.4
98.23245	0.4
103.05473	14.0
104.05768	0.5
105.03380	60.0
105.04501	43.9
105.07023	39.9
106.03702	2.3
106.04842	1.5
106.06547	1.6
106.07348	2.1
108.02039	0.4
112.91131	0.4
116.19066	0.4
118.06520	0.7
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
50.00706	0.6
50.01596	0.8
51.02372	2.1
53.03704	1.0
53.03947	16.0
55.01870	0.8
59.51863	0.6
65.03927	1.9
69.46687	4.2
75.51779	0.5
76.15781	0.5
77.03917	4.0
79.05492	52.3
80.05836	1.8
81.03400	1.4
91.05486	1.2
95.04970	16.7
96.05327	0.7
103.05466	33.9
104.05738	1.2
105.04539	6.0
105.07028	100.0
106.06550	2.1
106.07368	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	105.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	0.6
51.02386	2.4
51.02579	0.5
53.03703	0.8
53.03948	16.0
55.01865	1.1
57.97125	0.7
65.03932	1.4
66.08424	0.6
69.17717	4.3
77.03926	4.4
79.05491	52.8
80.05820	1.3
81.03406	1.8
95.04964	16.0
98.52877	0.5
103.05464	32.7
104.05766	0.9
105.04518	6.3
105.07025	100.0
106.07354	4.2
115.81381	0.5
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
51.02377	2.0
51.60556	0.4
53.03706	0.7
53.03948	12.4
55.01862	0.8
65.03946	1.0
69.27920	3.4
70.94352	0.4
77.03930	3.9
78.04707	0.5
79.05492	52.6
80.05817	1.8
81.03408	1.7
95.04970	15.8
103.05465	35.0
104.05788	1.2
105.04536	7.5
105.07027	100.0
106.06680	0.6
106.07356	4.1
119.93374	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	1.3
51.02371	2.3
53.03944	26.6
53.86622	0.6
54.04289	0.9
55.01864	2.8
56.86331	0.6
62.00249	0.6
65.03944	1.8
67.05495	1.0
69.46566	4.3
71.57729	0.7
77.03917	3.5
79.05489	41.8
80.05010	6.5
80.05806	1.3
81.03413	2.5
91.05474	11.3
93.05776	2.9
95.04964	24.8
96.04504	1.4
96.05286	1.1
105.04507	12.4
105.07041	2.7
107.04948	100.0
107.06853	1.6
107.08585	1.6
108.04471	5.9
108.05276	3.0
108.08109	12.4
109.06528	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0495
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
51.02378	4.9
53.03946	38.7
54.16726	1.7
55.01865	6.0
65.03931	8.3
67.05489	1.9
68.94842	1.7
69.52899	3.3
69.53302	7.5
77.03920	7.0
79.05491	65.0
80.05013	25.0
80.05788	3.6
81.03427	5.4
91.05477	62.0
92.06285	3.0
93.05772	11.4
95.04957	34.0
96.04485	8.9
105.04510	19.5
105.07015	14.6
106.06571	2.7
107.04955	100.0
107.06110	4.1
107.06896	6.4
107.08577	16.6
108.04499	23.3
108.05224	3.7
108.08115	41.7
109.06499	3.7
119.06081	3.0
124.03942	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0495
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
51.02374	3.5
53.03700	1.5
53.03947	26.1
54.85616	0.8
55.01863	4.6
56.66993	1.0
65.03923	2.6
65.78831	0.8
72.74741	0.8
77.03922	4.1
79.05490	41.1
80.05009	8.3
80.05827	1.9
81.03413	2.7
91.05479	11.5
93.05768	3.5
95.04963	23.6
96.04478	2.2
105.04520	11.2
105.07040	2.9
106.06615	0.8
107.04950	100.0
107.06885	2.8
107.08572	1.9
108.04475	5.4
108.05294	3.3
108.08112	14.6
111.12656	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0495
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01594	0.7
50.66785	0.3
51.02375	2.7
53.03942	22.9
54.04274	0.6
55.01862	1.6
65.03930	1.3
70.87424	0.7
70.87747	0.4
77.03915	6.5
79.05486	49.8
80.04989	0.9
80.05801	1.7
81.03416	2.2
85.46558	0.3
91.04939	0.6
91.05480	8.6
95.04960	25.1
96.04459	0.3
96.05304	0.8
105.03803	0.7
105.04509	11.4
105.07009	2.2
107.04945	100.0
107.08571	2.2
108.04474	1.1
108.05278	5.0
108.08086	0.4
109.06527	1.1
112.07902	0.3
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	Unknow
Peak:m/z	Relative Intensity
51.02375	1.2
53.03705	0.8
53.03946	13.8
55.01875	2.2
55.55009	0.3
65.03938	2.0
67.05491	0.7
70.87550	0.7
77.03928	3.5
79.05489	21.1
80.04996	0.9
80.05835	0.9
81.03426	2.0
89.74772	0.3
91.05475	12.5
92.05753	0.4
92.06284	0.5
95.04964	14.0
96.04517	0.4
96.05268	0.4
105.04514	6.6
105.07042	3.3
107.04948	100.0
107.08570	2.4
108.04469	1.2
108.05282	4.5
108.08103	0.6
109.06477	1.1
119.06087	0.5
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	Unknow
Peak:m/z	Relative Intensity
50.01582	0.4
51.02383	1.6
53.03944	11.7
55.01868	2.6
55.05512	0.3
65.03938	2.6
67.05509	0.6
69.41431	1.6
77.03932	2.8
79.01849	0.3
79.05490	16.8
80.05012	0.6
80.05807	0.7
81.03407	1.6
91.05478	16.2
92.05775	0.8
92.06296	0.6
95.04964	12.7
105.04512	5.3
105.07028	4.3
107.04951	100.0
107.08585	4.5
108.04476	0.8
108.05269	4.1
108.08130	0.4
109.06516	1.7
114.65484	0.3
119.06072	1.5
120.32852	0.3
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
50.01596	1.2
50.40264	0.3
51.02380	3.7
51.25386	0.3
53.03947	28.9
54.04276	1.2
55.01875	2.4
56.52829	0.3
61.63316	0.3
65.03938	3.4
67.05499	1.1
70.24865	0.5
70.25223	0.6
77.03926	7.6
79.05491	82.2
80.05022	0.6
80.05824	2.7
80.09084	0.3
81.03420	2.9
91.05476	19.3
92.05803	0.9
92.06271	0.9
93.05791	0.3
95.04965	35.1
96.05305	1.6
105.04516	17.3
105.07014	5.2
106.04845	0.3
107.04951	100.0
107.08591	5.0
108.04476	1.0
108.05285	4.9
108.08183	0.3
109.06508	1.6
115.97238	0.3
118.06566	0.4
119.06040	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50109	0.3
51.02379	0.5
53.03942	4.3
55.01865	0.9
55.38939	0.4
65.03938	15.2
66.04283	0.5
67.05502	3.2
70.43894	0.4
71.32619	0.6
77.03882	0.9
79.05486	22.3
80.04992	0.5
80.05820	0.4
81.03398	0.7
91.05472	100.0
92.05756	3.2
92.06311	3.1
92.51986	0.3
95.04965	4.1
97.47744	0.4
99.88327	0.4
102.44579	0.3
103.05473	0.9
105.04534	1.8
105.07023	27.9
106.04166	0.9
106.07357	1.4
107.04948	10.5
107.08584	24.0
108.08150	0.4
108.08925	1.3
109.06509	9.3
119.06051	7.2
124.05190	0.5
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
50.01599	0.5
51.02377	0.6
52.17802	0.3
52.33735	0.3
53.03945	3.1
55.01870	1.5
55.05515	0.3
62.38446	0.3
63.02340	0.4
65.03941	15.2
66.04273	0.5
67.05503	3.6
68.05825	0.3
69.68546	0.6
69.68922	1.0
74.81144	0.3
77.03925	1.1
79.05492	24.8
80.05036	0.8
80.05821	0.9
81.03416	0.7
82.13866	0.3
91.05481	100.0
92.05795	2.8
92.06277	3.3
95.04974	4.2
103.05479	0.5
105.04519	1.7
105.07031	28.7
106.04168	0.6
106.07355	1.1
107.01366	0.4
107.04259	0.5
107.04958	8.4
107.08593	25.3
108.04513	0.7
108.08122	0.8
108.08929	1.0
109.06518	10.0
110.06819	0.4
119.06067	7.6
124.05207	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.02368	0.6
53.03943	4.3
55.01867	1.1
55.05533	0.5
56.03844	0.4
65.03938	15.3
66.04282	0.6
67.05506	3.9
69.79993	0.3
70.01682	0.7
77.03920	1.2
79.05488	28.4
80.05014	0.5
80.05806	0.4
81.03401	0.6
86.51443	0.4
91.05475	100.0
92.05743	3.3
92.06319	2.8
95.04971	4.9
98.80904	0.4
103.05459	0.6
105.04517	2.1
105.07023	26.2
106.04183	0.8
106.07355	1.2
107.04948	11.3
107.08586	26.1
108.04465	1.1
108.08146	0.7
108.08929	1.4
109.06516	9.7
110.06858	0.4
119.06059	6.9
120.13258	0.4
124.05164	0.5
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
51.02378	0.3
53.03949	1.5
53.63684	0.2
55.01868	0.9
55.03582	0.2
55.05508	0.3
63.02367	0.3
65.03941	16.3
66.04267	0.4
67.05502	3.4
69.35065	0.9
69.35471	0.5
77.03913	0.4
79.05492	15.5
80.05002	0.2
80.05823	0.5
81.03404	0.3
91.05479	100.0
91.17946	0.2
92.05800	3.5
92.06272	2.9
95.04970	2.2
103.05460	1.0
105.04520	0.5
105.07027	29.3
106.04191	1.0
106.07370	1.4
107.04958	3.4
107.08589	21.6
108.04485	0.4
108.05260	0.2
108.08186	0.3
108.08930	1.3
109.06515	9.3
110.06828	0.3
119.06064	8.3
120.06396	0.3
124.05191	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.02374	0.4
53.03944	0.7
55.01871	0.4
65.03939	14.8
66.04274	0.4
67.05506	2.1
67.15826	0.2
70.42397	0.4
70.42735	0.2
70.82552	0.2
76.84157	0.2
77.03894	0.2
79.05492	10.5
80.05836	0.4
91.05477	100.0
92.05799	3.5
92.06273	2.3
95.04970	1.0
103.05470	0.7
103.73615	0.2
105.07027	28.2
106.04177	1.1
106.07356	1.4
107.04973	0.9
107.08590	27.6
108.08187	0.2
108.08896	1.3
109.06513	11.1
110.06851	0.4
119.06064	8.2
124.05186	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
50.01595	0.2
51.02362	0.4
53.03947	1.4
55.01870	0.9
55.05529	0.2
63.02359	0.2
65.03941	14.6
65.06668	0.2
66.04268	0.3
67.05505	2.5
70.67702	0.4
77.03915	0.6
79.05492	14.3
80.05030	0.6
80.05839	0.4
81.03394	0.2
91.05478	100.0
92.05801	3.5
92.06275	2.5
93.05775	0.2
95.04961	2.0
103.05457	0.8
105.04517	0.8
105.07028	27.7
106.04139	1.0
106.07354	1.3
107.04958	3.8
107.08590	27.5
108.04498	0.5
108.08124	1.0
108.08939	1.6
109.06516	10.3
110.06868	0.4
119.06065	7.9
120.06390	0.3
124.05201	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1074.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
83.60576	6.7
91.05504	8.8
123.04430	33.3
135.04427	12.8
139.03865	34.6
147.04387	11.1
149.05992	7.4
151.03931	21.3
158.91536	7.0
163.03896	55.2
175.03859	11.7
187.03914	14.0
189.05482	17.7
201.05293	12.9
205.05037	18.4
215.03358	13.8
217.04955	14.7
229.04993	12.8
231.02867	29.0
231.53110	6.6
247.02258	7.9
247.06062	9.3
257.00867	11.1
257.04462	7.2
259.02383	46.6
275.01877	9.0
276.02600	8.5
277.03339	94.8
281.04456	13.3
287.01807	6.7
289.03424	25.6
297.03851	9.7
299.01791	13.8
303.01346	41.8
313.03488	17.6
315.01398	37.3
315.04660	9.7
327.01297	15.0
328.99066	12.1
331.00891	16.7
339.05142	13.8
341.02893	21.6
345.02365	29.7
345.06339	7.3
353.02682	11.1
358.52676	6.5
367.04266	10.5
369.02789	8.6
391.04486	8.0
403.04449	7.9
407.03748	10.0
411.03848	9.4
437.04987	17.4
439.06818	10.7
447.03564	11.9
465.04660	30.4
477.03369	8.2
505.07941	11.8
513.04419	10.1
531.05280	19.1
549.06659	15.9
567.07446	26.4
585.08618	100.0
586.08923	8.5
603.09412	19.1
869.05719	8.9
887.09277	8.7
905.10193	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	1084.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
78.63538	1.4
81.03417	4.5
85.02894	3.5
91.05472	2.4
95.01326	4.6
95.04960	2.0
97.02863	2.6
104.21752	1.5
105.03371	2.8
114.39570	1.4
115.05496	1.7
119.04968	2.7
121.02823	2.5
131.04919	3.8
133.02896	1.8
139.03957	2.0
147.04436	8.0
157.02864	4.4
159.04422	1.8
161.02367	3.4
163.03882	4.0
173.02354	3.7
175.03929	8.7
177.01823	4.0
179.03401	4.6
184.05426	1.7
185.02377	3.0
187.03902	10.3
191.03343	4.5
193.01413	2.0
195.02896	2.0
201.01781	5.8
203.03365	12.9
204.04129	1.6
207.02936	4.4
213.01767	7.3
215.03329	10.7
217.05077	2.2
219.02888	4.6
227.03357	1.9
229.01349	5.4
230.02119	2.6
231.02861	45.2
231.04996	3.2
232.03621	4.4
237.05455	2.8
241.01314	6.1
243.02887	2.3
245.04431	3.1
247.02356	9.1
253.05119	1.8
255.02861	3.6
257.00818	3.5
258.99606	3.2
259.02362	54.2
260.02884	3.7
265.04965	4.0
271.02432	3.1
273.00250	2.0
275.01877	19.6
276.02585	20.9
277.03391	100.0
278.03802	5.2
281.04608	3.0
285.00494	3.5
285.03583	1.8
287.01736	1.8
287.07013	3.2
293.04434	4.8
297.03717	2.2
300.99899	2.1
301.03772	1.9
302.05823	1.7
303.01334	40.1
303.06274	3.1
304.01697	1.9
305.04382	3.3
307.06061	2.7
309.03842	3.0
311.05640	2.4
313.03564	2.3
315.01443	2.6
315.06537	1.9
317.04391	1.7
319.05850	4.9
321.03922	4.4
323.01968	3.1
323.05505	2.2
327.06393	3.6
329.04688	2.6
331.06055	3.7
333.03961	3.8
334.04593	1.8
335.01962	2.6
335.05646	4.7
337.03375	4.4
339.01132	2.6
339.05081	3.8
341.03241	2.2
343.06033	5.2
345.03870	4.0
347.05606	4.2
348.75522	2.1
349.03473	4.2
351.01208	2.2
351.05057	4.0
353.03210	2.5
355.05780	3.6
357.03705	1.9
357.07635	1.9
359.05511	3.9
361.03348	4.5
363.04840	3.9
365.02969	6.9
367.04782	5.6
371.05402	6.9
373.03333	5.3
375.04941	5.9
377.02698	5.4
377.06839	3.2
379.00470	2.2
379.04681	4.8
381.02603	5.6
383.04922	5.5
385.03119	3.5
387.04919	9.1
388.05487	1.8
389.02380	8.1
389.07095	2.7
391.00284	2.0
391.04611	5.3
393.02222	3.6
395.03925	3.3
397.03082	3.7
399.04907	6.2
403.04306	8.6
405.02283	3.8
406.99820	2.0
407.04260	2.9
409.01935	4.7
411.04587	5.4
415.04474	8.3
416.05112	2.9
417.01794	3.1
417.06244	5.2
419.03928	7.1
421.01254	2.0
423.04532	4.9
424.04245	1.9
427.04269	9.9
428.04825	3.2
429.01483	2.9
429.06113	5.9
431.03836	7.1
433.06015	3.6
435.03723	3.8
437.01605	5.8
439.03015	17.0
440.03055	1.9
441.06229	2.7
443.03992	11.3
445.05600	5.3
447.03394	6.8
448.03976	2.5
449.05164	3.3
451.03024	8.4
453.00665	5.8
453.05722	3.2
455.03320	5.8
457.05383	4.9
459.03445	6.4
460.04395	1.8
461.05060	5.5
463.02655	8.5
464.03888	2.5
465.01144	5.0
467.03217	4.0
469.04230	9.1
471.03378	10.3
473.05005	6.7
475.02783	6.5
477.04306	6.9
479.03000	5.1
481.03967	4.9
483.03415	5.4
485.05511	3.5
487.02893	5.9
489.04556	8.6
491.02051	2.3
493.03873	14.0
495.02158	7.0
499.02881	4.9
501.04758	9.6
502.04852	2.6
503.06412	2.9
505.03958	12.8
507.06219	12.1
509.03082	7.5
511.05228	9.9
512.03809	2.0
513.04944	3.3
515.02679	2.1
517.04059	11.7
519.05701	30.3
520.05756	3.0
521.03265	10.2
523.05078	12.5
527.02966	3.3
529.03943	19.6
531.05573	11.0
533.02997	8.6
535.05084	34.3
537.02710	8.0
541.03198	2.5
543.05109	2.7
545.03241	12.1
546.04883	2.4
547.05298	30.1
548.05255	3.6
549.04529	3.4
551.04559	2.5
553.05823	8.3
555.05267	2.4
557.03821	2.5
559.05023	13.6
560.04950	2.7
561.02380	18.1
563.04895	8.6
565.05688	5.1
567.05713	2.2
571.05157	5.3
573.02643	14.5
577.06329	11.6
579.04089	4.9
581.05353	4.6
583.05487	8.0
585.03656	3.4
587.05005	3.9
589.06250	9.1
591.03809	4.8
595.06451	5.1
597.05182	2.4
601.06036	16.9
602.06146	2.5
603.04724	2.3
607.06769	3.1
609.05261	2.3
613.06561	8.2
615.04254	3.9
619.06519	4.9
627.03461	2.9
631.07172	11.8
649.08209	7.5
657.04449	3.7
663.05878	2.8
675.05475	4.8
693.07043	2.3
711.07758	3.7
729.08221	4.4
730.70105	1.8
832.88312	1.9
1049.10742	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	1086.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01859	9.0
81.03429	4.9
81.74004	2.3
85.02901	3.9
91.75349	2.4
93.40961	2.7
94.01973	2.4
95.01327	6.1
97.02909	5.2
125.02343	4.9
131.04951	3.3
143.03389	9.7
147.04283	2.4
153.01822	100.0
153.02924	7.6
157.02898	2.9
159.89964	2.4
181.06448	2.9
187.03941	7.5
191.03342	3.0
201.01761	3.0
203.03389	8.6
213.01855	5.6
213.05605	2.3
215.03339	6.1
221.05986	2.8
225.03844	3.6
229.01337	3.9
231.02873	26.9
237.05481	4.7
240.21977	2.7
241.01302	6.6
249.05470	6.0
259.02390	47.4
265.04971	4.2
269.04373	3.9
273.00281	3.5
275.01825	4.9
276.02713	4.2
277.03400	93.1
281.04510	4.9
285.00275	2.9
287.01657	3.8
289.03421	4.6
293.04333	4.9
297.03900	5.8
299.01816	10.4
300.99792	4.9
301.03360	3.3
302.00781	2.6
303.01300	29.0
305.04257	5.6
305.92590	3.4
309.03802	4.0
311.01825	2.9
311.05447	2.7
313.03430	11.9
315.01370	24.1
315.04736	3.8
325.03262	5.1
327.01273	9.9
328.99286	11.1
329.02798	5.3
333.04062	3.4
337.03510	8.5
339.01346	14.1
339.04971	5.0
340.99353	3.5
341.02991	7.7
349.03363	7.8
351.05038	2.9
353.02893	12.5
355.00735	3.5
355.04565	8.1
361.03323	6.1
362.04233	4.3
365.02844	12.9
367.04501	22.4
369.02203	4.7
377.02896	16.6
379.04416	7.8
381.02356	8.5
383.03922	8.2
389.02652	3.4
391.04279	5.6
393.02380	8.5
395.04047	29.8
396.04605	4.1
397.01523	3.0
405.02280	6.2
407.03943	15.2
411.03427	20.0
419.03741	6.1
421.01794	5.0
423.03394	35.6
433.05975	3.1
435.03842	15.6
437.05078	7.7
447.03766	8.9
449.05127	6.6
453.04675	6.2
461.04849	3.9
465.04596	27.2
477.04431	8.3
489.04495	13.5
507.05579	10.9
525.06250	11.3
543.07288	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	109.0288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01605	0.3
51.02379	0.6
53.00311	0.2
53.03946	13.5
54.04277	0.5
55.01620	0.3
55.01873	3.7
55.05507	0.4
56.96569	0.3
65.03940	0.7
67.04247	0.5
67.05500	3.1
68.05038	0.3
68.98288	0.5
69.07063	0.2
71.30241	0.2
79.05499	1.7
80.05018	0.3
81.03416	100.0
81.07044	2.3
82.01452	0.2
82.03748	2.9
82.06575	1.3
83.06109	0.5
86.00954	0.2
86.99342	0.5
91.05475	0.4
93.04530	0.3
94.04195	0.6
98.97586	0.2
99.04482	0.4
100.02476	0.6
104.01973	0.3
105.00384	0.9
107.04965	0.2
109.02877	28.3
109.06528	1.6
109.07642	1.4
109.08405	0.3
109.10149	1.3
110.03171	1.0
110.06042	4.7
110.07175	0.5
118.03506	0.3
122.02988	0.3
123.01393	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0288
Annotation	p-Benzoquinone
Peak:m/z	Relative Intensity
50.01609	0.2
51.02381	0.7
53.03947	11.6
54.04285	0.3
55.01871	0.6
55.05510	0.6
56.05039	0.2
60.12863	0.2
64.08487	0.2
65.03934	0.6
67.04257	0.4
67.05501	3.8
68.05027	0.6
69.07053	0.2
71.33014	0.2
76.99385	0.2
79.05485	1.0
80.05019	0.3
81.03415	100.0
81.07054	1.9
82.03747	2.9
82.06579	2.2
83.06106	1.2
86.10890	0.2
86.99345	0.2
92.05058	0.2
93.04536	0.8
93.28840	0.2
93.93667	0.2
94.04181	0.4
100.02482	0.2
105.00378	0.3
107.08595	0.3
109.02875	24.9
109.06531	0.9
109.07655	2.1
109.08398	0.3
109.10152	1.1
110.02130	0.2
110.03197	1.2
110.05318	0.3
110.06033	4.5
110.07143	0.9
125.52538	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0652
Annotation	o-Cresol
Peak:m/z	Relative Intensity
53.03946	5.1
53.98717	0.5
55.01863	1.2
55.05508	11.9
65.03944	6.0
66.04776	0.5
67.05506	100.0
68.05836	3.0
69.07063	7.0
71.12727	1.0
73.41553	0.6
79.05492	18.3
80.06275	1.4
81.03418	6.3
81.07059	37.2
82.07401	1.3
91.05476	3.0
94.04177	2.9
94.07851	1.3
105.07018	1.0
107.04921	0.9
107.08584	3.9
109.02893	2.6
109.06522	46.4
109.10155	38.6
110.06094	1.2
110.06871	2.1
110.10500	1.7
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
50.98481	0.9
52.57260	0.7
53.03943	2.7
53.14906	0.7
53.76519	0.7
55.05508	11.2
58.08011	0.8
65.03938	5.9
67.05502	100.0
67.38540	0.7
68.05023	1.5
68.05837	3.1
69.07063	5.6
70.99057	0.7
71.32421	1.0
79.05493	11.4
80.04995	0.9
80.06271	1.8
81.03419	1.8
81.07052	32.7
82.06590	4.8
82.07377	1.1
91.05486	1.7
94.04165	1.3
94.07816	1.5
107.08582	3.4
109.04847	1.0
109.06525	4.0
109.07637	9.6
109.08459	2.8
109.10149	35.3
110.06042	22.7
110.06654	0.4
110.06804	0.7
110.10461	1.9
115.52140	0.7
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
50.72398	0.5
50.93385	0.5
53.03944	4.0
53.04445	0.5
55.01866	1.1
55.05244	0.9
55.05507	10.7
64.06168	0.5
65.03940	5.4
67.05499	100.0
68.05841	2.9
69.07066	7.0
70.51536	1.4
74.63135	0.6
79.05487	14.9
80.06261	1.7
81.03411	2.9
81.07049	35.5
82.06584	1.6
82.07384	2.0
91.05466	6.8
94.04174	4.9
94.07842	1.7
107.04974	1.6
107.08600	3.4
109.02852	0.7
109.06513	10.7
109.07253	0.6
109.07650	1.6
109.10149	38.4
110.06040	4.5
110.10492	1.7
110.67866	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.8
53.82080	0.5
54.04287	0.7
55.01883	1.2
55.05508	11.1
65.03938	6.1
66.04714	0.7
67.05499	100.0
68.05829	3.1
69.07058	6.8
71.32470	0.7
79.05486	18.8
80.05820	0.7
80.06272	1.1
81.03413	10.3
81.07050	40.0
82.06566	1.5
82.07373	1.6
90.11399	0.5
91.05476	8.8
91.06046	0.6
94.04177	9.3
94.04743	0.8
94.07816	1.4
95.04959	1.0
107.04947	3.6
107.08591	3.8
109.02901	3.0
109.06512	20.8
109.07613	2.4
109.10146	36.9
110.03640	1.4
110.06026	3.4
110.06767	0.9
110.10483	1.8
119.22536	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03947	1.4
55.05510	11.7
60.48610	0.4
65.03944	5.3
66.00508	0.4
67.05502	100.0
67.22636	0.5
68.05016	0.4
68.05836	3.3
69.07063	6.7
77.38996	0.5
79.05489	12.2
80.05836	0.4
80.06276	1.2
81.03406	1.1
81.07055	32.6
82.06573	1.7
82.07383	1.3
91.05473	1.4
94.07815	1.3
98.22524	1.0
107.08614	3.0
107.42361	0.4
109.06520	4.3
109.07656	2.2
109.10152	35.8
110.06036	5.7
110.10487	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03949	3.0
55.01873	0.8
55.05511	12.2
56.05846	0.4
60.05361	0.2
62.43913	0.2
65.03944	5.8
66.04713	0.3
67.05503	100.0
68.05839	3.1
69.07062	6.4
69.40540	1.0
70.07412	0.2
76.49693	0.2
79.05490	12.2
79.11793	0.2
80.05858	0.4
80.06278	1.7
81.03413	5.3
81.07054	33.8
82.03763	0.2
82.06581	0.5
82.07374	1.5
84.12259	0.2
86.46114	0.2
88.90321	0.2
90.18491	0.2
91.05476	2.7
91.45118	0.2
94.04186	2.6
94.07825	1.7
95.04955	0.3
98.22732	0.3
105.07034	0.8
107.04963	0.8
107.08592	3.6
108.08884	0.3
109.02876	1.5
109.06521	4.6
109.07664	0.6
109.10151	39.4
110.06032	1.9
110.10500	2.3
115.44913	0.2
119.06116	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
51.02132	0.2
51.02384	0.3
53.03948	1.9
55.05511	10.9
55.16180	0.2
56.05849	0.3
60.57837	0.2
65.03944	4.3
66.04303	0.2
66.04704	0.4
67.05502	100.0
68.05833	3.1
69.07065	6.2
69.29027	0.2
69.74789	0.6
70.07417	0.2
79.05491	10.7
80.05842	0.4
80.06261	1.6
81.03421	2.9
81.07053	32.6
82.07368	0.9
91.05476	1.7
94.04179	0.4
94.07831	1.2
95.04964	0.2
105.07043	0.5
107.05016	0.2
107.08601	3.4
108.08952	0.2
109.02880	0.7
109.06509	2.6
109.10152	35.2
110.06060	0.6
110.06812	0.3
110.10493	1.8
119.06035	0.2
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
52.66432	0.3
53.00298	0.4
53.03948	2.2
55.05512	11.0
56.05852	0.4
58.51358	0.3
61.85687	0.2
65.03944	5.2
67.05503	100.0
68.05836	2.6
69.07067	6.7
71.31687	0.3
73.62065	0.3
79.05490	11.6
80.05856	0.4
80.06276	1.6
81.03426	2.2
81.07056	33.2
82.07377	1.2
91.05474	2.7
93.06149	0.4
94.04169	2.0
94.07813	1.5
105.07018	0.6
106.16849	0.3
107.04958	0.8
107.08597	3.0
109.02869	0.8
109.06515	6.2
109.07647	0.6
109.10154	35.3
110.06067	1.3
110.10487	2.1
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
52.12587	1.0
53.03939	3.4
53.45583	1.2
55.01876	8.7
55.05511	22.8
55.93523	1.7
56.96566	2.1
65.03944	40.0
67.05511	2.7
68.02641	4.6
68.19643	1.2
68.99799	6.8
69.03429	16.8
69.07070	2.0
70.06589	3.9
70.77233	2.1
70.94254	1.1
70.95856	3.1
79.01851	1.5
79.15033	1.2
79.31379	1.2
82.05327	1.6
83.04989	15.2
83.06114	1.8
84.08154	5.6
91.05473	1.8
93.03406	8.6
93.07058	3.8
96.02117	8.4
97.93488	1.2
100.89371	1.2
111.00806	2.4
111.04443	100.0
111.05624	3.5
111.08060	3.0
111.09193	3.4
112.03983	2.7
112.04835	3.7
112.07607	22.2
112.08776	1.5
112.40950	1.3
121.03984	4.4
127.34338	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	112.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84883	0.2
60.63175	0.2
67.01862	0.3
68.05027	1.0
69.03429	2.2
69.04565	0.3
70.02962	1.3
70.06587	100.0
70.94234	0.3
71.06921	2.6
71.23637	0.3
71.94088	1.7
84.08143	0.6
85.07671	0.3
95.01328	0.5
95.02467	1.1
95.06087	1.5
96.00840	0.7
96.04499	0.8
107.89578	0.2
112.03994	0.5
112.05094	2.7
112.05852	0.4
112.07601	2.7
112.08715	1.6
113.02372	7.4
113.03503	1.5
123.65400	0.2
134.46413	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0236
Annotation	3-FUROIC ACID
Peak:m/z	Relative Intensity
50.06996	0.2
53.00321	0.2
55.01871	0.6
55.05508	0.9
56.96566	0.5
57.03435	1.1
57.07075	1.9
58.06614	0.2
65.03941	4.7
67.01868	0.2
67.05503	31.2
68.05026	1.0
68.05834	1.0
69.03430	4.7
69.07063	1.4
70.02962	0.4
70.03776	0.3
70.06590	0.2
71.04994	5.0
71.31443	0.1
71.31873	0.3
71.94107	2.0
71.95252	1.1
72.08154	0.4
72.93790	12.0
79.05478	1.1
83.01358	0.8
83.04962	0.4
84.08124	0.2
85.02900	0.2
85.06539	3.7
86.06068	0.7
88.48489	0.1
89.95148	0.3
90.94829	4.5
95.01328	100.0
95.04962	9.3
95.08603	0.5
96.00980	0.2
96.01659	3.4
96.04491	0.3
96.05300	0.3
96.08140	0.4
97.06532	0.3
100.94373	0.2
108.95892	0.9
110.75082	0.1
110.95187	0.2
113.00048	0.3
113.02364	13.1
113.03497	0.6
113.06006	6.3
113.07932	0.3
113.09613	0.4
113.10744	0.3
113.96408	0.7
114.02696	0.5
114.05527	1.1
114.06285	0.3
114.09167	6.9
131.00247	0.2
131.97429	0.5
132.79163	0.2
134.69766	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0601
Annotation	1,4-Cyclohexanedione
Peak:m/z	Relative Intensity
53.00319	1.2
55.05509	5.9
57.03436	1.6
57.07079	84.2
58.07416	3.4
64.21386	1.0
65.03950	10.4
67.05506	100.0
68.05831	3.0
69.07066	3.7
71.04992	18.1
71.32578	1.2
72.05328	1.2
72.93797	3.1
74.42406	0.9
85.06544	28.0
86.06936	1.2
87.22469	0.8
95.04975	29.3
95.80898	0.9
96.05287	1.5
113.06010	20.2
113.06737	1.4
114.09179	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	113.0964
Annotation	4-Hepten-2-one
Peak:m/z	Relative Intensity
53.03938	2.5
54.51932	0.7
55.01867	2.4
55.05509	21.3
56.05823	0.8
57.03446	4.0
57.07094	1.7
58.06592	1.0
65.03931	4.9
67.05502	86.8
68.05012	2.2
68.05827	3.9
69.03448	0.7
69.07066	32.0
69.39969	3.4
69.40376	1.2
70.02960	0.8
70.07380	0.9
71.01332	1.4
71.04993	5.9
71.94102	2.4
72.93790	26.8
77.40778	0.7
79.05489	3.2
80.06265	1.0
83.04983	2.0
86.06059	1.5
90.94823	6.6
91.05485	1.9
93.07039	14.2
95.01302	1.4
95.04969	5.3
95.08603	100.0
95.40047	0.8
96.04488	0.9
96.08128	1.7
96.08938	4.4
113.02349	5.4
113.03475	1.2
113.06001	16.3
113.09642	7.7
113.96381	0.8
114.05513	2.3
114.09165	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	1137.6552
Annotation	Unknow
Peak:m/z	Relative Intensity
82.06584	0.8
84.04530	0.6
84.08138	100.0
85.08468	1.6
86.09701	87.2
87.10026	1.4
90.77702	0.5
91.05460	1.2
97.06526	0.6
97.07651	10.4
97.20275	0.5
98.06048	98.1
98.09691	1.2
99.06374	1.5
100.11251	2.2
103.05449	1.5
112.07597	14.2
115.08681	23.6
116.07083	28.6
117.07414	0.5
118.06555	0.6
120.08097	20.8
121.08442	0.6
127.08669	6.0
129.06577	2.4
130.08604	0.8
132.10237	1.5
137.07095	0.7
139.08707	1.5
140.07054	7.1
142.09755	5.3
143.08139	2.4
143.11816	1.4
144.06555	4.2
145.13380	0.7
146.06000	1.0
154.08606	1.1
155.08138	11.1
162.07617	8.3
167.15498	1.0
171.07675	2.0
171.11386	1.1
172.06071	0.6
172.11284	1.8
173.09238	4.2
174.12808	2.5
180.10178	10.5
181.13383	0.6
183.14926	7.4
186.07359	0.6
186.12691	2.8
189.12366	1.4
190.08592	0.6
194.11806	1.1
195.43863	0.5
208.13345	2.5
209.12929	1.1
210.16013	19.1
210.17926	1.0
211.14412	8.1
211.16212	0.7
216.13960	1.6
222.15891	0.6
225.12416	2.1
225.16022	1.9
228.17053	21.6
234.14946	1.1
237.12483	1.2
238.15559	1.7
239.13922	0.6
240.17146	1.0
254.15118	0.6
256.16522	7.3
258.13443	1.1
266.15079	1.5
268.16547	35.2
269.11420	0.8
269.17059	1.2
284.16492	0.6
286.17563	6.4
297.15842	0.9
298.14206	1.4
305.23483	0.5
316.14893	0.7
336.19162	0.8
341.18628	5.0
349.22598	1.7
350.20685	14.5
354.20377	2.5
355.20401	1.6
359.19604	13.4
360.20193	0.9
365.21826	0.9
367.23376	11.4
368.23788	0.7
370.21390	1.1
372.21176	2.7
373.21396	2.6
377.20660	8.0
379.23370	3.9
387.19339	2.1
392.22913	1.1
393.21310	1.0
405.20123	4.4
405.23947	0.4
410.23798	4.5
411.23203	0.5
448.29379	0.8
456.24692	2.6
466.30408	1.7
472.28186	0.7
476.27786	1.4
478.30518	1.4
480.31909	1.5
484.24313	4.6
498.26047	1.4
502.25677	0.5
504.27283	0.7
505.31372	0.7
506.30310	0.9
516.27344	2.0
521.31030	1.5
523.32355	4.7
529.30066	1.5
531.28314	0.9
541.26373	5.6
559.27563	5.4
587.34149	2.3
609.36383	0.8
615.33600	4.8
634.38983	3.8
654.34863	11.5
655.35144	0.9
658.34515	1.8
672.35852	5.9
769.41241	2.4
771.42114	0.9
783.42456	0.8
814.43701	1.3
870.49701	1.5
882.49365	4.2
893.48450	0.6
894.53986	0.9
927.52319	1.0
1006.56122	1.3
1007.55560	1.2
1024.57092	12.1
1025.57703	2.3
1026.61987	0.7
1109.64014	0.6
1119.64136	2.1
1120.63135	2.1
1137.65540	18.2
1138.65430	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	1155.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03411	5.4
83.13499	0.9
85.02912	0.9
85.48597	1.0
86.94320	1.0
89.03919	7.4
91.05479	2.7
93.03420	2.0
95.04979	3.7
98.22658	1.0
99.04446	1.1
103.05483	2.8
103.98615	0.9
105.03403	1.4
107.04948	7.3
109.02901	3.5
111.00809	14.2
111.04445	12.3
115.05419	1.8
117.03372	3.7
117.07004	1.2
119.04974	1.9
121.02897	3.2
123.04427	76.8
124.04773	1.9
127.03917	85.4
129.07063	1.4
131.04924	5.4
133.06538	1.3
135.04416	80.1
136.04762	1.9
137.02344	6.9
137.05945	1.4
139.03905	48.2
141.07005	2.0
145.02846	1.7
145.06454	1.7
147.04401	10.6
149.02341	10.1
149.06056	2.8
150.03096	1.2
151.03912	16.6
153.01802	1.8
153.06964	1.3
155.04871	4.6
159.04428	5.3
161.02406	1.9
161.05951	4.7
163.03905	67.4
164.04286	2.9
164.25903	0.9
165.01830	1.3
165.05511	5.4
165.06934	2.0
167.03404	6.3
169.04997	2.6
169.06523	3.5
171.04501	1.7
173.05957	7.2
175.03932	4.4
177.05479	11.0
179.03391	12.3
181.05022	1.9
181.06493	2.2
183.04492	3.1
185.06030	1.9
187.03874	10.3
189.05521	3.9
190.02509	1.0
191.03389	14.4
193.04982	2.9
197.06013	4.4
200.04796	1.1
201.05455	14.5
203.03372	19.3
203.07112	1.9
205.04947	4.1
207.06474	1.6
209.06053	1.1
213.05455	5.4
215.03392	4.9
215.07098	3.5
217.04980	4.1
223.02438	2.6
225.05502	3.3
227.03357	1.6
227.07120	1.4
229.04953	16.4
231.06523	4.1
233.04411	6.5
237.05431	1.5
241.04933	4.9
243.06503	5.7
245.04459	100.0
246.04877	4.3
247.06021	67.2
248.06369	2.0
249.05534	1.7
253.05058	4.2
255.06537	3.9
257.04446	20.0
258.05145	3.5
259.05972	12.5
261.07651	3.0
263.05496	2.1
265.05051	1.8
267.06619	2.3
269.04422	8.0
271.06012	38.6
271.08939	2.2
273.07388	2.4
274.04694	6.5
275.05475	27.9
276.05774	1.5
281.04416	2.0
282.05127	1.1
283.05994	11.1
285.03961	3.7
285.07526	1.8
286.04779	1.8
287.05469	33.9
288.05740	1.3
289.07037	36.7
290.07352	1.9
291.08636	16.8
295.06033	4.8
297.04007	4.1
297.07394	1.6
299.05533	5.2
301.07022	11.4
303.05258	1.3
303.08807	2.0
307.05975	2.3
309.04150	2.1
309.07617	1.8
311.05563	3.1
313.07123	3.9
317.08008	2.2
319.06021	1.4
323.05417	4.5
333.07535	1.7
337.07230	1.4
339.08871	1.4
345.07391	2.1
351.04974	1.2
361.07025	2.5
363.04681	1.6
363.08795	1.5
365.06369	2.0
377.06604	2.7
379.08066	7.2
383.07690	1.6
389.06522	3.7
391.08075	5.7
393.06299	3.2
395.07693	2.9
396.08777	1.0
397.09253	10.7
403.07846	1.2
405.05988	3.1
407.07593	34.2
408.07803	2.7
409.09149	33.6
410.09506	2.3
411.10855	3.2
416.16507	1.1
419.07690	7.9
421.09109	2.8
425.08780	13.1
426.08859	1.7
427.10208	14.4
431.08060	1.8
433.09311	5.2
437.08795	12.3
439.10107	2.5
449.08463	6.1
451.10214	6.5
517.11316	4.4
527.09595	2.4
535.12457	2.2
541.11023	2.8
545.11041	2.3
559.12415	2.6
569.10486	1.4
571.12402	2.3
577.13208	4.5
579.14893	10.0
587.12195	1.8
589.12640	1.3
604.57141	1.3
679.13617	1.4
695.13354	1.5
697.15393	4.0
804.96509	1.1
833.16003	1.2
834.93396	1.3
862.60791	1.2
930.06195	1.1
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	L-Proline
Peak:m/z	Relative Intensity
52.91509	0.1
58.06593	0.1
61.16194	0.1
68.05027	0.3
69.81265	0.2
69.81664	0.2
70.06593	100.0
71.06321	0.2
71.06922	2.8
71.07277	0.2
76.87347	0.1
85.88071	0.1
98.06048	0.2
98.07172	0.3
98.22646	0.2
101.55869	0.1
116.07095	7.5
116.10749	0.2
117.07409	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10611	0.1
63.46797	0.1
68.05032	0.4
70.06590	100.0
70.17242	0.4
71.04980	0.1
71.06313	0.2
71.06920	2.9
81.03439	0.1
82.91855	0.1
98.06057	0.2
98.07151	0.2
98.09751	0.2
106.61474	0.1
116.07090	7.6
116.10671	0.2
117.07442	0.3
134.28500	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01589	3.2
51.02383	11.8
53.00307	0.9
53.03946	85.4
54.04272	2.7
54.73204	0.8
55.01868	3.9
62.98118	0.7
65.03931	3.1
67.05502	1.0
67.95021	0.7
68.99783	0.8
69.52728	4.3
77.03507	1.1
77.03928	20.9
78.04703	0.8
79.05504	6.2
81.03410	10.1
85.83790	0.7
90.30659	0.7
91.05477	74.9
93.07034	3.6
95.04964	97.8
96.05276	4.3
98.23291	1.3
103.05479	7.8
104.06238	8.3
105.04514	46.0
106.04828	1.4
115.05471	3.5
116.05743	1.4
117.07010	19.1
118.06541	100.0
119.06102	1.5
119.06876	6.5
119.08573	64.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	4-Ethynylaniline
Peak:m/z	Relative Intensity
51.75568	0.7
53.03936	5.8
55.05511	5.5
56.96545	0.9
58.06595	4.4
59.04989	2.9
59.07388	3.8
59.93083	1.5
61.02914	1.6
65.03935	6.2
69.64320	4.6
70.06583	1.1
70.18333	0.8
72.08154	1.4
73.02909	2.2
76.93362	10.0
82.98714	0.7
83.08620	2.2
88.28230	0.7
91.05476	88.6
92.05797	2.9
94.94388	3.6
95.04967	5.7
103.05473	1.1
104.06223	0.9
105.04501	2.7
116.05774	1.8
117.05767	7.7
117.07040	2.9
117.96026	1.2
118.06538	100.0
118.08636	10.1
118.96788	1.0
119.04956	2.8
119.06067	1.8
119.06883	4.9
119.08569	8.2
127.24704	0.7
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	10.2
53.03946	84.3
54.04289	2.9
55.01851	5.1
58.06598	9.3
59.07393	4.1
65.03939	5.5
70.89725	4.8
77.03928	13.3
79.05486	4.6
79.62645	2.3
81.03411	11.5
82.51560	2.3
89.45410	2.1
91.05475	100.0
93.07053	5.0
95.04962	95.9
96.05305	3.2
102.38879	2.2
103.05429	4.8
104.06250	7.3
105.04518	39.6
115.05453	4.1
116.05811	7.2
117.07041	13.2
118.06539	90.6
118.07331	9.2
118.08648	10.3
119.06065	6.4
119.06871	7.1
119.08572	50.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0653
Annotation	Indole
Peak:m/z	Relative Intensity
50.01600	3.0
51.02381	10.8
53.03946	91.1
54.04274	2.8
55.01872	3.6
55.09515	1.3
58.06593	3.7
59.07387	1.4
62.60219	1.3
65.03937	3.0
71.32369	2.6
77.03925	17.6
81.03426	7.3
91.05476	64.7
92.05820	3.1
95.04965	99.9
96.05298	5.4
104.06257	1.7
105.04517	46.0
116.05776	10.2
117.07031	7.7
118.06546	100.0
118.07339	10.4
118.08669	5.2
119.04948	2.4
119.06110	3.3
119.06885	5.5
119.08557	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	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
50.01596	2.8
51.02388	9.4
53.03949	85.7
54.04281	1.5
55.01873	4.7
57.59800	1.3
59.04997	2.9
59.78594	1.1
65.03944	10.1
76.93359	3.3
77.03929	17.5
79.05484	3.1
81.03413	10.1
84.50167	1.2
91.05484	73.8
92.05835	1.4
95.04970	87.0
96.05299	3.8
98.23437	2.1
103.05476	2.9
104.06286	3.0
105.04524	42.0
106.04844	1.7
115.05446	2.3
116.05818	2.7
117.07029	10.4
118.06547	100.0
118.07178	3.6
118.08666	3.6
119.04963	10.1
119.06099	2.2
119.06840	6.5
119.08590	23.5
120.54723	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0653
Annotation	Indole
Peak:m/z	Relative Intensity
50.01590	2.2
50.64039	1.0
51.02378	11.7
51.18191	1.0
52.27813	0.9
53.03944	93.0
54.04262	3.4
55.01857	4.7
57.56343	0.9
58.06569	0.9
62.57002	1.1
65.03912	2.3
68.99802	1.3
70.60340	2.2
77.03925	22.4
77.38236	1.2
78.04259	1.2
79.05507	2.0
81.03404	8.1
82.03748	1.1
83.62859	0.9
89.90027	1.0
91.05477	34.8
91.24714	1.1
93.07029	2.0
95.04963	99.6
96.05293	4.1
103.05444	5.2
104.06239	4.3
105.04511	48.2
106.04823	1.1
115.05451	3.0
117.07018	7.4
118.06532	100.0
119.06886	6.8
119.08575	35.8
126.01321	1.1
133.94571	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
50.01598	2.6
51.02389	11.4
53.03949	100.0
55.01871	4.5
58.06601	5.1
65.03939	3.3
65.10365	2.0
70.66109	4.5
77.03931	15.9
79.05492	3.9
81.03408	12.2
91.05481	89.9
93.07065	4.0
95.04971	93.0
96.05289	3.8
103.05484	7.1
104.06249	8.7
105.04518	45.4
115.05439	2.2
116.05816	2.4
117.07014	12.5
118.06548	89.9
118.07291	4.6
118.08669	6.5
119.06060	3.7
119.06848	5.0
119.08583	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	118.0653
Annotation	Indole
Peak:m/z	Relative Intensity
50.01589	3.2
51.02383	11.8
53.00307	0.9
53.03946	85.4
54.04272	2.7
54.73204	0.8
55.01868	3.9
62.98118	0.7
65.03931	3.1
67.05502	1.0
67.95021	0.7
68.99783	0.8
69.52728	4.3
77.03507	1.1
77.03928	20.9
78.04703	0.8
79.05504	6.2
81.03410	10.1
85.83790	0.7
90.30659	0.7
91.05477	74.9
93.07034	3.6
95.04964	97.8
96.05276	4.3
98.23291	1.3
103.05479	7.8
104.06238	8.3
105.04514	46.0
106.04828	1.4
115.05471	3.5
116.05743	1.4
117.07010	19.1
118.06541	100.0
119.06102	1.5
119.06876	6.5
119.08573	64.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0865
Annotation	Betaine
Peak:m/z	Relative Intensity
58.06596	42.4
59.07379	39.0
60.07707	0.5
71.28553	0.6
72.08153	0.8
81.34773	0.3
82.41024	0.3
83.73938	0.3
118.08648	100.0
119.08985	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	118.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.8
55.15462	0.2
56.96564	0.2
58.06600	42.1
59.05010	0.5
59.07382	42.4
60.07719	0.8
60.08173	1.8
68.46347	0.2
69.03440	0.3
70.06597	0.7
70.51530	0.7
72.08159	2.5
87.04453	0.3
91.05491	0.6
118.08653	100.0
118.12284	3.6
119.08247	0.4
119.08998	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	119.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
60.71148	9.9
67.70921	11.3
70.06985	42.6
72.83060	10.7
73.67567	10.8
73.80241	10.9
89.51569	22.4
90.80871	11.0
91.05500	41.2
98.22623	16.2
101.00850	24.8
101.02419	14.9
119.01900	100.0
121.00778	18.1
130.07585	12.0
137.02951	40.9
139.01819	57.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88289	2.8
55.48287	2.9
56.05023	10.1
58.06590	12.2
58.65253	3.0
59.06924	15.9
59.07374	14.7
60.04509	3.4
60.07726	18.6
65.03933	13.7
69.78110	3.1
71.32030	4.3
74.06059	13.2
89.89182	3.6
91.05479	100.0
92.05006	7.8
92.05804	4.8
101.00865	7.6
103.05460	8.8
119.01920	60.7
119.04919	11.7
119.06062	14.7
119.09029	68.0
120.04477	8.7
120.05592	18.8
120.08092	13.8
120.08967	3.7
121.00774	4.6
137.02946	30.1
139.01787	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	119.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	15.7
65.03946	4.3
65.08815	4.0
66.22254	3.6
67.05499	4.0
69.58945	19.8
69.59322	7.5
77.00797	3.9
82.99841	3.4
91.05471	39.2
92.02516	3.6
98.22602	3.4
98.97602	6.1
100.02481	3.9
101.00879	29.8
101.88443	3.7
102.00977	4.0
116.44287	3.3
119.01915	100.0
119.03574	11.8
119.04950	5.5
120.02034	5.1
124.24858	3.7
137.02933	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	119.0493
Annotation	Benzofuran
Peak:m/z	Relative Intensity
53.03941	1.0
63.48917	0.6
64.49490	0.4
65.03940	24.2
69.51938	3.2
79.05507	0.6
82.28455	0.5
83.64941	0.5
84.05272	0.5
91.05479	100.0
92.05811	5.0
95.05009	0.7
98.23347	0.9
103.05458	0.8
112.03461	0.5
117.07011	1.3
119.04939	31.2
119.08544	2.3
120.04494	0.6
120.05349	2.1
120.08075	1.8
120.56567	0.5
129.04495	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03937	2.8
56.93789	1.5
65.03934	9.2
65.69591	1.5
69.27888	12.3
69.35370	1.3
79.05486	6.8
86.56786	1.3
89.55116	1.6
91.05477	100.0
92.05007	2.7
92.05798	4.4
93.07036	4.8
95.04950	4.0
102.09156	2.1
103.05466	10.4
104.06263	9.8
105.04502	2.0
115.05437	6.8
117.07017	26.2
118.07439	1.6
119.04945	4.3
119.06076	5.7
119.08574	52.4
120.04475	2.8
120.05555	8.8
120.08076	9.3
120.08887	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	119.0856
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03932	4.3
58.06583	1.1
62.95454	0.9
65.03942	5.3
69.40179	2.4
69.40581	4.8
78.04674	2.4
79.05486	7.9
80.41668	0.9
91.05474	100.0
92.05826	4.8
93.07051	5.4
95.04962	3.2
95.58511	1.0
102.09174	2.1
103.05460	12.7
104.05660	1.4
104.06255	14.1
105.04512	1.8
107.15420	1.0
115.05466	7.4
117.07014	20.6
118.07334	1.5
119.06087	2.6
119.08570	89.3
120.05595	3.7
120.08098	3.1
120.08920	7.4
120.10209	1.3
125.50886	1.0
130.60291	1.0
130.85632	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.02378	0.6
51.40137	0.5
53.03947	4.6
54.04278	0.5
61.48413	0.6
62.01572	0.4
65.03934	5.0
67.05516	0.6
68.64957	0.4
69.49029	2.4
74.06104	0.5
77.03891	0.8
78.04703	2.0
79.05493	9.6
91.05476	100.0
92.05807	4.8
93.07033	6.8
93.44287	0.5
95.04963	4.5
102.04688	1.0
103.05466	15.1
103.06158	0.8
104.06252	16.1
105.04537	1.7
105.07092	0.9
109.06509	0.9
115.05461	7.1
116.05746	0.5
117.07017	21.2
118.07359	1.3
119.08575	98.3
120.05592	0.5
120.08097	2.3
120.08914	6.7
127.16560	0.5
135.74521	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.8
53.03944	3.3
59.05004	1.0
65.03942	5.2
70.62962	0.8
70.63276	0.9
78.04710	1.5
79.05490	5.8
91.05479	100.0
92.05809	4.3
93.07049	4.6
95.04974	3.3
96.05276	0.9
100.07613	0.6
103.05459	12.1
104.05685	0.9
104.06263	10.2
105.04525	1.4
105.06532	0.6
115.05452	5.8
117.07021	23.8
118.07341	1.9
119.04932	3.8
119.06844	2.1
119.08578	63.1
120.05709	0.6
120.08132	1.1
120.08919	5.3
121.06451	1.0
131.06082	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	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.02370	0.8
53.03940	4.4
65.03943	5.3
67.05496	0.5
71.31540	0.7
77.03908	1.1
78.04704	2.1
79.05042	0.7
79.05494	10.1
80.05816	0.5
91.05479	99.2
92.05811	4.9
93.07043	6.3
95.04957	4.2
96.05303	0.6
102.04676	0.6
103.05468	12.9
104.05602	0.7
104.06258	14.1
105.04546	2.5
105.06602	0.9
109.06519	0.9
111.15398	0.4
115.05459	6.7
116.28576	0.3
117.07020	22.7
118.07339	1.8
119.08578	100.0
120.05623	0.4
120.08078	0.8
120.08903	7.3
121.06478	0.4
121.36816	0.4
131.06029	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
50.03674	0.3
51.02376	0.7
53.03945	2.9
54.04276	0.3
55.01882	0.3
55.44188	0.3
64.41490	0.3
65.03941	4.6
67.05511	0.4
71.11709	0.3
77.03927	1.2
78.04688	1.5
79.05489	7.3
80.05850	0.5
91.05479	100.0
92.05812	5.9
93.07036	7.1
95.04969	3.7
96.05306	0.4
102.04650	0.7
103.05466	14.7
104.06260	13.2
105.04531	1.9
105.06465	0.4
105.07076	0.6
106.04848	0.3
109.06513	1.2
115.05448	7.8
116.05776	0.5
117.07018	43.4
118.07336	2.8
119.06085	1.4
119.08577	78.4
120.05563	0.3
120.08897	5.7
121.06457	0.4
131.06053	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46984	0.3
51.02370	0.5
53.03953	2.8
53.72598	0.3
65.03945	4.0
69.37360	2.6
70.57905	0.3
70.78851	0.3
77.03919	0.8
78.04692	0.9
79.05492	7.6
81.07475	0.4
91.05480	100.0
92.05809	5.2
93.07045	7.4
95.04966	3.4
98.22533	0.4
102.04653	0.6
103.05469	16.7
104.06260	13.9
105.04516	1.2
105.06597	1.1
109.06509	1.3
115.05452	9.1
117.07019	48.2
118.07348	3.5
119.06074	1.4
119.08579	66.9
120.08914	4.5
121.06497	0.8
131.06058	0.9
137.28195	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.02382	0.4
52.46943	0.3
53.03944	3.5
65.03941	4.4
66.04275	0.3
67.05523	0.4
70.55182	0.7
77.03915	0.9
78.04696	1.7
79.05489	7.5
79.66445	0.3
79.81258	0.3
81.03416	0.5
91.05475	100.0
92.05802	5.6
93.07040	7.6
94.07398	0.5
95.04969	4.0
95.76225	0.3
96.05285	0.3
102.04707	0.6
103.05462	15.8
104.06256	13.6
105.04522	1.7
105.06532	0.4
109.06496	1.0
115.05447	8.1
117.07013	39.8
118.07330	2.5
119.08572	77.7
120.08067	0.5
120.08899	5.5
121.06538	0.6
131.06047	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.4
55.05512	100.0
56.05016	1.3
56.05842	3.3
59.04997	3.4
61.02911	1.2
63.64513	0.8
63.64863	0.9
65.03941	7.7
69.12026	1.0
71.30368	1.5
74.06060	1.7
79.05485	2.8
82.62406	0.9
83.08621	26.7
84.08955	1.2
86.41530	0.9
91.05481	67.8
92.05003	1.6
92.05811	2.8
93.07027	1.8
95.04898	1.2
97.00801	0.9
103.05467	8.3
104.06252	1.6
109.06528	1.0
115.05445	2.6
115.27184	1.0
117.07010	6.2
119.04919	2.7
119.06087	4.4
119.06846	1.4
119.08579	20.3
120.04478	3.2
120.05584	12.2
120.08106	9.1
120.08914	1.7
132.94502	0.9
139.01866	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.9
53.03944	4.7
56.67010	0.4
59.04997	1.4
62.84919	0.4
65.03940	0.9
70.89220	0.7
77.03924	1.6
79.05496	1.5
80.05029	1.1
91.05480	10.1
92.05791	0.6
92.97842	0.4
93.06448	0.8
93.07043	16.3
94.06554	0.8
94.07350	0.8
95.04974	4.7
102.04682	1.2
102.29779	0.4
103.05466	100.0
104.05792	5.7
105.04494	2.2
118.06544	1.5
119.07321	1.5
120.08102	95.1
121.02869	0.5
121.06491	1.2
121.08448	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	121.0285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49283	0.4
51.02374	0.9
53.03939	2.1
55.01872	3.7
65.03936	76.7
66.04270	2.2
67.05501	0.6
68.61631	0.4
68.99792	2.5
69.03436	0.9
69.74034	1.5
69.74442	0.9
70.34366	0.5
71.01355	3.0
73.43931	0.5
75.07104	0.5
78.04757	0.5
79.01865	1.5
79.05486	3.3
80.05027	1.3
83.01332	0.9
83.49625	0.5
91.05473	4.1
93.03406	2.4
93.07027	3.6
94.04162	0.6
94.06577	0.8
95.04974	2.1
97.02869	0.5
98.23329	0.4
103.05486	1.7
105.04526	1.1
105.07030	4.9
106.07841	0.5
107.07317	3.5
109.02905	1.4
111.04434	28.9
112.04772	1.6
121.02883	100.0
121.03992	43.1
121.06419	3.9
121.10163	1.9
122.03218	5.6
122.04333	1.5
122.06024	2.4
122.09648	6.8
122.10424	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0286
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41849	0.5
53.03939	2.6
55.01866	2.6
65.03938	89.8
66.04265	2.8
66.04705	0.8
67.05508	0.9
68.99760	0.7
69.03415	0.6
69.09160	4.1
78.04714	0.7
79.01861	0.6
79.05492	3.5
80.02637	0.9
80.05035	1.0
91.05482	5.0
93.03397	12.3
93.04405	0.5
93.05770	0.7
93.07039	3.9
94.04202	1.1
94.06594	1.0
95.04968	1.6
98.03677	3.2
103.05476	2.4
104.04939	0.5
105.04504	0.6
105.07031	6.6
107.07325	5.0
111.04441	11.2
111.05170	0.9
112.03967	1.1
121.02878	100.0
121.03983	26.3
121.06459	4.1
121.10149	1.5
122.03165	5.2
122.04347	0.7
122.06016	3.5
122.09658	9.1
131.58870	0.5
133.07678	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.6
53.03951	8.3
55.01870	3.6
55.05514	3.1
62.27659	0.6
65.03941	93.6
66.04263	3.0
67.05507	2.7
68.99791	0.5
69.41747	4.0
77.03936	1.9
78.04701	0.7
79.05494	22.3
80.02625	1.4
80.05833	0.6
80.06393	0.6
81.03412	0.9
81.07075	1.7
86.46852	0.7
91.05481	25.0
92.05849	1.1
93.03403	11.4
93.07042	34.6
94.07379	1.5
95.04975	7.2
98.03693	2.5
103.05466	9.0
105.04543	4.2
105.07034	32.6
106.07868	1.7
107.07335	8.6
111.04446	13.6
119.08542	4.1
120.05721	0.8
121.02892	100.0
121.03998	29.6
121.06496	11.1
121.10139	14.5
122.03223	5.5
122.04396	0.8
122.05994	0.6
122.09677	7.6
122.10496	0.9
123.08088	2.3
128.45792	0.6
133.07646	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01610	0.8
53.03949	9.9
55.01868	4.8
55.05501	3.3
55.50327	0.7
59.01511	0.6
65.03941	83.8
66.04261	1.8
66.04710	0.8
67.05502	1.8
68.99782	3.3
69.03422	1.0
71.01348	2.0
71.32735	1.2
77.03946	2.3
79.01880	1.2
79.05492	23.3
80.05815	0.8
81.03423	1.6
81.07047	1.2
91.05478	26.5
92.05820	1.1
93.03407	2.8
93.07046	32.0
94.07391	1.4
95.04974	7.6
103.05478	9.0
105.04542	4.4
105.05089	0.8
105.07027	29.4
106.07257	1.2
106.07875	1.7
107.07327	2.0
109.02912	1.1
111.04446	29.5
112.04782	1.3
119.08583	3.4
121.02872	100.0
121.03979	42.8
121.06496	17.4
121.10136	17.1
122.03170	6.1
122.04311	2.0
122.05998	1.1
122.09663	2.5
123.08078	1.3
133.07611	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	121.0286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	1.3
53.03952	5.9
55.01866	5.1
55.05507	2.5
59.00088	0.6
65.03942	80.2
66.04287	2.6
67.05499	0.9
68.99789	2.4
69.03416	0.6
69.57877	0.5
70.68496	1.3
71.01353	2.1
74.45699	0.7
76.60724	0.6
77.03934	1.3
78.04690	0.6
79.01878	1.2
79.05494	18.6
81.03428	1.0
81.07059	0.6
83.01346	1.2
90.79988	0.6
91.05483	17.1
92.05806	1.5
93.03401	2.0
93.05800	0.7
93.07043	22.2
94.07375	0.6
95.04967	7.1
97.02938	0.9
102.04660	0.6
103.05476	7.5
105.04543	2.6
105.07030	25.6
106.06693	0.7
106.07867	1.6
107.07336	4.7
109.02896	1.6
111.04446	30.3
112.04772	1.0
119.08621	3.5
121.02895	100.0
121.04002	40.0
121.06479	8.6
121.10134	11.1
122.03226	5.7
122.04238	1.1
122.06054	1.3
122.09682	5.2
122.10458	0.7
123.08097	2.5
133.07634	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	1.1
51.02381	2.9
53.03947	35.1
54.04222	0.6
55.01871	4.1
65.03937	6.0
66.04700	1.0
67.05505	5.7
70.71815	1.6
77.03920	6.7
78.04704	1.1
79.05489	8.8
81.03413	4.6
85.85326	0.8
91.05479	81.8
91.77840	0.7
92.05801	3.3
93.07041	71.5
94.04180	1.8
94.06566	2.4
94.07384	4.2
95.04963	36.1
96.05301	1.4
102.04670	2.2
103.05466	100.0
104.05795	4.5
105.04512	17.6
105.07035	2.6
106.04851	0.8
107.07357	1.4
111.04457	0.8
119.04967	0.7
121.02895	4.9
121.06503	92.8
121.10125	2.9
122.06002	1.2
122.06824	6.2
122.09663	1.1
131.80719	0.7
133.59947	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.065
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.01598	1.0
51.02383	3.0
53.03944	23.9
54.04277	0.8
55.01868	4.4
55.05500	1.5
55.21120	0.4
59.54740	0.4
62.05026	0.4
65.03934	10.4
67.05505	3.2
70.66267	0.5
71.30459	0.4
75.23297	0.5
77.03921	5.2
78.04692	1.1
79.05489	17.0
80.04997	0.5
80.05833	0.5
80.06249	0.5
81.03418	3.9
91.05476	66.5
92.05807	3.5
93.03418	0.5
93.07039	65.1
94.06580	0.7
94.07371	3.9
95.04963	32.9
96.05293	1.0
96.11652	0.5
102.04682	2.3
103.05461	100.0
104.05790	6.0
105.04515	16.6
105.07023	18.8
105.07725	0.8
106.04210	0.6
106.04862	0.6
106.06612	0.6
106.07862	1.1
107.07336	8.0
111.04428	2.5
119.08599	2.1
121.02873	10.1
121.04038	3.5
121.06498	74.2
121.10126	9.0
122.06017	0.9
122.06796	3.5
122.09657	8.4
122.10464	0.5
123.08078	1.3
133.07542	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.065
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
51.02373	3.8
53.03947	33.3
54.04276	1.0
55.01872	7.7
55.05509	1.7
56.85254	0.8
65.03940	44.9
66.04722	1.0
67.05170	1.5
67.05503	19.5
68.99770	1.0
69.01846	9.4
70.43432	0.8
77.03922	7.2
78.04713	2.3
79.01916	0.9
79.05488	12.2
81.03414	4.5
91.05479	85.5
92.05811	5.0
93.03413	5.0
93.07043	71.3
94.04201	2.8
94.06553	10.9
94.07369	3.6
95.04966	42.2
96.05255	1.4
102.04710	2.2
103.05466	100.0
104.05817	6.3
105.04519	17.2
105.07033	6.7
106.04829	1.0
107.07323	4.6
111.04418	6.3
111.08117	1.0
118.06501	0.8
121.02867	40.3
121.03983	13.3
121.06503	87.8
121.10127	4.3
122.03185	1.7
122.06017	7.3
122.06853	5.4
122.09665	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
51.02372	2.7
53.03705	1.2
53.03948	19.4
54.82330	1.1
55.01869	5.7
55.05516	9.8
65.03938	40.8
66.04256	1.1
66.04711	1.3
67.05499	7.1
71.15458	2.2
77.03903	4.0
78.04697	1.5
79.05489	65.0
80.05005	1.1
80.05815	3.0
80.06246	1.2
81.03420	2.0
81.07046	3.7
91.05476	61.3
92.05800	2.9
93.03413	2.1
93.07042	100.0
94.07355	5.5
95.04966	23.9
103.04784	1.5
103.05465	31.1
104.05791	1.6
105.04533	9.5
105.07026	73.1
106.07217	2.0
106.07928	5.6
107.07338	20.8
107.08034	0.9
111.04446	11.6
119.08551	9.5
121.02863	44.6
121.03976	21.6
121.06496	22.4
121.10136	45.9
122.03168	2.8
122.06008	3.5
122.06879	1.9
122.09670	23.2
122.10503	4.0
123.08060	5.2
133.07620	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	121.1014
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
50.01595	0.7
51.02366	1.2
52.66415	0.7
53.03947	13.6
55.01868	3.7
55.05501	3.5
60.08306	0.7
65.03942	37.0
66.04282	1.2
66.04700	1.1
66.43772	0.7
67.05502	2.3
68.99783	1.0
71.32436	1.2
75.04812	0.9
77.03930	3.4
77.69062	0.8
78.04713	2.2
79.01771	0.6
79.05491	52.7
80.05829	2.0
80.34911	0.7
81.03416	1.3
81.07067	1.6
84.37983	0.7
91.05477	31.8
92.05796	1.6
93.03429	1.1
93.06444	1.7
93.07042	36.7
94.04215	0.9
94.07367	1.4
95.04971	13.8
103.05466	20.6
105.04530	8.4
105.07028	100.0
106.07295	3.1
106.07933	5.8
107.04955	32.5
107.05679	1.6
107.07312	4.9
111.04438	10.3
119.08569	15.4
121.02872	42.8
121.03982	18.7
121.06509	23.5
121.10141	49.2
122.03197	2.7
122.04347	1.1
122.05986	2.0
122.07320	6.7
122.09666	7.3
122.10506	2.7
123.08051	8.5
133.07607	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	121.1014
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02378	3.7
53.03950	27.3
55.01864	4.8
55.05506	9.0
57.02554	1.4
65.03941	88.4
66.04261	3.7
67.05494	9.3
68.99786	2.2
71.01350	2.5
71.34411	1.5
71.34753	1.7
77.03931	5.0
78.04710	6.1
79.01865	2.1
79.05491	70.8
80.04960	1.4
80.05826	1.6
81.03434	3.7
81.07055	4.0
87.48016	1.4
91.05481	78.7
92.05824	3.7
93.03413	4.2
93.07045	100.0
94.04160	1.6
94.07383	3.8
95.04966	24.5
103.05470	34.1
105.04533	15.0
105.07029	83.4
106.04171	3.0
106.06706	1.7
106.07281	2.9
106.07872	4.1
107.07336	29.6
109.02889	1.9
111.04442	20.3
119.08565	11.9
120.39153	1.6
121.02874	96.2
121.03987	37.0
121.06513	57.2
121.10139	44.6
122.03219	5.5
122.06061	3.4
122.06874	3.6
122.09666	28.0
122.10448	2.1
123.08078	6.6
125.03927	1.5
133.07620	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	121.1015
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02374	2.2
52.91913	0.8
53.03947	18.6
55.01871	4.5
55.05513	5.4
65.03943	33.1
66.04279	1.0
67.05497	2.9
68.99820	1.1
70.25683	1.7
70.26075	1.6
77.03925	3.0
78.04706	2.8
79.05494	51.6
80.05030	0.9
80.05821	2.6
81.03402	1.7
81.07051	3.1
88.52075	0.8
91.05479	42.5
92.05810	2.6
93.03442	2.0
93.07043	56.0
94.04187	1.3
94.06564	0.9
94.07370	2.4
94.81532	0.8
95.04967	17.5
103.05467	26.4
104.05788	1.1
105.04531	8.9
105.07028	100.0
105.70137	0.9
106.07302	3.5
106.07826	5.7
107.07343	15.1
111.04450	7.1
111.39596	0.8
119.08568	12.1
121.02864	31.8
121.03982	13.3
121.06506	29.7
121.10142	43.8
122.03223	1.8
122.06025	2.2
122.06834	1.8
122.09686	19.0
122.10502	3.2
123.08083	7.8
133.07632	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	121.1015
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
50.01590	1.1
51.02375	2.0
53.03951	10.1
55.01861	1.7
55.05508	1.1
61.73680	0.5
65.03944	11.5
67.05502	0.7
70.42271	0.8
71.01301	1.6
77.03928	2.4
78.04752	0.8
79.05497	42.0
80.05016	0.6
80.05846	1.3
81.03400	1.1
81.07071	1.1
81.26052	0.6
81.58284	0.6
91.05491	20.6
92.05806	0.7
93.03414	0.7
93.06456	1.1
93.07050	21.3
94.04196	0.7
94.07368	0.6
95.04971	11.0
103.05476	25.5
104.05769	0.9
105.04537	4.0
105.07034	100.0
106.07330	3.8
106.07838	4.9
107.04961	26.6
107.05695	1.3
107.07360	1.2
111.04446	3.4
119.08590	14.1
120.05759	0.9
120.08926	1.2
121.02879	12.7
121.03994	6.4
121.06520	13.5
121.10150	46.5
122.06002	0.7
122.07330	5.6
122.09709	1.3
122.10490	3.1
123.08083	9.3
124.08406	0.7
133.07623	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	121.1013
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02354	2.2
53.03946	21.6
55.05505	8.3
55.18710	1.6
65.03930	7.8
67.05489	4.8
67.83779	1.6
69.55273	3.7
69.55689	6.1
77.03911	2.7
79.05489	68.7
79.05954	3.4
80.05022	2.5
80.05824	2.7
80.06281	2.2
81.07066	3.7
89.73233	1.9
91.05473	58.2
92.05802	3.1
92.34126	1.8
93.07035	100.0
94.07386	4.6
95.04952	20.8
103.05460	22.7
105.04513	7.5
105.07023	95.8
106.07236	2.4
106.07822	7.0
107.07299	2.9
111.04430	2.4
119.08582	13.8
121.02859	5.7
121.04009	2.8
121.06507	6.4
121.09277	3.1
121.10136	43.4
122.06017	5.3
122.09630	9.1
123.08073	6.7
133.07625	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	123.0441
Annotation	Tropolone
Peak:m/z	Relative Intensity
50.01601	1.3
51.02376	6.2
53.03938	8.7
55.01863	3.3
55.05511	0.9
64.46167	0.9
65.03928	3.5
67.05497	16.5
71.32542	1.0
77.03925	12.8
78.04710	15.8
79.05476	1.9
80.05004	4.2
81.03416	2.0
81.07053	10.8
85.79955	1.1
87.16494	0.9
87.85048	0.9
92.39442	0.8
95.04963	19.4
95.08595	2.5
96.04494	5.6
96.05337	1.0
96.08148	1.0
99.31414	0.9
100.02478	1.6
101.00872	10.8
105.03381	16.5
105.04520	4.2
106.04195	2.1
106.07435	0.8
107.04976	1.2
108.05724	2.0
112.03952	4.2
118.78715	0.9
119.01914	56.6
123.04424	100.0
123.05492	8.0
123.08064	3.3
123.09185	2.9
123.09995	1.8
123.11683	1.2
124.03941	11.7
124.04808	3.9
124.05190	3.8
137.02950	25.3
140.03412	1.7
142.03468	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	123.0442
Annotation	Tropolone
Peak:m/z	Relative Intensity
50.01593	1.3
51.02378	5.5
53.03947	8.7
55.01865	1.9
55.05307	0.4
55.05509	4.3
57.07068	1.9
65.03945	2.1
67.05503	21.4
68.05008	0.5
68.05825	0.8
69.07056	1.4
70.63195	1.3
77.03931	14.6
78.04295	0.5
79.05492	9.9
80.05005	2.0
81.03411	1.7
81.07056	45.3
82.07379	1.2
91.05457	0.6
93.07024	2.2
95.04969	17.5
95.08022	0.9
95.08603	10.7
96.04483	1.5
96.08112	0.9
96.08910	0.6
100.02480	0.6
101.00898	3.2
105.03397	14.6
105.04472	4.5
105.07020	1.2
106.03696	0.6
106.04878	0.6
106.06551	0.5
106.07342	0.6
107.04970	1.1
108.05745	2.4
108.07659	0.6
108.09332	0.5
112.03978	2.1
119.01919	14.9
121.06476	0.4
121.10152	0.8
123.04429	100.0
123.08044	8.2
123.10017	1.4
123.11694	6.9
124.03934	4.2
124.04784	4.2
124.07591	1.9
124.08372	0.5
137.02953	4.8
142.03511	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0442
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
50.01593	0.4
50.28630	0.3
51.02372	1.4
53.03688	0.5
53.03946	9.8
55.01871	1.1
55.05511	2.5
57.07069	1.5
59.09964	0.4
65.03941	0.7
67.05506	9.2
69.03431	0.4
69.07065	1.2
69.29962	2.6
76.20753	0.4
77.03913	2.6
79.05491	100.0
80.05022	1.4
80.05821	5.4
81.03416	1.6
81.07053	32.4
82.07409	1.0
88.75362	0.4
91.05448	0.6
93.07046	1.7
95.04965	12.1
95.08600	9.2
96.04483	1.9
96.05367	0.6
96.08968	0.4
101.00883	2.2
103.05447	0.4
105.03392	17.6
105.04468	4.0
105.07015	0.7
106.03706	1.2
106.07329	0.6
108.05744	2.7
108.06931	0.4
108.07674	1.1
112.03990	1.1
119.01919	8.3
121.10168	0.4
123.04432	9.8
123.05554	2.2
123.08080	4.7
123.09081	0.8
123.10014	1.4
123.11699	5.9
124.03957	3.5
124.04794	0.8
124.07606	0.5
124.12049	0.6
132.70049	0.4
137.02956	2.7
142.03496	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0443
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
51.02372	1.8
53.03950	5.8
55.01873	8.4
55.05505	1.2
57.07077	0.8
64.84283	0.5
65.03942	12.9
67.05502	47.7
68.05830	1.3
68.99789	20.2
69.07047	0.5
70.00118	0.5
70.56726	1.0
77.03931	6.6
78.04697	0.5
79.05496	2.7
81.03401	1.4
81.07054	10.8
93.07057	0.7
95.04965	19.7
95.08626	3.0
96.05277	0.6
98.22677	0.7
101.00838	1.0
105.03379	4.2
105.04504	2.5
108.05745	0.7
119.01932	2.9
123.04425	100.0
123.08031	3.0
123.11721	1.4
124.03954	0.9
124.04732	5.1
137.02945	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0441
Annotation	Tropolone
Peak:m/z	Relative Intensity
50.01579	0.8
51.02373	5.3
53.03944	6.2
55.01860	1.3
55.05490	0.6
65.03943	1.6
65.04214	0.3
67.05501	10.4
68.05014	0.3
68.05807	0.3
71.33975	0.4
74.10514	0.3
77.03922	11.0
78.04266	0.7
79.05486	1.5
80.05013	1.5
81.03409	0.9
81.07046	6.2
95.04960	12.9
95.08588	1.7
96.04501	1.5
96.05231	0.3
101.00863	2.2
105.03387	13.4
105.04474	3.2
106.03699	0.6
106.07338	0.4
108.05733	0.8
108.07648	0.4
112.03947	1.1
119.01204	0.3
119.01910	12.6
123.04417	100.0
123.07973	1.6
123.09988	0.5
123.11699	1.2
124.03922	3.0
124.04764	5.6
124.07582	0.4
135.38327	0.3
137.02939	4.1
137.03795	0.4
140.03467	0.5
142.03497	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	1.1
51.02380	6.5
53.03946	7.6
54.04285	0.4
55.01875	2.2
55.05522	3.2
57.07064	1.2
65.03945	3.1
66.92111	0.3
66.93699	0.3
67.05502	19.5
68.05838	0.6
68.57427	0.3
68.99790	1.4
69.07059	0.9
69.21082	2.2
69.21497	0.6
77.03927	14.0
78.04263	0.5
79.05494	6.2
80.05013	0.9
80.05811	0.6
81.03413	1.4
81.07055	30.6
82.07381	1.2
87.52422	0.3
93.07044	1.7
95.04971	14.5
95.08609	7.4
96.04479	0.8
100.02486	0.4
101.00882	1.3
105.03395	14.8
105.04480	4.8
105.06966	0.7
106.03716	0.7
107.04933	0.4
108.05726	1.8
108.09315	0.4
112.03943	0.7
119.01929	5.1
121.10167	0.4
123.04428	100.0
123.08052	6.9
123.11691	4.6
124.03934	1.7
124.04774	4.5
124.08397	0.5
137.02968	1.5
140.03430	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0807
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
50.01590	0.5
51.02376	1.8
53.03947	6.6
55.01869	4.0
55.05513	10.8
57.07081	3.2
65.03944	6.0
67.05505	58.4
68.05016	0.5
68.05827	2.7
68.99788	4.1
69.03423	1.4
69.07064	2.4
71.31350	0.7
76.01994	0.5
77.03923	3.0
78.04713	0.7
78.68494	0.5
79.05493	29.0
80.05026	2.2
80.05831	1.4
80.06275	2.4
81.03419	1.8
81.07058	83.5
82.07391	3.5
90.04672	0.8
91.05511	3.4
93.07045	9.4
94.07851	0.6
95.04971	14.8
95.08607	61.2
96.04493	3.1
96.05294	0.7
96.08939	3.3
100.02481	0.8
101.00881	3.5
103.05481	3.0
105.03396	2.2
105.04504	3.0
105.07028	18.1
106.07381	1.4
107.04956	13.8
108.05742	74.7
108.07701	1.9
108.09381	0.7
109.02887	0.8
109.06075	3.3
112.03971	3.0
118.03561	0.7
119.01924	16.0
121.06514	12.0
121.07170	0.3
121.10139	0.9
122.06788	0.7
123.03661	0.6
123.04444	27.3
123.05539	4.2
123.08070	100.0
123.11693	11.5
124.03978	7.0
124.04848	1.3
124.07589	1.6
124.08413	7.1
124.12070	1.3
125.06009	1.9
135.05490	0.7
137.02946	6.2
140.03441	1.5
142.03508	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0807
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.5
51.02376	1.8
53.03947	6.6
55.01869	4.0
55.05513	10.8
57.07081	3.2
65.03944	6.0
67.05505	58.4
68.05016	0.5
68.05827	2.7
68.99788	4.1
69.03423	1.4
69.07064	2.4
71.31350	0.7
76.01994	0.5
77.03923	3.0
78.04713	0.7
78.68494	0.5
79.05493	29.0
80.05026	2.2
80.05831	1.4
80.06275	2.4
81.03419	1.8
81.07058	83.5
82.07391	3.5
90.04672	0.8
91.05511	3.4
93.07045	9.4
94.07851	0.6
95.04971	14.8
95.08607	61.2
96.04493	3.1
96.05294	0.7
96.08939	3.3
100.02481	0.8
101.00881	3.5
103.05481	3.0
105.03396	2.2
105.04504	3.0
105.07028	18.1
106.07381	1.4
107.04956	13.8
108.05742	74.7
108.07701	1.9
108.09381	0.7
109.02887	0.8
109.06075	3.3
112.03971	3.0
118.03561	0.7
119.01924	16.0
121.06514	12.0
121.07170	0.3
121.10139	0.9
122.06788	0.7
123.03661	0.6
123.04444	27.3
123.05539	4.2
123.08070	100.0
123.11693	11.5
124.03978	7.0
124.04848	1.3
124.07589	1.6
124.08413	7.1
124.12070	1.3
125.06009	1.9
135.05490	0.7
137.02946	6.2
140.03441	1.5
142.03508	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0806
Annotation	2,4-Dimethylphenol
Peak:m/z	Relative Intensity
51.02377	1.3
52.21253	0.7
53.03942	8.1
55.01873	3.1
55.05510	26.5
56.05851	0.9
57.07067	4.8
60.46540	0.8
65.03934	4.8
67.05501	100.0
68.05006	0.8
68.05824	4.5
69.03423	1.7
69.07063	3.5
69.07626	8.2
71.98776	0.7
74.07829	0.8
77.03928	2.7
78.04727	0.8
79.05491	37.6
80.05021	3.5
80.05816	1.8
80.06263	3.0
81.03415	2.2
81.07051	89.0
82.07371	4.6
91.05476	4.7
93.07040	20.6
94.07349	0.9
95.04967	13.0
95.08603	92.5
96.04490	3.2
96.08130	1.9
96.08952	5.6
100.02469	0.9
100.15762	0.8
101.00879	5.4
103.05450	0.9
105.03375	5.2
105.04514	2.6
105.07027	9.9
106.07365	2.8
107.04947	4.8
108.05730	27.8
108.07684	2.7
108.09420	1.3
109.06075	1.0
112.03952	2.8
114.89111	0.8
119.01073	1.2
119.01913	22.8
121.06510	3.6
123.04428	17.3
123.05536	3.8
123.08061	55.3
123.09998	2.3
123.11695	22.1
124.03980	9.0
124.04810	1.1
124.07565	2.6
124.08435	3.3
124.12038	1.1
137.02954	6.1
140.03369	0.9
140.40125	0.7
141.50220	0.8
142.03419	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0806
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02372	1.1
51.11990	0.8
53.03946	7.1
55.01870	1.9
55.05513	24.3
57.07070	1.1
65.03940	6.5
67.05504	99.1
68.05021	1.6
68.05835	3.1
71.34155	1.0
77.03922	1.1
78.03437	1.0
79.05483	10.6
80.05014	7.7
80.05817	1.4
80.06261	1.9
81.03419	9.0
81.04539	1.0
81.07059	15.8
82.07404	0.8
83.04968	1.3
91.05480	8.3
93.07039	20.9
95.04966	60.0
95.08604	57.5
96.04489	6.4
96.05305	1.5
96.08935	3.0
100.02475	1.3
101.00875	11.8
105.03392	1.3
105.04523	1.1
105.07045	4.2
106.07333	1.5
107.04953	2.8
108.05748	6.9
108.07658	2.1
112.03967	5.4
118.03475	1.1
119.01915	57.3
123.04446	8.0
123.05559	9.6
123.08064	100.0
123.09982	3.4
123.11691	1.8
124.03950	16.4
124.07592	1.4
124.08411	7.9
137.01884	1.5
137.02945	25.3
137.03940	1.7
140.03426	2.2
142.03496	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	123.0807
Annotation	2,4-Dimethylphenol
Peak:m/z	Relative Intensity
51.02377	2.0
53.03947	5.7
55.01880	1.3
55.05509	13.4
56.05847	0.6
57.07076	5.1
58.79982	0.7
59.82330	0.5
65.03947	4.2
67.05504	46.5
68.05831	1.1
69.03441	1.2
69.07059	3.6
69.71115	3.1
77.03923	2.6
79.05494	23.9
80.05014	1.4
80.05820	1.4
80.06266	1.8
81.03437	1.2
81.07056	100.0
82.07384	4.0
91.05486	2.7
93.07037	8.4
94.07825	1.6
95.04964	9.9
95.08606	43.6
96.04487	1.5
96.08937	1.5
98.23341	0.6
101.00885	2.1
103.05463	1.8
105.03355	1.6
105.04519	1.7
105.07037	10.3
107.04961	5.3
108.05735	28.0
108.09355	1.0
109.06049	0.7
112.03973	1.0
119.01928	7.1
121.06491	2.9
121.10112	1.3
123.04436	13.4
123.05478	1.5
123.08070	65.7
123.11701	19.8
124.03938	3.7
124.08381	4.5
124.12064	1.3
137.02945	1.8
140.03389	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0806
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
53.03946	5.5
54.38576	0.7
55.01870	1.7
55.05509	24.1
56.05856	0.8
57.07076	0.8
57.62353	0.7
59.54224	0.6
62.66461	0.7
65.03943	5.7
67.05502	100.0
68.05836	4.1
69.13722	1.6
69.14132	4.8
77.03938	1.9
79.05491	10.7
80.06294	2.0
81.03420	8.8
81.07053	22.9
91.05473	5.9
93.07043	16.9
94.07335	1.0
95.04337	1.4
95.04964	51.4
95.08603	62.0
96.05305	2.4
96.08958	3.1
98.22616	1.7
101.00873	1.8
103.05472	1.3
105.03379	0.7
105.04507	1.7
105.07011	5.8
107.04946	1.5
108.05132	0.7
108.05743	4.7
118.96851	0.8
119.01923	2.3
123.04449	4.9
123.08064	93.8
123.11705	3.3
124.03922	1.5
124.08393	7.1
126.65363	0.7
137.02934	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.8
53.03943	4.3
55.01873	1.0
55.05511	6.0
57.07076	5.3
65.03944	2.3
65.34035	0.5
66.04723	0.4
67.05505	23.6
68.05843	1.2
69.07063	2.8
69.39246	2.7
77.03934	0.9
79.05492	36.5
80.05019	0.9
80.05833	1.6
80.06267	0.6
81.03420	0.7
81.07054	100.0
82.07387	4.0
91.05479	1.3
93.07039	4.3
94.07831	1.0
95.04958	5.7
95.08605	28.7
96.04539	0.5
96.08940	1.5
101.00875	1.4
103.05505	0.7
105.03393	4.0
105.04505	1.3
105.07028	4.9
106.07394	0.9
107.04971	3.7
108.05735	18.6
108.07704	0.5
108.09379	1.2
109.06084	1.2
119.01910	5.4
121.06509	2.6
121.10129	1.4
123.04433	6.8
123.05479	0.8
123.08069	27.6
123.10005	0.9
123.11700	21.8
124.03965	1.3
124.04809	0.5
124.07584	0.7
124.08421	1.6
124.11990	2.2
137.02953	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.5
55.05519	5.2
57.07076	5.1
65.03941	1.2
67.05507	14.8
69.07065	3.3
69.25050	4.3
69.25473	2.6
70.88483	0.7
79.05493	16.8
80.05007	4.4
80.98232	0.8
81.07053	100.0
82.07388	4.5
93.07040	3.0
95.04977	3.3
95.08610	14.5
96.04504	4.4
96.08953	0.7
98.22649	1.0
101.00894	3.5
105.07059	1.3
108.05736	1.2
108.09381	0.9
112.03979	2.7
119.01919	18.3
121.10133	0.8
123.04543	1.3
123.05569	5.8
123.08102	5.8
123.09167	4.2
123.09996	0.8
123.10787	1.0
123.11695	20.2
124.03944	7.8
124.07598	2.6
124.08688	2.0
124.12034	1.4
137.02966	10.9
140.03418	1.2
142.03500	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Santene
Peak:m/z	Relative Intensity
52.62666	0.4
53.03944	2.3
55.05511	4.3
57.07074	4.3
65.03933	1.1
67.05503	13.1
69.07073	3.1
69.22340	1.6
69.22762	1.6
79.05493	17.7
80.05032	0.6
81.07056	100.0
82.07384	3.9
84.25114	0.4
93.07044	2.6
94.07822	1.1
95.04942	0.9
95.08606	15.2
96.04479	0.5
96.08961	0.7
101.00880	0.9
105.07003	0.5
108.05756	0.7
108.09393	0.8
109.63945	0.4
119.01942	3.0
121.10143	1.5
123.04430	2.0
123.05562	0.6
123.08086	3.1
123.11704	22.0
124.03941	1.2
124.12016	1.9
137.02972	0.8
141.51775	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69254	0.1
58.99842	0.2
62.09252	0.1
69.60359	0.7
82.01429	0.3
82.99834	2.9
83.99911	0.3
100.02478	0.6
101.00877	34.8
102.00945	2.9
111.00409	0.3
118.03508	0.4
119.01917	100.0
120.01997	8.3
120.03124	0.1
121.02336	0.3
124.02443	0.5
124.03993	0.2
124.07731	0.2
137.02953	23.5
138.03064	2.2
139.03363	0.2
142.03494	3.8
143.03584	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
69.46677	0.5
69.47089	0.4
78.29683	0.2
82.01455	0.2
82.99832	3.5
83.01476	0.2
83.99911	0.3
100.02486	0.5
101.00876	37.3
102.00934	2.8
111.00420	0.1
118.03497	0.3
119.01914	100.0
120.01991	8.7
120.03246	0.2
121.02299	0.3
124.02447	0.4
137.02950	23.0
138.03036	2.1
142.03493	3.7
143.03612	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61864	0.2
58.99860	0.6
68.05003	0.3
69.04553	0.8
69.92974	0.7
70.99850	0.8
71.78363	0.2
77.00897	0.3
77.45515	0.2
78.03454	0.3
80.05006	0.7
80.68317	0.2
81.04529	0.8
82.01417	0.2
82.05318	2.5
82.99820	2.5
83.01504	0.2
83.06126	0.2
89.00896	0.3
96.04461	0.9
96.06879	0.4
97.02871	0.3
97.04012	0.2
97.07638	0.2
100.02465	0.6
101.00874	30.1
101.02583	0.6
102.00935	2.6
102.02229	0.7
107.06105	0.2
109.04002	2.3
110.04778	17.4
112.03893	0.3
118.03501	0.5
119.01910	100.0
120.01991	8.9
120.03224	0.3
121.02333	0.5
124.02444	0.7
124.03947	3.2
124.07551	0.2
125.07106	9.9
133.03482	0.3
137.02945	30.0
138.03026	2.6
142.03485	4.0
143.03659	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
60.00645	0.2
70.76620	0.3
82.01443	0.2
82.14311	0.1
82.99838	3.4
83.99938	0.2
92.56695	0.1
97.02879	0.2
100.02472	0.4
101.00881	36.8
102.00948	3.0
102.02232	0.2
111.00436	0.2
117.05798	0.1
118.03501	0.3
119.01920	100.0
120.01995	8.3
121.02340	0.4
124.02477	0.3
124.07626	0.2
137.02957	23.5
138.03047	1.9
139.03392	0.2
142.03497	3.9
143.03662	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0759
Annotation	2-Amino-5-methylphenol
Peak:m/z	Relative Intensity
51.02384	0.3
53.03942	1.8
55.01862	1.1
55.05297	0.3
55.05513	3.0
56.05032	0.4
56.07190	0.3
60.60763	0.3
65.03938	0.8
66.04702	0.3
67.05504	0.8
68.05017	1.6
68.05820	0.5
69.03425	0.9
69.04550	0.3
69.07063	1.0
69.73292	1.4
77.03907	0.4
78.03441	0.5
79.01842	0.2
79.05492	16.7
79.13300	0.2
80.05017	4.8
80.05825	0.8
81.03413	0.4
81.05797	15.8
81.07055	7.7
82.02937	0.4
82.06570	0.9
82.07394	1.0
82.99827	1.4
83.04986	1.3
83.06100	0.9
84.08158	0.3
94.02936	0.4
94.06570	4.4
95.04970	1.5
96.04501	4.8
96.05256	0.7
96.08128	19.9
97.02892	2.4
97.06535	1.0
97.08456	1.2
100.02502	0.3
101.00874	16.7
102.00951	1.5
105.04491	0.6
106.06556	5.7
107.04945	1.1
107.06905	0.3
107.08585	0.6
109.05264	0.8
110.08398	0.3
111.04427	0.3
112.03968	3.4
112.04700	0.4
118.03513	0.7
119.01917	100.0
120.02005	9.0
124.02566	0.4
124.03953	9.4
124.04820	0.7
124.07590	23.6
125.02377	0.6
125.04265	0.4
125.05992	1.2
125.07111	2.0
125.07961	1.1
125.09624	1.0
125.10757	2.8
132.09991	0.2
137.02954	47.4
138.03026	4.3
140.03444	1.3
142.03500	4.9
143.03624	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0598
Annotation	Orcinol
Peak:m/z	Relative Intensity
51.02376	2.4
52.03153	1.5
53.03938	3.2
53.20790	1.5
55.01876	6.3
55.05510	4.4
59.05000	3.7
65.03943	12.4
67.05491	8.1
68.99792	24.6
69.03428	17.2
69.04522	1.2
70.03748	1.4
70.68521	3.8
73.44370	1.1
79.01857	13.5
79.05492	3.6
80.05021	3.7
81.03417	3.1
81.07042	2.1
82.04202	15.0
83.04974	3.9
83.38562	1.2
84.04495	2.7
84.96028	3.8
85.02915	1.3
93.03391	5.6
95.01328	100.0
96.01684	4.1
97.02898	17.8
97.06527	4.5
101.00948	1.4
102.00964	3.7
103.00616	1.6
107.01320	3.7
107.08587	1.6
108.04453	7.2
109.02887	6.7
110.03657	73.7
110.18709	1.3
110.67542	1.2
111.03856	1.5
111.04519	3.0
119.01928	3.6
120.02007	14.5
121.01662	11.8
122.16598	1.3
125.02382	4.0
125.05993	57.3
125.09669	2.5
126.05521	11.9
126.06347	2.8
138.03064	5.5
139.02716	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	125.071
Annotation	Methylimidazole acetaldehyde
Peak:m/z	Relative Intensity
54.03475	0.5
56.05040	0.3
68.05019	0.7
69.04185	0.5
69.04549	5.5
69.74818	0.4
69.75214	0.8
70.06595	0.8
71.05000	0.5
81.03428	0.5
81.04538	4.2
82.05316	13.1
83.03732	0.8
83.05667	0.4
83.06099	1.7
83.99904	0.3
90.12629	0.3
93.04536	0.6
95.06084	1.1
96.06860	1.1
97.04016	0.8
97.05273	0.5
97.07636	0.6
98.06039	1.2
98.23272	0.4
101.00901	0.7
102.00929	2.8
102.02217	0.6
103.00627	2.2
108.75964	0.3
109.03999	15.5
110.04778	100.0
111.04446	0.6
111.05113	3.5
112.47945	0.3
116.94335	0.3
119.01921	2.1
120.02003	11.8
120.03239	0.5
121.01660	8.4
125.07108	52.8
126.05598	0.4
126.06628	4.0
126.07456	2.2
137.02959	0.8
138.03055	4.1
139.02673	2.7
143.03575	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.1
54.90903	2.3
55.01876	10.1
55.05511	56.8
65.00735	2.6
65.03934	9.7
67.05506	5.1
69.03424	26.1
69.07071	9.4
69.64445	15.0
79.01859	11.3
79.05488	37.3
81.07064	25.2
83.04980	100.0
83.08611	6.8
84.05309	4.2
91.05482	33.7
95.05003	3.5
95.08595	2.8
97.02881	6.1
97.06512	15.4
97.10196	3.4
105.07041	18.4
107.01313	4.8
107.08591	74.4
108.08936	7.9
109.06533	6.5
110.07305	3.1
119.06075	4.6
125.02355	4.3
125.05985	4.5
125.09628	81.5
125.10505	4.9
126.05561	3.8
126.09959	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	125.0962
Annotation	2E,4Z-Octadienal
Peak:m/z	Relative Intensity
53.03954	7.1
55.01875	19.1
55.05251	6.2
55.05512	100.0
56.05849	2.8
57.03440	3.6
65.03910	2.9
67.05508	14.9
69.03433	8.3
69.07063	21.3
70.07402	3.1
71.01485	2.5
71.32835	4.3
78.16309	3.2
79.05496	44.7
80.05006	11.2
81.03433	3.9
81.07058	60.6
83.04992	23.7
83.08604	9.1
84.08152	4.5
84.96031	20.8
91.05489	9.9
95.08618	5.5
96.06873	2.7
97.02920	2.9
97.06511	3.2
97.10181	20.8
97.10712	2.9
98.06054	7.8
102.00983	6.4
102.97057	4.5
105.07047	5.7
107.08603	17.3
108.04456	29.8
114.03603	3.0
119.01923	10.5
120.01988	47.0
121.01656	36.2
121.02390	4.8
125.04338	4.6
125.06016	13.0
125.07130	10.3
125.09635	43.7
126.05519	55.5
126.09998	3.7
137.02980	6.2
138.03044	25.4
139.02673	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	125.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.1
54.90903	2.3
55.01876	10.1
55.05511	56.8
65.00735	2.6
65.03934	9.7
67.05506	5.1
69.03424	26.1
69.07071	9.4
69.64445	15.0
79.01859	11.3
79.05488	37.3
81.07064	25.2
83.04980	100.0
83.08611	6.8
84.05309	4.2
91.05482	33.7
95.05003	3.5
95.08595	2.8
97.02881	6.1
97.06512	15.4
97.10196	3.4
105.07041	18.4
107.01313	4.8
107.08591	74.4
108.08936	7.9
109.06533	6.5
110.07305	3.1
119.06075	4.6
125.02355	4.3
125.05985	4.5
125.09628	81.5
125.10505	4.9
126.05561	3.8
126.09959	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	125.0963
Annotation	2E,4Z-Octadienal
Peak:m/z	Relative Intensity
50.52874	2.8
53.03950	3.3
55.01863	11.1
55.05516	43.3
57.03450	3.3
65.03944	5.4
69.03436	20.0
69.07076	9.3
69.99126	11.5
74.27451	3.4
79.05492	27.2
81.07065	23.0
82.07372	4.3
83.04470	4.9
83.04978	100.0
83.08636	7.2
91.05485	34.6
97.06552	10.1
97.10201	3.0
105.07048	14.0
107.08598	68.8
108.04537	5.0
108.08922	4.7
109.06509	4.6
119.06067	6.5
120.02013	5.8
125.09633	71.3
126.05512	6.3
126.10036	5.1
140.21555	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	127.039
Annotation	Hydroxyhydroquinone
Peak:m/z	Relative Intensity
51.02380	1.7
53.00300	3.7
53.03946	37.7
55.01869	12.0
55.05495	3.8
57.03413	2.9
62.34541	1.1
65.03931	2.2
67.01837	2.1
69.03429	77.1
70.03747	2.2
70.14796	1.4
70.15128	2.7
71.01364	2.9
71.04992	7.8
79.05487	1.2
81.03417	90.1
81.04472	2.5
81.07066	2.5
82.03754	2.3
82.06595	9.0
83.01350	4.6
85.02901	5.5
85.05156	1.6
86.06070	5.2
95.01327	2.8
97.02890	9.4
98.03676	1.8
99.04452	11.6
100.07616	4.0
109.02876	100.0
110.03218	6.7
119.01934	4.8
121.01627	1.3
122.03071	1.2
127.03924	26.2
127.04941	1.4
127.07217	1.6
128.03432	1.9
128.07053	4.4
128.08141	2.3
137.02948	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	127.0391
Annotation	Hydroxyhydroquinone
Peak:m/z	Relative Intensity
51.02385	1.9
52.03168	1.0
52.84082	0.8
53.00315	4.5
53.03703	1.7
53.03947	34.2
54.04271	1.1
55.01871	15.1
55.05503	3.2
56.05035	1.3
56.96566	2.7
57.03418	3.3
61.67055	0.8
64.68612	0.8
65.03947	1.5
67.01846	1.5
67.05477	0.9
68.05019	3.7
69.03427	100.0
70.03761	3.3
70.06583	1.4
71.04993	9.5
71.30157	1.8
72.23180	0.8
73.48216	0.9
79.31405	0.8
81.03416	88.0
81.04483	6.1
81.07057	1.7
82.03747	2.9
82.06580	11.7
83.01340	3.3
83.06123	5.4
85.02903	4.2
85.05113	1.1
85.07673	9.1
86.00935	1.3
86.06065	73.4
95.01331	2.3
97.02892	12.4
98.03692	1.9
99.04459	10.7
100.07606	4.2
101.00901	2.5
103.00617	1.9
104.00966	1.0
104.01997	2.3
109.02875	89.4
110.03213	4.0
110.04335	1.1
110.06044	1.8
110.07160	3.9
111.05565	10.5
119.01915	10.9
121.01669	7.8
122.01991	8.4
122.02859	1.3
127.03911	32.5
127.04871	1.9
127.07100	3.0
127.09769	1.7
128.04279	1.3
128.07091	4.6
128.08192	29.3
128.10696	1.4
132.99548	0.9
137.02951	2.7
139.02715	3.1
140.03008	2.3
146.03041	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0391
Annotation	4-HYDROXY-6-METHYLPYRAN-2-ONE
Peak:m/z	Relative Intensity
51.02381	0.3
53.03726	0.3
53.03949	4.8
53.93981	0.4
55.01871	2.6
55.05508	1.6
56.99417	0.3
57.03421	0.8
58.06581	0.5
58.10717	0.2
65.03931	0.5
67.01864	0.9
67.04227	0.4
67.05495	1.0
67.93556	0.3
68.99785	0.5
69.03428	6.4
70.74322	0.7
70.79195	0.3
71.01340	0.3
71.05012	1.3
79.05483	1.1
80.04999	0.5
81.02941	0.6
81.03416	9.1
81.07047	3.2
82.03745	0.3
82.06573	4.6
82.07349	0.3
83.01328	0.3
84.08139	0.2
84.41663	0.3
85.02910	0.3
85.06540	1.5
86.06049	0.9
97.02881	0.5
99.04442	1.2
100.07606	1.4
104.01961	0.3
109.02874	12.2
109.06496	0.9
110.03192	0.8
110.06042	1.0
119.01865	0.4
121.01606	0.4
122.01979	0.3
127.03909	100.0
128.03401	0.6
128.04248	4.5
128.07048	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	127.0756
Annotation	1-Cyclohexenecarboxylic acid
Peak:m/z	Relative Intensity
53.03952	13.5
53.42953	1.0
53.43441	0.8
54.79268	0.9
55.01872	7.0
55.05518	6.9
57.03444	10.1
57.07067	2.7
65.03933	1.8
67.05512	12.8
69.03064	1.9
69.03434	30.5
69.07057	4.2
70.03731	1.3
70.66756	1.1
71.01343	2.9
71.04633	1.6
71.04997	20.0
71.20718	1.6
79.05046	1.9
79.05499	33.5
81.03421	38.1
81.07059	90.1
82.03746	1.9
82.06585	11.0
82.07388	4.5
83.01346	2.7
83.04984	1.3
83.08619	1.4
85.02899	3.2
85.06557	8.0
86.06080	1.9
91.05502	1.1
95.04951	1.3
97.02896	11.0
99.04432	3.7
99.08101	13.3
100.07632	3.1
102.04687	1.1
109.02885	24.5
109.06522	53.4
109.10165	6.0
110.03286	1.0
110.06076	1.4
110.06843	1.8
119.06826	1.0
127.03933	25.2
127.07559	100.0
127.11201	3.8
128.04317	1.6
128.06241	33.6
128.07072	3.7
128.07906	5.8
142.83698	1.0
149.48402	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.1119
Annotation	Sulcatone
Peak:m/z	Relative Intensity
55.05505	36.9
62.03623	14.1
67.05498	66.3
69.07075	71.5
69.14912	60.5
69.15343	63.9
71.04990	32.9
77.59258	13.3
81.07043	16.4
82.06578	33.1
83.08628	30.1
86.06041	68.1
100.07613	20.5
109.10172	100.0
127.03931	26.4
127.07307	19.6
127.13046	13.3
127.44270	16.8
128.03412	15.2
128.06232	27.9
128.14418	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	127.1119
Annotation	Sulcatone
Peak:m/z	Relative Intensity
53.03940	13.1
55.01867	4.8
55.05504	10.6
57.03428	8.9
59.38783	2.3
67.05161	4.7
67.05508	59.7
68.05840	3.4
69.03414	5.8
69.07072	70.7
69.09794	23.5
69.10187	4.1
70.07402	5.8
71.04992	33.7
72.22808	3.4
73.06561	3.5
79.05500	4.9
81.03418	25.0
81.07053	24.9
82.06580	13.7
97.02913	4.4
99.08083	11.2
105.10524	2.5
105.76256	2.6
109.02881	17.2
109.10155	100.0
109.10902	5.6
110.10483	9.0
127.03915	18.4
127.11189	7.5
128.06230	30.8
128.07088	4.4
145.44128	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	128.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.3
58.06574	0.2
58.99847	0.3
60.00651	0.3
67.99892	7.4
68.99951	0.4
69.05820	2.2
82.01432	0.3
82.06576	1.2
82.99829	1.5
86.00932	21.0
86.06075	0.3
86.99329	0.6
87.01012	1.6
99.66895	0.2
100.02468	1.4
101.00878	21.8
102.00948	1.9
104.01970	40.3
105.00360	0.7
105.01054	1.4
105.02055	3.3
108.15150	0.3
111.04468	0.3
118.03526	3.9
119.01918	100.0
120.02004	9.1
121.01637	0.4
121.02391	0.4
122.02070	1.0
122.03001	24.7
123.02119	8.0
123.03076	1.7
124.02471	0.5
124.03376	0.3
127.03540	0.7
128.01958	1.1
128.03421	0.4
128.04317	0.3
128.07076	0.6
136.04552	2.9
137.02956	44.1
138.03053	3.3
140.03046	0.3
140.11717	0.3
141.03114	3.4
142.03474	1.8
145.04625	0.4
146.01205	0.3
146.02969	8.1
147.01466	0.3
147.03104	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	128.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.3
58.06574	0.2
58.99847	0.3
60.00651	0.3
67.99892	7.4
68.99951	0.4
69.05820	2.2
82.01432	0.3
82.06576	1.2
82.99829	1.5
86.00932	21.0
86.06075	0.3
86.99329	0.6
87.01012	1.6
99.66895	0.2
100.02468	1.4
101.00878	21.8
102.00948	1.9
104.01970	40.3
105.00360	0.7
105.01054	1.4
105.02055	3.3
108.15150	0.3
111.04468	0.3
118.03526	3.9
119.01918	100.0
120.02004	9.1
121.01637	0.4
121.02391	0.4
122.02070	1.0
122.03001	24.7
123.02119	8.0
123.03076	1.7
124.02471	0.5
124.03376	0.3
127.03540	0.7
128.01958	1.1
128.03421	0.4
128.04317	0.3
128.07076	0.6
136.04552	2.9
137.02956	44.1
138.03053	3.3
140.03046	0.3
140.11717	0.3
141.03114	3.4
142.03474	1.8
145.04625	0.4
146.01205	0.3
146.02969	8.1
147.01466	0.3
147.03104	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.9
55.05252	2.0
55.05509	35.1
55.93521	2.7
57.07073	8.5
60.05667	2.2
62.58421	1.3
69.03414	6.6
69.07068	21.7
70.06584	6.8
71.04998	8.6
71.32539	2.8
74.09712	4.0
77.05269	1.4
77.20673	1.8
83.06124	2.1
83.08619	31.9
84.04484	10.9
84.08131	24.2
84.08919	2.6
84.11214	1.7
92.99084	1.6
103.05460	5.3
107.92941	1.7
112.07596	13.9
118.83472	1.4
128.06239	3.8
129.07056	2.2
130.06525	100.0
130.08594	5.4
130.15907	10.4
149.65669	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0975
Annotation	4-Guanidinobutanal
Peak:m/z	Relative Intensity
51.03818	0.5
53.22263	0.5
56.05035	2.3
59.26293	0.5
60.05648	13.9
69.03429	1.0
70.06589	100.0
71.04990	28.3
71.06917	3.8
71.16256	1.2
72.05326	0.8
72.08167	0.6
84.04501	26.9
84.08130	11.7
85.02891	1.4
85.04852	1.1
85.88192	0.5
88.07621	1.8
112.07576	3.5
112.08730	5.5
130.05008	2.7
130.08713	1.4
130.09782	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	130.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05649	15.9
65.08567	0.8
67.97715	0.8
69.03423	8.1
69.07052	0.9
70.06590	100.0
71.04992	38.2
71.05387	1.5
71.06937	4.0
71.09257	1.2
72.05316	1.6
84.04502	3.5
84.08134	10.6
84.37846	0.7
88.07636	2.2
93.55733	0.7
102.38476	0.8
112.07600	14.9
112.08726	4.3
115.74330	0.7
130.08635	2.9
130.09778	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	130.0975
Annotation	4-guanidinobutanal
Peak:m/z	Relative Intensity
51.40575	0.7
54.90183	0.7
56.05025	1.3
57.07072	0.7
60.05343	1.4
60.05644	18.7
62.10575	0.7
65.93137	0.7
67.05506	0.9
68.96215	0.7
69.03424	22.6
69.07059	2.4
70.03761	1.0
70.06588	100.0
70.14458	1.5
70.14853	1.2
71.04987	42.6
71.06927	3.6
72.05315	1.4
73.31854	0.7
82.06575	1.7
84.04523	5.6
84.08139	17.2
85.08463	1.0
88.07623	2.6
112.07600	48.8
112.08701	4.3
113.07919	3.5
120.89509	0.7
130.06540	1.9
130.08653	8.4
130.09770	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	130.1591
Annotation	Octylamine
Peak:m/z	Relative Intensity
53.00296	1.4
55.05526	1.1
56.05025	1.1
57.07074	100.0
58.07392	3.5
63.63796	0.9
69.03421	2.6
70.56094	3.0
72.08173	1.4
73.06538	3.0
74.09715	56.7
75.10033	1.4
77.46229	1.2
80.95612	1.2
84.04507	6.5
84.08139	33.8
85.08463	1.9
89.82587	1.1
91.05479	16.0
95.04939	1.5
103.05471	22.2
104.29389	1.2
112.07596	7.7
115.05450	2.1
116.06239	3.8
117.74554	1.2
129.06964	1.9
130.05016	1.4
130.06525	29.1
130.08636	4.1
130.15912	95.5
131.04955	2.8
131.06902	2.4
131.08551	12.6
131.12483	1.0
131.16255	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	131.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
56.88433	0.5
65.03931	0.9
65.78977	0.4
69.30743	2.7
69.31147	0.8
71.87267	0.5
79.02412	0.4
79.70942	0.4
89.03919	0.6
91.05474	100.0
92.05808	5.5
103.05465	12.4
104.05784	0.6
105.07018	1.0
115.05448	10.6
116.06232	33.3
117.05803	1.0
117.06576	2.6
128.06209	1.8
129.07001	18.0
130.07336	1.5
131.08559	90.5
132.08037	0.8
132.08910	7.9
133.06480	1.1
143.06058	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.3
60.05643	1.0
65.03934	2.2
71.33500	1.1
72.08146	3.9
91.05475	100.0
92.05784	5.3
95.04942	3.6
102.04691	1.0
103.05461	66.9
104.05773	5.0
105.04565	1.3
105.07024	1.4
110.66866	0.8
115.05447	14.5
116.06244	31.6
117.05741	2.9
117.07087	2.3
128.06219	2.4
129.07007	12.0
131.04964	7.4
131.05931	1.5
131.06874	3.5
131.08554	53.6
131.16290	0.9
132.08058	5.0
132.08931	3.4
133.06467	1.0
135.39328	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.4
60.05645	0.8
65.03945	0.7
69.52167	2.6
72.08144	2.1
90.90365	0.9
91.05476	100.0
92.05801	5.0
93.95169	0.5
95.04962	1.5
103.05464	29.1
104.05805	2.3
105.07052	1.0
115.05447	13.8
116.06239	37.5
117.05748	1.4
117.06558	2.6
128.06197	2.8
129.07002	14.5
130.06480	0.5
130.07294	1.0
131.04912	2.8
131.06932	1.4
131.08559	52.5
132.08055	1.8
132.08914	4.2
132.87352	0.4
133.06479	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0445
Annotation	Benzoyl cyanide
Peak:m/z	Relative Intensity
50.01591	0.7
51.02366	1.4
51.76212	0.3
53.03701	0.6
53.03947	7.4
55.01873	0.5
69.07061	1.1
69.37635	0.3
69.39731	1.1
69.40135	0.7
72.93791	0.8
77.03929	2.6
78.03478	0.7
79.05505	1.7
81.03433	0.8
90.90379	1.0
91.05475	2.0
92.05820	0.5
92.53274	0.3
95.04964	7.5
96.04478	1.7
96.05366	0.3
103.05455	1.3
104.04989	82.8
105.03410	2.6
105.04520	4.1
105.05325	3.9
105.07027	8.9
110.67896	0.3
115.05445	0.6
115.07600	0.3
117.05756	0.9
128.24997	0.3
131.08615	0.4
132.04446	100.0
133.02892	0.4
133.04794	6.1
133.06482	2.1
133.07491	0.6
133.10118	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	132.0445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.9
52.01934	0.2
52.54998	0.3
53.03945	6.8
54.04295	0.4
55.01870	0.9
55.05508	0.9
57.03452	0.3
62.78678	0.3
64.17292	0.3
65.03922	0.3
67.05486	0.4
69.07074	0.8
71.31796	0.2
72.93790	0.3
73.06551	0.4
74.02419	0.3
77.03931	2.7
78.03481	0.4
79.05499	2.1
81.03413	0.8
83.32519	0.3
83.83958	0.2
90.90403	0.7
90.94833	0.4
91.05477	4.5
92.05805	1.3
92.86216	0.3
93.07044	0.5
95.04964	8.8
96.04493	2.3
96.05314	0.4
103.05478	1.3
104.04989	81.9
105.03425	2.5
105.04523	3.8
105.05332	3.8
105.07024	14.8
115.05428	0.6
117.05745	0.9
117.07025	0.9
118.04149	0.4
118.07781	0.6
130.04024	0.5
131.08562	1.2
132.04445	100.0
132.08075	1.4
132.08942	0.8
133.02876	0.6
133.04797	6.2
133.06487	2.7
133.07516	0.6
133.10110	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	132.0808
Annotation	6-Methyl indole
Peak:m/z	Relative Intensity
53.03942	1.3
55.05489	1.2
55.93499	0.9
56.05048	1.2
57.03433	0.8
69.66678	3.6
71.30443	0.8
71.93005	1.6
72.93785	18.8
73.06566	1.6
73.93822	1.0
74.17693	0.8
77.03917	1.6
79.05481	3.2
82.31122	0.8
84.04498	1.1
86.06038	1.6
86.09716	1.1
87.04468	2.7
90.90377	21.1
90.94831	9.2
91.05470	6.0
91.69250	0.8
93.05791	1.7
95.04953	1.9
95.56863	0.8
96.35593	0.9
97.11093	0.8
98.22563	0.9
103.05460	2.7
104.05025	4.3
105.03429	1.1
105.04533	1.0
105.07030	25.4
108.91431	2.6
108.95866	2.4
115.05453	24.9
116.05729	2.0
117.05758	73.0
118.06074	4.8
130.06516	11.6
131.07356	5.8
131.08397	0.7
131.92970	0.8
132.04500	5.6
132.08089	100.0
132.95821	1.2
133.06485	5.7
133.07599	4.8
133.08482	7.2
133.10120	3.5
143.06000	1.4
149.94055	2.2
150.96866	2.3
154.79604	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.1021
Annotation	Isoleucine
Peak:m/z	Relative Intensity
53.03941	1.1
56.96562	2.7
57.03424	1.0
69.03423	1.3
69.07071	5.0
69.58477	4.1
84.08168	1.4
86.09705	100.0
87.04472	1.4
87.09563	0.7
87.10023	3.9
97.02877	0.8
101.00887	0.8
104.07404	0.8
105.07023	2.5
108.83694	0.7
117.05775	1.5
117.62115	0.8
119.01859	0.9
121.20967	0.8
131.96138	1.1
132.08076	2.0
140.49174	0.7
141.20210	0.7
147.85141	0.7
149.97247	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	1.1
53.03940	2.7
55.01862	2.5
55.05505	2.3
56.32420	0.8
57.03431	5.6
60.44733	0.8
65.03922	0.9
68.01672	0.7
69.03427	6.9
71.31177	1.4
73.49879	0.8
77.03934	1.2
79.05045	1.1
79.05493	16.5
84.06906	0.9
85.02901	4.8
87.04462	1.5
91.05479	27.6
92.05804	1.9
92.94447	0.8
93.07052	4.9
95.04971	3.9
97.02896	2.2
103.05468	11.1
105.03406	1.4
105.07028	100.0
106.07368	5.0
107.08572	1.0
115.05434	6.9
116.06235	0.9
117.07037	3.8
118.04178	1.0
118.07813	5.1
123.74370	0.8
131.08577	8.9
133.02853	1.0
133.06494	21.5
133.07516	1.4
133.10127	41.8
134.06892	1.0
134.10452	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	133.0648
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.02359	2.2
53.03931	5.4
55.01862	2.7
55.05513	1.4
58.28487	1.1
65.03931	1.7
66.04712	2.3
71.19678	2.2
72.53663	1.3
77.03910	2.4
78.04682	2.9
79.05490	19.3
89.03958	1.3
90.04702	3.6
91.05479	12.6
91.83157	1.2
93.07027	2.0
95.04964	5.5
103.05462	12.7
105.03434	2.9
105.07026	100.0
106.06637	1.9
106.07383	4.8
115.05441	5.0
117.07043	2.1
118.04166	10.9
118.07813	2.5
126.10078	1.3
131.08595	3.3
133.02832	3.3
133.06493	55.0
133.07574	5.7
133.10110	15.4
134.05992	4.9
134.06906	5.2
134.09657	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	133.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.6
53.00912	0.5
53.03936	2.1
55.01866	3.0
55.05505	2.5
57.03425	1.6
65.03928	1.0
66.04720	0.8
67.05495	0.9
67.66286	0.7
69.03416	1.9
69.38527	4.0
72.69844	0.7
73.54043	0.6
77.03910	1.4
79.05488	18.9
79.26094	0.6
80.05778	1.1
85.02902	1.2
86.04932	0.5
90.04689	2.7
91.05477	18.9
92.05761	1.3
93.07055	3.5
95.04953	2.1
97.02863	0.7
98.23292	1.1
103.05471	12.9
105.03413	1.2
105.07025	100.0
106.06675	1.0
106.07347	5.4
115.05455	9.3
117.07024	5.0
118.04149	7.0
118.07793	3.2
131.08563	6.8
132.08875	0.7
133.06487	47.0
133.10115	30.7
134.05957	0.9
134.06845	4.1
134.10480	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	133.0649
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.02380	1.2
53.03950	4.8
55.01872	6.6
55.05510	1.0
65.03928	0.6
70.78429	0.7
70.78758	0.8
74.73190	0.6
77.03929	1.6
79.05493	28.2
80.05830	1.1
81.03436	0.7
91.05479	8.7
95.04970	4.7
96.05250	0.6
103.05471	18.7
104.05777	1.4
105.04559	2.6
105.07030	100.0
106.07365	5.5
115.05475	3.9
118.07861	0.6
131.04950	1.1
131.08542	0.7
133.06487	38.8
133.10132	3.9
134.06863	2.7
138.71507	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0649
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.6
51.64638	0.5
53.03948	3.5
55.01887	3.3
55.05517	2.2
57.03438	1.4
57.59611	0.6
60.72718	0.5
65.03938	0.6
66.04720	1.3
67.05499	0.6
69.03424	2.8
69.90884	2.5
71.46146	0.5
77.03922	1.2
79.05489	18.8
80.05852	0.9
85.02921	1.0
90.04713	1.7
91.05477	19.5
92.05820	1.0
93.07040	3.9
95.04961	2.8
103.05464	12.3
103.06114	1.0
105.07027	100.0
106.07347	6.7
107.04939	0.9
107.08603	0.8
115.05447	8.0
117.07015	5.0
118.04160	5.4
118.07790	4.0
131.04910	1.1
131.08560	8.5
133.06487	45.3
133.10121	28.5
134.03658	0.7
134.05975	0.8
134.06834	3.9
134.10458	2.4
136.47557	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0649
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.6
53.03949	4.4
53.94173	0.4
53.99804	0.4
55.01878	5.1
55.05516	3.1
55.87624	0.3
57.06887	0.4
65.03944	1.2
67.05502	0.5
71.31455	0.4
77.03938	1.2
79.05498	23.1
80.05836	1.1
91.04943	0.9
91.05487	13.6
92.05831	0.8
93.07062	1.9
95.04970	3.9
103.05471	14.4
104.05746	0.8
105.03397	0.8
105.04571	2.1
105.07036	100.0
106.06636	0.8
106.07366	5.8
107.04965	0.4
115.05461	4.2
116.05767	0.4
117.07001	2.2
118.04140	0.8
118.07816	1.8
131.04968	0.6
131.08577	3.3
133.06499	30.6
133.10135	14.2
133.11156	0.6
134.05969	0.5
134.06841	1.8
134.10481	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22887	0.5
53.03947	1.3
54.15443	0.4
55.05502	1.9
61.01530	0.4
65.03933	1.0
67.05492	1.1
67.77827	0.5
71.32760	0.7
79.05498	6.1
91.05478	17.4
92.05803	0.8
93.07044	0.7
95.04945	1.4
103.05457	4.1
105.07024	100.0
106.06615	1.1
106.07344	6.9
115.05437	1.5
117.07003	1.0
118.07805	1.1
131.08572	3.8
133.06459	2.8
133.07581	2.4
133.10121	16.5
134.05966	1.6
134.06987	0.5
134.09627	1.5
134.10475	1.7
150.94391	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03938	2.6
55.05501	5.1
65.03948	2.2
67.05478	1.9
71.33824	2.0
74.25536	1.3
79.05497	13.8
80.05804	1.2
91.05476	48.8
91.06055	2.6
92.05799	3.2
93.07031	8.2
95.04977	1.8
96.58238	1.1
103.05470	9.6
105.04541	2.3
105.07022	100.0
106.06606	2.0
106.07355	7.6
107.08582	2.6
109.40295	1.5
115.05454	12.3
116.06233	2.9
117.07024	13.0
118.07805	18.1
129.07010	1.7
129.70517	1.1
131.08562	14.3
133.06583	2.0
133.07607	5.2
133.10121	81.1
134.06075	1.3
134.09589	1.9
134.10475	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	133.1012
Annotation	Tetralin
Peak:m/z	Relative Intensity
51.02382	0.5
53.03948	2.7
55.01863	1.7
55.05513	2.5
57.03416	1.8
58.70675	0.4
58.98893	0.4
63.08408	0.4
65.03944	0.8
66.04730	0.7
67.05511	1.0
67.28610	0.4
69.03426	2.6
69.20319	3.6
77.03925	1.3
77.57148	0.5
79.05047	0.9
79.05492	14.2
80.05820	0.8
85.02895	1.9
89.03841	0.4
90.04700	1.5
91.05479	24.6
92.05801	1.1
93.07050	4.7
95.04980	2.6
102.54237	0.4
103.05463	10.2
104.62476	0.4
105.07027	100.0
106.07359	5.5
107.04926	0.6
107.08588	1.2
115.05446	8.2
116.06255	1.0
116.31690	0.4
117.06290	0.5
117.07024	5.3
118.04154	5.0
118.07808	8.1
119.08141	0.5
119.62853	0.4
129.07014	0.6
131.04973	0.7
131.08562	10.9
132.08885	0.7
133.05414	0.5
133.06490	31.6
133.10123	45.3
134.03670	0.6
134.06004	0.8
134.06912	2.7
134.10475	3.8
136.87766	0.4
146.89597	0.4
154.09476	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03941	3.7
55.01861	1.9
55.05504	2.3
57.03429	1.4
62.83439	0.5
67.05499	1.2
69.03434	1.2
69.47643	2.9
77.03934	1.5
79.05493	18.3
80.05817	0.9
85.02896	1.1
91.05480	19.6
92.05804	1.4
93.07040	3.1
95.04965	3.1
103.05467	12.6
105.07030	100.0
106.07365	6.5
107.04942	0.5
107.08598	0.7
115.05472	4.7
117.07007	3.0
118.04147	1.5
118.07813	2.6
125.91736	0.5
131.04924	1.2
131.08553	5.9
133.06496	17.8
133.07507	1.0
133.10132	28.0
134.06831	1.2
134.10466	1.8
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	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.02368	0.9
51.10917	0.6
53.03932	2.9
53.04175	0.6
55.05510	2.3
65.03942	2.0
67.05516	1.1
69.10440	5.7
77.03928	1.0
78.04682	0.7
79.05496	14.0
80.05836	1.2
82.35757	0.6
86.88795	0.6
91.05481	32.7
92.05804	1.8
93.07054	7.2
95.04973	2.7
98.22616	1.6
103.05457	6.9
105.03394	0.9
105.04523	1.4
105.07029	84.7
106.06555	2.5
106.07361	4.7
107.08582	2.2
115.05462	10.9
116.06223	1.8
117.07008	11.7
118.04132	1.6
118.07824	9.5
131.08563	9.3
132.08832	0.8
133.02831	1.4
133.06487	10.9
133.07594	4.9
133.10124	100.0
134.05986	2.3
134.07002	1.4
134.09593	1.4
134.10475	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	133.1013
Annotation	Tetralin
Peak:m/z	Relative Intensity
51.02379	0.7
53.03947	2.8
55.01877	1.2
55.05513	3.8
65.03938	1.8
67.05517	1.3
71.31701	0.7
77.03915	0.9
78.04703	0.6
79.05046	0.9
79.05495	13.7
91.05481	29.8
91.53928	0.5
92.05012	0.7
92.05807	1.7
93.07043	5.9
95.04971	3.2
95.09323	0.5
103.05460	8.0
105.03398	0.9
105.07030	100.0
106.06610	1.1
106.07347	5.7
107.08582	0.6
115.05468	7.2
116.06248	1.2
117.07013	7.1
118.04174	1.4
118.07822	7.9
128.32018	0.4
131.08559	10.2
131.09464	0.8
133.06516	10.9
133.07552	1.4
133.10127	51.4
134.06000	2.0
134.06912	0.9
134.09637	1.0
134.10497	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	133.1011
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.02373	0.6
53.03937	2.4
55.01862	0.4
55.05513	3.5
55.78747	0.3
65.03928	1.4
67.05492	0.7
68.65395	0.3
69.26411	1.2
69.26840	1.7
77.03935	0.4
79.05486	11.4
80.05817	0.5
91.05470	26.5
92.05792	1.4
92.06310	0.5
93.07036	6.9
94.33450	0.3
95.04955	1.7
103.05463	5.5
104.06283	0.6
105.07020	68.4
106.06610	0.6
106.07339	4.2
107.08565	1.7
112.08259	0.4
115.05447	8.3
116.06294	1.8
117.07011	11.1
118.07809	10.0
119.08129	0.5
129.06966	0.7
131.08543	8.2
132.08908	0.5
133.02847	0.8
133.06537	3.4
133.10115	100.0
134.05988	1.2
134.06940	0.5
134.09543	0.5
134.10452	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	133.1012
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.02390	0.3
53.03947	1.5
54.28808	0.2
55.05510	2.8
64.23654	0.2
65.03925	0.8
67.05505	0.9
70.45496	0.7
72.53199	0.2
77.03941	0.5
79.05039	0.5
79.05491	8.3
80.05809	0.4
81.03407	0.3
91.05475	23.5
92.05791	1.0
92.06271	0.5
93.07043	6.4
94.07382	0.3
95.04954	1.7
98.23257	0.2
103.05465	4.8
105.04510	0.9
105.07024	56.3
106.07360	3.5
107.08589	1.9
115.05453	8.8
116.06293	1.7
117.07022	9.6
118.07808	10.1
119.08132	0.7
129.07007	0.9
131.08557	8.0
132.08894	0.4
133.10120	100.0
134.10448	6.8
142.15761	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Tetralin
Peak:m/z	Relative Intensity
51.02373	1.1
51.56588	1.0
53.03943	3.0
55.05505	3.6
65.03934	2.1
67.15289	1.0
71.31356	1.8
79.05496	10.4
82.60507	1.1
91.05481	100.0
92.05809	4.7
93.07041	5.1
103.05469	6.1
105.07030	96.2
106.07332	6.1
115.05502	5.6
116.06263	1.6
117.07011	10.7
118.07808	9.4
119.69836	1.1
122.96674	1.0
131.08578	13.8
132.08873	1.2
133.06488	2.6
133.07524	1.6
133.10129	60.2
134.06032	2.5
134.09563	1.5
134.10504	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	133.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.4
51.61368	0.2
53.03947	1.4
55.05514	2.6
55.31128	0.2
64.96008	0.3
65.03933	0.7
65.11995	0.2
67.05506	0.9
70.62316	0.4
70.62654	0.3
77.03924	0.7
79.05492	9.5
79.05955	0.5
80.05825	0.5
91.05482	26.9
92.05808	0.9
92.06287	0.6
93.07047	6.4
94.07382	0.4
95.04970	1.9
96.05265	0.2
101.72820	0.2
103.05466	5.5
105.04521	0.7
105.07031	64.0
106.07357	4.2
107.08572	1.8
107.69453	0.2
115.05459	9.0
116.06335	1.6
117.07027	12.2
118.07814	11.7
119.06025	0.2
119.08148	0.7
122.56493	0.3
129.07005	1.1
131.08572	8.6
132.08926	0.7
133.10129	100.0
134.10460	8.8
143.26506	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56380	0.5
53.03951	2.6
55.05521	5.3
57.84358	0.5
64.65990	0.5
65.03933	0.8
67.05499	1.7
69.32373	3.7
75.38293	0.5
77.03915	0.8
78.99745	0.5
79.05053	0.7
79.05494	9.3
79.69476	0.5
87.98585	0.5
91.05482	32.1
92.05814	2.0
93.07053	7.1
95.04996	2.4
103.05472	6.2
104.06277	0.5
105.07030	100.0
106.07364	7.1
107.08604	1.4
111.88770	0.5
115.05445	7.2
116.06282	1.3
117.07025	8.9
118.07819	8.9
129.07028	0.9
131.08568	10.8
132.08937	1.1
133.06477	1.2
133.10129	52.4
134.10478	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	133.1013
Annotation	Tetralin
Peak:m/z	Relative Intensity
51.02364	0.5
53.03948	2.4
53.93999	0.4
55.01868	0.4
55.05515	3.9
62.66193	0.4
63.25009	0.4
65.03942	1.3
65.79834	0.4
67.05500	1.4
70.18192	1.0
72.33834	0.3
77.03912	1.0
79.05491	11.0
80.05806	0.4
87.13202	0.4
91.05478	36.4
92.05772	2.1
93.07042	7.9
94.07374	0.5
95.04977	2.1
98.22617	0.5
103.05467	7.4
105.04537	1.2
105.07026	100.0
106.06657	0.6
106.07357	5.5
107.08610	1.3
115.05463	6.3
116.06202	1.2
117.07010	8.1
118.04172	0.7
118.07811	8.3
119.08117	0.4
129.06952	0.7
131.08566	10.7
132.08910	0.8
133.02829	1.0
133.06488	5.6
133.07573	1.1
133.10123	49.4
134.06004	1.5
134.07050	1.0
134.09605	0.8
134.10468	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	135.044
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
51.02389	0.9
53.03944	4.9
53.56643	0.4
59.87357	0.6
63.02376	6.1
65.03929	1.1
66.30649	0.5
67.05497	1.4
71.33138	0.7
74.28966	0.6
74.80716	0.5
77.03922	1.0
79.05492	15.4
80.05829	0.6
89.03913	100.0
90.04241	4.6
91.05476	2.4
93.05798	0.7
93.07049	2.3
94.06564	0.6
95.04971	5.7
103.05437	0.7
105.04484	2.5
105.07020	1.5
107.04947	12.5
107.08590	2.1
108.05279	0.7
109.01096	6.1
117.03374	31.1
118.03728	1.6
119.03551	0.9
121.08878	0.8
130.06512	0.7
135.04411	44.8
135.08011	1.3
135.09071	0.6
135.11713	0.8
136.02156	46.9
136.04768	2.8
136.06175	6.7
136.07545	1.9
136.11185	1.4
137.04616	0.6
145.03949	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0441
Annotation	Phenylglyoxal
Peak:m/z	Relative Intensity
50.01589	1.2
51.02378	6.5
53.03946	40.1
54.04270	1.5
55.01873	2.5
63.02375	0.8
64.03153	0.6
65.03945	1.1
67.05486	0.6
68.99786	0.6
69.59276	2.4
71.72800	0.5
77.03924	9.5
78.04279	0.6
79.05490	21.9
80.05811	1.0
81.03416	4.5
81.07053	0.6
86.42874	0.4
89.03928	2.4
91.05468	6.9
92.02618	31.4
92.06268	0.5
93.02953	1.2
93.05779	0.8
93.07014	1.8
93.42952	0.4
94.06561	1.0
95.04962	50.4
96.05286	1.4
105.03413	7.4
105.04507	21.5
105.07021	1.5
106.04852	1.2
107.04951	5.1
107.08567	2.3
108.08118	0.6
109.01112	4.3
115.05461	0.8
117.03345	1.0
118.06515	0.7
119.03529	0.6
120.02108	2.6
133.58636	0.5
135.04407	100.0
135.07950	3.3
135.11661	0.6
136.02153	36.7
136.04739	6.3
136.06151	3.8
136.07538	1.8
136.11169	0.6
138.03111	4.6
139.03452	0.4
140.03508	0.4
140.84749	0.4
142.69308	0.4
152.97205	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	1.2
51.02372	6.1
53.00299	0.7
53.03945	39.7
53.29268	0.4
54.04279	1.3
55.01872	2.6
63.02366	0.6
64.00694	0.4
64.03157	0.9
65.03940	1.1
67.05495	1.0
68.99784	0.4
69.10210	3.4
73.14145	0.3
77.03922	9.4
79.05488	20.6
80.05831	1.1
81.03409	5.0
89.45181	0.3
91.05478	4.2
92.02619	32.8
93.02945	1.2
93.05775	0.5
93.07037	1.3
94.02956	0.4
94.06582	0.6
95.04961	50.6
96.05293	1.7
103.05489	0.4
105.03423	7.2
105.04503	24.6
105.06986	0.9
106.04846	1.6
107.04945	4.3
107.08591	2.2
108.08112	0.6
109.01093	4.9
109.06526	0.6
115.05457	1.1
117.07039	0.4
118.06538	0.6
119.08509	0.4
120.02052	2.1
122.40308	0.3
135.04405	100.0
135.08015	2.3
136.02153	47.4
136.04755	7.4
136.06177	5.0
136.07491	2.0
136.11205	0.8
138.03102	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	135.044
Annotation	Phenylglyoxal
Peak:m/z	Relative Intensity
50.01591	1.4
50.52417	0.5
51.02381	6.2
51.34024	0.5
53.03945	43.4
54.04274	1.5
55.01869	2.6
63.02375	1.6
64.03175	0.8
65.03910	0.6
68.99755	0.6
70.43778	1.4
77.03926	11.7
79.05489	19.8
80.05827	0.7
81.03410	4.6
83.47516	0.5
91.05473	2.2
92.02618	32.6
93.02934	1.2
93.07043	0.8
95.04963	49.4
96.05296	2.0
103.94566	0.5
104.76254	0.5
105.03414	7.4
105.04504	21.1
105.06993	1.3
106.04827	0.9
107.04950	3.1
107.08586	1.3
109.01081	1.6
115.05402	0.6
120.02066	3.2
120.89648	0.5
131.89233	0.6
135.04407	100.0
135.08026	2.3
136.02153	15.4
136.03824	0.7
136.04750	6.7
136.06172	1.7
136.07571	0.8
138.03102	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	135.044
Annotation	Phenylglyoxal
Peak:m/z	Relative Intensity
50.01588	1.4
51.02387	4.9
53.03944	43.5
53.16082	0.7
54.04277	1.5
55.01873	3.0
55.05510	1.0
59.85497	0.6
63.02358	0.9
63.19869	0.6
64.03143	0.9
65.03928	2.0
67.05530	0.8
77.03920	7.9
78.04241	0.8
79.05487	26.4
80.05831	1.1
81.03413	4.9
86.03321	0.7
89.03894	0.7
91.05468	14.5
92.02614	28.6
92.05801	1.3
93.02939	1.2
93.05795	1.1
93.07021	2.4
95.04959	48.1
96.05299	1.6
103.05460	1.8
105.03421	6.7
105.04504	24.2
105.07028	6.2
106.04823	1.1
107.04940	6.4
107.08570	7.8
108.04413	0.7
108.08109	0.7
109.01104	11.7
109.06509	1.2
110.71627	0.7
115.05431	5.5
115.35201	0.6
117.07021	2.5
118.06556	1.0
119.05977	0.8
119.08585	0.8
120.02084	1.9
120.05630	0.6
135.04404	93.2
135.08029	7.5
135.11697	1.5
135.14969	0.7
136.02150	100.0
136.04807	6.3
136.06178	11.5
136.07542	2.3
136.08456	0.7
136.11230	1.8
137.04546	1.0
138.03139	4.6
146.05173	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0441
Annotation	Phenylglyoxal
Peak:m/z	Relative Intensity
50.01599	0.4
51.02372	0.6
53.03946	6.4
55.01868	1.6
55.05513	2.2
55.49056	0.4
57.03411	0.3
64.39187	0.4
65.03947	1.7
67.05514	1.7
69.07064	0.6
71.04991	0.8
71.31152	0.4
73.84502	0.3
77.03922	1.7
79.05492	52.2
80.05809	2.0
81.03409	1.1
81.07057	1.4
89.03921	2.2
89.06027	0.9
91.05479	15.7
92.02593	0.5
92.05788	0.6
93.05787	0.7
93.07040	14.6
93.78361	0.4
94.04088	0.4
94.07379	0.9
95.04967	8.9
96.05348	0.4
103.05489	0.8
105.03399	0.9
105.04511	4.4
105.07025	7.2
107.04948	15.7
107.07839	0.8
107.08587	16.6
108.05289	1.0
108.08900	0.6
109.01091	1.9
109.06532	1.0
115.05434	1.5
117.03368	0.7
117.07018	2.1
119.03531	1.4
119.06056	0.8
119.08581	2.0
120.09424	0.4
133.01918	0.4
133.02856	5.9
134.03152	0.3
135.04410	100.0
135.08023	6.2
135.11674	4.2
136.02158	23.4
136.03812	0.7
136.04761	5.6
136.06178	12.2
136.07530	1.4
136.11154	0.5
136.12111	0.5
137.04567	1.0
145.89883	0.4
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	Indan-1-ol
Peak:m/z	Relative Intensity
50.01582	0.6
51.02375	1.3
51.76713	0.5
53.03946	9.6
54.33452	0.5
55.01855	1.5
55.05479	0.6
65.03943	4.0
67.05486	1.9
71.32867	0.7
76.02914	0.6
77.03920	1.7
78.04725	0.5
79.05029	1.0
79.05489	17.4
80.04991	1.3
80.05813	0.8
81.03401	1.3
81.07057	0.8
90.06215	0.6
91.05476	31.6
92.02618	5.9
92.05810	1.7
93.05789	1.0
93.07031	3.1
94.04058	0.7
94.06577	0.9
95.04960	11.8
103.05467	7.2
104.05801	0.8
105.03400	1.4
105.04515	5.3
105.07020	14.3
107.04955	6.8
107.08587	14.7
108.04459	0.7
108.08074	0.6
108.08908	0.8
109.01095	10.5
109.06516	2.8
115.05451	19.3
116.05717	0.8
117.07016	9.4
118.06515	0.7
118.07368	1.2
119.03577	1.3
119.06066	2.1
119.08613	0.6
120.05695	1.6
135.04410	19.5
135.08052	21.3
135.09003	0.7
135.11629	1.0
136.02155	100.0
136.06184	10.5
136.07538	3.9
136.08418	1.8
136.11226	2.5
138.03128	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0804
Annotation	p-Methoxystyrene
Peak:m/z	Relative Intensity
51.02359	0.9
53.03950	8.2
54.67399	0.8
55.01866	1.5
57.03425	1.5
65.03939	2.3
67.05492	1.6
68.75390	0.7
71.32170	0.8
71.32577	1.4
77.03929	1.7
79.05035	1.7
79.05492	35.2
80.05820	1.4
81.07043	1.1
91.05479	16.1
91.63451	0.8
92.06264	2.5
93.05783	1.7
93.07050	1.5
95.04970	10.1
103.05463	48.3
104.05772	1.9
105.04517	4.8
105.07026	48.5
106.07356	3.7
107.04256	1.1
107.04950	18.9
107.08582	3.3
108.08103	1.0
109.01106	9.6
115.05448	3.1
117.06956	1.7
118.06505	0.9
119.04956	1.4
120.05698	6.9
135.04391	2.7
135.08044	40.6
136.02158	100.0
136.06177	7.9
136.07549	3.6
136.08406	3.0
136.11205	2.6
137.04636	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0805
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.7
53.03950	4.6
55.01865	1.9
55.05516	7.1
59.21167	0.4
63.81280	0.5
65.03937	4.5
67.05502	4.2
69.03416	0.5
69.07053	2.2
70.93819	0.8
72.24451	0.4
77.03928	1.2
79.05493	31.7
79.19582	0.4
80.05831	1.4
81.03413	1.1
81.07073	2.0
89.03918	1.4
91.05479	50.9
92.02608	0.6
92.05772	2.2
92.06286	1.3
93.07044	31.8
94.07362	1.7
95.04964	5.8
103.05473	3.7
105.04524	2.6
105.07027	16.3
106.04189	0.6
106.07349	1.3
107.04956	11.8
107.08592	39.0
108.05238	0.6
108.08942	2.1
109.01074	1.5
109.06518	4.2
115.05460	10.2
117.03460	0.5
117.07034	4.8
117.76958	0.4
119.04927	0.5
119.06064	3.3
119.08580	4.1
120.05723	1.6
120.09400	0.7
123.82555	0.4
130.14198	0.4
135.04445	7.3
135.08051	100.0
135.11681	10.2
136.02167	16.5
136.06189	4.3
136.07532	0.9
136.08408	7.4
136.12047	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0804
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
51.02370	1.1
52.19802	0.9
53.03947	10.5
55.01880	2.4
55.05509	1.1
65.03933	8.4
67.05495	4.5
69.03422	1.1
69.57586	3.4
70.81897	0.6
70.94183	0.7
71.42603	0.7
74.38003	0.6
77.03931	2.0
79.05488	24.5
79.05943	1.4
80.05811	1.7
81.03410	0.9
81.07039	0.6
88.08458	0.6
89.03904	1.8
91.05476	100.0
92.02623	4.9
92.05798	4.5
92.06263	1.2
93.05794	0.8
93.07029	5.8
93.54762	0.7
95.04960	12.7
98.23229	1.1
102.04655	0.8
105.03362	1.7
105.04507	5.6
105.07021	27.5
106.04180	0.8
106.07348	1.1
107.04943	5.5
107.08585	45.6
108.08893	3.9
109.01081	5.5
109.06506	9.5
115.05449	68.3
116.05760	3.8
116.06300	2.4
117.07014	34.4
118.07317	3.0
119.06039	6.1
119.08537	0.9
120.05705	3.8
120.06475	0.8
123.48775	0.6
133.06479	2.2
135.04414	19.9
135.08044	59.6
135.11676	0.9
136.02150	46.6
136.04901	1.4
136.06161	5.2
136.07382	0.9
136.08405	5.2
136.11153	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0805
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
50.88919	0.9
51.02375	3.0
53.03946	18.5
53.23618	0.8
55.01862	4.1
65.03667	0.9
65.03941	7.8
67.05491	4.1
69.03430	1.0
69.42005	2.2
69.42428	4.1
77.03910	2.0
79.05492	31.4
80.05012	0.9
80.05819	1.6
81.03413	1.9
89.03916	2.1
89.53114	0.9
91.05476	79.8
92.02612	11.4
92.05810	3.7
93.05798	1.6
93.07052	8.8
95.04965	22.8
103.05456	2.9
105.03384	2.1
105.04518	8.9
105.07024	21.1
106.07359	1.2
107.04955	7.2
107.08588	34.8
108.08926	2.9
109.01111	9.8
109.06510	8.5
115.05449	50.6
116.05791	3.1
117.07016	23.7
118.06560	1.0
118.07381	1.3
119.03548	2.0
119.06093	4.8
119.08579	3.2
120.02074	1.9
120.05700	2.9
120.09409	0.9
124.05125	1.4
133.06433	1.0
135.04414	35.1
135.05443	2.3
135.08047	48.4
135.11696	2.2
136.02155	100.0
136.04860	2.8
136.06181	13.0
136.07547	4.1
136.08430	3.4
136.11198	1.6
137.04515	1.1
138.03105	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0804
Annotation	p-Methoxystyrene
Peak:m/z	Relative Intensity
50.46725	1.3
53.03947	10.3
55.01859	1.9
57.03446	2.3
65.03941	2.0
66.15811	1.0
67.05498	1.6
68.89348	1.1
69.28848	2.2
69.29250	7.2
78.56145	1.2
79.05490	39.8
80.05053	1.5
80.05827	1.5
91.05476	23.1
92.05753	1.5
92.06261	3.2
93.05795	2.0
93.07041	2.7
94.06574	1.4
95.04958	11.5
98.23307	2.6
103.05460	55.4
104.05804	3.8
105.04520	4.7
105.07021	50.8
106.07368	3.7
107.04955	20.2
107.08563	5.7
109.01105	11.3
109.06527	1.4
115.05437	3.5
117.07005	2.4
119.03570	2.3
119.04945	2.7
120.05728	11.6
135.04422	2.5
135.08052	46.1
136.02151	100.0
136.06163	13.7
136.07523	3.4
136.08441	2.4
136.11201	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	135.0805
Annotation	Isochavicol
Peak:m/z	Relative Intensity
51.02375	0.7
53.03950	4.6
55.01865	1.9
55.05516	7.1
59.21167	0.4
63.81280	0.5
65.03937	4.5
67.05502	4.2
69.03416	0.5
69.07053	2.2
70.93819	0.8
72.24451	0.4
77.03928	1.2
79.05493	31.7
79.19582	0.4
80.05831	1.4
81.03413	1.1
81.07073	2.0
89.03918	1.4
91.05479	50.9
92.02608	0.6
92.05772	2.2
92.06286	1.3
93.07044	31.8
94.07362	1.7
95.04964	5.8
103.05473	3.7
105.04524	2.6
105.07027	16.3
106.04189	0.6
106.07349	1.3
107.04956	11.8
107.08592	39.0
108.05238	0.6
108.08942	2.1
109.01074	1.5
109.06518	4.2
115.05460	10.2
117.03460	0.5
117.07034	4.8
117.76958	0.4
119.04927	0.5
119.06064	3.3
119.08580	4.1
120.05723	1.6
120.09400	0.7
123.82555	0.4
130.14198	0.4
135.04445	7.3
135.08051	100.0
135.11681	10.2
136.02167	16.5
136.06189	4.3
136.07532	0.9
136.08408	7.4
136.12047	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02378	0.8
53.03949	5.6
55.01657	0.5
55.01877	6.2
55.05511	4.5
56.00867	0.6
56.67730	0.6
65.03932	2.2
66.96986	0.7
67.05155	1.1
67.05502	14.7
67.05855	1.0
69.07054	3.2
71.32558	0.9
79.05493	35.3
80.05806	1.9
81.03401	1.0
81.07054	11.5
82.07409	0.8
91.04927	1.2
91.05475	15.3
92.05785	1.5
93.07041	41.4
94.06569	1.5
94.07378	2.2
95.04963	7.3
105.04492	2.4
105.07016	4.3
107.04958	3.9
107.08588	20.4
108.08163	1.0
108.08935	1.7
109.01102	11.6
109.06498	0.8
115.05437	1.8
117.07010	2.0
118.06548	1.1
119.03537	1.2
119.08630	1.2
135.04402	1.8
135.05470	1.2
135.08055	10.6
135.11682	14.9
136.02156	100.0
136.06168	9.5
136.07474	3.4
136.08452	1.2
136.11180	2.6
136.12064	1.4
137.04565	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
52.70144	1.9
53.03953	9.7
55.01865	2.6
55.05517	15.3
65.03936	4.2
67.05173	1.8
67.05511	29.1
69.07071	8.5
71.32288	2.8
74.99657	1.7
77.03947	2.2
79.05497	76.9
80.05823	3.1
81.06574	1.9
81.07054	31.6
82.07422	1.6
85.26662	1.5
91.05482	37.6
92.05812	2.7
93.07047	100.0
94.07384	4.0
95.04980	10.7
105.04530	4.7
105.07011	10.7
107.04979	3.1
107.08601	63.3
108.08918	3.7
109.01122	7.3
109.06516	2.0
117.06980	1.7
119.06065	3.0
119.08604	5.4
120.09407	2.8
124.47884	1.7
133.10127	2.5
135.05589	2.5
135.08078	4.6
135.09117	1.8
135.11694	46.6
135.12648	3.5
136.02165	70.0
136.06209	13.6
136.07535	2.7
136.11136	2.4
136.12042	4.2
142.27394	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02377	1.5
53.03944	12.0
55.01867	0.9
55.05512	9.6
65.03928	4.2
67.05489	2.8
69.07049	2.9
71.19047	1.3
77.03918	2.9
78.04710	1.0
79.05487	28.7
80.05823	2.0
81.03421	1.6
81.07045	3.4
89.03922	1.2
91.05474	80.6
92.02615	2.8
92.05789	3.9
93.07038	45.5
94.07363	2.9
95.04967	11.5
95.08609	1.1
103.05445	4.2
104.06225	1.0
105.04517	5.1
105.07026	40.3
106.07302	1.8
106.07906	0.9
107.04953	8.9
107.08585	100.0
108.08923	6.4
109.01079	2.7
109.06503	7.8
110.42080	0.8
115.05450	2.2
117.03337	1.1
117.07018	4.2
119.03513	1.0
119.06057	7.3
119.08576	22.9
120.09396	8.0
133.10153	1.7
135.04404	9.8
135.08060	9.9
135.11685	23.7
136.01128	1.6
136.02156	24.6
136.06123	4.5
136.07541	1.1
136.12030	2.1
141.90726	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03949	6.6
55.05513	7.1
55.26310	1.1
57.07075	3.0
62.40358	1.0
65.03923	3.0
67.05492	1.6
69.07047	2.5
70.07340	1.0
71.05999	1.8
71.06329	1.4
77.03913	2.6
79.05495	17.9
81.07053	2.5
84.88676	1.2
91.05481	59.0
91.17963	1.0
92.02612	1.8
92.05814	3.2
93.07040	47.5
94.07359	2.4
94.45638	1.0
95.04969	8.7
103.05472	2.5
104.06275	2.1
105.04501	3.4
105.07028	28.9
107.08592	100.0
108.08903	5.9
109.06506	9.4
109.79443	1.0
114.73352	1.2
117.07015	4.6
119.06081	6.2
119.08572	20.7
120.09379	6.7
133.10164	2.2
135.04402	4.2
135.11694	31.8
136.02121	1.3
136.12019	2.4
137.09570	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02376	1.2
53.03944	10.5
55.01872	2.0
55.05512	12.6
57.60374	1.1
65.03926	5.1
67.05495	5.2
69.07056	3.6
70.92384	2.6
70.92723	1.2
77.03931	2.0
79.05489	33.4
81.03429	1.7
81.07049	5.5
89.03900	1.8
91.05479	71.8
92.02605	3.0
92.05801	3.7
93.07046	64.3
94.07348	3.0
94.07887	1.9
95.04976	11.6
103.05447	3.8
105.04506	6.7
105.07027	31.6
106.04193	1.5
107.04958	4.1
107.08592	100.0
108.08906	6.0
109.01097	4.8
109.06536	7.6
115.05465	5.5
117.07010	5.1
119.03490	1.7
119.06047	6.3
119.08575	21.9
120.09393	7.1
132.82959	1.1
133.10081	2.3
135.04428	9.2
135.05414	2.0
135.08055	12.3
135.11687	35.0
136.02155	55.8
136.06189	5.5
136.07581	2.6
136.11147	1.7
136.12074	2.0
137.09653	1.2
137.17589	1.3
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
51.42527	0.7
53.03947	5.2
55.05513	8.2
65.03926	2.9
67.05499	3.6
69.07066	3.9
69.22607	5.4
77.03949	1.0
79.05495	23.0
81.07048	5.6
81.22952	0.7
89.03916	1.6
90.32121	0.6
91.05482	36.2
92.05805	1.7
93.07043	56.8
94.07377	3.0
95.04967	6.0
103.05457	1.2
105.04522	3.0
105.07035	17.4
107.04945	1.9
107.08593	100.0
108.08934	5.9
109.06483	3.8
117.07005	1.4
119.06083	4.8
119.08590	6.6
120.09372	1.6
135.04433	2.7
135.08069	2.4
135.11694	15.2
135.19687	0.7
136.02155	5.6
136.06142	1.2
136.12050	1.2
137.02060	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65749	1.0
51.02370	1.4
53.03944	10.0
55.01862	1.0
55.05515	11.1
65.03944	3.9
67.05505	3.7
69.04863	4.3
69.05284	4.1
69.07069	4.0
72.53210	0.9
77.03939	2.0
79.05496	28.8
81.07050	4.3
91.05482	51.3
92.02624	1.1
92.05826	2.5
93.07047	51.8
93.10934	0.9
94.07367	3.0
95.04962	9.1
98.22575	1.4
103.05473	3.4
105.04530	3.5
105.07034	27.1
107.04942	4.4
107.08596	100.0
108.08929	6.4
109.06501	6.8
115.05454	1.9
117.07036	2.8
119.05314	0.9
119.06047	5.5
119.08574	9.4
120.09359	4.0
135.04439	4.8
135.08064	6.4
135.11697	17.8
136.02174	13.9
136.06238	2.3
136.12029	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0618
Annotation	Adenine
Peak:m/z	Relative Intensity
51.58202	0.2
53.03944	0.3
58.53900	0.2
65.03924	0.6
67.02979	0.8
70.97711	0.3
70.98035	0.4
77.07513	0.2
88.52749	0.2
91.05477	8.5
91.06049	0.5
92.02490	1.1
92.04900	0.2
92.05806	0.6
93.07029	0.2
94.04050	4.8
94.06596	0.3
100.02526	0.3
107.04954	0.6
109.01100	1.2
109.05125	1.3
109.06536	0.2
110.87875	0.2
112.05114	0.4
113.00864	0.6
118.06540	0.5
119.03553	14.5
119.04826	1.9
120.03886	0.3
122.03648	0.8
131.01921	1.2
136.02168	11.6
136.06178	100.0
136.93163	0.3
137.02426	0.7
137.04588	9.4
137.05673	0.4
137.06659	3.5
149.02950	0.4
154.94183	0.4
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
51.02376	0.6
53.03943	1.9
55.01867	1.0
56.62909	0.4
58.89228	0.3
65.03930	2.1
66.04723	9.8
67.05051	0.5
67.05489	1.2
69.03400	0.6
70.37904	0.9
77.03915	1.1
79.05484	4.5
80.05805	0.7
81.07054	3.2
85.29592	0.4
91.05477	5.6
94.04181	62.6
95.04463	3.0
95.04993	1.1
95.08611	1.6
105.03371	0.9
105.04501	0.5
106.43687	0.5
107.04929	2.1
109.06551	1.0
110.06038	0.6
122.03640	82.0
123.03968	4.4
123.06841	0.5
126.46431	0.5
135.04437	0.6
137.02534	3.9
137.05971	100.0
138.01765	1.5
138.05414	0.7
138.06311	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	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03939	2.4
55.01865	0.9
60.38107	0.7
65.03924	2.4
66.04721	9.3
67.05028	0.7
67.05495	2.9
69.03444	1.0
70.52978	0.7
71.33472	0.9
77.03948	1.1
79.05496	6.9
81.03432	1.2
81.07049	4.2
85.46930	0.7
91.05478	6.2
93.07001	1.0
94.04185	66.7
95.04495	2.4
95.04981	1.9
95.08608	2.1
96.04532	1.2
105.03358	1.6
107.04945	2.1
109.06519	1.5
110.01439	0.9
121.06514	1.5
122.03643	79.8
123.03975	4.1
123.06796	0.9
137.02536	8.8
137.05971	100.0
137.09583	1.7
137.10674	1.4
138.01758	3.4
138.06361	8.2
138.09085	0.8
153.71321	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02373	0.6
53.03944	2.0
54.18754	0.7
55.01861	1.5
55.05509	0.7
60.52305	0.5
65.03945	2.7
66.04716	9.7
67.05499	6.5
69.03412	1.2
70.17131	0.5
70.70309	1.3
75.72826	0.5
77.03918	1.0
79.05488	5.6
81.03414	1.1
81.07057	5.6
91.05488	6.8
93.07042	0.9
94.04182	63.1
95.04491	1.6
95.05019	2.5
95.08613	2.7
100.66093	0.6
105.03358	0.7
105.04510	0.6
107.04949	2.4
107.05579	0.5
107.19305	0.6
109.02727	0.6
109.06529	2.2
109.10159	3.9
112.54354	0.5
119.06062	0.5
119.08562	1.1
122.03638	78.8
122.07243	2.8
123.03937	4.9
135.04401	0.8
137.02542	3.3
137.05965	100.0
137.09587	4.1
138.01743	1.1
138.05396	0.9
138.06305	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	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
52.94387	0.6
53.03939	1.8
58.15831	0.6
65.03938	2.3
66.04723	11.0
67.05511	0.8
70.47264	1.9
72.32703	0.6
77.03940	0.9
79.05492	5.6
81.07058	1.2
88.19512	0.5
90.06281	0.6
91.05450	3.8
94.04182	68.2
95.04505	2.1
95.05013	1.4
107.04958	2.5
122.03640	78.8
123.03972	5.1
135.04390	0.7
137.05969	100.0
138.06299	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	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02389	0.5
53.03942	1.9
55.01869	1.8
55.05507	1.7
57.07069	1.1
65.03937	3.4
65.36830	0.5
66.04725	9.5
66.35190	0.7
67.05505	10.3
69.03424	1.2
69.56337	2.4
69.60752	0.5
71.01386	0.5
73.21024	0.5
77.03943	1.3
79.05487	8.2
81.03423	2.9
81.07055	10.8
82.07384	0.6
91.05476	7.3
93.07056	1.9
94.04185	59.1
95.04507	2.0
95.04993	2.2
95.08607	12.3
101.84538	0.6
105.03417	0.6
107.04939	2.9
107.08550	0.7
109.06520	2.2
109.10151	4.0
119.04944	0.8
119.08586	1.0
121.06536	0.9
122.03645	73.4
122.07301	3.2
123.03942	3.0
135.04408	0.8
137.02477	5.0
137.05974	100.0
137.09589	6.1
137.13263	1.1
138.01765	1.2
138.05437	0.8
138.06332	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	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
50.01604	0.3
51.02367	0.6
53.03954	1.7
55.01872	1.1
60.90137	0.3
65.03939	3.2
66.04375	0.6
66.04725	10.0
67.05498	0.8
69.29714	1.6
69.30115	0.7
77.03933	1.1
79.05490	5.3
80.52225	0.3
81.03421	0.3
81.07058	2.3
82.25022	0.3
89.70907	0.3
91.05480	4.6
93.03406	0.4
94.04188	67.2
95.04475	2.6
95.04997	0.9
95.08600	0.5
105.03387	1.0
105.04485	0.5
107.04952	2.3
109.06529	1.0
122.03648	80.0
123.03978	3.9
135.04369	0.7
136.62872	0.3
137.05977	100.0
138.06320	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02360	1.3
53.03634	0.5
53.03922	2.8
65.03936	2.5
66.04722	9.6
67.05488	0.6
71.09804	1.4
77.03927	1.1
79.05497	4.7
81.07050	2.2
89.07726	0.5
89.58064	0.8
91.05489	4.5
93.03356	0.6
94.04183	65.9
95.04502	2.1
95.05022	1.2
105.03382	1.0
105.04473	0.6
107.04977	2.0
109.06504	1.6
122.03642	79.9
123.03987	4.2
131.71498	0.6
137.05972	100.0
138.06299	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	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02375	1.1
53.03941	2.1
55.01873	1.0
55.21213	0.5
65.03933	2.2
66.04727	9.1
67.05497	1.2
69.02133	0.8
69.02536	4.2
77.03928	1.2
79.05489	6.0
81.07054	2.8
85.42547	0.5
88.26921	0.4
91.05476	5.8
93.07033	0.6
94.04182	62.7
95.04503	2.1
95.04990	1.4
105.03347	0.8
105.04494	0.5
107.04961	2.1
109.06519	1.0
122.03639	79.6
123.03946	3.7
135.04419	0.8
137.05969	100.0
138.06299	7.0
154.69040	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02367	0.9
53.03938	2.1
55.01859	1.0
58.42601	0.4
58.89454	0.6
65.03944	3.0
66.04719	9.3
67.05500	7.6
69.03426	0.6
70.66544	1.5
77.03935	1.1
79.05484	6.9
81.03407	2.9
81.07052	4.8
91.05470	8.1
93.07030	0.9
94.04182	65.3
94.55376	0.4
95.04445	3.0
95.04977	1.8
95.08611	1.9
96.04498	0.9
101.46740	0.5
105.03381	1.0
105.04510	0.7
107.04947	6.9
109.06495	1.6
109.10157	5.3
117.06970	0.5
119.08537	3.6
120.08883	0.5
121.06491	1.8
122.03642	81.9
122.07281	21.3
122.08046	0.5
123.03967	4.4
123.07579	1.3
135.04530	0.6
135.08023	0.8
137.02516	4.6
137.05971	100.0
137.09596	13.7
138.01715	1.0
138.05455	0.8
138.06342	6.9
138.09966	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02378	0.9
53.03942	2.7
55.01880	0.8
65.03940	2.9
66.04724	9.5
67.05502	3.1
69.03406	0.7
69.10012	1.3
69.10416	3.4
70.69434	0.5
71.64664	0.5
77.03917	1.0
79.05485	6.6
80.05827	0.5
81.03409	1.2
81.07050	4.1
91.05479	5.5
92.04996	0.5
93.03368	0.6
94.04182	60.2
95.04494	2.0
95.05028	2.6
95.08598	0.8
96.04446	0.5
100.77322	0.5
105.03385	0.8
105.04478	0.5
107.04947	2.3
109.06513	2.5
109.10162	1.4
110.01391	0.6
110.06055	0.6
119.04935	0.7
121.06510	0.6
122.03642	77.4
122.07265	1.6
123.03974	4.8
128.56123	0.5
135.04373	0.7
137.02507	6.0
137.05968	100.0
137.09554	4.4
137.10608	1.2
138.01729	2.3
138.05440	1.5
138.06320	5.6
147.33064	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
51.02376	1.0
53.03942	4.0
55.01856	2.9
55.05498	2.2
55.63091	0.6
64.96215	0.5
65.03940	4.4
66.04716	10.0
67.05500	26.3
69.03420	1.7
69.07047	1.0
71.06277	1.2
77.03914	1.9
79.05489	10.8
81.03389	4.0
81.07048	12.4
82.07387	0.9
91.04923	1.1
91.05473	16.5
92.05805	1.3
93.07050	4.0
94.04182	64.8
94.07827	0.7
95.04401	3.2
95.05013	7.6
95.08093	0.8
95.08614	6.0
96.04488	1.6
103.05470	1.5
104.06223	0.9
105.03374	1.5
105.04523	1.1
107.04945	21.5
107.08596	2.3
108.05245	1.1
109.02875	0.7
109.06509	7.7
109.09401	1.6
109.10148	27.3
110.06091	0.8
110.06809	0.7
110.10501	1.9
111.00661	0.7
117.07013	0.9
117.09471	0.6
119.06094	0.8
119.08592	9.5
120.04402	0.9
120.08923	0.9
121.06483	7.8
122.03641	78.9
122.07280	74.9
122.08214	1.6
123.03948	4.0
123.07629	6.1
135.04341	0.8
135.08061	3.9
137.02502	11.2
137.05966	100.0
137.09605	57.9
137.10588	1.5
138.01744	4.2
138.05441	1.7
138.06328	5.5
138.09039	1.1
138.09946	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	137.096
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
51.37224	0.9
53.03933	3.2
53.59655	0.9
55.01856	2.6
55.05512	18.7
59.59446	0.9
65.03941	4.4
65.63055	0.8
66.04708	3.9
67.05502	100.0
68.05833	3.4
69.03409	1.9
69.03714	4.9
69.04137	4.2
69.07051	4.8
69.23855	0.8
70.37215	0.9
72.98655	0.9
77.03899	1.3
78.63132	0.9
79.05487	9.3
80.06239	1.2
81.03387	2.3
81.07054	32.4
82.07403	1.7
84.17470	1.0
91.05471	14.9
93.07047	5.1
94.03628	1.7
94.04182	20.5
95.04974	15.3
95.08592	10.1
105.04465	1.1
105.07008	0.9
107.04938	3.3
107.08592	5.7
109.06526	11.0
109.10152	67.5
110.10483	4.8
114.79863	0.9
117.06989	2.6
119.04998	1.0
119.08555	4.4
122.03639	25.1
122.07259	6.2
123.03950	1.2
128.95369	0.9
137.02437	4.1
137.03508	1.1
137.05962	34.7
137.09615	22.0
138.01721	1.5
138.06328	2.7
155.20103	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
50.01592	0.7
53.03778	0.6
53.03950	5.9
55.01866	2.6
55.05515	5.1
57.03448	1.0
65.03931	5.8
66.04724	10.3
67.05502	39.6
69.03427	4.0
69.07060	2.0
69.64498	4.2
77.03913	1.8
79.05493	13.3
81.03425	7.4
81.07050	19.5
82.07393	0.8
83.04984	1.1
91.04932	1.5
91.05478	22.1
92.05798	1.0
93.07043	4.9
94.04187	65.1
94.07812	1.1
95.04490	1.7
95.04993	10.0
95.08611	7.1
95.27542	0.7
96.04475	1.0
96.08942	0.8
103.05463	1.7
104.06255	0.9
105.03392	1.1
105.04516	1.7
105.07029	0.8
106.64202	0.7
107.04950	18.2
107.08580	4.1
108.05248	0.8
109.02890	0.8
109.06519	24.0
109.10156	22.7
110.06070	1.4
110.06871	1.6
110.10484	1.8
117.07019	1.8
119.06075	1.2
119.08579	8.8
120.08880	0.9
121.06512	5.6
122.03645	77.1
122.07286	49.9
123.03972	4.0
123.06798	0.9
123.07614	2.2
127.03894	1.0
135.04420	1.6
135.08075	1.9
137.02417	11.6
137.03497	3.9
137.05975	100.0
137.09610	42.9
137.10539	1.0
138.01784	4.0
138.05450	0.9
138.06337	7.3
138.09970	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	137.096
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
50.07701	0.5
51.02370	0.7
53.03943	3.5
55.01862	1.4
55.05496	2.0
65.03923	2.0
66.04724	2.7
67.05502	26.9
68.05806	0.8
69.03413	1.6
69.07049	1.0
69.41698	2.9
69.42095	1.2
77.03915	1.1
78.04689	0.5
79.05490	5.7
79.28310	0.4
81.03402	1.8
81.07056	8.7
91.05477	15.3
92.05795	0.7
93.07050	4.5
94.04182	20.3
94.07818	1.6
95.05014	2.6
95.08620	4.7
98.22655	1.1
99.84256	0.5
103.05444	1.9
104.06230	1.6
105.04509	1.1
107.04949	27.4
107.08569	1.1
108.05282	1.4
109.06505	0.8
109.10152	30.2
110.10487	2.0
117.07018	1.4
119.08572	14.9
119.09402	1.0
120.08913	0.9
121.06492	8.9
122.03643	24.4
122.07280	100.0
123.03979	1.2
123.07624	6.6
129.41711	0.5
135.08057	4.1
137.02335	2.7
137.03459	2.1
137.05975	32.0
137.09607	67.0
138.06320	2.2
138.09937	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	137.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02398	0.5
53.03941	2.6
53.99463	0.3
55.01875	0.8
55.05514	1.9
57.73191	0.3
63.40931	0.3
65.03951	0.9
66.04714	1.7
67.05502	28.8
68.05846	1.1
69.03425	1.8
69.04698	0.3
69.07074	1.4
69.57661	1.9
77.03936	0.8
77.48249	0.3
78.04745	0.5
79.05496	5.6
80.05829	0.5
80.06275	0.4
80.66466	0.4
81.03433	0.8
81.07054	8.4
91.05478	15.0
92.05827	0.9
93.07040	3.6
94.04182	11.3
94.07825	1.9
95.04469	0.5
95.04983	3.3
95.08604	5.3
96.04480	1.9
96.08942	0.4
99.23067	0.4
103.05482	1.6
104.06260	1.6
105.04528	1.1
107.04952	25.9
107.08556	1.8
108.05304	1.2
109.01624	0.4
109.06512	1.5
109.10152	28.3
110.09826	0.3
110.10471	1.8
115.05497	0.4
117.07030	2.4
119.08574	16.2
120.08912	1.2
120.82635	0.4
121.06504	8.8
122.03656	11.8
122.07284	100.0
123.03983	0.6
123.07612	6.2
135.04327	0.4
135.08051	3.6
136.31100	0.3
137.02380	0.8
137.05983	15.7
137.09607	71.2
138.06352	0.8
138.09958	5.0
139.07486	0.4
149.07043	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1325
Annotation	ALPHA-PHELLANDRENE
Peak:m/z	Relative Intensity
52.04891	0.8
53.03949	2.0
55.05514	6.5
57.07073	11.1
61.09831	0.8
65.03931	1.2
67.05503	32.1
68.05835	0.9
69.07063	6.0
69.23398	4.1
69.23814	2.4
79.05490	9.2
80.26450	0.7
81.07053	67.0
82.07381	3.8
85.07970	0.8
91.05472	2.7
92.85865	0.9
93.07042	6.4
94.04173	5.0
95.08601	100.0
96.08951	5.7
107.08612	1.1
109.10154	5.4
122.03616	5.7
137.02440	2.4
137.05965	7.2
137.09645	1.4
137.13257	9.1
138.01724	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03473	1.0
55.01867	1.5
55.05504	1.5
65.03944	0.9
67.04250	1.7
67.05514	0.5
67.40497	0.4
68.05026	6.5
69.03427	27.4
70.03769	0.7
80.05013	1.2
82.02997	0.5
82.06575	9.8
93.07050	0.7
96.04488	100.0
97.02892	4.6
97.04232	0.6
97.04813	4.3
108.84741	0.5
110.06059	3.3
111.04412	0.4
136.03928	0.6
138.01740	1.1
138.05486	21.4
139.03937	0.9
139.05872	1.1
139.07582	0.7
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	Gentisate aldehyde
Peak:m/z	Relative Intensity
53.00306	17.2
53.03933	1.4
54.00631	0.6
55.01870	3.1
55.05497	2.0
56.96568	7.8
57.76011	0.7
65.03940	29.2
66.04257	0.8
67.01846	2.0
67.05489	2.2
68.99788	6.4
69.03417	2.1
71.01343	0.8
71.95261	2.8
81.03416	1.6
83.04966	4.4
93.03402	7.7
93.43456	0.7
97.02883	1.8
98.97579	29.3
111.04436	19.0
112.03951	0.7
112.04773	1.2
116.97314	0.8
116.98622	18.2
121.02863	35.9
121.03927	2.0
122.03204	2.8
125.02381	0.9
127.74324	0.8
132.10794	0.6
134.99646	7.0
139.03896	100.0
139.08665	1.1
139.11148	0.7
140.04225	6.0
149.63309	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0389
Annotation	Salicylic acid
Peak:m/z	Relative Intensity
50.01624	0.2
53.00300	0.6
53.03939	0.2
55.01862	0.5
55.05520	0.3
56.96563	1.2
57.84427	0.2
64.42538	0.2
65.03938	10.2
66.04280	0.5
69.03441	0.3
69.46154	1.1
69.46573	0.3
71.95257	0.3
80.02615	0.4
83.04977	0.3
93.03392	3.6
95.04989	0.3
98.03671	0.4
98.96956	0.4
98.97575	5.6
101.53405	0.2
111.04431	3.1
116.98621	2.9
121.02858	100.0
121.03890	4.2
122.03187	6.5
122.04176	0.3
122.04383	0.2
125.02341	0.4
134.99667	1.1
139.03893	7.7
139.12343	0.3
140.04276	0.4
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	Gentisate aldehyde
Peak:m/z	Relative Intensity
53.00303	16.0
53.03940	1.1
55.01856	3.4
55.05499	1.6
56.96559	3.0
64.95709	0.6
65.03939	21.4
66.04285	0.9
66.94011	0.7
67.01855	2.6
67.05494	2.1
68.99791	5.7
69.03424	0.9
69.54149	2.8
71.01357	1.3
71.95264	1.0
80.17362	0.6
83.04991	2.9
93.03400	5.4
95.04948	0.9
97.02883	1.1
98.97578	13.9
111.04440	12.0
111.39758	0.5
112.04774	0.8
116.98622	6.2
121.02856	14.1
122.03233	0.6
134.99677	2.5
139.03894	100.0
139.11143	0.6
140.04259	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	139.0389
Annotation	Sesamol
Peak:m/z	Relative Intensity
53.00299	1.8
53.03951	5.0
55.01871	9.3
55.05507	5.7
56.96569	6.4
59.04992	0.9
65.03941	22.0
66.04282	1.0
67.01859	7.0
67.05508	10.1
68.05831	0.8
68.99792	16.7
69.03421	5.1
69.07059	4.6
70.06593	2.9
71.01344	3.1
71.04990	0.7
71.95251	1.9
77.03925	1.2
79.05494	3.5
81.07045	1.5
82.95060	0.6
83.04982	12.5
91.05470	3.7
93.03400	14.5
93.07038	8.7
94.03737	0.7
94.06569	0.7
95.04967	6.9
95.08602	2.1
97.02891	4.8
97.06517	6.0
98.97583	24.5
99.00833	1.2
107.04951	0.8
109.06563	0.7
111.04439	28.2
111.08089	1.1
112.04759	1.3
116.98624	14.8
121.02863	6.4
121.03909	0.9
121.06467	1.6
121.10140	1.3
125.02345	2.2
134.99655	6.6
139.03896	100.0
139.07536	2.7
139.11185	2.6
140.04207	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	139.0389
Annotation	Sesamol
Peak:m/z	Relative Intensity
53.00284	0.8
53.03947	4.3
55.01865	8.8
55.05504	3.7
56.96550	2.5
59.05001	1.1
65.03938	24.1
66.04269	0.6
67.01555	0.8
67.01867	7.8
67.05497	11.0
68.99789	18.4
69.03419	2.9
69.70470	1.8
69.70879	1.0
71.01360	3.7
71.95258	1.1
83.04974	9.4
89.97737	0.6
93.03403	15.5
95.04958	2.4
97.02888	5.3
98.97583	12.2
99.00822	1.0
111.04435	30.0
112.04783	1.0
116.98611	6.4
120.50481	0.6
121.02879	3.4
121.03998	1.0
125.02371	0.9
126.57227	0.5
134.99640	2.1
135.16791	0.5
139.03894	100.0
140.04248	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	140.0681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42093	0.9
58.06577	1.4
66.03213	1.4
69.91451	3.7
74.09711	100.0
75.10038	2.3
80.99529	1.3
96.07858	3.7
114.08919	17.1
140.06813	73.8
141.07146	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	141.091
Annotation	7-Hydroxy-6-methylhepta-3,5-dienal
Peak:m/z	Relative Intensity
51.45834	0.9
53.03944	2.9
55.05512	11.6
57.02323	0.8
57.03432	4.8
60.04511	1.0
65.03951	1.1
67.05505	40.0
68.05836	1.5
70.68974	1.1
70.69291	1.2
71.04987	3.6
79.05493	13.2
81.03436	6.7
81.07054	85.2
82.07391	3.4
83.08619	0.8
85.02895	1.4
85.06550	1.5
91.05471	1.3
91.38808	0.9
93.07041	7.2
95.04962	2.2
95.08604	100.0
96.08949	4.4
97.06520	1.8
98.97540	1.0
99.04453	2.7
99.08090	9.7
105.07034	5.6
109.02867	6.9
115.05466	2.6
119.01947	1.3
123.08069	10.9
123.11664	1.0
124.08403	1.5
136.00206	0.9
141.06969	7.5
142.04971	1.2
142.07709	2.3
142.12332	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
65.37364	1.0
66.72821	0.9
70.40942	2.4
70.99881	1.1
81.04558	1.7
82.99855	2.6
87.02080	1.0
87.04502	1.1
89.82317	1.1
94.96853	1.0
100.02466	5.3
101.00878	43.7
102.00953	2.3
104.24622	1.1
114.05539	3.5
118.03523	13.4
119.01916	100.0
120.02054	3.9
124.02463	2.5
136.04538	7.7
137.02946	22.4
138.03072	1.3
142.03496	19.6
142.08554	1.0
142.12299	2.0
143.03517	3.1
154.77969	1.0
160.04550	9.9
161.03014	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05007	1.3
59.46418	1.2
60.06708	1.9
69.72671	8.1
70.04234	1.5
82.13403	1.8
82.99856	4.1
98.22660	1.9
100.02499	8.1
101.00882	38.5
102.00955	2.1
118.03522	12.5
119.01923	100.0
120.02039	5.0
129.49710	1.5
136.04558	6.0
137.02965	17.7
138.02966	2.4
142.03491	16.9
143.03482	1.5
160.04582	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	142.035
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03417	2.2
69.30254	4.9
69.30669	5.2
82.03771	2.1
82.99836	5.3
83.96569	1.3
97.06533	2.8
100.02488	4.4
101.00881	40.7
107.35525	1.4
109.02879	1.5
110.03210	9.7
118.03535	11.0
119.01921	100.0
120.02050	3.7
124.02406	1.8
125.07114	2.7
136.04550	10.0
137.02962	24.2
142.03500	14.0
143.03503	3.3
160.04568	8.8
164.54681	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65583	1.0
71.18920	1.8
74.24459	1.0
75.65792	1.1
82.99838	2.7
91.41519	1.3
100.02498	6.8
101.00233	2.1
101.00885	39.3
102.01022	1.6
111.28646	1.2
118.03537	9.0
119.01920	100.0
120.02032	4.6
124.02440	2.2
136.04564	7.6
137.02962	20.8
142.03494	19.9
155.69003	1.2
160.04547	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	142.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30336	1.1
58.99865	1.2
69.60359	7.0
69.60690	2.2
82.99853	3.5
94.33205	1.7
97.02888	1.9
100.02478	5.2
101.00876	37.8
102.00981	2.5
103.25667	1.2
118.03516	12.5
119.01917	100.0
120.02024	5.3
124.02477	1.7
125.02361	1.7
125.07153	1.9
136.04547	9.2
136.66368	1.1
137.02953	24.9
142.03479	16.6
143.03619	1.7
149.84375	1.2
160.04587	7.3
161.04665	1.2
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	Cleroindicin A
Peak:m/z	Relative Intensity
53.03935	3.3
55.05511	18.9
57.03429	2.4
57.07072	21.9
59.04993	3.6
65.03934	3.0
67.05499	13.6
69.03411	6.8
69.07062	5.4
71.04991	100.0
71.09258	4.3
71.09599	3.4
72.05327	3.1
73.06549	8.5
73.14914	1.8
74.06075	7.1
79.05092	1.8
79.05477	11.8
81.07052	4.9
83.04987	11.2
83.08621	8.4
84.08154	1.9
85.06544	41.6
91.05486	4.2
91.09270	2.1
97.02888	4.3
97.06532	4.2
97.10183	7.9
98.09660	2.3
102.96881	4.0
107.08598	24.3
108.08909	2.4
119.01929	3.3
120.97929	3.3
121.00765	2.1
125.05984	2.8
125.09629	11.9
128.06226	7.6
134.75218	2.2
137.03004	2.6
139.01817	4.0
143.03395	7.8
143.10657	3.2
144.08105	2.5
144.10191	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	143.1067
Annotation	trans-2-Octenoic acid
Peak:m/z	Relative Intensity
55.05513	16.8
57.07070	16.9
59.05000	2.3
63.67886	1.2
63.98265	1.1
65.03935	2.1
67.05512	6.6
67.48039	1.4
69.03438	8.4
69.07055	2.9
71.04993	100.0
72.05328	1.8
72.10989	1.3
73.06554	10.9
79.05489	5.9
81.07053	4.3
83.04971	10.3
83.08611	10.1
85.06542	49.9
86.06906	2.1
88.50323	1.4
91.05496	2.9
97.10168	15.6
98.06073	1.8
107.08590	33.1
108.08946	2.7
109.06519	1.4
125.09632	26.1
126.10025	1.7
128.06216	10.5
129.07011	1.8
143.08508	3.6
143.10696	7.4
144.08102	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.6
55.01867	2.2
55.05508	19.1
57.07071	19.0
59.04998	2.9
60.40809	1.3
65.03933	1.8
67.05516	7.3
69.03423	7.3
69.07058	3.8
69.21104	1.3
69.21351	7.9
69.21761	3.9
71.04990	100.0
71.94547	1.4
72.05325	3.2
73.06557	12.0
79.05480	6.6
81.07062	4.3
83.04976	11.0
83.08611	10.4
85.06540	45.1
85.07056	2.3
86.06853	1.8
91.05450	2.6
97.02914	3.3
97.10159	11.2
105.07065	2.0
107.08595	33.2
108.08883	2.0
121.26521	1.5
125.02364	1.6
125.09624	22.8
128.06224	11.2
131.42838	1.4
134.20915	1.5
143.08568	2.2
143.10710	7.1
161.43117	1.4
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	trans-2-Octenoic acid
Peak:m/z	Relative Intensity
51.62903	1.9
55.05516	17.3
57.07077	15.5
59.05008	2.2
67.05502	7.8
69.03422	7.1
69.32769	14.2
69.33162	4.2
71.04993	100.0
73.06558	10.1
79.05489	6.6
81.07058	4.6
83.04984	10.3
83.08625	7.5
85.06548	45.4
91.05475	3.4
97.10155	9.2
100.31923	2.3
107.07932	3.0
107.08599	31.2
118.61524	1.9
125.09635	20.4
128.06212	8.8
143.08534	2.6
143.10675	3.7
158.90007	2.0
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	trans-2-Octenoic acid
Peak:m/z	Relative Intensity
53.03910	2.0
53.33699	2.3
55.01849	3.2
55.05515	22.7
57.07075	17.9
59.05011	4.0
65.03949	3.0
67.05498	11.8
69.03426	6.3
69.07076	5.1
71.04993	100.0
71.31481	3.3
72.05312	2.8
73.06553	11.4
79.05470	3.4
81.07044	4.3
81.93428	2.2
83.04980	8.5
83.08613	9.9
85.06544	41.6
86.06837	3.5
91.05464	4.2
93.06780	2.1
97.10170	9.1
98.06074	3.3
103.05433	2.9
107.08599	26.9
115.05435	4.7
125.09633	16.3
128.06223	36.3
129.06464	2.2
143.03416	4.1
143.08549	8.7
143.10620	4.4
144.08008	4.2
144.10228	4.1
157.99763	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	144.0325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.4
56.05030	1.0
58.06597	11.1
60.95836	2.3
60.98717	1.7
62.92978	4.6
68.05004	1.0
70.06593	1.7
70.49242	2.5
71.04990	1.1
72.08166	0.9
78.99767	4.1
80.78501	1.0
81.03397	1.3
84.04486	1.4
84.08144	9.9
84.99580	1.1
85.02896	1.6
96.04534	1.0
97.00816	7.6
97.21820	0.9
98.06035	5.4
98.09692	0.9
98.97564	1.9
99.04471	1.6
101.00888	3.3
102.00944	8.1
102.02240	2.7
102.05525	1.8
102.96867	3.4
103.00634	17.6
116.07061	1.1
116.98627	1.8
117.07017	1.1
119.01917	13.8
120.02016	50.1
120.03262	11.1
120.90631	1.0
120.96496	1.0
120.97897	4.9
121.00814	7.9
121.01654	100.0
121.96636	8.5
122.01965	1.1
126.02187	1.8
126.05548	1.7
134.99591	1.4
136.04561	0.9
137.02934	6.8
138.03064	26.0
138.04300	12.4
138.98929	3.9
139.01785	20.4
139.02708	49.7
143.03561	1.6
144.03220	17.8
144.05597	1.2
144.06549	2.1
144.08199	6.4
144.10191	43.7
144.13736	1.1
145.03641	1.5
145.07600	1.1
145.10498	2.2
162.04300	12.1
163.04594	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.1018
Annotation	1-Aminocyclohexanecarboxylic acid
Peak:m/z	Relative Intensity
53.03947	0.5
55.01857	0.6
55.05507	2.2
57.03435	0.7
57.04544	0.6
58.06598	19.7
59.05013	0.3
59.06928	0.7
59.62853	0.3
64.17684	0.3
65.31433	0.3
69.03425	1.9
70.06590	21.8
70.50170	0.6
70.50497	0.5
71.04982	2.5
71.06921	1.0
72.08153	0.9
74.07208	0.6
84.04498	0.3
84.08139	28.7
85.02894	3.8
85.06533	4.4
85.08472	0.9
86.06062	0.3
87.48725	0.3
88.07655	0.3
97.02880	0.3
98.09688	15.0
99.04443	1.3
99.10046	0.7
102.05537	2.5
104.37738	0.3
104.38431	0.3
112.08727	1.4
128.66042	0.3
137.95990	0.3
144.10191	100.0
145.10539	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	144.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.0
55.01870	3.9
55.05509	4.0
55.45979	0.5
56.05005	0.6
57.03438	5.8
57.04541	0.7
58.06596	20.2
60.98727	0.8
61.02900	0.5
61.41715	0.5
62.92979	0.5
65.52337	0.5
69.03057	1.0
69.03425	16.4
70.06586	30.5
70.36288	1.3
71.04988	4.2
71.06936	0.9
72.08141	1.0
73.02911	1.1
74.07201	0.6
81.03407	2.1
82.06572	0.9
84.04492	0.9
84.08138	34.7
85.02900	33.8
85.06538	5.2
85.08474	1.1
86.70943	0.4
87.04476	0.5
88.07657	0.6
97.02882	5.7
98.06061	1.2
98.09687	32.5
99.04451	8.2
99.10026	1.6
102.00970	0.7
102.05522	2.2
103.00655	0.8
109.02859	0.8
112.08716	1.8
115.03918	0.6
120.02018	1.8
121.00758	1.6
121.01662	3.4
121.96605	0.6
126.05440	0.5
127.03899	3.5
129.07832	0.5
139.01799	2.7
139.02689	0.8
144.03264	0.7
144.10187	100.0
145.04976	0.5
145.10545	5.1
162.04312	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0495
Annotation	1,5-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose
Peak:m/z	Relative Intensity
53.03940	3.8
55.01873	13.0
55.05511	8.5
56.05036	1.6
56.96563	0.7
57.03437	18.4
58.06598	1.8
59.04988	0.7
59.06929	0.9
60.05650	7.7
61.02922	3.4
66.34384	0.7
69.03427	58.8
69.40493	3.5
69.40900	1.3
70.03751	1.0
71.01366	1.0
71.04984	2.7
72.99612	1.0
73.02917	1.9
81.03411	6.6
82.06579	21.7
83.01331	1.4
83.06111	0.9
84.08150	0.7
85.02903	100.0
85.08483	2.2
86.03221	2.8
86.06065	31.8
87.04466	37.8
97.02885	17.2
99.04447	21.0
99.10033	2.0
100.07616	10.7
101.00870	0.8
101.06005	1.0
103.00654	4.9
104.07116	4.5
109.02881	1.7
110.01834	0.6
111.05540	4.6
111.89590	0.7
119.01895	1.4
121.01660	15.3
127.03899	7.6
128.07080	4.3
128.08183	3.0
129.06599	1.0
139.02699	1.9
145.10547	10.5
146.06128	1.0
146.08118	3.9
146.09253	13.5
150.43129	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0495
Annotation	1,5-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose
Peak:m/z	Relative Intensity
53.03947	7.2
54.06968	0.8
55.01873	13.0
55.05518	5.0
56.96566	12.2
57.03435	19.2
57.75532	0.9
59.04980	1.4
61.02929	12.1
69.03430	55.5
69.53842	5.1
70.03751	2.0
70.09817	1.0
71.01348	1.7
71.04987	5.9
72.08142	2.0
73.02914	3.0
73.06547	2.6
81.03417	13.3
82.06565	3.0
83.01343	3.4
83.04983	1.2
84.99620	1.4
85.02905	100.0
86.03252	1.7
86.06073	2.3
87.04469	3.1
91.05495	1.7
92.08466	0.9
97.02894	30.8
98.03181	1.3
98.97572	8.5
99.04465	13.7
100.07609	1.3
101.00856	2.3
103.00637	13.9
109.02871	5.3
110.97572	1.2
116.98631	3.3
117.07018	1.9
119.01922	8.4
120.01995	3.0
121.01665	56.7
121.96622	2.4
122.01991	2.5
123.02135	1.2
127.03922	7.0
129.02174	0.9
134.99707	1.0
137.02942	3.2
139.01799	1.3
139.02711	19.9
145.03558	1.2
145.05002	1.0
145.07579	1.6
145.10239	0.9
146.06004	6.4
146.08145	1.7
147.03267	2.6
158.99640	1.3
161.03003	1.3
163.02585	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.2
54.48024	1.8
55.05503	7.2
57.03422	2.8
62.92984	11.2
67.05489	11.1
69.03424	4.8
71.04976	1.9
71.31570	2.3
71.31961	2.5
71.66274	1.8
72.04469	2.4
72.08144	4.4
73.92359	1.9
79.05494	7.1
81.03381	4.4
82.06582	21.7
84.04500	4.2
85.02896	6.2
86.06046	6.3
89.03905	5.4
91.05473	42.2
96.81036	2.0
97.02887	2.7
99.04450	3.1
100.07614	9.0
103.05452	7.3
105.07026	78.2
106.07378	3.1
110.06010	2.3
111.04403	2.1
115.05454	24.7
116.06226	7.7
117.05769	2.5
117.07014	63.8
118.06532	5.6
118.07324	2.8
121.95879	2.5
121.96663	17.7
128.04941	4.7
128.06190	8.6
128.07097	6.2
129.07002	20.0
130.07785	55.7
131.08113	3.9
139.01781	2.3
143.08516	9.3
145.06459	7.7
145.07622	5.5
145.10110	100.0
146.06021	17.0
146.08090	7.5
146.10426	8.5
155.06000	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	145.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.9
55.05492	3.5
55.53073	1.8
60.38156	1.9
62.92977	4.0
67.05495	4.5
68.42497	1.9
69.03405	2.2
69.11474	16.0
79.05468	5.3
82.06569	9.5
83.04985	2.6
84.04493	3.3
86.06046	3.5
89.03918	4.1
91.05476	35.3
92.05795	2.5
99.04452	2.4
100.07615	5.3
102.04687	2.8
103.05453	6.2
105.07025	99.3
106.07341	5.2
115.05453	30.6
116.06234	5.7
117.07011	75.9
118.07333	4.4
121.96637	12.9
128.06223	11.7
129.07005	21.4
130.07784	61.7
131.08121	6.3
143.08569	14.5
145.06467	17.6
145.10112	100.0
146.06004	8.5
146.08113	7.3
146.10487	10.3
155.05998	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	145.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12441	0.9
62.92984	3.4
63.14448	0.8
65.03937	1.0
66.26200	0.8
67.05496	1.5
71.32632	1.6
79.05485	5.5
82.06591	1.9
88.14987	1.1
89.03899	1.4
91.05474	22.2
91.33784	1.0
92.05794	1.7
94.16885	0.9
103.05464	5.7
105.07030	86.5
106.07353	4.8
115.05445	19.6
116.06219	3.8
117.05789	1.0
117.06161	1.7
117.07018	43.7
118.07344	2.9
121.96634	5.6
128.06215	9.4
129.07014	17.5
130.07790	55.3
131.08156	3.9
143.08582	12.9
145.06471	2.0
145.10120	100.0
146.05975	2.5
146.10463	8.1
155.06099	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.6
55.05519	15.2
56.85070	1.5
57.03430	4.3
57.07081	11.1
60.24956	1.4
67.05525	7.8
69.03434	9.5
69.07063	5.3
69.44960	2.6
69.45370	8.3
71.04996	23.5
71.19823	1.3
73.06554	21.1
75.04486	3.9
79.05489	4.2
81.03418	3.0
81.07046	2.4
82.06576	2.4
83.08623	3.6
85.02901	14.3
85.06524	1.9
86.06059	1.6
87.08110	4.5
89.03922	1.9
91.05482	26.2
92.05811	2.5
97.02905	5.1
99.04459	2.0
103.05468	4.2
105.07030	92.2
106.07364	4.7
109.10174	11.9
115.05463	19.9
116.06248	4.3
117.07021	45.6
118.06538	2.1
118.07280	2.1
121.96615	1.9
127.11209	16.0
128.06226	10.0
128.07076	3.0
129.07027	15.1
130.07797	56.1
131.08133	4.0
143.08588	13.3
144.08916	1.8
145.06473	6.7
145.10124	100.0
146.05983	5.9
146.10442	6.8
155.06064	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.06
Annotation	Indole-3-carboxaldehyde
Peak:m/z	Relative Intensity
51.02382	0.9
51.25463	0.5
53.03942	0.8
55.05507	1.5
55.50066	0.5
59.99298	0.5
64.92783	0.6
65.03938	1.0
69.58017	2.6
72.08135	1.7
77.03904	0.8
81.03412	0.6
82.06586	4.4
83.04980	0.6
84.04476	1.1
84.08147	0.6
86.06062	1.0
91.04934	0.9
91.05477	13.8
95.04972	0.7
98.23428	0.5
100.07578	1.1
104.04957	0.6
104.90794	0.5
112.11168	0.6
117.05745	1.2
118.06550	6.8
119.04932	7.0
119.08562	0.8
123.96387	0.8
128.04959	54.3
128.36420	0.5
129.04463	2.3
129.05318	3.7
146.06001	100.0
147.04483	2.5
147.06358	7.5
147.08078	0.9
147.09177	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.06
Annotation	Indole-3-carboxyaldehyde
Peak:m/z	Relative Intensity
51.82380	0.6
55.05509	1.2
62.05846	0.6
64.92822	1.0
65.03946	1.2
69.81303	1.2
69.81712	2.5
72.08155	2.5
81.03426	1.3
82.06577	3.9
84.04488	1.4
85.08144	0.7
86.06090	1.7
91.05477	32.8
92.05807	1.0
95.39180	0.7
100.07628	2.0
112.11172	0.8
117.05743	6.3
118.06537	100.0
119.04945	0.7
119.06847	6.3
123.96431	1.4
128.04964	9.5
128.07054	0.8
129.05359	0.8
146.06001	25.8
146.08092	2.1
147.04433	1.4
147.06392	1.5
147.09167	0.9
152.26019	0.6
155.21019	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0924
Annotation	4-Guanidinobutanoate
Peak:m/z	Relative Intensity
53.03963	1.0
55.01853	0.7
55.05512	14.7
56.05035	4.1
56.96546	0.9
57.03433	1.9
58.03781	0.8
60.05647	22.3
60.08168	1.4
67.04250	0.7
68.05034	1.4
69.03428	14.0
70.03756	1.8
70.17601	1.7
70.17947	1.1
72.08147	1.3
73.02923	0.7
82.06581	40.4
83.04972	1.3
83.06117	4.6
83.06902	1.7
84.04505	24.0
84.08138	14.3
85.02918	3.1
86.03222	3.2
86.06067	77.9
87.04467	100.0
87.06364	3.1
88.04803	2.2
91.05487	2.7
97.02865	2.0
98.03226	0.9
98.97569	1.0
100.07618	16.6
101.00900	1.0
101.01738	1.9
101.06025	1.5
102.02402	1.0
103.00610	0.9
104.07101	12.8
108.45696	0.6
111.05566	11.2
119.01923	1.8
119.04939	1.4
121.01661	1.5
128.07094	7.0
128.08209	7.0
129.06598	1.7
130.04991	5.4
130.08673	1.0
131.01910	1.4
146.06052	1.8
146.08119	7.5
146.09254	34.5
146.11717	1.1
147.05138	1.3
147.09662	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51078	0.9
53.59606	0.9
55.05510	2.8
57.07071	9.4
64.92799	1.8
65.03932	2.7
69.04363	9.6
71.73804	1.0
72.08152	3.4
82.06569	6.0
84.04507	2.1
86.06076	2.6
86.09700	100.0
86.34879	1.0
87.10034	4.4
91.05472	34.5
95.25172	0.9
100.07619	3.7
103.05457	1.3
104.14696	0.8
104.90807	1.1
105.07027	7.3
105.21422	0.8
111.04435	0.9
111.72382	0.9
112.11205	1.3
117.05748	1.7
117.07020	2.3
118.06525	3.7
119.04942	15.8
119.08563	8.1
123.96471	4.5
128.04997	2.1
128.07031	1.6
129.04399	0.9
131.04909	1.6
132.05702	1.2
146.06015	12.2
146.08104	3.0
146.11737	7.8
147.04416	11.9
147.05492	2.0
147.08064	3.0
147.09145	1.3
147.11700	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0436
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
53.03933	0.3
55.05504	0.8
61.96403	0.4
63.02365	0.5
64.92793	2.9
65.03938	12.7
67.33923	0.3
68.03243	0.3
69.54668	2.4
70.82120	0.3
71.35600	0.3
72.14674	0.4
73.80611	0.3
78.00952	0.4
79.05483	1.3
81.07063	0.5
91.05476	100.0
92.05807	4.3
93.07053	0.5
103.05484	0.5
105.05776	1.1
105.07027	8.5
106.90515	0.4
108.04459	0.5
113.67962	0.4
117.07020	1.0
118.04147	0.4
119.04937	70.6
119.08576	9.0
120.04445	0.6
120.05254	4.4
120.08084	1.3
120.08873	0.5
123.96442	4.7
130.06566	0.8
133.05200	2.7
145.10091	0.6
147.04411	21.4
147.05470	1.3
147.09132	0.9
147.11693	3.6
147.87555	0.4
148.04759	1.3
148.07570	11.2
156.60736	0.3
168.43237	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.044
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
55.05506	0.4
55.63241	0.4
63.29362	0.3
64.61565	0.3
64.92812	2.4
65.03940	11.8
65.81726	0.3
69.48824	0.7
69.49239	1.8
70.70795	0.4
79.05480	0.6
81.77054	0.3
91.05478	100.0
92.05811	4.0
93.06998	0.5
103.05450	0.4
105.05813	0.4
105.07027	5.1
117.06992	0.7
119.04940	83.0
119.08591	6.0
120.05266	4.2
121.03981	0.4
123.96452	3.4
130.02895	0.4
133.05205	0.8
145.10056	0.4
146.98070	0.4
147.04410	25.7
147.05420	0.9
147.08070	0.9
147.09145	0.7
147.11678	2.6
148.04799	2.0
148.07545	4.2
157.77574	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23951	0.5
64.92813	4.3
65.03941	10.7
69.55247	1.7
69.55653	1.4
84.04466	0.6
86.04974	0.5
91.05481	100.0
92.05820	5.1
98.23289	1.2
103.05493	0.7
104.04996	0.7
105.07036	3.3
119.04945	85.9
119.08588	4.1
120.05256	4.7
123.96458	4.1
133.05231	0.9
147.04413	27.3
147.05453	1.0
147.11682	2.1
148.04761	1.8
148.07571	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	147.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65909	0.4
55.05508	1.1
56.73591	0.5
61.66047	0.4
65.03939	12.9
65.04279	0.9
65.48892	0.4
68.13552	0.4
69.39297	2.9
71.05002	0.7
76.64012	0.4
85.02901	0.8
91.05478	100.0
92.05807	4.0
95.04964	0.4
103.05472	1.0
104.90820	0.5
105.07027	4.5
105.37395	0.4
117.07011	0.7
119.04942	76.5
119.08570	4.9
120.05260	4.0
129.06929	0.5
132.05733	0.7
147.04402	33.4
147.06311	1.0
147.08047	1.8
147.09105	0.7
147.11697	1.7
148.04749	2.6
148.07574	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0441
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
51.02394	0.4
53.68760	0.3
63.83179	0.4
65.03936	13.2
69.28091	3.1
85.02914	0.4
91.05478	100.0
92.05818	3.1
105.07025	1.1
117.06997	0.5
119.04939	88.3
119.08593	1.4
120.05267	4.3
127.08321	0.3
147.04401	28.4
147.08084	0.8
147.11708	0.4
148.04756	1.6
155.98161	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0439
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
53.03939	0.6
55.05507	0.8
61.43867	0.6
64.92802	1.7
65.03939	12.0
66.83072	0.5
69.19689	4.8
91.05476	100.0
92.05795	4.4
103.05466	1.2
105.05812	0.7
105.07024	3.3
107.04964	0.7
117.07015	3.8
119.04937	75.7
119.08574	17.1
119.09435	0.9
120.04445	0.8
120.05254	4.7
120.08099	0.9
120.08934	1.3
123.96446	2.2
129.06987	1.1
132.05684	1.3
133.05226	1.3
147.04402	25.9
147.05435	1.1
147.08040	3.6
147.09076	1.0
147.11647	2.9
148.04765	1.2
148.07559	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	147.044
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
51.02379	0.5
53.03955	0.5
55.05510	2.2
65.03944	10.7
69.07076	5.0
70.81617	1.2
79.05493	2.2
81.07063	0.8
85.02911	0.5
91.05481	100.0
92.05815	3.5
93.07046	0.5
93.86977	0.6
102.04684	0.8
103.05471	1.2
104.06268	0.4
105.07030	14.6
107.04945	1.5
107.08595	0.6
115.05416	0.6
117.07009	3.0
119.04945	68.3
119.08583	21.0
120.05284	4.4
129.07021	0.6
132.05690	1.1
132.09337	1.0
145.10132	1.1
147.04407	40.3
147.08060	3.9
147.11682	9.1
148.04756	2.3
148.07549	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	147.0441
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
55.01868	0.5
55.05514	0.5
65.03941	7.8
66.04271	0.4
69.76866	1.5
89.03863	0.4
91.05480	100.0
92.05817	3.8
103.05463	1.3
105.07029	2.6
117.07014	0.7
119.04941	47.6
119.08568	3.5
120.05280	2.6
140.19347	0.3
147.04407	19.5
147.08063	0.7
147.11684	1.5
148.04759	1.6
148.07614	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.2
55.01873	0.7
55.05500	2.1
57.03432	4.6
59.04983	0.4
60.52827	0.4
64.92811	0.4
65.03939	11.3
66.04277	0.5
69.07073	1.1
69.67778	2.1
71.01334	0.7
71.04994	16.8
72.05342	0.4
73.02914	1.1
75.04476	1.3
79.05511	0.6
83.04975	1.0
83.08626	0.7
84.04494	1.3
85.02905	14.5
86.03226	0.7
87.04483	0.4
89.03918	0.4
90.00877	0.4
91.05478	100.0
92.05804	5.3
93.07074	0.5
95.04951	0.5
98.23298	0.6
102.04678	1.0
103.05458	1.7
105.03397	0.9
105.05801	0.8
105.07024	6.9
107.08569	0.5
109.36647	0.5
117.07010	1.8
119.04940	72.5
119.08582	9.5
120.05271	5.3
120.08082	0.8
120.08883	0.4
129.04564	0.5
129.06958	1.2
132.05771	0.4
133.05191	1.1
145.10143	0.6
147.04408	38.3
147.08051	3.3
147.09149	1.1
147.11635	2.7
148.04744	3.7
148.07536	6.0
153.70107	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0763
Annotation	D-Glutamine
Peak:m/z	Relative Intensity
51.98209	0.4
55.05502	1.2
56.05036	5.6
56.05832	1.9
60.05649	6.1
69.03399	0.4
69.27806	0.4
70.06588	28.3
70.79377	1.2
71.04990	11.5
79.92223	0.4
82.06572	1.4
83.06905	4.6
84.04499	100.0
84.08138	5.7
85.02902	2.4
85.04827	1.8
85.06548	0.4
86.06059	0.7
87.04470	0.9
87.06401	1.5
88.04803	1.6
88.07635	2.0
91.05478	1.4
101.07176	1.0
101.07960	1.8
102.05534	8.1
110.77934	0.4
112.08749	1.1
119.04954	0.5
129.07381	0.7
130.04993	15.7
130.08759	1.1
130.09749	13.3
131.05362	0.5
147.04410	1.0
147.08498	1.0
148.07553	1.6
148.10809	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0803
Annotation	4-Isopropenylbenzaldehyde
Peak:m/z	Relative Intensity
53.03935	1.5
53.16593	1.0
55.01860	2.1
61.23440	1.1
62.06293	1.0
63.22060	1.0
64.92780	1.4
65.03915	4.0
69.03424	2.6
70.86593	1.4
70.86915	1.3
71.04996	1.0
79.05492	7.4
82.75792	1.0
84.04475	2.8
91.05476	100.0
92.05798	5.3
93.07046	3.6
95.04964	2.4
103.05461	9.3
104.06248	6.9
105.03377	1.2
105.04469	1.3
105.05773	1.4
105.07024	5.6
107.04932	5.6
115.05455	5.9
117.07011	33.7
118.07318	1.7
119.04936	8.3
119.08574	77.8
120.08125	1.9
120.08910	5.2
123.96460	1.7
128.06218	11.8
129.07007	29.4
130.07323	1.8
131.04916	1.7
132.05745	9.5
133.05228	2.8
141.84113	1.3
147.04446	8.1
147.08034	44.8
147.09006	1.6
147.11694	2.2
148.07524	15.1
148.08424	1.8
148.66747	1.0
155.06136	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.9
54.70295	1.2
55.01856	2.4
65.03934	4.4
70.84844	2.3
79.05481	8.0
84.04489	2.2
86.25399	1.1
91.05476	100.0
91.67704	1.1
92.05793	4.6
93.07033	4.8
95.04957	2.6
102.04703	1.1
103.05473	7.3
104.06261	6.4
105.04504	1.3
105.05725	1.0
105.07024	6.9
107.04947	4.6
115.05453	4.4
117.07012	26.8
118.07323	2.8
119.04961	7.5
119.08576	74.0
120.08117	1.4
120.08896	5.4
123.96476	1.5
128.06215	12.8
129.07004	31.5
130.06482	1.3
130.07339	2.0
132.05724	8.4
133.05157	2.2
145.06470	1.9
147.04462	7.4
147.08038	47.6
147.11710	3.3
148.07500	14.0
155.06044	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0804
Annotation	4-Isopropenylbenzaldehyde
Peak:m/z	Relative Intensity
53.03933	0.5
64.92811	2.0
65.03934	3.0
69.24015	0.6
69.24422	2.5
79.05103	0.3
79.05492	2.4
86.27705	0.4
91.05479	49.5
92.05813	3.0
93.07030	2.7
95.04964	0.5
98.22601	0.8
103.05458	3.3
104.06269	2.2
105.05788	0.8
105.07046	1.9
109.06532	0.5
115.05442	1.8
117.07017	19.6
118.07352	1.4
119.04944	14.1
119.08578	100.0
120.04496	0.4
120.05279	0.8
120.08088	1.4
120.08894	7.7
123.96463	2.5
128.06223	1.6
129.06995	7.2
130.06528	1.2
130.07379	0.8
131.05994	0.4
132.05659	0.7
133.05246	2.0
141.98590	0.4
147.04410	4.2
147.05461	0.8
147.08046	11.7
147.09116	0.7
147.11688	1.5
148.04849	0.4
148.07523	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	147.1168
Annotation	Desmarestene
Peak:m/z	Relative Intensity
53.03937	1.2
55.05524	9.7
60.32121	1.0
64.92812	13.2
65.03915	2.1
66.56672	1.0
67.05508	2.3
68.63358	1.0
69.07060	3.4
79.04250	1.1
79.05505	8.3
80.05009	1.2
81.07047	1.8
84.98517	1.2
91.05479	39.1
93.07043	3.7
98.23364	2.0
103.05463	6.5
105.07032	91.9
106.07355	6.1
107.08577	4.5
116.06232	2.9
117.07021	15.4
119.04992	2.4
119.08585	100.0
120.08131	1.9
120.08915	8.0
123.96463	15.6
129.06938	1.3
130.06561	2.4
130.07750	1.2
131.08574	2.1
132.09392	5.9
133.05212	3.8
145.10121	9.5
147.04422	2.6
147.05505	1.8
147.08069	2.5
147.09181	2.4
147.11687	56.4
148.07581	24.1
148.08653	1.4
148.12102	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	147.1168
Annotation	Desmarestene
Peak:m/z	Relative Intensity
50.79286	1.0
51.78169	0.8
53.03939	1.1
55.05511	12.4
62.35664	1.0
65.03927	3.0
67.05486	2.9
69.07056	2.1
70.60119	1.1
71.17927	1.8
79.05479	8.8
81.07034	1.8
82.43998	0.9
91.05475	51.2
92.05808	1.9
93.07042	2.6
103.05452	4.0
104.06255	1.1
105.07024	86.6
106.07339	6.5
107.08581	4.5
115.05444	2.8
116.06215	1.9
117.07011	15.0
119.04951	9.6
119.08576	100.0
120.08919	6.4
129.06976	1.5
130.07762	1.5
131.08559	2.3
132.09351	6.7
133.05229	1.2
144.29898	1.0
145.10121	9.5
147.04402	7.3
147.08015	2.2
147.11678	52.5
147.97183	1.0
148.07507	4.7
148.11996	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	147.1168
Annotation	Viridiene
Peak:m/z	Relative Intensity
51.31434	1.0
51.48650	0.9
53.03934	2.1
55.05511	13.1
65.03932	5.9
67.05494	2.8
69.07056	2.7
69.79969	3.7
69.80383	1.7
73.93262	0.9
79.05496	8.4
80.05800	1.0
81.07032	1.1
83.70355	1.0
91.05478	89.3
92.05811	4.5
93.07034	4.0
95.04964	1.7
101.10129	0.9
103.05489	5.4
104.06270	1.4
105.03355	0.9
105.07025	100.0
106.07351	6.2
107.08595	4.1
108.83836	1.0
115.05421	2.4
116.06227	1.9
117.07014	13.8
119.04942	34.2
119.08575	95.6
120.05239	3.1
120.08144	1.4
120.08909	7.1
126.55881	1.0
130.07780	1.4
131.08559	1.6
132.05650	0.9
132.09340	4.1
133.05247	1.6
145.10110	7.7
147.04410	20.0
147.08057	5.7
147.11682	52.6
148.04909	1.3
148.07547	8.4
148.12030	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	148.0604
Annotation	L-Glutamate
Peak:m/z	Relative Intensity
50.68802	0.6
54.23052	0.6
54.50881	0.6
55.01877	1.5
56.05037	6.9
57.05383	0.6
60.05646	13.8
65.03938	50.6
66.08262	0.6
68.99767	0.9
69.03208	1.1
69.03609	5.3
70.06588	67.0
71.04991	25.7
71.06925	2.3
72.05302	0.9
80.02592	0.8
84.04501	97.9
84.69377	0.6
85.02898	2.6
85.04829	6.5
85.08463	0.7
88.07616	3.5
91.05481	1.5
93.03399	12.2
98.03666	2.9
102.05540	13.2
103.03898	0.6
105.05771	2.4
110.93308	0.5
111.04438	6.6
111.52744	0.8
112.08720	1.5
120.04458	1.7
120.08106	2.1
121.02866	57.3
121.03971	19.2
121.06467	0.9
129.31651	0.6
130.04991	5.7
130.09758	29.7
131.10086	1.5
133.05235	2.9
148.03903	1.3
148.04968	0.8
148.06197	0.9
148.07558	17.8
148.09610	1.2
148.10796	2.5
149.02333	100.0
167.03406	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	148.0604
Annotation	L-Glutamate
Peak:m/z	Relative Intensity
53.03936	0.5
55.01845	0.7
56.05033	7.6
56.96559	0.7
57.03443	0.8
60.08162	1.6
60.85352	0.4
61.02935	0.8
65.03938	18.3
70.06593	2.1
71.05000	1.1
71.31281	0.6
71.31651	0.7
84.04501	100.0
84.08139	0.8
85.02888	2.6
85.04361	0.6
85.04832	4.5
85.06548	1.5
85.08498	0.5
86.90509	0.5
88.03989	1.8
91.05493	0.6
93.03393	3.8
93.07015	0.6
98.03652	0.6
102.05538	13.6
102.09198	0.7
105.05782	1.0
111.04441	2.9
121.02872	21.3
121.03982	6.8
121.06429	1.2
130.04993	5.3
130.09741	0.6
131.05260	0.6
133.05273	0.9
148.06194	0.9
148.07587	5.1
148.09573	0.9
148.11383	1.6
149.02336	40.6
149.07919	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	148.108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.8
56.05032	4.1
58.98392	0.8
60.05343	1.5
60.05646	20.9
60.17628	0.8
65.03939	36.2
69.23241	6.6
70.06590	100.0
70.69838	0.7
71.04990	41.8
71.06919	2.8
72.05334	0.9
80.02630	0.9
84.04501	64.2
85.02885	1.5
85.04833	5.2
88.07627	5.5
93.03400	8.9
98.03670	1.9
102.05539	8.7
105.05766	0.9
111.04417	4.6
112.08715	3.3
120.08115	1.5
121.02879	43.9
121.03989	13.7
121.04783	1.2
121.06474	0.7
130.04979	5.6
130.09755	47.9
131.10112	1.0
133.05225	1.1
148.07567	11.4
148.08629	1.2
148.09732	1.3
148.10835	1.9
149.02338	74.1
149.07971	0.9
155.02469	0.6
162.78323	0.7
167.03442	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	148.108
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48220	0.8
50.86267	0.7
54.01049	0.9
54.18990	0.7
54.31808	0.7
55.01870	1.7
56.05028	1.5
58.26753	0.7
60.05645	19.0
65.03935	47.9
68.79910	1.0
68.99774	1.2
69.57292	4.1
70.06587	89.4
71.04987	32.2
71.06917	2.7
72.05302	1.5
72.93779	1.1
74.25035	0.7
80.04990	1.1
84.04500	31.8
85.02893	1.1
85.04836	0.7
88.07627	5.4
91.05443	1.2
93.03394	10.1
93.07050	1.1
98.03672	2.5
102.05521	4.8
105.05785	2.1
111.04427	7.2
112.08755	1.9
118.06667	0.9
120.08109	4.1
121.02868	58.0
121.03973	18.5
121.06502	1.5
130.05011	1.9
130.06499	1.9
130.09760	39.6
131.10149	1.8
133.05240	3.5
145.51396	1.0
148.03868	1.4
148.07556	21.0
148.10802	2.8
149.02330	100.0
149.07936	1.1
151.69165	0.7
167.03270	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69810	0.7
53.03941	3.0
55.01863	2.9
55.05515	4.7
55.66325	0.8
62.10223	1.0
65.03941	64.2
66.04249	1.7
67.05493	2.5
69.03443	1.4
69.07061	4.2
69.30463	6.7
77.03916	1.0
78.04708	1.0
79.05497	12.9
81.03406	0.9
81.07064	5.7
91.05477	19.6
92.05785	1.5
93.03398	12.7
93.07045	34.8
94.07407	1.1
95.04958	1.9
95.08599	1.7
98.03644	2.2
99.04130	0.9
103.05463	3.0
105.04500	1.4
105.07020	15.8
106.04095	0.9
107.08601	28.2
111.04440	6.9
115.05476	1.2
116.06214	2.4
119.08584	3.7
121.02864	63.6
121.03976	24.1
121.06470	4.6
121.10135	27.5
122.03223	2.7
122.10487	1.5
123.08059	1.4
129.07036	1.2
131.08565	4.4
134.07257	1.0
134.96857	0.9
149.02342	100.0
149.05954	3.3
149.09624	11.6
149.13206	6.6
150.02657	6.4
167.03429	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0598
Annotation	3-Isochromanone
Peak:m/z	Relative Intensity
51.02371	1.3
53.03943	15.4
55.01872	32.0
55.05513	4.7
60.33602	0.8
63.18296	0.8
65.03941	63.7
66.04273	2.7
67.05492	5.4
68.99767	1.1
69.03419	1.1
69.07069	7.2
69.92223	3.9
77.03926	3.8
78.04711	1.9
79.05048	1.5
79.05494	25.0
80.02631	1.2
81.03421	4.6
81.07056	17.9
89.03900	1.6
91.05478	51.7
92.05824	2.0
93.03403	12.4
93.07041	64.1
94.07368	3.7
95.04964	17.0
95.08593	3.3
98.03687	2.5
99.37235	0.8
101.37944	0.7
103.05466	37.7
104.05778	2.5
105.04509	7.4
105.07026	12.7
106.04198	1.1
107.04912	2.0
107.08585	24.6
108.08884	1.6
109.02915	1.0
109.06542	1.6
111.04444	9.1
115.05450	1.3
116.06245	1.8
119.08566	2.3
121.02858	59.4
121.03973	17.6
121.06503	28.8
121.10126	16.6
122.03202	3.8
122.04319	1.2
122.06828	1.9
122.10488	1.1
123.08047	1.5
131.04953	5.3
131.08582	2.7
133.07623	1.1
134.07259	1.1
149.02335	100.0
149.05978	11.4
149.07051	1.6
149.09619	25.2
149.10797	1.4
149.13258	13.6
150.02650	6.3
150.09918	1.7
150.13615	1.1
167.03395	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0596
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01580	0.5
51.02385	0.9
52.00644	0.3
53.03949	7.2
55.01872	18.7
65.03940	61.6
66.04264	2.2
66.61741	0.3
67.05500	0.8
68.99801	1.1
69.03425	0.5
69.07072	0.6
69.11274	3.7
71.07642	0.4
77.03936	1.8
78.04717	0.7
79.01873	0.5
79.05492	5.1
80.02625	0.7
81.03403	2.5
81.07069	1.7
89.03941	0.5
89.30919	0.3
91.05479	19.6
92.05808	1.0
93.03403	11.5
93.07044	11.6
94.07378	0.7
95.04967	7.1
98.03687	3.0
103.05466	17.9
104.05801	1.1
105.03417	0.6
105.04527	3.5
105.07019	1.3
107.04956	1.3
107.08597	2.8
109.02908	0.9
111.04442	9.0
112.04767	0.8
116.06200	0.6
121.02867	61.7
121.03973	21.9
121.06493	13.2
121.08371	0.4
121.10164	1.8
122.03196	3.4
122.04298	0.5
122.06849	0.6
131.04953	1.6
149.02336	100.0
149.05972	5.1
149.07880	1.3
149.09616	2.9
149.13307	0.6
150.02690	6.5
150.03767	0.6
150.06470	0.4
150.12755	0.5
153.20348	0.4
167.03404	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0961
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
53.03941	7.7
55.01870	6.7
55.05502	2.8
65.03941	53.8
66.04266	1.4
67.05490	3.2
69.03435	9.0
69.07066	2.8
71.32483	1.2
76.11113	1.0
78.04716	1.9
79.05037	1.9
79.05487	26.6
80.02637	1.4
81.07054	8.2
91.05480	46.2
92.05813	2.4
93.03397	12.0
93.07044	60.2
94.07366	2.3
95.04962	7.7
95.08612	1.5
98.03703	1.7
103.05465	7.8
104.06269	2.4
105.04546	2.6
105.07027	29.4
106.04175	4.8
107.04951	3.1
107.08604	16.5
108.53664	1.2
109.06513	2.6
111.04447	6.1
115.05479	2.5
116.06214	7.2
119.08575	5.1
121.02861	56.3
121.03967	15.1
121.06485	18.2
121.10152	26.6
122.03202	1.8
122.10432	1.9
123.08045	1.9
129.06990	2.7
131.08575	14.9
132.08841	1.5
133.07603	2.0
134.03682	1.4
134.07292	3.0
149.02339	100.0
149.06001	6.7
149.09615	33.8
149.13254	4.6
150.02657	5.2
150.09985	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0961
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
53.03942	9.3
53.04819	1.5
55.01862	8.5
55.05498	5.8
57.03430	2.8
60.04524	1.8
60.12545	1.2
61.36552	1.3
64.04086	1.4
64.52137	1.5
65.03938	58.4
66.04270	2.6
67.05504	4.2
69.03432	10.8
69.07063	4.6
69.71272	5.4
77.03906	1.6
78.04710	3.9
79.05489	32.9
81.07047	12.9
85.02922	1.4
87.04474	2.5
89.03950	2.2
91.05477	79.1
92.05839	4.7
93.03391	8.7
93.07042	59.9
94.07356	2.7
95.04972	10.7
95.08585	1.8
97.02882	1.9
98.03698	2.1
103.05457	17.1
105.04497	4.7
105.07026	43.8
105.07732	2.3
106.04174	8.5
106.07822	4.9
107.04958	5.8
107.08584	24.7
109.06533	6.9
111.04471	9.1
115.05444	8.4
116.06239	20.8
119.04942	9.2
119.06046	2.0
119.08588	7.1
121.02862	61.7
121.03971	20.9
121.06501	27.9
121.10133	33.7
122.03182	2.2
122.06850	1.3
122.10479	2.2
123.08042	3.0
129.07014	6.4
131.04916	5.6
131.08559	26.0
133.04962	1.9
133.06448	2.0
133.07594	2.1
134.03676	2.9
134.07269	5.7
147.08051	2.5
149.02335	100.0
149.05975	18.2
149.09613	64.9
149.10817	3.1
149.13257	5.9
150.02666	7.0
150.03688	1.4
150.09953	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	149.0962
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
51.02381	1.7
52.38625	1.1
53.03947	8.2
55.01871	7.7
55.05500	6.1
55.23842	1.3
56.38057	1.2
65.03942	67.5
66.04273	2.6
67.05495	3.7
69.03441	8.0
69.07068	7.1
70.18094	3.0
70.18478	2.2
78.04726	1.6
79.05492	35.0
81.03428	2.3
81.07053	14.3
91.05479	52.5
92.05794	2.6
93.03414	14.2
93.07048	70.7
93.96854	1.5
94.03715	1.3
94.07392	2.9
94.33116	1.1
95.04975	10.0
95.08611	2.8
98.03675	1.4
103.05469	12.6
105.04501	3.9
105.06340	2.5
105.07025	33.0
106.04184	1.9
106.07299	1.7
107.04945	4.8
107.08596	31.8
108.08927	1.4
109.06508	3.3
111.04458	7.9
115.05442	3.7
116.06282	7.7
119.08585	4.6
121.02865	58.5
121.03973	20.5
121.05624	2.5
121.06497	42.9
121.10139	32.5
122.03198	2.6
122.06821	2.3
122.10443	2.1
123.08058	2.7
129.07008	3.5
131.04922	2.9
131.08568	12.6
133.07648	2.4
134.07278	2.9
149.02339	100.0
149.06050	7.0
149.09619	52.4
149.13248	5.9
150.02670	5.1
150.09961	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0961
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
53.03930	5.4
55.01869	11.4
55.05506	4.1
65.03943	56.4
67.05491	3.6
68.99796	1.6
69.03432	2.6
70.73421	1.3
71.32069	1.9
77.03934	1.3
78.04688	1.9
79.05499	31.4
81.03426	1.6
81.07050	3.4
81.24832	1.3
89.03930	2.1
91.04938	2.5
91.05479	36.8
92.05804	2.2
93.03401	9.7
93.07049	32.8
95.04969	6.7
98.03670	2.8
103.05469	10.8
105.04534	3.5
105.07029	26.9
106.07353	1.5
107.04969	14.8
107.08589	27.6
107.09264	2.6
111.04415	7.7
116.06250	2.6
119.08598	2.8
121.02866	61.2
121.03984	18.1
121.06501	15.6
121.10149	11.6
122.03220	3.7
129.07025	2.6
131.04880	7.0
131.08549	11.4
134.07304	2.7
134.88968	1.6
149.02341	100.0
149.05983	8.5
149.09615	35.1
149.10802	1.8
149.13211	2.6
150.02667	5.3
150.10065	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0961
Annotation	4-Phenylbutan-2-one
Peak:m/z	Relative Intensity
50.04115	1.0
53.03948	5.5
55.01861	3.8
55.05501	3.0
55.32583	1.3
65.03932	4.2
67.05531	1.2
69.03434	5.5
76.17363	1.0
77.03915	2.0
79.05049	1.9
79.05490	28.2
80.53027	1.1
81.07022	2.0
83.88025	1.1
90.64256	1.1
91.05479	76.7
92.00357	1.1
92.05803	3.6
93.07042	39.4
94.07368	1.6
95.04962	5.2
98.23404	2.9
103.05465	10.8
105.04498	2.8
105.07027	55.1
105.92297	1.2
106.07889	5.6
107.04980	1.7
107.08569	3.0
109.06514	6.9
115.05457	12.9
116.06237	29.8
119.08594	9.9
120.05706	1.2
121.06501	22.4
121.10140	41.4
122.10449	2.1
123.08069	6.3
128.06216	2.8
129.06995	7.4
131.08574	28.4
132.08891	1.5
133.06628	2.0
133.07610	4.8
134.07263	4.7
147.08029	4.1
149.02335	3.5
149.09615	100.0
150.09935	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	149.0962
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
53.03946	5.9
54.15756	1.1
55.01866	3.8
55.05503	4.5
55.16729	1.0
60.93266	1.0
63.66867	0.9
65.03941	47.3
66.04263	1.5
67.05497	3.4
69.03415	2.6
69.07066	2.1
69.47324	2.8
69.47733	3.7
72.01633	1.0
74.25782	0.9
79.05492	28.7
81.07053	7.3
91.05479	39.7
92.05798	1.7
93.03400	10.1
93.07040	58.2
94.07365	2.7
95.04958	7.0
98.03658	2.0
103.05467	11.6
105.04517	2.9
105.07024	36.8
106.04156	1.4
106.07883	7.1
107.04943	1.8
107.08603	12.7
107.70576	1.2
109.06554	1.9
111.04436	6.0
115.05412	1.8
116.06252	4.1
119.06075	1.2
119.08571	6.1
121.02862	46.2
121.03978	16.5
121.06509	11.7
121.10140	30.6
122.03189	3.3
122.10446	1.5
123.08073	3.1
123.90614	1.0
124.98595	1.0
129.06931	1.0
131.08556	2.8
131.71762	1.0
133.06491	1.2
133.07600	2.2
134.07219	1.3
134.34766	1.1
149.02339	78.9
149.06056	2.0
149.09615	100.0
149.13292	4.0
150.02675	5.5
150.09953	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	149.1325
Annotation	Hormodirene
Peak:m/z	Relative Intensity
52.06007	1.5
53.03945	8.4
54.00843	1.4
55.01855	2.7
55.05505	10.7
59.82101	1.4
60.13110	1.6
62.22259	1.8
65.03939	61.6
66.04261	3.5
67.05505	24.4
68.05829	2.2
69.07066	18.9
69.73037	9.8
72.26482	1.4
79.05488	62.9
80.05802	2.9
81.07053	80.4
81.07538	4.4
82.07378	4.0
83.08599	6.1
91.05477	29.7
92.05815	1.8
93.03411	13.7
93.07039	73.5
94.07352	2.6
95.04957	5.5
95.08585	13.2
98.03685	2.4
105.04525	2.3
105.07031	9.0
107.04948	31.1
107.08586	64.2
108.08903	3.0
111.04445	9.9
119.08556	1.6
120.05717	4.7
121.02860	67.2
121.03973	24.6
121.06487	2.7
121.08418	1.8
121.10133	15.9
122.03195	5.3
149.02333	100.0
149.07932	2.8
149.09645	11.3
149.13252	34.1
150.02666	7.1
150.03745	3.2
150.13606	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Multifidene
Peak:m/z	Relative Intensity
53.03941	3.1
54.52487	1.2
55.01858	2.9
55.05502	5.3
57.07084	2.9
60.20974	1.4
65.03940	63.8
67.05518	1.4
68.99797	1.3
69.07060	4.7
69.43845	4.4
69.44246	3.3
70.17928	1.3
75.13885	1.1
77.03920	1.6
79.05496	16.2
80.02642	2.0
86.36265	1.4
91.05486	23.0
92.05786	2.2
93.03397	10.3
93.07042	19.9
94.07367	1.4
95.04960	3.7
98.03704	1.7
98.23277	2.9
103.05460	9.4
105.04528	2.4
105.07027	47.6
105.07730	2.5
106.07312	2.8
107.08592	35.5
108.08924	2.8
109.06498	3.7
111.04430	9.0
119.08566	9.9
120.09365	2.0
121.02863	65.1
121.03971	22.2
121.06480	9.5
121.10139	89.6
122.03219	3.8
122.10458	7.8
123.08076	5.5
131.04970	2.1
133.07614	4.0
133.10135	4.8
134.10925	2.7
149.02338	100.0
149.05942	3.4
149.09604	10.0
149.13261	10.6
150.02646	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	149.1326
Annotation	Multifidene
Peak:m/z	Relative Intensity
51.01647	1.2
53.03933	4.5
55.01857	3.0
55.05512	6.0
57.07068	1.3
64.44444	1.2
65.03944	61.9
66.04266	1.2
67.05498	3.4
68.17666	1.0
69.07075	6.1
70.94085	2.5
77.03934	1.1
79.05502	20.3
81.07060	7.9
83.08611	1.3
86.25813	1.3
91.05485	25.4
92.05803	1.2
93.03404	12.1
93.07050	46.9
95.04964	3.2
95.08622	2.1
103.05469	5.3
105.04516	2.9
105.07037	19.9
107.08599	36.8
108.08945	1.9
109.06508	2.0
111.04449	7.4
116.06239	2.5
119.06024	1.2
119.08612	5.8
120.09384	1.4
121.02869	61.3
121.03978	19.2
121.06472	6.7
121.10148	34.1
122.03188	3.7
122.10464	1.4
123.08096	1.8
131.04987	1.3
131.08569	4.4
133.07611	2.8
147.08131	1.3
149.02350	100.0
149.05984	5.3
149.09625	18.0
149.13248	10.3
150.02670	9.4
150.13667	1.4
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	Piperonal
Peak:m/z	Relative Intensity
50.80017	0.5
51.02375	1.4
52.03158	0.6
53.00317	0.4
53.03942	5.3
55.01865	7.3
57.03423	0.9
65.03936	18.3
66.04259	0.9
67.05501	16.9
69.76128	1.5
69.76535	1.1
71.01346	1.2
77.03934	3.1
79.01804	0.5
79.05493	1.3
80.02644	2.5
81.03398	1.4
81.07060	2.1
84.02103	1.1
85.02908	1.8
91.05476	10.7
93.03397	1.3
93.07034	1.6
94.04147	0.5
95.01301	0.8
95.04955	10.1
95.08597	1.1
105.03404	0.5
105.04519	1.7
105.07018	2.4
106.29728	0.4
107.04929	0.4
107.08586	1.3
108.02090	25.3
108.05711	0.5
109.02913	1.5
109.06521	1.2
109.10170	0.5
111.04427	3.3
112.01582	1.6
119.04939	4.3
121.03989	2.5
123.03515	0.5
123.04414	9.8
123.05247	0.9
123.08050	4.3
124.04790	0.5
133.06523	0.7
133.10080	0.5
136.01534	3.2
136.05183	1.4
141.05446	11.3
142.05768	0.6
151.03889	100.0
151.05028	46.0
151.07466	5.9
151.11142	2.2
152.04240	4.6
152.05397	2.3
158.51231	0.4
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	Piperonal
Peak:m/z	Relative Intensity
50.01615	0.6
51.02388	0.7
52.03163	1.1
53.03945	5.8
55.01876	8.2
57.03426	0.9
62.28257	0.5
65.03942	18.6
66.04276	1.1
67.05157	1.1
67.05504	17.8
68.05847	0.8
68.99794	1.3
69.30471	3.5
70.89243	0.5
71.01363	1.4
72.00542	0.5
73.35798	0.5
77.03930	3.0
78.20251	0.6
79.05497	1.2
80.02632	3.0
81.03432	1.2
81.07043	1.5
82.69194	0.5
84.02128	0.7
85.02919	1.2
86.54041	0.6
91.05480	4.0
93.03410	1.7
93.07050	1.1
95.01332	1.2
95.04969	10.1
95.08604	1.5
105.03391	1.0
105.04517	2.7
105.07066	0.8
108.02100	26.1
108.05728	0.7
109.02340	0.8
109.02985	1.0
109.10129	0.9
111.04446	3.8
112.01601	2.2
119.04964	1.4
121.03991	2.7
123.04429	3.7
123.08069	2.9
127.03930	0.6
130.57448	0.7
136.01564	3.6
141.05470	10.3
151.03911	100.0
151.05049	47.7
151.07430	2.7
151.11185	2.5
152.04251	5.5
152.05403	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	151.039
Annotation	Piperonal
Peak:m/z	Relative Intensity
50.72376	0.3
51.02375	0.8
52.03163	1.1
53.03949	5.4
55.01870	6.5
55.78444	0.4
57.03436	0.7
57.72125	0.4
65.03939	17.8
66.04277	0.7
67.05503	16.3
67.69774	0.4
68.05828	0.8
68.88553	0.4
68.99075	0.4
68.99780	1.1
69.03416	0.5
69.96008	0.4
71.01360	1.1
71.04951	0.4
77.03924	2.9
79.01900	0.7
79.05497	0.8
80.02631	1.7
81.03419	0.9
81.07056	1.4
83.01347	0.5
84.02137	0.8
85.02898	1.3
91.05487	1.4
93.03414	1.2
93.07056	0.8
95.01339	0.8
95.04967	9.2
95.05531	0.6
95.08617	2.3
98.03662	0.7
98.23347	0.8
105.04523	3.1
105.07037	1.6
106.07423	0.5
107.08590	1.0
108.02096	24.7
109.02944	0.8
109.06534	0.6
109.10181	0.5
111.04441	2.4
112.01585	1.8
118.98363	0.4
121.03980	2.5
123.04459	1.8
123.08068	4.9
127.03903	0.6
133.10147	0.5
134.06035	0.4
136.01544	3.0
141.05461	10.1
142.05920	0.6
151.03909	100.0
151.05045	44.9
151.07401	2.7
151.11200	1.6
151.12253	0.5
152.04257	5.4
152.05426	2.2
152.06775	0.4
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	Piperonal
Peak:m/z	Relative Intensity
50.12919	0.4
51.02386	1.0
51.39177	0.3
52.03159	1.0
53.00313	0.5
53.03946	4.8
55.01874	6.4
55.63464	0.5
57.03435	1.0
65.03943	18.1
66.04270	0.7
67.01881	0.5
67.05507	15.9
67.05867	0.9
68.05841	0.6
68.99787	0.5
70.57268	1.3
71.01363	1.5
72.38699	0.4
77.03931	2.4
79.05493	0.5
80.02648	2.9
81.03413	1.0
81.07054	1.3
84.02132	0.6
85.02906	1.8
91.05503	1.2
93.03413	1.1
93.07080	0.8
95.01358	0.7
95.04973	11.2
95.08624	1.3
96.05299	0.5
101.48218	0.4
105.04520	2.4
105.07059	1.2
107.08599	0.9
108.02099	25.5
109.02349	0.6
109.02972	0.9
109.06505	0.8
109.10130	0.7
111.04453	3.8
112.01601	2.1
121.04004	2.7
123.04419	2.1
123.08067	1.4
123.11700	0.5
127.03870	0.5
133.10071	0.5
134.06021	0.4
136.01563	3.8
141.05472	12.6
142.05838	0.6
151.03912	100.0
151.05049	46.9
151.11217	1.1
152.04259	5.5
152.05414	1.9
152.07092	0.6
154.02689	0.4
169.70770	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0753
Annotation	Methyl phenylacetate
Peak:m/z	Relative Intensity
51.02385	0.8
53.03936	2.2
55.01865	2.1
55.05510	0.8
59.06196	0.6
65.03934	10.9
66.04307	0.7
66.04704	0.6
67.05502	7.0
69.04029	3.3
69.04445	2.6
75.63643	0.7
77.03923	0.6
79.05502	3.8
80.06276	0.8
81.07052	2.8
82.74660	0.5
91.05474	100.0
92.05819	4.2
93.07031	1.9
93.90343	0.6
95.04962	11.1
95.08611	2.6
96.71571	0.7
103.05456	1.0
105.04559	0.7
105.07021	4.4
107.04964	1.0
107.08585	0.9
108.02084	6.2
108.05720	3.6
108.67905	0.8
109.06483	1.4
109.10151	1.7
111.04430	0.9
113.35883	0.5
119.04935	47.6
120.05261	2.4
121.02861	0.7
121.04008	1.2
123.04440	5.1
123.08054	9.3
127.63213	0.6
133.06541	1.0
134.24181	0.6
136.05180	10.7
137.05960	4.2
141.05482	2.8
144.78186	0.6
146.53867	0.7
151.03017	1.1
151.03888	27.4
151.05026	11.3
151.07526	36.7
151.11171	2.2
152.04294	1.2
152.07892	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0754
Annotation	3-Methylphenylacetic acid
Peak:m/z	Relative Intensity
50.11163	0.2
51.02370	0.3
53.03940	1.1
54.10745	0.3
54.45332	0.2
54.68019	0.2
55.01876	2.5
55.05504	0.8
57.03431	0.3
65.03930	1.4
67.05504	5.0
68.99770	0.3
69.03425	0.7
70.42542	0.5
70.42849	0.2
71.04984	0.6
77.03928	0.6
79.05495	11.5
80.05816	0.4
80.06248	0.3
81.03423	0.4
81.07060	7.0
82.07387	0.4
83.20336	0.2
91.04944	0.5
91.05482	6.4
92.05811	0.3
93.07045	3.5
95.04976	3.5
95.08606	2.7
103.05466	5.7
104.05766	0.3
105.07029	100.0
105.74180	0.2
106.07361	4.6
107.04961	1.2
107.08588	4.0
108.02113	0.8
108.05735	0.9
109.06525	2.5
109.10159	2.4
115.05448	2.4
119.04951	0.5
121.80190	0.2
123.04437	2.6
123.08067	5.3
123.11710	1.7
131.04907	0.9
131.08536	0.4
133.06490	81.7
133.10110	3.9
134.06830	4.6
136.05173	0.8
136.08803	0.3
141.05486	0.3
143.06021	0.3
151.02692	0.4
151.03891	5.3
151.05016	1.6
151.07542	16.3
151.11171	7.4
152.04242	0.3
152.07898	0.9
152.11488	0.3
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	Tolylacetate
Peak:m/z	Relative Intensity
51.02390	1.3
52.03162	1.6
53.03955	10.9
55.01874	11.4
55.05494	3.7
57.03421	1.4
57.07076	2.5
62.22258	1.1
65.03941	25.5
67.05161	2.3
67.05505	34.7
68.99798	1.6
69.03419	3.0
69.07063	2.2
69.20926	10.0
73.98061	1.3
77.03931	2.1
77.06634	1.2
79.05491	19.8
80.02626	5.0
80.06267	1.5
81.03419	2.9
81.07056	42.9
83.04971	2.2
91.05480	69.5
92.05785	2.8
93.03391	3.7
93.07045	24.7
95.04968	33.8
95.08601	17.9
98.23351	2.3
102.95049	1.2
103.05447	3.8
105.04504	4.8
105.07034	21.8
107.04962	5.5
107.08600	12.6
108.02088	22.3
108.05747	16.8
109.06524	16.1
109.10171	11.0
111.04408	4.5
118.04195	1.7
119.04946	23.8
121.02847	3.1
121.03952	1.3
121.06507	3.2
123.04429	72.8
123.08061	34.2
123.11711	10.7
124.04776	3.4
124.08418	1.7
127.07558	1.6
133.06526	7.0
133.10123	12.1
134.06830	1.4
135.04407	1.6
136.01619	2.2
136.05219	7.6
141.05463	8.7
150.06316	1.3
151.03896	81.3
151.05037	37.4
151.07541	100.0
151.11176	33.7
151.12402	1.3
151.14816	1.6
152.04318	3.4
152.07904	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	151.1117
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
50.41145	0.9
53.03935	3.8
55.01873	4.7
55.05492	2.5
57.03410	0.8
57.07056	1.3
59.05000	1.2
64.44888	1.0
65.03939	11.2
67.05499	16.6
68.99793	1.4
69.03414	2.2
69.07072	1.1
71.01334	1.1
71.09499	1.9
77.03941	1.1
79.05492	5.1
80.02643	1.3
81.03432	1.4
81.06622	1.3
81.07056	17.6
84.63342	0.7
85.02903	1.2
91.05483	13.3
93.07041	6.1
95.01328	1.0
95.04971	11.9
95.08590	5.4
97.06525	1.5
105.04514	1.1
105.07034	11.6
107.04953	1.5
107.08618	5.6
108.02090	13.0
108.05723	1.9
109.06522	14.3
109.10166	9.0
111.04444	1.4
119.04929	2.9
119.06048	1.0
121.03975	2.1
121.10120	3.0
123.04411	6.2
123.08075	8.7
123.11705	4.0
133.06558	1.0
133.10120	3.4
134.06065	1.1
136.01559	1.2
136.05222	2.4
136.08813	2.8
141.05467	7.0
151.03021	2.1
151.03891	55.9
151.05038	25.9
151.07552	9.1
151.11177	100.0
152.04265	4.5
152.05307	1.8
152.11514	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	151.1117
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
51.90639	0.6
53.03948	1.0
53.64799	0.6
55.05503	2.4
57.03429	0.8
57.07052	0.6
59.04985	1.2
61.76983	0.6
63.23603	0.6
65.03917	1.3
67.05502	8.3
69.02705	4.1
69.03119	2.5
69.03416	1.2
69.07057	2.7
79.05481	5.8
81.03426	0.6
81.07048	13.4
82.07369	0.7
91.05478	7.4
92.05785	0.6
93.07031	5.0
95.04971	4.6
95.08596	3.4
97.06520	1.1
103.05397	0.7
105.07024	10.9
107.08598	6.4
108.02095	1.1
108.05712	1.2
109.06519	14.3
109.10156	9.6
110.10475	0.6
121.06519	1.3
121.10135	2.4
123.04436	1.5
123.08053	5.6
123.11717	4.3
131.08537	0.8
133.10114	4.7
136.08807	2.9
151.03882	3.9
151.05049	1.7
151.07599	1.9
151.11169	100.0
152.11502	5.6
155.42867	0.6
165.14702	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1482
Annotation	(E)-4,8-Dimethyl-1,3,7-nonatriene
Peak:m/z	Relative Intensity
53.03946	4.0
55.01878	6.1
55.05509	7.6
57.03431	1.9
57.07078	18.8
65.03947	11.8
67.05508	60.8
69.03419	1.7
69.07069	10.8
71.08622	5.5
74.26170	1.0
74.71315	1.3
77.03906	1.8
79.05490	6.4
80.02656	1.3
81.07060	41.4
83.08620	2.2
91.05492	11.2
93.07041	9.0
95.04971	8.3
95.08608	100.0
96.08933	4.5
105.04533	2.2
105.07017	7.4
107.08600	6.8
108.02093	16.7
108.05726	2.4
109.06519	10.0
109.10157	85.1
110.10476	3.3
111.04408	1.7
112.01550	1.5
119.04945	4.1
121.06527	1.6
123.04433	3.0
123.08073	10.0
123.11704	8.9
133.10117	4.1
135.08070	2.9
136.01556	2.6
136.08827	13.5
141.05490	5.8
151.03894	56.4
151.05042	27.9
151.07585	6.4
151.11179	85.0
151.14796	16.6
152.04236	3.3
152.05351	1.7
152.11493	5.5
152.15215	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	2.3
51.02382	6.5
52.02720	0.3
53.00299	0.3
54.47421	0.2
55.01863	1.6
55.05497	0.4
56.71571	0.3
65.03934	0.8
67.05515	0.6
68.99816	0.4
69.03430	2.8
70.06464	0.7
70.06860	0.4
71.95254	0.6
79.01853	61.6
79.05479	0.7
80.02185	1.5
81.07044	0.9
81.35563	0.3
83.04974	0.7
87.00834	1.3
91.05487	0.5
93.03400	0.6
93.07043	0.6
93.99150	0.2
95.01357	0.7
95.05007	0.3
97.02892	10.3
97.06516	0.4
98.03202	0.3
98.22705	0.3
98.81969	0.3
102.12330	0.3
107.01316	14.4
107.08585	0.8
108.01638	0.8
109.10140	0.4
110.03663	0.8
111.04448	1.6
123.00780	2.3
123.44715	0.3
125.02348	18.9
125.05973	0.8
126.02697	0.8
138.03149	0.5
138.06885	0.3
141.01860	0.3
143.03395	42.4
144.03789	1.4
153.01826	100.0
153.02969	31.2
153.09103	0.6
153.12741	0.5
154.02173	4.8
154.03316	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	2.7
51.02380	6.9
52.43371	0.6
53.00304	1.2
53.03939	1.3
55.01866	2.5
55.05503	0.8
65.03928	5.7
67.05498	2.2
68.96329	1.8
68.99786	1.1
69.03429	3.3
69.07067	1.2
69.26250	1.9
69.26668	3.4
70.94256	1.7
70.95862	3.3
71.95255	4.8
78.25511	0.6
79.01852	58.9
79.05497	3.3
80.02177	1.8
81.07044	1.1
82.04195	1.2
83.04948	1.4
85.02882	1.3
87.00813	1.3
88.96887	0.8
91.05469	2.0
93.03392	1.3
93.07038	2.3
95.01369	1.1
95.04984	1.8
97.02896	10.4
97.06564	1.2
107.01318	14.8
107.04979	1.2
107.08590	2.2
109.06489	0.7
109.10173	0.8
110.03654	6.5
111.04462	3.5
111.08084	1.8
121.06496	3.0
123.00784	1.7
125.02345	18.0
125.05946	4.6
125.09615	0.8
130.96333	2.6
135.04407	4.3
138.03096	4.0
139.03963	1.2
143.03391	37.3
144.03777	1.8
148.97377	4.8
153.01822	100.0
153.02968	28.1
153.05444	12.2
153.06615	1.9
153.09084	4.8
154.02156	4.9
154.03227	0.7
154.04973	1.9
154.12218	0.9
165.00012	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0546
Annotation	4-Hydroxymethylsalicylaldehyde
Peak:m/z	Relative Intensity
50.01383	0.2
50.01599	0.4
51.02378	1.6
53.03945	5.1
53.48456	0.2
55.01870	1.0
65.03943	1.2
67.05500	0.6
68.96333	0.4
69.03436	0.4
69.07063	0.7
69.21855	2.3
70.94246	0.6
70.95872	0.7
74.70937	0.2
75.04485	1.5
77.03915	1.4
79.01851	10.2
79.05493	4.3
80.02182	0.5
81.03403	0.6
81.07069	0.6
85.38925	0.2
91.05476	1.5
92.02628	1.7
93.07017	0.8
95.04967	6.2
97.02919	1.6
98.23353	0.5
105.03384	1.0
105.04507	2.6
107.01319	2.7
107.04957	1.4
107.08575	0.9
109.06493	0.3
110.03645	1.1
111.04437	0.5
120.02066	0.6
121.06515	2.6
122.07277	0.4
123.04381	0.3
123.08062	0.4
125.02365	3.5
125.06009	0.7
125.09623	0.3
130.96289	0.5
135.04408	100.0
136.04749	6.0
138.03096	1.2
138.06761	0.7
143.02353	0.5
143.03400	7.2
148.97298	0.5
150.39722	0.3
153.01817	18.1
153.02968	5.4
153.05443	2.5
153.09117	1.8
154.02142	1.2
154.04939	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	1.6
51.02382	7.0
53.53694	0.7
54.04719	1.0
55.01872	1.3
55.05516	0.7
58.20015	0.7
65.03937	6.4
67.05491	4.8
68.99786	4.3
69.03429	2.5
69.18946	5.8
79.01849	47.2
79.05491	2.2
80.02176	2.0
81.03414	1.8
81.07052	1.1
82.04196	7.6
83.04979	2.0
93.03395	4.3
93.07021	0.9
95.01323	41.0
95.04969	2.4
96.01629	1.8
97.02887	7.6
97.06539	1.2
98.23286	1.6
107.01310	14.5
107.04956	0.8
107.08593	2.2
110.03652	83.3
111.04482	14.4
121.03972	1.2
123.00780	3.4
125.02353	12.2
125.05980	100.0
126.06340	4.1
138.03085	2.6
139.03896	30.8
143.03384	28.7
143.04536	1.0
144.03754	0.7
148.97311	1.1
153.01807	66.9
153.02956	19.2
153.05447	30.7
153.06465	0.8
153.09013	0.8
154.02138	3.2
154.03253	1.0
154.06204	6.8
167.36812	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0545
Annotation	5-Hydroxy-2-methoxy benzaldehyde
Peak:m/z	Relative Intensity
50.01588	1.4
50.33271	0.5
51.02378	5.6
52.87098	0.5
55.01859	1.1
55.05513	0.7
55.84047	0.5
65.03938	6.4
67.05495	4.0
68.96321	1.2
68.99777	4.3
69.03429	2.0
69.17860	5.0
70.94249	0.8
79.01848	37.2
79.05496	1.2
80.02198	0.7
81.03413	0.9
82.04187	7.1
83.04970	1.9
87.00811	0.6
93.03386	3.4
95.01322	47.3
95.04984	2.9
96.01649	1.6
97.02885	5.6
98.61368	0.5
107.00582	0.7
107.01308	11.5
107.08612	1.1
110.03651	89.0
111.04487	15.2
121.03940	1.3
123.00777	2.6
123.04447	0.9
125.02348	8.1
125.05979	100.0
126.06322	3.6
130.96342	0.6
131.53416	0.6
138.03082	1.9
139.03894	28.7
143.03377	18.5
144.03719	0.9
148.97255	0.7
150.84258	0.6
153.01805	42.5
153.02960	14.1
153.05450	29.8
154.02176	1.8
154.03325	0.7
154.06236	7.5
173.77011	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0546
Annotation	4-Methyl-2,6-dihydroxy-benzaldehyde
Peak:m/z	Relative Intensity
50.01597	0.3
51.02379	1.4
53.00298	0.7
53.03952	1.7
54.04715	0.3
55.01865	0.8
55.05517	1.4
59.34215	0.3
63.02375	0.5
64.03162	0.6
65.03940	2.1
67.01847	0.6
67.05508	1.5
68.96330	0.6
68.99790	0.4
69.03419	0.8
69.07059	1.1
70.04270	0.3
70.94260	0.5
70.95876	0.4
71.95257	0.5
72.08165	0.3
77.03919	0.5
79.01848	8.4
79.05490	5.1
80.02190	0.3
81.03413	1.1
81.07053	0.5
82.04195	2.8
83.04973	0.7
84.08154	0.3
85.02905	3.6
88.03428	0.3
91.05477	0.7
92.02628	1.1
93.03404	1.1
93.06985	0.8
95.01340	0.6
95.04967	2.8
95.08606	0.3
97.02896	1.1
97.06525	2.6
105.04507	0.8
107.01308	2.4
107.04952	1.8
107.08573	0.7
109.02884	0.3
110.03654	43.4
111.03896	1.6
112.07599	0.5
120.02101	0.3
121.02860	0.7
123.00745	0.5
123.04414	1.5
125.02358	2.5
125.05973	5.6
126.06281	0.3
130.96356	0.4
135.04407	3.5
138.03111	43.1
139.03410	1.6
143.03386	5.7
143.04416	0.5
148.97357	1.0
151.03896	0.5
153.01822	13.4
153.02945	4.4
153.05457	100.0
154.02162	0.5
154.05824	4.7
154.12245	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0545
Annotation	3-Methoxytropolone
Peak:m/z	Relative Intensity
50.01580	1.0
51.02381	3.4
52.89361	0.4
53.00299	0.9
53.03937	1.8
55.01864	1.9
55.05490	0.8
55.48612	0.5
65.03934	3.8
67.05499	2.6
68.96323	1.7
68.99782	2.1
69.03417	2.2
69.07071	3.0
69.13764	2.6
69.14188	2.1
70.06605	0.5
70.94247	1.5
70.95872	1.1
71.95248	2.1
79.01852	25.6
79.05499	5.1
80.02161	1.1
81.03396	1.1
81.07038	0.6
82.04208	3.9
83.04965	1.3
85.02890	3.0
86.27902	0.6
88.95293	0.7
91.05489	0.7
92.02612	1.0
93.03407	0.8
93.07038	0.9
94.05369	0.5
95.01340	4.1
95.04957	4.1
95.06026	0.5
97.02885	4.3
97.06522	2.6
98.22573	0.7
105.04507	0.6
107.01315	5.9
107.04953	2.0
107.08613	1.4
110.03654	44.7
111.04430	2.3
111.08092	0.9
120.02111	0.6
121.02858	0.6
123.00792	1.0
123.04405	2.1
125.02351	8.2
125.05990	15.6
130.96326	1.3
135.04422	6.7
138.03116	37.0
139.03996	2.9
143.03392	15.7
148.97343	3.1
151.03824	0.5
153.01820	48.2
153.02962	14.2
153.05460	100.0
153.08907	2.5
153.12679	0.8
154.02174	2.5
154.03320	0.6
154.05898	4.1
154.12323	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0547
Annotation	5-Hydroxy-2-methoxy benzaldehyde
Peak:m/z	Relative Intensity
50.01615	0.5
51.02376	1.4
53.00299	1.1
53.03942	1.4
54.14476	0.4
55.01863	1.4
55.05506	0.8
56.96557	0.5
65.03950	2.9
67.05518	0.9
68.96333	1.9
68.99780	0.6
69.03440	1.0
69.07069	1.2
69.66744	1.9
70.94261	0.8
70.95856	0.4
71.01345	0.5
79.01854	12.1
79.05494	4.2
80.02193	0.6
81.03399	0.9
81.07042	1.3
82.04197	1.9
82.06570	1.0
82.75955	0.3
83.04983	1.2
85.02907	0.5
91.05472	1.8
92.02612	0.9
93.03384	1.5
93.07030	2.4
93.32114	0.4
95.04971	2.3
95.08584	0.7
97.02884	2.6
97.06565	2.0
97.07090	0.5
98.22663	0.7
98.97557	0.6
105.04461	0.6
107.01316	3.3
107.04961	2.7
107.08599	1.6
109.06509	0.7
109.10178	0.8
109.66166	0.4
110.03656	39.4
111.04548	2.8
111.08071	0.9
120.02080	0.5
121.02876	0.7
123.00802	0.5
123.04439	2.0
125.02344	4.0
125.06010	3.1
126.86436	0.4
128.00003	0.4
130.96309	2.3
135.04446	0.7
135.08061	0.9
136.07567	0.6
138.03117	39.2
139.03482	1.5
143.03395	7.6
148.97392	2.0
152.96635	0.3
153.01823	19.3
153.02954	5.7
153.05463	100.0
154.02179	1.0
154.05869	4.3
154.12315	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0546
Annotation	3,4-Dihydroxyphenylacetaldehyde
Peak:m/z	Relative Intensity
50.01598	3.1
51.02384	8.1
53.03942	6.5
55.01865	6.8
55.05509	2.3
56.24037	1.4
65.03942	14.1
67.05501	22.7
68.96320	5.0
68.99792	15.8
69.03421	3.4
69.07050	1.7
69.46612	7.9
69.47022	3.8
70.06558	1.5
70.94245	5.9
70.95854	5.8
71.95259	9.6
73.57327	1.6
79.01855	54.8
79.05488	6.5
80.02180	3.0
80.05833	1.9
80.74746	1.7
81.03401	3.2
81.07051	3.1
82.04215	2.1
83.04982	3.5
84.04517	4.2
86.97368	2.0
88.96892	2.6
91.05457	2.8
93.03400	9.2
93.07041	3.9
95.01325	3.1
95.04961	26.5
96.02035	1.7
97.02879	10.9
97.06520	5.5
98.23330	3.9
105.04564	1.8
107.01320	14.0
107.04948	3.6
107.06123	1.8
107.08574	4.5
109.02905	2.0
109.98880	1.7
110.03662	15.6
111.04446	16.0
111.08082	2.3
117.32401	1.7
123.04428	14.9
124.05210	2.2
125.02354	18.9
125.05990	12.7
126.05504	1.7
130.96310	7.4
135.04413	64.2
135.05450	4.0
136.04793	3.3
138.03110	14.5
139.03906	28.2
141.05460	16.5
143.03394	40.4
148.97340	9.6
151.04982	2.1
153.01823	100.0
153.02969	28.1
153.05463	79.3
153.06566	4.3
153.09113	6.4
153.12756	2.0
154.02145	5.0
154.04941	4.6
154.06229	17.7
171.98819	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0541
Annotation	4-Hydroxyphenyl acetate
Peak:m/z	Relative Intensity
50.01588	1.9
51.02378	5.4
53.00312	0.7
53.03949	0.7
55.01876	1.9
55.05504	1.6
57.03429	0.8
59.04970	0.6
65.03937	66.4
66.04262	1.7
67.05504	2.1
68.96310	0.7
68.99772	0.6
69.03423	3.3
69.05280	0.4
69.06741	0.4
69.07063	2.5
69.70726	1.9
70.95860	0.7
71.01360	0.6
71.04994	1.2
71.95251	1.2
79.01849	58.4
79.05482	3.6
80.02183	2.1
81.03417	1.2
81.07047	2.5
82.04206	0.7
83.04966	2.0
85.02888	1.4
87.00834	1.0
90.16324	0.5
91.05467	2.0
93.03399	46.2
93.07039	3.2
94.03736	1.5
95.01346	1.0
95.04964	1.8
95.08595	1.9
96.02090	0.9
97.02889	10.9
97.06543	2.9
98.23313	0.7
105.07005	0.8
107.01311	13.8
107.04968	1.2
107.08592	3.9
109.02887	1.4
109.06519	0.5
109.10149	1.5
110.03658	14.4
111.04435	86.1
111.08083	1.7
112.04749	2.7
121.06482	1.0
123.00787	2.1
123.04388	0.6
125.01421	0.9
125.02348	18.9
125.05984	37.1
126.06327	1.9
130.96268	0.6
134.05971	0.7
135.08070	1.0
135.11699	1.1
138.03123	4.9
139.03902	11.5
143.03389	37.0
144.03723	1.8
148.97324	0.9
153.01804	100.0
153.02953	28.8
153.05447	22.5
153.09044	2.3
153.12704	1.4
154.02147	3.6
154.03287	0.6
154.06233	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	153.0546
Annotation	4-Methyl-2,6-dihydroxy-benzaldehyde
Peak:m/z	Relative Intensity
50.01596	1.0
51.02381	3.1
53.00311	1.4
53.03954	1.4
55.01863	1.3
55.05512	2.1
63.02373	0.3
64.03160	0.7
65.03943	2.8
67.05493	2.0
68.96345	0.6
68.99789	0.6
69.03429	1.9
69.07071	4.4
69.77354	0.3
70.94263	0.4
71.01353	0.3
71.04984	0.7
77.03913	0.4
79.01856	22.1
79.05495	5.4
80.02181	0.9
81.03410	1.2
81.07066	1.8
82.04198	2.2
83.04980	1.8
83.08646	0.4
85.02879	0.4
91.05497	1.3
92.02608	1.0
93.03391	1.3
93.07051	3.1
95.01347	0.5
95.04974	2.1
95.08611	1.2
97.02896	4.0
97.06532	2.2
105.03468	0.3
105.04504	0.9
105.07054	0.4
107.01316	6.5
107.04951	2.6
107.08594	3.1
108.08128	0.9
109.06512	0.7
109.10169	1.8
109.98923	0.4
110.03658	44.5
111.04463	1.2
111.08096	1.4
117.07008	0.5
120.02089	0.4
121.02879	0.6
121.06451	0.3
123.00833	0.5
123.04426	1.7
125.02354	6.8
125.03220	0.6
125.05966	1.5
125.09644	0.3
126.05650	0.3
130.96326	0.6
135.04439	3.4
135.08041	1.3
135.11688	0.9
136.07579	1.2
138.03119	42.6
139.03491	1.4
143.03395	13.9
144.03712	0.5
148.97333	0.7
151.03876	0.7
152.04227	0.4
152.06203	0.9
153.01833	34.3
153.02969	10.0
153.05463	100.0
153.12761	1.1
154.02151	1.7
154.05832	4.4
154.08545	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
50.01586	1.2
51.02383	4.0
53.03949	4.1
55.01861	2.9
55.05511	9.6
57.03425	3.4
57.07056	1.1
59.04999	3.8
65.03932	3.8
67.05502	16.8
69.03434	5.3
69.07064	15.5
69.07403	0.9
69.07760	5.4
69.08181	3.0
71.04990	4.5
72.75806	0.7
73.06555	1.0
75.04489	1.3
77.03904	1.1
79.01853	39.5
79.05492	15.9
81.03393	1.1
81.06628	1.5
81.07058	20.0
82.04191	2.7
83.04977	7.7
83.08621	4.1
84.53756	0.8
85.02904	2.1
85.06523	1.0
90.41098	0.7
91.05480	12.0
92.02645	1.1
93.03412	1.2
93.07043	61.4
93.23801	1.0
94.07359	1.6
95.04966	19.4
95.08607	46.1
96.08929	2.0
97.02885	6.7
97.06527	26.9
98.22504	1.6
105.04480	0.9
105.07016	3.2
107.01318	11.3
107.04938	1.3
107.08591	84.7
108.08900	4.4
109.06516	12.6
109.10152	26.8
110.03653	39.7
110.10445	1.1
111.04542	0.9
111.08059	4.7
117.06892	0.8
119.06057	1.6
119.08595	0.9
121.06496	3.4
123.00775	1.0
123.04434	2.0
125.02333	11.6
125.05993	3.8
128.09155	0.7
135.04437	1.1
135.08084	1.7
135.11688	31.1
136.12013	1.6
138.03116	41.7
138.06764	1.5
139.03429	2.7
143.03391	24.9
144.03723	1.8
153.01820	66.9
153.02962	20.0
153.05460	100.0
153.09027	6.2
153.12726	22.9
154.02171	3.6
154.05833	5.9
154.13071	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1272
Annotation	p-Mentha-1,8-dien-4-ol
Peak:m/z	Relative Intensity
50.68497	0.8
51.59801	0.8
52.75006	0.9
53.03933	2.2
55.05511	12.5
57.03424	5.3
57.07064	1.9
59.04998	1.6
63.09297	0.9
65.03931	2.5
67.05502	36.9
68.05815	1.1
69.03419	2.8
69.07065	56.8
70.07378	2.0
70.87627	1.4
70.95884	0.9
71.04980	3.0
71.95252	8.0
73.06558	0.9
79.05489	28.1
80.05831	1.4
81.07055	39.0
82.07365	2.0
83.04972	5.4
83.08609	7.0
85.06532	1.8
87.55841	0.8
88.96893	1.3
91.05470	5.0
93.07044	47.2
94.07360	2.2
95.04951	1.3
95.08601	20.3
97.05887	1.2
97.06524	22.1
105.07033	1.7
107.06082	0.9
107.08589	51.6
108.08904	2.7
109.10156	38.0
110.03683	2.0
110.10501	1.4
111.08085	8.7
111.11641	1.4
122.02380	1.3
131.13551	0.9
133.10051	0.9
135.11687	100.0
136.12010	5.5
138.05048	1.0
148.97395	1.5
153.05453	3.5
153.07538	1.8
153.09123	2.0
153.12740	80.9
154.04979	3.7
154.06140	1.0
154.13139	5.9
154.15860	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	(+)-cis-p-Mentha-1(7),8-dien-2-ol
Peak:m/z	Relative Intensity
50.01602	1.8
51.02383	5.7
53.03935	2.7
55.01868	2.8
55.05513	11.2
57.03425	2.4
57.07067	1.2
59.05006	3.5
61.75990	0.7
65.03944	11.9
67.05504	13.0
68.96333	2.1
68.99775	0.8
69.02287	1.0
69.02685	6.1
69.03434	5.8
69.06712	1.4
69.07070	22.3
70.94249	1.2
71.05000	3.8
79.01854	56.3
79.05495	13.3
79.84958	0.6
80.02173	2.5
80.02622	0.6
80.05829	0.7
80.11258	0.6
81.03419	0.7
81.06617	1.3
81.07056	13.2
83.04987	5.5
83.08623	2.5
83.62479	0.8
84.08142	0.9
85.02896	0.7
85.06523	1.0
87.00846	0.9
91.05482	7.2
93.03406	8.4
93.07045	18.9
94.07343	0.7
95.04963	3.5
95.08609	13.9
97.02896	10.8
97.06534	11.5
97.10198	0.8
105.07032	1.5
107.01314	16.3
107.04958	19.9
107.08596	28.7
108.01654	1.2
109.06503	2.5
109.10153	26.6
110.03661	7.0
110.10458	1.2
111.04441	13.6
111.08080	6.7
117.07033	0.9
119.08604	0.8
121.06495	1.2
123.00822	2.0
125.02350	17.4
125.05986	9.7
125.09610	1.9
126.02663	1.1
130.96307	1.5
135.04439	7.0
135.08047	2.5
135.11684	12.5
136.07578	1.9
136.12048	1.2
138.03096	4.7
138.04031	0.7
138.07858	0.6
143.03398	39.6
144.03752	1.7
148.97386	1.7
153.01830	100.0
153.02979	28.8
153.05438	13.0
153.09103	4.9
153.12737	19.9
154.02165	4.9
154.03217	1.6
154.08597	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
50.01596	2.3
51.02382	7.6
53.00300	2.8
53.03943	4.7
55.01878	4.4
55.05513	17.7
57.03435	3.4
57.07080	3.5
59.04998	7.3
64.70989	1.2
65.03936	4.4
66.82334	1.3
67.05499	10.1
69.03428	4.0
69.07066	12.1
69.44596	2.7
69.45019	4.7
70.47785	1.0
71.04993	27.7
71.05361	2.2
73.06555	17.9
79.01853	66.0
79.05492	30.0
80.02190	2.2
81.03407	1.4
81.07055	81.6
82.07405	2.9
83.04981	4.9
83.08630	1.8
85.06525	1.5
91.05476	11.0
93.03402	1.9
93.07040	38.6
94.07392	1.4
94.87460	1.3
95.01335	1.7
95.04967	25.8
95.05534	1.8
95.08592	8.0
97.02898	12.1
97.06539	8.1
98.23295	2.3
105.07032	4.0
107.01314	16.6
107.04974	3.7
107.08595	38.3
107.31066	1.3
108.08885	1.7
109.06548	3.6
109.10159	7.2
110.03677	3.2
111.04459	3.6
111.08083	10.9
116.03416	1.1
121.06499	1.9
123.00797	2.4
125.02341	19.6
125.05985	3.4
125.09634	2.6
135.08072	3.8
135.11678	18.8
138.03165	1.4
143.03395	35.4
148.97336	1.4
153.01839	100.0
153.02986	31.2
153.05397	7.2
153.09129	3.9
153.12740	9.4
154.02139	5.0
154.08627	1.3
154.48058	1.3
164.46265	1.1
165.69829	1.3
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
50.01596	2.3
50.51683	1.4
51.02367	4.8
51.90211	1.4
53.03933	4.1
55.01857	4.4
55.05508	11.0
55.35193	1.4
57.03425	3.3
57.07067	3.1
59.04995	8.4
65.03934	5.2
67.05504	30.2
68.33438	1.4
69.03425	6.6
69.07069	20.7
71.04996	12.7
71.15824	1.4
71.31992	1.5
72.81499	1.4
72.84980	1.4
79.01853	52.6
79.05495	22.8
80.02185	2.6
81.07057	21.0
83.04974	6.1
83.08613	5.8
91.05476	17.4
91.06319	1.5
93.03414	3.0
93.07040	52.7
94.07383	1.8
95.04958	4.7
95.08611	31.2
97.02875	6.6
97.06541	19.9
105.04536	1.8
105.07027	7.2
107.01322	15.5
107.04955	17.2
107.08595	100.0
108.08921	5.9
109.06470	4.0
109.10159	97.6
110.03654	5.4
110.10477	4.1
111.04482	2.9
111.08080	15.5
111.11736	2.4
121.02866	47.1
122.03231	1.9
123.00748	3.1
125.02341	16.9
125.05991	3.4
125.09589	1.7
135.04439	8.7
135.08029	6.2
135.11685	35.5
135.12645	2.6
138.03091	6.4
138.06665	1.8
143.03401	36.0
153.01820	88.5
153.02968	22.0
153.05449	18.7
153.09087	5.4
153.12740	63.3
154.02165	4.4
154.13049	2.2
174.91202	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
51.02373	2.5
53.00320	0.7
53.03931	2.6
55.01868	2.0
55.05510	8.3
57.03434	3.8
57.07073	1.9
59.05006	3.5
59.69056	0.6
65.03931	1.5
67.05504	15.7
69.03421	3.2
69.06710	1.2
69.07066	14.7
70.07431	0.7
70.93510	1.5
71.04982	3.8
73.06572	0.9
73.13850	0.7
75.04513	0.8
79.01854	19.9
79.05048	1.0
79.05492	14.9
79.15011	0.7
79.95911	0.7
81.07057	18.3
82.07410	0.8
83.04984	8.9
83.08613	3.9
85.06551	1.2
87.85462	0.7
91.05473	11.9
93.07042	72.7
94.07386	2.4
95.04963	2.8
95.08604	63.6
96.08942	3.9
97.02880	3.6
97.06528	21.2
105.04491	1.1
105.07038	3.9
106.04191	0.8
107.01311	7.1
107.08592	100.0
108.08909	4.5
109.06505	1.5
109.10156	22.3
109.15583	0.7
110.03678	7.6
111.08064	3.1
119.06133	0.8
121.06506	3.0
121.29756	0.7
125.02351	7.0
125.05993	1.1
135.11693	44.7
136.12029	2.7
138.03108	8.6
138.06773	0.9
143.02271	1.0
143.03386	14.1
153.01826	36.7
153.02977	12.9
153.05458	20.7
153.09126	2.0
153.12741	23.1
154.02177	1.9
154.05843	0.9
154.13129	1.3
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
51.02404	1.0
53.00295	2.2
53.03946	4.4
55.05511	13.0
55.67875	0.9
57.07071	1.1
59.04999	6.6
60.15113	1.0
65.03939	2.0
67.02817	1.0
67.05507	5.9
69.07073	11.2
70.46960	3.2
71.04994	32.1
73.06552	21.7
77.12356	1.0
79.01858	4.6
79.05492	28.9
79.05954	1.7
79.74076	1.0
81.07058	100.0
82.07404	3.4
83.08636	2.9
84.41965	1.0
91.05492	8.7
93.07045	39.9
94.07388	2.5
95.04952	1.4
95.08612	6.8
97.02886	1.4
97.06548	8.2
100.28616	1.0
105.07014	3.1
107.01322	1.1
107.08597	37.6
108.08927	1.2
109.10156	6.3
110.03672	3.7
111.08067	5.6
119.08604	2.3
135.11690	20.8
138.03163	3.2
140.37312	1.3
143.03415	2.8
153.01851	5.7
153.02937	2.4
153.05447	6.7
153.12749	9.2
158.54314	1.1
169.39919	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0624
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46758	1.7
55.01848	1.8
55.05499	6.5
65.03590	2.7
65.03936	37.9
67.05500	5.4
68.96321	4.2
69.03422	1.7
69.96149	3.4
70.94246	3.5
71.01322	2.1
71.32587	2.5
71.94092	2.7
71.95264	27.8
72.93781	11.4
75.72886	1.7
77.72089	1.7
81.03405	5.6
83.04977	8.2
90.94816	5.9
93.03403	31.6
94.06554	2.0
95.04989	2.7
96.02095	4.3
98.98485	8.5
99.04424	2.1
108.08125	1.8
109.02859	7.6
111.04442	37.9
112.04725	2.0
113.05976	5.9
113.96363	5.5
124.05187	4.1
125.05925	2.0
126.05523	3.3
130.96332	4.1
131.58824	1.8
131.96216	3.1
131.97401	5.7
136.41408	1.6
139.03894	100.0
140.04326	2.7
148.97359	13.8
149.97180	8.7
154.04974	9.9
154.06223	74.3
154.08546	3.5
154.09724	4.9
154.12167	2.7
155.07071	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	154.0624
Annotation	N-Dimethyl-2-aminoethylphosphonate
Peak:m/z	Relative Intensity
53.03945	0.7
55.01868	1.2
55.05507	1.3
65.03941	40.8
66.04268	0.7
67.05490	0.7
67.97364	0.3
68.02664	0.8
68.99773	0.7
70.94300	0.3
71.01354	1.2
71.95264	1.2
79.01858	0.5
81.03416	3.9
83.04988	2.3
93.03403	34.1
94.03728	1.0
95.04983	0.5
96.02107	5.8
98.22512	0.5
102.55707	0.3
107.01295	1.9
109.02879	6.9
111.04441	33.4
112.04760	1.1
121.02975	0.3
121.03996	1.2
124.05203	5.3
125.05971	0.8
126.81942	0.3
127.03915	1.9
131.96181	0.5
135.04329	0.3
139.03899	100.0
140.04224	3.7
149.97194	0.5
153.89677	0.3
154.06244	63.2
155.06573	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	154.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59659	0.2
53.03938	1.0
55.01867	0.5
55.05511	5.6
56.05024	0.8
57.07074	1.8
58.06589	0.4
64.20925	0.3
65.03930	0.6
67.05506	2.1
68.96266	0.3
69.03410	0.9
69.07059	1.7
69.46162	1.8
69.46549	0.7
70.06573	0.9
71.04988	1.3
72.93795	0.5
79.05481	3.0
80.02181	0.5
81.03392	0.3
81.07054	11.1
82.06562	1.4
82.07381	0.5
83.04951	0.5
83.07359	0.8
83.08587	1.5
84.04497	0.4
84.08148	0.3
85.06541	0.6
91.05480	0.9
93.05775	0.9
95.04987	2.1
95.08604	2.0
96.04484	0.9
96.08160	0.4
97.05270	3.8
98.06065	3.9
98.09669	2.3
99.08048	0.4
108.08106	3.0
108.08858	0.6
109.06515	6.1
109.10158	0.9
110.06043	4.8
110.06817	0.4
111.04453	0.8
111.06831	5.5
123.04414	0.9
124.07546	0.5
125.08366	1.1
126.09146	3.2
126.09978	0.5
136.08372	0.3
137.13283	0.7
138.05502	0.7
139.03867	0.7
139.06274	5.2
140.06516	0.5
152.07040	0.4
154.02176	1.0
154.08618	100.0
155.06963	0.8
155.08981	5.3
155.14290	0.7
166.27106	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.9775
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93835	3.2
55.01869	0.6
55.05508	3.1
55.93520	0.7
56.05850	0.4
56.96571	4.4
57.04554	0.6
58.99869	0.4
63.29729	0.3
67.05505	2.3
68.05007	0.4
69.03426	1.1
69.76077	0.8
69.76473	0.5
69.96178	32.8
70.06588	0.4
70.95868	12.6
71.04982	0.7
71.06106	1.0
71.94105	12.0
72.93791	9.5
73.02914	0.4
79.05491	0.8
80.05050	0.3
81.03402	1.0
81.07057	1.1
81.87058	0.3
82.99841	0.3
83.04983	1.5
83.06099	1.4
85.02910	0.6
85.06557	1.7
86.06075	0.8
87.97228	1.7
88.96908	2.8
89.00836	0.5
89.95147	1.1
90.94832	2.3
90.95958	0.4
91.05510	0.5
93.04516	1.0
95.04966	1.0
95.06068	1.6
96.04495	0.4
97.02885	1.4
98.97587	3.7
98.98209	0.5
98.98437	0.4
99.04450	1.2
100.02480	1.0
101.00880	6.3
103.02446	0.4
108.95859	0.4
109.02866	0.7
109.06520	0.8
110.07166	13.3
110.98782	1.3
111.04464	2.5
111.09195	0.4
111.98479	4.0
112.01590	1.0
112.77612	0.3
113.00888	2.2
113.05984	1.5
113.95116	3.4
113.96417	1.1
114.04019	0.5
114.05586	0.4
116.98610	1.0
118.03531	0.8
118.92085	0.5
119.01922	20.3
121.01685	0.4
123.04392	0.4
124.08694	1.6
127.03922	2.8
127.07541	0.7
128.98636	0.4
129.99541	1.8
131.00964	0.7
131.01907	11.7
131.96149	75.1
132.02003	1.7
132.05067	4.2
132.95818	13.5
133.01662	0.7
133.03456	3.0
136.93105	1.1
137.03012	5.3
137.05956	0.6
137.09705	0.5
138.02698	0.9
138.05458	0.5
140.04652	0.5
142.03500	5.6
145.03442	0.5
147.03751	0.4
149.02989	2.1
149.06546	0.4
149.97202	100.0
150.06076	2.6
150.96863	21.3
151.04533	1.1
154.90746	1.0
154.94173	1.6
154.97740	3.3
155.01981	1.8
155.03441	1.2
155.04515	0.4
155.07030	2.8
155.11794	0.7
155.12900	0.8
155.97427	1.6
156.03337	0.4
156.05061	1.7
156.06552	1.7
156.07675	1.0
156.10185	0.9
158.99631	0.8
160.04565	2.0
165.11226	0.3
167.98267	8.1
168.97914	0.4
172.95326	2.5
172.98830	3.7
173.02971	1.7
173.98538	1.7
174.06139	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	155.0702
Annotation	2,6-Dimethoxyphenol
Peak:m/z	Relative Intensity
50.01593	0.6
51.02374	0.6
53.03947	2.0
55.01871	1.2
55.05505	1.8
55.93521	3.1
65.03933	3.9
67.05499	3.9
69.03415	2.4
69.07078	0.6
69.79382	0.8
69.79792	1.6
69.96169	1.8
70.95860	49.2
72.93786	40.6
73.94586	0.8
80.02632	1.7
81.03416	1.8
81.07055	1.0
83.04984	5.0
85.02872	0.5
88.96893	10.1
89.02386	0.5
90.94303	0.9
90.94827	9.1
90.95408	0.7
93.03459	0.7
93.66452	0.5
94.04178	1.2
95.04963	57.1
95.08584	0.5
96.05284	1.5
96.33075	0.5
97.02871	2.7
97.06544	1.5
98.03656	0.5
98.22620	0.6
98.98463	1.7
99.02758	0.4
99.04463	2.6
105.04528	0.7
106.79761	0.6
106.97962	0.8
108.02097	2.0
108.95869	1.0
109.02871	7.8
109.06506	1.4
109.10143	0.4
110.03702	1.1
110.07143	3.1
111.04427	6.2
111.98466	16.6
112.05218	1.9
113.06028	2.8
113.96402	6.9
114.94808	1.3
123.04421	100.0
124.05236	36.4
125.02346	8.9
125.05475	1.1
127.03896	3.2
127.07536	1.8
129.99513	6.8
131.96179	2.7
131.97392	3.2
132.95827	54.7
137.06000	0.6
140.04672	24.6
141.05481	2.3
149.97205	4.0
150.96877	80.7
155.03416	1.7
155.07018	40.1
155.97418	3.7
156.07410	2.0
168.97945	2.7
173.98479	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	155.1067
Annotation	(2E)-2,6-Dimethyl-2,5-heptadienoic acid
Peak:m/z	Relative Intensity
50.27427	0.6
53.03949	2.5
55.01878	1.0
55.05512	11.8
55.70156	0.6
57.03434	1.7
57.07084	3.5
59.04997	1.6
60.67340	0.8
65.03929	1.5
65.55357	0.7
66.32942	0.8
67.05505	59.5
68.05833	1.9
69.07075	11.0
69.45805	4.5
70.95869	8.6
71.04986	5.9
72.93794	8.5
79.05482	4.1
79.42344	0.7
81.03402	1.0
81.07056	47.9
83.04979	7.0
83.08633	0.9
85.02901	2.9
85.06544	33.4
86.06863	1.4
88.96881	0.9
90.94819	2.6
91.05472	1.6
93.07032	1.6
95.04953	8.4
95.08607	32.6
96.08936	1.5
97.06507	1.2
97.10181	1.7
98.23300	1.0
98.98473	1.8
99.04453	8.7
99.08080	5.4
100.56248	0.8
105.04539	0.8
107.08588	2.9
109.06510	1.6
109.10155	100.0
110.10496	4.7
111.04433	3.2
111.98480	2.2
113.05984	3.0
113.96404	2.2
119.08576	1.4
122.07281	1.1
123.04426	3.2
125.26991	0.7
127.07543	2.2
127.11097	0.9
129.99525	1.2
131.96156	1.6
131.97493	0.9
132.95831	9.9
137.08588	1.2
137.09619	17.6
137.13248	4.9
138.09959	1.2
140.04668	1.8
141.06946	0.8
149.97214	2.1
150.96877	13.9
155.02275	2.3
155.03455	0.8
155.05960	0.9
155.07104	5.3
155.08536	2.1
155.10669	30.3
155.14273	6.7
156.10965	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0421
Annotation	Unknow
Peak:m/z	Relative Intensity
69.46684	6.1
69.47094	4.0
70.06599	7.9
70.54465	1.5
74.09715	24.0
82.05319	1.5
83.06095	5.6
93.04528	4.3
95.06091	2.7
96.96918	5.3
97.73307	1.9
98.22541	1.7
110.07162	48.8
112.05289	8.0
114.84798	1.6
130.06314	25.6
132.02016	1.9
133.01698	2.1
156.04213	100.0
156.07655	3.8
157.04617	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	156.0505
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44489	0.4
55.01875	2.8
56.05029	0.4
56.96577	0.7
57.03450	0.5
58.99866	0.3
64.79877	0.4
67.05509	0.6
69.11879	3.0
70.06591	4.5
70.95872	1.5
70.99873	0.6
72.93784	1.5
73.02911	0.5
74.09720	4.0
82.01441	0.5
82.05308	0.8
82.99833	3.4
83.04952	0.4
83.06112	3.6
85.03634	0.4
87.86077	0.4
93.04527	2.8
95.06078	2.0
96.96871	0.6
99.92889	0.4
100.02464	1.7
101.00879	38.5
102.00961	3.3
103.02454	1.0
110.07165	29.7
110.09678	0.5
110.97552	0.5
111.05566	0.8
111.07516	0.7
111.98497	0.7
112.05260	1.6
112.08698	0.5
113.00916	0.4
114.00941	1.1
115.00597	0.7
115.02410	1.2
118.03517	0.9
119.01919	100.0
120.01996	7.7
121.01633	0.7
121.02386	0.5
124.02451	4.0
130.06316	4.9
131.01926	1.1
132.02032	3.7
132.05035	1.0
132.95798	2.9
132.96646	0.3
133.01660	3.6
133.03476	6.8
134.03531	0.5
136.41541	0.4
137.02956	25.5
138.03032	1.7
142.03500	41.2
143.03603	3.3
145.03487	0.4
150.03137	0.5
150.06052	0.5
150.96838	2.2
151.02705	0.7
151.04506	1.3
156.04198	18.5
156.07639	2.1
156.10141	0.8
156.13780	0.6
157.01445	0.6
157.03430	0.7
160.04547	10.7
161.04710	0.8
165.05077	1.0
174.06018	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	1.3
64.05544	0.8
64.89236	0.8
68.05027	1.6
70.06593	100.0
70.42280	0.9
71.04978	3.6
71.06915	3.1
71.29999	1.6
85.07673	2.9
85.72186	0.9
95.06093	2.6
97.07639	1.5
98.06046	1.7
98.97594	5.8
99.04453	2.0
101.00906	1.2
112.08729	84.0
113.07138	4.3
113.09138	1.9
115.08698	3.1
116.07082	18.2
116.98627	2.8
119.01929	2.9
130.03482	1.6
133.22318	0.9
138.36708	1.0
141.06546	6.1
158.04054	1.3
158.09253	97.4
159.07645	1.9
159.09627	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	158.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91972	0.7
53.03943	0.8
55.01861	1.2
56.96563	7.9
58.06590	1.4
68.05032	0.8
69.03427	1.4
70.06587	99.8
71.04993	3.9
71.06921	4.0
71.95259	1.8
72.08160	0.8
73.02933	0.8
73.31853	0.5
80.25023	0.5
81.03416	0.7
84.08144	1.1
84.99605	1.2
85.02870	1.1
85.07680	2.8
87.04465	1.7
89.59026	0.6
93.01884	0.7
95.06088	3.1
97.01423	0.6
97.02894	1.0
97.07607	0.9
98.06052	2.1
98.97579	42.7
99.01937	1.1
99.04460	1.8
100.70953	0.6
101.00877	2.3
102.02364	0.6
102.09203	0.6
103.00627	7.6
103.01263	0.8
109.02859	0.7
112.08726	75.3
113.07124	5.3
113.09071	2.2
114.05542	1.1
115.08685	3.3
116.06303	0.3
116.07085	19.9
116.97231	1.6
116.98622	23.9
117.07389	0.7
119.01907	4.5
120.02007	1.5
120.31026	0.6
121.01671	22.8
126.02179	0.7
130.03481	1.1
131.01918	0.7
132.06108	1.3
133.03429	0.7
134.99651	10.0
135.03217	1.1
139.02690	5.4
141.06580	6.6
143.01938	1.1
144.03220	8.5
149.06554	1.0
158.01202	0.7
158.04050	2.4
158.09244	100.0
158.11774	4.8
158.15353	2.8
159.07620	2.3
159.09576	2.5
161.02946	1.2
162.04346	1.8
176.98845	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.2
56.02221	2.6
56.96564	3.2
57.03413	0.8
57.07071	2.6
57.93560	1.9
58.06595	3.7
60.05646	0.8
61.02930	0.6
67.05518	0.8
68.05036	2.1
68.41351	0.5
69.03415	0.7
70.06590	98.1
70.76480	0.5
70.76826	1.0
71.01340	2.4
71.04995	4.8
71.06920	3.8
71.95257	0.9
72.08160	0.7
74.71044	0.5
75.04469	0.6
75.94634	0.6
81.03414	0.8
84.04486	0.6
84.08150	1.9
85.02922	1.0
85.06533	0.8
85.07664	3.0
86.06075	1.2
87.04465	0.9
95.06080	3.6
96.04488	0.7
97.07630	0.7
98.06050	3.6
98.27234	0.5
98.97585	12.6
99.00832	0.7
99.01945	1.1
99.04458	2.5
100.02457	0.9
101.00883	1.6
102.09171	4.5
103.00638	2.1
103.03931	0.5
110.07162	1.3
112.08722	81.8
113.02335	0.8
113.07121	4.9
113.09044	2.6
114.04851	0.5
114.05495	2.5
115.08703	2.5
116.07084	20.8
116.97240	6.2
116.98602	13.9
118.03527	1.2
119.01907	6.0
121.01662	15.0
121.02494	0.8
122.06083	0.5
127.00266	0.7
128.03400	0.5
130.03474	0.7
130.08604	0.6
131.01880	0.7
131.04950	0.6
134.02957	0.7
134.99663	10.3
135.03189	1.6
137.02943	2.1
138.03090	0.5
139.02678	5.9
141.01814	1.7
141.06570	4.7
144.03201	5.4
148.96228	0.9
152.96924	2.2
153.00723	1.4
153.04301	0.7
158.09244	100.0
158.11630	6.9
158.15387	9.3
159.04968	1.0
159.06267	0.5
159.07646	2.0
159.09691	2.6
162.04305	2.1
177.06044	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0805
Annotation	1-Methoxynaphthalene
Peak:m/z	Relative Intensity
53.03940	1.4
55.01875	0.8
55.05512	1.6
56.96562	4.0
57.03433	0.7
59.93107	0.8
65.03930	0.6
67.05508	4.0
69.03436	0.6
69.07069	1.0
69.31644	3.5
70.06589	0.7
71.05005	1.8
71.95251	0.6
79.05501	2.4
79.22520	0.5
81.07054	20.5
82.07395	1.2
83.04984	0.8
85.02919	1.5
91.05480	63.7
92.05812	2.8
95.08604	11.1
97.06512	2.8
98.97583	16.4
99.08090	2.1
99.97911	1.5
103.05467	3.4
105.07039	2.8
115.05444	11.2
116.06243	26.7
116.98621	9.6
117.06451	0.8
117.07114	1.4
117.98971	0.8
118.96746	3.1
119.01936	0.5
119.08640	0.9
122.81375	0.5
123.08067	6.9
128.06212	2.2
129.07005	19.9
130.07762	1.0
131.04913	3.9
131.08565	100.0
132.08914	4.7
133.06506	0.6
134.99658	5.9
136.00046	0.6
141.01799	0.6
141.06993	6.6
141.09062	2.9
144.05695	12.4
144.09334	2.6
154.96501	0.9
157.06499	0.9
159.08051	50.9
159.11650	7.0
159.15721	1.0
160.08394	2.4
160.09573	0.6
169.07581	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0805
Annotation	1-Methoxynaphthalene
Peak:m/z	Relative Intensity
53.03942	1.3
55.01857	1.6
55.05496	1.2
56.96567	4.5
57.07077	0.9
59.93109	1.0
64.74047	0.6
65.03941	0.7
67.05507	3.9
69.07069	1.0
69.40015	1.3
69.40415	3.4
70.06580	0.7
71.04984	1.8
71.95261	1.1
72.09804	0.5
76.93304	0.6
77.94132	0.7
79.05509	3.2
81.07056	26.6
82.07366	1.0
85.02902	2.6
85.06541	1.5
91.05481	64.9
92.05794	3.1
95.08607	13.4
96.87988	0.6
97.06531	2.8
98.23318	0.7
98.97581	19.7
99.08095	2.1
99.97931	1.4
103.04869	0.6
103.05470	4.1
105.06422	0.6
105.07006	3.3
115.05451	12.2
116.06248	25.7
116.98620	10.9
117.07071	3.1
117.98984	0.9
118.96777	4.1
119.01917	1.0
119.08557	0.7
123.08073	9.3
128.06223	3.0
129.07010	20.2
130.07828	1.1
131.04958	3.9
131.08565	100.0
132.08856	4.2
134.99663	4.9
135.22076	0.6
141.06998	6.7
141.07977	1.0
141.09084	3.8
142.03394	0.8
144.05696	13.4
144.09332	2.0
157.06429	1.0
159.08057	50.0
159.11661	7.2
159.15605	0.7
160.05252	0.7
160.08571	2.8
160.09535	0.6
169.07578	3.2
172.25507	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0917
Annotation	1,5-Naphthalenediamine
Peak:m/z	Relative Intensity
54.73911	0.5
56.96563	13.6
56.96825	0.9
57.03442	0.4
57.93563	1.0
59.93110	5.0
61.79789	0.5
69.03427	0.8
69.97937	1.1
69.98318	1.0
70.06596	1.2
71.93043	0.5
71.95272	3.5
73.95684	0.9
76.23686	0.5
76.93362	0.6
77.94162	1.6
81.04533	0.7
88.74579	0.4
89.40749	0.5
91.05470	1.2
91.96725	0.6
93.05775	0.7
95.95162	0.7
98.22681	0.6
98.97578	41.4
99.97912	3.1
100.47831	0.5
100.95718	0.6
101.00899	0.8
103.05470	1.2
105.07025	1.7
114.05552	0.6
114.09170	1.1
115.05446	20.4
116.04984	1.0
116.05719	1.2
116.97260	1.6
116.98616	40.6
117.05752	18.1
117.95972	0.5
117.97578	1.1
117.98975	2.9
118.06598	3.3
118.96754	15.5
118.98097	0.6
119.01916	2.2
130.06519	28.2
131.04927	0.9
131.06003	0.6
131.06847	2.6
131.08560	1.2
132.08086	100.0
133.08415	4.4
133.99066	1.6
134.99646	28.2
135.97060	0.7
135.99980	2.5
136.95447	0.7
137.02921	1.0
140.00180	0.9
141.01802	0.9
142.03477	2.2
142.06512	27.9
143.07001	1.6
144.06783	0.6
150.95738	2.2
153.00703	4.5
153.96764	1.7
154.96471	6.0
158.01256	0.8
158.08371	2.3
159.09167	80.6
159.15770	1.3
160.04683	2.4
160.07565	21.5
160.09573	5.5
172.97548	1.2
177.98007	0.6
178.05598	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79274	0.4
53.03941	0.6
54.45700	0.5
67.05504	2.5
67.55696	0.5
70.88116	1.0
79.05496	1.2
81.07056	0.6
87.65249	0.5
91.05479	8.9
92.05792	0.6
103.05492	0.8
105.07024	25.9
106.07377	1.3
115.05454	4.4
116.06234	2.8
117.07016	34.2
118.07334	1.4
118.52853	0.5
118.96779	0.6
119.08577	10.0
120.08908	0.7
128.06262	1.4
129.07004	16.2
130.07817	8.7
131.04900	1.0
131.08568	37.3
132.08900	2.1
134.44582	0.4
141.06950	0.7
142.07782	2.2
143.08545	1.4
143.38402	0.6
144.05733	0.7
144.09344	29.1
145.09679	1.7
157.10110	5.2
159.04457	0.9
159.08153	2.9
159.11687	100.0
160.05252	0.7
160.12013	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	159.1169
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
67.05500	2.9
71.31549	0.6
79.05486	1.7
81.07040	0.7
89.41472	0.5
91.05479	9.1
92.05804	0.9
103.05454	0.9
105.07030	25.0
106.07371	1.4
115.05456	3.9
116.06222	1.8
117.07019	39.6
118.07366	1.9
119.08572	10.8
120.08900	1.0
128.06241	2.1
129.07004	18.4
130.07800	8.1
131.08565	38.3
132.08925	2.3
142.07806	2.5
143.08566	1.7
144.09340	31.0
145.09637	2.3
157.10120	4.5
158.10545	0.7
159.11693	100.0
160.12030	6.4
160.75609	0.5
164.51309	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.138
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81646	0.5
53.03938	1.8
55.05512	12.8
56.74616	0.5
56.96556	1.8
57.03426	1.4
57.07078	6.4
59.04988	1.0
59.93114	0.7
60.14533	0.5
65.03938	1.4
67.05505	46.6
68.05843	1.1
69.07063	4.9
71.04993	42.2
71.08627	1.3
71.32114	0.5
71.95245	0.6
72.05313	0.8
72.26707	0.4
73.06570	0.5
79.05495	10.1
81.07057	100.0
82.07382	3.3
83.08620	2.0
85.06540	13.6
86.06870	0.7
91.05489	3.0
93.07081	0.8
95.08606	13.9
96.08952	0.6
97.06537	0.7
97.10172	1.4
98.97588	6.7
99.04492	0.6
99.08099	2.9
99.53719	0.5
99.94193	0.5
99.97923	1.0
103.05453	1.5
105.07005	3.0
114.09167	0.7
115.05479	1.2
116.06226	0.6
116.98631	4.9
117.07034	2.8
118.96754	2.0
119.01906	0.6
119.08571	1.2
123.08144	0.6
123.11706	8.4
123.97195	0.4
129.06999	3.0
130.07758	0.8
131.04971	2.2
131.06879	1.5
131.08575	7.8
132.08047	0.7
134.99663	2.3
141.09184	1.1
141.12737	15.1
142.03429	0.5
144.05699	1.2
144.09351	3.3
154.96411	0.6
159.04462	1.2
159.08060	1.9
159.10274	0.8
159.11691	12.7
160.07617	1.1
160.09738	0.6
160.12074	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.6
56.96552	0.9
57.03428	0.5
58.99858	0.3
59.05001	1.6
59.93111	0.5
60.00611	0.3
60.04528	0.2
61.02910	0.4
69.03426	0.9
69.58303	1.0
70.06572	0.2
71.04980	0.3
73.02915	0.4
76.80632	0.2
77.94132	0.3
79.05485	0.3
79.82463	0.2
81.03419	0.6
81.07041	0.6
82.01471	0.3
82.06547	0.2
82.99834	3.2
85.01398	0.3
85.02894	0.7
86.06064	0.7
87.04465	0.4
88.96043	0.2
96.30573	0.2
97.02901	1.5
97.06526	0.3
98.53241	0.2
98.97580	1.3
99.97923	0.6
100.02481	3.6
100.97202	0.5
101.00877	33.7
101.06016	3.9
102.00925	1.2
103.02440	0.3
104.07101	0.2
105.06982	0.2
109.02927	0.2
113.86150	0.2
115.02421	0.2
116.10756	0.8
116.98628	0.7
117.98979	0.3
118.03519	7.4
118.08620	0.3
118.96752	1.7
119.01916	100.0
120.01980	2.0
124.02451	3.1
125.02611	0.3
131.01881	0.4
133.03448	0.6
134.99644	0.2
136.04544	4.0
137.02953	25.7
138.03064	0.4
139.04315	0.3
142.03494	32.9
143.01881	0.6
143.03616	2.5
145.01631	0.4
145.03406	0.5
145.07146	0.4
148.05725	0.3
148.88803	0.2
154.96457	0.6
160.04549	38.0
160.10732	1.0
161.02960	3.1
161.04688	3.1
163.02682	0.3
163.08131	0.7
165.05113	0.3
175.04568	0.6
175.08139	0.2
178.05608	10.0
179.04013	2.9
179.05710	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34822	0.1
53.84946	0.1
55.01853	0.3
55.05492	0.2
56.96552	0.6
57.03423	0.4
58.99824	0.2
60.95855	0.1
69.03419	0.4
69.07066	0.2
69.72861	0.7
70.99803	0.1
71.04982	0.2
79.05471	0.4
81.03404	0.2
81.07053	0.1
82.60738	0.2
82.99834	2.2
83.99901	0.2
84.08145	0.3
85.02897	0.3
86.32104	0.1
91.05442	0.2
97.02901	0.9
97.06528	0.3
98.97578	0.6
101.00877	27.3
101.05979	0.1
102.00945	3.3
102.02161	0.2
102.06335	0.4
102.96880	0.7
103.00629	1.1
103.01254	0.2
103.02454	0.1
105.07021	0.5
107.51113	0.1
111.00467	0.2
116.98624	0.4
117.03997	0.2
118.03475	0.3
119.01916	100.0
120.01997	11.5
120.96517	0.1
120.97894	0.5
121.01633	2.3
121.02349	0.2
124.02460	0.3
125.02564	0.3
126.02203	0.2
126.05473	0.2
133.03423	0.2
133.06503	0.2
133.10057	0.2
137.02953	30.9
138.03041	3.6
138.04236	0.3
138.98967	0.2
139.02660	0.5
142.03497	1.7
143.01874	0.4
143.03610	4.4
144.03220	1.7
144.04037	0.1
146.03651	0.2
146.07230	0.2
147.04993	0.2
156.97498	0.7
157.03453	0.2
160.04555	0.5
161.02960	4.1
161.04692	4.3
161.06010	0.1
161.09573	0.3
161.10803	0.2
162.03069	0.3
162.04286	2.1
162.05482	0.2
164.08304	0.1
174.98497	0.5
179.02406	0.3
179.04005	4.9
179.05714	1.5
179.99072	0.2
180.04135	0.5
180.05400	0.5
183.51753	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	161.0296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	0.2
55.22173	0.2
56.43444	0.2
56.69352	0.2
56.96566	1.8
57.03432	0.5
58.41446	0.2
59.04984	0.3
60.04521	0.7
60.95849	0.3
61.02924	0.3
65.42376	0.2
69.03425	1.3
69.58201	0.9
70.06586	0.5
71.04993	0.4
73.02917	0.5
79.05499	0.2
81.03401	0.5
82.99837	2.9
83.99895	0.3
84.08125	0.3
85.02879	1.1
85.06534	0.2
86.02417	0.2
87.04456	0.3
90.24435	0.2
97.02879	1.8
98.03121	0.2
98.12847	0.2
98.13483	0.2
98.97579	2.7
99.04471	0.3
100.02487	0.2
100.97197	0.4
101.00878	33.9
102.00942	3.9
102.96870	1.3
103.00627	1.3
103.01242	0.3
103.02461	0.2
112.19010	0.2
112.99129	0.3
113.00858	0.2
115.00689	0.4
115.02457	0.4
115.03971	0.2
116.98615	1.0
117.03963	0.3
118.03549	0.5
119.01916	100.0
119.98229	0.2
120.01997	10.0
120.03348	0.3
120.97904	0.5
121.01666	1.8
121.02320	0.3
124.02454	0.4
129.02246	0.2
129.03973	0.6
131.00180	0.2
131.01868	0.5
131.03600	0.2
132.02037	0.2
133.03474	0.8
134.99696	0.2
136.04578	0.2
137.02951	25.7
138.03084	2.7
139.02646	0.3
140.02274	0.2
142.03448	1.3
143.01947	1.2
143.03610	3.2
144.03214	1.6
145.03412	0.2
147.03276	0.8
147.05017	0.5
156.97482	0.2
157.03496	0.4
159.03299	0.6
159.04950	0.4
160.04564	0.3
161.02960	4.7
161.04698	4.0
161.10736	0.4
162.03091	0.5
162.04321	1.8
162.05302	0.2
170.05182	0.3
177.04369	0.7
177.06053	0.5
179.04012	4.1
179.05774	1.0
180.04054	0.4
180.05460	0.4
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	Unknow
Peak:m/z	Relative Intensity
53.03959	1.6
55.01881	1.6
55.05521	1.6
65.03934	0.4
66.04713	0.6
67.05496	0.6
69.07073	2.1
70.62099	0.8
70.62445	0.3
72.40682	0.2
72.46708	0.3
75.48579	0.3
77.03918	0.6
79.05051	0.5
79.05491	6.9
81.07039	1.2
83.08627	0.5
89.03899	0.9
90.04669	2.0
91.05482	6.0
91.06051	0.4
93.07030	0.8
95.04990	1.4
102.04679	0.4
103.05475	7.1
104.06281	0.7
105.07030	29.4
106.07346	1.1
107.04939	0.9
107.08636	0.5
115.05450	6.2
116.06238	0.4
117.07007	1.1
118.04163	21.0
119.04391	0.8
119.05080	0.4
119.08578	7.7
120.08893	0.4
121.06528	1.6
121.10129	0.5
121.97784	0.2
128.06213	1.5
129.06978	1.1
130.04100	0.3
130.07776	0.5
131.04933	9.0
131.08565	1.7
132.05637	0.9
133.05540	0.5
133.06494	6.8
133.09181	0.5
133.10127	6.8
134.06868	0.4
143.04932	0.4
143.06029	1.2
143.08545	1.2
145.06435	0.6
146.03625	8.7
146.07280	2.8
147.04213	0.5
161.05977	100.0
161.09602	17.9
161.13240	6.0
162.06337	5.0
162.09967	0.7
162.13538	0.4
163.32800	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0597
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02384	0.2
53.03942	2.9
55.01870	4.8
55.05510	0.8
61.39693	0.3
63.80704	0.3
65.03928	0.5
66.04709	1.7
67.05480	0.6
69.07047	0.9
69.88802	0.2
70.24969	1.0
77.03921	1.0
79.05489	19.1
80.05827	0.6
81.03423	0.4
81.07053	0.8
87.69530	0.3
89.03917	0.9
90.04694	4.7
91.04940	0.6
91.05475	7.3
92.02618	1.0
93.07042	0.9
94.04171	0.3
95.04977	3.3
102.04668	0.8
103.05463	23.8
104.05787	1.0
105.04584	1.8
105.07025	100.0
106.07364	4.0
107.04951	1.0
115.05453	27.6
116.05751	1.4
117.07007	1.1
118.04157	18.4
119.04492	0.8
119.08574	10.2
121.06536	0.5
128.06223	0.5
131.04913	4.5
131.08553	0.9
132.05701	1.0
133.06483	44.1
133.10107	5.5
133.11035	0.6
134.06807	2.4
143.04958	0.5
143.06021	5.2
143.08531	0.4
146.03613	1.1
146.07236	0.6
161.05974	9.5
161.08083	0.6
161.09595	3.5
161.13248	6.0
162.10075	0.3
165.64511	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0597
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02372	0.3
53.03931	1.5
55.01868	1.6
66.04723	0.6
69.03915	2.6
70.38635	0.3
77.03909	0.3
79.05494	6.1
80.05845	0.4
84.04474	0.3
89.03905	0.8
90.04701	1.7
91.05474	3.5
95.04945	1.6
99.61026	0.3
102.04695	0.3
103.05466	6.9
104.06277	0.3
105.04562	0.6
105.07027	24.2
106.07352	1.0
107.04971	0.6
115.05453	5.8
117.07034	0.5
118.04154	22.1
119.04407	0.6
119.08572	1.6
121.06507	0.6
128.06207	1.0
129.06998	0.8
130.04129	0.3
131.04916	9.2
131.08566	1.1
132.05762	0.6
133.06487	7.2
133.10149	1.8
134.06807	0.5
139.33195	0.3
143.04973	0.4
143.06058	1.1
143.08565	0.6
144.06519	0.4
145.06444	0.4
146.03622	9.8
146.07277	2.2
147.04346	0.7
161.05969	100.0
161.09583	11.8
161.13271	1.6
162.06346	6.1
162.10036	0.5
174.30341	0.3
180.04378	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0597
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02378	0.3
53.03948	1.5
55.01863	1.1
55.05489	0.2
63.02388	0.2
65.03938	0.5
66.04725	0.4
67.05492	0.3
69.07074	0.2
71.34162	0.3
74.35846	0.2
77.03912	0.4
78.90638	0.2
79.05488	6.2
80.05816	0.3
81.07047	0.6
81.36723	0.2
89.03912	0.9
90.04695	2.1
91.05478	4.1
93.07041	0.4
95.04968	1.4
97.02868	0.3
102.04679	0.4
102.96893	0.2
103.05466	7.3
104.06245	0.7
105.04571	0.5
105.07030	24.1
106.07363	0.9
107.04961	0.7
115.05444	5.1
117.06998	0.4
118.04159	23.0
119.04459	0.8
119.04937	0.2
119.08581	3.4
121.06509	0.9
128.06213	1.9
129.06964	0.7
131.04924	9.9
131.08565	0.9
132.05649	0.9
133.05505	0.4
133.06497	6.6
133.10132	2.6
143.06039	1.2
143.08580	1.5
145.06476	0.5
146.03618	9.5
146.07251	2.5
147.04288	1.0
159.08058	0.6
161.05971	100.0
161.09593	17.0
161.13243	2.1
162.06343	6.4
162.07510	0.2
162.07744	0.4
162.10042	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0597
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
53.03952	2.1
55.01630	0.4
55.01876	6.0
55.05509	0.3
59.23587	0.3
63.47017	0.3
65.03940	2.7
67.01871	2.1
69.16412	2.8
77.03931	0.6
79.05496	13.4
80.05819	0.3
81.03400	0.4
81.07051	0.6
91.05483	5.8
93.03415	3.3
93.07054	0.4
95.04968	2.5
102.55325	0.3
103.05474	9.4
105.04534	0.7
105.07034	38.4
106.07368	1.6
107.04983	0.5
115.05460	26.7
116.05780	0.8
117.07019	0.4
118.04171	1.3
119.08582	4.5
121.02850	1.0
128.06258	0.5
131.04922	0.9
131.08607	0.4
132.05701	0.7
133.06494	16.8
133.10129	2.1
134.06851	0.8
143.04976	2.8
143.05983	0.5
143.08562	0.5
146.03621	0.8
146.07268	0.5
161.05980	100.0
161.09569	3.0
161.13251	2.7
162.06352	4.5
182.39780	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0598
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
53.03959	1.6
55.01881	1.6
55.05521	1.6
65.03934	0.4
66.04713	0.6
67.05496	0.6
69.07073	2.1
70.62099	0.8
70.62445	0.3
72.40682	0.2
72.46708	0.3
75.48579	0.3
77.03918	0.6
79.05051	0.5
79.05491	6.9
81.07039	1.2
83.08627	0.5
89.03899	0.9
90.04669	2.0
91.05482	6.0
91.06051	0.4
93.07030	0.8
95.04990	1.4
102.04679	0.4
103.05475	7.1
104.06281	0.7
105.07030	29.4
106.07346	1.1
107.04939	0.9
107.08636	0.5
115.05450	6.2
116.06238	0.4
117.07007	1.1
118.04163	21.0
119.04391	0.8
119.05080	0.4
119.08578	7.7
120.08893	0.4
121.06528	1.6
121.10129	0.5
121.97784	0.2
128.06213	1.5
129.06978	1.1
130.04100	0.3
130.07776	0.5
131.04933	9.0
131.08565	1.7
132.05637	0.9
133.05540	0.5
133.06494	6.8
133.09181	0.5
133.10127	6.8
134.06868	0.4
143.04932	0.4
143.06029	1.2
143.08545	1.2
145.06435	0.6
146.03625	8.7
146.07280	2.8
147.04213	0.5
161.05977	100.0
161.09602	17.9
161.13240	6.0
162.06337	5.0
162.09967	0.7
162.13538	0.4
163.32800	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0598
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.40324	0.4
53.03947	2.1
54.20834	0.4
55.01873	5.3
55.05511	1.3
60.04525	0.8
65.03934	1.2
65.97395	0.4
66.04735	0.6
67.01862	1.1
67.05507	1.3
69.03424	1.7
69.03782	0.4
69.07069	2.3
69.70538	1.3
69.70940	0.9
70.82654	0.4
79.05492	17.2
79.51763	0.4
80.05867	0.5
81.03404	0.5
81.07062	3.0
84.04502	1.3
89.03924	0.6
90.04714	1.4
91.05482	10.3
92.02687	0.4
93.03413	1.8
93.07047	2.3
95.04963	2.5
103.05470	12.8
104.06275	0.5
104.67723	0.4
105.03396	1.0
105.04585	0.9
105.07030	69.9
106.07371	3.1
107.04961	1.2
107.08630	0.6
115.05457	28.5
116.05742	0.9
117.07026	2.2
118.04168	7.1
119.04922	1.5
119.08583	23.6
120.08902	0.9
121.02856	0.5
121.06523	1.1
121.10149	0.6
128.06219	2.2
129.06940	0.4
130.12698	0.4
131.04903	2.2
131.08540	1.4
132.05768	0.8
133.02884	0.5
133.06493	23.6
133.10133	13.3
133.11128	0.6
134.05942	0.6
134.06853	1.2
134.10442	0.5
138.72748	0.4
143.04904	1.4
143.06056	1.5
143.08569	2.8
144.06526	0.7
145.06477	0.8
146.03633	2.1
146.07288	3.1
159.11685	0.6
160.05183	0.4
161.05980	100.0
161.09612	21.9
161.13264	14.6
162.06409	5.5
162.07687	0.8
162.09929	1.4
162.13594	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.4
53.68257	0.2
55.01863	0.5
55.05497	0.4
57.23236	0.3
60.27022	0.2
67.05478	0.3
69.03425	2.1
69.22216	1.7
77.03927	0.3
79.05477	2.3
81.03365	0.2
90.04682	0.2
91.04921	0.4
91.05466	5.1
92.05815	0.3
93.07043	1.1
95.04951	0.6
98.22597	0.5
103.05453	2.4
105.07019	23.2
106.07332	1.1
107.04950	0.6
115.05431	2.6
116.06229	0.3
117.07026	1.8
118.04150	1.0
118.07758	0.3
119.04911	0.3
119.08572	3.3
121.06496	3.4
128.06210	19.1
129.06512	1.0
131.04906	2.6
131.08559	1.9
132.05740	1.0
133.06508	3.1
133.10112	9.6
134.10454	0.6
141.06975	0.7
143.08546	22.3
144.08888	1.8
145.06476	6.9
145.07430	0.2
146.07259	9.0
147.07584	0.8
155.06023	1.3
159.08041	8.7
160.08406	0.6
161.06030	2.6
161.09599	100.0
162.09943	6.9
172.59825	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.7
51.40524	0.6
52.69819	0.5
53.03931	2.3
55.01871	3.2
55.05498	0.9
56.05042	0.6
60.04523	0.7
60.62009	0.6
65.03930	0.9
66.04703	1.3
68.22974	0.5
69.03413	2.5
69.03753	0.6
70.16814	1.7
72.04505	1.0
77.03906	0.9
77.45763	0.5
79.05492	13.4
81.03423	0.9
81.07058	0.8
84.04496	0.8
85.02917	0.8
87.40037	0.8
90.04697	1.6
91.05475	9.8
92.05769	0.6
93.07040	1.8
95.04957	2.8
97.02881	1.6
98.06059	1.0
100.16006	0.6
102.04659	1.3
102.96811	0.8
103.05464	20.2
104.05753	0.7
105.07023	79.7
106.06649	0.9
106.07347	5.0
107.04951	1.7
115.05451	20.0
116.05795	0.7
116.07040	0.6
117.07003	2.7
118.04153	15.1
118.04959	1.0
118.06534	1.7
119.04952	1.3
119.08568	9.0
121.06483	3.6
123.72842	0.6
126.05482	0.7
128.06216	17.3
129.07001	0.6
130.04111	0.7
131.04930	7.8
131.08546	1.5
132.05705	1.8
133.06485	25.1
133.10115	12.5
134.05957	1.2
134.06857	1.1
134.10442	0.8
141.06952	1.0
143.06047	3.9
143.08548	19.9
144.06544	1.3
144.08865	1.4
145.06464	5.1
146.03619	14.6
146.04800	0.9
146.07257	9.8
146.08322	1.1
147.04327	1.0
154.55936	0.7
155.06082	1.2
159.08047	6.4
161.05977	37.5
161.09602	100.0
161.13176	5.0
162.05452	1.8
162.06517	2.0
162.07829	0.6
162.10016	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	161.096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
55.01861	0.6
55.05510	0.4
67.05488	0.5
69.03440	1.8
69.58907	0.6
69.59303	2.1
77.03912	0.4
79.05485	4.1
81.07022	0.4
91.05473	6.5
93.07037	1.2
95.04955	0.7
102.96833	0.4
103.05460	4.3
105.03359	0.4
105.07026	27.1
106.07358	1.3
107.04950	0.6
107.08651	0.4
115.05442	5.2
117.07001	2.0
118.04147	2.4
119.08570	5.0
120.97856	0.4
121.06493	3.2
128.06213	20.2
129.06552	1.0
131.04932	3.0
131.08560	2.0
132.05669	1.3
133.06496	5.7
133.10115	8.9
134.06876	0.4
134.10472	0.7
141.06989	0.5
142.07751	0.4
143.08551	22.1
144.08873	1.6
145.06488	5.2
146.03629	1.3
146.07268	8.2
147.04398	0.5
147.07654	0.4
154.37988	0.4
155.05998	1.5
159.08038	7.4
161.05994	9.0
161.09602	100.0
161.13135	2.1
162.05429	0.5
162.09961	7.5
162.11302	0.5
162.22557	0.5
174.28790	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.7
51.40524	0.6
52.69819	0.5
53.03931	2.3
55.01871	3.2
55.05498	0.9
56.05042	0.6
60.04523	0.7
60.62009	0.6
65.03930	0.9
66.04703	1.3
68.22974	0.5
69.03413	2.5
69.03753	0.6
70.16814	1.7
72.04505	1.0
77.03906	0.9
77.45763	0.5
79.05492	13.4
81.03423	0.9
81.07058	0.8
84.04496	0.8
85.02917	0.8
87.40037	0.8
90.04697	1.6
91.05475	9.8
92.05769	0.6
93.07040	1.8
95.04957	2.8
97.02881	1.6
98.06059	1.0
100.16006	0.6
102.04659	1.3
102.96811	0.8
103.05464	20.2
104.05753	0.7
105.07023	79.7
106.06649	0.9
106.07347	5.0
107.04951	1.7
115.05451	20.0
116.05795	0.7
116.07040	0.6
117.07003	2.7
118.04153	15.1
118.04959	1.0
118.06534	1.7
119.04952	1.3
119.08568	9.0
121.06483	3.6
123.72842	0.6
126.05482	0.7
128.06216	17.3
129.07001	0.6
130.04111	0.7
131.04930	7.8
131.08546	1.5
132.05705	1.8
133.06485	25.1
133.10115	12.5
134.05957	1.2
134.06857	1.1
134.10442	0.8
141.06952	1.0
143.06047	3.9
143.08548	19.9
144.06544	1.3
144.08865	1.4
145.06464	5.1
146.03619	14.6
146.04800	0.9
146.07257	9.8
146.08322	1.1
147.04327	1.0
154.55936	0.7
155.06082	1.2
159.08047	6.4
161.05977	37.5
161.09602	100.0
161.13176	5.0
162.05452	1.8
162.06517	2.0
162.07829	0.6
162.10016	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	161.1325
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03950	2.0
54.12671	1.4
55.05499	6.4
57.93552	1.3
64.82943	1.3
65.03947	1.9
67.05506	27.4
68.05816	1.6
68.08903	1.4
69.07056	6.5
79.05486	13.8
80.05800	1.4
81.07056	34.1
89.59394	1.5
91.05479	38.3
91.06059	2.1
92.05836	1.6
93.07044	20.9
95.04960	2.3
95.08607	13.2
103.05482	3.6
105.07029	100.0
106.07348	3.6
107.08582	7.0
115.05482	2.1
117.07017	7.4
119.08582	81.5
120.05571	2.4
120.08918	4.6
131.08577	3.4
132.09372	1.6
133.06493	2.9
133.09183	2.3
133.10135	34.4
138.48125	1.3
154.74110	1.5
159.11717	2.7
161.09604	2.1
161.13257	70.8
162.05428	1.8
162.13602	3.2
177.93816	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1324
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03945	0.8
55.05508	6.3
55.94619	0.3
60.00254	0.3
65.03953	0.4
67.05505	0.6
69.07066	2.9
70.93864	0.5
79.05496	3.1
81.07047	1.4
91.05473	9.8
91.06041	0.5
92.05811	0.6
93.07027	1.9
93.61656	0.3
95.04974	0.5
103.05440	1.8
104.06261	0.6
105.07025	19.4
106.07342	0.7
107.08559	1.5
115.05453	1.3
117.07008	3.4
118.04161	0.9
119.08572	100.0
120.08887	4.5
121.10133	4.2
128.06223	0.7
130.07776	0.3
131.04951	0.4
131.08559	3.7
133.06465	1.1
133.10117	22.2
134.10461	0.8
142.92746	0.3
143.08553	0.9
145.10123	0.7
146.03622	1.5
146.07254	0.5
146.10890	1.7
147.04439	0.4
159.11658	1.2
161.05962	2.9
161.09625	4.0
161.13245	24.1
162.05431	0.4
162.13570	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1325
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03945	1.3
53.73640	0.3
55.05510	7.3
59.67051	0.4
65.03903	0.4
65.15443	0.3
67.05502	3.2
69.07070	6.9
70.87196	0.6
75.10370	0.3
79.05495	5.8
80.05820	0.4
81.07056	12.6
84.04482	0.5
91.05482	19.0
92.05798	0.6
93.07045	8.9
94.07363	0.4
95.04974	0.8
95.08601	1.5
102.77013	0.3
103.05466	2.9
103.43692	0.4
104.06264	0.7
105.07030	69.0
106.07327	3.1
107.08598	3.4
115.05460	1.6
116.06194	0.7
117.07016	5.0
118.04195	0.6
119.08579	100.0
120.08871	4.6
121.10142	1.2
124.49096	0.4
131.08551	4.3
132.09320	0.8
133.06470	0.6
133.10127	31.8
134.10449	1.3
144.05653	0.6
144.07903	0.3
145.10094	1.0
146.10931	2.3
159.11670	2.6
161.05971	0.9
161.13261	51.2
162.06639	0.5
162.13597	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	161.1324
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03939	1.6
55.05499	4.6
67.05499	1.7
69.07051	6.6
79.05489	3.2
81.07034	4.6
91.05473	15.7
93.07037	5.3
97.02885	2.3
97.83582	2.1
105.07018	47.9
106.07376	2.7
107.08617	2.5
110.45187	1.4
111.60029	1.6
115.05444	4.0
117.07005	3.3
118.04155	1.6
119.08575	100.0
120.08878	3.8
131.08572	5.0
133.06490	2.8
133.10118	32.0
134.06042	1.4
134.10437	1.8
146.10889	4.0
159.11707	3.6
161.05965	7.2
161.07118	2.1
161.09630	4.0
161.13249	66.5
162.05486	2.6
162.13620	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	161.1326
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03938	0.5
55.05505	1.4
56.46104	0.3
58.71639	0.3
67.05499	0.7
69.07077	1.5
69.48904	1.6
79.05499	2.1
79.11033	0.3
81.07059	1.8
88.39285	0.3
90.04667	0.3
91.05482	8.1
93.07056	1.9
95.04962	0.4
103.05459	1.9
104.06243	0.4
105.07031	22.9
106.07361	1.0
107.08600	0.5
115.05460	1.6
117.07018	2.1
118.04144	0.9
119.08579	100.0
120.08908	4.2
121.10168	0.5
128.06224	0.3
131.04971	0.3
131.08597	1.4
133.06502	2.4
133.10127	10.3
134.10428	0.4
146.03568	0.5
146.07332	0.4
146.10924	0.7
159.11653	0.7
161.05980	2.5
161.09599	2.3
161.13257	14.5
162.13551	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	3.7
57.03432	1.8
58.06598	10.0
59.07383	5.7
60.05647	0.8
60.08165	18.8
62.72367	0.3
70.06590	100.0
71.04989	1.5
71.06287	0.3
71.06926	2.2
71.23549	0.4
73.02913	0.5
73.06548	0.9
76.34126	0.3
83.08605	0.3
84.04478	0.4
84.08141	1.2
85.02901	10.7
85.06543	9.3
87.04446	0.4
88.07584	0.4
89.98212	0.3
90.05546	0.7
102.09176	10.2
103.03941	23.1
103.09501	0.3
103.19786	0.3
104.04290	0.7
112.08730	8.2
113.09067	0.4
126.79134	0.3
130.09761	3.2
144.06532	0.3
144.10301	0.3
144.11296	1.5
148.24690	0.3
162.11252	52.2
163.03906	0.3
163.11615	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	162.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69065	0.1
53.03932	0.3
55.01881	0.2
55.05507	2.1
57.03428	0.2
57.55526	0.1
58.06581	0.1
60.05645	0.9
60.08168	0.5
61.02922	0.2
68.05033	0.2
69.03428	0.3
69.14642	0.4
69.15076	0.4
70.06586	100.0
71.04985	2.2
71.06288	0.2
71.06915	2.4
73.02912	0.1
74.07222	0.1
79.05501	0.1
84.04512	0.4
85.02916	0.9
85.06538	9.1
86.06868	0.3
88.07619	0.5
92.02595	0.1
95.05016	0.2
95.06108	0.2
97.02881	0.2
98.08567	0.1
98.09735	0.1
100.02507	0.2
101.00861	0.4
102.00934	1.3
102.09187	0.3
103.00633	1.7
103.03941	0.9
112.08720	9.8
113.08389	0.1
113.09082	0.3
116.07078	0.1
119.01929	0.9
120.01994	4.5
120.03279	0.2
121.00780	0.2
121.01660	4.3
130.09749	3.8
132.08067	0.1
133.02852	0.4
135.04427	0.5
137.02887	0.2
138.03043	1.2
139.02687	1.2
139.03508	0.1
143.03616	0.1
144.03207	0.9
144.11314	2.6
144.13777	0.2
156.97475	0.4
162.03119	0.2
162.04283	0.9
162.05287	0.1
162.11252	1.3
162.12430	0.3
163.02695	0.2
163.03873	1.3
173.60497	0.1
174.98549	0.3
179.98987	0.1
180.04031	0.2
180.05472	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0385
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.00284	0.5
53.03941	1.8
53.31512	0.3
55.01866	0.5
56.79738	0.4
63.02365	2.4
65.03928	0.4
69.07070	1.2
69.53620	2.5
77.03943	0.6
79.05494	12.9
80.04976	0.5
81.07041	0.8
84.08134	0.6
89.03915	71.5
90.04241	3.0
90.88709	0.4
91.05484	0.9
93.07024	1.3
95.04977	3.0
95.08605	0.7
103.05464	1.2
105.03391	4.6
105.04489	0.6
105.07006	0.5
106.06539	1.6
106.07506	0.4
107.04954	13.5
107.08591	3.1
117.03376	57.1
117.05738	1.2
118.03688	2.6
119.04907	0.4
120.08061	0.9
121.10139	1.4
130.06548	3.8
130.07425	0.6
131.04926	1.2
131.77032	0.4
132.08107	3.7
133.02876	0.8
135.04408	100.0
135.17004	0.4
136.04762	4.9
145.02846	39.7
145.03894	1.9
146.03168	2.5
158.06007	1.1
163.03896	71.1
163.07547	1.1
163.11133	2.0
163.12314	3.0
163.14812	2.1
164.04227	4.0
164.07007	1.0
164.14412	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0385
Annotation	3-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03947	7.2
63.02362	2.2
67.05487	1.2
69.07059	3.1
69.63581	1.3
69.63987	3.5
74.72350	0.9
77.03934	1.5
79.05488	16.4
80.05012	1.0
81.07053	4.3
84.08131	1.8
89.03918	69.3
90.04260	2.5
91.05468	4.8
93.07047	7.8
94.21995	0.9
95.04952	6.7
95.08606	3.3
103.05447	3.2
105.03391	64.7
105.04520	3.0
105.07014	3.3
106.03700	1.6
106.06569	4.9
107.04958	14.8
107.08583	12.6
115.05434	1.1
117.03377	53.5
117.05740	3.7
118.03691	2.4
119.08591	1.4
120.08100	2.3
121.06443	1.3
121.10141	4.4
122.09665	1.5
130.06529	12.4
131.04887	2.2
131.06883	1.0
132.08090	11.3
133.02864	2.5
135.04408	100.0
135.08026	2.0
135.11734	2.0
136.04768	5.3
145.02852	38.2
145.03940	2.6
145.10118	1.1
146.03207	1.1
158.05992	1.8
163.03899	81.9
163.07553	8.5
163.11093	6.7
163.12337	7.9
163.14851	6.9
164.04230	5.2
164.07076	3.3
164.10684	1.4
171.69106	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0389
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03950	2.9
54.22777	0.5
55.01852	0.6
58.96360	0.5
63.02383	1.7
67.05489	0.6
69.07056	1.4
69.33395	3.8
79.05490	12.3
80.05011	0.9
80.05825	0.6
81.07056	1.2
84.08134	0.8
89.03912	75.7
90.04248	3.7
91.05479	2.0
91.35828	0.5
93.07025	2.9
95.04949	2.5
95.08620	0.6
105.03409	1.5
105.04505	1.6
106.06535	2.7
107.04947	14.0
107.08593	4.5
117.03371	55.6
117.05711	2.8
118.03697	3.1
119.04888	0.5
119.08596	0.5
120.08102	1.8
121.10123	2.0
130.06522	6.1
132.08075	5.0
133.02858	0.7
135.04405	100.0
136.04730	5.5
145.02840	36.1
145.03906	2.3
146.03175	2.0
158.06004	0.9
163.03893	73.0
163.11121	2.2
163.12300	4.0
163.14821	2.7
164.04245	4.3
164.10638	0.6
176.43001	0.4
177.54399	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.039
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03942	3.9
55.01863	0.9
60.91022	0.5
62.01584	0.5
63.02380	1.8
65.03927	1.0
67.05515	0.8
68.99785	0.9
69.03429	1.5
69.07072	0.7
69.35931	0.6
69.72005	1.7
69.72411	1.4
71.04992	0.8
75.80272	0.5
77.03931	1.4
79.05495	13.6
81.03402	1.1
81.07068	0.9
81.44823	0.5
85.02914	3.6
89.03916	72.2
90.04244	2.4
91.05499	2.6
93.07034	1.6
95.04980	4.3
95.08612	0.5
97.02885	0.8
99.04420	0.6
103.05467	61.9
104.05802	2.8
105.03405	0.6
105.04500	1.8
105.07012	2.1
107.04956	18.5
107.08550	1.3
108.05265	1.1
114.61650	0.5
115.05460	0.7
117.03378	59.5
117.07000	1.4
118.03744	2.6
119.04937	0.6
119.08561	0.8
120.05742	1.1
121.06509	0.8
121.10146	0.9
130.06509	1.6
131.04926	74.5
132.05244	3.3
132.08069	1.2
133.02858	2.2
135.04411	100.0
135.08037	2.9
135.11665	0.8
136.04774	4.3
136.07542	1.1
145.02846	37.5
145.03844	1.3
145.10156	1.0
146.03174	1.6
163.03900	80.0
163.07535	32.2
163.11157	1.9
163.12344	1.2
163.14786	0.6
164.04253	4.7
164.08038	0.9
171.23044	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.039
Annotation	7-Hydroxychromone
Peak:m/z	Relative Intensity
50.00921	0.4
50.01592	0.5
51.02375	1.2
53.03949	10.0
54.04263	0.4
55.01883	3.2
55.05511	2.9
57.07063	0.7
58.54559	0.4
65.03919	0.6
67.05502	2.8
69.03426	1.7
69.07066	4.6
70.46629	0.6
70.46957	0.6
77.03919	3.7
79.05492	19.8
79.05956	1.0
80.05817	0.7
81.03401	1.5
81.07056	15.7
83.08621	1.7
89.03912	3.0
91.05474	7.4
92.02613	4.5
93.07043	20.0
95.04966	13.2
95.08601	6.8
98.13466	0.4
103.05469	10.2
105.03403	5.6
105.04511	5.2
105.07032	8.7
106.06567	0.7
107.04954	8.8
107.08591	27.1
108.08875	0.7
109.06514	3.1
115.05428	1.2
117.03402	2.4
117.07009	3.4
119.08563	4.6
120.02090	1.6
120.05725	0.6
121.06490	3.3
121.10147	15.0
122.10449	0.6
127.07555	1.7
130.06520	0.6
130.07768	1.4
131.04921	10.2
132.05280	0.5
132.08069	0.8
133.02850	30.5
133.06485	0.7
134.03191	1.2
135.04410	32.1
135.08041	3.6
135.11671	4.5
136.04716	1.1
136.07581	0.4
138.03122	1.1
145.02838	1.5
145.10120	11.3
146.10455	0.7
148.08836	0.6
163.03899	100.0
163.07516	6.1
163.11179	19.6
163.14819	11.9
164.04253	5.4
164.08109	0.5
164.11508	0.8
170.44954	0.4
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	Unknow
Peak:m/z	Relative Intensity
51.02374	1.3
51.61990	1.3
52.88036	1.2
53.03945	12.3
55.01873	16.9
55.05511	2.3
56.05035	16.8
57.03438	21.6
60.08157	5.0
61.02925	20.5
61.08481	4.6
69.03428	59.7
70.03767	2.3
70.12125	4.2
71.04984	3.6
73.02912	13.9
74.02440	7.9
74.06090	6.8
77.03922	2.0
79.05482	10.7
81.03416	8.6
81.07056	2.1
83.01338	1.8
83.04959	2.2
84.04491	3.8
84.08131	2.4
85.02903	100.0
86.03236	3.8
87.01870	1.5
87.04441	1.8
89.03899	7.4
91.03941	3.9
91.05478	2.5
92.02607	3.8
93.07050	3.2
95.04986	10.7
97.02264	1.9
97.02894	19.0
99.04443	10.0
100.02493	1.6
101.00873	2.1
101.02388	10.5
101.05997	1.4
102.05534	21.5
103.00625	4.6
103.03949	4.1
103.05445	9.1
103.09488	2.8
104.04298	6.4
105.03390	8.4
105.04505	6.4
105.07069	2.3
106.06540	2.0
107.04975	6.1
107.08611	2.5
109.02872	4.1
115.03920	2.5
117.03378	4.5
117.05767	2.6
117.06974	2.2
118.03569	3.2
119.01922	4.2
120.02043	1.5
121.01663	21.4
121.06532	2.1
127.03925	14.2
130.06497	5.1
131.01929	1.4
131.04938	8.6
132.08089	6.5
133.02844	21.9
134.03217	1.8
135.04424	31.2
135.05446	1.1
135.08078	4.2
136.04659	3.5
136.07588	1.7
139.02734	7.8
145.02774	3.6
157.97548	1.3
158.96309	1.4
163.03891	85.3
163.07523	4.9
163.08685	2.9
163.11528	18.5
164.04289	4.6
164.06987	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	163.06
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03726	1.0
53.03944	12.8
55.01637	1.2
55.01874	13.5
56.05024	2.2
57.03436	13.9
58.06588	1.8
61.02925	16.5
63.07872	0.9
69.03427	45.7
71.01334	1.1
71.04990	2.4
71.06918	1.3
71.32784	1.4
73.02911	9.9
74.02413	1.1
77.03917	2.1
79.05112	0.9
79.05489	9.0
80.05000	2.3
81.03419	5.9
84.08139	3.5
85.02904	66.6
86.03239	2.4
86.08888	1.2
87.04465	1.4
89.03897	1.1
91.03960	1.4
91.05453	2.1
92.02615	4.1
93.07031	1.7
95.04961	12.0
97.02894	14.4
99.04449	7.4
99.55650	1.0
100.07632	1.2
101.02378	8.4
102.05517	2.7
102.89450	0.9
103.03919	1.0
103.05479	1.1
105.03388	6.1
105.04504	5.4
105.07017	1.8
106.06549	9.9
107.04939	3.0
107.08540	2.5
109.02870	1.4
115.03955	1.9
117.05743	7.1
117.07011	1.3
118.06530	1.1
119.01934	1.3
120.08089	3.4
121.01651	9.6
127.03925	12.1
130.06534	18.3
132.08064	15.9
133.01877	1.8
133.02846	30.0
135.04408	29.8
135.05446	1.5
135.07986	1.6
136.04791	1.7
138.03123	1.4
139.02701	2.6
145.06429	1.5
163.03889	100.0
163.07549	3.8
163.11259	3.4
163.12288	9.0
164.04346	6.3
164.07050	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0601
Annotation	3-Hydroxy-3-methylglutarate
Peak:m/z	Relative Intensity
51.02374	1.3
51.61990	1.3
52.88036	1.2
53.03945	12.3
55.01873	16.9
55.05511	2.3
56.05035	16.8
57.03438	21.6
60.08157	5.0
61.02925	20.5
61.08481	4.6
69.03428	59.7
70.03767	2.3
70.12125	4.2
71.04984	3.6
73.02912	13.9
74.02440	7.9
74.06090	6.8
77.03922	2.0
79.05482	10.7
81.03416	8.6
81.07056	2.1
83.01338	1.8
83.04959	2.2
84.04491	3.8
84.08131	2.4
85.02903	100.0
86.03236	3.8
87.01870	1.5
87.04441	1.8
89.03899	7.4
91.03941	3.9
91.05478	2.5
92.02607	3.8
93.07050	3.2
95.04986	10.7
97.02264	1.9
97.02894	19.0
99.04443	10.0
100.02493	1.6
101.00873	2.1
101.02388	10.5
101.05997	1.4
102.05534	21.5
103.00625	4.6
103.03949	4.1
103.05445	9.1
103.09488	2.8
104.04298	6.4
105.03390	8.4
105.04505	6.4
105.07069	2.3
106.06540	2.0
107.04975	6.1
107.08611	2.5
109.02872	4.1
115.03920	2.5
117.03378	4.5
117.05767	2.6
117.06974	2.2
118.03569	3.2
119.01922	4.2
120.02043	1.5
121.01663	21.4
121.06532	2.1
127.03925	14.2
130.06497	5.1
131.01929	1.4
131.04938	8.6
132.08089	6.5
133.02844	21.9
134.03217	1.8
135.04424	31.2
135.05446	1.1
135.08078	4.2
136.04659	3.5
136.07588	1.7
139.02734	7.8
145.02774	3.6
157.97548	1.3
158.96309	1.4
163.03891	85.3
163.07523	4.9
163.08685	2.9
163.11528	18.5
164.04289	4.6
164.06987	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	163.0601
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.8
53.03945	8.8
55.01868	6.8
55.05502	5.5
57.03439	4.8
61.02918	5.1
63.02377	0.9
64.67435	0.6
65.03922	0.9
65.26719	0.6
66.15672	0.6
67.05500	6.0
68.99796	1.2
69.03425	15.7
69.07073	6.2
70.73734	0.8
71.04996	3.0
71.32203	1.2
73.02918	1.8
75.02722	0.7
77.03909	3.6
79.05489	33.8
80.05806	1.2
81.03423	4.8
81.07053	16.8
83.05000	1.2
83.08629	2.0
83.44281	0.7
85.02902	31.6
86.03233	1.0
87.04484	0.7
89.03922	13.4
90.04249	0.8
91.05476	20.7
92.02628	2.9
93.07040	29.2
95.04968	13.5
95.08610	9.4
96.50174	0.8
97.02892	5.7
99.04451	2.6
101.02422	0.8
103.05465	100.0
104.05799	2.8
105.03405	6.5
105.04484	4.7
105.07022	19.6
106.06554	2.0
106.07320	1.2
107.04950	39.7
107.08589	36.6
108.05253	1.1
108.08873	0.8
109.02876	2.8
109.06515	1.9
115.05427	5.5
117.03396	9.8
117.05760	1.7
117.07016	14.5
119.04899	1.7
119.08575	9.5
120.02076	1.6
120.05699	2.9
121.02895	0.9
121.06508	12.1
121.10142	18.0
127.03930	2.3
127.07501	0.9
129.07011	1.0
130.06525	3.3
130.07779	4.2
131.04919	98.8
132.05193	4.2
132.08099	2.8
133.02850	15.3
133.03865	1.1
133.06464	3.0
133.55994	0.7
134.03201	1.1
135.04414	40.8
135.08044	19.5
135.11673	7.7
136.04832	1.3
136.07571	2.6
136.08485	0.8
141.21747	0.7
143.08542	1.4
145.02858	6.6
145.03906	1.2
145.06491	3.2
145.10106	14.7
146.10468	1.0
148.05171	3.1
148.08836	0.8
149.05963	4.3
163.03899	73.9
163.07541	47.2
163.11166	35.1
163.12238	2.3
163.14810	13.5
164.04274	4.1
164.07040	2.2
164.08199	2.2
164.11578	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.5
53.00312	2.3
53.03944	4.1
55.01868	3.2
57.03448	0.6
57.90946	0.3
58.19175	0.3
64.88072	0.3
65.03922	1.1
67.05500	0.9
68.99761	0.3
71.53468	0.3
73.86855	0.3
77.03928	1.6
79.05489	24.0
80.05806	0.8
81.03405	0.7
84.08104	0.5
91.05476	16.6
92.02671	0.4
92.05750	0.3
92.06262	1.0
93.07063	1.5
95.04388	0.6
95.04962	7.6
103.05462	27.9
104.05778	1.1
105.03403	1.2
105.04517	2.2
105.07027	28.5
106.06548	1.0
106.07359	1.2
107.04948	100.0
107.08577	1.5
108.05275	3.2
109.06514	0.7
115.05450	14.3
116.06321	0.4
117.05736	0.8
117.07018	3.0
119.04929	1.0
119.06066	0.4
120.05722	6.1
121.06486	1.0
130.06528	2.3
131.04929	3.3
132.08105	2.7
133.02841	1.5
133.06494	0.8
135.04424	1.2
135.08047	39.4
136.08359	1.9
145.06454	0.8
145.07602	0.8
148.05162	1.1
149.05986	0.7
163.03900	4.1
163.07536	17.9
163.11159	0.7
163.12300	1.8
164.07988	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0753
Annotation	(+)-4-Hydroxy-1-tetralone
Peak:m/z	Relative Intensity
50.27646	0.2
51.02383	0.8
53.00300	1.8
53.03712	0.5
53.03944	4.4
55.00244	0.2
55.01870	3.1
57.03449	0.7
62.19865	0.3
65.03935	1.3
67.05503	1.0
70.01067	1.1
70.74770	0.2
77.03909	1.3
78.04711	0.3
78.68867	0.3
79.05490	24.9
80.05004	0.5
80.05812	0.6
81.03391	0.8
81.07057	0.4
84.08181	0.6
89.03944	0.4
91.05474	16.1
92.02618	0.4
92.05768	0.6
92.06262	0.9
93.07038	1.8
95.04965	8.7
95.05589	0.4
102.04690	0.5
103.05463	27.8
104.05769	0.7
104.06348	0.4
105.03410	1.3
105.04514	2.9
105.07027	28.2
106.06549	1.4
106.07374	1.2
107.04949	100.0
107.08580	1.7
108.05268	3.4
109.06458	0.3
111.04475	0.3
115.05450	15.2
116.05657	0.4
116.06311	0.4
117.05784	1.3
117.07015	2.8
119.04945	1.1
120.05718	6.0
120.08083	0.6
121.06481	1.0
121.10149	0.6
130.06497	2.9
131.04915	2.9
132.08086	3.0
133.02840	1.1
133.06512	0.8
135.04472	2.0
135.08049	38.6
136.08400	1.6
145.06517	0.6
145.07593	1.3
148.05183	1.0
149.05954	0.3
163.03912	4.5
163.07533	18.1
163.11209	0.5
163.12306	2.1
163.14749	0.5
164.08034	0.6
164.19638	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0754
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
50.01596	0.3
51.02383	0.6
53.00305	1.3
53.03944	4.3
55.01868	3.2
55.05490	0.6
57.03430	0.5
65.03936	1.2
67.05485	1.4
69.03419	0.4
69.07053	0.3
71.32858	0.4
77.03905	1.4
77.16557	0.3
78.04691	0.3
79.05489	24.9
80.05000	0.5
80.05833	0.6
81.03414	0.7
81.07050	1.8
84.08143	0.8
89.03918	0.7
91.05473	14.9
92.02625	0.4
92.05779	0.4
92.06279	0.6
93.03474	0.3
93.07040	2.5
95.04963	7.5
95.08579	1.0
96.05286	0.3
102.04683	0.6
103.05461	39.0
104.05762	1.6
105.03414	2.1
105.04516	3.2
105.07024	28.5
106.06544	1.6
106.07353	1.5
107.04947	100.0
107.07327	1.4
107.08576	5.3
108.05269	2.8
109.06541	0.6
111.04517	0.3
115.05448	13.9
116.06259	0.9
117.05782	1.5
117.07002	3.9
119.04921	1.1
119.06071	0.6
119.08599	1.0
120.05722	5.2
120.08067	0.5
121.06527	1.4
121.10152	1.7
122.09658	5.2
125.76471	0.3
130.06528	3.5
130.07481	0.4
131.04924	25.4
132.05258	1.2
132.08093	4.0
133.02846	3.3
133.06442	0.4
135.04430	5.1
135.08046	41.8
136.08391	2.2
145.06502	0.7
145.07623	1.0
145.10060	1.7
148.05173	0.8
149.06012	0.4
151.07504	0.3
163.03896	11.6
163.07533	29.6
163.11154	3.2
163.12326	2.5
163.14836	0.9
164.04250	0.6
164.06906	0.6
164.08031	0.9
164.10629	2.7
164.14296	0.4
171.35782	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0754
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
51.02381	0.9
52.05740	0.3
53.03947	3.6
55.01862	2.2
57.03428	0.5
61.53301	0.3
65.03955	0.6
67.05499	0.8
69.03435	0.5
69.07073	0.6
71.32274	0.4
72.64904	0.3
76.99709	0.3
77.03941	1.2
79.05489	8.8
80.05799	0.3
80.82912	0.3
81.03420	0.6
81.07056	2.1
84.08144	0.3
89.03914	1.5
91.05479	7.4
91.81466	0.3
92.02606	0.4
92.06273	0.6
92.26757	0.3
93.03449	0.4
93.07043	3.2
95.04959	4.6
102.04629	0.5
103.05465	100.0
104.05782	3.8
104.06337	0.4
105.03420	1.8
105.04502	1.4
105.07034	6.6
106.06580	1.0
106.07302	0.4
107.04951	30.3
107.08597	5.0
108.05309	1.1
109.06511	0.8
115.05457	4.9
117.03381	1.4
117.05756	0.6
117.06991	3.0
117.63500	0.3
118.06521	0.4
119.04957	0.8
119.08583	0.8
120.05718	2.6
120.08083	0.5
121.06510	1.4
121.10156	2.1
130.06537	1.9
130.07761	0.4
131.04924	98.3
132.05254	5.0
132.08063	1.7
133.02850	2.8
133.06487	0.8
135.04419	5.4
135.08047	10.5
135.09058	0.7
135.11693	0.9
136.08427	0.7
145.02869	1.1
145.06490	1.0
145.07573	0.8
145.10123	2.7
148.05182	1.0
158.96289	0.4
159.13678	0.4
163.03897	14.0
163.07549	39.9
163.11194	4.9
163.12337	1.2
163.14796	0.9
164.04330	0.9
164.06868	0.8
164.07970	1.1
164.14352	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0754
Annotation	Cleviolide
Peak:m/z	Relative Intensity
51.02357	1.0
53.00303	1.3
53.03944	8.2
55.01874	5.9
55.05500	0.8
57.03437	1.4
61.66918	0.5
65.03941	1.6
67.05507	2.6
68.99785	0.7
69.03423	0.6
69.07072	1.0
71.31748	1.0
74.24963	0.6
76.41357	0.5
77.03916	3.4
77.95218	0.6
78.04711	1.0
79.05487	38.1
81.03408	1.9
81.07059	3.1
84.08124	1.1
85.26595	0.6
89.03906	3.6
91.05476	30.6
92.05775	1.2
92.06261	3.9
93.07045	7.0
95.04967	11.0
95.05534	0.9
95.08598	2.5
102.04651	1.4
103.05463	100.0
104.05732	1.9
104.06355	4.3
105.03407	1.5
105.04495	4.6
105.07026	56.0
106.06572	1.0
106.07360	2.5
107.04948	76.2
107.08583	8.3
108.05299	2.4
109.06506	1.3
115.05453	17.1
116.06252	0.7
116.07569	0.6
117.03403	1.7
117.05746	1.2
117.06998	5.0
119.04941	2.3
120.05724	15.5
120.06535	1.2
121.02866	1.1
121.06512	10.5
121.10155	3.5
122.03720	0.7
130.06520	1.5
131.04924	15.3
132.05734	2.9
132.08096	3.0
133.02861	1.7
133.06483	5.3
135.04433	7.0
135.08044	59.3
136.08418	2.2
145.02863	0.7
145.06480	3.2
145.07587	1.1
145.10103	0.8
147.04347	0.9
148.05202	5.6
149.05983	8.6
163.03906	8.2
163.07532	38.4
163.11172	3.7
163.12332	2.4
163.14766	4.3
164.08328	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	163.0754
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
50.01606	0.3
51.02390	0.5
53.03959	1.4
53.40908	0.3
55.01876	0.8
62.64157	0.3
63.02393	0.8
65.03937	0.3
67.05499	1.9
67.61990	0.3
69.03424	0.9
69.07055	0.4
69.48208	0.9
69.48626	0.8
71.04996	0.9
77.03945	0.9
79.05495	5.3
81.03414	0.8
81.07056	0.6
85.02911	1.6
89.03918	24.0
90.04253	0.9
90.96660	0.3
91.05481	1.9
92.02630	0.4
93.07046	1.3
95.04966	2.6
95.08571	0.4
97.02894	0.4
102.04649	0.6
103.05468	85.6
104.05791	3.5
105.03403	0.7
105.04517	0.9
105.07022	1.7
106.06575	0.4
107.04953	7.1
107.08604	1.1
109.10184	0.9
115.05460	0.6
117.03376	16.7
117.05750	0.5
117.07048	1.3
118.03732	0.9
118.63006	0.3
119.08617	0.4
120.05719	0.6
121.06515	0.5
121.10175	0.6
126.23682	0.3
130.06505	1.0
131.04929	100.0
132.05243	4.3
132.08083	1.4
133.02873	1.9
135.04411	31.8
135.08041	2.4
136.04741	1.7
136.07533	0.5
145.02850	11.6
145.03783	0.4
145.06493	0.6
145.10133	0.5
146.03175	0.6
163.02467	0.6
163.03905	28.0
163.07541	40.9
163.11176	1.3
163.12273	0.6
163.14825	0.5
164.04286	1.5
164.08008	1.8
181.02885	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0754
Annotation	Cleviolide
Peak:m/z	Relative Intensity
50.01598	0.5
51.02383	1.3
52.03151	0.4
53.00299	0.7
53.03944	5.8
55.01872	5.2
56.03854	0.3
57.03427	1.6
58.01905	0.4
65.03933	1.4
67.05499	1.4
69.03427	0.5
69.07062	0.7
70.42776	0.9
77.03904	1.9
78.04695	0.3
79.05491	32.2
80.05816	0.8
81.03417	1.3
81.07050	0.7
88.26449	0.3
88.29332	0.3
89.03907	2.8
91.05478	24.2
92.02600	0.4
92.06279	3.6
93.07050	3.4
94.04176	0.8
95.04962	9.0
95.08614	1.0
96.36604	0.4
101.10596	0.4
102.04671	2.0
103.05464	100.0
104.05702	3.4
104.06361	0.8
105.03438	1.6
105.04523	3.3
105.07026	56.9
106.06645	0.5
106.07325	1.6
107.04951	52.7
107.08595	5.7
108.05270	1.9
109.06476	0.7
115.05459	13.1
116.06271	0.7
117.03356	1.8
117.05753	0.5
117.07021	3.3
118.07307	0.4
119.04928	2.5
119.06026	0.5
119.08605	0.8
120.05716	15.3
121.02860	0.6
121.06509	6.4
121.10133	1.4
122.03645	1.1
130.06500	1.3
131.04919	15.8
132.05756	2.4
132.08093	1.3
133.02873	0.8
133.06496	2.2
135.04431	4.8
135.08046	59.1
136.08388	2.3
145.02841	0.9
145.06470	2.6
145.07643	0.9
145.10147	1.0
148.05193	5.4
149.05933	1.3
163.03902	4.5
163.07535	37.5
163.11160	3.1
163.12340	0.9
163.14818	2.3
164.04318	0.4
164.07997	1.5
176.54012	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0754
Annotation	(+)-4-Hydroxy-1-tetralone
Peak:m/z	Relative Intensity
51.02385	0.6
53.00319	0.6
53.03948	4.8
55.01874	4.2
55.05514	2.1
57.03446	0.6
65.03950	1.1
65.60403	0.4
67.05503	2.8
69.03430	1.8
69.07083	1.4
71.04996	1.0
71.11731	0.9
77.03938	1.6
78.96573	0.4
79.05495	19.5
81.03440	1.2
81.07063	6.0
83.08644	0.7
85.02917	1.3
86.20326	0.4
89.03928	6.7
91.05484	16.2
92.05774	0.7
92.06280	1.4
93.06451	0.8
93.07048	15.9
95.04970	6.3
95.08620	1.3
102.04694	0.5
103.05470	39.6
104.05803	1.4
105.03411	0.8
105.04478	2.1
105.07034	17.7
106.06577	0.7
107.04957	100.0
107.08598	15.6
107.09351	0.6
108.05293	4.5
109.06476	2.1
115.05459	11.4
117.03410	4.6
117.07021	7.6
119.04968	0.7
119.06016	0.4
119.08591	5.7
120.05735	8.0
120.08884	0.7
121.02917	0.5
121.06508	4.5
121.10149	13.7
122.10458	0.5
123.04420	0.5
127.07572	1.2
130.06548	1.2
130.07768	2.2
131.04930	17.8
132.05278	1.0
132.08081	1.1
133.02863	1.9
133.06506	2.3
133.07442	0.5
135.04425	11.6
135.08061	23.3
135.11684	8.4
136.04764	0.5
136.07500	0.5
136.08430	0.8
143.08560	0.8
145.02875	3.1
145.03864	0.7
145.06476	1.7
145.07603	3.4
145.10133	12.1
146.10493	0.9
148.05186	1.1
161.07222	0.5
163.03911	15.4
163.07547	19.3
163.11171	19.7
163.12222	0.9
163.14839	1.9
164.04263	0.7
164.07996	1.1
164.11560	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0754
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
50.07903	0.2
50.49324	0.2
51.02378	0.5
53.03946	2.2
55.01868	0.7
55.05494	0.3
55.56459	0.2
55.95216	0.2
57.71399	0.2
67.05500	0.5
69.03413	0.8
69.07066	0.8
71.04987	0.3
71.33013	0.3
77.03925	0.8
79.05489	3.4
80.05025	0.5
81.07047	1.1
84.08147	0.9
85.22770	0.2
85.80212	0.2
89.03925	0.8
89.67275	0.2
91.05482	2.4
92.02601	0.6
93.07043	2.7
95.04961	2.6
95.08611	0.7
102.04655	0.3
102.87514	0.3
103.05461	86.0
104.05782	3.2
105.03407	1.7
105.04491	0.8
105.07021	2.9
106.06556	1.5
107.04950	6.0
107.08571	3.1
107.09132	0.3
109.06488	0.5
115.05437	1.2
117.03360	0.5
117.05757	1.0
117.06995	1.3
118.06525	0.3
119.04919	0.3
119.08567	1.0
120.05726	0.4
120.08101	0.5
121.06522	0.9
121.10140	3.0
130.06517	2.9
130.07707	0.6
131.04919	100.0
132.05229	4.0
132.08084	3.4
133.02843	2.5
133.06474	0.4
135.04401	3.9
135.08055	2.6
135.11661	1.1
145.02844	0.6
145.06519	0.6
145.10127	2.1
148.05092	0.7
148.08835	1.3
149.05954	0.6
163.03894	9.6
163.07533	41.7
163.11154	11.4
163.12306	1.8
163.14838	0.8
164.04381	0.4
164.08072	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	1.1
53.03743	0.8
53.03944	7.2
55.01855	3.2
55.05501	3.4
57.03444	6.8
59.05005	1.7
61.02920	2.1
62.48674	0.9
63.02386	1.4
67.05488	4.2
68.99787	1.8
69.03427	7.6
69.07066	1.4
69.73711	4.9
71.04976	3.4
71.08627	5.0
77.03924	2.6
78.95289	1.0
79.05491	29.7
80.05830	1.1
81.03413	2.4
81.07053	21.6
83.04979	1.2
85.02901	10.6
85.06528	2.2
85.16450	1.2
89.03915	65.4
90.04256	2.9
91.05468	14.6
92.02637	2.4
93.07043	12.1
95.04975	10.2
95.08604	2.3
97.02901	1.6
99.08085	9.2
103.05467	58.1
104.05782	1.9
105.03397	6.8
105.04517	4.1
105.07017	18.5
106.06549	2.8
106.93745	1.0
107.04955	28.1
107.08579	13.8
107.46582	1.0
108.05247	1.4
109.06519	16.0
115.05460	3.1
117.03378	50.8
117.05719	2.3
117.06990	9.4
117.09094	6.5
118.03702	2.0
119.04951	2.6
119.08564	4.5
120.05709	3.7
120.08100	1.8
121.06486	6.6
121.10157	5.6
127.07564	5.5
130.06522	5.1
130.07765	3.4
131.04926	56.8
132.05228	2.5
132.08087	5.8
133.02864	8.7
133.06487	1.5
135.04410	94.9
135.08043	21.8
135.11674	3.4
136.04767	4.5
136.07564	3.7
136.76700	1.0
145.02859	34.6
145.03920	2.2
145.06464	4.1
145.10083	7.9
146.03156	2.4
148.05183	2.6
149.05945	2.1
163.03900	100.0
163.07529	37.9
163.08646	1.2
163.11169	13.8
163.12325	3.7
163.14830	2.3
164.04266	6.7
164.06912	2.3
164.08154	2.6
168.04227	1.0
181.02803	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.6
55.01868	9.2
55.05508	9.6
56.52046	0.9
57.03419	1.2
57.07068	1.1
57.86248	0.8
65.03927	2.5
67.05503	10.0
68.99773	1.1
69.03423	9.9
69.07067	6.7
71.04979	2.4
71.32498	1.2
77.03913	1.0
79.05486	44.3
80.05818	2.1
81.03403	1.9
81.07053	57.6
82.07389	1.4
83.04975	2.2
83.08617	2.5
85.02907	0.8
86.34153	0.9
89.03914	13.9
91.05473	29.0
93.03411	1.9
93.07039	70.3
94.07351	3.0
95.04969	12.0
95.08614	8.7
97.06483	0.9
103.05463	34.7
105.03364	1.5
105.04525	2.2
105.07026	36.2
106.07340	1.9
107.04950	31.6
107.05679	1.6
107.08586	56.0
108.05236	1.2
108.08914	1.7
109.06519	15.0
110.06818	1.1
115.05457	4.9
117.03367	10.7
117.07006	17.6
119.04999	1.1
119.06050	1.6
119.08572	22.5
120.05730	1.9
121.06510	14.2
121.10136	53.3
122.10455	2.3
123.07965	1.3
127.07539	9.7
129.07043	1.9
130.06697	1.3
130.07774	11.6
131.04921	31.5
132.05272	1.5
132.08052	1.3
133.02824	2.6
133.06502	3.9
133.07510	1.0
133.10011	1.5
135.04405	22.5
135.08052	15.0
135.11676	13.0
136.04793	1.2
143.08565	3.1
145.02853	6.9
145.06421	2.4
145.10114	65.5
146.10419	3.6
147.08058	1.1
148.05106	1.5
148.08807	3.1
149.05916	4.2
163.03897	26.7
163.07549	20.1
163.11171	100.0
163.14825	9.3
164.04404	1.5
164.06958	1.4
164.08243	2.0
164.11526	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	163.1116
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	1.7
53.03946	6.6
55.01866	8.1
55.05495	5.1
62.94153	0.9
65.03930	3.1
67.05502	10.9
69.03423	5.4
69.07063	2.2
69.09278	6.4
69.09679	2.0
71.05000	1.6
77.03922	2.7
79.05489	45.4
80.05005	1.0
80.05814	1.1
81.07053	57.2
82.07382	2.2
83.04977	2.1
84.08160	1.6
89.03912	2.2
91.05473	28.9
92.02618	1.4
93.03421	1.1
93.07040	68.8
94.07368	1.4
95.04962	13.8
95.08566	2.1
100.69944	0.9
103.05460	43.0
104.05789	2.5
105.03386	2.6
105.04480	2.3
105.07024	29.9
106.06603	4.5
106.07300	1.7
107.04950	35.2
107.07897	1.9
107.08588	26.9
108.08895	1.5
109.06513	20.6
115.05441	10.1
117.05750	3.1
117.07011	24.3
118.07349	1.6
119.08579	31.0
120.05718	2.8
120.08096	2.4
120.08875	1.1
121.06514	8.6
121.10140	68.3
122.10502	3.0
123.08073	1.7
124.50327	0.9
127.07548	15.7
128.06184	0.9
129.07030	1.1
130.06523	8.9
130.07768	10.6
131.04927	40.7
132.05246	2.2
132.08092	10.7
133.02849	5.8
133.06471	4.3
133.10042	1.2
135.04424	10.7
135.08046	19.4
135.11690	8.9
136.07544	2.1
143.08546	3.9
145.06476	2.6
145.10118	87.8
146.10474	6.0
148.05107	1.7
148.08833	3.2
161.09540	1.2
163.02589	1.7
163.03906	22.5
163.07544	66.7
163.11166	100.0
163.12286	7.2
164.04372	1.9
164.07860	3.2
164.11514	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	163.1118
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02380	0.5
53.03951	2.1
55.01874	1.8
55.05515	4.4
57.03430	0.5
57.07071	1.2
65.03947	1.1
67.05511	3.3
69.03419	2.0
69.07069	10.4
69.81966	0.7
69.82365	1.3
71.04978	0.7
73.44953	0.5
77.03956	0.7
78.61288	0.4
79.05491	15.1
81.06584	0.5
81.07059	10.2
82.70387	0.4
83.04987	0.8
83.08616	3.9
85.02938	0.5
89.03912	3.7
91.05481	11.8
92.06280	0.5
93.07047	20.8
94.07378	0.6
95.04977	4.3
95.08620	4.0
98.22635	0.5
103.05470	28.1
104.05771	0.8
105.03384	0.9
105.04524	1.0
105.06355	0.8
105.07036	13.0
106.07343	0.5
107.04958	13.6
107.08596	36.1
108.08926	1.2
109.06521	2.4
109.10188	0.7
115.05455	2.3
117.03369	2.4
117.07025	5.5
119.06091	0.7
119.07771	0.6
119.08581	6.9
120.05697	0.7
121.06530	4.5
121.10148	30.3
122.10449	1.0
127.07532	1.1
130.07782	2.0
131.04930	27.8
132.05287	1.1
132.08116	0.8
133.02776	0.6
133.06490	3.0
133.07474	0.7
133.10162	0.7
135.04430	5.7
135.08058	6.9
135.11703	15.5
136.12006	1.0
137.09595	0.6
143.08507	0.8
145.02852	1.6
145.06433	0.7
145.08989	0.7
145.10121	13.5
146.10431	0.5
147.08067	3.5
148.05176	0.6
148.08829	13.3
149.05966	1.2
149.09235	0.7
163.03925	7.6
163.07547	13.0
163.11182	100.0
163.14780	8.9
164.08246	0.8
164.11537	5.8
164.15211	0.6
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
50.01593	1.0
51.02390	1.4
53.03949	15.4
53.82056	1.0
55.01875	10.2
55.05515	15.1
55.10844	1.1
57.03430	1.6
65.03934	1.4
67.05513	6.7
69.02510	10.4
69.03433	18.1
69.07067	7.8
71.04980	4.6
77.03936	5.5
79.05496	44.4
80.05830	1.2
81.03399	2.5
81.07056	22.6
83.04978	2.2
85.02906	3.5
85.62925	0.9
89.03917	4.0
91.05482	38.7
92.02606	4.8
92.05798	2.5
93.07046	89.5
94.07364	2.4
95.04974	21.8
95.08614	6.4
98.23318	2.3
103.05473	46.2
103.59298	1.0
105.03397	6.9
105.04515	7.0
105.07032	37.1
106.07288	1.6
107.04958	28.9
107.08595	68.0
108.05273	1.3
108.08942	2.8
109.06519	10.7
115.05455	7.2
116.06268	0.9
117.03373	3.7
117.07025	18.4
119.06080	1.9
119.06873	2.9
119.08579	19.3
120.02087	1.7
121.06506	25.4
121.10143	41.7
122.07247	1.8
122.10461	1.8
123.08047	2.0
127.07558	3.6
129.07025	2.1
130.04129	1.4
130.06834	1.4
130.07776	9.1
131.04935	43.9
132.05254	1.7
132.08092	1.5
133.02858	28.4
133.03876	1.8
133.06508	2.8
133.10147	2.4
133.86777	1.0
134.03177	2.3
135.04420	37.6
135.08055	28.4
135.11688	23.2
136.04732	2.1
136.11987	1.8
143.08588	2.1
145.02815	1.7
145.06427	1.5
145.10126	44.4
146.10477	2.4
148.05142	2.1
148.08844	2.4
149.06004	1.1
163.03906	100.0
163.07541	29.1
163.11182	70.8
163.14815	5.5
164.04243	5.5
164.08000	1.3
164.11539	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	163.1118
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.41801	0.8
53.03939	4.8
54.18214	0.8
55.01876	8.3
55.05514	5.7
62.72370	0.8
65.03937	2.4
67.05504	11.6
69.03422	4.2
69.07053	2.8
71.05256	1.2
77.03915	2.2
79.05490	43.3
80.05840	1.1
81.07057	66.6
82.07388	2.2
83.04978	2.0
89.03903	1.4
91.05480	24.7
93.03389	1.5
93.07044	79.4
94.07369	2.8
95.04969	10.9
95.08608	2.1
103.05470	10.9
105.04453	1.1
105.07028	27.3
107.04957	6.2
107.08593	30.2
109.06517	20.9
115.05450	2.5
116.03527	0.9
117.07022	15.2
119.06026	1.3
119.08582	34.2
120.08892	0.9
121.06526	8.9
121.10141	71.7
122.10480	2.7
123.08066	1.9
127.07553	18.0
128.06267	1.4
130.07800	13.5
131.04948	8.8
131.08049	0.9
133.06496	2.4
135.04422	2.0
135.08049	8.7
135.11685	7.7
143.08556	3.4
145.10121	92.2
146.10510	5.1
148.08833	4.3
161.09677	1.1
163.03912	3.3
163.07576	5.8
163.11180	100.0
164.11488	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	163.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.8
53.03948	6.5
55.01873	6.8
55.05513	13.6
57.03431	0.9
57.07077	26.4
63.02378	0.8
63.61723	0.7
65.03931	2.3
67.05505	7.3
69.01812	7.9
69.02231	2.1
69.03436	8.1
69.07062	3.7
71.04980	1.7
77.03930	2.8
77.87151	0.8
78.95258	0.9
79.05492	36.8
81.03397	1.4
81.07058	25.8
81.29979	0.8
83.04958	0.9
83.08614	3.5
85.02902	3.7
89.03914	12.7
89.05527	1.4
89.06035	19.5
91.05482	26.6
91.06054	1.3
93.07045	40.9
94.07369	0.9
95.04971	10.0
95.08603	4.0
101.09640	2.8
103.05468	100.0
104.05755	4.6
105.03370	0.9
105.04519	2.8
105.07036	26.4
106.07326	1.7
107.04955	94.1
107.07038	3.0
107.08596	30.5
108.05276	3.9
108.08932	1.3
109.06509	8.1
115.05463	10.3
117.03378	8.9
117.07023	11.5
119.08582	17.4
120.05737	7.8
121.06544	9.0
121.10145	26.8
122.10466	2.5
127.07561	5.1
128.06253	1.1
129.06989	1.9
130.06528	1.8
130.07768	7.9
131.04929	82.7
132.05276	3.5
132.08067	2.6
133.02823	3.1
133.06490	5.6
135.04419	18.3
135.08058	24.0
135.11682	10.5
136.07559	7.2
136.08449	1.5
143.08562	1.9
145.02859	4.9
145.03905	1.1
145.06538	1.4
145.07622	3.6
145.08963	1.8
145.10124	38.3
146.10492	2.1
147.08061	1.2
148.05199	2.3
148.08861	3.2
149.05954	3.4
163.03912	21.5
163.07553	33.5
163.11179	65.7
163.12199	2.4
163.14827	4.7
164.04420	1.5
164.08197	2.5
164.11551	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	163.148
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.59423	1.6
53.03931	2.9
55.01867	1.9
55.05497	3.7
65.03955	1.5
67.05511	3.5
69.06707	1.7
69.07065	20.9
77.46121	1.4
79.05493	23.5
79.73232	1.3
80.05010	3.1
80.05823	1.3
81.07053	21.5
82.61974	1.1
83.08612	3.8
84.08142	3.9
89.03909	10.0
91.05473	18.9
93.07043	33.5
95.04948	5.1
95.08607	18.4
103.05444	4.4
105.03381	7.4
105.07018	9.7
106.06556	6.3
107.04977	6.7
107.08590	100.0
108.08923	4.4
109.06470	2.5
109.10174	1.6
115.05479	2.6
117.03367	7.6
117.05748	6.2
117.07021	3.8
119.06035	2.1
119.08592	3.6
120.08092	3.1
121.06503	1.6
121.10151	23.7
122.10488	1.8
130.06541	13.4
130.87444	1.3
131.04929	3.1
132.08083	12.4
133.02824	3.9
135.04413	15.9
135.08046	6.3
135.11705	10.3
137.32019	1.3
145.02827	3.9
145.06487	1.6
145.10043	2.7
161.13211	1.3
163.03894	21.5
163.05103	1.9
163.07532	13.0
163.11136	14.8
163.12326	11.3
163.14812	48.5
163.16179	3.1
164.04335	2.3
164.07076	5.2
164.10664	3.6
164.15273	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00297	0.9
53.03946	5.3
55.01871	6.1
55.05512	10.0
56.84640	0.6
57.07074	1.6
59.49790	0.7
62.70331	0.7
63.02381	0.8
63.31171	0.7
65.03941	2.5
67.05502	12.2
67.50395	0.7
69.03431	6.3
69.07064	18.6
69.18206	0.9
71.04986	1.5
71.31023	1.2
77.03928	2.7
79.05494	50.6
80.05833	1.4
81.03417	1.5
81.07056	54.2
82.07393	1.4
83.05001	1.0
83.08617	8.1
85.02905	3.0
89.03919	12.7
91.05477	30.1
92.05795	1.6
93.03420	0.9
93.07043	75.1
94.07384	3.0
95.04973	9.7
95.08601	27.6
95.86810	0.8
96.08912	1.2
97.02893	1.0
97.06533	0.9
102.04718	0.7
103.05467	52.0
104.05801	3.3
105.03397	2.0
105.04518	2.4
105.07029	28.2
105.07740	1.2
106.07338	1.7
107.04384	0.7
107.04956	33.1
107.08591	100.0
108.05288	1.6
108.08888	4.0
109.06524	9.5
109.10146	1.8
115.05453	8.7
117.03376	9.0
117.07021	16.6
118.07388	0.9
119.08589	19.0
120.05722	1.6
120.08936	0.7
121.06518	8.0
121.10144	58.2
122.10478	2.8
123.08068	1.1
124.91602	0.7
127.07541	6.4
128.06026	0.8
130.04103	0.8
130.06514	1.0
130.06700	1.0
130.07790	9.8
131.00366	0.8
131.04924	49.6
131.08119	0.9
132.05281	3.4
132.08083	1.5
133.02875	4.5
133.06490	2.0
133.10147	2.0
135.04416	21.2
135.08049	13.1
135.11687	19.6
136.07550	4.7
136.12024	1.2
143.08578	1.9
145.02846	5.7
145.06490	3.4
145.10120	42.1
146.10471	3.0
148.05174	2.1
148.08791	1.9
149.05957	1.7
161.09700	0.8
163.03905	26.4
163.07550	48.3
163.11185	63.2
163.14810	48.6
164.04382	1.3
164.07947	2.7
164.11548	4.4
164.15234	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	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02394	0.5
51.80759	0.3
53.03944	2.1
55.01869	1.4
55.05510	4.7
57.07080	1.9
65.03935	0.6
67.05500	1.9
69.03436	1.6
69.07066	14.2
70.51325	0.3
71.04974	0.6
71.32182	0.7
77.03928	0.8
79.05494	12.7
80.05831	0.3
81.03407	0.5
81.07055	5.6
83.04969	0.6
83.08618	5.3
89.03909	2.7
91.05476	12.0
93.07043	17.4
94.07358	0.9
95.04975	3.1
95.08609	4.4
103.04766	0.8
103.05463	17.1
104.05795	1.2
105.03380	0.9
105.04504	0.8
105.06346	0.7
105.07028	11.5
106.07326	0.4
107.04957	12.5
107.08594	45.1
108.08929	1.5
109.06509	1.4
109.10159	0.5
115.05450	1.5
117.03338	2.2
117.07024	3.7
119.04944	0.4
119.06035	0.5
119.08578	7.1
120.05735	0.6
120.09415	0.4
121.06518	3.0
121.10144	35.9
122.10486	1.5
123.08063	0.7
130.06517	0.5
130.07762	1.5
131.04926	18.6
132.05186	1.6
132.08083	0.7
133.02861	1.2
133.06522	3.7
133.07539	0.7
133.10117	0.9
135.04404	4.7
135.08063	5.0
135.11691	20.3
136.12061	0.7
145.02826	1.8
145.10124	7.9
146.10516	0.7
147.08070	4.0
148.05182	1.0
148.08830	13.2
149.05991	1.1
149.09215	1.2
163.03922	5.7
163.07561	9.8
163.11177	100.0
163.14815	10.6
164.04286	0.7
164.08113	1.4
164.11526	7.1
164.15169	0.8
165.20694	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	0.5
51.80759	0.3
53.03944	2.1
55.01869	1.4
55.05510	4.7
57.07080	1.9
65.03935	0.6
67.05500	1.9
69.03436	1.6
69.07066	14.2
70.51325	0.3
71.04974	0.6
71.32182	0.7
77.03928	0.8
79.05494	12.7
80.05831	0.3
81.03407	0.5
81.07055	5.6
83.04969	0.6
83.08618	5.3
89.03909	2.7
91.05476	12.0
93.07043	17.4
94.07358	0.9
95.04975	3.1
95.08609	4.4
103.04766	0.8
103.05463	17.1
104.05795	1.2
105.03380	0.9
105.04504	0.8
105.06346	0.7
105.07028	11.5
106.07326	0.4
107.04957	12.5
107.08594	45.1
108.08929	1.5
109.06509	1.4
109.10159	0.5
115.05450	1.5
117.03338	2.2
117.07024	3.7
119.04944	0.4
119.06035	0.5
119.08578	7.1
120.05735	0.6
120.09415	0.4
121.06518	3.0
121.10144	35.9
122.10486	1.5
123.08063	0.7
130.06517	0.5
130.07762	1.5
131.04926	18.6
132.05186	1.6
132.08083	0.7
133.02861	1.2
133.06522	3.7
133.07539	0.7
133.10117	0.9
135.04404	4.7
135.08063	5.0
135.11691	20.3
136.12061	0.7
145.02826	1.8
145.10124	7.9
146.10516	0.7
147.08070	4.0
148.05182	1.0
148.08830	13.2
149.05991	1.1
149.09215	1.2
163.03922	5.7
163.07561	9.8
163.11177	100.0
163.14815	10.6
164.04286	0.7
164.08113	1.4
164.11526	7.1
164.15169	0.8
165.20694	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02375	0.7
53.03940	3.8
54.40556	0.4
55.01866	3.0
55.05511	11.2
57.03437	0.9
57.07066	1.3
63.32772	0.4
65.03938	1.4
67.05505	9.3
68.99774	0.6
69.03427	5.5
69.07069	15.7
71.04996	1.3
71.34431	0.6
72.43991	0.5
77.03931	2.0
78.04697	0.4
79.05492	36.2
80.05835	1.2
81.03415	0.7
81.07054	43.1
82.07384	1.4
83.08622	7.2
85.02910	1.7
89.03913	5.3
91.05476	22.4
92.02632	0.6
92.05798	0.8
92.06296	0.9
93.07043	58.5
94.07360	2.8
95.04973	5.8
95.08603	26.4
96.08917	1.0
97.10158	1.0
103.05465	45.5
104.05748	2.4
105.03396	1.2
105.04511	1.6
105.07027	17.1
106.07325	1.2
107.04955	24.1
107.08589	100.0
108.05284	0.8
108.08907	4.3
109.06544	2.6
109.10149	2.3
115.05459	4.6
117.03383	3.5
117.07019	6.6
118.07341	0.9
119.06095	0.8
119.08573	7.0
120.05699	2.3
120.08003	0.5
121.06508	11.2
121.10142	33.9
122.10472	1.3
123.08076	0.6
129.07043	0.5
130.06512	0.6
130.07794	2.6
131.04921	40.8
132.05199	2.8
133.02844	2.1
133.06499	2.0
133.10138	1.2
135.04411	9.8
135.08047	13.1
135.11679	16.3
136.04814	0.6
136.07520	0.8
136.08427	0.7
143.08557	0.6
145.02869	2.5
145.03867	0.5
145.06480	2.3
145.07591	1.1
145.10107	10.0
146.10428	1.0
148.05161	1.0
148.08788	0.7
149.05992	1.1
161.13315	0.6
163.03909	15.2
163.07536	19.3
163.08910	1.1
163.09753	0.7
163.11179	20.7
163.14813	42.6
164.04227	1.1
164.08101	1.0
164.11685	1.0
164.15158	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02382	1.2
53.03948	9.7
55.01873	4.1
55.05518	10.0
55.74807	0.6
57.03430	1.3
57.07071	1.2
63.02379	0.6
65.03947	1.5
67.05505	5.5
69.03427	1.9
69.06709	1.1
69.07069	17.0
71.04996	4.1
71.08586	0.7
71.31318	1.0
71.85719	0.6
77.03912	4.2
77.21988	0.6
79.05495	30.3
80.05842	1.1
81.00474	0.8
81.03407	2.0
81.07059	32.3
82.07385	1.0
83.04970	0.7
83.08620	5.4
84.10965	0.6
85.02911	3.7
89.03918	2.7
91.04939	1.3
91.05483	19.6
92.02621	4.0
92.05760	0.7
93.07046	50.9
94.07382	2.4
95.04967	14.2
95.08610	17.2
96.08952	1.1
103.05469	22.6
104.05776	1.0
105.03407	4.7
105.04510	6.3
105.06345	1.2
105.07030	17.1
107.04954	17.0
107.08594	100.0
108.05282	0.8
108.08886	3.6
109.06525	5.4
109.10159	1.5
109.42111	0.6
115.05450	2.9
117.03396	2.5
117.05750	0.7
117.07029	6.1
119.06065	1.3
119.08584	8.9
120.02063	1.5
121.06526	4.8
121.10146	45.0
122.10497	2.3
127.07556	2.3
130.06549	1.3
130.07773	3.6
131.04929	21.6
132.05251	1.4
132.08047	0.9
133.02856	24.4
133.06494	1.3
133.10086	0.7
134.03175	1.9
135.04417	28.5
135.08052	6.5
135.11696	14.7
136.04788	1.0
136.07597	1.3
143.08507	0.8
145.02887	1.5
145.06488	2.4
145.10132	21.1
146.10486	2.0
147.08008	0.8
148.05247	0.8
148.08817	1.5
163.03908	82.4
163.07550	18.1
163.11176	31.6
163.14819	35.5
164.04254	6.1
164.08047	1.2
164.11490	1.9
164.15182	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	0.3
51.02375	0.4
53.03941	1.9
55.01868	15.5
55.05497	0.2
65.03939	0.4
67.05505	0.8
69.03429	0.2
69.07062	0.3
71.31905	0.2
72.53736	0.2
77.03873	0.9
78.04705	4.9
79.05094	0.2
79.05484	4.8
80.05818	0.4
81.03413	0.8
81.07047	1.5
82.99844	0.3
91.05473	12.6
92.05814	0.4
93.03406	0.2
93.07035	13.1
94.04176	0.4
94.07379	0.6
95.04415	0.3
95.04962	3.2
95.08601	0.9
100.02402	0.2
101.00871	3.2
103.05460	22.1
104.06246	37.1
105.03397	0.4
105.04509	1.4
105.07072	7.5
106.06569	0.2
106.07317	0.5
107.04944	2.4
107.07362	0.2
107.08598	0.8
108.05254	0.6
108.08894	0.2
109.02870	0.7
109.06507	1.0
109.10145	0.5
115.05426	0.3
117.07012	0.2
119.01910	15.3
119.04944	0.4
119.08538	0.8
120.08803	0.2
121.06496	41.8
121.67464	0.2
122.03640	0.6
122.06791	2.0
122.09639	0.6
122.10427	0.2
123.04418	0.2
123.08063	0.8
124.02448	0.5
124.05201	0.3
130.13213	0.2
131.04918	34.3
132.05728	13.9
133.06485	25.6
134.06808	1.3
135.04414	1.0
135.08011	0.2
136.07481	0.4
137.02946	6.1
137.05962	4.8
137.09599	0.7
142.03491	8.7
145.06471	0.3
147.04408	0.3
147.08034	5.1
147.11673	0.6
148.08383	0.3
149.05966	100.0
150.06306	6.2
160.04533	3.5
163.07527	3.8
164.08316	50.6
164.14296	0.4
165.05464	1.7
165.06697	0.3
165.07173	0.3
165.08701	3.5
165.12671	1.1
174.40167	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	165.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71161	0.6
76.95546	0.5
82.01428	0.9
82.99831	6.1
100.02489	0.8
101.00877	51.1
102.00928	2.6
119.01916	100.0
120.02003	5.9
124.02459	7.5
125.02572	0.5
130.56396	0.5
132.08937	0.6
137.02948	15.5
138.03008	0.9
138.68826	0.5
142.03494	68.2
143.03633	4.1
160.04553	14.0
161.04703	1.4
165.05061	0.9
172.36867	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05015	0.5
57.03428	0.5
62.80462	0.3
69.03429	0.9
70.06583	0.4
71.31440	0.5
74.02427	1.0
75.02681	0.5
82.01433	0.6
82.99820	2.6
83.04974	0.5
85.02905	0.7
91.05452	0.9
95.04966	2.2
100.02467	0.8
101.00871	33.9
102.00925	2.0
118.03503	0.7
119.01912	100.0
119.04883	1.8
120.01986	6.0
120.08116	0.4
121.02335	0.5
123.04415	2.7
124.02426	3.9
131.01828	0.4
133.03499	0.6
137.02948	24.7
138.03029	1.8
142.03490	53.5
143.03595	4.2
147.04337	0.5
160.04547	13.5
161.02951	0.4
161.04706	0.6
165.05125	1.4
165.11281	0.4
166.08420	0.5
169.26695	0.3
174.20514	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12023	0.4
57.42075	0.4
69.31736	0.4
70.36303	1.1
77.58085	0.4
80.94974	0.4
81.95988	0.4
82.99841	4.2
91.05450	0.5
100.02468	1.1
101.00877	44.5
102.00930	2.4
119.01914	100.0
119.08420	0.4
120.01996	6.5
123.04398	0.5
124.02436	5.9
124.84169	0.5
126.98810	0.5
133.50278	0.4
137.02951	19.8
138.03027	1.0
142.03494	54.8
143.03595	3.9
160.04549	13.0
165.05205	0.9
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	trans-3-Hydroxycinnamate
Peak:m/z	Relative Intensity
53.03919	0.7
55.01838	1.8
56.96532	0.8
57.37405	0.6
65.03934	2.6
65.04208	0.5
67.05471	2.0
69.03399	0.6
70.92704	0.9
77.03906	0.9
79.05495	3.0
81.03391	0.7
81.07025	1.8
90.09291	0.6
91.05476	29.8
92.05784	1.4
93.07008	2.0
94.04113	0.9
95.04988	3.2
95.08567	0.8
101.00871	7.3
102.00958	0.8
103.05430	2.0
105.07027	11.2
106.07333	0.6
107.04949	0.7
109.06486	1.6
109.10125	2.0
115.05358	0.8
119.01921	22.3
119.04939	56.4
119.08559	3.1
120.02034	1.7
120.05266	2.2
120.08099	1.8
121.06456	1.0
122.03627	0.8
123.04437	9.7
123.08060	1.1
124.02409	1.3
133.02826	1.2
133.06490	8.0
137.02975	5.1
137.04918	0.9
137.05978	19.2
137.09589	1.4
138.06335	0.7
138.09134	1.7
142.03500	13.7
143.03615	0.8
147.04402	100.0
147.08072	1.7
148.04741	4.8
160.04564	4.3
165.05482	21.4
165.09088	3.4
166.05986	1.0
166.08633	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
54.26837	0.2
55.01870	0.5
65.03929	1.7
67.05507	1.0
68.22769	0.3
69.03423	0.3
69.07086	0.3
69.18746	2.1
79.05486	2.1
80.27912	0.3
80.41102	0.3
81.03429	0.4
81.07063	0.9
82.99866	0.6
84.91038	0.3
91.05477	27.1
92.05801	1.0
93.07041	0.8
95.04966	5.1
95.08606	1.1
101.00874	7.5
102.01007	0.3
103.05452	1.2
105.07028	5.1
107.04967	0.4
107.08553	0.6
109.06503	1.1
109.10139	0.5
119.01918	27.9
119.04937	54.3
119.08585	1.1
120.01945	1.6
120.05250	2.6
121.06542	0.5
121.10166	0.3
122.03639	0.3
123.04424	10.0
123.08051	0.6
124.02417	1.6
131.52571	0.2
133.06485	3.7
134.06775	0.3
137.02954	10.7
137.05966	8.3
137.09653	0.5
138.03113	0.6
138.06360	0.3
142.03493	17.7
142.96652	0.5
143.03630	1.6
147.04401	100.0
147.11702	0.5
148.04742	5.6
150.06726	0.6
150.08049	0.2
160.04559	5.9
161.04771	0.5
165.05460	4.6
165.06929	0.6
165.09093	4.7
165.10353	0.4
165.12718	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0547
Annotation	trans-3-Hydroxycinnamate
Peak:m/z	Relative Intensity
53.03939	0.5
54.26837	0.2
55.01870	0.5
65.03929	1.7
67.05507	1.0
68.22769	0.3
69.03423	0.3
69.07086	0.3
69.18746	2.1
79.05486	2.1
80.27912	0.3
80.41102	0.3
81.03429	0.4
81.07063	0.9
82.99866	0.6
84.91038	0.3
91.05477	27.1
92.05801	1.0
93.07041	0.8
95.04966	5.1
95.08606	1.1
101.00874	7.5
102.01007	0.3
103.05452	1.2
105.07028	5.1
107.04967	0.4
107.08553	0.6
109.06503	1.1
109.10139	0.5
119.01918	27.9
119.04937	54.3
119.08585	1.1
120.01945	1.6
120.05250	2.6
121.06542	0.5
121.10166	0.3
122.03639	0.3
123.04424	10.0
123.08051	0.6
124.02417	1.6
131.52571	0.2
133.06485	3.7
134.06775	0.3
137.02954	10.7
137.05966	8.3
137.09653	0.5
138.03113	0.6
138.06360	0.3
142.03493	17.7
142.96652	0.5
143.03630	1.6
147.04401	100.0
147.11702	0.5
148.04742	5.6
150.06726	0.6
150.08049	0.2
160.04559	5.9
161.04771	0.5
165.05460	4.6
165.06929	0.6
165.09093	4.7
165.10353	0.4
165.12718	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.091
Annotation	hinokitiol
Peak:m/z	Relative Intensity
51.82891	0.5
53.03942	3.0
55.01866	2.8
55.05503	9.6
57.03431	1.3
65.03934	2.8
67.05498	70.3
68.05836	2.1
69.03427	3.2
69.07069	2.6
70.43712	1.3
75.09041	0.5
77.03907	1.3
77.13687	0.5
79.05483	22.2
80.05835	0.5
81.03421	0.8
81.07047	19.9
82.07388	1.1
82.99859	0.6
83.04979	1.6
91.05466	12.4
92.05804	0.9
93.07028	5.7
95.04961	19.9
95.08596	11.6
96.08991	0.5
101.00861	4.6
103.05444	0.9
104.06260	0.6
105.04527	1.1
105.07030	3.9
107.04946	13.1
107.08593	6.3
109.02887	0.6
109.06509	11.0
109.10145	100.0
110.10471	4.8
111.04429	1.0
117.07004	2.0
119.01913	10.2
119.04958	0.7
119.08574	11.7
120.02000	1.2
120.08076	0.7
120.08885	0.5
121.06465	0.5
121.10202	0.5
122.07256	1.3
123.04430	1.6
123.08074	4.0
129.06961	0.8
132.05685	0.5
133.02820	0.7
133.06473	2.0
135.08011	1.0
136.08849	0.6
136.55257	0.5
137.02995	2.2
137.06032	2.8
137.09602	44.0
138.09018	0.7
138.09959	2.6
142.03477	6.3
142.96655	0.4
143.03612	1.1
147.04381	0.5
147.08044	6.1
160.04549	1.6
165.05464	1.4
165.09091	7.8
165.12743	1.4
166.04868	0.8
167.19978	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0911
Annotation	Phenethyl acetate
Peak:m/z	Relative Intensity
50.58372	0.6
51.02381	0.8
53.03950	2.8
55.01871	4.4
55.05485	0.6
65.03946	1.4
67.05505	1.7
69.03435	0.7
77.03909	0.6
79.05492	19.0
81.03432	0.7
81.07053	2.6
91.05475	5.3
93.03397	1.2
93.07037	1.1
94.04182	2.5
95.04969	3.7
95.08631	0.8
98.69562	0.5
101.00874	0.9
103.05465	12.2
105.03416	0.7
105.04528	1.4
105.07027	100.0
106.07359	5.2
107.04955	1.8
107.08611	0.8
109.02901	1.0
109.06540	4.1
109.10190	0.6
111.04449	0.7
115.05434	1.3
119.01924	2.7
119.04950	2.4
119.08585	2.8
122.03658	5.5
122.07266	0.6
123.04406	0.5
123.08060	1.0
124.05184	3.3
125.06005	0.4
133.06487	74.2
134.06815	3.2
134.07674	0.5
137.05972	78.6
137.09593	1.9
138.06293	3.4
142.03482	2.0
147.04451	3.2
147.08086	0.8
147.11694	0.5
150.06776	1.6
151.07413	0.7
165.05457	1.2
165.09108	18.8
165.12776	0.7
166.09482	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.091
Annotation	Phenethyl acetate
Peak:m/z	Relative Intensity
51.02377	1.8
52.46178	1.1
53.03946	2.1
55.01859	5.8
64.87592	1.2
65.03962	1.9
66.66071	1.3
67.05510	2.7
69.69106	6.6
78.36756	1.3
78.67673	1.3
79.05492	18.3
81.07069	4.4
83.56575	1.2
87.51812	1.1
91.05483	23.3
91.05981	2.2
92.05846	1.2
93.07073	1.3
94.04169	1.6
95.04984	4.1
95.08606	1.3
101.00888	13.0
103.05473	10.3
105.07030	100.0
106.07376	3.6
107.04977	2.0
107.29985	1.3
109.06521	6.7
109.10188	2.1
112.57485	1.4
115.05422	1.8
119.01917	34.4
119.04943	36.5
119.08550	7.1
120.02095	2.5
120.05293	2.9
120.08143	2.4
122.03669	4.9
122.16252	1.4
123.04460	2.5
123.08150	1.5
124.02471	1.4
124.05211	4.3
133.02840	2.2
133.06493	75.1
134.06892	2.6
136.40656	1.3
137.03003	7.6
137.05977	79.3
137.09621	2.7
138.06293	3.4
142.03497	21.0
143.03671	1.9
147.04410	62.6
147.08096	1.7
148.04768	3.8
150.06760	1.8
153.20491	1.3
160.04582	4.7
165.05504	3.1
165.09116	19.2
166.05048	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0912
Annotation	Phenethyl acetate
Peak:m/z	Relative Intensity
50.09581	0.2
53.03956	2.2
53.99780	0.3
55.01875	4.1
56.25879	0.2
60.29384	0.2
60.45402	0.2
65.03934	1.6
67.05502	1.1
69.03436	0.4
69.38376	0.5
69.38795	1.7
70.06624	0.4
77.03934	1.2
79.05495	22.3
80.05827	0.8
80.87285	0.3
81.03416	0.6
81.07054	3.3
82.99862	0.3
83.04968	0.4
91.05480	4.1
93.03410	1.8
93.07080	0.3
94.04181	2.8
95.04965	3.9
95.08601	0.9
96.05331	0.3
101.00887	4.4
103.05468	13.5
104.06310	0.4
105.07032	100.0
106.07357	4.9
107.04932	2.1
107.08586	0.4
109.02896	0.8
109.06516	5.1
109.10152	0.6
111.04444	1.2
115.05455	1.3
119.01919	10.6
119.04980	0.3
119.06084	0.5
119.08555	1.3
120.02011	0.9
121.06500	0.4
121.10172	0.3
122.03642	5.4
122.07301	0.4
123.04456	0.5
123.08079	0.4
124.02460	0.4
124.05206	4.4
125.06034	0.3
131.04901	0.6
132.05737	0.3
133.06491	61.1
134.06837	3.5
135.04420	0.7
137.03087	2.2
137.05978	74.8
137.09592	1.0
138.06310	3.8
142.03513	5.3
143.03590	0.6
144.81981	0.3
147.08015	0.4
147.11761	0.4
150.06787	2.2
151.07574	0.5
160.04555	1.9
161.79953	0.3
165.05417	1.0
165.06937	0.4
165.09109	10.7
165.12791	1.2
166.09464	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.091
Annotation	Phenethyl acetate
Peak:m/z	Relative Intensity
53.03936	2.6
55.01875	3.0
55.05490	0.7
57.33746	0.5
65.03928	2.2
65.87711	0.6
67.05508	4.9
68.49245	0.6
69.03440	0.8
69.09679	5.6
77.03920	1.0
79.05490	20.5
81.03418	1.2
81.07042	3.8
82.99833	2.2
83.55813	0.6
85.46836	0.5
91.05473	7.6
93.03403	0.9
93.07036	1.4
94.04173	1.8
95.04973	4.2
95.08592	1.6
99.88309	0.7
100.02474	1.1
101.00874	25.9
102.00912	2.8
103.05462	10.8
103.06147	0.4
104.06277	0.9
105.07021	69.4
106.07344	4.1
107.04972	2.3
109.02865	0.8
109.06524	4.4
109.10148	3.9
111.04414	1.0
115.05417	0.8
118.04141	4.3
119.01913	100.0
119.04891	3.4
119.08524	3.2
120.01977	7.7
120.08122	0.6
121.06474	1.8
122.03635	4.6
122.07295	1.2
123.04437	0.8
123.08120	0.9
124.02397	3.6
124.05220	2.0
133.02850	1.8
133.06479	48.3
134.06863	1.9
135.04436	2.2
135.08080	0.9
137.02954	32.6
137.05965	49.1
137.09584	6.0
138.03072	2.4
138.06332	1.6
139.81171	0.6
142.03485	56.9
142.96690	2.4
143.03583	5.0
147.04408	2.9
147.08098	0.8
147.11703	0.9
150.06818	4.1
150.07890	0.8
160.04549	18.1
161.04706	1.7
165.05312	3.9
165.06792	0.6
165.09093	15.8
165.10176	0.6
165.12732	5.5
166.04926	0.8
166.08611	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0911
Annotation	Phenethyl acetate
Peak:m/z	Relative Intensity
51.02171	0.5
53.03944	2.2
55.01871	3.8
65.03945	1.7
67.05481	0.7
69.03431	0.6
69.56177	2.8
69.98902	0.5
72.24230	0.6
77.03946	1.2
79.05492	19.0
81.03410	0.7
81.07054	2.3
91.05478	6.2
93.03403	1.2
93.07117	0.7
94.04171	2.6
95.04971	6.3
95.08622	0.9
101.00906	1.7
103.05466	11.4
105.07027	100.0
106.07349	4.7
107.04964	1.4
109.02868	1.6
109.06507	5.4
111.04437	1.4
115.05437	0.8
119.01898	4.7
119.04925	1.8
119.08569	1.2
122.03648	6.7
123.04443	5.4
124.02441	0.9
124.05220	4.9
133.06488	65.5
134.06798	4.0
134.85260	0.6
135.04402	1.1
137.05975	94.6
138.06294	3.5
142.03526	2.4
147.04414	8.3
150.06760	1.9
155.04182	0.6
160.04527	0.7
165.05457	2.4
165.09117	18.7
166.09491	1.5
167.88927	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1274
Annotation	Jasmone
Peak:m/z	Relative Intensity
51.02373	0.9
53.03932	3.0
55.01859	2.9
55.05503	8.8
55.91134	0.8
57.03429	4.3
57.07081	6.3
59.04980	3.2
65.03929	4.1
67.05500	38.6
69.03426	11.6
69.06741	1.3
69.07063	12.8
71.04987	2.0
71.22002	1.0
71.22324	1.3
79.05488	23.2
80.05843	1.1
81.03397	3.1
81.07053	38.1
83.04965	2.4
83.08602	3.8
91.04929	1.4
91.05475	24.5
93.07034	11.8
95.04963	56.2
95.08601	37.3
96.05274	2.0
96.08945	1.7
97.06485	1.6
101.00864	3.9
103.05455	3.7
105.07025	41.0
106.07330	1.4
107.04931	6.4
107.08588	45.6
108.05738	2.3
108.08871	1.8
109.06512	33.5
109.10143	6.4
110.07286	3.9
117.07014	4.6
119.01904	10.6
119.08572	46.3
120.08059	1.1
120.08891	1.4
121.06512	2.5
121.10120	9.8
122.03613	1.1
122.07292	1.7
123.08064	43.9
123.11690	27.6
124.08413	2.4
124.12002	1.7
129.06992	2.8
132.05714	5.4
133.06471	15.9
135.08064	1.0
136.08838	2.0
137.03029	2.0
137.05971	20.4
137.09599	8.9
137.13258	6.6
138.06325	0.9
141.09071	1.3
142.03465	3.4
145.06496	1.3
145.10100	1.4
147.08038	19.2
147.09145	1.8
147.11685	10.1
148.12059	1.0
150.10451	1.1
160.04572	1.9
165.05505	1.6
165.09114	16.4
165.12743	100.0
166.09552	1.2
166.13107	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1274
Annotation	Jasmone
Peak:m/z	Relative Intensity
50.04176	0.7
53.03945	6.5
54.44128	0.7
55.01849	0.7
55.05508	4.5
57.03423	1.2
57.07070	3.3
59.04978	2.3
65.03938	1.4
67.05156	0.6
67.05504	13.4
69.03428	26.1
69.07063	6.5
70.58651	1.3
71.04967	1.0
79.05491	8.1
81.02950	1.1
81.03416	21.7
81.07050	18.4
82.99818	1.0
83.04949	2.8
83.08604	0.9
85.06514	0.8
91.05478	6.9
93.07038	4.6
95.04960	12.9
95.08608	18.1
96.08927	0.7
97.06543	0.9
100.02464	0.8
101.00877	13.8
102.00961	1.0
103.05465	2.0
105.03384	0.8
105.07021	13.5
107.04955	0.8
107.08578	7.1
108.05745	1.1
109.06512	18.0
109.10133	6.0
110.07278	1.8
117.07046	1.6
119.01916	47.2
119.04954	2.6
119.08576	11.5
120.01965	4.7
120.08138	1.0
120.08919	0.8
121.06452	1.3
121.09516	0.6
121.10164	5.9
122.03636	1.7
122.07296	1.3
123.08066	22.2
123.11698	13.9
124.02465	3.4
124.08357	1.0
133.02859	1.6
133.06522	4.4
133.07452	1.1
135.11783	0.8
137.02950	15.9
137.05972	7.5
137.09625	5.7
137.13258	3.4
142.03490	30.4
142.96666	1.0
143.03561	3.8
147.04396	1.7
147.11691	5.6
160.04529	8.8
165.01845	0.7
165.05540	4.2
165.09109	4.7
165.12744	100.0
166.04993	1.0
166.08580	0.8
166.13100	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	165.1274
Annotation	Jasmone
Peak:m/z	Relative Intensity
51.02377	0.8
53.03952	5.0
53.13265	0.5
55.01862	1.3
55.05504	3.9
57.07074	3.5
59.04996	1.4
61.77905	0.5
65.03937	1.3
67.05159	0.9
67.05503	14.6
69.03429	25.5
69.07069	8.7
69.13170	5.1
71.04970	0.5
77.03936	0.7
79.05490	11.0
81.03418	24.0
81.07056	19.6
82.03735	0.7
83.04982	4.3
83.08607	0.7
85.06521	1.2
91.05473	7.7
92.50154	0.5
93.03369	0.5
93.07037	5.9
94.04208	1.2
95.04967	14.6
95.08018	1.2
95.08605	20.6
97.06551	0.7
101.00883	4.1
103.05471	2.3
105.04514	0.6
105.07027	24.0
106.07373	1.7
107.04947	1.2
107.08601	8.9
108.05750	0.9
109.06516	17.8
109.10162	5.8
110.07311	2.6
111.08102	0.8
117.07001	1.2
119.01921	6.8
119.04941	0.7
119.08584	11.7
120.08908	0.9
121.06494	1.6
121.10145	6.6
122.03649	1.0
122.07276	1.6
123.08060	18.3
123.10890	1.0
123.11703	12.9
124.05218	0.8
133.02831	1.0
133.06490	8.3
134.06842	0.7
135.08043	1.0
135.11748	0.7
137.02977	1.0
137.05989	14.8
137.09622	6.5
137.13268	1.9
142.03494	4.0
143.03543	0.6
147.04456	1.5
147.08086	0.7
147.11673	6.4
150.06790	0.5
150.10391	0.7
160.04604	0.9
165.05450	2.5
165.09125	8.9
165.12752	100.0
166.05025	1.4
166.13066	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	166.0863
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
51.02373	0.2
53.03939	0.5
60.05640	0.2
70.06586	1.0
70.81686	0.3
77.03919	0.3
78.04700	0.4
79.05499	2.3
84.13310	0.1
91.05460	1.0
93.07045	2.6
95.04952	0.5
101.00861	0.2
102.00979	0.5
103.00635	0.4
103.05464	12.2
104.05790	0.5
106.04155	0.2
107.04953	2.8
108.05195	0.2
118.06580	0.2
119.01908	0.5
120.02019	1.2
120.08102	100.0
121.01659	1.0
121.06487	0.6
121.07648	0.3
121.08449	4.1
122.03656	0.2
123.04444	1.0
124.05180	0.2
131.04929	2.4
135.04387	0.5
138.03079	0.3
143.03664	0.9
144.03227	0.3
149.05966	1.0
151.03862	0.2
152.04640	0.3
155.04619	0.2
161.04732	0.2
166.08633	1.2
167.07030	3.2
167.08340	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0702
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
51.02377	0.3
52.03151	0.3
53.03944	1.5
55.01867	0.5
55.43873	0.2
65.03933	0.6
66.04706	1.1
67.05498	0.8
69.65933	1.1
72.91704	0.2
74.40741	0.2
77.03922	0.5
78.04706	18.5
79.05040	0.6
79.05482	5.4
80.76549	0.2
81.03412	0.7
81.07057	1.0
83.04975	0.3
84.96024	1.6
85.02885	0.3
91.05476	0.9
92.02633	0.2
93.02834	0.2
93.03398	0.9
93.07051	0.5
94.04188	1.4
95.04964	2.6
96.05743	1.2
98.98535	0.3
102.97049	0.3
103.00613	0.9
105.03400	1.6
105.04528	0.6
106.04167	6.8
107.04964	3.3
107.08575	0.4
108.04543	0.2
109.02873	1.9
109.06497	0.5
110.03640	0.3
111.04449	0.4
111.08045	0.5
120.02070	0.4
121.01659	5.2
121.02531	0.3
121.02941	0.3
121.06477	0.5
121.10178	0.2
122.03645	1.4
123.04420	31.7
124.05241	9.2
125.06027	0.3
126.02219	0.3
134.03632	1.7
135.04468	0.9
137.02306	0.7
137.05949	1.1
138.03070	0.4
139.02669	1.9
139.07527	0.4
143.96709	0.2
144.03226	3.3
149.02315	0.5
149.07080	0.3
150.03070	0.2
151.03886	5.6
152.04677	6.6
153.05005	0.3
162.04305	1.1
165.05461	0.4
167.07022	100.0
168.04195	0.9
168.07388	5.4
168.10036	0.2
171.74376	0.2
189.77704	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0704
Annotation	Apocynin
Peak:m/z	Relative Intensity
51.02385	0.4
53.03944	1.6
55.01860	0.9
55.05511	3.4
57.03431	0.8
57.07076	0.5
63.80095	0.3
65.03933	0.7
66.04718	1.3
67.05500	1.8
68.02622	0.3
69.03432	1.3
69.07061	1.1
69.23881	1.4
69.24301	0.9
71.04974	0.4
77.03927	0.7
78.04710	15.5
79.05055	0.6
79.05487	6.8
80.05777	0.4
81.03400	1.2
81.07066	2.6
83.04984	4.0
83.08605	1.2
83.45230	0.3
85.06502	0.3
91.05486	2.5
93.03397	0.8
93.07047	7.8
94.04186	1.1
95.04967	3.1
95.08588	1.4
96.05754	1.2
97.06530	1.6
97.10152	0.3
105.03426	1.5
105.04519	0.5
105.07009	0.9
106.04174	6.8
107.04353	0.3
107.04972	3.3
107.08595	2.4
109.02874	1.5
109.06508	2.3
109.10149	0.8
111.08072	2.5
120.02075	0.5
121.02859	0.8
121.06487	0.9
121.10147	4.6
122.03641	1.9
122.10438	0.3
123.04431	27.0
123.08060	1.0
123.11686	0.5
124.05253	7.6
125.09612	0.5
131.08528	0.6
134.03661	1.7
135.04424	1.7
137.02345	0.6
137.05969	1.2
139.07587	0.3
139.11145	0.5
147.60814	0.3
149.05942	0.8
149.09593	2.1
149.13225	0.3
151.03906	5.8
152.04672	5.6
153.31773	0.3
167.07034	100.0
167.10687	1.7
167.14291	1.3
168.04210	0.6
168.07368	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	167.0702
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
50.01588	0.2
52.03162	0.4
53.03941	1.0
55.01849	0.2
56.86755	0.3
63.02330	0.2
65.03919	0.5
66.04725	1.2
66.05024	0.2
67.05500	0.6
69.05641	1.0
69.06069	1.2
69.17819	0.2
77.03920	0.3
78.04707	17.0
79.05040	0.7
79.05479	4.3
81.03404	0.8
81.07043	0.8
82.04209	0.3
83.04949	0.3
88.62865	0.2
91.05462	0.6
93.03395	0.7
93.07047	0.4
94.04188	0.9
95.04977	2.3
96.05742	1.4
99.47949	0.3
105.03391	1.3
105.04510	0.5
106.04166	8.5
107.04984	3.2
107.08557	0.3
109.02856	1.6
109.06514	0.6
110.03668	0.3
111.08044	0.4
120.02047	0.6
121.02883	0.5
121.06493	0.4
122.03638	1.8
123.04422	27.9
124.05246	7.1
134.03615	2.0
135.04382	1.0
137.02304	0.6
137.05037	0.2
137.05899	1.3
139.07495	0.4
149.02290	0.3
151.03889	5.8
152.04678	5.8
163.34689	0.2
165.05452	0.3
167.07025	100.0
168.04182	0.4
168.07359	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	167.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.4
52.99809	0.2
53.03942	1.3
55.01870	0.3
63.97256	0.2
64.10774	0.2
65.03931	0.7
66.04718	1.3
67.05500	0.8
68.99804	0.2
70.28080	0.2
72.74024	0.2
76.03127	0.2
77.03931	0.7
78.04707	15.8
79.05072	0.4
79.05490	5.6
81.03411	0.7
81.07061	1.2
85.02924	0.5
91.05477	0.6
93.03387	0.8
94.04211	1.3
95.04964	2.8
96.05756	1.2
105.03391	1.0
105.04501	0.6
106.04169	8.0
107.04347	0.2
107.04970	2.5
109.02874	1.8
109.06522	0.6
110.03689	0.3
111.08064	0.5
120.02063	0.6
121.01650	0.4
121.02880	0.4
121.10110	0.2
122.03632	1.9
123.04424	27.8
124.05238	8.6
125.05505	0.4
134.03627	1.8
135.04402	0.9
137.02344	0.4
137.05984	1.0
138.03154	0.4
139.07536	1.4
149.02313	0.4
150.03116	0.5
151.03903	5.8
152.04681	5.5
167.07027	100.0
168.04178	0.6
168.07364	5.4
168.08710	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0702
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
50.42769	0.4
51.02358	0.4
52.03154	0.6
53.03938	1.3
58.34116	0.4
65.03931	0.5
66.04704	0.9
67.05494	0.7
69.62483	1.6
77.03895	0.4
78.04710	17.8
79.05054	0.8
79.05486	4.3
81.03381	0.6
81.07045	1.2
88.25993	0.4
90.63227	0.4
91.05471	0.4
93.03381	0.9
94.04157	1.7
95.04975	1.9
96.05733	1.3
96.78580	0.4
105.03383	1.5
105.04450	0.6
106.04169	7.5
107.04977	2.8
109.02879	1.6
109.06519	0.7
113.58424	0.4
119.35587	0.4
120.02092	0.5
121.02802	0.6
122.03657	1.9
123.04421	30.2
124.05248	7.0
134.03596	1.7
135.04399	1.2
137.05942	1.2
137.79416	0.3
138.03127	0.5
149.02403	0.5
150.03142	0.6
151.03896	4.9
152.04691	5.3
167.07028	100.0
168.04149	0.8
168.07368	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	167.0702
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
50.01595	0.3
51.02387	0.6
52.03160	0.5
53.00302	0.3
53.03939	1.6
55.01871	0.2
65.03938	0.4
66.04713	1.2
67.05518	0.4
68.99781	0.4
70.43025	0.6
70.43369	0.2
71.65591	0.2
77.03931	0.8
78.04710	19.2
79.05051	0.6
79.05489	4.2
81.03405	0.7
81.07045	0.8
84.51685	0.2
85.02903	0.5
91.05478	0.4
91.94804	0.2
92.02644	0.4
93.03400	0.7
94.04181	1.2
95.04970	2.6
96.05743	1.2
105.03407	1.5
105.04514	0.7
106.04173	7.7
107.04991	3.5
107.96806	0.2
109.02879	2.0
110.03674	0.3
120.02065	0.6
121.02907	0.4
121.06582	0.2
122.03651	2.3
123.04427	33.8
124.05247	7.8
125.05527	0.4
127.30060	0.2
134.03632	2.1
135.04442	1.1
137.02321	0.8
137.05971	1.3
138.03120	0.6
149.02336	0.4
150.03111	0.5
151.03902	6.9
152.04695	6.5
153.05103	0.3
167.07031	100.0
168.04199	0.5
168.07370	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0702
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
53.03933	1.3
64.03168	0.4
65.03927	0.5
66.04703	0.9
67.05503	0.4
68.99765	0.3
69.03419	0.3
77.03908	0.5
78.04707	16.3
79.05039	0.7
79.05482	4.9
81.03424	0.6
81.07030	0.9
85.02897	0.4
91.05468	0.8
93.03416	0.8
94.04168	1.0
95.04953	2.3
96.05729	1.0
98.23410	0.6
103.00656	0.4
105.03367	1.3
105.04492	0.6
106.04164	7.6
107.04974	3.1
109.02900	1.5
121.01756	0.3
122.03622	1.6
123.04423	30.4
124.05242	7.6
134.03598	1.8
135.04399	1.1
137.02316	0.7
137.05975	1.5
138.03098	0.4
139.07639	0.3
150.03108	0.4
151.03877	6.0
152.04689	6.4
164.95180	0.4
165.05493	0.4
167.07024	100.0
168.04211	0.3
168.07367	5.2
175.33727	0.3
186.49741	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.5
52.03143	0.4
53.03944	2.1
65.03934	0.8
66.04707	1.1
67.05491	0.9
68.80403	0.3
68.99787	0.4
69.36227	0.6
69.36633	1.6
77.03930	0.6
78.04710	17.5
79.05036	0.7
79.05486	5.4
81.03421	0.7
81.07062	0.7
81.83343	0.3
83.04995	0.3
84.96001	0.3
85.02873	0.4
85.67207	0.3
86.30421	0.3
91.05465	1.0
93.03383	1.0
93.07008	0.4
94.04180	1.1
95.04967	2.6
96.05769	1.5
97.06505	0.5
103.00620	0.6
105.03397	1.6
105.04504	0.8
106.03518	0.5
106.04175	8.0
107.04984	3.9
109.02937	1.5
109.06526	0.9
111.08056	0.3
111.48248	0.3
120.02098	0.4
121.01685	1.6
122.03628	1.6
123.04430	31.2
124.05253	8.8
125.05557	0.5
134.03636	1.7
135.04381	1.1
137.02370	0.6
137.05960	0.7
139.07549	1.3
144.03256	1.1
150.03148	0.4
151.03902	5.6
152.04684	6.1
162.04321	0.4
165.05467	0.4
167.07033	100.0
167.87660	0.3
168.04175	0.6
168.07373	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	167.0702
Annotation	Apocynin
Peak:m/z	Relative Intensity
51.02362	0.6
52.03157	0.5
53.03725	0.4
53.03945	4.3
54.36549	0.3
55.01861	0.9
55.05492	0.4
56.18674	0.3
56.46433	0.4
64.03154	0.4
65.03947	1.6
66.04721	2.2
66.15668	0.3
67.01862	0.3
67.05486	0.8
68.02637	0.4
68.22919	0.3
69.99497	0.7
69.99886	0.7
70.50127	0.3
77.03918	0.9
78.04707	21.1
79.05108	1.0
79.05487	24.4
80.05831	0.7
81.03413	1.2
81.07050	3.5
82.04242	0.2
84.96030	0.9
85.02891	0.5
91.05471	2.8
93.03406	0.7
93.07043	0.8
94.04183	2.8
95.04966	6.0
96.05762	1.9
98.23352	0.4
103.00633	1.2
105.03381	2.5
105.04509	2.4
106.04173	8.4
107.04952	26.9
108.05254	1.1
109.02862	1.9
109.06556	1.6
111.08062	0.4
120.02054	0.5
121.01671	3.5
121.02879	0.8
121.06491	1.1
122.03648	4.6
123.04424	34.6
124.05225	13.7
125.06071	2.2
134.03642	2.3
135.04393	1.3
137.02368	0.7
137.05989	2.1
138.03059	0.4
139.02660	0.8
139.07536	0.8
144.03220	1.8
149.02335	0.7
149.06020	0.6
150.03098	0.4
151.03899	6.9
152.04677	9.8
153.05020	0.4
162.04236	0.7
165.05365	0.4
167.07025	100.0
167.24506	0.3
168.04189	0.7
168.07372	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	167.0703
Annotation	Apocynin
Peak:m/z	Relative Intensity
51.02373	0.6
52.03157	0.5
53.03941	3.0
55.01860	0.8
55.05519	0.6
58.70671	0.3
63.24055	0.3
63.25669	0.3
64.03139	0.4
65.03941	0.9
66.04720	1.6
67.05489	1.2
68.99791	0.5
69.03423	0.5
70.69253	0.4
70.69611	0.7
77.03912	0.5
78.04713	16.4
79.05038	0.8
79.05495	12.8
80.05828	0.5
81.03404	0.8
81.07052	2.6
83.04958	0.9
85.02890	0.5
91.05461	1.8
93.03405	0.5
93.07033	1.3
94.04194	1.7
95.04973	4.1
96.05733	1.5
98.36079	0.3
101.06748	0.3
103.05414	0.4
105.03394	1.4
105.04514	0.9
105.07043	0.6
106.03518	0.5
106.04177	7.3
106.07326	0.3
107.04244	0.7
107.04963	13.0
107.08592	1.2
108.05267	0.6
109.02879	1.2
109.06532	1.0
111.04501	0.3
111.08059	0.8
120.02065	0.8
121.01665	0.8
121.02919	0.6
121.06500	1.0
121.10117	0.6
122.03656	2.7
123.04430	30.0
123.08047	0.4
124.05247	10.8
125.06017	0.7
134.03642	1.8
135.04411	1.2
135.06973	0.4
137.02306	0.5
137.05971	1.3
138.03123	0.5
149.05975	1.4
149.09673	0.4
150.03186	0.4
151.03899	5.6
152.04694	7.5
162.04294	0.4
165.05409	0.3
167.07036	100.0
168.04149	0.6
168.07393	4.6
172.35365	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0704
Annotation	Apocynin
Peak:m/z	Relative Intensity
51.02375	0.4
52.03158	0.6
52.94500	0.3
53.03942	1.7
55.01874	0.7
55.05503	0.8
57.03428	0.4
57.65152	0.2
65.03943	0.6
66.04726	1.3
67.05508	1.5
68.99786	0.4
69.03399	0.5
69.07063	1.1
70.26054	0.5
70.26389	0.4
71.05007	0.5
77.03925	0.7
78.04711	18.1
79.05067	0.6
79.05491	8.2
81.03409	0.7
81.07066	2.1
82.04214	0.4
82.04705	0.3
83.04965	0.6
85.02925	0.4
91.05489	2.0
92.02606	0.5
93.03392	0.7
93.07043	4.1
94.04193	1.6
95.04972	3.6
95.08612	1.2
96.05725	1.1
97.06530	0.9
98.23277	0.4
105.03406	1.8
105.04503	1.3
105.07016	1.0
106.04179	8.6
107.04965	5.8
107.08603	2.1
109.02901	2.1
109.06538	1.4
109.43848	0.2
109.49403	0.2
110.03662	0.5
111.08082	0.7
111.20212	0.3
112.86799	0.3
120.02116	0.6
121.01667	0.4
121.06499	0.9
121.10143	2.7
122.03651	2.0
123.04427	31.0
123.08057	0.8
123.11690	0.5
124.05247	8.3
125.05948	0.4
131.08554	0.5
134.03629	1.8
135.04419	1.8
137.02344	0.7
137.05994	1.1
138.03123	0.6
139.07510	0.6
139.11156	0.4
149.05978	0.7
149.09610	1.8
150.03122	0.4
151.03915	6.4
152.04681	6.6
153.04993	0.4
159.66980	0.3
167.07034	100.0
168.04166	0.5
168.07375	4.9
181.13644	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0703
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
50.82035	0.3
51.02363	0.4
51.40876	0.3
53.03939	1.2
65.03923	0.6
66.04711	1.2
67.05498	0.9
69.03394	0.3
77.03924	0.7
78.04710	17.0
79.05062	0.6
79.05486	4.7
81.03407	0.9
81.07048	0.8
84.96041	0.7
86.58874	0.3
89.70481	0.3
91.05434	0.6
93.03394	0.4
93.07031	0.4
94.04173	0.9
95.04964	2.6
96.05754	1.4
100.75988	0.3
103.00600	1.8
105.03399	1.7
105.04567	0.4
106.04171	6.9
107.04977	2.6
109.02861	1.7
109.06503	0.7
120.02039	0.5
121.01664	3.7
121.02906	0.4
121.06525	0.6
122.03650	1.8
123.04427	29.3
124.05247	8.5
125.34799	0.3
134.03625	1.7
135.04428	1.0
137.02338	0.5
137.05983	1.3
138.03151	0.3
139.02725	0.9
139.07504	0.4
141.20833	0.3
144.03227	2.3
149.02354	0.4
149.07054	0.3
151.03903	4.8
152.04681	5.6
162.04308	0.5
165.05646	0.3
167.07030	100.0
168.04189	0.3
168.07384	6.1
173.98918	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0702
Annotation	Apocynin
Peak:m/z	Relative Intensity
51.02365	0.6
52.03156	0.7
53.03933	1.2
53.78298	0.3
55.01855	0.9
55.05496	0.6
57.03437	0.7
63.62139	0.3
65.03936	1.8
66.04716	1.6
67.05505	1.7
68.99772	0.6
69.03419	0.4
69.07042	0.6
70.58290	0.8
71.04985	0.7
77.03879	0.3
78.04709	20.4
79.05066	0.7
79.05487	7.0
81.03403	1.0
81.07060	2.2
83.04956	0.8
84.96001	0.5
91.05480	2.3
93.03389	1.3
93.07041	4.6
94.04169	1.0
95.04977	3.5
95.08577	0.8
96.05732	1.5
97.06524	0.9
103.00623	0.6
105.03392	1.3
105.04504	1.0
105.07018	1.5
106.03503	0.6
106.04171	8.5
107.04976	2.9
107.08592	4.0
109.02861	2.1
109.06499	1.3
110.03640	0.5
111.04424	0.8
111.08063	0.9
120.02058	0.5
121.01679	2.9
121.02863	1.3
121.06501	1.7
121.10136	4.2
122.03644	1.7
123.04425	36.0
123.08094	0.8
123.11788	0.4
124.05238	9.5
125.06028	0.4
125.09597	0.5
131.08553	0.8
134.03613	1.9
135.04410	1.6
137.02303	0.8
137.05957	1.2
139.02737	0.7
139.03870	1.6
139.07550	1.7
139.11145	0.7
144.03201	1.7
149.02348	1.1
149.05003	0.4
149.05972	2.2
149.09627	2.5
150.03012	0.4
151.03883	7.0
152.04691	6.6
153.05090	0.5
167.03391	2.5
167.07028	100.0
168.04129	0.7
168.07408	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	167.0703
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
51.02373	0.4
52.03160	0.3
53.03944	1.2
55.01862	0.3
55.05502	0.3
55.41394	0.2
65.03945	1.1
66.04717	1.2
67.05509	0.7
68.02642	0.3
68.99784	0.3
69.03442	0.2
69.09070	1.8
70.09544	0.2
77.03919	0.5
78.04710	18.6
78.71470	0.2
79.05051	0.5
79.05491	4.5
80.05800	0.2
81.03414	1.0
81.07055	1.1
82.04202	0.2
83.04991	0.3
91.05481	0.7
92.02578	0.2
93.03419	0.7
93.07017	0.2
94.04193	1.1
95.04960	2.5
96.02121	0.2
96.05762	1.5
99.67626	0.2
105.03377	1.6
105.04512	0.8
106.04168	7.4
107.04978	2.9
109.02880	1.5
109.06525	0.5
110.03642	0.3
111.04440	0.4
120.02065	0.4
121.01685	0.3
121.02895	0.5
122.03635	1.9
123.04424	31.4
124.05240	8.1
125.05529	0.3
134.03647	1.8
135.04407	0.8
137.02316	0.5
137.06009	1.0
138.03145	0.4
139.07515	0.2
144.03244	0.3
149.02350	0.3
150.03099	0.6
151.03897	5.8
152.01041	0.3
152.04684	6.2
152.05876	0.4
153.05089	0.2
157.04988	0.5
160.77151	0.2
165.05429	0.3
167.03426	1.9
167.07028	100.0
168.04167	0.7
168.07368	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	167.0703
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
50.42320	0.3
50.75154	0.3
51.02382	0.3
52.03160	0.4
53.03940	1.2
56.55429	0.2
63.02342	0.3
65.03935	0.7
66.04716	1.1
67.05492	0.4
70.63417	0.4
70.63728	0.5
77.03920	0.6
78.04710	17.8
79.05043	0.6
79.05488	4.5
81.03407	0.5
81.07037	0.7
87.18110	0.3
91.05467	0.6
92.02619	0.4
93.03394	0.8
93.07050	0.4
94.04169	1.0
95.04960	2.1
96.05735	1.2
97.06512	0.3
97.14470	0.3
100.22032	0.3
105.03370	1.3
105.04527	0.3
106.04173	8.8
107.05000	2.7
107.08582	0.5
109.02886	1.3
109.06518	0.6
110.03671	0.3
120.02122	0.5
121.02908	0.6
121.06487	0.4
122.03654	2.4
123.04432	29.3
124.05251	7.6
128.22058	0.3
134.03619	2.0
135.04407	0.9
137.02335	0.6
137.05983	1.0
139.07578	0.3
149.02380	0.4
150.03125	0.4
151.03909	5.8
152.04697	5.9
165.05495	0.4
167.07036	100.0
168.04176	0.6
168.07401	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	167.0703
Annotation	Apocynin
Peak:m/z	Relative Intensity
50.01591	0.2
52.03165	0.3
53.03939	2.5
55.01868	1.4
55.05501	0.4
65.03933	0.7
66.04713	0.7
67.05501	1.2
68.99780	0.5
69.03416	0.9
69.07063	0.4
69.20203	1.3
69.20608	0.4
77.03922	0.7
78.04707	7.9
79.05038	0.5
79.05492	10.8
80.05815	0.3
81.03412	0.8
81.07047	2.6
83.04957	0.7
91.05476	8.4
91.06048	0.4
92.05825	0.4
93.03411	0.8
93.07039	12.4
94.04157	0.6
94.07352	0.5
95.04966	3.6
95.08585	0.3
96.05762	0.5
97.06528	1.1
103.00607	0.7
103.05457	0.8
105.03387	0.9
105.04510	1.0
105.07031	0.6
106.04172	3.6
107.04974	2.3
107.08631	1.1
109.02878	0.9
109.06491	0.7
111.04429	1.0
111.08056	0.7
121.01638	1.7
121.02863	0.7
121.06502	9.0
121.10131	0.8
122.03644	0.8
122.06853	0.3
123.04426	15.0
123.08060	0.7
124.05270	3.7
125.05910	0.4
134.03625	0.9
135.04408	0.5
135.60999	0.3
137.02275	0.3
137.06000	0.7
139.02774	0.6
139.03900	1.4
139.07521	0.9
144.03209	1.3
149.02338	1.2
149.05963	3.2
149.09622	0.6
151.03914	2.5
152.04683	2.8
157.65744	0.2
167.07031	100.0
168.04118	0.9
168.07419	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	167.0704
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
50.01601	0.3
51.02376	0.3
52.03164	0.2
53.03944	1.5
55.01874	0.6
55.05505	1.4
56.80053	0.2
57.07085	0.2
59.05005	0.7
65.03949	0.7
66.04710	1.3
67.05505	2.4
69.01998	2.4
69.02335	0.2
69.03436	0.6
69.07072	1.5
71.04996	1.9
73.06561	0.5
77.03939	0.6
77.89545	0.2
78.04713	18.7
79.05060	0.4
79.05489	7.6
81.03416	1.1
81.07058	5.8
83.04992	1.3
83.08632	0.5
85.02900	0.4
85.06562	0.4
91.05477	1.9
92.02638	0.3
93.03418	0.7
93.07048	6.4
94.04198	1.3
94.07359	0.3
95.04970	3.1
95.08598	4.6
95.09203	0.2
96.05758	1.4
96.08926	0.3
97.06522	1.2
99.04518	0.3
105.03400	1.2
105.04511	0.7
105.07023	1.4
106.04176	8.0
107.04970	2.9
107.08596	3.4
108.08867	0.2
109.02888	1.8
109.06519	1.5
109.10162	0.9
111.08056	1.7
113.07089	0.2
119.08552	0.2
120.02076	0.4
121.02895	0.7
121.06523	1.0
121.10149	8.3
122.03644	2.0
122.10462	0.4
123.04431	30.4
123.11695	1.4
124.05243	8.8
125.05968	0.8
125.09576	0.4
131.08606	0.5
134.03622	1.8
135.04427	1.7
137.02356	0.5
137.05980	1.2
138.03123	0.3
139.07574	1.2
139.11182	1.0
149.02339	0.5
149.09651	1.5
149.13269	0.8
150.03099	0.4
151.03905	5.9
152.04695	6.4
153.05054	0.3
165.05490	0.4
167.07036	100.0
167.14320	1.0
168.04213	0.5
168.07368	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1066
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
51.02378	0.7
53.03940	3.6
55.01868	2.6
55.05508	11.5
57.07069	1.6
59.04991	3.2
61.79507	0.4
63.80817	0.5
65.03947	1.6
66.04703	0.8
67.05501	6.0
69.03440	2.7
69.03753	0.4
69.07061	45.8
70.07395	1.1
71.05007	0.8
71.32623	0.8
77.03924	0.8
78.04704	10.9
79.05485	21.7
81.03419	1.5
81.07051	12.3
83.04978	3.4
83.08607	1.7
84.95999	0.5
85.06537	0.4
91.05473	14.7
92.80641	0.5
93.03384	0.8
93.07034	79.5
94.04188	0.7
94.07364	3.1
95.04960	4.8
95.08592	11.8
95.09203	0.8
96.08925	0.5
97.06511	7.0
97.10173	1.2
98.98439	0.4
103.00662	0.8
103.05470	2.7
105.03395	0.7
105.04501	1.9
105.07018	22.2
106.04159	3.4
106.07808	1.6
107.04943	3.1
107.08581	3.3
109.02869	1.5
109.06502	2.0
109.10123	1.1
111.04411	1.6
111.08063	0.9
111.11702	7.0
119.08565	4.4
120.05715	0.7
121.01658	2.2
121.06510	2.0
121.10130	100.0
122.03638	0.9
122.10456	4.5
123.04419	16.0
123.08054	6.0
123.11731	0.5
124.05235	4.8
125.06016	0.6
125.09551	0.5
131.08540	0.8
133.07602	3.0
134.03638	0.8
135.04419	1.0
137.05971	0.8
139.02707	0.8
139.07539	0.9
139.11194	3.1
140.07069	0.5
144.03282	1.3
149.02332	0.9
149.05969	1.9
149.09602	13.4
150.09982	1.1
151.03911	2.4
152.04654	3.8
153.04930	0.4
157.04945	1.2
162.04283	1.0
164.59682	0.4
167.03381	3.4
167.07021	51.4
167.10654	28.0
168.07423	2.6
168.11072	1.1
183.91435	0.5
188.72636	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1065
Annotation	Piquerol A
Peak:m/z	Relative Intensity
51.02370	0.9
52.03135	0.5
53.03939	2.9
53.63289	0.4
55.01868	5.8
55.05506	2.6
57.03421	1.0
60.25155	0.4
65.03941	2.6
66.04718	1.0
67.05499	6.3
68.99779	0.4
69.03407	1.4
69.07053	1.4
69.34440	1.6
69.34845	1.2
71.04977	1.4
77.03924	1.3
77.42735	0.4
78.04707	17.8
79.05486	35.4
80.05828	0.8
81.03410	1.7
81.07050	4.5
82.04121	0.6
83.04974	3.1
83.34844	0.4
84.96059	0.5
85.02875	1.0
91.05476	15.2
92.02559	0.4
92.05839	0.4
93.03378	1.3
93.07036	25.1
94.04162	1.4
94.07375	1.2
95.04959	6.6
95.08601	2.0
96.05734	1.4
97.06513	4.2
103.00650	1.1
103.05431	1.2
105.03389	1.0
105.04502	1.3
105.07022	25.5
106.04170	7.7
106.07349	0.6
107.04958	9.2
107.08584	51.7
108.08929	2.3
109.02860	2.4
109.06496	3.7
109.10148	1.1
111.04417	1.4
111.08072	1.2
116.06228	1.3
119.06052	0.7
119.08562	2.0
120.02081	0.6
121.01654	4.3
121.02868	1.2
121.06499	10.2
121.10130	14.3
122.03636	2.0
122.06036	0.5
122.06844	0.4
122.10468	0.8
123.04419	30.9
123.08048	2.6
124.05234	9.3
125.06051	2.2
125.09612	1.5
129.06972	1.3
131.08551	18.1
131.09552	0.6
132.08870	1.0
133.06447	0.6
134.03624	1.5
135.04393	2.0
136.05226	0.4
137.02303	0.5
137.05954	1.5
137.09599	7.4
138.03098	1.2
139.02756	1.0
139.03870	1.4
139.07544	1.3
139.11165	0.4
144.03188	2.3
149.02353	1.3
149.06000	2.8
149.09602	38.2
150.05371	0.7
150.09967	1.2
151.03896	6.2
152.01030	0.5
152.04677	6.6
153.05475	5.7
157.04970	1.3
162.04291	0.7
167.03362	4.1
167.07021	100.0
167.10667	11.5
167.15450	1.2
168.04097	0.7
168.07401	6.0
168.11116	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71929	0.7
52.85704	0.6
53.03941	3.4
55.01861	1.6
55.05509	10.7
57.03421	1.8
57.07062	2.4
59.05008	2.9
65.03931	1.9
65.40369	0.7
66.04722	1.6
67.05500	18.2
68.99792	0.5
69.03439	1.6
69.06714	0.8
69.07066	14.1
70.81935	1.4
70.82277	0.7
71.04990	19.2
73.06553	9.0
78.04706	17.7
79.05091	0.8
79.05486	20.6
80.05804	0.8
81.03407	1.5
81.07053	24.7
82.07372	1.1
83.04987	3.7
83.08604	4.6
85.06527	2.0
87.08102	1.0
91.05475	8.2
93.03406	0.9
93.07040	26.4
94.04182	1.5
94.07375	1.5
95.04965	5.2
95.08602	51.4
96.05734	2.0
96.08920	2.2
97.06512	4.3
103.05457	1.2
105.03392	1.6
105.04514	1.0
105.07014	5.1
106.04171	7.8
107.04961	9.2
107.08587	27.2
108.08892	1.0
109.02859	1.6
109.06499	2.3
109.10147	14.6
111.04410	0.8
111.08064	3.6
119.08575	1.3
120.02099	0.6
121.06516	1.7
121.10136	19.7
122.03633	2.4
122.10474	1.2
123.04427	32.9
123.08050	6.5
123.11711	4.7
124.05258	8.0
125.09618	2.2
131.08540	1.2
134.03625	1.7
135.04396	2.1
137.05951	1.5
139.03928	0.6
139.07536	1.0
145.06487	0.6
149.05925	0.9
149.09587	2.9
149.13248	13.0
151.03877	6.3
152.04700	7.0
155.06026	0.7
167.07028	100.0
167.10655	5.0
167.14261	4.8
168.04057	0.8
168.07224	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1431
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.00294	0.9
53.03949	4.3
55.01865	1.0
55.05512	13.3
57.03428	1.9
57.07079	3.2
59.05009	3.4
65.03933	2.2
66.04724	1.2
67.05507	23.9
69.03423	2.6
69.07071	15.4
69.50177	3.1
70.07408	0.7
71.04995	24.3
73.06556	11.9
73.90027	0.7
77.03922	1.6
78.04713	16.6
79.05051	1.5
79.05497	23.4
80.05840	1.0
80.06284	0.6
81.03404	1.2
81.07060	29.5
82.07376	0.8
83.04989	4.4
83.08633	5.5
85.06550	1.9
91.05482	8.2
93.03393	0.9
93.07048	34.0
94.04195	1.6
94.07374	0.9
95.04989	4.6
95.08607	68.5
96.05754	1.7
96.08936	2.7
97.06537	4.4
97.10177	0.8
103.05454	0.7
105.03420	1.0
105.04494	1.9
105.07020	4.8
106.04173	7.2
107.04960	7.6
107.08595	34.8
107.99374	0.6
108.08907	1.5
109.02868	2.0
109.06506	2.5
109.10158	16.7
111.08088	4.0
119.53466	0.6
121.02860	0.9
121.06506	1.4
121.10143	17.6
122.03654	2.1
122.10483	0.8
123.04433	27.7
123.08054	5.7
123.11691	5.0
124.05274	7.4
125.06015	1.1
125.09634	2.3
131.08572	1.4
134.03633	1.8
135.04382	1.9
137.02299	0.8
137.05981	1.4
139.11186	1.3
145.06471	0.8
149.09622	2.9
149.13248	15.9
151.03905	5.5
152.04694	7.9
155.06055	1.3
157.69865	0.6
167.07042	100.0
167.10663	3.5
167.14287	7.0
168.04172	0.9
168.07263	5.1
168.14685	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.5
54.78070	0.7
55.01854	1.4
55.05513	11.2
57.03404	0.8
57.07070	1.7
59.04992	2.2
65.03933	1.9
66.04736	1.0
67.05498	13.0
69.03423	2.6
69.07065	8.7
69.34252	1.6
69.34660	3.6
71.04992	12.1
73.06558	5.1
75.52728	0.8
76.79064	0.6
77.03919	1.2
78.04708	19.1
79.05045	1.5
79.05489	16.1
81.03422	1.2
81.07053	17.9
82.05065	0.8
83.01798	0.8
83.04989	4.6
83.08617	3.6
85.02889	0.9
85.06537	2.1
91.05473	5.7
93.03393	1.4
93.07043	17.6
94.04197	1.1
94.07378	1.1
94.53446	0.8
95.04966	3.8
95.08603	33.4
95.09212	1.8
95.16018	0.7
96.08916	1.5
97.06522	2.7
97.10184	1.1
105.03381	1.6
105.04478	0.9
105.07034	3.5
106.04169	9.5
107.04970	4.6
107.08591	21.9
108.08934	1.2
109.02866	1.5
109.06523	3.1
109.10155	7.7
110.03564	0.7
111.08073	3.1
121.10134	11.0
122.03638	1.6
123.04428	30.9
123.08060	1.3
123.11682	2.9
124.05231	9.2
125.09624	2.8
133.22887	0.8
134.03627	1.9
135.04369	2.0
137.05951	1.8
149.09633	2.2
149.13240	7.3
151.03917	4.9
152.04712	5.5
167.07033	100.0
167.10721	2.5
167.14275	3.7
168.07387	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	167.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.8
53.03948	3.1
55.05256	0.8
55.05508	7.5
57.03445	1.1
57.07064	1.7
59.04985	1.8
65.03947	1.2
66.04731	1.3
67.05500	10.3
69.03423	2.0
69.07067	6.7
69.62106	1.1
69.62514	2.6
71.04990	10.1
73.06550	4.5
77.03956	1.2
78.04712	17.5
79.05057	0.8
79.05490	15.3
79.23176	0.7
80.53389	0.6
81.03404	1.0
81.07059	14.1
83.04986	6.1
83.08627	3.3
85.06549	1.2
91.05481	3.7
93.03407	1.6
93.06458	1.1
93.07045	16.6
94.04195	1.6
95.04967	3.9
95.08604	25.7
96.04536	1.3
96.08938	1.1
97.06531	3.5
98.22610	0.8
103.05438	0.8
105.03394	2.2
105.04467	0.8
105.07035	2.9
106.04179	7.5
107.04963	6.4
107.08593	17.5
108.08918	0.7
108.45294	0.6
109.02889	1.7
109.06500	2.8
109.10158	5.4
109.77061	0.6
111.08072	4.6
119.06117	0.6
120.02056	0.6
121.01647	1.3
121.06496	1.8
121.10146	11.5
122.03648	2.0
123.04433	31.8
123.08038	1.6
123.11738	3.3
123.12463	0.7
124.05252	8.7
125.09611	1.8
134.03632	1.9
135.04427	1.9
137.02370	0.7
137.06006	1.8
139.07515	1.3
149.02348	1.2
149.09602	2.4
149.13254	5.7
150.30557	0.6
151.03920	6.4
152.04701	6.8
167.03329	1.9
167.07039	100.0
167.10721	2.7
167.14331	4.3
168.04155	0.8
168.07353	5.1
170.75932	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03138	0.6
53.00303	0.9
53.03941	1.7
55.01873	0.8
55.05507	5.7
57.03431	1.5
57.07067	1.2
57.55429	0.5
59.04983	1.6
59.12182	0.5
65.03933	1.5
66.04722	1.2
67.05165	0.6
67.05508	11.5
69.03432	0.8
69.07066	7.4
70.55311	1.8
71.04629	1.0
71.04990	11.1
71.05367	0.4
73.06553	5.5
77.03915	1.1
78.04709	18.1
79.05038	1.2
79.05486	10.8
81.03392	1.0
81.07051	12.6
83.04979	1.3
83.08607	3.1
87.08131	0.6
87.12835	0.6
91.05476	2.7
93.03426	1.0
93.07040	18.0
94.04179	1.3
95.04977	3.6
95.08605	28.0
96.05746	1.6
96.08950	1.3
97.06512	2.4
105.03384	1.6
105.04520	1.3
105.07009	2.3
106.04166	6.9
107.04981	3.4
107.08590	14.7
108.08935	0.6
109.02814	1.4
109.06507	1.7
109.10155	6.9
111.08067	3.2
121.06497	1.1
121.10139	8.1
122.03611	2.1
123.04425	27.8
123.11712	2.3
124.05258	7.4
125.09627	1.4
134.03607	0.9
135.04417	0.8
137.02287	0.6
137.05984	1.0
139.07536	1.2
149.09618	1.3
149.13254	6.7
151.03883	6.1
152.04672	4.7
167.07034	100.0
167.14311	3.0
168.07375	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	167.1431
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.03948	2.2
55.05513	21.6
57.03426	3.4
57.07067	3.4
59.05005	5.5
65.03924	2.5
65.68327	1.5
66.18378	1.4
67.05502	35.5
67.27681	1.9
69.03432	4.6
69.07069	22.3
70.54241	3.0
70.54605	2.9
71.04992	39.2
73.03152	2.0
73.06544	17.2
78.04715	5.4
79.05494	16.0
81.07054	39.9
82.07411	1.8
83.05000	1.9
83.08616	9.2
83.13445	1.5
85.06554	4.9
90.25146	1.4
91.05496	8.4
93.07044	40.8
93.07610	2.8
94.07345	1.6
95.04984	2.2
95.08604	100.0
96.08955	3.4
97.06528	6.4
99.27206	1.4
103.05527	2.0
105.07018	3.5
106.04217	2.5
107.08592	44.3
108.08874	1.8
109.10160	21.5
111.08095	6.0
121.10155	22.5
122.10505	1.8
123.04471	9.1
123.11741	7.5
124.05213	1.8
125.09645	3.6
149.13266	22.7
152.84459	1.8
167.07034	32.7
167.14337	12.5
168.07445	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	169.086
Annotation	1,3,5-Trimethoxybenzene
Peak:m/z	Relative Intensity
51.55627	0.2
53.03960	0.3
55.01863	0.6
55.05508	1.4
57.03429	0.2
57.07050	0.2
59.05000	0.9
65.03930	0.4
67.05508	7.8
69.03421	0.6
69.07056	0.6
69.24545	1.1
69.24957	0.4
71.01341	0.2
71.04987	1.3
75.25462	0.2
79.05495	0.9
80.06289	0.2
81.03411	0.3
81.07055	0.9
83.01342	1.9
83.04962	0.6
85.02902	0.8
85.06548	1.1
91.05473	0.9
93.03403	0.2
93.07050	1.7
95.04981	0.4
95.08608	16.3
96.08932	0.6
97.06519	0.5
99.03996	0.1
99.04474	1.5
99.08109	0.3
101.02386	0.2
105.07039	1.9
108.05735	0.2
109.06519	0.5
111.04436	0.3
113.05998	0.4
114.95539	0.2
116.84579	0.2
123.08068	5.6
124.08328	0.2
133.06497	0.2
141.09128	1.2
151.07570	0.4
153.05420	0.9
154.06245	6.1
155.06609	0.2
169.08604	100.0
170.08951	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	169.086
Annotation	3-(3,4-Dihydroxyphenyl)-1-propanol
Peak:m/z	Relative Intensity
53.03948	4.3
55.01868	7.7
55.05510	5.1
57.03418	1.6
63.91742	0.5
65.03955	3.6
67.05504	15.1
68.05815	0.6
68.99789	16.8
69.03428	3.7
69.07032	1.2
71.01362	0.6
71.04967	2.3
71.31735	0.8
79.05038	1.1
79.05486	19.9
80.05780	0.9
81.03417	14.9
81.07053	35.3
82.07379	0.8
83.04974	13.6
83.08627	4.0
85.94600	1.0
90.30741	0.5
91.05478	4.5
93.03393	1.7
93.05772	0.7
93.07051	5.1
95.04968	7.6
95.08601	42.7
96.08911	1.1
97.06520	7.6
98.03627	0.7
99.04449	1.1
103.05444	0.6
103.95560	0.6
105.06340	0.9
105.07030	15.8
107.04948	11.2
107.08569	2.7
109.02876	44.5
109.06516	16.6
109.10163	0.8
110.03155	1.0
110.06033	0.8
111.00797	2.7
111.04446	4.2
111.08047	0.6
113.05973	1.6
118.94324	1.1
123.04436	3.0
123.08062	56.8
123.11665	0.8
123.47741	0.6
124.07571	1.1
124.08416	2.4
125.05992	10.7
126.03126	4.5
127.03909	100.0
127.07532	1.6
128.04263	3.1
129.04462	0.7
132.52821	0.6
133.06470	6.4
134.06020	0.6
141.05463	13.1
141.06685	0.7
141.07022	0.6
141.09123	2.0
142.95038	0.6
142.96494	0.6
143.07045	1.4
145.96674	0.8
151.03929	1.5
151.07535	28.3
152.06940	1.0
152.08002	1.4
155.03368	4.1
163.97784	2.2
165.97836	0.7
169.05009	4.3
169.08638	58.7
170.05777	3.1
170.09128	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.086
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50254	0.1
53.03945	0.2
54.50738	0.1
55.01857	0.1
55.05513	1.5
56.22517	0.1
59.04986	0.9
65.03923	0.3
67.05504	8.1
68.05815	0.2
68.99784	0.3
69.03420	0.7
69.07056	0.4
69.34050	1.0
71.01349	0.2
71.04996	1.4
79.05492	0.9
80.06280	0.1
81.03435	0.3
81.07043	0.6
83.01338	1.8
83.05005	0.6
83.08564	0.1
85.02892	0.5
85.06550	1.2
91.05494	0.6
93.07043	1.8
95.04967	0.4
95.08604	15.9
96.08932	0.4
97.06511	0.5
98.22683	0.2
99.04455	1.7
99.08112	0.2
101.02366	0.3
103.05463	0.2
105.07025	1.7
107.08587	0.1
108.05732	0.3
109.06503	0.5
111.04449	0.3
113.02388	0.2
113.06000	0.2
123.04424	0.2
123.08069	5.3
124.08399	0.2
125.05994	0.2
126.03085	0.2
133.06476	0.1
139.03812	0.2
141.05464	0.3
141.09123	1.0
141.89821	0.1
151.07504	0.7
153.05473	1.2
154.06242	7.4
155.06599	0.3
169.08597	100.0
170.08931	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	169.086
Annotation	1,3,5-Trimethoxybenzene
Peak:m/z	Relative Intensity
53.03926	0.3
55.01880	0.3
55.05294	0.1
55.05513	1.4
59.05012	0.9
65.03936	0.3
67.05505	8.3
68.05856	0.2
69.03432	0.7
69.07063	0.4
69.51173	0.1
69.51486	0.9
71.04987	1.3
75.75021	0.1
79.05498	0.8
81.03406	0.3
81.07041	0.5
83.01342	1.7
83.04992	0.7
85.02906	0.8
85.06543	1.3
91.05482	0.5
93.07056	1.8
95.04974	0.6
95.08606	16.3
96.08942	0.6
97.06521	0.7
99.04466	1.5
101.02374	0.4
103.05425	0.1
105.07024	1.6
106.34781	0.2
108.05734	0.4
109.06516	0.5
111.04462	0.2
113.05995	0.2
113.09672	0.2
114.29769	0.1
123.04408	0.2
123.08070	5.5
124.08415	0.3
126.06730	0.2
128.17403	0.2
133.71436	0.1
134.24318	0.1
135.99059	0.1
141.05379	0.1
141.09100	0.8
150.56421	0.1
151.07527	0.4
153.05443	1.0
154.06250	6.4
155.06627	0.3
155.33864	0.1
169.08600	100.0
170.08923	5.0
171.18576	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	169.1223
Annotation	(6E)-8-Hydroxygeranial
Peak:m/z	Relative Intensity
53.03949	4.0
55.01871	2.2
55.05517	14.9
57.03441	16.3
57.07082	7.8
59.04994	6.1
65.03950	4.8
67.05504	30.3
68.99786	4.9
69.03432	4.6
69.07073	17.3
70.07446	1.4
71.04993	44.3
71.30965	2.4
79.05490	19.1
81.03425	5.6
81.07055	100.0
82.07386	2.2
83.05000	8.4
83.08626	4.9
85.02881	2.1
85.06547	7.5
91.05489	5.2
93.03401	3.1
93.07036	8.7
95.04970	11.8
95.08601	18.6
97.02921	2.0
97.06535	14.8
99.04462	4.3
99.08104	3.6
105.07025	9.6
107.08596	25.1
109.02882	11.9
109.06522	15.9
109.10153	33.6
110.03681	2.5
111.00806	7.8
111.04433	7.9
111.08076	11.6
113.06004	3.5
121.10150	3.5
123.04435	8.9
123.08075	6.9
123.11700	61.1
124.07581	2.2
124.12050	3.4
125.05972	4.4
125.09651	5.6
126.03124	9.7
127.03919	26.2
133.10146	7.0
139.11229	8.9
141.05458	21.4
143.46895	1.5
151.03902	5.8
151.07550	4.4
151.11159	16.4
152.07149	1.8
155.03383	38.3
169.05019	16.1
169.07568	27.7
169.08731	2.4
169.12248	11.6
169.32945	1.5
170.05748	26.4
170.08006	2.8
170.09668	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	169.1224
Annotation	8-Hydroxy-p-menth-6-en-2-one
Peak:m/z	Relative Intensity
53.03941	0.3
54.03162	0.1
55.01865	0.4
55.05517	0.9
57.03428	0.5
57.07069	0.4
59.05001	0.1
61.44658	0.1
65.03941	1.1
67.05506	2.0
69.03438	0.6
69.07072	1.0
71.04980	1.0
71.08621	0.1
71.30862	0.2
76.03932	0.1
77.03944	0.1
79.05486	2.3
79.05943	0.1
81.03414	0.3
81.07055	7.2
82.07389	0.3
83.04971	0.5
83.08614	0.3
85.02898	0.1
85.06544	1.1
90.64876	0.1
91.05469	0.4
93.03388	0.5
93.07054	1.2
95.04961	2.7
95.08602	2.7
96.09013	0.1
97.02882	0.1
97.06493	0.7
99.04456	0.4
99.08107	0.2
105.07021	0.8
107.08595	1.3
109.02956	0.6
109.06517	100.0
109.10143	2.8
110.03700	0.1
110.06845	3.9
110.10515	0.1
111.04437	0.8
111.08080	3.1
112.08410	0.2
113.06026	0.3
121.10146	0.4
123.04407	0.5
123.08067	1.3
123.10803	0.1
123.11694	2.1
123.14745	0.1
124.08446	0.1
125.05988	0.5
126.03159	0.3
127.03884	0.2
127.07573	0.2
133.10135	0.5
139.11160	0.2
141.05493	0.7
141.06949	0.2
151.03911	0.4
151.07520	0.6
151.11179	3.1
151.14984	0.1
169.05128	0.7
169.07571	2.3
169.10011	0.3
169.12257	1.2
170.05865	0.2
170.08051	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
55.01869	1.5
55.05513	1.2
56.66002	0.3
64.68454	0.3
65.03930	1.3
65.45734	0.3
67.01864	0.6
67.05504	1.0
68.99786	7.8
69.03429	1.7
70.46439	0.9
70.46787	0.4
71.01328	0.7
71.04997	0.5
72.04511	1.5
79.01852	0.9
79.05479	0.8
80.02630	0.8
81.03413	11.4
81.03882	0.7
81.07052	0.7
83.04965	0.9
84.02123	0.7
85.02908	0.9
89.07157	1.1
91.05487	0.4
92.05003	0.8
93.05777	0.6
93.07043	0.4
95.01329	1.4
96.02110	0.9
96.05342	0.3
96.08139	0.4
96.83463	0.3
97.02901	1.7
97.06564	0.4
99.04456	2.8
107.01308	9.7
107.08569	1.7
109.02872	21.8
110.03720	2.9
110.06059	0.4
111.00769	0.6
111.04442	5.6
112.01582	7.3
120.03147	0.3
123.04497	0.4
125.02348	8.5
125.05882	0.4
125.09611	0.7
126.03120	0.4
127.03909	79.7
128.04262	3.2
128.95126	0.4
134.05934	0.5
135.00780	0.9
135.04437	0.3
135.07959	0.4
137.03450	0.7
138.03110	0.4
139.03891	4.5
140.04692	1.6
141.05429	0.6
142.05769	1.7
143.03381	0.9
152.07056	0.5
153.01823	11.4
153.05458	0.6
153.09073	0.7
155.03380	100.0
156.03719	4.2
170.05736	76.4
170.09445	1.6
171.02924	3.3
171.06075	4.1
171.10069	0.4
171.14946	0.4
184.01762	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0812
Annotation	Pyridoxine
Peak:m/z	Relative Intensity
53.03944	0.4
55.01881	1.4
55.05503	0.3
55.37050	0.3
56.05040	1.0
56.96568	2.0
59.04991	0.7
66.03462	1.1
68.05026	0.5
69.03426	0.4
69.07074	0.3
70.06590	0.6
70.94263	0.5
71.33198	0.2
72.04510	0.7
79.05482	1.4
80.04996	0.4
81.03423	2.2
81.05811	0.7
82.06584	0.5
83.04951	0.3
83.06088	0.3
84.04509	0.7
84.96021	0.5
85.07659	0.8
87.00816	0.3
87.04465	1.3
87.44020	0.3
88.95322	0.3
96.04478	0.4
96.06870	0.9
96.08131	2.0
97.07650	0.3
97.65970	0.3
98.06007	0.3
100.07645	0.3
101.00875	1.4
103.02412	0.4
103.98692	0.2
106.06547	1.4
107.01304	2.5
109.02882	2.7
109.07628	0.8
110.06053	0.5
110.07168	0.3
111.04425	1.0
114.05521	7.8
114.69788	0.2
115.03934	0.6
118.03508	0.5
119.01920	4.4
120.01994	0.6
121.01658	0.5
121.03500	0.3
123.06813	0.9
124.03973	0.3
124.06740	0.5
124.07587	6.5
124.08692	2.4
125.02371	1.6
125.03276	0.3
127.03926	2.5
127.56474	0.3
128.95143	0.3
129.00307	0.3
134.06007	72.0
135.06349	2.7
136.04587	0.3
137.02960	1.0
139.00235	0.5
139.03848	0.6
142.04985	7.6
143.03477	0.4
143.05283	0.4
146.02951	0.3
147.01379	0.8
147.03142	0.5
147.04930	0.4
150.05504	0.3
152.07059	100.0
153.01828	1.7
153.07422	4.0
170.03040	0.7
170.04565	0.4
170.08113	11.8
170.09424	1.1
171.01314	0.5
171.02863	0.8
171.04587	0.3
171.08553	0.4
171.11270	1.7
188.04102	0.4
189.11964	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.1
55.05513	0.5
56.96562	0.2
57.07069	2.4
60.04514	0.2
66.98637	0.1
69.23109	0.6
72.04512	1.4
79.05460	0.1
83.08625	0.4
84.04520	0.1
86.06078	0.8
86.09698	100.0
86.21189	0.1
87.09476	0.1
87.10018	2.7
89.07144	0.8
92.05013	0.1
93.05775	0.1
97.10154	0.1
97.27760	0.1
111.04488	0.1
114.05563	0.1
116.10722	0.9
124.07531	0.2
128.10704	19.2
128.95091	0.1
129.07004	0.1
129.11035	0.8
139.03920	0.1
142.12285	0.4
143.08556	0.1
146.96158	0.1
152.07118	0.1
156.09378	0.1
170.05777	0.1
170.08183	0.1
170.09560	0.4
170.11755	3.0
170.15439	0.1
171.11816	0.2
171.14874	0.5
180.16737	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	171.0288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.4
51.84579	0.6
53.00778	0.7
53.03945	6.6
55.01868	5.2
55.05510	3.8
65.03931	0.7
67.05495	2.0
68.61633	0.7
69.03423	7.0
69.07075	2.7
69.37945	3.1
69.38361	1.6
70.02948	0.8
71.04986	1.2
72.04517	11.2
75.04489	0.8
79.01852	8.4
79.05483	1.0
79.08562	0.6
81.03416	74.5
81.07053	1.1
82.03754	1.2
83.08611	2.5
84.08133	0.8
85.02871	1.1
86.09711	5.8
87.00809	1.3
87.04459	0.7
89.07147	6.7
93.07040	2.4
96.02109	4.3
97.02898	6.4
97.06520	0.8
98.97581	1.0
104.03469	1.8
107.01315	79.9
107.08594	1.4
108.01653	2.8
109.02876	100.0
109.10199	1.1
110.03201	3.4
111.04429	4.2
112.04005	3.3
116.03447	1.2
125.02351	56.9
125.09641	1.2
125.61877	0.7
126.02680	1.3
127.03911	82.2
128.04250	3.0
128.06232	1.2
135.00763	9.4
137.03476	3.2
139.03889	2.3
143.03427	1.6
143.08537	1.5
153.01823	83.1
154.02162	2.5
156.03741	0.9
156.09346	2.3
171.02884	25.4
171.05319	1.2
171.11670	1.7
171.13721	0.7
171.14940	4.7
172.03227	0.9
172.09595	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0287
Annotation	Gallate
Peak:m/z	Relative Intensity
50.21932	0.7
51.02383	0.9
53.03945	4.9
55.01866	5.3
55.05501	2.6
65.03954	1.0
67.05483	2.4
69.03426	5.6
69.19115	0.7
71.33865	1.0
72.04515	9.1
79.01849	9.4
81.03413	75.8
82.03726	2.0
83.04965	1.5
83.08610	1.8
89.07159	5.3
96.02103	3.7
97.02895	5.6
107.01311	87.1
108.01633	2.0
108.76834	0.8
109.02870	100.0
109.10153	1.6
110.03205	2.8
110.05954	0.8
111.04465	6.8
121.85560	0.8
122.87446	0.7
125.02348	60.3
126.02704	1.3
127.03910	81.2
128.04260	3.2
128.06204	3.9
135.00766	9.5
137.03447	3.0
139.03896	4.7
141.06946	4.1
142.07726	0.8
143.03392	2.2
143.08577	4.1
144.08069	1.7
153.01820	87.6
154.02153	3.5
156.03821	1.1
156.09331	14.9
171.02885	25.7
171.07912	1.4
171.09196	17.2
171.11620	9.8
171.14915	3.0
172.09641	0.9
178.56256	0.8
190.17281	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.5
53.03947	6.3
55.01860	4.3
55.05507	6.0
65.03925	2.3
67.05513	1.2
69.03434	5.2
69.20911	2.2
69.21312	6.0
70.43448	1.1
71.04996	1.3
72.04512	16.6
79.01837	11.1
79.05478	1.1
81.03411	74.8
82.03737	1.6
83.08612	4.4
85.02910	1.1
89.07142	11.3
96.02088	4.8
97.02909	5.4
101.61319	1.0
107.01311	78.3
107.08544	1.2
108.01648	2.0
109.02872	100.0
109.10109	1.4
110.03190	2.5
111.04437	7.4
115.05429	1.5
116.98598	1.4
125.02342	56.1
126.02649	1.3
127.03907	78.6
128.04228	3.0
128.06221	9.2
128.07066	1.5
129.06958	1.4
130.96295	1.3
135.00771	7.3
135.02655	1.1
137.03470	3.0
139.03876	7.5
141.06964	4.3
142.07782	1.8
143.08580	9.3
153.01816	82.5
153.06723	1.3
154.02144	3.8
155.05998	2.1
155.08606	1.3
156.03751	1.3
156.09341	16.1
171.02881	26.6
171.07990	4.2
171.09195	4.1
171.11665	9.5
171.14896	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	171.0289
Annotation	Gallate
Peak:m/z	Relative Intensity
51.02367	1.7
53.03950	4.5
55.01870	6.3
55.05513	8.0
55.06888	0.6
57.03427	2.6
57.07088	0.9
59.04989	1.1
62.65266	0.7
63.80478	0.7
65.03953	4.1
67.05505	33.2
69.03425	8.1
69.07062	6.0
69.34497	0.6
71.04994	4.9
71.30701	1.1
72.04510	4.1
73.02904	2.9
73.06554	0.7
79.01854	10.7
79.05044	1.4
79.05494	23.4
81.03417	80.3
81.07055	20.9
82.03758	1.9
83.04976	7.6
83.08609	1.6
85.06520	1.6
86.09637	0.7
87.04494	1.0
89.07163	2.2
89.30990	0.6
91.05476	7.4
93.03421	2.5
93.07048	6.1
95.04952	0.9
95.08601	2.3
96.02107	4.1
97.02898	8.2
97.06538	1.8
97.10163	1.2
99.04428	2.6
102.43836	0.7
105.07027	2.7
107.01319	86.0
107.04964	2.2
107.08594	61.7
108.01661	2.4
108.08934	1.7
109.02879	100.0
109.06519	1.9
109.10152	9.5
110.03218	2.7
111.03672	1.3
111.04443	25.3
111.08064	3.9
115.05434	0.9
117.07030	2.2
119.06048	0.9
123.11684	1.3
125.02356	61.5
125.09645	9.2
126.02673	1.4
127.03916	74.5
128.04254	2.7
128.06232	1.8
135.00781	7.5
135.08051	5.4
135.11678	1.4
137.03435	3.3
139.03879	5.7
141.06934	0.9
141.12791	0.8
143.03430	2.2
143.08577	2.1
153.01828	84.0
153.09105	25.4
153.12743	1.5
154.02177	2.2
156.03699	0.9
156.09381	4.7
164.82564	0.7
171.02898	21.2
171.06178	1.1
171.07932	1.3
171.10172	7.1
171.11679	2.1
171.14958	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0652
Annotation	3,4-Dihydroxyphenylethyleneglycol
Peak:m/z	Relative Intensity
53.03958	0.8
55.01875	2.8
55.05509	2.5
59.91598	0.3
65.03942	29.6
66.04266	0.7
67.05505	2.2
68.02624	0.7
68.99792	9.2
69.03431	2.0
70.71499	0.7
70.71841	0.6
71.01379	0.4
71.05003	0.6
72.90294	0.3
79.01849	0.8
81.03416	4.8
83.01327	0.5
83.04981	13.1
84.05317	0.6
89.07124	0.3
93.03403	13.1
94.03749	0.3
94.73285	0.3
96.02108	1.6
96.88229	0.3
97.02907	1.6
98.97643	0.4
107.01302	0.6
109.02884	1.2
110.03687	0.4
111.04442	91.2
112.04766	2.3
121.02886	1.7
121.03989	9.2
122.04358	0.4
125.02369	0.5
125.63246	0.3
127.03936	1.2
129.68463	0.4
139.03899	100.0
140.04231	4.1
153.01817	0.8
157.05095	0.4
158.28970	0.3
171.06517	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	171.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.4
53.03952	1.1
55.01868	3.4
55.05515	3.5
56.96561	0.5
65.03939	32.4
66.04273	0.7
67.05513	2.8
68.02646	0.6
68.99789	9.9
69.03438	2.1
69.07066	1.2
69.60340	2.2
70.06581	0.5
71.01350	0.9
72.04522	1.2
79.01857	0.7
81.03423	5.3
81.07018	0.5
83.01344	0.6
83.04981	13.0
89.07171	0.8
93.03401	13.5
94.03753	0.6
95.04996	0.4
95.08596	0.6
96.02126	2.0
96.06860	0.5
97.02901	1.9
97.06587	0.4
98.23373	0.4
98.97591	0.6
99.47125	0.3
107.01337	0.7
109.02875	1.3
109.10157	0.8
110.03634	0.4
111.04439	93.3
112.04762	2.9
113.02383	0.4
121.02906	2.1
121.03989	9.9
127.03910	0.7
139.03894	100.0
140.04227	3.9
153.01878	0.6
153.09113	0.4
154.12254	0.6
171.06560	4.3
171.07805	0.7
172.06813	0.4
172.13211	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0651
Annotation	3,4-Dihydroxyphenylethyleneglycol
Peak:m/z	Relative Intensity
51.02374	0.4
53.03944	0.7
55.01858	0.9
55.05508	2.2
65.03935	8.7
66.04256	0.4
67.05490	0.5
68.02646	3.8
68.99788	2.4
69.03421	1.2
70.91307	0.5
70.94234	0.9
72.04513	1.5
79.01432	0.4
79.01853	5.4
79.27398	0.3
81.03396	1.8
83.01334	0.3
83.04974	10.9
83.08599	0.5
84.05281	0.3
85.06526	0.2
88.95288	0.6
89.07148	0.9
93.03392	3.4
95.01285	0.3
96.02087	1.9
97.02872	1.2
98.97574	0.5
101.06003	0.3
106.96383	0.3
107.01302	1.1
109.02872	0.9
110.03656	0.7
111.04431	100.0
112.04760	2.7
113.02367	0.7
116.98632	0.3
121.02921	0.2
121.03098	0.3
121.03980	2.1
125.02335	0.8
125.05954	1.7
126.03120	0.2
127.03894	0.8
130.48528	0.3
139.03883	23.2
140.04323	0.5
141.01898	0.6
143.07045	0.7
148.97321	0.3
153.01805	0.9
153.05449	1.5
156.04149	0.7
157.04982	0.9
171.06526	11.3
171.14871	0.6
172.06847	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0764
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27234	0.3
55.01863	1.7
55.04236	0.4
55.05497	0.5
56.05023	0.3
56.96554	1.1
57.03436	0.5
58.99866	0.3
59.04996	0.4
65.03939	2.4
67.05503	0.4
68.05022	1.0
68.99777	1.5
69.03418	0.6
69.07050	0.5
70.06243	0.4
70.06592	5.0
70.76669	0.7
71.05045	0.3
71.06066	0.4
72.04525	1.4
75.83244	0.3
79.05462	0.4
79.24140	0.3
81.03416	1.1
81.04533	0.8
83.04974	1.1
83.08617	0.5
84.04502	0.3
84.08141	2.9
85.07660	3.0
87.04466	2.9
88.07619	3.4
89.07145	1.0
93.03420	0.7
95.05479	0.5
95.06091	7.6
95.67102	0.3
96.06866	72.8
97.02887	0.5
97.06576	0.7
97.07670	9.1
98.07164	0.3
98.97575	1.6
101.00878	2.5
109.02879	0.5
110.07968	0.3
110.97541	0.8
111.00769	0.7
111.04436	7.3
111.05552	0.4
115.03920	1.2
115.10005	0.3
116.98611	0.8
119.01099	0.5
119.01909	7.4
120.01967	0.4
121.04047	0.6
125.07108	65.0
126.07465	1.5
128.98601	0.7
131.01926	0.6
132.15025	0.3
133.03432	0.4
133.56804	0.3
137.02928	1.7
139.00247	0.8
139.03880	7.8
142.03566	0.5
144.05064	0.3
145.03510	0.4
146.99670	0.7
147.01353	0.6
147.04903	0.3
148.01471	0.3
151.74321	0.3
153.06441	1.7
154.12283	0.3
157.01328	0.3
161.02898	0.5
171.07637	100.0
171.11180	5.4
171.14923	1.8
172.04483	0.3
172.08032	3.7
189.02380	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0765
Annotation	N-Nitrosoguvacoline
Peak:m/z	Relative Intensity
54.03479	0.4
55.01868	1.5
55.05507	1.0
56.96556	0.5
57.03425	0.4
58.06611	0.4
59.04998	0.9
59.49649	0.3
64.11118	0.3
65.03934	1.5
68.05017	0.7
68.99795	0.7
69.03445	0.4
70.06589	2.9
71.30853	0.6
72.04514	1.2
79.05495	0.5
81.03403	0.9
81.04520	0.8
83.04983	0.8
83.08606	0.5
84.08138	2.6
85.07678	2.6
87.04462	3.6
88.07631	2.9
89.07143	1.1
93.03397	0.5
94.24146	0.3
95.06091	8.1
96.06871	66.6
97.02876	0.4
97.06639	0.5
97.07676	8.5
98.07190	0.3
99.04475	0.4
101.00874	1.1
107.01332	0.4
109.02914	0.6
110.97556	0.5
111.00818	0.4
111.03748	0.6
111.04441	5.3
111.09163	0.4
114.46811	0.3
115.03930	1.9
119.01896	2.9
121.03962	0.3
125.07111	62.3
126.07491	1.9
126.10315	0.3
127.03922	0.5
128.98576	0.4
135.05481	0.4
137.02940	1.0
139.00262	0.8
139.03886	5.9
146.99612	0.5
147.01367	0.5
153.01813	0.5
153.06494	1.7
157.01398	0.4
171.07643	100.0
171.11183	4.7
171.14871	1.4
171.83162	0.4
172.08020	3.1
180.98805	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1015
Annotation	Aspinonediol
Peak:m/z	Relative Intensity
53.03942	2.5
55.01869	7.9
55.05508	100.0
56.05843	2.7
57.03415	1.2
57.07079	1.5
59.04994	2.5
67.05518	8.1
69.03424	3.8
69.07058	9.8
69.26091	6.4
71.58753	0.9
72.04516	24.1
73.02911	1.0
79.05491	16.2
81.07044	13.7
83.04958	5.2
83.08611	36.9
83.28036	1.0
84.08949	1.3
89.07146	18.5
91.05457	3.0
93.07054	1.7
97.10162	35.9
98.10487	1.4
98.23315	1.9
107.08587	8.6
110.70888	1.1
125.09629	8.5
128.06192	2.4
129.07007	0.9
141.06929	1.2
143.08545	1.8
156.09370	2.6
171.05496	1.2
171.11629	2.3
171.14925	9.1
172.17038	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1168
Annotation	4,6,8-Trimethylazulene
Peak:m/z	Relative Intensity
53.03947	0.4
55.01872	0.3
55.05513	1.0
57.03445	0.4
61.78378	0.2
65.03944	0.7
67.05511	0.5
67.93450	0.3
68.99806	0.3
69.07061	0.5
69.31368	1.3
69.31779	0.6
69.49129	0.3
71.04990	0.5
72.04511	1.0
79.05488	1.6
81.03423	1.4
81.07050	0.7
83.04996	0.8
89.07142	0.3
91.02713	0.2
91.05491	1.2
93.03391	0.5
93.07045	0.7
95.05002	0.5
97.06544	0.3
98.23259	0.5
103.05443	0.3
105.07036	2.2
107.01311	1.2
107.08604	0.3
109.02865	1.5
111.04455	2.2
115.05447	1.7
117.13627	0.3
122.13986	0.3
125.02365	1.0
125.09677	0.4
127.03906	1.3
127.05386	0.4
128.06221	10.3
128.07166	0.5
129.07014	5.7
130.07741	0.5
131.08551	0.5
139.03909	2.4
141.06985	23.7
142.07825	5.8
143.08565	19.6
144.08913	1.1
145.06483	0.7
153.01833	1.4
153.07056	1.1
154.07771	0.6
155.06059	0.9
155.08556	7.1
156.09341	100.0
157.09679	6.3
161.48608	0.3
166.73906	0.3
169.10121	0.5
171.11685	53.8
172.12038	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	172.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03722	0.4
53.03943	0.4
55.05508	14.8
55.93519	1.3
56.05030	1.7
56.96562	2.9
57.03436	1.2
59.05006	2.3
60.08155	0.7
67.05515	0.8
68.96323	0.5
69.03432	1.7
69.96190	0.9
70.06583	4.7
70.94270	0.9
71.32107	0.5
71.93010	0.7
72.04515	0.7
72.08172	0.3
72.93786	43.2
73.02937	0.3
73.06548	0.7
81.03429	0.4
82.01459	0.8
82.03757	0.8
83.04977	16.5
84.04502	20.1
84.08125	0.5
85.02902	35.0
85.06526	1.0
86.03233	0.9
86.06059	0.4
87.04449	2.7
88.11252	0.4
88.95283	0.7
89.02396	1.6
89.07196	0.4
89.94034	1.6
90.90395	0.5
90.94821	37.0
92.23856	0.4
95.01315	2.9
98.09715	0.5
98.97588	1.6
99.04472	0.9
100.02480	6.4
101.00882	1.3
101.06010	10.8
102.05536	17.2
103.05893	0.4
107.95082	1.3
108.01640	1.2
108.95860	11.0
109.02842	0.5
110.03225	1.5
111.04439	15.7
112.03964	2.3
112.04778	1.2
113.02377	0.6
113.06002	1.4
113.96401	4.1
116.98609	1.1
118.03502	4.8
119.01917	4.7
120.02036	1.2
121.01650	1.3
125.96137	1.2
126.02679	0.8
126.05525	0.3
126.09194	0.4
126.10268	0.8
127.07558	2.2
128.04237	0.8
128.98656	0.4
129.05475	6.0
129.97920	0.7
130.04993	100.0
130.96361	0.9
131.00237	0.3
131.01871	0.8
131.05347	2.5
131.95210	0.5
131.96165	2.0
131.97397	3.9
134.99657	1.6
136.04587	0.8
137.02910	1.8
137.05951	0.6
138.03050	0.6
139.02711	0.5
144.05040	2.2
144.10265	0.6
145.03458	0.4
148.97406	2.7
149.96088	11.5
149.97208	3.0
154.02142	1.1
154.03380	0.3
154.08620	0.4
155.07014	10.4
155.08269	0.7
167.97156	13.5
171.98985	0.8
172.02895	0.6
172.09663	38.8
172.10858	2.3
172.13092	2.3
172.16963	1.3
172.95360	0.6
172.98845	0.5
173.06682	0.9
173.08087	13.6
173.09932	1.4
190.05608	0.4
191.04347	0.5
191.07576	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0961
Annotation	Palutropone
Peak:m/z	Relative Intensity
55.05268	1.1
55.05559	15.6
59.05052	2.9
67.05550	1.7
69.03470	0.5
69.30604	4.8
72.93840	2.6
79.05522	0.8
83.04974	14.6
87.04520	1.5
89.02426	1.2
90.90430	1.8
90.94383	0.6
90.94881	2.3
91.05472	6.0
95.06126	0.7
97.04847	0.5
101.06002	9.9
103.03332	0.7
103.05491	1.4
105.07025	20.4
105.07693	1.3
108.95817	0.9
111.04433	16.5
112.04820	0.9
113.06026	1.6
115.05441	9.6
115.06189	0.7
116.06261	1.1
116.43394	0.6
117.07011	11.4
117.07780	0.9
127.07574	2.2
128.06198	7.3
129.05515	6.1
129.06987	11.7
130.07776	72.3
131.08244	2.5
131.08707	2.6
131.97453	0.9
137.05949	0.6
141.06956	2.1
142.07820	1.0
143.04872	1.2
143.08536	8.3
144.05563	0.6
144.09271	0.7
145.06462	1.9
145.10109	48.5
146.10466	3.2
149.94012	2.2
149.96046	0.8
150.96881	1.1
153.06985	2.4
154.07748	1.1
155.05946	0.9
155.07025	10.5
155.08527	16.4
156.07356	0.6
156.08832	0.7
157.06430	3.2
158.07253	100.0
158.99892	0.8
159.07597	5.9
173.08093	13.8
173.09581	100.0
173.12994	4.1
174.08577	0.8
174.09949	7.5
174.12761	1.5
183.09151	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	173.1173
Annotation	(2E)-9-hydroxynon-2-enoic acid
Peak:m/z	Relative Intensity
50.34629	0.8
53.03946	2.0
55.01869	13.0
55.02118	1.5
55.05511	36.4
57.03430	3.4
57.07071	2.6
59.04997	5.7
65.03939	1.4
67.05502	59.3
68.05853	1.2
69.03432	11.7
69.07072	8.8
70.50749	2.4
70.95857	1.9
71.04991	53.5
71.08624	1.2
71.83795	0.9
72.05339	1.0
72.93774	3.9
79.05489	8.8
81.07052	37.7
82.07392	1.1
83.04980	24.8
83.08615	3.1
84.04495	1.7
85.02901	2.2
85.06534	11.2
87.04465	6.1
89.02409	1.1
90.94835	2.0
91.05479	28.6
92.05839	1.1
93.07041	27.9
94.15681	0.8
95.04971	5.3
95.08602	100.0
96.08952	3.4
97.02915	2.4
97.06506	1.1
97.10153	1.1
99.04469	2.5
99.08101	3.0
101.06014	19.6
101.06654	1.2
102.04705	1.1
103.05463	3.0
105.03398	0.9
105.07047	5.4
107.08604	1.7
109.06564	1.4
109.10152	40.6
110.10519	1.8
111.04435	30.5
111.05174	1.8
111.08073	68.4
111.98466	1.6
112.04787	1.4
112.08423	2.0
113.06008	3.3
114.05531	2.3
115.05458	21.7
116.06248	1.4
117.07018	19.2
118.07333	1.5
119.08571	30.5
120.08926	1.6
125.09610	3.3
127.05445	1.3
127.07559	3.7
127.11205	1.9
128.06238	1.4
129.05501	6.8
129.06998	6.8
130.04160	1.3
130.06683	0.8
130.07784	3.7
131.04886	1.3
131.08563	21.9
131.97415	1.5
132.95853	2.5
137.09610	43.7
138.09944	2.1
143.08563	3.9
144.05722	1.1
144.09338	1.7
145.06482	17.1
145.10133	14.1
150.84134	0.8
150.96907	4.6
155.04916	1.7
155.06009	3.6
155.07045	18.3
155.08537	3.4
155.10657	24.4
155.14317	3.1
155.97391	1.3
156.11050	1.4
158.07315	3.2
158.10913	5.0
159.08044	1.4
166.42024	0.9
173.06009	12.2
173.08116	23.3
173.09634	12.1
173.13245	16.9
173.98346	1.6
174.06442	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	0.6
55.05510	8.6
59.05002	1.5
60.04545	0.6
67.05498	3.2
69.07061	1.2
69.71371	0.4
71.05000	0.9
71.31991	0.9
72.93771	0.5
73.06559	0.5
79.05486	2.4
81.07059	9.2
83.04983	5.6
84.04521	0.6
84.13535	0.4
85.02908	0.5
85.06539	5.5
91.05480	13.5
91.06065	0.7
93.07040	1.7
95.08610	6.5
97.02884	0.8
99.08046	0.7
99.24039	0.5
101.05412	0.7
101.06021	4.9
105.07027	12.5
111.04451	8.1
113.05999	0.9
114.05508	1.4
115.05456	2.4
116.06251	3.8
117.07021	8.5
119.08581	14.5
120.08944	0.8
127.07561	1.5
128.06221	2.3
129.05475	1.7
129.06998	11.0
130.07813	4.0
131.08566	84.5
132.08885	3.8
132.95801	0.6
133.10117	3.4
137.13225	1.4
141.07042	0.8
142.07745	0.9
143.08563	22.9
144.09360	7.4
145.06468	3.0
145.10126	32.3
146.10503	0.9
155.07045	5.4
155.08417	1.0
155.14293	0.8
156.09326	2.3
157.10155	0.8
158.02097	0.6
158.07323	2.6
158.10915	34.2
159.11304	1.6
171.11720	2.8
173.05948	1.8
173.08110	6.1
173.09648	4.7
173.13255	100.0
174.07695	0.9
174.10167	0.8
174.13638	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	173.1325
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
52.62847	0.4
55.05506	6.9
59.04996	1.2
61.82636	0.4
67.05509	3.0
69.03419	0.8
69.08576	4.0
69.08984	0.9
71.08624	0.6
72.93797	0.8
73.73613	0.5
79.05492	1.6
79.48818	0.4
81.07062	4.6
83.04980	6.5
84.04523	0.5
85.06536	1.1
91.05474	11.3
93.07041	1.5
95.08603	1.1
97.02912	0.9
99.51376	0.5
101.06007	4.4
103.05463	1.1
105.07025	11.9
107.54659	0.5
111.04446	7.0
114.05520	0.5
115.05452	3.6
116.06269	2.9
117.07021	7.0
119.08579	14.8
120.08957	0.9
127.07542	0.9
128.06218	2.0
129.05467	1.2
129.06993	10.1
130.07813	2.8
131.08560	81.2
132.08881	3.5
132.95827	0.5
133.10126	2.7
133.29680	0.5
137.13208	0.5
141.06903	0.6
142.07745	1.2
143.07416	1.0
143.08554	23.0
144.09352	9.3
145.06502	2.3
145.10120	30.3
146.10480	1.4
155.04837	0.5
155.05968	0.6
155.07040	3.9
155.08237	0.7
156.09285	2.3
157.10062	0.8
158.07265	1.6
158.10905	33.6
158.37312	0.5
159.11226	1.8
171.11668	2.9
173.05872	1.1
173.08109	5.2
173.09628	3.6
173.13249	100.0
174.06781	1.6
174.13626	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	174.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27177	0.3
55.05500	0.7
56.05853	0.7
57.07071	4.5
57.17276	0.3
57.76892	0.3
60.05649	3.5
61.02925	3.3
61.65164	0.3
69.18313	0.3
70.06216	0.6
70.06591	10.1
70.95856	1.0
71.34007	0.5
72.08135	0.5
72.93782	0.6
73.02921	0.9
73.13361	0.2
83.04971	0.7
84.04556	0.4
84.05314	1.0
86.09705	100.0
87.10023	2.7
89.06031	3.6
91.05477	1.1
91.44603	0.3
92.90042	0.4
98.98465	5.8
101.06013	0.6
105.07040	1.2
111.98545	0.3
112.04782	0.7
112.08717	0.5
114.05534	0.6
115.05465	0.8
116.05746	0.5
116.07062	2.3
117.06994	0.4
118.06535	0.4
119.08558	1.3
128.07071	0.4
130.09735	1.1
131.04919	0.5
131.08612	0.3
131.97456	1.0
132.08086	0.7
132.95824	1.6
133.10124	0.9
146.05986	0.3
146.11748	0.5
147.08131	0.3
147.11646	0.4
149.98541	0.6
150.96889	2.2
151.93861	0.6
155.97389	0.5
156.07388	0.6
158.09233	0.5
160.05202	1.3
173.21523	0.3
173.98531	0.8
174.06519	0.4
174.08473	0.5
174.12621	1.4
174.14888	12.9
175.07521	4.7
175.08833	0.4
175.12059	1.7
175.15016	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1118
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
52.59054	0.6
55.05497	0.7
60.05646	36.4
65.55188	0.5
67.05499	0.6
69.03430	3.3
69.07080	0.6
70.06587	100.0
71.04984	2.6
71.06927	1.9
71.33763	0.6
72.08148	4.2
73.27723	0.5
79.05469	1.3
81.07070	1.2
88.07638	0.7
88.50834	0.5
91.05473	11.2
93.07056	1.3
95.04945	0.7
97.07642	0.9
98.97588	1.7
98.98463	14.2
100.85658	0.5
103.05434	0.9
103.33755	0.5
104.06174	0.6
105.07027	11.8
107.08584	1.3
112.08733	4.0
113.07165	0.7
114.75735	0.5
115.05456	6.6
115.08688	0.9
116.06265	1.7
116.07074	26.9
116.97191	1.6
116.98579	1.1
117.06956	2.6
119.04929	1.1
119.08575	13.5
121.06493	1.3
128.06177	1.5
129.07010	9.0
130.06522	0.7
130.07654	0.8
130.09756	13.0
131.04919	0.9
131.07626	0.8
131.08562	12.3
132.04408	0.8
132.05673	1.8
133.06480	3.4
133.09175	0.6
133.10123	9.5
141.06998	7.8
142.07773	73.6
143.08063	2.9
144.05730	1.0
145.06470	4.1
145.10123	10.6
146.07199	2.2
147.04347	2.2
147.05434	0.6
147.08046	4.8
147.11678	4.6
155.08524	0.5
157.10115	79.0
158.05980	1.0
158.09169	6.6
158.10422	4.7
159.08009	0.9
160.05193	5.7
160.08820	5.9
169.07576	0.9
175.03760	0.8
175.07564	12.0
175.11043	59.7
175.14653	2.4
176.11487	3.3
176.14322	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	175.119
Annotation	L-Arginine
Peak:m/z	Relative Intensity
51.55563	0.3
57.40844	0.3
60.05648	35.1
61.63125	0.3
62.63310	0.3
64.66375	0.3
68.05025	0.3
69.78994	0.6
69.79380	0.7
70.06591	100.0
71.04987	1.8
71.06922	2.0
72.08153	3.9
88.07644	0.6
95.06065	0.3
97.07649	0.8
97.82393	0.3
98.06065	0.5
98.22598	0.3
109.01063	0.3
112.08731	4.0
114.10299	0.4
115.05922	0.4
115.08696	0.8
116.07088	27.1
117.07435	0.6
117.32233	0.3
130.08774	0.6
130.09760	11.5
131.10121	0.3
157.10806	1.5
158.09259	6.6
175.11899	18.7
176.12206	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1189
Annotation	L-Arginine
Peak:m/z	Relative Intensity
60.05646	32.3
68.05013	0.4
70.06587	100.0
70.49241	0.6
71.04984	1.7
71.06911	1.9
72.08148	4.1
72.80155	0.3
88.07608	0.4
94.88654	0.3
95.87788	0.3
97.07643	0.5
98.06052	0.4
112.08730	4.1
113.07097	0.4
114.10310	0.7
115.08685	0.4
116.07087	22.9
117.07465	0.3
130.09747	10.1
141.06564	0.4
157.10814	0.8
158.09235	4.9
175.11896	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	175.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84102	0.3
55.25632	0.3
56.17371	0.4
56.33637	0.3
60.05645	32.5
68.61951	0.3
69.33367	2.2
70.06586	100.0
71.04981	1.7
71.06921	1.8
72.08150	3.3
88.07623	0.5
97.07618	0.7
98.06055	0.6
112.08709	3.4
114.10285	0.5
115.08693	0.6
116.07082	25.2
117.07360	0.5
130.09750	12.1
141.06602	0.3
157.10840	0.8
158.09235	6.2
160.44746	0.3
175.11894	15.4
176.12193	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05648	32.7
68.05030	0.5
70.06589	100.0
70.53165	0.9
71.04991	1.5
71.06924	1.8
72.08151	3.5
76.54605	0.3
88.07620	0.6
97.07655	0.8
98.06044	0.8
112.08733	3.2
114.10274	0.5
115.08716	0.9
116.07088	24.0
117.07413	0.6
130.09760	11.2
133.09702	0.3
144.90395	0.4
157.10838	1.4
158.09242	5.5
159.06520	0.3
175.11896	17.1
176.22624	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
51.94573	1.0
55.05518	7.9
65.03948	1.7
67.05496	3.4
69.07068	16.9
70.06570	0.9
75.91135	0.9
79.05480	3.8
81.07061	16.2
83.08614	3.9
91.05480	19.0
92.34312	0.9
93.07045	5.3
95.08630	7.0
98.22598	2.1
98.98466	1.3
99.01067	1.1
103.05488	1.6
105.07035	32.8
105.07738	2.1
107.08595	8.2
115.05481	1.1
117.07026	3.3
119.04951	5.9
119.08582	95.5
120.08903	3.4
121.10123	2.3
131.08556	6.8
133.10130	99.0
134.10449	4.1
140.72714	1.0
142.07773	1.1
145.10115	7.1
146.10793	1.2
147.04398	1.8
147.11684	12.0
148.12134	1.0
159.11681	1.2
160.12460	4.3
173.13228	2.5
175.07574	3.2
175.14824	100.0
176.15125	4.9
179.31265	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.8
55.05510	10.5
57.07053	0.6
60.05653	0.7
61.36163	0.6
62.83015	0.5
63.36252	0.5
65.03953	1.3
67.05498	8.2
69.07067	12.9
70.06596	1.0
70.47483	1.3
70.47857	1.0
77.03926	0.8
78.04301	0.6
79.05491	10.4
81.07054	82.1
82.07392	2.8
83.08623	2.5
84.79939	0.7
91.05478	30.1
92.05809	1.6
93.07036	14.6
93.91640	0.6
94.07411	0.7
95.04972	1.1
95.08601	31.8
96.08937	1.4
98.98457	2.5
103.05466	1.0
105.07027	76.1
106.07326	3.3
107.04984	0.8
107.08585	23.2
108.08930	0.8
109.10162	1.2
115.05503	1.1
117.07018	8.3
119.04942	2.0
119.08575	89.8
120.08863	4.8
121.10143	2.0
129.06987	2.3
131.08554	12.1
131.09459	1.1
132.09424	3.9
133.10124	81.8
134.10469	4.2
142.07730	0.8
145.10124	5.7
146.10873	3.5
147.04410	1.7
147.08057	1.5
147.11685	13.9
148.12000	0.9
157.10146	1.4
160.05209	1.9
160.08784	1.2
160.12448	3.3
173.13277	3.4
175.03923	1.2
175.07536	4.1
175.11290	7.7
175.14816	100.0
176.15172	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	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03952	1.3
55.05508	9.2
57.07057	0.7
60.05663	0.4
65.03935	1.0
67.05505	6.3
69.07068	13.6
70.06593	1.9
70.07402	0.4
70.36750	0.7
70.37090	1.0
77.03926	0.8
78.85535	0.5
79.05489	12.5
81.07056	81.0
82.07389	2.1
83.08613	3.2
91.05479	29.8
92.05807	1.2
93.07044	16.8
94.07378	0.6
95.04958	0.9
95.08607	30.6
96.08935	0.9
98.98479	2.8
103.05471	1.5
103.36311	0.5
105.07030	73.3
106.07359	3.1
107.08594	22.8
108.08929	0.9
109.06496	0.7
109.10153	1.1
110.01717	0.4
115.05457	1.2
117.07024	6.8
118.07767	0.6
119.04939	1.4
119.08579	84.2
120.08857	4.3
121.06474	0.5
121.10173	2.1
129.07004	1.6
131.04955	0.4
131.08563	9.1
132.05699	0.7
132.09366	4.9
133.10127	76.8
134.10422	3.5
142.07773	0.7
145.06488	1.0
145.10103	5.5
146.10898	3.3
147.04407	1.3
147.08022	1.9
147.11681	14.2
148.11993	0.8
157.04100	0.5
157.10132	1.4
159.11638	0.4
160.05167	0.5
160.08862	1.0
160.12465	3.3
173.13269	1.8
175.04001	0.8
175.07552	10.4
175.11296	7.2
175.14818	100.0
175.69089	0.4
176.15172	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	177.0543
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
50.01612	0.3
51.02364	0.3
52.68391	0.3
53.03944	0.8
55.01863	0.5
55.05511	0.6
55.22400	0.3
63.02380	1.4
65.03940	0.7
67.05495	0.6
69.07068	1.3
69.28098	2.4
69.28506	0.6
78.04704	4.1
79.05502	2.2
81.07034	2.0
83.08625	0.7
88.02214	0.5
89.03914	53.9
90.04240	1.5
91.05476	4.4
93.07037	3.2
95.04966	1.1
95.08604	2.3
97.02844	0.4
98.98473	1.0
103.05446	1.8
105.03387	0.6
105.07025	0.5
106.04168	4.6
107.04980	1.0
107.08583	4.0
108.65728	0.3
109.10154	0.6
115.43544	0.3
117.03371	83.6
118.03699	2.7
119.04954	0.5
119.08542	0.4
121.02878	0.5
121.06489	1.4
121.10136	4.3
124.05196	1.1
129.04485	0.6
131.08554	0.8
133.10129	0.5
134.03619	11.3
135.04411	6.7
135.08075	0.5
135.11702	1.4
145.02834	100.0
146.03162	4.2
149.02362	0.9
149.05971	26.8
149.13274	0.7
150.06296	1.2
158.06024	1.5
159.11771	0.4
162.03104	2.0
163.03926	3.0
177.05458	28.6
177.12753	1.6
177.16368	3.4
178.05795	1.1
186.05501	4.0
197.66914	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0545
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03949	1.0
54.51724	0.3
55.01853	0.7
56.96550	0.3
59.83558	0.3
63.02381	1.5
65.03931	0.5
65.66699	0.3
67.05492	0.7
69.07063	0.6
78.04707	3.5
79.05476	2.3
81.07039	1.2
83.08620	0.5
84.09401	0.3
88.02188	0.7
89.03915	51.0
90.04242	1.6
91.05481	4.9
93.07050	3.7
95.04964	1.0
95.08630	1.9
98.98457	1.5
100.94331	0.3
103.05447	1.8
105.03380	0.6
105.04507	0.5
105.07034	0.7
106.04173	4.6
107.04977	0.8
107.08591	3.4
109.10160	0.4
117.03374	88.4
118.03678	2.6
119.04946	1.0
119.08528	0.6
121.06512	1.5
121.10133	3.6
124.05192	1.0
129.04492	0.7
131.04977	0.5
131.08559	1.0
133.10106	1.1
134.03630	10.2
135.04431	6.6
135.08086	0.4
135.11671	1.4
145.02838	100.0
146.03156	4.1
147.04353	0.5
149.05974	25.9
150.06319	1.0
158.05949	2.0
158.99484	0.4
159.11693	0.7
162.03090	1.3
163.03937	1.7
177.05455	24.5
177.08981	0.7
177.12703	2.9
177.16412	1.8
178.05795	1.2
186.05502	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	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03953	1.7
55.05517	1.0
57.25495	0.6
62.01575	0.6
63.02382	1.9
67.05505	0.9
69.07072	2.3
69.20034	3.9
76.27131	0.5
78.04712	4.2
79.05491	1.9
81.07065	1.0
83.08614	1.1
89.03922	59.4
90.04259	2.0
91.05482	6.3
93.07041	3.4
95.04942	1.2
95.08636	2.7
103.05470	2.0
105.07029	1.4
106.04166	3.8
107.04976	0.5
107.08607	6.1
109.10131	1.0
111.32314	0.5
117.03383	84.7
118.03712	3.0
119.08586	0.5
121.06493	0.9
121.10147	7.2
124.05248	1.0
131.08571	1.0
134.03635	13.5
135.04420	7.2
135.11717	1.3
145.02850	100.0
146.03171	2.7
149.05980	27.6
149.13232	0.7
150.06345	1.5
158.05997	1.6
162.03111	3.6
163.03918	3.7
177.05476	27.5
177.09027	1.1
177.12784	1.0
177.16394	3.6
178.05763	1.3
186.05493	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	177.0546
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03947	0.5
55.05516	0.4
58.46135	0.4
63.02383	1.7
69.07069	1.6
69.19047	3.7
70.53053	0.4
77.07893	0.4
78.04700	2.8
79.05479	1.0
81.07065	1.0
83.08627	1.0
89.03916	48.3
90.04259	1.6
91.05484	3.0
93.07029	2.2
95.04985	0.8
95.08610	1.5
98.98439	0.5
103.05466	2.0
105.03396	0.9
106.04173	2.8
107.04968	0.6
107.08582	3.5
109.10181	1.1
117.03377	81.4
118.03704	2.6
119.04955	0.9
121.06514	1.3
121.10148	4.4
124.05196	0.5
129.04478	0.8
131.08543	0.9
134.03630	11.8
135.04410	7.3
135.11691	1.4
145.02844	100.0
146.03189	3.5
147.04433	0.4
149.05977	28.8
150.06340	1.1
158.06024	0.8
162.03119	3.2
163.03922	4.6
177.05470	30.9
177.16403	2.6
178.05823	1.2
186.05548	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	177.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	0.4
51.02385	0.4
52.43333	0.3
53.03944	1.1
55.05516	2.0
58.96997	0.4
63.02354	1.9
65.03947	0.6
67.05495	0.8
69.07072	4.2
71.31627	0.4
71.32018	0.5
77.03922	0.6
78.04711	4.2
79.05495	4.0
81.07052	3.0
83.08613	2.9
88.82715	0.4
89.03917	63.4
90.04274	2.0
91.05477	12.9
92.69981	0.4
93.07047	14.3
95.04981	1.3
95.08597	5.2
97.10175	0.6
103.05479	3.3
105.03422	0.7
105.07026	9.0
106.04168	4.0
106.07420	0.4
107.04993	0.8
107.08599	10.7
109.06530	0.5
109.10148	2.1
115.05453	0.9
116.06264	1.3
117.03378	94.4
118.03695	3.8
118.07788	0.7
119.04940	0.9
119.08586	0.6
121.06509	1.2
121.09261	0.8
121.10142	13.7
124.05223	1.3
129.04506	0.4
129.07013	0.7
131.08572	7.8
133.10104	3.7
134.03632	15.6
135.04424	7.4
135.11668	2.5
145.02844	100.0
145.36478	0.4
146.03180	4.1
149.05978	31.2
149.09644	0.8
149.13297	0.9
150.06345	0.9
158.06018	1.5
159.08057	3.9
162.03131	2.3
162.06760	0.5
163.03896	4.7
169.82861	0.4
175.07532	1.1
177.04195	0.5
177.05478	29.6
177.09094	30.9
177.12706	1.1
177.16379	7.1
178.05746	1.2
178.09485	1.6
186.05502	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	177.0546
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
52.53486	0.5
53.03946	0.7
55.05504	0.7
63.02378	1.6
65.03929	0.6
67.05493	1.0
69.07063	3.0
69.44031	3.1
70.60422	0.5
78.04713	4.5
79.05487	2.2
81.07047	1.9
83.08617	1.9
89.03915	60.0
90.04247	2.1
91.05481	5.1
93.07039	3.6
95.04952	0.9
95.08604	3.0
103.05484	2.5
105.07019	0.9
106.04188	5.0
107.08589	6.8
109.10152	1.0
116.40584	0.4
117.03375	88.6
118.03677	2.9
121.06498	1.3
121.10145	9.7
124.05245	1.0
131.08524	0.7
134.03630	12.5
135.04434	5.8
135.11685	1.5
145.02843	100.0
146.03162	4.5
149.05980	28.3
149.13206	0.7
150.06297	1.1
151.82535	0.5
158.05971	1.3
162.03128	4.2
163.03879	4.0
177.05463	26.2
177.09093	1.8
177.16362	3.9
178.05824	1.2
182.88440	0.5
186.05399	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	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03953	3.3
55.01872	1.6
55.05503	1.6
55.94593	0.5
59.05005	6.6
62.01585	0.6
63.02375	1.3
65.03947	3.9
67.05499	1.9
68.99788	0.8
69.03439	1.4
69.07065	2.4
69.25340	0.5
70.17825	2.0
75.76665	0.6
77.03928	0.8
78.04716	7.5
79.05498	5.7
81.07064	3.9
83.04968	0.7
83.08628	1.3
89.03922	40.2
90.04268	1.2
91.05485	43.6
92.05814	1.6
93.03426	1.8
93.07052	13.5
93.07607	1.2
95.04961	3.1
95.08617	5.1
97.42136	0.6
98.22623	0.6
98.98473	1.7
103.05466	6.8
105.03381	1.4
105.04532	2.0
105.07037	6.2
106.04179	21.8
107.05012	2.9
107.08595	8.9
109.06516	3.3
109.10144	1.8
115.05479	1.5
116.06242	1.1
116.31834	0.6
117.03385	70.4
117.07022	6.9
118.03716	1.8
119.04945	4.2
119.06110	1.6
119.08567	2.9
121.02859	0.9
121.06516	14.1
121.10158	10.1
124.05177	1.0
129.07025	1.1
131.04932	3.9
131.08553	7.0
132.08946	0.6
133.06496	1.4
133.10123	2.0
134.03641	14.0
134.07288	0.7
135.04443	9.5
135.08060	5.5
135.11746	2.7
144.05673	0.8
144.09407	1.4
145.02853	79.7
145.06480	4.2
145.52960	0.6
146.03177	2.8
146.07260	1.1
147.04417	4.8
147.08037	1.2
149.02361	4.0
149.05984	53.9
149.09636	1.8
149.13278	1.7
150.06323	2.3
152.04698	1.6
159.04411	0.9
159.08047	3.1
159.11690	4.8
162.03157	3.3
162.06726	2.3
163.03983	3.0
163.07529	0.6
177.05484	100.0
177.09087	25.5
177.12735	9.7
177.16391	3.8
178.05840	4.3
186.05553	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0546
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
51.02376	0.4
53.03946	0.8
54.50060	0.4
55.01878	0.6
55.05511	2.0
63.02380	1.9
65.03936	0.5
67.05496	2.9
68.42697	0.4
69.07076	4.2
71.31986	0.8
78.04710	4.3
79.05486	4.6
81.07054	5.8
83.08617	1.6
86.40470	0.4
89.03915	59.4
90.04242	1.3
91.05478	9.7
93.07037	9.1
95.04967	1.9
95.08604	5.5
97.06510	0.9
98.98475	2.0
103.05482	3.2
105.03393	0.7
105.04519	0.6
105.07037	3.0
106.04166	5.0
107.04954	1.4
107.08588	8.9
109.06501	0.4
109.10138	1.2
115.05457	0.5
116.06229	0.5
117.03373	84.3
117.07021	3.1
118.03698	2.3
119.04916	1.1
119.08608	1.0
121.06517	2.7
121.09272	0.7
121.10139	11.1
124.05196	1.6
129.07008	0.5
131.04901	1.0
131.08562	4.8
133.10117	2.7
134.03621	12.2
135.04430	8.4
135.08025	0.8
135.11676	2.8
145.02840	100.0
146.03175	4.3
149.02354	0.9
149.05971	31.3
149.09547	0.6
149.13255	1.6
150.06322	1.1
158.06006	1.8
159.04437	0.5
159.08022	1.1
159.11682	3.6
162.03149	2.8
163.03899	4.7
163.07594	0.5
168.29123	0.6
177.05458	31.9
177.08965	3.0
177.12744	9.9
177.16365	5.9
178.05821	1.6
186.05521	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	177.0546
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
51.13984	0.4
53.03945	1.0
55.01863	0.4
55.05516	1.3
57.07080	0.5
59.94126	0.3
62.01600	0.3
63.02383	1.5
65.03935	0.6
67.05498	0.6
69.07079	3.4
69.80111	1.5
77.03947	0.5
78.04713	4.1
79.05505	2.3
81.07068	2.1
83.08632	1.6
89.03918	54.2
90.04261	1.1
91.05486	5.7
93.07050	6.1
95.04989	1.1
95.08611	3.5
98.98476	0.4
103.05472	2.8
105.03385	0.7
105.04536	0.5
105.07033	2.1
106.04183	4.7
107.04977	2.2
107.07928	0.6
107.08599	7.8
109.06506	0.4
109.10150	1.3
115.05442	0.4
117.03378	85.9
117.06991	1.2
118.03698	2.8
119.05009	0.5
119.08540	0.8
121.06473	1.9
121.10143	11.2
124.05219	0.9
131.04915	0.3
131.08586	0.9
133.10129	0.5
134.03635	11.7
135.04445	7.7
135.08017	0.5
135.11703	2.4
144.48311	0.3
145.02847	100.0
146.03166	3.5
147.04433	0.4
149.05981	28.0
149.13275	0.8
150.06326	1.6
158.06042	0.9
159.11661	0.9
162.03133	2.8
162.35179	0.4
163.03908	4.2
163.07559	0.9
164.04187	0.4
177.05472	25.6
177.08916	2.0
177.12756	1.8
177.16373	5.2
178.05946	1.4
178.09880	0.7
186.05511	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	177.091
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene
Peak:m/z	Relative Intensity
53.03940	0.5
55.01859	0.4
65.03928	0.4
67.05505	0.3
69.03414	0.2
71.15379	0.2
71.15710	0.2
78.04707	1.6
79.05073	0.1
79.05484	1.0
81.03419	0.2
89.03918	1.7
91.05480	6.0
92.06283	0.2
93.07036	1.3
95.04971	0.6
95.08624	0.2
98.98462	1.3
103.05455	1.3
105.03368	0.4
105.07034	1.3
106.04178	3.9
106.07792	0.4
107.04939	0.5
107.08583	0.4
109.06493	0.3
115.05452	4.5
116.06244	3.9
116.98539	0.2
117.03378	2.7
117.07020	12.7
118.07347	0.5
119.04943	2.0
119.08603	0.5
120.05723	0.3
121.06501	3.5
121.10124	0.5
121.33157	0.2
122.06680	0.2
129.06975	0.4
131.04912	0.4
131.08565	0.7
132.05650	0.2
133.06488	3.9
134.03638	0.8
134.07285	4.0
135.04370	0.4
135.08064	2.2
135.11635	0.2
144.05696	2.6
145.02840	3.0
145.06496	2.5
146.03590	0.3
146.07220	0.3
147.04420	0.9
147.08037	0.4
149.02321	0.5
149.05975	3.1
149.09627	1.4
149.46803	0.2
159.08009	0.5
159.11687	0.4
161.05956	1.4
162.03169	0.4
162.06755	14.4
163.07086	0.7
175.07550	0.6
177.05582	2.4
177.09097	100.0
178.09441	5.5
187.75266	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.6
55.01863	0.5
55.05504	0.5
59.04998	1.3
63.02371	0.2
65.03931	0.5
67.05508	0.4
68.29938	0.2
69.03413	0.3
69.07045	0.7
71.04975	0.2
77.03951	0.3
78.04712	2.0
79.05490	1.8
80.00780	0.3
81.07058	1.3
82.06433	0.2
89.03915	4.1
91.05476	8.1
91.06055	0.4
92.05795	0.3
93.07035	2.7
95.04940	1.0
95.08590	1.4
96.59660	0.2
98.98477	0.5
103.05487	1.9
105.03382	0.5
105.04457	0.3
105.07035	2.5
106.04175	4.8
106.07838	0.4
107.04942	0.7
107.08597	2.6
109.06507	0.8
109.10115	0.4
115.05441	4.3
116.06234	3.9
117.03378	5.8
117.07014	14.3
118.07355	0.7
119.04913	1.8
119.08571	1.1
121.06503	3.7
121.10138	3.0
129.06996	0.5
131.04944	1.0
131.08566	2.4
132.05629	0.3
133.06480	3.2
133.10123	0.6
134.03642	1.5
134.07275	4.2
135.04416	0.7
135.08076	2.1
135.11699	0.9
144.05688	2.1
144.09413	0.4
145.02831	6.4
145.06490	3.2
146.03568	0.7
146.07222	0.5
147.04404	0.9
147.08032	0.7
149.05969	5.9
149.09599	1.4
149.13266	0.6
159.04445	0.3
159.08047	1.9
159.11717	1.4
161.06003	1.3
162.03134	0.8
162.06758	15.2
163.04039	0.5
163.07082	0.7
175.07538	0.5
177.05759	4.3
177.09100	100.0
177.16321	1.2
178.06129	0.3
178.09442	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	177.091
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene
Peak:m/z	Relative Intensity
51.02369	0.4
53.03947	1.6
55.01863	1.1
55.05507	1.6
56.96566	0.3
57.03426	0.4
57.07065	0.3
61.20442	0.2
65.03922	1.3
67.05505	4.6
69.03407	1.0
69.07051	1.0
71.04993	8.0
71.30540	0.4
77.03967	0.4
78.04719	2.4
79.05483	2.9
81.03418	0.4
81.07057	9.9
83.04969	1.5
85.06540	1.7
85.28639	0.2
89.03915	4.0
90.03428	0.6
90.04257	0.3
91.05476	12.1
92.05796	0.4
93.07043	5.7
95.04992	1.7
95.08611	1.2
97.06511	0.4
98.97601	1.3
98.98465	2.0
99.08073	0.7
101.34405	0.3
103.05464	6.3
104.05789	0.4
105.03392	0.6
105.04496	0.8
105.07026	3.9
106.04173	8.9
106.07856	0.3
107.05003	2.1
107.08591	2.6
108.04484	1.5
109.06522	0.5
115.05457	4.1
116.06245	3.8
116.98603	0.9
117.03374	5.1
117.07018	13.7
118.04188	0.5
118.07360	0.7
118.96815	0.3
119.04939	2.7
119.08593	1.5
121.02835	0.5
121.06508	9.6
121.10115	1.3
123.11713	1.5
129.06992	0.9
131.04924	6.1
131.06906	1.8
131.08553	3.5
132.05338	0.3
133.06496	3.2
133.10135	1.1
134.03639	3.1
134.07286	3.5
134.09657	0.6
134.99712	0.3
135.04453	1.4
135.08046	3.2
135.11684	1.0
141.12723	1.6
141.82729	0.3
144.05672	2.0
144.09335	0.7
145.02846	5.5
145.06491	3.0
146.03644	1.6
146.07236	0.3
147.04385	1.4
147.08064	0.4
148.04788	0.3
149.02379	1.5
149.05975	14.0
149.09618	1.5
149.13210	0.4
150.06331	0.6
159.04398	1.5
159.06499	0.5
159.08011	0.9
159.11690	2.9
161.05974	1.3
162.03116	1.9
162.06755	13.4
163.03888	1.1
163.07112	0.8
164.03331	0.3
174.02724	0.2
175.07564	0.5
177.05591	8.2
177.09100	100.0
177.12485	5.4
178.06139	1.1
178.09470	4.9
178.12128	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.091
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene
Peak:m/z	Relative Intensity
53.03939	0.8
55.01858	0.8
55.05513	1.7
57.03438	0.3
57.07062	0.9
59.04974	0.2
63.02382	0.2
65.03928	0.8
65.04266	0.3
66.18019	0.2
67.05501	5.0
69.03421	0.4
69.07079	1.0
71.04992	5.6
71.08606	0.2
71.30752	0.3
78.04714	1.3
79.05118	0.2
79.05499	3.1
81.03423	0.3
81.07056	12.1
82.07402	0.5
83.04980	0.5
83.08627	0.4
85.06552	2.0
89.03909	2.6
91.05476	7.3
92.05791	0.4
93.03342	0.2
93.07037	3.1
95.04962	0.9
95.08611	2.0
97.06526	1.1
98.97577	0.4
98.98478	0.5
99.08080	0.6
103.05457	2.2
105.03381	0.5
105.04495	0.4
105.07027	3.0
106.04168	4.1
106.07849	0.5
107.04940	0.9
107.08592	2.6
109.06515	0.4
115.05449	4.5
116.06254	3.5
116.98600	0.3
117.03370	3.6
117.07016	14.2
118.07347	0.6
118.87675	0.2
119.04942	1.9
119.08572	1.2
120.05720	0.4
121.06503	5.0
121.08426	0.4
121.10139	2.2
122.07291	0.4
123.08048	0.4
123.11710	1.2
129.07002	0.7
130.06537	0.4
130.07767	0.2
131.04919	1.2
131.06865	2.6
131.08542	1.8
133.04814	0.4
133.06483	3.7
133.10120	1.5
134.03642	1.3
134.07292	4.2
135.04459	0.4
135.08060	4.0
135.11665	0.5
141.12744	2.0
144.05678	2.2
144.09325	0.4
145.02840	3.6
145.06497	2.6
147.04399	0.9
147.07994	0.5
149.02327	0.4
149.05983	3.8
149.09630	2.5
149.13300	0.4
159.04395	0.5
159.06352	0.7
159.08047	0.6
159.11696	1.5
161.05971	1.5
162.03101	0.6
162.06757	15.6
163.03877	0.5
163.07088	0.8
175.07530	0.6
177.05554	3.1
177.09103	100.0
178.06091	0.3
178.09445	4.4
182.69281	0.2
192.17888	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.6
55.01862	0.5
55.05502	0.2
56.96574	0.3
65.03922	0.3
67.05485	0.3
69.03417	0.2
70.51400	0.4
70.56674	0.2
75.19233	0.3
77.03940	0.2
78.04716	1.0
79.05486	1.2
81.07027	0.4
88.02174	0.4
89.03908	2.7
91.05469	6.7
92.08528	0.2
93.07043	1.7
95.04954	0.6
95.08591	1.1
98.98463	2.3
103.05464	1.9
105.03384	0.3
105.04480	0.3
105.07005	2.1
106.04171	2.9
106.07819	0.4
107.04946	0.4
107.08573	0.6
109.06507	0.4
115.05444	4.1
116.06240	4.0
117.03368	3.6
117.07011	13.3
118.07357	0.5
119.04939	1.7
119.08578	1.2
120.45650	0.2
121.06498	4.0
121.10137	0.6
129.06976	0.6
131.04921	0.5
131.08566	1.0
133.06482	3.7
134.03635	1.1
134.07263	5.0
135.04405	0.7
135.08070	2.0
135.11667	0.4
144.05701	1.9
144.09265	0.3
145.02806	3.3
145.06488	2.8
146.03362	0.2
146.07213	0.4
147.04375	0.9
147.08055	0.4
149.02341	0.9
149.05972	10.2
149.07166	0.5
149.09659	1.3
150.06306	0.6
159.08034	0.6
159.11711	1.7
161.05980	1.3
162.03065	0.7
162.06747	15.4
163.07085	0.6
175.07539	0.3
177.05748	4.1
177.09091	100.0
178.09447	5.3
178.15866	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.091
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	0.2
53.03938	0.5
55.01876	0.3
56.52771	0.1
65.03945	0.4
66.04735	0.1
67.05506	0.3
68.99775	0.1
69.03437	0.2
70.06561	0.1
71.32517	0.1
73.85888	0.1
77.03925	0.2
78.04700	1.4
79.05480	0.8
81.07068	0.3
83.04993	0.1
88.02222	0.1
88.04710	0.1
89.03911	2.2
91.05473	6.6
92.05787	0.2
93.03419	0.1
93.07030	1.3
95.04941	0.5
95.08615	0.3
98.98461	1.1
103.05460	1.6
105.03393	0.3
105.04516	0.2
105.07024	1.4
106.04167	4.4
106.07854	0.5
107.04960	0.5
107.08601	0.8
109.06508	0.5
109.10176	0.1
115.05450	4.3
116.06246	3.7
117.03378	3.2
117.07012	12.8
118.07343	0.5
118.96777	0.1
119.04939	1.6
119.08555	0.5
120.05711	0.3
121.06496	3.8
121.10126	0.6
122.06841	0.1
122.50217	0.1
129.07008	0.3
130.07840	0.1
131.04910	0.6
131.08546	0.8
133.06485	3.7
133.10080	0.2
134.03639	0.9
134.07269	4.3
135.04375	0.5
135.08081	2.0
135.11679	0.2
144.05696	2.2
145.02840	3.4
145.06493	2.5
146.03371	0.2
146.07233	0.3
147.04385	1.0
147.08035	0.4
149.02316	0.6
149.05971	3.4
149.09605	1.2
150.06261	0.1
159.08032	0.6
159.11661	0.4
161.05965	1.5
162.03188	0.5
162.06750	14.8
163.03894	0.3
163.07109	0.8
175.07544	0.5
177.05530	3.0
177.09094	100.0
178.06137	0.2
178.09441	5.4
178.15831	0.1
187.78702	0.1
199.02640	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	177.1273
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03950	4.2
55.01870	7.1
55.05515	4.5
55.83928	0.8
56.96540	1.9
57.03433	2.1
59.14018	0.8
65.03931	2.2
67.05502	22.2
69.03412	1.5
69.07071	7.3
71.32590	2.0
71.32976	0.8
77.03871	0.8
78.04722	2.0
79.05036	1.7
79.05492	31.9
79.15895	0.8
81.03400	4.3
81.07056	34.4
82.07383	1.7
83.04974	3.7
83.08630	3.9
85.06526	1.1
88.02205	1.8
89.03913	6.0
91.05477	37.0
92.02589	0.8
93.03403	1.0
93.07042	47.1
94.07366	1.1
95.04971	12.5
95.08596	11.2
97.06538	8.1
98.98454	9.0
103.05461	5.7
105.03384	1.0
105.04503	1.8
105.07027	21.1
106.04167	11.3
107.04940	3.0
107.07908	1.7
107.08593	23.4
109.06514	5.9
109.10130	2.1
111.08060	3.1
115.05450	2.5
117.03386	9.6
117.07016	23.2
118.07311	0.9
119.08578	7.5
121.06504	13.7
121.10146	13.4
123.08047	1.0
129.07021	1.9
130.07837	1.4
131.04900	1.9
131.08566	26.6
132.08911	1.1
133.06558	1.2
133.10129	28.1
134.03609	3.8
134.10501	2.0
135.04448	1.5
135.08052	10.0
135.11678	9.4
136.12080	1.3
144.09322	1.9
145.02838	10.5
145.06407	1.3
149.02324	4.1
149.05969	10.7
149.07037	1.3
149.09613	4.6
149.13263	15.6
157.10077	1.4
159.08028	1.3
159.11687	44.2
160.12019	2.2
162.03111	3.2
162.06754	1.1
163.03903	0.8
172.95251	1.8
177.05446	12.0
177.09116	12.3
177.12733	100.0
177.16313	3.7
178.09845	1.2
178.13174	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	177.1273
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03927	2.3
55.01869	6.9
55.05506	3.7
56.96546	0.6
57.03426	2.0
57.07038	0.6
64.46513	0.5
65.03933	2.3
67.05500	22.7
68.05828	0.9
69.03419	0.9
69.07069	6.2
71.05000	0.5
71.32494	0.8
77.03921	0.5
78.04683	0.9
79.05486	31.0
80.04996	0.6
80.05816	1.3
81.03410	5.0
81.07052	32.9
82.07375	1.5
83.04974	4.0
83.08607	3.0
85.06528	0.9
85.17400	0.4
88.02204	1.2
89.03897	2.3
91.05473	34.6
92.05810	1.4
93.07037	46.0
94.07363	2.1
95.04966	10.3
95.08599	7.5
96.08886	0.5
97.06530	8.9
98.98467	3.7
103.05444	2.4
105.04520	1.1
105.07023	22.1
106.04175	2.5
106.07378	0.8
107.04959	3.2
107.08582	19.6
108.08924	0.8
109.06510	4.9
109.10162	1.1
111.08086	3.7
115.05428	1.6
116.06243	0.8
117.03371	4.1
117.07014	22.4
118.07268	0.6
119.06086	0.6
119.08587	7.0
121.06496	7.1
121.10139	9.6
123.08047	1.0
129.06984	1.2
130.07764	0.7
131.04988	0.7
131.08556	26.1
132.08887	1.1
133.06499	2.4
133.10115	32.3
134.03598	0.9
134.10483	2.0
135.04285	0.4
135.08044	10.9
135.11690	9.0
136.08649	0.5
144.09320	1.7
145.02817	4.2
147.11661	1.0
149.02316	1.4
149.05992	3.8
149.09641	3.8
149.13242	16.0
150.13596	0.9
157.10040	1.2
159.11679	39.4
160.11989	2.6
162.03172	0.8
172.95279	0.8
177.05458	4.4
177.12729	100.0
178.07051	0.5
178.13260	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	177.1274
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
51.02359	1.0
53.03932	3.2
54.36992	0.7
55.01854	2.4
55.05508	9.9
57.03441	0.9
57.07064	0.8
60.65008	0.7
63.02360	1.2
65.03920	2.5
67.05504	10.3
69.03127	0.8
69.03431	10.8
69.07069	7.6
69.23011	1.6
69.23415	5.5
71.04980	1.0
77.03914	1.6
78.04719	3.7
79.05492	15.3
81.07054	19.9
83.04968	1.3
83.08614	0.9
85.06537	1.5
88.02218	1.2
89.03915	26.0
90.04234	1.3
91.05478	27.5
92.19752	0.8
93.07040	33.8
95.04971	19.4
95.08611	7.0
96.05296	1.1
97.06506	3.5
98.33630	0.9
98.98447	2.2
103.05470	9.6
105.04497	0.9
105.07024	16.7
106.04173	10.9
106.07341	0.9
107.04975	7.5
107.08589	41.7
108.08932	1.3
109.06520	8.4
109.10146	2.7
110.80151	0.7
115.05456	3.7
116.06229	1.4
117.03377	42.3
117.07019	14.4
118.03673	1.9
119.04935	3.2
119.08581	10.8
121.02868	0.9
121.06502	49.4
121.10146	21.0
122.06805	1.9
123.08046	3.2
128.06207	1.2
129.07013	3.8
130.07785	2.1
131.04933	8.4
131.08571	17.4
131.09569	0.9
132.05701	0.8
133.06468	2.0
133.10117	11.2
134.03633	8.2
134.07231	0.9
135.04437	4.8
135.08049	100.0
135.11658	8.7
136.08342	4.2
141.87444	0.8
144.09302	5.7
145.02843	50.7
145.06447	2.9
145.07530	1.1
146.03477	3.1
146.07262	5.0
147.04395	1.8
147.08020	3.2
147.11710	1.0
148.08817	1.0
149.02333	1.3
149.05974	29.8
149.09637	5.5
149.13251	15.0
150.06418	1.6
150.13560	1.2
157.10138	1.4
159.04390	2.7
159.08057	2.5
159.10368	1.3
159.11688	27.0
160.07600	3.0
160.12027	1.5
162.03102	4.1
162.06732	3.1
163.03938	2.5
163.07550	1.0
177.05479	29.3
177.09122	36.3
177.12729	64.3
177.16350	2.7
178.06067	1.9
178.09578	2.5
178.13139	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	177.1275
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
50.01621	0.5
53.03945	2.2
55.01868	2.0
55.05517	5.3
65.03939	2.1
66.04713	0.6
67.05508	13.7
68.99783	1.0
69.03426	2.7
69.07066	3.0
70.34116	1.5
71.04991	12.1
78.04733	3.0
79.05490	9.2
81.07058	9.8
83.04977	1.0
85.06532	2.1
89.03905	7.4
91.05478	20.8
92.05817	1.1
93.07050	16.1
95.04974	11.6
95.08608	100.0
96.08945	2.7
97.06535	1.5
98.98457	1.9
103.05474	7.4
105.03398	1.2
105.04584	0.7
105.07032	21.2
105.07741	1.2
106.04178	11.3
106.07303	0.8
107.04964	26.0
107.08601	15.3
107.09200	0.4
109.06515	9.9
109.10167	1.0
115.05444	5.8
116.06247	1.4
117.03380	13.6
117.07023	14.3
118.04196	1.0
118.07312	0.7
119.04900	1.5
119.08578	15.9
121.06512	14.7
121.10145	8.5
123.08080	1.3
129.07011	6.6
130.07777	2.1
131.04944	6.2
131.08569	22.9
132.08917	1.5
133.06519	1.4
133.10124	9.6
134.03659	3.5
134.07283	1.1
135.04388	2.5
135.08061	20.6
135.11685	11.6
142.07848	1.3
144.05727	0.8
144.09346	13.0
145.02858	14.4
145.06520	3.1
146.03647	4.1
146.07277	3.8
147.04358	0.9
147.08049	6.6
148.08742	0.8
149.02307	0.8
149.04861	1.1
149.05983	15.5
149.09641	5.1
149.13266	3.7
157.10104	2.5
159.04427	1.4
159.08076	2.0
159.11696	73.9
160.12053	4.3
161.09662	0.8
161.53020	0.5
162.03125	2.7
162.06732	2.4
162.10289	2.0
163.03923	3.3
163.07552	13.0
170.40889	0.6
176.70882	0.6
177.01875	1.8
177.05489	24.0
177.09113	20.7
177.12747	49.0
177.16315	1.6
178.06300	4.0
178.09892	8.3
178.13089	2.8
192.31073	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	2.3
51.08116	0.9
53.03946	6.6
54.39197	1.0
55.01867	6.6
55.05266	1.5
55.05512	25.3
56.05846	1.9
57.03426	7.4
57.07057	3.6
61.83671	1.0
65.03931	4.0
66.12362	1.1
67.05502	18.8
68.99792	1.1
69.03430	7.9
69.07068	32.7
70.46878	2.6
70.47211	1.3
71.04997	5.4
75.81847	1.2
77.03936	2.2
78.04702	3.5
79.05489	62.7
80.05839	1.5
81.03416	1.9
81.07058	43.5
82.07361	1.1
83.04976	5.2
83.08620	12.6
85.06540	1.3
89.03917	14.2
91.05479	63.4
92.05783	2.5
93.07044	100.0
94.07359	3.3
95.04971	16.6
95.08601	26.4
97.06519	3.1
98.23298	1.4
98.98482	8.0
103.05467	16.2
105.03372	1.6
105.04505	4.8
105.07029	56.2
106.04170	12.2
106.07355	1.4
107.04952	86.0
107.08592	72.6
108.08902	2.4
109.06510	14.8
109.10144	3.7
115.05458	12.6
116.06223	3.6
117.03376	23.0
117.07016	46.0
118.07365	2.1
119.04918	2.6
119.08588	23.0
120.05740	1.8
121.06504	39.7
121.10144	36.8
122.07274	1.5
122.10458	1.9
123.08055	3.1
129.07005	11.2
130.07784	7.3
131.04959	5.6
131.08568	37.4
132.08914	1.8
133.06499	15.0
133.10127	15.8
134.03641	7.1
134.07320	1.5
135.04401	4.5
135.08052	37.3
135.11685	15.5
143.08554	1.7
144.09361	10.7
145.02847	26.5
145.06471	5.8
145.07602	3.0
146.03221	1.5
146.07249	8.6
147.04387	1.6
147.08040	16.7
147.11702	1.3
148.08846	3.0
149.02290	3.2
149.05986	18.5
149.09631	6.9
149.10655	1.3
149.13255	19.8
150.13605	2.2
151.07533	3.5
157.10167	1.3
159.08116	1.4
159.11696	43.3
160.12054	3.3
162.03102	3.3
162.06786	2.7
163.03906	2.3
163.07542	51.0
177.05461	19.3
177.06779	1.9
177.09128	22.3
177.12735	82.7
177.16315	9.2
178.06071	1.6
178.08282	1.7
178.09883	32.1
178.12141	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	177.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86999	0.8
51.02373	1.3
53.03938	2.9
53.06178	0.7
55.01866	1.6
55.05506	9.4
57.07060	0.9
58.66339	0.8
67.05496	5.9
69.03412	1.1
69.07064	32.3
70.07399	1.0
71.32803	1.4
78.04716	1.6
78.29259	0.7
78.74585	0.7
79.05486	17.9
80.05772	0.9
81.07053	13.0
83.08615	15.7
89.03907	9.0
91.05473	45.7
92.05813	1.6
93.07038	43.2
94.07389	1.5
95.04949	2.1
95.08600	39.7
96.08940	1.7
97.10160	2.2
98.98444	2.3
103.05463	5.0
105.07026	24.2
106.04160	1.8
106.07339	1.7
107.04955	4.3
107.08585	96.1
108.08907	3.6
109.06521	1.8
109.10152	12.8
115.05453	7.0
116.06235	12.9
117.02557	1.4
117.03372	18.7
117.07048	5.6
118.07860	1.0
119.06119	0.9
119.08551	4.9
121.06514	5.8
121.10136	100.0
122.10461	3.6
123.04432	6.1
123.08064	1.5
129.06985	7.7
130.04134	1.7
131.04924	8.1
131.08562	56.0
132.08902	3.2
133.06554	1.3
133.07545	1.2
133.10107	8.1
134.03624	2.6
134.10391	1.0
135.04372	2.8
135.08086	3.8
135.11679	19.0
136.05222	2.0
136.67836	0.8
141.06966	2.4
144.05728	7.0
145.02853	20.0
145.06456	3.3
146.03175	1.4
148.05183	2.7
149.03026	1.3
149.05974	13.5
149.09595	2.2
149.13249	7.1
159.08038	23.2
159.11674	3.3
160.08351	1.8
162.03014	1.7
162.06754	4.5
163.03847	1.8
163.07474	1.4
169.07610	2.6
175.07578	2.3
177.05536	9.1
177.09100	85.7
177.12717	10.7
177.16373	57.7
178.07005	5.2
178.09464	5.7
178.16713	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	177.1637
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03942	2.1
55.01881	1.0
55.05508	17.5
57.07072	2.9
65.03934	0.7
67.05500	13.9
69.07063	30.0
69.08330	0.5
70.92804	1.1
71.08653	0.5
77.03911	1.1
79.05487	28.9
80.05830	0.9
81.07052	40.1
82.07394	1.2
83.08612	12.6
83.09097	0.9
85.06541	1.0
89.03919	2.2
91.05474	23.8
92.05795	0.8
93.07039	64.4
94.07384	1.8
95.04977	2.1
95.08600	67.7
96.08952	1.8
97.10163	7.2
98.98447	0.6
103.05452	2.1
104.65936	0.6
105.04543	0.9
105.07027	8.8
107.04944	1.1
107.08588	64.8
108.08934	2.1
109.06506	1.2
109.10146	20.0
110.10509	0.7
115.05460	2.5
116.06241	4.9
117.03362	2.3
117.07026	4.2
119.08578	4.8
121.06483	1.7
121.10135	100.0
122.10483	2.9
123.04420	1.3
123.08058	0.8
123.11716	0.7
129.07019	3.3
130.04121	0.9
131.04945	3.2
131.08563	20.9
132.08900	1.2
133.10124	2.4
135.04350	0.7
135.08054	0.6
135.11690	21.4
136.12033	0.7
141.06958	1.4
144.05742	2.8
144.06714	0.6
144.09383	0.8
145.02875	2.6
145.06487	2.5
148.05176	1.9
149.05957	3.8
149.09612	0.6
149.13251	5.5
150.13574	0.8
159.08023	6.3
159.11705	5.6
162.06747	1.1
162.10437	0.7
166.36299	0.5
169.07660	0.8
177.05408	0.8
177.09113	6.2
177.12805	9.6
177.16371	62.1
178.16708	4.1
187.08858	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1637
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03945	1.3
55.05515	11.4
57.07071	1.9
65.03939	1.1
67.05500	9.1
69.03451	0.7
69.07068	30.1
77.03919	0.8
78.04714	1.3
79.05045	1.5
79.05492	25.5
79.05950	1.5
81.07062	14.4
83.05028	0.7
83.08618	15.9
83.47105	0.8
88.02231	1.2
88.36507	0.7
89.03915	20.7
90.04258	1.0
91.05476	20.0
92.05785	1.0
93.07043	47.8
94.07368	2.2
94.76370	0.9
95.04946	2.5
95.08602	36.6
96.08942	0.8
97.10155	2.1
98.22545	1.9
98.98465	1.8
103.05452	2.4
105.03371	0.8
105.06350	1.6
105.07028	22.0
105.07735	1.2
106.04180	2.0
106.07867	0.8
107.04947	1.7
107.08591	84.5
108.08914	2.7
109.06476	1.4
109.10155	11.0
115.05456	1.4
116.06252	1.9
117.03377	29.6
117.07001	2.0
118.03721	1.6
119.08574	4.4
121.06506	3.8
121.10140	100.0
122.10492	3.1
129.07036	1.2
131.08582	11.4
133.06532	0.8
133.07549	0.9
133.10126	5.3
134.03645	4.1
135.04396	3.4
135.08069	2.0
135.11693	24.3
136.11967	0.9
140.45496	0.8
145.01683	1.7
145.02838	33.6
146.03188	1.9
149.05984	12.0
149.07101	0.7
149.09564	1.8
149.13269	7.5
150.06602	0.9
159.08046	5.4
159.11662	2.6
162.03166	0.9
162.06705	1.1
163.03899	2.8
175.07527	1.3
177.05505	13.7
177.09111	47.7
177.12747	10.9
177.16377	58.9
178.06242	7.0
178.09500	2.4
178.16698	3.2
186.05530	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1638
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
51.94254	0.6
53.03941	1.9
55.01868	1.1
55.05506	12.4
55.89642	0.6
57.07072	1.8
65.03936	1.4
67.05507	7.7
69.03432	0.8
69.04501	4.9
69.04903	1.5
69.07067	28.7
69.47712	0.6
70.07372	0.8
71.08618	1.2
77.03938	0.8
78.04718	1.6
79.05493	17.3
81.07056	32.0
82.07381	0.8
83.08616	16.4
89.03922	10.9
91.05474	17.1
92.05810	0.8
93.07043	44.6
94.07390	1.0
95.04958	2.8
95.08604	32.8
95.40120	0.6
96.08923	1.3
97.10184	3.2
98.22543	1.2
98.98496	1.5
103.05442	4.0
105.04516	0.8
105.07027	12.4
106.04175	4.6
107.04954	2.9
107.08591	71.4
108.08913	2.5
109.06506	1.4
109.10158	13.7
110.22297	0.6
115.05442	1.0
116.06247	0.6
117.03381	17.0
117.07026	4.2
119.04900	1.2
119.06039	1.2
119.08589	5.3
119.69226	0.7
121.06532	5.1
121.10140	100.0
122.10474	2.9
123.08096	1.2
131.04912	2.6
131.08549	2.9
133.07584	1.0
133.10136	2.8
134.03659	2.5
134.10822	0.9
135.08031	0.9
135.11693	21.0
136.12007	0.9
145.01685	1.5
145.02838	24.1
145.06488	2.6
146.03143	1.2
146.07256	3.4
147.08006	0.8
149.02335	1.0
149.05965	9.0
149.09593	1.6
149.13278	6.5
159.08023	0.8
159.11707	1.8
162.03084	1.9
162.06767	1.3
163.03958	0.7
163.07536	1.0
177.05492	10.0
177.09077	11.9
177.12798	3.6
177.16380	39.5
178.09685	1.1
178.13022	0.6
178.16710	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.9
53.03942	3.6
54.00238	0.7
55.01872	2.4
55.05507	14.9
57.07075	1.6
57.21519	0.6
59.87302	0.6
63.02372	1.1
65.03944	2.7
67.05499	10.2
68.14514	0.6
68.99808	1.3
69.03418	0.9
69.07064	29.3
70.07378	0.8
70.14172	1.4
77.03912	0.9
78.04710	3.0
79.05492	23.5
81.03423	0.8
81.07053	35.2
82.07420	1.5
83.08611	13.8
89.03912	20.1
91.05473	25.2
92.05806	1.6
93.03419	1.0
93.07039	52.0
94.07381	1.8
95.04985	4.3
95.08601	34.5
96.08906	0.9
97.10172	3.5
98.98473	1.6
103.05459	10.9
105.04496	2.2
105.07027	43.8
106.04179	7.8
106.07318	1.3
107.04952	27.5
107.08588	68.0
108.08923	2.4
109.06516	1.2
109.10154	14.5
115.05419	5.0
117.03373	30.4
117.07003	10.2
118.03659	1.0
119.04942	2.7
119.06098	1.1
119.08578	9.7
120.05705	1.0
120.08871	1.0
121.06506	14.2
121.10139	100.0
122.10448	4.5
127.21237	0.7
128.72327	0.7
131.04904	4.0
131.08569	4.1
133.06487	1.2
133.10086	4.0
134.03648	7.2
135.04430	3.2
135.08075	5.4
135.10808	0.8
135.11682	21.4
136.11955	0.8
145.02841	33.9
145.06528	5.0
145.07523	0.9
146.03154	1.9
146.07265	2.6
147.04388	1.7
147.08020	4.5
149.02339	1.5
149.05969	17.8
149.09613	0.9
149.13254	5.6
150.06384	1.0
159.08089	0.8
159.11697	7.9
162.03044	2.8
162.06732	2.0
163.03865	2.1
163.07536	16.5
177.05473	18.7
177.09108	19.2
177.12755	16.2
177.16367	36.7
178.05879	1.1
178.09860	10.4
178.16696	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00316	0.4
53.03947	1.8
55.01868	2.2
55.05505	0.9
56.42123	0.4
57.03434	0.6
58.46772	0.4
65.03931	1.5
67.05505	3.1
69.03426	2.5
69.55757	2.1
69.56163	0.8
70.91341	0.4
71.04999	0.7
77.03922	0.8
77.66064	0.4
79.05489	9.2
81.03409	0.7
81.07065	2.7
89.03918	0.8
90.04254	0.5
91.05476	19.5
92.05785	0.9
93.07040	4.3
94.07372	0.7
94.23216	0.4
95.04961	6.3
95.08593	2.7
96.08926	1.0
98.23220	0.5
103.05466	7.0
104.05758	0.8
105.03394	1.6
105.04494	1.0
105.07028	15.0
105.07735	1.0
106.07381	1.0
107.04951	100.0
107.08579	3.5
108.04576	0.4
108.05191	2.5
109.02843	0.5
109.06516	2.8
109.10140	1.0
115.05449	9.6
116.06229	0.6
117.07011	5.1
118.04243	1.0
119.04945	5.3
119.08569	6.0
120.05735	1.1
120.08910	0.6
121.02856	0.8
121.06488	3.4
121.10146	0.8
122.06843	0.7
122.10483	0.5
123.04427	12.0
123.08060	4.2
128.06219	0.6
131.04979	2.1
131.08565	0.8
132.05621	0.8
133.06505	2.8
133.10129	13.7
135.04433	1.0
135.08052	16.1
135.11659	0.6
136.05186	1.7
136.08406	0.8
137.05960	1.9
137.09579	1.8
138.06749	0.9
145.06490	1.0
145.07591	2.4
146.03641	3.5
146.07262	1.9
147.04422	6.2
147.08051	18.3
148.08437	0.9
149.05975	2.0
150.06357	0.9
151.03937	1.7
151.07533	10.9
151.11174	0.7
160.12083	1.0
161.06010	2.2
161.07271	0.6
161.09613	7.7
161.10847	0.8
161.13234	0.8
163.03886	1.7
163.07536	59.6
164.07918	2.3
177.05421	0.6
178.06053	4.4
178.09879	36.7
178.12982	2.2
179.03444	1.3
179.07024	8.5
179.10645	8.1
179.14331	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.4
53.00305	0.5
53.03940	0.9
55.01868	1.9
55.05504	0.8
57.03442	0.7
65.03938	0.7
67.05497	1.8
69.03413	0.5
69.07066	1.4
69.14179	1.7
69.14602	1.7
77.03918	0.6
78.04699	0.5
79.05489	7.9
80.05830	1.0
81.07061	3.4
82.07383	0.6
89.03922	0.8
90.04262	1.0
91.05478	13.8
92.05817	0.9
93.07042	4.3
94.07378	1.5
95.04969	4.4
95.08624	2.3
96.08945	1.0
98.22520	0.7
103.04836	0.7
103.05466	7.0
104.05779	0.5
105.03400	0.4
105.06342	0.8
105.07027	11.7
106.07351	3.6
107.04952	100.0
107.08588	3.5
108.05230	3.0
108.08923	1.6
109.06524	0.8
109.10169	1.3
115.05455	9.5
117.03365	0.7
117.07037	4.1
118.03697	1.1
118.07337	0.5
118.78218	0.4
119.04935	2.2
119.06042	0.4
119.08598	3.0
120.05744	0.7
120.08920	0.5
121.06503	2.1
121.10132	1.9
121.34300	0.4
122.06860	0.7
122.10437	2.4
123.04430	0.9
123.08024	1.0
123.11633	0.6
131.04915	1.5
132.05695	0.7
133.06516	2.4
133.10109	2.6
135.04411	0.6
135.08055	12.8
135.11647	1.0
136.05135	1.4
136.08403	0.7
136.12013	1.0
137.06030	0.6
137.09572	0.5
138.06761	0.7
145.06567	0.7
145.07588	2.8
146.03116	2.4
146.06987	0.5
147.04401	2.7
147.08041	20.8
148.08472	0.6
149.05928	1.4
150.06297	1.3
151.07524	5.9
160.12048	0.8
161.05972	0.4
161.09554	0.8
161.13271	3.0
163.07536	63.6
164.07889	3.1
177.09041	0.7
178.09883	40.0
178.13124	2.4
178.16710	1.7
179.03474	0.7
179.07074	3.0
179.08545	0.8
179.10515	3.3
179.14282	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00313	0.5
53.03944	1.7
55.01878	1.9
57.03443	0.5
65.03939	1.0
67.05505	1.5
69.03425	0.4
69.07067	0.7
69.14771	0.4
69.56601	0.4
71.32487	0.6
79.05493	10.6
80.05818	1.3
80.45917	0.4
81.03458	0.4
81.07066	1.4
88.02208	0.7
91.05478	14.3
92.05793	0.8
93.07053	2.3
93.76315	0.4
94.07365	0.9
95.04963	4.2
95.08619	1.2
103.04845	0.8
103.05472	7.7
105.03374	0.6
105.04529	0.8
105.07031	21.6
106.04191	0.5
106.07359	0.8
107.04956	100.0
107.08595	2.9
108.05201	2.0
108.08926	1.2
109.06532	1.0
109.10220	0.4
115.05453	7.5
117.07034	4.2
119.04951	3.9
119.08554	2.6
120.05732	1.3
120.08873	0.5
121.06519	2.1
122.06804	0.5
122.10493	0.9
123.04426	1.3
123.08066	1.2
131.04929	1.1
131.51457	0.4
132.05716	0.7
132.08850	0.4
133.06493	11.8
133.10115	0.9
135.04465	0.7
135.08052	16.0
135.11778	0.4
136.05148	1.2
136.08435	0.4
137.05998	1.2
138.06758	1.0
145.07561	2.4
146.03578	0.6
147.04411	4.6
147.08054	18.1
148.08559	0.4
149.05989	1.8
151.03967	0.5
151.07549	10.2
161.09720	0.5
161.13332	0.4
163.07542	62.8
164.07945	2.6
178.09877	37.5
178.12283	13.8
178.15749	0.6
179.03447	0.6
179.07103	2.9
179.08569	0.9
179.10439	2.6
179.12695	0.4
179.14275	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00313	0.5
53.03944	1.7
55.01878	1.9
57.03443	0.5
65.03939	1.0
67.05505	1.5
69.03425	0.4
69.07067	0.7
69.14771	0.4
69.56601	0.4
71.32487	0.6
79.05493	10.6
80.05818	1.3
80.45917	0.4
81.03458	0.4
81.07066	1.4
88.02208	0.7
91.05478	14.3
92.05793	0.8
93.07053	2.3
93.76315	0.4
94.07365	0.9
95.04963	4.2
95.08619	1.2
103.04845	0.8
103.05472	7.7
105.03374	0.6
105.04529	0.8
105.07031	21.6
106.04191	0.5
106.07359	0.8
107.04956	100.0
107.08595	2.9
108.05201	2.0
108.08926	1.2
109.06532	1.0
109.10220	0.4
115.05453	7.5
117.07034	4.2
119.04951	3.9
119.08554	2.6
120.05732	1.3
120.08873	0.5
121.06519	2.1
122.06804	0.5
122.10493	0.9
123.04426	1.3
123.08066	1.2
131.04929	1.1
131.51457	0.4
132.05716	0.7
132.08850	0.4
133.06493	11.8
133.10115	0.9
135.04465	0.7
135.08052	16.0
135.11778	0.4
136.05148	1.2
136.08435	0.4
137.05998	1.2
138.06758	1.0
145.07561	2.4
146.03578	0.6
147.04411	4.6
147.08054	18.1
148.08559	0.4
149.05989	1.8
151.03967	0.5
151.07549	10.2
161.09720	0.5
161.13332	0.4
163.07542	62.8
164.07945	2.6
178.09877	37.5
178.12283	13.8
178.15749	0.6
179.03447	0.6
179.07103	2.9
179.08569	0.9
179.10439	2.6
179.12695	0.4
179.14275	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.1227
Annotation	mephedrone
Peak:m/z	Relative Intensity
53.03941	0.4
54.19582	0.3
55.01875	0.8
56.96568	2.6
59.93113	1.0
67.05500	0.8
69.33582	0.4
70.06605	0.4
70.83383	0.8
77.03938	0.5
77.94147	0.6
79.05486	1.9
80.05035	0.8
81.07065	1.0
85.02901	0.5
86.71609	0.4
88.02226	0.7
90.31863	0.4
91.05474	5.0
92.05022	0.9
93.05811	0.5
93.07072	1.0
95.04983	1.1
95.08653	0.5
95.95241	0.5
98.97595	0.6
103.05459	0.7
105.03437	0.6
105.07025	3.7
107.04980	0.8
107.08582	0.8
109.06538	0.7
115.05447	0.9
116.98630	0.9
117.07024	1.5
118.06544	9.9
118.96782	4.8
119.01926	0.6
119.04940	5.2
119.07317	10.0
119.08555	0.7
121.06466	0.4
122.83441	0.3
123.04419	2.1
123.08040	0.5
130.06516	0.5
132.08095	1.5
133.02809	0.7
133.06502	2.0
133.08748	0.4
133.10109	1.0
133.99146	0.9
134.09653	63.9
135.06621	0.5
135.08194	0.4
135.09987	2.5
136.93117	1.0
137.05980	1.0
146.03592	0.9
147.04407	6.9
150.02737	0.5
150.05418	0.5
150.95706	0.6
151.03897	0.9
151.07500	2.1
154.94197	2.0
154.96439	1.9
159.96930	0.4
160.07533	0.5
160.11230	2.1
161.05937	1.4
161.09575	0.9
162.09093	1.9
163.03813	0.7
163.09953	1.5
172.95354	3.8
177.98056	1.6
178.04880	0.8
178.12263	100.0
179.03413	3.9
179.07060	2.9
179.10666	0.7
179.12654	6.7
179.14209	0.4
190.95180	1.3
190.96355	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
69.10220	3.5
69.10642	1.8
82.01446	0.9
82.99836	1.4
93.63970	0.5
97.36111	0.5
100.02473	2.2
101.00874	24.3
102.00934	1.8
115.02427	0.8
118.03532	0.9
119.01916	100.0
120.01993	5.7
133.03474	7.3
133.10161	0.6
137.02948	32.1
138.03041	1.8
142.03482	1.6
143.03590	0.7
151.04541	3.4
156.05077	3.4
156.97502	1.5
161.02956	18.7
161.04643	2.0
162.03078	1.3
162.04315	0.8
174.06102	1.4
179.00691	2.4
179.02344	1.3
179.04005	28.1
179.05612	1.4
179.10564	0.8
180.04118	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	179.0702
Annotation	CHEBI:67424
Peak:m/z	Relative Intensity
52.16757	0.4
53.00307	0.9
53.03941	2.4
55.01873	4.2
55.05507	1.1
57.03432	2.8
57.07063	0.5
65.03938	8.4
66.04719	0.6
67.05213	0.5
67.05508	7.0
68.99783	0.7
69.03381	0.6
69.07064	1.1
71.32799	0.6
79.05495	6.6
79.50220	0.5
80.06281	2.3
81.07059	5.5
83.04977	0.7
85.02885	1.2
85.06458	0.5
90.04710	0.9
91.05476	100.0
92.05809	3.2
92.06302	0.6
93.03389	1.4
93.07043	4.3
95.04971	6.4
95.08601	6.4
103.05452	4.4
105.03391	1.6
105.04535	0.8
105.07030	9.1
107.04941	2.9
107.08578	1.1
108.05773	5.1
109.06514	2.8
109.10142	2.8
110.03622	1.1
115.05441	1.1
116.38196	0.5
118.04165	3.9
119.04939	74.8
119.08585	2.6
120.05169	2.7
121.02818	1.1
121.06519	3.3
121.10166	1.2
123.04435	8.3
123.08057	9.5
123.11707	2.7
124.08368	0.6
131.04950	0.8
133.02893	0.6
133.06470	6.5
133.10123	4.2
134.03596	0.8
135.04422	1.0
135.11641	0.5
136.05188	6.7
137.05974	5.2
137.09659	1.1
146.03627	0.9
147.04401	37.6
148.05016	2.0
149.02338	0.7
149.05931	0.7
151.03880	1.4
151.07535	17.4
151.08748	0.9
151.11185	2.2
152.07822	0.6
161.05986	4.0
161.09621	1.0
161.13248	1.7
163.07625	0.5
164.04704	2.0
164.07959	0.6
165.05479	1.2
178.07820	0.7
179.03470	1.1
179.07037	20.6
179.08388	1.0
179.10568	3.5
179.14279	2.7
180.07660	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0701
Annotation	Isoferulaldehyde
Peak:m/z	Relative Intensity
52.03175	0.8
53.03947	2.7
55.01878	5.4
57.03441	0.7
61.86535	0.7
65.03946	6.1
67.05499	9.9
68.99772	3.4
69.08734	6.8
77.03919	1.6
79.05486	9.1
80.06287	0.7
81.03421	1.5
81.07066	1.2
85.02905	1.1
86.89641	0.6
91.05477	28.9
93.03408	1.3
93.07053	3.6
95.04966	18.6
95.08592	4.2
99.30122	0.7
103.05453	4.0
105.03408	2.0
105.07032	13.8
105.15009	0.6
107.04337	0.7
107.04973	3.2
108.05740	3.5
109.02885	2.2
109.06514	1.7
110.03687	5.6
111.04447	2.0
115.05450	1.7
115.49476	0.8
118.04177	1.8
119.04942	24.5
119.08587	1.3
120.05209	0.9
121.02879	3.6
121.04008	1.3
121.06516	3.5
123.04427	100.0
123.08047	9.8
124.04774	3.3
127.76404	0.8
133.06525	5.6
133.10101	0.8
136.05208	5.0
137.05983	3.7
146.03636	0.8
147.04398	22.4
148.04863	0.9
149.05940	1.4
151.03918	6.7
151.07535	47.8
152.07893	2.5
159.35268	0.7
161.05959	2.9
161.07126	4.3
161.09676	0.9
164.04655	1.1
179.07031	58.0
180.07571	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0702
Annotation	Isoferulaldehyde
Peak:m/z	Relative Intensity
53.03946	2.3
55.01868	4.5
55.05511	0.5
56.33849	0.4
56.45161	0.5
57.03434	0.6
65.03949	4.1
65.41169	0.6
65.97643	0.4
66.04720	0.6
67.05502	10.1
68.99787	2.8
69.03401	0.8
69.35606	2.2
69.36007	1.1
77.03898	0.9
79.05489	8.8
80.06268	0.6
81.03414	1.8
81.07053	2.1
83.04987	1.0
85.02929	0.8
91.05479	21.4
92.05796	1.1
93.03413	1.5
93.07052	3.3
95.04971	17.9
95.08615	4.7
98.23335	0.9
103.05464	4.9
105.03387	1.3
105.04527	0.7
105.07024	11.4
107.04945	2.2
108.05732	3.3
109.02879	2.9
109.06488	1.4
110.03657	5.5
111.04432	2.2
115.05421	1.1
118.04198	1.2
118.74670	0.5
119.04940	19.6
119.08585	0.6
120.05239	0.7
121.02898	2.5
121.03975	1.6
121.06486	2.1
123.04427	100.0
123.08052	10.0
124.04767	3.4
133.06459	4.4
133.10136	0.8
135.04398	0.7
136.05212	4.1
137.05980	2.9
147.04395	16.5
148.96194	0.5
149.05963	1.6
150.06754	0.6
151.03931	5.9
151.07538	46.7
152.04247	0.5
152.07906	1.3
161.06053	3.6
161.06990	3.6
161.09622	1.6
164.04663	0.9
179.07033	55.3
179.10565	1.9
180.07440	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	179.0702
Annotation	ETHYL BENZOYLFORMATE
Peak:m/z	Relative Intensity
51.02369	0.6
53.03946	5.3
55.01862	0.4
57.03434	17.4
67.05504	0.4
71.35278	0.3
77.03911	1.8
78.13233	0.3
79.05490	22.1
80.05830	0.5
81.03407	0.9
81.07039	0.3
89.03941	0.3
91.05475	1.3
93.07042	0.4
95.04972	5.7
95.08601	0.6
101.05511	0.2
105.03387	100.0
105.04532	2.5
105.06987	1.5
106.03724	3.2
118.72187	0.2
119.04944	0.9
119.08624	0.3
123.04424	18.4
123.08094	0.5
124.04779	0.8
133.02853	0.9
133.06499	0.3
133.10138	0.6
135.04456	0.3
137.05997	0.3
137.09605	0.8
147.04419	1.2
151.03877	1.3
151.07552	0.6
161.05963	0.4
179.03406	2.2
179.07027	12.0
180.07396	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0703
Annotation	Isoferulaldehyde
Peak:m/z	Relative Intensity
53.03942	2.7
55.01875	3.5
55.05502	1.9
57.03429	1.0
65.03938	4.9
67.05501	11.5
68.99794	4.0
69.03428	1.0
69.07082	0.6
69.25053	0.6
69.25668	3.2
70.97981	0.4
74.33852	0.6
77.03930	1.6
79.05488	11.0
80.02591	0.6
80.06254	0.7
81.03427	1.6
81.07041	4.7
83.04975	1.3
85.02888	0.7
88.48818	0.5
89.85602	0.5
91.05477	26.2
92.05791	0.8
93.03414	1.2
93.07035	4.2
95.04968	17.6
95.08614	6.5
98.23348	1.0
103.05470	5.8
105.03376	2.6
105.04485	1.1
105.07025	14.7
106.04235	0.5
106.07368	0.6
107.04968	3.7
107.08604	1.4
108.05787	3.1
109.02857	2.8
109.06517	2.2
109.10143	1.9
110.03661	5.7
111.04460	1.8
111.07983	0.6
115.05467	0.9
117.07018	0.5
118.04162	1.6
119.04941	19.1
119.08566	2.8
120.05277	0.7
121.02868	3.0
121.03976	1.2
121.06498	3.3
121.10149	1.4
122.03661	0.6
123.04424	100.0
123.08051	11.5
123.11683	0.6
124.04767	3.0
133.06497	3.7
133.10117	3.9
135.11739	0.7
136.05208	5.4
137.05989	3.9
137.09634	0.7
138.06721	0.7
147.04410	15.8
147.05591	0.8
147.07979	0.5
148.04813	0.8
149.02324	0.9
149.05984	2.0
150.06750	0.6
151.03938	5.1
151.07532	50.2
152.07907	1.8
161.05962	1.5
161.07140	3.6
161.09595	0.9
161.13248	1.9
164.04762	2.6
164.08058	1.1
165.05470	0.7
178.07806	0.6
179.03445	1.5
179.07030	61.8
179.14226	2.7
180.07384	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	179.0701
Annotation	(E)-Methyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
54.90962	0.5
55.01866	1.5
59.48714	0.5
65.03947	2.1
67.05489	0.7
69.03431	2.0
69.44019	3.0
70.06582	0.8
72.04497	0.6
77.03931	0.6
79.05493	1.3
81.03426	0.5
81.07066	1.1
82.01478	0.7
84.08134	0.8
85.02906	3.7
91.05480	36.9
92.05805	1.0
93.07049	0.6
95.04975	1.4
97.02905	1.0
99.04427	0.6
100.02493	1.7
101.00890	0.9
105.07024	1.7
107.08539	0.6
108.05765	0.6
109.06554	0.9
110.71973	0.5
113.14933	0.5
114.69633	0.6
116.98683	0.5
118.03524	1.3
119.01951	6.5
119.04941	81.2
120.05276	2.4
120.96469	0.7
121.06564	0.6
123.04408	2.4
123.08082	0.8
124.05118	0.6
127.03913	2.3
130.06529	1.6
132.08081	1.9
133.02766	0.9
133.06502	2.0
133.10086	1.2
134.06017	1.4
136.05127	1.2
137.02959	2.3
137.05972	7.9
137.06889	1.6
137.09631	0.8
138.96478	1.4
145.04945	0.9
146.03635	0.7
147.04405	100.0
148.04712	4.2
148.07538	1.3
150.06653	0.6
151.03889	2.5
151.07602	3.6
156.97461	7.4
161.02844	0.7
161.06015	1.3
161.09616	1.1
161.13216	0.8
162.08955	0.7
164.04668	2.1
174.98535	7.9
179.03320	4.6
179.07045	16.9
179.08719	0.7
179.09229	1.0
179.10437	0.9
179.11844	1.5
179.99094	7.5
180.06398	0.9
180.08807	1.0
180.10182	1.3
198.00166	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	179.0702
Annotation	CHEBI:67424
Peak:m/z	Relative Intensity
53.00308	0.5
53.03941	1.6
55.01876	2.0
55.05513	0.7
57.03442	2.8
65.03939	9.2
66.04293	0.4
66.04715	1.0
67.05503	3.6
68.99783	0.5
69.03429	0.8
75.06867	0.3
78.04723	0.4
79.05490	6.4
79.62126	0.3
80.06274	2.5
81.03424	0.4
81.07066	1.8
85.02909	0.5
90.04697	0.7
91.05479	100.0
92.05807	3.2
93.03395	1.2
93.07047	3.2
94.04192	0.8
95.04965	3.3
95.08617	1.9
97.06480	0.4
98.22489	0.5
103.05447	3.7
105.03402	0.7
105.04521	0.6
105.07033	5.9
107.04968	2.4
107.08530	0.5
108.05735	5.7
109.06532	2.5
109.10166	0.4
115.05470	0.6
118.04151	3.3
119.04940	65.1
119.08573	1.5
120.05256	2.5
121.02855	0.5
121.06510	2.9
121.10032	0.4
122.03650	0.7
123.04424	1.4
123.08070	7.3
123.16334	0.4
131.04929	0.6
133.06482	6.6
133.10135	0.6
134.00000	0.4
134.03665	0.5
134.05916	0.3
135.08051	0.4
136.05215	4.6
137.05971	5.6
138.06708	0.8
147.04404	26.3
148.04790	1.0
149.05984	1.2
151.07533	15.6
152.07849	0.7
153.12286	0.3
161.05965	0.7
161.09660	0.5
161.13255	0.7
164.04674	0.6
164.08368	2.0
165.05496	0.4
177.05702	0.4
179.03294	0.4
179.07062	9.8
179.08638	0.5
179.10535	1.8
179.14272	1.1
180.10155	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0703
Annotation	CHEBI:67424
Peak:m/z	Relative Intensity
51.35064	0.3
52.22535	0.3
53.03939	1.7
55.01879	2.4
57.03438	2.9
58.97766	0.3
60.68942	0.3
62.53002	0.3
65.03941	10.6
66.04720	0.7
67.05498	4.6
68.99777	0.9
69.03439	0.5
71.12828	0.5
72.86451	0.3
79.05492	6.7
80.06260	2.5
81.03434	0.7
81.07041	1.3
85.02893	0.8
90.04711	0.7
91.05480	100.0
92.05805	2.9
92.06272	0.3
93.03396	1.7
93.07042	4.1
94.04206	0.6
95.04969	4.9
95.08615	2.0
96.50237	0.3
103.05457	6.1
105.03422	0.5
105.04538	0.8
105.07031	5.5
107.04964	2.0
107.08587	1.7
108.05738	7.3
109.02912	0.7
109.06553	2.3
110.03654	1.0
111.04462	0.4
113.02424	0.4
115.05482	0.9
118.04163	4.1
119.04942	72.6
120.05249	2.6
121.02890	0.8
121.06516	3.4
121.10156	0.5
122.03635	0.5
123.04424	7.3
123.08072	10.3
124.04771	0.3
124.08455	0.4
125.05963	0.5
131.04922	1.4
133.06497	6.5
133.10165	0.5
134.03629	0.5
134.10443	0.4
135.04425	0.7
135.08057	0.7
136.05196	6.7
137.05994	6.4
138.03131	0.3
138.06798	0.8
147.04408	29.0
148.05128	1.4
149.06033	0.8
151.04007	0.6
151.07542	18.1
151.11192	0.5
152.07912	0.6
161.05957	1.4
161.13269	0.9
163.07597	0.4
164.04648	2.0
165.07787	0.5
179.07036	20.7
179.10391	0.6
179.14311	0.8
180.07497	0.7
180.10178	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	179.0703
Annotation	CHEBI:67424
Peak:m/z	Relative Intensity
53.03940	1.8
55.01858	3.0
55.05494	1.0
57.03433	2.8
65.03939	8.3
66.04700	0.5
66.44966	0.4
67.05504	4.3
68.99785	1.2
69.03421	0.9
69.07065	0.6
69.16627	3.0
77.03917	0.5
79.05486	5.9
80.06271	1.6
81.03426	0.8
81.07032	2.2
81.43792	0.5
83.04975	0.7
85.02897	0.7
90.04693	0.7
90.14344	0.4
91.05477	100.0
92.05804	3.4
93.03408	2.1
93.07038	4.8
94.04152	0.5
95.04963	5.4
95.08617	2.4
96.05282	0.5
103.05460	5.3
105.03403	0.5
105.04503	0.8
105.07032	5.6
107.04949	1.9
107.08610	1.2
108.05755	6.0
109.06506	2.8
110.03660	1.1
118.04168	4.3
119.04939	73.1
119.08566	0.9
120.05218	2.2
121.02885	0.7
121.06507	4.1
122.03677	0.5
123.04424	8.6
123.08064	10.1
131.04965	0.8
133.06494	6.6
133.10139	0.8
134.03592	0.5
135.04445	0.8
136.05186	7.3
137.05975	3.8
137.09558	0.6
147.04408	22.7
148.05141	1.6
149.05992	0.7
151.07538	19.2
151.11183	1.3
152.07913	0.9
161.05991	1.1
161.13274	1.1
164.04720	2.1
179.03391	0.5
179.07045	16.8
179.10602	0.8
179.14345	1.5
180.07446	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0703
Annotation	Isoferulaldehyde
Peak:m/z	Relative Intensity
51.02377	0.6
51.57321	0.3
53.03941	2.5
55.01876	5.1
55.05502	1.3
57.03431	1.1
65.03944	5.6
67.05506	13.3
68.05830	0.5
68.99798	3.8
69.00691	1.2
69.01112	2.6
69.03428	1.5
69.07068	0.5
71.01347	0.5
77.03928	1.2
78.05307	0.4
79.05044	0.7
79.05493	11.2
80.06267	0.9
81.03405	1.5
81.07069	3.7
83.04994	1.2
85.02911	0.8
85.06550	0.9
91.05482	28.2
92.05803	0.8
92.06326	0.5
93.03402	1.5
93.07040	5.1
94.04174	0.5
95.04974	19.7
95.08604	6.2
96.05299	0.5
97.02881	0.7
103.05473	6.0
105.03409	2.0
105.04526	1.1
105.07032	15.6
107.04958	2.7
107.08588	1.7
108.05757	3.8
108.99870	0.4
109.02876	2.4
109.06520	2.4
109.10150	1.2
110.03667	6.3
111.04484	2.3
115.05449	1.5
118.04150	1.6
119.04948	20.2
119.08588	3.1
120.05318	0.6
121.02860	4.3
121.03980	1.5
121.06519	3.1
121.10168	0.9
123.04431	100.0
123.08057	10.6
124.04747	3.9
124.08325	0.5
133.06491	4.9
133.10129	3.3
135.04440	0.8
135.11694	0.9
136.05219	4.6
137.02361	0.5
137.06018	3.7
137.09592	1.2
145.73529	0.4
146.03610	1.1
147.04410	17.4
148.04808	0.6
149.05965	1.6
150.06766	0.8
151.03926	5.5
151.07542	49.6
152.04712	0.4
152.07840	1.9
161.05942	2.9
161.07117	4.0
161.09590	1.5
161.13260	1.2
162.06334	0.4
164.04634	1.1
164.08388	0.6
168.02438	0.4
179.07036	57.0
179.14243	3.0
180.07361	2.7
183.71790	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0703
Annotation	(E)-Methyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
51.02357	0.7
52.02798	0.4
53.03934	1.8
55.01873	4.7
55.05507	1.5
57.03440	2.5
65.03943	8.8
66.04705	0.8
67.05508	7.6
68.99783	1.3
69.03438	1.2
69.07052	1.9
77.03924	1.2
79.05495	8.5
80.05839	0.7
80.06273	2.5
81.03409	0.7
81.07064	5.9
83.04959	1.0
83.29472	0.5
85.02906	1.4
90.04671	0.8
91.05481	100.0
92.05791	2.8
93.03384	1.9
93.07052	6.2
94.04169	0.8
95.04974	8.4
95.08607	7.5
97.06516	0.9
103.05471	5.7
105.03404	1.7
105.04512	0.9
105.07034	15.6
106.07365	0.6
107.04945	3.0
107.08588	1.7
108.05760	5.3
109.02885	0.7
109.06555	3.2
109.10141	3.7
110.03644	0.7
111.04445	0.7
115.05483	1.1
117.07027	0.8
118.04162	4.6
119.04945	76.1
119.08576	3.6
120.05260	1.9
120.05883	0.6
121.02856	1.3
121.06512	3.4
121.10143	1.5
122.03640	0.7
123.04434	9.8
123.08069	10.3
123.11686	2.6
125.05956	0.7
131.04930	1.9
132.05653	0.5
133.02838	0.9
133.06477	8.0
133.10114	5.8
134.03596	0.5
135.04425	1.2
135.08032	0.6
135.11673	0.7
136.05208	6.6
137.05988	7.7
137.09645	1.4
138.03113	0.5
146.03624	0.8
147.04405	48.6
148.04915	2.0
149.02293	0.7
149.05951	2.5
151.03954	1.8
151.07545	22.5
151.11220	1.8
152.07932	0.6
153.05447	0.5
161.05966	4.7
161.09628	1.1
161.13268	1.7
163.07532	1.2
164.04770	2.5
164.08043	0.6
165.05481	3.3
167.31142	0.5
179.03577	2.5
179.07060	22.9
179.08557	1.8
179.10580	5.7
179.14261	3.2
180.07750	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	179.1065
Annotation	4-t-Butylbenzoic acid
Peak:m/z	Relative Intensity
53.03954	2.5
53.04181	0.5
55.01872	2.5
55.05508	2.3
57.03428	0.7
65.03932	1.6
67.05501	7.1
68.99790	2.1
69.03426	5.0
69.07064	1.7
69.34305	3.6
71.04987	1.1
77.03931	0.9
79.05489	8.0
80.02620	0.5
81.03425	0.9
81.07048	11.0
83.04990	1.5
85.02894	0.5
91.05474	21.5
93.03408	0.6
93.07032	7.1
95.04958	11.5
95.08601	2.8
97.06519	1.6
103.05476	2.8
105.03402	1.3
105.04556	0.6
105.07024	33.7
106.07365	1.0
107.04953	1.7
107.08585	5.6
108.05705	0.9
109.02869	2.9
109.06501	5.4
109.10151	3.2
110.03654	0.9
111.04436	1.6
115.05473	1.4
117.07030	1.5
118.07816	0.5
119.04939	9.7
119.08578	10.9
120.08916	0.6
121.02869	1.3
121.06497	13.7
123.04420	30.2
123.08066	8.8
123.11708	1.5
124.04818	0.4
124.05151	0.5
125.05951	0.9
127.07567	1.1
128.06204	5.6
131.04941	1.7
131.08557	2.1
132.05730	0.6
132.08047	0.5
133.06497	3.2
133.10118	27.0
134.06068	0.5
134.10437	1.1
135.08070	1.9
136.05179	1.7
137.05974	4.8
137.09615	3.7
143.04884	0.8
143.08556	8.7
145.06474	3.2
146.07246	6.3
147.04407	8.3
151.03937	2.3
151.07535	13.5
151.11188	3.4
152.07942	0.5
159.08018	1.6
161.05951	1.8
161.09601	100.0
162.09946	4.6
179.03424	2.1
179.07086	18.5
179.10652	81.1
180.07558	0.6
180.11008	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	179.1066
Annotation	Methylisoeugenol
Peak:m/z	Relative Intensity
51.02389	0.4
51.36731	0.3
53.03955	1.1
55.01860	2.2
55.05509	0.5
57.03446	0.7
65.03931	0.8
66.04730	0.4
67.05507	1.5
71.46004	0.3
77.03945	0.3
77.88875	0.3
78.04704	1.3
79.05487	2.2
80.06264	1.0
81.07056	1.2
83.04948	0.3
90.04699	0.4
91.05474	25.6
92.05786	0.5
93.07038	5.1
95.04974	2.3
95.08601	0.6
97.40314	0.3
98.23343	0.7
103.05464	4.4
104.06238	9.7
104.09412	0.3
105.03426	0.6
105.04524	0.8
105.07038	3.6
106.04196	0.8
107.04947	8.6
107.08585	0.4
108.05740	3.8
109.06549	1.8
109.10130	0.6
115.05433	4.1
116.06210	0.9
117.07019	5.7
118.04120	0.4
119.04941	2.6
119.06101	0.5
119.08551	4.3
121.06496	21.6
121.10114	0.4
122.03667	0.3
122.06784	0.5
123.04431	3.2
123.08070	1.8
124.05222	2.6
128.06209	0.5
129.07001	0.5
131.04918	9.7
132.05710	10.4
133.06488	8.7
133.10104	0.8
135.04387	4.2
135.08040	1.4
136.05186	24.3
136.08830	0.9
137.06064	1.5
137.09604	1.4
138.06749	15.9
139.07556	3.7
145.06482	0.9
146.07297	0.4
147.04399	2.0
147.08037	18.8
148.08829	11.2
149.05969	31.9
149.09399	0.7
150.06303	1.0
151.07529	100.0
152.07875	3.5
161.06000	0.3
161.09634	0.5
161.13190	0.3
163.07567	1.9
164.08319	73.5
165.08670	3.2
179.03458	0.3
179.06926	1.3
179.10651	27.8
180.11037	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.143
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03942	7.3
55.01874	9.9
55.05507	34.8
57.03427	4.0
57.07051	1.0
60.54574	1.1
65.03928	4.7
67.05502	100.0
68.05832	2.0
69.03410	2.1
69.07063	15.7
69.17455	10.6
71.04998	2.0
79.05492	73.1
80.05826	1.4
81.03413	27.1
81.07052	90.6
82.07362	3.2
83.04977	36.5
83.05373	0.7
83.05478	1.3
83.08613	13.8
85.06530	2.9
91.05478	61.0
92.05823	1.3
93.07039	45.0
94.07379	1.6
95.04967	11.8
95.08601	74.6
96.08917	1.4
97.06521	34.6
97.10167	3.4
98.06857	1.4
99.08066	2.3
103.05523	1.3
105.07026	26.9
107.08585	12.4
109.06516	8.1
109.10139	11.3
111.08073	8.9
113.09665	6.1
117.06991	2.5
119.04945	2.4
119.08572	31.3
120.08867	1.6
121.10137	6.0
123.08064	4.2
131.08615	1.2
133.10118	22.1
134.10439	1.4
135.11681	8.4
137.09579	2.5
147.04361	1.4
151.07465	2.0
158.63261	1.2
159.11765	1.4
161.13280	17.0
178.01230	1.0
179.06418	1.8
179.14301	58.9
180.06602	1.4
180.14613	3.6
184.47749	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1431
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03943	2.9
55.01865	3.7
55.05512	11.6
57.03432	8.5
57.07068	2.8
65.00655	1.0
65.03942	2.7
67.05503	42.4
69.03430	3.2
69.07067	14.9
69.27201	7.8
71.04993	12.6
79.05047	1.7
79.05496	34.4
80.05824	1.5
80.06258	1.5
81.03412	1.5
81.07056	85.9
82.07365	1.3
83.04978	7.8
83.08617	3.8
85.06543	14.9
91.05480	53.5
92.05795	2.2
93.07046	58.5
94.07389	1.3
95.04971	8.1
95.08607	78.4
96.08916	2.0
97.06529	18.5
99.08089	7.1
103.05438	3.2
105.07030	82.8
106.07361	3.0
107.04937	1.6
107.08597	28.3
109.06520	7.7
109.10152	10.9
111.08082	6.5
115.27007	1.2
117.06997	3.9
119.04950	10.6
119.08582	67.6
120.08910	2.2
121.02854	1.1
121.06542	2.1
121.10144	21.6
123.04441	5.2
123.08079	13.7
123.11695	2.4
130.10153	1.0
131.08571	2.8
133.06496	3.2
133.10130	60.2
134.10469	2.4
135.11694	44.5
136.05206	6.3
136.12065	1.2
137.06003	1.4
137.09648	6.2
137.13237	3.1
146.10866	1.8
147.04439	8.8
151.03903	1.6
151.07545	15.4
151.11150	1.8
151.14786	1.1
161.13258	82.2
162.13602	3.5
176.04974	1.1
179.03381	1.4
179.07063	10.6
179.10701	4.4
179.14308	100.0
180.14690	5.9
190.41818	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.9907
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71481	0.2
54.25048	0.3
56.96553	0.8
60.04513	0.6
69.63985	1.1
70.96838	0.2
73.54262	0.3
82.01461	0.3
98.97583	2.1
98.98124	0.3
100.02474	0.8
101.00877	1.3
102.00943	0.4
102.94335	0.8
103.00623	0.5
116.98626	1.0
118.03526	0.7
119.01895	2.2
120.01966	0.9
120.95351	3.7
121.01628	0.4
122.63565	0.3
131.01881	0.9
134.99710	0.4
137.02946	0.3
138.03047	0.3
138.96407	22.4
139.96495	0.9
147.96970	0.3
148.95955	0.7
154.03311	0.4
156.97472	100.0
157.97559	3.5
158.97868	0.5
159.47670	0.3
161.97978	4.4
162.02977	0.4
165.49979	0.4
168.02853	0.5
168.48164	0.5
174.98528	61.3
175.98593	1.8
176.98898	0.4
177.03297	0.5
179.99065	49.4
180.99164	3.1
198.00128	29.9
198.98499	1.5
199.00217	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0494
Annotation	5,7-dihydroxy-4-methylphthalide
Peak:m/z	Relative Intensity
51.02384	0.5
53.00290	0.5
53.03939	2.9
54.04705	1.2
55.01873	2.1
55.05498	0.6
56.96564	4.1
57.03431	1.1
57.84513	0.4
65.03940	37.2
66.04278	0.8
67.01856	0.5
67.05502	13.9
68.02664	0.4
68.99782	1.2
69.03427	4.4
69.07056	1.1
69.39729	0.8
69.40144	2.2
71.04989	0.4
71.95255	1.3
77.03913	1.5
78.51186	0.4
79.05489	4.2
81.03410	2.5
81.07040	0.6
82.00555	1.3
82.04196	17.1
83.04511	0.4
83.04972	0.6
85.02903	19.5
91.05475	7.0
92.02607	0.7
93.03401	6.7
93.07043	4.2
94.04173	0.8
95.01321	0.5
95.04966	6.5
95.08594	0.5
97.02861	1.7
97.06529	7.7
98.03687	0.4
98.06866	0.5
98.97578	34.9
99.04442	0.8
99.97909	0.5
101.02377	0.6
101.05984	0.4
103.05456	3.4
105.03366	0.5
105.04494	1.6
105.07021	0.9
106.04154	1.3
107.04963	2.5
107.08591	2.5
108.01385	0.7
108.02087	9.9
108.05762	0.5
109.06500	0.6
110.03655	16.0
111.04466	6.7
114.03175	0.7
116.98614	23.4
119.04913	1.1
120.02125	0.5
121.02834	0.8
121.03967	1.1
121.06499	7.5
121.10123	1.7
122.03675	0.7
123.00790	5.1
123.04403	0.8
123.08055	0.8
125.05091	0.8
125.05992	9.2
127.00237	0.5
129.05513	0.6
130.46181	0.5
131.04987	0.8
134.99652	9.8
135.04399	0.6
135.08037	0.7
135.11691	0.7
137.02296	1.8
137.05989	5.6
138.03123	9.1
139.03905	0.9
140.00192	0.9
141.01880	0.6
142.02602	10.4
148.05190	0.7
149.02332	0.5
149.05966	4.8
151.07477	1.0
153.00700	1.2
153.05435	2.2
153.09158	0.5
156.04105	0.8
158.01260	1.1
163.03915	0.9
163.07552	0.7
163.11102	0.5
166.02591	0.9
170.02046	1.1
171.06517	14.1
172.06961	0.4
181.04945	100.0
182.05273	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	181.0858
Annotation	Pestalopyrone
Peak:m/z	Relative Intensity
50.75448	0.8
51.02407	1.0
53.03942	7.4
55.01867	13.7
55.02127	0.7
56.76760	0.7
56.96565	3.6
58.50544	0.7
60.39849	0.7
65.03931	11.1
67.05502	3.8
68.99809	0.9
69.03445	2.5
71.32450	1.0
77.03945	2.3
78.04730	1.1
79.05484	12.0
80.05836	0.9
80.48094	0.7
81.03438	2.1
81.07031	1.7
82.04204	3.2
83.05000	1.2
85.02888	4.1
91.05473	27.5
92.05023	2.0
93.03404	3.1
93.07037	26.6
95.04961	10.7
97.02899	1.8
97.06525	2.6
98.97581	33.0
103.05460	27.3
104.05802	1.9
105.04527	4.1
105.07030	7.0
106.04174	1.0
107.04948	19.9
107.08566	3.7
108.02109	2.5
109.02905	1.5
109.06522	1.3
110.03635	7.5
111.04472	1.6
116.98615	23.9
117.07024	2.0
119.04943	3.8
120.05733	2.6
121.02867	0.7
121.06498	63.4
121.10101	3.8
122.03671	1.0
122.06030	0.9
122.06844	1.4
123.00825	1.1
123.04417	2.5
125.02341	2.8
125.05972	4.9
131.04938	2.6
133.02878	1.3
134.99640	11.5
135.04427	2.0
135.08044	13.6
135.11662	1.5
137.02281	0.8
137.05940	6.1
138.03125	12.8
139.03879	0.9
140.04683	9.7
142.02632	2.7
145.88445	0.8
147.04424	1.5
148.05199	2.2
149.05972	56.3
150.06332	2.2
151.03934	1.6
151.07588	1.0
153.00722	1.4
153.05460	100.0
153.09047	2.2
154.05766	4.4
158.01288	0.8
163.03925	2.4
163.07506	2.8
163.11121	1.9
164.03403	0.9
164.07092	1.0
166.06212	7.2
171.06480	2.9
181.04950	24.4
181.08575	32.2
181.12021	1.5
182.00955	0.9
182.04340	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	181.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34273	0.6
53.03934	1.1
55.01862	1.1
56.96568	5.9
56.97748	0.6
65.03944	4.7
65.33602	0.6
67.05492	2.1
69.70004	2.9
71.95255	1.9
79.05489	2.1
81.07075	1.2
82.04195	2.5
83.25521	0.6
85.02911	1.5
85.29575	0.6
91.05481	8.4
93.03407	2.0
93.07034	2.6
94.04171	6.3
95.04955	1.7
97.06532	1.5
97.75693	0.6
98.97580	63.1
99.97894	0.8
103.05466	2.8
104.54977	0.7
105.07054	0.6
106.04150	0.7
107.04956	1.3
107.08588	0.7
108.02095	1.0
110.03668	1.7
116.98619	37.2
119.04896	3.3
121.06505	3.7
121.10155	1.1
122.03638	15.4
123.00788	0.9
123.08086	0.9
125.05994	2.2
131.04936	1.1
134.99654	14.6
135.08101	0.7
137.05972	100.0
138.03102	2.1
138.06299	4.7
140.00198	1.8
142.02647	0.7
148.05234	0.6
149.05984	1.9
151.07547	2.0
153.00722	1.1
153.05444	0.6
153.09062	0.8
158.01253	2.0
166.06165	0.9
166.89539	0.6
171.06503	3.8
181.04941	13.3
181.08574	4.4
182.05322	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0859
Annotation	Pestalopyrone
Peak:m/z	Relative Intensity
51.02382	1.3
53.00286	0.7
53.03944	5.2
55.01875	11.0
56.96568	5.3
65.03937	10.6
67.05488	4.8
68.75941	0.9
69.03437	1.2
69.43703	4.8
71.95263	1.4
77.03928	1.4
79.05492	7.8
81.03423	1.8
81.07039	1.2
82.04185	6.1
85.02895	3.5
88.79881	0.8
91.04927	1.3
91.05478	19.5
92.02634	1.2
93.03382	4.2
93.07042	20.7
94.27349	0.8
95.04971	5.6
97.02891	4.5
97.06511	1.9
98.97577	52.8
103.05466	37.0
103.06012	0.6
103.06169	1.0
103.85026	0.8
105.04518	1.5
105.07019	3.6
106.04142	0.8
107.04952	13.0
107.08564	1.1
108.02100	1.3
109.06463	0.9
110.03671	9.3
111.04433	2.3
116.98618	33.1
119.04943	2.0
120.05766	0.8
121.06501	56.2
121.10113	1.9
122.03633	1.8
122.05958	0.8
122.06799	1.5
123.00798	1.7
125.02349	28.5
125.05984	5.9
131.04938	5.1
134.99661	11.7
135.04337	0.8
135.08049	7.7
137.02315	1.8
137.05974	14.1
138.03125	8.6
140.00203	1.2
140.04674	100.0
141.05003	2.8
142.02583	1.1
148.05237	1.0
149.05975	39.9
150.06319	2.1
151.04004	1.0
151.07587	0.9
153.00725	1.0
153.05463	40.6
154.05835	1.0
158.01273	0.9
163.07484	2.6
163.11153	1.3
166.06230	3.9
170.02061	1.7
171.06519	8.7
181.04945	32.2
181.08572	20.8
181.10014	0.9
181.12201	1.2
182.05325	2.2
182.09062	0.8
182.18971	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0858
Annotation	80638-48-8
Peak:m/z	Relative Intensity
53.03941	1.0
55.01891	0.4
64.03142	0.5
65.03931	1.5
67.05509	1.3
68.99770	0.4
69.03436	0.5
70.63244	0.7
73.18422	0.2
77.03915	0.5
78.04710	2.6
79.05496	3.4
80.06258	0.5
81.03409	1.1
81.07043	0.7
89.03903	1.4
90.04707	1.4
91.04944	0.5
91.05473	7.4
92.02589	0.3
92.06263	0.8
93.03404	0.5
93.07046	1.1
94.04205	0.4
95.04973	2.7
95.08613	0.3
97.02892	0.4
105.03411	1.4
105.07036	0.3
106.04169	1.3
107.04950	4.6
107.08587	0.3
108.05737	1.5
109.06509	2.7
110.07285	0.4
112.88885	0.2
116.91318	0.3
118.04169	0.9
119.04952	0.5
120.02048	0.5
120.05717	1.0
121.02867	0.4
121.06501	1.9
121.10148	1.1
122.03675	0.9
123.04417	4.6
123.08064	0.4
135.04414	1.0
136.05190	2.7
137.05969	14.5
138.03091	0.3
138.06761	5.6
139.07567	0.3
145.10103	0.5
148.05179	47.6
149.05524	1.9
151.03894	5.3
163.07509	0.4
163.11140	0.9
165.05470	2.1
166.06218	1.5
167.03383	0.4
181.08586	100.0
182.08961	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	181.0859
Annotation	Coniferyl alcohol
Peak:m/z	Relative Intensity
51.02364	0.9
52.80879	0.6
53.03468	0.4
53.03936	2.3
55.01859	2.8
55.05479	0.5
57.03439	5.3
58.15310	0.5
65.03938	0.7
69.03233	4.8
74.96259	0.5
77.03926	0.8
79.05489	5.9
91.05476	10.1
91.19958	0.6
93.07036	11.6
95.04962	3.0
98.97554	0.8
103.05467	35.3
104.05774	1.0
105.04536	1.6
105.07029	8.1
107.04951	100.0
108.05297	2.9
109.02931	0.9
110.61938	0.5
111.08081	0.9
114.45575	0.7
120.05696	1.8
120.18983	0.6
121.06503	33.2
122.06831	1.2
123.04433	1.7
124.05209	2.6
129.16060	0.5
131.04930	13.2
135.08049	21.8
136.08356	1.1
137.05949	1.6
139.07542	1.4
147.04417	1.2
148.05188	19.2
149.05994	14.2
163.07545	27.2
166.06294	1.1
181.05113	0.6
181.08586	8.9
182.08936	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0859
Annotation	Coniferyl alcohol
Peak:m/z	Relative Intensity
53.03947	3.1
55.01867	2.3
57.03441	5.4
69.03248	5.4
69.03648	1.0
77.03922	1.2
78.04686	0.7
79.05502	5.0
91.05485	8.2
93.06517	0.9
93.07046	10.0
95.04964	3.3
98.97579	0.6
102.64153	0.5
103.05470	36.6
104.05807	1.3
105.04536	1.2
105.07031	8.0
107.04954	100.0
108.05317	2.2
108.20354	0.5
109.02876	1.0
114.68095	0.5
117.07022	0.7
119.04919	0.8
120.05742	0.9
121.06501	34.2
122.03678	0.6
122.06876	0.9
123.04413	2.2
124.05241	2.7
125.05995	1.0
131.04919	12.5
135.08052	22.0
136.08424	0.6
137.05978	5.3
139.07587	1.1
147.04411	1.3
148.05183	17.7
149.05991	13.6
150.06284	0.6
153.05478	0.6
163.07547	24.2
164.07947	1.0
164.09232	0.6
166.06195	0.8
181.05042	0.7
181.08554	8.3
181.10025	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1222
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
51.02365	0.5
53.03942	3.1
54.04709	0.8
55.01866	4.3
55.05505	3.8
56.49351	0.5
56.96565	3.7
57.03428	0.8
59.04979	0.8
65.03936	18.1
66.04264	0.7
67.05502	10.0
68.99781	0.7
69.03422	4.6
69.07068	1.7
69.39221	3.4
71.04978	1.9
71.95237	0.9
77.03899	0.9
79.05490	19.0
79.05939	1.1
81.03406	1.1
81.07050	10.0
81.07490	1.0
82.00555	0.6
82.04193	7.6
83.04973	2.3
83.08611	2.2
85.02898	7.5
85.92455	0.5
91.05473	12.3
92.05821	0.6
93.03400	4.2
93.07037	60.5
94.07389	1.9
95.04974	4.2
95.08091	0.5
95.08588	3.0
97.02897	1.6
97.06528	6.5
98.97578	36.8
99.04448	1.3
103.05462	3.4
105.04499	1.2
105.07032	7.9
107.04959	2.0
107.08588	32.4
108.02094	3.9
108.08914	1.4
109.06522	0.9
109.10152	0.9
110.03651	6.8
111.04453	3.2
111.08080	0.7
116.98615	25.2
117.07007	1.6
119.04986	0.9
119.08572	10.4
121.03976	0.6
121.06535	5.2
121.10135	100.0
122.10465	4.3
123.00774	2.4
123.08088	2.8
125.05978	6.3
131.06035	0.6
134.99641	11.0
135.04417	0.8
135.08081	1.2
135.11682	15.7
136.12062	0.8
137.02321	2.3
137.05940	2.9
138.03107	5.4
139.07553	1.7
139.11194	1.0
140.00182	0.9
140.04657	0.9
142.02621	3.6
145.10117	5.4
148.05208	0.9
149.06026	3.0
153.00778	1.1
153.05443	1.0
153.12747	0.9
158.01265	1.1
163.07498	0.7
163.11165	14.7
164.11537	1.1
165.06790	0.6
166.06326	1.0
166.07721	1.0
170.02122	0.6
171.06512	8.8
181.04939	50.8
181.12207	5.8
182.05292	2.2
182.19031	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03535	0.6
53.00301	0.7
53.03946	4.7
55.01871	4.8
55.05510	5.2
56.96570	4.1
57.03429	1.1
65.03941	18.2
66.04285	1.0
67.05506	11.8
67.19579	0.6
69.03423	5.2
69.07069	2.4
69.30295	4.9
71.04981	1.1
71.95274	1.2
76.90136	0.5
77.03933	0.7
79.05492	20.1
79.05934	1.3
81.03410	1.5
81.07054	11.1
82.00542	0.7
82.04194	9.2
83.04980	1.8
83.08607	2.2
85.02906	7.5
86.03200	0.7
91.05473	15.0
93.03394	4.7
93.07040	63.0
94.07368	2.3
95.04961	5.2
95.08599	2.3
97.02898	1.4
97.06531	7.1
98.97580	43.4
99.04467	0.8
100.11248	0.8
100.57005	0.6
101.06025	1.3
103.05460	2.7
105.04557	1.1
105.07032	9.7
106.04169	1.3
107.04955	2.8
107.08588	32.4
108.02100	4.3
108.08889	1.1
109.06535	1.4
109.10139	0.7
110.03667	7.6
111.04449	2.9
116.98617	28.9
117.07018	1.2
117.98930	0.7
118.67280	0.6
119.04958	1.4
119.08587	9.9
121.06523	7.6
121.10139	100.0
122.10470	4.9
123.00786	3.4
123.08040	4.2
123.71025	0.6
125.05992	6.8
130.07716	0.9
134.99654	11.9
135.08052	1.7
135.11684	16.5
137.02335	1.4
137.05981	3.8
138.03128	6.7
139.07555	2.4
142.02635	3.3
145.02316	0.9
145.10115	5.8
148.05261	1.0
148.67961	0.6
149.05949	4.8
152.06184	0.8
153.00714	1.2
153.05467	2.2
153.06938	1.2
153.12796	0.7
158.01285	1.3
159.02116	0.7
163.11174	17.7
164.06992	0.8
165.07024	1.1
166.02589	1.1
166.06372	0.9
166.07753	2.5
168.02580	0.9
170.02094	0.9
171.06540	12.5
172.06963	0.8
181.04950	51.4
181.06355	3.4
181.08507	4.7
181.10089	1.4
181.12231	5.5
182.05328	3.3
182.19023	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	181.1223
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
50.78683	1.0
55.01871	2.3
55.05510	2.1
57.07075	20.3
57.14680	1.0
57.20763	1.1
59.04990	2.5
61.61831	0.9
63.94232	0.8
67.05491	1.4
69.07064	4.0
69.19775	7.2
69.20180	1.8
79.05501	7.3
81.03418	4.9
81.07050	3.6
83.04980	42.9
84.05314	1.3
91.05467	3.9
93.07058	7.0
94.91586	1.1
95.04962	12.7
95.08604	2.2
97.06537	21.3
98.23366	2.3
98.97601	9.6
103.26711	1.0
105.07039	4.0
107.04979	1.8
107.08602	9.3
109.22074	1.0
116.98618	5.8
117.06986	2.3
119.08595	2.7
121.06498	2.9
121.10143	11.4
123.08151	1.5
125.05991	60.2
126.06357	2.2
130.07771	3.2
134.99675	2.9
135.08049	1.3
135.11702	6.7
145.10118	11.1
146.77319	1.0
163.11182	100.0
164.11548	6.2
171.80728	1.2
181.06340	1.2
181.08597	2.7
181.10027	2.1
181.12222	25.5
182.12595	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1223
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
51.02377	0.8
53.03949	6.7
55.01871	3.0
55.05510	9.0
56.96570	1.2
57.03431	4.1
57.07075	1.2
65.03937	7.2
65.55769	0.6
67.05508	7.9
68.99794	0.7
69.03432	10.9
69.07066	6.0
69.35340	4.3
71.01360	0.7
71.04998	3.0
77.03931	2.2
77.49104	0.6
78.04694	1.5
79.05492	27.6
80.05824	0.9
81.03423	1.6
81.07056	22.1
81.72566	0.6
82.04194	2.8
83.04971	2.1
83.08591	1.1
85.02891	4.1
85.06542	2.3
91.05479	36.7
92.05796	1.7
93.03400	2.5
93.07043	100.0
94.07368	3.5
95.04962	10.6
95.08604	7.9
97.06528	9.0
98.97581	8.5
99.04461	1.7
103.05466	11.8
105.04522	3.1
105.07029	21.8
105.07744	1.1
106.04185	1.9
106.07298	1.1
107.04954	14.7
107.08592	72.2
108.02103	1.7
108.08918	2.4
109.06512	4.8
109.10162	1.7
110.03654	2.3
111.04473	1.0
111.08095	1.5
115.05455	2.1
116.90356	0.6
116.98621	6.6
117.07022	5.2
119.04964	1.5
119.06064	1.4
119.08577	10.2
120.05747	0.9
121.02879	1.1
121.06512	23.9
121.10141	60.1
122.07272	0.7
122.10490	2.6
123.04442	1.4
123.08066	14.7
123.11696	2.1
125.05997	2.3
125.09653	1.0
128.06232	0.6
129.06969	0.6
130.07834	3.5
131.04922	1.4
133.07591	0.8
133.10132	4.2
134.99629	1.9
135.04430	3.0
135.08061	13.3
135.11688	31.3
136.11989	1.1
137.05998	3.2
137.09587	2.2
138.03128	1.2
138.06740	0.9
139.03870	0.9
139.07558	1.3
139.11217	1.1
139.72919	0.6
142.02577	0.8
143.08516	0.8
145.10127	11.0
148.05193	4.5
149.02333	1.1
149.05986	9.3
151.03914	0.8
151.11191	5.6
153.05432	4.3
153.09070	1.4
163.03911	4.0
163.07526	3.2
163.11168	11.2
163.14830	1.2
164.11559	0.8
166.06279	2.8
167.07040	1.1
171.06563	2.1
181.04961	20.0
181.08594	15.0
181.12193	8.9
181.15852	2.0
182.05261	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	181.1222
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
51.02370	0.7
53.03945	7.0
55.01871	4.6
55.05510	9.9
56.96563	3.3
57.03433	1.6
57.07055	0.8
65.03935	15.9
67.05495	11.2
68.99801	1.3
69.03426	12.5
69.07059	6.1
70.41179	1.9
70.41509	1.0
71.04988	3.0
75.04462	1.2
77.03910	1.6
79.05027	1.5
79.05486	28.2
81.03422	2.2
81.07048	20.2
82.04189	7.4
82.07429	0.9
83.04975	2.5
85.02896	7.0
91.05473	30.7
92.05805	1.2
93.03381	5.0
93.07036	100.0
94.07342	3.6
95.04965	8.8
95.08603	8.7
95.55442	0.8
97.06527	10.9
98.97575	32.9
99.04443	1.7
102.08191	0.7
103.05465	5.9
105.04514	2.8
105.07014	19.3
106.04161	2.3
107.04945	5.5
107.08583	70.1
108.02106	3.5
108.08925	2.8
109.06493	6.5
109.10162	2.7
110.03648	7.2
111.04424	3.8
111.08080	1.8
115.05434	1.4
116.98611	26.7
117.07018	4.5
119.04971	1.7
119.06082	1.6
119.08562	11.5
121.06496	19.1
121.10136	62.2
122.10456	0.9
123.00792	2.2
123.04430	1.8
123.08067	14.5
123.11680	1.6
123.81466	0.8
125.05974	7.3
130.07837	1.8
133.07576	1.0
133.10147	3.7
134.99643	10.7
135.04399	2.0
135.08046	11.6
135.11679	39.4
136.12032	1.9
137.02322	1.7
137.05968	7.6
137.09589	1.6
138.03094	5.4
138.06720	1.0
139.03899	0.8
139.07538	1.9
139.11159	1.3
140.00174	1.0
142.02617	3.4
145.10129	11.1
149.02357	1.4
149.05971	5.3
151.07486	0.9
151.11200	4.9
153.00691	1.0
153.05463	3.1
153.09079	1.2
156.27702	0.8
158.01184	0.9
162.72829	0.7
163.03923	2.1
163.07486	1.1
163.11195	12.3
166.02632	1.6
166.06223	1.0
169.01689	0.7
170.02187	1.1
171.06531	11.6
181.04942	46.5
181.08563	7.4
181.12216	10.2
182.05345	2.6
197.96201	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	1.1
53.03952	5.4
55.01868	3.9
55.05501	10.1
56.18634	0.8
56.96564	6.1
57.07072	1.5
61.64875	0.8
65.03930	8.7
67.05502	9.3
69.03418	10.4
69.07077	6.4
69.76061	4.1
71.04984	3.0
71.95254	1.9
77.03938	2.0
79.05491	35.3
81.03412	2.1
81.07054	17.2
82.04179	4.6
83.04975	2.9
83.08644	0.9
85.02881	4.1
91.05472	33.9
93.03390	2.4
93.07037	100.0
94.07372	3.9
95.04966	10.1
95.08608	7.7
97.06530	5.2
98.23226	0.9
98.97576	47.6
99.04459	3.0
103.05459	4.8
105.04504	2.7
105.06330	1.3
105.07027	24.7
107.04965	5.6
107.08585	70.8
108.02090	2.0
108.08928	3.0
109.06528	7.4
109.10148	1.1
110.03642	2.9
111.04456	3.0
111.08106	1.5
115.05455	1.9
116.98614	36.2
117.07028	4.6
119.04914	1.2
119.06059	1.4
119.08588	12.0
121.02876	1.9
121.06493	16.5
121.10135	73.1
122.10478	2.3
123.04445	1.0
123.08060	15.3
123.11694	2.0
125.05980	4.2
130.07779	4.0
133.02817	1.1
133.06511	1.2
133.07555	1.2
133.10118	5.0
134.99651	18.1
135.01331	0.9
135.04399	2.3
135.08061	11.5
135.11679	37.8
136.07506	1.5
136.12054	1.4
137.05952	3.3
137.09596	1.7
138.03117	1.9
139.07515	1.8
140.00127	1.1
142.02612	1.8
145.10117	12.9
148.05205	1.1
149.02318	12.9
149.05977	5.7
151.11182	6.0
153.00719	1.6
153.05481	2.2
153.08992	0.9
158.01262	1.4
163.03893	7.3
163.07518	1.5
163.11168	12.6
164.07010	1.1
166.06215	1.5
171.06522	3.6
181.04953	25.0
181.06291	1.2
181.08586	8.3
181.12198	10.7
182.00851	1.1
182.05212	1.2
199.46281	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1224
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
51.02372	1.4
53.03943	6.8
55.01871	7.3
55.05507	17.7
56.96560	4.5
57.03447	7.4
57.07064	4.5
65.03934	10.6
66.69424	1.0
67.05505	24.1
68.05830	1.5
68.99789	1.3
69.03421	7.1
69.07070	23.0
71.01357	1.4
71.04990	16.9
71.13285	1.7
71.95247	1.6
77.03935	2.7
78.04704	1.2
78.23478	1.1
79.05496	56.7
81.03416	2.3
81.07056	100.0
81.13461	1.1
82.04188	4.1
82.07378	2.7
83.04977	8.0
83.08595	7.1
84.08918	1.4
85.02902	4.6
85.06544	32.8
91.05479	44.6
93.03389	2.7
93.07044	80.0
94.07364	2.2
95.04967	12.9
95.08605	46.6
96.08961	1.4
97.02907	2.1
97.06533	19.7
97.10170	3.8
98.97580	31.1
99.04431	1.2
103.05473	11.6
105.04531	3.7
105.07032	29.5
106.04154	2.8
107.04958	15.1
107.08592	65.4
108.02085	1.6
108.08933	1.7
109.06514	8.0
109.10155	24.6
110.03654	3.5
111.04459	6.7
111.08100	8.2
116.98631	17.7
117.07034	7.0
118.07471	1.1
119.04932	12.1
119.08578	10.9
120.05738	2.5
121.06509	42.7
121.10144	79.4
122.03644	4.2
122.10476	3.0
123.04436	4.2
123.08051	17.2
123.11742	3.4
124.05201	8.0
125.05988	11.9
125.09623	4.4
130.07809	4.3
131.04915	5.5
134.99667	6.5
135.04419	3.4
135.08073	9.5
135.11699	28.2
136.05231	2.1
136.12029	1.7
137.05975	49.2
137.09621	2.7
137.13257	3.4
138.03082	2.1
138.06694	2.5
139.03937	1.9
139.07544	32.7
139.11174	13.0
142.02621	2.0
143.08588	1.6
145.10118	52.3
145.11227	2.6
146.10464	2.7
148.05179	9.1
149.02348	2.2
149.05991	13.1
151.03836	1.6
151.07536	8.3
153.05460	5.8
153.09114	2.1
153.12770	5.7
163.03905	5.1
163.07553	4.9
163.11179	60.0
163.14812	30.3
164.07086	1.6
164.11555	2.9
166.06299	10.3
166.07678	2.5
171.06578	1.7
181.01321	1.9
181.05031	20.7
181.08612	88.9
181.12219	84.7
181.15834	26.5
182.09018	3.9
182.12595	5.8
182.16298	1.6
202.46736	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03144	0.3
53.03948	3.3
55.01873	2.7
55.05511	12.4
56.96564	1.3
57.03444	2.2
57.07079	4.2
65.03940	4.9
67.05506	12.8
67.05870	0.7
69.03426	2.0
69.07069	16.4
69.11406	3.3
71.04996	18.9
71.08633	0.4
71.95285	0.4
77.03932	1.1
78.04713	0.5
79.05495	19.7
80.05822	0.9
80.06272	0.5
81.03441	0.7
81.07057	100.0
82.04204	0.9
82.07381	2.6
83.04990	1.2
83.08622	10.1
85.02892	1.6
85.06544	54.0
86.06872	1.1
91.05482	26.3
92.05798	0.8
92.06300	0.7
93.03408	1.0
93.07045	42.3
94.07374	1.1
95.04965	4.9
95.08607	39.3
96.08945	1.1
97.02901	0.5
97.06538	5.7
97.10175	3.6
98.23438	0.5
98.97584	12.9
99.08087	1.0
103.05468	11.5
105.04543	1.5
105.07040	4.9
106.04176	1.0
107.04965	3.6
107.08595	59.3
108.02095	0.5
108.05758	0.3
108.08925	1.6
109.02817	0.4
109.06535	1.6
109.10158	8.7
110.03664	1.0
111.04456	1.9
111.08078	3.4
111.11736	0.4
116.98620	7.8
117.06960	0.5
119.04958	2.3
119.06068	0.6
119.08568	1.4
120.05722	2.9
121.02901	0.5
121.06507	19.5
121.10146	23.6
122.06792	0.4
123.00751	0.4
123.04424	2.4
123.08070	1.3
123.11710	1.7
125.06021	1.8
125.09632	2.8
131.04964	0.6
131.06064	0.6
133.02840	1.8
133.10136	0.3
134.99640	2.9
135.04428	0.6
135.08070	1.8
135.11693	11.4
136.05194	0.9
136.12076	0.4
137.06001	2.5
137.09578	0.4
137.13245	5.1
138.03108	0.9
138.06744	1.9
139.07545	0.6
140.04707	0.4
142.02588	0.7
145.10156	0.9
147.04410	1.7
148.05202	4.1
149.05975	8.9
150.06378	0.6
151.03908	2.1
151.07559	0.5
153.00742	0.4
153.05450	2.5
153.09117	0.4
159.59703	0.3
161.13268	0.5
163.03917	1.2
163.07576	0.9
163.11185	1.7
163.14819	41.8
164.15143	1.8
166.02739	0.4
166.06270	8.7
166.07671	0.5
171.06509	0.7
181.05016	7.9
181.08597	30.2
181.09860	1.1
181.12260	1.5
181.15869	35.7
182.05331	0.3
182.08928	1.2
182.16183	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1587
Annotation	(3Z,6Z,9Z)-3,6,9-Dodecatrien-1-ol
Peak:m/z	Relative Intensity
51.82662	0.9
53.03928	2.7
55.01867	3.0
55.05511	10.3
57.03427	2.2
57.07064	3.6
65.03938	3.0
65.87397	0.8
67.05499	11.0
69.03411	1.1
69.06704	1.4
69.07066	18.1
69.19051	6.9
71.04991	21.3
71.08605	0.9
72.05336	0.8
79.05046	1.1
79.05492	20.6
81.07053	100.0
82.07371	2.7
83.08617	9.2
84.65142	0.9
85.06541	53.1
85.21147	0.7
86.06872	1.1
91.05471	12.9
93.07043	33.7
95.04958	3.1
95.08600	36.2
96.08955	1.9
97.06534	4.5
97.10169	2.7
98.97581	10.0
99.08088	1.2
103.05470	4.7
105.04488	0.8
105.07023	4.7
107.04949	2.7
107.08590	57.8
108.08950	2.0
109.06535	1.5
109.10147	8.7
111.04466	1.1
111.08086	2.6
116.98650	4.7
119.04899	1.1
119.08568	1.3
120.05740	1.0
121.06500	9.5
121.10139	24.2
121.10990	1.8
123.04424	0.9
123.08043	1.1
123.11761	2.0
125.05994	1.3
125.09640	3.1
134.99620	1.0
135.04379	0.9
135.08116	1.1
135.11682	12.5
136.20992	0.7
137.05952	1.5
137.13246	5.1
145.10136	2.5
148.05202	2.3
149.05989	4.6
163.03928	1.2
163.11169	3.9
163.14812	42.6
164.15149	1.1
166.06288	3.3
181.04994	5.1
181.08612	12.2
181.12340	4.8
181.15868	35.0
182.16216	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67835	0.6
53.03944	1.5
55.01864	1.3
55.05507	6.9
55.21133	0.6
55.46062	0.6
56.96578	1.5
57.03452	0.8
65.03944	1.4
67.05508	7.7
69.07069	10.0
69.10249	4.3
69.10664	1.7
71.04995	20.1
78.87271	0.6
79.05490	13.4
80.30961	0.7
81.07056	100.0
82.04221	0.7
82.07400	2.1
82.86188	0.5
83.08626	5.0
85.06544	57.7
85.34921	0.6
91.05470	6.6
93.07044	21.7
95.04961	2.1
95.08608	29.7
96.08932	0.9
97.06525	1.9
97.10175	2.5
98.97585	7.2
99.08113	0.9
103.05478	2.7
105.07035	2.3
107.04968	1.8
107.08595	39.5
109.06528	0.8
109.10158	4.5
111.08068	1.2
116.98612	3.3
121.06526	6.2
121.10140	13.5
121.10989	0.9
123.11716	1.2
125.09637	2.2
134.99683	0.8
135.08109	1.0
135.11688	8.2
137.05899	0.7
137.13284	1.9
140.04732	1.0
149.05969	4.6
153.05472	2.4
163.07567	0.6
163.11139	1.3
163.14819	38.4
164.15126	1.6
166.06206	0.8
181.04947	2.1
181.08617	4.9
181.15875	26.2
181.17497	1.3
182.16254	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.154
Annotation	(+)-Myrioxazine A
Peak:m/z	Relative Intensity
50.25410	0.8
55.01868	1.3
55.05515	7.2
56.05024	1.0
57.03431	1.7
57.07071	2.4
58.02962	30.0
67.05166	1.4
67.05505	20.4
69.07068	64.0
70.06580	2.1
70.07386	1.0
71.30186	0.7
73.48418	0.7
74.06074	1.2
78.74998	0.7
79.05493	5.7
81.07059	18.8
82.06555	0.9
82.07341	0.8
83.04982	1.4
83.08621	7.5
84.08143	8.6
86.06068	1.5
91.05472	4.4
92.00430	0.7
93.07046	10.7
95.04961	2.5
95.08605	6.0
97.06525	4.4
98.06046	2.3
98.09695	1.8
98.97575	2.0
98.98437	1.7
99.97879	1.0
100.07623	5.1
104.05836	1.0
105.07026	13.2
107.08592	17.9
108.05268	1.1
108.08890	0.8
109.06514	3.2
109.10156	49.9
110.10548	1.0
112.07622	2.1
114.09174	12.4
119.08574	1.6
121.10158	2.1
123.08121	1.6
123.11720	7.8
126.09147	11.8
126.12775	1.1
133.10130	29.1
135.11693	19.9
136.12044	1.0
137.13278	0.9
138.12788	21.2
140.10764	1.4
147.11700	4.4
151.11198	9.3
153.12755	11.7
154.13155	1.0
154.15941	1.2
164.14357	3.9
165.12799	3.4
182.15410	100.0
183.15678	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	183.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.7
53.47054	0.6
55.01870	8.6
55.05504	2.6
56.96554	1.1
57.03435	19.8
58.03758	0.8
58.06580	1.4
58.99859	1.3
60.08163	8.5
61.02639	1.0
61.02926	13.7
63.89817	0.6
67.05504	1.3
67.88531	0.6
68.98279	1.6
69.03068	1.2
69.03427	20.9
70.99846	1.5
71.01330	2.0
71.04996	4.3
71.30160	1.0
73.02914	36.0
77.00898	1.3
79.02192	0.7
81.01907	1.6
81.03421	9.0
81.06994	0.7
82.99422	0.7
82.99814	3.2
83.01346	1.0
83.04964	4.5
84.96011	0.6
85.01453	0.8
85.02898	26.4
86.01105	0.6
86.03243	1.0
86.03703	0.8
86.06070	0.5
86.09703	6.4
86.99319	1.3
87.01888	1.4
87.04469	1.6
88.02678	2.5
89.00887	1.0
90.02402	0.7
91.03924	0.7
92.02908	0.7
93.01881	3.7
94.02673	3.8
94.54153	0.7
94.99820	1.0
95.04958	2.3
96.02454	3.5
96.02954	0.6
96.04453	0.6
97.02881	23.5
98.03249	1.1
98.97561	1.0
98.98478	2.8
99.01881	1.2
99.04439	5.2
100.02647	3.6
101.00877	35.2
101.02351	1.3
101.06004	3.9
102.00987	2.2
102.02408	8.3
102.52500	2.1
103.00637	1.7
103.02465	1.2
103.03165	1.4
103.03928	0.8
104.10738	100.0
105.00336	0.8
105.01880	0.8
106.02656	1.8
107.03436	1.5
108.02398	3.3
108.52388	0.8
109.02829	5.9
110.07185	0.6
110.97578	0.9
111.02931	10.8
111.53018	1.0
112.02702	0.9
112.52680	0.7
113.00877	11.5
113.01624	1.3
113.41356	0.6
114.00974	0.7
114.02401	2.8
114.52421	0.7
115.00635	1.2
115.02409	5.1
115.03180	2.0
115.03901	1.4
117.02924	3.1
118.03551	2.8
119.01913	64.4
120.02083	2.6
120.03448	1.4
121.01631	1.3
121.03214	1.3
122.03036	0.6
123.02911	6.5
123.04345	3.0
123.06670	1.5
123.52950	1.3
124.02515	1.8
125.00001	1.6
125.02332	1.5
126.02412	0.9
126.03426	1.0
127.02429	3.1
127.03934	6.5
128.02330	1.0
129.00316	1.9
129.02899	5.5
129.03883	1.1
129.53009	1.3
130.03688	1.3
131.01898	25.3
132.01939	3.7
132.03410	4.9
132.53540	1.2
133.01634	2.3
133.03423	3.9
135.02930	2.0
136.03648	1.1
136.04564	1.6
137.02954	10.2
137.05977	0.9
138.03427	10.1
138.53493	1.7
139.02409	2.2
140.04646	1.5
141.04013	0.9
142.02399	0.7
142.03491	14.4
143.01891	30.7
144.01985	3.7
144.03448	3.2
144.53528	0.7
145.01645	1.8
145.03444	13.9
146.03519	1.5
147.01370	2.2
147.03976	2.6
148.03963	0.9
149.02995	3.0
150.03181	1.0
153.03958	2.0
155.01878	22.2
155.06978	3.6
156.01974	3.6
157.03461	10.3
158.03580	1.8
160.04549	16.2
161.02957	32.6
162.03101	3.8
162.04274	1.0
163.02693	1.8
163.04546	2.1
165.04028	0.8
165.05650	0.6
167.01900	7.5
169.03491	2.5
171.04987	1.2
173.02954	32.9
174.03076	4.6
174.04474	1.2
175.02750	1.3
175.04544	2.2
177.02518	0.7
178.05594	5.1
179.04005	2.3
179.05693	0.8
180.31229	0.7
183.05052	1.1
183.06422	3.5
184.06364	25.8
184.07935	1.3
184.09590	0.9
185.02951	24.7
186.03149	2.6
187.02733	1.1
187.04465	1.8
191.03987	3.5
196.04478	0.8
197.02965	3.3
199.04619	1.7
203.04016	11.9
204.04178	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0652
Annotation	Methyl isovanillate
Peak:m/z	Relative Intensity
51.02375	0.9
51.14493	0.3
53.03945	15.2
55.01870	3.9
57.07061	0.4
61.62675	0.4
65.03930	5.8
67.05499	8.8
70.45284	0.7
70.45628	0.4
71.04970	0.6
77.03923	2.4
79.05491	0.5
80.02615	0.6
81.03421	2.2
81.07039	0.9
83.57693	0.4
85.06532	0.5
86.77668	0.3
89.84572	0.4
91.05462	0.3
93.03397	0.6
93.07033	0.5
95.04960	100.0
95.08607	0.9
96.05292	2.6
97.06519	0.6
98.03675	0.4
98.23322	0.3
98.98460	4.4
99.04463	1.2
101.00911	0.5
101.22366	0.3
105.03406	0.7
105.04508	8.3
108.02087	1.5
109.02882	0.6
109.06543	0.6
109.10142	0.4
111.08051	0.4
119.01932	1.7
119.08604	0.9
121.03989	1.0
123.04420	84.2
124.04729	2.3
125.02348	5.0
127.01571	0.7
127.07549	0.8
133.91484	0.3
137.05971	1.3
137.09618	0.8
140.04671	33.2
141.05220	0.7
142.03476	1.1
151.03909	1.8
155.07019	18.6
156.07339	0.5
160.04512	1.5
165.09073	0.5
169.05020	0.8
183.06560	3.9
183.10199	0.5
184.07358	0.5
187.07326	0.4
196.61952	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0653
Annotation	Methyl isovanillate
Peak:m/z	Relative Intensity
51.02377	1.4
52.03162	0.5
53.03943	16.1
54.04296	0.4
55.01866	4.0
65.03939	6.4
67.05500	10.5
69.03432	0.5
70.59413	1.0
77.03926	2.5
79.05460	0.7
80.02631	0.6
81.03413	2.4
81.07058	0.9
83.04980	0.5
91.05479	0.5
93.03387	0.6
93.07034	0.4
95.04961	100.0
95.08620	0.9
96.05292	2.0
97.02885	1.2
97.06529	0.8
98.03713	0.4
98.98457	3.8
99.04482	0.6
101.00880	0.4
105.03423	0.5
105.04512	8.8
105.07015	0.6
106.04803	0.3
108.02097	1.4
109.02859	0.5
109.06499	0.7
109.10177	0.7
110.03625	0.6
111.04433	1.0
111.37181	0.3
118.06544	0.4
119.01900	1.5
119.08599	0.6
121.03957	1.1
123.04420	79.4
124.04732	1.8
125.02345	5.6
127.07569	1.1
137.03018	0.4
137.05951	1.0
137.09564	0.4
139.03845	0.4
140.04672	32.0
141.05057	1.1
142.03516	0.9
142.04562	0.3
151.03795	0.4
155.07018	16.2
156.07425	0.5
160.04533	1.1
160.51639	0.3
165.05409	0.3
168.04202	0.5
178.05722	0.5
183.06564	3.9
184.47348	0.3
196.81081	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1016
Annotation	Dihydroconiferyl alcohol
Peak:m/z	Relative Intensity
51.02377	0.4
53.03951	1.9
55.01874	2.0
55.05504	0.5
56.56650	0.2
65.03941	1.2
67.05505	2.4
69.03416	0.3
69.56575	0.9
69.57008	0.7
71.05014	0.6
77.03923	0.6
79.05492	7.4
80.05809	0.4
81.03424	0.7
81.07063	1.5
83.04979	0.3
91.05475	2.4
93.07034	0.5
94.04184	3.9
95.04967	7.4
95.08597	1.1
97.06528	0.6
98.98456	0.7
99.04420	0.3
103.05465	4.0
105.03471	0.3
105.04519	0.8
105.07027	36.1
106.07371	1.4
107.04951	0.8
108.06860	0.3
109.02899	1.0
109.06520	2.1
109.10159	0.6
111.04438	0.3
114.34486	0.2
115.05447	0.6
119.08585	0.8
121.06470	0.3
121.54060	0.2
122.03648	10.0
123.04447	4.6
123.08049	0.9
124.05289	0.6
125.02374	0.3
133.06487	26.8
134.06830	1.1
137.05972	100.0
137.09439	1.4
138.06297	3.7
140.04686	1.8
150.06723	0.4
151.03920	0.3
155.07043	0.9
160.04576	0.3
160.18414	0.2
160.19720	0.3
165.05382	0.3
165.09105	4.8
178.95998	0.3
183.06535	0.4
183.10107	0.6
183.11739	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1016
Annotation	3,4,5-Trimethoxytoluene
Peak:m/z	Relative Intensity
55.01875	0.4
55.05501	0.5
55.38299	0.2
57.03431	0.3
57.07072	1.3
66.04710	0.5
67.01864	0.9
67.05502	3.8
67.53001	0.2
69.07067	0.5
69.23453	0.2
70.46117	0.5
71.04994	1.8
79.05489	0.6
81.03425	0.4
81.07073	1.3
83.01345	4.4
85.02892	1.1
85.06535	1.0
91.05482	1.3
93.07024	0.4
94.04184	0.4
95.04962	2.1
95.08598	0.5
98.98463	1.7
99.04453	1.9
101.02362	1.0
106.14262	0.2
107.04951	0.3
109.02885	0.3
109.06539	0.5
109.10185	2.4
111.04417	0.6
112.05246	1.1
113.05985	0.8
117.07010	0.3
119.01904	0.4
119.08580	1.7
123.04423	0.4
123.07990	0.2
125.05991	0.5
127.01559	0.3
127.03916	2.0
134.56262	0.2
137.05992	0.4
137.09633	1.1
140.04678	15.6
141.05476	3.8
147.08044	0.4
153.05479	0.8
154.06267	2.5
155.10684	0.6
160.04552	0.5
165.09145	0.4
168.09192	0.2
178.05621	0.3
183.10165	100.0
184.10504	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	183.1016
Annotation	(+/-)-Asarinol B
Peak:m/z	Relative Intensity
50.33586	0.2
51.20676	0.2
53.03952	0.9
53.95855	0.2
55.01863	0.6
55.05495	0.8
57.03448	0.9
57.06854	0.2
57.07069	1.8
57.65177	0.2
59.71635	0.2
65.03931	0.5
67.05504	7.9
68.05823	0.3
69.03413	0.6
69.07056	0.9
71.04993	1.5
71.16138	0.2
71.32150	0.3
73.06543	0.7
75.06042	0.2
77.03943	0.2
79.05499	1.5
81.03385	0.7
81.07055	3.5
83.01339	4.9
83.04961	0.6
83.08599	0.3
85.02888	0.7
85.06542	0.7
85.38950	0.2
91.05483	2.6
93.07041	0.8
95.04964	4.3
95.08616	2.1
97.06511	0.7
98.98473	1.5
99.04446	2.3
99.08112	0.2
101.02387	0.6
105.04550	0.4
105.07022	0.5
107.04956	0.3
107.08591	0.6
108.02087	0.4
108.05740	0.5
109.02841	0.2
109.06539	1.5
109.10152	6.8
110.10488	0.3
111.04449	0.6
111.08051	0.2
115.60506	0.2
117.07015	0.6
119.01940	0.3
119.08588	3.2
121.06490	0.3
122.07273	0.4
123.04419	3.2
123.08072	0.5
123.11655	0.2
125.02328	0.3
125.05987	0.8
126.06799	0.4
127.03940	0.6
127.07565	0.5
136.05223	0.3
137.02257	0.2
137.05969	0.6
137.09605	2.4
137.77451	0.2
139.03899	0.3
140.04666	1.3
141.05365	0.2
141.07033	0.3
142.03511	0.3
147.08047	0.6
150.06758	0.3
153.05475	5.0
153.06851	0.4
154.06244	16.6
155.07045	1.0
155.08565	0.8
155.10637	0.5
160.04521	0.5
165.01906	0.3
165.09132	0.6
165.12633	0.2
168.07857	0.6
168.09341	1.0
183.10167	100.0
184.10507	5.8
184.12160	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1016
Annotation	Multiflotriol
Peak:m/z	Relative Intensity
53.03944	0.5
55.01873	0.4
55.05505	0.3
56.25806	0.1
56.63633	0.1
57.03425	0.3
57.07076	1.5
61.05611	0.1
61.48315	0.1
65.03938	0.3
66.04724	1.0
67.01862	1.0
67.05499	3.5
69.03423	0.2
69.07059	0.7
71.01355	0.2
71.04987	2.3
76.63591	0.1
77.03943	0.1
79.05489	0.9
81.03408	0.6
81.07046	1.6
83.01336	4.4
83.04980	0.2
85.02885	1.0
85.06547	1.4
87.15601	0.1
89.59418	0.1
91.05476	1.1
93.07030	0.5
94.04172	0.4
95.04969	3.7
95.08587	1.2
97.02879	0.2
97.06520	0.5
98.98450	0.5
99.04460	1.7
101.02385	1.1
103.05460	0.2
105.07044	0.3
107.04935	0.3
107.08607	0.2
109.02870	0.5
109.06510	0.4
109.10154	2.3
111.04444	0.8
112.05231	0.9
113.06001	0.9
117.06975	0.2
119.08576	1.8
121.53862	0.1
122.07298	0.2
123.04425	1.8
123.08058	0.3
125.05991	0.7
125.09647	0.2
127.03916	2.1
127.07548	1.5
129.06985	0.2
137.02286	0.2
137.05954	0.5
137.09607	0.7
139.03957	0.2
140.04675	19.3
141.05486	5.0
147.08049	0.3
153.05484	0.3
155.07011	0.3
155.08409	0.3
155.10635	0.7
155.57053	0.1
160.04601	0.2
165.09116	0.4
183.10161	100.0
184.10501	5.0
184.12152	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03401	0.5
69.30437	0.7
69.30843	2.5
70.06577	0.7
77.95989	0.4
80.86135	0.5
81.03429	0.4
82.99828	3.5
85.02903	0.4
90.26665	0.3
92.83154	0.4
98.22614	0.9
98.97579	1.1
101.00880	39.8
101.15932	0.4
102.00930	3.4
104.10745	1.3
109.02803	0.4
111.10052	0.4
113.00922	0.4
116.98653	0.6
119.01919	100.0
120.02006	7.8
120.02979	0.5
120.03198	0.4
121.01658	0.9
124.02422	2.1
125.02392	0.4
129.93950	0.4
131.01907	1.2
137.02956	21.9
138.03049	1.9
138.39806	0.4
139.03885	0.7
142.03497	20.7
143.01872	1.1
143.03645	3.1
144.83948	0.4
148.03917	2.2
157.03384	0.5
160.04565	4.9
161.02966	8.6
161.04686	4.1
162.03127	0.5
162.04314	1.1
166.05016	2.2
166.08656	0.6
179.04012	8.1
179.05638	1.0
184.04550	0.7
184.06194	0.6
184.09734	1.3
202.05783	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78910	0.4
58.36095	0.4
70.28551	1.4
71.33868	0.5
78.89245	0.4
82.99843	3.9
98.23253	0.6
101.00879	42.3
102.00937	3.4
103.00653	0.6
104.41764	0.4
118.03535	0.4
119.01917	100.0
120.01992	8.4
121.01633	0.9
121.02426	0.5
124.02478	2.6
125.02627	0.6
127.21040	0.4
137.02953	20.7
138.03053	1.8
142.03491	19.2
143.03662	3.4
144.03247	1.5
160.04552	4.9
161.02960	6.9
161.04659	4.6
162.04344	1.1
179.04008	8.5
179.05563	0.8
180.04083	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03813	0.5
57.03399	0.6
58.06580	0.6
60.08134	0.7
69.40726	3.8
70.06592	0.6
76.88715	0.6
82.99823	3.1
84.04501	0.5
85.02909	0.6
86.09692	0.6
94.76404	0.6
100.02438	0.6
101.00871	35.6
102.00993	2.1
104.10755	3.9
106.75706	0.5
115.02383	0.8
117.03991	0.8
119.01911	100.0
119.10928	0.5
120.01984	6.8
121.01612	1.2
124.02451	2.3
124.99992	0.8
131.01895	0.7
133.01654	0.7
133.03479	0.8
134.11224	0.6
136.07594	0.7
137.02946	24.7
138.03012	1.8
139.02467	0.6
142.03491	20.6
143.01898	1.3
143.03622	2.4
148.07587	0.8
157.03470	2.4
160.04565	6.2
161.02953	9.6
161.04677	3.4
162.03091	1.0
162.04327	1.3
166.08600	2.0
175.04596	0.7
175.06033	0.5
179.03989	8.6
179.05490	1.0
180.04167	1.1
182.11349	0.5
184.04559	2.7
184.06345	1.8
184.09644	3.9
185.02994	1.1
202.05518	0.8
203.03964	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0638
Annotation	Choline sulfate
Peak:m/z	Relative Intensity
54.45317	0.3
57.03437	0.4
58.06592	1.1
60.07862	0.5
60.08162	9.1
70.09610	0.6
70.10003	0.6
71.07368	0.8
73.02910	0.4
77.80065	0.3
86.09699	4.6
101.00893	0.7
104.10738	100.0
105.11055	2.3
117.03996	0.3
119.01921	2.0
121.53117	0.3
122.55991	0.3
124.99934	0.6
127.03931	0.3
137.02959	0.5
161.03009	0.3
184.06389	29.5
185.06769	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0322
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21515	53.7
61.84671	41.8
70.30660	95.8
70.31022	100.0
73.17641	44.9
92.81610	52.4
119.01902	46.9
128.39639	48.4
145.71045	42.2
149.78333	47.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0806
Annotation	3-Methoxy-4-hydroxyphenylethyleneglycol
Peak:m/z	Relative Intensity
55.33866	0.5
56.59747	0.4
65.03936	1.2
65.74522	0.4
67.05507	1.3
68.99784	1.8
70.57829	0.5
72.76441	0.5
75.04475	1.3
79.01853	2.2
80.02619	0.5
81.07056	0.6
81.21684	0.5
82.04202	2.7
83.04982	1.1
93.03394	1.6
95.01322	9.3
95.04965	1.6
97.06550	1.1
99.04439	1.1
102.96861	1.7
109.02873	0.8
110.03656	31.8
111.04449	8.6
120.97894	0.9
121.07607	0.9
121.10136	0.8
123.00754	0.7
123.04441	3.0
124.05190	0.7
125.05984	86.6
126.06284	2.3
127.03908	6.0
129.06964	0.8
138.03088	0.9
138.05396	0.6
138.98976	0.6
139.03900	20.7
140.04347	0.6
142.06241	1.1
142.07660	0.5
149.07120	1.8
153.05457	100.0
154.06244	43.9
155.03360	2.9
155.06755	2.1
156.04219	1.3
156.17464	0.9
157.10138	0.6
170.05750	5.8
171.06319	0.5
181.02859	0.7
185.08092	23.6
185.13280	1.3
186.08459	1.0
199.28394	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1172
Annotation	Ieodomycin D
Peak:m/z	Relative Intensity
53.03950	4.1
55.01865	14.2
55.05502	14.5
57.03434	84.4
58.44831	1.8
58.85328	1.9
59.04991	1.7
67.05498	18.4
68.99786	2.0
69.03415	2.7
69.07060	22.9
69.20272	15.9
70.64882	1.8
71.04987	49.7
78.33537	2.0
79.05487	63.9
81.07058	16.4
83.04968	10.0
83.08604	4.6
85.02883	2.1
85.06524	11.7
87.04476	6.9
91.05467	16.0
93.07039	55.8
94.07372	2.0
95.04967	27.4
95.08595	11.6
97.06532	21.3
99.04441	4.8
101.06017	3.9
105.07031	33.5
107.04990	3.0
107.06087	2.5
107.08588	100.0
109.06508	9.0
110.99033	6.8
111.04411	3.2
111.08088	12.6
113.05983	11.3
115.03941	2.2
119.06059	2.7
121.10137	65.2
123.04422	2.0
123.08089	4.2
123.11706	2.6
125.06023	11.9
125.09637	15.3
128.06232	3.2
129.06982	2.6
131.08542	18.8
139.03850	2.6
139.07556	3.4
139.11166	21.5
140.04654	2.8
142.07764	2.5
143.77133	2.1
149.07100	4.6
149.09607	70.8
153.05455	5.7
157.06541	2.5
157.10185	2.2
163.01790	2.3
165.73283	2.3
167.06995	5.7
167.10657	38.3
185.02609	3.0
185.04276	2.5
185.05779	3.1
185.11729	5.4
186.12643	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	185.1537
Annotation	Chokol G
Peak:m/z	Relative Intensity
53.00306	2.3
53.03941	2.0
55.01857	2.8
55.05509	18.0
57.03441	11.3
57.07074	7.1
59.04992	5.0
65.03915	2.3
67.05505	27.4
69.03432	1.9
69.06725	1.5
69.07071	28.0
70.29910	2.7
70.30310	3.1
71.04993	96.9
72.05305	2.4
73.06535	9.0
79.05495	28.0
81.07055	89.2
82.07371	1.8
83.04963	3.4
83.08621	15.2
85.06548	14.8
87.30576	1.3
91.05495	8.7
93.07045	71.2
95.05003	3.3
95.08608	100.0
96.08944	2.6
97.06517	11.0
97.10152	4.3
98.23187	2.0
99.08095	54.2
99.29294	1.6
105.07021	6.0
107.08594	65.6
108.08918	2.5
109.10156	33.5
111.04427	1.6
111.08076	10.4
116.61156	1.6
121.10144	44.6
123.11702	27.4
125.05946	2.2
125.09643	7.0
129.07027	1.8
137.13237	6.5
139.11185	2.5
142.07750	2.2
149.01906	1.5
149.09552	2.8
149.13249	70.9
150.13596	1.8
157.06465	2.5
167.10661	4.9
167.14323	31.9
168.14618	2.2
170.10834	1.6
185.09619	3.0
185.11806	3.6
185.13615	3.0
185.15364	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	186.0762
Annotation	2'-hydroxypyridoxol
Peak:m/z	Relative Intensity
52.42252	0.3
53.03954	1.6
55.01872	1.8
55.05510	1.0
56.05035	1.9
57.07080	0.3
60.04525	2.3
61.02923	1.1
68.05026	1.7
69.03432	3.8
69.50949	0.5
69.51352	1.1
70.02932	0.2
70.06593	2.3
71.04993	1.4
72.04510	0.8
73.02914	0.3
80.05010	2.4
81.02958	0.5
81.03420	5.8
81.03896	0.3
81.07088	0.3
82.02943	0.6
82.06570	1.0
83.01343	1.2
83.04964	1.2
84.04016	0.5
84.04507	8.5
85.02935	0.3
86.06086	0.3
88.02252	0.3
88.77203	0.2
96.04493	26.6
97.02254	0.4
97.02895	7.8
97.04778	0.3
98.03204	0.4
98.06055	14.6
99.04453	2.9
99.06383	0.3
100.03977	0.9
101.02372	0.7
102.12843	0.7
102.74379	0.3
105.07063	0.4
108.04493	2.0
109.02880	7.9
110.03242	0.2
110.06045	0.6
114.05526	2.4
116.07084	0.7
122.06023	0.5
124.03963	1.5
126.05517	27.4
127.03913	3.5
127.05876	0.7
131.08578	0.8
138.05502	100.0
139.05852	2.9
140.07024	0.5
141.06996	0.3
143.08417	0.3
144.06560	36.8
145.02843	0.5
145.05026	0.3
145.06923	1.2
145.10127	1.2
150.05460	0.3
156.06575	0.5
159.08023	0.6
159.11687	0.5
166.90944	0.3
168.06564	10.0
169.06856	0.4
186.07623	10.0
186.13625	0.4
186.18459	0.4
186.22162	3.9
187.07692	1.0
187.11191	0.8
187.14825	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.8
55.05496	1.0
55.51738	0.5
56.96561	1.4
57.03438	5.8
67.05464	0.6
68.44292	0.5
68.99726	0.5
69.03420	2.9
71.04987	2.1
72.04517	0.6
75.04469	2.2
76.45972	0.5
81.03422	0.9
83.08614	0.7
84.04505	0.7
87.04468	2.4
88.02213	3.7
91.05456	0.9
95.01327	100.0
95.04938	0.9
95.27198	0.6
96.01660	1.5
98.23302	2.2
98.97587	1.4
99.04449	0.9
104.04073	0.7
105.07019	3.3
109.02924	0.8
111.04394	0.9
113.02362	73.5
114.02711	1.5
114.09159	3.7
115.05437	0.8
116.98637	1.1
118.06534	4.3
120.27260	0.6
125.95974	0.6
127.03928	2.4
128.07089	1.1
128.10706	1.5
129.07111	0.6
131.04977	0.8
131.08539	1.2
132.04459	0.8
133.81628	0.6
141.05534	0.6
142.08635	1.3
144.05646	0.8
144.08081	1.7
146.06009	6.8
155.03387	2.1
158.07300	0.6
159.06929	2.4
159.08104	1.3
163.97691	1.5
166.16556	0.6
169.04982	5.9
170.06003	0.9
187.03802	0.9
187.07530	1.1
187.09444	0.7
187.11148	2.1
187.12698	1.3
187.14891	0.6
188.07045	4.1
188.08594	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0753
Annotation	o-Hibiscanone
Peak:m/z	Relative Intensity
53.03936	1.9
53.48035	0.7
55.01872	10.8
55.05502	1.8
56.05028	1.2
56.29418	0.8
59.04981	0.8
61.32813	0.8
65.03964	1.2
66.25841	0.7
67.05494	2.7
69.03435	1.5
69.15698	6.0
69.16115	1.6
69.33167	0.7
71.00999	1.3
71.01357	16.9
71.04983	2.9
73.02905	0.9
79.05512	2.2
80.58955	0.8
81.03397	2.2
81.07046	3.2
83.01328	2.1
83.04984	2.3
83.08661	1.4
85.02885	1.8
88.02199	3.5
91.05479	56.3
92.05806	2.2
93.07052	1.3
95.04970	0.9
95.08607	1.1
97.06532	1.0
98.23390	1.6
101.07130	0.8
103.05461	3.9
103.80236	0.7
105.07027	2.8
107.08572	2.4
109.06540	1.3
109.10151	1.4
115.05453	30.8
116.06264	16.3
117.07027	17.0
118.06586	4.0
119.05012	0.9
123.08084	1.6
125.05946	1.7
127.03995	1.3
128.06216	8.4
129.07010	25.0
130.07793	1.2
131.04922	13.8
131.08568	77.2
132.08907	2.6
133.06471	1.4
141.06985	74.7
142.06418	7.3
142.07391	3.2
144.05702	29.6
144.08080	2.2
144.09320	1.2
145.06473	6.8
145.10120	1.6
146.06004	5.1
151.11221	0.9
155.03371	1.2
155.06012	1.4
157.06499	11.9
158.07269	18.2
159.04477	1.8
159.08058	71.2
159.11670	3.1
160.08394	2.8
168.05702	1.0
169.06441	19.4
169.07668	3.3
170.05991	20.3
172.05176	2.3
172.08841	0.8
180.59824	0.8
187.07535	100.0
187.10959	4.0
188.07085	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	187.0753
Annotation	(+/-)-trans-Acenaphthene-1,2-diol
Peak:m/z	Relative Intensity
55.01869	11.8
69.03428	0.8
70.58620	0.9
71.01352	15.7
71.21867	1.7
81.03370	1.1
81.07063	1.4
83.01340	2.3
88.02215	1.2
91.05476	50.5
92.05804	2.2
103.05447	3.7
107.66853	1.0
115.04633	1.5
115.05450	31.6
116.06248	16.5
117.07037	17.7
118.06552	1.2
126.00217	0.9
128.06235	8.3
129.06999	24.3
130.07680	0.9
131.04910	13.2
131.08565	76.2
132.08932	4.4
133.06503	0.9
141.06985	72.9
142.07350	2.4
144.05692	26.7
145.06490	7.9
155.06012	1.2
157.06491	11.4
158.07254	16.5
159.08047	69.2
159.55177	0.9
160.08383	2.6
162.03047	0.9
168.05666	1.3
169.06477	16.4
169.07646	3.1
172.05199	1.0
176.94054	1.0
187.07535	100.0
188.07953	4.3
190.32829	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	1.4
55.05520	1.2
56.96570	1.0
57.03447	0.5
62.23974	0.4
65.03949	0.8
67.05503	3.5
69.03418	3.8
70.37316	0.5
71.05000	0.4
71.33266	0.6
72.08167	0.4
79.05491	7.9
79.05921	0.5
81.03431	0.9
81.07087	1.3
83.05002	1.2
83.08613	0.6
84.08153	0.6
85.02914	1.2
88.02225	3.0
91.05478	9.2
93.07056	0.9
95.04974	3.1
99.02692	0.9
101.90091	0.5
103.05498	1.4
105.04556	0.6
105.07023	12.8
107.04995	0.9
115.05443	10.5
116.06238	1.8
117.07026	7.6
118.06532	2.9
119.08577	5.0
121.06496	5.2
127.03947	1.8
128.06218	2.5
128.07042	0.5
129.06999	12.4
130.07794	4.7
131.04901	2.9
131.08557	27.6
132.08907	1.0
136.59868	0.5
140.04967	0.8
141.06981	10.3
142.06523	12.1
142.07684	1.1
143.08492	3.2
144.05682	6.6
144.08139	1.0
144.09322	8.9
145.06471	11.5
145.07552	1.0
145.10144	4.2
146.06000	4.8
146.07208	1.8
153.06982	1.7
154.07761	6.9
155.03398	0.5
155.06038	0.7
157.06482	8.6
157.10115	1.9
158.07259	50.9
159.08047	63.1
159.11673	31.0
160.08543	2.5
160.12036	1.7
169.06332	0.7
169.07631	2.1
169.10098	11.0
170.05998	26.4
170.10562	0.5
171.07965	1.4
172.08817	43.1
173.09227	2.4
187.03828	4.8
187.07648	5.1
187.11159	100.0
188.07018	8.8
188.08560	0.6
188.11607	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	187.1329
Annotation	(3R)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
53.03941	3.3
53.97601	2.1
55.05513	11.9
57.03445	3.4
57.07064	5.8
59.04983	3.7
67.05506	69.8
69.03440	3.1
69.07086	9.6
71.04996	77.4
71.31691	3.0
79.05489	18.8
81.03416	2.1
81.07059	59.2
83.04969	7.4
83.08630	3.1
85.06548	100.0
86.06857	2.8
89.72825	1.9
91.04940	3.8
91.05482	50.8
92.58421	1.8
93.07045	20.8
95.08603	9.5
97.06541	6.0
105.07038	51.1
106.07387	2.3
107.08593	36.2
108.09695	2.3
109.06509	6.7
109.10162	70.0
110.10505	2.7
111.08092	2.2
116.06236	2.4
117.07021	4.0
123.08120	2.1
123.11736	10.0
125.09663	3.4
129.07007	4.6
130.07849	2.5
131.08583	13.9
131.50304	1.9
133.10132	87.0
134.10454	5.6
141.07008	3.3
143.08542	3.2
144.05739	6.9
144.09311	4.5
145.10104	16.5
151.11185	39.3
159.08061	8.9
159.11740	8.0
169.10077	2.1
169.12282	9.4
172.05135	4.1
172.08777	4.9
187.07501	12.9
187.11200	11.9
187.14757	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	187.1329
Annotation	(3R)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
52.85125	1.4
53.03942	3.4
55.05518	8.0
57.07088	1.3
58.51092	1.3
59.05000	4.1
65.03948	1.6
67.05508	8.2
69.03434	6.5
69.07069	16.5
70.36810	4.1
71.04990	18.7
79.05495	18.6
81.03426	3.8
81.07058	100.0
82.07404	3.9
83.04991	6.8
83.08617	2.1
84.04520	9.1
84.67726	1.4
85.02922	1.9
85.06562	1.9
85.14648	1.5
87.04468	6.9
88.02197	2.2
91.05489	7.2
93.07039	7.5
95.04966	2.7
95.08602	6.1
97.06540	7.5
97.10162	2.3
98.97601	2.0
99.04453	2.9
99.08088	4.4
103.33674	1.3
105.07048	6.1
107.08590	10.0
109.02883	1.8
109.06491	3.0
109.10158	17.0
111.08070	3.1
111.11711	6.2
113.06041	1.9
115.05499	1.8
117.07011	4.2
121.10136	3.9
123.08047	2.2
123.11720	17.8
124.12041	1.5
125.09620	3.4
127.03945	8.6
129.07018	5.6
130.07704	1.4
131.04958	3.0
131.08549	10.7
133.10175	2.3
139.11171	7.6
141.05504	1.5
141.06992	4.8
142.07716	1.6
143.08539	2.5
144.05710	4.9
144.09308	2.4
145.06540	2.7
145.10129	5.7
151.11145	7.9
155.03372	6.7
155.06004	4.0
157.12280	3.5
159.04306	1.6
159.08076	9.6
159.11693	6.9
169.06451	1.5
169.08810	1.5
169.10184	3.8
169.12265	3.6
172.05173	3.1
172.08791	3.4
187.03891	3.5
187.07515	10.1
187.11188	12.7
187.14697	1.4
188.07008	1.9
198.01547	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1329
Annotation	2,6-Dimethyl-3,6-octadiene-1,2,8-triol
Peak:m/z	Relative Intensity
53.03931	3.9
55.05508	9.1
57.03451	1.5
57.07076	2.2
59.04987	4.6
61.02945	1.6
67.05509	7.4
69.03431	7.2
69.07066	24.1
70.07368	1.6
71.04989	21.9
79.05489	21.9
81.03433	4.0
81.07054	100.0
82.07397	4.0
83.04974	6.6
83.08595	3.1
84.04493	10.2
84.13276	1.7
85.02912	4.3
85.06544	2.4
87.04477	7.6
88.02220	4.6
91.05480	6.0
93.07037	4.4
95.04967	2.4
95.08607	4.9
97.06524	8.5
97.10168	2.3
98.97581	3.0
99.04443	2.4
99.08092	5.0
101.05998	2.6
105.07024	4.9
106.01674	1.3
107.08595	10.9
108.08920	1.7
109.02890	1.7
109.06516	3.1
109.10153	18.6
111.08089	4.5
111.11717	6.3
112.01569	2.9
115.05500	3.8
116.06214	2.0
116.98602	1.4
117.07030	4.0
118.06563	1.7
119.08608	2.4
121.10124	2.6
123.08102	2.2
123.11688	18.5
125.09637	1.5
127.03935	10.6
127.06467	1.9
128.02383	1.5
128.06210	2.6
129.07022	5.0
131.04988	2.8
131.08559	8.9
133.10085	2.7
139.11179	8.2
141.05460	1.9
141.06998	6.3
144.05730	4.8
144.09331	2.7
145.06458	1.7
145.10144	6.4
146.06018	3.2
149.06723	1.4
151.11182	8.6
155.03374	8.6
155.05942	2.0
157.12248	2.4
159.06937	1.8
159.08095	8.3
159.11685	9.1
169.10083	2.1
169.12276	5.7
170.06050	1.6
172.05312	2.4
172.08817	3.5
187.03864	2.7
187.07506	11.4
187.11165	15.3
187.14696	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	188.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
59.35343	0.3
67.05439	0.3
68.40481	0.3
70.02766	0.3
70.33157	0.6
71.04983	0.3
91.05476	4.6
103.05489	0.5
115.05451	6.3
115.06232	0.6
116.06258	0.3
117.05756	1.3
117.07008	4.9
118.06537	72.9
119.06889	2.1
128.04985	0.6
128.06184	0.3
132.08080	0.7
142.06520	6.5
143.07309	12.3
144.04402	1.0
144.08083	25.0
145.06477	0.7
145.08450	0.6
146.06000	100.0
147.06326	3.8
155.06049	1.0
160.07570	1.2
170.06007	8.7
188.07056	18.2
189.07376	1.0
203.65260	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0705
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
54.52539	0.3
55.43820	0.3
60.36920	0.3
70.37431	0.7
70.37792	0.7
91.05473	4.8
115.05456	6.3
117.05769	1.6
117.07015	4.6
118.06536	72.6
119.06866	2.1
127.05389	0.4
132.08058	0.8
142.06520	6.4
143.07303	12.0
144.04433	1.0
144.08081	24.2
145.06473	0.9
145.08453	0.9
146.06001	100.0
147.06358	4.3
155.06015	0.9
157.54266	0.4
160.07544	1.3
170.06010	8.8
188.07056	20.4
189.07416	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.7
57.07070	2.1
67.65102	0.4
69.70033	1.9
72.04510	0.3
82.13707	0.4
86.06070	1.1
86.09702	100.0
87.10044	2.3
91.05462	1.1
105.07020	1.1
107.04956	0.5
116.10761	0.8
121.06483	0.8
128.06236	0.9
128.10710	31.9
129.07008	2.0
129.11075	0.7
131.04910	0.7
131.08585	0.5
133.45027	0.4
142.12280	0.4
146.07289	1.3
146.11751	16.0
148.05179	0.6
157.06424	0.4
161.05975	3.6
161.09593	3.9
170.11749	13.9
174.06743	0.9
180.57356	0.4
188.12773	0.6
189.09097	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	189.091
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
53.03949	0.9
53.12957	0.5
55.01867	0.6
55.05503	1.2
63.56608	0.5
67.05508	1.1
69.02418	2.8
69.02843	2.3
70.06598	0.9
79.05480	1.3
86.09716	0.9
87.10023	1.0
91.05476	25.4
93.07047	1.0
95.04982	0.6
103.05449	3.1
104.06245	0.5
105.07026	14.9
107.04942	5.4
112.85069	0.6
115.05448	3.2
116.06245	3.5
117.07053	2.6
118.04161	1.8
118.07822	0.8
119.04954	6.1
119.08561	3.3
121.06499	9.1
128.06215	14.0
129.07002	30.6
130.07805	2.7
131.04921	15.9
131.08557	9.9
132.05681	1.8
133.02841	1.5
133.06467	2.9
133.10121	5.2
141.06940	1.1
143.08531	2.5
144.05730	3.2
145.06465	5.7
145.10172	1.0
146.03629	1.4
146.07251	24.4
147.08084	3.4
147.11726	1.8
148.05177	12.8
149.05914	1.0
149.09619	1.5
155.06018	2.3
156.05676	0.6
156.09372	2.0
157.06470	8.8
158.07310	2.6
159.04391	1.9
159.08017	3.5
159.09183	0.8
160.08794	1.9
161.05975	75.6
161.09605	88.1
161.13261	1.7
162.06317	2.9
162.09969	3.3
171.08044	2.4
171.11705	2.5
173.05989	1.0
174.06754	19.4
174.10298	1.2
175.07027	0.7
189.09093	100.0
189.12675	7.3
190.09447	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	189.091
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
51.02378	0.7
53.03944	0.9
55.01859	0.9
55.05505	1.7
55.53592	0.6
57.03429	1.1
65.03951	1.2
67.05492	2.3
69.03429	3.2
69.07055	1.1
69.45334	1.3
69.45743	2.9
70.06590	1.5
77.03915	0.7
79.05495	4.4
81.07039	1.3
83.05003	1.1
90.73685	0.5
91.05474	29.0
92.05851	0.8
93.07043	1.8
95.04964	2.4
95.08607	1.4
98.97583	0.6
103.05458	4.6
105.06319	1.3
105.07026	23.2
106.07343	1.3
107.04948	5.6
107.08582	2.5
115.05466	3.6
116.06226	4.0
117.07024	4.7
118.04172	3.1
118.07870	0.8
119.04942	6.1
119.08581	13.4
121.05708	0.8
121.06509	10.4
121.10129	2.1
128.05272	0.5
128.06201	16.4
129.06998	31.9
130.07858	2.9
130.08615	0.7
131.04926	14.4
131.08560	12.9
132.05701	1.4
133.02893	1.5
133.06468	5.5
133.10121	11.0
135.08008	0.7
141.06982	2.5
143.08554	6.5
144.05710	3.1
144.09050	0.8
145.06454	8.4
145.10117	4.2
146.03654	1.1
146.07260	21.1
146.10870	0.7
147.04373	1.9
147.08051	8.3
147.11674	9.6
148.05171	11.4
149.09613	1.5
155.06010	2.0
156.05743	1.3
156.09312	8.6
157.05458	0.8
157.06496	9.9
158.07272	2.8
159.04395	2.7
159.08031	5.5
159.09132	0.8
159.11659	2.2
160.08798	2.2
161.05974	72.4
161.09604	82.6
161.13210	5.6
162.06264	2.6
162.09964	3.4
171.08075	3.0
171.11685	9.7
173.05942	1.0
174.06763	20.1
174.10361	5.2
189.05577	4.4
189.09091	100.0
189.12686	29.5
189.16385	1.2
190.06252	1.3
190.09470	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	189.0909
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
53.03951	0.7
55.01852	1.3
55.05518	3.3
67.05486	2.5
69.03427	0.9
69.07056	4.2
71.32533	1.3
79.05498	3.7
80.63316	0.6
81.07046	5.0
81.96525	0.7
83.08630	1.4
90.18528	0.7
91.05479	12.2
93.07025	3.5
95.04972	1.0
95.08604	6.9
103.05467	3.6
105.07030	30.6
106.07345	1.2
107.04951	4.0
107.08575	4.4
109.10155	2.2
115.05447	7.6
117.07027	3.2
119.04931	1.9
119.08583	22.6
120.97382	0.6
121.06506	3.9
121.10138	2.4
128.06221	20.8
128.07195	1.0
128.48969	0.6
129.07021	10.2
130.04160	0.8
131.04944	3.7
131.08568	10.6
132.05681	2.4
132.08910	0.7
133.06490	18.8
133.10127	20.9
134.81581	0.6
141.06963	1.0
143.04979	0.8
143.08556	22.5
144.08920	0.9
145.06479	5.2
145.10080	3.9
146.07303	4.2
146.10899	2.9
147.04413	2.0
147.08047	12.2
147.11690	12.2
148.05186	13.8
149.05913	2.7
155.06078	1.6
156.09329	1.3
157.06462	3.7
158.07227	1.5
159.08057	1.6
159.11719	1.2
160.05164	2.1
160.12442	0.9
161.05977	57.1
161.09607	45.9
161.10973	1.4
161.13228	3.1
162.06329	2.4
162.09920	2.1
171.08072	10.4
171.11629	2.0
174.06754	19.1
174.10382	1.2
189.05501	2.0
189.09097	100.0
189.12695	8.3
189.16370	25.0
190.09393	4.7
190.16740	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.091
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
53.03942	1.2
55.01860	0.9
55.05503	2.1
65.03927	1.0
67.05500	1.5
69.03415	2.4
70.06564	1.9
70.67278	2.0
77.08109	0.7
79.05481	3.1
81.07052	1.4
83.04975	1.8
91.05476	27.1
93.07040	2.4
94.42214	0.6
95.04953	1.0
95.08600	1.0
103.05474	4.0
105.07025	21.1
107.04946	5.1
107.08589	1.0
110.34202	0.7
115.05470	3.7
116.06284	3.6
117.07012	5.2
118.04166	1.9
118.07764	1.5
119.04943	5.8
119.08582	13.8
121.06500	10.8
121.10132	2.2
128.06218	14.2
129.07001	30.6
130.07756	2.4
131.04921	15.5
131.08559	12.8
132.05669	1.4
133.02858	2.0
133.06470	5.3
133.10115	16.0
133.11142	1.1
135.08044	2.7
141.06998	3.2
143.08560	4.9
144.05719	3.2
144.81282	0.7
145.06480	9.5
145.10107	4.8
146.03629	1.2
146.07266	25.0
146.10880	1.2
147.04456	1.1
147.08043	9.0
147.11684	11.7
148.05176	11.0
149.09605	2.5
155.06041	0.9
155.08481	0.9
156.05682	1.1
156.09337	12.9
157.06462	10.0
158.07233	2.5
159.04425	2.8
159.08046	29.9
159.11690	2.4
160.08823	5.9
161.05975	69.6
161.09608	84.1
161.13229	7.9
162.06317	2.3
162.09955	2.9
171.08037	1.9
171.11668	15.0
173.09598	2.6
174.06781	18.0
174.10394	69.7
175.07144	0.9
175.10786	3.2
187.11240	0.7
189.05482	2.5
189.09105	95.8
189.12723	100.0
190.09460	4.5
190.13101	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	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09111	0.5
55.05509	1.9
67.05491	0.7
67.15005	0.5
69.03427	1.7
69.25423	2.0
69.25850	2.2
73.08201	0.5
79.05492	2.0
81.07056	1.1
82.16861	0.5
83.04961	1.8
91.05475	7.9
92.60930	0.5
93.07037	1.1
95.04961	0.7
103.05465	1.5
105.07038	8.6
107.04967	1.1
115.05480	0.8
116.06273	0.7
117.07014	1.9
118.04150	0.6
119.04935	1.4
119.08582	11.4
121.06498	4.2
121.10126	2.3
128.06227	4.3
129.07011	7.1
130.07799	0.8
131.04898	2.9
131.08565	4.4
133.06488	2.6
133.10123	12.0
135.08040	3.4
141.07021	2.2
143.08543	2.0
144.05675	1.0
145.06477	4.6
145.10098	2.3
145.70869	0.6
146.07263	5.8
146.10861	1.0
147.08072	6.5
147.11684	7.0
148.05177	2.3
149.09625	1.8
155.06175	0.6
156.09377	5.6
157.06453	2.5
159.04443	0.7
159.08051	29.9
160.08829	4.8
161.05980	16.8
161.09616	22.5
161.11011	1.1
161.13266	9.2
162.09914	1.2
171.11702	6.7
173.09599	2.3
174.06941	4.7
174.10397	77.3
175.10754	5.3
178.48346	0.5
184.98714	0.5
189.09119	23.6
189.12738	100.0
190.09377	1.8
190.13077	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94522	0.8
55.01857	1.1
55.05498	1.9
61.31427	0.8
64.45220	0.8
67.05510	2.1
69.03419	7.5
69.07066	2.0
70.06571	1.7
71.00047	0.9
71.00360	1.6
79.05467	2.9
81.07072	2.3
91.05478	12.0
93.07012	2.7
95.04959	1.8
103.05458	1.6
105.07023	23.5
106.07393	1.2
107.04941	1.6
107.08577	2.9
115.05466	2.8
116.06256	1.4
117.07022	6.1
119.08578	31.1
120.08831	1.1
121.06467	1.6
121.10098	1.5
128.06204	11.2
129.07005	18.3
130.07802	5.7
130.08540	0.9
131.04939	2.5
131.08559	20.3
133.06480	4.0
133.10129	11.1
135.07988	1.1
141.06976	10.7
142.07707	1.5
143.08542	12.4
144.09282	2.5
145.06464	3.3
145.10112	21.3
146.07220	4.0
146.10843	1.5
147.08067	9.3
147.11676	26.3
155.06033	1.8
155.08537	3.4
156.09334	55.6
157.06493	6.5
157.09671	3.3
158.07217	2.9
159.04427	1.5
159.08047	7.6
159.11688	11.9
160.08800	3.0
161.05972	6.7
161.08359	1.4
161.09622	19.7
161.13226	3.8
171.08064	2.1
171.11682	61.8
172.12039	3.8
174.06764	19.7
174.10397	14.0
175.07121	1.4
189.09094	36.3
189.12718	100.0
190.09364	2.8
190.13063	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	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86738	1.4
55.05501	4.6
57.61515	1.4
61.30791	1.4
67.05501	1.7
69.03432	7.6
69.07046	2.3
70.06579	3.2
71.32758	1.8
79.05466	2.8
81.07027	6.7
83.04964	3.5
84.80928	1.3
89.31203	1.3
91.05470	18.1
93.07018	5.4
95.04956	1.9
95.08565	4.3
103.05460	4.3
105.07027	32.0
107.04927	3.3
107.08565	4.1
115.05437	4.6
116.06210	2.1
117.07002	9.2
119.04900	2.7
119.08572	33.6
120.08905	2.1
121.06486	4.0
121.10118	2.1
128.06229	20.3
129.07007	31.1
130.07739	4.5
131.04892	6.9
131.08556	10.5
133.06494	6.7
133.10115	18.9
136.02147	1.9
141.06975	9.5
142.07780	1.4
143.08543	14.4
144.05640	2.4
145.06454	5.8
145.10120	21.3
146.07272	10.0
146.10823	2.6
147.04378	2.5
147.08035	14.5
147.11671	23.3
148.05133	2.5
149.02292	2.3
155.05939	1.9
156.09341	50.5
156.10623	2.4
157.06505	10.9
157.09653	2.2
158.07312	2.9
159.04445	1.6
159.08058	8.3
159.11693	12.1
160.08824	4.0
161.05972	24.9
161.09618	37.8
161.13248	5.4
162.09979	3.0
163.03259	3.3
171.08020	5.3
171.11684	60.1
172.12044	4.2
174.06763	25.7
174.10396	14.4
189.05374	3.0
189.07069	2.4
189.09100	69.9
189.12714	100.0
189.16383	11.0
190.04356	10.8
190.06114	2.8
190.09489	2.3
190.13048	6.0
195.55211	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80271	1.1
53.03931	1.6
55.05501	3.5
67.05509	2.4
69.03424	8.2
69.07060	1.3
70.28802	3.2
70.29150	1.1
74.13180	1.0
79.05481	3.3
81.07040	4.0
83.04992	2.1
91.05486	10.3
93.07030	3.8
95.04959	2.3
101.59298	0.9
105.07022	26.7
107.08577	4.6
112.62560	1.1
115.05443	1.5
117.07005	2.7
119.04890	1.2
119.08581	43.7
120.08922	2.6
121.06481	3.4
121.10147	1.1
127.41371	1.1
128.06215	3.6
129.06995	1.8
130.07771	2.2
131.08582	10.4
133.06528	5.1
133.10130	16.2
135.08051	6.5
141.06961	4.6
143.08537	5.1
145.06477	3.4
145.10110	7.8
146.07259	1.9
146.10791	1.4
147.08046	19.0
147.11670	23.2
148.12073	1.2
155.08577	1.5
156.09348	28.5
157.09718	1.8
159.08052	17.2
159.11659	4.1
160.08841	7.3
161.09625	10.2
161.13249	20.6
162.13602	1.7
171.11681	28.9
172.12004	1.8
173.09653	1.4
174.10399	38.1
175.10739	1.1
189.12737	100.0
190.13049	5.3
196.64612	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.5
55.01866	0.9
55.05497	2.4
57.03421	1.1
57.07061	0.7
59.04996	1.0
65.03929	0.8
66.95826	0.5
67.05503	2.9
69.03427	2.7
69.07064	2.8
70.06596	0.9
71.04979	0.8
79.05499	5.6
81.03426	0.5
81.07063	3.0
81.13450	0.5
83.04967	1.4
88.18781	0.5
91.05473	21.9
92.05798	0.7
93.07031	4.0
95.04970	8.0
95.08614	1.3
97.06532	3.5
103.05448	2.7
105.03429	0.7
105.07029	27.9
106.07345	1.8
107.04939	4.0
107.08583	17.9
108.08910	0.6
109.06503	5.6
115.05423	3.1
116.06219	2.5
117.07011	8.7
118.04132	1.1
119.04958	3.4
119.06163	0.8
119.08574	25.9
120.08917	1.4
121.06493	4.2
121.10162	1.2
128.06210	13.9
129.07014	21.4
130.07829	5.3
131.04924	5.3
131.08560	20.6
131.09550	1.0
132.05714	1.3
132.08957	0.8
133.06502	6.0
133.10118	9.9
141.06985	5.8
142.07788	2.6
143.08557	20.3
144.05701	1.6
144.09096	1.2
145.06508	4.3
145.10120	27.1
146.03612	0.9
146.06158	1.1
146.07256	8.9
146.10780	1.9
147.04396	0.9
147.08049	21.0
147.10527	1.1
147.11684	20.9
148.05182	4.6
148.08707	0.7
148.11996	1.0
150.35583	0.5
155.06012	0.9
155.08568	1.6
156.09337	38.6
157.06505	5.9
157.09673	1.7
158.07253	1.6
159.04408	0.8
159.08029	5.6
159.09111	0.6
159.11691	6.9
160.08871	4.0
161.05975	27.7
161.09610	41.5
161.13232	5.7
162.06358	1.0
162.09940	2.7
171.08083	1.8
171.11682	45.8
172.12012	3.0
173.09593	0.6
174.06758	10.8
174.10381	6.7
189.05476	1.7
189.09105	49.5
189.12727	100.0
190.09526	4.0
190.13092	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	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.3
55.05525	1.5
55.36493	0.3
59.05012	0.5
67.05517	0.6
69.03423	0.7
69.07072	0.7
69.49957	0.3
70.27908	0.3
70.60454	0.4
70.60785	0.7
79.05493	0.9
81.07046	0.4
83.04985	0.4
91.05479	14.9
92.05823	0.4
93.07038	1.2
95.04960	0.4
103.05460	0.8
105.07026	8.7
106.07277	0.4
107.08637	1.7
109.06513	0.4
115.05450	1.6
116.06248	4.1
117.07048	2.0
119.04881	0.3
119.08582	12.7
119.09435	0.7
120.08872	0.4
121.06512	0.8
128.06181	0.9
129.07004	4.2
130.07759	0.7
131.08565	100.0
132.08859	4.7
133.06525	0.6
133.10147	1.4
141.06969	0.5
143.08557	1.5
145.10123	4.6
146.07240	0.4
146.10881	0.7
147.08080	3.3
147.11684	31.5
148.12007	1.3
155.21245	0.3
156.09355	3.2
159.08066	0.8
159.11710	0.5
160.08798	0.6
161.05988	1.2
161.09564	1.9
161.13231	1.2
171.11699	4.2
174.10403	1.9
189.09149	1.6
189.12738	19.6
190.13080	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	189.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40937	0.3
54.04087	0.3
56.05070	0.3
56.94474	0.3
57.02263	0.4
57.04558	9.7
57.49416	0.4
60.08159	2.2
69.48632	1.8
70.06589	100.0
71.04994	2.7
71.06928	1.5
72.08151	5.7
74.07201	30.5
84.04475	0.5
84.08138	4.1
85.02928	0.6
88.07619	1.2
94.93033	0.6
97.07663	0.4
98.06062	0.4
98.23232	0.7
112.08717	2.8
112.09396	0.4
113.07126	0.5
115.08678	7.2
116.07090	34.8
117.07463	0.6
126.10273	1.1
130.04999	4.0
130.08617	1.1
133.09706	3.0
144.11311	16.7
158.09259	5.9
171.12476	0.8
172.10793	5.2
189.13463	27.4
190.13968	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1346
Annotation	L-NMMA
Peak:m/z	Relative Intensity
55.01871	1.3
57.03433	1.6
57.04557	9.9
59.13810	0.3
60.08161	5.2
67.05494	0.5
68.41615	0.4
70.06588	100.0
70.56912	0.8
70.57256	0.4
71.01357	0.7
71.04993	2.0
71.06924	1.8
72.08152	5.1
73.02909	0.6
74.07199	31.6
84.04488	0.8
84.08134	4.8
85.02898	1.6
85.06538	1.5
87.04469	1.7
88.07619	1.7
94.93024	0.5
97.07610	0.6
98.06032	0.6
101.02364	2.6
102.05554	0.6
108.04449	0.4
112.08733	2.4
115.03927	2.5
115.08688	6.6
116.07086	35.0
117.07392	1.0
126.10250	1.5
128.11861	0.5
130.05003	6.3
130.08685	2.2
133.09705	2.7
144.11311	16.5
144.13797	1.5
145.11656	0.4
148.61238	0.4
157.01318	2.0
158.09241	6.3
171.12407	0.9
172.10788	5.2
189.13461	28.9
190.14404	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	189.1637
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
55.05512	9.7
57.07067	1.4
60.53593	0.6
67.05509	7.0
69.06711	1.0
69.07069	14.4
71.33196	0.6
71.33606	0.9
79.05489	3.6
81.07063	8.5
82.07327	0.7
83.08625	3.9
91.04932	1.1
91.05478	14.3
93.07040	7.5
95.08607	31.2
95.09217	1.5
96.08926	0.8
105.07031	46.3
107.08595	14.0
109.10142	5.3
117.06992	3.2
118.07797	1.0
119.08582	66.0
120.08918	2.0
121.10149	6.6
131.08563	9.1
132.09351	1.0
133.10130	46.5
134.10490	0.9
145.10124	9.8
146.10907	5.2
147.11685	53.8
148.12032	2.3
159.11679	6.5
160.12486	4.9
161.13264	7.8
174.14058	5.9
187.14868	1.3
189.06697	0.6
189.16388	100.0
190.16705	4.8
193.90109	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1638
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
53.03946	0.9
55.05513	8.3
57.07084	1.4
65.03925	0.8
67.05502	9.1
69.07065	12.2
71.32792	1.4
79.05495	4.8
81.07056	11.2
83.08614	5.7
91.05479	12.7
93.07043	7.7
95.08605	46.6
96.08934	1.7
97.10170	1.4
103.05439	1.0
105.07029	39.8
105.31068	0.6
106.07368	1.7
107.08586	15.7
109.10164	8.3
115.05451	0.9
117.07011	2.1
118.00280	0.7
119.08579	76.7
120.08932	2.8
121.10133	6.7
128.06227	1.5
129.06972	2.4
131.04933	1.0
131.08575	8.8
133.06456	0.9
133.10126	51.6
134.10382	1.4
143.08549	1.9
145.10121	9.2
146.07266	1.0
146.10960	4.0
146.53174	0.7
147.04483	0.9
147.08067	1.6
147.11687	45.4
148.05164	1.6
148.12051	2.1
149.02313	1.1
159.11681	4.6
160.12502	3.3
161.05959	1.9
161.09624	2.1
161.13266	10.0
171.07944	0.7
174.06714	2.3
174.10406	0.9
174.14108	2.2
189.09091	9.5
189.12828	5.6
189.16386	100.0
190.16769	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	189.1637
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
53.03944	0.4
55.05503	6.1
57.07071	0.6
64.58766	0.3
65.03926	0.4
67.05501	4.9
69.07066	11.7
70.53104	0.9
79.05486	3.8
81.07050	8.5
83.08607	3.8
87.98279	0.3
91.05473	9.9
93.07040	5.6
94.07440	0.3
95.08599	30.5
96.08913	0.4
96.14827	0.3
97.41379	0.3
98.23324	0.3
103.05456	0.7
105.07022	33.3
106.07352	0.9
107.08583	11.6
108.08912	0.4
109.06451	0.3
109.10148	5.1
115.05466	1.6
117.07002	2.0
118.07818	0.5
119.08572	60.1
120.08869	1.8
121.10123	5.6
131.08562	8.5
133.10120	46.2
134.10387	1.6
135.11700	0.6
138.25478	0.4
143.08589	0.5
145.10109	8.6
146.10912	4.4
147.11673	44.0
148.11989	1.7
149.02371	0.4
159.11670	4.5
160.12482	3.8
161.05960	1.8
161.13242	8.1
174.14052	3.8
187.14803	0.7
189.05499	1.0
189.16371	100.0
190.16695	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	189.1636
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
53.03940	1.3
55.05510	7.7
57.07084	1.0
63.08759	0.7
65.03915	0.9
67.05501	7.5
69.07069	10.9
71.32428	0.7
79.05485	4.4
80.08177	0.7
81.07052	10.4
83.08611	4.3
91.05477	15.3
91.06050	0.8
93.07040	6.5
95.08604	48.6
96.08914	1.4
103.05436	0.9
105.07027	40.6
106.07378	1.2
107.08591	14.6
109.10156	8.5
117.07024	3.7
119.08577	74.8
120.08903	2.8
121.10143	6.9
126.10494	0.6
129.07007	0.8
131.08560	8.8
133.10124	51.3
134.10448	1.3
135.11674	0.7
143.08505	0.9
145.10107	7.9
146.10956	3.0
147.08064	1.5
147.11685	47.2
148.12032	2.2
152.31419	0.7
159.11682	4.7
160.12428	2.6
161.09695	0.7
161.13272	9.8
174.14032	1.8
187.14891	1.1
189.09003	1.3
189.12791	3.9
189.16386	100.0
190.16670	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	190.126
Annotation	EPTC
Peak:m/z	Relative Intensity
50.09304	0.3
50.99076	0.8
53.00317	0.4
56.96553	0.4
57.07074	25.2
58.07393	0.5
59.99107	4.4
60.50399	0.4
62.40107	0.4
64.33364	0.4
69.07079	0.5
70.19122	0.8
72.86259	0.3
73.85694	0.3
78.00151	42.0
79.05488	0.5
84.08164	0.8
86.09706	8.9
88.02184	0.4
91.05483	1.3
92.01695	1.1
103.05465	2.9
105.07031	1.1
107.08589	0.4
111.43237	0.4
115.05453	0.4
116.05325	1.1
117.07064	0.3
118.04158	0.9
119.04947	0.6
121.06562	0.3
121.10165	0.5
127.11651	0.3
130.04152	0.8
131.04924	2.6
132.05699	0.4
133.02826	0.6
134.06348	47.8
135.06648	0.8
135.11684	0.4
143.67545	0.3
147.04376	1.7
148.05208	1.6
148.07851	2.9
149.01239	0.7
149.02316	0.7
163.07481	2.0
175.03909	1.0
176.04692	1.2
190.06323	2.0
190.12596	100.0
191.06947	2.9
191.10638	0.5
191.12888	4.4
191.14415	0.8
198.56143	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45102	1.6
55.01875	2.4
55.05500	3.8
56.96562	12.8
57.03434	4.2
58.06591	5.7
67.05505	41.2
69.03432	4.4
69.07066	52.1
70.06586	20.9
71.05002	4.2
71.06925	3.7
71.32944	2.6
72.93784	8.8
74.07187	2.3
75.07497	1.7
79.05505	3.6
81.07059	8.3
84.08121	1.9
85.02906	2.0
86.03308	1.7
86.74680	1.5
90.94820	9.6
91.05486	4.9
93.07045	9.8
94.06574	2.8
95.04983	2.4
95.08604	44.7
97.06526	2.5
98.97575	4.0
100.99113	2.0
105.07030	2.8
107.08574	2.1
108.08114	2.4
108.95853	1.9
109.10151	100.0
110.09653	2.1
110.10431	1.7
111.08092	2.0
111.11710	13.1
113.96401	4.5
116.98598	2.8
119.08541	8.8
120.08891	1.6
131.00136	3.2
131.08568	6.5
131.97464	10.4
132.95862	2.5
135.11674	2.7
136.11232	7.2
137.09612	24.6
145.10173	2.7
148.97424	3.5
149.01186	8.6
149.96080	12.7
149.98489	5.1
150.96819	2.5
154.12267	40.8
155.10663	6.6
167.02322	3.6
167.97166	12.1
172.13315	49.1
172.14713	3.4
173.07243	1.7
173.13562	3.5
190.04892	2.3
190.08507	2.3
190.12366	4.3
190.14375	29.2
190.98792	4.7
191.03455	3.7
191.08223	3.4
191.10609	2.0
191.14365	3.4
191.83810	1.8
208.99820	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	191.1066
Annotation	Aristelegone A
Peak:m/z	Relative Intensity
50.48505	0.7
53.03946	1.9
55.01870	4.3
55.05504	1.1
56.96565	2.2
57.03440	1.0
57.96899	0.7
59.49783	0.6
65.03934	1.0
67.05498	6.3
67.30998	0.6
69.03418	1.1
69.07069	1.2
69.28191	1.4
69.28599	4.1
71.05003	1.5
74.94660	0.7
77.03948	0.7
79.05490	22.1
81.03423	1.3
81.07051	3.2
83.04967	3.3
91.05477	34.5
93.07042	10.1
94.72412	0.6
95.04952	5.6
95.08614	1.9
96.05743	0.9
97.06549	0.9
102.04650	0.7
103.05467	8.3
105.03439	0.9
105.07028	20.6
107.04948	10.7
107.08595	14.5
108.05792	1.0
109.06526	3.2
111.04465	0.9
115.05426	4.0
116.06234	4.7
117.07016	18.0
118.04121	1.1
119.08573	15.6
121.06499	10.3
121.10125	6.4
123.08053	1.0
128.06206	1.6
129.07005	11.1
130.04189	1.5
130.07777	6.5
131.04935	5.5
131.08562	100.0
132.05669	1.0
132.08904	2.8
133.02827	1.3
133.06509	1.5
133.10081	3.0
135.04428	4.1
135.08032	5.3
135.11719	3.1
143.08562	2.9
144.05649	0.9
145.06491	7.4
145.10121	54.2
146.05951	1.0
146.10449	1.5
147.08046	13.1
147.11653	1.5
148.05173	3.1
148.64503	0.7
149.01210	2.2
149.05971	3.7
149.09607	20.3
149.13219	1.1
149.30263	0.7
150.10004	0.8
155.06020	0.7
155.08540	5.7
158.07292	0.9
159.04436	1.3
160.05228	0.7
161.09543	1.3
162.10466	0.7
163.06171	1.4
163.07536	23.4
163.11186	8.6
164.07933	0.9
167.02281	0.8
167.07047	0.9
173.09619	27.4
173.13264	1.4
174.09969	1.1
176.04652	2.3
191.07045	6.3
191.10663	74.0
191.14264	4.9
192.11026	2.9
192.13885	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1066
Annotation	Aristelegone A
Peak:m/z	Relative Intensity
50.26852	0.6
53.03952	2.0
55.01867	3.4
55.05515	3.3
57.03432	1.6
65.03936	1.4
67.05509	8.5
69.03427	3.6
69.07069	2.7
71.04990	2.7
79.05491	24.1
80.37445	0.7
81.03390	1.7
81.07050	7.5
83.04987	4.5
83.08612	0.9
85.06541	1.1
91.05479	35.7
93.07043	14.0
95.04961	6.9
95.08611	3.6
96.05758	1.1
97.06530	1.6
98.23380	1.4
100.38698	0.8
102.04676	0.7
103.05465	4.8
104.50995	0.7
105.04552	1.0
105.07030	28.3
106.07384	0.8
107.04957	10.8
107.08594	21.8
108.05754	1.2
109.06499	4.6
109.10138	1.4
114.28504	0.7
115.05464	4.5
116.06233	4.1
117.07016	18.6
117.07809	1.0
118.04114	1.2
119.08586	16.8
121.06502	13.0
121.10140	10.8
123.08059	2.2
125.06013	0.8
128.06206	2.6
129.07007	12.0
130.04065	0.6
130.07814	6.5
131.04951	4.4
131.08566	100.0
132.05782	0.8
132.08897	2.3
133.06493	2.0
133.10123	10.7
134.10457	1.0
135.04422	3.6
135.08073	5.7
135.11711	4.4
143.08525	4.1
145.06485	10.3
145.10123	48.2
146.10486	1.5
147.08055	12.4
147.11682	3.9
148.05167	2.1
149.06010	3.3
149.09613	22.5
149.13258	3.4
153.07034	1.0
155.08533	5.6
158.07265	1.5
158.10936	1.5
159.08022	1.9
161.09442	1.1
163.03978	0.7
163.07539	21.5
163.11157	7.4
163.14816	2.0
167.07056	1.0
173.09625	26.0
173.13226	9.5
176.04547	0.9
191.06993	8.1
191.10667	74.2
191.14294	13.2
192.10995	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	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52355	0.3
53.03947	1.1
55.01625	0.3
55.01870	3.7
55.05516	1.9
57.07076	0.6
59.57670	0.2
65.03931	0.4
65.30717	0.3
67.05492	2.1
69.03426	1.4
69.07066	16.0
69.21093	2.0
71.04977	0.4
77.03932	0.6
79.05493	4.0
81.03438	0.4
81.07059	2.4
83.04982	2.1
83.08614	1.0
91.05476	7.1
93.07043	16.4
94.07369	0.3
95.04971	2.0
95.08601	4.0
97.06518	2.1
97.10153	0.3
102.04695	0.6
103.05461	6.2
105.03377	0.7
105.04511	0.4
105.07024	7.6
107.04949	1.3
107.08591	12.7
108.08919	0.3
109.06532	1.5
109.10134	1.9
111.08073	0.4
115.05419	1.5
116.06226	0.7
117.07014	3.2
118.04173	1.4
119.04913	0.9
119.06078	0.4
119.08586	4.6
120.05698	0.3
121.06502	19.2
121.10138	8.9
122.06820	0.5
122.10494	0.4
123.08073	2.7
127.07507	0.3
129.07004	0.9
130.04083	0.7
130.07796	1.1
131.04926	3.7
131.08568	8.5
132.05669	0.6
133.02843	1.1
133.06450	0.7
133.10121	7.3
135.04430	0.4
135.08044	9.7
135.11694	4.1
137.09610	0.9
143.08546	1.0
144.09328	0.3
145.06508	0.9
145.10114	6.1
146.03568	0.3
147.04393	0.6
147.08157	0.6
147.11679	25.2
148.05180	4.3
148.08876	0.3
148.12042	0.8
149.05974	0.5
149.09616	4.6
149.13255	8.3
150.13664	0.4
155.08565	0.5
158.10915	1.6
159.08035	1.5
161.09627	6.3
162.10196	0.3
163.07536	5.7
163.11150	2.7
163.14798	1.9
173.05960	0.7
173.09601	2.1
173.13261	9.6
173.14754	0.5
174.13654	0.4
176.04712	1.4
176.11980	2.3
187.60074	0.3
191.07031	6.2
191.10674	5.2
191.14304	100.0
192.07358	0.4
192.14648	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	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
51.58301	0.6
53.03954	1.8
55.01871	1.2
55.05507	4.8
56.96572	4.1
57.03429	3.5
57.07073	1.6
59.04988	0.8
65.03938	2.1
67.05500	6.7
69.03433	2.2
69.07062	13.0
71.04983	1.9
72.93784	1.4
79.05489	19.2
81.07058	7.8
83.04993	3.6
83.08626	4.4
85.06551	1.5
90.94783	1.3
91.05471	29.1
92.05790	0.9
93.07034	20.4
94.07350	0.8
95.04967	4.4
95.08606	8.6
97.06516	3.0
98.22562	2.2
98.97575	1.3
100.99164	0.9
103.05457	7.0
105.03381	1.1
105.04523	1.2
105.07023	33.4
106.07431	0.8
107.04939	3.7
107.08586	100.0
108.08913	2.7
109.06504	5.2
109.10163	4.1
111.08061	1.4
113.96420	0.7
115.05437	3.0
116.06219	2.1
117.07017	10.7
118.04163	1.1
118.06476	0.8
119.04919	2.3
119.06046	0.8
119.08569	30.2
121.06506	4.0
121.10137	35.5
123.08060	3.6
123.71379	0.8
128.06230	0.9
129.06993	4.1
130.07787	2.8
131.00130	1.1
131.04922	4.7
131.08559	44.0
131.97433	1.3
132.08836	1.6
132.95818	1.4
133.06497	1.2
133.10118	39.2
134.10435	0.9
135.04437	1.0
135.08054	10.8
135.11681	16.1
143.08549	5.8
144.09375	2.8
145.06491	1.9
145.10115	28.8
146.06012	2.0
146.10425	1.2
147.04417	0.8
147.08015	2.7
147.11688	8.3
148.05161	2.9
148.07556	0.9
148.08751	1.1
148.12253	1.3
149.01189	6.0
149.05997	1.4
149.09584	5.8
149.13234	11.4
149.96146	1.2
150.96890	2.5
158.10913	9.3
161.09608	1.1
162.05467	1.3
163.03903	1.4
163.07544	6.2
163.11197	4.1
163.14799	14.7
164.15147	0.9
167.02274	2.2
167.97131	1.1
173.09607	3.3
173.13249	42.5
174.13554	2.3
183.99469	0.8
191.03444	1.2
191.06958	7.7
191.10655	11.4
191.14291	83.4
192.06458	1.6
192.10147	1.1
192.14748	3.4
192.17435	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.00299	0.7
53.03939	1.8
55.01855	1.0
55.05510	8.7
57.03430	2.5
57.07063	2.4
59.04998	2.2
65.03928	1.2
67.05505	8.6
69.03426	7.9
69.07060	10.8
69.46034	5.4
71.04977	3.9
79.05489	11.3
81.03407	1.4
81.07056	15.3
83.04977	5.3
83.08617	6.7
85.06538	3.4
90.04715	1.0
91.05473	26.3
92.06300	0.8
93.07037	23.7
95.04960	7.7
95.08601	14.1
97.06527	8.8
97.10093	0.9
98.23337	0.9
102.04671	1.5
103.05478	9.6
105.03401	1.2
105.07028	46.1
107.04949	2.5
107.08593	37.8
107.09715	1.0
109.06505	10.1
109.10152	12.1
111.08080	1.9
115.05447	3.7
116.06254	1.0
117.06993	7.3
118.04142	3.1
119.04893	1.8
119.08574	20.9
120.05755	1.2
121.06499	9.0
121.10137	23.7
123.08054	9.1
123.11707	1.7
129.07007	5.4
130.04153	0.9
130.07787	2.6
131.04924	6.7
131.08565	47.4
132.05711	1.3
132.08926	2.3
133.02858	0.8
133.06476	2.6
133.10124	100.0
134.10457	3.0
135.08057	16.3
135.11691	6.7
137.09590	2.0
143.08585	7.3
144.09299	2.9
145.06474	2.7
145.10117	23.1
146.10466	1.0
147.04401	0.8
147.08051	1.7
147.11679	14.3
148.05208	7.2
148.08803	1.4
149.05937	1.0
149.09613	20.7
149.13260	15.1
150.13629	1.0
158.10907	14.6
158.99478	0.8
159.04436	1.1
159.06920	0.9
159.08015	4.7
159.11185	1.0
161.06052	0.9
161.09612	2.1
161.13271	0.8
162.10352	1.1
163.07558	8.3
163.11194	3.5
163.14803	5.6
173.09616	2.8
173.13254	50.1
174.13573	2.2
176.04713	2.7
176.11945	1.7
191.07007	12.6
191.10695	13.3
191.14301	67.6
192.14612	3.0
207.83168	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	2-BUTEN-1-ONE, 1-(2,6,6-TRIMETHYL-1,3-CYCLOHEXADIEN-1-YL)-
Peak:m/z	Relative Intensity
53.03947	1.8
53.41025	0.5
55.01862	2.0
55.05505	5.9
57.07059	1.5
61.69492	0.7
67.05512	4.7
69.03426	12.9
69.07066	8.7
69.39774	3.6
71.04997	1.1
79.05492	7.7
81.07053	5.4
83.04976	10.8
83.08618	2.3
85.06519	1.0
91.05473	9.5
93.07040	13.0
95.04984	4.3
95.08598	6.6
97.06526	2.0
103.05455	3.6
105.04560	0.7
105.07033	13.2
107.04946	2.1
107.08585	26.8
109.06525	4.9
109.10134	2.3
111.11638	0.6
115.05391	1.8
116.06279	1.0
117.07017	3.0
118.04112	1.0
119.05991	0.7
119.08574	7.4
121.06496	10.0
121.10142	19.3
123.08049	3.7
129.07004	1.9
130.07736	1.0
131.04921	3.0
131.08560	15.5
133.06505	1.5
133.10103	9.2
135.08054	14.4
135.11688	4.3
136.08832	1.9
137.09578	1.0
143.08575	2.5
144.09380	0.9
145.10112	8.5
147.07997	1.6
147.11667	10.7
148.05190	1.3
148.08829	2.5
149.01204	1.3
149.09613	100.0
149.13249	5.5
150.09961	4.3
158.10941	5.6
159.08086	0.8
161.09607	4.3
163.07596	3.5
163.11166	1.3
163.14809	2.8
173.09738	0.9
173.13263	12.5
176.04770	0.9
176.11914	1.2
191.03371	1.3
191.07002	5.3
191.10767	3.7
191.14302	93.4
192.14668	4.9
194.47607	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03934	1.6
53.91755	0.8
55.05510	5.4
57.03431	1.9
57.07055	1.6
64.55798	0.9
67.05496	4.8
69.03429	19.5
69.07066	7.7
69.35455	1.7
69.35867	4.8
71.04996	1.6
73.73270	0.9
79.05489	13.8
81.07053	13.0
83.04971	6.1
83.08611	2.3
91.05485	9.7
92.96645	1.0
93.07042	8.6
95.04972	1.9
95.08588	5.1
95.79169	0.8
97.06530	1.1
105.07028	17.2
107.04955	7.4
107.08591	32.1
109.10161	12.5
110.66334	0.9
115.05418	1.4
117.07043	2.0
119.06060	1.6
119.08570	6.4
121.06496	2.9
121.10143	21.7
122.07249	1.5
123.08051	2.6
129.06981	1.5
131.08565	11.5
133.10124	100.0
134.10458	2.9
135.08063	6.8
135.11710	4.5
137.09593	12.7
143.08551	3.7
144.09319	1.3
145.10118	7.4
147.11707	5.2
149.09651	2.9
149.13272	16.1
158.10909	7.7
161.09566	1.1
163.14833	4.5
173.13246	28.0
174.13591	1.1
191.14299	37.4
192.14635	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
54.83300	0.7
55.01864	1.4
55.05509	5.7
57.07061	2.0
59.66649	0.7
65.03925	1.5
67.05498	10.3
69.03066	0.7
69.03427	12.4
69.07063	12.1
71.04983	1.2
71.13515	1.5
71.13856	0.9
79.05487	12.8
81.03421	0.7
81.07048	11.8
83.04965	8.1
83.08604	3.0
84.73904	0.6
91.05472	14.8
91.60438	0.7
93.07045	16.6
94.07371	1.1
95.04963	14.1
95.08598	14.4
97.06522	8.3
103.05454	3.5
105.07027	21.2
106.07367	0.9
107.04958	7.1
107.08585	35.0
109.06513	6.3
109.10146	2.6
111.08074	2.3
114.72778	0.9
115.05420	1.7
116.06208	1.4
117.07014	7.9
119.08572	10.1
121.06496	25.4
121.10133	33.0
122.06815	1.2
122.10464	1.2
123.08056	5.5
128.06206	1.2
129.07004	2.8
130.07813	4.4
131.04907	1.9
131.08554	23.5
133.06470	2.3
133.10121	12.3
135.08037	17.6
135.11665	9.5
143.08548	6.8
144.09320	1.3
145.10109	37.4
146.10428	2.0
147.08032	3.9
147.11679	14.8
148.05156	1.4
148.08827	7.0
148.35175	0.7
149.09613	13.7
149.13240	12.5
158.07315	0.9
158.10905	8.8
161.09566	1.5
162.10344	1.3
162.42514	0.7
163.07533	1.6
163.11200	6.9
163.14815	5.7
173.09630	2.5
173.13242	21.9
174.13545	1.7
176.04700	0.9
176.11958	1.8
179.50821	0.7
191.07037	1.8
191.10707	9.8
191.14294	100.0
192.14641	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	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.1
55.01856	1.2
55.05510	7.8
57.03415	2.3
57.07050	3.2
63.74907	0.9
65.03938	1.4
67.05507	7.0
69.03427	24.8
69.07064	6.7
69.08640	8.2
69.09029	2.1
71.04968	0.8
77.03925	1.1
79.05492	18.6
81.03390	1.2
81.07053	16.2
83.04993	5.8
83.08604	2.7
85.06532	2.4
91.05468	13.6
93.07035	12.2
94.85164	0.9
95.04967	1.9
95.08601	6.1
97.06537	2.0
103.05463	1.8
105.04594	0.8
105.07020	20.6
107.04943	10.1
107.08590	43.0
108.08906	1.3
109.06494	2.6
109.10155	10.7
110.94082	0.9
115.05468	2.4
116.06226	1.5
117.06970	2.8
118.04229	1.0
118.07761	1.5
119.06066	1.8
119.08569	9.8
121.06499	5.1
121.10141	25.8
122.07248	1.6
123.08028	4.0
129.06963	1.8
130.07794	1.2
131.04797	0.9
131.08565	18.5
133.10123	100.0
134.10440	2.6
135.08038	9.2
135.11670	8.2
137.09604	13.9
142.19847	0.8
143.08556	4.6
144.09306	2.6
145.10117	10.6
147.11711	6.6
149.09610	6.2
149.13245	14.9
154.17706	0.9
158.10901	9.4
159.07948	1.3
161.09631	1.0
163.07536	1.3
163.14807	4.5
173.13261	32.7
174.13628	1.1
190.88643	0.9
191.07030	1.7
191.10695	2.5
191.14297	54.2
192.14574	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.9
55.01865	5.7
55.05508	12.2
57.03436	2.6
57.07064	4.2
59.04975	1.7
59.87196	1.1
63.13295	1.1
64.71919	1.2
65.03933	3.0
67.05503	22.2
69.03120	1.6
69.03432	19.5
69.07069	15.3
69.83229	5.3
71.04985	4.7
75.90982	1.2
77.03897	1.8
77.77047	1.3
79.05045	2.1
79.05492	35.3
81.06565	2.8
81.07053	52.5
83.04984	12.4
83.08607	3.7
85.06534	3.0
91.05473	51.0
93.07044	49.1
94.07395	1.5
95.04963	13.7
95.08607	31.7
97.06527	11.2
99.08076	1.4
103.02143	3.0
103.05429	6.6
105.07027	70.8
106.07322	2.3
106.44924	1.3
107.04959	12.3
107.08591	100.0
108.08923	4.0
109.05960	1.3
109.06523	13.5
109.10136	10.3
111.08068	4.5
115.05450	4.9
116.06235	5.4
117.07025	21.6
118.06528	3.5
119.08584	34.9
121.06502	26.2
121.10146	52.6
123.08072	9.9
129.06998	11.4
130.07803	6.4
131.04930	4.8
131.08568	95.8
132.08888	4.8
133.06516	1.6
133.10126	81.3
134.10452	2.8
135.04436	2.3
135.08049	22.8
135.11687	11.6
143.08557	9.3
144.09303	4.1
145.06459	7.0
145.07561	2.8
145.10126	58.1
146.10451	1.9
147.08034	9.4
147.11674	24.5
148.05144	2.0
148.08817	1.3
149.05998	3.8
149.09627	32.1
149.13261	26.9
155.08514	3.5
158.10944	10.8
159.08005	2.1
161.09671	1.4
161.13234	1.4
162.10403	2.1
163.07536	19.4
163.11180	10.8
163.14812	19.0
171.11635	1.4
173.07100	3.5
173.09633	19.0
173.13251	55.2
174.13527	3.1
176.12007	1.3
191.06767	2.8
191.08339	13.0
191.10672	45.0
191.14299	83.8
192.11029	2.9
192.14607	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	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03925	3.8
55.01876	1.9
55.05515	10.0
57.03419	1.9
57.07076	2.7
58.84167	1.5
67.05507	12.9
69.03428	14.8
69.07063	12.0
69.74997	2.2
69.75388	4.1
71.04984	4.6
72.17118	1.4
79.05488	18.2
80.93345	1.4
81.07060	30.2
83.04991	7.4
83.08617	4.9
85.06530	4.0
91.05476	29.1
93.07045	39.7
95.04964	7.8
95.08611	26.3
97.05984	1.6
97.06532	10.2
103.05454	11.0
105.07033	66.4
106.07374	2.2
107.04932	4.1
107.08593	76.0
108.08900	2.0
109.06517	10.1
109.10176	8.0
111.08105	3.2
115.05424	4.1
117.07027	10.4
118.04201	1.8
119.06135	2.1
119.08585	29.0
120.05658	2.2
121.06519	16.0
121.10144	42.8
122.10486	2.2
123.08092	7.4
128.10605	1.9
129.07007	7.2
131.04965	7.5
131.08566	51.2
133.10127	100.0
134.10442	1.9
135.08066	20.2
135.11681	12.9
137.09618	2.5
143.08569	7.2
144.09329	4.1
145.10124	25.7
145.88631	1.5
146.10539	1.5
147.07985	2.0
147.10570	2.4
147.11690	30.4
148.05159	5.0
149.09627	17.0
149.13260	32.8
158.10895	9.7
159.08022	3.8
161.09570	1.9
162.06686	1.6
162.10370	1.9
163.07584	7.3
163.11169	7.0
163.14799	15.7
173.09656	2.0
173.13254	52.4
174.13669	2.2
175.63599	1.6
176.04686	2.6
191.07065	9.0
191.10722	8.4
191.14317	86.2
192.14633	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	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	2.4
53.03944	5.8
55.01865	3.9
55.05505	16.0
57.03438	4.3
57.07064	6.9
65.03935	5.5
67.05501	19.8
69.03426	11.4
69.07070	23.6
71.05001	2.8
71.16694	4.2
73.29015	2.1
77.03916	2.3
79.05492	38.1
81.07059	22.2
83.04970	7.6
83.08617	10.1
85.06532	4.3
91.05477	91.7
93.07043	46.3
95.04980	15.0
95.08616	19.8
97.06522	6.6
102.04685	2.9
103.05466	23.4
105.03363	3.8
105.04571	2.1
105.07030	100.0
106.07329	3.6
107.04953	7.5
107.08591	80.5
109.05888	2.5
109.06502	14.4
109.10168	15.3
111.08098	2.5
115.05470	13.3
116.06258	10.9
117.07016	33.5
118.04123	6.1
119.04961	4.5
119.06145	2.2
119.07748	4.1
119.08578	75.2
119.09425	3.6
119.54491	2.0
120.05716	3.6
121.06515	23.2
121.10143	64.2
123.08059	8.5
123.11687	2.8
128.06216	9.0
129.06992	33.3
130.04140	4.4
130.07832	11.1
131.04936	13.6
131.08571	85.3
132.05667	4.8
132.09311	3.1
133.02852	3.2
133.06477	5.2
133.07611	2.8
133.10124	46.9
135.04468	2.2
135.08044	28.3
135.11693	14.4
137.09613	2.9
142.07764	2.6
143.08559	56.6
144.09396	13.4
145.06471	3.8
145.10123	63.6
147.07990	3.4
147.11690	35.1
148.05225	17.0
149.09601	15.8
149.13271	30.4
156.09375	3.5
158.10910	38.4
159.08047	7.6
160.05273	3.2
161.05965	2.5
161.09685	3.9
163.02457	2.0
163.07567	23.0
163.11157	9.8
163.14827	6.7
171.11711	3.0
173.05920	3.1
173.09625	6.9
173.13251	48.1
174.13681	2.3
176.04695	7.3
191.03349	2.5
191.06993	26.3
191.10669	29.8
191.14310	87.9
191.17949	6.9
192.14651	3.8
213.82710	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1793
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
55.05510	17.7
57.07060	7.6
65.03909	2.4
67.05502	19.3
69.07068	44.5
69.65568	4.5
69.65971	12.6
77.85378	2.1
79.05501	23.2
81.07057	22.5
83.08614	17.6
90.29045	2.1
91.05496	13.5
93.07042	64.3
95.05029	2.1
95.08601	82.3
97.10152	10.9
105.07041	10.2
107.08592	70.9
108.90483	3.0
109.10159	52.1
110.10483	3.9
117.58903	1.9
118.06481	2.5
119.08530	4.5
121.10142	100.0
123.11714	9.0
133.10126	4.9
135.11694	71.3
136.11989	2.5
149.13268	21.0
173.09590	2.9
173.13252	2.2
191.10677	5.4
191.14317	6.8
191.17935	88.8
192.06584	2.7
192.18326	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	191.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.7
55.05509	18.5
57.07053	5.1
67.05511	19.8
69.06705	3.1
69.07067	53.8
69.41385	12.9
77.03912	2.5
79.05497	17.5
81.07062	26.0
83.08613	18.4
91.05485	14.1
91.75625	2.4
93.07043	66.4
95.08602	75.3
97.10178	13.7
105.07010	14.6
107.08588	80.7
108.08920	2.1
108.90458	4.0
109.10156	56.2
119.08590	3.6
121.10139	100.0
122.10425	3.5
123.11668	7.5
131.08574	2.3
133.10194	2.6
135.11685	78.3
147.67206	1.9
149.13211	16.4
161.67484	2.3
163.14793	2.9
163.53285	2.3
173.13226	2.4
191.14288	6.3
191.17941	89.1
192.18257	4.6
199.37044	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1793
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
50.51912	3.7
53.03952	4.6
55.05516	20.1
56.21548	3.8
57.07087	4.1
67.05498	20.4
69.07069	38.2
71.34096	5.8
79.05495	25.3
80.08335	3.8
81.07054	34.4
83.08601	16.0
91.05466	25.7
93.07040	58.6
95.08598	72.3
97.06502	4.7
97.10159	6.6
100.63350	3.8
101.44904	3.9
104.50499	3.8
105.07047	23.5
107.08589	67.7
109.06510	4.9
109.10139	36.3
117.07016	5.8
117.46931	3.8
119.08579	7.2
121.10126	78.5
123.11729	5.7
131.08572	31.1
133.10110	7.8
135.11687	50.8
145.10135	10.1
147.11650	18.8
149.09552	8.1
149.13252	14.7
173.13277	48.9
190.58994	4.6
191.14288	49.4
191.15828	4.4
191.16174	7.1
191.17935	100.0
192.10207	5.2
192.47626	4.3
194.22923	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	191.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	16.9
57.07079	2.7
58.03398	2.1
63.88317	2.3
66.68060	2.9
67.05502	18.1
69.03421	3.8
69.07068	40.2
69.48920	2.1
71.31438	3.5
71.31799	2.6
79.05493	20.2
81.07057	21.0
81.99101	2.2
83.08627	14.0
87.18002	2.3
91.05482	15.7
93.07050	62.8
95.08606	79.1
96.08932	2.7
97.10162	14.0
105.07031	14.3
107.04919	2.7
107.08593	59.4
107.09265	4.5
108.40394	2.3
108.90445	3.2
109.10148	38.8
109.49683	2.4
111.11671	2.5
119.08536	4.7
121.06454	4.4
121.10139	76.2
122.10490	3.0
123.08047	2.5
123.11689	9.1
125.98405	2.3
131.08586	8.1
133.10132	6.8
135.08093	4.0
135.11696	58.1
145.10121	4.7
147.08148	3.0
147.11644	3.2
149.13254	11.1
162.05499	2.8
163.07501	2.6
173.09578	2.6
173.13287	7.6
191.06995	5.1
191.10680	7.6
191.14328	28.1
191.17955	100.0
192.12419	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	191.1794
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03944	1.1
55.01868	0.4
55.05509	11.8
55.05781	0.6
57.07074	2.1
65.03940	0.8
67.05503	11.2
67.05864	0.6
69.03398	0.5
69.07066	32.6
70.07402	0.8
71.05004	0.3
71.08625	0.7
71.32500	0.4
79.05490	11.4
81.07056	12.2
83.08619	11.3
85.06549	0.7
91.05474	9.3
92.05818	0.4
93.07042	44.0
94.07369	1.6
95.04950	1.2
95.08603	63.1
95.64796	0.3
96.08929	1.9
97.06539	0.4
97.10162	6.1
99.55202	0.3
103.05492	0.4
105.07020	7.7
107.04961	0.7
107.08588	47.6
108.08914	1.4
109.06479	0.8
109.10152	29.1
110.10457	0.7
111.11713	1.4
115.05435	0.5
116.06247	0.4
117.07021	1.0
119.08586	3.8
121.06499	1.2
121.10139	63.2
122.10474	2.1
123.08064	0.7
123.11713	6.6
129.06989	0.6
130.07793	0.4
131.04909	0.5
131.08565	5.9
133.06502	0.4
133.10126	2.9
135.08080	0.8
135.11687	48.7
136.11974	1.6
143.08548	0.6
144.05739	0.6
145.06499	0.6
145.10139	1.9
147.11697	6.0
149.05980	0.5
149.09563	0.8
149.13246	13.6
150.13557	0.5
158.10863	0.5
159.08064	3.8
162.13974	0.4
163.07492	0.6
163.11168	0.4
163.14786	2.1
173.06026	0.4
173.13240	4.0
191.03366	0.5
191.05501	0.3
191.06956	2.2
191.10722	3.5
191.14357	8.0
191.17935	100.0
192.18309	5.0
214.86346	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1793
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
55.05511	9.1
57.07067	1.5
67.05499	13.3
67.35397	0.7
69.07066	15.6
69.10217	5.5
69.10618	1.0
71.08645	0.6
79.05490	11.5
81.07054	53.0
82.07386	1.3
83.08611	7.1
91.05492	5.5
93.07045	18.7
95.04939	0.7
95.08604	100.0
96.08938	3.4
96.91637	0.7
97.10168	4.7
105.07053	4.1
107.08589	26.7
109.06506	0.8
109.10159	14.1
109.13926	0.7
111.11722	1.3
117.06981	0.9
119.08586	1.7
121.06493	1.6
121.10140	28.9
122.10448	0.9
123.11706	3.0
131.08540	2.0
133.10114	1.5
135.08034	1.6
135.11693	19.3
136.12062	1.1
145.10101	1.4
147.11717	1.2
149.13251	5.6
161.23656	0.7
163.11163	1.0
163.14856	1.7
173.13254	1.1
191.06943	1.8
191.10620	1.8
191.14322	5.5
191.17949	27.2
192.18324	1.2
197.59363	0.6
214.09114	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73399	0.2
67.04578	0.2
69.39326	1.2
69.39738	0.4
71.60477	0.3
76.83056	0.2
79.05481	0.4
80.27358	0.2
91.05469	0.8
95.04970	0.6
105.07021	1.2
106.07324	0.2
115.05489	0.3
118.06516	1.0
119.04851	0.3
119.08576	1.2
128.04956	5.9
132.04440	3.7
132.08911	0.4
132.95816	0.5
133.06487	0.8
146.06001	100.0
147.06345	3.5
147.08099	0.5
148.07559	0.3
149.05962	0.3
150.96861	0.3
161.05988	0.9
174.05489	2.8
192.06555	0.4
192.08488	0.3
192.13795	0.3
193.04959	0.5
193.08632	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.0654
Annotation	5-Hydroxyindoleacetic acid
Peak:m/z	Relative Intensity
62.20683	0.2
65.03983	0.2
69.70421	0.9
72.93786	0.3
78.50648	0.2
79.05482	0.6
90.94815	0.3
91.05470	0.8
97.68371	0.2
105.07024	0.8
106.06557	4.3
107.04961	0.2
118.06511	1.3
119.04889	0.2
128.04955	5.6
128.58870	0.3
132.04436	4.0
132.08925	0.2
132.95796	1.1
133.06503	0.7
137.05931	0.3
146.06001	100.0
147.06352	3.6
148.07603	0.3
150.96916	1.4
161.05942	0.6
174.05507	4.0
175.03960	0.3
190.16161	0.2
191.97244	0.3
192.06554	1.0
192.08241	0.3
192.10126	0.2
192.13882	0.3
192.17445	0.2
193.04887	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	7.1
56.05032	7.6
58.06592	5.5
59.04998	29.3
60.04504	0.6
63.67733	0.6
68.04998	1.2
68.99779	1.3
69.03415	0.6
69.07067	5.8
69.14462	5.1
70.06586	9.3
73.02910	0.7
74.06078	1.4
79.05484	4.4
81.03382	0.5
81.07052	8.0
82.06573	1.2
83.08620	0.9
85.02911	0.7
86.06050	2.5
86.09693	0.6
94.06546	1.0
96.08116	5.7
97.02855	0.8
97.08945	0.6
98.09689	86.0
98.22581	1.0
99.10002	1.2
100.07561	1.0
108.08103	1.2
112.11238	2.6
114.09163	6.6
116.10723	20.7
117.11040	0.6
129.01851	2.1
130.12280	1.1
132.10156	0.8
132.95828	0.7
134.11784	1.5
136.11186	0.6
138.12788	3.7
139.00246	1.4
150.96893	1.0
151.12057	0.6
156.13829	34.6
157.01311	1.0
157.14131	0.7
161.02982	0.7
168.53677	0.6
174.14893	100.0
175.15196	3.3
192.06538	0.9
192.15948	87.9
193.16299	2.7
207.65472	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0497
Annotation	4-METHYLDAPHNETIN
Peak:m/z	Relative Intensity
50.70733	0.1
53.03931	0.2
55.01870	0.4
55.05503	0.5
57.03429	0.1
63.02418	0.1
65.03951	0.1
67.01517	0.2
67.01862	2.9
67.05510	1.1
68.99787	1.4
69.03427	0.2
69.06837	0.9
71.04985	0.2
75.79510	0.1
77.03952	0.2
79.05491	1.3
81.03413	0.5
81.07050	0.8
83.05009	0.2
85.02903	2.0
85.06538	0.3
90.04704	0.1
91.01861	0.2
91.05485	2.1
93.07039	0.7
94.04169	0.1
95.04959	0.7
95.08613	1.1
97.06544	0.1
99.08101	1.1
103.05477	0.8
104.06233	0.1
105.03386	0.1
105.07030	6.6
106.07372	0.2
107.04957	0.5
107.08595	0.5
109.02879	0.7
109.06512	0.4
109.10155	1.5
111.00793	0.1
111.08070	0.1
115.05470	1.0
117.06976	0.1
118.04194	0.7
118.95939	0.1
119.04939	0.5
119.08608	0.9
121.10135	0.3
121.12275	0.1
123.04433	0.2
123.08058	0.2
123.11697	0.1
124.05218	0.4
125.02343	0.3
125.05997	1.7
127.03912	1.0
131.04958	0.3
131.08519	0.4
133.02863	0.4
133.06497	4.4
133.10132	3.8
133.11153	0.2
134.06818	0.1
135.08025	0.1
135.11676	0.4
137.06000	1.0
137.09602	1.4
142.07817	0.1
143.04935	0.2
143.06056	0.5
147.04405	2.4
147.08051	0.2
147.11700	1.1
148.05119	0.1
149.06113	0.1
149.09610	0.1
150.06743	0.2
151.03902	1.3
151.07539	0.2
151.11140	0.3
153.01831	3.1
161.05981	3.9
162.06293	0.2
165.05492	0.6
165.09099	0.2
169.04964	1.4
170.05228	0.1
175.03819	0.5
175.11214	0.4
175.14821	0.3
178.06285	0.1
193.04967	100.0
193.15868	1.3
194.05309	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	193.0859
Annotation	Coumaryl acetate
Peak:m/z	Relative Intensity
51.02386	1.2
53.03939	4.1
55.01875	5.0
57.03422	2.3
65.03924	3.2
66.04708	2.6
67.05485	2.1
68.99777	1.2
70.47676	2.3
74.49989	0.7
77.03925	2.2
78.04669	1.2
79.05493	37.4
81.03416	1.5
81.07054	1.9
84.51138	0.8
90.04697	3.2
91.04929	1.3
91.05481	24.9
91.06044	1.5
92.06273	4.6
93.03407	1.1
93.07031	2.6
94.04173	2.7
95.04964	6.5
103.05463	27.1
104.06265	5.6
105.03381	1.9
105.04520	2.2
105.07027	100.0
106.07367	1.6
106.88902	0.8
107.04947	18.3
107.08572	1.9
108.05779	1.2
109.06511	3.2
111.04441	1.1
115.05444	10.7
117.07021	2.7
118.04159	28.4
119.04968	6.4
119.08598	1.5
120.05727	6.7
121.06514	12.8
122.03654	3.1
122.07283	9.6
123.08096	1.0
124.05218	3.2
131.04893	4.5
132.05716	4.6
133.06487	82.6
133.10097	1.7
134.07355	5.6
135.04411	14.1
135.08058	11.8
137.05977	24.4
143.06013	1.1
146.03630	1.3
147.04407	2.1
147.08026	1.0
147.11681	1.3
148.05154	5.3
149.05991	9.8
150.06754	36.5
151.07596	1.4
161.05981	14.7
162.06409	1.0
163.03897	1.4
163.07501	0.9
165.05490	1.6
165.09113	48.3
166.09474	1.6
177.05402	1.0
178.06238	5.1
193.04930	1.9
193.08598	50.8
194.08913	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0861
Annotation	3,4,-Dihydro-6-hydroxy-4,7-dimethyl-2H-1-benzopyran-2-one
Peak:m/z	Relative Intensity
53.03949	4.3
55.01874	6.6
55.05517	9.0
55.05766	1.5
57.03429	4.8
57.07056	1.3
59.04980	1.4
65.03932	2.4
66.04724	1.3
67.05505	13.0
68.99776	3.0
69.03428	1.8
69.06710	1.3
69.07066	17.1
70.96257	0.9
71.04996	4.8
71.13560	1.2
77.03886	1.1
79.05494	31.2
81.03420	8.2
81.07061	22.3
83.01337	3.6
83.04984	3.8
83.08611	5.3
85.06541	2.6
89.03905	0.8
90.04689	2.6
91.05479	24.0
92.06264	1.5
93.03408	0.9
93.07043	17.4
94.04144	1.7
95.04427	1.0
95.04980	13.2
95.08022	1.3
95.08608	21.2
97.06528	11.0
97.10170	1.1
99.08073	2.5
103.04856	1.4
103.05472	19.5
104.06251	3.1
105.03385	2.0
105.07031	100.0
106.07359	2.6
107.04962	9.1
107.08591	19.1
108.08950	0.8
109.06522	28.6
109.10168	17.0
111.04413	1.0
111.08089	4.2
111.11742	1.8
114.40732	0.8
115.05455	15.7
117.07043	4.1
118.04163	13.1
119.04946	2.8
119.08583	24.9
120.05698	2.6
121.06535	5.3
121.10149	7.3
122.07272	2.0
123.04433	9.6
123.07174	1.4
123.08075	25.1
123.11702	5.8
124.05238	1.5
125.05994	1.1
125.09629	2.8
129.07010	3.8
131.04942	4.9
131.08571	2.3
132.05721	4.1
133.06493	73.3
133.10129	25.1
134.06828	1.4
135.04439	4.1
135.08051	7.3
135.11693	20.3
137.02307	0.9
137.05981	29.8
137.09619	11.7
143.04990	1.4
143.06029	4.6
145.10138	0.9
147.04420	2.7
147.08060	6.0
147.11690	11.6
148.05194	2.4
149.05952	4.7
149.09581	1.1
149.13272	4.4
150.06761	12.8
151.03870	2.2
151.07538	5.1
151.11168	5.3
157.06516	1.0
157.10185	1.0
160.05186	2.8
160.08842	0.9
161.02359	1.2
161.05980	48.8
162.06619	1.9
164.04616	1.2
165.05501	3.8
165.09119	42.7
165.12830	1.8
166.09460	1.5
175.07542	15.0
175.11212	5.2
175.14832	18.1
177.05603	1.3
178.02544	1.9
178.06264	8.7
178.07718	1.9
193.04973	8.3
193.08604	84.0
193.12183	7.9
193.15897	33.2
194.08873	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	193.086
Annotation	Coumaryl acetate
Peak:m/z	Relative Intensity
53.03940	4.0
55.01873	5.8
57.03428	2.5
65.03941	1.9
66.04716	2.2
77.03936	1.7
78.04704	1.3
79.05488	39.2
81.07047	1.3
90.04691	2.8
90.76308	1.1
91.05480	21.2
92.06264	3.2
93.03378	1.3
93.07036	2.4
94.04179	2.7
95.04961	3.0
98.22608	2.4
103.05464	29.7
104.06258	4.9
105.03343	1.2
105.04499	2.2
105.07028	100.0
106.07354	1.4
107.04954	17.8
107.08599	1.5
108.05697	1.4
109.06486	4.1
115.05460	8.5
117.07023	1.5
118.04160	21.5
119.04957	4.6
119.52716	0.9
120.05707	8.3
121.06500	12.1
122.03622	3.3
122.07285	8.5
124.05180	3.1
125.06002	1.3
131.04918	4.3
132.05666	3.3
133.06483	80.9
134.07336	5.0
135.04433	10.8
135.08063	12.5
137.05971	26.1
137.09589	1.1
146.80009	0.9
148.05183	7.2
148.23544	0.9
149.05946	4.0
150.06744	30.7
161.06003	5.9
165.09113	59.8
166.09421	2.0
175.07564	1.0
178.06277	5.4
178.07648	1.1
193.08591	49.8
194.08928	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0859
Annotation	Coumaryl acetate
Peak:m/z	Relative Intensity
52.02299	0.8
53.03933	3.1
55.01868	5.8
57.03430	2.1
58.52737	0.9
65.03925	2.4
66.04717	2.0
67.05480	1.2
75.73478	1.0
77.03902	1.7
77.44400	0.9
78.81923	0.9
79.05488	41.6
81.03407	1.0
81.07050	1.4
90.04679	2.4
90.45223	0.8
91.05472	22.4
92.06264	3.1
93.07030	2.4
94.04189	2.9
95.04960	5.7
102.04695	1.0
103.05460	24.3
104.06243	4.7
105.03402	1.5
105.07025	100.0
106.07388	1.9
107.04951	16.2
107.08543	1.2
108.05736	1.1
109.06496	2.6
111.04454	1.1
115.05461	8.3
117.06989	2.1
118.04156	23.3
119.04961	5.9
120.05709	6.6
120.53526	0.8
121.06499	10.8
122.03613	2.2
122.07317	8.4
124.05209	2.3
131.04909	3.4
132.05658	5.1
133.06480	77.8
134.07332	4.4
135.04404	12.2
135.08043	11.6
136.08366	0.9
137.05969	26.2
143.06038	1.0
147.04387	1.6
148.05145	5.5
149.05925	3.9
150.06750	29.4
161.06020	6.5
165.09102	55.3
166.09477	1.7
178.06221	5.6
193.08586	40.2
194.08904	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0859
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
53.03931	2.0
55.01865	3.1
55.05495	1.0
63.18380	0.9
64.34558	0.9
65.03938	1.1
66.04710	0.9
67.05490	2.5
69.07938	0.8
71.33759	1.2
78.04706	1.9
79.05485	15.0
81.03411	0.8
81.07040	1.7
91.05476	9.9
92.05026	1.0
92.06256	1.5
93.07031	3.0
95.04962	3.4
95.08599	2.1
100.89127	0.9
103.05459	16.3
104.06274	7.5
105.03381	0.9
105.07024	100.0
106.07365	2.6
106.55264	0.8
107.04972	7.1
107.08532	2.1
109.02896	1.1
109.06504	1.8
109.10113	1.4
115.05448	19.1
118.04161	13.1
119.04980	1.3
119.08589	2.2
120.05714	2.1
121.06488	2.7
121.10111	1.0
122.07260	0.8
124.05195	1.5
131.04924	5.5
132.05750	6.6
133.06483	83.2
133.10075	1.3
134.06863	2.8
135.04381	2.6
135.08058	6.8
135.11678	1.5
137.05957	4.6
137.09540	1.3
143.04955	2.0
143.06032	6.4
147.11630	1.7
148.05164	1.8
149.05991	4.3
150.06750	6.9
160.05208	2.7
161.05974	50.1
162.06364	2.0
163.07532	2.1
165.05464	1.9
165.09108	10.2
175.14839	2.4
178.06232	5.1
179.06854	1.0
193.08588	99.0
193.12224	2.1
193.15828	5.3
194.08986	4.0
194.15384	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	193.086
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
51.02365	0.5
53.03936	1.1
55.01620	0.4
55.01871	4.5
55.05505	1.1
57.03426	1.1
59.05001	0.6
63.02353	0.5
65.03934	1.0
66.04714	1.3
67.05496	1.5
68.99799	0.4
69.03416	1.0
69.07048	0.6
71.04980	0.9
71.30524	0.3
77.03927	0.7
78.04707	0.3
79.05491	14.6
79.05952	0.7
81.03408	0.7
81.07052	4.4
83.04984	1.5
85.02908	0.5
85.06550	0.3
89.03911	0.7
90.04694	1.4
91.05482	12.3
91.06060	0.6
92.02634	0.4
93.07052	2.5
94.04179	0.7
95.04971	3.5
95.08607	1.4
97.02892	0.9
103.04765	0.5
103.05466	15.9
104.06240	1.2
105.03396	1.3
105.07027	100.0
106.07364	2.6
107.04946	2.3
107.08590	2.8
109.06516	6.6
109.10135	1.3
115.05453	22.3
116.05783	0.5
117.07017	1.2
118.04156	12.3
119.04990	1.6
119.08578	7.9
121.02894	0.4
121.06483	1.5
121.10123	0.6
122.03635	1.2
123.04433	0.8
123.08040	1.3
129.07004	1.3
130.04131	0.4
131.04926	3.7
131.08571	1.7
132.02081	0.4
132.05696	1.8
133.02852	7.5
133.06485	79.9
133.10120	15.5
134.06818	2.3
134.10457	0.4
135.04411	0.6
135.08060	2.7
135.11720	1.1
137.05989	3.8
137.09607	1.8
142.07817	0.4
143.04889	2.2
143.06046	7.1
145.06421	0.4
145.10086	0.4
147.04398	2.0
147.08031	2.6
147.11684	5.5
149.05980	1.8
149.09636	0.6
150.03123	4.8
150.06708	0.5
151.03908	0.4
151.07523	1.6
151.11168	2.5
157.10110	0.6
160.05232	0.5
160.08827	1.4
161.05972	78.5
162.06290	3.1
163.07523	0.9
165.05478	2.4
165.07199	0.4
165.09088	1.1
165.12744	0.7
175.03891	0.4
175.07596	1.9
175.11185	6.5
175.14854	0.7
178.02609	17.5
178.06267	1.2
179.03017	0.3
193.04968	29.7
193.06770	1.7
193.08574	15.2
193.12196	8.5
193.15848	0.7
194.05328	1.2
194.08951	0.6
208.18413	0.3
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	Coumaryl acetate
Peak:m/z	Relative Intensity
51.02370	0.8
53.03950	4.3
55.01879	4.8
55.03737	0.6
55.40110	0.6
57.03438	2.1
61.59526	0.7
63.01053	0.7
65.03942	2.9
66.04716	2.1
67.05522	1.7
69.41924	4.8
72.98909	0.6
77.03918	1.9
78.04709	1.2
79.05492	37.6
80.05831	0.9
80.06279	0.6
81.03429	0.7
81.07027	0.7
84.33526	0.8
89.81136	0.6
90.04700	2.7
91.04933	1.2
91.05481	23.3
92.06273	3.8
93.03403	1.4
93.07049	1.9
94.04185	2.6
95.04963	4.9
103.05466	26.5
104.06305	5.2
105.03391	1.1
105.04525	2.2
105.07027	100.0
106.07353	2.7
107.04956	16.6
107.08611	1.4
109.06508	4.1
111.04430	1.3
115.05454	9.4
117.06998	2.4
118.04161	24.3
119.04966	5.6
119.05978	0.7
120.05714	9.4
121.06511	12.3
121.89248	0.7
122.03616	3.5
122.07303	9.0
124.05210	3.8
131.04927	4.5
132.05724	4.9
133.06487	78.1
134.07335	5.6
135.04411	14.3
135.08054	11.9
137.04922	1.4
137.05969	27.3
137.09569	1.3
145.06429	0.7
147.04460	1.7
147.07982	1.1
148.05161	5.7
149.06003	3.9
150.06752	32.6
161.06032	3.2
165.09113	57.6
166.09447	2.7
178.06296	4.8
193.08597	44.5
194.08960	1.3
197.58885	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.086
Annotation	Coumaryl acetate
Peak:m/z	Relative Intensity
51.02390	1.0
51.23668	1.1
53.03945	6.1
55.01866	4.7
57.03440	4.7
60.62313	0.9
61.55706	0.9
63.02340	1.1
65.03932	2.5
65.39680	1.0
66.04722	5.4
67.05489	1.5
68.53652	0.9
69.03410	1.0
70.59348	2.0
75.04452	1.2
77.03946	1.4
78.04713	1.3
79.05029	2.2
79.05488	41.3
81.03384	1.5
81.07047	1.5
84.96301	0.9
89.03925	1.5
90.04697	6.6
91.04921	1.8
91.05479	25.7
92.02600	1.1
92.06252	3.3
93.03385	1.1
93.07042	3.6
94.04169	2.7
95.04977	7.5
96.05746	1.2
97.25417	1.0
98.93031	1.0
102.04659	1.3
102.10833	0.9
103.05462	34.6
104.06297	5.5
105.04561	2.3
105.07027	89.5
106.07363	3.0
107.04956	17.6
107.08580	1.8
108.05730	2.9
109.02880	7.0
109.06530	5.4
111.04412	1.0
115.05460	10.1
117.07004	2.9
118.04158	73.4
119.05002	9.9
119.08566	1.2
120.05733	9.6
121.06516	16.0
122.03638	2.1
122.07275	11.5
123.08094	1.4
124.05201	19.8
125.05981	1.3
131.04942	5.3
132.05681	4.4
133.06485	100.0
134.07329	9.4
135.04427	12.9
135.08051	13.4
137.05960	15.6
137.09604	1.6
141.25684	0.9
143.04921	1.1
143.06029	1.0
144.46808	1.0
146.03613	1.1
147.04395	1.7
148.05186	3.7
149.06007	5.8
150.06760	35.2
150.57091	0.9
151.07570	7.0
161.05971	13.5
165.09113	44.6
175.07559	1.6
178.06236	4.7
180.55016	0.9
193.08595	41.2
193.10362	2.1
193.15846	1.1
194.08954	1.7
194.15266	1.0
209.09462	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0859
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
51.02375	1.0
52.38332	0.5
53.03717	0.6
53.03942	3.0
55.01877	5.2
55.05508	1.5
57.03436	1.3
59.88086	0.6
60.32645	0.6
65.03951	1.7
66.04720	2.2
67.05501	3.9
69.03413	1.4
69.07088	0.8
69.38792	4.3
71.01331	0.6
75.10799	0.5
77.11642	0.5
79.05492	26.6
81.03413	4.9
81.07063	3.1
83.08597	1.1
89.03896	0.7
89.80589	0.7
89.90691	0.5
90.04695	3.1
91.05474	17.0
92.05771	0.8
92.06267	1.6
93.03408	0.7
93.07055	2.9
94.04193	1.4
95.04963	7.4
95.08594	2.7
95.74126	0.6
97.06532	1.0
98.23300	0.8
98.64291	0.5
103.05463	22.9
104.06246	2.4
104.16345	0.6
105.04515	2.3
105.07027	100.0
106.07343	2.7
107.04943	9.0
107.08595	2.0
109.02883	1.3
109.06524	2.4
109.10152	1.2
111.04436	0.9
115.05448	17.2
117.07005	0.9
118.04152	29.2
119.04985	4.4
119.08593	2.9
120.05729	4.5
120.19559	0.6
121.06513	7.0
121.10159	0.9
122.03698	1.1
122.07278	4.0
123.04417	1.4
123.08102	1.4
124.05203	5.0
129.06970	1.2
131.04930	4.1
131.08525	0.6
132.05713	3.7
133.06483	83.8
133.10071	3.8
134.07219	3.0
135.04416	6.6
135.08069	6.2
135.11674	1.3
137.05960	9.7
137.09601	1.1
143.04947	1.3
143.06012	5.5
146.06773	0.7
147.04416	1.6
147.08043	1.1
147.11694	1.7
148.05138	2.5
149.05966	9.4
149.09697	0.7
150.06755	21.8
151.07512	2.2
157.10095	0.7
160.05193	1.0
161.05971	58.8
162.06337	2.1
165.09105	18.8
172.25192	0.7
175.07539	1.7
175.11176	0.7
175.14816	1.7
177.05406	0.7
178.02721	0.7
178.06252	3.3
193.04936	2.1
193.08583	31.0
193.12253	4.8
193.13858	0.8
193.15880	2.6
194.09029	1.3
194.15370	1.8
195.80331	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.086
Annotation	Coumaryl acetate
Peak:m/z	Relative Intensity
51.02399	0.9
53.02230	0.6
53.03942	3.3
55.01872	4.4
55.05506	1.3
57.03432	1.1
59.16674	0.6
65.03937	1.4
66.04720	1.9
67.05507	3.8
69.03416	1.4
69.07079	1.0
69.16869	5.1
69.46377	0.6
71.05001	0.7
77.03963	0.8
78.04708	0.9
79.05492	26.9
80.05811	0.8
81.03415	3.0
81.07059	2.9
85.06535	0.7
90.04712	2.1
91.05483	18.4
92.06276	1.8
93.03391	0.8
93.07060	3.9
94.04215	1.3
95.04969	6.5
95.08621	2.6
103.05470	23.7
104.06256	2.5
105.03413	1.1
105.07030	100.0
106.07376	2.2
107.04952	8.6
107.08595	2.9
108.05758	0.8
109.02879	1.6
109.06508	2.8
109.10147	1.4
115.05457	18.8
117.06989	1.2
118.04163	24.3
119.04988	4.4
119.08591	5.0
120.05716	4.2
121.06530	5.8
122.03660	1.2
122.07289	3.5
123.04429	1.1
123.08047	2.1
123.11700	0.9
124.05193	2.5
127.90320	0.7
129.07004	1.3
131.04948	4.4
131.08592	0.9
132.05733	3.0
133.06491	88.6
133.10100	3.2
134.07372	3.0
135.04398	5.5
135.08064	7.5
135.11679	1.6
137.05988	10.6
137.09650	1.1
143.04936	1.1
143.06041	4.3
147.04399	1.7
147.08052	1.6
147.11696	2.4
148.05167	1.7
149.05971	9.3
150.06767	22.6
151.07507	2.5
151.11143	0.7
160.05185	1.3
161.05980	57.6
162.06299	1.5
165.09117	22.8
175.07521	2.0
175.11163	1.0
175.14803	1.5
177.05415	0.9
178.06255	2.8
178.07640	0.7
193.04997	4.6
193.08592	35.6
193.09839	1.5
193.12180	4.5
193.15793	3.2
194.09134	1.8
194.15396	1.5
211.02287	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.086
Annotation	Coumaryl acetate
Peak:m/z	Relative Intensity
51.02369	1.5
53.03946	5.5
55.01861	3.9
57.03433	5.6
60.23742	0.7
65.03938	2.4
66.04729	6.4
67.05495	1.8
69.03418	2.1
69.57228	2.1
69.57638	2.6
71.04971	0.9
75.04475	1.6
77.03916	2.9
78.04697	1.8
79.05491	40.4
80.05812	1.1
81.03402	2.4
81.07025	1.4
89.03889	1.7
90.04704	9.7
91.05477	26.2
92.02585	1.1
92.06261	3.9
93.03384	1.0
93.07027	2.1
94.04171	2.6
95.04968	8.3
95.08607	1.0
96.05686	1.2
103.05466	41.9
104.06281	4.4
105.03384	1.0
105.04532	2.2
105.07027	74.5
106.07330	2.0
107.04256	1.2
107.04948	18.1
107.05667	0.9
107.08564	1.3
108.05776	4.1
109.02867	12.5
109.06528	7.6
109.10152	0.8
115.05461	9.1
117.07022	1.6
118.04156	100.0
119.04987	12.6
119.08559	1.1
120.04929	1.1
120.05717	11.5
121.02885	1.4
121.06515	19.2
122.03669	1.4
122.07313	10.6
123.08047	1.7
124.05208	32.1
131.04922	5.7
132.05658	4.1
133.06485	89.1
134.07318	10.8
135.04414	16.2
135.08044	16.3
135.11702	1.2
137.05945	6.3
143.06056	0.8
146.03586	1.5
147.04396	2.8
147.11723	1.1
148.05190	1.3
149.05946	4.1
150.06760	41.6
151.03947	1.0
151.07516	9.3
160.05222	1.3
161.05969	18.0
162.06779	4.4
163.03951	1.3
163.07545	2.2
164.08325	1.3
165.09109	40.2
166.09435	1.5
175.07477	2.6
178.06250	2.1
193.08591	30.5
193.15932	2.1
194.09026	1.1
194.11803	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	193.0859
Annotation	Coumaryl acetate
Peak:m/z	Relative Intensity
50.01600	0.6
51.02375	1.0
53.03947	3.0
55.01882	4.6
55.05510	2.0
57.03447	1.2
57.70538	0.6
59.04991	0.7
65.03940	2.8
66.04729	1.3
67.05505	2.5
69.03436	0.8
69.07086	0.8
69.46889	1.8
69.47318	2.5
77.03929	1.0
78.04678	1.5
79.05488	28.0
81.03421	2.4
81.07071	2.8
85.74218	0.7
89.03905	0.7
90.04697	2.4
91.05479	24.4
92.02624	0.7
92.06261	2.7
93.03375	0.7
93.07044	3.1
94.04190	2.4
95.04964	6.1
95.08607	1.4
97.06504	0.6
98.22652	1.4
103.04758	0.9
103.05468	19.7
104.06265	4.1
105.03420	1.5
105.07026	100.0
106.06635	0.7
106.07373	2.5
107.04940	9.6
107.08591	2.2
109.02851	0.9
109.06513	3.7
109.10136	1.1
111.04425	0.9
112.25743	0.6
115.05444	12.8
117.06966	1.7
118.04154	17.2
119.04950	4.3
119.08582	4.9
120.05731	4.5
121.06528	8.2
121.10208	1.3
122.03644	2.5
122.07279	6.1
123.08058	1.1
124.05208	1.5
128.25351	0.6
129.06950	1.1
131.04906	3.9
131.08572	2.0
131.48383	0.6
132.05707	4.1
133.02885	2.1
133.06487	73.6
133.10121	18.6
133.11119	1.1
134.07323	3.0
134.94775	0.6
135.04408	7.9
135.08063	6.8
137.05963	16.0
137.06999	1.1
137.09659	1.2
142.07790	2.5
143.04988	1.2
143.06055	3.5
145.10088	0.9
146.03726	0.7
147.04378	6.4
147.08012	2.0
147.11667	5.6
148.05174	3.3
149.02357	3.0
149.05956	6.7
150.06758	20.1
151.07536	1.1
151.11191	0.9
157.10136	5.8
160.05220	0.9
161.05974	32.8
162.06354	1.1
163.04005	0.7
163.07585	1.0
165.05479	0.8
165.09109	29.7
166.09511	0.7
175.07492	1.4
175.11157	4.4
178.02629	1.6
178.06261	5.4
193.04982	8.1
193.08588	54.2
193.12173	5.4
194.08916	1.7
194.15427	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1223
Annotation	Ibufenac
Peak:m/z	Relative Intensity
53.03943	0.5
55.01858	0.5
55.05511	1.6
55.49105	0.3
57.03426	1.6
65.03944	0.7
67.05509	1.0
69.03435	1.5
69.07070	0.6
70.34304	0.9
70.34653	0.3
71.04963	0.4
77.03919	0.5
79.05494	3.3
81.03413	0.5
81.07048	1.1
81.99172	0.2
83.04984	0.4
83.08609	1.2
90.71770	0.3
91.05471	23.8
92.05788	0.7
93.07037	4.7
95.04971	1.7
95.08575	0.6
102.98153	0.3
103.05455	2.1
104.06264	0.4
105.04520	0.5
105.07021	21.1
105.51273	0.3
106.06549	0.2
106.07323	0.6
107.04933	0.8
107.08577	2.0
109.06506	3.4
109.10139	0.4
111.04443	0.4
111.08072	0.7
114.03454	0.3
115.05441	4.5
116.06238	0.6
117.06998	2.1
118.04161	1.2
119.04931	0.9
119.08571	11.0
120.08921	0.3
121.06499	4.5
121.10130	2.1
122.82899	0.3
123.08042	0.8
123.11675	0.5
128.06247	0.8
129.06999	6.2
130.07822	0.3
131.04881	0.8
131.08548	8.5
132.05714	0.5
133.02843	0.4
133.05655	0.2
133.06476	10.3
133.10118	10.5
134.10425	0.3
135.08049	1.2
137.05977	1.1
137.09618	0.3
141.06960	5.8
142.07767	53.9
143.04959	0.3
143.06049	0.7
143.08090	2.2
145.06473	1.5
145.10114	5.1
146.07231	0.8
147.04359	1.3
147.08046	2.7
147.11668	6.1
148.12041	0.4
149.02321	0.5
149.09607	8.5
150.03070	0.8
150.09972	0.4
150.14731	0.3
151.03897	0.7
151.07527	0.6
151.11154	0.9
155.08534	0.6
157.10112	100.0
158.10446	4.6
159.07996	0.8
160.05191	0.3
160.08810	2.9
161.02327	0.4
161.05957	5.7
162.06406	0.4
165.05482	0.4
165.09023	0.6
165.12746	0.8
169.07576	0.7
173.09593	0.3
175.11169	40.6
176.11453	1.7
178.02585	2.9
178.06215	0.4
193.04950	8.8
193.06802	0.6
193.08577	5.6
193.12225	16.4
194.05397	0.6
194.08034	0.3
194.12614	0.4
194.15414	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	193.1224
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
53.03938	4.5
55.01871	8.3
55.05512	9.5
57.03440	46.2
57.07076	1.3
57.18399	1.0
65.03940	3.7
65.54662	1.0
66.04721	2.1
67.05508	25.0
69.03429	4.9
69.07070	4.2
71.05001	2.0
71.32377	1.8
76.02266	1.0
77.03905	1.1
79.05042	2.0
79.05494	34.0
81.03419	47.6
81.07058	19.7
83.04979	4.4
83.08620	8.4
85.02902	1.5
85.06542	4.6
85.19472	1.1
86.55205	1.0
91.05481	52.5
92.05787	2.0
92.06293	1.2
93.07045	31.4
94.07354	1.0
95.04967	25.9
95.08609	9.9
97.06519	6.1
97.36594	1.1
97.85299	1.2
103.05470	14.5
104.06300	1.6
105.03404	2.6
105.04536	2.3
105.07031	100.0
106.07368	3.0
107.04959	10.9
107.08599	9.9
109.02908	1.6
109.06535	10.6
109.10157	11.2
111.04411	2.8
111.08070	2.3
115.05467	11.9
115.12677	1.0
117.07021	7.1
118.04163	13.4
119.04943	7.3
119.08580	63.5
120.05299	3.9
120.08955	2.9
121.06505	29.1
121.10145	4.3
122.03767	1.1
122.07298	3.3
123.04431	2.5
123.08094	2.5
123.11693	1.7
124.05154	1.6
128.06242	1.8
129.07002	6.8
131.04919	3.6
131.08563	6.3
132.05699	2.1
133.02866	4.8
133.06491	53.8
133.10129	40.6
133.93806	1.2
134.06866	1.5
135.04434	4.1
135.08058	6.8
135.11693	2.5
137.05995	11.9
137.09618	25.1
142.07741	5.9
143.06075	2.5
145.06487	1.7
145.10178	2.2
146.07307	2.3
147.04442	1.2
147.08058	11.6
147.11682	30.7
148.05202	2.0
148.11955	1.2
149.05977	2.5
149.09613	4.0
149.13333	1.3
150.06760	10.0
151.07544	2.6
151.11169	1.9
157.10139	10.0
160.08804	6.0
161.02345	3.0
161.05980	21.5
162.06441	1.6
165.05472	1.6
165.09105	17.5
165.12769	2.4
175.07611	1.1
175.11188	33.0
175.14809	3.0
178.02687	1.6
178.06252	1.6
193.04961	8.5
193.08595	26.6
193.10182	1.5
193.12257	24.6
193.14203	3.3
193.15782	6.6
194.09312	1.2
194.15411	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	193.1587
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
50.96400	1.4
53.03941	2.3
55.01870	2.0
55.05513	27.0
57.07079	6.9
59.04993	3.5
65.03931	1.8
67.05163	2.5
67.05504	33.2
69.03425	13.5
69.06715	1.6
69.07068	26.2
69.38905	6.4
69.39307	2.4
71.04987	5.1
71.08624	2.1
79.05498	10.4
81.07057	38.2
83.04987	28.3
83.08621	18.6
85.06546	5.9
87.08099	1.6
91.05477	15.8
93.07050	27.1
95.04948	3.9
95.08605	69.7
96.08916	2.6
97.06525	4.4
97.10135	3.4
98.22630	1.5
99.08087	4.5
103.05492	1.9
105.07040	26.5
107.07858	1.1
107.08594	59.7
109.06517	21.9
109.10154	88.8
110.10479	2.9
111.08096	13.8
117.07011	2.4
118.04192	1.4
119.08582	72.0
120.08816	1.4
121.10146	39.0
122.10503	1.4
123.08066	50.7
123.11700	15.6
125.09637	3.4
131.08563	1.8
133.06538	2.8
133.10126	58.4
135.11688	100.0
136.12015	2.1
137.09616	38.7
137.13298	1.5
138.10382	5.3
138.39613	1.2
145.10153	1.7
147.11688	4.5
149.13248	25.0
151.11169	13.9
151.14818	11.8
161.05911	1.7
165.12689	1.6
165.16408	4.1
175.14821	57.5
176.15179	2.7
190.92232	1.1
193.08659	1.8
193.15881	98.8
194.16174	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	193.1587
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
51.06799	1.5
53.03937	4.6
55.01860	5.0
55.05511	16.4
57.03432	4.1
57.07063	4.5
60.00718	1.5
65.03928	2.4
67.05502	27.7
68.99763	2.5
69.03434	9.5
69.07059	14.2
71.04990	3.8
77.03979	1.6
79.05492	32.3
81.03413	4.6
81.07053	39.1
83.04971	14.9
83.08612	11.2
85.06534	13.5
85.24348	1.5
89.19814	1.6
90.04715	2.5
90.35397	1.5
91.05471	30.2
93.07040	18.9
93.14761	1.4
95.04967	8.0
95.08601	50.7
95.09215	2.6
96.08965	1.7
97.06515	3.8
97.10162	2.0
99.08076	1.7
103.05470	15.7
104.06271	3.3
105.03380	3.5
105.07027	100.0
106.07350	2.2
107.04936	6.1
107.08589	33.9
109.06517	21.2
109.10150	49.6
111.08064	4.4
115.05440	17.8
117.07007	2.8
118.04156	22.6
119.04910	4.6
119.08574	42.8
119.09418	2.9
120.05702	2.8
121.06496	6.4
121.10129	21.3
122.03633	2.3
122.07294	3.1
123.04416	12.0
123.07249	2.8
123.08071	31.6
123.11676	8.1
124.05217	3.3
125.09612	2.3
129.06995	3.7
131.04942	4.2
131.08560	2.6
132.05710	2.3
133.02861	5.5
133.06487	67.5
133.07503	3.4
133.10123	33.4
135.04390	5.3
135.08031	5.8
135.11684	43.5
137.05998	11.5
137.09630	18.9
137.13249	2.9
138.10393	2.6
143.04982	2.1
143.06044	4.4
147.04350	3.6
147.08011	2.7
147.11653	12.8
149.05954	4.4
149.13284	8.8
150.06776	13.3
151.03873	2.4
151.07497	5.0
151.11177	5.9
151.14838	5.8
157.10178	3.3
160.05299	1.6
161.05975	42.1
162.06358	2.6
165.05492	3.7
165.09114	23.3
165.12706	2.4
165.16452	1.7
175.07539	6.1
175.11168	3.7
175.14825	30.5
176.15247	2.2
178.02660	2.3
178.06253	4.1
178.07735	2.3
193.04977	18.4
193.08609	50.7
193.12213	7.9
193.15881	53.3
194.09003	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	194.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02346	0.5
53.03903	1.4
53.04134	0.5
55.01828	1.6
55.05492	0.7
57.03436	3.8
57.55769	0.3
63.46004	0.4
65.03896	1.5
67.05502	4.7
68.99757	0.5
69.07043	0.8
77.03898	0.7
78.04701	0.9
79.05486	7.0
80.05806	0.6
80.06238	1.0
81.03385	0.8
81.07053	3.7
82.30599	0.4
83.04963	0.4
91.05476	33.9
92.05775	1.3
93.03379	0.9
93.07042	5.3
93.87415	0.5
95.04971	3.0
95.08593	2.5
97.06506	0.5
98.23341	0.8
102.04688	2.6
103.05462	17.6
104.05687	0.7
104.06269	1.2
105.03357	1.2
105.04504	0.8
105.07028	21.5
106.07359	2.2
107.04951	6.8
107.08550	1.5
108.05757	2.7
109.06472	1.1
111.04394	0.7
115.05452	4.9
116.06244	11.2
117.06966	1.7
117.50723	0.4
118.04166	2.1
119.04942	40.9
119.08485	0.6
120.05273	1.4
121.06477	3.1
121.10098	0.7
123.04440	4.6
123.08069	7.1
130.04111	1.6
131.04921	33.6
131.08534	0.8
132.05777	3.1
133.02856	6.8
133.06490	20.9
133.10115	0.6
134.07339	7.4
135.04378	0.7
135.08113	2.3
135.11687	2.1
136.05217	2.3
136.11958	0.4
137.05977	2.2
138.06371	0.7
143.04877	0.6
143.05957	0.5
144.05675	2.1
145.02808	0.7
145.06488	0.7
146.07217	0.4
147.04404	23.1
147.07950	0.7
148.04733	1.2
149.05956	2.6
151.03979	0.8
151.07535	37.9
152.07855	1.3
154.06224	0.6
159.11696	0.5
161.04726	0.5
161.05975	7.2
162.06770	3.6
163.03914	0.7
163.07538	19.7
164.08038	1.1
165.05504	3.8
165.09079	0.4
166.09491	1.0
167.07022	4.2
176.07916	0.5
176.15276	0.5
177.05472	1.0
177.09109	4.9
177.12758	0.5
179.07022	52.2
180.07394	2.1
181.44362	0.4
193.08620	0.9
194.09381	100.0
194.15283	4.7
195.06485	0.6
195.09760	5.1
195.11591	0.7
195.13806	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.065
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03958	1.1
55.05497	0.8
57.07075	1.5
63.02360	1.0
65.03941	8.9
65.08026	0.5
67.05493	0.7
69.07067	1.1
70.77407	0.6
70.77742	0.9
71.08615	1.1
75.55398	0.5
78.04704	1.2
79.05496	1.6
81.07067	1.2
83.08633	0.9
87.29450	0.5
89.03918	25.5
89.06039	0.7
90.31385	0.5
91.05488	7.4
93.03403	13.7
93.07046	1.6
95.04974	1.5
97.00512	0.5
103.05466	1.2
105.06990	0.6
106.04171	2.1
107.04958	1.6
107.08585	0.8
108.88164	0.5
110.03659	1.7
111.04446	20.0
112.04791	0.9
115.66874	0.5
117.03379	45.8
117.99461	0.5
118.03734	1.1
119.04951	2.9
121.06516	1.1
124.05242	0.9
125.05994	24.2
126.35947	0.4
126.76669	0.5
131.96120	0.6
134.03654	7.9
135.04433	8.2
135.08012	0.6
141.92302	0.6
145.02846	85.3
146.03191	2.8
149.05980	20.2
149.13272	0.9
149.97192	1.7
150.06607	0.8
153.05475	49.2
154.05826	1.7
158.06000	0.7
162.03091	2.4
163.03900	9.7
165.06973	1.1
172.98911	0.6
177.05466	100.0
178.05838	4.1
180.09395	0.7
186.05458	3.3
195.06544	2.6
195.11516	10.8
195.13544	0.8
195.15727	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0652
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
52.00225	1.2
55.05478	1.1
65.03930	3.5
67.05509	1.4
69.07073	1.6
72.92305	1.2
79.05489	4.8
81.03307	1.2
81.07069	3.2
86.37112	1.1
89.03914	26.9
89.06023	2.4
91.05467	6.2
93.03397	7.5
93.07053	5.7
95.08599	4.1
98.23396	3.2
103.05455	2.3
105.07037	2.4
106.04190	2.4
107.04962	15.0
107.08594	5.8
111.04431	9.3
115.05430	1.4
117.02557	2.8
117.03383	48.3
121.06506	1.7
121.10165	2.1
125.05981	12.0
133.10109	1.4
134.03613	10.7
135.04420	9.2
135.08076	3.0
135.11687	10.7
139.11182	1.6
145.02843	91.5
146.03200	4.2
149.05972	25.4
149.13281	1.6
149.97185	2.5
150.69005	1.2
153.03644	1.3
153.05470	20.7
162.03125	2.1
163.03900	9.9
163.07593	4.2
165.07077	1.3
167.07050	4.0
177.05467	100.0
177.12744	2.1
178.05836	4.1
180.09357	1.3
181.11543	1.2
186.05508	3.5
195.10141	3.8
195.11693	2.4
195.13966	2.1
195.15714	3.9
196.16881	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1015
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
51.27074	0.3
53.00302	0.9
53.03938	2.1
53.06618	0.3
54.69133	0.3
55.01864	1.5
57.03419	0.5
59.92462	0.3
64.38701	0.4
65.03931	0.9
67.05493	0.9
70.58511	0.9
70.58853	0.4
77.03928	0.6
78.04704	1.0
79.05485	14.3
80.94238	0.3
81.03399	0.4
81.07053	0.8
91.05473	7.5
92.06278	0.6
93.03340	0.5
93.07040	0.9
95.04961	4.4
95.08585	0.5
102.04678	0.4
103.05455	11.9
105.04506	0.7
105.07017	12.7
106.04160	0.6
107.04942	100.0
107.08582	1.3
108.05272	3.1
109.06514	0.8
110.03658	0.6
115.05441	7.9
116.06233	0.4
117.07001	3.3
119.04920	1.0
120.05700	3.2
122.03695	0.5
123.04395	1.9
124.05207	1.6
125.05892	0.9
131.04927	1.3
133.02841	0.9
133.06473	1.0
135.04414	0.4
135.08038	25.2
136.08414	0.7
137.05960	1.6
139.03859	2.2
145.06474	0.6
145.07599	1.9
147.04349	2.2
148.05177	0.9
149.05959	0.5
151.03882	1.4
152.04631	1.0
153.05531	0.5
154.06244	6.7
159.28760	0.4
163.07524	30.0
164.07918	1.2
165.05502	1.8
165.79579	0.4
167.07022	35.9
168.07361	1.1
180.07796	7.8
181.07986	0.5
195.10149	31.3
196.10483	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1014
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
53.00304	1.2
53.03942	1.2
55.01875	1.1
57.03450	0.7
65.03951	0.6
70.58226	1.3
77.03918	0.6
77.65963	0.6
79.05486	12.8
91.05467	7.9
95.04952	4.0
97.40403	0.5
98.22685	0.6
101.52679	0.5
103.05460	11.6
104.49144	0.5
105.07029	11.8
106.04166	0.8
107.04946	100.0
107.08554	1.1
108.05280	2.0
110.03662	1.0
115.05442	8.7
116.06334	0.6
117.07008	2.7
119.04965	0.9
120.04952	0.6
120.05715	3.1
121.06477	0.7
123.04433	2.4
124.05206	2.2
125.05978	1.0
131.04903	1.1
133.06470	1.4
135.08044	26.6
136.08362	0.7
137.05960	2.0
139.03880	1.1
145.07600	1.8
147.04390	3.5
148.05162	1.2
151.03871	0.8
152.04779	0.9
154.06238	7.2
163.07535	32.7
164.07974	0.9
165.05510	1.4
167.07024	34.7
168.07384	1.0
178.37462	0.7
180.07793	6.9
192.67963	0.5
195.10149	31.6
196.10512	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1014
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
51.91868	0.6
53.00301	0.8
53.03933	2.2
55.01858	1.3
57.03444	0.8
65.03928	0.8
67.05493	2.7
69.85239	2.3
74.61354	0.6
78.04683	1.0
79.05485	15.4
81.03402	0.9
81.07047	1.7
91.05467	8.6
93.03403	0.7
93.07019	2.4
95.04968	5.4
95.08618	0.6
103.05460	12.2
105.03407	0.6
105.04505	0.9
105.07036	12.7
106.07297	0.8
107.04947	100.0
107.08581	2.8
108.05277	2.6
109.06518	0.8
110.03664	0.6
114.28695	0.5
115.05447	7.7
117.07026	3.4
119.04915	1.1
120.05719	2.7
121.06475	1.7
123.04429	1.8
124.05177	2.4
125.05968	1.6
131.04884	1.1
135.08049	24.8
136.08376	1.0
137.05963	1.2
139.03886	1.6
145.07562	1.7
147.04425	3.7
149.05942	0.7
151.03925	1.0
152.04704	0.7
154.06236	7.6
163.07533	30.0
164.08025	1.3
165.05455	1.6
167.07030	37.4
168.07376	1.6
180.07790	7.1
195.10156	29.9
196.10507	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56191	0.5
53.00314	0.8
53.03941	2.1
55.00122	0.5
55.01864	1.8
61.25911	0.5
65.03958	0.6
67.05499	0.7
70.16452	0.5
75.03988	0.5
77.03921	0.8
78.04704	1.3
79.05492	14.5
81.07043	0.7
91.05470	10.3
93.03370	0.6
93.07046	1.2
95.04958	5.1
98.22542	1.5
103.05464	13.3
105.04495	0.7
105.07021	14.7
106.04183	1.1
107.04949	100.0
107.08592	1.3
108.05289	2.6
110.03650	0.7
115.05449	8.2
117.07005	3.0
119.04913	1.4
120.05735	3.4
123.04415	3.0
124.05206	2.7
125.06040	1.3
131.04941	1.0
133.02834	1.1
133.06503	1.1
135.08046	24.9
136.08379	0.6
137.05972	1.8
139.03885	1.7
145.06548	0.9
145.07610	2.4
147.04457	3.1
149.05937	0.6
151.03894	1.4
152.04640	1.6
154.06230	6.3
163.07539	30.8
164.07980	1.0
165.05489	2.2
167.07031	37.1
168.07318	0.8
180.07800	8.3
195.10165	30.2
196.10539	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1013
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
53.00306	1.0
53.03940	1.7
55.01868	2.0
60.38027	0.6
64.21987	0.5
65.03932	0.6
67.05499	1.3
69.03423	0.7
69.07090	0.6
70.00308	2.4
78.04708	0.6
78.70737	0.5
79.05492	13.4
81.07049	1.6
89.06037	0.7
91.05477	7.6
92.06287	0.7
93.07037	1.5
95.04966	6.1
95.08617	1.3
99.85717	0.6
103.05463	11.7
104.05743	0.8
105.04494	0.9
105.07021	13.8
107.04948	100.0
107.08588	2.6
108.05285	1.7
109.06516	0.9
110.03661	0.9
111.04431	1.0
115.05453	8.0
117.03358	1.1
117.07018	3.9
119.04942	1.5
120.05703	3.3
121.06492	1.3
123.04434	2.2
124.05199	2.1
125.05991	1.9
131.04927	1.2
131.96161	0.5
133.02887	0.9
133.06509	0.9
135.04333	0.7
135.08043	26.2
135.11678	1.0
136.08382	0.6
137.05931	1.6
139.03868	1.6
139.07550	0.7
140.04723	0.5
145.02817	2.0
145.07596	1.8
147.04398	2.2
148.05168	1.2
149.05956	1.9
151.03841	1.7
151.07455	0.6
152.04619	0.8
153.05418	0.7
154.06238	7.0
163.07533	32.6
164.07939	1.8
165.05441	1.9
165.06772	0.6
167.07028	36.2
168.07353	1.1
172.98816	0.6
177.05431	2.2
180.07816	10.1
180.09325	1.2
195.02951	0.6
195.10147	30.2
195.11620	1.3
195.13826	0.9
195.15680	2.0
196.10454	1.2
196.16782	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1015
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
51.02375	0.6
53.00302	0.9
53.03944	3.0
55.01866	2.6
55.42453	0.5
65.03934	0.7
67.05496	0.6
69.10294	5.0
69.44520	0.4
77.03934	0.8
78.04706	1.6
79.05492	13.8
80.05793	0.6
81.03400	0.6
81.07044	1.1
91.05479	9.2
93.07050	1.5
94.04231	0.5
95.04975	4.7
103.05456	12.5
104.12057	0.6
105.03412	0.7
105.04475	0.8
105.07018	13.3
106.04181	0.9
106.07328	0.9
107.04945	100.0
107.08591	2.2
108.05270	1.8
109.06449	0.6
111.04430	0.9
115.05441	7.5
117.03341	0.7
117.06984	3.3
119.04913	1.5
120.05701	3.0
121.06499	1.7
122.03623	0.6
123.04411	2.3
124.05206	2.6
125.06020	1.4
131.04947	1.5
133.02829	1.2
133.06432	0.8
135.04465	0.9
135.08043	25.4
136.08400	1.1
137.05974	2.3
139.03862	3.1
145.02852	1.1
145.06491	0.9
145.07590	2.0
147.04381	2.5
148.05141	0.8
149.06012	0.7
151.03882	1.5
152.04637	1.9
153.05473	0.6
154.06229	7.4
162.06721	0.6
163.07536	33.1
164.07919	1.4
165.05490	1.9
167.07028	34.4
168.07378	1.2
177.05469	1.5
180.07805	8.2
195.06447	1.5
195.10152	29.8
196.10504	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1015
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
53.00331	0.7
53.03942	2.1
55.01868	1.8
57.84489	0.5
65.03942	0.6
69.99448	2.3
77.03923	0.9
78.04713	0.9
79.05497	12.0
81.07055	0.8
91.05470	8.6
93.03391	0.9
93.07050	1.1
95.04969	3.8
98.22583	0.5
103.05468	10.4
105.04553	0.9
105.07036	12.8
106.04186	0.9
107.04951	100.0
107.08591	1.3
107.36436	0.5
108.05300	1.9
109.06536	0.8
111.04488	0.6
115.05456	7.6
117.07003	3.0
119.04924	0.8
120.05739	3.2
121.06489	0.8
123.04428	1.5
124.05230	2.7
125.05968	1.2
131.04919	0.9
133.02858	0.6
135.08054	25.2
137.05972	1.5
139.03958	1.2
145.06474	0.6
145.07574	1.2
147.04387	1.8
148.05186	0.7
151.03915	0.9
152.04692	0.7
154.06247	6.4
163.07541	35.4
164.08038	1.6
165.05492	1.9
167.07033	37.7
168.07376	1.1
180.07813	10.2
195.10164	31.5
196.10530	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1015
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
53.00307	0.9
53.03944	1.2
55.01865	1.7
57.03429	0.8
58.88262	0.5
63.18380	0.3
65.03950	0.7
70.58464	1.1
71.05652	0.4
72.98059	0.6
77.03933	1.1
78.04707	1.1
79.05490	12.3
80.05830	0.5
88.93829	0.5
91.05474	6.8
93.03395	0.6
93.07071	0.8
95.04951	3.8
103.05457	13.1
104.05741	0.4
105.04511	1.2
105.07029	11.8
106.04168	0.7
106.07343	0.6
107.04948	100.0
107.08604	1.6
108.05285	2.5
109.06490	1.3
111.04440	0.5
115.05445	7.6
117.06998	2.5
119.04948	1.5
120.05750	3.1
121.06509	0.7
122.96451	0.4
123.04407	2.0
124.05196	1.7
125.05999	1.0
131.04892	1.5
133.02905	0.6
133.06482	0.9
135.08049	24.4
136.08318	0.6
137.05960	2.2
139.03868	1.6
145.06529	0.8
145.07596	2.1
147.04439	2.6
148.05154	0.7
149.05951	0.6
151.03905	1.1
152.04675	0.9
153.05536	0.5
154.06242	7.1
162.06700	0.4
163.07533	31.0
164.07904	1.0
165.05478	1.2
167.07028	35.1
168.07402	0.9
180.07793	8.9
195.10161	27.9
196.10536	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1016
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
53.00291	0.8
53.03946	2.6
55.01862	2.2
57.03437	0.6
59.90746	0.5
65.03936	1.2
67.05507	1.3
67.12801	0.6
72.68510	0.6
77.03893	0.7
78.04699	1.0
79.05491	14.3
81.03447	1.1
81.07053	1.4
91.05475	8.5
93.07042	1.3
95.04974	4.4
95.08561	0.8
98.22491	1.1
103.05458	12.7
105.07024	14.1
107.04950	100.0
107.08587	1.8
108.05276	2.2
115.05457	7.1
117.06998	3.0
118.72463	0.6
119.04900	0.7
120.05731	2.4
121.06507	1.2
123.04429	2.4
124.05219	2.4
125.06020	1.4
130.96341	0.7
131.04942	1.0
133.02850	0.8
135.04341	0.8
135.08047	25.4
136.08350	0.6
137.05939	1.2
139.03882	2.0
145.06575	0.6
145.07643	2.1
147.04370	3.1
149.05974	0.7
151.03850	0.6
152.04716	1.2
154.06248	7.6
163.07539	28.9
164.07928	1.3
164.48921	0.8
165.05490	2.5
167.07036	37.4
168.07388	1.5
180.07791	7.3
194.53868	0.6
195.06543	1.0
195.10168	27.3
196.10483	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1016
Annotation	ethyl 2-hydroxy-3-phenylpropanoate
Peak:m/z	Relative Intensity
53.00299	0.8
53.03937	4.4
55.01875	4.8
55.05509	17.8
55.33934	0.5
56.29315	0.6
57.03430	5.2
57.07066	1.7
60.87309	0.7
65.03947	3.3
67.05501	57.8
68.05809	0.9
68.06857	0.6
69.03419	1.4
69.07063	14.9
70.63603	1.4
71.01344	2.3
71.04988	4.4
73.02914	0.9
77.03928	1.6
78.04701	1.1
79.05490	48.1
80.05835	0.8
81.03413	15.7
81.07052	85.2
82.07381	1.8
83.04977	10.5
83.08620	9.7
84.76387	0.6
85.02887	1.0
85.06541	3.2
87.04449	0.6
91.05474	44.8
92.05800	0.9
93.07040	56.9
95.04965	11.4
95.08601	30.1
95.60787	0.6
96.08894	0.6
97.06525	9.4
97.10136	0.9
98.99184	0.6
99.04449	0.8
99.08096	1.6
103.05466	11.2
103.06141	0.4
105.04501	2.4
105.07027	24.1
106.04155	1.3
106.07326	0.7
107.04951	100.0
107.08583	26.6
108.05292	2.6
109.06509	3.4
109.10139	3.9
110.03638	0.8
111.04468	0.7
111.08075	5.2
113.06010	1.3
115.05447	8.5
116.06223	0.8
117.07009	15.6
119.04927	1.6
119.08597	3.4
120.05710	3.3
121.06504	7.4
121.10132	9.8
123.04440	1.9
123.11720	2.9
124.05191	2.2
125.05986	1.7
129.06964	1.2
131.05000	1.2
131.08563	12.7
133.02856	0.9
133.06505	0.7
133.10127	24.5
134.10469	0.7
135.04391	0.7
135.08047	28.6
135.11679	28.7
136.08397	1.0
136.12102	0.7
137.05981	1.6
139.03891	2.7
139.07516	1.1
144.09325	1.1
145.07585	2.4
147.04424	2.9
149.09607	1.7
149.13245	15.3
151.11163	4.4
152.04753	0.7
154.06226	7.3
159.11682	13.0
162.06714	0.7
163.03909	1.4
163.07539	31.1
164.07892	1.8
165.05440	1.6
167.07030	33.0
168.07278	1.5
177.12749	10.9
180.07823	7.4
195.10155	28.2
195.13803	16.6
196.10583	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1014
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
53.00300	0.7
53.03939	1.6
55.01865	1.6
57.03435	0.6
65.03922	0.8
67.05495	0.9
68.96312	0.4
69.04720	4.5
77.03925	0.7
78.04701	0.9
79.05492	13.9
81.07038	0.9
89.03902	0.6
91.05478	8.6
93.07032	1.5
95.04958	4.7
95.08634	0.6
103.05461	13.1
105.03370	0.7
105.04482	1.0
105.07029	13.3
106.04141	0.9
107.04948	100.0
107.08588	2.5
108.05271	2.3
109.06493	1.0
115.05453	8.3
116.06288	0.6
117.03363	1.2
117.07005	3.3
119.04919	1.3
120.05716	3.6
121.02821	0.5
121.10130	0.6
123.04413	2.3
124.05219	2.3
125.06021	2.1
131.04909	1.7
131.96107	0.6
133.02821	0.7
133.06500	0.8
135.04391	0.5
135.08049	24.6
135.11633	0.8
137.05981	2.2
139.03867	1.7
139.07556	0.6
145.02827	1.7
145.06531	0.8
145.07596	2.0
147.04382	3.2
148.05185	0.5
148.97314	0.5
149.05974	1.1
149.97241	0.9
151.03886	1.3
152.04660	1.0
153.05469	0.4
154.06238	7.8
161.05939	0.8
163.07536	30.0
164.07916	1.3
165.05450	1.8
167.07027	34.6
168.07388	1.3
172.98906	0.6
177.05473	1.9
180.07797	8.9
180.09265	0.8
195.02849	0.5
195.10153	28.2
195.15750	1.2
196.10574	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1016
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
53.00301	0.8
53.03941	2.0
55.01868	2.3
55.05496	1.4
57.03430	1.0
65.03924	1.5
67.05505	5.7
69.03420	0.4
69.07057	1.5
69.08432	3.2
69.96175	0.4
71.04975	1.0
71.23898	0.3
72.19502	0.3
72.82093	0.3
77.03928	0.6
78.04684	0.3
79.05491	15.2
80.05795	0.3
81.03403	1.3
81.06577	0.5
81.07053	10.6
83.04967	1.3
83.08598	0.8
85.02895	0.3
85.06535	0.6
91.05477	11.3
92.06261	0.6
93.03402	0.4
93.07043	7.6
95.04966	4.8
95.08599	4.4
96.64611	0.3
97.06533	1.1
103.04769	0.5
103.05460	11.6
105.04517	1.1
105.07023	11.7
105.07734	0.6
107.04949	100.0
107.08581	4.3
108.05256	1.7
109.06503	0.8
109.10128	0.5
111.04415	0.5
111.08078	0.4
115.05453	8.3
116.06267	0.3
117.07011	4.0
119.04964	1.2
119.08575	0.4
120.05739	3.6
121.06523	2.0
121.10146	1.9
123.08024	0.7
124.05218	0.7
125.05998	1.1
131.04913	1.3
131.08557	1.5
131.96138	0.9
133.06493	0.6
133.10141	1.3
135.04398	1.0
135.08047	24.6
135.11671	4.9
136.08371	0.8
137.05972	1.1
139.03888	0.6
139.07451	0.6
145.07596	2.3
147.04361	2.6
148.05188	1.0
148.97385	0.8
149.05975	1.0
149.09651	0.8
149.13274	1.6
149.97218	1.2
151.03935	0.6
151.07503	0.5
152.04735	0.7
153.05438	0.4
154.06221	1.8
159.11681	1.4
161.05981	0.8
162.06763	0.4
163.03876	1.1
163.07536	35.7
164.07840	1.5
165.05470	1.7
165.06931	0.7
167.07030	6.6
167.08432	0.4
167.10701	0.4
172.98743	0.6
177.05432	0.6
177.09111	0.4
177.12743	1.5
180.06183	0.5
180.07803	9.8
180.09114	0.5
181.08144	0.7
189.28708	0.3
195.02876	0.6
195.06540	1.9
195.08131	0.8
195.10132	7.2
195.11708	0.8
195.13768	2.1
195.15501	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1015
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
51.02367	0.3
53.00305	0.8
53.03940	1.5
55.01869	1.6
57.03432	0.4
61.85588	0.3
65.03931	1.3
67.05513	0.9
68.81004	0.3
69.04190	1.3
69.04619	2.1
77.03921	0.5
78.04704	0.9
79.05486	15.1
80.05827	0.4
81.03422	0.4
81.07039	0.7
91.04927	0.6
91.05474	8.6
92.06284	0.6
93.03396	1.5
93.07037	1.1
95.04955	5.2
95.08587	0.5
98.22488	0.6
103.05463	15.5
105.03345	0.4
105.04494	1.1
105.07024	14.6
106.04169	0.9
106.07346	0.4
107.04946	100.0
107.08613	1.6
108.05260	2.2
109.06512	0.7
110.03680	0.4
111.04441	1.2
113.73562	0.3
115.05452	8.6
117.03276	0.3
117.07034	2.7
117.71985	0.3
119.04939	1.5
120.05725	4.2
121.02856	0.4
121.06483	1.2
122.03645	0.4
123.04413	2.3
124.05225	2.0
125.05993	1.5
125.40687	0.3
131.04930	1.4
133.02864	0.8
133.06502	1.3
134.03596	0.4
135.04427	0.4
135.08043	25.0
136.08377	0.7
137.05951	1.6
139.03885	5.4
145.06496	0.6
145.07597	2.5
147.04401	3.0
148.05156	1.2
149.05960	1.0
151.03886	1.3
152.04663	1.2
154.06235	17.3
155.06601	0.8
161.05913	0.5
162.06818	0.4
163.07536	33.6
164.07903	1.7
165.05479	1.6
167.07025	36.3
168.07358	1.4
180.07808	8.4
195.10155	27.4
196.10477	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1015
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
51.57916	0.4
53.00302	0.5
53.03945	1.9
55.01867	1.9
57.03423	0.7
65.03928	1.2
65.72588	0.4
67.05502	2.0
68.96320	0.5
69.07066	0.8
71.32986	0.7
77.03916	0.6
78.04707	0.9
79.05490	14.7
81.03408	0.6
81.07050	1.5
89.03926	0.6
91.05475	10.3
93.03404	1.1
93.07039	2.3
94.04150	0.4
95.04961	6.2
95.08591	1.2
103.05464	12.4
105.03394	0.6
105.04510	1.0
105.07024	13.0
106.04114	0.5
106.07332	0.6
106.59185	0.4
107.04948	100.0
107.08591	2.6
108.05243	2.9
109.06535	0.8
110.03656	0.6
111.04408	1.1
115.05458	8.4
116.06319	0.6
117.07019	3.2
119.04916	2.3
119.08564	2.8
120.05727	4.7
121.06480	2.7
121.10159	0.8
122.03644	0.4
123.04430	2.5
123.08052	1.6
124.05199	2.2
125.06006	1.7
130.96205	0.5
131.04939	1.9
131.08546	0.6
133.02832	1.4
133.06476	1.5
133.10136	0.4
135.04420	1.7
135.08046	25.8
135.11658	0.9
136.08392	1.1
137.05988	2.6
139.03873	1.9
139.07527	0.6
140.04582	0.4
145.06564	0.7
145.07623	2.2
147.04398	2.4
148.05170	0.8
148.97322	0.6
149.05965	1.7
149.09579	0.8
149.13229	0.5
151.03888	0.9
151.07513	4.2
152.04681	1.1
153.05449	0.8
154.06235	6.3
159.11682	1.9
161.05939	0.5
162.06757	0.6
163.03941	1.9
163.07536	33.7
164.07951	1.4
165.05455	2.4
165.06833	0.7
167.07031	32.3
168.07343	1.0
177.05481	0.9
177.09094	0.7
177.12738	1.3
180.07811	7.0
195.02917	1.2
195.06448	1.6
195.08221	1.3
195.10159	29.9
195.13811	2.4
195.15483	0.6
196.10477	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1016
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
51.02378	0.6
53.00306	0.6
53.03942	1.7
55.01871	2.0
65.03929	1.4
67.05493	1.2
69.07052	0.5
69.82333	1.4
69.82735	0.9
78.04716	1.1
78.88659	0.4
79.05491	15.2
81.03399	1.0
81.07049	1.6
89.06038	0.9
91.05472	8.5
93.03400	1.2
93.07061	2.4
95.04960	4.8
95.08605	1.1
97.06541	0.5
103.05457	15.1
105.04510	0.9
105.07032	13.7
106.04136	0.6
107.04950	100.0
107.08591	1.9
108.05280	1.9
108.07520	0.5
109.06509	0.8
111.04421	1.2
115.05448	8.7
116.06268	0.7
117.07029	3.0
119.04938	1.5
120.05733	3.5
121.06477	1.4
121.10132	0.5
123.04401	2.4
124.05210	2.1
125.05952	1.3
127.07436	0.5
131.04924	2.1
132.08098	0.6
133.02853	1.0
133.06396	0.7
134.07291	0.6
135.04420	0.8
135.08049	27.2
135.11684	1.2
136.08362	0.7
137.05974	1.6
139.03882	5.8
139.07545	0.5
145.06519	0.6
145.07549	2.2
147.04399	3.3
148.05168	0.8
148.97350	0.8
149.05948	1.0
149.58058	0.5
149.97145	0.8
151.03931	1.4
152.04703	1.1
153.05534	0.5
154.06242	20.9
155.06641	0.7
163.07536	32.6
164.07935	1.7
165.05444	1.3
167.07033	34.2
168.07430	1.1
171.98972	0.9
177.05428	1.1
180.07811	8.2
180.09264	0.4
195.10158	27.0
195.11623	1.0
195.13762	1.2
195.15620	0.6
196.10515	1.4
196.16879	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1015
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
53.03932	1.8
55.01863	1.7
55.05497	0.9
65.03940	1.6
67.05502	2.7
68.96324	0.6
69.07073	0.6
69.89904	2.3
70.94242	0.6
77.03937	0.9
78.04708	0.7
79.05480	13.9
81.03419	0.8
81.07050	3.9
83.04965	1.5
89.06024	0.7
91.05473	10.9
93.03390	0.9
93.07030	3.0
94.04169	0.7
95.04955	4.8
95.08586	0.7
98.22688	0.8
103.05453	14.3
105.04503	1.5
105.07014	14.1
106.04178	1.3
107.04944	100.0
107.08583	3.7
108.05262	3.0
109.06477	0.8
111.04443	1.8
115.05450	8.6
117.07029	3.0
119.04926	1.3
120.05719	2.4
121.06474	1.5
121.10123	0.6
123.04422	2.2
124.05196	2.3
125.05980	2.1
130.96330	1.0
131.04922	1.7
131.08574	0.7
131.96092	0.7
133.02814	0.6
133.06480	1.4
135.04407	1.5
135.08046	27.1
135.11671	1.4
136.08345	0.7
137.05960	1.7
139.03893	5.5
145.06551	0.6
145.07574	2.2
147.04404	3.1
148.05177	0.9
148.97334	1.4
149.06020	0.7
149.09612	0.7
149.97144	1.2
151.03908	1.1
152.04692	1.0
153.05437	0.6
154.06230	18.8
163.03873	1.0
163.07532	33.4
164.07924	1.6
165.05444	1.9
167.07025	35.9
168.07426	1.0
171.98894	1.1
177.05386	1.0
178.05672	0.5
180.07823	7.7
195.10147	30.1
195.13829	1.7
195.15564	1.2
196.10562	1.3
196.16986	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1016
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
51.02377	0.8
53.00298	0.8
53.03955	2.3
55.01871	2.1
55.05506	0.8
56.81546	0.5
57.03437	2.1
65.03927	2.7
65.26135	0.4
67.05497	1.3
68.99766	0.6
69.03433	1.0
69.07060	0.5
70.45462	0.6
70.45795	0.9
72.58530	0.4
74.08404	0.4
77.03920	0.8
78.04707	0.6
79.01846	0.5
79.05494	16.1
81.03418	1.2
81.07050	2.0
83.04977	0.7
85.02892	3.2
86.72484	0.5
89.03897	0.7
91.05482	10.3
93.03418	1.8
93.07047	2.8
94.04198	0.8
95.04959	5.6
97.02849	0.7
97.06512	0.7
98.23875	0.5
99.04528	0.5
103.05464	14.4
105.04515	1.3
105.07032	14.9
105.87809	0.4
106.04177	1.1
107.04953	100.0
107.08575	2.6
108.05298	1.8
109.06528	1.5
110.03638	1.2
111.04428	2.4
111.08092	0.5
115.05457	7.5
115.60035	0.4
116.06259	0.9
117.03391	1.0
117.07030	3.3
119.04905	1.1
119.08575	1.9
120.05743	3.3
121.02882	2.9
121.06508	5.1
121.10128	1.2
122.03631	0.7
123.04436	2.9
124.05218	2.5
125.02342	0.7
125.05995	3.8
131.04932	2.0
131.08566	1.3
133.02858	1.0
133.06454	1.2
134.03650	0.5
135.04430	3.9
135.08054	25.0
136.08424	0.6
137.05971	2.0
139.03912	3.9
145.02791	1.1
145.06519	0.7
145.07533	2.1
147.04436	2.9
148.05171	0.7
149.02307	0.5
149.05975	3.4
149.09648	2.4
149.97197	0.6
151.03903	1.2
151.07631	0.8
152.04680	1.6
153.05460	4.5
154.06250	6.9
159.07980	0.6
163.03888	9.0
163.07542	34.6
164.07973	0.9
165.05470	1.8
167.07037	35.3
168.07376	1.2
177.05438	2.4
177.09116	1.2
180.07813	11.1
181.08234	0.5
195.02908	5.2
195.06525	3.5
195.10161	31.1
196.10445	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1015
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
53.00303	0.9
53.03948	2.0
55.01869	2.2
55.05503	0.9
65.03944	1.4
66.27979	0.3
67.05504	1.1
69.03431	0.4
70.59592	0.8
77.03926	1.1
78.04726	0.9
79.05487	14.0
81.03412	1.0
81.07048	1.4
83.01282	1.9
83.04967	1.9
89.03916	1.3
89.06031	0.3
91.05469	9.0
92.06271	0.6
93.03405	1.0
93.07033	2.0
95.04959	5.0
95.08587	0.5
97.06544	0.6
103.05461	12.2
105.03389	0.5
105.04529	1.3
105.07024	12.8
106.04146	0.6
107.04948	100.0
107.08572	2.6
108.05244	2.5
109.02874	0.6
109.06507	1.1
110.03632	0.8
111.04447	0.9
111.08096	2.5
115.04639	0.4
115.05446	8.6
115.49778	0.4
117.03358	1.6
117.07023	3.1
119.04929	2.0
120.05713	4.1
121.02863	0.4
121.06505	1.8
121.10112	0.7
122.03630	0.6
123.04405	2.5
124.05237	2.8
125.05998	2.0
130.96327	0.6
131.04918	2.2
131.57971	0.3
133.02879	0.8
133.06447	0.8
134.03630	0.7
135.04417	3.5
135.08046	24.3
136.08385	0.9
137.05972	2.1
137.09622	0.5
139.03914	1.7
139.07526	4.8
143.04770	0.4
145.02834	3.3
145.06546	0.5
145.07587	1.9
147.04407	4.1
148.05171	1.1
149.05972	1.7
149.09608	0.9
151.03902	1.8
151.07501	0.8
152.04678	1.2
152.08351	0.3
153.05472	3.2
153.97893	0.6
154.06241	4.8
155.06564	0.4
161.05963	1.2
163.03902	2.4
163.07535	36.1
164.07924	1.1
165.05403	2.0
167.07028	34.7
168.07506	1.3
177.05482	2.9
177.12695	0.5
180.07802	7.7
181.08165	0.4
195.02858	1.2
195.06529	1.9
195.10152	27.1
195.13786	2.0
196.10475	0.8
196.16934	0.6
199.95879	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1015
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
51.34586	0.3
53.00305	0.6
53.03937	1.9
55.01868	1.9
55.05529	0.5
57.03426	1.0
57.07084	0.4
65.03935	1.7
67.05492	2.0
69.03414	1.2
69.07054	0.5
69.38017	1.9
69.38428	0.8
71.04961	0.4
77.03938	1.1
78.04710	0.8
79.05490	14.3
81.03394	0.5
81.07049	1.8
83.04959	1.0
89.03913	0.4
89.06035	0.4
91.04924	0.8
91.05470	11.3
92.06261	0.4
93.03395	1.0
93.07037	3.9
95.04955	6.1
95.08593	1.1
97.06522	0.7
98.23261	0.7
103.05454	11.7
105.03380	0.9
105.04512	1.4
105.07021	14.7
106.04154	0.7
106.07324	0.4
107.04945	100.0
107.08582	4.6
108.05225	2.6
109.06506	1.4
109.10143	0.8
109.98983	0.4
110.03627	0.7
111.04445	1.8
111.08086	1.0
115.05454	9.1
117.03393	0.7
117.07022	4.0
119.04943	1.2
119.08576	1.5
120.05716	3.0
121.02827	0.7
121.06510	2.8
121.10119	2.3
122.03670	0.4
123.04432	3.0
123.08043	2.1
124.05180	2.5
125.06007	2.4
130.96321	0.7
131.04889	1.6
131.08557	1.4
133.02834	1.4
133.06471	1.0
133.10077	0.6
135.04440	2.1
135.08044	26.7
135.11659	1.7
136.08415	0.8
137.05997	2.0
137.09607	3.3
139.03885	2.6
139.07521	1.6
145.02798	1.0
145.06525	0.8
145.07578	1.7
147.04381	2.9
148.05162	1.2
148.97345	1.1
149.05939	1.2
149.09589	3.5
149.13240	0.4
149.97145	0.4
151.03928	1.9
151.07524	4.4
152.04648	1.5
153.05429	1.4
153.97824	0.5
154.06224	7.1
159.08054	0.4
159.11699	1.2
162.06770	0.6
163.03891	2.3
163.07533	28.6
164.07993	1.2
165.05469	2.0
167.07027	36.3
168.07373	0.9
171.98909	0.9
177.05466	1.7
177.09100	3.3
177.12753	1.6
180.07796	7.5
194.65488	0.4
195.02908	3.8
195.06522	3.4
195.08209	1.4
195.10143	31.6
195.13786	1.5
195.15593	0.9
196.10539	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1016
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
51.49770	0.6
53.03933	2.8
55.01869	1.7
56.56370	0.8
57.03457	0.8
65.03944	1.1
67.05492	0.8
70.38547	2.0
75.89167	0.6
78.04707	1.0
79.05492	15.3
81.03391	0.8
81.07047	1.5
91.05484	10.1
93.03418	0.8
93.07044	2.4
95.04970	5.2
95.28643	0.7
103.05461	12.1
104.06245	0.8
105.04499	1.0
105.07030	13.6
106.04156	1.2
106.07365	1.1
107.04949	100.0
107.08616	2.2
108.05270	2.1
109.06518	1.3
115.05450	6.8
117.07018	3.4
120.05724	3.2
121.06562	1.2
123.04437	1.8
124.05192	2.9
125.05975	1.1
130.96350	0.7
131.04874	1.4
133.02861	0.9
133.06477	1.4
135.04416	2.0
135.07025	1.4
135.08054	23.1
136.08348	0.9
137.05978	1.7
139.03917	2.2
145.07556	1.8
147.04446	3.2
148.05237	0.8
151.03860	1.3
152.04594	1.0
154.06226	7.5
162.06757	0.8
163.03839	1.6
163.07532	30.1
164.08109	1.1
165.05473	2.1
167.07031	35.7
167.08466	1.7
168.07416	1.3
180.07835	7.3
195.06474	1.9
195.10170	30.0
196.10526	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
51.02374	0.4
53.00309	0.4
53.03938	2.6
55.01868	4.2
55.05507	20.4
56.05839	0.3
57.03434	5.1
57.07069	1.7
59.04992	0.7
65.03934	3.3
66.04713	0.5
67.05499	68.0
68.05820	1.0
68.96341	0.7
69.03430	1.5
69.07063	18.8
69.40752	2.0
71.01355	2.2
71.04984	6.1
73.02899	1.2
73.06514	0.3
77.03912	0.8
79.05486	47.5
79.77944	0.3
80.05820	1.1
81.03412	17.6
81.07049	100.0
82.07386	2.4
83.04972	13.7
83.08613	11.4
84.08946	0.3
85.02886	1.5
85.06533	4.3
87.04474	0.8
91.05472	44.5
92.05811	0.8
93.07036	63.9
94.07355	1.4
95.04961	8.2
95.08597	33.6
96.08947	0.8
97.06521	10.8
97.10148	1.2
99.04456	0.5
99.08080	1.9
101.06008	0.5
103.05446	2.5
105.04500	1.7
105.07023	17.0
106.07347	0.4
107.04949	13.7
107.08582	28.6
108.05282	0.5
108.08914	0.7
109.06509	3.6
109.10150	3.7
111.04444	0.4
111.08070	5.5
113.05982	0.6
113.09633	0.9
115.05431	1.9
116.06220	0.5
117.07006	16.0
119.06032	0.4
119.08555	3.1
120.05700	0.6
121.06495	7.0
121.10138	8.7
123.04362	0.3
123.08055	1.1
123.11679	2.4
124.05131	0.4
125.09648	0.5
127.07494	0.3
129.06978	1.1
130.07796	0.6
130.96278	0.4
131.08556	16.5
132.08879	0.5
133.10117	28.1
134.10464	1.0
135.04388	0.7
135.08047	7.8
135.11676	32.7
136.12015	1.2
137.09633	0.5
139.07501	0.6
144.09315	0.7
147.04268	0.3
147.11681	0.9
148.97334	0.7
149.09630	1.7
149.13240	16.7
149.97162	0.6
150.13641	0.5
151.11160	4.4
152.04652	0.5
153.09105	0.6
153.97853	0.5
154.06221	1.3
159.11678	16.6
160.11958	0.8
163.03902	0.7
163.07533	3.4
167.07040	3.9
167.14352	0.4
171.98912	0.6
177.12735	11.4
180.07774	0.8
183.56430	0.3
195.06526	0.8
195.10172	5.1
195.13799	18.4
195.15677	0.9
196.14142	0.5
196.17032	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1379
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.00316	1.3
53.03942	4.2
54.70462	0.6
55.01865	3.7
55.05511	13.3
56.77276	0.6
57.03433	4.2
57.07063	2.0
65.03944	3.1
67.05501	46.8
68.05850	1.1
69.03428	1.1
69.07064	13.0
69.48730	4.1
71.01340	1.4
71.04976	3.7
73.02914	0.7
78.04713	0.9
79.05488	44.3
81.03412	13.2
81.07050	68.1
82.07387	1.2
83.04975	10.3
83.08617	7.7
84.65550	0.5
85.06537	2.4
91.05474	37.3
93.03401	1.1
93.07037	43.6
94.07365	0.8
95.04958	9.6
95.08601	23.5
97.06522	7.8
99.08057	1.1
103.05456	12.4
105.04515	1.6
105.07018	21.9
107.04947	100.0
107.08584	21.8
108.05293	2.7
109.06500	3.7
109.10106	2.9
111.04429	0.7
111.08067	3.8
115.05453	7.5
116.06252	1.1
117.07014	12.6
117.37863	0.7
119.04935	1.7
119.08567	3.4
120.05721	3.3
121.06506	5.3
121.10131	6.6
123.04424	2.2
123.08003	1.0
123.11683	2.3
124.05195	2.4
125.05968	1.5
131.04942	1.0
131.08556	9.1
133.10123	19.8
135.08044	27.2
135.11676	23.8
136.12062	0.7
137.05942	2.0
139.03900	2.4
144.09338	0.8
145.07593	1.6
147.04391	2.8
147.11758	1.1
148.05186	0.8
149.09575	1.4
149.13232	11.8
150.13528	0.8
151.03940	0.9
151.11171	2.8
152.04675	1.9
154.06239	7.2
159.11687	10.0
163.07536	28.6
164.07973	1.2
165.05453	2.2
167.07025	34.9
168.07387	1.0
177.12717	6.9
180.07796	7.7
195.10143	30.8
195.13774	13.2
196.10368	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.00290	2.2
53.03931	6.7
55.01866	5.3
55.05507	15.4
56.96552	1.3
57.03434	6.6
57.07055	1.8
59.30185	1.2
65.03929	1.5
67.05499	48.5
69.03411	1.9
69.07072	11.4
69.32253	11.2
70.98595	1.3
71.04983	5.0
77.03942	1.9
79.05492	50.7
80.05854	1.5
81.03418	9.7
81.07055	58.1
83.04979	25.7
83.08610	5.0
85.06541	2.9
89.06024	3.2
91.05473	32.6
93.07042	58.7
95.04972	12.0
95.08614	30.0
97.06535	13.9
103.05479	12.1
105.04511	2.7
105.07030	24.6
107.04948	100.0
107.08580	23.1
108.05298	2.5
109.06500	4.0
109.10206	2.5
109.98948	1.8
111.04518	1.3
111.08068	3.6
115.05432	8.1
117.07021	13.9
119.04952	1.5
119.08597	3.9
120.05697	2.5
121.06509	7.1
121.10172	6.3
123.04427	1.9
124.05203	3.0
125.05988	1.6
131.04918	1.5
131.08565	11.1
131.96179	2.5
133.10135	8.8
135.08057	27.6
135.11684	21.2
137.05975	1.9
139.03935	1.6
139.07513	1.5
145.07594	2.1
147.04387	1.7
148.97360	2.6
149.09647	3.2
149.13269	10.8
149.97214	2.0
153.98006	1.5
154.06250	7.6
159.11673	16.4
163.07544	30.9
164.07941	1.8
165.05585	2.8
165.07007	6.7
165.08315	1.2
167.07036	38.1
167.08482	2.2
177.12669	8.8
180.07797	7.4
180.09352	6.2
185.96748	1.3
195.06473	2.0
195.08350	1.5
195.10161	25.7
195.11769	8.6
195.13818	14.8
195.15750	4.3
196.16966	2.2
199.46365	1.3
214.30296	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0807
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.8
53.03949	5.9
55.01862	0.3
57.03430	1.3
72.93806	0.3
77.03920	2.3
79.05491	3.6
81.03425	0.5
94.49695	0.3
95.04971	6.0
96.05261	0.3
105.03388	100.0
105.04523	3.6
106.03726	2.5
123.04432	3.6
132.95808	0.4
146.91766	0.3
150.96906	0.4
173.98531	0.4
179.07031	3.0
198.18503	1.9
202.76520	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0807
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.9
53.03946	5.5
55.01868	1.0
55.05506	1.6
57.03177	0.3
57.03436	2.9
57.07058	0.7
65.03941	0.3
67.05512	0.6
69.03449	0.3
69.07058	1.0
70.06596	0.3
70.95862	2.2
71.22087	0.5
72.93784	1.4
73.02877	0.3
77.03913	1.5
79.05030	0.5
79.05490	8.3
81.03418	0.7
81.07040	1.2
83.04958	0.3
83.08621	0.8
87.78410	0.2
88.96909	0.6
90.62551	0.2
90.94830	0.4
91.05484	1.2
93.07046	0.7
94.04201	0.3
95.04967	6.3
95.05574	0.3
95.08604	0.7
97.06524	0.6
97.10173	0.6
99.08037	0.3
105.03388	100.0
105.04523	2.6
106.03712	2.8
106.06565	0.3
107.04953	0.3
107.08578	0.7
109.06512	2.3
111.98473	2.2
113.96368	0.3
123.04426	6.7
125.05959	0.5
129.99510	0.9
132.95822	4.1
133.02821	0.5
133.10126	0.5
137.05972	2.3
137.09616	0.3
141.05476	0.3
150.96886	5.7
151.03909	2.1
151.07574	0.8
152.04590	0.3
154.90776	0.2
155.97420	2.5
165.05486	0.6
173.98483	4.1
174.98643	0.3
179.07025	4.2
179.10565	0.5
182.05745	1.6
197.06070	0.6
197.08069	0.8
198.18527	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	197.0809
Annotation	Methyl everninate
Peak:m/z	Relative Intensity
53.03935	1.6
55.01871	2.2
55.05505	1.9
57.03439	1.6
57.07070	1.3
62.93326	0.7
65.03936	2.4
67.05510	1.9
68.60504	0.6
69.03404	0.7
69.07065	1.4
70.06576	0.8
70.95856	1.9
71.22811	0.8
71.23154	1.0
72.93785	1.7
77.03932	2.0
79.05492	6.8
81.03424	0.7
81.07047	3.9
83.04984	1.2
83.08627	0.9
84.04513	0.8
91.05479	27.9
92.05829	0.8
93.07050	1.2
94.04172	3.7
95.04974	6.9
95.08582	1.0
97.10151	0.7
98.97597	1.2
99.54240	0.7
105.03389	10.1
105.07029	2.4
107.04948	2.9
109.05857	1.2
109.06525	16.9
111.04462	1.0
111.98468	1.2
116.31277	0.7
116.98601	0.8
118.04192	0.8
119.04944	20.2
122.03628	4.3
123.04427	100.0
124.04766	2.2
132.95818	3.8
133.02852	33.1
133.06503	1.6
135.04398	1.9
137.05974	49.4
138.06343	1.8
139.03862	4.1
139.87718	0.8
140.04649	1.3
147.04405	31.5
147.05586	1.6
150.96904	4.1
151.03882	1.1
151.07530	5.1
153.05495	3.2
154.06287	1.5
155.07024	1.8
155.97415	1.2
163.03911	0.8
164.04688	13.5
165.05457	16.1
167.03488	0.7
167.06874	0.8
173.98497	2.6
176.64861	0.7
179.07040	8.9
180.06470	1.0
182.05676	1.6
196.91902	1.6
197.04428	1.1
197.08081	17.1
197.09885	1.0
198.18532	19.5
207.43056	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0809
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
52.03171	0.4
53.03936	1.2
55.01870	3.3
55.05257	0.7
55.05510	10.8
57.03433	0.9
62.67143	0.4
65.03930	2.8
66.50063	0.4
67.05515	4.0
68.99787	0.4
69.03411	0.6
69.07066	1.7
69.36901	2.3
70.95856	1.1
71.04987	0.7
72.93768	0.5
73.02919	19.3
74.87745	0.5
77.03931	0.5
77.77630	0.3
79.05490	1.6
81.07061	2.5
83.04985	8.2
83.08631	0.9
85.02922	0.4
85.06543	0.6
87.20522	0.3
91.05486	6.2
93.03417	1.0
93.07055	1.2
94.04203	0.7
95.04996	2.9
95.08607	1.1
97.06523	2.0
97.10180	0.5
98.23298	0.7
105.03382	3.4
105.07051	1.2
107.04966	0.9
107.08598	0.8
108.02105	2.6
109.02888	0.8
109.06524	3.2
109.10165	1.8
110.03664	2.6
111.04449	2.0
111.98466	1.1
119.04951	2.5
119.08591	0.9
121.06526	0.5
122.03666	0.6
123.04452	1.8
123.08087	0.5
123.11721	0.7
125.05994	14.4
132.95854	2.3
133.02902	2.5
133.10158	1.2
136.01601	0.6
137.02475	0.5
137.05988	6.0
137.09644	2.6
141.05487	2.7
147.04431	1.2
149.05986	3.1
150.09624	0.4
150.96916	2.1
151.03911	100.0
151.05009	8.9
151.07419	3.7
151.11191	0.7
152.04263	2.8
152.05307	0.5
153.05365	0.5
155.97429	1.3
161.09610	0.8
165.05479	1.2
173.98511	1.3
179.07034	17.5
179.10626	0.8
180.07352	0.5
182.05772	1.2
197.06178	0.7
197.08052	7.1
197.09830	0.6
197.11761	1.3
197.13409	0.5
198.18546	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	197.1171
Annotation	Tschimganical A
Peak:m/z	Relative Intensity
53.03945	1.7
55.01864	1.8
55.05508	16.0
57.03441	0.8
57.07076	2.4
59.04993	1.3
61.02913	1.1
62.73578	0.6
65.03941	1.5
67.05508	5.7
69.03420	1.5
69.07065	4.9
70.94504	1.1
70.95860	4.9
71.04978	2.0
72.04502	0.9
72.93789	3.0
73.02907	1.5
79.05489	10.6
81.07050	12.8
83.04973	8.9
83.08607	2.6
88.96919	0.7
91.05478	18.3
93.07039	23.5
95.04965	2.9
95.08622	6.0
97.06502	3.4
97.10164	1.2
102.96342	0.8
105.03419	1.8
105.07023	42.5
106.07319	0.7
107.04979	1.0
107.08586	100.0
108.08940	1.7
109.06513	6.1
109.10154	7.4
111.08073	0.6
111.98474	3.7
113.96443	0.8
116.97519	0.6
117.07037	1.2
119.04922	3.0
119.08577	34.9
120.08866	0.8
121.06495	3.1
121.10140	28.8
123.04443	1.2
123.08054	2.4
123.11701	3.6
125.05969	1.7
129.99519	1.8
131.08560	2.7
132.95818	7.7
133.02867	1.0
133.06482	1.0
133.10123	60.2
134.10452	1.7
135.11670	1.7
137.05960	7.0
137.09605	4.4
139.07503	3.3
143.08534	2.0
146.07314	0.8
149.09610	10.5
150.96878	13.4
151.07555	3.9
151.11168	18.5
155.97417	5.3
161.09610	15.8
161.13251	15.5
162.13599	0.9
165.05466	2.1
167.10672	27.7
173.98459	7.6
179.10660	33.1
180.11087	1.6
197.05983	1.2
197.07855	1.3
197.11710	43.9
198.12115	1.0
198.18517	45.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1173
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
52.23697	0.4
53.03946	0.6
55.01856	1.0
55.05506	2.7
57.03443	0.5
57.07087	1.7
57.48043	0.4
59.04997	1.2
65.03943	1.0
67.05502	3.7
68.99799	2.2
69.03431	1.1
69.07059	1.5
70.95862	3.3
71.04999	0.4
71.08631	1.2
72.93802	2.0
73.44940	0.3
77.03941	0.5
79.05489	3.2
81.03410	0.4
81.07060	4.2
83.04980	1.1
83.08630	1.3
85.06521	0.6
88.96904	0.7
91.05474	15.3
91.82985	0.3
93.07038	14.0
95.04961	4.2
95.08589	2.0
97.06529	0.8
97.10169	0.6
98.22541	0.7
100.07616	0.4
103.05437	0.6
105.04495	0.5
105.07024	16.9
107.04948	0.4
107.08588	38.7
108.08926	0.9
109.06499	3.7
109.10162	3.6
111.04416	0.5
111.08102	0.4
111.98470	2.5
112.35102	0.3
113.06015	0.4
115.05446	26.4
116.05785	1.3
117.06979	1.0
118.07800	0.4
119.04939	1.7
119.06075	0.4
119.08552	4.8
121.06506	3.8
121.10107	1.2
121.86894	0.3
123.04436	3.0
123.08035	0.8
123.11694	1.8
125.09597	0.3
128.06242	0.6
129.06934	0.4
129.99495	1.1
131.08554	1.6
132.95825	4.6
133.06480	0.8
133.10120	42.0
134.10458	1.5
135.08073	0.9
135.11682	31.8
136.12021	1.0
137.05986	3.2
137.09615	2.6
141.06982	66.4
142.07333	3.0
143.08493	0.5
145.06529	0.5
146.07271	1.3
150.96892	6.7
151.05421	0.6
151.07544	0.6
151.11171	3.3
151.97122	0.4
152.06187	0.8
155.04919	1.7
155.05994	0.5
155.97427	3.0
161.09599	18.8
162.09935	0.7
165.05380	0.4
168.05685	3.3
168.97787	0.4
169.06480	56.6
170.06763	2.5
170.15376	1.8
173.98494	4.6
179.06128	0.9
179.10660	57.3
180.11000	2.4
184.05264	0.6
196.91710	0.5
197.05969	100.0
197.11717	40.3
198.06302	6.1
198.12096	1.4
198.18523	20.6
213.53386	0.3
215.07014	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	197.1174
Annotation	Tschimganical A
Peak:m/z	Relative Intensity
53.03952	1.7
55.01876	1.7
55.05508	3.2
57.03438	2.3
57.07076	2.0
57.37840	0.5
59.04987	1.0
61.02929	1.8
65.03944	0.7
67.05508	6.4
68.99787	2.5
69.03430	2.5
69.07065	6.3
69.45531	3.1
71.04991	3.0
71.08644	0.5
73.02921	1.3
75.74927	0.5
76.70459	0.4
79.05492	10.2
81.03384	0.5
81.06578	0.6
81.07059	15.6
83.04977	1.9
83.08607	1.2
85.06547	7.9
87.04490	1.1
91.05482	18.1
93.07044	19.9
95.04970	6.5
95.08613	9.7
97.06519	1.7
97.10113	0.5
98.22399	0.4
99.08094	4.0
103.05492	0.7
104.33000	0.4
105.03394	0.8
105.07034	29.0
105.51267	0.5
106.07372	0.8
107.04942	1.5
107.08594	100.0
108.08937	2.0
109.06522	13.7
109.10158	5.9
110.06874	0.5
111.04442	1.0
111.08093	5.8
113.06010	14.4
115.05427	2.7
117.07010	1.0
118.07779	0.5
119.04955	3.4
119.06079	1.1
119.07751	0.8
119.08582	16.3
121.06509	2.2
121.10151	18.7
123.04433	14.0
123.08064	3.6
123.11708	3.4
125.05984	1.0
125.09634	1.5
127.03889	1.1
131.08562	3.4
132.95868	1.3
133.02888	1.1
133.06526	3.5
133.10129	56.7
134.10458	2.4
135.04436	0.8
135.11687	2.8
137.05974	8.0
137.09589	2.5
139.03886	0.9
139.07558	3.3
141.06996	2.1
143.08572	2.4
146.07216	1.3
147.04399	1.9
149.09612	9.6
150.96919	1.5
151.07550	18.1
151.11185	20.2
151.12427	1.0
152.07913	0.5
153.05475	0.7
153.09088	1.3
154.07803	0.5
155.07050	1.6
155.97423	0.6
161.05989	6.2
161.09621	16.8
161.13251	2.0
164.04669	1.9
165.05450	1.8
167.07059	2.0
167.10677	26.1
168.10989	0.8
169.06491	2.1
169.10126	0.9
173.98459	1.1
179.07056	31.6
179.10661	36.4
179.14085	2.3
180.07394	1.2
180.11018	1.1
197.06000	3.6
197.08089	9.9
197.11728	49.0
197.15427	1.8
198.12083	1.6
198.18532	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1537
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
53.03937	3.7
55.01842	1.8
55.05506	11.9
56.95003	1.5
57.03419	6.4
57.07060	5.9
67.05507	23.1
69.03416	3.4
69.06775	1.5
69.07072	20.2
69.21087	13.0
70.95846	2.9
71.04998	25.0
72.04489	1.8
77.03932	1.8
79.05486	28.6
81.07056	49.3
83.04982	2.0
83.08620	4.6
85.06541	58.6
85.07057	3.1
91.05480	23.3
93.07045	100.0
94.07342	2.8
95.04964	4.5
95.08603	93.4
97.06543	8.4
97.10139	3.5
98.23330	3.4
99.08097	3.6
105.07027	88.6
106.07339	3.1
107.08587	68.1
109.06524	10.5
109.10140	20.4
111.04409	1.8
111.08064	8.4
111.98437	1.9
117.07006	2.9
119.08579	54.2
119.09425	3.3
121.10147	30.2
123.04430	2.6
123.08018	6.3
123.11677	3.4
125.09632	2.3
132.95837	4.8
133.10126	78.8
135.11687	85.5
136.11975	3.0
137.05949	6.5
137.09616	7.7
137.13292	7.9
139.07516	3.2
141.06960	1.7
149.13251	2.2
150.96872	4.9
151.03946	2.9
151.11140	8.7
151.14839	1.9
155.08553	2.8
155.97482	3.1
161.13248	91.8
162.13603	4.4
165.05411	2.0
169.10135	1.9
173.98447	3.6
179.14302	84.8
197.08020	3.0
197.09705	2.3
197.13295	5.5
197.15349	55.3
198.15778	3.0
198.18526	43.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1537
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
53.03952	1.6
54.11750	1.6
55.01868	3.8
55.05508	18.7
57.03437	5.3
57.07072	5.8
59.05019	1.8
65.03922	2.1
67.05506	30.8
69.07068	22.3
70.85046	2.4
70.85361	1.6
71.04992	21.5
71.08652	1.7
73.60328	1.6
79.05495	29.7
81.06567	2.3
81.07055	70.9
83.04969	5.9
83.08601	8.9
85.06541	42.5
91.05474	33.4
93.07044	74.4
95.04965	5.8
95.08603	100.0
96.08986	2.7
96.09749	1.5
97.06529	14.5
97.10178	5.0
99.08105	4.6
105.07032	73.2
106.07386	2.1
107.04943	1.7
107.08589	49.2
107.09126	2.0
109.06509	12.5
109.10149	12.4
111.08076	7.5
111.22984	1.6
111.98566	1.5
113.09567	1.8
117.07019	2.6
119.05001	2.6
119.08575	58.3
120.08939	2.1
121.10145	26.8
121.51439	1.3
122.21770	1.9
123.04440	2.6
123.08073	7.9
123.11673	2.3
125.05876	1.6
129.82710	1.5
132.95804	3.2
133.02853	2.5
133.10124	72.4
135.11690	77.0
137.05957	10.6
137.09625	7.0
137.13258	12.9
147.04497	2.0
150.96872	3.6
151.11214	7.0
151.14798	3.4
153.05406	2.0
155.08511	2.2
155.97447	2.1
161.13251	99.5
162.13582	4.4
165.05482	4.2
167.07092	2.8
169.10159	2.3
173.98474	3.0
179.07062	2.6
179.14294	73.2
180.14690	1.9
182.10915	2.7
197.00856	2.2
197.08092	3.1
197.09644	2.6
197.13368	6.0
197.15335	45.0
198.18541	36.5
208.02090	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.5
55.01869	1.0
55.05508	6.3
57.03450	0.6
57.07076	3.4
58.06588	0.4
60.08163	8.8
61.02926	0.7
66.97508	0.2
67.05489	1.0
68.05025	2.8
69.03420	1.2
69.07065	5.7
69.61006	0.2
70.06589	8.0
71.04986	0.5
71.08622	0.8
71.31455	0.4
72.04501	0.7
72.08151	0.7
73.02924	0.7
74.09722	0.8
79.05492	1.2
81.03416	0.6
81.07044	1.2
82.06566	0.7
83.04976	0.5
83.08620	5.1
83.74242	0.3
84.04485	0.3
84.08150	0.4
85.02901	4.6
85.10169	0.3
86.06075	0.9
86.09688	0.6
93.07032	1.2
95.06088	35.8
95.08598	1.5
96.06415	0.4
96.08133	0.4
96.34872	0.3
97.02892	1.1
97.06516	1.1
97.10158	2.5
99.04469	0.4
100.02448	0.3
100.07619	1.4
101.00893	0.6
103.02438	0.3
106.06540	0.4
107.08591	0.7
111.04453	0.9
111.05591	0.8
111.08105	0.7
112.08786	0.4
114.09185	0.5
118.03484	0.5
119.01923	2.4
120.02015	2.0
121.01691	0.8
121.10139	0.8
123.04414	0.4
125.09660	0.4
127.03936	0.9
128.11659	0.3
131.01947	0.3
132.14287	0.3
133.03490	0.5
136.07567	0.5
137.02922	0.5
138.03043	0.5
138.05516	0.5
138.12756	0.3
139.02678	0.4
140.04684	0.8
145.04974	1.1
147.01363	0.3
152.07065	1.1
154.03488	0.4
154.13387	7.9
155.13661	0.3
156.17528	0.4
156.96240	0.4
156.97462	2.9
161.02925	0.4
170.06636	0.6
170.08012	0.3
173.02933	0.6
174.97054	0.5
174.98517	3.9
175.02696	0.3
179.99104	0.5
180.06541	1.0
181.02505	0.3
182.08139	1.9
188.07693	0.4
198.00153	0.9
198.06084	0.6
198.12639	1.6
198.18524	100.0
198.98535	0.5
199.18927	2.2
216.01176	0.6
216.07124	1.7
216.99504	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.06
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.7
51.04877	0.4
52.41029	0.3
53.03946	5.3
55.01849	1.3
55.05508	1.5
56.05822	0.5
57.07052	0.5
57.93543	0.8
58.07375	0.3
65.03933	3.7
67.05502	3.1
68.99764	0.5
69.03437	0.7
69.07043	1.2
70.07367	0.4
70.27633	1.0
71.04987	0.4
72.04495	0.7
74.09710	4.7
75.94598	0.4
77.03917	0.6
79.05470	0.9
81.03399	0.7
81.07052	0.7
82.04175	0.4
83.04971	0.6
83.08598	1.1
85.02915	0.4
85.06517	0.4
91.05476	0.3
93.03376	1.4
93.07015	1.1
95.04961	26.5
95.08630	0.4
96.05274	0.4
97.02892	2.3
97.06525	0.4
98.97584	2.0
100.07617	1.6
105.04514	2.3
106.51876	0.3
107.01321	0.4
107.08572	0.6
109.06499	0.8
110.03644	1.7
111.04431	4.0
111.08078	0.5
113.02335	0.9
116.97217	3.6
116.98573	2.3
117.47798	0.3
118.10330	0.3
119.08586	0.4
121.02834	2.2
121.10159	0.6
123.04425	11.4
125.02346	16.2
125.05964	0.5
126.02709	0.4
127.63351	0.3
131.99559	0.9
134.95796	0.5
134.99631	0.9
137.02304	0.4
138.03162	0.5
139.03874	0.8
140.04671	100.0
141.01814	1.3
141.05000	3.5
142.07718	0.4
143.08582	0.5
145.84137	0.3
148.38542	0.3
148.96146	0.3
149.02324	0.8
152.96936	1.0
155.07014	11.2
155.08308	0.7
156.04170	1.3
156.09328	0.7
157.10138	0.9
162.35222	0.4
166.02675	0.7
167.03401	1.4
169.01317	0.6
171.04337	0.4
171.06567	1.2
171.08015	0.4
171.11670	0.9
173.08104	1.0
175.98505	2.7
176.02287	0.6
181.04964	4.5
184.03668	1.0
185.04443	0.4
199.06006	2.1
199.07567	0.6
199.11113	0.5
199.14886	1.2
199.18883	19.2
200.18985	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.06
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	0.7
53.03943	4.5
55.01861	1.5
55.05486	0.9
56.05834	0.3
56.96561	0.2
57.93549	0.3
65.03936	3.7
67.05498	3.3
69.03418	0.3
69.07059	0.5
69.28004	1.3
74.09721	2.5
77.03912	0.7
79.05479	0.8
81.03395	0.8
81.07034	0.6
82.04179	0.4
83.08614	0.6
84.08937	0.3
91.05450	0.6
92.48535	0.2
93.03391	1.3
93.07037	1.1
94.04169	0.3
95.04961	24.7
95.08604	0.2
96.05293	0.5
97.02893	2.3
97.06486	0.5
98.97569	1.0
100.07598	0.7
105.04509	2.8
107.01302	0.4
108.02103	0.4
109.02837	0.4
109.06458	0.5
110.03658	1.7
111.04447	3.0
116.97208	2.3
116.98605	0.7
117.67145	0.2
120.02083	0.6
121.02847	2.1
121.03912	0.4
121.06506	1.1
123.04421	12.1
124.04739	0.5
125.02348	14.8
126.02673	0.4
131.99529	0.7
134.95918	0.3
134.99660	0.6
137.02347	0.6
137.05980	0.3
138.03110	0.5
139.03902	0.8
139.07530	0.5
140.04671	100.0
141.05029	2.7
149.02362	0.7
149.05997	0.3
152.96939	0.8
153.05476	1.3
154.08626	0.2
155.07013	12.0
156.07336	0.2
156.09317	0.3
163.11328	0.2
166.02617	0.6
167.03418	1.4
167.07025	2.3
173.08125	1.1
175.98534	1.6
176.02328	0.3
181.03293	0.3
181.04922	4.4
181.10059	0.3
184.03670	0.4
198.99203	0.5
199.05989	0.6
199.11163	0.3
199.18880	9.2
200.18944	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.06
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.7
51.04877	0.4
52.41029	0.3
53.03946	5.3
55.01849	1.3
55.05508	1.5
56.05822	0.5
57.07052	0.5
57.93543	0.8
58.07375	0.3
65.03933	3.7
67.05502	3.1
68.99764	0.5
69.03437	0.7
69.07043	1.2
70.07367	0.4
70.27633	1.0
71.04987	0.4
72.04495	0.7
74.09710	4.7
75.94598	0.4
77.03917	0.6
79.05470	0.9
81.03399	0.7
81.07052	0.7
82.04175	0.4
83.04971	0.6
83.08598	1.1
85.02915	0.4
85.06517	0.4
91.05476	0.3
93.03376	1.4
93.07015	1.1
95.04961	26.5
95.08630	0.4
96.05274	0.4
97.02892	2.3
97.06525	0.4
98.97584	2.0
100.07617	1.6
105.04514	2.3
106.51876	0.3
107.01321	0.4
107.08572	0.6
109.06499	0.8
110.03644	1.7
111.04431	4.0
111.08078	0.5
113.02335	0.9
116.97217	3.6
116.98573	2.3
117.47798	0.3
118.10330	0.3
119.08586	0.4
121.02834	2.2
121.10159	0.6
123.04425	11.4
125.02346	16.2
125.05964	0.5
126.02709	0.4
127.63351	0.3
131.99559	0.9
134.95796	0.5
134.99631	0.9
137.02304	0.4
138.03162	0.5
139.03874	0.8
140.04671	100.0
141.01814	1.3
141.05000	3.5
142.07718	0.4
143.08582	0.5
145.84137	0.3
148.38542	0.3
148.96146	0.3
149.02324	0.8
152.96936	1.0
155.07014	11.2
155.08308	0.7
156.04170	1.3
156.09328	0.7
157.10138	0.9
162.35222	0.4
166.02675	0.7
167.03401	1.4
169.01317	0.6
171.04337	0.4
171.06567	1.2
171.08015	0.4
171.11670	0.9
173.08104	1.0
175.98505	2.7
176.02287	0.6
181.04964	4.5
184.03668	1.0
185.04443	0.4
199.06006	2.1
199.07567	0.6
199.11113	0.5
199.14886	1.2
199.18883	19.2
200.18985	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0965
Annotation	Suspenolic acid
Peak:m/z	Relative Intensity
50.59046	0.5
51.02351	0.8
53.03891	5.6
55.01819	5.8
55.05453	4.1
56.05800	0.6
56.96529	1.2
57.03395	1.0
57.07035	1.2
65.03883	1.7
67.05502	5.7
69.03368	3.4
69.07056	3.0
71.04951	1.2
71.30703	0.9
72.04456	0.8
72.08123	0.7
74.09724	5.2
77.03873	1.5
79.05494	23.6
81.03384	0.9
81.07059	7.7
83.04920	2.2
83.08547	1.5
85.02856	0.8
89.05994	0.8
91.05482	21.0
92.05760	0.8
92.69133	0.6
93.03371	0.8
93.07045	39.9
94.04191	0.7
94.07343	1.2
95.04975	15.9
95.08564	1.7
97.02856	1.3
97.06530	4.3
98.97575	5.4
99.04398	0.8
100.07512	1.5
100.11200	1.8
103.05469	4.5
105.03355	0.7
105.04463	2.8
105.06969	2.3
107.01279	0.6
107.04958	4.0
107.08540	1.4
108.02068	0.6
109.06464	2.7
110.03619	0.9
111.04447	6.5
111.08100	4.4
111.11624	0.7
115.05439	1.1
116.97285	3.5
116.98589	2.5
117.06965	0.8
119.04962	0.7
121.02819	1.2
121.06507	48.4
122.03625	0.8
122.06804	1.4
123.04431	5.5
123.08069	15.7
124.07594	0.9
125.02361	4.9
125.05930	1.4
128.06186	1.9
129.06920	0.7
130.45319	0.7
131.04869	1.0
131.99510	1.5
134.99622	1.6
135.08070	1.4
136.07512	0.9
137.04987	0.6
137.05989	12.8
139.03893	1.6
139.07542	31.2
140.04686	29.4
140.05801	1.0
141.04915	0.8
141.06931	1.5
143.08528	1.7
149.02419	0.6
149.05980	13.1
152.96928	1.3
153.05446	1.4
153.09094	0.8
155.07016	3.6
156.09344	0.8
157.10158	0.7
163.07588	1.4
167.07040	100.0
168.07372	2.6
171.08029	1.7
171.11621	0.8
175.98572	2.9
177.00751	1.0
181.04951	1.9
181.08603	2.7
181.10005	0.9
182.08174	2.7
184.05270	0.9
192.47780	0.6
198.99185	0.6
199.06100	0.7
199.07559	3.3
199.09430	0.9
199.11208	1.6
199.18900	22.9
200.04996	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36507	1.2
52.62733	1.0
53.03947	2.6
55.01873	5.2
55.05507	12.6
56.05833	1.6
57.03209	1.2
57.03444	11.3
65.03927	1.8
66.10435	1.1
67.05505	12.1
69.03424	4.7
69.07056	6.0
69.41661	7.6
71.04990	32.3
71.77072	1.2
73.06601	1.2
74.09713	4.2
79.05484	23.1
81.07057	38.0
83.04975	6.5
83.08616	2.0
85.06535	6.9
89.68839	1.3
91.05473	10.8
93.07041	70.3
94.07389	2.2
95.04960	8.2
95.08609	6.6
97.06519	6.6
98.97574	3.0
99.04433	1.4
101.06004	4.2
103.05476	1.4
105.07027	13.4
107.08587	17.8
109.06517	23.2
109.10176	3.4
111.04441	7.0
111.08099	5.9
115.05426	1.5
116.97213	1.6
117.07026	6.0
119.08582	21.0
121.06535	6.4
121.10140	80.9
122.10471	1.9
123.08069	21.0
125.06017	1.7
125.09634	1.4
127.07551	11.6
128.06215	1.8
129.07042	1.4
130.07777	3.8
135.08020	2.9
135.11688	14.8
137.09644	1.4
139.03888	2.8
139.07558	13.2
139.11186	9.7
140.04697	2.4
142.07805	1.6
143.08559	2.8
145.10120	44.9
146.10461	2.9
153.05438	1.6
153.12762	2.7
157.10141	2.3
163.11179	100.0
164.11568	2.7
169.10175	1.4
171.08119	1.7
175.98557	1.3
181.12230	81.1
182.12601	3.1
199.03778	1.1
199.05992	1.9
199.11345	1.6
199.13289	3.1
199.14851	2.7
199.18872	17.1
200.91496	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55895	0.4
50.72431	0.3
53.03945	0.7
65.03926	0.4
67.05513	0.9
69.26180	2.7
69.96819	0.3
84.83743	0.3
91.05479	4.9
103.05446	2.0
105.07030	17.7
114.94315	0.3
115.05449	8.1
116.06276	0.7
117.07021	10.4
118.96773	1.6
119.08601	0.9
127.05396	0.9
128.06216	22.9
129.07021	10.4
130.07779	48.0
131.04846	0.4
131.08501	1.2
133.06526	0.5
133.99211	0.4
141.06981	2.8
142.07758	2.2
143.08556	59.1
144.05687	1.0
144.08856	2.2
145.06480	2.1
145.10117	61.2
146.10429	2.2
147.08080	0.6
152.06223	1.0
153.06976	5.9
154.07793	2.5
155.06010	2.4
155.08549	19.2
156.08913	1.1
157.06496	6.4
158.07265	100.0
159.07607	3.3
159.11707	0.5
163.52998	0.3
171.04434	3.3
171.08044	3.2
172.08823	1.3
173.09616	66.8
174.09962	2.6
174.18542	0.4
175.07457	0.6
177.98050	1.1
183.09222	9.1
185.06052	1.4
186.06754	18.5
187.07050	0.9
189.09082	2.4
199.07555	0.5
201.09096	31.1
201.12643	0.9
201.16400	1.7
202.09471	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.091
Annotation	3-methoxy-5-phenylphenol
Peak:m/z	Relative Intensity
53.03936	0.6
55.05505	1.0
59.93130	0.7
67.05517	1.3
69.07071	0.9
69.40236	1.9
69.40647	2.3
79.05499	1.1
81.07059	2.2
91.05468	7.5
93.07041	1.4
95.08617	1.5
103.05463	1.5
105.07025	19.8
105.07722	1.3
107.08582	1.4
109.10139	0.7
115.05455	10.4
116.06223	1.2
117.07008	16.9
118.96758	6.1
119.08585	2.5
121.10118	0.9
123.05537	0.7
127.05444	0.9
127.34222	0.6
128.06212	22.8
129.07007	13.6
130.07784	48.2
131.08607	6.0
133.10146	1.0
133.99123	1.2
141.06970	3.5
142.07748	2.8
143.08556	57.7
144.05719	1.8
144.08939	0.7
145.06535	3.9
145.10118	65.4
146.10451	2.6
147.07997	0.7
152.06172	0.8
153.06970	6.4
154.07774	2.6
154.96463	2.2
155.06030	2.2
155.07257	1.0
155.08548	19.5
156.08870	1.1
157.06497	7.8
157.10085	0.8
158.07263	100.0
159.07700	4.1
159.11699	6.2
169.06403	1.5
171.04410	3.4
171.08049	4.6
172.08842	1.7
173.09618	69.5
173.13243	2.3
174.09952	2.6
177.98051	4.3
183.09215	9.3
185.05981	1.8
186.06754	21.8
186.11523	1.0
187.07138	1.4
189.09085	2.2
200.08379	0.7
201.09090	48.5
201.12526	3.1
201.16370	8.6
202.09430	2.2
204.66600	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1274
Annotation	Lacinilene A
Peak:m/z	Relative Intensity
51.60188	1.3
55.05497	1.8
57.07060	2.5
59.93115	2.0
65.98614	1.3
67.05496	8.4
69.03411	2.4
69.07065	4.4
71.32392	2.1
74.98212	1.2
77.94154	1.7
79.05476	5.3
81.07044	8.4
91.05470	12.3
93.07034	9.6
95.04967	3.0
95.08602	4.3
103.05482	1.6
105.07030	16.4
107.08591	5.1
109.10159	10.0
115.05449	4.6
116.06208	2.1
117.07025	10.9
118.96752	13.3
119.08575	20.1
121.06484	2.1
128.06192	5.6
129.07007	7.3
130.07780	4.6
131.08560	44.1
133.10124	39.0
133.99091	2.4
134.10410	2.1
141.06950	4.1
142.07732	1.9
143.08559	33.6
144.09332	9.2
144.99286	1.6
145.06470	5.1
145.10121	48.9
147.05597	1.6
147.07970	1.5
150.95676	2.6
154.96490	4.5
155.08528	5.6
156.09317	2.9
157.06464	2.2
157.10146	7.1
158.03699	1.8
158.07301	7.7
158.10905	38.7
159.08081	10.0
159.11687	19.0
160.04549	1.7
160.69116	1.5
168.09322	3.7
169.06326	1.4
171.08014	9.0
171.11568	2.4
172.08823	13.6
173.06027	3.7
173.09662	13.7
173.13251	100.0
174.13583	2.0
177.98042	10.0
183.11757	3.6
186.06728	3.8
186.10381	41.2
187.10782	2.4
201.05492	6.0
201.09058	15.6
201.12729	64.3
201.16391	24.6
201.20372	4.2
202.13028	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	201.1638
Annotation	alpha-Corocalene
Peak:m/z	Relative Intensity
55.05497	1.5
56.41798	0.6
57.07067	2.6
59.56656	0.6
61.53926	0.6
62.89017	0.5
67.05500	2.2
68.12736	0.6
69.07050	2.2
69.17429	0.6
71.31837	0.7
79.05491	3.0
81.07054	4.9
91.05475	8.8
93.07037	3.6
95.08617	6.2
105.07027	11.2
107.08599	7.1
108.57386	0.6
109.10139	0.6
115.05440	1.0
116.06240	1.5
117.07024	6.6
119.08576	9.0
121.10136	1.8
121.85270	0.6
128.06212	1.1
129.06992	4.2
130.07813	3.8
131.08568	55.6
132.08913	1.7
133.10123	14.2
142.07817	1.0
143.08586	4.1
144.09340	5.3
145.10123	37.3
146.10635	1.2
147.11678	0.8
157.10118	9.7
158.10866	2.5
159.11696	53.2
160.12029	2.2
171.11661	4.9
172.12460	5.1
173.11844	1.1
173.13272	15.2
174.13542	1.0
177.98094	0.9
186.14000	5.8
201.16383	100.0
202.16771	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	201.1637
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
51.02370	0.3
53.03943	0.5
55.05505	2.7
56.62640	0.3
57.07078	1.1
65.03951	0.9
67.05502	5.8
67.30634	0.2
68.05830	0.4
69.07069	3.8
69.41046	0.6
69.41451	1.2
74.46631	0.3
77.03941	0.5
79.05489	6.7
81.07051	28.8
82.07385	0.6
83.08629	1.0
90.42421	0.3
91.05475	9.5
93.07042	13.6
95.04961	0.5
95.08599	17.6
96.08955	0.4
98.22585	0.5
103.05470	0.7
105.07025	21.6
106.07345	0.3
106.43165	0.2
106.48065	0.3
107.08586	18.6
108.08891	0.4
109.06553	0.4
109.10149	5.9
115.05459	0.8
116.06255	0.7
117.07011	11.0
119.08575	21.8
120.08945	0.6
121.10140	8.6
128.06210	0.9
129.06990	3.4
130.07784	5.7
131.08559	28.9
132.08940	0.3
133.10124	7.3
135.11649	0.3
142.07785	0.8
143.08574	3.7
144.09329	7.3
145.10115	62.4
146.10941	6.1
147.11670	1.8
157.10121	4.8
158.07246	0.3
158.10959	1.9
159.11682	80.9
160.12032	3.3
171.11652	2.3
172.12457	1.4
173.13251	19.2
174.13664	0.6
186.13994	2.6
187.07642	0.4
199.14767	1.1
201.16370	100.0
202.09879	0.7
202.16707	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	201.1638
Annotation	alpha-Corocalene
Peak:m/z	Relative Intensity
53.03937	0.8
55.05500	2.0
57.07081	3.1
62.93528	0.5
67.05505	3.3
69.07059	3.3
69.99438	2.3
79.05499	3.8
81.07053	4.8
91.05482	9.4
93.07041	4.8
95.08607	6.9
99.01118	0.5
103.10095	0.5
105.07027	11.3
107.08584	6.5
109.10143	1.9
115.05410	1.4
116.06242	1.6
117.07015	8.8
119.08583	9.5
121.10119	2.7
128.06227	1.1
129.06999	4.4
130.07784	4.4
131.08565	60.6
132.08925	1.6
133.10130	13.8
142.07785	1.6
143.08553	6.2
144.09341	5.5
145.10123	42.9
146.10645	0.7
147.11606	0.8
156.09265	0.6
157.10118	13.3
158.10919	2.7
159.11691	54.7
160.12102	1.8
171.11690	5.6
172.12479	5.8
173.13254	16.5
186.14015	4.9
199.14851	0.9
201.16382	100.0
202.16689	4.4
215.12607	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.0558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	3.8
55.05494	5.0
55.93510	6.6
59.05001	3.8
60.05630	4.1
61.65487	2.8
62.06062	5.5
70.06588	100.0
71.04967	4.5
71.06110	23.8
71.31863	3.6
71.92976	5.3
72.08134	11.8
72.93776	7.0
73.18375	3.5
73.27718	3.5
79.84043	3.2
81.03376	4.2
82.01428	6.5
82.59116	3.9
84.04493	3.8
84.08112	8.9
88.08762	21.2
90.94820	7.3
100.02470	25.8
101.00856	25.2
102.09178	22.6
107.95076	3.7
112.11218	3.6
114.05492	9.8
115.08688	4.4
116.07088	35.8
118.03495	20.8
119.01916	88.6
120.02013	9.8
125.96027	4.1
130.06529	44.4
133.03426	3.7
133.09702	3.4
137.02954	23.7
138.03040	4.5
138.96379	5.3
142.03456	17.1
143.01886	8.1
143.03603	5.2
148.97717	5.1
156.04405	4.4
156.06519	8.9
156.97490	34.4
157.07605	63.8
158.12897	16.7
160.04509	19.5
161.02940	34.8
161.04596	11.4
172.10780	7.4
174.05397	5.6
174.98523	33.4
178.05586	7.3
179.04012	13.0
179.05634	7.0
179.99118	39.3
198.00336	29.4
202.07285	4.2
202.10811	6.0
202.18013	15.7
203.05275	9.9
203.08177	24.9
203.15086	33.1
220.02177	13.3
221.01750	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	203.0525
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14515	0.1
55.01867	0.3
57.03432	2.3
57.03691	0.3
57.04554	0.2
58.06607	0.5
59.04994	0.6
59.07377	0.2
60.08160	12.5
70.06587	8.0
70.77873	0.3
70.78227	0.4
71.04984	0.7
71.06110	2.5
72.04495	0.4
72.08146	0.5
75.04449	0.2
79.02048	0.2
84.08134	0.6
85.02900	100.0
85.13760	0.1
86.06078	0.2
88.08740	2.4
90.11203	0.2
94.93020	0.9
97.02896	0.3
98.06071	0.4
100.07611	4.2
101.00880	0.5
103.03933	0.3
113.07160	0.2
114.05515	0.5
115.08690	0.7
115.28348	0.2
116.07083	3.5
117.05456	0.2
119.01919	0.7
126.09167	0.3
129.07878	0.3
131.01877	0.2
133.09706	0.3
134.08110	0.3
143.01897	0.4
144.06551	0.3
144.10190	2.7
145.04947	7.0
158.08118	0.4
158.09297	0.3
158.12885	2.1
161.02937	0.8
171.02888	0.6
172.10802	0.6
173.02995	0.3
202.88985	0.4
203.05255	10.1
203.15131	3.4
204.08659	0.6
204.12250	14.4
212.28931	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0525
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14515	0.1
55.01867	0.3
57.03432	2.3
57.03691	0.3
57.04554	0.2
58.06607	0.5
59.04994	0.6
59.07377	0.2
60.08160	12.5
70.06587	8.0
70.77873	0.3
70.78227	0.4
71.04984	0.7
71.06110	2.5
72.04495	0.4
72.08146	0.5
75.04449	0.2
79.02048	0.2
84.08134	0.6
85.02900	100.0
85.13760	0.1
86.06078	0.2
88.08740	2.4
90.11203	0.2
94.93020	0.9
97.02896	0.3
98.06071	0.4
100.07611	4.2
101.00880	0.5
103.03933	0.3
113.07160	0.2
114.05515	0.5
115.08690	0.7
115.28348	0.2
116.07083	3.5
117.05456	0.2
119.01919	0.7
126.09167	0.3
129.07878	0.3
131.01877	0.2
133.09706	0.3
134.08110	0.3
143.01897	0.4
144.06551	0.3
144.10190	2.7
145.04947	7.0
158.08118	0.4
158.09297	0.3
158.12885	2.1
161.02937	0.8
171.02888	0.6
172.10802	0.6
173.02995	0.3
202.88985	0.4
203.05255	10.1
203.15131	3.4
204.08659	0.6
204.12250	14.4
212.28931	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	44.5
55.05486	3.0
55.93530	3.9
57.00253	2.3
57.03421	4.1
60.08185	2.5
66.56968	2.2
69.03419	5.2
70.06590	47.1
71.04984	4.1
71.06107	10.6
72.08138	4.2
84.04494	5.7
85.02898	27.3
86.09708	13.3
87.04471	11.4
87.04948	2.1
88.08765	15.6
89.96459	2.6
91.05479	5.6
97.02901	14.4
100.02470	8.1
101.00827	3.8
105.07019	5.6
107.95064	3.0
112.11201	5.0
114.05557	4.3
115.03906	17.2
115.05444	2.8
115.08659	3.9
116.07092	17.0
118.03514	5.4
119.01902	5.3
119.04924	4.4
119.08542	3.2
120.96536	4.4
125.02386	11.3
129.05476	100.0
129.13914	2.9
130.06551	5.5
132.10211	8.9
134.08105	2.3
134.99644	2.6
137.02933	5.4
143.08487	2.4
144.06575	5.2
147.04393	15.5
148.97758	5.2
151.62115	2.6
156.97462	4.1
157.04901	5.1
158.08128	3.8
158.12865	9.9
161.02960	5.9
172.10794	3.8
174.98564	2.7
175.03914	9.2
175.06001	4.1
175.07492	5.1
177.00940	2.4
179.99048	3.2
185.09761	2.4
197.99059	3.0
203.03366	10.0
203.05267	30.6
203.06915	4.7
203.11061	3.6
203.15036	21.3
203.17990	3.9
204.08656	3.2
204.13631	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	203.1066
Annotation	Tremetone
Peak:m/z	Relative Intensity
54.31402	0.4
55.05516	1.1
57.07099	0.5
58.60082	0.4
61.09142	0.3
62.71844	0.4
67.05509	1.9
67.69127	0.4
69.07069	1.0
69.22427	1.3
69.22849	2.2
79.05471	0.8
81.07060	2.5
83.08617	0.5
91.05464	2.3
93.07051	1.5
95.08601	3.7
103.05498	0.6
104.35767	0.4
105.07025	5.7
106.11602	0.4
107.04939	0.5
107.08583	1.9
109.10143	2.2
115.05440	1.8
117.07021	1.7
119.08588	6.9
121.10102	3.0
128.06215	13.1
129.07051	2.1
130.07797	0.8
131.08554	1.2
132.09366	0.5
132.97351	0.4
133.06485	0.5
133.10126	6.8
141.06978	0.7
142.07777	2.5
143.08559	42.5
144.08978	1.3
145.06482	11.3
145.10121	6.2
146.10542	0.5
147.08003	1.0
147.11685	5.6
155.06059	1.0
155.08617	0.4
157.06467	1.3
157.10126	1.6
158.07240	1.2
159.08055	2.7
159.11682	1.2
160.08838	6.2
161.06006	0.5
161.09547	1.5
161.13235	2.8
171.08049	27.0
172.08826	8.7
173.05975	16.1
173.09384	0.9
174.06613	1.3
175.07596	2.3
175.11174	2.9
175.14842	1.0
185.09526	0.8
185.13287	1.1
187.07561	0.8
188.08319	86.4
189.08665	3.9
197.00044	0.4
203.10661	100.0
203.14400	2.7
203.17966	8.7
204.11003	4.9
204.18307	0.5
221.68431	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1065
Annotation	Ligujapone
Peak:m/z	Relative Intensity
51.02389	0.6
53.03949	2.5
55.01877	2.1
55.05509	18.8
56.05836	0.7
57.03418	0.7
59.00136	0.6
61.42707	0.6
65.03941	2.5
66.53173	0.5
67.01868	0.6
67.05502	14.3
67.05855	1.2
69.03427	77.9
69.07066	1.3
70.06585	0.6
70.73730	0.8
70.74055	1.1
72.08156	8.4
72.59166	0.6
75.02357	0.7
77.65195	0.6
79.05490	7.5
81.03431	1.0
81.07059	3.1
83.04985	2.3
84.08168	0.6
85.02911	0.6
86.44138	0.6
91.05475	20.3
92.24296	0.5
92.80318	0.5
93.07038	8.9
93.07588	0.9
95.04961	13.9
97.02879	0.8
97.06556	1.3
103.05470	4.6
103.59220	0.6
105.07026	100.0
106.07367	2.0
107.04955	2.2
107.08578	5.3
109.06535	2.0
111.04444	1.0
112.11210	1.6
113.05965	0.9
115.05432	4.1
116.06259	1.7
117.07001	7.6
118.08659	1.8
119.04945	2.4
119.08577	42.7
120.05738	1.1
120.08906	1.2
121.06495	32.9
121.10142	1.2
122.06834	1.1
125.09656	1.0
128.06223	4.2
129.05531	1.0
129.07011	9.5
129.13861	1.1
130.06512	1.5
130.07744	1.4
131.04915	1.9
131.08569	6.9
132.05672	0.7
132.09288	0.8
133.06479	14.2
133.10117	17.6
134.10451	0.8
135.04440	0.7
135.08052	6.0
141.06984	5.2
142.07777	27.9
143.08565	5.8
144.05647	1.0
144.09337	2.5
145.06483	9.5
145.08971	0.7
145.10117	14.1
146.07266	9.3
147.04425	3.5
147.08046	13.3
147.11685	26.0
149.06050	0.7
152.06230	1.5
153.06964	1.0
155.08553	6.3
157.06430	2.5
157.07594	1.4
157.10126	28.1
158.07230	8.4
158.10493	0.9
158.11746	1.4
159.08066	6.5
159.11687	3.0
160.05203	1.3
160.08835	17.9
161.05954	5.7
161.09607	34.5
161.13214	0.9
162.09956	1.3
167.08609	1.2
169.06497	0.7
170.07283	4.5
171.07990	0.8
173.05972	1.0
173.09613	12.4
174.06735	7.3
175.03836	1.3
175.07590	5.6
175.11177	40.9
176.11523	2.0
185.05937	1.0
185.09593	16.0
185.13232	1.5
186.05606	0.6
186.09961	1.0
188.08321	5.5
203.03360	2.2
203.05295	1.2
203.06790	3.1
203.10652	48.2
203.14345	6.5
204.10989	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1067
Annotation	Tremetone
Peak:m/z	Relative Intensity
55.05501	0.8
57.07068	0.4
67.05514	2.1
69.07075	1.5
70.33211	0.7
77.03919	0.3
79.05492	1.2
81.07056	3.3
83.08632	0.6
91.05476	3.2
93.07051	1.7
95.08613	4.9
103.05464	0.4
105.07027	7.0
107.08590	2.8
109.06567	0.3
109.10155	2.9
115.05445	1.9
117.07006	1.5
119.08577	6.7
121.10139	2.4
123.11703	0.8
126.05498	0.4
127.05483	0.4
128.06223	12.2
129.07085	1.7
130.07796	0.3
131.08563	1.3
133.06447	0.4
133.10146	4.3
138.05438	0.7
141.07004	0.8
142.07765	2.2
143.08560	36.2
144.08987	1.1
145.06485	9.0
145.10117	6.1
146.06998	0.3
147.08064	0.7
147.11688	6.9
155.06038	1.1
155.08545	0.5
156.05658	0.3
157.06541	1.6
157.10164	1.5
158.07253	1.1
159.08046	3.0
159.11642	0.7
160.05173	0.8
160.08849	6.5
160.12350	0.4
161.06001	2.4
161.09589	0.7
161.13249	2.5
170.07237	0.5
171.08054	21.2
172.08836	9.4
173.05981	14.8
173.09254	0.6
174.06564	1.3
175.07535	1.8
175.11182	3.8
175.14798	1.0
185.09564	0.6
185.13264	1.3
187.07558	0.6
188.08322	86.5
189.08655	4.1
203.06947	2.8
203.10666	100.0
203.14355	3.2
203.17943	8.4
204.11005	4.7
204.18346	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1066
Annotation	Tremetone
Peak:m/z	Relative Intensity
53.03948	0.3
55.05508	1.8
56.77646	0.4
65.94310	0.4
67.05505	2.0
67.93645	0.4
69.07072	1.6
69.20191	3.1
79.05481	2.2
81.07063	3.5
83.08620	0.6
91.05474	3.8
93.07036	3.1
95.08602	6.3
103.05419	0.5
104.89997	0.3
105.07030	6.8
107.08591	3.8
109.10155	3.8
113.05288	0.4
115.05453	1.7
117.07010	2.0
119.08578	6.4
119.87328	0.4
121.10146	2.6
123.11700	0.6
128.06216	12.6
129.07072	2.0
130.07777	0.7
131.04858	0.5
131.08562	1.2
132.09364	0.5
133.06451	0.6
133.10138	6.1
135.11720	0.8
141.06981	1.1
142.07805	2.5
143.08563	37.2
144.08865	1.8
145.06482	11.2
145.08983	0.6
145.10121	9.2
146.10481	0.6
147.08092	0.8
147.11685	7.6
155.06042	1.0
155.08397	0.4
157.06447	1.8
157.10126	1.9
157.21573	0.4
158.07289	1.6
159.08047	2.3
159.11688	1.2
160.08847	7.8
160.12500	0.4
161.05991	1.0
161.09581	1.0
161.13252	3.4
170.07227	0.4
171.08055	19.3
172.08818	9.5
173.05977	16.5
173.09300	0.6
174.06523	0.9
175.07524	1.6
175.11183	4.0
175.14833	1.1
179.97897	0.4
185.09637	0.7
185.13295	1.9
187.07507	0.9
188.08325	95.7
189.08664	4.0
203.10667	100.0
203.14389	2.8
203.17952	12.4
204.11008	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	203.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68014	0.4
53.10610	0.4
53.64874	0.4
55.05510	1.2
58.88377	0.4
61.54254	0.4
67.05497	1.5
69.07058	0.7
69.49146	2.2
74.61731	0.4
79.05479	0.8
81.07056	1.3
83.79440	0.4
91.05486	2.5
93.07053	0.7
95.08588	2.7
98.22622	0.5
103.05460	0.6
103.19918	0.4
105.07017	4.9
107.08592	1.1
109.10143	1.5
115.05463	1.8
117.07011	1.9
119.08575	6.5
121.06528	0.6
121.10117	1.2
128.06218	17.0
128.07173	0.9
129.07088	2.1
130.07790	0.6
131.04938	0.5
131.08568	1.1
133.06439	0.7
133.10129	6.5
141.06979	0.7
142.07759	2.3
143.08559	49.0
144.08914	2.1
145.06474	11.4
145.10129	6.8
146.07275	0.8
147.08055	0.7
147.11708	3.4
155.06018	1.3
155.08542	0.6
157.06490	1.7
157.10121	1.8
158.07147	0.9
159.08063	2.9
159.11726	0.5
160.08813	6.4
161.06009	1.0
161.09663	2.1
161.13257	1.8
162.06763	1.2
171.08051	34.3
172.08823	9.4
173.05977	15.9
173.13275	0.5
174.06667	1.2
175.07516	3.8
175.11171	4.8
175.14806	0.8
185.09634	1.0
185.13310	0.7
187.07465	1.0
188.08318	83.0
189.08652	3.6
197.23560	0.4
203.10664	100.0
203.17975	5.0
204.11009	3.9
204.13940	0.5
208.79375	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1067
Annotation	Ligujapone
Peak:m/z	Relative Intensity
52.18081	0.3
53.03935	0.6
55.01871	0.6
55.05506	1.3
56.05026	0.8
57.07067	0.4
60.04520	0.5
60.82106	0.3
61.02922	0.8
65.03944	0.3
67.05508	2.3
69.03425	1.4
69.07070	1.5
70.06584	0.8
70.57555	0.7
75.51288	0.3
79.05494	1.5
80.05012	0.8
81.03403	1.1
81.07061	3.7
83.01331	0.7
83.08615	0.6
84.04506	10.8
91.05469	3.6
93.07043	2.1
95.08604	5.6
96.04494	7.3
97.02899	2.1
98.06062	3.8
98.22630	0.3
99.04444	0.8
101.76701	0.3
103.05465	0.7
105.07024	8.3
107.08589	2.9
109.02878	2.4
109.10152	3.6
114.05498	0.4
115.05444	2.6
117.06999	1.8
119.08577	8.6
121.06498	0.3
121.10114	1.6
123.11735	0.5
124.03955	0.4
126.05511	12.8
127.03904	1.1
127.05431	0.4
128.06209	12.4
129.07024	2.4
130.07790	0.7
131.04947	0.3
131.08554	1.8
132.05751	0.4
133.06522	0.7
133.09178	0.7
133.10127	8.0
135.11684	0.6
138.05496	30.2
141.06989	1.2
142.07768	2.6
143.08560	34.6
144.05473	0.4
144.06567	8.0
144.08972	1.3
145.06485	10.4
145.10110	7.1
146.07178	0.3
146.10519	0.3
147.08044	1.4
147.10571	0.6
147.11690	7.8
153.06990	0.4
155.06041	0.8
155.08543	0.3
157.06448	1.7
157.10092	1.7
158.07265	1.1
159.08055	2.9
159.11661	1.4
160.05164	1.3
160.08835	5.8
160.12485	0.7
161.05997	4.0
161.09552	1.2
161.13243	3.5
166.16603	0.3
168.06525	2.9
170.07254	0.6
170.10873	0.9
171.04431	0.3
171.06544	0.7
171.08046	16.8
172.08832	9.4
173.05977	17.1
173.09309	0.6
173.13350	0.4
174.06552	1.3
175.07524	2.3
175.11189	4.3
175.14839	1.4
185.09607	1.0
185.13231	0.9
186.07574	1.0
187.07570	0.9
188.08319	86.0
189.08659	3.4
203.07005	5.6
203.10666	100.0
203.14362	3.4
203.17967	10.5
204.08835	0.5
204.10994	4.0
220.60194	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25312	1.3
53.03957	1.4
55.01873	2.5
55.05505	8.2
57.03428	4.4
58.99599	1.9
59.04989	2.1
66.86178	1.2
67.05167	1.7
67.05505	16.4
69.03419	4.6
69.07063	7.4
70.61539	2.6
71.04992	100.0
77.29333	1.1
79.05492	26.1
81.03429	1.3
81.07054	11.2
83.04980	11.6
85.02898	4.0
85.06528	3.7
86.15332	1.2
87.04459	3.9
91.05480	10.1
93.07049	27.4
95.04966	3.1
95.08614	8.4
97.02887	1.5
97.06531	6.6
99.04468	2.2
101.06005	6.8
103.05522	1.3
105.07030	11.5
107.04944	4.7
107.08591	37.4
108.63835	1.1
109.10181	1.7
111.04424	8.8
112.11234	3.1
114.05573	1.4
115.03938	2.2
115.05476	6.4
117.07024	1.4
119.08578	6.5
121.06525	2.5
121.10152	29.3
123.08060	3.7
125.05998	3.5
125.09607	10.9
127.03940	1.3
128.06227	3.6
129.05464	4.2
129.07014	5.2
129.92532	1.3
130.06514	4.8
131.04961	1.5
131.08542	11.5
132.05685	2.5
133.06497	1.9
133.10175	1.2
137.09653	2.4
139.11157	9.4
142.07791	1.4
143.04922	4.6
143.08519	1.2
145.06520	2.7
147.04366	1.8
147.08083	3.4
147.11632	1.8
149.09615	18.7
157.06454	3.7
157.07632	2.7
157.10188	1.7
157.12296	3.5
160.04065	1.7
160.05157	8.3
161.05974	2.1
161.09714	2.5
167.10680	19.6
171.04413	1.8
172.05161	1.6
174.06783	1.6
175.07530	14.8
175.11269	1.4
185.06000	1.9
185.11736	7.1
188.04622	2.4
195.10208	1.1
203.03572	1.9
203.05269	2.3
203.07051	18.6
203.10648	2.1
203.14378	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	203.139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.8
55.93522	1.7
56.05025	2.9
57.07073	13.0
62.76794	1.2
69.03423	1.1
69.40341	1.0
70.06574	5.3
71.04986	1.4
71.06093	1.8
71.32085	1.6
71.47120	1.3
72.08142	2.1
74.09309	2.2
74.09711	29.6
82.44476	0.9
83.04987	1.3
83.06089	2.5
84.04498	100.0
84.08138	1.8
85.02905	7.1
85.04840	1.5
88.08767	1.2
91.05457	4.4
93.65263	1.1
98.09882	1.2
101.07137	5.6
102.05524	4.9
103.80100	1.2
105.07021	2.8
112.11250	2.3
115.08731	1.2
116.07066	2.1
119.08549	1.7
120.04285	1.2
121.06588	1.2
122.45167	1.1
129.06975	2.6
129.13892	2.0
130.04990	98.6
131.05261	2.1
133.10002	1.4
146.96126	1.8
147.04428	8.0
147.07599	7.3
148.97627	1.8
157.06433	1.4
157.07635	2.4
157.13324	6.3
158.12894	1.3
160.05185	1.7
161.09503	1.6
174.98637	1.4
175.03897	5.0
175.07500	2.9
186.11227	11.6
203.03372	5.1
203.05249	7.3
203.06924	3.4
203.13835	17.3
203.17874	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1794
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
52.08332	1.2
55.05509	10.0
57.07070	2.8
65.03941	1.5
67.05500	18.3
69.07063	15.9
69.27512	2.3
69.27916	7.1
79.05489	8.4
81.07056	20.8
83.08601	3.9
91.05474	22.1
93.07042	16.1
95.08010	2.2
95.08606	44.1
95.09209	2.8
97.10184	1.7
105.07024	52.5
106.07337	1.7
107.08585	29.3
109.09415	1.8
109.10158	33.0
117.07012	4.0
119.08578	49.8
120.08948	2.5
121.10139	15.7
123.11700	4.5
128.06204	2.1
130.06496	1.2
131.08568	4.3
132.14549	1.3
133.06464	1.3
133.10121	66.2
134.10492	1.7
135.11655	2.8
145.10124	8.6
147.08034	2.0
147.11678	60.8
148.12038	2.5
157.10086	1.6
159.11597	6.0
160.12422	3.1
161.09608	2.9
161.13258	25.4
168.90007	1.1
173.13290	1.1
175.14796	9.0
175.85445	1.1
183.73422	1.2
185.13275	2.2
203.10646	2.1
203.14384	8.5
203.17947	100.0
204.18311	6.7
216.32147	1.2
223.21971	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1794
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
50.45817	1.2
51.52179	1.4
52.91037	1.1
55.05511	12.4
57.07058	4.3
61.95290	1.2
67.05503	12.6
69.07065	13.0
70.11728	5.0
79.05502	6.7
81.07054	13.3
83.08583	4.6
85.61337	1.1
91.05467	12.9
93.07025	12.4
95.08600	34.3
97.10125	1.8
105.06335	2.9
105.07027	48.3
107.08575	16.5
109.10152	22.0
109.53996	1.4
117.07004	3.6
119.08572	67.3
120.08922	2.3
120.96540	1.5
121.10140	14.2
123.11720	3.6
128.06215	1.5
130.06502	1.4
131.08577	6.7
133.10120	62.1
134.10446	2.7
135.11661	4.5
145.10120	14.6
146.10913	1.7
147.08067	2.0
147.11674	60.0
148.12027	1.6
157.10088	1.8
159.11699	7.1
160.12483	7.2
161.06021	1.5
161.09572	2.7
161.13252	31.9
162.13594	2.6
173.13261	3.7
175.14803	7.5
185.13266	2.0
188.15547	2.2
202.40547	1.4
203.10626	1.8
203.14368	7.9
203.17943	100.0
204.18234	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	203.1794
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
50.06535	0.9
53.03932	0.8
55.05504	7.8
57.07079	9.3
57.41426	0.8
67.05509	11.6
68.48508	0.8
69.07066	13.3
69.40141	6.1
79.05487	3.6
81.07053	11.1
83.08623	5.5
86.09917	0.8
88.09558	0.8
91.05484	12.7
93.07030	6.4
95.08605	33.5
96.08952	1.0
97.10184	1.0
105.07029	45.8
107.08597	16.4
109.10156	23.2
109.25086	0.9
117.06998	2.2
119.08580	66.7
120.08913	1.8
121.10143	14.4
123.11692	4.5
131.08578	3.9
133.10127	73.8
134.10464	1.7
135.11673	3.6
145.10132	11.9
147.11688	74.5
148.12015	2.0
159.11676	5.4
160.12474	7.6
161.13252	39.9
162.13641	1.2
173.13271	4.0
173.37360	0.9
174.14037	3.5
175.14833	6.2
188.15602	1.6
203.17960	100.0
204.18279	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	203.1793
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
55.05507	10.8
57.07064	3.0
67.05502	9.9
69.07060	16.4
69.29992	10.7
79.05471	6.6
81.07043	14.0
83.08599	5.9
88.30666	1.4
91.05467	17.6
93.07024	7.2
94.53789	1.9
95.08603	39.3
96.04715	1.5
97.10151	2.6
105.07021	44.0
105.77844	1.5
107.08602	17.7
109.10156	22.6
115.05391	2.1
117.06973	2.8
119.07722	2.9
119.08573	59.3
120.08947	1.8
121.10128	12.7
123.11656	2.4
131.08540	4.9
132.09244	1.9
133.05008	2.1
133.10121	66.0
134.10481	3.3
135.11633	4.7
145.10136	14.2
147.11673	51.1
148.11981	2.2
159.11638	6.8
160.12436	7.4
161.05873	2.3
161.13248	34.8
173.13234	3.4
174.14021	2.7
175.14789	6.8
203.17928	100.0
204.18291	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	203.1794
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03946	1.0
55.05509	10.9
57.06809	0.8
57.07074	9.7
65.03915	0.5
67.05157	0.9
67.05502	12.1
69.06706	0.8
69.07066	12.2
70.07450	0.4
71.33379	0.7
77.03926	0.4
79.05492	7.1
81.07054	14.8
83.08614	4.5
91.05476	14.1
93.07046	9.3
94.07363	0.7
95.08603	37.4
96.08933	0.9
97.10166	1.4
99.83732	0.4
103.05460	0.8
105.07025	50.6
106.07342	1.4
107.08590	19.9
108.08901	0.7
109.10155	26.1
110.10481	0.7
115.05442	1.0
117.07018	3.1
118.07825	0.6
119.08575	71.4
119.45862	0.4
120.08920	1.9
121.09264	0.8
121.10138	15.1
122.10398	0.5
123.11685	3.2
131.08549	5.6
132.09337	0.6
133.10124	73.3
134.10471	1.8
135.11716	4.3
145.08969	0.6
145.10120	12.9
146.10890	0.6
147.11681	67.1
148.11960	2.6
159.11685	5.4
160.12480	5.7
161.09567	0.8
161.13257	34.8
162.13640	1.1
173.13246	2.4
174.14049	3.2
175.14828	8.7
185.13214	0.6
188.15611	1.4
203.17952	100.0
204.18263	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	203.1795
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03950	1.5
55.05263	1.1
55.05516	17.0
55.69696	0.8
57.07060	1.9
62.30648	0.8
67.05509	16.5
69.07070	27.7
79.05482	6.1
80.15903	0.8
81.07055	13.1
83.08626	5.1
91.05479	14.5
93.07052	10.9
95.08611	74.7
96.08923	1.2
97.10194	7.6
98.23276	1.7
105.07036	47.2
106.07330	1.0
107.08595	19.8
108.08889	1.0
109.09424	1.7
109.10158	31.6
117.06984	2.0
119.08585	55.0
121.10150	17.4
123.11670	3.5
131.08549	3.4
133.10136	55.1
134.10497	1.7
135.08054	0.8
135.11668	5.6
145.10149	6.2
147.08032	2.3
147.11697	60.3
148.12106	2.0
159.11627	4.0
160.12502	4.8
161.09612	1.7
161.11940	1.0
161.13258	19.1
173.13271	1.7
174.14046	1.9
175.14832	6.0
203.14284	4.4
203.17961	100.0
204.13959	0.8
204.18303	4.4
211.39085	0.8
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	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03939	0.7
53.61270	0.5
55.05509	8.9
57.07080	2.7
58.36188	0.4
61.34539	0.4
67.05505	9.4
69.07069	17.6
69.26337	2.8
74.42936	0.4
77.03924	0.5
79.05492	5.3
81.07055	17.7
82.31420	0.6
83.08624	5.9
91.04942	1.1
91.05476	9.8
93.07046	8.5
95.08604	27.0
97.10177	1.4
98.23291	0.7
103.17342	0.5
105.07027	44.8
106.07341	0.6
107.08591	14.6
109.10154	17.2
117.07011	2.9
118.07774	0.7
119.08580	63.8
120.08900	1.5
121.10142	14.1
123.11680	3.7
131.08574	5.0
133.10126	56.2
134.10478	1.6
135.11687	6.4
136.12074	0.6
145.10121	21.3
146.10872	0.6
147.11682	61.4
148.12082	2.2
159.11690	5.5
160.12473	9.8
161.13255	34.4
162.13637	1.4
173.13242	2.0
174.14119	0.9
175.14842	5.2
188.15572	0.5
199.03116	0.5
203.07072	0.7
203.17947	100.0
204.18283	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	203.1795
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03941	0.9
55.05515	9.8
57.07070	2.8
59.75309	0.7
65.78172	0.7
67.05503	11.1
69.07068	19.1
69.09800	7.0
69.10179	1.3
70.23052	0.6
77.53611	0.7
79.05495	7.4
81.07056	29.4
83.08601	5.7
91.05476	13.9
93.07047	11.7
95.08603	32.6
97.10152	1.1
103.05463	1.0
105.07029	63.4
106.07343	1.5
107.08591	17.0
109.09429	1.2
109.10152	18.8
112.44137	0.8
115.05426	1.0
117.06993	3.4
119.08578	70.8
120.08930	2.1
121.10138	16.0
122.10432	0.8
123.11680	5.7
128.06161	1.2
131.08560	6.6
133.10126	56.4
134.10461	1.4
135.11696	5.4
139.07820	0.7
144.09285	0.8
145.10117	19.8
147.11681	75.2
148.12053	2.9
156.64812	0.8
159.11690	5.7
160.12450	8.2
161.13263	31.1
162.13663	1.3
173.13217	1.2
174.14015	1.0
174.38286	0.8
175.07507	0.8
175.14853	6.2
183.54794	0.7
188.08322	2.0
188.15637	1.1
194.08334	0.8
203.07071	0.9
203.10716	1.7
203.17949	100.0
204.18272	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	203.1795
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
50.82278	0.9
53.00315	0.8
53.03943	1.2
54.34292	0.8
55.05507	10.3
55.43482	0.7
55.55321	0.7
57.07062	3.2
65.03951	0.8
67.05165	1.2
67.05502	17.7
69.06721	1.3
69.07066	20.9
69.42609	0.8
70.63383	2.3
73.21367	0.7
79.05492	8.7
81.07055	39.6
82.07408	0.8
83.08614	5.1
85.02840	0.7
91.04946	1.3
91.05479	19.5
93.07040	18.3
95.04974	1.1
95.08606	44.6
97.10162	2.2
103.05474	1.5
105.07028	84.6
106.07327	1.6
107.08591	26.7
108.08902	1.0
109.10159	34.1
110.10459	1.4
115.05440	2.0
117.07025	4.8
118.07816	0.8
119.08576	80.1
120.08914	1.9
121.10146	19.7
122.10526	0.9
122.32386	0.7
123.08025	0.8
123.11716	9.4
126.05518	1.1
128.06221	3.8
129.07025	1.2
131.08542	5.6
132.09334	1.1
133.06508	1.2
133.10129	51.9
134.10468	1.3
135.11668	6.0
138.05467	1.4
142.07693	1.7
143.08580	7.3
144.09393	0.8
145.06491	2.5
145.10124	11.7
146.10698	1.0
147.11681	90.1
148.12090	2.5
157.10104	1.2
158.07262	1.0
159.11685	5.0
160.05182	1.0
160.08810	1.0
160.12482	5.7
161.05969	8.6
161.09576	2.4
161.13252	23.6
162.13559	1.2
170.11009	0.9
171.08020	3.4
172.03889	0.8
172.08847	1.0
173.05963	1.8
173.13139	0.9
174.14024	2.2
175.07510	2.8
175.11148	2.6
175.14799	9.0
185.13310	1.6
188.04697	1.2
188.08333	14.7
203.06999	11.0
203.10670	19.2
203.14290	3.8
203.17947	100.0
204.11002	1.0
204.18201	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	204.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.01880	1.4
55.05508	1.1
56.05035	2.3
57.07067	1.2
60.04527	2.6
61.02923	2.7
68.05029	1.2
69.03430	5.1
69.07059	0.7
70.06570	3.3
72.04509	1.2
79.05497	0.5
80.04998	3.1
81.03417	4.5
81.07046	1.3
82.02975	0.7
83.01325	1.7
84.04501	39.7
85.02874	1.0
88.55199	0.6
91.05484	1.8
93.07060	1.3
95.08604	2.0
96.04485	23.4
97.02890	6.7
98.06055	12.1
99.04457	2.6
101.02352	0.9
103.05476	1.2
105.07030	2.6
106.07352	1.2
107.08583	1.5
108.04469	1.4
108.35492	0.6
109.02879	5.2
110.05990	0.9
114.05531	1.4
115.05438	0.8
117.07018	1.4
119.08600	2.5
120.08934	1.3
121.10168	1.2
124.03966	1.3
126.05511	41.4
127.03892	2.2
128.06212	0.9
129.06616	2.1
131.08548	0.9
133.10092	1.1
134.10439	1.0
138.05495	100.0
139.05814	1.8
143.08534	2.1
144.06560	25.1
144.08882	6.7
145.06528	2.9
145.10089	3.8
146.06802	1.2
146.10478	1.3
148.12033	1.4
149.02353	2.6
159.08057	1.1
159.11671	1.1
161.05968	2.2
161.09160	1.8
162.06419	1.0
163.07640	1.0
168.06541	9.2
172.08415	3.9
173.05942	1.4
173.09338	2.0
174.06357	2.6
186.07599	4.5
187.07475	0.8
188.08286	1.0
189.05557	1.0
189.07002	1.3
189.08665	16.7
204.08754	2.2
204.10995	22.8
204.18256	2.4
205.08591	8.9
205.12216	2.4
205.15845	1.1
219.70708	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.3
55.01861	0.7
55.05497	1.1
56.05035	3.0
56.35504	0.5
60.04533	2.5
60.04815	0.4
61.02925	3.3
66.35348	0.6
68.05014	1.9
68.33983	0.5
69.03422	4.9
69.07062	1.0
69.12295	3.7
69.12700	1.1
70.06582	1.9
70.99690	0.5
71.04980	0.5
72.04511	1.3
79.05502	0.5
80.05008	2.2
81.03407	5.5
81.07059	0.6
83.01334	0.9
83.04982	1.1
84.04503	42.6
85.04828	0.6
86.09676	0.7
91.05495	2.9
93.07007	0.9
95.08591	0.8
96.04491	23.3
97.02900	6.6
98.02419	0.5
98.06051	14.1
99.04441	2.4
101.02345	0.8
105.07011	1.6
106.07359	0.6
107.08575	1.6
108.04504	1.2
109.02875	7.9
109.10152	0.6
110.19327	0.6
114.05512	1.7
117.07062	0.6
118.93456	0.5
119.08589	1.1
120.08916	0.9
124.03927	1.4
126.05509	42.8
127.03914	2.0
127.05925	0.9
138.05495	100.0
139.05832	1.5
144.06555	27.7
144.08961	0.8
145.06532	1.0
145.10031	1.2
147.11630	0.6
148.12021	1.0
149.02310	1.3
159.08023	2.0
159.11748	0.8
161.06091	0.7
161.13231	1.0
163.07411	1.0
163.14809	1.2
168.06544	8.7
173.09628	0.9
186.07605	2.7
187.07481	0.8
189.08643	1.4
204.08665	1.8
204.10989	2.4
204.18251	2.3
205.08514	0.9
205.12202	2.8
205.15836	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10913	0.3
57.03447	1.1
57.04576	0.4
58.06597	0.5
60.08160	12.7
60.08454	0.7
63.60352	0.3
70.24702	0.3
70.25368	0.8
71.04976	1.5
71.06114	1.4
72.19978	0.3
75.79411	0.3
84.08160	0.6
85.02900	100.0
86.03233	1.2
88.07623	0.4
98.22532	0.3
101.00864	0.6
119.01898	0.4
129.07765	0.4
134.08076	0.6
139.90445	0.3
144.10197	2.4
145.03842	0.4
145.04942	7.7
146.05276	0.3
149.02264	0.3
158.12871	2.2
169.51141	0.3
178.00272	0.3
179.53229	0.4
204.12148	16.4
205.05484	0.8
205.12495	0.3
223.96753	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17930	0.3
56.05039	0.4
56.96585	0.3
57.03440	3.2
57.03694	0.3
57.04579	0.8
58.06608	0.6
58.38832	0.3
59.07385	0.3
60.08163	10.6
60.08462	0.6
61.02933	1.0
62.91613	0.2
69.03433	1.0
70.06583	1.4
70.34779	0.2
70.99870	0.3
71.04987	2.2
71.06121	1.6
71.31612	0.2
73.02913	2.2
75.95695	0.3
80.02901	0.2
81.03436	0.4
82.97927	0.2
82.99845	0.6
83.36487	0.3
84.08142	0.5
85.02904	100.0
86.03242	1.2
88.08720	0.3
97.02896	1.7
99.04405	0.5
101.00882	4.3
102.00935	0.4
102.02393	0.5
102.05580	0.2
103.00591	0.3
103.03932	0.6
111.02914	0.6
113.00866	0.4
114.05502	1.6
115.02393	0.5
117.02922	0.4
117.05468	0.5
119.01912	4.6
120.01989	0.8
120.03368	0.3
121.01673	0.4
123.02841	0.3
127.02378	0.5
127.03865	0.3
129.07811	0.4
131.01859	1.0
133.03458	0.6
134.08089	1.1
135.02861	0.3
137.02956	0.4
138.03363	0.6
143.01891	1.8
144.01913	0.9
144.10191	2.9
145.03404	1.6
145.04887	7.5
155.01888	1.3
156.01953	0.4
157.03369	0.7
158.08136	1.5
158.11665	0.4
158.12888	2.5
161.02971	3.3
162.03136	1.2
163.02625	0.5
163.04402	0.9
173.02972	1.8
174.02966	0.4
174.04391	0.3
175.02721	0.3
175.04442	0.9
181.05493	0.7
185.02841	0.8
187.04358	0.4
197.02887	0.3
203.03822	0.6
204.03903	0.3
204.08716	1.6
204.12140	14.0
205.05563	5.6
205.12494	0.4
208.89027	0.3
215.31252	0.3
221.04976	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0556
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49736	0.5
53.03925	0.4
55.01873	1.0
56.96564	4.8
57.03444	2.5
57.07076	0.5
58.99855	0.7
60.04526	0.5
60.08165	1.6
61.02925	2.4
61.08502	0.9
63.49692	0.4
69.03419	2.5
70.06580	2.0
70.98120	0.7
70.99860	1.8
71.05003	0.9
71.05389	1.1
71.06107	1.0
72.05341	0.5
72.06483	0.7
72.08153	0.6
73.02910	4.3
74.85724	0.4
77.00903	1.0
77.02532	0.4
78.95285	0.5
80.04999	0.4
81.03412	1.1
82.99834	5.0
84.04524	1.1
84.08136	1.2
84.99596	0.6
85.02905	12.3
86.03236	6.5
86.06051	0.6
93.01902	0.4
94.68359	0.4
96.08117	0.8
97.01390	0.5
97.02898	3.1
97.08813	0.5
98.97582	2.4
99.04428	0.6
100.62833	0.6
101.00880	43.8
102.00985	2.1
103.00639	3.9
103.02431	0.8
105.00394	0.5
109.02879	0.9
110.01350	0.5
110.06030	0.7
112.02837	0.5
113.00859	0.8
115.00614	0.7
115.02440	4.9
116.98661	1.0
119.01918	66.6
120.02004	3.2
121.01647	7.8
122.06010	0.8
124.07604	1.0
127.02437	2.9
127.03925	0.9
131.01884	3.6
133.01649	2.0
133.03455	10.0
134.03566	0.9
136.02776	0.5
137.02936	8.0
139.02550	0.6
142.03391	0.9
143.01903	9.6
144.02089	0.7
144.98119	0.8
145.01660	4.8
145.03452	16.5
145.10391	0.5
146.03513	0.6
146.05246	0.7
147.03165	1.1
148.03781	0.7
149.02272	4.2
151.04541	0.9
152.06972	0.5
154.03539	1.4
155.01921	0.6
157.01605	1.1
157.03477	8.2
159.03310	0.4
159.13269	0.7
161.02954	24.5
162.03108	1.2
162.99138	1.6
163.02724	9.1
163.04515	13.2
170.08115	0.9
173.02916	0.8
175.02762	2.7
175.04514	11.4
175.11839	0.7
177.00827	0.6
179.03998	0.8
181.00247	0.5
181.03915	0.9
181.05577	13.4
185.02951	0.6
187.02757	1.1
187.04514	2.3
188.09132	0.7
191.02173	0.4
193.05397	0.4
203.03992	0.6
205.05559	100.0
205.12410	1.4
205.13872	1.6
205.15753	0.9
206.05818	4.4
206.10193	1.6
223.01393	0.6
223.04727	1.1
223.06662	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.086
Annotation	Anofinic acid
Peak:m/z	Relative Intensity
50.20795	0.6
51.03892	0.6
53.03949	0.6
55.01872	9.1
55.05510	0.7
56.96577	0.9
57.07075	3.6
65.03942	2.0
67.05500	1.6
68.34482	0.7
69.03424	0.9
71.00978	0.4
71.01352	11.3
71.13431	1.1
78.96703	0.5
79.05495	1.8
81.03433	0.7
81.07062	0.9
83.01337	0.8
85.02951	0.7
88.09063	0.5
91.05479	31.2
93.07061	1.8
95.04964	1.0
95.08610	0.7
97.02922	0.8
98.97626	0.6
101.95864	0.6
103.05466	3.0
105.07033	3.2
107.04934	1.9
115.05450	23.6
116.06247	8.8
117.07027	16.0
119.08587	1.7
121.02843	3.7
121.03645	0.7
121.06488	2.6
121.10131	1.8
122.09753	0.7
123.08042	0.7
128.06216	5.8
129.07008	12.2
131.04924	11.2
131.08562	42.1
132.08847	1.3
133.06516	1.3
135.11708	0.8
141.06985	42.4
142.07314	1.6
144.05696	29.0
145.06502	10.5
145.10130	1.9
145.92627	0.5
146.05977	1.6
147.04385	0.7
147.08023	0.7
149.02341	19.0
149.03563	0.9
149.06021	0.9
149.09615	2.1
155.06021	2.0
157.06500	5.6
158.07278	10.0
159.08051	58.1
159.11633	1.6
160.05112	0.6
160.08380	1.7
161.05963	2.7
163.07520	1.1
163.11168	1.0
165.01828	1.0
168.05736	0.9
169.06461	10.6
169.07646	5.1
172.05159	0.6
173.05959	2.1
175.07469	1.1
177.05365	1.2
177.09122	6.7
177.12691	1.3
179.73305	0.7
187.07533	100.0
188.08023	3.6
205.04997	8.3
205.08586	30.3
205.12146	1.8
205.15828	2.5
206.08929	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0861
Annotation	Eriosematin F
Peak:m/z	Relative Intensity
51.02379	1.3
53.03946	1.8
55.01868	2.8
55.05522	2.7
57.03428	4.1
65.03941	3.5
67.05500	4.5
69.03427	3.8
69.07062	5.1
71.04987	2.6
71.31822	2.2
79.05494	8.2
81.07060	12.7
91.05485	35.2
93.07040	14.1
95.04975	3.8
95.08619	7.5
103.05453	6.4
103.07699	1.5
105.04447	1.8
105.07036	19.7
107.04942	6.9
107.08602	16.5
109.06480	2.9
109.10143	2.2
113.26035	1.5
115.05459	45.8
116.06285	8.5
117.07027	100.0
118.07352	2.6
119.04910	2.6
119.08585	12.3
121.02847	3.5
121.06503	18.4
121.10140	6.6
123.11712	3.0
124.30656	1.5
127.05446	1.7
128.06226	2.2
129.07028	8.2
130.04166	2.0
130.07788	4.7
131.04944	8.3
131.07661	2.6
131.08568	32.1
133.06523	3.8
133.10120	4.5
135.04471	3.7
135.08063	20.9
135.11684	2.9
141.06973	12.5
143.08530	3.2
144.05710	17.4
144.09315	2.9
145.06491	97.5
145.10133	27.6
146.06790	2.4
147.04436	7.8
147.08070	2.6
147.11667	2.8
148.05191	6.8
149.02345	63.7
149.06006	3.7
149.09625	2.1
153.05472	2.9
155.06102	10.1
159.08064	99.4
159.11668	14.1
160.05211	2.4
160.08447	2.7
161.06012	15.1
161.13313	2.3
162.03139	2.0
162.06792	13.5
163.04005	1.9
163.07549	56.4
163.11197	4.2
164.04692	48.0
165.05075	2.0
169.07652	3.2
172.05241	2.1
173.05998	41.8
175.04068	2.0
175.07585	1.9
177.05508	5.9
177.09138	22.1
177.12671	2.7
177.16386	1.7
187.07547	53.8
187.11241	3.9
187.14764	5.2
190.06232	8.9
191.03320	3.0
204.00845	2.0
205.04846	4.4
205.08603	88.6
205.12187	20.6
205.15892	16.5
206.08931	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	205.0859
Annotation	Eriosematin F
Peak:m/z	Relative Intensity
52.73020	0.6
53.03925	0.7
55.01869	8.5
55.05492	2.6
57.07055	0.7
65.03916	1.5
68.99752	0.7
69.03421	0.7
69.68961	0.6
70.44841	1.1
70.45176	1.0
71.01002	0.7
71.01356	10.1
71.01740	0.5
79.05518	0.7
81.03396	1.0
81.06989	0.7
83.08597	1.2
91.05476	32.5
92.05824	0.7
93.07027	1.4
95.04958	0.8
98.22721	0.6
103.05452	2.6
105.07014	2.1
107.04917	1.1
107.16006	0.6
108.12544	0.6
113.36452	0.5
115.05452	23.6
116.06248	9.5
117.07030	14.0
119.08591	0.8
121.02840	1.0
121.06479	1.4
121.10152	0.7
127.39400	0.7
128.06207	4.7
129.06998	12.9
131.04922	9.1
131.08559	43.5
132.08888	2.2
133.06519	0.8
141.06981	49.6
141.97432	0.7
142.07344	1.8
143.04945	0.6
144.05692	27.7
145.06497	7.8
145.10098	1.0
147.08006	0.9
149.02336	5.2
149.06004	0.6
149.09584	1.2
155.05988	1.3
157.06488	7.4
158.07268	9.8
159.04390	1.3
159.08051	60.1
160.08392	2.5
161.05971	2.2
163.11139	0.7
168.05679	1.4
169.06462	11.0
169.07639	6.7
171.05731	1.0
173.05977	1.4
175.07660	0.7
177.05467	0.6
177.09059	4.8
177.12807	0.6
185.05925	0.7
187.07530	100.0
188.07918	3.6
195.15468	0.6
205.04999	6.6
205.08594	28.6
206.08986	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1224
Annotation	Butyl cinnamate
Peak:m/z	Relative Intensity
57.07060	0.9
57.86328	0.6
62.31712	0.6
67.05485	0.7
69.07053	1.5
69.20492	3.8
69.20913	1.5
79.05506	1.4
81.07056	1.3
89.87054	0.7
91.05487	3.6
93.07037	1.6
95.08578	1.4
96.53579	0.6
97.02769	0.6
98.22579	1.4
103.05479	8.1
105.07028	11.6
107.04945	0.7
107.08576	2.4
109.10121	1.0
115.05446	2.1
116.06219	2.1
117.07016	13.5
119.08552	1.5
121.10130	2.3
128.06221	1.5
129.06972	2.6
130.07796	11.9
131.03961	1.1
131.04929	22.3
131.08568	2.1
133.06479	1.3
133.10115	1.4
135.11647	0.9
137.06000	1.8
143.08578	3.8
144.05688	9.7
145.06482	31.3
145.10115	63.1
146.06888	0.8
146.10423	2.7
147.04396	1.0
147.08063	1.2
148.05177	5.3
149.02309	2.4
149.13266	1.4
153.06953	1.2
155.06004	2.6
155.08525	3.7
157.06519	0.9
158.07259	15.2
159.08017	2.0
159.11629	1.4
161.05995	6.4
162.06720	2.5
163.07535	11.5
173.09615	81.1
174.09956	3.2
175.07538	2.6
176.08310	8.2
177.09100	1.4
178.46162	0.6
183.09201	1.1
187.14845	1.9
190.09871	3.1
205.12233	100.0
205.15840	3.3
206.12601	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	205.1223
Annotation	4'-Hydroxy-3'-prenylacetophenone
Peak:m/z	Relative Intensity
53.03927	1.1
55.01867	1.2
55.05496	1.5
56.96566	0.8
57.03430	0.7
57.07072	4.3
59.04991	2.3
65.03941	3.0
67.05502	1.6
68.99775	1.3
69.03428	14.1
69.07066	0.9
69.69016	2.9
71.04988	0.8
79.05495	4.5
81.03428	1.2
81.07043	1.3
83.04955	0.6
83.85776	0.5
85.02887	1.1
87.90674	0.5
88.81547	0.5
91.05476	22.7
92.05801	0.7
93.03388	0.8
93.07033	4.1
95.04958	1.9
95.08584	1.0
97.02888	1.4
97.06503	1.8
98.22649	0.9
103.05495	3.1
105.07017	9.7
107.04948	1.4
107.08583	6.2
109.02892	0.8
109.06529	1.7
111.04427	0.7
115.05455	4.6
116.06220	0.7
117.03342	0.6
117.07018	9.2
118.06528	1.3
119.06078	0.6
119.08569	6.8
120.08109	3.4
121.02853	5.6
121.03846	0.9
121.06500	5.8
121.10112	3.2
123.04372	1.2
123.08038	2.3
128.06224	1.6
129.06993	5.9
130.07796	2.4
131.04904	1.8
131.08559	6.6
133.06483	1.9
133.10097	3.9
135.04443	1.2
135.08051	12.7
135.11710	4.3
136.08356	0.5
137.05948	0.9
141.06979	1.6
143.08563	2.7
144.05675	1.7
144.09334	4.2
145.06473	12.9
145.10115	12.7
146.06012	1.0
146.07185	1.1
147.04356	1.1
147.08034	6.0
148.08728	1.0
149.02333	37.3
149.05928	2.7
149.09596	1.6
149.13223	0.7
150.02673	1.0
155.06035	0.9
157.06517	1.0
157.10078	0.7
158.07300	2.0
159.04425	1.2
159.08051	7.2
159.11685	17.0
160.08557	0.6
161.05991	7.0
161.08366	0.8
161.09616	11.0
162.06741	1.1
162.10390	1.1
163.02762	0.6
163.03940	1.7
163.07552	7.2
163.11171	21.1
167.03415	0.6
169.10152	0.8
172.08810	5.6
173.05978	2.3
175.07558	1.5
175.11128	2.8
176.08296	0.9
177.05470	2.2
177.09103	2.8
177.12726	8.2
187.03883	0.7
187.07533	2.7
187.11153	6.6
188.07056	1.2
190.06190	1.0
198.87962	0.5
205.04851	5.1
205.08603	5.6
205.12228	100.0
205.15903	4.1
206.12711	3.0
206.15359	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1223
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
51.02367	0.7
53.03942	3.7
55.01864	0.7
55.05509	0.4
55.62156	0.3
57.07070	1.2
65.03933	1.0
67.05502	0.9
68.99786	0.4
69.03419	1.6
69.07063	0.7
71.05016	0.3
71.30666	0.5
75.53965	0.3
77.03924	0.8
79.01855	1.7
79.05487	1.9
81.03416	0.9
81.07047	1.0
83.04968	0.9
85.02892	0.5
85.06552	0.7
91.05475	19.0
92.05787	0.5
93.07041	61.0
94.07371	1.1
95.04971	4.4
95.08585	0.6
97.06538	0.6
102.04733	0.4
103.05473	4.1
105.04522	2.0
105.07030	3.3
105.19005	0.3
107.04953	0.4
107.08599	2.1
109.02879	0.3
109.06511	0.9
113.41002	0.3
115.05441	2.5
115.30876	0.3
116.06309	0.4
117.07014	5.2
119.08573	2.6
120.08102	0.5
121.02854	1.4
121.06501	100.0
121.10126	1.0
122.06832	2.3
123.08047	0.3
127.03811	0.4
127.07548	0.5
128.06189	0.6
129.06990	1.4
130.07770	0.9
131.04916	1.1
131.08546	3.7
133.06491	0.4
133.10118	1.2
134.09660	0.5
135.04385	0.6
135.08081	1.7
135.10744	0.3
135.11702	0.8
141.07039	0.5
143.08568	0.5
144.05658	1.0
144.09337	1.2
145.06497	4.3
145.10106	3.4
147.04420	0.6
147.08026	1.2
149.02336	6.7
149.05957	1.1
149.09602	0.8
149.13191	0.5
154.07782	0.3
155.06024	0.5
158.07274	0.6
159.08070	1.7
159.11687	6.2
160.12009	0.4
161.05946	0.9
161.09581	0.9
161.13254	0.4
162.12674	0.4
163.03905	0.4
163.07515	0.9
163.11180	1.5
165.01825	0.5
169.10045	0.5
172.05125	0.4
172.08844	0.9
173.05920	1.7
175.07469	0.4
177.05447	1.0
177.09079	1.0
177.12743	2.0
181.04938	0.8
187.07516	1.1
187.11201	1.7
190.06253	0.8
190.09914	0.3
190.12231	1.0
205.04932	6.1
205.08575	3.3
205.12219	15.2
205.15869	1.0
206.05640	1.3
206.11903	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1224
Annotation	4'-Hydroxy-3'-prenylacetophenone
Peak:m/z	Relative Intensity
53.03942	0.8
55.01862	0.9
55.05501	0.9
57.03420	0.6
57.07050	0.8
62.30751	0.5
65.03925	1.7
67.05486	2.1
69.03421	1.3
69.07053	1.5
71.04971	0.5
77.03922	0.6
79.05499	3.3
81.07040	2.3
91.05482	8.6
93.07026	3.4
95.08591	2.2
97.02874	1.8
97.06522	0.8
103.04843	0.9
103.05465	10.5
105.07034	17.4
107.04943	1.3
107.08589	4.4
109.06556	0.7
109.10145	1.4
115.05453	4.8
115.10218	0.5
116.06229	2.1
117.07021	19.4
118.07378	0.6
119.04908	0.6
119.08600	3.1
121.02849	2.0
121.06499	1.8
121.10149	2.5
123.11656	0.7
128.06233	1.9
129.07010	3.3
130.04132	1.2
130.07788	13.2
131.04926	24.1
131.08575	4.3
132.05644	0.6
133.06506	2.3
133.10143	1.6
135.08099	3.2
135.11694	1.5
137.05981	2.9
141.07001	1.1
143.08545	3.6
144.05701	12.7
145.06488	39.1
145.10126	67.6
146.06868	1.2
146.10464	2.3
147.04420	2.0
147.08034	1.3
147.11687	1.5
148.05174	6.2
149.02351	13.4
149.09650	1.5
149.13225	1.1
153.06964	1.1
155.06035	3.3
155.08575	5.0
158.07266	14.4
159.08055	10.4
159.11693	2.3
161.05983	7.6
161.13257	0.8
162.06786	4.3
163.07536	18.2
163.14783	0.7
173.09621	86.4
174.09949	3.1
175.07628	2.9
176.08318	9.0
177.09109	3.9
177.12769	0.7
183.09192	1.2
184.69478	0.5
187.07559	4.0
187.11192	1.0
187.14807	2.4
190.06213	1.4
190.10025	2.7
205.04951	1.4
205.08881	7.4
205.12244	100.0
205.15897	4.2
206.12570	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	205.1223
Annotation	4'-Hydroxy-3'-prenylacetophenone
Peak:m/z	Relative Intensity
53.23938	0.7
57.03420	0.8
57.07064	3.3
65.03936	1.7
65.42545	0.7
67.05496	2.7
69.07045	2.6
69.57406	3.9
71.05009	0.9
79.05477	2.7
81.07042	5.0
81.51120	0.7
83.04963	0.8
91.05479	11.0
93.07025	4.6
95.04967	1.0
95.08595	2.6
97.06520	0.7
99.61256	0.8
103.05477	6.6
105.06361	1.3
105.07032	19.8
107.04914	1.1
107.08599	6.6
109.06524	1.3
109.10158	2.1
114.98541	0.8
115.05433	4.8
116.06242	2.6
117.07018	17.3
119.04948	2.0
119.08572	5.4
121.02887	3.7
121.03697	0.7
121.06509	2.7
121.10147	4.6
123.08068	1.2
128.06194	1.3
129.06976	3.1
130.04124	1.2
130.07788	12.9
131.04924	20.6
131.08574	7.5
132.05701	1.3
133.06480	1.5
133.10124	2.9
135.08037	5.0
135.11668	2.5
137.05972	3.0
141.06995	1.5
143.08575	4.4
144.05688	10.9
145.06487	34.2
145.10121	64.1
146.10454	2.5
147.04396	2.2
147.07979	1.2
147.11684	3.0
148.05185	5.1
149.02336	21.0
149.05934	1.7
149.09567	0.9
149.13255	1.8
155.06042	2.4
155.08493	4.8
157.10172	0.8
158.07254	14.1
159.08067	16.8
159.11621	4.0
160.08302	0.9
161.05954	8.0
161.09647	1.1
161.13286	1.3
162.06805	3.9
163.03923	0.9
163.07545	17.0
163.11176	1.8
167.14983	1.0
173.09622	79.8
174.10057	3.9
175.07541	1.7
175.14804	2.1
176.08334	9.0
177.09094	4.0
177.12733	1.3
177.16437	1.0
187.07524	5.9
187.11150	1.4
187.14853	4.7
190.06265	1.1
190.09859	2.6
205.08565	12.7
205.12239	100.0
205.15720	10.6
206.12589	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	205.1223
Annotation	4'-Hydroxy-3'-prenylacetophenone
Peak:m/z	Relative Intensity
50.67746	0.4
53.03918	0.9
55.01868	0.7
55.05494	1.4
57.03430	0.7
57.07069	2.7
62.94795	0.5
65.03924	2.4
67.05505	2.5
69.03429	0.5
69.07040	1.9
69.13213	3.1
69.13616	0.9
71.04987	0.5
76.09726	0.5
79.05479	3.5
81.07052	2.6
81.07452	0.5
81.24969	0.5
83.08595	0.7
91.05473	8.6
93.03396	1.2
93.07029	4.2
95.04955	0.9
95.08617	2.3
97.39309	0.5
102.86739	0.5
103.05462	7.3
105.07022	14.0
107.04955	2.5
107.08593	4.9
109.06490	1.5
109.10137	1.9
115.05444	4.0
116.06279	2.1
117.07015	15.7
117.80709	0.4
119.08566	3.9
121.02845	5.3
121.03865	1.0
121.06497	3.1
121.10133	3.3
123.08061	0.7
123.11745	0.6
127.05478	0.5
128.06181	1.2
129.07004	2.4
130.04155	0.9
130.07773	10.1
131.04918	22.2
131.08560	5.3
133.06442	1.9
133.10123	1.9
135.08049	3.9
135.11671	1.4
137.05957	1.9
141.06950	1.5
143.04880	0.9
143.08549	3.4
144.05690	9.7
145.06480	34.6
145.10114	56.2
146.06825	1.9
146.10428	2.3
147.04366	1.8
147.07991	1.6
147.11693	2.1
148.05191	5.5
149.02335	30.9
149.05904	1.0
149.09596	1.1
149.13246	1.0
150.02661	0.8
155.05998	2.5
155.08537	3.5
157.06468	0.6
158.07260	11.8
159.04407	3.2
159.08049	12.7
159.11696	2.6
161.05975	5.6
161.13248	1.6
162.06734	3.7
163.07535	18.8
163.11176	0.9
163.14842	1.7
164.07887	0.7
173.09607	78.8
174.10001	4.5
175.07529	1.8
175.14690	0.6
176.08310	7.5
177.05481	1.6
177.09125	3.0
177.12700	1.1
177.16447	0.7
183.09109	1.0
187.03951	0.6
187.07510	5.6
187.11124	1.3
187.14857	2.6
190.06236	0.8
190.09975	3.0
200.63782	0.5
205.04918	3.7
205.08662	12.2
205.12224	100.0
205.15874	6.1
206.12561	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	205.1586
Annotation	Khusimone
Peak:m/z	Relative Intensity
53.03943	1.6
55.05506	10.1
57.07073	7.7
63.43462	1.2
65.03926	2.7
67.05500	17.3
69.06712	1.5
69.07069	22.0
69.36774	4.7
69.37198	3.3
71.04980	1.9
71.08639	1.2
79.05490	12.0
81.07053	97.0
82.07381	1.4
83.04517	2.1
83.04980	30.8
83.08625	6.0
91.05473	23.5
93.07039	23.7
95.04959	2.7
95.08606	46.2
97.10175	2.2
105.07024	79.4
106.07353	3.2
107.08585	30.3
109.06512	2.3
109.10140	8.6
111.08047	4.7
115.05432	1.8
116.06203	1.6
117.07017	15.8
119.08577	63.0
120.08908	2.1
121.02876	2.2
121.06495	2.1
121.10142	28.8
123.08070	2.0
123.11703	70.7
124.12093	3.1
127.68807	1.2
129.06978	4.3
130.07780	7.1
131.08559	47.9
132.08978	1.6
133.10121	42.7
134.10460	1.6
135.08020	5.0
135.11685	8.1
137.09573	2.4
142.07761	1.5
143.08560	8.5
144.09340	3.1
145.10123	92.2
146.10489	2.9
147.11685	23.7
149.02332	18.9
149.09578	3.4
149.13243	3.5
150.93097	1.2
157.10062	3.2
158.10898	6.8
159.11687	20.9
161.13222	6.3
163.11133	4.4
163.14850	2.6
172.12442	2.1
173.09604	2.1
173.13255	34.5
174.13812	1.5
175.14810	79.1
176.15202	4.2
177.16380	19.0
181.72246	1.3
187.14806	51.9
187.74649	1.4
188.15163	2.4
205.12466	3.2
205.15869	100.0
206.16232	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	205.1586
Annotation	Khusimone
Peak:m/z	Relative Intensity
53.03936	2.3
55.05508	13.3
57.07076	8.0
65.03932	3.7
67.05497	18.2
69.06761	1.7
69.07067	16.6
69.56261	7.1
69.56668	3.4
71.04978	1.7
77.03928	2.1
78.85239	1.6
79.05491	17.0
81.07052	79.5
82.07364	2.1
83.04543	1.7
83.04984	27.6
83.08620	7.2
91.05471	28.3
93.07050	23.7
95.04950	4.1
95.08603	48.3
97.06566	1.6
98.23291	2.8
103.05438	4.2
105.07027	75.3
106.07375	2.1
107.07926	2.5
107.08588	30.8
109.06506	2.8
109.10151	7.9
111.08036	2.2
115.05441	5.5
116.06276	2.3
117.07004	21.7
119.08577	59.1
121.02863	2.1
121.06498	3.7
121.10134	27.6
123.08064	1.7
123.11703	64.3
124.11978	2.1
129.07033	7.3
130.07747	6.8
131.04922	4.4
131.08563	55.9
132.08873	2.8
133.10127	46.5
134.10464	2.1
135.08054	9.4
135.11684	9.7
141.06978	3.7
143.08565	10.9
144.05681	4.8
144.09300	4.5
145.06493	15.3
145.10120	100.0
146.10539	1.7
147.11674	22.7
148.05171	2.4
149.02338	19.5
149.09575	3.1
149.13261	4.6
155.05943	1.8
155.08519	1.5
157.10101	3.7
158.07253	2.7
158.10954	7.1
159.08043	23.1
159.11679	20.1
160.12195	1.7
161.05916	4.1
161.13277	8.3
162.06750	4.8
163.07555	12.8
163.11169	1.9
163.14716	1.7
172.12459	3.5
173.09657	14.4
173.13257	33.1
174.10005	1.9
175.14815	70.3
176.08266	1.8
176.15126	3.1
177.09103	8.0
177.16370	17.0
181.73679	1.6
187.07574	8.0
187.14821	52.0
188.15123	2.5
190.06161	2.6
205.06586	2.7
205.08578	23.8
205.12286	24.0
205.15865	86.6
206.16264	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1587
Annotation	Khusimone
Peak:m/z	Relative Intensity
53.03940	2.2
53.73046	2.3
55.05508	13.1
57.03424	2.2
57.07063	7.6
65.03930	5.2
67.05514	13.0
69.07070	19.3
79.05499	19.9
81.07052	20.1
83.08610	13.3
88.02158	2.2
91.05477	23.1
92.31299	1.8
93.07046	48.1
95.04956	3.8
95.08600	44.4
97.06484	3.1
97.10165	2.8
100.01921	2.1
103.05485	2.9
104.30979	2.0
104.54826	2.1
105.07027	54.4
107.08598	68.0
109.06509	6.5
109.10151	17.5
110.80009	2.0
111.08160	2.7
115.05441	2.2
117.07034	15.0
119.08572	31.6
121.02872	7.4
121.06506	8.0
121.10149	46.0
123.08061	5.6
123.11705	5.0
125.09547	2.9
129.07043	2.2
130.07726	6.2
131.07655	3.8
131.08569	39.2
133.10103	13.0
135.08052	45.4
135.11693	13.7
143.08521	4.3
144.09311	2.8
145.10114	43.9
147.11676	7.7
149.02339	23.4
149.09599	5.7
149.13275	16.3
150.73236	1.8
151.81378	2.1
155.50726	2.2
157.10149	3.5
158.10939	2.9
159.08081	2.5
159.11670	15.9
161.13214	6.5
163.07593	5.2
163.11168	3.7
163.14890	4.1
177.12804	3.0
177.16374	27.8
187.14827	32.9
190.57260	2.4
191.06903	2.3
205.08466	11.4
205.12234	7.0
205.15872	100.0
205.19553	6.0
206.16249	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	205.1587
Annotation	Khusimone
Peak:m/z	Relative Intensity
53.03937	2.1
55.05508	17.8
57.03431	2.1
57.07071	6.1
59.04981	3.2
65.03938	1.8
66.18334	1.6
67.05510	9.9
69.07069	39.4
70.54613	2.7
70.54934	1.9
71.08612	2.2
77.03866	1.6
79.05497	18.6
81.07061	21.2
83.04979	3.6
83.08616	14.4
85.20212	1.8
91.05476	25.8
93.07046	39.6
95.08018	3.1
95.08605	46.3
97.06527	2.3
98.75723	1.4
103.05425	2.6
105.07021	44.3
107.08595	90.8
108.08919	2.5
109.06502	7.7
109.10155	15.0
111.08084	3.4
115.05422	2.9
117.07019	23.0
119.08576	77.9
120.08958	2.2
121.06511	3.9
121.10143	82.7
122.10470	3.0
123.08082	10.3
123.11752	3.8
128.06194	2.2
129.07005	3.9
130.07805	9.8
131.08566	28.6
133.10127	69.5
134.10522	2.5
135.08040	8.0
135.11682	16.2
137.09633	3.2
137.13255	1.6
143.08533	13.8
144.09329	5.1
145.06493	2.6
145.10123	99.9
146.10439	3.6
147.08028	1.6
147.11687	17.3
149.02299	4.4
149.09599	6.1
149.13263	9.9
157.10129	9.7
158.10980	9.0
159.11684	32.6
160.12424	2.5
161.13258	8.8
163.11182	23.1
163.14751	7.4
172.12465	8.3
173.09616	3.8
173.13266	2.7
174.14041	7.9
175.14813	100.0
175.31737	1.7
176.15150	3.5
177.16386	42.1
178.16713	3.8
187.14807	67.9
188.15172	2.7
194.31897	1.8
205.08615	3.6
205.12231	6.1
205.15883	99.8
205.19551	3.4
206.16223	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	205.1588
Annotation	Khusimone
Peak:m/z	Relative Intensity
52.91995	1.8
53.03915	2.4
55.05516	14.8
57.03413	4.4
57.07072	8.6
59.05002	2.6
65.03931	4.5
67.05501	11.8
69.07068	36.8
69.30147	12.4
69.30549	4.4
71.08627	3.0
79.05501	17.4
81.07067	20.9
83.08626	12.7
83.09025	2.1
90.59538	1.8
91.05478	28.2
93.07042	34.2
95.04957	3.2
95.08604	43.3
97.10143	2.3
99.08110	3.2
105.07027	41.0
107.08594	71.3
108.08917	2.5
108.85940	2.6
109.06523	4.1
109.10148	14.9
111.08099	3.5
115.05455	3.2
117.07018	22.9
119.08576	76.0
120.08933	3.9
121.02816	2.4
121.06495	7.9
121.10136	73.0
123.08065	8.4
123.11718	3.3
129.06984	7.9
130.07777	7.7
131.08565	29.7
133.10121	60.7
135.08026	9.8
135.11685	16.4
135.89467	2.2
143.08545	11.9
144.09323	5.1
145.06474	3.2
145.10124	99.3
146.10527	2.3
147.11674	18.6
149.02313	13.0
149.09631	6.1
149.13251	7.0
154.74225	2.2
157.10094	10.0
158.10921	10.2
159.08034	8.3
159.11694	28.7
161.13249	14.5
163.07556	5.2
163.11209	21.6
163.14842	7.5
172.12462	7.4
173.13234	2.8
174.14026	5.9
175.14819	100.0
176.15152	3.8
177.16374	41.9
187.07596	6.3
187.14809	65.3
188.15146	3.8
205.08592	5.3
205.12445	5.0
205.15875	90.7
205.19102	3.4
205.45613	2.1
206.16225	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	205.1588
Annotation	Khusimone
Peak:m/z	Relative Intensity
53.03956	1.7
55.05511	12.5
57.03439	1.7
57.07092	5.9
63.71638	1.0
65.03918	2.9
67.05157	1.9
67.05502	21.7
69.03444	1.4
69.07069	22.4
69.77370	3.6
71.04970	2.7
75.93843	1.1
79.05494	18.3
81.03407	1.5
81.07056	81.9
82.07379	2.8
83.04984	25.8
83.08627	5.6
91.05473	27.1
93.07042	31.6
95.04961	4.3
95.08607	45.8
96.08919	1.5
97.06537	2.3
97.10168	2.7
98.23221	1.4
103.05440	2.7
105.07030	81.7
106.07376	2.0
107.04954	3.4
107.08595	41.1
109.06518	5.6
109.10167	13.4
111.08104	3.1
115.05472	5.9
116.03942	1.5
116.06207	2.2
117.07022	22.9
119.08579	57.2
120.08878	1.6
121.02858	1.7
121.06517	5.2
121.10141	28.3
123.08043	2.4
123.11707	57.3
124.12027	2.5
128.06230	1.8
129.07018	7.1
130.07758	7.2
131.04910	4.3
131.08569	49.4
132.09331	1.3
133.10124	42.4
135.08069	8.9
135.11714	12.1
137.09621	1.9
142.00899	1.1
143.08557	11.3
144.05641	1.5
144.09341	4.9
145.06485	14.6
145.10124	100.0
146.06725	1.1
146.10504	3.3
147.04382	1.7
147.08037	1.3
147.11679	23.4
149.02333	17.5
149.09630	3.3
149.13249	8.9
155.06027	2.1
157.10138	3.6
158.07320	1.9
158.10872	5.9
159.08060	7.0
159.11685	24.5
160.12448	1.8
161.06004	2.3
161.13269	5.9
162.06755	2.2
163.07524	4.5
163.11191	5.6
163.14790	4.4
172.12476	2.7
173.05975	4.2
173.09657	7.0
173.13264	26.5
174.13947	2.0
175.14828	62.9
176.15120	2.7
177.05421	2.1
177.09050	2.7
177.12727	3.8
177.16374	16.3
187.07565	4.6
187.11183	10.3
187.14822	43.2
188.15067	2.2
190.06311	1.8
190.09865	1.6
205.04999	3.1
205.08583	9.0
205.12263	25.1
205.15880	89.1
205.19504	4.5
206.12592	1.6
206.16238	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	205.1587
Annotation	(+)-Chamecynenol
Peak:m/z	Relative Intensity
51.91728	1.8
53.03936	4.2
55.01868	2.0
55.05520	16.0
56.44609	1.8
56.76149	1.7
57.03458	2.4
57.07079	8.5
59.05000	2.9
59.76805	1.6
65.03938	2.8
67.05508	10.9
69.03412	3.2
69.07066	23.8
73.85368	1.5
79.05499	19.6
81.07063	27.8
83.01339	1.8
83.04977	4.7
83.08643	12.9
85.06572	2.0
91.05489	28.0
93.07050	37.7
95.04962	2.3
95.08612	37.2
97.06549	2.7
97.10178	2.5
103.05460	5.6
105.07041	44.7
107.04953	3.4
107.08600	70.5
109.06516	7.3
109.10142	12.4
116.05325	1.7
116.06169	2.0
117.07023	18.6
119.08591	56.8
121.02879	7.3
121.06509	7.2
121.10155	74.6
123.08090	3.0
123.11736	3.7
129.07013	4.9
130.07780	8.0
131.04907	2.3
131.08556	34.9
131.09460	2.9
133.06522	2.5
133.10135	56.9
134.10533	2.0
135.08064	15.8
135.11700	19.8
142.81996	2.0
143.07243	1.5
143.08560	10.1
144.05734	3.6
144.09297	2.5
145.06496	9.1
145.10129	78.3
146.10474	2.6
147.08075	3.8
147.11719	22.7
149.02335	28.5
149.09636	8.7
149.13274	12.9
157.10085	2.8
158.07327	2.6
158.10913	6.5
159.06912	1.7
159.08031	8.8
159.11707	23.0
161.13260	14.7
162.06831	4.2
163.07503	8.7
163.11194	40.1
163.14810	8.4
164.07919	2.2
172.12483	5.4
173.09639	9.2
173.13185	2.0
175.14841	55.4
175.16370	3.6
176.15189	2.3
177.09103	6.4
177.12729	3.2
177.16383	31.9
187.07556	3.5
187.14825	61.3
188.15175	2.9
205.04843	2.1
205.08562	24.5
205.12234	20.0
205.15895	100.0
205.19438	8.4
206.16280	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	205.1951
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
51.69977	0.8
53.03937	1.8
55.05511	28.0
57.07075	13.9
65.03931	2.3
67.05502	16.9
69.03421	1.0
69.07069	47.2
71.04982	3.2
71.08613	1.1
77.03944	0.9
79.05499	16.2
81.07057	29.8
83.01315	1.1
83.04987	0.9
83.08618	28.0
85.06539	3.3
91.04955	1.1
91.05475	16.2
93.07045	50.9
94.07320	1.2
95.04986	2.8
95.08603	51.9
96.08968	1.0
96.99796	0.8
97.10167	15.9
98.22627	2.9
103.05449	2.1
105.07027	21.9
106.07351	0.9
107.04958	1.7
107.08590	85.4
108.08936	1.6
109.06483	1.6
109.10152	51.6
110.10496	0.9
111.08077	1.0
111.11713	5.4
115.05439	1.3
117.07025	6.0
119.06059	1.2
119.08575	16.7
121.02911	1.9
121.06500	2.3
121.10140	100.0
122.10440	2.2
123.08052	3.0
123.11703	34.8
125.09508	1.0
129.06967	2.2
130.07773	1.5
131.04926	1.4
131.08562	9.6
133.10141	8.6
135.08038	2.0
135.11694	66.0
136.12038	1.4
137.09560	1.0
137.13249	3.1
143.08562	2.1
144.05670	1.9
145.06476	4.2
145.10114	20.1
146.10466	1.5
147.10617	1.4
147.11679	14.2
149.02345	13.2
149.05980	1.5
149.09605	3.0
149.13248	61.6
150.13611	2.1
157.10170	0.9
158.07343	1.4
158.10880	0.9
159.08063	4.8
159.11696	7.3
161.13260	12.2
162.06635	1.0
162.13956	2.4
163.07506	2.7
163.11177	2.4
163.14806	28.4
173.09610	5.7
175.14806	3.9
176.08220	0.9
177.09131	1.5
177.12791	1.5
177.16393	2.8
187.11201	1.9
187.14835	14.9
188.15364	1.1
190.09782	1.0
205.08556	8.6
205.12227	10.5
205.15909	25.0
205.19507	74.1
206.16212	1.3
206.19844	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0449
Annotation	6-Hydroxykynurenate
Peak:m/z	Relative Intensity
53.03931	0.2
57.07063	0.3
59.92887	0.2
65.03928	0.2
65.11540	0.2
67.05501	0.4
68.99796	0.3
70.83271	0.5
79.05479	0.4
81.07064	0.3
91.05484	1.3
95.04991	0.4
103.05446	0.3
104.04996	0.6
105.03384	0.3
105.07050	1.5
107.08570	0.2
115.05489	0.3
116.98668	0.3
117.07000	0.3
118.07367	0.4
119.04962	0.4
119.08585	0.9
121.02911	0.3
129.06979	0.4
132.04454	28.5
133.04771	0.5
133.06450	0.3
142.07271	0.2
143.08577	0.3
146.06879	0.3
147.04485	0.4
147.08081	1.3
149.02348	0.9
150.02661	1.9
153.86900	0.2
160.04010	0.8
161.05919	0.4
163.07509	0.4
168.96725	0.2
177.07912	0.2
178.04991	100.0
179.05380	2.9
188.07887	0.4
189.05385	0.3
189.09129	0.3
191.14310	0.5
206.04489	48.9
206.16330	0.4
207.04807	1.7
207.06526	0.6
207.10146	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0449
Annotation	6-Hydroxykynurenate
Peak:m/z	Relative Intensity
53.03954	0.3
53.54787	0.1
55.05489	0.2
56.96556	0.5
57.07066	0.2
65.03939	0.2
67.05502	0.3
68.99806	0.2
70.06564	0.2
71.30931	0.3
72.04515	2.4
79.05502	0.2
81.07050	0.3
85.02942	0.2
91.05486	0.6
95.04976	0.3
95.08595	0.2
98.09692	0.7
98.97572	0.4
104.05000	0.7
105.03413	0.3
105.07030	0.8
107.04921	0.3
110.06050	0.2
114.03745	0.2
116.98624	0.2
119.04957	0.2
119.08566	0.6
123.04394	0.2
124.07611	0.2
127.03900	0.2
131.04970	0.2
132.04449	27.0
133.04767	0.6
133.06509	0.2
137.06146	0.2
143.08542	0.2
144.10188	0.9
147.04407	0.5
147.08043	0.6
149.02335	0.5
150.02753	0.8
155.41946	0.2
160.03979	0.7
161.05907	0.3
165.10236	0.6
169.04955	0.3
175.36948	0.2
178.04988	100.0
179.05357	2.7
180.05331	0.2
188.09152	0.2
206.04480	49.8
206.11830	0.5
207.04796	1.5
207.06502	0.4
207.10123	0.3
207.14925	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0651
Annotation	ISOEUGENITOL
Peak:m/z	Relative Intensity
53.03939	0.2
55.01876	0.4
55.05497	0.2
65.03928	0.4
66.78276	0.2
67.01856	0.8
67.05489	0.5
68.99782	0.7
70.63489	0.3
70.63816	0.2
76.79458	0.2
77.03921	0.3
79.05495	0.4
81.03400	0.8
83.01341	1.1
85.02898	1.8
90.04696	0.2
91.04941	0.3
91.05476	4.8
92.05774	0.2
93.03374	0.4
93.07034	0.3
95.04989	0.8
95.08603	0.4
96.81717	0.2
97.02899	0.4
99.08530	0.2
103.05454	0.5
105.03380	0.3
105.07011	1.6
107.04900	0.2
107.08592	0.3
109.06471	0.4
118.04148	0.4
119.04942	5.0
119.08566	0.5
121.02824	0.3
121.06432	0.2
121.10143	0.2
123.04427	0.6
123.08057	0.5
123.11710	0.2
130.54845	0.1
132.02095	0.4
132.54515	0.2
133.02849	0.3
133.06467	0.8
133.10056	0.2
135.04372	0.2
136.05193	0.4
137.05975	0.3
137.09589	0.2
139.03903	0.4
139.07509	0.5
141.05479	0.6
146.03650	0.3
147.04408	4.0
147.07944	0.2
147.11653	0.3
149.02330	1.2
149.09599	0.6
151.07491	0.8
153.21822	0.2
157.03897	0.3
157.05055	0.2
161.05971	1.5
161.13226	0.4
162.05598	0.2
163.11258	0.2
164.04709	1.0
165.05429	0.4
165.12808	0.3
165.85109	0.2
167.03389	2.1
174.03123	0.3
175.03891	3.6
178.07767	0.6
178.64238	0.2
179.06984	0.9
179.08534	0.9
183.06422	0.2
189.05447	0.2
189.08975	0.2
189.12753	0.5
190.80696	0.2
192.04138	2.1
205.04965	0.4
207.06506	100.0
208.06851	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	207.0653
Annotation	ISOEUGENITOL
Peak:m/z	Relative Intensity
51.35464	1.1
53.03944	4.0
55.01865	5.4
55.05506	2.6
58.01907	1.2
58.27053	1.3
58.59995	1.4
65.03931	8.3
67.05499	6.6
68.99801	2.7
69.03422	7.9
69.07057	3.4
71.04983	3.6
71.32548	1.3
71.32936	1.7
77.03922	1.9
78.04680	1.3
79.05480	10.8
80.06269	1.8
81.03397	3.1
81.07048	5.0
83.08588	1.5
85.02903	1.9
89.03886	3.0
91.05479	76.2
93.03398	2.6
93.07049	9.0
95.04961	10.5
95.08589	4.9
97.06552	2.3
103.05474	8.4
105.03386	2.9
105.04533	1.9
105.07034	18.1
106.04141	2.2
107.04955	7.2
107.08595	7.6
108.05752	6.5
109.02886	7.1
109.06515	5.4
109.10159	3.9
115.05454	4.2
117.07009	4.1
118.04154	8.9
119.04940	62.3
119.08582	11.3
121.02883	6.1
121.06492	8.8
121.10142	4.3
123.04412	8.6
123.08067	10.2
123.11695	1.6
128.06212	4.0
129.06981	5.1
131.04944	4.3
131.08493	1.6
132.02057	3.0
133.06490	7.6
133.10118	9.6
134.03641	3.5
135.04428	4.0
135.08014	1.6
136.05211	16.0
137.05913	3.6
137.09601	3.8
143.08543	5.2
145.02837	2.0
145.06454	2.0
145.10132	3.6
146.03610	9.2
146.07314	1.4
147.04404	50.7
147.05577	2.5
147.08026	8.6
147.11699	10.6
148.05118	4.2
149.01198	2.7
149.02333	33.2
149.05949	4.3
149.09619	12.2
149.13200	1.5
150.02562	1.6
151.07539	23.6
156.09386	1.9
157.03957	3.1
157.06512	2.1
161.05980	24.8
161.09604	14.1
161.13235	5.7
163.03905	9.1
163.11191	6.3
164.04681	46.2
165.05014	1.4
165.12761	2.3
171.11609	3.4
174.01848	1.5
174.03114	8.8
175.03893	28.7
175.07518	2.2
177.05435	3.7
177.12836	1.8
179.05577	1.3
179.07027	36.0
179.08609	2.2
179.14171	1.6
189.05516	2.0
189.09109	8.5
189.12787	8.2
191.03468	1.8
192.04143	23.0
207.06514	100.0
207.10112	8.2
207.13795	22.7
208.06818	3.5
208.14011	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0653
Annotation	2-Hydroxy-8-methylchromene-2-carboxylate
Peak:m/z	Relative Intensity
51.02374	1.1
52.32846	0.6
53.03952	1.4
55.01875	1.6
55.05501	1.8
57.03434	0.6
63.02370	0.8
65.03938	8.7
67.05508	3.7
68.99773	0.6
69.03432	1.6
69.07069	1.7
70.17355	2.0
71.04991	1.6
73.29475	0.5
76.03143	1.1
77.03905	3.0
78.04718	0.8
79.05492	4.2
80.06268	0.7
80.89682	0.5
81.03389	0.7
81.07068	3.9
83.04990	2.2
83.08614	0.8
85.02910	0.8
89.03912	5.2
90.04708	1.8
91.05479	100.0
92.05792	1.2
93.03400	0.7
93.07051	5.6
95.04969	3.3
95.08610	6.2
97.06540	1.3
103.05463	4.5
104.02601	1.6
104.06246	0.9
105.03388	1.9
105.04557	0.9
105.07034	10.6
106.04170	0.7
107.04952	4.0
107.08595	4.3
108.05743	2.0
108.99012	0.6
109.06518	4.8
109.10164	1.9
111.08106	1.0
115.05440	4.9
116.06226	1.0
116.48584	0.5
117.03415	1.5
117.07002	2.3
118.04152	7.4
119.04943	84.6
119.08585	8.6
120.05225	1.1
121.02875	2.4
121.06512	5.1
121.10163	5.1
122.03635	0.8
123.04425	1.6
123.08075	7.3
123.11707	1.0
125.06018	0.7
125.09590	0.6
128.06197	1.6
129.03369	3.1
129.04463	0.7
129.07014	4.0
131.04930	5.2
131.08586	2.2
132.02063	9.0
132.05725	1.8
133.02867	2.2
133.06487	8.5
133.10126	3.1
134.03633	1.1
135.04427	4.2
135.08047	2.1
135.11650	0.7
136.05176	4.1
137.05962	2.0
137.09598	3.6
139.07515	0.7
143.04903	1.4
143.08534	1.4
145.02847	2.5
145.06479	2.1
145.10123	2.3
146.03629	5.0
146.07269	3.8
147.04405	68.7
147.08031	7.2
147.11684	6.7
148.05263	2.8
148.08842	0.5
149.02350	10.2
149.05949	3.3
149.09618	7.3
150.03099	1.0
151.03914	0.9
151.07539	10.0
155.06105	0.8
156.09326	1.6
157.03967	7.5
157.06473	1.5
159.08012	1.0
159.11746	1.1
161.05975	55.7
161.09601	10.7
161.13229	4.4
162.03165	0.7
162.06436	1.1
163.03934	2.1
163.07523	2.5
163.11179	1.9
164.04683	9.8
164.08282	1.0
164.35883	0.7
165.09158	3.4
165.12778	2.1
171.11710	1.9
174.03114	3.3
174.06766	2.2
174.10472	0.7
175.03905	73.4
175.07449	6.4
176.04298	1.8
176.08330	36.5
177.01825	1.4
177.05463	3.3
177.09077	2.7
179.07024	11.1
179.08514	1.3
179.10677	1.4
189.05502	1.3
189.09119	11.0
189.12697	4.3
189.16461	0.7
192.04166	11.7
192.07813	2.6
207.06523	40.1
207.10132	23.2
207.13774	14.0
207.17514	0.9
208.06790	1.4
208.10387	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1015
Annotation	p-Methoxycinnamic acid ethyl ester
Peak:m/z	Relative Intensity
51.02392	0.2
53.03941	0.3
55.01871	0.5
55.05510	0.5
57.03428	0.3
59.04997	0.2
65.03944	0.5
67.05489	0.8
68.14114	0.2
69.03422	0.5
69.07065	0.5
70.12550	0.1
70.62590	0.5
71.04986	1.6
77.03930	0.2
79.05489	2.0
81.03386	0.2
81.07037	0.8
83.04967	0.4
85.02901	0.3
85.06560	0.3
89.03931	0.2
90.79563	0.2
91.05473	10.5
92.05810	0.2
93.07040	1.4
94.04138	0.1
95.04959	1.5
95.08596	2.0
97.06519	0.8
103.05454	2.1
104.06252	0.2
105.03379	0.2
105.04485	0.3
105.07021	6.9
106.04161	0.2
107.04941	1.9
107.08586	1.9
108.05731	0.2
109.06511	2.9
109.10180	0.4
111.04469	0.2
115.05461	1.4
116.06250	0.9
117.07037	1.2
118.04147	2.9
118.07807	0.3
119.04943	4.2
119.08582	3.2
120.08945	0.2
121.06488	3.9
121.10158	1.1
123.04433	0.4
123.08048	0.7
125.05988	0.2
125.09689	0.2
128.06204	2.8
129.06998	5.2
130.07825	0.9
131.04918	5.7
131.08554	3.3
132.05736	0.7
133.02832	0.6
133.06497	1.2
133.10109	2.1
134.03580	0.2
135.04375	0.3
135.08066	1.8
136.05164	0.6
137.05966	0.2
137.09610	1.3
139.07518	1.2
141.06920	0.2
143.04904	0.2
143.08537	1.2
144.05717	0.9
145.06459	1.9
145.10104	1.7
146.03606	2.4
146.07259	6.3
147.04402	2.1
147.08058	2.4
147.11684	2.0
148.04045	0.3
148.05177	4.7
149.02313	1.0
149.05939	0.5
149.09608	2.1
151.07530	0.7
155.06000	0.3
156.09366	0.8
157.06485	1.5
158.07158	0.2
159.04369	0.6
159.05502	0.2
159.08060	0.9
159.09177	0.2
159.11670	1.1
160.08853	0.6
161.05965	100.0
161.09587	23.1
161.13164	1.0
162.06319	3.5
162.09915	0.9
163.03926	0.3
163.07529	0.8
163.11148	0.7
164.04643	1.4
165.05403	0.2
165.09056	0.8
165.12776	0.3
171.08076	0.3
171.11667	1.3
173.05995	0.3
174.06761	3.1
174.10420	0.5
175.03874	0.8
175.07489	0.9
176.08305	0.2
177.12741	0.9
179.03349	0.2
179.07007	1.2
179.14336	0.3
189.09090	24.2
189.12663	2.9
190.09399	1.0
192.04172	0.6
207.02928	0.2
207.06487	4.0
207.10153	3.1
207.13779	5.2
208.06851	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1015
Annotation	Aristelegone C
Peak:m/z	Relative Intensity
51.02374	0.5
53.03931	1.3
53.37467	0.4
55.01853	1.4
55.05502	1.5
57.03421	0.6
57.07080	0.5
65.03933	1.0
67.05495	5.9
69.03421	4.3
69.07047	1.2
70.59238	1.2
71.04989	1.2
73.73241	0.5
77.03919	0.6
79.05492	7.8
81.03398	0.8
81.07050	3.4
83.04967	1.6
85.02906	4.1
91.05471	14.7
93.07037	4.8
95.04967	4.9
95.08585	3.1
97.02860	0.5
97.06496	1.1
99.04419	0.8
103.05465	1.7
105.03374	0.5
105.04498	0.5
105.07023	15.9
106.07339	0.5
107.04971	5.1
107.08585	5.2
109.02869	1.7
109.06527	3.8
109.10146	7.9
110.17033	0.5
111.04447	0.9
115.05446	3.3
116.06232	0.6
117.06193	0.5
117.07011	10.2
118.04137	1.5
119.04936	3.2
119.08566	11.0
120.38017	0.5
121.06480	5.4
121.10123	2.2
123.04413	1.6
123.08028	3.2
123.11678	1.8
128.06209	6.6
129.06993	6.3
131.04916	1.8
131.08542	2.9
132.05699	0.7
133.06477	4.0
133.10115	11.0
134.10478	0.6
135.08040	2.5
136.05234	0.5
137.05959	1.7
137.09608	10.7
143.08556	9.8
145.06462	3.9
145.10118	2.0
146.03642	1.4
146.07288	4.2
147.04411	2.2
147.06830	0.8
147.08032	14.0
147.11676	4.4
147.16136	0.5
148.05183	2.2
149.02376	0.8
149.05904	0.7
149.09598	3.7
151.03876	1.4
151.07509	1.9
155.06026	1.0
156.09459	0.8
157.06519	1.3
159.08067	1.0
159.11717	0.6
161.05969	33.7
161.09599	43.7
161.13235	2.9
162.06363	0.9
162.09966	1.9
163.07527	100.0
163.11136	2.8
164.04626	1.1
164.07906	3.2
165.05363	0.6
165.09091	6.9
165.12769	1.0
171.08023	2.7
171.11627	1.4
174.06790	2.3
175.03918	1.4
177.12839	0.6
179.06969	2.0
179.10637	1.3
185.56404	0.5
189.09087	20.1
189.10831	1.0
189.12703	4.1
190.09467	0.7
192.04242	0.9
207.06505	4.8
207.08209	0.5
207.10107	9.1
207.13724	7.8
207.17657	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1014
Annotation	3-Dimethylallyl-4-hydroxybenzoate
Peak:m/z	Relative Intensity
51.02390	1.0
53.03942	5.1
53.52583	0.6
55.01877	2.9
55.05510	2.8
59.04971	0.6
60.25234	0.5
61.82191	0.6
62.59631	0.6
63.73670	0.6
65.03924	1.1
67.05502	12.9
68.99776	0.6
69.03426	10.2
69.07063	1.7
70.15071	1.5
71.04976	2.7
77.03909	1.1
79.05020	1.3
79.05485	23.6
81.03420	0.9
81.07043	5.3
83.04967	3.8
91.05470	26.4
92.05802	1.2
93.07037	8.2
94.48586	0.6
95.04958	12.0
95.08595	6.4
96.05253	0.6
97.06522	2.6
98.23238	0.7
99.04453	4.3
103.05448	2.5
104.06236	0.6
105.03397	0.9
105.04486	1.9
105.07024	38.1
106.07319	1.2
107.04946	14.6
107.08589	7.1
109.02862	3.8
109.06506	7.1
109.10148	28.9
109.92960	0.6
110.10480	0.6
111.04387	3.3
115.05418	2.6
117.07009	7.7
118.07796	0.8
119.04913	4.7
119.08573	28.4
120.08932	0.8
121.06496	8.2
121.10125	3.5
121.93674	0.6
123.04454	3.6
123.08066	3.9
123.11685	1.2
125.05918	0.9
128.06218	16.6
128.07161	1.2
129.07010	10.6
130.07773	1.7
131.04910	2.2
131.08533	4.1
132.05678	1.9
133.06496	5.3
133.10115	28.7
134.03557	0.7
134.10442	1.2
135.08032	5.2
136.05191	1.1
137.05991	3.4
137.09605	34.7
138.09914	1.1
143.08549	26.9
145.06439	3.5
145.10118	4.3
146.03613	1.2
146.07263	9.3
147.04398	2.4
147.08037	37.5
147.11642	3.6
148.08531	1.2
149.02330	1.9
149.09610	22.5
150.09952	0.7
151.07518	2.0
155.05992	1.1
156.09297	0.9
159.08051	2.9
161.06030	3.9
161.09601	100.0
161.13184	3.0
162.09947	3.6
163.03790	0.9
163.07500	3.2
163.11179	5.2
164.04674	2.0
165.09103	13.7
165.12680	1.0
171.08003	2.5
171.11679	1.7
174.06708	3.3
174.10423	1.1
175.03865	0.7
179.07048	2.3
179.10646	3.9
189.09100	11.0
189.12735	6.2
192.04019	0.8
207.06493	5.1
207.10162	15.6
207.13751	13.7
207.15544	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.4
53.03943	0.8
55.01867	1.7
55.05507	0.8
57.03429	0.3
57.07075	0.4
59.05010	0.3
63.02400	0.3
64.03155	0.3
65.03938	3.4
66.77316	0.2
67.01862	0.3
67.05509	2.0
68.99782	0.6
69.03418	0.8
69.07057	1.0
69.71712	0.5
69.72128	0.6
71.04997	0.5
76.03156	0.2
77.03927	0.9
78.04720	0.3
79.05492	3.6
79.52641	0.3
81.03433	0.4
81.07058	2.3
83.04972	0.5
83.08621	0.3
85.02911	0.3
85.06568	0.3
85.71413	0.2
86.97789	0.2
89.03882	1.5
90.04700	0.6
91.05474	31.5
91.31605	0.2
92.05805	0.6
93.03393	1.4
93.07047	2.9
95.04968	2.2
95.08599	2.9
97.06516	0.4
99.04435	0.3
103.05455	3.6
104.02604	0.4
105.03412	1.4
105.04514	0.3
105.07026	12.7
106.04167	0.4
106.07338	0.3
107.04953	2.9
107.08582	2.2
108.05747	0.9
109.06505	1.2
109.10157	1.1
111.08051	0.3
115.05460	4.6
117.06992	1.1
118.04162	3.2
119.04936	27.2
119.08575	4.4
120.05287	0.8
121.02882	1.5
121.06493	2.5
121.10136	2.1
122.03671	0.3
123.04420	1.5
123.08077	2.6
123.11700	0.7
124.05225	0.3
128.06213	3.6
129.03326	0.5
129.06984	0.7
131.04898	1.3
131.08556	0.8
132.02094	1.9
132.05707	1.4
133.02899	0.4
133.06487	9.4
133.10115	3.6
134.03604	0.5
135.04445	1.5
135.08058	0.3
135.11671	0.6
136.05199	3.4
137.05974	1.0
137.09590	0.6
143.04953	0.4
143.08553	3.8
145.02834	0.7
145.06488	1.4
145.10065	0.4
146.03601	3.3
146.07254	1.6
147.04398	22.5
147.08040	4.5
147.11679	3.1
148.05185	7.0
149.02328	8.0
149.03542	0.3
149.06029	1.4
149.09610	3.5
149.13254	0.4
150.03033	0.5
151.03886	0.5
151.07541	5.1
151.11157	0.4
155.06039	0.3
155.14755	0.3
157.03951	1.8
157.06465	0.5
159.04436	0.3
159.11687	0.3
160.05241	0.3
161.05965	100.0
161.09589	14.8
161.13271	1.8
162.03168	0.5
162.06322	3.2
162.09940	0.5
163.03908	1.9
163.07489	0.3
163.11163	0.6
164.04668	9.0
165.05388	0.4
165.09062	0.6
165.12730	0.9
171.08046	0.9
171.11609	0.5
174.03133	3.1
174.06728	0.8
175.03905	16.5
175.07504	0.9
176.04269	1.0
176.08322	2.2
177.01817	0.3
177.05486	0.8
179.03528	0.3
179.07024	8.3
179.08492	0.6
179.10594	0.5
179.14325	0.3
180.07367	0.5
189.05515	0.6
189.09090	17.1
189.12646	1.1
189.16399	1.2
190.09448	0.6
191.03387	0.5
192.04166	6.9
192.07771	0.4
192.09328	0.6
207.06508	25.1
207.09941	4.4
207.11772	0.4
207.13744	3.6
207.17371	1.0
207.19122	0.3
208.06885	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1015
Annotation	p-Methoxycinnamic acid ethyl ester
Peak:m/z	Relative Intensity
50.23015	0.2
53.03934	0.3
55.01853	0.4
55.05499	0.7
59.47017	0.2
63.56503	0.2
65.03917	0.3
67.05501	0.6
69.03425	1.2
70.14252	0.9
71.01225	0.2
71.50762	0.3
77.93613	0.3
79.05472	1.7
81.07044	0.5
85.02886	0.2
85.65697	0.2
89.09724	0.2
91.05471	10.0
92.05814	0.3
93.07052	0.8
95.04948	1.1
95.08588	0.7
97.06451	0.3
98.23253	0.4
103.05464	1.7
105.03381	0.3
105.07021	5.9
107.04936	2.1
107.08585	0.6
109.06504	0.7
109.10143	0.3
115.05447	0.9
116.06223	1.0
117.06980	1.4
118.04145	3.5
119.04931	3.9
119.08570	1.9
121.06499	3.7
121.10101	0.4
123.04416	0.5
123.08044	0.9
128.06223	3.0
129.06996	5.2
130.07806	1.2
131.04921	6.2
131.08565	2.4
132.05692	0.5
133.02818	0.4
133.06470	1.1
133.10101	1.6
134.03583	0.3
136.05197	0.7
137.09563	0.5
143.08592	0.3
144.05667	0.9
145.06462	1.9
145.10088	0.8
146.03616	2.4
146.07248	5.6
147.04401	2.0
147.08083	1.4
147.11708	1.2
148.05171	4.8
149.02328	1.4
149.05891	0.5
149.09631	1.9
151.07541	1.1
155.05983	0.3
157.06450	1.3
158.07126	0.3
159.04366	0.5
159.07982	0.5
159.09196	0.5
160.08817	0.3
161.05963	100.0
161.09584	23.5
162.06310	3.6
162.09930	1.0
162.62567	0.2
163.03830	0.3
163.07518	0.9
163.11174	1.8
164.04662	1.7
165.09103	2.1
171.08078	0.5
174.03143	0.5
174.06758	3.2
174.10345	0.3
175.03871	1.0
175.07411	0.3
179.06964	1.5
189.09087	23.0
189.12627	1.8
190.09410	1.3
192.04163	1.0
207.06471	3.6
207.08392	0.4
207.10159	2.6
207.13766	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	207.1017
Annotation	Acetyleugenol
Peak:m/z	Relative Intensity
51.02376	1.0
53.03943	1.2
55.01875	4.2
55.05516	2.9
57.03438	1.8
65.00311	0.6
65.03938	1.3
67.05506	18.1
69.03444	3.3
70.00543	2.6
71.04985	1.9
72.80624	0.6
77.03957	1.1
79.05497	9.4
81.03426	2.6
81.07067	3.3
83.04977	3.2
85.02903	1.1
91.05481	61.9
92.05787	1.0
93.07046	6.1
93.46327	0.6
95.04960	5.9
95.08607	2.3
97.02875	1.6
97.06528	1.3
99.04463	1.5
103.05470	4.2
104.09167	0.6
105.03381	1.5
105.07031	45.5
106.04234	0.7
106.07383	1.3
107.04952	6.6
107.08604	3.9
109.06515	2.4
109.10202	0.8
111.04427	0.7
115.05460	5.5
117.07024	14.6
118.04202	0.9
119.04950	8.7
119.08582	79.6
120.08922	1.4
121.06506	3.8
121.10124	2.6
123.04438	5.9
123.08071	3.5
128.06216	13.9
129.07011	31.3
131.04919	2.4
131.08600	3.2
132.05692	2.2
133.02838	0.8
133.06488	4.1
133.10133	10.8
135.04384	1.0
135.08044	1.2
136.05222	1.1
137.05989	2.7
137.09595	2.2
141.05460	3.0
143.04846	1.2
143.08563	26.3
144.08917	0.9
145.06480	7.4
145.10133	1.6
146.03635	1.6
146.07239	2.2
147.04417	8.0
147.08047	100.0
147.11674	2.8
148.05196	1.5
148.08397	1.5
149.02325	1.1
149.09645	2.0
151.07565	3.3
153.06990	3.0
155.05988	2.0
157.06517	3.1
161.05981	27.7
161.09613	21.3
161.13228	2.0
162.05440	1.1
163.07509	1.9
163.11221	1.5
164.04646	1.0
165.05457	2.8
165.09128	9.9
165.12733	1.0
171.08080	5.1
171.11653	0.7
174.06818	2.1
175.03952	3.5
175.07605	1.6
177.05411	1.0
179.07048	7.3
179.10677	2.2
189.05435	1.3
189.09103	24.2
189.12732	2.0
192.04311	1.1
207.06523	8.4
207.10159	32.4
207.13589	4.1
208.05928	1.0
208.10515	1.6
229.28326	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1015
Annotation	Aristelegone C
Peak:m/z	Relative Intensity
51.02377	1.6
52.84003	1.0
53.00315	0.8
53.03934	3.2
55.01870	5.8
55.05497	4.2
57.03422	1.8
59.04989	1.1
65.03933	4.6
65.04219	1.0
67.05506	19.5
69.03429	7.8
69.07061	2.2
70.60116	2.0
71.04976	3.3
77.03918	3.0
79.05108	1.0
79.05494	12.8
81.03409	6.6
81.07028	4.2
83.04977	4.8
85.02882	1.4
85.06517	1.8
89.03898	1.6
90.04655	1.0
91.05479	85.1
92.05798	2.1
93.07051	8.8
95.04964	8.3
95.08588	4.0
97.06496	1.7
99.04455	2.0
103.05464	8.8
105.03386	1.9
105.07027	56.9
106.07335	1.5
107.04939	6.4
107.08587	7.5
108.05756	1.5
109.06528	5.0
109.10123	3.1
111.08083	2.2
115.05458	7.3
117.07010	14.1
118.04150	4.2
119.04940	33.2
119.08578	81.7
120.08878	1.7
121.02891	1.4
121.06479	8.0
121.10134	3.7
122.06824	1.3
123.04425	15.7
123.07211	1.9
123.08047	6.5
125.06040	1.3
128.06200	12.1
129.06998	27.3
130.07399	0.9
131.04904	3.9
131.08542	4.0
132.02043	2.1
132.05690	1.2
133.02803	3.0
133.06482	4.9
133.07567	1.3
133.10118	16.1
134.06013	1.5
135.04364	2.3
135.08041	3.4
136.05167	2.7
137.05960	3.9
137.09578	3.3
141.05405	3.7
143.04893	3.3
143.08554	24.2
144.08899	1.2
145.06520	4.8
145.10109	2.5
146.03604	3.6
146.07246	2.0
147.04402	32.7
147.08043	100.0
147.11682	7.6
148.08356	3.2
149.02336	5.5
149.05962	2.4
149.09613	6.1
151.03934	4.5
151.07579	4.4
153.06975	2.7
156.09305	1.7
157.03928	1.4
157.06467	2.2
159.08102	1.2
159.11685	1.8
161.05966	15.9
161.07181	1.8
161.09618	24.4
161.13242	8.1
162.05440	1.8
163.03825	2.8
163.07523	3.1
163.11172	1.8
164.04697	5.3
165.05484	4.8
165.09108	10.4
165.12697	2.0
171.07953	4.8
171.11700	1.5
174.03120	2.0
174.06705	1.9
175.03905	24.1
175.07478	1.8
177.01736	1.6
177.05403	2.5
178.05952	1.0
179.03502	1.3
179.06996	10.0
179.10596	1.6
180.80565	0.9
189.05399	3.9
189.09074	18.3
189.12704	6.3
192.04147	9.2
207.02945	1.8
207.06404	31.9
207.10136	35.9
207.13638	10.5
208.06165	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1015
Annotation	Narchinol A
Peak:m/z	Relative Intensity
50.19249	1.8
53.03944	3.6
55.01859	3.6
55.05492	3.1
55.59422	2.1
65.03934	7.7
67.05483	8.8
68.99807	1.8
69.03432	3.5
69.07054	3.3
71.04990	2.7
71.09177	3.3
79.05475	13.3
81.07040	8.3
83.04994	2.9
89.03888	3.2
91.05476	85.8
92.05793	3.2
93.03386	3.2
93.07043	11.2
95.04974	9.5
95.08607	15.3
102.45692	1.9
103.05447	8.6
105.03394	3.7
105.07034	35.9
107.04953	4.8
107.08577	9.4
108.05737	2.5
109.06500	8.7
109.10116	5.6
112.41257	1.8
117.07034	3.1
118.04147	7.8
119.04940	63.6
119.08574	17.5
121.02868	3.5
121.06505	9.5
121.10140	9.1
123.04425	10.4
123.08052	12.3
123.11726	2.7
128.06215	6.0
129.07001	24.4
131.04921	4.6
131.08569	2.8
132.02043	3.5
133.06487	30.3
133.10106	7.3
134.03641	3.0
135.04388	3.1
136.05211	14.3
137.05965	42.7
137.09546	2.2
145.06483	4.0
146.03627	12.1
146.07254	3.8
147.04404	51.4
147.08084	11.9
147.11658	8.5
149.02338	35.8
149.05957	9.1
149.09621	16.4
150.06766	15.1
151.07541	19.7
157.06482	30.2
158.07100	3.8
161.05940	11.1
161.09595	6.2
161.13249	9.5
163.03874	9.1
163.11133	2.4
164.04680	47.1
165.05254	1.9
165.09099	38.2
165.12769	4.1
174.03111	12.2
174.06735	10.6
175.03909	34.6
175.07526	23.1
177.05423	8.0
178.06253	2.5
178.07660	3.1
179.07030	32.1
179.08466	4.2
179.10629	2.8
189.09094	28.7
189.12730	6.3
189.16422	5.1
192.04184	23.1
192.07791	4.8
207.06514	100.0
207.10110	74.4
207.13664	18.0
207.17444	4.6
208.06830	5.9
208.10545	2.2
208.72128	2.2
227.31757	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1016
Annotation	p-Methoxycinnamic acid ethyl ester
Peak:m/z	Relative Intensity
50.30742	0.2
53.03936	0.6
55.01871	0.9
55.05516	2.0
57.03427	0.5
57.07065	0.5
59.04984	0.6
63.02374	0.3
65.03924	0.7
67.05508	2.5
69.03420	1.9
69.07066	1.5
70.68755	0.5
71.04976	1.1
77.03903	0.4
78.21667	0.3
79.05486	3.1
81.03401	1.5
81.07056	2.3
83.04984	0.9
83.08609	0.3
85.06532	0.6
88.70242	0.2
89.03890	0.4
91.05479	16.1
92.05791	0.4
93.07041	5.3
95.04957	1.6
95.08606	6.9
97.06521	0.7
98.18823	0.2
99.04442	0.3
99.08099	0.6
103.05480	2.3
104.06271	0.4
105.04546	0.3
105.07028	11.3
107.04951	2.6
107.08590	4.1
109.06496	2.5
109.10147	1.4
111.08077	0.7
113.06046	0.3
114.95399	0.3
115.05428	1.1
116.06228	1.0
117.06991	1.7
118.04150	4.4
118.07835	0.3
119.04943	7.7
119.08578	7.6
119.09419	0.4
121.06503	5.2
121.09270	0.5
121.10143	8.9
123.04395	0.3
123.08061	4.8
123.11674	1.4
125.09635	0.4
128.06219	3.4
129.07011	7.4
130.07765	1.0
131.03957	0.5
131.04926	6.3
131.08557	3.4
132.02022	0.4
132.05673	0.5
133.02837	0.8
133.06499	2.3
133.10132	3.5
135.04349	0.5
135.08046	1.5
135.11650	0.8
136.05219	0.4
137.05972	0.6
137.09665	1.6
137.13255	0.5
143.08551	1.2
144.05713	1.1
145.06506	3.2
145.10103	1.1
146.03616	2.8
146.07268	6.6
147.04413	4.2
147.08058	4.1
147.11690	5.1
148.05185	5.3
149.02353	0.8
149.05962	0.4
149.09616	6.1
149.13286	0.3
151.03941	0.5
151.07555	2.8
155.06087	0.4
156.09341	0.8
157.03876	0.4
157.06473	2.0
158.07240	0.5
159.04411	0.5
159.08040	1.3
159.11662	0.5
160.08852	0.5
161.05975	100.0
161.09604	24.0
161.13248	3.8
162.06369	2.6
162.09959	0.9
163.03908	0.5
163.07561	5.3
163.11205	1.7
164.04735	1.4
165.05516	0.4
165.09116	1.1
165.12769	1.7
171.08052	0.3
171.11668	1.1
173.05859	0.3
174.03093	0.4
174.06786	3.9
174.10327	0.6
175.03912	3.1
175.07483	0.7
176.08276	0.5
177.05505	0.3
177.09065	0.6
179.06984	2.2
179.10658	0.5
179.14233	0.5
189.09103	21.7
189.12703	4.7
189.16371	1.1
190.09622	0.6
192.04190	0.9
207.06503	4.7
207.10194	3.8
207.13803	9.3
207.17468	0.9
208.06052	0.5
208.14120	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1017
Annotation	p-Methoxycinnamic acid ethyl ester
Peak:m/z	Relative Intensity
51.02387	0.6
53.03931	0.5
55.01867	0.8
55.05515	2.1
55.77102	0.3
57.03430	0.7
57.07093	0.4
65.03930	0.8
67.05504	2.7
69.03441	1.9
69.03755	0.3
69.07066	1.4
70.26361	1.2
71.04985	1.8
77.03928	0.5
79.05489	3.5
81.03408	1.7
81.07052	3.7
83.04987	0.9
85.02888	0.6
85.06534	0.6
87.56157	0.3
89.03892	0.4
91.05479	16.3
92.05807	0.6
93.07040	7.6
95.04967	1.5
95.08606	7.6
97.06537	0.8
99.04453	0.3
99.08114	0.7
99.14758	0.4
103.05462	2.8
104.06230	0.4
105.07027	12.4
105.07745	0.7
106.07348	0.4
106.86307	0.3
107.04955	2.1
107.08591	5.6
109.06547	2.4
109.10148	2.0
111.08072	0.8
113.05991	0.4
115.05453	1.4
116.06224	1.1
117.07024	2.4
118.04164	4.3
119.04936	8.6
119.08582	9.9
121.06506	5.8
121.09263	0.7
121.10143	12.6
123.04449	0.6
123.07251	0.5
123.08070	5.9
123.11696	1.3
125.09619	0.4
128.06212	3.3
129.03357	0.4
129.06996	7.7
130.07761	0.7
131.04924	7.4
131.08566	3.2
132.02087	0.6
132.05708	0.8
133.02853	0.6
133.06485	2.4
133.10121	3.9
134.03702	0.4
135.08061	1.1
135.11702	0.7
136.05194	0.5
137.05997	0.8
137.09668	1.6
139.07655	0.3
141.06955	0.3
143.08577	0.9
144.05695	1.0
145.06479	2.7
145.10089	1.6
146.03616	3.1
146.07271	6.5
147.04417	5.8
147.08055	4.5
147.11681	5.7
147.31161	0.3
148.05185	5.3
149.02344	1.5
149.05930	0.6
149.09612	7.4
151.03922	0.9
151.07568	2.6
151.11166	0.5
155.05997	0.4
156.09306	0.6
157.06482	2.8
159.04407	0.7
159.08070	0.8
159.09280	0.4
159.11673	0.5
160.08815	1.0
161.05974	100.0
161.09602	21.7
161.13243	4.5
162.06355	2.6
162.09975	0.8
163.07545	5.2
163.11154	1.2
164.04678	1.4
165.09125	1.2
165.12779	1.8
171.08038	0.4
171.11685	1.2
173.06018	0.4
174.03154	0.6
174.06747	3.2
174.10414	0.5
175.03894	4.3
175.07614	0.8
176.08333	0.6
177.09059	0.4
177.12842	0.3
179.07019	1.8
179.10614	0.9
179.14304	0.8
189.09108	19.4
189.12732	5.9
189.16380	1.4
190.09451	1.0
192.04137	1.2
207.06493	5.2
207.10182	4.5
207.13806	12.9
207.17441	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1016
Annotation	p-Methoxycinnamic acid ethyl ester
Peak:m/z	Relative Intensity
50.01590	0.9
51.02361	1.0
53.03937	3.0
55.01873	6.0
55.05505	3.9
56.37822	0.7
57.03429	3.8
59.04977	1.9
63.02362	1.0
65.03935	10.0
67.05495	7.0
68.99763	1.4
69.02923	8.2
69.03410	3.3
69.07054	3.2
71.04982	3.4
77.03905	3.0
78.04706	1.5
79.05483	11.9
80.06271	0.9
81.03405	3.0
81.07056	8.3
83.04965	2.9
85.02918	5.1
85.06522	1.1
89.03908	3.6
90.04685	2.5
91.05476	100.0
92.05817	2.3
93.03375	3.2
93.07045	18.0
95.04960	7.8
95.08605	10.4
97.06516	2.1
103.05464	17.1
104.02579	1.6
105.03369	2.4
105.04527	1.9
105.07024	31.3
106.04150	1.9
106.07352	1.8
107.04945	9.2
107.08575	12.2
108.05715	3.2
109.06522	7.2
109.10163	4.5
111.08071	0.9
115.05437	9.2
116.06229	1.5
117.06988	5.1
118.04150	7.4
119.04937	76.8
119.08572	19.8
120.05233	1.1
121.02837	3.5
121.06501	29.4
121.10139	10.5
122.03628	1.2
123.04427	6.8
123.08064	13.3
123.11695	3.3
125.83723	0.8
128.06241	5.4
129.03357	1.9
129.04370	0.9
129.06975	3.4
131.04942	4.6
131.08578	4.5
132.02072	5.5
132.05685	1.2
133.02800	1.0
133.06491	20.5
133.10112	9.7
134.03627	2.8
135.04401	3.4
135.08032	2.9
135.11702	1.1
136.05197	7.2
137.05975	1.9
137.09599	3.2
139.07516	1.4
141.06995	1.0
143.08556	5.9
145.02834	1.1
145.06425	2.1
145.10097	3.9
146.03612	7.8
146.07234	2.8
146.19516	1.0
147.04396	60.7
147.08041	15.8
147.11693	11.6
148.05197	7.5
148.08495	1.0
149.02336	18.1
149.05972	21.7
149.09608	56.1
149.13196	1.4
150.02754	1.3
150.09962	0.7
151.04019	0.7
151.07539	9.1
151.11195	0.8
156.09291	2.0
157.03940	5.9
159.08032	1.4
159.11710	1.1
161.05971	93.3
161.09604	20.6
161.13261	10.7
162.03168	0.9
162.05339	1.4
162.06689	4.3
163.03831	3.3
163.07498	0.9
163.11182	1.7
164.04660	17.8
165.05406	1.3
165.09117	11.6
165.12732	5.1
171.08086	1.6
171.11726	3.9
174.03139	5.7
174.10353	1.6
175.03902	59.2
175.07443	1.6
176.04245	2.7
177.01854	1.0
177.05473	1.2
179.07022	18.1
179.08469	0.9
179.10599	2.7
189.05499	1.1
189.09105	23.3
189.12733	17.1
189.14493	1.0
189.16328	1.9
191.03308	1.2
192.04173	16.8
207.06512	54.2
207.10139	54.1
207.13763	37.6
207.17372	3.0
208.06776	2.6
208.10464	1.0
208.14120	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1016
Annotation	p-Methoxycinnamic acid ethyl ester
Peak:m/z	Relative Intensity
53.03957	1.9
55.01872	7.7
55.05506	1.1
57.03434	3.1
63.02380	0.8
65.03944	2.3
67.05511	2.6
68.99804	0.9
69.03420	1.0
69.19056	5.4
74.24334	0.5
77.03905	1.4
79.05492	8.7
81.07057	2.0
83.04969	1.1
83.08603	1.0
84.46599	0.6
85.06522	0.7
89.03939	1.6
91.05480	37.0
92.05807	0.9
93.03411	1.7
93.07045	12.3
95.04977	4.4
95.08614	1.9
103.05467	11.6
105.03398	1.0
105.04524	0.9
105.07025	16.6
107.04949	7.3
107.08589	1.3
109.06545	1.2
109.10148	1.4
115.05450	8.7
117.06998	2.8
118.04150	2.7
119.04939	23.2
119.08592	6.3
121.02886	0.9
121.06511	26.3
121.10144	3.9
123.04451	4.8
123.08070	1.3
123.11739	0.9
128.06213	5.2
129.07014	1.7
131.04922	2.6
131.08614	0.8
132.02043	2.3
132.05708	1.5
133.06482	20.1
133.10149	4.2
134.06847	0.8
135.08051	2.4
136.05231	1.5
137.05901	0.8
137.09593	0.7
143.08578	4.6
144.08998	0.7
145.06485	2.2
146.03673	1.4
146.07257	2.6
147.04407	20.2
147.08043	12.3
147.11690	1.6
148.05208	8.2
149.02351	5.3
149.05983	17.8
149.09621	2.4
151.07544	3.4
155.06018	0.7
157.03944	2.1
161.05974	100.0
161.09599	17.6
161.13187	0.7
162.06659	5.1
163.03928	1.2
163.07544	1.3
164.04680	4.5
165.09100	10.1
167.03253	0.6
167.07056	0.9
171.08009	1.0
174.03128	1.6
174.06709	1.4
175.03896	15.9
175.07375	0.6
176.04257	1.1
179.07007	5.4
179.10677	2.6
189.09099	21.5
189.16371	1.1
190.09410	0.7
192.04141	3.7
207.06570	14.4
207.10152	53.4
207.13754	2.4
207.17447	1.3
208.10518	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1016
Annotation	p-Methoxycinnamic acid ethyl ester
Peak:m/z	Relative Intensity
51.02369	0.4
53.03943	0.8
55.01867	1.7
55.05507	0.8
57.03429	0.3
57.07075	0.4
59.05010	0.3
63.02400	0.3
64.03155	0.3
65.03938	3.4
66.77316	0.2
67.01862	0.3
67.05509	2.0
68.99782	0.6
69.03418	0.8
69.07057	1.0
69.71712	0.5
69.72128	0.6
71.04997	0.5
76.03156	0.2
77.03927	0.9
78.04720	0.3
79.05492	3.6
79.52641	0.3
81.03433	0.4
81.07058	2.3
83.04972	0.5
83.08621	0.3
85.02911	0.3
85.06568	0.3
85.71413	0.2
86.97789	0.2
89.03882	1.5
90.04700	0.6
91.05474	31.5
91.31605	0.2
92.05805	0.6
93.03393	1.4
93.07047	2.9
95.04968	2.2
95.08599	2.9
97.06516	0.4
99.04435	0.3
103.05455	3.6
104.02604	0.4
105.03412	1.4
105.04514	0.3
105.07026	12.7
106.04167	0.4
106.07338	0.3
107.04953	2.9
107.08582	2.2
108.05747	0.9
109.06505	1.2
109.10157	1.1
111.08051	0.3
115.05460	4.6
117.06992	1.1
118.04162	3.2
119.04936	27.2
119.08575	4.4
120.05287	0.8
121.02882	1.5
121.06493	2.5
121.10136	2.1
122.03671	0.3
123.04420	1.5
123.08077	2.6
123.11700	0.7
124.05225	0.3
128.06213	3.6
129.03326	0.5
129.06984	0.7
131.04898	1.3
131.08556	0.8
132.02094	1.9
132.05707	1.4
133.02899	0.4
133.06487	9.4
133.10115	3.6
134.03604	0.5
135.04445	1.5
135.08058	0.3
135.11671	0.6
136.05199	3.4
137.05974	1.0
137.09590	0.6
143.04953	0.4
143.08553	3.8
145.02834	0.7
145.06488	1.4
145.10065	0.4
146.03601	3.3
146.07254	1.6
147.04398	22.5
147.08040	4.5
147.11679	3.1
148.05185	7.0
149.02328	8.0
149.03542	0.3
149.06029	1.4
149.09610	3.5
149.13254	0.4
150.03033	0.5
151.03886	0.5
151.07541	5.1
151.11157	0.4
155.06039	0.3
155.14755	0.3
157.03951	1.8
157.06465	0.5
159.04436	0.3
159.11687	0.3
160.05241	0.3
161.05965	100.0
161.09589	14.8
161.13271	1.8
162.03168	0.5
162.06322	3.2
162.09940	0.5
163.03908	1.9
163.07489	0.3
163.11163	0.6
164.04668	9.0
165.05388	0.4
165.09062	0.6
165.12730	0.9
171.08046	0.9
171.11609	0.5
174.03133	3.1
174.06728	0.8
175.03905	16.5
175.07504	0.9
176.04269	1.0
176.08322	2.2
177.01817	0.3
177.05486	0.8
179.03528	0.3
179.07024	8.3
179.08492	0.6
179.10594	0.5
179.14325	0.3
180.07367	0.5
189.05515	0.6
189.09090	17.1
189.12646	1.1
189.16399	1.2
190.09448	0.6
191.03387	0.5
192.04166	6.9
192.07771	0.4
192.09328	0.6
207.06508	25.1
207.09941	4.4
207.11772	0.4
207.13744	3.6
207.17371	1.0
207.19122	0.3
208.06885	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1017
Annotation	p-Methoxycinnamic acid ethyl ester
Peak:m/z	Relative Intensity
51.02389	0.4
53.03941	0.5
55.01870	2.2
55.05507	0.9
59.04994	0.2
65.03946	2.2
67.01855	0.7
67.05499	2.0
68.99802	0.5
69.03432	0.6
69.07043	0.4
70.69447	0.6
71.04992	0.6
77.03939	0.7
77.32109	0.2
78.04719	0.3
79.05492	4.6
80.06259	0.3
80.63471	0.2
81.03423	0.4
81.07067	1.3
83.01330	0.5
83.04987	0.4
85.02904	0.9
86.04982	0.2
89.03930	0.7
90.04696	0.4
91.05478	20.1
92.05819	0.5
92.74626	0.3
93.03400	1.1
93.07035	2.8
95.04972	2.4
95.08606	2.4
97.06544	0.3
99.04488	0.5
103.05462	3.3
104.02583	0.5
105.03387	0.7
105.04533	0.5
105.07029	13.5
106.07355	0.3
107.04957	2.6
107.08593	2.1
108.05737	0.8
109.02883	0.2
109.06517	0.9
109.10137	1.4
111.04437	0.3
111.08051	0.3
115.05456	5.6
117.03322	0.2
117.07007	1.2
118.04152	1.5
119.04943	15.1
119.08578	3.9
120.05765	0.3
121.02843	1.0
121.06507	4.1
121.10110	1.1
122.03687	0.3
123.04423	1.2
123.08067	1.9
123.11706	0.3
127.21561	0.2
128.06216	4.3
129.06973	0.7
131.04898	1.3
131.08566	0.9
132.02054	1.1
132.05687	1.1
133.06488	11.1
133.10129	2.9
134.03625	0.5
134.06754	0.3
135.04428	0.6
135.08058	0.6
135.11708	0.5
136.05206	2.0
137.05959	0.6
137.09624	0.6
138.06583	0.2
139.07561	0.5
141.05467	0.3
141.06905	0.4
143.04907	0.4
143.08563	4.8
145.06479	1.0
145.10120	0.5
146.03619	2.0
146.07230	1.0
147.04410	12.9
147.08043	6.4
147.11676	2.3
148.05197	7.5
149.02339	5.1
149.03217	0.1
149.05998	2.4
149.09612	2.9
149.13251	0.3
151.03970	0.3
151.07538	3.3
155.06042	0.4
156.09355	0.5
157.03938	1.0
159.08031	0.5
159.11662	0.6
161.05974	100.0
161.09598	15.6
161.13235	2.0
162.06323	3.6
162.09929	0.7
163.03935	1.1
163.07455	0.3
164.04698	5.6
165.05423	0.5
165.09117	1.2
165.12773	0.6
167.03355	0.8
171.08052	1.3
171.11670	0.6
174.03116	1.9
174.06714	1.2
174.10352	0.3
175.03900	10.8
175.07664	0.3
176.04309	0.5
177.05443	0.7
177.12735	0.4
178.07729	0.2
179.07034	5.5
179.08467	0.3
179.10718	0.3
189.09106	20.0
189.12698	2.2
189.16359	0.7
190.09457	0.8
191.03442	0.4
192.04167	4.0
207.06520	63.6
207.10121	6.0
207.13756	5.1
207.17448	0.7
208.06862	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	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03932	1.3
54.32539	0.4
55.01871	1.1
55.05498	1.9
59.04985	1.9
65.03928	0.7
67.05494	5.4
69.03434	4.5
69.07056	1.3
69.20105	3.9
71.05003	3.0
75.36091	0.4
77.03913	0.8
79.05489	8.5
79.86375	0.5
81.07054	4.5
83.04992	3.2
91.05479	7.9
92.34395	0.4
93.07040	6.7
95.04964	3.6
95.08601	5.0
97.06509	2.5
99.04437	1.6
105.07027	20.4
106.07320	0.5
107.04942	4.0
107.08588	9.8
109.02851	1.2
109.06515	7.6
109.10159	6.5
111.04437	1.0
111.08093	0.5
115.05438	1.0
117.07022	2.2
119.04929	3.0
119.08580	12.9
120.08900	0.7
121.06499	4.4
121.10147	8.1
123.04365	0.9
123.08062	13.5
123.11692	2.7
128.06198	4.3
129.06982	2.8
131.08539	2.8
133.06456	3.6
133.10129	8.8
134.10489	0.6
135.08018	1.6
137.05931	1.1
137.09612	11.5
137.13216	1.0
141.06976	0.9
143.08546	9.1
145.06461	1.2
145.10121	2.8
146.07263	2.4
147.08040	12.7
147.11687	6.9
149.09607	100.0
150.09967	3.6
151.07532	2.9
156.09337	3.3
159.08035	1.3
159.11693	0.6
161.05930	0.6
161.09605	25.9
161.13229	6.6
162.09921	1.5
163.11234	1.1
165.09140	3.4
165.12733	5.0
171.07957	0.8
171.11691	7.1
174.06735	0.7
174.10448	2.5
179.10684	1.0
189.09119	3.2
189.12735	22.3
190.13051	0.8
207.10098	3.6
207.13794	52.0
208.14104	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	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03931	1.1
55.01863	1.3
55.05505	1.6
57.07059	0.6
59.04999	2.8
61.69843	0.4
65.03942	2.4
67.05502	3.9
68.99793	0.7
69.03426	3.4
69.07060	1.2
69.09665	2.8
69.10085	1.5
71.04995	3.2
73.10509	0.4
73.84420	0.5
79.05492	5.0
81.03432	0.5
81.07047	4.7
83.04993	2.8
85.02909	0.9
85.06551	0.5
91.05478	16.4
91.43874	0.5
92.05795	0.8
93.03432	0.9
93.07046	7.6
95.04955	3.2
95.08604	6.7
97.06515	2.1
98.64697	0.4
99.04437	0.6
103.05452	2.2
104.10176	0.5
105.03416	0.6
105.06319	0.9
105.07029	16.9
107.04948	2.0
107.08592	9.1
108.05757	1.2
109.06510	7.3
109.10136	1.4
111.27734	0.4
115.05441	1.3
116.06229	0.5
117.07000	1.2
118.04144	1.4
119.04943	13.3
119.08570	11.3
121.02837	1.1
121.06506	6.1
121.09392	0.3
121.10139	9.8
123.04425	2.0
123.08057	15.7
123.11671	3.1
128.06247	1.5
129.06981	2.1
131.04938	1.4
131.08571	2.9
133.02846	0.6
133.06496	4.3
133.10117	4.5
135.04486	0.7
135.08017	1.6
136.05190	3.1
137.05951	0.8
137.09616	4.4
137.13206	0.8
141.06995	0.6
143.08540	3.4
145.06436	0.8
145.10127	2.8
146.03615	2.1
146.07213	1.1
147.04413	8.3
147.08054	6.4
147.11682	7.0
148.05154	0.8
148.12045	0.5
149.02336	7.5
149.05899	1.3
149.09610	100.0
150.09969	3.8
151.07535	6.0
152.08018	0.5
156.09331	4.3
157.06441	0.7
159.08049	1.4
159.11694	1.0
160.08896	0.5
161.05983	10.2
161.09605	8.4
161.13254	8.2
163.03871	1.7
163.11185	0.9
164.04668	7.3
165.09103	0.9
165.12743	6.9
166.93474	0.6
171.11693	8.0
174.03094	1.5
174.06711	0.7
174.10345	2.6
175.03911	2.4
177.05487	0.8
179.03342	0.5
179.07013	7.7
179.14288	0.8
189.09111	3.7
189.12733	22.7
190.13033	1.3
191.03377	0.7
192.04138	4.1
207.06505	16.6
207.10066	2.3
207.13789	54.3
208.06819	1.1
208.14084	1.8
209.85394	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03936	4.8
55.01861	3.9
55.05490	10.0
57.03429	23.0
57.07074	16.2
59.04985	5.1
65.03925	3.7
66.82191	2.6
67.05505	12.9
69.07055	8.5
69.20763	7.9
69.21176	11.7
79.05470	11.7
81.03384	4.0
81.07050	20.2
83.04967	20.6
83.08602	11.4
86.03638	2.2
90.76375	2.5
91.05469	50.1
93.07019	19.0
95.04952	7.9
95.08601	21.0
98.23339	5.3
103.05457	10.3
105.03431	3.4
105.07018	51.5
106.04821	2.4
106.07336	4.2
107.04925	8.0
107.08578	13.9
109.02865	73.0
109.06511	13.0
109.10131	8.4
110.15288	2.5
115.05433	13.3
117.06985	7.5
118.04153	5.5
119.04942	29.5
119.08575	45.8
119.86984	2.4
121.02853	4.9
121.06474	11.1
121.10109	9.0
123.04419	12.4
123.08063	18.5
123.11707	4.8
128.06194	3.1
129.07019	5.2
131.08527	6.6
133.06476	59.6
133.10112	23.8
136.05185	17.2
137.05925	8.1
137.09592	14.3
143.04890	4.9
143.08548	9.8
145.06425	4.6
145.10088	10.1
146.03604	10.4
147.04402	25.9
147.08049	24.3
147.11635	14.7
149.02341	22.2
149.05913	4.3
149.07042	2.5
149.09599	6.8
151.07529	32.4
151.11156	7.7
156.09317	8.3
159.08029	2.8
159.11673	3.5
160.05127	3.7
160.08809	18.0
161.09590	11.2
161.13208	22.9
163.03845	7.1
164.04666	36.9
165.05086	2.9
165.09100	38.9
165.12743	3.4
166.09431	3.9
171.11719	16.2
174.03102	11.1
174.10410	7.4
175.07510	17.5
177.05476	4.8
179.07021	28.6
180.07384	3.2
189.12704	46.8
189.16403	3.8
192.04126	16.6
192.07823	6.4
207.04611	5.6
207.06499	60.2
207.09927	9.9
207.12131	3.9
207.13774	100.0
207.17415	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	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03934	1.5
55.01859	1.4
55.05512	7.3
55.62202	0.9
57.07056	3.8
59.04993	1.5
65.03921	1.9
67.05154	1.9
67.05504	31.4
69.03421	5.8
69.07060	3.9
69.41528	6.9
71.04980	2.3
79.05495	7.1
79.96429	1.0
81.07046	7.2
83.04959	4.8
85.02899	2.8
85.06540	7.2
87.26335	1.1
91.05474	11.9
93.07048	15.6
95.04963	5.9
95.08604	100.0
96.08960	2.4
104.34430	1.2
105.07030	22.4
107.04927	1.5
107.08601	18.3
109.06486	5.6
109.10151	4.6
111.08102	2.4
113.05996	4.1
117.07009	2.5
119.08584	32.2
120.09377	1.9
121.06482	4.7
121.10144	18.3
123.08064	57.0
123.11691	11.2
124.08384	2.6
125.09578	1.8
131.08578	6.9
132.61595	1.2
133.06480	3.3
133.07465	1.1
133.10153	6.7
135.11716	3.4
137.09634	5.8
137.13249	2.2
139.07545	2.0
143.08549	1.7
145.10123	2.8
147.08049	6.6
147.11684	14.0
149.09612	60.4
150.09981	1.7
151.07495	2.4
151.14822	3.4
156.06506	1.3
156.09366	4.2
159.08078	3.2
160.08823	1.3
161.09656	3.0
161.13257	20.7
163.11162	3.8
165.09125	1.5
165.12752	12.5
171.11713	5.4
174.10422	2.9
179.14320	2.3
179.20970	1.0
189.12740	23.3
190.13065	1.5
207.13802	41.0
208.14198	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	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03951	0.9
54.05259	0.5
55.01861	0.6
55.05502	2.4
57.07063	0.8
59.05004	0.6
63.02373	0.6
64.08762	0.5
65.03939	2.2
67.01860	1.1
67.05501	3.4
68.99794	0.5
69.03413	0.6
69.07066	3.2
71.04996	4.0
77.03938	0.6
79.05473	3.6
81.07053	5.3
83.04977	0.8
85.02908	1.7
91.05479	22.1
93.03387	0.9
93.07043	6.6
95.04964	3.7
95.08604	12.3
97.06538	0.9
97.10164	1.0
97.22216	0.5
99.04456	1.2
103.05473	1.1
105.03403	0.7
105.07028	12.4
107.04936	1.0
107.08599	6.9
108.05744	1.2
109.06531	6.2
109.10153	6.2
115.05428	1.0
117.06992	0.9
118.04150	1.6
119.04947	14.9
119.07751	1.0
119.08579	15.7
121.02887	1.3
121.06490	2.3
121.10133	10.3
123.04420	2.0
123.08071	5.8
123.11695	2.4
128.06178	0.7
128.17729	0.6
131.04964	0.7
131.08531	1.3
132.02055	1.6
133.06467	2.3
133.10155	3.0
135.11646	1.2
136.05200	1.8
137.05994	0.8
137.09648	0.7
137.13251	0.8
145.10120	4.7
146.03619	2.6
147.03305	1.0
147.04417	13.1
147.08038	2.1
147.11684	17.8
149.02333	5.6
149.09624	2.0
149.13211	0.7
151.07510	3.1
156.09364	1.5
157.04041	0.9
160.01677	0.5
161.05968	3.5
161.09612	1.0
161.13245	10.0
163.03877	1.5
163.11176	2.2
163.14815	0.7
164.04686	5.0
165.12749	100.0
166.13118	2.8
167.03209	0.6
169.04961	1.1
171.11662	2.6
174.03128	2.2
175.03899	9.5
176.04211	0.7
177.05434	0.7
179.07030	5.1
179.10606	0.9
179.14281	9.6
189.12697	5.2
189.16451	1.2
192.04155	4.4
205.04955	4.0
207.06519	67.9
207.09785	2.2
207.13791	81.1
208.06851	3.3
208.14180	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	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03917	1.9
54.23462	1.5
55.01859	2.1
55.05500	6.0
57.03418	2.2
57.03692	1.6
57.07044	1.7
59.04996	2.1
62.84846	1.3
67.05509	8.3
69.03420	3.4
69.07060	10.6
69.62244	7.3
71.04986	11.2
77.03895	1.5
79.05500	15.0
81.07057	11.1
83.04978	2.5
85.06526	3.2
89.16376	1.3
91.05473	28.6
93.07043	15.3
95.04959	26.5
95.08607	47.1
95.09213	3.1
97.06526	23.2
98.23326	1.8
103.45617	1.3
105.06345	2.9
105.07023	41.7
107.04945	1.7
107.08594	35.2
108.08932	1.8
109.02841	1.5
109.06516	59.6
109.10158	4.0
111.04468	2.1
115.05429	3.1
116.06207	2.9
117.07026	11.3
119.04929	4.2
119.08575	43.0
120.08839	1.8
121.06506	3.3
121.10152	13.3
123.08075	11.5
123.11645	1.6
125.09539	1.8
128.06204	6.3
129.06995	7.0
130.07777	2.7
131.04964	1.4
131.07655	2.2
131.08565	30.6
133.06487	5.1
133.10121	13.4
134.86020	1.5
135.08051	49.0
135.11678	2.0
137.09610	36.9
137.44267	1.4
139.07524	21.2
141.07028	3.4
142.07793	2.2
143.08556	17.4
144.09319	2.0
145.06459	2.4
145.10114	28.6
146.07298	1.9
147.04378	2.2
147.08040	26.4
147.10555	2.8
147.11674	35.0
149.09604	29.0
150.09943	1.5
151.07484	3.9
156.09337	18.9
159.08067	3.4
159.11691	29.7
160.08818	2.1
161.05975	24.7
161.09602	18.9
161.13255	16.7
163.11185	3.7
165.09105	18.8
165.12749	7.1
171.11682	20.9
174.10391	3.1
175.03867	1.7
175.77260	1.4
176.11966	5.4
177.12747	28.9
178.13142	2.1
189.09154	4.5
189.12740	71.8
190.13042	3.9
207.06442	2.3
207.13792	100.0
208.14175	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	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02370	0.9
53.03940	1.6
55.01852	1.7
55.05500	2.3
56.65170	0.6
57.03410	1.0
57.07053	0.8
57.50814	0.7
58.58207	0.8
59.04995	4.7
65.03935	6.0
67.05505	3.4
69.03436	3.9
69.07056	2.7
69.57964	4.2
71.04981	3.1
77.03920	1.3
79.05492	6.6
79.54160	0.8
81.03411	1.1
81.07055	5.7
83.04964	3.3
85.02897	1.0
89.03905	2.4
90.06110	0.8
91.05476	57.4
92.05810	1.9
93.03415	1.1
93.07040	9.5
95.04953	4.7
95.08607	10.6
97.06519	2.0
101.03912	0.8
103.05473	3.5
105.03399	1.3
105.04466	0.7
105.07021	16.7
107.04931	2.7
107.08594	12.4
108.05733	1.8
109.06524	8.8
109.10139	4.2
115.05428	1.9
117.07001	1.2
118.04138	4.5
119.04939	53.1
119.08575	14.4
120.05271	2.3
121.02843	2.9
121.06494	5.9
121.10132	9.9
123.04411	2.6
123.08064	18.0
123.11697	4.5
125.09628	0.9
128.06219	1.1
129.03389	0.9
129.04430	1.2
129.06996	5.6
131.04915	1.1
131.08574	2.8
132.02060	4.4
132.05727	1.0
133.02858	1.1
133.06485	7.0
133.10161	5.7
134.03558	1.3
135.04391	2.9
135.08069	1.4
135.11714	1.2
136.05167	5.8
137.02316	2.4
137.05972	1.8
137.09575	4.4
137.13232	1.6
143.08539	3.1
145.10115	2.5
146.03580	4.9
147.04401	40.9
147.08052	4.6
147.11710	8.8
148.04784	2.5
149.02335	12.5
149.05994	2.0
149.09610	100.0
150.02814	0.7
150.09976	3.1
151.07533	7.2
156.09334	3.2
157.03975	3.2
157.06517	2.4
159.08055	1.2
159.11682	0.8
161.05980	10.3
161.09602	4.0
161.13234	8.3
162.03137	0.8
163.03857	2.6
163.07524	1.3
163.11188	1.6
164.04681	12.7
165.09129	1.3
165.12775	7.0
171.11691	7.4
174.03123	4.8
174.06721	1.5
174.10379	2.3
175.03906	40.0
175.07486	2.3
176.04251	1.5
177.01831	0.8
177.05453	1.8
179.07022	13.0
179.08585	0.8
179.10603	0.8
189.09090	7.3
189.12733	21.9
189.16333	2.9
190.13069	1.9
191.03438	1.0
192.04163	11.4
207.06517	40.9
207.09998	6.8
207.13799	52.8
207.17412	4.8
208.06821	2.5
208.14114	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	207.1743
Annotation	beta-Irone
Peak:m/z	Relative Intensity
51.23209	2.4
55.05508	17.8
57.07069	6.1
65.03925	4.1
67.05501	30.9
69.07063	23.8
69.33230	9.3
69.33656	10.8
69.82137	2.8
69.97559	2.4
79.05483	18.6
81.07051	39.2
83.08617	4.8
85.06536	5.9
91.05474	31.8
93.06502	5.1
93.07042	62.1
95.04945	9.4
95.08604	94.6
97.06495	4.4
97.10196	3.5
98.23299	5.8
103.05446	2.9
105.07032	48.5
107.08595	86.3
107.09328	4.5
109.06521	12.9
109.10158	27.4
111.08095	5.3
119.04966	5.9
119.08581	63.0
121.10143	23.9
123.08082	11.9
123.11681	10.0
131.08528	5.6
133.10130	64.9
135.11691	96.5
137.09616	12.4
145.10098	6.3
147.11696	43.2
149.02310	5.7
149.13254	67.0
150.13666	4.3
151.07477	3.3
151.11166	15.6
161.13303	14.1
163.14824	14.1
164.04692	5.8
165.12775	6.9
179.06984	4.3
180.65808	2.6
189.12747	4.7
189.16379	100.0
190.16777	3.1
192.14629	8.0
207.06470	8.1
207.13817	11.6
207.17444	73.1
208.17883	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	207.1742
Annotation	beta-Irone
Peak:m/z	Relative Intensity
53.03943	1.5
53.16385	0.7
55.05504	8.8
57.03425	3.7
57.07071	4.3
67.05502	12.5
69.06746	1.2
69.07066	10.0
70.11148	1.7
70.11508	2.1
71.04985	2.0
78.42159	0.7
79.05483	10.7
81.07053	19.0
83.04960	3.4
83.08619	3.0
85.06544	7.1
91.05473	14.4
93.07040	31.7
94.07379	1.1
95.01333	0.7
95.04977	2.5
95.08599	30.2
95.09212	1.6
97.06501	1.1
97.10142	1.2
103.05512	0.8
105.06340	1.5
105.07029	27.5
107.08591	68.0
108.08906	1.9
109.06498	5.6
109.10146	16.3
109.82808	0.7
111.08086	3.6
114.10626	0.8
119.06102	1.2
119.07733	1.8
119.08575	36.4
120.08918	0.8
121.06539	1.1
121.10147	12.5
123.08044	8.5
123.11697	8.2
127.07537	1.5
131.08562	1.6
133.10121	45.0
134.10452	1.8
135.11685	100.0
136.12012	3.4
137.09608	10.0
145.10078	2.8
146.03558	0.9
147.04442	0.8
147.11681	28.3
148.11990	1.1
149.09590	1.0
149.13255	9.4
151.07625	0.9
151.11172	17.0
152.11577	0.9
159.11650	1.2
161.13245	6.5
162.62650	0.8
163.14815	12.5
164.11928	0.8
165.12778	3.5
165.16299	0.8
179.07040	1.4
189.16374	67.7
190.16745	2.7
207.06502	2.2
207.17438	52.6
208.17717	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0808
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
50.73426	0.7
51.02362	1.2
51.30116	0.9
53.03946	9.7
55.01871	26.4
55.05507	6.4
57.03426	2.2
57.07063	1.3
64.79916	0.9
65.03627	1.2
65.03938	14.0
66.04706	1.0
67.05502	11.8
68.99760	1.3
69.03410	3.3
69.07064	6.0
69.64290	1.3
69.64703	3.6
70.06567	1.4
70.23269	0.8
71.04988	5.7
75.04478	7.6
77.03905	1.9
78.04704	11.4
79.05026	1.6
79.05489	27.7
81.03405	5.1
81.07050	9.9
82.04183	1.3
83.04970	8.6
83.08608	1.3
85.02911	7.0
85.06535	2.4
88.12451	0.9
89.03912	7.3
89.06026	2.1
91.05478	60.1
92.05775	1.8
92.06280	1.5
93.02858	1.6
93.03403	26.1
93.07043	40.3
95.04964	23.1
95.08591	5.3
97.02900	1.6
97.06522	12.4
99.04453	2.0
99.08063	1.0
103.05463	34.0
105.03391	3.8
105.04513	4.5
105.07024	15.2
106.04168	67.8
107.04974	19.0
107.08590	23.0
108.02122	1.0
108.05737	1.6
109.02947	1.3
109.06522	9.1
109.10153	2.4
111.04443	6.0
111.08091	1.8
116.06272	1.2
117.03382	6.5
117.07035	4.9
118.04156	2.4
119.04935	7.5
119.08600	6.5
120.05703	5.2
121.06501	100.0
121.10134	14.8
122.03648	1.7
122.06827	1.4
122.07277	1.6
123.04438	8.4
123.08057	5.1
123.11665	1.1
124.05192	1.6
125.05978	21.9
125.09613	2.1
129.06973	2.5
130.04095	1.2
131.04918	14.9
131.08560	28.0
133.02910	1.4
133.06480	2.9
133.10120	3.0
134.03627	14.0
135.04425	7.4
135.08040	4.2
135.11679	4.5
137.02318	1.8
137.05963	13.7
137.09575	2.2
138.03120	1.7
138.06741	3.5
139.07526	6.2
145.02840	8.0
145.06453	2.0
145.10123	16.6
146.03491	0.9
147.04442	5.4
147.08005	3.1
147.11673	2.2
148.05176	34.7
149.05974	99.0
149.09608	37.7
149.13205	2.8
150.06377	2.7
151.03934	4.4
151.07550	6.8
151.11154	2.3
153.05461	11.6
153.09093	12.0
159.04396	3.0
159.05566	1.5
162.03076	2.8
163.03815	3.3
163.07581	11.3
163.11201	11.4
163.14830	1.5
165.05478	2.4
165.09088	3.4
166.02603	1.3
166.06218	8.0
167.07039	7.4
167.10661	4.0
167.14330	1.0
167.96231	1.0
173.09604	3.2
173.13232	1.0
176.04659	7.2
176.96373	0.9
177.05464	61.4
178.06059	1.9
179.03305	2.0
181.04939	3.4
181.06473	1.1
181.06793	1.3
181.08575	17.1
191.07030	11.2
191.10681	18.2
191.14293	3.2
193.04939	2.4
194.05753	24.2
194.53983	0.8
195.06299	0.9
209.04465	5.9
209.08075	81.9
209.11635	22.2
209.15347	12.4
210.08414	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	209.0808
Annotation	Sinapyl aldehyde
Peak:m/z	Relative Intensity
53.03941	9.6
53.98272	1.3
55.01870	10.8
55.05504	4.4
60.85838	1.2
61.02902	1.7
65.03934	14.7
65.67141	1.2
67.05496	9.6
69.03424	1.7
69.07053	4.2
69.53856	7.7
69.73804	1.1
70.06557	1.3
71.04996	2.5
75.04469	12.9
77.03916	1.9
78.04710	15.7
79.05489	14.3
81.03400	4.3
81.07045	7.6
83.04984	2.6
83.08598	3.0
85.02909	11.8
89.03925	7.1
89.06024	2.3
91.05476	55.3
93.03403	34.9
93.07040	28.0
95.04962	21.0
95.08611	7.1
97.06522	16.0
98.66010	1.2
103.05457	22.2
105.03378	4.3
105.04522	4.2
105.07012	6.6
106.04166	88.9
107.05001	8.3
107.08594	7.6
108.05749	2.1
109.06535	6.3
109.10164	2.0
111.04433	2.5
111.08101	2.4
117.03368	5.0
117.07022	2.9
118.04168	2.2
119.04887	6.0
119.08600	2.4
120.05719	2.5
121.06499	87.5
121.10137	4.4
121.53677	1.1
122.03634	2.0
122.06853	2.0
123.04427	6.4
123.08061	2.5
124.05187	3.7
125.05992	23.8
126.06403	1.3
131.04933	9.2
131.08560	4.5
133.02811	1.7
133.06487	2.3
134.03621	15.1
135.04379	5.6
135.05344	1.3
135.08005	3.1
135.11684	3.6
137.05974	13.2
138.06752	3.8
139.07561	6.9
141.82654	1.3
143.02818	1.5
145.02827	5.0
145.10121	4.2
147.04367	4.2
148.05190	13.4
149.05971	100.0
149.09624	3.1
149.13194	2.1
150.06366	3.3
151.03802	1.3
151.07526	5.7
151.87129	1.3
152.04671	1.8
152.08260	2.3
153.05473	8.3
153.09105	19.1
159.04433	1.5
163.03859	1.7
163.07581	9.2
163.11160	5.5
165.05496	3.6
165.12793	1.4
166.06244	5.0
167.07034	3.4
177.05463	40.5
178.05981	2.0
179.06953	1.9
181.08594	22.4
191.07027	3.6
191.14259	2.4
194.05779	4.2
209.08061	24.5
209.11674	5.7
209.15408	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	209.0808
Annotation	Sinapyl aldehyde
Peak:m/z	Relative Intensity
51.02366	1.6
53.03947	8.9
55.01869	15.0
55.05500	3.7
57.03441	2.4
57.07054	1.2
59.09208	1.1
61.02919	1.2
65.03938	16.0
67.05500	9.1
68.67183	1.0
69.03441	1.8
69.07064	2.4
69.17792	9.0
69.18198	1.5
70.06591	1.9
71.04981	2.9
75.04470	11.9
76.19117	1.1
78.04298	1.3
78.04713	13.2
79.05487	14.9
81.03421	2.9
81.07049	9.2
82.04195	1.9
83.04969	2.4
85.02911	10.1
85.06550	1.5
89.03902	6.6
89.06043	2.5
91.05473	52.3
93.03396	35.0
93.07036	26.2
94.04189	2.3
95.04965	17.6
95.08572	6.6
96.05755	1.4
97.06535	12.9
98.23260	2.2
103.05460	24.5
105.03394	3.2
105.04498	2.8
105.07004	5.3
106.04166	88.3
107.04999	8.9
107.08586	8.7
108.02057	1.9
109.06516	6.1
109.10149	1.4
110.03642	1.5
111.04446	3.4
111.08024	1.5
117.03358	7.1
117.07008	2.0
118.04138	3.1
119.04929	6.3
119.06129	1.2
119.08550	2.9
120.05724	3.3
121.06497	88.1
121.10138	3.9
122.06762	1.8
123.04425	5.2
123.08060	4.2
124.05186	2.7
125.05980	25.7
125.09620	2.4
131.04932	9.1
131.08577	3.1
133.02788	2.0
133.06503	2.2
133.10124	1.6
134.03616	16.9
135.04399	5.3
135.08022	3.3
135.11641	3.6
137.05977	13.7
138.06732	4.3
139.07532	6.3
145.02841	6.1
145.10103	3.7
147.04382	4.0
148.05183	11.7
149.05968	100.0
150.06319	2.4
151.03905	2.4
151.07545	3.9
153.05490	9.1
153.09079	19.2
162.03185	1.7
163.03909	2.5
163.07498	6.5
163.11192	6.8
164.04659	1.4
165.05487	2.6
166.06221	4.2
167.07022	3.0
176.04700	2.0
177.03911	2.1
177.05469	41.9
178.05963	1.7
181.08571	20.9
191.07011	6.6
191.14290	3.6
194.05902	2.5
209.08058	30.7
209.11552	2.6
209.13460	1.7
209.15349	9.6
210.08485	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0808
Annotation	Sinapyl aldehyde
Peak:m/z	Relative Intensity
50.01602	1.5
53.03943	6.9
55.01872	92.8
55.05512	1.8
56.02185	1.6
57.03437	3.3
57.07077	1.5
64.61462	1.5
65.03938	8.4
67.05489	5.1
69.03426	2.8
69.18735	10.0
75.04475	3.7
77.03900	1.3
78.04707	8.5
79.05498	9.5
80.82633	1.1
81.03417	2.6
81.07045	4.7
83.04975	1.7
85.02895	4.9
89.03919	13.8
89.06019	1.6
91.05479	48.5
92.06276	1.8
93.03409	16.8
93.07041	21.8
95.04968	13.4
95.08595	2.9
97.06523	5.4
97.34666	1.1
102.04675	3.8
103.05465	42.0
105.03371	2.3
105.04467	1.8
105.07021	4.2
106.04173	41.3
107.04956	12.7
107.08601	4.7
109.06529	2.5
109.10130	1.4
110.03627	1.8
111.04446	2.9
117.03383	21.3
118.04140	7.4
119.04956	11.4
120.05759	7.0
121.02831	1.5
121.06503	66.2
121.10120	3.6
123.04423	3.2
123.08070	2.8
124.05165	1.6
125.06001	11.5
130.04152	3.4
131.04921	21.9
133.02852	6.1
133.06490	3.2
133.10089	1.6
134.03633	17.3
135.04396	4.6
135.08080	1.2
135.11691	1.7
137.06000	5.6
138.03105	4.1
138.06754	2.9
139.07515	2.8
145.02844	33.3
145.10143	2.1
146.03601	1.3
147.04414	12.2
148.05180	16.1
149.05978	77.0
149.09595	1.8
149.13263	1.5
150.03116	1.3
150.06389	1.8
151.03905	5.1
151.07513	2.0
153.05450	17.9
153.09096	6.8
159.04381	3.1
159.05542	3.6
162.03114	2.3
163.03902	5.4
163.07561	11.6
163.11203	2.3
164.04718	2.2
165.05609	2.7
165.12723	2.4
166.06227	6.4
167.03395	1.5
167.07069	2.1
169.73465	1.3
176.04723	7.0
177.05470	100.0
178.05862	2.6
179.08469	1.6
181.04988	3.3
181.08585	17.0
191.07036	39.5
191.14276	1.9
193.04982	4.2
194.05748	3.7
194.10902	1.3
209.08076	63.4
209.11551	2.9
209.13441	2.3
209.15326	3.8
229.78186	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0809
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
52.44495	0.2
53.03948	0.6
55.01876	0.9
55.05516	1.1
57.03160	0.2
57.03438	5.9
62.62334	0.2
65.03945	0.6
67.05511	0.8
69.03432	0.4
69.07086	0.6
69.57746	0.3
71.05000	0.6
71.12228	0.4
78.04723	0.3
79.05491	1.9
81.03427	0.4
81.07056	0.7
83.04967	1.3
83.08631	0.5
85.02901	0.4
85.06547	0.3
89.03909	0.3
91.05487	2.9
93.03403	0.5
93.07040	2.8
95.04971	2.5
95.08598	0.4
97.06539	0.7
99.04482	0.3
103.05482	1.9
105.07009	1.2
106.04179	1.3
107.04955	100.0
107.08589	1.5
108.05275	2.3
109.06532	0.8
109.10139	0.4
110.59556	0.3
111.04437	0.3
117.07011	0.2
119.04932	1.1
119.08595	1.0
121.06505	4.0
121.10134	1.5
123.08052	0.5
125.05973	0.8
125.09561	0.3
131.04919	2.2
131.08559	1.7
133.10109	0.4
134.03625	0.6
135.04431	0.5
135.08046	0.8
135.11621	0.3
137.05988	1.4
138.03044	0.3
145.02763	0.3
145.10141	1.3
147.04445	1.7
148.05225	0.6
149.05992	3.3
149.09607	2.1
151.07526	0.5
151.11194	0.4
153.05482	0.6
153.09109	0.6
159.04369	0.3
163.03868	0.4
163.07500	1.1
163.11156	0.8
165.05397	0.5
165.09140	0.4
166.02557	0.4
167.07050	0.8
167.10695	0.3
173.13301	0.3
177.05464	2.4
179.06970	0.3
181.08563	0.9
191.07045	0.5
191.10687	1.0
191.14322	0.8
194.02115	2.0
194.05699	0.4
209.04507	2.3
209.08066	9.1
209.11365	1.3
209.15347	1.0
228.41948	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0808
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
50.62966	1.0
53.03949	9.0
55.01871	13.9
55.05497	4.1
58.56878	1.1
59.04987	1.4
65.03630	1.6
65.03938	13.3
67.05500	10.0
69.03429	4.0
69.07047	3.4
70.59448	2.2
70.59825	2.5
70.67685	1.1
71.05010	2.6
75.04475	12.1
77.03924	2.4
78.04708	13.1
79.05493	12.0
81.03407	4.9
81.06618	1.6
81.07055	10.5
83.04953	4.0
83.08618	1.9
85.02897	9.9
85.06546	1.8
89.03917	5.9
89.06024	3.2
91.05479	47.8
91.06057	2.3
93.03403	36.0
93.06133	1.8
93.07043	25.8
95.04956	23.0
95.08607	8.6
97.06528	15.1
99.04401	1.2
103.05466	19.8
105.03391	3.3
105.04518	4.0
105.07021	8.8
106.04169	82.1
107.04970	7.7
107.08590	12.6
108.05722	2.5
109.06540	6.2
109.10165	5.9
111.04422	4.2
111.08086	2.5
117.03360	4.8
117.07003	1.4
119.04926	6.7
119.05966	1.7
119.08582	4.2
120.05732	2.7
121.06497	80.4
121.10109	8.8
122.03614	1.3
122.06786	1.4
123.04409	4.2
123.08038	3.6
123.11682	1.5
124.05217	2.5
125.05978	22.2
131.04919	8.5
131.08551	3.1
133.02838	2.6
133.06473	2.8
133.10144	1.6
133.69609	1.1
134.03627	15.7
135.04437	3.8
135.08060	4.4
135.11671	6.4
136.05161	1.5
137.05965	10.4
138.03125	1.2
138.06734	3.5
139.07555	5.4
145.02898	5.4
145.10161	5.3
147.04369	2.2
147.11664	1.4
148.05208	12.5
149.05974	100.0
149.09610	4.7
149.13254	5.0
150.06345	3.1
151.03929	2.8
151.07536	5.7
151.11197	3.6
153.05502	7.2
153.09100	15.9
159.04361	2.3
161.05981	1.5
162.03033	1.4
162.06320	1.5
163.03905	2.3
163.06459	3.5
163.07640	6.6
163.11208	7.5
163.14792	1.5
165.05470	2.4
165.12732	3.7
166.06255	4.1
166.07623	1.1
167.07042	4.7
167.14349	1.5
173.13268	2.5
176.04707	3.9
177.05473	41.5
177.12747	1.7
178.05809	1.9
181.04977	2.3
181.08615	24.0
181.10095	2.0
191.06937	5.5
191.10701	2.2
191.14287	3.6
194.05818	5.3
194.07266	1.3
194.09294	1.1
209.04333	2.0
209.08113	35.4
209.10010	2.3
209.11665	6.5
209.13364	2.2
209.15302	12.2
209.18864	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0807
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
52.83261	1.2
53.03941	7.6
55.01863	8.2
55.05514	7.3
57.03425	1.5
65.03938	12.3
67.05495	5.3
69.03409	1.5
69.46352	7.4
71.04982	2.6
75.04469	7.4
77.03905	2.3
78.04695	11.2
79.05491	9.3
79.72699	1.2
81.03403	1.4
81.07041	5.2
82.52377	1.3
83.04987	8.0
83.08624	2.5
85.02885	6.5
85.06487	1.6
89.03896	3.7
89.06029	1.6
91.04922	2.7
91.05471	40.1
93.03397	21.7
93.07041	18.2
95.04968	16.7
95.08593	4.9
97.06526	13.4
98.23278	2.5
99.04460	1.8
103.05459	15.8
105.03380	2.2
105.04509	2.4
105.07018	5.8
106.04163	56.9
107.04974	14.1
107.08585	7.5
108.05766	2.4
109.06512	16.2
109.10149	4.1
110.43826	1.1
111.04410	1.8
111.07961	1.6
117.03378	4.1
119.04917	4.7
119.08569	3.1
120.05693	1.6
121.02863	3.4
121.06496	59.1
121.10132	5.4
123.04408	5.0
123.08084	4.7
124.05201	1.9
125.05987	17.6
131.04942	4.9
131.08539	6.6
133.02820	2.3
133.06535	1.9
133.10143	3.2
134.03650	10.5
135.04416	9.1
135.07988	1.4
135.11697	1.6
136.05180	11.8
137.06009	8.6
138.06734	4.1
139.07521	4.8
145.02821	2.4
145.10117	5.5
148.05176	8.4
149.05968	70.4
149.09607	5.8
150.06319	2.1
151.03915	10.9
151.07515	12.1
151.11169	4.1
153.05441	5.6
153.09105	15.7
159.04369	1.7
163.03900	29.0
163.07562	5.7
163.11121	2.7
164.04254	1.7
165.05481	4.9
166.04832	2.3
166.06242	46.9
167.07045	2.3
167.10593	1.2
167.14294	4.2
176.04601	1.6
177.05464	30.5
178.06241	100.0
179.03389	3.4
179.06770	3.8
181.08588	35.7
181.69482	1.4
191.03430	2.4
191.06972	2.7
191.10680	4.2
191.14369	2.5
194.05685	6.3
209.06099	2.8
209.08081	49.3
209.10010	3.2
209.11685	3.7
209.13661	1.7
209.15340	7.6
216.79358	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1172
Annotation	3,8-Dihydroxy-1,2,4-trimethoxyxanthone
Peak:m/z	Relative Intensity
53.03930	1.1
55.01861	3.0
57.07071	1.4
60.35899	0.7
65.03928	1.7
67.05488	2.9
69.07070	1.0
69.11273	4.1
69.11703	2.6
70.06582	2.5
75.04471	0.9
78.04692	1.2
79.05489	3.9
80.06252	1.0
81.07046	2.6
81.08111	0.7
83.04946	1.3
91.05474	16.9
93.03386	2.4
93.07064	3.8
95.04949	3.3
95.08597	1.9
97.06468	0.9
98.23252	1.4
103.05462	6.6
105.03376	2.0
105.07031	5.7
106.04161	3.2
107.04948	15.8
107.08582	2.4
108.05739	1.4
109.02904	0.7
109.06515	3.2
110.03667	1.3
111.04456	4.4
111.08064	0.8
115.05453	4.1
116.06223	1.0
117.07007	4.6
119.04937	10.3
119.08554	2.6
119.95052	0.7
120.05749	1.1
121.02879	1.3
121.06505	22.5
121.07388	1.1
123.04404	4.2
123.08043	3.5
124.05212	1.0
125.06004	4.1
131.04893	7.7
132.05673	1.4
133.02856	6.0
133.06494	6.1
134.07262	2.5
135.04445	1.8
135.08043	16.1
135.84700	0.7
136.05197	6.3
136.08833	1.1
137.05975	5.1
138.06783	3.5
139.03937	0.9
139.07463	1.7
140.04715	0.7
144.05733	1.0
145.06490	2.2
146.07285	5.4
147.04410	20.9
147.08032	12.2
148.05188	8.9
148.08809	1.3
149.05971	12.2
149.09587	5.4
151.03873	2.4
151.07535	26.4
152.04655	1.0
152.08173	2.2
153.05457	16.3
153.09038	1.3
154.06230	2.8
158.56371	0.8
161.05925	4.3
162.06760	13.2
163.07539	29.3
163.11172	1.1
164.08321	2.6
165.05473	15.9
165.06870	0.6
165.09090	1.6
166.06253	21.7
167.06955	1.6
168.07817	30.0
169.08530	1.2
175.07578	0.7
177.05441	3.5
177.09077	16.2
177.46130	0.7
178.09877	60.1
179.07027	31.9
179.08395	1.6
179.10451	3.4
181.08582	78.6
182.08942	1.8
193.08551	1.1
194.09378	70.1
195.09686	1.5
209.11710	100.0
209.15341	7.4
210.12047	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	209.1171
Annotation	3,8-Dihydroxy-1,2,4-trimethoxyxanthone
Peak:m/z	Relative Intensity
53.03933	3.2
55.01860	3.0
55.05513	3.6
57.07062	4.2
65.03949	2.6
67.05486	4.0
68.99773	1.3
69.07063	2.1
70.06582	5.1
78.04713	1.5
79.05474	5.3
81.07045	3.4
83.04956	3.5
84.88573	1.3
85.02885	1.6
91.05471	21.0
93.03384	3.7
93.07035	7.5
95.04962	5.4
95.08603	3.5
97.06517	5.4
103.05460	10.4
104.06256	1.5
105.07012	6.7
106.04155	5.8
107.04955	18.6
107.08548	4.2
107.80322	1.5
109.06510	3.6
110.03625	1.8
111.04421	4.4
115.05421	3.7
117.06985	5.8
119.04927	14.4
119.08569	4.2
120.05709	1.6
120.40017	1.3
121.06502	26.2
121.10176	2.2
123.04417	6.1
123.08055	6.0
123.11610	1.3
125.05964	7.1
125.09612	1.6
131.04893	6.5
133.02867	6.8
133.06439	7.1
135.04428	2.9
135.08060	18.9
136.05203	6.5
137.06000	6.7
138.06714	3.5
139.07521	2.0
145.06500	3.0
146.07265	5.2
147.04391	23.0
147.08038	13.5
148.05208	11.0
148.08847	1.9
149.05971	17.0
149.09630	3.8
151.03894	2.0
151.07536	29.5
153.05464	18.9
153.09109	2.9
154.06253	3.4
154.15350	1.3
161.05994	4.6
162.06737	15.4
163.07529	25.8
163.14789	1.9
164.08235	1.9
165.05484	13.8
165.06796	2.7
166.06261	21.2
167.06808	1.9
168.07814	24.5
176.08264	1.6
177.05444	7.2
177.09120	16.7
178.09875	60.8
179.07043	25.1
179.08571	2.6
179.10587	2.8
181.08582	76.6
182.08994	2.6
191.10605	2.4
191.14268	2.2
193.08441	1.6
194.09370	67.1
194.10721	2.5
195.09770	3.0
209.08308	3.3
209.11703	100.0
209.15047	16.4
210.12131	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.117
Annotation	3,8-Dihydroxy-1,2,4-trimethoxyxanthone
Peak:m/z	Relative Intensity
51.02371	0.5
55.01870	1.3
65.03944	1.7
67.05501	1.4
69.03442	0.5
69.40107	3.0
70.06563	0.6
71.04957	0.5
77.03902	0.6
78.04700	1.0
79.05492	2.7
81.07047	1.3
81.56581	0.5
91.05466	13.5
91.06033	0.7
93.03407	1.8
93.07041	2.4
95.04939	1.5
95.08569	1.0
98.23306	0.7
103.05448	5.2
105.03393	1.3
105.07030	5.1
106.04185	1.9
107.04937	16.3
107.08584	1.2
108.05728	1.3
109.06502	3.1
110.03688	0.8
111.04445	1.8
115.05443	3.3
116.06203	0.6
117.07008	4.5
119.04935	13.0
119.08572	1.8
120.05734	0.6
121.02826	0.6
121.06488	19.1
123.04427	3.6
123.08084	3.8
125.05952	3.9
129.06950	0.7
131.04890	4.0
131.08524	0.6
132.05670	1.4
133.02838	5.7
133.06458	5.8
134.03621	0.8
134.07249	1.9
135.04410	1.9
135.08035	13.9
136.05202	6.6
136.08859	0.6
137.05977	4.8
138.06799	2.6
139.07503	1.9
145.06458	3.2
146.07249	5.9
147.04398	17.5
147.08038	14.0
148.05180	6.7
148.08739	1.7
149.05965	9.9
149.07014	0.6
149.09587	4.1
151.03934	3.2
151.07530	25.2
152.08243	1.6
153.05443	15.4
153.09030	1.1
154.06245	3.1
159.08064	0.8
161.05988	4.1
162.06744	13.7
163.07530	28.2
164.08292	1.4
165.05461	13.9
165.09064	1.3
166.06245	19.5
167.06821	1.0
168.07797	31.6
169.08386	1.6
175.07491	0.7
176.08191	1.2
177.05487	1.3
177.09103	13.5
178.09869	54.7
179.07013	33.6
179.10449	3.7
180.07428	1.0
181.08574	81.4
182.08929	1.8
191.07071	0.7
194.09367	67.5
195.09695	1.9
209.11700	100.0
210.12007	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	209.1171
Annotation	3,8-Dihydroxy-1,2,4-trimethoxyxanthone
Peak:m/z	Relative Intensity
53.03946	9.1
53.48907	1.7
55.01606	3.0
55.01868	54.4
55.93277	1.9
57.03411	3.2
65.03937	9.9
67.05490	8.5
69.86308	8.1
69.86646	3.1
70.06580	9.3
71.04990	2.9
75.04464	3.7
77.03922	1.9
78.04681	5.9
79.05476	9.5
81.03389	3.1
81.07056	4.6
85.02882	2.8
89.03905	10.3
91.04919	3.5
91.05474	59.2
93.03396	9.3
93.07028	33.4
95.04963	17.9
95.08590	6.4
97.06526	6.7
97.79428	1.8
102.04675	2.3
103.05463	52.8
105.04496	3.8
105.06999	7.5
106.04157	25.2
107.04955	26.7
107.08573	5.2
108.05726	2.3
109.06511	5.8
111.04412	8.4
115.05410	6.1
116.06212	2.4
117.03386	13.5
117.06983	7.5
117.43919	1.8
118.04113	5.6
119.04943	17.5
119.08546	2.9
120.05722	4.5
120.44917	1.8
121.06493	94.9
121.10087	3.0
123.04408	9.3
123.08020	6.4
125.05988	10.7
130.04115	2.9
131.04936	22.4
131.08507	2.3
133.02835	11.2
133.06451	6.9
134.03648	11.9
134.07265	3.1
135.04390	6.9
135.08037	20.2
135.11644	2.2
136.05170	5.1
137.05972	11.1
138.03105	3.0
138.06749	5.2
139.07585	4.1
145.02826	17.1
145.06461	5.5
146.07246	8.0
147.04402	31.3
147.08044	13.1
148.05165	23.2
149.05960	97.3
149.09589	4.3
150.06381	3.7
151.03894	6.5
151.07524	28.0
152.08247	2.7
153.05447	28.4
153.09064	4.5
154.06177	3.6
159.04359	3.6
159.05530	2.2
161.05911	4.8
162.06744	13.9
163.03918	4.2
163.07510	39.7
165.05457	18.3
166.06245	28.8
167.03427	2.2
167.06911	2.0
168.07796	32.9
173.05981	2.0
176.04677	6.3
177.05460	66.4
177.09036	17.2
178.05949	2.9
178.09879	63.9
179.07005	30.6
179.10413	4.4
180.07587	3.7
181.05092	2.9
181.08577	98.0
182.08905	2.0
191.06989	22.6
193.04982	2.6
194.05713	5.8
194.09373	80.3
201.98474	2.0
209.08101	39.6
209.11702	100.0
209.15311	14.1
210.12303	2.1
226.41559	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1171
Annotation	Coronafacic acid
Peak:m/z	Relative Intensity
50.06928	0.7
51.02382	1.0
53.00309	0.7
53.03938	5.5
55.01868	14.0
55.05505	36.4
57.03429	3.4
57.07060	3.5
59.04984	2.9
61.02921	0.7
65.03933	14.8
66.04293	0.6
67.05498	94.1
68.05843	1.0
68.99798	1.8
69.03423	33.5
69.07057	13.7
69.10307	1.9
69.10723	4.7
70.06586	1.6
71.04983	14.1
75.04476	2.9
77.03917	1.9
78.04708	4.3
79.05484	46.6
80.05777	0.7
80.06280	0.6
81.03397	3.4
81.07047	42.3
82.04216	0.7
82.28332	0.7
83.04972	42.3
83.08614	14.0
85.02898	2.6
85.06537	12.1
87.04465	2.2
89.03909	2.2
91.05468	44.0
92.05789	1.0
93.03396	9.8
93.07035	89.6
94.07360	1.5
95.04958	92.7
95.08593	22.0
97.05940	1.3
97.06519	15.6
97.10166	2.5
99.04449	18.5
99.08086	2.1
101.06023	2.9
103.05458	9.5
105.03409	1.5
105.04517	2.0
105.07019	55.2
106.04163	23.1
106.07317	1.0
107.04949	9.9
107.08581	100.0
108.08913	1.9
109.02863	0.9
109.06509	22.9
109.10141	15.8
111.04424	3.1
111.08074	6.8
113.05992	6.5
115.03954	1.5
115.05445	3.1
116.06212	0.7
117.03351	2.8
117.06999	12.5
118.04107	0.8
119.04935	2.0
119.06079	1.6
119.08567	34.3
120.05711	0.8
121.05582	1.4
121.06495	54.5
121.10129	68.4
122.06787	1.4
122.10474	1.9
123.04420	2.1
123.08057	8.3
123.11704	6.6
124.05180	1.1
125.05973	14.3
125.09618	4.9
127.07581	1.6
129.07022	2.6
130.07785	6.4
131.04903	4.5
131.08560	14.6
133.06487	1.5
133.07512	0.9
133.10117	16.9
134.03627	4.7
135.04375	3.3
135.08037	19.2
135.11676	31.2
137.05957	5.0
137.09615	0.8
138.06772	1.4
139.07567	5.2
139.11134	1.4
143.08562	2.3
145.02815	2.1
145.10107	56.1
146.10448	1.6
147.04439	0.9
147.08034	3.4
147.11671	7.4
148.05159	5.0
148.08839	1.1
149.05960	31.3
149.09596	18.5
149.13203	4.6
151.03859	2.5
151.07530	4.3
151.11162	38.6
152.11447	1.3
153.05469	2.8
153.09082	8.4
153.12675	3.5
155.08501	1.4
158.07262	1.6
158.10921	1.0
159.04362	1.5
161.06021	0.9
161.13263	5.3
163.03842	1.6
163.07503	2.8
163.11160	91.1
163.14796	2.7
164.11528	1.8
165.09128	1.0
165.12750	8.9
166.06250	2.2
167.07043	4.6
167.10612	2.0
167.14291	23.5
168.14716	0.8
173.09607	6.9
173.13200	6.4
175.09781	0.8
176.04565	0.9
177.05466	16.0
178.06073	1.4
179.14392	1.1
181.04967	1.6
181.06462	1.2
181.08588	5.2
181.12173	5.8
191.07031	2.9
191.10663	26.6
191.14288	7.7
194.05714	3.3
209.04300	1.3
209.05916	6.3
209.08083	12.8
209.11717	21.8
209.15312	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	209.1171
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
51.02372	1.1
53.03939	4.1
55.01868	9.1
55.05503	10.5
57.03426	3.9
57.07065	1.8
61.02917	0.8
61.14910	0.8
65.03935	6.6
67.05503	18.0
68.99758	1.3
69.03429	4.6
69.07066	16.3
70.59480	2.2
71.04990	19.3
75.04459	3.1
77.03893	1.7
78.04698	4.8
79.05488	46.9
81.03399	1.5
81.07056	13.3
83.04510	1.0
83.04979	15.1
83.08619	1.6
83.61399	0.7
85.02901	4.1
85.06505	5.0
89.03908	2.0
89.06007	1.3
91.05475	40.5
93.03391	10.9
93.07037	53.6
95.04961	28.5
95.05470	0.5
95.05574	1.1
95.08604	7.6
97.02892	1.0
97.06522	14.7
97.10169	1.6
99.04446	1.6
99.08083	1.8
103.05463	10.0
103.57870	0.9
105.03352	2.1
105.04518	2.4
105.07024	32.3
105.72073	0.8
106.04166	29.3
107.04957	28.8
107.08585	53.6
108.08927	1.1
109.06525	8.5
109.10160	4.7
111.04426	6.4
111.08064	3.2
113.09618	2.6
115.05453	1.8
116.06206	2.0
117.03369	1.6
117.07012	9.1
119.04895	2.1
119.08571	14.6
120.05786	1.0
121.06498	70.5
121.10131	31.6
122.06844	1.4
123.04423	5.7
123.08066	6.4
123.11706	1.2
125.05984	20.3
125.09628	3.0
129.07022	6.3
130.07785	2.2
131.04897	3.7
131.08559	87.1
132.08873	2.3
133.06458	1.8
133.10123	5.8
133.76228	0.9
134.03625	3.9
135.04401	4.2
135.08067	7.8
135.11671	9.7
137.05959	7.4
137.09569	2.5
138.06786	2.2
139.07538	4.9
139.11148	1.7
141.05443	2.0
143.08571	1.4
145.02841	1.2
145.06438	1.9
145.10117	43.7
146.10471	1.4
147.04353	1.1
147.08034	7.0
147.11652	5.9
148.05183	5.2
149.05980	41.9
149.09604	100.0
149.13229	7.9
150.06291	1.6
150.09950	2.7
151.03885	1.3
151.07591	4.8
151.10016	0.9
151.11169	13.8
153.05464	13.6
153.06706	1.2
153.07158	0.8
153.09084	8.2
155.07097	1.4
155.08495	2.1
158.10669	0.9
159.04332	1.0
159.05528	1.0
163.03925	1.2
163.06406	0.9
163.07584	5.6
163.11180	34.3
163.14819	2.9
164.11571	1.3
165.09113	13.4
165.12692	0.9
165.73523	0.7
166.06242	1.1
167.07051	5.9
167.10675	9.6
173.09625	7.0
173.13234	5.3
177.05457	29.5
178.05858	1.5
181.04948	1.1
181.08560	6.7
181.12242	1.1
189.10583	0.9
191.07021	1.9
191.10661	50.0
191.14252	6.8
192.10980	1.2
194.05725	2.9
209.04422	2.0
209.08162	14.9
209.11708	66.3
209.15137	10.5
210.08472	1.0
210.12152	1.7
220.62704	0.8
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	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03933	3.2
55.01860	4.3
55.05521	6.0
57.03424	3.2
60.67020	1.0
65.03922	1.0
66.73239	1.0
67.05505	6.2
69.03438	2.1
69.06702	1.7
69.07067	22.3
69.09418	1.0
69.28608	4.2
69.29028	4.2
71.04993	18.9
77.03893	1.1
78.04679	1.0
79.05493	45.2
81.03435	1.1
81.07046	8.6
83.04980	9.2
91.05475	21.5
93.06440	2.0
93.07042	40.7
95.04978	7.4
97.06528	7.5
101.88350	1.1
103.05517	1.7
104.20777	1.0
105.07028	23.8
107.04955	22.7
107.08593	50.9
108.08911	1.7
109.06502	2.6
111.04449	3.1
115.05451	1.4
116.06215	1.8
117.07028	6.4
119.08569	9.8
121.06509	35.0
121.10149	29.3
123.04411	1.4
123.08040	2.8
125.05984	7.3
129.06981	5.1
130.07755	3.4
131.08565	100.0
132.08885	2.9
133.06506	1.4
135.04404	3.0
135.08008	3.0
135.11688	5.0
139.07555	2.1
141.05377	2.5
143.08559	1.3
145.10126	41.7
147.08040	5.8
147.11674	3.2
149.05971	5.1
149.09616	76.1
150.09976	1.5
151.07549	2.8
153.05479	13.5
153.34689	1.3
163.11183	30.6
167.07030	6.4
167.10675	2.7
173.09610	3.2
191.09000	2.2
191.10669	31.5
191.12415	1.9
201.31650	1.1
209.11723	52.1
209.31851	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1171
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
51.18650	0.8
53.00103	1.0
53.03932	3.4
55.01862	6.2
55.05511	4.7
57.03414	1.8
65.03925	2.6
67.05502	17.9
69.03411	2.8
69.07066	9.4
70.48542	3.2
71.04612	1.3
71.04988	18.6
78.04695	0.9
79.05487	43.7
80.05862	1.0
81.03399	1.9
81.06679	0.8
81.07052	9.0
83.04972	13.2
85.02879	1.7
85.06552	5.6
91.04917	1.7
91.05472	27.4
93.03377	2.6
93.07041	35.0
94.07322	0.9
95.04389	1.3
95.04958	14.8
95.08587	2.2
97.06524	9.9
98.97573	0.9
103.05447	3.5
105.07020	25.1
106.04169	6.0
107.04953	30.7
107.08588	44.2
107.09323	2.3
108.08876	1.1
109.06534	4.9
111.04457	6.7
116.06200	1.4
117.07016	9.0
119.08579	13.5
121.06495	28.2
121.10136	29.7
123.04408	5.9
123.08044	3.1
125.05981	12.7
127.03909	1.0
129.06982	7.6
130.07753	1.8
131.04910	1.4
131.08559	74.7
132.08920	2.4
133.06439	1.8
134.03596	1.7
135.04401	3.2
135.08038	4.3
135.11690	7.9
137.05937	3.6
137.09561	1.4
139.07513	2.9
141.05431	2.7
143.08549	1.3
145.06441	3.9
145.10114	41.2
147.08046	8.2
147.11688	3.4
149.05978	9.8
149.09605	100.0
150.09938	2.7
151.07501	1.7
153.05440	6.4
153.09056	1.2
155.07088	1.2
155.08488	1.5
163.07547	9.7
163.11166	34.8
164.11497	1.3
165.09097	19.3
167.06998	4.3
167.10663	16.3
173.09612	10.1
177.05463	3.5
181.04926	2.3
181.08591	1.4
181.12187	0.9
191.10654	55.1
192.10980	2.1
209.08029	3.2
209.11705	65.1
210.11998	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	209.1172
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
51.02374	0.7
53.03943	4.4
55.01870	8.5
55.05509	21.3
55.42348	0.6
57.03427	3.2
57.07081	4.1
59.04982	0.9
65.03931	3.5
67.05504	25.6
67.05869	1.4
69.03429	14.8
69.07066	18.8
70.64561	1.3
71.04991	19.6
75.04459	1.6
77.03911	1.7
78.04711	1.5
79.05490	49.0
80.05830	0.7
81.03407	2.6
81.07055	34.6
82.07363	0.9
83.04980	25.4
83.08619	4.8
85.02900	2.6
85.06536	11.9
86.03212	0.7
87.04473	1.6
89.03860	0.8
91.05477	37.5
93.03397	4.4
93.07042	63.6
94.07386	1.2
95.04965	21.0
95.08601	26.8
97.06533	18.7
97.10156	0.8
99.04459	6.3
99.08089	6.7
101.06075	0.7
103.05470	6.3
105.04526	1.4
105.07027	40.8
106.04173	9.9
107.04954	26.8
107.08590	100.0
108.08933	1.3
109.02876	1.1
109.06519	17.5
109.10151	18.7
111.04446	7.0
111.08090	4.9
113.06010	1.3
113.09624	1.1
115.05463	2.5
116.06209	1.9
117.03354	1.3
117.07031	9.1
119.04966	1.4
119.06072	1.2
119.08589	20.4
120.08903	0.7
121.06505	41.6
121.10141	51.9
122.06857	0.8
122.10480	1.5
123.04446	3.9
123.08065	16.7
123.11702	4.4
125.05989	13.8
125.09655	4.7
127.07545	1.2
129.06996	7.4
130.07755	2.1
131.04926	3.1
131.08563	78.3
132.08942	1.6
133.06467	1.7
133.07513	0.8
133.10120	35.3
134.03639	2.4
135.04379	2.5
135.08061	15.7
135.11687	11.0
137.05997	2.5
137.09607	5.7
139.07550	4.5
139.11182	10.7
141.05453	1.6
143.08545	2.2
144.09288	0.9
145.02895	0.9
145.06438	3.1
145.10123	42.1
146.10448	1.3
147.08046	9.7
147.11676	11.6
148.05159	3.2
149.05986	18.8
149.09616	95.6
149.13251	34.3
150.09964	1.7
150.13585	0.8
151.07579	1.5
151.11174	30.0
153.05449	6.3
153.09094	7.5
155.08545	1.4
158.10918	2.9
159.04453	1.0
161.13284	1.7
163.03888	1.8
163.07552	8.6
163.11180	31.4
163.14819	12.3
164.11514	1.6
165.09113	15.2
165.12799	0.9
166.06288	0.8
167.07013	5.1
167.10684	13.3
167.14357	2.0
173.09625	7.3
173.13257	22.9
173.14760	1.2
177.05452	10.3
179.14250	0.9
181.08574	2.3
181.12312	0.9
185.18762	0.7
191.10670	46.8
191.14304	26.3
191.15660	0.7
192.10963	1.6
192.14690	0.7
194.05763	2.8
209.04518	1.4
209.08209	10.8
209.11729	55.4
209.15344	32.3
210.12070	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1172
Annotation	3,8-Dihydroxy-1,2,4-trimethoxyxanthone
Peak:m/z	Relative Intensity
53.03942	6.7
55.01653	3.2
55.01871	38.4
55.05502	5.1
57.07068	3.7
63.11596	2.8
65.03932	9.7
67.05484	9.5
68.99735	2.7
69.03412	4.0
69.07045	3.2
69.20377	15.0
69.20800	10.0
70.06593	6.2
71.04999	3.6
75.04459	3.5
78.04709	5.9
78.53220	2.7
78.65893	2.9
79.05482	14.4
81.03368	3.0
81.07039	12.5
83.08594	2.8
85.02895	4.4
88.40529	2.7
89.03899	7.1
89.87573	2.8
91.05476	50.8
93.03384	8.6
93.07039	28.6
95.04985	12.9
95.08591	8.5
97.06527	6.3
103.05460	32.4
103.36727	2.7
105.04520	3.1
105.07015	9.8
106.04169	23.0
106.20679	2.5
107.04970	18.9
107.08561	9.0
109.06488	8.6
109.10176	5.8
111.04409	6.8
115.05450	4.4
117.03360	10.1
117.06962	7.3
119.04929	17.4
119.08542	5.1
120.05698	4.6
121.05605	4.2
121.06494	82.8
121.10146	4.3
123.04407	7.2
123.08044	7.3
123.11751	2.5
125.05980	11.5
131.04942	17.0
131.08516	3.0
133.02869	7.4
133.06477	9.5
134.03592	7.3
135.04431	3.3
135.08018	16.5
136.05153	7.5
137.05957	13.4
138.06755	6.4
139.07521	4.3
145.02823	9.1
145.06503	3.6
145.10216	2.8
146.07201	2.9
147.04384	24.3
147.08041	11.6
148.05145	15.0
149.05972	63.5
149.09555	5.8
149.13310	4.2
151.03943	3.2
151.07545	29.9
151.11224	2.7
153.05499	25.0
153.09065	6.0
159.04390	2.7
161.05948	6.2
162.06723	10.4
163.03874	5.7
163.07513	31.1
163.11157	3.2
164.04736	2.7
164.08160	4.1
165.05463	18.3
166.06264	28.3
167.07100	6.5
168.07825	37.4
177.05467	45.4
177.09059	15.1
178.08453	4.9
178.09892	68.4
179.07028	32.9
179.08446	4.6
179.10446	4.0
181.08592	93.3
191.06998	11.3
191.14058	3.3
194.09377	75.3
209.08099	29.0
209.10150	3.8
209.11700	100.0
209.15083	25.5
210.11925	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	209.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.3
55.01875	3.7
55.05499	4.5
55.69456	1.8
57.07072	3.0
65.03946	4.1
67.05503	5.3
69.03418	5.7
69.07073	6.7
71.01656	3.3
71.04996	2.6
72.60707	1.7
79.05499	11.0
81.07058	20.9
83.04994	2.3
91.05484	20.1
93.07021	10.9
93.59798	1.8
95.04961	6.7
95.08620	6.4
97.06550	3.8
103.05475	4.7
105.07029	12.9
106.04173	7.2
107.04933	4.4
107.08596	40.4
109.06517	14.2
109.10172	12.5
115.05433	3.0
117.07040	7.9
119.08601	4.6
120.59338	1.9
121.06510	12.9
121.10141	20.3
122.07288	8.1
123.08065	6.6
128.30797	2.1
131.04938	2.0
131.08572	6.2
133.10126	100.0
134.10498	3.4
135.08060	20.8
137.09616	78.6
145.10136	4.0
148.05272	2.1
149.05986	9.1
149.09639	5.6
149.13245	17.9
150.43442	2.0
151.11189	5.2
153.05447	2.4
153.08995	2.3
163.11186	2.6
163.14838	2.8
165.12723	4.7
173.13280	4.7
175.53659	1.9
177.04170	2.0
177.05495	11.8
191.14313	3.5
209.07974	4.3
209.09801	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87796	1.0
53.03943	3.0
55.01867	3.0
55.05509	78.5
56.05852	1.5
57.03420	1.4
57.07069	2.3
59.05004	5.7
65.03929	2.5
67.05508	7.3
69.03427	3.9
69.07065	4.4
69.33073	2.9
69.33490	6.1
71.04984	3.5
79.05499	8.7
81.03401	1.4
81.07063	7.5
82.06086	1.9
82.06575	33.8
83.04979	38.9
83.08614	55.9
84.08140	6.8
85.06530	1.7
89.03934	2.4
91.05474	14.1
93.03396	2.4
93.07039	16.1
95.04963	25.3
95.08598	2.4
97.06511	5.3
97.10157	2.4
98.09708	1.6
99.04449	5.1
100.11249	100.0
101.11593	1.6
103.05455	5.0
103.07587	1.5
105.07031	4.6
106.04165	6.3
107.04942	3.9
107.08585	16.7
109.06516	5.8
109.10180	7.8
109.58347	1.3
110.06030	17.2
111.04424	1.2
111.08083	4.3
119.04953	3.3
119.08545	2.8
120.05728	1.7
121.06500	16.8
121.07314	1.6
121.10133	29.8
123.04417	1.2
123.11693	4.2
125.09609	5.0
127.08683	7.9
128.07077	2.8
131.04927	3.4
131.08554	2.1
133.10077	2.1
134.03603	3.3
135.08066	3.2
139.08652	17.4
145.10120	1.8
147.11598	1.3
148.05179	17.0
149.05975	16.2
149.09616	7.8
149.13246	3.1
151.03973	1.2
151.11168	15.3
153.09109	5.0
157.01392	1.2
159.04430	2.1
162.03101	1.2
163.07559	2.6
163.11162	1.9
163.14818	5.1
167.14291	26.8
176.04733	1.6
177.05449	17.4
181.08604	2.1
191.07133	1.5
191.10661	2.6
191.14374	3.4
192.13905	1.2
194.05806	11.4
209.08058	30.0
209.11954	1.6
209.16660	53.9
210.08429	1.6
210.16827	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03933	2.2
55.01865	2.7
55.05507	19.8
57.03427	3.6
57.03681	0.7
57.07067	2.2
59.04991	3.0
65.03944	3.7
67.05505	7.9
69.03426	2.0
69.07058	6.0
69.37660	2.0
69.38079	3.0
70.06573	1.1
71.04983	3.9
72.74033	0.8
75.04467	0.8
77.03901	1.0
78.04697	2.3
79.05489	13.6
81.03368	0.8
81.07053	21.8
81.07535	1.2
82.04171	0.7
82.06573	7.2
83.04982	8.1
83.08617	13.5
84.08135	1.3
85.02910	1.4
85.06530	3.4
89.03934	1.2
91.05475	13.8
93.03398	5.0
93.07040	14.5
95.04963	19.2
95.08598	6.2
97.06522	27.7
98.06860	1.1
99.04446	2.7
100.07587	2.2
100.11249	17.4
103.05479	4.3
103.79498	0.7
105.07027	9.3
106.04157	11.0
107.04961	2.0
107.08587	16.5
108.05726	0.7
108.08942	0.7
109.06509	100.0
109.10156	19.0
110.06040	2.3
110.06843	2.3
111.04416	3.6
111.08076	4.2
113.06025	1.1
117.07001	2.0
119.04929	1.0
119.08574	4.4
121.06499	15.8
121.09235	1.1
121.10130	19.7
122.10513	1.0
123.04426	1.2
123.08076	4.7
123.11703	1.7
125.06007	2.7
125.09660	2.0
127.08623	0.9
131.04944	1.4
131.08543	9.1
133.10120	21.5
133.11133	1.3
134.03645	2.3
135.04367	1.3
135.08052	9.1
135.11696	2.0
137.05962	2.1
137.09567	2.1
138.06725	1.8
139.07581	1.2
139.08652	2.7
139.11195	0.7
143.08591	1.0
145.10178	3.5
147.11685	2.0
148.05206	1.7
149.05980	13.9
149.09625	7.9
149.13235	3.8
151.07489	1.4
151.11159	3.8
153.05530	0.9
153.09099	23.5
154.09489	0.9
158.10890	1.2
159.04376	1.0
163.03969	0.8
163.07562	1.4
163.11205	2.0
163.14818	5.7
167.14314	3.7
173.13239	8.7
177.05457	6.8
178.06117	0.7
178.31854	0.6
181.05049	0.8
181.08582	3.7
182.15399	9.9
187.84546	0.9
191.07063	1.6
191.10651	1.5
191.14287	13.0
194.05762	1.3
209.08110	4.8
209.11714	2.5
209.15134	18.7
210.15027	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	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03934	2.0
55.01876	1.8
55.05514	30.3
55.05782	1.7
57.03429	0.8
57.07076	1.8
57.51587	0.7
59.04997	2.4
65.03936	1.4
67.05509	4.6
69.03483	8.3
69.07066	6.8
71.04986	3.0
78.04709	1.0
79.05494	10.5
81.07055	7.2
83.04984	34.3
83.08620	15.6
85.02908	0.9
85.06558	1.3
91.05481	10.4
93.03416	0.8
93.07046	35.2
95.04971	18.0
95.08609	5.2
97.06538	4.5
97.10179	3.1
99.04456	3.6
103.05451	1.6
105.07043	7.4
106.04158	4.0
107.04996	1.1
107.08601	30.9
109.06517	9.5
109.10156	9.0
111.08080	5.2
113.09615	1.1
115.07555	1.1
119.08586	3.1
121.06501	4.0
121.10150	100.0
122.10466	3.1
123.08023	1.8
123.11694	3.8
125.05967	1.6
125.09605	4.7
131.08582	3.0
133.10139	4.4
134.03633	1.7
135.04472	0.8
135.07133	0.8
135.08095	2.5
135.11693	4.8
145.10121	1.7
147.11649	1.1
149.06013	4.2
149.09627	5.1
149.13280	3.4
151.11177	12.7
153.09073	5.2
163.05576	0.8
163.07697	0.8
163.11189	0.9
163.14816	16.7
164.15170	1.4
167.07057	0.8
167.14331	20.9
167.15706	1.5
173.13251	3.2
177.05428	1.9
181.08600	1.1
191.10713	1.1
191.14319	8.2
209.08092	2.6
209.11824	0.8
209.15370	15.0
210.15620	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.02405	0.9
53.03946	2.3
53.32897	0.7
55.01871	3.4
55.05511	18.4
57.03435	4.6
57.07077	5.7
59.05007	1.5
61.02936	2.3
65.03937	1.8
67.05505	17.4
69.03423	8.9
69.07068	17.1
69.39517	2.7
69.39942	2.4
70.07770	0.7
71.04995	13.0
71.08635	1.1
71.41813	0.8
73.06581	1.3
79.05493	22.1
80.74397	0.7
81.03410	0.9
81.07058	28.8
81.33658	0.7
83.04981	15.8
83.05443	1.2
83.08628	4.3
85.02921	1.4
85.06556	7.5
86.75020	0.8
90.00448	0.7
91.05480	18.7
93.03400	1.2
93.07046	49.4
94.07358	1.0
95.04968	13.5
95.08605	29.6
97.06531	12.8
97.10204	1.0
98.23300	1.2
99.04447	4.3
99.08072	4.4
101.06007	2.1
103.05473	3.4
104.43314	0.8
105.04473	0.9
105.07030	27.4
106.04160	2.7
107.04958	4.9
107.08595	100.0
108.08935	2.0
109.06521	16.9
109.10159	29.6
111.04449	1.6
111.08076	7.7
113.09659	1.8
115.05441	1.0
117.07026	4.2
119.06100	1.7
119.08584	13.8
121.06513	16.4
121.10145	54.3
122.10480	1.1
123.04494	0.7
123.08071	12.9
123.11690	7.8
125.05991	3.1
125.09625	7.6
128.21690	0.7
129.07042	1.0
130.07741	1.4
131.04968	1.0
131.08565	31.0
132.08852	0.8
133.07642	1.7
133.10129	29.9
134.10489	0.9
135.08047	11.9
135.11693	6.7
137.09598	7.8
139.06567	0.7
139.07518	3.7
139.11180	4.5
143.08578	1.3
145.10143	11.1
146.10512	0.8
147.08067	1.1
147.11668	8.4
149.05994	5.4
149.08589	0.7
149.09622	24.6
149.13257	74.9
150.13571	2.0
151.07574	0.9
151.11180	30.7
153.05429	3.9
153.09108	7.0
158.10916	1.9
161.13167	1.2
163.07567	1.0
163.11220	6.7
163.14804	11.8
165.12819	1.6
167.06987	1.9
167.10713	3.6
167.14313	4.4
171.11847	0.7
173.13266	18.2
177.05476	2.9
179.14388	1.1
191.10675	7.3
191.14307	25.8
209.08043	2.9
209.11809	10.4
209.15361	38.1
210.15640	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03943	2.3
55.01867	2.3
55.05514	5.1
57.03434	4.1
57.07065	3.2
59.04996	2.3
65.03943	2.2
67.05505	7.7
69.03420	2.5
69.07072	7.0
70.67490	1.6
71.04988	2.7
75.04480	1.4
77.03960	0.7
78.04718	2.3
79.05491	10.7
81.03420	0.7
81.07056	21.8
81.34435	0.7
83.04982	5.2
83.08643	3.9
85.02885	1.1
85.06537	2.6
91.04930	1.4
91.05473	13.5
93.03397	3.3
93.07043	14.0
95.04345	0.9
95.04963	21.0
95.08595	6.8
97.06533	25.8
97.10213	0.9
99.04460	3.4
99.08050	1.0
103.05457	3.7
105.07029	9.2
106.04175	10.2
107.04948	2.6
107.08588	16.3
109.06517	100.0
109.10155	18.6
110.06870	0.9
111.08073	4.4
114.04333	0.8
115.05437	0.8
117.03416	0.9
117.07008	2.5
119.04917	1.3
119.08566	3.6
120.37878	0.7
121.06506	14.2
121.10139	17.9
123.04422	1.0
123.08050	5.8
123.11699	2.1
125.05997	4.5
125.09631	3.8
131.04930	2.1
131.08566	5.5
133.09171	1.6
133.10126	18.2
134.03639	1.9
134.10455	1.0
135.04408	0.8
135.08047	10.7
135.11691	3.0
137.05957	1.8
137.09642	1.5
139.07536	1.3
143.08542	0.9
145.02907	1.2
145.10072	3.7
147.04471	1.1
147.11668	1.3
148.05214	2.5
149.05974	12.7
149.09633	4.1
149.13255	3.9
151.03894	1.5
151.07553	1.2
151.11201	2.9
153.05507	1.4
153.07867	1.2
153.09100	24.2
158.10954	1.0
159.04439	1.3
162.03163	0.8
163.03880	1.4
163.07541	1.4
163.11192	4.3
163.14835	6.0
165.12791	1.4
166.06270	0.8
167.07028	1.4
167.14354	1.6
173.13245	7.8
177.05484	7.0
181.04950	0.9
181.08644	3.7
191.07060	1.8
191.10646	1.1
191.14296	11.9
194.05786	1.7
209.08127	8.7
209.11749	3.1
209.15369	20.6
210.15730	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03933	1.8
53.62554	0.6
55.05516	3.3
57.07072	2.1
59.05003	1.5
67.05507	5.7
69.03431	13.1
69.07072	5.6
69.37830	4.6
71.04990	2.5
73.75762	0.6
79.05486	3.4
81.03419	11.0
81.07058	10.7
83.04990	3.2
91.05473	3.6
93.07054	4.7
95.04975	7.6
95.08607	13.5
97.06519	1.9
98.09060	0.6
99.08095	1.6
103.05480	0.9
105.07038	5.8
107.08599	12.6
109.06521	12.9
109.10175	3.2
110.07339	0.7
111.08054	0.7
117.07048	1.1
119.08590	5.7
121.06504	2.4
121.10146	16.6
122.10558	0.7
123.08062	13.5
123.11712	7.4
125.09657	1.0
131.08598	1.4
133.10110	3.4
135.08072	2.0
135.11710	1.2
137.09671	3.3
137.13289	2.2
140.28539	0.6
145.10066	1.0
147.11667	4.6
149.09630	10.9
149.13261	8.7
151.11194	12.7
158.10938	1.2
163.14836	1.7
165.12759	100.0
166.13094	3.4
173.13255	2.3
191.14340	5.3
209.08060	1.1
209.15376	35.4
210.15727	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03944	3.3
55.01875	3.7
55.05499	4.5
55.69456	1.8
57.07072	3.0
65.03946	4.1
67.05503	5.3
69.03418	5.7
69.07073	6.7
71.01656	3.3
71.04996	2.6
72.60707	1.7
79.05499	11.0
81.07058	20.9
83.04994	2.3
91.05484	20.1
93.07021	10.9
93.59798	1.8
95.04961	6.7
95.08620	6.4
97.06550	3.8
103.05475	4.7
105.07029	12.9
106.04173	7.2
107.04933	4.4
107.08596	40.4
109.06517	14.2
109.10172	12.5
115.05433	3.0
117.07040	7.9
119.08601	4.6
120.59338	1.9
121.06510	12.9
121.10141	20.3
122.07288	8.1
123.08065	6.6
128.30797	2.1
131.04938	2.0
131.08572	6.2
133.10126	100.0
134.10498	3.4
135.08060	20.8
137.09616	78.6
145.10136	4.0
148.05272	2.1
149.05986	9.1
149.09639	5.6
149.13245	17.9
150.43442	2.0
151.11189	5.2
153.05447	2.4
153.08995	2.3
163.11186	2.6
163.14838	2.8
165.12723	4.7
173.13280	4.7
175.53659	1.9
177.04170	2.0
177.05495	11.8
191.14313	3.5
209.07974	4.3
209.09801	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
52.54473	0.4
53.03936	1.8
55.01864	2.3
55.05505	2.7
55.33860	0.4
57.07061	1.7
57.88867	0.4
59.04992	1.3
65.03927	1.1
67.05499	4.0
69.03056	0.7
69.03426	13.9
69.07064	5.3
70.06583	0.5
71.04983	1.1
79.05500	3.9
81.03412	12.4
81.07049	8.3
83.04987	3.3
83.08604	0.9
85.06549	0.6
89.03916	0.4
91.05468	5.7
93.03392	1.9
93.07040	5.5
95.04408	0.7
95.04965	7.4
95.08601	10.4
97.06522	1.4
99.08070	1.1
103.05450	1.4
105.07026	6.7
106.04165	4.7
107.08588	10.6
109.05756	0.6
109.06508	11.5
109.10126	2.1
110.07318	0.8
111.08052	0.5
111.60765	0.4
119.04911	0.5
119.08568	6.1
121.06523	5.5
121.10142	14.4
122.07260	0.9
123.08065	14.0
123.11694	7.7
125.06017	1.3
125.09615	0.7
131.04878	0.9
131.08510	1.2
133.07599	0.6
133.10130	1.6
134.03577	0.6
135.07986	2.0
135.11684	1.1
137.05998	0.6
137.09630	3.6
137.13181	2.1
144.89732	0.5
145.10039	1.2
147.11642	3.9
149.05978	4.7
149.09612	9.8
149.13251	6.2
151.11168	6.5
153.09087	0.7
161.20552	0.4
163.03816	0.5
163.07579	0.7
163.14838	1.0
165.12744	100.0
166.13078	2.9
173.13277	1.7
177.05492	3.3
181.08601	0.8
191.07002	0.6
191.14297	1.9
197.21391	0.4
209.08095	2.2
209.15358	36.7
210.15686	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.14212	0.6
53.03949	2.5
54.88140	0.7
55.01876	4.4
55.05512	7.0
57.03426	1.2
57.07067	3.1
59.05003	5.2
65.03934	2.7
67.05511	11.3
69.03423	10.0
69.06712	1.4
69.07069	18.2
69.07391	1.3
69.07639	2.5
69.08060	3.9
71.05000	8.6
75.04475	1.7
77.03932	0.9
78.04720	1.7
79.05491	11.9
81.03406	2.0
81.07060	20.1
81.82602	0.6
83.04530	1.1
83.04985	14.1
83.08624	6.0
85.02898	2.2
85.06551	1.1
89.03916	1.5
91.05479	15.8
93.03417	4.1
93.07044	19.7
95.04977	9.0
95.08608	33.2
97.06535	10.2
98.23328	1.7
99.04462	1.8
99.08086	3.4
103.05480	4.5
105.03413	0.9
105.04496	1.1
105.07031	18.9
106.04175	10.7
107.04993	4.5
107.08595	44.6
109.06525	12.3
109.09415	0.6
109.10149	16.4
111.04450	1.4
111.08083	6.6
113.09653	2.1
117.03387	1.1
117.06973	1.2
119.04928	1.7
119.08585	7.9
120.05750	1.8
121.06510	21.6
121.10146	35.8
123.04435	14.7
123.08064	6.5
123.11715	6.7
124.05180	0.9
125.05991	4.0
125.09633	10.7
127.07507	0.8
131.04938	2.1
131.08563	8.6
133.06485	3.4
133.10129	20.3
134.03645	2.1
135.04376	0.8
135.08051	16.5
135.11690	9.5
136.08846	1.2
137.05989	1.7
137.09653	3.6
139.07535	2.2
139.11172	4.9
143.08537	1.4
145.02844	1.0
145.10144	5.8
147.04395	1.2
147.11699	10.9
147.19701	0.7
148.05197	3.2
148.08867	0.9
148.12071	0.7
149.05998	15.1
149.09625	12.8
149.12108	1.4
149.13260	22.3
151.07591	5.9
151.11180	100.0
152.11551	3.1
153.05479	1.7
153.09123	4.6
158.10904	3.4
159.04413	1.1
163.03880	0.8
163.07544	1.4
163.11189	6.1
163.14815	12.1
165.12772	8.2
166.06238	1.2
167.06981	1.3
167.10687	2.1
171.11627	0.8
173.09714	0.8
173.13268	17.8
176.04646	0.8
177.05502	8.8
179.08694	0.7
181.04993	1.3
181.08592	2.6
181.10068	1.3
191.07045	2.5
191.10680	1.5
191.14310	48.2
192.14661	2.2
194.05704	2.7
194.07303	0.8
194.10782	0.8
209.04449	1.4
209.08084	10.6
209.09767	1.6
209.11731	3.6
209.13408	1.8
209.15337	20.8
209.18752	1.0
210.15581	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.01864	5.8
55.05511	8.9
57.03422	3.2
57.07057	7.0
59.05000	3.6
67.05502	13.2
68.38906	3.4
69.03424	15.4
69.07055	17.6
70.06596	6.1
71.04994	9.7
71.30858	5.9
79.05495	12.6
80.41122	3.4
81.07050	19.6
83.04966	19.7
83.08631	6.4
85.06535	4.5
91.05485	14.6
91.47016	3.3
93.06544	3.9
93.07036	21.5
94.59857	3.5
95.04980	5.1
95.08611	33.3
97.06531	11.8
105.07030	13.2
107.04949	3.8
107.08591	47.7
109.06504	17.8
109.10159	15.9
111.04427	3.4
111.08130	5.3
117.07046	4.3
118.60571	3.6
119.08577	3.4
121.06500	11.1
121.10144	40.2
123.08051	9.2
123.11681	4.7
125.06026	3.3
125.09650	13.6
131.08585	9.9
133.10152	17.7
135.08055	17.3
135.11716	7.9
137.09636	4.6
139.07413	3.6
139.11191	7.1
145.10144	9.5
147.11668	5.3
149.05956	4.7
149.09669	11.0
149.13281	25.2
151.11177	100.0
153.05495	7.1
153.09084	10.8
163.07530	4.0
163.14828	12.4
165.06956	6.6
165.12740	6.5
167.08597	5.4
173.13277	19.4
177.05502	3.8
179.08536	14.2
181.10106	5.8
191.06989	23.2
191.14301	41.4
194.11000	19.7
194.12579	4.1
209.08064	12.0
209.09793	7.6
209.11662	7.0
209.13287	29.4
209.15369	55.9
225.64925	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	210.0607
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78471	26.4
54.95729	27.0
55.01868	34.4
55.79190	26.1
59.59193	27.5
70.06589	33.6
70.76797	64.4
70.77153	32.6
85.02917	51.0
111.00831	44.0
123.04392	41.8
127.03909	41.7
129.01802	100.0
137.05995	56.8
139.00201	52.7
147.02873	47.6
157.01401	67.2
187.91669	72.4
205.92758	81.3
210.07645	63.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96289	0.7
53.03935	1.8
55.01844	0.6
65.03937	1.2
70.59708	1.3
70.60040	0.8
78.04704	3.6
79.05499	3.8
81.03387	1.2
81.07030	1.9
91.05475	11.2
93.07045	6.9
94.04150	1.9
95.04951	4.8
103.05450	7.2
105.04527	1.3
105.07027	7.1
106.04158	2.4
107.04935	1.9
109.06492	2.2
118.04141	2.4
119.04951	5.3
121.05683	0.5
121.06486	12.1
122.03606	3.5
123.04422	16.6
123.08031	1.1
124.05184	1.9
124.91383	0.6
133.06500	6.0
134.03586	0.7
135.04387	1.5
135.08035	0.7
137.05968	63.2
138.06305	1.5
147.04414	5.6
147.81665	0.7
149.05966	19.4
150.06691	2.4
151.03860	3.1
151.07541	7.9
152.04655	1.7
153.05450	0.7
161.05922	3.5
163.03935	0.7
165.05408	1.5
165.09076	2.5
166.06216	4.4
167.07024	100.0
168.07401	2.4
178.06273	1.4
179.07007	20.0
180.07655	1.9
181.08578	14.4
181.10075	1.3
193.08592	6.1
210.20087	0.6
211.09608	7.3
225.08939	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0964
Annotation	Sinapyl alcohol
Peak:m/z	Relative Intensity
50.59642	0.4
53.03946	1.3
55.01877	0.5
55.05519	0.8
59.04981	0.6
61.61987	0.5
61.62303	0.5
67.05502	1.7
67.36482	0.5
69.03419	0.5
69.07075	1.5
71.04987	1.4
73.26986	0.6
78.04715	3.9
79.05483	2.4
81.07049	4.8
83.04966	0.8
91.05476	4.3
93.07029	3.2
95.04955	1.9
95.08604	3.3
97.06542	0.8
98.50149	0.5
103.05464	1.5
105.07030	5.4
106.04188	2.5
107.04942	1.4
107.08558	2.2
109.06504	1.6
109.10146	1.6
111.08093	0.6
118.04193	0.9
119.04945	1.3
119.08578	2.1
121.06510	2.9
121.10114	1.1
122.03623	0.6
123.03609	0.9
123.04423	10.3
123.08053	0.9
123.11721	3.4
124.05237	2.6
133.06479	2.1
133.10110	1.6
135.04456	0.5
135.11707	3.3
137.05981	8.2
147.04402	1.1
147.11679	4.6
149.06000	4.2
150.06717	0.5
151.03918	2.6
151.07532	1.9
151.11266	0.6
151.65448	0.5
152.04677	2.6
153.12717	0.7
161.06003	1.5
165.09126	1.1
165.12816	1.2
166.06221	0.7
167.07034	100.0
168.07401	3.1
175.11372	0.5
175.14819	1.4
179.07031	3.9
181.08582	3.3
193.08617	3.5
193.12201	0.7
193.15919	1.0
211.07700	0.8
211.09680	2.0
211.16931	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0965
Annotation	Sinapyl alcohol
Peak:m/z	Relative Intensity
50.73768	0.1
53.03937	0.6
53.86316	0.1
55.01860	0.3
65.03943	0.2
66.04720	0.2
67.05485	0.4
68.99802	0.2
69.36644	0.3
69.37056	0.8
77.03912	0.2
78.04707	4.0
79.05080	0.2
79.05492	1.9
79.25302	0.1
81.03378	0.3
81.07058	0.4
83.04984	0.3
85.02885	0.2
91.05477	2.4
93.03412	0.2
93.07037	1.2
94.04174	0.4
95.04962	1.1
96.05740	0.3
97.52086	0.2
103.05460	1.4
105.03352	0.3
105.04521	0.3
105.07023	1.9
106.04170	2.5
107.04979	1.1
109.02863	0.4
109.06499	0.4
109.14880	0.2
110.03635	0.1
111.04411	0.2
115.05441	0.2
118.04145	0.4
119.04916	0.8
120.02013	0.3
121.05699	0.2
121.06506	2.3
122.03638	0.8
123.04424	10.6
124.05212	3.0
133.06480	1.4
134.03616	0.8
135.04367	0.4
137.05977	5.6
138.06297	0.1
146.28181	0.2
147.04361	0.5
149.02257	0.2
149.05968	2.9
149.61334	0.1
150.03128	0.2
151.03897	1.7
151.07506	1.0
152.04691	2.5
154.06238	0.2
155.00873	0.2
161.05942	0.9
165.05498	0.2
165.09108	0.4
166.06209	0.7
167.07025	100.0
168.04221	0.3
168.05853	0.2
168.07358	2.9
179.07010	1.9
181.08583	2.8
193.08589	2.1
196.04919	0.1
197.76871	0.2
211.07616	0.4
211.09642	1.0
218.70012	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0963
Annotation	Sinapyl alcohol
Peak:m/z	Relative Intensity
53.03939	0.6
56.62698	0.2
65.03936	0.3
66.90329	0.2
68.15878	0.2
73.30933	0.2
78.04709	3.5
78.97106	0.2
79.05474	1.3
81.03413	0.2
81.07065	0.3
91.05468	1.5
93.07046	1.3
94.04239	0.3
95.04950	0.8
103.05455	1.2
105.03430	0.3
105.04544	0.4
105.07046	1.2
106.04169	2.4
107.04915	1.1
109.02839	0.3
109.06453	0.2
118.04140	0.3
118.34757	0.2
119.04958	0.3
121.06519	1.8
122.03643	0.4
123.04424	8.7
124.05223	2.7
133.06479	0.7
134.03648	0.5
135.04433	0.4
136.52309	0.3
137.05939	1.3
149.05978	3.1
151.03889	2.1
152.04695	2.2
161.05971	1.0
165.89934	0.2
166.06245	0.4
167.07027	100.0
168.07375	2.8
179.07031	0.5
181.08591	2.7
193.08594	1.7
211.09734	0.5
229.16025	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0962
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
51.02144	0.5
53.03934	2.0
55.01859	2.0
55.05513	0.6
55.52869	0.6
57.03429	0.8
65.03941	1.6
66.04717	0.6
67.05492	3.9
68.80858	0.5
68.99775	0.8
69.03416	0.9
70.66158	1.5
78.04712	0.7
79.05486	9.7
80.06244	0.8
81.03397	1.0
81.07034	0.8
83.04950	0.9
84.03407	0.5
85.02910	0.8
90.48991	0.5
91.05476	9.3
93.07019	2.3
94.04182	0.9
95.04956	7.5
95.08584	2.8
97.06538	0.6
103.05449	5.9
105.03397	1.0
105.04545	0.7
105.07018	20.4
107.04947	3.2
107.08572	0.9
108.05726	2.0
109.02873	2.2
109.06493	1.9
109.10150	2.3
110.03678	2.5
114.79230	0.6
115.05466	1.9
118.04156	6.1
119.04939	9.0
120.05723	0.7
121.02851	1.6
121.06490	3.8
122.07275	1.5
123.04417	52.8
123.08048	5.4
124.05161	1.7
133.06482	16.7
134.03534	0.5
134.07248	0.8
135.04391	2.3
135.08025	2.1
135.11653	1.8
136.05171	1.7
137.05956	6.5
146.03647	1.3
147.04388	5.9
149.05972	3.9
150.06740	9.2
151.03941	4.1
151.07527	28.8
152.04633	1.1
161.05934	2.5
161.07097	1.7
163.07425	0.8
165.09106	9.4
167.07021	30.6
178.06233	1.4
179.07011	100.0
180.07335	3.2
181.08580	1.7
193.08592	24.6
194.08960	0.7
195.67122	0.5
197.87369	0.6
211.09627	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	211.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51159	0.6
53.03928	1.7
55.01859	2.1
57.03423	1.4
59.29831	0.6
59.43845	0.5
65.03922	1.7
66.04710	0.9
67.05207	0.5
67.05497	4.4
68.99783	0.9
70.63905	1.7
78.04695	2.0
79.05488	10.2
81.03391	0.8
81.07040	1.8
83.04942	0.6
87.19060	0.5
90.04695	1.1
91.05471	13.4
93.03375	1.1
93.07040	2.3
94.16948	0.6
95.04961	7.8
95.08591	2.0
97.06568	0.6
103.05456	6.9
105.03391	0.9
105.04509	0.9
105.07027	21.2
106.04159	1.6
107.04974	3.5
108.05710	2.2
109.02863	1.9
109.06503	1.8
110.03657	2.1
111.04437	1.0
111.21307	0.6
115.05436	2.5
118.04146	7.0
119.04945	10.0
120.05714	1.3
121.02827	1.7
121.06472	5.2
122.03622	1.3
122.07283	2.2
123.04419	53.9
123.08051	5.0
124.05265	1.3
125.06004	0.8
131.04893	1.1
133.06470	14.6
134.07285	1.1
135.04404	2.9
135.08038	2.5
136.05179	1.7
137.05974	13.3
137.09610	0.7
144.21622	0.6
146.03581	1.5
147.04385	6.2
149.05948	5.7
150.06720	8.9
151.02769	0.7
151.03819	2.8
151.07529	30.9
152.04678	0.9
152.07901	0.9
153.05475	0.7
157.10287	0.6
161.05930	1.7
161.07101	2.0
165.05490	0.8
165.09105	8.1
166.06326	0.6
167.07025	43.8
168.07416	1.0
178.06181	1.6
179.07014	100.0
180.07468	2.6
181.08582	3.8
193.08575	24.4
194.08955	0.7
196.30469	0.7
205.99057	0.6
211.07634	0.8
211.09631	14.2
212.09975	0.8
226.21454	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74261	0.2
53.03939	0.9
56.37244	0.2
56.38009	0.2
65.03915	0.4
67.05492	0.3
68.34044	0.2
70.47714	0.7
76.21501	0.2
78.04704	4.2
79.05482	1.8
81.03440	0.3
81.07048	0.3
91.05468	2.3
93.03383	0.3
93.07052	1.6
94.04184	0.4
95.04987	1.0
96.05743	0.4
100.31448	0.2
103.05450	1.3
105.03384	0.5
105.04478	0.4
105.07022	1.6
106.04179	2.7
107.04955	1.0
107.76651	0.2
109.02877	0.3
109.06493	0.4
115.05418	0.2
119.04916	0.5
121.06503	2.3
122.03628	0.7
123.04429	10.3
124.04559	0.2
124.05229	2.7
127.29605	0.2
133.06467	1.0
134.03647	0.9
135.04465	0.3
137.05960	3.4
149.05960	3.7
151.03911	2.0
151.07550	0.6
152.04660	2.5
161.05975	1.2
166.06232	0.8
167.07028	100.0
168.04199	0.3
168.05968	0.4
168.07343	2.4
179.07051	1.9
180.07835	0.4
181.08595	3.0
193.08585	2.4
211.07704	0.3
211.09691	0.8
214.75273	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0964
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
53.00336	0.6
53.03936	2.1
55.01865	2.3
55.05507	0.5
57.03436	1.0
59.40036	0.5
65.03939	1.4
66.04710	1.2
67.05500	2.9
68.99786	0.9
69.03431	0.5
70.95226	1.2
77.03890	0.6
78.04700	1.9
79.05489	12.0
81.03407	1.1
81.07059	1.5
84.24335	0.5
85.02876	0.7
89.71237	0.5
90.04680	0.8
91.05470	15.3
92.06237	0.7
93.03410	1.2
93.07040	3.0
94.04173	1.7
95.04959	6.3
95.08604	1.5
97.06527	0.8
103.05454	9.2
103.06097	0.8
104.06266	0.8
105.03378	1.2
105.04521	0.8
105.07021	22.1
106.04150	0.8
107.04948	5.0
108.05738	1.7
109.02855	0.9
109.06512	4.7
110.03638	1.5
115.05463	2.7
118.04150	9.0
119.04215	0.4
119.04930	11.3
120.05720	2.1
121.02863	1.3
121.03803	0.5
121.06491	6.7
122.03658	5.9
122.07267	1.9
123.04420	36.9
123.08032	4.7
124.05205	1.2
125.05938	0.8
131.04958	1.1
132.05746	0.7
133.06480	19.5
134.07187	0.7
135.04433	4.8
135.08058	3.1
136.05183	1.6
137.05966	100.0
138.06296	2.1
139.03877	0.7
146.03616	1.4
147.04398	12.1
148.05112	1.2
149.05974	7.8
150.06752	9.9
151.03903	2.7
151.07532	29.0
152.04665	1.3
153.05473	2.6
154.06210	0.7
157.47136	0.5
161.05940	2.9
161.07108	1.4
163.03851	1.6
163.57158	0.6
165.05406	0.8
165.09111	11.1
166.06256	1.6
167.07028	27.8
168.07504	1.0
169.10083	0.6
177.05453	0.6
178.06232	2.3
179.07019	69.9
180.07494	2.4
181.08575	4.4
193.08578	25.0
194.08945	1.3
211.07663	1.4
211.09634	17.4
212.09930	0.7
224.40312	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0966
Annotation	Sinapyl alcohol
Peak:m/z	Relative Intensity
53.03935	6.3
55.01873	5.5
55.05517	10.6
57.03438	21.4
57.07075	10.1
59.04988	2.2
60.21272	1.0
61.94415	1.2
65.03931	3.6
66.53218	1.1
67.01855	2.6
67.05502	18.2
68.99772	3.7
69.03423	8.0
69.07066	8.4
69.50935	1.1
71.01344	1.1
71.04994	31.9
71.31615	1.6
77.03915	1.7
78.04703	3.8
79.05492	17.9
81.03415	10.7
81.07054	22.6
83.01330	5.6
83.04984	9.9
83.08599	7.3
85.02901	1.9
85.06539	11.3
91.04954	1.9
91.05480	30.4
93.07043	17.3
95.04974	19.7
95.08606	16.9
97.06517	4.9
97.10178	2.7
99.04453	3.1
99.08067	2.9
103.05459	11.8
105.03384	2.5
105.06367	1.5
105.07031	25.6
106.04172	2.3
107.04984	6.4
107.08607	9.5
108.05704	1.8
109.02863	4.2
109.06512	10.8
109.10160	17.1
111.04440	2.7
111.08059	4.5
113.06007	15.0
115.05467	2.0
118.04144	8.6
119.04947	9.7
119.08575	9.6
120.05706	1.9
121.06511	19.9
121.10110	3.9
122.03627	2.7
122.07257	2.2
123.04430	69.9
123.08051	11.3
123.11711	10.0
124.05255	5.5
125.09611	15.2
127.03928	12.0
127.07561	2.3
127.11145	1.2
129.06970	3.7
131.08585	2.1
133.06482	16.2
133.10106	6.1
135.04402	3.2
135.07991	2.7
135.11671	5.5
137.05983	50.3
137.09615	4.8
137.13239	2.0
139.03903	24.6
139.07460	1.7
139.11176	4.0
141.12747	1.3
146.03645	2.4
147.04379	5.3
147.07997	4.7
147.11690	3.9
148.05069	1.5
149.05977	22.8
149.09634	2.0
150.06754	11.1
151.03900	35.4
151.07530	18.8
151.11159	3.3
151.14799	1.7
152.04582	3.0
152.07974	1.7
153.01799	4.7
153.05414	5.6
153.06805	1.8
155.03384	94.7
155.07051	2.1
155.08505	2.8
156.03687	2.3
157.10086	2.0
160.05199	1.9
161.05933	4.5
161.07140	1.7
163.03806	1.4
165.05470	5.7
165.06950	2.4
165.09105	28.4
165.12793	1.4
165.16545	1.3
166.06206	4.2
167.07042	83.8
167.10652	2.4
168.05722	2.1
168.07384	2.6
168.09317	2.3
169.04993	7.7
169.08681	1.4
169.10112	2.6
175.07542	10.2
175.11131	2.2
175.14824	2.8
178.06221	6.4
178.07724	2.2
179.07031	53.2
180.07593	2.6
181.08611	17.6
181.10120	2.4
183.08031	2.4
183.11623	3.0
192.58154	1.1
193.08606	79.3
193.12181	5.5
193.15881	3.0
194.08920	1.6
196.08846	1.8
211.07523	8.1
211.09618	100.0
211.14806	6.5
211.16905	4.1
212.09964	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	211.0964
Annotation	Sinapyl alcohol
Peak:m/z	Relative Intensity
53.03935	0.5
55.01871	0.5
55.05499	0.5
57.03425	0.7
62.75361	0.3
65.03932	0.3
67.05491	0.6
69.03393	0.3
70.63231	0.3
70.63548	0.6
78.02793	0.3
78.04693	0.9
79.05488	2.4
80.45626	0.2
81.03401	0.9
81.07053	1.9
83.04977	0.4
83.08628	0.5
91.05473	5.0
93.07032	0.9
93.97668	0.3
94.04184	1.1
95.04973	1.5
95.08617	0.5
103.05457	1.0
105.07015	3.8
106.04166	0.3
107.04948	1.6
109.06518	2.8
109.10196	0.3
111.04444	0.4
113.43090	0.2
115.05446	0.7
118.04115	0.4
119.04930	4.2
119.08603	0.3
121.06483	1.6
122.03635	5.8
123.04444	2.0
123.08054	0.8
123.11685	0.5
124.05205	0.6
133.06476	2.4
133.10143	0.3
135.04379	0.5
135.08028	0.3
137.05966	100.0
138.06300	2.4
139.03868	0.4
139.07530	0.9
147.04396	7.8
147.11682	0.5
149.05972	2.1
150.06593	0.3
151.03906	0.6
151.07527	4.9
152.04697	0.4
153.05441	2.4
154.06232	1.3
157.85527	0.3
161.05994	1.0
163.03928	1.2
165.05547	0.4
165.09084	0.6
167.07037	14.0
167.08466	0.7
168.07498	0.6
169.10159	0.4
178.06248	0.9
179.05553	0.6
179.07031	7.9
181.08655	0.9
193.08492	1.4
193.12314	0.3
211.09621	7.2
211.14905	0.4
230.35941	0.3
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	Unknow
Peak:m/z	Relative Intensity
51.02358	0.3
53.03936	0.9
55.01871	0.4
55.05507	0.2
57.03459	0.2
64.38126	0.2
65.03940	0.5
67.01844	0.4
67.05495	0.3
68.99775	0.5
71.04979	0.2
78.04707	3.9
79.05487	1.9
81.03414	0.3
81.07062	0.5
83.04939	0.3
85.02901	1.3
91.05476	4.4
93.03417	0.3
93.07046	2.3
94.04186	0.6
95.04958	1.5
96.05695	0.3
103.05463	2.7
105.04472	0.3
105.07024	2.1
106.04187	2.4
107.04955	1.4
109.02914	1.1
109.06507	1.0
111.04443	0.3
113.05105	0.2
115.05442	0.3
118.98123	0.2
119.04958	1.4
120.50846	0.2
121.06496	3.6
122.03661	1.5
122.06850	0.3
122.80549	0.3
123.04427	8.9
124.05237	2.4
125.06033	0.3
127.03887	0.3
131.05025	0.2
133.02763	0.2
133.06511	1.5
134.03622	0.6
135.04436	0.5
137.05974	25.0
138.06279	0.3
145.20531	0.2
147.04404	2.8
149.05978	6.3
150.06461	0.4
151.03908	4.8
151.07520	1.0
152.04666	2.2
153.05428	0.9
154.06216	0.4
161.05995	1.2
163.03935	0.4
165.05463	1.8
166.06290	1.6
167.07033	100.0
168.07361	2.4
169.05034	0.3
175.03944	0.5
178.06195	0.2
179.07069	1.4
180.07808	0.5
181.08592	5.3
193.04959	6.2
193.08598	1.7
196.08807	0.3
202.09929	0.3
211.05983	2.2
211.09561	2.3
211.11273	0.4
228.82030	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0964
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
53.03965	2.0
55.01870	3.3
55.05524	1.3
57.03466	1.6
57.07100	0.7
65.03973	2.1
66.04747	1.3
67.05500	7.3
68.99825	1.6
69.03474	0.8
69.04755	2.0
69.05167	3.4
69.07082	0.9
71.05012	1.3
75.04491	0.6
77.03944	0.8
78.04727	1.1
79.05493	14.2
79.05936	0.7
81.03443	0.9
81.07083	2.3
83.01350	1.5
83.04999	1.6
83.08637	0.6
85.02914	0.5
85.06559	1.4
90.04701	1.0
91.05478	15.6
92.05795	0.7
92.06303	1.1
93.03399	0.7
93.07035	4.4
94.04189	0.7
95.04963	10.1
95.08618	5.2
97.06556	1.3
98.22589	1.0
103.05466	10.0
103.06101	0.7
104.06264	0.7
105.03429	0.8
105.07028	27.7
106.04156	1.3
106.07391	1.2
107.04957	5.7
107.08600	1.6
108.05762	2.0
109.02912	0.8
109.06521	4.0
109.10166	2.7
109.53526	0.5
110.03689	2.0
111.04478	1.5
113.06007	3.1
115.05500	2.4
118.04160	10.5
119.04951	9.9
119.08610	1.6
120.05762	2.7
121.02884	1.6
121.06522	6.0
121.10152	0.7
122.03661	1.2
122.07315	1.9
123.04427	52.2
123.08070	7.0
123.11727	1.0
124.05237	1.8
125.09667	0.9
129.07014	0.7
131.04956	0.9
132.05733	1.1
133.06488	21.0
133.10100	1.4
134.07295	0.9
135.04428	5.1
135.08070	3.1
135.11722	2.0
136.05191	1.8
137.05965	10.9
139.11189	0.7
146.03639	1.7
147.04408	6.6
147.08020	0.8
148.05206	1.5
149.05978	7.6
150.06758	14.2
151.03931	3.7
151.07542	31.9
151.11218	0.6
152.04694	0.9
152.07872	0.6
155.07112	0.6
161.05927	2.7
161.07147	2.3
163.07500	0.6
165.05650	0.7
165.07011	1.0
165.09116	18.4
167.07030	22.2
175.07555	2.7
175.14861	0.7
178.06233	2.3
179.07030	100.0
180.06009	0.6
180.07339	3.8
181.08571	2.0
193.08606	42.2
193.15869	0.7
194.08922	1.8
211.07689	1.3
211.09636	18.5
211.16956	0.8
212.09856	0.7
216.15204	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0965
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
51.30796	0.2
53.03936	0.8
55.01867	0.7
55.05500	0.7
57.03431	0.4
60.95254	0.2
65.03928	1.3
67.05502	1.5
68.99776	1.2
69.03417	0.5
69.07070	0.3
69.32888	0.4
69.33300	1.4
71.05007	0.4
72.87587	0.2
73.21403	0.2
79.05486	1.7
81.03412	1.7
81.07047	1.0
83.04967	0.8
85.02898	0.5
86.92789	0.2
91.05479	9.9
93.03390	0.4
93.07040	1.2
95.04972	2.3
95.08577	1.2
103.05447	1.0
105.07032	2.1
107.04969	0.6
107.08563	0.3
108.05730	0.7
109.02865	2.3
109.06503	1.1
109.10117	0.4
110.03645	1.5
111.04451	0.3
112.01570	0.8
113.06017	0.5
115.05389	0.3
118.04132	0.6
119.04939	15.4
119.08557	0.3
120.05260	0.4
121.02862	0.8
121.06490	0.9
122.03630	0.5
123.04427	12.9
123.08069	2.2
123.29798	0.2
125.02350	0.3
127.03910	12.6
128.04216	0.4
129.07057	0.3
133.06476	2.5
136.05200	2.7
137.05974	9.1
139.03873	0.3
140.04672	0.8
141.05486	0.5
147.04399	15.3
148.05116	0.9
149.05931	0.5
151.03891	1.6
151.07530	10.6
151.08754	0.5
155.03383	34.5
155.08545	0.4
156.03740	0.5
161.05981	1.5
161.07126	0.6
163.03914	0.3
164.04672	0.8
165.09111	0.4
167.07045	2.3
167.08392	0.4
169.04924	0.8
169.10077	0.7
170.05734	100.0
171.06062	2.1
179.07027	37.4
180.07396	1.0
181.08615	0.4
183.06540	0.4
183.11693	0.5
193.08586	0.9
193.12250	0.3
196.10947	0.5
196.12524	0.3
211.09564	2.7
211.11308	0.4
211.12971	1.9
211.14870	1.0
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	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
51.02409	0.2
53.03938	0.4
55.01863	0.3
55.05494	0.6
57.03429	0.4
65.03915	0.5
67.05504	0.7
77.03908	0.3
79.05497	1.6
81.03415	0.6
81.07056	1.3
83.01299	0.3
83.04981	0.3
83.08612	0.3
86.18799	0.2
91.05483	4.1
93.07055	0.4
94.04202	1.5
95.04955	0.9
103.05456	0.4
105.04532	0.2
105.07027	3.1
107.04983	1.0
108.05753	0.2
109.06522	2.8
111.08022	0.2
113.05984	0.7
115.05450	0.6
119.04939	4.1
119.08625	0.4
121.06492	0.8
122.03651	5.3
123.04398	0.3
123.08064	0.7
131.08575	0.3
133.06508	2.1
135.04410	0.3
136.05313	0.2
137.05972	100.0
138.06300	2.2
139.03882	0.5
147.04407	6.9
148.04756	0.3
149.05965	0.6
151.03993	0.3
151.07538	5.5
153.05470	2.8
154.06238	1.2
155.08575	0.4
161.05984	0.8
163.03946	1.3
165.05486	0.2
165.09111	0.9
170.05762	0.3
175.07430	0.3
178.06250	1.2
178.89799	0.2
179.07039	6.0
180.07420	0.3
181.08546	0.3
181.10089	0.2
193.08578	1.7
196.10922	0.3
196.12576	0.3
211.07521	0.7
211.09590	6.8
211.13206	1.1
211.14893	1.0
212.09900	0.3
225.82303	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0964
Annotation	Sinapyl alcohol
Peak:m/z	Relative Intensity
53.03942	0.4
55.01874	0.3
57.03426	0.5
66.75464	0.3
67.05509	0.3
69.07050	0.3
70.58924	0.6
71.04983	0.4
72.48616	0.3
75.87349	0.3
79.05490	1.4
81.07048	1.0
91.05479	4.7
91.28117	0.3
93.07036	0.5
94.04177	1.6
95.04954	1.0
96.55360	0.2
103.05457	0.9
105.07028	3.0
107.04932	0.7
109.06523	2.6
115.05444	0.4
115.44464	0.3
118.80092	0.3
119.04945	4.7
119.08597	0.3
121.06505	1.3
122.03639	4.9
122.97144	0.3
123.04401	0.5
123.08067	0.5
126.01046	0.5
130.26714	0.2
133.06490	2.0
135.04417	0.3
136.05211	0.5
137.05971	100.0
138.06314	2.6
139.03900	0.6
145.96617	0.3
147.04401	7.9
149.05998	0.8
151.03889	0.6
151.07549	4.6
153.05478	2.7
154.06239	1.0
161.05986	0.9
163.03882	0.9
163.97745	0.7
165.05460	0.6
165.09068	0.5
167.06981	1.5
178.06148	1.5
179.07028	6.2
181.08591	0.8
181.98785	0.3
193.04875	0.7
193.08551	0.8
198.42847	0.3
200.03587	0.3
205.98781	1.1
211.05763	5.8
211.07483	0.6
211.09564	7.0
211.14795	0.3
212.23143	0.2
222.21700	0.3
222.89983	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0963
Annotation	Sinapyl alcohol
Peak:m/z	Relative Intensity
53.03923	0.4
54.42646	0.3
55.01851	0.4
55.05511	0.4
57.03433	0.6
59.09595	0.3
65.03922	0.6
67.05477	0.4
71.05009	0.4
71.31408	0.3
77.03914	0.3
78.04665	0.3
79.05473	1.8
81.07038	1.2
84.05667	0.3
85.02898	0.6
85.06512	0.4
91.05473	4.6
93.07033	0.9
94.04176	1.7
95.04964	2.0
95.08606	0.4
97.02878	0.4
103.05483	0.7
105.07021	3.1
106.60353	0.3
107.04947	1.0
109.02918	0.4
109.06506	2.8
109.10139	0.5
111.04399	0.3
115.05444	0.5
119.04935	4.5
121.06497	1.4
121.36201	0.3
122.03644	5.7
123.04412	1.0
123.08009	0.6
125.06001	0.3
126.01038	1.1
133.06496	2.4
135.04419	0.4
136.05215	0.4
137.05966	100.0
138.06279	2.4
139.03912	0.5
140.04622	0.3
145.96669	0.5
147.04398	8.4
149.05959	2.0
151.03888	1.5
151.07538	4.1
152.08047	0.3
153.05484	3.3
154.06239	1.2
161.05986	1.1
163.03891	1.4
163.97690	0.9
164.04594	0.4
165.05464	1.2
167.07034	4.3
178.06256	0.9
179.03426	0.6
179.07022	5.5
181.08578	1.4
181.98804	0.4
193.04945	2.9
193.08575	0.9
193.10098	0.4
205.98737	1.4
211.05992	1.1
211.07567	1.1
211.09540	6.4
211.11296	0.5
212.09213	0.5
218.33853	0.3
221.31383	0.4
228.97992	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0965
Annotation	Sinapyl alcohol
Peak:m/z	Relative Intensity
53.03932	0.6
56.83949	0.2
60.56722	0.2
69.80555	1.1
77.03934	0.3
78.04712	3.3
79.05489	1.4
81.03395	0.3
91.05470	2.4
93.07035	1.8
95.04951	1.1
98.23349	0.3
103.05457	2.3
105.03373	0.4
105.04524	0.3
105.07027	1.3
106.04182	2.7
107.04970	1.2
109.02916	0.3
111.08077	0.3
119.04945	0.3
121.06523	4.2
122.03645	0.7
123.04430	8.4
124.05237	2.2
133.06506	1.5
134.03625	0.6
137.06020	1.8
149.05977	6.0
151.03917	2.3
152.04652	2.0
161.05969	1.2
165.05486	0.4
165.09073	0.3
166.06303	1.5
167.07034	100.0
168.07355	1.9
180.07825	0.3
181.08598	6.1
193.08615	1.8
208.08405	0.2
211.09570	0.7
211.11348	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0963
Annotation	Sinapyl alcohol
Peak:m/z	Relative Intensity
52.79520	1.0
53.03945	4.4
55.01867	4.5
55.05509	9.1
57.03432	4.7
57.07072	3.0
59.79692	1.0
65.03946	3.3
67.05500	20.5
68.99792	2.1
69.03456	2.3
69.07065	19.7
69.21681	7.0
69.22094	3.2
71.04992	11.8
71.05344	1.5
77.89965	1.1
78.04704	2.3
79.05483	19.9
81.03410	10.1
81.07051	32.0
83.01331	11.9
83.04987	10.4
83.08627	2.8
85.02908	2.7
85.06544	9.2
91.05475	34.1
93.07040	30.2
94.04191	2.4
95.04964	31.3
95.08597	16.9
97.06525	15.6
99.04445	5.6
101.11102	1.3
103.05483	7.9
105.03448	1.0
105.04444	1.1
105.07027	47.2
105.40562	1.3
106.04162	1.6
106.07354	1.6
107.04951	7.4
107.08587	20.0
108.05753	1.7
108.58637	1.2
109.02855	1.6
109.06508	22.2
109.07198	1.9
109.10164	5.5
110.03645	1.2
111.04449	3.3
111.08074	10.1
113.05997	36.7
115.05468	2.4
117.07005	2.8
118.04163	2.5
119.04924	9.4
119.06081	1.7
119.08572	15.0
121.02869	1.4
121.06507	10.2
121.10151	5.1
122.03615	5.3
122.07307	1.7
123.04424	30.5
123.08044	11.3
123.11701	9.8
124.05206	1.3
125.06013	3.1
125.09644	3.4
127.07540	3.5
129.07021	4.3
131.08571	4.2
133.06491	13.4
133.10117	48.9
134.10411	1.2
135.04405	3.1
135.08095	6.2
135.11684	2.5
137.05969	100.0
137.09570	2.6
138.06297	2.5
139.07585	1.5
141.05492	3.5
142.07790	1.6
146.03665	1.4
147.04395	7.7
147.08052	5.7
147.11668	24.9
149.05951	10.1
149.09647	3.0
149.13278	1.6
150.06766	8.3
151.03918	14.8
151.05003	2.2
151.06346	1.6
151.07532	28.4
151.08670	1.8
151.11166	27.6
152.04665	2.7
153.05470	4.6
153.09074	1.5
155.07042	7.7
155.08543	3.9
157.10135	4.0
160.05278	2.2
161.05998	4.2
163.03957	2.0
163.07533	1.1
165.05467	2.4
165.06956	2.1
165.09106	45.9
165.12738	10.0
167.07031	43.9
168.07414	2.0
169.04854	2.2
169.08667	2.8
169.10129	2.4
169.12201	8.7
175.07539	19.1
175.11172	11.6
178.06248	8.5
179.03482	6.4
179.07016	49.4
179.08603	2.4
181.08551	5.6
193.08586	90.7
193.12204	15.6
194.08928	1.8
205.98767	1.9
211.05888	7.1
211.07674	4.0
211.09628	36.0
211.13142	13.1
211.14932	2.0
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	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
51.02376	1.2
53.03936	1.1
55.01867	2.8
57.50021	1.2
59.12090	0.9
60.73042	1.1
60.76715	1.1
60.84890	0.9
63.44430	1.0
65.03934	2.0
67.05493	4.6
69.71432	5.6
79.05503	10.4
80.61263	1.1
81.07050	2.1
88.62459	1.0
91.05487	14.3
93.03387	1.4
93.07034	1.7
94.04198	1.3
95.04955	8.3
95.08607	1.8
96.22509	1.1
103.05463	7.9
103.78584	1.0
105.07029	19.5
107.04981	5.2
108.05737	1.7
109.06512	4.5
110.03660	3.0
111.04337	1.2
115.05472	1.7
118.04179	7.0
119.04938	10.4
120.05766	1.3
121.02879	1.3
121.06497	4.5
122.03641	4.1
123.04427	51.7
123.08075	6.6
124.05131	0.9
125.06027	1.1
127.07558	1.5
133.06494	15.1
135.04376	2.8
135.08028	2.3
137.05975	62.7
138.06279	1.8
146.03580	2.1
147.04391	9.5
149.05989	7.2
150.06773	6.9
151.03903	3.6
151.07547	27.9
152.07883	1.4
153.05486	1.9
161.05923	1.8
161.07091	1.4
165.09137	9.1
167.05705	2.0
167.07043	25.3
175.14899	1.1
179.07030	100.0
180.07381	1.7
181.08632	1.9
193.08597	22.9
211.07677	1.6
211.09647	18.9
211.11581	1.5
211.17108	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	211.0964
Annotation	(+)-3-Hydroxy-5-(p-hydroxyphenyl)pentanoic acid
Peak:m/z	Relative Intensity
53.03945	2.1
53.13448	0.3
55.01868	0.7
55.05510	2.8
57.03433	2.1
57.07089	0.8
65.03944	0.5
65.06285	0.3
67.05503	6.0
68.99806	1.2
69.03442	1.0
69.07059	1.6
71.04988	3.7
71.31812	0.6
79.05500	2.5
81.03419	2.7
81.07057	3.1
83.01338	12.0
83.04981	2.3
83.08630	0.9
85.06538	5.0
87.15679	0.3
91.05477	5.3
93.07034	1.8
95.04964	8.4
95.08604	3.2
97.06549	0.5
97.10181	0.7
99.04452	0.8
99.08084	0.4
103.05451	0.4
105.07011	2.7
107.04968	1.3
107.08611	1.1
109.06518	6.7
109.07215	0.4
109.10145	2.0
111.04467	0.4
111.08098	1.0
113.05996	32.9
114.06356	0.5
117.07034	0.9
119.04955	1.3
119.08572	4.2
121.06503	0.7
121.10136	0.7
123.04429	4.4
123.08056	6.9
124.05228	1.4
125.05995	1.3
125.09627	3.3
127.03945	1.1
127.07553	1.2
128.06229	0.5
129.07002	2.5
131.04929	0.4
131.08548	0.4
132.05739	1.5
133.06459	0.7
133.10143	0.6
135.04405	0.6
135.11598	0.4
137.05965	30.4
137.09576	1.9
138.06319	0.7
139.03900	0.7
140.04669	1.0
141.05484	2.2
147.04420	1.6
147.08040	5.3
147.11684	0.9
149.06009	0.6
149.09543	0.8
150.06731	2.0
151.03923	0.7
151.07527	6.9
153.05418	0.8
155.03365	3.0
155.07018	3.6
155.08408	0.6
157.06509	1.7
157.10109	0.4
160.05183	1.7
161.05904	0.5
161.13811	0.3
163.03876	0.4
165.09108	39.7
166.09436	1.1
167.07030	1.4
169.08606	2.5
169.10045	0.7
170.05733	5.9
175.07536	17.6
175.11047	0.6
175.14845	0.4
176.07947	0.7
177.05563	0.4
178.06238	7.4
179.07021	4.2
183.10118	0.4
193.08591	100.0
194.08942	2.9
211.09630	35.6
212.09982	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0963
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
53.03939	1.3
55.01862	2.2
57.03419	1.3
65.03921	1.7
67.05502	5.4
68.99795	1.0
69.03411	1.0
69.07057	1.3
69.08951	3.7
69.09373	2.4
78.04688	1.8
79.05482	7.2
81.02131	0.8
81.07043	2.4
83.04951	1.1
91.05473	11.7
93.03365	0.7
93.07045	4.3
95.04970	8.3
95.08609	1.7
103.05458	5.9
105.03370	0.6
105.06345	1.0
105.07025	15.2
106.04154	1.1
107.04957	3.0
107.08555	0.7
108.05726	1.7
109.02852	1.8
109.06495	2.9
110.03650	2.1
111.04442	1.5
118.04140	4.4
119.04926	7.8
120.05756	0.7
121.02857	0.9
121.03984	0.8
121.06484	4.0
122.03635	1.3
123.04423	56.5
123.08011	3.9
123.11798	0.8
124.05183	0.8
132.05797	0.8
133.06480	10.4
133.10127	4.4
135.04419	1.7
135.08026	2.0
136.05197	2.5
137.05959	14.2
140.60503	0.7
146.03635	1.0
147.04430	6.5
147.11694	1.2
149.06023	5.9
150.06732	5.9
151.03934	3.3
151.07536	31.3
151.11168	2.1
152.04639	0.6
152.07925	1.3
155.06915	0.6
161.05923	1.6
161.07094	2.1
163.03842	0.7
165.05466	1.0
165.09073	5.5
167.07031	44.1
168.07455	1.0
178.06305	1.1
179.07021	100.0
180.07446	2.6
181.08580	2.9
183.06500	0.7
189.42693	0.7
193.08595	13.9
193.12274	1.5
211.09633	12.1
211.13181	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0963
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
50.84125	0.6
51.02369	0.6
53.03938	1.8
55.01868	2.7
55.05494	0.7
56.99791	0.6
57.03423	1.1
65.03931	1.2
66.04712	0.5
67.05491	4.0
68.28983	0.5
68.99777	1.1
69.03443	0.8
69.36359	4.1
77.03909	0.8
78.04686	0.8
79.05495	11.2
81.03393	0.7
81.07062	1.7
83.04955	0.7
85.06525	0.8
90.04684	0.7
91.04932	1.1
91.05473	14.5
92.06275	0.7
93.07026	2.0
94.04175	1.0
95.04961	7.5
95.08602	2.0
97.06522	0.7
103.05460	8.4
104.06288	0.7
105.03379	1.0
105.07021	22.7
106.07391	0.8
107.04938	4.3
108.05715	1.9
109.02878	0.7
109.06504	2.1
109.10063	0.6
110.03646	2.1
111.04390	0.8
115.05452	1.8
118.04156	7.5
119.04929	8.6
120.05701	1.8
121.02865	1.4
121.06502	4.7
122.03605	1.0
122.07239	2.1
123.04424	45.4
123.08060	5.0
124.05141	1.0
131.04918	1.2
132.05684	1.1
133.06474	19.9
133.10057	0.6
134.07245	0.9
135.04454	3.3
135.08025	3.2
137.05978	15.2
146.03619	1.7
147.04425	6.4
148.05103	1.4
149.05972	6.3
150.06760	13.4
151.03891	3.8
151.07535	28.5
152.07899	0.9
153.05460	0.7
161.05948	2.8
161.07127	2.1
163.97711	0.6
165.05444	0.6
165.09116	11.8
166.39284	0.7
167.07031	19.6
168.07368	0.7
178.06271	1.2
179.07018	100.0
180.07401	3.1
181.08589	1.6
183.06461	0.8
193.08591	27.1
194.08990	0.9
211.09621	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	211.0963
Annotation	(+)-3-Hydroxy-5-(p-hydroxyphenyl)pentanoic acid
Peak:m/z	Relative Intensity
53.03949	2.2
53.71272	0.5
57.03430	1.0
57.07068	0.9
57.82454	0.6
67.05499	4.3
68.99795	0.8
69.03443	1.0
69.07084	1.0
69.20712	4.0
71.04993	3.7
79.05492	1.8
81.07056	1.2
83.01340	13.6
85.06532	5.1
91.05469	3.1
93.07020	0.6
95.04964	8.8
95.08593	1.2
98.98432	0.6
103.05508	0.6
105.06995	1.0
107.04926	0.7
108.40205	0.7
109.06516	5.5
111.08098	0.6
113.06001	33.6
117.07027	0.9
119.08589	3.9
123.04413	1.8
123.08056	6.1
124.05186	1.3
125.05988	0.9
125.09614	4.0
127.07520	0.9
129.07018	1.9
132.05711	1.4
137.05971	28.4
137.09631	1.4
138.06371	1.1
140.04697	0.8
141.05463	2.6
147.08028	4.5
149.06038	0.6
150.06770	2.3
151.07552	5.3
153.05504	0.9
155.06992	3.9
157.06499	1.4
160.05182	3.4
165.09109	37.9
166.09421	0.8
169.08603	2.3
175.07539	19.3
176.07864	0.7
178.06256	8.0
182.05707	0.5
193.08595	100.0
194.08954	2.3
209.32425	0.5
211.09641	36.8
212.09962	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1328
Annotation	(plusmn)7-epi Jasmonic Acid
Peak:m/z	Relative Intensity
53.03934	0.9
55.01862	3.5
55.05507	8.7
57.02315	0.5
57.03439	2.9
57.07076	3.7
65.03927	1.6
67.05502	14.8
69.03426	2.7
69.07066	22.1
70.07391	0.7
71.01354	0.5
71.04990	8.1
71.08620	0.5
71.30477	0.5
71.30887	0.9
73.02901	0.6
79.05496	13.3
80.47704	0.5
81.03401	1.7
81.07053	26.2
82.07385	0.6
83.04978	7.9
83.08631	2.5
85.02918	0.9
85.06535	8.2
91.05478	28.3
93.07043	24.3
94.04183	1.4
95.04964	13.0
95.05537	1.0
95.08604	9.9
97.02896	1.0
97.06533	3.2
99.04437	1.8
99.08075	1.9
103.04700	0.6
103.05458	1.8
105.03400	0.6
105.04533	0.7
105.07030	35.2
106.04174	0.7
106.07350	1.1
107.04947	3.0
107.08593	16.2
109.06514	25.4
109.10157	10.7
111.04426	1.1
111.08056	2.6
113.06013	2.9
115.05478	0.7
117.07044	1.2
119.04937	2.9
119.05805	0.4
119.06030	0.4
119.08569	12.4
120.08902	0.5
120.39820	0.4
121.06487	3.2
121.10132	4.8
122.03648	1.8
123.04443	3.2
123.08060	3.0
123.11700	5.2
125.05991	1.4
125.09622	1.9
127.03894	0.6
127.07543	2.7
129.06973	1.2
131.08572	7.8
133.06494	3.2
133.10123	100.0
134.10449	3.3
135.04430	0.6
135.08067	0.8
135.11700	5.8
137.05972	53.3
137.09602	1.2
137.13232	0.6
138.06340	1.3
141.05472	0.8
142.07782	0.5
147.04416	3.5
147.11684	23.2
148.11971	0.6
149.05936	3.0
149.09613	2.8
149.13297	0.7
151.03874	0.7
151.07581	7.1
151.11177	60.3
152.11485	1.7
153.05479	1.2
155.07031	16.4
155.08336	0.9
157.10129	1.7
161.05984	0.7
163.03954	0.7
163.14778	4.7
165.05505	1.5
165.12744	5.4
166.06229	0.7
167.07047	11.5
167.08467	0.6
169.08661	1.1
169.12222	0.8
170.05881	0.7
175.09674	0.7
175.11183	10.6
175.14760	2.5
178.06258	0.8
179.03471	0.7
179.07057	4.6
181.08601	1.8
193.04936	1.3
193.08589	1.9
193.12242	19.7
193.15913	1.6
194.12723	0.5
204.34114	0.5
211.05984	1.9
211.07727	0.9
211.09616	4.3
211.13261	14.5
211.15123	0.9
211.16833	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1328
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03947	7.6
55.01867	5.1
55.05510	45.4
56.96551	1.3
57.03431	9.5
57.07055	1.2
59.05005	1.5
63.08218	1.1
65.03942	1.7
67.05502	38.4
69.03437	8.7
69.07065	15.6
70.94998	2.5
71.05003	7.4
71.48086	1.0
71.57099	1.3
79.05489	36.3
81.03413	100.0
81.07053	45.7
82.03764	2.1
83.04974	52.6
83.08118	1.7
83.08619	34.9
84.08953	1.2
85.02914	1.1
85.06543	4.3
91.05477	40.2
92.05830	1.7
93.07040	21.3
94.04178	1.4
94.59688	1.2
95.04963	38.0
95.08604	23.8
97.02900	2.9
97.06516	6.1
97.10157	10.1
99.04421	1.3
99.08099	1.4
103.05440	2.4
105.07033	30.7
107.04970	7.0
107.08622	9.5
109.06525	7.2
109.10132	6.7
111.04440	2.5
111.08088	14.3
111.81695	1.2
113.05993	1.9
115.05448	2.7
115.59706	1.1
119.04919	5.6
119.08578	22.4
121.06477	4.2
121.10124	7.4
122.03617	2.8
123.04434	7.5
123.08052	6.0
125.09659	2.0
127.07583	1.3
129.06993	12.9
131.08572	12.1
133.06505	5.9
133.10127	12.9
134.10510	1.1
137.05974	52.8
137.09595	2.3
138.06398	1.5
142.07774	2.5
145.10123	1.8
147.04416	5.2
147.08051	4.2
147.11678	13.8
149.05984	2.4
149.09602	7.4
149.13173	1.7
151.07506	5.7
151.14835	1.9
153.05519	2.3
155.03383	6.3
157.10109	15.5
165.09103	4.0
165.12779	3.9
167.07036	21.5
167.08327	2.0
169.10025	1.5
170.05739	14.4
175.07591	1.6
175.11194	16.2
175.14793	4.4
179.07018	12.5
181.08554	1.6
181.10167	1.4
190.25089	1.1
193.08665	6.3
193.10466	2.4
193.12238	32.4
193.15891	1.5
205.98822	1.6
211.07697	2.2
211.09651	6.7
211.13127	12.2
211.16733	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1329
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
51.02385	0.6
53.03950	5.9
55.01881	5.7
55.05515	41.9
57.03439	9.3
57.07072	2.1
59.05006	1.1
65.03946	2.5
67.05508	38.7
68.05839	1.1
68.99800	1.7
69.03434	9.6
69.07073	10.3
71.05000	6.3
71.08582	0.7
77.03957	0.9
79.05501	33.5
81.03422	100.0
81.07063	39.2
82.03741	1.7
82.07402	0.7
83.01343	3.8
83.04987	50.1
83.08624	33.4
84.05302	0.7
84.08993	1.0
85.02921	1.5
85.06551	16.8
87.04467	1.1
91.05486	36.4
93.06462	0.8
93.07053	18.2
95.04976	32.9
95.08608	13.3
97.02924	3.6
97.06535	5.6
97.10172	7.8
98.23423	1.4
99.04486	1.1
99.08104	2.1
103.05491	0.8
105.04517	1.2
105.07035	25.0
107.04971	8.2
107.08606	6.5
109.06528	15.0
109.10185	2.3
111.04456	4.0
111.08089	10.5
113.06007	10.2
115.05466	1.6
116.06187	0.7
117.07043	2.0
119.04967	1.1
119.06113	0.8
119.08592	20.5
121.06541	2.1
121.10146	7.3
123.04436	11.6
123.08070	8.1
123.11655	0.6
125.06004	1.5
125.09618	4.5
127.03931	3.1
127.07558	7.2
128.06213	1.4
129.07005	13.9
131.08578	12.0
132.05707	0.8
133.06494	4.2
133.10132	10.5
137.05980	11.7
137.09601	3.0
138.06299	0.8
139.03896	5.6
141.07027	1.1
142.07774	2.9
143.08621	1.1
145.10138	1.7
147.08043	5.4
147.11697	14.6
149.09619	6.5
151.03935	8.6
151.07565	3.3
151.11226	1.0
153.01924	0.9
153.05428	1.5
155.03397	23.8
155.06999	1.0
155.08548	1.7
157.10141	15.3
160.05229	1.4
163.11166	0.9
164.04713	1.3
165.05414	1.3
165.09125	17.2
165.12735	3.0
166.09410	0.8
167.07047	1.5
167.08479	1.4
168.09419	0.7
169.04979	2.1
169.08662	1.5
169.10146	4.0
175.07549	8.2
175.11189	15.4
178.06235	2.3
181.10046	1.2
182.10925	0.9
183.11681	1.0
193.08611	43.0
193.12253	33.6
194.08974	1.4
194.12627	1.0
196.12454	1.1
211.09663	27.7
211.13263	14.3
211.14906	5.8
212.10066	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.133
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
51.02391	1.1
53.03946	3.8
55.01875	7.4
55.05513	39.5
56.05863	0.8
57.03442	10.4
57.07079	0.9
59.04999	1.7
65.03940	2.3
67.05507	33.8
68.46890	0.6
69.03429	10.7
69.07074	11.1
71.05000	5.6
71.08649	0.6
71.32508	0.8
76.68228	0.6
79.05497	31.5
81.03420	100.0
81.07059	38.2
82.03741	1.0
82.07414	0.7
83.01348	0.7
83.04984	47.4
83.08623	33.6
83.41804	0.6
84.05332	0.9
84.08981	0.6
85.02905	1.7
85.06541	2.1
91.05485	36.8
93.06458	1.0
93.07047	17.7
94.07341	0.7
95.04973	36.0
95.08608	15.1
97.02876	3.5
97.06541	5.4
97.10178	8.1
98.98506	1.1
99.04465	1.5
99.08108	1.3
101.09686	0.7
103.05479	1.7
105.07036	26.4
106.07352	0.8
106.91528	0.6
107.04967	6.4
107.08600	9.3
109.06538	7.0
109.10159	16.4
111.04454	3.6
111.08085	13.1
111.09272	0.7
113.06026	2.5
115.05466	1.7
117.07003	1.5
119.04934	1.9
119.08582	17.8
121.06496	3.7
121.10152	7.9
123.04437	5.9
123.08083	4.9
123.11713	1.5
125.06013	2.0
125.09633	3.2
127.07572	0.8
128.06233	1.0
129.07014	10.9
131.08559	12.3
133.06497	4.9
133.10129	13.2
135.11697	1.9
137.05998	10.1
137.09650	2.7
139.07611	0.6
141.07016	1.0
142.07770	4.5
143.08563	0.7
145.10074	1.2
147.04446	1.7
147.08055	3.4
147.11684	14.2
147.98262	0.6
149.05998	2.5
149.09625	6.1
150.06764	0.7
151.03909	1.3
151.07538	4.2
151.11195	0.9
153.07103	0.7
155.08543	3.4
157.10127	14.0
161.06053	0.8
165.05544	1.4
165.06999	1.1
165.09155	2.8
165.12808	2.6
167.07048	12.0
167.08415	0.8
168.05777	1.7
168.09444	0.9
169.10185	2.1
175.07634	1.4
175.11185	13.5
175.12617	0.8
175.14839	0.8
176.11443	0.8
179.07043	10.2
181.08545	2.1
181.10036	0.7
182.10815	0.8
183.08066	2.7
183.11734	1.3
193.08603	6.8
193.12241	32.7
194.12665	0.8
196.08830	0.9
196.12511	0.9
211.07568	6.9
211.09679	5.9
211.11240	1.3
211.13155	14.4
211.14844	2.4
211.16739	1.3
212.08136	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1329
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03944	6.4
55.01868	8.2
55.05510	42.3
56.05838	1.0
57.03437	14.7
57.07057	1.8
59.04998	1.9
65.03929	3.5
67.05504	35.7
67.51256	0.8
68.05814	0.9
69.03423	11.2
69.07070	13.1
70.00769	4.1
70.01141	1.6
71.04984	6.8
73.06528	1.3
79.05491	37.2
79.05956	1.9
80.05802	1.1
81.03416	100.0
81.07053	43.0
82.03751	1.3
82.07371	1.0
83.04977	50.7
83.08617	35.5
85.02901	1.2
85.06541	5.3
87.04472	1.2
91.05479	42.3
93.07041	22.3
95.04967	38.0
95.08024	1.8
95.08604	19.8
97.02901	3.4
97.06535	5.5
97.10177	9.6
99.04447	2.3
99.08072	1.5
101.05985	1.1
103.05457	3.0
105.06360	2.0
105.07031	29.1
106.04147	1.2
107.04953	9.2
107.08604	12.1
109.06518	8.9
109.10153	7.4
111.04488	2.3
111.08081	11.8
113.05996	5.7
115.05450	2.3
116.06247	0.9
117.07014	1.9
118.04118	1.2
119.04931	5.2
119.08584	20.7
119.83240	0.9
121.06493	4.6
121.10143	10.4
123.04432	13.2
123.08084	6.9
123.11672	2.9
124.05177	0.9
125.09628	4.6
127.11189	1.1
128.06203	1.6
129.07008	11.6
131.08566	14.4
133.06502	8.5
133.10132	11.4
135.08035	1.2
135.11676	2.7
137.05972	17.8
137.09616	4.1
139.11174	2.1
141.07007	1.0
142.07758	4.0
144.09843	0.8
145.10074	1.4
147.04436	2.9
147.08020	5.4
147.11682	15.7
149.05960	5.0
149.09598	8.9
149.13281	1.4
150.06737	2.3
151.03883	2.0
151.07513	5.8
155.04915	0.9
155.08543	2.3
156.05832	1.0
157.10123	14.7
161.06000	1.2
165.07013	1.3
165.09087	5.2
165.12750	3.9
167.07037	25.8
167.08423	1.6
169.04936	1.2
169.08687	1.7
169.10175	2.5
175.07619	2.2
175.11186	15.8
175.14899	1.4
178.06256	1.8
178.07716	1.0
179.07040	21.8
181.08571	1.7
181.10072	1.2
183.11751	0.9
193.08633	15.3
193.10249	2.0
193.12234	34.3
193.15921	2.3
211.07513	4.8
211.09637	6.7
211.11223	2.2
211.13138	13.1
211.14890	2.5
211.16879	2.1
212.04669	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
50.91730	0.7
53.03940	1.3
55.05508	12.9
57.03434	1.3
57.07059	4.0
59.05012	1.4
65.03939	1.4
65.33730	0.7
67.05506	24.9
68.05847	1.1
69.03436	9.5
69.06711	1.2
69.07068	15.7
69.38223	1.7
69.38637	3.5
70.59543	0.7
71.04993	3.8
71.08624	1.6
77.91888	0.7
79.05492	4.9
81.07055	27.6
83.04977	10.6
83.08622	9.9
85.06541	3.3
91.05479	4.7
93.07044	11.9
95.04950	3.3
95.08604	37.0
97.06521	2.1
97.10159	2.6
99.08101	4.0
105.07029	8.9
107.08591	25.2
108.08858	0.9
109.06521	10.9
109.10155	100.0
109.15590	0.7
110.10500	1.9
111.08077	3.3
113.09665	2.2
117.07078	1.0
118.04164	0.9
119.08582	24.8
121.10138	11.8
123.04430	2.3
123.08064	15.5
123.11696	9.5
133.06497	1.4
133.10126	19.2
135.11690	70.8
136.12022	1.5
137.05934	1.8
137.09621	14.5
139.11183	2.5
147.11731	1.2
149.13251	5.6
151.07486	0.9
151.11168	8.6
151.14815	10.7
153.12737	3.5
155.10597	0.8
165.16379	2.7
167.07051	1.2
169.69907	0.7
175.14816	21.1
176.15179	0.8
179.06973	4.8
190.01668	0.8
193.15883	14.6
211.09566	1.2
211.16949	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50720	1.7
53.03948	4.1
55.01876	4.8
55.05512	18.3
57.03437	9.4
57.07080	7.2
65.03951	4.7
65.69476	1.6
66.04723	1.6
67.05505	57.1
67.05875	2.9
68.99476	1.5
68.99797	6.8
69.03481	15.4
69.03944	5.9
69.07071	25.5
71.05000	11.5
71.08604	2.0
78.04691	3.8
79.05492	20.6
81.03428	15.5
81.06570	2.5
81.07057	48.6
83.01333	4.2
83.04988	15.8
83.08613	11.5
83.58165	1.4
85.02937	3.0
85.06544	93.3
86.06876	1.6
90.36196	1.4
91.05478	28.2
91.06046	1.4
93.07050	24.2
95.04972	17.6
95.08607	37.6
97.06534	6.6
97.10162	3.1
99.04456	4.4
99.08089	6.9
103.05463	12.0
105.04515	3.2
105.07030	27.3
106.04203	2.0
107.04967	6.1
107.08596	24.5
109.02881	3.1
109.06522	42.1
109.10155	52.8
111.04450	2.4
111.08088	5.0
112.01620	1.7
113.05997	7.9
113.09663	1.8
118.04176	3.5
119.04955	8.7
119.08583	23.1
120.05716	2.4
121.06510	17.5
121.10155	10.0
122.03709	2.5
123.04433	72.6
123.08070	24.5
123.11697	11.3
125.09628	9.4
127.03939	8.5
127.07549	34.4
127.08422	2.6
128.06218	1.9
129.07040	7.5
131.08556	4.9
133.06483	10.2
133.10143	16.2
135.11693	33.8
135.12656	2.6
136.05179	1.5
137.05984	40.7
137.09633	9.4
137.13271	3.5
139.03870	7.6
141.05392	1.7
141.06979	3.3
147.04442	6.2
147.08110	3.7
147.11717	5.8
149.05975	19.2
149.09557	1.8
149.13268	5.3
150.06752	6.4
151.03929	10.4
151.07542	26.7
151.11220	5.6
151.14870	4.4
153.05505	4.4
153.06871	1.6
153.12712	1.7
155.03424	11.1
155.08516	7.1
157.10190	2.8
158.29140	1.6
161.05992	4.5
161.07173	2.2
163.03931	2.7
163.14919	2.0
164.04684	4.2
165.05490	5.0
165.09105	30.1
166.06238	3.1
167.07042	92.1
168.07426	3.3
168.09332	3.0
169.05034	1.8
169.08653	4.1
169.10150	10.1
170.05891	2.8
175.07542	10.9
175.11261	2.2
175.14818	11.4
178.06276	4.4
179.07034	59.4
180.07574	2.3
181.08607	11.9
181.10117	3.1
183.08104	3.6
183.11784	3.3
193.08597	100.0
193.12283	3.3
193.15872	7.4
194.08995	4.2
196.12524	3.0
211.05859	2.2
211.07695	2.6
211.09589	41.1
211.13142	3.3
211.14870	16.4
211.16873	3.6
212.09978	1.9
214.41867	1.5
228.56607	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.0766
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	1.4
65.03965	0.7
67.05501	1.6
68.05009	0.9
69.03426	9.9
69.07052	1.6
69.87974	2.9
70.06586	1.5
72.93786	0.6
80.05015	3.3
82.02913	0.9
82.06595	0.8
83.04948	0.5
83.78340	0.6
84.08139	5.8
91.03033	0.6
94.06548	0.8
95.04917	0.7
97.02905	0.8
98.06038	4.6
101.00886	1.0
109.07690	0.6
110.06020	0.8
111.05576	1.0
112.07597	83.3
113.07899	1.5
118.87871	0.6
119.01897	2.4
121.02888	1.0
122.04536	1.1
122.06030	0.8
123.04450	6.0
135.06346	1.1
136.03990	1.0
136.07573	2.3
137.02995	0.7
138.06311	1.6
139.03926	1.1
140.05545	5.6
148.07549	0.9
148.97392	0.8
150.05547	0.7
152.05533	1.0
152.06990	1.5
153.07518	1.0
158.06618	61.7
159.06784	2.3
159.51622	0.7
162.06120	0.7
166.08563	1.7
167.03387	4.6
168.07455	0.9
170.06644	13.8
170.91411	1.8
171.06729	1.0
173.05347	1.7
176.07680	50.6
177.07838	2.7
178.08040	0.6
182.03113	0.6
182.04459	3.4
184.09534	0.8
186.05981	1.2
188.07674	44.5
188.92484	6.8
189.05518	0.7
189.07779	2.4
193.08096	0.8
193.93028	0.8
194.06639	0.9
194.08086	3.8
199.09334	0.7
200.07729	4.3
203.06369	1.1
206.98849	1.0
211.09279	1.3
211.94049	1.6
212.07652	100.0
213.03902	1.8
213.07745	4.6
214.07100	10.0
214.96281	3.1
218.08594	1.0
229.94925	0.6
230.08725	80.2
231.08945	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	213.0747
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82686	1.6
53.80362	1.7
56.16914	1.6
61.37895	1.7
71.32394	2.3
73.65633	1.8
184.20255	1.8
194.09250	1.8
195.06471	3.5
196.04849	26.4
212.84221	100.0
213.07516	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	213.0757
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85625	0.2
55.01859	0.5
57.03429	0.4
57.78257	0.2
62.10479	0.3
65.03935	4.4
65.05615	0.2
67.05488	0.3
69.07044	0.2
71.04984	0.4
71.32843	0.3
79.05490	0.9
81.07044	0.4
83.04978	0.3
83.08581	0.4
85.06560	0.3
88.07616	0.4
91.05466	0.6
93.03407	1.4
93.07037	0.7
94.06569	0.4
95.04953	0.5
95.06890	0.3
98.03650	0.3
98.73841	0.2
103.05418	0.2
104.85316	0.2
105.07053	0.3
107.04965	1.5
107.08572	0.6
108.15040	0.2
109.06571	0.2
111.04418	1.1
111.08018	0.3
119.06054	0.4
120.06400	0.4
121.02857	100.0
121.10144	0.5
121.76341	0.2
122.03162	1.9
130.15886	0.2
135.08073	0.5
137.05994	0.4
139.03893	3.1
139.06503	0.2
149.09587	0.3
153.01802	0.4
163.07607	0.6
167.07037	2.0
185.05684	0.3
185.07155	1.4
195.06540	0.5
195.10179	0.6
196.09467	0.3
196.13321	0.4
198.01523	0.2
213.05269	0.4
213.06821	0.4
213.09206	0.4
213.12376	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1121
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
53.03933	2.3
55.01857	1.9
55.05494	1.0
57.07088	0.7
58.02956	1.0
65.03931	1.6
67.05498	2.0
69.03409	1.3
69.07016	0.7
71.32678	1.0
74.86106	0.7
75.53692	0.6
77.03923	1.3
78.04700	1.1
79.05486	12.3
80.05806	0.7
81.07057	1.4
81.70872	0.7
83.04959	1.3
83.08605	0.7
88.66418	0.6
91.05463	6.6
93.07037	2.2
95.04963	5.3
95.08606	1.0
97.06533	1.3
99.04413	1.2
103.05456	12.6
105.04462	0.8
105.07012	10.7
107.04945	100.0
107.08572	3.9
108.05284	1.9
109.06496	0.9
111.04426	2.0
111.08089	1.0
114.09157	2.5
115.05438	8.6
117.07007	4.2
119.08599	0.8
119.28806	0.8
120.05717	2.6
121.02841	1.0
121.06494	1.3
123.04424	3.0
124.05203	2.4
125.05956	2.3
126.40629	0.7
128.87413	0.6
131.04924	1.7
133.06494	0.9
135.04454	1.1
135.08032	25.0
135.09053	1.5
137.05998	1.5
139.03876	2.6
139.06488	1.3
142.08580	1.7
145.07599	1.2
147.04408	2.4
148.05205	1.2
151.03911	1.6
152.04700	1.2
153.01816	5.3
153.05457	2.0
153.07008	0.7
154.06235	8.3
154.12248	1.2
155.87227	0.8
161.06029	0.8
163.03970	1.0
163.07527	37.2
164.07982	0.8
165.05484	1.1
167.03314	1.0
167.07027	40.6
168.07353	1.3
180.07813	6.8
182.11732	1.8
185.07159	3.7
195.10143	63.1
196.10516	1.5
213.06789	2.3
213.09032	1.3
213.11099	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93790	0.2
53.00300	0.3
53.01205	0.2
53.03942	1.0
55.01872	0.7
65.03942	0.4
67.05496	0.5
67.49526	0.3
71.05299	0.5
73.47898	0.2
75.15915	0.2
77.03929	0.7
78.04713	2.8
79.05492	8.4
80.71939	0.3
81.03407	0.4
81.07076	0.6
85.02889	0.3
91.05481	3.7
93.03405	0.6
93.22497	0.3
94.04224	0.3
95.04964	2.8
95.98475	0.2
103.05466	9.4
105.04537	0.5
105.07027	5.5
106.04167	2.0
107.04953	59.7
108.05284	1.2
109.06514	0.4
115.05448	4.4
117.07000	1.3
119.04935	0.9
120.05719	2.3
121.06512	0.6
122.03680	0.7
123.04432	6.4
124.05226	3.0
125.05989	1.1
131.04904	2.3
133.02815	0.5
133.06526	0.7
134.03641	0.4
135.04453	0.5
135.08055	14.8
136.08333	0.6
137.06020	1.5
137.06862	0.3
139.03896	0.6
145.07568	1.6
147.04396	1.1
148.05225	0.3
149.05920	0.8
151.03934	1.4
151.05064	0.2
152.04694	2.4
153.05476	0.5
154.06238	2.4
161.05980	0.4
163.07544	25.1
164.07875	0.7
165.05498	0.8
167.07034	100.0
168.07390	3.5
177.02483	0.3
180.07826	3.5
181.08594	0.4
195.10161	14.2
196.10484	0.6
213.11188	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.112
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
53.03938	1.5
55.01891	0.8
58.23136	0.4
71.32288	0.4
73.83435	0.4
78.04717	2.8
79.05486	8.8
81.07047	1.0
91.05490	3.8
93.03387	0.6
93.07051	0.9
95.04956	2.8
103.05468	7.9
105.03426	0.5
105.04530	0.8
105.07031	6.1
106.04156	2.2
107.04948	58.0
107.08604	0.5
108.05293	1.5
109.38861	0.5
111.08054	0.5
115.05434	3.4
117.07013	1.2
120.05722	1.7
121.06506	1.3
122.03698	0.8
123.04420	7.0
124.05237	3.3
125.05971	1.2
131.04871	2.4
133.02765	0.4
133.06500	0.9
135.08047	15.3
137.05959	1.2
138.06804	1.0
139.03888	1.8
145.07616	1.7
145.22195	0.4
145.32758	0.5
147.04364	1.0
149.05922	1.0
151.03906	1.4
152.04678	2.1
154.06242	7.4
163.07530	25.7
164.07878	1.2
165.05467	0.6
167.07030	100.0
168.07375	2.9
169.07419	0.5
170.03593	0.8
180.07773	3.8
194.43793	0.5
195.10158	13.4
195.11931	0.8
195.64583	0.4
196.10527	1.0
213.05435	1.9
213.11156	1.5
213.12910	0.5
213.16396	0.9
216.04190	0.7
231.06514	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1121
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
51.02388	0.3
53.03943	1.2
55.01874	1.1
55.05506	0.8
57.03443	0.2
65.03941	1.1
67.05499	0.5
69.03429	0.5
69.07053	0.5
69.72680	0.7
69.73080	0.4
71.04990	0.3
74.52905	0.2
77.03933	0.6
78.04701	3.4
79.05028	0.5
79.05491	9.4
81.03416	0.4
81.07064	0.9
83.08633	1.1
88.07648	0.4
91.05482	4.9
92.06232	0.3
93.03420	1.3
93.07047	0.9
94.04187	0.6
95.04972	2.8
95.08580	0.2
96.05760	0.3
97.06493	0.3
103.05463	10.2
104.30957	0.3
105.03407	0.3
105.04508	0.5
105.07025	5.9
106.04182	1.5
107.04949	62.6
107.08575	1.2
108.05304	1.2
109.02847	0.3
109.06508	0.9
111.04442	1.1
111.08071	0.6
112.22623	0.2
115.05459	4.9
116.06229	0.3
117.07008	1.8
119.04920	0.6
120.05714	2.1
121.02869	0.7
121.06513	1.1
122.03638	0.7
123.04429	6.5
124.05235	3.8
125.05995	1.6
128.06201	0.3
131.04927	2.6
133.02861	0.4
133.06468	0.8
134.03609	0.6
135.04413	0.5
135.08052	14.6
137.05978	1.6
138.06764	1.0
139.03897	2.8
139.07576	0.5
145.06528	0.4
145.07597	1.6
147.04384	1.2
148.05225	0.3
149.05963	0.9
151.03900	2.3
152.04684	2.6
153.01903	0.5
154.06235	10.8
154.07507	0.5
155.06639	0.4
157.06482	0.3
157.08679	0.3
161.05949	0.3
163.07535	26.5
164.07997	0.9
165.05405	0.7
167.07027	100.0
168.07347	2.8
169.08655	1.2
175.09595	0.3
177.09030	0.2
180.07811	3.5
185.07188	1.6
195.10168	13.3
196.10526	0.5
213.05399	0.9
213.09315	0.5
213.11165	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	213.112
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
52.65874	0.3
53.03944	1.5
53.21678	0.3
55.01865	1.3
55.05506	2.4
57.03443	0.5
57.07085	0.7
65.03937	0.7
67.05493	3.9
69.07059	3.1
71.04980	2.0
71.35851	0.7
78.04697	3.2
79.05494	10.2
81.03413	0.6
81.07056	5.4
83.04977	0.9
83.08626	1.9
85.06544	4.8
86.91487	0.4
91.05475	4.6
93.03368	0.8
93.07040	5.1
94.04138	0.5
95.04975	3.4
95.08019	0.8
95.08604	11.1
97.06533	1.3
97.10198	0.5
99.08076	1.4
103.05463	8.9
105.03401	0.5
105.04499	0.8
105.07026	7.0
106.04194	2.0
106.07395	0.5
107.04948	59.6
107.08581	4.4
108.05249	0.9
109.02853	0.6
109.06484	0.6
109.10154	3.1
109.70812	0.4
111.04435	0.8
111.08065	0.5
113.09635	0.7
115.05447	4.2
117.07008	2.1
119.04916	0.7
119.08572	0.6
120.05698	2.0
121.06464	0.7
121.10133	3.6
122.03646	0.8
123.04423	6.5
123.08124	0.5
123.11720	0.6
124.05230	2.9
125.05982	1.1
125.09618	1.3
128.06247	0.5
129.06995	0.7
131.04959	2.6
131.08601	0.9
133.06500	1.4
134.03642	0.6
135.04460	0.6
135.08044	14.6
135.11685	2.2
136.08386	0.5
137.05934	2.0
139.03908	1.2
139.06494	0.6
139.07613	0.6
141.05373	0.5
142.07790	0.6
143.08517	0.8
145.06529	0.5
145.07599	1.5
147.04399	1.0
149.06003	1.0
149.09576	0.7
149.13226	1.1
149.30017	0.4
151.03883	1.5
152.04669	2.6
153.01790	0.7
153.05504	0.5
153.09119	0.7
154.06277	2.5
157.06474	0.6
157.10098	2.1
163.07535	26.9
164.07953	1.1
165.05510	0.8
167.07030	100.0
168.07350	2.2
169.04921	0.4
171.07999	0.7
171.11687	0.7
177.16386	2.8
180.07864	3.3
185.09671	1.1
195.06520	0.7
195.08463	0.7
195.10194	14.4
195.11964	0.9
195.13838	1.2
195.17377	0.5
198.06734	0.6
198.10405	0.5
213.05531	1.2
213.09088	2.1
213.11154	1.6
213.12785	1.3
213.14552	0.8
213.16386	1.6
213.18489	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	213.1122
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
51.76235	0.4
53.03942	1.9
53.87965	0.4
55.01866	0.9
65.03938	0.6
67.05508	0.7
69.30203	1.4
69.30627	1.4
73.05271	0.4
77.03923	0.4
78.04720	2.7
79.05492	8.8
81.03420	0.6
81.07059	1.0
91.05490	4.5
93.03391	0.7
93.07051	0.6
93.20059	0.4
95.04964	2.6
103.05470	7.9
105.07030	5.5
106.04166	2.1
107.04954	57.8
107.08563	0.5
108.05261	1.2
109.06500	1.1
115.05457	3.9
115.30745	0.5
115.41963	0.4
117.07001	1.1
120.05721	1.8
121.06488	0.6
122.03625	0.8
123.04419	5.9
124.05199	3.5
125.06017	0.6
131.04907	1.6
133.06470	1.1
134.03680	0.4
135.08055	16.4
136.08382	0.4
137.05977	1.1
145.07597	1.3
147.04422	1.5
149.05974	0.7
151.03893	1.7
152.04715	2.3
154.06227	2.2
163.07552	24.9
164.07921	0.9
165.05441	0.9
167.07039	100.0
168.07391	2.4
180.07813	3.1
181.08572	0.6
195.10172	13.6
213.11235	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.112
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65874	0.3
53.03944	1.5
53.21678	0.3
55.01865	1.3
55.05506	2.4
57.03443	0.5
57.07085	0.7
65.03937	0.7
67.05493	3.9
69.07059	3.1
71.04980	2.0
71.35851	0.7
78.04697	3.2
79.05494	10.2
81.03413	0.6
81.07056	5.4
83.04977	0.9
83.08626	1.9
85.06544	4.8
86.91487	0.4
91.05475	4.6
93.03368	0.8
93.07040	5.1
94.04138	0.5
95.04975	3.4
95.08019	0.8
95.08604	11.1
97.06533	1.3
97.10198	0.5
99.08076	1.4
103.05463	8.9
105.03401	0.5
105.04499	0.8
105.07026	7.0
106.04194	2.0
106.07395	0.5
107.04948	59.6
107.08581	4.4
108.05249	0.9
109.02853	0.6
109.06484	0.6
109.10154	3.1
109.70812	0.4
111.04435	0.8
111.08065	0.5
113.09635	0.7
115.05447	4.2
117.07008	2.1
119.04916	0.7
119.08572	0.6
120.05698	2.0
121.06464	0.7
121.10133	3.6
122.03646	0.8
123.04423	6.5
123.08124	0.5
123.11720	0.6
124.05230	2.9
125.05982	1.1
125.09618	1.3
128.06247	0.5
129.06995	0.7
131.04959	2.6
131.08601	0.9
133.06500	1.4
134.03642	0.6
135.04460	0.6
135.08044	14.6
135.11685	2.2
136.08386	0.5
137.05934	2.0
139.03908	1.2
139.06494	0.6
139.07613	0.6
141.05373	0.5
142.07790	0.6
143.08517	0.8
145.06529	0.5
145.07599	1.5
147.04399	1.0
149.06003	1.0
149.09576	0.7
149.13226	1.1
149.30017	0.4
151.03883	1.5
152.04669	2.6
153.01790	0.7
153.05504	0.5
153.09119	0.7
154.06277	2.5
157.06474	0.6
157.10098	2.1
163.07535	26.9
164.07953	1.1
165.05510	0.8
167.07030	100.0
168.07350	2.2
169.04921	0.4
171.07999	0.7
171.11687	0.7
177.16386	2.8
180.07864	3.3
185.09671	1.1
195.06520	0.7
195.08463	0.7
195.10194	14.4
195.11964	0.9
195.13838	1.2
195.17377	0.5
198.06734	0.6
198.10405	0.5
213.05531	1.2
213.09088	2.1
213.11154	1.6
213.12785	1.3
213.14552	0.8
213.16386	1.6
213.18489	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	213.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	0.4
53.00309	0.5
53.03954	1.5
55.01866	1.1
55.05513	0.7
57.03442	0.4
65.03947	0.6
67.05498	0.9
68.27528	0.3
69.03416	0.9
69.07071	0.6
69.54965	1.7
71.04998	0.4
74.56348	0.3
77.03911	0.5
78.04709	2.2
79.01833	0.5
79.05495	11.2
80.35379	0.3
81.03402	0.6
81.07047	1.9
83.04974	0.5
85.02893	0.6
85.06538	0.7
86.09737	0.5
91.05482	5.3
92.23235	0.3
93.03392	0.6
93.07014	1.7
94.04192	0.5
95.04952	3.2
95.08578	0.8
97.02880	0.4
97.06557	1.2
103.04769	0.6
103.05457	8.9
105.03371	0.6
105.04538	0.7
105.07030	6.9
106.04182	1.8
107.04951	59.2
107.08584	2.5
108.05282	1.3
109.06525	0.7
110.03698	0.4
111.04449	1.2
111.08092	0.4
115.05456	4.5
117.07008	1.8
119.04929	0.7
119.08586	1.3
120.05741	2.5
121.06511	1.3
121.10136	0.7
122.03637	0.9
123.04424	6.7
123.08067	0.7
124.05212	3.2
125.02330	0.4
125.06013	1.2
128.06242	0.4
128.10683	0.4
131.04916	2.3
131.08577	0.7
133.02884	0.3
133.06511	0.9
134.03651	0.5
135.04433	0.8
135.08047	14.8
135.11650	0.5
137.05991	1.3
139.03894	1.1
139.07516	0.4
140.10762	0.3
143.03403	0.5
145.07576	1.5
147.04424	1.2
147.08185	0.3
149.05936	0.6
149.09630	1.1
149.13165	0.4
151.03935	1.7
151.07576	0.8
152.04700	2.2
153.01830	9.1
153.03029	0.4
153.05426	0.7
153.09105	0.6
154.06221	2.0
163.03885	0.7
163.07539	25.2
164.07877	0.7
165.05490	1.1
165.09114	0.4
167.03369	1.7
167.07034	100.0
168.07343	3.1
177.09103	1.7
180.07837	2.9
181.04901	0.6
181.08589	0.4
185.07068	1.1
195.04597	0.4
195.10162	15.9
213.05472	1.0
213.09137	0.6
213.11153	3.6
213.12944	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1121
Annotation	Melazolide A
Peak:m/z	Relative Intensity
50.63268	0.9
53.03939	1.7
55.01860	2.8
55.05499	2.1
57.03420	1.1
62.57042	0.9
65.03935	2.3
67.05482	3.2
69.03422	2.3
70.06588	2.0
71.04986	1.2
71.29371	1.2
73.02906	2.3
79.05066	1.2
79.05493	17.2
81.03413	1.6
81.07053	6.7
83.04981	3.7
85.02898	1.6
91.05479	34.2
93.03387	1.1
93.07047	26.4
95.04965	6.4
95.08583	2.4
97.06511	3.7
103.05419	1.4
105.07030	44.3
106.07330	1.0
107.04276	1.8
107.04960	25.7
107.08595	63.1
108.05303	1.6
108.08891	1.2
109.02844	1.8
109.06525	5.3
109.10095	1.4
111.04405	2.8
111.08121	1.0
115.05397	1.0
116.06213	4.4
117.07037	4.7
119.04815	1.1
119.08579	100.0
120.08887	3.0
121.06550	5.7
121.10143	26.0
123.04441	5.9
123.08066	6.3
125.02311	3.8
125.05965	2.1
125.09579	1.8
128.06258	1.3
129.06981	3.9
131.08562	36.8
132.08910	1.9
133.06496	5.1
133.10141	5.7
134.41185	1.0
135.04422	9.9
135.08069	6.2
137.05959	4.8
137.09566	2.3
138.06296	1.4
139.03896	2.1
139.06511	2.2
140.04678	27.8
141.05463	2.2
142.07739	1.3
145.03947	1.8
147.08043	35.3
149.05936	2.6
149.09628	31.1
151.07545	1.1
151.11205	1.6
153.01770	2.6
153.05435	7.3
153.06956	4.2
153.09085	2.2
155.07033	16.0
159.08096	10.1
163.03897	17.4
165.09122	35.7
167.03400	9.0
167.05777	1.8
167.07045	22.9
167.10677	9.9
168.09969	1.2
169.04907	1.4
169.07520	6.8
170.07205	1.1
170.11659	1.8
177.05441	1.5
177.09108	29.4
181.06410	2.3
185.07153	2.2
195.06586	10.9
195.10167	28.6
213.07251	4.2
213.09183	5.7
213.11166	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1484
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03935	3.5
55.05510	23.2
57.03431	7.8
57.07065	3.1
57.77662	1.6
65.03945	2.2
67.05500	74.7
68.04089	1.6
68.05862	1.9
69.07064	27.2
70.47401	3.0
70.47739	3.1
71.04990	5.3
79.05490	41.4
80.05865	1.8
81.03406	3.1
81.07053	100.0
83.05004	8.9
83.08620	21.7
85.06541	3.8
88.07654	2.1
91.05487	24.5
91.31031	1.8
93.07039	61.5
95.04956	3.8
95.08597	22.2
97.06528	13.9
97.10159	4.0
99.08107	3.8
105.07034	10.1
107.04993	1.7
107.08588	28.1
109.06485	2.8
109.10148	1.8
111.08092	7.6
117.07014	16.2
119.08569	4.9
119.55667	1.5
121.06478	3.0
121.10129	15.1
123.11712	5.6
128.06221	3.1
129.07010	3.5
131.08566	10.5
133.10120	14.7
135.08037	3.7
135.11676	13.4
142.07846	2.3
143.08582	5.6
145.10130	10.5
149.13246	32.1
151.11209	2.3
157.10146	7.8
159.11674	17.6
167.06996	3.4
171.11710	7.2
177.12759	7.4
195.13849	6.7
213.05338	2.5
213.12842	1.9
213.16376	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	213.1483
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03947	3.0
55.01877	5.5
55.05503	17.5
57.03424	8.9
57.07079	4.5
67.05502	78.1
69.07066	29.4
69.47813	11.8
71.04991	5.2
79.05491	40.8
81.07052	100.0
82.07350	2.7
83.04967	12.2
83.08613	23.2
85.06532	4.9
91.05467	24.3
93.07038	66.4
95.04960	3.6
95.08595	29.3
97.06542	13.8
97.07069	2.9
97.10177	2.3
98.23263	3.6
99.08089	5.0
105.07034	9.8
107.08589	32.7
109.06516	3.3
111.08067	9.5
114.39240	2.4
117.07018	9.4
119.08604	3.2
121.10148	15.1
131.08542	9.9
133.10135	16.4
135.11670	16.2
149.13255	37.4
159.11688	18.8
177.12743	4.2
195.13896	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	213.1849
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
53.03943	2.9
55.05513	14.2
57.03447	1.6
57.07076	4.9
59.05006	2.4
59.50164	0.9
67.05507	44.8
68.00187	1.2
69.03425	3.1
69.06712	1.7
69.07070	25.9
70.65497	1.4
70.65810	2.1
71.04998	42.3
72.05315	1.4
73.06549	1.4
79.05501	13.0
81.07059	47.7
83.04972	2.8
83.08622	8.9
85.06554	5.6
91.05468	5.7
93.07046	23.8
94.49135	1.0
95.05000	2.1
95.08022	2.0
95.08611	32.2
97.06522	3.6
97.10195	3.4
99.08100	6.1
103.05465	2.1
105.07015	3.6
107.04951	11.1
107.08595	23.9
108.08979	1.6
109.06538	1.3
109.10163	100.0
110.10517	2.4
111.04410	1.4
111.08091	3.3
113.09641	3.0
121.10149	35.5
123.04427	1.5
123.08107	1.5
123.11720	11.9
125.02347	1.4
125.09650	4.5
127.11179	2.8
133.10124	1.4
135.08072	2.0
135.11696	18.3
137.13257	6.0
139.11197	3.9
143.08466	1.1
149.13255	3.4
151.14793	1.4
153.05435	1.2
153.12746	14.5
155.08540	1.2
157.10129	2.8
163.07593	3.1
167.07045	17.9
167.08476	1.4
171.07985	1.3
171.11749	2.5
175.82367	1.1
177.16388	26.0
181.07596	1.3
185.09621	1.4
195.10201	3.0
195.17444	27.1
213.05579	1.3
213.09103	2.4
213.12817	1.8
213.16537	2.2
213.18414	12.8
225.13678	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64820	1.7
53.03938	3.5
55.01879	1.4
55.05513	52.6
56.05826	1.9
57.03437	2.2
57.07072	2.0
58.74485	1.4
59.04988	1.6
64.98781	1.3
67.05167	2.3
67.05505	33.0
69.03436	2.6
69.07070	47.5
69.36283	8.5
69.36684	3.1
70.07402	1.7
71.04972	5.7
71.37444	1.3
73.06564	3.1
79.05501	14.0
81.07056	81.8
82.07391	2.0
83.04977	4.5
83.08620	38.0
85.06534	8.7
85.70733	1.3
91.05483	19.0
93.07045	16.4
95.04969	3.6
95.08607	100.0
96.08936	2.8
97.06535	11.7
97.10161	14.2
98.09679	1.9
98.10458	1.5
98.23359	1.4
99.08121	3.4
101.06005	2.3
105.03375	1.7
105.07031	22.2
106.07315	1.5
107.04998	1.9
107.08597	9.1
108.05253	3.1
108.08942	1.4
109.06508	4.8
109.10184	8.7
111.08092	2.1
111.11647	1.7
112.70611	1.3
113.09628	1.8
115.05451	1.5
115.07504	1.6
117.06996	3.5
119.08575	31.0
121.10120	8.2
122.10477	3.2
123.08067	11.4
127.07553	3.0
128.06171	2.8
129.06958	2.9
131.08575	7.5
133.10123	19.5
135.11700	12.2
137.09581	2.2
137.13263	17.7
141.06921	2.3
141.09149	1.7
141.14636	1.5
143.08546	4.0
144.05637	1.7
145.06508	2.6
145.10103	5.0
149.13197	1.9
154.07797	1.6
158.07175	1.8
159.08047	2.3
159.11670	5.1
161.13255	45.0
167.07036	2.0
168.07364	9.3
169.07590	1.6
169.10162	3.0
172.08672	1.6
173.09627	4.4
173.13344	1.3
179.14313	9.5
180.83604	1.3
181.35335	1.3
184.26433	1.4
187.07574	3.5
187.11162	9.4
196.10594	2.1
196.16956	14.3
197.09642	4.0
214.06230	1.7
214.18016	61.3
215.06969	2.6
215.10704	10.6
215.14316	2.9
215.18124	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	215.0701
Annotation	4,4'-Dimethylangelicin
Peak:m/z	Relative Intensity
51.95947	0.3
55.01610	0.5
55.01869	8.0
68.99785	1.5
69.35658	1.8
69.36077	0.4
71.01354	0.5
81.46807	0.2
91.05489	1.7
92.47948	0.3
103.05460	0.5
113.36217	0.3
115.05450	5.0
116.06226	0.3
117.07014	1.7
127.05370	0.4
128.06235	0.8
129.06975	1.3
131.04890	0.6
131.08553	3.4
132.95836	0.4
138.28639	0.3
141.06979	18.5
142.07349	0.4
143.08536	0.3
144.05719	1.4
145.06474	12.9
146.06871	0.5
150.96945	0.4
152.06169	0.4
155.04915	0.9
155.06038	0.8
156.78600	0.3
157.06476	0.4
158.07326	0.3
159.04382	0.9
159.08040	4.1
168.05751	0.7
169.06474	26.6
170.06923	1.6
170.15387	0.5
171.04425	0.8
171.08054	0.4
172.05145	0.9
173.05969	16.1
174.06281	0.4
179.06017	0.4
185.06021	0.9
186.06726	0.7
187.07529	16.3
188.07898	0.7
197.05957	22.4
198.06592	1.9
198.14867	0.6
200.04666	5.3
201.05322	0.5
214.06219	0.8
215.07011	100.0
216.07361	3.7
233.87364	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1389
Annotation	H-Pro-Val-OH
Peak:m/z	Relative Intensity
53.53497	0.4
55.31709	0.3
58.06595	10.0
59.91826	0.3
60.08175	1.7
68.62540	0.3
69.99545	0.7
69.99929	0.5
70.06590	4.8
71.04983	0.5
72.08150	9.4
72.43179	0.3
72.93769	0.3
75.07681	0.3
75.42184	0.3
75.56056	0.3
81.03421	0.4
84.08138	5.3
89.09589	0.3
95.06025	0.4
98.06044	1.7
98.09679	1.4
100.07587	0.8
112.07604	1.8
113.03418	0.3
113.07157	0.5
114.05521	1.1
116.10732	1.4
118.08645	0.3
119.01908	0.5
124.07583	0.6
126.09165	0.8
128.07048	1.6
128.10716	1.1
129.10255	0.4
137.94521	0.3
156.06569	0.9
169.13351	41.2
170.08093	0.5
170.13719	0.6
185.96602	0.3
214.63104	0.3
214.84926	0.7
215.01614	1.1
215.13896	100.0
216.14183	2.9
222.41794	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.1594
Annotation	Ethyl 3-(N-butylacetamido)propionate
Peak:m/z	Relative Intensity
55.01867	0.7
55.05503	2.4
57.07068	1.8
59.05023	0.2
59.99083	0.2
60.04515	0.2
61.02909	0.3
67.05495	0.2
69.42513	0.8
69.42918	0.5
72.04520	0.3
73.02898	0.8
83.04511	0.3
83.04973	3.1
83.08602	0.3
86.06064	1.0
86.09700	100.0
87.04465	0.6
87.10032	1.3
89.02373	0.3
89.06015	0.7
98.23296	0.3
99.04436	0.3
101.06020	1.5
111.04435	3.8
113.05991	0.6
116.10715	0.9
127.07542	0.5
128.10707	49.4
129.05473	0.5
129.11043	1.3
142.12216	0.4
155.05820	0.4
155.07030	5.0
170.11749	44.7
171.12061	1.2
173.08086	2.4
174.14893	6.7
188.64101	0.2
199.09586	0.2
216.15990	1.4
217.10641	2.3
236.02916	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0495
Annotation	Xanthotoxin
Peak:m/z	Relative Intensity
55.01858	0.9
55.05509	3.5
57.23646	0.2
67.05482	0.6
68.99767	0.5
69.03413	0.4
69.07064	0.5
71.33940	0.4
79.05478	1.0
80.73818	0.2
81.07044	0.7
83.04977	5.7
83.05478	0.3
83.08593	0.5
85.06544	0.3
87.04455	0.6
89.02375	0.5
89.06032	0.8
91.05472	7.0
93.07030	0.4
95.04963	0.3
95.08591	0.9
99.04447	0.3
99.83138	0.2
101.06018	1.9
103.05444	0.8
105.03371	1.5
105.07021	5.3
107.08572	0.9
109.10136	0.9
111.04434	6.7
113.06010	1.1
115.05447	20.1
116.05815	0.4
117.07007	1.0
119.04944	0.3
119.08558	1.4
121.10133	0.7
123.11702	0.5
127.07550	1.0
128.06235	0.3
129.05461	1.9
130.25606	0.2
133.06487	5.3
133.10124	0.7
137.05965	0.3
143.04910	4.2
143.08540	0.3
145.06462	0.5
145.10124	0.3
147.04404	0.9
147.11679	0.9
155.04979	0.5
155.05852	0.6
155.07030	10.1
155.08308	0.5
156.05614	0.4
157.10048	0.4
159.11670	0.5
160.05183	0.9
161.05969	20.2
161.13229	0.7
162.06337	0.6
167.68274	0.2
171.04424	2.6
173.05988	0.8
173.08099	5.4
174.03134	0.3
175.03839	0.5
175.11212	0.3
184.03333	0.3
187.03865	0.9
189.05470	1.3
189.16272	0.3
195.26053	0.3
199.03896	1.5
199.09639	0.8
199.14824	0.6
206.88412	0.2
215.03363	2.4
217.04944	100.0
217.10519	4.8
217.15784	1.9
217.19489	1.5
218.05284	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	217.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03489	0.2
50.40756	0.2
51.47227	0.2
55.01867	1.2
55.05508	2.3
67.05503	0.6
68.99789	0.8
69.07059	0.6
79.05492	1.0
81.07047	0.5
83.04982	2.3
83.08629	0.3
87.04488	0.4
89.02420	0.2
89.06019	0.4
91.05475	7.2
92.84207	0.2
93.07027	0.5
95.04953	0.2
95.08597	0.9
98.23354	0.2
99.04465	0.2
101.06030	1.0
103.05493	1.0
105.03387	1.4
105.07026	4.9
106.07376	0.2
106.37753	0.2
107.08584	0.4
109.10187	0.4
111.04448	2.7
113.05990	0.3
115.05450	24.1
116.05787	0.6
116.12282	0.2
117.07063	1.0
119.04964	0.2
119.08604	1.0
121.10193	0.3
127.05408	0.5
127.07529	0.7
128.06239	0.2
129.05481	0.8
133.06487	4.6
133.10091	0.9
134.67923	0.2
143.04915	5.2
143.08546	0.4
144.05702	0.3
145.06473	0.6
147.04416	1.5
147.08061	0.4
147.11711	0.6
155.04918	0.6
155.06027	0.2
155.07025	3.6
156.05667	0.3
157.10088	0.6
160.05151	1.2
161.05971	18.0
161.09619	0.5
161.13290	0.5
162.06351	0.7
171.04417	3.5
173.05925	1.2
173.08098	1.7
174.03082	0.4
174.06973	0.2
175.03835	0.6
175.11160	0.3
187.03818	0.9
188.11868	0.3
189.05440	1.8
189.12778	0.3
189.16304	0.2
199.03905	2.0
199.09641	0.3
199.14836	0.4
215.03384	2.1
217.04947	100.0
217.10408	1.8
217.15816	2.0
217.19431	1.0
218.05298	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	217.0494
Annotation	Xanthotoxin
Peak:m/z	Relative Intensity
55.01866	1.2
55.05510	1.6
59.05009	0.3
61.02923	2.2
65.03941	0.2
65.28065	0.1
66.97806	0.1
67.05483	0.4
68.99409	0.3
68.99786	4.0
69.07092	0.2
69.40751	0.7
69.41161	0.5
77.03906	0.2
79.05493	0.8
81.07057	0.3
83.04988	2.4
83.05443	0.3
83.08616	0.3
87.00811	0.2
87.04461	0.3
89.06015	0.2
91.05476	7.7
93.07047	0.5
95.04950	0.3
95.08585	0.3
98.23278	0.3
101.06023	0.8
103.05451	0.9
105.03383	1.8
105.07027	4.5
107.08616	0.4
109.10108	0.4
111.00820	0.3
111.04434	3.0
113.06003	0.4
115.05447	19.1
116.05782	0.5
117.07010	0.8
119.04903	0.2
119.08576	0.7
121.10120	0.4
123.11657	0.3
126.60684	0.2
127.07537	0.5
129.01834	6.1
129.05490	0.7
133.06483	6.8
133.10110	0.5
134.06764	0.2
135.11720	0.2
139.00269	0.6
143.04915	3.8
144.05707	0.4
145.06479	0.3
147.04420	1.0
147.11687	0.5
151.59236	0.2
155.04907	0.4
155.07025	3.8
155.52248	0.2
156.05754	0.3
157.01299	0.3
157.10141	0.2
159.11687	0.3
160.05188	1.0
161.05968	28.1
161.13232	0.6
162.06328	0.7
171.04385	1.9
171.05592	0.2
171.11668	0.3
172.05173	0.2
173.05946	1.9
173.08070	2.4
175.03914	0.3
187.03802	1.2
189.05472	1.6
189.75143	0.2
199.03874	1.3
199.09619	0.2
199.14864	0.2
215.03395	2.6
217.04942	100.0
217.10466	2.3
217.15837	0.7
217.19449	1.1
218.05276	3.6
218.07277	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1587
Annotation	Mutisianthol
Peak:m/z	Relative Intensity
53.03951	1.1
55.01868	0.7
55.05510	10.2
55.40297	0.5
57.07074	2.7
59.04998	1.2
61.76694	0.4
65.03937	0.5
67.05508	4.4
69.03424	1.8
69.07063	5.6
71.04987	1.1
71.08621	5.3
71.32498	0.5
79.05482	3.3
81.03432	0.5
81.07051	5.3
83.04977	16.4
83.08619	2.7
85.02910	0.8
85.06535	1.2
87.04464	2.1
89.02401	1.3
89.06017	2.0
91.05473	6.9
93.07031	5.0
95.04975	0.9
95.08597	4.1
97.06510	0.9
99.04471	1.2
101.06004	5.7
101.91322	0.4
105.07021	17.6
106.07327	0.8
106.88799	0.4
107.04946	1.4
107.08600	5.4
109.06510	3.0
109.10128	5.2
111.04436	18.4
111.08092	0.8
112.04789	0.5
113.05981	2.1
115.05475	1.4
117.07008	1.8
119.04937	0.6
119.08571	8.5
121.06498	23.4
121.10127	3.5
122.06844	0.7
123.08035	1.0
127.07524	3.2
128.06197	2.9
129.05484	3.1
129.06982	3.2
131.08556	5.7
132.05733	0.8
133.06474	1.9
133.09163	0.9
133.10120	12.3
135.08040	12.9
135.11682	2.3
137.06020	0.5
137.09569	0.5
141.07025	0.7
142.07779	3.1
143.08571	4.0
145.06488	1.0
145.10139	3.1
146.07251	9.2
147.08038	14.2
147.11646	3.9
149.09573	0.9
149.13272	0.4
155.07021	22.3
155.08324	1.1
156.05692	1.7
156.07449	0.8
156.09348	1.2
157.06468	0.8
157.10109	5.7
158.07201	0.6
159.08044	2.0
159.11684	2.6
160.08807	2.6
161.09608	100.0
161.13170	2.5
162.09969	3.3
171.11673	2.2
173.08110	10.2
173.09549	1.3
173.13222	1.6
174.06776	0.8
174.10246	0.6
175.07533	1.3
175.11176	24.6
175.14784	1.6
176.11530	1.3
189.05482	0.5
189.09129	1.0
189.12640	1.1
189.16347	1.4
199.07722	0.5
199.09596	1.1
199.11255	1.0
199.14824	4.0
202.06300	0.6
217.05040	1.2
217.08571	4.4
217.10677	10.0
217.12331	2.3
217.15858	23.5
217.19234	4.9
218.16158	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1588
Annotation	(+)-beta-Cuparenone
Peak:m/z	Relative Intensity
50.04311	0.5
55.01869	0.9
55.05513	10.8
57.07082	3.2
59.05007	4.0
65.03926	0.8
65.06876	0.5
67.05497	3.8
69.03419	1.1
69.07067	25.4
71.04980	1.0
73.65434	0.5
77.03927	0.6
79.05505	3.1
81.07063	8.6
83.04980	12.1
83.08610	3.3
85.06554	1.7
87.04470	1.6
89.02396	1.0
89.06025	1.6
91.05474	6.1
93.07045	5.6
95.08607	5.5
97.06514	1.8
99.04469	0.8
101.06024	5.0
105.07032	23.1
106.07372	0.6
107.08601	8.0
109.06515	1.9
109.10183	2.9
111.04442	16.3
113.05984	1.9
115.05482	1.4
117.07029	3.4
119.04951	1.9
119.07749	1.0
119.08581	18.2
121.06499	2.1
121.10135	3.3
123.08086	1.2
123.11694	0.7
127.07547	2.2
128.06210	4.3
129.05476	2.3
129.07001	6.5
130.07733	0.7
131.08572	19.0
132.08823	0.6
133.06485	1.6
133.10133	10.4
135.08020	0.6
135.11687	4.4
137.09610	2.0
141.07001	2.3
142.07777	26.8
143.08559	17.0
144.09317	2.0
145.06519	0.9
145.10136	5.6
146.07301	0.9
147.08057	6.3
147.11684	7.3
148.08780	1.4
149.09608	3.5
155.07034	19.3
155.08528	6.1
156.05786	0.8
156.07399	1.0
156.09351	15.5
157.10127	100.0
158.10423	4.1
159.08075	1.6
159.11700	19.4
160.08850	0.7
160.12120	0.7
161.09618	7.4
161.13272	3.1
169.10120	2.8
170.10901	12.2
171.11691	37.5
172.12083	1.1
173.08119	12.8
173.09592	1.2
173.13246	10.5
174.08356	0.6
174.10471	0.6
174.14102	0.8
175.07588	0.6
175.11200	11.4
175.14781	6.1
184.12451	3.2
185.58357	0.5
189.09152	0.8
189.12764	1.7
189.16406	7.5
190.16693	0.6
199.09656	1.4
199.14821	30.5
200.15099	1.0
217.04987	0.6
217.08594	2.3
217.10687	10.4
217.12335	1.6
217.15875	65.1
217.19450	4.2
218.16225	3.4
228.74986	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22260	1.3
51.82535	1.3
53.03927	1.9
55.01878	3.0
55.05508	45.5
57.07083	5.4
59.05006	3.6
65.47801	1.3
67.05505	9.5
69.03450	5.0
69.03758	5.4
69.04182	7.4
69.07065	19.9
70.50803	1.2
71.04987	1.6
71.08609	4.1
73.02914	2.4
73.06561	2.6
79.05482	5.1
80.60939	1.1
81.07053	7.9
83.04978	58.6
83.08639	4.7
83.21532	1.2
85.06551	3.2
86.09710	6.0
87.04470	5.9
87.10031	2.7
89.02412	6.1
89.06031	14.4
91.05472	10.1
93.03401	1.8
93.07055	8.8
95.08612	6.4
99.04479	2.5
101.06022	21.1
103.05505	1.3
105.07024	17.3
107.08586	10.2
109.06534	3.0
109.10171	4.4
111.04440	75.3
111.08096	2.4
111.11711	9.1
112.04788	1.6
113.05991	8.4
117.07030	2.7
119.04919	1.4
119.08572	12.7
121.06506	4.0
121.10149	4.5
123.11661	1.5
127.07552	11.8
128.06218	10.5
129.05469	14.5
129.07008	5.9
129.11073	3.2
129.12762	2.6
131.08560	8.1
133.06465	2.3
133.10118	10.2
135.11711	2.9
137.05983	2.1
142.07758	7.7
143.08578	7.5
145.10120	6.9
147.08067	3.8
147.11714	7.6
147.90355	1.4
155.07024	100.0
156.05685	22.7
156.07350	2.5
156.09366	4.8
157.06462	2.1
157.10106	17.4
158.07097	1.3
159.08092	1.5
159.11664	7.8
161.09592	9.4
161.13235	5.0
169.10211	1.4
170.10826	1.5
171.11728	10.7
171.32220	1.3
173.05949	2.1
173.08089	50.2
173.13264	4.7
174.06842	2.8
174.08412	1.9
175.07562	2.4
175.11179	5.0
175.14885	3.5
184.05223	3.1
189.09201	2.8
189.12807	1.6
189.16364	2.5
199.07774	1.5
199.09692	4.1
199.11276	3.1
199.14798	10.6
202.06210	4.8
217.08615	23.9
217.10735	43.2
217.12265	5.9
217.15874	21.3
217.19376	9.2
218.07011	1.5
218.21202	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	217.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19630	1.4
55.01875	2.5
55.05510	41.4
57.07067	5.0
59.04999	5.5
61.26206	1.3
65.03951	1.7
67.05484	5.4
69.03429	4.3
69.07072	17.7
71.04986	3.1
71.08608	2.2
73.02908	1.7
73.06544	3.0
76.40378	1.5
79.05481	4.2
81.00800	1.2
81.07058	7.9
83.04981	57.8
83.08614	4.1
84.05322	1.3
84.46399	1.2
85.06530	3.6
86.09716	2.1
87.04485	6.8
87.10010	2.9
89.02390	6.0
89.06038	13.5
91.05495	8.4
93.07051	6.7
95.04958	1.4
95.08591	4.3
97.10152	1.7
99.04432	2.4
99.84850	1.3
101.06023	19.3
102.75747	1.3
105.07018	11.3
107.08599	6.0
109.10162	4.0
111.04444	77.6
111.11698	7.8
113.06011	7.6
117.07027	2.6
119.08578	9.4
121.06469	1.9
121.10145	3.3
123.11732	1.7
127.07549	14.0
128.06223	5.2
129.05502	13.4
129.06964	3.2
129.12735	2.1
131.08569	6.9
133.10139	5.3
135.11691	3.6
137.05956	5.0
142.07777	6.7
143.08545	8.0
145.10120	3.7
147.08044	3.3
147.11659	6.5
155.07027	100.0
156.05687	10.2
156.07310	3.7
156.09343	4.1
157.06343	2.2
157.10126	18.0
159.11713	6.7
161.08394	1.3
161.09576	7.2
161.13222	3.4
170.10788	2.1
171.11707	8.1
173.08096	54.7
173.13274	1.6
174.06737	3.3
175.07579	2.1
175.11133	4.6
175.14781	2.1
189.09135	3.1
189.16389	1.9
199.09613	4.1
199.11301	2.5
199.14861	7.0
202.06200	2.9
202.09792	1.5
217.05058	2.1
217.08577	16.9
217.10701	39.4
217.15875	18.4
217.19403	7.0
218.10988	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.195
Annotation	(+)-Vulgraon B
Peak:m/z	Relative Intensity
53.03941	4.1
55.01858	3.9
55.05509	45.2
57.07068	4.2
59.04972	2.4
67.05505	24.5
69.03411	3.0
69.07069	23.6
70.69016	5.5
73.02939	2.4
79.05492	13.7
81.03415	2.3
81.07059	37.0
82.07403	2.4
83.04979	50.6
83.08614	6.6
85.06536	2.5
87.04457	7.1
89.02377	6.9
89.06021	6.5
91.05476	29.3
93.07037	24.5
95.08601	58.8
97.10148	4.3
101.06033	17.5
103.05453	3.4
105.07022	63.3
107.08586	38.7
109.06515	5.9
109.10155	48.8
111.04440	62.2
111.08078	2.4
113.06017	13.4
115.05441	27.5
116.05772	2.6
117.07005	5.5
119.08580	56.8
121.06490	4.3
121.10140	41.0
123.08052	4.0
123.11713	20.1
127.07564	12.0
129.05482	20.4
129.06999	6.0
131.08562	8.6
133.06482	7.2
133.10129	41.4
135.11676	15.8
143.04907	8.3
143.08560	9.0
145.10138	6.4
146.10847	3.2
147.04440	2.6
147.08031	6.0
147.11687	43.9
149.13219	3.5
155.07027	88.5
156.05644	3.1
156.07199	2.2
157.10104	9.4
159.11713	9.1
161.05969	18.6
161.09627	7.5
161.13261	46.7
171.04391	4.6
171.11707	2.6
173.08102	44.7
173.13220	4.1
174.08549	2.2
175.11240	3.3
175.14807	14.2
189.05470	4.1
189.16377	9.5
199.09627	6.6
199.14783	15.5
213.08540	2.9
217.04951	100.0
217.08566	3.7
217.10609	40.6
217.15976	38.0
217.19496	84.2
218.05336	5.5
218.16219	2.2
218.19788	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	218.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01833	0.2
55.05508	1.3
56.05840	1.0
57.03431	2.4
58.06609	0.3
59.04978	0.1
60.08162	9.7
61.02931	0.2
67.05515	0.3
68.99766	0.2
69.03433	0.2
70.06569	0.2
71.01358	1.4
71.17270	0.2
72.04497	0.2
72.08156	0.3
74.06071	0.2
75.04485	0.6
81.07082	0.2
82.06570	0.2
83.04979	1.5
84.05319	1.3
84.08142	2.2
84.24650	0.2
85.02901	100.0
86.03225	1.3
87.04472	0.2
88.04797	0.2
89.02404	0.3
89.06017	0.4
90.06363	0.3
94.02940	0.2
98.97565	0.3
101.05997	0.6
102.06348	0.8
103.03934	0.7
111.04437	1.9
112.04781	2.2
113.06000	0.3
114.06297	0.3
116.98582	0.2
119.01930	0.5
119.08560	0.3
120.01974	0.9
121.01703	0.4
121.10112	0.2
126.09107	0.2
129.05467	0.4
129.07875	0.4
129.08844	0.2
130.04976	0.4
130.05823	0.5
130.08641	0.6
131.03432	0.9
133.10172	0.2
138.03036	0.2
138.05402	0.2
140.03458	0.2
144.10197	2.2
146.03595	0.6
147.03146	0.3
154.08569	0.2
155.05812	0.3
155.06975	1.2
156.06320	0.3
156.07414	4.0
159.02904	0.8
159.06520	9.0
164.04622	0.4
170.08112	0.8
172.06042	0.6
172.09616	0.2
173.08084	0.5
173.09560	0.3
174.08435	2.1
177.00798	0.2
190.02611	0.2
190.05026	0.2
195.01448	0.2
200.09218	0.3
203.14273	1.6
218.06671	0.4
218.10907	1.9
218.13857	17.3
219.01903	0.5
219.14056	0.4
219.17400	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	219.0264
Annotation	Unknow
Peak:m/z	Relative Intensity
71.15164	21.3
75.98769	10.0
84.08138	100.0
123.35075	11.6
130.08624	41.5
133.85634	11.8
139.14194	10.5
172.37529	12.1
219.17078	38.4
219.20299	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	219.0266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	4.2
67.05494	3.5
69.72678	4.7
69.73090	3.5
70.06552	2.2
71.01349	2.5
72.08149	12.7
73.06551	2.0
74.06078	3.6
81.44937	1.6
84.08139	100.0
85.02901	13.1
85.06530	4.3
85.08453	1.7
86.03215	6.8
86.09701	5.1
87.15424	1.5
90.09189	6.5
91.59186	1.4
93.07044	2.5
98.97565	4.9
103.00613	2.7
114.09211	1.7
116.98611	3.2
119.01944	4.2
119.08543	3.4
121.01675	9.5
121.10142	5.0
126.36711	1.5
130.04880	1.7
130.08630	30.5
133.10175	1.8
142.54906	1.5
147.03191	6.0
156.13799	4.8
161.13266	1.8
165.04294	2.5
174.14879	5.3
175.14821	1.5
184.09602	2.1
201.15929	2.8
203.14305	20.1
205.15865	3.7
219.11031	2.7
219.13963	3.6
219.17313	81.4
220.17789	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	219.1013
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
67.05479	2.2
70.59667	2.0
70.60035	2.1
79.05523	1.0
91.05475	11.1
93.07039	2.8
95.08601	1.1
102.21812	1.2
102.95210	1.0
103.01794	1.2
103.05444	3.6
105.07018	3.0
107.08578	1.9
115.05448	10.1
115.49511	1.0
116.06229	4.8
117.07014	3.5
119.08500	1.7
128.06213	11.0
129.06996	42.1
130.07759	2.8
131.04924	9.5
131.08557	39.6
131.09554	1.6
133.10088	1.3
137.05957	4.6
141.05865	2.0
141.06976	37.7
143.04912	2.6
143.08472	2.5
144.05704	5.2
145.06444	8.7
145.10115	2.1
146.07245	5.3
148.05226	1.2
155.06029	2.1
157.06476	22.5
158.07262	23.9
159.04411	5.3
159.08041	30.8
159.11603	1.3
160.05173	6.4
161.05998	1.2
161.09616	3.6
163.07521	1.6
163.39565	1.0
169.06441	16.3
169.07660	1.6
170.07272	7.6
171.08064	1.3
173.05965	4.1
173.09563	1.4
174.06750	79.3
175.07513	11.5
186.06740	20.1
187.07411	2.5
188.08325	3.9
189.09087	100.0
190.09445	5.1
191.10611	6.7
201.09088	40.1
201.10959	1.7
201.16357	1.3
202.09305	1.5
203.14195	1.3
219.10143	96.8
219.17398	6.5
220.10439	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	219.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17653	1.5
52.76767	1.3
53.03934	2.4
54.61558	1.4
55.01856	2.1
55.05505	8.6
57.03433	2.2
57.07073	2.9
59.04992	2.0
65.03942	1.6
67.05499	12.1
69.03410	3.9
69.07063	8.5
69.69445	7.3
71.04639	1.7
71.04996	18.1
75.50891	1.5
79.05489	11.7
80.59200	1.4
81.03406	2.6
81.07053	22.6
83.04968	3.0
83.08614	2.0
85.06538	3.4
91.05470	38.2
93.06454	1.8
93.07035	29.2
93.47509	1.5
95.04951	7.0
95.08601	23.6
97.06520	5.8
99.08072	1.7
103.05441	5.5
105.07024	64.0
107.04903	2.0
107.08593	25.8
107.11246	1.5
109.06506	4.1
109.10165	13.1
111.08053	2.8
115.05453	14.5
116.06219	5.5
117.06992	14.3
119.08570	35.8
121.06502	5.8
121.10126	17.1
123.08048	4.3
123.11678	3.2
125.09618	12.4
127.11173	1.9
128.06204	14.0
129.06090	3.1
129.06995	48.3
130.07739	6.5
131.04878	10.1
131.08557	59.9
133.06506	2.0
133.10123	76.9
135.08023	6.2
135.11705	9.4
137.05957	4.1
137.09601	2.9
139.11122	2.0
141.06966	40.5
142.07762	1.8
143.04836	2.7
143.08540	6.1
144.05692	8.1
144.09323	3.2
145.06493	10.2
145.10121	21.4
146.07239	5.0
147.07986	1.8
147.11681	10.1
149.09613	3.5
149.13210	4.1
151.03874	4.1
155.06009	2.7
157.06490	24.4
157.10078	2.7
158.07268	25.8
159.04439	2.4
159.08061	34.0
159.11687	29.5
160.05153	5.9
161.05954	2.0
161.09642	7.4
161.13225	11.4
163.07544	1.8
163.11150	5.8
163.14752	3.1
169.06480	15.4
169.07722	2.8
170.07283	7.8
171.07997	3.0
173.05946	6.2
173.09593	2.7
173.13225	10.9
174.06758	79.1
175.07556	15.8
175.14825	7.3
177.05495	3.2
177.09029	2.3
177.12747	6.1
177.16382	2.8
186.06741	20.8
187.07475	3.2
188.08282	5.6
189.09088	100.0
190.09514	1.9
191.07042	4.3
191.10690	9.4
191.14337	2.1
191.17944	3.5
201.09096	41.5
201.12741	2.9
201.16370	28.3
204.04210	2.1
204.07784	1.8
219.06760	13.2
219.10133	93.0
219.13774	9.0
219.17430	75.8
220.10464	5.0
220.17738	1.9
227.87015	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1014
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.01858	1.6
55.05503	2.8
57.03430	1.2
57.07084	1.1
67.05490	3.5
69.07063	2.3
69.37019	6.1
77.03926	0.9
78.98166	1.0
79.05473	3.8
81.03403	0.9
81.07038	5.1
83.04968	3.3
83.13173	0.9
87.40700	0.8
91.05476	19.6
92.91105	0.8
93.07054	6.7
95.04971	1.8
95.08636	5.0
97.06524	1.3
103.05435	5.5
104.06234	1.0
105.07019	9.8
107.04906	1.5
107.08591	10.4
109.06496	1.5
109.10114	2.8
111.04383	1.6
115.05437	13.2
116.06248	5.2
117.07016	8.9
119.04952	1.6
119.08578	7.3
121.06520	2.0
121.10156	5.5
123.08064	1.8
125.81648	0.9
128.06210	9.2
129.06999	39.3
130.07767	3.7
131.04938	10.1
131.08562	37.9
132.05679	5.4
132.08946	1.1
133.06462	2.3
133.10095	9.1
135.08043	11.1
135.11691	2.4
137.06007	4.9
141.06982	30.1
143.04956	1.7
143.08548	3.8
144.05673	9.0
145.06473	9.9
145.10130	5.8
146.07304	5.6
147.04384	1.2
147.08032	3.1
147.11633	2.6
148.05215	1.9
149.05960	1.8
149.09633	2.5
151.03882	7.4
155.06023	1.6
157.06479	17.9
157.07613	1.5
158.07249	18.2
159.04420	3.5
159.08054	29.6
159.11652	8.4
160.05205	8.6
160.08563	1.0
161.05916	3.0
161.09628	4.8
161.13205	3.3
162.06677	2.7
163.03854	1.1
163.07518	3.3
163.11163	1.3
168.05705	1.3
169.06439	11.6
169.07649	1.7
170.07190	6.2
173.05966	5.7
173.09587	3.1
173.13235	3.4
174.06754	61.9
175.07530	70.8
175.14821	1.6
176.04634	1.4
176.07983	2.3
177.05380	1.3
177.09050	3.5
177.12729	1.2
185.05971	1.8
186.06757	15.5
187.07492	6.3
188.08293	3.3
189.09093	76.4
190.09402	2.8
191.06970	3.3
191.09065	1.1
191.10619	7.2
191.14360	1.1
201.05429	1.4
201.09093	32.6
201.12833	2.0
201.16386	3.3
202.09482	1.6
203.14305	13.7
205.15852	3.9
219.06496	3.3
219.08272	3.6
219.10130	100.0
219.13747	7.8
219.17416	51.1
219.19037	0.9
219.20879	1.5
220.10490	2.7
220.13361	1.0
220.17998	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1015
Annotation	Methyl 2,2-dimethyl-2H-1-chromene-6-carboxylate
Peak:m/z	Relative Intensity
55.05505	0.6
60.23381	0.4
60.41967	0.5
63.62017	0.5
64.54123	0.4
67.05497	1.0
69.07076	0.7
71.13218	0.4
79.05479	0.8
81.07053	1.4
86.00907	0.5
91.05477	14.9
93.07040	2.1
94.40034	0.5
95.08601	1.9
102.48325	0.4
103.05486	1.1
105.07030	2.9
107.04988	0.8
107.08591	1.7
109.10130	0.5
114.45072	0.4
115.05459	3.2
116.06233	4.3
117.07003	2.0
119.08576	2.3
121.06538	0.8
121.10123	2.7
121.19838	0.4
127.85798	0.4
129.07005	5.5
130.07791	0.9
131.04938	1.5
131.08563	49.3
132.08894	1.1
133.06512	0.6
133.10121	1.7
134.03537	0.7
135.11732	0.5
137.05965	1.3
141.06985	6.5
143.04874	1.1
143.08566	0.6
144.05685	6.6
145.02831	0.7
145.06485	2.5
145.10150	3.1
147.04408	0.7
147.11674	1.3
149.05949	0.6
149.13257	0.6
157.06493	0.9
158.07248	2.9
159.08051	100.0
159.11618	5.1
160.08401	3.6
161.05956	3.2
161.09555	0.5
161.13214	1.9
162.03114	7.0
162.06769	0.9
163.03941	0.7
163.07570	0.5
163.11143	1.4
169.06386	2.3
169.07730	1.0
171.07948	0.6
172.13901	0.5
173.09621	1.3
173.13274	1.1
175.03951	0.5
175.07547	2.1
175.14853	0.7
176.08305	3.9
177.05466	12.1
177.09061	1.7
186.06775	1.9
187.07533	15.9
188.08176	1.5
189.05446	5.1
191.10658	43.5
192.10989	1.4
192.12888	0.5
201.09062	3.9
201.16373	3.3
203.14328	0.9
204.07813	17.3
204.09698	0.9
205.08160	0.6
219.10153	50.7
219.17406	12.8
220.10529	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1742
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
53.03936	2.7
55.01859	2.5
55.05511	12.0
57.03424	2.8
57.07073	1.7
59.04996	1.4
67.05225	1.4
67.05505	18.5
69.03408	3.4
69.07070	15.3
71.04639	1.9
71.04993	23.8
71.31114	1.8
71.31490	1.6
72.10986	1.3
79.05119	1.4
79.05499	19.7
80.94040	1.1
81.07057	40.1
83.04961	3.9
83.08604	4.3
85.06532	3.0
91.05476	38.5
91.05955	0.7
91.06046	1.3
93.06448	2.6
93.07043	52.6
95.04976	6.3
95.08026	2.3
95.08607	34.2
95.09212	1.9
95.55848	1.3
97.06529	9.8
97.10156	2.8
99.40549	1.3
103.05450	5.0
105.07030	71.3
107.04963	11.8
107.08593	33.1
109.06503	4.8
109.10146	17.4
111.08064	3.0
113.05965	2.6
115.05431	12.7
116.06242	5.7
117.07024	16.6
119.05022	1.3
119.08581	43.2
121.06499	4.3
121.10158	22.9
123.08059	9.6
123.11672	3.8
125.09634	13.5
127.11180	1.8
128.06209	11.5
129.07007	37.6
129.07965	1.9
130.04131	1.4
130.07716	4.7
131.04948	8.5
131.08566	58.4
132.05667	1.8
132.08849	1.9
133.06557	2.6
133.10126	74.0
134.10512	2.4
135.08058	5.9
135.11685	14.0
137.05936	3.6
137.09625	3.3
139.11186	4.3
141.06981	25.4
142.35316	1.4
143.04892	2.3
143.08551	5.0
144.05690	8.0
144.09375	3.3
145.06509	11.8
145.10120	39.2
146.07239	5.2
147.04369	1.6
147.08034	3.0
147.11678	17.8
149.05972	1.6
149.09641	10.4
149.13229	6.1
151.03918	2.4
151.11108	2.3
157.06487	18.3
157.10010	2.5
158.07260	23.0
159.04398	5.3
159.08063	32.3
159.11685	29.0
160.05205	6.1
160.08395	1.3
161.05972	5.8
161.09645	3.9
161.13264	14.1
162.06754	6.2
163.07530	2.8
163.11171	9.2
163.14891	1.5
168.05730	1.7
169.06458	15.1
169.07710	1.8
170.07248	6.1
173.05978	4.5
173.09624	7.7
173.13251	14.4
174.06755	57.7
175.07526	17.8
175.11165	1.8
175.14824	7.0
176.08273	4.0
177.05556	2.0
177.09074	4.6
177.12793	3.0
177.16377	1.9
177.69447	1.5
186.06731	15.0
187.07532	6.1
188.08296	3.9
189.09105	71.0
190.09610	4.3
191.07043	2.6
191.10638	10.6
191.14316	3.2
191.17950	4.3
201.05527	1.7
201.09077	32.5
201.12920	1.8
201.16365	42.6
202.09364	1.6
203.14304	4.9
204.07697	2.0
205.15839	2.5
211.16928	1.4
219.06555	8.0
219.10152	100.0
219.13449	12.6
219.17430	98.8
220.10519	5.7
220.17883	3.2
221.54871	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1744
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
54.27111	1.0
55.01863	1.2
55.05515	8.9
57.07067	3.3
67.05507	17.8
69.07065	10.7
71.04996	37.1
77.03925	1.5
79.05500	11.7
81.07057	34.2
83.04988	3.3
83.08623	2.7
85.06532	4.3
91.05484	19.9
92.05775	1.0
93.07048	29.4
95.04964	3.2
95.08035	2.5
95.08612	40.8
97.06526	10.4
103.05444	1.1
105.07032	64.0
107.08595	26.6
109.06538	7.0
109.10162	15.9
111.08076	3.8
115.05421	2.3
117.06995	9.2
119.08587	56.3
121.06480	2.8
121.10149	18.4
123.08067	13.1
123.11723	6.0
125.09637	13.1
128.06145	1.3
129.06981	2.2
130.07776	1.2
131.08575	21.2
133.10132	96.0
134.10458	2.0
135.08018	2.6
135.11720	8.7
137.09602	5.8
139.11108	1.6
143.08571	2.2
144.09401	1.8
145.10132	24.3
145.11255	2.4
147.11699	15.3
149.09616	4.2
149.13228	5.6
150.10429	1.7
151.11151	2.5
157.10114	1.8
158.10883	1.5
159.08015	2.5
159.11705	33.1
161.13263	14.9
163.11168	4.7
166.42014	1.1
173.09628	1.1
173.13272	18.5
174.06766	2.8
174.13681	1.6
175.14806	9.6
177.05431	1.3
177.12779	3.7
177.16449	1.6
189.09163	2.0
191.14307	4.6
191.18019	2.4
201.09119	2.0
201.16374	24.0
203.14339	1.3
219.06497	3.0
219.10202	4.8
219.13867	3.4
219.17442	100.0
220.17859	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	219.1743
Annotation	4,11,11-Trimethyltricyclo[6.3.1.02.5]dodec-7-en-6-ol
Peak:m/z	Relative Intensity
52.34390	0.3
53.03931	0.7
55.01865	0.6
55.05510	3.9
57.07076	1.8
59.04977	0.5
67.05503	3.6
69.03429	3.6
69.07059	6.4
69.16212	2.5
69.16613	0.8
71.04984	0.7
71.08606	0.4
71.18052	0.3
79.05495	4.2
81.07058	4.6
83.04982	0.9
83.08626	3.9
85.06518	0.8
91.05462	5.0
93.07043	9.3
95.08598	5.5
97.06527	1.6
97.10128	0.8
105.07024	8.7
107.04957	0.8
107.08587	18.6
109.06551	1.8
109.10146	4.3
111.08088	1.0
115.05527	0.5
117.07005	3.7
119.07752	0.7
119.08581	12.5
121.06497	2.7
121.10143	13.7
122.10490	0.5
123.08076	2.7
123.11728	1.8
125.09641	0.6
129.07040	0.6
130.07773	0.9
131.08551	4.4
133.10138	6.8
135.08078	1.9
135.11679	6.2
137.09612	2.5
142.07761	0.6
143.08543	1.6
144.09300	0.8
145.10127	9.3
147.08038	1.4
147.11656	3.0
149.09637	3.6
149.13266	1.5
157.10121	1.3
158.10857	0.9
159.11699	10.7
161.09624	3.5
161.13252	3.4
163.07486	0.5
163.11180	12.9
164.11539	0.6
171.11627	0.7
172.12495	0.5
173.13269	2.8
175.11139	0.5
175.14828	5.0
176.11957	1.7
177.12743	3.3
177.16409	2.7
185.08264	0.4
186.14035	0.7
189.16376	1.4
191.17960	1.5
201.16397	7.5
203.14264	0.7
204.07817	0.6
204.15131	1.4
219.17435	100.0
220.17798	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	219.1744
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
53.03928	1.3
55.05509	8.6
57.07074	3.0
57.32794	0.9
58.07406	1.0
67.05505	9.1
69.07066	6.1
69.17048	6.1
69.17466	2.6
69.82999	0.9
70.06581	4.3
71.04987	14.3
71.06917	2.3
71.08607	1.7
79.05500	11.3
81.07059	37.9
83.04976	4.8
83.08620	1.8
88.07644	6.1
89.07950	3.1
91.05478	26.9
92.24480	0.9
93.07049	21.2
95.04978	1.8
95.08607	11.7
97.06522	5.0
97.10149	2.8
102.09193	1.8
103.05424	1.5
103.09525	1.2
105.07028	72.0
106.07325	1.4
106.08679	2.8
107.08572	19.5
107.09235	1.0
109.06517	1.3
109.10183	6.7
115.05449	1.8
117.07021	6.1
118.07732	2.1
119.08589	14.0
121.06495	3.9
121.10152	11.1
123.08078	2.4
123.11712	2.0
125.09624	20.1
129.07028	1.6
130.07799	1.7
131.07642	1.6
131.08565	15.9
133.10132	100.0
134.10464	1.1
135.11717	5.2
139.11189	1.5
143.08501	1.3
144.09352	1.4
145.10133	16.5
147.11696	12.5
149.13269	2.4
151.11179	1.3
157.10150	1.1
157.17809	1.7
158.07260	1.3
159.08160	1.5
159.11703	15.6
161.13266	8.8
163.11174	3.0
173.13326	1.8
174.06761	1.1
175.14838	1.9
177.12781	1.7
187.07452	1.1
191.17889	1.2
201.16380	15.3
201.20403	3.5
219.10187	2.3
219.17462	22.5
219.21483	43.0
220.21732	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1743
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
53.03950	1.1
55.05519	8.0
56.18219	1.5
58.44461	1.3
62.98956	1.0
67.05500	5.4
69.03421	1.6
69.07051	4.7
70.06588	1.4
70.17949	1.8
70.18312	4.1
71.04988	12.1
78.53822	1.2
79.05499	13.8
81.07060	29.8
83.04967	4.0
83.08636	1.7
85.06563	1.7
88.07633	1.6
91.05479	20.6
93.07056	15.6
95.04966	2.1
95.08608	10.0
97.06531	5.0
97.10148	2.7
103.05499	1.3
105.07033	58.2
107.08586	13.2
109.06454	1.7
109.10155	7.2
115.05506	1.4
117.07008	3.8
119.08594	11.5
121.06512	2.7
121.10141	9.5
123.08003	1.6
125.09646	20.3
127.53599	1.2
130.07700	1.5
131.08583	9.9
133.10135	100.0
134.10408	2.3
135.11703	2.8
139.11151	1.6
143.08549	1.3
144.09392	1.4
145.10120	14.6
147.11676	11.3
149.13358	1.5
152.76430	1.2
157.10098	1.6
159.11703	13.2
161.13254	7.5
163.11179	1.6
173.13304	2.5
175.14832	2.3
177.16495	2.0
191.17996	1.4
201.16386	13.4
219.17438	18.7
219.21513	13.3
220.21753	1.1
220.93210	1.1
229.11462	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1743
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
50.27833	1.0
50.47030	1.1
53.03936	2.9
55.05515	9.7
57.07092	1.9
67.05502	8.1
69.07068	5.5
69.27785	8.5
69.28119	1.7
71.04990	14.1
76.66245	1.0
77.25478	1.0
79.05489	11.5
79.73901	1.0
81.07056	32.6
83.04969	2.8
83.08611	1.6
88.08201	1.0
91.05483	23.6
93.07040	20.4
94.07892	1.0
95.08607	11.9
97.06542	5.2
97.10184	2.6
98.22607	2.0
103.05470	1.3
105.07027	72.7
106.07325	1.8
107.08591	16.4
109.06547	1.7
109.10164	9.2
115.19851	1.2
117.07010	5.0
118.07823	1.2
119.08572	15.4
121.06516	3.9
121.10130	12.1
122.37772	1.1
123.08093	2.7
123.11696	2.4
125.09634	26.5
130.07788	1.3
131.08563	10.8
133.10127	100.0
134.10454	3.3
135.11670	4.8
139.11159	1.6
143.08578	1.5
144.09360	2.3
145.10117	19.0
147.11693	10.3
149.13231	1.2
158.10933	1.7
159.11670	16.9
161.13257	10.7
163.11238	1.7
173.13289	2.2
175.14822	1.6
177.12711	2.1
191.18054	1.6
201.16360	15.4
202.16635	1.2
219.17444	24.0
219.21510	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	220.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.3
55.05507	1.2
57.07072	7.9
59.04998	6.1
67.05504	8.2
69.07076	6.5
70.02949	8.9
70.37762	1.9
72.04517	17.4
73.02918	4.0
73.06541	0.6
73.41442	0.6
74.02427	2.1
75.04474	1.0
79.05499	0.8
81.07051	0.7
83.04990	2.1
85.06033	0.8
85.06541	12.0
86.09710	1.8
87.08109	1.8
90.05553	100.0
95.04968	7.1
96.08130	3.1
98.02415	16.7
100.03976	2.7
100.29802	0.6
103.07582	9.0
112.07621	0.8
113.06000	2.9
116.03452	13.6
119.12137	0.6
124.07586	18.5
131.07005	1.8
135.08012	0.6
142.08626	8.4
145.10121	1.4
156.10143	1.1
158.11732	0.8
159.02916	0.8
160.03268	1.3
160.09686	2.6
166.08638	2.7
174.11298	2.9
177.12721	1.3
184.08003	0.8
184.09686	20.7
202.10741	29.4
203.11153	1.1
204.14621	1.4
205.15874	17.0
220.11787	24.3
220.17920	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	220.118
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
55.01870	1.0
55.05513	0.9
57.07076	7.6
57.15106	0.6
59.05000	4.3
67.05505	7.5
69.07068	4.3
69.45177	2.8
70.02948	6.8
72.04517	16.9
73.02923	4.0
74.02449	1.6
75.74356	0.6
79.05483	0.9
81.07055	1.1
83.04977	0.8
84.30503	0.5
85.06542	12.1
86.09700	1.7
87.08091	1.7
90.05554	100.0
91.05894	1.2
93.36469	0.5
95.04963	6.5
95.60139	0.6
96.08135	2.5
98.02413	17.7
98.06033	0.7
100.03963	2.5
103.07590	8.0
113.06014	3.3
116.03445	13.5
124.07590	18.2
131.07004	0.8
142.08627	7.9
154.71252	0.6
156.10211	0.9
158.11783	2.7
160.09746	1.6
166.08620	2.2
174.11256	3.0
177.12651	0.6
184.09689	19.9
202.10730	26.5
205.15880	6.4
220.11795	23.9
220.17955	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90476	0.6
55.01874	0.8
55.05507	1.7
57.07071	7.4
59.04999	5.8
65.03919	0.6
67.05503	7.3
69.07072	4.7
70.02956	8.5
70.48525	1.6
72.04515	18.1
73.02924	4.1
74.02443	1.4
77.98373	0.6
81.07065	0.7
82.09324	0.5
83.04980	1.3
85.06544	10.5
86.09713	1.3
87.08099	1.7
90.05553	100.0
94.06573	0.6
95.04958	8.0
96.08141	2.2
96.40173	0.6
96.67706	0.6
98.02409	17.3
98.22701	0.8
98.97616	0.8
99.54297	0.6
100.03970	2.5
103.07571	9.0
113.05991	3.2
116.03449	14.9
124.07589	19.3
130.06525	3.9
130.08646	0.7
131.07025	1.2
132.04448	2.0
132.41652	0.6
142.08646	9.3
156.10217	1.1
157.07596	2.0
158.06030	3.5
158.11775	0.8
160.09685	1.7
166.08647	2.3
174.11235	2.5
175.08685	5.2
177.12775	1.0
184.09683	20.9
185.09990	0.8
192.02858	1.0
200.36176	0.5
202.10742	26.9
205.15855	8.8
220.11794	25.5
220.17918	3.4
221.09335	1.0
238.57640	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0806
Annotation	6,7-Dimethoxy-4-methylcoumarin
Peak:m/z	Relative Intensity
67.05508	0.1
71.10310	0.2
71.25548	0.1
79.05477	0.4
81.03413	0.3
81.07047	0.2
91.05468	0.3
93.07030	0.3
95.04926	0.1
105.07032	0.3
107.08597	0.3
108.47104	0.1
119.08581	0.3
121.10184	0.1
132.05641	0.1
133.06503	0.3
137.05954	0.4
141.05406	0.2
147.08072	0.1
149.06021	0.2
150.06749	0.4
159.11569	0.1
160.05182	0.1
161.05934	1.4
161.09602	0.2
161.13284	0.2
165.05415	0.2
167.03407	0.5
175.07582	0.3
175.14960	0.1
177.05464	0.3
178.06236	16.0
179.06590	0.5
189.05469	0.2
197.07974	0.1
203.14426	0.2
206.05719	10.2
206.16144	0.1
207.06194	0.5
219.06506	0.2
221.08061	100.0
222.08411	3.8
237.06720	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	221.0808
Annotation	4,6-Dimethoxy-5-methylcoumarin
Peak:m/z	Relative Intensity
51.71852	0.2
53.03962	0.2
53.34217	0.2
55.00182	0.2
57.07073	0.4
59.17724	0.2
67.01868	0.2
67.05497	0.6
67.63583	0.2
68.99799	0.3
69.07069	0.3
69.27518	0.3
69.27929	1.1
71.04974	0.3
79.05490	0.4
81.07051	1.2
84.83306	0.2
85.06535	1.3
91.05487	0.8
93.07044	0.8
95.04954	0.2
95.08607	0.8
98.22572	0.4
103.05522	0.2
105.07026	1.6
106.83644	0.2
107.04962	0.2
107.08581	0.9
109.06515	0.3
109.10129	0.4
111.04416	0.6
115.05473	0.4
117.07041	0.5
119.08576	2.3
121.06489	0.3
121.10104	0.5
123.08086	0.2
124.05215	0.3
128.06212	0.3
129.06967	0.4
131.04980	0.2
133.06480	0.3
133.10133	0.8
135.07997	0.3
135.11656	0.4
137.06033	0.3
137.09618	0.2
143.08609	0.2
145.10114	0.3
147.04434	0.3
147.08055	0.4
147.11684	0.8
148.05173	1.2
149.05936	0.6
149.09624	0.6
150.06706	0.4
151.03914	0.3
151.07507	0.2
157.10114	0.2
160.05186	0.4
161.05959	1.6
161.09627	0.5
161.13278	0.3
162.06764	0.3
163.03850	1.6
163.14816	0.2
165.06926	0.3
165.35210	0.2
175.07529	0.5
175.11127	0.4
175.14790	1.5
176.03139	0.3
176.04681	4.6
177.05458	28.5
177.08913	2.2
178.05998	1.3
189.05444	0.8
193.08578	0.3
203.06944	0.2
203.10669	0.3
203.14337	0.4
203.17909	0.4
204.13792	0.2
205.04962	6.5
206.05724	43.7
206.16217	0.8
207.06097	1.3
221.08063	100.0
221.18903	0.7
221.21884	0.5
222.08400	3.3
222.10809	0.3
229.52928	0.2
239.09645	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0809
Annotation	Siderin
Peak:m/z	Relative Intensity
53.27280	0.2
55.01875	0.5
55.05513	1.2
57.07067	0.6
59.04980	0.3
67.05507	2.1
69.03454	0.2
69.07071	1.8
71.04996	0.7
79.05483	1.5
81.03430	0.8
81.07057	4.0
83.04994	0.3
83.08611	0.4
85.02885	0.3
85.06550	0.2
91.05472	1.6
93.06520	0.3
93.07049	2.7
95.04970	2.2
95.08607	4.0
96.09030	0.1
97.06546	0.5
97.10177	0.4
99.08108	0.3
105.07032	4.2
105.07738	0.3
107.04945	0.3
107.08598	2.5
109.06518	0.7
109.10166	3.3
111.04440	0.2
111.08099	0.6
114.21517	0.2
115.05482	0.3
117.07020	0.8
119.04964	0.5
119.08580	4.6
121.10143	2.6
122.03634	0.2
122.70532	0.2
123.04418	0.5
123.08099	0.6
123.11698	1.0
125.09632	0.3
125.65090	0.2
128.06223	0.4
129.06995	0.3
131.04916	0.2
131.08578	0.3
133.06514	0.5
133.10136	2.8
135.04492	0.2
135.08101	0.3
135.11682	1.5
137.05983	3.2
137.09633	0.4
137.13287	0.3
138.06432	0.2
142.07741	0.2
143.08563	1.2
145.06450	1.1
145.10112	1.0
147.04343	0.8
147.08037	0.5
147.10573	0.3
147.11690	3.3
149.09601	0.3
149.13280	0.6
151.03891	0.7
151.07552	0.7
151.11156	0.3
153.01820	0.5
157.10182	0.2
159.08047	0.2
159.11710	0.5
159.56110	0.1
160.05283	0.3
161.06020	0.9
161.07166	0.2
161.09604	1.4
161.13257	2.4
162.06754	0.9
163.03917	0.6
163.07571	0.2
163.11226	0.5
163.14804	0.9
165.01845	0.6
165.09142	0.5
165.12767	0.3
167.42813	0.1
171.07977	0.3
174.06781	0.6
175.03958	0.2
175.07544	0.6
175.11198	0.5
175.14801	1.7
177.05434	0.3
177.09068	0.8
177.16396	0.4
178.02582	0.3
178.06271	0.4
178.07747	0.2
179.03450	0.9
179.07027	0.5
185.13211	0.7
188.04749	0.2
188.08266	0.7
189.09119	1.5
190.06149	0.2
191.03389	0.2
193.08583	0.5
193.15846	0.3
203.07027	0.4
203.10622	1.8
203.14330	1.0
203.17931	2.9
204.18311	0.2
205.04959	16.0
206.05736	23.2
206.16260	0.3
207.06100	0.8
221.08081	100.0
221.11687	5.9
221.15094	2.0
221.18948	4.0
222.08438	3.2
228.75740	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0808
Annotation	Montadial A
Peak:m/z	Relative Intensity
55.01881	0.8
62.16171	0.4
67.05487	0.8
68.99781	2.3
69.03414	1.5
69.41066	1.2
69.41473	1.5
79.05484	0.7
81.07069	0.7
83.04945	0.5
91.05463	2.2
93.06979	0.6
93.70411	0.4
95.08573	0.7
105.07029	5.4
107.04932	1.4
107.08581	0.8
109.06470	0.5
111.04394	0.4
115.05449	0.5
117.07010	0.6
119.04926	0.6
119.08563	2.4
121.06512	0.8
123.04434	5.0
123.08064	1.4
124.05170	0.4
125.09550	0.5
128.06232	1.4
129.07001	5.9
131.04944	0.4
131.08655	0.5
132.05676	1.4
133.06499	1.4
135.04391	1.0
135.08031	1.8
137.05971	14.9
137.07007	0.8
147.04439	0.9
147.08055	5.7
149.05960	1.4
150.06779	1.6
151.03926	2.9
151.07545	9.4
157.06479	2.1
159.08064	0.6
160.03873	0.5
160.05185	8.2
161.05945	4.1
162.06671	0.6
163.03917	2.3
163.07497	3.0
164.04736	0.5
165.09109	9.9
166.09456	0.5
174.95746	0.4
175.07536	34.3
176.07899	1.0
177.05447	3.8
177.09058	0.9
178.06244	22.7
179.07031	7.7
191.07120	0.7
193.08597	100.0
194.08937	3.2
203.07033	13.0
204.07341	0.7
221.08076	47.4
222.08469	1.5
242.01305	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	221.092
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
55.05489	0.4
67.05477	0.9
69.07844	1.1
69.08256	2.7
77.21605	0.4
79.59772	0.4
81.06995	0.7
82.02949	2.2
90.05573	0.5
91.05441	1.8
94.06567	3.5
95.08595	0.4
98.23338	0.7
98.97571	1.4
101.50816	0.5
103.05449	0.8
104.04964	0.6
105.07043	1.0
107.08608	0.4
115.05430	1.5
116.98589	0.7
119.08579	0.9
120.08075	0.6
121.06377	0.4
123.04430	0.4
128.06203	1.7
129.06984	2.9
130.06523	55.0
131.04868	0.7
131.06853	1.4
132.04446	39.6
133.04773	0.9
133.06476	1.0
137.05959	0.6
143.04890	0.6
145.06482	0.5
147.04396	0.9
147.08052	1.3
147.09131	0.6
148.07582	1.2
149.02376	0.4
149.06021	0.4
151.07516	0.6
156.06779	0.5
157.06459	2.2
157.07610	21.5
158.06009	77.8
159.06410	2.0
160.05214	1.0
161.05952	2.3
175.08670	100.0
176.07048	2.6
176.09045	2.1
177.05431	0.5
177.09100	1.6
178.13028	0.5
185.06044	1.6
186.05467	1.9
193.08644	1.2
203.06816	4.0
204.06532	3.7
204.22766	0.4
206.16203	3.2
221.09285	21.3
221.12669	0.8
221.18515	0.7
239.09534	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65946	0.4
53.03936	2.2
55.01878	1.1
55.05510	15.8
57.03426	1.3
57.06844	0.5
57.07075	4.5
59.04992	1.7
64.48624	0.4
65.03939	1.6
67.05501	12.6
69.03426	4.5
69.06715	0.6
69.07070	12.0
70.64517	0.9
71.04993	20.2
73.06549	0.6
77.03944	0.7
78.04669	0.6
78.56068	0.4
79.05492	20.7
81.07056	56.4
82.07391	0.6
83.04978	4.1
83.08617	6.1
85.02890	1.4
85.06550	2.2
87.08094	0.6
91.05476	24.1
93.07046	37.8
94.07358	0.7
95.04984	2.5
95.08607	29.4
96.08937	0.4
96.36679	0.4
97.06525	2.7
97.10164	2.9
99.08100	4.3
103.05458	2.6
104.06257	1.7
105.04554	0.7
105.07030	42.2
106.07337	1.1
107.04935	1.6
107.08594	73.5
108.08933	1.2
109.06518	4.4
109.10156	24.4
111.08059	2.6
111.11707	0.7
113.02368	3.8
113.09660	1.3
115.05453	6.4
116.06267	1.1
117.06175	0.8
117.07018	14.3
119.04906	1.1
119.08582	56.6
120.08858	0.9
121.02857	1.5
121.06506	30.3
121.10143	12.3
123.08080	5.1
123.11709	17.9
123.12369	0.3
123.12627	0.6
125.09623	1.7
127.11193	4.4
128.06215	2.9
129.07011	3.5
130.07768	0.9
131.04929	2.7
131.08575	4.4
132.05722	3.8
132.09344	0.8
133.06529	3.2
133.10130	36.3
134.10463	0.8
135.04428	0.8
135.08109	4.2
135.11690	100.0
135.28001	0.5
136.12036	1.7
137.05978	6.4
137.09630	3.7
137.13231	2.5
139.11137	1.3
142.07756	2.9
143.08559	4.2
144.05661	1.2
144.09328	2.5
145.05342	0.5
145.06490	8.9
145.10126	5.1
146.07283	5.9
147.04407	1.8
147.08063	7.0
147.11681	64.3
148.12018	1.8
149.02348	12.4
149.05922	0.6
149.09618	1.0
149.13257	8.5
151.03879	1.0
151.07555	1.3
151.11145	4.9
153.01845	0.6
153.12764	0.6
157.10144	3.7
159.08041	1.3
159.11691	5.9
160.05197	4.9
160.08841	8.6
160.12372	0.8
161.05988	3.2
161.08598	0.3
161.09616	9.9
161.13258	11.6
162.06757	9.5
162.08046	0.8
163.07516	1.4
163.11145	0.5
163.14839	5.4
163.70078	0.5
165.05499	3.4
165.06721	0.7
165.09097	1.0
165.12738	2.8
167.07039	0.5
171.07964	2.3
172.08786	0.5
173.06082	0.7
175.07550	80.5
175.11171	52.7
175.14627	3.4
176.07964	2.3
176.11461	2.1
177.05469	1.0
177.09120	4.9
177.12712	1.0
177.16379	3.0
178.06195	0.7
179.06934	0.8
179.10658	1.7
179.14363	0.9
185.09645	1.0
185.13234	0.6
187.12332	1.3
188.08359	4.3
189.09140	0.9
190.06297	0.7
193.05037	0.9
193.08603	3.0
193.10402	0.4
193.12210	3.0
193.19496	0.5
202.60649	0.4
203.10667	33.6
203.17950	34.7
204.10973	1.0
204.18254	0.8
205.04938	4.0
206.05724	6.1
221.06326	0.8
221.08127	33.0
221.11688	35.0
221.15356	2.4
221.18997	52.6
222.08455	1.5
222.11169	2.1
222.19334	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.117
Annotation	Flossonol
Peak:m/z	Relative Intensity
55.01861	2.7
55.05509	1.7
55.99879	1.1
57.07055	4.2
59.04983	3.3
59.21753	1.2
67.05495	5.7
69.07062	4.8
71.08627	1.8
74.86021	1.3
79.05486	4.6
81.07052	11.8
89.72182	1.2
89.88280	1.3
91.05469	5.7
93.07027	8.2
94.06566	3.0
95.04975	2.4
95.08602	7.5
105.07036	10.6
107.04942	1.8
107.08570	5.4
109.06517	2.0
109.10116	3.6
115.05434	4.4
117.07026	7.9
119.04949	2.5
119.07960	1.1
119.08601	9.9
120.86188	1.3
121.06490	2.6
121.10149	3.1
122.03633	3.3
123.08079	2.3
123.11677	1.5
128.06229	16.7
129.07013	1.9
131.04918	3.4
131.08490	1.6
133.06471	6.1
133.10120	9.1
135.11661	6.2
137.05975	57.6
137.09593	1.9
142.07700	2.0
143.08559	41.9
144.05698	1.8
145.06477	19.2
145.10110	2.0
146.07234	4.0
147.04410	6.2
147.08055	3.2
147.11702	3.7
148.05225	1.6
149.05966	2.8
151.03937	8.0
151.07501	7.8
153.05492	2.7
157.06514	2.4
159.07993	2.5
160.05177	3.2
160.08846	1.9
161.05989	10.3
161.09608	6.7
161.13257	5.4
162.06744	16.1
163.07495	2.0
163.14815	1.5
164.04695	2.7
164.08330	10.2
165.05461	2.4
165.06943	2.4
165.08932	1.8
171.08046	28.3
172.08719	2.7
173.05977	2.8
174.06761	4.5
175.07516	5.5
175.11174	3.1
175.14777	3.8
177.05426	1.8
177.09097	13.2
178.06212	2.2
179.06982	5.8
179.08412	1.5
179.10660	3.9
185.13054	1.4
188.08328	16.3
189.09096	34.2
190.09561	2.3
192.07819	3.1
193.12032	1.5
203.06868	1.6
203.10667	32.2
203.14261	2.5
203.17944	4.8
204.11006	2.2
206.05666	1.7
206.10910	1.5
206.16232	3.4
221.08078	5.3
221.11710	100.0
221.15314	7.3
221.18881	7.9
222.11983	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	221.1172
Annotation	Flossonol
Peak:m/z	Relative Intensity
53.03949	0.9
55.01872	1.1
55.05508	0.8
57.07089	0.5
59.05005	0.6
67.05489	1.6
67.23783	0.5
69.03440	1.0
69.44684	2.9
70.15810	0.5
79.05482	2.4
81.07030	0.6
85.02916	0.9
90.50215	0.5
91.05475	12.2
93.07031	1.9
95.04964	1.2
95.08594	0.7
97.06525	0.8
97.59595	0.5
98.23316	0.8
103.05447	2.9
104.06245	2.8
105.07022	9.1
107.04959	3.3
107.08568	0.7
109.06544	0.8
110.07296	0.5
111.04416	0.5
115.05460	11.5
116.06244	1.0
117.07016	18.2
118.07342	0.8
119.04920	2.9
119.08576	5.0
121.06517	5.3
123.08106	0.6
127.05563	0.5
128.06224	15.0
129.07056	3.8
130.07729	0.5
131.04958	3.8
131.08566	1.4
132.05721	4.9
133.06488	5.5
133.10109	2.0
134.07253	1.2
135.08047	2.2
135.11667	0.5
137.05986	3.8
141.07028	0.9
142.07733	0.6
143.04956	0.5
143.08566	10.2
144.05722	1.4
145.06488	10.5
145.10138	2.7
146.07274	6.4
147.04411	1.9
147.08049	8.9
148.05109	0.5
149.05981	1.5
149.09605	1.7
151.07541	1.9
153.06940	0.8
155.06024	1.2
155.08565	0.6
157.10178	0.6
158.07243	1.1
159.04425	3.0
159.08070	2.8
160.05193	6.5
160.08859	5.9
161.05991	5.8
161.09621	8.5
161.13268	0.7
162.06760	12.4
163.07504	2.2
164.08333	0.9
165.06926	0.7
165.09183	1.9
170.07274	0.7
171.08057	3.6
172.08832	1.6
173.05963	1.9
174.06760	2.2
175.07542	100.0
175.11082	12.0
176.07962	3.2
177.09105	24.2
178.09508	0.9
179.07060	2.8
179.10579	0.7
187.07556	1.0
188.08342	4.8
189.09058	0.7
193.08600	2.9
196.30145	0.4
203.06903	1.7
203.10669	28.6
204.10994	1.3
206.16121	0.6
221.08104	3.6
221.11720	50.5
222.12050	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1174
Annotation	Aristelegone B
Peak:m/z	Relative Intensity
52.25871	0.6
53.03963	0.6
55.01882	0.9
55.05511	2.8
57.03453	0.6
57.07082	0.9
59.31359	0.6
67.05505	4.1
69.03435	3.2
69.07088	1.9
69.36141	4.3
71.04997	13.5
72.14147	0.6
79.05506	5.4
81.07058	13.0
81.07505	0.9
83.04984	1.1
83.08627	0.7
85.02927	0.6
85.21700	0.6
91.05486	10.9
92.05836	0.6
93.07045	11.1
95.04987	2.7
95.08607	13.0
97.06560	1.1
97.10201	0.6
99.08075	0.8
99.72169	0.5
103.05493	1.1
105.07032	20.5
107.04958	6.3
107.08599	12.0
109.06523	7.1
109.10160	3.8
111.04409	0.6
111.08107	2.2
115.05464	2.9
117.07026	5.2
119.04949	0.8
119.08585	25.0
120.08964	0.7
121.06501	3.6
121.10133	3.2
123.04435	0.8
123.08070	1.4
123.11736	2.2
125.06003	0.7
127.11181	1.2
128.06264	2.8
129.06984	6.6
130.07808	1.0
131.04950	2.3
131.08568	12.8
132.05826	0.6
133.06502	3.7
133.10136	15.7
135.08060	5.9
135.11690	10.0
137.05949	3.1
137.09656	0.8
139.07529	1.7
141.07027	2.3
142.07780	29.9
143.08578	4.0
144.09349	2.4
145.06490	3.8
145.10127	5.5
146.07248	1.1
147.04393	0.9
147.08069	5.0
147.11687	9.9
149.05960	0.9
149.09625	2.7
149.13284	2.5
151.03946	3.2
151.07559	1.5
151.11133	1.0
153.05467	5.1
157.10133	66.9
158.10477	3.1
159.08038	1.1
159.11708	9.0
160.05164	1.4
160.08861	2.2
161.05994	5.1
161.09625	4.8
161.13280	3.0
163.07524	4.0
165.09135	1.2
165.12704	1.1
171.08041	2.2
173.06073	0.7
174.06775	0.8
175.07681	6.1
175.11192	100.0
176.11490	3.5
177.05550	0.9
177.09193	2.8
178.06250	1.5
179.03416	5.6
179.07025	1.6
179.10681	1.1
180.07854	0.7
185.09610	1.0
188.08307	1.4
189.05522	0.9
191.07062	1.4
193.08618	6.9
193.12250	24.3
194.12502	0.8
203.07033	2.3
203.10661	8.5
203.14366	0.6
203.17943	6.6
206.05737	0.7
221.06053	0.8
221.08189	9.8
221.11707	38.0
221.15312	2.2
221.18990	12.1
222.12094	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.3
58.07456	0.2
58.27600	0.2
58.38555	0.2
64.12428	0.2
67.05495	0.2
69.03433	0.2
69.57127	1.1
79.05492	0.4
81.07043	0.4
83.08531	0.2
87.88239	0.2
91.05455	1.5
93.07040	0.4
95.05022	0.3
95.08602	0.2
95.87777	0.2
98.23310	0.2
103.05453	0.3
105.07030	0.8
107.08585	0.4
109.02933	0.2
109.06486	0.3
113.19822	0.2
115.05423	1.6
115.70856	0.2
116.06223	0.6
117.07024	4.6
119.04904	0.5
119.08582	0.8
121.06493	0.4
121.10181	0.3
123.08008	0.2
128.06209	1.2
129.07014	0.3
131.04910	0.4
131.08545	0.2
132.05646	0.2
133.06458	1.3
133.10056	0.3
134.07283	1.0
135.04398	0.3
135.08060	0.8
137.05969	0.4
143.08562	0.9
144.05696	0.6
145.06450	0.9
147.04366	0.5
147.08061	0.5
147.11752	0.3
149.05965	0.3
149.09589	0.3
151.03903	0.9
159.11635	0.2
160.05182	0.5
161.05956	1.6
161.13277	0.2
162.06750	6.2
163.03937	0.5
165.06993	0.4
171.08008	0.6
175.03886	0.2
175.07541	3.2
175.11185	0.5
177.09099	100.0
178.06180	0.2
178.07861	0.2
178.09441	3.8
178.11017	0.2
188.08430	0.2
189.09122	0.2
190.06271	0.4
193.08614	0.8
203.06931	0.3
203.10674	0.9
206.05737	0.5
206.16223	0.7
221.05957	0.5
221.08067	1.5
221.09244	0.2
221.09885	0.4
221.11734	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1171
Annotation	Flossonol
Peak:m/z	Relative Intensity
53.57165	1.2
55.05509	3.2
57.07060	2.3
58.88041	1.2
59.05008	2.1
67.05493	5.1
69.07068	6.6
69.25718	10.0
71.04984	2.4
79.05471	3.2
81.07049	11.8
83.08620	3.0
91.05476	4.0
93.07010	6.8
95.04998	1.5
95.08602	10.7
97.10133	1.4
103.05493	2.6
104.06242	2.6
104.48328	1.4
105.07013	8.7
107.04993	1.6
107.08583	9.8
109.06512	2.3
109.10144	11.9
115.05376	1.5
117.06984	2.0
119.08575	10.0
121.06529	2.8
121.10122	6.4
123.08075	2.3
123.11681	9.3
125.09594	1.4
128.06241	2.3
129.06943	2.5
130.11546	1.3
131.04906	4.0
131.08527	2.4
132.05748	3.3
133.06464	4.3
133.10146	9.4
135.11678	5.5
135.15488	1.3
136.05237	2.4
137.05978	20.6
137.09628	4.3
143.08534	4.0
144.44492	1.6
145.06491	8.4
147.04324	1.6
147.08041	2.6
147.11693	6.1
149.05983	11.1
149.13176	2.1
151.07539	10.1
151.11166	6.2
151.14755	1.8
155.81375	1.3
157.06441	1.6
158.47087	1.3
161.05997	2.5
161.09598	2.6
161.13258	3.7
162.06757	6.0
163.07555	2.1
163.14807	1.8
164.08331	100.0
165.08847	3.9
171.08081	2.8
172.08847	5.1
173.05988	2.0
175.07576	4.0
175.11134	1.3
175.14832	4.5
177.09070	6.7
179.07114	1.4
179.10663	20.9
188.08351	8.2
190.09940	2.5
191.06995	3.2
193.08618	2.2
193.15863	30.6
203.10661	18.4
203.17957	5.3
206.09338	3.2
221.08072	5.8
221.11725	50.4
221.15245	19.5
221.18893	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	221.1172
Annotation	2,2-Dimethyl-6-(1-hydroxyethyl)chroman-4-one
Peak:m/z	Relative Intensity
57.07053	0.5
59.05002	6.2
65.05177	0.5
67.05508	1.5
69.07069	1.5
69.47482	3.6
79.05505	1.8
81.07050	2.0
84.24822	0.6
87.63261	0.5
91.05466	3.5
93.07053	1.5
94.04211	0.9
95.04987	0.8
95.08600	1.2
98.83817	0.5
103.05486	1.1
105.07018	3.2
107.08614	1.2
109.06519	0.6
115.05470	3.3
116.06246	1.0
117.07019	13.2
119.04928	1.3
119.08598	2.5
121.10145	0.7
122.03637	4.4
123.08080	0.8
124.05262	0.8
128.06206	5.4
129.07001	0.6
131.04933	3.2
131.08589	1.1
133.06490	1.0
133.10080	2.7
135.11707	0.7
137.05977	100.0
138.06363	2.6
143.08562	14.1
144.05731	2.8
144.08937	0.7
145.06482	38.3
145.10117	1.3
146.06950	0.7
147.04413	1.0
147.08035	1.8
147.11687	1.0
148.05194	2.2
151.03908	7.7
151.05014	1.2
151.07535	8.0
159.08022	1.9
160.08847	1.6
161.05997	1.8
161.09627	3.2
161.13319	0.9
162.06767	26.7
163.07570	3.3
164.04710	0.6
165.05489	3.8
165.09073	0.7
171.08055	13.6
171.09453	1.1
172.08812	2.5
173.05960	3.1
174.06779	2.2
175.07515	2.5
175.11214	1.5
175.14873	1.5
177.09106	24.7
178.06207	0.6
178.09451	1.5
179.07045	1.8
181.47516	0.6
187.42607	0.5
188.08328	24.4
189.09055	1.9
192.07883	0.9
193.12216	1.0
203.10669	51.8
203.17842	0.8
204.11069	2.2
221.11722	93.2
222.12119	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	221.1172
Annotation	Flossonol
Peak:m/z	Relative Intensity
54.42263	0.5
55.01889	0.6
55.05506	0.7
59.05002	7.9
67.05494	1.9
69.07062	1.6
70.03750	1.9
71.04943	0.6
77.03923	0.6
79.05484	2.4
81.07042	3.5
83.05009	0.6
91.05453	4.4
93.07027	2.0
94.04180	1.4
95.04966	0.9
95.08603	2.0
98.23273	0.8
103.05479	1.7
103.99421	0.5
105.07030	3.1
107.04941	1.1
107.08601	1.7
109.06502	2.1
109.10174	1.1
113.85824	0.5
115.05446	3.1
116.06284	0.9
117.07019	15.3
118.07327	0.6
119.04900	1.2
119.08590	3.1
121.10137	1.0
122.03649	4.8
123.08028	0.9
123.11664	0.6
128.06227	7.9
129.07002	0.9
131.04938	3.5
131.08537	1.4
133.06441	1.3
133.10121	3.3
137.05968	100.0
138.06303	1.9
143.08553	20.4
144.05664	2.6
144.08873	0.6
145.06477	36.7
145.10091	1.8
146.06828	1.5
147.04411	1.2
147.08038	2.3
147.11678	1.2
148.05161	1.6
150.15733	0.5
151.03909	5.2
151.07520	7.8
155.06024	1.1
159.08063	2.4
160.05194	0.9
160.08788	1.1
161.05952	1.1
161.09637	3.0
161.13271	1.2
162.06752	26.6
163.07550	3.5
163.14778	0.6
164.04585	0.6
165.05547	3.2
165.06718	0.8
165.09081	0.9
171.08046	20.6
172.08752	1.9
173.05943	2.2
174.06706	2.2
175.07541	2.5
175.11194	1.7
175.14786	2.3
177.09094	27.5
178.06175	0.5
178.09473	1.1
179.07005	2.2
181.99744	0.6
185.13129	0.6
188.08325	19.4
189.08931	1.9
191.10619	0.8
192.07843	0.6
193.08481	0.6
193.12184	1.7
203.10661	45.4
203.17926	1.5
204.10976	2.0
206.10789	0.7
221.08072	3.1
221.11703	88.5
221.15263	3.4
222.12033	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1172
Annotation	2,2-Dimethyl-6-(1-hydroxyethyl)chroman-4-one
Peak:m/z	Relative Intensity
53.00325	0.4
55.01862	0.6
55.05507	2.1
57.03434	0.9
57.07073	1.0
59.04998	5.2
61.13793	0.4
65.03952	0.8
67.05504	3.0
69.07069	4.1
69.56541	0.8
69.56952	1.6
71.04987	1.2
77.43852	0.3
79.05483	3.1
81.07056	6.8
83.04981	0.7
83.08626	1.1
85.06540	0.5
91.05482	5.5
93.07049	4.4
94.04176	1.3
95.04952	1.4
95.08607	6.4
97.06527	1.2
97.10167	0.7
103.05482	1.2
105.07025	7.7
107.04965	1.1
107.08588	6.1
109.02835	0.4
109.06511	1.3
109.10155	5.2
111.08072	1.2
115.05453	3.9
116.06209	1.2
117.07019	14.7
118.07336	0.6
119.04934	1.5
119.08582	7.7
121.06477	0.6
121.10136	3.0
122.03645	4.0
123.08052	6.0
123.11697	1.9
125.09605	0.9
128.06219	4.6
129.07018	0.6
131.04922	2.9
131.08530	1.7
132.05695	0.5
132.26898	0.4
133.06535	1.8
133.10130	5.0
134.82249	0.5
135.11700	6.2
137.05972	97.6
137.09557	1.1
137.13240	0.8
138.06300	1.7
141.06989	0.4
142.07779	0.4
143.04951	0.6
143.08559	12.6
144.05693	3.0
144.08931	0.4
145.06483	40.4
145.10117	1.9
146.06944	1.2
147.04407	1.6
147.08037	2.6
147.11673	5.3
148.05167	1.4
149.02377	0.6
149.05978	0.5
149.09650	0.9
149.13258	1.2
151.03912	8.9
151.04984	0.6
151.07515	7.9
151.11166	1.0
157.10072	1.0
159.04422	0.5
159.08047	2.2
160.05206	1.4
160.08768	1.9
161.05971	2.7
161.09622	3.7
161.13269	3.1
162.06761	29.2
163.03882	0.7
163.07527	2.5
163.11172	0.8
163.14816	0.8
164.04675	0.4
165.05516	3.1
165.06871	0.7
165.09099	1.4
165.12740	1.0
171.08058	11.0
172.08861	2.7
173.05966	3.0
174.06801	3.0
175.07564	5.2
175.11203	2.2
175.14784	2.3
177.09108	33.6
177.16464	0.5
178.06259	1.4
178.09447	1.4
179.07039	1.7
185.13301	0.8
188.08318	21.6
189.05424	0.5
189.09053	2.1
190.06282	0.5
191.03375	0.5
191.10620	0.7
193.08606	2.5
193.12291	1.0
193.15984	2.9
203.10666	47.7
203.14339	2.1
203.17928	4.1
204.10947	1.6
206.05623	0.8
221.08112	4.3
221.11719	100.0
221.15317	5.2
221.18936	6.3
222.12115	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	221.1173
Annotation	CHEBI:68155
Peak:m/z	Relative Intensity
53.03963	0.7
55.01858	0.6
55.05511	3.5
56.99667	0.6
57.07072	0.9
57.95481	0.6
59.04993	5.6
65.03953	0.8
67.05520	4.5
69.07073	6.7
71.04991	4.5
73.46098	0.5
74.94693	0.6
79.05487	5.4
81.03454	0.8
81.07059	18.1
83.04993	1.1
83.08614	1.5
83.93063	0.5
85.06524	1.6
89.75143	0.6
90.88562	0.5
91.05473	7.7
93.07047	9.3
94.04182	1.4
94.86493	0.6
95.04987	2.8
95.08614	12.5
97.06580	1.0
97.10183	1.5
99.08127	0.7
103.05459	1.0
105.07028	12.3
107.04953	0.7
107.07921	1.1
107.08596	12.8
109.06525	1.3
109.10147	7.5
109.19393	0.6
111.08085	1.3
114.72041	0.6
115.05466	3.2
116.06235	1.4
117.07029	14.0
117.17306	0.5
119.04948	1.6
119.08584	13.8
120.05521	0.5
121.10155	6.2
122.03641	4.0
123.08058	1.9
123.11717	5.3
125.09645	0.8
128.06245	4.7
129.07028	1.0
131.04939	3.0
131.08574	1.8
132.05775	0.6
133.06509	1.6
133.10132	7.4
135.08101	0.9
135.11693	12.1
137.05975	100.0
137.13222	1.1
138.06303	1.9
142.07829	0.7
143.08559	12.0
144.05716	2.5
145.06487	35.0
145.10147	2.4
146.06935	0.7
147.04420	1.3
147.08044	2.6
147.11684	10.2
148.05142	1.7
149.02328	1.5
149.05946	0.8
149.13213	2.9
151.03918	2.6
151.07553	8.6
151.11136	1.5
159.08086	1.4
160.05164	1.4
160.08859	1.2
161.05974	3.0
161.09639	4.2
161.13239	6.7
162.06763	26.7
163.07452	2.2
163.14813	3.3
165.05473	2.3
165.09122	0.9
165.12698	1.4
171.08043	9.8
172.08771	2.4
173.05991	2.6
174.06789	2.6
175.07550	3.5
175.11235	1.6
175.14838	2.6
177.05582	0.8
177.09105	27.8
177.16418	1.7
178.06255	1.0
178.09433	1.0
179.07028	1.7
179.10748	0.7
185.13205	0.9
188.08319	21.6
189.09038	2.1
190.06227	0.9
191.10632	1.1
193.08586	3.1
193.12230	2.1
193.15833	1.5
203.10674	43.3
203.17947	13.8
204.11009	1.6
204.18433	0.9
206.16272	0.7
221.08096	3.7
221.11723	89.9
221.15358	3.9
221.18982	20.8
222.12137	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	221.1172
Annotation	Aristelegone B
Peak:m/z	Relative Intensity
53.00295	0.5
53.03942	2.2
55.01878	1.0
55.05512	16.6
57.03429	1.0
57.07071	3.9
59.04993	1.9
65.03940	1.7
67.05506	10.9
69.03426	3.8
69.06713	0.8
69.07069	12.8
70.51307	1.5
71.04990	19.3
71.08637	0.7
73.06545	1.0
77.03900	0.7
78.04723	0.7
79.05493	18.4
81.07056	54.1
82.07376	0.7
83.04981	2.4
83.08614	5.3
85.02908	1.8
85.06539	1.7
91.05481	21.4
93.07045	40.8
95.04971	2.6
95.08602	28.8
95.09217	1.2
97.02891	0.5
97.06537	2.4
97.10157	3.1
99.08103	4.2
103.05438	2.6
104.06250	1.9
105.07030	41.9
106.07318	0.5
107.04951	1.7
107.08593	69.5
108.08925	1.4
109.06522	4.1
109.10157	25.9
111.08092	2.4
111.11707	0.7
113.02377	2.9
113.09641	1.3
115.05452	6.3
116.06278	1.2
117.07020	12.7
119.04910	1.1
119.08579	57.3
120.08907	1.1
121.02895	0.8
121.06509	27.6
121.10143	11.4
122.06881	0.5
123.04453	0.8
123.08060	4.7
123.11705	15.6
125.09633	1.7
125.16774	0.6
127.11179	4.1
128.06238	2.8
129.07028	3.6
130.07779	0.7
131.04958	2.3
131.08562	5.2
132.05682	4.3
132.09381	1.2
133.06511	3.9
133.10126	31.9
135.04462	0.5
135.08087	3.5
135.11691	100.0
136.12027	1.9
137.05969	6.2
137.09608	4.6
137.13229	3.9
139.11179	0.8
142.07776	2.6
143.08556	3.4
144.05734	1.1
144.09355	1.8
145.06493	8.7
145.10133	5.7
146.07266	6.8
147.04417	2.1
147.08049	7.3
147.11684	59.3
148.12042	1.5
149.02348	11.3
149.05991	1.1
149.09602	1.2
149.13266	9.6
151.03949	1.0
151.07559	1.4
151.11160	5.4
153.12784	1.0
157.10156	3.4
159.08115	1.4
159.11697	7.0
160.05200	4.3
160.08838	8.0
160.12419	0.9
161.05974	2.7
161.09634	9.6
161.13263	11.1
162.06750	9.2
163.07506	1.1
163.14822	5.0
165.05478	4.1
165.06897	0.9
165.09108	0.7
165.12740	3.0
170.07300	0.8
171.08037	1.6
172.08739	0.8
173.05994	1.2
175.07549	76.0
175.11172	49.7
175.14694	3.3
176.07932	2.3
176.11589	2.1
176.15059	0.6
177.09155	4.6
177.12730	1.0
177.16345	2.9
179.07019	0.9
179.10689	0.9
179.14299	0.9
185.09572	0.7
187.12384	1.2
188.08301	3.8
189.09181	0.8
190.06206	0.6
193.04993	0.8
193.08601	2.0
193.12251	3.6
193.19460	0.5
203.10672	31.0
203.17947	32.4
204.11026	1.0
204.18289	1.5
205.04872	3.9
206.05760	6.9
221.06204	0.8
221.08119	30.1
221.11684	32.0
221.15378	2.0
221.18996	49.8
222.08482	1.5
222.11369	3.2
222.19388	1.4
227.18674	0.5
239.93779	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1173
Annotation	2,2-Dimethyl-6-(1-hydroxyethyl)chroman-4-one
Peak:m/z	Relative Intensity
53.03940	0.6
55.01876	0.7
55.05504	0.7
57.07069	0.7
59.05003	5.6
65.03951	0.9
67.05492	2.0
69.07064	2.9
79.05487	1.9
81.07056	4.1
83.04966	0.6
91.05473	3.9
91.23487	0.4
93.07043	3.2
94.04163	1.1
95.08601	2.6
97.06508	0.7
103.05456	1.7
105.07036	4.1
105.41245	0.6
107.05012	0.8
107.08595	2.8
108.02086	1.4
109.06492	0.7
109.10165	2.0
115.05457	2.7
116.06277	0.6
117.07025	10.1
119.04925	2.0
119.08595	3.7
121.06442	0.5
121.10140	1.4
122.03631	4.1
123.08080	0.7
123.11716	1.0
125.05972	0.6
128.06212	4.0
129.07051	0.7
131.04962	2.6
131.08577	0.9
132.05637	0.6
133.06477	2.0
133.10143	3.4
135.11694	2.8
136.01646	0.6
137.05977	89.8
138.06328	2.3
141.05415	1.5
143.08563	12.3
144.05684	1.8
145.06488	31.0
145.10152	1.4
146.06902	0.7
147.04385	2.4
147.08032	2.3
147.11699	1.7
148.05127	1.6
149.13330	0.7
151.03911	53.3
151.05008	5.1
151.07516	7.2
152.04245	1.5
159.08028	2.4
160.05202	0.8
160.08821	1.1
161.05960	2.1
161.09599	1.9
161.13293	1.3
161.34892	0.6
162.06763	21.7
163.03911	1.4
163.07532	3.2
163.14854	0.8
165.05489	2.8
165.06694	0.5
171.08051	9.1
172.08893	2.7
173.06001	2.3
174.06738	2.4
175.07510	3.7
175.11230	1.1
175.14867	0.8
177.05457	1.0
177.09111	19.4
178.06215	0.9
178.09283	0.5
179.07033	2.0
188.08324	20.4
189.08904	2.2
190.06195	1.3
191.10715	0.9
193.08614	2.1
193.12155	0.9
203.10667	46.2
203.17935	2.3
204.10970	1.5
206.05794	0.8
221.08113	3.8
221.11722	100.0
221.18958	2.5
222.12073	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	221.1172
Annotation	2,2-Dimethyl-6-(1-hydroxyethyl)chroman-4-one
Peak:m/z	Relative Intensity
53.03949	0.7
53.49963	0.5
58.23532	0.5
59.05001	6.7
65.53964	0.5
66.35654	0.5
67.05515	1.3
69.07054	1.9
70.51282	1.5
76.23991	0.6
79.05492	1.6
81.07053	2.1
82.41164	0.5
83.04954	0.8
91.05463	2.8
93.07039	2.0
94.04192	1.3
95.04979	1.1
95.08592	1.7
101.18723	0.5
103.05466	2.4
105.07029	4.2
107.04933	1.1
107.08585	1.2
108.02071	0.5
109.02865	0.5
109.06522	0.8
109.10181	0.6
111.47071	0.6
115.05469	3.2
116.06247	1.0
117.07014	13.7
119.04932	1.4
119.08567	2.4
121.10159	0.7
122.03655	4.1
128.06219	7.3
129.07031	0.8
131.04919	3.3
131.08548	1.5
133.06465	0.8
133.10126	1.7
137.05968	99.5
138.06282	1.6
142.07660	0.6
143.08559	15.9
144.05730	2.6
145.06480	37.9
145.10095	1.0
146.06905	1.0
147.04391	1.1
147.08047	2.3
147.11743	0.5
148.05179	2.0
149.02281	0.5
149.05952	0.7
151.03903	24.1
151.04953	1.5
151.07535	7.8
153.26279	0.5
155.06067	0.8
157.06410	1.0
159.08052	1.8
160.05254	1.2
160.08804	1.9
161.05988	5.2
161.09595	2.2
161.13191	0.9
162.06761	27.6
163.07524	4.3
164.04706	0.9
165.05486	3.4
165.09119	0.7
171.08047	17.6
172.08838	2.9
173.05995	3.4
174.06744	2.3
175.07513	3.6
175.11139	0.5
175.14859	1.4
176.08168	0.6
177.05641	0.8
177.09097	27.2
178.09518	1.4
179.06995	2.7
188.08319	23.9
189.09009	2.2
192.07758	0.9
193.12245	1.4
203.10667	58.0
203.17885	0.9
204.10977	2.4
221.11716	100.0
222.12059	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	221.1535
Annotation	Madolin F
Peak:m/z	Relative Intensity
51.61118	0.4
53.03940	0.6
55.01871	0.6
55.05508	4.5
57.03430	0.8
57.07072	4.0
59.05002	1.4
65.03957	0.4
67.05501	6.9
69.03437	1.2
69.07065	7.8
69.77777	2.0
71.04993	2.4
71.08662	0.3
79.05487	3.3
81.03432	0.6
81.07055	18.6
83.04974	2.3
83.08611	3.9
85.06568	1.0
91.05458	3.5
92.05772	0.4
93.07043	6.1
95.04993	1.7
95.08603	10.7
97.06530	2.9
97.10143	3.0
99.08134	0.5
103.05443	0.4
105.07025	7.3
105.07723	0.4
107.04952	0.6
107.08592	9.5
109.06527	2.8
109.10150	18.4
111.08086	1.2
111.11709	0.5
113.11240	0.3
115.05448	1.2
117.07022	2.0
119.04938	0.6
119.08582	10.2
121.06542	0.7
121.10135	8.2
122.10947	0.4
123.08067	6.6
123.11703	18.2
124.08864	1.0
125.09638	1.3
127.11169	0.4
129.07008	0.9
131.04955	0.7
131.08549	1.1
133.06503	1.1
133.09196	0.6
133.10132	8.5
133.11153	0.4
135.08031	1.1
135.11682	13.1
137.05986	5.2
137.09608	11.3
137.13286	1.1
138.10361	1.0
143.08560	1.0
145.06500	2.4
145.10127	1.1
147.04414	1.0
147.08041	0.9
147.11679	4.3
149.02324	0.5
149.09622	0.9
149.13243	2.3
150.10370	0.5
151.03889	1.6
151.04974	0.4
151.07544	1.2
151.11179	13.7
151.14807	4.5
152.11600	0.4
157.06392	0.4
159.11697	0.5
160.05194	0.6
161.05994	2.2
161.09584	1.2
161.13261	2.4
162.06790	2.1
163.03920	0.6
163.07498	0.5
163.11182	0.9
163.14853	0.5
164.11969	0.5
165.06961	0.5
165.09074	0.7
165.16414	0.9
171.08029	0.6
175.07553	2.3
175.11201	0.9
175.14815	6.3
177.09106	2.0
177.16342	0.4
178.07759	0.7
179.10654	0.6
179.14355	2.4
188.08397	1.5
189.05533	0.5
189.09103	0.6
190.06213	0.7
191.03336	0.5
193.08662	1.8
193.15874	100.0
194.16187	3.5
203.06941	0.8
203.10677	3.4
203.14377	0.7
203.17976	2.5
206.05728	0.6
206.07454	0.4
206.11008	0.4
206.16263	0.5
221.06055	0.8
221.08040	3.9
221.12016	6.9
221.15349	57.1
221.18948	4.7
222.15569	2.1
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
53.03927	1.2
55.05511	9.3
56.47685	0.8
57.03425	2.6
57.07074	1.6
65.03925	1.2
66.79861	0.7
67.05505	32.0
69.07072	12.1
70.01556	2.3
70.21153	0.7
71.04983	1.3
79.05495	10.6
81.07056	59.7
83.08627	4.1
85.06532	1.0
91.05471	6.9
93.07042	22.3
95.04911	0.9
95.08604	39.6
97.06524	5.1
97.10166	8.5
105.07036	19.1
107.08593	27.6
109.06532	1.2
109.10155	32.7
111.08092	6.9
111.11678	2.3
117.07001	2.9
119.05019	0.7
119.08575	15.3
121.10138	16.1
123.11696	9.3
125.09641	17.7
126.09956	0.9
128.06232	1.3
131.08539	1.3
133.10124	11.4
135.08058	0.8
135.11678	6.7
137.05977	17.5
137.13264	1.7
137.77472	0.8
139.11148	6.9
143.08556	2.3
145.06465	5.1
145.10043	1.1
147.11685	15.7
149.13303	3.9
151.03922	1.7
151.07591	1.1
151.11143	2.5
159.11743	0.9
161.05966	0.8
161.13260	12.9
162.06778	4.1
163.14819	47.4
164.15181	2.4
165.07031	1.3
165.12787	1.2
171.08095	1.8
175.07541	1.2
175.11247	1.0
175.14838	8.9
176.41965	0.7
177.09082	3.8
188.08369	3.7
203.10666	8.6
203.14377	1.6
203.17960	23.8
204.18260	2.0
209.59200	0.8
221.06049	1.7
221.08128	2.0
221.09808	0.8
221.11691	17.7
221.15411	2.9
221.18999	100.0
222.19336	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	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03933	2.8
55.05511	8.2
55.36266	1.2
57.07061	2.1
62.10126	1.0
65.03923	1.2
66.97261	1.1
67.05500	12.4
69.03442	1.3
69.07066	11.6
71.04989	43.3
71.30944	1.5
73.06540	1.3
77.03921	1.5
79.05487	18.2
81.07053	83.7
82.07385	1.5
83.08598	2.7
85.02914	1.6
85.06557	1.4
91.05468	16.6
93.07038	48.5
95.04969	4.4
95.08025	2.3
95.08604	31.4
97.06524	5.0
97.10139	2.2
99.08109	2.7
103.05442	2.2
105.07027	47.4
105.07735	2.6
107.08591	59.0
109.06469	2.3
109.10151	24.8
111.08097	2.4
111.11676	1.9
113.02417	1.2
113.09645	2.2
114.26140	1.2
115.05484	2.9
117.07018	4.6
119.08573	78.0
120.08899	2.8
121.06500	5.2
121.10149	10.6
123.04427	2.0
123.08044	3.5
123.11703	12.2
125.09628	1.2
127.11208	8.9
129.06961	3.5
131.08528	3.1
133.06468	3.0
133.10120	24.6
135.08076	7.5
135.11685	84.4
136.12006	2.0
137.05962	3.1
137.13307	1.4
141.20963	1.2
142.07799	2.3
143.08528	1.9
145.06461	1.4
145.10123	2.8
147.04440	1.4
147.08035	3.9
147.11668	41.1
148.12018	1.4
149.02344	3.6
149.09589	1.9
149.13251	16.8
151.03934	8.7
157.10127	2.4
159.11664	2.1
161.05983	4.8
161.09608	3.5
161.13234	11.6
163.14835	4.6
165.12746	1.5
175.07552	3.4
175.11172	14.5
175.14809	5.8
177.09119	5.3
177.16484	1.5
179.03346	3.5
189.05363	1.7
191.07022	1.2
193.08600	4.1
203.10654	4.0
203.17949	42.7
204.18279	2.5
205.04852	1.5
206.05775	1.6
206.16125	1.3
221.08051	11.9
221.11714	12.7
221.15392	3.7
221.18990	100.0
222.19328	3.4
239.19583	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03943	6.5
53.74271	1.7
55.05508	13.7
57.07070	2.9
64.97038	2.1
67.05514	15.7
69.07072	15.2
70.46475	6.2
70.46851	2.1
71.04988	56.2
73.06557	2.1
79.05490	23.3
81.07057	99.8
83.08617	3.3
87.65134	1.9
91.05479	18.0
93.07047	55.2
95.04974	3.3
95.08603	35.3
97.06534	5.7
99.08122	4.6
103.05461	2.7
105.07030	56.6
107.04944	2.9
107.08598	58.3
109.06534	4.0
109.10153	34.4
115.05462	4.0
117.07020	5.4
119.08577	83.5
119.09428	4.4
121.10108	12.6
123.04443	3.1
123.11699	17.4
127.11189	10.1
128.06242	4.5
129.06993	5.1
131.04959	2.9
131.08553	7.1
133.06491	2.9
133.10123	27.8
135.08041	5.0
135.11687	94.5
136.12083	3.4
137.06015	5.2
142.07768	14.7
143.08562	2.5
145.10100	2.3
147.08081	2.7
147.11697	32.5
149.05878	2.2
149.09621	3.5
149.13290	18.1
157.10107	28.7
159.11711	4.3
161.05980	5.7
161.09546	4.7
161.13281	14.1
163.14857	3.7
165.07065	2.8
165.12811	3.4
171.08044	5.0
175.07549	7.3
175.11183	42.7
175.14848	6.0
177.09093	11.7
178.06271	3.2
179.03392	21.8
193.08606	7.8
193.12201	11.5
203.07111	4.6
203.10701	10.4
203.17949	48.7
221.08022	12.9
221.11720	20.8
221.19003	100.0
222.19357	5.0
239.86525	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	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03935	1.9
55.05510	12.0
57.07072	5.2
59.04995	2.9
67.05512	11.2
68.10883	1.2
68.58150	1.3
68.99760	1.5
69.03424	1.8
69.07062	12.3
70.17749	2.9
71.04996	21.2
79.05495	15.1
81.07059	58.9
83.04984	1.9
83.08623	6.4
83.85124	1.5
85.06566	1.9
86.15710	1.2
91.05477	15.2
93.07045	39.7
95.04977	2.9
95.08609	29.9
96.22102	1.3
97.06519	7.2
97.10182	2.4
98.22631	1.3
99.08113	4.1
105.07040	29.9
107.04936	3.4
107.08594	68.5
108.08906	1.5
109.06508	3.4
109.10156	21.8
111.08068	3.6
113.09698	2.2
115.05460	4.7
117.07021	6.0
119.04955	2.5
119.08588	43.7
121.06461	2.2
121.10160	15.5
123.08089	3.1
123.11710	17.7
127.11231	4.5
128.06206	2.5
131.04886	1.9
131.08607	3.3
133.06438	2.7
133.10136	24.2
134.55824	1.2
135.11696	100.0
136.12088	2.4
137.05997	12.1
137.09633	4.7
137.13280	3.0
143.08562	4.2
145.06520	3.3
145.10118	2.3
147.04411	3.0
147.08075	2.0
147.11687	24.5
149.13202	7.6
151.11211	5.2
157.10144	1.6
159.11624	1.5
161.05946	7.4
161.09676	2.3
161.13257	14.1
162.06783	4.5
163.07549	1.3
163.14783	3.6
165.07005	3.7
165.12743	4.4
171.08104	2.2
174.06860	1.4
175.07542	7.1
175.11206	2.4
175.14835	4.7
177.05577	2.1
177.09109	38.6
177.14883	1.2
177.16412	4.6
178.06299	3.2
178.07808	12.5
178.09392	2.6
179.03464	1.6
185.13388	1.5
188.08395	4.0
192.09282	1.4
193.06796	1.2
193.08598	5.6
193.10188	9.7
195.31161	1.3
203.10670	10.8
203.14362	2.3
203.17944	33.1
204.18318	1.4
205.04930	3.1
205.06656	1.5
206.05630	6.5
206.07330	4.7
221.06015	4.0
221.08090	23.2
221.09698	16.6
221.11755	11.8
221.15327	2.7
221.17256	7.5
221.19052	51.1
222.08324	1.7
222.19493	1.5
233.53247	1.3
244.56142	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
52.05259	1.7
55.05515	12.5
56.48034	1.3
57.07069	3.8
59.04999	3.1
65.03922	2.4
67.05503	12.9
69.03418	1.9
69.07067	16.2
70.17844	2.8
70.18241	4.0
71.04993	25.5
79.05499	17.5
81.03427	1.9
81.07057	62.9
83.04980	3.3
83.08625	6.0
85.06529	3.3
91.05475	13.8
93.07044	42.6
94.07389	2.0
95.04935	2.7
95.08024	2.8
95.08608	39.9
97.06529	4.0
97.10152	5.1
98.22622	2.1
99.08090	4.2
103.05503	2.2
105.07026	34.5
107.08594	69.8
108.08986	1.9
109.06539	3.5
109.10153	28.3
111.08080	5.2
111.11717	2.5
115.05524	2.2
117.07002	3.1
117.82564	1.5
119.08585	44.9
121.06509	1.8
121.10140	19.2
121.29140	1.5
123.08069	5.7
123.11702	19.8
125.09614	2.2
127.11161	3.8
131.04918	1.8
131.08566	2.9
133.06482	3.2
133.10133	27.4
135.11693	100.0
136.12032	3.5
137.05942	7.8
137.09604	5.9
137.13255	2.4
139.11154	2.5
143.08511	1.6
145.06465	4.4
145.10138	1.7
146.07278	1.9
147.08075	2.6
147.11690	30.4
147.90431	1.7
149.02376	3.4
149.13264	11.7
151.03883	3.8
151.07516	3.9
151.11182	3.6
159.11754	2.0
161.05989	8.1
161.13249	13.3
162.06766	3.1
163.14780	7.6
165.12741	3.3
175.07562	9.0
175.08937	1.7
175.11143	1.6
175.14819	4.8
177.09123	6.6
177.14922	1.3
177.16422	6.1
178.06267	4.3
179.14359	1.5
185.13402	1.6
188.08307	3.1
190.06335	1.7
193.08604	14.0
203.07101	2.0
203.10695	6.7
203.14677	1.6
203.17966	41.8
204.18243	1.8
213.14717	1.5
221.08060	14.9
221.11673	10.5
221.15402	3.4
221.19028	67.4
222.19362	4.1
238.25549	1.8
241.22643	1.5
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
55.05516	11.9
56.24198	1.5
56.53273	1.4
57.07069	4.2
67.05511	9.2
69.07079	11.4
70.35699	3.2
71.04992	24.7
79.05495	19.8
81.07057	48.7
83.04977	3.9
83.08600	4.5
85.06567	2.0
91.05484	12.5
93.07044	35.2
93.96628	1.5
95.08599	27.5
97.06495	1.8
97.10192	2.3
99.08104	3.2
105.07023	24.5
107.08595	63.4
107.81596	1.6
108.08887	1.7
109.06508	2.6
109.10138	17.0
111.08067	3.8
113.09715	2.3
115.05444	2.5
117.07005	4.3
119.08591	41.7
121.06487	5.2
121.10140	11.9
123.08049	3.9
123.11715	17.0
125.09651	2.3
127.11198	2.6
128.06268	2.4
133.10132	26.2
135.11691	100.0
137.05934	3.8
137.09644	4.1
137.13229	3.2
142.91609	1.7
145.06480	4.8
145.10074	1.9
147.11696	28.3
149.02359	3.6
149.13216	8.2
151.11182	3.0
151.43880	1.5
160.08769	2.5
161.09625	4.7
161.13255	11.0
162.06781	3.6
163.14844	5.0
165.12755	3.0
175.07538	29.0
175.11171	8.9
175.14871	4.2
177.16362	4.8
179.14258	2.7
193.08702	1.6
193.12289	1.9
203.10692	12.7
203.14330	2.2
203.17967	34.2
221.08101	6.9
221.11700	7.9
221.15584	2.7
221.18983	47.0
233.89088	1.4
238.01172	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	(E,E)-3,7,11,-Trimethyl-1,4,6,10-tetraen-3-ol
Peak:m/z	Relative Intensity
53.03947	2.0
55.05307	0.8
55.05517	9.2
57.07065	3.8
59.05003	1.5
59.51119	0.8
67.05222	0.8
67.05511	9.6
69.07067	9.2
70.52176	1.9
71.04996	18.6
79.05501	15.7
81.07060	42.5
83.04967	1.1
83.08625	4.7
85.06534	1.2
87.08092	1.1
88.54161	0.8
91.05483	10.9
91.25162	0.8
93.07047	34.4
95.04939	1.7
95.08607	26.4
96.08932	0.8
97.06522	1.8
97.10171	2.3
99.08106	5.0
99.08625	0.9
105.04510	0.9
105.07036	16.4
107.08595	58.9
109.06513	1.9
109.10165	19.5
111.08109	2.8
117.07037	1.0
119.07749	1.6
119.08581	28.8
121.10135	8.6
123.08060	2.5
123.11707	17.9
125.09647	2.0
127.11194	3.7
133.10129	20.8
134.10477	1.5
135.11696	100.0
136.12024	3.1
137.09598	4.5
137.13225	3.5
138.41464	0.8
139.11195	1.6
143.59798	0.8
145.10143	1.6
147.11691	18.7
147.12848	1.1
149.13240	5.6
151.11200	3.8
161.13257	10.8
163.14799	4.0
165.00916	0.9
165.12776	4.6
175.14822	2.2
177.16374	2.1
179.14317	1.0
190.38037	0.8
193.08563	2.0
203.17960	30.5
204.18315	1.3
221.08044	1.8
221.19003	47.3
222.19307	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	221.19
Annotation	(-)-(E)-Lanceol
Peak:m/z	Relative Intensity
50.51550	0.8
52.42840	0.7
53.03944	1.7
55.05512	8.9
57.07066	2.9
59.04987	1.2
65.03923	1.1
65.59255	0.8
67.05503	8.7
69.07062	9.4
70.44403	1.9
70.44772	1.8
71.04993	25.5
79.05490	15.4
81.07057	53.8
83.04975	2.2
83.08598	4.3
85.06570	0.9
91.05471	9.2
93.06452	1.9
93.07044	39.2
95.04950	1.4
95.08604	25.3
95.09214	1.3
97.06519	2.6
97.10155	2.1
99.08084	4.3
103.44246	0.9
105.06348	1.8
105.07026	24.4
107.08594	55.5
108.08930	1.9
109.06485	3.1
109.10153	22.1
111.08080	2.2
111.11726	1.0
113.09610	2.4
117.06981	1.4
119.08581	39.7
121.10139	10.3
123.08062	2.2
123.10863	1.6
123.11705	13.7
125.09638	1.5
127.11195	5.8
133.10118	18.0
135.11688	100.0
136.12041	2.5
137.09595	2.8
137.13258	2.4
145.10060	1.2
147.10588	1.4
147.11688	21.1
148.11980	1.2
149.13260	9.6
151.11188	2.9
159.11661	0.9
161.13249	10.4
163.14781	4.8
165.12808	3.2
175.14798	4.0
177.16360	2.2
196.45500	1.1
202.56270	0.9
203.17944	36.4
204.18283	1.6
221.11691	2.0
221.18994	60.7
222.19269	3.2
239.66693	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	(-)-(E)-Lanceol
Peak:m/z	Relative Intensity
53.03957	2.1
55.05504	10.4
64.44571	2.2
67.05482	7.8
69.07067	12.9
69.42915	14.6
71.04998	43.5
79.05509	17.9
81.07056	87.9
83.08626	4.3
89.76639	2.1
91.05473	11.9
93.07043	50.2
95.08610	30.4
97.06511	6.9
99.08080	5.6
105.07027	47.2
107.08596	56.8
109.10152	27.5
113.09642	2.8
117.06998	3.8
119.08582	62.1
121.10146	9.9
122.39812	2.4
123.11716	15.9
127.11163	8.6
133.10129	21.6
135.11690	90.6
136.22510	2.1
147.11678	29.5
148.12103	2.6
149.13248	17.0
161.13203	11.7
163.14850	6.6
165.12704	2.8
175.14763	4.1
203.16133	3.5
203.17967	47.4
207.26352	2.3
221.08029	3.5
221.11700	3.0
221.19006	100.0
221.21175	5.0
222.19362	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	222.076
Annotation	Unknow
Peak:m/z	Relative Intensity
71.32479	0.6
71.93806	0.4
77.03918	0.4
79.05472	0.4
91.05466	1.3
93.07047	0.5
103.05455	0.8
104.05001	0.6
105.07057	0.6
106.06599	0.4
107.04940	0.5
115.05475	0.4
117.07002	0.4
118.06548	1.1
119.07329	0.3
120.08101	12.4
121.06476	0.4
129.05530	0.4
130.06519	100.0
131.06853	2.3
131.08568	0.3
132.04437	18.0
133.04799	0.4
145.06526	0.4
146.05989	0.8
148.07559	28.1
149.02335	1.0
149.07922	0.4
158.06000	29.1
159.06396	0.4
159.07864	0.4
160.08704	1.4
163.03854	0.6
176.07054	79.9
177.05609	0.7
177.07411	2.8
177.11240	0.4
195.06552	0.4
204.06499	2.2
205.08704	0.5
222.07611	5.2
222.14865	4.1
223.05981	1.2
223.09621	0.6
223.11746	0.7
225.04330	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51068	0.4
56.37347	0.5
67.05508	0.6
69.03437	0.4
70.06617	0.5
71.31599	0.7
79.05489	0.8
91.05472	0.7
93.07053	0.9
103.05478	1.8
105.07034	0.5
115.05418	0.7
117.07002	0.7
118.06560	0.6
120.08106	11.5
121.06503	0.8
130.06523	100.0
131.04907	2.2
131.06863	3.4
132.04445	17.7
139.03946	0.8
140.30139	0.5
146.05968	0.8
148.07567	28.9
149.02330	1.5
149.05920	0.7
158.06009	30.7
159.04422	0.9
159.06305	1.3
161.00394	0.5
163.07433	0.9
176.07060	86.7
177.05533	0.6
177.07402	2.8
177.09003	1.0
178.09454	1.2
204.02786	0.6
204.06581	0.5
204.13861	0.4
222.07603	4.3
222.11258	2.8
222.14853	3.8
223.09546	0.8
225.04353	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.076
Annotation	Hyrtioerectine C
Peak:m/z	Relative Intensity
55.01863	0.3
55.05522	0.3
67.05489	0.3
69.03433	0.4
70.80218	0.5
70.80555	0.2
71.04952	0.2
73.30806	0.3
79.05497	0.6
80.05020	0.3
81.07060	0.4
83.04964	0.7
85.02897	0.3
91.05466	1.2
92.05837	0.4
92.56889	0.3
93.07035	0.9
94.06557	0.3
95.04980	0.3
95.08617	0.5
96.08140	0.4
97.02866	0.3
103.05478	0.9
104.05002	0.3
105.07024	1.0
106.06558	0.5
107.08582	0.7
109.06547	0.3
109.10185	0.3
110.09663	0.4
115.05466	0.5
117.07015	0.8
118.06530	0.7
118.07359	0.6
119.07320	0.4
119.08616	0.7
120.08099	11.8
121.06551	0.4
121.10144	0.5
130.06520	100.0
131.04907	0.5
131.06863	2.8
131.08463	0.3
132.04442	17.4
133.04768	0.4
134.05980	0.3
135.07988	0.8
137.05977	0.3
137.09615	0.3
147.08018	0.2
148.07562	26.8
148.41830	0.3
149.07910	0.7
149.09634	1.2
158.06006	29.3
159.06384	0.7
159.11711	0.5
162.06564	0.7
163.07176	0.9
165.09033	0.3
176.07054	80.5
177.05827	0.3
177.07401	2.5
177.09097	4.2
177.12656	0.2
178.09435	20.3
187.11188	0.4
204.06554	2.1
204.10938	0.3
205.12201	0.3
222.07596	4.1
222.11528	0.4
222.14868	7.0
223.06076	0.4
223.13283	0.8
223.15314	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0964
Annotation	2E,4E,8E,10E-Dodecatetraenedioic acid
Peak:m/z	Relative Intensity
51.02362	1.4
53.03943	2.5
55.01862	3.9
55.05512	2.8
57.03439	1.1
57.07070	5.2
59.04992	7.2
64.97697	1.1
65.03934	2.8
65.67004	1.1
67.05504	11.1
68.99792	1.1
69.03427	18.6
69.07059	2.2
69.32825	6.9
71.04996	2.2
79.01850	6.4
79.05495	15.4
81.03410	2.2
81.07076	5.9
83.04972	11.7
85.02887	1.2
85.06542	100.0
86.06864	1.9
89.06049	2.8
91.05477	34.9
93.03399	1.6
93.07033	8.5
95.04969	4.5
97.02886	45.3
97.06532	5.1
99.04465	3.0
99.92348	1.4
103.05461	2.7
105.03384	3.4
105.07021	32.3
106.07301	1.2
107.04967	5.5
107.08595	15.4
109.02871	4.0
110.27221	1.0
111.04417	4.6
115.05456	11.4
116.06232	5.0
117.07017	53.0
118.07340	1.3
119.04965	2.5
119.08579	4.3
121.06499	4.4
121.10182	1.5
123.04409	5.9
125.02348	90.1
128.06218	3.1
129.07007	4.0
131.04918	2.2
131.08565	54.2
133.06496	11.2
133.10114	4.7
135.04399	4.9
135.08043	19.7
137.02289	1.5
137.05984	2.0
141.06976	2.4
144.05695	1.9
145.06473	17.2
146.06888	1.3
147.04448	1.5
149.02338	5.6
149.05959	2.3
149.09619	5.2
151.03967	1.1
151.07539	2.5
159.08057	27.8
161.06007	6.2
161.09622	2.9
163.03926	1.5
163.07538	45.8
164.07954	1.2
177.05446	3.4
177.07715	2.0
177.09128	25.8
179.06985	3.0
180.07761	1.6
181.08553	2.0
187.07504	9.1
192.07758	2.2
205.08594	11.8
223.06024	3.3
223.09630	8.1
223.13312	1.4
223.16782	2.0
225.04314	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	223.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	8.0
55.01862	18.8
56.96556	23.8
57.03436	9.1
62.15965	8.1
67.05498	15.3
69.03426	31.1
69.07053	11.9
70.06593	17.5
71.30573	9.5
73.02900	11.5
75.87303	8.8
79.05508	20.4
81.03416	18.7
81.07040	19.4
82.79618	7.7
85.02901	100.0
85.06577	9.0
91.05467	23.4
93.06992	11.6
95.04958	12.0
95.08604	15.0
97.02885	27.0
98.97586	18.3
103.05486	9.2
105.07026	15.6
107.02436	22.4
107.04950	29.0
109.02893	8.5
109.06523	14.3
111.04461	9.7
115.05472	15.8
117.06982	13.8
121.02862	13.3
121.06569	18.5
127.03913	29.5
131.04921	16.1
131.08534	9.5
132.08063	55.6
134.01927	8.6
134.03481	20.1
134.99673	11.4
135.04398	10.8
136.07500	10.5
143.29161	8.0
145.04956	20.3
145.06430	11.9
149.02347	57.3
149.05975	15.5
159.78477	8.1
162.01363	13.5
163.03871	15.5
163.07552	11.9
164.07062	82.0
167.07141	8.6
175.98660	9.7
177.05455	16.0
178.08643	34.7
184.02234	8.4
195.03421	8.2
195.05043	49.8
221.46941	9.3
223.04303	73.6
223.05896	12.1
223.14473	13.4
223.16856	14.7
225.04353	89.1
227.02220	19.0
242.34175	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	223.1328
Annotation	2-Hydroxyibuprofen
Peak:m/z	Relative Intensity
51.55412	0.9
53.03940	2.1
55.01871	1.6
55.05505	3.6
57.03430	1.5
57.07068	1.4
65.03909	1.2
67.05500	4.2
69.03423	6.2
69.07066	5.2
70.82343	1.8
71.04993	4.2
79.05479	6.8
81.03441	1.0
81.07050	6.1
83.04971	5.6
83.08618	3.4
85.02901	1.5
91.05473	11.0
93.07039	18.5
95.04966	5.3
95.08607	7.2
96.80134	0.8
97.02856	1.3
97.06540	2.6
97.10185	0.9
103.05472	2.0
105.07023	17.0
107.04937	3.3
107.08585	15.2
109.02906	1.0
109.06517	3.7
109.10151	2.8
111.04441	2.0
111.08121	1.1
115.05422	2.3
117.06989	7.6
119.08573	100.0
120.08929	2.0
121.02874	3.7
121.06499	16.0
121.10127	12.9
123.04419	2.6
123.08057	4.8
127.03848	1.2
129.07031	1.9
131.04939	1.8
131.08560	11.0
133.06474	1.2
133.10139	6.1
133.51135	0.9
135.04419	2.9
135.08055	11.2
135.11661	7.5
137.05977	1.7
137.09608	5.5
139.03871	1.1
139.07471	1.4
143.08458	1.0
144.09349	6.4
145.06459	3.8
145.10126	3.4
147.04401	1.0
147.08011	3.2
149.02322	7.0
149.05969	4.0
149.09581	5.8
149.13283	6.1
151.07500	1.2
152.06238	1.0
153.09068	1.5
155.71355	1.2
157.10071	1.6
159.08052	2.7
159.11684	63.6
160.12013	2.1
161.05945	1.1
161.09651	4.9
161.13298	3.9
162.03062	1.3
162.10455	1.8
163.03912	2.6
163.07574	4.0
163.11192	8.8
165.05453	1.4
165.09116	3.6
172.08853	1.3
177.05487	9.2
177.09167	5.7
177.12738	57.9
178.13144	2.2
178.56969	1.0
179.07027	4.0
179.10678	5.3
187.11224	2.3
191.07004	1.6
195.06505	2.3
195.08086	1.2
195.10106	1.1
195.13794	22.4
196.52498	1.0
205.08633	4.1
205.12225	33.5
206.12569	1.1
208.59369	0.9
223.05692	4.7
223.07698	2.3
223.09364	7.0
223.13234	17.0
224.09250	1.0
225.04205	2.0
227.02087	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1327
Annotation	(+/-)-6-Hydroxy-3-oxo-alpha-ionone
Peak:m/z	Relative Intensity
53.03935	3.1
55.01861	4.2
55.05505	22.6
57.03426	3.5
57.07064	2.3
59.04985	4.7
65.03934	1.7
67.05507	11.5
68.47832	2.0
68.94185	1.7
68.99773	2.3
69.03430	16.6
69.07068	8.9
69.11774	16.5
71.04971	6.5
79.05480	15.3
80.05009	1.7
81.03402	7.8
81.07038	14.1
83.04968	29.7
83.95151	1.6
85.02895	14.1
85.06557	10.0
91.05461	24.0
93.07034	44.9
95.04958	17.9
95.08591	18.8
96.08092	4.8
97.02866	3.4
97.06533	10.8
97.10143	5.6
99.04428	2.1
99.08068	2.4
101.05988	1.9
105.04439	2.7
105.07024	29.3
107.04931	7.4
107.08585	26.8
109.02818	2.4
109.06503	26.4
109.10139	7.6
111.04418	3.0
111.08075	10.8
113.06018	8.8
115.05457	4.6
117.06996	13.0
119.08554	23.6
121.06503	44.4
121.08395	3.3
121.10123	29.5
123.04408	4.7
123.08060	20.9
125.02309	4.0
125.05990	4.3
125.09631	2.7
128.06216	2.5
129.07037	4.8
130.06529	8.9
130.07773	2.9
131.04944	2.2
131.06865	30.8
131.08521	11.6
132.04443	2.6
133.04790	3.3
133.06458	2.2
133.10118	17.5
135.04398	6.0
135.08035	36.5
135.11678	17.2
137.05930	4.1
137.09599	17.2
139.07504	7.8
139.11142	2.4
143.08519	2.9
144.09294	5.9
145.06503	3.5
145.10097	14.9
146.07225	2.7
147.08028	6.4
148.07498	2.0
149.02332	16.6
149.05956	6.5
149.07835	7.3
149.09605	100.0
149.13190	4.2
151.03944	1.8
151.07515	2.4
151.11143	6.7
153.09061	3.5
159.06339	12.7
159.07986	6.1
159.11674	26.0
160.08684	3.9
161.09613	19.0
162.06487	1.8
162.07837	1.6
163.03856	4.0
163.07590	9.6
163.11174	31.2
165.09134	13.0
167.06998	6.0
172.08791	6.1
175.11121	4.3
176.07031	4.0
177.05461	9.2
177.07379	33.1
177.09023	5.0
177.11267	2.9
177.12718	30.7
179.06973	3.1
179.10657	12.1
181.08603	2.8
181.12213	3.0
187.11168	14.4
195.06490	2.5
195.15004	3.9
205.04950	2.3
205.08524	3.7
205.12219	43.1
223.05933	8.3
223.09593	6.0
223.13251	70.6
223.16722	3.4
224.13467	2.5
225.04327	9.7
227.02081	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	223.1329
Annotation	Aristelegone D
Peak:m/z	Relative Intensity
53.03948	9.6
55.01853	7.8
55.05517	11.3
57.03431	2.3
57.07066	6.0
59.05003	12.0
60.19141	1.6
65.03918	3.5
67.05502	21.3
69.03432	21.7
69.07075	11.5
71.04977	2.6
71.31215	2.9
79.05495	20.2
81.03388	6.9
81.07064	16.8
83.04549	2.0
83.04987	28.0
83.08598	2.9
85.02892	3.5
85.06522	2.4
91.05477	59.9
93.07046	100.0
95.04963	25.8
95.08611	16.0
97.02858	6.4
97.06502	6.8
101.05972	2.6
102.47742	2.1
103.05455	12.8
105.03382	4.9
105.04501	3.7
105.07027	40.5
107.04942	13.0
107.07946	2.4
107.08596	35.4
109.06529	17.2
109.10128	9.8
111.04380	3.0
111.08060	8.8
113.05993	5.4
115.05431	8.0
116.06246	2.7
117.07037	21.2
119.04909	4.7
119.08575	23.1
121.06509	99.7
121.08378	3.5
121.10138	32.9
122.06784	2.1
123.04430	3.8
123.08070	10.9
125.09618	7.8
127.07512	7.2
128.06120	2.3
129.06993	9.9
130.06462	8.8
130.07733	3.8
131.04944	10.4
131.06909	21.6
131.08539	17.9
133.04774	4.5
133.06459	6.1
133.10117	11.2
135.04335	2.9
135.08061	21.1
135.11687	12.6
137.05902	6.3
137.09608	11.6
139.03867	2.1
139.07553	11.7
139.11139	2.1
142.07715	4.3
143.08516	3.1
144.05573	2.0
144.09291	7.2
145.06500	18.1
145.10106	22.8
147.04337	3.2
147.08070	9.8
147.11653	5.2
148.05057	2.1
149.02342	9.9
149.05927	8.9
149.07838	4.2
149.09622	79.7
149.10805	4.8
149.13268	3.9
151.03868	3.4
151.07506	4.0
151.11096	3.1
153.05432	2.0
153.09114	14.2
157.10139	14.2
159.06310	8.1
159.07991	7.4
159.11700	40.1
161.05966	7.7
161.09554	8.0
162.06750	2.6
163.03882	4.0
163.07526	13.7
163.11177	22.7
164.07056	2.5
165.09079	4.3
167.07005	4.6
169.10010	2.3
172.08757	7.9
173.05957	4.4
175.11180	35.9
176.06995	4.2
177.05421	7.2
177.07343	19.6
177.09061	7.2
177.12688	16.1
177.13956	2.6
179.07080	2.4
179.10854	9.5
181.08585	3.7
187.07553	2.2
187.11179	34.4
191.06950	6.4
193.04893	2.5
193.08470	2.4
193.12239	6.0
194.50114	2.0
195.06433	2.9
195.10117	2.2
200.83902	2.0
205.08543	6.6
205.12117	29.9
223.02408	2.2
223.05991	11.2
223.07944	2.6
223.09766	12.6
223.13219	68.4
223.14912	3.7
223.16782	3.3
225.04272	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	223.1328
Annotation	Aristelegone D
Peak:m/z	Relative Intensity
53.03936	2.9
55.01867	2.5
55.05506	6.8
56.02044	0.6
57.03429	1.3
59.05002	0.8
65.70914	0.6
67.05515	3.0
67.05836	0.6
69.03427	14.7
69.07069	0.9
69.36549	3.7
71.04617	0.8
71.04990	11.2
79.05477	4.2
80.87046	0.7
81.07052	4.8
83.04970	2.7
91.05480	9.6
93.07033	9.0
95.04985	4.3
95.08611	1.7
97.06506	1.1
103.05444	1.4
105.07022	25.6
107.04938	2.7
107.08591	6.1
109.06510	9.7
109.10135	1.6
115.05460	2.3
117.07007	5.6
119.04901	0.8
119.08576	7.6
121.06498	40.8
121.10143	2.7
123.08062	7.6
125.06022	0.7
125.24735	0.6
128.06216	4.2
129.06970	2.4
130.07788	1.4
131.04895	1.9
131.08562	6.8
133.06483	2.4
133.10121	31.3
135.04411	2.0
135.08044	32.2
135.11702	2.2
136.08333	0.8
137.05956	5.3
137.09613	2.9
141.06993	1.0
143.08531	6.4
144.09326	2.8
145.06451	2.8
145.10121	6.1
146.07256	15.7
147.08025	2.0
149.02319	2.7
149.05963	2.4
149.09608	3.9
149.13205	1.7
151.07550	1.4
157.06306	0.8
158.07281	1.0
159.08067	3.6
159.11682	13.1
161.09607	100.0
162.09988	2.8
163.03899	1.3
163.07539	9.5
163.11168	3.7
165.09114	2.5
165.87259	0.7
167.25497	0.7
169.10065	1.0
172.08803	5.2
175.07532	2.0
177.05421	0.7
177.09093	3.3
177.12726	15.8
179.10660	36.4
180.10934	1.0
187.11162	11.9
190.09825	1.8
202.67247	0.7
205.08638	1.0
205.12234	18.6
223.06036	1.8
223.09639	2.8
223.13274	61.5
224.13498	1.2
225.04262	1.1
235.52028	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1328
Annotation	Heteroplexisolide E
Peak:m/z	Relative Intensity
52.68487	1.3
53.03937	2.9
55.01873	3.2
55.05510	9.1
57.07069	3.7
58.87728	1.6
59.05014	3.4
67.05499	10.1
67.66544	1.5
67.89131	1.2
67.97431	1.5
69.03436	2.5
69.07061	15.3
71.04990	4.4
71.32626	2.0
79.05495	17.6
80.68074	1.3
81.03426	4.0
81.07059	14.8
83.04983	2.5
83.08620	7.4
83.09032	1.5
85.06525	2.0
87.38538	1.6
91.05467	7.6
93.03403	1.5
93.07042	13.3
95.04970	6.7
95.08616	15.0
97.02888	2.0
97.10166	3.6
103.05464	5.7
104.06260	11.9
105.07027	55.2
107.04957	4.4
107.08595	15.0
109.06518	6.7
109.10145	9.7
111.08089	3.3
117.07018	3.6
119.08564	2.8
121.06580	3.5
121.10129	12.2
122.03648	2.5
123.04443	1.8
123.11705	8.0
131.04922	8.1
131.05792	1.5
131.08611	4.6
132.05699	8.2
133.06491	55.7
133.10146	3.8
135.04407	3.4
135.08105	2.2
135.11707	7.2
137.05977	33.5
137.13210	2.8
139.07558	1.7
145.10135	3.3
147.11723	3.3
149.02371	4.3
149.06007	4.5
149.09648	2.1
149.13240	5.7
150.06758	100.0
151.07385	1.6
157.39246	1.8
159.11702	3.7
161.05951	2.0
163.07516	3.1
163.11238	2.0
163.14832	3.3
165.06964	2.6
165.09116	30.7
167.07108	2.1
167.08528	1.7
169.10182	1.9
177.05473	1.9
177.09106	2.5
177.12706	2.7
177.16441	2.1
187.14799	2.8
191.07121	1.7
195.08128	1.9
205.08629	4.1
205.12222	2.7
205.15903	2.2
205.19435	3.5
215.45114	2.0
223.07697	2.8
223.09613	3.7
223.13213	12.8
223.14784	2.0
223.16966	4.4
223.20627	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	223.1329
Annotation	Aristelegone D
Peak:m/z	Relative Intensity
53.03933	4.4
55.01873	6.8
55.05513	8.9
57.03439	3.9
57.07085	2.6
58.62237	1.0
59.04988	1.9
59.47134	1.3
62.63568	1.2
65.03934	3.3
67.05504	14.3
68.99779	1.4
69.03419	5.0
69.07066	19.2
69.29208	9.6
71.04990	19.4
79.05495	45.2
81.03393	2.2
81.07052	15.8
83.04984	5.5
83.08611	3.2
85.02886	2.3
85.06541	3.4
91.05479	32.2
93.07045	54.1
93.78623	1.1
95.04968	12.9
95.08613	11.4
97.02846	2.2
97.06530	6.2
97.10218	1.2
98.22567	2.8
99.08108	2.0
101.06006	1.6
103.05474	3.4
105.04517	1.3
105.07036	34.2
107.04955	30.0
107.08595	51.6
109.02847	1.8
109.06506	5.7
109.10184	9.6
111.04512	1.3
111.08090	2.2
114.39135	1.1
115.05440	4.0
116.06226	2.9
117.07030	13.7
119.04951	1.6
119.08575	13.8
120.51415	1.3
121.02871	6.7
121.06502	29.7
121.10144	44.0
123.04475	2.3
123.08078	4.1
123.11658	3.2
125.05972	2.9
125.09583	2.6
129.07002	6.4
130.07788	7.1
131.04929	2.3
131.08565	100.0
132.08853	2.8
133.06453	2.4
133.10133	5.2
135.04419	8.0
135.08086	6.6
135.11707	11.9
137.05969	3.2
137.09605	12.1
137.13252	1.6
139.07571	6.5
139.11253	1.4
143.08588	2.5
145.06485	2.5
145.10123	75.9
146.10374	1.4
147.08070	7.9
147.11705	3.7
149.02397	3.2
149.05992	5.9
149.09613	69.0
149.13313	2.6
150.09940	1.8
153.05447	1.7
153.09106	2.6
155.07059	2.0
159.08049	2.5
159.11696	3.8
161.09601	1.8
161.13223	1.6
163.03917	2.6
163.07539	3.1
163.11180	40.0
163.14824	1.5
165.09122	3.3
167.07037	12.2
173.09647	4.3
177.05475	3.0
177.09081	2.7
177.12746	3.9
179.10716	6.0
181.08589	5.6
181.12207	3.0
187.14763	1.8
191.10669	24.2
195.08031	1.9
205.08594	2.5
205.12256	18.2
205.15892	5.7
223.05968	4.2
223.07722	2.2
223.09637	5.2
223.13281	47.4
223.16693	12.0
223.20447	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1692
Annotation	Rishitin
Peak:m/z	Relative Intensity
51.31328	3.0
55.05511	14.7
57.03432	9.8
57.07065	4.8
59.04996	4.9
61.62249	3.0
62.60377	3.1
67.05505	23.3
69.03423	7.6
69.07060	25.1
70.30695	3.5
71.04998	3.7
71.31757	4.2
79.05486	15.5
81.07062	36.0
83.04980	8.7
83.08626	9.4
85.06538	5.7
91.05486	15.2
93.07049	34.6
95.04984	11.2
95.08614	45.4
96.08954	3.3
105.07035	41.3
107.07930	6.2
107.08601	72.8
108.75208	3.4
109.06535	7.4
109.10154	18.2
117.07020	4.6
119.08593	27.5
121.06516	11.9
121.10153	64.6
123.08077	11.5
123.11703	10.9
131.08578	12.8
131.09651	2.9
133.10146	18.4
135.08047	16.6
135.11699	24.5
137.09612	8.4
145.10146	35.8
147.11700	30.6
149.09627	12.3
149.13266	33.4
159.11720	4.5
159.31119	3.3
161.13237	8.7
163.07520	4.1
163.11183	9.7
163.14821	100.0
164.15341	3.3
166.39404	4.1
167.07091	3.6
172.12524	3.6
177.09039	8.0
177.16431	23.6
181.10086	4.3
184.93738	3.0
187.14806	25.1
193.10100	4.0
205.08556	19.4
205.15886	48.2
208.12363	4.1
223.09512	4.9
223.13132	7.0
223.14876	11.2
223.16972	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	223.2055
Annotation	(2Z,6E)-Farnesol
Peak:m/z	Relative Intensity
53.03923	2.9
54.51263	1.7
55.05505	48.3
57.03419	4.4
57.07077	22.3
58.08036	1.8
63.29631	1.5
65.03944	1.8
67.05150	3.2
67.05498	36.5
69.03419	4.6
69.07063	100.0
69.68917	1.9
71.04995	20.7
71.08624	8.5
71.32522	2.8
77.51498	1.8
79.05491	20.1
81.07054	55.2
83.04957	3.7
83.08616	62.8
85.02891	4.6
85.06542	30.5
85.10160	6.7
91.05466	14.3
93.07038	59.6
95.04951	4.8
95.08601	81.7
97.06506	7.8
97.10162	25.9
99.08077	6.4
105.07035	12.9
107.04936	3.3
107.08586	86.1
109.06519	3.5
109.10150	70.4
111.08057	16.4
111.11707	7.6
112.67522	1.6
113.09599	2.4
117.06979	3.0
119.08553	6.4
121.06497	3.4
121.10139	72.6
122.10434	1.9
123.04441	3.7
123.08086	3.7
123.11697	76.1
125.09623	9.9
127.11169	2.0
131.08542	4.2
133.10101	3.3
135.04381	2.7
135.08092	2.7
135.11684	47.6
135.73178	1.7
135.74286	1.7
137.09604	6.7
137.13251	31.0
139.11108	4.9
139.14796	11.9
145.06454	4.0
145.10112	5.7
147.11662	2.5
149.05994	1.9
149.09644	3.4
149.13249	43.1
151.14798	7.8
153.05464	10.9
153.12721	6.5
157.36359	1.9
159.07988	1.9
163.07570	2.7
163.11163	5.9
163.14790	15.6
165.16370	5.3
167.07083	3.6
167.14293	16.3
173.06041	2.2
173.09659	3.8
177.05437	8.4
177.12558	1.5
177.16322	10.5
178.06036	1.8
179.17941	12.2
181.08577	2.4
181.15814	3.2
187.07532	4.5
191.10666	9.5
205.08601	4.0
205.12306	4.1
205.19518	31.2
223.05859	4.1
223.07816	2.3
223.09630	7.5
223.13292	11.9
223.16980	5.4
223.20554	85.2
224.20985	2.8
240.56612	1.8
241.93045	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.2056
Annotation	(2Z,6E)-Farnesol
Peak:m/z	Relative Intensity
52.39159	1.2
53.03947	1.9
53.26753	1.2
53.71775	1.1
55.01851	1.4
55.05508	49.4
57.03426	5.0
57.06814	1.8
57.07075	25.9
59.04979	1.4
65.03944	1.9
67.05158	2.5
67.05498	35.0
69.03412	4.2
69.07065	100.0
69.47134	2.0
69.47540	5.8
71.04992	22.2
71.08625	7.6
79.05494	19.4
81.06568	2.1
81.07054	61.4
83.04980	3.5
83.08617	67.2
85.06541	36.2
85.10193	7.6
91.05472	13.1
93.07040	61.9
95.04959	3.4
95.08601	84.6
96.08907	1.4
97.06507	8.3
97.10160	26.9
98.23289	2.4
99.08087	5.9
103.05450	1.8
105.07012	13.0
107.04942	1.6
107.08591	84.5
109.06488	2.3
109.10153	75.7
111.08075	18.1
111.11712	8.6
113.09583	2.0
117.07056	2.1
119.08533	5.9
121.06529	2.2
121.10138	72.5
122.10373	1.4
123.11703	66.9
123.12626	3.4
124.12024	1.7
125.09603	9.9
125.13257	3.5
131.08530	2.8
133.10130	4.1
135.11687	40.1
137.05960	2.1
137.13239	29.5
139.11163	4.9
139.14806	9.9
145.06462	2.2
145.10074	2.7
147.11647	2.7
149.02330	1.7
149.09537	1.7
149.13251	45.4
150.13544	1.8
151.14827	6.3
153.12694	6.4
163.11188	2.9
163.14807	17.7
165.16380	5.1
167.07031	3.2
167.14305	16.0
177.05479	2.1
177.09096	5.0
177.16379	11.3
179.17935	14.8
181.15843	3.2
191.07016	1.4
195.10115	3.4
205.08575	8.2
205.15912	4.2
205.19510	31.6
208.07225	2.9
217.37851	1.3
223.06000	2.2
223.09589	20.2
223.13042	2.4
223.14922	2.2
223.16917	5.4
223.20552	82.0
224.20950	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.0763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	17.3
57.03423	15.3
58.02957	37.6
61.02891	14.1
67.00935	13.8
69.23336	99.1
70.06583	18.0
73.02914	19.6
84.04504	19.4
86.02419	18.9
87.04467	18.6
89.02396	12.8
94.28932	12.9
101.02333	33.1
102.60633	12.2
115.03917	51.7
129.01834	100.0
143.03314	18.0
152.01851	14.0
157.01349	30.2
161.04469	56.3
180.62706	15.5
189.03923	36.5
224.01755	17.5
226.04372	17.4
240.11913	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	224.9562
Annotation	Unknow
Peak:m/z	Relative Intensity
62.59046	2.3
71.30197	3.8
81.07034	2.6
85.02863	4.5
94.92398	5.8
94.93010	100.0
97.02914	3.6
101.00844	5.6
102.87810	2.6
102.96841	3.6
107.04942	3.0
116.98605	3.0
119.01940	5.9
119.04919	2.7
120.94520	3.7
136.94032	14.8
145.03516	5.3
164.93472	3.1
165.05426	2.7
173.02921	4.7
177.01030	7.1
187.54291	2.5
201.00690	3.1
202.00948	2.9
203.04088	3.3
219.01944	3.6
224.95609	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0757
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
52.84818	1.0
53.03938	2.1
54.67638	1.0
55.01874	2.4
55.05502	4.2
57.03424	1.3
57.07079	1.2
65.03925	5.6
67.05521	6.1
69.03419	3.1
69.07070	4.5
69.74409	1.7
69.74805	2.9
71.04996	2.3
72.90595	1.0
77.03921	2.5
79.05511	5.3
80.32597	1.0
81.03403	3.1
81.07057	9.7
82.98563	1.0
83.04974	2.8
83.08580	2.9
85.02899	2.5
85.06552	2.5
89.03918	1.8
91.05481	73.6
92.05750	1.8
93.07030	7.7
95.04958	8.1
95.08607	8.6
97.06541	4.9
98.23431	1.0
99.04498	1.3
99.08071	1.7
103.05457	3.4
105.03389	2.7
105.04518	1.4
105.07031	9.0
107.04935	5.9
107.08583	6.2
109.02803	1.0
109.06500	9.2
109.10160	3.8
111.04448	1.5
111.08070	2.2
117.06995	2.2
118.04150	7.8
119.04942	69.2
119.08593	6.5
120.05283	1.8
121.02824	2.3
121.06483	3.8
121.10162	4.9
122.03653	1.6
123.04427	4.9
123.08059	7.0
123.11713	2.7
125.05974	1.5
129.03348	1.7
131.08537	2.3
132.02057	5.6
133.02856	1.7
133.10132	3.9
135.04411	3.3
135.11696	1.8
136.05217	3.3
137.06018	5.8
137.09598	4.4
139.11188	3.2
140.04790	1.1
141.07031	1.7
143.08516	1.7
145.02870	1.7
145.10136	1.9
146.03622	2.4
147.04405	51.7
147.07971	1.3
147.11710	4.9
148.04785	1.3
149.02325	10.5
149.09590	1.8
150.02950	1.3
151.03909	2.8
151.07535	3.2
152.06207	2.4
153.05486	3.2
153.06981	4.0
155.08621	2.2
157.03949	5.8
161.09650	2.4
161.13263	3.8
162.03123	1.2
163.03906	3.6
163.11197	1.4
164.04666	6.1
165.05450	3.1
165.09111	3.9
165.12750	3.5
167.07072	7.6
167.08434	1.8
169.10066	1.6
171.11652	2.0
174.03198	2.2
175.03905	84.2
176.04329	2.6
177.01852	3.4
179.07080	8.6
179.10722	1.2
179.14305	1.8
180.04173	2.6
181.05078	1.2
181.06439	5.0
183.06520	2.5
183.11676	1.7
189.12708	3.3
192.04169	24.2
192.80733	1.1
193.04910	3.3
195.13799	1.7
197.06046	1.7
197.09734	1.6
197.13208	1.5
198.64038	1.0
207.06517	100.0
207.13718	5.7
208.06824	2.9
210.06921	1.6
225.05540	1.7
225.09061	4.0
225.11092	1.8
225.14874	6.3
225.18472	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0757
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84818	1.0
53.03938	2.1
54.67638	1.0
55.01874	2.4
55.05502	4.2
57.03424	1.3
57.07079	1.2
65.03925	5.6
67.05521	6.1
69.03419	3.1
69.07070	4.5
69.74409	1.7
69.74805	2.9
71.04996	2.3
72.90595	1.0
77.03921	2.5
79.05511	5.3
80.32597	1.0
81.03403	3.1
81.07057	9.7
82.98563	1.0
83.04974	2.8
83.08580	2.9
85.02899	2.5
85.06552	2.5
89.03918	1.8
91.05481	73.6
92.05750	1.8
93.07030	7.7
95.04958	8.1
95.08607	8.6
97.06541	4.9
98.23431	1.0
99.04498	1.3
99.08071	1.7
103.05457	3.4
105.03389	2.7
105.04518	1.4
105.07031	9.0
107.04935	5.9
107.08583	6.2
109.02803	1.0
109.06500	9.2
109.10160	3.8
111.04448	1.5
111.08070	2.2
117.06995	2.2
118.04150	7.8
119.04942	69.2
119.08593	6.5
120.05283	1.8
121.02824	2.3
121.06483	3.8
121.10162	4.9
122.03653	1.6
123.04427	4.9
123.08059	7.0
123.11713	2.7
125.05974	1.5
129.03348	1.7
131.08537	2.3
132.02057	5.6
133.02856	1.7
133.10132	3.9
135.04411	3.3
135.11696	1.8
136.05217	3.3
137.06018	5.8
137.09598	4.4
139.11188	3.2
140.04790	1.1
141.07031	1.7
143.08516	1.7
145.02870	1.7
145.10136	1.9
146.03622	2.4
147.04405	51.7
147.07971	1.3
147.11710	4.9
148.04785	1.3
149.02325	10.5
149.09590	1.8
150.02950	1.3
151.03909	2.8
151.07535	3.2
152.06207	2.4
153.05486	3.2
153.06981	4.0
155.08621	2.2
157.03949	5.8
161.09650	2.4
161.13263	3.8
162.03123	1.2
163.03906	3.6
163.11197	1.4
164.04666	6.1
165.05450	3.1
165.09111	3.9
165.12750	3.5
167.07072	7.6
167.08434	1.8
169.10066	1.6
171.11652	2.0
174.03198	2.2
175.03905	84.2
176.04329	2.6
177.01852	3.4
179.07080	8.6
179.10722	1.2
179.14305	1.8
180.04173	2.6
181.05078	1.2
181.06439	5.0
183.06520	2.5
183.11676	1.7
189.12708	3.3
192.04169	24.2
192.80733	1.1
193.04910	3.3
195.13799	1.7
197.06046	1.7
197.09734	1.6
197.13208	1.5
198.64038	1.0
207.06517	100.0
207.13718	5.7
208.06824	2.9
210.06921	1.6
225.05540	1.7
225.09061	4.0
225.11092	1.8
225.14874	6.3
225.18472	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.112
Annotation	Senkyunolide I
Peak:m/z	Relative Intensity
55.05507	2.2
57.03417	1.9
57.07083	9.4
59.04992	1.5
67.01858	1.5
67.05501	12.8
67.05862	0.6
68.78600	0.6
68.99791	2.0
69.03430	1.3
69.07056	0.9
69.91396	0.7
72.98509	0.6
77.51376	0.7
79.05485	2.9
81.07053	7.5
83.01339	8.0
85.06549	22.3
91.05470	1.9
93.07056	1.0
95.04980	3.7
95.08602	1.9
97.06559	0.8
99.08072	1.7
105.07030	0.8
107.04988	1.1
109.06513	11.2
109.10171	1.3
119.08618	1.2
123.04429	6.9
123.08057	1.2
125.05998	2.5
127.07554	10.5
133.10188	0.8
137.05978	48.5
137.09581	1.0
141.05452	9.5
141.09087	0.8
143.08565	1.2
147.04378	1.1
151.03963	1.8
151.07516	4.3
153.05478	23.9
155.08545	1.1
161.09636	2.3
163.07591	1.4
164.04764	1.0
165.05484	34.6
165.09134	3.1
166.05809	1.2
167.03395	5.0
167.07063	3.4
169.04965	98.4
170.05299	2.6
174.06746	1.5
177.05446	1.2
178.06238	3.3
179.07088	3.2
179.10690	8.6
183.06538	5.6
183.10161	1.0
183.11649	0.9
189.09074	5.0
192.07751	1.3
207.10170	39.7
208.10623	0.8
225.11217	100.0
226.11516	3.0
231.94695	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.3
55.01874	3.3
55.05503	14.2
57.03437	1.8
65.03936	1.9
67.05497	17.8
69.03422	21.4
69.07064	5.0
69.25173	6.9
71.04985	6.9
79.05484	26.8
81.03422	1.4
81.07049	16.5
83.04970	28.7
83.21995	0.9
85.06546	1.6
86.91872	1.0
87.04469	1.9
91.05476	22.9
93.07039	13.9
95.04956	17.5
95.05501	1.1
95.08600	7.2
97.02900	2.5
97.06526	11.3
99.04462	4.7
101.06051	1.3
103.05485	1.3
105.03420	1.5
105.07024	34.0
105.07719	1.7
107.04951	25.3
107.05660	1.4
107.08588	10.0
108.05746	1.8
109.02930	1.5
109.06507	10.1
109.10148	35.4
109.10867	1.8
111.04433	22.2
111.05155	1.4
113.06026	2.3
115.05480	1.9
117.06986	6.5
119.04991	2.9
119.08573	32.7
119.09402	1.8
121.06495	7.8
121.10128	9.1
123.04375	7.8
123.08086	4.8
123.11710	2.0
125.05990	8.4
128.06216	11.0
129.06215	1.1
129.06989	6.2
130.07794	1.5
131.08595	3.4
132.05795	0.9
133.02866	1.3
133.06526	3.1
133.10107	23.7
135.08026	5.4
135.11690	8.1
137.05959	5.5
137.09604	55.6
139.07594	1.5
139.11224	3.1
143.07095	2.8
143.08545	19.3
143.09607	1.3
145.06503	3.6
145.10065	4.6
146.07220	6.5
147.04417	1.0
147.08023	30.3
147.09116	2.2
147.11667	6.4
148.08736	1.9
149.09639	4.6
151.03934	2.6
151.07570	2.1
151.11255	3.5
153.05476	2.1
156.09352	1.8
159.08078	2.4
159.11699	2.7
161.09598	100.0
161.13252	6.0
162.09995	3.3
163.07767	1.2
163.11180	6.4
165.05490	3.5
165.09100	45.2
166.09514	1.1
167.07069	4.9
171.08078	2.4
171.11731	2.1
174.06779	2.4
174.10370	2.0
177.12842	2.6
179.07124	2.1
179.10651	13.7
180.04259	4.2
183.06450	1.3
187.32640	1.0
189.09085	8.4
189.12721	10.9
193.04958	2.8
195.06564	1.8
197.06010	1.2
197.11798	2.8
207.06721	1.3
207.10155	16.1
207.13857	4.3
213.42181	1.0
225.05716	1.4
225.07608	2.0
225.11188	23.8
225.14578	4.7
226.11636	1.3
246.23785	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.112
Annotation	CHEBI:79226
Peak:m/z	Relative Intensity
51.02382	0.8
53.03955	4.1
55.01860	2.1
55.05247	0.9
55.05509	15.0
57.03419	2.4
59.25780	0.7
65.03932	1.9
67.05501	16.9
69.03426	17.7
69.07054	4.8
71.04985	5.9
71.32938	0.9
77.03935	1.7
79.05491	23.9
81.03384	0.8
81.07053	11.9
83.04977	23.3
85.02883	0.8
85.06528	0.7
91.05478	20.2
93.07046	10.6
95.04391	1.3
95.04960	15.2
95.08604	6.8
97.02880	2.5
97.06526	9.6
99.04449	5.0
103.05476	1.0
105.03386	0.9
105.04479	1.4
105.07027	27.9
107.04945	24.8
107.08584	9.5
108.05784	0.9
109.02911	1.6
109.06513	10.1
109.10150	36.6
110.10477	1.5
111.04435	16.5
113.02338	0.9
113.06043	1.7
115.05428	1.2
117.07017	4.3
119.04945	2.1
119.08572	24.5
121.02827	0.8
121.06476	7.8
121.10140	6.5
123.04405	4.1
123.08057	4.0
123.11672	1.1
125.05995	7.0
128.06218	11.4
129.07057	5.1
130.07787	1.3
131.04906	0.9
131.08557	2.6
133.06494	3.7
133.10121	20.6
134.10452	0.9
135.08041	5.1
135.11676	5.1
135.18449	0.7
137.06017	5.4
137.09608	51.7
138.09904	1.1
139.11183	2.0
141.06921	1.3
143.07109	1.9
143.08543	21.4
145.06439	1.7
145.10126	3.3
146.07242	5.9
147.08038	30.9
147.11674	2.8
148.08727	2.3
148.14919	0.7
149.09625	4.0
151.03854	1.9
151.07524	1.6
151.11163	2.9
156.09338	1.3
159.08070	2.9
159.11676	1.5
161.09607	100.0
161.13182	4.1
162.09949	3.1
163.03809	0.8
163.11153	6.3
165.05469	1.4
165.09103	42.7
165.12733	1.2
166.09503	0.9
167.07030	3.2
171.08029	2.1
171.11736	1.3
174.06783	1.4
174.10432	1.2
177.12746	2.7
179.00511	0.7
179.07030	1.6
179.10661	13.3
180.04146	1.7
180.10962	0.9
181.12321	0.8
189.09082	9.3
189.12762	7.8
190.91412	0.7
193.04951	1.5
195.06606	0.8
197.11703	3.4
207.06598	1.3
207.10149	15.3
207.13815	2.5
225.07506	2.0
225.11176	20.0
225.14845	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	225.1121
Annotation	Senkyunolide I
Peak:m/z	Relative Intensity
53.03956	0.6
53.57908	0.5
55.05508	1.9
57.03432	1.7
57.07072	9.7
59.04996	0.8
64.41569	0.5
65.03938	2.6
67.01858	1.2
67.05506	8.9
68.99801	1.4
69.03428	0.8
71.01366	0.7
71.32213	0.9
79.05486	3.0
81.03409	0.8
81.07057	5.4
81.69500	0.6
83.01336	4.7
83.04982	0.8
85.06542	15.0
91.05482	100.0
93.07035	0.6
95.04962	2.4
95.08580	0.7
99.04465	0.8
99.08079	1.5
105.07027	1.3
107.04905	1.2
108.11164	0.5
109.05850	0.9
109.06519	8.6
109.10170	0.7
119.08550	0.9
121.06500	0.9
121.10175	0.6
123.04432	4.8
123.08073	2.0
125.02353	0.8
125.05996	1.3
127.07552	5.9
128.06241	0.7
133.10217	0.7
134.06006	0.8
137.05977	35.9
137.09592	0.7
138.06276	0.7
141.05453	7.6
143.08574	1.2
147.04443	1.2
148.07545	3.7
151.03914	1.5
151.07558	4.1
153.04228	1.1
153.05469	21.8
153.28339	0.5
155.08585	0.6
161.09619	1.5
163.07581	0.6
165.05481	32.8
165.06856	1.3
165.09134	2.2
166.07756	0.8
167.03374	4.4
167.07054	3.4
169.04962	92.4
170.05313	1.7
174.06758	1.5
177.05453	0.7
178.06265	2.3
179.07074	3.5
179.10652	7.4
181.08678	0.7
181.10133	5.3
183.06503	5.3
183.10130	0.7
189.09050	2.7
192.07741	1.0
207.10165	30.5
208.10535	0.7
225.11206	94.1
225.14824	3.8
226.12186	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	225.1121
Annotation	Vibralactone B
Peak:m/z	Relative Intensity
53.03936	1.0
55.01892	0.9
55.05511	1.6
57.07075	11.1
59.05001	2.0
65.03933	1.0
67.01866	0.9
67.05501	4.7
68.99796	1.4
69.03421	1.4
69.07072	1.1
69.99918	1.1
71.04991	0.9
77.03928	0.5
79.05492	2.5
81.03434	0.5
81.07056	4.8
83.01349	2.9
83.04974	1.2
83.08624	0.9
85.06542	5.8
90.33658	0.4
91.05483	5.0
93.07043	1.7
95.04965	3.0
95.08624	2.3
95.09122	0.4
97.06566	0.8
99.04449	0.8
99.08079	1.1
105.07054	2.0
106.07343	0.4
107.04964	1.4
107.08586	1.8
109.06528	5.8
109.10158	1.5
117.00025	0.4
119.04935	2.7
119.08585	2.1
121.06516	0.8
121.10136	1.7
123.04427	5.4
123.08078	1.8
125.02347	0.6
125.05990	2.0
127.07555	1.5
129.07019	0.5
131.08537	0.5
133.02916	0.5
133.06554	0.4
133.10129	1.3
135.07997	0.6
135.11719	0.7
137.05974	31.5
137.09616	1.1
138.06310	0.8
139.03838	0.4
139.07454	0.4
139.11172	0.8
141.05476	6.8
143.08598	0.7
143.56287	0.4
145.10150	0.5
147.04402	2.6
147.08035	0.4
147.11690	0.7
149.02264	0.4
149.05988	0.4
150.03096	0.6
151.03899	1.8
151.07526	2.8
153.05466	23.0
154.05801	0.7
154.24834	0.4
155.08577	0.5
157.10081	0.4
161.05919	0.5
161.09615	1.9
161.13249	0.8
163.03883	0.9
164.04671	1.3
165.05478	36.0
165.09128	1.8
166.05907	0.6
167.03380	5.1
167.07048	6.5
169.04956	98.5
169.10086	1.4
170.05298	1.7
174.06790	0.6
175.03920	3.8
177.05391	0.7
178.06259	1.1
179.07080	5.5
179.08493	0.8
179.10686	6.2
180.04147	1.1
180.85408	0.4
181.08621	0.7
182.07231	0.5
183.06522	6.1
183.11661	0.6
188.37798	0.4
189.09105	2.3
192.04160	1.2
192.07877	1.1
193.04938	1.1
197.09567	0.5
207.06625	3.3
207.10156	19.8
207.13730	1.1
208.10493	0.8
210.06737	0.5
220.10800	0.4
225.11197	100.0
226.11511	3.3
243.33710	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1119
Annotation	CHEBI:79226
Peak:m/z	Relative Intensity
53.03946	4.3
55.01874	3.3
55.05503	14.2
57.03437	1.8
65.03936	1.9
67.05497	17.8
69.03422	21.4
69.07064	5.0
69.25173	6.9
71.04985	6.9
79.05484	26.8
81.03422	1.4
81.07049	16.5
83.04970	28.7
83.21995	0.9
85.06546	1.6
86.91872	1.0
87.04469	1.9
91.05476	22.9
93.07039	13.9
95.04956	17.5
95.05501	1.1
95.08600	7.2
97.02900	2.5
97.06526	11.3
99.04462	4.7
101.06051	1.3
103.05485	1.3
105.03420	1.5
105.07024	34.0
105.07719	1.7
107.04951	25.3
107.05660	1.4
107.08588	10.0
108.05746	1.8
109.02930	1.5
109.06507	10.1
109.10148	35.4
109.10867	1.8
111.04433	22.2
111.05155	1.4
113.06026	2.3
115.05480	1.9
117.06986	6.5
119.04991	2.9
119.08573	32.7
119.09402	1.8
121.06495	7.8
121.10128	9.1
123.04375	7.8
123.08086	4.8
123.11710	2.0
125.05990	8.4
128.06216	11.0
129.06215	1.1
129.06989	6.2
130.07794	1.5
131.08595	3.4
132.05795	0.9
133.02866	1.3
133.06526	3.1
133.10107	23.7
135.08026	5.4
135.11690	8.1
137.05959	5.5
137.09604	55.6
139.07594	1.5
139.11224	3.1
143.07095	2.8
143.08545	19.3
143.09607	1.3
145.06503	3.6
145.10065	4.6
146.07220	6.5
147.04417	1.0
147.08023	30.3
147.09116	2.2
147.11667	6.4
148.08736	1.9
149.09639	4.6
151.03934	2.6
151.07570	2.1
151.11255	3.5
153.05476	2.1
156.09352	1.8
159.08078	2.4
159.11699	2.7
161.09598	100.0
161.13252	6.0
162.09995	3.3
163.07767	1.2
163.11180	6.4
165.05490	3.5
165.09100	45.2
166.09514	1.1
167.07069	4.9
171.08078	2.4
171.11731	2.1
174.06779	2.4
174.10370	2.0
177.12842	2.6
179.07124	2.1
179.10651	13.7
180.04259	4.2
183.06450	1.3
187.32640	1.0
189.09085	8.4
189.12721	10.9
193.04958	2.8
195.06564	1.8
197.06010	1.2
197.11798	2.8
207.06721	1.3
207.10155	16.1
207.13857	4.3
213.42181	1.0
225.05716	1.4
225.07608	2.0
225.11188	23.8
225.14578	4.7
226.11636	1.3
246.23785	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1121
Annotation	Vibralactone B
Peak:m/z	Relative Intensity
53.03943	0.7
54.04848	0.5
55.01877	1.1
55.05514	2.7
57.03432	0.8
57.07075	10.6
57.64071	0.4
59.05003	1.6
65.03953	1.1
65.91286	0.5
67.01862	1.4
67.05499	5.1
68.99787	1.8
69.03429	1.8
70.66682	1.0
71.01335	0.6
79.05499	2.6
81.07064	6.2
81.48016	0.6
83.01334	3.8
83.04989	1.4
85.06550	4.6
91.05479	4.7
93.07049	2.3
95.04961	3.1
95.08608	3.1
96.03581	0.5
97.02894	0.6
97.06515	0.9
99.04444	0.7
99.08092	1.4
102.74368	0.5
105.07015	2.6
107.04949	1.4
107.08585	1.9
109.06513	6.7
109.10179	1.5
119.04922	3.0
119.08565	1.6
121.06501	1.1
121.10122	1.0
123.04432	6.1
123.08073	1.6
123.11697	0.7
125.06004	2.0
127.07579	1.3
133.02917	0.6
133.10129	2.0
137.05975	38.4
137.09589	1.3
138.06297	0.6
139.03922	0.8
141.05452	8.8
143.08530	1.2
147.04443	3.2
149.05887	0.6
149.13081	0.6
151.03886	1.5
151.07553	3.6
153.05469	22.6
158.94234	0.5
161.09619	1.7
161.13269	1.5
163.03888	0.9
164.04639	0.6
165.05479	36.5
165.09119	1.3
165.12735	0.9
166.05772	0.6
167.03380	4.8
167.07051	5.3
169.04959	100.0
170.05325	2.3
174.06700	0.7
175.03928	2.2
178.06248	1.2
179.07050	4.8
179.08493	1.1
179.10657	5.3
180.04140	1.2
181.08600	1.1
181.10048	0.7
183.06531	6.0
189.09102	2.5
192.04196	1.3
192.07799	1.9
193.04951	1.0
207.06607	4.1
207.10159	16.7
207.13808	1.1
225.11206	79.4
225.16341	1.9
226.09428	0.5
226.11449	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	225.1484
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
55.05504	9.5
57.07077	3.8
59.04992	5.2
67.05503	23.6
69.03428	3.7
69.07070	2.5
69.64548	12.2
69.64964	4.9
75.01985	2.3
78.33347	2.5
78.40968	2.2
79.05487	3.9
81.07063	14.0
83.04987	4.2
85.02901	39.2
85.06547	8.4
91.05497	7.4
93.07036	9.5
95.04940	6.9
95.08601	100.0
95.74651	2.6
96.09016	2.8
97.10191	2.7
98.22616	3.5
105.07040	10.6
107.04945	4.4
107.08606	10.1
109.06544	7.9
109.10144	8.2
113.05980	8.5
119.08576	23.2
119.66389	2.9
120.02067	2.3
121.06521	4.8
121.10154	11.0
123.04465	5.7
123.08067	33.7
123.11705	31.7
135.11691	7.5
137.09647	5.5
141.09109	6.4
147.08084	3.6
147.11693	7.6
149.09598	17.0
151.07574	5.0
155.06921	2.8
161.13284	11.1
163.11320	3.0
165.09067	7.2
165.12740	5.7
167.07013	13.3
173.09877	2.4
179.14311	4.9
183.06638	3.3
189.12698	7.9
193.04929	5.8
207.13737	20.1
225.14835	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	225.1485
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
55.01866	1.5
55.05518	5.1
56.46260	0.8
56.92294	0.7
57.03441	4.1
57.07085	1.5
59.05001	1.4
65.03928	0.9
67.05509	7.5
69.03275	9.2
69.07057	3.0
71.04988	2.6
73.65439	0.8
77.03922	1.0
79.05495	7.1
81.03378	0.8
81.07056	10.8
83.04988	25.7
85.02914	1.1
85.06530	1.9
89.03931	0.8
91.05483	11.0
91.88486	0.8
93.07059	8.2
94.99918	0.8
95.04965	7.5
95.08601	12.4
97.02855	0.9
97.06517	3.4
98.22522	1.6
99.04436	1.8
99.08096	12.1
101.06007	1.0
103.05498	1.0
105.07022	12.4
107.04948	3.2
107.08603	11.8
109.06526	30.9
109.10143	2.9
111.04451	17.8
111.08073	1.6
112.60703	0.9
115.05499	1.7
117.06987	0.9
119.04944	4.9
119.08588	7.9
121.06516	7.4
121.10159	11.4
123.04433	2.9
123.08071	100.0
123.11693	1.9
123.40582	0.9
124.08414	2.2
125.05991	1.7
125.09624	7.6
127.07565	3.3
131.04942	0.8
131.08534	0.9
133.06462	1.6
133.10133	5.0
135.04433	1.1
135.08080	1.1
135.11696	2.2
137.05978	3.4
137.09613	5.5
137.13278	0.9
138.48895	0.8
139.11157	1.6
141.07018	6.1
141.09117	1.4
145.10152	1.5
145.33020	0.8
147.04407	3.2
147.08035	2.0
147.11703	4.6
149.02277	0.9
149.09612	10.2
151.03874	3.7
151.07523	3.8
151.11127	5.8
153.05438	0.9
157.03926	0.9
161.09631	1.9
161.13261	2.0
163.03781	0.8
163.11226	4.9
165.05502	1.6
165.09142	2.6
165.12785	4.8
167.07042	3.3
167.10687	8.4
169.06494	6.7
171.11668	1.3
175.03961	4.9
178.08031	0.8
179.07140	1.2
179.08498	0.8
180.04134	2.5
181.12256	2.5
182.07254	1.3
183.10149	1.2
189.09109	1.0
189.12770	3.4
192.04202	1.8
193.04955	2.0
193.08562	4.9
197.05992	14.8
207.06531	6.5
207.08167	1.2
207.10175	1.9
207.13826	10.2
225.05676	4.6
225.07277	1.5
225.09091	4.5
225.11223	3.2
225.14789	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	225.1485
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
50.45181	2.1
53.03944	5.9
55.01866	3.0
55.05512	17.9
57.03418	4.4
59.35786	2.0
59.68251	2.2
61.20207	1.8
65.03941	2.2
67.05508	18.3
67.49319	2.2
69.03425	17.9
69.07046	8.4
69.23160	2.2
70.80486	3.7
71.05015	5.0
79.05490	29.9
81.07059	25.4
83.04974	6.8
85.02910	21.0
85.06529	2.9
91.05482	47.2
93.07043	100.0
95.04973	17.8
95.08595	31.1
97.06528	8.8
99.04428	4.2
105.07024	40.6
106.03992	2.2
107.04925	12.0
107.08590	98.6
109.06522	26.9
109.10146	24.3
111.04464	2.6
111.08106	2.3
111.72082	2.0
115.05483	2.7
117.07027	10.3
119.04960	4.1
119.06020	3.4
119.08575	64.0
121.06519	27.3
121.10143	87.5
122.07250	2.7
123.04411	6.1
123.08075	63.1
123.11704	12.8
125.09627	2.5
128.06204	3.1
129.06982	4.8
130.07814	5.4
131.08543	6.0
132.05699	2.6
133.06470	2.8
133.07466	2.2
133.10135	15.2
135.07062	3.3
135.08061	63.6
135.11688	61.0
137.05968	5.8
137.09612	68.3
143.08556	2.3
145.06554	2.9
145.10121	18.3
147.04460	3.8
147.08052	27.3
147.11678	8.9
149.09605	13.4
149.13242	2.9
151.07523	11.8
151.11192	8.6
156.09367	2.8
159.11688	4.1
161.09615	4.6
161.13214	10.1
163.03902	3.1
163.11172	40.9
165.05415	5.7
165.09114	75.0
165.12749	4.3
167.07033	4.9
167.10661	7.1
171.11655	3.0
175.03821	2.8
177.12782	8.5
179.10657	3.5
179.14334	2.9
180.04147	6.3
181.12230	46.6
183.06528	3.6
189.12729	11.9
193.04945	8.3
195.06374	2.7
202.78418	2.5
207.06494	3.4
207.13815	13.1
225.07561	5.2
225.14804	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	225.1484
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
52.12875	2.6
53.03935	3.4
55.01866	5.5
55.05510	31.7
57.03418	3.9
57.07064	3.7
65.03944	8.9
67.05502	26.0
69.03429	20.9
69.07069	13.6
69.82420	6.1
69.82813	6.4
71.04995	8.5
79.05482	28.6
81.03410	2.9
81.07059	33.2
83.04980	16.6
83.08633	5.3
85.06535	6.7
91.05476	30.1
93.07043	76.4
95.04968	18.7
95.08602	61.7
97.06532	13.0
99.04451	8.0
99.08090	5.8
101.05997	2.4
105.07030	40.1
107.04945	9.9
107.08592	87.4
108.02073	5.1
109.06518	22.8
109.10156	24.9
111.04466	4.9
111.08073	6.5
113.06005	3.2
117.07003	8.9
119.04951	4.7
119.08578	54.3
119.09411	4.1
120.08067	2.8
121.06513	22.5
121.10146	80.0
123.04437	10.0
123.08056	61.0
123.11698	4.0
125.06042	3.0
125.09648	7.6
128.06241	3.7
129.07013	6.1
130.07713	3.0
131.08559	8.3
133.06459	3.1
133.10123	20.5
135.08060	47.3
135.11693	55.3
135.12650	4.9
137.09630	34.2
137.13231	7.3
138.09993	3.2
138.75327	3.0
139.07646	2.8
141.06979	5.8
141.09131	8.5
143.08546	4.6
145.10130	13.7
147.08064	23.7
147.11653	19.1
149.09639	19.1
149.13286	4.7
151.03922	100.0
151.05051	15.5
151.07507	8.3
151.11156	15.1
151.14775	11.9
156.09395	3.3
159.11714	4.1
161.09593	11.3
161.13254	30.5
163.11176	24.5
165.05446	3.8
165.09109	50.8
165.12752	5.5
167.07048	3.5
167.10710	14.6
169.06523	4.9
171.11630	4.3
177.12717	10.2
179.10675	4.1
179.14316	41.7
181.12247	35.3
183.06586	4.0
189.09087	3.2
189.12738	10.2
193.04977	3.4
197.05959	11.7
198.14940	3.2
207.06418	5.0
207.10187	4.1
207.13795	18.6
225.05473	7.1
225.07399	4.5
225.09262	6.2
225.11281	4.4
225.14804	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1484
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03955	3.8
55.05503	11.6
56.32446	3.2
57.03436	3.7
57.07061	3.9
67.05499	15.9
69.03436	16.9
69.07062	11.4
69.10500	3.0
71.04986	14.0
71.13928	6.1
74.20817	2.8
79.05492	26.4
81.03388	3.6
81.07055	16.9
83.04971	9.5
85.06524	7.0
91.05485	26.4
93.07041	47.5
95.04974	21.5
95.08601	36.5
97.06508	18.6
105.07030	31.4
107.04968	9.2
107.08591	57.4
109.06516	100.0
109.10148	11.6
111.01283	3.1
117.07018	10.1
119.08574	48.8
121.06487	10.6
121.10146	36.4
122.14407	3.0
123.04458	4.3
123.08060	37.3
123.11719	4.1
123.37155	3.2
125.09561	3.2
128.06210	6.2
129.07014	5.2
131.08577	17.4
133.06496	4.9
133.10115	11.0
135.08052	66.0
135.11667	21.0
137.05951	4.1
137.09605	43.0
139.07521	20.1
139.11183	12.7
141.06929	3.9
143.08507	16.3
145.10127	26.8
147.04376	7.1
147.08023	23.6
147.11682	30.2
149.09581	38.7
151.03905	17.6
151.07515	7.5
151.11189	3.2
156.09349	13.0
159.11687	19.1
160.08810	3.8
161.09625	8.9
161.13257	11.4
163.11192	39.5
164.04735	3.9
165.05421	5.5
165.09100	43.1
165.12762	6.8
167.07042	6.7
167.10649	6.4
171.11693	19.2
177.12720	17.6
179.07016	7.1
179.10703	7.3
180.04263	3.4
181.12227	10.7
183.06506	3.6
189.12749	66.7
193.04941	5.1
207.06464	5.2
207.10078	4.6
207.13782	54.3
207.15555	5.0
210.05177	6.1
225.03877	4.8
225.07611	10.8
225.11075	8.5
225.14828	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	225.1485
Annotation	MKN-003A
Peak:m/z	Relative Intensity
55.01864	0.6
55.05510	1.8
57.07074	100.0
58.07415	1.0
65.03953	1.2
67.05508	4.5
69.07085	1.6
69.34092	2.3
69.34493	1.5
71.04996	1.3
79.05485	2.1
81.03446	0.9
81.07061	4.6
83.04989	0.8
83.08620	1.2
85.06541	59.1
91.05506	2.2
93.07054	1.9
95.04965	1.7
95.08597	5.3
97.06548	1.2
99.08083	0.9
105.07045	2.8
107.05006	1.7
107.08604	1.7
109.06562	2.3
109.10168	1.3
111.04439	0.8
111.08092	1.2
115.05536	0.8
119.04962	1.2
119.08598	4.4
121.10166	2.2
123.04475	1.8
123.08073	5.3
123.11655	0.7
125.06056	0.9
127.07573	0.8
133.10138	1.6
135.08189	0.6
135.11807	0.6
137.05997	2.2
141.07050	1.0
141.09152	2.3
145.10246	0.7
147.08089	1.2
147.11655	0.9
149.09779	0.7
151.03972	0.7
151.07562	2.6
153.05551	0.8
155.08554	1.8
161.09654	0.9
161.13290	1.2
163.71288	0.6
164.92950	0.6
165.05522	2.3
165.06955	0.9
167.07111	2.4
167.08669	0.8
169.04994	0.8
169.10194	2.0
179.07100	1.2
179.08563	0.8
179.10706	0.6
179.14293	1.2
180.04222	0.9
181.10207	1.0
183.06477	0.9
183.11705	1.5
189.09233	1.1
189.12790	1.7
195.11815	0.7
197.09663	0.9
197.13293	0.9
198.62737	0.6
207.06485	1.0
207.10211	2.1
207.13867	2.8
225.05670	1.2
225.09192	2.5
225.11310	2.9
225.12936	1.0
225.14896	4.0
225.16861	3.6
233.60886	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.0861
Annotation	1-Hydroxy-N-methylacridone
Peak:m/z	Relative Intensity
50.34913	0.3
53.03932	0.5
54.19540	0.3
55.01877	0.2
55.05490	0.5
57.07073	0.3
67.05493	0.3
70.14458	0.9
74.15238	0.2
79.05489	0.3
83.08582	0.3
86.06035	0.5
91.05477	0.7
95.04979	0.5
95.08593	0.3
97.10150	0.4
100.07585	0.6
103.05437	0.4
104.04971	0.8
115.05452	0.6
128.06198	0.6
129.06999	0.6
130.32356	0.2
143.08482	0.6
152.06184	0.5
153.06984	5.8
154.07735	0.2
155.07350	0.4
155.08560	1.2
156.08069	0.8
167.07132	0.4
168.05803	0.3
170.09641	2.5
180.08086	7.5
180.09702	0.4
180.17432	0.4
181.06485	0.6
181.08331	0.2
183.06802	0.7
183.08154	0.5
184.07617	0.5
187.06148	0.3
198.09131	5.4
200.07152	0.3
208.07584	4.5
211.06096	0.3
226.08617	100.0
226.18030	0.8
226.21521	1.3
227.06964	0.5
227.08955	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	227.0702
Annotation	2-METHOXYXANTHONE
Peak:m/z	Relative Intensity
51.17586	0.2
55.01876	0.8
55.05504	0.7
57.03451	0.2
57.07067	0.3
65.58486	0.2
67.05508	0.5
69.01745	1.8
69.03425	0.3
69.07059	0.5
71.04974	0.3
77.29537	0.2
79.05482	0.5
81.03396	0.3
81.07050	0.8
83.08620	0.2
85.06551	0.5
91.05467	0.4
93.07045	1.1
95.04984	0.3
95.08605	0.9
97.06512	0.7
99.08076	0.2
100.11224	0.2
103.05422	0.2
105.07040	0.3
107.04969	0.3
107.08622	0.9
109.06548	0.4
109.10163	0.4
111.08085	0.2
118.38554	0.2
119.08557	0.3
121.06482	0.7
121.10139	0.6
123.04389	0.2
123.08064	0.3
125.09674	0.2
128.05338	0.2
128.06212	4.2
128.07169	0.2
129.06975	0.4
131.04900	0.2
131.08597	0.2
135.11668	0.2
136.07750	0.2
137.06000	0.2
139.05421	19.5
140.04686	0.3
140.05760	0.7
142.04134	0.2
142.07831	0.3
143.04947	0.2
143.08575	0.7
145.10110	0.4
148.05174	0.5
149.05975	0.5
151.07571	0.2
153.06914	0.3
155.04904	7.6
155.06976	0.4
156.05692	13.1
157.06087	0.5
157.10115	0.8
159.04463	0.2
163.11198	0.3
163.14832	0.2
167.04932	6.1
167.07040	2.0
167.08449	0.2
168.05592	0.6
169.08618	1.3
171.08018	0.6
171.11716	0.8
176.04700	0.2
177.05446	0.6
181.04921	0.5
181.06403	0.2
183.04401	2.3
184.05197	16.3
185.05664	0.7
185.09544	0.2
185.13226	0.6
191.10629	0.3
194.05707	0.4
195.04410	2.5
195.06503	0.7
196.05203	0.2
198.06831	0.2
199.07545	5.3
199.25555	0.2
200.07901	0.2
209.08044	1.4
209.09700	0.2
209.15237	0.3
212.04680	31.6
213.04980	1.3
216.26740	0.2
227.07016	100.0
227.17847	1.6
228.07362	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	227.0913
Annotation	chaetoglocin A
Peak:m/z	Relative Intensity
53.03941	0.7
55.01872	1.4
55.05506	0.8
67.05499	2.2
68.99789	1.6
69.03427	3.2
69.07057	0.4
70.43554	1.0
71.01357	0.3
76.99757	0.3
77.03999	0.3
79.05488	3.0
81.03412	7.7
81.07045	1.2
83.04996	0.6
83.08630	0.4
91.05471	4.2
93.03409	0.3
93.07041	2.8
95.01311	0.3
95.04961	3.1
95.08608	1.1
97.02892	0.3
97.10168	0.5
100.11270	0.9
103.05434	0.9
105.07021	1.6
107.04931	1.9
107.08580	2.3
111.04425	0.7
113.02403	0.4
115.05455	2.9
117.06992	3.3
119.06107	0.3
119.79568	0.3
121.02858	0.4
121.06494	5.6
123.04437	2.3
131.04898	0.7
133.06456	0.5
135.04393	0.7
135.08055	5.2
137.05922	0.4
139.07527	0.7
145.06477	3.0
147.04448	0.4
148.05136	0.5
149.05994	3.2
152.04694	0.3
153.05421	0.5
154.73746	0.3
163.03886	0.6
163.07530	14.8
164.07848	0.6
167.07040	9.5
173.06013	1.6
173.08128	0.3
176.04692	1.9
177.05379	1.0
179.03383	3.6
179.07014	0.5
181.04921	0.5
189.05501	0.5
191.07021	44.9
192.07372	1.5
194.05710	2.1
209.08076	100.0
210.08414	3.0
227.06992	0.6
227.09000	4.0
227.12604	0.7
227.14499	0.5
227.17795	0.7
228.23267	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0912
Annotation	ETHYL SYRINGATE
Peak:m/z	Relative Intensity
53.03946	2.5
54.76936	0.8
55.05505	2.1
57.03425	1.5
65.03936	2.0
66.04723	1.3
67.05495	3.3
69.03439	1.0
69.07056	0.9
70.48969	2.6
71.04977	2.6
75.04489	0.8
77.03945	1.2
78.04710	1.8
79.05490	7.9
81.03419	1.8
81.07059	3.7
83.04961	1.2
85.06544	3.8
91.05486	7.6
93.07024	3.5
94.04185	1.7
95.04971	6.2
95.08629	1.9
97.06507	1.3
99.04498	0.8
100.11234	5.1
103.05460	2.3
105.03394	1.7
105.04510	1.5
105.07032	2.7
107.04970	6.6
107.08585	2.1
108.05010	0.8
108.05729	3.4
109.02906	2.0
109.06503	14.0
111.04460	1.3
111.08035	1.5
119.08598	2.4
121.06498	5.7
121.10114	1.9
123.04426	5.4
123.08101	1.2
123.14742	0.8
124.05180	5.6
125.02379	0.9
125.05996	4.1
125.09661	1.1
127.03909	1.8
131.04927	1.3
131.08568	3.8
133.10089	1.0
135.04407	11.6
136.05205	6.5
137.05969	10.9
138.06674	0.8
139.07526	21.6
139.11223	1.1
140.04665	2.5
141.05501	1.9
145.10138	1.5
148.05164	2.3
149.05986	4.6
149.09642	2.9
151.03897	5.2
151.07541	6.7
151.11079	1.1
152.04669	11.9
152.07967	0.9
153.01819	8.6
153.05464	3.0
153.09123	1.3
155.07028	8.3
161.13295	2.0
163.03896	16.6
163.11177	1.6
164.04684	3.0
165.05490	2.9
166.06252	25.5
167.07028	100.0
168.04211	1.2
168.07289	2.0
169.04951	2.7
173.13240	1.3
177.05464	5.7
178.06241	56.5
179.03383	1.7
179.06812	2.5
181.04967	2.0
181.08604	12.7
183.06548	8.1
184.07370	1.0
191.10690	2.8
194.05746	2.6
194.14105	1.0
195.06526	19.2
195.08292	1.5
196.07304	3.6
201.85107	0.8
209.08086	29.4
209.11444	1.4
210.08513	1.4
212.06819	1.2
224.91148	0.8
227.05453	2.3
227.09076	11.4
227.17563	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0913
Annotation	Ampelopyrone
Peak:m/z	Relative Intensity
50.83721	0.2
53.00322	0.3
53.03945	1.5
55.01870	1.7
55.05508	2.7
57.03427	0.8
57.07074	1.6
61.02929	0.3
65.03927	1.0
67.01866	0.3
67.05160	0.4
67.05504	6.9
69.03419	1.0
69.07061	1.6
71.04994	4.2
73.02906	0.8
78.04708	2.3
79.05493	7.7
81.03411	1.7
81.07056	2.1
83.04983	2.5
83.08602	0.8
85.02915	0.8
85.06544	20.9
89.03904	0.3
91.05482	7.5
93.03401	0.5
93.07045	8.5
95.04964	2.5
95.08611	0.9
97.06512	1.3
97.10189	0.4
99.04453	0.4
99.08088	1.0
100.11255	10.3
103.05465	2.8
105.03377	0.3
105.04522	0.4
105.07022	4.9
106.04176	1.4
107.04953	7.4
107.07915	0.6
107.08592	7.9
107.98286	0.3
109.02861	0.7
109.06515	1.9
109.10109	0.4
110.03658	0.3
111.04434	3.3
111.08104	0.5
113.06087	0.5
116.06226	0.4
117.03387	0.5
117.07018	1.5
119.05000	0.4
119.08582	4.8
120.05802	0.4
121.06503	11.6
121.10135	5.1
122.03622	0.4
123.04429	6.6
123.08072	0.6
124.05223	2.0
125.02376	0.5
125.05975	2.4
127.03985	0.5
129.06981	1.7
130.07803	0.6
131.04938	2.2
131.08566	13.5
133.02852	0.4
133.10141	0.8
134.03633	1.2
135.04428	1.6
135.08055	1.1
135.11725	1.5
137.05966	4.0
137.09596	1.7
139.07536	0.9
140.04697	1.7
143.08578	0.3
145.06485	0.7
145.10129	7.2
147.08055	1.2
147.11710	0.5
148.05212	1.4
149.05980	8.8
149.09613	13.6
149.13196	0.3
150.09966	0.5
151.03947	1.3
152.04681	1.8
153.01839	1.2
153.05469	1.9
155.07018	2.5
155.08388	0.5
159.04407	1.3
163.03912	0.6
163.07532	0.9
163.11198	5.1
165.05498	0.6
165.09096	2.5
166.06271	0.8
167.07034	100.0
167.10669	7.0
168.07346	2.8
173.09587	1.8
177.05481	11.6
178.06221	1.1
181.05006	2.0
181.08629	2.0
183.65619	0.3
191.07043	0.5
191.10663	12.5
194.05692	0.9
195.06555	1.8
197.11771	0.4
209.08109	6.4
209.11711	10.9
209.16455	1.6
227.07149	0.4
227.09105	1.5
227.12691	4.2
227.17656	1.9
227.19502	0.3
228.23192	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.9
55.01874	7.1
55.05510	2.7
57.07068	2.2
65.03930	8.6
67.05497	11.4
68.99782	0.8
69.03420	2.6
69.07058	2.2
70.15447	0.8
71.05002	5.0
71.32554	1.4
73.02911	38.6
79.05488	9.3
81.03417	1.6
81.07014	1.9
82.04194	2.9
83.04966	3.7
85.02914	6.0
85.06537	24.7
91.05464	8.6
93.03419	1.8
93.07044	7.3
95.04960	7.5
97.02898	1.6
97.06541	4.5
100.11259	4.9
103.05489	1.4
105.04544	1.0
105.07037	5.3
107.04958	4.1
107.08579	7.9
108.02118	1.6
109.06507	2.0
110.03647	5.3
111.04420	6.0
117.07040	1.6
119.08564	4.9
121.06485	6.3
121.10165	6.7
123.00886	0.8
123.04425	8.7
123.08077	0.8
125.02353	3.7
125.05959	4.0
125.09732	0.8
129.07021	1.2
131.08553	16.2
135.11745	2.0
137.05977	1.6
137.09651	3.0
138.03128	2.6
140.04672	52.4
142.02644	2.6
145.10126	7.0
147.08058	1.5
147.11630	1.0
149.05992	2.3
149.09596	16.8
153.05444	4.8
155.07019	55.4
163.07547	0.9
163.11162	6.4
165.09108	2.8
166.06345	0.8
167.07059	4.3
167.10677	7.4
171.06500	4.6
173.08093	2.9
173.09595	1.8
179.07059	2.4
181.04939	100.0
182.05362	3.1
191.10638	12.7
195.06482	1.2
209.08086	19.9
209.11690	11.3
226.25151	0.8
227.09053	14.0
227.12813	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	227.0913
Annotation	Ficusol
Peak:m/z	Relative Intensity
50.47244	0.6
51.02374	0.7
53.03939	4.1
53.66902	0.7
55.01870	3.6
55.05506	12.2
57.03437	1.0
61.02920	0.7
65.03919	3.3
67.01842	1.0
67.05493	3.7
68.99781	2.2
69.03436	1.0
69.07047	1.2
69.57566	1.4
69.57976	2.6
71.04988	1.5
73.02887	0.7
77.03944	0.8
78.04705	1.2
79.05488	9.0
81.03408	2.0
81.07053	3.3
83.04938	1.7
83.08614	7.0
85.06528	2.1
85.50527	0.7
89.03903	1.0
91.05470	13.7
93.03402	4.7
93.06498	1.2
93.07040	12.1
94.04230	0.6
95.04049	0.7
95.04965	8.7
95.18731	0.6
97.06516	3.0
99.08109	1.0
100.11248	92.5
101.11577	1.0
103.05466	13.2
105.03369	1.5
105.04501	2.3
105.07037	2.2
106.04167	2.9
107.04957	10.7
107.08587	2.6
109.02867	2.4
109.06506	2.4
110.03654	2.5
110.06042	0.9
111.04451	3.3
111.08076	1.2
116.10772	0.6
117.03329	0.7
117.13871	1.0
118.04157	0.7
119.04974	3.2
119.08572	1.4
120.05694	3.3
121.02851	2.0
121.06503	32.0
121.10086	1.1
122.03633	1.1
123.04426	11.4
123.05281	1.3
123.08076	0.8
124.05218	1.0
125.05979	8.1
127.03969	0.7
127.07573	2.0
131.04980	4.0
131.08554	2.9
133.02858	1.8
134.03619	4.0
135.04416	5.5
137.05971	6.0
138.03067	1.5
139.03867	1.3
139.07533	1.1
140.04707	1.7
143.08543	0.7
145.03008	0.7
145.10081	1.4
147.04396	3.5
148.05176	30.7
149.05972	26.5
149.09569	4.2
151.03886	8.0
151.07462	1.1
152.04675	2.0
153.05460	21.2
155.07014	2.5
159.04402	1.9
159.05560	2.2
162.03099	3.4
163.03897	2.3
163.07542	1.6
163.11174	1.7
163.18813	0.6
165.05490	2.6
166.06241	3.5
167.07027	52.3
167.10660	4.2
168.07521	0.8
169.05011	1.2
170.79471	0.7
176.04692	4.8
177.05453	32.1
178.06041	1.1
179.03371	2.4
181.04944	2.9
181.08618	1.6
181.12125	0.8
183.06497	0.9
191.06982	1.1
191.10666	1.4
193.04965	2.8
194.05736	31.8
195.06511	55.0
196.06880	0.7
199.15268	1.0
209.08076	100.0
209.16473	15.6
210.08450	3.3
210.16806	0.8
227.03535	1.3
227.07059	1.1
227.09099	17.4
227.12523	1.0
227.17537	22.1
227.19827	1.3
229.00026	0.8
232.16684	0.7
242.90422	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0914
Annotation	Ampelopyrone
Peak:m/z	Relative Intensity
53.03938	1.5
55.01855	0.9
55.05479	0.5
57.93133	0.4
61.09649	0.4
66.04697	0.5
69.03424	0.5
70.72266	1.3
73.02899	0.8
77.03969	0.6
78.04723	3.4
79.05501	3.0
81.03407	1.1
81.07034	0.8
89.03904	1.3
91.05485	7.9
93.07046	4.2
94.04175	0.6
95.04971	2.5
103.05470	6.9
105.03407	0.9
105.04502	0.9
106.04169	2.8
107.04970	4.6
108.05314	0.6
109.02849	0.9
109.06535	1.0
117.03373	1.6
119.04979	0.9
121.06504	12.8
122.03651	1.4
123.04428	8.9
124.05210	3.3
125.02371	0.5
131.04939	6.0
133.02823	1.1
134.03624	2.6
135.04385	1.3
137.05981	10.1
140.04668	3.0
145.02820	1.0
147.04405	0.9
148.05157	2.2
149.02226	0.5
149.05975	15.2
150.06285	0.6
151.03926	2.2
152.04651	2.3
153.05513	0.8
155.07007	1.9
159.04407	4.7
163.03918	0.8
165.05487	1.2
166.06290	0.5
167.07037	100.0
168.07373	1.7
176.04727	0.6
177.05470	26.1
178.05870	0.9
180.07819	0.6
181.08571	1.2
191.07059	1.4
194.05734	1.2
209.08067	5.2
227.09213	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	227.0913
Annotation	ETHYL SYRINGATE
Peak:m/z	Relative Intensity
53.03941	4.0
55.01870	9.1
55.05511	9.1
57.03429	3.0
57.07077	1.5
59.04287	0.8
60.14955	0.9
61.02915	2.8
65.03937	4.0
67.05498	7.6
67.35532	1.0
68.99794	3.3
69.03430	3.3
69.07067	3.6
71.04996	4.3
71.32809	0.9
72.04508	3.3
73.02919	2.6
77.03908	1.2
78.04729	2.5
79.05495	14.2
81.03415	3.5
81.07040	7.4
83.04987	4.8
83.08608	4.1
84.04501	7.1
85.02901	2.0
85.06537	14.7
87.30556	0.7
89.03867	0.9
91.05471	17.5
93.03392	5.2
93.07039	17.3
93.07590	1.3
94.94750	0.9
95.04964	10.7
95.08620	3.5
97.06554	4.7
99.04449	1.3
99.08101	1.0
100.11252	33.6
100.11914	1.7
103.05457	12.0
105.03389	1.3
105.04472	1.3
105.07010	5.7
106.04173	3.9
107.04954	12.8
107.08601	9.4
109.02903	2.2
109.06508	3.0
109.10163	2.8
110.03649	1.9
111.04426	6.0
111.08092	1.8
113.06002	1.3
117.07021	2.0
119.04933	2.4
119.08620	2.3
120.05683	4.1
121.02866	1.9
121.06500	31.9
121.10152	6.1
123.04418	17.0
123.08060	1.9
124.05207	1.0
125.05995	7.5
125.09637	2.9
127.03879	1.5
128.10715	2.1
131.04915	4.2
131.08563	9.3
133.02855	1.5
133.10155	2.0
134.03651	3.8
135.04430	5.7
135.08025	1.5
135.11723	2.5
137.04227	2.6
137.05977	4.3
139.03883	4.1
139.07497	2.5
140.04672	5.3
140.10701	0.8
142.02644	1.0
142.12267	2.0
143.08548	1.0
145.10149	4.9
147.04431	2.7
148.05183	29.7
149.05983	28.8
149.09610	9.0
151.03914	7.6
151.07526	1.8
151.11176	1.2
152.04689	1.6
153.01830	4.2
153.05470	11.2
153.09000	0.9
154.06111	1.5
154.12242	9.1
155.06978	4.1
156.05760	1.0
156.10211	2.9
156.13838	2.0
159.04385	1.6
159.05580	1.4
162.03171	3.0
163.03900	3.4
163.07574	1.4
163.11258	4.5
165.05513	3.2
165.06903	0.9
165.09143	1.6
166.02502	0.9
166.06271	4.4
166.07652	1.4
167.07036	61.9
167.10713	3.7
168.07353	2.0
168.10172	1.2
169.08586	1.3
171.06541	1.2
171.14917	13.7
176.04694	3.8
177.05458	26.8
178.06137	1.5
179.03395	1.0
181.03491	1.1
181.04984	5.0
181.06378	1.4
181.08694	1.8
181.12206	1.6
182.11815	1.8
183.06522	1.4
184.05229	1.9
191.10654	8.9
191.14246	0.9
193.04842	1.6
194.05743	29.9
195.06520	55.1
197.05983	1.5
209.08078	100.0
209.11668	6.0
209.16582	1.9
210.08427	3.6
211.07883	1.0
212.04689	1.8
212.06541	0.9
227.03639	1.2
227.07030	9.2
227.09149	14.3
227.10741	3.0
227.12776	3.2
227.17743	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	227.0912
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03946	3.2
55.01875	3.9
55.05502	5.8
57.03426	1.9
57.07071	3.4
65.03918	1.9
67.05502	13.2
69.03410	1.5
69.07066	4.3
69.31563	6.0
69.31966	2.2
71.04991	6.9
73.02918	4.5
77.03925	2.1
78.04723	2.0
79.05486	15.5
80.80910	0.9
81.03423	2.3
81.07050	5.9
83.04975	4.0
83.08619	1.1
85.02905	1.0
85.06535	30.0
91.05473	13.9
93.03413	1.4
93.07037	15.6
94.04175	1.3
95.04962	8.1
95.08590	2.7
97.06516	3.0
97.10157	1.4
98.22506	1.4
99.04428	1.6
99.08096	1.1
100.11251	11.3
103.05454	6.1
105.03400	1.1
105.04501	1.5
105.07011	9.0
106.04185	2.3
107.04933	9.3
107.08587	11.0
108.05769	1.8
109.02875	2.1
109.06521	9.2
109.10160	1.1
111.04427	6.9
111.08068	1.4
115.05464	1.3
117.07022	2.5
119.08591	6.5
121.02859	1.1
121.06497	21.8
121.07314	1.7
121.10125	10.0
123.04415	10.5
123.08127	1.6
123.11694	2.0
124.05193	4.9
125.02351	1.6
125.05986	5.7
129.07018	1.6
131.04869	3.3
131.08559	22.1
133.81248	1.0
134.03610	1.7
135.04407	7.7
135.11722	2.2
136.05203	3.5
137.05975	10.6
137.09651	1.9
139.03957	1.0
139.07530	9.8
140.04663	8.7
141.05447	1.7
145.06508	1.5
145.10103	10.7
147.04478	1.0
147.08052	2.3
148.05157	6.2
149.02368	1.0
149.05974	13.4
149.09610	20.4
151.03888	5.8
151.07567	2.7
151.11168	1.3
152.04688	7.5
153.01828	10.2
153.05457	4.6
153.06664	0.9
153.09087	1.1
155.07014	11.4
156.15251	1.0
159.04417	2.2
161.09665	1.1
163.03877	11.1
163.07516	2.0
163.11200	8.8
164.04686	1.5
165.05475	1.9
165.09105	3.6
166.06241	13.0
166.07558	1.3
167.07028	100.0
167.10663	14.7
168.07378	2.8
169.05028	1.4
169.08614	3.0
171.11736	1.2
173.09596	2.3
177.05466	21.5
178.06238	29.3
179.03389	1.2
179.06812	1.4
181.04961	9.8
181.08586	6.6
183.06540	4.2
191.10657	16.4
194.05682	6.5
195.06491	14.6
196.07277	2.2
209.08070	27.6
209.11641	14.7
210.08441	1.2
227.05489	3.5
227.09077	11.0
227.12654	6.3
227.17590	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0913
Annotation	Ficusol
Peak:m/z	Relative Intensity
51.26558	0.4
53.03933	1.7
55.01872	0.8
56.96554	0.8
65.03938	0.7
69.03391	0.4
69.60370	1.5
69.60776	1.0
77.03918	0.8
78.04701	3.0
79.05473	1.9
81.03362	0.5
81.07021	0.5
89.03915	1.2
91.05479	8.0
93.07045	3.7
94.04192	0.5
95.04955	2.3
96.05738	0.5
98.97601	0.7
103.05460	7.3
105.03388	1.0
106.04166	3.2
107.04960	4.8
109.02861	0.5
109.06532	0.8
109.19336	0.4
117.03387	1.3
119.04944	1.3
120.05711	0.5
121.06499	12.9
122.03642	1.8
123.04429	8.4
124.05183	3.1
125.05988	0.6
131.04929	6.4
133.02818	1.4
134.03635	2.8
135.04431	1.3
137.05972	8.9
140.04683	3.5
145.02800	1.1
147.04393	1.3
148.05154	2.3
149.05978	13.3
151.03934	2.1
152.04709	2.1
155.07042	1.6
156.03343	4.9
159.04419	3.9
162.03230	0.6
163.03906	0.9
163.07584	0.7
165.05452	1.0
167.07034	100.0
168.03285	0.7
168.07346	2.6
174.04358	2.7
176.04723	0.7
177.05470	23.9
178.05988	0.7
181.08583	0.9
186.04382	4.6
191.07045	1.6
194.05762	1.2
204.05429	2.2
209.08095	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	227.0912
Annotation	Ficusol
Peak:m/z	Relative Intensity
50.51906	0.7
51.15171	0.7
52.06896	0.6
53.03939	2.4
55.01872	6.1
55.05511	1.6
57.03418	0.7
57.41122	0.6
61.84945	0.6
65.03944	7.7
67.05499	4.1
69.03419	2.4
69.07071	1.0
69.33677	3.6
69.34077	1.3
71.04984	1.5
73.02915	39.8
78.04696	1.3
79.05490	2.0
81.03400	1.2
81.07048	1.4
82.00562	0.7
82.04200	3.6
83.08624	1.2
85.02901	5.0
85.06542	2.9
91.05480	4.2
92.12868	0.6
93.03374	3.1
93.07030	3.4
95.04961	7.8
97.02898	1.4
97.06524	3.2
99.81001	0.6
100.11250	10.5
103.05449	1.8
107.04948	2.2
107.08582	1.4
108.02081	1.8
109.06487	1.1
110.03665	4.3
111.04408	2.0
119.04993	0.9
119.08562	0.8
121.06506	4.4
121.10173	0.9
122.03617	0.7
123.00832	0.8
123.04420	11.1
124.05238	0.9
125.02328	2.9
125.05946	3.0
131.04967	0.9
131.08585	1.6
135.04375	1.1
136.05241	1.0
137.05969	1.6
138.03084	2.4
139.03909	1.0
139.07552	1.0
140.04675	54.6
141.05020	1.5
142.02621	3.3
144.75279	0.7
148.05176	0.7
149.05933	4.2
149.09619	1.9
151.97478	0.7
152.04637	0.7
153.05444	3.7
155.07022	57.2
156.07304	1.1
163.03906	0.8
166.06233	1.2
167.07037	25.9
167.08479	1.3
167.10687	2.3
168.07332	0.9
169.01312	1.0
171.06511	4.9
173.08102	4.4
177.05399	3.6
178.06242	1.0
179.06984	3.5
181.04945	100.0
182.05281	2.6
191.10631	1.7
195.06464	1.0
197.00818	0.9
209.08081	23.7
209.11476	1.6
209.16418	2.1
215.02066	1.2
227.05565	1.3
227.09122	12.6
227.12637	2.2
227.17538	2.3
228.09454	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0912
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03949	3.7
53.98148	1.0
55.01869	13.0
55.05504	5.4
55.80027	1.1
56.96565	1.1
57.03429	3.1
57.07086	2.6
59.04989	2.7
61.02934	6.2
65.03938	3.5
67.05495	9.9
68.99809	2.2
69.03427	3.4
69.07072	12.8
69.40682	8.1
71.04993	18.7
78.04691	5.7
79.05499	11.0
81.03425	3.2
81.07059	12.3
83.04980	3.3
83.08611	2.3
85.06540	9.7
88.69422	1.1
91.05476	17.6
93.03415	4.1
93.07041	26.2
95.04958	34.8
95.08604	15.6
97.02886	1.2
97.06532	14.0
97.10149	2.3
98.22601	1.5
99.04454	22.0
99.05074	1.8
99.08092	6.9
100.11251	1.8
103.05472	10.3
104.23869	1.2
105.03442	1.3
105.04471	1.2
105.07021	9.3
106.04156	6.2
107.04968	12.3
107.08585	17.5
109.02892	1.7
109.06531	8.7
109.10143	6.6
110.03663	1.4
111.04450	1.5
111.08080	4.7
113.06010	1.4
113.09595	1.2
115.07547	2.8
117.07018	1.4
119.04919	2.0
119.08597	4.8
120.05727	4.5
121.02885	2.5
121.06497	39.6
121.10124	11.3
123.04417	16.2
123.08064	6.3
123.11691	6.2
124.05203	3.8
125.06028	6.2
125.09619	4.5
127.07549	2.7
131.04958	3.4
131.08578	2.7
133.02834	1.7
133.10118	11.1
134.03641	3.6
135.04424	7.0
135.08090	1.7
135.11690	5.1
137.05928	2.9
139.07538	3.5
139.11147	6.6
141.42796	1.3
145.10130	3.7
147.04370	3.2
147.11687	4.2
148.05186	35.3
149.05977	31.2
149.07184	2.0
149.09602	3.0
149.13316	4.9
150.06299	1.2
151.03889	9.7
151.07515	5.4
151.11223	3.2
152.04619	1.4
153.05452	10.9
153.09120	6.4
155.07045	1.3
159.05533	1.6
162.03125	4.1
163.03893	3.0
163.11162	6.1
163.14819	1.5
165.05411	2.1
165.12862	1.2
166.06241	3.9
167.07034	76.0
167.10735	2.2
168.07423	1.8
169.08586	24.0
171.10118	6.5
173.13261	5.5
176.04689	4.4
177.05446	25.2
179.03342	2.3
181.05016	3.4
181.08582	2.2
181.12183	1.8
183.13812	3.7
191.07060	1.4
191.14302	4.7
193.04996	3.3
194.05733	36.3
195.06509	62.3
196.07014	1.8
209.08075	100.0
209.15358	8.0
210.08423	2.7
227.09065	16.1
227.16356	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	227.0914
Annotation	Ficusol
Peak:m/z	Relative Intensity
51.04839	0.4
53.03937	1.4
55.01862	0.9
56.48105	0.4
56.96561	0.8
59.07358	0.3
62.79986	0.3
63.04369	0.3
65.03912	0.6
67.05480	0.4
69.03429	0.5
70.00838	0.8
70.01225	0.7
73.02905	0.6
77.03954	0.5
78.04703	3.3
79.05500	2.0
81.03383	0.5
81.07056	0.5
89.03917	1.5
91.05489	6.1
93.07038	3.6
95.04977	2.5
97.06551	0.4
98.97583	1.4
101.00856	0.6
103.05466	7.1
105.03379	0.8
105.04533	0.5
106.04176	2.8
107.04953	4.2
109.06516	0.6
115.02370	0.4
116.98631	0.5
117.03361	1.0
119.01919	1.0
119.04944	1.4
120.05756	0.4
121.06503	12.2
122.03643	1.3
123.04430	8.9
124.05241	2.2
131.01881	0.5
131.04927	6.5
133.02879	0.9
134.03625	2.3
134.99686	0.4
135.04446	1.7
137.05977	8.8
140.04674	2.6
145.02719	0.8
145.03600	0.4
147.04385	1.1
148.05190	1.8
149.05977	14.3
149.07195	0.7
151.03903	1.5
152.04645	1.9
153.05461	0.6
155.01826	0.5
155.07027	1.3
156.03328	2.9
157.49161	0.4
159.04417	4.3
161.03059	0.4
162.03120	0.6
163.03911	0.9
163.07588	0.6
165.05469	0.8
166.06195	0.5
167.07037	100.0
168.03275	0.5
168.07460	2.4
173.02988	0.5
174.04433	2.2
176.04715	1.1
177.05472	24.8
178.06010	1.3
179.00720	0.6
179.55716	0.4
181.08620	1.2
185.02913	0.5
186.04376	3.7
191.07036	1.2
194.05745	1.1
197.08083	0.4
204.05463	1.6
209.08095	5.8
221.01839	0.6
221.05165	0.5
227.09096	1.0
228.05463	0.7
229.69426	0.4
244.04300	0.5
246.06439	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1277
Annotation	12-hydroxyjasmonic acid
Peak:m/z	Relative Intensity
52.48667	0.7
55.01870	35.1
55.02139	1.7
55.05495	3.2
57.03434	1.6
57.07071	2.7
62.25988	0.8
65.79845	0.7
65.85471	0.7
66.69520	0.9
67.05505	11.7
69.03427	4.3
69.07066	17.3
69.31229	5.6
71.04992	4.4
79.05496	8.8
81.07053	9.6
83.04979	1.1
83.08594	1.0
85.06543	12.6
85.07047	1.2
91.05485	5.6
93.07045	14.9
95.04977	5.7
95.08608	23.9
97.06528	16.3
99.04440	6.0
100.11239	1.4
101.06013	0.8
105.07028	12.0
107.04926	2.7
107.08589	35.5
109.06507	10.4
111.08060	1.6
113.05987	4.9
117.07038	1.1
119.08576	3.4
121.06510	7.2
121.10140	11.6
123.07227	1.4
123.08062	13.6
125.05975	1.4
125.09591	0.8
127.07642	0.8
133.06468	2.0
135.08040	1.3
135.11685	4.9
139.11180	2.1
145.10115	7.7
147.11726	1.3
149.09607	3.3
149.61896	0.8
151.07521	13.4
153.05467	1.4
153.12778	1.0
157.08621	1.5
163.11172	19.0
165.06979	0.8
166.07838	0.8
167.07024	3.4
167.08481	1.0
167.10683	7.0
169.08597	100.0
170.08868	2.3
173.09645	1.7
177.05490	1.5
181.12233	9.4
191.10707	6.4
195.08176	0.8
209.08139	0.8
209.11734	4.6
210.14832	0.8
227.10628	2.1
227.12640	7.4
238.28285	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1276
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03939	2.3
55.01861	3.6
55.05508	3.9
57.03447	1.5
57.07073	7.0
65.03923	2.6
67.05499	29.1
69.03428	2.2
69.07072	5.6
70.86615	1.9
71.04983	17.5
76.59425	0.8
77.03896	1.0
78.04705	2.3
79.05486	32.3
81.03404	2.3
81.07053	6.5
83.04977	8.8
83.35154	0.7
85.06534	100.0
86.06863	1.3
91.05468	21.1
93.07034	26.6
95.04974	7.1
95.08589	2.8
97.06528	4.7
98.56056	0.8
99.04437	0.9
99.08099	4.7
100.11236	3.0
103.05466	4.8
105.07018	18.0
107.04947	16.2
107.08581	29.5
109.02883	1.5
109.06517	4.3
109.10172	1.2
111.04436	12.7
116.06236	1.4
117.06990	6.1
119.04906	1.4
119.08571	18.3
119.40456	0.8
121.06493	22.9
121.10135	21.7
123.04389	5.6
123.08024	1.9
124.05197	1.4
125.05946	7.7
129.07014	5.4
130.07767	3.0
131.04903	4.0
131.08553	69.0
132.08852	2.2
133.06474	1.1
135.04384	1.3
135.08061	2.1
135.11681	7.1
137.05991	5.9
137.09615	7.5
139.03780	1.1
139.07506	1.7
140.04648	1.7
141.05457	2.1
143.06987	1.0
143.08534	1.1
145.06462	2.6
145.10109	27.5
147.08014	6.9
148.07407	0.8
149.05972	10.2
149.09599	66.2
150.09941	1.1
152.04665	1.3
153.05449	3.8
155.07013	4.0
155.08495	2.0
159.04407	1.2
163.03903	0.8
163.07538	2.6
163.11171	24.1
165.09082	10.0
167.07022	51.1
167.10660	31.0
168.07338	0.9
168.11021	0.9
173.09578	6.9
176.04677	1.4
177.05450	14.7
179.03322	1.1
179.10733	1.3
181.04944	1.0
191.10648	53.5
192.10977	1.1
194.05760	2.5
197.11766	1.5
209.08119	5.2
209.11707	48.8
209.64929	0.8
210.11971	1.1
227.09245	1.8
227.12758	17.2
227.17563	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1277
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
51.30907	0.9
53.01865	0.9
53.03940	2.6
55.01868	6.2
55.05510	7.0
55.48209	1.1
57.03430	4.7
57.07075	6.1
65.03913	2.5
67.05503	29.3
69.03430	6.9
69.07070	9.6
69.31956	5.5
69.32368	1.6
70.22717	1.0
71.04630	1.5
71.04993	19.2
72.84635	1.0
73.02914	2.3
79.05498	32.3
81.03402	4.6
81.07053	10.9
83.04984	10.5
83.08592	1.7
85.02904	2.1
85.06541	100.0
86.06868	1.4
87.04451	1.9
91.05479	21.6
93.03414	1.2
93.07046	32.2
94.88416	1.0
95.04971	10.6
95.08613	6.2
97.06529	59.8
98.00110	1.0
99.04446	5.4
99.08109	4.8
100.11248	6.5
103.05438	3.9
105.07024	22.0
107.04951	16.6
107.08594	38.3
108.08947	1.3
109.02873	3.0
109.06516	10.9
109.10143	3.5
111.04433	12.4
111.08080	2.5
113.06026	1.4
117.07009	7.1
119.08577	18.1
121.06506	20.0
121.10139	26.8
123.04420	3.7
123.08044	4.9
123.11671	3.0
125.05978	9.6
125.09615	3.1
127.03905	3.0
127.07519	1.4
128.06276	1.1
129.07014	7.3
130.07776	1.8
131.04932	1.5
131.08566	70.1
132.08913	1.6
133.10115	7.5
135.04419	2.8
135.08049	3.6
135.11699	7.6
137.05975	2.5
137.09654	6.9
139.07506	3.0
139.11159	1.5
140.04684	2.1
143.06990	1.5
145.06549	1.5
145.10124	26.5
147.08098	5.8
147.11679	2.0
148.05185	1.9
149.05994	7.5
149.09616	67.5
149.13272	2.5
150.09926	1.6
151.07466	1.4
151.11160	2.5
153.01855	6.6
153.05469	4.3
155.07065	6.6
159.04346	1.4
163.07504	2.7
163.09772	1.6
163.11176	28.3
165.07010	1.3
165.09119	12.5
167.07080	18.9
167.08440	1.9
167.10680	35.4
168.11011	1.6
168.13861	1.6
169.08575	4.2
169.12224	2.5
173.09625	8.6
173.13237	3.1
177.05453	4.6
179.10663	1.9
181.04994	6.0
181.06392	1.3
181.12282	1.5
184.05098	1.3
187.09825	1.3
191.10666	63.4
191.14241	2.5
192.11118	1.9
194.05769	2.5
195.06526	4.6
195.08112	2.0
197.11719	1.7
209.08180	10.2
209.11719	54.8
209.15079	1.9
210.12167	1.4
227.05307	1.3
227.07079	2.2
227.09056	4.4
227.10825	2.2
227.12712	18.4
227.17703	1.3
229.65639	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1275
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
55.01862	4.3
55.05508	4.3
57.03434	2.0
57.07071	5.7
63.88425	1.3
63.95851	1.2
65.03931	2.9
67.05501	27.5
69.07056	5.6
70.86570	1.6
71.04988	16.5
71.94886	1.2
73.02901	6.0
74.79227	1.2
79.05483	27.4
80.07579	1.1
81.03387	1.7
81.07055	7.4
82.01717	1.4
83.04980	5.1
83.92697	1.3
85.06536	100.0
89.65575	1.2
91.05470	17.7
93.07037	21.8
93.07579	1.7
95.04955	6.1
95.08582	1.2
97.06547	4.6
99.08116	3.8
103.05414	1.4
105.07030	16.1
106.03434	1.6
106.07391	1.4
107.04938	10.9
107.08588	28.0
109.06493	4.2
111.04433	14.8
117.07003	6.8
119.08572	18.6
121.06490	14.7
121.10130	20.8
123.04416	3.7
123.08032	1.8
125.05960	9.9
129.06976	6.0
131.08562	71.5
133.10117	1.4
135.08031	3.1
135.11711	5.9
137.05997	1.5
137.09581	6.6
138.88045	1.3
140.04678	8.0
143.06999	1.6
145.10118	32.0
145.11201	2.6
147.08020	7.2
149.05998	2.4
149.09605	70.2
150.09943	3.4
153.05449	5.1
155.07010	12.2
155.08226	2.0
163.07526	2.9
163.11160	27.8
165.09091	11.1
167.07074	3.4
167.10669	33.4
173.09619	6.6
181.04953	14.6
181.12187	1.3
191.10652	55.4
192.11029	2.1
197.11720	1.3
209.08258	2.9
209.11716	43.0
227.08951	2.6
227.12709	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	227.1277
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03950	1.2
55.01868	44.6
55.05515	6.5
56.69054	1.1
57.03436	2.2
57.07086	3.5
67.05503	16.7
69.03445	5.9
69.07066	25.9
70.64962	2.9
70.65337	2.4
71.04982	6.2
73.02915	1.5
79.05492	16.4
81.03441	1.2
81.07050	14.3
82.34118	1.3
83.04990	2.9
83.08624	2.6
85.06543	17.9
91.05475	10.1
93.07046	22.3
95.04975	6.1
95.08605	32.5
97.06522	18.6
99.04447	7.9
99.08112	1.8
100.11288	1.4
105.07029	17.4
107.04961	3.8
107.08590	40.3
109.06518	11.1
109.10152	1.7
111.08084	5.4
113.06028	6.1
117.06941	1.3
119.08603	6.1
121.06497	8.9
121.10143	16.9
123.04447	1.7
123.08049	15.8
123.11693	1.8
125.06026	3.6
131.08540	3.4
133.06532	1.9
133.10135	1.5
135.08047	1.4
135.11696	10.1
139.11220	3.3
140.04681	2.3
143.08560	4.6
145.10107	11.1
147.11668	1.9
148.05154	2.1
149.05948	3.6
149.09604	4.9
151.07516	14.6
153.05460	1.4
155.07014	2.9
157.10130	3.0
163.11166	19.2
163.14799	1.6
167.07057	11.4
167.10622	7.3
169.08597	100.0
170.08957	1.6
171.11729	4.5
177.05470	3.6
181.06458	1.5
181.12233	5.7
185.13313	2.7
191.10657	7.4
209.08092	5.8
209.11789	5.0
209.15347	2.5
227.07072	8.1
227.10768	2.1
227.12846	5.3
227.17969	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	227.1277
Annotation	12-hydroxyjasmonic acid
Peak:m/z	Relative Intensity
50.87345	0.7
51.07426	0.7
53.03945	1.0
55.01870	32.5
55.05512	6.2
57.03437	1.8
57.07071	3.9
65.03928	1.1
66.70816	0.7
67.05501	12.2
69.03423	3.4
69.07067	20.0
69.07446	1.2
69.81165	3.2
70.35064	0.7
71.05000	4.0
73.02923	1.7
78.04743	1.0
79.05486	10.6
81.03435	0.9
81.07057	11.7
83.04960	2.3
83.08620	2.4
83.32245	0.8
85.06537	15.1
91.05476	6.0
93.07039	13.7
95.04950	4.2
95.08606	27.5
97.06525	20.1
97.10152	2.7
99.04436	4.3
100.11246	1.6
101.53757	0.8
103.05445	0.9
105.07023	11.3
105.36087	0.7
107.04953	1.9
107.08591	28.5
109.06515	9.9
109.10131	1.9
111.08082	2.5
113.06005	3.0
117.07014	1.3
119.08598	3.4
121.06504	7.0
121.10139	10.4
123.04433	2.6
123.08060	11.5
123.33140	1.0
125.06001	1.6
125.09621	3.0
128.06232	1.5
129.07014	1.4
131.08568	2.3
133.06500	2.4
135.08133	1.1
135.11716	4.3
137.05995	1.2
139.07526	1.1
139.11179	2.4
140.04666	2.2
142.07732	1.1
143.08539	1.5
145.10089	6.1
147.11682	2.1
148.05182	2.1
149.06003	3.7
149.09644	3.2
151.07521	12.7
153.05492	1.1
155.94321	0.9
156.09319	1.0
157.08720	0.7
157.10155	3.4
163.11169	17.4
163.12453	1.4
167.07050	10.9
167.08421	1.2
167.10657	6.0
168.09341	1.1
169.08598	100.0
170.08961	1.8
171.07993	0.9
171.11681	3.8
173.09639	1.5
177.05467	2.9
181.04958	3.5
181.10529	1.0
181.12187	7.6
183.11739	1.2
184.05249	1.3
184.12523	0.8
185.09630	1.6
185.11751	1.8
185.13278	1.7
189.11252	1.3
191.10652	4.8
194.05730	1.9
195.06500	2.4
199.14781	1.0
209.08067	3.8
209.11729	3.4
212.08382	1.9
227.07050	2.4
227.10631	5.7
227.12788	8.2
227.14413	2.5
227.17891	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	227.1276
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
51.02364	0.5
53.03933	1.6
55.01860	3.7
55.05508	5.3
57.03424	1.7
57.07071	3.3
61.52258	0.5
65.03926	2.1
66.04719	0.5
67.05498	19.4
68.57047	0.5
69.03416	2.3
69.07059	4.2
69.84251	2.2
70.58506	0.5
71.04618	0.8
71.04987	12.1
71.05376	0.7
73.02888	1.9
77.03901	0.5
78.04702	2.8
79.05022	1.1
79.05484	19.5
80.34742	0.4
81.03412	3.7
81.07048	5.8
83.04572	0.6
83.04978	6.5
83.08601	1.7
83.45620	0.4
85.02877	0.8
85.06536	60.0
86.06865	1.0
89.03909	1.0
91.05469	17.3
91.06039	0.9
93.03397	1.0
93.07037	19.9
94.07354	0.8
95.04958	8.8
95.08588	2.1
97.02857	0.9
97.06518	3.6
98.22626	0.7
99.04431	1.0
99.08083	2.5
100.11251	14.3
103.05450	5.9
105.07015	11.8
106.04161	2.8
107.04946	11.6
107.08581	18.4
109.02865	2.1
109.06506	5.4
109.10163	0.8
111.04433	9.5
115.05396	0.5
116.06203	0.5
117.03365	0.6
117.06990	4.2
119.04905	1.0
119.08569	10.2
120.05705	0.9
121.02876	0.5
121.06496	22.4
121.10123	13.9
121.10961	1.0
122.03593	0.7
122.10436	0.6
123.04430	8.8
123.08040	1.7
124.05215	2.4
125.02338	0.7
125.05975	6.4
125.09636	0.7
127.03930	1.2
129.07013	2.7
130.07776	1.1
131.04895	4.0
131.08551	41.4
132.08890	0.7
133.02890	0.8
133.06409	0.6
133.10153	1.3
134.03625	2.0
135.04419	2.7
135.08044	1.9
135.11693	3.2
136.05240	0.7
137.05962	9.0
137.09612	4.2
139.07555	3.0
139.11122	0.6
140.04654	4.9
141.05455	0.6
143.06998	0.6
145.06473	1.3
145.10110	16.3
146.10490	0.5
147.04424	0.9
147.08025	3.9
147.11691	0.8
148.05157	1.7
149.04808	1.0
149.05968	13.5
149.09602	40.8
151.03888	2.2
151.07541	1.2
152.04671	2.6
153.01784	2.1
153.05499	4.2
153.09119	0.8
155.07007	5.0
155.08209	0.7
159.04402	2.2
163.03886	2.5
163.07510	1.9
163.11171	15.4
165.05437	0.9
165.09105	7.8
166.06247	2.5
167.07022	100.0
167.10651	21.4
168.07323	2.2
171.10246	0.6
173.09576	4.6
176.04672	0.6
177.05458	18.5
178.06219	4.5
179.10658	1.1
181.04944	4.4
181.08615	2.5
183.06494	0.9
191.10649	36.1
192.11005	0.6
194.05701	2.0
195.06477	3.1
197.11842	0.8
209.08102	12.3
209.11707	29.5
209.16486	2.4
210.12163	0.9
225.38210	0.5
227.07141	0.8
227.09175	3.4
227.12704	12.0
227.17563	3.0
228.23155	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.6
55.01880	4.6
55.05508	8.8
57.03407	1.9
57.07073	3.4
59.05000	2.6
63.49286	1.8
67.05513	8.1
69.03429	5.5
69.07066	17.0
70.72189	3.0
71.04996	5.2
73.02917	3.0
78.04716	2.9
79.05489	12.6
81.03414	3.2
81.07056	38.7
83.04970	2.6
83.08629	2.6
85.02879	2.3
85.06540	3.7
87.04458	14.6
89.53775	1.9
91.05477	17.1
93.07049	47.7
95.04967	5.1
95.08604	13.4
97.06539	3.9
99.04406	2.7
99.08130	2.8
100.11226	9.6
103.05479	8.4
105.07021	20.5
106.04178	2.2
107.04980	6.5
107.08597	17.0
109.06516	4.7
109.10175	7.2
111.04509	2.9
111.11723	4.9
119.08603	10.3
121.06492	12.2
121.10145	85.5
123.04452	7.9
123.08099	5.7
123.11704	60.9
125.09630	3.7
131.04979	5.0
131.08595	6.1
133.10150	6.5
134.03651	2.6
137.05974	14.8
137.09656	4.7
139.11201	4.4
140.04707	6.5
145.10109	3.1
147.11717	9.4
149.05980	12.0
149.09610	35.1
149.13242	4.5
151.03854	1.9
151.11172	34.5
153.09067	2.9
155.07042	5.5
159.04422	4.1
163.07556	3.1
163.11275	1.8
165.12804	6.4
167.07047	77.2
167.08459	3.8
167.10675	100.0
168.07344	2.9
173.09610	2.6
173.13344	1.8
174.06778	1.6
177.05478	15.6
181.04990	5.8
181.08591	3.5
191.10678	6.1
191.14262	4.7
200.58720	2.2
202.92313	2.3
209.08107	9.4
209.11647	2.4
227.07022	2.0
227.16469	5.7
230.99512	2.2
235.53131	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1641
Annotation	Annuionone G
Peak:m/z	Relative Intensity
51.55851	2.0
53.03947	5.4
55.01869	15.8
55.05509	20.6
57.03433	7.0
57.07071	7.9
59.04999	4.9
60.48696	1.9
63.82321	2.0
65.03925	3.3
67.05503	28.8
67.29165	1.8
69.03426	37.9
69.07070	29.2
69.88047	10.9
71.04994	61.6
73.02924	5.0
78.04679	2.7
79.05494	30.3
81.03426	7.9
81.07057	53.3
83.04977	12.0
83.08627	9.9
85.06541	22.8
87.04485	11.4
91.05483	27.2
93.07047	42.1
93.07605	3.3
94.07393	2.9
95.04975	29.8
95.08601	51.3
97.06533	23.2
97.10167	8.0
99.04460	44.4
99.08109	12.9
100.11272	10.4
103.05470	7.1
105.04567	2.3
105.07032	22.3
106.04151	2.4
106.25336	2.6
107.04961	11.8
107.08595	62.4
109.02891	8.2
109.06512	19.5
109.10152	24.6
110.10514	2.4
111.04465	3.0
111.08069	10.5
113.06041	2.6
115.07598	5.4
117.07032	4.2
119.08551	13.1
121.06519	18.9
121.10148	41.5
123.04440	11.1
123.08080	18.6
123.11707	52.6
124.05174	2.4
125.05991	6.6
125.09631	30.4
127.03863	3.4
127.07568	6.6
128.06189	2.4
129.07036	2.1
129.56009	2.0
129.89026	2.0
131.04956	5.2
131.08578	13.4
133.10107	15.4
134.03654	2.9
135.04436	3.1
135.08023	12.3
135.11705	10.3
137.05980	8.7
137.09607	5.2
139.07585	2.7
139.11214	9.1
140.04697	7.5
141.12741	30.5
143.08586	2.8
143.10762	4.7
145.10118	7.8
147.11685	10.2
148.05243	2.9
149.05995	14.6
149.09615	17.3
149.13269	13.5
151.03970	2.4
151.07564	6.9
151.11156	14.4
152.04678	4.4
153.01903	13.4
153.02919	2.3
153.09158	9.8
155.07054	5.9
158.10876	3.7
163.03885	2.9
163.11142	12.3
163.14876	9.6
165.12756	4.9
167.07040	100.0
167.08484	4.9
167.10666	12.3
168.07416	2.6
169.08595	29.8
169.09967	2.7
169.12260	3.6
171.10187	2.6
173.09630	4.6
173.13248	15.6
177.05470	24.3
178.06221	2.8
181.04922	9.9
181.12271	3.1
183.13806	6.0
184.05287	3.6
191.10672	11.5
191.14316	16.8
195.06505	6.8
209.08032	16.5
209.11833	5.0
209.15302	16.8
227.05424	3.1
227.09045	4.1
227.12762	5.3
227.16141	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	227.164
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62070	1.0
53.03928	2.0
55.01866	3.8
55.05512	13.5
57.03431	4.5
57.07074	1.3
59.04992	4.4
65.03935	2.7
67.05495	9.3
68.99792	1.1
69.03420	5.5
69.07066	10.3
70.67440	2.4
70.67786	1.2
71.04991	23.6
73.02916	5.8
73.06557	2.0
74.99549	1.0
78.04713	1.4
78.46132	1.1
79.05486	11.9
81.03422	4.5
81.07055	13.3
83.04968	4.7
83.08614	8.2
84.08208	1.1
85.02912	1.6
85.06534	10.6
86.09737	1.2
91.05484	10.5
93.07042	24.5
95.04964	100.0
95.08598	14.5
96.05311	1.7
96.69191	1.3
97.06524	29.1
99.04458	18.6
99.08089	21.8
100.11253	61.4
101.11562	1.7
103.05451	3.1
105.04585	1.1
105.07029	11.2
106.04211	1.1
107.04951	3.8
107.08588	24.7
109.02885	2.5
109.06521	18.9
109.10172	6.7
110.06044	1.2
111.04456	2.0
111.08081	5.8
113.09643	1.5
114.05565	1.0
115.05387	1.1
115.06731	1.6
115.07558	30.3
116.07886	1.1
117.06984	3.1
119.08581	7.4
121.06509	7.6
121.10147	17.6
123.04433	5.1
123.08070	1.6
123.11703	4.0
125.06002	3.1
125.09630	9.0
127.03920	1.1
127.07542	9.1
131.04916	1.4
131.08557	11.1
133.02846	1.1
133.10126	31.3
135.04477	1.3
135.08060	6.9
135.11668	5.7
137.05949	5.6
137.09569	1.4
138.03104	2.4
139.03905	1.2
139.07597	2.4
139.11185	9.1
140.04666	9.0
142.02419	1.0
143.08505	1.5
143.10674	2.9
145.10100	5.5
147.11652	6.8
149.05981	5.9
149.09619	15.8
149.13280	7.3
150.09915	1.1
151.03911	1.5
151.11165	5.7
153.01807	1.0
153.05486	17.2
153.06689	1.6
153.09094	31.9
155.07042	8.7
158.10921	1.9
159.04469	1.4
163.03903	1.7
163.07558	1.6
163.11203	4.5
163.14812	4.2
165.12733	1.3
166.06288	1.6
167.07034	40.7
167.09357	2.1
167.10674	23.6
168.07428	1.2
171.10150	9.5
173.13245	14.7
177.05450	7.6
178.06265	2.3
181.04961	15.1
186.23906	1.0
191.10715	4.3
191.14273	8.9
192.97960	1.0
194.05893	1.3
195.06476	3.1
209.08109	9.2
209.11736	5.0
209.15303	7.6
209.16710	5.0
227.07027	1.5
227.09087	4.8
227.12630	3.4
227.16458	18.4
228.23355	1.3
234.95531	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1641
Annotation	MKN-003C
Peak:m/z	Relative Intensity
50.02849	1.5
53.03952	3.2
55.01865	3.6
55.05505	8.3
55.17867	1.1
56.96553	1.7
57.03432	5.4
57.07066	5.1
57.90204	1.3
59.05004	6.4
65.03923	2.9
67.05504	12.5
68.45407	1.3
69.03432	6.7
69.07074	13.4
71.04994	26.9
71.08606	1.1
71.30356	1.9
73.02935	1.9
73.06544	2.2
78.04712	2.8
79.05499	12.7
81.03429	4.6
81.07054	17.4
83.04984	10.3
83.08628	3.2
85.02900	1.3
85.06548	13.6
91.05492	16.7
91.75055	1.4
93.07049	27.6
95.04970	100.0
95.08602	16.3
96.05308	1.8
97.02911	1.7
97.06532	29.3
97.10188	2.1
99.04458	18.8
99.08086	24.5
100.11262	2.6
103.05460	6.0
103.06109	1.3
105.07026	14.6
106.04183	1.8
107.04966	18.0
107.08595	22.4
109.02862	4.1
109.06519	22.7
109.10157	11.6
111.04443	3.5
111.05588	3.3
111.08074	8.2
112.05090	1.7
113.05999	2.1
113.09667	2.9
115.07579	23.8
117.06963	3.2
117.42868	1.2
119.08601	8.7
121.02879	1.7
121.06505	11.3
121.10147	17.8
123.04424	5.0
123.08079	3.3
123.11719	7.4
124.05242	1.8
125.05994	3.2
125.09624	9.0
127.07547	14.2
127.11267	1.4
131.04942	2.7
131.08554	10.2
133.10127	41.5
135.04350	1.4
135.08081	7.1
135.11667	6.1
137.05977	5.1
137.09622	3.9
139.03938	2.1
139.07484	1.5
139.11171	12.2
140.04675	3.2
143.08554	1.3
143.10648	3.2
144.42543	1.2
145.02765	1.6
145.10133	5.0
147.11678	9.4
149.05997	9.3
149.09616	6.1
149.13254	9.1
151.11172	5.8
151.41379	1.3
153.05444	5.5
153.09111	25.5
154.08640	1.7
155.07005	4.5
156.89194	1.5
159.04372	2.1
162.03174	1.4
163.07565	1.6
163.11124	1.9
163.14809	4.1
165.05504	2.3
165.09137	2.0
167.03447	2.3
167.07043	53.3
167.10663	1.8
167.14449	1.6
171.08095	1.4
171.10144	11.4
173.13264	15.4
177.05457	16.2
181.04953	4.7
181.08656	3.0
191.10652	3.2
191.14346	12.9
195.06561	4.0
196.99284	1.4
197.81618	1.5
209.08051	11.8
209.11728	5.0
209.15344	12.8
227.03751	1.5
227.08949	6.5
227.12642	4.4
227.16380	39.0
228.23264	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1639
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03944	4.4
55.01854	1.9
55.05508	18.1
57.03438	7.3
57.07076	3.5
58.99608	1.6
59.05000	7.8
63.06600	1.3
65.03931	1.9
66.45097	1.2
67.05502	10.0
69.03429	5.7
69.07065	13.1
69.86736	2.6
69.87149	5.0
71.04986	28.4
73.06534	1.7
76.98566	1.5
79.05479	12.7
81.07047	20.9
82.06570	2.6
83.04976	5.3
83.08604	13.2
84.08953	1.6
85.06544	10.0
88.86984	1.4
91.05466	9.6
93.07038	31.1
95.04964	100.0
95.08594	17.7
96.05290	2.2
97.06520	22.6
97.10193	3.5
99.04446	15.3
99.08087	39.3
100.11250	56.1
101.11582	6.2
103.05428	2.0
105.07014	13.2
107.04956	2.0
107.08590	27.2
109.02834	1.8
109.06499	22.4
109.10162	15.0
110.06069	1.8
111.04436	3.4
111.08077	4.8
113.09637	2.5
114.09165	3.2
115.07557	11.4
117.07031	1.7
117.13857	1.6
119.08596	12.9
121.06531	4.4
121.10139	30.2
123.04414	3.7
123.08063	2.7
123.11694	8.0
125.05972	1.7
125.09624	9.7
127.07529	20.7
131.08565	9.1
133.10126	43.1
135.08063	6.1
135.11714	8.2
137.04173	3.3
137.09637	3.7
139.11157	17.3
140.04742	2.2
143.10672	3.9
145.10112	4.3
147.11671	11.4
148.05206	1.5
149.05998	3.0
149.09607	6.1
149.13237	11.6
151.11142	7.5
153.09091	27.1
163.14835	7.0
167.07040	22.4
167.10796	1.7
171.10181	10.6
173.09827	1.6
173.13252	18.4
177.05490	6.0
181.03226	2.4
181.04942	2.8
191.10719	1.9
191.14293	15.4
195.06505	2.0
195.08080	1.5
196.13379	1.8
209.08098	6.3
209.11836	3.3
209.15109	17.1
227.16162	42.6
227.19528	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	227.164
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.1
53.03941	3.1
55.01871	4.7
55.05512	10.0
57.03437	8.0
57.07077	6.6
59.04999	1.9
59.05758	0.9
65.03938	3.6
67.05504	28.1
68.99771	0.9
69.03423	6.9
69.07064	9.3
71.04990	17.2
71.06155	1.9
73.02906	3.7
79.01848	2.1
79.05486	31.3
81.03419	4.2
81.07054	11.9
83.04970	9.3
83.08620	2.5
85.06539	85.7
91.05471	29.7
93.03419	1.0
93.07040	41.6
94.07378	1.0
95.04956	12.6
95.08598	9.5
97.06525	100.0
98.06854	1.3
99.04459	2.9
99.08083	6.5
100.11246	11.7
103.05460	14.7
105.04537	1.2
105.07020	19.5
106.04175	1.5
107.01319	1.8
107.04957	10.4
107.08584	37.3
109.02865	4.8
109.06517	15.0
109.10159	8.9
111.04439	12.5
111.08067	6.7
113.06022	1.4
113.09649	2.2
115.05454	1.0
117.06985	5.7
119.04890	1.7
119.08574	18.6
120.05739	2.0
121.06500	64.9
121.10141	24.6
122.06845	1.3
122.10474	1.0
123.04429	7.7
123.08083	4.3
123.11698	2.1
125.02339	3.4
125.05985	8.1
125.09624	11.7
127.03905	5.7
127.07518	2.3
129.06981	5.0
130.07794	1.7
131.04893	1.4
131.08559	54.3
133.06541	1.2
133.10100	7.5
135.04410	2.4
135.08067	3.9
135.10794	1.4
135.11646	6.2
137.05975	2.9
137.09601	8.4
137.13203	1.1
139.07552	2.4
139.11153	2.2
140.04665	15.9
141.05450	1.1
143.03430	2.6
143.07065	0.9
145.06474	1.6
145.10115	25.4
147.04420	2.3
147.08066	5.9
147.11673	4.4
148.05202	4.8
149.05981	20.0
149.09610	56.5
149.13214	6.2
150.06233	0.9
150.09930	1.4
151.07530	1.3
151.11137	8.7
153.01826	34.1
153.02878	1.3
153.05382	5.9
153.09151	1.2
155.07028	11.6
155.08331	1.6
159.05553	3.2
161.13222	2.8
163.07570	2.2
163.11169	20.8
163.12424	1.6
163.14850	3.3
165.09123	10.0
165.12720	1.7
166.06261	3.4
167.07037	19.8
167.08467	1.5
167.10664	26.5
168.10959	1.0
169.12231	2.7
171.02899	3.4
171.06461	1.0
173.09644	5.2
173.13275	3.7
176.04720	1.1
177.05464	50.6
179.07068	1.2
179.10675	1.6
179.14346	2.2
181.04965	13.7
181.08580	18.3
181.10075	1.4
191.10657	45.9
191.14259	5.2
194.05746	3.0
195.06509	5.7
197.11804	2.4
197.15385	1.5
209.08110	17.6
209.09753	2.2
209.11700	37.3
209.15384	3.0
210.12129	1.6
227.05450	12.3
227.09114	3.4
227.12743	15.6
227.16245	1.7
228.23123	1.5
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	MKN-003C
Peak:m/z	Relative Intensity
51.07767	0.8
53.03928	3.3
55.01865	18.5
55.05504	10.2
56.44771	0.8
57.03426	4.5
57.07050	4.3
59.04996	6.4
65.03931	2.5
67.05502	12.6
69.03423	6.2
69.07062	19.1
70.89034	2.3
71.04988	30.3
73.02897	1.5
73.06536	1.8
75.04446	0.9
76.82816	0.8
78.04684	2.0
79.05486	14.2
81.03413	4.6
81.07052	24.3
83.04967	6.1
83.08614	4.9
85.06535	17.9
91.05473	14.9
93.03352	0.9
93.07038	28.0
95.04963	100.0
95.08595	31.9
96.05283	1.6
97.02876	1.1
97.06520	29.6
97.10135	4.1
99.03809	1.6
99.04442	26.9
99.08088	34.8
100.11259	1.9
103.05455	4.6
105.04498	1.7
105.07022	18.4
106.04149	1.9
107.04930	3.7
107.08588	39.5
109.02870	1.5
109.06509	22.9
109.10158	11.9
111.08066	8.8
111.51912	1.0
113.05975	3.8
113.09633	1.9
115.07560	8.5
117.07029	2.1
119.04892	1.5
119.08570	8.0
121.05685	1.6
121.06483	14.0
121.10133	28.6
123.04427	4.8
123.08055	10.4
123.11683	9.0
124.05186	1.2
125.05968	4.1
125.09613	11.4
127.07539	17.5
129.07022	1.0
131.04897	3.7
131.08572	7.9
133.02847	1.1
133.06451	1.5
133.10120	39.8
134.03590	2.5
134.10381	1.2
135.04413	1.2
135.08057	6.1
135.10915	0.9
135.11685	10.0
137.05943	5.6
137.09601	5.5
139.07503	1.3
139.11174	16.0
140.04626	2.8
143.08553	2.5
143.10640	4.4
145.10114	6.5
145.26363	1.0
147.04376	1.1
147.11664	6.8
148.05182	4.0
149.05980	10.8
149.09573	3.1
149.13249	12.0
151.03830	1.0
151.07532	8.7
151.11137	6.5
152.04646	1.0
153.05482	1.7
153.07079	1.0
153.09084	26.5
155.07031	2.6
157.10048	1.3
158.10886	1.5
159.04398	1.7
161.68829	1.0
162.02979	1.0
163.03882	1.7
163.11174	8.1
163.14798	6.5
164.00702	1.0
165.05402	1.4
165.12682	1.8
166.06212	1.7
167.07022	48.4
167.10632	3.6
167.14313	1.0
168.07364	1.8
169.08594	48.8
170.08929	1.2
171.10185	13.8
171.11612	1.6
173.13228	16.6
177.05429	14.0
181.04875	3.9
181.08553	3.7
181.12183	4.0
183.06482	1.6
183.13748	2.1
185.11609	1.0
191.06982	2.8
191.10580	3.2
191.14314	13.6
194.05708	4.4
195.06529	7.8
209.08087	19.7
209.11720	3.0
209.15312	14.1
227.07072	1.9
227.08946	2.4
227.12712	2.5
227.16347	42.2
228.16734	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0043
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91409	0.4
53.66945	0.2
53.94826	0.2
68.67864	0.2
75.42921	0.2
82.99841	0.3
84.08132	1.6
101.00879	2.2
103.00644	1.6
116.98811	0.7
119.01907	7.1
120.01969	0.3
121.01659	4.9
121.02467	0.4
122.97786	0.4
126.18455	0.3
134.99884	2.4
137.02930	1.4
138.99435	0.3
139.02722	0.9
140.98793	2.1
153.00917	0.6
153.13594	0.3
158.22382	0.3
158.99866	7.8
159.07999	0.3
160.00015	0.5
161.01448	0.6
161.99835	0.3
162.99387	1.0
177.00935	74.2
178.01039	6.4
179.00804	1.3
179.02625	0.3
180.00829	0.9
181.00400	7.8
185.01395	1.4
188.07683	0.3
195.01981	0.9
200.02620	0.5
200.99269	0.3
201.00990	0.9
203.02495	31.1
204.02621	2.4
205.00470	1.7
210.99261	1.9
212.07684	0.4
219.02003	12.1
220.02138	1.0
221.01688	0.5
221.03661	1.0
222.01866	0.4
223.01479	7.2
226.04044	0.6
229.00395	8.2
229.05530	0.3
229.10374	0.4
229.15817	0.3
230.00554	0.8
230.08868	0.4
242.03712	0.3
247.01476	100.0
248.01614	8.0
249.01807	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0859
Annotation	4,4',6-Trimethylangelicin
Peak:m/z	Relative Intensity
53.03942	0.7
55.01871	2.8
55.05505	0.7
55.46977	0.5
67.05490	1.2
69.03389	0.5
69.22348	3.6
71.05017	0.8
78.04712	1.7
79.05492	1.5
81.03412	3.8
81.07057	1.6
83.04978	0.6
85.02917	0.9
91.05468	6.0
93.07032	1.0
95.04968	2.0
95.72969	0.5
97.06506	0.5
103.05452	2.0
105.07037	3.8
106.04158	1.0
107.04934	2.7
108.05271	0.7
109.02888	1.7
109.06505	0.6
110.03220	0.9
115.05457	7.7
116.06219	1.9
117.07027	6.0
119.08544	1.2
121.06501	1.0
123.04430	3.9
124.05230	1.0
127.05496	0.8
128.06224	18.7
128.07181	0.9
129.07002	48.2
130.07355	0.9
131.04930	4.7
131.08563	14.4
133.06506	2.9
135.08041	0.9
137.05945	0.9
139.05518	0.7
140.06253	0.7
141.06987	22.0
142.07472	0.7
143.04912	0.6
143.08575	3.1
144.05698	2.2
145.06487	8.6
145.10132	1.8
147.08147	0.6
149.05942	1.3
151.03926	1.7
151.07544	1.2
152.04839	1.1
152.06128	1.0
153.06984	12.5
154.07790	4.3
155.04921	1.7
155.06035	3.8
155.08553	46.4
156.08917	1.6
157.06487	100.0
158.07103	3.5
159.08054	32.8
160.08411	0.8
161.06003	0.7
165.06992	11.5
167.07037	53.3
168.05730	12.4
168.07246	1.3
168.16426	0.5
169.05048	1.0
169.06470	19.6
169.07924	1.0
171.08055	7.2
172.08757	1.7
173.05923	1.1
173.09671	3.9
181.06467	1.3
181.08633	0.9
182.07227	1.0
183.08051	37.7
184.08392	1.8
185.05978	41.0
186.06682	3.2
187.07518	11.0
193.06474	7.5
193.08330	1.1
196.05299	0.9
197.06007	1.2
198.06732	1.2
199.07487	2.7
200.08243	1.0
201.09114	14.9
211.05629	1.1
211.07520	12.3
211.09529	0.8
212.07819	0.6
229.04956	1.1
229.08600	18.9
229.12204	1.1
230.09016	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1069
Annotation	Decarestrictin E
Peak:m/z	Relative Intensity
53.03946	1.5
55.01858	1.3
55.05504	1.2
63.32347	0.4
65.03944	0.6
67.05506	3.5
68.68343	0.4
69.03422	6.0
69.07069	0.5
70.86286	1.0
78.04708	3.0
79.05489	4.1
79.77663	0.5
80.10026	0.4
81.07056	1.9
83.04990	0.6
85.02891	0.5
91.05479	5.6
93.07041	3.2
95.04964	6.6
95.08588	0.8
97.02876	0.6
97.06516	0.8
103.05465	2.0
105.07032	5.8
106.04162	2.2
107.04938	2.0
107.08566	0.9
109.02869	1.4
109.06499	0.9
115.05437	1.5
116.06321	0.5
117.07014	2.1
119.04985	0.5
119.08585	4.4
121.06503	5.2
122.03640	0.7
122.07323	0.6
123.04417	7.7
124.05214	2.2
127.41795	0.5
128.06221	1.8
129.06969	3.2
130.07835	0.7
131.08562	7.3
133.06467	2.0
133.10147	0.6
134.03613	0.8
135.04402	0.9
135.08051	0.9
137.05951	1.4
141.06989	2.5
142.07758	3.0
142.78180	0.5
143.08554	5.5
144.09283	1.6
145.06444	2.9
145.10118	4.2
147.08035	1.6
149.05984	2.9
151.03917	1.0
152.04677	1.9
153.06978	3.2
154.07764	1.4
155.04883	0.5
155.08511	5.0
156.09361	1.3
157.06490	1.2
157.10106	2.4
158.07228	1.5
158.10855	1.2
159.08052	5.8
159.11667	5.6
161.05989	1.4
165.06853	0.5
166.06320	0.5
167.07031	100.0
168.07426	2.6
168.09328	6.6
169.10059	1.7
171.08006	2.9
171.11670	0.9
172.08820	6.8
173.05959	0.9
173.09615	4.3
173.13249	3.9
178.07747	1.7
180.98984	0.5
181.06488	2.6
181.08548	1.8
181.10040	0.6
183.09186	0.8
183.11673	10.4
185.09598	1.7
185.13232	0.8
186.10315	3.3
187.07538	2.6
187.11142	7.2
188.08186	0.6
193.08542	1.4
193.10152	2.9
196.08839	8.5
199.07530	1.0
199.11223	0.6
201.09038	0.8
201.12732	13.2
202.13052	0.7
211.11182	14.2
212.11598	0.5
214.09831	1.9
229.12224	42.9
230.12547	0.9
237.31299	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1222
Annotation	Bisphenol A
Peak:m/z	Relative Intensity
53.00305	0.9
53.03950	1.5
55.01869	1.7
55.05505	2.4
59.84957	0.7
59.87181	0.8
65.03934	1.4
67.01850	0.7
67.05499	7.3
68.99789	0.9
69.03429	10.0
69.86671	1.6
69.87064	1.4
70.06601	0.7
78.04704	2.7
79.05488	5.9
81.03406	0.7
81.07053	3.3
83.05003	0.8
91.05479	12.0
93.07032	7.1
95.04970	13.8
95.08588	0.9
97.02860	0.7
103.05481	2.3
105.07024	13.1
106.04176	1.9
107.04946	3.5
107.08578	2.1
109.02852	2.7
109.06548	3.5
115.05477	2.0
116.06211	1.8
117.07016	5.3
119.04928	1.1
119.08580	8.9
121.06492	9.9
122.03667	0.8
123.04423	6.5
123.08071	1.0
124.05205	2.4
128.06229	5.5
129.06989	7.5
130.07787	1.6
131.04919	0.9
131.08571	12.8
131.11697	0.7
133.06464	3.6
133.10089	1.1
135.04398	1.4
135.07002	0.7
135.08014	1.9
137.05975	2.2
141.06975	5.4
142.07770	7.3
143.08563	13.1
144.09351	3.4
145.06502	7.5
145.10104	8.5
147.08014	4.8
149.05981	3.0
151.03944	1.1
152.04686	1.9
153.06987	8.5
154.07777	2.0
155.08545	13.9
156.09311	1.7
157.06467	1.9
157.10081	5.4
158.07300	2.5
158.10902	3.3
159.08040	15.6
159.11696	9.8
161.05991	2.4
166.07718	1.1
167.07040	97.3
168.07422	2.3
168.09335	15.0
169.10092	5.0
170.10844	2.0
171.08049	8.4
171.11714	0.9
172.08820	15.6
173.05983	2.9
173.09604	8.5
173.13255	8.8
175.07471	1.2
178.07777	3.6
181.06468	6.4
181.08505	1.7
181.10095	0.9
183.09267	0.9
183.11691	20.3
185.09610	3.8
185.13271	2.8
186.10399	8.8
187.07541	4.9
187.11171	17.9
188.08205	0.7
193.08554	2.1
193.10133	7.1
195.08055	1.6
196.08821	18.2
197.09425	1.1
199.07523	1.8
199.11066	1.2
200.08275	1.0
201.05443	0.9
201.09155	1.9
201.12738	28.2
202.13115	1.4
205.89218	0.8
211.11163	30.0
212.11418	1.1
213.57227	0.8
214.09882	3.6
229.12228	100.0
229.23795	1.0
230.12599	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	229.1222
Annotation	Mansonone C
Peak:m/z	Relative Intensity
51.63021	1.0
52.54377	0.8
53.03939	6.0
55.05518	4.2
65.03935	0.7
67.05502	4.5
69.03056	1.5
69.03426	27.8
69.04843	8.2
69.07046	0.9
79.05484	1.9
81.07049	2.8
83.04975	3.3
83.08613	2.2
91.05472	9.1
93.03391	1.6
93.07047	9.2
95.04952	2.6
95.08590	1.0
97.10152	5.5
103.05481	1.6
105.07004	6.1
107.04951	1.0
107.08561	1.9
109.02869	20.3
109.06525	1.2
109.10128	1.8
115.05441	2.0
117.07005	3.4
119.08555	9.1
121.06502	10.4
121.10088	1.5
125.09614	4.3
128.06223	3.1
129.06976	6.2
130.07771	2.2
131.08559	16.2
131.69905	0.7
133.10126	11.4
135.08055	2.2
141.06952	3.5
142.07779	3.6
143.08537	16.9
144.09343	6.9
145.06473	4.8
145.10124	13.1
153.07001	2.9
154.07709	1.0
155.08549	6.7
156.09320	1.4
157.06488	2.5
157.10085	4.7
158.07242	2.3
158.10904	18.8
159.08063	9.7
159.11670	12.8
160.08896	0.9
161.09639	2.0
167.08495	1.5
168.09361	5.4
169.10089	3.3
170.10925	8.3
171.08014	8.8
171.11636	1.3
172.08824	11.6
173.09612	44.7
173.13248	43.8
174.10013	1.8
174.13586	1.7
175.07498	2.2
178.07693	1.1
181.06496	3.9
183.11700	9.2
184.12181	0.9
184.96890	0.8
185.05933	0.8
185.09630	2.8
185.13202	2.7
186.10379	28.5
187.07634	4.1
187.11165	74.7
188.11491	3.1
189.11284	2.2
193.10139	2.2
196.08803	8.6
197.09612	0.8
199.07518	3.7
201.12726	59.2
202.13092	2.9
211.11206	11.0
212.11584	1.0
214.06319	1.5
214.09807	5.7
229.08539	3.6
229.12230	100.0
229.14264	6.9
230.12585	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	229.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39457	5.0
52.90570	4.8
55.01852	10.2
55.05507	32.4
57.03428	20.3
59.05001	7.2
67.05502	100.0
69.03431	7.5
69.07065	15.3
71.05012	5.0
71.33061	8.2
76.68519	5.8
79.05498	30.1
81.06620	8.7
81.07057	86.2
83.08618	12.7
85.06565	9.8
91.05479	51.4
93.07050	30.3
95.04955	11.0
95.08601	33.0
97.06504	12.7
105.07033	55.3
107.05000	11.9
107.08585	22.2
109.06527	10.7
109.10159	71.5
113.18204	6.0
115.05461	13.1
117.07044	14.9
119.08564	61.2
121.10141	32.1
123.11688	33.1
128.06221	12.0
129.07010	18.6
130.07808	7.0
131.08559	33.1
133.10123	19.3
135.11690	8.6
141.07014	17.7
142.07776	11.6
143.08566	15.2
145.06493	6.1
145.10094	41.0
147.11684	90.1
151.03926	6.9
153.06944	9.5
155.04968	7.6
155.08530	19.2
157.10141	29.7
158.07330	14.3
158.10814	7.2
159.08047	9.1
159.11668	39.5
165.12758	31.9
169.06465	15.2
169.10129	22.4
171.11635	9.4
173.09691	12.6
173.11810	12.5
173.13290	29.7
175.11162	18.4
183.11745	17.3
185.13217	8.9
187.07544	9.6
187.11191	17.7
187.14790	12.7
192.03317	5.7
197.05913	10.0
201.09082	15.8
201.12720	12.0
201.16362	7.1
211.11040	6.9
211.14873	18.6
213.05411	7.0
214.06241	8.6
229.04898	14.6
229.08592	65.6
229.12204	39.7
229.14330	75.0
229.15990	50.0
229.19441	52.4
229.23517	7.1
230.08925	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	229.1546
Annotation	Pro Ile
Peak:m/z	Relative Intensity
55.01878	0.4
55.05508	0.3
58.06596	5.6
58.06873	0.5
59.07385	1.3
60.08162	6.4
68.05027	0.9
69.53705	1.3
70.06589	34.5
71.06917	0.4
71.11777	0.3
72.08162	0.5
79.60458	0.3
95.06091	0.4
96.08114	1.4
98.06095	0.6
98.22606	0.2
101.00874	1.4
114.05530	4.1
114.09168	1.9
116.07084	1.1
119.01902	2.6
124.07600	3.2
126.09173	0.9
131.01901	0.5
137.02995	0.3
142.08629	30.4
143.08978	0.6
170.08112	1.3
183.07658	1.1
187.00835	0.6
187.04613	0.3
215.00389	0.4
229.15457	100.0
230.15849	2.3
245.63800	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.2
55.01881	0.6
56.96566	3.2
58.06600	6.1
59.07390	1.0
60.08163	8.3
68.05027	1.2
69.03413	0.3
69.96578	0.7
70.06590	41.5
70.99876	0.3
71.04993	0.3
71.06903	0.4
72.08166	0.7
84.08149	1.2
85.02906	0.3
86.09689	0.3
89.00822	0.3
96.08150	1.5
96.16368	0.2
97.02937	0.3
98.06046	0.8
98.97583	7.7
101.00871	4.0
102.00974	0.3
113.00941	0.2
114.05528	4.8
114.06738	0.3
114.09174	2.3
114.09893	0.2
114.10303	0.5
116.07097	1.0
116.98620	4.5
119.01920	8.9
120.02020	0.6
121.58166	0.2
124.07597	3.5
126.02237	0.4
126.09145	0.7
126.12766	1.7
131.01907	0.7
133.03455	0.4
134.99675	1.7
137.02953	1.8
140.03862	0.3
142.08629	35.4
143.01947	0.5
143.08945	0.6
144.99850	0.5
145.03453	0.4
158.99905	0.4
161.02962	0.7
167.06947	1.2
168.99757	0.5
170.08107	1.5
177.00935	2.3
177.02347	0.3
184.04613	0.4
187.00896	2.2
187.04539	0.4
188.05943	0.4
189.04344	0.7
203.02539	0.9
205.01909	0.8
206.06995	0.9
207.05388	0.5
212.07712	0.4
215.00328	1.2
224.07976	0.9
229.15462	100.0
230.06886	0.6
230.08977	0.4
230.15797	2.7
247.01395	2.8
248.08052	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.9902
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23685	3.4
56.96574	8.5
70.06582	11.1
71.06937	5.4
71.22015	6.0
82.02278	3.0
82.99861	2.8
85.01408	10.1
99.11679	3.1
101.00887	25.5
103.00615	8.9
103.02463	18.0
116.98719	3.0
117.03977	7.4
119.01917	75.2
119.02775	4.5
121.01650	23.9
121.03516	8.3
127.02416	3.4
129.00348	5.3
133.01738	3.0
133.03436	5.9
135.05019	5.7
137.02954	15.5
139.02675	5.3
142.08643	5.6
143.08948	7.1
145.03471	48.0
147.01405	27.9
161.02974	21.2
163.04556	27.8
165.02475	4.0
171.01341	15.1
188.77618	3.1
189.00826	5.4
189.02451	100.0
189.04167	5.0
207.03519	19.5
213.12428	4.4
217.00089	4.0
227.34216	3.3
230.15840	20.7
231.03430	28.5
231.16016	12.7
249.04562	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	231.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	1.0
56.96548	0.6
58.99846	1.2
59.26513	0.4
60.09629	0.5
60.09947	0.5
65.59801	0.6
66.90298	0.6
66.97340	0.5
68.98285	2.1
70.06596	0.5
70.62430	1.0
70.99862	0.9
71.02062	0.4
73.01398	1.0
82.99835	4.9
85.00935	0.6
85.01415	9.5
86.99300	1.5
90.63622	0.5
91.02435	1.2
98.97588	0.5
101.00884	34.8
102.00938	1.1
103.01788	0.9
103.02451	17.5
105.00347	0.8
110.99319	0.5
112.12640	0.5
113.00868	1.5
115.02422	0.5
117.04002	10.8
119.01924	62.6
120.02003	1.6
121.03490	5.7
127.02396	4.6
129.00359	6.4
131.01907	3.0
133.03477	5.6
135.05046	6.8
137.02960	10.2
142.03479	0.6
143.01889	1.4
145.03464	47.8
146.03694	1.1
147.01390	25.7
148.01495	1.0
151.04483	0.9
161.02972	14.8
163.04530	19.4
164.04608	0.8
165.02441	5.1
166.98756	0.5
171.01390	19.0
173.02966	1.6
179.04033	4.0
187.04529	2.5
189.02448	100.0
190.02605	3.6
191.03920	1.0
199.00876	0.9
205.05612	0.9
207.01556	1.0
207.03522	21.4
207.35591	0.6
212.04059	1.7
231.03514	28.7
232.03741	0.6
241.36189	0.5
249.04558	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	231.035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.8
56.96557	1.6
58.99846	0.9
68.98276	2.2
69.04627	3.4
69.05054	2.1
70.06583	1.7
70.99840	1.3
71.77016	0.5
73.01418	0.6
75.20712	0.5
82.99826	5.3
84.08128	0.7
84.96000	0.5
85.01405	10.9
86.99315	1.6
91.02445	1.1
94.99814	0.8
98.23374	0.7
101.00873	38.1
102.00967	0.8
103.00588	0.8
103.02444	18.7
105.00341	1.0
110.99275	0.6
113.00863	1.8
115.02441	0.7
117.03992	10.4
119.01915	64.5
120.02016	2.1
121.01659	1.6
121.03469	6.3
124.99123	0.5
127.02405	5.3
129.00327	6.1
131.01884	4.0
133.03453	5.6
135.05025	7.2
137.02948	9.9
142.03459	0.6
142.08568	0.5
143.00145	1.1
143.01900	4.0
143.08975	0.7
145.03453	50.6
146.03635	1.3
147.01381	28.1
148.01524	0.8
151.04509	1.1
155.01900	1.6
161.01344	0.9
161.02953	18.6
163.04514	19.7
165.02458	4.6
168.05099	0.8
171.01372	21.3
171.02861	1.2
173.02995	3.6
179.04012	3.2
183.03427	1.1
185.02936	1.1
185.04507	0.6
187.04448	3.3
189.02435	100.0
190.02571	4.5
191.04057	1.2
199.00887	0.8
203.03958	1.1
205.05554	0.9
207.03500	20.9
212.04080	1.8
219.03406	1.0
230.15805	2.4
231.03490	28.8
231.16121	1.2
232.03755	1.3
237.80348	0.5
249.04535	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	231.065
Annotation	Visnagin
Peak:m/z	Relative Intensity
53.03966	0.6
55.01867	4.8
55.05496	0.7
68.99792	1.4
69.03427	1.3
71.04990	1.1
76.18190	0.6
78.04720	1.1
79.05527	0.6
80.01524	0.5
80.02072	0.5
81.03439	0.5
81.07072	0.9
81.88975	0.5
83.04984	1.5
85.02882	1.3
85.96876	0.5
90.04659	0.5
91.05479	6.8
93.07043	0.9
98.23406	1.3
98.97534	0.6
103.05460	1.2
104.06233	3.3
104.12811	0.6
105.07034	2.4
107.04924	0.6
108.77764	0.6
111.04458	1.2
115.05447	100.0
116.05662	1.0
116.06347	1.3
117.07018	2.2
118.04144	1.2
118.06553	0.7
119.04945	5.3
119.08604	1.2
121.02861	0.6
121.06578	0.6
127.05456	0.8
128.06200	1.0
129.06992	1.7
130.06487	0.8
131.04919	7.4
132.05701	10.9
133.06491	2.0
137.06004	1.0
141.03693	1.6
142.04222	0.6
143.04912	39.9
144.05737	4.1
144.08046	0.6
145.06473	1.3
146.03644	2.2
146.06044	1.2
147.04376	1.5
147.08066	4.7
149.05945	0.8
151.03929	1.1
155.06052	0.8
157.06438	0.8
158.09660	3.2
159.04370	0.8
160.05188	21.1
161.05974	5.5
162.03104	1.7
168.08115	0.8
171.04396	31.8
172.05101	2.7
174.06725	0.9
175.07532	26.1
177.05484	3.5
178.82289	0.6
185.05934	1.3
187.03896	1.5
187.07489	0.7
188.04668	19.7
189.01797	1.5
189.05275	1.1
199.03886	9.5
200.04480	1.0
203.07013	81.0
204.07364	2.3
213.05434	1.2
214.08467	0.8
216.04149	2.7
231.06494	75.1
232.06818	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	232.1542
Annotation	Butyryl-L-carnitine
Peak:m/z	Relative Intensity
55.15084	0.2
57.03431	1.6
57.19000	0.2
58.06599	0.2
60.08160	8.0
68.78887	0.2
69.43892	1.1
71.04987	1.9
84.08129	0.5
85.02898	100.0
86.03226	0.8
89.05989	0.2
97.57536	0.2
129.07858	0.4
144.10191	1.9
173.08084	9.9
232.15416	21.5
233.15706	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0422
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73359	5.4
56.96554	14.1
57.61456	6.2
60.05621	6.9
67.24761	5.3
69.03426	7.4
70.06580	21.8
71.31731	8.7
75.19204	5.1
84.08151	36.7
85.02915	13.7
86.06073	14.8
94.93014	8.6
101.00890	20.5
103.00629	20.6
103.02447	7.2
105.02186	25.1
115.02402	7.1
117.87766	6.2
119.01917	50.8
119.03735	8.1
121.01653	71.0
123.03212	8.5
128.10709	6.8
130.09778	7.7
130.12299	6.7
137.04782	10.1
139.02689	25.5
143.01917	28.7
145.03474	11.0
147.03207	38.5
149.01076	33.6
153.54175	6.6
156.10106	7.4
161.02982	53.0
163.02666	13.8
165.04272	22.7
167.02075	6.9
173.01180	19.1
173.02910	7.2
174.11226	7.8
175.04601	7.4
189.02505	13.6
191.02199	100.0
191.03934	12.5
209.03349	18.1
233.03394	18.1
233.06459	47.3
233.12350	9.2
233.15552	18.0
233.18712	8.6
251.02359	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	233.117
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59465	0.6
53.44361	0.6
67.05488	0.9
71.33566	0.7
71.64894	0.6
79.05477	1.4
81.06588	0.7
81.07052	2.0
91.05463	3.7
93.07037	2.7
93.70871	0.6
95.08600	2.1
103.05499	1.3
105.04466	0.7
105.07024	11.7
107.04934	0.8
107.08598	2.5
109.10133	0.9
115.05388	3.4
116.06284	0.8
117.07005	5.5
119.08575	2.7
121.06508	0.8
121.10157	1.5
128.06192	9.2
129.07007	5.7
130.07785	18.8
131.08572	3.0
133.10141	1.6
135.11678	1.1
141.07036	2.2
142.07753	1.4
143.08551	34.0
144.05655	1.3
145.06432	2.7
145.10117	53.4
146.10437	1.5
147.11693	1.2
149.69225	0.7
153.06946	2.5
154.07727	1.4
155.06015	1.0
155.08537	14.2
157.06468	2.5
158.07259	62.4
159.07884	2.8
159.11661	1.3
163.07573	1.7
171.04422	1.3
171.08110	4.2
172.08797	2.5
173.09607	100.0
174.09900	2.5
175.07529	2.6
177.05447	3.9
178.06204	2.9
183.09221	5.8
186.06740	9.6
187.11288	0.8
187.14784	2.8
189.09058	2.1
190.09865	0.8
191.06946	0.9
191.14186	0.8
201.09090	86.5
202.09459	3.9
203.06982	2.2
214.61832	0.7
215.17870	1.4
218.09338	5.2
233.09344	1.7
233.11670	31.5
233.15067	4.4
233.18968	3.1
234.12085	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1172
Annotation	Drupanin
Peak:m/z	Relative Intensity
53.03944	1.9
55.01867	2.7
55.05506	3.2
65.03917	0.8
67.05505	5.0
68.99792	0.9
69.03436	4.7
69.07065	4.2
71.04980	2.8
71.13303	1.0
77.15702	0.7
79.05489	12.5
81.03419	1.2
81.07070	5.8
83.04984	2.0
85.06522	1.5
91.05479	15.5
93.07049	10.1
95.04958	5.8
95.08620	1.9
96.87608	0.8
97.06539	1.3
99.04465	5.7
103.05479	2.5
105.04535	1.1
105.06348	1.6
105.07031	28.0
107.04947	14.3
107.08588	6.2
109.06511	4.4
109.10129	1.0
112.05304	0.7
115.05447	2.8
116.06242	1.2
117.07014	15.8
117.14197	0.8
119.04957	4.7
119.08586	10.2
121.06493	11.5
121.10138	3.1
123.04424	1.1
123.08060	1.0
125.05968	1.2
128.06227	2.9
129.07004	6.7
130.07796	9.6
130.73515	0.9
131.04903	2.0
131.08588	12.0
133.06433	4.7
133.10136	3.7
135.04413	1.9
135.08057	3.6
135.11685	3.4
137.06009	2.2
141.06993	3.0
142.07805	1.1
143.08554	8.8
144.05650	1.3
144.09325	3.6
145.06496	7.8
145.10129	61.7
146.10497	1.7
147.08040	2.9
147.11703	6.2
148.08838	3.3
149.05919	1.5
149.09688	0.8
154.07782	3.7
155.08568	2.2
156.09319	1.7
157.10133	2.1
158.07285	4.9
159.04398	1.2
159.08047	5.5
159.11676	17.9
160.60590	0.9
161.06001	1.5
161.09602	1.2
161.13171	0.9
163.07590	2.5
163.11183	51.4
164.11572	1.1
169.10170	7.9
171.08041	1.1
171.11702	1.3
172.08871	2.7
173.09625	100.0
174.06680	1.2
174.09967	3.4
175.07489	1.8
175.11189	1.1
177.05394	1.0
179.08600	1.4
182.07236	1.0
187.07664	2.3
187.11176	31.7
187.14763	1.6
188.11629	1.8
189.09035	1.8
189.12772	3.6
191.10641	6.1
197.09608	6.7
205.04915	1.2
205.08533	1.5
205.12210	5.0
215.03384	0.9
215.10675	21.6
215.14253	2.5
217.04993	1.0
218.05717	1.6
233.04359	1.7
233.08110	10.3
233.11719	25.5
233.15163	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	233.1171
Annotation	Mexicanin E
Peak:m/z	Relative Intensity
53.03936	3.6
55.01878	5.9
55.05497	3.8
56.96553	1.3
57.07084	1.4
58.91138	1.1
59.04979	2.5
65.03913	3.6
65.32366	1.1
67.05504	15.9
67.16653	1.2
68.68845	1.1
68.99763	1.6
69.03428	13.9
69.07062	2.5
71.01330	1.4
71.04981	6.5
71.34006	1.4
77.40497	1.2
77.79320	1.2
79.05493	20.0
81.03424	2.1
81.07048	12.8
83.04980	2.5
85.02940	1.2
85.06547	2.9
91.04926	1.8
91.05479	35.7
93.06509	2.2
93.07046	27.9
95.04968	16.9
95.08608	6.4
97.03004	1.3
97.06520	3.4
99.04446	12.7
103.05428	5.8
105.07024	57.8
106.07346	2.0
107.04957	11.2
107.08591	8.9
109.02853	1.3
109.06533	8.9
109.10172	1.4
111.04439	2.1
113.06004	2.1
115.03907	2.3
115.05482	7.8
116.06258	3.0
117.07018	28.3
118.65898	1.4
119.04938	69.9
119.08569	19.5
121.05676	2.3
121.06498	25.3
121.09757	2.8
123.04430	2.3
123.08058	1.8
125.06030	2.7
128.06210	8.3
129.06996	13.8
130.07782	15.9
131.04912	6.1
131.08560	32.4
133.06502	11.1
133.10130	13.8
134.07268	2.0
135.04390	3.4
135.08018	4.0
135.11674	2.6
137.05956	4.9
141.06960	8.0
142.07776	3.3
143.08560	21.1
144.05670	6.2
144.09366	11.7
145.06476	22.9
145.10121	100.0
146.07217	2.3
146.10483	3.5
147.08015	5.3
147.11676	3.9
149.05997	2.3
149.09564	2.9
151.07529	2.4
153.07025	3.6
154.07803	10.6
155.06013	2.5
155.08572	8.6
156.09343	2.9
157.06483	2.4
157.10078	3.8
158.07269	19.6
158.10904	1.4
159.08064	12.9
159.11687	48.2
161.05913	2.2
161.09608	3.6
161.13087	1.5
163.07498	4.4
163.11180	21.7
165.07002	1.6
167.08588	3.7
169.10121	22.6
171.08026	2.6
171.11673	5.0
172.05153	2.3
172.08807	5.8
173.05989	5.2
173.09622	81.0
173.13278	3.7
174.10010	3.2
175.07513	8.3
175.11241	1.9
177.05415	1.5
177.09128	2.9
177.12778	2.6
178.07755	1.4
179.08575	6.2
182.07333	5.7
186.06842	1.7
187.07611	3.3
187.11177	87.6
187.14745	3.9
188.11528	4.1
189.09160	3.1
189.12738	5.3
189.19643	1.5
189.40688	1.2
191.07034	2.3
191.10629	8.9
194.39268	1.4
197.09631	16.7
201.09087	11.1
203.07059	1.8
205.06558	2.7
205.08546	4.4
205.12222	17.8
215.10660	75.2
215.14215	4.1
216.11015	2.4
233.08128	8.6
233.11697	62.0
233.15175	13.7
233.18924	2.6
233.22243	7.4
251.09077	2.4
251.12766	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1536
Annotation	Turmeronol B
Peak:m/z	Relative Intensity
53.03927	0.4
55.01874	0.7
55.05511	7.1
56.05805	0.2
58.04650	0.2
65.03932	0.2
67.05505	0.8
69.03429	0.8
69.07068	1.0
70.46677	0.5
71.04994	2.1
77.03955	0.2
79.05496	1.8
81.03448	0.2
81.07054	1.3
83.04979	63.0
83.08614	0.2
84.05306	0.8
85.06545	0.7
91.05480	4.0
93.07044	2.2
95.04964	1.0
95.08597	1.1
97.06533	0.7
99.04433	0.2
100.09009	0.2
103.05460	0.5
105.07029	15.0
106.07374	0.3
107.04942	1.1
107.08598	2.3
109.06516	9.3
109.10143	0.4
110.06875	0.2
111.08070	0.4
112.64198	0.2
115.05504	0.5
116.06244	0.3
117.07024	2.0
119.04909	0.4
119.08581	11.6
120.08881	0.3
121.06503	3.5
121.10128	1.4
123.08072	0.5
129.06996	1.1
130.07843	0.4
131.04984	0.4
131.08568	3.5
131.09477	0.3
132.05711	0.2
132.09364	0.7
133.06488	8.3
133.10123	4.1
135.08061	2.3
135.11691	0.4
137.05978	0.2
137.09601	0.3
141.06950	0.2
142.07813	1.5
143.08546	0.6
145.06508	1.4
145.08969	0.4
145.10121	7.5
146.07257	0.3
147.08072	1.8
147.11681	12.9
148.12019	0.4
149.09619	2.6
149.13287	0.3
151.11205	1.2
155.08560	0.8
157.10118	2.1
158.07268	1.3
158.10710	0.2
159.08060	0.5
159.11627	0.9
160.08813	0.8
161.09595	0.4
161.10794	0.3
163.07590	0.6
163.11166	3.0
163.14879	0.3
171.11787	0.4
172.08833	0.3
173.09612	3.8
173.13280	1.5
175.07774	0.3
175.11180	9.5
176.11487	0.2
177.09117	0.5
187.11232	0.4
187.14755	1.4
189.12737	0.5
191.07030	0.2
191.10640	0.9
191.14369	1.3
197.13254	0.3
205.12299	0.3
205.16019	0.3
215.10843	0.3
215.14296	4.6
215.16168	0.4
215.17912	0.4
233.15355	100.0
234.15706	3.1
244.29391	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1899
Annotation	Gibbilimbol A
Peak:m/z	Relative Intensity
53.03934	3.2
55.01865	1.6
55.05511	12.2
57.03422	2.7
57.07077	6.5
67.05500	36.8
69.07063	12.3
70.21630	3.0
71.05003	5.0
71.08612	1.5
77.92531	0.8
79.05486	54.3
81.07052	39.6
83.04954	2.5
83.08613	8.2
85.06538	6.7
91.05473	33.2
92.43905	0.9
93.07037	67.1
94.07330	1.0
95.04963	5.9
95.08604	25.2
97.06512	8.4
97.10157	1.3
98.23174	1.2
99.08086	4.2
102.83961	0.9
103.05457	1.6
105.04495	1.4
105.07021	22.9
107.04922	1.1
107.08585	41.7
108.08917	1.0
109.06496	3.2
109.10153	10.8
111.08072	6.8
113.09617	1.1
115.05470	1.7
117.07010	13.7
119.08578	18.5
121.06480	1.0
121.10137	41.5
122.10454	1.0
123.08035	3.1
123.11683	5.8
125.09647	2.4
128.06201	1.2
129.06981	2.0
130.07741	2.5
131.07628	1.7
131.08560	25.3
131.70723	1.0
132.08846	1.1
133.10112	24.2
135.08031	3.0
135.11679	42.2
136.12001	1.6
137.09631	4.5
137.13243	1.5
145.10104	23.8
146.06012	1.0
147.11679	16.0
148.12067	1.2
149.09601	3.9
149.13261	17.2
151.11156	3.8
157.10109	1.1
158.07272	2.7
159.11682	18.8
161.13263	5.2
163.07556	1.7
163.11174	3.4
163.14755	1.5
173.09636	2.7
173.13240	18.0
175.14810	2.7
177.05486	4.1
177.12706	1.3
178.06227	2.5
187.14801	8.7
189.16350	6.0
201.09175	2.3
205.19452	2.9
215.17934	60.3
216.18266	2.3
233.11394	5.4
233.15237	4.4
233.18987	100.0
234.19247	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	234.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15761	0.2
55.05499	1.4
57.03434	1.8
63.74832	0.2
67.05489	0.5
69.03422	0.5
71.04990	0.5
71.30833	0.4
73.02908	0.2
74.06079	0.5
79.05500	1.5
79.63560	0.2
81.03410	0.7
81.07053	5.6
91.05482	3.0
93.07016	1.2
94.04042	1.3
95.04961	0.5
95.08595	0.3
97.02864	0.2
99.08086	0.9
103.05465	0.7
105.07030	2.2
106.06532	0.3
107.08617	0.9
109.06541	0.4
113.63381	0.2
115.05456	1.1
117.07024	2.0
119.03523	2.5
119.04903	0.5
119.08589	0.6
121.06477	0.6
121.10141	0.6
127.07446	0.3
128.06227	1.1
129.06996	1.9
131.04951	0.3
131.08560	0.8
133.06482	0.7
133.10146	0.6
135.08008	0.4
136.06178	100.0
137.04601	2.1
137.05737	0.4
137.06543	1.0
137.09583	0.3
141.06979	0.6
143.04941	0.4
143.08536	1.4
145.06477	1.9
146.10374	0.3
147.04431	0.9
147.08043	0.5
147.11702	0.3
149.09619	2.1
151.03889	0.3
153.05504	0.4
153.06990	0.7
157.06491	2.1
157.10196	0.3
160.30199	0.3
161.05965	0.9
165.35080	0.3
166.07278	0.3
169.06429	0.4
171.08046	0.8
173.06017	0.5
175.07515	0.7
179.10747	0.3
181.06424	0.4
187.07510	0.3
189.05457	1.0
189.09138	0.3
190.10872	1.6
199.07539	0.6
203.07045	0.3
205.04988	0.4
206.05681	0.5
207.06442	0.3
217.04918	0.6
217.08641	0.9
217.15833	0.8
234.13481	59.1
235.05872	3.0
235.09628	2.5
235.13611	1.8
235.16734	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.06
Annotation	Ancistroquinone
Peak:m/z	Relative Intensity
52.54522	0.1
53.03942	0.1
55.01867	0.3
55.05501	0.2
65.03940	0.4
67.01872	1.3
67.05498	0.2
68.99784	0.2
71.04989	0.1
71.31366	0.2
77.03908	0.2
79.05489	0.5
81.03416	0.4
81.07055	0.3
83.01360	0.3
83.04974	0.1
84.32846	0.1
85.02903	0.7
88.77847	0.1
91.05492	0.5
92.99780	0.2
93.03392	0.5
93.07057	0.4
95.04952	0.4
95.08613	0.3
97.06532	0.2
103.05382	0.1
105.03399	0.5
105.07030	1.3
107.04979	0.2
107.08597	0.3
109.02871	0.2
115.05471	0.2
117.06987	0.2
119.04949	0.2
119.08585	0.4
121.02878	1.4
121.06525	0.3
121.10159	0.3
123.04431	0.4
124.05221	0.2
129.06993	0.4
130.07625	0.1
131.04881	0.2
131.08585	0.2
133.02875	0.4
133.06477	0.7
133.10109	0.2
136.06201	0.3
137.02179	0.1
137.05922	0.3
139.03883	0.1
142.82449	0.1
145.06502	0.2
146.03464	0.1
147.04349	0.5
147.11629	0.2
149.02333	2.7
149.05995	0.6
149.09599	0.4
150.06749	0.4
151.03896	3.1
151.05045	0.2
153.05487	0.1
157.06525	0.2
161.05974	4.8
161.09604	0.2
162.06557	0.2
163.04019	0.1
163.07497	0.3
164.04643	0.2
165.05522	0.2
167.03412	4.0
169.04970	0.5
171.04456	0.2
175.03867	0.4
175.07535	0.2
175.11240	0.2
177.01851	0.3
177.05469	1.4
177.65686	0.1
178.06232	1.4
188.04697	0.3
189.05469	32.7
190.05803	0.9
191.07071	0.2
192.04172	3.3
192.05939	0.2
193.05020	0.1
195.02917	0.1
203.06993	0.2
205.04964	11.0
206.05742	17.2
207.06422	1.4
217.04964	15.5
217.15762	0.2
218.05272	0.7
235.06007	100.0
236.06351	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	235.0965
Annotation	Coumarsabin
Peak:m/z	Relative Intensity
57.07064	0.2
67.05511	0.2
70.64856	0.4
79.05502	0.2
81.07026	0.2
91.05467	0.3
93.07028	0.5
104.93626	0.1
105.07014	0.4
107.04982	0.1
107.08608	0.4
109.10083	0.2
109.73941	0.2
111.29048	0.1
115.05477	0.3
117.07018	0.2
119.08581	0.5
121.06455	0.2
121.10136	0.2
125.05964	0.2
127.58109	0.1
131.08449	0.2
133.06482	0.2
133.10121	0.4
137.02271	0.2
137.09665	0.2
138.06744	0.3
143.08492	0.3
145.06497	0.4
147.08015	0.5
149.05977	0.3
153.05475	0.2
155.06036	0.2
157.06505	0.1
161.06027	0.2
162.06752	0.8
163.07507	0.3
166.06175	0.1
167.03445	0.6
173.05975	0.3
175.03926	0.4
175.07558	0.8
175.11206	0.2
175.14841	0.2
177.05452	3.2
178.06111	0.2
179.10558	0.2
189.05373	0.2
190.06233	3.7
191.07021	24.4
192.07683	1.6
203.06996	0.3
205.04968	3.7
207.08046	0.2
207.10094	0.2
217.15826	0.3
219.06514	6.6
219.08662	0.3
220.07292	44.1
221.07635	1.4
222.05197	0.4
235.09633	100.0
236.09966	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	235.0963
Annotation	(+)-Goniotharvensin
Peak:m/z	Relative Intensity
52.38741	1.0
53.03954	2.0
55.01870	4.7
55.05511	7.3
57.03428	12.1
57.07068	1.9
59.04995	2.2
65.03940	1.5
67.05501	11.3
68.99782	3.4
69.03432	3.0
69.07067	5.6
70.68088	1.1
71.04981	5.7
73.98521	0.8
79.01852	1.0
79.05479	9.1
81.03419	1.0
81.07047	10.5
82.48106	0.8
83.04975	2.9
84.61996	0.9
85.06540	1.7
91.05473	16.2
93.07033	17.4
95.04953	9.4
95.08607	8.3
97.06503	4.8
103.05482	2.2
105.07021	26.0
107.04970	3.6
107.08577	12.0
109.06503	9.6
109.10138	5.7
111.08096	1.7
113.06025	1.1
115.05466	3.0
117.06997	5.1
118.02906	1.0
119.04956	3.8
119.08568	20.1
121.06508	7.8
121.10118	7.4
123.04414	6.3
123.08074	4.0
125.06017	1.5
125.09638	2.8
128.06221	2.6
129.06995	7.1
131.08583	6.1
133.06480	8.1
133.10127	18.3
135.04433	1.3
135.08043	6.1
135.11720	2.0
136.08911	1.1
137.05981	8.0
137.09639	8.7
142.07797	2.1
143.08554	7.8
145.06516	2.2
145.10118	9.4
146.07292	2.2
146.09592	1.1
147.04390	5.4
147.08066	6.1
147.11667	17.4
149.05986	3.2
149.09604	31.2
149.13313	1.1
151.03893	82.2
151.07562	3.7
151.11188	2.9
152.04207	1.5
153.06978	1.7
156.09447	1.6
157.10103	14.9
159.11740	3.2
160.05159	7.0
161.05974	12.4
161.09604	7.9
161.13277	3.0
163.03938	3.5
163.07562	9.2
163.11198	4.4
165.05470	44.7
165.09125	4.3
171.08055	2.7
171.11632	5.1
173.09578	1.7
173.13342	1.3
174.06773	8.0
175.07565	9.6
175.11182	16.7
175.12616	1.3
175.14847	3.7
177.05449	6.5
177.09177	2.6
177.12756	1.9
178.06256	15.8
179.03386	33.8
179.07002	1.6
179.10773	1.6
181.08582	1.2
181.10162	1.2
189.05539	1.8
189.09097	26.9
189.12715	5.8
189.16428	3.4
191.07051	2.9
191.10680	1.4
192.07831	2.8
193.04953	13.1
193.08690	3.1
193.12277	2.4
193.15898	2.1
199.07597	1.2
199.11148	5.7
199.14778	2.3
206.08905	4.8
207.06496	3.5
207.10143	100.0
208.10519	2.6
217.08589	16.5
217.12169	6.6
217.15826	12.6
218.09070	1.4
220.07256	1.3
235.09618	78.3
235.13341	33.2
235.16982	28.8
235.19127	1.7
236.10049	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0965
Annotation	Coumarsabin
Peak:m/z	Relative Intensity
54.47880	0.2
55.05499	0.4
56.50833	0.1
56.65360	0.2
57.07057	0.2
58.47805	0.1
67.05508	1.1
69.07050	0.4
70.46856	0.2
70.47198	0.3
71.04974	0.2
79.05504	0.8
81.07067	1.3
83.04966	0.3
83.08603	0.2
85.06498	0.2
91.05470	0.9
93.07035	1.2
95.04963	0.3
95.08608	1.0
97.06499	0.1
98.33684	0.1
105.07005	1.1
107.04944	0.3
107.08589	1.5
109.06530	0.4
109.10141	0.6
113.05979	0.1
117.06994	0.2
119.08604	1.2
121.06478	0.3
121.10158	0.8
123.04436	0.2
123.08061	0.3
123.11688	0.4
125.09659	0.2
129.06984	0.2
131.08545	0.3
133.06499	0.2
133.10132	0.9
135.08008	0.3
135.11659	0.5
137.05975	0.9
137.09616	1.2
143.08537	0.3
147.08037	0.3
147.11653	0.7
149.13271	0.2
151.03911	2.5
151.05006	0.2
151.07523	1.7
157.10127	0.4
159.08122	0.2
159.11705	0.5
161.05902	0.2
161.09631	0.3
161.13283	0.2
163.11153	0.2
165.09155	0.2
167.03436	0.7
168.04109	0.2
171.11566	0.3
173.13237	0.2
174.06783	0.2
175.07553	0.4
175.11224	0.2
175.14813	0.8
176.08351	0.2
177.05476	0.4
177.12729	0.3
179.03331	0.3
179.07031	0.2
179.10716	0.3
189.09074	0.2
189.12737	0.2
189.16331	0.8
191.10638	0.2
192.04185	0.7
192.07765	0.3
193.04973	0.8
199.14745	0.3
202.06366	0.1
202.09901	0.2
207.10184	0.3
207.13759	0.2
217.08614	0.2
217.12213	0.6
217.15857	0.6
217.19458	0.2
219.06517	20.1
220.07303	22.5
221.07582	0.8
235.09639	100.0
235.16844	3.4
236.07773	0.3
236.09999	4.0
249.48572	0.1
253.04605	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1326
Annotation	Strigolactone ABC-rings
Peak:m/z	Relative Intensity
53.30965	0.9
54.02993	0.9
55.01879	2.0
55.05515	5.0
57.07061	4.7
65.03915	1.7
67.05502	15.1
69.03417	1.4
69.07059	4.6
69.54588	6.5
79.05493	9.0
80.52583	1.1
81.06620	1.4
81.07056	19.9
83.04965	2.2
83.08595	3.1
85.06547	1.7
91.05471	10.8
93.07040	16.8
95.04932	1.4
95.08595	15.9
97.06534	2.0
97.10135	1.4
98.25635	1.0
99.08057	1.2
105.07031	15.0
107.04936	3.0
107.08566	10.1
109.06511	1.3
109.10145	7.8
111.04446	1.5
111.08068	1.7
115.05438	3.9
117.07000	3.3
119.04890	1.1
119.08564	10.9
121.10146	9.4
123.08003	1.3
123.11739	2.1
128.06219	16.1
129.06970	4.2
130.07825	1.3
131.04926	3.4
131.08563	1.8
132.05695	2.2
133.06477	21.8
133.10114	7.7
135.07985	1.4
135.11685	7.4
137.09627	1.9
137.13214	1.4
141.06929	1.6
142.07788	4.2
143.08554	41.4
145.06461	6.8
145.10088	4.7
146.03630	1.7
146.07245	4.4
146.37907	1.4
147.04422	4.8
147.08049	5.5
147.11652	6.0
149.13254	1.3
151.03877	4.2
151.11176	1.6
156.05750	1.1
157.10129	3.6
159.04446	1.2
159.08057	2.7
159.11589	1.2
160.05217	1.7
160.08827	5.8
161.05968	9.0
161.09610	1.6
161.13214	4.9
167.07117	1.0
170.07256	1.2
171.08049	26.9
173.05951	3.8
173.09636	2.3
174.06764	2.9
175.07513	3.2
175.11194	14.4
175.14790	3.5
178.06224	3.8
179.10722	2.5
185.09430	1.5
188.08292	2.8
189.09042	2.1
189.16391	2.4
191.07007	2.9
192.07768	3.3
193.08556	5.8
195.90891	1.2
203.10670	42.8
204.11160	1.8
205.08595	4.1
206.09433	5.3
207.10179	1.3
216.26089	1.0
217.15865	3.2
217.19492	11.3
220.10963	3.4
220.57552	1.3
234.74782	1.0
235.13261	100.0
235.16774	11.6
235.20531	16.7
236.13591	3.7
245.36841	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1326
Annotation	Ethoxyprecocene
Peak:m/z	Relative Intensity
55.05507	0.5
57.07058	0.9
67.05476	1.0
69.03429	0.3
69.71007	1.2
69.71419	0.7
70.53999	0.4
75.94118	0.3
79.05466	1.5
81.07046	1.7
91.05480	2.3
93.07038	0.7
95.04948	0.6
95.08578	0.7
103.05470	1.4
105.07021	8.6
107.04946	3.5
107.08577	0.8
115.05447	2.4
116.06235	0.5
117.07011	2.0
119.04929	0.6
119.08571	2.0
121.06487	0.8
121.21870	0.3
128.06209	17.5
129.07021	3.1
130.07803	0.9
131.04892	3.0
131.08548	0.8
132.05682	1.7
133.06479	21.7
133.10110	0.7
137.05930	0.5
141.06949	1.2
142.07765	4.5
143.04877	0.7
143.08549	42.1
144.05681	0.4
144.09027	0.8
145.06485	7.0
145.10109	3.3
146.03606	1.2
146.07256	4.0
147.04410	3.1
147.08051	3.0
147.11676	0.9
153.07002	0.5
155.06003	1.4
155.08534	0.4
156.05693	0.5
157.06499	0.5
157.10094	2.0
158.07198	0.7
159.04388	1.5
159.08073	1.9
160.05177	1.1
160.08815	5.1
161.05962	6.7
161.09540	0.5
167.07031	0.9
170.07246	0.4
171.08037	27.8
172.08543	1.2
173.05965	2.6
173.09608	0.9
174.06760	3.0
174.10423	0.6
175.07555	2.4
175.11157	13.1
177.05418	0.9
178.06227	3.9
179.07025	0.5
185.09637	1.3
187.07506	1.6
188.08307	3.3
189.09094	1.5
191.07022	3.9
192.07784	3.3
193.08580	5.1
202.09863	0.5
203.10652	44.4
204.11104	2.3
205.08604	2.8
206.09384	5.7
207.09979	0.5
210.00198	0.4
220.10928	3.9
232.99359	0.4
235.13258	100.0
236.13586	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	235.1327
Annotation	Pterosin N
Peak:m/z	Relative Intensity
51.02382	1.0
53.03955	3.4
55.01857	3.0
55.05517	5.1
57.07067	2.9
65.03949	2.4
67.05503	10.8
69.03438	5.6
69.07069	3.5
71.04993	2.3
71.33030	0.8
71.62532	0.6
77.03922	1.2
79.05489	24.1
79.05938	1.3
81.03436	1.3
81.07053	39.4
83.04969	4.4
83.08629	0.7
85.06548	1.8
91.05475	25.8
91.06051	1.4
93.07040	45.1
93.30486	0.6
95.04965	11.5
95.08604	7.9
95.96961	0.6
97.06524	8.6
98.40710	0.6
99.04450	4.8
101.05996	0.9
101.27807	0.7
103.05458	2.4
105.04504	2.1
105.07029	26.0
107.04953	9.3
107.08585	11.3
108.08934	0.7
109.06512	29.6
109.10181	1.5
111.04458	0.7
111.08075	1.2
113.06023	1.1
115.05447	5.4
117.07008	6.1
119.04928	1.7
119.08579	17.6
121.06499	100.0
121.10120	2.4
122.06862	2.1
123.04433	3.8
123.08064	3.8
125.05972	3.1
127.07545	10.4
128.06189	4.3
129.05490	0.6
129.06999	9.1
130.07730	0.7
131.04890	2.1
131.08556	7.6
132.05693	2.3
133.06476	7.5
133.10129	7.1
135.04417	5.3
135.08035	7.2
135.11691	1.4
137.06004	4.5
137.09613	0.8
139.07541	4.5
141.06963	1.7
142.07796	5.7
143.07056	0.6
143.07300	0.8
143.08548	9.6
144.80975	0.6
145.06471	2.1
145.10112	5.2
147.04448	1.4
147.08049	8.7
147.11673	16.5
149.05988	1.2
149.09595	2.4
151.03893	1.4
151.07611	1.0
155.08540	2.1
156.09317	5.0
157.06496	4.9
157.10123	15.0
158.07288	0.6
158.10556	0.7
159.08049	2.5
159.11700	1.6
160.05171	5.0
160.08846	1.0
161.06004	6.0
161.09607	2.8
161.13226	4.5
162.06763	0.9
163.07468	1.0
163.11136	0.9
165.07048	1.9
165.12759	1.1
166.07765	3.4
169.06418	0.7
171.08055	1.5
171.10316	1.2
171.11682	14.1
173.09662	1.8
173.13280	1.8
174.06734	1.1
174.10419	0.8
175.07538	83.5
175.11150	24.7
175.14827	1.2
176.07892	2.0
176.11574	0.6
177.12842	0.7
178.06285	0.8
181.10107	5.1
184.08836	2.2
185.06004	1.5
185.14529	0.6
187.07471	0.7
189.05453	1.0
189.09126	3.7
189.10950	1.1
189.12726	22.7
189.16348	1.5
191.06963	1.4
193.08522	1.1
193.12180	1.0
199.11174	27.3
199.14894	1.0
205.08609	1.2
207.10153	1.8
207.13750	1.1
217.12225	41.1
217.15683	1.6
218.12587	1.1
235.05728	1.5
235.07574	1.1
235.09616	11.7
235.13275	27.3
235.16850	9.1
236.13542	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1328
Annotation	Pterosin N
Peak:m/z	Relative Intensity
51.77034	0.5
53.03948	0.5
55.05509	1.5
57.07068	1.1
59.04993	5.3
66.04691	0.5
67.05506	4.0
69.03430	0.5
69.07072	2.8
70.59457	1.1
77.77163	0.5
79.05477	3.2
80.06271	0.7
81.07054	4.9
83.04980	0.7
83.08620	0.5
85.06522	0.5
89.23811	0.5
91.05472	3.9
93.07040	3.7
94.04198	0.6
95.04973	1.2
95.08603	6.0
97.06500	0.7
97.10205	0.5
103.05475	0.7
105.07005	4.0
107.04970	3.7
107.08589	2.8
108.05770	2.2
109.02823	0.5
109.06491	1.7
109.10150	2.1
117.07027	1.3
119.04972	0.5
119.08595	4.5
121.06520	2.8
121.10147	3.3
122.03596	0.8
123.04459	0.6
123.08075	1.8
123.11703	1.0
124.05225	0.6
129.06975	0.8
131.08533	1.3
133.06496	0.7
133.10117	2.9
135.04425	1.3
135.08070	0.9
135.11690	1.3
136.05173	3.2
137.02338	0.5
137.05997	1.8
137.09618	12.3
138.06738	0.5
138.09972	0.7
139.07568	1.0
141.76054	0.5
142.07722	0.6
143.08572	1.1
144.05701	1.5
145.06482	2.2
145.73969	0.5
146.07312	0.6
147.04411	0.5
147.08043	1.8
147.11667	2.5
149.06029	0.7
149.13266	0.6
150.06778	1.3
151.03915	1.6
151.07538	100.0
152.07895	2.1
155.07092	0.6
157.10127	1.2
159.08060	4.2
159.11783	0.6
160.05190	0.6
160.08844	7.8
161.05954	3.9
161.09549	1.3
161.13226	1.2
162.06767	4.9
164.08316	0.5
165.05469	13.3
165.06779	0.7
165.09122	8.9
167.07083	0.8
171.08101	2.3
172.08734	0.7
173.05998	1.0
173.09601	0.8
173.13148	0.5
174.10390	1.3
175.07567	1.1
175.11189	0.6
175.14807	1.4
176.08325	17.4
177.09106	3.0
178.09946	0.6
179.07089	2.5
179.10703	1.4
186.10394	8.7
187.07547	6.5
188.08316	2.9
189.09079	2.8
189.12733	1.8
189.16380	2.8
191.10660	23.1
193.08591	1.9
193.12242	1.4
199.11130	0.8
199.14766	0.7
202.09883	21.4
204.11403	0.9
205.12210	1.6
207.08264	0.5
207.10187	0.7
207.13713	2.8
217.08746	1.4
217.12238	39.1
217.19427	1.3
218.12553	1.3
235.13269	93.6
235.17030	4.0
235.20477	2.6
236.13530	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	235.1328
Annotation	Encecalinol
Peak:m/z	Relative Intensity
55.01863	0.4
55.02145	0.4
55.05506	0.5
57.07063	0.3
57.64667	0.4
58.33018	0.4
59.05001	5.0
66.94470	0.4
67.05512	0.6
69.07061	1.7
69.27348	3.0
79.05485	1.2
81.07041	0.8
91.05486	2.8
93.07057	1.1
95.04945	0.4
95.08607	1.2
97.06496	0.4
105.03363	0.4
105.07010	2.0
106.04186	0.5
107.04962	2.9
107.08588	0.7
108.05716	2.1
108.88901	0.3
109.06520	1.1
115.05461	0.6
117.06990	0.7
119.08571	2.5
121.06485	1.6
121.10146	0.8
123.08070	0.7
128.06227	0.5
129.06958	0.8
130.04124	0.6
131.08606	0.8
133.06464	0.8
133.10130	1.3
135.04411	1.2
136.05186	3.8
137.05991	0.6
137.09604	1.8
142.07796	0.6
143.08525	1.5
144.05702	1.8
145.06525	1.9
146.07288	0.7
147.04395	1.0
147.08032	0.8
147.11681	0.8
150.06732	1.8
151.07535	100.0
152.07896	2.7
156.09366	0.5
157.10109	0.9
158.07280	0.6
159.08028	4.0
160.08832	8.6
161.05984	3.4
161.09564	1.3
162.06731	4.5
165.05486	0.9
165.09105	8.9
171.08008	2.3
172.08861	0.7
173.05962	1.1
173.09639	1.1
173.13231	0.4
174.06668	0.5
174.10399	0.8
175.07487	0.8
176.08322	19.5
177.09090	3.5
179.06992	2.6
179.10635	0.7
179.14159	0.4
186.10410	7.9
187.07530	7.1
187.10957	0.5
188.08257	2.3
189.09061	1.4
189.16376	0.8
190.09894	0.7
191.10664	22.7
192.11119	0.5
193.08598	1.3
199.14847	0.7
202.09885	20.9
203.10196	0.9
204.11455	0.8
205.12231	1.4
207.13751	1.8
217.12233	37.6
217.15640	1.3
218.12572	1.2
235.13272	83.6
235.17007	3.5
236.13614	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	235.1328
Annotation	Pterosin N
Peak:m/z	Relative Intensity
53.75223	1.0
54.20283	0.9
55.01860	6.7
55.05502	7.2
56.06069	0.9
57.03432	2.1
57.07073	5.2
67.05506	7.7
69.03413	4.2
69.07053	2.6
69.84378	4.6
70.77522	1.1
71.04996	5.4
77.03929	1.1
79.05488	15.5
81.03429	1.7
81.07053	8.4
83.04957	2.3
85.02870	1.6
85.06530	1.6
91.05473	23.5
93.07044	16.4
95.04967	5.7
95.08600	5.4
97.06517	1.4
103.05495	2.4
105.07022	40.7
107.04926	3.8
107.08595	10.2
109.06498	5.3
109.10105	1.1
111.08028	1.0
113.06036	1.0
115.05444	3.3
116.06120	1.0
117.07030	11.6
119.04932	1.3
119.08576	22.1
121.06492	11.8
121.10130	3.8
123.04439	1.6
123.08040	3.5
128.06209	3.1
129.06998	16.6
131.08572	12.5
133.06474	21.5
133.10120	33.9
135.08061	7.6
135.11711	1.7
137.05949	3.2
137.09569	2.6
142.07782	7.3
143.08556	12.9
144.05757	1.5
145.06470	4.2
145.10112	10.2
147.04385	1.3
147.08025	11.5
147.10532	1.6
147.11676	20.4
149.05869	1.3
149.09627	4.7
151.07483	3.7
155.08543	3.1
156.05666	1.0
156.09349	2.5
157.06442	4.3
157.10129	27.6
158.07300	1.3
158.10426	1.6
159.11700	2.8
160.08704	1.2
161.05966	3.8
161.07309	1.0
161.09596	11.7
161.13235	3.3
163.07530	5.2
163.11127	1.7
165.09077	1.5
166.07712	1.8
171.08095	2.5
171.11687	15.7
173.06032	2.2
173.09628	4.2
173.13156	1.5
175.07597	9.6
175.11177	40.0
175.14780	2.4
177.09148	1.3
179.07059	2.7
179.10666	4.9
181.08504	3.0
181.10110	3.9
189.09102	3.8
189.12729	16.9
189.16328	2.1
191.07013	1.3
191.10742	1.6
193.08611	3.6
193.12234	4.2
199.11179	16.5
203.07080	1.7
207.06523	1.3
207.10159	3.2
207.13799	4.1
217.08644	2.1
217.12228	17.7
217.15767	2.0
235.05930	4.2
235.09825	6.2
235.13269	100.0
235.16769	16.5
236.13515	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	235.1327
Annotation	Ethoxyprecocene
Peak:m/z	Relative Intensity
51.02996	0.2
51.36203	0.3
54.55971	0.3
55.01860	0.5
55.05502	0.8
55.33315	0.3
57.07080	1.2
60.38079	0.2
67.05500	1.0
69.03431	0.8
69.07048	0.4
70.48408	0.7
79.05487	1.3
81.07036	1.3
82.14951	0.3
91.05467	2.4
93.07049	0.9
95.04941	0.3
95.08603	1.2
102.12702	0.2
103.05461	1.5
104.06252	0.3
105.07024	8.4
107.04950	3.5
107.08591	0.7
115.05448	3.4
115.13146	0.2
116.06226	0.5
116.65613	0.3
117.07010	2.4
119.04933	0.5
119.08594	2.2
121.06490	1.4
121.10126	0.6
127.05418	0.3
128.06212	17.5
129.07014	2.4
130.07768	0.8
131.04900	2.8
131.08566	1.0
132.05696	2.1
132.09323	0.6
133.06479	23.0
133.10127	1.0
135.11687	0.6
141.06949	1.5
142.07776	4.3
143.06140	0.8
143.08551	40.0
144.05695	0.4
144.09111	0.8
145.06474	7.9
145.10117	2.9
146.03618	0.9
146.07262	4.5
147.04396	3.6
147.08049	3.4
147.11662	1.2
149.05983	0.5
151.07495	0.5
152.06242	0.5
153.06972	0.5
155.05978	1.3
156.05704	0.4
157.06470	0.6
157.10117	2.3
158.07254	0.5
159.04372	1.6
159.08015	1.3
160.05260	1.5
160.08839	5.6
161.05971	6.2
161.09572	0.4
161.13298	0.4
162.06677	0.4
163.07469	0.4
167.07011	1.0
169.07726	0.4
170.07323	0.5
171.08040	28.1
172.08588	1.0
173.05974	3.1
173.09612	1.2
174.06750	2.5
174.10344	0.5
175.07552	2.1
175.11166	12.3
177.05458	0.6
177.09117	0.3
178.06239	4.2
179.07037	0.5
185.09573	1.1
187.01276	0.3
187.07518	1.5
188.08319	3.5
189.09062	1.4
189.12642	0.3
189.16411	0.9
191.07021	3.7
192.07788	3.4
193.08592	4.4
201.09253	0.5
202.09911	0.4
203.10657	42.7
204.11133	1.5
205.08545	2.8
206.09360	6.4
206.11273	0.3
207.10011	0.6
217.19379	0.3
220.10918	4.1
235.13264	100.0
236.13623	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	235.1692
Annotation	(E)-endo-beta-bergamotenoic acid
Peak:m/z	Relative Intensity
55.05510	13.2
57.07071	14.5
67.05496	21.3
69.07058	10.1
69.14365	4.1
71.04987	26.4
72.18768	4.0
79.05499	14.7
81.03407	27.7
81.07047	27.1
83.08604	9.8
88.04219	3.8
89.06008	7.1
91.05472	31.5
93.07037	29.7
95.04965	11.4
95.08612	32.1
97.06557	4.2
103.05407	6.9
105.07029	55.0
107.04977	8.4
107.08597	61.4
109.06536	11.2
109.10143	30.9
111.08075	14.8
113.05969	5.1
115.05446	32.2
117.07021	20.9
119.08574	45.8
121.06507	6.4
121.10155	28.1
123.08073	8.1
125.09665	20.3
127.07623	4.1
128.06274	6.7
129.06996	11.5
131.08594	11.4
132.05711	8.1
133.06544	5.4
133.10109	37.8
135.11647	20.6
137.09570	4.6
143.04890	7.5
143.08530	5.3
143.80510	3.9
145.06464	25.6
145.10092	26.0
147.08087	19.6
147.11670	73.6
149.09624	10.9
149.13240	5.2
153.02251	4.2
155.06078	10.2
157.06432	4.3
157.10127	8.5
159.11679	9.7
160.05168	7.2
161.05962	10.5
161.09618	11.9
161.13243	8.4
163.07581	4.8
163.11304	4.8
165.12781	12.3
167.07024	5.0
173.06015	17.1
173.13280	7.2
175.07492	20.2
175.11111	10.8
175.14844	16.3
179.08635	5.3
179.10614	12.0
189.09113	5.5
189.16380	32.2
190.06306	11.1
191.06924	5.0
192.05659	4.4
199.14905	5.6
203.07050	10.8
205.08621	5.3
207.08238	7.7
207.10201	14.3
217.08582	7.5
217.12256	7.7
217.15883	31.2
217.19278	4.3
235.07486	11.5
235.09651	19.8
235.13176	12.1
235.16925	100.0
235.20613	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	235.169
Annotation	10-epi-7,10-epoxy-ar-bisabol-11-ol
Peak:m/z	Relative Intensity
51.02377	0.8
53.03951	6.5
55.01880	0.8
55.05511	3.4
55.26412	0.5
55.79457	0.5
57.07088	0.5
59.68224	0.5
61.86957	0.6
65.03936	1.1
67.05504	22.2
69.07069	3.2
70.36973	1.7
70.37334	0.7
71.04985	1.3
77.03918	1.6
79.05492	35.5
80.05810	0.8
81.03413	0.9
81.07054	10.2
83.04971	0.9
83.08620	1.1
84.89386	0.6
85.06546	1.0
91.05028	0.7
91.05479	36.7
93.07041	100.0
94.07375	2.0
95.04964	7.9
95.08605	7.2
99.08134	0.7
105.04523	3.5
105.07017	6.7
107.04963	0.8
107.08589	18.8
108.08875	0.6
109.06512	0.9
109.10164	4.0
109.25967	0.6
111.08084	0.6
115.05432	0.8
117.06976	2.9
119.08579	7.1
121.06540	1.0
121.10146	24.6
122.10471	0.6
123.08068	1.3
125.09630	0.9
128.06229	1.7
129.07002	1.4
131.08560	3.4
133.06476	2.8
133.10135	6.8
133.42421	0.6
135.08087	3.4
135.11678	5.7
137.09618	1.2
142.07793	0.8
143.08537	5.0
145.06459	1.0
145.10114	1.2
147.08060	1.5
147.11671	3.0
149.09604	1.5
153.09129	1.4
157.10152	1.7
159.11661	0.8
161.06004	0.9
161.09576	1.1
161.13344	0.9
165.12860	0.7
171.08035	2.5
171.11679	2.0
173.13301	1.1
175.07552	1.5
175.11172	2.0
175.14803	2.7
179.10664	1.6
189.12766	1.8
189.16394	3.3
193.08609	0.7
199.14871	3.6
203.10603	4.0
207.08087	1.0
217.15889	3.0
220.07306	1.3
235.07497	1.9
235.09464	3.3
235.13310	9.9
235.16910	19.1
236.13576	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1692
Annotation	5-(4-Hydroxy-5-methyl-1-methylene-5-hexenyl)-2-methyl-2-cyclohexen-1-one
Peak:m/z	Relative Intensity
53.03947	3.5
55.01863	4.5
55.05508	16.4
55.19573	1.3
55.98192	1.6
56.42484	1.4
57.03421	1.5
57.07071	11.2
58.98967	1.5
59.04977	3.7
61.01146	2.0
65.03937	3.8
67.05504	17.2
67.94070	1.4
69.03422	6.5
69.07071	16.0
71.04995	34.8
71.08623	4.5
71.31805	3.1
73.06522	2.1
79.05497	27.3
81.03407	6.2
81.07059	44.4
83.04990	10.5
83.08613	6.0
85.06540	6.9
87.02705	1.8
91.05477	30.9
92.05764	1.7
93.07046	42.9
95.04970	11.1
95.08599	27.4
97.06545	7.6
97.10161	3.1
99.04435	2.2
99.08074	10.0
103.05466	3.3
104.07104	1.8
105.03745	17.8
105.04410	2.9
105.07030	61.9
106.07348	1.8
107.04962	5.2
107.08592	48.1
109.06525	16.9
109.10164	21.6
111.04456	1.8
111.08080	6.2
115.05439	6.3
117.07040	9.4
119.04936	2.1
119.08578	55.4
121.06487	21.6
121.10148	28.2
122.06779	1.7
122.10439	1.6
123.04423	3.2
123.08068	9.5
123.11685	4.4
125.09621	10.0
127.07542	7.3
127.11182	19.3
128.06226	5.1
129.07018	12.0
130.07846	2.1
131.04958	2.6
131.08566	20.2
133.06480	8.7
133.10130	39.1
135.08057	18.2
135.11703	12.7
137.05957	4.7
137.09605	11.3
139.07533	2.3
141.05450	1.7
141.09059	2.7
142.07741	4.9
143.08551	12.3
145.06435	2.7
145.10133	18.9
146.07243	4.8
147.04424	3.5
147.08075	13.4
147.10602	2.4
147.11694	38.5
149.09590	18.0
149.13269	4.6
151.03912	68.8
151.05017	5.4
151.07515	4.9
151.11162	5.5
153.09224	2.1
154.09865	2.3
155.03387	3.5
155.10583	1.7
156.09326	2.2
157.06483	3.3
157.10138	16.7
159.08031	4.9
159.11708	17.9
160.05168	2.7
161.05966	29.9
161.09616	33.7
161.13249	37.0
163.03889	3.3
163.11171	5.6
165.06973	2.9
165.09061	2.8
165.12758	4.7
168.05676	3.1
171.08051	3.3
171.11652	9.0
173.09633	2.1
173.13300	5.8
174.06738	3.8
175.07564	15.1
175.11212	18.4
175.14830	12.7
177.05507	3.1
177.12654	3.5
178.06299	3.1
178.07759	18.4
179.03386	3.3
179.07074	2.9
179.08519	30.9
179.10658	4.2
189.07018	5.3
189.09091	7.2
189.12807	12.9
189.16412	14.0
190.07825	2.7
190.16548	1.9
191.06984	4.7
191.10713	3.4
192.05682	4.1
192.07736	2.3
193.04967	3.3
193.08592	3.2
193.15874	3.2
199.11122	3.9
199.14824	14.9
203.07011	6.0
203.10562	3.8
205.06500	3.4
206.07109	2.4
207.08032	21.8
207.10159	7.4
207.13739	2.9
207.17363	1.8
217.08580	6.3
217.12347	9.3
217.15868	33.5
218.16280	2.6
235.07513	100.0
235.09674	31.0
235.13249	25.5
235.16939	97.8
235.20615	6.3
236.07954	5.6
236.17166	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	235.1692
Annotation	(3Z)-Laurediol
Peak:m/z	Relative Intensity
51.02381	0.9
53.03949	6.5
55.01873	2.1
55.05510	13.0
57.03427	0.7
57.07079	1.6
59.04990	0.6
65.03947	2.1
67.05503	22.7
69.03429	1.3
69.07069	10.8
71.05005	2.6
71.31503	0.5
73.06544	1.2
77.03923	2.1
79.05492	62.2
80.05838	1.2
81.03435	0.6
81.06577	1.0
81.07055	20.3
83.04988	1.9
83.08624	7.1
85.02924	0.6
85.06536	2.3
87.04503	0.5
91.05479	48.6
91.17808	0.6
93.07043	100.0
94.07380	2.2
95.04971	8.1
95.08605	22.7
97.06539	2.3
97.10165	1.0
99.08105	0.9
101.06031	0.7
103.05489	0.6
105.04508	3.0
105.07030	19.9
105.07745	1.0
107.08592	62.7
108.08907	1.2
109.06527	4.5
109.10162	5.9
111.08047	1.0
117.07009	3.7
119.06087	1.1
119.08575	24.4
121.06529	1.6
121.10142	47.8
122.10482	1.2
123.04442	1.2
123.08074	2.6
123.11712	0.7
127.07587	1.1
128.06206	0.8
129.07013	2.3
131.08559	5.0
133.10120	18.0
134.10486	0.5
135.08081	3.3
135.11702	10.6
137.09612	9.2
142.07848	0.7
143.08548	3.4
145.10098	3.5
147.08069	2.0
147.11697	4.0
149.09618	1.5
149.13330	0.6
151.07532	1.5
151.11130	1.0
153.09114	1.9
157.10129	4.6
159.11668	0.9
161.09621	3.2
161.13234	1.4
165.09135	1.1
171.10300	0.5
171.11703	2.3
173.13289	2.7
175.11223	3.3
175.14827	10.9
179.10689	2.0
189.12755	3.3
189.16374	5.6
193.12241	2.3
199.14804	8.3
200.15094	0.7
200.24147	0.6
207.13850	1.1
217.12288	0.9
217.15892	6.2
217.19328	0.7
235.09659	0.9
235.13326	5.5
235.16920	38.1
235.20648	1.6
236.17239	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1693
Annotation	Macrophyllic acid A
Peak:m/z	Relative Intensity
54.39447	3.1
55.01868	5.1
55.05506	14.9
57.03412	3.6
57.07079	5.0
59.05000	3.5
64.56282	2.3
67.05502	25.0
69.03432	3.2
69.07065	18.1
70.47437	3.5
70.47764	4.5
71.04626	4.1
71.04991	41.1
71.44498	2.6
79.05490	17.7
81.07066	37.4
82.84878	2.3
83.04972	7.1
83.08612	6.3
85.06561	4.0
89.06041	6.7
91.05471	21.2
93.07044	36.7
95.04988	12.3
95.08608	31.2
97.06534	8.2
97.10164	4.7
99.08112	2.5
105.07025	59.9
107.08591	100.0
109.06523	14.3
109.10154	31.1
111.08078	27.3
115.05425	4.0
117.07014	10.1
119.08578	59.1
121.06512	5.9
121.10149	28.7
123.08057	10.5
123.37328	2.3
125.09625	33.8
127.07501	2.4
127.11222	3.5
128.06186	3.6
129.07031	4.6
131.08575	22.4
133.06509	3.3
133.10136	44.4
135.07997	6.3
135.11676	24.0
136.47137	2.1
137.05928	3.7
137.09615	11.0
142.07784	8.0
143.08542	8.4
144.09290	2.8
145.06474	7.8
145.10109	22.6
147.08038	10.5
147.11684	72.0
148.11967	4.0
149.09642	5.8
149.13312	6.1
151.03876	7.9
151.07497	3.3
151.11145	2.5
153.12717	4.5
157.10135	30.0
159.11710	27.6
161.09631	11.8
161.13260	9.3
162.71596	2.8
163.11182	6.0
165.12711	14.5
171.11679	9.8
173.06145	2.7
173.13240	14.8
174.06767	3.2
175.07523	4.6
175.11209	11.1
175.14809	39.0
177.12753	6.0
179.10678	7.4
179.34612	2.7
179.36501	2.2
189.09221	2.8
189.12706	4.8
189.16383	35.6
190.06265	9.1
192.09410	2.6
193.15884	6.3
199.14812	31.9
205.08582	35.6
217.08563	4.3
217.15865	52.4
217.19374	2.6
219.06477	7.9
220.07294	5.9
235.07462	2.7
235.09648	42.5
235.13313	4.3
235.16931	84.4
235.20569	4.9
237.09619	2.6
238.08582	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	235.1692
Annotation	Rishitinol
Peak:m/z	Relative Intensity
53.03942	1.6
55.05503	4.3
57.07074	1.4
59.04980	1.1
65.03945	1.4
66.70757	0.7
67.05159	1.2
67.05500	20.3
67.65793	0.7
69.03403	1.3
69.07068	3.6
69.63212	3.7
71.04992	23.8
79.05484	12.9
81.07053	38.8
83.08613	0.7
85.06536	3.5
91.05479	10.4
93.07041	20.6
93.51477	0.8
95.04949	2.9
95.08603	40.3
97.06520	2.1
98.23229	1.3
99.08094	0.9
103.05428	0.7
105.07021	16.5
107.08592	23.7
107.43868	0.7
109.06510	14.0
109.10160	6.6
111.08083	5.3
113.09633	1.3
117.06996	3.4
119.08585	17.6
121.06500	1.5
121.10146	5.0
123.08061	100.0
124.08379	1.6
127.07549	7.1
128.06180	1.3
129.07054	4.0
129.07832	0.9
130.07791	1.0
131.08562	13.2
133.10127	17.2
135.08014	3.8
135.11671	6.9
135.12581	0.9
137.09607	39.8
138.09891	1.1
142.07770	6.5
142.09331	0.8
143.08554	8.4
144.09332	3.6
145.10100	6.0
146.14545	0.7
147.08034	0.9
147.11653	10.4
148.81897	0.7
149.09543	1.3
149.13286	0.8
151.03900	12.1
151.05011	1.8
151.11163	4.2
153.09090	0.9
157.10117	26.2
158.10509	1.0
159.11693	44.6
160.12036	1.4
161.09576	6.5
161.29472	0.9
165.12762	20.1
168.16000	0.7
169.10141	1.6
170.01736	0.7
171.11685	4.3
173.13261	4.9
175.11195	15.7
175.14803	22.0
176.11476	0.9
176.15147	1.6
177.12762	10.2
179.10628	8.4
184.12495	2.9
189.12691	1.2
189.16426	1.7
191.14383	1.1
193.15892	7.4
199.14812	92.3
200.15189	4.5
217.15872	53.2
218.16231	2.3
235.09583	2.0
235.13316	1.4
235.16913	36.5
236.17258	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1693
Annotation	Rishitinol
Peak:m/z	Relative Intensity
50.39409	1.6
53.03942	3.2
54.31105	1.7
55.01867	6.3
55.05510	11.3
57.03428	3.2
57.07071	5.8
59.05004	1.9
61.02927	5.1
67.05505	23.6
67.55805	1.9
69.03447	3.9
69.07069	21.8
71.04993	23.1
71.31871	2.4
79.05489	20.3
80.82094	1.6
81.03409	2.5
81.07056	56.0
83.04987	3.7
83.08631	6.3
85.02942	2.0
85.06530	10.6
87.04425	2.3
91.05481	30.3
93.07044	28.1
95.04980	4.1
95.08607	38.7
97.06531	4.3
99.04455	6.0
99.08096	2.3
103.05442	2.3
105.07030	64.8
106.07363	1.8
106.69905	1.8
107.04882	2.0
107.08041	1.1
107.08589	52.9
109.06525	30.6
109.10154	21.7
111.08104	6.9
115.05459	5.4
117.07030	10.1
119.08579	77.8
121.06539	5.8
121.10143	32.8
123.04475	2.8
123.08083	9.4
123.11713	4.5
125.09653	6.6
127.07544	3.2
128.06242	6.6
129.07002	11.3
131.08574	31.5
133.06482	2.1
133.10127	49.4
135.08063	4.7
135.11659	12.6
137.09615	85.9
137.13284	1.8
138.09917	2.9
139.11227	1.7
142.07750	15.1
143.08566	25.7
144.09312	7.2
145.10117	9.2
147.08057	11.8
147.11681	30.7
149.09608	5.0
149.13258	4.0
151.03865	13.4
151.07581	4.1
151.11165	2.6
155.08589	2.6
156.09370	8.0
157.06485	2.4
157.10133	61.2
157.11418	3.8
158.10831	3.7
159.11688	55.9
161.06000	3.3
161.09651	14.4
161.13264	7.2
165.09125	5.2
165.12802	12.3
165.13974	2.6
166.98940	1.7
170.10913	3.9
171.11691	27.0
173.13258	32.0
175.07568	3.7
175.11237	19.3
175.14828	100.0
176.15239	2.2
177.12726	15.4
179.10696	6.9
184.12503	3.4
189.09142	3.3
189.12804	6.2
189.16414	14.7
191.14320	6.1
193.12230	6.7
193.15953	3.4
199.11171	2.7
199.14822	63.6
200.15057	3.1
203.07002	1.8
207.10056	2.2
207.13733	2.1
217.12512	3.5
217.15874	86.1
218.16223	4.1
235.07668	4.2
235.09601	6.5
235.13261	27.7
235.16927	53.9
235.20641	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	235.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	3.4
55.05507	19.1
57.03428	4.7
57.07079	20.0
65.03922	3.1
67.05502	78.6
69.07079	19.8
71.08621	5.5
72.88113	2.2
76.84946	2.3
79.05499	26.3
81.07055	100.0
83.04958	3.2
83.08600	6.7
85.06529	9.3
85.10184	3.9
91.05482	30.6
93.07040	33.3
95.04969	5.2
95.08603	91.9
97.06519	11.8
97.10175	3.0
99.08072	10.5
104.07162	3.8
105.07027	25.3
107.08585	25.6
109.06503	3.2
109.10150	36.5
111.08037	4.8
113.09625	7.1
117.07035	2.6
119.08580	33.3
119.09831	2.2
121.06564	2.4
121.10133	24.6
123.08045	10.1
123.11671	17.5
125.09601	3.9
127.11182	3.3
129.23457	2.2
133.10120	32.6
135.11690	24.7
137.09578	5.4
137.13272	16.8
143.08582	5.7
145.10094	2.6
147.08025	5.2
147.11664	20.9
149.13234	9.6
151.11188	4.2
151.14746	10.8
156.00893	2.3
161.13239	15.2
165.12779	2.8
171.08035	4.4
175.14819	7.6
179.10623	3.8
189.16368	24.9
191.17897	4.4
203.10580	4.7
217.15923	13.0
217.19501	40.2
235.09499	3.7
235.13135	18.2
235.16933	23.9
235.20544	76.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.2055
Annotation	Nor-ent-labdan-7-en-aldehyde
Peak:m/z	Relative Intensity
53.03940	1.7
55.01863	1.9
55.05504	13.8
57.03425	3.4
57.07070	17.6
57.39403	0.9
65.03929	2.6
65.63004	0.9
67.05502	84.8
68.05826	1.6
69.07067	15.9
70.09582	3.1
71.04978	2.6
71.08632	6.2
72.57821	0.9
79.05492	24.4
81.07051	100.0
82.07344	1.3
83.04965	3.0
83.08619	8.8
85.06546	12.9
85.10166	3.9
89.84035	0.9
91.05472	23.9
93.07037	24.9
95.04957	4.2
95.08601	74.4
97.06528	8.3
97.10160	3.9
99.08085	10.9
105.07026	16.7
107.08591	14.9
109.06499	3.3
109.10158	26.1
111.08076	7.3
111.11710	1.7
113.09621	5.8
117.07046	1.1
119.08575	18.5
121.10139	17.0
121.41504	0.9
123.08034	4.5
123.11698	17.5
125.09657	1.6
127.11199	2.0
131.08548	2.0
133.10124	23.0
135.11681	18.3
137.09636	4.8
137.13251	20.0
139.11197	2.0
147.11696	14.3
149.13179	5.0
151.07510	2.4
151.11142	3.4
151.14827	8.7
153.12733	2.3
158.41760	1.1
161.05945	1.1
161.13254	12.0
163.14832	1.3
165.12769	1.2
175.14799	6.3
177.16322	1.1
179.14308	1.1
189.16353	6.1
190.12503	1.2
191.17888	3.3
203.10580	1.8
217.12248	1.0
217.19496	44.7
218.19794	1.5
235.09528	1.9
235.13158	6.8
235.17137	4.6
235.20549	78.7
236.21014	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.2054
Annotation	Nor-ent-labdan-7-en-aldehyde
Peak:m/z	Relative Intensity
53.03929	2.6
55.01857	2.6
55.05505	20.5
57.03424	3.5
57.06857	1.6
57.07076	17.6
65.03941	2.5
67.05501	81.6
69.07066	24.5
69.12086	1.6
70.94701	3.9
71.04975	4.2
71.08619	5.6
78.79166	1.5
79.05482	40.0
81.07052	100.0
82.07372	2.2
83.04974	7.2
83.08617	12.6
85.06569	8.7
85.10176	2.2
91.04935	2.5
91.05476	34.3
91.26685	1.5
93.07038	54.5
95.04937	4.5
95.08604	93.8
97.06534	10.2
97.10165	4.2
99.08099	9.4
103.05485	1.9
105.07021	35.2
106.07420	1.6
107.04961	2.2
107.07919	2.5
107.08588	33.1
109.06488	6.3
109.10150	42.4
111.08053	6.9
113.09625	5.5
115.05419	3.3
117.07017	5.1
119.08574	39.7
121.06542	2.0
121.10140	44.7
123.08043	5.8
123.11692	16.9
125.09613	2.1
128.06194	6.4
129.06978	2.4
131.08562	3.0
133.06508	11.8
133.10121	41.6
135.11682	41.0
137.05922	2.2
137.09612	4.7
137.13242	10.7
139.11165	4.2
142.07767	2.3
143.08545	22.1
145.06450	4.9
145.10089	3.3
146.07259	2.9
147.04395	2.3
147.08040	2.2
147.11684	32.5
149.13264	10.3
151.11182	3.9
151.14804	6.0
153.12682	2.0
160.05113	1.7
160.08792	2.0
161.05981	5.5
161.13254	20.4
163.14835	5.0
165.12723	2.2
171.08049	15.0
171.11668	2.1
173.06123	1.8
175.07532	3.9
175.09851	4.3
175.11179	10.0
175.14819	12.9
177.16356	5.4
178.06303	2.3
179.10590	3.0
188.08344	2.5
189.16374	8.1
191.07030	2.9
191.17937	7.4
192.07806	3.8
193.08603	3.1
203.10655	25.3
205.08539	3.7
207.09933	2.6
217.19499	75.2
220.10803	2.8
235.07454	2.7
235.09547	3.8
235.11389	2.0
235.13278	61.1
235.17000	17.8
235.20543	96.3
236.12712	10.4
236.20901	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	236.149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.3
57.03433	9.2
57.03717	0.5
58.06596	19.2
59.07376	8.8
60.08161	7.5
70.54395	0.4
71.04977	0.2
73.02906	1.3
75.04474	4.9
78.72776	0.2
84.08129	0.3
85.02899	1.9
87.04462	6.4
93.05513	0.5
100.11267	0.2
101.06009	0.3
103.03921	0.8
104.10709	0.3
105.05500	1.4
131.07040	1.6
132.33731	0.2
134.45288	0.2
144.10202	1.1
162.11180	0.3
218.13867	0.3
236.14909	100.0
237.15253	2.6
245.16953	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03904	1.5
55.01878	3.6
55.05520	7.8
67.05504	12.2
69.03414	2.2
69.07052	4.9
71.05006	3.2
71.32738	1.9
77.04664	1.4
79.05480	11.5
81.07054	13.3
83.04971	5.5
83.08604	2.2
84.76518	1.4
85.06528	1.6
91.05482	10.9
93.07040	10.0
95.04961	4.4
95.08601	10.9
97.06543	3.1
103.05454	5.1
105.03395	1.5
105.06998	8.7
107.04951	53.0
107.08575	8.6
109.06500	2.7
109.10163	8.3
111.04440	3.0
115.05465	4.2
117.07040	3.6
119.04961	2.9
119.08553	3.9
120.05730	5.0
121.06552	1.9
121.10130	6.1
123.08080	2.2
123.11726	2.5
131.08551	3.3
133.06538	1.7
133.10165	2.9
134.07266	1.6
135.08037	20.0
135.11688	4.1
137.05966	4.2
137.09691	2.2
145.06482	2.4
145.07629	1.6
145.10127	2.4
147.04393	6.5
147.11633	1.7
148.05177	3.2
149.06030	2.0
149.09657	2.4
149.13182	2.3
151.11179	1.9
153.05458	3.6
153.06970	1.6
159.08038	2.8
159.11694	2.1
163.07539	46.7
163.11185	2.0
165.05461	6.8
165.06883	2.3
167.07018	3.3
167.08456	2.1
173.05986	2.0
173.13304	3.6
177.09171	2.4
180.07808	100.0
181.08206	4.2
181.10034	2.5
187.07545	3.2
191.07013	1.6
191.10823	1.5
191.14268	3.4
195.10156	74.8
201.16393	2.3
204.07797	2.0
205.08580	4.0
209.09528	1.5
209.11519	1.5
209.15326	1.8
213.11194	2.2
219.10121	3.6
237.09114	2.6
237.11118	13.7
237.14433	12.3
237.16516	6.3
237.18594	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	237.1483
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
55.01855	0.2
55.05506	0.4
57.03422	0.2
57.07069	0.5
58.42494	0.1
59.04776	0.2
59.05000	1.7
65.14591	0.1
67.05496	0.6
67.81705	0.2
69.03416	0.9
69.07066	1.1
69.11428	0.6
69.11858	0.9
71.04992	0.4
79.05489	0.9
81.07053	1.5
83.05000	1.0
83.08598	0.3
87.04454	1.6
91.05475	0.3
91.22265	0.2
93.07043	2.5
95.08608	1.6
97.06528	2.9
97.10155	0.6
105.07030	1.3
107.04944	0.3
107.08598	1.3
109.06520	0.5
109.10162	0.8
111.04451	0.2
111.08084	1.4
111.11703	0.2
115.03851	0.2
119.08581	0.6
121.06504	0.3
121.10143	8.3
123.08056	0.5
123.11703	1.7
125.05984	0.3
125.09626	0.6
131.08597	0.5
133.07649	0.2
133.10139	0.8
135.08058	1.1
135.11679	0.4
137.09575	1.1
139.07579	0.9
139.11177	14.4
140.11475	0.3
145.10127	0.4
149.09618	4.7
149.13239	1.7
150.10406	4.2
151.11201	1.3
153.09048	0.4
158.10873	0.3
161.09654	0.2
162.10446	0.2
163.14789	0.8
167.10680	8.0
167.14366	0.4
173.13255	1.2
176.11954	0.2
177.09117	0.3
177.12743	0.2
191.14302	3.5
194.13098	0.3
195.10158	0.4
195.13788	1.0
201.12694	0.2
208.29553	0.2
209.12032	0.3
209.15361	7.5
219.13802	0.4
236.11877	0.2
237.14844	100.0
238.15176	3.2
258.87183	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1483
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
53.42890	0.1
55.01861	0.3
55.05511	1.0
57.03428	0.4
57.07074	0.9
59.05003	2.6
66.16446	0.1
67.05508	1.0
69.03428	1.9
69.07059	2.1
71.04980	0.5
76.57725	0.1
79.05482	1.9
81.07050	2.2
83.04979	1.5
83.08652	0.2
87.04467	1.9
91.05469	1.1
93.07040	4.3
95.04947	0.5
95.08601	3.0
96.08951	0.2
97.06526	5.5
97.10173	0.6
98.23331	0.3
99.04469	0.2
105.07023	2.8
106.07839	0.1
107.04939	0.4
107.08592	2.6
108.05694	0.1
109.06505	0.8
109.10156	1.6
110.07323	0.1
111.04433	0.6
111.08086	1.8
111.11704	0.4
119.08586	1.4
121.06497	0.5
121.10138	11.0
122.10464	0.2
123.08055	0.7
123.11710	1.7
125.05975	0.5
125.09619	0.9
127.04004	0.1
129.43600	0.1
131.08620	0.7
133.07585	0.5
133.10124	1.6
134.10883	0.2
135.08061	1.8
135.11678	0.8
137.09581	1.3
137.13281	0.2
139.07559	1.0
139.11174	16.0
140.11501	0.2
141.15762	0.1
143.08546	0.2
144.09387	0.2
145.10110	0.7
147.11685	0.2
149.09618	5.1
149.13271	2.1
150.10402	5.0
151.11176	1.6
153.05382	0.2
153.09082	0.3
158.10922	0.7
159.11632	0.2
161.09625	0.5
161.13258	0.2
162.10382	0.2
163.14812	0.5
165.09094	0.1
167.10684	7.3
167.14323	0.5
168.10989	0.2
173.13284	1.7
176.11963	0.3
177.09113	0.3
177.12770	0.5
189.05470	0.1
191.10579	0.2
191.14302	3.6
194.12973	0.2
195.10222	0.3
195.13820	0.7
201.12727	0.2
201.16367	0.2
209.12041	0.3
209.15370	6.2
219.10271	0.3
219.13837	0.5
237.14842	100.0
238.15164	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	237.1483
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
52.25741	0.5
55.05503	1.0
55.79713	0.4
57.07071	1.4
59.04739	0.5
59.04992	3.4
67.05477	1.0
69.03422	2.4
69.07051	2.4
70.20454	0.5
70.47797	1.6
71.04971	0.6
79.05486	1.9
81.07053	2.6
82.91132	0.5
83.04985	1.0
87.04459	2.1
91.05455	0.6
93.07036	4.3
95.04961	0.7
95.08604	2.8
97.06547	4.1
105.06994	2.6
107.08591	2.6
109.06538	1.0
109.10152	1.4
111.04367	0.8
111.08065	1.9
119.08571	1.6
121.10132	12.6
123.08028	1.0
123.11706	2.3
124.43032	0.5
125.05959	0.8
125.09589	0.8
131.08540	1.3
133.10135	1.4
135.08067	1.7
135.11636	0.7
137.09570	1.3
139.07568	0.7
139.11171	17.7
149.09612	5.6
149.13234	2.7
150.10413	5.6
151.11192	1.8
159.11710	0.7
167.10677	9.0
173.13255	1.9
177.12695	0.7
183.03519	0.5
184.17642	0.5
191.10570	0.7
191.14279	3.4
195.10019	0.6
195.13814	0.8
197.19139	0.5
209.11687	0.7
209.15344	7.6
237.14841	100.0
238.15114	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	237.1484
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
51.18274	0.2
53.03936	0.3
55.05509	0.8
57.03432	0.5
57.06814	0.2
57.07065	1.0
59.05000	3.0
67.05503	1.6
69.03431	2.1
69.07072	2.0
71.04987	0.8
71.17290	0.2
71.84496	0.2
79.05499	1.7
81.07053	3.3
83.04975	1.3
83.08606	0.6
85.06483	0.2
87.04465	2.4
90.58105	0.2
91.05469	1.3
93.07046	4.0
95.04972	0.4
95.08597	3.8
97.06528	5.1
97.10172	0.6
99.04436	0.2
105.07008	2.5
107.04958	0.4
107.08598	2.9
108.05685	0.2
109.06555	1.0
109.10155	1.6
111.04437	0.4
111.08083	2.0
111.11683	0.5
113.09682	0.2
119.08571	1.4
121.06517	0.6
121.10143	12.7
122.10432	0.2
123.08085	1.1
123.11698	2.3
124.08849	0.2
125.06013	0.3
125.09619	1.0
131.08546	1.0
133.07603	0.3
133.10117	1.7
135.08057	2.2
135.11700	0.7
137.09616	1.2
139.07585	1.1
139.11177	17.8
139.21948	0.2
143.08572	0.3
145.10098	0.9
147.08119	0.2
147.11710	0.3
149.09615	6.3
149.13249	2.4
150.10402	5.5
151.11211	2.2
153.09125	0.4
158.10910	0.8
162.10423	0.2
163.07605	0.3
163.11206	0.3
163.14830	0.8
167.10674	9.9
167.14279	0.3
173.13251	1.9
176.11963	0.3
177.12759	0.4
179.10748	0.4
191.14301	5.1
195.10185	0.5
195.12029	0.2
195.13782	0.9
209.09851	0.3
209.12039	0.4
209.15359	8.6
219.10159	0.2
219.13739	0.7
237.14841	100.0
238.15179	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	237.1848
Annotation	Carissone
Peak:m/z	Relative Intensity
53.03949	1.8
55.01874	1.7
55.05516	7.1
57.07064	4.6
59.05010	1.5
67.05505	10.9
69.03422	2.4
69.07069	11.6
70.01460	3.5
70.01855	2.0
71.04992	32.8
71.34297	1.1
79.05496	7.3
81.07055	24.7
83.04984	8.2
83.08613	8.8
85.06524	5.9
91.05471	5.7
93.07047	17.6
95.04965	2.8
95.08025	1.9
95.08607	29.8
96.80900	1.0
97.06530	9.2
97.10181	2.8
98.23236	1.5
99.04452	15.5
101.06044	3.1
101.27055	0.9
105.07027	12.7
107.04951	1.1
107.08591	16.1
109.06508	5.8
109.10161	14.5
111.08090	5.8
113.09637	2.7
117.07037	2.0
117.77615	1.0
119.08590	13.9
121.10149	21.3
123.08073	10.5
123.11700	9.9
125.09650	1.8
131.08530	3.3
133.10121	6.5
135.08061	2.0
135.11684	8.5
137.09612	2.9
137.13228	3.1
139.11162	9.7
145.10132	5.2
147.11618	1.3
149.02296	2.2
149.09612	7.3
149.13167	4.9
150.10391	3.6
151.11174	36.5
151.14839	2.8
152.11435	0.9
153.05530	1.1
159.11693	10.0
161.13249	17.9
163.11131	5.6
163.14725	1.2
164.72900	1.1
167.10666	9.2
167.14322	17.0
173.13266	2.1
175.14766	2.2
177.12663	1.9
177.16408	3.2
179.14310	100.0
180.14633	2.2
181.12236	2.8
191.14304	3.4
191.18027	1.1
195.11761	1.4
201.16418	8.5
209.11664	2.6
209.13498	1.1
209.15372	3.5
219.10089	2.8
219.17436	8.9
237.07356	1.6
237.09254	1.9
237.11163	2.2
237.14838	48.4
237.18507	31.9
238.15230	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1849
Annotation	Sirenin
Peak:m/z	Relative Intensity
50.75395	2.0
53.13922	1.9
55.01864	2.6
55.05506	8.7
57.07082	2.5
59.04986	3.2
61.02931	3.7
65.03980	2.1
67.05505	15.3
68.16463	1.8
69.03421	2.1
69.07069	14.0
69.62321	6.8
69.62726	4.0
71.04620	2.6
71.04985	18.7
79.05498	9.3
81.07068	20.8
83.04990	2.4
83.08588	4.9
85.06543	74.5
85.90303	2.1
91.04942	1.7
91.05476	10.8
93.07058	18.9
95.04963	4.3
95.08607	32.0
97.06499	8.7
102.87564	1.9
105.07031	35.4
106.07364	2.5
107.08584	20.3
109.06512	2.8
109.10153	10.0
111.08086	4.3
113.09605	2.2
117.07017	5.8
118.15760	1.8
119.08583	32.8
121.10141	19.7
123.08080	3.4
123.11657	4.1
125.09623	12.3
131.08562	13.8
133.10123	14.9
135.08061	2.5
135.11690	14.9
139.11226	3.5
144.09377	3.7
145.06523	2.7
145.10104	10.0
147.11716	2.9
149.02373	19.5
149.03456	2.8
149.09607	4.8
149.13248	5.8
151.11234	1.9
151.14833	1.9
159.11688	100.0
160.12100	2.7
161.13251	32.3
163.07364	2.0
163.11102	2.2
165.07016	3.7
167.10675	7.7
173.13293	6.1
175.14796	12.2
177.12782	9.3
177.16350	15.1
178.30089	1.7
179.14314	2.7
180.41043	1.7
185.50899	1.7
191.14294	9.1
193.04933	15.0
201.16371	63.0
202.16565	2.5
204.09503	1.6
207.11710	2.5
219.10162	2.6
219.13905	2.7
219.17455	35.6
237.07402	15.0
237.11209	3.6
237.14752	30.6
237.18484	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	237.1848
Annotation	Sirenin
Peak:m/z	Relative Intensity
55.05512	8.5
57.07074	4.2
57.22224	1.4
67.05497	8.9
69.03415	1.5
69.07062	9.7
69.17320	14.2
71.04586	2.8
71.04987	53.3
79.05485	7.7
81.03376	1.6
81.07053	20.2
83.04980	6.5
83.08620	5.8
85.06548	5.8
89.06036	6.7
91.05489	5.7
93.07044	15.0
95.04979	3.1
95.08602	21.5
97.06548	3.5
99.04456	11.1
101.06035	3.4
102.97984	1.5
105.07027	13.8
107.08580	17.5
109.06528	6.7
109.10160	13.0
111.04437	2.8
111.08093	3.6
117.06947	2.7
119.08568	14.6
121.10134	17.9
123.08052	10.3
123.11703	8.8
127.11203	4.9
131.08568	3.4
133.10152	6.9
135.11679	7.5
137.09700	2.5
137.13214	3.2
145.10138	7.8
147.11687	11.7
149.09650	3.9
149.13251	14.1
151.11169	34.8
151.14838	2.2
153.09064	2.5
159.11719	12.3
161.13269	17.3
163.11218	5.4
167.10623	2.5
167.14294	16.1
173.13295	1.8
177.12770	3.1
177.16434	2.4
179.14299	100.0
180.14641	2.0
181.12216	3.9
191.18097	2.6
201.16406	7.7
209.11717	3.6
219.17436	24.7
237.14673	7.8
237.18472	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	237.1847
Annotation	Godotol A
Peak:m/z	Relative Intensity
51.73846	2.0
53.03959	2.5
53.09956	1.7
55.01880	3.4
55.05509	9.2
57.03447	1.7
57.07074	7.7
59.05005	7.2
59.51542	1.9
61.02914	1.9
67.05500	13.5
69.07061	11.2
71.04989	11.1
71.08623	3.7
71.33072	2.3
79.05491	17.1
79.92572	2.2
81.07051	41.7
83.04983	7.9
83.08636	4.8
85.06548	8.3
91.05478	13.4
93.07037	40.1
95.04940	2.6
95.08608	28.2
97.06497	12.0
97.10176	2.4
99.08102	2.1
105.07019	31.5
107.04968	2.4
107.08580	21.9
109.02906	3.2
109.06503	5.4
109.10147	18.1
111.04459	6.6
111.08054	8.9
112.99903	1.8
113.06016	2.0
117.07059	4.1
118.06602	1.9
119.08569	42.5
119.09386	2.5
121.06524	2.1
121.10135	100.0
123.08085	7.5
123.11683	5.0
125.06039	3.8
125.09644	10.0
131.07590	1.8
131.08580	7.1
133.10123	17.4
135.11691	8.6
137.09615	4.7
139.03842	2.5
139.11166	23.1
141.09116	2.2
145.10129	16.9
147.11713	3.2
149.09602	3.6
149.13264	5.8
153.05472	6.5
159.11670	27.3
161.13246	56.0
163.11205	5.8
163.14793	2.3
165.07146	1.9
173.13281	8.2
175.14757	4.2
177.12733	2.6
177.16368	17.5
179.14322	3.7
181.10439	3.3
181.12248	3.1
187.66907	1.8
191.10609	5.3
191.14296	6.0
192.06569	3.9
201.16367	31.6
207.11694	2.4
209.11699	19.6
219.17410	20.7
222.73608	1.8
237.08873	5.8
237.11058	2.9
237.14552	3.4
237.16432	5.7
237.18513	17.0
241.11163	1.9
251.40286	1.9
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	Sirenin
Peak:m/z	Relative Intensity
53.03950	0.5
53.62602	0.4
54.07405	0.4
55.01898	0.5
55.05502	1.8
57.03429	1.0
57.07077	0.7
61.02923	0.6
67.05510	3.6
69.03424	2.3
69.07061	2.2
69.21138	3.7
71.04998	5.0
79.05492	6.9
81.03426	0.7
81.07063	8.1
83.04981	0.6
83.08613	1.0
85.02911	6.6
89.03695	0.4
91.05484	4.8
93.07046	13.8
95.04974	1.5
95.08604	5.5
97.02874	1.7
97.06538	1.7
99.08080	2.3
103.05478	0.9
105.07034	12.0
107.04939	0.9
107.08596	27.0
109.02872	0.7
109.06506	2.2
109.10154	8.5
111.08074	1.4
113.09580	0.5
115.05444	0.5
117.06992	1.8
119.06120	0.5
119.08580	3.9
121.06509	2.4
121.10145	4.1
123.08064	2.2
123.11678	2.8
124.08305	0.5
125.09626	1.3
127.03893	1.0
127.11183	0.9
129.06897	0.4
131.04913	0.5
131.08551	1.9
133.10129	10.3
135.08061	2.7
135.11703	2.0
137.05945	0.6
137.09601	0.6
139.11168	3.9
143.16057	0.5
145.04929	1.3
145.10149	4.1
147.04486	0.4
147.11699	2.6
149.05951	0.6
149.09639	1.4
149.13248	1.5
151.11180	100.0
152.11493	2.2
159.11705	6.0
161.13231	1.7
163.07567	0.7
163.11194	2.4
163.14812	2.9
165.12679	0.7
167.06987	0.5
173.13263	1.3
175.14809	0.6
177.05513	0.7
177.12788	1.5
191.03380	0.8
191.14291	0.9
191.17963	1.1
201.16383	3.8
219.10075	0.5
219.13730	0.4
219.17436	10.7
237.07567	0.6
237.11282	0.5
237.14766	2.3
237.18468	5.8
238.15175	0.5
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	3,7,11-Trimethyl-1,4,6,10-dodecatetraene-3,8-diol
Peak:m/z	Relative Intensity
52.53423	1.4
53.03947	2.9
55.05512	71.8
55.24083	1.3
55.59999	1.3
57.03431	2.4
57.07074	3.2
59.04992	3.1
67.05505	11.7
69.03434	2.4
69.07066	9.9
69.24478	8.8
71.04997	29.9
73.45937	1.5
79.05487	8.7
81.07059	31.3
83.04982	100.0
83.08627	2.8
85.06532	2.0
90.73690	1.4
91.05480	12.2
93.07054	20.3
95.04967	8.6
95.08602	19.1
97.06530	17.8
99.08094	4.4
103.05473	3.3
105.07027	25.7
107.08588	21.7
109.06528	6.6
109.10165	29.4
111.08089	14.7
117.07021	4.8
119.08578	11.3
121.10143	37.6
123.08062	5.6
123.11723	18.6
125.09626	4.3
127.11193	8.9
129.07053	1.6
131.08588	11.2
133.10130	61.5
135.08067	2.0
135.11700	7.5
137.06009	2.7
137.09647	4.1
137.13274	1.5
139.11185	29.2
145.10121	9.7
147.11679	13.9
149.09613	5.7
149.13245	12.0
151.11185	45.7
153.12744	7.8
159.08061	5.4
159.11679	20.5
159.12793	2.2
161.13269	4.8
163.11221	6.2
165.12833	1.8
167.14401	1.8
173.13310	1.4
177.12766	5.3
177.16481	1.9
191.10683	2.7
191.18007	2.6
201.16359	12.9
219.17468	24.3
226.00043	1.4
237.11327	2.2
237.14902	2.3
237.18472	45.8
238.18857	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1847
Annotation	Sirenin
Peak:m/z	Relative Intensity
53.03945	2.9
55.05508	11.7
57.03442	4.5
57.07071	3.7
59.04996	6.2
60.51059	2.4
62.57401	2.4
67.05494	15.9
69.03431	17.9
69.07059	8.7
69.70609	5.4
69.71000	5.6
71.04993	38.4
79.05497	25.9
81.07056	100.0
81.62985	2.4
83.08615	2.6
85.06535	6.1
86.11349	2.4
91.05489	8.2
93.07042	25.5
95.04978	6.4
95.08606	15.8
97.06505	5.9
97.10165	5.0
98.23335	3.4
99.08086	47.6
105.07032	27.8
107.08584	25.8
107.91933	2.6
109.06521	20.6
109.10154	28.9
116.59560	2.4
116.96181	2.5
119.08595	10.1
121.10154	13.9
123.08066	6.6
123.11713	13.0
125.09655	8.0
127.07555	23.8
127.11175	33.0
131.08656	3.4
133.10121	47.9
135.11707	8.9
139.11200	5.2
143.10666	6.2
145.10098	15.1
147.11700	10.3
149.13258	8.3
151.11180	56.3
155.10715	9.2
159.11702	6.0
161.13252	5.4
169.12282	6.7
191.17903	3.7
201.16476	5.5
219.17389	12.0
235.38696	2.5
237.18427	17.8
242.53894	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	237.1848
Annotation	Sirenin
Peak:m/z	Relative Intensity
53.03944	4.3
55.01864	4.2
55.05510	11.6
56.05003	1.7
57.03433	2.8
57.07072	4.5
59.04997	6.7
61.03839	1.5
65.03939	2.2
67.05507	19.3
69.03423	16.2
69.07070	10.3
70.06590	1.6
71.04988	31.5
71.32181	2.0
73.06521	1.8
79.05492	28.1
81.07053	100.0
83.04984	3.3
83.08616	4.6
85.06544	6.3
86.60630	1.7
91.05473	13.2
93.07040	27.7
95.04966	8.0
95.08600	20.0
97.06538	9.8
97.10158	2.9
97.73411	1.5
98.09678	13.1
99.08094	47.9
99.08717	3.1
103.05447	2.0
104.07090	1.8
105.07015	26.3
107.04966	1.7
107.08586	26.8
109.06517	21.6
109.10151	32.2
111.08081	3.9
114.09172	2.1
117.06998	5.7
119.08576	14.4
121.06516	5.0
121.10132	15.7
123.08068	6.2
123.11696	13.8
124.89707	1.4
125.09603	8.6
127.07545	23.8
127.11184	28.2
131.08536	7.4
133.06506	3.0
133.10123	44.4
135.04355	2.0
135.08063	2.4
135.11690	10.2
137.09627	3.3
139.11200	3.0
143.10666	8.0
145.10107	17.2
147.04485	1.9
147.11685	10.5
149.06000	2.9
149.09615	2.7
149.13222	8.4
151.03902	2.7
151.07584	3.1
151.11179	53.3
152.11433	2.3
152.87279	1.5
155.10632	11.7
156.13826	25.4
159.08070	2.7
159.11659	10.4
161.05864	1.9
161.13255	8.9
163.07535	1.9
163.11194	5.0
165.12759	3.2
169.12233	3.4
173.13268	2.9
175.14935	3.0
177.09035	1.6
177.12737	3.3
177.16418	1.7
180.07823	4.1
191.03281	1.6
191.10513	1.6
191.14397	1.9
191.17996	3.4
192.06419	1.9
193.08597	2.3
201.16377	8.5
207.06465	2.5
219.10085	2.5
219.13951	1.7
219.17400	14.4
237.05589	2.0
237.07378	2.7
237.09177	2.6
237.10968	9.5
237.14767	3.8
237.18481	20.2
238.12111	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	237.1849
Annotation	Sirenin
Peak:m/z	Relative Intensity
53.03926	3.5
55.05510	13.2
57.03416	2.1
57.07076	3.2
59.04984	6.7
67.05505	21.6
69.03402	5.8
69.07066	17.8
69.57558	10.3
71.04990	44.3
79.05486	10.8
81.07057	100.0
83.04980	6.7
83.08608	10.2
85.06540	8.0
91.05493	15.5
93.07043	83.9
95.04956	8.2
95.08601	52.1
96.08973	2.5
97.06538	6.1
97.10164	3.4
98.23388	2.6
99.04443	15.4
99.08082	7.7
100.17445	1.9
101.06016	3.5
105.07039	27.4
107.08589	34.6
109.06479	10.9
109.10151	28.5
111.08088	6.1
113.05987	12.0
115.07587	2.4
115.40284	1.9
119.08574	24.3
121.10143	21.6
123.08086	12.2
123.11705	58.7
125.09657	5.6
125.75433	1.9
127.07584	2.8
127.11205	9.0
131.08565	8.0
133.10118	37.8
135.07967	2.5
135.11670	14.6
137.09589	2.8
137.13177	4.0
139.11171	2.1
145.10065	9.3
147.11745	10.1
149.13206	9.0
151.11180	65.7
155.10652	3.0
159.11717	16.6
161.13231	18.1
163.11185	5.9
163.14766	2.3
165.12767	2.6
167.10640	5.4
167.14326	13.3
173.13261	5.7
175.14790	4.9
177.16402	3.8
179.14297	83.7
181.12303	2.1
183.24854	2.0
191.14188	2.8
191.17958	5.4
201.16322	11.6
219.17430	26.0
237.14868	3.6
237.18491	55.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1849
Annotation	(+)-Curcudiol
Peak:m/z	Relative Intensity
53.03954	0.9
55.01858	0.9
55.05509	4.7
57.03428	0.8
57.07060	1.4
59.05011	0.6
63.97371	0.4
67.05164	0.6
67.05504	9.2
69.03415	1.7
69.07061	5.8
69.52359	2.7
71.04979	1.3
73.06547	0.5
79.05499	4.4
81.07053	14.1
81.07506	1.0
83.04981	3.2
83.08602	2.0
85.02895	1.5
85.06543	1.0
91.05473	4.7
93.07043	8.2
95.04939	2.3
95.08607	9.0
95.94206	0.4
97.06522	3.5
97.10179	1.1
99.08105	0.6
103.05447	1.1
105.07025	4.9
107.04949	1.1
107.08601	8.3
107.26138	0.5
109.06516	6.4
109.09414	1.0
109.10152	13.1
111.04436	0.5
111.08092	3.1
113.05969	0.5
115.05457	2.3
117.07022	7.5
119.08559	3.5
121.06494	3.8
121.10154	5.6
123.08063	6.0
123.11708	11.0
125.09615	1.1
129.06993	0.5
131.08531	2.8
133.10104	2.9
135.04402	0.6
135.08047	10.1
135.11676	5.3
137.05978	0.6
137.09607	2.3
139.11168	1.2
144.05653	0.7
145.06471	1.9
145.10132	5.1
147.08075	1.0
147.11681	2.7
149.05946	0.7
149.09633	4.8
149.13239	1.5
151.11176	1.7
153.05539	0.8
157.10100	0.5
159.08046	2.3
159.11668	3.1
161.09605	1.3
161.13268	1.8
162.06781	0.6
163.07532	0.5
163.11179	10.9
163.14844	0.6
165.07021	0.5
173.05940	0.6
173.13237	1.0
175.11111	0.9
175.14801	1.2
176.11952	0.8
177.09123	7.5
177.12721	3.7
177.16350	0.7
181.06593	0.6
187.07549	2.3
189.12798	0.6
191.10643	0.8
191.14256	1.1
191.17944	0.6
193.05035	0.6
195.11713	0.7
201.16367	1.8
204.15167	0.8
205.08591	3.1
209.09544	0.6
219.10181	1.9
219.17435	100.0
220.17743	3.9
237.05521	0.9
237.07559	1.7
237.11150	1.5
237.14682	4.1
237.18443	13.4
238.18771	0.9
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	3,7,11-Trimethyl-1,4,6,10-dodecatetraene-3,8-diol
Peak:m/z	Relative Intensity
51.68370	2.7
53.03938	3.9
55.01857	3.5
55.05259	5.8
55.05512	74.8
57.07083	6.7
59.05000	6.3
61.71834	2.7
67.05515	22.1
69.03438	12.0
69.07087	16.2
69.30614	23.1
71.04993	41.0
76.52448	3.0
79.05473	17.0
81.07059	56.7
83.04983	100.0
83.08620	7.0
85.06538	4.7
91.05487	18.8
93.07039	32.0
95.04976	11.1
95.08602	36.1
97.06532	20.4
99.08105	10.6
103.05483	5.8
105.07031	51.1
107.08614	35.2
109.06501	14.6
109.10158	44.0
111.08088	13.2
111.63233	2.8
115.05447	3.2
117.07034	6.7
119.08568	18.2
121.06524	6.5
121.10148	46.4
123.08087	7.6
123.11720	25.7
124.56594	2.9
125.09676	4.7
127.07579	4.3
127.11205	19.6
131.04935	6.7
131.08554	25.0
133.10138	69.9
134.10429	4.0
135.08046	5.2
135.11665	15.7
137.09644	5.3
139.11172	31.7
139.11987	2.8
140.11469	3.0
145.06500	3.4
145.10118	17.4
147.11673	15.3
149.09627	7.9
149.13263	16.2
149.36887	3.1
151.11188	69.2
152.11554	3.5
153.05511	4.6
153.06987	3.6
153.12755	9.1
159.08069	13.7
159.11658	22.5
161.13274	8.3
163.07555	7.8
163.11212	6.5
163.14792	3.7
165.07036	5.6
165.12764	3.3
166.07933	5.5
175.07581	3.4
177.05528	7.9
177.09186	5.0
177.12793	5.8
179.14262	4.6
180.08812	3.2
181.06552	6.1
191.07074	9.4
191.08774	3.6
191.10703	11.0
191.17947	5.4
194.07304	3.2
201.16443	15.1
209.06065	4.5
209.09712	6.9
210.06598	4.1
213.83394	2.7
219.10239	11.9
219.13794	4.4
219.17436	34.4
222.06818	4.5
237.05710	24.1
237.08862	26.8
237.11287	10.6
237.14809	12.2
237.18491	49.2
238.06299	5.1
254.36250	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	237.2212
Annotation	Bombykal
Peak:m/z	Relative Intensity
53.03948	4.0
53.37457	3.8
55.01863	4.2
55.05250	4.3
55.05510	84.1
57.03441	5.3
57.07074	42.7
67.05502	86.9
69.07067	98.2
69.36691	2.3
69.37004	20.1
71.04995	2.9
71.08626	17.3
79.05491	53.7
81.03417	4.5
81.07054	100.0
83.04984	8.4
83.08614	98.4
85.06544	6.2
91.05490	10.0
93.07047	62.7
93.43485	2.5
95.04947	3.1
95.08601	80.1
97.06535	30.3
97.09580	4.1
97.10174	45.0
99.08069	3.6
100.20966	2.6
105.07045	5.4
107.04959	2.7
107.08585	42.0
109.02879	3.2
109.06458	3.4
109.10153	30.6
111.04448	10.2
111.08069	22.0
111.11710	7.5
111.12411	2.7
115.11198	5.1
119.08491	3.3
121.10144	94.7
123.11687	25.8
125.09641	11.1
127.11185	5.8
131.08566	3.2
135.11685	71.6
137.06096	3.4
137.13235	17.7
139.11159	5.7
141.12769	3.7
149.13281	27.2
153.05453	7.3
161.05948	3.1
163.11139	4.8
163.14816	10.9
177.16414	7.1
181.04976	4.6
191.10693	9.4
191.14439	3.4
192.06470	3.1
195.10149	3.5
195.11697	3.8
207.11745	3.1
209.11717	22.1
219.21063	56.4
237.11201	4.2
237.16449	8.9
237.18524	5.8
237.22093	87.5
238.18178	3.5
238.22549	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	239.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.0
55.05512	1.9
67.05511	4.1
68.99799	2.6
69.03448	2.1
69.07018	1.6
71.04997	20.5
71.12077	1.9
79.05489	2.5
81.07061	2.6
83.04979	2.2
85.06600	1.7
91.05482	4.2
93.07056	3.6
93.68546	1.3
95.04973	3.9
95.08605	3.2
96.43810	1.5
97.06554	2.2
105.07027	13.0
107.04942	1.7
107.08594	3.3
109.06556	3.0
109.10150	1.6
111.04401	1.6
115.94066	1.3
119.08605	5.8
121.06512	3.1
121.10182	2.3
123.03532	3.7
123.04433	72.9
123.08066	5.0
124.04724	1.9
129.07014	4.8
133.06493	11.3
133.10143	1.9
135.08057	4.6
137.05986	23.8
137.09599	1.5
147.08086	6.5
150.06703	2.4
151.03938	11.2
151.07535	15.3
160.05199	7.6
161.05925	2.8
163.07573	4.7
165.09135	22.0
167.07114	1.5
175.07573	29.9
175.09085	1.6
177.05450	4.7
177.09012	1.9
178.06244	21.8
178.07779	2.1
179.07071	6.2
193.08611	100.0
194.08951	4.5
195.10217	1.4
203.07040	12.7
205.51775	1.4
221.08087	70.4
239.09029	4.3
239.16505	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	239.0913
Annotation	Sporovexin A
Peak:m/z	Relative Intensity
52.47562	1.1
53.38332	1.3
67.05504	2.2
68.99784	1.7
69.03441	1.5
71.04990	16.3
91.05484	1.7
93.07027	1.4
95.04972	2.0
95.08580	2.3
105.07027	5.5
107.04936	2.3
107.08642	1.2
109.06509	1.3
119.08589	3.2
122.39391	1.3
123.04432	67.3
123.08082	3.7
129.06999	5.4
133.06502	2.3
135.08038	3.4
137.05965	19.7
147.08049	6.2
149.06004	1.5
150.06776	1.6
151.03920	8.7
151.07532	9.7
157.06422	2.9
160.05186	8.0
161.05966	2.6
163.03952	2.4
163.07564	4.6
165.05504	3.2
165.09142	8.2
166.06177	1.4
175.07541	29.9
176.07764	1.3
177.05502	3.2
177.09135	1.8
178.06241	22.1
179.07005	5.0
193.08601	100.0
194.08952	2.4
203.07031	10.5
221.08089	71.8
222.08363	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.1
55.01879	3.5
57.03432	8.0
59.04986	4.5
61.02929	11.6
69.03438	16.9
70.06590	5.7
71.17058	5.0
73.02900	2.7
81.03426	8.1
85.02905	100.0
91.03944	5.3
97.02888	20.9
97.07647	11.5
98.97618	7.7
99.04473	4.5
109.02881	6.2
115.02468	3.4
116.98639	4.9
119.01900	5.1
127.03915	23.4
131.01962	3.2
136.06174	6.0
145.04953	20.0
150.05577	3.8
150.44560	2.7
155.06677	4.2
160.19531	2.7
160.72348	2.6
172.54031	2.6
173.07773	6.2
180.02425	2.7
197.07707	27.9
215.00436	7.8
215.08789	23.5
219.07796	2.8
233.01474	3.5
240.08670	3.9
240.10976	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	239.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00484	0.9
53.00303	1.1
53.03956	2.0
55.01861	5.4
55.05511	1.3
57.03433	6.5
62.85817	1.1
65.03945	1.7
67.05486	2.5
69.07040	1.2
71.04979	1.5
72.67978	1.2
75.55494	1.0
78.04704	4.0
79.05488	13.1
81.07052	1.8
83.04982	1.2
89.06036	3.6
91.05476	26.4
93.07038	3.8
93.59335	1.0
94.04191	2.8
95.04966	5.7
95.08593	1.8
103.05464	25.9
104.06266	6.8
105.03384	1.3
105.06322	2.4
105.07030	41.9
106.04202	4.7
107.04951	75.3
107.08589	2.0
108.05251	1.7
109.06500	1.9
109.10249	1.2
115.05444	20.1
116.06267	2.3
117.07012	19.6
119.04943	3.8
119.08585	3.5
120.05731	2.9
121.05677	0.7
121.06490	19.6
121.07296	1.8
122.03644	4.1
122.07291	1.4
123.04423	14.3
123.07963	1.0
124.05232	4.8
125.05982	1.2
128.06229	6.4
129.06978	2.9
131.04929	13.6
131.08571	2.8
132.05721	8.6
133.06482	33.6
133.08624	1.9
133.10138	2.3
135.04399	24.7
135.08038	17.9
136.05197	19.2
137.05969	80.4
138.06760	17.2
143.08548	4.9
144.05672	1.7
145.06491	9.4
145.07550	1.8
145.10097	2.3
146.07263	5.0
147.04442	3.1
147.08031	14.6
148.08804	7.0
149.05984	12.4
149.09621	3.9
150.06787	3.7
151.07535	7.7
159.04370	2.1
159.08035	4.8
160.05197	5.2
160.08884	2.9
161.06003	7.1
161.09607	9.6
162.06772	8.9
163.07536	100.0
164.08263	6.7
165.05446	1.6
165.09108	28.7
167.07007	1.9
171.08054	4.4
172.08806	1.9
173.09647	2.1
174.06731	2.5
175.07539	85.4
175.11090	12.8
176.07903	2.4
177.09103	3.9
179.03513	1.2
179.07024	13.4
179.10623	2.1
180.07796	20.8
181.08589	13.4
182.09380	22.8
188.08368	3.7
189.09163	1.4
191.10695	5.8
193.08580	16.9
194.09428	2.4
203.10669	20.4
209.11707	11.2
221.08160	3.0
221.11652	8.3
224.10458	13.7
239.08922	13.7
239.12796	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	239.1277
Annotation	Stachyline D
Peak:m/z	Relative Intensity
56.36650	3.1
61.60588	3.9
67.05501	10.4
69.05103	31.9
71.04990	9.5
79.05470	8.6
80.39556	3.4
81.07045	6.9
83.04956	4.1
85.02909	5.6
91.05495	14.2
93.07087	6.1
95.04989	4.0
95.08598	7.7
97.06567	3.9
98.23344	7.5
105.07026	15.9
107.04949	18.6
107.08617	5.1
109.06538	9.3
109.10171	6.7
110.46168	3.5
111.08126	6.0
113.06091	3.8
115.05447	5.7
117.06996	8.4
119.08581	12.7
121.06493	4.6
123.08117	6.6
129.07013	5.1
131.08568	4.6
133.06487	9.8
133.10132	14.3
135.08061	14.3
137.05980	11.1
142.07770	33.8
145.10172	4.7
147.08160	3.9
147.11691	7.4
149.09595	5.2
151.03949	4.1
153.05473	10.1
154.86232	3.5
157.10112	64.0
161.06056	3.9
161.09659	4.7
163.07559	12.8
165.07001	4.6
165.09085	5.5
168.05666	3.7
175.07661	6.9
175.11176	84.3
179.07027	5.0
179.10657	8.7
181.04865	3.9
193.08604	6.8
193.12253	43.0
196.05214	4.5
197.08083	3.9
203.10753	6.4
209.09840	3.7
209.11783	3.9
221.11661	23.1
239.06911	5.9
239.08875	100.0
239.12737	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	239.1277
Annotation	Agglomerone
Peak:m/z	Relative Intensity
52.03183	0.2
53.03956	0.8
55.01882	0.7
55.05513	0.2
57.03437	0.6
57.07055	0.2
59.05005	0.9
65.03949	1.4
65.04239	0.2
67.05506	2.3
69.03419	0.4
69.07071	5.2
69.83904	0.7
69.84313	0.5
71.04990	0.5
73.06530	0.3
79.05503	0.6
81.07057	1.0
85.02925	0.3
85.06538	0.3
87.08130	0.9
91.05497	0.7
93.03445	0.3
93.07051	1.0
95.04961	1.2
95.08595	1.0
97.06512	1.1
99.08120	0.3
105.07047	0.7
107.08599	0.8
108.02097	1.7
109.10170	1.0
111.04472	0.5
111.08070	0.2
112.01569	0.4
115.06744	0.4
115.07571	8.5
119.08580	0.4
121.06503	0.4
121.10164	0.3
122.03609	0.3
123.04440	0.7
123.11745	0.4
125.06007	1.2
133.10161	0.6
135.08063	0.3
135.11696	0.5
136.01547	0.7
137.05980	6.5
137.09584	0.3
141.05449	2.2
143.08589	0.9
145.06433	0.3
147.04404	2.3
147.11708	0.3
147.50752	0.2
151.03911	100.0
151.05000	9.2
152.04234	1.8
161.09709	0.3
171.08023	0.8
177.09082	0.3
179.07005	0.5
179.08469	0.3
179.10616	0.3
181.06491	0.3
188.08302	0.6
193.08588	0.9
196.08791	0.5
203.10648	1.0
203.18155	0.3
211.07457	0.3
216.00557	0.2
221.11723	35.2
222.12068	1.1
224.08250	0.3
227.67192	0.2
239.06940	0.3
239.10654	0.7
239.12767	5.9
239.20119	0.3
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	Unknow
Peak:m/z	Relative Intensity
51.23304	1.8
55.01880	1.9
55.05523	8.2
57.60735	1.5
67.05502	7.2
69.03427	5.4
69.07069	3.1
69.58062	10.0
71.04987	4.8
79.05497	11.2
81.07064	13.2
83.04986	4.5
83.08617	2.5
85.02903	2.0
91.05486	15.2
93.07048	36.7
95.04975	2.5
95.08607	12.0
98.23351	1.6
99.04445	1.7
105.07040	27.4
107.04944	4.0
107.08604	26.7
108.05733	3.0
109.06528	4.8
109.10170	5.1
115.05468	3.5
117.07118	2.3
119.04985	2.6
119.08578	12.4
121.06495	7.6
121.09266	3.5
121.10149	72.1
122.07347	2.0
123.08073	100.0
123.11679	2.2
124.08409	2.8
125.09612	4.6
131.08560	7.1
133.06537	2.0
133.07599	3.4
133.10126	8.8
135.08057	25.7
135.11652	3.4
137.02379	2.8
137.05962	3.1
137.09605	2.9
145.10123	2.3
147.08076	2.6
147.11673	9.2
149.05962	2.1
149.09630	68.8
150.09964	2.5
151.03929	3.5
151.07593	2.6
151.11188	20.3
161.09596	3.3
161.10771	3.3
165.05460	2.7
167.10712	2.3
175.11137	12.4
177.09131	13.3
179.03401	1.8
179.07051	3.3
179.10649	3.9
183.07993	2.0
193.06833	1.8
193.08640	2.4
193.12177	2.6
195.10178	45.9
196.10542	2.2
196.16986	20.8
203.10736	2.8
203.17932	1.8
211.07683	2.5
221.08099	4.1
221.11714	5.0
221.19109	1.7
239.07076	2.7
239.09032	4.1
239.12674	2.4
239.16365	2.0
240.19611	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	239.2005
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
53.03942	4.3
55.05509	30.8
57.03422	4.6
57.07077	15.7
59.04998	21.3
67.05497	27.3
68.87782	3.2
69.03430	3.3
69.07067	45.6
69.99127	7.8
71.04987	15.1
71.08607	3.3
79.05482	14.9
81.07056	82.3
83.04943	3.2
83.08617	20.6
85.06540	20.0
91.05511	10.8
93.07040	38.9
95.08605	100.0
95.67722	2.6
97.06538	13.8
97.10183	13.7
99.08089	12.1
105.07019	24.2
107.08591	56.0
107.09261	5.2
109.06558	4.4
109.10162	50.1
111.08080	12.5
111.11723	13.1
119.08572	31.1
121.10133	44.4
123.04452	4.3
123.08040	3.4
123.11704	33.6
125.09633	10.2
127.11192	4.1
133.10121	29.2
135.11679	32.2
137.09619	3.0
137.13246	73.5
139.11157	17.3
147.11685	35.5
149.13254	17.7
151.11182	9.4
155.08594	5.6
159.68694	2.9
161.13255	15.8
163.14792	29.6
165.12779	10.6
169.10194	4.5
175.14836	10.2
177.16393	10.5
179.08763	3.0
179.14255	4.3
183.11664	4.1
193.19652	4.3
197.13194	3.4
203.17958	56.2
205.56190	3.2
215.65677	3.0
221.11618	4.5
221.19008	56.1
221.21126	2.9
224.08426	3.6
239.10732	8.2
239.16156	5.4
239.18068	5.8
239.20058	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2004
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
53.03949	2.0
55.05505	27.9
57.03447	5.4
57.07078	23.2
59.05000	31.2
65.03933	2.2
67.05513	20.2
69.07069	37.8
70.49113	6.2
71.04990	7.7
71.08638	5.3
79.05490	10.9
79.51025	2.2
80.76063	1.9
81.07056	80.3
82.07410	2.2
83.04998	3.4
83.08616	20.8
85.06551	7.0
91.05497	8.4
93.07041	30.7
95.04940	2.6
95.08605	95.0
97.06526	12.1
97.10170	14.6
99.08114	5.1
105.07030	15.3
107.08594	45.4
109.06532	4.6
109.10155	44.9
111.08070	9.7
111.11715	13.6
115.07529	4.2
119.08582	24.5
121.10152	31.2
123.08101	6.0
123.11701	36.3
124.16619	2.0
125.09657	8.1
127.11209	2.4
133.10133	31.1
135.11685	32.4
137.09665	5.5
137.13254	100.0
138.13632	4.1
139.11163	19.8
143.10692	6.6
147.11697	27.3
149.13266	17.2
151.11182	8.7
151.14839	3.6
153.12794	4.8
157.12253	3.5
161.13223	15.7
163.14825	32.3
165.12775	7.8
175.14833	4.0
177.16431	9.0
179.14314	3.2
190.58592	2.1
193.19505	5.2
203.17961	57.7
204.18358	2.7
221.11780	2.9
221.18994	66.0
222.19041	2.2
239.17870	2.1
239.20084	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.987
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98647	0.3
55.05505	0.4
56.96563	12.9
58.06601	2.1
69.03398	0.2
70.06594	0.5
70.23226	0.9
71.95262	3.5
81.03423	0.3
84.08137	1.3
85.02900	0.3
93.64521	0.2
97.02885	0.3
97.07642	0.4
98.97578	100.0
99.97940	0.5
103.68201	0.2
116.98617	50.6
117.98981	0.3
119.01921	0.4
128.10718	0.4
134.05989	0.9
134.99646	15.1
136.07588	0.8
138.05298	0.3
138.10828	0.2
140.00200	0.8
143.01865	0.3
147.05757	0.6
147.06850	0.3
152.07062	0.4
153.00739	1.3
157.06346	0.2
158.01187	0.3
161.02901	0.4
163.08682	0.5
164.07059	14.7
165.07442	0.3
174.97609	0.5
181.09709	0.9
196.09712	0.7
198.97633	0.4
199.07433	1.4
216.98654	1.4
217.08418	1.7
219.01964	0.4
223.10686	0.9
234.99779	0.9
240.98631	1.8
241.11613	0.6
241.15451	11.4
242.15707	0.3
248.88928	0.2
258.99750	23.8
259.99991	1.1
261.02963	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.9
55.01860	4.8
55.05502	3.7
65.03923	2.1
67.05497	11.3
69.03429	7.3
71.04993	4.0
71.32426	3.0
74.88731	1.8
75.60356	1.9
75.92905	2.1
79.05476	19.8
81.03413	5.2
81.07057	4.9
83.04970	7.0
85.06537	24.3
90.55085	1.9
91.05475	50.6
93.03397	3.4
93.07036	12.5
95.04962	6.5
95.08651	3.0
97.02895	11.5
97.06526	3.2
98.97578	3.6
99.04449	4.0
103.05454	4.9
105.03355	2.1
105.07028	36.9
107.04961	3.4
107.08588	20.5
107.58926	2.2
109.06499	4.0
110.66991	1.9
111.04460	10.2
115.05454	15.6
116.06290	11.0
117.07009	100.0
118.94363	2.1
119.04928	2.6
119.08583	8.1
121.06510	3.3
121.10159	4.7
123.04393	4.5
125.02341	28.6
128.06219	4.7
129.07005	10.2
131.04936	2.5
131.08559	86.1
133.06505	9.7
133.10101	5.4
135.04398	3.2
135.08032	25.8
141.06946	3.9
143.08452	2.8
144.05756	2.5
145.06467	22.7
149.09608	4.9
151.03912	4.6
151.07503	4.3
159.08047	44.9
160.08366	2.1
161.05954	12.2
161.09610	4.3
163.07541	64.1
167.07086	5.1
173.53020	2.3
177.09114	35.4
178.06259	2.3
181.08594	7.8
182.58047	2.0
187.07524	13.8
205.08612	13.4
208.75647	2.1
213.05440	5.0
223.09549	6.9
241.04947	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	241.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.9
55.01860	4.8
55.05502	3.7
65.03923	2.1
67.05497	11.3
69.03429	7.3
71.04993	4.0
71.32426	3.0
74.88731	1.8
75.60356	1.9
75.92905	2.1
79.05476	19.8
81.03413	5.2
81.07057	4.9
83.04970	7.0
85.06537	24.3
90.55085	1.9
91.05475	50.6
93.03397	3.4
93.07036	12.5
95.04962	6.5
95.08651	3.0
97.02895	11.5
97.06526	3.2
98.97578	3.6
99.04449	4.0
103.05454	4.9
105.03355	2.1
105.07028	36.9
107.04961	3.4
107.08588	20.5
107.58926	2.2
109.06499	4.0
110.66991	1.9
111.04460	10.2
115.05454	15.6
116.06290	11.0
117.07009	100.0
118.94363	2.1
119.04928	2.6
119.08583	8.1
121.06510	3.3
121.10159	4.7
123.04393	4.5
125.02341	28.6
128.06219	4.7
129.07005	10.2
131.04936	2.5
131.08559	86.1
133.06505	9.7
133.10101	5.4
135.04398	3.2
135.08032	25.8
141.06946	3.9
143.08452	2.8
144.05756	2.5
145.06467	22.7
149.09608	4.9
151.03912	4.6
151.07503	4.3
159.08047	44.9
160.08366	2.1
161.05954	12.2
161.09610	4.3
163.07541	64.1
167.07086	5.1
173.53020	2.3
177.09114	35.4
178.06259	2.3
181.08594	7.8
182.58047	2.0
187.07524	13.8
205.08612	13.4
208.75647	2.1
213.05440	5.0
223.09549	6.9
241.04947	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	241.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	4.0
57.03448	0.5
57.07060	0.5
57.19407	0.4
59.04998	16.8
65.03983	0.5
67.05493	1.0
68.99795	0.8
69.03438	0.6
69.07066	2.5
71.04998	0.4
74.77426	0.4
79.05482	0.9
81.03433	0.4
81.07052	1.0
83.04976	12.2
83.11889	0.3
85.02381	0.7
85.02901	12.3
85.03400	0.8
87.49612	0.3
91.05479	10.4
91.52722	0.4
93.07039	1.5
95.08604	1.4
97.06528	5.7
97.09573	0.6
97.10168	10.2
98.97583	1.2
99.08090	21.2
100.08403	0.4
101.06013	1.4
105.07020	0.9
107.08600	1.0
109.10211	0.5
113.06020	0.7
116.98611	0.6
119.08549	0.5
121.10136	1.1
123.08067	2.3
125.05996	1.3
129.06952	0.6
131.08578	0.7
135.11720	0.5
137.09639	0.5
139.07545	1.0
139.11179	7.8
141.09097	6.2
143.07045	0.5
143.08524	0.5
145.10147	0.8
150.09187	0.6
153.12631	0.6
155.10657	0.6
156.86427	0.4
157.10234	0.4
159.11642	0.7
163.11171	2.7
166.07816	0.5
167.07014	0.5
181.12228	100.0
182.12560	2.5
183.10146	6.4
197.05942	0.4
199.13268	5.8
222.26949	0.4
223.13271	0.5
226.06229	0.6
241.04770	0.4
241.08485	1.6
241.14323	18.6
241.19440	1.2
242.15346	2.7
252.43114	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1545
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
56.19984	0.2
58.06598	18.2
61.36481	0.2
67.55841	0.2
70.06587	3.0
71.04978	0.2
71.10407	0.2
72.08144	0.4
78.86253	0.2
79.15876	0.2
81.03406	0.6
83.05000	0.2
83.08857	0.2
84.08138	9.3
84.08648	0.4
85.06552	0.2
97.07642	0.2
98.06023	0.4
98.09697	1.4
98.97581	1.6
100.11269	0.5
114.05536	0.3
116.07095	0.3
116.10776	0.3
116.98618	1.0
128.10713	3.8
144.10172	1.2
164.07054	1.3
168.10214	0.8
175.07408	0.3
196.09683	5.9
199.07396	1.4
213.15991	0.5
217.08504	1.1
241.15451	100.0
242.15790	2.9
258.99664	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73778	0.2
58.06597	19.1
70.06227	0.3
70.06585	3.4
70.73025	0.4
72.08150	0.4
81.03417	0.6
83.04992	0.2
84.08137	10.3
85.06540	0.2
88.60264	0.2
96.04482	0.3
98.06038	0.2
98.09692	1.3
100.11232	0.4
114.05534	0.6
116.07063	0.4
116.10728	0.2
126.05477	0.4
126.09147	0.3
128.10715	3.7
134.06004	0.2
144.10182	1.1
147.61200	0.2
158.08156	0.2
164.07057	0.6
168.10191	0.8
196.09677	6.2
197.09879	0.2
213.16005	0.4
241.15443	100.0
242.15756	2.4
242.28030	0.2
259.89420	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.216
Annotation	14-Hydroxy-12,13-dihydrosesquiterpineol
Peak:m/z	Relative Intensity
53.03952	3.1
55.01876	3.0
55.05509	45.9
57.03430	7.4
57.07073	18.2
62.21820	2.3
65.03944	3.5
67.05493	36.4
67.36197	2.8
69.03416	12.5
69.07063	79.3
69.12745	24.3
71.04991	24.5
71.08624	6.2
75.95136	2.3
79.05484	21.6
81.03402	6.1
81.07052	68.1
81.07501	5.1
83.04980	4.7
83.08613	45.8
85.02895	4.9
85.06537	88.3
85.10164	3.1
88.26296	2.7
88.31856	2.2
91.05473	78.5
93.07037	51.0
93.07590	3.1
94.88256	2.6
94.95898	2.6
95.05006	5.2
95.08602	100.0
95.09217	4.8
97.02883	9.1
97.06519	9.5
97.10165	29.6
99.04427	4.8
99.08074	26.9
105.07032	10.8
107.08582	80.4
109.06510	6.0
109.10143	74.2
110.03656	3.1
111.04417	4.3
111.08090	12.5
111.11743	6.6
113.09633	8.5
114.34601	2.7
119.08561	3.4
121.10133	86.4
121.10986	5.1
123.04412	4.4
123.08078	4.1
123.11694	67.2
125.06020	3.5
125.09634	8.4
131.08569	4.0
132.49251	2.9
135.04420	4.5
135.11678	43.6
137.13251	20.9
138.03145	5.7
139.14844	4.9
149.13246	51.7
150.09097	5.0
151.14772	2.7
152.06209	2.9
153.04237	3.9
153.05463	78.4
153.12738	7.5
153.75682	2.9
161.12999	2.8
163.11145	4.2
163.14835	21.2
165.07045	5.7
165.16403	7.6
166.07826	3.1
167.07089	6.3
167.14291	37.9
173.09616	3.3
177.16396	5.3
179.17990	6.5
181.06493	3.5
181.08734	3.3
181.10179	7.2
181.12291	3.0
181.15944	7.8
187.14922	2.7
191.10640	6.6
197.05981	5.3
198.06740	3.2
205.12457	2.8
205.19493	49.8
205.21294	3.5
213.09111	3.2
223.13332	5.3
223.20535	55.8
241.08705	16.9
241.12210	6.4
241.21617	46.1
242.09233	3.6
242.15395	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	241.2162
Annotation	14-Hydroxy-12,13-dihydrosesquiterpineol
Peak:m/z	Relative Intensity
53.03946	3.3
55.01870	2.1
55.05511	47.7
57.03438	5.1
57.07075	15.6
59.04985	1.9
65.03953	3.0
67.05509	40.0
67.35728	1.8
69.03431	5.2
69.07070	70.7
69.07452	3.4
69.09474	1.7
69.45992	2.6
69.46400	9.6
71.04995	26.3
71.08622	5.9
79.05497	17.6
81.07059	64.6
82.07371	1.9
83.05000	2.2
83.08623	40.4
83.94683	1.9
85.02914	4.8
85.06545	68.0
91.05484	29.7
93.07047	52.2
95.04973	5.1
95.08609	92.5
96.18945	1.7
97.02890	1.8
97.06535	6.7
97.10168	30.0
99.08080	16.8
105.07027	7.8
107.08596	88.0
109.10157	84.3
111.08087	15.3
111.11716	6.7
113.09653	5.0
119.08581	4.1
121.10149	100.0
122.10486	2.9
123.11706	79.7
123.94568	2.1
125.09648	6.5
127.11182	3.3
133.10120	3.3
135.11693	46.3
137.13252	20.4
139.11197	4.6
148.07431	1.8
149.13257	61.2
150.09187	3.3
151.14870	5.7
153.12773	7.5
163.14821	18.8
165.16434	11.5
167.07111	2.5
167.14333	37.1
177.16402	7.2
179.17891	10.0
181.10197	2.1
181.15968	9.4
203.64470	1.9
205.19519	60.2
223.20570	77.4
224.20801	2.3
241.04964	2.3
241.08675	3.8
241.21622	50.8
242.15375	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	241.2162
Annotation	14-Hydroxy-12,13-dihydrosesquiterpineol
Peak:m/z	Relative Intensity
53.03944	4.0
55.01863	4.4
55.05508	45.4
57.03442	8.9
57.07073	16.6
58.02950	4.9
59.04966	2.6
63.16623	1.8
65.03955	2.1
66.86437	1.7
67.05168	2.8
67.05502	41.6
68.05818	1.7
69.03127	1.7
69.03428	20.6
69.07065	78.3
71.04990	25.7
71.08609	8.2
79.05491	20.9
81.03409	14.8
81.07054	76.0
83.01349	2.2
83.04967	5.9
83.08124	3.2
83.08611	51.0
85.02892	4.3
85.06541	83.2
85.10164	6.9
85.15132	1.6
91.05476	25.9
93.06445	3.9
93.07039	61.7
94.07327	2.2
95.04966	5.0
95.08603	98.8
96.08955	1.8
97.02885	17.9
97.06541	10.8
97.09591	3.2
97.10168	35.0
98.23406	3.6
99.04440	5.6
99.08090	29.1
103.05494	2.7
105.07006	9.9
107.04939	4.8
107.08588	100.0
108.08865	2.1
109.02885	2.9
109.06506	3.6
109.10147	89.3
110.10442	2.2
111.04425	6.1
111.08078	15.5
111.11683	7.0
113.09655	4.7
114.09145	11.1
117.07008	3.1
119.08536	5.5
120.64631	2.0
121.06491	3.9
121.10139	92.1
123.11703	90.5
123.12460	1.8
125.05930	2.0
125.09615	7.8
127.03927	2.8
131.04930	1.7
131.08531	3.4
133.10109	6.0
135.11687	53.0
137.13255	24.5
139.11188	5.8
139.14714	2.7
141.12796	2.5
142.08617	10.8
143.08525	3.3
145.10150	4.5
147.04379	2.3
147.11682	2.3
149.09590	4.3
149.13252	67.3
151.07500	3.6
151.14845	2.2
152.06203	2.9
153.05447	3.8
153.06940	1.8
153.12755	7.1
155.14197	2.6
157.10065	2.7
163.07472	3.1
163.11166	2.4
163.14815	22.5
165.05530	3.3
165.06839	2.1
165.16376	7.6
167.07019	5.3
167.08456	3.2
167.14308	42.7
177.16341	7.9
179.17995	10.8
180.09195	2.5
181.04976	3.2
181.06541	2.2
181.08556	12.4
181.15858	8.8
182.15353	5.6
187.14754	2.0
191.07056	2.4
195.07889	2.0
198.06526	2.1
205.19508	71.8
206.19917	3.1
210.14838	5.5
223.13232	2.3
223.16951	5.7
223.20557	79.5
224.21075	2.2
226.09868	2.5
241.06662	2.8
241.08566	6.6
241.12198	6.2
241.16040	3.6
241.19420	4.8
241.21605	57.6
242.15390	3.3
242.22301	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	241.2162
Annotation	14-Hydroxy-12,13-dihydrosesquiterpineol
Peak:m/z	Relative Intensity
53.03966	2.5
55.05512	39.3
57.03436	7.1
57.07080	15.2
59.04991	2.0
59.72156	1.9
61.70882	2.1
67.05508	37.6
69.03442	5.5
69.06710	4.2
69.07070	63.0
69.07449	3.0
69.77251	8.4
71.04990	27.5
71.08642	4.3
76.57212	1.8
79.05495	22.0
81.07060	65.7
83.04992	3.5
83.08614	39.6
85.06546	78.4
85.10197	3.4
91.05480	18.3
93.07046	54.6
95.08609	100.0
96.08949	2.0
97.02856	2.3
97.06540	7.2
97.10165	26.9
98.10631	1.9
98.23313	2.4
99.08092	15.9
104.86211	2.4
105.07041	9.8
107.04951	3.3
107.08595	93.9
109.06499	3.9
109.10157	86.1
111.04449	2.4
111.08089	7.9
111.11746	7.2
113.09629	9.6
115.11060	2.1
117.06998	2.0
119.08595	2.8
121.06556	2.2
121.10144	98.8
123.11711	79.1
123.12637	2.4
125.09649	7.1
127.11165	2.1
131.08623	2.4
132.50685	1.9
135.11694	47.6
137.13257	25.5
139.11171	5.2
139.14842	7.5
143.08510	2.2
145.10136	2.6
145.58052	2.1
147.11690	2.4
149.13264	66.9
150.13564	2.5
151.14832	7.4
153.05437	4.4
153.12785	7.6
155.14418	1.8
157.10126	3.0
159.11723	3.2
163.14822	21.4
165.16418	10.4
167.07060	4.4
167.14319	42.9
167.52664	1.9
177.12836	2.3
177.16447	10.1
179.18007	8.6
181.05019	2.2
181.06476	2.5
181.10159	2.9
181.15894	11.9
185.09732	2.2
185.13266	2.8
205.19530	66.9
223.20563	88.1
224.20894	3.9
226.06160	2.5
241.08607	7.4
241.12245	7.9
241.15982	3.2
241.19566	3.5
241.21648	54.1
242.21893	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	241.2162
Annotation	14-Hydroxy-12,13-dihydrosesquiterpineol
Peak:m/z	Relative Intensity
53.03941	3.3
55.05510	40.5
56.03212	2.0
56.47228	2.0
57.03432	3.4
57.07081	19.4
58.68666	2.1
67.05505	42.1
68.08117	2.1
68.22453	1.9
69.03420	5.1
69.07071	63.1
69.40675	4.2
69.41084	9.4
71.04994	27.5
71.08643	6.1
76.34673	2.0
78.73265	1.7
79.05495	16.8
79.05814	1.6
81.07059	63.1
83.08623	41.8
84.16314	2.0
85.06542	68.3
91.05471	14.3
93.07041	53.9
95.04985	3.3
95.08607	100.0
97.06532	6.2
97.10168	27.9
99.08085	18.9
102.13798	1.9
105.07042	9.6
107.08592	92.0
109.10161	79.6
111.08099	11.6
111.11755	6.3
113.09673	5.8
119.08587	3.8
121.10146	93.6
123.11707	77.2
125.09635	4.2
125.13298	2.4
135.11688	53.1
137.13274	22.8
139.11211	5.4
139.14871	4.2
141.12735	2.2
145.10143	2.2
149.13246	66.7
151.14792	3.2
153.12735	6.0
155.14384	2.3
163.14832	20.5
165.16423	9.1
167.14317	42.3
177.16443	8.0
179.17989	5.9
181.04994	3.7
181.15907	7.9
187.18541	2.0
192.28458	2.7
202.40398	2.1
205.19513	64.3
223.20544	78.6
224.20920	2.6
241.19295	2.3
241.21614	59.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.2161
Annotation	14-Hydroxy-12,13-dihydrosesquiterpineol
Peak:m/z	Relative Intensity
53.03944	5.4
53.75386	2.0
55.05510	45.1
55.67592	2.2
57.03444	5.9
57.07072	22.4
62.73202	2.1
67.05499	47.7
67.58083	2.2
69.03430	6.3
69.07065	77.3
69.12495	15.7
69.12903	6.4
71.04992	35.3
71.08640	5.2
79.05486	23.1
81.03458	2.6
81.07054	76.2
83.04984	5.0
83.08620	45.7
85.06539	75.2
85.10168	5.5
91.05470	11.6
93.07039	60.3
95.04978	3.3
95.08605	100.0
97.02853	2.2
97.06561	8.1
97.10172	30.8
98.22616	4.8
99.04510	2.5
99.08105	20.3
105.07043	8.8
107.08590	98.9
109.10146	82.8
110.10488	2.1
111.04450	4.2
111.08085	9.2
111.11724	7.3
113.09628	5.4
117.07076	3.0
117.62309	2.5
119.08583	8.3
121.10139	96.1
123.08123	3.1
123.11701	81.6
125.05995	3.4
125.09634	10.0
133.10104	3.1
135.11681	52.4
137.13254	28.6
137.57544	2.2
139.11172	8.0
139.14862	3.7
145.10155	3.1
149.09679	2.4
149.13254	70.0
151.14833	5.9
152.94519	2.3
153.07022	3.3
153.12769	8.3
155.08580	2.8
157.10204	3.6
163.14813	21.8
165.06989	3.6
165.16426	10.1
166.07730	3.8
167.14297	36.3
169.10059	2.6
177.16435	10.8
179.17963	8.7
181.06483	3.6
181.08643	3.4
181.10088	4.4
181.15894	8.5
185.13239	2.8
186.00333	2.4
187.14708	2.5
195.17436	4.3
198.06802	2.7
199.14944	2.7
205.19516	61.9
206.19923	3.4
209.09642	5.0
223.17178	4.9
223.20563	76.3
224.20908	3.2
226.06236	2.6
226.09938	4.1
241.04997	2.5
241.08643	7.1
241.12236	13.5
241.15807	5.4
241.17960	8.7
241.19589	4.1
241.21646	52.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.2162
Annotation	14-Hydroxy-12,13-dihydrosesquiterpineol
Peak:m/z	Relative Intensity
53.03946	1.7
55.01871	1.3
55.05511	31.0
57.02070	0.9
57.03435	1.2
57.07079	11.4
59.04999	3.6
60.77523	1.0
65.03924	1.3
67.05168	1.4
67.05507	26.4
68.22847	1.0
69.03422	2.9
69.07070	44.6
70.80714	1.0
71.04994	39.4
71.08629	3.6
71.10640	1.0
71.31728	1.6
73.06569	1.9
79.05492	11.4
81.03447	2.3
81.07059	100.0
82.07401	1.2
83.04984	2.0
83.08625	32.1
85.06548	17.4
91.05475	4.7
93.07047	20.5
95.04989	1.6
95.08607	80.4
96.08958	1.5
97.02866	1.6
97.06533	2.8
97.10170	11.0
99.08094	30.3
105.07025	3.7
107.08592	24.1
109.10163	51.2
111.04443	2.0
111.08074	2.9
111.11706	5.8
113.09661	5.2
119.08634	1.4
121.10135	17.2
123.08107	1.7
123.11703	33.0
125.06006	2.5
125.13277	2.1
127.11185	6.2
131.08574	1.3
133.10159	1.3
135.11699	22.9
137.13252	45.5
139.11168	2.7
141.12747	7.8
141.22014	1.1
145.10088	1.2
149.13252	27.8
150.13583	1.1
151.14839	2.4
151.43947	1.0
153.06876	1.3
153.12744	9.8
157.10152	1.6
158.17505	1.0
163.14818	4.2
167.14346	1.9
170.15388	1.2
171.11673	2.9
177.16362	1.4
181.10091	1.9
185.39569	1.3
193.19542	5.4
195.11848	1.6
195.17386	2.4
205.19540	12.0
211.20576	41.3
213.12726	1.2
223.17006	5.1
223.20569	8.7
226.06372	2.1
241.08565	4.5
241.12267	4.6
241.15875	2.9
241.17685	7.2
241.19797	1.3
241.21616	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	242.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.9
55.93515	3.0
57.03431	3.5
58.06371	1.4
58.06603	15.5
59.06928	3.9
63.97274	1.4
65.88548	1.1
70.06572	1.5
70.29848	4.2
70.30183	1.4
72.08157	1.4
76.86654	1.2
83.01329	1.4
84.08132	6.5
85.02869	1.5
85.08473	5.2
87.04461	1.6
91.34044	1.3
96.11845	1.4
97.02922	1.2
98.09715	1.6
101.02357	3.8
115.03900	8.5
124.07588	1.7
129.01819	7.2
129.11050	2.1
134.06030	6.4
138.05475	3.4
143.03366	3.7
149.96162	1.3
150.09142	7.5
152.07050	15.1
153.07845	1.8
157.01299	5.9
160.07535	2.0
161.04485	3.1
178.08653	4.0
188.92473	1.7
189.03914	16.5
191.97177	2.6
196.09668	55.8
197.10060	7.1
224.09177	2.9
242.10268	53.6
242.15776	100.0
243.04735	2.1
254.91481	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.9669
Annotation	Unknow
Peak:m/z	Relative Intensity
71.30612	2.4
94.93013	21.0
96.64826	2.1
113.06891	2.2
138.96060	2.3
162.26791	2.6
176.93510	100.0
209.88634	2.3
224.95590	5.4
242.96709	30.7
255.55873	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55106	1.1
53.84134	1.1
60.05634	4.4
69.07055	4.9
70.06594	11.3
70.99095	1.9
72.08133	1.6
82.56690	1.0
84.04504	3.6
86.09692	4.7
86.98095	1.3
97.02908	1.8
98.97609	2.2
100.07624	3.5
112.07594	2.5
116.07091	5.8
116.98602	1.7
130.09715	2.3
132.10266	1.9
139.03908	1.8
139.41644	1.7
158.09271	2.9
160.94006	1.2
175.11876	3.5
183.02603	2.5
197.07600	1.5
197.09976	2.9
197.12859	2.3
208.09708	3.0
225.03654	1.8
226.10721	1.9
243.04738	100.0
243.10388	4.5
243.18156	15.8
244.05107	2.5
244.11732	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	243.065
Annotation	2,4,5,6-Tetrahydroxyphenanthrene
Peak:m/z	Relative Intensity
54.56316	0.8
55.01868	4.5
56.05384	0.7
57.55247	0.7
60.10402	0.6
68.99788	2.3
70.47699	1.9
73.41861	0.6
91.05470	1.2
103.05450	0.7
109.42773	0.7
110.32201	0.8
110.58099	0.7
115.05431	8.4
117.07004	1.4
131.08556	1.8
141.06982	33.2
142.07346	0.8
144.05753	0.9
145.06476	7.4
152.06169	1.0
153.07007	0.9
155.04889	1.4
155.06035	0.9
159.04375	1.0
159.08061	1.3
168.05699	1.7
169.06473	46.2
170.06946	1.4
171.04446	0.7
173.05980	27.1
179.06093	1.2
181.06462	0.7
187.07518	9.0
197.05963	100.0
198.06340	4.3
200.04703	2.8
207.15996	0.8
214.06206	1.1
215.07018	54.0
216.07300	1.9
223.03860	1.2
225.05443	42.7
226.06070	3.0
226.77483	0.7
243.06508	95.2
244.06795	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	243.0652
Annotation	2,4,5,6-Tetrahydroxyphenanthrene
Peak:m/z	Relative Intensity
51.02091	0.4
51.02379	0.5
55.01869	1.9
55.05516	0.7
58.06657	0.4
59.23256	0.5
59.61926	0.4
65.03933	3.4
67.05498	0.8
68.99789	5.3
69.36044	3.0
70.06582	0.7
75.69115	0.5
79.05489	1.0
81.03406	0.8
81.07056	1.3
86.09717	0.5
89.64187	0.4
91.05474	1.0
93.07050	0.9
95.04958	1.0
95.08619	1.4
98.23274	0.9
98.35732	0.5
105.07011	0.7
107.04944	7.0
109.02872	1.1
111.00822	0.8
111.04436	1.2
115.05432	3.6
117.07006	1.7
119.04916	0.7
119.08565	1.3
121.02858	17.3
123.08059	1.3
128.06204	0.9
129.06924	0.7
131.04895	1.3
131.08565	1.6
136.73036	0.5
139.03868	0.7
141.05438	2.5
141.06982	15.3
144.05684	1.3
145.06474	3.8
147.04401	3.3
147.08032	2.9
149.02332	91.2
150.02736	1.7
152.06113	0.6
153.07011	0.5
155.05991	0.5
157.06503	0.6
159.07999	2.2
161.13222	0.5
167.03444	1.5
168.05688	0.9
169.04967	4.7
169.06482	17.7
170.06961	0.5
173.05981	9.2
179.06094	0.6
181.05028	0.5
184.05067	0.5
185.05930	1.1
187.07515	4.7
191.61786	0.5
193.05049	0.5
197.05965	37.3
198.06480	1.8
198.14847	0.9
200.04704	0.9
202.04745	0.4
213.05447	1.1
215.07014	100.0
216.07388	3.3
225.05443	10.5
225.07625	0.6
226.06065	0.7
226.14233	0.5
243.06499	70.4
244.07014	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	243.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.3
55.01865	2.1
55.05490	1.1
57.03425	3.0
57.87777	1.0
60.05658	1.0
60.97331	1.0
61.02925	11.3
61.20713	1.1
65.03940	9.4
67.05518	5.2
68.99809	1.2
69.03420	1.9
70.06586	3.9
70.65218	3.3
77.03927	2.4
78.03243	1.1
79.05492	7.1
81.07056	4.6
82.04194	2.8
85.02909	4.3
91.05468	17.2
93.03428	2.6
95.04971	14.9
97.06564	2.4
98.97575	1.4
99.04450	1.3
103.05449	2.2
105.03379	4.8
105.04494	1.2
105.07027	3.5
107.04944	9.9
108.02126	2.1
109.06512	14.1
110.03660	4.2
111.04440	2.9
113.18192	1.4
116.07072	1.2
116.98622	1.6
119.04926	6.9
119.08591	1.7
121.06548	1.4
122.03661	1.1
123.04413	35.2
125.02340	7.3
125.05988	2.7
131.04897	1.1
133.02838	12.0
133.06500	3.4
135.04413	5.6
137.05981	23.4
138.03122	1.5
140.04674	100.0
141.04997	1.4
141.07022	1.2
142.02603	3.4
147.04416	4.8
149.05978	1.4
151.07559	6.9
152.04675	2.6
153.05460	3.9
155.07018	76.7
159.04419	1.1
163.03879	3.7
165.01819	1.1
165.05464	22.2
167.07043	1.8
169.05002	1.7
169.06406	2.3
169.99362	1.3
170.05748	1.1
171.06570	3.1
173.05962	1.3
173.08072	6.1
179.07047	11.4
180.04146	17.9
181.04951	80.7
183.06535	3.0
184.03534	1.5
192.04242	1.3
192.46046	1.1
193.04950	25.3
195.06499	10.8
197.05952	4.6
197.08096	9.9
207.06519	25.7
207.10149	1.2
215.06999	3.0
225.05466	1.2
225.07526	17.8
243.06612	8.2
243.08517	8.0
243.11987	7.4
243.17851	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0863
Annotation	2,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone
Peak:m/z	Relative Intensity
50.20870	0.6
51.02375	0.9
51.21745	0.6
51.47877	0.7
52.65025	0.7
53.03946	4.0
54.05672	0.7
55.01866	2.1
57.03419	1.1
60.12505	0.7
61.02925	9.4
62.65525	0.7
65.03943	8.3
67.05508	4.6
68.99805	1.3
69.03422	2.9
69.07067	1.0
70.06592	1.6
71.01348	0.9
71.31006	1.5
77.03916	1.3
79.05491	6.2
81.03416	2.5
81.07038	4.4
82.04178	2.9
84.08143	1.5
85.02910	5.7
91.04938	1.5
91.05479	18.5
91.26379	0.7
93.07040	1.6
94.04178	1.9
95.04968	15.3
95.08620	0.7
97.02896	1.4
97.06520	2.6
98.97593	1.2
99.04477	0.9
101.92014	0.7
103.05479	1.8
105.03394	3.1
105.04527	2.2
105.07030	0.8
107.04966	7.4
107.08615	1.0
108.02073	2.2
109.02874	1.9
109.06513	13.0
110.03661	3.7
111.04434	2.4
119.04939	5.8
119.78258	0.8
121.02814	0.9
121.06530	1.9
122.03684	1.4
123.04431	17.1
125.02361	7.5
125.06007	2.8
126.03037	1.3
129.06990	1.0
133.02847	10.1
135.04408	5.1
137.05971	21.3
138.03102	2.4
139.03896	0.8
139.85930	0.8
140.04677	100.0
141.05498	5.5
142.02631	2.4
145.06427	0.8
146.03604	1.4
147.04407	5.8
148.01514	0.8
149.05945	1.1
152.04692	3.0
153.05464	2.9
153.06902	1.1
155.07024	78.7
156.07411	1.3
163.03943	2.5
164.04582	1.4
165.01894	1.0
165.05475	19.8
167.07043	1.7
169.04994	6.8
171.06549	3.7
173.08054	6.8
179.07030	12.4
180.04167	13.9
181.04947	65.7
182.05388	1.5
183.06482	3.7
184.03696	1.6
193.04953	22.8
195.06525	10.1
197.06177	1.5
197.08044	9.0
207.06512	22.7
211.07697	0.9
215.07066	1.3
225.05588	1.5
225.07574	14.0
225.09651	1.2
243.06512	2.0
243.08607	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	243.138
Annotation	4,4'-(2-Methylpropylidene)bisphenol
Peak:m/z	Relative Intensity
53.03934	0.3
53.85643	0.2
55.05505	0.5
62.51266	0.3
67.05482	0.6
69.07053	0.4
71.32799	0.3
71.44481	0.2
78.37025	0.2
79.05473	1.2
81.07047	2.1
81.64347	0.3
83.69476	0.2
89.44321	0.3
91.05484	0.8
93.07026	0.4
95.08585	0.3
96.29317	0.2
105.07040	0.7
107.08604	0.6
115.05421	0.7
117.07008	0.5
119.08572	0.6
121.10126	0.5
128.06201	1.4
129.06981	1.4
130.07747	0.2
131.04909	0.3
131.08533	0.9
133.10094	0.4
141.06976	1.0
142.07770	0.7
143.08533	1.3
144.05730	0.3
145.06442	1.4
145.10117	0.9
147.11679	0.4
153.06964	0.9
154.07762	0.4
155.08559	1.5
156.09338	0.5
157.06439	0.8
157.10074	1.0
158.07253	3.0
159.08043	1.3
159.11642	0.4
161.05972	0.3
161.13242	0.7
165.06934	0.3
167.08510	0.8
168.05727	0.4
168.09340	1.2
168.46596	0.3
169.06476	1.2
169.10117	0.9
170.07370	0.6
171.08069	3.7
172.08865	1.3
173.09605	4.2
173.13145	0.5
175.07545	4.8
181.06407	0.6
182.07269	2.5
183.08041	2.3
183.11710	2.0
184.08817	0.8
185.05978	3.4
185.09625	3.2
185.13161	0.4
186.06717	2.9
186.10371	3.3
187.07524	0.5
187.11195	1.3
189.09196	0.5
193.10071	0.8
195.07932	0.7
196.08868	2.0
197.09621	5.0
198.09985	0.3
199.07535	16.7
200.08295	6.7
200.11990	1.6
201.09105	13.5
201.12698	0.8
202.09416	0.3
210.10489	1.4
211.11182	2.4
212.11964	3.8
213.09108	10.3
213.12358	0.4
214.09882	21.6
215.10629	3.4
215.14262	3.2
225.12706	0.7
226.09959	0.4
227.10753	0.7
228.11450	7.5
241.12228	0.6
242.28366	0.5
243.13792	100.0
243.20769	2.5
243.28857	0.6
244.14137	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	243.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74531	1.1
55.01869	1.1
56.96562	2.5
60.05648	34.8
69.06708	1.8
69.07066	33.2
70.06588	100.0
71.04990	2.3
71.31538	1.5
72.08145	6.7
81.03397	1.3
82.06564	1.0
84.04511	9.7
84.08144	2.4
86.09702	10.8
97.02877	2.4
98.06052	1.5
98.97598	2.1
100.07636	2.0
111.04472	2.2
112.07582	1.6
112.08727	9.2
114.10236	2.4
115.08683	6.3
116.07090	40.4
116.98639	2.7
119.08572	1.1
128.11841	9.2
130.09753	15.5
132.10173	3.5
133.09734	6.2
139.03891	1.4
141.06662	2.0
151.07516	1.0
157.10797	1.4
158.09242	17.1
175.11909	19.5
180.01500	1.2
197.04041	1.8
197.10040	3.1
197.12875	3.2
198.16005	10.7
208.09708	2.1
215.07042	1.6
219.01733	1.1
243.04564	7.2
243.06613	2.5
243.10320	10.1
243.18159	99.1
244.11943	2.4
261.02728	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	245.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60797	0.9
54.30584	1.0
55.05514	8.8
56.96572	3.2
58.06600	1.2
59.05003	1.3
60.05654	1.4
67.05515	1.3
67.80202	1.2
69.03426	4.0
69.81900	4.6
70.06590	12.2
71.04975	2.6
79.63669	1.1
81.03423	4.1
83.04986	14.3
84.04514	5.7
84.08131	1.5
85.02900	5.1
97.02907	5.1
98.97575	4.9
101.00852	1.8
101.05968	1.4
102.96870	2.6
109.02881	2.3
111.04425	2.5
112.08742	1.5
114.05507	2.2
115.05453	1.1
116.98609	3.2
119.01919	7.8
120.97901	1.1
127.03933	3.1
130.04997	3.7
131.01996	1.4
134.99701	1.2
139.03903	3.9
142.03322	1.2
142.04984	3.1
145.03499	1.7
157.06415	1.1
161.02956	4.0
171.06580	1.7
173.03038	1.5
175.11868	1.6
179.00816	1.3
184.09708	4.0
185.02921	2.0
197.02907	3.3
199.04173	1.5
201.12396	3.5
202.10767	3.8
221.01776	3.2
231.02859	1.3
245.04758	11.3
245.09982	100.0
246.10312	2.2
250.81911	1.0
262.99207	2.8
263.02884	8.1
263.05899	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.7
54.20444	0.5
55.01869	2.1
55.05509	4.2
57.03221	0.5
57.03436	5.7
65.03939	12.3
67.05510	1.2
68.99784	4.1
69.03430	2.9
70.06576	1.6
70.57658	1.4
71.01345	0.5
71.04982	1.3
75.04471	1.1
79.05465	0.7
81.03408	2.2
81.07035	0.5
83.04980	10.8
85.02907	2.0
91.05473	1.0
93.03406	7.6
93.07033	0.6
95.04967	1.3
97.02885	2.5
98.03669	0.8
98.22677	0.7
100.11240	0.6
107.04972	0.6
109.02856	1.4
111.04443	53.4
112.04749	0.7
113.02366	0.7
121.02856	0.8
121.03972	5.2
121.06506	1.4
123.04424	1.2
125.05968	0.6
127.03909	1.7
139.03897	100.0
140.04315	1.1
141.01839	5.9
142.78067	0.5
147.04399	0.7
149.05957	0.8
153.05440	1.1
154.02611	2.5
155.03371	4.2
156.04169	35.9
157.04581	0.6
169.04956	6.4
170.05740	12.7
170.07173	0.9
170.11734	1.4
171.06525	48.1
172.06926	0.9
177.05478	2.2
183.06517	3.1
195.06450	2.7
197.08055	0.5
199.04179	0.7
209.08139	1.9
213.07594	1.5
245.04523	2.4
245.10197	16.2
248.07263	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1018
Annotation	Tensyuic acid A
Peak:m/z	Relative Intensity
53.03941	3.4
55.01863	3.2
55.05506	6.9
56.99293	0.7
57.03433	12.4
59.04986	1.2
62.08249	0.7
65.03939	17.9
67.05494	3.5
68.99792	5.7
69.03422	4.7
69.07070	1.1
70.06590	2.8
71.04984	2.6
71.32069	0.8
74.06070	1.7
75.04481	2.7
76.66955	0.8
77.03927	1.0
79.05486	5.1
81.03416	3.4
81.05779	1.4
81.07047	3.8
82.04207	1.7
83.04977	14.2
85.02905	5.2
86.09712	1.4
87.04484	1.2
91.05492	5.5
93.03397	11.8
93.07091	3.8
94.04185	1.3
95.04962	16.4
95.05524	1.5
95.08598	1.1
96.08113	4.6
97.02890	3.3
97.06521	2.5
98.03659	2.0
99.04442	1.1
103.05470	3.5
105.03419	1.3
105.04474	1.0
105.07063	1.2
106.04153	1.8
107.04944	1.8
108.02099	2.4
109.02882	3.6
109.06531	3.8
110.03670	2.0
111.04440	48.5
113.02395	0.9
113.54946	1.0
115.05405	1.2
119.04922	1.3
121.02959	0.9
121.03992	4.0
121.06484	7.7
122.03638	1.2
123.04429	9.7
124.06662	1.1
124.07590	21.2
125.02342	1.4
125.05979	2.1
126.03127	2.0
127.03918	3.3
128.06184	1.2
129.07001	1.6
131.04944	1.0
131.08582	1.4
133.02882	1.9
135.04395	1.2
137.02370	1.3
137.05998	4.5
137.06873	0.8
138.03119	1.8
139.03894	100.0
140.04691	2.8
141.01830	4.0
141.05460	2.4
142.02573	1.3
147.04443	2.0
148.05161	4.4
149.06003	6.0
151.03970	2.2
153.05487	2.6
154.02600	7.9
154.06160	1.8
155.01588	1.0
155.03395	3.4
155.06970	1.1
156.04172	19.4
156.05452	1.2
157.06421	1.1
159.05530	0.8
161.06004	1.2
165.05453	13.3
166.06287	0.9
167.03419	1.4
167.07077	1.9
169.04953	23.3
170.05740	13.7
171.04393	1.6
171.06520	37.5
172.05103	1.3
173.09660	0.8
173.58908	0.8
175.03915	0.8
175.07652	1.5
177.05444	9.0
181.08699	1.0
182.05771	2.6
183.06528	8.8
189.05513	1.0
193.05052	1.3
194.05743	4.6
194.66179	0.9
195.06509	16.8
197.08072	8.0
199.03896	2.7
199.07329	1.0
199.12311	1.2
209.08090	19.9
213.05725	1.2
213.07535	6.5
217.05019	1.1
217.08644	0.9
227.06972	1.0
227.09039	1.3
227.11946	1.0
245.04477	39.4
245.08189	2.0
245.10226	28.4
245.12878	6.1
246.04851	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	245.1384
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
54.06408	7.4
55.01873	9.9
55.05508	25.8
67.05501	27.3
69.07058	36.8
70.06593	8.3
70.94330	6.9
71.04950	6.5
71.34051	9.1
78.94107	7.8
79.05483	66.4
81.07054	40.1
83.04987	33.1
83.08599	14.7
91.05487	28.9
93.07037	64.3
95.08608	22.6
97.06551	10.9
97.10182	8.2
105.07027	16.5
105.37516	7.6
107.04955	28.9
107.08595	29.5
111.11713	11.6
112.20593	7.7
113.06053	8.3
117.07027	10.7
119.08572	22.1
121.10139	100.0
125.06001	8.3
131.08563	15.7
135.04437	13.6
135.11696	30.3
139.11176	31.5
145.10123	30.5
149.09621	7.4
157.06494	7.2
161.05998	7.9
163.11137	49.3
173.09636	10.9
181.12270	13.8
185.11700	15.7
191.10599	8.4
217.37311	7.4
227.10744	9.0
227.12776	39.1
245.04295	42.6
245.07996	35.7
245.11618	16.4
245.13725	93.2
246.18497	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	245.1535
Annotation	Arnebinol
Peak:m/z	Relative Intensity
53.03947	1.3
55.01875	2.6
55.05513	3.2
57.03435	32.6
65.03937	1.5
67.05162	0.8
67.05503	13.8
69.03417	1.3
69.07068	4.8
69.56301	2.9
70.06592	0.7
71.04973	0.7
73.95721	0.5
77.57941	0.5
78.14194	0.5
79.05489	13.6
81.07050	8.6
83.04969	1.4
83.08620	1.4
85.06532	2.7
91.05479	13.0
93.07040	10.6
95.04965	12.1
95.08604	5.9
97.06529	5.7
97.10167	0.7
98.23220	0.9
99.04469	0.6
105.07031	8.3
107.04951	6.6
107.08594	9.9
109.06515	15.5
109.10116	0.9
113.05977	2.3
115.05453	1.3
117.07007	6.1
119.08569	8.3
121.06506	2.6
121.10147	10.0
123.04428	12.8
123.08051	4.9
124.04845	0.5
125.05996	7.7
125.09634	1.1
128.06194	2.4
129.07008	12.2
130.07780	1.7
131.04906	1.8
131.08560	11.5
131.09467	1.1
133.06480	1.2
133.10133	3.8
134.55090	0.5
135.04439	0.6
135.08060	4.6
137.05959	0.6
137.09657	0.7
141.06982	1.7
142.07814	1.3
143.08572	7.0
145.06480	1.3
145.08989	0.6
145.10124	11.8
147.08037	3.8
147.11661	1.0
149.05991	0.6
149.09602	12.0
151.07536	4.2
152.70377	0.6
155.08624	2.9
155.09669	0.5
156.09354	0.6
157.06474	2.5
157.10112	8.0
159.08076	3.4
159.11687	2.2
161.09621	5.5
161.13283	3.7
163.07558	2.3
163.11180	1.1
167.08539	1.4
169.10146	1.6
170.07201	0.6
170.10858	0.7
171.08035	0.7
171.11676	9.8
173.09622	10.3
175.07542	2.5
175.11226	0.9
177.09122	5.0
181.10106	1.3
183.11687	0.7
185.09601	3.2
185.13234	2.1
187.11221	1.9
189.11249	0.8
189.12738	12.6
189.16373	0.7
191.10532	0.7
198.10422	1.9
199.11227	3.1
199.14801	9.6
201.12679	1.0
203.10677	2.1
209.13275	2.0
217.15855	11.1
227.14296	17.3
227.17839	1.2
228.14748	0.6
228.23152	0.7
237.84776	0.5
245.15369	100.0
246.15738	3.7
246.18454	1.0
246.24258	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	245.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
53.68289	0.6
55.05507	10.1
57.07071	5.2
65.03940	1.5
67.05502	36.2
69.06708	0.9
69.07065	15.4
69.11523	6.1
71.08621	1.6
77.03864	0.7
79.05487	31.7
81.07052	37.2
83.08611	5.8
85.10166	1.6
91.05476	38.4
93.07039	40.0
95.04985	0.9
95.08601	36.9
97.10168	2.8
98.22507	1.1
103.05424	0.7
105.07024	24.6
107.08585	22.7
107.34647	0.7
109.10152	12.9
117.06993	2.0
119.08575	26.3
120.08862	0.8
121.10140	31.3
122.10398	0.8
123.11712	5.7
131.08548	2.7
133.10120	37.4
134.10484	0.7
135.11688	11.9
137.13266	3.9
143.08473	1.1
145.10101	1.1
147.11676	23.6
147.12856	1.2
147.71518	0.7
149.13240	10.8
151.14804	2.9
157.10124	1.1
159.11681	1.6
161.13243	31.2
162.13641	1.1
163.14795	15.6
173.13306	0.9
175.14807	18.4
176.15150	0.9
177.16364	3.0
185.13353	0.7
187.14845	0.7
189.16351	7.7
199.14804	1.1
203.17960	3.9
217.19481	1.2
238.24435	0.7
245.08078	1.2
245.15479	2.1
245.22633	100.0
246.22858	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	247.0127
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	100.0
69.03446	0.6
69.89629	1.9
70.98122	25.9
71.95277	1.3
74.97612	2.9
84.96030	6.8
85.02911	1.1
86.97600	3.0
88.99161	6.3
89.14068	0.5
92.00657	0.5
94.07801	0.6
98.97572	6.3
100.99143	9.3
101.00920	1.2
103.52924	0.5
105.50687	0.6
107.00213	1.2
108.05753	0.5
110.97579	7.1
112.95491	3.1
115.00718	2.1
116.19050	0.6
116.98615	3.3
119.00181	3.1
119.01919	0.8
120.18248	0.7
121.01713	0.9
126.97021	2.8
128.98599	7.8
130.96521	5.0
133.01740	6.1
134.99701	1.8
143.00168	1.4
144.98087	40.8
146.99672	3.7
148.97583	2.7
151.02809	1.1
157.03529	0.7
161.01266	3.4
161.02933	0.8
162.99144	32.8
166.98631	1.0
177.00879	1.0
179.02303	1.1
181.00215	6.5
186.99109	4.5
189.46436	0.5
199.01268	0.8
203.02570	0.6
205.00200	40.9
206.00528	0.8
223.01253	61.5
224.01651	0.6
241.02338	5.5
247.01430	4.3
247.06573	2.2
265.02567	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	247.0149
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15807	0.4
63.94588	1.0
70.76205	1.2
101.01042	1.6
103.00793	4.2
104.99372	0.5
109.17806	0.4
119.02074	4.6
120.02135	0.9
121.00894	0.7
121.01823	10.6
134.99969	0.9
137.03119	0.5
138.99406	0.6
139.02716	2.6
139.22885	0.4
140.98972	1.3
158.99892	4.5
161.01588	0.5
162.99361	2.9
177.00941	40.8
177.07933	0.5
177.99765	0.7
178.01045	3.3
179.00639	2.9
180.01024	1.4
181.00407	18.4
185.01532	0.8
193.49217	0.4
203.02501	20.3
204.02641	1.5
205.00484	2.4
210.99487	1.6
219.02011	8.8
219.04005	0.9
220.02130	0.6
221.01752	2.2
221.03539	2.2
221.73103	0.4
222.01973	1.4
223.01501	23.2
224.01732	0.7
229.00368	9.2
230.00630	1.0
246.03247	0.6
247.01486	100.0
248.01630	7.9
249.01720	0.6
263.02747	2.1
265.02646	89.3
266.02985	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0425
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30806	1.5
56.96563	4.3
66.93054	1.7
70.06586	4.1
70.81184	2.8
84.08161	2.2
85.02898	2.7
101.00886	16.8
103.00662	4.0
104.10754	2.8
113.00888	2.3
113.02222	1.7
115.02450	4.4
118.08665	8.0
119.01925	38.8
120.02081	1.8
121.01678	4.0
124.46552	1.8
128.81358	1.4
130.09784	2.3
131.01915	10.2
133.03494	6.2
137.02989	7.4
143.01920	3.9
144.98058	2.2
144.99831	2.4
145.03456	2.5
155.01913	2.5
157.03465	4.4
161.02943	8.4
162.99078	2.2
163.02675	2.3
168.99826	3.5
173.03020	4.8
175.04520	5.2
177.01004	2.0
187.00919	6.4
187.02573	2.2
196.99281	2.4
205.02036	4.0
205.05609	2.1
215.00298	10.6
223.01236	2.0
229.03220	28.1
247.04276	100.0
247.08263	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	247.0426
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	5.9
57.03414	0.9
60.20542	0.8
68.29883	0.9
69.03414	1.5
70.06584	4.4
70.82798	1.6
70.98110	1.6
71.04964	1.0
71.37683	0.8
83.04955	0.9
85.02902	4.9
85.14949	1.0
86.09727	1.5
92.33103	1.0
97.02887	1.5
98.98466	2.3
100.99183	0.9
101.00870	4.7
103.00642	2.6
104.10737	4.5
112.08718	1.4
118.08658	22.5
119.01910	9.1
121.01659	2.1
127.84822	1.0
130.08931	1.0
130.09752	6.2
130.12320	1.1
130.51985	1.0
131.01907	1.0
133.03468	0.9
142.08575	0.9
143.01872	2.0
144.98076	2.0
145.03465	1.7
154.44594	0.8
155.01945	1.3
157.03513	1.2
159.03053	1.0
161.03017	4.8
162.99141	2.1
163.02747	2.2
167.03200	1.3
175.02719	1.1
187.00800	1.0
187.02583	2.0
205.00217	1.9
205.02008	1.1
205.03758	1.0
210.41437	1.0
215.00272	1.5
219.56152	0.8
223.01213	3.0
223.06842	1.0
225.46576	0.9
229.03191	33.7
247.04256	100.0
247.08092	5.2
248.04539	1.5
260.53476	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0964
Annotation	Fraxinellonone
Peak:m/z	Relative Intensity
53.03950	3.5
55.01871	14.5
55.05502	1.4
61.02916	4.9
64.86449	1.3
65.03938	1.6
67.05502	8.9
68.99791	2.2
69.03422	5.4
69.25354	9.2
73.02906	1.4
74.06079	1.8
79.05499	9.2
79.46376	1.2
81.03415	47.7
81.07053	8.4
83.04974	2.0
85.02917	8.2
91.05476	18.3
93.07053	6.6
95.04977	5.0
95.08604	10.1
96.08099	1.7
97.02929	1.7
103.03955	1.1
103.05465	4.7
105.07025	27.5
107.04929	8.4
109.02880	3.0
109.06509	6.9
110.12846	1.2
111.04493	1.7
115.05442	17.7
116.06259	3.8
117.07004	11.3
119.04964	1.5
119.08589	4.7
120.05723	2.1
121.02874	7.3
121.06507	25.5
123.08069	4.1
124.07604	3.5
125.07903	5.4
128.06212	35.6
129.06996	29.2
130.07736	2.5
131.04890	9.8
131.08571	16.2
133.06471	21.9
135.04413	1.7
135.08009	1.3
137.02362	2.5
141.06985	22.0
142.07735	1.3
143.04922	3.6
143.08578	7.6
144.05698	11.3
145.06477	17.9
145.10121	3.4
147.04404	2.6
147.08064	5.7
149.09598	1.5
151.07536	100.0
152.06207	2.6
152.07910	2.6
153.01830	5.0
153.06956	8.7
154.07724	3.7
155.04922	2.6
155.06090	3.9
155.08522	15.7
156.05704	1.4
157.06483	63.0
158.07268	19.6
159.04442	1.6
159.08054	35.6
160.05214	1.8
160.08464	1.6
161.05984	2.1
163.03940	4.0
165.05576	2.6
165.06990	9.3
168.05717	6.8
169.06465	13.7
169.07690	2.0
171.04424	3.9
171.08043	40.0
172.08759	3.5
173.06010	5.2
173.09561	7.2
174.06744	1.9
175.07529	23.8
177.09129	2.5
179.07021	44.0
182.07210	1.6
183.08035	24.8
185.05963	20.2
186.06635	1.5
187.03903	2.0
187.07539	20.4
189.09091	19.8
191.07082	1.7
193.06454	2.7
197.05975	1.8
198.06737	1.9
199.07518	3.2
200.08319	2.1
201.05527	3.0
201.09093	40.8
203.07002	15.1
205.08604	2.3
211.07544	11.7
217.08597	12.5
219.02997	1.8
219.10213	2.4
229.04930	4.4
229.08591	52.4
230.08990	1.8
247.06024	26.9
247.09680	45.7
247.13315	2.7
248.06612	1.3
248.09938	2.3
258.80811	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0965
Annotation	Fraxinellonone
Peak:m/z	Relative Intensity
53.03938	4.7
55.01873	15.4
55.05504	3.0
57.03444	2.6
57.07057	1.6
61.02917	4.9
65.03951	2.5
67.05499	9.7
68.94247	1.0
68.99786	4.2
69.03419	8.7
69.07091	1.1
69.69045	5.2
71.01353	2.2
73.02930	2.5
74.06062	1.9
79.05489	11.0
81.03413	48.4
81.07045	7.5
83.04970	3.4
85.02898	8.7
91.05477	19.5
93.07027	6.0
95.04970	7.0
95.08595	13.3
96.08140	1.1
97.02930	1.4
97.08424	1.5
103.05473	4.9
105.07024	28.3
107.04952	6.0
109.02883	2.6
109.06518	6.0
115.05443	17.4
116.06268	2.0
117.07022	15.0
119.08593	3.6
120.05731	2.4
121.02861	7.0
121.06501	25.2
123.04412	1.3
123.08051	4.0
124.07575	4.3
125.05972	1.4
125.07915	7.1
127.05423	1.6
128.06215	33.0
129.07002	30.0
130.07785	2.4
131.04897	8.6
131.08563	16.1
132.05711	2.6
133.06497	21.8
133.10107	1.4
135.04422	3.0
135.77571	1.1
136.06226	1.2
137.02310	1.6
141.06993	24.3
143.04901	2.7
143.08585	9.6
144.05695	13.6
145.06482	19.3
145.10141	3.5
147.04391	1.7
147.08032	6.5
149.05826	1.2
151.07539	100.0
152.06198	3.0
152.07927	1.8
153.01833	6.9
153.06985	9.6
154.07820	2.0
155.04892	2.8
155.06039	5.1
155.08530	16.4
157.06485	63.3
158.07266	20.7
159.04402	1.5
159.08058	37.5
159.11668	2.3
160.05267	2.6
160.08501	1.9
161.06009	5.5
161.09634	1.5
163.03931	4.1
163.07515	1.6
165.05542	2.5
165.07001	8.0
165.49905	1.2
166.07239	1.3
168.05688	6.0
169.06456	13.6
169.07706	1.5
170.07265	1.5
171.04384	4.3
171.08055	40.4
172.08727	2.5
173.05997	5.6
173.09598	10.2
174.06731	2.8
175.07564	20.6
177.05414	1.4
177.09131	3.7
179.07019	46.1
180.07362	1.4
183.08049	24.5
184.05310	1.6
185.05956	18.6
185.09705	1.4
186.06718	3.7
187.07516	20.2
189.09103	16.4
191.03404	3.4
191.07018	1.9
191.10524	1.5
193.06454	1.3
197.05994	2.9
197.56480	1.1
198.06818	1.9
199.07547	4.8
200.08398	1.6
201.05397	4.3
201.09096	38.0
201.12828	1.3
203.07031	11.9
205.08545	1.7
211.07520	14.0
214.02615	1.5
215.07043	1.7
217.01198	1.8
217.08609	14.5
219.02859	1.8
219.10133	2.4
229.05179	6.1
229.08582	52.6
232.03714	3.1
241.36513	1.2
247.02242	1.7
247.06026	34.6
247.09694	46.9
247.13326	2.9
248.09917	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1327
Annotation	CHEBI:67421
Peak:m/z	Relative Intensity
55.05259	4.3
55.05512	71.7
56.04518	2.0
67.05500	2.7
69.07042	2.6
69.74508	6.1
69.74914	3.3
73.58479	1.7
79.05499	3.7
80.04994	3.9
81.07059	3.9
83.04978	100.0
91.05474	10.9
93.07034	5.7
94.60536	1.7
95.08600	3.4
104.99244	3.7
105.07018	4.4
107.08582	4.9
115.05453	3.6
117.06996	4.6
118.88216	2.1
119.08566	21.6
129.06960	2.2
131.08557	4.5
132.05690	4.5
133.10095	4.8
133.52203	1.9
144.05743	1.9
145.10144	7.0
147.06856	3.4
147.08037	47.4
147.11649	3.8
149.05933	6.6
149.09688	2.6
158.44083	1.9
159.11668	5.7
160.05235	9.6
162.03069	3.0
168.83179	1.9
171.40277	1.7
175.07526	11.4
177.05438	6.8
180.64256	2.0
190.02570	6.8
201.09183	2.6
201.16417	10.8
205.04962	29.9
216.11523	2.5
247.13338	3.5
247.16962	8.2
247.20750	3.2
248.23714	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	247.1329
Annotation	Parishin B
Peak:m/z	Relative Intensity
53.03952	3.4
55.01889	1.4
55.05507	5.9
57.07074	1.8
65.03935	5.8
67.05491	5.9
68.99774	2.8
69.03425	29.8
69.07076	2.8
79.05470	8.7
81.07053	7.5
83.04977	22.0
83.65610	1.1
85.06565	1.5
87.04422	1.2
91.05470	20.9
93.03411	5.0
93.07038	12.9
95.04961	5.7
95.08617	3.1
97.02901	8.0
97.06527	2.0
103.05457	1.5
105.07022	16.9
107.04923	3.1
107.08586	12.4
109.02858	9.7
109.06506	12.3
109.10162	3.2
111.00877	1.3
111.04468	5.6
111.08073	3.1
115.05424	6.6
116.06239	1.8
117.07013	14.1
119.08575	18.7
121.02866	5.9
121.06506	14.9
121.10131	5.6
123.04421	2.5
123.08084	4.1
125.05984	1.8
128.06227	3.3
129.06992	7.9
130.07802	2.5
131.04941	1.7
131.08551	20.1
132.05693	4.0
133.06476	2.2
133.10117	10.4
135.04417	3.2
135.08038	30.6
135.11748	1.1
137.05977	4.7
137.09627	3.0
139.03885	2.7
141.07021	2.2
142.07793	3.6
143.08551	9.6
144.05775	1.4
144.09306	9.8
145.02837	1.8
145.06461	14.5
145.10103	14.6
146.07210	1.1
147.08002	6.1
147.11665	1.3
148.05267	1.3
149.05954	2.4
149.09612	22.0
150.10413	2.6
151.07561	1.8
151.11205	4.2
153.07034	2.5
153.09155	1.4
154.07700	2.0
155.08572	7.2
157.06491	2.5
157.10138	4.3
158.07300	3.3
158.10889	11.5
159.08035	13.2
159.11679	26.3
159.12909	1.9
160.08875	6.3
161.06067	1.4
161.09616	6.2
163.03905	13.9
163.07530	22.5
163.11252	2.9
165.09143	2.3
168.09352	4.9
169.06352	1.4
169.10149	3.7
170.10907	5.3
171.08066	11.7
171.11635	1.4
172.08812	18.3
173.06010	2.2
173.09608	32.2
173.13237	30.1
175.07544	2.3
175.11214	1.5
175.15021	1.1
177.12700	1.9
178.07878	1.9
181.06497	3.6
183.11719	8.5
185.09602	2.9
185.13286	2.1
186.10384	22.8
187.07587	4.8
187.11160	100.0
188.11545	3.1
189.05482	2.4
189.09132	3.1
191.07021	53.1
193.10095	2.6
196.08881	6.6
199.07506	3.1
201.08966	2.7
201.12735	57.2
202.13057	1.9
205.04977	7.7
205.08604	2.6
205.12318	4.4
211.11147	13.0
214.09920	4.1
219.08046	1.4
219.10176	1.6
219.13742	6.3
229.12218	69.5
229.15860	2.0
230.12561	2.8
247.05641	2.2
247.07536	1.8
247.09677	35.4
247.13313	100.0
247.16656	6.3
248.13625	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	247.1328
Annotation	Cybrodal
Peak:m/z	Relative Intensity
55.01860	0.8
55.05523	0.6
57.07064	1.0
67.05502	1.4
69.03421	2.0
69.07051	0.9
71.32711	0.8
79.05484	1.8
81.07043	2.2
88.07641	0.7
91.05486	2.5
93.07040	1.5
95.04939	0.9
95.08605	1.6
103.05495	0.8
105.07024	3.5
107.08579	1.6
111.08077	0.5
115.05451	1.1
117.07018	1.6
119.08580	2.0
121.06486	0.7
121.10120	1.5
128.06194	5.1
129.07001	2.8
130.07776	1.0
131.08568	2.5
133.06496	2.1
133.10117	1.8
137.40150	0.7
141.06952	3.8
142.07788	2.5
143.08537	5.6
145.06458	1.0
145.10107	6.6
147.07991	0.7
152.06157	0.7
153.06972	2.8
154.07771	8.2
155.08516	4.9
156.09225	0.7
157.10110	1.8
159.08054	6.5
159.11655	1.5
161.05980	1.8
165.07016	0.7
167.08571	3.4
168.09331	14.6
169.10117	94.1
170.10628	1.9
171.08038	50.9
172.08450	1.2
173.13269	1.2
177.09094	1.3
178.07755	2.1
179.07033	6.1
179.08485	1.0
181.06453	5.5
181.10091	1.2
183.11682	34.3
184.11978	0.9
185.13226	1.4
185.17310	0.8
187.07506	0.8
187.11169	13.8
187.14815	1.6
189.09125	5.0
193.10120	11.3
195.08041	1.7
196.08830	10.9
201.12714	1.3
201.16364	3.2
211.11166	100.0
212.11447	2.8
229.08504	1.2
229.12224	31.3
229.15822	1.1
246.24289	1.9
247.13272	82.6
247.16736	3.9
247.24539	2.7
247.57626	0.5
248.13612	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	247.1329
Annotation	CHEBI:67421
Peak:m/z	Relative Intensity
53.03939	2.3
55.05511	73.3
57.07072	6.2
67.05517	1.5
68.05061	1.0
69.63374	4.9
70.06592	12.4
71.06924	2.1
71.08627	2.1
79.05486	2.0
81.07055	1.8
83.04979	100.0
88.07628	14.4
89.07967	3.7
91.05450	5.1
93.07038	2.4
95.08605	2.2
101.05975	1.1
102.09177	3.4
105.07015	2.2
106.08648	8.1
117.07001	2.9
119.08571	14.4
131.08546	3.9
132.05728	1.3
133.10121	2.0
135.08104	1.7
135.11674	1.3
145.10117	3.2
147.08043	30.7
159.08034	1.5
159.11668	1.2
177.09129	1.6
184.20692	1.6
187.14821	2.2
201.12817	1.5
205.08487	1.3
228.23230	2.8
229.23584	4.1
246.24283	34.2
247.07437	1.8
247.13216	4.4
247.16812	4.9
247.24617	64.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05485	1.8
55.39102	0.6
67.05484	1.0
69.07062	4.1
69.26129	6.1
71.08635	0.8
72.94468	0.7
79.05475	2.4
80.89468	0.7
81.07044	2.5
83.08614	0.9
91.05475	2.9
93.07047	4.2
95.08578	5.1
105.07024	8.3
107.08567	6.3
109.06477	0.8
109.10138	1.6
115.46152	0.7
117.06984	2.5
119.08590	6.4
120.32790	0.8
121.10158	3.0
130.36206	0.7
131.08545	9.7
133.10121	16.1
135.11731	0.8
135.27713	0.6
145.10109	21.1
146.06020	0.8
147.11694	3.8
159.11717	7.6
161.09644	0.7
161.13257	1.2
163.11157	1.0
173.13216	4.5
177.09084	1.2
179.10661	2.6
181.04305	0.7
186.14052	1.9
191.10690	2.2
201.16364	100.0
202.16714	3.4
203.17958	2.5
218.99443	0.7
219.17358	3.1
229.15923	1.4
247.16910	20.0
247.20708	1.0
259.27600	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1692
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
51.67167	1.0
55.05505	2.0
56.78164	1.3
57.60424	1.1
67.05505	2.1
68.46634	1.1
69.07066	5.1
70.53622	2.4
79.05489	3.4
81.07051	3.7
88.14653	1.1
91.05483	2.9
93.07021	6.3
95.08607	4.4
100.53959	1.1
105.07026	11.1
107.08594	9.0
109.10133	1.9
116.91395	1.0
117.06993	3.0
119.08582	7.5
121.10142	3.6
131.08582	12.1
132.54070	1.1
133.10120	15.0
145.10107	22.9
147.11678	2.6
159.11694	8.3
161.09624	1.6
161.13254	1.9
173.13269	6.0
177.09106	1.2
179.10663	2.1
186.14076	2.4
191.10699	2.6
201.16374	100.0
202.16689	5.8
203.17973	2.1
219.17426	3.4
247.16914	22.1
247.20625	2.6
248.06937	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1693
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
53.03951	1.8
55.05513	10.5
57.07085	2.4
66.93391	0.8
67.05512	7.1
69.07066	6.6
70.70806	1.5
70.71146	2.0
79.05501	7.1
81.07058	11.4
83.08611	4.2
91.05476	17.6
92.55536	1.0
93.07037	24.0
95.08601	23.4
97.10163	1.6
99.04414	1.2
105.07029	35.6
107.04957	1.0
107.08593	32.2
109.10152	7.2
111.08102	1.3
117.07008	8.0
118.07748	1.2
119.08579	51.0
120.08914	1.6
121.10136	11.4
123.11648	1.0
125.05974	1.8
125.09586	1.1
126.90216	1.0
129.06990	2.3
130.07779	3.4
131.08566	35.0
133.06456	1.1
133.10127	58.2
134.10420	1.2
135.08015	2.6
135.11676	2.4
139.07509	2.0
143.08546	2.2
144.09340	4.4
145.06487	1.8
145.10124	45.8
146.04709	1.0
147.08109	1.3
147.11664	8.3
149.05956	3.3
149.09616	3.7
149.13185	1.7
151.07552	2.9
153.09163	1.6
156.09454	1.3
157.10153	5.2
158.10957	1.4
159.08102	5.5
159.11688	43.3
160.11975	1.5
161.13289	8.1
163.07587	9.6
165.09091	3.5
171.11685	3.0
172.12451	2.4
173.09689	5.6
173.13260	19.2
175.07504	2.5
175.11169	1.0
175.14842	2.7
177.09113	40.9
179.10625	1.9
179.78603	0.9
179.92180	1.0
186.14041	2.0
187.11200	3.6
187.14876	2.6
191.10652	5.7
201.16379	100.0
202.16716	3.6
203.17944	7.4
211.14862	1.9
219.17447	4.4
225.04301	3.0
229.15840	13.0
229.19421	1.5
247.16920	23.7
247.20714	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	247.1691
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
52.78944	1.0
55.05515	4.4
56.65636	1.0
57.07064	2.2
67.05498	6.7
69.07074	6.0
69.39040	3.3
69.39448	3.4
71.71925	1.0
79.05493	7.1
81.07056	7.9
83.08625	1.5
91.05463	7.8
93.07046	13.4
95.08596	8.4
97.10199	0.9
105.07029	14.7
107.08589	13.8
109.06519	1.8
109.10162	3.9
116.42751	0.8
117.07036	3.6
119.08566	16.3
121.10132	9.2
129.07007	1.0
130.07829	1.2
131.08559	17.4
133.10124	24.2
135.11723	4.2
143.08560	1.3
144.09357	1.4
145.10118	30.9
147.11673	4.9
149.09747	1.2
149.13211	1.4
151.07494	1.0
157.10094	1.9
159.11693	17.3
161.13289	1.9
163.07526	1.8
173.09717	1.2
173.13242	9.5
175.14697	1.4
177.09113	6.3
179.10686	2.8
186.13985	1.3
187.11162	1.4
187.14857	1.1
191.10651	2.1
194.14816	1.0
201.16373	100.0
202.16808	3.0
203.17982	3.3
219.17479	3.9
226.01611	1.1
229.15878	4.3
229.19444	1.6
247.13002	1.1
247.14828	1.0
247.16904	25.5
247.20659	2.6
247.24280	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	247.1691
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
53.03924	0.8
55.05510	9.2
57.01800	0.6
57.07044	2.0
59.04984	0.8
65.03906	0.7
67.05504	5.8
68.59621	0.6
69.07065	6.1
70.71001	1.5
79.05499	6.3
81.07055	7.8
83.08617	3.5
85.42390	0.6
87.76559	0.7
91.04942	0.8
91.05474	11.9
93.07036	18.9
95.04981	0.8
95.08025	0.9
95.08598	16.2
96.08850	0.5
97.10136	2.0
99.04422	1.4
104.99203	0.7
105.07021	25.1
107.08586	22.8
109.06493	1.6
109.10145	5.0
113.05953	0.9
115.05430	1.1
116.06167	0.7
117.07016	5.7
119.08572	38.4
120.08856	0.9
121.10137	9.4
123.08094	1.0
123.11700	2.2
125.05979	1.4
125.09688	0.7
127.07558	0.7
129.06982	1.0
130.07761	2.0
131.07533	0.6
131.08557	27.9
133.10121	48.6
134.10443	1.3
135.08009	2.0
135.11649	1.1
137.13301	1.2
137.43156	0.7
139.07509	1.8
143.08517	2.7
144.09380	2.8
145.06461	0.8
145.10115	35.9
146.10478	0.9
147.08025	0.7
147.11673	9.2
149.05954	2.0
149.09584	2.5
149.13293	1.1
151.07516	2.8
153.09077	1.6
155.55119	0.6
157.10146	3.7
158.07297	0.6
158.10922	1.2
159.08093	3.2
159.11690	32.3
161.09523	0.8
161.13248	6.4
163.07558	7.5
163.11119	0.6
165.09079	2.1
169.10225	0.6
171.11681	2.7
172.12430	2.4
173.09622	5.1
173.13245	15.0
175.07491	1.1
175.11212	0.7
175.14774	2.1
177.09102	31.0
177.16338	0.6
178.09567	0.9
179.10661	2.5
184.60260	0.6
185.13193	0.8
186.14034	1.3
187.11096	3.3
187.14827	2.6
191.10652	4.5
199.14726	0.9
200.11949	0.8
201.16368	100.0
202.16737	3.1
203.17949	7.3
205.12212	1.8
211.14835	1.8
219.17384	4.4
221.16827	0.5
229.15868	15.0
229.19470	1.3
247.16922	30.5
247.20682	1.3
247.24197	0.8
248.07307	0.7
248.17390	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1691
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
53.03925	1.9
55.05508	13.8
57.07061	3.9
60.40188	1.6
62.52146	1.3
66.74585	1.3
67.05505	10.1
68.29169	1.5
69.03418	1.4
69.07063	7.3
71.33942	2.7
79.05503	8.9
81.07045	10.3
83.04964	1.6
83.08601	6.2
91.05466	15.4
93.07037	21.7
95.04952	2.1
95.08587	19.6
97.10154	2.9
105.07018	32.9
107.08575	23.4
107.09243	1.9
109.06512	3.4
109.10139	9.0
111.17337	1.5
115.05447	2.2
116.06227	2.1
117.06995	7.1
118.07813	1.5
119.08575	45.5
121.10153	10.1
123.01306	1.8
123.08048	3.3
125.06027	2.1
129.07011	1.9
130.07771	3.1
131.07634	2.4
131.08556	32.1
133.10124	61.8
135.08037	3.0
135.11636	1.6
139.07518	1.8
143.08534	3.3
144.09302	2.0
145.10112	39.9
147.11635	10.3
149.05956	2.0
149.09602	3.8
151.07492	2.5
153.09120	1.9
157.10132	6.9
158.10844	1.7
159.08034	4.3
159.11674	32.3
161.13226	6.7
163.07498	9.1
163.11005	1.8
165.09106	3.7
171.11679	2.6
172.12447	2.7
173.09608	5.6
173.13239	15.9
175.14896	2.4
177.09099	31.3
177.12852	1.4
179.10736	2.1
186.14046	2.0
187.11166	5.4
187.14864	2.7
191.10666	6.1
201.16368	100.0
202.16760	3.8
203.17892	8.9
205.12091	1.7
211.14833	1.7
219.17415	4.9
229.15845	16.2
229.19438	2.4
247.14618	2.5
247.16887	32.9
247.20795	2.8
250.25726	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1693
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
55.05513	11.8
57.07075	3.2
59.04993	2.2
67.05491	10.0
68.04283	1.6
69.07065	6.7
70.50507	3.2
70.50848	2.6
71.43169	1.6
79.05485	9.3
81.07059	12.3
83.08606	5.3
91.05472	17.1
93.07045	26.3
94.63765	1.8
95.04980	2.5
95.08602	22.0
97.10162	2.6
104.99257	3.2
105.07024	32.3
107.08581	31.4
109.06517	4.2
109.10152	6.4
115.05436	3.6
117.07020	8.0
119.08570	53.7
121.10094	9.5
123.08037	1.8
123.11710	2.5
129.07037	2.5
130.07806	3.4
131.08554	34.4
133.10120	64.6
133.11125	3.1
134.10434	1.6
135.08075	3.1
135.11688	2.1
138.81207	1.6
139.07475	1.5
143.08618	2.9
144.09383	2.8
145.06435	1.9
145.10109	44.1
145.11208	2.8
147.11661	13.7
148.61850	1.8
149.05959	3.0
149.09613	3.3
149.13278	1.6
151.07542	3.4
153.09053	1.6
157.10031	7.5
158.10867	2.1
159.08031	3.8
159.11682	41.7
161.13257	10.5
163.07539	8.7
165.09114	2.9
167.08604	1.9
171.11684	3.3
172.12418	2.9
173.09628	14.0
173.13229	19.7
175.07532	2.7
175.14799	4.6
177.09094	42.5
177.10545	2.9
179.10695	1.7
186.14148	2.6
187.11183	5.8
187.14899	4.4
189.09061	2.3
191.10666	5.9
201.09143	5.0
201.16371	100.0
202.16786	3.4
203.17915	9.4
205.04921	2.5
205.12198	2.1
211.14801	2.4
216.11443	11.0
217.08565	2.0
219.17410	4.0
229.15852	18.2
229.19469	2.8
232.10924	3.5
244.48100	1.4
247.07430	2.0
247.13382	5.6
247.16856	36.8
247.20691	4.4
247.24507	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1693
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
52.15039	1.4
53.03934	3.1
55.05509	69.3
57.07060	1.7
65.03921	1.7
67.01863	8.0
67.05502	8.8
69.07060	7.0
71.04977	1.5
71.32739	2.0
79.05482	9.7
81.07046	10.7
83.04977	75.6
83.08597	5.6
84.05314	2.2
89.84985	1.3
91.05480	23.0
93.07043	19.5
95.04953	2.0
95.08022	1.7
95.08592	20.3
97.06515	1.5
97.10159	2.2
103.05455	1.7
105.07027	32.0
107.04932	2.1
107.08588	25.0
107.11895	1.2
109.01295	1.2
109.06463	1.9
109.10141	6.9
115.05394	2.1
117.07015	9.7
119.08572	59.3
120.08874	1.5
121.06449	1.4
121.10156	11.3
123.08038	1.3
127.55357	1.6
129.06993	2.4
130.07822	1.6
131.08562	33.3
132.05696	2.9
133.10121	48.6
135.08034	4.1
135.11674	2.6
139.07533	2.8
143.08582	2.8
144.09341	3.0
145.06433	2.3
145.10107	35.3
146.10725	2.0
147.08032	36.3
147.11687	11.8
149.05951	2.6
149.09595	5.0
151.07524	1.7
157.10078	3.6
159.08011	5.7
159.11696	39.2
160.12154	1.4
161.09573	1.5
161.13240	5.3
163.07545	7.8
163.11079	1.9
165.09087	3.9
171.11658	2.1
172.12508	2.2
173.09665	6.6
173.13234	16.7
175.14828	3.0
177.09102	33.6
181.04951	21.6
183.11606	1.7
186.14037	2.3
187.11197	5.1
187.14728	2.6
191.10628	5.6
192.07841	1.7
201.16376	100.0
201.88919	1.2
202.16652	4.5
203.17947	6.8
205.12077	2.5
211.14851	2.7
219.13788	1.4
219.17432	4.9
229.15840	14.8
247.09668	2.9
247.13170	6.7
247.16896	47.9
247.20593	2.4
248.17258	2.3
265.07043	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	247.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06587	2.6
59.07374	2.5
60.05633	1.5
70.06221	0.7
70.06590	11.8
70.54137	0.6
70.54491	1.0
71.05002	2.6
71.05317	0.5
72.73775	0.3
88.07623	0.5
89.01244	0.4
89.50762	0.4
112.08714	4.8
117.94163	0.3
118.08647	100.0
119.08966	0.8
130.09755	26.4
145.72751	0.4
247.04243	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.037
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07087	7.9
60.29636	8.8
69.41941	58.8
69.42274	14.3
77.51864	7.9
79.13048	9.7
80.15184	7.5
85.04404	7.6
94.93021	52.9
98.23309	11.8
98.97581	12.0
101.00896	21.6
104.10751	14.6
119.01941	20.1
122.07870	7.6
145.03415	9.8
146.45630	8.0
151.71294	8.0
189.02428	17.1
189.36900	8.8
206.88680	10.0
249.03735	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34857	0.5
51.48702	0.5
55.01865	0.7
57.48072	0.5
58.99849	1.0
69.53239	2.4
69.53659	0.8
70.99845	1.9
73.02878	0.4
75.58114	0.4
79.17485	0.5
82.99828	6.5
83.21468	0.4
85.01403	1.3
86.99322	0.7
87.17555	0.5
87.39321	0.4
98.23293	0.7
101.00876	65.7
102.00962	2.0
103.02440	1.7
105.00346	0.5
113.00864	5.3
115.02425	0.8
119.01916	100.0
120.02009	3.1
121.03516	0.7
127.02417	3.1
131.01900	11.7
133.03429	0.9
137.02963	11.7
141.00337	0.9
142.03500	0.8
143.01891	22.1
144.02020	0.9
145.03452	13.7
147.01372	1.3
149.02953	1.8
155.01846	0.7
157.03499	2.6
159.01392	12.2
161.02953	48.8
162.03082	1.7
163.04530	1.7
171.01375	6.5
173.02957	4.9
175.04509	0.9
177.02434	18.8
178.02625	0.8
179.03972	0.9
183.01329	0.6
184.04686	0.7
189.02434	50.9
190.02655	2.0
191.04041	3.2
201.02440	6.9
207.03497	14.1
219.03490	6.7
220.03491	0.5
231.03511	2.5
247.43376	0.6
249.04541	16.3
250.04613	0.6
266.64246	0.4
267.05664	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.112
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
55.01862	1.2
56.96558	0.6
57.03420	0.9
64.94574	0.4
67.05498	0.9
69.03408	1.2
71.32644	0.7
79.05485	1.5
81.03399	1.1
91.05472	10.2
91.45080	0.3
93.07003	0.5
96.02106	0.6
97.02901	0.5
103.05466	2.7
105.03362	1.0
105.04491	0.5
105.07014	3.9
107.04953	2.2
107.08542	0.4
109.02822	1.1
111.04452	3.5
115.05436	7.8
116.06253	4.6
117.07008	3.3
118.07823	0.5
119.04936	1.5
119.08589	1.1
121.06460	1.1
123.04431	2.2
127.05418	0.4
128.06210	11.0
129.06996	24.7
130.07732	0.5
131.04924	3.5
131.08559	20.8
132.05685	1.3
133.02861	0.8
133.06490	3.9
133.10098	1.4
135.07967	0.6
136.42830	0.4
139.03879	3.5
139.04892	0.5
139.05347	0.5
140.04605	0.6
141.06979	10.9
142.07776	4.2
143.04909	1.6
143.08537	4.0
144.05690	10.9
144.06825	0.8
145.06482	7.0
146.07253	3.3
147.04434	3.2
147.08011	1.3
149.06029	0.5
151.03870	1.1
152.06203	1.3
153.05603	0.7
153.06967	2.6
155.06049	1.1
156.05685	2.9
157.05286	0.8
157.06485	10.8
158.07266	3.9
159.04483	2.1
159.08044	32.1
160.05165	2.0
160.08707	0.7
161.05956	6.5
161.08353	0.7
161.09610	9.4
162.03136	0.6
163.03885	0.8
163.07518	0.6
167.03377	2.3
167.04727	0.7
167.07022	1.4
168.05550	0.5
169.06421	1.8
169.07693	3.7
170.07251	9.2
171.04398	3.1
171.08037	7.0
172.05177	4.5
173.05943	5.8
174.06760	3.4
175.06364	0.4
175.07561	4.1
175.11008	0.5
177.05515	4.1
178.06236	1.9
179.07111	0.8
184.05176	1.2
185.05928	1.0
185.09425	0.5
186.06731	0.8
187.07526	19.5
187.09219	1.1
188.04602	1.1
188.08194	1.8
189.05453	6.2
189.09082	9.6
190.06187	1.6
190.09686	0.6
191.07040	4.3
192.07658	0.5
193.08609	1.5
198.06755	2.4
199.03888	1.2
199.07532	2.8
201.05389	2.2
201.64763	0.4
203.05142	0.6
203.07022	9.9
204.07800	14.6
205.04965	1.1
205.08604	2.1
206.09340	1.5
207.06549	2.1
216.07784	3.9
217.04939	1.6
217.08548	1.6
218.09378	1.6
219.06555	0.5
219.10162	1.3
221.06082	0.5
221.08072	1.4
221.11746	4.0
231.06659	2.0
231.10129	7.6
234.08765	0.8
249.07552	11.0
249.11197	100.0
250.11536	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.112
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
55.05483	0.6
66.42841	0.4
67.05481	1.7
69.03420	1.2
69.07056	0.6
69.19263	3.8
69.19671	0.6
79.05476	1.7
91.04923	0.9
91.05466	9.5
95.04940	1.2
95.08579	2.0
97.02885	0.7
97.06505	0.7
100.95592	0.5
103.05473	2.0
105.07029	5.4
107.04958	2.3
107.08588	0.9
109.06492	0.6
110.12424	0.5
115.05433	5.4
116.06216	5.1
117.07029	4.0
119.04913	1.0
119.08573	1.6
121.06538	0.9
123.08015	0.8
128.06207	10.3
129.06998	23.7
130.07771	0.7
131.04941	3.0
131.08553	20.9
132.05666	1.8
133.06499	3.3
133.10112	2.1
135.08043	0.6
139.05450	0.9
141.06969	10.6
142.07771	5.4
143.04913	1.0
143.08585	3.7
144.05698	10.9
145.06470	5.4
145.10103	0.9
146.03584	0.7
146.07262	3.5
147.04402	1.4
147.08015	1.2
149.05914	0.5
149.09584	1.4
152.06160	1.0
153.06993	2.1
155.06007	2.1
156.05647	2.6
157.06482	11.1
158.07242	3.2
159.04443	1.3
159.08040	31.3
160.05182	1.6
160.08487	1.0
161.05980	4.5
161.09598	9.2
163.07550	0.7
167.07042	1.3
167.10660	0.7
169.06438	1.1
169.07677	3.7
170.07243	8.7
171.04404	2.0
171.08032	6.6
172.05122	3.8
173.05963	4.5
174.06758	3.6
175.03938	0.5
175.07539	3.8
177.05392	0.7
178.06250	0.7
185.05905	1.2
186.06706	1.0
187.07533	21.9
188.04634	0.8
188.08182	1.8
189.05452	4.5
189.09073	10.8
190.06210	1.3
191.07004	2.0
193.08530	0.9
198.06712	2.5
199.07463	3.4
201.05417	2.3
203.07022	8.3
203.14417	0.6
204.07809	14.9
205.08464	2.3
206.09293	0.8
213.12685	1.1
216.07771	4.2
217.08511	1.3
217.22690	0.5
218.09282	0.6
219.10153	2.2
221.08025	1.0
221.11617	3.0
231.10120	7.1
231.13670	0.6
234.08875	1.3
249.11194	100.0
250.11523	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	249.1121
Annotation	Microhelenin E
Peak:m/z	Relative Intensity
55.01858	0.6
55.71683	0.3
57.03429	0.4
59.28502	0.3
67.05488	1.1
69.03410	1.0
69.39567	1.8
73.59722	0.4
79.05482	1.0
81.07026	0.3
81.18464	0.3
84.99702	0.3
91.05477	6.2
95.04922	0.5
95.08579	0.4
97.02865	0.9
98.23367	0.6
103.05463	1.4
105.07017	2.9
107.04929	1.8
107.08638	0.3
115.05433	5.2
116.06226	3.7
117.07021	3.2
118.07792	0.6
119.04891	0.7
119.08582	0.7
121.06477	0.6
123.08074	0.4
128.05312	0.6
128.06218	9.4
129.06998	20.6
130.07751	0.8
130.91423	0.3
131.04907	2.1
131.08560	18.0
132.05678	1.0
133.06491	2.9
133.10136	1.6
135.04356	0.4
135.08009	0.5
139.05421	0.6
141.06982	10.1
142.07777	4.8
143.04893	0.8
143.08585	3.2
144.05696	8.9
145.06503	5.1
146.03554	0.6
146.07263	3.4
147.04404	1.6
147.08009	0.6
152.06189	1.1
153.06952	2.1
155.04893	0.5
155.06017	1.7
155.08371	0.4
156.05659	2.0
157.06480	9.9
158.07254	2.9
159.04375	0.7
159.08046	26.2
160.05219	1.0
160.08551	0.7
161.05969	3.9
161.09605	7.3
163.07468	0.5
167.07059	1.3
169.06441	1.6
169.07704	2.6
170.07251	7.8
171.04385	2.0
171.08041	5.9
172.05170	3.4
173.06010	4.1
174.06772	2.5
175.03905	0.6
175.07526	3.1
177.05450	0.6
178.06262	0.9
181.07658	0.6
182.59669	0.3
184.05255	0.7
185.05959	1.2
185.09525	0.4
186.06691	0.6
187.07533	17.5
187.09232	0.8
188.08127	1.6
189.05479	3.4
189.09076	9.0
190.06216	1.2
191.07047	1.5
192.07738	0.8
193.08563	0.6
198.06769	2.1
199.07504	2.9
201.05441	1.4
203.07028	6.6
204.07809	13.5
204.45471	0.4
205.08580	2.2
206.09351	0.9
216.07809	3.3
217.08574	1.0
218.09367	1.5
219.10144	1.5
221.08116	1.0
221.11702	3.2
231.10152	6.8
231.13771	0.5
234.08804	1.0
249.11203	100.0
250.11559	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	249.1121
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
53.80170	0.3
55.01868	0.4
59.05009	0.3
67.05489	1.0
69.03415	1.3
70.58710	0.7
71.49850	0.3
79.05482	0.7
81.03401	0.7
81.07044	0.5
83.84003	0.3
84.12763	0.3
84.13287	0.3
91.05479	7.9
93.07034	0.6
96.38981	0.3
97.02887	0.6
98.23390	0.3
103.05445	1.4
105.07013	3.6
107.04958	2.2
107.08572	0.9
114.04675	0.3
115.05437	6.3
116.06242	4.4
117.07030	3.0
118.07809	0.6
119.04939	0.4
119.08550	0.6
121.06489	0.5
121.10185	0.4
128.06216	10.3
129.06998	22.2
130.04179	0.4
130.07709	1.2
131.04906	2.4
131.08556	17.7
131.23495	0.4
132.05688	1.2
132.08922	0.5
133.06512	3.3
133.10115	1.8
140.06239	0.4
141.06984	10.6
142.07785	3.7
143.04929	1.1
143.08546	3.9
144.05698	9.5
145.06473	5.7
146.03682	0.4
146.07269	3.3
147.04398	1.4
147.08005	1.1
152.06186	1.2
153.05879	0.5
153.06963	2.5
155.06044	1.9
156.05650	2.1
157.06482	10.1
157.10002	0.4
158.07257	2.3
159.04420	0.7
159.08049	28.2
160.05206	1.4
160.08490	0.7
161.05983	4.4
161.09605	7.4
165.05489	0.4
167.04955	0.5
167.07039	1.0
169.06293	1.7
169.07747	2.8
170.07268	7.9
170.29057	0.3
171.04414	1.6
171.08034	7.1
172.05190	3.0
173.05992	5.1
174.06767	3.4
175.03836	0.5
175.07530	2.9
177.05528	0.5
178.06215	0.9
181.06366	0.6
184.05168	0.7
185.05914	1.0
185.13240	0.5
186.06726	0.6
187.07529	19.6
188.08157	1.3
189.05489	2.8
189.09094	9.5
190.06252	1.3
191.06981	1.1
192.07704	0.5
193.08591	1.1
198.06737	2.1
199.07486	3.0
200.08104	0.4
201.05434	1.7
202.06290	0.4
203.07024	6.0
203.14099	0.5
204.07808	13.4
205.08534	2.5
206.09331	0.9
215.06929	0.5
216.07791	3.8
217.08583	1.3
218.09372	1.5
219.06349	0.5
219.10133	2.4
221.08038	0.8
221.11702	2.8
231.10138	7.3
231.13689	0.6
234.08853	0.9
245.32770	0.3
249.11205	100.0
250.11641	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	249.1485
Annotation	(+)-Terrecyclic acid A
Peak:m/z	Relative Intensity
53.03951	2.0
55.01858	2.1
55.05512	5.0
57.03450	1.0
57.07082	1.4
59.04993	3.7
59.61068	1.0
59.72762	1.0
61.02900	1.3
65.03928	1.1
67.05510	6.9
69.03419	4.4
69.07078	6.0
71.04971	3.4
71.32552	0.9
79.05489	8.0
79.78452	0.9
81.03405	2.7
81.07068	9.2
83.04957	1.3
83.08594	2.4
85.02886	1.7
85.06531	2.2
91.05476	11.6
93.07038	13.6
95.04948	3.3
95.08598	6.9
97.06521	2.6
103.05453	3.9
105.03401	1.5
105.07029	31.6
107.04980	1.1
107.08590	12.1
109.06509	2.5
109.10139	4.3
111.08091	1.0
115.05457	3.7
116.06204	1.9
117.07010	13.8
119.04883	1.5
119.08576	29.2
121.06519	3.5
121.10149	9.6
123.04427	1.4
123.08079	2.7
128.06216	6.3
129.07002	9.7
130.07756	7.2
131.04922	2.2
131.08569	23.3
133.06474	3.8
133.10135	8.9
135.04401	1.5
135.08075	2.3
135.11708	5.1
137.05984	2.2
137.09637	1.5
139.07518	1.4
141.07007	1.8
142.07739	3.1
143.08557	22.0
145.06429	2.2
145.10123	81.4
146.10435	2.0
147.04387	1.2
147.08044	9.9
147.10567	2.0
147.11693	25.9
149.05969	2.6
149.09613	3.7
151.11111	1.2
155.08566	3.6
156.09317	5.6
157.06526	2.8
157.10104	6.8
158.07265	1.8
159.04395	4.0
159.08104	2.9
159.11688	10.2
161.06003	2.5
161.09616	8.7
161.13248	11.2
163.07579	1.8
163.11232	5.7
165.05476	5.5
165.07040	3.3
165.09102	1.6
167.08549	1.1
169.10104	2.5
170.10846	2.3
171.08054	4.6
171.11685	30.7
173.09627	38.4
174.10153	1.7
175.07529	4.7
175.11122	1.4
175.14806	1.7
177.09064	1.2
179.10626	2.3
180.09323	3.1
185.09654	1.3
185.13249	13.8
187.07497	2.0
187.11142	1.7
187.14815	9.3
189.05476	1.2
189.09114	16.9
189.12733	55.7
189.16328	1.9
190.13120	2.0
191.07021	3.8
191.10658	24.9
192.47076	1.2
193.08611	3.4
195.11731	8.7
198.10330	2.5
203.03522	1.2
203.06992	1.9
203.10687	4.9
203.14317	24.9
204.07660	1.8
204.14682	1.6
207.13771	8.3
213.12729	34.2
214.13110	1.7
221.11671	2.4
231.10130	2.6
231.13794	56.7
231.17270	2.2
232.14217	1.5
249.05458	1.6
249.07671	2.9
249.11314	11.1
249.14839	100.0
249.18488	6.3
249.22142	2.3
250.15100	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	249.1849
Annotation	Hexadeca-4,7,10,13-tetraenoic acid
Peak:m/z	Relative Intensity
53.03943	6.4
55.01852	1.5
55.05507	8.1
57.07054	1.4
59.04991	1.2
61.31165	1.1
65.03925	1.1
67.05160	1.8
67.05502	29.2
69.07063	7.6
71.04971	2.4
71.33069	1.2
77.03900	1.6
79.05489	55.3
80.05017	1.7
81.03414	1.6
81.07050	18.1
83.04960	2.8
83.08608	4.2
90.61556	1.2
91.05472	39.2
93.07040	100.0
94.07374	1.6
95.04964	9.7
95.08594	14.4
97.06497	5.6
97.10153	2.1
99.08093	1.1
105.04479	2.7
105.07012	11.0
107.07917	2.2
107.08594	30.8
109.10140	4.6
111.08098	3.0
117.06995	2.6
118.45110	1.2
119.08546	9.3
121.06449	1.3
121.10136	48.7
122.54701	0.9
123.08045	4.5
123.11732	1.4
128.06213	1.9
129.07001	4.2
130.92273	1.1
131.08575	7.0
131.12436	1.1
133.06465	1.5
133.10110	10.5
135.08046	3.6
135.11693	16.3
137.09636	2.9
143.08655	1.1
145.10133	2.7
147.11678	10.5
149.09608	3.9
157.10155	2.2
159.11667	1.2
161.09634	3.5
163.11189	1.9
165.12764	2.4
167.10631	1.1
171.11615	2.1
185.01675	1.1
185.13344	1.4
189.09071	3.2
189.16403	1.4
203.14363	2.0
203.17961	1.9
213.16483	5.8
221.11736	3.2
231.17455	4.3
240.42456	1.0
249.15921	2.3
249.18501	45.0
249.24097	6.4
250.18828	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1849
Annotation	Hexadeca-4,7,10,13-tetraenoic acid
Peak:m/z	Relative Intensity
51.02377	1.6
53.03935	4.6
55.01859	3.4
55.05507	12.0
57.03411	2.4
57.07057	3.5
57.70301	1.4
67.05504	52.0
69.07074	10.2
69.65721	6.8
71.04987	2.2
79.05489	60.6
81.03413	1.7
81.07050	36.4
83.04979	1.5
83.08612	8.6
85.06539	7.5
87.15817	1.5
91.05474	38.8
93.07040	77.2
94.07359	1.8
95.04958	9.3
95.08604	23.4
97.06527	5.0
97.10122	2.1
99.08091	3.7
105.04518	2.7
105.07020	16.7
107.04932	1.8
107.08588	41.5
109.06506	6.1
109.10168	9.4
111.08053	4.4
113.09658	2.0
115.01545	1.4
117.07006	2.7
119.08558	16.1
121.06479	2.5
121.10136	85.2
123.08028	3.9
125.09637	2.9
128.06198	5.4
129.06985	4.8
131.08548	12.8
133.06445	2.0
133.10114	20.5
135.08055	7.3
135.10725	2.5
135.11690	31.7
137.09622	11.6
141.06929	1.7
142.07735	1.8
143.08569	3.9
145.06520	2.0
145.10100	7.9
146.07231	1.4
147.08015	2.4
147.11671	15.3
149.09607	9.2
149.13211	2.6
151.07565	1.9
151.11162	5.7
153.09131	2.7
157.06522	2.0
157.10110	3.3
159.08044	3.7
159.11624	2.2
161.05939	2.5
161.09651	8.3
163.11159	6.5
165.12755	10.3
167.10649	3.0
171.08061	2.3
171.11688	3.2
174.06763	5.6
175.11203	2.1
177.09186	1.4
179.07054	1.8
179.10713	2.0
185.13239	4.0
187.07512	4.1
189.09094	11.9
189.12743	2.3
189.16338	2.4
203.14345	2.9
203.17908	4.2
204.07742	1.5
213.16350	9.3
217.08430	3.1
221.05981	2.1
221.11758	2.3
228.02368	1.4
231.10291	1.6
231.13792	2.7
231.17453	15.0
234.06606	1.7
249.09219	2.2
249.11111	41.4
249.14848	4.0
249.18483	100.0
249.96103	1.8
250.11394	1.6
250.18768	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	249.1848
Annotation	Hexadeca-4,7,10,13-tetraenoic acid
Peak:m/z	Relative Intensity
51.74519	1.0
52.92619	1.0
53.03957	2.4
55.01864	3.2
55.05288	1.0
55.05511	12.3
57.07065	1.0
58.13193	0.9
65.03922	2.6
67.05502	51.8
69.07064	11.5
71.04992	2.3
71.08620	1.3
71.33908	1.1
79.05489	67.6
80.05835	1.2
81.03404	2.1
81.07051	44.8
83.04982	3.6
83.08621	10.4
85.06528	4.3
91.05476	38.0
93.07039	90.8
94.07348	1.4
95.04975	7.6
95.08600	33.0
97.06502	4.4
97.10162	2.0
99.08094	6.2
105.04467	1.7
105.07019	17.3
107.04996	1.9
107.08586	48.7
109.06499	3.1
109.10152	11.7
111.08080	6.1
113.09624	1.7
117.07034	5.1
119.08582	13.5
121.06530	2.2
121.10137	99.0
122.10478	2.1
123.08060	6.3
123.11730	2.2
124.21883	1.1
125.09626	2.8
129.06969	2.4
131.08551	8.8
133.06480	1.3
133.10121	15.9
135.08066	5.8
135.11685	33.9
137.09599	14.9
139.07494	1.6
139.11180	2.3
143.08540	1.8
145.10117	5.6
147.08069	1.7
147.11685	9.4
149.09627	9.9
149.13255	9.9
151.11145	7.1
153.09105	4.3
157.06453	1.2
157.10143	2.8
159.11713	1.3
161.09608	2.7
161.13228	2.9
163.11166	2.4
163.14795	4.2
165.12744	1.4
167.10666	3.3
171.11708	3.5
175.11253	1.2
175.14838	2.3
185.13258	2.9
189.09137	1.2
189.12788	1.9
189.16386	2.6
203.14301	1.0
203.17957	4.3
207.13802	1.7
213.16367	9.6
231.10176	1.9
231.17426	11.5
231.21054	1.4
232.17865	1.1
249.05447	1.8
249.09041	1.5
249.11420	4.8
249.18494	100.0
249.22258	9.4
249.25203	6.8
250.18793	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0913
Annotation	azanigerone E
Peak:m/z	Relative Intensity
53.03947	2.0
55.01857	0.9
57.03449	0.5
63.68930	0.4
67.05494	1.1
69.03429	1.1
69.07072	0.9
71.04986	0.6
71.32452	0.6
79.05485	1.8
81.07063	1.8
89.03918	5.8
90.03796	0.5
90.81474	0.4
91.05482	3.1
93.03385	0.5
93.07038	1.7
95.04953	1.0
95.08615	1.2
98.98465	74.1
103.05473	1.3
105.04566	0.6
105.07011	2.9
107.04928	1.2
107.08585	1.2
109.06522	0.8
109.10164	0.7
111.04366	0.6
115.05444	1.9
116.06244	0.6
116.99514	2.0
117.02558	0.8
117.03383	14.3
117.07013	1.7
117.27411	0.4
119.04946	0.8
119.08575	0.9
121.06503	2.9
121.10114	0.7
123.08084	0.7
128.06230	0.9
128.11194	0.5
131.04912	1.2
131.08578	0.8
133.06483	1.5
133.10095	0.7
134.03616	2.2
134.07143	0.5
135.04404	1.4
135.08069	1.0
135.11618	0.5
137.05946	0.9
144.05719	0.6
145.02844	23.7
145.06473	1.6
145.10118	1.1
146.07265	0.7
147.08073	1.2
149.05978	3.7
149.09616	1.5
151.03976	0.5
153.05554	0.5
159.04443	0.5
159.08096	0.7
159.11658	0.7
160.05203	2.2
161.05998	3.7
162.03134	3.5
162.06758	3.7
163.03780	0.6
163.07529	1.0
167.07036	0.6
172.05209	0.5
173.05937	1.2
173.13403	0.8
174.06816	1.2
174.99228	2.0
175.03902	0.8
175.07533	3.3
176.08466	0.5
177.05473	26.5
177.09143	1.6
178.05844	0.9
180.05739	0.5
181.04951	17.0
182.53180	0.6
187.07584	0.7
189.05443	1.1
189.12889	0.5
190.06248	9.8
190.07866	0.9
191.06824	0.5
191.09335	0.5
193.08585	1.4
195.08087	0.6
201.05447	1.0
203.07080	0.6
205.08601	12.3
205.12180	0.9
207.06538	0.7
215.06978	0.6
215.32439	0.5
218.05722	2.1
219.06462	1.3
223.07619	0.5
231.06509	2.9
233.08075	100.0
234.08397	3.2
236.04771	0.7
251.06897	2.6
251.09157	7.0
251.16422	1.5
251.20154	0.6
252.12318	1.9
274.10641	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1277
Annotation	Pterosin Q
Peak:m/z	Relative Intensity
53.03932	1.2
55.01861	0.8
55.05502	0.6
57.03412	0.6
59.04995	15.2
61.81220	0.6
63.19882	0.5
64.65701	0.5
65.03922	0.5
67.05485	2.1
69.07085	2.9
70.54755	1.6
71.04954	0.5
72.03313	0.5
77.03909	0.6
78.04691	1.9
79.05488	10.9
81.07056	4.3
83.04926	0.5
91.05467	6.2
93.07034	1.9
94.67276	0.5
95.04945	1.5
95.08580	2.2
97.06542	0.5
98.98459	33.5
103.05481	1.5
104.06262	0.7
105.03382	0.6
105.07028	7.8
106.04147	1.4
107.04946	28.6
107.08597	0.7
108.05247	0.7
109.06500	0.6
109.10108	0.7
115.05434	8.1
116.06273	0.6
116.99466	0.9
117.07005	5.1
118.04174	0.7
119.08579	2.4
121.06487	3.1
122.03642	1.1
123.04417	3.9
124.05241	4.2
125.06005	2.0
128.06207	3.8
129.06972	4.1
130.07774	6.8
131.04886	1.7
131.08537	3.1
132.05659	2.7
133.06479	3.7
133.10095	0.6
134.03627	1.3
135.04388	1.2
135.08058	0.9
137.05956	0.8
140.04710	1.0
141.06981	1.7
143.04958	2.7
143.05916	0.7
143.08546	10.7
144.05676	2.1
145.06493	7.0
145.08942	0.9
145.10110	18.4
146.03625	4.2
146.07303	0.9
147.08020	6.3
149.06007	1.2
150.06261	0.5
151.03873	1.6
152.04698	4.3
153.06902	1.0
155.07169	0.9
155.08511	4.9
157.06432	1.7
158.07249	22.0
159.04424	0.6
159.07996	3.6
160.05194	5.4
161.05940	7.3
161.09610	1.0
162.06714	1.0
163.03848	0.7
163.07471	0.6
163.11194	2.3
166.06244	0.7
167.07021	100.0
168.07376	2.1
171.04465	0.6
171.08043	1.5
172.08766	0.6
173.09605	36.9
174.06648	1.1
174.09935	1.0
174.99155	1.1
175.07533	14.7
177.03989	0.6
177.05428	2.7
177.09074	3.2
178.06244	14.8
179.06789	0.7
180.04240	1.1
181.04924	5.3
181.08598	7.1
183.09146	2.1
186.06767	3.5
187.07347	0.5
189.09041	2.1
190.09811	1.9
191.10631	4.4
192.07796	23.9
193.04793	0.7
193.08565	9.8
195.06523	4.0
201.09082	58.8
202.09393	1.6
203.07056	1.1
206.09492	0.9
207.06534	1.6
207.10129	11.9
208.07211	0.7
218.09393	2.4
219.10158	11.0
221.08124	0.5
221.11714	1.3
222.08919	0.9
223.13292	2.2
233.11696	20.7
233.15244	0.9
234.12144	0.7
236.10289	3.2
248.32391	0.5
251.12759	64.7
252.13062	2.4
263.52402	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.8
55.01864	4.9
55.05511	3.0
58.20364	1.5
59.38283	1.2
65.03931	2.5
67.05507	10.2
69.03429	4.6
69.07063	6.5
69.49064	7.7
71.04994	8.2
73.06555	1.5
76.77373	1.4
77.03909	1.5
79.05484	21.4
81.07055	28.7
83.04974	6.2
91.05467	17.7
93.07043	21.0
95.04971	10.9
95.08605	6.1
97.06503	8.2
98.97810	3.0
98.98462	60.5
99.04464	5.5
103.05422	3.3
105.07029	39.5
107.04952	16.4
107.08591	13.9
109.06519	19.4
109.10117	1.5
113.06014	2.3
115.05464	4.8
115.47667	1.4
117.03336	1.5
117.07000	9.6
119.04942	4.7
119.08610	10.4
121.06483	22.0
121.10145	5.5
125.05995	4.7
127.07539	2.1
129.06990	4.1
130.07788	5.2
131.08527	14.4
133.06502	12.6
133.10170	2.7
133.33948	1.5
135.08073	4.3
135.11702	6.0
137.05971	20.6
139.07549	5.2
143.08562	4.9
144.09306	3.2
145.06477	6.1
145.10115	60.1
147.08067	3.1
147.11682	3.4
148.08841	4.7
149.05969	2.1
151.07510	2.4
154.07724	3.2
155.08595	2.4
155.90308	1.4
157.10146	1.7
158.07292	4.6
159.07941	2.2
159.11681	19.1
160.07626	5.7
161.05965	11.2
163.11179	100.0
164.11525	2.9
167.07054	6.0
169.10065	7.1
171.11720	2.2
172.08917	2.6
173.06099	1.4
173.09618	26.0
174.99159	1.8
177.05473	5.3
177.12825	2.9
179.08638	1.6
181.12195	2.0
187.11171	40.4
189.12799	1.7
191.09268	4.3
191.10684	16.1
193.08545	14.3
197.09546	6.7
205.12230	15.8
210.11235	1.7
215.10689	29.3
219.08833	1.8
233.11703	19.7
237.09985	2.3
248.19348	1.8
251.12808	9.4
252.12274	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	251.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.8
55.01878	3.9
55.05509	7.4
57.03425	3.0
57.07063	1.3
59.05001	1.5
65.03921	2.3
67.05506	15.0
69.03429	6.9
69.07072	7.7
69.12813	8.5
69.13123	1.3
71.04996	7.1
73.65418	1.2
79.05496	17.6
81.03403	5.0
81.07055	21.0
83.04979	3.3
83.08620	2.7
85.02890	1.4
85.06554	6.2
91.05470	17.4
93.07047	25.9
95.04967	14.2
95.08604	16.1
97.06527	6.9
97.10195	1.1
98.98467	100.0
99.04475	2.7
99.08109	1.6
103.05481	2.2
105.07026	22.0
107.04961	5.8
107.08603	17.1
109.06506	16.9
109.07211	1.2
109.10147	7.2
111.04456	1.3
111.08090	5.4
113.06017	1.9
115.05429	2.3
116.99537	1.8
117.03403	1.4
117.07008	9.1
119.04951	4.7
119.08575	13.9
121.06506	14.3
121.10144	8.4
123.04431	2.6
123.08060	3.1
123.11744	1.8
125.06055	2.7
125.09654	1.8
127.07541	5.1
128.06242	1.4
129.07008	3.6
130.07791	3.3
131.04921	1.3
131.08565	16.0
133.06473	5.6
133.10115	7.3
135.04477	2.1
135.08051	5.3
135.11697	5.5
137.05980	7.2
137.09621	8.6
139.07503	8.1
139.11195	1.5
141.06973	1.7
143.08582	2.7
144.09367	3.2
145.02885	2.2
145.06490	4.5
145.10132	26.0
147.04387	1.6
147.08041	2.4
147.11697	6.7
149.05963	1.9
149.09636	4.1
149.13277	3.0
151.03908	1.2
151.07603	2.5
151.11211	2.1
153.09009	1.6
154.07765	1.9
155.08502	1.7
157.08638	4.5
157.10011	2.0
158.07265	3.2
159.08090	2.6
159.11694	14.1
161.06017	2.3
161.09650	1.5
161.13289	2.2
163.07545	3.1
163.11165	7.1
163.14876	1.3
165.06981	2.6
165.09137	1.5
165.12726	1.4
167.03389	2.6
167.07137	2.6
167.08505	2.5
169.10168	5.2
171.11737	1.5
172.08867	1.8
173.06059	1.6
173.09612	10.0
173.13287	2.5
174.99225	1.8
175.11121	1.1
177.05490	3.3
177.06961	1.7
177.12761	4.6
179.08534	2.4
181.06514	1.4
182.07303	2.2
187.11191	26.2
187.12907	1.4
187.14845	3.7
189.12866	1.4
191.07014	2.1
191.10683	9.7
191.14363	1.8
193.04860	1.2
193.08582	1.9
195.08125	2.7
195.11711	1.2
197.09668	5.5
197.13359	1.5
205.06635	1.5
205.08476	1.7
205.12230	13.3
205.15887	1.8
207.06538	1.8
208.08833	2.5
215.10689	17.8
215.14268	3.4
215.17995	1.8
219.08186	1.3
223.07510	2.7
223.13191	1.2
224.08203	1.0
233.07904	1.5
233.11708	9.8
233.15323	7.7
233.19058	2.3
236.08467	1.6
251.07170	8.9
251.08971	3.2
251.10641	6.0
251.12846	16.1
251.16217	10.2
251.20091	4.1
251.23701	1.1
252.07803	3.3
252.12259	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1278
Annotation	Pterosin Q
Peak:m/z	Relative Intensity
53.03945	1.2
55.01866	0.9
55.05515	0.9
59.04999	8.7
65.03944	1.0
67.05502	3.4
69.03428	0.8
69.07063	3.6
71.04989	1.4
75.97512	0.5
78.04717	1.6
79.05044	0.9
79.05495	12.0
81.07057	6.0
91.05476	6.4
93.07042	4.2
95.04958	2.5
95.08600	3.5
96.05745	0.6
97.06544	1.6
98.98467	94.1
100.52849	0.6
103.05465	1.9
105.07030	6.8
106.04137	1.1
107.04957	26.3
107.08596	2.4
109.06515	1.4
109.10166	1.8
115.05452	5.5
116.06276	0.9
116.99510	2.4
117.06993	3.8
119.08553	3.8
121.06526	3.1
121.10126	1.3
123.04452	4.2
123.11665	0.8
124.05214	5.6
125.05988	2.3
128.06221	1.8
129.07001	2.5
130.07794	3.8
131.04912	1.8
131.08591	4.1
132.05695	0.9
133.06499	3.8
133.10124	1.3
135.04390	1.2
135.08043	1.8
135.11664	1.0
137.05984	1.0
137.09691	0.9
140.04709	0.9
141.06946	1.5
143.04961	1.5
143.08556	7.3
144.05724	1.5
145.06496	5.8
145.10126	12.8
146.03635	2.4
147.04401	0.6
147.08040	5.2
147.11662	0.6
149.05994	1.6
149.09628	1.4
149.13216	0.7
151.03902	2.7
152.04684	2.2
153.06992	0.7
154.07764	0.7
155.07237	0.7
155.08553	2.9
157.06487	1.0
158.07262	15.0
159.08076	3.0
159.11778	0.9
160.05228	3.1
160.07544	0.7
161.05984	6.0
161.09573	0.7
162.06735	0.9
163.03860	1.9
163.07561	1.2
163.11159	3.3
166.06252	1.1
167.07039	100.0
168.07388	2.3
171.07976	0.7
173.09627	22.7
173.13217	0.9
174.06740	0.8
174.99190	2.4
175.07559	9.5
177.05460	3.0
177.09061	2.1
178.06230	6.9
181.04961	9.9
181.08572	6.4
183.09151	1.4
186.06779	1.8
187.14886	1.5
189.09047	1.9
190.06313	0.9
190.09927	1.5
191.06940	1.3
191.09203	0.7
191.10724	4.0
192.07822	13.3
193.08592	7.2
195.06505	2.3
201.09103	29.0
202.09489	0.9
203.06992	0.7
205.08678	1.1
207.06563	1.4
207.10161	7.2
209.08058	2.1
215.14229	1.2
218.09380	2.1
219.10149	10.3
221.08231	0.7
223.13289	1.2
233.11713	11.7
233.15297	1.0
233.19112	0.7
236.10405	2.7
251.07043	1.4
251.12787	57.3
251.20030	1.4
252.12558	3.8
252.15593	1.2
258.20511	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1276
Annotation	Pterosin Q
Peak:m/z	Relative Intensity
53.03939	1.5
53.93586	0.4
55.01865	2.2
55.05502	2.1
56.85431	0.4
59.04993	1.1
65.03941	0.9
67.05503	5.5
69.03429	1.7
69.07067	1.7
70.23541	1.3
70.23897	0.8
71.04993	3.0
79.05487	8.1
80.40495	0.6
81.03405	1.6
81.07050	9.4
83.04957	1.5
83.08604	0.7
85.06551	3.2
91.05473	7.1
93.07041	12.8
95.04967	7.8
95.08610	3.1
97.06525	4.2
98.98463	100.0
99.04452	2.9
103.05440	1.6
105.07026	13.9
107.04958	3.2
107.08584	4.1
109.06515	9.1
109.10143	0.5
111.08102	2.3
113.06017	1.1
115.05443	1.8
116.06222	0.6
116.99526	3.0
117.07006	4.2
119.04903	3.0
119.08585	4.1
121.06504	9.6
121.10133	1.4
123.04411	0.9
123.08100	1.8
125.05952	1.4
127.07527	2.7
128.06163	0.7
129.07018	2.2
130.07782	1.8
131.04854	0.5
131.08560	8.3
133.06462	2.8
133.10150	1.8
135.08054	1.8
135.11720	1.0
137.05977	4.8
139.07539	6.2
141.06995	1.7
143.07054	0.6
143.08597	2.7
144.09335	1.5
145.06503	3.3
145.10114	17.3
146.10411	0.8
146.54845	0.5
147.08089	1.0
147.11691	1.4
149.05966	0.8
149.09665	1.1
151.07576	2.4
152.06181	0.9
154.07793	2.1
155.08540	0.8
157.08618	3.4
158.07303	1.9
159.08025	2.3
159.11670	7.7
161.05983	1.7
161.09560	0.8
163.07567	1.4
163.11189	4.0
165.07060	0.6
167.07040	1.5
167.08482	0.6
169.10089	3.7
171.11725	0.7
172.08849	1.2
173.06113	0.6
173.08095	0.9
173.09610	7.6
174.99199	2.8
175.07437	0.8
177.05482	1.6
177.12752	1.7
179.08557	1.4
181.06528	0.9
182.07312	1.0
187.11177	16.7
187.14769	1.3
188.11490	0.8
191.07016	0.6
191.10718	4.4
192.07867	0.6
193.08621	0.7
197.09587	4.5
201.09076	1.6
202.16432	0.5
203.14281	0.5
205.06668	0.6
205.08701	0.5
205.12230	7.2
215.10660	13.3
215.13976	0.7
221.08144	0.6
223.07570	1.5
233.11702	6.7
233.15303	1.0
251.06984	3.6
251.10561	0.9
251.12781	7.9
251.16409	1.7
252.07655	0.5
252.12521	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1277
Annotation	Pterosin Q
Peak:m/z	Relative Intensity
53.03936	1.2
55.01870	2.3
55.05505	2.0
59.04992	1.5
67.05491	6.2
69.03427	3.0
69.07063	2.2
69.09876	5.2
71.04987	4.2
77.01608	0.6
79.05492	8.3
81.03403	2.2
81.07059	10.5
83.04968	1.6
83.08604	1.0
85.06539	3.8
91.05476	7.0
93.07040	15.1
95.04971	7.3
95.08586	3.4
97.06530	4.2
98.98462	100.0
99.04456	3.7
103.05441	0.6
105.04457	0.7
105.07022	12.8
107.04948	5.4
107.08594	5.7
109.06520	9.4
109.10129	0.8
111.04410	0.9
111.08068	3.4
113.06027	1.2
115.05451	1.2
116.06299	0.7
116.99507	2.3
117.07026	4.5
119.04956	3.8
119.08570	4.5
120.76576	0.5
121.06496	8.9
121.10142	2.0
123.04401	1.1
123.08073	1.9
123.11685	0.7
125.06029	1.4
127.07555	2.5
128.06227	1.2
129.07013	2.6
130.07762	2.6
131.04906	0.7
131.08562	7.0
133.06480	2.7
133.10132	1.8
135.04430	0.8
135.08052	2.3
135.11688	1.5
137.05933	4.2
137.09628	0.7
139.07521	7.1
141.06984	0.7
143.08571	2.9
144.09315	1.3
144.38588	0.6
145.02834	0.7
145.06477	3.5
145.10112	18.9
147.08083	1.4
147.11676	1.0
149.05959	1.0
149.09616	0.9
151.07527	1.8
152.06186	0.8
153.06943	0.7
154.07721	1.5
155.08549	1.4
157.06566	1.0
157.08604	3.5
157.09966	1.2
158.07283	1.9
159.08057	2.6
159.11679	10.8
160.05177	0.9
161.05994	1.9
161.09592	1.0
163.07576	1.5
163.11157	3.8
165.07002	0.9
167.07065	1.5
167.08527	1.4
169.10170	4.0
171.11681	0.8
172.08827	1.4
173.09604	7.2
173.13359	0.6
174.99223	2.6
175.07449	0.9
177.05431	1.2
177.12727	2.1
179.08598	1.9
181.06525	0.9
182.07216	1.0
187.11182	20.0
187.14763	1.0
188.11708	0.6
190.07858	0.6
191.07016	1.1
191.10696	5.3
192.07805	0.9
193.08554	0.9
195.08145	0.7
197.09615	5.5
201.09091	1.5
205.06514	0.7
205.12213	9.4
207.06541	0.7
208.05199	0.9
209.08105	0.8
215.10663	15.1
215.14081	0.9
223.07529	1.7
233.08003	0.8
233.11713	7.0
233.15387	2.1
236.04524	0.6
243.70482	0.7
251.07048	4.0
251.12794	10.8
251.16335	2.7
252.12354	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	251.1277
Annotation	2,3-Dehydroillifunone
Peak:m/z	Relative Intensity
53.03946	2.0
54.87148	1.1
55.01860	1.4
55.05502	5.3
57.03457	1.1
57.07087	2.5
66.50421	1.1
67.05498	10.4
67.75802	1.2
68.99823	1.4
69.03445	2.6
69.07089	5.7
71.04988	3.6
71.30976	2.0
78.48940	1.1
79.05482	5.4
81.07060	6.9
83.08634	2.8
85.06551	4.3
87.04475	1.7
91.05507	2.2
92.44346	1.2
93.07044	4.9
95.04974	7.9
95.08600	6.1
97.06528	7.4
98.98461	35.1
105.07029	3.8
107.08616	6.6
108.08818	1.3
109.06519	3.5
109.10192	3.3
111.04393	1.3
111.08067	1.9
113.06004	20.8
117.07030	2.3
119.08607	2.3
121.06499	3.8
121.10158	5.3
123.04438	2.6
123.08022	1.2
123.11719	1.6
125.09648	2.2
131.08543	1.4
133.10085	1.7
135.04469	1.8
135.08063	4.8
135.11696	3.0
137.06041	2.1
137.09592	1.4
137.24304	1.2
139.07570	2.8
139.11211	1.2
141.05452	1.3
145.10138	2.0
149.06004	3.6
149.09657	2.8
153.12747	1.9
161.05965	1.3
163.03920	2.4
163.07567	12.9
163.11192	3.4
165.05684	1.1
167.10715	2.2
173.06012	2.1
177.05440	10.0
177.09146	1.8
178.06250	35.4
178.07748	2.3
179.06786	2.0
181.08693	1.6
191.07030	41.6
191.10678	3.6
195.10201	1.2
205.08626	2.2
205.12253	11.2
209.08072	4.3
215.10690	2.4
218.09393	2.4
226.50037	1.1
233.09409	3.0
233.11720	56.4
233.15265	2.1
251.12816	100.0
251.16385	14.6
251.20142	3.5
252.13150	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	251.1278
Annotation	Methylripariochromene A
Peak:m/z	Relative Intensity
53.03947	0.2
55.01861	0.6
55.05497	0.7
57.07060	0.3
59.05006	2.8
61.71099	0.2
65.03924	0.3
67.05504	1.8
69.03429	6.0
69.07053	0.7
69.91605	0.3
71.04987	2.4
79.05499	1.9
81.07043	1.3
83.04955	1.0
83.08618	0.7
85.06535	0.4
87.04474	3.7
91.05479	2.6
93.03400	1.1
93.07046	2.1
95.04949	0.8
95.08606	2.5
97.06540	0.4
98.23345	0.4
98.98471	11.2
99.04446	0.8
105.07024	2.2
107.04966	0.6
107.08596	5.6
109.06511	1.1
109.10156	1.3
111.04442	5.0
111.07393	0.2
111.08074	1.4
113.09633	2.0
115.03898	0.4
115.05444	0.8
116.99495	0.4
117.07023	1.8
119.08581	2.0
121.06493	2.6
121.10141	1.3
123.04417	0.5
123.08076	1.3
123.11688	0.3
125.09658	1.1
129.06999	0.5
129.41435	0.3
130.37012	0.3
131.06058	0.2
131.08557	1.1
133.06532	0.3
133.10080	0.6
135.04390	0.5
135.08055	13.4
135.11678	1.0
136.08803	0.5
137.09637	3.1
138.09993	0.3
139.03906	0.3
139.07541	2.8
143.08565	0.3
144.09331	1.0
145.06441	0.4
145.10136	1.5
146.07274	0.3
147.08034	0.6
147.11656	0.4
149.05948	0.5
149.09618	1.1
149.13202	0.8
151.07471	0.6
153.09093	2.7
159.08081	0.4
159.11690	3.6
163.07544	17.9
163.11188	2.7
164.08105	0.8
165.05412	0.2
165.09088	1.1
167.07013	0.6
172.08856	0.3
173.09592	0.4
177.09077	0.3
177.12753	1.9
181.08601	3.3
181.12175	0.7
183.02870	0.5
187.11195	1.1
189.12755	0.9
191.10689	3.2
193.08655	0.3
195.13802	0.9
199.09648	1.9
205.12222	2.8
207.13757	0.7
209.08266	0.2
209.11731	4.8
215.10590	0.3
223.13268	3.1
228.73817	0.3
233.11726	0.7
233.15399	0.7
236.68054	0.2
251.12778	100.0
252.13135	3.9
255.76654	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1642
Annotation	Alpinolide
Peak:m/z	Relative Intensity
53.03934	1.1
55.01866	1.2
55.05511	6.4
57.03426	1.1
57.07084	4.3
59.04993	2.2
65.03941	1.1
67.05503	17.7
68.82536	0.8
68.99792	1.7
69.03427	2.1
69.07070	14.7
69.62589	4.2
71.04981	4.1
79.05492	14.3
81.03423	1.0
81.07057	20.4
83.04977	5.0
83.08627	4.9
85.06541	2.9
91.05476	8.5
93.07043	14.1
95.04970	3.6
95.08604	21.6
97.06532	14.1
97.10161	1.8
98.98467	100.0
99.04435	1.4
99.08096	2.8
103.05461	1.0
105.04484	1.1
105.07032	12.9
107.04953	15.6
107.08591	24.8
109.06512	3.4
109.10152	12.4
111.04452	1.3
111.08094	2.3
113.09601	1.1
116.99503	2.3
117.07025	2.0
119.08555	9.7
121.06509	2.8
121.10142	10.7
123.08055	3.2
123.11665	2.0
125.05991	79.1
125.09621	8.8
125.86935	0.8
127.07598	1.1
127.11182	1.4
131.08574	10.6
133.06482	1.3
133.10130	9.0
135.04373	0.9
135.08038	7.5
135.11685	5.1
137.05971	1.4
137.09610	6.5
137.13203	1.2
142.07785	0.8
143.07034	5.4
143.08624	1.1
145.10124	8.3
147.08054	4.1
147.11682	6.8
149.06041	1.3
149.09613	23.8
149.13284	2.9
152.06189	1.1
153.09111	21.7
153.10268	1.4
156.09372	0.9
157.10124	2.1
158.07291	1.0
159.08084	1.0
159.11717	2.6
161.13245	2.1
163.07533	3.3
163.11220	4.4
163.14813	2.0
165.09132	2.3
165.12813	1.0
167.07050	4.9
167.10638	0.9
167.71169	0.9
171.11642	1.4
173.09660	3.5
173.13274	11.4
174.99258	3.3
175.11221	7.2
177.05557	1.2
177.09200	1.9
177.12700	1.6
177.16348	1.7
181.05098	1.0
181.12221	1.1
187.14816	6.9
189.12810	5.0
189.16298	1.2
191.10645	2.9
191.14304	35.3
192.07819	1.0
193.12265	2.1
195.11729	1.5
197.13240	2.2
201.09192	1.2
205.08681	1.9
205.12102	1.2
205.15918	7.8
208.08765	1.2
209.11664	1.7
209.13516	1.2
215.14363	4.7
215.17900	2.0
223.09543	1.1
233.11833	1.7
233.12811	0.9
233.15340	13.5
233.18980	2.2
236.08475	1.0
251.07068	3.3
251.10513	3.9
251.12843	8.9
251.16452	32.1
251.20183	5.9
252.16833	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1642
Annotation	Sch 725434
Peak:m/z	Relative Intensity
53.03942	0.4
55.01860	0.3
55.05512	1.0
55.71172	0.1
57.03427	0.5
57.07076	1.1
59.04996	1.4
65.03951	0.2
67.05503	2.3
69.03433	0.9
69.07066	2.6
71.04993	1.0
71.17371	0.1
71.31528	0.2
73.06548	0.5
76.43592	0.1
79.05494	3.1
81.07056	3.8
83.04980	1.5
83.08619	0.6
85.06546	0.4
87.04471	1.3
91.05473	2.0
92.05837	0.1
93.07043	7.9
94.07365	0.1
95.04957	0.3
95.08606	3.7
97.06528	6.6
97.10151	0.3
98.98468	6.8
99.04443	0.3
103.05437	0.2
103.69723	0.1
105.07024	2.0
107.04948	1.7
107.08590	9.7
108.08939	0.2
109.06540	0.7
109.10144	2.3
111.04411	0.2
111.08083	3.1
111.11672	0.1
115.03931	0.2
117.07011	0.4
119.02543	0.1
119.08562	1.4
120.09361	0.3
121.06511	0.8
121.10143	12.8
122.10459	0.3
123.08071	1.1
123.10892	0.2
123.11711	1.9
125.06002	2.5
125.09625	3.5
131.08577	0.7
133.10139	0.6
135.08076	0.9
135.11690	5.7
136.11964	0.2
137.09610	1.2
137.13245	0.5
139.07536	0.9
139.11177	3.9
143.08513	0.1
145.10129	1.0
147.11646	0.3
149.09613	4.8
151.11169	0.3
152.08289	0.3
152.97343	0.1
153.09113	1.9
153.12738	4.3
157.10115	0.2
158.10854	0.1
159.07951	0.2
159.11696	0.3
161.09520	0.2
163.11180	2.8
163.14803	0.2
164.11969	1.2
165.12724	0.2
167.10677	9.8
173.09592	0.1
174.99197	0.2
177.09117	2.8
177.12695	0.2
181.12224	4.2
182.36244	0.1
183.10182	0.2
187.14735	0.6
191.10637	0.2
191.14301	0.2
195.10156	7.6
196.10533	0.2
200.12001	0.2
205.15868	0.9
208.14677	0.3
209.11707	0.4
209.15320	0.7
223.16943	1.6
233.15376	0.5
233.19008	0.3
243.06250	0.1
251.16406	100.0
252.16763	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	251.1643
Annotation	6-Hydroxy-14-sesquilimonenoic acid
Peak:m/z	Relative Intensity
53.03958	1.1
55.01871	1.4
55.05509	7.5
57.03444	1.4
57.07082	1.5
59.05009	1.5
61.02936	0.9
62.44331	0.6
63.75163	0.6
65.03955	0.9
67.05503	10.5
69.03449	2.4
69.03827	3.9
69.04242	2.1
69.07072	7.1
70.78816	0.6
71.04999	8.3
79.05502	7.8
81.03439	1.0
81.07058	14.8
81.07506	1.1
83.04976	4.6
83.08615	1.6
85.02907	2.8
85.06541	2.7
91.05480	9.4
93.07037	11.4
93.07583	0.7
95.04978	9.0
95.08605	11.7
97.06535	3.3
97.10161	1.5
98.98469	100.0
99.04454	14.1
99.08096	0.8
101.06024	4.6
103.05481	1.2
105.07030	13.7
107.04953	2.7
107.08592	12.1
108.08987	0.6
109.02875	0.7
109.06522	5.5
109.10152	12.2
111.04448	1.4
111.08089	1.5
113.06002	2.4
115.05414	1.5
116.99502	3.3
117.06989	3.8
119.08593	9.4
121.06513	3.4
121.10152	9.1
123.04404	0.6
123.08054	2.4
123.11702	8.2
125.06001	1.5
125.09644	1.4
127.07520	1.1
127.11192	0.8
128.06235	0.8
129.05464	2.0
129.06973	1.3
130.07767	0.9
131.04901	0.7
131.08569	10.1
133.06511	1.0
133.10133	9.7
135.08060	3.7
135.11682	4.8
135.28520	0.7
137.02312	0.7
137.06029	1.3
137.09601	2.4
137.13269	0.6
139.11179	0.7
143.08530	1.6
144.09288	1.0
145.06483	1.6
145.10126	9.5
147.08072	1.5
147.11685	5.9
149.05934	1.9
149.09625	7.4
149.13254	2.8
151.03806	0.9
151.11176	2.0
153.05490	0.7
153.09097	1.3
155.08516	1.0
155.10696	1.0
156.09277	1.0
157.10106	3.6
158.10863	2.2
159.08015	0.9
159.11703	5.7
161.05992	0.9
161.09581	1.3
161.13206	1.6
163.07526	2.3
163.11156	4.3
163.14799	1.8
165.05397	0.7
165.06912	0.7
165.09117	0.9
165.12724	1.7
167.03438	1.4
167.07059	1.4
167.08618	1.2
169.10106	0.9
171.11647	3.4
172.12433	0.8
173.05946	0.9
173.09637	3.2
173.13255	15.9
174.99243	3.5
175.11186	4.1
177.05501	1.2
177.09122	2.0
177.12782	1.4
179.08540	0.9
181.05000	1.1
181.08588	0.8
181.12137	0.7
182.10794	0.9
187.11134	1.7
187.14848	4.3
189.12627	1.2
191.06935	0.9
191.10689	3.3
191.14301	10.0
193.12250	1.7
195.11681	0.9
197.13210	2.2
205.08493	0.7
205.12160	1.1
205.15875	4.6
208.05251	0.6
209.07982	1.1
209.13286	1.0
215.10718	0.9
215.14268	8.0
215.17889	0.9
223.07437	1.2
223.13054	0.8
223.16887	1.0
233.07997	1.3
233.11658	1.6
233.15361	26.2
233.18819	1.3
234.15529	0.8
251.04692	1.2
251.06937	2.4
251.10570	2.5
251.12857	4.7
251.16312	24.8
251.20154	2.5
251.23654	1.0
252.16585	0.9
264.05911	0.6
265.98956	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2007
Annotation	roughanic acid
Peak:m/z	Relative Intensity
53.03947	2.5
55.01877	5.7
55.05513	27.4
56.05836	0.6
57.03443	4.9
57.07068	2.8
59.04990	1.3
65.03938	2.4
67.05507	78.1
68.05833	1.0
69.03434	1.7
69.07069	25.5
69.07452	1.2
69.32215	4.1
70.07393	0.8
71.04997	6.8
79.05493	31.7
80.05839	0.7
81.03396	1.0
81.07057	82.4
82.07382	1.3
82.38387	0.6
82.98965	0.6
83.04984	7.2
83.08624	16.1
85.06528	3.4
91.05478	13.7
92.05771	0.8
93.07047	36.2
95.04973	4.3
95.08607	100.0
96.08938	1.2
97.06535	10.1
97.10169	6.5
98.22610	1.2
98.98468	42.8
99.08075	1.1
103.05470	0.8
105.04517	0.7
105.07027	10.0
106.92247	0.6
107.04950	1.0
107.08598	18.7
109.06533	2.7
109.10155	48.8
110.10475	1.3
111.04421	1.2
111.08060	4.6
111.11713	1.4
113.09629	0.8
116.66748	0.5
116.99496	1.1
117.07011	3.2
119.08588	9.1
121.06487	1.7
121.09265	1.2
121.10145	22.2
122.29562	0.6
123.08065	2.5
123.11707	16.5
125.09628	3.0
127.11210	1.0
131.08562	8.3
133.10132	12.5
135.08018	1.8
135.11702	10.9
137.09631	5.0
137.13260	4.2
139.07555	0.9
139.11201	3.3
143.08578	0.9
145.06479	0.9
145.10115	9.3
147.11699	5.5
149.09587	2.0
149.13251	5.8
151.11163	3.6
153.09105	1.0
159.11696	7.4
161.13275	1.6
163.11165	2.1
163.14803	1.3
167.07060	1.3
167.10617	1.0
167.14331	0.6
169.12152	0.6
171.10278	0.6
173.13217	3.9
174.99226	1.4
175.14833	2.2
177.12750	2.3
181.12277	1.5
187.13330	1.0
187.14769	3.4
189.16360	1.2
191.10674	0.6
191.14398	0.7
191.17960	1.6
195.11874	0.6
195.13831	2.0
201.14864	2.6
205.15852	0.8
205.19502	2.4
209.08018	1.0
209.15369	1.1
209.18962	0.7
215.14453	0.8
215.16272	0.6
215.17972	12.3
233.15532	3.8
233.19011	22.4
234.19426	1.6
251.12827	1.9
251.16261	5.2
251.20071	58.8
252.20370	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	252.0202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21066	0.2
60.85671	0.2
68.53138	0.2
69.40054	1.6
69.44189	0.2
75.29819	0.2
95.41208	0.3
95.88773	0.2
98.97857	0.6
98.98455	3.6
101.00871	2.0
107.24211	0.3
116.98846	0.4
119.01909	4.5
121.03450	0.3
122.97829	0.5
133.44714	0.3
134.99892	1.9
137.02948	0.7
140.98834	2.6
153.01010	0.4
158.99872	8.0
160.00055	0.4
161.01456	0.6
171.38255	0.3
177.00943	62.1
178.01038	2.9
183.00002	0.2
185.01459	1.5
195.01997	0.9
200.02545	0.4
201.00920	0.8
203.02512	30.4
204.02621	1.9
205.00481	1.6
205.02303	0.3
210.99333	1.6
219.01999	12.4
220.02130	0.9
226.04100	0.3
229.00424	9.5
230.00580	0.4
247.01489	100.0
248.01616	6.8
270.02951	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34197	0.4
57.15434	0.3
70.02944	0.8
71.06081	0.7
77.03910	0.4
79.05473	0.9
80.97431	0.5
87.00808	1.9
91.05463	1.3
93.07036	1.9
98.98455	13.3
103.04826	0.7
103.05454	7.9
106.06523	0.4
107.04943	1.2
115.97623	0.4
118.06530	8.6
120.08092	100.0
121.06471	0.4
121.08415	1.7
128.04942	1.5
131.04915	0.9
137.05995	0.4
144.08037	0.8
145.06447	0.4
146.05989	17.4
147.06293	0.4
160.07489	0.5
164.07039	0.6
166.08624	2.2
177.72398	0.3
188.07057	18.7
192.06613	1.1
206.08104	51.7
207.08438	1.1
234.07668	0.6
237.00870	0.6
252.03210	0.5
252.08813	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1229
Annotation	Ac-Tyr-OEt
Peak:m/z	Relative Intensity
53.52658	0.3
55.01858	1.0
60.04504	0.7
65.02769	0.3
70.95181	0.3
78.34359	0.3
79.05487	2.4
81.62181	0.3
91.05462	1.6
95.04958	0.4
98.98454	1.7
103.05453	3.0
104.06236	1.5
105.07023	28.8
115.05440	6.1
118.04144	1.7
122.90897	0.3
123.04369	0.3
131.04913	1.0
132.05673	1.2
132.08076	2.4
133.06479	26.0
134.06790	0.7
134.36841	0.3
143.04958	0.8
143.06023	2.1
146.05984	0.6
149.05986	0.8
160.05215	1.0
160.07565	26.4
161.05965	34.6
162.06386	0.6
167.07039	3.1
171.42163	0.3
173.08351	0.6
174.05434	0.4
174.09131	0.4
176.07002	0.6
178.06273	0.6
178.08636	1.4
188.07039	4.4
191.09392	26.5
192.09825	1.1
193.08588	44.9
194.08658	0.7
201.07828	0.4
206.08102	10.2
208.09677	3.1
210.11238	7.2
219.08881	7.7
220.09579	1.9
222.07584	2.5
236.09187	1.9
237.09947	11.1
252.12286	100.0
253.12617	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1069
Annotation	2,4-dihydroxy-6-(4-hydroxy-2-oxopentyl)-3-methylbenzaldehyde
Peak:m/z	Relative Intensity
55.05517	8.8
55.26136	1.8
57.03434	11.8
57.07073	100.0
59.05006	2.2
65.03952	2.7
67.05502	11.2
68.99789	3.5
69.03424	9.2
69.07077	13.0
69.14953	16.7
71.04977	9.4
76.87510	1.9
79.05498	12.2
81.03403	1.9
81.07048	23.3
83.04967	6.4
83.08628	3.6
85.02883	2.3
85.06538	15.8
91.05470	14.2
93.07039	20.0
95.04958	12.8
95.08613	12.9
97.06522	12.7
97.10180	2.3
98.98470	34.9
99.08105	7.7
103.05502	2.4
105.07024	17.1
107.04989	4.2
107.08582	16.6
109.02805	2.0
109.06525	7.0
109.10145	20.3
109.81389	2.0
111.04438	1.9
111.08079	4.1
113.06024	6.2
115.05463	2.7
117.07003	2.4
119.04882	2.0
119.08564	12.5
121.06498	6.6
121.10098	12.8
123.04435	13.7
123.08026	9.5
123.11713	4.7
125.09639	5.0
127.07555	3.9
127.11228	4.0
131.08569	4.6
133.06491	5.4
133.10091	10.0
135.08029	3.7
135.11717	2.9
137.05977	7.1
137.09589	9.5
143.08569	3.0
145.10130	5.7
147.04453	4.9
147.08087	3.1
147.11652	13.4
149.05981	3.1
149.09583	8.7
149.13255	2.7
149.85527	1.8
151.03896	55.6
151.07500	5.2
151.11169	3.1
153.05437	3.7
153.06924	2.1
157.10094	2.8
159.11736	2.4
160.05209	3.7
161.05981	5.0
161.09625	3.4
163.03984	1.7
163.07483	3.5
163.11151	5.1
165.05463	17.8
165.06850	3.1
165.09100	7.8
165.12772	4.6
167.03450	2.0
167.10696	5.8
168.00607	3.1
169.04973	5.4
174.06847	3.3
175.07562	7.0
175.11166	4.5
175.14774	3.7
177.05501	5.9
178.06245	12.0
178.07645	2.4
179.03371	21.9
179.07011	3.4
179.10678	2.5
183.02864	11.9
189.09126	14.7
189.12819	2.1
189.16345	4.4
192.07765	2.7
193.04866	1.9
203.06931	2.6
205.15857	3.0
207.08224	3.3
207.10115	50.1
209.08076	3.0
210.06705	2.1
217.08652	8.4
217.15865	8.5
223.16945	4.3
235.07349	4.7
235.09639	61.1
235.13222	2.9
235.16927	11.9
238.06296	2.2
253.08469	8.5
253.10773	3.4
253.14462	2.3
253.15378	2.2
253.17944	16.0
255.40378	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98388	0.6
53.03945	1.4
55.01871	2.6
55.05501	2.3
57.03432	1.9
57.07071	0.9
59.45473	0.6
65.03938	4.7
67.05511	3.6
68.95645	0.7
69.03429	5.0
69.07055	2.4
69.27888	5.8
71.04979	3.1
74.87395	0.7
79.05489	5.0
81.03384	0.9
81.07065	6.4
83.04993	2.2
85.02903	1.7
85.06537	1.1
89.36015	0.7
91.05481	100.0
92.05816	1.7
93.07041	5.2
95.04945	3.3
95.08595	3.2
97.02907	8.1
97.06535	2.6
98.98469	28.4
99.04453	0.8
99.08104	3.9
100.98859	0.8
103.05435	1.6
105.07034	10.6
107.04932	2.2
107.08579	4.3
109.02895	1.2
109.06514	2.1
109.10167	3.0
110.03754	0.8
111.08112	1.4
113.05970	1.0
115.05457	2.0
117.07025	2.9
119.04939	3.5
119.08578	5.2
121.06507	2.4
121.10136	3.2
123.08079	2.1
123.11687	0.8
125.09665	1.5
127.03942	1.7
127.07572	1.8
127.11240	0.7
128.06223	2.4
129.07021	3.0
131.08569	4.2
133.06485	6.9
133.10156	2.9
135.08044	1.2
136.06165	4.5
137.04523	1.2
137.05995	5.0
137.09645	2.8
143.08586	1.9
145.06491	1.9
145.10143	1.1
147.04344	0.9
147.08017	1.5
147.11694	2.0
149.05939	1.1
149.09630	2.5
151.07535	0.9
151.11211	1.5
152.06171	0.9
153.05481	2.2
157.06535	2.1
157.10109	1.0
159.11703	1.5
161.06007	2.0
161.09676	1.6
163.07562	1.1
163.11246	1.1
164.04671	1.0
165.06979	0.9
165.09117	1.3
165.12733	0.9
167.10661	1.0
173.13269	0.8
175.07628	1.4
175.11195	0.9
175.14822	0.8
179.07042	10.6
179.08511	0.7
179.10623	1.0
180.07706	1.1
181.08601	1.9
189.12784	1.4
191.07034	1.4
193.08641	1.3
195.10243	1.1
205.15900	1.9
207.08188	1.7
207.10283	1.0
210.06691	1.1
217.12141	0.9
217.15843	1.8
225.09093	0.8
235.07538	0.9
235.09720	1.8
235.13605	2.1
235.16899	1.9
253.08575	2.1
253.10750	2.9
253.14758	5.7
253.17896	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05528	6.0
61.02934	2.9
69.03429	7.2
73.06566	25.6
81.03420	4.4
81.07088	2.5
85.02911	46.1
88.77205	2.4
91.31761	2.2
97.02914	8.2
98.97516	3.9
98.98470	100.0
101.76672	2.3
109.02899	6.7
110.07184	4.2
116.98727	2.7
119.01929	3.6
119.27983	2.9
120.08096	5.8
122.62180	2.4
127.03923	9.7
133.88774	2.6
145.04988	6.6
178.01010	4.3
189.03920	2.6
197.11787	3.6
208.14360	2.4
211.00992	4.3
223.89490	2.3
248.01608	6.0
249.01431	2.8
271.00162	2.5
271.04730	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	253.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
65.13597	3.6
66.43262	3.7
68.47380	3.4
70.58836	10.8
73.06554	22.9
85.02901	6.8
91.09704	3.5
98.98463	100.0
197.04509	4.2
210.38486	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	253.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	4.3
61.02939	3.5
62.90250	3.1
69.03431	7.9
69.84289	17.6
70.86639	3.5
73.06559	17.7
74.76116	3.2
75.92680	3.5
77.33973	3.8
85.02914	48.1
89.26457	4.2
95.39201	3.5
97.02901	7.3
98.23244	5.1
98.98467	100.0
109.02889	7.1
110.07153	5.8
120.08121	6.4
127.03951	3.7
141.00052	4.8
143.03366	3.4
145.05003	6.3
150.05508	4.7
153.01811	5.1
155.15474	3.8
176.16684	3.2
188.75717	3.3
201.28740	3.6
211.00903	4.0
248.01637	12.0
253.01717	9.6
254.15076	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	253.1432
Annotation	3alpha-Hydroxyoreadone
Peak:m/z	Relative Intensity
51.37521	0.7
53.03939	3.5
55.01859	2.7
55.05503	5.7
57.03425	1.1
57.07052	1.4
59.05000	0.9
65.03943	2.1
67.05502	13.4
69.03426	4.5
69.07058	5.7
69.09406	7.5
71.04987	9.4
71.51054	0.7
77.03891	1.5
79.05489	23.9
81.03407	0.8
81.07052	44.0
83.04988	4.2
83.08611	2.7
84.05293	0.7
85.02895	3.1
85.06529	4.3
91.05471	15.4
93.03385	1.0
93.07038	42.0
93.81863	0.8
95.04964	12.3
95.08604	17.8
97.06525	17.0
98.98463	35.5
99.04449	7.7
99.08067	1.0
103.05474	1.6
105.07026	28.6
107.04944	5.3
107.08586	20.0
109.06514	33.1
109.10139	2.9
110.06870	0.9
111.04423	2.0
111.08067	4.5
113.06032	4.2
113.06713	0.7
115.05456	0.9
117.06992	2.6
119.04932	2.0
119.08573	17.1
121.06497	100.0
121.10126	2.7
122.06797	1.4
123.04424	5.8
123.08054	5.9
123.11668	0.9
125.05958	5.6
127.07555	10.6
128.06200	2.1
129.06989	5.8
131.08543	5.2
133.06503	5.3
133.10146	6.1
135.04414	6.3
135.08064	9.0
135.11655	1.7
137.05962	5.1
139.07532	18.4
141.05467	2.8
141.06969	1.5
142.07771	4.1
143.07137	1.5
143.08540	9.3
145.06470	1.3
145.10117	6.3
146.07323	0.8
147.08034	5.4
147.11674	25.5
149.09589	1.3
151.03900	13.0
151.05000	1.5
151.07498	1.8
155.08543	2.0
156.09393	3.5
157.06566	1.4
157.08635	2.6
157.10118	13.6
158.07225	1.2
159.06680	1.2
159.08041	1.8
161.05960	1.9
161.09618	2.3
161.13242	12.3
163.11215	1.2
163.14825	1.2
164.31621	0.7
165.01836	1.5
165.07021	3.3
165.08992	0.9
165.12764	3.7
166.07776	4.1
171.08008	1.4
171.11667	15.4
173.09625	2.4
173.13309	1.0
174.99251	0.7
175.11179	18.1
178.07777	0.9
179.07025	0.9
181.10114	5.7
182.07181	0.8
184.08821	2.6
189.09148	1.0
189.12737	22.2
189.14461	1.2
191.14249	0.9
193.01430	1.0
193.06480	1.0
193.10387	1.4
193.12241	15.2
197.11755	0.9
199.11171	32.2
200.11681	0.7
207.13773	8.5
210.06763	1.3
211.13264	1.5
217.12222	75.7
218.12517	3.2
221.09569	1.0
225.01894	0.9
235.09738	1.5
235.13264	29.5
238.06281	1.0
253.01202	1.8
253.08572	3.1
253.12091	2.3
253.14349	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1798
Annotation	Juvenile hormone III acid
Peak:m/z	Relative Intensity
55.01865	0.5
55.05511	1.6
57.03430	0.5
57.07073	0.6
59.04994	1.2
67.05499	1.9
69.03431	0.6
69.07066	2.4
71.04991	30.3
72.05318	0.5
79.05485	2.0
81.03407	1.5
81.07049	5.2
83.05021	0.4
83.08612	0.5
85.06544	1.5
91.05481	3.4
93.07039	4.2
95.04966	15.2
95.08606	4.5
97.06542	1.7
97.10168	1.1
98.98461	10.9
99.04453	100.0
100.04784	1.2
105.07038	2.6
107.08598	3.1
109.06513	1.3
109.10131	1.4
111.08098	0.7
113.06012	0.5
115.07578	0.6
117.07029	1.2
117.08021	0.3
119.08581	16.4
120.08943	0.3
121.06531	0.8
121.10133	7.0
122.10445	0.3
123.08070	0.6
123.11719	0.6
127.07558	0.6
129.06993	0.9
131.08572	1.9
133.10121	1.2
135.08025	0.5
135.11700	2.2
137.09604	0.8
137.13251	1.9
138.71376	0.3
139.11177	2.3
142.07727	0.5
143.08546	1.0
144.09296	0.7
145.10077	0.5
147.11678	1.2
149.13243	0.8
151.11266	0.3
151.14828	0.3
153.09081	0.3
155.08560	0.6
157.10143	2.2
159.08110	0.4
159.11691	13.5
160.12083	0.5
161.13235	0.6
165.06973	0.7
165.12738	0.6
169.10155	0.4
171.11739	0.4
173.13216	0.4
175.11197	0.5
175.14818	4.0
177.12724	5.1
181.06444	0.5
182.07266	0.5
183.11638	0.5
185.09630	0.6
189.16394	0.4
193.12216	0.6
199.14752	1.5
207.13828	0.8
210.06734	0.7
211.09540	0.4
217.12372	0.3
217.15877	5.1
225.09044	0.8
235.09653	0.3
235.13266	0.6
235.16910	5.2
240.73021	0.3
243.52362	0.3
253.08553	2.3
253.12236	0.7
253.15799	0.6
253.17853	3.7
253.21802	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1798
Annotation	(+)-Tremetriol
Peak:m/z	Relative Intensity
50.17467	1.5
51.61082	1.3
53.03952	1.7
55.01873	5.5
55.05513	36.0
57.03448	2.2
57.07084	4.3
58.88659	1.3
59.05003	7.3
59.73503	1.6
66.35712	1.5
67.05500	12.4
69.03424	8.1
69.07069	15.8
71.05003	5.7
79.05491	6.8
81.07053	17.2
83.04974	16.5
83.08634	8.5
85.06557	7.3
91.05480	7.5
93.07053	11.3
95.04942	3.5
95.08592	10.1
97.06542	6.8
97.10173	5.0
98.22487	3.2
98.98473	57.6
99.04457	2.8
99.08094	1.5
101.06020	52.6
104.38663	1.3
105.07027	13.2
107.08588	12.2
109.06509	13.3
109.10163	17.8
111.08079	17.0
113.06012	2.8
119.08573	10.0
121.06490	1.4
121.10121	8.2
123.08057	7.5
123.11726	7.3
125.06025	1.6
125.09655	8.9
125.13271	3.4
127.07552	3.3
129.05475	19.4
131.08575	3.0
133.10121	10.7
135.11703	3.3
137.06021	1.6
137.09618	8.9
139.07526	13.2
145.10188	3.2
147.08090	4.5
147.11676	10.4
149.13339	2.0
151.07634	3.5
151.11133	7.3
153.09111	26.4
157.10135	6.3
159.11703	3.8
161.09686	5.0
161.13260	2.0
163.11180	1.7
165.06970	1.7
165.09091	4.2
165.12808	5.3
167.10706	3.5
169.04666	1.6
173.13402	2.1
175.11203	5.2
175.14792	8.8
179.10669	40.3
179.14386	1.7
181.12262	6.8
189.16397	1.9
191.14268	1.9
193.12276	14.7
193.15984	2.3
199.14908	4.6
206.10849	1.6
207.17494	2.0
210.06824	2.0
217.15886	13.1
225.09056	3.8
228.92786	2.0
235.16922	100.0
236.17267	4.7
253.08611	8.9
253.12036	2.9
253.14426	6.6
253.17943	47.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2161
Annotation	Hydnocarpic acid
Peak:m/z	Relative Intensity
53.03940	2.0
55.01871	5.4
55.05511	63.4
57.03437	4.4
57.07079	12.8
59.04998	2.4
59.59888	1.5
61.70954	1.4
65.03945	1.7
67.05502	50.5
69.03430	2.8
69.07066	61.6
71.04989	11.1
71.08624	5.5
71.33006	2.1
73.06546	1.7
79.05489	28.7
81.07055	79.3
83.04970	8.0
83.08118	3.0
83.08620	57.1
85.02924	2.3
85.06543	10.1
91.05479	23.6
93.06453	1.7
93.07045	39.3
95.04961	4.1
95.08604	64.2
95.60976	1.3
97.06535	11.4
97.10162	36.9
98.98466	100.0
99.04462	2.1
99.08100	7.1
104.13883	1.5
105.07027	19.3
107.04963	1.8
107.08594	31.7
109.06537	7.1
109.10163	32.4
109.68652	1.5
111.08092	11.6
111.11714	9.9
111.48157	1.3
113.09667	3.9
115.07603	1.9
116.99471	3.5
119.08565	23.1
121.06493	3.4
121.10139	29.0
123.08075	7.4
123.11704	12.8
125.09628	13.0
125.13301	3.3
127.07521	2.4
129.09180	2.0
131.08615	3.5
133.06549	2.3
133.10117	23.0
135.08049	3.6
135.11687	26.1
137.06033	2.5
137.09604	7.5
137.13274	5.9
139.07567	3.4
139.11192	7.6
143.08641	1.6
145.10138	1.9
147.04419	2.0
147.11691	15.5
149.13263	6.0
151.11197	7.2
151.14796	4.9
153.07083	1.9
153.12781	6.2
155.08513	1.8
157.10179	2.2
161.13234	12.2
163.14856	1.8
165.06938	3.6
165.12808	5.7
167.08513	1.7
169.10112	2.0
171.11746	1.9
175.14847	5.1
177.16284	1.4
179.14294	3.8
181.10170	1.9
182.07245	2.6
183.11766	2.0
183.13870	2.0
189.11194	3.9
189.12735	3.1
189.16373	4.6
193.06499	4.1
193.19588	4.3
207.08171	1.9
210.06778	5.0
217.12277	3.0
217.19513	28.4
221.06058	2.2
225.09103	6.1
235.09612	2.7
235.16951	10.3
235.20512	19.5
253.08572	17.9
253.12048	3.8
253.14420	5.7
253.17827	17.8
253.21677	18.3
254.09267	2.7
254.15703	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	254.0658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39273	0.3
54.51559	0.3
58.66227	0.3
65.03938	4.0
69.45570	1.9
70.02944	1.4
71.04205	0.3
74.02463	0.7
88.03987	1.6
91.82120	0.3
93.03397	1.1
98.98464	4.4
111.04469	0.5
116.03479	0.7
121.02860	100.0
121.24639	0.3
122.03194	1.8
134.04489	2.3
139.03964	0.6
146.06018	0.3
153.01819	1.1
187.02921	0.3
208.05969	0.6
213.69792	0.3
236.05565	0.8
254.06528	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.5
52.67963	0.2
53.03933	0.3
55.01878	0.5
57.03432	7.9
57.07027	0.2
65.03938	0.7
67.05502	0.5
69.03413	0.7
71.05012	0.6
78.39700	0.2
79.01842	5.6
79.02261	0.4
79.05505	0.5
79.39056	0.2
81.03407	3.5
81.07088	0.3
82.04209	0.4
82.74394	0.3
85.02898	15.2
85.06568	0.3
91.05450	0.4
91.83503	0.2
93.03399	0.3
93.07056	0.4
95.04939	0.4
95.08601	0.4
97.02892	1.5
97.06504	0.4
98.23295	0.5
98.98457	1.7
105.07019	0.3
107.01306	3.9
107.08621	0.4
108.19191	0.2
109.02866	5.7
109.10141	0.3
110.03715	0.4
121.10144	0.4
124.64749	0.3
125.02341	5.7
125.05956	0.2
127.03905	8.1
133.10107	0.4
135.00716	0.2
142.02606	0.3
143.03394	6.8
153.01814	100.0
153.02875	5.2
154.02142	1.9
163.07504	0.3
171.02878	5.0
171.06596	0.4
181.04948	6.5
181.06516	0.4
181.08536	1.2
195.02849	1.4
237.03871	0.7
237.14690	0.2
255.04944	17.1
256.05161	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	0.6
54.44309	0.2
55.01881	0.7
55.05525	0.6
57.03432	7.0
57.03719	0.4
58.47781	0.2
62.47203	0.3
67.05518	0.9
69.03454	0.8
69.07054	0.4
70.15902	0.2
70.24971	0.7
71.05004	0.6
77.24416	0.3
79.01381	0.2
79.01845	5.1
79.05487	0.5
79.13769	0.3
81.03417	3.6
81.07062	0.7
83.04961	1.6
85.02902	14.2
87.74261	0.3
91.05458	1.9
93.07052	1.0
95.04982	0.7
95.08586	0.6
97.02885	1.5
97.06501	0.4
98.98457	5.3
100.98907	0.4
103.05458	3.5
105.07009	0.5
107.01318	3.6
107.04942	0.5
107.08578	0.6
109.02871	5.4
109.06471	0.3
110.03654	1.0
111.04427	0.7
111.08094	0.4
117.07005	0.4
119.04949	1.0
121.06520	0.9
122.03658	0.3
123.04419	2.3
124.05178	0.4
125.02345	5.5
127.03906	8.0
131.04915	5.7
135.00774	0.4
135.04408	0.4
135.08047	0.4
137.05965	2.4
138.06747	1.2
139.03920	0.4
143.02318	0.2
143.03378	6.1
144.03635	0.3
149.06027	0.4
151.07539	1.1
153.01817	100.0
153.02882	5.6
154.02158	1.9
158.70009	0.3
163.07510	1.9
166.06284	2.0
167.06963	0.3
171.02884	4.9
172.03159	0.3
173.50925	0.3
179.06979	0.4
181.04961	1.2
181.08582	1.6
191.07108	0.3
195.01196	0.3
195.02861	1.8
219.13808	0.4
227.07033	0.5
237.03865	0.6
237.14777	0.4
242.85432	0.3
255.04922	17.9
256.05109	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02406	0.5
53.03968	0.7
55.01881	1.5
55.05521	0.7
57.03434	57.6
57.07092	0.7
58.03775	0.5
65.03957	1.8
67.05497	2.6
69.03449	0.9
69.07072	0.6
71.04987	12.6
71.32899	0.8
75.04495	2.2
79.01855	5.2
79.05500	4.1
81.03415	3.7
81.07059	3.9
83.04999	0.5
83.08657	0.6
85.02902	14.1
85.06532	5.0
87.04467	1.1
89.89793	0.5
91.05473	3.4
91.28622	0.5
93.03420	0.7
93.07040	6.9
95.04960	1.6
95.08588	3.2
97.02894	1.1
97.06539	2.2
98.98463	5.1
105.07043	2.0
107.01320	3.0
107.08582	2.6
109.02877	5.3
109.06488	0.6
109.10154	0.5
110.03678	0.9
111.04447	1.1
111.08073	0.8
117.07026	2.0
119.08578	1.5
121.06518	0.8
121.10169	1.3
121.33572	0.5
123.04446	0.5
123.08076	1.2
123.24879	0.5
125.02325	5.4
125.06004	1.9
127.03913	7.9
131.07047	1.6
131.08548	3.7
133.06586	0.5
133.10156	2.3
135.00766	0.6
135.08064	4.0
137.02335	1.4
137.05978	0.5
137.09637	1.2
141.06960	0.5
142.02608	0.6
143.03395	7.0
145.10117	1.7
147.11679	0.6
149.09608	1.1
149.13141	0.5
151.07529	0.7
153.01819	100.0
153.02888	5.2
154.02174	1.9
155.08511	0.8
157.10046	1.0
159.11652	1.8
163.07492	1.3
167.10582	0.6
171.02893	5.3
171.06538	0.5
171.46492	0.6
173.13274	1.7
181.04999	11.4
181.08583	44.8
182.08875	1.1
183.11662	1.1
191.14287	1.3
195.02904	0.7
195.08154	0.6
201.12672	2.5
209.15253	0.6
219.13821	3.3
237.04010	0.7
237.11275	0.9
237.14867	7.7
242.49300	0.5
255.04919	19.2
255.12280	9.4
256.05432	0.7
257.88318	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.5
55.01870	7.7
55.05266	2.9
55.05513	35.6
57.03439	62.2
57.07068	5.3
60.07339	2.0
67.05505	86.4
69.07066	28.2
71.01350	9.1
71.04984	7.0
71.30939	2.4
74.99702	2.2
79.05495	78.2
81.03426	8.4
81.07063	38.0
83.04981	22.7
83.08612	6.3
85.06557	6.9
86.66411	2.1
90.83305	2.1
90.99010	2.3
91.05476	35.5
93.07044	90.4
95.04967	8.2
95.08606	17.1
97.06538	20.2
97.10175	27.8
98.98473	5.9
99.08086	2.6
105.07034	7.5
107.08604	66.5
109.10156	11.6
111.04470	2.9
111.08084	4.2
113.28262	2.6
117.07021	10.8
119.04015	2.2
119.04878	2.2
119.08584	12.6
121.10152	9.5
125.09641	3.9
133.10138	7.0
135.11694	100.0
136.12088	2.5
137.09592	3.0
143.08560	3.3
145.10130	17.9
152.26402	2.1
153.12718	6.8
163.11163	16.5
165.06992	3.6
171.11650	2.9
181.12233	18.5
185.05946	3.1
185.13306	3.2
209.11755	6.9
212.08362	5.1
237.16391	5.7
240.07681	4.3
255.10114	24.0
255.13445	4.7
255.15675	32.4
255.21082	5.7
256.18475	2.3
256.26547	3.0
258.99640	2.5
278.65167	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.159
Annotation	Gliocladic acid
Peak:m/z	Relative Intensity
53.03944	6.2
54.29722	1.5
55.01869	15.8
55.05261	2.3
55.05507	28.8
57.03436	10.3
57.07067	3.4
59.04999	1.9
60.55156	1.5
61.02912	4.6
65.03938	3.9
67.05502	31.0
67.38653	1.1
67.48211	1.3
69.03069	2.1
69.03425	27.6
69.07064	57.9
71.01357	3.9
71.04996	14.9
71.30665	1.9
71.31040	1.6
73.02917	6.7
79.05484	20.9
81.03419	19.4
81.07058	34.7
83.04979	24.2
83.08585	6.8
85.02891	19.1
85.06544	8.0
87.04472	9.9
91.05474	32.6
93.07038	40.4
94.07371	1.5
95.04414	2.1
95.04963	18.7
95.08604	26.2
97.02894	18.2
97.06520	10.8
97.10146	3.2
98.98450	6.0
99.04443	13.5
99.08086	3.4
101.02359	4.1
101.06004	2.1
103.03929	11.0
103.05452	2.8
105.06352	3.1
105.07027	38.6
107.04954	8.0
107.08588	39.9
109.02863	4.6
109.06516	19.7
109.10155	24.3
111.04443	13.3
111.08060	10.2
111.11687	8.2
113.02377	2.1
113.06004	3.5
113.09641	3.9
115.03921	10.7
115.05441	2.2
117.07014	10.5
119.08578	25.3
121.06503	20.0
121.10144	22.9
123.04411	3.8
123.08075	16.6
123.11717	12.9
125.02356	2.2
125.05958	3.4
125.09623	12.3
125.48563	1.4
127.03903	9.7
127.07555	1.8
127.11206	3.3
128.06140	1.7
129.05473	6.2
129.07036	3.0
131.05000	1.7
131.08557	25.9
133.06496	4.7
133.10132	17.9
135.04442	1.7
135.08031	21.6
135.11646	10.3
137.05951	2.9
137.09618	17.9
137.13203	4.5
139.03860	2.1
139.07509	7.8
139.11182	5.9
141.09135	1.9
142.07729	2.2
143.03351	3.4
143.06995	4.2
143.08560	5.0
145.04959	2.8
145.06439	3.7
145.10097	11.6
146.07289	1.9
147.08038	9.0
147.11667	11.9
149.02306	1.6
149.06050	2.5
149.09583	13.9
149.13213	6.1
151.07564	2.3
151.11180	11.7
153.01840	2.5
153.09117	2.7
153.12747	6.4
155.08505	2.1
155.10658	1.7
157.10127	4.2
159.08025	10.5
159.11713	12.1
161.09618	8.8
161.13239	2.5
163.07494	5.4
163.11172	29.1
165.09074	3.5
165.12753	15.9
167.14355	7.4
173.09615	1.9
173.13303	8.8
175.11211	8.5
177.09146	8.9
177.12743	21.5
179.10657	9.0
181.08511	2.2
181.12149	2.9
183.11703	2.2
189.12749	4.5
191.14288	6.6
193.12253	5.7
195.10167	2.7
195.13824	7.6
197.11748	5.1
201.12770	12.2
207.13791	5.4
209.08043	2.7
219.11908	2.2
219.13808	27.6
220.14052	1.7
237.11151	3.6
237.14847	33.2
255.15887	100.0
256.16159	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	255.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.9
55.01874	14.4
55.05513	25.0
57.03445	11.2
57.07072	6.0
59.04994	2.3
61.02929	4.2
65.03945	3.4
65.33818	2.4
67.05175	2.7
67.05505	34.7
69.03429	29.1
69.06715	3.5
69.07072	51.5
71.01360	3.5
71.04993	13.2
71.31268	2.5
73.02909	8.2
79.05499	21.6
81.03421	19.7
81.07057	36.2
83.04987	26.6
83.08624	6.2
85.02905	18.7
85.06541	7.7
87.04451	9.1
91.05492	28.8
93.07052	41.2
95.04966	16.1
95.08610	23.9
97.02913	16.0
97.06521	14.2
98.98459	10.0
99.04462	14.7
99.08065	6.4
101.02422	3.1
103.03936	10.4
105.07026	40.6
106.07348	2.8
107.04938	12.0
107.07934	3.6
107.08599	42.7
109.02876	5.6
109.06525	15.4
109.10172	28.9
111.04438	14.8
111.08077	10.2
111.11721	7.4
113.02370	3.0
113.06099	2.6
115.03923	11.1
115.07551	2.4
117.07009	8.2
117.42433	2.5
119.08578	24.7
121.06504	21.1
121.10156	21.2
123.04404	3.8
123.08064	16.8
123.11704	12.0
125.09618	16.8
127.03920	12.4
127.07500	2.2
129.05487	6.7
129.06964	3.4
131.08569	22.8
133.06497	7.6
133.10118	22.9
135.08075	22.0
135.11671	8.1
137.05916	4.7
137.09612	17.7
137.13211	3.8
139.07494	4.1
139.11156	7.1
140.30394	2.4
143.03381	3.7
143.07050	4.5
143.08563	7.4
144.09332	3.7
145.04938	3.4
145.06485	4.3
145.10127	16.4
147.08055	9.0
147.11693	13.9
147.52745	2.1
149.05952	4.7
149.09627	15.1
149.13306	5.5
151.07492	3.3
151.11211	18.6
153.05412	4.7
153.09036	5.6
153.12762	4.2
159.08073	12.5
159.11681	15.8
160.89713	2.4
161.09555	13.8
161.13293	3.3
163.07529	5.5
163.11191	33.1
165.05486	3.7
165.09099	7.1
165.12753	15.8
166.06261	2.6
167.14337	5.8
173.13246	8.6
175.11166	11.8
177.09140	8.4
177.12761	18.8
179.10730	11.0
181.04843	2.5
181.08653	5.6
191.14278	8.7
193.12239	6.8
195.10168	3.4
195.13794	8.6
197.11664	5.0
201.12756	10.0
207.13707	4.2
209.04240	2.8
209.08078	5.6
219.13783	26.7
237.11249	3.9
237.14836	42.0
255.15909	100.0
256.16260	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	255.1591
Annotation	Gliocladic acid
Peak:m/z	Relative Intensity
53.03931	6.9
55.01874	14.4
55.05513	25.0
57.03445	11.2
57.07072	6.0
59.04994	2.3
61.02929	4.2
65.03945	3.4
65.33818	2.4
67.05175	2.7
67.05505	34.7
69.03429	29.1
69.06715	3.5
69.07072	51.5
71.01360	3.5
71.04993	13.2
71.31268	2.5
73.02909	8.2
79.05499	21.6
81.03421	19.7
81.07057	36.2
83.04987	26.6
83.08624	6.2
85.02905	18.7
85.06541	7.7
87.04451	9.1
91.05492	28.8
93.07052	41.2
95.04966	16.1
95.08610	23.9
97.02913	16.0
97.06521	14.2
98.98459	10.0
99.04462	14.7
99.08065	6.4
101.02422	3.1
103.03936	10.4
105.07026	40.6
106.07348	2.8
107.04938	12.0
107.07934	3.6
107.08599	42.7
109.02876	5.6
109.06525	15.4
109.10172	28.9
111.04438	14.8
111.08077	10.2
111.11721	7.4
113.02370	3.0
113.06099	2.6
115.03923	11.1
115.07551	2.4
117.07009	8.2
117.42433	2.5
119.08578	24.7
121.06504	21.1
121.10156	21.2
123.04404	3.8
123.08064	16.8
123.11704	12.0
125.09618	16.8
127.03920	12.4
127.07500	2.2
129.05487	6.7
129.06964	3.4
131.08569	22.8
133.06497	7.6
133.10118	22.9
135.08075	22.0
135.11671	8.1
137.05916	4.7
137.09612	17.7
137.13211	3.8
139.07494	4.1
139.11156	7.1
140.30394	2.4
143.03381	3.7
143.07050	4.5
143.08563	7.4
144.09332	3.7
145.04938	3.4
145.06485	4.3
145.10127	16.4
147.08055	9.0
147.11693	13.9
147.52745	2.1
149.05952	4.7
149.09627	15.1
149.13306	5.5
151.07492	3.3
151.11211	18.6
153.05412	4.7
153.09036	5.6
153.12762	4.2
159.08073	12.5
159.11681	15.8
160.89713	2.4
161.09555	13.8
161.13293	3.3
163.07529	5.5
163.11191	33.1
165.05486	3.7
165.09099	7.1
165.12753	15.8
166.06261	2.6
167.14337	5.8
173.13246	8.6
175.11166	11.8
177.09140	8.4
177.12761	18.8
179.10730	11.0
181.04843	2.5
181.08653	5.6
191.14278	8.7
193.12239	6.8
195.10168	3.4
195.13794	8.6
197.11664	5.0
201.12756	10.0
207.13707	4.2
209.04240	2.8
209.08078	5.6
219.13783	26.7
237.11249	3.9
237.14836	42.0
255.15909	100.0
256.16260	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	255.1953
Annotation	Yingzhaosu D
Peak:m/z	Relative Intensity
51.59508	17.3
53.95401	16.5
55.05506	58.8
57.03436	40.9
62.50012	20.4
67.05508	100.0
69.07075	74.9
71.04985	26.2
71.08632	19.9
71.32859	27.7
72.05104	17.0
79.05495	86.4
81.07055	90.5
83.04975	36.2
83.08649	27.0
85.06532	24.3
91.05470	39.9
93.07035	88.3
95.04942	27.8
95.08625	58.3
97.06541	38.9
97.10194	20.6
98.98439	86.3
105.07037	40.6
107.08614	65.6
109.10159	35.9
119.08563	26.2
121.10129	36.8
133.06551	18.0
133.10135	38.3
135.11705	47.7
139.11160	24.5
143.08589	21.2
145.10233	42.3
147.11751	17.4
153.01845	31.0
165.05499	25.9
165.06906	21.6
167.08588	29.4
169.10042	25.5
181.06465	21.3
195.08075	19.9
200.26520	18.3
219.17300	19.8
227.07085	20.6
227.10657	25.6
237.18716	23.4
240.07893	21.9
240.11501	18.0
255.06586	84.4
255.10239	58.7
255.13792	40.4
255.17479	49.5
255.21240	48.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1955
Annotation	Yingzhaosu D
Peak:m/z	Relative Intensity
53.03952	2.8
55.01881	1.9
55.05519	7.7
57.03450	2.2
57.07077	2.2
59.05000	1.9
65.03949	3.0
67.05508	10.0
69.03437	4.5
69.07064	12.0
70.63396	2.8
71.04995	22.9
72.29872	1.1
73.02916	1.3
73.06570	2.7
77.03950	1.2
79.05502	10.3
81.03445	3.3
81.07059	26.5
83.04985	9.2
83.08628	2.6
85.02917	4.1
85.06546	3.4
86.58389	1.2
90.38242	1.1
91.05478	15.7
93.07047	39.6
95.04963	11.0
95.08607	17.1
97.06546	5.3
97.10212	1.7
98.98484	5.5
99.08119	4.8
105.07031	35.8
107.08595	22.6
108.02068	1.2
109.06530	4.2
109.10151	20.9
110.03678	1.2
111.04433	2.8
111.08105	3.3
111.11721	2.9
113.09656	1.7
117.07030	3.8
119.04983	2.2
119.08585	16.6
121.10145	90.4
123.08073	2.8
123.11701	7.6
125.06007	2.6
125.09652	8.9
127.03873	1.9
127.11165	5.6
131.04932	1.2
131.08588	9.2
133.10132	100.0
134.10466	2.0
135.08055	1.2
135.11716	7.6
137.09676	1.3
137.13229	2.3
139.11192	2.4
141.09091	1.8
143.10707	5.0
145.10117	9.9
147.04407	12.5
147.11700	12.1
149.13245	9.1
151.07632	2.8
151.11180	27.2
153.01857	2.6
153.12773	1.6
159.11720	17.7
161.13287	4.9
163.11227	3.5
163.19148	1.3
164.04723	1.4
165.06885	1.4
165.09097	1.4
167.07121	1.5
167.08565	3.0
173.13359	1.8
175.14801	1.7
177.16478	2.3
179.07057	3.2
181.04970	36.8
189.16405	26.9
191.14284	1.8
191.18010	2.2
193.08580	1.5
195.08012	5.8
201.16440	9.2
204.64688	1.4
207.17459	7.7
209.11674	1.4
211.09631	2.5
218.15012	1.2
219.17444	13.5
223.07639	2.3
225.18535	1.8
227.10690	4.7
235.11539	1.4
237.11252	1.8
237.18492	13.1
255.10182	9.1
255.19650	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	256.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	7.6
57.17194	3.5
58.99863	15.5
60.05629	9.0
69.76372	23.3
70.06596	68.4
77.00919	4.2
82.01436	17.1
83.00939	5.9
83.06080	3.7
86.06095	4.0
87.04450	6.0
97.02904	9.6
97.07660	20.1
98.97604	6.2
99.02954	16.9
100.02483	25.3
100.90963	3.8
101.00906	11.4
101.02436	11.8
103.02463	6.3
112.03597	7.5
114.05554	12.6
115.03901	13.9
116.05568	5.9
117.04007	52.2
118.03513	9.5
118.04669	6.3
119.01917	49.7
121.03642	3.8
124.03954	15.0
127.02407	11.1
129.01860	12.6
130.03488	3.8
130.04636	9.4
135.05028	31.3
137.02959	10.0
140.05585	23.3
142.08218	6.4
143.01920	13.9
143.03395	11.5
145.03465	32.0
153.01826	30.0
155.01932	4.0
155.08163	17.8
157.01346	11.4
157.10777	5.2
158.06604	23.6
161.02963	20.4
161.04468	13.3
163.04500	12.8
166.03500	8.4
168.05043	17.9
169.09299	22.1
170.02951	5.9
170.06540	8.2
171.01425	12.0
171.02846	5.8
171.10887	26.5
172.09401	7.2
173.07718	15.2
184.04626	33.1
186.06122	5.3
187.10382	8.3
189.02420	18.2
189.03967	31.4
189.11969	29.2
194.03070	6.1
197.04475	41.8
197.07678	100.0
197.09306	7.0
198.06061	5.9
203.05475	8.2
207.03448	10.0
210.02490	17.0
212.04089	11.7
214.05701	5.8
214.10283	5.6
215.08810	76.7
215.10066	16.8
233.11066	22.8
239.09953	39.3
251.02489	7.3
256.03012	5.8
256.12155	17.9
257.10922	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05552	5.6
68.63740	0.6
69.31245	3.0
69.31653	1.1
70.06492	49.4
70.06921	6.1
71.06844	1.1
80.04922	0.7
82.99782	0.7
83.00867	5.8
97.07651	13.2
97.08214	0.8
98.02156	0.6
98.04451	0.7
98.05982	0.8
101.00780	1.8
101.02011	4.4
110.04445	0.8
112.02375	0.6
112.03585	7.9
112.08632	1.2
116.05468	2.0
118.04536	2.3
119.01826	2.7
119.02629	0.5
125.07189	0.6
127.07085	0.8
128.05536	1.3
130.03558	0.8
130.04504	4.0
132.06111	2.0
134.06538	1.3
138.03946	0.8
138.04915	0.6
140.06569	2.7
142.08279	5.6
144.04945	1.3
146.06573	0.6
150.05106	1.0
151.08330	0.8
152.05380	0.6
152.06583	2.8
153.04965	1.7
154.08261	4.3
155.06665	6.8
156.04904	2.4
156.06087	0.6
157.10753	2.2
158.07689	0.9
160.09309	3.4
161.03958	0.6
163.03745	0.6
168.06107	2.6
169.08031	1.1
169.09341	15.0
170.05373	0.7
170.06509	8.1
170.07764	1.8
170.09015	0.7
171.06007	2.3
171.07535	0.6
171.10899	21.8
172.09322	7.8
172.10869	1.0
173.07726	13.1
177.00948	0.7
179.06572	3.4
179.07907	1.0
180.04941	2.5
186.07281	0.9
187.05563	1.8
187.10432	5.1
188.07600	1.2
189.11958	19.9
190.11935	1.2
197.07669	100.0
198.05983	6.4
198.07661	3.4
201.78543	0.7
210.07236	1.0
215.08575	89.9
216.07045	3.8
216.08862	3.8
233.10936	10.8
234.11090	0.7
238.10345	2.7
239.09889	42.3
240.09984	1.8
257.10916	27.9
258.11374	1.0
274.97305	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05652	6.3
69.48047	6.6
70.06586	58.5
70.60062	1.0
83.00967	7.6
97.07658	16.0
98.97585	3.0
101.00877	1.3
101.01971	5.6
112.03583	10.4
112.08754	1.7
113.01944	1.0
116.05573	1.5
116.98595	1.0
118.04632	2.3
118.07165	0.9
119.01922	2.7
127.07141	1.2
130.03625	1.4
130.04634	4.6
132.06171	1.6
137.13614	1.1
138.03992	1.1
140.06665	2.9
142.08211	6.7
151.08296	1.7
152.06743	3.7
153.05115	1.8
153.19579	1.1
154.08308	3.9
155.06624	7.3
156.04996	2.2
157.10849	3.5
158.07741	1.5
160.09346	3.1
162.06166	1.8
168.06207	2.5
169.09335	13.7
170.06587	6.8
170.07869	1.7
171.06171	2.0
171.10886	25.0
172.09340	8.2
172.10980	1.9
173.07718	14.1
174.06114	1.2
179.06679	4.4
180.04973	1.7
186.07233	2.0
187.05647	2.5
187.10396	6.7
189.11960	21.5
197.07663	100.0
198.06148	6.3
198.07759	3.9
215.08562	91.9
216.07195	5.1
216.08812	4.0
221.08870	1.4
233.10933	13.6
238.10420	1.3
239.09886	45.2
257.04559	2.3
257.10934	27.1
274.97208	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.1
55.01866	1.9
56.96552	2.1
57.03427	5.1
67.05499	1.8
68.99800	0.9
69.03410	1.2
71.00399	1.2
74.11101	0.9
75.04475	2.4
79.05503	5.6
81.03405	1.2
81.07076	1.1
84.74130	0.9
91.05479	3.3
93.07037	1.8
94.04185	1.8
95.04920	1.3
98.09724	1.9
98.27502	1.1
98.97579	13.1
103.05490	3.0
105.07031	33.1
107.04939	3.8
109.06524	1.6
115.05439	1.8
116.98631	10.4
118.82867	1.0
121.06453	0.9
122.03651	4.8
124.05175	1.6
133.06487	51.6
134.99635	4.8
135.04382	1.4
137.05974	100.0
138.06302	3.8
141.07025	1.7
147.08008	1.1
150.06694	1.2
155.04922	1.2
161.09599	1.7
163.07532	4.4
165.09114	23.9
169.06509	1.1
169.13409	2.5
173.05989	1.1
175.07539	3.6
177.09161	1.6
181.08604	1.9
183.10179	3.7
203.03484	1.1
203.10605	1.4
211.14343	3.1
214.06273	1.0
221.11743	2.1
229.04855	1.2
229.06345	1.0
229.08586	1.3
239.03415	1.6
257.04486	11.1
257.08081	2.8
257.13727	1.9
257.19003	1.0
258.05026	1.5
274.97424	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	257.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.8
55.01871	1.4
57.03438	6.3
68.51993	0.5
71.07908	0.7
71.08244	0.6
72.38756	0.5
72.97487	0.6
75.04469	2.5
79.05499	4.0
81.07060	0.7
90.60931	0.5
91.05482	1.5
94.04179	1.5
103.05489	4.6
105.07029	34.9
106.07330	0.6
107.04939	2.3
109.06499	1.0
115.05465	0.9
117.07050	1.2
122.03639	3.8
124.05217	1.4
133.06490	50.3
134.06857	0.8
135.04453	0.7
137.05975	100.0
138.06287	2.6
145.40956	0.6
150.06789	1.2
151.07585	1.1
163.07516	4.1
165.09119	23.3
175.07550	3.2
175.11206	1.0
177.09106	1.0
181.08621	1.4
183.10133	3.6
203.10719	1.5
209.11671	0.9
221.11719	2.2
239.12807	0.7
264.48767	0.6
271.19623	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.6
57.03437	5.6
58.59256	1.1
61.09953	1.3
65.03969	1.3
67.05493	2.1
71.30718	2.0
75.04471	3.6
79.05491	5.4
81.07047	3.1
91.05480	2.3
93.07054	3.3
94.04186	1.3
95.08615	1.6
98.97585	1.4
103.05464	3.3
105.07027	29.4
107.04952	4.5
107.08604	1.2
109.06534	2.0
117.07047	1.7
119.08606	1.8
121.06485	1.5
121.10137	1.0
121.36247	1.2
122.03645	4.5
131.08517	1.7
133.06491	44.7
133.10135	1.5
134.06854	1.9
135.04375	2.1
137.05972	100.0
138.06319	2.0
152.07079	1.3
163.03877	2.2
163.07536	5.6
165.09100	24.0
175.07498	2.3
175.11119	1.3
177.09109	1.3
181.08578	2.3
183.10211	3.2
183.59421	1.1
197.09662	1.2
203.10640	2.0
203.21315	1.2
211.07692	1.9
229.08627	5.1
244.56548	1.1
257.04401	1.8
257.08139	4.4
257.11740	2.8
257.16443	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	257.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.6
57.03435	6.2
69.01530	0.5
69.02062	5.0
75.04472	2.2
79.05498	3.5
84.32671	0.5
86.46204	0.5
91.05482	1.7
94.04150	1.3
95.04980	0.7
96.25314	0.5
98.22603	1.0
103.05462	3.6
105.07027	34.8
106.07362	0.9
106.74601	0.5
107.04939	2.6
109.06511	0.7
114.08705	0.5
115.05431	0.8
117.07029	0.6
122.03650	4.4
124.05194	1.2
133.06494	46.2
134.06816	0.9
135.04401	0.9
135.08025	0.6
137.05975	100.0
138.06285	1.7
139.30844	0.5
151.07565	0.6
163.07544	4.3
165.09122	22.7
166.09538	0.7
175.07500	3.6
177.09058	1.2
181.08614	1.7
183.10176	3.3
203.10677	1.3
209.11710	1.3
221.11734	1.9
240.30522	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1899
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03938	0.8
55.01874	1.4
55.05262	0.8
55.05511	8.8
57.03438	2.1
57.07081	4.1
58.06597	1.6
59.04984	0.7
60.08164	7.2
61.08494	0.9
65.03943	1.3
67.05505	21.7
69.07077	4.5
70.43294	0.5
71.04987	1.2
71.08621	1.3
79.05491	5.3
81.07061	11.1
83.04984	0.7
83.08608	2.7
85.06535	1.0
85.10178	0.6
91.05476	15.9
93.07035	3.3
95.04398	0.6
95.04970	0.9
95.08611	6.4
97.06488	1.1
97.10201	0.9
98.22423	0.9
98.97569	1.1
105.07027	12.9
107.08598	3.3
109.10162	5.2
111.08064	0.6
115.05431	2.5
116.06256	4.0
116.98620	1.2
117.07011	11.3
119.08578	4.2
121.06540	0.7
121.10095	1.1
121.16108	0.5
123.08064	0.6
125.09614	0.8
128.06203	5.5
129.07008	9.3
130.07828	4.0
131.08565	100.0
132.08905	2.2
133.06477	1.6
133.10107	2.6
135.11711	0.9
141.06999	3.0
142.07814	4.1
143.08566	27.6
145.06519	3.2
145.10123	73.2
146.10440	1.5
147.08026	2.1
147.11714	2.2
154.07823	0.7
155.08553	7.5
156.09135	0.9
157.10127	16.5
158.07239	1.3
159.08073	1.7
159.11691	9.7
161.09604	2.2
161.13266	0.9
168.09357	1.1
169.10143	8.3
169.65677	0.6
171.11696	12.8
173.09595	1.2
173.13261	2.9
175.11215	1.6
182.10962	1.5
183.11693	11.3
185.13242	2.8
187.11185	7.9
187.14827	0.9
189.12762	1.3
196.12358	0.8
197.13287	7.9
199.14842	1.1
201.12758	1.2
211.14813	1.9
213.16171	0.7
215.14322	2.1
215.17928	1.2
229.19525	1.3
239.17940	11.3
239.20309	1.0
240.18240	0.7
242.09308	0.8
256.30005	5.9
257.08008	1.3
257.11789	3.0
257.19000	61.5
257.22760	1.9
257.30322	27.4
258.19312	2.4
258.27945	7.0
261.01974	0.6
274.97433	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1899
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
52.23999	1.1
53.03932	2.0
55.05515	5.8
56.96557	1.3
57.07082	6.4
58.07392	2.1
67.05517	6.8
69.07063	4.8
69.20664	4.7
69.21101	4.7
70.06584	8.2
71.04976	4.3
71.06927	3.3
71.08622	1.7
73.37112	1.0
79.05481	4.9
81.07048	7.1
83.04990	2.1
83.08603	3.4
85.06530	3.1
88.07639	8.4
89.07966	4.6
91.05477	9.6
93.07057	8.7
95.04961	2.8
95.08616	10.1
97.00190	1.2
97.06523	2.3
97.10154	1.8
98.97574	5.4
99.08085	1.5
102.09164	8.3
102.98475	1.1
103.05436	1.4
103.09528	3.8
105.07025	15.3
107.08588	10.9
109.06519	4.6
109.10172	9.2
111.08120	1.7
112.72861	1.0
115.05431	2.6
116.98606	3.5
117.06986	8.5
119.08576	15.2
121.10143	32.8
123.08047	3.1
128.06223	2.7
129.07013	6.4
131.08559	18.2
133.10123	10.1
134.78194	1.2
134.99620	1.5
135.08072	7.9
135.11696	1.9
137.09651	3.4
141.06972	2.5
141.14021	1.3
142.07782	7.5
142.84674	1.2
143.08549	12.2
144.09305	3.2
145.06503	1.6
145.10118	19.5
146.07324	2.4
147.07986	1.5
147.11650	3.6
149.09612	3.1
149.49014	1.2
155.08521	5.2
156.09363	3.1
157.10121	21.8
158.10902	4.5
159.08057	2.0
159.10370	1.6
159.11696	26.8
161.09612	36.9
161.13231	2.3
163.11166	2.9
167.08572	1.1
168.09337	2.2
169.10133	10.5
170.10849	2.2
171.11678	12.5
172.08855	1.7
173.09618	4.2
173.13261	24.8
174.13965	3.5
175.11145	3.6
175.14816	2.7
177.12778	2.4
182.10867	1.7
183.11676	10.0
184.12418	1.9
185.13203	4.4
187.11186	15.0
187.14841	4.4
189.12714	2.1
197.13289	9.2
199.14828	24.8
200.15256	1.1
201.12680	7.4
211.14975	2.1
213.16405	8.3
214.17105	1.8
215.14328	3.6
215.17873	7.3
224.15710	1.4
229.19490	1.2
239.17900	14.1
256.26355	1.7
257.08069	3.8
257.14908	3.1
257.19006	100.0
257.26663	75.7
258.19351	4.6
258.27985	1.6
274.97424	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	257.1899
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
50.48241	0.6
53.03938	1.2
55.01872	1.7
55.05509	10.4
57.03426	1.5
57.07059	3.1
58.06600	0.8
60.08168	7.9
61.08488	0.9
65.03938	1.1
67.05505	25.1
69.03378	0.9
69.07067	6.5
69.30035	3.1
69.30442	1.6
71.04987	1.0
71.08617	1.2
76.67390	0.6
79.05495	14.5
81.07056	15.3
83.05000	0.8
83.08632	3.6
85.06509	0.8
88.07518	0.6
91.04945	1.3
91.05480	21.6
92.05759	0.7
93.07051	10.5
95.04973	0.9
95.08025	1.3
95.08607	18.6
97.06569	1.3
97.10165	1.2
98.22648	1.5
103.05452	0.8
105.07030	23.2
105.07731	1.5
107.04963	1.2
107.08578	7.7
109.10149	7.2
115.05476	2.0
116.06232	2.0
117.07021	27.5
119.08582	16.0
121.06540	0.9
121.10136	6.1
123.08087	1.0
123.11637	0.8
125.09577	0.8
128.06219	4.5
129.07002	10.8
130.07788	3.7
131.08566	35.0
133.06480	1.6
133.10133	16.0
135.08025	0.9
135.11676	2.7
137.09608	0.8
141.07018	4.3
142.07747	3.1
143.08554	16.0
144.09334	1.5
145.06488	7.3
145.10124	76.0
146.10463	1.7
147.08035	2.8
147.11671	12.0
149.09642	1.9
153.06982	0.8
154.07732	1.6
155.08533	6.7
156.09314	0.9
157.10133	12.6
158.07248	1.3
158.10777	0.9
159.08051	2.9
159.11702	23.1
161.09610	3.6
161.13217	3.1
163.11166	1.1
168.09329	1.3
169.10127	11.1
171.11682	18.8
173.09604	2.6
173.13243	9.2
175.11238	3.5
175.14810	0.8
182.10814	1.0
183.11705	12.3
185.13271	3.5
187.11183	15.7
187.14796	5.4
189.12730	1.4
196.66158	0.8
197.13257	9.9
199.14806	1.5
201.12714	1.8
201.16370	1.6
211.14818	1.9
213.16362	3.1
215.14290	3.4
215.17923	2.3
229.19510	44.3
239.17958	14.2
254.81700	0.8
256.29974	7.7
257.08029	1.9
257.11624	2.6
257.18997	100.0
257.30313	32.5
258.19305	4.7
258.27933	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	257.211
Annotation	Pterocarptriol
Peak:m/z	Relative Intensity
55.01863	6.3
55.05512	23.4
57.03431	3.0
57.07072	16.2
60.21128	2.7
64.60516	2.8
67.05505	34.0
69.03428	4.6
69.07066	63.2
71.04990	40.5
79.05477	20.2
81.07053	86.6
83.04989	5.5
83.08618	10.2
85.06534	25.3
91.05466	19.4
93.07036	43.0
95.08602	86.1
97.06527	36.4
97.10161	15.2
98.97570	7.4
99.08109	8.6
105.07022	39.3
107.08583	58.4
107.09249	4.6
109.10148	49.8
111.08099	15.0
111.11729	4.1
116.98634	4.0
117.06971	4.4
119.08582	49.5
121.10149	52.7
123.08056	6.8
123.11709	23.4
125.09627	5.9
127.11188	4.1
129.07051	3.5
131.08560	7.4
133.10132	31.7
135.11674	20.7
137.09592	7.5
137.13234	18.4
138.13695	3.3
139.11189	8.7
140.03989	3.3
141.07018	6.9
143.08565	5.2
145.10126	6.3
147.11690	38.5
149.13303	8.1
151.11200	9.2
151.14926	3.7
156.13849	17.9
159.11710	8.9
161.13260	31.1
163.03893	6.6
163.14888	8.3
165.12759	26.1
167.14333	3.2
169.06401	4.1
173.13168	3.6
175.14842	13.8
177.16426	13.2
179.14287	36.0
183.08014	3.3
184.13388	14.6
187.14803	4.3
197.09676	3.3
197.15250	4.3
203.17941	46.4
214.06157	3.0
221.18983	56.0
224.56631	3.3
225.09084	3.7
229.08737	9.0
229.13400	4.6
239.20070	100.0
240.20375	5.5
242.10696	3.7
257.07916	17.2
257.12006	10.2
257.15375	5.0
257.18915	7.2
257.20856	15.1
278.29114	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	257.2111
Annotation	Bullatantriol
Peak:m/z	Relative Intensity
55.01864	6.9
55.05511	29.6
57.03423	6.8
57.07070	9.5
67.05502	47.1
69.03413	7.4
69.06705	4.4
69.07064	54.5
69.11265	18.2
69.11668	5.8
71.04990	44.8
71.08617	3.2
72.91534	3.5
77.65004	2.7
79.05483	28.0
80.81262	2.7
81.06565	4.2
81.07052	84.8
83.04980	5.3
83.08617	18.1
85.06538	29.6
91.05472	23.6
93.07046	48.0
95.04961	6.9
95.08600	100.0
96.08942	4.3
97.02864	2.7
97.06525	36.8
97.10160	14.1
98.97559	5.9
99.08070	7.2
105.07023	45.3
107.08583	66.9
109.06505	5.0
109.10153	57.1
111.08046	13.9
113.06003	4.7
116.98617	4.4
117.06981	3.3
119.08575	44.0
121.10141	56.1
123.08086	5.7
123.11709	14.1
125.09631	7.2
127.11184	5.8
131.08549	5.5
133.06459	4.1
133.10117	33.0
135.11685	27.3
137.05974	6.8
137.09601	9.1
137.13274	22.6
139.11234	6.7
143.08563	4.3
145.10120	9.8
147.11659	35.6
149.13278	8.6
151.11156	11.0
155.78937	2.7
157.10097	4.4
159.11696	6.5
161.13220	23.6
163.14836	15.3
165.09100	3.4
165.12733	26.2
167.14333	4.4
169.10153	3.6
171.11729	5.2
175.14807	9.1
177.16403	18.8
179.14293	28.4
183.07945	4.1
183.11699	6.2
185.64566	2.8
194.50658	3.2
197.05959	3.3
197.13234	3.6
201.16391	3.7
203.17957	46.7
221.18983	55.1
227.03471	4.0
229.08630	5.7
239.17702	4.9
239.20039	88.0
242.05705	7.4
257.08035	26.8
257.11758	11.4
257.15384	5.8
257.18936	9.5
257.21213	11.5
258.08368	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	257.2111
Annotation	Bullatantriol
Peak:m/z	Relative Intensity
53.03946	6.9
55.01869	9.0
55.05513	40.6
57.03428	8.0
57.07067	11.2
58.52671	3.6
67.05503	48.3
69.03434	7.0
69.07071	75.9
71.04992	49.6
79.05470	25.6
81.07052	76.9
83.04990	8.0
83.07314	4.1
83.08626	21.7
83.45857	3.5
85.06543	29.9
87.04413	3.7
91.05476	27.8
93.07049	50.6
95.04977	7.2
95.08604	100.0
97.06537	36.8
97.10169	19.7
98.97583	14.1
99.08102	12.2
102.20934	4.2
105.07025	44.6
107.08593	66.8
109.10164	56.5
111.08096	18.4
111.11711	5.8
116.98608	5.0
117.07043	9.8
119.08593	53.7
121.10137	58.6
123.08084	11.0
123.11717	23.5
125.09621	6.2
131.08556	15.1
131.33026	3.8
133.10130	38.4
135.11716	28.8
135.56427	3.7
137.05991	4.4
137.09564	9.1
137.13264	17.4
139.11203	13.2
145.10126	11.8
147.11678	37.5
149.13315	10.6
151.11163	5.8
152.07066	5.3
157.10141	6.8
159.07953	4.6
159.11676	10.3
161.13248	16.5
163.14836	16.5
163.23364	4.3
165.12720	29.0
169.06474	5.8
169.10162	7.5
173.13229	7.1
175.14853	13.2
177.16411	18.3
179.14314	32.3
183.11659	4.8
187.07564	7.2
197.06013	6.1
197.09657	5.7
203.17909	48.3
221.15598	4.6
221.19003	47.5
229.08562	12.1
239.20032	81.3
242.05698	5.7
257.08136	21.9
257.11777	16.1
257.15265	8.9
257.18887	11.1
257.20773	5.0
257.22711	16.0
274.97574	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	258.9978
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98623	0.3
56.96568	8.7
69.84904	1.2
70.95650	0.2
71.95267	2.2
84.08142	0.4
85.02915	0.2
97.02892	0.5
98.97583	100.0
99.97916	0.4
100.97190	0.8
100.97991	0.7
101.00865	0.6
116.98621	41.7
118.98221	0.6
118.99019	0.4
119.01913	0.8
121.01665	0.6
131.01779	0.3
133.03444	0.3
134.99651	10.4
140.00182	0.6
143.01816	0.4
148.53944	0.4
153.00676	0.6
187.04483	0.3
199.07555	0.4
216.98657	0.5
217.02034	0.3
217.08504	0.5
219.01979	0.3
220.56116	0.4
234.99550	0.4
240.98601	3.3
241.00468	0.3
258.99762	39.4
259.99985	1.7
263.02847	0.6
277.00806	44.8
278.00970	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	258.9977
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98638	0.3
56.96278	0.5
56.96564	9.3
59.80005	0.3
69.03432	0.4
70.06586	1.1
70.12830	0.9
71.95267	2.3
73.87947	0.2
84.08157	0.3
89.70889	0.2
96.11536	0.3
97.02886	1.5
98.97581	100.0
99.97924	0.6
100.02195	1.9
100.07625	0.3
101.00909	0.6
110.97550	0.3
111.05582	0.5
116.98621	49.4
117.98974	0.4
119.01931	1.0
131.01945	0.3
133.03441	0.4
134.99652	13.6
140.00201	0.6
146.02713	1.9
153.00702	1.0
153.01834	0.7
155.01912	0.4
158.01244	0.6
161.02930	0.4
171.05151	0.3
171.09303	0.3
173.03023	0.4
187.04372	0.3
199.07436	1.3
207.03427	0.3
213.06993	0.5
216.98645	0.6
217.01970	0.4
217.08339	1.2
219.01945	0.7
229.08783	0.3
231.02887	0.5
234.99683	0.6
240.98634	2.6
241.09824	0.6
258.99762	40.0
259.06772	0.8
259.13455	0.5
259.99973	1.9
277.00809	47.5
278.01007	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	259.0213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52024	1.2
55.05511	1.1
57.03429	3.2
58.06606	1.4
67.05476	1.7
69.03432	11.3
69.11945	11.4
70.06580	11.2
72.04496	1.9
75.50684	1.3
81.03407	2.2
82.05341	1.7
83.06103	3.8
84.08138	2.8
85.02903	9.6
85.06534	3.6
96.04488	2.1
97.02888	100.0
98.98440	1.1
100.07623	17.6
104.10705	6.5
105.11067	7.5
107.18932	1.1
109.02882	3.6
111.05566	31.9
112.07543	1.4
114.05504	5.0
116.07078	2.0
119.01928	1.2
125.00002	2.5
126.00311	1.1
127.03911	1.2
128.07072	2.7
135.09207	1.6
135.91499	1.2
137.10667	1.6
138.05345	1.3
138.09140	2.3
139.03925	1.2
157.06065	10.0
158.70169	1.4
160.09637	1.4
167.08157	3.3
175.11971	1.8
185.07671	1.5
197.13835	1.2
199.07536	4.3
200.09204	1.9
213.08739	2.6
213.12366	6.8
224.09140	2.0
231.02716	1.6
236.94131	4.1
241.09132	1.1
254.95079	5.9
257.32608	1.3
259.02246	3.7
259.06595	1.5
259.09259	3.6
259.12912	35.7
259.16382	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	259.0213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34711	5.5
51.52577	5.4
56.20003	7.3
56.96539	13.5
69.03408	10.1
70.06577	26.8
70.88844	15.5
84.04495	7.7
84.08155	14.1
85.02857	9.2
91.05463	10.3
97.02881	67.4
98.97573	100.0
100.11252	7.7
107.04941	6.8
109.02888	8.8
111.04420	16.5
116.98616	71.9
134.99629	49.3
139.03914	20.4
142.08636	6.9
149.02364	11.4
157.06372	6.2
163.03836	9.2
181.04944	15.0
199.07507	7.3
213.05460	26.1
213.07381	10.0
224.09262	9.4
227.05447	12.7
231.06519	21.5
241.04955	15.4
258.99728	47.1
259.02219	16.8
259.06256	49.1
259.13730	9.3
259.16608	10.1
277.00665	66.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0425
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59293	1.3
55.06793	1.2
56.96563	1.4
68.99744	1.4
69.82783	6.3
70.06578	3.5
81.07001	1.8
84.08073	1.2
91.05489	1.5
97.02870	5.5
98.23237	1.8
98.97598	10.0
109.02855	3.2
110.00395	1.2
114.05504	1.7
114.09132	1.5
116.98624	7.8
134.99625	3.7
149.02296	2.9
164.52429	1.3
185.05939	2.7
186.99261	1.4
213.05403	3.7
224.09087	2.0
231.06419	4.4
241.04771	2.7
242.10648	1.3
256.11273	1.5
257.33112	1.2
258.99701	3.4
259.04166	100.0
260.04361	1.9
277.00717	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	259.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	14.4
55.01870	12.0
55.05516	20.0
56.05033	32.7
57.03439	7.2
58.99578	11.9
59.05015	3.3
61.01122	2.4
61.02916	3.2
65.03645	2.3
65.03938	16.6
67.05502	15.6
68.02665	5.9
68.99794	5.5
69.03426	29.7
69.07062	8.6
69.25309	21.2
70.02954	6.5
71.04993	3.7
73.02930	3.4
76.02223	3.0
79.01878	4.2
79.05502	36.2
80.02641	3.3
80.05019	3.1
80.72712	2.8
81.03423	13.6
81.07062	10.3
83.04984	20.4
83.96479	2.6
84.04494	5.1
84.08151	4.6
85.01144	17.6
85.02917	15.6
85.06553	11.1
85.29394	3.1
86.00658	11.3
86.99078	5.6
87.02698	5.4
91.05468	12.6
93.03410	10.8
93.07066	5.3
94.04175	9.4
94.06577	4.7
94.65422	2.4
95.01321	3.0
95.04977	48.5
95.08614	11.7
96.08145	3.9
97.01138	4.1
97.02889	25.1
97.06544	8.7
98.09697	55.9
99.04470	4.0
100.11250	3.0
102.05556	10.9
103.03943	2.8
105.03398	33.7
105.04506	3.8
105.07062	7.4
107.01311	3.7
107.04950	12.5
108.02088	7.6
109.02887	7.1
109.06525	20.8
109.10169	4.3
110.03684	3.2
110.09686	6.9
111.03669	4.3
111.04442	86.9
111.08099	3.3
112.03956	6.4
113.04239	22.9
114.03709	2.5
115.03944	4.5
116.01643	17.4
119.04948	3.2
119.08555	4.9
121.02872	32.6
121.06519	4.1
121.10153	4.8
121.28989	2.5
122.03629	15.4
122.09703	5.7
123.04459	8.7
125.02398	4.1
125.05997	23.9
125.09646	8.6
127.01589	8.4
127.03957	12.3
127.07594	3.4
129.07016	6.4
130.04987	4.8
130.06854	6.8
131.08563	4.9
133.02884	5.7
135.04434	22.3
137.02338	4.4
137.05984	25.5
138.03174	6.1
139.03902	82.4
139.04971	4.5
139.07478	3.7
139.11172	7.7
141.05519	8.8
141.06953	2.6
141.09097	2.7
143.02702	2.7
143.07024	3.0
143.08531	2.7
144.01195	3.4
145.06041	3.8
146.17293	2.7
147.04424	3.2
147.08069	3.0
149.02362	39.1
150.03108	2.6
151.03893	20.1
153.01842	2.5
153.05484	40.6
153.06943	4.2
155.03381	4.8
156.08414	34.9
156.10216	35.0
157.06534	2.7
161.06023	2.5
162.02167	4.5
163.03906	26.9
165.01849	11.1
165.05508	6.3
167.03455	17.8
167.07063	7.3
169.04959	15.2
171.06593	5.8
181.04962	35.7
181.06438	4.2
183.06546	2.5
183.08102	3.8
185.04536	3.7
185.05939	3.6
191.03430	2.9
195.02975	7.1
195.06540	6.8
197.04478	13.9
199.06013	100.0
199.63220	2.9
203.07126	16.9
205.12231	3.0
209.04453	21.2
213.05463	6.2
216.06938	11.8
223.13261	7.3
227.05515	10.1
231.03009	3.8
231.06509	38.2
241.04860	4.9
241.07010	24.5
259.02316	4.4
259.05893	34.9
259.11307	59.2
260.08575	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0965
Annotation	Wyerone
Peak:m/z	Relative Intensity
52.53534	0.4
55.05474	0.8
59.91560	0.3
64.44515	0.3
67.05470	0.9
69.03390	0.6
69.07021	0.9
69.56470	0.9
69.56879	0.9
71.04974	0.6
79.05452	0.9
81.07017	1.1
85.06519	0.4
91.05444	1.1
93.07004	1.4
95.08604	1.6
97.02850	0.4
97.06515	0.4
103.42226	0.3
105.06987	1.4
107.08537	1.1
109.10117	0.6
115.05411	0.8
117.06967	0.9
119.08575	1.9
121.10077	0.7
128.06198	2.7
129.06938	0.6
131.08537	0.5
133.10120	0.6
137.05945	0.5
139.05417	29.8
140.05713	0.9
141.06987	0.8
142.07724	0.7
143.08514	1.2
145.06441	0.8
145.10066	1.0
147.04402	0.4
147.08031	0.7
147.11681	0.3
149.02272	0.3
149.13239	0.5
152.06104	0.5
155.04916	1.7
155.08557	0.5
156.05695	5.3
157.06453	0.6
157.10123	0.5
159.08051	0.4
159.11633	0.6
161.09572	0.4
163.14743	0.4
167.03493	0.6
167.04915	10.7
168.05606	1.3
169.06468	0.7
170.07202	0.4
171.08049	1.8
171.11734	0.5
173.05965	0.8
174.06842	0.4
183.04402	1.2
184.05193	10.7
185.05881	1.4
185.09586	0.5
185.13258	0.4
188.08273	0.3
189.09023	0.4
195.04407	33.2
196.04927	1.4
197.05934	0.6
199.07539	14.4
199.14796	0.6
201.05447	1.0
201.09178	0.4
212.04671	17.6
213.05374	2.1
213.09277	0.4
213.12723	0.6
213.16350	0.6
215.07010	0.6
223.14792	0.3
227.07010	100.0
228.07433	3.7
229.04910	1.6
231.10164	0.7
241.12262	0.7
244.07239	1.2
250.82335	0.3
259.09662	22.9
259.13217	1.5
259.16971	1.4
259.20523	1.5
259.24133	1.0
260.10004	0.6
263.53668	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0965
Annotation	Rhapontigenin
Peak:m/z	Relative Intensity
55.01876	0.2
55.05511	0.2
56.05029	0.4
57.07071	0.7
57.41745	0.2
67.05489	0.5
67.57426	0.2
69.03411	0.4
69.07071	0.4
69.17752	1.0
69.18175	0.8
74.06075	0.8
79.05490	0.6
81.07061	1.1
83.23007	0.2
85.06519	0.2
88.07628	2.5
91.05482	0.7
93.07026	0.5
95.08597	0.7
97.02884	0.4
98.23380	0.3
105.07013	0.8
107.08572	0.5
109.10134	0.4
117.07048	0.2
119.08587	0.9
120.06628	0.2
121.06541	0.2
121.10156	0.5
123.08031	0.2
128.06203	1.3
129.06956	0.2
131.04874	0.2
131.08604	0.5
132.10204	0.4
133.06430	0.2
133.10156	0.5
137.05988	0.4
139.05418	6.4
142.07751	0.2
143.08513	0.4
145.06453	1.3
145.10124	0.5
147.08105	0.4
147.11693	0.2
149.09494	0.2
153.07018	0.3
155.04895	2.2
156.05698	1.5
156.09312	0.3
157.06464	0.5
157.10133	0.3
159.04370	0.3
159.11678	0.5
161.06068	0.3
161.09589	0.3
161.13263	0.3
167.04910	1.9
167.08281	0.2
168.05687	0.3
171.08037	0.4
171.11661	0.5
173.05983	2.7
175.07492	0.4
175.11156	0.2
175.14801	0.3
183.04413	6.8
184.05191	9.2
185.05920	1.4
185.09608	0.2
185.13248	0.3
188.08270	0.2
189.09001	0.2
195.04411	8.3
196.05093	0.6
197.05937	0.2
198.06795	1.7
199.07556	2.8
199.14798	0.3
200.04681	0.4
200.08055	0.2
201.05469	17.0
201.16376	0.4
202.05829	0.5
211.03925	1.9
212.04677	14.5
213.05455	4.2
213.12717	0.2
213.16452	0.4
214.21700	1.3
215.07025	0.6
216.07852	1.3
226.06320	1.0
227.07014	4.1
228.07834	0.6
229.04958	24.5
230.05261	0.6
241.16106	0.3
243.06517	0.5
244.07286	3.5
259.09644	100.0
259.20493	0.9
259.24341	0.6
260.09970	3.5
260.22214	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	259.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.3
55.05514	1.8
56.33002	1.6
57.03433	2.2
66.18186	1.9
67.05498	3.8
69.03427	10.1
69.07068	3.0
69.60754	10.3
71.01331	1.8
76.11183	1.7
81.03418	5.5
81.07050	4.0
83.04973	3.3
84.08159	2.0
85.02906	6.0
85.06516	2.6
88.90791	1.6
91.05455	2.3
93.07063	2.1
95.08636	1.8
97.02892	13.2
98.23318	2.7
98.97563	9.1
99.04416	2.0
105.06992	2.8
107.04944	3.1
109.02928	2.6
109.06509	2.6
111.04433	3.2
111.05569	7.8
116.59904	1.8
116.98623	6.4
117.06992	2.4
119.08557	2.0
121.02852	3.8
123.04439	4.1
125.07159	2.1
127.03896	2.2
128.06268	2.1
129.06982	2.6
131.04929	1.9
134.99673	3.3
135.04440	3.9
137.06015	2.6
137.09584	2.5
140.04677	2.3
140.99940	2.1
149.02344	8.4
150.84860	1.8
153.01846	2.5
157.06519	2.8
160.44539	1.7
161.06024	3.0
163.03856	3.4
167.03525	2.2
167.07025	11.6
169.05054	1.9
169.06493	2.3
170.05714	4.1
171.07973	1.7
181.06422	4.6
185.06006	3.3
189.05403	2.5
198.06885	2.2
199.07664	3.2
203.07057	4.8
210.18021	1.9
213.05492	6.9
217.05099	3.9
227.07076	2.6
231.02831	4.2
231.06491	17.1
241.04860	2.9
241.15443	2.9
258.99857	3.6
259.02356	8.6
259.05930	20.1
259.11536	100.0
277.00815	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	259.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.5
55.01865	1.4
55.05504	1.7
56.96586	0.5
57.03236	0.3
57.03441	3.8
59.04988	0.5
61.02913	0.7
64.12289	0.4
65.03938	0.9
67.05486	1.7
68.99784	0.8
69.03427	21.4
69.07076	2.4
71.01350	0.9
71.04986	0.8
71.30719	0.8
73.02900	1.2
73.06548	1.2
74.71632	0.4
75.04477	0.4
78.04713	4.8
79.05489	2.0
80.73978	0.3
81.03411	4.2
81.07046	1.5
83.04984	1.0
85.02893	4.7
87.04460	0.7
87.08092	1.1
91.05464	1.5
93.03420	0.7
93.07039	1.1
95.04961	3.8
95.08604	0.7
97.02891	31.7
97.06513	0.9
97.10160	0.8
98.97565	0.9
99.04438	1.2
100.07581	0.5
100.11250	0.9
101.06007	1.3
103.03936	0.5
103.05457	0.4
105.03381	1.7
105.07014	1.0
106.04179	4.3
107.04948	1.9
109.02888	4.0
109.06554	0.5
110.03665	0.6
111.04435	1.5
114.09167	6.0
115.03957	0.9
115.05457	0.5
117.07008	0.6
119.04910	0.5
121.02914	1.0
121.06404	0.7
121.10086	0.5
123.04424	11.8
124.05244	3.1
125.02328	1.7
125.05994	0.9
127.03917	5.3
127.07555	2.7
128.06189	0.8
129.05489	0.6
129.07034	1.0
131.04857	0.5
134.03642	4.5
135.04399	1.0
137.02316	1.8
137.05959	1.1
137.09630	0.6
138.03127	5.7
139.03897	1.3
139.07552	0.5
140.04686	11.6
140.05785	0.6
141.05482	5.2
141.06570	0.7
143.08626	0.5
145.04941	0.9
147.04393	1.0
149.02321	3.6
149.05957	0.7
151.03812	2.4
151.07535	0.4
152.04691	6.4
153.05486	2.1
153.06871	0.4
155.03387	1.7
155.07024	13.7
157.06480	1.1
161.05991	0.5
163.03868	1.0
167.07034	100.0
168.07382	1.5
168.99562	0.5
169.04930	1.6
169.06293	0.6
169.07631	0.6
170.05740	46.4
171.04494	0.5
171.06064	1.0
171.08002	0.5
173.08226	0.6
181.04939	0.5
181.06461	1.1
183.06500	2.1
184.05185	0.6
184.07358	0.5
185.05745	0.8
185.07088	1.0
186.09216	0.6
193.05032	0.5
197.05923	0.5
198.06621	0.5
199.07579	1.1
203.06982	0.7
213.05482	1.4
214.14345	0.9
227.07063	0.9
231.02914	0.5
231.06544	4.5
235.95680	0.4
241.04947	1.3
241.07088	0.7
241.10596	0.4
242.05589	0.4
242.13803	0.5
259.02490	0.8
259.06042	8.7
259.09677	1.4
259.20401	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2056
Annotation	(S,S)-traseolide
Peak:m/z	Relative Intensity
53.03940	2.4
55.01864	1.3
55.05265	1.9
55.05513	30.0
55.80830	0.9
57.03436	1.4
57.07077	5.6
58.06583	0.8
58.07402	1.2
63.05836	0.8
67.05502	11.9
69.07069	10.2
71.08631	7.3
71.31750	1.3
72.04513	1.1
79.05492	14.4
81.06618	1.6
81.07059	15.5
83.04972	1.1
83.08619	15.1
85.06533	1.3
91.05480	35.3
91.51907	0.9
93.07052	12.1
95.04968	3.0
95.08603	10.4
97.06517	2.2
99.08083	4.8
103.05479	2.2
105.07030	60.8
107.04940	4.9
107.08575	6.3
109.10143	3.0
115.05459	3.7
117.07021	33.6
119.04948	3.5
119.08589	22.8
121.06511	17.7
121.10138	3.6
126.84660	0.9
128.06219	6.5
129.06097	1.7
129.07010	28.8
130.07761	1.9
131.08568	26.3
132.08885	1.1
133.06494	45.2
133.10138	17.3
135.08046	3.3
135.11668	2.9
142.07777	3.0
143.08562	19.2
145.06454	1.3
145.10124	24.3
147.04411	1.0
147.08058	14.0
147.11716	16.5
148.10556	0.9
149.13182	1.0
156.09286	1.7
157.10139	16.8
159.11705	18.3
161.09666	2.6
161.13261	13.0
163.14943	1.1
171.11694	13.9
173.13268	8.5
175.11189	2.3
175.14828	3.2
177.12738	3.5
180.16930	0.8
185.13272	12.1
189.12750	92.3
190.13112	2.6
199.14795	6.1
203.14267	3.4
209.02129	0.9
213.16403	4.0
217.15833	1.2
231.21083	1.8
231.25076	6.9
241.19528	16.3
241.23532	3.1
259.20584	100.0
259.24524	9.5
260.20959	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	259.2056
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
55.05508	8.1
57.07061	3.3
59.04989	1.1
65.03967	1.1
67.05508	11.2
68.99773	1.4
69.03414	1.7
69.07066	31.8
69.09496	8.6
71.04991	17.8
79.05492	7.6
81.07056	15.6
83.04973	3.5
83.08622	7.8
85.06543	21.0
88.78421	1.0
91.05474	10.9
93.07042	13.1
95.04984	1.3
95.08601	19.7
97.06514	3.4
97.10155	2.2
98.05804	0.9
99.08130	1.3
103.05435	1.5
105.07024	22.9
105.07718	1.5
107.08599	17.4
107.40253	1.0
109.06535	7.1
109.10150	11.2
111.08081	7.4
111.11718	1.1
117.07005	7.7
119.08578	50.3
121.06529	1.3
121.10133	12.8
123.08089	1.4
123.11707	22.2
123.12508	0.8
125.09663	1.3
128.06232	1.2
129.01834	4.0
129.06985	3.3
130.07762	1.6
131.08559	14.4
133.10130	33.6
135.08063	8.8
135.11667	6.3
137.09612	4.1
137.13245	1.2
141.06960	1.2
142.07773	3.1
143.08542	8.7
144.09317	2.8
145.10120	33.7
147.08011	1.5
147.11676	18.1
149.09605	3.0
149.13252	3.4
151.11200	1.6
156.09361	4.4
157.10147	13.6
158.10834	1.2
159.11688	25.5
160.12463	3.7
161.09669	2.0
161.13258	25.8
163.11172	2.0
163.14856	1.2
165.12755	1.4
170.10905	2.3
171.11681	16.2
173.13257	10.1
175.11287	4.9
175.14816	76.3
176.15509	5.1
177.12755	3.3
177.16411	3.1
185.13231	14.3
187.14963	1.4
189.12732	4.1
189.16365	6.5
190.13507	4.4
191.14276	1.8
199.14824	5.0
201.16400	24.0
203.14313	9.9
213.12639	0.9
213.16376	1.7
214.72118	1.2
215.17952	4.4
215.19746	0.9
217.19487	3.7
218.69115	1.2
229.10229	1.5
241.19476	16.3
259.09821	2.6
259.13049	2.0
259.20572	100.0
260.20956	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	261.1444
Annotation	gamma-Glu-Ile
Peak:m/z	Relative Intensity
55.01882	1.1
56.05029	3.0
58.06594	2.4
64.44051	0.9
67.05489	1.3
68.99766	1.0
69.07045	1.6
69.31214	7.5
79.05485	1.6
84.04501	65.9
85.02878	1.9
86.06064	3.6
86.09702	100.0
93.07054	1.3
95.04943	2.7
98.23294	2.0
98.97576	2.2
102.96861	1.4
104.39956	0.9
107.04958	2.4
114.05502	2.9
115.05428	1.3
116.98598	2.2
119.08567	0.9
121.06493	1.7
123.04411	4.9
130.04991	7.8
130.06540	2.9
131.04935	2.1
132.10194	49.6
135.04417	1.1
138.15230	0.8
139.03932	1.3
142.04939	4.7
149.05962	1.1
151.03899	6.9
152.10728	2.0
158.05978	3.8
159.04376	2.2
163.03902	2.2
169.08649	1.6
170.06055	1.0
187.03905	1.2
198.11256	11.3
215.03372	1.7
224.67659	1.0
233.04463	2.9
243.06482	1.9
244.11784	12.3
261.03918	6.9
261.07495	3.9
261.12759	30.3
262.13223	1.2
278.96844	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67723	6.9
53.03937	10.8
55.01869	20.9
55.05510	39.7
57.03431	22.5
59.05000	7.0
60.37098	6.4
61.02921	19.6
65.56386	6.6
67.05498	60.2
69.03427	69.5
69.07063	64.7
70.67699	17.1
71.04999	31.8
73.02912	17.1
78.40181	5.6
79.05479	35.1
81.03421	23.5
81.07059	98.7
83.04978	28.6
83.08612	15.5
85.02895	41.4
85.06541	28.8
87.04446	33.5
91.03962	10.4
91.05479	46.2
93.07050	94.3
95.04970	30.8
95.08607	61.1
95.68682	6.6
97.02868	34.8
97.06540	18.1
97.10167	13.6
99.04469	14.1
99.08085	11.4
104.48063	6.1
105.07024	74.1
107.04935	8.5
107.08583	84.2
109.02897	7.0
109.06527	23.3
109.10148	100.0
111.04434	11.8
111.08092	25.8
111.11745	8.8
112.59251	6.1
113.09628	10.1
115.03974	17.8
115.05424	7.4
117.07041	19.1
119.08572	71.5
120.08109	26.6
121.06518	13.3
121.10143	41.8
123.04396	15.4
123.08095	18.3
123.11691	92.0
125.05946	7.9
125.09622	15.5
127.11200	27.2
128.06279	10.3
129.06982	10.5
131.08540	42.7
133.04945	20.2
133.10107	39.8
135.08116	11.6
135.11737	37.8
137.09634	16.9
140.78819	7.5
143.08557	16.0
145.10101	9.8
147.08037	18.2
147.11694	26.4
149.09633	32.4
151.03857	9.9
151.07625	11.5
151.11208	23.9
153.12762	17.0
159.11719	24.3
161.13260	26.4
167.10661	13.6
169.12218	13.4
171.11716	20.4
173.06067	7.9
173.08067	8.4
177.12759	28.6
185.10747	19.7
187.07497	9.2
189.12689	38.1
195.13849	28.3
201.13832	9.6
203.11676	7.9
207.13792	53.0
225.14819	46.2
243.15758	22.4
261.07678	19.6
261.11584	17.1
261.15982	46.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	10.8
55.01862	16.0
55.05510	44.5
55.36732	7.6
56.21339	7.6
57.03429	28.7
57.07055	17.9
57.73665	7.4
59.04991	14.7
61.02910	12.2
64.76804	7.1
67.05509	60.4
69.03419	69.7
69.07060	86.2
69.23472	9.0
69.42165	41.0
70.06601	11.9
70.62458	7.0
70.64780	7.1
71.04989	31.1
73.02896	10.1
79.05499	39.1
81.03398	13.5
81.07059	99.2
83.04980	24.6
83.08607	23.5
85.02894	48.5
85.06543	36.9
87.04457	48.2
88.07610	21.0
91.03940	11.0
91.05476	51.6
93.07047	100.0
95.04961	25.6
95.08608	62.1
97.02867	39.2
97.06555	11.2
97.10159	13.2
103.05429	9.4
105.07034	71.4
107.04941	13.0
107.08584	93.7
109.01829	7.5
109.06514	47.6
109.10137	72.6
111.08085	95.6
111.11716	10.8
115.03922	20.4
115.05453	8.1
117.07031	22.4
119.08570	85.5
121.06522	16.9
121.10139	51.9
121.57652	7.0
123.04398	11.4
123.08042	18.3
123.11708	93.5
125.09637	23.7
126.05537	8.2
127.07564	10.1
127.11189	66.0
129.06960	13.7
131.04926	10.8
131.08569	40.3
132.10229	24.1
133.04973	17.2
133.10150	34.1
135.08075	22.2
135.11676	37.7
137.09592	23.7
139.11182	12.5
143.08530	18.7
145.06454	9.3
145.10068	22.2
147.08046	19.3
147.11674	32.9
149.09604	30.9
149.13266	9.6
150.11278	13.3
151.03902	15.3
151.07555	18.9
151.11186	24.1
153.12776	16.2
155.08524	8.5
159.11717	45.9
161.09584	11.9
161.13234	41.0
167.10695	12.2
169.12161	17.8
171.11670	24.8
173.13321	8.5
176.14317	43.0
176.85239	8.2
177.05466	11.9
177.12759	31.7
179.14334	9.3
189.12746	38.7
195.13792	31.5
199.14830	11.0
201.16376	17.4
205.08701	11.2
206.13576	9.1
207.13762	56.5
215.03304	13.6
215.14270	10.9
218.07393	7.7
220.29158	8.3
225.12997	7.7
225.14838	45.4
243.15729	11.2
261.03876	7.5
261.07578	25.4
261.11362	17.7
261.14771	26.1
261.18527	31.9
262.18167	44.9
262.21313	12.0
262.23767	85.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1849
Annotation	Hamabiwalactone A
Peak:m/z	Relative Intensity
53.03939	0.6
54.09352	0.4
55.05516	2.6
57.07088	0.7
67.05502	4.4
69.07065	4.0
72.83743	0.3
79.05503	4.4
81.07065	5.5
83.08619	2.1
88.87618	0.3
91.05477	4.4
93.07047	8.0
95.08604	6.8
105.07030	6.9
107.08601	11.4
109.10167	5.0
111.08105	0.6
117.07024	2.7
119.08586	13.6
120.93195	0.3
121.10150	6.7
123.11710	1.5
125.06039	0.3
129.06978	0.4
129.25046	0.4
130.07724	0.9
131.08582	6.6
133.10132	3.9
135.08022	0.5
135.11691	2.5
137.09680	0.4
139.07492	0.3
143.08582	0.4
144.09332	1.1
145.10133	16.2
145.88501	0.4
146.10649	0.6
147.11681	4.7
149.13326	0.6
151.07526	0.5
153.09097	1.1
157.10097	0.6
158.06006	0.4
159.11697	16.7
160.12209	0.5
161.13286	2.6
163.07521	0.8
171.11696	0.8
172.12488	0.6
172.29565	0.3
173.13277	7.4
175.14841	1.3
177.09129	0.8
179.10689	0.8
185.13214	0.5
186.14073	0.6
187.14864	2.2
191.10683	1.1
193.12260	1.4
200.15616	0.6
205.12201	0.6
215.17957	100.0
216.18311	3.7
217.19498	1.5
233.19080	1.0
243.17424	1.3
243.21109	1.7
261.07675	0.5
261.12204	1.1
261.18503	24.0
261.22098	4.6
262.18866	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1848
Annotation	Hamabiwalactone A
Peak:m/z	Relative Intensity
55.05495	1.6
57.07064	0.5
58.06568	1.1
67.05489	2.7
69.07068	2.5
70.41268	0.8
70.41631	0.5
75.01649	0.4
79.05479	3.0
81.07047	3.7
83.08582	1.1
91.05470	3.1
93.07046	4.8
95.08091	0.5
95.08602	4.7
98.16961	0.3
105.04582	0.3
105.07036	4.0
107.08589	7.5
109.10139	3.9
111.08036	0.4
115.05430	0.4
117.07000	2.4
119.08572	11.6
121.10137	4.7
122.76216	0.3
123.11658	0.5
125.09572	0.4
127.98315	0.3
129.07024	0.4
130.06578	0.4
130.07735	0.5
131.08562	4.1
133.10127	3.1
135.11653	1.3
143.08546	0.7
144.09271	0.5
145.10112	12.3
146.10545	0.4
147.11662	2.0
153.09056	0.5
158.06044	0.6
159.11690	9.8
161.13235	0.9
171.11696	0.5
172.12498	0.5
173.13246	5.7
175.14828	0.5
177.09065	0.7
179.10666	0.9
186.14055	1.0
187.14748	1.6
193.12262	0.5
199.19115	0.3
200.15652	0.7
215.17932	100.0
216.18292	4.6
217.19449	0.8
233.12958	0.4
233.18932	0.7
243.17435	0.4
243.21063	0.8
261.12585	2.0
261.18481	31.3
261.22006	2.3
262.18839	1.9
271.07413	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03941	1.7
55.01863	1.8
55.05257	0.9
55.05510	11.3
57.03428	2.0
57.07076	2.8
59.04992	0.7
60.37041	0.5
65.03934	1.3
66.11553	0.6
67.05505	37.8
69.07069	14.5
71.04998	3.3
71.08628	0.8
71.50034	0.5
78.09458	0.5
78.39651	0.6
79.05495	39.2
81.03407	0.9
81.07059	42.4
83.04988	2.0
83.08628	6.6
83.27511	0.6
85.06531	2.6
88.07648	0.7
91.05482	27.6
93.07047	48.1
95.04972	3.7
95.08607	37.8
96.08931	0.7
96.92722	0.5
97.06531	3.2
97.10152	3.4
99.08080	1.8
105.04513	0.6
105.06351	1.3
105.07032	19.3
107.04954	1.3
107.08598	30.0
109.06523	4.1
109.10156	16.7
111.08095	2.7
117.07024	6.9
119.07748	1.2
119.08585	18.3
121.06482	1.2
121.10156	36.0
122.10421	0.8
123.08071	4.1
123.11718	4.5
125.09656	0.9
129.06999	1.0
131.08565	15.9
133.10130	14.4
135.08063	1.8
135.11690	25.4
137.09596	2.2
137.13290	1.3
139.11140	0.9
143.08513	0.6
143.44930	0.5
145.06491	0.7
145.10123	14.0
145.71436	0.6
147.08113	0.6
147.11684	15.7
149.09624	1.8
149.13260	11.2
150.13585	0.6
151.11157	1.6
153.12769	1.1
157.10179	0.7
159.11690	9.6
161.13258	14.7
162.13608	0.7
163.11221	0.7
163.14783	5.0
165.12762	2.2
173.13280	11.1
175.14828	5.7
177.12801	1.2
177.16399	1.9
179.14270	1.2
187.14822	7.0
189.16408	2.1
201.16409	3.4
203.17888	1.2
205.15851	1.2
215.17921	1.8
217.19478	1.2
228.88687	0.8
233.09647	0.6
243.13893	0.8
243.21080	23.5
244.21437	1.1
261.22144	100.0
262.22400	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2211
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03928	2.9
53.39659	0.6
55.01857	1.5
55.05253	0.9
55.05506	13.6
57.03429	1.5
57.07077	3.6
65.03931	2.3
67.05499	45.1
68.05831	1.0
69.07063	14.9
71.04971	2.6
71.08617	1.5
71.33628	1.1
77.03919	1.3
79.05485	58.0
80.05798	1.0
81.07048	49.5
82.07372	1.0
83.04961	0.9
83.08604	7.7
85.06541	3.8
86.09688	0.8
91.05471	31.6
93.07037	81.4
94.07365	1.1
95.04968	3.9
95.08598	38.0
97.06530	4.8
97.10149	2.5
99.08083	3.7
105.07021	22.2
107.08585	51.3
108.08891	1.2
109.06508	1.4
109.10149	15.5
111.08061	3.3
113.09650	1.1
113.15552	0.6
115.05431	0.9
117.06990	7.9
119.08572	22.6
119.09412	1.4
121.06506	1.0
121.10133	47.5
123.08039	2.1
123.11692	4.7
125.09610	0.8
129.07022	1.2
131.08553	18.4
133.10118	16.1
135.08073	1.2
135.11684	35.8
137.09567	1.2
137.13235	1.6
143.08543	0.7
144.92651	0.7
145.10110	21.9
147.11673	13.3
149.09576	1.8
149.13249	27.2
150.13472	0.9
151.11168	1.3
151.14850	1.1
153.12811	0.7
158.06030	1.1
159.11679	17.7
161.13239	12.6
163.11189	1.3
163.14809	15.8
165.12714	2.0
171.11679	0.8
173.13255	12.9
175.14807	4.4
177.16422	4.4
179.10620	1.1
179.14270	2.2
187.14793	7.6
189.16344	1.2
196.91040	0.6
201.16409	3.3
205.15817	1.2
215.17929	52.9
216.18224	2.0
217.19481	1.1
219.17482	1.0
230.94490	0.6
233.19038	0.7
233.22701	1.1
243.17328	0.9
243.21071	26.9
261.12415	2.5
261.18539	14.9
261.22101	100.0
262.19382	0.6
262.22232	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	261.2212
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03931	3.0
54.60035	0.8
55.01859	1.0
55.05251	1.2
55.05506	14.2
57.03439	1.3
57.07080	3.7
58.06588	1.1
65.03922	2.4
67.05502	44.1
69.07067	12.7
71.04975	3.0
71.08609	1.7
71.33356	1.0
71.33716	0.8
79.05489	64.8
80.05830	0.8
81.07053	48.9
83.04965	1.5
83.08618	8.3
83.09123	1.1
85.06536	3.0
91.05475	29.9
93.07040	84.0
95.04961	4.1
95.08603	34.8
97.06504	3.8
97.10148	2.1
99.08091	2.5
105.04511	1.2
105.07021	23.5
107.08587	47.7
108.08903	0.9
109.06487	2.2
109.10154	14.9
111.08063	2.3
111.11726	0.7
113.09644	1.1
117.07009	6.2
119.08581	16.5
120.08102	1.3
121.10141	40.0
122.10418	1.2
123.08041	2.2
123.11663	4.5
125.09620	0.9
131.08556	15.2
133.10120	13.9
135.11685	36.5
136.11919	0.8
136.74678	0.7
137.09601	1.7
137.13255	1.9
143.08559	0.8
145.10114	18.5
147.11674	12.9
149.09647	1.3
149.13248	26.5
150.13554	1.0
151.11183	1.1
151.14920	0.8
151.33635	0.7
153.12750	0.8
158.06009	1.5
159.11687	11.7
161.13243	12.1
163.14813	14.8
164.77695	0.7
165.12775	0.8
173.13269	10.4
175.14772	3.8
177.12820	0.7
177.16402	2.9
179.14330	1.4
187.14815	6.8
189.16380	0.8
191.14227	1.0
201.16412	3.5
203.18062	0.8
205.15874	1.0
215.17892	10.2
217.19542	1.0
219.17342	1.1
230.70465	0.7
233.18977	0.8
233.22682	1.4
243.21069	25.0
261.09186	1.1
261.12433	2.5
261.18796	3.2
261.22119	100.0
262.22366	3.4
262.28619	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2213
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02363	0.8
53.03947	4.1
55.01857	0.9
55.05263	1.1
55.05513	15.2
57.03417	1.9
57.07073	5.6
61.42996	0.8
65.03934	2.9
67.05505	47.8
69.06717	1.0
69.07069	13.4
69.07442	0.9
70.34229	1.6
70.84811	0.6
71.04988	2.4
71.08607	1.7
77.03922	1.6
79.05492	77.9
80.05833	1.2
81.07053	54.5
83.04400	0.7
83.04970	1.1
83.08620	7.8
85.06533	3.7
86.09717	4.8
91.05478	32.3
93.07043	88.1
94.07368	1.6
95.04967	4.7
95.08606	39.0
96.08923	0.7
97.06520	4.4
97.10206	3.4
99.08089	3.9
103.05466	0.8
105.04515	2.2
105.06453	0.4
105.07026	22.3
107.08593	56.9
108.08931	1.2
109.06502	3.2
109.10155	20.1
111.08097	4.0
113.09644	1.3
117.07016	6.7
119.06115	1.0
119.08578	19.1
120.08109	8.3
120.08897	1.1
121.10139	49.2
123.08060	2.0
123.11699	4.7
125.09592	1.9
127.11192	0.7
129.06912	0.9
131.08563	18.0
133.10127	15.0
135.11690	41.8
137.09610	1.5
137.13254	1.0
139.11205	0.9
145.10120	18.4
146.10396	0.6
147.11671	12.6
149.09540	1.0
149.13255	30.7
159.11700	12.9
161.13255	12.9
163.14818	17.7
165.12711	1.7
172.12323	0.8
173.13251	12.0
175.14853	4.7
177.12646	0.9
177.16386	5.6
179.14244	1.9
187.14835	7.5
201.16368	3.2
203.17967	0.7
205.15680	1.1
215.17932	7.8
219.17331	1.0
233.22737	0.7
243.21082	28.5
261.22128	100.0
262.22464	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	261.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.5
53.03938	2.3
55.01868	1.1
55.05507	14.2
57.03426	1.2
57.07073	3.5
65.03947	1.6
67.05500	41.9
68.05837	0.5
69.03409	0.4
69.07063	12.5
71.04992	2.4
71.08626	1.4
71.32677	0.5
73.06562	0.3
77.03931	1.1
77.78760	0.4
79.05489	59.6
79.17314	0.4
80.05821	0.6
81.03414	0.6
81.07052	44.5
82.07359	0.7
83.04964	1.2
83.08614	6.7
85.06541	3.2
85.10202	0.5
91.04878	0.4
91.05474	29.0
93.07039	75.3
94.07383	0.9
95.04967	4.2
95.08600	33.9
96.08958	0.4
97.06527	3.6
97.10150	2.8
99.08105	3.4
103.05425	0.6
105.04521	1.4
105.07025	20.1
106.07295	0.4
107.04966	0.8
107.08588	49.0
108.08936	0.7
109.06514	2.1
109.10148	14.6
110.10457	0.5
111.08073	3.2
111.11723	0.6
113.09617	1.0
115.05406	0.8
117.07011	6.3
119.06102	0.3
119.08576	15.7
121.10138	43.9
122.10421	0.7
123.08076	1.7
123.11702	5.0
125.09592	0.8
127.11233	0.4
129.07016	0.9
130.07777	0.5
131.08556	14.6
133.10121	14.1
134.10419	0.4
135.08093	0.8
135.11684	36.3
136.12039	0.8
137.09615	1.8
137.13203	1.9
139.11212	0.9
139.97972	0.3
143.08540	1.0
144.09239	0.4
145.10121	14.1
146.10493	0.6
147.11682	10.2
149.09554	1.0
149.13248	24.7
150.13559	0.7
151.11166	1.7
151.14854	0.8
153.12811	0.4
157.10081	0.6
159.07990	0.6
159.10361	0.6
159.11687	10.9
161.13249	10.9
163.11151	0.7
163.14812	16.9
165.12762	1.3
168.13602	0.4
169.10001	0.4
171.11649	0.8
173.13245	10.9
175.14803	4.7
177.12718	0.7
177.16388	3.8
179.14279	1.4
185.13266	0.5
187.14813	5.9
189.16403	1.0
191.14313	0.7
193.15880	0.5
197.13277	0.4
201.16411	2.6
203.17940	0.7
205.15858	1.0
215.14441	2.4
215.17944	7.6
216.18246	0.4
217.19456	0.5
218.07280	0.5
219.17390	1.2
233.09578	1.7
233.22591	1.6
243.21065	25.6
244.21350	1.1
254.20549	0.3
261.09109	3.2
261.22113	100.0
262.22446	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	261.2213
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
52.97355	0.8
53.03929	2.2
55.01868	1.5
55.05509	10.7
55.13541	0.7
57.03427	1.6
57.07058	2.7
62.02487	0.7
64.45729	0.9
65.03921	1.1
67.05502	39.6
68.73717	0.8
69.07059	12.8
69.32643	1.8
69.33047	4.2
71.04974	3.4
71.08621	1.0
79.05489	39.6
81.07053	42.0
83.04990	2.4
83.08614	6.7
85.06523	3.5
91.05477	31.0
91.06056	1.5
93.07041	47.3
95.04947	3.1
95.08604	32.2
95.09218	1.4
97.06526	5.5
97.10152	3.0
99.08046	1.9
105.07024	21.1
107.04945	2.5
107.08589	28.0
109.06500	2.9
109.10149	14.5
111.08076	2.5
117.06992	8.6
119.08572	22.1
121.06478	1.0
121.10139	46.7
123.08054	2.3
123.11691	3.2
125.09620	1.5
129.06993	1.5
131.08559	17.6
133.10124	19.6
135.08057	2.7
135.11685	31.8
137.09608	2.2
137.13216	1.0
145.10123	15.7
147.11670	21.3
149.09602	2.8
149.13242	10.7
151.11108	1.5
159.11717	11.1
161.13263	19.5
163.11249	1.4
163.14821	4.8
165.12743	2.5
171.11650	1.0
173.13246	9.0
175.07558	1.1
175.14827	7.1
177.12476	0.8
177.16452	1.4
179.14351	1.6
187.14786	5.6
189.16400	1.4
191.14294	1.0
201.16389	3.0
202.92151	0.7
205.15805	0.8
215.10565	0.7
215.17929	3.8
217.19606	1.8
233.22571	0.9
241.96378	0.7
243.21063	28.2
244.21622	0.8
261.09045	1.1
261.11374	1.6
261.22125	100.0
262.22498	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	261.2213
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.12947	2.7
55.05508	6.9
58.06604	4.0
67.05502	8.5
69.05945	3.2
69.07075	6.4
79.05499	11.7
81.07053	10.9
83.08603	22.7
86.47630	2.5
91.05490	8.3
93.07045	29.3
95.08606	21.2
98.23340	7.0
105.07043	10.0
107.08590	74.9
107.09270	5.2
109.06545	3.7
109.10150	42.3
117.07030	2.9
119.08563	23.0
121.10149	61.4
123.11717	12.2
128.56032	2.7
130.06563	4.2
131.08565	10.0
133.10155	18.7
135.11684	64.4
135.12665	5.4
145.10144	9.3
147.11707	10.8
149.13274	5.4
158.06096	4.6
159.11705	11.8
161.13281	7.9
173.13240	21.1
179.14299	3.5
180.45605	2.6
187.14757	15.8
189.16403	9.5
201.16374	6.7
243.21075	100.0
244.21414	3.1
259.71927	4.3
261.12616	13.9
261.14896	4.1
261.22086	76.4
261.24631	5.8
262.18063	6.2
262.22366	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	263.0162
Annotation	Unknow
Peak:m/z	Relative Intensity
63.60037	9.1
69.89603	38.1
91.36440	8.7
92.26744	8.2
99.20646	9.3
101.00881	34.7
101.44915	8.1
113.00914	9.9
118.08657	98.2
119.01958	22.2
143.01897	62.6
146.09277	12.6
161.02951	100.0
163.20946	8.6
173.02992	33.2
185.03101	9.3
191.04005	11.9
203.03908	17.9
212.52803	8.4
212.55559	11.2
263.01660	40.9
263.06085	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0163
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20601	13.8
51.43366	13.9
54.91713	13.2
70.39359	19.9
70.39700	33.4
100.73328	13.0
101.00882	36.3
103.58084	15.1
119.01927	40.2
130.62340	13.2
131.01848	26.4
143.01932	43.1
161.02919	100.0
173.02939	23.5
247.65451	15.8
263.01617	31.7
263.06137	22.6
279.75876	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	263.0907
Annotation	violaceol i
Peak:m/z	Relative Intensity
53.03934	0.3
55.01868	0.2
55.05505	0.2
55.69434	0.1
57.03418	0.1
61.94203	0.1
65.03952	0.1
66.93407	0.1
67.05494	0.4
68.99808	0.2
69.03419	0.3
69.07043	0.1
69.74226	0.4
69.74520	0.1
71.04974	0.3
72.41557	0.1
74.49509	0.1
79.05473	0.2
80.02634	0.2
81.03408	1.1
81.07047	0.2
83.01334	0.1
83.04981	0.2
83.08601	0.1
85.02902	0.5
85.06514	0.1
85.29890	0.1
91.05491	0.5
93.03358	0.1
93.07030	0.2
95.04961	0.3
95.08581	0.2
97.02870	0.3
105.07022	0.4
107.01301	0.3
107.04948	0.1
107.08544	0.2
109.02895	0.6
109.06503	0.2
113.05937	0.1
115.05478	0.1
116.06237	0.1
117.07026	0.2
119.08552	0.4
121.02859	0.2
121.06506	0.2
123.04427	0.1
123.08078	0.1
125.02340	0.3
127.03893	0.3
128.06158	0.1
129.06969	0.2
131.04953	0.1
131.08490	0.2
133.06509	0.5
135.04393	0.3
135.08037	0.2
137.02335	0.1
137.05984	0.2
143.03391	0.2
143.08556	0.2
144.05672	0.1
145.06496	0.2
147.04402	0.4
147.08044	0.5
149.02292	0.1
149.05942	0.2
149.09546	0.1
151.03900	0.3
152.08339	0.1
153.01813	0.1
157.06427	0.1
159.08095	0.1
160.21307	0.1
160.40564	0.1
161.02353	0.1
161.05890	0.4
161.09561	0.1
162.06731	0.1
163.03897	0.3
163.07616	0.2
164.08315	0.1
165.01857	0.7
165.05466	0.6
165.09116	0.3
171.02866	0.3
172.05127	0.1
173.05965	0.1
175.07532	0.4
176.04654	0.2
176.08281	0.2
177.01837	0.3
177.05469	1.4
177.09102	1.8
178.09872	0.6
179.03459	0.2
183.02869	0.2
189.05421	0.1
189.09125	0.3
190.06250	0.1
191.03348	0.2
191.06998	0.8
192.04150	0.2
192.07753	0.4
193.04942	0.2
193.08600	2.2
195.02869	0.2
199.11163	0.1
201.05450	0.3
203.07037	0.2
205.05037	0.7
205.08595	3.5
206.09366	6.2
207.09789	0.2
210.08902	0.2
217.04948	0.2
217.08572	0.9
218.05714	0.3
218.09317	0.5
219.06500	4.0
220.07314	2.0
221.08043	0.3
223.91403	0.1
229.04955	0.2
230.05760	0.2
231.06395	0.4
233.08080	1.5
234.08856	25.4
235.09502	1.7
239.09184	0.4
245.08102	0.7
245.15282	0.1
247.05992	3.0
248.06792	6.0
249.07236	0.2
263.09131	100.0
264.09497	3.1
266.07904	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0913
Annotation	Hibiscanal
Peak:m/z	Relative Intensity
52.59428	0.1
53.03949	0.1
55.05493	0.1
56.44522	0.1
57.03465	0.1
65.03928	0.3
67.01868	0.4
67.05508	0.5
68.99797	0.2
69.03410	0.1
69.07021	0.1
69.39685	0.3
71.04968	0.1
77.03913	0.1
79.05467	0.1
79.95898	0.1
81.03408	0.3
81.07045	0.1
83.01295	0.1
85.02883	0.1
85.06522	0.1
90.29352	0.1
91.05448	0.2
93.03390	0.2
93.07027	0.1
95.04962	0.5
99.18863	0.1
105.03386	0.2
105.07011	0.2
107.04944	0.1
107.08611	0.1
109.02881	0.1
109.06492	0.1
113.05995	0.3
119.04911	0.1
119.08553	0.2
121.02852	0.6
121.06467	0.1
123.04402	0.2
128.06215	0.3
129.06976	0.1
131.04968	0.1
131.08519	0.1
133.02849	0.5
133.06512	0.1
133.10146	0.1
135.04393	0.2
143.08557	0.2
145.06523	0.1
146.07245	0.2
147.04416	0.3
147.08020	0.3
149.02336	1.4
149.05975	0.1
150.02992	0.1
151.03874	0.1
152.08324	0.2
153.01872	0.1
153.07010	0.1
160.94429	0.1
161.05931	0.1
161.09622	0.2
163.03873	0.2
163.07529	0.2
164.04585	0.1
165.01817	0.3
165.05478	0.1
165.09119	0.2
167.03409	1.4
171.07996	0.2
173.05994	0.2
174.06764	1.7
175.03859	0.2
175.07599	0.4
176.04747	0.1
177.01833	0.3
177.05464	1.3
177.09006	0.2
178.09856	0.3
179.03391	0.2
179.07034	2.0
184.05183	0.1
188.08292	0.1
189.01849	0.1
189.09100	2.1
190.06180	0.1
190.09535	0.1
191.03445	0.1
191.07024	0.7
191.10728	0.1
192.07649	0.1
193.04974	0.1
195.02879	0.2
197.08098	0.4
199.07533	0.3
201.05441	0.9
201.09210	0.1
202.02544	0.1
202.06250	2.3
203.03459	0.1
203.06856	0.1
205.04861	0.1
205.08577	0.9
206.09343	0.8
207.10216	0.1
216.07832	0.3
217.08592	19.7
218.05756	0.5
218.08965	0.7
219.06506	3.3
219.10066	0.2
220.07297	3.8
221.07861	0.1
229.02686	0.1
229.04951	2.8
230.05727	3.6
231.06050	0.1
233.08081	8.3
234.08856	13.6
235.09467	1.0
245.08093	8.6
246.08406	0.2
247.06012	1.8
248.06764	3.7
263.09131	100.0
264.09479	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	263.2367
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
52.05154	0.8
53.03938	1.5
55.01871	1.1
55.05510	14.3
57.03423	1.4
57.07075	14.0
58.36182	0.8
65.03920	2.3
67.05500	93.7
68.05841	1.8
68.67579	0.9
69.07060	16.8
69.23643	4.8
69.24049	1.8
71.04996	2.1
71.08630	7.4
79.05035	1.5
79.05486	25.7
81.07053	100.0
82.07394	1.6
83.04958	2.5
83.08616	17.4
83.96611	0.8
85.06534	4.7
85.10176	3.9
91.05471	20.7
92.05762	0.9
93.07038	26.3
95.04960	3.0
95.08601	96.0
96.08950	1.6
97.06537	7.6
97.10165	7.3
98.22511	0.8
99.08097	6.4
104.99287	2.0
105.07027	12.5
107.08586	14.9
109.06519	1.9
109.10153	48.3
110.10493	1.5
111.08083	5.2
111.11725	2.0
113.09657	5.1
119.08569	14.5
121.10130	18.0
123.08045	2.7
123.11697	22.0
125.09627	1.9
127.11153	2.3
129.06956	1.1
131.08554	2.9
133.09177	1.2
133.10124	15.4
135.11671	9.9
137.09613	3.3
137.13243	9.8
139.11179	1.4
141.12695	1.2
144.05661	1.6
147.11682	11.1
149.13251	10.0
151.11145	1.6
151.14804	7.4
159.08081	3.2
161.13248	12.1
163.14790	9.1
165.12794	1.7
165.16403	9.4
167.14352	1.3
175.14827	7.7
177.16412	1.8
179.17941	2.5
181.15846	1.5
189.16397	3.6
196.86807	0.9
199.14645	0.8
203.17885	1.5
217.19385	1.4
219.09978	0.9
219.21083	1.1
245.22629	28.7
245.25089	1.8
246.22928	2.3
263.23694	80.2
264.23969	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	263.2368
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03940	1.8
55.05510	18.0
57.03424	2.5
57.07074	12.5
60.08157	2.1
65.03922	2.2
67.05503	84.3
68.05839	1.3
69.03403	1.0
69.07064	15.1
71.04984	2.0
71.08628	5.6
75.96558	0.6
79.05492	20.6
81.07054	100.0
82.07383	1.4
83.04988	2.8
83.08620	13.1
85.06528	3.6
85.10177	2.8
91.04926	1.1
91.05477	20.6
93.07043	24.1
95.04970	1.1
95.08605	89.6
96.08945	2.1
97.06541	7.5
97.10178	7.6
99.08092	5.3
104.99254	1.8
105.07027	12.8
107.04979	1.0
107.08583	15.5
109.06486	1.7
109.10155	43.8
111.08080	3.9
111.11716	2.0
113.09641	3.8
118.40408	0.9
119.08581	12.4
121.10141	18.0
123.08083	2.5
123.11707	18.0
124.72242	0.8
125.09624	1.1
127.11176	1.4
130.06520	1.5
131.08467	0.8
133.10121	16.1
135.11696	11.1
137.09593	3.5
137.13254	7.9
139.11145	0.9
141.12753	1.6
147.11667	9.8
149.13245	8.2
151.11183	2.2
151.14806	7.3
155.14313	1.8
158.05972	0.8
161.13243	10.8
163.14824	7.6
165.12773	1.1
165.16397	9.5
167.14319	1.2
174.44919	0.7
175.14786	6.4
177.16432	2.1
179.17921	3.2
181.15919	0.9
189.16370	3.1
203.17934	1.6
208.13461	1.3
217.19482	2.3
245.22635	28.3
246.23024	1.4
247.36234	0.7
263.23694	72.5
264.24014	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	263.2369
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03929	2.0
55.01856	1.4
55.05508	15.6
57.03425	1.4
57.07076	10.9
65.03940	2.5
67.05502	83.4
67.76261	0.8
69.07055	16.5
69.07467	9.3
71.04985	1.9
71.08624	6.2
71.76440	0.9
78.32368	0.9
79.05485	23.2
81.07053	100.0
82.07401	2.0
83.04953	1.7
83.08616	14.5
85.06537	5.0
85.10160	3.2
91.04937	1.5
91.05474	18.7
93.06446	1.3
93.07037	25.3
95.04948	3.0
95.08603	81.6
96.08915	1.7
97.06544	7.3
97.10166	7.2
99.08089	5.5
104.99274	2.3
105.07023	11.8
107.08598	14.6
109.06499	1.6
109.10153	48.1
111.08074	5.3
111.11742	2.4
113.05906	0.9
113.09636	3.5
116.26172	0.9
119.08570	14.8
121.09287	1.2
121.10144	18.4
123.08057	3.5
123.11711	17.6
127.11150	1.8
131.08562	2.0
133.10118	14.9
135.11693	9.6
137.09586	2.9
137.13246	8.0
141.12721	2.4
147.11696	11.2
149.13240	9.7
151.11150	2.0
151.14812	7.3
158.06004	1.6
161.13232	9.3
162.98047	0.9
163.14795	8.2
165.16370	9.9
167.14345	1.2
173.13330	1.2
175.07382	0.9
175.14789	8.1
177.16306	2.4
179.17935	3.7
181.15881	1.5
189.16351	3.9
203.17917	1.9
217.19438	1.9
245.22633	32.0
246.22905	2.0
259.10666	1.1
263.23694	68.5
264.23962	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2367
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
55.05298	1.7
55.05507	20.7
57.03434	2.4
57.07076	15.6
60.08142	2.8
62.82490	1.5
65.03914	4.9
67.05499	89.4
68.48640	1.9
69.06759	2.0
69.07069	17.5
71.04989	2.3
71.08611	7.5
71.33976	2.7
77.98392	1.6
79.05486	27.1
81.07050	97.4
82.07388	2.1
83.04963	3.2
83.08611	15.2
85.06521	5.6
85.10157	3.5
91.05466	23.2
93.07035	26.6
94.80811	2.1
95.04963	4.0
95.08598	100.0
97.06524	13.8
97.10126	6.2
99.08066	6.2
104.99273	4.2
105.07026	15.1
107.08580	15.3
109.06493	3.2
109.10153	44.7
111.08068	6.4
113.09608	2.4
119.08583	15.4
121.10144	19.4
123.08047	7.4
123.11710	21.5
130.06523	2.1
131.08548	2.7
133.10141	17.2
135.08061	2.0
135.11665	9.0
137.09592	5.4
137.13216	8.4
143.08641	1.8
147.11661	11.9
149.13283	8.4
151.11162	2.6
151.14824	8.2
158.05984	2.2
161.13240	11.9
163.14784	7.9
165.12883	1.7
165.16304	9.2
175.14825	8.0
178.56116	1.8
179.17865	2.3
189.16341	3.9
217.18777	2.0
231.06592	2.7
245.18936	1.9
245.22667	30.7
263.06708	2.2
263.16281	2.3
263.23660	85.3
264.24048	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	264.0197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.14711	5.5
61.02918	7.4
69.03406	9.4
69.91197	20.9
73.02911	8.9
85.02906	13.9
94.93006	6.3
97.02893	10.6
98.22533	6.3
101.00861	17.9
102.00978	20.4
107.32867	5.5
118.08646	12.5
119.01923	28.2
120.01987	26.2
127.03940	6.1
131.01854	9.5
132.02000	15.6
137.02875	5.6
143.01910	9.0
144.02005	43.5
156.02022	11.0
157.03534	7.3
161.02951	24.9
162.03087	100.0
163.02733	13.6
173.02950	12.0
174.03133	32.1
175.02692	7.6
185.03000	9.1
192.04152	17.5
202.69733	5.6
204.04276	12.3
234.77133	5.2
245.05042	11.0
264.01959	22.4
264.06262	24.3
265.01529	5.5
268.33115	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	264.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23809	2.3
55.05293	2.4
55.05511	25.5
57.07066	3.0
67.05495	11.5
68.05819	2.0
69.07061	3.0
75.65331	2.0
79.05480	2.8
81.07051	9.5
82.07376	4.1
83.04980	25.8
91.05474	7.2
95.08600	8.1
96.08911	3.9
99.61961	2.3
109.10134	5.0
110.10456	3.6
117.07032	4.8
119.08582	48.3
120.08920	3.2
121.62602	2.0
147.08044	100.0
209.11731	2.5
246.22968	2.7
264.24078	7.4
265.21469	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	265.1068
Annotation	Scytalol D
Peak:m/z	Relative Intensity
52.34192	1.2
53.03932	2.6
55.01871	9.7
57.03429	1.7
61.02923	3.9
62.31537	1.1
65.03919	1.2
67.05495	4.3
68.99777	2.1
69.03436	7.5
70.49644	3.3
71.01351	3.5
71.66253	1.2
72.08157	13.4
73.02890	1.4
76.70939	1.0
78.00575	1.0
78.06680	1.2
79.05482	4.2
81.03412	5.7
81.07056	4.5
82.29876	1.1
85.02914	3.2
89.62023	1.1
91.05476	18.1
93.07040	4.2
95.04963	5.3
95.08611	8.7
97.02896	45.5
98.03210	1.5
103.03939	4.0
103.05479	5.1
105.07033	19.4
107.04942	6.3
107.08607	1.3
109.02868	2.4
109.06520	3.7
113.05978	1.4
115.05452	14.2
116.06229	3.2
117.07035	11.7
119.04921	1.5
119.08592	8.4
120.08093	9.6
121.02875	6.6
121.06510	17.7
122.07143	4.8
123.08081	2.4
128.06216	28.6
128.24690	1.1
129.07019	24.6
131.04939	6.5
131.08563	19.5
132.05693	2.3
133.06485	32.5
133.10115	1.6
135.08043	3.6
137.05971	2.6
137.09615	0.9
141.06989	18.5
143.08566	11.2
144.05702	15.8
145.06483	21.1
145.10139	3.1
147.04408	2.8
147.08054	14.1
149.05968	1.4
151.07541	96.6
152.06291	2.2
152.07877	2.9
153.06998	10.8
154.07733	2.4
155.06000	4.0
155.08559	15.0
156.05704	1.3
157.06490	36.2
158.07260	12.5
159.08055	52.9
159.11713	1.5
160.05238	1.3
161.05994	2.3
161.09586	7.0
163.07509	3.5
163.12267	1.3
165.05476	5.5
165.06860	2.3
167.41806	1.2
168.02626	1.3
168.05719	3.2
169.06471	11.8
169.07628	2.0
171.04402	4.6
171.08049	37.5
173.05975	3.1
173.09642	3.8
174.06746	1.8
175.07539	81.1
176.07880	2.7
179.07072	1.2
181.06479	3.0
183.08037	13.1
184.05217	2.1
185.05988	15.7
186.06725	8.5
187.07533	45.0
187.11127	2.0
189.09058	6.5
191.06992	2.7
193.08537	2.0
199.07550	32.5
200.07997	1.2
201.09126	14.2
201.12697	1.8
203.07019	13.1
205.08580	9.4
211.07571	6.3
211.11307	1.3
217.08597	100.0
218.09015	3.0
229.08598	49.6
230.08963	1.6
235.09647	72.6
236.09950	2.1
247.09668	50.4
247.14359	4.0
258.93158	1.1
265.07568	2.6
265.10669	21.3
265.15463	9.4
276.13611	1.3
285.22568	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.6
57.03407	0.9
65.03912	1.1
66.04726	1.7
67.05468	1.2
68.56540	0.6
68.82030	0.8
69.03416	2.8
69.07050	0.8
69.08426	0.6
70.48971	1.2
70.49323	1.4
71.04996	1.3
74.69785	0.7
75.54746	0.6
79.05469	1.9
81.03413	12.2
81.07049	1.9
83.04987	0.7
91.05467	2.6
93.07044	1.4
95.04948	2.3
95.08574	1.2
97.02885	1.4
97.06483	0.7
99.04435	1.4
102.04702	4.7
103.05461	21.3
105.07026	3.1
107.04961	1.3
107.08601	1.5
109.02867	3.4
109.06520	1.0
109.10172	1.0
109.56270	0.7
115.05431	3.2
117.03381	1.0
117.07007	3.4
118.04160	18.7
119.04919	1.7
119.08546	1.9
120.05719	1.2
121.02859	19.5
121.03779	1.1
121.06465	1.1
122.07127	2.4
123.04386	0.9
129.06989	1.2
130.04147	15.7
131.04935	21.9
131.08559	1.4
133.02840	2.0
133.06474	0.9
135.07990	0.9
135.66580	0.6
137.05925	0.7
139.03870	1.5
139.13795	0.7
143.17233	0.7
144.04733	0.7
145.06456	2.4
146.03586	3.8
147.04414	4.4
148.05179	6.5
151.07625	0.7
158.03661	1.6
159.08047	2.0
161.02278	0.7
161.05968	2.0
163.07466	1.7
164.04703	0.9
167.06845	0.7
173.05974	5.1
175.07516	1.0
176.04689	25.2
177.05484	2.0
177.09029	0.8
187.07556	1.6
191.07019	100.0
192.07460	2.8
201.12701	0.7
205.08563	0.9
207.06578	0.8
219.06612	0.9
219.10201	0.7
222.06750	1.2
247.09628	1.5
265.06781	6.3
265.10779	4.6
265.14285	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1432
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
52.37427	2.8
53.03941	5.0
55.01875	5.6
55.05507	13.8
65.03934	10.7
67.05500	28.5
69.03429	40.3
69.07074	3.8
70.86017	3.8
70.86373	5.7
71.04964	6.1
72.08169	3.4
75.26385	3.4
79.05491	21.9
81.07058	20.9
83.04974	8.4
91.05473	65.9
93.03408	4.7
93.07040	41.2
95.04962	53.1
95.08593	25.1
97.02896	3.7
97.06502	5.3
98.59071	3.0
99.04456	6.4
103.05448	5.3
105.07023	74.2
107.04970	6.0
107.08578	21.1
109.02844	4.3
109.06508	29.0
109.10172	4.8
111.04438	29.4
111.08077	11.7
113.06006	14.1
115.05474	7.5
116.06223	7.5
117.07012	20.5
119.08578	100.0
120.08125	3.6
121.02886	13.1
121.06503	48.3
121.07381	4.4
121.10154	14.4
122.07148	7.2
123.04311	3.8
123.08061	31.5
128.06252	6.1
129.06985	15.6
130.07767	7.3
131.08571	45.4
133.06502	10.5
133.10103	28.0
135.04414	3.5
135.08051	91.8
137.05966	3.2
137.09650	15.3
139.03906	10.6
139.07532	4.3
141.06999	9.2
142.07773	10.7
143.08551	18.5
144.05722	4.8
144.09314	10.8
145.06480	15.7
145.10143	32.1
146.07254	4.8
147.08054	43.9
147.11696	13.0
149.05930	4.4
149.09625	13.2
151.07556	5.6
153.07002	8.2
153.09114	7.6
154.07826	3.9
155.08577	13.2
155.10634	3.5
156.09386	8.5
157.10120	18.4
158.07269	25.7
159.08069	35.9
159.11676	46.1
160.08807	5.7
161.09602	37.5
161.13231	6.1
163.07530	4.6
165.09100	31.4
168.09332	5.8
169.10173	6.7
171.08070	6.0
171.11732	9.8
172.08859	24.7
173.09636	22.5
173.13266	21.1
175.07535	82.5
175.11160	43.2
181.04924	6.1
183.11717	13.6
185.09625	12.4
186.10452	6.0
187.11145	45.7
189.09137	10.1
189.12752	19.6
193.08569	22.1
196.08772	7.5
199.11189	22.5
201.12729	40.5
203.10658	49.2
205.12256	7.6
211.11147	20.8
217.12198	26.2
219.13823	9.6
229.12215	27.8
235.13234	5.1
247.13243	40.1
250.63795	3.2
265.14490	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	265.1432
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
55.05508	12.5
65.03933	10.2
67.05500	27.5
69.03429	40.7
69.07066	2.8
71.04987	8.1
79.05508	18.0
81.07064	20.1
81.37621	3.1
83.04981	11.7
88.47753	3.0
91.05479	54.5
93.03408	8.7
93.07042	44.0
95.04961	46.3
95.08624	20.6
97.02874	3.0
97.06518	8.6
99.04484	4.8
103.05472	4.9
105.07025	70.2
107.08583	25.5
109.06514	32.0
109.10183	8.0
111.04417	36.2
111.08081	8.6
113.02394	2.9
113.05991	14.8
115.05434	4.5
116.06282	4.7
117.07005	18.1
117.79261	3.4
119.07720	6.3
119.08570	100.0
119.09395	6.1
121.02874	13.5
121.06498	46.8
121.10118	15.3
122.07243	7.4
123.08075	26.6
125.06052	4.4
128.06245	7.0
129.07011	20.0
130.07787	8.4
131.08545	46.7
133.06520	10.8
133.10141	21.6
135.08051	83.5
137.05925	2.9
137.09636	11.7
139.03925	8.7
139.07526	5.5
141.07002	8.2
142.07806	14.7
143.08536	20.0
144.05609	3.5
144.09338	10.9
145.06451	16.7
145.10118	31.7
146.07285	5.1
147.08043	46.9
147.11658	17.7
149.05983	6.2
149.09607	13.6
153.07022	5.3
153.09126	4.5
155.08571	10.0
156.09361	6.4
157.06509	5.3
157.10124	19.0
158.07248	26.7
158.10966	6.6
159.08034	43.0
159.11690	45.0
160.08842	6.4
161.09615	40.7
161.13338	5.2
163.07712	3.8
165.09090	36.5
168.09294	7.1
169.10117	5.7
171.08018	7.1
171.11697	9.5
172.08826	26.6
173.09686	18.3
173.13243	20.8
175.07542	70.6
175.11171	44.7
181.06494	4.5
183.11728	11.1
185.09593	7.9
186.10472	4.3
187.11177	46.7
189.09070	12.2
189.12810	18.9
193.08553	21.9
193.10042	4.0
196.08810	7.7
199.11206	13.4
201.12708	33.7
203.10648	46.7
205.12299	7.1
211.11209	19.9
217.12215	30.0
219.13872	8.5
229.12234	28.6
235.13278	6.9
247.13251	47.1
265.14401	52.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1432
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
53.03949	6.8
55.01858	3.7
55.05511	17.3
65.03934	12.7
67.05503	35.2
69.03428	40.2
69.07076	6.9
69.31293	16.4
69.31700	4.7
71.04993	10.7
79.05492	25.1
80.56516	2.6
81.07047	19.4
83.04985	10.2
91.05476	58.8
93.03403	8.9
93.07037	44.1
95.04965	50.5
95.08601	22.5
97.02874	6.0
97.06532	10.9
99.04464	5.2
103.05405	4.1
105.07030	82.2
107.04995	6.3
107.08595	23.2
109.06506	37.0
109.10166	9.6
111.04436	32.5
111.08083	9.4
113.06001	16.6
115.05460	5.6
116.06268	6.1
117.07049	22.5
119.08575	100.0
121.02854	18.5
121.06493	48.7
121.10152	10.4
123.08060	30.9
128.06216	11.2
129.06993	20.9
130.07774	8.9
131.08566	44.0
133.06479	9.3
133.10143	18.1
135.07028	5.2
135.08043	91.8
137.09605	22.1
139.03931	9.3
139.07545	10.2
141.07005	10.9
142.07779	11.9
143.08551	23.2
144.05739	5.0
144.09363	9.5
145.06487	14.8
145.10115	36.6
146.07315	4.7
147.08032	41.3
147.11690	14.6
149.06030	4.0
149.09636	11.0
153.06966	5.1
155.08571	7.3
156.09340	5.4
157.06487	4.7
157.10063	22.1
158.07285	21.1
158.10887	4.5
159.08043	46.3
159.11678	41.0
160.08748	3.4
161.05928	5.3
161.09627	44.1
161.13258	5.2
163.07532	3.3
163.11081	2.8
165.09100	31.9
168.09392	8.9
169.09979	3.6
171.08017	11.2
171.11702	12.7
172.08801	28.1
173.09677	18.9
173.13240	24.8
174.06741	3.0
175.07539	69.3
175.11157	39.6
181.06459	3.6
183.11621	15.6
185.09636	9.8
185.13361	3.3
186.10440	10.1
187.07613	5.6
187.11197	48.0
189.09155	10.3
189.12701	17.8
193.08600	19.0
193.10109	4.4
196.08876	8.5
199.11140	15.6
201.12749	35.9
203.10654	47.8
203.12415	4.5
205.12234	8.5
211.11105	20.1
217.12210	22.5
219.13852	8.3
229.12277	31.4
235.13214	7.9
247.13286	38.3
265.14328	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	265.1433
Annotation	gamma-CEHC
Peak:m/z	Relative Intensity
53.03942	0.8
55.05498	1.8
56.77368	0.4
57.03413	0.6
57.07057	1.3
67.05505	3.4
69.03421	1.0
69.07055	2.0
69.17509	4.1
70.06851	0.4
71.04986	1.3
79.05479	1.4
81.07037	1.5
83.01336	2.4
83.08578	0.7
85.06535	1.7
91.05466	1.7
93.07043	1.2
95.04942	2.7
95.08598	1.7
97.05976	0.5
97.06535	4.6
98.22614	1.1
105.07016	1.2
107.08596	3.6
109.06508	2.0
113.06003	10.9
115.05489	0.6
117.06978	0.8
119.08578	1.3
121.06441	0.8
121.10127	1.7
122.07130	0.7
123.04378	1.2
123.08046	1.4
125.09582	0.8
127.07568	1.1
131.08554	0.9
135.08060	1.6
135.11673	0.5
137.05968	0.9
139.03922	0.8
139.11095	0.5
141.05476	0.8
145.06482	0.7
147.08083	0.8
147.11696	0.5
149.05951	1.8
149.09605	1.3
151.07562	1.7
153.05426	1.2
153.09116	0.8
159.08061	1.1
159.11650	1.1
162.06731	0.8
163.07549	3.1
163.11198	0.9
165.09091	0.8
165.44243	0.5
167.07005	0.8
168.22020	0.5
169.08594	0.9
173.09593	0.7
175.07536	1.6
176.08334	0.8
177.05531	4.3
177.09116	6.6
177.12730	0.6
179.07089	2.6
181.10197	0.4
187.07526	1.1
187.11201	0.7
189.09108	1.7
191.07031	20.1
191.10666	1.5
192.07802	52.8
193.08481	1.8
194.09352	3.7
195.10153	1.4
201.12750	2.0
204.11499	0.7
205.08603	22.8
205.12067	2.4
206.08865	0.6
209.08081	0.7
209.13319	0.5
214.09880	0.9
217.08614	1.6
219.10201	1.3
219.13809	10.8
223.09714	2.2
229.12271	4.2
232.10974	5.4
237.14836	1.8
247.13290	71.0
248.13547	2.7
265.14340	100.0
266.14679	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1434
Annotation	2-trans-abscisic acid
Peak:m/z	Relative Intensity
53.03937	8.8
55.05505	11.6
60.55157	4.6
61.71091	4.4
67.05483	15.1
69.03436	26.5
69.07049	9.3
71.34099	8.4
79.05481	20.3
81.03407	34.5
81.07050	11.3
83.04987	65.6
83.08607	6.1
87.04473	5.1
91.05470	26.4
93.07058	31.4
95.04964	20.7
95.08593	9.5
103.81512	4.8
105.07020	24.8
107.04920	5.1
107.08582	37.6
109.02905	23.7
109.06505	19.4
109.10184	8.9
111.04440	40.5
111.08070	10.3
113.05992	13.6
117.07008	18.4
119.08580	26.1
121.02885	50.0
121.03698	6.6
121.06506	44.8
121.10135	8.0
122.07121	22.0
123.04432	6.6
123.08044	14.9
125.06012	4.8
125.09624	7.6
125.91164	5.0
131.08562	19.1
133.06538	6.0
133.10138	9.2
135.08041	90.9
135.11572	5.1
143.08542	9.5
144.09349	8.0
145.06487	16.8
145.10086	10.5
147.08043	12.1
149.05943	7.5
149.09590	23.5
151.07480	7.3
153.01826	6.3
153.09096	17.2
158.10927	11.0
159.07988	11.1
159.11681	27.4
161.09634	9.1
163.07530	61.4
163.11227	12.1
165.09077	13.6
171.07954	6.7
172.08826	14.8
173.09550	13.4
173.13203	27.2
177.12672	7.1
181.06531	6.1
183.11668	8.5
186.10405	7.5
187.11165	58.6
189.09111	7.8
191.07056	31.6
194.07214	5.0
201.12724	52.8
205.08556	6.8
205.12219	24.0
209.08043	8.3
211.11264	6.1
219.13756	25.0
225.82939	4.9
229.10149	7.2
229.12225	52.8
247.13297	100.0
265.04721	7.4
265.11710	5.1
265.14294	35.8
267.25653	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	265.1434
Annotation	gamma-CEHC
Peak:m/z	Relative Intensity
51.02773	1.2
55.05508	4.1
57.03435	2.5
57.07071	3.5
62.35124	1.1
67.05511	9.3
69.03410	2.1
69.07056	3.7
69.14681	12.0
71.05000	1.9
78.49236	1.2
79.05487	4.4
81.07050	8.4
83.01347	4.3
83.08611	1.7
85.06545	2.0
86.79426	1.4
91.05492	3.3
93.07024	5.0
95.04950	6.0
95.08588	6.4
97.06522	4.8
98.22666	2.2
105.07010	2.6
107.04967	1.9
107.08607	6.5
109.06508	2.6
109.10139	2.8
113.06003	11.7
119.08563	3.2
121.06511	2.7
121.10109	3.0
122.07115	2.0
123.04369	2.2
123.08080	1.9
123.11711	2.1
131.08542	5.4
132.63861	1.1
135.08057	2.6
135.11713	2.6
137.09576	2.0
141.05489	2.7
144.04787	1.1
145.10052	2.9
147.11728	1.3
149.05992	2.9
149.09598	4.0
151.07503	1.3
153.05461	2.0
153.09129	1.5
159.08049	1.5
159.11732	3.0
163.07559	4.3
167.07143	1.1
167.10651	1.2
175.07492	1.9
177.05424	5.8
177.09091	9.6
179.07059	4.4
187.11038	1.7
189.09102	1.9
191.07024	20.5
191.10733	1.8
191.14317	1.3
192.07799	62.3
193.08493	2.0
194.09346	5.7
195.10072	2.2
201.12770	2.4
205.08614	24.8
205.12300	3.2
209.13306	2.5
214.09865	1.5
217.08560	3.7
219.10234	2.1
219.13811	11.7
223.14946	1.8
229.12207	3.0
229.19350	1.3
232.10919	6.8
237.14812	1.4
247.13306	65.5
248.13640	2.3
250.17162	1.4
265.14346	100.0
266.14670	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	265.1796
Annotation	Dehydrojuvabione
Peak:m/z	Relative Intensity
51.55792	1.8
53.03941	12.6
55.01873	13.4
55.05504	8.1
57.07064	3.1
57.09827	1.9
60.23454	2.2
65.03926	2.7
67.05504	29.1
69.07065	100.0
69.89974	8.6
71.04989	4.1
76.57671	2.0
79.05492	24.5
81.03408	26.3
81.04525	2.1
81.07054	24.4
83.04971	8.6
83.08608	2.6
91.05474	23.3
93.07044	20.9
95.04974	20.4
95.08604	14.2
97.06512	19.3
105.07027	14.9
107.04950	20.6
107.08590	26.6
109.06493	5.8
109.10159	5.2
117.07022	14.4
119.08553	6.7
121.06512	3.5
121.10117	18.7
122.07147	6.7
123.11654	2.7
125.09637	3.0
129.06987	3.3
131.08571	30.3
133.06487	8.4
133.10094	9.2
135.08008	11.4
135.11578	3.6
141.06952	2.3
144.04819	2.4
145.10126	6.7
147.11609	2.5
149.09613	45.8
151.11195	10.6
159.08043	10.6
165.09038	2.9
177.09114	14.0
179.65678	2.3
187.11169	2.7
201.16304	3.4
202.28523	2.1
219.17442	5.4
229.15944	4.0
247.16876	7.0
265.17917	30.6
270.59534	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1798
Annotation	Dehydrojuvabione
Peak:m/z	Relative Intensity
51.02380	0.8
53.00308	0.9
53.03940	11.8
55.01876	5.1
55.05516	6.6
64.12874	0.7
65.03949	1.5
67.05163	1.4
67.05502	19.6
69.03403	1.0
69.07064	100.0
70.07407	1.4
71.04990	1.6
79.05488	25.6
81.03413	29.1
81.07050	14.7
83.04967	6.1
83.08620	2.2
85.06532	1.9
89.82780	0.7
91.05479	17.6
91.58067	0.7
93.07038	20.8
93.07613	1.5
95.04966	14.8
95.08607	4.6
97.06527	10.4
98.23323	2.1
99.08083	2.4
103.05484	1.1
105.07020	11.4
107.04940	12.3
107.05604	1.3
107.08591	20.0
109.06508	2.3
109.10152	2.7
111.08084	1.7
115.05424	1.2
116.06205	1.1
117.07009	8.9
119.08580	4.1
121.06452	1.3
121.10140	12.1
121.73983	0.8
122.07140	2.7
123.08141	0.9
123.11702	0.9
125.09615	1.4
129.07022	2.4
131.04868	0.9
131.08559	22.2
133.06490	5.7
133.10110	6.8
135.08052	15.7
135.11682	2.6
137.09544	1.1
139.07571	1.1
141.07033	1.0
143.08607	1.0
145.06421	1.2
145.10094	6.0
147.08044	1.0
147.11668	1.6
149.09608	34.6
151.11171	8.4
159.08014	7.0
159.11708	1.4
161.09593	1.9
163.11179	2.3
165.09003	0.8
169.10143	1.2
170.37428	0.8
173.09683	1.4
173.13249	1.5
173.16797	0.7
177.09091	8.4
177.96919	0.7
187.11162	1.7
187.14751	0.9
191.10643	1.7
195.10083	1.7
198.88295	0.8
201.12799	1.1
201.16370	1.9
205.08534	1.6
209.11746	1.3
211.14825	0.9
219.13776	1.3
219.17465	1.5
229.15833	2.7
247.13074	0.9
247.16968	8.8
255.78603	0.9
265.08524	2.0
265.17966	61.1
266.18295	1.6
270.60059	0.8
278.90689	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1797
Annotation	5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone
Peak:m/z	Relative Intensity
53.03937	4.9
55.01864	5.5
55.05510	19.0
57.03428	6.9
57.07064	1.8
65.03922	2.7
67.05165	2.4
67.05502	38.9
67.05859	2.0
69.03419	2.9
69.07063	15.0
71.04983	8.2
71.08605	1.2
71.32971	1.6
72.60278	1.1
79.05489	46.1
81.03415	7.9
81.06569	1.4
81.07054	37.6
83.04980	8.3
83.08614	22.3
85.06542	6.8
91.05476	46.9
92.05775	1.4
93.07043	54.7
93.75303	1.4
95.04971	8.1
95.08604	27.7
97.06524	18.7
97.10155	2.7
99.08069	4.8
101.06071	1.4
103.05456	2.5
105.04531	1.4
105.07032	32.2
105.07724	2.4
106.07354	1.6
107.04940	8.3
107.08591	43.5
109.02898	2.3
109.05833	2.1
109.06501	18.8
109.10154	12.9
111.04441	3.2
111.08086	22.8
113.06000	2.9
115.05448	3.3
117.07026	19.5
119.08579	31.9
119.77238	1.5
121.02863	8.1
121.06506	9.3
121.10132	27.2
122.07138	5.5
123.04392	1.3
123.08067	11.1
123.11687	3.5
125.05970	4.4
125.09606	4.7
127.07534	1.5
128.06213	2.6
129.06978	9.0
131.04938	1.3
131.08563	39.3
133.06477	4.4
133.10123	35.4
135.08049	28.5
135.11694	10.5
137.05968	3.2
137.09618	15.9
137.13286	2.3
139.07526	5.1
139.11221	3.0
140.93153	1.2
141.06956	5.4
143.08536	5.4
145.06464	2.5
145.10115	31.7
147.07983	8.4
147.11699	12.8
149.09613	43.7
149.13254	2.4
149.65408	1.3
151.07562	2.9
151.11131	6.5
153.09070	6.3
155.08629	5.8
157.10089	3.8
159.07982	2.3
159.11676	7.5
161.09673	7.9
161.10770	1.9
161.13231	3.3
163.11189	12.5
163.14841	2.1
165.07031	1.9
165.09109	5.9
165.12753	3.1
167.07001	1.7
167.10609	2.8
169.10117	11.7
170.10872	1.7
171.11719	3.1
173.05925	2.1
173.09621	4.0
173.13293	7.2
175.11159	5.2
177.09061	2.3
179.10696	2.6
181.04941	1.7
181.08539	3.5
181.10017	2.2
183.11687	4.6
185.13248	7.2
187.07623	2.0
187.11183	2.4
187.14803	17.5
191.08633	1.6
191.10553	1.5
191.14316	3.2
194.07335	2.0
201.12764	2.7
201.16371	18.6
203.14375	1.4
203.17975	1.5
205.06395	4.1
205.08415	1.8
205.12183	1.9
209.07954	2.6
209.13390	1.9
211.14810	43.7
219.07993	2.4
219.13789	2.9
219.17424	5.2
222.06633	2.2
229.15842	33.7
233.05893	1.7
237.09052	2.3
237.14909	5.0
247.09724	1.6
247.16924	58.5
248.17221	4.4
250.06125	2.6
265.08713	11.2
265.17941	100.0
266.09271	1.6
266.18295	3.8
277.43445	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2524
Annotation	Linolenyl alcohol
Peak:m/z	Relative Intensity
51.11571	1.4
53.03936	2.9
54.49395	1.4
54.76165	1.5
55.01870	1.4
55.05254	3.3
55.05510	60.9
57.03426	3.3
57.06818	1.9
57.07074	27.5
67.05502	63.9
69.07066	85.9
71.04983	4.4
71.08630	15.8
71.33533	1.6
71.33955	1.7
79.05487	37.4
81.07053	75.0
83.04972	2.8
83.08616	57.8
85.06521	4.7
85.10171	7.1
86.86181	1.3
91.05486	7.7
93.06441	2.2
93.07035	40.9
95.04982	2.0
95.08600	76.5
97.06530	23.5
97.10167	41.9
97.10614	0.8
99.08051	3.2
105.07011	2.0
107.08584	29.3
109.10154	36.7
111.08080	14.8
111.11719	13.1
113.09639	1.9
119.08553	2.7
121.10135	55.4
122.07145	3.0
123.11692	10.3
125.09604	5.7
125.13247	3.8
135.11681	45.5
137.09627	1.7
137.13196	8.7
139.11166	3.5
141.12834	1.7
149.13263	17.1
151.14812	6.4
153.12761	2.2
163.14792	6.3
165.16394	5.4
177.16443	4.1
190.63905	1.5
191.17982	2.9
205.19438	1.7
247.21680	2.3
247.24197	39.8
248.24696	2.4
256.56036	1.6
265.08450	1.9
265.25256	100.0
266.25671	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	266.0358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77662	0.4
57.90200	0.4
61.81394	0.4
70.06593	0.5
71.31573	0.5
76.07198	0.4
81.03414	0.4
82.99828	0.4
101.00878	4.3
104.10721	1.4
114.85693	0.4
118.08615	0.8
119.01913	12.0
120.02000	0.8
122.07157	1.9
123.05540	2.5
123.07446	1.3
131.67836	0.4
134.99896	0.4
137.02950	2.9
140.98830	0.4
144.04773	3.3
145.05022	0.6
150.05478	0.9
158.99831	2.0
175.03020	0.6
177.00934	23.3
178.01016	1.7
182.99883	0.6
193.04074	0.6
201.00925	1.3
217.04076	2.6
219.01999	24.4
220.02097	2.1
225.00827	2.5
242.95784	0.4
243.01935	11.1
244.02071	0.7
261.03040	100.0
262.03168	7.1
266.03580	0.5
266.16159	2.9
266.18610	0.5
267.10754	0.5
284.04562	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	266.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61585	0.4
57.03435	1.0
58.06604	0.6
60.08162	7.0
61.02929	1.7
63.52974	0.4
69.03440	2.5
69.77417	1.9
71.04997	0.5
73.02923	3.1
81.03418	1.4
82.87625	0.4
84.55107	0.4
85.02905	4.4
87.04468	6.2
91.03915	0.6
97.02869	1.2
99.04439	2.9
103.00736	0.4
104.10743	63.3
105.11106	0.6
109.02871	0.7
120.02060	0.4
127.03915	1.5
129.05479	0.7
147.28474	0.4
163.02710	0.9
177.73157	0.5
192.18661	0.4
233.58211	0.4
253.93266	0.4
266.15979	100.0
267.16428	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	266.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51040	0.2
50.84425	0.2
53.03935	0.5
55.05518	0.7
57.03432	0.5
57.07059	0.3
59.04997	0.7
61.02930	1.3
69.03430	0.5
70.06580	0.3
70.83784	0.5
70.84112	0.3
71.04996	1.6
72.77406	0.3
79.05479	0.9
81.03426	1.7
81.07058	3.7
82.03732	0.3
85.02875	0.4
91.05471	0.5
94.04048	1.5
95.04980	0.4
105.03385	2.3
105.07002	0.4
109.02884	4.4
110.03247	0.3
112.03954	0.2
119.03551	2.7
121.02866	0.7
122.03219	0.6
123.04415	0.4
136.06183	100.0
137.04578	1.0
137.06555	0.9
150.05540	0.3
150.07770	0.6
168.06590	0.4
176.68196	0.2
178.06215	0.5
234.13490	18.8
235.13872	0.4
266.16119	48.4
267.09982	0.3
267.16287	1.9
284.84546	0.3
285.95078	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1016
Annotation	7-Methoxy-2-methyl-3-phenyl-4H-chromen-4-one
Peak:m/z	Relative Intensity
51.02390	0.2
55.01873	0.9
55.05498	0.3
57.03425	0.3
67.05488	0.5
69.03441	0.3
69.07069	0.2
69.49710	0.1
71.04978	0.1
71.31683	0.2
79.05508	0.5
81.03416	2.1
81.07052	0.5
83.08590	0.2
91.05485	0.5
93.07040	0.4
95.04957	0.4
95.08627	0.3
97.06512	0.2
105.03395	0.3
105.07055	0.5
107.04939	0.4
107.08598	0.3
109.10171	0.1
111.08096	0.2
115.05463	0.4
116.06251	0.2
117.07063	0.1
119.08591	0.5
121.06515	0.3
121.10156	0.2
123.04419	0.1
123.08124	0.1
128.06227	0.3
129.07002	0.3
131.04942	0.2
131.08572	0.3
133.10109	0.2
134.92125	0.1
137.06052	0.1
137.09683	0.1
139.05396	0.2
141.06987	0.3
143.04912	0.1
143.08519	0.2
144.05702	0.4
145.06389	0.1
145.10153	0.2
147.11682	0.2
149.09695	0.1
151.05399	0.2
152.06186	0.5
153.06982	2.8
154.07686	0.2
155.04903	0.1
155.08513	0.4
157.06487	0.1
157.10081	0.2
159.11624	0.2
161.06052	0.2
165.06992	1.7
166.07713	0.6
167.04959	0.1
167.08572	2.1
168.05667	0.4
168.09340	2.5
169.06491	0.5
169.10057	0.3
171.04352	0.2
171.08025	0.4
171.11801	0.1
173.06006	0.1
175.11140	0.2
176.06282	0.2
177.06996	0.4
178.07762	10.0
179.08553	19.3
180.09085	0.9
181.06479	9.5
181.10046	0.4
182.07104	0.7
183.07968	0.3
183.11670	0.3
184.05145	0.1
189.06982	1.5
190.07744	0.6
191.08578	0.7
192.05704	1.0
192.09184	0.1
193.06392	0.1
193.10132	1.5
193.12199	0.4
194.07260	0.5
195.04411	0.1
195.08043	4.3
196.08835	23.6
197.05975	0.3
197.09247	1.1
202.07819	0.2
203.08621	0.1
205.06467	1.1
206.07271	2.7
207.08047	16.4
208.08777	2.6
209.05978	3.9
209.09558	0.4
210.06735	0.7
210.10286	0.2
211.07542	0.4
211.11197	1.3
217.06488	0.3
218.07251	0.2
219.08063	0.5
220.05212	0.4
221.06201	0.5
221.09601	2.2
222.06677	0.3
222.10165	0.3
223.05321	0.1
223.07539	4.0
224.08315	33.0
225.08971	2.1
227.06955	0.2
231.08011	0.1
234.06744	1.2
235.07532	21.3
236.08231	4.1
237.05486	2.7
237.09007	0.9
238.09894	0.5
239.10660	18.9
240.08832	0.2
240.10925	0.8
249.09097	2.6
249.14792	0.2
250.09833	0.2
251.07024	2.0
251.09578	0.1
252.07806	20.6
253.08228	0.8
267.10147	100.0
268.10495	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	267.1589
Annotation	[3R-(3alpha,3abeta,5aalpha,7beta,9bbeta)]-3a,4,5,5a,6,7,8,9b-Octahydro-3a,7-dihydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
50.01590	0.5
52.95053	0.4
53.03942	5.0
55.01868	2.8
55.05513	7.7
57.03439	20.6
57.07080	0.6
58.10324	0.5
64.94110	0.4
65.03921	0.5
67.05502	13.3
67.05863	0.6
69.03436	2.6
69.07064	3.2
70.32111	0.9
70.32500	1.0
71.04987	2.1
79.05489	11.5
81.03413	100.0
81.07050	13.0
82.03754	1.0
83.04976	6.0
83.08615	13.9
85.06541	1.0
85.42448	0.4
86.82047	0.5
91.05477	17.3
93.07045	9.0
93.68455	0.5
95.04964	21.0
95.08607	6.3
97.02899	2.3
97.06528	1.7
97.10173	1.5
99.04433	0.5
99.08085	0.7
103.05446	0.6
105.07029	14.3
107.04948	4.6
107.08597	3.9
109.06527	3.0
109.10168	2.2
111.04440	1.3
111.08077	7.5
115.05495	1.1
117.07011	1.3
119.04958	0.7
119.08574	12.9
121.06502	2.4
121.10134	4.9
123.08070	3.3
123.11684	0.7
125.09645	0.7
128.06223	0.6
129.07010	7.7
131.08560	7.8
133.06490	3.4
133.10120	4.4
135.08012	0.9
135.11641	0.6
136.06194	0.7
137.06013	0.7
137.09619	2.1
142.07797	2.2
143.08574	0.9
145.10159	1.2
147.08031	2.7
147.11679	7.6
149.09651	4.7
151.07535	0.8
157.10106	8.3
159.11731	0.6
163.11197	0.8
165.12753	2.5
165.13887	0.4
175.11176	8.3
176.11549	0.5
178.07683	0.6
179.08551	1.2
193.12242	18.2
196.08862	1.2
205.12292	0.7
207.08051	1.0
211.13200	2.4
211.15031	0.7
221.15280	0.4
224.08279	1.5
235.07468	1.1
239.10686	0.7
249.14774	1.4
249.18532	0.7
252.07802	1.4
267.06479	0.7
267.07050	0.8
267.10098	7.4
267.15869	39.2
267.20609	1.0
268.16281	1.3
268.22430	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1953
Annotation	Juvenile hormone II acid
Peak:m/z	Relative Intensity
52.61592	2.6
53.03938	5.0
55.01864	11.9
55.05255	4.9
55.05508	88.9
57.03416	5.5
57.07072	4.8
61.29378	2.7
62.75392	2.9
65.03947	3.8
65.09218	3.0
66.25011	2.5
67.05151	3.7
67.05502	71.2
69.03412	9.4
69.06709	3.4
69.07068	59.1
71.04990	18.0
71.32593	3.2
74.75478	2.8
79.05482	43.0
81.03410	5.8
81.07050	74.1
83.04964	9.7
83.08614	86.6
85.06527	9.6
90.32855	2.7
91.05472	26.0
93.07043	48.5
95.04952	10.0
95.08596	55.6
97.06538	24.8
97.10164	27.7
98.98457	4.1
105.07028	20.1
107.04975	6.3
107.08588	29.7
109.06503	12.4
109.10159	38.4
111.08070	32.3
111.11700	5.1
117.07050	3.2
119.04957	3.3
119.08551	20.4
121.10132	37.5
123.08057	25.7
123.11662	6.8
125.09625	35.9
129.06976	7.9
129.09094	7.9
131.08548	7.7
131.12451	2.8
133.06454	4.4
133.10100	21.1
135.08051	6.6
135.11690	16.9
136.06201	22.9
137.05989	5.6
137.09587	16.9
139.07588	5.6
139.11157	14.7
143.08548	7.5
145.10104	7.9
146.07259	4.0
147.11636	17.2
149.09578	4.9
149.13255	4.4
150.59367	2.7
151.07512	6.5
151.11153	5.1
153.05458	4.1
155.10628	3.9
157.06506	3.8
157.08632	5.6
157.10060	4.8
161.09622	9.7
161.13126	5.6
173.13203	3.8
174.06708	3.8
175.09677	22.3
175.11089	5.1
177.12831	3.0
179.14346	2.8
189.09074	17.7
189.11115	8.7
189.12680	3.7
189.16408	3.5
193.12384	4.1
195.68993	2.7
203.17964	7.1
213.16344	10.4
217.08507	4.3
221.11714	3.9
221.18930	4.3
225.07597	6.3
231.17358	14.3
249.11180	5.9
249.18489	57.9
267.06448	3.0
267.10132	2.8
267.17233	4.1
267.19513	100.0
267.23865	4.1
268.19827	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	267.1953
Annotation	Juvenile hormone II acid
Peak:m/z	Relative Intensity
53.03940	5.9
55.01866	5.4
55.05509	21.2
57.03432	20.4
57.07068	1.5
65.03916	1.1
67.05501	41.4
67.07543	0.8
69.03428	4.0
69.07063	16.2
70.59629	2.1
71.01360	1.3
71.04979	3.2
79.05486	38.7
81.03412	100.0
81.07050	38.0
82.07409	0.8
83.04977	9.2
83.08613	28.7
84.05399	0.8
85.02873	1.3
85.06535	3.7
91.05477	40.8
92.05777	0.9
93.07037	31.1
95.04966	23.7
95.08598	26.9
97.02862	2.4
97.06519	7.8
97.10159	7.0
99.04436	0.9
99.08077	3.9
103.05457	0.8
105.03377	1.5
105.07021	24.9
107.04937	5.4
107.08591	17.3
109.06498	6.9
109.10154	10.0
111.04440	2.4
111.08073	13.2
113.05968	1.5
115.05435	2.8
117.07026	4.2
119.08569	27.8
121.06500	2.6
121.10136	27.2
123.08061	9.2
123.11694	3.8
125.05981	26.4
125.09620	5.3
127.07523	1.7
128.06206	1.5
129.07004	10.7
131.08557	14.4
133.06476	3.8
133.10121	25.7
135.08067	5.5
135.11679	10.4
136.06206	2.3
137.09605	24.6
138.09894	1.0
139.07486	1.2
139.11171	1.8
142.07787	2.0
143.07045	0.9
143.08505	1.8
145.10120	3.8
147.08049	2.8
147.11684	17.4
149.09589	10.3
149.13313	1.5
151.07614	1.1
151.11166	12.2
153.09113	2.9
157.10143	11.4
159.11679	2.6
161.13272	1.5
163.11172	2.3
165.06932	1.1
165.11505	0.9
165.12682	4.8
167.10585	1.4
171.11630	3.2
175.11176	7.6
175.14885	0.9
178.07605	0.9
179.08589	1.3
181.06517	1.0
183.11652	1.2
185.13277	2.2
187.30688	0.8
193.12241	17.4
196.08852	2.3
197.13269	1.6
203.14337	3.2
203.18024	4.5
206.32782	0.9
207.08110	1.4
207.13702	0.9
211.13289	2.7
213.16351	10.4
221.15485	1.0
224.08273	4.4
231.17438	11.8
235.07623	2.1
236.08336	1.1
237.14848	1.0
239.10765	1.4
249.14867	1.9
249.18491	35.9
250.18953	1.7
252.07788	3.7
267.10129	15.2
267.15912	44.3
267.19409	6.1
267.21606	1.4
268.10599	1.2
268.16278	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1954
Annotation	OPC-6:0
Peak:m/z	Relative Intensity
53.03937	2.3
55.01883	1.4
55.05508	9.6
55.10096	1.4
57.03421	3.1
57.07082	1.9
57.52458	1.4
58.04652	1.2
62.30376	1.4
67.05492	12.2
69.07057	4.3
69.17028	3.9
69.17452	8.0
71.08630	100.0
79.05487	11.0
81.03415	12.9
81.07057	11.0
83.04964	4.8
83.08616	7.3
85.06538	3.0
85.66927	1.3
90.67387	1.5
91.05476	14.2
93.07001	6.8
95.04973	6.8
95.08604	5.6
97.06536	3.2
98.22595	3.1
98.72772	1.5
99.08089	87.9
105.03387	1.6
105.07027	5.0
107.04955	13.1
107.08572	4.9
109.06522	2.5
109.10133	4.0
114.92826	1.5
117.06993	2.0
119.08622	3.9
121.10149	6.3
123.08019	1.3
129.06960	2.1
131.08557	2.4
133.10123	10.3
135.08038	6.5
136.06169	4.3
137.09612	4.2
147.11711	2.1
149.09604	21.5
151.11182	24.6
161.09593	4.1
167.10674	3.1
171.11737	1.6
193.12355	2.0
201.95033	1.7
203.18105	2.2
217.56972	1.6
221.19055	1.6
231.17432	4.8
235.44044	1.6
243.01579	1.4
249.18474	11.0
250.07190	1.9
267.10217	3.9
267.15845	3.1
267.21307	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.0814
Annotation	ICM 0201
Peak:m/z	Relative Intensity
51.02361	0.2
53.03945	2.0
55.01855	0.2
55.52562	0.1
67.05493	0.2
68.24635	0.1
69.07064	0.2
70.70528	0.3
75.09734	0.1
77.03917	0.6
79.05497	2.3
81.03378	0.2
85.06543	0.2
86.49618	0.2
91.05447	0.2
92.02618	1.0
93.07025	0.2
95.04962	2.7
96.13770	0.2
99.87634	0.2
105.03394	0.5
105.04503	1.1
107.04946	0.5
119.08572	0.1
120.02064	0.3
121.02883	0.2
124.03884	0.2
135.04407	100.0
136.04739	2.0
136.06180	2.6
151.07596	0.3
223.99643	0.1
239.30067	0.2
253.08571	0.2
268.07968	0.5
268.12479	0.2
269.08176	0.6
285.98230	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	268.1038
Annotation	Adenosine
Peak:m/z	Relative Intensity
50.63613	0.1
51.39049	0.2
55.01863	0.4
55.58766	0.1
57.03429	0.9
61.41505	0.2
62.87997	0.2
69.03442	0.3
70.56159	0.5
70.56535	0.1
71.01352	0.2
73.02904	0.3
75.40210	0.2
85.02901	0.5
90.44250	0.2
94.04031	0.4
100.25545	0.1
115.03876	0.2
119.03554	1.0
133.04964	0.2
136.06172	100.0
137.04582	0.4
137.06590	1.3
263.02838	0.5
268.10379	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	268.104
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.01870	0.5
57.03430	1.0
57.24316	0.2
67.53926	0.1
69.03425	0.3
71.01357	0.3
71.30782	0.2
71.31113	0.2
73.02895	0.3
85.02917	0.6
86.05096	0.2
94.04051	0.4
97.02911	0.3
109.05117	0.2
113.01407	0.2
115.03900	0.2
119.03535	1.1
133.04909	0.3
134.96068	0.3
136.06180	100.0
137.04622	0.4
137.06670	0.9
153.50656	0.2
164.93484	0.5
192.17442	0.2
226.93082	0.2
229.47023	0.2
268.10373	6.2
268.94452	0.7
268.98203	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.9459
Annotation	Unknow
Peak:m/z	Relative Intensity
74.91708	4.0
94.93007	12.0
102.40332	4.4
134.96109	31.2
136.06187	100.0
136.94025	5.7
137.06631	21.3
156.20143	3.7
162.95560	7.5
164.08200	4.3
164.93527	49.5
174.34383	4.1
178.95123	21.3
188.93541	16.4
206.94547	5.8
220.43202	4.1
250.93633	10.5
268.94629	85.3
268.98245	86.3
290.31009	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	268.9824
Annotation	Unknow
Peak:m/z	Relative Intensity
63.80574	1.8
65.98920	1.9
68.38673	1.8
69.22562	3.5
69.22983	12.3
71.01501	2.0
94.93016	2.8
107.00330	1.9
136.94038	6.1
140.44629	2.3
141.18051	1.9
153.23999	1.9
162.95584	5.7
164.93524	3.6
239.93436	2.1
268.98245	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.9983
Annotation	Unknow
Peak:m/z	Relative Intensity
58.08968	0.3
59.60164	0.3
70.71426	0.7
80.55918	0.3
98.23247	0.4
99.69757	0.3
104.99268	100.0
105.99573	0.7
109.20200	0.3
115.84629	0.3
117.46777	0.3
123.63499	0.3
174.12206	0.3
186.99535	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	269.0805
Annotation	Cirrhopetalin
Peak:m/z	Relative Intensity
52.77921	0.1
55.01870	1.3
55.19664	0.1
60.05497	0.1
67.05492	0.3
68.99786	2.3
69.07038	0.2
69.31326	0.6
69.31738	0.2
71.00996	0.2
71.01353	2.8
76.38676	0.1
77.92539	0.1
79.05474	0.3
81.03407	0.4
81.07043	0.4
81.34097	0.1
85.02913	0.1
91.05485	0.3
93.07001	0.2
95.08594	0.2
97.06455	0.1
103.05448	0.2
105.07007	0.2
107.04935	0.6
109.02850	0.2
109.10168	0.1
115.05489	0.3
119.08544	0.3
121.06434	0.1
123.04424	0.4
123.08089	0.2
128.06166	0.4
129.06995	0.3
131.04910	1.6
139.05341	0.2
141.06976	0.2
143.04898	0.1
143.08574	0.6
145.06458	0.2
147.04408	0.4
151.05426	0.2
152.06186	3.0
153.06981	3.9
153.33446	0.1
154.07692	0.2
155.08543	1.1
157.06438	0.4
159.04385	0.7
160.05199	3.7
161.05841	0.2
163.11153	0.3
165.06960	2.2
166.07806	0.7
167.04881	0.3
167.08542	7.0
168.05714	0.3
168.08920	0.2
169.06485	0.6
170.07169	0.2
171.08040	1.2
173.06001	0.7
176.06189	1.3
177.06978	5.6
178.07642	0.6
179.08519	0.6
180.05624	0.1
181.06464	8.8
182.07005	0.4
183.08034	0.6
183.10101	0.2
184.05238	0.2
185.06009	1.0
185.09593	0.3
186.06696	0.2
187.03806	0.3
193.06390	0.2
194.07259	0.5
194.43188	0.1
195.08037	11.4
196.08429	0.4
197.05930	1.7
198.06740	1.4
199.07536	7.3
200.08020	0.2
201.09070	0.2
205.06462	10.1
205.15796	0.1
206.07108	1.1
207.07890	0.3
208.05235	0.5
209.05968	1.0
210.06767	0.4
211.07410	0.2
213.05507	1.8
213.09085	3.1
214.06252	0.2
221.05980	0.5
222.06737	0.9
223.07520	37.7
224.07901	2.0
225.05486	0.2
225.09026	0.2
226.06227	5.6
227.06976	2.2
228.07291	0.2
229.04816	0.2
233.05948	2.0
234.06728	1.2
235.07533	0.4
237.05489	0.8
239.06958	0.2
240.07918	0.8
241.04904	0.3
241.08569	5.3
242.05713	3.1
242.08411	0.2
250.06198	0.9
251.07008	21.6
252.07758	4.1
253.05072	0.2
254.05605	0.4
267.06549	0.3
268.07397	0.9
269.08051	100.0
270.08405	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	269.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01839	5.2
57.42240	6.2
57.99353	6.6
61.34793	5.0
62.15987	5.4
63.78009	4.5
67.05498	13.1
69.03426	6.1
69.07056	17.2
71.05000	6.3
71.32273	7.8
79.05479	23.2
81.07044	37.3
83.04972	7.9
85.06528	17.9
90.82821	5.6
91.05481	17.9
93.07037	23.9
95.04961	15.2
95.08597	15.7
96.32357	5.2
97.06532	17.1
99.04519	6.8
103.19198	5.8
105.07015	24.7
107.04949	19.3
107.08579	16.4
109.06498	21.8
117.06989	15.4
118.24845	5.5
119.08536	9.8
121.06488	19.0
125.05952	11.1
127.07536	14.6
131.08545	9.7
145.06409	6.1
145.09047	8.0
145.10088	40.4
151.07570	7.4
163.11169	100.0
167.07037	17.0
168.59018	5.8
169.10063	5.6
173.09593	22.1
187.11168	22.3
191.10658	25.4
205.12256	12.4
209.11523	6.2
215.10577	8.8
233.11710	11.4
269.08044	13.5
269.11511	6.3
269.19113	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	269.1385
Annotation	Pectinolide B
Peak:m/z	Relative Intensity
52.96601	0.4
53.03939	1.0
55.01875	1.2
57.03433	1.0
64.80682	0.4
67.05496	1.1
69.03430	0.6
69.07066	0.9
69.22958	3.7
70.79805	0.4
77.03917	0.5
79.05492	8.4
81.03413	1.0
81.07053	1.3
83.04965	0.7
85.02898	0.7
85.34820	0.4
91.05487	4.9
93.07034	1.2
95.04978	3.3
95.08591	0.6
97.06546	0.7
99.23440	0.5
103.05472	7.7
105.06360	0.7
105.07039	10.1
106.04235	0.4
107.04955	68.3
107.08586	1.2
108.05289	0.9
109.02861	1.0
109.06487	0.6
115.05448	3.9
117.07032	2.1
118.06593	0.6
119.04938	0.9
120.05728	2.3
121.10177	0.6
123.04439	1.0
124.05202	1.2
125.05998	1.5
131.04933	0.6
133.06476	0.8
135.04387	0.6
135.08054	17.0
137.05945	1.2
139.03880	0.7
143.42525	0.4
145.06508	1.1
145.07602	1.8
147.04373	1.6
148.05237	0.5
149.05974	0.7
151.03935	0.7
152.04843	0.6
152.06252	0.5
154.06239	4.8
155.07118	0.4
163.07545	26.7
164.07899	1.0
165.05466	1.8
167.07039	29.3
168.07394	0.6
180.07835	7.4
180.80185	0.5
195.10168	100.0
196.10562	2.4
227.07082	0.9
233.11717	0.5
241.08495	0.5
255.06390	0.7
269.04297	0.6
269.13400	0.4
270.08871	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.7
53.03288	0.7
53.03939	2.9
55.01861	2.6
55.05245	1.4
55.05508	21.9
57.03434	30.9
57.07078	4.3
57.42447	0.6
59.04994	0.7
65.03938	2.1
67.05500	75.9
68.05833	1.3
69.03450	1.0
69.07064	29.7
69.30450	1.6
69.30877	2.9
69.33875	0.5
71.04988	7.7
72.08155	0.8
73.02914	0.7
79.05490	44.7
80.05804	0.8
81.03416	2.5
81.07052	100.0
82.07392	1.4
83.04980	8.3
83.08612	17.1
83.09087	1.2
85.02914	0.8
85.06545	6.5
91.05477	26.9
93.07039	68.8
94.07347	0.8
95.04960	6.9
95.08598	28.3
96.49637	0.7
97.05943	1.2
97.06525	14.4
97.07103	1.3
97.10150	2.2
99.04451	0.9
99.08086	3.9
103.05499	0.8
105.04525	1.9
105.07027	10.6
107.08589	33.4
109.06516	3.5
109.10142	5.8
111.08080	8.1
111.11726	0.7
113.05965	1.2
113.09649	1.1
115.05439	0.7
117.07016	10.9
119.08545	3.3
121.06502	2.4
121.10142	18.9
123.08033	1.0
123.11670	3.9
125.09596	0.9
127.07527	1.4
128.04308	0.6
131.08562	12.7
133.10120	13.3
135.08047	2.5
135.11687	11.1
136.06209	1.0
137.09610	0.7
139.11148	1.8
141.63472	0.7
145.10088	0.9
147.11690	2.0
149.09615	1.4
149.13246	35.4
150.13661	0.9
151.11153	2.3
153.09052	0.6
154.06265	1.0
154.86464	0.7
157.09999	0.8
159.11687	18.3
161.13197	0.6
163.11246	0.7
167.14259	1.1
177.12718	9.1
179.14232	0.7
180.07748	1.9
195.13809	9.4
213.14838	0.9
215.17934	1.6
233.19043	1.0
235.33533	0.6
237.09189	0.7
251.20097	1.9
269.07999	1.2
269.17444	35.7
270.17819	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.1
54.69587	0.8
55.01856	2.8
55.05251	1.6
55.05509	22.5
57.03438	27.6
57.07054	1.9
65.03931	2.7
65.47385	0.9
67.05502	69.3
68.05817	0.8
69.03416	1.4
69.06708	1.5
69.07066	26.4
71.04993	6.6
71.32559	1.5
71.92120	0.9
79.05492	43.8
81.03407	1.9
81.07052	100.0
82.07396	1.3
83.04977	7.9
83.08620	20.7
85.06538	7.2
91.05476	23.4
93.07039	62.5
95.04993	5.9
95.08020	1.3
95.08607	25.0
96.08961	1.4
97.06519	14.3
97.10191	2.1
99.04393	1.3
99.08079	3.9
105.07014	10.7
106.90646	1.0
107.08586	37.2
109.06499	3.3
109.10172	6.4
111.04408	0.9
111.08066	7.9
113.06019	1.3
113.09634	1.1
117.07014	9.1
119.08573	2.5
121.06481	2.4
121.10137	16.1
123.11688	4.8
127.07528	1.2
129.05487	0.8
131.08554	12.7
133.10123	11.9
135.08040	1.7
135.11676	10.0
139.11238	1.1
142.58006	0.9
145.10161	1.2
147.11667	2.5
149.09595	1.7
149.13249	38.2
150.13562	2.0
151.11174	2.1
159.11673	21.0
161.13203	1.1
167.14215	1.2
177.05431	1.2
177.12733	11.1
181.06409	1.4
193.08725	1.0
195.13808	12.3
226.06334	1.0
251.20026	1.0
269.08051	3.4
269.11551	3.3
269.17444	50.4
270.17981	1.6
271.34531	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1746
Annotation	Arteincultone
Peak:m/z	Relative Intensity
51.61176	0.9
53.03933	3.5
55.01870	3.5
55.05511	21.7
56.52505	0.9
57.03439	36.9
57.07076	5.8
65.03928	1.7
67.05504	79.4
68.05810	1.2
69.07067	32.4
69.47166	4.2
69.47583	2.1
71.05006	5.1
71.08636	2.1
73.02897	0.9
79.05491	47.7
80.05820	1.4
81.03411	2.1
81.07056	100.0
83.04983	12.8
83.08618	17.9
85.06546	6.1
91.05476	23.2
93.07043	72.2
94.07345	1.4
95.04955	7.2
95.08022	1.6
95.08604	25.1
97.06532	14.4
97.10140	2.5
99.08103	4.8
105.07025	8.2
107.04952	1.3
107.08595	39.6
109.06506	2.0
109.10137	4.7
111.08067	8.7
113.05992	1.8
113.09645	1.7
117.07002	7.8
119.08550	1.9
121.06439	1.3
121.10148	22.5
123.11687	1.4
131.08595	6.5
133.10123	8.0
135.08063	2.1
135.11696	9.2
139.07527	1.5
139.11183	3.0
147.08160	1.1
147.11652	2.5
149.09535	1.2
149.13251	46.5
150.13586	1.0
157.10085	1.2
159.11685	18.6
167.14334	1.4
177.12738	9.3
195.13847	10.3
213.14911	1.5
251.41559	1.0
269.11649	3.2
269.17456	38.5
269.22235	1.8
270.17770	1.5
270.27942	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	269.1746
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03934	2.8
55.01849	2.8
55.05507	19.4
57.03436	29.3
57.07055	3.4
65.03920	2.7
67.05501	76.0
69.03412	1.3
69.06705	1.6
69.07063	27.7
71.01324	1.1
71.04987	7.3
71.32712	0.8
73.02911	1.2
79.05489	42.5
81.07050	100.0
81.84872	0.9
82.07357	1.1
83.04974	9.4
83.08617	17.7
85.06537	6.4
91.05472	26.7
93.04095	0.7
93.07039	65.9
95.04968	6.0
95.08595	25.5
97.06522	15.1
97.10159	2.2
99.08076	3.9
100.90682	0.7
105.04485	2.3
105.07027	9.9
107.04926	0.9
107.08583	33.5
107.69089	0.8
107.97987	0.9
109.06535	3.8
109.10159	5.7
111.08064	9.5
113.05984	1.4
115.05396	0.9
117.07010	9.8
119.08584	3.8
119.21421	0.8
121.06469	1.4
121.10142	18.8
123.11702	4.3
125.09623	1.5
129.06931	0.8
131.08557	13.2
133.10115	15.2
135.08014	2.6
135.11690	11.8
139.11133	1.9
139.20345	0.8
144.85269	0.8
145.10135	1.6
147.11646	2.2
149.09653	1.6
149.13246	41.0
150.13579	1.2
151.03941	0.8
151.11139	2.0
157.10114	1.4
159.11678	20.0
161.13261	1.2
167.14311	1.4
173.13219	0.9
177.12732	9.3
181.06445	0.9
195.13760	10.4
213.14839	1.4
215.17957	1.3
233.19069	1.5
243.54448	0.8
269.05148	1.0
269.08038	6.8
269.11319	1.7
269.17432	37.5
270.08847	1.1
270.17651	2.1
277.94742	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03947	3.3
55.01878	4.1
55.05511	25.7
57.03436	37.2
57.07075	4.4
59.04988	0.9
59.11003	0.6
64.54144	0.5
65.03940	2.6
67.05502	74.7
68.05840	0.7
69.03416	1.2
69.07066	32.9
69.20510	3.9
69.20921	1.0
69.40617	0.5
71.01363	1.0
71.04994	7.9
71.08641	0.6
73.02917	0.7
77.03934	0.9
79.05491	46.0
80.05841	0.9
81.03411	2.1
81.07056	100.0
82.07388	1.2
83.04983	11.3
83.08125	1.0
83.08618	19.7
85.06545	5.9
91.05476	23.6
92.05804	0.8
93.07043	72.1
94.07366	1.0
95.04968	5.6
95.08605	25.4
97.06529	15.2
97.10135	2.5
99.04443	1.1
99.08099	4.6
101.06027	2.7
105.04521	2.2
105.07033	8.7
107.04935	0.9
107.08595	38.9
108.08938	0.6
109.06562	2.8
109.10152	4.6
111.08073	10.8
111.11736	1.5
113.06000	1.8
113.09628	1.5
115.05450	1.1
117.07015	9.6
119.06104	1.1
119.08568	6.5
121.06496	1.5
121.10148	21.3
122.10509	0.9
123.11700	5.2
125.05979	0.7
125.09640	1.4
126.35857	0.6
127.07546	1.0
129.05466	0.8
129.07001	0.7
131.08566	10.6
133.10127	9.3
135.08081	1.8
135.11690	9.0
139.07555	2.9
139.11179	2.8
139.36134	0.5
143.08498	0.9
145.10135	0.9
147.11690	1.8
149.09665	1.1
149.13251	45.6
150.13591	1.2
151.11230	0.9
153.07024	0.7
153.09033	0.9
157.10138	1.7
159.10381	0.9
159.11693	17.6
159.12964	1.2
161.13332	0.8
163.14809	1.6
167.14319	1.4
171.11626	0.7
173.13284	0.8
177.12741	9.7
185.13310	0.6
191.14302	1.6
195.13792	11.0
196.14088	0.6
199.14825	0.6
213.16501	1.0
225.43321	0.5
226.09875	0.7
233.15469	0.7
251.16353	0.7
269.07959	1.1
269.11447	0.9
269.17459	29.9
269.22568	3.4
270.17801	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1745
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03937	2.8
55.01859	3.8
55.05510	22.7
57.03433	34.8
57.07064	3.9
59.04992	1.7
65.03920	2.1
67.05501	83.3
68.05829	1.3
69.03425	2.4
69.06706	2.3
69.07063	33.4
71.04989	7.7
71.08634	1.6
71.32988	1.7
73.02892	1.2
77.03919	1.6
79.05486	50.5
81.03403	3.1
81.07050	100.0
82.07426	1.5
83.04982	8.6
83.08614	17.9
85.06550	6.7
91.05474	25.6
93.07037	73.5
94.07358	1.5
95.04948	7.5
95.08600	27.3
97.06525	15.3
97.10162	3.6
99.04448	3.1
99.08103	4.4
105.04536	1.5
105.07014	11.8
107.08582	43.4
108.08920	1.3
109.06493	4.9
109.10144	5.9
110.06762	1.1
111.08083	8.7
111.11691	2.0
113.05996	2.0
113.09601	2.0
117.07005	8.7
119.08571	4.5
121.06510	2.7
121.10130	23.6
123.08075	2.2
123.11662	3.2
125.09685	1.9
131.08553	10.7
133.10115	9.4
134.12430	1.2
135.08058	3.9
135.11687	9.5
137.09578	2.2
139.11189	3.5
143.08612	1.4
145.10127	3.1
147.11684	2.9
149.09615	2.0
149.13245	50.7
151.11201	2.3
153.09068	1.9
159.11690	20.0
163.11153	2.1
177.12740	10.1
179.10643	1.6
181.06512	1.8
191.10631	2.8
195.13783	12.3
209.09714	1.8
237.05446	1.4
251.12607	1.5
269.08093	4.7
269.11606	4.4
269.17438	35.7
269.22211	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.9
55.01871	2.9
55.05511	21.6
57.03436	36.9
57.07066	4.2
59.04977	0.9
63.48847	0.7
65.03934	1.0
67.05502	80.4
68.05852	0.9
69.03429	2.0
69.07065	32.5
69.46123	0.7
71.04990	7.5
73.02911	0.9
76.77393	0.8
77.68631	0.7
79.05491	47.2
81.03409	3.3
81.07053	100.0
82.07380	1.8
83.04980	11.8
83.08618	18.3
85.02877	1.1
85.06548	6.5
91.05477	24.5
93.07041	73.5
94.07392	1.0
95.04956	7.4
95.08601	24.5
97.06526	16.6
97.10152	3.3
98.22546	1.5
99.08072	4.8
101.06055	0.8
105.04536	1.5
105.07034	9.9
107.04989	1.1
107.08588	39.2
109.06529	3.4
109.10133	4.3
110.58199	0.7
111.08082	10.0
111.11702	2.0
113.06000	1.9
113.09654	2.0
117.07012	9.1
117.45248	0.7
118.39837	0.8
119.08599	4.6
121.06488	2.2
121.10134	26.1
121.10994	1.5
123.11683	3.0
127.07591	1.0
129.07039	1.2
131.08566	11.1
133.10120	8.8
135.08075	1.8
135.11682	10.3
136.29779	0.7
139.11176	2.4
143.08542	0.9
145.10152	1.6
147.11678	2.6
149.09636	1.3
149.13251	47.5
150.13622	0.7
151.11165	1.5
154.61461	0.7
157.10146	1.3
159.08005	0.9
159.11696	20.3
160.12044	0.8
163.11266	0.7
167.14345	1.3
173.13217	1.1
177.12727	11.4
181.04910	0.8
195.13789	12.9
199.14862	1.3
215.14462	0.8
228.89503	0.7
237.09137	1.2
254.05440	0.8
269.08249	1.6
269.11526	1.7
269.17462	36.7
269.22552	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03949	3.9
55.01884	3.7
55.05512	23.5
57.03439	37.3
57.07073	4.4
65.03932	1.9
67.05507	81.7
69.07071	32.8
69.22701	10.7
71.04990	6.8
71.08667	1.4
71.88738	1.2
77.03939	1.2
79.05497	47.6
79.05958	2.9
81.03413	2.9
81.07058	100.0
82.07370	1.5
83.04989	7.4
83.08623	17.6
85.06541	7.5
91.05484	21.9
93.07047	71.5
94.07368	1.7
95.04963	6.1
95.08608	27.3
97.01962	1.2
97.06529	15.2
97.10165	2.8
98.22562	2.3
99.08104	4.8
105.07050	10.0
107.08600	37.5
109.06528	2.8
109.10172	5.8
111.08092	7.3
111.11742	2.1
117.07016	8.4
119.08581	4.7
121.06569	1.5
121.10148	23.4
131.08572	8.4
133.10152	10.6
135.08076	1.8
135.11710	11.8
139.11208	2.4
143.08615	2.2
147.11710	2.3
149.13254	46.9
150.13620	1.2
157.10104	1.3
159.11682	22.0
159.39891	1.2
167.14282	1.8
177.12755	10.6
195.13818	12.9
213.16425	2.0
257.70398	1.3
269.08344	2.2
269.11517	2.5
269.17471	40.4
269.22272	7.2
270.08652	2.0
270.17752	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.9
55.01867	3.3
55.05507	20.3
56.36124	1.1
57.03434	35.3
57.07061	3.8
60.25129	1.0
67.05501	79.2
69.07063	29.1
70.47867	3.6
71.01315	1.3
71.05000	5.7
79.05490	45.4
81.03425	2.4
81.07053	100.0
81.95637	1.1
82.07363	1.1
83.04986	10.8
83.08615	17.3
85.06560	5.4
91.05477	23.5
93.07040	69.4
94.07401	1.8
95.04965	6.1
95.08597	25.1
95.75076	1.0
97.06525	13.3
97.10162	2.9
99.04459	1.3
99.08080	4.4
105.07034	7.6
107.08591	38.3
109.06509	3.1
109.10158	4.9
111.08073	9.7
113.09649	1.7
117.07010	9.1
119.08575	4.8
121.06526	1.4
121.10133	22.7
123.11698	2.8
127.07589	1.4
131.08571	9.2
133.10141	9.7
135.08051	2.5
135.11688	9.6
139.11168	2.2
145.10153	2.1
147.11693	3.4
149.13243	46.0
151.11118	1.5
157.10173	3.1
159.11696	18.2
173.51128	1.2
177.12730	8.7
195.13779	11.9
198.06961	1.2
213.14865	1.4
226.06197	1.6
248.99103	1.1
269.08099	3.2
269.11557	1.7
269.17490	40.7
269.22443	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	270.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02758	3.5
59.04993	21.9
65.84528	4.0
69.03416	4.3
69.50854	25.9
75.04479	12.2
78.87730	3.6
85.02979	4.0
85.06589	5.2
87.04473	28.6
89.06004	5.7
97.02840	3.7
98.23272	4.2
103.03946	12.2
104.07116	4.9
105.07036	6.6
106.02467	3.8
119.03454	8.2
119.55547	3.7
120.08150	6.6
129.06982	4.4
131.03421	18.6
132.08083	12.1
134.09650	7.6
136.06218	25.7
153.07375	6.1
161.04475	31.9
182.04494	4.6
206.11786	11.5
217.03421	100.0
221.85966	3.9
224.12814	31.1
235.04416	24.3
247.01680	4.6
252.12387	8.5
270.13449	26.0
270.15906	4.6
271.03232	4.1
271.05984	15.3
272.29507	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	270.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22158	29.8
52.20555	29.8
53.91075	27.5
70.09610	66.7
70.09991	58.7
73.06569	57.4
85.02919	62.3
88.30965	27.7
90.61423	25.5
90.84190	25.7
97.02918	45.8
98.22663	36.3
98.97586	47.6
107.02274	31.2
112.65480	25.5
135.04628	24.8
136.06139	37.4
138.05432	25.4
140.01456	25.4
145.05013	40.8
147.04445	30.2
147.60939	26.0
156.74536	25.6
177.00897	42.5
247.01515	100.0
265.02805	79.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0598
Annotation	5,7,3'-Trihydroxyisoflavone
Peak:m/z	Relative Intensity
53.03925	0.7
55.01873	1.2
65.03937	3.2
67.01846	1.5
68.99784	10.8
69.03410	0.9
71.04456	0.9
71.04806	1.0
79.05490	1.1
81.03404	2.3
81.07047	1.5
89.03905	1.0
91.05474	11.7
91.97370	0.5
95.01318	0.9
97.02842	0.6
99.04449	0.5
103.05435	0.7
105.07030	0.9
107.04957	8.1
109.02838	0.8
111.00771	1.1
115.05452	2.3
116.10715	0.9
117.07000	1.7
119.04945	5.7
121.02857	17.0
128.06218	1.3
129.06987	2.2
131.04890	3.6
131.08566	2.0
133.02832	1.0
133.06439	0.6
135.04407	1.0
137.05984	0.7
141.06978	10.8
144.05670	1.2
145.02850	2.9
145.06456	2.2
147.04410	3.0
147.08040	3.0
149.02327	91.3
150.02689	1.6
152.06180	1.6
153.01817	21.2
153.06963	2.5
154.02017	0.6
155.04881	1.8
155.06021	0.6
155.08597	0.6
157.06511	2.7
159.04424	4.9
159.08034	2.0
161.05986	0.6
165.01831	1.4
165.06996	3.5
167.03372	0.8
167.92349	0.7
168.05693	1.2
169.06465	11.5
171.08018	0.9
173.05956	5.2
174.06551	0.5
175.07492	0.8
180.31812	0.5
181.06465	4.0
183.04387	2.1
183.08040	1.2
184.05203	0.9
185.05917	2.3
187.03870	3.5
187.07492	3.0
191.63678	0.5
193.06349	0.6
196.05170	0.8
197.05965	16.9
197.07774	1.1
198.06706	0.8
198.14871	0.8
199.07507	1.8
200.04663	1.5
201.05429	3.4
203.06976	2.2
210.06757	0.6
211.03986	0.8
211.07530	1.9
213.05452	1.6
215.07005	100.0
216.07329	3.8
221.05956	0.7
225.05418	4.4
226.06023	0.6
226.14380	1.8
227.06960	1.6
229.04962	5.1
239.07129	1.1
239.98369	0.5
243.06500	72.5
244.06920	3.0
253.04985	4.5
271.05991	75.4
271.09473	5.8
272.06342	4.3
276.67270	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0598
Annotation	5,7,3'-Trihydroxyisoflavone
Peak:m/z	Relative Intensity
53.03931	1.1
55.01865	1.1
55.69597	0.5
59.20432	0.5
63.96355	0.5
65.03941	3.6
67.01832	1.0
68.99786	11.0
69.03423	1.1
69.42331	3.7
76.70725	0.6
79.05495	0.8
81.03416	2.1
81.07069	1.2
83.05015	0.6
83.86831	0.5
89.03901	0.9
91.05473	11.2
92.05798	0.6
95.01340	0.7
97.02892	0.7
97.06549	0.5
98.09690	0.8
103.05463	0.8
105.07063	0.7
107.04961	6.5
109.02851	0.7
111.00801	1.3
115.05424	2.8
116.10728	0.7
117.07005	2.3
119.04938	5.3
119.08601	0.8
121.02856	18.1
121.03770	0.9
127.03890	0.7
127.11131	0.5
128.06189	1.3
129.07019	1.9
131.04921	4.3
131.08546	1.7
133.02855	1.1
135.04456	0.5
137.05917	1.0
141.05907	0.6
141.06984	10.0
143.08522	0.7
144.05705	0.9
145.02808	3.0
145.06485	2.4
147.04355	3.6
147.08049	2.8
149.02328	92.7
150.02748	1.9
152.06224	1.3
153.01810	22.5
153.05600	0.5
153.06938	3.0
155.04878	2.9
155.06009	1.2
155.08566	1.1
157.06491	3.1
159.04420	4.7
159.08078	2.4
161.05913	0.6
165.01866	0.9
165.06995	2.9
167.03331	0.8
168.05672	0.8
169.05057	0.8
169.06480	13.4
173.05974	6.3
175.07445	0.8
181.06488	3.5
182.07202	0.9
183.04401	2.2
183.08080	1.5
185.05945	2.4
187.03850	3.7
187.07509	4.2
192.19858	0.5
197.05966	17.8
198.06544	0.9
198.14868	2.0
199.07523	1.4
199.17902	0.7
200.04625	0.8
201.05449	4.4
203.06987	1.9
210.06685	0.7
211.03981	0.6
211.07510	1.9
213.05472	1.4
215.07014	100.0
216.07333	3.7
221.06090	0.6
225.05382	4.3
226.14348	1.7
227.06967	1.2
229.04945	4.4
239.06863	0.7
243.06505	73.3
244.06854	2.8
253.04929	5.3
271.05988	79.0
271.09366	2.5
272.06381	3.8
272.09158	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0965
Annotation	Amoenumin
Peak:m/z	Relative Intensity
53.03940	1.1
53.58348	0.6
55.01875	6.1
55.05516	2.0
55.78672	0.7
65.03938	1.1
67.05503	1.9
68.99790	13.5
69.03416	1.7
69.16212	5.9
69.33538	0.6
71.04987	1.4
78.21590	0.6
79.05492	2.8
81.03436	1.0
81.07056	7.7
82.06572	0.8
89.03905	1.1
91.05488	11.4
93.07042	1.1
94.04196	1.0
95.04971	2.7
95.08593	1.6
97.06538	1.2
98.09690	4.2
99.08097	2.0
103.05459	1.2
105.07030	2.8
107.04942	3.5
107.08575	1.5
109.02892	1.0
109.06534	0.9
109.10120	1.1
111.00803	1.5
111.04440	1.5
111.08087	0.8
115.05470	5.7
116.10756	2.1
117.03391	0.8
117.07031	0.8
118.04143	2.3
119.04949	8.1
119.08611	1.4
121.06525	3.3
123.04451	2.1
124.05231	1.4
127.11155	1.6
128.06224	1.9
129.07002	4.7
131.04948	1.9
131.08511	0.8
133.06482	1.7
134.03630	1.4
135.04436	1.3
137.05983	6.5
139.05440	1.1
140.06233	1.6
141.06989	12.1
143.04918	0.9
144.05713	0.9
145.06519	2.1
146.03647	1.4
147.04391	5.6
147.08078	0.8
149.05994	2.9
149.09584	1.7
150.06793	0.7
151.03932	1.2
151.07547	0.7
152.06212	7.2
153.05652	1.0
153.06981	29.9
154.07788	4.3
155.04942	5.4
155.06026	1.2
155.08554	14.8
155.10672	1.9
157.06480	7.4
159.04433	1.9
160.05128	0.7
161.05995	3.8
163.03841	0.7
163.05386	0.7
165.06998	75.6
166.07498	2.3
167.04944	1.3
167.08609	1.5
167.10670	1.1
168.05707	12.9
169.06479	13.4
170.07265	2.7
171.08022	1.5
173.05975	12.8
175.07603	1.1
177.05479	0.7
177.07039	0.9
179.04832	1.4
179.08548	1.6
180.05750	1.0
181.04871	1.1
181.06477	17.3
181.08003	1.1
182.07278	9.1
183.04482	4.8
183.08051	32.7
184.05202	1.2
184.08383	0.9
185.06007	7.5
187.03894	4.4
187.07538	1.0
193.06395	17.7
194.07150	1.5
195.08035	1.6
196.05185	7.0
197.05994	15.0
197.07805	1.3
197.09576	1.3
198.06699	2.2
198.14902	8.5
199.07571	3.8
200.08334	4.4
201.05484	9.5
203.07028	6.4
207.04402	4.4
209.05893	2.1
210.06778	9.3
211.07529	43.5
212.08287	4.5
213.05463	4.4
213.09119	2.3
215.06995	2.9
221.05963	22.1
222.06403	0.7
224.04649	0.7
225.05566	6.4
225.09099	9.1
226.06235	1.2
226.14369	10.7
227.07042	2.5
228.07774	4.6
229.04976	12.9
229.08458	1.2
235.07530	1.5
235.16917	0.8
237.05466	0.7
238.06285	2.1
239.07022	15.2
239.09393	1.1
240.07877	1.6
241.08464	1.3
242.09355	4.1
243.06543	6.7
243.10136	5.9
253.04941	5.0
253.08617	10.4
254.09224	0.8
256.07315	4.1
257.08109	1.5
266.69492	0.7
267.70703	0.7
271.02499	6.5
271.06052	59.9
271.09653	100.0
272.06573	3.0
272.09839	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	271.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.7
55.01841	1.8
55.05501	2.5
67.05496	1.6
68.99426	1.3
68.99792	21.5
69.03426	1.5
69.05455	3.4
69.05873	11.3
69.07048	1.7
73.26417	1.4
74.28896	1.4
79.05479	2.8
80.20089	1.2
81.03390	1.5
81.07030	1.6
81.51086	1.2
83.04958	1.5
85.02892	1.7
91.05001	1.2
91.05463	8.3
93.59071	1.2
95.08604	1.2
97.01086	1.7
98.00281	1.4
98.97559	1.5
99.04496	1.3
103.05457	3.0
105.07024	4.3
107.04972	12.7
111.00770	2.8
115.05437	3.8
119.04926	3.4
121.06492	16.9
123.02601	2.4
123.08047	1.6
128.06226	1.9
129.06978	5.5
131.04919	5.7
133.06526	2.0
135.02644	4.4
135.08008	2.1
137.02257	1.5
137.06009	7.3
141.06949	7.5
143.08539	1.4
145.06470	3.1
146.07268	2.3
147.04427	2.3
148.05161	2.5
149.02309	2.6
149.06029	2.0
151.07516	2.0
152.06181	2.1
153.01773	1.7
153.07039	2.2
155.04926	9.6
155.08533	2.2
157.06491	6.1
159.04367	4.6
161.05952	47.5
161.09616	12.1
163.07526	5.9
165.06978	6.8
167.06950	1.7
168.05669	2.2
169.06502	6.8
171.11665	1.6
173.05977	18.1
179.01637	4.7
179.07059	10.2
180.26308	1.2
181.06493	2.2
183.04359	7.6
183.08081	3.0
184.04839	1.4
185.05966	7.3
187.03844	11.7
187.07581	2.1
189.09085	21.6
189.12613	1.5
197.02745	2.0
197.05974	12.5
201.05450	18.3
203.06950	7.8
207.10139	22.4
211.03906	2.5
211.07542	5.5
215.07071	8.5
221.05888	2.8
225.02139	4.6
225.05470	10.2
225.09103	1.9
229.04953	22.0
239.06987	2.1
243.06551	12.8
253.04868	10.2
265.60037	1.5
271.02826	3.9
271.05960	100.0
271.09497	7.2
271.87857	1.3
272.06296	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	271.1175
Annotation	Pentamethoxyacetophenone
Peak:m/z	Relative Intensity
53.03938	1.3
53.44701	0.4
55.01868	4.6
57.03433	3.4
65.03938	3.5
67.05492	2.4
68.99784	5.0
69.03439	1.2
69.07081	0.5
70.06591	0.7
71.04986	0.7
71.16758	0.8
72.31267	0.4
73.02916	33.4
75.04478	3.6
79.05489	1.3
81.03414	1.7
81.07055	1.6
83.04958	0.7
85.02921	1.0
86.06075	0.7
91.03944	0.9
91.05482	3.7
93.03402	4.1
93.07047	1.5
95.01326	0.5
95.04989	1.5
97.02879	0.6
97.06553	0.5
99.04466	1.0
103.05463	1.2
105.07028	1.3
107.04944	1.6
108.02093	1.7
109.02882	1.8
109.06510	0.9
109.10149	0.5
110.03694	5.6
111.00850	0.6
111.04459	4.6
115.05472	0.8
117.03383	0.5
119.04959	2.7
119.08568	0.9
121.06503	1.6
123.04419	1.7
125.05989	37.5
126.06313	1.2
127.03941	1.2
128.06194	0.6
129.05402	0.6
129.07013	1.3
131.04955	1.0
131.08516	0.6
135.04427	1.8
135.08092	0.8
137.05968	2.9
137.09566	0.7
141.05458	1.7
141.07005	2.8
145.06448	0.9
147.04405	1.8
147.06525	4.1
149.02419	0.5
149.05959	3.7
150.06763	1.2
151.03908	100.0
151.05008	9.3
151.07463	4.6
152.04253	1.8
153.06998	1.3
155.04910	1.5
155.08585	1.3
157.06465	1.1
159.04424	1.1
161.05943	0.6
163.03923	1.0
163.07567	2.4
165.05568	1.0
165.07018	4.2
167.07108	1.1
169.06480	2.7
173.05994	3.8
175.07602	0.6
179.07031	19.7
180.07346	0.8
181.05022	0.8
181.06493	0.7
181.08565	0.7
182.07253	0.6
183.04437	2.0
183.08043	1.9
185.06036	1.3
187.03854	3.5
187.07603	0.7
190.87314	0.5
193.06548	1.3
194.18813	0.5
195.06476	0.6
196.05299	0.8
197.06030	4.3
197.08119	18.2
198.08395	0.5
199.09662	1.0
201.05458	3.2
203.07060	1.8
210.06693	0.6
211.07571	3.6
213.05421	0.7
215.07021	2.6
221.06053	1.2
225.05478	2.0
225.07584	3.9
226.06184	0.5
229.04974	3.8
235.13373	0.5
239.07031	2.1
243.06488	3.2
243.10109	0.8
245.00343	0.5
253.04887	1.6
253.08556	0.8
253.10693	3.3
268.89340	0.6
271.06024	20.8
271.09552	2.2
271.11908	15.9
272.06311	1.2
272.10385	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11360	1.7
53.03940	4.9
55.01875	4.5
55.05513	4.0
57.03442	8.1
61.02931	3.2
65.03944	3.7
67.05515	7.9
68.99792	6.9
69.03431	17.1
69.07065	4.8
70.46156	1.8
70.46485	3.8
71.05006	9.6
73.02911	3.2
73.54121	1.5
75.04475	2.0
76.37759	1.4
79.05497	7.4
81.03415	8.0
81.07055	13.7
83.04981	5.6
85.02901	20.4
85.06547	4.8
91.05482	99.6
92.05817	2.1
93.07028	7.3
95.04963	9.3
95.08599	4.5
97.02892	18.2
97.06557	8.3
98.06036	2.0
99.04441	4.5
99.08071	2.7
103.05472	2.0
105.07029	7.6
107.04950	5.5
107.08591	4.8
109.02872	12.1
109.06520	6.4
109.10149	10.6
110.03212	5.1
113.05996	3.0
115.05470	3.9
117.07051	1.9
119.04989	2.6
119.08587	4.6
121.06513	5.6
121.10160	4.9
122.03638	1.9
123.04435	4.4
123.08059	4.7
125.09646	2.9
127.03909	13.3
127.07561	3.9
127.11196	7.8
128.06235	2.8
129.07008	4.9
131.04962	2.0
131.08583	2.9
133.06496	3.3
133.10118	3.7
135.08041	1.9
135.11685	1.8
137.05980	100.0
137.09578	7.5
138.06265	3.8
141.06987	3.8
143.08588	2.2
145.04985	4.5
145.10114	3.1
146.03633	2.1
147.04433	4.9
147.08148	1.7
147.11687	3.8
149.05972	4.7
149.09625	6.8
151.03978	3.0
151.07634	2.2
151.11168	4.5
153.05678	7.9
153.06900	9.6
154.07797	2.0
155.04939	2.0
155.08586	6.8
155.10715	4.1
157.06485	2.8
157.10066	2.0
161.05981	5.1
163.11160	2.5
165.07005	33.5
165.12791	1.8
167.07062	2.1
167.08617	2.4
167.10692	4.3
168.05704	5.9
169.06517	3.0
173.06065	4.3
175.07581	8.1
179.07031	13.5
179.08493	2.6
181.06551	6.4
182.07271	6.5
183.04411	3.3
183.08028	12.6
185.05969	4.9
187.07542	1.8
189.16534	1.8
193.06502	14.2
193.08253	2.4
195.08080	2.1
196.05037	2.4
197.06001	5.6
197.09633	3.0
201.05518	6.0
207.10188	2.1
209.08025	2.6
210.06749	11.5
211.04253	1.9
211.07579	24.7
213.05420	3.0
215.07196	1.7
217.15771	2.2
221.05927	21.9
223.16904	2.5
225.05467	2.8
225.09076	13.9
227.06960	2.7
228.07919	3.4
229.04976	6.7
235.09674	3.2
235.13330	1.9
235.16858	4.6
238.06265	3.1
239.07050	17.5
241.04840	2.2
241.07007	2.1
243.06557	4.2
243.10199	4.2
253.04930	2.0
253.08571	17.2
253.10814	2.7
253.14380	1.7
253.17987	2.3
256.07275	4.6
271.06070	28.3
271.09711	55.5
272.06616	2.0
272.10150	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	271.1902
Annotation	Trichocarane D
Peak:m/z	Relative Intensity
53.03946	5.6
55.01854	5.5
55.05510	21.7
57.03436	5.0
57.07069	10.4
58.59680	2.4
59.04997	6.0
62.90348	1.9
65.03903	3.1
67.05507	40.6
69.03423	16.1
69.06713	3.1
69.07068	43.6
69.74720	11.4
71.04995	43.3
73.06551	7.2
79.05502	26.8
81.03426	4.3
81.07059	80.7
82.07426	2.3
83.04983	23.0
83.08612	5.4
85.06545	10.6
91.05470	17.3
93.07043	36.8
95.04972	16.0
95.08614	32.2
97.06532	48.5
97.10169	4.1
99.08090	33.2
105.07037	29.5
107.08590	41.6
109.02858	4.4
109.06522	23.9
109.10162	100.0
111.08086	13.8
113.05999	15.9
115.07566	2.4
117.07039	6.2
119.04964	4.8
119.08590	22.6
121.06512	5.4
121.10136	31.7
122.10461	2.5
123.08060	26.1
123.11693	11.5
125.06002	10.1
125.09652	16.7
127.03940	3.0
127.07534	7.2
127.11192	55.1
129.07002	4.0
131.07104	3.2
131.08551	8.3
133.10132	15.9
133.10999	2.8
135.08095	4.4
135.11679	10.8
137.05939	2.8
137.09612	84.8
139.11192	9.7
141.07005	3.9
141.09081	4.1
145.10118	15.3
145.15732	2.1
147.08070	3.4
147.11652	18.4
149.05896	2.5
149.09612	49.7
149.13260	7.7
150.09935	3.0
151.11194	10.4
153.06984	6.4
153.09084	5.5
153.12750	3.3
155.08592	5.1
155.10681	35.8
157.10115	10.5
159.11736	8.2
161.09615	5.3
163.11197	16.8
163.14888	2.7
165.07013	13.9
165.12738	19.2
167.10678	33.3
167.14250	3.4
168.05716	2.8
169.12296	3.2
173.13304	2.3
175.11166	3.2
175.14769	6.5
177.16370	2.8
179.10681	3.6
181.06462	5.6
181.12242	3.9
182.07260	3.1
183.08098	6.9
187.14743	4.9
189.16460	6.0
193.15933	9.1
195.17432	3.2
196.37679	2.4
199.13254	6.8
199.14885	6.8
201.05411	3.4
205.15915	8.6
211.07552	8.6
217.15846	15.3
221.05969	2.4
223.16924	27.6
235.16930	49.2
239.06927	2.9
243.06548	4.8
253.18011	20.6
271.06390	14.6
271.09564	23.7
271.19025	36.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1903
Annotation	Trichocarane D
Peak:m/z	Relative Intensity
51.45480	2.5
55.01863	3.6
55.05516	21.3
57.03438	7.2
57.07074	12.0
59.04993	4.6
61.02920	3.9
67.05505	44.2
68.99786	2.5
69.03435	15.7
69.07074	39.8
70.04971	9.8
71.04993	43.8
73.06542	7.1
79.05496	20.3
80.44901	2.4
81.07059	88.2
83.04979	28.9
83.08614	7.0
85.06570	12.8
87.87955	2.6
91.05473	20.6
93.07048	36.8
95.04987	15.4
95.08609	38.9
97.06535	46.2
97.10165	7.1
98.23333	2.5
99.08102	36.8
101.06020	3.0
105.07032	26.6
107.08598	47.5
109.02888	5.5
109.06516	25.4
109.10160	100.0
111.08087	10.4
113.05994	10.3
115.07587	3.2
115.10143	2.8
117.07059	3.7
119.08586	22.5
121.06490	6.4
121.10147	32.5
122.78165	2.4
123.08067	27.3
123.11708	8.2
125.05980	8.6
125.09626	19.9
127.03944	5.2
127.07538	10.2
127.11203	57.0
129.07013	4.0
131.08571	8.6
133.10124	18.3
135.08060	5.2
135.11690	13.2
137.06030	2.9
137.09622	97.6
137.10672	4.8
137.13226	3.6
139.11180	7.5
142.07759	2.8
143.08571	3.7
145.10121	12.4
147.11653	20.1
149.09636	45.9
149.13237	8.5
149.74730	2.8
151.11185	11.1
153.07001	7.5
153.09108	4.4
154.07703	3.4
155.08580	5.7
155.10664	46.5
157.10091	8.5
159.11702	7.9
161.09634	5.5
161.13319	4.9
163.11188	22.3
165.07047	15.5
165.12746	24.6
167.10692	30.5
171.11574	3.3
173.13214	4.2
175.11148	6.2
175.14842	10.1
177.12593	3.2
177.64621	2.7
179.10733	3.1
181.06416	3.4
181.12241	4.9
182.07289	3.1
183.08043	5.9
185.11787	4.9
187.14873	6.2
189.16425	7.1
189.70016	2.4
193.06439	2.8
193.15862	5.9
195.17519	2.8
199.13202	3.5
199.14868	8.0
204.90285	3.1
205.15900	9.7
211.07552	11.6
217.15822	16.6
221.05991	6.4
223.16953	29.5
225.05371	4.6
231.51387	2.9
235.16913	45.1
245.44919	3.1
253.17979	32.6
271.06042	12.2
271.09619	28.5
271.18988	40.4
271.23917	3.1
272.19498	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	271.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	7.9
55.05254	6.9
55.05508	100.0
57.07065	6.2
57.49433	4.2
67.05502	32.3
69.03409	11.9
69.07067	59.8
69.62886	20.9
71.08601	3.8
73.17387	3.4
78.76102	3.7
79.05500	20.0
81.07045	46.5
83.04969	4.1
83.08613	88.6
84.08119	4.6
85.06537	4.4
91.05502	21.4
93.07036	13.7
95.08603	39.1
97.06539	7.5
97.10164	58.9
105.07021	9.6
107.08609	17.9
109.06515	6.2
109.10156	20.8
111.08070	20.9
111.11702	13.2
112.07594	50.1
115.07546	4.0
119.04964	5.8
119.08570	16.3
121.10104	17.6
125.09641	20.3
129.09143	18.0
131.08540	4.3
133.10147	18.0
135.11678	14.5
139.11165	6.9
141.07054	5.1
147.11697	8.7
149.13307	4.1
152.06232	5.5
153.06995	14.7
153.12785	3.7
154.07779	7.5
155.08534	11.5
159.08069	7.7
161.13231	9.8
165.06963	45.6
168.05620	4.7
169.06441	6.0
173.15701	3.7
175.09660	4.9
179.14333	3.6
181.06454	12.6
183.08012	21.6
189.11214	12.5
195.32471	3.8
196.53523	3.7
196.75587	3.5
211.07527	23.0
212.08032	4.3
217.19519	19.7
221.05902	8.3
235.16891	4.9
235.20505	15.2
239.06914	7.3
243.10088	5.3
253.04976	4.8
253.17929	6.9
253.21553	6.7
254.15689	38.1
271.06097	11.8
271.09576	55.5
271.16837	6.2
271.20569	5.4
272.10309	4.4
272.16940	8.1
272.25778	8.9
279.32458	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	271.2417
Annotation	Axerophthene
Peak:m/z	Relative Intensity
51.70829	0.6
55.05503	7.7
57.07072	3.5
63.25061	0.8
65.03941	0.9
66.57751	0.7
67.05152	1.1
67.05494	13.6
69.07059	17.6
69.07433	1.0
71.08620	1.7
73.99944	0.6
79.05476	6.8
81.07047	26.7
83.04964	1.3
83.08614	7.9
83.82990	0.8
91.05455	6.3
93.07035	15.2
95.08023	1.3
95.08598	25.3
97.10158	2.7
98.23380	1.0
105.07018	19.7
107.08587	20.9
109.09413	1.2
109.10146	21.3
111.11713	1.4
117.06994	2.5
119.08570	25.1
121.10130	16.0
123.11694	12.7
129.07053	0.8
130.07828	1.1
131.08551	9.2
133.09166	1.1
133.10117	16.6
135.11691	10.8
137.13225	3.4
143.08525	1.7
144.09279	2.0
145.10109	15.0
146.10802	1.0
147.11668	22.8
147.12860	1.2
149.09630	1.5
149.13223	10.6
157.10146	1.8
159.08093	0.9
159.11676	20.9
161.13235	17.2
163.14799	7.0
169.10011	0.9
171.11633	0.8
173.13243	13.5
174.13971	0.8
175.14803	11.1
177.16364	1.7
181.50609	0.8
183.11708	1.4
185.13203	1.6
187.11221	0.8
187.14784	10.1
189.16351	14.7
197.05928	1.1
197.13197	1.3
201.16353	19.8
202.16937	1.4
203.17964	2.0
211.07617	1.0
211.14824	1.1
213.16327	1.7
215.14433	1.7
215.17918	18.7
228.18732	1.1
229.19496	4.8
243.20915	1.9
253.19476	2.0
265.49634	0.8
271.06021	2.5
271.09659	1.9
271.20587	16.1
271.24149	100.0
272.21381	1.1
272.24518	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	272.1129
Annotation	Deidaclin
Peak:m/z	Relative Intensity
52.29401	0.3
53.03946	0.3
55.01863	0.5
55.05508	0.4
56.05026	0.4
56.96287	0.5
56.96563	8.9
57.03418	1.0
60.05629	0.5
61.02937	1.8
65.03941	3.9
67.05493	0.4
69.03425	3.4
70.06586	3.4
71.01352	0.4
71.04990	0.5
71.30270	0.4
71.95257	0.7
72.08148	1.6
72.96054	0.4
73.02913	1.2
74.97590	0.3
79.05479	0.4
80.05000	0.6
81.03414	1.5
81.07047	1.0
83.06094	1.3
84.04509	0.4
84.08128	1.0
84.96037	2.3
85.02904	9.2
86.09709	1.2
87.04455	1.0
91.03956	0.5
92.05002	35.8
93.04522	0.6
93.05329	0.4
93.05801	3.4
94.06565	5.5
95.06094	1.5
96.08123	1.1
97.02885	3.4
97.07622	1.0
98.09662	0.6
98.97581	15.6
99.04456	0.6
101.00919	0.6
109.02885	0.9
110.06041	100.0
110.07124	8.6
110.97583	0.3
111.05624	0.5
111.06367	1.7
112.08720	0.7
114.10309	1.9
115.00676	0.5
116.07076	0.6
116.98623	10.9
119.01898	1.4
120.02040	0.3
124.99113	1.1
126.12795	7.4
127.03913	1.7
128.98647	0.4
130.09743	0.3
131.01915	0.6
134.99655	4.6
140.98528	0.3
141.03339	0.3
142.01747	1.0
143.00159	2.7
143.04916	0.5
144.98062	0.6
145.04982	0.9
152.07048	1.8
153.00711	0.7
153.01888	0.3
156.07701	1.7
158.99736	0.6
160.02873	0.5
161.01227	3.4
161.02615	0.4
163.12328	1.1
166.02936	1.2
168.04445	0.3
168.14977	0.3
169.02866	0.6
170.06029	1.6
171.04471	1.2
173.02933	0.4
174.97682	1.3
175.11888	0.9
175.97852	0.3
177.00829	1.6
179.00745	2.0
179.02142	0.4
180.00665	0.3
184.04008	1.0
185.17607	2.5
186.05573	0.5
186.09782	0.3
186.99037	0.4
187.04614	0.3
187.08728	0.4
188.07123	1.0
189.00749	0.5
189.05537	1.1
192.98846	0.6
203.02419	0.3
204.02675	0.3
205.00325	1.2
205.02199	0.6
207.06503	0.4
208.14500	1.2
212.02220	0.4
213.06609	1.2
214.05029	0.6
215.03955	0.4
217.98875	0.5
219.02028	1.9
220.02133	0.5
221.01939	0.9
223.01335	1.3
226.09241	0.3
226.15587	2.0
229.16681	1.1
230.03271	0.6
231.07681	5.0
232.06110	0.6
232.10233	0.6
236.09418	0.3
244.10405	0.8
248.99161	3.3
249.01395	5.5
249.08676	1.7
254.10341	1.6
254.14981	1.5
255.07668	0.6
258.99905	0.7
263.02896	0.3
265.90598	0.3
267.00266	2.1
267.02893	0.4
271.94199	0.6
272.11346	16.2
272.15906	7.7
273.06528	0.5
273.09320	3.9
277.01068	0.4
289.95004	3.6
290.06247	0.3
290.10754	0.4
290.94861	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04663	0.4
54.40285	0.3
59.22438	0.2
65.03931	0.6
67.01863	3.6
67.05492	0.5
68.99767	2.4
69.03407	1.0
69.13283	2.3
81.03402	0.5
83.01309	0.5
83.04984	0.3
91.05468	6.9
95.04950	2.2
96.21884	0.2
97.02863	0.8
98.97567	0.7
107.04929	3.2
111.00781	0.9
111.04440	0.4
115.05473	0.4
116.98660	0.4
119.04929	16.8
120.05259	0.4
121.02832	0.8
121.06506	0.8
123.04414	8.9
125.02388	0.3
127.03963	0.4
135.04356	0.3
145.10149	0.3
147.04387	45.6
148.04745	0.9
149.05949	0.4
151.03891	0.9
153.01807	100.0
154.02130	1.9
161.05971	0.4
163.07533	0.4
165.07071	0.3
171.02902	4.5
171.04308	0.6
171.07974	0.3
179.03333	0.9
181.06433	0.8
189.05467	1.3
193.06183	0.2
213.05458	0.3
213.09123	0.4
227.03162	0.3
227.06976	0.3
231.06499	0.5
231.66821	0.3
245.04408	0.6
245.07924	0.4
255.06525	1.3
273.07529	79.5
274.07846	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	273.0756
Annotation	Hydramacrophyllol B
Peak:m/z	Relative Intensity
50.01600	0.1
51.02382	0.3
53.03945	0.4
55.01863	0.6
55.05497	0.1
60.53154	0.1
61.95997	0.1
65.03926	0.4
67.01842	0.1
67.05502	2.1
68.99771	0.4
69.03444	0.2
69.42739	0.3
69.43166	0.3
71.04976	0.1
77.03922	0.7
79.05470	0.2
81.03407	0.3
81.07060	0.1
83.04977	0.5
85.02931	0.1
91.05476	0.4
93.03383	0.2
93.07048	0.1
95.04965	3.5
98.22637	0.2
98.97581	0.3
99.04430	0.1
103.14366	0.1
105.03382	1.1
105.04500	0.2
105.07030	0.2
107.04955	1.0
109.02906	0.1
111.00815	0.2
111.04427	0.5
115.05464	0.3
116.98627	0.3
117.07008	0.2
119.04928	0.8
119.08562	0.1
121.02866	0.1
121.06506	0.1
123.04422	100.0
124.04746	1.8
127.03861	0.1
128.06223	0.3
129.07053	0.2
131.04903	0.2
133.06508	0.2
133.10222	0.1
134.99684	0.1
135.04430	0.3
137.02391	0.3
137.05956	0.3
139.03908	0.4
139.05437	0.2
141.06976	0.3
143.08549	0.1
145.06505	0.2
145.10144	0.1
147.04387	0.6
149.02365	0.6
149.05927	0.5
151.03899	0.1
151.07518	0.1
152.06287	0.2
153.01813	0.3
153.05573	0.2
153.06976	0.4
154.07755	0.1
155.04913	0.2
157.06477	0.4
160.05231	0.1
161.05989	0.2
163.03903	0.3
163.07501	0.1
164.04680	1.8
165.05423	0.1
167.03491	0.1
167.04857	0.1
167.08530	0.1
168.05698	0.2
169.06441	0.5
171.03029	0.1
171.04437	0.3
171.08014	0.2
173.05980	0.1
174.06708	0.2
175.07567	0.3
177.09146	0.2
181.06416	0.5
183.04370	0.2
184.05194	0.4
185.05939	0.4
185.09593	0.2
186.06773	0.1
187.07532	0.1
189.05473	0.3
189.09172	0.1
195.08038	0.2
197.05939	0.5
198.06723	0.2
199.03857	0.3
199.07539	0.4
201.09073	0.2
202.06160	0.2
209.05812	0.1
212.04623	0.8
213.05463	0.7
213.09135	0.4
214.06097	0.2
215.06995	0.3
217.01268	0.1
217.08614	0.4
225.05327	0.1
227.03432	0.2
227.07005	2.4
227.10693	0.2
229.04858	0.3
229.08618	0.1
230.05540	0.1
240.04144	0.3
241.04932	0.3
241.08499	0.3
242.05673	1.3
245.08080	28.9
246.08463	1.0
255.06490	2.1
255.09346	0.1
258.05182	1.4
273.07544	21.4
273.10660	0.8
274.07895	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0754
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
50.04663	0.4
54.40285	0.3
59.22438	0.2
65.03931	0.6
67.01863	3.6
67.05492	0.5
68.99767	2.4
69.03407	1.0
69.13283	2.3
81.03402	0.5
83.01309	0.5
83.04984	0.3
91.05468	6.9
95.04950	2.2
96.21884	0.2
97.02863	0.8
98.97567	0.7
107.04929	3.2
111.00781	0.9
111.04440	0.4
115.05473	0.4
116.98660	0.4
119.04929	16.8
120.05259	0.4
121.02832	0.8
121.06506	0.8
123.04414	8.9
125.02388	0.3
127.03963	0.4
135.04356	0.3
145.10149	0.3
147.04387	45.6
148.04745	0.9
149.05949	0.4
151.03891	0.9
153.01807	100.0
154.02130	1.9
161.05971	0.4
163.07533	0.4
165.07071	0.3
171.02902	4.5
171.04308	0.6
171.07974	0.3
179.03333	0.9
181.06433	0.8
189.05467	1.3
193.06183	0.2
213.05458	0.3
213.09123	0.4
227.03162	0.3
227.06976	0.3
231.06499	0.5
231.66821	0.3
245.04408	0.6
245.07924	0.4
255.06525	1.3
273.07529	79.5
274.07846	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	273.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.6
55.01873	12.2
56.96556	4.9
57.03438	22.0
61.02931	25.2
63.57782	1.7
68.98294	2.3
69.03072	2.6
69.03431	47.7
70.06587	7.8
71.04978	5.9
71.26873	3.4
72.08150	3.8
73.02919	48.7
81.03409	16.4
82.99864	2.7
84.08128	2.1
85.02905	100.0
87.04465	3.2
88.02669	3.3
91.03957	9.3
93.01904	2.6
94.02711	1.8
97.02893	46.3
97.07625	2.3
98.97571	5.7
99.04443	9.3
100.02626	3.8
101.00883	19.6
101.02408	2.9
102.02383	2.6
108.02438	2.7
109.02827	8.6
111.02926	5.8
111.06325	2.0
113.00862	7.0
114.02389	3.1
114.10274	6.7
115.03927	2.6
119.01912	19.7
120.02119	2.8
123.02920	4.9
125.00714	1.6
126.12786	30.6
127.02384	4.1
127.03917	36.1
129.02921	5.1
130.09731	2.0
131.01878	14.6
132.03409	6.3
135.02899	4.3
138.03439	10.0
138.53539	3.3
139.02446	3.5
143.01898	95.6
144.02054	7.7
144.03410	6.5
144.10176	12.9
145.01685	3.1
145.03458	7.9
145.04979	18.6
146.08089	1.8
147.01463	1.9
147.03944	12.6
151.92816	1.8
153.03961	13.1
155.01884	43.7
156.02052	4.3
157.01648	2.2
157.03477	5.7
159.03998	2.1
161.02950	63.7
162.03139	6.0
162.04485	4.5
162.54572	2.0
165.03920	6.4
167.01888	9.7
169.03424	3.1
173.02972	52.9
174.03159	4.2
174.04503	30.8
174.54640	5.8
175.02556	1.8
175.04510	3.4
176.93379	2.2
183.05031	44.4
183.55174	11.4
185.02951	28.2
185.17648	10.1
186.03093	3.2
187.03696	20.9
191.03972	7.2
192.05574	25.5
192.55708	6.0
197.02977	5.6
203.02130	3.5
203.04022	59.9
204.04135	4.9
205.03827	1.6
215.03873	7.7
221.05093	13.9
227.04018	6.1
229.16548	3.3
233.05074	11.9
239.06111	4.7
242.05287	2.2
245.05144	22.4
246.05257	3.3
249.02878	2.0
257.04974	2.6
263.06128	48.6
264.06067	4.3
273.08887	2.5
273.18884	1.9
274.10574	20.1
275.06003	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	273.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90889	1.8
53.03941	3.8
55.01876	10.9
56.96562	3.5
57.03436	24.6
59.79052	1.8
60.05627	2.6
61.02922	24.2
69.03428	47.9
70.06581	14.8
70.27663	4.0
70.27991	3.9
70.99847	2.4
71.05005	5.0
72.08152	5.0
73.02918	46.5
81.03421	13.7
82.04317	1.9
82.99866	3.8
83.01346	1.9
84.08153	2.9
85.02901	100.0
86.03263	4.4
87.04470	6.9
89.92709	1.6
91.03960	7.6
93.01926	2.8
95.23610	2.0
97.02896	48.8
97.03487	3.5
97.07668	2.4
98.97588	4.3
99.04456	8.5
100.02685	2.5
101.00884	17.3
101.01506	2.7
101.02381	2.6
102.02425	5.8
103.52540	2.1
109.02851	10.5
111.02962	4.5
113.00873	6.9
114.02456	2.0
114.10314	7.9
115.02442	2.3
115.03924	2.7
117.02883	2.6
119.01936	17.4
123.02930	6.5
123.04597	1.7
126.12794	31.4
127.02441	2.8
127.03913	38.7
129.03003	3.3
130.09775	3.2
131.01929	14.9
132.03438	6.4
133.03365	2.6
134.99725	1.9
136.51106	2.2
138.03430	10.2
143.01898	92.0
144.02107	9.6
144.03467	7.5
144.10201	18.2
145.01703	2.3
145.03444	10.1
145.04958	20.9
147.03981	12.8
150.03525	2.0
153.03929	15.3
155.01898	45.2
156.02092	6.3
156.04547	2.4
157.03471	7.3
161.02953	68.1
162.03149	6.7
162.04515	8.9
162.54649	2.7
163.02742	3.0
165.03992	4.6
167.01961	8.2
169.03508	2.1
171.05154	3.4
173.02953	55.5
174.03055	5.7
174.04453	25.9
174.54556	6.6
175.04408	3.0
175.11998	2.0
183.05025	56.1
183.55104	8.4
184.04846	3.0
185.02983	24.9
185.17648	9.5
186.03152	2.8
187.03630	21.1
191.04065	7.2
192.05571	26.9
192.55731	4.9
196.91661	2.2
197.03036	5.0
203.02155	3.3
203.04012	52.5
204.04172	8.1
215.03911	7.2
221.04996	12.7
224.95845	2.2
227.04005	4.4
229.16681	3.9
233.05084	12.8
234.05174	2.9
239.06096	3.7
245.05084	22.4
246.05388	3.4
249.02486	1.9
263.06119	46.8
264.06390	4.5
273.04599	3.1
274.10501	23.1
275.03525	2.0
275.06067	11.2
276.06235	2.8
293.07227	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96284	2.1
56.96560	25.5
69.03412	1.2
70.06590	14.8
70.50557	3.6
72.08142	2.1
72.96020	2.7
74.97594	1.9
83.97620	4.1
84.08152	1.3
86.09702	3.7
88.67951	1.1
94.98402	1.0
98.97584	23.8
98.98222	1.3
101.00880	1.4
109.99209	1.9
112.00700	1.1
114.02273	2.6
114.10267	1.3
116.98620	12.7
119.01921	3.4
126.02333	1.7
126.12785	7.4
126.40226	1.1
130.09773	1.9
132.69176	1.2
134.99654	3.5
139.01750	1.4
141.03351	6.5
143.04904	9.2
144.03308	1.6
144.10202	11.3
146.69157	1.2
150.03366	2.8
151.01654	1.4
153.03366	2.0
154.01810	4.0
159.04425	2.2
160.02808	2.1
161.05948	2.8
166.02872	18.6
168.04446	6.8
169.02821	6.6
169.07559	1.1
170.06007	33.4
171.04405	30.1
172.02786	3.5
177.00934	9.6
178.01149	1.5
184.03951	8.1
184.47815	1.2
185.07121	1.2
185.17693	3.2
186.05560	2.6
186.09753	2.7
187.03946	2.9
187.08713	8.0
188.07071	26.3
189.05441	24.7
190.03864	5.3
195.05544	2.1
197.02422	1.5
205.09666	2.1
207.06502	11.4
208.04910	2.7
213.05035	2.5
213.06891	21.9
214.05238	8.8
214.07042	2.1
214.09187	3.4
215.13902	1.3
219.02010	19.1
231.07703	100.0
232.06137	13.5
232.08255	2.4
232.10147	7.0
248.99277	2.1
249.08727	34.0
249.96237	3.6
254.09125	4.1
255.07600	10.0
273.08728	7.8
273.15723	1.7
290.94745	1.9
291.00525	1.2
291.11072	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0967
Annotation	Arbutin
Peak:m/z	Relative Intensity
53.03947	3.4
55.01876	2.8
55.05255	0.9
55.05511	15.5
57.03438	6.3
59.04998	0.6
59.99390	0.5
61.02924	0.6
65.03938	1.1
67.05501	2.0
68.99412	0.4
68.99791	0.7
69.03430	14.9
69.07070	0.8
69.44964	1.6
69.45380	1.8
71.01345	1.9
71.04992	11.5
73.02908	1.0
75.04482	1.3
75.64586	0.4
79.05486	1.7
81.03415	10.2
81.07069	1.5
82.82335	0.5
83.04980	100.0
84.05309	1.3
85.02901	23.0
85.06516	1.0
87.04456	1.2
91.05489	2.2
93.07034	2.1
95.04961	3.5
95.08640	1.3
97.02890	25.7
97.06538	1.0
98.97581	0.5
99.04454	7.3
101.06033	2.9
103.05454	0.8
105.03405	1.7
105.07027	1.6
107.04974	2.2
107.08591	0.8
109.02882	5.8
109.06509	0.8
111.00806	0.5
111.04443	31.0
113.02372	0.7
113.06010	1.0
117.07021	0.6
119.04948	1.3
119.08630	0.7
121.02883	0.7
121.06513	2.1
123.04435	5.0
125.02348	1.1
125.05984	1.2
127.03918	13.0
129.05487	8.7
131.08580	0.7
133.06535	0.8
133.10143	1.6
135.04420	1.4
135.08043	1.0
137.05991	1.3
139.03931	0.8
141.05484	1.7
143.03401	0.6
145.04947	1.2
145.10097	0.5
147.04366	0.9
147.06522	0.9
147.08093	0.5
149.05992	2.3
151.03938	1.8
151.07495	0.7
151.11206	0.9
153.01840	5.7
153.02934	0.8
153.05460	5.3
153.06772	0.8
157.06445	0.7
161.06020	1.3
163.03915	2.3
163.07565	0.9
165.05470	0.6
167.03468	0.6
167.07013	1.4
167.08472	0.5
169.04982	2.0
173.13318	0.6
175.07568	0.6
177.05507	0.7
181.05031	0.9
181.06558	2.0
181.08572	4.3
183.06544	0.6
184.07332	3.1
185.05936	0.5
189.05521	1.3
191.07021	0.5
193.04941	0.6
195.02884	2.4
195.06573	0.7
197.06047	0.5
199.04071	0.7
199.05939	0.7
199.07909	0.6
199.09703	2.2
203.06972	0.6
205.04929	1.1
207.06448	0.7
213.09157	0.7
219.06563	0.8
219.17531	0.6
225.07765	0.5
227.07094	1.1
227.09084	0.7
231.06709	1.1
241.08714	0.9
245.08099	5.8
255.06647	0.9
255.08713	3.5
273.03888	1.2
273.07550	5.8
273.12247	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.4
55.01876	2.8
55.05255	0.9
55.05511	15.5
57.03438	6.3
59.04998	0.6
59.99390	0.5
61.02924	0.6
65.03938	1.1
67.05501	2.0
68.99412	0.4
68.99791	0.7
69.03430	14.9
69.07070	0.8
69.44964	1.6
69.45380	1.8
71.01345	1.9
71.04992	11.5
73.02908	1.0
75.04482	1.3
75.64586	0.4
79.05486	1.7
81.03415	10.2
81.07069	1.5
82.82335	0.5
83.04980	100.0
84.05309	1.3
85.02901	23.0
85.06516	1.0
87.04456	1.2
91.05489	2.2
93.07034	2.1
95.04961	3.5
95.08640	1.3
97.02890	25.7
97.06538	1.0
98.97581	0.5
99.04454	7.3
101.06033	2.9
103.05454	0.8
105.03405	1.7
105.07027	1.6
107.04974	2.2
107.08591	0.8
109.02882	5.8
109.06509	0.8
111.00806	0.5
111.04443	31.0
113.02372	0.7
113.06010	1.0
117.07021	0.6
119.04948	1.3
119.08630	0.7
121.02883	0.7
121.06513	2.1
123.04435	5.0
125.02348	1.1
125.05984	1.2
127.03918	13.0
129.05487	8.7
131.08580	0.7
133.06535	0.8
133.10143	1.6
135.04420	1.4
135.08043	1.0
137.05991	1.3
139.03931	0.8
141.05484	1.7
143.03401	0.6
145.04947	1.2
145.10097	0.5
147.04366	0.9
147.06522	0.9
147.08093	0.5
149.05992	2.3
151.03938	1.8
151.07495	0.7
151.11206	0.9
153.01840	5.7
153.02934	0.8
153.05460	5.3
153.06772	0.8
157.06445	0.7
161.06020	1.3
163.03915	2.3
163.07565	0.9
165.05470	0.6
167.03468	0.6
167.07013	1.4
167.08472	0.5
169.04982	2.0
173.13318	0.6
175.07568	0.6
177.05507	0.7
181.05031	0.9
181.06558	2.0
181.08572	4.3
183.06544	0.6
184.07332	3.1
185.05936	0.5
189.05521	1.3
191.07021	0.5
193.04941	0.6
195.02884	2.4
195.06573	0.7
197.06047	0.5
199.04071	0.7
199.05939	0.7
199.07909	0.6
199.09703	2.2
203.06972	0.6
205.04929	1.1
207.06448	0.7
213.09157	0.7
219.06563	0.8
219.17531	0.6
225.07765	0.5
227.07094	1.1
227.09084	0.7
231.06709	1.1
241.08714	0.9
245.08099	5.8
255.06647	0.9
255.08713	3.5
273.03888	1.2
273.07550	5.8
273.12247	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1119
Annotation	Erianthridin
Peak:m/z	Relative Intensity
54.84700	0.3
55.01854	0.5
60.94480	0.3
62.41125	0.5
67.01852	0.9
68.99796	3.1
69.03415	1.5
69.20394	2.7
70.44681	0.3
73.04041	0.3
79.05468	0.4
79.49341	0.3
84.35915	0.3
85.02900	1.9
91.05479	1.9
97.24806	0.4
98.22578	0.7
98.97608	0.3
102.81793	0.4
103.05452	0.8
105.07003	0.4
107.04941	4.5
109.02842	0.7
109.53198	0.4
109.59390	0.3
115.05428	1.2
116.98617	0.4
117.07015	1.7
119.04926	2.9
121.06476	0.6
123.04401	1.4
124.54697	0.3
128.06212	0.5
129.06969	0.7
131.04912	2.8
131.08533	0.9
132.47342	0.3
133.06468	0.5
133.29666	0.3
135.04393	0.8
139.84918	0.3
141.06953	1.2
143.04779	0.4
144.05698	1.0
145.06477	4.2
145.10013	0.4
147.04396	17.3
148.04770	0.4
153.06955	1.7
155.05997	1.2
155.08553	0.9
157.06480	3.2
159.08025	1.1
161.05949	0.8
165.06972	2.2
168.05629	0.8
169.06458	1.3
171.04343	4.1
171.05579	0.6
181.06412	0.8
183.08067	1.1
185.05937	1.2
187.07510	0.8
189.05411	3.3
198.06708	0.4
201.09125	0.5
213.05426	0.7
227.10789	0.4
228.07901	1.7
229.08583	72.4
230.08896	2.6
241.08640	0.4
255.10144	10.2
256.10620	0.4
260.54752	0.3
273.11188	100.0
274.11548	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.112
Annotation	Erianthridin
Peak:m/z	Relative Intensity
55.01861	1.3
55.05513	0.6
62.41131	0.7
67.01852	1.2
67.05491	1.0
68.99786	5.5
69.03433	1.4
71.36088	1.0
79.03507	0.6
79.05496	1.6
81.07055	0.8
83.04963	2.0
84.90147	0.6
85.02892	2.6
91.05484	4.0
93.07044	0.9
95.04966	1.2
95.08618	1.0
96.85945	0.6
97.02895	0.9
98.97562	1.5
103.05425	1.3
105.07029	1.2
107.04964	4.6
109.02868	1.2
109.06471	0.5
110.95334	0.5
111.04404	1.6
115.05434	1.4
116.98615	1.6
117.07022	3.5
119.04960	4.6
119.08566	1.0
121.02908	0.6
121.06490	2.0
123.04429	7.6
128.06226	2.2
129.06992	2.5
131.04919	2.7
131.08533	1.8
133.02092	0.6
133.06439	0.9
135.04352	1.9
137.05984	0.9
139.03893	1.0
141.06985	2.1
143.04901	0.6
143.08546	1.0
144.05743	0.9
145.06477	4.8
145.10095	1.5
147.04401	18.1
147.11708	0.8
149.05922	2.7
151.07545	0.8
152.06186	1.1
153.01807	1.1
153.05511	0.5
153.06990	4.1
155.06030	1.2
155.08598	1.6
157.06477	14.1
157.07756	0.5
157.10138	0.6
159.08022	0.8
159.11629	0.7
161.06024	1.0
163.03955	1.1
163.57329	0.7
165.06998	2.5
167.08589	0.7
169.01320	0.9
169.06448	1.3
170.07068	0.7
171.04356	4.6
171.05597	0.8
181.06467	3.0
183.07982	1.1
185.05972	3.1
185.09506	0.7
187.07527	1.2
188.23170	0.6
189.05435	2.5
197.05952	0.7
201.09126	1.1
203.03407	0.7
212.08076	0.9
213.05443	20.1
213.08842	1.4
214.06142	1.0
217.04784	0.7
219.02841	2.2
225.58878	0.6
228.07808	1.3
229.08588	70.5
230.08846	2.9
241.08508	2.3
245.04411	3.7
255.06480	0.5
255.07497	0.8
255.10178	10.7
255.17471	1.1
258.05060	1.1
273.03897	20.9
273.07587	14.7
273.11169	100.0
273.18372	4.0
274.04340	0.9
274.08679	0.8
274.11365	4.1
288.06747	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1121
Annotation	Guibourtinidol-7-methyl ether
Peak:m/z	Relative Intensity
50.01589	0.3
51.02388	0.8
53.03950	1.4
55.01868	0.8
60.98018	0.2
63.73185	0.2
63.89521	0.2
65.03938	0.5
67.05503	1.6
71.17205	0.4
77.03923	1.2
79.05493	1.4
81.03403	0.6
81.07040	1.1
81.39158	0.2
91.05484	4.4
93.07049	4.6
94.04182	1.6
95.04354	0.3
95.04968	5.7
95.08657	0.2
102.04661	0.4
103.05467	100.0
104.05766	2.3
105.03371	0.8
105.04541	1.2
105.07034	1.8
107.04954	4.4
107.08598	0.3
109.02855	0.4
109.06507	1.9
110.03674	0.4
111.04403	0.2
115.05427	0.3
117.06989	1.4
119.04929	0.9
120.05723	0.8
121.06506	23.6
122.03646	3.3
122.06827	0.7
123.04429	36.5
124.04745	0.6
125.05981	0.5
129.07031	0.2
131.04926	63.2
132.05196	1.3
133.06485	0.4
134.03654	0.2
135.04424	0.9
135.08063	3.8
137.05975	31.6
138.06316	0.6
145.03946	0.2
145.06459	1.7
147.04408	1.6
147.08058	0.4
148.03911	0.3
148.05188	23.5
149.05977	72.1
150.06329	1.5
151.07574	1.3
152.06213	1.5
153.06931	0.3
159.05522	1.0
161.06046	0.3
163.07539	29.6
164.08339	7.5
165.06978	0.6
166.07785	0.6
167.08566	3.0
169.06525	1.1
171.07953	0.3
176.06244	0.2
177.07036	0.6
181.06569	0.3
182.01570	0.3
185.05972	0.2
187.07440	0.3
194.07286	0.3
195.08037	5.2
196.08440	0.3
197.05940	1.6
198.06725	1.0
199.07573	0.3
207.04500	0.2
209.09619	0.4
212.08328	0.5
213.09128	1.9
215.07013	0.3
217.08539	0.4
223.07539	2.7
225.05461	0.7
226.06145	0.5
227.06943	0.3
227.10599	1.1
229.08635	0.3
237.08975	0.3
240.07779	0.5
241.08638	1.9
243.06361	0.7
245.08064	1.0
245.11736	0.5
255.10069	2.0
257.07944	0.9
258.08878	2.8
259.09253	0.3
273.11200	34.3
274.11539	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.7
55.01867	8.9
55.05510	20.3
56.11544	1.2
57.03437	9.4
57.07070	4.4
59.05015	2.4
61.02932	6.9
61.20530	1.1
65.03947	1.4
67.05507	13.8
67.32521	1.1
68.99809	2.5
69.03429	23.2
69.07068	100.0
69.23965	6.9
69.24375	2.7
70.07402	1.5
71.01365	4.2
71.04994	11.1
73.02914	10.6
79.05496	10.0
81.03421	11.9
81.07058	17.5
81.71102	1.2
83.01340	1.6
83.04980	22.7
83.08620	4.4
85.02905	36.1
85.06544	16.3
87.04494	2.9
91.05462	9.0
93.07040	15.7
95.04968	10.0
95.08604	16.0
97.02897	17.5
97.06544	4.0
97.10173	2.5
98.22628	2.1
99.04441	5.9
99.08110	3.5
101.06036	2.0
103.03951	5.6
105.07029	14.3
107.04978	2.8
107.08601	20.5
109.02895	4.1
109.06519	6.3
109.10159	20.7
111.04436	14.7
111.08094	7.1
111.11720	24.3
113.09628	2.4
115.03935	4.8
117.07014	4.2
119.08595	9.8
121.06522	5.5
121.10129	12.5
123.04430	27.5
123.08098	6.5
123.11710	10.6
125.05977	1.5
125.09625	9.8
127.03928	8.7
127.11195	13.3
129.05479	15.1
129.07008	1.7
129.12762	9.1
131.08598	6.5
133.04964	4.5
133.06528	1.3
133.10129	10.9
135.08060	5.3
135.11694	9.4
137.05949	2.7
137.09631	8.6
137.13272	2.4
139.03870	1.3
139.07523	4.2
139.11159	6.5
141.09140	4.0
141.12733	20.8
142.07808	1.4
143.08580	3.1
144.09338	2.0
145.04984	5.0
145.10115	6.3
147.04430	3.3
147.11673	6.5
149.09619	3.8
149.13248	2.0
151.07594	2.4
151.11212	5.7
153.07025	2.3
153.09094	2.1
153.12778	5.0
157.10139	2.8
159.08084	1.6
159.11731	6.6
160.08821	1.4
161.09634	5.9
163.03915	2.6
163.07538	2.2
163.11223	4.7
165.12782	5.0
167.10625	1.2
167.14322	2.1
169.12378	1.4
173.13234	2.3
175.11218	2.4
177.09143	2.5
177.12747	8.2
179.10696	4.3
179.14371	1.2
181.06538	1.5
183.13763	1.7
189.12744	1.7
191.14339	2.1
193.12279	2.5
195.10120	1.4
195.13777	5.8
197.11771	1.8
201.12814	2.9
207.13860	3.6
211.13272	2.0
219.13754	7.9
225.14832	1.3
237.14839	12.1
255.15858	14.4
273.07599	8.3
273.11115	2.3
273.16852	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	273.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.7
55.01867	8.9
55.05510	20.3
56.11544	1.2
57.03437	9.4
57.07070	4.4
59.05015	2.4
61.02932	6.9
61.20530	1.1
65.03947	1.4
67.05507	13.8
67.32521	1.1
68.99809	2.5
69.03429	23.2
69.07068	100.0
69.23965	6.9
69.24375	2.7
70.07402	1.5
71.01365	4.2
71.04994	11.1
73.02914	10.6
79.05496	10.0
81.03421	11.9
81.07058	17.5
81.71102	1.2
83.01340	1.6
83.04980	22.7
83.08620	4.4
85.02905	36.1
85.06544	16.3
87.04494	2.9
91.05462	9.0
93.07040	15.7
95.04968	10.0
95.08604	16.0
97.02897	17.5
97.06544	4.0
97.10173	2.5
98.22628	2.1
99.04441	5.9
99.08110	3.5
101.06036	2.0
103.03951	5.6
105.07029	14.3
107.04978	2.8
107.08601	20.5
109.02895	4.1
109.06519	6.3
109.10159	20.7
111.04436	14.7
111.08094	7.1
111.11720	24.3
113.09628	2.4
115.03935	4.8
117.07014	4.2
119.08595	9.8
121.06522	5.5
121.10129	12.5
123.04430	27.5
123.08098	6.5
123.11710	10.6
125.05977	1.5
125.09625	9.8
127.03928	8.7
127.11195	13.3
129.05479	15.1
129.07008	1.7
129.12762	9.1
131.08598	6.5
133.04964	4.5
133.06528	1.3
133.10129	10.9
135.08060	5.3
135.11694	9.4
137.05949	2.7
137.09631	8.6
137.13272	2.4
139.03870	1.3
139.07523	4.2
139.11159	6.5
141.09140	4.0
141.12733	20.8
142.07808	1.4
143.08580	3.1
144.09338	2.0
145.04984	5.0
145.10115	6.3
147.04430	3.3
147.11673	6.5
149.09619	3.8
149.13248	2.0
151.07594	2.4
151.11212	5.7
153.07025	2.3
153.09094	2.1
153.12778	5.0
157.10139	2.8
159.08084	1.6
159.11731	6.6
160.08821	1.4
161.09634	5.9
163.03915	2.6
163.07538	2.2
163.11223	4.7
165.12782	5.0
167.10625	1.2
167.14322	2.1
169.12378	1.4
173.13234	2.3
175.11218	2.4
177.09143	2.5
177.12747	8.2
179.10696	4.3
179.14371	1.2
181.06538	1.5
183.13763	1.7
189.12744	1.7
191.14339	2.1
193.12279	2.5
195.10120	1.4
195.13777	5.8
197.11771	1.8
201.12814	2.9
207.13860	3.6
211.13272	2.0
219.13754	7.9
225.14832	1.3
237.14839	12.1
255.15858	14.4
273.07599	8.3
273.11115	2.3
273.16852	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	273.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.3
54.44978	0.3
55.01855	0.8
55.86377	0.3
57.03428	1.8
58.06594	1.0
60.05630	1.0
61.02916	1.3
69.03423	3.3
70.06590	7.6
71.04981	2.5
71.32777	0.4
72.08140	0.4
73.02910	3.1
81.03401	0.9
82.99850	0.6
84.08120	1.7
85.02901	9.0
88.49134	0.3
91.03938	0.5
97.02893	3.3
97.47576	0.3
98.03505	0.4
99.04448	0.8
101.00883	1.4
109.02900	0.7
111.02977	0.4
112.08719	3.0
113.00864	0.5
119.01909	1.3
123.02855	0.3
127.03904	2.9
129.02892	0.3
130.09755	13.8
131.01906	1.1
132.03419	0.4
135.02823	0.3
138.03391	0.6
143.01877	6.3
144.02043	0.6
144.10185	100.0
145.04994	1.4
145.10542	1.6
147.03967	0.8
153.03946	1.0
155.01855	3.4
156.02090	0.4
156.97461	0.4
157.01648	0.4
157.03337	0.3
158.05598	0.6
161.02945	5.0
162.03041	0.6
162.04390	0.5
165.03899	0.5
166.12099	0.3
167.01880	0.5
168.07826	0.3
173.02977	3.7
174.03137	0.6
174.04504	1.6
174.54616	0.3
183.05020	4.0
183.55083	0.5
185.02927	2.7
187.03630	3.5
191.04044	0.4
192.05565	2.3
192.55685	0.6
197.02902	0.4
203.03993	4.1
204.04115	0.4
205.03751	0.4
214.08189	0.3
215.03909	0.6
215.14035	0.3
221.05008	0.7
227.03885	0.4
228.09880	0.4
233.05032	1.1
245.05032	2.3
246.05171	0.3
257.05042	0.7
263.06125	3.0
264.06317	0.3
273.11829	1.4
273.19000	0.6
274.10413	4.5
275.06152	0.5
281.53497	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2211
Annotation	3-Oxo-delta4-steroid
Peak:m/z	Relative Intensity
53.19572	2.0
55.05508	21.6
62.31042	2.2
65.29731	2.1
67.05199	2.4
67.05505	24.1
69.07068	17.6
70.05064	8.1
77.00272	2.3
79.05489	28.1
81.07051	49.6
81.65131	2.1
83.04986	3.1
83.08605	6.8
84.75020	2.0
85.00500	2.3
91.05474	36.1
92.77885	2.1
93.07045	31.9
95.04995	2.2
95.08001	3.6
95.08598	50.4
97.10163	24.3
98.97567	5.5
105.07033	35.5
107.08591	28.1
109.06538	2.9
109.10168	28.0
111.04383	2.1
111.08102	4.0
111.11701	11.3
115.05418	2.1
116.98666	5.0
117.07000	32.0
117.35744	2.4
119.08566	25.3
121.06477	7.8
121.10122	18.8
123.04414	6.8
123.11709	13.6
129.07014	10.8
131.08577	42.4
133.10117	21.6
134.99654	4.0
135.04361	2.9
135.11703	17.7
137.09567	2.5
142.07784	2.6
143.08557	16.1
145.10124	30.9
147.04408	3.3
147.11676	19.0
149.05942	2.7
149.13232	11.8
151.07468	3.1
153.01811	4.4
153.06969	5.4
157.10138	12.8
159.10529	2.7
159.11705	31.4
161.09540	5.0
161.13260	14.6
163.11104	2.9
163.14809	7.5
171.11696	12.4
173.13255	34.3
175.14816	6.4
177.12721	5.4
185.13228	15.1
187.14830	5.9
189.12732	2.6
191.14317	17.2
195.07980	3.1
199.14771	18.6
203.14299	7.1
203.18066	3.0
213.09126	4.0
213.16394	9.9
215.17986	6.5
217.15872	2.9
227.17873	11.0
237.16344	2.3
245.22768	3.4
251.17633	2.5
255.21062	82.6
256.21490	4.9
273.03867	3.2
273.07706	6.3
273.11169	4.9
273.15720	2.8
273.18597	13.1
273.22098	100.0
274.22244	3.5
291.16788	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09150	0.9
62.53087	0.7
69.03421	0.9
69.52473	4.1
70.54848	0.7
85.02872	1.4
95.06080	1.9
102.92107	0.8
113.07111	5.0
145.01585	1.1
171.04137	5.1
172.42191	0.7
184.24500	0.7
187.03662	100.0
215.03163	9.4
231.33144	0.8
274.10486	74.2
275.10800	2.3
283.59430	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.105
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23329	0.9
56.09147	0.8
58.99857	1.1
64.85822	0.8
69.03422	2.1
69.05881	5.2
69.06306	2.9
70.06589	1.5
73.30241	0.8
76.34534	0.8
82.48130	0.8
82.99841	1.7
85.02901	2.0
95.06058	1.5
97.02876	1.1
100.02499	2.2
101.00888	9.1
113.07107	6.7
115.02374	1.0
118.03503	3.6
119.01925	26.0
121.70394	0.8
127.02419	1.5
133.03473	0.8
136.04561	2.0
137.02928	5.2
143.01889	2.5
145.03450	10.4
157.03453	2.0
159.05072	5.8
161.02925	1.1
163.04536	1.7
169.03465	7.5
171.01443	1.5
171.04076	5.0
173.02963	2.2
174.03139	1.0
176.07664	1.2
177.06087	1.7
185.02939	3.6
187.03635	100.0
188.04012	1.7
189.02467	3.5
197.03069	1.3
202.05608	0.8
203.04056	1.7
205.05624	1.3
207.03535	1.2
207.54701	0.8
212.03888	1.1
213.02454	2.3
215.03116	7.9
229.05566	3.3
230.05078	1.1
231.03427	2.4
233.01427	2.4
247.06711	1.9
251.02454	2.8
274.10510	84.1
274.27341	1.0
275.02899	1.4
275.06183	8.1
275.10883	3.2
292.05408	0.9
293.03601	4.3
293.06741	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.2738
Annotation	Hexadecasphinganine
Peak:m/z	Relative Intensity
54.67805	0.3
56.33698	0.3
57.07077	8.8
58.06595	0.7
62.06094	0.4
62.12845	0.4
68.05039	0.5
69.49633	1.6
70.06196	0.4
70.06590	13.0
71.08634	4.0
85.10169	0.9
88.07631	16.5
101.94637	0.3
102.09178	5.9
106.08665	8.7
129.61597	0.3
141.89032	0.3
185.65347	0.3
230.24776	0.9
256.26367	6.9
257.20575	0.4
274.27396	100.0
275.27771	4.8
282.75073	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.5
58.99854	0.5
65.03938	1.9
65.57440	0.2
66.78680	0.2
67.05501	3.0
68.98287	0.7
69.03425	1.8
69.51778	0.6
69.52187	0.7
72.68585	0.2
73.89946	0.2
77.00927	0.3
77.10683	0.3
80.64347	0.2
81.03407	0.5
82.99823	5.6
83.04977	2.7
84.08142	0.3
85.01405	0.8
85.02887	0.5
86.99332	1.0
93.03409	2.5
95.04970	3.9
97.01408	0.3
97.02895	2.0
98.97588	0.3
99.02943	0.3
101.00876	45.6
102.00947	1.5
103.02440	1.1
105.00364	0.8
107.03450	0.7
109.01346	3.1
111.02955	0.7
111.04439	2.6
113.00875	1.0
114.05572	0.3
115.02452	1.8
116.26543	0.2
117.03993	0.6
119.01914	75.7
120.02002	2.7
121.02880	7.3
121.03783	0.4
123.02952	0.2
125.04459	1.1
127.02410	23.2
128.02519	0.5
129.04001	2.0
131.01915	1.5
133.03494	1.4
135.02943	0.4
135.46951	0.3
137.02951	10.9
139.02400	2.4
139.03883	2.0
140.65291	0.3
141.03972	1.4
142.03433	0.6
143.01889	5.5
143.05536	2.1
145.03456	57.4
146.03560	2.4
147.01382	1.0
147.05017	0.8
150.04016	0.3
151.02386	3.5
153.03949	3.4
155.01903	1.0
157.03462	13.6
158.03642	0.5
159.05025	2.3
161.00900	0.4
161.02951	8.2
161.04256	0.5
161.06595	0.8
162.03154	0.3
163.04501	3.1
165.02498	0.4
165.03885	0.3
167.01903	3.3
167.05431	0.4
169.03458	73.7
170.03587	2.5
171.01375	2.1
171.05025	12.6
172.05127	0.5
173.02956	0.9
175.04538	3.3
177.03960	0.8
177.74733	0.2
179.01846	2.3
183.05048	1.6
185.02954	30.8
185.06471	2.7
186.03107	1.5
187.04515	85.0
188.04695	3.5
189.02466	2.5
189.06172	1.9
193.03427	1.3
195.01355	0.3
195.05028	5.5
197.02953	16.9
198.03133	0.9
199.04617	0.3
201.06134	0.5
203.01910	0.9
203.03958	6.6
203.07701	0.3
204.04257	0.3
205.05574	10.3
206.05690	0.5
207.03593	0.5
210.06111	1.0
211.04509	6.5
212.04848	0.3
213.02493	1.9
213.06070	4.0
215.04005	16.7
216.04222	1.0
217.05463	0.2
221.02960	5.0
221.04929	0.3
222.03107	0.3
227.03972	0.6
229.05563	48.0
230.05759	2.4
231.03418	3.2
231.07133	0.9
233.05069	0.7
239.04021	3.2
247.06616	26.4
248.06842	1.4
249.04573	2.1
256.22623	0.3
257.05038	5.7
258.05206	0.3
261.65988	0.2
270.08182	0.4
275.06097	100.0
276.06332	5.2
293.07156	16.8
294.07410	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.5
58.99854	0.5
65.03938	1.9
65.57440	0.2
66.78680	0.2
67.05501	3.0
68.98287	0.7
69.03425	1.8
69.51778	0.6
69.52187	0.7
72.68585	0.2
73.89946	0.2
77.00927	0.3
77.10683	0.3
80.64347	0.2
81.03407	0.5
82.99823	5.6
83.04977	2.7
84.08142	0.3
85.01405	0.8
85.02887	0.5
86.99332	1.0
93.03409	2.5
95.04970	3.9
97.01408	0.3
97.02895	2.0
98.97588	0.3
99.02943	0.3
101.00876	45.6
102.00947	1.5
103.02440	1.1
105.00364	0.8
107.03450	0.7
109.01346	3.1
111.02955	0.7
111.04439	2.6
113.00875	1.0
114.05572	0.3
115.02452	1.8
116.26543	0.2
117.03993	0.6
119.01914	75.7
120.02002	2.7
121.02880	7.3
121.03783	0.4
123.02952	0.2
125.04459	1.1
127.02410	23.2
128.02519	0.5
129.04001	2.0
131.01915	1.5
133.03494	1.4
135.02943	0.4
135.46951	0.3
137.02951	10.9
139.02400	2.4
139.03883	2.0
140.65291	0.3
141.03972	1.4
142.03433	0.6
143.01889	5.5
143.05536	2.1
145.03456	57.4
146.03560	2.4
147.01382	1.0
147.05017	0.8
150.04016	0.3
151.02386	3.5
153.03949	3.4
155.01903	1.0
157.03462	13.6
158.03642	0.5
159.05025	2.3
161.00900	0.4
161.02951	8.2
161.04256	0.5
161.06595	0.8
162.03154	0.3
163.04501	3.1
165.02498	0.4
165.03885	0.3
167.01903	3.3
167.05431	0.4
169.03458	73.7
170.03587	2.5
171.01375	2.1
171.05025	12.6
172.05127	0.5
173.02956	0.9
175.04538	3.3
177.03960	0.8
177.74733	0.2
179.01846	2.3
183.05048	1.6
185.02954	30.8
185.06471	2.7
186.03107	1.5
187.04515	85.0
188.04695	3.5
189.02466	2.5
189.06172	1.9
193.03427	1.3
195.01355	0.3
195.05028	5.5
197.02953	16.9
198.03133	0.9
199.04617	0.3
201.06134	0.5
203.01910	0.9
203.03958	6.6
203.07701	0.3
204.04257	0.3
205.05574	10.3
206.05690	0.5
207.03593	0.5
210.06111	1.0
211.04509	6.5
212.04848	0.3
213.02493	1.9
213.06070	4.0
215.04005	16.7
216.04222	1.0
217.05463	0.2
221.02960	5.0
221.04929	0.3
222.03107	0.3
227.03972	0.6
229.05563	48.0
230.05759	2.4
231.03418	3.2
231.07133	0.9
233.05069	0.7
239.04021	3.2
247.06616	26.4
248.06842	1.4
249.04573	2.1
256.22623	0.3
257.05038	5.7
258.05206	0.3
261.65988	0.2
270.08182	0.4
275.06097	100.0
276.06332	5.2
293.07156	16.8
294.07410	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0911
Annotation	delta-Cotonefuran
Peak:m/z	Relative Intensity
52.48269	0.5
53.63948	0.6
55.01867	6.9
56.51376	0.5
67.08519	0.6
68.99786	2.7
69.34326	4.6
78.04747	0.7
79.05476	1.2
81.03408	1.9
91.05470	4.1
93.07043	0.7
93.33980	0.5
95.04967	1.2
103.05457	3.4
105.03382	2.2
105.07027	3.6
107.04939	1.5
115.05439	7.6
116.06223	2.5
117.06995	2.7
118.04119	0.8
119.04931	7.3
121.06483	0.9
123.04445	0.7
128.06218	3.7
129.07030	3.2
130.04085	0.7
131.04932	2.2
131.08562	1.1
133.06471	5.2
141.06972	1.1
143.04929	4.2
144.05661	4.0
145.06425	4.1
146.03639	0.7
147.04391	10.5
149.05959	0.9
153.01773	1.7
154.02213	0.7
155.02336	1.2
155.04893	2.0
155.06029	0.8
156.05667	2.8
157.06473	3.8
158.07263	2.2
159.04384	2.1
159.08034	3.4
159.09203	0.9
160.05188	1.4
161.05971	16.3
163.03906	2.1
168.05804	0.7
169.06378	0.9
171.04398	8.9
172.05161	3.7
173.05942	6.2
174.06752	2.7
175.03932	2.6
175.07524	3.8
177.05464	1.8
178.06245	3.1
184.05165	3.5
185.02332	0.7
185.05960	4.0
186.06686	3.4
187.03903	2.6
187.07520	6.4
188.04655	1.9
188.08313	5.9
189.05449	41.8
189.09087	1.6
190.05913	1.6
191.03357	3.2
191.06981	0.9
191.10568	0.9
197.05830	0.6
199.03885	13.7
200.04596	3.0
201.05458	13.4
202.02620	1.2
202.06247	1.6
203.03445	1.0
203.07030	8.9
204.07794	16.1
205.04942	1.9
205.08452	1.7
206.05743	0.8
213.05429	3.6
214.06235	4.4
215.03432	5.3
215.06956	5.1
216.04214	1.0
216.07791	14.8
217.04941	58.0
217.08463	2.2
218.02104	0.7
218.05290	2.6
219.10147	5.6
221.08051	0.7
227.03400	0.9
229.04956	5.9
231.06544	5.9
232.07278	26.8
233.04376	1.5
233.07761	1.3
242.05659	4.3
243.06465	1.4
244.07298	8.5
245.04437	13.3
246.04843	0.7
247.09639	54.8
248.06821	0.8
248.10005	2.7
257.04639	1.0
259.05936	1.2
260.06833	4.0
275.09116	100.0
276.09460	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	275.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51534	8.8
53.03943	10.3
55.01867	11.6
55.05502	14.9
56.96557	7.7
61.52703	7.0
67.05521	43.5
68.99786	12.9
69.03424	45.3
69.07059	13.0
69.61892	44.4
71.04988	36.4
79.05476	18.0
81.03424	28.5
81.07065	19.2
83.04971	9.8
85.02892	83.6
85.06539	24.2
86.09692	9.1
91.05463	25.0
93.07034	29.0
95.04954	28.8
95.08606	100.0
97.02878	24.2
98.97598	16.8
99.04415	9.9
105.07053	9.7
107.04958	27.6
107.08556	20.5
109.02901	12.6
109.06555	10.2
109.10133	11.8
111.04467	11.5
111.08096	39.9
112.22503	8.0
113.09626	14.4
115.05502	10.1
116.98623	11.5
117.05495	12.2
117.07066	13.7
121.02866	12.9
123.04424	17.7
123.08028	9.4
125.09652	12.8
127.03940	19.2
128.06157	9.7
135.04375	16.8
137.09624	22.4
139.03929	29.0
149.05951	11.3
153.09158	11.3
155.10680	12.7
163.03911	18.4
165.05444	14.5
167.03392	26.9
173.06076	12.4
179.03386	8.9
179.10556	11.6
185.18460	9.1
187.03850	9.9
191.03406	67.9
201.05443	10.4
203.03421	20.5
205.04910	8.5
219.02924	8.3
221.11755	10.2
229.04930	23.5
233.04486	34.6
247.02344	20.7
251.05452	11.2
257.04425	34.6
265.21457	9.4
274.14597	9.3
275.05405	33.4
275.14362	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03609	0.5
53.03949	0.6
55.01881	0.7
55.05511	7.0
57.07075	4.3
65.03924	0.6
66.56878	0.5
67.05164	0.7
67.05502	9.8
69.07063	10.8
70.06583	0.6
71.08620	1.9
71.33093	0.6
79.05487	6.2
81.07056	21.0
83.08613	5.3
85.10180	1.0
91.05481	6.7
93.07044	14.7
93.59489	0.5
95.08602	20.3
95.09213	1.0
97.06559	0.7
97.10182	3.7
99.04431	0.6
105.07031	7.7
107.04957	1.2
107.08588	16.9
109.06516	0.7
109.10154	13.5
110.10501	0.6
111.11707	1.5
115.05441	0.7
117.07028	1.6
119.08563	4.9
121.06446	0.6
121.10139	11.1
123.04354	0.8
123.07990	0.8
123.11704	7.6
129.06917	0.6
131.08543	2.2
133.10104	4.6
135.08034	1.0
135.11682	8.2
137.09586	0.6
137.13264	2.2
143.08560	1.1
145.10118	3.0
147.08018	1.1
147.11693	2.2
149.09726	0.7
149.13254	12.8
151.11243	0.9
151.14803	1.7
155.08543	0.8
157.10086	0.9
159.08084	0.6
159.11676	2.1
160.08600	0.5
161.09605	0.6
161.13263	1.4
163.07524	0.6
163.11150	0.7
163.14807	6.9
165.16405	1.7
173.09595	0.8
173.13251	1.5
177.16444	2.8
179.17987	0.7
187.14880	0.8
191.17978	1.9
199.11125	0.5
201.16403	0.8
205.19496	2.5
211.14845	1.1
215.18002	0.6
219.21033	2.0
229.15909	1.1
229.19565	1.1
237.59435	0.5
247.07338	0.7
247.09647	0.9
257.11789	1.3
257.15289	1.6
257.18988	1.6
257.22632	0.7
275.09351	2.4
275.16165	100.0
275.19873	7.3
275.23737	2.3
275.27298	15.9
276.16483	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.4
55.01863	4.6
55.05521	14.7
57.03441	16.4
58.68497	2.6
59.04998	3.0
64.74151	2.2
67.05502	23.9
69.03426	11.1
69.07072	26.5
70.07404	2.4
70.41977	3.2
70.42307	4.6
71.04994	100.0
73.02907	5.9
79.05489	8.1
80.40398	2.9
81.03429	2.8
81.07057	27.5
83.04972	10.7
83.08606	4.7
85.02904	93.1
85.06540	10.6
87.04465	4.1
89.44135	2.4
91.05476	7.2
93.03432	2.8
93.07050	22.0
95.04971	37.8
95.08624	17.5
97.06513	8.5
98.52893	2.7
99.04525	3.1
105.07024	15.0
106.50479	2.7
107.04922	3.5
107.08594	21.2
109.06517	7.7
109.10145	23.2
111.04444	21.0
111.08087	15.4
111.11722	5.1
113.06097	2.8
113.09653	14.5
119.08610	13.8
119.09327	2.7
121.02941	2.6
121.06497	3.2
121.10123	13.4
123.04449	3.3
123.11680	8.3
125.06032	2.8
125.09642	7.3
127.11166	3.1
129.05473	34.8
131.08556	3.9
133.10118	12.2
135.11696	17.1
137.09619	4.0
137.13295	3.9
139.03897	77.4
139.11176	4.1
140.53003	2.8
141.09053	2.6
143.08498	3.0
145.10139	8.7
147.06500	8.1
147.11716	7.1
149.05933	4.4
149.09602	3.1
149.13326	3.9
151.11194	7.4
153.12778	5.6
157.10049	2.6
159.11702	11.0
159.67203	3.0
161.13298	4.2
163.11163	9.4
165.12776	4.0
175.14905	3.1
177.12801	6.8
181.12276	3.6
183.13809	3.6
185.13263	5.8
195.13890	6.2
203.14297	12.6
221.15359	14.0
227.94554	2.7
239.16422	19.5
257.17484	7.1
275.05911	2.9
275.09116	12.2
275.13544	2.9
275.18555	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	275.2006
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
51.02369	0.6
53.03944	1.4
55.01870	3.7
55.05511	11.9
57.03432	1.6
57.07072	1.4
59.04986	0.5
65.03939	1.6
67.05503	20.2
67.05867	1.0
69.03426	1.5
69.07066	11.5
71.04983	2.8
71.31876	0.8
73.06544	0.6
77.03929	0.8
79.05489	22.4
81.03410	1.0
81.07055	27.6
83.04984	2.8
83.08620	4.6
85.06535	1.6
87.99007	0.4
91.05479	38.8
91.67139	0.4
92.05792	0.9
93.07044	23.7
95.04976	4.4
95.08606	15.6
95.09219	0.6
97.06535	2.9
97.10159	2.0
98.97573	0.5
99.08080	1.1
103.05458	1.6
105.07027	52.0
107.04951	5.0
107.08591	19.1
109.06524	6.3
109.10151	6.0
111.08076	1.8
113.06001	0.6
115.05455	1.6
116.06209	1.1
117.07015	10.8
118.07825	0.8
119.08575	35.3
120.08868	0.5
121.06507	4.2
121.10142	9.7
123.08037	2.7
123.11674	2.9
125.09594	1.4
126.67110	0.4
127.07593	0.8
128.06206	0.8
129.07007	3.5
130.07780	1.1
131.08572	14.9
133.06482	2.7
133.10123	35.5
134.10466	0.9
135.08054	5.0
135.11699	4.0
137.06000	0.5
137.09593	3.4
137.13225	0.7
139.07542	0.6
139.11169	0.7
141.06937	1.5
142.07793	1.1
143.08548	3.0
145.06502	1.1
145.10117	12.9
147.08032	2.9
147.11681	17.3
148.11975	0.6
149.09602	8.0
149.13263	2.2
151.07523	1.1
151.11163	2.2
153.09109	0.5
155.08545	1.9
157.10120	3.3
159.08063	1.1
159.11694	9.9
161.05914	0.7
161.09610	2.5
161.13254	6.5
163.07391	0.5
163.11172	4.8
163.14803	1.2
165.09158	0.8
165.12776	1.5
169.10147	2.2
171.11700	3.4
173.09602	1.4
173.13258	5.6
175.11188	2.1
175.14827	1.7
177.12743	1.8
179.10579	0.5
179.14270	0.7
183.11697	2.8
185.13280	1.5
185.61415	0.5
187.11143	1.5
187.14828	1.7
189.12769	1.3
189.16263	0.5
191.14188	0.6
193.12241	1.4
197.13289	1.7
199.14816	0.6
201.12712	1.5
201.16408	1.0
203.14322	0.8
205.12254	0.5
211.14856	1.3
213.16440	0.9
215.10768	0.6
215.14355	1.0
215.17924	2.0
217.19618	0.6
219.08090	0.6
219.13828	0.8
229.15862	1.2
229.19514	3.4
233.15381	1.1
233.18958	1.4
239.17961	5.3
242.13792	0.5
247.07571	0.9
247.16801	0.6
247.20602	3.8
257.15332	1.0
257.18979	10.1
257.21948	0.7
257.22855	0.8
274.97592	0.5
275.09293	1.3
275.16611	3.1
275.20053	100.0
276.20377	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2006
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03953	1.7
55.01870	3.5
55.05508	11.7
57.03428	2.0
57.07077	1.4
65.03950	0.7
67.05161	1.4
67.05500	19.8
67.05862	1.0
69.03412	1.1
69.07067	10.4
69.19496	4.7
71.04976	3.1
79.05041	1.4
79.05491	22.7
81.03400	1.1
81.07054	29.5
83.04971	2.9
83.08612	5.0
83.37055	0.6
83.75600	0.6
85.06535	1.9
91.05476	39.3
92.05814	0.9
93.07043	22.5
95.04949	3.7
95.08601	15.6
97.06519	2.2
97.10149	1.3
99.08089	0.9
103.05467	1.3
105.04520	1.0
105.07026	51.0
107.04952	4.5
107.08590	17.4
109.06520	6.6
109.10159	8.3
111.08067	1.8
115.05427	1.6
117.07011	11.2
119.08577	34.2
121.06502	4.8
121.10133	11.3
123.08058	3.7
123.11684	2.8
125.09604	1.6
128.06239	1.5
129.07018	3.1
130.07822	0.9
131.08563	15.0
131.09499	0.5
132.09302	0.7
133.06448	1.2
133.10126	32.8
133.11154	1.6
134.10480	0.9
135.08063	5.7
135.11682	5.2
137.09608	3.7
137.13283	0.7
139.11143	1.2
141.06979	1.9
143.08566	2.8
145.10112	15.1
147.08035	1.8
147.11681	17.2
149.09592	8.6
149.13249	2.5
151.11153	3.2
153.09106	0.9
155.08577	1.9
157.10124	3.4
159.08083	1.3
159.11693	11.8
161.09607	2.3
161.13277	7.4
163.11195	4.3
163.14813	0.9
165.09081	1.3
165.12831	0.8
169.10130	1.8
171.11746	3.5
173.09579	1.2
173.13264	5.5
175.11177	2.9
175.14813	1.4
177.12732	2.5
183.11707	2.4
185.13277	2.0
187.11176	1.8
187.14815	1.7
187.37950	0.6
189.09128	0.7
189.12732	1.4
191.10559	0.9
191.14363	0.9
193.12198	1.5
195.51021	0.7
197.13254	2.4
199.14763	1.1
201.09081	0.9
201.12772	1.2
201.16428	1.0
203.14362	0.8
205.12311	0.8
205.15872	1.0
211.14775	0.8
215.10704	0.8
215.14246	1.1
215.17915	2.0
217.15910	0.8
219.13795	1.1
229.16020	1.2
229.19551	3.3
233.15434	1.4
233.18987	1.1
239.17938	4.5
247.07640	1.3
247.20508	4.0
257.15311	1.4
257.18994	9.0
271.45361	0.6
275.09207	2.0
275.12878	2.0
275.16547	5.3
275.20044	100.0
276.20270	4.1
279.48312	0.6
283.36401	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2006
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03935	2.8
55.01852	3.7
55.05514	15.9
56.05828	0.9
58.06001	0.7
58.23190	0.7
58.71703	0.8
61.35387	1.0
65.03936	1.2
67.05170	1.5
67.05505	23.0
68.60238	0.8
69.03409	1.2
69.07066	12.3
69.79831	2.2
69.80226	1.5
71.04991	2.2
77.03913	1.3
79.05052	1.6
79.05494	24.3
81.07056	23.6
82.50110	0.8
83.04980	4.3
83.08617	7.4
83.51588	0.8
85.06536	2.2
91.05479	39.0
93.07043	21.8
95.04995	4.0
95.08605	16.0
97.06532	3.8
97.10165	3.1
103.05471	1.1
105.07030	55.1
107.04948	8.2
107.08593	18.2
109.06511	4.4
109.10151	9.3
111.08053	2.4
115.05485	1.0
115.11768	0.9
117.07014	11.0
119.08579	34.9
121.06496	3.6
121.10138	9.4
123.08071	2.5
123.11688	2.6
125.09618	2.6
129.07002	3.1
131.08556	14.8
133.06480	1.4
133.10132	35.9
134.10461	1.3
135.08052	4.4
135.11676	4.2
137.09602	3.9
143.08559	3.3
145.10123	14.4
147.07990	1.8
147.11676	19.7
149.09650	6.9
149.13251	1.8
151.11159	2.8
153.12642	0.9
155.08617	1.8
157.10118	3.4
159.11691	8.2
161.09628	1.4
161.13239	5.8
163.11211	6.1
163.14760	1.1
165.12741	1.8
169.10141	3.2
171.11679	3.2
173.09669	0.8
173.13243	5.4
175.11237	1.9
175.14812	1.2
177.12741	1.8
179.14357	1.2
183.11659	2.2
185.13319	0.9
187.11157	1.6
187.14697	2.1
189.12752	1.2
197.13223	3.5
201.12709	1.4
201.16382	1.2
205.12257	1.1
215.14398	1.2
215.17946	1.7
229.19490	4.2
233.15468	1.1
234.74127	1.0
239.17943	6.8
247.20540	3.2
257.18970	13.3
260.93384	0.9
275.20056	100.0
276.20367	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	275.2003
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03938	3.0
55.01878	7.4
55.05510	16.6
57.07074	0.9
65.03936	1.5
67.05500	20.4
69.07071	11.7
69.81786	3.3
69.82166	1.3
71.04990	1.3
79.05489	22.8
81.03400	1.1
81.07053	38.1
81.27715	0.7
83.04972	1.7
83.08614	5.4
85.06525	1.5
87.04414	0.6
88.07597	0.6
90.57996	0.6
91.05477	55.3
92.05798	0.9
93.07037	17.6
95.01324	1.3
95.04966	3.3
95.08597	12.5
95.88694	0.7
97.06521	9.6
97.10144	1.8
98.22496	0.8
99.08067	0.9
103.05476	2.8
105.07026	100.0
106.07360	2.1
107.04945	3.9
107.08593	10.9
109.06498	3.4
109.10150	4.9
115.05432	1.6
117.07021	11.5
118.07817	1.1
119.08575	43.4
120.08924	0.8
121.06517	2.2
121.10156	5.9
123.08076	1.4
123.11652	0.7
125.09629	0.8
129.07011	1.6
130.07802	0.8
131.08562	19.8
133.10123	54.0
134.10443	1.6
135.08044	2.0
135.11696	3.5
137.09601	1.4
137.97583	0.7
139.07603	0.9
141.06863	0.7
143.08539	2.8
145.10114	15.4
146.10773	0.9
146.38681	0.7
147.08008	0.7
147.11682	22.8
149.09602	2.5
149.13309	1.0
151.11159	1.3
155.08539	1.5
157.10110	2.7
159.11710	6.2
161.09618	1.1
161.13258	3.0
163.11191	2.1
165.09120	2.3
169.10144	1.7
171.11661	1.6
173.13240	2.7
177.12753	1.6
179.14233	1.1
183.11662	2.1
187.14876	1.0
195.13806	0.8
197.13228	1.7
198.76479	0.6
204.02751	0.8
229.19463	4.1
239.17934	2.8
247.16934	0.7
247.20517	2.9
257.18948	5.2
270.25781	0.6
275.20047	75.2
276.20444	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	275.2006
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
51.31041	0.4
53.03940	1.4
55.01865	3.5
55.05508	11.9
57.03431	1.1
57.07065	0.7
65.03915	0.9
67.05501	16.6
69.07066	9.5
69.10279	4.7
70.29872	0.4
71.04986	1.6
78.96438	0.5
79.05488	17.3
81.07057	16.4
81.09192	0.5
83.04977	2.2
83.08621	4.5
85.06554	1.3
88.07613	0.9
91.05474	37.5
92.05798	0.7
93.07040	17.4
95.04951	3.5
95.08600	12.4
95.09209	0.6
97.06509	2.6
97.10168	2.3
98.97588	0.7
103.05461	1.8
105.07024	55.3
106.07326	0.8
107.04929	3.4
107.08587	15.0
109.06493	2.6
109.10149	5.0
111.08075	1.2
113.06000	0.7
115.05450	1.1
117.07017	8.5
117.93613	0.5
118.07783	0.6
119.08574	30.8
120.08836	1.0
121.06485	3.2
121.10142	6.7
123.08077	2.2
123.11697	1.4
125.09614	1.1
129.06978	2.3
130.07710	0.6
131.08551	12.4
132.08875	0.5
133.06509	0.8
133.10123	30.8
134.10471	0.8
135.08073	3.2
135.11694	3.7
137.09619	1.7
139.11194	0.9
141.06955	1.2
142.07674	0.6
143.08562	1.8
145.06464	1.0
145.10114	14.5
147.08022	1.7
147.11681	21.2
149.09599	7.4
149.13254	2.1
151.11180	1.1
154.07767	0.5
155.08540	1.3
157.10114	2.5
159.11681	7.3
161.09656	1.6
161.13245	5.1
163.11166	4.0
165.09094	1.0
165.12788	0.6
169.10106	2.2
171.11696	3.3
173.09633	0.5
173.13255	4.1
175.11137	1.5
175.14825	1.0
177.12718	1.4
181.12146	0.6
183.11676	2.4
185.13275	1.3
187.11179	1.9
187.14781	1.1
189.12732	1.4
191.14366	0.8
193.12222	0.7
197.13266	2.0
201.12801	0.6
205.12093	0.8
205.15977	0.8
208.95193	0.5
211.14867	1.3
213.16370	0.7
215.14253	0.9
215.17934	1.3
219.13684	1.2
229.12225	0.5
229.15958	0.9
229.19495	2.2
233.15288	1.1
239.17912	3.3
247.20522	1.6
257.18958	7.8
275.20044	100.0
276.20410	5.2
293.10068	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03958	4.5
55.01870	6.0
55.05511	13.0
55.98427	0.8
57.03439	2.4
57.07071	2.6
58.87982	0.8
59.04990	1.0
59.13300	0.7
63.38059	0.7
65.03928	1.9
67.05165	1.8
67.05506	24.1
69.03419	3.0
69.07069	10.4
70.06609	1.0
71.04994	4.5
71.31862	0.9
73.06535	1.0
77.03934	1.2
79.05493	24.2
81.03419	7.0
81.07059	23.8
83.04985	4.2
83.08629	8.4
85.06554	3.1
88.07685	0.8
91.05479	30.3
93.06457	1.3
93.07046	24.4
95.04975	6.5
95.08019	1.6
95.08608	21.8
97.06538	6.8
97.10198	1.2
99.08069	1.6
103.05457	1.6
103.38936	0.7
105.04505	1.2
105.07034	38.0
107.04955	19.9
107.08596	14.3
109.06532	5.5
109.10149	7.6
111.04435	1.1
111.08073	2.7
113.06031	1.3
115.05503	1.2
117.07025	10.7
119.08588	24.9
120.05760	0.9
121.06512	10.6
121.10143	11.2
123.04433	3.1
123.08067	10.9
123.11726	2.5
125.09635	1.5
129.07010	3.5
130.07823	0.9
131.08563	12.2
133.06517	2.3
133.10132	25.7
135.08073	5.4
135.11673	6.6
137.09589	5.8
138.11394	0.9
141.07040	1.3
142.07816	0.8
143.08551	3.8
145.06531	1.3
145.10130	15.4
147.08006	4.1
147.11708	14.1
149.09615	9.5
149.13255	2.0
151.11192	3.2
153.09041	0.8
155.08568	1.4
157.10130	3.3
159.08009	1.7
159.11702	8.2
161.09621	2.4
161.13248	7.0
163.11192	6.1
163.14839	2.3
165.09119	2.5
165.12767	2.8
169.10092	1.9
171.11653	4.2
173.09615	2.0
173.13237	5.5
175.11217	2.5
175.14777	1.7
177.12801	4.3
178.35780	0.7
179.30215	0.9
183.11673	1.9
185.13214	1.3
187.11150	2.1
187.14841	2.4
189.12741	6.6
191.14340	1.8
193.12230	1.8
197.13364	1.9
199.14839	1.2
201.12732	2.3
203.14308	1.6
205.12215	1.7
205.15895	2.1
215.14369	2.0
215.17769	1.7
219.13792	1.3
229.15828	1.3
229.19472	5.1
233.15501	1.2
233.18742	0.9
239.17952	3.8
247.20586	3.5
257.11533	1.1
257.19012	12.1
265.38840	0.8
275.20071	100.0
275.27734	5.9
276.20374	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.101
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03461	0.7
58.06595	17.4
59.07378	7.2
59.07642	0.2
59.99129	0.4
60.07861	0.6
60.08160	9.4
67.04250	1.7
69.04550	0.4
69.35859	2.6
70.06577	0.6
80.03755	0.6
81.03424	0.3
82.02929	0.7
83.99091	3.6
84.04514	0.3
86.00638	1.5
93.04516	1.1
97.04014	3.9
97.06461	0.4
98.00635	1.0
101.00896	2.1
102.00959	0.7
108.03213	1.1
109.03989	1.8
110.06003	0.5
111.00160	0.4
112.00938	0.9
113.00927	0.4
113.01702	0.8
113.10773	2.1
119.01921	2.2
120.02005	2.1
121.01656	0.7
124.00902	0.6
125.01686	1.7
126.05540	0.5
129.01163	1.3
131.01921	0.4
138.05449	0.7
138.09041	0.4
139.03917	0.5
140.07045	1.2
141.01167	35.4
141.05457	0.8
142.02026	1.7
143.01872	0.9
143.02831	2.2
145.03476	0.7
146.03615	1.1
147.03262	0.5
152.07065	0.8
153.07828	0.8
154.05028	1.9
154.08607	0.4
155.01888	0.5
157.00684	1.8
160.05182	0.9
161.02939	2.4
166.08710	0.5
166.99074	1.9
168.06540	1.1
168.11296	0.7
169.07323	4.8
173.02986	0.9
175.03906	0.3
182.08109	1.4
184.06078	1.2
185.00150	1.4
185.02887	0.6
185.06168	7.0
187.04129	0.4
188.04654	0.4
190.02548	0.8
198.07611	0.7
200.08516	100.0
201.09167	4.5
202.07211	0.4
202.10051	2.8
203.03502	0.7
212.09161	1.6
213.01808	1.0
213.06471	0.4
226.06529	0.5
228.08664	10.3
230.10097	1.8
231.02805	2.4
232.11105	2.0
241.01241	0.5
244.07500	18.2
245.05052	0.5
245.07735	0.5
251.84698	0.4
258.09656	2.7
259.02322	4.1
276.10339	24.9
277.03406	7.9
277.07779	3.2
277.10468	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0081
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	7.4
69.06467	57.4
69.20824	5.3
70.95836	5.9
80.69040	6.5
88.49795	6.5
89.78575	5.6
98.97573	100.0
113.25841	5.9
116.98619	44.0
118.19847	6.0
119.01936	10.9
134.99663	13.8
149.25964	6.1
163.03900	21.5
179.00757	13.0
192.94702	12.4
205.02280	18.4
210.95912	18.4
234.95854	13.1
235.03418	6.6
252.96921	17.5
258.99734	59.9
259.99896	7.3
267.95804	13.7
276.97159	39.8
277.00818	65.0
277.04459	24.8
278.00958	8.1
294.98047	33.6
295.05716	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	277.0321
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30105	6.1
60.59619	5.9
69.71767	27.6
79.60240	6.5
81.03358	5.9
82.99827	9.4
98.97610	8.9
101.00890	43.3
113.00907	15.4
119.01914	37.7
131.01892	17.2
143.01927	38.8
145.03403	8.5
155.01883	12.4
157.03484	14.0
161.02963	80.8
173.02995	24.3
175.04361	6.2
185.02992	17.1
203.04021	10.7
231.03017	7.3
245.05168	20.0
277.03333	25.9
277.07404	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1071
Annotation	3,4-Dihydro-1,2-secomicrominutinin methyl ester
Peak:m/z	Relative Intensity
52.03241	1.7
53.03945	2.7
53.42868	2.0
53.49714	1.7
55.01871	7.0
57.03444	2.5
65.03954	2.0
67.05506	3.6
69.03426	16.4
69.07082	3.5
69.10073	17.7
71.01352	2.7
79.05496	4.3
81.03425	18.8
81.07076	6.0
85.02927	3.7
91.05484	15.1
93.07054	4.3
95.08626	6.0
96.94935	2.4
97.02904	3.6
99.04480	3.1
101.02435	2.4
103.05486	5.6
105.07051	3.8
107.08607	3.6
109.06602	1.8
109.10149	2.8
115.05461	34.7
116.06238	5.6
117.07014	22.2
119.04949	5.1
119.08635	3.7
121.10207	3.5
123.11773	1.8
124.36018	1.8
128.06213	20.6
129.06990	17.6
130.04170	4.5
130.07832	2.4
131.04967	6.8
131.08600	10.6
132.05722	2.9
133.06494	4.8
133.10158	2.2
135.08084	1.9
136.07587	6.2
141.06976	14.6
142.07794	2.2
143.04913	12.6
143.08611	7.6
144.05734	7.6
145.06496	40.2
145.10179	2.8
146.07314	2.4
147.04445	6.5
149.02460	3.1
149.06013	3.9
152.06215	4.4
153.05544	3.8
153.07019	6.8
155.04909	2.7
155.06042	4.3
157.06483	20.4
157.10086	2.3
158.07329	5.1
159.04442	6.9
159.08046	14.9
160.05249	12.3
161.05968	11.8
162.03185	9.5
162.06807	7.1
163.03897	3.1
164.04698	3.4
168.05696	2.5
169.06483	12.3
170.07332	2.5
171.04440	7.4
171.08057	9.5
173.05995	65.3
173.07445	3.7
173.09634	3.9
174.06763	3.8
175.03918	10.8
175.07544	17.8
177.05476	59.6
177.06953	3.5
178.06277	3.8
181.06548	6.9
183.08025	2.3
185.05968	17.8
186.06810	7.7
187.03943	2.3
187.07555	24.1
188.04706	3.7
189.05534	5.0
189.09129	8.8
190.06264	14.9
191.03419	7.7
191.06987	14.2
197.06024	4.3
198.06789	3.3
199.07542	13.6
201.05508	5.7
201.09155	7.6
202.06265	33.8
203.07030	57.8
203.10831	2.9
204.07719	5.8
205.08737	5.4
206.05815	3.1
213.09032	3.8
214.06299	3.0
215.07033	11.6
216.07768	4.7
217.08600	100.0
218.09294	17.5
219.10172	5.4
226.06358	2.2
227.07054	7.2
229.08640	2.8
230.09474	6.0
231.06598	3.0
231.10213	12.7
232.07310	13.5
236.06821	7.9
241.08604	3.7
245.08154	8.7
247.09686	16.7
249.07559	5.7
259.09714	7.2
259.13358	2.7
262.08279	3.9
277.10785	98.0
278.11130	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	277.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.3
53.07031	0.3
55.01866	0.3
55.05511	10.3
57.07075	15.9
57.31041	0.2
58.07407	0.2
65.03937	1.4
67.05504	2.8
69.03411	0.5
69.07078	1.3
69.16601	0.6
69.17000	1.5
71.04977	0.5
75.30344	0.2
79.05499	4.2
81.07053	4.2
83.04957	0.3
83.08617	0.5
85.06525	0.4
91.05487	3.0
93.03420	0.6
93.07043	5.3
95.04958	0.8
95.08611	2.8
97.10178	0.6
105.07028	1.7
107.04941	0.3
107.08604	3.2
109.02896	0.5
109.06506	0.4
109.10163	1.9
111.04401	0.3
115.73939	0.3
116.06189	0.3
117.07033	0.5
119.08592	1.2
121.02882	5.0
121.03915	0.7
121.06548	0.4
121.10157	2.9
123.04401	0.4
123.08063	0.6
123.11696	0.5
125.09647	0.3
128.06239	0.4
129.06982	1.3
131.08548	2.0
133.06522	0.6
133.10115	1.0
135.08089	0.6
135.11685	3.1
137.13228	0.4
143.04892	0.5
143.08562	0.5
145.10172	0.5
147.08040	0.7
147.11653	0.5
149.02339	100.0
149.13278	1.3
150.02676	2.5
157.06444	0.4
157.10152	0.4
159.11674	0.4
161.05956	2.8
161.09656	0.4
161.13232	0.6
161.93051	0.3
163.14807	0.4
167.03354	1.3
171.11656	0.4
175.07538	7.4
175.11084	0.3
178.07809	0.3
185.05873	0.5
189.12695	0.3
190.05023	0.4
203.07045	6.5
203.08875	0.5
204.07286	0.3
249.09222	0.4
249.14783	0.3
259.17014	0.4
259.20575	0.6
259.23962	0.3
277.03647	0.3
277.08444	0.6
277.14331	2.2
277.18243	1.4
277.21619	4.8
277.24930	0.4
278.10135	0.2
283.33359	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.4
53.03936	1.2
55.01882	2.0
55.02095	0.4
55.05515	18.5
57.03432	0.6
57.07073	2.7
65.03939	1.3
67.05158	0.5
67.05507	8.8
68.05828	0.3
69.03426	1.0
69.07073	4.2
71.04993	0.7
71.08618	1.2
71.32589	0.4
72.98860	0.3
77.03941	0.3
79.05491	8.9
81.03405	1.0
81.07062	11.0
83.04964	1.3
83.08623	2.6
85.06532	0.9
91.05480	6.1
93.03391	0.5
93.07048	13.5
95.04976	2.4
95.08612	8.2
97.02882	0.3
97.06521	1.3
97.10157	0.9
99.08087	1.7
105.04542	0.3
105.07024	5.9
107.04973	0.8
107.08604	6.8
109.02861	0.5
109.06532	1.4
109.10156	3.2
111.04405	0.4
111.08064	1.7
111.11755	0.3
113.09632	0.4
117.07005	1.2
118.24520	0.3
119.08586	4.4
121.02882	4.9
121.03867	0.5
121.06507	1.2
121.10145	7.0
123.04362	0.4
123.08094	1.0
123.11748	1.6
123.71962	0.3
125.09641	0.5
128.06238	0.5
129.07019	1.1
131.08578	1.5
133.06496	0.7
133.10138	3.7
135.08084	1.1
135.10750	0.6
135.11708	6.4
137.05937	0.4
137.09624	1.0
137.13271	0.6
138.73534	0.3
139.11172	0.5
143.08574	1.1
145.10162	2.0
147.08032	1.0
147.11691	2.0
149.02344	100.0
149.09633	0.9
149.13251	2.8
150.02681	2.1
151.03897	0.9
151.07591	0.4
151.11172	1.4
157.06458	0.4
157.10114	0.8
159.11690	1.1
161.05978	0.4
161.09659	0.8
161.13286	1.7
163.11200	1.6
163.14867	1.1
165.12761	0.9
167.03461	1.4
171.11688	0.8
173.09683	0.3
173.13271	0.7
175.07681	0.4
175.11244	0.6
175.14865	1.3
177.12834	0.3
177.16425	0.3
179.14281	0.6
185.13332	0.9
187.14772	0.5
189.09045	0.3
189.12796	0.6
190.05011	0.5
195.13812	0.3
199.14685	0.4
203.06992	1.6
203.08684	0.3
203.14360	0.4
205.08630	1.3
207.13829	0.5
213.16409	0.5
217.08498	0.4
221.15387	0.7
231.13893	0.4
231.21080	0.4
241.19542	1.4
249.22137	0.5
250.15274	0.3
259.13220	0.4
259.16946	1.0
259.20700	2.4
259.23401	0.4
277.08600	1.2
277.14417	2.9
277.17886	6.1
277.21634	14.0
277.24899	0.6
278.09210	0.3
278.21957	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.6
53.35619	0.7
54.34322	0.6
55.01863	1.8
55.05502	3.0
57.03433	1.1
57.07074	1.5
65.03947	1.1
67.05505	10.6
69.03412	1.2
69.07069	5.5
71.04991	6.3
71.32740	1.3
79.05483	11.0
81.07047	11.3
83.04944	1.4
83.08603	1.7
85.06539	1.4
86.06051	1.4
91.05479	15.6
93.07037	14.3
95.04948	3.1
95.08598	9.5
97.06505	1.3
97.10160	1.0
97.23496	0.7
97.60837	0.8
103.05490	2.2
105.07023	13.1
106.07352	1.1
107.04953	2.5
107.08589	9.7
109.06522	3.1
109.10141	3.6
111.08049	1.0
115.05470	1.7
115.68391	0.7
116.06229	2.0
117.06994	2.4
118.04150	3.3
119.04922	2.4
119.08550	4.4
121.06522	5.5
121.10149	9.3
123.08046	3.4
123.11743	1.4
127.03798	0.7
128.06277	3.6
129.07007	10.9
131.04912	6.5
131.08557	7.6
132.05701	1.2
133.06465	2.8
133.10139	4.5
135.04448	0.9
135.08087	2.0
135.11696	6.6
137.05963	1.4
137.09637	1.7
139.03899	1.4
143.08565	2.5
144.05708	1.1
145.06508	2.4
145.10136	2.2
146.03581	2.0
146.07260	8.5
147.08034	1.5
147.11682	2.9
148.05161	4.0
149.02325	1.1
149.09589	2.6
149.13214	2.9
151.11179	0.9
155.05994	0.9
157.06502	3.7
157.10089	1.7
159.07979	1.0
159.11673	1.5
160.08994	0.9
161.05969	100.0
161.09602	40.2
161.13283	1.8
162.06297	3.0
162.09985	1.2
163.14815	1.0
171.08009	1.8
171.11705	1.7
174.06752	1.8
175.11276	1.1
175.14981	1.0
177.12807	0.8
185.13220	1.4
189.09097	81.0
189.16258	1.1
189.22214	0.8
190.09447	2.7
205.16084	0.8
213.16330	1.5
231.10130	1.7
231.13712	0.9
234.06830	1.2
241.19560	1.4
249.09096	1.2
259.09558	1.1
259.13336	0.8
259.16809	1.1
259.20529	2.3
277.03506	0.7
277.08401	3.2
277.11334	1.6
277.14337	3.4
277.17950	7.3
277.21588	13.3
277.25183	1.4
278.21988	1.1
292.17099	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2162
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03934	5.0
55.01859	4.3
55.05513	14.8
57.03439	1.7
57.07060	5.0
67.05503	53.7
69.07070	16.1
69.74070	6.8
70.06568	1.9
71.04967	3.1
71.08624	4.4
79.05495	46.5
81.03403	7.9
81.07054	46.4
83.04974	6.1
83.08621	7.8
85.06556	3.4
90.84464	1.5
91.05482	22.4
93.07045	54.2
95.04982	11.6
95.08608	25.5
97.06518	5.7
97.10169	3.9
99.08057	6.9
103.54315	2.0
105.07025	15.6
107.04949	5.6
107.08594	33.9
108.05746	2.0
108.08991	2.1
109.06486	4.4
109.10155	19.7
111.08120	2.6
115.98525	1.3
117.07014	5.7
119.08574	14.3
121.06467	2.8
121.10136	21.3
123.08162	2.1
123.11670	5.1
125.09637	1.7
129.06987	3.0
131.08559	6.9
133.06500	1.7
133.10144	10.3
135.08018	3.7
135.10612	2.2
135.11681	31.8
137.05905	1.9
137.09627	1.9
143.08557	5.2
145.10104	5.8
147.08044	3.4
147.11658	9.8
149.09583	2.3
149.13258	13.6
151.03926	4.2
151.11168	7.2
153.12758	1.7
159.11693	3.9
161.06023	2.7
161.09587	3.2
161.13293	6.7
162.06728	5.6
163.11145	5.7
163.14789	5.1
171.11678	3.8
173.13268	2.8
175.07536	5.8
175.11203	2.5
175.14854	3.8
177.12708	2.9
180.07796	5.2
181.12282	3.1
185.13240	3.2
189.12807	3.2
193.08546	14.6
199.14832	1.6
207.10217	1.4
207.13846	1.7
217.12157	8.2
217.19411	2.2
221.15347	2.8
231.21098	2.5
234.06944	1.6
235.13303	24.5
235.16930	2.2
241.19527	4.7
249.22377	1.6
259.20618	10.6
277.08725	2.6
277.11768	2.6
277.14725	8.4
277.21616	100.0
277.28134	7.4
278.21906	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2161
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03948	5.0
55.01868	8.1
55.05254	1.5
55.05508	25.4
57.03413	2.9
57.07073	10.4
65.03944	2.6
67.05499	42.7
69.03413	3.1
69.07064	18.9
71.04977	3.6
71.08627	11.0
71.32737	1.4
73.75570	1.0
76.83286	1.0
77.03905	1.1
79.05490	48.6
80.05804	1.1
81.03396	4.9
81.07050	46.5
83.04968	6.1
83.08604	11.5
85.06516	3.0
85.10153	1.1
91.05476	29.6
93.07042	67.9
94.07392	1.0
95.04971	10.9
95.08599	31.3
96.08923	0.9
97.06532	6.7
97.10176	4.8
99.08084	10.6
105.04559	1.3
105.06351	1.6
105.07024	23.4
107.04946	4.1
107.08588	35.5
108.08862	1.2
109.06532	5.5
109.10145	14.8
111.08077	6.9
113.09647	1.1
114.58750	1.1
117.07003	6.6
119.08581	15.7
121.02876	2.5
121.06489	3.7
121.10140	25.0
123.08096	4.9
123.11705	5.8
125.09630	3.2
128.06244	1.2
129.07001	4.0
131.08539	6.6
133.06425	1.9
133.10118	14.9
135.08028	4.0
135.11682	26.3
137.09613	3.1
137.13222	2.0
139.07516	1.0
139.11160	1.9
141.12718	3.7
143.08548	4.5
145.10143	8.9
145.92177	1.0
147.08038	2.5
147.11661	12.5
148.11989	1.2
149.02332	75.6
149.09595	3.9
149.13268	13.2
151.11169	8.0
153.12787	2.3
157.10127	3.9
159.11690	4.1
161.05952	1.2
161.09589	3.8
161.13257	11.5
163.11185	13.0
163.14792	7.0
165.12762	4.7
167.10771	1.1
169.12183	1.4
171.11693	4.7
173.13234	3.2
175.07571	1.1
175.11197	2.2
175.14792	3.8
177.12749	2.3
177.16408	1.3
179.10678	1.4
179.14330	2.9
181.12204	1.2
181.82053	1.1
185.13271	4.8
189.09242	1.2
189.12715	2.3
193.12280	2.1
193.15843	1.0
195.13843	2.0
199.14789	2.8
202.89153	1.0
203.06882	1.4
203.08562	1.2
203.14261	1.8
207.13768	2.7
213.16360	1.1
217.19395	2.1
221.08090	12.8
221.15300	4.3
231.08067	3.0
231.13794	2.6
231.21077	2.5
234.06772	1.9
235.16978	4.0
241.19489	6.3
249.09180	3.2
249.22118	4.0
259.02246	1.1
259.17508	1.5
259.20541	12.9
277.08484	10.8
277.14542	16.2
277.18066	5.5
277.21600	100.0
278.14871	1.0
278.21997	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2161
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
52.15223	1.9
53.03936	5.0
55.01905	3.1
55.05505	18.2
57.07058	4.6
67.05155	2.9
67.05502	41.9
69.07063	18.0
71.08630	24.0
79.05492	70.4
81.03409	4.5
81.07053	66.3
83.04971	5.7
83.08599	8.6
85.06544	2.9
91.05479	36.7
93.07040	100.0
95.04952	9.5
95.08599	37.8
95.09197	2.3
97.06500	4.2
97.10154	4.0
99.08088	14.3
104.95587	2.0
105.04499	2.8
105.07027	19.8
107.04957	4.5
107.08588	60.6
109.06490	5.2
109.10156	13.3
117.06985	5.7
119.08590	12.7
120.35996	2.2
121.10136	46.2
123.11700	2.5
131.08577	7.2
133.10071	11.2
135.08089	2.1
135.11687	49.2
137.05975	2.1
137.09619	4.2
139.15652	2.3
143.08607	3.4
145.10143	6.0
147.11676	8.2
149.13248	16.3
151.11169	10.6
157.10144	3.2
159.11711	4.7
161.13261	8.6
163.11160	6.4
163.14842	4.6
167.10623	3.1
171.11661	2.8
173.13275	2.9
175.14688	2.1
177.12779	2.8
179.14304	26.9
181.12189	2.6
185.13307	4.3
189.12598	2.4
195.13789	2.1
207.13719	2.2
221.15376	5.5
228.75797	2.6
235.13268	2.8
235.16902	3.2
241.19545	2.7
259.20538	6.2
277.21628	85.8
278.21997	5.7
299.39798	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	277.2161
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
53.03945	6.3
55.01855	2.3
55.05509	14.8
57.07069	2.6
65.03939	2.1
67.05499	38.9
68.05823	0.7
69.07057	11.5
69.53363	0.8
70.50903	1.7
71.04982	2.2
71.08632	0.9
77.03909	1.3
79.05489	72.1
80.05832	1.2
81.03402	2.0
81.07051	35.2
83.04963	2.5
83.08612	7.1
85.06525	1.9
91.05472	29.8
93.07038	100.0
94.07347	2.0
95.04960	8.8
95.08597	23.6
95.95827	0.8
97.06525	4.1
97.10165	4.1
99.08109	1.3
105.04523	2.4
105.07019	14.0
107.08585	45.3
107.55918	0.8
108.08865	1.2
109.06534	2.8
109.10140	10.6
111.08090	1.6
111.32068	0.8
116.69592	0.7
117.06979	2.4
119.08577	9.7
121.10133	50.0
122.10416	1.0
123.08071	1.8
123.11688	2.6
125.09648	1.7
126.79411	0.9
129.07042	1.2
131.08549	4.7
133.10121	9.8
135.08072	1.1
135.11684	38.4
136.11990	1.0
137.09579	1.5
139.11179	1.2
143.08548	1.5
145.10109	3.9
147.11653	6.3
149.09659	1.8
149.13240	19.1
151.11148	2.2
157.10126	1.4
159.11710	3.6
161.13266	4.8
163.11198	2.6
163.14815	3.9
165.12700	1.2
171.11664	2.1
173.13252	2.0
175.11148	1.6
175.14812	3.2
177.12773	1.8
181.12256	2.1
185.13231	2.1
189.12764	1.4
193.12173	1.3
195.07300	0.8
195.13792	1.3
199.14902	1.2
201.50060	0.8
207.13870	1.0
213.16493	1.2
221.15302	2.7
231.17395	1.4
231.21262	1.0
231.89874	0.9
235.16820	2.1
241.19516	3.0
259.20538	3.8
277.08350	1.3
277.21613	63.1
278.21957	2.0
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
51.02380	1.0
53.03950	3.9
53.98761	0.4
55.01873	2.5
55.05512	18.0
57.03439	2.3
57.07072	3.9
63.40782	0.5
65.03948	2.3
67.05507	49.1
68.05827	0.7
69.03422	1.5
69.07072	17.7
69.24731	0.6
69.25136	3.2
70.07407	0.5
71.04992	2.4
71.08634	27.0
72.08974	0.4
77.03918	0.9
79.05495	67.4
80.05837	1.0
81.03423	5.6
81.07058	55.6
82.07383	1.0
83.04986	6.1
83.08621	8.6
85.06548	2.2
91.05481	32.5
92.05836	0.7
93.07046	100.0
94.07374	1.4
95.04972	10.6
95.08607	37.8
96.08942	0.8
97.06537	6.7
97.10165	4.8
98.22601	1.0
99.04439	0.6
99.08097	17.6
102.78078	0.5
105.04523	2.3
105.07031	19.8
106.07388	0.7
107.04955	4.3
107.08595	60.0
108.08907	0.8
109.06524	3.1
109.10157	11.6
111.08092	1.5
113.09664	2.1
117.07030	4.6
119.06092	0.7
119.08581	15.1
121.06522	1.7
121.10148	42.8
122.10477	0.6
123.08105	2.3
123.11736	2.6
125.09649	1.3
127.11143	0.4
129.06993	1.8
131.08560	5.1
133.06531	0.7
133.10132	10.8
135.11693	58.5
136.12001	1.2
137.05946	0.5
137.09616	3.0
137.13277	1.2
139.11208	1.2
141.09087	2.5
143.08582	2.8
145.10126	4.8
147.08051	0.9
147.11678	6.4
149.05978	0.8
149.09592	0.8
149.13252	15.6
151.11182	10.9
153.12704	0.8
157.10107	2.7
159.11691	3.7
161.09607	1.4
161.13251	9.1
163.11195	4.6
163.14848	4.6
165.09106	0.7
165.12727	0.9
167.10686	3.4
171.11737	1.9
173.13240	1.4
175.11195	1.0
175.14859	2.3
177.12827	2.5
177.16475	0.5
179.14313	29.8
180.14661	1.3
181.12256	0.8
183.37366	0.5
185.13281	2.4
189.12732	1.9
189.16414	0.5
191.14241	0.5
195.12221	0.4
195.13826	2.0
199.14824	1.9
203.14285	1.1
207.13826	1.7
213.16400	1.1
217.15749	1.0
221.08084	0.9
221.15372	4.2
222.15666	0.6
231.17389	0.5
231.20952	0.7
235.16942	2.6
241.19513	1.6
259.13272	0.7
259.20560	3.7
277.14859	2.9
277.21631	69.7
278.21936	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	277.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.3
55.01870	1.1
55.05511	16.5
57.07064	3.5
65.03957	2.1
67.05506	36.5
69.07062	13.4
69.42924	0.8
71.04995	2.2
71.08652	1.5
79.01085	0.9
79.05495	67.9
80.05835	1.5
81.03433	0.9
81.07058	41.0
83.04974	2.3
83.08633	6.2
85.06552	2.5
89.06003	0.9
91.05481	28.3
93.07044	100.0
94.07369	2.2
95.04969	6.7
95.08607	26.9
96.08950	0.9
97.06529	3.1
97.10178	4.2
98.23393	2.1
105.04516	2.1
105.07029	15.5
107.04993	1.0
107.08592	46.3
109.06524	3.0
109.10171	13.6
111.08076	1.4
117.07001	4.8
119.08572	14.5
121.06530	1.4
121.10145	40.0
122.10442	1.4
123.08081	2.7
123.11708	3.5
125.09644	1.8
129.07019	1.5
131.08574	4.9
133.10126	11.2
135.08090	2.6
135.11693	58.5
136.12027	1.8
137.09616	1.8
143.08568	2.4
145.10133	5.9
147.11687	10.2
149.09637	2.6
149.13255	24.2
150.13556	1.2
151.03972	1.0
151.11221	1.8
157.10167	3.5
159.11691	4.0
161.09648	2.6
161.13321	5.7
163.11209	2.4
163.14815	6.5
165.09120	1.5
165.12671	1.2
171.11708	3.5
173.13275	3.1
175.14819	2.1
177.12875	1.4
177.16365	1.1
182.44408	0.9
185.13263	1.7
189.09109	1.5
189.12650	2.1
193.08626	1.3
193.10207	1.0
193.12282	1.5
195.13809	2.0
199.14792	2.6
205.08586	0.9
207.13889	2.6
208.15924	1.1
213.16365	3.4
215.18013	0.9
221.15332	4.3
231.13762	1.1
231.17430	2.2
235.16953	4.0
241.19595	2.2
249.08998	1.1
259.13501	1.5
259.17380	0.9
259.20581	6.2
264.75803	0.9
277.08652	3.1
277.11737	1.6
277.14487	4.6
277.18628	2.9
277.21643	74.4
278.17548	1.2
278.21973	3.5
290.75668	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25039	4.8
54.47412	5.1
56.96554	8.0
62.10593	4.6
68.88121	4.6
69.76772	26.9
84.08131	8.7
85.46646	6.1
92.19209	5.0
98.22725	5.6
98.97586	100.0
98.98676	4.7
101.00880	12.4
110.97578	23.2
116.98617	38.7
119.01924	17.7
126.24521	5.3
128.98627	22.1
134.99657	14.8
146.99667	7.1
158.99637	32.5
161.02937	9.3
170.99631	9.0
177.00716	44.1
182.97412	4.9
186.36566	6.4
189.00719	16.4
189.02289	5.1
203.10931	5.2
207.01808	9.3
219.01883	6.1
233.99261	5.0
279.04745	54.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0933
Annotation	Triphenylphosphine oxid
Peak:m/z	Relative Intensity
52.79788	0.1
53.03941	1.0
55.05500	0.2
55.19612	0.2
57.07051	0.7
61.58781	0.2
63.84273	0.2
67.05498	0.8
69.09174	0.6
69.09601	1.3
77.03979	0.5
79.05482	0.2
81.07047	0.9
91.05476	0.3
93.07043	0.3
95.00484	1.0
95.04953	1.0
95.08588	0.9
98.97631	0.2
105.03436	0.2
105.04485	0.5
107.08572	0.3
109.10120	0.3
115.05428	0.2
119.08565	0.3
121.02824	0.3
121.10161	0.3
122.99952	0.3
125.01590	0.2
128.06213	1.1
129.06969	0.9
141.00983	1.0
149.02335	4.3
154.07771	0.9
157.90506	0.2
167.06995	0.3
171.03572	1.6
173.05150	8.6
177.39725	0.2
183.03525	1.3
201.04628	19.9
202.05058	0.7
219.05687	63.9
220.05992	1.8
242.07251	0.2
279.09305	100.0
280.09656	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	279.2316
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
51.02369	0.5
53.03944	1.8
55.01872	3.3
55.05507	23.9
57.03439	4.1
57.07073	4.6
59.05011	1.5
59.54491	0.4
64.90643	0.4
65.03943	2.5
66.69919	0.4
67.05500	88.0
68.05822	1.0
69.03427	1.1
69.07063	31.7
69.62957	2.4
71.04984	6.4
71.08615	1.5
72.75533	0.5
77.03924	0.6
79.05488	32.9
79.91014	0.4
81.03415	0.5
81.07050	100.0
82.07404	1.0
83.04978	5.5
83.08616	12.9
85.06538	5.3
91.05473	12.4
91.06039	0.7
93.07037	36.0
95.04975	2.5
95.08600	84.5
96.08970	1.2
97.06522	7.5
97.10166	7.4
98.06922	0.4
98.22482	0.5
99.08089	2.3
105.07020	11.0
105.41129	0.4
107.08586	24.4
109.06507	2.8
109.10148	41.4
110.10496	1.0
111.08052	4.2
111.11726	1.8
113.09631	0.8
117.07009	3.1
119.08575	9.3
121.06483	1.0
121.10134	20.6
123.08068	2.5
123.11693	16.5
124.12006	0.5
125.09599	2.5
127.07528	0.5
127.11167	0.6
131.08572	6.8
133.10114	9.2
135.08080	1.7
135.11684	15.4
137.09602	1.8
137.13237	8.8
139.11183	1.9
139.85724	0.4
145.10123	6.1
147.11682	9.2
148.11964	0.5
149.02312	2.9
149.09618	1.8
149.13258	6.7
151.11128	2.1
151.14844	2.4
153.12724	1.9
159.11690	4.5
161.13234	7.8
161.61386	0.4
163.11221	1.5
163.14792	3.3
165.12762	1.9
165.16371	0.9
167.10661	0.9
173.11809	0.9
173.13223	5.5
175.14818	2.3
177.12724	1.0
177.16383	1.6
179.14302	1.3
181.12234	1.7
181.15913	0.5
187.13266	1.1
187.14841	3.2
189.16321	0.6
191.14301	1.3
193.15897	0.6
195.13831	1.3
201.14761	0.7
201.16393	1.1
203.17972	0.7
205.15863	1.1
209.15326	1.9
209.47104	0.5
215.16377	0.9
219.21062	0.6
223.16985	1.8
223.20584	0.8
227.38554	0.4
228.94395	0.4
233.22545	1.0
237.18497	0.7
237.22098	0.6
243.21066	9.7
243.23552	0.3
243.49263	0.5
251.23669	1.3
261.22107	25.6
262.22443	1.1
275.08701	0.4
279.23163	68.0
280.23529	3.7
298.25388	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2317
Annotation	Hedaol B
Peak:m/z	Relative Intensity
53.03937	2.4
55.01871	2.7
55.05505	22.8
57.03420	2.8
57.07070	5.5
59.04985	1.1
65.03931	2.9
67.05500	83.1
68.05821	1.2
69.07061	25.0
69.60342	5.6
71.04986	5.7
79.05488	29.8
81.07050	100.0
82.07388	1.8
83.04973	5.3
83.08612	15.3
85.06538	5.8
91.05479	13.1
93.07037	33.3
95.04975	1.8
95.08599	83.7
97.06522	9.0
97.10157	5.8
99.04492	1.1
99.08097	2.1
105.07020	10.9
107.07908	1.5
107.08585	20.4
109.06484	1.7
109.10151	38.1
111.08070	5.3
114.02792	0.9
117.07010	3.3
119.08577	9.1
121.06500	1.9
121.10132	20.4
123.08068	2.5
123.11700	17.6
125.09573	1.7
127.07502	1.2
131.08569	6.9
133.10120	9.4
135.08018	3.2
135.11687	16.3
137.09650	2.3
137.13257	6.5
139.11186	2.1
145.10139	5.8
147.11674	9.2
149.02332	7.5
149.09575	2.5
149.13239	8.0
151.11208	2.7
151.14803	3.2
153.12724	1.0
159.11668	2.8
161.13245	8.5
163.11160	2.1
163.14807	3.1
165.12747	2.5
167.10634	1.1
167.14333	1.1
173.13214	4.8
175.14845	2.7
177.12674	1.7
179.14331	1.3
181.12302	1.7
187.14804	2.5
189.16464	0.9
191.14264	1.7
195.13744	1.6
201.16406	1.3
209.15382	2.0
223.16898	1.5
243.21080	9.8
261.22119	21.7
264.77499	0.9
279.09335	1.1
279.23160	55.5
280.23441	3.0
285.62625	0.8
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	Hedaol B
Peak:m/z	Relative Intensity
52.62105	0.6
53.03942	3.4
55.01863	2.1
55.05508	22.9
56.60872	0.6
57.03425	3.0
57.07071	6.2
59.04993	0.8
65.03943	3.0
66.08416	0.6
67.05501	88.8
68.05830	1.1
69.03413	1.3
69.07063	29.2
69.20983	0.7
69.72633	3.0
71.04976	5.6
71.08613	0.9
79.05489	34.9
81.07051	100.0
82.07363	0.9
83.04992	4.4
83.08619	14.4
85.06525	5.3
85.10172	1.1
91.05475	14.2
93.07039	40.4
94.07359	0.7
95.04972	2.6
95.08599	80.5
96.08936	1.9
97.06525	12.1
97.07116	1.1
97.10159	7.6
99.08086	2.5
105.04520	1.0
105.07024	11.7
107.08587	22.8
109.06529	2.8
109.10149	37.5
111.08071	5.0
111.09270	0.6
111.11705	2.3
113.09656	0.8
115.05475	0.8
117.07003	3.3
119.08576	9.6
121.06471	1.5
121.10136	24.0
122.26421	0.6
123.08069	3.0
123.11700	18.0
125.09618	2.1
131.08580	8.9
133.10110	10.7
135.08060	3.6
135.11688	18.4
137.09598	2.4
137.13214	6.3
138.52982	0.8
139.11160	2.6
141.12708	0.7
145.10101	7.3
146.06059	1.1
147.11670	11.2
148.11998	0.8
149.02318	8.8
149.09612	3.6
149.13271	8.5
151.11188	2.5
151.14799	2.1
153.09093	1.0
153.12727	1.3
156.88678	0.6
159.11720	5.3
161.13257	7.7
163.11153	1.6
163.14862	3.9
165.12708	3.6
167.10660	0.9
167.14316	0.8
173.13277	4.9
175.14812	3.0
177.12737	1.3
177.16414	2.2
179.14293	1.3
181.12245	1.5
181.15857	0.7
187.13434	0.6
187.14880	4.2
189.16473	0.8
191.14285	1.2
195.13875	1.1
201.04628	0.8
201.16359	1.1
202.97479	0.7
205.15883	1.2
209.15355	2.0
219.05721	2.0
219.21130	1.0
223.16956	1.6
233.22650	0.8
240.42165	0.6
243.21083	9.9
261.22110	27.2
262.22476	1.7
279.09421	2.7
279.23190	60.0
280.23636	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	280.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03921	0.5
67.88605	0.2
70.06586	2.4
70.46643	0.4
70.46976	0.2
71.04993	1.6
74.77581	0.2
80.84238	0.2
86.66409	0.2
91.05475	8.1
92.05763	0.2
97.86753	0.2
116.07068	0.5
117.05437	0.2
119.04935	23.3
120.05261	0.4
121.06533	0.2
134.08121	2.9
147.04395	100.0
148.04726	2.3
149.02357	0.4
150.02664	0.3
154.12796	0.2
230.15990	0.2
280.11771	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1496
Annotation	7beta-Hydroxycatuabine I
Peak:m/z	Relative Intensity
52.81898	0.2
53.03940	0.5
55.05499	0.3
57.03196	0.2
57.03443	2.7
59.04998	0.2
61.02924	1.2
67.05504	0.4
69.03430	4.0
69.05618	1.2
69.06035	1.0
70.59937	0.2
71.01330	0.8
71.05008	1.3
73.02901	0.8
75.04470	0.5
81.03417	0.9
83.44130	0.2
91.05470	0.5
93.06999	0.3
95.04967	0.3
96.27810	0.2
98.23331	0.5
99.04449	1.4
99.57190	0.2
105.07064	0.3
106.06488	0.3
109.02863	0.4
113.05951	0.2
119.08552	0.4
120.08071	0.5
123.07951	0.7
125.37524	0.2
127.03905	0.6
127.11147	0.2
131.06096	0.3
132.06831	1.0
137.02359	0.6
146.08438	0.5
147.09164	88.2
148.09543	2.0
155.22792	0.3
157.06432	0.2
159.08060	0.3
159.09206	0.8
235.05994	0.4
281.14944	100.0
282.15247	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	281.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.4
55.01862	5.1
55.05501	10.2
57.03437	22.0
57.07073	2.5
61.07740	0.9
65.03929	1.6
67.05502	20.5
69.03416	2.0
69.07063	20.4
69.56402	6.9
71.04990	4.7
79.05484	23.1
81.03422	3.3
81.07049	13.9
83.04975	3.5
83.08620	2.9
84.85039	1.2
85.06537	24.4
91.05457	8.0
93.07042	14.2
95.04967	28.9
95.08607	9.4
97.06522	10.1
97.10181	3.1
98.23297	2.0
98.97578	1.4
99.04490	1.9
105.07011	5.5
107.04962	2.7
107.08575	5.4
109.06523	5.3
109.10152	4.1
111.04442	1.1
111.08137	1.4
111.11789	1.5
113.05999	98.0
114.06367	2.0
117.07037	2.3
119.08566	7.1
121.10155	13.9
123.04402	1.4
123.08072	2.5
123.11722	1.5
125.05983	100.0
125.09599	1.7
126.06373	1.2
128.06206	1.3
129.06993	3.5
130.08011	1.1
131.08589	3.3
133.10152	2.4
135.08052	4.2
137.09688	2.0
139.07491	1.7
139.11194	4.5
141.05511	1.9
142.07803	1.0
143.06973	5.8
143.08556	3.3
145.10115	2.0
147.07997	1.6
147.11710	2.4
149.05882	1.2
149.09639	3.5
149.13164	1.6
157.06543	1.3
157.10135	2.4
159.11679	6.1
161.09663	2.9
161.13264	1.8
163.11234	1.3
165.09142	4.3
169.10098	1.3
171.11746	2.1
173.09648	1.5
175.11194	1.2
177.12791	2.9
185.09505	1.2
185.13341	1.3
189.09160	2.4
189.12758	1.4
189.16385	1.4
191.10663	2.4
193.15930	2.1
199.14836	1.5
217.15906	3.4
221.09613	1.3
227.14363	1.9
235.16924	2.8
245.15370	8.3
245.18996	3.1
249.09027	1.2
263.16296	7.5
263.20132	1.6
281.08121	2.5
281.11652	4.7
281.17337	5.3
281.21054	1.1
298.76965	1.1
299.06320	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1746
Annotation	3,4-Epoxy-6-methylcyclohexylmethyl-3,4-epoxy-6-methylcyclo-hexanecarboxylate
Peak:m/z	Relative Intensity
51.77991	1.5
53.03946	2.0
55.01865	3.2
55.05504	14.5
56.26295	1.4
56.94091	1.8
57.03432	24.0
57.07066	2.8
59.66761	1.6
65.72452	1.4
67.05499	22.4
69.03410	1.7
69.07059	5.9
70.01962	4.6
70.02374	3.6
71.04992	3.3
79.05483	14.3
81.07046	11.4
83.04967	2.9
83.08600	8.5
85.06539	25.6
91.05466	8.7
93.07038	15.7
94.65765	1.5
95.04961	29.8
95.08595	13.1
97.06557	3.8
97.10163	4.8
105.07031	8.3
107.04941	3.2
107.08569	8.0
109.06514	5.8
109.10168	2.6
110.00948	1.5
111.08076	4.8
113.05996	100.0
116.98640	2.4
117.07012	2.9
119.08578	4.5
121.06462	5.6
121.10130	5.2
123.08056	7.3
125.09621	6.3
129.07022	2.2
129.69179	2.0
131.08586	2.0
133.10117	5.7
135.08075	2.1
139.07530	50.3
140.07872	2.1
145.10065	1.6
149.09615	4.5
151.07544	8.4
151.11186	3.0
155.08745	1.5
157.08653	1.9
161.09615	3.4
165.08968	2.7
175.09695	1.9
179.10735	1.8
191.10768	1.9
196.29916	1.6
199.14856	2.4
217.15930	4.4
235.16922	3.5
245.15331	12.7
253.51468	1.8
263.16376	10.7
263.20050	1.8
266.99939	2.3
277.00839	2.7
281.17484	6.3
299.06183	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	281.1747
Annotation	brefeldin A
Peak:m/z	Relative Intensity
53.03944	0.8
55.01873	1.4
55.05506	1.5
57.03436	22.2
57.07067	1.5
65.03934	1.3
67.05503	14.3
69.03424	1.2
69.07072	2.4
69.15881	1.7
69.16302	2.4
71.04992	2.7
79.05489	3.4
80.04144	0.5
81.03417	1.4
81.07047	3.6
83.04980	1.0
85.06541	25.2
86.06920	0.6
91.05458	3.2
91.27716	0.4
93.07036	3.8
95.04971	28.8
95.08605	1.9
96.05312	0.6
97.06544	0.9
97.10165	0.5
98.23271	0.9
105.07034	1.6
107.04949	3.2
107.08592	2.0
109.06516	2.7
109.10152	0.7
113.06007	100.0
114.06345	2.0
117.06998	1.4
119.08593	1.3
121.10134	2.4
123.04421	1.5
123.08093	0.6
125.05988	1.0
129.07014	1.2
131.08597	2.3
133.06485	0.8
133.10124	0.8
135.08032	2.7
135.11736	0.5
139.11186	0.9
143.08563	1.5
145.10138	2.8
147.08046	1.4
149.09647	2.5
151.07498	0.9
151.11111	0.5
155.08572	0.5
157.10176	1.0
161.09613	1.2
165.09096	1.9
167.08604	0.5
167.10701	1.6
171.11674	1.1
173.09686	0.9
175.72186	0.4
183.08086	0.6
185.13194	0.5
187.11189	0.5
189.09271	0.5
189.12794	1.5
191.10712	1.9
192.55919	0.4
192.66452	0.5
199.14832	0.8
203.12651	0.6
217.15796	2.3
227.09016	0.9
227.14384	2.7
235.16975	0.9
245.15338	9.8
263.16422	7.5
281.13739	2.3
281.17474	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2109
Annotation	12-Hydroxy-5,8,10-heptadecatrienoic acid
Peak:m/z	Relative Intensity
50.22606	1.5
53.03936	4.8
53.30831	2.0
55.01869	12.4
55.05511	88.6
57.03427	4.0
57.07069	5.0
59.04998	3.1
65.03945	2.2
67.05503	74.0
69.03431	10.5
69.06693	3.6
69.07066	61.8
69.25537	15.3
71.04981	14.5
73.86798	1.9
79.05490	59.7
80.05828	2.2
81.03419	2.5
81.07052	89.3
83.04978	12.0
83.08614	33.0
85.06538	7.0
91.05473	20.5
93.07040	66.9
95.04971	13.5
95.08604	70.2
97.06533	19.0
97.10167	65.4
98.23234	3.5
98.97586	2.6
99.08120	3.3
101.09714	2.2
105.07047	22.2
107.04906	2.7
107.07904	3.0
107.08592	42.5
109.06548	9.5
109.10148	33.2
111.08096	12.7
111.11705	3.6
117.07003	4.6
119.08573	23.9
121.10143	51.9
123.08047	35.0
123.11676	4.7
125.08705	3.5
125.09623	69.4
131.08533	4.4
133.06522	2.9
133.10120	15.4
135.08049	8.5
135.11690	16.7
137.09596	23.7
139.11182	30.1
141.09117	3.4
143.08598	2.6
143.10718	3.1
145.10135	6.3
147.11703	10.5
149.09599	5.0
149.13258	7.6
151.07535	8.2
151.11252	3.4
153.09097	5.8
153.12769	2.3
155.10667	2.4
159.11726	3.5
161.09657	4.7
161.13225	9.1
163.11194	2.7
165.09135	7.1
165.12715	2.6
167.10649	4.0
171.11725	3.4
173.11800	2.0
175.11234	3.7
175.14793	3.0
179.10699	3.1
179.14307	3.1
181.12277	3.4
185.13231	3.4
187.14865	2.2
189.11218	25.5
189.12782	3.1
189.16309	1.8
190.39085	1.8
193.12233	2.9
193.15935	2.2
195.13757	1.7
199.14839	3.2
203.17918	2.0
217.19524	4.4
227.17972	7.1
235.20532	5.1
245.19011	17.7
258.99496	2.1
263.20071	64.2
264.20541	2.3
266.99982	2.1
281.21112	100.0
282.21503	4.3
299.06125	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	282.0133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09412	1.8
56.96561	9.0
71.31168	1.5
71.95266	1.6
73.44055	1.4
95.08572	2.2
98.97579	100.0
112.82270	1.5
116.98620	77.3
119.01953	1.7
121.18983	1.6
134.09618	1.8
134.99651	38.9
152.99472	1.4
153.00679	7.4
177.00963	4.6
199.27879	1.6
205.00459	4.2
219.02089	10.3
220.02086	5.2
220.99376	1.7
222.29640	1.5
234.99915	4.1
236.98650	2.4
240.98790	6.0
257.97571	2.1
258.99765	55.7
259.99826	3.4
277.00800	92.6
278.01102	3.0
282.22211	3.5
283.00049	15.4
290.25754	1.7
300.02551	3.1
300.05942	3.3
301.00989	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	282.0137
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14260	0.8
52.75560	0.9
56.96558	9.3
60.30640	1.0
61.99968	0.8
63.88306	0.9
69.03448	1.0
69.90408	4.1
71.95264	1.6
75.50778	0.8
75.67666	0.9
84.09045	0.8
97.02892	1.1
98.97583	100.0
105.96023	0.9
116.98624	46.8
119.01913	1.4
133.10094	1.2
133.95952	1.0
134.99649	16.0
137.05962	1.3
137.19867	0.9
150.07751	3.0
153.00763	1.1
177.00932	3.0
204.10220	1.4
219.02003	3.8
222.11182	1.2
233.03513	1.3
234.99905	2.1
240.98813	3.5
246.11320	2.2
257.97623	1.4
258.99734	42.0
260.00018	1.1
261.03098	1.4
264.12354	3.4
277.00803	60.4
278.00983	2.7
282.13516	1.8
282.99911	9.2
299.98648	1.7
300.02264	1.3
300.97574	1.9
301.00916	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	282.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95718	2.1
53.03944	2.2
55.01863	2.4
55.70516	2.0
56.35693	1.7
56.96562	13.4
57.03433	6.6
61.02923	7.6
67.05493	2.5
69.03435	18.2
71.04993	3.0
71.12016	4.3
71.95239	2.0
73.02917	4.2
81.03419	8.1
85.02904	100.0
85.06538	15.4
91.03948	8.7
97.02898	17.9
98.97577	81.7
99.04460	4.1
103.03973	2.5
109.02887	6.8
116.98620	45.4
116.99404	3.6
119.01926	2.3
127.03899	20.4
134.99663	13.9
145.04959	43.0
150.07712	7.5
158.06537	2.1
159.06808	3.5
159.41035	2.2
163.06068	12.8
163.07297	2.4
177.07838	3.3
180.10529	2.5
219.02048	3.0
226.11104	5.4
229.10771	4.5
230.11087	2.2
231.01367	2.2
234.99678	3.9
240.98920	2.9
252.12593	11.4
258.99738	33.9
264.12634	5.3
270.13623	10.0
277.00818	58.0
278.00940	5.8
280.94205	2.4
282.13559	14.2
283.08051	4.0
283.13461	3.4
301.01093	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	283.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.7
55.01858	0.6
57.03429	0.7
61.02905	0.3
61.68511	0.2
65.03944	2.6
65.45068	0.2
66.24193	0.2
68.99797	0.3
69.03429	4.7
71.04987	0.8
73.02921	0.4
73.61919	0.2
73.65760	0.2
74.11890	0.2
76.96312	0.2
79.01857	0.2
79.06486	0.2
81.03412	10.4
81.07077	0.2
85.02902	4.6
95.04967	5.0
97.02886	2.0
99.04429	1.2
105.07026	0.2
106.84705	0.2
107.08659	0.3
109.02877	4.8
111.04423	1.7
121.02859	100.0
122.03182	1.5
127.03922	1.7
139.03891	7.8
180.03317	0.2
181.04971	0.2
197.17537	0.2
240.07806	0.4
265.07037	6.1
283.09988	1.6
292.99286	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77728	0.2
53.03944	1.2
55.01861	0.5
55.18633	0.2
57.03428	0.8
61.02918	0.3
65.03940	2.8
67.05497	0.5
68.99793	0.4
69.03434	4.5
70.06592	0.5
71.01358	0.4
71.04986	0.5
71.30540	0.3
81.03419	6.7
81.03908	0.4
81.07037	0.2
83.04999	0.4
85.02908	3.8
91.05472	0.2
93.03399	0.3
93.07053	0.2
95.04970	5.0
97.02891	2.3
99.04459	1.1
99.70270	0.2
103.05430	0.2
105.04507	0.2
105.07048	0.3
107.08628	0.2
109.02874	3.0
109.06532	0.2
109.10143	0.2
111.04447	2.3
112.07613	0.2
117.06991	0.2
121.02868	100.0
122.03195	1.6
127.03911	1.4
131.04887	0.4
135.08087	0.2
138.09134	0.2
139.03897	7.9
153.01834	0.2
177.07010	0.2
177.09073	0.2
187.04012	0.2
209.87131	0.2
251.07027	0.7
255.06512	0.3
265.07086	3.5
283.05820	0.5
283.08313	0.7
283.11542	0.8
283.16391	0.3
288.42117	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
55.01857	0.5
55.05504	0.6
57.03431	1.1
61.02913	0.6
65.03936	4.0
67.05502	1.0
69.03428	7.0
69.07063	0.4
71.01341	0.5
71.04983	0.6
71.32593	0.3
73.02920	0.3
78.64563	0.2
79.05493	0.8
80.02668	0.2
80.40042	0.2
81.03413	9.3
81.07042	1.0
83.01317	0.3
83.04985	0.3
85.02893	4.2
91.05478	0.3
93.03394	1.2
93.07030	0.8
95.04964	1.5
95.08605	0.9
96.39624	0.2
97.02887	2.8
97.06515	0.3
98.97575	0.3
99.04445	1.3
105.07040	0.4
107.04942	0.4
107.08606	1.0
109.02872	3.6
109.06498	0.2
109.10152	0.2
111.04436	0.7
111.09811	0.2
116.98618	0.3
119.08564	0.4
121.02861	100.0
121.10161	0.3
122.03187	1.9
123.04430	0.3
123.11671	0.2
127.03912	2.7
131.04910	0.3
135.08011	0.5
135.11678	0.8
139.03896	12.9
141.76984	0.2
145.10143	0.6
147.34259	0.2
151.03851	0.4
161.05968	0.2
163.11162	0.8
165.07027	0.4
167.08553	0.3
169.06502	0.3
177.06995	0.3
181.04974	2.7
181.06433	0.3
181.12256	0.4
183.06328	0.2
183.07976	0.3
194.07309	0.2
195.08110	0.7
197.05965	0.2
223.07564	0.8
225.05600	0.3
227.12794	1.2
237.05428	0.3
237.09145	0.2
239.06923	0.3
240.07829	0.6
251.06964	0.5
255.10196	0.7
265.07047	3.7
265.10434	1.4
268.07239	0.4
278.01178	0.3
283.06421	0.4
283.09659	3.8
283.15060	3.2
284.22046	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.1
55.01870	1.1
55.05500	0.8
56.96571	0.8
57.03420	0.9
61.02917	0.4
65.03947	3.5
67.01830	0.4
67.05502	0.8
68.99783	0.4
69.03435	6.3
70.06596	0.5
70.09938	1.3
71.04990	1.0
71.24006	0.4
79.05486	0.6
79.99228	0.4
81.03419	12.7
81.07053	0.5
83.04992	0.5
85.02908	5.4
93.03399	0.8
93.07012	0.6
95.04969	4.3
95.08575	0.5
97.02889	4.3
98.97595	0.7
99.04456	1.6
109.02889	5.1
111.04449	2.6
116.98598	0.9
121.02867	100.0
121.03881	3.3
122.03196	1.3
123.07972	0.4
127.03894	3.3
134.06006	2.5
134.99651	0.5
139.03893	8.9
145.06493	0.5
149.05977	0.6
151.03873	1.3
152.07095	3.3
163.07651	0.5
173.28165	0.4
176.49565	0.4
177.05460	0.5
179.07098	0.4
195.08003	0.4
205.05142	0.5
216.45494	0.3
217.05003	0.5
242.69931	0.4
251.07056	0.8
259.04913	0.6
265.07040	6.6
265.11795	0.6
269.45660	0.4
277.05917	0.7
283.05615	0.7
283.08127	0.9
283.12811	1.8
283.16281	0.8
304.04459	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.1
55.01865	0.8
55.05506	0.4
57.03432	0.9
61.02901	0.3
65.03938	3.2
67.05500	0.4
68.58630	0.2
68.99780	0.2
69.03432	4.0
69.07052	0.3
69.29276	1.0
69.29701	0.6
71.01317	0.3
71.04975	0.5
77.79831	0.2
79.05504	0.2
81.03416	7.4
81.07021	0.3
85.02909	5.3
93.03403	0.2
93.07031	0.5
95.04967	5.2
95.08624	0.3
97.02893	2.1
98.22609	0.2
99.04446	0.8
100.11223	0.3
105.07013	0.3
107.08648	0.2
107.95990	0.2
109.02878	3.2
111.04427	1.9
116.98726	0.2
121.02863	100.0
121.03870	3.1
122.03197	1.9
127.03921	1.5
139.03893	8.0
140.04637	0.4
145.10164	0.3
152.06194	0.3
165.07062	0.3
167.08559	0.5
181.04958	2.0
181.06389	0.3
191.14198	0.2
195.08057	0.8
196.17580	0.2
222.06844	0.2
223.07547	0.7
240.07809	0.5
249.10225	0.2
251.07069	0.3
265.07037	3.8
268.07288	0.7
283.10056	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	283.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.7
55.01865	1.1
55.05503	0.4
57.03435	1.3
57.98069	0.3
60.54169	0.3
61.02922	0.5
65.03934	3.1
67.05496	0.8
69.03426	6.2
69.07055	0.3
71.01353	0.4
71.04977	1.1
71.32594	0.3
73.02906	0.7
79.05492	0.4
81.03410	13.6
81.07039	0.4
81.13519	0.3
85.02898	5.8
85.47443	0.3
89.06014	0.3
91.05520	0.3
93.07043	0.7
95.04956	5.1
95.08589	0.4
97.02892	2.8
99.04435	1.5
105.07001	0.6
107.04942	0.7
109.02870	7.2
111.04469	1.9
119.08553	0.4
121.02858	100.0
121.03873	3.3
121.10141	0.4
122.03161	1.6
123.04427	0.5
123.07983	0.3
127.03900	2.2
131.04951	0.4
133.10172	0.3
139.03889	7.5
140.04642	0.8
155.07091	0.3
160.59172	0.3
163.07512	0.3
167.07062	0.3
181.04947	3.6
181.06387	0.4
195.08070	0.5
195.10178	0.9
227.06953	0.3
237.05432	0.5
251.06982	0.5
253.10739	0.3
255.06555	0.6
265.07043	7.6
283.05942	1.8
283.08484	1.2
283.09555	1.1
284.09818	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64069	0.2
52.38686	0.2
52.63046	0.2
53.03941	0.6
55.01872	1.4
55.05507	1.0
57.03432	1.9
59.05011	0.3
61.02896	0.3
61.38100	0.2
65.03934	2.4
67.05496	1.0
69.03427	1.6
69.07053	0.4
69.56709	1.1
69.57116	0.4
69.93507	0.2
70.56882	0.2
71.01349	0.4
71.04980	0.7
73.02904	0.4
79.05485	1.4
81.03414	2.7
81.07050	1.4
81.28167	0.2
83.01344	0.7
83.04963	1.2
83.08609	0.6
85.02905	2.5
85.06575	0.3
91.05487	1.1
93.07031	2.5
95.04963	2.8
95.08590	1.2
97.02893	1.1
97.06538	0.6
98.22594	0.2
99.04462	0.9
105.07010	0.9
107.04932	0.7
107.08570	0.8
109.02862	1.1
109.06500	0.5
109.10165	0.3
111.04442	2.0
111.08097	0.3
113.09665	0.4
117.07008	0.4
119.08585	0.8
121.02859	100.0
121.10139	0.7
122.03184	1.8
123.08066	0.4
127.03902	0.6
128.09694	0.2
131.04906	0.2
131.08560	0.4
133.10121	0.5
135.08047	0.2
135.11685	1.1
139.03876	3.1
139.07495	0.3
141.06947	0.2
145.10109	1.2
147.04347	0.2
149.13258	0.4
149.97188	0.2
151.07590	0.2
153.12743	0.7
155.08527	0.2
161.06000	0.4
163.11151	1.2
165.07164	0.2
173.09651	0.2
181.12193	0.5
191.10715	0.2
195.08015	0.4
196.42607	0.2
203.17967	0.2
209.11719	0.3
223.07726	0.2
227.12767	0.5
240.08171	0.2
247.16968	0.3
251.07195	0.2
265.06979	1.0
265.17911	0.2
268.07199	0.4
283.09570	1.1
283.15347	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.6
53.32477	0.8
55.01871	26.2
55.05493	1.5
57.03436	6.0
65.03929	4.4
67.05495	2.1
69.03431	8.1
69.07054	1.5
69.63534	0.7
70.37123	0.8
70.42596	2.1
71.04977	1.6
73.02905	0.8
75.04483	2.4
79.05492	2.0
80.36445	0.7
81.03419	12.1
81.07046	2.7
83.04960	0.9
85.02902	6.3
86.98992	0.8
87.54818	0.7
89.03925	3.7
91.05479	12.5
93.03393	1.2
93.07041	7.1
95.04963	7.5
95.08600	2.4
97.02886	5.2
97.06558	1.5
99.04426	1.8
100.81937	0.8
103.05450	12.0
105.03387	1.0
105.07029	2.5
106.04160	1.8
107.04937	3.4
109.02875	6.6
109.06509	1.1
110.03703	1.0
111.04452	3.2
117.03410	6.1
117.07025	1.0
118.04154	2.2
119.04936	3.4
119.08582	1.3
120.05729	1.8
121.02865	100.0
121.03871	3.2
121.06498	14.1
122.03199	2.7
123.04436	4.1
123.08095	1.0
125.06028	1.0
127.03914	5.0
130.04138	1.9
131.04930	8.4
131.08560	1.3
133.02844	1.1
133.06520	1.5
134.03651	4.7
135.04401	1.4
135.08038	0.9
136.05182	0.9
137.06021	1.0
137.09637	1.6
138.03148	1.2
139.03896	9.2
145.02846	11.1
145.10155	0.9
147.04436	4.6
147.07990	0.7
148.05217	2.7
149.05981	14.4
149.68298	0.8
151.03899	7.6
151.07477	1.3
153.05505	4.9
153.06606	0.7
159.04405	0.9
162.03192	1.6
163.03929	2.7
163.07545	5.6
164.04718	0.8
165.09071	1.0
166.06248	10.8
167.07031	2.0
167.08476	0.7
171.06416	0.8
175.07455	0.9
176.04631	3.9
177.03899	1.8
177.05467	38.5
178.05910	1.2
181.04964	8.1
181.08618	3.4
191.07033	23.7
192.07446	0.8
193.04959	1.4
194.05731	13.2
195.08090	1.0
197.21231	0.8
207.06511	2.0
209.08080	72.7
210.08467	2.9
237.57167	0.9
251.06995	2.4
253.10703	5.3
255.06577	1.6
265.07089	6.4
265.10623	2.7
268.07343	1.4
283.05963	2.8
283.09549	3.3
283.11850	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	283.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.2
53.32522	1.9
55.01874	57.7
55.05514	91.8
57.03440	82.6
57.07085	9.8
58.56409	1.8
59.05005	19.7
65.03938	5.4
67.05507	56.0
69.03412	6.6
69.07070	17.1
69.94659	3.1
69.95036	4.2
71.01349	6.1
71.05003	17.7
71.08644	1.9
77.03937	2.1
79.05495	89.0
81.03423	43.1
81.07059	75.7
83.00874	3.1
83.01347	56.6
83.04984	55.2
83.08620	52.6
85.02909	16.2
85.06522	6.0
90.92525	1.9
91.04948	3.2
91.05484	51.0
93.07048	94.8
94.07356	2.2
95.04972	29.0
95.08605	33.4
97.02882	8.4
97.06526	19.6
97.10150	5.5
99.04465	13.2
99.08081	2.1
103.05450	3.3
105.04501	3.8
105.06365	2.9
105.07037	39.7
107.04955	35.8
107.08598	54.2
109.02876	1.9
109.06525	27.5
109.10143	9.5
110.88525	1.9
111.04434	14.0
111.08098	7.1
113.05949	3.1
117.01065	2.0
117.07015	30.6
119.08575	34.0
121.06513	13.2
121.10148	28.7
123.08073	36.7
123.11735	2.1
125.05984	7.9
125.09626	4.4
128.06229	2.5
128.85640	1.9
129.07014	7.5
130.07765	6.8
131.04883	2.6
131.08578	11.9
133.10156	10.6
135.08080	8.7
135.11687	44.7
137.09583	5.2
139.07526	2.9
139.11194	2.0
140.47566	1.7
143.08560	4.5
145.06549	3.1
145.10126	63.0
147.08037	5.8
147.11714	3.5
149.09642	3.0
153.12732	19.1
155.08549	6.2
163.11185	100.0
164.11565	3.3
173.09569	11.5
181.12225	15.8
191.10675	10.5
209.11737	27.0
209.13496	2.3
227.12790	18.4
283.10458	3.3
283.15405	85.3
283.26279	2.9
284.15836	5.0
284.33112	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.7
55.01621	3.0
55.01873	47.9
55.05514	81.5
57.03438	73.1
57.07072	7.7
59.05009	15.0
65.03940	3.5
67.05504	53.1
69.03423	5.6
69.07067	16.2
69.21966	10.3
71.01345	5.4
71.04993	14.4
71.08620	2.1
73.06544	1.7
79.05495	75.0
81.03417	40.4
81.07053	64.2
83.00869	3.5
83.01339	46.5
83.04982	60.3
83.08624	46.3
85.02893	13.8
85.06566	4.2
89.06042	5.5
91.05482	49.9
93.07046	98.2
94.07393	2.3
95.04972	25.4
95.08611	28.1
97.02885	7.5
97.06539	17.6
97.10152	5.2
99.04465	10.9
103.05473	2.4
105.04486	2.0
105.07024	33.7
107.04953	27.6
107.07932	3.2
107.08596	44.7
109.06533	23.3
109.09441	2.0
109.10146	6.7
111.04441	12.2
111.08082	6.6
115.05463	2.8
117.07021	25.7
119.08585	29.1
120.46798	1.7
121.06526	11.3
121.10145	28.1
123.04458	2.5
123.08073	31.2
123.11718	3.0
125.05999	8.0
125.09621	4.8
129.06995	4.7
130.07771	7.1
131.04959	3.0
131.08556	10.2
133.10152	8.9
135.04390	2.0
135.08047	7.4
135.11684	57.2
136.12047	2.3
137.09621	6.9
139.07536	3.0
145.06421	2.0
145.10129	55.6
146.10490	2.8
147.08044	9.1
149.06027	2.0
153.06984	2.2
153.12743	13.8
155.08514	5.5
157.10144	1.9
163.11180	100.0
164.11487	3.5
167.15144	1.9
173.09608	13.7
181.12212	16.8
191.10693	11.0
209.11688	24.8
209.13474	2.5
227.12741	20.0
283.10025	2.8
283.15421	90.7
283.20496	3.5
283.23859	3.7
284.15845	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	283.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81644	2.6
55.01874	4.9
55.05509	36.1
57.03441	5.0
65.03931	2.5
67.00420	2.5
67.05503	74.4
69.07064	38.7
69.27549	15.0
69.27963	7.7
71.04994	6.2
73.51595	2.7
75.91300	2.4
79.05486	23.4
81.07055	70.0
83.04989	4.4
83.08618	33.7
85.06544	6.6
91.05481	11.8
93.07041	28.4
95.04921	2.6
95.08603	100.0
95.09212	5.5
97.06534	13.2
97.10167	21.1
98.23413	3.0
99.08058	3.6
105.07030	6.4
107.08595	14.4
109.06534	4.4
109.10153	33.0
111.04397	3.5
111.08084	15.6
113.09618	7.0
116.98602	2.7
117.07063	2.8
119.08591	6.8
121.10151	10.8
123.08050	5.6
123.11692	3.2
125.05999	4.1
125.09595	15.1
127.07578	14.0
129.09085	5.9
131.04900	3.5
131.08653	5.1
133.10127	3.3
135.08067	6.0
137.05928	2.9
137.09621	3.8
139.07498	3.5
139.11165	7.9
141.09093	6.7
143.07074	10.8
145.10167	3.5
147.11624	3.7
153.09106	3.9
155.10698	3.3
157.08588	6.8
157.20222	3.7
159.10158	13.5
159.17734	2.7
165.07008	6.3
167.08649	4.9
173.11801	6.6
175.09711	9.2
177.07065	3.9
187.35033	2.6
189.11275	9.9
194.07298	2.9
195.08163	7.1
201.16385	6.1
223.07555	8.0
225.05530	3.8
237.18445	5.8
240.07797	4.8
247.16954	5.5
251.07031	3.6
255.10258	6.1
265.08694	3.5
265.18091	11.4
283.09613	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0464
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60764	0.6
56.96572	1.1
60.05649	3.7
63.00062	0.8
70.06593	6.9
70.11166	2.6
74.06087	1.9
79.22846	0.6
81.03367	0.7
81.07071	1.1
84.08177	0.9
86.09702	0.8
87.50999	0.6
91.05473	10.3
97.07649	0.7
98.06026	0.9
98.97612	1.0
101.00893	1.9
110.03503	0.9
112.07605	0.7
116.07080	1.3
116.98650	0.8
119.01911	7.8
119.04942	7.5
128.04535	0.7
130.08630	2.3
130.09602	0.8
134.08163	1.4
135.03061	1.9
136.06221	0.9
136.07593	1.0
137.02977	2.2
137.05972	30.8
148.09677	7.4
151.03944	1.0
152.05666	43.4
153.00818	0.7
153.04097	4.1
158.99948	1.2
173.07791	0.7
175.11890	3.9
177.00941	14.5
178.01074	2.1
182.00043	0.8
189.11964	0.9
197.08945	0.8
201.00949	1.2
212.10655	1.0
215.09877	1.8
217.04071	2.6
219.02010	20.5
220.02032	3.4
224.11157	1.3
225.01041	2.6
233.11731	7.1
233.61832	1.5
234.03610	0.9
234.11533	0.9
236.00095	0.6
243.01923	7.6
244.02275	1.0
252.83295	0.7
260.04681	1.8
261.03055	100.0
262.03171	9.5
279.00809	1.5
283.99969	1.1
284.04694	2.4
284.14893	25.6
284.29324	1.0
285.02762	0.8
285.14896	0.9
302.00980	1.1
302.05814	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0915
Annotation	Evoxanthine
Peak:m/z	Relative Intensity
55.97960	0.2
67.05467	0.3
69.07039	0.5
70.88408	0.4
77.57449	0.2
83.08588	0.7
91.05479	1.3
95.08557	0.3
111.08089	0.2
116.02310	0.2
125.91077	0.2
135.59561	0.2
153.06941	0.4
157.08669	0.2
157.10052	0.2
165.06929	0.3
168.05705	0.3
168.07997	0.4
171.06760	0.4
181.10167	0.2
184.07567	0.6
193.06337	0.2
195.06744	0.7
196.07568	1.7
196.18875	0.1
197.08365	0.5
198.05458	0.7
199.06200	0.3
209.08276	0.3
210.06822	0.4
210.09114	0.5
211.06056	0.4
211.07750	0.3
212.07042	5.6
213.07811	6.0
214.08214	0.4
221.05960	0.3
223.06258	1.7
224.07033	4.1
225.07645	0.6
226.04962	28.0
227.05330	1.2
238.08580	0.6
239.07158	0.2
239.09343	2.3
240.06516	10.9
241.07297	10.4
242.07799	0.7
251.05856	0.8
252.06503	4.4
253.08644	0.5
254.08098	8.2
255.08884	7.5
256.09714	1.3
257.33356	0.2
266.08124	3.2
267.06363	0.3
267.08896	4.2
268.05997	0.4
269.06787	2.3
270.07129	0.2
271.08359	0.4
283.08368	0.2
284.09143	100.0
285.09381	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	284.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	0.9
59.04990	1.7
61.02916	1.2
63.55187	0.5
69.03434	0.4
71.31298	0.5
71.31733	0.7
79.06966	0.4
84.04501	0.4
85.02898	2.1
86.00654	0.4
87.04467	8.8
90.76566	0.4
97.02898	1.0
98.97585	5.5
101.00269	0.6
101.00867	3.1
105.05508	7.8
116.98608	2.3
119.01912	7.1
132.01134	0.6
134.05998	0.6
134.99799	0.6
135.06711	0.4
136.06174	2.4
137.02957	1.2
140.10759	0.6
140.98828	0.9
151.02147	1.1
152.05702	0.5
152.07014	0.7
153.01845	0.5
158.99933	1.3
177.00946	12.6
178.01073	1.2
182.99945	0.5
201.00926	2.7
217.04147	2.7
219.02020	22.1
220.02209	1.5
225.00967	1.3
243.01945	8.1
244.02213	1.1
259.05029	0.5
260.04706	1.5
261.03061	100.0
262.03198	11.9
263.03586	0.8
279.00705	3.2
284.00156	1.4
284.04669	2.5
302.01205	1.9
302.05762	0.6
303.00964	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0756
Annotation	Acacetin
Peak:m/z	Relative Intensity
53.03922	0.3
54.54615	0.2
55.01849	0.6
55.05510	1.8
56.35541	0.2
57.03436	3.1
57.07063	0.2
65.03928	0.2
67.01857	0.3
67.05170	0.2
67.05496	2.6
69.03432	0.4
69.07052	0.9
70.48930	0.6
71.04973	0.6
79.05120	0.2
79.05491	2.5
81.02984	0.3
81.03417	4.5
81.07061	2.9
83.04993	1.1
83.08625	2.2
85.02898	4.7
85.06510	0.4
89.82111	0.2
91.04958	0.2
91.05478	2.8
93.07040	2.0
95.04960	2.0
95.08597	1.4
97.02832	0.3
97.06529	0.3
97.10153	0.4
103.05449	0.5
104.50395	0.2
105.07022	3.5
107.04903	0.4
107.08562	0.8
109.06499	0.7
109.10135	0.3
111.08080	1.7
113.05965	0.4
115.05437	1.2
119.08592	1.6
121.06453	0.2
121.10139	1.0
123.04401	0.2
123.08044	0.4
123.11613	0.2
125.09632	0.2
129.07008	0.9
131.04932	0.2
131.08559	1.2
133.06494	2.5
133.10118	1.0
135.04396	0.5
135.11768	0.2
137.06003	1.1
137.09622	0.3
142.07745	0.3
142.69342	0.2
143.04884	0.6
145.10104	0.6
147.08041	0.3
147.11696	1.4
149.09578	0.7
151.03856	0.4
153.01805	2.8
157.10135	1.1
159.04514	0.2
161.05977	3.2
165.06985	0.4
165.12755	0.4
169.10237	0.3
171.02844	0.2
175.11209	1.5
179.08463	0.5
181.06491	0.2
182.07320	0.2
193.06380	0.3
193.12247	5.6
199.14799	0.2
207.08102	0.4
210.06679	0.4
211.13275	3.9
213.05505	0.3
220.01332	0.2
221.05952	0.4
224.08374	0.3
225.09055	1.3
235.07509	0.7
239.07120	0.2
239.10635	0.4
239.17969	0.5
241.04906	0.5
242.05725	36.5
243.06102	2.0
253.08530	1.7
257.08194	0.3
257.11765	0.2
267.10172	0.8
270.05203	17.0
271.05643	1.0
285.07556	100.0
285.17004	1.9
286.07901	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	285.0756
Annotation	Acacetin
Peak:m/z	Relative Intensity
54.54393	0.2
55.05496	0.4
57.03404	0.6
67.01833	0.5
67.05487	0.4
68.99796	0.2
69.52290	0.7
69.52698	0.3
75.56627	0.2
79.05462	0.5
81.03414	1.1
81.07041	0.6
83.08591	0.3
85.02887	0.7
91.05500	0.9
93.07028	0.4
95.04945	0.4
95.08582	0.2
105.07021	0.6
111.08097	0.2
115.05458	0.3
119.04945	1.8
119.08505	0.3
120.05685	0.4
121.02843	0.6
121.10062	0.2
124.01570	2.8
133.06511	0.2
133.10089	0.3
137.05968	0.4
145.02875	0.8
147.11707	0.2
151.03831	0.2
157.06453	0.2
157.10054	0.2
160.05223	0.2
161.06056	1.0
167.03409	4.0
169.06570	0.2
175.11096	0.2
181.06503	0.2
185.04437	0.4
186.06795	0.3
187.03845	0.9
193.12230	0.9
196.05214	0.4
197.05977	1.4
211.13271	0.6
213.05531	1.3
214.06099	0.5
224.04623	0.4
225.05444	0.5
225.09045	0.3
235.07545	0.2
239.10457	0.2
241.05043	0.2
242.05736	21.1
243.06198	1.0
253.08582	0.5
257.08154	0.2
266.70471	0.2
267.10135	0.3
270.05222	7.5
271.05692	0.3
285.07562	100.0
286.07910	6.0
286.11099	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0756
Annotation	GENISTEIN, 8-METHYL
Peak:m/z	Relative Intensity
53.03932	1.1
55.01865	2.6
55.05513	1.9
57.03432	2.1
57.07073	1.2
65.03926	0.7
67.01849	0.9
67.05499	2.5
68.90565	0.2
68.99782	0.7
69.03424	1.5
69.07069	0.9
70.71358	0.2
71.04982	0.7
71.31873	0.5
75.29489	0.2
75.46474	0.2
79.05489	6.0
80.62237	0.2
81.03414	4.7
81.07053	3.3
83.01351	1.2
83.04966	1.1
83.08615	2.2
85.02901	4.0
85.06559	1.4
87.04440	0.3
91.05473	5.6
93.03388	1.0
93.07043	1.6
94.04183	0.7
95.04974	2.8
95.08611	2.3
97.02903	0.5
97.06535	0.4
97.10168	0.6
100.11263	1.5
100.13648	0.3
103.05469	2.9
105.07027	11.4
107.04935	1.6
107.08577	1.3
108.02073	0.3
109.02972	0.3
109.06512	1.0
109.10165	0.7
111.04453	0.3
111.08089	1.3
113.06013	0.7
115.05451	8.6
117.07034	0.7
119.04941	5.0
119.08564	2.0
121.02859	2.0
121.10138	0.8
122.03638	1.8
123.04409	0.5
123.08055	0.9
123.11700	0.3
125.09592	0.4
128.06203	0.4
129.07001	0.9
130.13071	0.2
131.04913	1.8
131.08569	1.0
133.06490	4.7
133.10124	0.8
135.04398	1.1
137.05971	14.5
141.06992	0.5
142.07794	0.2
143.04938	1.4
143.08594	0.5
145.02829	1.3
145.06541	0.4
145.10150	0.7
147.08041	0.4
147.11700	1.4
147.32851	0.3
149.02371	0.4
149.05994	0.6
149.09637	0.7
150.06749	0.5
151.03906	6.5
151.05003	0.7
151.11176	0.3
153.05373	0.5
153.06996	0.3
155.08560	0.6
157.10197	1.5
159.11745	0.4
161.05972	26.8
162.06366	1.0
163.03906	0.8
163.07556	0.7
165.01797	0.3
165.07024	1.1
165.12756	0.5
167.03395	8.6
168.05780	0.3
169.06413	0.3
169.10158	0.4
173.05931	0.3
175.07526	0.6
175.11198	1.2
178.07805	1.6
179.08525	3.9
181.06491	1.5
182.07288	1.1
183.08041	0.8
183.11636	0.3
185.04494	0.3
185.13239	0.8
189.09161	0.3
190.60715	0.2
193.06429	0.6
193.10361	0.4
193.12206	4.2
195.07886	0.4
196.08842	2.0
197.09474	0.6
199.07516	0.5
201.19623	0.9
206.07237	0.3
207.08058	3.5
209.06058	0.5
209.09657	0.4
210.06815	1.0
211.07562	1.1
211.11334	0.5
211.13226	2.9
213.05533	0.4
213.16502	0.2
221.06210	0.5
223.07509	0.4
224.08319	3.1
225.09074	3.6
226.09827	0.4
227.06989	0.6
228.07574	0.3
235.07507	7.9
236.08241	0.4
237.05460	0.3
238.06255	0.3
239.07092	0.7
239.10646	3.5
242.05829	0.3
242.09438	0.6
243.10074	0.3
249.09158	0.5
249.18591	0.6
252.07805	2.1
253.08595	4.7
255.06656	0.4
256.07184	0.2
257.08078	1.1
257.11777	0.7
267.10132	8.2
268.10559	0.5
270.05209	0.7
270.08942	1.0
283.05936	0.5
285.07602	100.0
285.11163	17.8
285.16928	2.2
285.21664	1.2
286.07990	5.4
286.11520	0.8
286.17523	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0757
Annotation	Oroxylin A
Peak:m/z	Relative Intensity
51.02377	0.1
53.03938	0.3
55.01879	0.5
55.05510	1.0
57.03431	1.1
65.03924	0.4
67.01860	1.3
67.05500	1.1
68.99790	0.4
69.03416	0.4
69.07061	0.3
69.78835	0.4
71.04966	0.2
79.05488	1.6
81.03413	2.1
81.07059	1.2
83.01325	0.5
83.04961	0.5
83.08623	0.8
85.02902	1.7
85.06535	0.1
91.05478	2.6
93.01269	0.1
93.03394	0.4
93.07038	0.8
93.59378	0.1
94.04159	0.1
95.04959	0.9
95.08596	0.7
97.02888	0.2
97.06529	0.2
97.10120	0.2
98.22675	0.2
101.05986	0.1
103.05466	0.8
105.07023	2.4
105.07725	0.1
107.04960	0.5
107.08608	0.4
109.06480	0.4
109.10154	0.2
111.04430	0.2
111.08080	0.4
113.05976	0.1
115.05450	1.6
117.06973	0.2
119.04938	4.2
119.08558	0.7
120.05247	0.2
121.02858	2.2
121.10134	0.5
122.03635	0.4
127.45896	0.1
129.07033	0.3
131.04916	0.4
131.08577	0.4
133.06490	0.9
133.10144	0.4
135.04407	0.2
137.05969	3.1
141.01770	0.3
141.06892	0.1
143.03346	0.1
143.04900	0.3
143.08583	0.2
145.02821	1.1
145.10077	0.3
147.04323	0.1
147.08047	0.1
147.11682	0.5
149.02353	0.3
149.09665	0.3
150.06787	0.1
151.03888	1.2
151.05022	0.2
153.06987	0.1
155.08553	0.3
157.10109	0.5
159.11758	0.2
161.05977	5.0
162.06374	0.2
163.03903	1.0
165.01842	2.1
165.07014	0.5
167.03391	8.5
168.03789	0.2
168.05707	0.2
169.06479	0.3
169.10146	0.1
171.11647	0.2
173.05966	0.1
175.11171	0.5
178.07782	0.3
179.08540	0.5
181.06458	0.4
182.07130	0.2
183.02911	0.6
183.07985	0.2
185.04456	0.2
187.03894	0.4
193.12251	1.7
196.08849	0.5
197.06046	0.6
197.09625	0.3
197.13208	0.1
199.07655	0.1
199.14777	0.2
201.05511	0.2
207.08031	0.8
209.05998	0.1
211.07512	0.4
211.11392	0.2
211.13268	1.2
221.05931	0.2
224.08284	0.6
225.09087	0.8
227.06985	0.2
229.04971	0.2
235.07545	1.5
236.08025	0.2
237.05466	0.2
238.06233	0.1
239.07016	0.3
239.10657	0.8
239.18158	0.1
243.06497	0.3
247.06000	0.5
252.07742	0.2
253.08508	1.0
255.06606	0.2
256.07214	0.1
257.08099	1.4
257.11633	0.2
259.06168	0.2
267.06354	0.2
267.10147	1.9
267.20737	0.2
270.05127	0.4
283.05994	2.9
284.06595	0.2
285.07559	100.0
286.07907	5.2
286.11047	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	285.0758
Annotation	Glycitein
Peak:m/z	Relative Intensity
52.47342	0.1
53.03944	0.3
55.01865	0.3
55.05489	0.2
57.03428	0.5
60.52303	0.1
65.03940	0.3
67.01855	0.2
67.05491	0.3
68.99796	0.8
69.03416	0.2
71.04977	0.2
71.13499	0.2
75.36234	0.1
76.28014	0.1
79.05493	0.6
81.03415	1.4
81.07047	0.4
83.01341	1.4
83.04984	0.2
83.08604	0.3
85.02897	0.4
91.05479	2.2
93.03417	0.2
93.07035	0.3
95.04983	0.6
95.08600	0.2
97.02879	0.4
103.05480	0.2
105.07025	0.8
105.07632	0.1
107.04903	0.1
111.04417	0.1
111.08066	0.1
115.05463	0.7
119.04945	4.9
119.08611	0.3
121.02861	1.9
121.10137	0.2
122.03679	0.1
125.02274	0.1
129.06969	0.1
131.04955	0.2
131.08598	0.2
133.06483	0.3
135.04366	0.1
137.05989	1.0
139.03909	0.4
141.06955	0.1
143.03371	0.2
145.02849	1.8
147.11671	0.2
149.02342	0.4
151.03888	0.4
153.06998	0.2
155.08533	0.2
157.04942	0.2
157.10101	0.2
161.05992	1.9
163.03914	0.9
165.01791	0.2
165.07013	0.4
167.03403	9.8
167.07034	0.2
168.03728	0.2
169.00381	0.1
175.11229	0.2
178.07784	0.1
179.08542	0.4
181.06401	0.2
182.07289	0.1
183.08089	0.1
185.04463	0.3
193.12285	0.8
196.08835	0.2
199.14815	0.4
202.39613	0.1
207.08046	0.2
211.07468	0.4
211.13261	0.3
213.05338	0.1
224.08321	0.2
225.09094	0.1
235.07458	0.5
239.07063	0.4
239.10669	0.2
242.05685	0.2
243.06508	0.4
253.08540	0.3
257.08060	0.7
258.05264	0.6
267.10120	0.4
267.21365	0.1
269.04401	0.1
270.05270	0.5
283.06009	0.4
284.06808	0.2
285.07565	100.0
286.04758	0.6
286.07864	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	285.1121
Annotation	2'-Hydroxy-4,4'-dimethoxychalcone
Peak:m/z	Relative Intensity
53.03934	2.4
55.01875	9.6
55.05511	3.2
57.03439	3.5
59.06750	0.7
65.03938	3.1
67.01873	2.0
67.05508	4.3
69.03430	5.3
69.03735	0.9
69.07059	2.6
71.04978	1.5
73.38956	0.7
79.05494	18.2
81.03416	5.2
81.07059	7.5
83.04990	2.2
83.07624	0.8
83.08620	2.3
85.02910	5.7
85.06512	1.1
85.39530	0.7
91.05476	11.3
93.03397	2.5
93.07041	3.2
94.04183	2.7
95.04975	4.9
95.08576	3.3
97.02866	1.3
97.06543	1.8
98.22475	1.3
103.05470	9.9
104.95111	0.7
105.04488	0.8
105.07035	41.2
107.04966	5.2
107.08585	3.2
109.06481	3.9
109.10126	1.5
111.04430	1.2
111.08066	1.5
113.92760	0.7
115.05458	33.8
116.05804	0.8
117.06998	1.1
119.08565	3.9
121.02851	1.1
121.10148	1.8
122.03641	5.6
123.04427	2.7
123.11721	1.1
129.07018	1.7
131.04916	3.6
131.08533	2.0
132.05721	0.8
133.06496	19.5
133.10138	2.0
135.04411	4.6
135.08092	1.3
137.05980	55.3
138.06317	1.4
141.05495	0.9
141.06979	1.3
142.07803	0.7
143.04913	6.1
143.08556	1.4
145.10118	1.7
147.04410	0.8
147.08040	0.8
147.11668	2.9
149.06035	1.7
149.09618	1.4
150.06754	2.5
151.03912	27.9
151.05023	2.1
153.05585	1.4
153.07011	2.4
154.07784	1.5
155.08505	1.0
157.10156	1.7
159.11716	1.3
160.05225	1.9
161.05978	100.0
162.06310	2.8
163.07529	1.8
165.07013	3.1
165.12685	1.4
167.08621	2.0
169.06569	1.1
169.10161	3.5
171.11687	1.2
173.13292	0.9
175.07590	1.0
175.11208	1.9
178.07756	6.7
179.08572	15.0
181.06482	5.1
181.10008	1.0
182.07285	3.3
183.08023	1.1
183.11607	1.4
189.06932	1.4
192.05653	1.4
193.06532	1.4
193.10358	1.3
193.12242	5.3
194.07318	0.7
195.08023	2.7
196.08821	6.9
197.05978	1.4
197.09613	5.7
197.13290	1.2
198.06757	0.8
199.07567	1.9
199.14717	1.6
206.07281	1.5
207.08055	14.9
208.08643	1.0
209.05978	1.9
210.06746	3.0
211.07600	3.7
211.11237	1.8
211.13264	4.5
211.14961	1.2
221.05934	2.3
221.09525	2.1
223.07497	1.1
224.08305	12.7
225.09113	12.2
226.09592	0.7
227.07030	2.9
227.17885	0.9
228.07657	0.8
229.08577	1.1
234.06824	0.8
235.07533	27.1
236.08022	2.1
237.05411	1.6
239.06982	1.3
239.10677	14.4
242.05667	1.4
242.09299	1.3
249.09164	3.4
252.07840	6.7
253.08592	14.3
254.09050	0.9
255.06534	2.1
256.07373	1.6
257.08047	0.9
257.11740	2.5
267.10159	34.2
267.21030	1.9
268.10440	1.1
270.08749	3.6
285.07758	5.0
285.11191	63.3
285.16910	3.8
285.22070	5.6
286.11725	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	285.1119
Annotation	2'-Hydroxy-4,4'-dimethoxychalcone
Peak:m/z	Relative Intensity
53.03934	2.5
55.01870	3.5
56.17324	0.5
57.03434	3.4
61.02925	4.5
65.03963	0.7
67.05503	1.5
69.03429	10.0
69.07064	0.6
70.05548	0.5
71.04984	1.4
73.02911	2.3
77.03918	1.0
79.05507	3.7
81.03416	5.3
81.07061	0.8
83.01381	0.5
83.05000	0.6
83.83762	0.5
85.02905	53.0
85.86352	0.5
87.04465	1.5
91.03978	2.7
91.05476	3.2
93.03413	0.7
93.07047	1.0
94.04182	0.6
95.04961	4.3
97.02897	12.7
99.04458	2.1
103.05466	100.0
104.05795	1.8
104.06357	0.7
105.03394	0.6
105.04546	1.2
105.07035	11.6
107.04945	8.8
109.02881	4.2
115.03987	0.5
115.05456	9.5
117.07024	3.0
119.08617	2.7
120.05721	0.6
121.02825	0.7
121.06516	2.7
122.03642	1.6
123.04446	6.0
124.51862	0.6
127.03915	10.9
128.06213	1.8
129.07002	2.3
131.04926	69.8
132.05292	1.7
133.02858	0.8
133.06483	5.2
135.04384	2.5
135.08057	2.2
137.05972	17.5
138.06395	0.7
141.07034	0.8
143.04913	4.6
143.08549	2.0
145.04964	12.4
145.06425	1.6
147.04451	1.3
147.08032	2.8
148.05209	3.6
149.05981	22.9
151.03897	3.9
151.07678	0.6
152.06200	0.8
153.01816	1.7
153.05592	0.7
153.06978	2.7
154.07797	1.5
155.08551	0.5
159.05173	0.5
161.05980	18.7
161.07344	1.0
162.06732	2.8
163.06041	1.4
163.07539	26.7
164.08344	12.2
165.07019	2.3
167.08540	1.1
169.10124	1.1
171.08057	2.0
173.09622	0.6
174.26711	0.6
175.07509	0.8
178.06238	1.3
178.07751	1.4
179.07077	0.9
179.08545	3.4
181.06500	3.3
182.07259	5.5
183.08070	1.4
184.05238	1.0
185.05791	0.7
185.09575	0.8
193.06464	1.5
193.12183	0.6
196.08871	1.2
197.05960	0.5
197.09592	2.7
199.07530	5.6
207.08072	4.2
209.05977	0.9
210.06784	4.2
211.07498	3.2
212.04703	2.5
213.05330	0.9
213.09088	0.6
214.09848	1.2
215.07027	0.6
221.06009	0.7
223.07408	0.6
224.08311	2.9
225.09059	5.9
227.07024	15.6
227.17888	0.6
228.07706	0.9
229.08583	0.8
229.12230	2.3
235.07484	4.9
239.10736	2.9
241.08575	1.1
242.09357	3.0
243.10187	2.4
249.09105	0.9
252.07809	1.6
253.08539	3.1
256.07230	0.9
257.11691	2.2
267.10168	9.2
269.24237	0.5
270.08920	0.6
285.11197	37.2
286.11578	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.112
Annotation	Aurentiacin A
Peak:m/z	Relative Intensity
51.02383	0.4
53.03942	1.4
55.01864	1.5
55.05517	0.6
67.05492	0.9
69.03410	1.9
69.62559	2.2
71.01345	0.4
73.05679	0.4
77.03923	0.6
79.05478	2.4
81.03421	3.1
81.07057	1.5
83.08614	0.4
85.02906	1.1
91.05466	2.2
93.03397	0.7
94.04197	0.6
95.04966	1.9
95.08641	0.7
97.02886	0.6
103.05462	100.0
104.05751	2.6
105.07026	4.7
107.04942	5.3
107.08575	0.6
109.02813	0.7
109.06489	0.6
111.08146	0.5
115.05463	4.6
117.06995	0.9
119.08578	0.9
121.02863	1.1
121.06512	1.3
122.03639	1.1
123.04416	4.4
127.03893	0.6
131.04918	61.6
132.05287	1.5
133.02852	0.5
133.06454	2.3
133.10118	0.5
135.04433	0.7
135.08052	2.8
137.05975	13.5
143.03281	0.5
143.04907	3.6
145.06490	0.5
147.04372	0.5
147.08054	0.4
147.11664	0.5
148.05188	2.2
149.05962	8.5
151.03897	1.1
153.01820	6.9
153.02910	0.6
154.07672	0.5
161.05969	11.2
162.06726	1.1
163.07532	23.2
164.08337	6.6
165.05566	0.4
165.06995	1.1
166.06204	0.5
175.07639	0.7
178.06323	0.5
178.07765	0.9
179.08549	2.6
181.06450	0.9
182.07230	1.4
193.06593	0.5
193.12215	0.9
196.08807	0.8
197.09602	0.6
199.07558	1.1
207.08052	2.3
210.06795	1.4
211.07510	1.2
211.13298	0.8
212.04738	0.5
221.05965	0.5
224.08362	1.0
225.09053	2.4
227.06966	3.1
229.12303	0.7
235.07605	3.0
239.10684	1.1
242.09370	0.6
243.10155	0.5
252.07819	1.0
253.08620	1.7
255.06554	0.5
257.11682	0.6
267.10120	4.9
270.08929	0.7
285.07904	0.7
285.11185	20.3
286.11624	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1122
Annotation	2'-Hydroxy-4,4'-dimethoxychalcone
Peak:m/z	Relative Intensity
53.03937	1.9
55.01874	7.5
57.03434	2.3
60.02797	0.4
60.72714	0.4
65.03944	2.9
67.01866	2.0
67.05499	1.8
69.03440	3.9
70.17233	0.9
70.17609	0.6
77.03944	0.6
79.05493	15.9
81.03423	3.7
81.07048	1.6
83.08615	0.7
85.02878	0.5
89.03934	0.5
91.05482	5.7
93.03402	2.3
94.04204	2.5
95.04975	3.5
95.08595	0.6
98.38126	0.4
103.05466	13.1
105.03393	0.7
105.04533	0.7
105.07033	30.0
107.04934	4.6
108.02122	0.6
109.06541	2.8
109.33027	0.4
110.03550	0.5
111.04448	0.6
115.05457	32.8
116.05751	1.2
117.07031	0.8
119.04977	0.8
119.08540	0.5
121.02850	0.9
121.06523	0.6
122.03647	6.3
123.04424	1.6
124.67210	0.5
127.81142	0.4
129.06999	0.9
131.04933	4.6
132.05653	0.4
133.06485	14.3
135.04427	3.9
135.08055	0.4
136.18314	0.5
137.05980	52.6
138.06311	1.2
141.05460	0.7
141.06993	0.8
143.04939	5.6
144.05640	0.7
145.06430	1.1
147.04410	1.0
147.11687	0.5
149.05975	1.4
149.09673	0.6
150.06760	2.0
151.03908	23.4
151.04991	1.6
151.07500	0.5
153.05440	1.4
153.06979	1.7
154.07730	1.3
157.06502	0.6
160.05196	1.5
161.05978	100.0
162.06288	2.5
163.07515	1.6
164.08267	0.6
165.07011	1.9
166.07626	0.5
167.03381	1.0
167.07076	0.9
167.08542	1.1
168.05675	0.6
168.09309	1.1
169.06471	0.7
169.10092	0.6
173.05954	0.4
175.07526	2.4
178.07782	6.0
179.06970	0.7
179.08557	14.2
180.09148	0.7
181.06464	5.0
181.10190	0.6
182.07253	2.9
183.08081	1.4
185.05980	0.7
189.07008	0.8
192.05650	0.8
193.06383	0.5
193.10147	1.4
193.12204	1.2
195.08066	1.4
196.07173	0.3
196.08823	7.2
197.06003	0.4
197.09595	3.7
199.07547	1.4
200.08400	0.6
206.07242	0.7
207.08058	13.1
208.08652	0.8
209.06000	1.6
210.06758	2.1
211.07512	3.0
211.09491	0.8
211.11238	1.1
211.13118	0.4
213.05515	0.9
213.09154	0.7
221.06001	0.8
221.09558	1.3
223.07471	1.4
224.08336	10.7
224.10432	0.9
225.05600	0.5
225.09116	10.1
226.09642	0.8
227.07024	2.8
228.07652	0.6
229.12035	0.5
230.65175	0.4
234.06621	0.7
235.07526	27.7
236.08040	2.3
237.05508	0.9
237.09145	0.8
239.10674	11.6
240.11075	0.6
241.05013	0.7
241.08730	0.6
242.09366	1.3
243.10062	0.6
249.09146	2.9
252.07805	5.9
253.08577	9.5
254.09125	0.6
255.06561	1.7
256.07260	1.9
257.08228	0.6
257.11734	3.4
267.10165	34.6
268.10425	2.0
270.08871	3.4
272.95901	0.4
285.11206	66.4
286.11600	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.112
Annotation	2'-Hydroxy-4,4'-dimethoxychalcone
Peak:m/z	Relative Intensity
51.02370	0.6
53.03938	1.7
55.01873	9.5
55.05505	1.3
57.03434	2.5
57.07066	0.5
59.05000	0.7
60.08159	1.0
61.58143	0.5
65.03928	2.1
67.01853	2.4
67.05508	4.2
69.03425	4.4
69.07057	1.3
77.03929	1.0
79.05045	1.1
79.05491	17.1
79.05948	0.9
81.03408	4.4
81.07042	3.9
83.04973	1.2
83.08617	1.8
85.02910	5.5
86.75372	0.6
87.04418	0.7
91.05484	9.9
93.03410	3.6
93.07039	2.4
94.04203	3.6
95.04955	5.5
95.08584	1.6
103.05461	7.9
105.04534	1.1
105.07030	33.9
106.07378	0.8
107.04955	5.4
107.08599	1.2
108.02036	0.9
109.02883	0.7
109.06535	3.3
109.10168	0.5
111.04424	0.6
111.08067	0.8
115.05455	38.5
116.05756	1.0
117.07018	1.1
119.04920	0.6
119.08571	2.3
120.83311	0.6
121.02852	1.5
121.06504	0.8
121.10164	1.3
122.03635	7.1
123.04408	0.7
129.06976	1.7
131.04950	1.4
131.08540	1.5
132.05620	0.6
133.06488	18.5
133.10132	1.8
135.04404	5.2
135.08011	0.8
137.05974	56.2
138.06311	1.3
141.05435	1.1
141.06979	1.5
143.04944	5.6
144.05673	0.6
145.06476	0.9
145.10063	0.8
147.10573	0.8
147.11673	5.9
149.05963	1.3
150.06729	1.9
151.03900	27.4
151.04991	2.2
152.06319	0.9
153.05502	1.3
153.06938	1.7
154.07733	1.4
155.08492	1.2
157.06424	0.8
157.10101	1.1
160.05203	1.6
161.05974	100.0
162.06223	2.7
163.07532	0.7
165.06961	1.2
167.08536	1.3
168.05646	0.7
169.06572	1.0
169.10112	1.7
175.07553	1.5
175.11127	1.1
177.07048	0.5
178.07759	6.5
179.08557	16.2
180.08948	0.8
181.06436	5.2
182.07275	3.2
183.07948	1.5
185.13316	0.6
187.07504	0.7
189.06973	1.2
192.05727	0.9
193.10355	0.9
193.12247	3.3
194.68336	0.7
195.08057	2.2
196.08839	7.1
197.09587	4.6
199.07611	1.9
201.09311	0.6
206.07257	1.7
207.08047	14.5
208.08655	1.7
209.06012	1.3
210.06723	2.3
211.07533	3.1
211.11154	1.6
211.13257	2.6
213.05513	1.0
214.09831	0.8
215.10594	0.7
221.09636	1.6
223.07611	0.9
224.08324	12.3
225.09099	9.8
226.09593	1.1
227.07082	2.8
228.07742	1.0
229.12233	0.7
232.21159	0.6
234.06725	1.3
235.07526	29.5
236.08014	2.3
237.05505	0.9
239.10651	13.9
239.18036	0.7
241.04863	1.2
242.09319	0.8
243.10152	0.7
249.09079	2.5
252.07788	6.6
253.08559	8.4
254.09145	1.0
255.06395	1.6
256.07278	1.6
257.11816	2.8
267.10172	32.2
268.10501	1.4
270.08853	2.7
284.33029	3.5
285.11203	52.3
285.16806	2.0
285.22220	1.5
285.33432	1.9
286.11475	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.112
Annotation	2'-Hydroxy-4,4'-dimethoxychalcone
Peak:m/z	Relative Intensity
53.03946	2.5
55.01869	7.4
55.05513	1.8
57.03428	1.9
57.07060	2.0
60.08154	3.2
65.03944	2.5
67.01871	2.2
67.05492	3.3
67.43169	1.0
69.03417	3.7
69.07059	1.6
71.31193	1.2
71.31636	1.3
79.05495	16.6
81.03409	3.9
81.07053	5.8
83.08616	1.7
85.02892	2.8
91.05482	8.4
93.07063	2.1
94.04177	4.1
95.04955	4.6
95.08598	3.1
103.05482	7.0
105.04539	1.4
105.07032	29.3
107.04943	4.9
107.08619	1.2
109.06523	3.1
115.04645	2.2
115.05452	35.0
115.44505	1.0
117.06997	1.6
119.08552	1.9
121.10182	1.5
122.03667	5.0
129.07001	1.5
131.08565	2.6
133.06497	16.8
133.10164	1.2
134.06750	1.5
135.04387	4.0
137.05980	53.9
143.04973	7.7
143.08485	1.4
145.06503	1.4
145.10062	1.2
147.11710	4.2
149.06021	1.2
150.06721	2.1
151.03917	25.7
151.05014	2.5
152.50493	1.1
153.05492	1.3
153.07027	2.0
154.07759	1.4
157.10243	1.5
159.11603	1.7
159.77948	1.1
161.05981	100.0
162.06374	2.2
163.07593	1.4
169.10069	1.5
175.07576	1.6
175.11183	1.3
178.07822	3.8
179.08586	13.3
181.06531	3.9
182.07278	3.1
183.08017	2.2
189.06966	1.4
193.10057	1.3
193.12271	1.8
195.08037	2.2
196.08937	7.8
197.09613	4.6
207.08049	10.5
210.06841	1.8
211.07646	2.5
211.13246	2.1
221.09518	1.6
223.07596	2.1
224.08322	10.7
225.09076	9.4
227.06979	2.4
235.07549	29.7
236.08035	1.7
237.05473	1.8
239.10635	11.2
241.04936	1.2
249.09187	2.4
251.06895	1.4
252.07742	5.9
253.08652	8.7
255.06685	1.6
256.07343	1.6
257.11633	3.1
267.10159	31.4
268.10693	1.7
270.08890	3.9
284.33148	8.3
285.07910	2.8
285.11212	62.5
285.18222	2.8
285.22217	3.2
285.33374	4.3
286.11490	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	285.1121
Annotation	2'-Hydroxy-4,4'-dimethoxychalcone
Peak:m/z	Relative Intensity
51.02371	0.6
53.03944	2.2
54.82998	0.6
55.01871	8.2
55.02116	1.0
55.05508	2.6
57.03437	2.0
60.10695	0.6
60.68607	0.6
65.03936	2.4
67.01866	2.2
67.05492	3.7
69.03430	5.5
69.07071	1.6
70.68854	1.2
71.04991	1.6
75.94707	0.6
77.03910	1.0
79.05491	15.9
80.05812	0.6
81.03424	8.4
81.07053	5.8
83.04975	1.8
83.08615	1.9
85.02890	2.8
85.06513	0.9
87.04469	0.7
91.05486	8.9
93.03397	2.6
93.07047	3.6
94.04194	2.4
95.04972	6.6
95.08595	3.3
97.02864	1.0
99.04440	0.9
103.05466	13.8
105.03383	0.8
105.04520	0.7
105.07028	32.0
107.04945	7.4
107.08603	2.5
109.02860	1.5
109.06524	3.6
109.10153	2.1
111.04459	1.0
111.08100	1.1
115.05453	32.4
116.05763	0.7
116.37492	0.7
117.07008	1.0
118.04137	1.0
119.04892	0.6
119.08575	2.5
121.02891	2.9
121.06490	1.7
121.10178	2.0
122.03672	6.3
123.03624	0.7
123.04433	3.1
123.08073	1.1
127.03903	0.9
129.07007	1.9
131.04916	7.9
131.08545	1.7
132.05682	0.7
133.05542	1.2
133.06491	17.0
133.10106	1.9
135.04414	4.3
135.08089	1.1
135.11723	1.1
137.05977	55.4
138.06332	1.5
141.05600	0.6
141.06993	1.6
143.04933	6.9
143.08603	1.2
145.06456	1.3
145.10124	1.3
146.03632	1.1
147.04381	1.4
147.11734	1.5
149.06007	2.8
149.09607	0.7
150.06772	2.7
151.03906	23.0
151.05017	2.2
153.01811	1.3
153.05484	2.1
153.07005	1.6
154.07762	1.8
155.08537	1.2
157.10123	2.4
159.11710	0.7
160.05209	1.8
161.05975	100.0
162.06354	2.6
163.03865	1.0
163.07532	3.3
164.08371	0.8
165.07002	6.1
167.03416	1.2
167.07074	1.2
167.08530	1.0
168.09277	0.7
169.06409	0.9
169.10136	1.8
171.04411	0.9
171.07799	0.6
173.05882	1.1
175.07564	2.5
175.11174	1.9
177.05505	0.7
177.07011	0.7
178.07784	8.1
179.06993	0.9
179.08546	13.7
180.09248	0.7
181.06447	5.8
181.10037	0.7
182.07278	5.2
183.08041	2.7
185.05974	1.2
185.09592	0.8
185.13301	0.7
186.06738	0.9
187.07439	0.8
189.06976	0.9
192.05728	0.8
193.06471	4.1
193.10475	0.9
193.12242	4.0
194.07211	0.6
195.08003	2.0
196.08853	5.9
197.06009	1.8
197.09624	4.9
199.07520	1.6
199.14839	1.2
205.06552	0.8
206.07208	0.7
207.08060	12.8
208.08603	1.1
209.05954	2.6
209.09492	1.0
210.06705	5.3
210.22015	0.6
211.07515	3.9
211.11324	1.0
211.13309	2.2
213.05392	1.5
221.05995	3.7
221.09573	1.3
222.06334	1.0
223.07538	1.4
224.08298	10.2
225.09073	21.9
226.09718	0.8
227.06993	3.3
228.07634	1.1
229.08553	1.6
234.06750	0.7
235.07532	28.1
236.08081	2.0
237.05344	0.9
238.06239	2.1
238.09743	0.7
239.06876	1.6
239.10666	13.5
240.10995	0.8
241.04948	0.7
241.08562	1.3
242.05664	0.7
242.09335	1.7
249.09103	1.5
251.07011	0.9
252.07806	7.3
253.08588	19.1
254.09286	1.5
255.06393	2.1
256.07254	1.6
257.08075	1.1
257.11676	4.3
267.10144	33.8
267.15952	1.3
268.10574	1.3
270.08774	4.3
285.07660	8.4
285.11172	75.4
285.22025	2.0
286.08337	1.2
286.11465	4.7
309.64523	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	4.5
55.01862	2.3
55.05496	2.3
57.03433	6.5
65.03949	2.8
67.05500	4.8
69.03444	4.9
70.06587	4.5
71.04984	5.3
71.31823	2.6
71.32185	2.0
75.90186	1.9
78.04713	2.5
79.05499	6.6
81.03419	7.5
81.07037	4.3
85.02891	2.9
91.05473	20.9
93.07051	12.2
95.04974	7.6
97.02912	3.5
98.98487	3.0
99.04489	3.6
103.05460	9.6
105.07018	12.1
107.04947	4.8
109.02901	4.7
109.06517	3.9
110.09671	2.5
113.05983	3.5
115.05470	3.8
119.04970	7.1
121.02842	2.6
121.06518	23.3
122.03650	3.4
123.04439	13.9
124.05222	3.5
124.07598	3.1
127.03947	4.2
133.06508	7.8
137.05974	96.6
141.05511	3.9
142.12306	2.0
147.04402	9.0
149.05989	30.3
151.03934	5.1
151.07526	6.7
152.04646	2.2
153.01865	6.7
153.05460	73.0
154.06339	2.2
161.05963	11.7
162.96700	1.8
165.07021	5.8
166.06277	9.6
167.07040	99.6
168.07706	2.7
177.05431	2.9
179.07080	11.6
181.08588	41.0
193.06619	4.2
193.08612	5.7
196.07326	26.4
209.08049	2.5
210.06760	2.7
211.09634	100.0
212.10097	2.2
221.06012	4.3
225.09125	9.5
253.08636	13.4
285.03973	3.8
285.07642	7.1
285.11255	10.5
285.18100	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.133
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93328	1.4
53.03934	2.1
55.01865	4.1
55.05492	3.2
57.03431	5.1
63.00044	2.6
65.03904	1.7
65.81230	1.8
67.05499	5.1
69.03426	1.7
69.07069	1.4
71.04980	4.8
71.33713	2.9
72.16616	1.6
75.04460	2.1
77.39307	1.5
79.05491	14.2
81.03398	3.6
81.07021	3.7
83.04964	5.0
85.01125	11.3
85.02915	1.9
85.06547	1.7
91.05470	23.5
93.07049	7.9
95.04970	5.0
95.08582	2.8
97.01117	9.2
97.06530	2.7
98.98460	4.0
99.04440	3.1
100.11238	7.9
100.62843	1.5
103.05448	5.2
105.03375	5.7
105.07010	23.7
106.04172	4.8
107.04960	18.5
108.05711	2.9
109.06496	6.6
111.02690	2.1
111.04422	2.0
115.05462	5.0
117.07027	4.1
118.04111	3.9
119.04941	29.0
119.08562	2.3
121.06493	13.8
122.07291	2.2
123.04437	10.5
123.08044	3.9
125.02301	1.6
125.04207	5.9
125.05978	5.9
126.02275	1.5
129.03671	5.7
129.07018	2.5
131.04913	3.7
131.08556	5.2
133.06479	21.4
134.03632	6.4
135.04413	8.3
135.08073	2.6
136.05162	6.5
137.05962	7.1
139.07562	3.2
140.04668	10.5
143.05165	2.4
145.10089	3.0
146.03682	2.1
147.04405	8.3
149.05978	15.5
149.09650	2.0
150.05481	2.5
151.03870	2.3
151.07532	15.1
153.01842	3.3
153.05453	100.0
154.05962	3.0
155.08528	1.8
156.45663	1.6
161.05960	39.3
163.07507	2.3
165.05530	3.0
165.06949	4.3
167.07031	21.7
168.07806	80.7
169.10106	2.2
172.15855	1.7
173.09613	1.9
177.05412	3.9
179.07019	10.5
181.04955	2.6
181.08627	3.5
182.07367	2.2
183.07820	1.8
193.06618	3.8
193.08583	34.1
196.07286	74.5
197.07628	2.7
203.07059	2.0
209.08084	8.2
210.06703	5.2
210.08624	2.1
211.07657	2.5
211.09607	41.3
212.10025	1.6
221.05952	5.0
225.09154	8.5
227.06970	1.7
229.08530	3.2
239.07025	2.2
242.09624	2.0
253.08669	8.3
254.09142	2.1
257.04315	2.8
257.08145	3.3
267.10400	2.4
270.09073	2.6
285.00659	3.3
285.03937	7.1
285.07574	9.8
285.11444	26.6
285.24402	3.2
286.11392	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.0
55.01869	4.3
55.05494	2.5
57.03433	5.3
57.93624	1.0
63.00029	1.8
67.05503	2.7
69.03436	1.6
70.06580	1.3
71.05005	2.2
71.31916	2.1
75.04485	1.4
79.05495	6.2
81.03397	3.1
81.07055	2.6
83.04965	1.4
85.01125	4.8
85.02897	2.0
91.05481	20.7
93.07053	3.8
94.04246	1.0
95.04959	2.8
97.01111	4.4
97.06538	2.1
100.11264	6.5
103.05463	4.6
105.03380	3.2
105.07034	18.7
106.04163	2.5
107.04946	13.2
107.08595	1.4
108.05742	1.8
109.02871	1.9
109.06516	4.8
111.04443	1.2
115.05450	4.3
117.07031	2.4
118.04179	2.0
119.04947	20.5
119.08536	1.3
121.06501	14.0
123.04428	3.4
123.08038	3.7
125.02320	1.9
125.05985	3.6
129.03654	1.6
131.08549	4.6
133.06487	15.8
133.10051	1.2
134.03624	3.5
135.04407	8.7
135.08067	2.4
136.05159	6.6
137.05959	4.7
140.04689	11.4
140.76978	1.3
143.05209	1.2
145.10110	1.8
146.03665	1.7
147.04370	7.1
149.05969	17.0
149.09579	1.6
151.07553	14.1
153.05463	100.0
154.05836	1.8
161.05988	35.3
163.04004	1.2
163.07558	2.6
165.05537	2.2
165.07018	3.9
167.07048	20.8
168.07814	74.3
169.08144	1.6
169.10129	1.4
177.05441	3.5
179.07028	11.3
181.06528	1.9
181.08591	4.1
182.07167	2.4
182.09264	1.1
183.04947	1.2
191.10655	1.4
193.06676	2.4
193.08578	28.4
196.07307	60.6
197.05989	1.1
197.07715	1.8
209.08105	5.8
209.16429	1.3
210.06685	3.4
211.09648	43.5
221.05983	2.7
221.07883	1.3
225.09148	5.7
238.06287	1.4
239.07037	1.3
253.08687	7.5
255.77324	1.1
267.10251	3.0
284.33057	1.4
285.03976	2.2
285.07526	3.2
285.11212	16.0
285.24222	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	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11581	0.5
53.03945	2.4
55.01870	9.2
55.05509	26.2
57.03436	57.7
57.07072	1.3
58.03783	0.7
59.04994	1.5
65.03940	2.8
67.01866	1.0
67.05502	38.3
69.03432	7.5
69.07063	11.7
70.11352	0.8
70.11689	2.4
71.01334	0.9
71.04992	12.8
79.05486	43.7
80.05846	1.0
81.03413	94.9
81.07052	49.0
82.03751	1.1
82.07373	0.8
83.04974	19.3
83.08614	36.1
85.02899	95.8
85.06535	3.2
86.03237	1.5
87.04466	1.4
91.05476	46.5
92.05838	1.0
93.03393	1.1
93.07040	29.2
94.04190	1.6
95.04961	40.0
95.08601	19.8
97.02898	4.2
97.06519	6.0
97.10161	5.5
99.08089	2.3
101.06084	0.7
103.05462	6.1
105.04504	1.0
105.07024	47.8
106.86888	0.7
107.04945	9.4
107.08583	12.9
109.06524	9.1
109.10143	4.7
111.04435	5.1
111.08064	20.5
113.06003	6.2
115.05442	16.2
115.06215	0.9
117.07008	2.4
119.04929	1.4
119.08572	32.1
120.08936	0.8
121.02846	0.9
121.06504	2.7
121.10136	16.3
122.03642	3.0
123.04455	1.3
123.08085	4.3
123.11726	4.0
125.05957	1.0
125.09602	1.3
128.06172	0.9
129.06990	15.4
130.46504	0.7
131.04938	2.8
131.08556	16.6
131.09460	1.3
132.25201	0.7
133.06494	9.0
133.10123	14.8
135.04416	1.5
135.11720	1.1
137.05968	22.1
137.09625	3.3
137.13289	1.5
138.06203	0.7
141.06944	1.1
142.07793	4.1
143.04950	2.1
143.08511	0.7
145.06454	0.7
145.10059	3.4
147.08083	4.1
147.11674	26.1
148.12032	1.3
149.09602	11.0
151.03897	9.2
151.04996	1.6
151.11156	1.1
153.01822	0.7
155.08501	1.1
157.10107	23.9
158.10536	0.9
159.11632	0.9
160.05170	1.1
161.05972	40.7
162.06390	1.3
163.07568	1.8
163.11221	0.9
165.07037	2.1
165.12726	5.4
169.10126	1.7
171.11618	1.4
175.07489	1.1
175.09639	1.6
175.11169	26.5
176.11581	0.9
178.07742	2.6
179.08551	5.6
181.06483	2.5
182.07243	1.0
183.08070	1.1
183.13930	1.0
193.12225	100.0
194.12527	4.2
196.08792	3.5
197.09537	1.7
201.12585	0.9
207.08005	5.1
208.08775	1.0
209.06009	1.0
210.06671	1.2
211.13272	81.5
212.13615	3.0
221.06004	2.2
223.07463	0.9
224.08252	3.5
225.09077	5.6
227.07002	1.7
235.07513	10.2
237.05453	1.0
239.06920	0.9
239.10666	4.4
239.17928	1.4
249.09233	1.3
252.07835	2.5
253.08618	7.1
254.09175	1.3
255.06499	0.9
256.07043	1.0
257.07831	1.1
257.11700	1.8
267.10175	15.7
267.15894	0.9
267.21091	1.4
270.08945	1.6
285.07544	5.9
285.11188	28.2
285.16904	57.8
285.22073	3.0
286.11536	2.1
286.17249	2.9
309.99081	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76854	1.2
50.99245	1.2
53.03941	4.7
55.01873	6.1
55.05513	27.2
57.03438	55.2
59.04987	2.0
62.02095	1.2
65.03946	3.4
67.05505	43.7
69.03429	7.8
69.07063	12.5
69.75002	5.6
71.04991	10.4
77.03919	1.7
78.95493	1.2
79.05493	45.6
80.80251	1.0
81.03418	100.0
81.07055	52.5
82.03769	1.4
83.04980	20.8
83.08620	35.8
85.02905	77.8
85.06539	2.8
87.04473	1.4
91.05477	54.9
91.82215	1.1
92.05785	1.1
93.07047	29.0
95.04970	43.5
95.08611	18.7
97.02884	3.6
97.06507	6.7
97.10165	3.3
99.08089	2.7
99.35426	1.2
103.05467	67.4
104.05790	2.9
105.07028	42.8
106.07372	1.3
107.04942	10.5
107.08601	11.3
109.06532	9.0
109.10157	6.2
111.04432	5.1
111.08084	21.6
113.06018	6.6
115.05450	7.2
117.07002	4.5
119.04944	1.4
119.08582	33.0
120.08939	1.1
121.06501	2.7
121.10149	14.7
123.04452	1.5
123.08060	5.7
123.11704	4.3
125.09638	1.9
129.07013	16.7
131.04929	42.3
131.08563	15.5
132.05170	1.3
133.06505	6.6
133.10139	15.1
135.04428	2.5
135.08083	3.4
137.05980	13.1
137.09622	2.7
142.07780	4.6
143.04892	3.1
145.10091	1.7
147.08032	3.7
147.11693	31.2
147.12854	2.0
148.05209	2.3
149.05974	6.2
149.09627	8.1
151.03931	1.9
153.01917	1.5
157.10121	21.7
161.05981	12.1
163.03964	6.0
163.07533	17.0
163.11157	2.8
164.08287	3.2
165.07030	2.3
165.12753	6.7
175.11185	28.2
178.07771	1.4
179.08588	2.8
182.07271	1.6
183.08144	1.4
193.12250	90.6
194.12555	2.8
207.08087	2.3
211.13293	58.1
212.13579	1.5
221.05930	1.7
225.09055	3.5
229.08682	7.3
229.14505	1.9
235.07516	4.8
239.10777	1.4
253.08566	4.1
257.08057	4.3
267.10114	6.4
267.15930	5.0
271.79852	1.1
285.07663	4.0
285.11240	18.1
285.16962	56.6
286.17300	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.0
54.47608	0.8
55.01867	5.3
55.05511	10.4
57.03435	20.9
57.07058	0.9
61.02911	2.2
65.03938	1.1
67.05504	18.8
69.03107	1.0
69.03434	9.9
69.07063	4.8
70.19991	2.0
70.20381	1.6
70.29811	0.7
71.04992	5.5
73.02898	1.5
77.03925	2.0
79.05492	22.3
81.03413	44.0
81.07053	22.2
83.04981	9.7
83.08614	15.1
85.02902	57.5
85.06517	1.8
87.04448	0.9
91.03949	1.0
91.05478	24.0
91.61927	0.8
92.05822	0.9
93.03378	1.0
93.07047	12.9
95.04964	21.1
95.08598	8.1
97.02892	8.4
97.06520	2.8
97.10139	1.6
99.04458	1.6
103.05466	100.0
104.05780	2.8
104.06370	0.9
105.07027	23.8
107.04951	10.9
107.08593	5.1
109.02851	2.9
109.06493	4.1
109.10164	2.0
111.04402	2.0
111.08084	9.1
113.06000	2.8
115.05452	10.2
117.07007	4.4
119.08575	13.7
121.02868	2.0
121.06496	3.1
121.10139	8.3
122.03603	1.6
123.04410	6.6
123.08050	2.5
123.11691	1.5
127.03946	7.3
129.06996	7.2
131.04924	73.0
131.08578	7.7
132.05214	2.1
133.06474	6.4
133.10133	6.4
135.04379	1.9
135.08058	2.8
137.05969	20.1
137.09666	1.2
141.06953	1.3
142.07768	1.5
143.04909	3.2
143.08527	0.9
145.04944	5.1
145.06439	1.5
145.10124	1.8
147.08018	3.5
147.11678	11.7
148.05217	1.5
149.05977	17.0
149.09613	4.4
151.03905	4.3
153.01775	2.1
153.06981	1.8
154.07797	1.4
155.08498	1.2
157.10124	11.2
160.05104	0.8
161.04680	1.7
161.05963	21.7
162.06660	2.4
163.06175	1.5
163.07539	23.8
164.08334	10.0
165.05580	0.8
165.06976	3.3
165.08830	0.8
165.12715	2.4
167.08479	1.0
169.05852	0.8
171.08014	1.0
175.11157	9.3
178.06259	1.1
178.07779	1.9
179.08562	4.6
181.06461	3.2
182.07277	4.6
183.07985	1.0
193.06509	2.5
193.12234	35.0
194.12654	1.6
196.08852	1.9
197.09604	2.8
199.07492	3.7
207.08047	5.1
210.06726	5.1
211.07509	3.4
211.11499	0.9
211.13286	23.3
212.04695	1.9
221.05974	2.8
221.09520	1.0
224.08269	4.0
225.09094	7.1
227.07014	13.7
229.04930	1.6
229.12189	2.5
229.14316	1.2
235.07510	7.4
239.10379	3.8
242.09323	3.0
243.10100	2.2
252.07867	2.2
253.08617	5.5
255.06641	1.0
257.11603	1.3
267.10144	11.1
267.15887	1.9
270.08804	1.8
285.04233	7.0
285.07846	2.6
285.11197	38.6
285.16879	21.2
286.11456	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.5
55.01867	6.9
55.05232	1.2
55.05510	30.1
57.03437	51.7
59.04987	1.6
65.03928	2.4
67.05166	2.2
67.05506	43.3
68.05829	1.1
69.03443	5.9
69.07069	12.5
69.74603	4.9
71.04993	13.7
79.05048	2.3
79.05496	42.0
81.03418	100.0
81.07056	52.9
82.03741	1.3
82.07438	1.6
83.04983	18.3
83.08621	32.2
85.02902	85.0
85.06556	3.2
85.42240	1.0
91.05479	53.5
93.07047	28.8
95.04967	47.6
95.08603	21.0
97.02890	5.0
97.06550	5.7
97.10168	3.6
99.08070	1.5
103.05468	66.7
104.05756	1.6
105.04520	1.7
105.07030	41.3
107.04948	12.5
107.08588	12.6
109.06534	8.7
109.10153	6.0
111.04445	4.8
111.08083	19.4
113.06009	7.1
115.05434	7.0
116.31274	1.2
117.07021	2.8
119.04961	1.4
119.07745	2.5
119.08577	32.0
121.06472	1.9
121.10150	19.0
122.10561	1.1
122.31727	1.2
123.04438	2.5
123.08061	5.9
123.11686	4.8
125.09627	2.6
129.06995	14.8
131.04924	44.7
131.08553	18.0
132.05287	1.8
133.06499	6.2
133.10124	16.5
135.04402	3.2
135.08032	1.7
137.05974	13.9
137.09624	2.2
142.07761	4.3
143.04956	3.1
145.10130	2.0
146.38252	1.2
147.08040	3.6
147.11682	27.9
148.11960	1.5
149.05977	6.0
149.09624	11.3
151.03903	2.8
157.10138	20.3
161.05989	14.8
163.03912	6.1
163.07542	18.0
163.11156	1.5
164.08307	3.6
165.07025	1.5
165.12761	6.0
175.11195	25.8
178.07643	1.5
179.08556	1.9
182.45886	1.2
188.39333	1.1
190.95393	1.2
193.12238	82.8
194.12546	3.0
197.12874	1.1
201.38730	1.0
207.08081	1.9
211.13277	51.3
212.13649	1.7
221.14333	1.1
224.08258	2.2
225.09102	3.0
229.08600	8.6
235.07533	2.4
239.10725	2.0
253.08519	3.2
257.08102	3.5
266.90341	1.3
267.10129	7.9
267.15906	4.4
279.24774	1.2
285.07651	4.8
285.11200	16.7
285.16962	53.8
286.11572	1.6
286.17361	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	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.5
55.01867	9.1
55.05507	18.0
57.03435	31.7
65.03934	2.6
67.05498	27.5
69.03426	6.1
69.07064	9.2
70.89592	1.0
71.01347	1.2
71.04989	9.1
79.05035	2.3
79.05487	36.2
79.05944	2.0
81.03412	100.0
81.07052	34.6
82.03743	2.1
83.04980	12.8
83.08613	34.3
83.35983	1.1
85.02900	54.7
85.06523	2.0
91.05473	36.7
93.03402	2.6
93.07035	18.8
94.04161	2.3
95.04962	37.1
95.08598	14.5
95.72508	1.0
97.02901	3.7
97.06519	5.6
97.10164	4.6
99.08064	1.5
100.48483	1.4
103.05486	5.9
105.04520	1.3
105.07024	40.2
105.07733	2.4
107.04955	9.6
107.08581	9.8
109.02861	1.4
109.06508	7.2
109.10142	4.5
111.04437	4.0
111.08068	17.8
113.05977	3.5
114.58764	0.9
115.05450	20.1
117.07015	2.4
119.04935	3.5
119.08569	19.8
121.02883	2.9
121.06451	1.9
121.10142	14.0
122.03644	3.0
123.04420	1.7
123.08044	4.0
123.11703	2.9
125.09625	2.0
127.03979	1.1
128.06284	1.1
129.06990	12.9
131.04924	2.5
131.08563	12.7
133.06487	11.3
133.10121	10.6
135.04375	1.7
137.05971	27.7
137.09601	2.3
142.07802	3.9
143.04916	3.2
145.10065	1.9
147.08052	4.0
147.11679	21.4
149.09619	7.7
150.06772	1.5
151.03911	11.9
151.11244	1.0
153.05424	3.3
157.10127	18.0
158.10498	1.8
161.05968	49.4
162.06357	2.5
163.07553	1.3
163.09311	1.1
165.07025	2.7
165.12796	7.1
167.06941	1.5
168.07884	1.4
168.09381	1.3
175.07669	1.3
175.11177	21.6
178.07768	3.5
179.07286	1.1
179.08594	8.4
181.06467	3.1
193.06543	1.4
193.12231	71.6
194.12589	2.1
195.08023	1.4
196.08812	2.6
197.09615	2.6
207.07982	6.8
210.06848	2.2
211.07561	2.3
211.13271	38.8
212.13528	1.6
221.05984	1.4
221.09665	1.6
224.08342	6.4
225.09090	5.1
227.06953	1.7
229.14374	3.6
235.07512	12.1
239.10648	6.5
249.08968	1.9
252.07843	3.8
253.08580	8.8
267.10168	17.9
267.15915	7.0
268.10443	1.3
270.08612	2.4
285.04434	1.7
285.07651	8.6
285.11209	36.0
285.16882	32.3
286.11542	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21513	2.1
53.03950	7.5
55.01866	11.1
55.05515	33.4
55.69287	2.3
57.03437	59.7
59.05021	2.9
65.03925	4.9
67.05506	52.5
69.03432	8.2
69.07068	15.9
69.10399	9.7
69.10821	9.3
71.04990	14.0
79.05493	62.0
81.03418	99.4
81.07057	62.2
82.07398	2.9
83.04979	26.8
83.08617	38.2
85.02906	100.0
85.06564	5.1
86.54512	2.0
91.05485	63.2
92.05786	2.2
93.07045	43.3
95.04974	50.5
95.08604	27.7
97.02906	4.9
97.06548	8.8
97.10154	6.7
99.08105	3.2
103.05460	37.4
105.07030	64.4
106.07373	2.6
107.04975	15.8
107.08598	19.3
109.02887	2.8
109.06532	12.8
109.10206	6.2
111.04437	8.1
111.08074	21.6
113.06027	8.0
115.05455	24.7
117.07001	4.3
119.04992	2.4
119.08587	39.3
121.02870	7.7
121.10160	20.2
123.03388	4.2
123.04424	4.8
123.08110	5.3
123.11714	4.9
128.06248	2.2
129.06990	20.0
131.04938	26.8
131.08568	22.5
133.06503	13.5
133.10130	22.7
137.05966	37.0
137.09593	4.2
142.07796	4.9
143.04944	8.0
145.10091	2.4
147.08093	4.3
147.11662	28.7
149.06023	7.9
149.09642	12.4
151.03897	16.2
153.01881	4.8
155.08540	2.2
157.10126	25.6
161.05981	63.4
161.09682	2.5
162.06506	3.3
163.07574	13.1
164.08369	4.9
165.06967	5.7
165.12796	6.6
175.07748	2.6
175.11189	27.0
178.07808	4.7
179.08589	10.8
181.06487	2.5
182.07399	3.1
185.13071	2.3
193.06551	5.2
193.12253	91.1
194.12498	3.0
195.08086	2.6
196.08891	5.9
207.08076	8.2
210.06721	3.8
211.07491	2.7
211.11473	2.3
211.13293	57.1
221.06053	3.4
224.08389	7.2
225.09169	13.1
225.37985	2.2
229.04994	3.0
235.07578	17.7
239.10602	10.3
249.09242	2.8
252.07849	3.4
253.08658	13.9
255.06535	3.6
257.04565	2.3
257.11862	3.8
258.05313	11.5
267.10144	19.7
285.07623	18.2
285.11255	52.1
285.16922	58.7
285.21835	4.2
286.04779	11.5
286.07745	2.7
286.11569	4.3
286.17337	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	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.9
53.03937	3.8
55.01880	5.3
55.05511	28.0
57.03437	54.7
57.07067	2.5
59.04987	1.4
60.08157	1.2
65.03925	2.8
67.05505	41.2
69.03436	6.8
69.07066	13.3
71.04998	11.7
79.05495	41.3
81.03418	90.1
81.07055	48.9
83.04983	20.9
83.08621	36.8
85.02905	100.0
85.06535	4.4
86.03234	1.3
87.04456	1.7
91.05479	49.7
93.04574	0.9
93.07045	29.1
94.72083	1.0
95.04966	38.5
95.08607	19.5
96.05300	1.1
97.02872	3.7
97.06528	8.5
97.10162	4.4
99.08066	2.2
101.41383	1.0
103.05457	1.0
105.07030	35.9
107.04961	6.8
107.08592	13.7
109.06538	8.0
109.10126	5.8
111.04446	5.0
111.08080	20.6
113.06019	7.4
115.05404	3.0
117.07001	2.8
119.04951	1.3
119.07761	1.4
119.08584	29.0
121.06504	1.1
121.10146	17.1
123.08040	4.3
123.11694	4.1
125.09587	0.9
129.07001	14.8
131.08568	13.8
133.06483	3.4
133.10115	15.5
137.09596	3.9
137.13252	1.4
139.11227	1.0
142.07765	3.2
145.10138	2.9
147.08107	4.4
147.11679	28.2
149.09595	10.1
155.08394	1.1
157.10130	22.7
159.11691	1.1
161.05962	1.2
165.12799	6.3
175.11182	25.5
193.12241	85.6
194.12553	3.2
211.13290	62.3
212.13626	2.6
229.05472	1.1
253.08598	1.3
255.55577	1.0
284.33084	3.7
285.07672	1.0
285.11630	1.4
285.16937	49.1
285.22006	1.9
285.33270	5.0
286.17181	2.3
286.30957	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.1
55.01884	5.4
55.05511	25.9
57.03439	59.0
57.07056	2.2
59.05000	2.0
65.03933	2.3
67.05505	44.7
68.35901	1.0
69.03436	7.0
69.06770	0.9
69.07069	10.7
69.49184	4.9
71.01320	1.2
71.04989	13.0
73.02926	1.2
74.66562	0.8
77.25681	0.8
79.05492	38.0
80.05807	1.0
81.03416	92.3
81.07055	51.8
82.03767	1.3
83.04981	21.5
83.08131	1.4
83.08622	39.4
85.02905	97.1
85.06519	3.8
87.04474	2.1
91.05480	49.1
92.05814	1.2
93.07045	30.0
94.07341	1.3
95.04971	43.8
95.08608	21.0
97.02876	4.3
97.06519	6.6
97.10179	5.0
99.04454	1.6
99.08115	1.6
103.05447	1.2
105.04503	1.3
105.07028	41.5
107.04967	7.1
107.08595	13.0
109.06511	9.8
109.10142	7.6
111.04424	3.6
111.07323	1.6
111.08073	23.6
113.06020	7.9
115.05450	1.3
117.06976	1.5
119.04914	1.8
119.08583	33.8
120.08904	2.1
121.06525	1.8
121.10140	19.1
123.08064	5.5
123.11687	6.0
125.09614	1.5
127.07609	1.0
128.06194	1.7
129.07001	15.8
131.08566	18.5
133.06474	4.1
133.10135	18.9
137.09598	2.9
141.06995	0.9
142.07748	4.0
145.10123	2.8
147.08064	5.5
147.11687	28.0
148.08315	1.2
149.09630	10.0
151.07457	1.1
151.94637	1.0
157.10129	22.4
163.11160	1.4
165.12756	6.9
168.84189	0.9
169.10100	1.6
175.11188	31.7
183.11627	1.3
183.13725	1.2
193.12239	100.0
194.12563	3.5
197.13127	1.4
211.13293	71.7
212.13580	2.5
239.17934	2.3
267.15933	0.9
284.32974	1.3
285.16928	63.6
285.21994	1.9
285.33459	1.9
286.17279	3.2
286.31042	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25130	1.1
53.03930	3.2
55.01859	4.8
55.05262	1.8
55.05511	26.2
57.03440	54.6
57.07058	4.2
58.20947	1.3
60.08152	2.3
63.30419	1.1
65.03934	2.6
67.05508	50.7
67.48560	1.2
69.03416	5.1
69.06759	1.4
69.07068	15.5
71.04996	13.6
71.08651	1.3
79.05046	2.0
79.05492	44.4
81.03420	89.4
81.07057	56.2
82.03775	2.4
83.04531	1.7
83.04985	20.6
83.08622	36.0
85.02908	100.0
85.06530	4.5
91.05481	50.7
93.07047	31.1
95.04973	41.7
95.05592	1.7
95.08607	22.5
97.02870	3.8
97.06538	6.9
97.10152	4.8
98.23415	2.5
99.04467	1.3
99.08074	1.4
103.03955	1.4
103.05459	3.5
104.52438	1.4
105.04495	1.3
105.07031	35.3
107.04939	9.3
107.08589	11.9
109.06524	11.0
109.10158	7.4
111.04439	3.9
111.08092	22.7
113.06026	6.9
115.05437	3.7
117.07005	2.4
117.13480	1.1
119.04939	1.6
119.08582	35.2
121.06489	4.5
121.10157	16.4
123.08068	4.3
123.11688	4.0
125.09591	2.3
129.07002	15.8
129.94009	1.5
131.04887	2.9
131.08572	17.3
133.06462	5.2
133.10135	19.6
135.11633	2.4
137.05974	2.2
137.09605	2.7
142.07765	5.1
145.10107	4.2
147.08028	4.8
147.11679	28.6
149.09622	10.0
151.11227	1.2
157.10129	23.1
159.11620	1.8
161.05942	3.4
163.11186	1.7
165.12791	6.0
167.84024	1.6
169.10136	1.9
174.47646	1.3
175.11188	25.4
193.12247	79.7
194.12540	4.2
211.13289	58.1
212.13606	1.6
239.17938	2.6
266.84384	1.3
284.33099	4.2
285.11597	2.9
285.16925	47.3
285.22098	3.2
285.25598	1.6
285.29086	1.4
285.33191	6.2
286.17227	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	285.2211
Annotation	3-Oxo-abieta-8,11,13-triene
Peak:m/z	Relative Intensity
55.05502	1.0
63.67787	0.7
67.05476	0.9
69.07057	0.8
70.65666	2.2
80.52949	0.8
81.07068	1.2
89.62797	0.8
91.05489	1.2
93.07064	1.1
95.08595	2.3
105.07016	2.9
107.08593	2.5
109.10210	0.8
115.05439	0.8
117.07009	1.1
119.08576	3.2
131.08521	0.8
133.10143	3.5
143.08513	1.0
145.10115	5.2
146.10866	1.3
147.11678	100.0
148.07988	0.8
148.12030	2.9
157.10100	1.8
159.11674	2.6
169.10068	0.8
170.10858	1.1
171.11678	2.8
173.13289	2.0
183.14899	0.8
184.12476	1.9
185.13231	1.6
197.13268	2.1
199.14850	1.4
231.75873	0.7
237.16502	1.7
252.18707	2.1
267.21231	0.8
285.22083	16.4
285.30194	0.7
285.33380	2.8
286.22607	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2211
Annotation	3-Oxo-abieta-8,11,13-triene
Peak:m/z	Relative Intensity
55.05513	1.0
61.14492	1.0
67.05513	1.0
69.18343	8.0
69.18758	1.8
91.05458	1.8
93.07043	1.1
95.08602	1.9
105.07054	2.9
107.08572	1.3
119.08566	2.4
123.18459	1.1
131.08601	1.9
133.10123	3.5
135.88797	0.9
145.10118	4.5
147.11682	100.0
148.12024	2.4
157.10109	1.0
158.10782	1.3
159.11707	2.4
161.13240	1.0
171.11606	1.5
173.13240	1.4
197.13197	1.6
199.14847	3.0
204.92148	1.1
235.09737	1.4
237.16360	1.8
252.18636	1.8
257.27789	1.4
267.21075	2.1
285.22076	15.5
285.33334	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2212
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
51.06221	4.5
55.05508	27.5
57.03444	10.4
57.07059	8.7
63.89536	5.1
67.05498	38.6
69.01918	9.9
69.02318	48.4
69.07068	70.6
71.04994	11.5
79.05482	30.1
81.03445	10.4
81.07050	67.8
83.04986	8.8
83.08620	20.3
85.02905	7.4
85.06539	5.6
91.05470	35.8
93.07043	40.7
95.04978	16.8
95.08594	51.8
97.06525	20.7
97.10127	10.3
98.22588	11.0
99.08141	6.9
102.67414	5.2
105.07035	85.2
107.08588	51.9
109.06496	29.2
109.10149	40.2
111.08060	10.0
117.06996	5.7
119.08584	100.0
121.06489	13.4
121.10152	43.5
123.08077	6.6
123.11738	30.5
126.89561	5.6
128.06279	6.4
129.07030	10.9
131.08603	17.1
133.10126	62.6
135.08044	13.2
135.11707	24.6
137.09613	6.6
143.08571	13.6
145.10078	36.3
146.07230	8.4
147.11682	43.5
149.13242	8.6
157.10127	17.6
159.11644	26.4
160.12178	6.0
161.09631	88.6
161.13176	8.5
169.10118	14.9
170.10870	6.6
171.11685	16.8
173.13309	9.7
175.11192	13.4
175.14821	75.9
177.16397	18.7
183.11673	7.4
185.13283	13.9
189.16246	7.6
193.12239	13.4
193.15907	19.7
197.13326	15.0
201.16487	7.6
211.14929	11.9
257.22943	5.4
267.21109	14.7
285.07715	6.2
285.11169	10.8
285.17398	5.4
285.18933	6.1
285.22055	75.4
285.29871	9.8
285.33420	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	285.2213
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
50.01607	1.3
50.22263	0.8
51.11377	0.7
53.03932	2.5
55.01872	12.3
55.05513	6.8
57.03431	3.0
57.07070	1.9
57.12234	0.7
64.39478	0.9
65.03931	2.4
67.01855	2.3
67.05159	1.4
67.05502	19.6
68.99783	0.9
69.03065	1.2
69.03429	18.1
69.07061	8.6
69.26375	3.2
69.26799	3.2
71.01343	4.5
71.04971	3.1
79.01854	4.5
79.05051	1.2
79.05496	22.9
81.03427	4.0
81.07055	32.2
82.11797	0.7
83.04988	3.3
83.08604	3.7
85.02900	4.8
85.06532	2.3
86.80982	0.8
87.04467	1.4
89.95676	0.8
91.05476	18.1
91.69051	0.7
93.03380	2.0
93.07042	20.3
94.04176	1.9
94.07344	1.1
95.04967	7.4
95.08028	1.4
95.08606	23.8
96.08862	0.8
97.02896	12.4
97.06524	3.1
97.10165	1.4
102.91482	1.1
103.05465	21.1
105.04521	1.5
105.07030	41.7
106.07339	0.8
107.01304	4.5
107.04946	4.2
107.07925	1.4
107.08588	17.5
109.02867	3.3
109.06516	4.7
109.10149	14.8
111.08080	1.7
115.03959	6.9
115.05452	23.6
117.07003	5.4
119.04971	1.7
119.08572	18.4
121.02860	1.7
121.06485	1.6
121.10134	11.9
122.03637	3.3
123.04415	3.5
123.08063	2.2
123.11697	4.1
125.02383	4.6
125.09617	1.5
127.03933	4.6
128.06175	1.8
129.07008	6.8
130.07747	1.3
131.04929	11.9
131.08568	17.8
132.05705	0.8
133.06485	11.6
133.10127	12.8
135.04401	3.1
135.08080	2.9
135.11714	7.2
137.05975	33.0
137.09593	2.0
138.06284	1.1
139.11121	0.9
141.06985	3.7
142.07806	4.1
143.03435	5.4
143.04916	3.5
143.08572	11.0
144.09290	1.5
145.10132	15.5
147.04346	1.0
147.08069	1.8
147.11699	10.4
149.05992	2.6
149.09613	3.0
149.13248	3.7
151.03908	14.7
151.05011	1.3
151.11159	1.4
153.01825	100.0
153.02907	5.0
153.07010	2.0
154.02151	3.7
154.07770	2.1
155.08572	5.5
156.09340	2.7
157.06479	1.7
157.10138	13.6
158.10860	0.9
159.11690	15.6
160.05188	1.2
161.05978	59.7
161.09605	1.9
161.13258	8.2
162.06361	2.2
163.03821	1.0
163.07515	5.3
163.11201	1.3
163.14824	1.9
164.08351	1.1
165.07040	4.9
165.09041	0.8
165.12840	1.2
167.03513	1.2
167.08498	1.9
168.09251	1.5
169.06473	1.6
169.10109	8.1
171.02917	5.0
171.07961	1.2
171.11693	9.0
173.13272	11.1
175.07431	1.0
175.11191	2.6
175.14818	3.7
177.12743	2.3
178.07793	3.8
179.08560	9.6
181.06459	4.1
181.10106	1.7
182.07231	2.9
182.10909	1.2
183.11703	9.2
184.12421	1.5
185.13258	8.0
186.13911	1.1
187.07588	1.1
187.11159	1.3
187.14815	7.2
189.07051	1.0
189.12749	1.8
189.16396	2.1
191.14273	2.0
193.06506	2.1
193.12151	1.4
195.08009	1.7
196.08813	4.4
196.12498	1.3
197.06093	1.3
197.09589	2.9
197.13295	7.0
199.14784	11.2
201.12656	1.3
201.16460	4.4
203.14313	1.8
203.18015	0.9
207.08060	9.6
208.08665	1.0
209.05911	1.4
210.06805	2.8
210.14203	1.1
211.07474	3.6
211.14841	6.7
212.15431	1.6
213.16383	2.7
215.14288	2.0
215.17923	1.1
217.15872	1.4
221.05942	2.3
223.07515	1.2
224.08290	6.1
225.09068	11.5
225.16331	4.9
227.06909	2.0
227.17931	6.1
229.15852	3.2
235.07529	14.5
236.08029	1.3
238.06117	1.3
239.07054	2.1
239.10612	9.0
239.17868	4.0
241.19374	0.9
242.05740	17.6
242.09367	2.2
243.06323	2.6
243.17436	1.1
249.09065	1.9
252.07764	3.7
253.08582	13.5
254.09154	1.9
255.06541	2.2
256.07196	1.2
257.07858	1.6
257.11761	3.9
257.22641	3.9
267.10120	18.3
267.21054	20.0
268.10568	2.0
268.21454	1.0
270.05194	7.7
270.08798	3.6
285.07550	63.1
285.11169	49.4
285.18820	2.6
285.22092	66.4
286.07880	5.2
286.11520	4.1
286.18900	1.2
286.22409	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.7
55.01893	3.6
55.05510	64.4
57.03455	3.8
57.07075	15.7
65.03932	2.4
67.05500	65.8
69.07064	97.7
69.17930	12.7
69.18342	7.5
71.04986	6.1
71.08627	5.7
73.06584	3.2
73.56622	2.1
75.11719	2.1
77.32097	2.1
79.05499	22.6
81.07054	93.6
83.04961	4.5
83.08615	60.4
83.09090	4.7
85.06558	9.4
90.30960	2.5
91.05481	19.2
93.07042	36.4
95.08601	100.0
95.09207	4.8
97.06512	13.8
97.10161	51.0
98.22452	4.0
99.08089	6.0
105.07037	25.2
107.08591	29.6
109.10150	38.8
110.32753	2.2
111.08090	9.8
111.11704	20.1
113.09617	5.6
117.06991	2.8
119.08585	23.3
119.49193	2.4
121.10123	38.5
123.08076	7.1
123.11690	13.1
125.09637	8.1
125.13267	5.6
127.07500	2.5
131.08554	3.2
133.10124	26.6
135.11684	40.2
136.75427	2.6
137.09615	8.9
137.13268	8.9
139.11185	10.5
147.11655	20.5
148.65741	2.5
149.13290	6.9
151.11188	6.9
151.14838	8.8
153.12740	10.8
155.10593	2.6
157.10178	2.7
160.46837	2.3
161.05972	4.0
161.13242	15.8
165.07047	4.3
165.12784	7.2
169.10109	2.9
171.13905	2.9
175.14861	5.8
179.14368	8.8
187.11154	2.6
189.16376	2.9
191.17928	2.8
193.06502	5.5
199.07744	2.6
217.19505	45.7
218.19858	2.7
221.06027	6.5
225.08966	11.6
225.16409	3.1
235.20503	30.5
253.08543	19.0
253.21696	11.0
254.09109	2.7
285.11172	8.7
285.18542	6.1
285.21674	3.2
285.24490	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	286.0919
Annotation	N-(beta-D-glucosyl)nicotinate
Peak:m/z	Relative Intensity
61.52658	0.3
68.99770	1.0
69.03422	1.0
70.06572	0.5
71.04999	0.4
71.13123	0.6
72.08133	0.3
73.02895	0.4
74.25931	0.3
74.74453	0.4
75.79474	0.3
78.03438	1.7
80.05019	3.5
80.64059	0.3
81.03413	1.8
82.23801	0.3
83.67799	0.3
85.02892	2.9
86.52293	0.3
96.04486	3.8
97.02895	0.8
99.04459	0.7
106.02908	13.0
107.03275	0.3
109.02853	1.4
111.00780	0.3
116.12453	0.3
123.04422	0.6
124.03942	100.0
125.04285	1.5
127.03897	1.7
133.80611	0.3
147.04317	0.5
147.48039	0.3
149.02242	0.3
157.06393	0.4
161.05960	0.4
166.04959	0.4
171.04459	0.4
173.05989	0.4
175.03912	0.9
177.05405	0.4
185.05946	0.4
185.09180	0.7
190.95531	0.5
199.03937	0.5
201.05469	0.4
203.03386	1.2
212.04637	0.8
213.05444	0.7
217.04980	0.5
231.16228	0.3
240.04202	0.4
241.04878	0.7
245.04381	1.0
250.07095	4.0
263.02573	0.3
268.08167	2.4
269.04535	0.9
286.09204	28.8
287.05524	5.8
287.09192	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0548
Annotation	Luteolin
Peak:m/z	Relative Intensity
53.03939	0.4
55.01871	0.7
55.05504	0.7
57.03438	0.4
58.87903	0.2
61.90959	0.2
65.03924	0.6
67.05179	0.2
67.05514	1.1
68.99786	2.3
69.03419	1.0
69.07072	1.2
70.66439	0.3
70.66764	0.4
71.04979	0.4
73.02895	0.2
79.05501	1.9
81.03413	1.3
81.07051	1.6
82.03737	0.2
83.04963	0.4
83.08607	0.4
85.02914	0.7
85.06536	0.5
91.05478	1.7
92.05802	0.2
93.07052	1.3
95.01340	0.3
95.04952	1.3
95.08601	0.7
97.02907	0.5
97.06531	0.9
97.97029	0.3
103.05466	6.8
104.05787	1.9
105.03379	1.0
105.06137	0.6
105.07016	1.1
107.04967	2.0
107.08585	0.9
108.05268	0.2
109.02892	1.0
109.06512	0.5
109.10150	0.7
111.00803	1.4
111.04430	0.4
115.03917	0.2
115.05463	0.8
116.07081	0.2
117.07008	0.5
119.04913	0.4
119.08578	0.8
121.02870	6.3
121.03805	0.4
121.06491	0.5
121.10129	0.5
122.88092	0.2
123.04458	0.8
123.11657	0.2
125.05969	0.4
125.09651	0.3
127.03890	0.5
128.06227	0.3
129.07022	0.7
131.04921	3.7
131.08585	0.5
132.05220	1.4
133.02832	1.1
133.05502	0.7
133.06454	0.4
133.10182	0.3
135.04414	1.0
135.08061	0.7
135.11649	0.3
136.07617	0.3
137.02345	1.9
137.05974	3.4
137.09634	0.5
138.06296	0.3
141.06943	0.3
143.07077	0.3
143.08565	0.3
144.46469	0.2
145.06477	1.2
145.10085	0.5
147.04399	1.8
147.11690	0.3
148.05180	1.4
149.05978	0.8
149.13313	0.2
151.07475	0.3
152.06143	0.2
153.01826	10.9
154.02167	0.2
155.06006	0.2
155.07121	0.2
157.06479	1.5
161.06009	1.0
162.05446	1.0
163.03954	0.5
163.06239	0.3
163.07544	3.2
164.08087	0.8
165.01865	3.2
165.05533	0.3
165.06892	0.4
165.08142	0.3
167.03441	0.7
167.07166	0.2
167.08563	0.7
169.06435	0.4
171.04482	0.8
171.08052	0.3
171.11647	0.3
175.04010	0.4
175.11220	0.3
177.05446	0.2
179.03433	0.3
181.06508	0.5
183.02936	1.5
183.06540	0.3
185.05968	1.0
187.07668	0.2
189.05429	0.5
195.02283	0.2
195.08101	0.8
197.05983	0.8
199.04045	0.3
199.07535	0.5
201.05522	0.3
203.03276	0.4
203.07124	0.5
209.06029	0.3
209.09752	0.2
211.07481	0.4
212.08218	0.4
213.05479	3.2
217.05002	0.3
223.07433	0.3
227.07040	0.5
227.10510	1.2
229.04980	0.6
231.06511	1.4
240.07922	0.2
241.04878	1.6
241.08720	0.3
241.11984	0.3
242.05582	0.2
243.06528	0.4
245.04581	0.4
255.06610	0.7
255.10144	0.7
258.05203	2.1
259.06015	1.0
259.09708	0.9
269.04416	0.6
269.10867	0.3
272.06613	0.3
272.10620	0.3
286.17255	0.2
287.05502	100.0
287.08963	3.4
287.12567	3.8
288.05832	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	287.0547
Annotation	Fisetin
Peak:m/z	Relative Intensity
53.03939	0.2
55.01873	0.2
58.60482	0.1
65.03928	0.4
67.01865	0.5
68.99785	2.2
69.03426	0.4
69.07094	0.1
71.01331	0.1
75.54486	0.1
79.05492	0.9
81.03412	0.3
81.07037	0.1
82.94184	0.1
85.06514	0.1
90.12784	0.1
91.05478	0.2
93.03407	0.1
93.07001	0.1
93.99072	0.1
94.04150	0.1
94.81683	0.1
95.01328	0.1
95.04967	0.2
97.02895	0.2
98.23359	0.2
102.74757	0.1
103.05434	0.4
103.85085	0.1
105.03378	0.9
105.04492	0.1
105.07035	0.2
107.04955	1.3
107.08563	0.1
109.02859	0.7
109.06443	0.1
111.00798	1.6
111.01521	0.1
111.04433	0.3
112.01144	0.1
112.11840	0.1
115.05447	0.3
117.07010	0.2
119.04945	0.2
119.08524	0.1
121.02862	6.9
121.03914	0.4
121.06482	0.1
122.03209	0.1
123.04435	0.1
125.02350	0.1
125.05929	0.1
127.03929	0.4
128.06213	0.1
129.06976	0.4
131.04944	0.2
133.02849	1.1
133.06500	0.1
134.03610	0.1
134.37589	0.1
135.04433	0.4
135.07957	0.1
137.02325	2.1
137.05960	0.2
139.05429	0.1
141.06960	0.3
145.02837	0.1
145.06477	0.7
147.04395	1.5
151.03827	0.1
153.01816	11.1
154.02103	0.2
157.06477	1.4
160.05232	0.1
161.02328	0.1
161.05956	0.5
163.03864	0.1
163.07474	0.2
165.01828	3.9
169.06453	0.1
171.04361	0.7
173.05966	0.1
175.03847	0.2
175.07571	0.1
183.02885	1.5
183.04414	0.1
184.05157	0.1
185.05974	1.3
189.05463	0.2
194.02122	0.1
197.05992	0.3
199.03868	0.2
201.05411	0.1
203.03384	0.2
203.07022	0.3
212.04611	0.1
213.05450	3.2
214.05901	0.2
216.04218	0.1
224.43893	0.1
229.04901	0.6
230.05550	0.1
231.06480	1.3
241.04933	1.9
242.05226	0.1
243.06537	0.2
245.04391	0.1
257.04523	0.1
258.05219	2.4
259.05951	1.0
269.04437	0.3
269.11771	0.1
287.05472	100.0
288.05798	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	287.0549
Annotation	Luteolin
Peak:m/z	Relative Intensity
53.03945	0.3
55.01860	0.3
55.05495	0.4
58.47404	0.2
67.01866	1.1
67.05502	1.0
68.99790	1.6
69.03415	0.3
69.07058	0.6
70.95406	0.4
71.04995	0.2
79.05480	1.3
81.07053	1.4
85.02881	0.2
87.37605	0.2
89.03893	0.6
91.05474	0.8
93.07039	1.6
95.04967	0.3
95.08586	1.6
97.06544	0.2
103.05417	0.5
105.07018	1.4
107.04976	1.0
107.08566	1.4
109.06578	0.2
109.10142	0.7
111.00774	0.4
111.04458	0.2
111.08054	0.2
115.86974	0.2
117.03391	0.9
117.07018	0.3
119.04964	0.2
119.08603	1.1
121.06483	0.4
121.10124	0.6
123.04419	0.5
127.07574	0.8
128.06227	0.3
129.01819	0.2
129.06982	0.3
131.04895	0.7
131.08563	0.7
133.10118	0.6
135.04410	4.9
135.08070	0.3
135.11703	0.3
137.02376	1.2
137.03284	0.3
137.05997	0.5
137.09593	0.3
141.24979	0.2
143.08533	1.0
145.06522	0.3
145.10077	1.0
147.04382	0.3
147.08000	0.3
147.11667	0.7
148.05219	0.3
149.09608	0.4
153.01814	11.0
154.02171	0.2
155.08498	0.4
157.06456	0.4
157.10059	0.9
159.11687	0.7
161.02325	1.1
161.09604	0.4
163.03838	0.4
163.07501	0.7
167.07074	0.2
169.06404	0.2
171.02852	0.7
171.04239	0.3
171.08054	0.4
171.11658	0.7
173.09514	0.2
175.03838	0.3
175.11151	0.9
179.03354	0.5
183.11682	0.4
185.05978	0.6
185.09604	0.6
185.13211	0.6
187.11157	0.4
187.14775	0.3
189.05484	0.2
193.12137	0.3
195.08156	0.3
199.03743	0.4
199.14824	0.3
203.03427	0.4
213.05431	0.8
213.12822	0.6
213.16309	0.4
217.05006	0.4
223.14760	0.4
227.03502	0.3
227.10654	0.4
227.17896	0.3
241.04910	1.6
241.08762	0.3
241.15910	0.4
241.19475	2.2
245.04396	0.6
251.17943	0.4
255.09932	0.3
259.20618	0.6
269.04379	0.5
269.08066	0.5
269.18961	5.5
287.05481	100.0
287.12268	9.7
287.19888	4.1
287.23315	0.4
288.05853	4.4
288.09082	0.2
288.12619	0.3
295.31369	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0548
Annotation	Fisetin
Peak:m/z	Relative Intensity
53.03932	0.2
55.01872	0.1
65.03935	0.4
67.01849	0.4
67.05495	0.1
67.77783	0.1
68.99413	0.2
68.99787	3.1
69.03410	0.3
70.65182	0.3
75.87791	0.1
79.05493	0.9
81.03366	0.2
81.07056	0.4
84.56415	0.1
91.05487	0.3
93.07048	0.1
95.04958	0.4
95.08608	0.2
96.25120	0.1
97.02870	0.2
103.05466	0.4
104.14807	0.1
105.03387	1.0
105.07003	0.1
107.04949	1.4
109.02866	1.0
111.00806	1.2
111.04426	0.4
115.05444	0.3
117.07021	0.2
119.04939	0.4
119.08542	0.1
121.02861	7.0
121.03928	0.4
121.06523	0.3
123.04479	0.2
127.03915	0.3
128.06229	0.2
129.07010	0.4
133.02837	1.1
133.10237	0.1
135.04422	0.5
135.08063	0.2
137.02344	2.4
137.05966	0.3
139.05389	0.1
141.06989	0.4
143.04974	0.1
145.02818	0.2
145.06493	0.7
147.04387	1.4
149.05962	0.2
151.03903	0.2
151.07414	0.1
153.01817	11.5
154.02159	0.2
157.06468	1.8
161.02362	0.1
161.05977	0.5
161.22276	0.1
162.53720	0.1
163.03899	0.4
163.07553	0.2
165.01828	3.4
166.02457	0.1
167.08549	0.3
169.06505	0.2
171.04370	0.8
173.05930	0.1
175.03903	0.2
175.07545	0.2
183.02896	2.0
184.05115	0.3
185.05952	1.2
189.05469	0.3
195.08058	0.4
197.06012	0.4
199.03897	0.3
201.05457	0.2
203.03351	0.3
203.07013	0.4
206.12521	0.1
212.04718	0.1
213.05438	3.2
214.59735	0.1
216.04218	0.2
217.04921	0.2
219.06622	0.2
227.10617	0.4
229.04907	0.6
231.06482	1.4
241.04950	1.5
242.05206	0.1
243.06512	0.2
245.04413	0.2
255.10075	0.3
258.05231	2.4
259.05981	0.9
263.05865	0.1
269.04440	0.6
280.38306	0.1
286.04556	0.1
287.05478	100.0
288.05829	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	287.1253
Annotation	CAY10616
Peak:m/z	Relative Intensity
52.54540	0.5
53.62778	0.5
54.33198	0.6
55.05507	0.5
67.01854	0.8
67.03677	0.5
67.89246	0.6
68.99787	1.0
69.34164	2.7
69.34570	1.2
79.05460	1.2
81.07068	0.7
85.17104	0.5
91.05468	1.0
93.07037	1.3
95.08627	1.2
103.05437	1.7
105.07009	1.2
107.04926	0.7
119.08565	0.7
121.10087	0.9
131.04897	1.0
135.04391	1.9
137.05974	2.1
143.08511	0.6
145.10132	0.8
147.04442	0.6
149.05960	0.5
153.01817	4.0
157.10075	0.7
161.06013	0.6
163.07550	2.1
165.06935	0.5
167.08521	0.6
171.04472	0.6
171.11732	0.6
175.11194	0.6
195.08031	1.1
199.03893	0.8
227.07019	0.6
227.10587	0.8
228.25194	0.5
241.19553	1.1
245.04321	0.6
251.26372	0.5
255.06761	0.5
255.09724	0.9
269.19003	2.7
287.05545	32.4
287.12509	100.0
287.19669	2.1
288.05829	2.0
288.12814	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	287.1277
Annotation	3'-Hydroxy-3,4,5'-trimethoxystilbene
Peak:m/z	Relative Intensity
53.03935	1.2
55.01863	2.7
57.03431	0.9
65.03917	1.5
66.04692	0.6
67.05502	1.3
68.99786	2.4
69.03419	1.1
69.82464	0.6
71.34202	1.1
79.05494	4.9
81.03419	1.2
81.07055	3.6
83.04962	1.9
84.37977	0.6
85.02891	0.9
91.05475	11.3
91.77557	0.6
93.07045	2.5
94.04182	1.7
95.04974	4.4
95.08591	0.9
97.02948	0.7
97.06553	0.8
103.05459	9.2
105.04469	0.7
105.07021	10.7
106.04189	0.6
106.07335	0.8
107.04975	4.0
107.08533	0.8
108.05759	1.0
109.06506	7.9
111.00789	1.4
111.04435	3.7
115.05463	2.0
117.07008	2.3
119.04922	2.6
120.05672	0.8
121.06494	20.9
122.03629	2.8
123.04411	2.0
123.08086	1.7
124.05287	0.9
125.06002	0.6
128.06204	1.0
129.06967	1.2
131.04922	10.0
133.02884	1.3
133.06473	2.6
134.03633	3.2
135.04373	2.5
135.07005	1.2
135.08044	22.3
136.05157	1.3
137.02335	1.0
137.05968	45.3
138.06616	0.9
139.07516	2.0
141.06987	3.1
142.63145	0.5
143.04907	2.6
145.06467	3.4
147.04398	6.9
148.05180	3.9
149.02336	1.4
149.05968	30.4
150.06485	0.8
151.03876	2.6
151.07533	26.0
152.06190	25.6
153.06880	2.0
155.04861	1.1
155.08569	1.0
157.06479	2.2
159.04385	1.1
161.05972	3.1
162.06717	2.1
163.03917	3.6
163.07533	41.1
164.08131	2.1
165.06996	15.5
165.09079	6.5
166.07774	16.5
167.08549	75.3
168.05661	0.8
168.08900	2.1
169.06461	7.1
169.09995	0.6
171.04375	1.2
171.07951	1.0
171.11751	0.7
174.06738	2.9
175.03868	1.0
175.07535	1.9
176.06210	2.0
177.05461	1.3
177.06975	8.2
177.09032	3.5
178.07655	2.0
179.07101	1.0
179.08527	1.6
180.05673	0.7
181.06467	6.4
181.10066	3.2
182.07176	1.3
183.08014	3.3
184.08827	7.5
185.05966	1.1
185.09410	0.8
187.07510	2.4
189.09128	1.4
191.08487	1.0
193.06563	0.6
194.07263	10.8
195.08037	100.0
196.08653	7.7
197.05962	16.9
198.06570	2.1
199.03862	1.6
199.11151	2.1
201.05476	1.6
203.03394	1.1
203.07280	0.6
205.06447	1.8
206.07187	0.6
208.05142	0.9
209.09630	10.2
209.21172	0.7
211.07535	7.0
212.08304	19.3
213.05492	2.3
213.08978	1.9
214.06326	0.6
217.05038	1.2
219.06503	0.8
221.05914	0.9
222.06654	1.5
223.07523	31.2
224.08153	3.6
225.05469	2.9
225.08908	1.3
226.09860	1.2
227.10648	93.4
228.11002	5.0
229.08595	1.1
231.06522	1.0
237.08995	4.4
239.07010	2.6
240.07793	7.7
241.04924	1.2
241.08463	1.9
241.12251	1.8
245.04382	1.2
251.10637	0.9
254.09125	0.9
255.10135	77.9
256.10666	7.2
257.07962	1.1
259.05865	1.2
259.13153	1.6
269.04520	1.4
269.11609	3.5
272.10327	2.7
287.05530	14.5
287.12711	48.2
288.13055	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	287.1275
Annotation	3'-Hydroxy-3,4,5'-trimethoxystilbene
Peak:m/z	Relative Intensity
53.03939	0.8
55.01859	1.6
55.05502	1.1
65.03933	1.5
67.05494	1.6
68.99770	0.8
69.03427	0.9
69.07070	0.5
71.04991	0.6
71.32762	0.5
77.03935	0.4
79.05492	4.3
81.03398	0.9
81.07060	4.0
83.04962	1.6
85.02907	0.5
91.05473	9.9
93.07018	1.7
94.04173	1.9
95.04965	3.7
95.08611	1.6
97.06532	0.7
102.04718	0.5
103.04821	0.3
103.05453	8.6
105.03391	0.5
105.07017	9.3
107.04957	4.4
107.08576	1.0
108.05712	0.8
109.06506	6.8
111.04437	3.6
113.06023	0.9
115.05472	2.0
117.06276	0.4
117.07005	2.5
119.04932	2.2
119.06075	0.7
119.08556	0.8
120.04417	0.6
120.05730	1.0
121.06497	17.9
121.10164	0.6
122.03638	2.9
123.04434	2.6
123.08083	1.0
124.05177	1.1
124.07581	0.7
125.05997	1.1
125.08338	0.5
126.09134	1.1
128.06213	1.0
129.06998	1.6
130.04092	0.5
131.04921	10.0
131.08548	0.9
132.05365	0.5
133.02824	0.9
133.06465	1.5
133.10078	0.5
134.03624	2.7
135.04440	2.1
135.08041	18.3
135.36684	0.4
136.05209	1.7
136.08444	1.1
137.05969	42.3
138.06354	0.8
139.07535	1.2
141.06998	2.4
142.07701	0.6
143.04895	2.8
143.08545	0.9
144.05682	0.8
145.06480	3.6
145.10126	0.6
146.03618	0.6
147.04393	5.0
147.11784	0.5
148.05194	4.1
149.05971	28.9
150.06517	1.2
150.37694	0.4
151.03972	0.5
151.07536	24.1
152.06192	24.9
153.07024	3.0
155.08501	1.3
156.09314	1.0
157.06483	1.5
157.10088	0.6
158.07237	0.4
159.04388	1.5
159.08029	0.7
159.11720	0.7
161.05980	2.4
162.05482	4.4
162.06743	1.9
163.03911	3.3
163.07532	43.1
164.08156	1.5
165.05611	0.4
165.06978	15.0
165.09079	5.9
166.07779	17.5
167.08549	73.6
168.08868	3.6
169.06468	6.9
169.09982	0.6
171.04428	0.5
171.08002	0.5
171.11710	0.7
172.05310	0.5
173.06100	0.5
174.06784	2.4
175.07599	2.5
176.06265	1.8
176.08266	0.9
177.05455	1.0
177.06985	7.7
177.09082	4.1
178.07681	1.6
178.09286	0.4
179.07100	0.7
179.08472	1.9
180.05717	1.1
181.06458	7.0
181.10072	3.2
182.07178	0.5
183.08044	3.8
184.05347	0.5
184.08833	6.5
185.09589	1.1
185.13258	0.7
187.07492	2.2
189.09108	1.0
191.08528	0.9
193.06425	0.7
194.07262	10.0
195.08040	90.9
196.08595	7.0
197.05954	17.4
197.09549	0.9
198.06546	1.4
199.03979	0.4
199.11212	1.6
199.14801	0.5
201.05415	0.4
201.09077	0.8
203.03360	0.9
203.07135	0.5
205.06448	2.0
207.08020	0.9
208.05118	0.5
209.09616	10.2
210.06764	0.6
210.10039	0.5
211.07544	6.6
212.08316	16.9
213.05434	0.8
213.09001	2.3
213.12901	0.4
221.05981	1.4
222.06783	1.4
223.07532	31.1
224.08122	2.8
225.05486	3.0
225.09015	0.9
226.09918	1.0
227.10648	100.0
228.10995	4.4
231.06464	0.4
237.09082	5.0
239.06970	2.5
240.07784	6.4
241.08516	1.6
241.12280	2.9
241.19421	2.5
245.04295	0.5
254.09483	0.6
255.10138	79.2
256.10602	6.6
257.08075	0.9
259.09631	0.4
259.13306	1.4
259.20636	0.8
269.11777	3.8
269.19070	0.7
272.10419	2.8
287.01886	1.3
287.05545	5.0
287.12729	49.9
287.19769	4.8
288.13095	3.4
288.20181	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1275
Annotation	3'-Hydroxy-3,4,5'-trimethoxystilbene
Peak:m/z	Relative Intensity
53.03935	1.3
54.92107	0.6
55.01857	1.8
55.05489	1.3
57.03400	0.7
58.86559	0.6
60.78166	0.7
65.03929	0.9
67.05486	1.9
68.99789	4.4
69.03408	1.2
69.04269	2.5
69.04694	4.5
79.05096	0.6
79.05489	4.6
79.35306	0.7
81.03400	1.6
81.07026	2.8
83.04952	1.4
85.02892	0.7
88.45492	0.7
91.05477	9.7
93.07030	1.3
94.04169	1.9
95.04943	3.0
95.08585	1.3
97.06513	1.3
103.05468	8.6
104.33633	0.8
105.03384	0.8
105.07030	10.0
107.04948	5.6
107.08569	0.8
109.02882	1.3
109.06516	7.1
111.00792	2.4
111.04433	4.0
113.05961	0.7
115.05452	2.6
117.06989	1.9
119.04909	2.0
119.05962	0.7
121.02873	3.2
121.06495	18.5
122.03618	2.3
123.04411	2.7
123.08087	1.0
125.05925	0.8
128.06236	1.0
129.07047	1.8
130.04237	0.8
131.04919	10.8
131.08542	0.9
133.02829	0.9
133.06473	1.7
134.03589	2.9
135.04376	2.2
135.07036	1.1
135.08041	18.9
136.05186	1.5
137.02333	1.6
137.05971	39.4
138.06281	1.0
139.07521	1.9
141.06958	2.0
143.04883	2.3
143.07008	0.7
143.08536	0.7
145.06425	3.8
145.10048	0.8
147.04387	5.9
148.05151	2.9
149.05969	28.9
149.07149	1.4
150.06532	1.2
151.03900	0.9
151.07535	23.3
152.06189	19.9
153.01826	5.7
153.06908	2.5
155.08478	1.0
157.06482	3.2
159.04443	1.4
159.08070	1.2
161.05978	3.5
162.06648	1.6
163.03937	4.6
163.07538	41.5
164.08054	1.9
165.01866	1.3
165.06990	13.3
165.09073	3.8
166.07770	14.4
167.07057	2.7
167.08546	66.8
168.08890	2.5
169.05031	1.5
169.06454	7.7
171.04388	2.4
173.05997	1.1
174.06711	2.9
175.03925	1.7
175.07532	3.1
176.06187	1.4
176.08327	0.9
177.05461	2.1
177.06966	7.9
177.09055	3.6
179.07092	0.7
179.08476	1.5
181.06485	5.0
181.10069	3.5
183.07997	2.7
184.08818	5.4
185.05940	1.6
185.09518	0.8
187.07533	2.2
189.09058	0.8
191.08578	1.1
193.06512	0.9
194.07240	8.0
195.08038	85.4
196.08594	6.1
197.05948	14.7
197.09538	1.0
198.06606	1.2
199.03923	2.7
199.07565	0.9
199.11217	1.9
201.05502	1.2
203.03378	2.3
205.06467	2.6
205.12216	0.8
207.04326	0.8
209.06076	0.8
209.09598	10.4
210.10039	0.8
211.07520	4.4
212.08298	17.2
212.10268	1.1
213.05545	4.5
213.08847	2.2
213.10941	0.8
217.04961	1.7
222.06882	1.4
223.07545	27.0
224.07991	3.3
225.05452	2.3
225.09023	0.9
227.10654	100.0
228.11002	3.8
231.06502	1.4
237.09085	6.0
239.06960	1.6
240.07768	6.5
241.04930	2.4
241.08495	1.8
241.12239	2.6
245.04469	2.4
254.09409	0.8
255.10152	79.3
256.10580	6.5
258.05289	1.1
259.13315	1.2
269.04523	1.6
269.08133	0.8
269.11575	2.0
272.10364	3.0
287.05496	67.1
287.09100	2.5
287.12704	54.0
288.05951	3.7
288.10007	1.1
288.13129	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	287.1276
Annotation	4-O-Methylangolensin
Peak:m/z	Relative Intensity
53.03949	0.8
55.05510	1.0
57.07066	3.5
58.06583	0.7
62.06081	2.1
67.05482	0.8
69.07067	0.9
70.06592	2.3
71.08627	0.9
71.33743	0.8
72.79613	0.7
79.05505	2.0
81.07066	2.4
88.07620	5.5
91.05477	3.9
93.07026	1.4
94.04176	1.1
95.04964	2.2
95.08586	1.5
103.05463	100.0
104.05809	2.1
105.04548	0.9
105.07059	3.2
106.08659	8.7
107.04947	7.5
107.08585	1.0
109.06523	2.4
109.10168	0.9
113.05930	0.8
115.05423	1.0
117.07022	1.8
119.08549	0.8
121.10147	1.1
122.03642	4.4
123.04475	0.9
125.01311	0.6
131.04924	57.7
132.05272	2.0
135.08041	5.0
137.05971	44.5
138.06355	1.1
143.08528	0.9
145.06488	1.6
147.04404	1.7
148.05186	28.3
149.05946	1.5
151.07564	0.7
152.06223	1.4
157.10104	0.7
159.11646	0.8
163.07542	36.0
164.07993	1.2
165.07045	1.4
167.08586	4.7
177.06862	1.8
195.08031	5.8
197.05960	1.7
207.04384	1.7
209.06068	0.8
209.09650	0.8
211.07539	2.1
212.08333	1.0
212.23782	1.0
223.07547	4.4
225.05318	0.9
227.07141	1.2
227.10669	2.6
227.20079	1.5
230.24809	3.0
231.25075	2.2
239.06975	1.2
240.07718	1.7
241.08386	0.7
241.19472	0.9
255.10159	2.5
257.08054	1.0
259.09747	0.8
269.19077	0.8
272.10416	8.2
286.31009	7.9
287.05820	1.4
287.12744	69.4
287.19992	2.5
287.23495	1.4
287.31348	13.7
288.13113	4.0
288.25916	0.7
288.28833	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	287.1278
Annotation	4-O-Methylangolensin
Peak:m/z	Relative Intensity
51.02377	0.8
53.03933	1.3
54.64642	0.6
55.05484	0.7
55.82968	0.6
57.07077	2.9
58.07398	0.7
62.06092	1.5
67.05493	0.9
69.65305	1.9
69.65697	1.0
70.06595	2.0
70.59783	0.5
71.08622	1.6
79.05486	2.2
81.07056	2.8
88.07611	4.1
91.05501	3.1
91.06015	0.8
93.07038	1.4
94.04176	1.7
95.04969	2.1
95.08626	1.4
98.22618	1.2
98.53388	0.6
103.05461	100.0
104.05788	2.3
105.07024	3.4
106.08670	4.9
107.04954	7.6
107.08531	1.0
109.06497	2.1
109.10165	0.7
115.05487	0.8
117.06989	2.2
119.08611	0.9
120.05649	0.8
122.03635	5.1
123.04481	0.7
125.05977	0.7
131.04921	59.8
131.08563	0.9
132.05255	1.9
135.08066	5.1
137.05971	42.5
138.06314	1.3
143.08513	0.9
145.06456	1.8
145.10138	0.9
147.04414	1.4
148.05182	29.4
149.05887	1.4
151.07535	1.0
152.06200	2.2
153.06931	0.7
159.11705	1.0
163.07535	35.7
163.86145	0.6
164.08147	1.0
165.07082	1.1
166.07675	0.8
167.08533	6.4
169.06517	0.9
171.11607	1.2
173.09521	0.7
173.13193	0.7
177.06924	2.4
177.09148	0.6
181.06580	0.9
195.08055	6.9
197.05933	2.3
198.06801	0.8
199.14774	0.6
207.04411	1.3
209.09662	0.7
211.07536	2.5
212.08344	1.5
212.23660	0.7
223.07544	3.9
224.07970	0.6
227.10674	1.9
230.24788	2.8
231.25154	2.1
239.06917	1.9
240.07697	1.2
241.19566	2.1
255.10129	2.5
257.08191	1.3
269.11755	0.9
269.22491	0.7
272.10416	6.6
286.31036	8.2
287.05582	2.3
287.12756	71.6
287.19849	2.4
287.23441	1.4
287.28101	0.9
287.31366	16.8
288.13129	3.7
288.25897	1.0
288.28864	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	287.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.8
55.01871	1.4
57.03437	1.5
58.53297	0.8
63.81972	0.7
65.03946	1.0
68.99786	4.8
69.03466	0.7
71.13574	1.2
75.04468	0.7
78.04723	1.3
78.85371	0.7
79.05485	8.8
81.03382	0.9
81.07066	1.1
91.05465	5.2
93.03426	0.9
93.07030	1.5
95.04968	1.9
103.05460	9.3
105.07027	7.1
106.04190	1.2
107.04949	60.6
107.08599	1.1
108.05313	1.5
109.02859	1.0
109.82903	0.9
111.00794	1.1
115.05441	4.5
116.54530	0.8
117.07020	1.8
119.08568	0.9
120.05708	1.9
121.06535	1.6
123.04431	5.3
124.05222	3.2
125.05978	1.4
127.76646	0.7
131.04938	2.9
133.06493	2.4
135.04445	1.6
135.08043	17.0
137.05981	3.0
145.06454	1.1
145.07590	1.6
147.04416	1.8
149.02362	1.3
149.05959	2.4
151.03899	1.2
151.07494	0.8
152.04665	2.7
152.05878	0.7
154.06212	3.9
161.06006	0.8
163.07536	36.3
165.05563	1.2
165.09070	1.0
167.07030	100.0
168.07536	2.8
171.04436	2.6
172.52968	0.8
173.05988	0.7
175.03932	2.6
180.07831	4.2
181.06525	0.8
181.08554	2.3
181.63179	0.7
189.05484	0.8
193.08640	2.9
195.08322	1.1
195.10161	33.5
195.11964	1.7
199.03847	3.9
199.07625	0.8
201.05502	1.3
203.03358	2.6
211.09656	4.5
213.05487	3.2
213.09186	1.6
213.11208	28.7
214.11581	0.9
217.04977	1.0
219.06612	1.2
227.03583	1.3
227.06834	1.1
227.10608	1.1
229.43761	0.9
231.06447	0.8
241.04900	1.8
241.08620	1.1
243.69019	0.9
245.04512	2.7
255.06558	1.6
259.05969	1.6
269.04520	1.0
269.08090	1.0
287.05515	18.8
287.08975	2.0
287.12183	1.3
287.23535	0.9
288.05823	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04975	1.1
53.03944	2.2
55.01883	1.2
57.03437	3.0
59.34479	1.0
65.03944	2.0
67.05506	2.1
69.03417	1.9
69.07068	3.0
69.50426	3.5
69.50838	2.5
74.06075	3.0
78.04713	1.2
79.05502	11.5
81.03430	2.0
81.07056	4.2
91.05460	7.6
93.07061	2.6
94.04214	1.3
95.04983	4.9
95.08582	1.5
97.02890	1.2
97.06508	1.6
99.02677	1.3
103.05470	13.6
105.07040	9.9
107.04958	60.7
107.08600	2.7
108.05275	1.9
109.02883	2.3
109.06527	3.5
111.04471	2.3
115.02169	1.1
115.05463	3.9
116.07104	2.1
117.07041	2.7
119.04945	1.9
120.05746	4.1
121.02869	1.8
121.06499	5.9
123.04434	5.6
124.05215	2.9
125.00625	1.7
125.05991	3.0
129.06979	1.4
131.04926	5.6
133.06487	2.7
133.10136	1.5
135.04442	2.0
135.08061	22.2
137.05988	15.3
138.53712	1.0
141.06998	1.1
145.06534	1.6
147.04405	3.1
147.07950	1.3
148.05214	1.9
149.02405	1.3
149.05997	8.6
151.07532	6.2
152.04720	2.2
152.06247	5.9
153.01805	2.2
154.06256	2.3
157.06552	1.0
162.06677	1.4
163.03923	2.2
163.07539	52.9
165.05571	2.4
165.07040	4.7
165.09169	3.0
166.07794	3.5
167.07069	100.0
167.08568	19.5
168.07373	3.7
168.08875	1.3
169.06520	2.2
173.18491	1.0
175.03871	1.6
175.07559	2.2
176.06456	1.0
177.06996	1.6
180.07855	2.4
181.06544	1.4
181.08516	1.4
181.10088	1.4
184.08849	2.8
191.07068	1.2
193.08618	3.1
194.07310	2.5
195.08098	25.5
195.10191	28.1
196.08722	1.2
197.04422	1.1
197.06052	4.3
198.06813	1.1
199.07576	1.8
209.09665	3.1
211.07648	1.8
211.09679	4.6
212.08321	4.6
213.05569	1.3
213.09200	2.0
213.11189	29.5
215.07063	1.3
216.04477	1.2
216.07834	1.4
217.04999	1.8
223.07559	9.1
227.10678	26.5
227.12785	1.9
231.06551	1.2
231.10184	7.4
240.07867	1.8
241.08727	1.7
243.06560	5.6
244.07246	6.1
245.08078	2.2
255.10179	22.7
256.10638	1.7
259.09616	16.0
275.04062	1.1
287.05563	21.6
287.09195	27.7
287.12766	15.4
288.09583	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
55.01862	1.0
57.03430	2.5
59.70669	0.6
59.93320	0.5
67.08890	0.5
68.99808	0.6
69.64467	3.5
71.78108	0.6
75.04500	0.6
78.04732	1.0
79.05488	5.9
91.05475	2.8
95.04964	1.6
103.05455	6.3
105.07027	6.1
106.04163	1.1
107.04949	57.9
108.05273	0.9
113.09815	0.6
115.05452	3.0
117.07013	1.5
119.04926	1.0
120.05710	2.0
123.04431	4.8
124.05206	2.7
125.05987	0.9
125.53190	0.6
131.04890	2.0
133.06494	1.7
134.86798	0.6
135.04477	0.6
135.08047	15.1
137.05992	1.7
145.07558	1.7
147.04416	1.4
149.05974	1.7
151.03891	1.1
152.04672	2.7
154.06224	2.4
154.07404	0.6
161.05992	0.8
163.07541	38.2
164.07898	1.4
165.05403	0.9
165.09106	0.9
167.07034	100.0
168.07381	3.1
180.07817	3.1
181.08565	1.8
181.87114	0.6
193.08626	2.9
195.10149	30.0
195.11940	1.5
196.10706	0.9
211.09621	5.0
213.05421	0.8
213.11220	25.5
214.11557	1.1
236.18332	0.6
241.04942	0.7
245.04448	0.9
287.05399	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	287.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
54.08720	0.5
55.01864	1.2
57.03424	2.3
65.03924	0.5
67.05515	0.6
69.03429	0.7
69.07057	1.4
69.33572	2.9
71.15092	0.5
74.06073	2.9
78.04701	1.4
79.05492	7.9
81.03388	0.9
81.07056	1.8
83.04955	0.6
83.54108	0.5
84.04546	0.5
85.02899	1.0
85.37484	0.5
86.01518	0.5
91.05474	7.1
92.43398	0.5
93.07049	1.1
94.06589	1.1
95.04978	2.9
97.02909	0.7
97.06525	1.4
103.05476	8.4
103.74093	0.6
105.07031	6.1
106.04161	1.0
107.04954	53.0
107.08607	1.0
108.05227	1.0
109.02929	0.7
109.06548	0.9
115.05448	3.7
116.07118	1.1
117.07004	1.9
118.06528	8.3
119.04967	0.6
119.07317	0.6
120.05738	1.9
121.06509	1.7
122.03613	0.7
122.06025	2.4
123.04409	4.7
124.05225	2.5
125.05992	2.2
131.04907	2.6
131.08566	1.0
133.06505	1.6
135.04445	0.6
135.08055	15.0
137.05959	1.6
139.07472	0.7
140.07057	2.1
143.07153	0.6
145.06555	0.8
145.07611	1.5
145.10164	0.6
146.06049	3.1
147.04413	1.6
147.06767	2.2
148.07570	3.4
149.05945	1.3
150.06709	0.7
151.03900	1.4
151.07568	0.7
152.04665	1.9
153.05482	1.7
154.06264	3.8
161.05841	0.7
163.07544	37.5
165.05467	1.4
165.09184	0.6
166.06155	0.6
167.07037	100.0
168.07413	3.1
180.07846	2.7
181.08578	1.1
185.07071	1.7
193.08629	3.4
195.10164	30.1
196.10657	1.0
198.09016	1.2
199.03946	0.5
205.12143	0.9
211.09653	5.2
212.10426	0.6
213.06744	1.3
213.09180	1.2
213.11223	25.4
214.11853	1.1
241.13406	0.8
242.11781	2.7
243.14867	3.9
251.66032	0.5
269.12933	2.0
270.11206	3.6
283.42334	0.6
287.05524	2.5
287.10132	2.8
287.13718	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	287.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
55.01874	1.0
57.03423	1.8
66.86814	0.6
69.55381	0.6
70.32816	1.7
73.13734	0.6
75.04472	0.9
78.04711	1.6
79.05502	7.4
91.02716	0.6
91.05494	3.2
95.04956	1.3
103.05459	7.3
105.07024	6.4
106.04173	1.4
107.04950	54.4
108.05234	1.1
109.06507	0.8
109.84657	0.6
115.05444	2.3
117.07024	1.5
120.05707	2.4
121.06522	1.2
123.03549	0.6
123.04409	3.8
124.05193	2.0
125.05978	1.1
131.04918	2.4
133.06503	2.0
135.04500	0.6
135.08046	15.8
137.06000	1.3
137.83502	0.7
139.03918	1.0
145.07565	1.3
147.04460	0.9
147.19998	0.6
149.06001	1.2
151.03908	1.3
152.04645	1.8
154.06252	2.7
163.07541	36.4
164.07933	1.0
165.05414	1.1
165.09218	0.7
167.07030	100.0
168.07361	4.1
180.07800	3.0
181.08687	1.3
193.08612	4.4
195.10159	30.0
196.10498	0.9
211.09604	4.6
213.11209	27.2
214.11536	0.7
302.64102	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2218
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
53.96522	5.7
54.76606	5.3
55.01870	6.7
55.05495	33.6
57.07072	12.2
59.20851	4.8
67.05510	56.5
69.03437	4.7
69.07062	38.3
79.05490	35.0
81.06627	8.7
81.07061	100.0
83.04980	11.7
83.08617	25.7
85.06525	12.7
91.05483	27.4
93.07055	41.3
95.04958	6.2
95.08609	76.0
97.06527	15.1
97.10178	13.6
99.08057	7.2
101.05997	6.9
103.05462	79.8
105.07011	31.2
107.04971	11.3
107.08603	32.6
109.06465	6.5
109.10150	54.9
109.90342	5.6
111.08115	8.8
115.05401	5.5
117.07005	10.9
119.08562	28.1
121.10149	31.6
123.08051	5.3
123.11721	24.5
129.07002	10.2
131.04922	34.3
131.08563	16.6
133.06544	7.3
133.10123	25.6
135.08057	14.5
135.11658	8.4
137.06009	35.4
139.11150	8.9
143.08522	6.9
145.10141	20.4
147.04407	12.9
147.11684	19.7
148.05167	21.1
149.13246	15.8
157.10139	13.1
159.11708	17.9
163.07526	42.4
167.03423	17.3
167.08511	7.9
171.01436	13.1
171.11685	7.0
173.13344	8.8
175.14861	8.2
185.13228	8.3
187.13283	9.1
187.14828	12.1
189.16367	9.6
199.14854	7.9
201.16438	8.6
209.03807	5.6
213.12837	8.5
215.17937	16.6
228.06677	5.9
233.19026	18.4
241.12276	12.1
249.83490	5.9
251.20073	75.6
259.13327	8.6
261.13358	7.0
272.07550	6.1
287.05521	30.3
287.09210	28.0
287.12732	69.7
287.16080	11.5
287.19998	14.5
287.23642	34.0
305.15887	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	288.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.9
55.01880	1.1
56.05032	8.3
56.98884	0.3
57.03429	2.1
59.05002	0.5
65.03925	0.8
67.05503	1.1
68.99799	1.0
69.03420	2.0
69.37752	1.8
69.38158	0.7
70.06593	4.6
71.05013	0.8
73.02930	0.5
74.06077	100.0
75.06407	0.5
79.05492	0.7
81.03416	2.9
81.07063	0.7
82.51459	0.3
83.04983	0.7
84.04503	7.7
85.02899	1.6
85.06523	0.9
86.06081	1.0
87.04467	0.9
87.84684	0.4
89.03900	0.9
90.58878	0.3
91.05482	0.8
92.22539	0.3
93.03407	0.5
93.82819	0.3
95.04975	1.6
97.02885	2.9
98.06054	12.7
99.04455	1.0
102.05546	4.5
103.05453	0.7
105.03336	0.4
106.22176	0.3
107.04982	1.1
109.02870	5.3
111.04440	1.6
114.05538	0.5
114.69456	0.3
115.05475	0.4
116.07088	43.9
117.03365	0.7
117.07430	0.6
119.04942	0.4
120.06575	9.2
121.02854	0.4
123.04423	19.5
127.03912	4.3
130.06546	0.4
131.04906	0.9
133.06528	0.4
135.04420	4.5
139.03896	9.8
141.06917	0.4
144.06554	27.5
145.02863	0.6
145.04938	1.0
145.06757	0.4
149.05954	0.8
151.03879	2.4
151.04985	0.5
157.06403	0.4
159.04396	2.0
161.06009	0.4
162.07642	1.9
163.03908	5.8
167.03400	0.3
169.06479	0.8
176.10318	0.4
177.05426	0.9
182.08101	0.3
187.03883	0.9
187.07481	0.6
197.05869	0.6
201.05396	0.4
205.04953	1.7
215.10788	0.5
225.05493	0.5
228.08656	2.7
231.02809	0.7
240.08658	1.1
243.06384	0.5
245.04324	0.6
246.09743	3.4
270.09741	7.3
271.06000	0.9
288.05804	1.1
288.10709	4.0
288.13831	0.5
288.20282	0.4
289.07007	3.6
289.10434	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36818	0.4
53.03944	1.0
55.01873	0.8
56.05035	8.2
57.03434	2.2
59.05003	0.7
60.05630	0.4
65.03931	0.7
67.05502	1.3
68.99802	0.5
69.03426	1.8
70.02788	0.4
70.06586	3.8
71.04982	0.4
71.30684	0.7
74.06080	100.0
75.06429	0.6
79.05486	0.8
80.58788	0.3
81.03419	3.3
81.07068	0.5
83.01347	0.5
84.04504	7.0
85.02918	1.2
85.06568	1.0
86.06074	1.2
87.04470	1.3
87.48824	0.4
89.03923	0.5
91.05490	0.6
93.03394	0.6
94.02753	0.4
95.04976	1.5
97.02872	2.2
98.06053	13.0
99.04431	0.7
102.05543	4.2
103.05480	0.4
105.06995	0.5
107.04961	0.8
109.02880	5.3
111.04446	1.4
114.05515	0.5
116.07090	44.2
117.03379	0.5
117.07455	0.5
120.06580	8.0
123.04429	16.8
126.03741	0.5
127.03912	4.5
131.04919	1.3
135.04399	6.0
137.05972	0.3
139.03894	7.1
141.06976	0.4
144.06554	26.6
145.02875	1.0
145.04933	1.6
146.06013	0.5
149.05986	0.6
151.03938	1.9
155.08566	0.4
157.06619	0.4
159.04417	1.3
161.06030	0.6
162.07642	1.2
163.03909	5.9
169.06612	0.5
175.07533	0.8
177.05479	1.0
181.06554	0.6
183.08002	0.5
185.05965	0.4
187.03929	1.3
187.07620	0.6
191.07008	0.6
197.05980	0.5
201.05545	0.5
201.09250	0.3
205.04955	3.1
211.07545	0.5
215.07155	0.7
217.08611	0.6
217.79739	0.3
225.09140	0.4
228.08745	2.4
240.08670	1.6
243.06577	0.8
243.10254	0.6
245.04388	0.9
245.08109	0.5
246.09744	3.6
270.09732	6.5
271.06003	0.4
288.05862	1.3
288.10767	4.7
288.13876	0.4
288.20416	0.6
289.03729	0.6
289.07065	3.1
289.10965	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	2.5
61.02919	2.7
68.99776	2.6
69.03439	8.1
69.07069	2.6
69.39606	17.9
69.93286	2.2
70.22273	2.5
72.08086	2.6
73.82890	2.2
74.06073	20.0
78.18003	2.2
79.05488	2.8
81.03392	5.2
85.02904	21.7
85.06569	2.4
88.67815	2.9
91.05479	100.0
97.02899	21.2
98.06049	4.9
107.04945	3.7
109.02888	5.1
109.10157	2.9
111.04465	5.2
115.03957	3.5
116.07079	15.4
117.03413	2.6
120.06574	2.6
123.04444	12.4
125.09701	4.0
127.03910	20.5
128.37711	2.4
134.56538	2.5
135.04407	21.4
138.14206	2.4
139.03905	10.1
144.06573	7.4
145.04990	6.0
151.03981	4.8
163.03940	7.3
165.09206	2.7
205.03319	3.0
205.04990	16.7
215.07025	3.0
271.09732	3.2
288.05951	5.8
288.10223	4.7
289.07050	6.6
289.11206	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	289.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
55.01855	0.7
57.03425	1.2
58.86440	0.5
58.99853	1.5
60.05643	2.0
61.02907	0.7
64.77071	0.6
67.05506	0.6
69.03423	2.4
70.06594	5.6
70.99844	2.0
71.04985	1.3
71.30544	0.5
71.30959	1.0
72.08161	1.0
77.00912	1.0
81.03416	2.8
82.99813	3.2
84.08143	1.1
85.02908	2.4
89.00879	0.9
97.01386	2.7
97.02876	1.7
97.06531	1.4
97.07629	0.6
99.04449	2.3
101.00876	40.1
102.00970	1.7
103.02435	1.2
109.02869	2.5
109.07656	1.2
113.00880	2.4
114.10258	1.3
115.02434	18.6
116.02509	1.6
116.07094	1.4
117.04007	1.6
117.52173	0.6
119.01917	100.0
120.01995	4.4
123.04350	1.1
126.98769	1.7
127.03915	10.4
127.07826	0.7
127.08659	3.5
127.09482	0.7
128.07062	0.6
129.00363	0.6
129.03987	4.4
130.09740	0.9
131.01898	11.7
133.03465	24.9
134.03574	1.0
135.05049	1.5
137.02959	18.3
142.03503	1.3
142.12311	0.8
143.01898	16.4
144.01936	0.7
144.99861	3.0
145.03424	2.2
147.01324	2.8
147.05014	7.9
149.02963	1.9
151.04568	4.5
155.01878	1.0
157.03462	2.5
159.01357	1.3
161.02957	52.6
162.03117	1.7
168.99812	7.7
171.01376	6.6
173.02948	7.5
175.00867	2.5
175.04466	1.6
175.11877	4.9
177.02431	1.4
179.04033	2.2
184.04495	1.0
185.02921	2.3
187.00890	21.4
187.04533	1.2
189.02446	14.7
191.04007	8.6
196.99294	4.4
199.00853	7.3
201.02402	3.6
203.00478	0.7
203.04016	1.4
205.01979	9.5
207.03494	5.0
215.00374	26.3
216.00490	1.1
217.01947	18.1
218.02161	0.8
219.03545	6.6
224.01973	0.7
227.66217	0.7
229.01955	5.6
231.03488	2.0
233.01381	4.2
235.02942	1.1
247.02995	26.4
248.03188	1.4
251.02464	0.8
257.01291	0.8
265.04086	8.8
270.04633	1.2
277.03967	1.4
289.04056	5.0
289.18597	1.4
290.06345	3.2
290.12396	0.7
307.05060	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	289.0704
Annotation	phenoxy radical VI
Peak:m/z	Relative Intensity
51.42875	0.2
53.00299	1.3
53.03934	0.3
55.01865	0.4
65.03942	2.4
67.05496	0.6
68.99783	1.8
69.58661	0.2
69.59068	0.8
71.04232	0.2
75.16858	0.2
77.03932	0.3
79.05481	0.2
81.03430	0.3
83.01353	0.2
85.79477	0.2
87.99118	0.2
89.03903	0.4
91.05456	0.4
93.03413	0.8
95.04975	1.3
99.91010	0.2
103.05460	0.3
105.03379	0.4
105.04501	0.2
105.07047	0.2
107.04926	0.5
111.00804	1.4
111.04429	1.2
117.03383	0.8
119.04951	0.2
121.02868	2.3
123.04427	15.7
124.04757	0.2
127.03924	3.4
129.06941	0.2
131.04929	1.1
133.06445	0.2
135.04407	5.4
138.75462	0.2
139.03894	100.0
140.04236	2.4
141.07010	0.3
145.02814	0.7
149.02386	0.3
149.05980	0.6
151.03912	6.0
151.05153	0.3
159.04408	1.5
161.05986	0.4
163.03902	8.2
169.06445	0.4
177.05484	1.2
179.03310	0.3
179.07021	0.7
183.04437	0.3
185.05983	0.4
187.03909	0.9
197.06071	0.4
201.05533	0.4
203.07065	0.2
205.04965	2.7
215.07004	0.4
225.05460	0.3
229.04977	0.4
243.06555	0.7
245.04469	0.5
259.06085	0.4
261.07535	0.5
271.06009	1.4
289.07031	5.9
290.07382	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0705
Annotation	3,4,2',4',alpha-Pentahydroxychalcone
Peak:m/z	Relative Intensity
53.00301	1.0
53.03943	0.8
55.01854	1.4
63.86528	0.6
65.03933	2.3
67.00734	0.6
67.01859	0.6
67.05502	2.4
68.99784	5.0
70.60943	1.5
70.81811	0.6
77.03938	1.7
79.05492	1.1
83.01340	1.2
89.03928	1.6
91.05445	0.7
93.03394	1.8
95.04947	3.9
103.05423	1.0
105.03377	2.0
107.04946	3.8
107.05556	0.6
107.77911	0.6
111.00797	2.7
111.04417	2.7
113.44573	0.5
117.03397	3.2
117.73177	0.6
119.05016	0.7
121.02858	2.9
123.04424	72.9
124.04768	2.7
127.03919	1.9
131.04921	2.5
133.02750	0.6
133.06447	0.7
135.04413	11.8
136.68483	0.6
137.02333	0.7
139.03894	100.0
140.04216	2.5
141.06891	0.8
143.04939	0.9
145.02808	3.0
149.02342	3.5
149.05978	2.5
151.03899	14.9
153.01804	1.9
159.04448	3.6
161.05998	1.7
163.03893	26.9
164.04315	0.9
173.05931	1.1
177.05466	2.1
179.03348	3.3
179.07034	1.4
182.71312	0.9
185.05995	1.0
187.03899	5.0
191.38799	0.6
197.05997	1.8
200.04503	0.6
201.05383	0.6
205.04947	10.6
215.06935	2.9
225.05478	1.7
229.04933	1.6
243.06474	5.9
245.04462	1.3
247.06026	1.3
253.04890	0.7
271.06006	5.0
289.07053	24.6
289.10281	1.4
290.07346	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0704
Annotation	phenoxy radical VI
Peak:m/z	Relative Intensity
52.22014	0.2
53.00290	1.9
65.03934	2.7
67.05501	0.3
68.71780	0.1
68.99785	2.7
69.03424	0.2
71.34348	0.2
76.65213	0.1
77.03926	0.2
79.05480	0.4
81.03397	0.2
81.07054	0.2
83.18812	0.2
89.03910	0.6
91.05469	0.4
93.03399	0.7
93.07047	0.4
95.04967	0.7
105.03380	0.9
105.07011	0.4
107.04952	0.8
109.06476	0.2
111.00789	3.8
111.04425	1.5
115.05453	0.3
117.03352	0.5
121.02858	3.4
121.10124	0.2
123.04421	2.5
125.37218	0.2
127.03884	0.9
129.07021	0.2
131.04904	0.5
131.08607	0.2
133.02835	1.0
133.06454	0.3
135.04399	3.8
136.04796	0.2
137.05980	0.3
139.03886	100.0
140.04227	2.1
141.06995	0.3
145.02809	0.6
149.02339	0.4
149.05963	1.3
151.03896	6.0
152.04320	0.2
153.01840	0.4
159.04425	0.8
161.05974	0.7
163.03891	14.6
164.04314	0.3
169.06419	0.4
173.05968	0.3
177.05458	0.8
179.03398	0.5
179.07018	2.0
187.03931	0.3
197.06001	0.5
201.05486	0.4
203.07063	0.2
205.04947	5.8
206.05258	0.3
206.96188	0.2
213.05592	0.2
215.07021	0.6
219.06413	0.3
225.05446	0.3
229.04912	0.6
243.06534	0.4
247.06049	0.5
253.05032	0.2
257.10596	0.2
259.06107	0.2
261.07367	0.4
271.05945	1.0
289.07028	22.4
289.17999	0.4
290.07443	1.2
290.10495	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0706
Annotation	2,6,3',4'-Tetrahydroxy-2-benzylcoumaranone
Peak:m/z	Relative Intensity
53.03936	1.2
55.01876	2.0
65.03944	1.8
67.01863	0.4
67.05494	4.3
68.99786	4.4
69.03442	0.4
70.74543	0.8
70.74893	0.7
77.03928	1.8
79.05486	1.8
80.01215	0.4
81.03414	1.0
81.07092	0.4
83.01356	1.8
83.04977	1.2
85.02891	1.0
88.66296	0.4
89.03918	3.2
90.91039	0.4
91.05473	1.3
93.03413	2.6
95.04965	7.5
97.02908	1.1
103.04069	0.5
103.05468	1.6
105.03394	3.0
105.04510	0.5
105.07019	1.0
106.75857	0.4
107.04968	2.2
109.02888	0.9
111.00797	1.4
111.04461	3.6
115.05460	1.9
117.03372	3.5
119.04922	1.6
121.02897	0.9
121.06465	0.4
123.04430	100.0
124.04739	1.9
127.03886	2.8
129.01823	0.8
130.06560	1.5
131.04926	4.1
133.06497	1.5
135.04405	12.3
137.02341	0.5
139.03900	35.1
140.04253	0.6
141.07002	1.0
145.02834	3.7
145.06517	0.6
149.02257	0.5
149.05972	2.4
151.03902	8.3
153.01875	0.7
153.06992	0.6
155.04884	0.4
157.06445	0.6
157.07625	0.7
158.06020	1.5
159.04404	8.2
161.06001	1.3
163.03905	25.9
164.04221	0.5
169.06497	1.2
171.04416	0.4
173.06009	1.4
177.05453	3.6
180.83351	0.4
183.04411	1.1
185.05937	1.6
187.03865	5.5
187.05116	0.5
197.05939	2.7
199.03932	0.9
199.08643	0.7
201.05453	1.0
203.07022	1.1
205.04979	4.9
215.06985	1.2
217.05043	0.7
225.05484	1.8
229.04974	1.0
243.06517	2.7
245.04436	3.0
253.05095	1.0
271.05988	2.1
289.07065	14.6
289.11713	1.1
290.07196	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0705
Annotation	2,6,3',4'-Tetrahydroxy-2-benzylcoumaranone
Peak:m/z	Relative Intensity
51.02380	1.3
53.03938	1.4
53.60463	0.4
55.01873	2.8
57.68250	0.3
62.66383	0.3
65.03930	1.5
67.01875	0.4
67.05498	4.4
68.99786	4.2
69.02613	0.7
69.03018	2.8
77.03912	2.1
78.80637	0.4
79.05489	0.8
81.03384	0.6
82.27042	0.3
83.01330	1.5
83.04983	0.4
84.18172	0.4
84.48911	0.4
89.03897	2.0
91.05476	1.6
93.03394	2.1
93.68191	0.3
95.04966	7.0
95.46542	0.4
97.02902	0.7
98.22613	0.9
103.05463	1.5
104.28838	0.4
105.03387	2.2
105.04510	0.5
105.07016	1.1
107.04934	2.4
109.35553	0.4
111.00809	2.3
111.04448	2.9
115.05440	1.4
117.03381	3.3
117.06978	0.5
119.04968	1.5
121.02872	0.6
121.06536	0.5
123.04422	100.0
124.04755	2.7
127.03909	1.4
129.01813	0.6
129.06998	0.5
131.04915	4.1
133.06482	1.4
135.04411	10.5
135.05470	0.5
137.06033	0.5
139.03889	39.0
140.04254	0.6
141.06992	1.2
143.04927	0.6
145.02846	4.0
145.06480	0.6
147.04276	0.4
149.02374	1.2
149.05980	2.6
151.03897	8.7
152.04131	0.3
153.01840	0.8
153.07013	0.4
153.60464	0.4
155.04857	0.6
157.06476	0.7
159.04396	8.6
161.05981	1.2
163.03886	27.0
164.04236	1.1
167.03450	0.5
169.06493	1.1
171.04541	0.5
173.05972	1.2
177.05470	2.3
179.03383	0.4
181.06413	0.7
183.04411	0.9
185.05988	1.4
187.03825	5.9
187.07484	0.5
189.05371	0.4
197.05922	2.9
198.27507	0.3
199.03856	1.1
201.05489	1.5
201.18094	0.3
203.07170	0.7
205.04951	4.6
211.03998	0.6
215.07047	1.4
217.04907	0.8
225.05458	1.8
229.04968	1.4
243.06512	3.3
244.64807	0.4
245.04446	4.6
253.04959	1.0
268.17609	0.3
271.05914	2.8
274.75998	0.4
289.07040	12.4
290.07394	0.7
301.17349	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0918
Annotation	Dianthoside
Peak:m/z	Relative Intensity
53.03939	1.1
55.01866	1.1
55.14167	0.4
57.03436	0.9
61.02925	0.6
65.03947	3.9
68.99788	0.8
69.03436	2.3
71.01347	0.5
71.04338	0.6
71.04988	0.7
71.38528	0.3
73.02901	0.5
74.06046	0.4
81.03407	3.0
85.02901	4.7
89.03925	0.5
91.03934	0.6
93.03403	6.1
95.04962	1.2
97.02903	2.1
99.04465	1.1
103.05482	0.6
107.01315	0.4
107.04945	1.2
109.02885	2.3
111.04446	14.9
116.07073	0.6
117.03362	0.9
123.03523	0.7
123.04431	13.3
127.03917	100.0
128.04250	1.6
131.04904	1.5
135.04422	16.2
135.05243	0.3
135.05467	0.5
137.02359	24.0
137.03453	3.2
138.02618	0.7
139.03903	23.3
139.38493	0.4
140.04250	0.6
145.04951	0.8
149.02344	0.4
151.03915	7.9
152.04387	0.4
153.05444	1.1
159.04410	0.6
163.03917	3.5
173.05943	0.5
177.05510	0.5
179.03384	1.1
185.05859	0.4
187.03876	0.6
197.05954	0.8
201.05299	0.5
205.05029	0.7
215.07037	0.5
243.06433	0.6
261.07626	0.9
271.05923	1.4
289.03622	1.0
289.07178	12.9
289.12540	35.2
290.07370	0.5
290.12842	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.107
Annotation	Malettinin A
Peak:m/z	Relative Intensity
51.02387	0.7
53.03946	0.9
55.01870	1.2
57.03434	1.0
63.55022	0.4
65.03931	2.9
66.04706	0.4
67.05496	1.0
68.99792	4.0
69.03424	1.5
70.61933	0.5
71.40179	0.5
71.40549	0.6
77.03916	0.6
79.05489	3.6
81.03405	0.6
81.07058	7.1
83.04978	1.0
83.94022	0.4
91.05478	26.9
92.05794	0.5
93.03397	0.9
93.07044	1.2
94.04195	2.0
95.04980	2.9
97.02898	14.6
103.05468	43.8
104.05743	0.9
105.03446	0.5
105.07021	5.0
105.89978	0.4
107.01350	0.7
107.04945	4.9
107.08604	0.9
109.02859	0.7
109.06512	8.1
109.10126	0.6
111.04440	9.1
112.04813	0.5
115.05459	1.0
117.07005	0.7
119.04942	42.9
119.08625	0.6
120.05214	0.6
121.06531	2.1
122.03644	3.1
123.04447	3.2
124.05224	0.6
125.02354	38.2
125.05973	1.0
126.02633	0.6
127.03865	1.1
129.06995	0.6
131.04926	25.2
132.05707	0.7
133.06480	4.1
135.04434	2.3
135.08072	2.5
137.05974	66.4
138.06363	1.0
139.03899	14.5
140.62212	0.5
141.07010	0.9
145.06512	0.9
147.04405	40.6
148.05196	11.5
149.05981	7.1
150.06779	2.5
151.03908	1.1
151.07524	3.8
153.06906	0.7
155.08543	2.0
158.07254	0.7
159.08116	0.6
161.05986	1.1
163.03938	1.0
163.07541	21.8
164.08345	16.1
165.05478	100.0
165.06778	3.3
165.09113	17.6
166.05736	2.5
166.09290	0.6
168.05692	1.0
169.06485	0.8
171.08002	1.0
179.06995	0.6
182.07288	1.1
183.08070	3.9
185.05913	1.3
186.06772	1.0
187.07582	0.6
193.06471	0.6
197.05939	0.6
201.09102	10.1
210.06747	0.9
211.05620	0.8
211.07539	11.2
211.09508	0.6
213.05537	2.1
214.06064	0.6
215.10577	0.5
217.12025	0.5
225.09126	1.2
228.07793	2.0
229.08545	1.7
231.06706	0.5
231.31876	0.5
239.07011	15.8
240.07597	0.7
241.04817	1.3
243.10156	5.4
253.08531	1.2
256.07303	3.7
257.08081	1.6
259.06223	0.4
271.09644	18.4
272.09933	1.4
274.08429	0.7
289.06290	1.6
289.10687	26.2
290.11044	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03400	0.7
69.07044	0.6
69.80930	1.0
69.81321	0.8
85.02886	1.2
97.02870	0.7
99.04432	0.6
101.00868	0.4
106.22254	0.4
109.02883	0.5
111.04369	0.7
119.01888	0.6
123.04439	2.5
127.03907	6.3
131.01897	0.9
135.04416	1.7
137.02307	0.9
139.03897	1.8
145.04974	0.5
151.03918	0.9
163.03952	0.7
187.08136	1.1
199.08167	0.7
221.05034	0.7
241.04723	0.5
248.38716	0.4
267.65121	0.4
289.09113	6.4
289.12540	100.0
290.12875	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	289.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	4.7
55.01853	5.3
55.05506	12.2
65.03940	6.3
67.01833	4.1
67.05509	22.8
68.99796	4.7
69.03414	9.8
69.07072	19.8
70.34804	5.5
70.35130	8.2
71.04981	16.0
77.88705	3.8
79.05485	25.8
81.03403	5.1
81.07047	56.7
81.83882	4.9
81.84350	3.8
83.04978	23.8
85.06527	11.9
91.05458	25.0
93.03396	7.8
93.07039	66.8
95.04967	31.6
95.08605	52.2
97.02882	7.0
97.06526	28.2
99.04440	31.1
103.05489	7.2
105.07024	56.0
107.04945	11.1
107.08578	36.6
108.08931	4.5
109.06516	28.2
109.10145	9.7
111.04434	12.1
111.08089	23.3
113.06015	6.5
117.03340	5.7
117.06972	7.9
119.04917	8.1
119.08575	30.6
121.05616	5.8
121.06496	84.2
121.10114	10.5
123.04435	31.5
123.08064	7.2
123.11674	12.6
125.02327	8.3
125.05976	14.5
127.03909	12.5
127.07497	9.3
128.06201	5.9
129.06998	5.7
131.04919	7.0
131.08522	8.6
133.06487	6.7
133.10115	27.5
135.04414	61.8
135.08032	18.3
137.02333	6.2
137.05965	14.7
137.09657	3.7
139.03889	33.3
139.07503	23.4
141.06989	4.8
142.07736	5.7
143.07002	8.2
143.08513	8.7
145.10144	17.3
147.08023	6.0
147.11658	59.0
149.09572	7.0
151.03860	9.7
151.11162	7.9
153.01830	67.5
154.02122	4.5
155.08481	6.7
157.08553	11.2
157.10098	17.1
159.06506	18.1
161.09558	4.2
161.13234	12.9
163.03915	42.7
163.11165	9.2
165.05446	8.0
165.12726	17.0
169.12230	23.5
171.02847	8.9
171.08005	4.2
171.11668	16.9
173.09657	7.0
175.11218	36.2
189.12758	23.7
191.10503	4.2
193.12247	33.2
199.11093	21.0
207.13786	13.9
211.13251	36.0
216.17636	4.3
217.12241	100.0
218.12596	6.2
229.14317	14.2
235.11107	5.4
235.13278	74.0
243.13889	9.4
253.14430	27.7
271.09653	4.1
271.13245	8.8
289.06946	40.7
289.10135	6.5
289.14020	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	289.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21544	6.6
53.03949	11.7
53.62110	7.4
55.01870	12.0
55.05508	28.9
61.25063	7.1
65.03935	7.0
66.30443	7.3
67.05508	35.0
69.03432	45.4
69.07071	43.9
71.04995	76.8
71.31100	12.7
71.31479	9.7
79.05513	44.6
79.05888	7.8
81.03426	18.4
81.07063	79.5
83.04969	36.3
83.08633	11.0
85.02897	21.4
85.06535	15.2
91.05491	34.5
93.07053	75.7
95.04967	30.0
95.08603	58.7
97.02883	18.2
97.06522	20.6
99.04465	20.5
99.08087	11.4
102.85027	7.2
103.03948	14.1
103.05385	8.8
105.04510	8.0
105.05495	10.3
105.07034	52.0
107.04958	29.7
107.08590	74.5
109.02879	10.3
109.06516	32.5
109.10172	56.7
111.08069	18.2
113.06022	21.9
117.06980	10.8
117.30921	7.4
119.08573	49.9
121.06571	9.4
121.10153	48.0
123.04436	28.2
123.08056	25.9
123.11731	15.8
125.09663	18.5
127.03884	45.8
127.07585	14.7
127.11197	32.5
129.07011	8.8
131.08594	27.0
133.06549	7.9
133.10164	30.2
135.04405	55.4
135.08003	9.7
135.11682	11.1
137.06030	12.2
137.09613	100.0
139.03935	37.2
143.08614	9.1
145.05000	8.1
145.10123	25.8
147.11681	44.0
149.02371	24.1
149.09595	39.8
149.13261	26.5
151.03844	19.1
151.11171	11.5
153.01866	24.8
155.10689	38.7
157.10187	15.0
159.11726	13.1
161.05997	10.0
161.09622	17.1
163.03944	17.8
163.11192	12.6
165.12776	13.8
167.10698	14.3
167.14333	15.0
175.14857	10.9
189.16422	9.8
197.05894	9.0
199.14893	12.2
205.15855	10.6
213.05696	8.6
215.06947	12.9
217.15878	31.0
223.16791	11.2
235.16946	54.7
243.06517	16.7
253.18001	32.1
271.06015	10.9
289.10184	33.5
289.14404	9.0
289.17639	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	290.0635
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73693	8.4
55.05487	8.6
56.96564	21.6
60.05635	13.7
70.06592	50.0
71.04975	8.9
71.29864	11.3
73.69279	7.8
78.02790	7.6
82.06553	14.0
84.08127	16.2
85.02887	8.3
93.40392	8.3
97.02888	12.1
101.00845	9.9
102.43203	7.6
116.07091	14.9
128.07045	23.2
143.00194	13.4
155.01810	10.2
175.11887	45.7
254.10168	8.3
272.11334	11.7
290.06326	100.0
290.12192	76.7
291.07617	13.4
291.10718	64.4
291.13220	47.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0111
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.4
55.05508	1.6
56.96560	4.3
60.05650	8.3
65.03933	1.2
67.05492	2.8
68.99800	2.0
69.90897	2.7
69.91289	2.2
70.06592	42.1
71.01354	1.3
71.04990	7.3
72.08150	4.2
74.02431	2.5
79.05504	1.1
81.07040	1.3
83.04987	2.4
84.96024	2.4
85.02911	1.2
85.07610	1.0
88.07643	2.8
89.02387	0.9
91.05491	2.2
95.04961	3.9
95.06084	4.5
97.07650	1.4
98.06033	1.3
98.97600	5.1
110.02361	1.1
111.04427	3.9
112.08726	9.6
113.07130	1.7
115.05454	2.4
115.08682	7.5
116.03476	2.9
116.07095	13.1
116.98629	3.8
119.04945	4.8
123.04426	67.5
124.04743	2.0
127.03873	1.6
130.09737	4.3
131.04904	1.0
133.02626	1.2
133.06474	1.3
134.04500	2.6
134.99614	1.6
139.03897	100.0
140.04251	1.1
140.07039	1.0
141.04317	1.0
143.00116	1.5
143.04964	2.2
147.04414	22.2
151.03860	2.0
157.10857	1.4
158.09238	4.4
161.01195	4.2
161.05966	7.3
163.03941	2.7
165.05490	14.1
168.06520	2.4
169.04869	1.5
175.11900	27.5
177.05299	1.2
179.07034	3.9
185.09190	1.1
186.07578	1.8
189.05449	2.4
196.06026	2.2
207.06468	7.2
213.08559	2.4
214.07054	2.4
217.12856	1.1
223.14096	1.0
228.09772	1.1
231.09639	1.1
232.08154	5.6
238.08139	0.9
240.40370	1.3
245.09091	1.1
245.12474	1.9
249.07524	1.6
256.09244	2.4
256.52328	1.0
273.07474	2.3
273.12140	1.8
290.94733	2.6
291.09247	3.4
291.12955	51.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45369	6.4
56.48127	7.3
56.96556	27.3
60.05651	27.9
69.31055	23.1
69.31474	33.6
70.06591	100.0
71.04988	15.9
72.08150	8.0
84.08147	16.1
95.06054	10.1
98.97582	10.7
101.00887	11.2
112.08722	13.0
115.08672	11.4
116.03468	10.2
116.07074	27.3
121.01688	10.6
123.04436	10.6
124.99130	9.7
139.03854	9.4
143.00119	16.8
158.09286	12.3
164.98442	8.2
175.11925	70.9
176.28001	7.2
189.06009	7.4
214.07016	8.7
232.08144	15.6
238.08255	10.4
249.02718	12.8
256.09222	9.2
265.76154	7.1
291.08215	47.9
291.10440	70.1
291.13300	69.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96270	0.3
53.03947	0.5
55.01870	1.5
65.03938	1.0
67.05501	1.3
68.99780	1.8
70.28481	1.2
73.37913	0.3
81.03414	0.5
83.04973	2.0
85.02862	0.4
86.38616	0.3
91.05453	2.1
93.03394	0.9
95.04957	2.8
97.02898	0.5
105.03391	1.0
105.04424	0.4
105.07021	0.6
107.04935	0.4
111.00854	0.3
111.04440	3.3
115.05442	1.6
119.04926	6.7
123.04415	72.3
124.04740	1.9
127.03887	1.1
131.04921	0.4
133.06491	1.0
135.04387	1.0
137.02336	1.1
137.05945	1.0
137.31038	0.3
139.03883	100.0
140.04204	2.1
143.04926	2.3
147.04391	22.4
148.04745	0.6
149.05899	0.5
151.03877	2.6
151.07533	0.5
153.05396	0.9
161.05957	8.3
161.27490	0.3
163.03889	2.3
165.05458	14.0
169.04909	1.4
177.05467	1.1
179.07008	2.4
181.04906	0.6
189.05405	2.1
205.08484	0.4
207.06505	6.2
244.77672	0.4
244.79997	0.3
249.07492	1.6
257.85126	0.3
273.07693	1.6
291.08612	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18961	0.3
53.03944	0.5
55.01868	1.4
57.05763	0.3
58.94691	0.4
61.93159	0.4
62.68152	0.4
65.03933	1.2
67.05502	1.1
68.99788	1.7
69.03438	0.7
71.04978	0.6
71.05321	0.8
72.74891	0.4
73.47938	0.4
77.03957	0.6
83.04984	1.1
83.11189	0.3
85.02899	0.8
90.13639	0.4
91.05488	1.7
92.34639	0.4
93.03398	1.5
95.04970	2.3
105.03342	0.6
111.04440	3.0
115.05461	1.2
119.04945	6.0
123.04423	65.4
124.04738	1.3
127.03925	1.4
127.80894	0.4
133.06502	0.8
135.03400	0.4
135.04378	0.9
136.81799	0.4
137.02322	0.8
137.05956	1.1
139.03893	100.0
140.04240	2.6
143.04900	2.4
147.04401	21.7
150.94522	0.3
151.03906	1.8
151.07549	0.5
153.05420	0.8
159.04465	0.7
161.05965	6.8
163.03905	1.9
165.05472	15.0
166.05785	0.4
169.04970	1.6
177.05453	0.9
179.07021	2.0
181.04927	1.2
189.05447	1.6
198.98912	0.4
199.15451	0.4
205.08424	0.5
207.06499	7.2
243.52960	0.4
249.07643	0.7
273.07620	0.9
291.08646	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	291.0859
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
51.02374	0.3
55.01865	1.2
55.05511	0.3
65.03941	0.8
67.05487	1.1
68.99765	1.4
69.03421	0.3
70.28595	0.8
76.39710	0.3
82.82014	0.3
83.04980	1.0
91.05473	1.3
93.03400	0.6
95.04951	2.1
97.02915	0.5
105.03387	0.5
108.15223	0.3
111.00841	0.3
111.04443	2.2
115.05436	0.7
119.04939	4.2
123.04420	61.3
124.04745	1.0
127.03893	1.4
133.06480	0.8
135.04407	0.4
137.02338	0.5
137.05988	0.6
139.03891	100.0
140.04230	2.0
143.04881	2.1
147.04395	19.4
148.04747	0.8
151.03879	2.4
151.07545	0.4
153.05466	0.7
161.05969	6.9
163.03917	2.0
165.05469	16.2
166.05830	0.5
169.04951	1.7
177.05443	0.5
179.07004	2.6
181.04971	0.7
189.05461	1.6
205.08684	0.4
207.06500	6.5
231.06570	0.6
249.07532	1.7
273.07562	2.3
291.08609	5.4
292.09030	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.086
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
53.03941	0.5
55.01878	1.3
65.03929	1.1
67.05486	1.6
68.99793	1.8
71.05374	0.8
83.04968	1.2
91.05470	1.9
93.03397	0.8
95.04958	3.1
97.02882	0.7
105.03398	0.7
111.04454	2.8
115.05457	1.8
119.04936	7.0
121.02870	0.6
123.04423	69.5
124.04731	0.9
127.03931	1.1
133.06442	0.8
137.02298	0.6
137.05949	0.9
139.03894	100.0
140.04248	1.9
143.04912	2.2
147.04398	23.2
148.04771	0.8
151.03879	2.0
153.05481	0.6
161.05975	8.1
163.03929	2.2
163.07506	0.4
163.33031	0.4
165.04082	0.8
165.05473	16.1
169.04962	1.6
177.05466	1.2
178.83998	0.5
179.06979	2.9
181.04993	1.0
189.05498	1.5
207.06558	7.1
231.06404	0.5
249.07520	1.8
273.07544	1.9
281.14169	0.5
291.08578	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	291.086
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
51.02361	0.3
53.03939	0.5
55.01874	1.4
57.36513	0.3
65.03950	1.0
67.05500	1.3
68.99789	2.2
69.03401	0.3
70.06581	0.4
70.92274	0.6
74.33349	0.3
83.04990	1.3
85.02885	0.5
91.05477	1.7
93.03394	1.2
95.04973	3.0
97.02879	0.6
105.03381	0.7
105.07000	0.5
111.04440	3.0
115.05426	1.4
119.04926	7.1
121.02904	0.4
123.04420	69.5
124.04771	1.3
127.03898	0.9
133.06461	0.6
135.04402	0.7
137.02330	1.1
137.05991	0.5
139.03889	100.0
140.04224	2.3
143.04913	2.8
147.04395	22.7
149.06013	0.6
151.03893	2.6
151.07532	0.4
153.05397	0.6
159.04398	0.4
161.05978	8.2
163.03905	1.8
163.07668	0.4
165.05473	13.8
169.04973	1.4
177.05455	1.0
179.07013	3.0
181.04926	0.8
189.05505	1.9
207.06511	7.7
232.98700	0.4
249.07520	0.9
273.07452	1.2
291.08609	4.2
291.13000	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1227
Annotation	Wentilactone B
Peak:m/z	Relative Intensity
53.03941	6.3
55.01862	16.0
55.05503	6.4
58.87811	2.6
59.05000	6.9
64.47111	3.4
67.05497	5.4
68.99804	2.9
69.03429	12.2
69.07072	5.1
71.04987	10.9
71.32114	3.6
73.06542	2.6
79.05491	10.0
80.36038	3.0
81.03413	55.8
81.07059	8.2
83.05018	7.2
85.02906	49.9
85.42809	2.6
91.05488	21.7
93.07038	17.8
95.01354	6.0
95.04985	9.8
95.08615	8.4
97.02895	12.3
101.06028	2.9
101.51517	2.7
103.05468	13.6
105.07014	21.1
107.04961	7.2
107.08614	8.1
109.02883	9.3
109.10165	6.6
111.04458	34.0
115.05437	19.1
117.05558	2.6
117.07015	23.4
119.04961	7.0
119.08589	10.8
121.06509	4.9
121.10144	29.4
123.04438	37.0
125.09635	11.8
127.03926	3.5
127.11190	5.3
128.06229	11.9
129.05484	6.8
129.07019	23.9
131.04935	18.0
131.08580	11.1
132.05701	5.3
133.06488	9.2
133.10109	31.1
135.04361	3.4
135.08086	3.5
137.05991	24.7
139.03893	50.5
139.05499	4.3
141.06982	22.5
142.07814	3.7
143.04939	9.0
143.08591	9.5
143.10657	32.0
144.05696	9.2
145.06462	21.0
145.10126	5.2
147.04387	16.6
147.08084	5.6
149.05975	18.8
151.07536	90.9
152.06207	11.1
152.07893	3.1
153.06993	7.0
155.08626	4.4
157.06517	20.3
157.10143	4.1
158.07286	7.3
159.08080	8.0
159.11717	5.2
160.05171	14.7
161.05952	21.2
161.09650	3.8
163.07538	21.6
164.08287	3.4
165.05487	11.8
165.06909	6.3
165.09137	6.5
167.07179	4.6
167.08528	16.8
169.06476	22.5
170.07248	5.9
171.08041	24.2
173.06001	12.4
173.09619	3.1
174.06758	14.0
175.07549	100.0
176.08076	5.2
177.05473	15.4
177.06897	3.7
177.09097	30.0
179.07024	4.4
181.06454	8.3
182.11336	3.2
183.08006	4.5
184.05170	3.6
185.05963	19.5
185.09651	10.2
186.06798	10.4
187.07567	16.9
188.08400	6.3
189.05475	5.8
189.09111	24.1
189.16403	10.6
191.07022	14.3
191.10727	7.1
193.08551	25.7
195.08078	29.2
195.10197	8.7
197.05943	13.4
198.06822	8.7
199.07625	16.8
201.05467	12.5
201.09065	39.8
201.16457	3.4
203.07025	17.3
203.10699	10.7
205.06836	3.3
205.08646	13.2
207.06631	4.3
207.17549	6.1
211.07585	4.1
212.08365	6.9
213.05499	9.5
213.09079	17.2
214.06361	3.3
215.07045	11.0
215.10594	4.8
217.08513	22.7
219.10107	13.5
219.17506	8.1
223.07588	12.8
227.07071	12.1
227.10486	14.1
229.08601	33.2
230.09517	4.6
231.10013	17.0
237.18588	4.8
241.08652	16.0
243.10229	3.2
245.08064	36.0
245.11754	11.9
247.09708	11.4
255.10031	14.1
259.09592	5.6
261.11264	4.2
273.11237	38.8
291.05270	4.9
291.12308	99.4
291.17001	4.9
291.19720	3.5
292.12604	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	291.1296
Annotation	(N(omega)-L-arginino)succinic acid
Peak:m/z	Relative Intensity
55.05514	2.2
57.72612	0.7
58.06601	0.8
60.05646	20.7
68.05013	1.4
70.06587	93.2
71.01344	1.8
71.04611	1.4
71.04985	16.8
71.06912	2.1
72.08144	6.6
74.02436	2.8
84.92327	0.6
85.07623	0.9
88.03965	1.0
88.07638	3.4
89.02373	1.6
90.99667	0.7
95.06090	11.2
95.06659	1.2
97.07656	2.7
98.02413	4.7
98.06046	3.7
99.04435	0.8
100.03967	1.2
106.01693	0.6
110.02407	3.3
112.08717	18.6
113.07124	2.5
114.05530	1.1
114.10268	1.7
115.08694	11.3
116.03440	6.2
116.07082	23.6
118.08652	16.1
124.03957	1.1
128.03471	0.8
128.07021	0.8
130.09761	9.8
134.04492	5.2
140.07034	2.4
140.08156	1.5
141.06477	0.7
142.05028	0.8
144.06631	0.8
150.05515	4.2
152.07021	1.6
157.10820	2.1
158.09232	9.2
159.07626	0.6
162.11244	3.8
168.06555	5.4
170.08167	1.2
175.11894	72.6
176.12285	1.0
181.93616	0.7
184.07092	0.8
185.09172	1.3
186.07611	3.6
186.91702	2.9
188.09189	1.8
195.07658	3.6
196.06009	5.7
210.08678	2.5
213.08675	2.2
214.07069	5.4
217.12822	0.8
228.09724	1.9
231.09711	1.3
232.08139	10.3
238.08296	5.5
245.12634	1.4
256.09250	6.0
273.11884	1.3
274.07523	0.8
274.10306	2.3
291.12964	100.0
292.13168	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	291.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06094	1.3
55.05507	3.9
56.96310	1.9
56.96563	24.5
58.06601	1.7
58.99844	1.4
60.05385	1.6
60.05650	22.4
68.05023	2.7
69.03422	2.4
70.06590	98.3
71.04988	17.6
71.32607	3.1
72.08155	7.5
73.06536	1.5
74.02435	3.0
81.03404	1.8
84.96032	12.4
88.07623	2.8
95.06084	9.5
97.02876	2.5
97.07635	4.2
98.02409	2.7
98.06036	4.8
98.97581	13.5
101.00864	11.1
103.00620	8.8
107.69413	1.9
110.02402	2.1
111.04437	2.2
112.08723	16.7
113.00890	2.4
113.07111	4.1
114.10230	2.7
115.00670	3.7
115.08699	9.6
116.03450	5.9
116.07095	24.2
116.98627	7.9
118.08642	6.6
119.01921	25.4
120.01992	2.3
121.01656	15.8
123.04419	6.3
124.99136	7.8
127.03858	1.9
128.07048	1.4
130.09753	9.2
131.01894	9.8
133.01657	4.7
133.03421	1.8
134.04460	4.8
134.99606	4.2
135.03195	3.9
137.02942	4.4
139.02739	2.8
139.03879	10.4
140.07047	4.3
140.08092	1.8
143.00174	16.2
143.01874	8.5
144.98065	3.4
145.01653	2.9
145.03453	2.4
150.05479	3.9
152.07019	2.8
155.01912	3.0
157.03416	2.3
158.09273	7.9
158.99603	1.9
161.01212	21.3
161.02933	23.5
162.11234	5.4
162.99162	3.6
163.02637	7.3
168.06543	5.1
168.98148	1.7
170.99611	1.8
173.01315	1.9
173.02942	10.1
175.04395	2.7
175.11899	74.7
177.00746	6.4
179.02203	4.9
185.02916	4.4
185.09106	1.9
186.07607	2.4
187.04843	1.7
189.00699	3.3
189.02332	2.9
191.02238	2.5
191.03937	2.8
195.07605	4.3
196.06020	6.8
201.06081	2.3
203.04010	5.4
205.00125	5.3
207.01765	1.6
207.06602	1.8
210.08693	3.3
212.34810	1.7
213.06175	1.5
213.08620	3.7
214.07005	6.2
217.00262	3.1
219.01834	10.6
223.01230	12.4
228.09750	2.3
231.07242	1.8
232.08163	10.2
236.99670	1.9
238.08150	5.4
245.04982	1.9
247.02928	1.9
248.99182	2.4
249.02823	5.1
249.07207	3.4
256.09290	4.7
267.00168	5.2
267.03976	1.7
273.11813	2.2
274.10300	2.7
276.02444	1.7
277.04132	2.4
291.04184	2.9
291.09241	18.5
291.12918	100.0
292.13239	3.0
309.04901	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.18
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.6
55.01869	4.6
55.05509	9.2
57.03433	8.1
57.07059	1.7
59.05004	3.1
61.02930	7.1
65.03928	1.7
67.05506	7.4
69.03423	26.3
69.07065	100.0
70.68516	2.9
71.01349	2.8
71.04996	5.5
73.02914	4.5
79.05489	3.9
81.03410	10.9
81.07066	8.4
83.04971	5.0
83.08621	5.9
85.02901	96.8
85.06541	7.3
87.04460	2.1
91.05485	6.7
93.07061	8.3
95.04972	7.5
95.08617	4.8
97.02889	17.2
97.06527	3.1
99.04456	4.1
99.08073	3.9
103.03957	2.2
103.88497	1.5
105.07046	6.1
107.04963	2.0
107.08571	8.6
109.02877	10.0
109.06524	3.8
109.10157	8.9
111.04425	3.3
111.08080	29.1
111.11727	22.1
115.03899	2.6
115.05504	2.0
119.04927	6.2
119.08559	3.8
121.06541	2.3
121.10146	3.8
123.04414	41.8
123.11710	5.0
124.04762	4.5
125.09641	3.9
127.03911	18.9
127.11208	8.6
129.05476	4.7
129.12740	21.6
131.08556	2.2
133.04927	1.8
133.10132	5.7
135.08017	3.2
135.11687	3.6
137.05977	2.8
137.09576	3.8
139.03893	75.0
139.07495	3.5
139.11189	5.1
140.04250	1.9
141.12743	13.5
143.04938	2.4
143.08565	2.9
145.04933	10.9
145.10141	3.1
147.04388	16.9
147.11694	3.0
149.09644	2.9
151.03876	3.0
151.11172	4.5
159.11636	3.6
161.05994	6.6
161.09595	3.2
163.03862	2.2
163.06067	2.8
163.11209	2.6
165.05490	9.4
165.12750	2.3
167.03436	5.4
169.12299	3.0
173.49222	1.8
179.06992	3.2
179.10713	5.0
189.12733	2.4
193.12315	1.8
195.08627	1.8
195.13809	3.9
197.11848	3.7
201.12575	2.0
207.06534	7.1
207.13892	3.0
215.12756	2.1
219.13799	7.6
227.11778	4.6
237.14885	9.6
245.13110	1.6
255.11440	1.9
255.15919	6.5
273.12259	5.6
273.16925	4.5
291.05386	1.8
291.08698	5.5
291.13217	1.9
291.18079	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	291.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.1
55.01871	3.2
55.05511	12.4
57.03437	6.4
57.07075	2.2
59.04998	2.7
61.02927	5.2
67.05508	5.0
69.03429	22.3
69.07066	99.1
70.07407	1.4
71.01354	2.1
71.04341	2.3
71.04989	5.3
73.02925	3.9
79.05495	3.5
81.03412	11.1
81.07055	8.0
83.04993	4.9
83.08612	3.7
85.02904	100.0
85.06544	7.5
86.03239	1.5
87.04463	2.1
89.14906	1.2
91.05464	3.9
93.07036	7.2
95.04990	4.7
95.08604	3.9
97.02892	19.2
97.06532	2.4
97.10160	1.2
99.04451	6.2
99.08098	4.6
102.48238	1.2
103.03953	1.6
105.07023	4.6
107.05005	1.4
107.08588	8.3
109.02866	11.2
109.06541	2.9
109.10163	9.0
111.04430	5.7
111.08078	28.2
111.11720	23.8
115.03940	4.8
115.05363	1.2
119.08584	4.1
121.06525	3.0
121.10162	3.5
123.04433	8.0
123.08099	2.2
123.11708	4.6
125.09644	4.1
127.03918	20.9
127.11201	7.1
129.05511	3.3
129.12747	18.1
131.08600	3.6
133.04907	1.6
133.10091	5.2
135.08064	4.1
135.11685	5.7
137.05907	1.2
137.09625	2.3
139.03906	11.8
139.07549	2.7
139.11156	4.4
141.09084	1.2
141.12743	18.2
143.08556	1.1
145.04959	9.7
145.10110	2.2
147.04408	3.7
147.11723	3.9
149.09602	3.6
151.11206	4.0
153.12764	1.8
159.08095	1.8
159.11708	2.3
161.05986	1.1
161.09639	3.2
163.06096	4.6
163.11186	3.0
165.12726	3.5
169.12228	3.3
170.80672	1.0
175.11229	1.7
177.12759	2.4
179.10657	6.4
181.08788	1.0
183.13852	1.9
195.13869	2.8
197.11740	4.4
201.12712	2.1
207.13777	2.5
215.12791	1.3
219.13837	6.7
225.14905	1.9
227.15561	1.3
237.14888	9.7
255.16017	8.6
273.16895	3.7
291.17599	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	291.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	0.6
53.03949	1.7
55.01872	5.6
55.05511	14.2
57.03437	8.0
57.07071	2.5
59.04999	3.2
59.55393	0.5
60.77027	0.7
61.02922	6.5
65.03951	0.7
67.05506	7.7
69.03426	21.9
69.07066	97.8
70.07390	1.0
70.84039	1.3
70.84385	0.5
71.01354	1.5
71.04990	7.0
73.02915	3.5
79.05484	5.9
81.03416	12.8
81.07054	13.8
83.04980	4.9
83.08617	5.6
85.02901	100.0
85.06535	8.7
86.03230	0.9
87.04466	2.4
91.03928	0.8
91.05476	7.3
93.07037	11.3
95.04972	4.4
95.08607	7.3
97.02885	17.4
97.03496	1.1
97.06522	2.7
97.10167	1.9
99.04445	4.2
99.08086	6.5
101.02351	1.2
101.06005	1.2
103.03918	1.8
105.07030	9.4
107.04941	1.5
107.08584	11.1
109.02870	13.3
109.06513	3.3
109.10151	8.7
109.16994	0.6
110.03188	0.9
111.04447	3.9
111.08080	26.9
111.11713	29.1
115.03927	3.9
115.05415	0.6
117.05514	0.7
117.07043	2.7
119.04942	1.3
119.08574	5.8
121.06490	3.5
121.10132	4.4
123.04430	9.6
123.08069	2.1
123.11709	5.8
125.05985	1.0
125.09592	4.2
127.03910	19.2
127.07558	0.7
127.11192	8.9
129.05499	5.1
129.06989	0.9
129.11798	1.0
129.12753	18.6
131.08580	4.2
133.04971	3.1
133.06462	1.0
133.10121	5.5
135.08034	2.8
135.11705	5.7
137.05966	2.0
137.09595	5.0
137.13229	0.8
139.03905	12.7
139.07521	2.6
139.11183	6.3
141.09073	1.5
141.12741	17.7
143.04921	0.8
143.08540	1.6
145.04948	10.9
145.06181	1.0
145.10110	3.4
147.04372	2.6
147.08109	0.9
147.11668	4.9
149.09627	4.3
149.13240	2.0
151.07480	1.1
151.11177	3.4
153.09105	1.0
153.12724	1.9
155.10620	0.9
157.10095	1.4
159.08066	1.3
159.11720	3.1
161.05945	1.5
161.09587	3.5
161.13226	0.8
163.06010	3.2
163.11136	3.5
163.14816	1.2
165.05458	1.6
165.09108	0.9
165.12750	3.7
167.10660	1.4
169.12234	3.2
173.09523	0.8
173.13232	1.7
175.11162	1.7
177.09113	1.4
177.12769	4.0
179.06993	0.8
179.10687	5.0
181.12160	1.1
183.13727	0.9
189.12700	1.5
191.14276	1.2
193.12300	0.8
195.13869	2.5
197.11673	3.9
201.12711	2.1
205.08179	0.7
207.06479	1.1
207.13763	2.5
215.12694	1.0
219.13811	6.2
225.14757	1.3
237.14830	9.4
238.15060	0.7
255.15860	8.4
273.16498	3.7
291.09222	1.0
291.12656	0.8
291.17880	2.6
291.23080	1.2
291.26566	1.2
292.18634	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.4
55.01869	4.4
55.05511	10.1
57.03444	7.9
57.07073	1.2
58.66765	1.0
59.04994	3.7
61.02930	5.4
61.81449	1.0
63.10075	0.8
64.17215	0.8
65.03944	1.0
67.05505	7.3
69.03432	21.0
69.07070	100.0
69.10126	6.5
70.07407	2.2
71.01365	1.2
71.04994	5.5
73.02923	2.8
79.05492	4.2
81.03423	12.1
81.07057	12.0
83.04997	5.4
83.08629	4.4
84.94595	0.9
85.02908	94.3
85.06538	8.6
86.03282	1.3
87.04459	2.3
91.05476	5.3
93.07040	9.4
95.04963	3.2
95.08610	6.9
97.02895	17.5
97.06557	2.9
97.10162	2.1
99.04467	5.2
99.08092	3.8
101.02387	1.1
101.05977	1.0
103.03945	1.6
105.07034	8.4
105.53774	0.8
107.04936	2.1
107.08592	9.2
109.02889	11.8
109.06506	3.8
109.10152	10.4
111.03749	0.8
111.04457	3.9
111.08087	27.7
111.11720	28.4
112.12060	1.4
113.09610	0.9
115.03936	3.9
117.07053	1.5
119.04915	1.0
119.08546	5.2
121.06503	2.8
121.10142	5.8
123.04443	7.4
123.08073	2.7
123.11717	6.4
125.06002	1.0
125.09639	2.5
127.03922	18.7
127.07614	1.2
127.11214	6.7
129.05476	4.8
129.06967	1.2
129.12758	18.2
131.08629	5.0
132.03993	1.0
133.04991	1.9
133.06512	1.2
133.10144	5.2
135.08076	3.0
135.11731	5.1
137.05960	2.2
137.07359	1.0
137.09622	5.8
139.03896	9.3
139.07584	2.9
139.11212	4.8
141.09071	1.4
141.12741	16.2
141.13802	1.5
143.08582	1.9
145.04951	11.4
145.10098	3.9
147.04404	2.6
147.08086	1.6
147.11694	3.2
149.09644	4.0
149.13283	2.4
151.03891	0.9
151.07484	1.1
151.11163	2.7
153.12700	2.1
155.10646	1.2
157.10121	1.4
159.01045	1.0
159.08034	1.8
159.11705	2.7
161.09633	3.9
163.06001	3.2
163.11145	4.1
165.09128	1.0
165.12727	3.3
169.12254	3.4
175.11235	1.8
177.12755	3.8
179.10710	4.5
181.12267	1.1
193.12270	1.0
195.13834	2.0
197.11710	2.7
201.12828	2.1
207.13809	2.2
215.12801	1.3
219.13831	6.9
225.14896	1.6
237.14848	8.3
255.15921	10.0
273.17139	3.0
291.15332	1.6
291.18237	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1953
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03939	0.8
55.01870	2.4
55.05263	0.4
55.05511	6.6
57.03438	0.5
57.07061	0.2
63.22498	0.2
67.05503	4.8
69.03426	1.4
69.07068	2.6
69.54354	0.2
69.70210	0.8
69.70626	0.4
71.04980	0.9
73.06524	0.3
79.05492	7.0
79.05948	0.4
81.03429	1.2
81.07053	6.2
82.07377	0.3
83.04992	1.4
83.08616	3.6
83.23870	0.2
85.06546	0.5
91.05479	6.0
93.07040	5.9
94.04215	0.4
95.04967	2.4
95.08605	3.3
97.06539	0.7
97.10170	3.5
103.05449	0.2
105.03348	0.3
105.07030	5.9
105.07731	0.3
107.04964	3.5
107.08586	3.2
108.05750	0.4
109.06523	1.0
109.10145	1.1
111.08077	0.4
115.05414	0.5
116.06224	0.4
117.07028	2.2
119.04951	1.3
119.08571	4.5
120.05740	0.6
121.06499	2.3
121.10138	1.3
123.04429	0.3
123.08058	0.7
125.09641	1.6
128.06195	0.6
129.07014	1.4
130.07803	0.5
131.08565	3.4
133.06505	3.1
133.10121	1.4
134.07259	0.9
135.08055	2.1
135.11664	0.7
137.09598	0.7
143.08508	1.3
145.06490	0.4
145.10101	2.3
147.08047	3.9
147.11685	0.7
148.08858	0.3
149.09628	1.1
153.09061	0.3
157.10147	1.1
159.08031	0.3
159.11707	0.9
161.09610	1.1
162.10367	1.3
163.11188	1.0
165.09111	0.6
171.11668	0.7
175.11200	1.1
189.11235	0.3
223.13280	1.0
249.14873	2.0
252.24872	0.2
255.17345	0.5
260.61206	0.2
261.14899	0.4
262.15616	0.5
263.16339	0.4
273.18491	3.8
291.19531	100.0
292.19818	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	291.1953
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03944	3.7
55.01870	23.7
55.05513	19.1
56.05019	6.9
57.03439	16.6
57.07066	8.7
58.06596	2.7
58.07387	1.7
62.68635	1.5
65.03925	7.5
67.05499	75.1
69.03404	6.1
69.07066	11.6
70.17729	3.3
70.18079	4.7
71.04993	3.6
71.08637	1.9
74.06067	6.1
74.28765	1.5
75.06374	2.4
75.25616	1.6
79.05490	57.4
81.03405	4.7
81.07056	40.9
83.04985	8.2
83.08627	8.5
85.06535	4.5
88.07142	2.1
88.07626	24.9
89.07946	6.0
91.05476	45.4
93.07040	34.3
95.04963	99.4
95.08601	16.5
96.05276	1.5
97.06507	6.6
97.10162	3.2
98.22622	1.5
104.07169	1.5
105.04453	2.6
105.06361	2.5
105.07022	34.2
105.07706	1.2
107.04947	35.4
107.08588	28.6
108.08871	2.2
109.06512	70.1
109.10135	5.4
110.06808	2.4
111.08088	3.2
115.05457	4.6
116.06232	3.2
117.07014	18.1
118.08643	3.5
119.06077	2.4
119.08551	15.4
121.06499	12.9
121.10118	8.0
121.60466	1.4
122.08132	2.4
123.08044	7.1
125.09636	2.9
128.06174	3.9
129.06993	8.2
130.07729	1.7
131.08568	22.1
133.06479	7.3
133.10114	7.8
135.08047	100.0
135.11652	9.3
136.08307	2.6
137.06039	2.9
137.09648	3.1
138.91658	1.6
141.12816	1.5
143.08559	11.5
145.10117	17.7
147.08038	9.5
147.11667	5.6
149.09608	11.0
149.13188	4.2
151.11055	1.7
155.08603	1.9
157.10066	8.2
159.08005	3.0
159.11699	7.6
161.09607	11.0
163.11150	6.9
171.11755	2.5
175.11165	3.0
177.12735	3.9
177.60065	1.7
179.67737	1.5
180.10204	11.9
183.11682	3.5
185.13245	2.8
185.48972	1.8
187.11218	2.8
189.12825	2.1
195.11723	2.7
199.14771	3.3
201.12740	2.0
207.31215	1.6
217.15843	18.0
227.17870	3.9
236.16373	5.8
237.16333	2.0
243.25087	29.2
245.18950	3.2
255.17424	2.9
273.18448	33.5
274.18921	2.6
291.10284	2.5
291.19534	52.2
291.27185	78.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1953
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
51.02381	0.6
51.93366	0.6
53.03938	2.3
55.01874	21.5
55.05511	8.1
56.05031	1.3
57.03154	1.0
57.03436	16.2
57.07073	1.3
62.41205	0.6
64.28638	0.5
65.03928	2.1
67.05164	1.0
67.05503	14.5
69.03438	1.4
69.07074	3.5
69.61059	1.8
69.61465	1.2
71.04985	1.1
74.06097	0.8
77.03895	0.7
79.05491	39.1
80.37638	0.6
81.03407	1.3
81.07056	11.6
83.04971	1.2
83.08620	3.0
85.06528	3.0
88.07621	3.6
89.07950	1.4
91.05479	28.8
93.07046	18.3
94.04139	0.6
95.04966	4.0
95.08601	7.3
97.06517	2.1
97.10191	0.9
98.22647	0.9
103.05464	1.2
105.04495	0.7
105.07027	16.2
106.07346	0.7
107.04950	12.3
107.07844	0.7
107.08592	21.5
109.06516	67.7
109.10137	2.5
110.06844	2.0
111.08133	1.1
113.05994	0.9
115.05457	2.3
116.06210	1.7
117.07018	10.8
119.04913	1.4
119.06054	1.8
119.08569	5.8
121.06497	2.3
121.10130	4.0
123.08058	2.4
128.06201	1.2
129.07004	5.9
130.07785	0.8
131.08563	14.0
133.06477	1.3
133.09209	0.5
133.10091	4.4
135.08047	100.0
135.11601	3.4
136.08395	2.7
137.09601	0.6
138.05557	0.6
141.06947	1.0
142.07710	1.0
143.08542	5.5
145.06441	0.7
145.10121	7.1
147.08080	3.4
147.11688	1.7
149.09625	5.9
149.13237	1.8
157.10095	5.1
159.08066	1.9
159.11737	2.8
161.09622	8.7
163.11166	1.2
169.10136	0.7
171.11693	3.8
173.09589	0.9
173.13251	2.1
175.11200	2.9
177.12773	1.2
181.10097	0.7
183.11684	1.5
185.13248	2.2
187.11226	0.7
189.16370	0.8
195.11673	1.5
195.13730	0.7
199.11140	1.0
199.14821	3.2
201.12740	2.2
203.47672	0.6
217.15862	18.0
219.13725	0.8
227.17966	1.6
237.16382	1.1
243.25117	3.4
243.48399	0.6
245.19000	1.4
249.14577	0.7
255.17374	3.6
273.18454	16.8
274.18771	1.0
291.19540	40.3
291.27197	12.5
292.19879	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
53.03941	2.6
54.21918	0.6
55.01870	12.8
55.05263	1.2
55.05511	16.1
57.03436	21.3
57.07067	1.3
59.04984	0.7
65.03934	2.4
67.05499	25.3
69.03439	1.3
69.07069	7.0
70.58390	2.0
71.04997	2.1
79.05486	32.3
81.03416	1.9
81.07051	22.3
83.04974	3.1
83.08604	5.1
85.06541	6.6
91.05474	28.7
91.10458	0.7
93.07046	24.3
94.04194	0.9
95.04957	15.3
95.08596	12.8
97.06533	2.6
97.10162	2.9
99.04439	0.6
99.08115	1.1
103.05477	2.0
105.07026	23.8
106.07337	0.8
107.04946	8.7
107.07843	0.9
107.08580	19.4
109.06513	100.0
109.10141	4.7
110.06866	1.3
111.08068	2.2
113.05988	1.4
115.05434	2.9
116.06247	2.1
117.07011	12.6
119.04943	1.7
119.08574	13.8
121.06499	5.5
121.10149	6.8
122.10452	0.7
123.08082	5.6
123.11698	1.7
125.06017	0.9
125.09630	1.3
128.06216	2.8
129.07016	8.0
130.07759	1.7
131.08566	21.2
133.06514	3.2
133.10138	7.7
135.08046	50.2
135.11688	5.8
137.06003	0.7
137.09612	1.7
139.03961	0.7
139.07501	0.9
141.06941	1.2
142.07777	1.9
143.08559	9.6
145.10118	13.8
147.08051	6.1
147.11678	3.6
149.09604	8.3
149.13249	1.5
151.07570	1.5
151.11156	1.1
155.08553	1.3
157.10118	11.3
159.08047	2.6
159.11688	6.7
161.09613	13.9
161.13260	1.7
162.10452	0.9
163.11171	4.4
165.09152	1.3
167.08543	1.0
169.10159	1.9
171.08041	0.7
171.11699	5.8
173.09639	1.3
173.13245	2.3
175.11156	4.8
177.09219	0.8
177.12845	1.7
181.10046	1.5
183.11726	3.6
185.09650	1.2
185.13255	2.2
187.11244	1.4
189.12744	1.3
189.16409	1.1
191.07033	0.7
195.11702	2.7
195.13544	0.8
199.11215	2.5
199.14764	4.4
201.12740	2.6
207.13741	1.4
213.12755	1.2
213.16179	0.6
217.15866	22.1
219.13777	1.9
227.18021	2.6
229.23370	0.7
231.13837	0.8
233.15359	0.9
235.16888	0.8
237.16418	2.1
245.19046	2.1
255.17448	6.7
273.18466	33.8
274.18768	1.5
286.06543	0.7
291.19525	53.7
291.26950	3.0
292.19879	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
52.90488	0.4
53.03941	2.1
55.01874	18.8
55.05511	9.6
57.03434	14.9
57.03682	0.3
57.07063	1.8
59.04986	0.9
59.70015	0.5
65.03951	3.0
67.05162	1.0
67.05507	19.0
69.03422	2.2
69.07072	4.8
71.04974	1.7
74.89598	0.5
75.75896	0.5
79.05492	41.5
80.05861	0.7
81.03404	0.7
81.07057	17.0
83.04986	1.9
83.08601	3.3
85.06545	5.8
91.05480	32.4
92.05814	2.9
93.07046	19.7
95.04968	9.9
95.08601	8.3
97.06529	1.8
97.09571	0.5
97.10190	1.9
99.04456	0.6
99.08075	0.8
103.05460	1.4
105.04514	0.8
105.07027	18.9
105.78890	0.5
107.04957	11.2
107.08595	26.1
107.75929	0.5
109.06518	65.0
109.10136	4.4
109.10727	0.5
110.06886	1.0
111.08040	0.9
113.06010	1.4
115.05468	3.2
116.06231	1.6
117.07024	12.7
119.04947	1.6
119.06087	1.5
119.08569	7.1
121.06516	4.5
121.10138	5.0
123.08070	3.2
123.11658	0.7
125.09650	0.8
127.07502	0.7
128.06239	1.6
129.07016	6.5
131.08566	13.1
133.06522	2.5
133.10130	5.7
135.08052	100.0
135.11649	5.2
136.08415	2.9
137.09613	1.3
140.03508	0.5
141.06992	1.1
142.07777	1.0
143.08559	6.4
145.10120	8.4
147.08037	3.9
147.11661	1.6
149.09639	6.6
149.13269	1.6
151.11130	0.9
153.05481	0.7
155.08559	0.9
157.10126	4.9
159.08046	2.0
159.11694	4.9
161.09619	7.6
161.13225	0.8
163.11206	2.4
169.10138	1.2
171.11725	3.0
173.09592	0.6
173.13307	2.8
175.11179	3.0
177.12769	1.5
181.10178	0.6
183.11722	2.5
185.09604	1.2
185.13249	2.0
187.14699	0.5
189.12732	1.4
189.16393	1.2
195.11656	1.2
195.13760	0.8
199.11145	1.5
199.14809	3.7
201.12743	2.0
203.14270	0.7
217.15878	18.7
218.16223	0.9
219.13766	1.7
227.17999	1.6
228.83894	0.6
237.16502	1.0
245.18945	1.7
255.17497	2.9
273.18488	18.6
274.18851	1.6
291.19540	43.5
291.24942	1.5
292.19766	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	291.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	5.0
55.01870	13.2
55.05497	6.1
57.03430	7.3
59.04999	11.6
64.82991	3.4
65.03970	4.3
67.05501	12.9
69.03433	13.2
69.07070	17.5
71.04992	20.6
71.30949	7.3
79.05497	13.7
81.03420	41.1
81.07049	13.8
83.04987	9.0
85.02899	31.2
85.06542	8.9
90.26028	3.7
91.05489	19.2
91.99258	3.7
93.07053	30.0
95.01317	4.8
95.04975	12.8
95.08627	14.4
97.02911	16.2
99.04417	6.5
101.06022	3.9
103.05455	8.7
105.07041	37.6
107.04954	13.6
107.08574	21.1
109.02885	12.5
109.06583	5.1
109.10172	12.8
111.04482	24.3
115.05450	11.4
117.07054	11.5
119.04940	8.9
119.08595	20.0
121.10147	54.2
123.04428	68.0
125.09651	20.2
127.03912	9.6
127.11212	4.8
128.06244	9.4
129.05486	13.0
129.07034	13.2
131.04938	10.8
131.08601	7.6
133.06491	8.4
133.10114	52.4
135.08057	7.5
135.11647	5.0
137.05986	21.6
139.03897	100.0
140.04355	4.5
141.06987	12.9
142.07802	4.4
143.04947	9.0
143.08652	5.9
143.10678	40.9
145.06502	10.2
145.10147	10.4
147.04420	30.9
147.11720	11.3
149.05913	7.8
151.07536	42.1
151.11189	11.6
152.06241	5.4
157.06491	13.3
158.07246	6.3
159.08061	8.8
159.11710	12.7
160.05226	12.3
161.05981	25.5
161.09593	5.5
163.07545	9.7
165.05495	17.2
165.06859	4.6
167.08562	8.6
169.06502	10.3
171.08067	7.5
173.06020	7.4
175.07535	55.2
177.05432	12.0
177.09108	13.0
179.07060	8.3
185.05965	10.3
187.07555	10.2
189.09122	10.2
189.16411	16.3
191.07059	5.9
193.08649	15.6
195.08090	17.0
195.10126	5.3
197.06018	4.3
198.06670	3.8
199.07486	10.2
201.05327	4.8
201.09198	12.6
201.16435	5.8
203.07002	6.3
203.10687	6.9
205.08591	4.9
207.06563	9.5
207.17342	6.7
212.08331	4.3
213.05499	5.8
213.09145	9.0
217.08553	12.2
219.10266	4.3
219.17468	15.2
223.07439	4.9
227.07057	6.9
227.10545	5.3
229.08643	14.1
231.10194	9.8
237.18596	7.0
241.08586	9.3
245.08087	17.5
247.09526	4.8
255.10239	11.0
273.07983	5.9
273.11313	26.8
291.05038	9.6
291.09082	6.3
291.12302	53.0
291.16748	6.3
291.19754	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	6.1
53.59963	5.5
55.05507	12.2
59.05003	10.8
67.05490	16.3
69.03425	14.0
69.07066	10.6
69.18071	54.3
69.18417	8.8
71.04991	26.8
71.08650	5.4
78.43878	5.3
79.05483	23.1
81.03419	51.4
81.07056	26.9
83.04971	11.3
85.06556	9.9
89.31319	5.5
91.05459	19.8
93.07047	41.0
93.61073	6.1
95.04993	14.5
95.08598	15.0
98.60265	5.6
105.07031	36.7
107.08584	29.7
109.02898	12.6
109.10154	21.9
111.04446	8.1
111.08081	6.3
119.04915	8.7
119.08559	24.3
121.10127	96.6
123.04433	68.5
123.10466	6.1
123.11700	7.2
125.09650	28.3
127.03887	8.4
127.11185	8.9
129.07001	7.7
130.06528	9.7
131.08578	9.9
133.10141	100.0
135.08073	6.8
135.11682	10.9
137.05933	7.1
137.09572	7.6
139.03908	81.0
142.59097	5.8
143.10677	77.6
145.10132	11.3
147.04396	22.2
147.11658	16.5
159.09114	7.2
159.11711	17.0
161.05959	12.0
165.05507	13.0
167.61681	6.3
173.09497	6.6
174.01372	10.8
175.08702	13.5
181.08585	16.3
189.05309	7.0
189.16379	35.1
192.08090	5.2
201.16376	10.2
207.06523	8.1
207.17409	9.1
219.06522	6.7
219.17360	20.1
227.08188	9.1
237.18434	8.9
273.02072	11.4
273.11252	5.8
291.08841	21.2
291.13080	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	291.2316
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
52.55985	1.4
53.03950	3.8
54.22969	1.2
55.05510	17.2
57.07066	5.0
61.33608	1.4
61.52557	1.3
65.03948	2.5
67.05507	43.6
69.07070	18.8
69.60943	2.9
69.61362	5.8
71.04974	1.6
71.08624	1.6
73.06580	1.7
79.05491	67.6
81.07056	56.8
81.07552	2.3
83.04961	2.7
83.08619	7.6
85.06542	3.6
91.05482	23.3
91.06020	1.0
92.25149	1.5
93.07043	100.0
94.07413	1.6
95.04969	6.1
95.08605	40.0
96.08904	1.7
97.06540	4.8
97.10174	5.8
99.08109	2.0
105.04473	2.7
105.07025	20.2
107.08588	53.9
108.08923	2.0
109.06522	4.8
109.10157	18.7
111.08116	2.2
117.07014	3.5
119.08596	14.6
121.10136	45.7
123.08092	1.8
123.11698	5.9
129.07001	2.1
129.55760	1.4
131.08537	8.3
133.10124	15.4
135.08084	2.4
135.11691	59.2
137.09599	1.6
137.13281	2.1
140.03427	1.6
143.08546	1.5
145.10123	7.0
147.11691	11.0
149.09630	3.7
149.13251	33.5
151.11168	2.3
157.10130	2.2
159.11729	3.7
161.13257	9.7
163.11215	3.0
163.14830	11.2
164.15312	1.6
171.11702	3.5
175.14838	5.7
177.12726	3.6
177.16414	2.1
185.13330	3.4
189.12738	2.1
199.14729	2.2
203.14349	2.0
209.15407	3.0
213.16313	2.7
221.15457	2.3
231.17482	1.6
231.21161	2.7
241.19664	4.9
243.40860	1.6
249.18500	1.8
259.20563	8.0
273.18750	2.1
273.25897	2.8
275.08151	1.5
291.19943	3.5
291.23245	58.7
291.26831	9.0
292.19156	3.8
292.23499	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	291.2682
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
51.06076	0.7
53.03948	2.3
55.01865	1.2
55.05513	21.3
57.03447	2.1
57.07073	19.1
57.61171	0.8
65.03959	1.4
67.05505	38.6
68.05869	0.8
69.03428	1.4
69.07069	43.7
71.04986	2.9
71.08625	9.8
73.75570	0.9
77.03951	0.7
79.05494	21.0
81.03413	7.9
81.07057	88.5
83.04986	2.7
83.08618	22.6
85.06546	2.3
85.10191	2.3
91.05479	13.4
93.07047	35.8
94.47057	0.7
94.93462	0.7
95.04975	7.7
95.08607	100.0
96.08959	1.4
97.06531	6.2
97.10167	12.0
98.22626	1.8
99.08077	2.0
105.07028	21.2
107.04951	1.6
107.08594	30.4
109.06528	5.3
109.10157	51.5
110.10462	1.6
110.43639	0.7
111.08089	5.1
111.11718	7.5
111.38101	0.7
116.89605	0.7
117.07047	1.5
119.08583	15.0
121.10146	25.5
122.03315	0.7
123.04470	1.5
123.08058	2.0
123.11710	31.0
125.09647	3.2
125.13255	1.7
125.98277	0.7
131.08560	2.6
133.10135	12.0
133.11058	1.3
135.08086	1.0
135.11699	23.2
135.24300	0.7
137.09631	3.3
137.13260	21.8
139.03935	1.8
139.11186	5.5
143.08582	0.9
145.10097	1.4
147.11684	18.3
147.12866	1.0
149.09613	1.3
149.13257	19.7
151.11192	3.3
151.14818	4.6
153.12756	3.0
159.11710	1.2
161.13280	10.3
163.14816	16.1
165.12775	2.7
165.16376	3.3
167.10643	1.2
167.14275	1.7
171.05914	0.8
173.13310	0.8
175.14847	5.5
177.16371	7.8
179.14355	2.0
179.17946	1.5
189.16409	5.8
191.17982	3.3
193.15939	1.2
203.17903	3.8
209.19109	0.9
217.19510	7.0
228.82193	0.8
231.21060	0.8
233.22719	2.1
235.20547	1.0
247.24202	2.8
255.68883	0.8
273.18463	2.0
273.25748	19.9
274.26434	1.1
291.16025	1.3
291.19656	2.8
291.26810	69.5
292.27213	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	292.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06589	2.9
59.07378	2.6
60.05643	6.1
70.06586	10.4
71.29333	0.2
71.29679	0.2
72.08141	0.5
96.64098	0.2
105.65707	0.2
109.63918	0.2
112.08717	0.6
115.95356	0.2
116.07090	5.4
118.08646	100.0
119.09000	1.7
130.09763	2.6
157.10754	0.4
158.09230	1.8
175.11893	26.8
176.12131	0.3
205.31520	0.3
264.95667	0.2
292.19757	0.6
293.06512	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	293.0631
Annotation	Unknow
Peak:m/z	Relative Intensity
69.47392	9.4
69.47799	5.2
73.46277	2.0
80.04404	2.1
83.67856	2.6
98.22655	4.6
111.35448	2.4
115.12716	2.2
118.08666	20.8
119.08973	4.7
122.77270	2.2
133.79355	2.3
134.16824	2.2
143.01904	2.3
161.02985	4.0
175.12003	4.7
210.97197	2.4
293.06320	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0632
Annotation	Unknow
Peak:m/z	Relative Intensity
69.59568	11.7
69.59991	10.8
70.06596	4.6
89.44952	3.7
98.97557	4.8
101.00864	9.4
118.08652	52.2
119.01924	14.4
119.08989	11.8
131.01843	3.5
138.05460	5.4
143.01920	19.8
145.03412	5.4
150.34286	3.8
161.02960	27.6
163.04590	4.1
163.72964	3.4
173.02959	14.9
175.11957	12.3
181.45410	3.8
195.99362	4.0
203.04016	11.9
205.05542	5.0
217.05606	11.1
241.14067	3.4
244.64064	3.4
261.04868	4.2
283.34662	3.4
293.06320	100.0
294.06949	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	293.123
Annotation	Itoside L
Peak:m/z	Relative Intensity
53.03944	3.3
55.01889	2.9
56.96573	2.5
57.03436	5.3
57.07079	10.6
59.05010	3.1
61.02941	5.1
67.05511	17.8
69.03423	15.0
69.07079	2.7
71.04984	8.1
71.22229	3.2
71.22565	2.4
73.02921	3.0
79.05482	2.6
81.03427	4.2
85.02908	66.2
85.06555	9.2
87.52227	2.1
91.04018	2.8
93.07034	5.4
95.04960	27.3
95.08649	3.3
97.02896	16.1
98.97592	4.5
99.67274	2.0
101.74187	2.2
102.99583	2.2
107.04951	2.4
109.02890	5.8
113.06009	52.5
113.06755	4.2
115.07635	2.2
127.03906	11.5
128.15610	2.0
131.07042	100.0
139.03865	3.5
145.04945	14.5
163.05927	2.2
181.85942	2.1
191.03433	2.4
219.02950	3.6
237.02856	3.5
247.02350	5.8
293.11615	10.1
293.14447	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.7
55.28725	2.7
56.96568	5.3
57.03438	3.1
57.07074	5.1
59.04970	3.2
67.05509	23.4
69.03428	6.4
69.07081	4.1
70.41000	5.4
70.41364	5.1
71.04964	4.5
79.05498	3.6
81.03448	2.8
81.07059	4.2
84.04527	3.5
84.08165	3.9
85.02919	20.5
85.06546	12.4
93.07050	11.2
95.04973	26.3
95.08623	11.8
97.02902	7.4
98.97594	9.9
105.07062	3.1
107.04933	4.2
109.02840	2.9
110.06046	3.4
113.06013	100.0
116.98628	4.7
120.08111	3.8
123.04420	7.7
124.04858	2.9
127.48428	3.2
131.07037	58.8
135.04468	4.2
137.05942	3.0
139.03902	9.4
140.04242	6.3
141.04382	4.4
141.79355	2.8
145.04956	5.0
145.93320	2.9
147.04413	5.1
155.10722	4.4
166.03842	2.3
175.03748	2.7
191.03528	6.8
205.04993	2.8
219.02911	10.4
247.02338	6.3
275.02023	3.6
275.05319	2.8
275.10065	2.3
283.35971	2.5
293.02945	3.9
293.06296	3.8
293.11188	13.4
293.14526	4.8
299.38690	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	293.1357
Annotation	His His
Peak:m/z	Relative Intensity
52.28040	0.5
55.01863	0.5
55.05511	2.3
61.74228	0.5
63.84972	0.4
67.05503	4.0
69.03416	0.5
69.07062	2.1
69.24679	1.0
69.25081	2.4
71.04996	0.7
75.74145	0.4
79.05489	2.9
79.29263	0.4
81.03404	1.3
81.07050	4.0
83.08605	0.8
85.06536	0.6
91.05466	2.0
93.07029	3.6
95.04966	2.2
95.08595	3.1
97.06520	0.7
97.10137	0.7
105.07030	1.7
107.08624	2.1
109.06488	0.6
109.10149	1.6
111.08075	0.5
117.06996	0.6
119.08580	1.4
121.06536	0.5
121.10150	2.3
123.08073	0.8
125.09616	0.7
131.08559	0.9
133.10112	1.3
135.08043	0.7
135.11658	0.6
137.09560	0.8
145.10143	0.8
145.40744	0.5
147.11707	0.9
149.09598	1.3
151.11189	0.5
153.09047	0.4
155.08530	0.4
155.30106	0.5
163.11208	1.2
167.10658	0.8
177.12805	0.5
235.07611	0.7
247.20648	0.5
261.09088	0.8
275.12515	14.2
275.20032	2.0
278.09546	0.5
293.13586	100.0
293.20987	4.6
294.13943	5.1
297.91031	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1383
Annotation	40321-98-0
Peak:m/z	Relative Intensity
53.03946	1.6
53.55376	0.2
55.01865	0.3
55.05511	21.0
56.05850	0.2
56.52417	0.2
56.96029	0.2
61.98124	0.2
65.03932	1.7
67.05499	1.0
69.03439	1.3
69.07066	0.7
70.46595	0.4
70.46920	0.4
71.03139	0.2
71.04974	0.3
73.06555	3.8
76.17337	0.2
79.05482	1.3
81.03421	4.0
81.07063	1.3
83.08608	0.3
91.05477	2.7
93.03388	0.7
93.07047	2.6
95.04961	0.5
95.08592	0.8
103.05460	0.4
105.07016	1.0
107.08572	0.9
109.02876	1.7
109.10161	0.5
111.04457	0.4
115.05330	0.4
119.08601	0.6
121.02858	6.4
121.03942	1.0
121.06438	0.3
121.10149	1.8
123.08076	0.4
127.03925	0.4
129.07013	1.8
131.08553	2.3
133.10179	0.4
135.11703	0.4
143.04955	1.1
145.10088	0.5
147.08002	0.4
149.02338	100.0
149.09622	0.8
149.13272	0.3
150.02689	2.2
157.06487	0.4
161.05978	3.8
167.03433	0.8
175.07542	12.7
176.07880	0.6
185.05997	0.6
203.07028	11.4
204.07420	0.5
221.08084	5.1
221.10243	0.3
233.09718	0.3
234.10327	0.3
275.12848	0.5
275.20044	0.6
293.10901	0.4
293.13895	6.0
293.21207	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
53.17750	0.2
55.01868	0.3
55.05509	20.4
57.03438	0.4
57.07068	0.3
61.85238	0.2
65.03943	1.5
65.04251	0.3
67.05497	1.3
69.03419	1.4
69.07060	1.0
69.53745	1.0
71.04992	0.4
71.10941	0.2
73.06553	3.7
79.05495	1.4
81.02954	0.4
81.03413	4.9
81.07047	1.7
83.04971	0.5
85.02878	0.5
91.05473	2.5
93.03410	0.5
93.07042	3.3
95.04958	0.9
95.08607	1.5
97.02890	0.3
97.06541	0.5
103.05414	0.2
105.07024	1.1
107.08602	1.3
109.02872	1.9
109.06511	0.3
109.10138	0.7
111.04442	0.4
115.05392	0.3
117.07013	0.3
119.08567	1.2
121.02861	7.2
121.03960	1.2
121.10134	2.3
123.08000	0.3
129.07002	1.9
131.04907	0.5
131.08560	2.6
141.06999	0.3
143.04924	0.8
145.10103	0.5
147.08099	0.3
149.02332	100.0
149.09604	1.1
150.02658	2.4
157.06494	0.7
159.11711	0.3
161.05978	3.9
162.06360	0.3
167.03401	1.1
168.81055	0.3
175.07535	12.2
176.07825	0.5
185.05956	0.7
190.04993	0.3
203.07024	13.4
204.07529	0.3
221.08076	5.1
229.34097	0.3
233.09628	0.3
261.09055	0.4
263.06738	0.3
266.20834	0.2
275.12823	0.9
275.20007	0.9
278.09341	0.5
293.08588	0.4
293.13974	6.0
293.21106	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	293.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88651	0.5
54.56715	0.5
55.01855	0.8
55.05494	2.2
56.96549	0.7
57.03424	0.7
57.07076	0.5
58.83360	0.5
60.97660	0.5
63.67382	0.5
64.98999	0.4
67.05502	3.6
69.07054	1.8
69.89142	2.6
79.05499	3.0
80.60586	0.5
81.03400	1.2
81.07063	3.5
83.04956	0.5
83.08609	1.1
85.06499	0.8
91.05461	2.5
93.07012	2.2
95.04935	2.2
95.08620	2.8
97.06510	0.8
97.10168	1.1
98.97578	3.2
105.06998	1.8
107.04945	1.0
107.08557	2.7
109.06456	0.8
109.10139	1.1
116.09699	0.5
116.98598	2.3
117.06998	1.1
119.08568	1.4
119.56160	0.5
121.10098	1.4
123.08129	0.5
123.11626	0.6
124.03959	3.2
125.04247	1.5
125.09624	0.5
127.07620	0.6
131.08540	1.6
133.10092	1.2
134.99625	1.1
135.08032	1.1
135.11633	1.0
137.09575	0.8
138.05449	1.0
139.05779	0.9
145.10078	1.3
147.11656	1.0
149.09576	1.0
151.11131	0.7
157.10133	0.6
159.11694	0.6
164.06984	0.5
171.11656	0.6
173.13280	0.9
175.11105	0.5
177.12654	0.6
221.38928	0.6
275.12567	0.8
275.16031	0.6
275.20175	3.3
293.03210	1.4
293.13705	6.9
293.17117	100.0
294.14182	1.1
294.17480	5.5
294.20999	0.9
311.04224	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2108
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
51.02367	1.4
53.03947	8.4
55.01867	16.1
55.05251	2.1
55.05507	34.5
57.03412	3.2
57.07061	3.6
59.04990	1.3
65.03916	2.4
67.05501	60.6
69.03405	2.1
69.07062	25.3
69.33747	9.9
70.71239	1.8
71.04973	4.4
79.05489	55.7
80.05827	2.5
81.03413	12.7
81.07048	75.9
82.64966	1.5
83.04983	9.6
83.08614	20.7
85.06535	3.8
91.05470	37.2
93.03428	1.2
93.07038	41.3
93.33436	1.2
94.63245	1.2
95.04961	19.7
95.08005	2.5
95.08597	37.2
97.06522	16.9
97.10157	10.7
98.23321	1.8
98.97575	1.8
99.08086	2.2
103.05444	1.9
105.07021	39.5
106.71407	1.3
107.04940	11.6
107.08586	42.7
109.06512	18.4
109.10143	17.4
111.08041	4.4
117.07018	13.1
119.08569	27.9
120.27042	1.4
121.06509	7.9
121.10137	20.0
123.08067	10.1
123.11729	4.7
125.09617	17.3
129.06987	3.9
131.04927	1.4
131.08568	19.1
133.06427	2.7
133.10112	24.6
135.08067	8.3
135.11694	10.9
137.09601	10.2
137.13240	2.3
139.11211	1.3
141.07005	2.8
143.08521	4.3
145.10114	17.2
146.10539	1.4
147.07986	2.3
147.11678	18.2
149.09602	23.4
149.13274	5.3
151.11177	9.7
157.10120	4.4
159.11687	16.8
161.09583	3.6
161.13249	6.5
163.11137	12.5
165.09146	9.9
165.12764	3.7
169.10120	3.5
171.11671	3.4
173.13211	9.0
175.11189	1.9
177.12776	5.2
181.12230	2.1
187.11166	2.7
187.14827	2.0
189.11182	9.0
189.12738	2.9
191.14378	2.3
193.12230	1.5
195.13710	2.0
197.13277	2.8
205.12219	2.1
207.13881	1.8
211.14790	2.3
215.17818	2.6
219.02493	1.3
223.13348	1.9
229.15759	1.4
229.19525	6.6
233.18848	2.0
239.17979	7.7
247.20518	8.3
257.19046	14.8
275.20047	100.0
276.20358	5.3
293.07996	3.3
293.17685	1.7
293.21124	36.6
293.27997	1.7
294.21552	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03938	3.2
55.01875	8.9
55.05257	2.8
55.05510	42.0
57.03421	4.9
57.07072	9.2
59.04993	3.2
65.03942	3.2
67.05502	88.4
68.61790	1.3
69.03424	2.5
69.06709	2.8
69.07063	40.3
69.58364	3.1
69.58775	5.0
71.04989	22.3
71.08626	4.7
74.69469	1.4
79.05489	71.9
79.05950	3.5
81.03413	8.2
81.07053	100.0
82.07394	2.1
83.04987	11.5
83.08607	16.3
83.70570	1.4
85.02878	1.6
85.06538	11.8
89.07978	2.2
91.05476	39.8
93.06441	2.9
93.07037	59.6
95.04971	19.9
95.08602	66.5
95.09216	3.4
97.06520	12.4
97.10160	15.4
97.28941	1.4
99.08074	6.1
99.13400	1.6
102.60834	1.4
105.07024	29.1
107.04958	6.4
107.07922	2.9
107.08585	38.9
107.09257	3.1
109.06518	10.5
109.10153	28.9
111.04441	2.0
111.08067	4.0
113.06002	49.2
113.09614	1.7
115.05404	1.6
117.06999	9.0
119.08579	23.1
121.06502	10.5
121.10135	34.9
123.08044	6.9
123.11718	9.8
125.09620	5.3
129.06949	3.7
131.08557	21.9
133.10124	28.5
135.04425	2.6
135.08051	15.1
135.11684	16.3
137.05887	2.3
137.09621	11.0
139.11160	6.0
143.08565	2.2
145.10127	15.2
147.08008	2.1
147.11682	16.2
149.02313	1.9
149.09610	16.6
149.13252	5.9
151.11176	17.6
153.09096	19.9
157.10144	5.3
159.08029	1.4
159.11697	10.7
161.09613	5.2
161.13274	5.7
163.11185	7.5
163.14787	3.6
165.12759	2.1
167.10670	19.5
169.10085	2.8
171.11670	4.1
173.11755	4.1
173.13239	4.1
175.11095	1.9
177.12727	11.0
179.10825	1.9
181.04933	3.2
181.12192	1.9
181.15865	4.1
183.11597	1.7
187.11308	1.5
187.13246	3.7
187.14790	2.5
189.11235	2.5
189.12788	4.7
191.10648	1.8
191.14265	2.6
193.12325	2.3
203.12677	1.7
205.12222	1.6
205.15909	1.9
207.13795	5.2
215.14499	1.7
215.17760	2.0
222.84732	1.7
229.19485	6.4
233.09669	2.9
235.07506	1.7
239.18001	3.8
245.25783	2.5
247.09628	4.2
247.16754	1.8
247.20605	8.7
249.11255	1.9
257.18924	7.3
261.09015	2.3
265.21594	8.4
275.20056	49.6
276.20380	2.7
278.09421	1.9
293.08011	4.6
293.11551	7.7
293.17587	4.2
293.21057	98.3
293.27679	10.4
294.21371	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	293.2108
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03809	0.8
53.04022	1.4
55.01682	1.4
55.01969	3.0
55.05306	3.3
55.05605	10.0
57.03508	1.3
57.07177	2.1
59.71738	0.7
67.05209	4.5
67.05613	23.6
69.03185	1.2
69.03526	1.9
69.06759	3.3
69.07178	18.7
69.34990	1.6
69.35408	2.9
71.05105	2.1
79.05109	2.6
79.05613	18.2
81.03507	1.3
81.06647	4.0
81.07176	30.0
83.05103	7.4
83.08739	5.4
85.06621	1.6
87.49566	0.6
91.04997	1.7
91.05605	17.8
93.06530	2.2
93.07171	24.0
95.04448	0.9
95.05096	7.5
95.08055	1.8
95.08730	20.4
97.06656	4.1
97.10291	3.0
97.76601	0.6
98.23270	1.4
99.08171	1.1
105.04655	0.8
105.06390	2.2
105.07162	25.7
107.05078	6.6
107.08727	15.7
109.06655	9.5
109.10286	11.1
111.04558	1.2
111.08170	1.7
117.07003	7.3
119.08572	14.2
121.06500	10.4
121.10133	9.6
123.08064	4.5
123.11705	3.3
125.09737	1.5
129.07146	1.9
131.08556	13.6
133.06488	3.2
133.10117	16.6
135.08058	4.7
135.11681	5.9
137.06052	0.9
137.09592	3.1
139.11266	1.0
143.07675	0.7
143.08685	2.5
145.06563	1.8
145.10115	12.6
147.08167	2.9
147.11664	12.0
149.09624	6.6
149.13394	2.6
151.11177	8.0
155.08636	1.9
157.10248	3.0
159.08194	2.4
159.11676	7.7
161.09741	2.8
161.13211	4.6
163.11180	5.2
163.14828	0.8
165.12901	1.7
169.10196	1.1
171.11833	2.1
173.09764	2.8
173.13240	5.9
175.11307	2.3
175.14932	1.3
177.12898	2.2
179.10762	0.9
183.11826	1.8
185.13348	1.1
187.11266	2.0
187.14920	1.2
189.11346	0.8
189.12932	1.0
191.14415	2.2
197.13347	1.2
199.14857	1.1
201.12766	3.5
201.16504	1.3
205.15909	0.9
207.13783	3.2
215.14368	1.3
215.18134	1.9
219.13814	6.5
229.19466	3.6
231.17543	1.1
233.11621	0.9
233.15498	0.9
233.19025	1.1
237.11284	1.1
237.14893	1.2
239.18001	3.5
247.20612	4.6
252.76234	0.6
257.18991	15.2
258.19263	0.7
265.21597	0.6
274.11987	0.6
275.20041	100.0
276.20386	5.2
293.21051	29.5
294.21344	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03937	13.1
55.01877	23.6
55.05508	43.6
55.45390	2.3
57.03417	4.5
57.07073	24.1
59.04974	2.9
65.03949	5.7
67.05503	71.6
69.03400	3.9
69.07064	31.2
69.13666	5.9
69.14072	19.2
71.04977	8.2
71.08617	4.0
73.97450	2.2
79.05492	56.9
81.03416	28.6
81.07055	91.7
83.04971	16.3
83.08614	26.1
85.06533	17.1
89.13863	2.2
91.05477	55.6
93.06435	2.5
93.07042	49.9
95.04962	41.9
95.08603	53.5
97.02903	5.4
97.06513	11.8
97.10146	10.5
97.29194	2.2
99.04416	3.0
99.08054	2.7
103.05486	3.5
105.07027	48.3
107.04951	19.4
107.08582	38.9
109.02860	2.8
109.06506	24.1
109.10149	38.8
110.76549	3.2
111.04449	16.7
111.08074	9.6
113.05980	2.5
113.09622	3.9
114.61625	2.3
117.07005	10.9
119.08583	28.1
121.06498	10.2
121.10148	25.8
123.04419	6.6
123.08051	20.0
123.11703	8.0
123.69089	2.5
125.05965	3.2
125.09599	5.1
127.07527	3.1
129.06963	3.4
131.08559	21.3
133.06509	2.8
133.10135	38.0
135.08037	5.7
135.11653	14.3
137.09621	70.1
143.08537	4.2
145.10136	18.7
147.08127	2.7
147.11705	14.1
149.09625	19.5
149.13269	5.8
151.11156	23.9
153.09074	2.8
153.12695	3.1
157.10136	5.0
159.11681	10.0
161.09581	4.8
161.13243	4.6
163.03987	3.4
163.11183	17.5
165.09120	9.2
165.12747	5.1
169.10178	3.5
171.11652	3.7
173.13269	9.2
175.11206	6.0
177.05464	2.6
177.09100	2.8
177.12776	6.9
181.04924	4.4
181.12248	7.2
187.11099	4.4
191.08725	2.3
191.10733	5.2
191.14238	5.1
193.12288	4.2
197.13385	4.2
203.17899	3.9
205.12111	3.9
205.15839	3.4
205.74696	2.4
207.13864	3.3
209.06221	2.9
209.11710	13.9
219.08055	3.5
223.13240	4.4
229.19548	5.9
233.11705	5.3
237.11176	13.6
247.07549	7.2
247.20528	12.6
257.19006	12.6
265.21500	2.6
275.16931	4.4
275.20068	77.6
293.08099	3.9
293.11600	4.8
293.21069	100.0
294.18454	4.2
294.21564	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	293.2108
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03947	20.8
55.01869	11.5
55.05513	20.6
67.05169	3.2
67.05504	51.4
69.07068	74.5
70.57713	6.9
71.04987	4.3
71.08658	2.8
79.05495	45.8
79.75219	2.6
81.02966	5.0
81.03416	61.5
81.07055	59.9
83.04969	10.4
83.08604	8.1
91.05480	32.4
93.07052	39.3
95.01318	9.1
95.04967	19.6
95.08599	38.7
97.06555	11.9
97.10176	6.6
99.08090	3.2
105.07032	48.4
107.04964	21.4
107.08590	22.6
109.06520	6.8
109.10138	7.6
111.08066	4.2
117.07037	11.3
119.08595	22.8
121.06489	7.8
121.10126	8.2
123.08088	15.5
125.09595	3.9
129.06990	3.2
131.08560	18.8
133.06476	3.6
133.10126	32.8
133.21954	2.3
135.08044	5.5
135.11728	12.0
139.07526	2.6
141.06999	2.9
143.08580	3.5
145.06479	8.9
145.10133	14.3
147.11644	11.1
149.09645	14.6
149.13222	4.7
151.11166	7.8
157.10210	3.1
159.11650	13.5
161.13252	6.2
163.11194	10.9
165.09091	4.3
173.13245	3.8
177.12720	6.5
178.68063	2.3
179.14294	25.3
187.11166	9.5
229.19579	3.0
236.58365	2.2
253.59178	2.2
257.18970	5.8
275.17081	3.2
275.20059	58.0
292.93661	2.4
293.21078	100.0
294.21298	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
53.03946	8.1
53.07328	1.9
53.74876	1.8
55.01873	14.6
55.05512	100.0
57.03435	8.3
57.07077	4.4
57.67134	2.0
60.14532	2.1
65.03947	2.9
65.76211	1.8
67.05504	86.6
69.03427	13.2
69.07069	52.5
69.27791	4.0
69.28195	11.4
71.04991	19.5
79.05492	76.2
81.03420	16.2
81.07057	74.7
82.62079	2.1
83.04967	13.9
83.08618	40.4
85.06564	6.1
91.05478	55.1
93.07043	73.4
93.07612	4.4
95.04971	57.5
95.08601	52.4
97.06522	20.9
97.10163	23.9
105.07033	42.3
107.04945	11.2
107.07854	2.7
107.08593	54.7
108.08941	2.5
109.06534	16.5
109.10157	37.7
111.08075	5.8
113.05979	4.9
117.07050	13.0
119.08583	42.8
121.06506	9.3
121.10148	31.8
122.80801	2.6
123.08041	10.3
123.11723	6.4
125.09621	19.0
129.07027	4.0
131.08572	21.3
133.10120	25.7
135.08075	11.5
135.11726	11.4
137.05952	3.9
137.09608	53.4
139.11201	13.6
141.07002	3.1
143.08595	5.4
145.10129	19.2
147.08061	3.3
147.11659	15.0
149.09607	22.0
149.13272	2.6
151.11197	10.4
153.09087	3.2
157.10130	3.9
159.11679	14.4
161.09601	3.8
161.13234	7.0
163.11177	10.8
165.09123	2.4
167.10709	2.4
169.10120	3.3
171.10262	3.6
171.11708	5.4
173.09554	3.0
173.13295	5.2
177.12706	5.4
179.14372	2.7
183.11728	2.4
187.11134	3.5
189.11226	12.7
189.12679	4.2
193.12282	3.2
194.42244	2.2
197.13309	2.9
203.12674	3.2
205.15681	3.3
207.13805	4.9
209.11641	3.5
211.13213	2.8
223.13258	11.5
223.17026	2.6
229.19559	4.6
233.15326	2.8
239.18045	4.2
247.20627	4.7
257.19052	9.1
275.20047	73.7
276.20480	5.5
293.17603	5.4
293.21021	61.3
294.21347	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	293.2108
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03944	35.0
55.01873	33.7
55.05518	36.6
67.05501	85.3
69.07063	78.6
69.49216	38.9
79.05489	58.6
81.03413	84.3
81.07056	92.4
83.04974	16.5
83.08624	8.7
87.52406	6.7
88.26448	5.7
91.05477	74.0
93.07040	58.4
95.01350	16.3
95.04959	27.2
95.08607	76.2
97.06547	46.5
97.88154	5.8
105.07026	100.0
106.07326	6.2
107.04945	38.7
107.08579	28.1
109.06497	9.4
109.10155	16.2
117.07010	24.2
119.08572	63.9
121.10147	21.2
123.08084	24.3
129.06984	7.4
131.08560	46.0
133.10126	73.9
135.08035	6.4
135.11664	23.5
145.10121	30.1
147.11678	21.7
149.09549	15.1
159.11694	27.0
163.11218	12.8
177.12714	8.1
179.14331	23.8
187.11200	17.9
195.13815	6.0
247.20447	8.1
257.19122	8.2
275.20111	85.9
293.21066	66.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2108
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03947	8.1
54.22740	2.2
55.01872	44.6
55.05512	52.8
57.03435	3.2
57.07072	2.9
67.05501	43.8
69.03426	5.4
69.07060	23.9
69.16071	8.0
69.16491	10.8
71.05000	4.0
79.03677	2.2
79.05029	4.1
79.05491	83.7
81.07049	41.7
83.04993	10.9
83.08615	17.8
85.06534	2.8
87.52822	2.2
91.05473	34.3
93.07035	41.7
94.56406	2.2
95.04975	13.4
95.08611	20.3
97.06525	67.2
97.10168	27.4
98.10537	2.4
103.05467	2.5
105.07015	33.8
107.04951	39.6
107.08587	60.0
109.06533	6.4
109.10149	18.3
111.04413	3.0
111.08068	2.4
117.07004	12.5
119.08586	22.9
121.06494	5.3
121.10141	17.9
123.08097	5.3
123.11713	9.4
125.09624	38.5
129.75885	2.4
131.08560	14.1
133.10126	20.2
135.08061	9.5
135.11681	7.0
137.09628	5.7
139.00487	2.1
139.07565	3.4
145.10139	7.4
147.11653	10.9
149.08437	5.3
149.09621	88.1
150.09958	3.2
151.11148	6.1
153.09126	6.2
157.10109	2.8
159.11710	6.2
161.13345	5.1
163.11183	6.9
165.09157	4.1
167.10693	3.9
169.12265	3.3
171.10182	3.9
171.11702	4.4
173.11844	3.7
173.13261	6.0
175.11169	2.6
177.12720	3.5
179.14366	6.8
181.12387	2.3
187.11182	3.9
187.13364	2.5
189.11238	25.9
191.14195	3.4
196.86586	2.3
197.13293	3.1
205.15808	2.6
209.11757	4.9
215.17949	2.8
229.19542	8.0
233.73744	2.4
239.18034	3.7
247.20576	6.6
257.19064	20.6
275.20056	100.0
276.20493	5.2
293.21048	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	293.2109
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03930	2.9
55.01875	8.3
55.05507	34.0
57.03434	2.4
57.07074	8.7
65.03925	1.5
67.05167	1.4
67.05502	20.8
69.03412	2.6
69.07062	21.4
70.07381	1.0
70.19870	0.9
71.04975	3.5
71.05328	1.1
71.08620	3.3
79.05487	22.8
81.03415	7.2
81.07053	25.7
82.07371	1.1
83.04549	1.1
83.04980	6.6
83.08615	21.5
85.02891	2.3
85.06562	1.4
85.10178	2.7
91.05476	12.5
92.37110	1.0
93.07039	20.2
95.04963	100.0
95.08601	15.6
96.05300	1.3
97.06523	2.8
97.10163	12.9
98.23297	2.3
105.07036	9.7
107.04938	10.1
107.08573	10.7
109.06505	7.7
109.10137	6.9
111.04430	1.7
111.08042	6.1
111.11713	2.9
111.28091	0.9
113.09640	1.2
117.07001	6.2
119.08583	9.2
121.06505	6.8
121.10117	8.1
123.08047	4.4
123.11710	2.3
124.01799	0.9
125.09623	5.5
125.44791	1.2
129.06975	2.1
131.08554	6.4
133.10141	4.0
135.08055	3.5
135.11693	7.4
137.09586	1.9
145.10104	8.2
147.08043	3.9
147.11700	3.1
149.09612	16.7
149.13225	2.1
151.11200	1.4
153.09077	2.2
159.11702	4.2
161.09581	1.6
163.11171	20.7
163.14870	1.4
165.12737	4.3
169.10178	1.6
173.13458	1.1
177.12740	3.0
181.12206	2.2
187.11156	4.1
189.11189	1.9
193.12268	1.1
201.12706	1.0
205.12254	3.8
209.11858	2.5
211.13211	1.4
221.35542	1.1
223.13257	29.1
229.19272	1.3
237.11285	2.8
237.14847	1.9
247.20605	3.1
257.19009	1.9
275.20041	18.5
275.22903	1.2
275.27249	2.2
293.21100	67.2
293.28174	5.1
294.09424	1.0
294.21381	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2472
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
53.03939	1.4
53.56531	0.8
55.01867	1.7
55.05511	9.9
57.07074	3.2
65.03941	3.0
67.05500	91.9
68.05824	1.7
69.07063	11.7
69.93582	1.6
69.93930	3.8
72.44876	0.9
79.05492	19.9
81.07050	100.0
83.04976	2.8
83.08620	5.0
85.06528	1.5
91.05478	8.6
93.07035	15.3
95.04973	2.9
95.08599	76.5
96.08911	2.1
97.06522	2.7
97.10175	3.1
99.08106	1.8
105.07014	5.1
107.04933	0.9
107.08580	10.8
109.06483	2.0
109.10148	31.1
109.10878	1.7
110.10500	1.1
111.04442	1.7
111.08064	2.1
115.07589	1.0
117.07015	2.3
119.08575	5.9
121.10140	10.3
123.08083	2.3
123.11705	18.9
125.09635	1.2
131.08540	7.7
133.10080	4.9
135.08093	1.9
135.11685	8.0
137.09628	1.5
137.13223	8.6
145.10097	4.0
147.11691	3.3
149.09618	2.7
149.13293	4.1
151.11186	1.6
151.14836	2.7
153.09021	1.6
159.11725	3.6
161.13287	3.7
163.11160	2.6
163.14793	2.9
165.12720	1.5
165.16519	1.0
167.10587	1.0
173.13281	4.6
177.12804	2.1
177.16403	2.0
179.14368	1.9
181.04994	1.6
187.14888	2.5
191.14258	2.3
201.76413	0.8
205.15976	1.5
206.77780	0.8
209.11757	2.3
209.15375	1.1
219.21127	0.9
223.16867	1.2
233.22728	1.0
237.09164	0.9
237.11099	4.5
243.21027	5.3
247.20508	0.9
250.06252	1.5
261.22205	5.6
265.08441	1.1
275.20090	2.1
278.05887	1.2
293.08118	4.3
293.21259	4.2
293.24783	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	293.2834
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
53.00304	0.6
53.03731	0.4
53.03940	2.2
55.01875	0.6
55.05508	74.8
56.05843	1.4
57.03431	1.7
57.07072	34.2
58.07395	0.7
65.03929	0.6
67.05499	15.2
67.05859	0.7
69.03433	2.6
69.07063	100.0
70.07397	1.8
71.04991	1.1
71.08626	21.2
72.08982	0.4
73.06550	0.3
79.05490	9.0
81.07052	21.7
82.07417	0.5
83.04976	4.5
83.08614	71.2
84.08950	1.4
85.06522	1.6
85.10175	9.3
91.05484	2.6
93.07038	13.9
95.04972	1.1
95.08602	20.0
96.08941	0.4
97.06530	3.9
97.10162	53.2
98.10502	0.8
98.23389	0.8
99.08075	1.1
105.07008	0.8
107.07986	0.2
107.08585	10.1
109.10152	9.9
111.08068	2.3
111.11712	17.4
113.09616	1.1
119.08595	0.4
121.10133	11.1
121.10967	0.7
123.11700	5.0
125.09621	0.9
125.13277	4.0
127.50626	0.4
135.11688	9.9
136.12013	0.6
137.13242	2.6
139.11195	0.9
139.14851	0.6
141.12712	1.5
149.13251	6.6
151.14848	1.0
159.06108	0.3
163.14803	7.8
165.16382	1.1
167.14331	0.8
169.15736	0.4
177.16325	2.7
179.17961	1.1
181.15849	0.5
191.10638	0.4
191.17920	2.5
193.19492	1.1
195.17444	2.2
205.19443	2.3
207.20998	0.8
209.19003	5.9
219.21051	1.7
223.20561	1.5
233.22621	0.8
237.11111	0.9
237.22092	1.1
246.24055	0.4
275.27328	14.5
276.27710	0.5
293.28357	37.9
294.28650	2.6
307.06256	0.3
307.62354	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.3
55.01872	1.4
55.05513	21.6
56.96563	0.8
57.07077	11.4
59.05014	0.9
65.03941	1.0
67.05506	31.4
69.03425	2.8
69.07070	36.6
69.23715	5.4
70.07411	0.8
71.04995	3.0
71.08635	4.2
79.05499	13.8
80.40440	0.5
81.03420	5.4
81.07056	100.0
82.07387	2.2
83.04963	2.0
83.08619	19.2
85.06548	8.9
85.10175	1.3
91.05482	5.4
93.07046	19.3
93.07607	1.4
95.04975	2.7
95.08607	82.2
96.08961	1.7
97.06542	2.8
97.10170	11.2
98.10520	0.6
98.22600	1.2
98.97579	1.9
99.08110	5.2
103.05545	0.7
105.07026	5.5
106.82808	0.7
107.04943	1.3
107.08595	18.8
109.02891	1.7
109.06536	2.5
109.10156	46.3
110.10467	1.1
111.08087	4.6
111.11716	5.1
113.09674	1.4
116.98626	1.4
117.06996	1.6
119.08562	4.7
121.06499	2.0
121.10149	13.1
123.08079	2.4
123.11707	25.5
125.09631	3.1
125.13271	2.7
131.08592	1.8
133.06453	0.8
133.10141	2.4
135.08096	1.2
135.11700	9.9
137.05934	0.7
137.09616	1.9
137.13252	19.5
138.13579	1.0
139.07512	0.6
139.11169	1.6
145.10161	2.7
147.11711	1.8
149.09636	1.0
149.13258	10.1
151.07600	1.1
151.14822	9.5
153.12776	1.8
159.11731	2.0
161.06001	1.0
161.13243	1.3
163.07581	1.1
163.11221	1.6
163.14864	4.0
165.16415	2.7
167.14398	2.7
169.15887	0.7
171.11615	1.0
173.13246	1.0
177.12688	0.7
177.16418	2.5
179.18010	1.5
191.10635	1.0
191.18025	1.1
195.10231	0.6
205.19545	0.9
206.06982	0.7
219.21164	1.0
237.22154	1.2
252.29308	0.7
257.18951	0.9
265.08566	0.7
275.16443	2.2
275.20096	4.5
275.22879	0.8
275.24127	0.7
275.27197	3.1
293.03287	1.1
293.08023	1.5
293.11093	0.8
293.13876	3.2
293.17426	1.8
293.21262	3.9
293.24991	1.1
293.28339	20.5
293.31589	1.3
294.28592	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2838
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
53.03950	2.6
55.01862	2.8
55.05508	26.9
57.03426	2.0
57.07074	17.9
59.05000	1.2
61.02931	0.6
65.03938	1.6
67.05503	32.2
69.03423	4.7
69.07066	50.6
70.07407	0.8
70.53951	1.1
71.04984	3.9
71.08625	7.4
73.02901	0.6
79.05486	17.4
81.03413	8.5
81.07054	95.7
82.07400	2.3
83.04980	1.6
83.08617	29.4
85.02892	7.4
85.06538	10.2
85.10170	2.2
91.05484	7.3
93.07043	26.7
95.04978	5.1
95.08601	100.0
96.08910	2.9
97.02889	2.9
97.06534	4.6
97.10166	18.0
99.04478	1.2
99.08073	7.7
103.05497	1.0
105.07030	5.9
106.07349	0.6
107.04959	1.1
107.08588	28.7
109.02872	4.3
109.06517	2.3
109.10152	56.4
110.10486	1.7
111.08078	8.5
111.11713	8.1
113.09643	1.4
117.07003	1.9
119.08560	4.1
121.06516	1.2
121.10136	19.1
121.32909	0.5
122.10468	0.6
123.08083	1.3
123.11700	37.9
124.12065	1.0
125.05985	0.8
125.09623	3.0
125.13218	3.3
127.03897	1.7
127.11191	1.0
131.04967	0.7
131.08563	1.7
133.10123	3.0
135.08064	2.3
135.11684	8.3
136.12039	0.7
137.09546	0.7
137.13245	40.9
138.13544	1.3
139.11188	2.2
139.14833	1.0
141.12743	0.8
143.08650	0.7
145.04901	1.0
145.10083	1.9
147.11700	1.7
149.02332	5.1
149.09590	3.0
149.13252	15.3
150.13641	0.7
151.11238	0.6
151.14825	3.8
153.12724	2.1
157.10172	0.6
159.11678	1.0
161.09615	1.3
161.13153	0.6
163.11188	1.0
163.14812	6.5
165.09058	0.6
165.12712	0.7
165.16402	2.5
167.14320	5.9
169.15929	0.6
173.13330	1.0
177.09117	0.8
177.16386	1.6
179.17917	1.9
191.14342	0.8
191.17964	1.8
193.19496	1.1
195.17400	1.0
197.13091	0.8
199.44203	0.5
205.19513	1.0
209.18993	0.8
219.21049	1.5
229.19299	0.7
237.14819	0.8
237.22208	1.3
247.20618	0.8
249.10152	0.6
249.25838	1.6
275.20035	2.3
275.27228	3.5
293.08069	1.6
293.13638	3.4
293.17426	1.5
293.21243	3.5
293.28351	33.3
294.28668	2.6
302.77911	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1487
Annotation	Drazepinone
Peak:m/z	Relative Intensity
53.03939	0.7
55.01875	2.0
55.05515	2.0
57.03404	0.4
57.07073	0.6
60.08721	0.7
67.05497	2.8
68.05832	1.0
69.03422	0.9
69.07063	2.6
69.85305	0.6
69.85716	1.2
70.23961	0.4
72.83808	0.3
76.97787	0.4
79.05484	4.3
80.05816	0.4
81.03416	0.4
81.07056	3.8
82.07349	0.5
83.04971	0.7
83.08587	0.9
88.74992	0.3
91.05474	15.1
92.05796	0.8
93.07040	4.9
93.92538	0.4
94.02914	0.4
94.04166	1.7
94.07365	0.4
95.01342	0.5
95.04980	1.7
95.08587	2.8
96.05311	0.4
96.08929	0.5
97.06522	0.9
97.10150	0.8
103.05447	1.4
104.04966	0.5
105.07019	3.3
107.04956	1.4
107.08585	3.0
107.34319	0.3
109.06503	1.2
109.10151	1.5
115.04694	0.6
115.05446	3.3
117.05745	0.9
117.07005	0.9
118.06535	2.9
119.08575	1.7
121.06512	0.6
121.10141	7.9
122.03645	4.2
122.10461	0.8
123.08058	1.4
123.11703	1.1
125.09623	0.5
128.06224	0.4
129.06967	0.5
130.06519	6.7
132.08080	9.2
132.09065	0.6
133.07510	0.4
133.10201	0.4
135.11694	1.0
137.05969	57.8
138.06273	0.9
139.11200	0.4
141.06984	0.5
143.05000	0.5
144.08112	2.1
145.06447	0.8
146.05992	4.8
146.10413	0.5
147.08008	1.0
149.09607	18.1
150.09955	0.6
154.06491	0.5
158.05937	0.7
158.15414	0.6
167.07251	0.6
168.08081	1.1
170.06081	0.4
170.15425	1.3
171.04358	0.9
172.07574	3.0
180.08017	0.5
183.81976	0.4
188.07030	5.9
196.07555	1.8
200.07054	97.2
201.07370	4.0
208.07596	0.8
210.09065	0.5
210.12048	0.5
212.07008	0.9
214.08626	19.8
215.08922	0.4
224.07126	1.0
225.07565	0.4
226.08623	5.8
234.09280	0.5
238.08600	4.2
238.10986	0.6
239.09460	1.0
240.10246	1.3
252.10194	4.0
253.10652	0.6
264.10150	1.6
266.11481	0.4
276.13803	0.5
276.20404	1.5
277.21576	1.1
278.11743	2.5
279.12509	0.5
292.13315	0.4
294.14853	100.0
295.15213	6.0
295.22693	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2064
Annotation	Nordihydrocapsaicin
Peak:m/z	Relative Intensity
53.03935	0.5
54.28804	0.3
55.05511	2.0
57.07076	1.6
60.66673	0.3
67.05502	4.2
69.03421	0.3
69.07053	1.4
69.39894	1.2
69.40297	0.5
71.04979	0.5
71.08611	1.2
79.05494	2.7
81.03409	0.8
81.07059	3.2
83.04973	0.3
83.08611	1.0
91.05482	2.3
93.07024	1.3
94.04191	2.6
95.04953	1.0
95.08613	1.3
97.06476	0.3
97.10175	1.4
105.07022	0.9
107.04940	0.8
107.08582	1.4
109.06512	1.3
109.10165	1.4
118.40353	0.3
119.08594	0.7
121.06511	0.3
121.10150	0.5
122.03641	8.5
125.09626	1.1
131.08574	0.4
133.10120	0.6
133.76544	0.3
135.04367	0.4
135.08107	0.4
135.11702	0.7
137.05972	100.0
138.06296	2.6
141.12756	2.4
149.13304	0.4
151.11252	0.4
158.15421	2.0
170.15369	0.3
189.11227	0.9
235.11012	0.3
246.89781	0.3
276.20410	0.8
277.21658	2.2
294.08551	0.6
294.12238	0.3
294.21207	0.4
295.13174	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.1
53.03938	0.1
55.01871	0.3
55.05503	0.5
57.07068	1.2
58.02943	0.2
58.07415	0.2
65.03941	0.2
66.04714	0.2
67.05254	0.1
67.05508	1.1
69.03441	0.1
69.07070	0.8
69.19091	0.1
70.64740	0.3
71.08631	0.4
74.06092	0.1
77.42610	0.1
79.05497	1.2
81.07053	2.9
82.07423	0.2
83.04962	0.1
83.08604	0.3
85.06560	0.1
88.07623	0.2
88.62233	0.1
91.05476	1.3
93.07045	0.6
94.04178	2.6
94.04736	0.2
95.04975	0.3
95.08628	0.6
97.06517	0.3
97.10162	0.2
100.07626	0.2
105.07024	0.3
107.04929	0.4
107.08581	0.5
109.06528	1.0
109.10166	0.2
111.04402	0.3
111.08105	0.2
119.06077	0.1
119.08593	0.3
121.10110	0.4
122.03640	6.9
122.10487	0.2
123.04016	0.2
123.08101	0.2
123.11693	1.9
125.09631	0.2
135.11673	0.2
137.05969	100.0
138.06306	2.9
139.11139	0.2
141.12764	0.3
144.09064	0.1
146.06027	0.2
147.11717	0.3
149.09616	0.5
150.09923	0.1
154.11537	0.1
158.15405	1.3
163.11012	0.1
170.15399	1.8
171.04417	0.2
182.05325	0.2
192.11021	0.3
200.07051	2.5
209.11688	0.3
210.12080	0.7
214.08638	0.5
237.11237	0.4
238.11514	1.2
248.33205	0.1
252.09999	0.1
259.20389	0.1
276.20313	0.4
277.21457	0.3
294.14877	3.8
294.17987	0.3
294.20520	0.7
295.15073	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82510	0.5
51.13237	0.4
60.05588	0.8
63.01563	0.5
64.41884	0.5
69.65089	2.0
69.65485	1.1
70.06570	1.0
72.28349	0.5
76.73632	0.5
77.72626	0.5
82.82361	0.6
83.36962	0.5
84.89381	0.5
88.51638	0.4
155.06667	2.2
169.09364	1.2
171.10904	1.9
172.09459	0.6
173.07721	10.3
174.06081	0.8
174.07861	0.6
187.10381	0.7
189.11960	1.9
189.64282	0.5
196.86830	1.1
197.08882	1.2
197.46422	0.5
212.84207	7.9
215.09903	3.7
233.10976	0.9
235.02414	0.7
235.04449	4.6
236.02748	6.8
245.45097	0.5
253.05536	100.0
254.05927	4.2
277.04913	1.7
295.06433	22.8
296.06686	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.6
55.01869	4.3
55.05508	1.1
57.03437	35.2
59.05003	4.0
60.13174	0.6
61.02929	6.2
65.03927	0.6
67.05495	1.6
69.03429	100.0
69.82002	0.6
69.83783	1.7
69.84189	1.1
70.03760	1.6
71.01360	5.8
71.04987	3.2
73.02915	29.8
75.04489	1.8
75.83289	0.5
79.05503	1.2
81.03416	17.2
81.07071	1.3
83.01328	1.2
83.04981	2.3
85.02903	69.2
86.03232	1.0
87.04468	43.1
88.04784	0.6
89.85852	0.6
91.03983	1.0
91.05486	1.7
93.07073	1.0
95.04985	2.1
95.08627	0.6
97.02891	65.7
97.06511	0.6
97.31670	0.6
98.03244	1.6
98.23319	0.6
99.04452	11.5
101.02402	1.3
103.03950	7.7
103.05450	3.4
105.07011	2.7
107.04975	1.4
107.08570	1.0
109.02874	5.7
109.06525	0.7
111.04459	3.0
113.02381	1.4
115.03928	65.1
117.05498	2.3
117.07041	0.8
119.04955	0.8
121.06512	2.4
123.04426	3.4
124.07629	0.9
125.02372	1.2
125.05998	0.7
127.03915	13.5
131.04919	3.8
133.04964	48.7
133.06430	6.5
134.05305	0.6
135.04420	1.3
135.08087	2.5
137.06009	1.9
139.03906	1.9
141.05518	1.3
143.03427	1.4
145.04958	23.1
145.06512	1.3
147.04506	0.9
147.08026	1.1
149.06012	0.8
151.03891	6.6
151.04961	0.6
151.06206	0.5
151.07582	2.3
153.05440	0.7
157.05016	1.7
161.04482	2.3
163.03880	1.0
163.06047	1.7
163.07587	8.5
165.05487	1.1
169.04953	5.9
171.08121	0.9
175.06145	0.9
175.07555	1.3
181.04996	0.8
187.06053	1.5
187.32642	0.6
193.05078	1.4
199.05943	0.7
205.07024	0.9
211.05989	1.1
223.06076	1.7
228.66835	0.6
229.07140	2.4
241.07047	3.9
254.79416	0.5
259.08176	2.0
277.09189	4.9
295.08163	1.2
295.13278	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32085	1.1
51.42528	1.2
53.03935	2.6
55.01880	6.3
55.05505	1.8
57.03439	37.8
59.04718	1.1
59.05005	4.4
61.02930	12.0
62.34054	1.1
66.32887	1.1
67.05505	4.2
67.37764	1.1
69.03430	100.0
70.03751	1.8
71.01347	5.3
71.05006	2.5
73.02918	44.3
75.04463	1.9
79.05489	3.0
81.03422	20.5
81.07044	2.3
83.01344	2.4
83.04980	2.7
85.02905	84.7
85.06559	1.9
86.03204	1.3
87.04471	39.5
91.03941	2.9
91.05479	2.7
93.07023	1.4
95.04961	1.9
95.08619	2.0
97.02892	74.9
97.06438	1.2
99.04463	10.1
101.02377	1.5
103.03939	7.7
103.05422	1.2
105.07056	2.2
107.04930	1.7
107.08593	2.3
108.66097	1.1
109.02879	10.2
111.04452	3.3
115.03929	72.9
116.09102	1.2
117.05464	1.7
120.08093	2.1
123.04427	3.4
123.08112	1.8
124.07600	1.8
127.03912	18.8
133.04968	58.7
134.19777	1.2
135.04398	2.0
135.08051	1.1
139.03896	1.9
143.08565	1.3
145.04962	25.8
145.06160	2.0
149.06027	1.3
151.03917	9.2
151.04961	1.8
152.07115	1.6
153.05478	1.4
157.04990	1.9
161.04478	2.2
163.05989	2.6
169.04953	6.0
177.05582	1.4
181.04994	2.8
181.08670	1.3
187.05978	1.6
187.43060	1.3
193.05016	2.2
205.06860	1.3
211.06024	1.5
218.05577	1.2
223.05986	2.9
229.07076	1.8
233.08145	1.6
241.07025	4.0
259.08151	3.6
274.60349	1.2
277.09253	4.6
281.89066	1.1
295.08994	1.6
295.16122	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1023
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
52.17981	0.8
53.03945	2.2
55.01870	3.4
55.05503	1.0
57.03439	30.4
59.05001	5.7
61.02931	6.8
67.05500	2.2
68.83459	0.8
69.03430	100.0
70.03769	1.1
71.01348	6.3
71.04996	2.1
71.16917	1.6
73.02920	32.2
75.04478	2.2
79.05511	2.4
81.03420	17.1
81.07075	2.1
83.04998	2.1
85.02905	71.4
85.31245	1.0
86.03205	1.0
87.04468	44.8
88.03997	1.4
88.04802	0.9
89.21947	0.8
91.05482	2.1
95.04993	1.7
95.08610	1.0
97.02894	67.8
99.04454	10.3
101.02389	1.6
103.03957	6.1
109.02868	7.2
111.04441	2.6
115.03931	64.9
116.04275	1.4
117.05508	2.7
121.02911	1.2
123.04443	4.0
124.07642	1.1
125.02331	1.3
127.03922	16.3
127.74030	0.8
133.04965	49.5
134.68843	0.8
135.04469	1.2
137.06003	1.0
139.03940	2.0
141.05493	1.0
145.04961	20.5
146.05995	2.1
147.04521	1.0
151.03926	5.2
151.04918	0.9
157.04973	1.5
161.04466	2.0
162.01869	1.0
163.06041	2.4
165.05495	1.3
167.07048	0.9
169.04964	4.3
187.05997	1.1
191.07100	1.0
193.04926	0.9
199.05989	1.5
205.07083	1.1
209.69414	1.0
214.95062	1.0
223.05943	1.5
229.07083	2.0
241.07137	3.1
259.08142	3.3
277.09180	5.3
296.16074	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1022
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.03952	2.6
55.01869	4.3
55.05508	1.1
57.03437	35.2
59.05003	4.0
60.13174	0.6
61.02929	6.2
65.03927	0.6
67.05495	1.6
69.03429	100.0
69.82002	0.6
69.83783	1.7
69.84189	1.1
70.03760	1.6
71.01360	5.8
71.04987	3.2
73.02915	29.8
75.04489	1.8
75.83289	0.5
79.05503	1.2
81.03416	17.2
81.07071	1.3
83.01328	1.2
83.04981	2.3
85.02903	69.2
86.03232	1.0
87.04468	43.1
88.04784	0.6
89.85852	0.6
91.03983	1.0
91.05486	1.7
93.07073	1.0
95.04985	2.1
95.08627	0.6
97.02891	65.7
97.06511	0.6
97.31670	0.6
98.03244	1.6
98.23319	0.6
99.04452	11.5
101.02402	1.3
103.03950	7.7
103.05450	3.4
105.07011	2.7
107.04975	1.4
107.08570	1.0
109.02874	5.7
109.06525	0.7
111.04459	3.0
113.02381	1.4
115.03928	65.1
117.05498	2.3
117.07041	0.8
119.04955	0.8
121.06512	2.4
123.04426	3.4
124.07629	0.9
125.02372	1.2
125.05998	0.7
127.03915	13.5
131.04919	3.8
133.04964	48.7
133.06430	6.5
134.05305	0.6
135.04420	1.3
135.08087	2.5
137.06009	1.9
139.03906	1.9
141.05518	1.3
143.03427	1.4
145.04958	23.1
145.06512	1.3
147.04506	0.9
147.08026	1.1
149.06012	0.8
151.03891	6.6
151.04961	0.6
151.06206	0.5
151.07582	2.3
153.05440	0.7
157.05016	1.7
161.04482	2.3
163.03880	1.0
163.06047	1.7
163.07587	8.5
165.05487	1.1
169.04953	5.9
171.08121	0.9
175.06145	0.9
175.07555	1.3
181.04996	0.8
187.06053	1.5
187.32642	0.6
193.05078	1.4
199.05943	0.7
205.07024	0.9
211.05989	1.1
223.06076	1.7
228.66835	0.6
229.07140	2.4
241.07047	3.9
254.79416	0.5
259.08176	2.0
277.09189	4.9
295.08163	1.2
295.13278	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.115
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20914	0.2
53.03957	0.3
55.01872	1.8
57.03439	2.5
57.04557	0.7
61.02931	1.7
61.71504	0.2
67.01834	0.2
67.05494	0.3
69.03433	4.1
69.07068	0.8
69.39458	1.5
71.01338	0.5
71.04991	0.3
73.02922	2.9
81.03431	1.3
82.04092	0.2
84.37727	0.2
85.02905	12.3
85.99467	0.2
87.04476	0.6
87.08105	0.8
90.72866	0.2
91.03949	0.7
91.05481	0.5
94.04056	3.3
95.04975	0.5
95.08631	0.3
96.05638	0.4
97.02897	3.9
99.04459	0.6
103.03962	0.4
103.05545	0.2
106.04053	0.4
107.04976	0.5
108.04338	0.4
109.02885	1.5
112.05095	0.3
115.03918	1.9
115.05473	0.5
117.07017	0.7
119.03500	0.3
119.04937	0.4
120.08064	0.2
121.02831	0.3
123.04401	0.4
123.06660	2.4
127.03909	2.3
127.05336	0.2
129.07071	0.3
131.04967	0.4
133.05000	3.5
133.06009	0.3
133.06488	0.5
135.04439	0.3
135.05367	0.4
137.06010	0.2
139.03917	0.4
145.04959	3.1
145.06432	1.0
147.04494	0.3
148.06178	0.5
150.07751	100.0
151.03891	0.8
151.08173	1.9
157.06586	0.3
161.06006	0.7
163.03903	1.5
163.06009	0.5
165.05608	0.2
167.07056	0.8
169.04961	0.9
173.05965	0.8
181.04970	4.1
181.08557	1.5
187.03906	0.9
189.01799	0.3
189.05420	0.4
191.07146	0.3
193.04932	0.6
193.08611	0.3
195.02896	0.3
199.07582	0.3
201.05467	0.4
203.06985	0.2
205.05040	1.5
205.08594	0.8
207.02931	0.3
207.06577	0.5
213.05501	0.3
215.03383	0.3
217.04987	0.5
219.06557	0.4
229.04955	1.1
231.06479	0.6
231.10213	0.3
233.04475	0.5
233.08084	0.3
235.05949	1.0
247.06021	5.4
249.07567	0.4
259.06049	0.6
265.07028	0.4
277.07037	0.8
295.08124	1.0
295.11551	1.9
295.16379	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.8
55.01871	3.3
55.05512	0.4
57.03438	6.3
57.04549	1.0
59.05012	0.4
61.02928	4.1
68.47478	0.3
68.99786	0.6
69.03428	11.3
69.07063	2.2
71.01354	1.3
71.04980	0.6
71.32091	0.6
73.02539	0.6
73.02916	8.1
75.04471	0.4
79.05483	0.9
81.03416	4.3
81.07064	0.6
85.02903	33.2
86.03200	0.5
87.04474	2.3
87.08101	2.7
91.03948	1.3
91.05466	1.1
94.04054	3.2
95.04988	0.6
95.27361	0.3
96.05597	0.5
97.02893	11.1
99.04467	1.4
101.02358	0.5
103.03940	1.1
105.07016	0.9
107.04944	1.3
109.02888	3.4
115.03918	4.5
115.05453	1.2
117.07000	1.3
119.04983	0.6
121.02853	0.6
121.05039	0.4
121.06522	0.8
123.04382	0.7
123.06675	2.1
127.03920	6.4
128.06137	0.4
129.07002	0.7
131.04897	0.6
133.04985	7.1
135.04448	0.5
135.05415	0.6
136.07590	0.7
137.05991	0.5
139.03906	0.8
141.06877	0.5
144.05663	0.6
145.04956	6.7
145.06468	1.5
147.04404	0.6
148.06122	0.6
150.07745	100.0
151.03914	1.9
151.08249	1.7
157.06470	0.5
159.04443	0.5
161.05983	1.2
163.03937	1.8
163.06035	0.9
163.07535	0.4
165.05536	0.5
167.07043	1.3
169.04956	1.2
171.08083	0.7
173.05992	1.0
175.07492	0.5
177.05426	0.4
181.04974	4.1
181.08562	3.3
187.03966	1.0
189.05450	0.5
191.07040	0.8
193.04961	0.9
193.08597	0.6
199.07518	0.7
201.05470	0.8
205.05048	1.6
205.08592	1.8
207.02847	0.5
207.06535	1.1
207.10252	0.4
217.04929	0.4
219.06595	0.4
223.09682	0.7
229.05035	1.0
231.06480	0.7
231.10046	0.5
233.08067	1.1
235.05992	1.0
247.06036	5.9
249.07556	0.7
259.05951	0.8
259.09586	0.6
263.13873	0.4
265.07306	0.4
277.07095	1.3
277.15247	0.4
295.08109	0.9
295.11591	1.9
295.16525	1.3
296.18527	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17639	1.1
53.03946	2.3
55.01864	3.0
57.03428	7.7
61.02935	9.2
69.03426	21.2
69.07069	11.1
70.59933	2.7
70.60262	1.6
71.04985	1.8
73.02913	5.0
80.65644	1.2
81.03428	13.1
85.02901	100.0
86.03228	1.4
87.04473	3.9
87.08103	13.8
91.03967	5.1
91.05456	2.6
95.41354	1.3
97.02884	20.2
97.03464	1.7
99.04469	4.1
109.02863	10.7
109.35442	1.2
110.66520	1.2
111.06981	1.4
114.38788	1.3
119.04996	2.0
127.03909	16.7
136.07574	7.0
145.04964	19.7
150.07745	16.8
151.03922	7.8
153.01065	1.3
155.01883	1.2
163.03944	1.5
163.06036	2.1
173.52879	1.2
191.34203	1.3
263.49789	1.3
295.08142	2.6
295.16583	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72275	0.5
53.03938	2.1
55.01871	14.6
55.05511	25.3
57.03436	2.0
57.07067	1.6
59.04993	0.7
65.03941	0.7
67.05504	26.9
67.45857	0.4
68.05827	0.5
69.03420	3.5
69.07067	24.2
69.07448	1.1
69.49878	3.2
70.07396	0.4
71.04991	1.7
71.08621	1.0
77.03925	0.6
79.05491	21.2
79.05956	1.1
81.03411	2.7
81.07056	25.4
83.04975	5.9
83.08118	1.1
83.08617	16.3
85.02903	0.7
85.06553	1.3
91.05478	15.8
93.07040	30.4
95.04961	7.4
95.08602	21.1
95.09222	1.0
97.06522	8.4
97.10163	5.3
99.04452	0.8
99.08082	1.6
103.05463	1.8
105.04504	0.7
105.07027	9.7
107.04950	1.6
107.08590	9.9
109.02876	0.5
109.06512	4.8
109.10155	10.1
111.04450	1.2
111.08076	20.7
111.11690	1.1
115.05453	0.5
117.07001	2.8
119.08566	8.0
121.02975	0.5
121.06508	4.5
121.10139	14.9
123.04415	1.8
123.08067	4.9
123.11700	2.2
125.06007	1.3
125.09641	4.6
127.11145	0.7
128.06212	0.6
129.07018	2.2
129.09097	0.5
131.08560	3.6
133.06497	0.9
133.10133	9.2
135.08057	2.9
135.11700	5.6
137.05962	2.1
137.09608	8.3
139.07536	100.0
139.11150	11.5
139.31151	0.4
140.07878	2.5
142.07848	0.8
143.08560	1.7
145.10135	2.8
147.08041	2.1
147.11674	4.7
149.09590	3.5
149.13269	2.3
151.07555	2.1
151.11168	4.5
153.09100	5.9
153.12715	0.7
157.08604	4.7
157.10121	2.0
157.12207	0.6
159.11687	1.5
161.09604	2.0
161.13277	2.2
163.11183	1.7
165.09114	13.1
165.12778	2.7
167.10670	0.9
167.14343	0.5
171.10374	0.6
171.11607	2.3
173.13292	0.9
175.09659	4.0
175.11212	2.2
175.14799	1.2
179.10664	1.3
179.14314	1.4
181.12259	0.6
185.13252	1.7
187.14743	0.7
189.11194	1.0
189.12700	1.5
193.08641	0.6
193.12215	1.9
193.16003	0.7
195.13931	0.6
199.14726	0.9
203.10713	1.1
203.17992	1.4
213.16373	2.0
217.12253	0.9
221.15424	0.5
221.19011	0.6
231.17433	4.5
231.21127	0.5
241.15817	0.8
241.19553	1.1
245.86086	0.5
248.08487	0.7
249.18440	2.9
249.22025	0.8
259.16983	5.8
259.20435	3.1
263.10400	0.9
267.19519	1.0
277.18036	7.8
277.21625	14.3
278.18704	0.6
295.09521	1.3
295.13266	1.9
295.19025	11.5
295.22681	7.1
296.25613	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	295.2267
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
50.09033	3.6
52.06021	3.9
53.03951	11.6
55.01866	8.9
55.05506	40.7
57.03425	7.0
57.07070	14.2
59.79946	3.6
61.00139	3.9
67.05499	73.4
69.07066	52.6
71.04986	7.5
71.08626	20.5
71.34106	4.1
79.05489	48.8
80.09760	4.1
80.12489	4.0
81.03412	32.4
81.07050	72.2
83.04970	13.5
83.08615	27.9
85.06530	7.2
85.10181	24.7
91.05476	33.5
93.07037	51.7
95.04963	26.5
95.08603	62.7
97.06539	10.5
97.10156	16.8
99.08098	16.7
105.07013	29.6
107.04973	4.5
107.08599	27.5
109.06548	11.4
109.10137	39.5
111.08088	6.8
113.09624	20.7
117.07001	5.7
119.08555	21.5
121.10121	36.0
123.08093	12.6
123.11709	13.1
125.09635	16.6
129.07053	4.3
131.08568	11.4
133.06467	6.1
133.10104	16.5
135.08051	4.5
135.11665	19.4
137.13222	6.3
143.08615	7.7
145.10098	6.0
147.11711	11.2
149.13251	25.2
151.07489	5.5
151.11208	17.0
153.12814	3.8
157.10146	7.5
161.13272	9.2
163.14781	4.2
165.12729	27.4
171.11830	7.0
175.14789	7.8
179.14354	4.6
183.11716	4.4
185.13277	7.0
201.16209	5.9
207.13936	5.7
219.17545	4.9
221.06061	5.1
231.20972	4.7
249.22038	5.2
259.20578	9.3
277.21613	75.7
277.24426	5.9
278.21967	15.6
288.24255	4.1
295.06039	7.4
295.22574	100.0
296.12595	4.7
296.23019	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	295.2267
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03942	10.9
55.01874	8.6
55.05240	3.3
55.05510	55.6
57.03436	2.3
57.07070	5.2
57.51989	1.9
62.80409	1.7
67.05502	100.0
69.03410	3.9
69.07067	31.5
70.81658	4.4
71.05000	4.5
71.08627	15.8
79.05492	43.5
81.03415	16.7
81.07055	53.8
83.04974	9.3
83.08614	29.6
85.06546	7.7
87.41941	1.9
91.05480	21.6
91.28147	1.8
93.07042	39.9
95.04977	14.3
95.08604	24.1
97.06535	6.6
97.10164	40.3
99.08091	13.8
105.07028	15.8
107.04925	3.5
107.08594	41.4
109.06522	6.7
109.10154	34.0
111.08080	3.4
117.07041	4.7
119.08591	12.2
121.06495	3.1
121.10139	15.8
122.03637	5.4
123.04056	2.9
123.08047	2.2
123.11716	4.3
125.09629	40.7
126.09911	1.8
129.07005	3.8
131.08531	4.4
133.06508	4.2
133.10143	14.2
135.08032	6.3
135.11707	16.8
137.05977	63.6
137.09642	3.1
138.06303	47.6
141.12720	3.6
143.08543	4.6
145.06439	2.3
145.10109	7.2
147.11684	8.6
149.13228	10.2
149.15863	1.8
151.07524	1.8
151.11188	23.9
153.09074	2.5
159.11688	3.8
161.13249	12.9
163.07529	1.9
163.11160	6.6
163.14877	3.8
165.12727	4.2
171.10172	2.4
171.11670	3.4
173.13353	3.6
175.14867	6.0
177.12732	3.9
177.16371	2.1
179.14389	4.2
181.12207	1.9
185.13281	5.0
187.65958	1.6
189.11211	28.9
189.12749	3.1
189.16342	2.8
193.15892	2.4
199.14806	2.3
221.15359	3.5
231.21094	3.7
241.19501	5.9
249.22076	5.0
259.20575	11.8
277.18430	3.8
277.21619	73.1
278.21945	6.0
295.13159	4.5
295.22568	2.8
296.25449	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	295.2265
Annotation	9-Hydroxy-(10E,12Z,15Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03950	4.6
55.01870	25.7
55.05507	39.1
57.03431	3.5
57.07067	5.5
65.03934	2.3
67.05502	65.1
67.05859	3.9
69.07066	92.1
69.07442	5.2
69.17834	22.3
71.04978	7.7
71.08617	2.9
77.44386	2.7
79.05491	46.0
81.03426	4.9
81.07053	100.0
83.04976	12.5
83.08609	23.3
85.06551	14.6
85.21291	2.5
91.05471	31.9
93.07040	49.7
95.04967	9.7
95.08609	56.4
97.06524	20.3
97.10169	14.2
99.08090	12.0
105.07018	37.3
107.08587	41.0
109.06517	8.7
109.10180	15.2
111.04391	3.3
111.08080	20.7
113.09645	3.4
115.07581	6.8
117.07035	5.1
119.08559	24.4
121.10131	38.2
123.08061	13.0
123.11727	8.9
125.08791	3.6
125.09634	30.1
128.06145	2.5
129.06998	6.6
129.68834	2.6
131.08562	7.8
133.06508	2.7
133.10139	18.7
135.08031	3.1
135.11697	31.6
137.09515	4.4
137.13148	4.2
139.11157	5.2
143.08528	5.2
145.10115	8.7
147.11699	21.8
149.09708	4.1
149.13274	11.4
151.11195	6.0
157.10115	3.9
159.11720	7.3
161.13278	14.3
163.11195	3.6
163.14818	7.0
165.12741	7.8
169.23581	2.4
171.11694	11.5
172.59209	2.6
175.14832	3.6
179.14308	7.2
185.13304	3.6
189.12721	5.0
207.13899	2.6
241.19417	7.0
259.20428	14.5
277.21628	58.3
278.21912	3.0
295.09406	3.3
295.22559	30.1
296.25613	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	295.2267
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03950	24.0
55.01868	10.9
55.05511	33.6
57.07075	12.7
59.04991	2.6
65.03931	3.2
67.05501	77.8
69.07063	62.3
69.91096	8.4
71.04989	5.7
71.08622	8.7
79.05489	56.5
81.03411	98.0
81.07050	75.0
83.04969	27.6
83.08625	19.2
85.06532	3.2
85.10188	2.2
86.73320	2.1
91.05473	34.8
93.07042	65.1
95.04964	61.4
95.08596	32.8
97.06561	4.7
97.10149	12.8
98.22512	2.7
99.08091	4.6
104.31992	1.8
105.04546	2.0
105.07030	46.6
107.04955	1.8
107.08590	40.0
109.06525	9.9
109.10151	17.3
111.08069	5.7
117.06997	7.6
119.08599	19.1
121.10155	17.7
123.08063	4.8
123.11713	8.0
125.09631	12.4
129.06987	5.0
131.08565	8.3
133.06496	7.4
133.10110	22.6
135.08063	17.1
135.11691	11.6
137.05952	2.2
137.09557	4.2
142.07832	2.1
143.08565	6.5
145.10132	4.4
147.11690	17.6
149.13248	12.8
151.11172	46.9
153.09108	3.7
157.10159	6.7
159.11667	4.1
161.09601	3.2
161.13252	18.5
163.14856	7.8
165.03735	5.2
165.12762	6.5
165.56929	1.8
167.05315	2.2
169.10161	2.0
171.10411	3.1
171.11621	9.9
173.13231	4.7
175.11226	2.2
175.14833	6.3
177.12807	3.7
177.16472	2.1
179.14313	5.6
181.12207	2.1
185.13261	5.3
187.14798	2.3
189.11191	3.0
189.12778	3.5
189.16435	2.4
197.13078	2.0
199.14827	4.9
207.13756	4.7
213.16364	2.8
217.19412	2.6
221.15375	4.0
231.21034	5.6
241.19446	10.5
249.22218	6.2
259.20526	9.2
277.21597	100.0
278.21967	3.8
295.17255	4.0
295.20636	2.2
295.24423	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	295.2267
Annotation	9-Hydroxy-(10E,12Z,15Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03945	5.2
55.01872	14.9
55.05508	25.4
57.03431	4.0
57.07067	3.2
57.98244	1.7
65.03963	2.7
67.05501	60.4
67.05859	3.9
69.03420	8.7
69.07065	80.9
69.46202	3.2
69.46606	11.1
71.04982	7.6
74.99480	2.0
79.05489	42.9
81.03414	12.4
81.07054	100.0
81.90592	1.8
83.04996	9.7
83.08605	14.4
85.02895	2.3
85.06544	11.2
91.05476	27.5
92.71096	1.9
93.07035	46.2
95.04970	7.9
95.08599	57.4
97.06501	16.8
97.10168	8.2
98.23232	2.5
99.08069	11.6
105.07020	28.5
106.07338	2.0
107.04939	2.6
107.08591	26.5
109.06534	6.0
109.10149	12.0
111.08082	7.2
113.05947	2.3
113.09630	2.7
115.07568	4.7
117.07005	5.9
119.08568	23.4
121.10130	33.0
123.08066	11.0
123.11699	10.1
125.05933	2.7
125.09620	24.5
129.07007	6.4
131.04948	2.0
131.08569	8.8
133.10114	11.3
135.08093	2.6
135.11679	31.5
137.09677	2.6
137.13229	4.3
143.08553	5.7
144.27209	2.1
145.06541	2.4
145.10141	7.6
147.11664	24.8
148.12065	2.2
149.09619	3.6
149.13283	11.4
151.03917	10.0
151.04965	2.3
151.11191	5.9
159.11681	5.8
161.13298	13.3
163.11192	5.3
163.14809	6.4
165.12724	9.0
171.11653	11.1
173.13248	3.4
175.14885	2.7
179.14305	5.7
185.13248	2.9
189.12718	5.9
193.15833	2.2
195.13835	3.3
206.07219	2.4
207.08081	3.3
207.13815	4.5
221.15396	4.3
235.07559	5.0
241.19522	4.5
252.07793	3.0
259.20609	10.8
263.07040	5.1
267.10156	4.2
277.21609	42.9
278.21756	2.4
280.07095	4.0
282.03476	2.2
295.09729	16.8
295.15173	6.6
295.19095	2.8
295.22604	24.9
296.10257	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	295.2267
Annotation	9-Hydroxy-(10E,12Z,15Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03942	3.8
55.01871	18.5
55.05253	2.4
55.05509	38.9
57.03436	4.0
57.07073	3.0
61.52836	1.2
64.99142	1.3
65.03938	2.3
67.05502	67.4
69.03423	5.8
69.07064	100.0
69.24548	4.9
69.24974	6.0
70.03500	1.5
70.07394	2.9
71.04993	6.8
78.58772	1.2
79.05486	48.6
80.05837	1.6
81.03420	8.1
81.07052	97.7
82.07376	2.3
83.04976	10.2
83.08624	21.9
85.06536	11.5
91.05471	34.7
93.06443	2.7
93.07037	46.9
95.04968	7.9
95.08599	61.6
97.06529	23.2
97.10166	5.8
98.09682	2.7
99.08093	13.4
100.11244	19.6
105.07024	30.9
107.04951	2.8
107.08584	31.2
109.06511	9.1
109.10151	13.6
111.04453	2.7
111.08060	10.0
113.09607	1.7
115.05442	1.4
115.07538	4.8
117.07008	4.7
119.08559	24.9
121.10144	32.0
123.08059	10.9
123.11700	9.0
125.05975	3.3
125.09622	29.9
129.06993	6.1
131.08556	5.4
133.10121	14.3
135.08057	3.0
135.11685	25.9
137.09598	4.1
137.13257	2.3
139.11150	2.8
141.09074	1.4
143.08578	6.7
144.79431	1.4
145.10110	8.7
147.11670	28.9
149.09633	3.2
149.13258	9.3
151.03952	2.7
151.11188	3.5
157.10101	3.4
159.11696	5.4
159.34685	1.3
161.13246	18.0
163.11165	5.9
163.14810	4.0
165.12706	5.1
168.17477	32.8
168.51353	1.3
169.17732	1.6
171.11681	10.5
173.13129	3.1
175.14798	4.3
177.12735	2.7
178.07736	1.4
179.14330	4.8
181.12292	2.2
181.15901	2.4
185.13272	4.1
189.12764	6.3
195.13756	2.5
199.14900	2.4
207.08032	1.6
207.13757	3.1
221.31558	1.6
222.10654	1.6
234.06717	1.7
241.19444	4.3
252.07814	2.5
254.09225	1.8
259.20508	11.1
263.06946	2.9
267.10150	1.9
277.14099	1.4
277.21588	37.2
280.07123	2.3
295.06223	2.4
295.09680	9.9
295.15067	6.9
295.19144	3.2
295.22958	33.5
296.10468	1.6
296.23593	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2266
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03941	4.5
54.52026	1.2
55.01870	9.7
55.05510	36.6
57.03427	5.0
57.07074	5.1
59.04984	1.7
63.16865	1.5
65.03931	4.0
67.05502	100.0
68.05862	1.6
69.03421	4.0
69.07066	56.6
69.71849	2.7
69.72256	5.0
71.04987	13.5
71.08636	1.6
78.45750	1.4
79.05489	60.3
80.05807	2.2
81.03427	6.1
81.07052	93.0
83.04984	11.2
83.08616	21.7
85.06528	13.3
87.87914	1.3
91.05472	35.3
93.07040	80.7
93.62264	1.3
94.07362	1.5
95.04976	7.8
95.08602	77.8
96.08934	1.8
97.06515	14.6
97.10168	16.6
98.23264	1.8
99.08095	5.7
103.05470	1.7
105.07027	26.5
107.04945	1.4
107.08588	44.7
109.06529	5.4
109.10155	28.9
111.08049	7.1
111.11726	2.2
117.07014	7.2
119.08582	21.3
121.10133	79.6
122.10471	3.4
123.08067	5.5
123.11694	5.3
125.09611	14.8
129.06989	4.4
131.08568	13.0
133.10130	22.9
135.08060	4.6
135.11676	45.2
137.09607	6.2
137.13255	1.9
139.11150	10.4
143.08554	4.6
145.10071	11.5
147.08022	1.8
147.11688	15.2
149.09612	4.7
149.13268	16.1
151.11194	4.5
153.09094	1.8
153.12750	1.9
153.41568	1.3
157.10133	2.2
159.10516	1.3
159.11598	7.9
161.09589	2.5
161.13197	8.0
163.11177	4.9
163.14787	3.0
165.12750	5.0
171.11696	9.9
173.13266	4.3
175.14836	5.0
177.12793	3.5
179.14272	3.5
181.12236	4.3
183.13812	2.0
185.13283	5.2
187.13293	2.7
189.11244	3.1
189.12762	2.4
189.16325	1.9
195.13835	5.0
199.14908	1.6
203.12715	8.3
207.07979	2.1
207.13831	2.2
209.15306	2.4
221.15358	3.2
231.21095	2.8
235.07469	3.1
235.17003	2.9
236.08064	1.4
241.19560	5.2
249.22200	1.7
255.36880	1.3
256.91119	1.5
259.20554	22.1
260.21054	2.0
263.07184	1.6
277.21619	70.5
278.21970	4.3
295.09531	7.5
295.15244	4.1
295.22650	27.0
310.44812	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2268
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
51.02366	2.5
53.03939	6.8
55.01872	39.3
55.05511	54.4
57.03428	5.1
57.07083	11.8
59.05001	2.2
65.03947	3.6
67.05505	100.0
68.05832	2.0
69.03426	7.4
69.07069	42.9
69.87058	4.9
69.87466	3.3
71.04990	7.5
71.08630	29.0
73.06568	2.3
78.83412	1.5
79.05494	58.5
80.05834	1.7
81.03415	19.0
81.07058	81.4
82.07402	2.3
83.04991	16.6
83.08624	26.5
85.06552	6.3
85.10173	6.2
88.91987	1.6
91.05479	44.9
93.07047	62.2
95.04978	21.4
95.08610	60.1
95.09224	3.5
97.06531	25.0
97.10172	18.5
99.08098	27.1
103.05431	2.1
105.07027	36.9
107.04960	6.1
107.08598	36.9
108.08937	1.9
109.06521	12.1
109.10162	28.4
111.04485	2.4
111.08078	39.9
111.11672	1.8
113.05982	1.6
113.09634	7.2
117.07020	7.4
119.08586	27.6
121.06518	4.2
121.10149	30.6
123.08079	17.1
123.11720	9.6
125.09618	12.1
129.07004	6.9
131.08566	8.3
133.06459	6.4
133.10127	23.9
135.04428	5.5
135.08064	10.2
135.11682	23.6
137.05969	2.1
137.09621	17.0
137.13235	1.9
139.11180	7.4
143.08559	6.5
145.10121	7.3
147.07973	2.2
147.11674	23.8
149.02345	22.3
149.09625	6.6
149.13272	12.1
151.07547	4.6
151.11185	30.6
153.09149	2.1
153.12653	4.1
157.10159	4.2
159.11736	4.4
161.13255	14.1
163.03888	3.0
163.11159	11.7
163.14862	3.4
165.03572	2.4
165.12779	18.4
167.14313	2.7
171.11688	4.8
173.13248	3.8
175.11227	4.4
175.14815	6.2
177.12755	2.3
179.14285	11.1
181.05008	2.9
181.12177	2.6
185.13269	6.6
187.14828	2.9
189.11195	5.7
189.12770	4.0
189.16364	2.1
193.12201	3.6
193.15857	2.8
195.13727	2.5
199.14946	2.1
207.13795	4.5
213.99126	1.7
221.15257	3.2
231.21059	6.0
241.19516	6.6
249.22212	10.1
252.07925	2.6
253.08931	1.8
254.09271	1.9
259.20538	14.3
277.21628	81.0
278.22046	5.5
295.09808	14.3
295.15448	4.4
295.19284	2.2
295.22659	43.9
296.22968	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	295.2266
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03945	27.2
55.01862	10.3
55.05508	34.7
57.07076	6.0
58.07195	3.6
67.05499	65.0
69.07066	48.3
76.89864	3.6
79.05482	31.6
81.03411	86.9
81.07050	58.4
82.07355	3.5
82.60973	3.2
83.04974	18.7
83.08595	8.9
85.10181	4.5
89.86703	3.2
91.05469	31.4
93.07030	37.2
95.04964	49.8
95.08595	19.7
97.06539	5.9
97.10162	8.9
99.08069	4.4
105.07022	33.1
107.08589	27.5
109.06481	9.2
109.10141	18.8
111.08054	4.0
117.06994	4.9
119.08585	16.5
121.10126	13.2
123.11707	10.5
125.09615	8.2
131.08594	5.8
133.06503	4.4
133.10121	21.2
135.08029	11.8
135.11708	12.4
143.08505	4.6
147.11696	20.6
149.13264	7.2
151.11165	63.1
153.09100	5.1
157.10286	4.3
161.13249	11.8
163.14790	6.4
165.12724	16.5
171.11647	7.2
175.14786	7.0
179.14302	9.6
185.13181	5.4
189.12904	4.4
207.13824	6.8
231.21049	11.5
241.19537	8.0
249.22183	8.4
259.20551	13.9
269.40677	4.2
277.21613	100.0
278.22156	7.2
286.54688	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	295.2268
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03942	4.2
55.01654	1.2
55.01877	15.5
55.05511	55.0
55.05780	2.8
55.34722	1.1
56.73642	1.0
57.03440	9.7
57.07077	13.2
59.05003	2.0
62.31810	1.1
64.32392	1.5
65.03934	5.3
67.05504	93.3
69.03423	6.0
69.07069	54.5
71.04988	11.2
71.08629	13.4
71.32647	1.5
73.06564	2.1
79.05495	62.7
80.05809	2.7
81.03419	10.0
81.07056	100.0
82.07387	1.9
83.04521	2.1
83.04982	26.1
83.08615	29.0
85.06538	9.8
85.10173	3.7
91.05479	45.6
92.05783	1.1
93.07041	78.8
94.07342	2.4
95.04974	23.9
95.08604	62.0
95.31971	1.2
96.08936	2.0
97.06541	18.4
97.10159	15.9
99.08089	9.3
101.06016	1.6
105.04530	1.8
105.07028	35.0
106.07346	1.2
107.04954	3.6
107.08587	33.8
109.06511	9.4
109.10161	26.3
111.04441	2.0
111.08085	13.5
113.06007	1.4
113.09649	3.8
117.07003	8.1
119.08581	28.0
121.06483	3.5
121.10147	31.4
123.08066	9.0
123.11699	9.8
125.09640	10.3
127.11194	1.5
129.06967	6.5
131.08553	12.1
133.06496	2.9
133.10121	23.4
135.08052	3.8
135.11697	19.5
136.11981	1.2
137.09622	7.5
137.13295	4.1
139.11163	17.8
142.07733	1.8
143.08545	6.3
145.10127	7.6
147.08058	2.3
147.11676	15.2
149.09593	2.6
149.13228	11.6
151.07483	2.1
151.11176	9.5
153.09048	1.6
153.12747	5.2
157.10100	8.0
159.11688	5.9
161.09637	2.0
161.13252	12.6
163.11205	4.7
163.14844	3.3
165.12753	8.9
167.10614	1.7
167.14369	1.7
171.10342	1.2
171.11659	7.0
173.11816	1.7
173.13264	4.8
175.11180	3.7
175.14822	7.3
177.12733	2.7
179.14307	5.3
181.10080	1.2
181.12286	2.3
185.13275	5.0
187.14940	1.4
189.11192	2.9
189.12720	2.2
189.16428	1.4
191.08542	2.4
192.09288	3.2
193.12239	4.8
193.15916	1.6
195.11710	1.4
199.14758	2.3
203.08609	2.0
203.14317	1.4
205.06688	1.5
207.13799	4.3
209.09592	5.2
220.08760	9.6
221.09584	1.8
221.15390	5.7
225.07458	1.4
225.16501	1.2
231.08025	1.2
231.21083	4.7
235.11211	4.4
237.09070	4.2
241.19545	4.8
248.08246	5.6
249.09076	2.7
249.22197	6.8
252.07834	2.1
252.11476	4.8
253.08759	1.4
259.20575	10.4
263.10678	17.1
264.11356	2.0
265.08633	4.7
267.13501	1.1
277.21628	68.6
278.21957	5.6
280.10962	5.5
295.09601	6.2
295.13235	18.7
295.16443	1.9
295.22681	55.2
296.10504	1.5
296.23056	3.2
318.75412	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2267
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03940	6.3
53.48348	1.8
55.01868	19.1
55.05243	2.8
55.05509	48.7
57.03446	4.2
57.07076	7.7
59.05002	2.7
65.03934	3.1
67.05501	100.0
69.03436	5.7
69.07063	91.6
71.04994	15.0
71.08643	2.5
79.05489	77.3
81.03413	7.4
81.07050	99.8
82.07365	2.1
83.04982	17.8
83.08622	25.6
85.06542	7.6
87.04425	2.2
91.05470	34.0
93.07037	89.6
95.04957	9.6
95.08601	82.1
97.06519	31.9
97.10161	16.4
99.08094	3.2
105.07023	42.7
107.08585	61.8
108.08910	2.4
109.06503	9.6
109.10151	36.2
111.08082	13.1
111.11717	6.2
113.06007	2.1
117.06993	7.0
119.08564	26.8
121.06493	4.3
121.10137	54.9
122.10519	1.9
123.08065	66.4
123.11713	7.8
124.08374	2.5
125.09635	11.8
129.06992	6.4
131.08522	11.8
133.06488	6.0
133.10110	19.2
135.08066	12.4
135.11688	52.5
136.12056	2.2
137.09610	18.9
137.13248	3.6
139.07587	3.8
139.11179	22.6
143.08588	6.0
145.10094	8.9
147.08014	4.7
147.11671	11.3
149.09650	7.4
149.13246	13.7
151.07542	16.8
151.11194	5.1
151.14830	2.3
153.09161	1.6
153.12749	25.9
157.10085	4.1
157.12276	2.8
159.11699	6.5
161.09627	4.8
161.13254	9.2
163.11194	4.8
163.14803	4.6
165.09160	2.7
167.10664	2.3
167.14378	2.7
171.11679	6.6
173.11780	2.5
173.13289	6.3
175.11128	2.4
175.14766	14.3
177.12778	2.5
179.10725	5.7
179.14297	2.5
181.12184	3.0
185.13261	3.8
187.13330	2.3
189.11172	2.0
193.12289	2.2
193.15912	2.9
195.13734	3.0
199.14798	3.3
203.12756	3.8
205.15762	1.8
207.13776	2.7
213.16386	1.9
231.21088	7.5
235.17012	2.4
241.19516	14.5
249.22188	12.2
249.36607	1.9
252.07796	3.3
259.20630	21.2
260.20706	1.9
263.07095	2.9
277.18475	2.6
277.21606	81.3
278.21997	3.3
295.06522	2.4
295.09784	11.3
295.15152	32.4
295.18350	2.5
295.19156	2.4
295.22626	39.2
296.15588	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	295.2266
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03946	8.0
53.85415	2.1
55.01865	8.6
55.05513	26.9
57.07071	9.4
59.05014	2.3
67.05503	61.5
69.03422	2.4
69.07067	30.9
69.63504	13.3
71.04993	5.0
71.08628	52.1
72.50082	2.1
79.05492	61.9
80.02628	2.2
81.03400	11.7
81.07053	72.2
83.04975	15.2
83.08625	16.3
91.05481	42.6
92.22184	2.1
93.07045	77.4
94.07393	3.1
95.04964	13.2
95.08607	46.0
95.26291	2.4
97.06517	16.2
97.10180	7.7
99.08086	32.2
103.05471	4.9
105.07033	42.8
106.07300	3.1
107.04958	6.1
107.08594	42.9
109.06556	3.4
109.10131	14.8
111.08113	5.1
113.09686	5.3
117.07021	4.8
119.08579	18.5
121.10132	39.3
123.08058	4.5
123.11691	4.0
127.11200	3.5
131.08543	4.0
133.06488	9.1
133.10124	14.2
134.07286	6.4
135.08043	18.8
135.11700	46.1
135.12738	2.7
137.09581	7.1
143.08647	3.7
145.10098	5.2
147.11745	6.7
149.13280	12.2
151.07535	4.5
151.11179	15.0
153.12657	3.3
161.13188	13.3
161.26941	2.5
163.11137	7.8
163.14799	2.6
165.03683	7.8
167.10660	3.5
173.13278	2.6
179.05301	2.8
179.14299	100.0
180.14647	3.8
183.11728	3.0
189.12737	2.9
221.15440	4.1
231.20963	2.9
233.22589	3.6
235.16914	3.4
250.42114	2.6
259.20544	6.4
277.16296	2.6
277.21619	35.8
279.23221	3.0
295.23441	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	295.2265
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03942	5.9
55.01862	18.9
55.05503	55.2
55.57610	4.6
56.05831	4.8
57.07075	8.1
63.03349	4.3
64.23080	4.9
64.36915	4.0
67.05503	90.0
69.03423	5.2
69.07059	89.5
70.43354	12.2
71.04977	15.7
79.05486	83.5
81.03410	11.8
81.07053	100.0
83.04964	16.0
83.08616	44.3
85.06551	16.2
87.04456	5.7
91.05473	51.4
93.07034	82.2
95.04958	12.8
95.08603	67.1
97.06519	34.3
97.10168	11.6
99.04412	5.8
99.08061	8.5
103.05452	7.2
105.07026	52.6
107.04942	5.8
107.08583	62.6
107.59215	4.3
109.06503	15.0
109.10141	24.1
111.04455	5.5
111.08087	13.8
111.11697	5.2
113.05988	4.5
117.07034	9.8
119.08578	39.1
121.06496	9.8
121.10130	49.9
123.08053	46.0
123.11706	12.7
125.09604	11.0
129.07001	5.0
131.08568	12.7
133.06494	18.9
133.10124	34.5
135.08028	9.4
135.11688	47.1
137.05992	5.9
137.09622	9.7
137.13322	4.4
139.07468	5.1
139.11185	14.0
140.02266	4.7
145.06500	7.8
145.10107	9.4
147.08060	8.1
147.11708	32.0
149.09660	10.6
149.13257	23.8
151.03947	8.7
151.07559	20.1
151.11192	8.1
153.09071	5.0
153.12732	14.9
157.10139	12.0
159.11690	9.9
161.13226	9.5
163.07523	13.2
163.14778	4.6
165.12740	5.8
167.10747	6.6
171.11687	13.1
173.13281	5.6
175.07449	6.1
175.11096	5.1
175.14836	16.1
179.10573	6.4
185.13133	7.7
193.15906	8.4
234.06593	5.5
235.07544	9.2
241.19501	17.4
249.21985	6.5
252.07872	8.5
259.20502	25.2
263.07059	6.7
277.21625	82.5
278.22015	5.1
280.07190	8.5
295.06296	3.9
295.09811	33.1
295.15213	19.2
295.18509	5.7
295.22595	39.1
296.10107	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2267
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03944	5.6
53.74836	1.8
54.65030	2.2
55.01868	16.9
55.05515	34.2
57.03436	6.9
57.07075	6.7
60.63468	1.8
65.03931	1.9
66.59196	1.8
67.05505	81.7
69.03419	5.3
69.07066	88.6
71.04986	14.2
75.88925	1.6
79.05032	4.2
79.05492	83.3
81.03410	13.9
81.07055	100.0
83.04979	14.0
83.08620	20.5
85.02889	2.8
85.06544	8.6
90.52003	1.9
91.05479	55.5
93.07038	92.7
95.04988	9.9
95.08607	96.3
97.06516	26.5
97.10186	7.6
99.08090	2.5
101.02336	2.0
103.05462	5.5
105.07025	65.6
107.04945	2.3
107.08594	48.1
109.06516	12.9
109.10157	26.9
111.08062	12.2
111.11712	5.9
117.06989	11.5
119.08586	58.2
121.06544	3.7
121.10143	54.9
123.08064	94.3
123.11667	10.3
125.05920	2.6
125.09642	3.5
129.07007	7.7
131.08565	14.8
133.06438	10.7
133.10132	20.3
135.08038	15.9
135.11684	37.6
135.12627	3.1
137.09637	23.7
137.13246	11.6
139.07542	9.2
139.11169	28.9
141.09116	4.3
143.08559	6.8
145.10139	8.2
147.08057	9.0
147.11629	11.4
149.09605	10.8
149.13245	11.1
151.03894	14.4
151.04962	2.5
151.07526	27.0
151.11177	2.4
153.09122	4.8
153.12741	15.9
157.10117	5.7
157.12248	4.0
159.11679	8.0
161.09631	6.0
161.13271	9.9
163.07536	4.0
163.11209	5.0
163.14851	7.1
165.09114	4.4
167.07083	4.6
167.10674	2.4
168.17538	3.0
171.11688	10.2
173.13306	5.6
175.11235	4.3
175.14807	19.8
177.12692	2.7
177.16383	2.1
179.10689	7.1
181.12267	2.6
185.13264	5.8
187.14813	2.2
189.12788	3.8
191.14330	2.4
193.12164	4.5
193.15916	5.5
195.13644	2.2
199.14835	3.7
201.11212	3.9
207.13704	2.7
217.19572	5.8
231.13751	2.1
231.21100	6.2
235.07646	4.1
239.20760	2.0
241.19495	12.5
249.22157	2.7
259.20572	21.7
263.07306	2.0
277.18497	4.1
277.21603	62.2
278.22021	3.6
295.09744	16.7
295.15207	15.4
295.18497	2.7
295.19589	3.1
295.22690	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	295.2268
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03928	4.9
55.01867	12.4
55.05252	4.9
55.05506	68.7
57.03418	6.3
57.07073	14.5
67.05145	4.3
67.05499	80.7
68.05834	3.3
69.03426	12.0
69.06700	5.1
69.07063	100.0
70.07387	8.1
70.07761	2.6
71.04978	14.8
71.08612	2.9
76.13792	2.3
76.25766	2.3
79.05486	62.3
81.03387	5.4
81.07050	92.3
83.04972	13.6
83.08606	34.3
85.06515	7.4
91.05466	27.6
93.07037	71.7
94.07384	2.8
95.04968	13.4
95.08603	77.8
97.06521	19.9
97.10156	43.1
98.10433	2.1
105.07008	23.1
107.08588	51.6
108.08929	3.0
109.02789	2.3
109.06504	6.3
109.10145	29.4
111.08089	12.0
111.11750	3.1
115.07545	7.9
116.07880	3.5
117.06992	5.0
119.08582	22.5
121.10129	43.9
123.08058	7.3
123.11694	10.1
125.05912	3.1
125.09622	31.7
126.99444	2.0
129.01016	2.9
129.06993	4.4
131.00728	2.7
131.08549	7.2
133.10103	15.0
135.04391	3.4
135.08046	5.7
135.11679	29.4
137.09605	20.7
137.13268	2.7
139.11168	25.7
143.08549	5.1
143.10751	2.5
145.10089	8.0
147.11641	15.2
149.09612	2.8
149.13268	14.3
151.07616	2.9
151.11156	7.7
153.09100	4.2
157.10124	3.8
159.11668	6.5
161.09622	3.0
161.13242	6.9
163.11150	4.1
163.14742	4.1
164.59035	2.4
165.09088	3.3
165.12740	4.6
169.12259	2.8
171.11639	2.7
173.11784	3.3
173.13225	2.9
175.11098	4.1
175.14793	6.7
181.12244	3.2
185.13301	4.8
187.14787	2.7
189.11246	18.5
189.12679	4.2
189.16365	2.7
193.12248	2.7
195.13773	5.0
197.07150	3.6
198.07558	12.4
199.07025	13.5
201.16187	2.3
221.15309	2.8
231.20999	4.6
241.19649	4.8
249.22154	5.3
254.19250	2.1
259.20648	13.5
264.00739	2.3
277.21600	69.7
278.21869	2.5
295.10028	8.5
295.13254	3.5
295.22644	80.8
296.09811	5.3
296.22858	3.6
296.25735	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	295.2267
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
52.65771	2.6
53.03949	6.8
55.01867	11.3
55.05510	62.3
57.03426	8.0
57.07071	17.2
59.04971	2.7
65.03930	3.2
67.05501	84.7
68.59739	2.1
69.03434	6.0
69.07064	56.5
71.04984	9.8
71.08629	8.8
71.42400	2.2
73.37326	2.1
76.56400	2.3
79.05032	3.9
79.05491	75.4
81.03407	10.4
81.07055	100.0
82.07404	2.6
83.04975	33.2
83.08614	26.5
85.06543	5.6
85.10172	4.3
86.06069	7.1
86.19827	2.5
87.06386	3.0
91.05474	41.8
92.05826	2.3
92.18246	2.1
93.07041	79.0
95.04978	24.6
95.08601	63.8
96.08937	3.5
97.06518	21.9
97.10175	16.9
98.22580	5.6
99.08065	5.3
103.05475	3.2
105.04472	2.4
105.07024	46.7
107.05063	3.1
107.08582	33.6
109.06499	11.3
109.10152	34.4
111.08082	8.6
111.11749	3.2
113.09618	2.6
115.55170	2.2
117.07022	6.6
119.08550	23.4
121.06490	2.8
121.10139	36.2
123.08076	10.6
123.11703	10.2
125.09632	8.6
129.07030	5.3
131.08551	12.6
133.06514	6.9
133.10139	25.1
134.07265	3.8
135.08073	16.9
135.11678	17.0
137.09627	9.8
137.13246	3.3
139.11169	22.6
143.08533	3.1
145.10126	8.4
147.08122	2.9
147.11624	12.9
149.13235	12.6
151.07536	5.0
151.11140	5.4
153.12749	8.5
155.10744	2.2
157.10156	5.9
159.11710	6.3
161.09642	2.6
161.13255	10.8
163.14836	3.0
165.03720	5.8
165.12772	9.9
167.05289	2.4
167.14319	2.7
171.11687	6.4
173.13260	5.0
175.11214	3.1
175.14828	9.1
177.12727	2.7
179.14276	5.1
185.13258	5.8
189.12961	2.8
193.12247	4.2
207.13817	5.0
221.15495	4.7
228.44830	2.3
231.21072	4.9
241.19556	6.1
249.22110	7.0
259.20590	8.7
277.21616	67.7
278.21939	4.3
295.17529	4.2
295.22684	82.4
295.28241	12.5
296.22787	3.8
296.55484	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	295.2268
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.00308	1.3
53.03950	5.6
55.01878	6.1
55.05514	22.7
57.03443	3.7
57.07079	6.7
62.07436	1.1
65.03931	2.4
67.05508	55.3
67.05872	2.9
69.03431	1.2
69.07072	18.1
71.04990	3.6
71.08633	51.8
74.09719	1.3
79.05496	51.0
81.03426	10.3
81.07057	56.7
83.04990	15.6
83.08627	14.1
85.06544	4.8
91.05486	28.8
93.07046	65.8
94.07379	1.5
95.04980	12.1
95.08610	40.9
97.06535	10.8
97.10188	4.5
99.07455	1.9
99.08096	38.5
100.08451	1.1
103.34670	1.2
105.07026	21.4
107.04987	6.6
107.08594	36.3
109.06535	5.2
109.10166	14.4
111.08109	3.3
113.09635	5.6
117.07041	6.1
119.08585	19.1
121.06497	1.7
121.10146	35.8
123.11757	2.7
125.09689	1.9
127.11202	1.6
129.06995	2.7
131.08585	4.5
132.13843	1.3
133.10130	13.2
135.11693	39.4
136.12132	1.3
137.09636	5.4
141.09187	3.2
143.08578	1.7
144.93387	1.1
145.10152	4.6
147.11700	5.1
149.13239	13.4
151.11189	20.5
153.12738	2.7
157.10123	2.7
159.11737	3.3
161.13251	12.5
163.11235	6.8
163.14821	2.9
165.12753	2.1
167.10767	2.1
167.56239	1.4
171.11694	2.7
173.13257	2.2
175.11136	1.5
175.14801	2.1
177.12753	3.4
179.14311	100.0
180.14632	3.7
181.12292	1.3
185.13272	1.3
189.09380	1.2
189.12767	3.5
189.16559	1.1
195.13834	1.6
199.14792	1.4
221.08101	4.5
221.15356	3.5
222.34807	1.3
235.16924	4.2
241.19547	1.8
259.20691	3.4
277.14481	6.9
277.21652	40.8
278.21777	1.6
295.09811	1.7
295.15414	1.9
295.22858	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	295.2268
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03938	9.1
55.01876	25.7
55.05518	45.8
57.03432	6.9
57.07067	22.5
62.20161	4.1
67.05166	6.0
67.05508	89.9
69.07073	50.5
69.28248	31.3
71.04980	12.6
71.08630	72.3
79.05495	68.7
81.03419	14.3
81.07061	86.8
83.04977	33.9
83.08614	34.9
84.29469	5.0
85.06539	9.0
91.05480	60.2
91.28043	4.5
93.06514	8.3
93.07048	80.1
95.04988	27.6
95.08609	73.4
97.06519	18.2
97.10141	10.4
99.08099	59.0
100.23471	5.3
100.26125	4.6
105.07030	68.1
107.04944	11.3
107.08588	38.9
109.06579	5.2
109.07391	4.8
109.10146	32.5
111.08111	27.6
113.09661	6.5
117.07043	13.1
119.08567	34.5
121.06473	11.8
121.10152	40.8
123.08081	7.5
123.11697	10.3
125.09625	6.6
129.06931	10.7
131.08575	19.8
133.06476	18.6
133.10147	31.8
134.07298	6.9
135.08086	26.4
135.11668	31.4
137.09642	14.5
139.11157	6.4
141.09013	5.3
143.08580	15.2
145.10106	9.5
147.11690	30.0
149.09642	8.9
149.13271	16.9
151.07523	6.6
151.11217	34.2
157.10162	6.6
159.11768	7.1
161.13232	28.3
163.11128	18.6
163.14832	11.6
165.03688	17.2
165.12773	9.8
167.05243	5.0
171.11670	14.5
173.13214	7.6
175.14861	8.0
179.14305	26.1
185.13283	12.1
198.43506	5.4
199.14775	11.8
203.14146	6.3
241.19524	14.8
259.20572	11.0
277.14160	5.7
277.21649	100.0
295.09698	10.7
295.13184	13.9
295.24008	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	296.9888
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93837	9.0
55.01876	1.2
55.93538	0.6
69.23403	3.9
69.96176	49.7
70.95860	1.6
71.94086	2.1
84.55735	0.5
87.97215	2.2
98.97591	4.2
101.00889	1.7
113.95134	1.7
116.98635	2.7
119.01917	5.6
131.96150	26.2
134.99704	1.1
137.02942	1.6
149.97198	25.4
158.99884	0.9
167.98280	1.7
174.97667	0.7
177.00935	6.7
178.01060	1.6
189.95169	4.5
190.94897	1.0
192.98741	1.3
194.91228	0.6
198.97662	0.6
203.02534	0.8
205.94620	1.2
207.96272	14.8
208.96107	2.4
212.92159	1.4
213.95134	0.5
216.98680	5.1
217.04149	0.8
219.01979	9.7
220.02090	3.7
221.01834	1.9
223.95868	0.8
225.00876	0.6
230.93370	1.5
231.01996	0.7
231.96227	9.3
232.96129	1.9
233.03653	1.0
234.99770	9.4
238.52307	1.0
243.01968	2.8
247.52826	5.0
248.02893	1.2
248.94373	0.6
249.97305	37.8
250.97246	3.7
252.85832	0.5
253.00955	0.7
254.93263	2.6
255.96150	4.5
256.96317	0.7
258.99963	1.6
261.03064	26.7
262.03149	0.7
264.96271	0.6
270.99945	0.9
272.94363	8.1
272.97656	0.9
273.05118	1.5
273.97290	46.3
274.97260	7.6
275.04550	5.0
277.01031	1.7
282.05569	2.0
282.55829	0.7
286.99579	1.3
290.95508	4.7
291.98349	100.0
292.98413	8.7
297.01736	0.7
314.95581	2.7
314.99829	1.9
315.03003	1.0
316.07196	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	1.0
53.03947	7.9
53.31292	0.3
55.01860	0.6
55.04356	0.3
57.01209	0.3
66.00280	0.3
69.03427	10.7
69.22672	3.0
69.23013	0.5
71.04985	1.8
79.01846	5.2
80.52985	0.4
81.03413	63.0
82.03760	0.9
85.02897	1.1
88.71390	0.3
89.83655	0.4
96.80807	0.3
97.02321	0.5
97.02895	5.6
99.04448	3.0
107.01314	2.8
109.02874	21.2
109.96240	0.3
110.03191	0.5
113.91423	0.3
114.84844	0.3
125.02347	4.1
127.03910	5.1
131.04953	0.4
135.04387	2.0
141.45662	0.3
143.03387	7.6
147.04388	0.3
153.01820	100.0
153.02904	6.0
154.02142	2.9
170.02049	0.6
171.02863	3.8
181.01268	0.5
194.00298	1.2
205.04958	0.5
207.02869	0.3
209.02658	1.3
297.06021	30.9
298.06427	1.2
318.42560	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0606
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02406	0.5
53.03940	1.9
55.01872	1.4
55.05514	2.7
56.66201	0.2
57.03432	1.3
66.95496	0.2
67.05507	4.5
69.03430	6.6
69.07069	1.5
69.75014	0.8
71.04994	2.5
79.01855	4.0
79.02274	0.3
79.05499	4.5
81.03419	17.4
81.07059	8.5
82.03773	0.4
83.01371	0.3
83.05010	1.0
83.08632	0.9
85.02907	7.5
85.03408	0.4
85.06542	1.4
91.05499	1.5
93.07044	2.2
95.04977	0.6
95.08616	2.4
97.02890	5.2
97.03477	0.4
97.06552	0.7
97.10168	1.6
98.23420	0.2
99.04470	1.5
99.08111	0.5
105.07039	0.8
107.01323	1.4
107.04980	0.3
107.08574	2.1
109.02881	2.6
109.06521	4.1
109.10171	1.5
110.13225	0.3
111.08089	0.4
117.07029	0.7
119.08572	0.7
121.06538	0.4
121.10146	1.0
123.00807	0.4
123.08056	0.6
123.11670	0.3
125.02346	3.3
125.05999	0.3
125.09624	1.5
127.03919	5.0
127.07555	21.1
128.06258	0.2
128.07904	0.4
131.04918	0.3
131.08553	0.5
133.10086	0.4
135.04506	0.3
135.08044	0.8
135.11670	0.5
137.09694	0.4
139.07513	0.3
143.03404	7.1
145.10150	0.3
153.01830	100.0
153.09105	4.2
154.02126	2.5
159.04399	0.5
159.11671	0.3
165.01878	0.5
167.08485	0.3
171.02858	0.9
171.10152	0.6
173.13234	0.3
179.03409	0.3
181.06476	0.3
183.02904	0.3
189.11206	0.7
205.04846	0.3
207.02710	0.4
211.07495	0.3
223.07507	0.3
233.04350	0.6
237.09059	0.5
250.06184	0.3
254.09207	0.3
255.14235	0.3
261.18375	0.3
265.08447	0.7
267.06488	0.3
279.19788	0.3
279.23013	0.8
282.08572	0.3
297.05954	21.0
297.10632	3.1
297.18338	0.3
298.06311	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0605
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01610	0.4
51.02398	1.1
51.38131	0.2
51.87716	0.3
53.03949	6.7
53.04193	0.4
55.01868	0.6
57.03450	0.5
58.21712	0.3
63.59610	0.2
65.03953	0.3
67.05512	0.3
68.02312	0.2
68.99811	0.4
69.03430	12.1
71.04993	2.1
71.32209	0.4
79.01851	6.0
79.02283	0.4
79.05493	0.6
81.03417	65.0
81.07059	0.4
82.03761	1.0
83.01361	0.3
85.02911	1.5
87.00868	0.3
89.17219	0.2
91.05479	0.5
93.07046	0.3
95.04943	0.5
95.08599	0.5
97.02886	5.5
97.06544	0.3
99.04443	3.1
105.07016	0.3
107.01326	2.3
107.04958	0.8
107.08579	0.5
109.02880	22.3
110.03210	0.7
119.04927	0.8
121.02862	3.1
123.00777	0.3
125.02347	3.8
127.03910	7.0
131.04955	0.4
133.10104	0.3
135.04440	1.9
137.05908	0.3
139.03853	0.5
143.03409	7.2
147.04405	0.3
149.02287	0.9
149.09613	0.3
151.03851	0.3
153.01828	100.0
153.02934	5.5
154.02159	2.8
159.04362	0.4
165.06946	0.3
170.02029	0.4
171.02878	3.9
175.03900	0.3
177.05467	0.4
179.02209	0.2
179.03381	2.7
183.02820	0.4
187.03699	0.3
191.03329	0.4
193.06462	0.3
194.07152	0.4
197.04347	0.5
205.04898	0.7
207.02751	0.7
211.07458	0.3
227.06798	0.4
233.04353	0.5
237.08875	0.3
239.06750	0.4
254.09282	0.3
256.95053	0.3
265.08408	0.4
265.11975	0.9
267.06628	3.3
274.56464	0.3
282.04971	0.5
297.05789	30.4
297.11133	1.4
298.06119	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.4
51.02389	0.6
53.00305	0.2
53.03942	2.6
55.01880	0.6
55.05509	0.8
56.95924	0.2
57.03436	0.7
57.07080	0.3
60.17002	0.2
62.69114	0.2
67.05502	1.2
69.03426	7.8
69.07072	0.8
71.04994	1.8
71.21198	0.3
71.21541	0.3
72.91999	0.2
75.81721	0.2
79.01850	4.6
79.02293	0.3
79.05493	0.8
81.03415	24.4
81.07050	1.3
82.03753	0.5
82.70768	0.2
83.08618	0.5
85.02914	0.5
85.06549	0.5
88.10908	0.2
89.70902	0.2
91.05477	0.7
93.07034	0.9
95.04970	0.4
95.08593	0.8
97.02888	5.0
97.06528	0.4
97.10161	0.2
99.04436	1.4
105.07047	0.8
107.01313	1.0
107.04984	0.2
107.08578	1.1
109.02880	5.8
109.06528	0.3
109.10164	1.8
111.08071	1.6
119.08566	0.5
121.10165	0.4
123.00739	0.2
123.11730	1.0
125.02338	3.5
125.09571	0.3
125.22733	0.2
127.03911	5.2
131.04979	0.2
133.10132	0.2
135.04384	0.5
137.05959	0.2
137.09615	0.8
143.03391	6.5
147.04405	0.2
147.11684	1.7
151.11218	0.4
153.01822	100.0
153.02878	4.9
154.02159	2.3
159.04390	0.4
165.12749	1.3
171.02937	1.1
171.38330	0.2
175.11148	0.4
177.05414	0.3
179.03416	0.4
181.01308	0.5
187.03951	0.2
191.03467	0.2
193.04861	0.2
193.12254	1.4
205.04857	0.6
207.02924	0.4
211.11209	0.3
223.02382	0.4
229.14406	1.0
233.04335	0.3
249.03804	0.3
265.08713	0.5
265.11963	0.3
267.06570	0.4
279.04883	0.2
297.05997	24.5
297.11243	1.5
297.20615	0.7
298.06378	1.2
316.05276	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0606
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02406	0.5
53.03940	1.9
55.01872	1.4
55.05514	2.7
56.66201	0.2
57.03432	1.3
66.95496	0.2
67.05507	4.5
69.03430	6.6
69.07069	1.5
69.75014	0.8
71.04994	2.5
79.01855	4.0
79.02274	0.3
79.05499	4.5
81.03419	17.4
81.07059	8.5
82.03773	0.4
83.01371	0.3
83.05010	1.0
83.08632	0.9
85.02907	7.5
85.03408	0.4
85.06542	1.4
91.05499	1.5
93.07044	2.2
95.04977	0.6
95.08616	2.4
97.02890	5.2
97.03477	0.4
97.06552	0.7
97.10168	1.6
98.23420	0.2
99.04470	1.5
99.08111	0.5
105.07039	0.8
107.01323	1.4
107.04980	0.3
107.08574	2.1
109.02881	2.6
109.06521	4.1
109.10171	1.5
110.13225	0.3
111.08089	0.4
117.07029	0.7
119.08572	0.7
121.06538	0.4
121.10146	1.0
123.00807	0.4
123.08056	0.6
123.11670	0.3
125.02346	3.3
125.05999	0.3
125.09624	1.5
127.03919	5.0
127.07555	21.1
128.06258	0.2
128.07904	0.4
131.04918	0.3
131.08553	0.5
133.10086	0.4
135.04506	0.3
135.08044	0.8
135.11670	0.5
137.09694	0.4
139.07513	0.3
143.03404	7.1
145.10150	0.3
153.01830	100.0
153.09105	4.2
154.02126	2.5
159.04399	0.5
159.11671	0.3
165.01878	0.5
167.08485	0.3
171.02858	0.9
171.10152	0.6
173.13234	0.3
179.03409	0.3
181.06476	0.3
183.02904	0.3
189.11206	0.7
205.04846	0.3
207.02710	0.4
211.07495	0.3
223.07507	0.3
233.04350	0.6
237.09059	0.5
250.06184	0.3
254.09207	0.3
255.14235	0.3
261.18375	0.3
265.08447	0.7
267.06488	0.3
279.19788	0.3
279.23013	0.8
282.08572	0.3
297.05954	21.0
297.10632	3.1
297.18338	0.3
298.06311	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0755
Annotation	Maximaisoflavone H
Peak:m/z	Relative Intensity
53.03940	0.6
55.01873	0.7
55.05503	1.3
57.03417	0.4
58.45868	0.3
65.03928	0.4
66.45100	0.4
67.05493	2.5
68.99782	2.0
69.03421	0.9
69.07057	1.4
70.91733	0.3
71.04985	0.5
71.32546	0.4
79.05489	2.3
81.03413	2.3
81.07053	3.6
83.04958	0.4
83.08625	0.8
85.02895	0.4
91.05470	2.9
93.07034	1.9
95.04945	0.4
95.08607	2.8
97.02840	0.5
97.06533	0.5
97.10168	0.6
98.97591	0.4
99.04460	0.4
105.07021	0.6
107.04954	12.4
107.08582	0.7
109.02886	0.8
109.10156	1.3
111.39762	0.3
118.03090	0.3
119.04946	2.6
119.08511	0.4
120.05693	0.3
121.02860	3.1
121.06538	0.3
121.10138	0.7
121.48002	0.3
123.04417	0.6
123.08005	0.4
123.11658	0.5
125.09656	0.4
129.03413	0.5
129.07053	0.3
131.04947	1.3
131.08572	0.6
134.03653	0.5
135.04413	10.0
135.11717	0.7
137.02313	0.5
137.13293	0.4
141.07072	0.3
143.08542	0.3
145.06493	0.9
145.22993	0.3
147.04391	8.2
147.11707	0.3
149.05867	0.3
149.13275	0.3
152.06198	0.9
153.01819	3.7
153.05612	0.5
153.07040	1.1
155.08508	0.5
156.77724	0.4
157.02814	0.4
157.06505	1.1
159.08064	0.5
162.03130	0.7
162.39989	0.3
163.03951	0.6
165.01839	0.8
165.06973	1.8
166.07718	0.4
167.03386	0.4
167.08627	0.4
169.06490	0.6
171.07980	0.7
175.03879	2.9
176.04630	1.3
177.07016	0.5
181.06450	2.4
183.08066	1.4
185.06023	0.6
185.09529	0.3
187.07553	1.1
190.02614	3.0
191.03429	0.6
191.14136	0.3
193.04941	0.9
194.02092	3.5
194.07280	0.8
195.08061	1.8
197.05801	0.4
198.06844	0.7
199.07544	3.1
203.03372	3.1
204.25769	0.3
205.06450	1.8
206.07025	0.4
209.05983	1.1
209.09352	0.3
211.07579	2.2
213.05458	1.1
213.09128	1.1
222.06767	1.1
223.07541	3.2
226.06122	0.7
227.07040	1.7
229.08568	3.5
233.06006	0.7
236.08026	0.4
237.05467	0.9
237.09038	1.5
239.07025	0.5
239.63971	0.4
241.08592	1.0
250.06200	0.5
251.07074	2.3
252.07628	0.4
253.08549	0.8
254.05968	0.4
254.09413	0.4
254.72818	0.3
255.06500	2.5
261.22165	0.8
265.08533	1.9
267.06454	0.4
269.08035	3.1
269.10901	0.4
274.97537	0.5
279.06552	1.2
279.23138	2.6
292.98428	0.5
297.07581	100.0
298.07932	5.6
298.11301	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.6
55.01873	0.7
55.05503	1.3
57.03417	0.4
58.45868	0.3
65.03928	0.4
66.45100	0.4
67.05493	2.5
68.99782	2.0
69.03421	0.9
69.07057	1.4
70.91733	0.3
71.04985	0.5
71.32546	0.4
79.05489	2.3
81.03413	2.3
81.07053	3.6
83.04958	0.4
83.08625	0.8
85.02895	0.4
91.05470	2.9
93.07034	1.9
95.04945	0.4
95.08607	2.8
97.02840	0.5
97.06533	0.5
97.10168	0.6
98.97591	0.4
99.04460	0.4
105.07021	0.6
107.04954	12.4
107.08582	0.7
109.02886	0.8
109.10156	1.3
111.39762	0.3
118.03090	0.3
119.04946	2.6
119.08511	0.4
120.05693	0.3
121.02860	3.1
121.06538	0.3
121.10138	0.7
121.48002	0.3
123.04417	0.6
123.08005	0.4
123.11658	0.5
125.09656	0.4
129.03413	0.5
129.07053	0.3
131.04947	1.3
131.08572	0.6
134.03653	0.5
135.04413	10.0
135.11717	0.7
137.02313	0.5
137.13293	0.4
141.07072	0.3
143.08542	0.3
145.06493	0.9
145.22993	0.3
147.04391	8.2
147.11707	0.3
149.05867	0.3
149.13275	0.3
152.06198	0.9
153.01819	3.7
153.05612	0.5
153.07040	1.1
155.08508	0.5
156.77724	0.4
157.02814	0.4
157.06505	1.1
159.08064	0.5
162.03130	0.7
162.39989	0.3
163.03951	0.6
165.01839	0.8
165.06973	1.8
166.07718	0.4
167.03386	0.4
167.08627	0.4
169.06490	0.6
171.07980	0.7
175.03879	2.9
176.04630	1.3
177.07016	0.5
181.06450	2.4
183.08066	1.4
185.06023	0.6
185.09529	0.3
187.07553	1.1
190.02614	3.0
191.03429	0.6
191.14136	0.3
193.04941	0.9
194.02092	3.5
194.07280	0.8
195.08061	1.8
197.05801	0.4
198.06844	0.7
199.07544	3.1
203.03372	3.1
204.25769	0.3
205.06450	1.8
206.07025	0.4
209.05983	1.1
209.09352	0.3
211.07579	2.2
213.05458	1.1
213.09128	1.1
222.06767	1.1
223.07541	3.2
226.06122	0.7
227.07040	1.7
229.08568	3.5
233.06006	0.7
236.08026	0.4
237.05467	0.9
237.09038	1.5
239.07025	0.5
239.63971	0.4
241.08592	1.0
250.06200	0.5
251.07074	2.3
252.07628	0.4
253.08549	0.8
254.05968	0.4
254.09413	0.4
254.72818	0.3
255.06500	2.5
261.22165	0.8
265.08533	1.9
267.06454	0.4
269.08035	3.1
269.10901	0.4
274.97537	0.5
279.06552	1.2
279.23138	2.6
292.98428	0.5
297.07581	100.0
298.07932	5.6
298.11301	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	0.4
53.03944	4.1
55.01859	0.6
57.03428	0.9
57.71810	0.3
61.10352	0.3
67.05509	0.3
69.03423	5.2
69.70107	1.7
71.04980	0.8
77.03933	0.6
79.01839	1.3
79.05489	2.0
81.02946	0.6
81.03409	9.3
83.97569	0.3
85.02906	1.7
91.05451	0.5
92.02621	1.1
95.04952	2.7
95.08631	0.4
97.02889	2.5
99.04441	1.5
101.02370	0.4
105.04507	1.0
105.07019	0.3
107.01337	0.6
107.04961	0.7
107.08561	0.4
109.02869	3.9
120.02106	0.3
125.02338	0.7
127.03898	2.5
132.05222	0.3
135.04401	100.0
136.04768	2.3
138.77237	0.3
143.03322	1.4
153.01816	20.2
153.02875	1.1
153.05438	8.4
154.02132	0.3
156.15004	0.4
171.02917	0.7
199.84654	0.3
205.06584	0.4
209.09453	0.3
237.09100	0.6
265.08542	1.1
279.08575	1.2
282.08722	0.3
297.05682	2.4
297.10934	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.4
51.91198	0.3
52.72657	0.3
53.03941	5.5
55.01850	1.0
55.05499	0.6
57.03408	0.9
65.03940	2.7
67.05479	0.5
68.97768	0.4
68.99765	0.7
69.03426	9.9
69.07034	0.7
71.04964	1.1
71.06042	0.6
71.06393	0.6
73.02851	0.4
77.03889	0.9
79.01836	1.9
79.05492	2.9
81.03414	30.8
81.07036	0.8
82.03756	0.5
83.04963	0.4
85.02900	2.1
85.06537	0.4
86.97939	0.4
91.05486	0.9
92.02593	0.5
93.03390	0.9
93.07019	0.7
95.04954	3.9
95.08597	0.8
97.00943	0.4
97.02892	3.2
97.10158	0.4
99.04442	2.0
101.46981	0.5
105.03400	0.8
105.04461	1.0
105.07015	0.5
107.01258	0.8
107.04945	1.2
107.08578	0.9
109.02869	10.0
109.06493	0.7
111.04436	0.6
111.08036	0.7
119.04952	3.6
120.02065	0.5
121.02861	19.1
123.04404	1.0
125.02321	1.3
127.03903	3.2
131.04970	0.6
133.10152	0.4
135.04404	100.0
136.01515	0.4
136.04738	2.3
137.05942	0.4
139.03885	1.1
143.03412	2.4
147.04459	0.5
149.02339	7.3
151.03957	0.9
153.01817	31.3
153.02856	1.6
153.05438	6.8
153.06711	0.8
154.02090	0.6
165.06987	0.7
167.03429	1.6
169.04985	0.9
169.06461	0.4
171.02940	1.3
177.05421	0.4
179.03389	12.5
183.08098	0.6
193.06586	1.2
197.04451	4.0
197.06017	0.6
211.07590	1.5
222.06773	0.8
226.06252	0.8
237.09196	0.9
239.07156	1.1
254.05861	2.6
254.09128	0.4
255.06541	0.5
265.08670	1.4
267.06506	27.9
268.06903	1.2
269.08136	0.8
279.08618	1.9
281.04602	1.2
282.05356	2.4
282.08511	0.6
285.07349	0.4
297.07681	68.4
298.08008	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	297.1119
Annotation	Calophyllin B
Peak:m/z	Relative Intensity
51.22998	0.4
55.01859	0.8
55.05511	2.0
57.07078	0.4
65.03948	0.5
67.05195	0.5
67.05502	4.2
69.07062	2.2
70.49568	0.3
71.04986	0.6
71.32552	0.8
74.19729	0.3
75.26294	0.4
79.05496	1.9
81.03383	0.5
81.07056	5.5
83.08604	1.7
83.96918	0.3
91.05469	1.5
93.07040	1.9
93.18191	0.3
95.04927	0.7
95.08604	6.4
97.06510	1.3
97.10133	0.7
98.71603	0.4
98.97553	0.4
99.08079	0.3
105.07026	0.8
107.08575	1.5
109.10127	2.2
111.04395	0.5
111.08076	0.8
115.05392	0.5
117.06934	0.5
119.08555	1.0
121.10112	0.8
123.08095	2.2
123.11678	0.8
125.09566	0.6
131.04907	0.5
131.08560	0.7
133.10150	0.6
135.04410	0.7
135.11635	0.6
137.05954	2.0
137.09645	0.6
137.13237	0.4
139.11081	0.4
145.06480	1.6
145.10130	0.5
147.04457	0.4
147.11684	0.6
151.03903	2.0
153.01799	0.7
153.07008	0.5
153.09149	0.4
156.10161	0.5
157.06537	1.0
165.07027	0.7
166.07829	0.6
167.08502	0.5
168.05673	1.1
170.11806	0.5
173.05904	0.4
173.11826	0.4
173.13326	0.4
181.06474	0.5
185.05972	1.2
190.07693	1.0
191.08522	1.5
193.06396	0.4
194.07268	1.2
196.05153	1.1
197.05939	1.1
203.06978	0.9
205.06471	0.8
208.08775	0.7
209.06120	0.4
209.09564	1.0
211.07545	0.5
213.05455	35.8
214.05681	1.1
219.08000	1.5
221.06076	0.5
222.06686	0.8
223.07343	0.5
228.07768	1.5
236.08350	0.4
237.09084	3.0
239.07144	0.8
241.04950	29.7
242.05307	1.3
243.05534	0.4
247.07568	0.7
251.10573	0.6
256.07291	100.0
257.07623	4.3
261.22079	1.0
265.08615	5.9
269.08585	0.5
269.11716	11.1
270.12115	0.5
279.10184	0.6
279.23154	1.7
282.08786	0.7
287.09045	0.5
297.11194	39.2
297.16333	7.6
298.11603	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	297.112
Annotation	4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin
Peak:m/z	Relative Intensity
51.02386	1.4
52.67389	0.6
53.03941	5.5
54.54431	0.6
55.01860	1.5
65.03929	1.2
67.05499	1.1
69.03423	8.1
71.04990	1.6
79.01841	4.9
79.05481	2.2
81.03413	38.2
81.07040	2.7
85.02927	1.0
91.05471	13.7
93.07022	0.8
94.04179	4.6
95.04948	2.2
95.08577	0.8
97.02912	4.6
99.04441	2.6
103.05448	1.3
105.03405	4.9
105.06989	1.3
107.01301	1.6
107.04955	2.1
107.08623	0.9
109.02869	15.5
109.06511	5.0
113.30430	0.7
115.05442	3.7
117.06982	5.5
119.04935	13.1
121.06512	1.7
122.03641	11.7
123.04428	5.3
125.02325	3.6
127.03939	3.5
127.05481	0.9
128.06195	0.9
129.07016	1.3
131.04880	1.7
131.08571	0.8
133.06505	0.8
135.04420	5.7
137.05969	100.0
138.06316	1.9
143.03391	5.8
143.04884	0.7
144.05641	0.9
145.06474	16.8
145.07568	1.3
146.06842	0.9
147.04398	40.3
148.04744	0.8
149.05980	5.2
150.06740	1.3
151.03870	0.7
151.07574	1.2
153.01819	72.6
153.02892	4.1
154.02171	1.3
155.04913	4.8
155.06013	1.0
159.04326	0.8
161.05963	2.3
165.06984	2.6
166.07751	1.3
167.08604	0.9
171.02882	1.8
172.05164	0.7
173.05974	33.8
174.06392	1.3
175.07532	1.0
177.05486	1.0
177.07057	0.7
179.08574	1.4
180.09265	0.9
181.06512	1.4
187.03987	0.7
187.07523	1.4
189.06992	4.7
190.07773	11.8
191.06808	1.5
191.08539	25.6
192.08920	1.0
194.07373	1.3
201.07018	0.8
202.07695	1.6
205.06493	2.8
207.08060	2.0
208.08856	3.0
209.09572	1.5
211.07495	1.0
218.07260	6.5
219.08041	34.8
220.08578	3.1
221.06059	1.1
222.06769	1.2
223.07693	1.2
229.07631	1.0
235.07541	2.5
236.08279	6.1
237.09094	16.2
238.09518	1.6
239.07060	1.2
241.04803	0.8
246.06807	1.2
247.07545	15.0
248.08324	1.5
250.06149	1.5
251.06937	1.4
251.07672	1.2
251.10670	24.7
252.10956	1.3
253.08504	0.7
254.09322	1.9
261.09009	0.8
263.07101	0.9
264.07864	2.9
265.08588	20.5
266.09204	3.9
267.06512	2.7
269.08118	2.3
269.11435	3.1
279.10129	15.0
279.13181	0.8
281.07993	0.7
282.08917	5.2
295.09769	1.5
297.06024	18.4
297.11215	43.0
298.06412	0.8
298.11569	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.7
55.01870	4.9
55.05509	46.2
56.05830	1.3
57.03439	3.6
57.07070	4.4
59.04993	4.6
62.39422	1.2
65.03938	2.8
66.17767	1.2
67.05501	99.6
68.01083	1.3
68.05834	2.6
69.03432	3.5
69.07064	35.0
70.02026	2.8
70.02387	3.0
70.07391	2.0
71.05001	6.3
71.08629	4.5
71.21510	1.1
73.06566	1.4
79.05489	29.9
81.07050	58.9
82.07370	2.1
83.04980	6.0
83.08616	31.3
85.06549	5.1
91.05464	14.2
93.07043	31.5
94.07368	2.2
95.04980	3.6
95.08601	100.0
96.08938	2.1
97.06525	12.3
97.10166	26.5
98.97579	1.5
99.08115	4.4
105.07027	8.0
107.08594	18.1
109.06461	1.6
109.09402	3.1
109.10149	54.5
111.04432	2.7
111.08089	10.4
111.11685	2.1
115.07587	1.7
116.98643	2.5
117.07038	4.3
119.08577	12.6
121.10136	15.7
123.08057	6.4
123.11709	9.6
125.09620	26.4
127.11199	2.1
129.07048	1.9
131.08563	5.4
132.08916	1.6
133.06499	2.5
133.10127	6.0
135.08064	7.1
135.11703	8.2
137.05997	1.8
137.09616	9.5
137.13284	2.9
139.07547	4.4
139.11172	12.5
141.09099	13.1
143.08475	1.6
143.10663	2.0
144.01079	1.7
145.10144	5.9
147.11708	5.2
149.09612	2.3
149.13289	2.9
151.11201	3.2
153.09119	4.8
155.10654	8.2
157.08618	3.6
157.10120	1.8
159.10170	9.2
159.11690	4.2
161.06052	1.6
161.13194	3.2
163.11182	3.5
163.14842	1.9
167.03424	1.8
167.10667	2.5
173.11761	14.5
173.13258	3.0
175.09715	6.9
177.12845	2.2
183.11650	2.4
189.11189	16.7
199.07063	1.6
200.07362	2.7
215.17932	4.4
225.16428	1.7
233.18985	3.9
243.17447	3.1
251.20085	5.5
261.18497	11.6
261.22113	5.1
274.97369	2.1
279.19614	10.1
279.23184	15.8
297.11017	3.7
297.18106	1.7
297.21790	3.1
297.25626	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	297.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12337	0.8
53.03930	1.8
55.01872	5.3
55.05508	39.5
57.03442	4.2
57.07062	2.3
59.04988	3.0
65.03934	3.0
67.02859	0.8
67.05501	90.5
68.05830	2.3
69.03412	3.0
69.06700	1.5
69.07064	31.1
71.04984	5.8
71.08607	1.3
79.05488	24.9
81.03434	1.2
81.07050	49.3
81.61848	0.8
83.01337	1.1
83.04976	4.9
83.08614	28.9
85.06532	3.5
91.05475	12.0
93.07039	27.9
95.04963	2.9
95.08600	100.0
96.08934	1.9
97.06528	9.5
97.10166	21.8
97.10796	1.3
103.05413	0.8
105.07018	6.5
105.86539	0.9
107.04907	1.1
107.08582	15.0
109.06452	2.3
109.10150	52.5
110.10461	1.3
111.04471	1.8
111.08067	9.9
111.11703	2.0
113.09649	1.2
113.25772	0.8
117.06998	2.8
118.53551	0.8
119.08564	9.7
121.06480	2.5
121.10146	12.9
123.08051	7.0
123.11697	5.7
125.09619	19.3
127.11159	1.6
131.08543	4.3
133.10138	5.5
135.08041	4.6
135.11662	4.3
137.09624	8.8
137.13272	1.6
139.07533	3.0
139.11176	11.7
141.09084	12.5
143.08524	1.0
143.10652	2.2
145.10126	4.4
147.11662	2.4
149.09570	2.1
149.13217	1.9
151.11154	2.5
153.09073	3.6
155.10655	8.1
157.08577	3.5
157.09955	1.8
157.12219	1.4
158.27492	0.8
159.10141	11.4
159.11652	3.4
161.13211	1.6
163.11151	2.0
167.03334	1.1
167.07059	0.9
167.10681	1.6
171.10173	1.0
173.11745	11.8
173.13200	2.2
175.09662	8.5
175.14774	1.4
177.12679	1.3
181.12160	1.0
187.14833	0.9
189.11218	14.6
195.13680	1.0
200.10330	0.8
215.16191	0.8
215.17863	4.8
225.16389	2.5
233.18942	4.0
243.17401	1.8
251.20082	4.8
261.18451	11.6
261.21194	1.3
261.22198	1.3
274.97424	0.8
279.19513	8.5
279.23138	5.4
280.19693	0.9
297.11090	1.2
297.20670	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	297.2423
Annotation	 [R-(E,E)]-13,14-Dihydroxy-6,10,14-trimethyl-5,9-pentadecadien-2-one
Peak:m/z	Relative Intensity
53.03945	2.2
55.01862	2.1
55.05513	26.4
57.03438	2.0
57.07074	5.8
65.03938	3.8
65.54768	1.5
67.05504	79.0
68.05836	2.2
69.07070	24.4
69.14632	2.2
69.15033	11.4
71.04996	22.4
79.05496	22.7
79.38384	1.4
81.07054	100.0
82.07377	2.1
83.08623	17.3
85.06538	19.1
91.05478	12.9
93.07042	27.0
95.04958	2.6
95.08603	88.2
96.08954	1.9
97.06534	6.4
97.10160	11.6
98.97572	2.1
99.08120	7.6
102.10115	1.5
105.07017	5.8
107.08590	14.3
109.06495	2.8
109.10153	45.0
111.08084	3.8
119.08577	9.3
121.10137	19.8
123.08030	3.7
123.11714	15.5
124.12142	1.5
125.09612	5.3
127.07553	2.5
131.08565	5.5
133.10129	10.4
135.08093	2.2
135.11703	11.3
137.09645	2.5
137.13211	7.4
139.11169	1.6
145.10097	3.4
147.11673	7.0
149.09578	1.7
149.13266	6.0
151.14835	2.1
153.09145	1.8
159.11694	1.8
161.13245	9.5
163.14780	2.6
163.85037	1.5
165.12764	4.0
167.03371	1.7
173.13382	3.0
175.14821	1.5
179.14340	3.8
187.14819	3.0
189.11192	3.5
195.13759	2.2
209.15247	2.1
223.16928	2.7
237.09152	2.2
240.68001	1.4
243.20992	2.0
246.22264	1.4
252.77460	1.6
261.22119	9.5
265.08618	2.8
274.97348	2.1
279.16000	1.5
279.23166	18.9
297.11261	5.1
297.24292	14.9
298.14160	2.1
315.83878	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2423
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
52.40599	9.3
53.31631	9.2
55.01863	29.8
55.05503	63.7
57.07067	31.0
66.68677	9.7
67.05502	91.5
69.06759	7.5
69.07063	67.9
71.34177	16.3
71.34539	11.4
72.08143	15.7
74.40293	9.6
79.05483	34.1
81.07054	100.0
83.04964	14.6
83.08604	35.2
91.05476	13.6
93.07027	60.4
95.08598	88.2
97.06536	19.2
97.10162	16.0
105.07037	22.7
107.08587	43.6
109.10149	44.5
119.08546	21.5
121.10126	50.2
123.11695	20.1
128.06270	10.9
131.08521	12.3
133.10114	13.1
135.11700	32.3
136.06192	26.1
137.05957	19.4
137.13231	12.8
139.05377	14.8
145.10152	14.8
147.11656	20.1
153.12720	47.6
159.11652	10.0
167.03378	23.4
173.13255	16.2
213.05396	12.9
223.03951	25.4
233.22580	15.0
241.04869	10.3
251.03351	24.1
251.17979	13.1
261.22174	25.4
265.08752	10.4
269.04477	9.0
279.23279	59.3
279.25912	9.0
297.03922	47.6
297.07462	10.6
297.11066	23.2
297.18457	52.2
297.22321	38.0
297.25760	35.3
298.13974	22.5
315.05014	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2425
Annotation	 [R-(E,E)]-13,14-Dihydroxy-6,10,14-trimethyl-5,9-pentadecadien-2-one
Peak:m/z	Relative Intensity
52.71574	0.6
53.03953	1.6
54.80780	0.8
55.01878	4.7
55.05513	30.2
56.17370	0.7
57.03442	5.2
57.07082	5.2
58.17671	0.6
59.04997	0.9
65.03945	2.1
67.05506	77.6
68.05851	1.2
69.03445	1.5
69.07070	42.1
69.88649	2.0
71.04998	7.4
71.08646	1.1
73.06548	1.7
74.39285	0.7
79.05493	35.1
80.05832	1.3
80.06285	0.6
81.03433	2.1
81.07059	95.6
82.07403	0.9
83.04984	6.1
83.08619	15.3
85.06541	7.0
90.29596	0.7
91.05483	12.1
93.07049	41.0
94.07394	1.1
95.04984	2.7
95.08609	88.4
96.08945	1.6
97.06538	10.9
97.10167	13.0
98.23216	1.1
99.08100	2.0
105.07037	9.7
107.08598	23.6
109.06512	1.6
109.10157	45.9
111.08092	2.9
111.11731	3.0
117.07026	3.3
119.08565	9.2
121.10148	24.8
121.10985	1.2
122.10444	0.9
123.08066	2.1
123.11715	22.8
123.12632	1.1
125.09636	3.7
131.08565	8.4
133.10141	10.6
135.08060	1.4
135.11694	15.5
136.11995	1.0
137.09624	2.6
137.13257	10.6
139.11160	5.6
141.09132	1.1
145.10149	6.8
147.11676	8.7
149.09634	1.8
149.13246	7.4
151.03871	0.9
151.11185	3.1
151.14836	2.1
153.01843	1.3
153.09062	1.0
153.12730	2.5
155.10730	1.5
159.11659	4.7
161.13243	9.3
163.11208	1.7
163.14810	4.1
165.12775	3.3
167.14265	0.9
167.75121	0.7
173.11832	1.3
173.13214	7.0
175.14851	3.2
177.12721	2.5
177.16434	1.9
179.14314	2.7
181.12276	1.5
181.15787	1.0
187.13298	1.7
187.14850	4.0
189.16373	1.2
191.14308	1.7
195.13832	1.7
201.16417	1.7
209.15436	2.6
215.16293	0.9
217.19701	0.8
223.16959	3.0
223.20686	0.7
233.22597	2.1
237.18417	1.3
237.22174	0.9
243.21072	11.7
261.22153	36.1
262.22552	1.1
269.11707	1.5
279.23193	100.0
280.23544	4.4
297.07870	1.3
297.11331	3.0
297.24246	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	297.2422
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
53.03949	3.0
55.01876	4.8
55.05512	34.4
57.03432	4.0
57.07074	6.5
63.55430	1.5
65.03921	2.5
66.08312	1.3
66.62305	1.4
67.05503	91.0
69.03432	1.8
69.06695	3.0
69.07066	45.7
69.86353	1.2
70.50932	2.1
70.51267	2.9
71.04998	8.0
71.08648	1.7
79.05495	34.7
81.07055	100.0
83.04989	6.3
83.08609	18.0
84.11247	1.4
85.06548	8.4
91.05476	16.4
93.07040	39.7
93.07593	2.7
95.04959	2.4
95.08602	91.6
96.08942	1.6
97.06528	10.6
97.10168	15.5
99.08072	2.7
105.07037	13.3
107.04947	1.2
107.08588	24.3
109.06532	3.4
109.10153	46.8
111.08078	4.7
111.11729	4.3
113.09642	2.0
117.07007	2.6
119.08575	14.2
121.10144	29.0
123.08077	5.1
123.11706	22.2
125.05990	1.3
125.09623	5.4
127.11265	1.4
131.08563	9.6
133.10118	7.3
135.11699	17.7
136.06108	1.5
137.09569	2.9
137.13254	9.4
139.07539	3.7
139.11176	5.6
143.08542	1.5
145.10187	8.7
147.11684	10.9
149.09647	2.4
149.13268	6.3
151.11212	3.2
151.14857	3.8
155.10593	1.6
159.11707	5.6
161.13240	10.1
163.11174	2.8
163.14822	4.7
165.12790	2.0
167.03455	2.3
167.07028	2.0
171.11717	2.0
173.11897	2.7
173.13304	7.0
175.14796	2.7
177.12799	1.9
177.16280	2.7
179.14275	3.3
187.13358	2.1
187.14880	5.7
189.16460	2.3
195.13808	1.5
201.16441	3.3
209.15302	3.1
215.18080	1.5
237.18558	1.9
243.21115	10.4
261.22125	33.8
279.23190	84.1
280.23526	4.1
297.11288	3.1
297.15106	1.5
297.18759	2.9
297.24335	13.2
298.24585	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2424
Annotation	 [R-(E,E)]-13,14-Dihydroxy-6,10,14-trimethyl-5,9-pentadecadien-2-one
Peak:m/z	Relative Intensity
53.03945	2.8
55.01865	3.9
55.05510	31.7
57.03446	5.4
57.07076	4.9
59.04998	1.4
61.76384	1.2
65.03930	2.5
67.05502	85.1
68.05810	0.9
69.03408	2.0
69.07066	35.8
69.86605	4.6
70.20258	0.9
71.04992	10.4
71.12936	1.0
71.53368	0.9
73.06558	1.9
74.55018	1.0
79.05489	33.7
81.07054	100.0
82.07381	2.1
83.04985	5.2
83.08611	16.6
85.06532	8.7
91.05464	13.8
93.07038	36.6
94.07388	1.3
95.04989	5.1
95.08602	82.3
96.08949	1.1
97.06538	9.3
97.10165	14.8
99.08101	3.3
105.07026	12.2
107.04971	1.1
107.08592	22.8
109.06541	2.4
109.10155	41.7
110.10473	1.9
111.08080	5.1
111.11732	2.1
117.07001	4.0
119.08584	10.3
121.06518	1.8
121.10147	23.8
123.08063	3.7
123.11702	16.7
124.11992	1.0
125.09628	5.5
131.08585	7.3
132.65306	0.9
133.10143	10.2
135.08063	2.6
135.11691	17.9
137.09604	2.5
137.13260	7.8
139.11163	3.5
143.08592	1.3
145.10129	7.5
147.11674	9.2
149.09621	3.2
149.13264	7.4
151.11182	2.7
151.14812	2.5
153.12762	1.5
159.11703	6.5
161.13263	8.8
163.11211	1.5
163.14803	3.3
165.12735	3.5
167.10719	1.8
167.14357	1.1
173.11906	1.5
173.13208	5.6
175.14862	2.7
177.12717	1.3
177.16351	2.4
179.14339	3.2
181.12302	2.1
187.14810	4.4
189.11195	3.4
189.16383	1.3
191.14232	1.9
195.11385	1.2
195.13696	1.5
201.16385	2.2
205.15950	1.6
209.15370	2.1
223.13298	5.5
223.16922	2.8
233.22438	1.0
243.21007	9.8
261.22119	20.7
262.22382	1.8
266.99899	1.7
279.23193	58.2
280.23575	3.7
283.02991	1.1
297.07620	2.2
297.11084	2.5
297.17282	2.4
297.24258	19.5
298.24536	1.7
299.06168	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	297.2788
Annotation	17-Methyl-6Z-octadecenoic acid
Peak:m/z	Relative Intensity
50.01629	0.5
53.03942	1.5
55.01873	2.7
55.05512	18.3
56.05854	0.6
57.03437	1.2
57.07073	8.8
57.50929	0.4
59.05002	3.8
65.03934	0.8
67.05160	0.9
67.05503	12.8
69.03426	3.4
69.07066	100.0
70.07392	1.5
71.04987	2.2
71.08636	2.3
73.06539	0.6
76.43885	0.4
78.72092	0.4
79.01868	1.3
79.05492	6.7
81.03414	6.1
81.07053	29.1
82.07400	0.5
83.04979	1.8
83.08616	20.9
85.02893	0.6
85.06554	3.6
85.10166	0.8
91.05492	3.9
92.84000	0.4
93.07040	14.8
95.04975	1.7
95.08604	29.4
96.08947	0.7
97.02893	2.2
97.06520	6.2
97.10165	5.9
98.22576	1.7
98.97584	0.6
99.04443	1.0
99.08086	2.8
105.07027	2.1
107.04982	0.5
107.08593	10.8
108.08958	0.5
109.02863	1.8
109.06510	1.2
109.10155	16.1
111.04462	0.8
111.08076	4.3
111.11723	16.1
111.12497	1.0
113.09641	0.5
116.98647	1.0
119.04935	0.7
119.08595	2.3
121.02870	0.9
121.06485	1.0
121.10142	9.7
122.10421	0.5
123.04485	0.7
123.08063	1.2
123.11698	9.4
125.05969	1.0
125.09640	0.9
125.13246	1.2
127.03915	2.0
127.11170	0.8
129.07013	1.0
129.12817	0.9
131.08600	0.9
131.49866	0.5
133.06442	0.5
133.10139	0.8
135.04404	0.7
135.08043	0.6
135.11694	6.1
136.06221	0.5
137.05992	1.0
137.09621	2.2
137.13235	5.1
139.11189	6.0
141.06973	0.6
143.03392	1.5
145.02473	0.5
145.06583	0.6
145.10106	1.0
147.11662	0.6
149.06076	0.5
149.13255	7.5
151.07597	0.6
151.14841	1.7
153.01826	27.3
153.02882	1.4
153.06918	0.5
154.02187	0.9
155.10704	1.4
157.10172	0.7
157.12248	0.9
163.14813	1.4
165.06995	0.9
165.16405	1.4
167.14345	4.1
173.06033	0.5
177.16411	1.7
179.03352	1.1
179.17937	0.7
181.06529	0.9
190.39926	0.5
191.17969	1.6
194.07341	0.7
195.17415	0.7
197.06084	0.5
205.19539	2.1
209.05991	0.8
209.18987	1.2
219.08072	0.8
222.06776	1.0
223.20425	0.6
226.06210	0.5
227.10558	0.5
237.09109	1.4
238.10988	1.0
247.07407	0.8
250.06230	0.6
251.18066	0.8
253.08614	0.6
254.09496	0.7
255.10129	0.7
256.07297	1.8
261.18536	0.6
261.25739	3.1
265.08450	2.3
267.06506	1.7
269.08173	0.8
269.11813	0.7
273.07687	0.5
279.19601	0.8
279.26810	6.8
280.23367	0.5
282.05762	0.6
282.09027	1.3
297.07428	6.4
297.11288	8.0
297.16605	6.7
297.22311	1.0
297.27893	30.0
298.08276	0.6
298.11441	1.2
298.28305	2.1
301.07108	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81564	1.0
65.75465	1.2
69.15346	10.0
69.90622	0.9
72.40843	1.0
95.08637	1.8
110.03676	1.3
125.02319	1.4
129.06999	1.9
132.05740	2.7
133.06410	2.2
135.04414	5.1
138.03130	4.2
146.48679	1.3
149.05887	1.6
153.01834	3.5
161.05968	1.3
165.01831	8.6
166.02632	1.5
175.07597	1.4
181.04985	13.4
181.06468	2.0
183.02840	1.2
227.07013	12.4
241.08710	1.4
243.06512	2.8
254.05826	1.7
255.06514	9.8
256.07169	2.3
269.08096	4.6
270.08875	61.0
271.09250	3.5
281.12091	1.5
283.05612	1.2
297.07547	20.9
298.08340	100.0
299.08878	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	298.0968
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
53.03935	0.1
55.01861	0.2
57.03447	0.2
61.01151	7.1
66.24460	0.1
69.03432	0.8
69.48949	0.3
69.49368	0.3
70.03753	0.1
73.02905	0.1
74.53805	0.1
75.02703	3.2
81.03413	0.9
81.07059	0.2
82.03749	0.3
85.02898	0.2
94.04063	0.5
95.56093	0.1
96.04462	0.1
97.02900	2.2
97.07689	0.1
98.03194	0.1
103.02156	0.6
109.02875	0.3
110.03218	0.1
111.04438	0.1
114.97710	0.1
115.03956	0.2
119.03554	1.2
136.06183	100.0
137.02344	0.8
137.04568	0.5
137.06668	1.2
145.03181	1.9
153.01840	0.8
153.02849	0.1
154.02191	0.9
154.05051	0.2
163.04251	1.3
170.69247	0.1
209.02589	0.1
298.06412	0.5
298.09625	3.3
298.12811	0.2
299.06183	0.1
299.09637	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0914
Annotation	Tithonine
Peak:m/z	Relative Intensity
53.00292	0.4
53.03925	0.7
55.01853	0.8
55.05510	1.5
57.03416	0.7
59.04976	0.3
62.22205	0.2
65.03934	1.6
67.01845	0.3
67.05202	0.2
67.05496	1.5
68.99775	0.3
69.03394	0.6
69.07034	0.8
70.47124	0.6
71.04968	0.5
79.05487	1.5
81.03390	0.7
81.06625	0.2
81.07052	2.6
83.04952	0.5
83.08617	0.9
85.02926	0.2
85.06539	0.4
91.05476	5.6
92.31042	0.2
93.03397	3.1
93.07028	1.6
94.04192	0.4
95.04975	0.9
95.08605	1.2
97.02872	0.5
97.06496	0.6
97.10179	0.3
99.00810	0.9
99.04435	0.4
99.81723	0.2
103.04857	0.3
103.05471	3.5
105.07025	1.9
105.59494	0.2
107.04922	1.2
107.08582	1.2
109.02843	1.2
109.06493	1.2
109.10159	1.2
111.04408	0.3
111.08053	0.5
115.05471	1.3
117.07031	1.1
118.04165	0.2
119.04933	1.7
119.08583	1.3
121.02879	1.2
121.06517	1.3
121.10107	0.8
122.03631	0.6
123.04403	0.6
123.08047	0.4
124.01536	0.2
125.06002	0.3
125.09609	0.4
127.03976	0.3
128.06198	0.4
129.06987	1.1
131.04935	3.4
131.08543	0.6
132.05690	0.3
133.06471	2.0
133.10106	1.8
134.03593	0.2
135.04370	0.8
135.08008	0.5
135.11700	0.3
137.02361	1.0
137.05959	4.5
137.09593	0.4
137.60178	0.2
139.03896	0.7
139.07484	0.2
139.11122	0.3
141.06979	0.3
142.07658	0.2
143.04907	0.6
143.08516	0.5
145.06458	0.5
145.10112	0.8
146.03601	0.4
146.07259	1.8
147.04413	2.0
147.08006	0.7
147.11656	0.3
148.05150	0.4
149.02335	5.4
149.05959	1.3
149.09587	0.3
151.03894	1.3
151.07539	0.9
151.11179	0.4
152.06175	0.3
153.01779	0.2
153.06931	0.7
153.09026	0.2
153.96576	0.2
155.03418	0.3
155.08536	1.0
157.05296	0.2
157.06483	0.5
157.10107	0.5
159.04340	0.2
159.08101	0.3
159.11649	0.4
160.05130	0.5
161.05984	1.6
161.09578	0.8
162.06738	0.6
163.03880	0.5
163.07506	1.1
165.05450	6.5
165.06966	2.1
166.07701	0.2
167.03375	2.8
168.05646	0.5
169.06320	0.3
171.11667	0.3
172.08835	0.3
173.09659	0.2
175.03854	10.4
175.05002	1.0
175.07465	2.3
175.14862	0.2
176.04257	0.4
177.09120	1.7
178.07721	0.2
178.09859	0.6
179.08501	0.4
179.10619	0.6
181.06502	0.6
181.10085	0.2
182.07263	1.3
183.08011	1.4
183.11678	0.3
184.08327	0.2
185.04427	1.2
185.05983	0.8
185.09647	0.3
185.13254	0.4
187.07333	0.2
189.09077	0.8
193.06468	0.7
193.10107	0.2
194.07268	0.2
195.04514	0.2
195.07965	0.3
195.11736	0.2
196.05200	0.2
196.08723	0.3
197.05927	0.4
197.09599	0.5
197.13271	0.3
199.07527	0.4
199.14842	0.3
200.08234	0.4
207.08086	0.4
210.06757	2.3
210.10052	0.2
211.07559	2.1
211.11223	0.3
212.08289	0.3
213.05519	1.0
213.08952	0.2
221.05981	1.2
221.09737	0.3
223.07561	0.3
224.08337	0.4
225.09096	1.6
225.11139	0.5
226.64336	0.2
227.06975	0.6
228.07758	0.6
229.08614	0.2
235.07538	0.7
238.06175	0.8
238.09970	0.4
239.07008	1.1
239.10703	0.8
240.07788	0.3
240.12578	0.3
241.04962	0.6
241.08511	0.6
243.10213	0.4
249.09140	0.2
253.08516	0.9
253.12189	0.5
255.06465	0.8
256.07294	27.3
257.07626	1.5
266.05820	0.2
266.09320	0.3
267.06546	0.3
267.10123	0.7
269.04507	0.2
270.08719	0.4
271.09641	0.7
271.13358	0.5
281.08600	0.2
281.11716	1.2
283.05896	0.3
284.06775	12.0
285.07260	0.6
288.06293	0.5
297.87848	0.2
299.09122	100.0
299.19876	1.5
300.09464	5.7
300.12683	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0914
Annotation	5,4'-DIMETHOXY-7-HYDROXYFLAVONE
Peak:m/z	Relative Intensity
52.09748	0.1
53.03932	0.1
53.14185	0.1
55.01854	0.2
55.05484	0.2
59.65729	0.1
65.03918	0.3
67.01883	0.1
67.05502	0.4
68.99773	0.2
69.03398	0.1
69.07030	0.2
69.21948	0.6
71.04995	0.1
73.08939	0.1
77.83465	0.1
79.05479	0.4
81.03396	0.2
81.07046	0.6
83.01318	0.3
91.05491	1.1
93.03408	0.8
93.07018	0.2
94.04144	0.1
95.04958	0.1
95.08614	0.5
97.02849	0.1
97.06520	0.2
98.22536	0.1
103.05468	0.8
105.07037	0.4
107.04901	0.1
107.08571	0.2
109.02856	0.1
109.06492	0.1
109.10149	0.2
111.08057	0.1
115.05434	0.4
117.06975	0.1
118.04153	0.2
119.04924	0.4
119.08548	0.3
121.06477	0.1
121.10141	0.1
122.03654	0.2
122.22200	0.1
122.52493	0.1
123.04404	0.2
123.08047	0.2
127.75762	0.1
128.06181	0.1
129.06987	0.4
131.04933	0.5
131.08467	0.1
132.05685	0.1
133.05559	0.1
133.06490	1.7
133.10107	0.2
135.04388	0.3
137.02319	0.1
137.05975	1.5
137.07648	0.1
137.09596	0.1
139.03877	0.1
143.04918	0.2
143.08507	0.1
147.04395	0.6
147.08000	0.3
149.02344	1.1
149.05968	0.2
151.03915	0.5
151.07520	0.3
153.06987	0.2
154.07779	0.1
155.08485	0.2
157.06451	0.2
159.04396	0.3
159.07991	0.2
160.05212	0.2
161.05997	0.4
161.13240	0.1
162.06752	0.1
163.03876	0.2
163.07573	0.3
164.04724	0.1
164.08279	0.2
165.05453	1.4
165.06979	0.6
167.03391	3.6
167.04637	0.1
168.05739	0.1
169.06476	0.1
169.10114	0.1
174.06729	0.1
175.03867	2.5
175.04935	0.2
175.07498	0.8
176.04294	0.1
177.05421	0.1
178.07799	0.1
179.08530	0.1
181.06419	0.2
182.07231	0.3
183.08003	0.3
183.11717	0.1
185.05969	0.1
189.09123	0.3
195.08046	0.1
196.08792	0.1
197.09647	0.1
199.07556	0.2
199.14812	0.1
207.07970	0.1
209.05820	0.1
210.06793	0.5
211.07706	0.4
211.14838	0.1
212.08391	0.1
213.05467	0.3
221.05995	0.2
223.07455	0.1
225.05486	0.1
225.09166	0.4
227.07034	0.3
228.07748	0.2
229.08466	0.1
235.07574	0.2
237.05560	0.1
238.06227	0.2
238.09969	0.1
239.06955	0.2
239.10622	0.2
241.04906	0.2
241.08577	0.2
249.08955	0.1
253.08560	0.3
255.06558	0.3
256.07297	40.2
257.05023	0.1
257.07602	1.8
267.06540	0.1
267.10110	0.3
270.08844	0.2
271.06863	0.1
271.09659	0.3
281.08359	0.1
281.11728	0.3
284.06781	15.3
285.07169	0.8
299.09122	100.0
300.09467	5.4
300.12955	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0913
Annotation	3-HYDROXY-3',4'-DIMETHOXYFLAVONE
Peak:m/z	Relative Intensity
55.05496	0.5
57.03442	0.5
67.05496	1.1
69.07059	0.6
69.92862	1.0
69.93266	0.8
79.05493	0.9
81.03407	0.4
81.07051	1.5
83.01322	1.3
91.05457	2.4
93.03405	0.4
95.04976	0.6
95.08615	1.2
107.04949	0.8
107.08575	0.5
119.04929	3.9
119.08551	0.5
121.02853	1.8
123.07962	0.4
133.10109	0.4
135.04373	0.8
145.02840	0.5
151.07500	0.5
155.08684	0.3
163.03906	0.4
169.06534	0.5
175.07513	0.4
179.03381	1.9
181.04927	8.4
197.05960	0.5
215.04814	0.4
253.08800	0.5
256.07077	0.5
271.09781	0.7
283.05881	0.8
284.06775	1.3
297.07544	2.6
299.09106	100.0
300.09454	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	299.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16546	0.2
51.79240	0.2
53.78755	0.2
55.05497	0.2
55.11192	0.1
55.88531	0.1
57.07067	0.2
57.38029	0.2
67.05488	0.3
69.08124	0.2
69.62777	0.7
69.63181	0.3
70.18635	0.2
71.04983	0.2
79.05483	0.2
81.07051	0.2
81.19622	0.2
87.38329	0.1
133.06470	1.8
135.04366	0.4
138.94128	0.2
159.04366	0.3
161.04082	0.1
167.03395	3.9
255.06535	0.4
256.07306	43.4
257.07632	2.0
284.06787	16.4
285.06879	0.8
297.07574	0.3
299.09128	100.0
300.09467	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	299.0913
Annotation	Alfalone
Peak:m/z	Relative Intensity
53.03931	1.1
55.01865	0.9
55.05505	0.4
57.03436	0.3
65.03935	0.4
66.68340	0.3
67.01867	0.5
67.05482	0.9
68.99788	0.6
69.03426	0.4
70.70606	0.6
73.99586	0.2
78.04705	0.5
78.09105	0.2
79.05493	1.9
81.03399	0.9
81.07028	0.7
83.01340	0.2
83.05003	0.2
85.02966	0.2
85.34727	0.2
89.03902	2.5
91.05476	1.3
93.07021	0.4
95.04958	1.6
95.08611	0.3
97.06529	0.3
103.05465	0.6
105.04514	0.7
105.06995	0.5
106.04169	0.3
107.04943	100.0
108.02115	0.3
108.05278	2.2
109.02847	0.5
109.06504	0.4
109.10110	0.4
115.05460	0.8
117.03384	1.5
117.04071	0.2
119.04937	0.3
119.08620	0.3
122.03674	0.3
123.04443	0.4
125.02278	0.4
125.05969	0.6
127.03941	0.3
129.06993	0.9
131.08463	0.2
134.03645	0.5
135.04381	1.1
137.02354	1.2
137.05949	3.4
139.05409	0.4
140.06195	0.6
141.07011	0.5
143.08551	0.3
145.10072	0.3
147.04353	1.2
149.05951	3.3
151.03889	3.5
151.05000	0.6
151.07526	0.2
152.06200	0.7
153.01807	1.0
153.06938	1.5
155.02330	0.4
155.08568	0.8
157.06497	1.2
160.84163	0.3
161.05968	0.9
165.05545	0.5
165.06993	1.5
166.02605	0.3
167.04802	0.4
168.05690	4.1
169.05072	0.4
169.06461	1.1
171.04410	0.4
175.03877	0.9
175.07544	1.3
179.04843	0.5
181.06447	1.6
182.07224	0.6
183.08020	2.7
185.05930	2.5
189.05508	0.4
189.09064	0.8
192.04091	1.5
193.04948	33.7
194.05293	0.9
195.08115	0.3
196.05197	3.5
197.05945	2.7
199.07542	0.9
200.08296	0.8
201.08980	0.3
203.07088	0.3
209.05928	0.4
210.06789	0.8
211.02048	0.3
211.07518	7.1
212.08243	1.0
213.05426	4.7
213.08870	0.4
221.05916	0.3
224.04683	0.4
225.05487	1.1
225.09125	0.5
227.06949	1.8
228.07739	2.7
235.07523	0.5
238.06230	0.6
239.07005	2.3
240.07777	0.9
241.04915	1.2
242.05603	0.2
243.06548	0.3
243.10135	1.7
253.08578	0.5
255.06541	0.5
256.07272	2.9
257.07956	0.7
258.08951	0.6
267.06528	0.9
267.10028	0.7
269.04553	0.3
269.07874	0.3
271.09601	1.3
274.08258	0.3
284.06805	0.4
299.09109	78.1
300.09476	3.7
303.08603	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0913
Annotation	3',7-Dimethoxy-3-hydroxyflavone
Peak:m/z	Relative Intensity
53.29438	0.1
55.01888	0.2
55.05503	0.4
57.52432	0.2
67.01846	0.1
67.05494	0.4
69.07056	0.3
69.18318	0.3
69.18724	1.0
71.04981	0.2
72.08202	0.1
79.05508	0.2
81.07047	0.5
81.29722	0.2
91.05463	0.2
93.07030	0.3
95.08591	0.5
98.22626	0.3
107.08593	0.3
109.10160	0.2
118.04097	0.2
121.10123	0.2
123.08028	0.2
133.06462	1.6
135.04434	0.2
135.11636	0.2
137.05963	0.1
147.07983	0.2
158.07390	0.2
159.04417	0.4
161.06062	0.2
165.01820	0.2
167.03387	2.9
168.03709	0.2
254.05846	0.3
256.07288	39.1
257.07639	2.1
284.06772	14.8
285.07181	1.0
297.07523	0.5
299.09109	100.0
300.09454	6.1
300.12894	0.3
300.29007	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0913
Annotation	5,4'-DIMETHOXY-7-HYDROXYFLAVONE
Peak:m/z	Relative Intensity
55.05503	0.9
59.85609	0.3
64.77856	0.3
66.55746	0.3
66.65940	0.3
67.05493	1.3
69.07054	0.9
71.32857	0.5
71.33297	0.4
74.21602	0.3
79.05470	0.6
81.03455	0.4
81.07046	1.2
83.08618	0.6
91.05483	0.6
93.07020	0.7
95.08615	1.8
96.08942	0.5
97.06550	0.3
98.09332	0.3
105.07031	0.7
107.08558	0.4
109.10146	1.0
119.04914	1.0
119.08543	0.5
121.02847	1.9
121.10142	0.6
125.02357	0.4
133.10107	0.4
138.03096	0.7
153.01833	1.0
155.08545	0.3
159.11760	0.4
163.03899	0.4
165.01895	0.4
166.02698	0.7
171.11610	0.4
181.04996	1.7
183.02730	0.3
183.11769	0.4
213.05424	0.3
224.45398	0.3
227.07050	0.5
229.04951	1.1
239.06839	0.4
253.19482	0.4
255.06519	2.5
256.07285	3.8
267.06635	1.4
283.05991	14.3
284.06766	20.3
285.07120	1.2
299.09119	100.0
299.19977	1.5
300.09448	5.1
304.55246	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0913
Annotation	3',7-Dimethoxy-3-hydroxyflavone
Peak:m/z	Relative Intensity
65.15639	0.2
69.21721	0.4
69.22124	1.3
77.97121	0.2
99.04436	0.2
121.86558	0.2
124.01570	1.0
124.75473	0.2
133.06491	1.6
134.07288	0.3
135.04355	0.5
146.47913	0.2
159.04288	0.2
167.03397	2.6
197.06007	0.8
201.05476	0.5
211.07458	0.6
213.05502	0.5
227.06920	0.6
239.06955	0.3
241.04993	0.3
256.07291	39.9
257.07666	1.8
284.06778	17.7
285.07089	0.9
299.09119	100.0
300.09464	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	299.1276
Annotation	CHEMBL2147415
Peak:m/z	Relative Intensity
50.07809	0.5
53.03939	1.1
55.01875	1.7
55.05514	1.3
65.03943	1.4
67.05498	6.5
69.03400	0.9
69.07059	1.3
70.25732	0.5
71.04975	1.0
71.32490	0.7
78.04709	1.2
79.05489	3.5
81.03425	0.6
81.07043	4.1
85.26620	0.6
91.05473	15.3
93.03418	0.7
93.07053	1.9
94.04199	2.3
95.04979	1.0
95.08607	5.2
103.05477	5.4
104.06255	6.3
105.07042	2.9
106.04183	1.8
107.04914	2.5
107.08617	1.3
108.02139	1.1
109.06512	7.0
109.10173	2.3
111.04464	0.9
115.05447	24.4
116.06287	0.9
117.07021	13.5
119.04967	0.7
119.08563	3.4
121.06506	2.3
122.03646	4.4
123.04434	1.0
123.08054	0.6
124.01600	1.7
128.06236	1.6
129.06992	1.5
131.04918	5.8
131.08566	1.2
132.05713	10.6
133.06485	1.4
133.10132	1.0
135.04411	1.9
137.05969	38.2
138.06290	1.3
141.05461	1.2
141.09135	0.9
143.04887	3.2
143.08574	0.9
144.05663	0.7
145.06473	3.3
147.04398	0.8
147.08037	10.2
148.05197	1.1
149.05980	4.5
149.09595	0.7
150.06708	0.9
151.03905	43.0
151.04999	3.4
151.07510	1.1
152.04214	0.8
152.06160	0.7
153.06990	1.5
154.07654	0.6
157.06508	1.2
157.10077	1.2
158.07262	0.9
159.04428	0.7
159.10213	1.2
159.11682	0.7
160.05188	14.4
161.05972	1.8
162.06773	1.0
163.07550	3.2
165.07060	2.3
166.07809	0.8
167.03426	1.8
167.08595	1.6
168.05757	1.0
168.09227	0.6
169.10126	0.8
171.11690	0.7
172.08832	0.5
173.06039	0.7
173.11832	0.9
174.06769	0.6
175.07533	57.3
176.07886	2.7
177.07085	0.9
178.07779	7.1
179.08540	12.5
180.09184	0.9
181.06476	5.2
181.10216	0.7
182.07106	1.1
183.08092	0.7
183.11710	1.4
185.13240	1.0
189.07031	1.5
190.07774	0.8
191.08432	0.8
192.05641	1.2
192.09283	0.8
193.10159	2.0
194.07314	1.0
195.08046	7.9
196.05116	0.7
196.08829	7.2
197.05956	1.4
197.09570	1.1
197.13235	0.8
198.06749	0.8
201.05547	0.6
205.06467	1.1
206.07249	2.7
207.08035	14.8
207.09911	0.9
208.08772	2.2
209.06010	2.1
209.09489	2.6
210.06810	1.8
210.10281	2.7
211.07512	2.5
211.11188	2.1
212.08276	0.9
213.05469	0.8
213.09143	2.2
219.07994	0.9
220.05110	0.7
220.08844	0.7
221.06119	0.9
221.09567	4.2
223.07520	7.2
224.08311	11.8
225.05563	0.5
225.09103	3.5
226.06174	0.6
227.07039	2.2
234.06793	2.0
235.07527	31.9
236.08076	3.1
237.05460	2.9
237.08994	2.5
238.09871	12.6
238.12247	0.9
239.06934	1.2
239.10638	16.7
240.11029	1.4
241.04927	0.7
241.08463	3.5
242.09183	0.7
249.09109	8.5
250.09850	1.2
251.06944	3.9
252.07806	6.6
253.08549	1.9
253.12274	5.6
253.19534	2.5
255.06604	1.3
256.07291	34.5
256.10773	1.4
257.07730	1.8
265.08688	1.2
266.09372	10.7
267.10135	27.0
268.10709	2.1
269.08047	4.4
270.08777	0.7
271.10495	0.7
271.13239	3.7
281.11710	35.4
282.12094	3.0
282.27948	0.9
283.06082	1.1
284.06805	17.4
284.10358	3.5
285.07217	1.2
299.09164	100.0
299.12799	82.2
299.16006	2.5
299.19794	6.2
300.09500	7.7
300.13120	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	299.1277
Annotation	CHEMBL2147415
Peak:m/z	Relative Intensity
50.05449	1.2
53.03943	1.5
55.01880	3.2
57.03428	1.2
69.06789	9.9
69.07207	4.6
71.04998	1.7
77.81248	1.6
78.04712	2.2
79.05491	3.3
81.03402	2.5
81.07060	2.2
85.02892	1.6
91.05488	19.8
94.04206	2.0
95.04965	2.1
95.08592	1.7
103.05475	14.7
104.06267	8.4
105.07063	1.8
106.04163	2.3
107.04971	2.3
108.02090	2.3
108.66518	1.4
109.02881	2.0
109.06529	8.8
115.04642	1.9
115.05457	29.3
117.07022	14.5
119.08547	2.8
121.06484	3.9
122.03638	5.9
129.06934	2.3
131.04919	12.2
132.05734	13.7
137.02351	20.9
137.03398	2.9
137.05975	62.6
143.04933	1.7
147.08058	11.3
149.02380	1.5
149.05980	5.5
151.03914	46.3
151.04999	4.1
151.07535	2.6
153.06941	1.6
160.05200	16.0
161.05951	2.6
161.63742	1.5
163.07509	5.8
164.08220	1.6
165.05617	2.0
165.06941	2.6
167.07135	1.4
167.08485	2.9
167.97574	1.4
169.62897	1.6
175.07552	69.7
176.07884	2.4
178.07748	8.8
179.08549	14.7
181.06401	6.8
182.07204	1.5
195.07990	6.3
196.08768	7.5
206.07320	2.4
207.08037	17.1
209.05898	3.3
209.09622	3.1
210.06747	1.4
210.10414	3.7
213.09198	2.5
221.06116	1.7
221.09650	6.2
223.07494	8.2
224.08336	12.7
225.09151	4.3
234.06841	2.3
235.07553	33.9
236.08075	2.9
237.05516	2.4
237.09055	2.6
238.09901	11.3
239.10648	18.9
241.08493	6.7
249.09171	9.2
251.07088	3.2
252.07758	6.5
253.08331	2.5
253.12230	5.6
256.10989	2.2
266.09406	9.9
267.10184	28.7
268.10690	3.2
269.07977	3.4
271.13290	2.6
281.11713	43.1
284.10391	4.9
299.09256	6.1
299.12750	100.0
300.12979	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	299.1278
Annotation	7,4'-Dimethoxy-6-C-methylflavanone
Peak:m/z	Relative Intensity
53.03939	1.2
55.01861	3.2
65.03928	1.5
67.05502	1.8
67.27061	0.7
68.37732	0.8
68.99750	0.9
69.03439	2.0
69.84941	3.8
77.03930	1.2
79.05505	4.3
81.03411	2.6
81.07052	2.0
83.04881	0.8
85.02905	1.2
85.06534	1.6
91.05483	31.8
93.03387	2.0
93.07047	4.3
94.04144	0.9
95.04996	3.8
95.08580	1.0
102.04665	2.1
103.05463	15.6
104.06229	2.9
105.03352	1.2
105.07035	6.4
106.04144	1.9
107.04958	21.2
108.05709	2.8
109.02854	1.4
109.06515	5.3
109.10126	1.2
115.05454	28.5
116.06199	2.9
117.07021	32.8
118.07302	1.0
119.04950	8.6
119.05807	1.3
119.05975	1.1
119.08585	4.0
121.06506	70.2
122.03651	0.9
122.06807	1.9
123.04433	8.9
124.05205	0.9
128.06198	1.1
129.06964	1.3
130.04118	2.4
131.04922	34.4
131.05901	1.9
132.05743	5.9
133.06477	10.1
134.07310	4.5
135.04405	7.1
135.08060	5.1
136.05170	2.4
137.02342	12.2
137.03394	1.6
137.05988	13.0
143.04924	9.6
144.05670	2.4
145.06497	16.6
145.07553	1.3
146.07266	100.0
147.04424	6.7
147.08072	14.9
148.05162	3.1
148.08748	1.9
149.05980	56.3
149.09593	9.9
150.06306	1.0
151.03853	4.9
151.04945	1.2
151.06343	1.6
151.07536	31.4
152.06192	1.6
153.07050	0.8
155.05992	2.5
157.06485	1.9
159.08002	1.3
160.05202	3.8
161.05972	25.5
162.06761	30.3
163.07536	18.0
164.08298	3.3
165.05455	2.8
165.07016	2.2
165.09108	2.0
166.07643	0.9
167.08592	2.0
169.06500	1.0
174.06744	0.9
175.03883	1.7
175.07535	11.4
176.08200	1.2
177.09109	94.1
178.07822	2.4
178.09875	39.6
179.07011	2.2
179.08528	4.3
179.10115	1.6
180.53876	0.7
181.06503	3.2
182.07295	1.8
185.09706	0.9
189.09076	1.7
192.09335	1.0
193.06543	0.9
194.07309	1.0
195.08057	7.1
196.08817	1.3
197.05963	3.9
197.09575	2.5
198.06796	3.9
199.07478	1.6
205.60376	0.9
205.71208	1.0
206.07161	1.4
207.08055	4.7
208.08823	1.5
209.05885	1.4
209.09578	1.6
210.06786	3.9
211.07550	3.7
211.11136	1.5
213.09084	4.6
221.09641	2.2
222.10408	1.8
223.07492	3.7
224.08231	3.6
225.09113	16.5
226.06017	0.9
226.09622	1.7
229.12363	1.2
235.07524	8.1
237.09100	1.0
238.06311	1.4
238.09874	3.5
239.07065	1.6
239.10612	7.1
240.11238	1.8
241.08603	18.1
242.09213	2.8
243.10135	0.9
243.13800	4.0
249.09050	2.8
250.09830	2.8
251.07021	1.7
252.07718	1.2
253.08640	3.9
253.12157	6.1
255.10153	1.7
256.10913	4.4
257.11746	4.4
266.09244	2.8
266.54340	0.8
267.10138	7.4
268.10898	2.6
269.08078	1.5
271.09698	1.4
271.13190	3.2
281.06720	1.0
281.11725	21.4
284.10388	1.6
299.09134	7.3
299.12717	59.3
300.13037	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	299.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
55.01863	2.2
63.24903	0.4
64.98693	0.4
65.03937	1.1
67.05506	1.6
68.99776	0.4
69.03410	0.4
71.34026	0.6
71.34382	0.5
73.45669	0.3
79.05511	2.3
81.03418	0.9
81.07055	2.2
91.05478	8.3
93.07043	1.1
94.04176	2.3
95.04964	2.9
103.05460	6.0
105.07047	1.6
105.49205	0.4
107.04954	18.9
108.05247	0.5
109.02876	0.6
109.06523	4.0
109.10115	0.9
111.04437	0.5
115.05454	2.2
117.07001	1.1
119.04958	2.6
119.05738	0.4
119.08574	2.1
121.02824	0.6
121.06499	3.2
122.03629	5.1
123.04426	37.3
124.04759	0.6
128.06203	3.5
129.07005	10.7
131.04922	5.5
131.08562	0.6
132.05687	1.2
133.06523	0.7
134.03621	3.1
135.04440	2.1
136.05174	0.7
137.02422	2.5
137.05974	71.6
138.06316	2.8
141.07007	4.5
143.04936	1.5
145.06458	2.6
147.04398	9.6
147.08052	5.1
149.05978	8.1
150.06752	1.9
151.03903	0.9
151.07550	5.1
152.06212	2.2
153.01749	0.5
153.06958	0.9
155.06062	0.7
157.06487	10.7
158.06912	0.6
160.05182	1.8
161.05972	1.8
163.07518	3.2
165.07001	1.6
168.05675	1.0
169.06485	23.7
170.07068	1.2
171.04359	0.5
173.06036	1.8
174.06805	2.1
175.07538	23.1
176.08008	0.6
177.09077	1.0
178.07770	2.2
179.08507	0.5
180.05692	1.5
181.06514	3.7
183.08017	1.0
185.05850	0.6
187.07509	2.6
189.09106	5.8
193.04958	5.2
193.06519	0.5
193.10127	1.4
195.08098	0.9
196.05283	0.7
197.05971	31.7
198.06700	5.2
199.07487	0.9
203.08551	1.1
205.06419	0.5
206.07339	0.6
207.04424	4.1
209.06015	3.0
210.06747	1.4
211.07579	2.6
212.08217	0.9
213.05417	1.3
213.09222	0.7
215.07016	6.1
221.05991	0.8
221.09593	2.2
223.07550	0.9
224.08289	0.7
225.05457	18.1
225.09073	0.8
226.06183	5.8
227.07005	2.5
228.07802	0.5
229.08633	0.7
230.09372	0.4
234.06760	1.0
239.07143	1.9
239.10577	2.1
240.07759	4.1
241.08658	3.7
243.06506	8.9
243.10211	0.5
244.06947	0.5
245.08107	1.4
249.09068	1.2
253.08597	1.0
253.12292	1.2
255.06694	0.9
256.07166	0.5
257.08072	1.9
258.08871	100.0
259.09216	5.4
267.06754	0.9
267.10159	5.2
268.10681	0.7
270.08835	1.3
271.09534	0.8
281.11719	0.8
284.10275	0.5
299.05621	0.9
299.09122	12.7
299.12759	15.3
300.13141	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1277
Annotation	CHEMBL2147415
Peak:m/z	Relative Intensity
53.03933	2.7
55.01859	2.8
65.03934	2.9
67.05503	1.6
68.02640	0.7
69.03421	1.9
70.33243	1.3
70.33572	1.2
72.91159	0.8
77.03924	0.9
78.04689	3.3
79.05492	5.1
81.03426	1.0
81.07039	3.1
83.04982	1.2
83.22776	0.7
91.05479	25.4
92.05820	1.2
93.03398	1.3
93.07021	1.8
94.04167	4.1
95.04958	4.4
95.08650	0.8
103.05472	7.8
104.06251	12.0
105.03377	1.3
105.04469	1.7
105.07042	4.6
106.04190	5.0
107.04961	4.4
108.02051	1.5
109.06509	9.9
111.04412	1.9
115.05451	46.3
116.06287	1.1
117.07015	20.9
119.04942	2.0
119.08576	5.0
121.06496	4.4
122.02914	0.8
122.03666	9.5
123.04381	2.3
124.05207	0.7
125.06020	1.0
128.06161	2.4
129.07008	3.7
131.04941	8.7
132.05707	17.8
133.06496	0.9
135.04424	2.5
135.08080	1.2
137.02406	3.5
137.05972	83.8
138.06291	2.2
141.05415	1.1
143.04903	5.6
145.06464	3.0
147.04375	2.5
147.08031	18.2
149.02319	1.5
149.05977	8.6
149.09618	0.8
150.06779	1.8
151.03909	63.9
151.04999	7.8
151.07539	4.1
152.04181	1.7
152.06200	1.2
153.06932	3.4
157.06479	3.6
160.05183	25.2
161.05960	3.8
162.06760	1.7
163.07506	5.1
165.05722	1.0
165.06958	4.4
166.07689	1.3
167.08560	4.5
168.05721	0.9
168.09294	1.7
169.06419	1.1
173.05978	1.3
174.06750	1.0
175.03943	1.9
175.07541	84.6
176.07881	3.4
177.06918	0.9
178.07758	16.6
179.08543	24.7
180.09113	1.6
181.04999	0.9
181.06480	9.4
181.10051	1.4
182.07234	2.2
183.07990	1.4
185.05939	0.8
187.07666	0.8
189.05403	0.9
189.06961	2.3
190.07701	1.6
191.08502	1.7
192.05597	2.8
193.06445	0.8
193.10130	3.3
195.08012	13.2
196.08813	15.3
197.05914	0.9
197.09526	2.5
198.06813	1.7
199.07477	1.2
205.06438	3.0
206.07283	3.9
207.08035	28.5
208.08734	4.0
209.06036	3.9
209.09612	5.1
210.06744	3.3
210.10368	4.3
211.07518	2.9
211.11124	3.8
213.09129	4.4
219.08049	1.3
220.08849	0.9
221.06015	1.6
221.09581	8.5
222.10088	0.9
223.07541	13.2
223.11200	1.3
224.08304	19.7
225.09047	8.1
225.12584	0.7
226.06183	1.5
227.06940	1.9
229.95343	0.9
233.05945	0.8
234.06763	4.8
235.07520	56.5
236.07990	6.4
237.05455	4.7
237.09158	3.5
238.09868	21.6
239.10649	27.5
240.07697	0.9
240.11169	1.4
241.08546	7.7
249.06538	1.2
249.09097	17.7
250.09760	2.7
251.07062	5.3
251.09544	0.8
251.10542	0.8
252.07803	10.8
253.08421	2.7
253.12251	9.6
254.12534	0.8
255.06577	1.4
256.10867	2.3
258.08896	1.4
265.08575	2.9
266.09326	17.2
267.10129	46.5
268.10556	4.9
269.08154	6.8
270.08755	2.6
271.13235	4.1
281.11710	77.6
282.12073	4.6
284.10403	5.9
299.09094	10.9
299.12698	100.0
300.09595	1.4
300.13010	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	299.1277
Annotation	7,4'-Dimethoxy-6-C-methylflavanone
Peak:m/z	Relative Intensity
51.02384	0.4
53.03953	1.5
55.01876	6.7
55.05505	0.8
57.33598	0.4
65.03934	2.7
67.01866	2.0
67.05497	0.9
69.03434	3.9
70.18733	0.9
77.03940	0.7
78.75046	0.5
79.05495	14.2
80.05872	0.5
80.06313	0.8
81.03429	0.5
81.07072	1.1
81.66376	0.4
83.04977	0.8
91.05479	9.8
93.03407	3.9
93.07046	1.5
94.04173	1.0
95.04975	3.4
95.08626	1.0
101.06037	1.0
103.05472	10.4
105.03415	1.0
105.04539	1.3
105.07034	32.1
106.07394	0.9
107.04958	7.4
107.08585	0.5
108.05762	2.7
109.06508	1.7
109.10159	1.1
115.05457	34.5
116.05739	0.8
117.07006	1.1
119.04959	1.3
121.02903	1.1
121.06513	3.0
122.03645	1.1
123.04440	1.6
128.06203	1.4
129.07002	1.7
131.04916	1.9
131.08540	0.6
132.05707	0.8
133.06490	17.2
134.06822	0.5
135.04414	3.6
135.08064	1.5
136.05199	9.5
137.02364	1.0
137.05983	8.3
138.06764	0.8
143.04924	6.9
145.06491	2.0
146.07243	0.8
147.04414	1.9
147.08057	0.5
148.05115	1.0
149.02357	0.8
149.05966	2.9
151.03955	1.0
151.07541	43.2
152.06102	0.4
152.07874	1.7
153.01779	0.5
153.05516	0.5
153.06985	1.2
155.07066	1.0
155.08469	0.7
157.06488	1.8
158.07217	0.7
159.07997	0.5
160.05191	1.6
161.05978	100.0
162.06276	3.6
163.07558	1.7
164.08298	3.5
165.05496	21.6
165.06949	2.4
166.05849	0.7
167.08540	1.8
168.05621	0.4
169.10207	1.0
171.42120	0.5
173.06010	0.5
174.06833	1.2
174.52184	0.4
175.03925	1.5
175.07544	6.2
177.06992	0.5
178.07777	3.5
179.08533	1.9
181.06447	3.1
182.07184	0.7
183.08052	1.3
185.09622	0.7
187.07491	1.3
188.08319	1.2
189.09062	2.3
190.07785	0.8
191.08531	1.5
192.09380	0.9
193.06564	0.5
193.10155	3.0
194.07256	1.1
195.08043	6.7
196.08780	2.1
197.05933	0.7
197.09595	1.9
197.13245	0.6
198.06696	1.2
199.07564	1.4
201.09000	0.5
205.06488	1.1
206.07306	3.0
207.08076	3.8
208.08751	1.4
209.06053	0.9
209.09612	3.3
210.06783	1.1
210.10405	1.9
211.07539	2.9
211.11108	1.6
212.08238	0.9
213.09044	4.1
215.06454	0.4
217.08502	0.6
219.08061	1.5
220.08847	1.0
221.06250	0.5
221.09619	7.9
222.10344	2.9
223.07506	6.3
223.11102	1.2
224.08218	2.2
225.09094	5.8
226.06194	0.6
226.09746	1.0
227.07031	1.7
227.10628	1.2
229.08557	0.5
229.12244	0.8
234.06761	1.8
235.07535	6.1
236.07990	0.5
237.09109	4.9
238.09863	7.5
239.06995	0.9
239.10623	5.2
240.11485	2.8
241.08604	4.2
242.09291	1.0
243.13745	1.1
248.08430	0.5
249.09120	15.7
250.09854	7.1
251.07053	2.6
251.10619	1.3
252.07703	1.3
253.08563	4.0
253.12238	12.8
253.14182	0.3
255.06441	1.5
256.10934	1.6
263.10684	0.5
265.08505	1.5
266.09375	5.4
267.10190	5.8
268.10928	12.5
269.08023	2.4
269.11447	1.0
270.08896	2.4
271.09714	1.0
271.13248	5.7
271.20483	0.5
281.11716	29.8
282.12021	1.5
284.10461	7.5
299.09140	6.1
299.12726	55.9
299.20007	2.0
300.12903	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	299.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.1
55.01871	3.9
55.05508	12.3
57.07070	1.5
67.05502	10.5
69.07065	100.0
69.88960	5.6
70.07408	1.7
71.04983	2.2
73.06548	11.3
76.22688	1.3
79.05489	31.4
81.03410	5.3
81.07057	16.5
83.04967	2.5
83.08621	2.3
85.06551	1.4
91.05470	3.1
93.07039	12.2
95.05009	1.6
95.08611	11.2
97.06528	36.3
97.10155	6.3
99.08073	2.0
105.07035	2.9
107.08597	1.7
109.10172	2.1
111.11705	2.7
115.07584	7.6
119.08546	2.0
121.10163	8.9
123.08047	2.5
125.05983	57.3
131.08559	1.4
133.10120	2.2
137.09631	2.6
137.81985	1.3
139.11176	19.7
143.07024	99.8
144.07359	3.0
147.11697	1.6
157.12245	4.2
159.06516	1.2
161.08081	17.4
165.09096	2.4
171.11685	1.3
175.09808	1.3
175.11192	1.3
176.22443	1.1
188.54988	1.1
210.06812	1.2
211.07635	1.3
217.15753	1.3
235.17082	1.5
239.06889	1.6
281.17331	6.2
299.09073	6.3
299.12454	2.0
299.20215	1.8
300.09143	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.6
55.01869	5.3
55.05511	56.0
57.03432	2.3
57.07072	3.1
59.04991	1.3
67.05503	26.7
69.03428	5.5
69.07066	100.0
70.06594	1.7
70.07426	1.3
71.04988	4.6
71.11100	2.0
72.72799	0.9
79.05492	20.3
81.07058	30.1
83.04974	8.4
83.05367	0.9
83.08619	26.4
85.06526	2.2
91.05479	2.8
93.07040	21.0
95.08602	17.9
97.06533	9.4
97.10165	53.9
98.10540	1.2
98.22704	0.9
105.07034	3.4
105.89750	1.0
107.08595	15.7
109.06506	1.4
109.10159	8.9
111.08087	3.0
111.11726	13.4
119.08551	5.3
121.10144	18.5
123.08080	3.5
123.11697	1.3
125.09626	59.7
126.09961	1.4
129.07057	1.0
131.08592	1.0
132.10185	1.4
133.10123	3.6
135.08066	3.5
135.11696	3.4
137.09654	2.9
139.11174	29.0
143.10663	12.3
145.10168	1.6
147.11710	1.9
149.13324	1.9
151.21608	0.8
153.09146	2.2
157.10197	1.3
157.12238	5.3
161.13292	1.4
171.10231	1.9
171.11624	1.2
173.29541	0.9
179.10646	1.0
189.11211	37.6
190.11597	1.3
199.25462	1.0
203.12805	1.1
217.19600	1.2
241.05214	0.8
245.19035	3.3
261.03943	1.0
263.20026	16.3
267.06458	1.1
281.21085	41.1
282.21518	1.8
299.09109	2.0
299.22348	3.0
299.30441	0.9
300.28946	7.5
305.53610	1.0
314.41687	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.0242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
55.01861	0.6
56.96569	4.3
57.03425	1.5
61.02912	1.5
65.66258	0.5
69.03433	4.3
70.06582	0.8
71.04977	0.5
71.31036	0.5
71.31555	0.6
71.95261	1.0
73.02914	1.1
79.05499	0.5
81.03417	1.5
84.08147	0.9
85.02907	7.1
86.09692	1.0
87.04451	0.6
88.73008	0.4
91.05492	0.5
93.07041	1.4
94.06564	0.7
97.02893	3.4
98.97584	44.7
109.02853	0.8
110.06059	0.8
116.98624	26.5
119.01927	1.4
120.08105	31.2
121.01703	0.6
121.06509	0.5
122.09686	3.2
127.03926	1.9
134.99664	8.9
138.05518	12.1
138.09140	100.0
139.09451	1.6
145.04979	1.0
153.00722	0.5
160.00082	0.6
160.06354	0.7
167.14130	0.4
174.97638	1.6
175.97777	1.7
177.01001	2.9
178.00992	2.8
179.00682	1.3
190.07445	0.4
192.94923	0.5
192.98714	0.9
193.98801	1.1
201.01042	0.6
204.02635	3.6
205.00481	1.3
205.02254	1.1
210.95776	0.9
216.98804	1.6
219.01976	3.6
220.02097	2.2
221.01729	1.1
221.05135	0.9
232.00409	0.9
233.03490	1.2
233.96698	1.3
234.96155	0.8
234.99680	1.1
240.20200	0.5
240.98807	1.7
246.03908	1.1
248.01625	0.9
249.01216	0.8
251.97864	0.8
252.97069	0.9
253.02327	0.8
257.97180	0.5
258.99722	24.1
259.99991	1.2
263.02951	1.4
270.06726	0.6
270.49063	0.5
275.97910	1.5
275.99506	1.5
276.97543	1.5
277.00763	30.4
278.00977	1.9
283.00101	0.9
286.07706	0.7
294.98123	1.3
295.03214	1.3
299.97800	2.8
300.10593	7.2
300.14441	17.7
300.97690	1.1
301.02423	0.6
301.08939	5.9
301.14722	0.8
317.98969	7.3
318.02335	0.6
318.09052	0.8
318.98624	1.9
319.03723	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43806	0.9
53.03956	1.0
55.01869	0.9
56.96566	1.9
57.03433	1.8
58.92393	0.7
59.05000	22.8
61.02919	2.3
65.03953	1.2
69.03432	5.6
69.52680	2.9
69.53094	2.1
70.06600	1.2
72.31924	0.8
73.02891	0.7
81.03423	1.7
81.42043	0.8
83.04990	1.5
85.02902	14.9
87.04494	0.8
88.02230	0.9
89.06034	9.0
91.05477	2.8
92.05004	3.4
93.07056	1.7
97.02878	6.2
98.97575	9.0
99.04419	0.9
103.05457	0.9
103.07576	6.2
106.04169	1.1
107.04969	1.4
109.02889	1.2
116.98605	4.5
120.08111	22.9
121.06506	2.5
121.08611	42.4
122.09674	1.2
123.04401	1.4
127.03915	3.1
131.04944	1.4
133.02876	0.8
134.99677	2.0
135.04462	1.1
137.05997	2.8
138.05518	16.3
138.09137	100.0
139.03902	2.5
139.09489	2.6
145.04924	1.9
149.05994	2.8
167.07040	12.7
172.62408	0.8
177.05464	4.5
209.08023	2.8
223.37698	0.9
258.99826	3.4
277.00732	4.6
300.05499	1.4
300.10791	5.5
300.14435	8.8
301.12506	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	301.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.5
67.05492	0.5
68.99804	0.6
69.07080	1.1
69.54037	0.8
69.54341	3.3
73.35210	0.9
74.57554	0.4
74.90755	0.4
76.50352	0.4
78.01072	0.8
79.05505	0.6
81.07050	1.3
91.05476	1.6
93.07012	0.6
94.04192	1.9
95.08590	0.7
96.08964	0.6
98.97565	0.5
103.05531	0.5
105.07009	1.1
107.04943	1.0
109.10220	0.6
119.04912	0.9
121.02859	6.5
137.02354	0.9
137.05974	0.9
149.05954	0.9
152.06255	1.0
153.01840	0.6
153.06989	2.4
154.07761	0.7
157.06477	0.7
157.10051	0.5
157.34245	0.5
165.07040	1.5
168.05688	0.6
169.06416	0.7
170.07262	0.9
181.06473	3.3
182.07135	0.7
183.08099	0.9
184.05205	2.5
187.07526	0.9
188.04686	1.3
193.01283	0.9
195.08159	0.6
197.06003	0.6
198.06773	1.7
209.06093	0.9
211.07480	0.8
212.04646	2.8
213.05415	4.4
213.09113	1.5
225.05528	0.6
226.06207	2.7
229.04921	4.7
230.05696	0.9
240.04201	1.0
240.86412	0.5
241.04863	1.6
241.08546	2.0
242.09433	0.7
251.07111	0.6
257.04434	2.6
258.05228	14.4
259.05585	1.2
285.01221	0.7
285.03891	37.3
286.04684	89.4
287.05038	4.6
301.07077	100.0
301.10623	10.4
302.07419	6.2
302.10733	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0704
Annotation	Sophorafuran A
Peak:m/z	Relative Intensity
53.03952	0.2
55.01865	0.3
55.05506	0.1
55.23798	0.1
65.03933	0.5
67.05486	0.2
68.99789	0.8
69.03418	0.4
70.43436	0.3
77.03913	0.1
79.05490	0.5
81.03410	0.1
81.07053	0.2
82.95272	0.1
83.01334	1.5
83.04975	0.3
91.05473	0.3
95.04959	0.7
97.02892	0.2
103.05448	0.3
103.16724	0.1
105.03387	0.8
105.07016	0.1
107.04947	1.0
111.04449	0.5
111.16966	0.1
115.05439	0.1
117.06959	0.1
117.52297	0.1
119.04900	0.2
119.08620	0.1
121.02857	7.6
121.03888	0.3
122.03183	0.2
123.04411	1.2
125.02345	0.7
128.06204	0.5
129.07004	0.1
131.04886	0.2
131.08603	0.2
133.02852	1.0
133.06427	0.1
134.03665	0.1
135.04434	0.5
137.05904	0.2
139.03929	0.1
141.01804	0.2
141.05472	0.1
141.06932	0.1
143.08549	0.3
145.06474	0.2
147.04398	1.1
149.05960	0.2
151.03902	1.5
152.06252	0.2
153.01904	0.1
153.07001	0.5
155.08504	0.1
157.06421	0.4
159.08066	0.2
161.05952	0.6
163.67923	0.1
165.01831	0.2
165.07013	0.1
167.03387	10.5
168.03741	0.3
168.05653	0.2
169.06494	0.1
171.04387	0.3
171.08002	0.8
174.06740	0.1
175.03856	0.1
175.07574	0.1
177.05489	0.5
179.03378	4.4
180.03883	0.1
181.06419	0.7
183.02940	0.1
183.07950	0.1
184.05173	0.3
185.05962	0.2
189.05424	0.2
189.09200	0.1
197.04448	0.8
197.06026	0.2
198.06744	0.1
199.03888	0.2
199.07544	1.2
201.05547	0.1
203.03375	0.3
208.03630	0.2
209.06027	0.1
211.07501	0.1
213.05411	0.1
217.08580	0.3
225.05463	0.1
226.06267	0.1
227.07019	2.7
228.07370	0.1
229.04828	0.2
230.05820	0.1
231.06442	0.1
237.05417	0.2
243.06412	0.4
245.08080	1.1
254.05730	0.1
255.06535	1.1
257.04510	0.1
257.08096	0.2
258.05219	0.4
263.05469	0.2
271.05890	0.2
272.06741	1.8
273.04639	0.1
273.07513	1.0
283.05902	0.2
285.03928	0.1
286.04599	0.4
299.05524	1.3
300.05914	0.1
301.07034	100.0
302.07379	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	301.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.1
53.03939	0.5
55.01871	0.5
55.05509	0.2
64.89067	0.1
65.03932	0.4
67.05494	0.4
68.99793	1.2
69.03425	0.5
69.19926	0.9
71.04969	0.1
73.45564	0.1
73.77470	0.1
77.03917	0.1
79.05482	0.8
81.03417	0.2
81.07040	0.4
81.16576	0.1
83.01341	1.3
83.04967	0.4
89.03938	0.2
91.05466	0.9
93.03410	0.2
93.07040	0.5
95.04967	0.8
95.08617	0.2
97.02917	0.1
97.06537	0.1
98.22517	0.1
99.04453	0.1
103.05467	1.6
105.03396	0.8
105.04501	0.2
105.07024	0.7
107.04951	2.7
107.08602	0.2
109.02882	0.2
109.06568	0.1
111.04441	0.5
115.05511	0.2
119.04946	0.4
119.08608	0.2
121.02859	7.2
121.03928	0.4
121.06483	0.4
121.10068	0.1
122.03192	0.2
123.04414	1.2
125.02361	0.7
128.06221	0.5
129.07004	0.2
131.04900	0.6
131.08563	0.2
133.02876	0.8
133.06506	0.5
135.04422	0.7
135.11697	0.1
137.02341	0.3
137.05977	1.4
139.03906	0.3
140.04695	0.2
141.07063	0.1
143.08571	0.3
145.06499	0.2
145.10149	0.2
147.04382	1.6
149.02341	0.3
149.05956	0.7
151.03897	1.8
151.07468	0.1
152.06221	0.3
153.06949	0.7
155.08534	0.2
157.06494	0.2
159.11678	0.1
161.05977	0.5
163.03932	0.5
163.07523	0.2
164.04630	0.1
165.01797	0.2
165.06937	0.1
165.09103	0.4
167.03394	10.0
168.03888	0.3
169.06413	0.2
171.04369	0.3
171.08046	1.0
175.03935	0.3
175.07547	0.2
177.05450	3.1
178.05835	0.1
179.03386	4.4
180.03874	0.2
181.05080	0.2
181.06409	0.7
181.34402	0.1
184.05200	0.4
185.05968	0.4
187.07536	0.1
189.05460	0.2
189.09096	0.1
195.06451	0.1
197.04446	0.8
197.06038	0.2
198.06749	0.4
199.03925	0.1
199.07530	1.1
201.05359	0.2
203.03352	0.2
204.83716	0.1
209.05984	0.2
211.07541	0.4
212.04738	0.1
213.05421	0.3
215.07114	0.1
217.04947	0.2
217.08621	0.3
224.44139	0.1
225.05481	0.2
226.06271	0.3
227.07022	2.9
228.07336	0.2
229.04973	0.2
230.05876	0.1
241.08553	0.3
243.06566	0.6
245.08107	0.9
255.06517	1.5
256.07034	0.2
257.08118	0.2
258.05212	0.2
259.09808	0.1
263.05591	0.2
271.06000	0.1
272.06775	2.2
273.07458	0.7
273.11411	0.2
283.06006	0.4
283.09122	0.2
286.04822	0.3
299.05536	1.4
300.06168	0.1
301.07059	100.0
302.07391	5.3
302.10629	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.3
55.01871	0.4
55.05507	0.3
65.03932	0.4
67.05505	0.3
68.99798	1.0
69.02244	0.2
69.02645	1.0
69.03417	0.3
69.07063	0.1
77.79705	0.1
79.01891	0.1
79.05487	0.8
81.03422	0.2
82.04267	0.1
83.01340	1.6
83.04982	0.4
91.05462	0.3
93.03416	0.1
93.07043	0.2
95.01323	0.1
95.04974	0.9
97.02888	0.2
98.22604	0.2
101.58806	0.1
103.05459	0.3
103.29751	0.1
105.03400	1.1
105.04546	0.1
105.07019	0.2
107.04945	1.4
109.02831	0.2
109.94740	0.1
111.04439	0.3
115.57368	0.1
117.07011	0.2
119.04871	0.1
119.08556	0.1
121.02868	8.1
121.03905	0.4
121.06500	0.2
122.03153	0.1
123.04429	1.3
125.02373	0.8
128.06195	0.6
129.06973	0.2
131.04947	0.2
131.08560	0.2
133.02849	1.0
135.04402	0.6
137.02359	0.1
137.05986	0.3
139.03917	0.2
140.04709	0.1
141.01865	0.1
141.06946	0.1
143.08536	0.5
145.06473	0.2
147.04396	1.4
149.02348	0.1
149.06015	0.2
151.03891	1.5
152.06223	0.3
153.07031	0.7
155.06020	0.2
157.06451	0.4
159.04486	0.1
159.07971	0.2
161.02361	0.2
161.05954	0.7
165.01817	0.3
165.07053	0.2
167.03401	11.4
168.03691	0.3
168.05745	0.2
169.06415	0.2
171.04410	0.5
171.08034	1.1
173.06017	0.1
174.06604	0.1
175.04033	0.2
175.07600	0.1
177.05487	0.7
177.06801	0.1
177.09111	0.2
179.03394	5.1
181.05022	0.2
181.06406	0.9
183.02876	0.2
183.07954	0.1
184.05202	0.4
185.05992	0.4
187.07579	0.1
189.05486	0.4
195.08121	0.1
197.04456	0.7
197.05988	0.2
199.07550	1.3
203.03426	0.2
208.03653	0.2
209.05956	0.1
211.07520	0.2
212.04733	0.1
213.05449	0.2
215.06961	0.2
216.07980	0.2
217.08618	0.2
225.05440	0.2
226.06226	0.4
227.07028	3.1
228.07396	0.2
229.04939	0.1
230.05832	0.3
231.06525	0.2
239.07060	0.2
243.06471	0.7
245.08122	1.2
255.06522	1.4
256.06998	0.1
257.08051	0.2
258.05261	0.2
263.05527	0.2
271.06030	0.3
272.06790	2.2
273.07535	1.0
273.11230	0.3
283.05933	0.6
285.04083	0.1
286.04617	0.2
299.05530	1.5
300.06088	0.2
301.07059	100.0
302.03937	0.3
302.07394	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	301.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.2
55.01876	0.4
55.05503	0.4
57.03436	0.2
65.03932	0.5
67.05492	0.3
68.99791	1.1
69.03419	0.4
69.07064	0.2
69.09933	0.8
71.01341	0.1
71.04984	0.2
79.05487	0.6
81.03409	0.2
81.07052	0.3
81.74602	0.1
83.01338	1.1
83.04977	0.3
91.05478	0.4
93.03421	0.1
93.07021	0.3
95.04968	1.0
95.08595	0.2
97.02881	0.3
103.05469	0.4
105.03372	1.0
105.07022	0.4
107.04943	1.2
107.08564	0.2
109.02873	0.1
109.10147	0.2
110.94547	0.1
111.04463	0.5
115.05468	0.1
116.04729	0.1
117.07007	0.1
119.04932	0.2
119.08581	0.3
121.02860	6.7
121.03919	0.4
121.06491	0.3
121.10119	0.2
123.04427	1.1
125.02345	0.6
125.09618	0.1
128.06183	0.5
128.73993	0.1
129.05489	0.2
129.07002	0.2
131.04958	0.3
131.08534	0.2
133.02829	0.5
133.06468	0.1
133.10089	0.1
135.04428	0.5
135.08041	0.1
135.11591	0.1
137.05954	0.3
139.03873	0.3
141.05435	0.1
141.07014	0.1
143.08530	0.4
144.05649	0.1
145.10109	0.2
147.04408	0.8
149.05971	0.4
151.03900	1.8
151.07521	0.1
152.06227	0.3
153.07011	0.5
155.06087	0.1
155.08582	0.1
157.06448	0.3
157.08580	0.1
157.10118	0.2
159.08029	0.1
159.11627	0.1
160.05281	0.1
161.02383	0.2
161.05998	0.1
161.09691	0.1
162.06845	0.1
163.03893	0.2
163.07637	0.1
165.07004	0.2
167.03394	9.4
168.03738	0.3
168.05713	0.1
170.07341	0.1
171.04404	0.2
171.08052	0.9
173.13242	0.1
174.06659	0.1
175.03865	0.1
175.07541	0.1
177.05544	0.6
177.09109	0.2
179.03383	3.4
181.06396	0.7
182.07234	0.1
183.07907	0.1
184.05223	0.5
185.06033	0.2
186.06644	0.1
187.07480	0.1
191.14462	0.1
197.04414	0.5
197.05992	0.1
198.06802	0.2
199.07559	1.0
200.98094	0.1
203.07100	0.2
211.07443	0.2
213.05414	0.2
217.08609	0.2
226.06218	0.2
227.06998	2.6
228.07724	0.1
229.04916	0.2
230.05777	0.1
231.06485	0.2
240.07953	0.1
241.12245	0.1
243.06549	0.5
245.08073	0.9
255.06516	1.2
256.07184	0.2
257.07993	0.2
258.05258	0.2
269.08032	0.1
272.06787	2.0
273.07562	0.8
283.05957	0.4
284.06799	0.1
285.03925	0.2
286.04825	0.4
299.05402	0.2
300.06088	0.1
301.07040	100.0
302.07376	5.3
302.10275	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	301.0706
Annotation	Sophorafuran A
Peak:m/z	Relative Intensity
53.03934	0.4
55.01868	0.4
65.03922	0.3
67.05501	0.3
68.99782	1.2
69.03418	0.2
69.57522	0.5
69.57928	0.4
71.04993	0.2
76.93037	0.2
79.05497	1.0
81.07043	0.7
83.01324	1.2
83.04971	0.5
88.50878	0.2
91.05470	0.5
93.07013	0.3
95.04977	0.8
95.08591	0.2
97.02880	0.2
103.05479	0.3
105.02766	0.2
105.03372	1.0
105.07024	0.5
107.04948	1.5
107.08615	0.3
109.10162	0.3
111.04430	0.5
111.08039	0.2
112.93342	0.2
119.08591	0.4
121.02859	6.1
121.03899	0.5
121.06490	0.2
123.04436	1.1
125.02334	0.7
128.06224	0.5
129.07068	0.3
131.04962	0.4
131.08551	0.3
133.02878	0.6
134.03554	0.2
135.04471	0.3
135.11633	0.2
137.05962	0.3
139.03905	0.3
141.06953	0.2
143.08534	0.5
145.06526	0.2
145.10095	0.4
147.04387	0.8
149.05969	0.4
151.03888	1.9
151.83598	0.2
153.06978	0.5
155.08557	0.3
157.06442	0.3
157.10150	0.2
159.11708	0.2
163.03914	0.2
165.01779	0.2
165.06972	0.3
167.03398	10.0
168.03706	0.3
169.06552	0.2
171.08055	0.8
175.07455	0.2
177.05556	0.9
179.03392	3.4
181.04993	0.2
181.06459	0.7
184.05194	0.4
185.06009	0.5
197.04454	0.6
197.06073	0.2
198.06711	0.4
199.07556	0.9
203.03281	0.2
203.07097	0.2
203.84103	0.2
209.06061	0.2
213.05371	0.4
217.08571	0.4
223.07654	0.2
226.06268	0.4
227.07024	2.2
241.08675	0.2
243.06493	0.4
245.08122	1.0
254.05711	0.2
255.06529	1.1
257.07855	0.2
272.06805	2.5
273.07498	1.1
273.10428	0.2
283.06000	0.4
286.04636	0.3
301.07043	100.0
302.03934	0.3
302.07388	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	301.0706
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
55.05479	0.3
67.05457	0.4
69.22759	1.0
69.23182	1.2
71.53026	0.2
73.35180	0.3
76.09026	0.2
79.05450	0.5
81.06994	0.8
91.05418	0.8
93.06981	0.5
95.08531	0.3
98.22514	0.2
103.05410	0.3
105.06983	0.4
107.08524	0.4
109.10075	0.4
116.98560	0.3
119.04848	0.5
119.93884	0.3
127.07456	0.3
131.08488	0.4
137.05894	0.8
139.03812	0.3
141.06952	0.3
142.07806	0.4
149.05887	0.6
152.06157	0.9
153.01807	1.4
153.06909	1.1
165.06996	1.4
167.08633	0.3
169.06433	0.6
170.07184	0.3
178.47504	0.3
180.05704	0.3
181.06456	1.7
182.07278	0.5
183.04361	0.4
183.08058	0.4
184.04950	0.3
187.07452	0.4
195.08020	0.7
197.05962	0.6
198.06746	1.2
212.08002	0.3
213.09036	1.0
215.06859	0.4
223.07497	0.5
226.06166	1.0
227.06827	0.4
229.04939	2.7
230.05377	0.3
241.08591	1.7
242.09120	0.4
255.06436	0.3
257.04434	1.0
258.05222	45.7
259.05579	1.8
269.04257	0.3
269.07983	0.6
279.65579	0.3
286.04694	56.4
287.05042	2.7
301.07068	100.0
301.10559	6.7
302.07425	5.3
302.10693	0.6
312.37646	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0705
Annotation	Diosmetin
Peak:m/z	Relative Intensity
51.11478	0.1
51.48648	0.1
53.00299	0.1
53.03945	0.3
55.01864	0.4
55.05507	0.2
57.03426	0.2
65.03938	0.4
67.05508	0.4
68.99786	1.1
69.03414	0.4
69.07039	0.2
71.01333	0.1
71.04988	0.1
71.32624	0.2
77.03929	0.1
79.05486	0.8
81.03410	0.4
81.07068	0.4
83.01328	1.3
83.04961	0.3
85.02884	0.1
87.92326	0.1
91.05464	0.6
93.03400	0.2
93.07037	0.4
95.04956	0.8
95.08594	0.4
97.02882	0.3
97.06521	0.1
99.08092	0.1
103.05459	0.8
105.03387	0.8
105.04500	0.1
105.07019	0.4
107.04940	1.9
107.08595	0.3
109.02868	0.1
109.10126	0.2
111.04455	0.5
111.08074	0.1
115.05460	0.2
117.07014	0.2
119.04926	0.4
119.08595	0.3
121.02862	6.3
121.03933	0.3
121.06438	0.4
121.10104	0.2
122.03636	0.1
123.04414	1.1
125.02341	0.3
127.03851	0.1
128.06201	0.4
128.10753	0.1
129.06998	0.2
131.04932	0.6
131.08606	0.2
133.02831	0.6
133.06462	0.2
133.10104	0.2
135.04411	0.5
135.08064	0.1
135.11662	0.1
137.02350	0.1
137.06000	0.4
139.03882	0.5
141.05460	0.2
141.06995	0.2
142.07814	0.1
143.08543	0.4
145.06509	0.1
145.10107	0.3
147.04391	1.1
147.11681	0.1
148.05170	0.1
149.02425	0.1
149.05972	1.0
149.09529	0.1
151.03891	2.2
151.05045	0.2
151.07489	0.1
152.06216	0.4
153.01825	0.3
153.06996	0.8
155.08423	0.1
157.06483	0.4
157.10136	0.2
159.04428	0.1
159.08031	0.2
159.11664	0.1
161.02321	0.1
161.05954	0.2
163.03911	0.3
163.07597	0.1
165.01810	0.2
165.05557	0.1
165.06999	0.3
167.03392	8.7
168.03754	0.2
168.05672	0.2
169.06474	0.1
169.10040	0.1
171.04453	0.1
171.08008	0.9
175.03848	0.2
175.07600	0.2
177.05476	1.8
177.09073	0.1
179.03381	3.5
180.03746	0.1
181.04933	0.5
181.06485	0.9
183.04506	0.1
183.08006	0.2
184.05162	0.5
185.05957	0.4
185.13351	0.1
187.89952	0.1
189.09135	0.2
191.10669	0.1
193.10165	0.1
193.12260	0.1
195.08124	0.1
196.05208	0.1
197.04457	0.4
197.06020	0.2
198.06764	0.4
199.07558	1.0
200.04752	0.1
203.03464	0.1
203.07048	0.2
209.05980	0.3
211.07513	0.3
212.04771	0.1
212.08243	0.1
213.05418	0.2
213.08908	0.1
214.06097	0.1
217.05058	0.1
217.08543	0.3
226.06209	0.4
227.07010	2.2
227.10492	0.1
228.07607	0.1
229.04874	0.5
230.05614	0.2
231.06416	0.1
237.05455	0.1
239.07228	0.1
241.08646	0.4
243.06523	0.3
245.04303	0.1
245.08113	0.8
248.06430	0.1
251.07118	0.2
255.06509	1.1
255.10474	0.2
256.06970	0.2
257.04462	0.2
257.08139	0.2
258.05222	6.7
259.05676	0.3
269.08093	0.3
272.06766	1.9
273.07465	0.8
283.05939	0.3
283.09641	0.4
284.06769	0.1
285.03931	0.3
286.04694	9.1
287.05072	0.6
299.05573	0.1
300.06253	0.1
301.07047	100.0
302.07382	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	301.0916
Annotation	4-(beta-D-Glucosyloxy)benzoate
Peak:m/z	Relative Intensity
55.01873	10.4
61.85623	4.4
66.31670	4.6
67.05469	6.7
68.94162	4.4
68.99781	5.3
69.03421	13.0
70.06575	5.9
71.04993	7.4
71.33231	7.1
79.05470	11.4
81.03408	7.1
81.07007	4.6
85.02918	23.5
87.51176	4.7
90.08562	4.7
91.05492	12.2
93.07043	7.1
95.04978	14.9
95.08598	6.6
97.02881	14.1
107.04916	7.0
109.02908	4.8
121.02854	28.6
121.06490	14.4
123.04419	14.9
131.04965	6.9
131.08562	5.5
135.04399	21.9
137.05969	6.7
139.03896	100.0
140.07036	9.1
145.04912	4.5
147.04424	8.6
149.05952	6.6
151.03883	17.8
159.04469	6.4
161.06032	7.6
163.03899	19.0
163.07442	4.9
167.03349	5.7
169.06459	4.6
177.05467	8.3
181.04929	11.4
182.08186	5.6
187.07524	7.0
191.07004	6.6
209.06084	4.5
212.13126	5.0
213.05501	10.2
227.07028	5.4
247.41730	5.1
255.06311	10.3
273.07700	7.2
283.05923	13.9
301.03366	8.1
301.07086	51.4
301.12076	30.7
301.17200	5.1
301.21460	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	301.107
Annotation	Dehydromelanoxin
Peak:m/z	Relative Intensity
55.01877	1.9
61.89525	1.3
65.03922	2.3
67.05492	3.0
69.07062	2.7
73.55689	1.1
76.26847	1.1
79.05501	2.0
81.07063	3.5
89.03934	4.1
91.05465	7.3
93.07039	3.0
94.50240	1.1
95.04960	1.8
95.08603	3.1
103.05441	2.0
105.07056	2.2
107.04931	1.5
107.08609	2.0
108.02111	1.3
111.04463	1.5
117.03391	4.2
117.06996	1.1
119.08589	2.1
121.06492	4.2
121.10146	2.0
122.03608	1.4
124.05172	1.3
125.05949	1.6
130.93045	1.2
133.10110	1.6
134.03654	4.2
135.04408	2.1
137.05981	16.5
139.03882	1.3
145.10114	1.8
147.11649	2.0
149.05975	84.5
150.06367	3.2
151.03905	19.0
151.05032	2.8
151.07555	1.2
152.06175	5.5
153.05560	2.6
153.07007	14.4
157.10150	1.7
159.11725	1.8
161.06010	1.4
165.06970	5.4
167.08583	2.1
169.06549	3.2
170.07292	3.9
177.05472	100.0
178.05855	3.0
180.05832	1.3
181.06477	20.3
182.07198	2.4
183.08090	1.7
185.09654	1.2
195.08043	4.6
196.05064	1.2
197.05989	4.8
198.06734	6.5
208.05077	1.5
209.05994	9.8
210.06700	1.9
211.03761	1.1
211.07504	3.1
212.04639	1.7
212.08307	1.1
213.09023	8.8
223.07547	2.4
225.05508	2.3
225.09073	1.1
226.06268	8.3
227.07016	3.4
237.05542	4.4
240.07803	2.5
240.79939	1.3
241.08601	12.2
243.06458	1.7
251.07137	2.8
254.05777	4.8
255.06749	1.0
255.10135	2.0
255.21059	3.8
269.08081	38.7
270.08572	3.1
272.10403	1.2
273.11172	16.5
283.09634	3.8
301.03793	1.7
301.07272	3.1
301.10724	53.2
301.14099	6.7
301.21674	4.4
302.10977	2.8
324.97565	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1279
Annotation	Salidroside
Peak:m/z	Relative Intensity
53.03942	4.2
53.28578	2.4
55.01867	6.8
55.05502	2.8
56.93863	2.8
57.03430	6.8
61.02928	9.6
67.05502	9.6
69.03429	20.3
69.07059	3.5
69.10562	20.9
70.06599	3.9
71.01359	5.2
73.02910	5.6
73.49385	2.5
81.03407	12.4
85.02904	100.0
89.03963	2.5
91.03949	7.9
91.05477	13.3
93.07055	9.1
95.04984	9.4
97.02896	23.3
99.04478	3.0
99.15032	2.2
101.53754	2.1
103.03899	3.2
103.05454	10.9
107.04957	2.9
109.02880	7.3
112.07597	9.1
115.03918	2.9
115.05454	7.4
117.07018	9.6
120.07326	2.5
121.06514	83.6
123.04450	4.6
127.03924	20.1
129.07024	9.3
131.04929	6.3
131.08580	9.9
133.06519	7.4
135.04407	5.2
135.08089	4.5
137.06010	4.3
139.03902	21.3
140.07050	13.7
141.07019	11.9
144.05690	6.1
145.04980	26.0
145.06479	10.7
147.04434	3.1
149.06075	3.1
151.03984	4.6
151.07559	6.2
153.06993	6.5
157.06508	14.2
158.07230	3.1
159.04427	2.6
159.08031	25.8
161.05977	4.5
162.06776	3.6
163.02150	3.9
163.03909	4.4
163.07518	6.0
165.07024	3.9
166.07634	2.8
169.06516	5.6
171.08105	3.9
175.07565	18.4
179.07054	8.6
182.08183	5.5
183.08083	5.1
185.06033	4.9
187.07550	61.5
189.09076	4.5
201.09119	5.7
205.08592	21.3
211.07491	4.1
213.05568	3.2
217.08549	5.9
227.06979	2.7
229.08661	11.3
235.09749	7.1
247.09691	9.3
283.05878	4.2
283.39075	2.7
301.03778	4.4
301.07135	9.6
301.12616	85.9
302.13040	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	301.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.6
55.01614	2.2
55.01870	33.5
55.05510	36.8
57.03435	58.7
57.07074	1.3
59.05015	1.1
59.67304	0.9
60.02150	2.0
61.02928	2.3
65.03941	3.6
66.04697	1.0
67.05501	30.1
69.03422	8.5
69.07071	14.9
70.04227	1.6
70.58404	1.4
70.58719	1.5
71.01369	1.1
71.04996	4.2
73.02917	17.7
75.96574	0.9
77.68020	1.0
79.05489	34.2
80.06269	1.6
81.03421	7.3
81.07053	24.1
81.07497	2.0
82.04205	6.5
83.01344	2.2
83.04979	17.5
83.08615	12.7
84.05739	1.4
85.02917	4.4
85.06564	1.6
87.04454	2.5
89.01286	1.0
91.05472	22.9
93.07044	22.7
94.07842	1.5
95.04970	12.3
95.08607	13.6
96.05774	1.2
97.02908	4.0
97.06526	11.3
97.10167	20.6
98.07314	12.3
99.08127	2.5
101.06034	3.6
103.05461	10.1
105.07027	15.3
107.04958	5.5
107.08588	16.5
108.62667	1.0
109.02893	1.4
109.06501	6.0
109.10151	7.2
111.04443	3.4
111.08068	4.9
111.11695	1.2
113.06033	1.4
115.05464	1.3
115.07553	1.6
116.04708	38.6
116.05527	1.9
117.07045	4.8
119.04956	2.2
119.08572	9.8
121.02914	2.3
121.06498	6.3
121.10137	7.3
123.04467	3.1
123.08069	7.6
123.11692	2.4
125.05984	2.0
125.09624	22.4
126.10435	1.6
127.07558	2.1
129.05473	100.0
129.07060	4.3
131.04921	6.6
131.08574	7.0
133.06520	1.0
133.10112	11.4
135.04460	2.5
135.08037	5.4
135.11647	5.8
137.06001	7.3
137.09639	2.6
139.03871	2.3
139.07498	1.1
139.11198	1.3
141.06961	1.0
143.07034	21.6
143.08249	1.9
143.08589	1.5
143.10706	1.8
145.04999	1.5
145.06519	1.4
145.10123	6.3
145.97537	1.1
147.04398	1.8
147.08061	3.2
147.11688	10.7
149.05968	8.8
149.09668	3.6
151.03912	3.9
151.07530	1.6
152.06197	1.4
153.05479	1.0
153.07014	3.2
153.09097	2.2
153.12653	1.0
157.08611	47.3
157.10130	7.7
159.11703	2.3
161.05984	2.3
161.09631	1.5
161.13365	1.1
162.06888	1.0
163.03960	2.3
163.07570	3.3
163.11198	4.7
164.08386	1.2
164.11986	1.7
165.05688	1.1
165.06960	2.5
165.12764	2.1
167.03398	1.6
167.08553	1.7
167.10794	1.0
169.06520	1.5
171.10194	14.6
171.11597	1.9
173.09607	1.2
173.11848	1.3
173.13316	1.2
175.11151	5.6
177.05486	9.8
177.06854	1.6
177.09131	1.9
181.06522	4.2
181.12180	2.2
182.07178	1.3
185.11777	1.9
189.11214	22.9
189.12790	2.1
193.12254	3.6
195.08104	2.0
197.05939	1.3
198.06808	2.6
199.07466	1.5
199.11580	1.8
199.13277	9.1
199.14890	1.4
200.14085	11.2
203.14435	1.7
209.06104	1.1
209.09734	1.6
209.11615	1.8
211.07553	1.5
213.09189	2.5
223.07596	1.3
226.06319	3.7
227.06975	2.1
227.10646	2.1
227.12749	13.9
240.07841	1.6
241.08670	3.3
241.12297	2.1
243.06538	1.6
245.08144	1.9
255.11354	2.2
255.21269	1.4
258.05194	6.0
273.11349	1.9
283.20447	1.9
286.04852	4.0
301.03613	1.6
301.07129	32.2
301.10745	18.5
301.16562	37.5
301.21460	11.6
302.07471	2.9
302.11227	2.8
302.16928	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.8
55.01857	6.7
55.05511	33.9
57.03425	7.7
57.07074	2.1
63.13111	1.8
64.30551	1.9
65.03955	2.2
67.05164	3.5
67.05504	50.8
67.81504	1.8
69.03418	2.3
69.07069	21.5
69.64497	4.2
69.64901	7.9
71.04993	13.4
74.43176	1.9
76.92036	1.8
79.05490	24.5
81.07056	31.6
83.04987	3.0
83.08617	48.0
85.02896	4.4
85.06528	4.0
91.05478	18.8
93.07045	40.4
94.08982	2.0
95.04971	7.5
95.08602	100.0
96.08929	3.5
97.06514	7.1
97.10190	12.2
99.74540	1.8
103.05447	12.1
105.07003	10.4
107.04932	2.8
107.08601	19.5
109.06525	3.3
109.10146	67.7
111.08096	13.6
113.09644	95.6
117.07020	10.0
119.08577	8.7
121.06511	14.9
121.10143	5.8
123.04382	1.8
123.08054	12.7
123.11700	2.2
125.09624	11.0
127.11185	35.6
129.05487	3.8
129.07010	3.0
129.09129	4.4
131.04944	4.9
131.08572	10.0
133.10127	13.5
135.04417	11.4
135.08029	5.9
135.11687	23.2
137.05972	8.3
139.07533	21.0
141.09082	2.7
142.07816	2.1
143.08572	2.1
145.10127	4.1
147.04390	4.4
147.11688	4.6
149.05963	3.8
149.09673	2.3
149.13252	7.4
151.11168	2.7
153.09132	5.1
155.08485	3.4
156.09322	2.1
157.08592	14.4
157.09854	3.7
159.10315	4.2
159.11693	19.8
163.07637	3.3
163.11288	1.8
171.11652	2.1
173.11742	3.2
173.13202	2.6
175.09718	15.2
177.05453	4.5
177.12752	19.0
181.05026	2.7
181.06557	3.1
189.11189	12.1
195.13757	11.1
212.08270	2.1
213.14742	3.7
237.18674	2.4
241.08504	2.9
245.04439	2.4
258.04990	2.0
265.17926	6.1
269.08078	2.6
283.19122	5.4
301.03540	4.2
301.07071	10.1
301.10553	17.2
301.14166	10.3
301.17661	6.5
301.21301	4.5
311.33163	2.0
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	Achaetolide
Peak:m/z	Relative Intensity
53.03938	1.6
55.01880	3.9
55.02100	0.8
55.05509	6.6
57.03439	5.1
67.01859	0.9
67.05157	1.2
67.05499	16.4
68.99765	1.0
69.03419	2.0
69.07062	4.6
71.04982	1.3
71.32686	0.6
71.33049	0.9
73.02903	1.4
79.05487	7.6
81.03419	1.4
81.07055	17.7
83.04972	3.1
83.08615	2.6
85.02916	1.6
91.05470	8.0
93.07026	6.2
94.04179	0.7
95.04961	2.9
95.08597	15.0
97.02905	0.9
97.06512	2.1
97.10155	2.9
101.06019	0.9
103.05457	9.6
105.07021	5.4
107.04955	2.0
107.08569	5.2
109.06498	2.1
109.10151	8.2
111.04463	0.9
111.08079	1.7
111.11713	0.7
116.04704	3.1
117.07015	1.9
119.04946	1.1
119.08598	4.7
121.02852	0.9
121.06506	4.4
121.10130	6.3
123.04451	2.3
123.08052	0.8
123.11703	2.1
124.01553	2.6
125.05992	1.2
125.09626	3.2
129.05475	8.1
129.06978	1.3
131.04916	6.4
131.08568	3.7
133.06429	1.4
133.10136	3.8
135.04399	3.6
135.08043	1.9
135.11674	4.5
135.49084	0.7
137.02385	0.7
137.05980	5.6
137.09601	2.0
137.13219	1.0
139.03961	1.2
139.07480	0.8
139.11113	0.7
141.06964	0.9
143.07005	1.6
143.08568	1.6
145.06487	1.4
145.10120	4.5
146.07181	0.8
147.04430	2.0
147.08066	1.7
147.11671	1.9
148.05157	1.9
149.05983	4.5
149.09607	2.9
149.13286	1.1
151.03906	1.6
151.07562	1.5
151.11151	1.4
151.83350	0.8
152.06223	0.9
153.06940	1.9
155.08592	0.9
157.08604	3.6
157.10100	2.0
159.08012	0.9
159.11690	3.0
161.05981	1.4
161.09653	1.3
161.13214	0.8
162.06699	2.3
163.03920	1.2
163.07555	2.7
163.11177	2.7
164.08340	0.8
165.06976	1.9
167.03331	4.9
169.10130	0.9
171.10194	1.2
171.11642	1.2
173.13269	1.9
175.14885	0.9
177.05534	3.4
177.06828	0.7
177.09073	3.0
181.04987	2.0
181.06499	1.9
181.12241	1.6
185.06001	1.2
189.05431	0.9
189.11246	2.0
191.18039	0.9
195.07997	1.1
197.05917	1.2
199.07512	1.1
201.16376	6.1
203.03413	1.6
203.10764	0.8
211.07524	1.1
212.04700	1.3
212.08238	0.8
213.05426	1.6
213.08945	0.9
219.17401	6.1
223.07565	0.9
225.09059	0.9
226.06334	1.7
227.06941	0.9
229.04810	1.2
237.18465	7.7
240.07695	1.1
241.08534	2.2
247.16953	0.9
258.05231	18.4
258.08011	1.3
259.05695	1.4
265.17886	0.9
269.08206	1.2
273.04025	0.7
273.07538	0.9
273.11084	1.0
283.09747	0.8
283.20218	0.8
286.04712	8.0
286.07910	1.2
301.07056	100.0
301.10577	10.8
301.14252	8.3
301.21564	5.2
302.07385	7.6
320.43372	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	301.216
Annotation	Angustanoic acid A
Peak:m/z	Relative Intensity
53.03941	2.4
55.05503	4.1
55.44155	1.0
57.07066	1.5
64.02768	0.9
65.03941	1.6
67.05499	13.4
69.07051	6.0
69.46653	4.4
75.81467	0.9
79.05482	15.6
80.33710	1.1
81.07053	88.8
82.07391	1.2
83.08608	2.6
91.05472	13.6
93.07038	20.0
95.04954	2.0
95.08601	29.3
95.09203	1.5
97.10162	4.3
98.22607	1.3
101.68099	0.9
103.05495	1.2
105.07024	94.5
106.07346	2.1
107.08586	20.9
109.10146	20.2
115.07523	1.2
117.07014	2.8
119.08578	33.6
121.06476	1.1
121.10146	12.0
123.11703	4.9
125.09586	1.2
129.06989	2.7
130.07758	1.5
131.08572	13.8
133.09172	1.5
133.10130	16.9
135.08076	1.2
135.11621	5.0
137.05978	1.3
139.11226	1.2
141.07016	1.7
142.07820	1.3
143.08565	12.9
145.10110	33.5
146.02466	1.2
147.11679	20.9
149.05887	1.6
149.13254	3.1
151.11258	1.4
152.06235	1.5
153.07030	2.4
155.08492	1.7
157.10143	11.2
159.11678	29.2
161.13249	27.4
163.03928	1.0
163.14868	2.1
165.06921	1.4
165.09065	1.2
167.10617	1.3
169.10112	1.6
170.07220	1.0
171.11687	7.9
173.13248	18.9
175.14838	11.1
177.05473	3.4
179.10655	3.0
181.06485	3.8
183.11708	3.7
185.13312	5.0
187.14845	2.8
191.10579	1.5
193.12189	5.0
195.08044	1.7
197.06021	1.3
198.06746	2.5
199.14793	28.6
200.15154	1.4
201.16537	1.1
205.12198	6.7
207.13792	8.4
207.55212	1.0
211.07422	1.5
213.16353	7.7
219.13857	4.0
221.15385	8.9
225.16396	1.9
226.06125	1.8
227.17940	11.5
241.08594	2.1
241.19502	1.1
245.15375	3.1
255.21063	100.0
256.21402	5.6
258.26846	1.2
265.19406	2.7
269.07779	1.0
273.18472	5.7
273.21262	1.0
283.20575	11.8
301.07034	2.8
301.10684	13.7
301.14246	3.2
301.21594	86.2
302.21915	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	301.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02914	1.7
53.74753	1.7
55.01861	5.9
55.05511	30.3
57.07064	7.5
67.05503	45.7
69.06705	2.3
69.07068	34.4
71.05016	5.2
74.06078	4.6
79.05491	28.8
81.07050	61.6
82.07359	2.1
83.04974	10.3
83.08617	24.7
85.06520	4.8
88.07629	11.4
91.05475	11.8
93.07040	37.0
95.08601	81.3
96.08912	2.4
97.06509	12.6
97.10154	7.8
98.22511	4.7
98.94889	2.0
99.08095	2.1
104.83802	2.0
105.07030	8.5
107.08581	20.3
109.06539	3.1
109.10150	39.2
111.08083	4.9
111.11714	3.1
119.08564	8.4
121.10121	31.2
123.08080	2.3
123.11684	14.3
125.09627	2.6
131.08551	7.6
133.10135	12.8
135.11691	8.4
137.09639	4.0
137.13272	3.2
139.11169	12.3
145.10138	9.7
147.11687	4.6
149.09590	4.1
149.13257	6.4
151.11160	2.8
159.10533	2.1
159.11617	9.8
167.10687	2.8
173.13278	5.0
187.13332	3.9
187.14897	2.9
195.13861	3.3
197.05965	2.5
201.14838	2.6
203.12801	2.6
215.18015	13.7
233.18991	30.6
242.24631	3.0
251.20045	100.0
252.20326	7.8
269.21017	17.4
270.21378	3.1
301.07001	2.3
301.10593	6.4
301.14063	3.1
301.18103	2.2
301.21655	6.0
301.24924	2.2
301.29114	2.3
302.26831	14.3
302.30438	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	302.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00077	2.7
53.03942	6.8
55.01867	7.5
55.05513	18.1
55.25328	2.9
57.03428	10.3
59.90509	2.7
61.02943	3.2
61.46249	2.8
63.97421	2.4
64.86565	2.8
65.03919	3.8
67.05514	22.9
67.79069	2.4
69.03432	22.5
69.07067	8.7
70.06591	78.0
71.05004	7.8
71.30791	6.0
72.08156	28.9
79.05511	12.5
81.03420	15.3
81.07053	10.2
82.06581	26.8
83.07381	5.9
84.08128	4.0
84.87617	3.1
85.02898	82.4
86.09711	7.0
87.04469	4.8
88.45955	3.1
91.05477	8.2
93.07063	6.2
94.06564	4.4
95.04955	14.4
95.08614	13.5
96.04520	3.4
97.02889	43.0
97.06522	5.3
99.04472	9.8
103.03986	3.7
103.05482	4.7
105.45138	3.0
107.04966	4.4
108.08102	15.0
109.02895	18.5
109.06548	5.0
111.04473	4.7
112.07605	50.3
119.04940	5.5
121.02869	4.2
121.06513	5.9
122.06033	10.2
122.09665	3.8
123.04440	18.7
123.08038	4.3
124.07595	13.7
124.11243	7.0
125.06003	8.9
126.05503	6.4
126.09148	3.9
127.03902	17.2
128.07069	63.3
131.04926	4.2
133.02855	4.1
135.04411	8.7
135.08055	3.0
136.07549	17.4
137.05995	8.7
139.03911	15.2
140.07069	62.9
140.10663	6.1
141.05489	4.4
141.09145	4.9
141.11482	9.7
142.08647	7.2
143.11803	12.1
145.04953	11.6
147.04422	10.0
149.06033	4.7
150.06325	3.5
150.09149	4.3
151.03894	25.5
152.07080	19.8
153.05441	2.9
154.08621	3.9
157.13431	3.6
158.08170	6.4
158.11758	100.0
161.05980	4.3
162.05528	10.5
163.03960	9.4
164.07028	21.0
165.05580	3.5
169.06551	3.8
171.11334	10.6
173.05931	3.6
177.05402	3.4
178.05928	3.5
178.08611	14.8
181.06487	4.2
182.08136	87.7
188.09250	7.3
197.05994	3.6
201.01883	4.5
206.08101	36.1
211.07491	9.0
216.97768	3.0
229.05063	4.3
236.09178	4.8
239.07021	3.3
241.09807	4.6
242.10468	13.9
243.06482	4.4
248.09193	7.5
256.12140	8.0
256.15408	9.5
271.09720	3.9
275.01801	5.2
284.06085	6.6
284.11462	11.5
285.07809	4.6
288.09897	3.7
302.07410	7.8
302.11646	24.2
302.15991	35.3
302.19644	93.0
303.01370	28.1
303.05017	48.4
303.08713	17.9
303.13620	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	302.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
55.01858	0.9
57.03441	0.8
61.02924	2.1
64.83333	0.6
64.91566	0.6
65.03938	1.5
67.05504	29.1
69.03429	4.5
69.44881	2.6
69.45282	1.5
70.06592	14.3
71.00295	0.7
71.04974	0.9
79.05486	2.3
81.03398	2.2
82.06596	1.8
84.08125	1.1
85.02901	6.2
91.05485	1.0
94.06565	28.6
95.04959	2.3
96.04461	0.8
97.02895	3.2
98.97562	1.8
104.04129	0.8
107.04971	0.9
109.02868	2.6
110.06020	3.1
112.07598	8.1
116.07071	0.8
116.98614	0.8
119.01995	1.0
121.08528	0.7
122.06030	100.0
123.04431	2.1
123.06382	2.5
124.07597	1.9
127.03907	1.9
130.12303	4.6
131.04909	0.9
135.04393	0.7
137.05972	0.8
138.09117	1.4
140.07069	21.0
140.08112	1.1
141.05339	1.9
145.04967	1.1
150.06317	0.9
151.03900	1.7
152.07117	1.9
153.05292	0.8
154.94220	1.0
158.08095	4.6
163.03967	0.9
167.07040	2.7
168.07402	4.1
173.02336	1.5
178.05840	2.2
190.96249	0.6
201.01781	3.2
201.06133	1.2
203.05203	1.7
210.08301	1.4
228.09564	0.8
229.01352	3.0
247.02370	2.8
257.00885	3.7
259.02554	1.0
261.03040	1.3
275.01874	3.8
284.11115	1.0
285.00232	3.5
300.40344	0.7
302.00919	1.1
302.12790	3.3
303.01385	23.6
303.05017	1.7
303.10669	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	302.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.4
55.01875	3.4
57.03433	5.7
61.02930	9.6
67.32996	1.1
68.99786	2.5
69.03430	18.7
70.06591	2.2
71.04991	4.0
73.02909	3.3
79.05470	1.6
81.03416	8.7
85.02905	100.0
86.03284	1.2
87.04473	1.8
91.03961	6.2
91.25798	1.2
93.07040	1.3
95.04974	2.7
95.08648	1.5
97.02895	24.1
98.23408	2.4
99.04453	4.9
102.51101	1.2
103.05460	1.8
105.07021	10.4
109.02888	10.3
115.03931	1.1
118.83852	1.2
119.92974	1.2
121.02893	1.5
123.04433	2.8
127.03907	20.3
130.08632	1.5
131.04930	1.3
135.04398	1.5
137.02336	5.8
145.04961	40.9
147.07973	1.4
149.05946	3.3
150.06396	2.3
151.03906	1.5
153.01814	8.4
155.04903	1.3
161.05974	1.5
163.03917	2.6
163.06017	11.1
165.01802	3.9
167.03491	2.1
177.05487	1.2
180.08693	2.4
183.02792	1.5
201.05484	3.3
229.05048	6.3
257.04486	4.0
274.11609	2.0
285.03839	2.2
302.03946	1.6
302.07886	1.2
302.11118	5.6
303.04977	63.8
303.08490	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	303.0132
Annotation	Ellagic acid
Peak:m/z	Relative Intensity
53.03931	0.1
59.02756	0.1
60.41465	0.1
61.43090	0.1
64.93985	0.1
65.03918	0.2
67.05482	0.2
68.99784	0.2
69.07053	0.3
70.65137	0.2
75.02385	0.1
79.05464	0.3
81.03395	0.2
89.03905	0.9
91.05475	1.1
92.04999	0.2
94.06541	0.3
95.04923	0.1
96.04479	0.1
101.03927	0.1
103.05437	0.3
105.03401	0.2
106.06552	0.3
107.04987	0.4
107.05613	0.1
107.07365	0.1
110.06028	1.0
111.04376	0.2
114.63732	0.1
116.04980	0.2
117.03369	1.3
119.04914	0.6
120.04447	1.9
121.02840	0.1
122.06030	0.4
123.04397	0.4
124.01526	0.1
124.07588	0.6
129.03352	0.5
131.01372	0.1
131.04897	0.1
133.02832	0.2
134.05960	0.6
135.04419	0.5
137.05951	0.5
138.05540	0.1
139.03897	0.1
140.07039	0.9
141.07872	0.7
142.08620	2.1
144.04401	0.2
145.02824	2.6
146.03078	0.1
146.65729	0.1
147.04396	1.6
149.02353	0.2
151.03911	0.5
153.01820	0.4
154.08582	0.1
155.01294	0.1
157.02859	1.3
161.02367	0.2
162.05482	13.8
163.03896	1.5
163.05905	0.4
164.07057	0.1
165.05417	0.1
167.03380	2.1
173.02322	5.8
174.02733	0.3
175.03888	1.3
175.80537	0.1
177.01836	0.3
183.00725	0.8
185.02309	1.1
189.01790	0.4
191.03384	2.1
201.01804	13.1
202.02092	0.5
203.03348	1.8
205.01271	0.3
207.02859	0.6
211.00224	0.2
213.01837	1.7
216.10149	0.1
217.01329	1.2
219.02863	2.1
229.01297	10.0
230.01634	0.4
231.02823	2.0
233.00919	0.2
235.02254	0.2
241.01277	1.3
243.11255	0.2
244.09572	0.2
244.69910	0.1
247.02353	8.7
248.02751	0.5
257.00775	22.4
258.01086	1.2
258.11212	0.3
259.02353	3.0
261.12241	0.8
275.01828	17.6
276.02264	0.8
279.13358	0.2
285.00262	15.7
285.12430	0.2
286.00745	1.4
286.10614	0.3
303.01318	100.0
303.12738	1.2
304.01648	5.7
304.04742	0.1
320.04254	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.2
53.89696	0.1
55.00174	0.1
55.01870	0.5
56.19403	0.1
65.03947	0.7
65.25872	0.1
67.01859	0.4
67.05495	0.3
68.73785	0.1
68.95171	0.1
68.99793	2.4
69.03416	0.3
71.32537	0.2
79.05489	0.4
81.03405	1.0
81.07035	0.2
91.05473	0.4
93.03414	0.8
93.07051	0.3
95.04960	1.1
95.08598	0.6
97.02893	0.2
103.05463	0.7
105.03387	0.2
105.07008	0.4
107.01324	0.2
107.04938	0.4
109.02875	1.2
109.06464	0.2
110.03687	0.2
111.00801	2.1
111.04434	0.2
115.05450	0.5
117.06998	0.6
119.04923	0.2
119.08610	0.2
121.02065	0.1
121.02865	2.6
121.06506	0.3
123.04443	1.6
123.08044	0.1
127.03900	0.6
128.06212	0.3
131.04910	0.9
133.02872	0.2
133.06458	0.3
135.04434	0.6
137.02342	9.2
137.03436	0.7
137.05962	0.6
138.02666	0.2
139.03902	0.4
143.04951	0.4
145.06459	0.9
145.10196	0.1
147.04424	0.4
149.02347	0.9
149.05952	0.7
151.03943	1.1
151.07547	0.2
153.01820	12.0
154.02199	0.4
155.04906	1.3
155.06024	0.2
159.04434	0.4
161.05986	1.3
161.09682	0.2
163.03897	1.5
163.07536	0.4
165.01834	4.1
165.07053	0.3
166.02640	0.8
168.05605	0.1
173.02289	0.3
173.05972	1.7
177.01839	0.3
177.05396	0.3
179.03386	0.5
179.06972	0.2
183.02866	1.9
183.04424	1.3
183.08012	0.2
187.03889	1.3
191.03383	0.4
191.07030	0.3
195.02899	0.6
199.07544	0.2
201.05460	4.9
202.05763	0.2
205.04991	0.3
207.02943	0.3
211.03894	0.4
211.07619	0.2
213.05455	0.4
215.03404	0.4
219.02965	0.3
219.06512	0.5
225.09058	0.1
228.04185	0.7
229.04953	10.8
230.05339	0.5
239.03351	0.5
243.10146	0.2
245.04366	0.2
246.05252	0.2
247.06013	1.6
257.04434	5.8
258.05057	0.3
271.09613	0.2
273.11157	0.2
274.04770	1.4
275.05344	0.4
285.03937	2.8
285.11163	0.4
286.04431	0.3
303.04965	100.0
304.05310	5.6
304.08777	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19759	0.2
53.03949	0.2
55.01865	0.4
65.03932	0.6
66.94734	0.2
67.01845	0.4
67.05497	0.4
68.99776	1.9
69.03439	0.2
69.38335	0.2
70.31821	0.3
70.32172	0.3
71.85081	0.2
79.05480	0.3
81.03401	0.5
81.07053	0.5
91.05470	0.8
93.03400	0.7
93.07037	0.5
95.04941	0.8
95.08628	0.3
103.05430	0.4
105.03374	0.4
105.07017	0.5
107.04901	0.3
107.08574	0.2
109.02888	1.0
110.03654	0.3
111.00794	1.8
111.04426	0.3
115.05447	0.3
117.07005	0.7
119.04928	0.4
119.08578	0.5
121.02855	2.3
121.06457	0.2
121.10161	0.3
123.04432	1.4
127.03918	0.4
129.06949	0.2
131.04942	0.5
131.08597	0.2
133.06430	0.3
133.10147	0.2
135.04390	0.7
137.02335	7.0
137.03354	0.4
137.05972	0.7
138.06737	0.2
139.03954	0.3
145.06482	0.7
145.10115	0.2
147.04379	0.8
149.02332	0.8
149.05962	0.4
151.03873	1.1
151.07556	0.3
153.01811	9.7
153.05534	0.3
153.06851	0.3
155.04906	1.0
155.05969	0.2
155.08600	0.3
157.06465	0.2
157.10089	0.2
159.04347	0.2
159.11725	0.4
161.05966	0.8
161.13310	0.2
163.03937	1.2
163.07515	0.3
165.01810	3.5
165.05659	0.2
165.06998	0.6
166.02582	0.5
166.98141	0.2
167.07095	0.2
170.19023	0.2
173.05952	1.7
173.13225	0.3
175.07419	0.2
177.05382	0.3
179.03374	0.6
179.06958	0.3
179.08444	0.2
181.10217	0.2
183.02870	1.9
183.04393	1.0
183.08060	0.3
183.11755	0.2
185.05853	0.2
187.03795	0.9
191.03432	0.5
191.06934	0.2
195.02844	0.4
196.05374	0.2
201.05449	4.6
205.04883	0.4
207.02855	0.3
211.03874	0.5
211.07515	0.9
213.05447	0.5
219.00748	0.2
219.02837	0.3
219.06531	0.5
227.06883	0.3
228.04095	0.7
229.04944	8.7
230.05394	0.4
239.03371	0.4
239.06964	0.4
239.17883	0.5
243.10146	0.7
247.06055	1.4
257.04431	5.0
257.08167	0.4
257.18961	0.4
258.04745	0.3
271.09726	0.9
274.04681	1.2
275.05298	0.4
285.03909	2.4
285.11139	0.5
285.18576	0.9
303.04950	100.0
303.23163	0.6
304.05301	5.9
304.08774	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0498
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.43738	0.2
55.01865	0.5
65.03929	0.7
67.01859	0.7
67.05509	0.4
68.99780	2.7
69.02549	2.5
69.02975	0.5
69.03426	0.4
79.05461	0.4
81.03403	0.7
81.07058	0.3
91.05467	0.8
93.03387	0.4
93.07042	0.4
95.04962	0.9
95.08575	0.7
99.06955	0.2
103.05431	0.3
105.03362	0.4
105.07043	0.5
107.04948	0.4
107.08572	0.5
109.02881	1.4
111.00797	1.9
111.04440	0.3
115.05408	0.4
117.07027	0.8
119.04942	0.5
121.02866	2.1
123.04411	1.2
127.03901	0.5
127.61288	0.3
131.04921	0.7
135.04387	0.7
135.08037	0.3
137.01274	0.4
137.02338	9.2
137.05962	0.5
140.32425	0.2
145.02861	0.4
145.06470	1.0
145.10040	0.3
149.02367	0.9
151.03909	0.5
151.07539	0.3
153.01816	11.6
153.03061	0.6
155.04897	1.2
157.06493	0.4
159.04425	0.5
161.05988	0.8
163.03882	1.8
163.07520	0.4
165.01833	5.0
165.03194	0.5
165.06972	0.6
166.02599	0.9
173.05913	1.7
176.02251	0.3
179.03377	0.5
179.07071	0.3
183.02879	2.0
183.04411	0.9
183.08043	0.5
187.03896	1.1
191.03433	0.3
195.02904	0.7
201.05455	5.1
205.04973	0.6
211.03992	0.6
211.07542	0.5
213.05580	0.3
215.03314	0.3
219.03258	0.3
219.06517	0.6
228.04207	0.8
229.04961	10.4
230.05249	0.4
239.03520	0.3
239.06961	0.4
245.04512	0.4
247.06090	1.4
257.04456	6.2
257.19009	0.3
260.08429	0.3
274.04688	1.7
285.03958	2.2
303.04956	100.0
304.05328	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	303.0499
Annotation	HIERACIN
Peak:m/z	Relative Intensity
50.68515	0.2
52.43833	0.2
52.74442	0.2
53.03944	0.7
55.01873	0.5
55.05508	3.0
55.18018	0.2
57.03433	0.2
57.07067	0.5
57.89505	0.2
59.04990	0.3
65.03926	1.1
67.01861	0.5
67.05505	2.5
68.99790	2.6
69.03432	1.1
69.07065	2.9
69.28220	1.0
69.28629	0.7
71.04991	0.7
79.05491	2.2
79.88942	0.2
81.03405	1.1
81.07053	5.7
83.01337	0.4
83.04973	1.2
83.08624	1.0
85.06551	0.6
89.03938	0.6
90.38280	0.2
91.05474	3.2
93.03413	0.9
93.07047	3.9
95.04973	2.1
95.08608	4.3
97.06553	0.4
97.10183	1.3
99.08076	0.3
103.05463	0.9
105.03413	0.3
105.07030	8.5
107.04957	1.2
107.08595	3.9
109.02895	1.0
109.06528	0.8
109.10155	2.9
110.03648	0.3
111.00806	2.1
111.04444	0.6
111.08087	0.6
111.11683	0.3
115.05445	0.4
117.03364	1.1
117.07026	1.2
119.04947	0.4
119.08585	6.9
121.02873	2.6
121.06507	0.8
121.10139	2.7
123.04434	2.6
123.08055	0.5
123.11731	1.0
125.09659	0.3
127.03889	0.4
128.06267	0.3
129.07004	0.5
131.04919	1.0
131.08556	1.7
133.06535	0.3
133.10123	3.7
135.04408	2.4
135.08072	0.7
135.11679	1.6
137.02344	7.6
137.03375	0.4
137.05974	1.0
137.09601	0.4
137.13248	0.4
139.03912	0.7
139.11221	0.2
143.08586	0.7
145.02861	1.0
145.06499	0.7
145.10135	3.0
146.10773	0.3
147.04420	0.9
147.11684	7.0
148.08867	0.2
148.11900	0.3
149.02303	1.1
149.05994	0.6
149.09641	0.7
149.13257	0.7
151.03896	1.5
151.07451	0.3
151.11188	0.5
153.01822	10.6
153.05511	0.2
155.04903	1.2
155.08568	0.4
157.06555	0.4
157.10097	0.4
159.04390	0.4
159.11674	2.5
161.05946	1.6
161.09619	0.5
161.13274	3.0
163.03908	7.8
163.07478	0.4
163.11261	1.1
163.14764	0.4
165.01845	4.0
165.05602	0.4
165.06978	0.5
165.12784	0.4
166.02574	0.4
167.03404	9.7
168.03772	0.3
169.06499	0.2
169.10143	0.4
171.11678	0.6
173.05969	2.0
173.13264	1.1
175.11140	0.6
175.14870	0.5
177.05405	0.4
177.12791	0.4
179.03375	0.3
179.07018	0.3
183.02888	1.5
183.04449	1.0
183.08138	0.4
183.11749	0.4
185.04427	0.4
185.13280	0.5
187.03947	0.9
187.14830	0.8
189.16391	0.4
193.04977	0.5
197.13257	0.3
199.14972	0.7
201.05476	4.3
201.12703	0.5
201.16376	0.5
205.05042	0.5
207.02910	0.3
211.07658	0.3
211.14799	0.4
213.16470	0.5
215.18073	0.3
217.15904	0.3
219.06531	0.7
225.09152	0.3
227.17955	0.5
228.04245	0.7
229.04974	10.1
229.19505	0.4
230.05237	0.5
233.04468	0.3
239.17810	1.1
247.06096	1.1
247.17108	0.2
257.04428	5.0
257.07397	0.3
257.08276	0.2
257.19080	1.5
257.22537	0.5
258.04855	0.5
267.21088	0.6
271.09589	0.3
274.04678	1.2
275.05463	0.5
275.23581	0.5
285.03958	2.2
285.07013	0.4
285.11310	0.4
285.18573	0.7
285.22150	1.6
303.05008	100.0
303.08441	8.6
303.23163	24.9
304.05289	5.8
304.08527	0.2
304.23514	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0496
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03931	0.2
55.01863	0.3
65.03927	0.7
67.01863	0.3
67.05495	0.2
68.99784	2.8
69.03431	0.3
69.10612	0.7
69.11045	0.7
69.22674	0.1
71.01334	0.2
81.03422	1.0
82.32807	0.1
92.02009	0.1
93.03390	0.5
95.04954	1.0
103.05433	0.3
105.03391	0.3
107.04946	0.3
109.02856	1.1
109.06504	0.2
110.03619	0.2
111.00794	2.2
111.04391	0.1
115.05437	0.3
117.06982	0.5
121.02859	2.3
123.04445	0.8
127.03919	0.4
129.06955	0.3
131.04915	0.6
133.02780	0.2
133.06470	0.2
135.04388	0.6
137.02339	8.2
137.03424	0.3
138.02600	0.2
140.09789	0.1
143.26053	0.2
145.02849	0.2
145.06465	0.9
147.04306	0.1
149.02359	0.9
153.01813	11.0
154.02235	0.2
155.04892	1.3
155.06029	0.3
157.06496	0.2
159.04407	0.4
161.05992	0.8
163.03920	1.4
165.01826	3.6
166.02637	0.7
173.06007	1.6
173.51312	0.1
176.79366	0.1
177.01823	0.2
177.05460	0.3
179.03401	0.5
180.26714	0.1
183.02859	1.5
183.04410	1.1
185.05893	0.2
187.03865	1.0
191.03442	0.3
191.06975	0.3
194.01958	0.2
195.02834	0.6
201.05453	5.5
203.03395	0.2
205.04987	0.6
207.02849	0.2
211.03925	0.4
213.05447	0.4
215.03334	0.3
219.02934	0.3
219.06525	0.6
228.04181	0.8
229.04942	10.3
230.05298	0.5
239.03348	0.5
245.04448	0.2
247.06046	1.1
257.04416	5.6
258.04938	0.3
274.04694	1.6
275.05508	0.6
285.03931	2.9
286.04581	0.3
303.04956	100.0
304.05286	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	303.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.2
55.01880	0.4
65.03938	0.8
67.01874	0.4
67.05500	0.3
68.61206	0.1
68.99427	0.2
68.99789	2.6
69.03422	0.3
69.83902	0.3
71.01352	0.2
72.36409	0.1
79.05472	0.1
81.03413	0.9
83.01360	0.1
85.02882	0.1
91.05472	0.2
92.02625	0.1
93.03415	0.8
95.04968	0.9
95.08598	0.1
97.02888	0.1
97.73571	0.1
98.22653	0.1
103.05466	0.2
105.03382	0.2
105.07014	0.2
107.01307	0.1
107.04940	0.3
109.02874	1.3
110.03669	0.2
111.00801	2.5
111.04459	0.1
115.05446	0.3
117.07019	0.4
118.47646	0.1
119.04951	0.1
121.02868	2.3
121.03781	0.1
123.04433	0.9
126.03043	0.1
127.03907	0.7
128.06236	0.1
129.06992	0.2
131.04922	0.4
132.05353	0.1
133.02867	0.2
133.06456	0.2
135.04433	0.7
137.02347	8.7
137.03439	0.7
138.02686	0.1
139.03941	0.1
143.04904	0.2
145.02844	0.3
145.06482	0.8
146.06908	0.1
147.04439	0.2
149.02335	1.0
149.05893	0.1
151.03889	0.2
153.01823	11.8
154.02161	0.3
155.04919	1.4
155.06059	0.2
155.55415	0.1
157.06421	0.2
159.04405	0.4
160.05168	0.1
161.05974	0.7
163.03899	1.5
165.01843	4.2
166.02620	0.6
167.03265	0.1
173.02374	0.2
173.05986	1.8
173.35825	0.1
177.01817	0.2
177.05478	0.4
178.02649	0.1
179.03375	0.5
183.02878	1.8
183.04428	1.1
184.05150	0.1
185.05949	0.2
187.03888	1.3
189.05466	0.1
191.03409	0.4
191.07033	0.2
193.05037	0.1
195.02852	0.6
200.04668	0.1
201.05457	4.7
202.05775	0.2
203.03452	0.2
205.04965	0.5
207.02946	0.3
211.03897	0.4
213.05479	0.3
215.03372	0.3
219.02942	0.3
219.06491	0.7
228.04202	0.6
229.04955	10.2
230.05287	0.4
232.03650	0.2
233.04369	0.2
239.03419	0.6
245.04419	0.2
246.05286	0.2
247.06001	1.6
256.03699	0.1
257.04440	6.0
258.04886	0.3
261.04025	0.1
267.02808	0.1
274.04745	1.6
275.05380	0.4
285.03937	2.7
286.04449	0.2
303.04965	100.0
304.05301	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	303.0498
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03940	0.3
55.01867	0.4
65.03928	0.6
67.01862	0.4
67.05501	0.3
68.99426	0.2
68.99791	3.3
69.03433	0.4
69.68224	0.4
69.68631	0.3
81.03391	0.8
84.88573	0.1
93.03425	0.7
95.04977	1.0
98.22660	0.2
99.85504	0.1
103.05457	0.3
103.52126	0.1
105.03407	0.3
107.01275	0.2
107.04988	0.3
109.02865	1.3
110.03634	0.2
111.00800	2.4
111.04449	0.1
115.05468	0.3
115.77288	0.1
117.06998	0.6
121.02875	2.5
123.04453	0.8
126.10639	0.1
127.03928	0.6
127.05475	0.2
129.07013	0.2
131.04889	0.6
133.02791	0.2
133.06505	0.2
135.04414	0.6
137.02347	9.3
137.03455	0.6
139.08717	0.1
145.02797	0.1
145.06502	1.1
147.61728	0.1
149.02338	1.0
149.06003	0.2
151.04013	0.1
153.01825	12.3
154.02141	0.4
155.04904	1.2
155.06027	0.3
157.06514	0.2
159.04344	0.2
161.05994	1.0
163.03906	1.4
165.01840	4.5
166.02559	0.6
171.02977	0.2
173.05995	1.8
174.06299	0.1
177.01848	0.2
177.05418	0.3
179.03416	0.5
183.02887	1.8
183.04425	1.1
187.03841	1.0
191.03416	0.6
191.07065	0.3
195.02908	0.5
201.05469	5.4
205.04935	0.4
207.02919	0.3
211.03931	0.2
211.07571	0.2
213.05479	0.4
215.03273	0.2
217.04965	0.2
219.03117	0.2
219.06526	0.6
228.04216	0.7
229.04967	10.0
230.05377	0.4
233.04572	0.2
239.03352	0.6
245.04536	0.2
246.05243	0.2
247.06068	1.3
257.04446	5.8
258.04883	0.3
261.04041	0.2
274.04721	1.6
275.05481	0.3
285.03912	2.4
303.04968	100.0
304.05316	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	303.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57750	0.1
53.03939	0.2
55.01863	0.4
65.03939	0.7
66.01067	0.1
67.01855	0.3
67.05498	0.4
68.99786	2.5
69.03421	0.3
69.30049	0.2
69.30460	0.5
71.01371	0.1
77.03930	0.1
77.47438	0.1
79.05446	0.1
81.03413	1.0
81.07034	0.2
85.02887	0.1
85.16438	0.1
91.05483	0.2
93.03409	1.0
95.04964	1.1
95.08604	0.4
96.02145	0.1
97.02901	0.1
103.05451	0.2
105.03384	0.4
105.04479	0.1
105.07026	0.2
107.01325	0.1
107.04929	0.3
109.02886	1.4
109.06493	0.1
110.03673	0.2
111.00074	0.2
111.00795	2.3
111.04414	0.2
115.05437	0.3
117.03376	0.1
117.07033	0.4
119.04925	0.2
121.02861	2.7
121.06503	0.2
123.04406	1.2
123.08066	0.3
127.03922	0.6
128.06207	0.2
129.06976	0.3
130.28972	0.1
131.04918	0.6
133.02821	0.2
133.06505	0.2
135.04395	0.7
137.02335	8.7
137.05936	0.2
138.02708	0.2
139.03880	0.1
141.06990	0.1
143.04904	0.1
145.02855	0.2
145.06476	1.0
147.04396	0.3
149.02332	1.0
151.03902	0.4
153.01816	12.4
154.02168	0.2
155.04897	1.3
155.06036	0.2
157.06477	0.3
159.04395	0.3
161.05986	0.8
162.05496	0.1
163.03893	1.9
165.01820	4.0
166.02644	0.6
167.03394	1.9
173.02338	0.1
173.05969	1.8
176.04709	0.1
177.01845	0.2
177.05472	0.3
179.03329	0.6
183.02863	1.6
183.04419	1.2
183.08061	0.1
184.05096	0.1
185.05963	0.1
187.03847	1.2
187.05341	0.1
191.03392	0.4
191.07013	0.3
193.04906	0.1
194.02310	0.1
195.02858	0.6
201.01765	0.2
201.05458	4.9
202.05757	0.2
203.03352	0.1
205.05009	0.5
207.02792	0.1
211.03824	0.5
211.07550	0.1
213.05469	0.3
215.03409	0.4
217.05017	0.1
219.02902	0.3
219.06491	0.6
228.04219	0.7
229.04944	10.4
230.05334	0.5
231.02940	0.2
232.03658	0.2
233.04425	0.1
239.03351	0.3
245.04387	0.2
246.05290	0.2
247.02382	0.1
247.06021	1.4
257.00943	0.2
257.04425	6.1
258.04776	0.4
258.11295	0.1
259.02356	0.1
261.03882	0.1
267.02994	0.1
267.17493	0.1
271.09753	0.1
274.04749	1.5
275.02051	0.2
275.05405	0.4
285.00500	0.2
285.03888	2.4
285.18567	0.3
286.04590	0.2
303.04953	100.0
304.05295	5.6
304.08112	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.4
55.01869	0.5
55.05502	0.6
57.07074	0.2
65.03938	0.7
67.01867	0.3
67.05502	1.0
68.41255	0.1
68.99785	2.5
69.03422	0.4
69.07064	0.5
71.01331	0.2
71.05013	0.2
79.05484	0.5
81.03416	0.8
81.07059	1.1
83.04990	0.5
83.08597	0.2
85.06545	0.1
91.05483	0.7
93.03410	0.8
93.07039	1.0
95.04969	1.2
95.08598	1.3
97.02901	0.3
97.06513	0.1
99.08080	0.2
103.05455	0.4
105.03406	0.4
105.07027	1.7
107.04934	0.7
107.08588	1.2
109.02880	1.0
109.06517	0.3
109.10152	0.6
110.03604	0.1
111.00807	2.5
111.04440	0.3
115.05475	0.3
117.07030	0.6
119.04975	0.2
119.08566	1.3
121.02867	2.6
121.06517	0.2
121.10115	0.8
123.04424	1.4
123.08058	0.3
123.11667	0.2
125.09629	0.2
127.03933	0.7
129.06970	0.2
131.04904	0.7
131.08565	0.3
133.06474	0.3
133.10104	0.8
135.04395	1.1
135.07988	0.2
135.11678	0.5
137.02345	8.6
137.03426	0.5
137.05936	0.3
137.09576	0.2
139.03902	0.3
143.04848	0.2
145.02866	0.2
145.06480	0.9
145.10124	0.6
147.04404	0.4
147.11690	1.1
149.02336	0.9
149.06007	0.3
149.13225	0.2
151.03909	0.9
151.11157	0.2
153.01823	11.7
154.02220	0.3
155.04893	1.1
155.06096	0.3
155.08635	0.2
157.06479	0.2
159.04378	0.4
159.11702	0.4
161.05981	1.0
161.13248	0.5
163.03899	2.1
163.07593	0.2
163.11218	0.2
165.01837	5.0
166.02635	0.6
167.03418	1.0
171.11722	0.2
173.05986	2.0
173.13231	0.3
175.14899	0.2
177.01837	0.2
177.05463	0.3
179.03377	0.3
179.07098	0.1
183.02875	1.7
183.04428	1.0
183.08058	0.2
184.04999	0.2
187.03854	1.0
187.14868	0.2
191.03337	0.4
193.04951	0.2
195.02853	0.5
199.14792	0.2
201.05460	5.2
202.05824	0.3
205.01414	0.2
205.04967	0.5
207.02849	0.2
211.03929	0.3
213.05486	0.3
215.03369	0.3
217.04991	0.2
219.03052	0.3
219.06584	0.6
228.04114	0.9
229.04961	11.1
229.08659	0.4
229.19444	0.1
230.05324	0.4
232.03568	0.2
233.04453	0.2
239.03394	0.5
245.04521	0.1
246.05275	0.2
247.06038	1.2
257.04434	5.4
257.08267	0.3
257.22549	0.2
258.04968	0.3
267.21082	0.3
274.04730	1.5
275.05331	0.4
285.03955	2.6
285.07263	0.2
285.11044	0.2
285.22058	0.4
286.04492	0.4
303.04971	100.0
303.23056	2.3
304.05319	5.3
304.08835	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.3
55.01858	0.5
55.21011	0.1
65.03938	0.7
67.01863	0.4
67.05507	0.6
67.99794	0.1
68.99792	2.5
69.03417	0.5
69.07068	0.1
69.48312	0.6
71.01341	0.2
71.05007	0.2
79.05488	0.4
81.03416	1.0
81.07050	0.2
85.02896	0.3
85.04550	0.1
89.03940	0.1
91.05482	0.5
93.03400	0.6
93.07050	0.3
94.06565	0.2
95.04956	1.2
95.08604	0.8
97.06564	0.1
103.05465	1.8
105.03397	0.2
105.04549	0.2
105.07014	0.6
106.06544	0.1
107.04966	1.0
109.02879	1.4
109.06483	0.1
109.23768	0.1
110.03672	0.2
110.06038	0.5
111.00802	2.0
111.04413	0.2
115.05459	0.5
117.06987	0.4
119.82390	0.1
120.04491	1.1
121.02863	2.6
121.06470	0.6
122.06006	0.2
123.04433	1.4
123.08067	0.4
124.07565	0.3
127.03912	0.4
128.06204	0.2
129.06993	0.3
131.04915	1.7
133.02844	0.2
133.06467	0.4
134.06018	0.3
135.04402	1.0
137.02350	8.4
137.03452	0.6
137.05963	1.6
139.03958	0.2
139.05405	0.2
140.07088	0.9
141.07849	0.5
142.08638	1.4
143.04921	0.7
145.02826	0.2
145.06509	0.9
147.04384	0.3
148.05190	0.2
149.02348	0.8
149.05997	1.8
151.03905	0.5
151.07530	0.2
153.01825	11.6
153.05434	0.3
154.02142	0.3
155.04915	1.1
155.05997	0.2
157.06483	0.3
159.04330	0.2
161.05991	2.2
162.05495	8.0
163.03923	2.0
163.05858	0.3
163.07527	0.5
165.01848	3.9
166.02666	0.6
167.03416	1.0
169.01402	0.2
169.06398	0.2
173.05980	1.7
175.07550	0.2
177.01903	0.2
177.05481	0.3
179.03380	0.4
179.06996	0.4
179.08542	0.2
183.02879	1.6
183.04417	1.0
183.08177	0.1
185.06042	0.2
187.03893	1.4
191.03407	0.5
191.07062	0.3
195.02921	0.5
197.09772	0.1
200.04646	0.2
201.05470	4.6
201.07309	0.3
202.05966	0.2
203.03488	0.1
205.04965	0.6
207.02914	0.3
207.08109	0.2
209.04349	0.2
211.03929	0.4
211.07515	0.3
213.05463	0.4
215.03378	0.2
219.02887	0.3
219.06496	0.5
225.09108	0.1
228.04231	0.8
229.04967	10.2
229.08253	0.6
230.05333	0.6
233.04478	0.2
235.07556	0.4
239.03523	0.3
245.04524	0.2
247.06036	1.4
252.07718	0.1
253.08502	0.2
257.04449	5.6
258.05008	0.3
258.11288	0.3
261.12329	0.4
267.10162	0.4
273.11169	0.8
274.04764	1.4
275.05420	0.5
285.00919	0.1
285.03983	2.6
285.07190	0.3
285.11154	1.2
286.11023	0.3
303.04974	100.0
304.05310	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	303.084
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35539	3.1
56.96566	6.2
59.38302	3.1
68.10245	3.2
69.85129	3.5
70.06588	15.2
70.77088	6.8
72.18394	3.6
73.13706	3.3
81.03378	4.8
85.02911	5.8
95.04946	6.9
97.02892	4.0
98.97594	19.6
110.97575	4.6
116.98579	6.3
123.04409	6.7
141.05434	10.1
151.03899	5.4
153.01839	14.8
158.99689	5.3
161.02927	3.6
165.01872	4.0
167.07028	4.5
173.02441	10.1
177.00746	6.8
201.01888	13.5
201.06219	4.4
213.01721	3.7
219.01828	4.8
225.67451	3.8
229.01382	5.3
231.02684	4.0
247.02327	12.1
257.00821	22.5
257.03308	3.9
261.02963	10.1
262.03238	7.2
275.01880	19.9
285.00305	16.2
303.01367	100.0
303.04889	7.5
303.10883	60.3
304.01724	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	303.0861
Annotation	5,2',3'-Trihydroxy-7-methoxyflavanone
Peak:m/z	Relative Intensity
51.02362	0.2
53.03936	0.5
55.01873	1.0
55.05507	0.2
57.47179	0.3
59.31701	0.2
65.03941	0.7
67.01846	0.6
67.05497	0.9
68.99783	3.0
69.03423	0.5
71.01350	0.3
71.04984	0.5
71.32323	0.3
77.03930	0.3
79.05495	1.1
81.03408	0.9
81.07051	0.5
83.04977	0.3
89.03920	1.5
91.05466	0.8
93.03391	0.7
95.04961	1.8
95.08578	0.3
97.02856	0.6
99.04451	0.9
103.05466	0.5
105.03356	0.3
105.07026	1.0
107.04934	1.0
109.02866	0.7
109.06522	0.3
111.00797	0.6
111.04428	2.0
112.23339	0.2
117.03371	2.8
117.06990	0.4
119.04932	0.6
121.02856	1.0
121.06493	0.5
123.04424	11.7
124.01572	2.7
125.02332	0.3
125.05986	0.5
127.03854	0.4
131.04915	0.8
133.02875	0.2
133.06523	0.3
133.10100	0.5
135.04398	4.9
135.11601	0.2
137.02336	2.8
137.05975	1.9
139.03868	1.9
141.05444	0.8
141.06909	0.4
145.02843	3.0
147.04399	0.6
147.11702	0.3
149.02365	0.4
149.05930	0.5
151.03908	1.2
151.07510	0.6
152.01027	3.5
152.26564	0.2
153.01817	3.6
153.02910	0.4
153.05460	4.4
153.06783	0.5
155.04913	0.4
155.08524	0.3
157.06439	0.4
161.05991	0.7
163.03893	16.7
163.07596	0.6
164.04216	0.5
165.01859	1.1
165.05466	1.2
165.06990	1.0
167.03383	100.0
168.03725	3.0
168.05087	0.3
168.05734	0.3
169.06541	0.5
170.02069	3.5
171.07999	0.3
173.06007	0.7
175.07539	0.3
177.05478	0.5
181.05013	0.3
181.06490	0.3
182.07207	0.3
183.02899	0.5
183.04381	0.5
183.08035	0.8
185.04448	0.5
185.06001	1.0
187.03922	0.4
191.32256	0.2
193.05003	0.3
193.06514	0.3
197.05974	0.5
199.07480	0.2
201.01715	0.5
201.05423	1.7
211.03969	0.3
211.07526	0.9
212.08046	0.3
215.06975	0.3
219.02875	0.3
225.05519	0.2
225.09068	0.5
227.06920	0.2
229.01303	0.4
229.04979	2.9
233.07954	0.3
239.07062	0.5
243.06625	0.4
243.10168	0.7
247.05933	0.3
253.04970	0.3
257.00803	0.7
257.04443	1.6
257.08069	0.5
259.05954	0.5
261.07568	0.6
271.09583	1.2
274.04794	0.3
275.01749	0.6
285.00424	0.4
285.03952	0.7
285.07584	1.9
285.10648	0.2
285.12042	0.3
303.01321	3.0
303.04941	28.4
303.08578	40.9
304.02188	0.3
304.05289	1.2
304.08878	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	303.0861
Annotation	5,2',3'-Trihydroxy-7-methoxyflavanone
Peak:m/z	Relative Intensity
50.87164	0.2
51.02378	0.3
51.45415	0.2
53.03929	0.7
55.01869	1.2
55.76444	0.3
65.03916	0.7
67.01842	0.5
67.05488	1.0
68.99781	3.6
69.03407	0.8
69.07066	0.2
69.57431	0.8
69.57844	0.8
70.06577	0.3
71.04996	0.3
77.03924	0.3
78.35625	0.2
78.45967	0.2
79.05476	1.3
81.03395	1.1
81.07040	0.6
83.04977	0.4
89.03887	1.5
91.05466	1.0
93.03392	0.7
93.07010	0.5
94.04118	0.2
95.01387	0.2
95.04955	1.1
95.08603	0.9
97.02857	0.4
99.04439	0.9
103.05441	0.5
105.03369	0.5
105.07037	0.4
107.04964	1.7
109.02851	0.4
111.00776	0.7
111.04433	1.6
115.05436	0.3
117.03378	2.6
119.04913	0.8
119.08578	0.3
121.02851	1.0
121.06464	0.3
123.04416	12.6
124.01561	3.0
124.04713	0.5
125.05975	0.6
127.03916	0.5
128.06229	0.2
131.04913	0.7
133.06493	0.4
133.10101	0.6
135.04401	5.2
137.02327	3.7
137.05949	2.4
137.38382	0.2
139.03903	1.2
141.05429	0.5
141.06958	0.4
143.08466	0.2
145.02826	2.9
145.06400	0.7
147.04343	0.7
149.02272	0.4
149.05951	0.7
151.03854	1.1
151.07491	0.7
152.01024	4.1
152.06212	0.3
153.01813	4.1
153.04344	0.5
153.05461	4.8
153.06813	0.3
155.04881	0.4
155.08626	0.5
161.06018	0.3
163.03893	17.1
163.07484	0.4
164.04202	0.5
165.01814	0.9
165.05420	1.2
165.06963	1.1
167.03378	100.0
168.03729	2.9
168.05235	0.3
170.02083	3.1
173.02519	0.3
173.05945	0.6
176.41286	0.3
177.05481	0.7
179.03429	0.3
179.07069	0.5
181.04906	0.5
181.06415	0.4
182.07239	0.4
183.02911	0.6
183.04343	0.5
183.08009	0.9
185.05960	0.7
187.03758	0.5
193.04924	0.6
197.05980	0.7
197.09456	0.3
199.07645	0.2
201.01831	0.5
201.05417	2.0
211.03915	0.5
211.07558	1.3
213.05374	0.5
215.07115	0.3
219.06412	0.3
225.09055	0.3
228.04204	0.4
228.07790	0.3
229.04927	3.2
230.05414	0.3
239.07021	0.8
243.10173	1.0
247.02266	0.3
247.06006	0.6
253.05098	0.3
253.08507	0.3
257.00824	0.4
257.04398	1.3
257.08090	0.5
259.05991	0.4
261.07544	1.1
271.06735	0.3
271.09567	1.6
274.04706	0.4
275.01840	0.4
285.00656	0.3
285.03955	0.8
285.07532	1.9
285.12262	0.4
303.01312	3.1
303.04944	31.2
303.08585	40.1
304.05289	1.9
304.08914	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1225
Annotation	Sequirin C
Peak:m/z	Relative Intensity
51.02372	0.4
53.03947	0.8
55.01868	1.5
56.77856	0.3
65.00255	0.3
65.03934	1.0
67.01861	0.7
67.05497	0.8
68.99791	2.5
69.03408	0.7
69.28376	1.3
69.28785	0.8
79.05501	3.1
79.73891	0.3
81.03413	1.1
81.07054	0.4
83.01370	0.4
91.05483	1.8
93.03394	1.1
93.07041	1.2
94.04184	0.4
95.04964	2.2
95.08617	0.6
97.02866	0.4
98.22569	0.6
103.05465	21.0
105.03362	0.5
105.04509	0.7
105.07034	4.5
106.07413	0.3
107.04957	5.3
109.02863	1.2
109.06528	1.0
110.03670	0.3
111.00802	2.2
111.04424	0.4
115.05447	4.7
117.07011	0.9
119.04929	1.1
121.02859	2.6
121.05620	0.4
121.06496	6.7
122.03655	1.5
123.04424	6.3
125.06033	0.4
127.03913	0.5
131.04921	14.6
133.06467	2.5
135.04424	2.1
135.08041	0.8
137.02350	7.8
137.03368	0.4
137.05972	14.4
143.04918	5.7
145.02808	0.5
145.06476	1.6
147.04398	0.6
148.05188	3.9
149.02321	0.9
149.05971	18.8
151.03906	3.5
151.07504	0.3
152.06174	0.3
153.01826	11.2
153.05428	2.4
153.06607	0.4
154.02196	0.4
155.04900	1.1
155.08502	0.4
159.04385	0.3
159.05544	0.3
161.05972	18.4
162.06361	0.6
163.03909	5.4
163.07544	5.6
164.08313	1.8
165.01842	3.8
165.07004	0.8
166.02547	0.8
167.03398	6.8
167.08598	0.8
173.05954	2.1
175.07564	0.5
177.01936	0.4
177.05476	0.3
178.07761	0.7
179.03522	0.4
179.07025	2.2
179.08568	2.5
181.04976	0.5
181.06479	0.8
183.02870	1.9
183.04414	1.1
183.08067	0.5
187.03917	1.0
191.07030	0.4
195.02901	0.3
195.07974	1.1
196.08817	0.4
197.05940	0.5
197.09583	0.6
198.06825	0.3
201.05470	4.6
202.05891	0.5
205.05058	0.3
207.02942	0.3
207.08015	2.1
209.04387	0.9
210.06847	0.5
211.03917	0.7
211.07567	0.8
213.05473	0.7
213.09024	0.4
219.02954	0.3
219.06499	0.6
223.07507	0.6
224.08356	1.4
225.05341	0.3
225.09073	1.7
227.06908	0.6
228.04276	0.7
229.04982	9.8
229.08473	3.2
230.05347	0.8
235.07529	3.8
236.07957	0.4
239.03462	0.6
239.10649	2.0
241.05095	0.4
241.08571	0.5
247.06000	1.6
249.09016	0.4
252.07745	1.1
253.08452	1.8
255.10152	0.4
256.07339	0.8
257.04401	4.9
257.08054	2.3
257.11743	0.7
258.05008	0.3
258.08704	0.6
267.10141	4.2
270.08826	0.5
273.11185	8.3
274.04724	1.2
274.11658	0.6
275.05643	0.4
285.04251	2.4
285.07791	1.0
285.11185	14.7
286.11536	1.0
303.04971	100.0
303.12006	5.6
304.05292	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	303.1226
Annotation	CHEBI:70191
Peak:m/z	Relative Intensity
53.03941	2.8
55.01868	5.8
58.78913	0.6
65.03933	2.1
67.01858	0.8
67.05477	0.9
69.03433	2.3
69.92102	3.8
77.03923	1.9
79.05046	0.9
79.05495	12.9
81.03391	0.8
81.07043	2.1
89.03919	0.7
91.05481	9.3
92.06190	0.6
93.03395	2.1
93.07055	4.8
94.04182	3.3
95.04985	5.5
95.05498	1.0
102.04691	0.7
103.05468	100.0
104.05769	1.7
105.04516	1.6
105.07029	20.6
107.04956	9.4
109.02837	0.9
109.06499	3.4
111.00772	0.7
111.04446	0.9
115.05459	22.8
117.07014	2.2
119.04916	1.6
121.02845	1.1
121.06507	31.5
122.03640	7.3
123.04431	25.7
125.06050	0.9
131.04929	59.4
132.05417	0.9
133.06483	10.5
135.04414	3.2
135.05362	0.7
135.08075	3.3
135.70976	0.7
137.02396	1.4
137.05977	64.4
138.06267	1.8
143.04930	27.4
143.06059	1.5
144.08537	0.7
145.06480	2.3
147.04387	1.6
148.05194	15.8
148.06375	0.9
149.05981	87.3
150.06252	3.4
151.03914	10.4
151.07527	2.4
152.06226	1.7
153.01791	1.9
153.05469	12.0
153.06721	1.5
159.05516	0.8
161.05978	82.7
162.06294	2.3
163.07544	30.2
164.08353	8.6
165.06963	0.9
166.07832	0.7
167.08611	4.7
169.06520	0.9
169.10120	1.0
173.05930	1.0
175.07570	3.3
177.07121	1.0
178.07787	3.5
179.07050	14.4
179.08601	9.9
181.06471	3.4
182.07327	1.7
184.78296	0.7
189.06873	1.6
195.08081	7.6
196.08832	4.4
197.05966	1.9
197.09610	3.0
198.06712	0.9
201.05426	1.1
201.90854	0.8
207.08018	8.3
210.06744	1.9
211.07550	2.9
211.11237	0.9
213.05560	1.0
213.09157	0.9
221.09692	0.9
223.07530	3.6
224.08325	7.4
225.05504	1.5
225.09108	9.5
226.06194	1.0
227.06993	2.1
229.05026	1.7
235.07549	19.3
238.06166	1.1
239.10626	8.8
240.07973	0.8
241.05038	1.0
241.08676	2.2
242.09447	1.1
242.71060	0.9
249.09010	1.3
252.07849	3.4
253.08578	9.6
254.09225	1.0
255.06653	1.4
255.10155	1.5
256.07330	1.6
257.04468	1.1
257.11725	2.1
258.08884	2.3
267.10172	22.1
268.10571	1.2
270.08917	2.6
270.34537	0.8
273.11209	40.1
274.11591	1.7
285.11212	68.2
286.11517	4.0
303.04984	19.3
303.12250	19.9
304.12622	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31514	0.2
53.03925	0.3
54.06393	0.4
55.01856	0.4
64.60136	0.2
65.03918	0.9
67.01845	0.2
67.05488	0.7
68.99774	0.6
69.03410	0.2
69.05991	1.5
69.06399	0.4
69.07073	1.5
79.05491	1.5
81.03383	0.2
81.07029	0.5
82.06543	0.8
89.03912	1.6
91.05476	1.4
92.04967	0.9
93.07016	0.2
94.06547	2.0
95.04949	0.4
96.04478	0.4
96.08123	0.3
98.06033	0.5
103.05435	0.3
105.03350	0.2
106.06525	1.8
107.04936	1.4
107.07346	0.5
108.08115	0.3
109.06488	0.4
110.06034	6.3
112.07611	1.4
113.32415	0.2
115.05407	0.2
116.04977	1.1
117.03374	1.0
117.05723	0.4
119.04926	0.7
120.04457	13.5
121.02832	0.6
122.06005	3.3
123.04436	1.7
123.06776	0.2
124.06759	0.3
124.07587	4.5
129.03346	0.4
133.02884	0.2
133.05179	0.2
134.05028	0.3
134.06001	4.3
135.04405	1.1
136.07523	0.5
137.05951	0.8
138.05476	0.7
139.03871	0.6
140.05988	0.4
140.07048	7.0
141.06808	0.4
141.07841	6.2
142.08624	16.1
143.08926	0.4
144.04427	1.3
145.02849	1.9
145.06418	0.2
146.05978	0.5
147.04387	1.9
147.59503	0.2
149.02370	0.3
151.03909	1.6
153.01825	0.7
154.08617	1.6
157.02853	1.0
162.05487	100.0
163.03918	1.4
163.05881	3.3
164.07019	1.2
165.05382	0.3
167.03398	3.2
169.01315	0.9
171.07935	0.3
173.02327	3.9
173.05975	0.3
174.02628	0.3
175.03883	0.9
177.01802	0.3
177.05293	0.3
181.05023	0.3
183.00783	0.4
185.02357	0.7
188.06926	0.2
188.10751	0.3
191.03346	1.8
198.09032	0.2
201.01805	8.7
201.05618	0.3
202.02170	0.3
203.03325	1.4
207.06468	0.2
213.01817	1.1
213.60725	0.2
216.06642	0.4
216.10184	1.6
217.01393	0.8
217.13330	0.4
219.02884	1.1
229.01297	6.5
229.04843	0.5
229.71431	0.2
230.01717	0.5
230.08133	0.7
231.02899	1.6
240.10153	0.3
241.01268	1.1
243.06628	0.3
243.11320	1.3
243.23830	0.2
244.09660	0.9
247.02379	6.1
257.00784	14.9
258.01102	1.0
258.11264	3.1
259.02386	1.9
261.12314	6.9
262.12686	0.4
271.09601	0.4
275.01834	13.2
276.02246	0.8
279.13373	2.9
285.00266	11.4
285.07416	0.5
285.12274	1.7
286.00818	1.0
286.10693	2.5
303.01379	81.0
303.04922	12.2
303.08649	1.9
303.13290	9.7
304.01688	5.4
304.05179	0.5
304.13644	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.01867	1.1
55.05498	1.2
57.03428	1.0
60.04527	0.4
61.02925	0.7
65.03926	0.7
67.05496	1.3
68.99788	0.7
69.03425	2.3
69.07072	2.6
70.05718	0.3
70.06583	1.2
71.04978	0.5
71.06924	0.3
71.08617	0.8
71.10799	0.3
71.11149	0.3
73.06549	1.3
78.04716	2.0
79.05498	1.9
81.03418	1.3
81.07050	1.2
83.04972	0.9
84.04514	0.4
85.02907	3.9
86.02439	0.3
89.03928	0.3
91.05477	1.9
93.03391	0.4
93.07041	1.8
95.04970	1.8
95.08601	1.3
97.02888	3.3
97.06541	0.8
98.09675	1.3
98.15659	0.3
99.04474	0.4
101.06016	1.3
103.03952	0.3
103.05478	1.4
105.03403	0.4
105.07024	1.3
106.04171	1.0
107.04950	2.1
107.08565	0.3
109.02872	1.5
111.00816	0.4
111.04441	0.5
113.05971	0.4
113.07932	0.4
114.09174	1.3
115.05461	0.5
117.07005	0.4
119.04924	1.5
121.02844	0.7
121.06512	2.2
123.04436	11.4
123.08022	0.6
124.05199	1.2
127.03918	1.7
129.06987	0.3
131.04916	0.5
133.06494	1.2
134.03575	0.4
135.04411	1.7
135.08052	0.4
136.07530	0.5
137.02345	2.5
137.05956	2.2
138.09166	0.4
139.03893	2.1
140.07068	0.4
141.05453	1.0
141.09123	0.5
142.08636	5.2
144.10178	2.1
145.02800	0.4
145.04973	0.3
145.06496	0.5
147.03450	0.3
147.04449	3.0
149.05968	3.4
151.03915	8.4
151.07570	0.6
152.04668	1.6
153.01839	2.3
153.05481	1.1
159.04478	0.4
161.05942	1.5
162.05492	0.6
162.22261	0.3
163.03931	1.8
164.07115	0.7
165.01849	1.0
165.05476	1.8
165.06818	0.6
166.06241	0.7
167.07037	100.0
168.07393	2.3
172.38408	0.3
173.02344	0.9
173.05971	0.9
177.05620	0.3
179.07059	0.6
181.04941	0.9
181.08585	3.2
183.02902	0.4
183.08008	0.3
184.09700	2.9
191.03433	0.9
192.06593	0.5
193.05029	0.4
193.08588	3.5
201.01852	1.6
201.05498	0.9
203.03465	0.4
205.31354	0.3
208.09657	0.5
209.07959	0.4
211.07733	0.7
211.09682	3.4
219.02966	0.7
227.09135	0.8
229.01387	1.8
229.04950	1.6
229.10739	0.5
242.05637	0.3
247.02432	2.1
250.10794	0.7
257.00735	1.7
257.04486	1.2
257.08075	0.6
259.02335	0.3
267.11215	0.4
271.09741	0.4
275.01865	2.3
285.00513	1.6
285.03723	0.6
285.07553	0.9
285.12292	0.9
289.78998	0.3
303.01334	14.6
303.04993	20.7
303.08533	2.9
303.13889	8.2
304.01645	0.9
304.05310	1.4
304.08524	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
55.01862	0.8
55.05497	0.4
57.03427	0.7
61.02927	0.4
65.03939	0.5
67.01857	0.3
67.05491	0.8
68.75122	0.1
68.99790	1.5
69.03419	0.7
70.06599	0.3
70.48331	0.5
71.05001	0.2
73.06542	0.3
77.03909	0.2
78.04709	1.6
79.05489	1.4
81.03413	0.9
81.07061	0.4
83.01344	0.2
83.04967	0.2
85.02888	0.5
86.06096	0.2
91.05485	1.6
93.03416	0.9
93.07050	1.3
95.04984	1.5
95.08627	0.2
96.05262	0.2
97.02892	0.6
99.04401	0.3
101.06017	0.4
103.05474	1.2
105.03391	0.3
105.04511	0.4
105.07024	1.3
106.04166	1.0
107.04964	2.1
109.02837	0.9
109.06486	0.2
111.00816	1.1
111.04437	0.3
115.05463	0.5
117.07002	0.4
119.04981	1.1
121.02888	1.5
121.06505	2.0
122.03673	0.4
123.04427	8.6
124.05276	1.5
124.07706	0.2
127.03892	0.6
131.04936	0.4
131.06200	0.2
133.06505	1.8
134.03593	0.3
135.04430	1.0
137.02345	4.9
137.03333	0.2
137.05959	2.0
139.03917	1.2
140.07092	0.3
141.05444	0.6
142.08632	0.4
143.04977	0.2
145.02840	0.2
145.06532	0.4
147.04408	1.9
149.02335	0.6
149.05975	2.8
151.03906	6.9
151.07515	0.4
152.04688	1.5
153.01830	4.9
153.05472	0.6
155.04921	0.6
155.06053	0.2
161.05991	1.7
163.03899	1.3
165.01846	1.8
165.05537	1.3
165.06726	0.3
166.02542	0.4
166.06192	0.6
167.07034	100.0
168.07367	2.8
171.02898	0.2
173.02295	0.2
173.05946	1.1
177.05493	0.2
179.03297	0.3
179.07066	0.6
181.04962	0.5
181.06825	0.2
181.08560	2.3
183.02895	1.0
183.04417	0.6
187.03940	0.5
191.03389	0.3
193.05009	0.4
193.08592	3.0
194.08794	0.2
195.02913	0.2
201.01869	0.5
201.05426	2.5
205.04977	0.2
209.08063	0.4
211.07709	0.4
211.09656	3.1
219.03069	0.4
219.06427	0.2
227.09193	0.6
228.04167	0.5
229.01447	0.3
229.04953	4.9
229.10826	0.4
230.05273	0.3
239.03386	0.3
247.02415	0.4
247.06180	0.4
257.00839	0.6
257.04468	2.6
258.04837	0.2
274.04697	0.7
275.01883	0.4
285.00494	0.4
285.03940	1.2
285.07379	0.4
303.01492	3.3
303.04977	50.2
303.08450	3.4
304.01974	0.4
304.05316	3.0
304.08752	0.3
321.09927	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	6.7
55.05495	2.8
56.05026	2.9
56.68088	1.0
60.05622	1.8
66.50449	1.0
67.05499	2.2
70.06585	10.9
71.04987	72.9
71.31764	1.0
72.08151	1.2
80.04998	1.3
82.06560	1.3
84.04490	2.8
85.14428	1.0
86.06051	1.7
88.07624	1.5
89.30168	1.0
91.05518	1.2
92.43688	1.1
95.04937	1.3
96.04514	1.5
98.06050	53.5
99.04449	45.9
99.06333	1.3
109.05249	1.2
110.06011	4.4
111.06756	1.8
112.07645	1.3
114.05508	3.6
115.08678	3.5
116.07083	30.2
124.07590	3.6
125.04756	1.7
125.05905	1.3
126.05474	1.2
130.09724	1.1
137.04790	1.3
137.05948	1.0
138.05469	7.4
140.07094	5.8
142.08649	5.4
148.07541	3.9
152.07037	6.1
154.08635	1.5
157.09677	1.6
158.09325	1.3
162.05547	1.2
162.09067	1.8
163.06245	1.9
166.08588	2.1
170.08090	2.9
175.11896	3.2
176.07034	11.5
177.07794	1.2
178.08560	5.2
180.06494	1.1
185.09207	2.9
186.11203	1.4
188.09192	14.2
190.08607	4.5
194.08067	2.6
200.07126	1.7
200.98216	1.7
203.13832	1.8
204.06529	2.1
206.08093	1.2
208.09532	2.0
210.11342	1.1
218.08118	10.2
219.08607	1.2
220.09592	2.5
235.08444	2.3
235.10745	21.4
236.09123	2.3
238.10722	6.2
239.11201	1.4
250.10718	11.4
257.00613	1.5
257.14935	2.3
267.13358	1.6
275.01822	1.5
285.14545	5.0
303.01151	8.8
303.15454	100.0
304.15811	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	303.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90631	1.2
55.01869	6.6
55.05501	3.8
55.64739	1.3
56.05042	2.1
60.05643	2.2
70.06593	21.9
70.74280	3.1
71.04987	74.8
72.08136	2.8
77.42274	1.4
81.03384	2.1
82.06555	2.3
84.04478	3.0
86.06056	1.6
88.07594	2.8
90.57557	1.2
94.06577	1.4
96.04472	1.7
97.06517	1.8
98.06049	55.0
99.04446	44.1
108.04494	1.7
109.06497	1.7
110.06042	5.4
112.07589	1.7
112.08670	2.2
113.07172	1.7
114.05513	2.9
115.08733	2.2
116.07077	37.5
124.07600	2.1
125.04796	1.4
125.05933	2.4
126.05518	1.7
130.04993	2.3
130.09697	1.9
138.05493	7.6
138.09103	1.7
139.03900	1.7
140.07071	5.5
142.08617	3.6
147.04370	1.6
148.07559	4.4
152.07065	6.8
157.09676	1.7
158.09128	2.4
162.05426	3.1
162.09070	2.4
163.06326	1.7
164.06987	1.9
170.08105	2.7
170.88388	1.4
175.11914	7.8
176.07048	13.4
178.08624	5.2
185.09164	3.9
188.09151	15.3
190.08632	6.1
194.08047	2.8
200.98282	3.3
201.01863	2.7
203.13853	2.0
204.06638	1.4
206.08026	2.3
208.09680	2.3
218.08127	11.9
219.08484	1.8
220.09734	1.8
222.30197	1.3
235.08366	2.4
235.10727	20.0
236.09009	1.5
238.10657	5.7
247.41338	1.4
250.10684	10.2
257.00864	3.1
257.14999	2.1
275.01825	3.2
285.00418	2.3
285.14392	5.3
286.14609	1.6
303.01321	18.8
303.04642	2.5
303.15427	100.0
304.16226	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	303.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	7.3
55.05510	2.8
56.05034	2.6
56.96568	7.4
57.03423	1.5
59.43410	1.1
60.05639	3.3
70.06591	18.4
70.65517	2.9
71.04989	63.1
72.08151	1.5
80.05035	1.3
81.03422	1.9
82.06583	1.6
84.04500	2.7
84.08142	1.9
88.07629	1.6
89.03931	1.5
90.92660	1.2
94.06585	2.5
95.04971	1.5
98.06052	49.7
98.97615	1.6
99.04451	42.4
100.03896	1.3
106.61691	1.1
110.06027	4.6
111.04424	1.4
112.08720	1.6
115.08684	2.7
116.07085	28.7
117.03387	1.7
119.01906	2.3
124.07585	2.6
125.05958	2.2
130.09775	2.7
131.01897	1.2
133.03476	1.3
136.99124	2.6
138.05516	6.6
140.07079	5.2
141.01167	1.5
142.08612	4.3
145.02698	1.9
147.04382	1.2
148.07549	2.2
152.07071	7.7
154.08601	2.6
155.00150	3.5
157.09697	2.1
158.09251	1.8
159.00011	1.1
164.97704	1.2
166.08557	1.7
170.08022	1.4
173.01112	1.6
173.02388	4.1
175.11951	2.6
176.07048	13.5
178.08614	4.0
183.00667	1.3
188.09169	13.1
190.08623	5.0
191.03372	2.5
200.07063	1.7
201.01843	10.7
203.03317	1.5
203.13838	2.6
204.06572	1.4
206.08162	2.1
208.09703	1.5
215.04008	2.6
218.08128	8.7
219.82347	1.2
220.09721	2.3
229.01324	8.5
231.02837	1.8
231.07603	4.3
235.10722	15.8
238.10770	5.6
241.01381	2.0
247.02458	11.0
249.08638	2.4
250.10786	10.4
256.98004	1.8
257.00806	19.9
259.02448	1.8
261.03043	3.6
262.03146	2.5
266.96503	1.2
268.09204	2.0
275.01859	17.4
285.00269	14.7
285.04391	1.4
285.14481	6.3
298.98270	1.4
303.01337	100.0
303.15427	92.8
304.01724	7.7
304.15778	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	303.18
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	5.7
55.05504	29.2
65.56715	2.3
67.05499	7.3
68.99788	2.4
69.07063	82.6
69.47125	14.2
72.98738	2.3
73.06559	13.5
74.21827	2.2
79.05499	13.2
81.07049	11.5
83.05018	3.1
83.08601	19.8
91.05494	7.9
93.07036	5.5
95.04959	2.8
95.08615	5.2
97.06530	19.6
97.10154	25.2
98.22620	4.5
103.05459	2.8
105.07028	5.0
107.08607	12.9
111.08120	3.2
115.07562	100.0
116.07889	2.3
118.12302	2.2
119.08573	4.4
121.06493	2.5
125.05978	8.0
125.09633	21.3
129.09105	5.8
133.06520	2.9
133.08528	2.2
133.10132	4.0
135.08037	4.7
135.11679	2.9
137.02391	3.1
137.05969	2.6
143.07018	20.4
143.10690	6.3
145.10057	2.5
147.04448	3.4
151.03912	5.6
151.07574	3.1
153.01834	4.3
155.08562	4.1
161.08104	13.6
161.13335	2.4
165.06966	6.4
175.09668	2.7
183.08043	4.8
189.11198	25.4
211.07497	3.4
257.04440	2.4
271.09686	4.8
282.92526	2.2
288.06326	6.0
303.04950	17.6
303.08624	8.8
303.12384	4.0
303.15561	18.9
303.18790	3.2
303.22974	3.7
304.15939	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	303.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	60.7
67.05499	39.9
69.07067	53.6
79.05505	19.7
81.07045	31.4
83.04989	44.4
91.05471	29.1
93.07055	38.0
95.08601	35.0
97.06538	24.3
97.10160	20.6
101.06015	77.3
105.07053	25.6
111.04443	100.0
117.07073	17.3
119.08604	19.3
121.06480	16.3
121.10147	41.4
129.05478	46.7
139.11174	65.7
141.85567	15.7
147.06503	30.3
157.12248	46.9
213.70174	15.2
245.04500	19.2
271.09775	20.7
303.05331	36.4
303.08408	33.8
303.12262	19.3
303.15817	33.2
304.28439	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1953
Annotation	Marianin B
Peak:m/z	Relative Intensity
53.03934	0.4
55.01847	0.7
55.05518	1.6
55.05704	0.3
57.03405	0.5
63.69746	0.3
65.03934	0.5
67.05511	2.0
68.99780	0.4
69.03400	0.6
69.07058	2.0
69.65972	1.6
71.04963	0.9
79.05486	1.9
79.18851	0.3
81.03396	0.4
81.06624	0.4
81.07057	4.3
83.04953	0.6
83.08606	0.4
85.06524	0.5
91.05473	2.0
93.07045	2.5
95.04964	1.6
95.08608	2.0
97.10190	0.4
98.22646	0.5
99.08082	2.1
103.05461	0.6
105.07018	3.1
107.04931	1.1
107.08571	1.8
109.06515	8.6
109.10161	1.6
109.24653	0.3
117.06980	0.8
119.08563	3.4
121.02850	0.5
121.06467	1.4
121.10112	0.9
123.04375	1.2
123.11727	0.5
125.06038	0.3
128.06224	1.1
129.06999	6.7
131.04938	0.9
131.08517	1.4
133.06447	1.0
133.10098	1.2
135.04385	1.3
135.08020	0.7
135.11659	0.5
137.02313	1.0
137.05956	1.8
141.07011	0.6
142.07729	0.7
143.08577	2.9
145.06480	1.8
145.10114	1.2
146.72025	0.4
147.04407	0.5
147.08038	2.8
147.11659	1.5
149.05963	1.4
149.08430	0.4
149.09595	0.6
149.13257	0.4
151.03874	1.6
151.07501	1.0
153.01794	1.7
155.04832	0.4
155.08458	0.5
156.09332	4.6
157.06496	3.6
157.10072	0.9
158.07291	0.5
159.08028	1.5
159.11678	1.5
161.05975	2.8
161.09586	0.8
161.13266	1.0
162.06813	0.4
163.03860	0.8
163.07533	0.6
165.01807	0.7
165.05444	0.3
165.07033	0.7
166.07828	0.4
167.03392	0.4
169.06404	0.8
169.10110	0.4
171.07999	0.8
171.11662	4.7
173.05937	0.7
173.09581	0.7
173.13229	0.8
174.06737	1.5
174.10393	1.0
175.07526	6.9
175.11130	1.1
175.14929	0.4
181.10120	0.4
183.08110	0.8
184.08833	2.7
187.03951	0.4
187.07538	1.4
187.11165	0.8
188.08368	0.9
189.09096	1.1
189.12688	2.5
197.13181	0.3
199.07518	0.4
199.11168	7.6
200.11630	0.4
201.05463	1.0
201.09132	2.4
202.09865	6.0
205.12135	1.6
211.07497	0.5
215.10680	2.6
216.11494	1.7
217.12222	100.0
218.12556	4.8
219.13757	0.4
225.57921	0.4
229.04948	1.2
231.13795	0.4
243.10112	0.5
247.06128	0.4
257.04425	0.6
257.07999	0.5
271.09732	0.7
285.18484	1.7
285.21829	0.7
303.04944	13.4
303.08176	1.4
303.12637	1.7
303.19534	45.0
303.22968	2.9
304.05185	0.5
304.19873	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.2
55.01864	0.3
55.05491	0.5
57.03418	0.3
63.98405	0.2
67.05482	0.9
69.03416	0.5
69.07045	1.0
70.20973	0.7
71.04974	0.6
79.05497	1.4
80.95163	0.3
81.03408	0.3
81.07045	3.2
83.04980	0.4
91.05488	2.2
93.07059	1.4
95.04954	0.8
95.08578	0.8
103.05432	0.3
105.07024	1.7
107.04928	0.5
107.08574	0.7
109.02870	0.3
109.06517	10.8
109.10149	0.6
110.06805	0.3
112.07612	0.4
115.05451	0.3
117.07025	0.4
119.04945	0.4
119.08590	2.8
121.06467	0.9
121.10144	0.6
123.04396	0.6
128.06221	1.3
129.07007	7.8
131.04927	0.6
131.08543	1.1
133.06459	0.9
133.10075	0.7
135.04401	0.8
135.08072	0.3
137.02345	0.7
137.05960	0.8
141.06973	0.8
142.07753	0.6
143.08551	2.9
145.06483	0.9
145.10089	0.7
146.07248	0.3
147.04396	0.4
147.08034	3.2
147.11673	0.6
149.05962	1.1
151.03894	0.8
151.07578	0.6
153.01828	1.1
155.08514	0.4
156.09349	4.5
157.06480	4.6
157.10054	0.5
158.07318	0.3
159.08055	1.2
159.11612	0.4
160.08765	0.3
161.05980	2.6
161.09628	0.4
161.13281	0.6
162.06737	0.6
163.03891	0.3
163.07503	0.4
163.11150	0.4
165.01903	0.5
165.06940	0.4
169.06444	0.5
171.08041	0.8
171.11705	3.4
173.06007	0.5
173.09587	0.4
174.05504	0.3
174.06760	1.6
174.10368	1.6
175.07544	5.7
175.11102	0.3
183.07999	0.3
184.08823	2.6
187.07605	0.9
187.14763	0.3
188.08290	1.0
189.09125	1.0
189.12718	1.8
189.66800	0.2
191.14186	0.3
199.11179	5.7
201.05453	0.8
201.09084	2.8
202.09871	5.0
215.10707	0.4
216.09688	0.3
216.11433	1.4
217.12230	100.0
218.12589	4.9
229.04951	0.8
257.04449	0.5
257.22427	0.4
260.01755	0.3
271.09634	0.3
274.04944	0.4
285.18546	0.5
285.22025	0.4
303.04962	9.1
303.08066	0.5
303.12262	1.0
303.19534	36.9
304.05328	0.6
304.19897	2.0
304.22995	0.4
314.86707	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1953
Annotation	Marianin B
Peak:m/z	Relative Intensity
53.55369	0.2
55.01851	0.2
55.05507	0.7
63.04115	0.3
67.05503	1.1
69.03416	0.5
69.07052	1.0
69.87047	1.2
71.05000	0.3
74.57283	0.2
79.05493	1.5
81.07053	3.2
83.04980	0.4
88.07629	0.3
91.05479	1.6
93.07041	1.1
95.04967	0.6
95.08596	0.8
98.22585	0.3
103.05462	0.3
105.07008	1.5
107.04934	0.5
107.08596	0.7
109.06515	11.4
109.10143	0.5
115.05444	0.5
116.06242	0.5
117.06969	0.5
119.08585	2.9
121.02875	0.3
121.06495	0.9
121.10143	0.4
123.04425	0.6
123.11706	0.3
128.06258	1.1
129.07004	6.8
131.04910	0.4
131.08539	0.7
133.06500	0.9
133.10127	0.7
135.04391	0.6
135.08040	0.5
137.02357	0.3
137.05969	1.2
141.06950	0.5
142.07744	0.8
143.08540	2.7
145.06483	1.3
145.10126	0.5
147.08054	2.6
147.11668	0.6
149.06017	1.1
151.03888	0.5
151.07494	0.6
153.01793	0.6
155.08559	0.3
156.09337	3.7
157.06491	4.2
157.09996	0.3
158.07260	0.4
159.08017	1.3
159.11707	0.5
160.08842	0.3
161.05981	2.6
161.09613	0.6
161.13196	0.3
162.06740	0.3
165.01811	0.4
165.07036	0.4
166.07652	0.2
169.06483	0.6
169.10103	0.3
171.08041	0.8
171.11667	3.5
173.05934	0.3
173.09657	0.4
174.06757	1.3
174.10370	1.2
175.07535	4.9
175.11107	0.5
181.09996	0.3
184.08821	2.4
187.07524	1.0
187.11214	0.3
188.08253	0.7
189.09079	0.8
189.11029	0.3
189.12621	1.4
199.11183	4.9
201.05475	0.3
201.09074	2.2
202.09869	4.4
215.10672	0.6
216.11467	1.5
217.12225	100.0
218.12573	4.7
229.04955	0.3
242.24773	0.3
257.04294	0.3
285.18332	0.6
303.04959	4.2
303.15680	17.9
303.19519	38.6
304.15958	1.0
304.19839	2.9
304.28415	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1954
Annotation	CHEBI:85575
Peak:m/z	Relative Intensity
53.03947	2.5
55.01868	3.6
55.05506	8.3
67.05505	17.8
69.03432	2.5
69.07060	8.3
71.04996	2.7
71.32947	4.5
73.04287	2.2
79.05489	11.8
81.03413	4.6
81.07049	36.6
86.76111	2.0
91.05472	23.6
93.07045	31.6
95.04977	4.7
95.08598	51.4
97.10146	5.6
102.97004	2.3
105.07018	36.3
107.04966	7.2
107.08584	29.1
109.06500	5.1
109.10154	20.1
111.04529	2.1
114.52792	2.2
117.07029	12.9
119.04928	8.1
119.08574	23.8
121.06489	11.9
121.10133	15.8
123.04418	6.7
128.06207	3.1
129.06987	6.0
130.07791	2.8
131.04951	2.9
131.08569	21.0
133.06487	10.6
133.10103	25.8
135.04433	2.3
135.08052	5.7
135.11678	14.5
137.02353	3.3
137.05965	12.1
139.03912	3.8
141.06990	4.0
142.07788	4.0
143.08537	9.3
145.06503	3.0
145.10101	19.9
147.08034	6.5
147.09189	2.2
147.11667	12.5
149.05988	4.4
149.09576	5.5
149.13272	5.5
151.03908	7.6
151.07527	7.9
153.01767	4.8
153.05466	4.4
153.06958	3.3
155.08578	7.7
156.09312	3.3
157.10077	15.6
159.08017	5.9
159.11641	19.2
161.09622	7.8
161.13232	6.9
163.07506	5.0
163.11128	4.2
165.06985	7.0
169.10098	10.7
171.08083	3.7
171.11710	7.0
172.22850	2.8
173.06050	3.1
173.09630	4.6
173.13255	7.4
175.03830	2.4
175.07562	2.5
175.11261	4.8
177.09201	5.8
177.12781	7.3
179.07031	4.2
179.10669	8.9
181.06544	3.7
183.08035	5.6
183.11653	12.1
185.13239	6.5
187.11195	4.8
187.14838	8.4
189.09187	3.8
191.10675	4.5
195.10196	3.1
197.13234	9.2
199.14818	6.6
199.59137	2.4
201.05295	3.0
201.16347	3.4
202.17108	3.0
203.10741	5.3
207.10207	2.8
211.07506	3.8
211.14772	8.5
213.16370	7.4
215.10696	4.1
215.17906	4.2
221.11655	8.1
223.13277	6.3
225.09082	2.6
225.16272	4.1
227.17918	9.5
228.18585	5.0
229.05016	3.9
229.12285	3.7
229.15721	2.9
229.19481	13.0
233.11690	14.7
239.17958	21.3
241.19553	3.4
243.10129	4.5
243.13696	3.3
257.04233	2.9
257.18985	40.5
267.17441	8.9
271.09509	4.3
272.99753	2.2
275.20126	4.7
285.18481	36.0
292.14868	2.2
303.01315	7.0
303.04965	37.2
303.08527	10.3
303.12076	10.4
303.19534	100.0
303.22937	7.0
304.19864	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	303.2164
Annotation	Koninginin G
Peak:m/z	Relative Intensity
55.01871	10.1
55.05510	100.0
60.09878	7.4
62.89573	7.8
65.18464	7.4
67.05511	49.3
69.03425	8.4
69.07061	59.1
69.14197	77.8
69.48572	8.7
70.06570	12.2
79.05505	27.2
81.07054	51.9
83.08610	62.9
88.07634	19.7
91.05468	13.8
93.07056	23.4
95.08604	27.1
97.10161	58.5
99.08094	20.6
101.06031	11.5
105.07044	10.6
107.08578	22.0
109.10161	10.6
111.08067	25.8
115.07586	11.3
119.08605	15.2
121.10189	15.4
125.09641	71.8
129.09093	20.2
131.08559	9.5
133.10126	8.8
137.05922	8.5
139.11230	8.7
143.10706	28.0
147.11719	9.9
151.03983	9.7
159.11650	10.2
161.13228	9.5
175.09702	25.8
189.11218	22.8
197.05949	9.7
242.24832	25.9
249.18410	10.3
257.18982	8.4
267.19604	34.2
271.09683	15.2
303.05029	49.7
303.08392	15.4
303.15726	40.1
303.19547	21.9
303.23154	18.1
304.28442	49.6
314.96878	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	304.0791
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63658	4.0
56.05029	14.5
56.96568	6.4
58.06600	5.8
60.05652	7.3
61.02914	3.8
68.05015	5.8
69.03416	6.2
70.06589	42.6
71.04993	10.7
71.06934	5.1
71.30100	4.5
81.04542	14.4
84.04514	8.4
84.08150	8.5
85.02898	12.3
85.07674	5.8
86.06065	16.1
95.06087	8.8
97.02901	5.7
98.06059	5.7
100.03992	11.2
101.00897	7.3
102.05536	10.0
112.08723	4.3
114.05530	46.1
116.07076	7.1
119.01910	11.9
123.04416	3.9
124.07631	10.0
125.07127	14.7
127.03907	4.4
130.04971	4.5
130.09831	4.6
131.01897	6.4
140.08170	7.1
140.80199	3.6
141.01158	14.6
141.10216	9.9
142.08617	7.3
143.01929	4.3
143.03423	8.2
143.08156	59.9
145.03444	7.4
157.09737	5.8
161.02937	9.3
173.03041	4.8
175.11868	9.2
185.02901	3.8
185.09216	100.0
200.09196	5.8
203.03740	4.3
205.99878	5.6
239.98402	3.4
245.05103	6.9
286.13959	39.9
302.60626	3.9
304.01840	6.5
304.07965	84.5
304.15887	17.7
305.06293	3.8
305.11813	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.0793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06276	4.9
56.96571	55.9
69.03436	8.6
69.64568	24.8
70.06589	10.9
70.98116	24.7
71.04964	5.6
71.24886	4.3
71.95270	8.3
81.04553	7.7
82.02947	6.9
84.96000	6.1
85.02901	17.4
85.06540	4.7
86.30811	4.4
97.02899	15.9
98.97587	85.6
100.03971	18.8
101.00890	18.5
105.55573	6.5
110.97581	5.8
113.00887	7.1
116.98627	32.9
116.99363	6.9
119.01919	21.2
128.98550	10.1
131.01903	17.0
131.05527	14.0
133.03481	5.8
134.99669	7.9
140.07024	5.8
140.08173	6.1
141.01190	64.8
142.12288	9.6
143.00163	13.4
143.01897	11.6
143.03378	8.0
143.08174	20.3
145.03441	7.2
146.99677	5.7
149.06552	10.5
154.96509	5.7
155.01868	13.5
157.03407	7.8
158.99657	5.2
161.01279	7.1
161.02948	23.1
161.06619	16.5
170.96043	9.1
172.05367	19.6
172.97559	8.3
173.03003	16.4
173.06664	12.6
174.99123	10.5
184.97577	7.5
185.02885	6.0
185.06610	16.6
188.97078	20.7
189.00769	7.6
190.98651	13.3
191.02295	6.2
192.70007	5.1
202.98679	7.1
203.02292	11.5
203.03960	11.6
203.07649	17.7
205.00238	5.0
206.98116	6.8
214.98506	6.5
215.07597	22.7
217.09229	6.0
219.01770	5.8
220.99788	7.7
221.01753	10.8
221.05087	18.3
222.57863	5.1
230.98187	8.8
232.99606	9.2
237.02763	10.0
245.05103	7.6
245.08653	6.9
248.88663	4.6
248.99146	8.3
256.97595	5.4
261.03052	5.3
262.03302	14.0
263.02957	23.8
275.09738	10.9
281.01617	5.8
304.01575	23.6
304.04907	9.8
304.07953	91.0
304.13367	6.3
305.05521	9.3
305.11545	100.0
323.06421	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	304.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.7
55.01860	1.1
57.03435	1.1
67.05484	1.5
68.82530	0.9
68.99777	2.4
69.03406	1.7
69.36140	5.4
73.06562	0.9
79.05479	2.9
81.03410	1.8
81.07039	1.0
83.37870	0.9
85.02892	3.2
86.06052	5.8
88.49055	0.8
93.03366	0.9
95.04954	2.7
97.02866	1.7
97.06519	1.1
101.05965	1.1
102.86308	0.8
107.04953	56.1
108.05282	2.1
109.02867	2.3
111.00761	2.1
118.42908	0.8
119.04927	1.1
121.02856	2.0
122.03190	1.6
123.04418	5.3
124.04728	1.6
124.39603	0.8
125.09603	1.0
127.03916	2.8
128.04254	1.1
136.04709	0.9
137.02348	6.4
138.02666	4.8
139.03900	2.0
142.08546	1.9
143.07106	1.0
147.04408	1.3
148.04715	1.0
149.02271	0.9
151.03867	3.6
152.04234	1.9
152.73174	0.8
153.01823	8.9
154.02168	7.5
164.04254	1.2
165.01833	2.0
165.05486	1.7
166.02223	2.5
167.07053	6.9
168.07367	10.1
173.05994	1.0
174.06326	1.8
184.03217	1.4
188.04239	1.1
202.05794	4.9
229.04720	1.6
230.05238	9.3
245.14922	1.1
248.06325	1.1
258.04831	4.6
286.04330	2.2
304.05307	100.0
305.05594	6.9
305.10629	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	9.3
55.61985	7.9
59.21068	7.8
67.05483	12.0
69.03409	13.5
70.84020	12.4
70.84371	7.2
70.84938	7.1
81.07046	31.9
88.07658	8.5
93.06976	7.2
95.04368	7.6
95.08627	8.5
97.05171	7.8
99.08098	88.2
109.06527	10.0
109.30057	6.9
112.07600	100.0
127.03898	8.8
147.11681	8.4
175.03851	10.6
176.30850	7.4
238.41241	7.5
253.07130	8.2
259.16904	7.9
267.27924	6.7
303.21658	7.7
304.23056	9.8
304.26379	12.1
305.17191	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	305.0654
Annotation	Dihydrorobinetin
Peak:m/z	Relative Intensity
51.94675	0.5
53.03938	1.7
53.23555	0.5
55.01869	1.7
55.05547	0.5
65.03934	1.9
67.05511	2.9
68.99780	4.7
69.03423	0.5
70.02944	1.7
70.06582	2.7
75.83717	0.5
77.03908	0.8
79.05483	0.6
81.03416	11.6
83.04981	1.4
87.05564	0.5
91.05471	1.4
93.03410	1.8
95.04966	4.2
96.04480	0.6
97.02907	1.1
100.03992	0.7
105.03378	4.1
107.01249	0.8
107.04947	1.0
109.02875	34.0
111.00792	2.3
111.04433	1.7
114.05538	2.1
115.05397	0.7
116.07079	0.8
118.64532	0.6
119.04934	2.1
121.02882	2.6
123.03506	1.1
123.04428	31.2
127.03911	67.1
128.04240	1.7
129.06981	1.2
133.02844	10.3
137.02293	0.9
137.09592	0.6
139.03893	61.1
140.04230	1.2
141.06961	3.9
143.03389	0.7
143.04878	0.8
143.08542	0.7
145.06509	1.1
147.04411	5.7
149.02321	6.7
150.03087	2.2
151.03899	100.0
152.04228	3.4
153.01823	9.7
155.03381	37.8
156.03810	0.9
157.06453	1.8
158.07286	1.0
161.05969	0.7
163.03877	1.4
165.05476	2.3
165.06894	0.7
167.03375	3.6
167.04640	0.6
169.06479	2.5
170.07266	1.5
171.04341	0.8
173.05948	0.7
175.03868	5.6
175.07506	0.7
177.05434	1.1
179.03387	18.4
183.08130	0.7
185.05959	1.2
186.06747	3.1
189.05446	0.8
193.04980	1.3
199.03891	1.7
201.05612	0.9
201.09105	16.0
202.47562	0.5
203.03429	3.9
203.06934	0.5
213.05421	6.2
217.05011	1.5
219.06581	0.6
221.04330	0.6
225.09248	0.7
228.77255	0.6
229.04974	1.9
231.06435	3.2
241.04898	5.1
247.05983	1.9
259.06006	6.2
260.13000	0.7
269.04498	0.8
275.05359	3.1
277.07034	10.5
287.05493	17.4
288.05649	0.9
288.12268	12.4
305.01990	2.6
305.06549	11.5
305.09985	1.0
305.14963	2.5
306.06882	1.0
316.07230	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0654
Annotation	5,7,3',4',5'-Pentahydroxyflavanone
Peak:m/z	Relative Intensity
53.03953	1.3
55.01865	3.6
57.03446	0.8
62.37354	0.7
65.03929	4.5
65.15974	0.8
67.01862	2.3
67.05492	4.2
68.99792	8.8
69.03419	3.0
70.06597	1.3
71.33791	1.4
77.03922	2.0
79.05482	2.5
81.03433	4.8
81.03812	0.9
81.07033	1.3
83.95351	0.9
85.65231	0.7
91.05470	3.2
93.03391	1.9
93.07008	1.0
95.04962	9.3
95.08611	1.2
97.02888	6.9
105.03378	4.3
105.07040	1.7
107.04926	2.5
109.02866	9.1
111.00803	3.6
111.04444	7.6
115.05482	1.2
118.84233	0.9
119.04951	4.8
119.08572	1.1
121.02862	13.9
121.10128	1.2
123.04424	92.8
124.04761	2.0
127.03908	44.8
128.04291	1.2
128.06192	1.5
129.06990	1.5
133.02843	8.6
135.04410	3.2
137.02299	1.7
137.05992	2.2
139.03897	29.9
139.70523	0.8
141.05482	1.1
141.07019	1.1
145.06470	2.3
146.06055	1.2
147.04391	16.9
149.02332	77.4
150.02931	3.4
151.03891	44.8
152.04315	0.9
153.01819	100.0
153.05434	28.7
154.02225	3.1
155.03372	7.3
157.06488	7.3
160.05037	1.0
161.02313	7.2
161.05989	1.9
163.03903	2.4
163.07477	1.3
165.01949	0.9
165.05463	8.4
167.03410	11.2
167.04846	1.7
168.03691	1.1
171.02895	2.1
171.04329	1.8
173.07196	1.1
175.03899	5.9
175.07481	2.0
177.05493	1.2
179.03377	18.8
185.05942	11.9
189.05447	2.0
191.08170	5.6
195.02870	14.6
195.04468	1.5
201.05533	1.3
201.63147	0.8
203.03381	8.5
213.05453	19.6
215.03372	0.8
217.04991	2.4
229.05139	1.9
231.06502	50.4
232.06845	3.3
241.04913	7.8
243.06493	1.2
245.04425	1.3
245.09172	0.8
247.05898	1.3
258.05249	3.2
259.05997	63.3
260.06366	2.8
269.04276	0.9
273.03955	1.0
275.05460	2.0
277.06912	5.5
281.74246	0.8
287.02271	2.0
287.05493	28.1
287.08557	1.2
288.05725	1.5
305.06522	19.9
305.11554	4.1
306.06793	1.0
311.17456	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96574	1.0
69.03442	2.0
70.97829	2.4
78.31147	1.1
82.99883	3.4
83.89526	0.9
85.02942	1.2
97.02914	4.3
98.97628	3.1
101.00879	29.9
101.01521	1.5
102.01032	1.3
109.02941	1.3
110.97604	1.2
113.00863	7.8
119.01918	36.8
120.02048	1.4
124.07613	1.4
125.07905	2.2
126.29577	1.2
127.03896	1.2
131.01900	21.9
131.02878	1.2
136.07297	1.1
137.02994	3.1
142.08696	1.1
143.01903	40.0
143.06921	1.1
144.02087	1.8
145.03526	3.8
149.03003	2.1
155.01869	10.0
157.03546	3.6
158.06047	1.3
159.01419	1.2
161.02960	100.0
162.02026	1.1
162.03091	6.7
167.01936	1.7
169.03508	1.6
173.02966	22.2
173.06937	1.6
175.04659	1.8
177.15051	1.0
179.04057	1.2
185.02962	11.2
187.04485	2.5
191.04012	9.3
196.18159	1.0
197.02988	12.5
203.04022	22.6
203.05815	2.3
204.04213	1.4
207.00922	1.0
215.04030	4.9
215.07771	4.0
221.05167	3.7
227.04050	2.1
233.08669	6.4
245.05125	7.4
263.06125	1.4
268.53549	1.1
296.05051	1.3
305.11697	57.6
306.10696	2.0
323.10315	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1017
Annotation	Catechin-7-methyl ether
Peak:m/z	Relative Intensity
51.02373	0.6
53.02668	0.3
53.03944	1.1
55.01870	0.8
57.70536	0.3
65.03930	1.6
65.27953	0.3
67.05154	0.4
67.05500	5.6
67.48144	0.3
68.99786	4.3
69.03426	0.4
70.06590	0.5
71.32813	0.3
73.23318	0.3
77.03903	0.5
79.05488	3.2
81.03415	1.0
81.07031	1.6
83.04943	0.4
85.06533	0.4
91.05466	3.7
93.03397	0.3
93.07039	0.7
94.04185	1.4
95.04961	7.7
95.08577	0.6
97.06517	0.8
98.67067	0.3
105.03388	0.9
105.04552	0.3
105.07018	0.8
107.04946	0.9
107.08589	0.6
107.60587	0.3
109.02873	1.5
109.06479	1.3
109.10167	0.5
110.03676	0.4
111.00780	0.5
111.04404	0.7
117.06955	0.3
119.04930	9.0
119.08549	0.5
121.02855	0.3
121.06529	0.4
121.10143	0.6
121.89478	0.3
123.04419	42.4
124.04771	1.3
125.05972	1.6
127.03906	7.2
127.86475	0.2
129.06900	0.3
131.08530	0.4
133.02859	1.1
135.04407	0.6
137.05974	1.5
139.03888	4.9
141.05443	5.8
143.08516	0.3
147.04395	26.2
148.04736	0.7
149.02339	0.8
151.03896	7.3
151.04871	0.3
151.07565	0.4
152.04218	0.3
153.02051	1.9
153.05453	100.0
154.05786	3.1
155.03371	1.1
157.10120	0.3
163.03964	0.3
165.05464	17.7
166.05763	0.9
167.03381	0.5
167.07016	0.5
175.03891	0.9
177.05370	0.4
179.03369	2.6
181.08528	0.3
183.06493	1.7
195.06422	0.3
203.03400	1.0
213.05496	0.7
220.00433	0.3
223.13116	0.3
229.04912	0.4
231.06471	0.5
231.13588	0.3
241.04768	0.4
241.19482	0.5
259.05859	0.3
269.04361	0.3
269.19098	0.6
275.05548	0.3
277.07144	0.8
287.05453	2.0
287.09024	0.9
287.16751	0.4
287.19931	1.6
305.06821	1.6
305.09708	1.6
305.21069	2.9
324.96884	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47205	0.7
56.96559	0.9
69.03400	1.1
69.40385	5.9
70.06578	0.7
70.99876	0.7
82.99841	3.1
94.99847	0.9
97.02918	4.0
98.97575	1.4
101.00881	28.8
109.02876	1.0
110.97526	1.3
113.00872	7.4
118.94455	0.9
119.01919	42.5
120.01981	1.2
124.07570	0.8
125.07885	0.9
130.06569	1.4
131.01906	21.2
131.02882	1.2
137.02957	3.8
143.01889	43.0
144.02000	1.6
145.03452	3.5
149.02928	3.4
155.01889	11.3
157.03503	4.6
158.05965	2.9
159.01340	1.6
161.02956	100.0
162.03099	6.1
167.01900	2.2
173.02966	25.9
175.04538	2.0
179.03958	2.3
184.04381	0.8
185.02974	8.8
185.06561	1.2
187.04530	2.1
191.03996	8.4
197.02930	9.0
203.04021	23.3
203.07477	0.8
204.04230	1.4
215.03979	5.9
215.07587	4.1
219.01776	1.1
221.04959	2.2
227.03935	1.8
233.04971	1.1
233.08734	4.5
237.02740	1.3
245.05054	7.3
305.11182	51.8
306.11182	2.8
323.10178	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30017	0.6
56.06431	0.6
56.96568	0.8
69.03421	1.7
69.66138	3.0
71.04993	0.8
71.13207	0.6
76.44033	0.7
79.05505	0.6
85.02889	1.0
89.16752	0.6
91.44360	0.6
97.02948	1.5
98.97595	2.1
101.00896	5.5
110.97562	1.1
113.00897	1.4
116.98696	0.7
119.01926	9.4
124.07599	6.3
125.07919	4.4
127.03934	1.9
128.98668	0.6
131.01909	4.4
137.03027	1.0
143.01909	6.3
143.06851	2.4
143.09059	1.2
145.03481	0.9
151.03937	0.8
155.01945	2.2
157.03514	0.7
158.06152	0.7
159.03285	0.7
161.02960	20.0
161.04233	1.1
162.03119	1.1
173.02960	4.6
179.03767	0.7
185.03035	2.2
187.04547	0.9
191.04034	1.3
197.02995	2.1
203.04047	3.8
203.05771	0.7
215.04079	1.5
215.07675	1.3
233.08817	1.5
245.05051	1.3
259.79068	0.6
281.36639	0.6
305.12109	100.0
306.12347	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	305.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.4
55.05512	0.5
62.28448	0.3
65.03940	0.5
67.05505	1.8
69.03439	0.5
69.07066	0.6
74.06088	0.4
77.03944	0.3
79.05492	1.1
81.03419	0.5
81.07050	2.2
91.05478	4.1
93.00302	0.3
93.05783	0.8
93.07048	3.5
94.06569	0.4
95.04979	1.9
95.08617	1.4
96.08133	0.6
97.06519	0.8
98.23445	0.6
103.32183	0.3
105.04515	0.7
105.07031	1.0
107.08587	1.3
108.04482	0.6
108.08132	1.6
108.58039	0.3
109.06528	0.4
109.10177	1.5
119.08551	0.6
120.04805	0.3
121.10145	0.7
122.06034	3.4
123.11691	0.4
124.06660	0.6
124.07583	9.0
125.07870	0.5
125.09579	0.4
126.05544	1.3
127.03919	0.4
133.10141	1.0
136.07576	100.0
137.02357	0.4
137.05989	0.6
137.07919	2.5
138.09143	0.4
140.07066	1.2
145.10150	0.8
147.11688	0.6
149.13313	0.7
149.64743	0.3
150.05484	0.7
151.03909	0.5
152.07069	17.5
153.01857	0.8
153.07426	0.5
155.24835	0.3
159.11589	0.6
161.13254	0.4
163.03860	0.5
164.07066	71.2
165.07414	2.5
170.08147	3.4
182.08141	12.0
183.08524	0.6
231.05634	0.4
287.13968	3.0
287.16635	0.6
305.05542	5.5
305.14752	0.7
305.24609	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68095	5.6
53.03957	10.6
55.01858	10.8
55.05513	10.7
57.03431	18.4
58.20909	6.1
67.05496	10.1
69.03426	26.4
69.07070	9.5
69.32339	47.2
71.04995	60.6
74.06077	100.0
79.05484	10.3
81.03425	22.9
81.07052	16.0
83.04984	14.5
83.08615	13.3
84.04518	6.6
85.02898	49.0
85.06537	17.0
93.07049	12.4
95.04958	83.4
97.02899	21.6
97.10160	18.1
98.06047	8.5
98.23353	6.4
99.04464	6.9
102.05542	11.1
103.03944	24.0
104.31895	5.6
105.06991	8.5
107.04945	15.3
107.08580	51.6
108.05311	10.7
109.02845	12.2
109.06522	9.4
116.06409	6.7
116.07073	34.4
120.06585	20.7
120.80340	5.7
121.06489	9.5
122.45116	7.4
123.04408	43.8
125.05945	8.5
125.09626	89.6
126.09165	12.9
127.03886	28.3
131.04970	8.6
137.05981	10.4
137.09650	11.7
139.03906	10.6
139.05061	8.4
140.52771	6.4
143.07033	7.5
143.10654	80.7
144.06560	26.2
144.10188	43.6
145.05011	9.8
147.04431	10.8
149.05983	11.4
149.09630	7.9
151.03926	7.5
153.01852	13.8
153.05458	42.2
161.06052	6.8
162.07565	7.5
165.05473	11.2
167.03586	6.9
167.10661	80.2
179.10725	11.1
191.10728	6.3
197.08089	11.5
209.11774	11.4
213.05647	7.1
220.53596	6.7
231.06534	10.9
259.05978	7.9
275.63699	5.7
288.10806	12.5
305.06409	6.8
305.10916	9.1
305.14764	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	305.1594
Annotation	Creoside I
Peak:m/z	Relative Intensity
53.83970	5.9
55.01868	12.1
56.05025	13.2
57.03428	12.2
67.05485	9.1
69.03415	30.2
70.87776	9.9
71.04975	33.9
74.06080	90.0
79.05518	9.5
81.03384	12.8
81.07038	13.2
83.04967	25.3
85.02899	37.9
85.06525	14.0
91.05467	15.5
93.07054	8.1
93.80519	6.7
95.04967	81.9
97.02896	30.9
97.10178	14.1
99.04468	9.5
100.44541	6.1
103.03918	7.5
103.05478	7.7
107.04938	8.7
107.08584	44.5
109.02863	8.7
109.06499	8.8
109.10104	8.3
111.04299	6.0
116.07076	39.5
117.07138	6.4
119.50215	5.8
120.06571	12.8
121.10159	6.6
123.04420	27.5
125.09625	100.0
127.03928	15.0
131.04958	12.4
137.05949	9.5
137.09592	24.6
139.05022	6.4
143.10670	96.2
144.06534	34.4
144.10168	8.8
145.05035	8.4
147.04337	7.5
149.09630	8.0
153.01836	8.1
153.05463	26.7
162.07631	6.9
165.09135	9.1
167.10674	66.3
175.68494	8.5
179.03560	7.8
179.10658	15.2
209.11682	11.6
221.11827	6.8
231.06517	6.8
264.10818	10.4
305.10712	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	305.211
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	13.2
57.07065	11.4
67.05509	22.7
69.07064	13.6
76.93560	6.2
79.05483	16.1
81.07050	62.7
91.05483	21.2
93.07053	23.4
95.08627	42.9
98.39694	6.2
105.07048	11.1
107.08598	18.1
109.10155	18.0
119.08575	7.5
121.10144	14.3
123.04449	6.9
123.11700	8.5
133.10197	5.8
135.11678	9.0
137.06007	16.7
145.10136	8.6
169.08591	100.0
179.08485	6.3
195.60794	6.6
197.30476	5.8
207.10152	8.7
283.27283	6.8
287.16498	6.9
305.11597	8.6
305.17569	21.9
305.21057	8.3
305.24884	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	305.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13611	4.9
55.05501	9.4
67.05501	20.1
69.07071	7.0
71.31437	5.3
71.31808	5.0
79.05496	10.7
81.07060	56.9
91.05490	10.8
93.07055	15.0
95.08609	22.4
101.59683	4.2
105.07037	6.4
107.08617	15.1
109.10165	8.7
119.08612	6.5
123.11710	7.9
129.01872	6.5
133.10083	6.6
137.05980	6.5
137.13275	15.5
155.64919	4.5
169.08609	100.0
183.74188	4.3
235.13280	10.3
278.97275	6.0
305.17606	6.8
305.21021	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	305.2111
Annotation	Agallochin I
Peak:m/z	Relative Intensity
53.03940	4.9
53.28203	1.7
53.57645	1.8
54.50092	1.5
55.05507	7.2
57.07079	3.8
58.85210	1.8
61.10947	1.8
67.05500	12.5
69.03426	2.1
69.07071	18.9
69.94486	3.7
69.94842	6.5
71.08648	1.9
79.05495	60.7
81.07057	22.9
83.01346	8.2
83.05040	2.3
83.08633	4.1
89.29874	1.9
89.40285	1.7
91.05479	22.3
93.07044	100.0
94.07361	2.3
95.04989	6.5
95.08601	12.2
97.06522	20.3
97.10201	2.4
98.22688	2.5
105.04532	2.1
105.07038	13.4
107.08592	71.0
109.06507	2.9
109.10170	6.6
111.08086	1.9
117.07013	3.7
119.08611	6.6
121.06487	2.3
121.10144	7.0
123.08112	2.0
123.11683	2.8
125.09636	5.4
128.06226	2.7
129.07005	5.6
131.08585	14.1
133.10121	11.6
135.11696	89.7
136.12062	5.4
137.06004	3.5
137.09590	2.3
139.11192	4.2
142.07828	1.7
143.08589	15.2
145.10120	14.8
147.08012	3.3
147.11694	4.6
147.48843	1.8
149.09627	2.6
149.13246	2.1
151.07574	4.3
153.09157	9.6
157.10155	8.1
159.08018	1.9
159.11713	5.3
161.09677	4.0
161.13333	3.1
163.14841	1.8
165.12775	2.8
170.39056	2.2
171.10260	3.3
171.11681	3.8
173.13315	4.0
175.07469	2.7
175.11215	2.3
185.13298	8.2
187.14772	10.5
189.09125	5.4
189.12836	2.1
191.14372	3.1
199.14861	5.9
203.10773	1.9
203.14362	5.9
207.09972	2.6
225.11273	4.3
231.13828	13.9
231.21086	3.6
241.19608	8.8
243.21198	2.5
259.20618	12.4
287.20081	26.1
288.20355	2.6
305.17551	5.6
305.20975	3.9
305.24924	1.9
305.28299	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	305.2473
Annotation	14,15-Dihydro-16-helicallenoic acid
Peak:m/z	Relative Intensity
53.03946	6.6
55.01875	1.4
55.05510	10.4
57.07069	2.6
65.03928	2.1
67.05502	53.6
69.07068	10.8
71.04972	1.3
77.03902	1.3
77.48881	0.9
79.05491	72.2
81.07051	36.2
83.04958	1.2
83.08608	8.1
91.05479	33.9
91.38240	1.0
93.07040	100.0
94.07379	3.3
95.04980	7.2
95.08603	31.1
95.09207	1.6
97.06551	7.7
97.10162	2.4
105.04503	3.0
105.07027	7.8
107.08588	39.3
109.06510	3.3
109.10142	10.4
111.08078	2.1
117.07003	2.6
119.08590	7.3
121.10140	72.3
122.10478	1.8
123.08062	2.7
123.11732	3.1
131.08583	3.7
133.10106	4.6
135.11685	29.7
137.05959	3.2
137.09622	2.1
137.13187	1.3
145.10133	3.1
147.11714	4.5
149.13260	8.3
157.10222	1.5
159.11713	2.0
161.13286	2.6
163.14812	2.7
173.13292	2.4
187.14854	3.6
191.14227	0.9
203.18047	1.9
221.19017	2.6
223.16994	1.4
252.54059	1.0
259.24207	3.4
260.20700	1.2
269.22595	1.1
277.25174	2.0
287.23682	7.9
305.24750	58.3
306.21146	2.1
306.25073	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	306.1006
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	0.3
57.03441	1.8
58.99578	0.6
61.02925	2.0
65.03941	2.8
68.05034	2.3
69.03435	5.9
70.70838	0.6
70.71172	0.4
71.05005	0.8
73.02923	1.7
73.17348	0.3
74.06070	2.4
81.03411	1.9
84.04510	2.5
84.08147	9.5
84.08658	0.5
85.01146	2.4
85.02911	13.7
86.06067	0.5
86.09688	0.7
87.04468	1.2
91.03954	0.5
95.01105	0.4
97.01134	0.5
97.02900	3.9
98.00645	3.3
99.02688	3.7
99.04456	1.0
100.80693	0.3
101.02377	1.0
103.03934	0.8
107.04996	0.3
108.28292	0.3
109.02875	1.6
112.02200	0.4
113.02210	0.4
113.02970	3.1
115.03899	0.5
116.07113	0.9
126.03743	27.9
127.03881	2.4
127.04557	2.1
135.39520	0.3
139.03909	1.7
141.13890	0.7
144.04787	100.0
145.05075	3.5
154.04373	0.3
169.04774	0.4
169.13356	1.0
172.04218	0.4
177.03322	0.4
186.05914	2.2
198.11229	0.4
201.03787	0.3
215.13924	4.0
243.17044	6.4
266.25415	0.3
306.10056	9.7
307.10410	0.6
307.16742	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1183
Annotation	Passiguatemalin
Peak:m/z	Relative Intensity
53.03939	0.6
53.23750	0.3
55.01872	1.0
56.05034	9.8
57.03441	3.3
61.02942	0.3
69.03429	5.2
69.07067	0.4
69.41743	2.3
70.06589	4.7
71.04974	0.9
74.06079	100.0
75.04452	0.4
75.06413	1.2
81.03419	4.2
81.07077	0.5
84.04502	5.0
85.02911	6.9
86.06061	1.5
90.05576	0.6
90.80486	0.4
93.07025	0.4
97.02888	2.9
98.06056	9.5
98.23296	0.7
99.04449	2.5
102.05545	10.8
105.07030	0.4
107.04970	1.2
109.02894	3.2
114.05531	1.6
116.07091	33.8
117.05496	0.4
117.07359	0.5
120.06578	30.0
121.06918	0.4
123.04425	0.8
125.02431	0.5
127.03899	3.2
128.10838	0.4
139.03909	1.1
144.06555	28.3
145.04984	1.1
145.06773	0.6
147.09225	0.5
153.01863	0.4
162.07617	13.9
164.07089	1.2
173.07104	1.1
174.07713	0.4
191.08183	4.5
192.08751	0.6
202.09491	1.1
204.08780	0.5
210.07681	1.0
216.08719	0.9
228.08693	1.2
234.09804	0.7
246.09709	2.2
252.08435	0.4
258.09909	0.6
260.12802	0.5
264.10776	5.6
270.09735	1.9
288.10712	6.3
288.13571	0.4
289.12436	1.2
306.11649	2.8
307.12793	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	306.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96970	0.5
56.05037	8.7
57.03433	2.1
69.03439	4.5
69.19604	2.2
69.20028	1.8
70.06595	2.4
71.04993	1.1
73.02920	1.1
74.06077	100.0
75.06423	0.6
81.03410	2.7
81.07054	0.7
83.04962	0.6
84.04498	5.3
85.02901	4.4
86.06080	0.9
87.04458	0.8
93.07082	0.6
95.04988	1.0
97.02883	3.7
98.06058	8.3
99.04453	1.7
102.05541	7.1
102.06152	0.8
103.03914	0.6
107.08528	0.6
109.02888	2.0
110.06018	0.5
111.04433	1.0
116.07086	33.4
120.06575	17.9
121.06490	0.6
123.04434	1.6
125.09633	1.0
126.09945	0.6
127.03905	2.8
130.06517	1.8
131.04771	0.5
133.06477	0.5
137.06007	0.9
139.03923	6.2
140.05441	0.8
144.06546	24.3
145.04959	0.7
145.06670	0.5
147.04482	0.6
149.05960	1.0
157.07645	1.4
158.06000	1.5
159.04489	0.6
162.07616	8.4
162.08995	0.6
163.03886	1.4
169.06543	0.5
171.07993	0.5
175.08766	0.8
179.76410	0.5
182.94089	0.6
191.07056	1.0
192.08693	1.0
205.04968	0.6
216.08720	0.9
218.10269	0.6
223.06049	1.8
228.08572	0.8
229.08629	0.5
234.09610	1.0
246.09615	2.4
258.09897	0.7
260.13956	0.7
264.10834	5.0
270.09854	0.7
271.09698	0.7
288.10748	8.1
306.11902	1.2
307.12253	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1182
Annotation	Passiguatemalin
Peak:m/z	Relative Intensity
53.03947	1.5
56.05033	9.4
57.03425	3.4
59.46596	0.7
69.03423	4.2
69.90837	2.3
70.06604	2.1
71.04985	1.4
73.02927	0.8
73.23577	0.5
74.06077	100.0
79.05485	0.8
79.27148	0.6
81.03412	4.2
84.04498	6.0
85.02899	5.9
91.05483	0.9
91.33096	0.6
95.04993	0.7
97.02895	3.7
98.06049	9.4
99.04441	0.9
102.05534	7.5
109.02871	2.4
111.04455	1.9
113.82827	0.6
116.07086	41.2
120.06576	19.7
121.06512	1.1
123.04420	1.7
124.20512	0.6
126.01050	1.5
126.05518	0.8
127.03902	3.4
130.06548	1.6
131.04932	1.9
137.05992	0.9
139.03896	12.8
144.02139	1.2
144.06555	30.0
145.04897	0.9
145.06511	0.9
147.04378	0.7
149.06050	1.0
153.63213	0.7
157.07718	0.9
158.06023	1.5
162.07611	13.0
163.03941	2.0
163.07607	1.0
169.06525	0.9
171.08029	0.7
175.07486	1.4
177.05484	1.0
177.09140	1.2
179.07143	1.0
181.05055	1.2
187.07590	2.1
191.06982	3.1
192.08752	0.9
216.08739	0.7
217.08638	1.2
229.08560	1.2
234.09705	0.8
241.08572	0.8
246.09799	3.0
259.09711	1.0
264.10757	7.6
265.11102	0.8
270.09750	1.8
275.95932	0.6
280.39514	0.8
288.10815	9.3
289.10913	1.2
306.11823	2.9
307.12054	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	31.0
65.07384	17.1
69.07049	48.3
70.06580	27.3
79.05479	22.4
81.07042	40.2
81.55276	13.4
83.08606	35.7
86.32146	14.6
91.05502	15.2
93.07032	15.1
94.39676	14.9
95.08601	21.6
96.44470	13.1
97.06532	23.3
105.65063	15.7
107.08627	20.9
111.08086	18.3
115.07560	47.0
129.09081	37.2
137.05962	22.8
147.02544	15.2
247.07591	20.0
264.07904	22.0
289.17810	27.7
292.07352	35.4
306.17209	16.4
306.26276	75.7
307.09528	100.0
307.15167	28.6
307.18799	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	306.206
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18565	0.2
53.03944	0.3
55.01863	0.3
55.05251	0.2
55.05509	4.0
57.07067	0.4
64.28693	0.2
67.01850	0.2
67.04232	0.4
67.05499	1.3
69.03398	0.2
69.04053	0.2
69.07063	17.6
70.02947	0.5
71.08637	0.2
78.03422	0.3
79.05484	0.3
80.04996	1.0
81.07056	1.4
82.02934	1.2
82.91096	0.2
83.08611	1.2
91.05463	0.4
93.07021	0.5
94.02945	0.9
94.06557	0.5
95.03686	0.4
95.04949	0.3
95.08608	2.0
96.00841	0.5
96.04520	0.2
97.10158	0.7
99.04449	1.6
100.03979	0.5
104.04949	0.2
105.07033	0.2
106.06590	0.2
107.08576	0.5
108.04476	3.0
108.08096	0.2
109.10132	1.2
110.01625	0.2
110.02390	3.3
111.03157	0.8
111.08128	0.2
111.11701	1.8
112.03949	0.4
120.04451	0.3
121.06539	0.3
121.10049	0.4
121.42768	0.2
122.01505	0.3
122.02382	4.9
122.06007	0.8
122.07302	0.3
123.03164	14.2
123.08066	0.3
123.11727	0.4
124.03966	4.0
125.04708	0.3
134.06035	0.5
135.08054	0.3
136.03925	16.0
136.07523	0.3
137.04697	3.5
137.05945	1.2
138.05499	1.0
140.03387	0.3
142.05002	1.2
146.06023	0.2
148.03912	2.8
148.07567	0.4
149.04742	0.9
149.13297	0.2
150.05489	9.5
151.06284	1.2
151.14789	0.4
152.07039	0.3
154.04974	62.1
155.05368	1.5
162.05486	12.6
162.09125	0.4
163.06255	1.3
164.07045	1.2
165.07799	0.7
165.12680	0.2
166.08659	0.3
166.72975	0.2
168.06549	21.2
169.06902	0.8
174.09113	0.3
176.05566	0.4
176.07054	4.6
177.07819	0.2
178.08687	0.3
180.06587	0.8
182.08121	6.1
183.08472	0.2
190.08626	2.2
191.09412	1.3
192.10167	0.6
194.08116	1.6
196.09673	11.6
197.10059	0.5
204.10181	1.8
205.10934	0.4
208.09674	0.7
210.11238	1.1
218.11743	0.9
222.11232	7.7
223.11542	0.4
224.12967	0.9
224.14970	0.2
232.13237	0.3
236.12875	1.4
238.14304	0.5
246.14900	0.6
250.14221	0.3
260.16269	0.3
264.15936	0.5
289.21655	0.2
306.20596	100.0
307.20908	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	306.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	0.1
53.03932	0.1
55.05501	0.2
57.07068	0.2
58.02953	0.3
62.05123	0.1
65.03931	0.2
66.04710	0.3
67.05505	0.4
69.06715	0.1
69.07068	1.5
69.15947	0.4
69.16373	0.3
71.08623	0.1
72.08186	0.1
79.05494	0.8
81.03365	0.1
81.07052	1.0
83.04971	0.1
83.08608	0.2
84.08118	0.1
86.06053	0.2
88.41013	0.1
91.05484	0.7
93.07034	0.6
94.04185	2.7
95.04958	0.1
95.08606	0.5
97.06531	0.5
98.09681	0.1
100.07598	0.4
105.07025	0.3
107.04939	0.4
107.08596	0.7
109.06539	0.4
109.10152	0.7
111.08105	0.2
114.09171	0.7
119.08604	0.1
122.03645	7.3
123.03969	0.2
123.11713	0.1
126.09162	0.3
133.10132	0.7
133.67761	0.1
135.11697	1.2
135.87439	0.1
137.05972	100.0
138.06306	2.8
147.11665	0.1
151.11191	0.4
153.12737	1.3
165.12732	0.2
170.15398	2.6
171.15721	0.1
182.15395	2.3
182.16895	0.2
183.15758	0.1
306.20694	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0812
Annotation	(-)-Epigallocatechin
Peak:m/z	Relative Intensity
50.41507	0.3
53.00305	0.7
53.03942	1.1
55.01860	1.3
55.05496	0.4
57.03419	0.3
65.03931	2.0
67.05487	1.1
68.99786	1.9
69.03432	1.1
70.83756	0.8
71.04979	0.8
73.02918	0.5
74.06066	1.3
75.06402	0.5
79.05481	1.2
81.03423	4.0
81.07039	1.5
83.04968	0.9
84.04507	0.4
84.08122	0.8
85.02910	3.0
91.05478	0.6
93.03397	1.1
93.07014	0.6
94.06551	0.4
95.04955	1.5
97.02892	1.4
99.04428	0.9
103.03933	0.4
103.05441	0.9
105.06997	0.5
107.04983	2.4
108.04504	0.8
109.02905	1.0
109.06542	0.7
109.10161	0.3
111.04449	4.0
115.05460	0.6
116.07053	0.5
117.03362	1.0
117.06973	0.6
119.04915	0.9
119.26713	0.3
121.02886	1.8
121.06493	1.2
122.06053	0.8
123.04415	2.1
125.92807	0.4
127.03889	2.0
127.07566	0.8
128.00806	0.5
128.06200	0.5
129.06984	1.0
130.06532	5.2
131.04942	3.1
132.04448	1.3
133.02861	1.3
135.04399	3.5
137.05972	1.4
138.05518	0.5
139.03899	100.0
140.04221	2.0
140.07079	1.0
141.06960	0.6
145.02841	0.9
145.06490	1.3
146.06018	1.4
147.04398	1.5
148.05157	0.4
149.06000	1.9
151.03903	4.0
151.07515	1.0
151.11209	0.8
152.78928	0.3
153.01772	0.5
153.05464	1.2
155.03426	0.9
155.08502	0.5
157.06468	1.1
157.07634	3.5
158.06018	5.2
159.04427	3.2
160.05170	0.7
161.05922	0.6
163.03922	10.4
163.07596	1.1
163.54671	0.3
165.05539	0.6
167.06976	0.5
168.06610	0.6
169.04973	2.2
169.06403	0.6
171.08038	0.4
173.05959	0.6
174.51083	0.4
175.07402	2.3
175.08873	1.9
176.04643	0.6
177.05489	3.8
177.09117	1.3
179.07036	1.1
181.04962	4.8
181.06454	0.7
181.08585	0.8
182.05428	0.5
183.08118	0.6
185.06032	0.4
186.06757	0.5
187.07535	1.8
189.09129	0.6
191.07021	4.2
195.06488	2.8
199.07481	0.5
201.05241	0.4
201.09108	0.8
203.06927	0.4
205.04996	0.8
205.08643	0.6
209.08044	0.5
211.07590	0.6
213.09026	0.7
215.06931	0.4
215.10674	0.4
217.08615	0.9
223.06055	1.1
227.06856	0.5
228.08093	0.4
229.08617	1.6
243.10107	0.4
245.08112	0.6
245.12817	0.3
247.05910	0.4
247.09720	0.4
259.09644	1.1
261.08780	1.6
270.28882	0.4
271.09671	0.7
289.07513	0.7
289.10959	1.1
307.08228	1.4
307.12314	1.2
307.16479	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.081
Annotation	(-)-Epigallocatechin
Peak:m/z	Relative Intensity
50.97012	0.2
53.00308	0.8
55.01864	0.6
57.50536	0.2
62.78901	0.2
65.03931	1.2
67.05494	0.6
68.99791	1.1
70.34807	0.6
80.61459	0.2
83.04980	0.4
89.03894	0.2
93.03410	0.8
95.04981	1.3
97.02878	0.4
99.04396	0.2
103.05500	0.2
107.04959	1.4
111.04464	1.6
117.03410	0.4
121.02853	0.9
123.04436	1.0
127.03922	0.7
131.04892	1.1
133.02820	1.4
135.04398	3.3
139.03897	100.0
140.04230	2.6
145.02748	0.4
147.04382	0.3
149.06003	0.7
151.03908	3.4
153.01790	0.5
153.05466	1.0
159.04436	2.4
163.03897	9.8
167.07021	0.4
169.04964	1.5
177.05473	3.3
177.57549	0.2
181.04953	5.3
185.21217	0.2
187.03969	0.2
195.06516	3.3
201.05447	0.3
205.04982	0.7
223.05984	1.3
247.05936	0.7
270.64658	0.2
289.07001	0.7
307.08154	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0811
Annotation	(-)-Epigallocatechin
Peak:m/z	Relative Intensity
52.96685	0.2
55.01861	0.7
55.05499	0.4
64.85576	0.2
65.03933	1.0
67.05511	0.5
68.99787	0.8
69.03410	0.6
69.66995	1.1
71.04978	0.3
74.06084	0.5
76.02222	0.6
81.03388	0.5
81.06975	0.2
83.04960	0.7
84.04507	0.5
84.08129	0.8
85.02899	0.8
93.03403	1.8
95.04964	0.6
97.02881	1.0
100.07620	0.2
101.75705	0.2
107.04951	0.6
111.04439	6.1
113.73092	0.2
115.29695	0.2
121.02839	0.5
123.04423	2.1
123.80077	0.2
127.03905	1.4
130.06496	0.3
131.04913	0.5
133.02827	0.3
135.04414	3.3
137.02348	5.8
137.03360	0.4
139.03891	100.0
140.04216	2.8
141.68056	0.2
145.06526	0.4
146.05978	0.8
146.08087	0.4
149.05963	0.6
151.03885	3.7
153.05443	0.4
157.06419	0.3
157.07585	0.4
158.05986	0.4
159.04379	0.6
163.03903	3.1
164.08301	0.3
169.04950	0.4
173.05884	0.4
175.07513	0.3
177.05475	0.9
181.04875	1.5
191.07062	0.3
195.06564	0.6
205.04984	0.2
205.08667	0.4
207.06441	0.3
215.06848	0.3
215.13937	0.3
223.06052	0.4
233.04381	0.4
243.06602	0.2
243.16978	0.3
247.05823	0.3
251.09067	0.4
261.07523	1.8
279.73563	0.2
289.07031	5.3
307.12628	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1288
Annotation	Brachystemidine B
Peak:m/z	Relative Intensity
50.60956	0.4
55.01871	2.2
57.03439	0.5
67.05481	0.4
69.03417	1.0
69.07074	0.4
71.04978	0.7
71.13587	0.7
74.06067	0.5
79.05500	1.2
81.03422	1.3
81.07058	0.7
85.02897	1.6
91.05464	0.8
93.07030	1.1
94.06607	0.4
95.04947	0.8
95.08608	0.5
96.04492	0.8
97.02901	0.8
98.06055	0.9
98.75612	0.4
99.04452	1.1
103.03940	0.9
105.07028	0.8
107.08585	1.8
108.04483	1.3
108.08126	0.5
109.02861	1.0
110.06043	0.5
113.06055	0.3
115.05466	0.4
117.05495	1.0
117.07066	0.5
119.08521	0.6
122.06047	2.5
123.04447	0.9
124.07603	0.9
127.03933	1.6
129.06956	0.6
133.06508	0.7
135.04451	0.4
135.08054	2.4
135.09010	0.4
136.07588	1.5
138.05489	0.7
139.03947	0.9
140.07031	1.8
145.04985	0.5
145.06519	0.5
145.10080	0.4
146.06021	1.0
146.09709	0.6
148.07582	0.5
150.09181	0.5
153.05478	0.5
156.08093	0.7
157.06483	0.5
159.08081	0.5
160.07553	2.3
162.09145	0.7
163.03920	0.6
163.08688	1.2
164.07040	0.7
168.06575	1.6
170.05931	0.5
170.09692	0.5
173.10878	0.5
174.09167	2.8
176.07088	0.6
176.10767	0.4
177.08958	0.5
177.10228	1.8
178.08635	15.0
179.09052	0.5
182.08243	1.0
183.06786	0.5
184.07603	2.3
186.09212	0.7
187.08679	1.3
188.07104	3.3
189.10242	0.6
191.08185	1.2
196.09587	0.4
198.09207	2.1
201.06651	1.2
201.10310	4.0
202.08652	5.3
204.10188	0.7
205.09882	3.3
206.08133	2.9
211.09676	0.4
212.07089	0.9
215.08197	0.6
215.11845	0.9
216.10262	3.2
219.07716	1.5
219.11292	4.7
220.09605	2.3
220.65466	0.3
223.09604	0.8
225.10330	0.6
226.08661	2.6
227.07053	0.4
229.09785	4.8
230.08179	4.4
230.10306	0.7
243.11348	2.2
244.09677	3.7
246.10475	0.4
247.10789	11.3
248.09172	0.9
254.08194	0.9
261.12222	1.2
262.10748	1.3
265.11856	12.8
266.12085	1.0
271.10782	1.4
272.09158	1.6
289.11844	15.9
307.12878	100.0
308.13287	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	307.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96425	0.4
54.12851	0.4
56.05029	2.1
58.06600	4.0
62.88975	0.4
69.07078	0.6
70.06603	0.4
70.36045	0.7
70.36403	1.0
71.03709	0.4
74.06098	0.4
76.85115	0.3
81.07066	0.4
84.04501	23.8
84.08138	100.0
85.01141	0.4
85.02866	0.6
85.08457	2.1
86.06065	6.8
86.09707	5.6
88.04005	0.8
96.04499	0.6
98.09713	0.5
102.05566	0.5
102.09172	0.6
112.61842	0.4
121.03003	0.4
123.04437	0.6
127.03899	0.5
128.99043	0.4
130.06531	0.7
130.08612	1.2
139.03885	5.7
140.03439	0.7
141.13864	6.6
147.40527	0.3
151.93156	0.4
155.03433	0.4
163.03860	0.7
169.13348	9.7
175.08752	0.4
181.04883	0.5
194.66107	0.3
198.11211	2.1
215.13902	34.9
216.14256	1.3
243.17024	49.1
244.17491	1.9
261.16248	0.6
262.10922	2.9
266.17688	0.4
303.83701	0.4
307.16809	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	307.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07572	2.6
53.03949	17.9
55.01620	5.0
55.01871	57.9
55.05510	52.3
57.03429	7.9
57.07045	3.4
65.03926	3.1
67.05502	76.5
69.03429	3.5
69.07067	46.9
71.03103	2.5
71.04971	4.0
75.02493	2.8
75.19817	2.7
79.05048	5.1
79.05491	82.4
81.03407	28.7
81.07053	100.0
83.04983	17.2
83.08612	25.2
85.06541	3.7
91.04932	6.0
91.05471	53.4
93.07040	70.4
95.01310	3.3
95.04971	16.6
95.08604	48.5
97.06527	96.6
97.10169	28.3
105.07027	72.2
107.04945	39.0
107.08593	62.0
107.09265	4.7
109.06498	18.4
109.10156	21.2
111.08083	6.6
117.07018	18.1
119.08565	42.9
121.06516	7.8
121.10135	21.8
123.04428	2.8
123.08063	11.8
123.11686	5.4
125.09624	33.2
129.07040	7.0
131.08565	32.2
133.10124	39.3
135.08041	14.6
135.11693	13.6
137.09607	6.5
139.07504	4.0
143.08604	5.3
145.10100	18.8
147.11723	16.5
149.09612	51.7
149.13199	5.9
151.11192	7.5
153.09100	9.7
157.10159	5.8
159.11659	20.5
161.13269	8.4
163.11179	11.1
163.14836	4.0
165.09119	3.8
169.10057	4.2
171.11693	4.8
173.13298	7.1
175.11206	4.4
177.12709	14.8
179.14337	12.4
181.12474	3.0
185.13342	5.4
187.11198	6.9
187.14861	3.2
191.14395	4.3
201.12720	3.4
201.16408	3.9
202.13220	2.7
203.12733	31.6
203.14372	4.5
219.17462	37.8
229.19479	5.9
233.15504	4.0
239.17868	3.6
247.20496	5.1
257.18958	17.4
275.20071	93.8
276.20383	6.2
289.18015	3.5
300.43631	3.4
307.22726	34.4
307.26141	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	307.2266
Annotation	Wyethic acid
Peak:m/z	Relative Intensity
53.03945	5.7
55.01878	14.1
55.05258	2.6
55.05511	33.5
57.03440	5.9
57.07072	6.4
59.04994	4.1
64.52700	1.6
65.03947	5.3
67.05504	76.3
67.51553	1.6
69.03426	4.3
69.07067	25.8
69.20777	3.5
69.21185	9.9
71.04987	19.7
73.06570	2.6
77.03960	1.8
79.05492	68.8
81.03414	7.6
81.07056	100.0
82.07403	1.8
83.04979	24.1
83.08620	14.1
85.06533	10.4
87.99940	1.5
91.05478	58.5
93.07040	49.3
93.07607	3.5
94.07345	1.7
95.04980	23.5
95.08604	57.1
97.06530	25.6
97.10168	7.1
99.08102	3.8
105.04537	2.7
105.07025	51.5
107.04984	6.8
107.08590	27.6
109.06511	31.9
109.10152	13.7
110.06913	1.9
111.04450	5.7
111.08074	10.5
113.09645	1.5
117.07030	12.3
119.08572	33.5
121.06514	4.8
121.10141	19.3
122.10341	1.7
123.08069	51.3
123.11692	8.0
125.09635	4.5
129.07016	4.9
131.08574	19.9
133.10121	19.3
135.08041	4.2
135.11662	11.1
137.06001	6.6
137.09604	14.9
138.06319	2.9
143.08557	4.8
145.10144	12.4
147.11674	22.9
149.09618	6.0
149.13286	4.5
151.11139	11.1
152.00729	1.5
156.09361	1.7
157.10161	4.7
159.11703	7.8
161.09644	1.8
161.13287	11.2
163.11198	5.0
163.14902	1.7
165.12756	4.9
171.11749	4.8
173.13275	5.7
173.68059	1.7
175.11200	2.2
177.12700	2.2
179.14250	4.4
183.11681	4.1
185.13246	2.2
187.14789	2.8
189.12703	2.8
193.15912	2.7
195.11876	1.7
207.13853	2.9
211.14822	3.3
213.16206	2.2
215.14406	2.2
236.04256	1.5
239.17992	3.8
251.18330	2.0
257.19043	6.8
263.20047	2.8
275.20023	17.2
289.18015	6.4
289.21600	9.6
307.09744	2.5
307.13019	3.0
307.19266	3.8
307.22690	38.3
308.23050	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2267
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03941	5.4
55.01867	6.0
55.05509	23.8
57.03418	2.3
57.07069	4.3
59.05000	4.0
65.03925	3.1
67.05506	35.7
69.03439	2.8
69.07069	18.3
70.61421	1.5
71.04990	13.5
71.31658	1.8
73.06568	1.7
79.05047	2.6
79.05492	37.7
81.03410	4.0
81.07053	42.3
81.07516	3.3
83.04974	5.0
83.08629	11.0
84.39046	1.3
85.06548	5.2
87.04459	4.3
88.00629	1.3
88.08202	1.5
91.05472	44.1
93.07042	37.8
94.07401	1.7
95.04977	7.7
95.08601	27.4
97.06512	11.1
97.10189	7.6
99.08068	3.1
103.05458	2.9
105.07022	52.0
106.07333	1.5
107.04935	7.5
107.08589	27.4
109.02898	2.0
109.06523	22.4
109.10145	18.9
111.08076	5.0
115.72419	1.6
117.07006	13.5
119.08571	36.3
120.08938	2.2
121.02883	2.3
121.06490	12.7
121.10139	16.3
123.08060	17.5
123.11705	6.5
125.02411	2.0
125.06013	2.0
125.09615	7.6
129.07016	3.4
131.08553	17.4
133.06494	4.8
133.10123	27.8
134.10503	1.7
135.08055	9.8
135.11711	8.0
137.06020	2.0
137.09598	9.8
138.11447	1.5
139.11230	2.5
141.06911	2.0
143.08578	4.8
145.10098	16.7
147.08044	3.1
147.11685	21.4
149.06032	1.9
149.09593	10.1
149.13271	4.6
151.07545	4.6
151.11174	16.6
155.08563	4.7
157.10146	5.1
159.08089	3.0
159.11691	12.3
161.09622	3.8
161.13258	5.7
163.07574	3.8
163.11192	11.3
163.14857	2.1
165.12755	10.8
169.10155	4.1
171.11754	6.4
173.09691	1.8
173.13234	7.7
175.07651	1.6
175.11191	2.8
177.12733	4.4
179.14282	4.5
183.11586	3.1
185.13371	1.9
187.11205	2.7
187.14763	2.4
189.12683	2.2
190.07724	1.7
191.14369	2.5
193.12222	3.4
197.13245	5.7
205.12286	2.1
215.14334	1.8
215.17932	2.0
219.13875	3.8
229.15878	1.8
229.19519	4.5
230.98158	3.2
233.08028	1.9
233.15466	3.2
236.08281	2.3
237.14792	2.2
239.17935	10.7
243.17296	2.3
247.20511	4.3
249.05405	1.5
249.09047	1.7
249.18481	2.1
257.19031	9.5
258.25327	1.4
260.99228	2.0
261.18457	2.2
264.07816	6.1
271.16937	2.5
275.07080	2.0
275.20053	56.3
276.20374	5.0
279.10010	2.2
289.14862	2.6
289.17938	13.3
289.21448	4.3
292.07285	6.4
302.03879	1.8
307.04550	1.8
307.09723	20.2
307.15411	3.5
307.18924	21.0
307.22672	100.0
307.26334	3.4
308.23041	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	307.263
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
52.87353	1.4
53.03949	4.2
55.01870	4.0
55.05514	23.9
57.07079	9.1
57.95783	1.5
58.75841	1.4
59.05005	2.2
65.03943	2.2
67.05167	1.8
67.05509	25.7
69.03439	8.8
69.07068	73.3
70.07407	1.4
71.05002	8.1
71.08624	2.9
71.31833	2.0
73.06544	2.1
79.05492	21.0
81.03429	5.2
81.07057	100.0
82.07374	3.9
83.04971	6.6
83.08620	18.7
85.02893	1.7
85.06555	8.6
91.05478	17.0
93.07043	50.3
94.07338	1.8
95.04990	8.7
95.08604	59.3
97.02891	1.7
97.06525	9.3
97.10170	6.0
99.04460	2.7
99.08073	3.0
100.96868	1.4
105.07027	64.9
107.04950	3.5
107.08597	43.0
109.02879	2.3
109.06511	11.2
109.10157	33.0
111.04429	2.3
111.08120	7.8
111.11710	15.0
115.05466	1.5
117.07012	3.6
119.08580	32.0
120.08927	1.4
121.06519	2.6
121.10139	60.2
123.08076	4.5
123.10806	1.8
123.11710	37.0
125.02344	1.9
125.05978	2.1
125.09618	5.4
127.03944	2.6
129.07011	1.7
131.08574	3.6
133.06454	1.9
133.10121	6.4
135.08052	5.2
135.11685	19.6
137.05965	3.0
137.09622	4.7
137.13222	12.1
139.03882	2.8
139.11166	11.9
143.08597	2.6
145.10110	7.1
147.07994	2.2
147.11688	33.6
149.09708	2.2
149.13280	11.6
151.11157	6.1
153.09010	2.2
153.12755	11.3
155.21057	1.9
159.07806	2.0
159.11649	4.5
161.13252	3.3
163.07578	3.3
163.11148	4.0
163.14853	2.1
165.12747	46.8
167.10765	1.7
167.14339	4.4
173.06035	1.5
173.13261	2.6
175.14883	2.6
177.16409	3.8
187.14822	1.9
189.16341	3.5
191.06999	2.6
191.08571	1.9
201.16493	2.0
203.10645	1.7
207.17581	1.9
215.17885	2.3
219.08224	2.0
231.54485	1.5
235.07529	1.8
243.10202	1.9
247.07654	1.9
261.11438	2.2
263.06958	1.7
264.07745	5.0
271.17090	1.6
271.24176	3.6
277.25281	2.5
289.10657	6.5
289.14066	2.2
289.17917	2.5
289.25198	17.7
290.25372	2.3
292.07349	3.9
293.96170	1.5
307.09558	17.1
307.12531	1.8
307.15894	1.9
307.19104	5.1
307.22980	2.7
307.26315	41.6
308.10086	2.8
308.26514	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	307.263
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03949	4.5
54.69861	1.5
55.01884	2.9
55.05512	24.5
57.03433	3.0
57.07080	8.1
57.28368	1.6
65.03949	3.4
67.05505	28.0
69.03436	12.9
69.07069	65.9
69.07455	3.1
70.47450	3.5
71.04993	9.1
71.08635	2.3
73.06572	2.2
79.05491	23.6
81.03424	6.7
81.07056	100.0
82.07407	2.0
83.04990	6.3
83.08614	19.0
85.02887	2.7
85.06541	11.7
91.05479	19.7
93.07043	56.2
94.07363	1.6
95.04971	7.2
95.08606	58.8
97.02870	1.9
97.06525	10.3
97.10184	4.9
99.04469	3.0
99.08116	2.2
103.03972	2.1
105.07028	66.6
106.07292	1.8
107.04932	2.2
107.08593	40.7
109.02867	3.8
109.06523	11.9
109.10150	34.7
111.04461	2.6
111.08086	8.3
111.11713	14.0
117.07030	4.5
119.04905	1.6
119.08574	27.8
121.06492	5.0
121.10149	52.8
122.10484	2.2
123.08076	6.2
123.11708	45.4
125.02297	2.1
125.05959	2.4
125.09624	5.1
127.07580	1.9
129.06989	2.9
131.08556	4.8
133.10144	7.4
135.08038	8.5
135.11702	17.6
137.06010	3.3
137.09627	5.0
137.13231	10.5
139.11188	12.2
145.06438	1.9
145.10124	8.7
147.08124	1.9
147.11673	32.8
149.09537	2.0
149.13235	9.8
151.07542	2.9
151.11182	5.9
151.14848	2.2
153.09081	3.1
153.12715	9.4
157.10141	3.7
159.11736	5.1
161.13280	4.4
163.07561	3.1
163.11195	3.5
163.14813	2.8
165.12759	45.7
166.12933	1.9
167.07137	1.6
167.14331	5.8
173.09663	1.7
173.13336	3.1
175.07535	3.0
175.14854	3.6
177.09117	2.1
177.12807	1.8
177.16451	3.7
183.13799	2.2
187.07588	1.7
187.14798	3.5
191.06958	2.2
191.10660	2.4
193.08707	1.7
201.16457	2.3
215.10747	3.1
215.18083	1.8
219.06497	4.5
219.10155	2.3
243.10094	3.7
247.07594	2.9
247.13379	1.9
261.11295	4.5
263.07047	2.6
264.07828	6.6
271.13449	2.1
271.16788	1.8
271.24200	4.3
277.25452	2.4
279.10104	2.1
289.10950	9.6
289.14005	1.8
289.18146	2.1
289.21912	3.1
289.25150	22.3
292.07355	7.7
292.10770	3.0
301.74951	1.5
307.09390	14.4
307.11740	2.5
307.15396	3.4
307.18982	3.2
307.22928	3.3
307.26300	44.6
308.09796	2.1
308.26596	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	307.2629
Annotation	Crinitol
Peak:m/z	Relative Intensity
53.03935	2.7
54.77539	1.0
55.01867	2.1
55.05261	1.5
55.05510	24.2
57.03423	2.7
57.07082	7.3
59.04995	2.2
65.03944	2.1
66.51470	0.8
67.05506	32.1
69.03417	3.2
69.07068	41.3
69.96944	0.7
70.06602	4.5
70.07405	1.1
70.78542	1.6
71.04991	8.3
71.06941	1.7
71.08617	2.3
76.02225	1.4
79.05496	22.3
80.05883	1.5
81.03406	3.2
81.07057	100.0
82.07375	2.6
83.04999	6.2
83.08622	12.7
85.02889	1.6
85.06535	5.2
85.79355	0.9
88.07631	2.6
89.07986	0.9
90.59386	0.9
91.05486	13.4
93.07046	46.9
94.07349	2.4
95.04976	7.7
95.08609	64.5
96.08959	1.4
97.06535	7.8
97.10169	9.5
98.97587	1.5
99.08080	3.0
101.05990	2.0
102.09208	0.9
105.06350	1.3
105.07037	19.3
105.07721	1.4
107.04944	1.5
107.08595	38.3
109.02878	2.6
109.06525	5.2
109.10159	39.1
111.08105	9.1
111.11727	5.4
113.09632	1.1
115.05492	1.2
115.07600	1.1
117.07043	2.1
119.08590	12.0
121.06543	3.1
121.10146	25.3
123.08094	4.3
123.11711	25.5
125.09638	3.6
125.13294	1.1
127.11171	1.2
129.07033	1.4
131.08548	3.7
132.10179	1.8
133.10118	10.8
135.08054	3.1
135.11699	17.6
137.09622	3.6
137.13243	8.2
139.03896	1.4
139.11177	5.9
141.09137	1.3
145.10103	5.0
146.11725	0.9
147.11661	10.2
149.06020	0.8
149.09598	1.4
149.13260	25.2
150.13553	1.0
151.07552	0.8
151.11212	9.5
151.14809	1.7
153.12744	2.1
159.11693	5.7
161.09691	0.9
161.13266	7.2
163.07561	1.2
163.11186	2.4
163.14830	8.1
165.12796	5.8
167.14299	0.9
173.13243	2.3
175.07526	0.9
175.14812	4.2
177.12767	1.5
177.16411	3.9
179.08549	1.1
179.14304	2.3
187.14803	1.5
189.09161	1.4
189.16418	2.7
191.08507	1.1
191.17947	2.8
200.20137	1.8
201.16434	1.6
201.20430	4.1
203.18057	1.8
205.06557	0.9
215.17934	2.0
219.07985	2.5
221.05905	0.9
223.85675	0.9
233.06000	1.1
235.07616	0.9
236.08418	1.3
245.23036	9.3
247.07520	3.3
249.05495	3.9
263.06973	2.1
263.23694	1.5
264.07767	5.5
265.08762	1.1
271.24103	4.7
275.07120	2.2
277.05154	1.2
289.14014	1.0
289.17996	2.6
289.25211	9.3
292.07315	6.9
307.09622	28.9
307.15179	1.8
307.26483	68.1
308.10019	3.9
308.26740	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	307.2631
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
51.02371	0.7
53.03941	2.2
55.01873	2.4
55.05513	21.6
57.01467	0.7
57.03435	3.4
57.07080	8.7
59.05001	5.2
65.03945	2.4
67.05505	34.2
69.03424	3.8
69.07070	41.8
70.07386	1.0
70.88120	0.9
70.88457	1.1
71.04996	5.5
71.08614	2.0
73.06555	0.8
76.02231	0.8
79.05495	20.6
79.05952	1.1
81.03424	4.2
81.07057	100.0
81.50874	0.6
82.07373	2.5
83.04990	4.4
83.08621	16.4
84.04529	0.7
85.02908	3.0
85.06555	3.3
87.04483	1.3
91.05478	16.6
93.07045	35.2
94.07368	0.7
95.04971	7.1
95.08607	89.0
95.37348	0.7
96.08957	2.1
96.36539	0.7
97.06520	7.6
97.10173	8.9
99.08094	1.7
103.05442	1.3
105.04489	0.9
105.07030	15.7
107.04987	3.4
107.08592	26.0
108.08957	1.1
109.02887	1.6
109.06524	6.0
109.10155	41.3
110.10527	1.0
111.08086	5.9
111.11718	5.4
113.06012	1.4
115.05437	0.9
115.07552	0.7
117.07011	4.1
119.08580	12.7
120.08909	0.7
121.06476	4.0
121.10138	22.0
122.10452	1.3
123.04389	1.0
123.08087	3.6
123.11709	21.9
125.09651	3.7
128.06166	0.7
129.07047	2.2
131.08556	4.2
133.10126	8.6
135.04393	0.9
135.08070	2.9
135.11696	13.9
137.05898	0.8
137.09613	2.7
137.13251	24.8
138.13593	1.4
139.03906	1.2
139.07613	1.0
139.11174	5.3
141.06953	1.0
143.08618	1.6
143.23650	0.7
145.06450	1.0
145.10135	4.7
147.08086	1.3
147.11687	5.1
149.09616	3.2
149.13264	14.0
150.13582	0.9
151.11186	2.7
151.14824	6.4
153.12744	1.8
159.08076	1.6
159.11681	6.4
161.09642	0.9
161.13286	4.5
163.03851	1.2
163.07515	1.5
163.11177	3.0
163.14822	3.0
165.07037	0.8
165.12801	1.5
167.10686	1.2
167.14381	1.8
171.11679	1.4
173.09630	1.3
173.13274	2.9
175.14827	2.7
177.12802	0.9
177.16382	2.6
179.14337	2.0
179.17902	0.9
183.11621	1.1
187.14883	1.7
189.16377	1.7
190.07784	1.0
191.08592	1.7
191.10588	0.7
195.13820	1.4
197.13101	0.9
201.16434	1.1
203.17957	1.0
205.06511	1.5
205.08490	0.8
205.15901	0.9
209.19066	1.1
215.17955	2.7
217.30873	0.8
218.07318	1.7
219.08160	3.4
219.17244	1.0
223.16893	1.6
229.06479	1.4
233.15262	1.4
233.18950	0.9
236.08160	0.9
237.18513	2.1
243.17523	1.2
245.22910	0.8
246.06818	1.6
247.07504	5.3
249.05464	3.9
261.09097	0.7
261.15073	0.8
261.18350	1.1
261.25629	1.0
263.06961	2.8
264.07840	6.6
265.08496	2.2
271.16812	1.3
271.24237	3.2
275.07007	3.6
276.07437	1.0
277.04929	1.3
289.11438	0.8
289.18011	4.3
289.25146	5.7
292.07364	7.6
293.07794	1.5
307.05988	1.5
307.09613	25.8
307.15381	1.5
307.18979	5.5
307.22705	1.4
307.26324	22.4
308.10013	3.0
308.19437	0.8
308.26648	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.0
55.01873	1.4
55.05508	6.9
57.03448	1.1
58.99585	0.9
61.02921	1.5
65.03944	2.7
67.05502	1.6
69.03426	6.8
70.06597	2.2
71.04967	0.8
71.31545	1.3
71.31943	0.9
75.03096	0.7
75.04445	0.8
76.02223	3.9
79.05486	1.0
81.03414	5.3
81.07021	0.8
82.06577	1.0
83.04984	25.6
84.04500	3.0
84.08163	2.0
85.02904	12.2
94.71010	0.8
95.04959	4.1
97.02904	4.1
97.24811	0.9
97.64338	0.8
99.04486	1.7
100.07605	6.0
102.25129	0.7
107.04978	1.2
109.02878	6.5
110.06053	2.3
111.04440	100.0
112.04794	3.4
116.01691	1.7
123.04481	2.3
127.03962	3.4
128.07076	2.8
129.05446	1.2
130.61632	0.8
139.03897	16.5
140.04236	15.5
141.01830	0.9
145.04974	3.3
146.06006	40.0
146.07947	5.1
147.04497	1.4
147.06372	1.9
149.05930	1.6
153.01816	1.4
162.02208	1.5
169.04991	2.1
177.05478	1.0
179.04843	2.0
222.43149	1.0
248.05643	0.9
255.08609	2.8
309.10699	2.9
309.14261	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2219
Annotation	Dihydrocapsaicin
Peak:m/z	Relative Intensity
53.03948	0.3
54.20378	0.2
55.05499	0.6
57.07061	0.9
58.02958	0.3
58.73007	0.2
66.04706	0.2
67.05496	1.4
68.32893	0.2
69.07064	1.4
69.21849	1.8
71.03030	0.2
71.08636	1.2
79.05494	1.5
81.07055	3.1
83.08604	0.4
85.06548	0.2
88.07625	0.3
91.05476	1.0
93.07034	0.7
94.04174	2.4
95.04955	0.3
95.08582	1.3
97.10133	0.3
99.08065	0.5
105.07030	0.5
106.44672	0.2
107.04929	0.4
107.08585	0.5
109.06503	1.0
109.10172	0.4
111.11720	0.2
114.09132	0.3
119.08586	0.3
121.10108	0.4
122.03639	7.3
123.08041	0.4
128.10704	0.3
133.10159	0.4
135.11665	0.6
137.05971	100.0
137.13235	0.4
138.06300	2.7
140.50119	0.2
155.14297	0.4
165.12726	0.9
172.16960	1.3
173.11653	0.3
184.16934	2.3
193.15892	0.3
197.13182	0.3
291.19827	0.4
291.23099	2.9
308.18869	0.2
308.22333	0.5
308.25864	0.7
324.61728	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.9
55.01874	0.8
55.05508	2.7
57.03180	0.8
57.03439	12.6
58.01034	0.5
59.04999	1.0
61.02917	2.0
65.03934	0.5
67.05511	1.0
68.99806	0.6
69.03423	2.8
69.45675	1.1
69.46085	1.7
70.06602	3.1
71.01363	1.8
71.04992	31.1
72.08146	2.1
73.02917	5.2
74.70650	0.5
75.04094	0.7
75.04486	10.8
81.03414	2.1
83.04977	6.3
84.08156	0.6
85.02904	100.0
86.03247	1.4
87.04465	2.7
91.05482	2.3
93.07040	1.1
95.04968	0.8
95.08631	0.6
97.02882	4.4
97.07635	1.4
99.04468	2.1
101.06001	1.4
103.03935	1.0
109.02898	1.6
110.09684	0.6
111.04433	3.0
112.08717	0.9
114.10286	9.7
119.04932	3.4
127.03934	3.2
129.05476	19.8
138.09126	0.6
144.51605	0.5
145.04967	1.2
146.06010	19.3
147.04494	12.7
147.06398	34.3
148.06711	0.7
152.14352	1.4
153.01846	1.2
165.05460	1.2
171.06458	0.6
177.05531	0.6
184.97847	0.5
207.06418	0.6
211.19185	1.4
265.23898	1.6
277.08865	0.6
291.08612	0.6
301.46271	0.6
309.11285	1.3
309.26938	0.5
312.58487	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.5
55.01866	1.3
55.05504	3.3
57.03436	12.4
59.04991	1.5
61.02932	2.9
67.05502	0.9
69.03423	4.3
70.06573	0.3
70.74120	0.5
70.74430	0.4
71.01357	2.0
71.04990	33.5
72.05322	0.5
73.02914	4.8
73.06538	0.5
75.04478	12.3
76.12547	0.4
79.05443	0.4
79.30965	0.3
81.03418	2.3
81.07053	0.5
83.04977	7.9
85.02901	100.0
86.03233	1.5
87.04471	2.4
91.05471	0.7
95.04964	0.8
97.02887	5.3
99.04478	2.0
100.02197	1.0
101.06015	1.4
103.03954	1.2
107.05017	0.5
109.02861	1.8
111.04438	4.5
114.10281	0.6
120.10311	0.4
121.02843	1.3
123.04375	0.5
127.03909	3.3
129.05473	21.7
130.05777	0.7
137.05978	0.6
138.09169	0.4
145.04944	2.0
146.02682	1.5
147.04405	1.0
147.06516	12.4
151.03922	0.6
152.07059	0.5
153.01868	0.6
163.06001	0.5
165.07590	0.5
169.04784	0.4
171.06474	0.7
179.11824	0.8
208.02974	0.4
215.88525	0.4
255.08664	0.6
309.14420	1.0
310.14664	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.01870	0.8
55.05301	0.4
55.05513	3.2
57.03437	10.6
59.04996	1.2
61.02918	1.9
64.27029	0.4
67.05502	0.8
69.03429	4.7
69.07072	0.7
70.06570	0.6
70.93285	0.4
71.01340	2.0
71.04991	28.5
71.32083	0.8
72.05326	0.6
72.08167	0.5
73.02916	4.7
73.06540	0.5
75.04478	12.8
79.05475	1.1
81.03413	2.4
81.07040	0.7
83.04972	6.1
85.02903	100.0
86.03232	2.1
87.04469	2.7
91.05482	1.1
93.07030	0.7
95.04952	0.9
97.02888	5.8
97.06559	0.5
99.04469	1.9
100.28516	0.4
101.06013	1.5
101.92175	0.4
103.03945	1.7
105.03402	0.6
105.07070	0.5
109.02876	2.4
109.06524	0.5
111.04439	3.4
114.10306	1.3
119.04965	0.8
123.04379	0.5
125.02322	0.4
127.03905	4.1
129.05478	20.7
135.04404	0.7
137.05946	0.7
138.09081	0.7
145.02863	1.4
145.04962	1.3
145.06358	0.4
147.04543	2.7
147.06517	11.7
147.24049	0.4
159.06548	0.6
163.03865	0.7
165.09149	0.6
171.06549	1.3
177.05449	2.5
195.06702	0.6
255.08578	0.7
309.08795	0.9
310.12213	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.118
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03548	0.6
53.03951	0.7
54.85773	0.6
55.01888	1.0
55.05508	2.9
55.42952	0.6
56.85497	0.6
57.03436	10.1
59.04998	0.9
61.02933	1.9
67.05515	1.2
69.03432	4.9
69.07060	1.0
70.06596	0.8
70.56335	1.5
70.56676	0.6
71.01349	1.7
71.04996	30.6
73.02911	5.0
75.04484	10.2
79.05500	0.8
81.03424	1.9
81.07059	0.9
83.04987	7.7
84.08135	1.3
85.02906	100.0
86.03255	1.6
87.04470	2.6
90.81032	0.6
91.05478	1.1
93.07030	0.6
95.04984	1.1
95.08601	0.7
97.02904	5.4
99.04473	1.8
101.06030	1.3
102.17420	0.5
103.03936	1.6
107.04961	1.2
107.08586	1.3
107.59357	0.6
109.02879	1.6
109.06546	0.7
111.04420	2.8
119.04938	1.2
123.04478	1.1
127.03896	3.8
129.05479	20.0
135.04359	0.7
139.03879	1.0
145.04932	2.0
147.04460	3.3
147.06517	10.8
147.07726	1.0
148.83873	0.6
153.01793	1.0
171.06549	0.8
173.05956	0.6
185.04297	0.8
207.76692	0.6
237.07439	0.6
243.17142	0.8
245.12772	1.0
291.13498	3.6
294.08804	1.2
309.09351	25.6
309.14371	2.0
310.09604	1.9
310.12885	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
55.01867	1.0
55.05514	3.0
57.03437	12.0
58.23151	0.5
59.04995	1.0
61.02917	2.0
67.05506	1.4
69.03430	4.0
69.07068	0.8
69.36237	3.6
69.36575	0.7
71.01340	2.2
71.01686	0.5
71.04993	32.5
72.01689	0.4
72.05325	0.8
72.08148	0.5
73.02924	5.5
75.04480	11.9
79.05499	0.5
81.03409	2.8
83.04982	6.3
85.02903	100.0
86.03227	1.5
87.04473	2.3
91.05457	0.6
93.66729	0.5
95.04970	1.2
97.02895	4.4
97.06531	0.9
99.04465	1.8
101.06030	2.0
103.03932	1.6
105.97578	0.5
109.02897	1.5
111.04464	3.7
112.49402	0.5
114.10300	1.4
119.04902	0.6
119.33224	0.6
123.04409	0.8
127.03899	3.5
129.05484	21.6
145.02850	0.7
145.04947	1.3
147.04405	1.5
147.06514	11.6
148.06915	0.8
163.03972	0.9
177.05476	1.7
187.07813	0.5
255.08807	0.6
258.64377	0.5
286.61896	0.6
291.77155	0.5
303.51059	0.6
309.11389	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.01865	1.4
55.05518	3.7
57.03439	12.4
59.05003	1.4
59.21795	0.4
61.02924	2.5
67.05499	1.0
69.03435	5.8
69.07063	1.3
70.06575	0.6
71.01347	1.8
71.04993	29.2
71.31486	0.6
72.05332	0.8
73.02918	4.8
73.06546	0.6
75.04482	11.5
79.05489	0.9
81.03425	3.5
81.07064	1.0
83.04986	7.3
83.08628	0.6
85.02905	100.0
86.03250	1.4
87.04464	2.4
91.05497	2.0
93.07037	1.3
95.04964	1.8
95.08630	0.8
97.02894	6.5
99.04450	2.3
101.02397	0.5
101.06019	1.0
103.03923	1.1
103.05417	0.4
105.07054	0.8
107.04949	0.5
107.08589	0.6
109.02881	3.0
109.10152	0.5
111.04447	4.4
114.10287	0.7
115.03896	0.6
116.11754	0.4
119.04946	1.1
119.08592	0.8
121.06528	0.6
123.04434	1.0
123.99005	0.4
127.03902	4.1
129.05479	18.5
129.06982	0.7
131.04950	0.4
131.08585	0.7
133.06581	0.6
135.08034	0.9
137.06003	1.4
144.05730	0.4
145.04965	1.7
147.04494	3.4
147.06523	10.8
149.05988	0.6
151.03879	0.6
151.07578	0.9
157.06467	0.5
159.06696	0.5
161.05989	1.0
163.07465	0.7
167.06989	0.5
169.04913	0.6
171.06526	0.7
175.07596	1.2
177.05498	0.6
177.09225	0.6
181.04996	0.5
185.05994	0.8
187.05919	0.4
187.07524	0.6
189.09225	0.8
191.06941	0.9
195.08090	0.6
199.07611	0.6
203.08682	0.7
205.02142	0.4
225.07907	0.5
231.08125	0.5
245.08093	0.5
255.08757	0.6
277.08453	1.0
281.11691	0.4
291.12442	0.8
309.11316	1.6
323.82306	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	10.6
55.01859	3.0
55.05510	13.6
57.03423	6.4
58.15639	1.7
65.03923	2.5
67.05502	64.8
68.06574	1.6
69.03428	7.0
69.07053	5.8
70.38943	4.3
71.04993	9.3
75.04448	1.7
79.05504	13.6
81.03415	58.0
81.07055	62.1
82.04185	3.4
83.04959	8.6
85.02908	11.3
85.06528	3.3
91.05483	13.2
93.07045	12.7
95.04970	11.4
95.08598	15.4
97.02876	5.7
97.06510	5.4
99.04445	2.9
99.08089	4.7
100.11215	1.8
105.07040	7.3
107.04942	5.0
107.08587	16.6
109.02878	56.2
109.06514	9.3
109.10152	80.5
110.03692	13.3
110.10483	1.9
111.04446	12.7
111.08065	2.3
113.06022	2.0
115.05461	3.7
117.06991	3.2
119.04893	3.5
119.08582	7.3
121.06520	2.2
121.10117	4.3
123.04433	2.5
123.08075	2.2
124.05200	2.3
125.02354	14.2
125.05978	1.7
125.09643	2.1
126.03145	2.2
127.03914	24.3
128.06204	2.1
129.07021	2.4
131.04965	1.8
131.08580	2.9
133.06535	1.7
135.08047	24.0
135.11586	1.7
137.05952	9.2
137.09612	91.8
138.09943	2.9
139.03885	2.0
143.08504	1.9
143.63805	1.5
145.10088	2.9
147.04395	8.9
147.08061	3.7
147.11705	1.8
149.09618	2.4
151.11122	1.8
153.09100	2.7
155.10631	5.7
157.09956	1.4
159.07990	1.8
161.05981	3.4
161.09566	1.9
163.07532	7.5
165.05504	2.4
165.09120	58.9
166.09479	1.7
171.11668	2.2
178.07759	2.6
182.15410	2.7
185.05901	2.7
189.07007	1.7
189.12741	2.9
203.08614	1.9
205.06526	1.8
206.07207	3.9
207.07947	2.6
217.06174	2.0
217.12305	1.8
218.07228	2.3
221.09633	1.9
223.07692	1.7
231.08026	3.5
234.06779	5.1
235.07275	2.1
245.11815	2.8
248.08571	1.9
249.09129	8.9
251.07040	5.2
262.06235	2.7
263.06949	2.8
263.12793	5.0
265.08682	1.6
266.09146	2.5
273.18451	1.4
277.08560	12.3
278.09091	2.6
281.08945	1.4
281.11606	7.0
288.93582	1.4
291.12393	3.8
291.19434	4.1
294.08676	3.1
309.13577	100.0
309.16672	6.1
310.13663	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	309.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	10.6
55.01859	3.0
55.05510	13.6
57.03423	6.4
58.15639	1.7
65.03923	2.5
67.05502	64.8
68.06574	1.6
69.03428	7.0
69.07053	5.8
70.38943	4.3
71.04993	9.3
75.04448	1.7
79.05504	13.6
81.03415	58.0
81.07055	62.1
82.04185	3.4
83.04959	8.6
85.02908	11.3
85.06528	3.3
91.05483	13.2
93.07045	12.7
95.04970	11.4
95.08598	15.4
97.02876	5.7
97.06510	5.4
99.04445	2.9
99.08089	4.7
100.11215	1.8
105.07040	7.3
107.04942	5.0
107.08587	16.6
109.02878	56.2
109.06514	9.3
109.10152	80.5
110.03692	13.3
110.10483	1.9
111.04446	12.7
111.08065	2.3
113.06022	2.0
115.05461	3.7
117.06991	3.2
119.04893	3.5
119.08582	7.3
121.06520	2.2
121.10117	4.3
123.04433	2.5
123.08075	2.2
124.05200	2.3
125.02354	14.2
125.05978	1.7
125.09643	2.1
126.03145	2.2
127.03914	24.3
128.06204	2.1
129.07021	2.4
131.04965	1.8
131.08580	2.9
133.06535	1.7
135.08047	24.0
135.11586	1.7
137.05952	9.2
137.09612	91.8
138.09943	2.9
139.03885	2.0
143.08504	1.9
143.63805	1.5
145.10088	2.9
147.04395	8.9
147.08061	3.7
147.11705	1.8
149.09618	2.4
151.11122	1.8
153.09100	2.7
155.10631	5.7
157.09956	1.4
159.07990	1.8
161.05981	3.4
161.09566	1.9
163.07532	7.5
165.05504	2.4
165.09120	58.9
166.09479	1.7
171.11668	2.2
178.07759	2.6
182.15410	2.7
185.05901	2.7
189.07007	1.7
189.12741	2.9
203.08614	1.9
205.06526	1.8
206.07207	3.9
207.07947	2.6
217.06174	2.0
217.12305	1.8
218.07228	2.3
221.09633	1.9
223.07692	1.7
231.08026	3.5
234.06779	5.1
235.07275	2.1
245.11815	2.8
248.08571	1.9
249.09129	8.9
251.07040	5.2
262.06235	2.7
263.06949	2.8
263.12793	5.0
265.08682	1.6
266.09146	2.5
273.18451	1.4
277.08560	12.3
278.09091	2.6
281.08945	1.4
281.11606	7.0
288.93582	1.4
291.12393	3.8
291.19434	4.1
294.08676	3.1
309.13577	100.0
309.16672	6.1
310.13663	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	309.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82277	1.6
53.03931	2.0
54.87485	1.9
55.01862	4.5
55.05500	8.6
57.03430	2.1
65.03918	1.8
67.05504	17.9
69.07065	4.1
71.04990	2.0
71.32319	1.6
71.32816	2.4
75.21471	1.7
79.05489	14.2
81.03399	3.2
81.07050	14.6
83.01331	2.3
83.04970	6.3
83.08593	3.4
85.06528	2.8
91.05463	9.3
93.07027	14.5
95.04974	3.7
95.08588	10.7
97.06525	4.6
97.10153	4.8
99.08091	2.2
105.07014	7.0
107.04997	2.1
107.08601	8.1
109.06524	3.5
109.10139	4.8
111.04416	2.6
111.08086	4.4
117.07014	2.4
119.08557	3.6
121.06470	3.0
121.10161	4.8
123.08070	4.1
125.05973	4.8
125.09624	4.6
131.08549	3.4
133.06413	1.8
133.10123	2.9
135.08022	6.0
137.05951	2.6
137.09651	2.1
139.07497	12.8
141.05479	2.0
145.10106	1.9
149.09610	2.6
151.11180	1.9
153.09129	6.4
153.12761	2.5
165.05585	2.0
211.09531	2.3
221.09795	2.1
231.08138	2.0
235.16934	3.8
245.15427	2.8
249.08952	3.0
251.07132	2.3
263.16376	9.6
266.09366	2.0
273.18518	4.4
277.08655	5.9
281.11771	3.3
291.19577	4.8
309.07944	2.7
309.11322	10.1
309.16721	100.0
309.20435	8.7
310.17035	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	309.2057
Annotation	Soraphen O
Peak:m/z	Relative Intensity
50.25487	0.8
53.03922	0.8
55.01870	4.3
55.05515	2.4
57.03153	1.7
57.03437	30.9
57.07076	1.7
59.73399	0.7
65.03951	1.7
67.05164	1.6
67.05507	18.7
67.68546	0.8
69.07076	2.6
69.18705	4.7
69.19125	1.8
71.05000	3.9
72.19744	0.7
76.87885	0.9
79.05486	9.2
81.07059	8.7
83.04986	1.1
83.08626	1.7
85.06542	30.5
86.72454	1.0
91.05481	8.5
93.07021	6.6
94.04219	0.8
95.04970	28.7
95.08592	4.2
96.05294	0.8
97.06535	1.2
105.07038	6.1
107.04961	1.8
107.08588	5.6
109.06516	26.0
109.10171	2.0
110.06864	0.9
111.08040	1.2
111.43587	0.8
113.06005	100.0
114.06350	2.0
114.88129	0.8
116.89392	0.8
117.07022	3.8
119.08588	3.4
121.06489	0.8
121.10175	1.7
123.08095	1.9
124.04108	1.0
129.07007	2.7
131.08575	5.6
133.10124	2.3
135.08052	23.2
135.11697	1.6
137.05974	8.1
138.06319	16.1
139.06516	15.6
140.06738	7.2
143.08582	2.0
145.10104	4.3
147.08057	1.3
147.11693	0.9
148.03816	0.9
149.09622	2.2
155.08607	0.9
156.81050	0.8
157.10141	2.6
159.08089	1.4
159.11725	2.6
161.09673	2.7
171.11748	1.8
173.13161	1.0
195.11758	0.8
195.13918	0.9
199.14850	1.9
201.12733	1.2
217.15874	8.6
219.13824	1.1
232.87498	0.9
255.17421	1.0
273.18500	10.6
274.18915	1.0
277.08594	1.4
281.11655	1.0
291.16257	1.5
291.19534	31.1
292.19772	2.0
294.08640	0.9
309.11224	2.5
309.21133	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2059
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
52.97578	1.4
53.03946	5.1
55.01873	16.3
55.05510	53.9
55.74419	1.5
57.03443	9.2
57.07073	1.9
57.33643	1.6
59.04990	2.3
61.34491	1.4
63.89191	1.6
65.03934	2.1
65.25611	1.5
67.05501	47.6
69.03435	10.1
69.07067	34.0
69.13506	3.5
69.13908	14.3
71.05002	8.9
71.08652	1.4
72.49850	1.5
79.05491	46.4
81.03413	17.2
81.07053	100.0
82.07409	1.8
83.04980	19.5
83.08615	29.7
85.02908	4.4
85.06560	2.2
91.05478	24.7
91.70361	1.5
93.07049	33.3
95.04971	19.6
95.08607	32.8
97.06527	11.4
97.10164	40.1
99.08090	5.0
102.07926	1.6
103.05514	2.3
105.07020	24.0
107.04956	6.4
107.08589	28.2
109.02896	2.0
109.06512	7.4
109.10147	23.9
111.04436	14.8
111.08066	11.0
116.66976	1.5
117.07016	9.9
119.05002	2.3
119.08577	24.2
121.06499	9.8
121.10118	13.8
123.04479	2.3
123.08071	35.8
123.11689	3.2
125.05981	2.6
125.09622	35.8
126.10017	1.8
129.07005	5.5
131.08545	11.8
133.06520	3.5
133.10155	12.4
135.08043	10.7
135.11703	8.8
137.06013	1.8
137.09628	17.9
139.07607	2.0
139.11230	4.2
143.08580	4.6
145.06473	1.6
145.10133	15.2
147.08009	9.3
147.11697	7.0
149.09612	6.8
149.13251	3.9
151.11198	2.4
153.09111	6.7
153.12753	4.4
155.08488	2.3
157.10115	4.9
159.11684	5.7
161.09601	4.6
161.13240	2.6
163.11176	26.0
165.09097	14.4
171.10217	3.8
171.11641	3.0
173.09616	2.9
175.11157	7.5
177.12775	2.0
179.07053	2.0
179.08492	1.7
179.10657	2.0
181.12279	8.6
189.11209	22.5
189.12772	3.0
191.10703	6.1
193.12238	15.1
203.10898	1.7
209.11674	2.0
211.13319	5.3
213.16444	1.8
217.15836	2.0
221.08089	5.6
227.12743	5.3
227.17839	2.6
231.10205	2.0
245.19061	2.3
249.14589	2.1
255.17375	4.4
263.20053	3.8
273.11398	4.0
273.18521	25.3
277.08588	4.8
279.06769	1.6
281.11774	4.4
291.12418	3.0
291.19525	67.0
292.19748	6.3
294.08844	2.1
306.16138	1.7
309.07776	3.0
309.10904	13.1
309.16766	7.1
309.20587	15.0
310.11789	3.4
310.20773	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2058
Annotation	Soraphen O
Peak:m/z	Relative Intensity
53.03943	1.9
55.01863	5.2
55.05497	5.2
57.03436	38.3
57.83833	1.8
58.06868	1.9
65.03942	1.8
65.37228	1.7
67.05500	26.2
69.07043	3.4
69.50145	11.8
70.08489	1.9
71.04996	4.4
71.39432	1.8
71.68816	2.0
79.05486	11.6
81.07062	11.8
83.08612	2.2
85.06544	36.1
91.05476	13.3
93.07044	9.9
95.04966	34.6
95.08611	5.8
105.07021	8.2
107.04964	4.6
107.08595	10.5
109.06512	42.4
112.28191	1.9
113.05998	100.0
114.06301	3.5
117.07036	4.1
121.10133	2.5
129.07040	3.1
131.08543	7.0
133.10130	4.1
135.08037	33.7
135.11688	2.7
143.08537	2.8
145.10101	3.4
147.08163	3.2
147.11693	2.5
149.09616	3.7
157.10104	3.9
159.11714	2.1
161.09624	5.4
173.13260	2.0
199.56303	1.9
217.15913	9.9
271.19037	2.0
273.18506	10.7
290.79929	2.0
291.19510	41.7
292.19867	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	309.2058
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03949	7.2
55.01871	23.4
55.05511	31.1
57.03434	6.6
57.07071	4.3
60.42255	3.0
65.03952	3.6
67.05502	80.8
69.03422	7.2
69.07067	26.5
69.25700	14.4
69.26113	5.8
71.04984	14.5
77.42958	2.6
79.05492	54.8
81.03414	9.5
81.07054	100.0
83.04989	15.3
83.08643	11.2
85.06555	10.4
91.05473	55.0
91.05992	4.2
93.07046	61.1
95.04964	16.1
95.08608	49.8
97.06529	8.2
97.10178	4.0
99.04475	4.6
105.07027	59.4
106.48311	2.9
107.04969	10.6
107.08590	52.4
109.06497	17.6
109.10151	89.2
111.04451	8.4
111.08083	8.7
112.85601	2.9
113.06007	5.1
113.92879	2.4
117.07020	9.2
119.08570	22.4
121.06509	12.6
121.10139	20.4
123.04460	3.5
123.08099	14.8
123.11702	12.1
125.09628	9.4
127.07573	5.6
129.06995	3.4
131.08575	19.4
133.06461	6.0
133.10124	99.9
134.10497	4.1
135.08075	11.4
135.11699	10.9
137.05952	5.2
137.09636	6.8
139.07591	5.0
143.08569	8.3
145.10123	11.6
147.08060	9.3
147.11682	7.2
149.09607	9.8
151.11180	55.5
159.08083	2.9
159.11664	5.3
161.09624	12.3
163.11201	4.0
167.10690	4.4
169.12263	17.5
171.10239	3.6
171.11714	9.0
175.11243	6.0
179.10768	4.9
181.08556	4.2
185.13336	3.0
215.12790	3.5
245.19095	9.1
255.17490	6.2
263.19931	13.5
273.18472	33.0
291.19519	65.9
292.20016	3.2
309.11047	4.3
309.20496	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	309.2059
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03942	6.7
55.01876	23.5
55.05510	39.1
57.03428	6.4
57.07067	3.7
61.12823	2.3
63.06514	1.9
63.93937	2.1
65.03947	4.0
67.05506	81.8
68.05833	3.9
68.46648	2.4
69.03431	7.4
69.07062	28.3
69.80707	11.6
71.04990	11.5
78.05539	2.2
79.05492	58.3
81.03416	6.6
81.07056	100.0
83.01346	7.9
83.04986	18.2
83.08621	12.1
85.06533	8.5
91.05476	61.7
91.06055	2.7
93.07045	61.4
94.07391	2.6
95.04970	15.1
95.08607	53.6
96.08959	2.7
97.02930	2.8
97.06536	12.7
97.10165	3.2
99.04435	4.3
99.08109	2.9
103.05444	2.6
105.07024	57.6
105.07734	3.0
107.04964	11.6
107.08599	52.6
107.09275	4.9
109.06514	15.4
109.10152	71.1
111.04447	5.4
111.08103	11.8
113.06001	2.7
117.07021	9.6
119.08584	25.0
121.06492	12.4
121.10140	20.2
123.04479	4.0
123.08087	8.8
123.11712	10.6
125.05992	3.5
125.09634	3.4
127.07561	5.0
129.07016	10.5
131.08546	17.5
133.06491	16.8
133.10126	75.8
134.10509	3.6
135.08043	9.7
135.11708	13.5
137.05989	3.6
137.09602	5.7
139.07558	10.9
143.08566	9.0
145.10135	18.2
147.08067	16.7
147.11696	8.8
149.09608	10.0
151.06181	2.5
151.07512	3.0
151.11189	48.6
155.07076	2.8
157.10162	5.8
159.08023	3.3
159.11702	9.2
161.09631	16.5
161.13196	6.3
163.11206	6.0
165.09045	2.4
165.12715	3.0
169.12311	8.7
171.11700	8.5
175.11209	9.7
179.10696	4.8
179.14392	2.5
181.08632	4.8
181.12241	3.2
183.11725	2.8
189.12730	5.2
199.11137	2.9
203.14323	3.9
215.12791	3.1
217.12183	3.3
223.13452	3.2
227.17955	3.6
245.19028	17.7
255.17467	5.5
263.20102	19.2
269.36902	2.7
273.18463	41.7
274.18982	5.3
291.19528	80.7
292.19940	4.8
309.11209	11.3
309.14737	3.6
309.20493	25.7
309.23752	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.206
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
51.32656	0.5
51.44361	0.5
53.03954	1.7
55.01876	4.6
55.05511	19.3
56.05853	0.5
57.03445	2.1
57.07072	0.7
59.05008	0.6
59.26670	0.5
65.03933	0.6
67.05504	26.0
68.05840	0.6
69.03437	2.8
69.07067	17.7
70.81594	0.9
71.05002	1.9
73.02909	0.7
79.05493	29.9
80.05836	0.8
81.03428	1.5
81.07055	20.4
82.07423	0.8
83.01350	1.7
83.04977	5.0
83.08623	6.6
85.02917	0.6
85.06551	1.1
91.05474	9.1
93.07043	22.8
94.07388	0.5
95.04964	8.3
95.08604	12.0
95.09215	0.6
97.06541	5.3
97.10165	9.2
97.10740	0.6
97.78873	0.4
105.04516	0.5
105.07026	7.5
107.04986	2.3
107.08591	15.7
109.02879	1.3
109.06538	3.8
109.10153	10.6
111.04444	1.9
111.08103	1.9
111.11725	0.7
114.43470	0.5
115.05494	1.0
117.07017	4.0
119.08591	6.4
121.06506	1.1
121.10150	10.9
123.04439	2.1
123.08073	4.2
123.11732	0.7
125.06014	3.3
125.09624	10.6
127.57227	0.4
128.06247	0.8
129.07019	1.4
131.08565	3.5
131.87994	0.4
133.06500	1.5
133.10133	3.8
135.08080	5.1
135.11697	1.7
137.06006	2.7
137.09615	8.8
139.07536	0.8
139.11172	7.3
141.07014	0.6
143.08577	1.6
145.10117	2.4
146.10452	0.5
147.08066	3.3
147.11702	2.2
149.06018	0.5
149.09625	1.9
149.13263	0.7
151.07555	1.4
151.11188	0.9
153.09103	100.0
154.09465	2.8
155.10617	0.6
157.06552	0.6
157.10136	2.0
159.08051	0.5
159.11743	1.4
159.40019	0.4
161.09630	2.3
161.13266	0.9
163.11179	1.6
165.09123	13.4
165.12767	1.0
166.09407	0.8
167.10620	0.7
169.10097	0.5
171.10162	2.9
171.11693	1.6
173.11761	1.6
175.11166	3.3
175.14783	1.0
177.12758	1.0
178.07762	0.6
179.10663	1.2
181.12317	0.5
183.10176	0.6
185.13338	0.6
189.09431	0.8
189.11215	9.9
189.12724	1.3
193.12225	5.2
195.09999	0.6
195.11732	0.5
199.14822	0.5
203.14371	0.6
207.10173	1.4
207.13850	1.4
213.16356	0.6
217.12192	0.6
217.19516	0.6
221.09554	0.7
221.15395	0.6
227.17929	1.7
237.16292	0.7
245.19026	3.2
247.20580	0.5
249.09206	1.3
255.17435	1.8
263.20090	4.4
266.09689	0.7
270.08701	0.5
273.18484	18.0
274.18970	1.1
277.08536	1.6
281.11761	1.3
283.90869	0.4
291.19540	25.1
292.19846	1.7
294.08679	0.7
309.11270	3.9
309.20554	18.2
310.11505	0.9
310.20865	1.0
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	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03939	1.7
55.01870	7.9
55.05511	30.6
57.03426	3.7
57.07085	5.2
59.04988	1.9
60.63715	0.7
63.28419	0.8
65.03947	1.5
67.05166	1.5
67.05505	28.1
69.03441	4.3
69.06709	1.4
69.07070	22.4
71.04985	5.0
71.08632	12.5
73.06545	1.0
74.35925	0.8
79.05045	1.6
79.05495	25.4
81.03435	4.1
81.07058	66.5
83.04537	1.0
83.04987	10.9
83.08623	18.7
85.02898	2.8
85.06536	3.5
91.05477	12.8
93.07045	31.4
94.07366	1.2
95.04971	12.2
95.08027	1.7
95.08609	26.3
97.02908	1.3
97.06527	9.1
97.10169	22.8
99.04419	1.2
99.08101	8.9
100.81588	0.9
101.06015	0.8
103.05416	0.9
105.07028	15.2
107.04936	3.2
107.08598	24.9
109.06522	10.5
109.10167	12.8
111.04439	11.2
111.08076	7.2
113.05939	0.9
113.28226	0.7
114.22930	0.8
117.07014	5.1
119.08591	16.3
121.06481	3.7
121.10146	11.2
123.04425	1.1
123.08073	21.5
123.11697	3.6
125.05966	1.1
125.09634	17.5
129.07071	2.9
131.08624	5.8
133.06502	0.9
133.10132	5.5
135.08093	3.9
135.11707	7.8
137.05962	1.2
137.09589	2.6
139.11163	3.0
143.08566	2.4
143.10687	1.1
145.10127	8.7
145.13293	0.9
147.08037	3.5
147.11684	4.2
149.09566	1.2
149.13281	3.9
151.11198	2.7
153.09103	2.5
153.12732	6.5
157.06621	1.1
157.10156	3.0
159.08118	1.2
159.11705	3.5
161.09602	1.5
161.13245	2.4
163.07445	1.0
163.11131	7.6
163.14806	2.7
165.09084	3.1
165.12773	12.0
167.14363	1.5
171.10257	1.3
171.11671	2.6
173.09599	1.3
173.13248	2.0
175.11147	2.3
175.14774	2.1
177.16396	0.9
179.14233	1.7
181.12244	7.1
183.11720	1.1
185.13319	0.8
187.14763	1.7
189.11217	20.8
189.16394	1.4
191.10599	4.6
193.12285	0.9
193.15898	5.0
195.11513	0.8
199.14844	1.7
207.17522	1.0
209.11678	1.3
213.16322	1.0
221.15280	1.3
223.13290	2.9
227.12732	4.1
235.13242	1.1
235.16937	2.3
245.18825	1.3
249.09151	2.3
249.18401	1.0
250.96613	0.8
251.07076	0.8
255.17432	1.2
263.20084	1.2
268.04257	0.9
273.18491	8.5
273.21658	1.1
277.08496	1.7
279.09781	0.8
281.11691	1.3
283.22922	0.9
291.19501	26.3
291.23132	25.6
292.19879	1.7
292.23468	2.1
294.08777	1.7
294.12109	1.2
309.07748	1.5
309.11139	10.0
309.14685	2.3
309.20709	8.8
309.24194	100.0
310.11743	1.8
310.24402	4.3
327.18088	0.9
333.37103	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2056
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
55.01863	3.4
55.05507	15.7
57.03430	5.7
57.07071	2.3
67.05493	16.3
69.03412	2.7
69.07055	9.1
69.96412	7.2
71.04980	1.6
79.05487	19.0
81.07049	17.6
82.07381	2.0
83.04993	4.2
83.08618	7.8
85.06541	2.9
91.05468	11.2
93.07042	18.4
93.54704	1.5
95.04979	3.2
95.08622	8.5
97.06535	3.4
97.10179	6.3
100.11256	4.1
105.07045	6.3
105.55399	1.5
107.04932	3.8
107.08593	9.4
109.06497	9.0
109.10155	6.1
111.04421	1.8
111.08099	3.0
117.07028	6.9
119.08552	11.2
121.06517	3.8
121.10149	9.9
123.08071	5.9
125.06024	1.8
125.09650	5.1
129.07033	2.4
131.08578	4.5
133.10124	5.1
135.08063	6.8
135.11679	3.3
137.05992	2.4
137.09605	2.8
139.11197	1.5
143.08578	3.4
145.10120	5.3
147.08046	5.0
147.11665	2.7
149.09692	2.7
149.13217	2.1
151.07558	2.5
153.09103	4.0
157.10133	1.8
159.11781	2.4
165.09093	2.2
171.11676	3.0
171.38945	1.5
182.15384	8.7
189.11256	3.6
193.12260	1.8
210.14908	14.0
211.15121	1.6
245.19191	2.6
249.06769	1.7
249.09117	1.9
249.78131	1.7
273.18445	11.0
277.08304	2.2
291.19467	16.9
292.20383	1.6
309.11084	4.1
309.16766	100.0
309.20410	18.2
310.17068	5.9
310.20453	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2058
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03944	7.4
55.01871	16.3
55.05509	54.5
57.03433	8.8
64.66837	2.9
67.05505	59.8
69.03425	8.9
69.07067	33.2
71.04991	9.8
71.33895	4.0
79.05493	59.3
81.03413	20.7
81.07050	100.0
83.04971	21.1
83.08619	28.6
85.02930	3.9
85.06518	4.8
91.05474	34.6
93.07033	49.4
95.04961	19.8
95.08603	36.5
97.06511	9.1
97.10171	39.0
99.04478	3.2
99.08095	5.3
105.07027	29.2
107.04958	10.2
107.08588	30.1
109.02910	3.1
109.06523	12.6
109.10165	22.6
111.04446	16.9
111.08083	9.8
117.07043	14.6
119.08571	21.4
120.06143	2.5
121.06500	7.4
121.10127	15.6
123.08065	41.6
123.11666	3.6
125.09631	34.9
128.06226	4.2
129.07031	7.0
131.08575	13.0
133.06468	6.9
133.10123	14.9
135.08060	9.0
135.11661	7.4
137.05917	5.7
137.09596	13.4
139.11177	3.7
143.08586	7.6
143.40034	2.7
145.10120	12.7
147.08011	14.3
147.11700	7.9
149.09593	7.7
149.13216	3.0
151.07584	4.6
153.09096	6.9
153.12802	2.8
157.10141	9.2
159.11682	7.8
161.05902	3.1
163.11180	24.9
164.14291	3.3
165.09073	16.2
171.11578	3.4
175.11203	9.9
181.12219	9.1
189.11220	33.1
191.10684	7.5
193.12224	12.3
206.07239	3.3
211.13264	7.0
223.13280	4.9
227.12679	3.7
234.06723	4.4
245.19041	5.6
249.09134	5.9
251.07153	3.4
255.17375	4.8
263.19910	5.9
266.09357	4.7
273.18372	23.6
274.18869	3.7
277.08643	14.2
281.11557	5.5
291.16293	3.8
291.19516	61.3
291.22598	5.1
292.19904	4.1
294.08942	3.2
309.07733	5.5
309.11148	33.2
309.16916	6.7
309.20554	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2059
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03945	5.5
55.01862	10.7
55.05507	35.5
57.03427	6.0
57.07074	2.5
59.05016	3.2
59.05362	2.6
65.03934	4.6
67.05157	3.4
67.05503	67.5
69.03407	6.1
69.07062	33.6
69.47095	4.8
69.47496	14.6
69.71772	2.6
71.04980	6.7
76.15431	2.6
76.30266	2.4
79.05489	47.8
81.03399	11.6
81.07050	62.7
83.04974	10.4
83.08633	13.4
85.02894	2.5
85.06545	4.9
85.86109	2.4
91.05476	42.4
93.07037	44.7
95.04970	16.4
95.08601	60.5
97.06512	12.4
97.10169	11.1
99.08078	4.3
105.07031	33.5
107.04948	11.4
107.08588	27.4
109.02880	8.9
109.06519	13.0
109.10147	30.3
111.04420	7.0
111.08106	3.1
111.11710	3.8
115.05435	3.1
117.07001	11.0
119.08570	27.6
121.06491	11.4
121.10120	28.8
123.04440	4.1
123.08076	12.7
123.11720	5.7
125.05970	2.8
125.09627	8.2
128.06219	3.1
129.07002	9.5
131.08569	15.1
133.06488	8.9
133.10110	19.3
135.08052	7.7
135.11693	10.4
137.06004	3.1
137.09595	16.0
139.11176	7.5
142.07784	2.7
143.08569	6.9
145.10109	15.4
147.04404	10.5
147.08047	10.9
147.11682	20.6
149.09622	8.5
149.13248	5.1
151.07558	8.8
151.11174	2.8
153.09117	6.2
157.10107	14.1
159.08116	4.4
159.11679	9.8
161.09624	11.3
161.13231	7.9
163.11159	7.5
165.09084	10.3
169.10066	3.5
171.11670	11.7
173.09572	5.1
175.11169	11.3
175.14815	2.9
177.12828	3.1
179.07011	16.1
179.10579	5.1
183.10059	3.4
185.09625	9.4
187.11223	4.6
189.09190	3.1
189.11191	6.4
189.12749	15.0
191.10451	2.7
193.12238	6.1
203.10612	9.6
203.17888	3.0
206.07220	5.8
207.10207	2.5
207.13829	3.0
210.06917	2.9
213.16350	4.1
213.65120	2.7
215.09093	3.1
217.12204	3.1
217.19495	3.6
221.11699	3.4
227.17940	5.6
231.17415	4.6
234.06834	3.9
235.07640	2.9
237.54419	2.9
245.18983	11.5
249.09103	6.2
249.18390	3.0
255.17381	13.0
262.06223	4.8
263.20105	21.3
265.08524	3.8
273.18494	44.3
274.18796	4.6
277.08560	15.3
281.11649	9.4
281.21069	5.1
291.19513	100.0
292.19684	5.3
309.07452	6.6
309.11258	18.2
309.16821	11.5
309.20554	46.8
310.21240	2.9
318.88190	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	309.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	20.8
55.01860	11.6
55.05507	41.2
56.05841	3.3
57.03432	5.2
57.07050	8.0
62.64347	3.0
67.05502	69.0
67.14365	3.5
69.03413	7.1
69.07063	40.7
69.34497	27.0
71.04992	5.2
71.08624	9.0
71.19405	3.1
77.81787	3.2
79.05473	47.6
81.03410	68.6
81.07051	62.7
83.04971	23.6
83.08616	13.6
85.10137	4.9
91.05476	29.7
93.06507	4.4
93.07039	44.6
95.04956	39.0
95.08607	34.6
97.06506	7.1
97.10172	12.4
99.08076	5.3
105.07008	26.1
107.04953	4.3
107.08568	27.2
109.06525	11.7
109.10187	20.1
111.08086	6.0
113.09618	3.7
117.07010	7.8
119.08578	15.7
121.10123	14.4
123.08061	8.5
123.11687	10.1
125.09639	16.8
131.08566	4.8
133.10144	18.7
135.08044	6.5
135.11685	10.9
137.09634	4.7
137.13284	6.0
139.11203	4.1
143.08546	5.3
145.10156	4.5
147.07976	4.8
147.11714	18.3
149.13171	7.1
151.11177	50.1
153.09055	5.5
157.10114	5.2
161.13261	10.9
163.14819	6.0
165.12782	10.7
171.11620	7.3
175.14702	3.8
179.14359	4.8
189.12845	5.2
203.12740	6.9
217.19568	3.4
227.36711	3.9
229.45978	3.2
231.21034	11.5
241.19537	8.0
249.22137	8.6
259.20584	11.9
277.21606	100.0
278.21884	11.4
309.07620	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	309.2421
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03937	3.5
55.01875	11.2
55.05509	36.5
57.03429	3.7
57.07064	8.9
59.04994	4.4
65.03922	3.5
67.05504	62.2
69.03423	5.0
69.07066	39.8
69.45390	2.0
71.04976	6.2
71.08624	15.4
71.33756	4.2
74.92145	2.6
79.05486	48.5
81.03415	9.1
81.07051	70.4
82.07379	2.9
83.04967	16.9
83.08621	24.9
85.06543	10.8
91.05470	32.7
93.07042	66.1
94.09921	2.5
95.04958	30.0
95.08608	49.0
97.06532	16.6
97.10154	13.0
99.08089	10.8
105.07040	29.9
107.04938	7.1
107.08592	30.7
109.06522	10.0
109.10149	20.3
111.08074	7.0
111.11645	3.4
113.05960	2.3
117.07014	4.9
119.08579	24.9
121.06470	3.9
121.10140	29.5
123.08081	10.3
123.11691	11.4
125.09647	8.9
129.07019	5.4
131.08559	12.7
133.06490	4.3
133.10129	25.2
135.07994	4.9
135.11693	14.6
137.09552	5.1
137.13246	2.5
139.11172	12.9
143.08566	4.3
145.10136	9.6
147.11691	19.6
149.09618	4.6
149.13252	8.7
151.07536	3.6
151.11198	10.1
153.12717	3.8
157.10117	8.8
159.11685	6.7
161.13261	10.9
163.11179	3.9
163.14859	3.5
165.12735	11.6
166.13567	2.2
171.11656	4.6
175.11183	4.2
175.14836	7.6
177.12753	2.8
179.14276	5.3
183.98026	2.2
185.13219	5.5
193.12184	4.3
199.14818	4.1
200.37814	2.4
207.13808	4.7
221.15346	3.7
231.20905	5.0
235.17026	2.9
241.19446	5.3
249.22052	3.5
259.20560	10.9
277.21603	100.0
278.21881	8.8
291.23193	5.2
309.11316	3.1
309.24258	26.4
309.29852	10.5
310.24564	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2422
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03945	4.5
55.01876	4.6
55.05507	25.0
57.03434	7.1
57.07095	4.1
57.15823	1.5
58.61773	1.4
62.24459	1.6
63.96033	1.6
65.03950	2.0
67.05502	57.2
67.14739	1.5
69.07066	27.3
69.60381	9.5
71.05015	3.1
71.08630	64.9
74.64221	1.8
79.05492	61.5
81.03408	10.9
81.07056	63.8
83.04979	18.2
83.08618	10.8
85.06544	3.8
91.05478	39.0
93.07042	73.8
94.07391	2.4
95.04973	14.9
95.08605	50.5
97.06528	12.5
97.10178	5.7
98.23310	2.5
99.08089	54.8
103.14680	1.8
105.07036	24.9
106.11018	1.9
107.04960	7.1
107.08589	36.5
107.09261	2.6
109.06526	3.6
109.10153	21.3
111.08097	4.7
111.66724	1.8
113.09660	3.3
117.07016	5.9
118.97875	1.7
119.08577	21.7
121.06491	1.9
121.10146	34.4
123.08092	3.1
123.11740	2.8
125.09631	1.9
127.11200	2.5
131.08551	4.9
133.10129	14.7
135.11688	39.8
137.09624	8.3
139.11235	2.6
141.09052	3.7
143.08609	3.5
145.10132	7.2
147.11714	7.5
149.13216	11.9
151.11182	23.3
153.12732	4.3
157.10123	2.4
159.11707	5.0
161.13235	16.2
163.11182	7.7
163.14815	5.2
171.11707	4.6
173.13231	2.1
175.11296	2.3
175.14880	3.0
177.12735	4.2
179.14305	100.0
180.14671	4.2
184.69342	2.0
185.13223	2.3
189.12685	3.2
195.13802	2.1
199.14799	2.3
207.13927	2.3
221.15332	2.4
235.16928	5.7
241.19513	3.8
259.20633	6.7
277.21603	47.5
278.21982	2.9
300.92288	1.9
309.16995	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2788
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
53.03949	2.6
55.01869	1.9
55.05513	37.4
57.03439	2.0
57.07076	28.0
59.04992	1.1
63.20208	0.8
65.03948	2.2
67.05505	46.6
69.03420	5.3
69.07069	57.0
69.12526	8.4
70.07405	1.3
71.04994	3.6
71.08634	16.9
79.05494	25.4
80.05814	0.9
81.03414	7.6
81.07056	100.0
82.07401	2.4
83.04984	7.6
83.08623	30.0
85.02910	1.7
85.06543	4.6
85.10182	4.8
87.04482	1.3
91.05475	15.8
93.06456	2.1
93.07046	39.8
94.07356	1.4
95.04971	6.5
95.08605	91.1
96.08945	1.4
97.02891	1.4
97.06543	5.9
97.10170	41.2
99.08097	2.1
103.05511	1.0
105.04544	1.2
105.07031	21.0
107.04939	1.4
107.08593	26.7
109.02873	5.8
109.06519	7.3
109.10156	54.0
110.10525	1.4
111.04448	2.0
111.08063	5.7
111.11715	10.9
113.06042	2.6
113.07693	0.9
113.09686	1.1
117.06998	1.8
119.04956	1.1
119.08580	19.2
121.10139	20.5
123.08067	6.2
123.11709	24.7
125.09636	7.0
125.13287	3.9
127.03928	1.8
127.07565	3.4
131.08566	2.2
133.10136	15.1
135.04318	1.0
135.08046	3.5
135.11688	17.8
137.06006	1.5
137.09616	11.4
137.13240	14.1
139.11186	3.3
141.09174	2.2
143.10670	9.0
145.10121	1.6
147.04411	3.3
147.07980	1.7
147.11678	17.4
149.13261	11.3
151.11209	4.2
151.14828	4.8
153.12775	1.3
155.10672	3.5
157.10144	1.7
158.39815	1.0
159.11739	2.4
161.06004	0.9
161.13268	9.7
163.07588	1.1
163.14810	6.5
165.09142	5.8
165.12788	4.3
165.16409	2.6
171.10074	1.5
171.11560	1.2
175.11237	1.3
175.14832	4.0
177.16415	3.5
178.16620	1.0
179.14394	1.4
179.17964	2.6
189.11269	1.9
189.16403	3.8
191.17976	3.2
193.92670	0.9
203.17964	3.8
204.29716	0.9
206.07310	1.1
217.19513	4.6
219.07976	1.2
225.80351	1.1
247.09377	0.9
247.24246	1.5
249.09206	1.8
249.25839	1.1
251.06944	1.1
263.10809	1.3
266.09195	1.3
273.18781	1.2
273.25824	12.8
274.67325	1.0
277.08624	2.5
279.11182	1.2
281.11841	3.1
291.19376	2.7
291.23566	2.0
291.26755	10.6
292.27118	1.1
294.08734	1.8
309.10986	4.9
309.13318	7.7
309.17102	1.7
309.20627	2.0
309.24191	2.4
309.27795	19.5
310.08298	1.5
310.28064	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.3
57.07071	8.5
57.46873	4.1
67.05502	9.7
69.03427	10.5
69.07075	4.0
69.67578	18.6
71.04999	11.8
77.47925	3.3
81.03439	4.0
85.02892	41.3
85.03350	4.4
85.06540	4.9
92.79159	3.2
93.07025	4.3
95.04983	16.2
97.02884	12.8
98.22517	4.3
109.02887	5.4
113.06004	59.8
127.03906	8.9
131.07042	100.0
145.04979	15.0
163.06001	5.1
173.46764	3.6
292.12042	5.2
311.10904	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0736
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76950	0.4
70.36156	1.0
70.36487	0.8
75.08133	0.4
81.03423	0.4
91.05447	0.5
93.07011	0.5
98.34614	0.4
110.06059	0.7
125.97820	0.4
136.07506	0.6
148.11946	0.6
149.02100	28.3
150.02419	0.5
158.16768	0.5
185.04207	8.0
201.79019	0.6
311.07349	100.0
312.07645	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	311.0914
Annotation	Ocophyllal A
Peak:m/z	Relative Intensity
51.02374	0.2
53.03952	1.3
54.17876	0.1
55.01877	1.0
55.05506	1.1
57.03417	0.2
57.07069	0.3
59.04994	0.2
65.03940	3.1
65.26981	0.1
67.05200	0.2
67.05505	1.7
68.99789	1.6
69.03126	0.2
69.03431	2.0
69.07068	1.8
71.04983	0.4
71.08628	0.2
77.03969	0.2
79.01855	0.3
79.05490	2.5
81.03418	6.2
81.06618	0.2
81.07056	2.4
82.07376	0.2
83.01368	0.3
83.04959	0.3
83.08597	0.6
85.02884	0.8
85.06560	0.3
91.05475	2.1
92.02610	0.2
93.03408	1.9
93.06447	0.2
93.07042	4.6
95.04970	3.4
95.08600	1.7
97.02892	0.3
97.06520	0.6
97.10160	0.4
98.23344	0.4
99.04462	0.2
99.08066	0.2
100.74738	0.2
103.05465	1.1
105.04506	0.2
105.07024	2.3
105.12781	0.1
107.04906	0.3
107.08595	1.2
108.02094	0.7
109.02860	0.7
109.06506	0.5
109.10155	1.0
111.04408	0.6
111.08068	0.3
111.11668	0.2
115.05441	0.4
117.07023	0.3
118.04137	0.5
119.04916	0.3
119.08577	0.9
121.02868	13.4
121.06496	0.5
121.10144	5.0
122.03159	0.3
122.10487	0.3
123.04443	1.3
123.08072	0.4
123.11686	0.5
125.05955	0.5
125.09599	0.3
127.03917	0.4
129.06989	0.2
131.04913	0.6
131.08542	0.7
132.05696	0.5
133.06491	7.8
134.06798	0.2
135.04420	8.1
135.07997	0.2
135.11671	0.4
136.01558	0.5
136.04765	0.3
137.02357	0.2
137.05968	1.7
137.09604	0.2
139.03902	1.2
139.11212	0.4
141.06973	0.6
143.08553	0.2
144.05682	0.2
145.06476	0.2
145.10066	0.3
146.03621	0.4
147.04396	0.7
147.11623	0.3
149.02341	12.0
149.05922	0.4
149.09616	2.2
149.13264	0.2
150.02667	0.5
151.03914	1.4
151.07487	0.3
151.14763	0.2
153.06935	0.2
154.02588	0.4
154.07814	0.2
157.10092	0.2
159.04408	0.5
159.08057	0.3
161.05986	2.3
162.06607	0.3
163.07570	0.2
163.11140	0.2
163.14832	0.2
165.07001	0.7
166.07695	0.2
167.03366	1.6
167.06932	0.2
167.08485	0.3
167.10559	0.2
169.04930	1.2
169.06480	0.6
179.03392	21.8
180.03725	0.8
181.04993	0.2
181.06493	0.7
182.07265	1.1
183.07932	0.2
187.07570	0.7
188.08324	0.2
189.06964	0.4
190.07805	0.8
194.07285	0.3
195.07991	0.6
197.04456	7.1
197.09616	0.5
199.28499	0.2
203.08612	0.3
205.06459	0.2
205.10136	0.4
207.08063	1.1
208.08800	0.5
209.09634	0.3
210.06750	0.9
211.07460	0.5
212.08282	0.2
215.08569	0.3
218.07271	0.7
219.08023	0.5
221.05952	0.3
222.06787	0.3
223.07481	0.3
223.11273	0.2
225.05666	0.3
225.09084	1.2
233.09631	1.3
235.07512	0.7
236.08276	0.7
237.09134	0.3
238.06247	5.7
239.06767	0.8
240.07771	0.7
247.07631	0.5
249.05510	0.2
250.06288	1.1
250.10051	0.4
251.06956	0.5
251.10669	1.5
253.05005	0.2
253.08560	1.4
254.09265	0.2
261.09085	0.9
262.09494	0.2
263.07040	0.4
264.07742	0.6
265.08658	0.2
266.05746	4.3
267.06476	0.8
267.09937	0.2
268.07294	4.6
269.07892	0.8
275.20071	0.5
278.09381	0.2
279.10150	4.8
280.10507	0.4
281.08081	29.9
282.08536	2.4
283.09622	0.8
293.11557	0.5
293.14108	0.5
293.16989	0.2
293.20865	0.3
293.28204	0.3
295.05997	1.2
295.09344	0.3
296.06833	5.0
296.10367	0.6
297.07169	0.3
299.09113	0.4
311.09140	100.0
311.12354	3.5
311.14883	5.9
311.29422	0.4
312.09488	8.0
312.12762	0.4
312.15479	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0912
Annotation	Ocophyllal A
Peak:m/z	Relative Intensity
53.03952	1.7
55.01870	1.0
55.05507	0.8
57.07065	0.3
65.03939	2.9
65.08270	0.2
66.76285	0.2
67.05495	1.9
68.67511	0.2
68.99780	1.3
69.03424	0.4
69.07047	0.6
70.33908	0.3
70.34262	0.7
71.05054	0.2
73.82308	0.2
79.01821	0.3
79.05487	0.9
81.03410	4.8
81.07052	1.6
82.21848	0.2
82.50177	0.2
83.05000	0.4
83.08595	0.4
91.05476	0.7
93.03394	1.7
93.07037	0.6
95.04975	2.5
95.08597	0.8
97.10159	0.4
103.05468	0.3
105.07046	0.5
107.08623	0.4
108.02099	0.5
109.02901	0.3
109.10155	1.2
111.04450	0.6
117.07047	0.3
119.08534	0.5
121.02858	12.7
121.10143	0.5
123.04423	0.8
123.11678	0.5
125.09647	0.6
132.05708	0.4
133.06483	7.3
133.10123	0.3
135.04404	7.6
136.01556	0.6
136.04716	0.4
137.09549	0.3
139.03889	0.8
139.11185	0.4
149.02336	10.9
151.03925	1.3
159.04391	0.4
159.11719	0.3
165.07030	0.3
166.07834	0.2
167.03426	1.3
169.04961	1.1
169.06444	0.7
179.03383	22.8
180.03740	0.9
181.06474	0.4
182.07288	0.8
183.07993	0.3
184.08905	0.2
187.07521	0.4
189.11220	0.3
197.04437	7.0
197.06233	0.4
197.09592	0.7
198.04807	0.5
207.08075	0.7
209.05911	0.3
209.11736	1.3
210.06795	0.6
211.07480	0.3
223.07419	0.3
225.09047	1.5
233.09691	0.3
235.07520	0.4
237.11247	0.8
238.06241	5.3
239.06732	0.4
240.07759	0.8
247.69167	0.2
251.06807	0.3
253.08551	1.0
254.09534	0.3
261.09155	0.3
266.05731	3.6
267.06442	0.7
268.07297	4.5
269.07980	0.6
275.20273	0.4
279.10095	0.3
281.08069	30.3
282.08463	2.6
283.09805	0.4
293.20959	0.5
295.05994	1.2
296.06784	4.4
296.10031	0.3
297.07318	0.4
299.09195	0.5
311.09109	100.0
312.09451	7.2
312.12341	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	311.0913
Annotation	Ocophyllal A
Peak:m/z	Relative Intensity
51.02377	0.3
53.03944	2.7
55.01872	1.7
55.05509	2.0
57.03429	1.7
61.02915	0.6
65.03942	3.1
67.05511	2.2
68.99786	1.0
69.03430	4.3
69.07072	1.8
71.04996	0.5
73.02920	0.7
75.04476	0.5
77.03917	0.4
79.05493	11.2
80.85549	0.2
81.03416	7.8
81.07058	3.3
82.03771	0.3
83.04968	0.9
83.08604	0.8
85.02894	2.2
85.06544	0.4
87.04498	0.2
91.04942	0.4
91.05485	6.7
93.03423	1.3
93.07045	24.2
94.07367	0.5
95.04972	4.2
95.08612	2.2
97.02903	2.3
97.06528	0.6
97.10204	0.6
99.04442	0.8
101.02378	0.3
101.81451	0.2
103.03922	0.7
103.05472	1.4
105.04531	0.4
105.07020	4.2
107.04948	0.8
107.08595	7.9
108.02101	0.6
109.02889	2.1
109.06530	0.7
109.10143	1.1
111.04471	0.6
111.08079	0.9
111.11729	0.3
115.03947	0.3
116.06223	0.3
117.07021	0.5
118.04131	0.4
119.04944	0.7
119.08573	2.4
121.02875	11.3
121.06512	1.1
121.10146	22.8
122.03178	0.5
122.10483	0.8
123.04431	1.4
123.08061	1.1
123.11748	0.5
125.05980	0.5
125.09642	0.5
127.03922	0.8
129.07001	0.5
131.04936	0.6
131.08580	1.9
132.05666	0.6
133.06487	7.3
133.07501	0.5
133.10155	0.6
134.06874	0.3
135.04427	8.8
135.05463	0.4
135.08084	0.3
135.11714	0.6
136.01595	0.4
136.04750	0.3
137.02397	0.5
137.05960	1.3
139.03891	1.1
139.11241	0.5
141.05481	0.3
141.06975	0.8
143.08580	0.4
145.06459	0.4
145.10115	1.0
147.04352	1.2
147.08041	0.4
149.02338	10.9
149.05989	0.9
149.09616	5.5
149.13190	0.3
150.06746	0.3
151.03893	2.1
151.07565	0.7
152.06293	0.3
153.06865	0.3
155.04869	0.3
155.08501	0.3
157.10118	0.3
159.04367	0.5
159.08093	0.5
159.11714	0.4
161.05962	0.3
161.09500	0.2
163.03879	0.6
163.07538	0.3
163.11179	0.5
165.01810	0.3
165.05595	0.2
165.06987	1.0
165.09119	0.4
167.03371	1.6
167.10704	1.1
169.04941	1.2
169.06451	0.6
173.05994	0.3
173.09682	0.3
175.11133	0.3
177.05482	0.6
179.03394	22.1
180.03654	0.5
181.06470	0.5
182.07256	0.7
183.04369	0.3
183.08243	0.3
187.07555	0.9
190.07733	0.5
191.07016	0.9
191.08592	0.4
195.08073	0.4
195.36382	0.3
197.04454	7.7
197.05952	0.3
197.09650	0.8
198.04791	0.4
201.09265	0.3
203.07101	0.3
205.10201	0.3
207.08041	0.7
208.08838	0.6
210.06718	0.3
211.07567	0.6
219.08084	0.7
223.07518	0.3
223.11153	0.4
225.08980	1.6
227.06929	0.3
228.95927	0.3
233.08087	0.8
236.08307	0.5
238.06242	4.7
238.22197	0.3
239.06935	0.5
240.07704	0.5
241.08392	0.3
245.08218	0.5
251.07071	0.3
251.10706	1.1
253.04956	0.3
253.08656	0.9
255.10251	0.3
261.09006	0.4
263.06921	0.3
264.07813	0.5
266.05704	4.6
267.06458	0.7
268.07300	4.7
269.07990	0.8
270.08862	0.3
275.20065	0.5
279.10205	1.6
281.08084	29.0
282.08432	2.2
283.09665	0.7
283.13092	0.5
293.13840	0.8
295.05905	1.2
296.06796	5.9
296.10263	0.5
297.07086	0.5
299.08936	0.5
311.09131	100.0
312.09479	6.8
312.12775	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1276
Annotation	7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one
Peak:m/z	Relative Intensity
53.03947	0.7
55.01865	2.0
55.05502	0.8
57.07072	0.7
65.03928	1.8
67.05509	3.3
68.99765	0.9
70.60017	1.6
79.05495	1.7
81.03392	0.7
81.07056	1.2
89.03909	3.9
91.05477	11.9
95.04966	1.4
95.08563	0.6
103.05464	4.8
105.07011	2.1
107.04942	1.8
108.02052	0.7
109.06513	1.3
111.04416	0.6
115.05454	5.2
116.06238	3.7
117.03365	5.1
117.06979	1.6
119.04911	2.3
121.02855	1.3
121.06458	1.0
122.03599	1.3
123.04417	1.9
128.06195	1.6
129.07001	2.4
131.04930	5.9
131.08554	4.4
133.06404	1.5
134.03621	1.8
135.04407	2.1
137.04945	0.7
137.05975	11.5
138.06296	0.7
140.62122	0.5
141.05435	1.2
141.06998	4.7
143.04803	0.6
143.08540	0.7
144.05695	4.6
145.06500	3.3
147.04370	1.4
147.08025	1.1
148.05220	0.5
149.02319	1.2
149.05977	26.4
150.06534	0.9
151.03911	28.8
151.05014	4.2
151.07549	3.1
152.06219	1.1
153.06989	1.2
158.07225	0.9
159.04364	0.8
159.08051	24.4
160.08438	0.9
161.06000	3.8
163.07474	1.2
165.07033	3.4
166.07733	2.1
167.08597	3.7
169.06410	3.0
171.08122	1.0
177.05475	2.6
177.06932	0.8
179.03368	2.3
179.08519	1.8
180.09370	1.7
181.06473	3.6
181.10017	0.9
182.07306	3.7
183.08072	1.0
185.05986	0.7
187.07535	10.6
188.08347	2.8
189.06990	2.5
190.07751	6.7
191.08508	1.8
193.06476	1.4
194.07225	2.8
195.08018	6.1
195.11755	1.1
197.06033	1.2
197.09535	0.8
197.13029	0.6
199.07440	1.2
202.07747	1.3
203.08488	2.6
204.09291	2.0
205.10114	5.9
207.08034	5.0
208.08794	5.6
209.05937	2.2
209.09572	3.5
209.11684	1.7
210.06709	5.2
211.07571	3.3
212.08133	0.9
215.08495	1.8
218.07245	5.8
219.08018	3.7
221.05960	2.4
221.09657	1.1
222.06697	2.7
222.10388	1.6
223.07555	10.8
223.11139	8.1
224.08015	1.0
225.09035	3.0
226.06262	1.0
227.07060	3.1
232.08728	1.4
233.06047	0.9
233.09601	11.5
234.06706	0.7
234.10051	1.7
235.07527	7.3
236.08353	5.7
237.09138	5.6
237.11220	0.9
238.06221	1.9
239.07010	4.0
240.07724	2.1
240.11443	0.9
241.08566	1.7
241.12184	0.8
242.09340	1.0
247.07475	1.2
249.09070	0.8
250.06250	2.8
250.09795	3.7
251.07016	3.7
251.10638	15.6
252.07765	0.6
252.11115	1.9
253.08582	8.1
254.09320	5.1
255.06441	2.3
255.10062	1.4
256.07211	0.7
261.09085	8.3
262.09500	1.0
263.06973	1.7
264.07797	3.3
265.08392	1.2
265.12234	4.1
267.06470	1.4
267.10043	0.9
268.07382	3.1
268.10855	4.2
269.07956	1.4
269.11636	4.2
270.08807	6.6
278.09369	2.5
279.10150	45.6
280.10614	4.2
281.08008	5.9
281.10889	0.9
282.08694	3.0
283.09738	5.8
283.13248	53.2
284.13681	2.8
293.11667	10.3
294.12213	0.8
295.13184	1.3
296.07068	1.1
296.10315	8.1
297.11090	4.6
311.09186	9.4
311.12714	100.0
312.09717	1.1
312.13229	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	311.1276
Annotation	Porphine
Peak:m/z	Relative Intensity
53.03922	2.8
55.01848	1.6
55.05498	2.7
57.32189	0.8
67.05482	3.1
69.03427	2.2
69.07043	2.1
69.93887	0.8
70.33479	2.2
71.04978	1.3
72.08137	1.5
79.05478	5.6
81.03427	4.8
81.07043	3.7
83.04960	1.0
83.08602	1.3
85.02898	2.0
91.05463	3.9
93.06516	0.9
93.07039	10.7
95.04938	3.0
95.08575	3.4
97.02834	0.9
103.05447	3.7
105.03389	15.5
105.07003	3.5
107.04932	1.5
107.08563	2.4
107.19531	0.9
109.02868	1.7
109.06488	1.5
109.10143	1.4
111.04401	1.3
114.10220	1.0
115.05421	1.1
119.08507	1.5
121.06438	2.4
121.10134	10.2
123.04395	1.3
129.06953	1.2
131.04871	1.0
131.08539	2.6
133.06458	0.9
137.05980	8.1
145.06479	0.9
145.10159	1.3
145.78122	0.8
147.04393	1.0
147.11650	1.2
149.05975	1.5
149.08623	1.1
149.09637	11.5
151.03885	1.2
159.08080	1.2
161.05940	2.9
163.03908	1.3
165.06972	2.0
167.10678	1.4
171.07971	1.3
175.07399	1.0
178.07631	1.2
181.04916	3.2
181.06401	1.2
187.07532	2.2
189.07014	1.1
190.07713	2.8
191.06953	1.2
191.08525	4.5
193.06436	1.4
194.07195	1.6
195.08080	1.2
197.09573	1.6
198.96761	0.9
205.06416	2.7
206.07152	1.1
207.07971	2.4
208.08769	2.8
209.09560	1.6
210.06766	2.1
211.07393	1.1
218.07292	2.0
219.07986	6.3
220.08746	3.5
221.05882	5.5
221.09622	1.2
222.06592	1.0
223.07494	1.2
224.08257	1.0
225.09100	10.1
233.05965	1.2
235.07510	4.0
236.08321	5.2
237.05305	0.9
237.09129	7.5
238.06215	1.3
239.07001	1.0
239.10568	1.6
240.07626	1.1
240.11400	2.0
242.72607	0.8
247.07492	2.0
248.08411	2.2
249.05363	3.0
249.08965	1.2
250.06155	2.1
251.10654	12.8
253.08604	10.8
261.09009	1.4
263.07092	1.2
264.07773	4.5
265.08633	9.1
267.09979	5.1
268.10974	6.9
279.10126	17.2
280.10751	5.5
281.08005	5.9
293.08267	1.2
293.11301	1.7
293.20776	1.2
295.09625	1.3
296.10406	22.3
297.10699	1.9
311.09320	5.1
311.12653	100.0
312.12689	7.2
312.16187	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1276
Annotation	Demethylmoracin I
Peak:m/z	Relative Intensity
51.43788	1.0
53.03928	1.4
55.01874	8.5
55.05509	7.4
65.03932	1.3
67.05508	11.0
69.03413	2.5
69.07074	5.5
69.33108	8.4
71.04972	1.9
79.05486	10.6
81.03405	5.0
81.07061	11.3
83.04964	4.7
83.08607	4.7
85.02863	2.3
85.06531	1.3
91.05492	9.5
93.07034	13.4
94.04218	1.4
95.04963	11.0
95.08588	5.4
97.06532	1.9
97.10138	3.6
103.05438	5.4
105.07014	12.7
107.04926	2.6
107.08568	4.3
108.40868	1.1
109.06504	3.0
109.10162	2.0
111.04479	1.3
111.08088	1.2
114.10243	1.4
115.05460	5.8
117.07011	3.7
119.04964	1.6
119.08590	2.8
121.02875	1.3
121.06477	1.7
121.10133	8.4
122.03643	6.3
123.04423	6.3
124.05206	3.4
125.09632	21.2
129.06984	2.1
131.04900	6.0
131.08537	4.5
133.02812	1.9
133.06494	4.9
133.10115	2.7
135.04405	2.9
135.11694	1.5
137.05966	60.3
138.06279	1.7
141.07019	9.3
143.04913	2.8
145.06535	1.6
145.10117	2.5
146.03630	13.1
146.44963	1.4
147.04388	7.5
147.11627	1.9
149.05986	6.7
149.09622	9.2
150.06757	1.4
151.07498	3.7
152.06212	1.3
153.06990	2.6
154.07747	1.5
157.06471	2.0
159.08078	1.9
161.05972	66.6
162.06439	2.8
163.03918	4.2
163.07506	3.7
163.11221	1.8
165.06963	2.9
169.06465	8.6
173.05998	2.0
177.05344	1.5
180.05856	1.2
181.04970	1.4
181.06448	13.5
182.05760	1.4
182.07176	5.6
187.07550	21.8
189.06949	2.1
189.11151	1.8
190.07835	7.5
191.08554	2.4
192.05688	2.9
195.08080	2.2
197.05959	2.5
199.07568	1.8
202.07767	1.3
203.08543	2.8
205.06511	1.7
205.10208	6.5
206.05727	3.3
207.08009	1.5
209.06032	9.2
210.06746	19.8
211.07310	3.0
215.08531	2.9
218.07242	7.0
219.07993	5.4
221.05998	26.5
221.07986	2.7
222.06491	2.4
223.07521	3.4
223.13231	2.1
224.08281	5.4
225.05486	3.7
225.08961	1.9
226.06177	3.7
227.07004	11.3
233.05966	2.7
233.09637	14.3
235.07526	4.2
236.08276	4.2
237.05481	20.6
237.09048	1.6
238.06232	43.3
239.06944	7.0
240.07690	2.0
241.08557	4.5
243.08247	1.5
246.06813	1.7
247.07404	3.6
249.09290	1.7
250.06245	3.2
250.09920	2.5
251.06894	3.6
251.10732	13.0
252.07677	4.0
253.08530	4.1
255.06505	30.3
256.07019	2.3
257.07971	3.5
261.09113	12.1
262.09622	1.6
263.06909	1.6
264.07712	3.9
265.08578	3.2
265.12225	3.7
269.08051	14.8
270.08847	49.3
271.09192	2.8
275.20071	8.3
278.09286	2.7
279.10159	53.4
280.10822	5.6
281.07938	1.5
281.11365	1.6
283.09641	3.4
283.13245	3.8
293.08514	1.7
293.11484	6.9
293.21127	6.8
296.10190	5.5
311.09256	6.3
311.12708	100.0
312.12918	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1277
Annotation	Porphine
Peak:m/z	Relative Intensity
51.02374	1.1
53.03947	5.9
53.16795	0.7
55.01862	3.2
55.05514	4.4
57.03428	3.0
61.02925	1.3
65.03923	1.3
67.05495	3.7
69.03432	13.1
69.07066	1.3
71.04993	1.6
71.31585	1.0
73.02911	1.0
77.03914	1.8
79.05494	24.6
81.02972	1.0
81.03417	15.9
81.07053	4.8
83.04984	1.3
85.02900	9.5
85.06503	0.9
91.05476	28.4
93.07045	63.9
94.04156	1.1
94.07355	1.4
95.04977	5.8
95.08611	3.2
97.02895	4.2
97.06519	1.8
99.04462	1.4
103.05469	100.0
104.05753	2.0
105.04501	2.3
105.07033	13.7
106.07853	1.3
107.04958	7.5
107.08595	16.1
109.02882	6.3
109.06499	2.2
109.10139	1.5
111.08048	1.3
115.05456	2.9
116.06220	1.4
117.07002	2.2
119.04959	14.1
119.08587	5.3
121.06533	5.0
121.10146	51.5
122.03633	1.3
122.10480	1.4
123.04453	6.0
123.08038	1.6
125.05981	1.8
127.03897	3.4
129.06975	1.4
131.04926	68.8
131.08554	9.5
132.05684	2.4
133.06473	4.0
133.07486	1.2
133.10123	1.6
135.08055	3.4
135.11743	1.0
137.05975	26.6
139.11172	1.2
141.06999	9.7
144.05594	1.4
145.06473	2.1
147.04413	44.5
147.11745	1.4
148.05101	2.5
149.05978	26.0
149.09624	18.8
150.06442	1.1
151.03931	1.7
151.07584	4.4
153.05486	1.1
159.08041	7.9
161.05975	4.8
163.07549	20.2
163.11148	0.9
164.08324	33.7
165.06943	1.0
165.09111	4.2
167.10669	2.1
169.06479	10.5
169.07747	1.2
171.11714	1.0
173.05988	20.6
174.06721	1.3
175.07524	1.1
175.11244	1.2
178.04788	0.8
179.07066	10.1
179.08586	1.1
180.07780	1.8
181.08513	0.8
187.07541	26.7
188.07956	1.0
189.07007	1.0
190.07751	3.2
191.08524	2.0
201.09126	1.2
202.07590	0.9
205.10138	2.8
207.08012	1.8
215.08568	1.1
218.07257	3.1
219.08101	5.1
222.06815	1.3
223.07605	1.1
223.11226	0.9
225.09000	1.3
233.09641	9.9
235.07565	5.7
236.08286	2.7
237.09001	2.4
239.07164	0.9
247.07512	1.5
250.06149	0.9
250.09938	4.8
251.06990	1.1
251.10677	5.1
252.10829	0.8
253.08589	2.0
255.06660	1.0
261.09109	7.5
262.09647	1.1
263.06897	1.5
264.07822	1.6
265.12234	3.2
268.11008	1.4
269.11646	0.9
275.10535	1.0
278.09323	3.4
279.07388	0.9
279.10126	6.4
280.10721	1.2
281.08112	1.4
282.08762	1.2
283.13065	1.5
293.11520	11.6
294.12021	1.4
296.10397	5.7
311.12726	82.0
312.13159	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	311.1277
Annotation	Anolignan A
Peak:m/z	Relative Intensity
53.03952	1.6
55.01874	2.3
55.05510	1.3
57.03428	1.0
59.18346	0.5
59.46476	0.5
65.03949	2.1
67.05512	1.9
69.03441	3.8
69.07066	1.7
69.24828	4.5
71.04993	0.6
77.03960	0.6
79.05489	8.9
81.03423	6.0
81.07058	3.3
83.08640	0.8
85.02918	2.7
85.06553	0.8
91.05478	39.0
92.05798	1.4
93.07044	19.9
94.04198	1.5
94.07371	1.0
95.04967	3.1
95.08613	2.0
97.02895	1.5
97.06552	0.7
99.04422	0.7
102.04685	0.6
103.05470	23.7
104.06287	1.3
105.04541	0.8
105.07034	8.7
107.04954	4.3
107.08607	4.7
109.02877	2.4
109.06528	1.5
109.10105	0.9
111.04452	0.6
111.08063	0.9
115.03897	0.6
115.05452	11.0
116.06224	1.2
117.07020	1.7
119.04942	31.4
119.08578	3.3
120.05208	0.8
121.06566	2.5
121.09277	0.9
121.10145	18.5
122.03646	2.8
123.04430	4.0
123.08060	0.9
123.11639	0.6
125.09605	0.7
127.03920	1.7
128.06206	0.7
129.07007	1.4
131.04926	13.3
131.08559	7.8
133.06485	3.8
135.08041	2.3
135.11728	0.7
137.05972	27.6
139.11145	0.7
141.06985	29.6
142.07359	0.7
143.04947	1.3
144.05728	4.7
145.05067	0.6
145.06471	3.1
147.04407	100.0
148.05203	6.2
149.05977	7.3
149.09601	8.5
151.03929	0.8
151.07541	9.6
157.06512	0.7
159.08052	12.2
160.29913	0.5
161.05975	10.8
161.07181	1.0
162.06715	1.0
163.07550	15.6
163.11275	0.7
164.08324	12.8
165.06924	0.8
165.09125	2.6
167.10657	1.3
169.06482	21.7
169.07681	1.0
170.06836	0.8
173.06012	3.7
175.07547	1.2
177.05492	0.9
184.05188	1.4
187.07538	54.4
188.07907	2.9
189.08990	0.6
190.07745	2.8
191.08553	1.1
191.10657	0.7
201.09045	1.3
203.08636	0.6
203.24268	0.6
205.10139	4.2
207.08069	1.8
215.08569	1.3
218.07231	3.2
219.08060	1.3
232.08936	1.3
233.09608	7.6
235.07497	2.4
236.08272	2.0
237.09068	0.7
239.06996	2.1
247.07562	1.3
247.11145	0.6
249.09055	0.7
250.09850	1.3
251.10638	4.0
253.08572	2.4
261.09137	6.3
262.09720	0.6
263.06995	1.1
264.07709	2.0
265.08578	1.0
265.12161	3.5
267.06580	2.5
269.08044	0.8
269.11374	0.6
270.08710	0.7
275.10599	1.1
278.09402	2.9
279.10138	8.1
280.10773	1.1
281.07916	2.8
282.08774	6.7
283.09454	1.4
283.13028	0.8
293.11386	5.5
293.14551	0.8
293.21198	0.5
296.10352	5.8
311.09695	1.2
311.12701	29.9
312.12985	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1277
Annotation	Harringtonolide
Peak:m/z	Relative Intensity
51.02375	1.3
53.03940	3.8
55.01868	6.9
55.05502	2.9
65.03938	5.8
67.05502	5.5
68.99781	1.7
69.03415	2.3
69.07050	3.0
70.47299	1.7
71.04990	1.0
77.03950	0.9
79.05492	12.7
81.03421	7.2
81.07058	6.9
83.04977	2.8
83.08605	1.2
85.02900	1.3
87.04481	1.0
89.03895	1.9
91.05480	51.0
92.05817	1.4
93.03418	2.6
93.07046	9.3
94.04193	6.5
95.04975	11.0
95.08628	4.0
97.06544	1.5
97.10152	1.0
99.04455	0.9
103.05470	55.2
105.03418	1.6
105.07020	8.9
106.04210	0.9
107.04955	6.3
107.08597	4.3
109.02865	0.9
109.06511	5.5
109.10125	3.0
111.04469	1.3
115.05460	38.7
116.06328	4.9
117.03366	1.7
117.07022	4.3
119.04948	17.0
119.08570	1.6
121.02865	13.6
121.06487	2.7
121.10142	5.2
122.03638	10.7
123.04433	19.8
125.09639	8.5
128.06210	1.9
128.48708	0.8
129.06992	5.8
131.04927	26.6
131.08557	13.1
132.05620	1.2
133.06503	9.8
133.10205	0.9
135.04445	7.4
135.08035	2.9
136.01566	1.2
137.05977	84.9
138.06308	2.4
139.07529	2.3
141.06989	40.1
142.07368	1.6
143.04903	1.7
144.05707	10.5
145.06483	7.1
147.04410	31.2
148.05188	7.4
149.02362	10.1
149.05989	10.4
149.09633	2.3
151.03940	5.5
151.07539	20.3
152.07872	1.0
153.06956	1.2
157.06429	2.8
159.04369	1.4
159.06726	1.9
159.08054	30.1
161.05980	12.9
163.03893	1.3
163.07542	25.1
164.08342	8.0
165.07007	3.2
165.09038	1.7
166.07722	1.0
167.03525	1.0
167.07065	1.6
167.08556	1.0
167.10609	1.1
168.05685	1.7
169.06461	18.7
170.07185	0.8
173.06010	2.8
174.06781	0.9
175.07501	2.3
177.05513	0.9
179.03380	19.6
179.08556	2.8
181.04932	2.0
181.06453	1.8
182.07219	1.3
183.08064	2.2
186.06764	1.6
187.07545	53.5
188.08072	3.4
189.07002	3.9
189.08926	1.1
190.07806	9.0
191.08424	1.2
193.06592	1.0
194.07321	1.7
195.08015	2.3
197.04401	6.5
197.05917	1.4
201.09064	4.8
202.07791	1.0
202.09875	0.9
203.08585	2.5
204.09293	1.5
205.06419	1.7
205.10138	10.1
207.08038	3.8
208.08800	2.0
209.09569	2.3
210.06818	1.4
211.07567	3.1
212.08249	1.6
215.08592	4.2
218.07259	10.7
219.08022	4.9
221.06032	2.7
222.06552	1.4
223.07538	3.5
223.11201	3.2
224.08177	1.2
225.09117	3.7
231.08037	1.4
232.08801	2.0
233.09605	24.4
234.10120	1.6
235.07500	7.4
236.08228	4.1
237.09062	2.7
238.06172	5.3
239.07047	3.8
240.07634	1.6
246.06732	1.9
247.07541	4.5
249.09196	1.2
250.06194	1.7
250.09944	3.6
251.06923	2.2
251.10669	9.4
252.11259	1.2
253.08601	6.6
254.09438	1.7
261.09137	17.5
263.06992	4.3
264.07800	7.0
265.08655	4.0
265.12146	6.1
266.05753	4.6
267.06628	2.9
268.07318	5.5
268.10818	1.3
269.08154	1.1
269.11520	1.1
270.08746	1.8
275.10574	1.6
275.20044	2.3
278.09326	4.4
279.10138	17.4
280.10715	2.8
281.08078	30.8
282.08688	4.5
283.09641	3.8
283.13275	12.8
293.11560	5.8
293.21170	2.0
295.05936	1.0
296.06818	4.9
296.10410	10.2
311.09106	100.0
311.12756	50.0
311.23413	1.3
312.09421	6.5
312.13141	2.9
312.25040	3.5
315.08667	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.4
53.24844	0.4
55.01880	0.8
55.05503	1.3
57.67408	0.4
67.05505	1.6
69.03421	0.9
69.07060	1.1
70.62565	0.8
71.04983	0.7
76.19427	0.4
78.52617	0.4
79.05479	2.3
81.03416	0.4
81.07068	2.2
83.08631	0.7
85.00220	0.4
91.05475	1.2
93.07022	2.6
95.04980	0.5
95.08608	1.5
97.06534	0.9
97.10151	0.7
105.03271	0.4
105.07034	1.3
107.08587	0.9
109.10143	1.0
119.08556	0.7
121.10132	1.6
123.08057	1.6
125.09649	0.9
131.08545	0.6
133.06531	0.6
133.10075	0.6
137.05956	0.9
137.09560	0.7
149.09607	2.1
151.07578	1.2
177.71475	0.4
179.03358	0.6
181.04976	1.4
250.06294	0.4
275.20099	0.9
281.08072	0.6
293.13980	0.5
293.20926	0.8
296.06662	0.4
311.08923	2.7
311.14633	100.0
312.15109	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	311.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.6
55.01878	0.9
55.05504	1.5
67.05497	3.7
69.07060	1.6
69.33004	1.2
69.33413	2.6
71.04991	0.9
72.08134	0.8
79.05489	3.6
81.03407	1.1
81.07045	4.3
83.08598	1.3
91.05486	2.3
93.07053	3.4
95.04988	0.7
95.08604	2.2
97.06537	1.1
98.23336	0.6
105.03392	0.8
105.07051	1.8
107.08602	1.5
109.06548	0.9
109.10140	1.8
111.08073	0.8
114.10325	0.9
119.08581	1.5
121.06521	1.1
121.10147	2.8
125.09649	1.2
131.08559	1.1
133.10092	0.7
135.11729	0.6
137.06009	2.2
137.09633	1.0
141.93564	0.6
145.10165	0.9
147.04419	0.8
147.08122	0.7
147.11624	0.7
149.09618	1.4
151.04031	0.5
151.07500	0.8
151.11218	0.5
159.11670	1.0
179.03497	0.9
181.04991	2.1
190.07687	0.5
191.08611	0.9
219.08133	1.6
236.08176	0.6
244.60143	0.5
251.10771	1.5
261.09122	0.6
270.08765	0.8
275.20111	1.9
279.10141	2.2
293.13742	0.7
293.21194	1.5
296.10602	0.6
311.09018	4.4
311.14685	100.0
312.15103	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	311.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.1
55.01878	2.0
55.05509	5.7
57.03431	3.8
59.87687	0.8
65.03935	1.2
66.21477	0.9
67.05511	4.1
69.03434	17.2
69.07064	1.6
69.77778	3.9
71.05002	1.5
73.02918	1.2
77.03925	1.4
79.05493	38.5
81.03419	18.6
81.07055	7.0
83.05015	1.1
85.02907	13.3
91.05479	25.8
93.07045	100.0
94.07401	1.9
94.63998	1.0
95.04977	7.1
95.08613	3.8
97.02299	1.7
97.02872	9.1
97.06551	2.1
98.23293	1.1
99.04455	3.5
103.05463	25.0
105.04528	2.6
105.07033	17.1
107.04977	2.2
107.08598	23.7
109.02879	7.4
109.06514	2.5
109.10181	1.3
111.04446	1.1
111.08086	3.1
115.05418	1.1
116.06208	1.7
117.07021	2.2
119.04949	3.0
119.08567	10.0
121.06517	2.9
121.10147	75.7
122.10503	2.7
123.04436	2.0
123.08075	2.3
127.03935	5.2
129.07010	1.1
131.04939	15.0
131.08582	8.4
133.04909	1.1
133.06508	1.5
133.07542	1.1
133.10136	2.5
135.08043	2.0
137.05969	9.2
138.09094	1.1
139.11237	1.5
141.07043	4.8
145.06479	1.3
145.10101	1.6
147.04417	11.4
149.05975	7.9
149.09610	22.0
151.07518	1.2
153.01805	1.5
159.08067	3.0
159.11584	1.3
161.06006	1.7
163.07527	5.1
163.11232	2.1
164.08336	7.5
165.07091	1.2
165.09134	1.8
167.09344	1.0
167.10675	5.1
169.06511	3.6
169.10057	0.9
173.05971	4.4
179.06937	1.7
181.04967	1.3
187.07536	8.4
189.07021	1.1
191.08554	1.1
191.10655	0.9
207.40276	0.9
218.07382	2.1
219.08023	2.3
222.06793	1.2
233.09608	2.6
235.07539	1.6
250.09784	1.4
251.10777	2.7
261.09164	2.5
279.10129	4.2
293.11295	2.0
293.14148	2.9
296.10492	1.3
311.09329	1.5
311.12573	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	311.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.8
53.03945	7.0
55.01875	2.5
55.05512	5.7
57.03433	4.9
59.04982	1.0
61.02956	0.9
61.07244	0.7
62.57452	0.7
62.73596	0.7
63.84303	0.7
65.03941	1.7
67.05509	5.4
69.03432	24.6
69.07072	3.1
71.04993	2.9
71.31827	1.0
73.02916	2.0
73.06556	0.7
75.04467	1.3
77.03931	1.5
78.67498	0.7
79.05495	35.5
80.05847	1.0
81.03421	33.9
81.07063	8.5
82.07359	0.7
82.21777	0.9
83.01344	0.8
83.04993	1.0
83.08641	0.9
85.02917	15.0
85.06541	1.7
87.04494	1.6
91.05486	24.0
93.07048	100.0
94.07375	2.4
95.04964	6.4
95.08608	5.3
97.02897	7.1
97.06543	2.2
99.04446	4.3
103.05455	5.6
105.07032	17.6
106.07850	1.1
107.04973	2.0
107.08596	21.0
108.08950	0.7
109.02884	14.1
109.06525	3.0
109.10139	3.5
111.04493	1.2
111.08105	2.2
115.05466	2.2
116.06259	1.1
117.07053	1.0
119.04943	1.1
119.08586	11.7
121.06547	3.8
121.10149	87.2
122.03687	1.3
122.10470	1.8
123.04465	2.3
123.08073	2.5
123.11710	2.0
124.33419	0.7
125.05975	1.0
127.03907	6.8
129.06973	1.8
131.04927	3.4
131.08569	10.0
133.06544	1.5
133.07611	1.8
133.10176	2.2
135.04382	0.8
137.05991	9.1
139.11191	2.0
141.06998	2.3
143.08615	1.0
145.06412	0.9
145.10165	1.7
147.04413	5.8
147.08041	0.9
147.11674	1.2
149.02339	5.3
149.05974	3.4
149.09624	32.6
150.06740	1.3
150.09953	1.4
159.08049	2.1
159.11731	1.0
161.06001	6.2
161.09634	0.9
163.07594	0.8
163.11188	1.5
164.08322	0.8
167.10719	6.8
169.06575	1.5
169.10130	0.9
173.09660	1.4
175.07492	0.8
181.06500	1.2
187.07573	5.1
190.07762	0.9
191.08670	1.1
201.09209	0.8
203.10562	0.7
210.06807	1.3
211.07391	0.9
213.07562	1.0
218.07236	1.0
219.08067	2.1
221.06015	2.0
227.07140	1.2
233.09712	2.4
235.07536	0.9
236.08308	1.1
237.05460	1.2
238.06277	3.0
239.06837	1.1
239.14337	0.8
247.07616	0.9
250.06213	1.0
251.10732	2.4
253.08710	1.5
255.06522	2.9
261.09128	1.8
264.07962	1.2
265.08798	1.1
265.12192	1.3
265.19650	1.1
269.08124	1.0
270.08972	3.6
279.10184	8.7
280.10785	1.2
281.07928	1.1
283.09531	1.3
293.13931	10.8
293.21103	1.0
296.10397	1.3
311.09131	4.2
311.12833	15.4
311.18304	1.1
311.20068	0.9
312.13190	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.6
53.03951	7.1
55.01876	1.8
55.05513	5.6
56.05605	0.6
57.03430	4.8
61.02917	1.7
64.40372	0.7
65.03931	0.9
67.05502	4.4
69.03426	20.6
69.07067	1.7
71.01350	1.0
71.04981	2.6
71.32749	0.9
73.02904	1.5
75.04476	2.3
77.03943	1.6
79.05492	41.6
81.03413	19.1
81.07055	7.9
83.04996	1.0
83.08615	1.2
85.02897	12.9
85.06576	0.9
87.04455	1.2
91.05481	22.5
93.07041	100.0
94.07380	2.0
95.04971	7.2
95.08620	4.0
97.02893	9.9
97.06505	1.5
99.04457	3.7
101.02366	1.0
103.03934	1.0
103.05457	4.3
105.04519	1.7
105.07029	14.5
107.04959	1.5
107.08591	25.8
109.02863	9.3
109.06519	1.1
109.10168	1.4
111.04405	0.8
111.08069	3.2
115.05452	1.3
116.06236	1.0
117.07001	1.7
119.04973	2.2
119.08585	10.5
121.02946	1.0
121.06498	2.6
121.10139	84.9
122.10473	2.6
122.76624	0.6
123.04419	1.4
123.08102	2.0
123.11719	1.5
125.02367	0.9
127.03916	4.9
129.06998	1.5
131.04918	1.2
131.08575	6.6
131.84732	0.7
133.06442	0.8
133.07588	1.1
133.10156	1.7
135.08090	0.7
137.05981	4.7
139.11188	2.3
141.07010	1.8
143.08492	0.7
145.04924	1.1
145.06523	1.0
145.10109	2.3
147.04393	4.8
147.11641	0.9
149.05945	0.9
149.09622	17.7
151.07523	1.1
159.08084	1.8
159.11642	0.8
161.05959	3.1
161.09586	0.8
162.59439	0.6
163.07585	1.7
163.11136	2.0
167.10681	6.8
169.06554	1.3
173.09560	1.2
175.11224	0.9
184.05165	1.5
187.07565	3.0
191.10721	1.2
193.01340	4.4
195.08070	0.9
211.02332	1.5
215.10605	0.7
219.08054	0.7
223.11064	0.9
233.09572	1.1
241.08723	0.7
248.59961	0.6
251.10631	1.7
261.09134	1.1
264.07654	0.9
265.08545	0.9
268.03430	1.0
279.10120	2.5
282.08542	0.8
293.13977	5.4
296.03409	0.8
296.10193	1.2
311.05740	11.2
311.09052	4.1
311.12698	6.8
312.05942	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.3
53.87386	0.9
54.63877	0.8
55.01868	4.7
55.05252	1.9
55.05509	24.6
57.03455	4.4
57.07066	6.7
59.04996	2.6
63.14296	0.8
63.62285	0.9
65.03942	3.1
67.05504	16.3
69.03429	22.4
69.07066	53.7
69.65293	2.8
69.65697	2.1
71.01340	1.2
71.04977	4.7
71.08617	2.8
73.02898	2.2
77.03882	1.6
79.05494	34.1
80.05824	1.1
81.03416	34.7
81.07055	38.0
83.04977	2.1
83.08617	17.2
85.02903	14.5
85.06532	8.6
85.10193	1.0
87.04477	1.2
91.05474	33.1
91.06039	1.7
93.07040	82.2
94.04148	1.0
94.07372	2.8
95.04961	6.9
95.08601	30.4
97.02901	5.1
97.06515	4.2
97.10178	10.1
99.04459	4.2
99.08074	5.3
100.11219	1.0
103.05473	13.8
105.04525	1.3
105.07033	24.6
106.07851	1.8
107.04946	2.6
107.08583	20.9
107.09249	1.7
109.02877	12.4
109.06483	4.9
109.10162	18.3
111.04477	2.1
111.08072	4.5
111.11709	7.5
113.09641	1.1
115.05462	3.6
116.06226	2.5
117.07034	2.8
119.04947	7.9
119.08589	10.7
121.02887	3.7
121.06498	6.4
121.10142	100.0
122.03642	1.5
122.10496	3.2
123.04445	3.1
123.08089	5.5
123.11702	12.2
125.09622	2.6
127.03929	6.3
129.06995	2.9
129.29877	0.9
131.04926	6.0
131.08580	13.0
133.06471	2.1
133.07591	2.1
133.10127	2.7
135.04422	2.7
135.08037	1.6
135.11693	5.8
137.05971	11.3
137.09636	1.2
137.13251	4.2
139.11166	7.2
141.06995	7.6
144.05644	1.5
145.10115	2.7
147.04404	22.1
147.11696	1.3
148.05179	1.2
149.02321	1.9
149.05989	3.6
149.09610	45.6
149.10822	2.2
149.13208	4.5
150.09995	1.7
151.03954	1.6
151.07523	3.4
151.14804	1.6
159.08038	5.0
159.11703	1.4
161.06015	3.9
163.07559	5.3
163.14861	1.9
164.08334	3.7
165.07007	1.1
165.09128	1.3
165.16414	1.5
167.10677	6.9
169.06465	5.8
173.06027	1.3
173.09561	1.1
177.16299	1.3
179.03445	6.1
179.17902	1.2
187.07545	15.7
190.07758	2.5
194.07274	1.2
197.04445	2.3
205.10132	1.6
211.07462	1.4
216.98192	1.0
218.07346	1.5
221.05908	1.3
225.09091	1.6
233.09619	4.4
237.09251	1.3
238.06367	2.3
239.06961	1.7
239.17958	1.1
247.07655	1.3
251.06821	1.1
251.10757	3.4
253.08632	1.7
261.09103	3.7
264.07819	2.0
265.08572	1.1
266.05841	1.7
267.06573	1.1
268.07199	1.0
275.20038	3.8
275.27359	1.9
279.10193	5.0
281.08038	8.8
282.08774	1.8
283.13184	2.9
293.14020	12.8
293.21030	2.7
293.28314	4.6
294.14371	1.4
296.07059	2.2
296.10394	5.6
311.09109	27.7
311.12775	17.9
311.29449	19.0
312.09482	2.0
312.29919	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.0
51.47389	0.8
53.03945	5.6
54.19082	0.7
55.01868	3.0
55.05501	5.7
57.03434	3.8
59.04999	1.0
61.02927	1.4
62.83450	0.7
64.81059	0.7
65.03933	1.3
67.05499	4.6
69.03429	22.4
69.07083	1.0
71.04987	2.0
71.36149	1.0
73.02908	1.3
75.04479	0.9
76.95058	0.9
77.03924	1.5
79.05491	36.2
80.05846	1.1
81.03409	25.0
81.07061	6.2
83.04978	2.2
85.02901	16.7
87.04457	1.5
91.05477	28.2
91.06058	1.6
93.07041	100.0
94.04182	0.8
94.07362	2.0
95.04964	5.6
95.08614	3.1
96.81219	0.8
97.02903	6.9
97.05326	0.7
97.06549	1.8
98.49252	0.8
99.04462	3.3
103.05468	8.1
105.04505	2.2
105.07025	20.2
107.04963	4.7
107.08588	21.9
108.05315	0.9
109.02870	8.9
109.06510	2.0
109.10140	1.1
111.04456	1.2
111.08089	2.1
115.05454	3.7
116.06248	1.8
117.07028	1.8
119.04938	2.2
119.08588	7.8
121.06519	4.8
121.10139	80.9
122.07237	2.1
122.10490	2.4
123.04448	1.4
123.08083	2.4
123.11736	1.1
127.03889	4.1
129.07005	2.6
129.23062	0.8
131.04910	3.8
131.08560	10.8
133.06531	1.2
133.07561	1.7
133.10149	1.6
135.04372	0.8
135.08102	1.3
137.05956	8.9
139.11203	2.9
141.06998	2.6
145.06473	1.3
145.10042	0.9
147.04370	5.8
147.07970	1.1
147.11629	1.1
149.06007	3.2
149.09610	35.0
151.03864	1.1
151.07585	1.1
159.08084	1.6
161.05997	1.2
163.07567	3.4
163.11058	1.0
164.08345	1.2
167.07175	1.0
167.08888	1.3
167.10654	3.8
169.06477	3.6
174.55919	0.8
175.07567	0.9
175.26979	0.7
187.07552	5.4
190.07802	1.3
191.07004	1.4
205.06544	0.8
207.07986	1.2
218.07240	1.0
219.08124	1.3
227.09175	0.9
232.18118	0.9
233.09566	1.4
235.07538	1.3
236.08234	0.9
249.05382	1.0
251.10631	1.1
253.08661	0.8
257.08160	1.5
261.09000	1.6
265.08649	1.9
279.10156	1.6
281.08148	1.3
283.09668	1.4
293.10925	1.2
293.14148	6.5
296.10373	0.9
311.09125	3.6
311.12497	20.3
312.12857	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1852
Annotation	Neobritannilactone A
Peak:m/z	Relative Intensity
53.03939	1.7
55.01881	7.3
55.05257	1.0
55.05509	18.6
57.03434	2.1
57.07064	1.1
65.03916	0.9
67.05154	1.6
67.05502	30.8
69.03420	2.1
69.07079	5.6
69.52918	5.5
71.04998	2.3
71.08617	1.7
71.48380	0.9
72.08145	2.6
73.02889	0.8
79.05489	37.4
80.05823	0.9
81.03400	2.3
81.07054	58.9
82.07388	1.4
83.04974	3.1
83.08623	6.6
85.02895	5.9
85.06517	1.4
91.05476	8.9
93.07048	14.0
95.04961	5.8
95.08603	66.6
96.08903	1.2
97.06519	8.2
97.07668	1.4
97.10162	8.8
98.22543	1.6
99.04417	0.9
99.08078	3.5
101.02402	1.4
103.05469	1.7
105.07029	21.9
107.04940	1.4
107.08595	7.2
109.01058	0.8
109.06503	3.1
109.10158	6.6
111.04435	1.0
111.08070	3.5
114.10280	3.0
117.06998	1.4
119.08583	4.9
120.97348	0.8
121.06457	2.1
121.10161	2.3
123.08060	100.0
124.08388	2.8
125.09623	11.1
131.04884	1.1
131.08525	1.9
132.76886	0.8
132.88242	0.9
133.06403	1.8
133.10115	2.3
135.08072	1.8
135.11667	2.0
137.05957	3.2
137.09610	5.8
139.07529	15.2
139.11160	3.0
141.09097	40.2
142.09352	1.1
145.10068	1.8
147.11697	1.2
149.09612	1.4
151.07532	15.9
151.11186	1.8
153.09085	11.0
155.10628	1.1
157.08598	1.7
159.11661	1.3
163.11212	1.6
169.08618	2.1
171.10149	1.3
181.04958	4.2
181.75423	0.8
187.09653	3.6
189.11215	2.1
209.11722	1.5
219.07993	1.1
247.20749	1.0
275.20111	4.0
279.10147	1.3
293.21094	7.4
294.21356	1.0
311.08948	3.0
311.12509	2.0
312.15454	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2214
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
55.01880	14.3
55.05503	41.5
55.47034	7.6
57.03431	8.3
67.05505	95.0
68.02229	6.8
69.07066	30.2
70.04527	28.5
71.04990	8.8
72.08150	6.8
74.28183	7.8
75.44348	5.9
79.05498	54.9
81.07047	100.0
81.07480	8.4
83.05024	9.1
83.08620	17.4
91.05460	40.2
93.07042	73.6
95.04981	15.8
95.08604	60.9
97.06545	14.8
97.07683	8.4
97.10162	9.4
103.05483	11.0
105.07038	47.2
107.04922	12.7
107.08568	43.7
109.06502	11.5
109.10159	40.9
114.10298	9.1
117.07034	15.9
119.08563	50.2
121.06521	9.8
121.10139	25.6
123.08057	18.6
123.11690	9.2
125.09619	12.3
131.08578	21.7
133.06483	11.6
133.10167	32.8
135.11713	8.0
137.05980	28.5
137.09651	9.9
141.06966	7.3
145.10152	17.4
147.11691	18.4
149.09683	20.5
149.13301	11.5
151.11137	10.2
157.10236	8.9
159.11707	27.1
161.05975	16.5
163.11139	11.4
169.10173	8.1
173.11717	12.7
173.13187	10.6
181.04974	30.1
187.07626	9.5
219.08089	7.8
227.06691	10.2
233.05942	7.6
238.06172	9.7
251.06931	10.2
251.10782	7.9
251.14244	7.3
255.06584	14.7
257.18961	11.3
270.08859	13.4
275.20044	93.4
279.10065	28.5
280.10379	7.0
293.21149	30.3
311.09055	30.1
311.12604	40.0
311.14819	38.7
311.22195	9.0
312.15768	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	311.2215
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
50.99884	0.8
53.03947	1.5
55.01865	5.7
55.05509	36.4
57.03448	5.4
57.07065	4.8
59.05001	5.4
65.03944	3.7
67.05503	100.0
68.05843	1.8
69.03429	3.4
69.07068	25.5
69.07449	1.2
71.04987	8.6
72.65544	0.9
74.35883	0.8
76.38892	0.8
78.32166	0.8
79.05489	26.2
79.05948	1.4
79.10928	0.9
81.03389	2.5
81.07053	58.4
82.07398	1.6
83.04961	4.7
83.08619	21.2
85.02916	1.9
85.06552	3.9
91.05475	21.9
93.07041	30.0
95.04961	3.4
95.08604	32.9
96.08915	1.1
97.06529	6.6
97.10166	24.6
99.08105	1.7
101.06014	1.1
103.05482	2.4
105.03409	1.9
105.07027	6.7
107.04947	2.4
107.08591	14.5
109.06504	1.9
109.10152	68.8
110.10478	3.1
111.04443	3.2
111.08070	8.1
111.11714	1.2
114.74630	1.0
115.05447	1.0
117.07027	4.3
119.04974	1.5
119.08579	17.7
121.02880	3.3
121.06528	1.7
121.10138	15.8
123.04432	3.6
123.08104	0.9
123.11716	9.9
125.05975	1.7
125.09628	20.4
126.10003	1.1
129.07036	1.0
131.04927	1.3
131.08595	4.5
133.06476	2.7
133.10120	5.9
135.04398	3.4
135.08066	4.2
135.11693	3.6
137.05972	8.1
137.09610	17.7
137.13280	2.2
139.11168	13.0
141.07019	3.6
143.08540	2.1
143.10709	1.3
145.10135	2.8
147.04422	5.1
147.11661	4.3
149.02348	3.9
149.05949	3.2
149.09651	3.0
151.03914	1.3
151.07536	2.6
153.05412	1.2
153.09106	3.1
155.10667	17.8
157.10127	1.1
157.12231	1.6
159.08054	2.3
159.11691	4.0
161.06070	1.5
161.09657	1.4
163.07578	1.7
163.11203	1.9
163.14931	1.2
165.07027	1.1
165.12833	1.5
166.07738	1.3
169.06444	1.9
171.10201	3.6
173.05951	1.4
173.11757	21.3
173.13246	2.3
179.03377	7.2
180.09303	1.1
181.04955	1.6
181.06490	1.3
181.10144	1.4
181.12196	1.5
183.08009	1.0
187.07526	5.3
188.08218	1.1
189.09375	1.6
189.11217	17.4
190.07767	2.9
191.10754	1.5
193.04884	1.0
197.04523	1.9
200.59067	1.0
205.10085	1.9
207.08035	1.9
208.08846	1.9
209.09619	3.9
209.11760	6.1
209.15298	1.6
210.06773	2.1
211.07507	5.2
218.07263	2.6
219.07936	1.0
221.06001	3.2
222.10477	1.0
223.07533	1.6
225.09149	5.6
226.09775	2.6
227.07106	1.5
229.19536	2.4
233.09607	7.9
235.07529	3.2
236.08249	1.6
237.09082	4.8
237.10925	5.2
238.06223	2.2
239.06982	4.6
239.18027	1.8
241.12274	3.7
247.20573	3.7
249.08987	1.1
250.09773	1.3
251.07042	1.3
251.10555	5.2
253.08611	8.4
254.09335	12.5
255.09871	1.0
257.19046	3.1
261.09113	12.2
262.09698	2.5
263.07077	3.6
264.07776	1.7
265.12119	2.4
265.21585	6.6
266.05750	1.3
267.06509	1.2
268.07242	1.4
269.11707	7.7
270.08838	7.8
270.11359	1.1
275.20050	16.0
276.20383	1.3
278.09384	4.1
279.10159	12.4
280.10675	1.3
281.08066	12.4
282.08710	3.1
283.09836	0.9
283.13226	4.5
293.11755	7.2
293.20975	8.7
296.06924	1.7
296.10403	5.5
311.09128	35.0
311.12784	39.0
311.25961	2.3
312.09552	3.5
312.13156	4.6
325.66919	1.0
328.07556	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2217
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03934	3.3
55.01871	8.0
55.05266	2.5
55.05514	31.7
57.03431	3.9
57.07076	2.2
59.05000	1.6
65.03938	3.6
67.05507	58.5
69.03429	3.0
69.06713	2.4
69.07068	39.4
69.47794	8.4
70.07409	1.5
71.04989	10.5
73.06520	1.5
79.05131	1.2
79.05493	50.6
81.03420	7.8
81.07057	88.0
81.70757	1.2
82.07439	1.6
83.05000	6.3
83.08621	15.8
84.08914	1.4
85.06547	8.3
91.05482	28.6
93.07047	55.2
95.04999	7.1
95.08609	61.4
96.08978	2.2
97.06532	11.4
97.10175	15.3
99.08100	2.6
103.05485	2.4
105.04502	1.6
105.07028	19.4
107.04981	2.4
107.08601	30.2
109.06534	3.6
109.10159	31.4
111.04415	1.1
111.08088	4.9
117.07008	8.5
119.04980	1.3
119.08576	20.2
121.02889	8.9
121.06523	2.3
121.10152	34.2
122.10437	2.0
123.04461	2.6
123.08064	4.3
123.11737	9.2
125.09648	7.3
127.11261	1.4
129.07007	2.9
131.08582	17.7
133.06490	5.0
133.10126	19.6
135.04449	6.5
135.08034	6.3
135.11674	11.6
137.06001	3.7
137.09619	6.9
137.13327	1.5
139.11217	8.2
141.06989	2.6
143.08572	2.2
145.10123	11.8
147.04367	2.2
147.08014	1.9
147.11687	12.2
148.17879	1.4
149.02383	6.5
149.09631	11.7
149.13271	6.2
151.03911	1.9
151.11191	3.0
153.09111	16.2
155.08705	1.7
155.10674	2.4
157.10126	3.4
159.11732	9.9
161.09575	1.5
161.13268	4.2
163.07573	2.0
163.11201	6.6
165.01805	1.3
165.07053	1.6
165.12802	4.0
167.10670	13.9
169.10091	2.0
171.11748	4.0
173.11838	3.1
173.13274	5.6
175.09682	2.3
175.11118	1.9
175.14919	2.4
177.12788	6.0
179.03386	14.3
181.12181	1.8
183.11665	2.2
185.13246	1.8
187.13324	2.9
189.11179	3.1
190.08087	1.6
191.14391	2.8
195.13890	2.6
197.04520	3.5
203.12791	4.3
209.15506	1.6
215.17699	1.3
229.19583	5.9
233.09439	2.0
238.06180	2.7
239.17982	5.2
247.20581	7.9
251.10562	2.3
254.09265	1.4
257.19012	7.9
261.09036	1.5
265.21652	12.7
266.05856	3.3
268.07352	3.5
275.20065	65.9
276.20428	4.0
279.10226	2.5
281.08121	21.8
282.08667	2.9
293.21097	100.0
294.21487	8.9
296.06805	3.6
311.09174	77.7
311.12747	6.5
311.22110	4.2
312.09537	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	311.2214
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03936	6.8
55.01880	27.0
55.05511	79.6
55.24582	4.5
57.03425	6.5
67.05502	69.4
68.05869	4.4
69.03421	10.4
69.07054	33.0
69.73151	5.4
70.94959	6.2
71.04996	13.8
71.08620	21.6
72.08148	10.1
78.10854	5.0
79.05486	53.8
81.03406	25.2
81.07050	100.0
83.04985	26.9
83.08611	54.4
84.43889	5.0
85.02898	4.4
85.06520	10.9
91.05460	39.4
93.07034	53.4
95.04962	31.5
95.08575	43.1
97.06528	19.2
97.07632	11.2
97.10164	34.1
99.08073	26.2
105.07023	21.0
107.04941	9.7
107.08569	32.6
109.06516	57.0
109.10127	33.8
111.04443	35.1
111.08072	21.7
114.10294	13.5
117.07020	9.8
119.08574	17.1
121.06488	13.4
121.10136	21.1
123.08049	19.5
123.11670	7.6
125.05946	6.0
125.09632	30.5
127.07552	14.6
131.08566	16.7
133.10135	14.3
135.08058	8.1
135.11697	8.3
137.05956	78.4
137.09587	11.4
139.07561	9.9
139.11185	16.1
143.08542	5.1
147.11639	6.2
149.09602	12.4
149.13243	5.1
153.09058	6.8
155.07030	15.4
159.11705	8.5
163.11182	48.9
167.10669	5.5
173.08086	15.2
177.12752	10.6
181.04930	31.6
183.82411	5.6
189.11188	15.0
193.12224	12.1
195.11835	5.1
195.13835	14.3
211.13234	7.1
221.42651	5.0
223.13274	11.5
249.21977	5.9
251.10487	7.0
257.18854	6.9
273.66013	6.1
275.20111	35.1
293.21072	88.2
294.21265	5.6
311.09009	14.6
311.12677	15.9
311.17288	7.9
311.22739	5.7
312.15573	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	311.2214
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
51.02919	5.1
54.47469	5.2
55.01876	27.1
55.05510	83.1
56.53213	4.1
57.03436	8.0
57.07065	8.7
67.05502	74.3
68.21568	4.4
69.03427	8.5
69.07057	28.7
69.55481	17.0
69.55884	8.6
71.04969	8.1
71.08617	25.0
72.08150	15.2
75.45605	4.3
79.05491	47.5
81.03404	27.9
81.07049	69.4
83.04962	28.8
83.08611	56.2
90.19261	3.7
91.05474	28.9
93.07045	35.7
95.04956	47.9
95.08587	30.2
97.06517	18.7
97.07681	4.9
97.10152	45.3
98.22607	5.5
99.08094	26.3
105.07027	22.2
107.04910	8.0
107.08595	37.6
109.06533	8.2
109.10145	26.6
111.04417	13.0
111.08081	9.2
114.10285	15.5
119.08562	18.0
121.06467	4.8
121.09360	4.3
121.10121	27.2
123.08035	8.0
125.06007	5.3
125.09628	38.0
129.06998	5.4
131.08563	13.9
133.10120	12.9
135.08066	8.7
135.11696	14.1
137.05943	8.0
137.09599	10.8
139.11188	4.7
141.07011	6.4
145.10144	18.0
147.04379	10.0
147.11646	7.5
149.09610	16.1
149.13280	6.8
153.12650	5.5
157.10120	6.9
159.08138	6.0
161.13199	4.6
163.11174	57.0
165.12695	7.3
167.10603	5.4
173.13179	5.3
175.11188	6.7
181.04932	35.8
185.11559	5.8
187.07553	6.8
189.11238	19.2
193.12238	16.1
195.12003	4.5
195.13731	23.6
211.13336	10.8
223.13254	10.6
232.71724	4.5
237.11110	7.7
247.17140	4.6
247.20589	7.2
257.18793	8.4
275.19992	29.3
281.07791	6.3
286.17059	4.5
293.21115	100.0
294.21524	6.5
311.09091	10.5
311.12631	11.6
312.15619	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	311.2216
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03939	6.2
55.01877	11.7
55.05510	100.0
57.03437	27.9
57.07074	42.7
59.04984	1.7
60.04906	1.3
65.03943	5.0
65.60065	1.6
67.05501	52.3
68.94948	1.5
69.03424	2.6
69.07066	96.2
69.90963	4.6
69.91360	3.5
70.07401	1.9
70.86826	1.4
71.04999	8.2
71.08629	22.9
72.08158	1.8
79.05492	30.1
80.05829	1.4
81.03412	10.8
81.07053	51.6
82.69297	1.6
83.04982	8.5
83.08616	80.1
84.08961	2.5
85.02914	1.5
85.06551	4.4
85.10168	11.6
88.07659	1.6
91.05478	24.7
93.07046	33.4
93.07602	2.5
95.04958	13.5
95.08606	35.4
97.02856	2.3
97.06521	13.5
97.10171	53.8
97.32129	1.4
99.04431	1.5
99.08086	3.6
103.05483	2.3
105.07017	16.4
106.07354	1.7
107.04979	8.3
107.08593	25.0
108.02136	1.4
109.06509	4.8
109.10149	25.7
109.11314	1.7
111.04436	8.9
111.08076	9.4
111.11710	9.9
113.09637	3.0
117.07012	6.7
119.04947	2.5
119.08569	12.0
121.02853	10.2
121.06533	5.6
121.10136	22.3
123.04453	2.9
123.08076	5.4
123.11699	9.1
125.06026	2.5
125.09609	8.7
125.13305	3.8
129.07033	2.4
131.04941	1.9
131.08598	7.7
132.92889	1.5
133.06494	8.1
133.10121	21.0
135.04417	31.6
135.05475	2.4
135.08057	3.7
135.11670	14.3
136.04712	1.8
137.06006	3.4
137.09573	7.2
137.13245	2.2
139.11188	3.4
141.07001	1.7
145.10126	6.6
147.04410	4.7
147.11676	5.4
147.39973	1.5
149.02332	8.0
149.09633	6.5
149.13307	5.1
151.03903	3.4
151.07579	2.4
151.11121	11.3
151.62157	1.6
153.05539	3.0
153.09056	2.9
153.12767	2.6
155.08560	2.0
157.10141	2.4
159.08113	3.7
159.11659	3.5
161.09605	12.9
161.13290	2.2
163.11188	6.9
163.14862	3.2
165.06940	1.9
165.09116	2.1
165.12781	2.1
167.03271	1.8
167.10561	1.9
169.06490	2.8
169.10129	1.9
169.12302	3.2
171.11696	2.0
173.09521	1.8
173.13272	2.7
176.53036	1.4
177.12785	2.9
179.03381	22.1
181.04962	6.2
181.12222	4.4
185.13263	1.6
187.07530	5.3
191.10715	2.5
195.11742	2.8
197.04358	7.8
208.08766	1.7
209.11699	21.8
211.07478	1.8
218.07300	1.6
219.08095	1.6
219.21144	2.5
223.13274	1.8
225.09085	2.0
229.19669	2.3
233.09636	2.6
237.11201	15.4
238.06290	5.1
239.06914	2.0
239.17995	2.3
240.07924	1.9
242.85591	1.8
247.20569	4.9
251.10745	2.5
253.08578	4.5
254.09364	3.0
257.19049	4.6
261.09027	4.8
266.05740	5.1
267.06320	2.1
268.07324	3.6
269.11823	2.3
275.20038	26.7
276.20407	2.2
279.10193	5.1
281.08078	25.3
282.08475	2.9
283.13318	2.9
293.11740	2.4
293.21066	31.3
293.28482	2.4
296.06845	5.3
296.10248	2.8
311.09210	86.1
311.12756	15.1
311.16367	2.9
311.25830	89.1
311.29312	5.5
312.09665	8.5
312.12729	2.6
312.26215	7.6
312.32565	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	311.2578
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03930	1.7
53.13907	1.1
54.07323	1.0
55.01867	3.9
55.05508	28.4
56.77808	1.1
57.03429	5.1
57.07072	9.4
59.04992	1.2
60.95406	1.1
64.31029	1.0
65.03932	4.1
67.05502	70.5
69.03413	1.6
69.07066	25.4
69.36622	1.3
69.36967	7.8
71.01353	1.2
71.04989	22.5
71.08624	2.8
72.08144	2.0
79.05033	2.0
79.05487	28.2
80.05762	1.1
81.03435	1.3
81.07053	100.0
82.07372	1.7
83.04993	6.3
83.08617	16.5
85.06542	13.5
85.10150	1.4
91.05472	15.3
93.07036	28.4
95.04928	2.5
95.08601	93.1
96.08949	3.7
97.06538	9.4
97.07599	1.7
97.10157	13.4
99.08076	3.5
105.07038	11.5
107.04926	1.3
107.08586	17.2
109.06528	2.1
109.10150	38.8
110.35591	1.2
111.04431	3.5
111.08063	5.3
111.11719	2.8
114.10314	2.8
117.07016	3.6
119.08572	11.6
121.10144	19.3
123.08053	3.1
123.11710	18.6
125.05947	1.5
125.09614	4.8
127.07555	1.4
131.08556	8.8
133.10118	9.5
135.08073	2.9
135.11700	15.5
137.09584	3.0
137.13261	6.1
139.11191	4.5
141.09091	1.5
143.08537	1.7
145.10123	5.0
147.11674	10.1
149.09596	3.6
149.13283	5.7
151.11169	3.9
151.14838	2.4
153.05457	3.8
153.09044	2.2
153.12637	2.6
157.10074	1.7
159.11696	5.1
161.13268	8.1
163.11166	2.3
163.14806	3.2
165.12726	3.9
173.13234	4.2
175.14828	3.0
177.12694	1.3
177.16415	2.3
179.14276	5.5
181.04951	8.0
181.12192	3.3
187.13315	1.4
187.14833	4.5
191.10660	1.7
191.14183	1.4
193.15834	1.2
194.10619	1.3
201.16373	2.3
209.11742	18.4
209.15254	2.0
210.12202	1.4
217.55826	1.2
237.11198	12.1
237.18388	1.7
242.97978	1.1
243.20972	7.5
255.12239	3.0
261.22134	16.2
262.22574	1.5
275.20068	3.9
279.23209	23.2
280.23325	1.3
293.21085	3.0
293.24664	1.9
311.12579	2.2
311.20218	1.4
311.25980	14.0
312.15436	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	311.2579
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03939	4.3
55.01868	4.5
55.05508	58.3
56.67108	0.9
57.03434	28.7
57.07071	27.7
57.07359	1.2
59.04995	1.0
59.43929	1.0
65.03932	1.5
67.05500	40.3
67.05860	2.0
68.05804	1.0
69.03420	2.2
69.07065	72.2
69.11372	9.4
71.04980	2.7
71.08624	10.7
72.08150	3.6
73.06573	1.4
75.03506	1.0
79.05487	23.8
81.03394	1.6
81.07050	53.1
83.04987	6.1
83.08615	49.7
85.06537	3.5
85.10162	2.6
91.04906	1.4
91.05470	9.6
93.07037	29.2
95.04969	3.9
95.08596	42.7
97.06528	9.4
97.07616	1.4
97.10159	28.0
98.49145	0.9
99.08113	2.0
103.84653	0.9
105.04557	1.0
105.07034	4.5
107.04952	2.0
107.08581	18.3
109.02855	1.1
109.10149	18.6
111.04437	5.1
111.08076	9.2
111.11715	4.9
113.09637	1.2
114.10296	3.1
119.08591	3.0
121.06500	1.3
121.10139	25.3
123.08076	1.8
123.11695	9.6
125.05993	4.0
125.09637	5.7
125.13258	1.1
127.11147	1.4
129.05429	1.2
131.08531	1.3
133.10136	3.3
135.04399	53.7
135.08080	1.1
135.11682	20.1
136.04750	1.4
137.09560	1.3
137.13213	4.8
139.11185	3.1
145.10106	2.4
147.11694	1.3
149.13287	7.5
153.05475	3.0
153.12714	1.2
159.11690	1.5
161.09610	27.3
161.13301	1.5
162.09975	1.4
163.11113	1.2
163.14828	4.2
165.12805	1.0
167.10696	1.1
171.11539	1.0
173.13254	1.2
177.16418	2.3
181.05009	9.0
181.12238	2.2
181.15875	1.0
191.10672	3.0
195.11711	1.1
209.11702	24.7
210.11977	1.3
219.21092	9.4
237.11203	16.9
237.22151	8.0
238.11775	1.3
255.12212	2.1
275.20096	2.8
293.18082	1.9
293.20871	5.8
311.09125	2.8
311.12686	2.1
311.16315	3.1
311.25833	100.0
312.15594	6.5
312.26447	5.9
312.32501	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	311.2939
Annotation	ent-8alpha,15-Labdanediol
Peak:m/z	Relative Intensity
53.03945	1.8
55.05509	61.8
57.06804	2.9
57.07072	42.8
62.76361	1.9
67.05503	9.8
69.04950	11.7
69.05369	5.7
69.07066	100.0
71.08628	17.7
72.08164	9.0
79.05495	5.3
81.07050	16.9
83.04990	3.4
83.08614	66.8
85.10172	11.2
87.67876	1.6
93.07058	11.4
95.08594	19.2
97.06516	2.5
97.07623	4.8
97.10162	55.9
103.40252	1.9
105.06991	2.2
107.08581	8.9
109.10151	9.4
111.04463	2.2
111.11716	24.3
113.09624	2.0
114.10283	5.6
119.62944	1.8
121.10170	10.0
122.10535	1.5
123.11698	4.0
125.05999	1.8
125.13266	6.8
135.04398	4.0
135.11658	7.4
135.16585	1.9
137.13225	2.1
139.14830	4.5
149.13287	3.5
153.05487	4.7
163.14763	6.2
177.16338	2.8
181.04930	19.1
191.10594	3.5
191.17923	3.5
195.17369	2.9
199.71074	2.3
205.19475	2.2
209.11679	14.3
209.19002	3.9
219.21065	1.8
223.20668	3.7
237.11139	11.5
237.22122	1.9
255.12299	1.9
275.27319	17.6
293.28345	21.0
294.28763	2.2
311.09125	2.9
311.29584	2.7
312.15472	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	312.1551
Annotation	Leonurine
Peak:m/z	Relative Intensity
53.03919	1.1
55.01857	1.0
55.02994	4.5
55.05515	3.4
57.03429	0.6
60.05627	1.0
65.03939	4.7
67.05500	2.0
69.03437	3.1
69.07065	0.7
70.06565	0.7
71.04977	0.5
71.33900	0.7
72.05608	1.9
72.08151	39.6
73.06522	1.6
73.08453	0.7
79.05466	1.2
81.03407	4.6
81.07037	0.7
82.04171	0.9
82.07547	0.4
83.04955	0.5
83.08613	0.7
85.02908	3.3
90.09164	0.8
91.04930	0.6
91.05475	10.7
93.03388	1.6
94.04150	0.6
95.04962	2.5
97.02854	1.5
97.06522	1.1
97.07650	23.4
98.06030	0.5
99.04420	0.6
100.11248	3.2
101.02397	0.4
103.05450	0.9
105.07024	0.7
107.04932	1.6
108.02078	0.8
109.02854	1.8
109.06497	0.8
110.03635	1.5
111.04459	2.1
113.20502	0.4
114.10287	36.6
115.05478	0.8
115.08665	1.2
115.10699	0.5
116.11975	0.4
117.07000	0.5
119.04143	0.6
119.04934	5.9
121.06442	0.6
122.03625	1.6
123.04412	1.2
123.08039	0.8
125.05943	2.4
126.09171	0.4
128.06226	2.1
129.06993	5.4
131.04884	1.1
132.11325	9.2
136.05182	1.3
137.05969	18.4
138.03046	0.7
138.06281	0.8
140.04652	1.7
141.05409	0.7
142.02599	2.2
145.06401	0.6
147.04396	0.8
151.03903	23.8
151.04993	1.7
151.07533	23.3
153.01799	0.6
153.05453	1.0
157.06509	3.9
161.05968	1.0
163.07532	1.5
165.06961	1.0
168.13831	1.8
169.04973	1.0
171.06512	3.1
174.06783	3.0
175.07526	1.2
178.07758	0.8
181.04944	100.0
182.05278	3.5
189.05530	0.6
189.09088	14.8
192.09007	0.5
193.06548	0.8
193.08551	0.5
193.10133	1.8
196.13483	0.5
203.08575	0.7
206.07130	0.5
210.15036	0.5
221.06018	0.8
221.09605	2.7
223.07376	0.5
224.08179	0.7
225.09082	0.5
235.07553	0.5
239.07138	0.7
248.08153	0.6
249.09134	2.0
252.07681	0.8
252.10808	0.4
253.08565	0.5
253.12366	2.8
265.08447	0.6
267.03253	0.8
267.10040	0.6
269.07919	1.0
271.09641	0.7
280.10477	0.7
281.11725	1.6
285.11353	0.4
286.08420	0.5
295.08005	3.0
295.12927	1.8
312.15555	71.0
312.26202	3.0
313.10632	1.9
313.14651	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	312.165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.7
55.01871	4.7
57.03431	4.5
61.02919	9.5
62.07001	2.3
65.29819	1.8
69.03425	17.8
69.07063	10.1
69.30261	9.8
69.30682	6.3
71.04970	2.3
72.08146	4.5
73.02905	5.2
78.67664	2.2
80.06315	2.4
80.79494	2.2
81.03403	8.6
84.39392	2.0
85.02901	100.0
87.04484	5.0
87.08103	17.4
91.03963	6.3
97.02880	21.7
98.23359	4.4
99.04447	6.3
106.60564	2.2
109.02875	7.8
111.04433	2.7
114.10261	4.1
127.03894	26.2
133.08562	2.2
135.08928	1.9
145.04964	43.0
151.03911	15.1
163.06032	13.4
181.04941	12.8
193.04837	2.1
312.15482	6.3
314.37915	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0322
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	17.5
69.03436	11.4
70.91879	11.1
81.03404	6.3
84.08138	9.4
85.02922	28.8
93.99915	4.8
97.02917	15.7
98.97582	54.5
101.00872	8.6
108.08118	49.1
116.98631	20.3
119.01991	9.2
123.06791	7.3
127.03924	5.5
133.04987	12.2
134.01378	5.6
136.07603	14.5
143.01961	6.8
152.07069	22.9
154.93190	7.1
156.96602	14.6
158.99867	5.7
174.97647	75.0
177.01009	37.8
182.06889	5.3
186.99110	8.2
191.02492	12.7
192.98671	29.5
200.99286	8.1
201.00894	11.3
203.02484	16.5
208.62158	7.3
214.95250	5.3
215.02599	8.5
216.98730	26.4
217.04099	43.9
217.98782	12.5
219.00298	6.0
219.02046	55.4
220.02208	12.8
221.01942	9.7
226.98975	7.1
229.00220	7.3
231.00244	7.1
232.05984	7.3
233.01675	10.2
233.03719	9.7
234.99733	32.4
236.00014	9.6
236.99524	8.7
243.00233	17.4
244.98254	19.0
249.01321	6.6
258.99710	30.9
260.40781	5.3
261.00998	11.9
261.03217	18.3
262.99304	19.5
271.93753	5.7
277.00851	17.0
286.99191	20.1
289.02557	17.3
301.08093	6.3
305.00250	7.7
306.97519	5.6
307.03802	9.2
313.03241	100.0
313.07562	10.5
314.12357	33.9
330.98279	17.2
331.03613	16.7
331.07095	9.9
332.10498	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	313.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	0.3
51.09406	0.2
52.03151	0.3
53.03951	1.3
53.17108	0.2
55.01877	1.2
57.03439	1.1
65.03936	4.9
66.45517	0.2
67.05503	2.5
69.03426	5.0
69.07075	0.4
69.14177	0.8
69.14597	1.2
71.01364	0.4
71.04980	0.6
73.02895	0.2
77.03938	0.4
79.05484	0.6
81.03412	10.0
81.03892	0.5
81.07057	0.8
85.02904	5.7
91.05475	0.9
93.03397	4.0
93.03934	0.4
93.07023	0.5
95.04944	1.4
95.08620	0.4
97.02886	1.6
98.23463	0.4
99.04453	1.2
105.04517	0.4
105.07034	0.4
107.04956	0.2
108.02097	2.6
109.02877	5.1
109.10146	0.3
110.03660	0.7
111.04440	5.6
119.04945	0.5
119.08528	0.3
121.06541	0.3
123.04405	0.4
125.05980	3.4
127.03937	1.1
129.07028	0.4
131.08513	0.3
136.01569	0.7
137.05956	1.1
137.09660	0.2
141.05463	2.6
151.03902	100.0
151.05000	9.4
152.04230	3.2
158.65833	0.2
163.07579	0.3
169.04961	5.3
169.06403	0.3
175.07501	0.3
180.97917	0.2
189.09087	0.6
214.69769	0.2
267.10059	0.2
277.21567	0.4
277.87744	0.2
295.08112	6.6
296.08688	0.3
299.81113	0.2
313.10254	1.1
313.14285	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.3
52.52348	0.2
53.03946	2.0
55.01878	1.4
55.05515	0.3
57.03444	1.6
58.07428	0.2
61.02904	0.3
65.03942	4.3
65.65854	0.2
67.05498	2.4
69.03432	7.8
71.01337	0.5
71.04988	1.2
73.02911	0.7
77.03938	0.2
77.62969	0.2
79.05481	0.5
81.03419	18.2
81.07051	0.9
82.03732	0.3
83.01363	0.3
85.02908	6.0
90.12698	0.2
91.05485	2.8
93.03410	4.5
93.07045	0.7
94.04195	0.3
95.04969	1.4
95.08601	1.0
97.02887	2.2
98.23363	0.5
99.04455	2.1
103.05464	0.6
105.04521	0.2
105.07019	0.5
107.04969	0.6
107.08598	0.4
108.02090	1.9
109.02888	8.1
109.06523	0.5
109.10196	0.4
110.03687	0.6
111.04445	3.8
111.08113	0.3
112.01578	0.3
119.04932	1.8
121.03976	0.3
121.10084	0.4
122.03677	0.5
123.04421	0.9
123.08064	0.4
123.11742	0.7
125.06000	3.7
127.03899	2.4
128.06235	0.8
129.07016	1.7
131.04913	0.7
131.08502	0.3
133.06424	0.3
133.10168	0.2
136.01524	0.5
136.05251	0.3
137.05977	6.5
141.05463	2.1
143.08571	0.3
147.08147	0.3
149.05978	0.4
149.09599	0.4
151.03914	100.0
151.05003	8.7
151.07475	6.2
152.04257	3.1
157.06488	1.2
161.05957	0.4
163.07610	0.5
168.04236	0.2
169.04970	5.1
170.05382	0.4
174.06755	1.0
175.07613	0.5
177.05476	0.5
178.07796	0.4
187.23192	0.2
189.09120	3.9
191.07004	0.6
192.07845	0.4
193.10153	0.6
195.81808	0.2
200.80328	0.3
221.09645	0.8
223.04326	0.2
227.06853	0.3
229.45885	0.3
242.23993	0.2
249.09174	0.7
253.12277	0.8
269.08194	0.3
270.08835	0.3
281.08286	0.3
281.11734	0.6
295.08105	12.0
296.08514	0.7
313.10632	1.2
313.14359	3.1
313.17175	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.3
53.03951	0.9
53.22644	0.2
55.01866	0.9
55.05511	0.9
57.03435	0.7
60.47396	0.2
61.02933	0.2
64.15374	0.2
65.03941	2.4
67.05163	0.3
67.05503	3.5
69.03416	1.2
69.07063	0.8
70.42322	0.5
70.70685	0.2
71.01359	0.3
71.04998	0.6
73.02918	0.3
77.03905	0.3
79.05497	1.3
81.03423	2.3
81.07054	1.8
83.04981	0.3
83.08655	0.3
85.02908	1.1
85.06525	0.3
91.05484	2.5
93.03410	1.6
93.07042	1.3
95.01357	0.3
95.04948	1.5
95.08588	1.5
97.02905	0.7
97.06541	0.3
97.10168	0.3
99.04459	0.9
103.05470	3.2
103.77116	0.2
105.04542	0.3
105.07008	1.0
107.04955	0.5
107.08563	1.1
108.02091	2.2
109.02875	0.8
109.06573	0.3
109.10169	0.8
110.03686	0.3
111.04451	2.0
112.01586	0.5
115.05412	0.3
117.07021	0.4
119.04942	1.2
119.08617	0.3
121.03984	0.3
121.06538	0.4
121.10157	1.2
122.03642	0.6
123.04399	0.9
125.05985	1.2
125.09621	0.2
127.03914	0.6
128.06226	0.9
129.06993	0.8
131.04929	1.8
131.08571	0.5
133.06493	0.5
133.10107	0.3
135.08089	0.3
135.11713	0.6
136.01566	0.6
136.05136	0.3
137.05971	5.0
141.05458	2.0
143.08549	0.7
145.10117	0.3
147.04404	0.2
147.08084	0.3
147.11705	0.3
148.05266	0.3
149.05954	1.1
149.09697	0.2
149.13153	0.2
151.03909	100.0
151.04982	7.7
151.07437	3.5
152.04242	3.1
152.05356	0.3
157.06509	0.5
161.05969	0.8
161.09634	0.3
163.07510	0.9
164.08321	0.5
165.07036	0.3
165.09116	0.4
169.04932	1.2
171.08054	0.6
173.13245	0.3
174.06778	0.6
175.07565	0.7
178.07724	0.3
178.09854	0.2
181.06512	0.2
181.12268	0.2
189.09091	3.6
193.10170	0.4
194.23393	0.2
210.06772	0.2
211.07732	0.2
221.09659	0.2
227.06880	0.3
237.05453	0.2
249.08980	0.3
252.07938	0.3
253.06956	0.3
253.12314	0.4
255.45064	0.2
259.20480	0.4
263.10730	0.2
265.08563	0.2
267.10190	0.2
269.08020	0.2
277.21606	0.9
281.11841	0.3
283.09467	0.2
285.11212	0.2
290.49329	0.2
295.08105	1.0
295.13190	0.3
298.08447	0.2
313.10510	2.4
313.14355	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	313.1066
Annotation	BIOCHANIN A, DIMETHYL ETHER
Peak:m/z	Relative Intensity
55.05497	0.3
57.07043	0.3
58.44006	0.2
67.05502	0.9
69.07036	0.7
69.10543	1.6
79.05486	0.8
81.07032	0.7
83.08603	0.3
85.06514	0.2
91.05476	0.4
93.07030	0.4
95.08575	0.7
97.06499	0.3
105.06998	0.4
107.08554	0.5
109.10130	0.5
111.08045	0.4
111.75993	0.2
119.08501	0.3
121.10114	0.3
124.21530	0.2
125.05953	0.5
133.06483	1.7
133.10040	0.2
135.04372	0.3
135.11644	0.3
143.08522	0.2
163.07504	0.2
165.06920	0.2
173.13246	0.2
179.03407	0.2
181.04935	4.3
201.05212	0.2
227.06992	0.2
228.08183	0.2
242.09315	0.2
269.08008	0.3
270.08838	38.5
271.09164	1.9
297.86990	0.2
298.08328	14.9
299.08664	0.9
311.09070	0.6
313.10663	100.0
314.11014	6.6
314.14612	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1068
Annotation	BIOCHANIN A, DIMETHYL ETHER
Peak:m/z	Relative Intensity
50.38041	0.2
57.28256	0.2
69.52707	1.4
96.20016	0.3
119.04897	0.3
120.05696	0.5
121.02869	2.7
124.05172	1.2
136.19543	0.3
139.03821	0.3
152.04666	1.9
163.03947	0.3
165.01849	0.3
167.03400	3.6
177.05539	0.4
179.03366	1.6
180.04153	1.4
181.04909	0.3
190.49509	0.2
225.09045	1.1
227.07100	0.6
252.07765	0.3
255.06470	1.4
269.08105	2.5
270.08826	4.8
270.11496	0.4
280.07220	0.3
281.08109	1.5
283.06058	2.4
297.07568	21.2
298.08337	43.9
299.08655	2.1
313.10684	100.0
314.11023	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	313.1067
Annotation	BIOCHANIN A, DIMETHYL ETHER
Peak:m/z	Relative Intensity
50.00441	0.1
55.61323	0.1
66.04659	0.1
68.99792	0.2
69.62453	0.4
77.60752	0.1
81.03426	0.2
82.04160	0.1
87.82238	0.1
93.03324	0.1
108.05708	0.2
110.03633	0.3
121.02831	0.1
125.02348	0.3
132.05708	0.6
133.05688	0.1
133.06494	1.1
134.07253	0.2
135.04407	1.2
138.03120	0.8
149.02150	0.1
153.01819	1.1
159.04405	0.2
161.05966	0.2
163.03867	0.1
165.01834	0.8
166.02617	1.0
177.05504	0.2
179.03377	0.1
181.04959	1.8
181.06577	0.1
183.02870	0.2
184.03625	0.3
185.05881	0.1
186.95999	0.1
188.21063	0.1
199.07405	0.1
205.37730	0.1
211.07494	0.1
216.07837	0.1
225.09088	0.1
227.07036	1.5
228.07439	0.1
237.05511	0.1
239.07033	0.1
241.08458	0.5
242.09282	0.3
243.06538	0.8
253.08594	0.2
254.05692	0.1
255.06535	2.3
256.07251	0.1
265.05078	0.1
267.06552	0.2
269.08060	1.9
270.08847	28.3
271.09186	1.5
280.07327	0.2
281.08099	0.6
282.08652	0.1
283.05872	0.4
297.04117	0.2
297.07565	9.3
298.08337	25.2
299.08710	1.1
311.09171	0.6
313.10672	100.0
314.11026	3.8
314.27905	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	313.107
Annotation	RETUSIN DIMETHYL ETHER
Peak:m/z	Relative Intensity
53.03937	0.3
55.01865	0.3
55.05500	0.6
57.03434	0.2
57.07044	0.3
57.44562	0.1
65.03943	0.2
67.05505	0.8
69.03411	0.4
69.07074	0.8
71.04990	0.3
71.26762	0.1
77.34243	0.1
79.05495	0.9
81.03416	0.8
81.07056	1.5
83.01333	0.5
83.04987	0.3
83.08618	0.4
85.02891	0.3
85.06529	0.2
91.05483	1.8
93.03387	0.2
93.07021	0.8
95.04956	0.5
95.08627	1.0
97.06529	0.5
97.10162	0.4
98.23369	0.3
103.05471	1.6
105.07059	0.7
107.04960	0.4
107.08598	0.6
108.05703	0.3
109.02899	0.2
109.06507	0.5
109.10156	0.6
111.04454	0.3
111.08073	0.2
115.05461	0.4
117.07036	0.3
118.04127	0.2
119.04916	0.7
119.08555	0.4
121.02882	0.2
121.06490	0.5
121.10145	0.5
122.03636	0.4
123.04443	1.5
123.08075	0.3
123.11690	0.6
125.02325	0.3
125.05982	0.3
125.09667	0.3
127.03909	0.2
128.06221	0.8
129.06998	0.4
131.04935	0.8
131.08566	0.2
132.05699	0.4
133.06493	1.6
133.10127	0.3
134.07289	1.1
135.04395	1.9
135.08086	0.2
135.11685	0.4
137.05980	5.1
138.03127	1.4
138.06276	0.2
139.07513	0.2
139.11208	0.2
143.08566	1.0
145.06502	0.3
145.10133	0.2
147.04402	0.3
147.05498	0.1
147.08037	0.3
148.05171	0.3
149.05972	0.7
151.03902	1.0
151.07535	2.2
153.01852	1.6
153.05493	0.2
153.06972	0.3
157.06520	0.2
157.10170	0.2
159.04427	0.3
159.08090	0.2
159.11758	0.3
161.06001	1.0
161.09637	0.2
163.03857	0.3
163.07515	0.7
164.08293	0.2
165.01855	0.5
165.07037	0.5
165.09096	0.2
166.02599	0.6
167.08533	0.1
171.02884	0.2
171.08000	0.7
173.05963	0.2
174.06808	0.7
175.07515	0.2
177.05440	0.3
181.01323	0.4
181.04968	1.5
181.06473	0.4
182.07245	0.4
183.08049	0.3
184.03654	0.4
187.07419	0.2
189.05505	0.3
189.09105	2.0
195.08009	0.2
196.08768	0.4
197.09755	0.2
199.02434	0.3
199.07590	0.3
201.05394	0.4
203.10732	0.3
209.05975	0.4
210.06786	0.4
211.07492	0.8
214.06146	0.2
214.59686	0.1
216.07733	0.1
221.05943	0.2
223.07811	0.2
224.08340	0.4
225.09116	1.4
227.07021	2.0
237.05464	0.5
238.06238	0.2
239.06955	0.5
241.08595	1.2
242.05873	0.2
242.09355	0.7
243.06535	0.4
252.07820	0.6
253.08577	0.7
253.12170	0.2
254.05824	0.2
254.09473	0.2
254.63026	0.2
255.06480	2.3
256.07156	0.3
257.08170	0.6
265.04968	0.3
267.93921	0.2
269.08078	5.4
270.08856	19.9
271.09213	1.4
277.21667	0.3
280.07257	0.2
281.08090	0.8
283.06091	0.5
284.10431	0.2
285.07614	0.9
285.11154	0.4
297.02362	0.2
297.07578	7.7
298.08340	37.0
299.08685	2.2
312.06067	0.4
313.10675	100.0
314.07813	0.2
314.11029	6.5
314.14200	0.3
330.07321	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1067
Annotation	Cabreuvin
Peak:m/z	Relative Intensity
53.03941	1.6
54.11059	0.4
55.01867	2.3
55.05509	0.9
65.03940	0.7
66.49206	0.3
67.05500	2.7
69.03415	1.3
69.07053	2.1
71.04974	0.6
71.32781	0.4
71.33156	0.4
73.06536	0.4
79.05493	4.9
81.03429	2.3
81.07052	4.4
83.04959	0.9
83.08597	0.7
85.02896	0.6
91.05466	4.6
92.02620	1.5
93.03388	0.6
93.07033	2.1
94.04154	0.7
95.04961	2.3
95.08599	2.5
97.06526	0.6
97.10151	0.7
103.05467	13.3
104.06331	0.6
105.04544	0.4
105.07034	4.4
106.04150	0.4
107.04944	3.8
107.08578	1.5
109.02892	0.7
109.06488	0.6
109.10146	1.1
111.04395	0.9
111.08086	0.8
115.05437	1.0
117.06997	0.8
118.04179	2.6
119.04970	1.8
119.08580	1.0
121.02887	0.7
121.06476	2.9
121.10143	1.3
122.03664	1.5
123.04431	3.8
123.08066	0.6
123.11705	1.4
123.93955	0.4
125.05994	0.6
125.09634	0.4
127.03878	0.6
127.07552	0.5
128.06206	1.7
129.06978	0.9
131.04921	6.4
131.08563	0.5
133.06488	8.1
133.10121	0.6
135.04405	4.9
135.08020	1.4
135.11664	0.8
137.05966	15.8
141.06958	0.6
143.08517	2.1
145.06490	0.4
145.10107	0.4
146.03600	2.3
146.07327	0.4
147.04411	1.8
147.08092	0.5
147.11736	0.5
148.05197	2.2
149.02333	0.4
149.05966	9.5
151.03923	4.2
151.05028	0.7
151.07524	4.0
151.11197	0.6
152.04282	0.4
152.06157	1.1
153.01822	1.1
153.06984	2.7
154.07759	1.5
155.08519	0.5
157.06487	0.7
159.11671	0.7
160.05202	0.8
161.04698	0.7
161.05974	9.8
163.03908	7.6
163.07529	4.5
164.04283	0.5
164.08318	13.4
165.05453	1.1
165.06964	8.4
165.09021	1.1
166.07747	1.1
167.04915	0.9
167.08549	1.4
169.06442	0.6
169.10164	0.5
171.02893	0.8
171.08047	3.0
173.05899	0.4
174.06743	0.6
175.03905	1.2
175.07520	6.9
177.05421	0.9
178.07759	1.0
179.03549	0.5
179.07031	3.8
179.08549	1.3
180.07802	0.7
181.06454	6.0
181.12428	0.4
182.07259	9.6
183.07939	1.6
184.05122	0.9
185.05966	0.4
185.13220	0.4
188.08267	0.6
189.05431	10.4
189.09090	6.3
189.10635	0.3
192.05594	0.5
193.06406	2.9
194.07072	0.8
195.04445	0.6
195.08075	1.6
196.05078	0.4
196.08821	0.7
197.06042	0.7
197.09641	1.3
199.07544	5.5
200.07840	0.4
203.10687	1.0
207.08018	1.2
209.06004	2.6
210.06731	12.6
211.07468	3.9
212.04683	0.9
212.08113	0.5
213.05536	0.5
213.09102	0.8
214.09828	0.6
217.52660	0.4
220.05060	0.6
221.05971	6.0
222.06509	0.5
223.03821	0.5
223.07553	1.1
224.08344	1.4
225.09077	11.9
226.06271	0.6
226.09612	1.3
227.07019	10.5
229.08501	0.6
235.07536	1.1
237.05466	2.2
238.06227	2.7
239.06972	2.3
240.07480	0.6
241.08580	1.7
242.09343	3.2
249.05452	0.9
251.03374	0.7
251.06984	0.9
252.07780	1.0
253.08566	9.0
254.09210	1.4
255.06496	6.8
255.10315	0.4
265.04974	0.9
266.05853	0.8
267.10098	0.7
269.08102	1.3
270.08844	6.2
271.09506	1.0
272.10376	0.8
281.08145	1.8
281.11050	0.5
284.10303	0.5
285.07513	1.6
285.10867	0.9
295.09497	1.1
295.12933	0.5
297.07651	0.5
298.08267	2.2
302.07883	1.2
313.07367	3.9
313.10669	100.0
313.14047	5.2
314.07715	0.6
314.11032	6.2
331.11673	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1069
Annotation	22395-24-0
Peak:m/z	Relative Intensity
52.83215	0.2
53.03942	0.7
55.01872	1.4
55.05505	0.8
57.03430	0.4
59.84442	0.2
60.96524	0.2
63.02362	0.3
65.03934	0.5
65.52711	0.3
67.05497	1.1
68.99794	0.3
69.03422	0.6
69.07065	1.1
70.58495	0.6
70.58833	0.3
71.04984	0.5
79.05489	2.7
80.32822	0.3
81.03426	1.3
81.07056	2.3
83.04984	0.4
83.08634	0.6
85.02898	0.6
85.06550	0.4
90.04666	0.3
90.37678	0.3
91.05484	4.7
92.02614	0.3
93.03403	1.1
93.07068	1.7
95.04984	1.5
95.08594	1.3
97.02882	0.3
97.10173	0.3
103.05467	9.9
104.06293	0.4
105.04558	0.4
105.07027	3.6
107.04960	1.9
107.08571	0.8
109.02878	0.5
109.06528	0.4
109.10149	0.6
111.04429	0.3
115.05455	0.9
117.06997	0.7
118.04147	0.8
119.04947	2.8
119.08583	0.5
121.06495	3.0
121.10143	0.8
122.03668	1.2
123.04421	2.8
123.08080	0.4
123.11703	1.0
128.06229	1.9
129.07016	0.7
131.04941	5.0
131.08626	0.5
132.05708	1.0
133.06494	5.1
133.10089	0.4
134.07248	0.7
135.04405	2.8
135.08061	1.3
135.11734	0.4
136.05151	0.3
137.05977	12.0
138.03154	0.8
143.08548	2.1
145.06494	0.8
146.03622	0.5
147.04393	2.2
147.08061	0.9
148.05185	2.2
149.02338	1.8
149.05983	11.0
150.06342	0.4
151.03925	3.4
151.07553	4.9
152.06056	0.3
153.01834	1.1
153.06972	1.2
154.07796	0.5
155.08591	0.4
157.06514	0.3
159.04462	0.5
159.07976	0.3
159.11687	0.3
161.05974	4.8
161.09666	0.3
163.03944	2.1
163.07532	4.5
164.08339	11.6
165.05472	3.2
165.06993	2.7
165.09094	1.0
167.08598	0.6
171.02896	0.7
171.08058	2.4
174.06766	0.9
175.03905	5.2
175.07536	5.5
176.07973	0.4
177.05452	0.5
177.09105	0.4
178.07819	0.4
179.07040	1.8
179.08604	0.8
180.07718	0.8
181.04926	1.4
181.06502	2.1
182.07277	3.2
183.08058	1.3
189.05476	3.3
189.09106	7.3
192.05670	0.4
193.06487	1.3
194.07248	0.5
195.08054	0.9
196.08844	0.5
197.06015	0.4
197.09673	0.8
199.02335	0.4
199.07550	1.9
201.05400	0.4
203.10683	0.7
207.08002	0.4
209.05956	1.2
210.06747	3.5
211.07532	2.5
212.04826	0.3
212.08179	0.3
213.05647	0.3
214.09801	0.5
221.06018	1.7
222.46350	0.2
223.03978	0.3
223.07623	0.4
224.08313	0.8
225.09100	4.7
226.06175	0.4
226.09575	0.5
227.07031	4.7
228.07625	0.6
229.08577	0.3
235.07640	0.4
237.05473	0.6
238.06177	1.1
239.07004	1.5
239.10654	0.7
241.08568	1.1
242.09341	1.6
243.10150	0.7
251.03444	0.3
251.06947	0.3
252.07808	1.1
253.08694	3.1
253.11517	0.3
253.12155	0.3
254.09378	1.1
255.06522	3.0
256.07220	0.5
259.16959	0.3
265.04910	0.5
267.06491	0.3
267.10162	0.7
269.08093	4.1
270.08859	17.2
271.09290	0.8
272.10263	1.4
277.21631	0.6
281.08148	0.4
283.05765	0.3
284.10419	0.4
285.07449	1.2
285.10825	0.5
295.09805	0.6
297.07568	2.5
298.08340	16.4
299.08780	1.0
302.07797	0.4
313.07288	5.3
313.10687	100.0
313.14056	4.6
314.07590	0.4
314.10995	6.8
314.14624	0.6
330.07306	0.3
331.11783	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00312	0.3
53.03951	0.5
55.01867	0.8
55.05509	0.5
65.03941	2.2
67.05506	0.6
69.03432	0.8
71.05011	0.3
71.17876	0.7
75.31190	0.3
77.03918	0.4
79.05489	1.8
81.03411	1.4
81.07050	1.1
82.75499	0.3
85.02910	0.7
91.05477	40.3
92.05827	1.1
93.03397	0.5
94.04179	2.2
95.04967	7.7
95.08606	0.4
103.05462	2.3
105.07032	1.4
107.04921	2.6
108.02102	0.4
108.05761	0.6
109.02876	1.0
109.06516	2.1
109.96145	0.3
111.04443	0.5
115.05430	2.2
117.07021	1.4
119.04940	26.1
120.05289	0.7
121.06508	0.5
122.03646	6.1
123.08051	0.9
125.05983	0.7
128.06218	9.1
129.07005	21.5
130.07387	0.8
131.04935	1.9
131.08571	1.2
132.05663	0.5
133.06535	1.7
133.07436	0.3
135.08052	0.7
136.05194	5.8
137.05972	66.3
138.06305	2.0
141.06979	0.3
143.04916	0.8
145.06468	2.8
146.07240	1.3
147.04369	0.4
147.08063	0.6
149.05966	1.2
151.03941	10.7
151.07536	100.0
152.04214	0.5
152.07874	3.7
153.07050	0.5
155.06026	1.3
156.05731	2.1
157.06479	12.5
158.07214	0.8
159.04431	0.3
160.05260	1.0
161.05994	1.9
161.09561	1.9
163.07555	1.9
165.06935	2.4
167.07001	0.4
167.08441	0.4
168.87285	0.4
169.04942	0.4
174.06750	12.4
175.07538	6.5
176.08267	1.0
177.09090	0.9
178.07759	4.1
178.09323	0.4
179.08459	0.7
181.06464	0.9
182.07129	0.5
189.09097	54.5
190.09450	2.6
191.08687	0.8
191.10616	0.5
192.09340	0.9
193.06512	0.8
193.10109	5.9
197.05943	0.4
202.07799	0.7
203.08546	2.7
204.09119	0.3
205.06511	0.6
206.07286	1.8
207.08020	0.9
209.06004	0.8
210.06761	1.2
210.10550	0.4
211.07617	0.6
219.08070	1.1
220.08780	1.3
221.06244	0.4
221.09592	9.3
222.10178	0.4
223.07515	0.9
224.08337	0.4
225.09052	1.8
231.08023	1.1
234.06720	0.9
235.07365	0.8
237.09065	0.6
238.09871	1.3
239.07086	0.7
239.10526	0.5
241.08441	0.8
248.08426	0.5
249.09103	7.9
250.09691	1.1
252.07895	0.6
253.08676	0.9
253.12216	10.5
254.12561	0.8
255.06462	0.4
263.10632	0.6
266.09372	0.9
267.10098	0.7
269.08176	2.5
270.08743	0.4
272.10358	1.0
281.11691	5.6
282.12311	1.0
284.10526	1.0
285.11301	1.1
295.08188	1.0
295.13174	0.4
298.11823	0.8
313.10864	1.6
313.14291	23.7
314.11301	0.4
314.14502	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
55.01870	1.0
56.29914	0.3
64.68512	0.3
65.03933	1.5
65.18432	0.4
67.05502	0.4
67.32672	0.3
69.03422	0.7
71.32449	0.5
79.05492	2.0
81.03419	1.2
81.07056	1.9
84.38574	0.3
91.05478	47.7
92.05791	1.5
93.07050	0.6
94.04185	3.0
95.04963	7.8
95.08626	0.3
97.02875	0.5
103.05456	2.9
105.04528	0.5
105.07024	1.5
107.04951	4.1
109.06514	2.3
111.04428	0.3
115.05466	1.9
116.06208	0.4
117.07036	1.5
119.04940	30.3
120.05245	0.6
121.06530	0.9
122.03642	6.5
123.04462	0.4
123.08076	1.0
127.05462	0.4
128.06218	10.5
129.07004	23.9
130.07373	0.5
131.04930	2.8
131.08580	1.4
132.05664	0.8
133.06456	1.9
135.04399	0.9
135.07971	0.6
136.05188	6.5
137.05974	70.5
138.06297	2.4
143.04900	0.9
143.08568	0.5
145.06517	2.8
146.07263	0.6
147.04376	0.4
147.08037	0.6
149.06007	1.5
151.03966	7.2
151.07536	100.0
152.04271	0.4
152.07878	3.4
153.06874	0.3
155.04886	0.4
155.06020	1.6
156.05731	1.9
157.06480	13.7
158.07164	1.0
159.04483	0.5
160.05177	1.3
161.05962	2.4
161.09596	2.0
163.07532	3.0
165.06970	2.3
167.08548	0.4
169.06517	0.4
173.05966	0.9
173.09610	0.4
173.91843	0.3
174.06763	13.9
175.07530	6.6
176.08200	0.7
177.05487	0.8
177.08977	0.6
178.07741	4.0
179.08510	1.2
181.06497	0.9
187.07559	0.6
189.09094	57.5
190.07884	0.5
190.09416	2.4
191.06987	0.6
191.08565	0.6
192.07761	0.6
192.09340	1.4
193.06461	1.1
193.08446	0.4
193.10130	5.9
195.07997	1.1
197.06042	1.0
202.07803	2.4
203.08600	3.0
203.10364	0.6
205.06479	0.9
205.10201	0.4
206.07300	1.7
207.07994	1.2
209.05865	0.6
209.09634	0.5
210.06705	1.4
210.10237	0.5
211.07498	1.0
212.08304	0.8
219.08080	1.0
220.08876	1.1
221.06093	0.6
221.09589	10.6
222.10117	1.3
223.07492	0.9
224.08292	0.6
225.09055	1.5
231.07921	0.8
234.06703	0.9
235.07541	0.4
235.11143	1.1
237.09175	0.8
238.06160	0.5
238.09904	0.9
239.07043	0.5
240.07654	0.5
241.08443	0.8
247.07402	0.4
248.08444	0.6
249.09044	7.3
250.09607	1.2
251.06931	0.5
253.08636	1.5
253.12221	11.4
254.12535	0.8
263.10553	1.0
266.09299	1.0
267.10016	0.6
269.08075	3.1
270.08978	0.3
272.10245	0.6
272.65036	0.4
280.10776	0.7
281.11679	6.1
282.12244	0.8
284.10339	1.2
285.11176	1.0
295.08215	0.7
298.12125	0.4
313.10770	2.2
313.14279	24.0
313.19995	0.9
314.14807	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	0.6
53.03950	0.5
55.01870	0.7
64.80951	0.3
65.03934	2.3
67.05492	1.1
69.03417	0.7
69.07085	0.4
69.83867	0.6
69.84252	0.6
77.03885	0.3
79.05491	2.2
79.87578	0.3
80.06279	0.3
81.03406	0.9
81.07047	1.8
85.02917	0.4
91.05475	42.1
92.05800	0.9
93.03426	0.4
93.07024	0.5
94.04172	2.2
95.04961	7.1
95.08620	0.7
102.04674	0.3
103.05464	2.8
105.07028	1.7
107.04932	3.4
107.08563	0.4
108.05737	0.6
109.06499	2.0
111.04421	0.5
115.05434	2.1
116.06216	0.3
117.03317	0.4
117.07005	1.4
118.04147	0.3
119.04936	27.4
119.08598	0.4
120.05296	0.8
121.06475	1.3
122.03638	6.1
123.04409	0.4
123.08073	0.9
123.11716	0.8
128.05435	0.2
128.06210	8.4
129.07001	22.4
130.07307	0.7
131.04936	3.0
131.08548	1.0
132.05673	0.5
133.06517	1.5
133.10121	0.4
135.04398	0.4
135.08025	0.8
135.11659	0.3
136.05196	5.8
137.05969	68.5
138.06270	2.0
141.06923	0.6
143.04909	1.0
143.08582	0.4
145.06485	3.1
146.07242	1.1
147.04424	0.4
147.08037	0.8
149.05991	1.2
151.03957	5.7
151.07533	100.0
152.06252	0.4
152.07838	3.4
153.07005	0.4
155.06023	1.0
156.05670	2.1
157.06483	12.5
158.03584	0.4
158.07114	0.6
159.04401	0.7
160.05168	1.1
161.05991	2.8
161.09587	1.8
163.07520	4.4
165.06949	2.6
167.07086	0.3
167.08513	0.3
169.06441	0.5
171.08029	0.5
173.05988	0.5
174.06755	13.0
175.07538	6.2
176.08214	0.6
177.06898	0.4
177.09087	0.7
178.07768	4.3
179.08553	0.6
181.06454	1.0
182.07205	0.8
186.03038	0.5
189.09093	57.5
190.07884	0.4
190.09444	2.3
191.08557	0.5
191.10580	0.5
192.09314	0.8
193.06462	1.0
193.10106	5.9
194.07179	0.5
195.08047	0.5
197.05981	0.8
199.03877	0.3
201.05447	0.5
202.07713	1.7
203.08585	2.8
205.06425	0.6
206.07297	1.7
207.08031	0.8
209.05959	0.8
210.06802	1.4
210.10374	0.4
211.07504	0.9
212.08327	0.9
213.09174	0.3
214.02574	0.8
219.07970	0.5
220.08791	1.1
221.06143	0.6
221.09593	10.1
222.10037	0.8
223.07487	1.0
224.08301	0.7
225.09131	1.5
227.06958	0.3
229.04968	0.6
231.08064	1.1
234.06784	0.6
235.07408	0.4
235.11229	0.8
237.05402	0.4
237.09052	0.8
238.06235	0.4
238.09860	1.2
239.07030	0.5
239.10672	0.5
241.08609	0.8
242.02071	1.2
248.08264	0.4
249.09085	7.7
250.09631	1.0
251.07039	0.3
252.07912	0.4
253.08604	1.5
253.12199	10.2
254.12541	0.8
263.10641	1.1
265.08545	0.3
266.09375	0.9
267.10062	0.7
269.08047	2.6
270.01538	0.7
270.08594	0.3
272.10385	0.9
277.21561	0.5
281.11688	6.3
282.12106	0.8
283.09665	0.3
284.10544	1.5
285.03922	1.7
285.11127	0.6
295.12991	0.5
298.11902	0.3
299.01761	0.9
313.03461	5.1
313.11096	1.2
313.14285	27.7
314.03989	1.5
314.11053	0.5
314.14465	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
55.01862	1.0
55.05516	1.0
57.03420	0.5
57.07055	0.7
65.03940	1.3
67.05512	2.7
69.03418	1.5
69.07072	11.4
69.19430	3.7
75.46661	0.4
77.03918	1.1
79.05501	3.3
79.05872	0.5
81.03449	2.2
81.07059	5.6
83.04971	0.6
84.71684	0.4
85.02906	1.0
88.11275	0.5
91.05483	27.3
93.07037	2.0
94.04185	1.3
95.04961	3.0
95.08619	2.4
97.02895	1.6
97.27993	0.4
101.31841	0.4
103.05460	2.0
104.49583	0.5
105.03405	1.3
105.07031	2.4
106.27235	0.5
107.04951	1.4
107.08584	1.1
109.02888	0.8
109.06535	2.4
109.10147	1.3
111.04433	0.7
115.05473	0.6
117.07020	1.0
119.04944	18.2
119.08605	1.4
120.05273	0.5
121.06530	0.7
121.10152	0.7
122.03640	2.5
123.04432	56.2
123.08031	0.7
123.11704	5.5
124.04783	1.3
127.03906	1.0
128.06215	3.9
129.06963	1.0
131.04938	1.7
131.08626	1.1
133.06497	2.2
135.04453	0.7
136.05202	0.9
137.05977	100.0
138.06296	3.1
143.07431	0.7
143.08559	10.3
145.06483	1.5
145.10126	1.1
147.04411	1.1
149.05998	1.2
151.03949	4.2
151.07547	34.9
151.11192	5.2
152.07904	1.0
153.07018	0.6
157.06514	0.6
159.08058	1.5
160.08804	0.9
161.05965	2.5
161.09650	1.0
163.03911	1.1
163.07562	1.6
164.08276	0.6
165.07019	1.6
165.09114	3.0
169.10330	0.5
171.08063	12.2
172.08705	1.1
173.05943	1.3
174.06779	3.1
175.07538	2.0
175.11113	1.0
176.08183	0.5
177.09100	0.7
179.08542	0.6
181.06508	0.7
182.07286	1.5
183.07976	0.5
188.08319	5.7
189.05455	1.1
189.09116	11.8
190.09668	0.8
191.10625	1.2
193.06517	0.8
197.05991	0.6
198.14935	1.7
199.07532	0.9
203.10672	19.3
204.11050	0.8
210.06735	1.7
211.07590	1.2
213.09019	0.5
221.05966	1.1
222.06647	0.7
224.08447	0.8
225.09019	2.1
226.14392	0.6
227.07066	1.8
239.07085	1.1
252.07872	0.5
253.08644	1.3
255.06430	2.6
269.08124	1.2
270.08847	3.7
271.09732	0.7
281.11664	0.8
284.10498	0.8
297.07574	0.7
298.08401	2.0
313.07001	0.8
313.10645	24.8
313.14349	17.4
313.24866	0.5
314.11029	2.1
314.14691	1.4
336.44522	0.5
337.90240	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1433
Annotation	Kachirachirol B
Peak:m/z	Relative Intensity
51.02374	1.3
53.03935	1.9
55.01875	6.9
55.05508	3.5
57.03424	1.3
65.03933	2.9
65.35269	0.7
67.05505	6.5
69.03416	3.9
69.07068	3.5
69.29740	2.0
69.30149	3.0
71.01355	0.8
77.03944	1.1
79.05485	11.3
81.03407	4.5
81.06638	1.1
81.07061	12.0
83.04957	2.2
83.08629	1.7
85.02880	2.0
85.06529	0.9
91.05477	32.0
92.05813	1.6
93.03390	1.1
93.07043	9.5
94.04189	4.5
95.04961	7.4
95.08602	7.6
97.02902	1.6
97.06526	0.9
97.10147	1.7
97.67884	0.7
99.04458	1.2
103.05463	60.4
104.05732	1.5
105.04454	1.1
105.06367	0.9
105.07029	14.4
107.04954	8.3
107.08582	5.6
109.06508	5.4
109.10139	3.2
111.04455	1.3
111.08087	1.5
115.05444	9.7
117.07011	5.8
119.04941	13.0
119.08579	4.8
121.06497	11.1
121.10133	3.6
122.03646	8.4
123.03636	1.2
123.04430	14.4
123.08062	1.5
123.11696	4.9
125.09613	3.5
127.05433	0.8
128.06218	44.1
129.07057	2.1
131.04922	27.3
131.08571	1.6
132.05403	0.7
133.06490	11.1
133.10161	3.7
135.04387	3.2
135.08040	5.3
135.11664	2.2
136.05185	2.1
137.05971	91.1
138.06305	2.7
141.06999	2.2
142.07750	1.3
143.04898	1.3
143.08554	41.1
144.08885	1.3
145.06490	6.8
145.10118	2.4
146.07233	1.4
147.04420	5.5
147.08080	5.2
147.11656	1.4
148.05186	12.4
149.05974	33.9
150.06348	1.1
151.03922	9.5
151.07538	40.8
152.06181	1.0
152.07860	2.0
153.06960	1.7
155.05991	4.5
157.06451	2.5
157.10088	1.2
159.08092	1.4
159.11673	0.7
160.05165	2.9
161.05974	34.2
161.09587	5.6
162.06325	0.7
163.03886	1.5
163.07538	39.1
164.08308	8.4
165.05652	0.9
165.06996	3.1
165.09120	6.8
169.06494	1.0
169.10254	1.0
171.08047	38.6
172.08308	1.8
173.05943	1.2
173.09607	0.8
173.13338	1.0
174.06758	11.3
175.07430	3.5
177.05540	1.0
177.09018	1.5
178.07768	2.0
179.07040	1.7
179.08502	1.5
181.06503	2.2
182.07234	3.2
185.13319	1.0
188.08342	1.3
189.05472	3.1
189.09097	100.0
190.07964	0.7
190.09370	4.2
192.09322	2.0
193.01346	1.1
193.06482	1.5
195.08063	1.8
197.06078	1.4
201.09146	0.8
203.10661	6.0
205.06487	1.2
206.07315	0.9
207.08008	1.3
207.11688	1.3
210.06715	4.1
211.07539	2.6
219.08041	1.0
220.08774	1.1
221.06004	2.0
221.09741	1.3
223.07516	2.6
224.08237	2.2
225.09186	5.0
227.06963	4.9
233.05887	0.8
235.07446	1.7
235.11189	3.4
237.05293	1.0
237.09113	1.8
238.06226	1.1
238.09827	1.6
239.07008	2.2
241.08575	2.3
241.12300	0.8
248.07957	0.8
251.07155	1.3
252.07860	1.8
253.08607	4.3
253.12271	1.4
254.09448	2.0
255.06488	3.3
257.08185	1.0
259.20383	1.0
263.10602	3.9
266.09216	1.2
267.10275	1.2
267.13739	2.0
269.08075	6.1
270.08755	4.4
271.09470	1.8
272.10400	0.9
277.21521	2.6
278.26031	0.7
281.11755	3.7
284.10419	7.7
285.11203	2.1
295.09982	1.4
295.13235	3.2
295.21951	2.2
298.08316	2.5
298.11719	1.3
305.80609	0.8
311.05551	3.2
313.06964	8.4
313.10632	36.9
313.14310	49.9
314.08151	5.0
314.11115	2.9
314.14240	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1432
Annotation	Kachirachirol B
Peak:m/z	Relative Intensity
50.01612	0.7
53.03935	1.7
54.91103	0.7
55.01877	5.2
55.05509	0.7
57.17986	0.7
65.03931	2.7
67.05499	2.6
69.03429	3.5
69.07055	0.9
71.04979	1.2
71.32598	1.2
77.03897	1.4
79.05490	7.7
81.03412	2.6
81.07042	3.7
84.32366	0.7
85.02888	1.3
91.05476	33.7
92.82512	0.8
93.03418	1.1
93.07035	4.2
94.04196	5.2
95.04965	8.1
95.08592	1.9
95.87716	0.7
99.04453	0.7
103.05462	39.9
104.47454	0.6
105.03352	1.1
105.04498	1.0
105.07020	10.1
107.04952	7.2
107.08556	1.8
109.02868	1.5
109.06509	3.7
115.05462	9.5
117.07001	6.0
119.04935	18.0
119.08572	2.7
120.05254	0.9
121.06480	7.9
121.10172	0.8
122.03645	10.1
123.04435	8.8
123.11678	0.9
124.05162	0.8
125.05956	0.9
127.05474	0.9
128.06212	28.0
129.07011	12.3
131.04916	20.7
131.05888	1.2
131.08565	1.6
132.05721	1.4
133.06477	6.5
133.10165	0.9
135.04369	2.3
135.08020	3.9
136.05220	3.6
137.05968	100.0
138.06311	2.5
141.06982	1.8
143.04907	2.7
143.08542	29.6
144.08914	1.4
145.06508	6.5
146.07256	2.4
147.04414	5.2
147.08015	2.5
148.05176	8.8
149.05966	22.0
150.06203	0.9
151.02655	1.1
151.03909	23.7
151.04976	2.3
151.07529	66.4
152.06155	1.5
152.07889	2.1
153.05489	1.6
153.06984	1.2
155.06041	2.7
156.05676	1.4
157.06493	8.2
158.06956	1.2
159.07994	0.9
160.05179	3.8
161.05969	30.9
161.09624	6.1
163.07526	26.8
163.08881	1.5
164.08345	7.9
165.06973	2.4
165.09140	5.4
169.04980	1.6
169.06448	1.6
171.08038	26.7
172.08400	1.3
173.06003	1.2
174.06740	11.5
175.07544	5.3
177.06960	0.8
177.09061	1.6
178.07768	2.9
179.08478	1.5
181.06432	0.8
189.09091	86.2
190.09497	3.9
192.09274	1.5
193.06454	0.9
193.10074	3.5
195.08028	2.1
196.08580	1.0
197.06001	1.3
202.07727	1.9
203.08714	1.3
203.10684	3.7
205.06653	0.9
206.07153	1.2
207.08078	1.5
207.11728	1.4
210.06752	1.7
211.07529	3.4
213.09148	1.0
219.07993	1.2
220.08792	1.6
221.06062	1.2
221.09566	4.6
223.07605	2.1
224.08334	2.0
225.09081	2.3
229.08618	1.2
234.06699	0.8
235.07515	1.7
235.11185	3.0
237.09108	2.0
238.09834	1.6
239.07047	3.1
239.10620	1.3
241.08543	1.5
248.08263	1.5
249.09042	4.1
251.06955	1.2
252.07883	0.9
253.08490	1.8
253.12189	5.3
254.09367	1.5
255.06548	0.9
255.10049	0.9
257.08054	1.4
263.10660	3.7
265.08572	1.9
266.09280	1.7
267.10153	1.8
267.13730	1.0
269.08127	4.7
270.08682	2.0
271.09460	1.2
272.10361	4.3
280.10754	1.6
281.11542	4.9
284.10376	5.9
285.11298	1.7
295.08139	1.0
295.13171	3.5
298.11935	1.6
313.06854	1.7
313.10715	4.9
313.14276	81.1
314.14716	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	313.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.3
55.01872	6.3
55.05513	1.4
55.06027	0.7
57.03456	0.9
64.19454	0.9
65.03931	0.8
67.05507	4.3
69.03423	1.3
69.07070	3.1
69.28455	6.6
77.03931	1.0
79.05502	7.3
81.03426	3.1
81.07065	4.4
81.64806	0.8
91.05478	20.7
93.07044	8.1
94.04206	1.4
95.04973	7.4
95.08616	4.7
102.04668	1.1
103.05467	46.2
104.06277	7.5
105.04519	1.1
105.07037	16.3
107.04955	18.5
107.08598	1.7
109.02879	1.5
109.06526	2.1
109.10148	1.7
111.04440	1.5
113.19901	0.8
115.05460	4.8
117.07037	2.1
119.04935	6.6
119.08588	2.2
120.05750	1.1
121.06506	16.0
121.07330	1.2
121.10165	1.8
121.73904	0.7
122.03659	3.9
123.04430	19.6
123.07994	0.8
123.11691	2.3
124.92895	0.8
128.06223	9.6
129.07028	1.4
131.04926	25.7
131.08578	0.9
132.05750	5.5
132.20595	1.1
133.06485	15.6
133.07405	1.5
133.10150	1.3
135.04434	3.1
135.08070	6.6
135.11732	1.6
137.05974	61.0
138.03239	1.0
138.06325	1.9
143.08562	8.0
145.06509	2.4
146.07233	1.0
147.04390	7.2
147.08055	3.0
147.11752	1.2
148.05214	10.8
149.05977	61.3
150.06282	1.4
150.54370	0.9
151.03928	7.1
151.07529	19.3
151.11053	1.3
153.06967	1.5
155.06004	0.8
157.06528	1.9
160.05266	1.3
161.05968	14.6
161.09641	2.5
163.07536	38.5
164.08330	100.0
165.07106	1.8
165.09009	7.1
171.08029	10.3
173.06140	0.9
174.06773	2.2
175.07539	21.9
176.08075	1.2
177.09103	1.4
179.07076	2.7
180.07793	1.8
181.06436	1.2
182.07208	1.6
183.08110	1.6
189.09116	35.2
190.09526	1.7
195.08047	1.2
197.06030	2.0
198.06876	1.2
203.10625	4.5
207.08206	0.8
210.06876	1.8
211.07492	6.2
212.08366	1.5
221.06064	1.6
223.07735	1.2
225.09108	2.9
227.06979	3.1
235.11172	1.3
239.06982	1.7
242.05843	0.9
243.10223	2.7
253.08739	2.2
254.09465	2.5
255.06522	1.4
255.09958	1.0
259.20517	0.9
263.10666	1.8
265.08249	0.9
269.08038	1.4
270.08881	2.0
271.09579	1.4
272.10452	3.2
277.21707	1.6
280.10950	1.0
284.10483	1.3
285.11356	1.4
295.13284	1.3
295.22791	1.3
313.07019	1.5
313.10657	18.5
313.14368	16.1
313.18054	2.1
314.11270	1.3
314.14774	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1432
Annotation	Letestuianin C
Peak:m/z	Relative Intensity
53.03938	4.3
55.01857	10.0
55.05506	6.3
56.05880	1.7
61.45333	1.5
65.03905	2.7
65.21724	1.5
67.05506	7.4
68.10732	1.7
69.03420	2.5
69.07069	3.9
71.05003	2.2
72.08144	3.8
79.05493	13.5
79.62305	1.6
81.03423	2.0
81.07062	9.6
83.04984	3.6
83.08632	4.6
91.05484	17.7
93.07034	14.5
94.07383	2.2
95.04978	7.2
95.08604	5.3
97.06527	5.5
97.10133	1.7
103.05463	66.5
104.06297	2.5
105.07018	19.0
107.04948	16.4
107.08599	5.9
109.06502	3.0
109.10163	3.2
111.04463	3.4
113.60149	1.8
115.05434	4.4
117.07013	3.1
119.04987	4.8
119.08590	4.6
121.06500	20.0
121.10151	3.0
122.03653	1.6
123.04429	12.7
123.08018	2.2
125.66714	2.0
128.06236	4.5
129.06982	1.7
131.04936	41.1
132.05710	2.8
133.06487	26.1
135.04433	3.5
135.08054	6.2
135.11713	2.8
137.05969	59.0
138.06322	2.0
143.08542	5.9
145.06464	2.0
147.04398	12.1
147.08081	3.3
148.05173	4.7
149.05977	100.0
149.13275	4.9
150.06367	3.2
150.13589	8.3
151.03912	7.0
151.07542	16.7
151.11214	1.9
152.06216	1.9
153.01866	6.0
153.07014	2.0
157.10173	2.4
161.05977	9.5
163.07533	38.8
164.08336	68.7
164.16696	1.7
165.06993	3.9
165.09116	4.7
168.14632	2.2
169.10220	1.7
171.02922	2.9
171.08118	5.9
174.06862	2.2
175.07545	20.7
177.09200	1.8
179.07042	5.0
180.07780	2.8
181.06480	2.8
184.16983	2.4
185.17328	4.0
189.09087	24.1
195.08073	2.4
197.06059	2.4
199.02257	2.2
203.10579	3.8
207.07957	2.6
210.06813	3.3
211.07506	3.4
211.14911	2.0
223.07500	4.1
225.09048	4.9
227.07019	7.0
228.86462	1.9
235.07623	2.9
235.51352	1.8
239.07135	4.4
240.07843	3.2
252.07849	4.3
253.08611	7.2
253.19637	1.9
254.09456	4.9
255.06581	4.7
263.10632	2.7
267.10068	2.0
267.21396	9.7
269.08023	3.3
270.08948	6.3
280.11191	2.1
281.07962	2.7
283.05869	2.4
285.07993	3.1
285.11227	6.2
295.09732	3.6
295.12994	1.9
295.20926	18.5
298.08325	2.8
299.09116	2.3
313.07053	26.9
313.10651	42.8
313.14374	19.2
313.17322	2.0
313.21863	5.8
314.07568	2.9
314.11014	4.0
314.14291	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1434
Annotation	Letestuianin C
Peak:m/z	Relative Intensity
50.03099	0.4
51.02379	0.8
52.03180	0.4
53.03943	1.8
54.93961	0.4
55.01870	7.2
55.05510	1.5
56.92039	0.5
57.03439	0.6
57.65694	0.5
58.48600	0.5
65.03939	2.0
66.04709	0.5
67.05513	3.0
69.03426	2.0
69.07065	1.5
71.04998	0.6
71.30141	0.4
77.03896	1.0
79.05494	7.1
81.03410	1.2
81.07054	4.6
83.08623	0.6
85.06548	0.5
90.93746	0.4
91.05476	26.7
93.07036	5.6
94.04195	3.0
95.04963	7.4
95.08589	2.9
97.06554	0.6
97.10180	0.8
103.05463	52.4
104.05786	1.1
105.03424	0.8
105.04539	1.0
105.07029	10.6
107.04948	7.9
107.08587	3.2
109.02879	1.1
109.06524	4.7
109.10139	1.1
111.04453	0.5
115.05451	8.4
117.07018	5.6
119.04935	12.1
119.08572	4.2
120.05778	0.4
121.06499	9.3
121.10159	1.8
122.03651	8.2
123.04430	13.5
123.08025	1.0
123.11718	1.2
125.05981	1.0
125.09645	0.8
127.05403	1.0
128.06216	43.4
129.06961	1.8
131.04924	23.0
131.08575	1.2
132.05725	1.1
133.06487	7.1
133.10158	1.5
135.04414	1.7
135.08064	4.1
136.05167	1.3
137.05971	87.3
138.06320	2.0
141.07002	2.5
142.07790	1.2
143.04895	0.7
143.08553	37.3
144.08893	1.4
145.06474	6.5
145.10085	0.7
146.07278	1.1
147.04407	3.7
147.08040	6.3
147.11710	0.6
148.05183	11.7
149.05978	35.6
150.06381	1.0
151.04015	2.5
151.07538	40.9
152.06209	1.3
152.07877	1.0
153.07005	1.9
155.06029	2.8
156.05672	1.2
157.06520	0.8
159.08029	0.5
160.05208	3.5
161.05980	31.1
161.09589	5.1
162.06314	1.0
163.03873	1.0
163.07535	38.4
164.08321	8.3
165.01779	0.7
165.06981	1.7
165.09100	6.7
168.05692	0.8
169.06534	0.8
171.08046	34.4
172.08389	1.4
173.06000	1.2
174.06754	9.7
175.07516	2.9
177.09082	1.1
178.07742	1.3
179.07164	0.6
179.08577	1.4
181.05014	0.8
181.06494	1.6
182.07224	0.8
183.08047	3.3
188.08298	0.8
189.09097	100.0
190.09477	5.0
190.61003	0.5
191.08571	0.6
192.09311	1.4
193.06494	0.7
195.08009	1.2
197.06062	0.5
197.09630	0.9
198.06775	1.0
199.07504	0.7
203.10640	6.0
205.06567	0.8
207.08023	1.4
207.11737	1.1
209.06064	0.7
209.09529	0.8
210.06734	1.5
211.07512	6.2
211.10852	0.5
212.08080	0.5
213.09097	1.5
217.09946	0.6
219.08002	1.1
220.08864	1.5
221.05870	0.8
221.09604	0.7
223.07449	1.6
224.08340	1.5
225.09062	2.5
226.06325	0.7
226.09714	0.6
227.07043	1.8
228.76421	0.7
235.07561	0.6
235.11182	2.3
237.09082	1.3
238.09828	1.4
239.07030	1.5
239.10550	1.1
241.08525	1.6
242.09225	0.7
243.06563	2.5
243.10135	6.1
248.08293	1.4
249.09135	0.6
251.06961	1.0
252.07837	1.4
252.11345	0.6
253.08423	2.4
253.12149	1.3
254.05626	0.6
254.09225	1.3
255.06502	1.4
257.08115	0.6
263.10666	4.0
264.11163	0.6
265.08597	1.0
266.09314	1.1
267.10220	1.2
267.13754	1.5
269.08124	5.5
270.08853	3.4
271.05902	0.7
271.09607	1.1
272.10205	1.1
277.21451	0.8
280.10864	0.9
281.11716	2.2
281.15103	1.3
284.10443	6.9
285.07693	0.9
285.11050	1.7
286.08304	6.5
295.10056	0.8
295.13190	4.2
297.07556	0.7
298.08286	2.0
298.11636	0.8
313.03296	1.4
313.06903	2.1
313.10617	17.3
313.14273	42.8
313.17899	5.1
314.07874	10.7
314.11133	1.3
314.14594	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	313.1432
Annotation	Letestuianin C
Peak:m/z	Relative Intensity
52.10934	1.5
52.20079	1.5
55.01871	15.5
55.05517	3.8
59.03860	1.4
60.04525	1.8
64.46469	1.6
65.03948	2.5
67.05506	9.3
69.03430	2.7
69.07076	4.4
69.14840	14.4
69.98067	1.4
71.79020	1.4
77.03953	2.3
79.05477	12.8
81.03415	2.2
81.07073	11.8
91.05482	19.4
93.07038	12.0
94.04189	2.1
95.04959	7.5
95.08610	11.4
97.06532	28.3
98.06895	1.8
103.05463	87.1
103.92601	1.5
104.06264	3.9
105.07030	20.9
107.04957	23.2
107.08588	3.8
109.06517	5.2
109.10166	5.9
111.04467	2.3
111.08107	4.6
115.05453	5.1
117.07009	4.7
119.04935	6.8
119.08592	2.3
121.06507	16.3
121.10159	3.8
121.81998	1.6
122.03658	7.0
123.04409	15.8
123.08060	5.7
125.06014	3.6
125.09617	2.7
128.06221	7.8
129.07011	6.5
131.04932	51.6
131.08557	2.5
132.05716	2.1
133.06494	21.9
135.04485	1.9
135.08055	5.9
137.05974	100.0
138.06319	2.3
139.07524	10.2
141.07083	1.8
143.08557	10.8
145.06479	2.5
145.10185	1.7
147.04393	13.5
147.08076	3.5
148.05222	7.8
149.05977	94.2
150.06332	4.0
151.03928	3.1
151.07542	19.8
157.06523	4.6
157.08572	3.3
159.11716	1.8
160.05101	1.6
161.05984	10.0
161.09602	2.8
163.07541	43.5
164.08337	52.9
164.09686	3.3
165.06998	5.0
165.09015	5.6
169.06520	5.1
171.08018	11.9
174.06802	3.2
175.07565	16.1
179.06998	3.1
180.07808	2.9
181.06500	2.2
188.08255	1.6
189.09088	35.4
193.06548	2.7
197.06035	7.7
203.10709	8.0
210.06772	2.7
211.07541	6.1
221.05934	4.6
221.09648	1.8
223.07506	2.0
224.08446	2.6
225.05435	2.8
225.09216	4.7
227.06996	7.8
229.08588	2.0
235.07521	2.7
237.05585	2.0
238.06157	2.0
239.07071	7.6
240.07712	2.8
252.07881	3.6
253.08530	5.4
253.12273	2.3
254.09352	5.3
255.06540	4.4
257.08173	4.8
263.06476	1.8
263.10687	2.2
267.10291	2.5
270.08926	6.9
272.10385	25.9
273.10870	2.2
277.21591	1.8
281.11685	2.7
284.10458	2.7
285.11209	3.6
295.09775	3.4
295.13107	3.5
298.08310	3.0
313.10660	39.0
313.14374	31.0
313.21878	3.4
313.25400	12.2
314.11142	3.7
314.14661	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	313.1431
Annotation	5,22-dihydroporphyrin
Peak:m/z	Relative Intensity
53.39718	0.3
55.01886	0.4
55.05515	1.8
57.03434	0.5
59.05001	0.9
67.05479	0.4
69.07125	0.5
69.07535	3.7
79.05502	0.4
81.07046	0.8
82.91698	0.3
83.04972	3.4
83.06245	0.3
83.08590	0.4
91.05486	1.2
95.04982	0.7
95.08643	0.3
97.06519	0.4
103.05470	0.9
105.07053	0.4
109.06513	0.3
109.10182	0.5
109.26913	0.4
115.05464	0.5
119.04962	0.4
119.08568	0.4
122.03711	0.5
123.04428	0.5
125.05981	3.7
125.06648	0.3
128.06247	0.6
129.07007	1.0
131.04958	0.5
133.06496	1.4
133.10060	0.5
135.04396	0.5
137.05989	3.4
141.06970	0.7
143.08575	0.8
149.06038	0.4
151.03905	1.1
151.07593	0.7
152.06259	1.1
153.06976	2.0
154.07790	1.2
157.06519	0.8
161.05991	1.7
165.06999	5.0
166.07832	1.6
167.08519	3.3
168.05733	0.5
169.06473	7.6
169.10042	0.5
170.06973	0.6
171.08049	0.7
174.06699	0.5
175.07591	0.4
178.07709	2.9
179.03380	0.6
179.08588	1.3
181.04964	3.2
181.06519	3.1
181.24501	0.3
182.07268	6.3
183.07997	1.3
185.05879	0.5
189.05470	1.3
189.09067	2.6
190.09790	0.4
192.09360	0.4
193.06345	0.4
193.10109	5.6
194.07300	1.0
195.08003	4.6
196.08801	1.7
197.05949	3.8
197.09599	26.9
198.06693	1.1
198.10031	1.2
199.03917	1.0
199.07556	2.2
199.36717	0.3
199.93179	0.3
202.07890	0.4
203.08676	0.4
206.07263	1.0
207.07962	0.4
209.06007	0.9
209.09641	1.0
210.06766	5.1
210.10371	2.1
211.07491	2.3
211.11301	0.4
212.08253	0.7
213.05464	0.9
213.09064	2.6
214.06218	2.3
214.09689	0.7
217.08647	1.1
219.08324	0.4
220.08926	0.7
221.09598	5.5
222.10207	1.1
223.07550	2.3
223.11194	0.6
224.08308	2.2
225.05620	4.6
225.09071	19.6
225.12729	1.1
226.06203	1.4
226.09593	1.7
227.07019	3.5
227.10590	1.9
228.07825	0.7
229.08577	13.1
230.09152	0.9
234.06891	0.6
235.07614	0.5
235.11124	0.7
237.09103	0.6
238.09856	5.2
239.07030	0.8
239.10680	3.2
240.07780	5.9
240.11446	0.4
241.08569	10.7
242.05687	0.6
242.09312	3.6
243.09923	0.4
248.08368	0.4
249.09035	2.3
250.09718	0.4
251.07028	1.1
253.12227	9.0
254.12575	0.8
255.06516	0.6
255.10135	7.9
256.07297	0.9
256.10922	5.3
257.08090	1.7
257.11713	24.5
258.12067	1.4
263.10611	0.7
265.08502	0.7
266.09399	2.0
267.10074	0.6
269.08173	1.4
269.11673	0.5
270.08847	32.9
271.09161	2.2
280.11029	0.7
281.11673	6.2
282.12320	0.6
283.09491	1.8
284.10422	0.9
285.14801	5.2
285.17792	0.6
295.13342	1.4
298.08374	15.6
298.11804	1.4
299.08704	0.8
311.09000	0.8
313.10675	100.0
313.14359	53.6
314.11029	7.7
314.14679	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.0
55.01882	7.6
55.05515	9.1
65.03941	2.9
67.05212	1.6
67.05509	18.8
68.99798	2.2
69.03423	4.3
69.07072	9.2
69.85124	5.6
70.04198	2.1
70.06593	1.5
71.04996	4.1
79.05492	19.3
79.22266	1.4
81.03415	3.5
81.07053	17.4
83.01338	2.5
83.04984	1.9
83.08612	5.9
85.06528	3.2
91.04943	2.6
91.05482	38.1
93.07041	16.8
94.04179	2.6
95.04974	8.9
95.08602	12.3
97.02879	4.7
97.06497	2.2
97.10184	3.1
98.03691	1.6
98.23294	1.8
102.04700	2.0
103.05470	68.7
105.03400	1.4
105.07020	17.7
107.04947	10.1
107.08604	13.2
109.02878	3.3
109.06531	7.8
109.10148	6.4
111.08044	1.8
115.05441	10.5
117.07028	8.7
119.04941	13.2
119.08561	6.3
121.02861	1.7
121.06496	11.6
121.10119	9.8
122.03647	5.3
123.04434	15.6
123.08068	2.7
123.11699	4.2
125.05987	1.7
125.09612	6.2
126.03150	3.5
127.03888	1.6
128.06218	49.5
129.06950	5.2
130.04141	1.7
130.08638	1.9
131.04926	35.5
131.08548	4.0
133.06485	12.2
133.10106	5.4
135.04427	11.0
135.08040	5.2
135.11691	7.5
136.05121	1.5
137.05975	100.0
138.06290	3.0
139.11166	3.0
141.06969	3.1
143.04901	4.0
143.08562	30.5
145.06458	5.8
145.10056	2.6
147.04411	13.0
147.08020	4.4
147.11711	3.3
148.05185	37.2
149.05986	23.4
149.13239	3.3
151.03900	7.4
151.07538	50.8
152.06187	1.7
153.01846	3.7
153.06958	2.3
154.02550	3.2
155.06001	3.4
157.06566	2.8
157.10066	1.6
159.08141	1.7
159.11714	1.5
160.05154	1.8
161.05983	39.3
161.09578	6.8
162.06548	2.3
163.07539	50.8
164.08350	15.5
165.05672	1.9
165.07030	3.8
165.09122	8.4
169.01347	3.2
169.06522	2.4
171.08043	35.4
171.11664	2.1
172.08365	1.7
173.13312	1.5
174.06720	6.9
175.03906	3.8
175.07588	3.2
178.07722	2.0
179.08424	1.7
181.06529	3.8
182.02127	11.9
183.08067	5.1
185.13148	1.4
189.09102	94.8
190.09486	5.5
194.07196	1.6
195.07979	3.0
197.06024	3.8
197.09590	2.6
200.03143	6.8
203.10664	4.4
209.06076	1.3
210.06731	4.0
211.07503	11.8
212.07967	2.0
213.05403	1.7
213.11099	1.6
214.06250	1.6
221.06067	3.0
223.07579	2.8
225.05597	2.1
225.09036	4.3
227.07034	3.9
229.08627	4.9
235.11264	2.8
237.09044	2.1
238.06396	1.6
239.07014	12.6
240.07645	2.9
241.08572	2.8
241.19400	2.4
243.06592	2.0
245.07980	2.7
252.07771	2.4
253.08588	4.8
253.12379	1.7
254.09406	5.3
255.06572	3.8
255.09813	2.1
257.07990	9.2
259.20599	5.5
263.10626	1.7
269.08151	4.4
270.08795	4.6
271.05911	2.0
272.10431	44.9
273.10693	1.9
277.21545	9.8
281.11523	2.7
283.08743	2.4
284.10446	4.2
285.07614	4.1
285.10788	1.9
295.13263	2.8
295.22452	2.1
298.08310	3.0
313.06924	9.7
313.10565	40.4
313.14340	49.8
313.17728	2.5
313.25281	1.4
314.07806	56.9
314.11407	3.0
314.14578	3.1
324.08121	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2006
Annotation	(+)-Neomethynolide
Peak:m/z	Relative Intensity
52.99482	1.2
53.03938	2.6
55.01871	9.8
55.05507	87.3
56.05826	1.5
57.03428	2.8
58.13752	1.2
59.04984	1.3
67.05503	27.1
69.03426	8.3
69.07066	24.0
69.56596	7.6
71.04991	1.8
79.05487	28.1
81.03377	1.8
81.07052	26.9
83.04980	7.3
83.08614	48.7
85.06554	2.9
87.34534	1.3
91.05486	6.2
93.07041	19.3
95.04957	2.6
95.08591	13.7
97.06516	2.2
97.10162	95.4
98.10519	1.6
98.23265	2.2
101.09662	1.4
105.07002	3.7
107.04974	1.7
107.07896	0.9
107.08577	25.8
109.06517	2.8
109.10155	6.0
111.08085	2.9
111.11728	1.4
117.06992	2.2
119.08584	4.3
121.10143	9.0
123.08076	6.4
123.11699	1.9
125.09621	100.0
126.09971	2.7
131.08614	1.5
133.10112	2.2
135.08041	9.9
135.11687	2.5
137.09622	4.6
139.11159	8.0
143.10658	11.7
144.06322	1.6
145.06660	1.4
145.10135	2.2
150.71947	1.1
151.07558	1.8
153.09093	11.4
154.32137	1.2
157.10150	1.4
161.13345	1.1
171.10152	8.8
175.14877	1.1
189.11208	88.5
190.11621	4.0
227.07101	1.6
255.06660	1.3
259.20370	1.7
277.17993	2.0
277.21600	7.8
295.22641	3.4
313.10556	5.8
313.21442	2.4
313.25284	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.237
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
55.05508	37.5
57.07070	31.0
63.20874	5.3
64.75347	6.7
67.05495	100.0
69.05946	64.6
69.07052	44.0
71.04983	10.5
71.08623	6.6
74.76103	5.3
79.05475	37.1
81.07050	85.1
83.08619	25.0
91.05466	23.8
93.07033	45.1
95.04939	8.9
95.08603	51.1
97.10155	14.9
98.22509	10.4
105.07043	26.0
107.08593	34.9
109.10145	69.4
114.10306	7.7
119.08563	19.7
121.10090	31.6
123.08077	10.2
123.11705	10.5
125.09624	9.0
131.08582	9.0
133.10071	9.9
135.11682	18.1
137.02298	9.9
137.09602	10.2
143.08563	7.0
145.10097	11.8
147.04445	5.6
147.11713	12.7
159.11731	8.5
161.13174	13.6
171.11700	12.7
173.11758	44.4
173.13132	9.7
175.14799	11.3
181.04889	7.7
182.05266	13.8
229.57607	6.4
259.20297	6.6
277.21625	42.6
313.10696	14.1
313.15771	10.0
313.21442	14.9
313.24759	14.9
313.32935	9.1
314.13773	9.8
314.34128	84.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	23.2
55.05511	34.4
59.42772	3.3
62.64288	3.8
65.03942	3.7
67.05505	55.7
69.07069	29.8
70.94553	6.6
71.04994	7.6
71.08640	10.8
78.26638	3.8
79.05492	41.0
81.03401	4.2
81.07060	45.3
83.04990	15.8
83.08623	16.8
85.06537	7.5
91.05479	50.3
93.07041	42.4
95.04967	9.3
95.08617	27.1
97.06519	14.7
97.10199	9.5
99.08131	5.6
103.05460	61.0
105.07011	28.4
106.65410	4.2
107.04929	12.4
107.08586	25.1
109.06514	7.7
109.10171	19.4
111.08099	13.0
115.05444	16.0
117.07025	10.0
119.04942	10.6
119.08588	14.6
121.06534	11.6
121.10165	18.1
122.03575	3.9
123.04440	14.2
123.08025	8.6
123.11646	5.9
125.09665	10.3
127.53793	3.5
128.06224	47.5
129.07047	3.4
130.04149	5.4
131.04915	39.1
131.08540	5.1
132.39964	3.3
133.06491	12.3
133.10143	10.1
135.08086	8.7
135.11691	12.4
137.05975	88.5
137.07001	5.8
137.09593	7.9
138.06273	4.5
139.07536	5.2
139.11188	15.1
141.07068	4.0
143.08531	29.6
145.06462	9.1
146.07236	3.6
147.04387	17.8
147.11673	9.9
148.05193	51.9
149.05986	22.8
149.13261	12.4
150.06804	3.7
151.07541	63.6
151.11232	9.9
152.06366	4.0
159.11716	8.6
161.05977	37.2
161.09685	5.9
161.13206	9.6
162.06622	5.2
163.07515	56.6
164.08324	16.3
165.06931	5.5
165.09137	8.1
165.12836	3.7
171.08015	32.9
171.36922	3.7
173.11742	5.2
174.06813	5.9
177.12772	4.7
179.14363	6.1
179.59767	4.0
183.08113	5.0
189.09097	100.0
193.06535	5.4
195.07983	4.1
195.13831	8.2
197.05968	4.5
200.37044	4.1
210.06729	5.9
211.07475	17.8
214.06207	4.0
221.05911	8.0
223.07527	7.1
224.08456	5.0
225.05563	7.7
225.09155	7.7
227.06970	7.7
227.19972	3.6
229.08640	7.0
239.07069	16.7
245.08168	5.1
249.22220	8.8
252.07857	4.7
253.08554	7.1
254.09413	15.2
255.06430	7.3
255.10176	5.2
257.08209	6.3
259.20648	6.4
267.10336	6.8
270.08932	9.0
272.10431	56.6
277.21622	44.3
285.11426	4.9
295.22708	12.4
313.10675	53.6
313.14380	39.7
313.25360	12.6
314.11166	4.4
314.14578	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79128	4.0
53.03933	7.3
55.01852	8.5
55.05511	38.2
55.65621	3.9
57.07074	8.5
65.03929	4.7
67.05505	63.2
69.03416	11.8
69.07061	80.1
69.26629	21.9
69.27033	8.8
71.04974	12.5
71.08620	16.9
72.08102	4.4
79.05487	88.9
81.03398	14.5
81.07052	99.6
82.06568	4.5
83.04977	11.6
83.08604	21.0
85.06545	10.2
88.11257	9.9
88.95863	3.8
91.05467	53.3
93.07041	83.4
95.04977	10.0
95.08601	60.6
97.06530	34.0
97.10193	10.4
98.09681	16.0
98.22552	9.1
98.97602	5.3
99.08089	11.3
103.05462	8.9
105.07012	52.3
107.04964	8.8
107.08578	52.4
109.06493	6.9
109.10159	25.9
111.04465	8.4
111.08034	13.8
115.05449	5.7
116.10702	8.8
117.07009	23.0
119.04845	6.0
119.08555	40.8
121.06483	13.1
121.10121	41.5
123.08066	58.6
123.11669	11.8
125.09673	7.2
129.06990	9.3
131.04900	15.8
131.08575	14.0
133.06467	7.5
133.10114	13.8
135.08040	14.4
135.11679	40.8
137.05942	39.4
137.09607	8.1
137.13203	6.4
139.07570	8.8
139.11188	15.7
143.08536	10.8
145.10114	13.3
147.04391	5.9
147.08008	6.9
147.11699	14.4
148.05157	4.6
149.05959	7.3
149.09569	14.5
149.13232	5.0
151.03899	47.8
151.05026	6.8
151.07570	25.8
153.09097	5.9
153.12741	13.8
157.10114	8.3
158.93187	4.0
159.11650	8.8
161.06017	9.0
161.09641	4.9
161.13266	7.0
163.07529	50.7
163.14850	7.2
164.07840	5.9
165.06950	7.3
165.09149	5.8
167.10609	4.3
170.15367	53.8
171.11662	11.6
173.13232	10.4
175.14827	14.9
176.79097	4.1
177.05469	7.8
177.08981	4.5
182.05310	5.8
185.13333	6.4
189.09116	16.6
193.15881	6.6
194.07112	4.9
198.14871	100.0
199.15201	4.6
221.05824	4.5
225.09134	8.1
226.14348	42.5
227.07092	9.3
239.07025	4.6
241.19528	13.9
252.07863	5.1
253.08452	10.0
255.06441	10.7
259.20541	29.2
270.08713	11.4
277.21619	79.0
278.22366	4.9
283.06189	6.5
285.11136	6.7
295.22687	43.0
298.08081	4.8
313.07147	9.2
313.10684	68.3
313.14157	6.6
313.24869	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	313.237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.4
55.01863	10.6
55.05287	4.0
55.05512	40.4
57.07059	4.6
60.04523	28.4
67.05496	46.2
69.03409	5.8
69.07063	46.8
69.45418	19.8
69.45837	6.1
71.04980	9.1
72.04536	3.9
72.08159	4.3
79.05486	42.3
81.03386	4.1
81.07052	59.6
83.04984	7.8
83.08622	31.9
85.06521	5.4
91.05470	22.9
93.07030	49.6
94.07375	4.5
95.04961	10.2
95.08598	56.1
97.06530	15.9
97.10170	22.8
99.01365	3.5
103.05493	5.5
105.07014	19.9
107.04940	3.6
107.08595	32.5
107.57777	3.5
109.06534	6.2
109.10143	20.1
111.04429	3.9
111.08054	12.5
117.07044	7.1
119.08569	14.4
121.10125	30.6
122.10455	3.1
123.08059	25.0
123.11672	7.9
125.09626	16.1
129.07007	7.3
131.04901	8.1
131.08517	3.7
133.06496	4.2
133.10095	11.8
135.08069	3.7
135.11687	21.1
137.05971	11.6
137.09589	9.8
139.07576	5.4
139.11142	17.4
140.07825	4.6
143.08548	6.3
145.10133	6.3
147.11653	6.3
149.13237	8.2
151.07481	7.9
151.11153	4.6
153.12738	9.6
156.10204	6.6
157.10370	5.8
159.11644	6.9
161.05913	6.0
161.13277	5.8
163.03975	3.3
165.06982	9.4
167.14079	3.6
169.06480	4.4
171.11685	4.0
173.13199	5.3
175.14803	7.5
177.07037	3.8
179.08528	3.7
181.06445	6.7
182.05325	3.5
182.07266	6.9
185.13234	3.6
189.11186	8.5
193.06476	4.4
207.07880	6.3
209.06041	3.8
210.06822	6.4
221.05957	10.1
224.08232	5.1
225.09033	14.6
227.07059	19.5
239.07002	5.3
241.19464	7.8
249.22043	5.3
252.07712	7.6
253.08556	12.9
254.09415	5.2
255.06546	11.9
259.20569	9.2
267.10242	5.5
269.08191	5.2
270.08771	11.2
271.09448	4.1
277.21619	38.7
281.07986	8.4
285.11295	11.3
295.22668	13.7
296.25784	4.5
297.07535	6.1
298.08426	15.1
313.07376	4.5
313.10663	100.0
313.21893	6.9
313.25146	7.7
314.10956	8.7
314.26819	11.5
333.48703	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	313.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.0
55.01863	14.5
55.05511	37.5
57.03418	11.3
58.71360	4.5
67.05502	93.4
69.03429	6.9
69.07058	43.2
70.07375	8.0
70.07767	9.5
71.04980	18.8
71.08598	4.7
77.28939	3.9
77.65321	4.1
79.05489	62.6
81.03425	4.6
81.07056	81.4
83.01337	5.3
83.04968	12.0
83.08609	15.5
85.06542	7.0
85.22753	4.3
91.05482	40.3
93.07044	72.7
94.07324	4.9
95.04975	6.7
95.08600	100.0
97.06517	16.8
97.10164	26.3
101.87374	3.9
103.05473	30.3
105.07017	31.8
107.01328	6.8
107.04933	6.2
107.08596	61.7
109.06493	6.7
109.10132	36.2
111.08039	6.3
113.09643	7.4
115.05442	4.7
117.06973	6.8
119.04933	6.1
119.08580	26.2
121.06487	6.6
121.10146	62.4
122.10498	5.3
123.04385	10.2
123.08051	13.6
123.11751	9.5
125.09656	25.7
129.06979	5.6
131.05003	20.9
131.08557	11.7
133.06477	18.7
133.10112	15.7
135.04443	6.3
135.08054	5.0
135.11682	35.7
137.05952	37.1
137.09612	13.6
139.11162	15.7
143.08588	9.3
145.10120	8.0
147.04376	5.1
147.11670	12.4
149.05975	41.3
149.13245	16.7
151.03918	20.8
151.07564	10.5
153.01804	19.0
153.09055	6.8
159.11723	7.6
161.05975	8.3
161.13293	7.2
163.07529	10.9
164.08289	15.2
165.06830	4.0
165.12746	11.1
167.08502	4.5
171.07947	3.7
171.11723	9.6
173.11742	5.4
173.13211	5.7
175.07567	8.2
175.14842	5.7
178.28313	4.2
179.07007	5.6
181.04951	5.4
181.06485	7.9
181.12289	6.4
182.07195	4.4
187.07227	5.1
189.05530	7.0
189.09099	15.4
189.11066	6.4
190.09418	5.1
193.06490	5.0
209.05939	5.2
210.06931	5.4
225.09042	10.8
227.07027	13.2
238.06113	4.9
241.19521	7.5
245.41238	4.1
252.07642	6.2
253.08572	11.4
254.09351	4.8
255.06474	8.4
259.20508	25.1
267.10196	4.8
269.07990	7.2
270.08798	7.3
277.21646	63.8
281.08102	5.7
284.10303	5.4
285.07541	11.5
285.11087	8.5
295.09525	5.4
295.22684	13.0
298.08084	4.9
313.07022	29.7
313.10663	83.4
313.14151	8.9
313.24017	7.4
314.10956	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	313.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38795	0.6
55.05508	9.4
55.38705	0.5
56.43680	0.5
57.03437	19.0
57.07074	55.6
58.03764	0.5
59.04991	0.6
66.74593	0.6
67.05504	11.3
67.40700	0.5
69.06700	0.8
69.07063	11.2
69.66803	3.2
71.04977	1.3
71.08630	40.5
72.08961	0.7
77.88115	0.5
79.05490	1.7
81.07053	19.0
83.04974	0.7
83.08617	14.0
85.06534	1.4
85.10179	23.5
89.06036	3.8
93.07034	2.6
95.08609	25.1
97.06526	0.7
97.10164	7.3
99.11726	1.9
103.07577	2.7
105.07027	1.4
107.08587	1.8
109.09408	0.9
109.10152	13.5
109.10878	1.0
109.43902	0.5
111.11717	1.7
113.13261	1.1
114.10310	0.7
117.09144	0.9
119.08549	1.0
121.10114	1.5
123.11713	5.8
125.13249	1.1
131.08606	0.6
135.11655	0.8
137.02299	0.9
137.13274	3.0
145.10173	0.7
158.53722	0.5
161.13176	0.6
163.59213	0.6
181.04953	1.1
182.05232	0.8
221.22621	0.7
239.23715	5.2
257.24731	7.7
260.15283	0.6
270.08823	0.9
281.08093	0.7
304.36710	0.6
313.10623	1.9
313.27365	100.0
313.36710	1.9
314.13870	1.6
314.27734	7.2
314.33939	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58997	5.3
55.05505	10.9
57.03439	27.7
57.07077	88.3
67.05508	14.3
69.07061	6.9
71.08629	41.6
73.65971	5.7
81.07043	21.2
83.08624	13.4
85.10188	29.5
95.08614	33.2
95.60149	5.9
109.10152	12.9
123.11684	7.5
132.57956	6.5
173.11612	6.2
173.92697	5.6
218.53157	5.3
228.88583	7.7
231.70433	5.9
239.23830	7.1
257.24756	12.9
313.15759	11.0
313.27356	100.0
314.27557	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	313.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	14.7
55.61613	2.5
57.03435	21.6
57.07071	75.8
58.10292	2.2
59.09403	1.9
67.05496	19.2
68.44277	2.1
69.03422	1.8
69.07060	15.1
69.51182	13.1
70.32423	1.9
71.08625	46.4
72.08153	3.9
79.05483	4.2
80.42229	2.4
81.07060	23.2
83.04961	3.5
83.08624	13.7
85.06547	3.2
85.10178	23.1
89.06042	2.5
91.05476	5.3
93.07053	4.9
95.08602	36.1
97.06542	2.4
97.07642	2.9
97.10181	7.9
98.22569	2.5
105.07041	4.9
107.08616	6.9
109.10129	15.2
111.11712	4.0
113.61218	2.1
114.10300	4.2
117.06976	2.5
119.08620	4.3
121.10149	4.2
123.11703	3.6
131.08597	2.5
132.11349	2.3
135.11728	3.5
136.06267	2.3
137.02361	3.9
137.05917	2.5
144.90303	2.5
145.10217	3.7
147.11708	3.2
159.11781	3.0
171.11723	2.5
173.13292	2.5
175.14804	3.4
181.04950	4.9
182.05347	7.3
213.16260	2.4
217.47256	2.0
227.18143	2.4
231.83299	2.7
239.23689	3.6
257.15515	2.7
257.24792	4.7
280.06949	2.3
295.24292	3.7
313.07480	2.6
313.10931	9.2
313.15848	8.6
313.21582	7.6
313.27454	100.0
314.14023	3.9
314.27863	8.4
314.33621	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	313.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	15.7
57.03437	27.9
57.07073	87.6
62.06086	2.9
67.05508	21.0
69.07060	17.1
69.16105	2.6
69.16512	11.3
70.01094	1.6
71.04970	2.4
71.08624	52.9
72.08162	2.0
79.05493	4.2
81.07051	27.9
83.08619	17.2
85.10176	27.0
89.06023	4.2
89.48254	1.7
91.05467	3.5
93.07054	5.9
95.08601	39.9
97.07633	1.6
97.10169	9.9
98.22587	3.1
99.11758	3.4
103.07613	1.9
105.07063	2.8
107.08603	7.2
109.10154	18.1
111.11716	2.9
117.06982	1.6
119.08594	4.9
121.10152	4.1
123.11706	10.2
131.08626	1.9
133.10133	2.8
135.11707	1.9
137.13234	2.3
143.08588	1.9
145.10121	2.5
147.11700	1.9
149.13258	1.7
157.10251	1.8
171.11702	2.4
173.13278	2.0
181.04933	2.9
182.05263	3.5
214.13011	1.6
215.17967	1.6
220.34996	1.8
239.23660	4.7
257.24710	7.7
267.21088	2.5
270.08862	2.1
298.08087	2.1
313.10687	9.2
313.15680	3.6
313.21475	2.7
313.27414	100.0
314.13925	3.1
314.27719	5.3
314.34082	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	314.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32920	0.6
53.03941	1.1
55.01861	1.2
56.04568	0.6
57.03431	1.2
61.02934	1.0
62.27532	0.7
69.03429	6.7
70.69624	1.3
71.04985	1.3
73.02872	0.9
73.06158	1.3
73.06555	22.2
79.01840	5.2
81.03412	8.5
84.34784	0.8
84.39380	0.7
85.02907	8.6
85.06550	0.7
89.06028	8.5
97.02888	5.5
98.97594	0.8
99.04487	1.2
107.01292	1.8
109.02886	6.2
117.05466	0.7
117.09138	2.1
124.07561	1.5
125.02331	4.0
127.03912	5.9
134.09668	2.1
135.10170	38.5
136.10515	0.9
138.21640	0.7
143.03391	6.4
145.05020	1.8
152.01666	5.6
152.07031	4.2
152.10724	1.9
153.01831	100.0
153.02899	5.1
164.75479	0.7
171.02849	4.4
192.69348	0.8
232.84630	0.7
296.11533	0.8
297.06024	5.3
314.06833	1.2
314.11258	1.4
314.19394	1.0
315.07507	0.8
315.10495	5.3
315.14096	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	315.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21215	0.2
51.02378	0.6
53.03954	1.2
55.01873	0.7
57.03419	0.8
61.02910	0.6
63.67076	0.2
64.23278	0.2
67.05497	0.3
68.99780	0.3
69.03071	0.4
69.03430	5.5
70.48214	0.4
70.48589	0.4
71.04991	0.6
73.02905	0.2
79.01396	0.2
79.01856	4.4
79.05486	0.4
81.03417	9.9
85.02903	5.2
91.05475	0.3
95.04972	0.2
97.02887	3.7
99.04440	1.0
107.01308	2.3
107.04933	0.4
109.02881	6.7
109.06544	0.3
117.07027	0.3
123.04446	0.4
125.02348	4.4
127.03041	0.4
127.03927	6.1
137.05978	3.9
138.09094	0.2
143.03395	6.1
145.06488	0.4
149.05911	0.3
151.07480	0.3
153.01825	100.0
153.02890	5.5
154.02158	3.1
162.65579	0.2
163.07498	0.5
165.07063	0.2
167.08664	0.3
171.02881	5.2
173.05942	0.2
191.07024	0.3
208.05151	0.6
216.83919	0.2
237.04008	0.2
237.09160	0.2
246.19675	0.2
265.08698	0.3
269.08014	0.4
283.09634	0.3
297.06061	4.6
297.11118	0.4
315.04340	0.3
315.08005	0.9
315.14279	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0706
Annotation	Norbergenin
Peak:m/z	Relative Intensity
51.02388	0.6
51.41147	0.3
53.03937	1.7
55.01865	0.4
57.03431	0.7
69.03423	5.6
70.75815	0.6
71.01337	0.3
71.04986	0.5
71.57873	0.3
76.74271	0.3
79.01849	5.5
81.03415	10.9
81.03892	0.6
83.42030	0.3
85.02905	5.1
97.02885	3.4
99.04456	1.3
107.01315	2.9
109.02166	0.6
109.02865	6.8
125.02325	3.7
127.03909	5.4
133.94620	0.3
135.00735	0.4
143.03386	6.2
153.01817	100.0
153.02887	5.6
154.02167	3.4
171.02887	4.7
297.06015	6.3
298.06549	0.4
307.71759	0.3
315.07288	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01603	0.2
51.02378	0.8
53.03936	0.8
54.78597	0.2
55.01863	0.3
57.03424	0.6
61.02918	0.3
69.03423	4.8
71.04971	0.3
71.37538	0.2
73.18864	0.2
73.35954	0.2
79.01845	4.9
81.03408	8.0
85.02897	5.4
91.05477	0.3
97.02883	3.1
99.04436	0.9
107.01307	2.6
109.02866	5.0
110.23919	0.2
123.00779	0.3
125.02334	4.0
127.03902	4.9
128.04300	0.3
143.03384	6.3
145.04900	0.2
152.06210	0.2
153.01811	100.0
153.02867	4.9
154.02155	2.9
171.02873	5.0
195.02786	0.8
195.08093	0.2
207.92953	0.2
208.05138	0.3
218.95815	0.2
245.91876	0.2
297.06036	3.6
298.06287	0.2
315.07458	1.1
315.12128	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0708
Annotation	Norbergenin
Peak:m/z	Relative Intensity
50.52959	0.2
51.02381	0.5
53.00295	0.2
53.03939	0.8
55.01867	0.4
57.03428	0.7
58.11573	0.2
61.02920	0.4
69.03425	5.4
69.09619	1.6
71.01358	0.2
71.05006	0.4
73.02933	0.3
79.01848	5.6
80.08369	0.2
81.03411	8.0
85.02896	5.5
91.05489	0.4
96.02116	0.2
97.02890	2.6
99.04449	0.6
107.01312	2.8
107.04897	0.3
108.56741	0.2
109.02869	5.4
125.02341	4.3
127.03910	5.9
131.04881	0.2
135.00723	0.2
137.05992	0.4
138.06331	0.2
143.03389	6.7
144.03578	0.2
147.04393	0.2
151.07544	0.4
152.07904	0.3
153.01817	100.0
153.02875	5.4
154.02132	2.6
155.08522	0.2
161.06020	0.2
165.06927	0.2
171.02884	5.1
181.06511	0.2
189.09163	0.2
194.07312	0.4
195.08047	0.2
223.07501	0.3
237.09012	0.3
239.07317	0.2
240.07796	0.2
251.07007	0.2
254.05504	0.2
255.10219	0.2
265.08600	0.5
269.08051	0.3
283.09622	0.8
285.07581	0.2
297.06061	2.8
297.11169	0.3
298.06549	0.3
315.07404	1.0
315.12640	1.0
315.29047	0.2
316.08221	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.3
51.02376	0.9
53.03933	1.3
53.76696	0.2
55.01869	0.8
57.03425	0.9
61.02918	0.4
65.07448	0.2
67.05495	0.4
69.03423	6.2
71.04990	0.7
73.02901	0.4
74.30155	0.2
79.01852	5.7
79.05473	0.8
81.03414	14.1
81.07045	0.4
82.03726	0.3
85.02904	4.8
91.05488	0.6
93.07056	0.4
95.04991	0.4
95.08624	0.4
97.02889	3.8
98.23341	0.5
99.04427	1.0
103.05446	0.5
105.07031	0.9
107.01312	2.4
107.04942	0.7
109.02161	0.5
109.02874	7.3
109.10126	0.3
111.76879	0.2
115.05482	0.3
119.08539	0.4
123.00847	0.3
123.04510	0.2
125.02343	4.3
127.03920	5.7
131.04927	0.6
133.06483	0.4
133.10127	0.3
135.04434	0.3
137.05962	1.4
143.03389	6.7
146.03636	0.3
151.03932	0.6
151.07506	0.3
152.06158	0.6
153.01820	100.0
153.02890	5.7
154.02151	2.6
155.08549	0.3
161.05956	1.9
165.06990	0.9
166.07571	0.3
167.08479	0.6
169.06483	0.3
171.02887	4.5
172.03221	0.3
177.05438	0.3
177.06943	0.7
181.06499	0.4
183.08064	0.5
191.03304	0.4
191.07024	0.4
193.06567	0.4
194.07300	1.1
195.08078	1.9
197.05881	0.4
208.05162	0.6
211.07607	0.5
212.08313	0.4
221.06059	0.4
222.06914	0.6
223.07486	1.3
224.08359	0.4
225.05588	0.3
226.06261	0.4
227.07001	0.4
237.08990	0.5
239.07031	0.5
240.07835	0.8
241.08534	0.6
251.07088	0.6
252.07658	0.3
255.06912	0.2
255.10062	1.9
256.10648	0.3
265.08643	0.4
268.07120	0.4
269.08078	0.7
273.11084	0.3
283.09625	5.7
284.10248	0.7
285.07431	0.4
297.06000	7.9
297.11255	0.5
297.14816	0.5
315.08237	2.0
315.12305	2.8
315.15625	0.6
315.19287	0.3
316.13089	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0709
Annotation	Norbergenin
Peak:m/z	Relative Intensity
51.02372	0.6
53.03945	1.6
55.01864	0.7
55.05527	0.2
57.03430	1.0
57.63663	0.2
61.02908	0.7
64.26547	0.2
69.03431	6.3
69.77012	1.1
71.04988	1.1
73.02912	0.6
79.01852	4.8
79.05489	0.3
81.03416	13.9
81.07028	0.2
85.02901	5.0
91.05489	0.5
97.02891	4.3
99.04463	1.1
105.07015	0.4
107.01311	2.4
109.02879	7.6
114.00019	0.2
119.08572	0.4
121.16445	0.3
123.00797	0.4
125.02348	4.1
127.03914	6.8
135.00774	0.2
137.09622	0.2
143.03401	6.9
145.05011	0.4
145.10152	0.2
147.08080	0.3
153.01828	100.0
154.02170	2.4
161.09654	0.3
163.03911	0.2
165.12808	0.4
171.02872	3.6
173.09499	0.3
191.03505	0.2
237.03992	0.3
297.02643	0.4
297.06046	8.7
298.06430	0.3
315.01523	0.4
315.07059	0.8
315.14218	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.8
53.03933	1.2
55.01871	0.8
55.05499	0.5
57.03421	0.6
59.78088	0.3
67.05506	0.6
69.03431	4.6
69.07738	2.5
69.08138	0.5
72.28004	0.3
73.02908	0.4
79.01857	4.8
79.05482	0.5
81.03418	9.5
81.07049	0.8
85.02901	4.8
91.05486	0.9
95.04958	0.6
95.08604	0.5
97.02895	3.3
98.23445	0.5
99.04464	0.8
101.14098	0.2
102.93256	0.2
103.05466	1.1
105.07037	0.6
107.01319	2.3
107.04957	0.6
107.08570	0.3
109.02879	6.0
109.10140	0.4
117.07014	0.4
121.02864	0.8
121.06487	0.7
123.00815	0.5
125.02346	3.7
127.03909	5.8
128.04378	0.3
131.04927	0.9
133.10092	0.4
135.04387	0.5
135.07990	0.4
137.02345	1.1
137.03485	0.3
137.06003	1.3
141.01863	0.4
143.03401	6.7
149.02370	0.3
149.05949	0.5
150.87347	0.3
151.03944	0.4
153.01823	100.0
153.02884	5.4
154.02155	3.5
158.53735	0.3
161.06006	0.7
163.03944	0.8
163.07523	0.7
165.01874	0.5
165.07082	0.5
167.03352	0.4
171.02881	4.9
178.09889	0.5
179.03371	0.6
183.02890	0.4
187.11217	0.4
191.07115	0.5
195.08049	0.5
199.89894	0.3
223.07457	0.8
239.06956	0.5
240.07938	0.4
247.68021	0.3
255.10123	0.8
261.52023	0.3
267.06479	1.3
269.08115	0.5
269.22598	0.5
272.06815	4.5
273.07468	0.3
283.09525	2.2
287.09149	0.3
297.07333	3.1
300.06232	6.7
301.06516	0.4
315.04938	5.3
315.08585	13.0
315.11948	2.4
315.19254	0.5
316.05530	0.4
316.09003	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	0.2
51.02381	0.6
53.03933	0.7
54.36119	0.2
55.01863	0.4
57.03425	0.6
61.02931	0.4
67.48001	0.1
69.03068	0.2
69.03429	3.8
69.70204	0.9
71.04990	0.4
73.02906	0.2
76.88946	0.1
79.01858	5.0
81.03418	5.9
82.03741	0.2
85.02901	3.2
91.05481	0.4
97.02900	2.7
99.04440	0.6
103.05467	0.4
107.01318	2.0
107.04971	0.3
109.02882	4.1
115.05428	0.2
117.07039	0.3
119.04939	0.2
121.06524	0.2
121.45766	0.2
123.00784	0.2
125.02351	3.6
127.03920	3.8
129.06940	0.2
131.04913	0.6
135.00735	0.2
137.05968	0.5
143.03400	5.8
145.06377	0.2
146.07277	0.5
147.04491	0.2
151.03835	0.1
151.07530	0.5
152.07959	0.2
153.01830	100.0
153.02885	5.1
154.02156	2.7
161.06006	0.3
163.03966	0.3
163.07585	0.4
165.05539	0.3
171.02914	2.5
177.09065	0.3
178.09933	0.5
191.03406	0.2
191.07028	0.4
194.07164	0.3
195.02861	0.3
195.08086	0.2
223.07536	0.2
226.95673	0.2
237.08966	0.3
255.04918	0.3
255.10275	0.2
265.08466	0.3
269.08115	0.2
275.03537	0.2
283.09616	0.4
297.05966	2.4
297.11224	0.4
310.94232	0.2
315.06964	1.1
315.12476	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.4
53.03943	1.0
55.01865	0.4
55.31142	0.2
57.03431	0.7
61.02922	0.5
69.03429	5.6
71.01360	0.3
71.04991	0.3
71.34673	0.6
73.02921	0.3
79.01859	4.9
81.03420	10.4
82.03746	0.2
85.02905	5.0
91.05471	0.3
97.02892	3.5
99.04459	0.8
107.01331	2.6
109.02882	6.3
123.04451	0.3
125.02345	3.6
127.03922	6.2
128.04288	0.2
135.07990	0.3
137.05949	0.3
143.03400	6.7
144.03741	0.2
153.01834	100.0
153.02908	6.0
154.02167	3.0
162.95546	0.2
163.03851	0.4
171.02893	4.7
194.07314	0.2
222.06839	0.3
223.07553	0.3
265.08630	0.5
297.06036	5.5
297.11252	0.6
298.06473	0.3
315.07260	0.9
315.12439	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0858
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
51.37386	0.4
51.58942	0.3
55.05470	0.4
60.04487	0.4
67.05463	0.6
69.17986	1.8
69.18399	1.1
79.05439	0.5
81.07015	0.7
85.98631	0.4
86.82741	0.3
95.08572	0.5
98.97520	0.4
105.07007	0.5
107.08512	0.5
119.08499	0.4
135.11656	0.5
137.05966	0.7
145.10098	0.4
147.11638	0.4
152.06136	0.4
161.05899	1.5
167.03366	1.4
173.05992	0.4
194.07193	0.4
195.07976	0.7
197.14960	0.4
201.05428	0.9
208.05182	0.7
223.07449	0.6
225.05515	0.4
227.06944	0.5
237.09135	0.3
243.06567	3.0
251.07066	0.4
255.06508	0.4
255.10184	0.6
257.04501	2.3
269.08011	0.7
271.05954	1.3
272.06760	45.8
273.07156	2.3
283.09705	3.1
284.10303	0.5
290.05719	0.3
300.06247	59.2
301.06546	3.5
301.09543	0.5
315.08585	100.0
316.08939	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	315.0859
Annotation	Gnaphaliin
Peak:m/z	Relative Intensity
52.41165	0.2
53.03937	0.4
55.01852	0.4
57.03416	0.4
66.86955	0.2
67.01862	0.3
67.05482	0.3
68.99769	0.3
69.03432	1.7
69.04682	1.5
69.05078	0.3
69.07066	0.3
79.01839	1.3
79.05489	0.5
81.03414	2.6
81.07043	0.5
85.02921	1.5
91.05471	0.6
93.07026	0.7
95.04981	0.3
95.08620	0.4
97.02897	1.2
99.04446	0.2
100.07632	0.4
103.05460	1.1
105.07021	0.6
107.01302	0.8
107.04962	0.5
107.08586	0.5
109.02872	2.1
115.05418	0.2
117.07009	0.4
119.07719	0.2
119.08537	0.3
121.06502	0.2
121.10138	0.2
123.04424	0.3
124.01571	0.2
125.02334	1.2
127.03893	1.6
131.04929	1.1
131.08542	0.3
133.06490	0.2
137.02332	0.3
137.05925	1.1
143.03375	2.0
145.06473	0.3
146.03604	0.3
147.04422	0.4
149.05992	0.4
151.03897	0.4
151.07552	0.5
152.06206	0.3
153.01817	29.9
153.02888	1.6
154.02194	0.4
161.06001	1.1
163.03870	0.2
163.07515	1.4
164.08229	0.3
165.01791	0.2
165.05524	0.4
165.06940	0.4
167.03456	0.2
167.08543	0.2
171.02919	1.6
177.05464	0.2
178.02609	0.5
181.06424	0.2
183.08057	0.3
191.03397	0.3
191.07034	0.6
194.07275	0.4
195.08003	0.5
197.06012	0.3
198.06638	0.3
199.71225	0.2
201.05452	0.2
205.06543	0.3
222.06720	0.3
223.07532	0.6
225.05391	0.4
226.06245	0.4
236.04620	0.2
237.05479	0.3
237.09094	0.4
239.06923	0.4
240.07732	0.3
242.03526	0.4
242.05734	3.8
243.06412	0.6
245.04500	0.3
245.61330	0.2
251.06969	0.4
253.04880	1.1
254.05724	2.2
254.09410	0.4
255.06468	0.4
255.10124	0.9
257.04416	0.8
257.08276	0.3
265.08530	0.5
268.07208	0.2
269.04443	0.8
269.07901	0.3
270.05157	1.2
271.06000	14.4
272.06708	5.5
273.04135	0.2
273.07196	0.3
282.81180	0.2
283.06262	0.4
283.09637	2.0
284.10202	0.4
285.03976	2.2
286.04684	4.2
287.04913	0.5
297.03470	1.7
297.06720	0.4
297.11285	0.4
298.04022	0.2
299.05478	54.0
300.06180	15.6
300.09055	0.3
301.03476	0.4
301.06583	0.7
315.08594	100.0
316.05603	0.9
316.08936	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	315.0862
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
53.03957	0.2
55.01888	0.2
55.05515	0.4
59.56269	0.2
67.05481	0.3
68.99821	0.2
69.03442	0.3
69.07090	0.3
69.65246	0.4
69.65636	0.4
76.72672	0.2
78.29263	0.2
79.05524	0.2
81.03411	0.2
81.07072	0.5
83.04992	0.2
85.02915	0.3
91.05495	0.3
93.07063	0.3
95.04969	0.2
95.08640	0.3
97.06528	0.2
102.04666	0.2
103.05485	0.5
105.07034	0.4
107.04994	0.2
109.10223	0.2
113.06023	0.2
115.23117	0.2
117.07076	0.3
119.04951	0.3
119.08595	0.3
121.02882	0.2
121.10150	0.2
123.04436	0.2
128.06274	0.2
131.04948	0.4
135.08083	0.2
137.02377	0.2
137.06007	0.9
143.03412	0.2
145.06500	0.2
147.08015	0.2
149.06015	0.4
151.03911	1.0
151.07564	0.3
153.01816	3.3
161.06049	0.7
163.03952	0.3
163.07587	0.5
165.06979	0.2
167.03432	0.7
178.02715	0.2
194.07347	0.2
195.08031	0.3
197.05881	0.2
199.14827	0.2
208.05154	0.2
209.09586	0.2
222.06720	0.2
223.07504	0.2
225.05479	0.3
242.05713	2.9
243.06456	1.5
244.07132	0.2
253.05003	0.8
254.05820	1.4
255.06506	0.4
255.10161	0.4
257.04532	0.3
269.04510	0.7
270.05212	0.4
271.03638	0.2
271.06009	11.6
272.06775	18.1
273.07047	1.3
283.06409	0.4
283.09677	1.1
285.03891	1.9
285.06805	0.3
286.04669	3.4
286.07819	0.3
297.03882	1.7
299.05496	41.1
300.06250	30.3
301.06537	1.6
315.08603	100.0
316.08966	6.9
316.11929	0.1
320.43350	0.2
333.97302	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0862
Annotation	3,7-Dihydroxy-3',4'-dimethoxyflavone
Peak:m/z	Relative Intensity
50.43042	0.2
55.01862	0.2
55.05489	0.4
56.63998	0.2
65.03910	0.8
65.51588	0.2
67.05460	0.6
68.05869	0.2
68.99791	0.4
69.03419	0.4
69.07066	0.3
79.05452	0.7
81.07018	0.6
83.04934	0.2
84.02092	0.2
87.04420	0.2
91.05444	0.7
93.07037	0.9
95.01300	0.3
95.04930	0.3
95.08554	0.6
97.02896	0.2
99.00780	0.8
103.05446	0.9
105.07036	1.1
107.04906	0.2
107.08606	0.8
109.06499	0.2
109.10107	0.6
111.04424	0.3
112.01587	0.4
118.04144	0.2
119.08533	0.6
121.06485	0.5
121.10123	2.3
123.00792	1.0
123.04382	0.3
123.08076	0.3
125.05979	0.2
125.09621	0.3
127.00283	1.3
131.04944	0.4
131.08575	0.3
132.05693	0.5
133.06485	2.7
133.10075	0.5
135.04407	2.5
135.08080	0.2
137.05959	1.1
137.09598	0.2
140.01003	0.7
142.07808	0.3
145.06427	0.3
145.10129	0.3
148.05165	0.2
149.05893	0.3
151.03900	0.3
151.07503	0.2
152.06104	0.2
153.01801	1.2
153.05365	0.2
154.99702	0.3
157.10089	1.4
159.11632	0.3
161.05914	0.5
163.03824	0.3
163.07506	0.8
167.03345	0.5
167.08488	0.2
167.10699	0.4
168.00540	9.5
169.00906	0.3
175.11119	0.4
177.05388	0.2
179.03397	0.3
180.04117	0.2
181.04909	0.4
183.02873	1.0
185.13432	0.2
186.01593	3.8
187.01855	0.2
195.08066	0.3
195.10254	0.3
197.04440	0.2
198.06808	0.3
199.14839	1.8
201.05336	0.2
201.12857	0.2
205.12161	0.3
207.02911	0.2
207.09953	0.2
211.04504	0.2
217.15878	0.5
218.08778	0.2
223.05922	1.5
226.06163	0.3
227.07036	0.2
227.14296	0.6
229.04961	1.6
233.11687	0.3
240.08046	0.2
243.06625	0.4
244.07268	0.3
245.15379	1.6
255.10197	0.2
257.04468	1.9
269.08643	0.4
271.05963	0.3
272.06769	11.8
273.07227	0.7
283.06042	0.6
283.09692	0.9
285.04053	0.4
287.09393	0.2
292.10303	0.3
297.18396	0.2
299.05527	0.7
300.06262	31.7
301.06577	2.0
315.08597	100.0
315.19202	3.4
316.08966	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	315.0862
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
51.02371	0.3
53.03943	0.7
55.01877	0.3
55.05509	0.2
56.64255	0.2
57.03435	0.4
57.54118	0.2
61.02929	0.2
63.06692	0.2
67.05507	0.2
68.99803	0.2
69.03435	1.7
69.10225	0.3
69.10624	1.2
71.04989	0.3
79.01859	1.6
79.05511	0.4
81.03427	3.5
81.07059	0.2
85.02914	1.4
91.05480	0.4
93.07059	0.2
95.04986	0.4
97.02895	1.1
98.23338	0.3
99.04489	0.3
103.05473	12.7
104.05797	0.3
105.07066	0.4
107.01313	0.7
107.04946	1.5
107.08591	0.2
109.02879	2.1
115.05445	0.4
117.07023	0.4
119.04897	0.2
121.06496	0.3
122.03652	0.4
123.04435	0.5
125.02357	1.3
127.03907	1.8
131.04935	8.3
131.08540	0.2
132.05321	0.2
133.06502	0.3
133.10153	0.2
135.04414	0.3
135.08089	0.3
137.02298	0.2
137.05989	3.1
143.03412	1.9
145.06464	0.4
147.04485	0.2
148.05217	0.4
149.06013	1.2
151.03943	0.3
151.07532	0.5
153.01834	28.5
153.02914	1.7
153.05470	0.7
154.02155	0.9
157.31793	0.2
159.04471	0.9
161.05922	0.2
163.04013	0.2
163.07553	3.0
164.08319	1.3
165.05472	0.5
165.06781	0.2
166.02287	0.2
167.03400	1.7
167.08517	0.2
171.02853	1.5
173.05991	0.3
174.68758	0.2
175.04051	0.3
175.07547	0.3
179.07039	1.8
183.08006	0.2
189.09109	0.2
191.07059	0.9
195.08058	0.6
197.06093	0.2
198.06786	0.2
201.05440	0.7
211.03862	0.2
212.08258	0.2
217.04945	0.3
223.07498	0.6
223.65344	0.2
227.07024	0.4
227.10612	0.3
229.04854	0.5
237.08978	0.2
241.08458	0.2
243.06511	2.7
244.07031	0.4
251.06773	0.2
254.05959	0.2
255.10162	0.7
257.04489	2.0
257.07440	0.2
271.06024	1.2
272.06796	49.6
273.07120	3.1
273.10046	0.2
273.11230	0.2
276.95294	0.2
283.06461	0.4
283.09680	1.4
285.03757	0.4
297.05920	1.7
297.11249	0.6
300.06293	59.8
301.06604	4.1
315.08630	100.0
316.05313	0.3
316.08987	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	315.0861
Annotation	KOPARIN 2'-METHYL ETHER
Peak:m/z	Relative Intensity
51.02365	0.2
53.03949	0.4
54.68369	0.1
55.01865	0.2
55.05507	0.2
57.03416	0.2
65.03928	0.3
67.05489	0.3
69.03426	1.1
69.28038	1.0
70.99382	0.2
71.04982	0.1
79.01851	0.6
79.05495	0.8
81.03413	1.4
81.07054	0.3
83.01339	1.7
83.04999	0.2
85.02895	0.7
91.05476	0.6
93.07062	0.3
95.04968	0.5
95.08582	0.2
97.02872	0.6
97.06522	0.2
97.10233	0.1
99.04466	0.3
103.05473	0.5
105.03382	0.7
105.04449	0.2
105.07019	0.4
107.01279	0.4
107.04943	1.1
107.08577	0.3
109.02887	0.7
109.06519	0.9
111.04439	0.4
117.07033	0.4
119.04919	0.5
119.08598	0.2
121.02867	6.5
121.03927	0.4
121.06491	0.3
121.10165	0.2
123.04446	0.3
125.02355	0.3
125.05994	0.3
127.03899	0.8
129.07011	0.2
131.04916	0.4
131.08553	0.3
133.02832	0.4
133.06516	0.2
133.10054	0.2
135.04398	0.6
137.02382	0.2
137.05966	1.7
138.06358	0.3
139.06532	0.2
141.07031	0.2
142.07837	0.2
143.03421	0.9
145.06453	0.4
147.04422	1.1
149.06006	0.5
151.03915	1.0
151.07539	0.5
152.06148	0.3
153.01826	13.4
153.02885	0.6
153.05446	0.4
154.02162	0.3
157.06500	0.5
157.10146	0.3
161.06033	0.7
163.03925	0.2
163.07626	0.7
165.05482	1.0
165.06966	0.4
166.07831	0.2
167.03372	0.7
167.08582	0.6
168.00520	0.2
169.06436	0.2
170.07286	0.2
171.02919	0.7
175.03860	0.3
175.07532	0.3
177.05432	0.2
177.06960	0.3
179.03416	0.3
181.04964	7.5
181.06386	0.4
182.05284	0.3
182.07233	0.3
183.08087	0.2
185.05943	0.2
185.09619	0.6
191.06999	0.3
193.04971	3.4
194.05495	0.2
194.07291	0.2
195.08038	1.2
197.04430	0.2
197.06020	0.3
198.06726	0.9
199.07387	0.2
210.25284	0.1
211.07576	0.3
213.05592	0.2
213.09135	0.8
215.07210	0.1
223.07503	0.7
224.08638	0.2
225.05640	0.2
226.06258	0.5
227.07077	0.3
239.06960	0.4
240.07794	0.5
241.08595	1.7
241.12321	0.2
243.06496	0.4
243.09999	0.2
244.07375	0.7
251.06976	0.3
255.10219	0.4
256.07428	0.2
257.08176	0.4
259.06635	0.2
259.09674	0.5
269.08057	1.3
269.10956	0.2
269.11856	0.1
270.08618	0.3
272.06754	0.9
283.06454	0.3
283.09579	1.2
284.10489	0.2
285.07605	0.2
286.08353	1.8
287.09079	1.0
297.06247	0.5
299.05484	0.3
300.06311	1.5
313.07043	1.7
314.07315	0.3
315.08609	100.0
316.08966	6.0
316.11917	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	315.1049
Annotation	S,S,S,-TRIBUTYLPHOSPHOROTRITHIOATE
Peak:m/z	Relative Intensity
69.03420	0.8
69.69650	0.6
69.70064	1.0
69.90815	0.3
71.72337	0.3
73.69941	0.3
79.01846	0.7
79.47192	0.3
80.94334	0.3
81.03416	1.3
85.02911	0.7
97.02899	0.6
99.04429	0.3
109.02896	0.6
111.01637	0.3
125.02336	0.6
127.03940	0.6
143.03407	0.3
143.77460	0.3
153.01823	11.4
153.02884	0.7
153.05231	0.7
153.06549	0.3
157.94325	0.3
159.39676	0.3
185.04202	0.7
202.36932	0.3
203.05254	0.8
297.05905	0.7
315.10477	100.0
316.10764	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	315.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.4
52.55746	0.4
53.03941	0.7
55.43048	0.4
58.82682	0.5
69.03428	2.4
69.73553	2.4
69.88126	0.5
79.01830	2.4
81.03407	4.2
85.02893	2.1
97.02876	1.5
99.04465	0.5
107.01321	0.9
108.83723	0.4
109.02888	2.7
110.98414	0.5
117.01006	0.5
125.02337	1.5
126.76575	0.4
127.03894	2.0
137.05956	0.4
140.23988	0.4
143.03378	3.1
153.01823	40.3
153.02907	2.2
154.02116	1.6
171.02901	2.1
225.05261	0.5
249.74869	0.4
297.06015	1.7
315.14111	100.0
315.58759	0.5
316.14435	5.6
316.17572	0.7
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
53.03939	4.1
55.01852	5.8
55.05495	13.6
67.01867	4.2
67.05502	21.9
69.03386	5.6
69.07061	17.0
69.55401	19.4
69.55817	10.7
72.43120	3.9
79.05502	30.2
81.07038	32.2
83.08612	14.1
85.02925	4.6
91.05463	15.7
93.07034	18.5
95.04964	6.8
95.08604	58.1
97.06558	10.1
103.05443	8.0
105.07018	19.1
107.08595	5.5
109.10146	11.5
111.08054	6.2
116.98661	6.2
119.08592	14.3
121.06420	7.4
121.10079	4.5
123.08055	52.3
125.05984	70.3
131.04887	10.5
133.06541	5.7
137.05937	13.3
137.09596	18.9
139.07516	13.3
141.09087	20.2
143.07011	11.3
143.08553	5.1
146.03595	5.5
151.07433	5.0
152.06146	7.7
153.01839	48.7
153.02943	8.1
155.10675	12.0
157.10107	4.8
161.05981	31.8
165.06941	9.9
166.07813	10.3
167.08569	7.3
177.07021	10.3
180.05579	5.8
187.09634	18.6
194.07298	5.9
195.08060	31.3
197.05940	6.9
197.29546	4.3
208.05220	7.7
222.06659	10.7
223.07504	34.6
225.05405	8.7
237.09256	6.9
239.07114	7.6
240.07819	15.2
241.08566	6.4
251.07095	9.7
252.07652	4.7
254.09457	5.3
255.10187	37.6
265.08478	9.7
268.07242	4.8
269.07922	13.1
272.06808	9.5
279.15793	10.1
283.09650	100.0
284.10193	12.1
300.06302	10.5
315.08456	38.8
315.12177	41.2
315.19852	4.5
333.08453	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	315.1955
Annotation	Mitrekaurenone
Peak:m/z	Relative Intensity
51.10206	0.9
53.03944	1.4
53.37072	0.8
55.01862	1.8
55.05512	4.4
56.96545	1.4
57.07080	6.0
59.04994	2.2
59.35051	0.9
60.04506	2.1
65.03944	1.2
67.05508	8.8
69.03418	4.9
69.07047	4.7
70.06574	3.1
71.04973	1.5
71.08623	1.5
71.65006	1.0
79.05489	10.9
81.07049	14.8
83.04970	1.8
83.08617	3.1
85.06532	3.1
85.10156	1.5
88.07638	5.2
91.05467	11.3
93.07039	20.7
94.50078	0.9
95.04957	3.4
95.08606	16.2
97.06541	5.6
97.10156	1.1
99.04426	1.0
103.05437	7.7
105.07030	23.1
106.08643	5.4
107.04938	2.6
107.08590	27.1
109.06524	5.5
109.10148	12.5
111.04459	1.3
111.08054	4.3
115.05427	2.2
117.07001	3.2
119.04917	1.3
119.08582	12.3
121.06500	5.7
121.10138	55.8
122.03627	1.9
122.10472	2.3
123.04438	1.1
123.08068	4.4
123.11683	2.7
125.05984	3.1
125.09616	4.0
127.11129	1.0
128.06210	2.3
129.07010	3.1
131.04915	4.4
131.08557	7.6
133.06528	2.3
133.07541	2.0
133.10130	15.1
134.59175	0.9
135.04385	1.1
135.08072	5.3
135.11703	3.1
137.05965	8.9
137.09590	4.2
139.07483	2.4
139.11153	2.8
141.07027	1.7
142.07750	7.3
143.08568	7.2
144.09291	1.8
145.06435	2.0
145.10146	6.9
147.08051	4.3
147.11742	5.2
149.05966	3.7
149.09612	4.6
151.07524	1.1
151.11223	1.7
152.06158	2.6
153.01822	4.2
153.06938	1.4
153.09094	2.5
155.08585	1.4
156.09329	2.3
157.10117	27.7
159.11688	11.6
161.05971	1.7
161.09589	6.4
161.13200	1.0
162.09952	1.1
163.07526	11.7
165.07013	3.1
167.03415	1.6
167.08516	2.6
167.10663	6.8
169.06473	3.4
169.10080	2.9
170.10876	1.3
171.08031	1.5
171.11656	5.9
173.09607	2.7
173.11775	1.4
173.13258	1.4
175.07622	0.9
175.11203	10.6
177.09068	1.8
177.12672	1.1
179.08549	1.7
179.10634	2.1
180.05650	1.5
181.06467	3.0
183.08037	1.3
183.11658	2.2
184.12514	1.8
185.09613	3.3
185.13284	2.5
187.07622	1.1
187.11198	3.1
189.09122	2.3
189.12689	1.5
189.16344	2.1
193.10252	1.0
193.12218	1.2
194.07190	1.2
195.08066	5.4
195.10178	4.3
195.11787	1.3
197.05988	3.0
197.09502	1.2
197.13258	1.6
199.14809	38.6
200.15256	2.2
201.12798	1.1
201.16383	1.4
203.10611	1.4
205.12187	6.4
207.10164	3.2
208.12390	0.9
209.05869	1.5
209.11557	1.4
209.13298	2.7
211.07393	1.8
211.14809	1.5
212.08316	2.9
213.05519	1.0
213.09148	1.3
213.12724	3.5
215.06819	1.0
215.10768	1.0
217.15872	14.3
219.09947	1.0
219.13748	1.1
221.11563	1.8
221.13467	1.0
223.07582	4.8
223.14867	1.2
224.08148	1.3
225.05420	2.8
227.07022	1.2
227.14311	14.6
227.17857	1.3
228.15022	1.2
229.08618	1.9
231.13844	2.4
233.11749	6.5
235.13301	2.7
239.40361	0.9
240.07805	6.8
240.15051	1.0
241.08533	3.4
241.19597	1.1
243.06453	1.6
244.07309	2.0
245.15367	40.1
246.15715	2.2
251.18028	2.9
253.19572	1.4
255.06340	1.4
255.10162	6.7
257.08023	2.0
259.13226	3.9
269.08017	2.0
269.10992	1.3
269.19006	10.0
269.22574	2.6
272.06711	6.1
272.09586	1.9
273.14868	5.6
283.06668	1.0
283.09613	4.7
287.20071	3.8
297.18433	3.5
300.06284	8.1
300.09424	1.9
301.06580	1.2
315.08557	38.9
315.12125	24.4
315.16296	3.9
315.19516	100.0
315.22891	5.1
316.08859	2.8
316.12631	2.6
316.19922	8.2
316.28769	1.2
316.32074	21.4
316.35504	1.9
323.24835	1.0
333.17355	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	315.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01019	1.8
55.01875	2.7
55.05508	26.2
57.03426	2.9
58.90095	1.8
67.05500	40.6
69.03420	3.4
69.07064	13.2
69.60403	6.7
69.60817	3.6
70.06569	3.2
71.04989	6.0
74.79848	1.7
75.76279	1.9
79.05485	14.9
79.40074	1.8
81.07049	20.3
83.08620	27.7
85.06538	1.8
87.04462	23.0
88.07653	5.6
91.05482	4.1
93.07048	8.9
95.08595	27.3
97.06503	2.2
97.10167	30.5
97.10748	3.4
105.07050	4.0
107.08587	12.6
109.06472	3.3
109.10153	100.0
113.09640	1.9
117.07030	3.4
119.08598	4.5
121.10172	2.1
123.08050	2.6
123.11712	2.6
125.09628	22.5
127.11182	51.3
131.08572	3.2
133.10139	3.6
135.04349	1.8
135.08084	2.8
135.41161	1.8
136.16393	1.7
137.06012	5.6
137.09613	3.6
141.08847	1.7
143.10654	3.5
145.10152	2.2
145.12300	2.4
147.11716	1.7
151.11198	2.9
152.06190	2.6
153.09100	11.7
161.05974	4.1
162.23477	1.9
165.06921	2.2
169.12253	2.9
170.28084	1.9
171.10220	5.0
173.11755	7.4
173.13170	2.0
187.13292	5.4
189.11232	32.7
191.06972	2.0
195.08066	5.0
215.17929	2.2
223.07516	4.0
229.05025	4.3
237.18388	2.4
251.06950	2.2
251.20074	5.1
255.09930	10.2
256.26370	10.1
257.04376	3.2
261.18472	5.4
279.19537	8.3
279.23093	2.1
283.09622	17.0
284.10184	2.9
285.04108	3.0
297.20602	7.6
299.05527	6.0
300.06241	27.1
301.06784	3.1
315.08569	29.0
315.12177	9.0
315.19431	3.8
315.23184	3.3
315.27155	2.9
316.08835	2.5
316.28452	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	315.2317
Annotation	Cannabichromene
Peak:m/z	Relative Intensity
53.03935	0.9
53.60765	0.9
55.05511	11.1
57.07074	14.8
59.70086	0.9
60.54308	1.0
66.73608	1.0
67.05515	6.0
69.07064	70.5
69.24907	9.1
70.07357	1.1
71.08643	2.3
79.05482	7.0
81.07052	16.2
83.08614	14.5
91.05463	7.7
93.06501	1.8
93.07042	19.8
95.08595	12.9
97.02911	2.1
97.10203	1.1
105.07017	10.1
107.08584	16.1
109.02837	1.7
109.10149	4.0
117.07018	4.4
119.08580	7.2
121.10155	8.5
123.11721	2.5
128.06178	1.9
129.06996	2.6
131.08546	8.0
133.06485	2.7
133.10114	5.0
135.08017	1.2
135.11691	3.7
137.06017	2.3
143.08559	7.8
145.06520	1.3
145.10118	6.8
147.08018	1.6
147.11734	5.7
149.13231	14.5
151.08571	1.0
157.10126	5.6
159.08102	1.4
159.11633	1.7
161.05936	1.5
161.13232	2.2
163.07547	1.5
163.14822	3.0
169.10104	1.2
171.08098	1.4
171.11699	3.7
173.09602	4.8
173.13184	1.3
185.09718	1.6
185.13231	3.0
189.09093	1.2
191.10681	3.1
199.14876	2.8
220.11223	1.1
227.14288	2.6
231.13884	1.8
245.15381	1.4
269.22617	1.7
276.64944	1.1
315.23172	100.0
316.23386	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	315.2528
Annotation	9,10-DHOME
Peak:m/z	Relative Intensity
55.01852	3.7
55.05510	22.0
57.07064	5.6
60.04541	3.9
61.33477	3.2
67.05150	5.6
67.05505	77.1
69.07060	35.2
69.20692	18.2
69.21111	9.1
71.04995	12.2
78.73511	3.0
79.05494	28.8
81.07053	100.0
83.04984	5.2
83.08620	19.4
85.06544	11.0
87.04460	20.9
88.07584	4.8
91.05470	16.8
93.07041	30.9
95.04972	4.1
95.08596	93.4
97.06548	6.5
97.10172	9.0
99.08089	4.9
102.09196	3.4
105.07018	13.7
107.08591	24.6
109.10143	47.1
111.11652	3.7
112.48264	3.0
119.08573	15.8
121.10148	24.4
123.11716	21.1
124.38193	3.4
125.09616	5.6
131.08578	11.1
133.10153	10.4
135.11688	17.1
137.13226	5.0
140.96144	3.7
143.08479	3.8
145.10081	8.0
147.11676	7.7
149.09669	4.7
149.13275	6.8
159.11653	7.3
161.13293	9.8
163.14813	3.5
165.12860	4.8
173.13287	6.4
177.16460	4.3
179.14326	5.6
187.14952	4.4
195.91040	3.6
204.04239	10.1
213.19197	3.5
232.03590	3.8
243.21188	9.9
247.05913	8.9
256.26440	4.5
261.22116	27.0
279.20459	5.6
279.23221	60.2
283.09726	6.2
297.24277	5.2
315.23083	5.6
316.28470	12.8
320.29355	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	316.0816
Annotation	CHEBI:90701
Peak:m/z	Relative Intensity
53.33658	0.2
69.03408	0.6
70.02928	0.3
70.40685	0.4
70.41020	0.3
75.90734	0.2
80.02157	0.2
81.03405	0.9
82.03738	0.4
85.02892	0.4
86.09676	0.3
91.05487	0.4
97.02854	0.3
109.02852	0.7
121.06482	0.3
123.04369	0.3
125.02314	0.3
126.02643	0.3
135.03159	0.3
137.02342	0.8
137.05966	0.7
143.03375	0.3
144.03696	0.3
153.00607	0.4
153.01820	5.1
153.02954	0.4
154.02162	5.6
154.03366	0.5
165.01927	0.2
171.02956	0.2
175.07622	0.3
188.07053	0.3
192.03000	0.2
199.06250	1.2
200.04688	3.2
200.06567	0.4
203.05733	1.1
216.06601	0.5
217.07439	0.5
227.05771	1.9
228.04152	5.5
228.06541	8.8
229.04872	0.2
229.06932	0.4
239.07085	0.3
244.06032	7.7
245.06696	1.7
249.29201	0.2
255.05154	0.5
256.03595	1.7
256.06046	3.3
257.04160	0.3
272.05566	2.6
273.06308	9.3
274.06647	0.5
284.05502	1.3
298.06522	0.5
300.04999	17.8
301.05771	31.5
302.06595	1.4
316.08127	100.0
317.08774	5.5
317.13690	0.4
317.46692	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0633
Annotation	(-)-Arborescidine B
Peak:m/z	Relative Intensity
68.52328	5.6
69.03432	12.1
70.82941	13.5
78.95837	4.9
81.61722	5.1
85.02914	17.7
85.17412	5.1
97.02885	7.3
98.97601	7.9
101.00874	10.4
113.00822	6.8
119.01890	15.9
131.01923	11.6
131.26900	5.6
154.94099	5.7
155.04680	16.4
157.03378	6.1
161.03003	9.7
173.02995	11.8
207.03448	11.5
215.07684	6.4
219.01648	8.9
227.06886	11.8
236.07251	8.9
257.01520	14.6
309.08508	7.3
317.06281	100.0
317.09613	9.0
318.09644	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0654
Annotation	Quercetin 3-methyl ether
Peak:m/z	Relative Intensity
53.04532	0.2
55.01907	0.2
55.48826	0.3
57.67298	0.2
65.03993	0.3
66.01103	0.4
68.99824	0.4
70.88772	0.2
70.89091	0.4
78.01112	0.2
81.03447	0.4
88.26983	0.2
91.05537	0.3
92.02652	0.5
93.03456	0.2
95.05018	0.2
107.05015	0.5
109.10181	0.3
110.03647	2.5
121.02931	0.5
121.06537	0.3
123.04463	0.5
126.03210	0.3
133.10236	0.3
135.04404	0.5
136.01576	0.3
137.02339	3.9
137.03319	0.3
137.05957	1.1
139.03967	0.5
145.02890	0.4
147.04453	0.3
149.02281	0.3
150.03209	0.4
151.03954	0.4
151.07507	0.3
153.01814	2.7
163.03914	1.1
165.01921	0.4
165.05521	0.3
166.02663	0.3
167.03468	0.6
171.04399	0.3
173.02422	0.4
175.07520	0.2
179.03484	0.3
183.02956	0.3
190.02747	0.3
193.01369	0.8
193.04956	0.3
193.06558	0.3
198.49736	0.2
200.04657	1.9
201.01848	1.0
201.05365	0.3
203.03488	0.5
204.04152	1.2
206.05797	0.3
210.01729	0.3
215.03554	0.5
217.04987	0.8
218.02193	0.3
218.05786	1.2
228.04152	5.9
229.01414	0.5
229.04980	3.3
231.02783	0.5
233.08080	7.5
234.08498	0.5
239.07161	0.3
243.06523	0.3
245.04437	3.2
246.01544	0.4
246.05193	0.5
256.03671	0.9
257.00839	2.4
257.04407	2.1
267.06470	0.4
271.05984	0.3
271.09479	0.2
273.03888	2.0
274.04678	7.4
275.05130	0.3
285.00311	2.1
285.03958	2.5
288.02686	0.3
299.05768	0.4
299.09183	1.6
301.03406	22.2
302.04166	42.9
303.01236	0.3
303.04526	2.3
317.03113	5.6
317.06512	100.0
318.06870	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.5
55.05494	0.4
63.18285	0.3
64.96974	0.3
67.05474	0.4
71.34336	0.6
77.35268	0.4
79.05504	0.6
81.07045	0.4
86.49236	0.3
91.05474	0.9
93.07041	0.6
95.04974	0.4
103.05449	2.2
105.07028	0.6
107.04928	0.5
107.08621	0.4
109.06522	0.4
110.03630	0.3
113.58340	0.3
119.04889	0.4
119.08567	0.5
121.06501	0.5
123.04462	0.5
131.04906	1.0
133.02869	0.4
133.06516	0.3
135.04428	0.3
137.02303	1.0
137.05975	2.2
139.03954	0.4
147.04411	0.6
149.05962	0.8
151.03951	0.5
153.01805	3.2
153.05444	0.3
161.05914	0.5
163.03883	0.7
163.07492	0.8
164.08394	0.5
165.05490	1.0
165.06831	0.3
165.09296	0.3
167.03444	0.5
167.07024	0.4
175.03906	0.7
178.06287	0.3
179.03342	0.3
189.05460	0.3
192.04085	0.9
193.04951	0.5
197.05898	0.4
198.15033	0.3
200.04652	0.7
203.03310	2.1
204.04199	0.4
217.05017	1.3
218.05696	0.3
221.05960	0.3
226.47343	0.3
227.06946	0.3
228.04211	3.7
229.04886	1.2
243.06532	0.4
245.04448	1.2
256.03629	0.5
257.04489	0.6
257.08081	0.5
267.06674	0.3
273.03897	3.2
274.04706	57.7
275.05087	3.1
275.09268	0.3
285.03848	0.5
299.09103	3.8
299.88287	0.3
301.03448	3.9
302.04190	100.0
303.04553	6.0
317.06534	98.9
318.06873	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	317.0656
Annotation	Quercetin 3-methyl ether
Peak:m/z	Relative Intensity
52.35033	0.2
55.01865	0.3
66.01059	0.6
67.61670	0.2
68.99789	0.4
71.57964	0.2
77.35251	0.3
78.01060	0.6
79.70860	0.2
86.71393	0.2
91.05450	0.3
92.02600	0.6
92.68996	0.2
95.04977	0.2
103.05460	0.9
105.07010	0.5
107.04940	0.2
107.08631	0.2
108.02078	0.3
109.02892	0.2
110.03652	2.9
121.02844	0.4
121.06489	0.3
130.35744	0.2
131.04941	0.5
136.01534	0.3
137.01286	0.3
137.02333	5.3
137.05948	0.7
138.23741	0.2
149.05974	0.4
150.03110	0.6
153.01808	3.2
161.05968	0.3
163.03888	0.4
163.07425	0.3
165.01891	0.6
166.02660	0.3
171.39752	0.3
181.06392	0.3
186.03014	0.2
192.04288	0.3
193.01282	1.0
193.04973	0.3
200.04678	2.4
201.05373	0.2
203.03404	0.6
204.04121	1.1
205.04953	0.2
207.64874	0.3
211.07526	0.4
215.03441	0.4
217.04997	0.8
218.05673	0.4
226.11827	0.2
227.03452	0.4
227.06985	0.2
228.04152	8.2
229.04924	4.4
231.02806	0.4
245.04430	3.4
246.05161	0.7
256.03650	1.3
257.04398	3.0
271.05954	0.2
273.03848	2.2
274.04694	9.8
275.05035	0.7
285.03891	3.2
286.04224	0.3
288.02628	0.3
299.09183	1.2
301.03403	30.7
302.04172	91.0
303.04498	5.5
317.06522	100.0
318.06876	6.7
318.10623	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0656
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
51.12709	0.1
53.03948	0.2
55.01878	0.2
65.03938	1.0
67.01846	0.2
67.05506	0.3
68.99775	0.9
69.03417	0.2
70.65849	0.2
79.05503	0.2
81.03413	0.7
81.07054	1.6
83.01350	0.5
83.04955	0.2
85.02890	0.3
86.81446	0.1
91.05481	0.2
92.02623	2.9
93.02914	0.1
93.03404	2.9
93.07022	0.1
94.04185	0.2
95.01337	0.1
95.04964	0.6
95.08591	0.2
97.02892	0.2
103.05469	0.4
105.03387	0.2
105.07047	0.2
107.04958	0.2
109.02905	0.5
109.10121	0.1
111.00777	0.5
111.04441	0.1
115.05450	0.2
119.08636	0.1
120.02111	0.2
121.02866	2.7
121.06501	0.1
122.03627	0.3
123.04439	0.8
125.02379	0.3
126.03139	1.1
127.03918	0.1
127.86106	0.1
129.07033	0.1
131.04912	0.3
131.08586	0.1
133.02847	0.2
135.04413	0.2
137.01294	0.2
137.02353	2.6
137.03362	0.2
137.05981	0.4
137.13284	0.5
139.03911	1.0
141.05472	0.2
141.06944	0.2
145.06497	0.3
147.04385	0.2
149.02333	0.4
150.03136	0.1
151.03903	1.9
151.05025	0.2
151.07533	0.1
152.01073	0.2
153.01825	15.5
154.02127	0.5
155.04872	0.1
159.08028	0.1
161.05968	0.2
163.03899	0.9
164.08224	0.2
165.01839	1.1
165.05553	0.2
166.02666	0.2
167.02034	0.2
167.03398	3.6
168.03792	0.2
169.06467	0.3
170.02122	0.2
173.06003	0.6
175.03867	0.2
175.07506	0.2
176.04605	0.2
177.05493	0.5
179.03371	2.0
180.03999	0.2
181.04987	0.2
183.02859	0.3
183.04385	0.3
184.05186	0.1
187.03867	0.4
187.07561	0.3
189.05469	0.2
190.06273	0.3
191.03392	0.1
192.04147	0.2
193.01414	0.1
193.04878	0.2
197.04414	0.2
197.06018	0.5
199.04019	0.1
200.04672	1.4
201.05464	1.9
203.03398	1.4
204.04091	0.2
205.05066	0.2
211.03929	0.1
213.05597	0.1
215.06982	1.0
217.04968	3.0
218.05701	1.3
219.02872	0.8
219.06415	0.2
225.05411	0.2
227.06982	0.1
228.01849	0.1
228.02454	0.1
228.04160	3.6
229.04947	5.0
230.05396	0.4
231.02806	1.0
232.03627	0.2
233.04436	0.2
233.08026	0.2
242.05833	0.2
243.06506	3.1
244.06935	0.1
245.01927	0.2
245.04474	3.5
246.05217	3.2
247.05794	0.2
253.04887	0.1
256.03711	0.5
257.04456	3.2
258.04947	0.3
260.03146	0.4
261.07565	0.7
271.06021	1.6
272.06302	0.1
272.45862	0.1
273.03918	3.3
274.04712	6.6
275.05069	0.4
284.03180	0.9
285.03931	4.4
285.07150	0.2
286.04395	0.4
287.01926	0.2
288.06244	0.6
289.06970	0.3
299.05542	0.7
299.09216	0.3
300.06357	0.1
301.03296	0.4
301.52686	0.1
302.04205	18.6
303.04550	1.0
317.06534	100.0
318.06876	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	317.0654
Annotation	Tamarixetin
Peak:m/z	Relative Intensity
51.46414	0.1
52.22153	0.1
53.03942	0.2
55.01873	0.7
55.05504	0.2
57.03439	0.2
61.02915	0.1
65.03933	0.7
66.33763	0.1
67.01843	0.2
67.05487	0.4
68.99785	0.8
69.03421	1.1
69.46996	0.6
71.01325	0.2
79.05477	0.6
81.03411	0.9
81.07056	6.0
82.07420	0.1
83.01340	1.8
83.04974	0.3
84.91326	0.1
85.02903	2.3
88.54564	0.1
91.05487	0.6
93.03408	0.8
93.07018	0.3
95.04966	1.4
95.08597	0.6
97.02898	0.5
99.04478	0.1
103.05451	1.1
105.03424	0.3
105.07047	0.6
107.01283	0.1
107.04946	0.4
107.08589	0.1
109.02885	0.9
111.04486	0.2
115.05453	0.5
117.07036	0.2
119.04940	0.2
119.08581	0.3
121.02863	2.4
121.06481	0.8
122.03687	0.1
123.04424	2.2
124.05241	0.2
125.02345	0.9
127.03906	0.7
128.06223	0.3
129.07007	0.1
131.04897	0.8
131.08585	0.6
133.02808	0.4
133.06477	0.2
135.04399	0.7
135.08047	0.1
136.05176	0.1
137.02344	6.7
137.03442	0.6
137.05948	0.9
137.13252	2.0
138.02669	0.2
139.03906	0.1
140.04659	0.2
141.05417	0.3
141.06996	1.0
143.04910	0.4
143.08578	0.2
144.05666	0.2
145.02896	0.2
145.04945	0.6
145.06476	0.4
146.07231	0.3
147.04440	0.2
147.07993	0.1
149.02318	0.7
149.05975	1.3
151.03906	1.4
151.07530	0.8
152.06180	0.1
153.01822	0.3
153.05475	0.2
153.07022	0.2
157.06468	0.2
157.10110	0.1
159.04428	0.2
159.08072	0.6
159.11711	0.1
161.05956	1.3
162.06670	0.1
163.03940	1.4
163.06006	0.8
163.07536	0.3
164.04382	0.1
165.01816	0.2
165.05457	0.3
167.03397	11.0
168.03696	0.3
169.06479	1.3
171.08084	0.1
173.02348	0.1
173.06055	0.2
174.06760	0.1
175.03914	0.2
175.07469	0.2
177.05441	0.4
177.09108	0.4
178.09879	0.2
179.03389	5.4
179.06975	0.2
180.04091	0.6
187.03905	0.5
187.07538	1.0
189.09215	0.1
191.03387	0.3
193.04962	0.6
197.04404	0.9
197.05997	1.6
200.04654	1.3
200.40718	0.1
201.05424	0.4
205.04897	0.4
205.08580	0.3
207.02740	0.1
208.03632	0.1
209.04413	0.5
213.05496	0.1
214.06169	0.1
215.07018	4.2
216.07469	0.1
217.04997	0.1
219.02837	0.3
219.06476	0.2
221.04434	0.3
225.05453	0.6
227.06989	0.2
228.04065	0.2
229.04955	0.2
233.08171	0.6
241.04854	0.5
242.05658	0.8
243.06523	8.4
244.06912	0.6
246.05176	0.3
253.04996	0.3
253.12161	0.2
259.06055	0.2
260.06760	0.2
261.07568	1.1
263.16461	0.2
271.06000	4.0
271.08960	0.2
272.06509	0.3
281.04605	0.1
281.11758	0.3
287.05447	0.1
287.12778	0.3
288.06274	1.5
289.07001	0.4
299.05490	2.4
299.09094	0.7
299.12729	0.9
300.06094	0.3
302.04120	0.3
315.04813	0.6
316.05463	0.2
317.06525	100.0
318.06870	7.2
318.10709	0.2
318.12534	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	317.0651
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
53.03928	0.2
55.01868	0.3
55.05511	0.3
63.49891	0.1
65.03940	0.9
67.05505	0.3
68.99780	0.7
69.03416	0.3
79.05488	0.5
81.03404	0.4
81.07040	0.5
83.01319	0.3
83.04960	0.2
91.05468	0.5
92.02617	3.0
93.02883	0.1
93.03405	2.6
93.07033	0.5
94.04195	0.2
95.01348	0.2
95.04967	0.4
95.08589	0.3
97.02879	0.2
103.05450	1.3
105.03397	0.1
105.07026	0.8
107.04941	1.7
107.08578	0.2
108.02144	0.1
109.02870	0.9
109.06518	0.2
109.10198	0.3
110.03704	0.1
111.00784	0.4
111.04410	0.2
115.05440	0.3
117.03307	0.1
117.07023	0.3
119.04922	0.3
119.08551	0.3
120.02097	0.2
121.00381	0.1
121.02062	0.2
121.02866	2.7
121.03741	0.1
121.06496	0.4
121.10146	0.1
122.03680	0.3
123.04412	0.7
124.01561	0.3
124.05215	0.2
126.03130	1.0
127.03914	0.2
128.06239	0.2
129.06960	0.2
131.04926	1.1
133.02817	0.2
133.06456	0.2
135.04407	0.4
135.08061	0.3
137.02356	0.9
137.05978	1.5
138.03101	0.1
139.03912	1.1
144.05704	0.2
145.02879	0.2
145.06476	0.5
147.04411	0.7
149.05992	0.3
150.03098	0.3
151.03909	2.2
151.05038	0.3
151.07571	0.4
152.01051	0.2
153.01813	17.9
154.02194	0.4
155.02287	0.2
155.04860	0.3
155.06017	0.1
157.06482	0.3
161.05977	0.4
163.03886	1.3
163.07538	0.6
163.11119	0.3
164.08379	0.2
165.01804	1.3
165.05446	0.6
165.06897	0.3
165.09065	0.3
166.02574	0.4
167.03389	0.3
167.07040	0.2
169.06459	0.2
171.04449	0.3
173.05998	0.5
175.03914	0.3
175.07553	0.3
176.04774	0.2
177.05464	0.6
178.06195	0.1
179.03354	0.6
181.04965	0.7
181.06392	0.2
182.07297	0.2
183.02859	0.5
183.04431	0.4
183.07991	0.2
187.03873	0.4
189.05507	0.2
189.09177	0.3
190.06210	0.2
191.10547	0.2
192.04141	0.2
193.04948	0.6
193.06511	0.2
195.08232	0.2
197.06032	0.2
197.09637	0.3
200.04686	0.7
201.05412	1.7
203.03378	1.7
204.04099	0.2
205.04945	0.2
210.06779	0.3
211.07585	0.3
213.05615	0.2
215.03378	0.2
215.07021	0.2
217.04947	3.3
218.05675	1.4
219.02827	0.8
222.99522	0.1
225.05458	0.2
225.09085	0.8
227.07002	0.3
228.04169	3.7
229.04933	5.8
230.05545	0.3
231.02882	1.0
231.06339	0.2
233.04611	0.1
239.03317	0.2
239.07024	0.2
239.10486	0.1
241.08466	0.1
243.06584	0.5
243.10274	0.1
245.04428	3.7
246.05206	3.5
253.08519	0.3
256.03531	0.7
256.10938	0.1
257.04449	4.0
257.11670	0.8
258.04758	0.4
260.03076	0.6
261.07544	0.5
270.08942	0.1
271.05969	0.8
271.08969	0.2
273.03903	3.4
274.04678	6.8
275.05096	0.3
284.03180	1.1
285.03894	5.7
285.10983	0.9
286.04416	0.5
287.01962	0.4
287.09033	0.2
288.06250	0.4
289.03333	0.2
299.05838	0.3
299.09125	1.8
299.12558	0.3
301.03381	0.5
302.04172	22.5
303.04514	1.2
317.06519	100.0
318.06873	6.9
318.10590	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1018
Annotation	Fustin 3,7-dimethyl ether
Peak:m/z	Relative Intensity
51.02380	0.2
53.03942	0.7
53.48752	0.1
55.01862	0.6
65.03936	0.4
67.05474	0.4
68.99790	0.7
69.03416	0.2
69.41541	0.4
69.41950	0.7
77.03895	0.3
79.05488	1.2
81.03407	0.5
81.07048	0.5
83.04979	0.2
85.02895	1.2
91.05473	0.7
92.02605	0.8
93.03393	0.7
93.06998	0.3
95.04945	1.4
95.08572	0.3
103.05461	0.4
104.62000	0.1
105.03358	0.2
105.04498	0.5
105.07027	0.4
107.04947	100.0
108.05266	2.3
109.02879	0.6
109.06530	0.2
117.07007	0.2
119.04936	0.4
119.08594	0.2
121.02876	0.7
121.06519	0.5
123.04403	1.6
123.11668	0.2
125.02360	0.3
126.03177	0.3
127.03906	0.6
128.06207	0.2
131.04897	1.2
131.08578	0.2
133.02795	0.3
135.04387	0.4
137.02402	0.3
137.05983	2.0
138.05489	0.2
139.03883	1.0
143.04892	0.3
145.06529	0.3
147.04391	1.2
149.05998	0.9
151.03894	7.2
151.07507	0.5
153.01816	3.5
153.06964	0.2
154.02185	0.3
155.02278	0.4
155.03465	0.2
157.06554	0.3
161.05994	0.4
163.03880	1.3
163.07509	0.2
165.01878	0.3
165.05476	1.2
165.06851	0.3
167.03380	0.2
167.06909	0.2
169.04971	0.9
169.06319	0.2
171.04440	0.3
173.05966	0.7
175.03914	0.6
175.07533	0.3
177.05437	0.3
177.09180	0.2
179.03345	0.3
179.08589	0.2
180.98788	0.1
181.04935	0.2
181.06465	0.2
182.07181	0.2
183.08020	0.3
189.09062	0.3
193.04953	8.6
194.05261	0.3
197.06027	0.3
197.09665	0.2
198.06734	0.2
201.01816	0.6
201.05511	0.6
201.09068	0.2
203.03407	0.3
203.06876	0.2
205.04944	0.5
210.06808	0.2
211.05986	11.8
212.06380	0.5
215.07068	0.3
215.10840	0.2
217.05022	0.6
218.05592	0.3
223.06009	0.5
225.05414	0.2
225.09071	0.2
228.04224	0.9
229.04955	1.8
231.02930	0.4
235.07526	0.2
238.06310	0.2
239.06963	0.5
239.10773	0.3
240.07819	0.2
241.08612	0.2
243.06531	0.5
245.04428	0.9
246.05232	0.7
253.08745	0.2
256.07367	0.3
257.00940	1.4
257.04370	1.1
257.08087	0.6
257.11658	0.3
260.03036	0.3
267.06549	0.6
271.09537	0.5
273.03918	0.9
274.04675	2.0
277.54056	0.2
281.08057	0.9
284.03134	0.2
285.00314	2.0
285.03946	2.0
285.07224	0.3
285.11139	0.3
287.09109	0.4
289.03278	0.2
299.05698	0.2
299.09113	4.3
299.12524	0.4
300.09375	0.3
301.03381	0.4
302.00565	0.7
302.04114	6.1
303.04453	0.4
317.02930	4.1
317.06570	23.5
317.10141	2.6
317.13937	2.2
318.03424	0.3
318.06915	1.4
318.10309	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1021
Annotation	Cyrtominetin
Peak:m/z	Relative Intensity
51.02376	0.3
53.03938	0.9
55.01852	0.7
55.05500	0.9
57.03440	0.5
63.02346	0.6
65.03923	0.9
67.05509	2.6
68.99776	0.5
69.03426	1.2
69.07052	0.6
69.33797	2.0
71.04988	0.4
73.98916	0.3
77.03957	0.3
79.05492	4.2
81.03400	1.4
81.07050	1.7
83.01336	3.2
83.04979	0.9
85.02910	0.7
89.03917	6.7
91.05476	2.8
93.03420	1.5
93.07033	1.6
94.04169	0.4
95.04964	2.3
95.08601	1.3
97.02885	2.2
97.06513	1.8
103.05469	10.1
105.04520	0.5
105.07037	2.3
107.04959	6.1
107.08591	0.9
109.02900	1.8
109.06516	1.0
109.10141	0.9
111.04456	2.8
115.05473	0.5
117.03373	10.8
117.06985	0.5
119.04963	1.8
119.08578	1.0
121.02820	0.4
121.06496	2.1
121.10146	0.6
122.03696	0.7
123.04424	6.7
123.08077	0.5
123.11743	0.4
125.06015	2.3
127.03925	0.3
127.38757	0.3
129.06999	0.5
131.04939	5.6
131.08551	0.8
133.06464	1.3
133.10123	0.7
135.04414	18.3
135.08038	0.7
136.04694	0.4
137.02342	1.1
137.05972	6.0
139.03879	1.4
141.06906	0.5
145.02849	13.6
145.03870	0.5
145.06471	0.7
145.10139	0.7
146.03203	0.5
147.04396	2.9
147.08057	0.6
147.11723	0.3
148.05199	0.9
149.02350	0.9
149.05988	2.7
149.09651	0.7
151.03885	0.9
151.05109	0.3
151.07513	1.6
153.01857	1.5
153.05490	1.3
155.02228	0.7
155.07127	0.4
155.08595	0.3
159.04416	0.8
159.08009	0.4
159.11731	0.4
161.06003	1.0
162.06764	0.4
163.03900	74.2
163.07500	2.3
163.11171	0.8
164.04256	2.4
164.08362	3.3
165.05458	3.1
165.06860	0.6
165.09125	0.6
167.03369	1.9
167.07037	0.6
167.08525	0.5
169.06511	0.5
175.03876	3.2
175.07552	0.6
177.05452	0.7
178.06364	0.6
179.03365	1.5
179.07043	2.3
179.99701	0.3
181.04951	100.0
182.05284	3.1
182.06996	0.5
183.08081	0.6
187.03885	0.6
187.11086	0.4
189.09096	0.5
191.10628	0.5
193.04997	2.5
193.08601	1.0
195.08057	0.7
197.09651	0.6
197.13261	0.4
199.06006	2.4
199.07579	0.6
201.09171	0.4
205.04950	1.0
207.06508	3.2
210.06746	0.8
211.07555	1.0
213.05540	0.3
215.07057	0.9
221.05934	0.8
223.07640	0.4
224.02521	0.4
225.09102	1.0
229.12097	0.3
233.08099	0.4
239.07028	0.7
243.06436	0.8
243.10150	0.6
253.08578	1.1
253.12059	0.6
255.06403	0.3
256.07230	0.7
257.11697	0.7
267.06500	0.4
271.09702	1.5
271.13107	0.4
275.09091	0.6
281.08038	0.6
285.11282	0.6
297.28128	0.4
299.09146	16.5
299.12448	0.5
299.20038	0.4
300.09531	0.8
302.04062	0.6
317.06638	6.0
317.10168	81.9
317.13535	3.6
317.21103	1.3
318.03253	0.4
318.07126	0.7
318.10550	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	317.102
Annotation	5,2'-Dihydroxy-7,4'-dimethoxyflavanone
Peak:m/z	Relative Intensity
51.02386	0.8
53.03931	1.7
55.01867	1.2
65.03928	1.8
67.05502	0.9
67.19006	0.6
68.99772	0.8
69.03428	0.8
70.46217	1.1
70.46612	1.3
74.69616	0.6
76.36362	0.5
77.03921	0.6
77.22189	0.7
79.05469	1.9
81.03414	1.3
81.07045	1.7
91.05483	10.7
92.02623	1.3
93.03413	4.3
93.07034	3.9
94.04222	0.6
95.04964	2.5
103.05467	47.9
104.05772	0.8
105.03373	0.5
105.07017	0.6
107.04950	2.3
107.08559	0.7
109.02904	1.9
109.06525	2.2
111.04426	3.2
115.05474	0.7
117.07023	0.9
119.04934	8.1
121.02867	1.7
121.06503	14.2
122.03627	3.4
123.04438	6.5
124.05229	1.0
129.07028	0.9
131.04929	23.6
131.08533	0.7
133.06505	0.7
134.03537	0.8
135.04422	1.1
135.08014	0.8
137.02345	1.6
137.05971	30.3
139.03893	2.3
143.08643	0.6
145.06453	0.7
145.10149	1.1
145.90298	0.5
147.04407	12.7
148.05209	3.8
149.02339	7.6
149.04861	1.2
149.05975	15.8
151.03897	2.4
151.07520	1.5
152.06242	0.8
153.01825	8.6
153.06998	0.9
154.02094	0.7
155.02298	1.0
155.08504	1.6
157.06514	1.1
161.05998	2.0
163.03885	1.6
163.07542	6.9
164.08347	7.0
165.01822	0.6
165.05482	9.7
165.07005	4.6
166.05807	0.8
167.03400	12.8
167.08595	1.2
168.03711	0.7
168.05658	0.9
169.06497	0.8
171.04642	0.6
175.03883	25.6
175.07549	1.5
176.04285	1.0
178.69914	0.5
179.03471	1.5
182.07213	1.7
183.08063	1.9
190.06276	0.7
193.04965	16.2
193.06525	1.9
195.08043	2.2
197.06015	1.3
197.09854	0.6
201.05376	0.8
203.03362	0.8
210.06793	2.3
211.07545	3.8
212.04346	0.6
212.08263	0.7
213.05402	1.3
217.04971	1.6
218.05692	0.7
219.02971	0.6
221.05943	3.5
223.07555	1.0
225.09163	2.1
227.07065	0.6
228.04175	2.2
228.07822	0.9
229.04961	2.2
231.02785	0.7
233.07928	3.1
238.06152	1.0
239.07031	3.2
241.04973	0.9
241.08644	0.8
243.06525	1.3
243.10184	1.1
245.04459	1.9
246.05290	1.5
249.05505	1.3
253.08537	1.6
255.06480	0.7
256.07330	1.7
257.04507	1.4
266.05814	0.7
267.06537	2.9
271.05920	1.0
271.09515	1.4
273.03998	1.3
273.11096	0.6
274.04535	2.7
281.08206	2.0
281.11600	0.6
284.06857	1.1
285.03946	2.2
288.06281	0.8
299.09134	100.0
300.09500	5.7
302.04129	8.7
302.07333	1.1
317.06540	44.6
317.10214	22.0
317.14078	1.6
318.06857	3.7
318.10306	1.3
324.62631	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.102
Annotation	5,2'-Dihydroxy-7,4'-dimethoxyflavanone
Peak:m/z	Relative Intensity
53.03937	1.3
55.01867	1.3
65.03934	2.0
67.05495	0.9
69.03413	0.6
69.12717	1.7
69.13132	2.3
72.45132	0.4
77.03920	0.6
79.05491	1.9
81.03419	1.6
81.07047	2.3
91.04945	0.8
91.05480	10.7
93.03403	4.1
93.07040	3.2
94.04208	1.3
95.04955	2.7
95.08630	0.5
98.23362	0.7
103.05466	45.5
104.06304	0.9
105.03395	0.6
105.07024	1.2
107.04942	2.5
107.08542	0.7
109.02850	2.4
109.06509	1.5
109.10188	0.5
110.03720	0.5
111.04455	3.2
115.05447	0.6
117.07008	0.8
119.04945	6.8
119.08560	1.0
121.02852	0.5
121.06507	12.1
121.10140	0.5
122.03662	3.8
122.06866	0.7
123.04433	5.1
124.05193	0.5
129.06975	0.6
131.04929	23.5
132.05635	0.6
133.06499	1.6
134.03630	0.9
135.04398	0.9
135.08035	1.0
135.11687	0.6
137.02354	1.3
137.05975	27.1
138.06314	0.8
139.03886	1.5
141.06953	0.6
143.04895	0.5
143.08508	0.7
145.06430	0.6
145.10123	1.0
146.03661	0.6
147.04399	10.3
147.08012	0.7
148.05211	4.1
149.02341	7.9
149.05981	16.5
149.09700	0.9
150.06299	0.7
151.03886	1.9
152.06210	0.9
152.76749	0.4
152.96703	0.5
153.01775	0.7
153.06897	0.5
155.08589	1.5
161.05981	1.4
161.09579	0.6
162.06760	0.5
163.03947	2.0
163.07516	5.4
163.11212	0.9
164.08330	17.1
165.05473	11.4
165.06995	4.7
165.08467	0.7
167.03410	10.5
167.04819	0.8
167.08636	2.0
168.05701	0.7
169.06544	1.2
171.08115	0.6
173.06033	0.5
175.03882	31.3
176.04280	1.3
177.07002	0.7
179.03445	0.5
181.06503	0.7
182.07303	2.1
183.08044	2.0
193.04988	11.6
193.06552	2.5
195.08037	2.2
197.05984	1.7
199.07445	0.5
200.08270	0.8
201.09157	0.6
209.09439	0.6
210.06792	4.1
211.07523	6.2
211.09328	0.6
212.08337	0.7
213.05521	1.7
221.06017	4.4
222.06653	0.7
223.07413	1.1
225.09088	3.4
227.06981	0.9
228.07741	0.8
237.05527	0.6
238.06255	1.6
239.07002	3.4
240.07726	0.5
241.04926	1.2
241.08662	0.5
243.10181	0.7
249.05463	1.2
251.03316	0.4
253.08577	3.2
254.09093	0.6
255.06421	0.6
256.07394	1.8
257.08154	0.6
258.08810	0.6
266.05890	0.6
267.06567	2.6
268.07153	0.7
269.04401	0.7
271.06424	0.4
271.09625	1.8
273.11111	0.7
281.08054	3.0
284.06836	1.2
285.07608	0.6
288.06195	1.1
289.07196	0.4
299.09131	100.0
300.09473	6.6
302.04474	0.5
317.06479	4.9
317.10162	12.6
317.13797	1.6
317.21051	0.8
318.10422	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1021
Annotation	5,2'-Dihydroxy-7,4'-dimethoxyflavanone
Peak:m/z	Relative Intensity
51.02376	0.6
51.03789	0.5
53.03934	1.9
53.42470	0.4
55.01872	1.3
55.05503	0.6
57.03426	0.5
57.19852	0.5
64.03839	0.5
65.03939	1.0
67.05509	0.9
68.99781	0.7
69.03417	0.5
69.07789	4.4
70.34536	0.5
77.03912	0.6
79.05484	1.6
81.03426	2.2
81.07059	2.2
82.43138	0.5
85.02893	0.9
91.05476	10.3
93.03405	3.7
93.07047	4.4
94.04186	1.3
95.05006	2.7
95.08644	0.6
99.04423	0.5
103.05467	40.0
104.05723	0.8
104.06307	1.0
105.03427	0.6
105.07032	2.2
107.04959	2.7
107.08595	1.1
109.02863	2.8
109.06526	1.7
109.10152	1.0
111.04408	2.2
115.05444	0.5
119.04936	6.2
119.08556	0.9
121.06509	11.2
121.10120	0.5
122.03688	2.6
123.04437	3.7
127.03912	0.8
127.17292	0.4
130.59709	0.4
131.04926	20.6
132.05682	0.5
133.02878	0.5
133.06488	1.9
133.10123	0.9
134.03691	0.6
135.04401	0.9
135.08061	1.1
137.02330	1.5
137.05977	24.0
138.06281	0.9
139.03891	1.4
141.06976	0.8
143.08586	0.6
145.06505	0.6
147.04405	9.7
147.82341	0.5
148.05214	4.5
149.02350	6.8
149.05978	16.4
149.09596	0.7
150.06429	0.5
151.03906	1.5
151.07571	0.9
152.06239	1.2
153.01808	2.1
153.06932	1.0
154.02142	0.7
155.02283	1.2
155.08569	0.9
159.11760	0.6
161.02348	0.7
161.05975	1.9
163.03906	2.8
163.07538	6.4
163.11224	0.5
164.08331	16.1
165.05481	9.9
165.06987	4.2
165.09126	0.5
166.07820	0.7
167.03389	9.5
167.08604	1.4
168.05646	0.7
169.06461	1.0
175.03893	27.4
176.04282	0.7
179.03366	0.6
181.05048	1.0
181.06430	1.0
182.07318	1.8
183.08101	2.2
185.06046	0.6
189.05423	0.6
191.10820	0.6
193.04959	11.6
193.06508	2.0
194.05327	0.6
194.07169	0.7
194.09012	0.5
195.08075	2.0
197.05991	1.2
210.06741	2.3
211.07487	4.3
212.08313	0.5
213.05457	1.4
213.09154	0.8
213.16490	0.5
215.06952	0.5
221.06020	4.3
223.07565	0.6
225.05585	0.4
225.09111	3.4
228.04160	0.6
228.07834	1.1
238.06189	1.4
239.07059	3.3
240.07764	0.9
241.04913	1.1
249.05510	1.1
253.08583	1.6
255.06622	0.8
256.07245	2.0
257.08023	0.9
266.05756	0.7
267.06506	2.2
268.07202	0.6
271.09775	2.2
273.11346	0.8
281.08127	2.2
284.06857	1.1
285.07584	1.0
288.06271	0.8
299.09131	100.0
300.09473	5.9
302.04117	0.8
311.61972	0.7
317.06476	4.1
317.10147	12.3
317.13800	2.1
317.21060	1.3
317.24747	0.5
318.10437	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1018
Annotation	5,2'-Dihydroxy-7,4'-dimethoxyflavanone
Peak:m/z	Relative Intensity
50.21680	0.5
53.03941	1.7
55.01863	1.7
55.05495	1.0
55.59489	0.5
65.03922	1.9
67.05486	1.7
68.99795	1.0
69.03416	1.7
69.07037	0.7
71.32643	0.7
79.05491	2.5
81.03403	2.5
81.07052	3.8
85.02888	1.5
85.06544	0.6
91.05482	10.9
93.03407	3.7
93.07045	4.5
94.04173	1.8
95.04956	2.9
95.08601	0.9
97.02868	0.9
97.06554	0.7
103.05465	48.5
104.05745	1.0
105.03402	0.6
105.04501	0.6
105.07025	3.7
107.04984	3.5
107.08550	1.3
109.02885	4.0
109.06527	2.0
109.10155	1.3
111.04430	2.2
115.05453	1.2
117.07011	1.3
118.04168	0.8
119.04938	7.9
119.08576	1.3
121.02858	1.1
121.05718	0.9
121.06505	10.9
121.10157	0.5
122.03648	2.6
123.04428	4.5
123.11701	0.6
124.05175	0.9
125.05949	0.8
129.06970	0.7
131.04921	24.9
131.08516	0.7
132.05739	1.0
133.06480	2.0
134.03610	0.8
135.04390	1.2
135.08034	1.3
135.11731	0.6
137.02325	2.3
137.05974	28.7
138.06274	0.9
139.03879	1.7
141.06989	0.6
145.06448	0.5
145.10075	1.6
147.04404	11.0
147.08049	1.1
148.05173	4.6
149.02347	7.9
149.05974	17.3
151.03885	2.7
151.07578	1.3
152.06239	0.8
153.01865	2.6
153.05516	0.9
153.06908	0.9
154.02187	0.7
154.07881	0.6
155.02234	1.1
155.08560	1.5
157.10333	0.6
159.11679	0.6
161.05975	2.5
163.03880	3.2
163.07542	8.7
163.11150	0.7
164.08327	16.7
165.05466	10.4
165.06966	4.4
165.09151	1.4
167.03401	11.0
167.07147	0.9
167.08553	2.1
168.05698	0.8
169.06490	1.1
169.10074	0.6
171.08058	0.6
173.09560	0.7
175.03879	26.3
175.07462	1.1
176.04269	0.8
177.05476	1.3
178.06235	1.3
179.03433	1.0
179.07083	0.6
179.08594	0.8
181.06456	0.7
182.07224	2.1
183.08023	2.5
185.05894	0.7
187.07547	1.0
193.04947	12.6
193.06546	2.3
193.08606	1.7
194.07191	0.7
195.08075	2.2
197.05939	1.4
198.06607	0.8
200.08339	0.8
209.06078	0.8
210.06786	3.9
211.07513	4.8
213.05522	1.3
213.09131	1.0
215.07079	1.0
221.06000	3.5
222.06493	0.7
223.07526	0.8
225.05496	0.9
225.09103	4.4
227.07034	0.7
228.07753	1.0
233.08093	0.7
237.05290	0.7
238.06241	1.8
239.07079	3.7
241.04945	1.0
243.06552	1.5
249.05540	1.2
250.06129	0.7
253.08594	3.3
256.07339	2.1
257.08228	0.7
257.11798	0.8
266.05649	1.0
267.06537	2.2
269.04428	0.7
271.06003	1.0
271.09680	2.5
271.13187	0.9
273.11136	0.7
281.07968	1.8
284.06750	1.0
288.06366	1.2
299.09122	100.0
300.09515	4.9
302.04214	1.1
317.03152	0.7
317.06522	15.9
317.10165	12.1
317.13831	5.0
317.17038	0.9
317.21060	2.4
318.07034	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.7
57.03435	0.7
61.02916	0.6
67.05483	0.7
69.03419	1.4
69.07079	0.6
70.06580	0.6
71.20247	0.9
79.01842	0.6
79.05490	0.8
81.03417	1.6
81.07054	1.4
82.03736	0.6
83.04981	1.1
85.02917	2.6
91.05476	1.7
93.05783	0.8
93.07045	0.9
94.06571	2.1
95.06892	1.2
97.02919	1.4
109.02917	1.1
109.06521	0.6
109.10143	0.9
111.04420	0.6
111.06847	1.3
112.07167	0.9
120.63865	0.5
121.06519	1.9
123.04510	0.8
125.83589	0.5
127.03912	1.3
132.81206	0.5
136.07587	1.3
137.02327	0.5
137.05991	1.9
138.09145	2.0
139.00336	0.8
139.03906	0.9
139.09497	2.5
141.06953	0.5
143.03374	0.6
145.14758	0.5
153.01884	3.4
153.07104	0.6
154.02180	1.6
154.08664	0.7
155.02296	3.3
155.03391	1.3
155.06807	6.5
155.09320	0.5
156.06506	1.1
156.09767	0.9
163.03949	0.7
165.05516	0.9
170.11748	0.7
172.09680	4.7
173.10022	4.4
185.04239	5.1
188.12808	1.2
203.05272	3.1
287.10126	2.5
289.03577	1.3
299.06232	0.6
299.09778	1.0
307.11884	0.5
317.03107	2.7
317.12128	100.0
317.15195	5.7
317.18240	22.8
318.12436	5.7
318.18445	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1384
Annotation	CHEBI:69977
Peak:m/z	Relative Intensity
53.03941	1.7
55.01870	4.7
64.82942	0.7
65.03922	2.4
67.05485	2.3
68.99780	2.3
69.03426	3.8
69.07058	1.5
71.31092	1.0
77.03918	0.8
78.53822	0.6
79.05496	4.6
81.03413	2.9
81.07062	4.3
86.09705	1.5
89.03942	0.7
91.05480	27.5
92.05817	1.1
93.03378	0.7
93.07059	3.3
94.04170	2.6
95.04973	6.6
95.08561	1.0
97.02863	1.0
97.06519	5.0
101.46407	0.7
103.05466	6.2
105.03359	0.7
105.07009	3.3
107.04958	11.4
109.02892	2.1
109.06517	4.5
109.10124	0.9
113.06053	0.7
115.05431	2.2
117.07001	2.5
119.04951	14.2
119.08582	2.6
121.02876	1.3
121.06509	13.4
122.03651	8.5
123.04443	14.0
125.05988	1.3
126.11066	0.7
127.03915	0.8
127.07546	0.8
128.06227	5.6
129.07010	17.8
130.06500	1.7
131.04930	4.2
131.08536	1.0
132.05693	1.1
133.06473	1.5
134.03601	0.9
135.04414	7.7
135.08055	1.6
136.05182	2.2
137.02405	7.3
137.05974	100.0
137.13245	0.8
138.06305	3.1
139.00267	3.8
139.03900	1.1
141.07016	2.1
143.04895	1.4
145.02837	0.8
145.06490	2.6
146.03607	1.0
147.04408	21.1
147.08046	5.8
148.04813	0.8
149.05980	23.9
150.06839	3.9
151.04005	3.8
151.07539	54.0
152.06241	2.0
152.07867	2.2
153.01823	3.1
153.05617	0.9
153.06998	2.4
154.02132	1.4
154.07823	0.9
155.02304	2.2
155.07166	0.7
155.08582	3.2
157.06471	11.3
157.07611	2.5
158.07149	0.7
159.04436	0.8
160.05148	1.9
161.06006	5.3
163.03897	7.1
163.07559	4.0
164.08287	0.8
165.05482	6.4
165.06998	15.2
167.07115	1.3
167.08542	7.4
168.05710	1.0
169.06470	2.6
171.04477	0.9
173.02341	1.5
173.05923	1.0
174.06706	0.9
175.07549	34.1
176.07883	1.4
176.36134	0.8
177.05505	1.0
177.06946	1.4
177.09138	1.2
178.07747	5.5
179.08514	2.1
181.04926	2.7
181.06491	2.7
181.10120	1.0
182.07268	4.1
183.08028	4.1
187.03879	2.4
187.07529	1.6
189.05524	1.3
189.09113	2.3
191.03392	2.1
191.08549	0.8
192.09283	1.2
193.06499	7.9
193.08586	2.1
193.10149	6.2
194.07159	1.4
195.08040	8.2
197.06004	4.4
197.09572	1.6
198.06744	1.6
199.07565	1.2
202.07796	1.3
203.08255	5.7
205.04933	4.8
206.07191	0.9
207.07996	1.5
209.05945	1.4
209.09647	1.2
210.06728	7.1
211.07510	10.9
212.08353	0.7
213.09090	7.0
215.03351	2.8
219.02866	2.7
220.08798	1.3
221.06003	11.6
221.09541	7.6
222.06422	0.9
222.10023	1.0
223.07498	4.3
224.08214	1.4
225.05469	1.9
225.09096	9.5
226.06279	1.2
227.07030	2.1
227.10677	2.9
228.07550	1.2
231.02966	0.9
233.04456	2.1
233.08116	1.7
234.06850	0.8
235.07384	1.3
235.34218	0.8
237.09100	1.1
238.06232	3.8
238.09859	1.8
239.07036	10.4
239.10704	2.2
240.07652	2.4
241.04878	0.8
241.08604	9.0
242.09148	1.0
243.10202	1.6
247.02318	1.7
249.09079	3.9
251.07143	0.9
252.07730	0.8
253.08557	11.7
253.12210	7.4
254.09009	1.1
255.06491	1.8
255.10130	1.9
256.07330	3.2
257.08148	1.0
257.11743	1.9
258.08810	5.2
261.04001	1.2
263.10626	0.9
267.10086	1.5
270.08929	3.3
271.09631	28.5
272.09991	1.8
273.11182	12.7
274.11545	1.1
281.11716	3.1
285.11227	2.1
287.12653	1.2
289.03439	10.5
290.03680	1.4
299.09457	1.6
299.12778	14.0
317.02924	26.8
317.06339	1.9
317.10272	4.9
317.13950	6.5
318.03284	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	317.1383
Annotation	CHEBI:69977
Peak:m/z	Relative Intensity
53.03934	1.2
55.01866	4.1
65.03941	1.8
67.05499	0.9
68.99794	1.2
69.03426	2.0
69.29977	3.4
69.30382	2.1
69.60249	0.8
79.05482	3.4
81.03397	1.2
81.07056	1.9
91.04930	1.8
91.05477	24.5
91.06048	1.3
93.07046	2.8
94.04178	3.6
95.04971	6.2
101.44942	0.9
103.05470	4.5
105.07017	3.2
107.04935	6.0
109.06522	3.5
115.05460	1.0
117.07034	1.3
119.04939	14.9
119.08585	2.7
121.06503	11.1
122.03648	9.8
123.04438	13.4
128.06219	4.2
129.07004	20.6
131.04922	3.0
131.08553	1.0
135.04407	6.0
135.08025	1.2
136.05145	3.1
137.02353	1.8
137.05975	100.0
138.06346	2.8
139.00261	1.6
141.06996	1.5
145.02820	0.9
145.06487	2.4
146.03699	1.0
147.04390	19.2
147.08009	5.4
148.04932	1.0
149.05974	22.5
150.06731	4.8
151.03923	2.6
151.07538	52.7
152.06229	3.0
152.07890	0.9
153.01819	3.6
153.07028	1.8
154.02197	1.7
155.02292	2.9
155.08568	2.6
157.06496	11.1
158.06929	1.1
160.05183	2.4
161.05975	5.5
163.03903	1.9
163.07521	3.4
165.05586	2.0
165.06984	14.7
167.07103	1.6
167.08565	7.2
168.05692	1.2
169.06508	3.5
170.81328	0.9
171.04379	1.6
175.07539	32.7
176.07933	1.4
178.07713	6.8
179.08545	2.2
180.29460	0.9
181.06487	2.6
182.07286	3.5
183.08034	4.1
187.07489	1.6
189.09149	2.2
191.08578	1.2
193.06500	9.2
193.08510	2.1
193.10025	5.5
194.07243	1.3
195.08063	9.2
197.05972	3.7
198.06740	1.3
203.08546	2.2
205.06548	0.9
206.07265	1.1
207.07990	1.0
209.05971	1.3
210.06827	7.3
211.07542	9.9
213.05589	1.0
213.09091	5.8
220.08771	1.2
221.06024	10.4
221.09543	8.1
222.06708	0.9
223.07547	5.4
224.08183	2.0
225.05550	1.9
225.09068	7.7
227.07018	1.5
227.10718	3.0
238.06253	4.7
238.09854	1.4
239.06978	10.5
239.10681	1.5
240.07693	2.0
241.04910	1.9
241.08583	8.1
249.09108	3.4
253.08586	11.3
253.12242	8.1
255.06529	3.1
255.10107	2.6
256.07318	1.6
258.08865	4.7
267.10187	1.9
270.08920	3.2
271.09659	25.8
271.12695	1.8
272.10034	2.2
273.11148	13.1
281.11728	3.8
289.03409	2.0
299.05969	1.1
299.09354	1.6
299.12680	13.2
300.13086	1.1
302.04245	1.6
317.02902	8.0
317.06473	2.2
317.13879	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	317.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.3
55.01878	8.2
55.05526	1.1
57.03438	1.3
65.03932	2.9
67.05505	2.9
68.99787	1.4
69.03429	3.1
69.13062	6.3
69.13477	4.2
74.48663	1.1
79.05483	4.7
81.07047	4.4
85.02882	1.5
87.04430	1.2
91.05486	28.1
93.07049	3.5
94.04180	3.3
95.05015	5.9
103.05468	4.0
105.07025	3.3
107.04954	4.9
107.08598	1.8
107.49614	1.4
109.02867	1.7
109.06500	3.4
113.05984	1.6
115.05476	2.5
117.07021	2.9
119.04939	13.3
119.08596	1.5
121.02872	5.5
121.06528	13.2
122.03656	9.0
123.04433	12.0
128.06229	3.8
129.06990	17.7
131.04935	3.9
133.06453	2.0
134.03661	1.5
134.08122	1.3
135.04419	6.2
135.08035	2.7
136.05228	1.9
137.05978	100.0
138.06293	2.6
141.06982	2.0
143.04936	2.2
145.06419	1.3
147.04413	21.8
147.08058	8.5
149.05984	23.9
150.06723	2.0
151.03905	1.9
151.07544	57.4
152.06209	3.7
152.07806	1.2
153.01793	2.6
153.07008	1.9
154.02190	1.5
154.07751	1.3
155.02327	2.8
155.08575	3.6
157.06508	9.9
160.05260	2.4
161.05925	6.2
161.87799	1.2
163.03862	2.7
163.07524	4.4
165.01834	1.2
165.05516	3.3
165.07001	15.4
167.08534	8.6
169.06505	3.6
171.04401	1.3
173.05971	1.5
175.07550	36.8
177.05492	1.4
177.07037	1.6
178.07825	6.2
179.08597	2.4
181.06488	3.7
182.07257	4.0
183.08116	7.2
185.98497	1.3
189.09122	2.3
191.03456	1.2
191.06955	1.5
191.08508	1.4
193.06483	7.6
193.08554	3.9
193.10146	5.4
194.04976	1.2
194.07082	1.3
195.08073	9.9
197.05962	5.4
197.09662	1.8
198.06760	1.9
199.07491	1.4
202.07736	1.5
203.03392	1.3
203.08653	1.2
205.04959	25.1
205.06786	1.6
206.07259	1.9
209.06006	2.0
210.06737	7.0
211.07544	14.1
213.09099	6.7
217.05220	1.5
221.05972	9.8
221.09549	7.1
223.07503	3.5
224.08226	1.8
225.05428	2.4
225.09081	8.6
226.06177	1.7
227.06982	2.5
227.10706	4.3
229.08647	1.3
231.02919	10.2
231.07898	1.8
233.08084	8.0
238.06226	4.8
239.06998	8.6
239.10643	2.8
240.07686	1.7
241.08568	7.4
243.06595	1.7
247.06093	4.0
249.09151	3.5
253.08618	12.0
253.12233	9.1
255.06302	2.0
255.10234	2.0
258.08853	4.2
261.04013	3.0
267.10013	2.5
270.08978	2.9
271.09659	30.9
272.09991	2.2
273.11237	13.6
273.14392	1.6
281.11691	3.3
289.03427	8.3
299.09430	2.7
299.12738	15.2
317.02887	3.4
317.06430	2.8
317.10162	10.9
317.13831	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	317.1383
Annotation	4-Hydroxy-5,7,4'-trimethoxyflavan
Peak:m/z	Relative Intensity
51.02372	0.9
53.03929	2.5
55.01870	4.4
55.05497	0.7
56.30448	0.5
65.03936	1.6
67.01862	0.7
67.05493	1.8
69.03431	3.2
69.07056	0.7
69.16711	4.3
71.28741	0.5
77.03934	1.7
78.04698	0.6
79.05489	12.9
79.05949	0.6
80.06251	0.5
81.03415	1.5
81.06679	0.5
81.07065	4.1
81.74636	0.5
83.04994	0.6
85.94656	0.4
91.05473	15.6
93.03416	2.4
93.07039	8.8
94.04185	1.0
95.04969	7.3
95.08573	1.3
97.06524	1.0
98.23289	0.7
98.80168	0.5
102.04617	0.6
103.05463	65.3
104.05739	1.1
105.03378	1.3
105.04491	1.5
105.07024	27.0
106.04194	0.6
107.04954	14.1
107.08577	1.5
108.05743	2.1
109.02878	2.1
109.06541	2.5
109.10149	1.4
111.04475	0.8
112.88101	0.5
114.30180	0.5
115.05452	26.2
116.05721	0.6
117.07008	9.6
118.04165	2.1
118.07381	0.5
119.04927	3.9
119.07777	0.5
119.08564	1.8
121.02814	1.5
121.06501	51.5
121.10099	0.7
121.24285	0.4
122.03619	0.9
122.06847	1.4
123.04426	25.0
124.05228	2.5
125.05939	0.6
128.06209	0.7
129.06999	1.2
131.04918	42.0
131.08562	0.8
132.05290	0.9
133.02864	0.6
133.06479	15.8
134.07216	0.9
135.04379	4.7
135.08029	2.0
136.05191	14.4
137.02271	1.0
137.05981	19.2
138.06798	3.2
139.07520	2.0
143.04912	29.4
143.08585	0.7
144.05519	0.9
145.06471	9.2
145.10069	0.6
146.07262	17.5
147.04385	3.6
147.08078	3.2
147.11859	0.5
148.05164	1.4
149.05971	84.2
149.09547	3.0
150.06325	2.8
151.07533	56.9
152.07909	1.6
153.01799	1.9
153.05461	10.3
153.06911	0.6
155.08516	0.5
157.06473	1.5
158.07249	0.8
159.05521	1.7
159.08069	0.9
160.05156	1.2
161.05968	100.0
162.06752	11.1
163.03920	0.8
163.07532	12.8
163.11218	0.7
164.08308	2.6
165.05461	9.7
165.06943	2.1
165.09108	7.2
166.05768	0.5
166.07722	0.9
166.09406	0.6
167.03369	1.3
167.08585	0.8
169.10181	0.6
174.06741	1.7
175.03795	1.2
175.07567	3.9
177.05582	1.0
177.09099	24.3
178.07820	1.6
178.09868	12.4
179.07031	17.7
179.08527	2.0
179.10104	0.6
180.07420	0.6
181.06435	1.6
182.07199	0.6
183.08049	1.7
185.05931	0.5
187.07544	1.3
189.06691	1.1
189.09071	3.1
190.07855	0.5
191.08554	1.0
191.10437	0.5
192.09254	0.6
193.04942	0.9
193.10182	1.0
194.07230	1.2
195.08055	4.8
196.08768	1.7
197.05988	1.8
197.09576	1.1
198.06677	1.0
199.07591	1.1
202.09824	0.6
203.10580	0.6
206.07304	1.5
207.07994	2.0
209.05986	0.6
209.09636	4.4
210.06844	0.8
210.10355	2.1
211.07545	3.5
211.11095	1.1
212.08272	1.7
213.09114	2.5
215.06956	0.6
218.75305	0.5
219.07997	0.8
220.08867	0.5
221.06126	0.9
221.09570	3.5
222.10463	2.5
223.07538	4.1
223.11108	0.7
224.08244	1.9
225.09076	3.3
225.12608	0.5
226.05980	0.6
226.09778	1.3
227.06973	2.0
227.10611	3.5
229.08566	1.1
229.12157	0.7
233.07979	0.6
234.06644	1.0
235.07495	3.2
236.08260	1.0
237.05475	0.7
237.09088	3.7
238.09834	5.0
239.06981	1.7
239.10579	3.0
240.07722	1.7
240.11328	2.0
241.08597	3.1
241.12254	0.7
242.09274	0.7
243.06456	1.4
249.09111	8.3
250.09756	4.6
251.07002	2.0
251.10605	0.8
252.07661	0.6
253.08614	4.0
253.12202	6.5
253.19377	0.6
254.09241	1.6
255.06526	1.1
255.10106	3.9
256.07501	0.5
256.10806	1.9
257.08029	2.4
257.11707	0.9
266.09308	2.8
267.10175	3.7
268.10925	9.4
269.08038	3.3
269.11530	1.8
270.08868	2.5
271.09656	1.5
271.13300	2.8
271.20477	1.0
272.10318	4.3
281.11694	15.4
282.11945	0.9
284.10464	4.0
285.04080	0.8
287.12738	31.6
288.13092	2.5
299.09171	4.8
299.12714	54.5
299.19955	1.6
300.13120	4.0
302.04178	1.5
302.11096	0.6
317.06531	11.3
317.10223	1.7
317.13803	24.3
317.21246	1.1
318.06885	0.8
318.14020	1.7
328.43964	0.5
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
50.14996	2.6
55.01875	6.1
55.05515	15.2
57.35743	2.7
67.05501	10.4
69.07066	94.0
69.61121	6.0
69.61534	9.8
72.34319	3.1
73.06549	10.5
77.17426	2.5
79.05496	25.0
81.03415	5.9
81.07035	14.7
83.04989	3.4
83.08658	4.1
93.07051	16.4
94.53799	2.8
95.08624	12.2
97.06533	30.8
97.10155	8.1
103.05460	8.5
103.55143	3.2
105.07033	8.2
106.72580	2.7
107.08656	3.6
111.11703	2.9
115.05452	3.3
115.07571	11.9
115.65597	2.7
119.08577	4.6
119.15452	3.3
121.10162	12.8
123.04410	2.9
125.05972	47.9
129.09109	5.4
130.00168	2.8
131.04982	3.5
133.10165	3.3
139.11160	19.3
141.70648	3.2
143.07033	100.0
144.07341	3.4
157.12271	8.5
161.05977	10.9
161.08081	39.6
161.09422	4.7
173.06076	7.6
206.32297	3.4
214.65149	3.0
235.16855	4.1
281.17392	14.7
302.04178	4.2
317.06256	5.9
317.09952	4.2
317.13742	8.7
317.17480	10.2
317.21024	5.5
318.29782	4.0
331.09436	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	317.1957
Annotation	CHEBI:67324
Peak:m/z	Relative Intensity
53.03934	1.8
55.01869	7.5
55.05510	66.3
62.66190	1.4
67.05496	8.7
69.03429	5.5
69.06706	3.2
69.07063	28.7
71.23498	2.9
79.05500	9.7
81.07040	9.7
83.04987	1.8
83.08616	100.0
84.08924	2.0
87.08076	2.0
91.05492	5.5
91.31062	1.7
93.07050	6.8
95.08623	3.3
97.10172	43.0
98.10533	2.2
103.05492	8.5
105.07060	3.5
107.04932	2.1
107.06451	1.5
107.08579	10.9
111.08074	39.7
114.68122	1.7
125.09630	40.4
129.09113	84.1
131.04933	8.5
133.10118	1.9
135.07967	3.3
137.05963	4.6
139.07475	2.8
143.10706	3.2
145.10098	2.1
151.03941	2.2
153.09114	3.2
157.08582	6.1
163.03825	2.0
163.07568	3.9
165.05464	3.3
171.10223	2.0
175.09644	22.7
189.11208	45.8
190.11542	2.3
299.09143	7.6
299.12387	1.9
317.06583	3.6
317.10223	3.6
317.13837	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	317.2109
Annotation	Inumakoic acid
Peak:m/z	Relative Intensity
53.03951	2.2
55.05509	4.7
67.05505	15.6
69.03426	2.3
69.04279	2.2
69.04682	13.2
69.07051	3.0
71.04956	1.2
79.05489	9.7
81.07053	25.7
81.26435	1.2
91.05496	9.1
93.07043	20.5
95.04952	3.0
95.08598	17.1
96.03297	1.4
97.10162	2.3
103.05462	3.3
105.07029	59.8
106.07369	2.2
107.04935	2.7
107.08590	18.2
109.06483	2.3
109.10158	41.6
111.04443	1.6
117.07008	2.7
119.04930	1.9
119.08596	11.1
119.71136	1.3
121.06522	3.7
121.10136	12.0
123.11690	4.1
129.07022	1.8
131.04933	2.3
131.08534	6.5
133.02739	1.8
133.06487	2.1
133.10144	7.7
135.08046	3.2
135.11676	10.4
137.05994	5.3
137.09612	57.1
137.13245	2.4
143.08545	5.5
145.10106	8.6
147.08075	1.5
147.11661	6.5
149.06018	2.0
149.09583	5.3
149.13240	5.7
151.03989	1.4
153.09058	3.2
155.08549	4.9
157.10138	5.6
159.08055	1.9
159.11684	8.5
161.05919	2.6
161.09622	5.4
161.13263	4.5
163.11185	6.9
163.14842	2.1
165.05556	2.6
165.06924	1.7
167.07063	1.9
169.10118	10.8
171.11668	4.4
173.09587	1.4
173.13292	6.0
177.09138	2.2
177.12756	2.0
182.07259	1.6
183.07962	1.7
183.11745	3.7
185.13152	1.6
187.14807	4.5
189.12737	3.3
197.09622	2.5
197.13234	6.8
199.14781	2.5
201.16385	1.6
205.12260	1.7
211.07590	2.4
211.14796	3.0
213.16403	3.8
215.17908	1.6
225.09145	5.3
225.16331	6.9
227.17920	2.5
229.19595	6.5
243.13876	3.1
243.15092	1.9
243.17406	14.1
243.21066	38.7
253.08678	1.7
253.19537	21.1
254.19856	1.7
257.08011	2.4
257.11716	5.6
267.06427	1.4
271.20554	100.0
272.18066	1.5
272.20654	7.8
285.11176	6.0
287.19983	2.9
299.09235	5.2
299.20038	69.6
300.20215	3.9
302.04111	3.1
317.02982	1.5
317.06613	6.2
317.10168	3.4
317.13522	7.7
317.21115	37.5
318.21606	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	318.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	5.5
57.26230	4.6
60.12846	4.8
61.02921	10.6
67.74287	4.7
69.03428	17.0
70.06581	17.5
70.66957	14.4
71.04982	6.4
73.02950	5.6
76.69972	4.9
78.54211	4.4
80.39904	5.9
81.03406	9.0
85.02906	100.0
87.63996	4.1
91.05495	7.0
93.07031	7.1
97.02892	28.4
109.02885	11.9
117.07049	5.7
121.06506	75.1
126.51235	5.4
127.03938	17.6
130.06519	6.4
131.08548	6.0
139.03912	13.9
140.04303	6.4
145.04912	31.6
151.03870	5.3
163.06013	6.8
168.08006	6.5
187.07533	15.0
191.10713	4.7
196.07396	7.2
205.08627	11.2
229.08719	8.0
242.08026	5.9
270.07574	10.1
301.99368	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	318.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.7
55.01866	2.2
57.03429	8.0
61.02914	10.6
69.03426	16.9
69.46426	1.8
70.06586	3.9
71.01344	2.0
71.08417	2.9
71.08733	2.1
73.02909	2.4
81.03421	7.0
83.71442	1.7
85.02902	100.0
87.04473	3.1
91.03936	3.1
91.05479	3.4
93.07047	2.2
97.02901	19.0
98.16749	2.2
103.05457	2.6
106.49705	2.0
109.02858	8.4
115.03908	1.8
121.06503	76.6
122.06823	2.9
127.03919	19.6
141.06947	2.0
145.04953	32.8
156.10229	3.2
159.08083	4.1
159.58534	1.9
163.06032	7.0
174.11111	2.1
175.07567	3.3
187.07541	17.7
205.08630	8.7
229.08633	3.8
247.09700	3.4
265.10864	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34370	2.2
57.03439	5.4
61.02927	8.1
62.44260	2.4
69.03423	16.6
69.19224	20.5
71.05003	2.6
73.02911	3.0
74.88068	2.2
81.03428	5.9
85.02907	100.0
87.04444	2.5
91.03954	7.2
93.07046	5.0
97.02908	22.5
99.04441	4.6
103.05448	3.3
105.19422	2.3
109.02887	7.6
121.06508	77.9
127.03915	18.1
145.04958	42.3
159.08076	5.4
163.06070	5.4
180.08694	4.1
187.07611	14.8
205.08598	9.8
229.08611	4.1
247.09729	3.6
265.11023	2.5
344.55746	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	318.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
55.01863	0.6
55.05510	0.9
57.03433	1.4
61.02913	1.6
63.73367	0.4
67.05493	0.7
67.54109	0.4
69.03426	4.1
69.07051	0.9
71.04999	0.5
71.35277	0.7
73.02903	0.7
79.05500	0.7
81.03410	1.7
81.07042	0.5
82.06572	0.9
83.01350	0.4
83.04970	1.2
85.02405	0.7
85.02907	10.4
86.09684	1.3
87.04456	0.8
91.03979	0.5
91.05482	1.0
93.07043	1.3
95.04956	0.4
95.08606	1.7
96.04507	3.0
96.08141	2.5
97.02888	3.4
97.05276	2.9
97.06518	1.5
99.04429	0.6
100.07624	1.1
109.02868	1.3
109.06530	0.7
110.06033	7.0
110.09677	4.3
111.04447	0.5
111.08122	1.0
120.08115	0.7
121.06513	4.1
125.08385	1.3
126.09145	8.6
127.03926	2.2
128.10748	0.9
138.09138	24.6
139.03940	1.0
139.07544	1.4
139.09537	0.5
145.04933	1.2
152.10674	0.6
156.10199	100.0
157.10541	3.2
168.10175	0.8
174.11224	1.3
180.10217	1.1
185.89539	0.4
198.11206	0.7
288.10498	2.0
301.11627	0.6
318.03308	1.0
318.11557	0.6
318.15637	1.7
318.18951	0.8
319.04446	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.3
Annotation	Phytosphingosine
Peak:m/z	Relative Intensity
57.06814	0.7
57.07074	7.6
58.06593	1.8
69.16624	3.6
70.06593	17.6
71.08627	3.6
72.08161	0.6
84.08154	0.5
85.10188	1.2
86.09637	0.4
88.07631	23.7
91.21443	0.4
102.09178	14.1
125.50065	0.4
127.15362	0.4
132.10226	0.8
132.24236	0.4
133.89156	0.4
146.11745	1.1
150.11299	0.5
162.35461	0.4
188.22710	0.3
212.23756	1.2
230.24808	0.5
256.26352	44.4
257.26724	1.6
278.23712	0.4
300.28882	2.9
318.30020	100.0
319.30490	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	319.0448
Annotation	Myricetin
Peak:m/z	Relative Intensity
51.02419	0.2
52.96929	0.1
53.03941	0.2
55.01868	0.6
55.05499	0.2
58.09601	0.1
65.03929	0.5
67.01859	0.4
67.05503	0.3
68.99792	4.2
69.03423	0.5
70.00106	0.1
70.33742	0.4
71.01353	0.2
71.04989	0.2
79.01852	0.4
79.05490	0.4
81.03428	0.9
81.07057	0.3
83.01325	0.2
83.04966	0.5
85.02910	0.2
91.05491	0.5
93.03403	0.6
93.07055	0.4
95.01316	0.1
95.04983	0.2
95.08624	0.2
97.02888	0.6
103.05493	0.2
105.03385	0.2
105.07049	0.5
107.01276	0.2
107.04955	0.7
107.08574	0.2
109.02882	2.5
109.06496	0.1
111.00809	4.6
111.04446	0.8
115.05462	0.3
119.04951	0.2
121.02892	0.6
121.06506	0.7
121.10141	0.1
123.04436	1.6
125.02360	0.6
125.06000	0.3
125.57120	0.1
126.03156	0.5
127.03921	0.9
131.04927	0.2
133.02858	0.4
133.06499	0.3
135.04402	0.6
137.02339	4.7
137.05919	0.3
139.03886	0.8
139.11168	0.2
141.05389	0.2
143.03407	0.3
143.04916	0.2
145.06503	0.2
147.00792	0.2
147.04449	0.9
149.02374	0.4
149.05986	0.5
151.03937	0.7
151.07545	0.5
153.01828	22.4
153.05293	0.6
154.02151	0.8
155.04875	0.2
161.02367	0.5
161.05992	0.9
163.03912	1.8
163.07463	0.2
165.01843	6.6
166.02615	1.0
167.03410	2.6
167.07062	0.6
169.01303	0.4
171.04387	0.9
175.03946	0.5
177.05466	0.5
179.03398	2.9
179.06978	0.2
180.07829	0.4
181.04930	0.3
181.06435	0.2
183.02922	1.9
187.03973	0.1
188.04591	0.2
189.01828	0.2
189.05481	2.4
190.05930	0.2
191.03349	0.3
193.01350	0.7
193.05099	0.3
194.02171	0.2
195.02866	1.6
199.03886	1.0
199.07613	0.2
200.04245	0.1
203.03389	1.4
204.04001	0.1
205.04971	0.2
206.05930	0.2
207.02840	0.7
207.06538	0.2
208.03607	0.3
209.04388	0.6
216.04219	0.3
217.04967	8.5
218.05336	0.4
219.02928	0.6
221.04469	0.7
222.62616	0.1
227.03384	1.1
227.06992	0.3
229.04976	0.5
231.02875	0.7
232.03621	0.2
233.04614	0.3
235.02434	0.6
235.06023	0.6
239.01924	0.3
244.03688	0.7
245.04463	9.9
245.08015	1.2
246.04816	0.6
249.03969	0.2
255.02852	1.4
259.02158	0.2
262.04614	0.1
263.05493	1.2
272.03162	0.3
273.03967	8.3
273.07483	1.1
274.04285	0.6
283.02667	0.2
290.04169	2.1
291.04797	0.4
301.03458	2.0
301.06921	0.3
302.03778	0.4
319.04468	100.0
320.04816	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	319.0448
Annotation	IRIGENOL
Peak:m/z	Relative Intensity
50.76367	0.1
53.03946	0.2
55.01881	0.7
65.03927	0.7
67.05487	0.4
68.99412	0.2
68.99783	3.0
69.03426	0.2
69.07066	0.1
69.63890	0.7
70.68858	0.1
71.01343	0.3
78.53564	0.1
79.01850	0.2
79.05484	0.4
81.03413	0.7
81.07045	0.2
85.02885	0.4
86.09694	0.2
91.05463	0.3
91.87956	0.1
93.03414	0.7
95.01308	0.5
95.04958	0.9
97.02869	0.4
98.22635	0.3
99.00790	0.2
103.05488	0.2
105.03426	0.2
105.07030	0.3
107.04949	0.7
109.02879	1.0
111.00786	1.4
111.04428	0.4
113.02372	0.4
115.05435	0.7
119.04964	0.3
121.02862	1.6
121.06470	0.3
123.00749	0.6
123.04418	4.1
124.04703	0.1
125.02335	0.8
126.03141	0.2
127.00235	0.2
127.03912	0.5
131.04932	0.3
133.02869	0.4
133.06479	0.3
135.04369	0.3
137.01265	0.3
137.02338	6.2
137.03432	0.6
137.05934	0.5
138.02649	0.2
139.00229	0.5
139.03871	0.6
141.01782	0.3
142.02597	0.3
143.03377	0.2
143.04901	0.4
145.26842	0.1
147.04385	1.5
149.02335	0.6
149.05952	0.6
151.00229	0.2
151.03891	1.1
153.01813	8.3
153.05424	0.5
154.02155	0.2
155.04865	0.2
157.02847	0.2
159.04417	0.3
161.02312	0.3
161.05956	0.6
163.03926	0.5
165.01817	1.6
166.02580	0.3
166.04971	0.3
166.99748	0.1
167.03352	0.5
168.00478	0.1
169.01312	11.6
170.01668	0.4
171.02887	0.4
171.04399	1.7
173.05983	0.2
175.03897	1.2
177.05457	1.4
179.03372	1.0
181.01323	2.0
182.02005	0.1
182.04454	0.2
183.02879	0.5
185.00832	0.4
189.05461	1.4
191.03371	0.3
193.01331	0.2
193.04936	0.2
194.02104	0.1
195.02908	0.9
199.03888	2.2
201.05391	0.1
203.03363	1.1
207.02850	0.4
211.02281	0.1
217.04948	4.1
219.02798	0.3
221.04482	0.5
227.03407	0.9
229.04921	0.3
231.02863	0.3
235.02348	0.2
235.05980	0.4
244.03622	0.5
245.04440	7.4
245.08247	0.5
246.04813	0.3
248.03326	0.2
255.02896	0.8
258.05228	0.1
259.10693	0.4
261.03754	0.2
263.05487	1.2
271.10535	0.2
272.02948	0.2
273.03943	5.1
273.07431	0.7
273.10440	0.2
274.04428	0.2
283.02310	0.2
283.10846	0.2
290.04184	1.1
291.04865	0.4
301.03458	2.2
301.06879	0.2
301.11591	0.6
319.04437	100.0
320.04779	6.1
320.07770	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0443
Annotation	IRIGENOL
Peak:m/z	Relative Intensity
51.02367	0.1
52.39660	0.1
53.03942	0.2
55.01868	1.2
55.05488	0.1
57.03426	0.2
59.03066	0.1
62.68193	0.1
65.03929	0.7
67.05508	0.5
67.05801	0.1
68.99784	2.7
69.03420	0.1
69.10699	0.9
70.20869	0.1
71.01337	0.3
76.87469	0.1
79.01839	0.2
79.05470	0.3
81.03403	0.8
81.07042	0.2
83.04956	0.3
85.02898	0.6
91.05454	0.4
93.03410	0.7
95.01329	0.5
95.04955	1.2
97.02864	0.4
99.00797	0.1
103.05432	0.2
105.03355	0.3
105.07028	0.3
107.01286	0.2
107.04967	0.8
109.02879	0.7
111.00774	0.2
111.04413	0.5
113.02349	0.3
115.05438	0.8
119.04923	0.4
121.02859	2.3
121.06510	0.2
123.00794	0.8
123.04417	7.2
124.04729	0.1
125.02319	1.1
127.00276	0.3
127.03888	0.2
131.04929	0.2
133.02821	0.4
133.06458	0.2
135.04399	0.4
137.02336	8.3
137.03427	0.8
137.05945	0.3
138.02658	0.1
139.00240	0.8
139.03883	0.4
141.01814	0.5
142.02582	0.3
143.03329	0.1
143.04904	0.5
145.06421	0.1
146.94093	0.1
147.04388	1.5
149.02359	0.7
149.05963	1.5
151.00259	0.1
151.03891	2.0
151.04984	0.2
152.06206	0.1
153.01828	2.5
153.05437	0.2
155.03342	0.1
157.02864	0.1
159.04364	0.2
161.02353	0.2
161.05977	0.5
163.03923	0.6
165.01817	0.2
165.05531	0.2
166.99664	0.2
167.03363	0.8
169.01309	15.7
170.01604	0.5
171.02892	0.6
171.04381	2.4
171.05766	0.2
175.03903	1.3
177.01775	0.1
177.05452	2.3
179.03380	0.3
181.01300	2.6
181.04865	0.2
181.06465	0.4
182.02026	0.2
183.04315	0.2
185.00850	0.7
187.03906	0.2
189.05516	1.1
191.03333	0.2
193.04895	0.1
195.02884	0.6
199.03905	3.3
200.04259	0.1
203.03357	0.6
207.02905	0.2
207.06459	0.1
210.01463	0.1
211.02399	0.3
213.09012	0.2
217.04912	2.5
217.06787	0.2
219.02849	0.3
221.04469	0.3
227.03384	1.0
227.06876	0.1
228.04126	0.2
229.04962	0.2
231.02852	0.3
233.04393	0.1
235.05954	0.4
240.61143	0.1
241.08687	0.1
244.03525	0.5
245.04434	6.4
245.08052	1.2
246.04787	0.3
248.03055	0.2
249.03758	0.2
255.03017	0.7
258.05298	0.3
262.04810	0.1
263.05402	0.9
272.03030	0.2
273.03900	4.0
273.07498	1.4
273.11270	0.3
274.04419	0.3
274.07809	0.2
277.13016	0.1
283.02362	0.2
290.04114	1.0
291.04761	0.4
301.00073	0.2
301.03381	2.5
301.06973	0.6
301.10571	0.2
302.04294	0.2
319.04434	100.0
320.04788	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	319.0448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.1
53.03945	0.1
54.20066	0.1
55.01653	0.1
55.01874	1.1
55.05512	0.1
57.03404	0.1
65.03936	0.5
67.01852	0.3
67.05492	0.3
68.66061	0.1
68.99422	0.2
68.99789	2.6
69.03423	0.3
69.07047	0.1
69.35019	0.1
71.01344	0.3
71.31503	0.1
79.01861	0.2
79.05483	0.4
81.03412	0.9
81.07059	0.2
83.01362	0.2
83.04970	0.3
83.69785	0.1
85.02914	0.6
91.05476	0.2
93.03423	0.6
93.07031	0.2
95.00779	0.1
95.01317	0.6
95.04964	0.9
97.02892	0.4
98.28892	0.1
99.00794	0.1
103.05479	0.3
105.03389	0.5
105.07041	0.4
107.01315	0.3
107.04948	0.6
109.02873	0.6
111.00816	0.5
111.04449	0.5
113.02351	0.3
114.53317	0.1
115.05431	0.6
119.04940	0.3
121.02055	0.2
121.02873	2.0
121.06461	0.1
123.00787	0.7
123.04433	2.2
125.02364	1.1
126.03115	0.3
127.00286	0.3
127.03910	0.4
131.04927	0.2
132.00380	0.1
133.02872	0.3
133.06496	0.3
133.83987	0.1
135.04434	0.5
137.02353	7.2
137.03426	0.5
137.05939	0.2
138.02679	0.2
139.00266	0.7
139.03894	0.3
141.01845	0.4
141.05446	0.3
142.02583	0.3
143.04926	0.7
143.34207	0.1
145.02792	0.1
147.04424	1.7
149.02353	0.6
149.05989	0.4
151.00278	0.2
151.03880	0.3
153.01822	4.4
154.02209	0.1
155.03435	0.1
155.04822	0.1
157.02867	0.2
159.04430	0.3
161.05949	0.6
163.03949	0.9
165.01855	1.3
166.99747	0.4
167.03394	1.2
167.07060	0.2
168.00545	0.2
169.01326	14.1
170.01709	0.3
171.02913	0.5
171.04388	2.4
175.03906	1.1
177.01865	0.2
177.05493	0.6
179.03391	1.0
181.01324	2.4
181.04906	0.2
182.02190	0.2
183.02850	0.2
185.00839	0.6
185.04471	0.2
187.03975	0.1
189.05498	1.1
191.03404	0.2
193.04958	0.3
194.02144	0.1
195.02910	0.9
199.03899	2.7
203.03374	1.4
204.03984	0.1
205.90443	0.1
207.02936	0.6
207.06375	0.2
209.04329	0.1
211.02385	0.3
217.04955	3.0
219.02919	0.2
221.04456	0.5
223.02483	0.1
227.03423	1.3
227.06937	0.1
228.04054	0.1
229.05051	0.3
231.02892	0.3
232.03706	0.3
233.04568	0.1
235.02652	0.1
235.05878	0.5
244.03693	0.4
245.04459	7.0
245.08340	0.2
246.04884	0.4
249.03926	0.2
255.02995	0.8
259.10861	0.2
261.03894	0.1
263.05490	1.2
272.03128	0.1
273.03940	5.4
273.07407	0.3
274.04349	0.4
283.02399	0.4
290.04193	1.2
291.04895	0.4
301.03476	2.5
301.06854	0.2
301.11600	0.3
302.04044	0.3
319.04465	100.0
320.04810	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	319.081
Annotation	Lecanoric acid
Peak:m/z	Relative Intensity
51.02383	0.4
53.03947	0.6
55.01855	0.4
65.03935	0.4
66.59248	0.3
67.05490	1.6
68.99772	0.5
70.60601	0.9
77.03919	0.7
95.04967	4.1
104.38225	0.3
105.03383	1.3
105.04520	0.4
111.04452	0.4
114.15631	0.3
123.04423	100.0
124.04735	3.0
133.02840	1.4
135.04405	0.6
137.02354	0.7
139.03899	0.4
141.05519	1.6
149.02353	0.3
151.03864	1.8
152.01018	0.7
153.01810	0.4
153.05435	0.3
161.02328	2.5
164.04712	1.4
167.03392	17.0
168.03720	0.5
179.03410	1.6
181.04964	0.5
201.05588	0.3
209.04543	0.3
212.04639	0.3
213.05367	0.5
227.06972	1.4
242.05669	1.0
245.08086	21.8
246.08432	1.1
255.06532	1.4
257.04416	0.8
258.05270	4.7
272.06754	1.1
273.07559	28.8
274.07925	1.8
301.07050	7.3
302.07397	0.5
319.04556	0.9
319.08057	5.8
320.08426	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0811
Annotation	CHEBI:68128
Peak:m/z	Relative Intensity
50.28441	0.4
53.03931	1.1
55.01858	1.3
55.05499	1.3
56.33849	0.4
65.03911	0.6
67.05482	1.7
68.99774	1.1
69.03417	1.1
69.07038	0.5
70.43321	0.6
70.43625	0.6
77.03922	0.9
79.05489	3.5
81.03394	1.2
81.07042	1.0
83.01337	4.3
83.04966	1.6
84.89016	0.4
89.03912	0.4
91.05466	0.8
93.03377	0.6
93.07039	0.6
95.04955	4.3
95.08608	0.5
97.02868	0.9
103.05449	0.5
105.03387	1.5
105.07018	0.8
107.04942	4.1
107.08607	0.5
109.02858	1.4
109.06483	0.6
111.04446	1.3
115.05444	0.5
119.08610	0.5
121.06479	1.0
123.04424	48.1
124.04736	1.2
125.02467	0.5
125.05964	4.8
128.06198	0.8
128.76501	0.4
129.06956	0.6
131.08652	0.5
133.02821	2.1
135.04408	13.7
135.05463	0.7
135.11627	0.5
137.02322	1.8
137.05989	0.9
138.06329	0.4
139.03929	1.0
141.05461	2.0
143.08522	0.6
147.04411	0.8
149.05971	0.6
151.03920	3.0
153.05460	3.5
153.06883	1.1
156.52188	0.5
161.02316	3.9
161.05931	0.9
161.09555	0.6
163.03897	60.1
164.04449	2.4
165.01837	0.6
165.06998	0.6
167.03391	100.0
168.03745	2.8
171.04401	1.0
171.08093	2.3
175.03978	0.5
175.07545	0.9
176.07834	0.5
177.08009	0.6
179.03394	3.0
181.04953	9.8
181.06487	1.2
184.05203	2.7
185.04358	1.0
185.05908	0.5
189.09108	1.3
199.03873	0.7
199.07526	6.9
203.03363	1.2
209.04434	18.3
210.04759	1.0
211.07593	0.5
213.05278	0.5
215.07028	1.3
216.04259	0.6
217.04938	1.1
217.08685	0.9
227.03584	0.6
227.07016	9.3
229.04977	1.0
230.02000	0.6
230.05612	0.6
231.06575	0.6
241.04855	0.7
243.02846	1.3
243.06436	0.5
244.56477	0.5
245.04483	6.7
245.08086	42.8
246.08414	2.3
255.02968	1.5
255.06535	3.7
258.05170	1.2
259.06052	1.6
260.06863	1.7
272.03030	0.8
272.06848	1.4
273.07547	41.3
274.07877	2.0
287.05392	1.2
301.07040	14.9
302.07343	1.4
304.05664	1.1
319.04559	0.7
319.08072	19.5
319.11786	0.7
320.08481	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.081
Annotation	Lecanoric acid
Peak:m/z	Relative Intensity
51.02374	0.4
51.35770	0.3
53.03948	0.5
55.01874	0.9
63.45285	0.3
67.05509	2.5
68.99770	0.8
69.03418	0.4
69.05920	0.3
71.33514	0.6
74.97591	0.3
77.03909	0.9
81.03399	0.5
83.04968	0.7
95.04970	4.7
105.03397	1.4
107.04945	0.7
111.04428	0.9
123.04421	100.0
124.04774	2.4
127.03936	0.5
133.02855	1.5
135.04381	0.7
137.02345	1.0
137.05954	0.5
139.03899	1.7
141.05440	1.5
147.04399	0.4
149.02295	0.4
149.06006	0.5
151.03879	2.1
152.00998	0.6
152.74953	0.3
153.01900	0.6
153.05447	0.6
161.02327	2.6
164.04652	1.2
166.02618	0.4
167.03400	14.7
168.03725	0.8
169.01266	0.6
170.01976	0.4
179.03371	1.5
181.04942	1.0
212.04620	0.7
213.05371	0.5
217.78957	0.3
227.06963	1.7
227.63480	0.4
229.04956	0.6
242.05751	0.7
245.08087	21.6
246.08398	0.7
255.06415	0.8
257.04257	0.8
258.05209	5.1
259.05899	0.6
262.20233	0.4
272.06683	1.2
273.07562	27.4
274.07996	1.0
301.07065	6.9
301.11899	0.5
319.04413	4.1
319.08154	4.8
319.11728	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61161	0.3
55.05513	0.3
56.96554	0.3
57.03424	0.4
58.99867	0.4
59.66790	0.3
69.55740	0.3
69.95445	1.7
70.00400	0.3
81.03413	0.4
85.01413	1.9
85.02917	0.5
86.99332	0.3
97.02850	0.5
98.23225	0.4
98.97586	0.7
99.08077	0.6
101.00906	1.4
103.02454	3.9
113.00857	1.0
117.03996	3.1
119.01924	1.5
121.03479	0.9
127.02427	0.3
127.06145	0.4
129.00357	1.3
129.03978	0.4
131.01903	2.6
133.03511	0.5
135.05031	2.4
143.01871	0.5
145.03490	3.3
145.07082	1.3
147.01405	5.0
147.05045	0.5
155.01973	0.9
157.03477	1.2
159.05052	0.4
161.02950	1.6
161.06639	0.4
163.04538	1.5
163.08180	2.0
171.01419	0.6
173.02943	3.0
173.06615	0.6
175.04478	0.8
175.08153	1.8
183.01315	0.5
187.08147	0.9
189.02475	4.5
191.03970	0.4
199.00896	1.1
199.08194	1.5
201.02460	1.0
203.04080	0.6
207.03490	3.7
211.08170	0.4
215.03996	1.3
217.01984	0.9
217.09171	2.4
221.05063	1.9
229.09213	2.8
231.03500	2.5
233.05119	0.8
243.03502	8.4
244.03694	0.6
245.05194	0.5
246.14503	0.4
249.04330	0.7
253.09366	0.5
255.07260	0.7
259.03036	3.9
260.03152	0.4
273.08173	0.6
277.04062	1.1
287.02560	1.2
291.09109	0.4
319.05429	2.6
319.10196	4.4
319.13611	100.0
320.14026	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	319.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	5.4
67.05508	3.8
69.03414	1.5
69.07050	2.2
71.04979	1.1
71.32166	0.9
71.32526	1.1
79.05492	2.9
81.03407	1.4
81.07052	6.0
81.40025	0.8
83.04983	11.3
83.08624	1.7
85.06537	1.0
86.14415	0.8
91.05482	2.8
91.44285	0.8
93.07068	4.8
95.04987	2.4
95.08606	4.6
97.10200	1.2
105.07033	3.1
107.04974	1.3
107.08614	4.7
109.06553	0.9
109.10172	3.1
111.08109	1.1
119.08601	3.5
121.06526	1.5
121.10159	2.8
123.04450	1.3
129.07013	1.1
131.04964	0.8
131.08586	1.1
133.10129	2.2
135.11717	2.0
137.09621	1.3
143.08588	2.3
145.06487	0.9
145.10141	2.0
147.08060	1.5
147.11697	2.0
149.09637	2.2
149.13261	1.2
151.07509	0.9
157.10109	1.0
159.11787	1.0
160.56171	0.8
161.09633	1.9
161.13300	1.7
163.03864	1.1
163.11197	1.2
163.14864	0.8
167.03482	1.5
167.10696	1.1
171.08148	0.8
175.11302	1.3
189.09126	1.4
189.16545	1.0
196.13979	0.8
238.18936	0.9
259.13324	1.1
301.14420	1.5
301.17999	2.1
301.21500	1.4
319.15192	100.0
319.18625	4.0
319.22800	4.1
320.15610	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	320.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64255	2.9
56.96553	20.6
60.24458	2.7
69.03442	7.3
69.07057	6.3
69.81348	12.1
81.03397	7.9
84.96029	11.7
85.02917	18.7
97.02889	6.2
98.97586	100.0
104.68771	2.8
109.02873	62.8
110.13756	3.1
110.97557	25.4
112.99120	2.9
116.98602	22.7
124.99170	3.9
128.98607	19.0
135.28908	3.3
140.98642	3.5
141.05455	48.8
143.00174	10.7
144.98073	5.3
145.04965	3.7
152.98575	12.2
156.10527	2.9
158.99683	10.7
170.99660	7.5
177.00758	9.5
219.01758	22.9
237.02808	21.8
261.06436	6.6
279.07516	71.4
297.08554	13.5
303.01382	5.2
303.84811	3.1
320.13727	16.0
321.08588	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	320.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26519	5.0
59.38035	4.8
69.03439	13.8
69.35214	5.5
70.59032	15.1
74.72048	5.7
81.03423	14.5
82.99475	4.5
85.02888	33.1
97.02859	11.9
98.97569	6.4
109.02877	100.0
123.04450	9.7
127.03960	5.9
129.09395	5.0
139.03926	7.9
141.05452	81.2
171.35582	5.2
243.10995	7.1
272.11639	5.1
285.00381	5.6
303.01318	22.3
333.45801	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	321.0946
Annotation	(-)-Dihydroflustramine C
Peak:m/z	Relative Intensity
53.98765	1.7
56.96568	19.0
70.35054	3.5
83.38422	1.4
83.69059	1.8
84.04492	3.2
84.96059	8.8
85.01144	1.7
85.02886	2.3
91.05487	1.8
95.77299	1.6
98.97580	81.3
107.04958	1.9
107.85213	1.8
110.97570	19.8
112.99111	3.6
116.98617	24.7
124.99187	2.5
128.98604	16.1
131.00157	2.2
134.99648	5.9
140.98625	3.8
143.00171	8.3
144.98062	4.0
146.99614	5.7
147.04376	2.2
152.98587	9.9
158.99634	13.9
160.07581	2.2
161.01204	5.5
162.99179	3.0
165.11670	1.8
170.99667	8.0
173.02385	3.5
175.03900	2.9
177.00710	8.7
186.07544	7.8
187.03841	1.9
189.00642	2.2
191.03296	1.8
201.01813	7.2
219.01671	20.2
229.01328	5.8
231.02950	5.3
234.98903	3.4
237.02817	27.1
243.07944	2.3
247.02342	5.2
257.00763	16.8
257.12717	1.8
259.02335	7.8
261.06335	8.2
275.01901	10.8
277.03391	5.2
279.07486	74.6
285.00345	9.1
297.08588	14.2
303.01364	61.4
304.01608	4.7
321.02344	8.6
321.09079	100.0
322.09445	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	321.0945
Annotation	Unknow
Peak:m/z	Relative Intensity
62.77415	3.0
65.43253	3.1
69.23552	14.2
69.23975	11.5
70.06593	4.2
84.08145	4.9
85.74323	4.1
89.15429	3.1
98.23374	7.5
101.00869	5.3
102.46902	3.4
106.88911	3.7
113.00861	5.8
114.09126	4.2
119.01848	3.2
131.01871	6.0
133.03476	5.8
143.01900	3.8
155.01859	3.9
159.05069	4.2
160.09656	21.1
171.05022	6.6
177.06110	3.6
189.06029	3.8
216.64815	3.3
219.07027	4.6
221.05093	4.4
261.08292	6.2
279.09232	9.3
321.11459	100.0
322.10651	6.0
322.15347	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	321.0947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80217	0.7
58.99875	2.6
68.98287	2.8
69.03446	1.1
69.48520	4.4
70.99863	2.5
73.01405	0.8
77.00890	1.4
81.03403	1.0
82.99822	5.6
85.01414	2.1
85.02895	1.8
86.99338	2.7
89.00896	1.0
90.38876	0.7
91.02473	0.9
94.99864	2.4
97.01369	5.0
98.97578	1.7
99.02988	1.6
101.00881	44.5
102.00988	2.2
103.02440	3.7
113.00867	24.0
114.01064	0.9
115.02430	26.5
116.02534	1.2
117.04005	12.0
119.01917	47.0
120.02016	2.2
125.00874	3.2
127.02409	6.6
129.03978	4.3
131.01904	35.8
132.02000	1.9
133.03464	28.9
134.03601	1.8
135.05016	11.8
136.05327	1.0
137.00836	7.9
137.02940	4.8
138.01634	1.6
139.02451	1.8
141.03961	6.7
143.01903	24.0
144.02003	0.8
144.99869	1.2
145.03462	22.8
146.03528	0.9
147.01414	2.8
147.05013	3.0
149.02965	2.8
151.04579	1.5
153.03966	4.2
155.01891	46.3
155.05522	2.3
156.02785	5.8
157.03476	6.8
159.01437	0.9
159.05029	40.1
160.05165	3.7
161.02951	25.0
161.06612	1.6
162.03113	1.6
163.04503	6.0
168.99843	5.5
171.01376	2.7
171.05032	47.4
172.05249	3.2
173.02957	30.6
173.06593	11.1
174.03169	2.9
175.04510	4.8
177.02487	0.8
177.06084	15.8
177.07605	1.0
178.06239	1.1
179.01877	0.7
179.03998	1.1
183.04974	4.6
185.02966	6.3
185.06668	4.1
185.08054	0.8
187.00896	12.2
187.04565	2.4
188.01024	1.3
189.02481	4.0
189.06079	27.7
190.06223	1.5
191.04007	4.4
191.07664	3.4
195.05078	2.0
195.07054	1.7
196.99307	3.9
197.02960	1.9
199.04585	1.3
201.02449	2.3
201.06078	16.4
202.06192	1.0
203.03998	21.5
203.07619	4.9
204.04257	1.5
205.01988	2.9
211.04472	0.9
213.06081	8.2
215.00356	12.6
215.03703	1.0
217.01752	1.0
219.03546	2.3
219.07135	11.8
221.05067	62.0
222.05234	5.6
229.01910	6.5
231.03523	1.2
231.07188	6.1
233.01465	1.6
233.05081	5.9
233.08760	1.2
241.86546	0.8
243.07140	8.8
245.05054	6.8
247.02991	21.9
248.03291	1.6
249.04694	1.9
255.07176	1.4
257.00742	0.8
259.06625	1.5
261.08194	79.1
262.08365	6.8
265.04065	3.3
273.08456	1.2
279.09238	100.0
280.09442	8.0
289.04059	2.8
302.10803	1.3
303.01355	1.2
321.10092	75.6
322.10443	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	321.1443
Annotation	Formylfusarochromanone
Peak:m/z	Relative Intensity
55.01867	1.4
65.03928	2.8
67.05492	1.7
68.99775	2.7
69.03439	1.7
69.07068	10.1
69.41161	3.1
69.41592	2.9
71.01326	0.8
79.05504	1.9
81.03419	1.6
83.04976	1.2
91.05456	1.9
92.04997	0.9
94.06560	13.1
95.04956	2.7
97.06525	1.0
98.06064	0.8
98.23280	1.5
103.05430	1.4
105.07052	1.1
107.04956	4.9
107.07336	10.4
109.02859	3.7
110.05117	0.8
110.06038	2.4
111.04443	4.1
112.01568	7.0
112.07604	3.6
114.39579	0.8
120.04462	5.0
121.06518	5.8
122.06023	33.8
122.07292	5.3
123.04420	4.1
124.04782	1.1
126.94277	0.9
127.03904	36.2
133.06458	0.9
135.08081	1.9
136.07570	1.2
137.06004	1.6
139.03882	5.2
140.04730	1.3
140.07051	42.6
141.07401	1.3
142.08617	2.0
149.09625	3.4
153.01782	1.4
155.03383	46.3
162.05490	70.4
163.06223	10.8
163.07573	5.1
164.07056	14.7
180.06572	1.9
181.08511	1.5
216.10196	1.8
240.10204	2.0
243.06586	1.0
247.08508	0.9
252.10753	1.0
258.11258	15.8
261.12289	1.1
275.08905	1.4
285.12344	8.7
286.10645	2.2
303.13373	100.0
304.13666	5.2
321.09393	1.6
321.14401	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	321.167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.8
55.05505	3.5
57.07077	3.7
58.07405	1.2
67.05511	3.5
67.66061	0.6
69.03427	1.0
69.07073	3.7
69.36459	2.0
69.36871	3.0
70.06598	3.8
71.04986	1.3
71.06912	2.1
71.08627	1.0
72.08970	0.9
73.19728	0.6
73.58165	0.7
74.68455	0.6
79.05504	2.4
81.03416	1.0
81.07044	5.0
83.04991	1.3
83.08624	1.5
88.07629	5.4
89.07961	2.5
90.08054	1.0
91.05460	3.5
93.07037	4.8
95.04959	2.4
95.08596	4.9
97.10150	1.5
102.09176	2.5
103.09525	1.5
105.07024	2.4
107.04981	0.9
107.08585	2.9
109.06501	1.6
109.10145	2.7
117.07024	1.4
119.08594	2.6
121.06483	5.5
121.10152	3.0
123.11724	1.1
131.08510	1.4
133.10115	2.0
135.11719	1.5
137.09644	1.8
143.08557	0.8
145.10104	1.7
147.11664	1.4
149.09628	0.7
159.11763	1.3
161.13275	0.9
163.07542	1.2
165.09123	19.4
173.13274	1.3
181.08548	1.0
247.09863	1.0
256.26276	1.7
257.26651	4.8
258.26971	5.5
259.27249	5.0
285.15091	0.8
302.29584	0.9
303.19238	1.5
303.23218	1.5
306.08908	1.1
320.30591	11.2
321.11465	3.9
321.16748	100.0
321.20306	5.1
321.30884	31.1
321.34775	1.1
322.17166	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	321.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.8
55.01868	9.6
55.05508	5.9
57.03434	16.1
59.05000	2.6
65.84433	1.6
67.05502	22.7
69.07063	100.0
69.28175	11.9
70.06591	6.2
71.06916	3.4
79.05494	32.8
81.03413	10.3
81.07050	23.9
83.04972	9.1
83.08604	1.8
88.07633	6.8
88.90047	1.8
89.07977	1.8
91.05478	33.3
93.07042	31.8
95.01349	2.8
95.04965	8.7
95.08611	7.6
97.06526	12.9
97.88244	1.6
100.13287	1.6
102.09157	3.5
104.46336	1.8
105.07031	16.1
107.04937	26.0
107.08581	12.8
109.06513	17.2
109.10159	3.2
111.08080	2.5
115.05502	1.9
116.06277	1.9
117.07015	7.5
119.08539	8.4
121.06515	3.9
121.10142	20.3
123.08067	2.9
127.07560	5.4
129.06960	3.6
131.07010	2.6
131.08549	25.1
133.06473	11.8
133.10136	13.1
135.08066	11.0
135.11732	3.0
137.09564	2.2
143.18053	1.7
145.06392	1.7
145.10135	7.4
147.11650	2.4
149.09607	41.1
151.11140	12.2
159.08105	6.1
159.11646	2.3
161.09633	2.1
165.09081	2.6
171.10201	16.0
177.09125	7.6
183.10146	35.1
183.11630	2.8
187.11092	2.5
194.61246	1.9
201.16362	2.6
214.47527	1.7
219.08070	1.8
229.15872	2.0
247.16916	3.5
256.26382	2.8
257.26700	6.7
258.27036	5.6
259.27310	6.0
292.91068	2.1
303.19675	4.3
320.30640	12.7
321.11185	4.5
321.16882	3.3
321.20596	13.3
321.30865	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.9
55.01871	10.7
55.05503	6.8
57.03432	13.4
59.41499	0.9
66.36046	0.9
67.05499	25.8
69.03407	1.4
69.07062	100.0
69.65553	4.4
77.03928	0.9
77.80543	1.0
79.05489	34.3
81.03416	9.5
81.07049	22.2
82.38862	1.1
83.04979	6.7
83.08608	2.3
90.24927	0.9
91.05471	31.3
93.07034	31.5
95.01332	3.7
95.04958	10.3
95.08595	8.3
97.06516	12.8
105.04486	1.0
105.07019	13.6
107.04942	25.5
107.05658	1.7
107.08575	15.6
109.06512	14.7
109.10152	3.4
111.08067	2.0
115.05436	2.0
116.06217	2.1
117.07008	10.1
119.03366	1.1
119.08594	6.3
121.06539	2.1
121.10145	16.3
123.03159	3.3
123.08067	2.9
123.11662	1.3
125.09650	2.0
127.07513	5.5
129.05466	1.2
129.07002	2.5
131.04877	1.1
131.08553	25.2
133.06480	10.4
133.10112	12.8
135.08047	11.0
135.11684	2.1
136.03928	3.0
137.09628	1.6
139.07501	1.4
145.10120	5.3
147.08023	1.9
147.11652	1.4
148.03941	1.3
149.09602	41.1
150.05569	1.1
150.09969	1.9
151.11168	16.3
154.04982	12.9
157.10083	1.1
157.87712	1.0
159.08069	6.9
159.11646	2.7
161.09633	2.5
163.11200	1.1
165.09039	1.2
168.06537	2.7
171.10155	15.2
173.09665	1.1
173.13196	2.1
177.09103	8.6
182.08122	1.4
183.10150	35.2
184.10477	1.2
186.64720	1.0
187.11142	1.9
201.16397	3.0
216.10356	1.1
219.17392	1.6
228.18036	1.0
229.15831	2.2
235.07301	1.2
247.16939	4.1
259.07211	1.1
261.09161	1.4
263.06961	1.0
287.71436	1.1
289.08447	1.8
304.19055	2.0
306.08563	1.4
307.09375	1.1
321.11093	5.3
321.16690	4.3
321.20581	11.8
322.16589	1.3
322.20145	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	321.2422
Annotation	2alpha,9beta-Dihydroxy-3beta,8beta-oxido-1(15)-trinervitene
Peak:m/z	Relative Intensity
55.01869	1.3
55.05521	8.0
57.03442	1.5
57.07064	4.3
67.05498	13.9
69.07071	7.8
71.04969	1.9
71.08638	2.6
75.19366	1.1
79.05503	6.5
81.07048	17.8
83.04958	2.6
83.08602	4.9
85.06551	2.9
86.62514	1.0
91.05473	5.6
93.07041	11.0
93.52052	1.0
93.90961	1.1
95.08601	18.2
97.06528	2.7
97.10191	3.1
98.22565	2.2
99.08058	2.7
105.07030	4.7
107.08584	6.7
109.06512	16.8
109.10138	6.5
111.08096	2.6
117.07018	2.7
119.08588	6.9
119.09286	1.2
120.06741	1.2
121.06490	1.4
121.10126	7.4
122.07265	1.3
123.08056	54.3
123.11706	3.1
124.08393	3.0
129.07062	1.5
131.08554	2.5
133.10121	2.3
135.08005	7.4
135.11684	2.0
137.09596	3.4
137.13208	1.4
143.08615	1.4
145.10117	3.5
147.11670	3.2
149.09615	2.9
149.13292	1.4
159.11607	2.9
161.05960	1.7
161.13239	2.4
170.53120	1.2
176.98772	1.1
179.14299	60.1
180.14647	3.4
187.14861	1.6
193.16013	1.5
197.13254	1.3
223.16843	1.3
261.21860	2.4
265.17963	15.4
275.23553	1.9
303.23193	7.3
303.26477	2.0
321.24207	100.0
322.24277	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	321.2424
Annotation	11S,12R-EpETrE
Peak:m/z	Relative Intensity
52.01759	2.0
52.38806	2.0
53.03936	5.3
55.01883	5.4
55.05262	3.9
55.05513	57.5
57.03441	2.9
57.07067	8.6
65.03931	3.9
65.14186	2.0
67.05509	39.3
69.03423	24.4
69.07069	72.1
70.07406	2.1
70.45770	2.0
71.04993	19.5
71.08620	3.6
71.31857	4.0
74.36910	2.1
79.05494	33.8
81.03408	9.1
81.07057	100.0
82.07384	3.0
83.04982	21.4
83.08620	13.7
85.06535	13.5
90.82822	2.0
91.05476	29.4
93.07047	83.8
95.04973	94.3
95.08609	84.7
96.05278	3.6
96.08952	2.1
97.06528	18.2
97.09526	3.0
97.10168	45.0
98.10526	2.6
103.05434	2.1
105.07030	58.5
106.07391	2.7
107.04945	3.6
107.08597	74.1
108.08971	4.2
109.02900	2.5
109.06528	38.7
109.09434	3.7
109.10160	54.9
111.04469	3.4
111.08088	13.0
111.11736	12.7
113.05988	3.5
117.07021	5.7
119.08585	43.0
120.08907	2.0
121.06516	7.0
121.10144	80.5
122.10500	3.1
123.08060	10.6
123.11702	29.9
125.09641	12.2
125.83448	2.1
129.07019	2.5
130.07861	2.2
131.08598	13.0
133.10146	25.2
135.08037	9.6
135.11681	34.0
137.06000	6.4
137.09642	13.3
137.13246	7.1
139.07553	15.4
139.11174	24.9
143.08591	3.0
143.10710	4.3
145.02879	2.7
145.10123	22.8
147.08026	3.6
147.11688	44.3
149.09612	12.8
149.13283	13.9
151.11201	12.4
153.00801	2.1
153.12778	8.1
155.10670	5.4
157.10175	5.8
157.12247	8.2
159.08124	3.7
159.11693	21.2
161.13278	17.7
163.11192	20.4
163.14864	6.0
165.09091	7.8
165.12753	27.6
167.07079	2.5
167.10634	2.2
169.10123	2.4
169.12245	3.2
173.13290	8.8
175.11093	2.6
175.14854	6.6
177.05502	6.5
177.12785	6.5
177.16440	5.0
179.14404	4.4
181.12294	5.0
183.10229	4.8
187.07495	4.5
187.14795	12.2
191.14322	3.2
201.16408	4.6
203.14374	3.3
203.18022	2.4
205.15880	6.4
221.18965	2.7
233.07977	3.9
243.13792	2.9
257.22681	5.0
261.08997	2.4
263.19876	2.5
275.23672	13.6
285.22186	13.3
303.12418	3.5
303.15906	4.3
303.23187	71.5
304.23468	5.8
306.08810	3.0
321.11176	12.4
321.16925	4.5
321.20468	4.7
321.24246	94.3
322.25052	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	322.1285
Annotation	dehydrohistidyltryptophyldiketopiperazine
Peak:m/z	Relative Intensity
53.03950	1.1
55.01876	0.9
57.03435	3.6
61.02927	3.4
62.20668	0.5
67.05502	0.7
69.03429	10.7
70.06591	1.1
71.05010	1.2
71.31821	0.8
73.02925	4.4
77.07539	0.5
81.03415	3.5
83.05010	0.6
85.02904	13.8
87.04462	3.7
88.69826	0.5
91.03957	1.4
91.05473	0.6
92.01083	0.4
94.75720	0.5
97.02894	5.7
98.00637	1.0
98.97575	0.5
99.04454	1.6
101.02386	1.1
103.05482	0.8
107.60964	0.4
109.02879	2.2
111.04424	0.6
115.03919	0.4
115.05463	3.9
115.71793	0.5
117.05750	0.9
117.07029	1.2
118.06548	0.6
119.05090	0.4
121.69949	0.5
123.04443	0.7
123.05515	0.7
125.05984	0.5
127.03948	2.5
128.07091	0.4
130.06512	5.2
132.08086	8.8
139.03856	0.8
142.03220	3.2
142.06517	38.5
143.07317	9.3
144.08086	17.6
145.04968	1.1
145.06479	0.9
147.04314	1.0
155.06068	0.8
158.05983	3.8
159.06795	2.5
160.04372	3.5
160.07571	99.8
161.05962	0.6
161.07977	3.2
172.07576	1.0
185.04269	0.6
202.08612	1.6
202.10519	0.9
203.06978	0.7
215.11461	0.9
216.12180	0.8
230.13649	2.5
258.13089	2.0
261.07288	0.6
276.14108	0.6
286.12598	1.1
304.13849	4.7
308.85791	0.6
322.12747	100.0
323.13394	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	322.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.7
55.01868	0.5
55.05507	0.2
57.03431	1.1
61.02923	2.1
65.87414	0.2
68.37620	0.2
69.03430	6.4
71.04990	0.8
71.31055	0.2
73.02907	1.2
79.05512	0.2
81.03033	0.2
81.03432	1.9
81.07067	0.3
82.89109	0.2
85.02902	11.1
87.04460	1.3
91.03947	0.7
91.05518	0.2
93.07019	0.2
97.02897	3.8
99.04445	0.9
107.08632	0.4
109.02875	1.7
111.30634	0.2
115.03938	0.3
115.05447	2.1
116.04955	0.2
125.09644	0.5
127.03918	2.3
127.64088	0.2
140.04951	0.4
142.06516	11.8
143.06889	0.5
145.04962	1.4
151.07492	0.3
153.01749	0.3
160.07571	100.0
161.07924	4.1
167.07068	0.3
226.20236	0.2
260.53894	0.2
276.05792	0.2
305.11282	0.3
322.12814	5.2
323.12720	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.201
Annotation	Croomine
Peak:m/z	Relative Intensity
50.04979	0.3
53.03950	0.4
53.39050	0.4
53.84353	0.4
55.05507	2.3
65.03934	0.6
67.05502	7.7
67.20834	0.3
69.07056	1.4
69.88711	1.5
70.02957	0.9
79.05498	0.7
80.04993	0.9
81.07054	4.6
82.02930	1.3
83.08606	1.3
85.06536	4.2
90.58960	0.3
91.05478	0.7
93.07039	0.9
94.02917	0.8
94.06549	0.4
95.03705	0.7
95.04934	0.5
95.08202	0.3
95.08623	3.0
96.00844	0.5
96.03548	0.4
96.04527	0.4
97.06490	0.6
97.10172	0.8
99.04466	1.9
100.03988	0.5
107.08575	2.2
108.04475	3.0
109.10154	8.9
110.02391	3.3
111.03184	1.2
121.10170	0.9
122.02402	4.6
122.06029	0.5
123.03170	13.6
123.07995	0.4
123.11674	1.3
124.03982	3.3
125.04712	0.6
136.03931	15.5
136.21371	0.4
136.97420	0.3
137.04750	3.9
137.09686	0.6
137.13235	1.1
138.05484	1.8
142.04982	2.3
148.03951	3.1
149.04703	1.0
149.13239	0.4
150.04362	0.7
150.05498	8.7
151.06189	0.9
151.14845	1.7
152.07076	0.6
154.04979	52.0
155.05263	1.3
162.04169	0.7
162.05490	11.7
163.06227	1.1
164.07014	0.6
165.07881	0.9
168.06555	22.1
169.06912	0.7
176.07042	4.3
180.06512	1.3
182.08116	6.3
183.08472	0.4
186.44392	0.4
188.07062	1.0
190.08591	1.1
191.09421	0.8
193.19116	0.4
194.08128	1.4
196.09683	9.9
198.85251	0.4
202.08687	2.5
203.09363	1.4
204.10173	0.7
208.09756	0.4
216.10164	4.0
217.11021	0.6
222.11249	6.2
223.11584	0.7
230.11818	2.9
234.11209	0.7
235.07841	0.4
236.12839	1.2
238.14455	1.0
244.13364	3.5
248.12837	0.6
258.15085	1.8
262.14346	0.5
272.24521	0.4
273.17206	1.1
285.83966	0.4
291.09988	0.4
292.18973	2.0
304.19092	6.2
322.20102	100.0
323.09351	0.9
323.20590	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	322.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.01896	0.6
55.05507	4.7
55.77728	0.6
57.03422	1.1
57.07072	1.2
60.04538	1.3
61.10916	0.6
62.06091	100.0
63.06430	0.7
64.50892	0.6
66.57034	0.5
67.05505	16.5
69.07075	4.1
79.05492	11.0
81.07053	19.5
83.08630	2.4
85.06580	0.7
91.05485	4.6
93.07043	13.0
95.05022	0.8
95.08607	14.8
96.08925	0.6
96.50528	0.6
97.10189	1.8
98.06084	0.7
105.07032	4.8
107.04996	0.7
107.08601	9.2
109.10163	6.8
113.25842	0.6
117.07085	1.8
119.08614	2.6
121.10161	5.0
123.08050	0.7
123.11720	2.5
125.09647	0.9
127.25258	0.6
130.71967	0.6
131.08572	3.4
133.10139	2.4
135.11678	4.3
136.70305	0.7
137.13318	0.8
137.18257	0.7
144.17105	0.6
145.10170	1.7
147.11728	1.6
149.13304	2.2
157.10374	0.6
159.11736	1.7
161.13277	1.4
163.14825	2.1
173.13339	1.9
177.16409	1.2
187.14893	1.1
198.15118	0.7
200.16554	1.0
212.16574	0.9
214.18179	0.9
221.77257	0.6
228.19522	0.8
228.69423	0.6
240.19855	1.0
243.21170	2.8
252.19698	0.9
261.22049	4.5
291.19553	3.6
304.26428	3.0
305.24564	1.3
322.27420	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.5
61.02924	6.4
68.23074	1.7
69.03432	15.3
71.05000	2.3
72.22121	1.5
72.99920	1.6
73.02902	3.9
81.03396	5.6
85.02907	26.6
97.02902	11.5
99.04436	1.8
109.02859	4.3
120.49123	1.7
127.03898	6.1
139.03893	4.9
143.01070	3.6
145.05009	2.6
161.02097	71.3
162.02449	3.1
185.04208	100.0
203.05261	30.9
204.05592	1.8
323.07373	93.0
323.10471	3.6
324.07654	5.2
329.52863	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.9
55.01854	1.8
56.29466	1.5
57.03447	3.8
61.02913	6.7
69.03436	16.8
73.02912	2.3
81.03417	6.1
85.02900	26.4
87.04470	2.4
97.02879	10.8
99.04473	2.8
109.02896	2.6
127.03894	5.5
139.03845	4.7
145.04948	2.1
161.02094	62.2
181.04971	1.9
185.04202	84.0
186.04509	4.1
203.05252	29.9
215.07150	1.6
323.07367	100.0
323.10690	5.5
324.07660	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	323.0737
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21303	3.8
56.50937	3.6
69.03425	4.5
69.23808	29.6
75.58572	3.4
82.28403	4.4
84.08162	6.0
85.02966	6.2
101.00893	7.2
119.01940	12.5
131.01886	4.9
143.01938	6.9
157.03470	7.5
161.02992	10.8
161.10005	8.8
162.11288	13.4
173.02953	8.5
174.88588	4.2
176.51001	4.8
221.03333	6.8
224.95674	7.0
247.06668	5.0
323.07379	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0737
Annotation	Unknow
Peak:m/z	Relative Intensity
62.06084	4.5
69.19859	4.9
71.26552	8.1
86.61071	4.3
161.10136	6.0
162.11328	5.8
216.15982	4.5
216.91142	4.3
270.12030	6.1
291.65179	4.6
323.07397	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.6
55.01868	7.5
61.68507	2.6
65.03941	6.0
67.05494	6.8
68.99800	6.7
69.03432	12.8
70.59626	7.2
71.01346	3.3
79.05505	17.4
81.03412	7.3
83.04972	8.9
84.13491	2.4
85.02905	8.8
86.06072	3.6
91.05464	3.9
93.03403	7.8
93.07048	4.4
95.04974	14.0
97.02905	34.0
99.04458	7.2
107.04937	16.0
109.02871	6.5
111.00797	5.0
111.04441	18.0
119.04989	2.3
121.02858	5.0
121.06514	3.2
123.04434	27.3
127.03925	10.0
131.04904	4.3
132.06525	4.3
133.06483	2.7
135.04437	11.0
137.05942	3.2
139.03896	100.0
145.06490	5.1
151.03914	21.3
151.07507	2.6
153.01823	4.3
155.03461	4.2
159.04495	3.3
161.02110	15.3
161.06038	2.9
163.03918	24.0
165.05437	3.8
175.03926	3.1
177.05501	2.7
179.03378	17.3
181.04939	36.0
181.06404	3.7
185.04233	22.1
185.05724	4.2
187.07646	3.0
189.05394	3.9
191.07024	2.9
201.05504	11.1
203.05255	5.4
212.04703	7.8
213.05502	7.4
215.07036	6.9
216.04059	3.5
217.04906	5.0
231.06546	4.6
240.04196	13.8
241.04971	6.0
243.06483	14.6
245.04349	3.4
259.05801	11.8
261.07584	19.0
263.10532	4.6
269.04407	55.3
277.07202	7.6
287.05466	40.4
290.40109	2.9
305.06451	13.5
323.01639	2.5
323.07318	27.6
323.11316	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	323.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50202	0.9
61.63001	0.8
69.03415	1.3
69.04678	7.4
81.07046	1.1
84.08139	1.0
85.60612	0.8
91.05459	1.1
95.04954	0.9
98.23348	1.7
121.75718	0.9
124.70181	0.8
142.06479	1.1
143.06847	1.9
156.06630	0.8
161.05919	1.0
161.07956	1.1
167.07184	0.9
190.09818	2.0
197.06219	0.8
201.49126	0.8
209.08179	1.3
241.16702	1.0
263.09125	1.8
291.09741	0.9
305.10257	1.4
323.10986	100.0
324.11157	5.2
324.15576	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1274
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
53.03954	0.7
53.62244	0.7
55.01878	0.7
55.05499	0.8
62.99088	0.6
67.05491	1.4
68.90776	0.7
69.07066	1.4
69.44504	4.0
71.04985	0.9
79.05469	2.9
81.07044	2.2
90.95664	0.7
91.05473	2.1
93.07032	2.1
94.04177	1.6
95.04957	0.9
95.08585	0.9
103.05460	1.9
104.54395	0.6
105.07032	14.0
107.04935	1.3
109.06519	2.2
109.10107	0.8
115.05452	4.4
118.04197	0.9
119.08507	1.0
121.10128	1.2
122.03629	2.6
123.04469	0.7
128.06189	1.2
129.07051	1.0
131.04903	1.5
133.06493	8.8
133.10146	0.7
135.08041	1.3
137.05975	26.5
138.06252	0.8
139.07661	0.7
141.06938	0.8
145.06494	0.9
146.03645	5.3
149.05992	1.1
159.08066	1.1
161.05968	72.1
162.06348	2.6
165.07002	0.9
167.04919	0.8
168.05681	0.9
169.06497	0.8
171.08128	1.2
175.07571	1.6
178.07745	0.8
184.05206	2.6
187.07559	0.9
189.06987	1.3
191.08507	3.6
192.09293	3.3
193.10133	0.9
196.48352	0.7
199.07532	14.4
200.07858	1.0
202.07771	22.1
203.08530	34.6
204.07291	0.7
204.08937	3.1
205.06435	3.4
205.10194	0.8
206.07190	1.2
207.08080	1.7
213.07022	1.5
215.08565	2.2
218.07283	1.4
219.08015	10.6
220.08784	11.7
221.09296	1.1
228.10930	0.7
230.07222	4.6
231.08028	51.9
232.08737	12.5
233.05942	2.1
233.09505	2.3
234.06631	1.4
234.10281	1.0
235.11174	2.2
235.88017	0.7
237.09062	1.7
241.06493	1.0
243.08104	0.9
245.09660	2.2
246.10219	0.6
247.07568	8.9
248.08284	25.8
248.10844	1.2
249.09036	3.3
258.06714	4.1
259.07523	42.6
260.08270	27.3
261.08817	3.2
262.06339	0.7
262.09918	1.7
263.10648	23.1
264.11011	1.8
265.08536	2.7
273.09091	1.0
274.09586	0.9
275.07034	5.1
275.09705	0.9
276.07785	21.8
277.08517	6.2
290.09454	1.1
291.10129	100.0
292.10608	12.3
293.07980	3.4
295.10083	0.7
295.13269	2.6
307.09637	0.8
308.10333	4.4
323.12735	51.9
323.18265	33.5
324.13055	4.5
324.18576	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.9
55.05499	1.6
57.07051	0.4
59.05027	0.4
67.05499	2.5
69.03420	0.5
69.07059	2.3
71.04986	0.7
79.05513	2.2
81.03394	0.6
81.07066	2.7
83.04978	0.9
83.08606	0.8
85.06548	0.8
88.48754	0.4
91.05478	1.7
92.82888	0.4
93.07057	2.1
95.04970	0.8
95.08591	2.1
97.06523	0.9
97.10161	0.8
98.23437	0.8
105.07029	1.7
107.04966	0.6
107.08591	2.1
109.02866	0.4
109.06525	0.6
109.10136	1.5
111.04435	0.5
115.05430	0.4
117.07018	0.5
119.08585	1.3
121.06454	0.9
121.10147	1.6
123.11759	0.9
125.09630	0.7
129.06999	0.6
131.08542	0.4
133.06444	0.5
133.10118	1.1
135.08067	0.9
135.11739	0.8
137.05945	0.8
137.09581	0.7
139.07544	0.5
139.11148	0.5
140.84657	0.4
149.09605	0.6
149.13284	0.7
151.07484	0.7
153.09065	1.1
159.11620	0.8
161.05962	0.6
163.11234	0.9
167.07054	0.7
168.16878	0.4
187.14888	0.4
203.08591	0.8
218.20586	0.4
219.08029	0.4
231.08110	0.4
259.07510	0.8
259.16855	0.5
263.10519	0.5
287.16504	1.0
291.10141	1.3
305.17542	0.8
308.10095	0.4
323.18280	100.0
324.18677	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	323.1851
Annotation	beta-Zearalanol
Peak:m/z	Relative Intensity
53.03943	3.8
55.01871	24.4
55.05510	45.8
55.05783	2.5
56.05843	1.8
57.03437	8.5
57.07072	3.3
57.12975	1.8
59.05019	1.7
65.03944	4.0
67.05504	41.5
69.03444	7.5
69.07069	47.9
70.89584	1.7
71.04989	7.6
71.33085	1.7
79.05491	51.8
79.05946	2.7
80.05843	2.5
81.03443	5.8
81.07057	45.4
83.01364	2.2
83.04976	37.0
83.05426	2.9
83.08617	20.2
85.02906	11.3
85.06566	5.3
89.37791	1.5
91.05473	25.6
93.07040	56.2
93.07581	3.4
94.06580	2.1
95.04977	10.3
95.08598	30.5
95.09113	1.9
96.08992	1.8
97.06525	26.1
97.07085	1.7
97.10161	30.3
97.10722	1.8
99.04458	7.7
99.08113	2.3
103.05482	2.7
105.07029	20.4
107.04956	8.8
107.08588	32.2
109.02857	7.9
109.06513	11.0
109.10150	12.8
111.04437	72.0
111.08070	10.9
111.72921	1.7
112.04807	2.2
113.06055	1.7
115.05486	2.9
115.07590	4.7
117.07001	13.5
119.08592	17.9
121.06522	11.0
121.10152	12.9
123.04436	1.9
123.08073	16.2
123.11756	5.2
125.05994	11.6
125.09622	35.1
125.10477	1.9
126.10059	2.2
127.03969	2.4
129.05463	8.1
129.07054	5.4
131.08568	12.6
133.06544	7.6
133.10133	13.1
134.09750	1.5
135.08041	19.4
135.11687	16.2
136.11263	1.8
137.02399	5.7
137.06021	4.4
137.09608	2.4
139.07535	30.1
139.08531	2.0
139.11232	5.4
143.08627	7.1
143.10728	2.3
145.06532	2.3
145.10164	12.3
147.08115	7.5
147.11732	6.2
149.06050	3.9
149.09598	8.4
149.13228	3.9
151.07536	28.3
151.11259	3.3
153.09102	100.0
153.12729	32.7
154.09529	4.9
155.08556	2.3
157.10217	5.3
159.08089	3.3
159.11734	4.2
161.05969	3.5
161.09630	8.9
161.13344	3.5
163.07594	2.5
163.11162	10.0
165.09186	3.8
167.07034	29.7
167.10768	3.3
167.14270	9.0
169.08626	8.3
171.10226	8.0
171.11792	6.9
173.09755	5.1
173.13251	1.9
175.11343	2.8
175.14812	2.1
179.07118	7.5
179.10683	3.1
181.08661	3.9
181.10521	2.1
181.12210	18.4
181.15923	2.3
185.08211	3.8
187.11307	2.5
189.11261	8.2
189.12706	2.7
191.10751	3.8
195.10237	2.5
199.07663	1.8
199.11287	3.5
207.10257	5.8
207.13890	3.4
209.11621	8.2
209.15437	1.9
213.16580	2.6
221.11740	2.8
222.09074	1.6
223.14886	2.7
227.12726	26.4
231.17459	3.8
235.13434	5.6
241.16046	4.6
249.18712	5.4
251.07265	1.8
251.11177	2.6
259.17075	19.1
263.10770	3.2
263.13257	2.3
263.16367	2.4
269.15417	2.5
277.18057	39.6
278.18506	2.1
280.07358	1.9
281.12000	1.6
287.16464	16.4
291.10303	3.9
295.19257	5.8
304.08929	1.8
305.17581	48.9
305.24982	2.5
323.09311	4.5
323.12823	8.4
323.18640	73.3
324.19092	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	323.2216
Annotation	Rapanone
Peak:m/z	Relative Intensity
51.76372	1.4
55.01870	3.6
55.05511	9.2
56.94531	1.3
57.03438	24.9
57.07067	3.6
58.01998	1.3
65.03923	2.4
67.05502	28.5
69.03422	1.9
69.07066	6.6
71.04993	4.7
71.32672	2.4
79.05486	14.0
81.03373	1.2
81.07055	15.5
83.03230	1.2
83.04988	1.6
83.08620	4.3
85.06536	29.7
91.05469	13.8
91.05921	1.5
93.07039	11.8
95.04962	28.4
95.08596	11.8
97.06537	3.5
97.10161	1.7
99.04425	1.3
99.81622	1.2
105.07030	9.8
107.04945	3.6
107.08585	12.8
109.06513	24.2
109.10165	6.8
110.72102	1.6
111.08054	2.3
113.05997	100.0
113.09642	2.5
117.07021	5.8
119.08559	8.8
121.06493	3.0
121.10148	5.4
122.85869	1.4
123.04422	1.8
123.08060	3.4
123.11703	1.8
125.05992	1.3
125.09592	1.4
128.06233	1.5
129.06989	3.0
131.08549	7.1
133.10103	6.5
135.08049	57.6
135.11717	3.7
137.09608	2.3
143.08578	3.9
145.10136	5.5
147.08017	2.1
147.11720	2.2
149.09622	4.2
149.13257	1.9
151.07578	1.8
151.11232	1.7
155.08559	1.4
157.10168	3.0
159.08028	2.5
159.11697	3.6
161.09645	5.2
161.13246	1.5
162.09973	1.3
162.98517	1.3
163.11168	2.2
165.12848	1.3
169.10187	2.1
171.11702	1.9
173.13290	2.8
173.75459	1.3
175.11208	2.6
177.12799	1.4
181.10156	1.5
183.11736	1.4
185.13239	2.8
187.14778	1.6
189.12909	1.7
195.11812	1.8
197.06255	4.0
199.07516	1.6
199.14833	1.4
201.12862	2.1
211.09616	12.8
217.15871	8.2
230.18112	1.4
248.08195	2.0
255.17436	2.5
259.07712	1.3
273.18524	10.4
291.10168	3.0
291.19528	30.3
292.19910	3.3
295.13303	2.0
305.21161	2.0
305.24692	1.7
308.10077	1.4
323.09247	3.0
323.12744	8.1
323.16232	1.8
323.23083	1.6
323.27206	2.1
324.23602	4.8
324.28632	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	323.258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.2
55.01862	3.7
55.05508	18.3
55.59924	1.2
57.03432	3.5
57.07072	4.6
62.56426	1.1
64.70142	1.2
65.03941	3.1
67.05505	48.3
69.07072	18.4
70.81926	2.0
70.82256	1.9
71.04980	2.5
71.08630	53.1
72.08951	1.1
79.05492	41.5
81.03402	6.9
81.07054	52.9
82.07403	1.2
83.04979	12.5
83.08613	13.3
83.74633	1.2
85.06534	4.4
91.05478	29.9
92.05807	1.3
93.07042	60.2
95.04966	8.8
95.08603	42.5
97.06530	9.8
97.10155	4.0
99.08097	42.9
99.08635	0.8
99.91059	1.4
100.08423	1.3
105.07021	17.6
107.04946	7.2
107.08589	31.9
107.09268	2.4
109.06503	3.8
109.10157	13.6
111.08079	3.6
113.09656	3.3
117.07001	3.4
119.05994	1.2
119.08576	16.2
121.06567	1.3
121.10138	25.5
123.08024	1.9
123.11694	3.5
125.09606	1.9
127.11206	1.5
129.07043	1.9
131.08545	5.7
133.10124	12.7
135.11694	35.1
137.09619	4.6
139.11176	2.4
141.09116	4.8
143.08562	2.0
145.10150	6.0
147.11702	5.0
149.09653	1.7
149.13252	11.0
151.11165	20.0
153.12695	3.6
157.10100	3.0
159.11711	3.3
161.13258	10.7
163.11211	6.7
163.14832	3.0
167.10715	2.3
171.11713	2.6
173.13304	2.2
175.14871	2.4
177.12775	3.7
179.14302	100.0
180.14740	3.1
185.13179	1.4
189.12779	1.4
195.13911	1.7
199.14833	1.8
221.15425	3.3
235.16908	3.8
241.19601	1.8
257.17184	1.5
259.20609	5.0
277.21619	41.1
278.22125	1.7
323.25888	2.1
323.75769	1.2
334.21100	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.0
54.91187	2.5
55.01865	4.5
57.03434	4.3
57.07064	3.7
61.02933	2.7
64.14398	2.5
67.05492	5.0
69.03422	8.7
69.23940	11.7
69.24356	11.1
71.04993	16.4
75.19785	3.2
79.05485	5.3
81.03409	14.4
81.07026	3.8
85.02913	22.4
91.05485	4.8
93.07020	4.2
95.08591	3.5
97.02886	7.8
103.05460	5.8
107.08560	6.2
109.02871	6.6
109.10155	6.1
121.06458	5.1
121.10152	6.1
127.03935	5.6
127.11201	28.0
135.04373	3.1
135.08058	8.2
135.11681	4.2
137.05969	19.1
145.04939	5.4
145.12234	100.0
147.09151	4.3
151.07484	5.3
163.03874	12.0
163.07541	10.9
201.09143	4.1
249.67786	2.9
324.15823	3.8
324.18918	5.6
325.14359	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	324.2168
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
53.03928	0.9
55.01864	0.7
55.05498	2.1
56.05030	0.6
57.03423	0.8
57.07088	0.8
58.43026	0.5
64.69451	0.6
67.05504	5.2
67.35167	0.5
69.03438	0.6
69.07063	11.4
69.52216	2.7
71.04984	0.8
74.58575	0.5
76.41335	0.5
79.05482	5.5
81.07053	9.7
83.04976	3.7
86.09701	100.0
87.10023	1.6
91.05473	8.7
91.31164	0.5
92.52569	0.5
93.07037	12.9
95.04964	4.5
95.08610	3.2
97.06557	0.8
105.07024	14.4
107.04952	1.7
107.08580	4.8
109.06507	10.3
109.10159	1.9
111.08062	2.8
117.06992	0.7
119.08568	4.9
121.06500	1.4
121.10166	1.5
123.08052	1.8
123.11720	0.6
128.10709	4.5
129.07008	1.3
131.08562	4.1
132.10193	27.0
132.11194	1.4
133.06514	1.1
133.10117	17.1
134.10495	0.7
135.07964	0.7
137.05966	0.6
147.08099	0.7
147.11676	11.4
148.12169	0.6
149.09622	1.2
149.13300	0.6
151.07585	3.1
151.11168	39.9
152.11525	1.5
156.10263	0.8
157.10181	0.6
165.12779	1.8
175.11180	3.5
193.12236	4.4
203.11150	0.6
222.14862	1.5
260.20102	5.3
273.18402	1.3
278.21133	23.8
279.21506	2.1
306.20663	5.8
324.21655	11.9
325.10602	1.2
325.14145	0.8
325.19876	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72945	0.5
56.96558	0.5
60.95839	0.6
69.03417	1.1
71.12263	0.7
85.02905	5.8
90.55602	0.5
97.02885	1.4
102.96873	1.6
127.03916	1.6
139.83244	0.5
145.04965	1.3
145.07610	1.1
162.02866	1.3
163.08633	1.0
185.04251	2.0
283.06848	1.0
310.05493	0.7
325.08917	100.0
326.09268	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	325.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36313	0.4
53.03944	0.6
55.05505	1.4
57.07066	1.1
65.03925	1.7
66.04710	0.6
67.05502	19.5
68.05839	0.5
69.03412	1.0
69.07060	2.0
69.24811	1.0
69.25220	1.6
71.08632	0.7
77.03937	0.3
77.38709	0.4
79.05489	5.0
81.07055	3.6
83.04943	0.7
83.08619	1.3
91.05486	1.6
93.07020	1.8
94.04182	0.9
95.04412	0.7
95.04967	8.2
95.05535	0.7
95.08597	3.3
97.06519	0.6
97.10184	0.8
103.05466	1.1
105.07045	1.5
107.04948	1.8
107.08595	1.6
109.02869	1.3
109.06512	1.3
109.10163	1.7
115.05425	0.7
117.06995	0.4
118.04176	0.9
119.08613	1.1
121.02893	0.4
121.06531	0.4
121.10140	1.5
122.03656	0.8
123.08041	0.6
123.11677	0.5
128.03125	0.4
131.04892	0.4
131.08582	0.8
132.05733	1.1
133.06487	11.2
133.10124	1.0
135.04407	21.2
135.07990	0.7
135.11690	1.0
136.04799	0.6
137.02287	0.5
137.05965	3.8
137.09633	0.5
141.07034	0.5
143.08524	0.6
145.10124	0.9
149.05984	1.1
150.03090	1.4
151.03880	0.8
151.07507	0.7
153.05409	2.1
157.10162	0.7
158.07259	0.3
159.04391	0.6
159.08061	0.7
161.05981	0.8
163.03902	7.5
165.05566	0.5
165.06989	0.4
167.03427	0.6
168.04178	3.6
169.06363	0.5
171.11633	0.4
173.09618	0.9
173.13213	0.5
177.01753	0.4
177.05437	0.5
178.07838	0.4
181.04955	12.9
183.06488	1.0
183.11684	1.0
185.13223	0.5
187.07539	0.7
190.07744	0.4
193.04935	2.7
195.08092	0.7
195.11740	0.6
196.08900	0.7
197.13351	0.6
201.05472	0.6
201.09111	1.4
205.06491	0.4
205.10220	0.7
207.08028	0.5
211.06062	1.3
218.07387	0.5
220.65555	0.4
221.09608	1.1
222.10468	0.4
223.14853	0.5
224.08353	0.6
225.16273	0.5
233.09637	1.8
235.07599	1.3
236.08369	0.4
238.06133	0.4
239.06999	0.9
239.10632	1.1
241.08575	0.8
249.09090	0.5
250.09892	1.0
251.07265	0.5
251.10661	1.2
252.07846	5.7
253.08578	3.2
254.09380	1.2
255.17523	0.5
261.09134	0.7
263.07068	0.6
265.08655	0.5
265.12225	1.7
267.06616	0.7
267.10172	1.5
268.10910	0.5
277.08585	0.7
278.09406	1.1
279.10162	0.6
279.21201	0.6
279.70914	0.4
280.07312	3.0
281.08060	13.6
282.08820	14.6
283.09454	1.6
283.13251	0.4
284.10480	0.5
292.10965	0.4
293.08383	0.6
293.11710	3.6
294.12289	0.7
295.09628	41.5
296.09964	3.2
297.11221	1.2
297.14603	0.4
307.09705	0.5
307.13120	0.8
309.07574	3.9
310.08356	13.9
310.11945	1.3
311.08600	0.8
311.12448	0.6
325.10706	100.0
325.14276	10.1
325.24979	2.5
325.76392	0.5
326.11047	8.2
326.14963	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1068
Annotation	Vitexdoin C
Peak:m/z	Relative Intensity
50.36313	0.4
53.03944	0.6
55.05505	1.4
57.07066	1.1
65.03925	1.7
66.04710	0.6
67.05502	19.5
68.05839	0.5
69.03412	1.0
69.07060	2.0
69.24811	1.0
69.25220	1.6
71.08632	0.7
77.03937	0.3
77.38709	0.4
79.05489	5.0
81.07055	3.6
83.04943	0.7
83.08619	1.3
91.05486	1.6
93.07020	1.8
94.04182	0.9
95.04412	0.7
95.04967	8.2
95.05535	0.7
95.08597	3.3
97.06519	0.6
97.10184	0.8
103.05466	1.1
105.07045	1.5
107.04948	1.8
107.08595	1.6
109.02869	1.3
109.06512	1.3
109.10163	1.7
115.05425	0.7
117.06995	0.4
118.04176	0.9
119.08613	1.1
121.02893	0.4
121.06531	0.4
121.10140	1.5
122.03656	0.8
123.08041	0.6
123.11677	0.5
128.03125	0.4
131.04892	0.4
131.08582	0.8
132.05733	1.1
133.06487	11.2
133.10124	1.0
135.04407	21.2
135.07990	0.7
135.11690	1.0
136.04799	0.6
137.02287	0.5
137.05965	3.8
137.09633	0.5
141.07034	0.5
143.08524	0.6
145.10124	0.9
149.05984	1.1
150.03090	1.4
151.03880	0.8
151.07507	0.7
153.05409	2.1
157.10162	0.7
158.07259	0.3
159.04391	0.6
159.08061	0.7
161.05981	0.8
163.03902	7.5
165.05566	0.5
165.06989	0.4
167.03427	0.6
168.04178	3.6
169.06363	0.5
171.11633	0.4
173.09618	0.9
173.13213	0.5
177.01753	0.4
177.05437	0.5
178.07838	0.4
181.04955	12.9
183.06488	1.0
183.11684	1.0
185.13223	0.5
187.07539	0.7
190.07744	0.4
193.04935	2.7
195.08092	0.7
195.11740	0.6
196.08900	0.7
197.13351	0.6
201.05472	0.6
201.09111	1.4
205.06491	0.4
205.10220	0.7
207.08028	0.5
211.06062	1.3
218.07387	0.5
220.65555	0.4
221.09608	1.1
222.10468	0.4
223.14853	0.5
224.08353	0.6
225.16273	0.5
233.09637	1.8
235.07599	1.3
236.08369	0.4
238.06133	0.4
239.06999	0.9
239.10632	1.1
241.08575	0.8
249.09090	0.5
250.09892	1.0
251.07265	0.5
251.10661	1.2
252.07846	5.7
253.08578	3.2
254.09380	1.2
255.17523	0.5
261.09134	0.7
263.07068	0.6
265.08655	0.5
265.12225	1.7
267.06616	0.7
267.10172	1.5
268.10910	0.5
277.08585	0.7
278.09406	1.1
279.10162	0.6
279.21201	0.6
279.70914	0.4
280.07312	3.0
281.08060	13.6
282.08820	14.6
283.09454	1.6
283.13251	0.4
284.10480	0.5
292.10965	0.4
293.08383	0.6
293.11710	3.6
294.12289	0.7
295.09628	41.5
296.09964	3.2
297.11221	1.2
297.14603	0.4
307.09705	0.5
307.13120	0.8
309.07574	3.9
310.08356	13.9
310.11945	1.3
311.08600	0.8
311.12448	0.6
325.10706	100.0
325.14276	10.1
325.24979	2.5
325.76392	0.5
326.11047	8.2
326.14963	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1069
Annotation	6'-O-Desmethylterphenyllin
Peak:m/z	Relative Intensity
53.03939	0.4
53.04377	0.2
55.01856	0.3
55.05507	0.4
65.03944	2.1
67.01845	0.3
67.05504	18.6
68.05820	0.3
68.99776	0.4
69.03429	0.4
69.07061	0.3
79.05496	4.0
81.03394	0.5
81.07041	0.9
89.03910	0.3
91.05463	1.1
92.02631	0.3
93.03397	0.3
93.07010	0.5
94.04165	0.5
95.04967	8.4
95.08585	0.9
103.05469	4.1
105.04471	0.2
105.07007	0.8
107.04938	2.4
107.08607	0.4
108.05753	0.3
109.02878	1.3
109.06520	0.5
109.10159	0.2
115.05491	0.2
117.03378	0.5
117.07057	0.2
118.04142	0.6
119.04926	0.4
121.02814	0.2
121.06493	0.3
122.03629	1.1
123.08067	1.0
125.05975	0.3
129.85713	0.2
131.04956	1.2
132.05711	1.0
133.06487	13.2
135.04413	25.7
135.08011	0.4
136.04727	0.7
137.02325	0.4
137.05968	2.3
145.06477	0.2
147.04364	0.5
149.02350	0.8
149.05984	0.6
150.03101	2.6
151.03908	1.5
151.07512	1.4
153.05486	1.4
155.04878	0.4
158.07275	0.2
159.04384	0.9
161.05995	0.5
163.03900	10.3
163.07492	1.1
164.04224	0.2
164.08357	2.6
165.05510	0.8
165.06870	0.3
167.03391	0.7
168.04205	3.1
173.06046	0.4
173.09689	0.2
177.01797	0.4
179.08540	0.3
181.04953	11.8
181.06363	0.5
182.05309	0.5
183.04411	0.3
183.06509	0.7
183.08035	0.4
187.03918	0.3
188.04565	0.2
191.08615	0.3
193.04968	2.4
195.02850	0.4
195.07988	0.3
196.08846	0.7
201.05540	1.0
201.09169	0.4
208.08839	0.2
210.06779	0.3
211.05994	0.8
211.07692	0.4
211.11137	0.3
221.09613	0.9
223.07646	0.3
224.08401	0.5
225.09093	0.3
236.08360	0.2
238.06216	0.4
239.07025	1.1
239.10756	1.2
241.08601	0.4
249.05403	0.2
251.07037	0.6
252.07832	5.4
253.08603	3.3
254.09422	1.2
261.09131	0.4
265.08578	0.3
267.06509	0.7
267.10104	0.9
279.10150	0.3
280.07294	3.8
281.08084	14.8
282.08847	14.8
283.09552	1.8
295.09637	43.2
296.09927	2.9
297.11191	1.2
307.09558	0.7
309.07541	4.6
310.08334	15.4
311.08737	1.1
325.10684	100.0
325.16177	4.2
326.11020	7.5
326.16650	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1069
Annotation	Vitexdoin C
Peak:m/z	Relative Intensity
51.02380	1.6
53.03944	2.6
55.01873	3.7
55.05514	2.4
65.03946	2.3
67.05507	14.7
68.99796	1.5
69.03431	2.0
69.07071	2.9
69.70523	4.3
71.04983	1.2
77.03948	1.0
79.05487	6.3
81.03419	0.9
81.07060	5.5
81.73121	0.8
83.08637	1.2
85.02920	1.3
89.03919	4.0
91.05479	9.6
93.07024	4.1
94.04210	1.7
95.04973	8.8
95.08619	3.8
97.02920	1.0
103.05468	100.0
104.05753	1.2
104.06334	1.2
105.04498	1.1
105.07058	5.3
107.04950	6.9
107.08604	2.4
109.02891	1.9
109.06532	2.2
109.10191	3.0
111.04438	0.8
111.08058	1.0
115.05460	2.5
117.03394	5.9
117.07005	4.3
119.04956	5.9
119.08620	1.1
121.06490	4.7
121.10161	2.1
122.03647	3.1
123.04485	1.2
123.11700	2.4
127.05466	1.7
129.07022	0.9
131.04927	35.6
131.08591	0.9
132.05681	3.1
133.02852	1.7
133.06503	10.0
135.04410	22.2
135.08078	3.7
135.11668	1.3
137.05980	51.3
138.06308	1.1
139.11180	1.1
140.92097	0.8
141.07010	1.1
143.04855	0.9
145.02881	4.8
145.06483	8.6
145.10069	0.9
146.03592	1.0
147.04395	9.8
147.08086	1.2
148.05276	1.6
149.02428	0.9
149.05991	23.2
150.03130	1.4
151.03915	30.6
151.05022	3.5
151.07524	5.2
155.04916	13.6
155.06058	1.8
159.04384	3.9
161.02353	2.3
161.05977	2.2
163.03905	23.2
163.05304	1.1
163.07536	24.4
163.11215	1.2
164.08333	64.3
165.08702	3.8
168.04185	1.2
171.11664	0.8
173.05984	21.8
174.06415	0.9
175.03941	1.5
175.07524	1.1
179.07036	3.0
179.08487	1.1
180.07799	2.7
181.04965	7.3
181.06297	0.9
183.04416	8.1
186.06743	1.1
187.03857	7.2
187.07584	1.1
188.04645	4.0
190.07874	3.4
191.08562	3.3
193.04996	2.2
197.05965	1.0
201.05470	35.6
201.08990	4.5
202.05888	2.7
205.06479	2.2
218.07292	3.0
219.08124	6.0
221.05986	1.9
221.09692	1.0
222.06786	1.4
223.07532	1.3
227.07059	1.1
229.06500	2.8
233.05942	2.6
233.09634	1.1
235.07603	2.0
236.08305	2.1
237.09106	2.5
239.07005	1.6
246.06758	3.0
247.07542	8.4
248.08148	1.1
249.05362	3.8
249.09094	1.0
250.06192	1.9
251.07025	2.0
251.10779	1.8
252.07787	5.4
253.08598	2.1
254.09494	1.4
257.06012	2.5
261.09161	4.3
263.07043	2.8
264.07782	5.3
265.08618	5.7
265.12347	1.2
267.06439	1.2
274.06152	1.3
275.07147	6.0
275.09793	1.1
277.05002	1.0
278.09332	1.1
279.10278	3.4
280.07336	1.9
281.08124	12.5
282.08859	11.5
283.09500	5.2
289.08453	4.9
290.08936	1.3
292.07376	6.0
293.07986	3.3
293.11713	2.3
295.06387	1.0
295.09622	27.5
296.10056	2.5
297.11264	3.1
307.09647	25.2
308.10043	2.5
309.07568	3.3
310.08386	11.3
310.11755	1.4
311.08661	1.0
325.10709	83.1
325.14322	9.2
326.10974	7.0
337.86581	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1069
Annotation	Vitexdoin C
Peak:m/z	Relative Intensity
51.02366	0.9
53.03928	4.0
55.01860	4.0
55.05505	0.9
55.35393	0.7
65.03931	1.5
67.05505	3.1
69.03425	3.4
69.07064	1.3
71.05002	1.5
71.32381	1.0
77.03933	2.0
79.05500	6.3
81.03419	9.7
81.07050	4.9
83.04964	1.1
83.08628	1.4
85.02873	1.6
89.03925	5.6
91.05487	9.6
93.07043	3.6
94.04163	1.7
95.04961	3.9
95.08609	2.6
97.06532	1.6
99.04443	1.6
100.11253	3.3
103.05465	100.0
104.05739	2.1
104.06365	0.9
105.07027	5.4
107.04945	6.9
107.08583	3.6
109.02864	4.4
109.06512	2.5
109.10184	0.8
110.06022	1.0
111.04418	1.5
115.05444	3.2
117.03391	4.6
117.07023	2.8
119.04950	6.6
119.08562	2.2
119.90353	0.8
121.06509	5.6
121.10146	1.7
122.03649	2.7
123.04409	1.7
123.08015	1.8
127.03924	1.7
129.07033	0.8
131.04922	39.0
132.05682	2.3
133.02847	6.3
133.06493	2.1
133.10062	0.9
134.56303	0.9
135.04410	8.8
135.08058	7.5
135.11696	1.8
137.05972	43.1
138.06371	1.0
141.07039	1.7
145.02872	6.2
145.06490	3.6
145.10023	0.8
146.03650	1.4
147.04413	10.6
147.08067	1.7
148.05194	1.6
149.05984	22.5
151.03885	3.5
151.07578	5.2
155.04921	2.1
159.04410	2.5
161.02364	1.5
161.05986	5.3
162.06740	1.7
163.02606	1.6
163.03899	19.3
163.07533	28.1
163.08873	1.7
164.08330	68.6
165.05521	2.1
165.07053	2.2
165.08739	2.5
168.24922	0.9
169.06470	2.4
170.67909	0.8
173.06001	4.6
175.07535	2.2
176.06372	0.9
177.05449	0.8
177.06926	1.5
179.07031	2.6
180.07790	4.0
181.04958	7.6
181.06403	1.3
183.04401	1.5
187.03929	6.7
188.04672	3.0
189.07024	2.7
190.07753	5.5
191.08594	6.8
194.07301	2.2
201.05457	14.8
201.09064	4.1
203.08633	1.4
205.06477	5.4
205.10114	2.7
207.08020	1.4
218.07341	4.4
219.08020	10.3
220.08516	1.4
221.06017	4.3
222.06697	2.8
223.07469	1.2
227.06969	1.0
229.06346	1.1
232.08870	1.0
233.06044	4.1
233.09613	4.9
234.06461	0.9
235.07544	4.4
236.04620	1.3
236.08295	3.5
237.05560	1.7
237.09059	3.6
238.06155	1.0
239.06973	1.3
246.06685	1.3
247.07530	12.2
248.08147	2.4
249.05478	3.4
249.09187	0.9
250.06149	4.0
250.09969	1.3
251.07072	2.1
251.10609	1.6
252.07687	1.2
253.08662	2.0
257.05981	1.3
261.09036	3.9
262.09796	1.0
263.06897	4.4
264.07800	9.6
265.08554	9.6
265.12222	3.5
269.08142	1.1
275.07056	10.8
276.07886	2.4
277.04996	1.0
277.08466	1.0
278.09335	2.0
279.06778	1.5
279.10132	5.7
281.07956	2.2
282.08954	1.5
283.09543	3.1
284.10416	1.1
289.18094	1.9
292.07230	9.0
293.08035	5.9
293.11682	9.8
294.08563	1.2
294.12250	1.7
295.09601	3.4
296.10358	1.8
297.11142	2.6
307.09668	31.1
307.15161	1.2
307.93628	0.8
308.10098	3.3
310.08270	0.9
310.11954	2.6
324.23737	1.4
325.10574	21.1
325.14328	26.1
325.19980	2.0
325.23642	1.5
326.11093	1.5
326.14523	1.5
326.28107	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1069
Annotation	Neoraunone
Peak:m/z	Relative Intensity
51.02361	0.6
53.03942	1.7
55.01873	2.2
55.05507	3.4
57.03436	0.8
57.07068	1.2
60.83139	0.4
63.02382	0.4
63.41202	0.4
65.03941	0.5
67.05496	4.8
69.03421	1.4
69.07068	8.3
70.51048	0.4
71.04968	1.2
71.05293	0.6
72.18067	0.5
77.03925	1.2
78.04704	0.4
79.05491	4.4
79.20509	0.4
81.03418	1.7
81.07055	12.6
83.04961	1.8
83.08616	2.5
85.02883	2.4
85.06519	0.8
89.03916	4.6
91.05472	6.8
93.06454	0.5
93.07040	8.3
93.80701	0.4
94.04169	1.1
95.04952	3.7
95.08607	9.6
97.02885	0.7
97.06525	1.5
97.10180	0.8
99.04419	0.7
99.08115	0.6
99.88186	0.4
102.04642	0.5
103.05463	100.0
104.05789	1.9
104.06290	1.5
105.03406	0.8
105.04487	0.4
105.07023	3.4
107.04940	5.4
107.08596	4.3
109.02848	0.7
109.06509	1.8
109.10156	6.2
111.08057	3.4
111.11707	1.1
115.05452	1.2
117.03381	5.4
117.07021	2.1
119.04932	5.1
119.08595	1.5
121.02854	0.8
121.06509	3.7
121.10146	4.4
122.03652	1.9
123.08054	1.1
123.11705	2.8
125.06015	0.5
125.09572	1.0
127.03928	0.6
127.11213	0.6
131.04919	35.3
131.08580	0.6
132.05649	1.9
133.02849	1.7
133.06496	2.4
133.10133	1.6
135.04404	9.2
135.08034	3.2
135.11688	2.8
137.05969	37.8
137.13222	0.9
138.06355	1.0
139.11183	1.2
140.05876	0.5
141.07043	0.6
145.02876	4.7
145.06502	2.3
145.10104	1.4
146.03589	0.5
147.04407	7.4
147.08070	0.6
147.11673	0.6
148.05157	1.5
149.05977	18.1
149.09619	0.5
149.13246	1.9
151.03920	5.0
151.07533	4.3
151.11195	0.8
153.12788	0.9
155.04897	1.6
158.07274	0.7
159.04382	1.2
161.02348	2.3
161.05946	0.7
161.13266	0.7
163.02486	0.7
163.03900	17.0
163.07536	24.4
163.11182	0.8
163.14717	0.7
164.08324	65.1
165.07004	0.8
165.08794	2.4
169.06525	0.5
173.06004	4.1
177.05466	0.5
179.07059	2.2
180.07826	3.8
181.04921	0.8
183.04367	1.2
186.06757	0.7
187.03897	6.0
188.04723	3.4
189.05185	0.5
189.06860	1.0
190.07784	1.2
191.08502	1.4
201.05453	11.1
201.07318	0.7
201.09074	3.5
202.05995	0.5
202.07744	0.5
205.06485	3.2
205.10095	0.7
207.07980	0.5
209.18974	0.8
211.07565	0.6
218.07263	1.4
219.08025	3.5
221.05927	1.4
222.06590	0.8
223.07625	0.6
225.05373	0.6
227.07027	0.4
233.05957	2.5
233.09512	2.2
235.07524	1.3
235.20618	0.5
236.08356	1.0
237.09088	1.2
239.06932	0.5
240.07744	1.2
246.06735	0.8
247.07529	5.4
248.07996	0.6
249.05463	3.5
250.06174	1.9
250.09937	0.9
251.06935	1.3
251.10594	0.5
252.07657	0.6
257.05966	0.6
261.09158	2.1
263.07016	2.7
264.07782	4.8
265.08527	4.7
265.12082	1.3
267.06580	0.8
268.07245	1.0
270.08853	0.8
274.16696	0.5
275.07077	4.4
275.10147	0.8
276.07697	0.6
277.04941	1.5
277.08401	0.5
278.09244	0.7
279.06921	0.6
279.10132	1.6
281.07971	1.0
282.08801	1.5
283.09610	3.3
284.10291	0.5
289.08545	1.1
289.25314	0.9
291.72086	0.5
292.07266	4.9
293.07819	1.6
293.11615	2.2
294.12210	0.8
295.09598	2.7
295.26550	0.4
297.11218	1.3
307.09641	18.4
307.26306	1.9
308.09949	1.5
310.08264	0.8
310.11911	1.3
325.10590	17.1
325.14374	6.3
325.19894	1.0
325.27402	3.2
326.10934	1.4
326.14511	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1067
Annotation	Desmethoxyviridiol
Peak:m/z	Relative Intensity
51.02378	1.3
51.57093	0.9
53.03938	2.3
54.41247	1.1
54.55923	1.0
55.01860	4.6
55.05532	1.4
65.03941	1.8
67.05495	3.5
69.03434	2.7
69.07061	2.9
70.33366	1.0
71.04987	2.6
71.32842	1.5
77.03918	1.6
79.05491	4.3
81.03407	11.7
81.07053	5.3
85.02898	2.6
85.06544	1.0
86.09673	1.0
89.03920	4.9
91.05475	9.0
93.07047	4.5
95.04951	3.8
95.08607	3.3
97.02917	1.4
97.06527	3.0
99.04478	1.8
100.11212	1.0
103.05462	100.0
103.09386	0.9
104.05748	2.5
105.03385	1.7
105.04498	1.2
105.07011	6.7
107.04948	8.2
107.08598	4.4
109.02892	3.6
109.06526	2.9
115.05455	2.9
117.03383	6.7
117.07038	3.5
119.04936	5.6
119.08588	2.6
121.06525	3.6
121.10129	1.4
121.68089	1.1
122.03648	3.3
127.03893	1.0
131.04922	39.8
131.08418	1.1
132.05678	4.0
132.49626	1.0
133.02855	8.3
133.06479	3.1
135.04401	9.9
135.08051	7.0
135.11667	1.7
137.04915	2.4
137.05974	47.4
141.06999	1.3
145.02884	5.0
145.06485	5.0
146.03700	1.6
147.04398	11.7
147.08066	1.9
149.05974	23.8
151.03886	3.8
151.07535	7.1
155.04951	2.3
159.04410	2.1
159.11688	1.2
161.02373	1.8
161.05962	3.7
161.94142	1.0
162.06717	1.5
162.13490	1.3
163.03905	23.0
163.07539	31.0
164.08327	73.1
165.05521	2.1
165.07034	1.2
165.08717	2.0
169.06520	1.6
173.05960	4.9
179.07063	2.2
179.08556	1.5
180.07825	5.9
181.04939	14.6
181.06387	1.4
187.03877	7.1
188.04672	2.7
189.07018	2.6
190.07771	4.4
191.08522	7.1
193.06476	1.3
194.07347	2.7
201.05431	14.5
201.09233	2.6
205.06503	6.1
205.10271	1.7
206.07231	1.5
207.07994	2.4
208.08797	1.4
210.06647	1.3
215.08482	1.4
218.07253	4.7
219.08089	10.6
221.05981	3.9
222.06711	3.3
223.07530	3.0
233.05992	3.2
233.09592	3.7
234.06772	1.6
234.10184	1.1
235.07542	3.7
236.08351	2.6
237.09044	3.3
246.06773	2.4
247.07549	14.0
248.08110	2.3
249.05403	5.5
249.09143	1.8
250.06288	3.1
250.09935	1.1
251.06955	2.7
251.10551	1.5
253.08661	1.2
255.06381	0.9
257.05920	1.7
261.09088	4.0
263.07111	5.7
264.07745	7.6
265.08582	8.7
265.11914	1.8
266.09085	1.3
267.06528	1.4
267.09952	1.6
269.08096	1.4
274.06216	1.1
275.06985	8.5
276.07465	1.3
277.04947	2.0
277.08707	1.2
278.09219	1.3
279.06839	1.9
279.10165	3.7
281.07944	1.1
282.08740	1.5
283.09549	3.1
289.08472	1.7
292.07336	10.4
293.08008	7.1
293.11652	5.3
294.08740	1.2
294.12064	1.5
295.09576	2.4
297.11203	2.3
306.22580	1.3
307.09610	30.4
307.19315	1.3
307.22861	1.4
308.09924	2.0
310.11981	1.6
324.23593	1.8
325.10590	19.8
325.14365	15.2
325.19910	2.0
325.23981	3.3
326.14578	1.3
343.03821	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	325.1126
Annotation	D-Fructofuranose 1,2':2,3'-dianhydride
Peak:m/z	Relative Intensity
52.39772	2.1
53.03976	2.6
55.01878	12.5
57.03419	8.6
61.02915	9.9
69.03423	37.5
71.15086	5.4
73.02917	7.7
81.03410	4.4
84.66959	2.8
85.02899	100.0
91.03938	9.2
97.02881	36.2
99.04447	9.0
101.02369	4.2
109.02867	6.8
112.98020	2.6
115.03915	3.0
127.03914	62.9
145.04951	36.4
163.05988	6.9
173.91968	2.4
196.87955	2.8
212.85167	4.1
253.05475	9.0
289.13217	2.7
307.02863	4.4
325.10358	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	325.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92953	0.4
53.03951	2.9
55.01867	2.4
57.03438	7.1
59.05015	0.6
61.02927	12.2
69.03429	22.4
69.30474	1.8
69.30904	1.7
71.01341	0.6
71.04991	3.3
73.02920	4.5
75.39143	0.5
79.05488	0.8
81.03416	9.0
81.07053	1.3
83.01331	0.6
85.02903	100.0
86.03248	1.3
87.04477	2.7
91.03957	5.4
91.05472	0.9
97.02893	19.4
98.03175	0.5
99.04453	5.1
103.03945	1.1
105.07051	0.6
107.08598	0.6
109.02879	9.4
115.03914	0.7
118.06535	1.3
121.02867	1.1
127.03917	21.8
128.04259	0.8
130.05006	0.8
131.04863	0.5
135.08034	0.6
137.05974	1.1
145.04959	27.8
145.07503	3.9
147.09166	30.4
148.09581	0.5
152.14349	1.6
157.06483	0.6
159.09207	1.4
159.88118	0.5
163.03905	2.1
163.06035	6.1
163.07399	0.8
173.07156	1.1
174.06740	0.8
189.09012	0.7
191.08153	39.6
192.08517	1.7
196.16927	0.5
200.59648	0.4
201.15977	0.5
233.07875	0.6
237.09235	0.5
258.61658	0.4
263.13986	0.6
281.14978	18.1
281.18506	1.6
282.15375	0.9
289.11618	0.6
307.12833	4.6
325.13919	27.0
326.14279	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1392
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
50.65175	0.4
52.34488	0.4
52.57693	0.4
53.03930	1.2
55.01867	0.9
57.03174	0.6
57.03437	5.2
61.02929	3.3
69.03061	0.7
69.03426	10.9
71.01345	1.6
71.04643	0.5
71.04986	3.3
73.02911	1.4
75.04466	0.5
79.05486	0.9
81.03432	2.1
83.04971	0.5
85.02907	6.9
91.03926	0.4
91.05479	1.3
93.07041	0.9
97.02888	1.1
99.04462	2.4
106.06523	0.5
107.08564	1.4
109.02876	0.9
116.04927	0.4
116.50394	0.4
117.05512	0.5
118.06551	1.8
121.02885	0.5
127.03933	2.4
128.06218	0.5
132.06856	1.2
134.08165	0.5
135.08034	0.9
136.07544	0.5
137.05972	1.1
145.04971	2.1
145.06487	0.8
145.07602	9.4
146.08333	0.7
147.09163	90.5
148.09502	4.4
159.09166	5.3
160.09943	0.7
163.03883	1.6
163.07495	0.7
173.07141	1.9
173.10847	0.6
177.17494	0.4
185.10776	0.9
189.09016	0.8
191.08144	100.0
192.08527	3.5
197.10649	0.6
199.12236	0.4
213.10211	0.6
237.29996	0.5
245.12839	0.5
263.13986	2.5
269.99335	0.5
277.97693	0.5
281.14948	45.9
282.15384	3.2
289.11612	0.5
307.12833	10.3
325.13913	70.2
326.14362	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	325.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57802	0.2
53.03949	1.7
55.01647	0.2
55.01867	2.2
57.03435	2.7
59.04983	0.3
61.02920	0.8
69.03426	16.4
69.80420	0.9
70.03748	0.4
71.01343	1.0
71.04639	0.3
71.04991	4.9
73.02910	1.0
75.04490	0.3
79.05463	0.4
80.25906	0.2
81.03414	17.9
81.07051	0.3
82.03699	0.2
82.07871	0.2
85.02905	1.6
87.04451	0.3
91.05473	1.1
93.07037	0.5
99.04447	6.4
104.72800	0.2
108.08155	0.4
109.02904	0.3
116.04974	0.7
117.05476	1.7
118.06533	6.2
122.09660	0.3
127.03875	0.3
132.66872	0.3
137.06023	1.1
145.04959	0.3
145.07594	8.2
146.07860	0.2
147.05539	0.4
147.09160	8.3
148.06253	0.4
148.09427	0.4
150.12778	0.4
151.13568	0.3
159.09200	0.3
161.05875	0.3
161.07123	0.3
161.10629	0.3
162.07848	1.3
163.03876	0.5
163.07475	0.4
163.08665	1.3
173.07103	13.1
174.07439	0.5
175.08662	6.2
185.07085	0.3
187.08720	0.5
189.10266	0.4
189.13414	0.2
190.07292	0.4
191.08144	100.0
192.08508	4.0
203.08098	0.6
205.09787	0.6
213.10101	0.3
215.11819	0.6
231.11386	0.4
233.09314	1.3
235.59042	0.2
271.10947	0.6
281.14957	0.3
282.16962	2.4
289.11804	1.5
307.12851	27.6
308.13159	1.9
325.13913	17.6
325.17877	0.5
326.14175	1.2
326.19492	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.3
55.01876	2.7
57.03445	3.4
59.71791	0.4
61.02934	2.4
63.80132	0.3
69.03432	19.2
70.63758	0.6
70.64080	0.5
71.01347	0.8
71.04994	4.4
73.02902	1.4
75.04478	0.4
81.03419	18.2
82.03765	0.4
85.02909	18.6
85.59478	0.3
86.03229	0.7
87.04458	0.6
91.03952	0.8
91.05479	1.0
97.02905	4.0
99.03899	0.5
99.04464	6.8
109.02879	1.2
116.04967	0.9
117.05509	2.4
118.06545	6.4
127.03923	4.2
137.06030	0.4
145.04970	5.6
145.07596	7.7
145.10048	0.4
147.09172	9.8
162.07913	1.3
163.03835	0.4
163.06004	1.2
163.08665	1.4
172.06348	0.4
173.07114	12.8
175.08670	5.5
185.07133	0.4
187.08678	0.5
190.07440	0.4
191.08156	100.0
192.08502	3.6
203.08051	0.4
213.10214	0.5
215.11751	0.6
225.10481	0.4
233.09193	1.1
238.88811	0.3
262.70663	0.3
271.10822	0.4
279.40402	0.3
281.14932	1.0
289.11694	1.8
307.12875	31.0
308.13113	2.4
325.13928	19.0
325.17896	0.6
326.14273	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1432
Annotation	Artoindonesianin O
Peak:m/z	Relative Intensity
53.03945	5.0
53.72360	3.3
55.01870	5.5
55.05512	18.1
55.26093	3.5
57.07066	7.2
67.05499	36.6
69.03386	3.8
69.07061	27.9
69.72919	17.6
71.04997	5.6
73.21693	4.0
78.34118	3.2
79.05486	25.2
81.07053	56.3
83.08600	10.9
91.05472	14.3
93.07034	22.1
95.04945	5.3
95.08610	46.2
97.06535	14.3
97.10133	7.0
103.05453	5.6
105.07036	26.7
107.08565	17.5
109.06522	6.1
109.10159	20.1
111.04450	4.4
115.05444	7.8
118.04126	3.7
119.08586	10.2
121.06505	5.2
121.10139	14.2
122.03655	6.0
123.08057	12.9
123.11674	8.9
131.04918	5.4
133.06523	6.5
133.10120	10.2
135.11661	8.2
137.05966	48.2
137.09639	5.4
141.06987	12.4
143.04979	6.9
145.10135	9.1
146.03638	22.2
149.13277	5.6
151.07570	4.7
153.06912	5.6
161.05972	100.0
163.07518	4.4
169.06459	10.2
175.07573	5.3
175.14796	4.1
181.06461	23.1
190.07796	5.9
192.05646	4.5
193.06424	6.6
194.07317	6.7
195.08003	6.1
201.09148	8.3
205.10046	6.9
207.07890	4.3
209.05965	22.7
210.06667	4.6
211.07484	4.0
213.09148	4.1
218.07228	5.7
221.05986	46.4
223.07504	11.3
224.08177	18.1
233.09625	5.9
234.06657	6.4
235.07610	8.7
236.04692	6.0
237.05444	47.8
237.09055	6.3
238.05869	6.9
239.06938	5.6
241.08678	18.8
248.21002	3.7
250.09805	7.3
251.06963	15.1
252.07825	36.9
253.08432	4.7
261.09174	8.8
265.08710	10.0
265.12161	10.0
267.07114	5.8
267.10034	8.6
268.07224	6.5
268.81461	4.5
269.08060	63.7
278.09277	4.0
283.09613	13.4
284.10361	50.9
285.10779	6.3
289.25226	21.2
293.11682	53.9
294.08804	4.6
294.12073	5.8
307.26291	31.2
310.11722	6.7
325.10626	11.8
325.14267	79.5
325.19742	41.3
326.14771	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	325.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47746	0.3
52.18185	0.3
53.03948	0.4
55.01860	0.6
65.03925	0.8
66.04711	0.4
69.03421	0.9
69.25054	1.9
69.25460	0.6
79.05482	1.6
81.03407	1.5
81.07034	1.2
85.02883	0.4
89.03903	0.4
91.05475	6.3
92.60800	0.4
93.07042	0.4
94.04176	3.6
95.04974	1.7
95.08588	0.5
97.02915	0.3
97.06551	0.3
99.04444	0.4
103.05452	8.7
105.03349	0.5
105.07005	1.0
107.04955	1.2
107.08600	0.7
108.05717	1.5
109.06499	2.3
109.64104	0.4
115.05472	1.9
116.32870	0.3
117.03352	0.4
117.07047	0.5
119.04955	3.1
122.03639	9.7
123.04332	0.3
123.08043	1.3
128.06210	0.4
129.06973	0.5
131.04915	14.5
131.08508	0.5
133.02837	0.4
134.77567	0.4
135.07977	0.4
136.05197	2.5
137.05965	100.0
138.06294	2.7
141.06963	3.6
143.04874	0.8
144.05692	1.2
145.06485	0.7
147.09137	0.8
149.05968	2.2
150.06732	0.6
151.07532	30.3
152.07870	1.0
156.77124	0.4
157.06400	0.7
158.07265	1.4
160.05156	1.6
161.06020	0.8
162.06757	0.6
163.07533	24.3
164.07863	1.0
165.07069	0.5
169.06520	3.2
170.07149	0.7
172.05199	1.9
174.06741	0.7
175.03944	0.4
175.07503	5.8
178.98134	0.4
179.08487	0.5
181.04942	0.8
186.06732	1.9
187.07520	6.7
189.09114	0.6
190.07817	1.3
191.08087	3.0
199.82767	0.4
201.05365	0.7
201.09093	12.2
202.09389	0.6
205.06491	0.8
205.10092	1.9
215.08527	0.7
218.07274	1.3
219.07991	0.6
221.05830	0.4
222.10071	0.4
224.07681	0.4
230.59152	0.3
232.08771	0.4
233.06039	0.7
233.09622	4.2
235.07396	0.5
237.09106	0.9
246.98253	0.4
247.07544	0.8
250.06174	0.4
250.09572	1.0
251.07109	0.3
253.08528	0.5
261.09128	3.6
262.09467	0.7
263.06909	0.7
263.10648	0.4
264.07834	0.6
265.08560	1.5
265.12143	2.5
267.10001	0.5
278.09311	1.5
279.10001	0.8
281.08167	0.6
282.08899	0.5
283.09634	0.9
286.10590	0.4
293.08276	0.7
293.11609	5.8
294.12415	0.9
295.09402	1.1
296.10376	0.6
297.11209	0.6
307.09454	0.6
307.12723	0.6
310.11902	0.8
325.10403	0.9
325.14276	17.7
326.14706	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1432
Annotation	Burttinol D
Peak:m/z	Relative Intensity
51.44577	0.4
53.03944	0.5
54.53408	0.4
55.01873	1.0
55.05505	0.6
57.03451	0.4
58.87809	0.4
59.31100	0.4
65.03941	0.5
67.05502	1.3
69.03432	1.6
69.07065	0.7
69.60609	1.3
69.61015	0.8
71.04957	0.6
73.17039	0.4
79.05511	2.5
81.03407	2.1
81.07048	2.7
85.02893	3.5
85.06538	0.6
89.03926	1.4
91.05479	7.8
93.07055	1.3
94.04185	4.1
95.04981	1.7
95.08598	1.4
97.02897	1.3
99.04476	0.5
99.59268	0.4
103.05462	6.7
105.07030	1.0
107.04982	2.2
107.08588	1.8
109.02886	1.2
109.06532	3.1
109.10176	0.8
109.58846	0.4
111.08080	0.5
115.05468	1.1
117.03407	1.1
117.07004	0.7
119.04943	4.6
119.08604	0.7
119.09574	0.4
121.02827	0.6
121.06517	0.9
121.10150	0.7
122.03656	9.2
123.08012	0.4
123.11659	0.4
124.07561	0.5
125.09589	0.5
127.03915	1.0
129.06985	0.7
131.04930	3.5
135.04430	1.1
135.08034	0.8
135.11768	0.4
136.05212	0.6
137.05977	100.0
138.06320	2.7
141.06990	3.3
145.02846	0.9
145.06432	0.5
147.04424	1.1
149.05981	4.0
151.07541	13.2
152.07904	0.5
157.06587	0.6
158.07254	5.7
161.06003	0.6
161.09529	0.4
163.03899	3.0
163.07532	4.2
164.08353	3.8
168.05711	0.4
169.06476	2.4
170.07256	0.8
173.06015	0.5
175.07607	0.7
181.04926	1.1
186.06770	7.6
187.07420	1.3
189.06927	0.7
189.09076	0.7
190.07790	2.3
191.08394	1.0
201.09108	37.1
202.09641	2.9
205.10085	2.8
207.08000	0.9
211.07535	0.6
215.08632	0.7
218.07265	2.7
219.07967	0.8
221.06050	0.8
221.09457	0.5
224.04636	0.4
227.07037	1.0
232.08865	1.0
233.09601	8.2
234.06706	0.7
234.10231	0.7
235.07564	3.5
236.08011	0.5
237.09117	0.5
239.10724	0.5
240.07773	3.9
246.06943	0.5
247.07495	1.2
247.11191	0.5
248.08102	0.5
249.05531	0.8
249.09074	1.2
250.06247	0.6
250.09952	2.3
251.06976	0.5
251.10600	0.6
252.07684	0.6
253.05009	0.6
253.08569	1.2
255.06393	0.8
261.09137	5.7
262.09747	0.8
263.07053	2.7
264.07764	2.2
265.08636	1.9
265.12225	4.1
266.12759	0.7
267.10092	3.1
268.07385	2.8
269.08124	0.7
270.08890	2.8
271.09872	0.4
275.10614	1.9
277.08716	1.6
278.09369	3.9
279.10095	2.2
280.07446	0.6
281.08136	2.8
282.08759	0.7
282.12585	0.4
283.09647	9.0
284.10147	1.2
292.10904	0.8
293.08276	0.5
293.11652	10.3
294.12421	2.7
295.09702	5.3
296.10318	2.8
297.11148	2.2
307.09546	1.2
307.12933	0.8
310.11923	6.9
311.12244	0.6
325.10913	1.8
325.14316	30.8
326.10986	0.7
326.14645	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1433
Annotation	Burttinol D
Peak:m/z	Relative Intensity
53.03936	0.8
55.01866	0.6
58.51767	0.4
63.30972	0.4
65.03947	0.8
66.04706	0.4
69.03412	0.6
69.17590	0.6
69.17996	2.3
70.48844	0.3
79.05502	1.5
81.03411	1.1
81.07054	2.3
85.02896	1.3
89.03909	1.0
91.05484	6.5
93.07061	0.6
94.04187	4.5
95.04956	1.2
97.02868	0.4
98.22519	0.3
103.05473	8.7
105.07022	0.7
107.04951	1.5
107.08607	0.8
109.02852	0.5
109.06522	3.6
115.05437	0.5
117.03380	1.2
117.07047	0.4
119.04934	2.8
119.05693	0.3
119.06087	0.4
122.03653	9.1
131.04927	3.7
133.55898	0.4
135.04381	1.2
135.08029	0.4
136.05186	0.7
137.05977	100.0
138.06310	2.5
141.06993	2.0
145.02882	0.8
145.06488	0.8
147.04364	0.8
149.05978	6.0
151.07542	10.3
158.07269	3.9
161.06036	0.4
163.03912	5.4
163.07526	3.6
164.08319	5.5
165.08673	0.5
169.06438	1.8
170.07283	0.4
173.05898	0.7
175.07576	0.5
181.05034	0.4
186.06754	3.9
187.04030	0.5
187.07565	0.7
188.04568	0.4
189.06981	0.7
190.07735	2.0
197.05940	0.7
201.05334	0.9
201.09102	24.7
202.09676	2.0
204.09291	0.6
205.06439	0.5
205.10133	2.9
207.08055	0.9
211.07565	0.5
215.08522	0.8
215.89719	0.3
218.07253	2.2
219.08133	0.9
221.05772	0.5
222.06810	0.6
222.10426	0.6
223.07602	0.6
225.05664	0.5
227.07068	1.5
232.08878	1.0
233.09598	8.2
234.10083	1.0
235.07587	3.0
236.08011	0.4
237.09076	0.8
239.07286	0.5
239.10455	0.5
240.07816	4.5
246.06914	0.7
247.07559	1.9
247.11198	1.1
249.05440	0.6
249.09068	1.0
250.06181	0.6
250.09924	2.3
251.10789	0.7
252.07697	0.6
253.08560	1.3
254.09306	0.4
255.06529	1.9
260.08273	0.5
261.09103	5.8
262.09763	0.9
263.07001	2.3
264.07791	2.0
265.08636	1.7
265.12225	5.0
266.12433	0.5
267.06451	0.6
267.10165	1.9
268.07336	3.8
270.08859	2.5
275.10602	1.6
277.08630	1.2
278.09351	2.9
279.10068	1.7
280.07300	0.5
281.08011	1.8
281.10751	0.4
282.08835	1.0
282.12592	0.4
283.09634	12.5
284.10077	1.1
292.10703	0.6
293.11691	10.9
294.12378	2.5
295.09616	4.2
296.10428	1.9
297.11230	2.7
307.09531	1.1
307.13147	0.7
310.11990	4.3
311.12411	0.5
325.10876	1.8
325.14313	33.4
326.14658	3.0
349.87558	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.0
53.03938	2.9
55.01877	5.0
55.05507	4.7
57.03433	1.2
57.57255	1.0
58.17086	0.9
65.03942	2.9
67.05498	5.3
68.99792	1.7
69.03426	4.6
69.07066	4.1
70.90730	2.6
71.04994	1.2
73.89988	1.0
77.03927	1.9
79.05492	11.9
81.03401	5.5
81.07064	9.4
83.04983	1.5
85.02902	5.4
89.03915	5.4
91.05480	15.9
93.07019	6.8
94.04182	3.0
95.04956	5.8
95.08600	6.5
97.02897	1.8
97.06530	2.5
97.10181	2.8
103.05469	100.0
104.05756	1.9
105.07029	45.5
107.04941	9.2
107.08606	5.0
109.02896	1.9
109.06548	4.9
109.10152	4.0
111.08034	1.9
114.38528	1.1
115.05462	16.9
117.03370	4.7
117.07034	5.5
118.04145	4.4
119.04917	7.4
119.08586	3.3
121.06512	5.8
121.10161	3.2
122.03643	5.6
123.08082	2.6
123.11738	1.6
125.09579	1.4
127.03941	1.4
128.06245	3.5
129.07031	1.7
130.07819	1.1
131.04929	45.8
131.08562	1.6
132.05702	2.4
133.06490	38.8
133.10107	1.4
134.03662	1.3
135.04408	8.8
135.08047	6.6
135.11696	3.1
137.05974	73.9
137.09602	2.6
138.06271	2.3
139.07555	1.2
141.06998	16.7
143.04958	2.2
143.06044	2.8
143.08524	1.6
145.02864	3.5
145.06485	8.6
145.10126	2.2
146.03639	1.8
147.04430	8.5
147.08043	2.8
148.05211	5.4
149.05983	22.4
151.03917	24.3
151.04964	1.8
151.07535	12.1
155.04897	11.0
155.06009	1.9
157.06544	1.2
158.07272	6.4
159.04405	2.2
159.08020	1.2
159.11659	1.2
160.05190	2.9
161.02316	2.1
161.05983	78.8
162.06438	3.3
163.03915	19.1
163.07547	38.6
163.11211	1.3
164.08334	58.2
165.07074	1.3
165.08882	3.4
169.06490	20.8
170.07150	1.6
171.04361	2.8
173.05980	14.5
173.09636	10.3
175.03877	2.0
175.07503	11.6
177.05533	1.2
179.07095	1.4
179.08537	1.4
180.07828	3.2
181.04938	1.6
183.04424	6.0
185.05925	3.9
186.06766	45.4
187.03905	5.8
187.07245	2.9
188.04683	2.6
189.07002	3.2
190.07825	4.7
191.08488	3.3
201.05452	24.4
201.09102	46.3
202.05849	1.3
202.09608	1.5
203.08607	1.7
205.06444	3.4
205.10132	4.7
206.07396	1.3
207.08133	2.8
215.08620	3.0
218.07175	5.1
219.07993	6.3
221.05942	3.2
221.09636	1.5
223.07622	1.6
224.08348	1.4
229.06529	1.6
232.08690	2.1
233.05931	3.0
233.09618	10.2
234.06744	1.4
235.07536	4.7
236.08292	1.3
237.09125	3.5
239.07181	2.1
240.07632	1.1
246.06746	2.5
247.07495	9.9
248.08321	1.3
249.05443	3.8
249.09000	2.1
250.06291	2.5
250.09874	4.2
251.07002	1.6
251.10582	1.9
257.05969	1.7
261.09122	10.7
262.09769	1.5
263.07095	2.7
264.07831	7.1
265.08612	5.2
265.12207	7.8
267.10187	1.7
268.07193	1.8
269.07935	1.7
270.08652	1.2
275.06937	5.2
277.08621	1.8
278.09375	3.8
279.10077	4.1
281.08087	3.4
282.08823	2.4
283.09692	4.4
284.10284	1.2
289.08615	5.2
292.07382	6.5
293.07986	3.9
293.11716	14.1
294.12305	2.8
295.09674	6.3
296.10315	4.2
297.11139	3.9
297.14459	1.5
307.09714	17.4
307.18939	1.9
308.09946	1.8
310.12003	4.4
325.10657	19.6
325.14337	34.8
325.20032	2.1
326.11218	1.5
326.14856	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	325.1434
Annotation	Licarin B
Peak:m/z	Relative Intensity
50.38814	0.5
50.91043	0.4
53.03944	0.8
55.01861	0.9
55.05510	0.5
57.03435	0.4
65.03944	0.7
67.05512	0.8
69.03437	0.8
69.34136	1.3
69.34561	1.5
77.03899	0.5
79.05491	2.8
81.03405	0.6
81.07056	3.8
85.02901	1.3
85.97846	0.5
89.03914	1.5
91.05484	8.1
92.05853	0.4
93.07045	1.0
94.04195	3.8
95.04962	1.7
95.08579	0.5
103.05468	12.7
105.07033	1.5
106.12054	0.5
107.04943	3.7
107.08584	0.7
109.02837	0.6
109.06522	4.1
114.58187	0.4
115.05453	1.8
117.03378	1.0
117.07030	1.4
119.04946	2.9
119.08595	0.4
121.06503	1.4
122.03656	8.4
129.07007	0.7
131.04932	7.9
132.05727	0.7
133.06520	0.9
134.03586	0.5
135.04391	1.4
135.08076	0.9
136.05168	1.1
137.05977	100.0
138.06305	2.3
141.06985	3.7
144.05698	0.6
145.02858	0.7
145.06479	1.4
146.07240	2.0
147.04422	3.5
147.08157	0.4
149.05992	7.2
151.03960	0.5
151.07544	12.7
158.07298	2.7
159.08101	1.0
161.06012	2.0
162.06709	0.7
163.03874	2.7
163.07535	6.1
164.08337	8.5
169.06494	3.7
170.73473	0.4
173.05983	2.7
175.07593	0.8
177.09108	1.6
178.09868	4.5
179.08537	0.4
179.10570	0.4
186.06758	3.2
187.03979	0.6
187.07561	5.7
189.06955	1.0
189.08965	0.5
190.07793	3.3
191.08231	0.5
194.09419	0.6
195.06503	0.7
197.06032	0.5
201.05478	2.2
201.09106	15.6
202.09602	2.0
203.08601	1.1
204.09337	0.7
205.06526	0.7
205.10117	4.4
206.10529	0.6
207.08087	1.3
211.07449	0.8
215.08533	1.6
216.09036	0.5
218.07291	4.6
219.08078	2.1
221.05988	1.3
221.09613	0.6
222.06699	0.5
222.10384	1.3
225.05473	0.6
225.08978	0.8
227.07021	1.7
231.07977	0.6
232.08762	1.4
233.06070	0.7
233.09630	10.9
234.06783	1.1
234.10060	0.8
235.07552	4.2
236.08170	0.9
237.09094	1.3
238.06329	0.6
240.07797	4.4
241.08350	0.6
246.06792	0.9
247.07521	3.0
247.11160	0.9
248.07829	0.5
249.05470	1.0
249.09143	1.9
250.06212	1.2
250.09883	3.4
251.10625	0.6
252.07898	0.6
253.05380	0.6
253.08607	2.0
254.09261	0.6
255.06610	2.1
255.09625	0.4
260.08362	0.8
261.09079	8.5
262.09717	1.4
263.07050	3.1
264.07803	2.9
265.08575	2.8
265.12228	7.4
266.12604	0.7
267.10095	1.5
268.07343	3.9
270.08881	3.4
275.07489	0.5
275.10703	1.8
276.11456	0.5
277.08554	1.5
278.09402	4.8
279.10156	2.7
280.07285	0.6
281.08170	3.4
282.08820	1.2
282.12329	0.5
283.09644	11.0
284.10074	1.4
292.07376	0.6
292.10715	0.9
293.08432	0.7
293.11682	17.1
294.12375	2.8
295.09641	4.8
296.10406	3.8
297.11252	3.2
307.09549	1.9
307.13226	1.2
310.11996	5.3
325.10931	2.3
325.14322	46.1
326.11069	0.7
326.14508	3.4
338.93719	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1618
Annotation	Istamycin FU-10
Peak:m/z	Relative Intensity
55.01876	0.7
55.05502	2.3
57.03439	0.7
67.05499	5.0
69.07055	1.2
69.90000	2.4
71.05001	0.7
75.38636	0.5
79.05493	1.7
81.07033	2.7
83.08629	1.4
90.00681	0.7
91.05472	2.3
93.07047	3.1
95.04967	0.8
95.08602	2.9
97.10152	1.6
98.22617	1.0
103.05464	2.0
105.07014	2.5
107.08575	1.4
109.06469	1.6
109.10141	3.6
116.42224	0.7
117.06948	0.7
119.08570	1.3
121.01292	0.7
123.08053	0.9
125.09643	1.6
131.08644	0.7
133.06442	1.5
133.10127	0.9
135.04433	1.2
135.08058	0.9
137.05927	1.7
137.09619	1.6
138.02785	0.6
143.96361	0.6
161.05931	1.5
164.08374	1.1
173.09665	0.7
174.07794	0.7
189.11238	1.8
193.01366	1.8
211.02383	1.8
219.08006	0.7
234.10765	0.6
237.11441	0.7
257.03787	0.7
265.08466	1.1
265.12048	0.7
293.08136	1.4
293.11655	1.2
310.04645	1.3
321.91736	0.8
325.07727	6.3
325.16211	100.0
326.07214	0.9
326.16599	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	2.3
53.03949	24.7
55.01874	19.1
55.05254	3.9
55.05511	56.6
57.03438	15.6
57.07067	5.0
59.05005	3.1
62.09534	2.0
65.03938	6.5
67.05505	100.0
68.05835	2.6
69.03433	9.8
69.07066	22.1
71.04993	62.1
71.32444	2.0
73.02927	6.1
73.06550	2.5
78.66965	2.0
79.05494	80.5
80.05810	2.8
81.03415	67.6
81.07057	94.2
82.07407	3.5
83.04975	59.9
83.08613	17.1
85.02892	3.7
85.06541	6.1
91.05479	65.8
93.07043	78.2
94.07353	3.1
95.04970	34.7
95.08603	65.2
97.06525	17.8
97.10154	10.1
99.04470	2.4
99.08086	2.9
101.06021	7.0
103.05462	12.1
105.04552	2.6
105.07035	57.0
107.04948	39.9
107.08590	29.0
109.02882	3.3
109.06516	19.0
109.10158	17.8
111.04442	5.6
111.08075	7.9
113.06019	6.2
115.05458	8.8
117.07014	25.5
119.04959	7.5
119.08576	30.5
121.06505	21.8
121.10139	17.4
122.03632	4.1
123.04441	8.7
123.08073	31.8
123.11707	3.1
125.06029	3.1
125.09613	14.2
127.07491	2.5
128.06223	5.2
129.06990	18.3
131.04897	10.1
131.08568	29.6
133.06505	17.5
133.10109	22.1
135.04446	9.2
135.08051	16.5
135.11674	18.2
137.06000	16.8
137.09616	14.1
139.07492	3.7
141.06996	11.9
141.09077	2.9
142.07655	1.9
143.08601	10.9
144.05736	2.2
145.06480	16.6
145.10100	18.1
146.07262	2.5
147.08043	14.6
147.11679	14.8
149.06020	11.3
149.09639	7.8
149.13254	6.3
151.03886	6.7
151.07538	11.5
151.11230	1.9
153.09148	3.0
154.07732	4.1
155.08569	6.6
157.10138	8.1
158.07254	3.0
159.08046	19.6
159.11690	20.6
161.05974	7.9
161.09610	14.6
161.13234	8.5
163.03893	3.1
163.07578	8.9
163.11206	8.2
164.08299	5.1
165.09140	3.6
167.08467	2.9
169.10098	11.7
171.11630	12.7
173.06027	5.3
173.09601	9.8
173.13258	7.5
175.11154	4.1
177.09116	5.4
177.12756	12.4
179.10635	3.2
179.14282	3.2
181.10121	3.1
183.04549	2.4
183.08118	2.5
183.10178	9.0
183.11729	5.7
185.09669	2.3
185.13237	4.6
187.07448	3.6
187.11200	12.9
187.14857	3.8
189.12807	10.8
191.08488	2.1
191.14363	6.2
193.01366	3.5
193.12247	2.6
195.13850	4.2
199.11195	5.2
201.05493	7.1
201.09108	6.2
201.12744	6.4
203.14302	2.9
205.10156	2.7
205.12238	4.2
207.08136	3.2
207.13811	23.2
209.13217	3.1
211.02310	3.0
215.17928	2.8
217.12244	4.3
219.07983	4.9
219.13824	14.1
223.13173	2.8
225.16423	5.6
231.13835	4.4
233.09599	5.5
233.11780	6.8
233.15338	7.6
235.07463	3.2
235.13197	3.8
236.08151	2.9
237.08925	3.2
237.14781	13.7
240.07837	2.4
241.14391	4.6
243.17426	6.4
247.13347	3.1
247.16824	2.8
249.14848	7.5
251.10580	2.4
253.15916	4.7
261.09277	3.6
261.18500	21.2
262.18802	2.4
263.06903	3.6
263.16232	2.2
264.07849	4.1
265.08621	4.6
267.10181	3.0
269.07986	2.4
271.16949	31.9
277.08569	3.8
278.09329	4.8
279.10080	5.5
279.21176	3.2
282.08807	4.7
283.09549	3.9
284.10220	2.2
289.17984	84.3
290.18271	5.5
293.08078	7.4
293.11694	8.2
293.21167	2.2
294.12567	3.3
295.09641	7.2
297.11179	4.6
297.14688	3.7
307.09540	4.9
307.19019	11.7
310.08215	3.8
310.11761	3.0
325.07056	13.5
325.10687	38.2
325.14273	29.5
325.19940	53.4
325.24924	3.3
326.11279	3.3
326.14911	4.6
326.20480	4.0
328.13608	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.3
55.05508	20.2
57.03431	9.2
57.07064	8.2
65.03923	2.9
67.05502	100.0
69.07079	13.1
69.55340	3.8
69.55746	7.1
71.04967	5.7
75.35722	2.0
79.05489	66.8
81.07054	98.2
82.07384	3.4
83.04967	3.6
83.08614	8.2
85.06533	8.3
90.44834	1.8
91.05479	27.3
92.05797	2.7
93.06450	4.2
93.07039	74.1
95.04968	9.5
95.08598	68.9
96.08963	2.2
97.06522	6.5
97.10210	2.0
99.08094	5.2
103.05464	2.7
105.07026	28.5
107.04978	2.5
107.08585	47.9
107.09272	3.8
108.08919	4.2
109.06560	2.1
109.10153	39.1
111.08102	2.0
115.05466	3.8
117.07001	9.5
119.08569	18.0
121.09278	3.4
121.10141	52.8
122.10499	2.6
123.08044	3.4
123.11709	26.2
125.09657	3.8
131.08566	26.1
133.06494	9.4
133.10132	23.5
135.04381	13.7
135.08051	54.0
135.11694	52.8
136.08389	37.7
136.11996	2.6
137.09598	2.9
137.13260	7.8
145.10107	19.0
147.11673	13.9
149.09663	2.8
149.13269	23.7
151.07547	2.1
151.11214	4.6
159.11688	20.2
161.05992	2.6
161.13251	5.6
163.03883	4.3
163.11104	3.7
173.13229	15.4
175.14839	2.4
177.12778	4.7
181.04950	3.2
186.06683	2.0
187.14790	3.9
189.16325	3.1
191.14238	3.0
201.05443	3.2
205.19475	10.9
215.17928	42.5
231.82135	2.2
233.09679	2.2
233.18990	57.9
234.19414	3.1
251.20074	7.7
252.07784	2.2
261.09174	2.5
263.06854	2.7
281.08112	6.0
282.08759	6.0
283.09384	2.2
293.11569	6.4
295.09631	24.5
297.10922	2.2
297.14771	2.8
307.22684	9.5
310.08337	8.3
310.11813	2.5
325.07187	3.2
325.10663	45.5
325.14301	15.0
325.23849	25.7
326.11148	3.9
326.23862	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.7
55.01868	9.1
55.05509	71.5
57.03432	3.5
57.07071	6.3
57.68235	1.5
59.04995	6.3
65.03939	1.8
66.52147	1.4
67.05502	52.0
69.03419	5.6
69.07065	36.0
69.28527	12.1
71.04992	12.0
73.06538	7.6
79.05486	40.4
81.07054	100.0
82.07394	2.4
83.04978	7.5
83.08620	53.5
85.06540	6.9
91.05470	15.8
93.07042	29.7
95.04981	2.3
95.08604	75.2
97.06539	10.2
97.10165	64.9
97.10823	2.7
98.10526	2.2
99.08113	2.8
103.05420	1.5
105.07018	13.7
107.04961	2.1
107.08586	25.6
109.06516	3.5
109.10146	21.8
111.08083	5.6
111.11709	2.6
115.05456	2.1
117.07007	4.8
119.08566	5.8
121.10139	18.1
123.08056	2.6
123.11707	30.4
125.05991	2.7
125.09628	55.9
126.09928	2.1
127.11185	2.7
131.08565	3.0
133.06493	2.1
133.10121	14.5
135.08035	12.3
135.11708	7.0
136.08405	5.2
137.09634	2.1
137.13242	29.4
138.13606	1.6
139.07570	2.4
139.11150	16.5
143.10681	5.1
145.10107	4.7
147.11682	6.3
149.13301	2.1
151.11198	5.1
153.09106	28.5
153.12825	1.7
155.14275	13.4
157.10164	2.2
159.11665	3.2
161.05991	3.6
161.13330	2.1
163.11217	4.1
165.05499	2.1
165.09094	2.9
169.12224	24.7
171.10161	6.3
171.11589	1.5
173.09714	1.7
179.14351	2.3
181.12224	13.3
187.11513	2.1
187.13283	21.4
189.09505	2.3
189.11217	44.3
193.04935	2.8
201.14886	3.8
209.13286	1.9
223.16901	2.2
229.19452	2.0
243.21140	1.7
247.20549	2.5
248.35840	1.4
249.18431	2.9
256.36728	1.4
261.22168	4.0
265.21561	7.5
271.20462	3.8
279.23257	2.7
284.10422	2.3
287.53888	1.7
289.21561	15.4
293.08243	2.3
307.19339	2.5
307.22574	16.5
308.23242	1.7
325.10690	2.7
325.13992	8.0
325.23483	2.9
325.26389	1.8
325.29251	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	326.1211
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29155	0.2
56.96559	0.4
69.03443	0.4
70.06575	0.5
70.77999	0.4
70.78321	0.5
71.04996	0.5
76.03056	0.3
85.02914	1.0
97.02966	0.3
98.98471	36.8
99.49146	0.3
110.06052	0.3
113.02388	0.4
113.50423	0.3
116.99510	0.9
146.05792	0.8
146.09645	0.6
147.06561	0.4
148.07318	0.4
150.96976	0.3
154.08618	0.4
164.06868	4.6
164.10692	0.3
165.07426	0.3
174.99229	3.7
232.28714	0.4
251.00049	0.4
254.48277	0.3
282.13303	0.6
326.12097	100.0
327.01566	0.4
327.10364	2.8
327.12445	4.0
344.00824	0.3
344.91315	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1385
Annotation	Oliveridine
Peak:m/z	Relative Intensity
53.03935	2.0
55.01863	2.3
55.05502	6.2
58.76720	0.8
65.03945	1.3
67.05495	2.1
67.97729	0.8
69.07067	2.3
70.03051	2.2
72.56991	0.8
79.05482	11.0
81.07053	24.7
83.04981	5.1
91.05472	17.3
93.07046	4.8
95.04971	2.0
95.07987	0.7
95.08600	2.7
95.32902	0.7
98.98461	69.8
103.05472	7.3
105.07021	2.5
107.04949	2.2
107.08582	5.7
109.06512	20.9
115.05452	6.0
116.99490	1.3
117.05760	0.9
117.06998	3.9
118.06552	3.8
119.08593	0.8
121.06503	2.5
121.10151	1.4
124.07635	1.5
129.07039	3.8
130.06528	7.0
131.04881	1.0
131.08597	0.8
132.08081	7.1
133.06458	1.0
135.08072	10.6
137.05983	4.4
137.09586	1.5
139.07535	0.9
141.07021	0.9
143.04921	0.8
143.08586	1.3
144.08083	2.1
145.06467	2.2
146.05984	6.2
151.03871	1.0
154.06422	1.5
156.08076	1.0
158.05988	1.5
163.07524	1.7
167.07295	1.7
168.08124	1.1
171.04364	1.0
172.07510	1.9
174.99219	9.2
175.07512	1.2
177.09113	1.5
179.08600	0.9
184.07570	4.3
185.06015	1.6
188.07091	4.3
196.07468	1.2
200.07056	100.0
201.07384	5.8
202.08574	1.3
210.09163	1.1
212.07092	3.6
213.05486	1.9
214.08670	1.9
216.06566	1.4
220.11040	1.0
222.09114	1.3
224.06998	5.8
225.07724	1.0
226.08607	5.9
234.12689	1.4
236.10703	3.1
238.08736	3.7
241.04933	2.2
241.08792	0.9
246.09178	0.8
247.09822	1.4
250.08586	1.1
250.12343	1.8
251.00026	2.0
252.06509	17.1
253.06953	1.8
254.11775	1.8
256.07260	7.9
260.10696	1.0
262.12201	9.7
264.10107	2.3
265.08524	1.3
266.08377	1.3
266.11887	2.1
269.11975	1.3
275.09467	3.0
278.11789	7.9
280.13312	35.1
281.13721	2.9
290.11710	7.9
297.11133	2.5
308.12781	50.1
309.13190	3.8
326.10849	1.4
326.14136	1.6
327.08569	1.3
327.11884	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	326.1597
Annotation	Monocrotaline
Peak:m/z	Relative Intensity
53.03944	0.9
55.01869	1.1
55.05488	0.8
55.52478	0.9
69.03435	1.6
70.06591	63.1
70.43522	1.0
70.43869	2.8
71.04993	100.0
71.06896	0.9
72.05298	1.3
79.05478	2.4
81.03383	1.2
81.07059	1.0
85.02908	4.3
86.03247	1.2
87.04519	1.0
88.07632	20.4
89.06026	2.6
91.05479	4.0
95.04942	1.0
98.06056	2.6
98.98462	31.7
99.04458	5.8
103.05424	1.0
105.07036	12.0
107.04952	92.8
107.08596	1.0
108.05293	2.6
109.02869	1.2
114.05531	18.0
116.07097	6.5
117.05502	13.5
119.08574	4.4
121.02878	1.1
123.28474	0.9
129.09097	1.2
132.05641	1.3
133.06491	78.4
134.06908	2.7
134.08122	88.0
135.08481	1.1
138.09142	1.3
147.08051	17.1
148.81035	0.9
149.09550	1.0
156.10201	14.5
160.06052	13.6
160.87550	1.0
163.03860	1.6
164.07047	1.5
174.99223	3.0
175.07512	2.6
176.81432	0.9
202.10732	30.6
203.11102	1.3
244.13367	2.2
260.30057	0.9
262.14365	22.1
263.14865	1.1
280.15463	1.9
291.84271	1.0
308.14917	54.5
309.15115	3.0
326.15952	33.4
327.01239	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.086
Annotation	Maxima isoflavone D
Peak:m/z	Relative Intensity
50.85719	0.2
53.03942	0.2
55.05491	0.3
57.03426	0.5
67.05487	0.2
68.99807	0.2
69.18685	1.5
79.05487	0.6
81.07043	0.5
83.08620	0.2
91.05479	6.1
93.07054	0.3
94.04188	0.3
95.04955	0.7
95.08614	0.3
97.10145	0.2
98.22533	0.3
98.98460	4.6
103.05428	0.6
105.07016	0.6
107.04996	0.3
107.08579	0.2
109.06514	0.3
117.07041	0.3
119.04938	4.5
119.08565	0.2
122.03646	0.9
124.01568	0.8
125.02354	0.8
125.09606	0.2
128.06174	0.4
129.06973	0.4
131.04912	0.3
132.05708	1.0
133.06467	1.5
135.04410	5.0
135.05347	0.2
135.17711	0.2
136.05167	0.3
137.05971	16.2
138.06331	0.3
141.05591	0.2
143.08543	1.8
145.06500	0.3
145.10110	0.3
147.04398	0.3
149.05975	0.6
151.03894	0.6
151.07529	22.2
152.01067	0.4
152.07924	0.5
153.01802	0.8
157.06490	0.4
159.04480	0.2
161.05942	0.5
163.03868	0.9
164.08261	0.3
165.01834	0.5
165.09103	1.7
167.03423	0.3
171.08031	1.7
172.08765	0.2
173.05952	0.4
174.99213	0.5
175.07542	0.5
179.08406	0.2
183.04420	0.3
185.05931	0.3
188.08316	2.9
193.01315	18.9
194.01674	0.8
195.02876	17.2
196.03210	0.5
198.06726	0.9
201.05377	0.3
203.07013	0.5
203.10648	7.8
204.11029	0.3
205.58505	0.2
207.08139	0.2
211.02347	7.3
212.02710	0.3
213.05522	0.3
224.08380	0.3
225.09067	0.4
226.06216	0.6
227.06950	0.5
235.07533	0.2
239.10773	0.3
241.04935	1.8
241.08583	0.6
249.09204	0.2
251.07141	0.2
253.04901	0.4
253.08665	0.2
254.05750	0.6
256.07278	3.4
263.10760	0.5
267.10333	0.4
269.04535	0.4
269.07779	0.2
270.08871	0.4
281.11804	0.4
282.05197	4.8
283.05997	2.1
283.09250	0.3
284.06778	9.6
284.09653	0.3
285.06985	0.4
285.11029	0.2
294.08691	0.2
295.09680	0.7
297.07483	0.8
299.05469	2.8
299.09067	1.4
299.12772	1.1
300.06015	0.3
309.11041	0.5
310.04697	6.7
311.05035	0.6
312.06339	2.8
312.09833	0.4
325.07037	38.2
326.07355	2.7
327.08606	100.0
327.15909	2.5
328.08981	6.5
328.12820	0.4
343.07938	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36312	0.2
56.05029	0.4
67.05496	0.5
71.04966	0.3
74.06075	0.7
80.02513	0.3
81.06995	0.5
89.06022	0.6
91.05455	0.4
92.02452	0.3
95.04973	0.4
95.08610	0.3
98.98460	51.6
102.05514	0.6
107.03584	1.3
107.04911	0.4
109.05128	1.2
109.06479	0.3
111.76762	0.2
116.99485	0.9
119.08597	0.6
120.06577	1.7
123.04371	0.3
123.07975	0.3
131.08560	0.3
132.03070	0.4
133.02840	0.7
134.04617	20.7
135.02982	1.4
135.05237	0.2
136.06165	0.5
137.05949	0.6
137.09552	0.3
140.02740	1.7
147.04364	0.3
147.80626	0.3
149.99953	1.9
152.05659	4.8
160.02524	1.1
161.05965	0.6
165.02298	16.1
165.09082	0.4
166.02704	0.3
167.02614	2.4
174.99229	5.0
178.03598	1.8
182.04947	100.0
183.03285	0.5
183.05132	1.6
191.08382	0.3
193.00555	1.3
208.02864	95.2
209.03163	3.4
251.00018	0.4
272.16739	0.3
281.08063	0.4
294.79324	0.3
327.08545	8.5
327.14038	3.2
327.17685	0.6
328.09061	0.4
341.15710	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1224
Annotation	Fortunolide B
Peak:m/z	Relative Intensity
51.86251	0.1
58.98525	0.1
67.05474	0.1
79.86753	0.1
81.03394	0.1
83.01317	0.3
91.05388	0.1
95.04935	0.4
96.05747	0.2
110.03630	0.2
112.16884	0.1
116.50497	0.1
119.04898	0.1
123.00742	0.1
124.05209	1.5
132.05664	0.4
133.06480	0.9
134.06465	0.1
134.07275	0.9
135.04408	3.4
136.04764	0.1
137.02342	0.1
139.03905	0.8
151.03853	0.2
152.04678	1.8
162.26518	0.1
163.03864	0.1
165.01820	0.4
167.03397	4.7
167.04820	0.2
177.05431	0.3
179.03389	2.0
180.04178	1.6
195.06482	0.4
195.08072	0.2
197.04433	0.4
198.05286	0.2
201.05367	0.2
213.09167	0.1
223.07494	0.2
226.06364	0.1
239.10629	0.6
240.07831	0.2
241.08624	1.2
251.07002	0.2
253.08696	0.1
255.10156	0.1
266.09467	0.3
267.10178	0.3
268.07175	0.2
269.08075	5.1
270.08597	0.2
281.08218	0.2
283.09616	2.9
284.10419	8.2
285.10825	0.3
293.08072	0.2
294.08884	0.3
295.09613	1.7
296.06689	0.2
297.07578	2.7
311.09113	21.1
312.09885	47.6
313.10199	1.6
327.12231	100.0
328.12582	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	327.1226
Annotation	Fortunolide B
Peak:m/z	Relative Intensity
53.03945	2.8
55.01862	15.8
55.05492	6.4
65.03943	5.3
65.76780	2.1
67.05492	8.2
69.03416	2.3
69.07060	7.1
71.04966	3.6
79.05486	13.0
81.03425	3.3
81.07052	10.2
89.03940	2.7
91.05480	30.5
93.03407	5.0
93.07053	6.0
94.04184	2.5
95.04979	8.5
95.08603	9.6
97.06513	4.4
98.98462	100.0
99.52970	2.2
103.05476	43.2
105.07000	13.4
106.54736	2.0
107.04949	44.6
107.08624	4.0
109.06517	4.1
109.10149	6.7
115.05456	9.3
117.03370	2.3
119.04932	16.2
119.08611	3.1
121.06499	7.2
121.10123	3.2
122.03655	8.7
123.04411	5.5
125.09619	3.2
128.06224	19.8
129.06995	18.3
131.04913	18.9
131.08554	2.6
133.06490	5.5
135.04366	11.4
135.08052	6.8
136.05261	2.7
137.05971	82.3
137.09613	5.9
139.05510	3.0
139.11227	5.0
143.08536	8.4
145.06419	6.8
145.10046	3.2
146.07249	3.6
147.04437	4.1
147.08005	5.3
148.05235	5.7
149.05992	27.9
151.03915	8.9
151.07529	70.6
152.59410	2.2
155.08624	2.9
157.06483	21.7
159.04446	2.1
161.05972	19.5
161.09570	2.8
163.03912	18.8
163.07549	42.8
164.08322	29.7
165.05460	6.6
165.06871	2.3
165.09122	14.6
167.04939	4.1
171.08029	10.2
173.05913	2.7
174.99251	9.4
175.07510	23.0
177.05435	5.3
177.09119	5.4
178.07742	6.2
178.09869	2.3
179.08575	3.2
179.10522	2.4
185.04498	4.1
185.05966	21.8
188.08252	11.7
189.09055	11.9
193.10291	3.1
202.07739	9.8
203.06908	16.7
203.08594	18.2
203.10686	40.1
205.06487	4.1
206.07304	5.4
207.07973	3.9
215.06987	3.0
219.08073	5.2
220.08792	7.5
221.09625	10.1
223.07620	4.0
224.08195	3.6
225.09270	4.1
228.81244	2.2
231.08051	23.5
232.08730	4.9
233.05934	6.0
234.06723	8.0
235.07576	3.8
237.05345	2.5
237.09222	2.4
239.10660	2.5
241.08568	3.7
246.10332	2.4
247.07675	2.9
248.08368	13.8
249.09102	25.8
250.09584	4.3
251.07059	8.2
253.08710	2.7
259.07516	21.6
260.08136	3.0
262.06033	2.9
263.08069	3.5
263.10684	20.7
264.10925	2.2
265.04938	2.9
265.08600	3.8
266.09305	7.2
267.10107	7.7
269.07886	2.2
270.08890	4.0
276.07770	8.2
277.08548	34.8
278.08896	3.7
279.06595	8.6
280.07324	9.0
281.11713	17.1
282.11935	2.6
291.10117	33.9
291.19702	3.1
292.10507	5.5
294.08813	16.2
295.09622	8.8
299.09348	5.3
299.12759	10.1
309.11188	64.4
309.14288	2.3
310.11481	7.8
312.06158	2.3
312.09949	2.4
327.08582	34.9
327.12244	54.5
327.15979	21.7
327.62363	2.3
328.09055	2.6
328.12567	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	327.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
55.01861	1.3
58.48819	0.6
65.03946	0.8
66.35777	0.7
66.94036	0.6
67.05490	1.6
67.76944	0.5
69.03424	3.3
69.27795	1.2
69.28198	2.9
70.19994	0.6
73.02044	0.8
77.03954	0.6
79.05486	3.3
81.03407	1.3
81.07040	2.1
82.53266	0.6
84.39981	0.5
91.05478	6.4
93.01482	0.5
94.04166	3.7
95.04980	1.3
95.08605	0.8
97.02887	0.8
98.23302	1.2
98.98460	54.7
103.05465	13.9
105.07020	11.1
107.04919	2.9
109.06500	2.5
109.10140	2.4
115.05405	3.1
116.99494	1.1
117.06986	1.9
119.04916	4.8
121.06487	4.2
122.03645	9.2
127.03911	1.2
128.06216	0.9
129.06987	2.6
130.04076	0.9
131.04909	14.8
133.06477	22.4
134.06807	0.9
135.08040	6.1
136.05209	0.7
137.05968	100.0
137.09518	2.9
138.06300	3.3
143.04947	1.1
145.06473	6.9
145.31328	0.5
147.04391	8.4
147.08058	1.3
149.05991	2.5
151.03987	1.0
151.07535	8.9
157.06435	3.0
161.05966	30.5
162.06668	1.9
163.07532	26.9
164.07861	0.9
165.09114	2.7
171.08069	0.7
173.05956	2.9
174.99225	4.9
175.07553	5.5
177.05479	2.0
178.07819	0.9
179.08556	0.8
185.05963	2.8
187.07510	1.1
189.09099	1.0
191.08458	1.7
193.10112	0.8
194.07216	0.7
202.07813	2.0
203.06958	1.9
203.08568	3.2
203.10515	1.5
206.07248	1.1
207.08028	1.1
219.08080	2.7
220.08775	0.8
221.09613	1.4
231.08002	4.0
234.06770	0.9
235.07599	0.9
235.11192	1.3
239.07060	0.7
245.09756	1.0
247.07523	1.4
248.08154	1.0
249.09090	1.5
250.99968	1.3
251.07117	0.6
251.10600	0.9
259.07562	2.7
263.10672	2.3
265.08722	0.9
265.71170	0.6
266.09436	0.8
267.10239	0.7
277.08554	3.8
278.09390	0.7
279.10242	0.7
291.10114	1.8
295.10010	1.0
295.13272	4.3
296.09860	0.6
296.13205	0.6
297.11176	3.4
309.10971	3.2
309.40790	0.6
327.12204	6.9
327.15927	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.159
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55319	0.9
51.80490	0.9
53.03955	1.2
55.01870	2.2
55.05502	7.0
57.07070	1.3
62.23394	1.0
65.03941	1.6
67.05508	8.3
68.41309	1.0
69.07056	4.6
69.69653	1.1
69.74364	5.3
71.04977	1.2
79.05487	7.1
81.07049	10.9
83.08611	4.5
91.05466	12.2
92.99430	1.2
93.07025	5.8
94.04214	1.2
95.04977	2.5
95.08617	7.1
97.06564	2.5
97.10150	5.8
98.98460	100.0
103.05462	24.9
103.06089	1.9
105.07001	5.0
107.04955	4.1
107.08580	6.8
109.06520	3.9
109.10168	3.6
111.08050	1.1
115.05476	4.3
116.99519	2.5
117.06992	5.3
119.04934	7.0
119.08581	5.5
121.06511	2.6
121.10175	3.7
122.03637	3.1
123.04469	1.4
123.08047	1.2
123.11711	1.6
125.09602	6.3
128.06206	7.1
129.07008	1.7
130.04169	1.1
131.04933	17.9
131.08582	2.7
133.06476	2.4
133.10132	2.4
135.04453	1.6
135.08063	4.8
135.11691	2.7
137.05971	39.9
139.11166	1.8
143.04912	2.1
143.08560	10.9
145.06477	8.4
145.10172	1.3
146.07141	1.5
147.04437	5.6
147.11722	1.7
148.05219	4.5
149.06013	4.6
149.09575	1.3
149.13196	1.5
151.07538	29.6
151.08716	1.8
153.07007	1.1
153.09099	3.4
157.06491	2.9
157.10159	2.4
159.08031	1.5
159.11649	2.6
161.05980	7.1
161.09599	2.5
162.06743	17.8
163.03893	3.2
163.07544	23.2
163.08859	1.8
164.08141	1.2
165.09100	3.9
166.14612	1.1
171.08040	14.6
173.06018	6.1
173.13245	1.7
174.06830	1.4
174.99210	10.7
175.07562	7.9
175.11203	2.6
177.09074	8.9
183.08066	3.0
185.13315	1.3
187.07527	8.6
188.08315	39.3
189.08969	3.5
189.11186	5.7
203.07025	1.4
203.10655	34.4
204.11066	1.8
210.06657	1.2
211.07539	5.0
221.06026	5.0
223.07645	2.1
225.09036	7.1
228.07799	1.4
235.07674	1.2
238.06374	1.3
239.07072	5.4
243.10168	4.5
251.00148	1.5
253.08537	12.2
254.09306	4.3
255.10059	1.7
256.07321	1.4
259.09686	2.7
263.10687	1.4
269.11685	1.7
271.09683	5.7
277.21683	3.9
281.22818	1.5
283.09979	1.6
285.11218	1.7
286.11966	41.0
287.12308	2.3
295.09592	1.1
295.13116	1.8
309.37280	1.0
327.12216	1.5
327.15878	16.1
327.19263	1.6
327.22653	4.9
327.26712	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23764	1.0
53.03937	3.2
55.01870	2.9
55.05506	3.3
57.03437	2.6
57.07062	2.8
65.03941	5.3
66.31709	1.0
67.05504	8.8
69.07057	4.1
69.14072	6.7
69.14477	2.9
71.04961	1.1
77.03943	1.0
79.05484	8.0
81.07056	8.5
83.08627	1.9
85.59901	1.1
91.05473	54.1
92.05802	1.5
93.07045	6.1
95.04961	4.7
95.08602	7.8
96.05280	1.2
97.06499	1.1
97.10150	1.6
98.98461	100.0
103.05464	22.9
105.04529	1.9
105.07023	10.7
107.04950	20.1
107.08587	3.6
108.05753	2.5
109.06534	1.7
109.10117	2.6
115.05440	4.4
116.99451	2.4
117.07017	7.2
118.04129	2.4
119.04940	54.7
119.08572	4.7
121.06483	8.6
121.10128	2.7
122.03635	1.5
123.04448	2.3
123.08064	6.1
123.11645	2.6
128.06206	2.2
131.04927	4.3
131.08551	1.8
133.06470	7.6
133.10126	3.3
135.08075	8.0
135.11639	1.4
136.05168	1.7
137.05989	11.9
140.01085	1.4
143.08557	3.2
145.06508	2.1
145.10121	1.4
147.04393	24.4
147.08083	3.0
147.11707	1.5
148.05052	1.3
149.05968	3.5
149.09619	3.1
151.03842	1.5
151.07527	17.2
152.06212	4.6
153.06973	3.1
155.14456	1.2
157.10114	1.2
159.11693	1.8
161.05928	2.8
161.09653	1.5
161.13222	1.2
163.07539	26.4
164.08324	2.2
168.05682	2.2
171.08009	3.5
173.13277	1.1
174.99193	11.2
175.07483	1.9
175.11201	8.2
179.07033	35.6
179.08603	2.5
180.07437	1.6
188.08336	3.4
203.08882	1.1
203.10651	7.4
211.07504	1.5
225.08969	1.5
233.03615	4.7
242.05722	10.7
242.21191	1.3
251.04727	2.5
251.07089	1.6
254.09366	1.3
257.08078	47.3
258.08365	2.2
266.09317	2.2
267.09766	1.3
270.08908	1.6
271.09512	1.4
281.22580	1.5
283.09653	2.3
285.11322	5.2
286.08945	1.6
286.12027	4.9
287.56619	1.2
295.13361	1.3
298.11969	2.2
310.31073	1.5
327.07770	16.3
327.12155	2.4
327.15738	7.4
327.19049	1.0
327.23090	4.0
327.26761	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	327.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42173	1.0
51.65577	1.2
53.03942	3.6
55.01872	5.3
55.05506	10.2
57.07081	1.4
65.03943	2.9
67.01852	1.4
67.05508	8.8
68.99792	1.7
69.03436	2.9
69.07063	4.7
69.26871	7.2
71.04986	1.5
79.05488	16.3
80.91200	1.0
81.03407	1.5
81.07066	6.9
83.04984	3.7
83.08604	8.2
85.06538	1.3
91.05475	23.6
93.07042	7.0
94.04192	1.4
95.04968	6.1
95.08614	4.3
97.10177	9.9
98.98462	54.0
103.05463	62.0
104.06290	1.4
105.07025	12.8
107.04951	70.5
107.08591	5.1
108.05251	1.8
109.06526	4.0
109.10184	1.7
111.04385	1.3
112.30537	1.0
115.05472	10.1
117.03290	1.0
117.07018	4.9
119.04942	9.6
119.08581	2.6
120.05775	2.6
121.06504	7.1
121.10153	2.3
122.03669	4.2
123.04462	1.5
125.05933	1.4
125.09612	11.8
127.07602	1.3
128.06218	9.1
129.06998	4.7
131.04927	23.9
132.05713	3.3
133.06473	10.5
135.04437	13.0
135.08058	19.2
137.02393	1.5
137.05971	44.1
137.09645	1.7
138.06311	2.2
139.03903	1.8
139.11192	2.9
141.06966	1.4
142.07845	1.2
143.04916	1.6
143.08536	9.9
144.05722	2.3
145.06479	9.2
145.07544	2.1
145.10155	1.1
146.07274	2.3
147.04395	6.2
147.08022	2.4
148.05197	4.3
149.05968	26.3
151.03908	4.5
151.07539	38.5
153.09128	4.2
157.06448	5.4
158.07132	1.6
159.08067	2.3
160.08858	1.3
161.05994	7.5
161.09639	3.9
162.06760	27.4
163.03885	18.5
163.07536	100.0
164.08340	39.8
165.07031	1.4
165.09055	7.5
167.03392	16.0
171.08069	13.4
171.09560	1.5
171.10068	1.5
173.05980	3.1
173.11859	1.1
174.06805	1.6
174.99258	4.9
175.07524	16.1
175.08986	1.4
175.09796	1.4
175.11302	3.0
177.05495	1.6
177.09097	6.4
183.08070	2.8
185.04491	2.4
185.05991	2.2
187.07628	2.5
188.08302	21.2
189.05537	1.2
189.08965	1.8
189.11206	12.9
193.01347	1.6
193.06548	1.3
195.02899	4.1
197.09741	1.3
203.07024	4.6
203.10660	64.2
204.10982	2.0
206.07231	1.3
207.08168	1.3
210.06795	2.5
211.07559	4.7
213.03957	3.8
219.08096	1.5
220.08823	1.3
221.05952	2.4
223.07616	1.3
224.08305	1.6
225.09186	4.9
227.07005	2.2
228.07800	2.8
230.33321	1.0
231.08107	1.7
234.06956	1.3
235.07510	1.4
235.11177	1.5
237.09200	1.9
239.07022	3.9
239.10568	1.3
240.07813	1.7
241.08656	1.5
242.09363	1.2
243.06685	1.3
243.10197	2.9
248.08380	1.5
249.09138	3.4
251.00145	1.4
251.06953	2.6
253.08644	6.1
254.09395	1.3
255.06595	1.4
255.10228	1.1
256.07159	2.5
257.08252	1.4
257.11560	1.1
259.09781	1.4
265.08582	1.6
267.10083	3.0
269.07968	1.8
270.08859	1.9
271.09717	3.6
277.08728	2.4
281.11774	4.2
283.06067	4.7
283.09222	2.0
284.06763	6.2
284.09897	2.0
285.11270	1.6
286.11975	17.0
295.09628	2.6
295.13159	1.7
298.11810	1.3
299.05804	2.0
299.09192	5.7
299.12775	5.3
309.11148	5.0
309.20636	1.2
312.06366	2.0
312.09750	1.4
325.07089	3.9
327.08609	68.9
327.12207	16.1
327.15942	12.9
327.22717	1.2
328.08984	3.8
328.12546	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.3
53.03936	0.8
55.01866	1.1
55.05503	0.3
57.03432	0.4
65.03934	0.6
67.05504	0.9
67.39418	0.3
69.03422	0.6
69.46712	1.9
77.03916	0.8
79.05492	2.8
81.03413	1.7
81.07047	1.6
91.05482	5.6
92.25108	0.3
93.07037	0.5
94.04185	3.6
94.82214	0.3
95.04955	1.6
95.08634	0.3
97.06564	0.2
98.98462	24.7
103.05460	22.6
105.04492	0.3
105.06318	0.6
105.07025	11.6
107.04952	4.4
108.24533	0.3
109.02894	0.7
109.06511	2.7
109.10149	1.3
111.64521	0.3
115.05463	2.3
116.06245	0.3
116.99467	0.4
117.07010	2.5
119.04942	1.3
119.08581	0.6
120.05796	0.4
121.06500	7.6
122.03646	8.1
123.08070	1.3
125.06004	0.3
127.03877	0.4
128.06206	1.0
129.06989	1.0
131.04926	24.5
132.05606	0.4
133.06483	38.1
134.06837	1.1
135.04466	0.4
135.08051	12.7
136.05168	1.1
137.05969	100.0
137.09523	1.9
138.06313	2.8
139.07465	0.3
143.04935	1.3
143.08525	0.8
144.05672	0.7
145.06479	8.1
147.04390	0.8
147.08046	2.3
149.05969	2.1
151.04007	0.7
151.06311	0.7
151.07535	12.1
152.07832	0.3
152.25269	0.3
155.06001	0.5
157.06493	4.0
160.05212	0.4
161.05971	1.3
162.06796	1.1
163.07538	54.9
164.07861	2.1
165.09062	2.1
171.08049	1.3
172.05252	0.3
173.05965	0.5
174.06830	0.4
174.99217	2.5
175.04045	0.3
175.07536	3.8
177.09081	2.1
178.07745	0.4
179.08505	0.4
187.07491	1.5
188.08218	0.5
189.09105	2.3
192.09320	0.4
194.07269	0.3
195.08154	0.5
202.07776	1.3
203.10614	2.2
207.08005	0.8
207.11559	0.3
217.10176	0.9
219.07990	0.5
220.08777	1.2
223.07602	0.3
231.08061	0.5
233.09592	0.3
235.07710	0.4
235.11140	2.2
236.11543	0.4
237.09018	0.3
245.09586	1.1
248.08246	0.6
249.09120	0.6
263.10635	3.9
267.10156	0.6
272.49689	0.3
277.12167	0.4
295.09927	0.5
295.13223	9.6
296.13620	0.7
309.10873	0.3
312.13586	0.7
325.14124	0.4
327.08621	0.5
327.12283	1.3
327.15845	7.7
328.16275	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1589
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
50.95922	1.0
51.03454	1.1
53.03946	2.7
55.01864	1.5
59.49164	1.0
60.69387	1.1
67.05499	2.8
69.38852	8.3
79.05489	10.5
81.07043	1.5
83.04971	1.9
85.22864	1.0
91.05475	13.9
93.07038	1.8
94.04182	1.2
95.04967	2.4
95.08617	1.5
97.10189	1.2
98.98463	24.8
100.68130	1.1
103.05463	25.3
104.06281	1.3
105.07040	6.2
107.04952	98.2
107.08587	1.5
108.05247	2.7
109.06528	1.6
115.05451	10.2
117.07020	4.5
119.04935	6.9
120.05709	1.2
121.06487	3.3
122.03657	2.0
128.06223	7.8
129.07016	2.1
131.04903	11.4
133.06482	7.0
135.04424	6.9
135.08046	12.3
137.05971	28.9
138.14517	1.1
143.08524	12.1
145.06483	4.5
145.07574	2.8
146.07272	2.8
147.04445	2.4
147.08089	2.6
148.05176	2.7
149.05963	7.8
151.03943	2.3
151.07549	20.0
157.06471	1.3
161.05986	2.7
161.09622	6.3
162.06743	1.4
163.03937	6.4
163.07541	100.0
164.08334	18.4
165.06833	1.1
165.09079	2.6
167.03403	10.2
171.08041	13.5
173.06023	3.0
174.06720	1.4
174.99167	2.3
175.07562	10.1
176.77177	1.4
177.05464	1.9
177.09090	2.0
185.04474	1.5
187.07587	2.4
188.08315	15.5
195.02893	2.5
203.10661	42.3
204.10983	3.0
210.06815	1.3
211.02251	1.5
213.03850	1.8
224.08337	1.6
225.08998	1.7
239.06984	1.4
241.08667	1.6
260.69110	1.3
263.10718	1.7
269.07932	1.5
277.08618	1.5
283.09711	2.0
284.06848	2.0
284.09833	1.3
295.09796	1.7
295.13168	1.9
298.12177	2.2
299.09161	3.1
299.12659	2.7
312.06213	1.9
325.07153	2.4
327.08585	30.6
327.12225	8.1
327.15933	14.6
328.08994	2.5
328.18936	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	327.1589
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
51.24772	0.2
53.03944	0.7
55.01871	1.5
56.44553	0.3
57.03439	0.4
65.03955	0.8
66.04729	0.4
67.05495	1.0
69.03424	0.7
69.07079	0.4
70.59043	0.5
77.03915	0.5
79.05489	2.8
81.03406	1.7
81.07051	1.6
91.05474	4.7
93.07053	0.9
94.04183	3.3
95.04976	1.2
95.08632	0.6
97.06546	0.3
98.98464	21.9
102.04694	0.2
103.05465	22.8
104.05815	0.6
105.04524	0.3
105.07027	10.1
107.04948	3.8
108.05734	0.5
109.02876	0.4
109.06508	2.7
109.10159	1.4
111.04403	0.3
115.05455	2.0
116.99500	0.5
117.07024	2.3
119.04929	1.3
119.08596	0.4
120.05785	0.7
121.06509	7.1
122.03646	7.8
123.04423	0.5
123.08057	1.3
128.06219	0.9
129.06998	0.9
130.04160	0.3
131.04926	25.2
132.05365	0.8
133.06487	37.7
134.06844	1.1
135.04451	0.3
135.08049	11.6
136.05206	0.8
136.08379	0.4
137.05972	100.0
138.06306	3.2
143.04927	1.9
143.08546	0.7
144.05681	0.6
145.05309	0.4
145.06479	8.8
147.04391	0.5
147.08041	2.3
147.88272	0.3
149.05998	2.0
151.03905	0.4
151.07541	13.5
152.07869	0.4
153.07008	0.4
155.06007	0.6
155.53334	0.3
157.06505	3.7
159.08043	0.6
160.05190	0.8
161.06006	1.3
162.06750	0.8
163.07536	56.5
164.07854	1.9
165.05464	0.6
165.06854	0.4
165.09155	1.7
169.06496	0.5
171.08061	1.5
172.05157	0.3
173.06036	0.4
174.06757	0.6
174.99225	3.0
175.00594	0.4
175.03940	0.3
175.07530	3.8
177.09123	1.9
178.07689	0.4
182.07300	0.3
187.07536	1.7
188.04692	0.3
188.08276	0.7
189.09082	2.5
192.09477	0.4
194.07234	0.4
195.07994	0.4
202.07791	0.8
203.07083	0.7
203.10619	2.1
207.08028	1.0
207.11652	0.4
210.06964	0.4
217.10112	0.8
219.08174	0.4
220.08791	1.0
221.05873	0.5
221.09546	0.4
225.09085	0.6
233.09732	0.5
235.07465	0.6
235.11151	2.3
242.09496	0.2
245.09592	1.7
248.08321	1.0
249.09000	0.3
253.08723	0.5
263.10660	4.0
264.11087	0.4
267.10114	0.6
285.11072	0.3
295.09821	0.6
295.13263	8.6
296.13715	0.6
309.11353	0.4
312.13495	0.6
327.12167	2.9
327.15829	7.7
328.16141	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1591
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
53.03929	0.6
55.01863	0.8
55.05501	0.7
56.20335	0.3
65.03947	1.1
66.04724	0.5
67.05507	1.2
69.03417	0.5
69.05780	0.9
69.06181	2.0
69.07059	0.8
76.47632	0.3
76.73123	0.3
79.05481	1.7
81.03404	1.0
81.07058	2.8
89.03933	0.3
89.26347	0.3
91.05480	26.4
92.05842	0.4
93.07049	1.2
94.04192	2.2
95.04965	3.8
95.08614	0.8
98.23382	0.6
98.98466	11.1
103.05444	2.3
105.07036	2.4
107.04960	1.4
107.08611	1.0
109.02945	0.4
109.06525	2.2
109.10167	1.5
113.40131	0.3
115.05485	0.8
117.07060	0.5
119.04941	21.4
119.08556	0.6
120.05276	0.6
121.10139	0.5
122.03637	5.7
122.04517	0.3
123.08109	0.4
128.06241	2.4
129.07004	0.9
131.04895	1.2
133.06482	1.7
135.04465	0.6
136.05199	3.3
137.05974	78.4
137.09615	1.3
138.06311	2.3
139.44211	0.3
142.07768	0.5
143.07437	0.5
143.08556	8.2
143.09634	0.5
145.06502	1.7
145.10175	0.9
147.04485	0.4
149.05974	1.3
151.04070	2.1
151.07538	100.0
152.07906	3.1
155.06007	0.3
157.06482	0.8
158.07204	0.4
159.08037	0.6
160.08856	0.9
161.05966	2.3
163.03903	0.4
163.07565	1.0
164.08298	0.8
165.05554	0.4
165.06981	0.5
165.09122	8.2
167.08481	0.4
171.08054	8.1
172.08727	1.3
173.06024	1.9
174.06651	0.4
174.99234	1.2
175.07520	2.5
175.11127	0.5
177.05478	0.6
178.07689	0.7
179.08508	0.4
184.02547	0.3
188.08328	13.9
189.08948	1.4
190.09859	0.4
193.10165	0.5
195.08002	0.7
202.07683	0.4
203.07175	1.8
203.10663	39.3
204.10980	1.9
205.06665	0.4
206.07159	0.6
207.08069	0.4
210.06680	0.4
211.07605	0.8
219.07918	0.5
220.08714	0.4
221.09561	0.9
223.07533	1.1
225.09035	0.6
231.07948	0.5
235.07655	0.8
237.09035	0.5
239.06912	0.5
240.07761	0.4
241.08470	0.5
248.08318	0.5
249.09099	1.6
251.07047	1.1
253.08528	1.2
255.10257	0.4
259.07538	0.4
265.08420	0.5
266.09293	0.5
267.10168	1.1
268.07281	0.6
269.05408	0.3
269.07999	2.1
277.08456	1.2
281.11716	1.5
283.09583	1.7
284.10236	1.2
285.11029	0.6
291.10013	0.3
295.09586	1.2
295.13040	0.5
298.12033	0.8
299.12704	2.0
309.11115	1.4
327.08170	1.2
327.12131	8.3
327.15826	17.4
328.12601	0.5
328.16296	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1588
Annotation	Licarin A
Peak:m/z	Relative Intensity
50.01594	1.5
51.02366	2.7
53.03942	9.2
55.01860	1.7
55.05495	1.9
57.03441	0.7
58.38636	0.4
65.03926	1.6
67.05496	4.0
69.03403	0.6
69.07063	1.7
71.04969	0.6
71.32505	0.6
74.11496	0.4
77.03902	3.3
79.05477	5.6
81.03410	2.0
81.07053	5.0
81.94229	0.4
83.08614	1.3
85.06494	0.6
89.03904	0.5
91.05474	16.9
92.05821	0.8
93.07038	6.0
94.04176	2.3
95.04958	21.2
95.08591	6.4
96.05324	0.7
97.06522	1.3
98.98462	20.2
103.05460	29.1
105.04510	6.1
105.07021	7.6
107.04944	10.4
107.05674	0.6
107.08575	3.4
109.06499	3.8
109.10129	2.4
110.41633	0.4
111.04441	0.9
115.05438	4.9
116.06271	0.5
116.99522	0.5
117.06996	5.8
117.76595	0.4
118.06596	0.5
118.07339	0.5
119.04944	5.5
119.08581	6.2
121.06499	4.9
121.10120	3.1
122.03630	4.4
123.04401	1.2
123.08089	1.5
123.11707	0.9
125.09636	0.6
128.06206	15.5
129.07016	4.3
130.07773	1.0
131.04913	14.5
131.08556	2.8
131.76920	0.4
132.05443	0.4
133.06534	2.3
133.10112	3.2
135.04407	5.5
135.08061	2.4
135.11673	1.0
136.05237	0.8
137.05968	50.0
138.06287	1.2
141.06966	2.1
142.07779	1.7
143.04979	0.6
143.08539	19.7
144.05714	0.6
144.08961	1.1
145.06473	9.5
145.10107	3.3
146.07260	1.6
147.04419	1.1
147.08038	2.0
147.11670	1.5
148.05170	3.5
149.05978	2.6
149.09598	1.6
149.13161	0.6
151.03987	1.0
151.07533	22.1
152.06192	31.8
153.06979	23.4
154.07318	1.1
155.06032	1.9
155.08586	0.6
157.00516	0.6
157.06485	3.7
157.10123	3.0
158.07191	0.8
159.04419	1.1
159.08073	1.2
159.11688	3.1
160.05185	1.1
160.08742	0.9
161.05980	2.8
161.09662	2.3
161.13257	0.6
162.06725	1.6
163.03888	10.7
163.07521	15.1
164.04294	0.6
164.08357	2.4
165.06967	1.0
165.09100	3.5
167.08591	0.7
168.05688	8.3
168.09406	0.5
169.06506	3.5
169.10117	0.8
170.07185	1.0
171.08037	21.8
171.11717	1.7
172.08482	1.4
173.05981	5.2
173.13203	1.0
174.06819	1.2
174.99261	2.1
175.01570	2.5
175.03926	0.6
175.07526	10.0
175.08914	0.8
175.11218	1.4
175.14807	1.3
176.08022	0.5
177.05432	1.1
177.09120	5.2
178.07765	0.9
179.06027	1.0
179.08498	1.0
179.96002	0.4
181.10068	0.9
183.11641	1.0
185.05898	0.7
185.13235	0.6
187.03033	1.4
187.07544	4.5
187.14752	1.3
188.08304	29.4
189.07047	0.6
189.08867	1.7
191.08525	1.2
192.09305	0.9
193.10072	0.8
195.08063	1.1
197.13232	0.9
199.14859	0.6
202.07774	1.6
203.07091	2.5
203.10649	29.8
204.11028	1.9
205.06490	1.4
207.07990	0.9
207.11713	0.7
209.09668	0.6
215.02536	6.8
215.14325	0.5
219.08064	2.1
220.08698	1.4
221.05983	1.0
221.09532	0.7
223.07492	1.4
224.08397	0.9
225.09059	1.2
225.16389	0.6
227.08614	1.8
228.09308	7.7
229.10136	3.1
233.03601	31.2
234.03952	1.9
234.06549	0.6
235.11119	1.7
236.08076	0.5
237.09097	1.6
238.09882	1.1
239.10612	0.9
241.08507	0.5
247.07564	0.9
248.08296	0.9
249.08986	2.7
251.04669	16.9
251.07002	1.7
251.10588	1.0
252.05147	0.9
253.08557	1.2
255.10164	0.9
263.10535	2.1
265.08633	1.3
266.09320	1.2
267.10150	2.0
267.13757	1.3
269.08057	0.8
270.08856	0.6
277.08548	1.1
279.10153	1.2
280.11035	0.8
281.11780	1.6
281.22522	1.3
283.09613	3.6
284.10223	0.8
291.10141	0.6
294.12744	0.5
295.10156	0.6
295.13062	2.7
297.11185	1.6
298.11975	2.7
299.12653	1.1
309.11185	1.6
309.14548	0.6
309.22131	0.5
312.13440	0.6
325.07056	0.8
327.07788	100.0
327.11871	4.3
327.15720	15.7
327.22653	2.7
328.08142	7.6
328.16309	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1588
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
51.02389	0.4
55.01875	0.7
55.05499	0.4
58.95160	0.3
65.03944	0.9
67.05491	0.4
69.62235	1.9
79.05481	1.6
80.06261	0.4
81.07050	1.2
84.28095	0.3
91.05474	26.9
92.05808	0.7
94.04191	2.1
95.04974	3.5
97.42902	0.4
98.98462	5.0
103.05474	2.2
105.07029	1.4
107.04958	1.7
109.06509	1.7
109.10167	0.4
112.75831	0.3
115.05414	0.4
117.07008	0.4
119.04939	18.2
120.05257	0.7
121.06557	0.3
122.03647	6.0
123.08044	0.4
128.06209	3.4
129.06979	1.1
131.04884	0.8
133.06496	1.7
135.04390	1.3
136.05196	3.1
137.05971	75.9
138.06288	2.4
141.06844	0.3
143.08553	7.5
145.06482	1.0
145.10132	0.6
147.04399	0.4
149.05978	1.3
151.07532	100.0
152.07854	3.5
154.36281	0.3
155.06084	0.4
157.06462	1.3
160.08809	0.6
161.05957	1.0
163.03879	1.8
163.07515	0.7
164.08308	1.0
165.09114	6.9
171.08054	8.0
172.08884	1.6
173.05997	1.1
174.99237	0.6
175.07555	2.2
175.11240	0.4
177.09154	0.7
178.07784	0.4
185.05975	1.0
188.08302	13.0
189.08888	0.9
190.09917	0.4
193.01350	1.3
195.02965	0.6
195.07927	0.5
202.07663	0.5
203.10655	40.9
204.11017	1.2
211.02315	0.4
211.07579	0.3
223.07523	0.5
225.09100	1.1
231.08020	0.7
233.05858	0.3
234.06767	0.4
235.07382	0.7
237.09073	0.5
238.06181	0.4
241.08369	0.4
248.08307	1.0
249.09059	1.3
252.07735	0.3
253.08543	0.6
259.07498	0.7
263.10599	1.3
267.10016	0.5
269.08044	1.2
270.08551	0.4
276.07733	0.6
277.08569	1.2
281.11758	0.9
283.09497	0.7
284.10330	1.0
285.11099	0.7
291.10147	1.6
294.08820	0.5
295.09573	0.4
295.13113	0.7
298.11868	0.6
299.09146	0.6
299.12579	0.7
309.11191	3.0
325.06998	1.5
327.08951	4.7
327.12271	1.9
327.15833	16.7
328.16232	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85821	0.5
53.55096	0.5
55.05504	0.8
55.20069	0.4
57.03429	0.4
62.20395	0.5
65.03928	1.1
67.05492	0.6
68.99793	0.6
69.56607	2.4
79.05493	2.4
81.07040	1.4
83.08649	0.5
91.05478	28.2
92.05806	1.0
94.04179	2.0
95.04958	3.9
95.08594	0.6
98.22594	0.5
98.98465	12.0
103.05440	2.2
105.07037	2.1
107.04941	1.3
107.08601	0.9
109.06528	1.5
115.05440	0.8
119.04940	19.7
122.03645	5.1
123.08026	0.5
125.02342	1.1
128.06215	2.7
129.01903	0.4
129.07001	1.1
131.04955	0.9
132.05684	0.9
133.06454	2.4
135.04414	4.8
136.05251	2.5
137.05972	71.4
138.06293	2.5
141.07094	0.5
143.08557	7.3
145.06490	1.4
145.10144	0.7
147.08017	0.6
149.05943	0.9
151.07536	96.6
152.07855	2.7
153.01811	0.5
157.06490	0.6
159.08043	0.4
160.08823	0.5
161.05994	1.6
163.03850	2.2
164.08337	0.6
165.01826	0.6
165.09105	7.0
167.03316	0.6
171.08046	8.6
172.08836	1.1
173.05992	1.4
174.06830	0.5
174.99213	1.2
175.07521	2.0
177.05551	0.9
181.06508	0.7
182.88974	0.4
188.08315	11.1
189.08937	1.3
189.11197	0.5
190.09755	0.6
191.10683	0.5
193.01324	17.8
194.01642	0.8
194.07275	0.5
195.02882	16.2
196.03230	0.5
198.06850	0.7
203.06914	1.3
203.10664	33.5
204.11046	1.7
204.78108	0.5
210.06837	0.9
211.02394	7.9
211.07527	1.0
212.02913	0.6
223.07513	0.7
224.08337	0.8
225.09055	1.1
226.06393	0.7
235.07510	0.7
241.05048	1.6
241.08699	1.2
242.09209	0.6
249.09129	1.6
251.07152	0.5
252.07884	0.9
253.08604	1.1
254.05746	0.9
256.07257	3.2
267.10126	1.4
269.04480	0.6
269.07928	1.0
270.08810	1.0
281.11832	0.7
282.05179	4.8
283.05954	2.3
283.09579	1.3
284.06833	8.8
284.10190	1.0
285.07004	0.6
285.11087	0.6
294.08804	0.6
295.09610	1.3
297.07532	1.2
299.05496	2.0
299.09128	1.6
299.12827	2.1
309.11258	1.7
310.04709	6.2
312.06317	3.3
325.07050	36.5
326.07458	2.6
327.08630	100.0
327.11874	5.4
327.15305	13.1
328.08948	7.9
328.12595	0.6
328.16324	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02401	0.4
53.03948	1.0
55.01872	0.7
55.05531	0.4
57.03446	0.4
65.03946	1.6
67.05492	1.0
69.07078	0.8
70.91444	0.9
77.03928	0.5
79.05484	2.5
81.03429	1.1
81.07063	3.2
91.05478	29.2
92.05807	0.8
93.07070	0.8
94.04194	2.4
95.04974	3.2
95.08601	1.3
98.98470	7.4
103.05460	0.8
105.07018	2.1
107.04974	1.4
107.08562	0.6
108.05785	0.5
109.02911	0.5
109.06519	2.6
109.10140	0.9
115.05425	0.6
117.07016	0.5
119.04943	23.0
119.08603	0.5
120.05254	0.8
121.02847	0.9
121.10242	0.4
122.03656	6.0
123.08092	1.0
125.09655	0.4
128.06216	3.3
129.06961	0.5
131.04948	0.8
133.06480	1.4
133.10124	0.5
135.08066	0.4
136.05203	4.2
137.05975	80.9
138.06306	2.2
143.07430	0.5
143.08559	9.9
145.06483	0.9
145.10066	0.9
149.02377	0.8
149.05959	0.9
151.07538	100.0
152.07884	3.2
159.04396	0.5
159.07959	0.6
160.08852	0.5
161.05994	1.2
163.07550	0.5
165.09116	9.3
166.09547	0.5
167.03383	0.5
171.08054	11.5
172.08707	1.5
173.06018	1.7
174.99229	0.7
175.07504	1.5
175.11221	0.5
179.03331	1.4
188.08324	13.1
189.08951	1.2
190.09868	0.5
197.04425	0.7
203.10667	37.7
204.11034	1.7
221.05876	0.6
225.09023	0.7
235.07654	0.4
235.11218	0.5
238.09840	0.5
245.19057	0.4
251.07007	0.5
253.08521	0.6
254.05667	2.2
263.10468	0.6
263.20029	0.5
266.09286	0.4
267.09897	0.4
269.07944	2.0
270.08804	0.6
282.05179	2.5
283.05237	0.6
283.09567	1.3
284.06638	1.1
284.10251	1.0
285.11078	0.7
291.19373	0.4
295.13257	0.9
297.07584	2.1
298.11984	0.6
309.10904	0.6
309.65475	0.4
312.06241	2.9
327.08478	12.8
327.12341	1.7
327.15759	16.4
328.08890	1.3
328.16113	1.5
345.38614	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1589
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
52.43661	0.9
53.03951	1.5
55.01871	3.6
55.05496	1.4
65.03932	1.5
67.05507	3.9
69.03442	0.8
69.07069	2.6
69.84595	3.2
70.38078	0.9
77.03940	1.0
79.05490	4.7
81.03415	1.7
81.07062	6.0
85.38336	0.9
91.05480	18.4
93.07050	5.0
95.04977	4.0
95.08606	2.6
98.98466	29.4
103.05461	9.1
105.07025	9.2
107.04950	29.0
107.08616	2.3
109.06520	2.1
109.10156	3.3
115.05474	5.6
117.06288	0.9
117.06980	5.2
118.37434	1.0
119.04935	7.4
119.08617	1.3
120.05814	1.0
121.06517	12.2
122.03648	1.4
123.04427	8.3
123.11707	1.9
128.06244	4.9
129.07016	1.9
131.04962	7.5
133.06503	9.7
133.10168	1.4
134.07259	1.2
135.04387	4.5
135.08066	6.5
136.05214	5.2
137.05983	28.4
137.09599	1.8
138.06316	1.3
139.07582	1.5
141.07018	1.0
143.08557	5.5
145.06500	3.3
145.10091	1.6
146.07268	11.2
147.04411	3.0
147.08057	10.0
148.05225	4.8
149.05981	22.8
149.09604	1.2
150.06743	3.1
151.03920	6.0
151.07539	53.4
152.08006	1.2
157.06488	1.2
161.05972	9.9
161.09532	1.5
162.06779	5.4
162.84264	1.1
163.03935	1.9
163.07536	33.7
164.08243	1.8
165.09117	14.5
166.13728	0.9
171.08070	6.3
173.06012	1.1
174.99245	3.4
175.07547	31.6
176.07930	1.4
177.09131	7.2
178.09886	100.0
179.10474	4.8
188.08350	6.5
189.09114	17.1
193.08633	1.6
194.09349	6.1
203.07071	2.3
203.10670	14.8
205.73073	1.0
217.12196	2.2
225.09106	2.3
237.09253	1.4
241.08371	1.0
248.08319	1.1
249.09076	1.6
253.08624	1.8
263.10831	1.2
267.10245	1.7
268.10889	2.7
269.08093	1.2
277.08691	1.2
283.09732	1.2
284.10526	1.4
286.11908	1.6
295.09790	2.2
295.13242	1.5
297.11209	1.3
299.12854	3.1
309.11374	1.1
327.08554	4.4
327.12228	8.6
327.15918	11.9
327.19220	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1589
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
53.03946	1.2
53.85756	0.4
55.01878	1.4
55.05509	0.6
56.43723	0.4
66.04728	0.6
67.05502	1.2
69.11597	0.4
71.32999	0.6
75.02370	0.5
77.03911	0.7
79.05499	3.6
81.03410	1.0
81.07043	3.2
85.02892	0.7
91.05481	5.3
92.05839	0.4
93.07051	1.9
94.04179	2.7
95.04976	1.5
95.08624	1.3
98.98466	70.9
103.05467	19.2
104.05841	0.5
105.07030	8.2
107.04959	3.7
107.08616	0.5
109.02869	0.7
109.06525	3.3
109.10174	1.3
111.04458	1.0
115.05455	2.1
116.99502	1.4
117.07032	2.9
119.04955	2.0
119.08549	0.8
120.05681	0.6
121.02859	0.8
121.06502	6.5
122.03642	7.0
123.04414	0.6
123.08086	1.2
125.06028	1.4
128.06229	1.2
129.07002	1.2
131.04932	19.8
131.08521	0.7
133.06491	31.6
134.06841	0.8
135.04347	0.6
135.08040	8.9
136.05168	0.8
137.05974	100.0
138.06306	3.0
143.04921	2.0
143.08582	0.9
145.06470	7.8
147.04443	1.0
147.08005	2.6
149.05969	2.8
151.03979	2.3
151.04979	0.6
151.07541	12.4
153.05463	1.7
157.06456	2.8
161.05977	1.0
162.06772	1.6
163.07539	51.0
164.07890	2.3
165.05481	0.8
165.06905	0.6
165.09109	1.4
171.08067	1.6
173.05910	0.7
174.99210	8.6
175.07536	4.6
177.09077	2.6
178.07761	0.8
187.07544	1.8
189.07001	0.5
189.09088	1.7
191.08585	0.6
193.06516	0.7
195.08052	0.6
203.07002	1.2
203.10692	1.6
206.07281	1.0
207.08063	1.5
207.11752	0.7
211.07336	0.5
219.08031	0.7
220.08655	0.8
221.09628	0.5
224.08173	0.8
234.06711	1.5
235.07527	1.1
235.11249	2.2
245.09492	1.2
248.08521	0.7
249.09154	1.9
250.75722	0.5
250.99977	1.0
251.06876	0.9
253.08856	0.6
263.07990	0.8
263.10593	4.5
265.08691	0.8
267.10101	1.4
268.07318	0.8
277.08569	3.2
281.08047	0.7
283.09592	1.2
295.09708	2.0
295.13242	8.3
296.13589	0.7
299.12607	1.0
309.11157	0.9
327.08737	1.1
327.12219	7.1
327.15900	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	327.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.5
53.03935	1.2
55.01863	1.6
55.05505	1.1
55.06966	0.4
62.60664	0.4
65.03932	1.0
67.05491	1.8
69.03423	0.9
69.07048	0.4
69.55235	1.6
69.55647	0.9
77.03916	0.7
79.05498	4.0
81.03395	1.3
81.07048	2.0
85.02898	0.5
91.05477	7.2
93.07043	1.9
94.04163	3.2
95.04962	1.8
95.08625	0.7
97.06528	0.5
98.98461	95.4
99.04419	0.5
102.04702	0.5
103.05460	20.7
105.07023	9.3
107.04953	4.1
107.08598	0.8
108.05772	0.7
109.02863	0.9
109.06516	3.1
109.10130	1.5
109.96972	0.4
111.04458	0.7
115.05474	2.7
116.99490	1.9
117.07056	2.6
119.04951	2.0
119.08587	1.5
121.06507	6.9
121.10123	0.4
122.03633	7.6
123.08025	0.9
123.51453	0.4
125.05997	0.4
128.06200	1.8
129.06976	1.7
131.04922	22.6
133.02895	0.5
133.06483	31.2
134.06837	0.8
135.04431	0.9
135.08049	10.5
136.05237	0.6
137.05969	100.0
137.09555	1.2
138.06277	3.1
140.01103	0.5
143.04941	2.6
143.08545	0.8
144.05702	0.6
145.06479	7.0
147.04391	1.9
147.08026	2.7
149.05960	2.2
151.03897	3.3
151.07535	13.9
152.07832	0.7
157.06464	2.9
159.04433	0.8
159.08041	0.6
160.05191	1.0
161.05988	4.4
162.06821	0.9
163.07536	47.1
164.07877	1.7
165.05461	1.2
165.06889	0.9
165.09093	1.8
169.06534	0.6
171.08003	1.7
173.05937	0.9
174.06737	0.6
174.99223	8.6
175.07549	5.8
177.09087	1.6
178.07794	0.9
179.08601	0.8
181.06450	0.9
187.07550	1.5
188.08292	0.9
189.07066	1.0
189.09036	2.2
191.08664	0.6
193.10225	0.5
195.07945	0.5
201.09132	0.4
202.07722	1.2
203.06996	1.6
203.08839	0.5
203.10579	2.0
205.06572	0.9
206.07246	1.6
207.08047	1.7
210.06792	0.4
217.06454	0.9
217.10101	0.9
218.07347	0.4
219.08052	1.0
220.08759	1.1
221.09566	0.7
223.07462	0.9
224.08247	0.8
225.05443	0.6
225.09001	1.0
231.07988	0.7
234.06738	2.8
235.07494	1.7
235.11151	1.6
237.09079	0.5
238.06058	0.5
239.10539	0.7
240.07753	1.2
245.09589	0.9
247.07448	0.6
248.08273	1.0
249.09171	3.5
251.00018	1.0
251.07101	1.2
253.04846	0.5
253.08557	1.4
263.07056	0.7
263.10629	3.8
265.08533	0.9
266.09329	0.6
267.10126	1.2
268.07184	1.0
268.10416	0.4
277.08591	8.0
278.09113	0.8
280.07202	0.4
281.11627	0.6
283.09564	1.3
284.10364	0.8
285.11093	0.8
291.19232	0.5
294.08820	0.6
295.09644	2.7
295.13239	9.5
296.13553	0.7
298.11713	0.5
299.09546	0.7
299.12598	2.1
309.11118	2.1
327.08530	0.7
327.12170	9.1
327.15909	6.7
328.12442	0.8
339.66379	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.4
55.01871	15.7
55.05251	3.4
55.05508	47.4
55.79259	2.1
57.03412	4.0
57.07072	3.9
61.86840	1.9
62.78268	2.8
63.37337	1.9
65.65379	1.9
66.54575	2.7
67.05499	76.7
69.03429	5.1
69.07066	45.0
69.14207	4.6
69.14610	16.8
71.04980	6.2
79.05494	51.9
81.03408	5.8
81.07056	68.3
83.04980	17.1
83.08614	23.8
85.06557	5.2
91.05466	23.3
93.07043	62.1
95.04963	4.5
95.08607	53.0
97.06522	12.3
97.10174	27.4
98.98463	100.0
105.07017	17.6
107.08585	35.8
109.06515	2.7
109.10152	50.1
111.08085	5.4
111.11716	3.6
117.07011	3.6
119.08567	21.1
121.10150	53.2
122.10505	3.6
123.08068	8.4
123.11707	8.4
125.09647	19.3
129.07004	3.0
131.08583	6.1
133.10149	15.4
135.08003	3.6
135.11671	34.4
137.09566	16.9
138.55490	2.6
139.04027	2.3
139.11182	27.2
145.10130	8.6
147.08052	3.0
147.11671	7.5
149.09508	3.3
149.13254	12.7
151.11180	3.7
153.09132	3.1
153.12732	4.0
157.10118	3.8
159.11693	3.8
161.13231	5.4
163.11143	3.0
163.14777	2.9
165.12791	2.7
167.14505	2.2
171.11722	3.5
173.13220	3.9
174.99222	9.6
175.14775	4.0
177.12869	3.3
177.98795	2.5
181.12244	6.5
185.13249	3.1
189.11226	8.6
193.74454	2.6
195.13748	3.3
199.14906	3.6
231.21019	4.4
241.19499	6.3
249.22202	3.4
259.20551	18.4
260.76639	2.1
277.21616	53.4
278.22079	3.8
295.22723	19.1
323.80991	2.2
328.32297	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.8
55.01874	3.1
55.05508	15.3
57.03429	5.6
57.07077	7.9
65.98843	1.0
67.05503	35.6
69.07064	21.1
70.21475	4.0
71.04990	5.5
71.08622	2.4
79.05496	16.3
81.07053	43.8
81.20191	1.0
83.04987	2.5
83.08618	10.7
85.06547	3.2
85.10180	1.6
91.05473	13.1
93.07048	15.4
95.04964	1.5
95.08602	37.2
96.08932	1.7
96.19978	1.1
97.06531	6.0
97.10162	10.5
98.98461	100.0
99.08077	3.7
103.03947	2.1
103.05439	1.4
105.07014	9.9
107.08582	13.2
109.10162	14.8
111.08050	2.3
111.11739	2.3
113.09641	2.1
116.99512	1.5
117.38045	1.1
119.08591	10.2
121.10152	11.8
121.50769	1.1
123.11706	9.7
125.09631	2.3
127.11176	1.7
129.05528	1.3
129.09010	1.2
131.08531	1.5
133.10117	9.8
135.11678	13.4
137.06001	1.5
137.13234	6.6
139.11115	2.0
143.08536	1.2
145.10136	1.7
145.93300	1.2
147.11649	7.9
149.13268	4.3
151.07487	1.7
151.14821	5.1
153.12799	1.2
161.13258	8.9
163.07555	1.3
165.12683	1.6
171.11600	1.4
174.99220	10.1
175.14851	3.6
185.13268	1.4
193.12144	1.7
217.19478	23.6
218.19919	2.2
228.18329	1.1
235.20563	16.3
277.21432	1.3
304.23376	1.2
309.24292	7.7
327.08252	1.7
327.12167	2.4
327.22620	1.8
327.25906	1.7
328.22418	24.9
328.32022	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	327.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70432	1.9
55.05512	25.6
57.07075	10.7
65.03922	2.2
67.05501	20.1
69.06709	2.6
69.07063	40.6
70.53617	6.1
71.08620	7.1
72.08126	2.0
79.05481	9.1
81.07050	32.2
83.05001	3.1
83.08615	24.7
85.06520	2.5
85.10128	3.6
91.05479	11.2
93.07021	12.5
95.04945	3.9
95.08598	32.7
97.06498	5.4
97.10157	21.3
98.98460	100.0
105.07017	9.5
107.04919	4.4
107.08580	13.3
109.10166	18.1
111.08083	3.5
111.11719	9.1
119.08569	9.5
121.10146	14.9
123.04404	7.2
123.11691	5.2
125.09592	2.9
125.13216	3.6
131.08578	3.0
133.10107	9.8
135.11678	8.5
137.05951	3.0
137.09579	3.1
143.08562	2.3
147.11684	9.7
149.13231	3.3
151.11156	6.5
152.06209	3.5
153.07001	2.6
161.13232	6.1
163.07524	5.4
163.14821	3.2
165.12721	3.3
167.07054	9.0
173.05948	4.8
173.13264	3.7
174.99223	11.2
175.14803	4.7
179.14316	4.8
203.10649	2.8
207.07936	2.4
233.03644	3.6
235.07497	2.7
251.04588	2.5
273.25763	8.0
273.76288	2.0
281.22763	3.3
291.26758	6.1
295.09695	7.7
312.10114	3.8
327.07834	10.4
327.12183	16.2
327.15854	4.4
327.23166	7.7
334.51151	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.1
54.29751	1.6
55.05508	22.7
57.07076	10.2
60.40258	1.4
67.05504	22.6
69.07067	35.8
69.32135	12.1
71.04989	2.6
71.08617	4.5
72.08146	2.0
79.05487	14.0
81.07053	28.9
83.04993	2.3
83.08621	25.6
85.06532	2.6
85.10130	2.0
91.05482	6.2
93.07042	15.2
95.08601	35.8
97.06528	6.6
97.10168	17.4
98.98461	100.0
99.08125	2.7
105.07028	6.8
107.04964	3.8
107.08595	13.7
109.10148	15.5
111.08123	2.3
111.11704	8.9
118.47144	1.8
119.08572	9.9
121.10139	16.4
123.04417	5.1
123.11693	6.3
125.09611	3.4
125.13228	2.0
130.74512	1.6
131.04924	2.1
131.08542	2.0
133.10101	8.0
135.11690	12.2
137.05971	4.5
137.13268	2.3
139.11137	1.9
143.08589	2.1
145.06421	1.9
147.04475	1.7
147.11682	5.0
149.13231	6.2
151.11200	2.9
151.14758	1.7
152.06184	2.6
153.07005	1.8
157.10136	2.3
161.13300	4.6
163.07565	2.3
163.14822	1.8
165.12907	2.0
167.07039	9.3
173.06038	8.0
174.99185	15.6
175.14821	5.3
187.14989	2.0
189.16425	2.8
191.18095	2.4
203.10625	1.9
203.18016	2.6
217.06503	1.9
221.05937	1.9
233.03586	3.7
234.06740	2.0
235.07547	2.3
252.07788	1.8
266.05960	1.8
267.10110	1.9
273.25766	10.9
281.08160	3.4
281.22681	2.7
283.09711	1.6
284.10196	2.0
291.26767	10.0
292.27158	1.7
295.09637	5.8
309.27844	5.7
311.09201	3.9
312.09906	5.4
327.08136	11.2
327.12250	24.5
327.15979	2.4
327.19421	2.7
327.22922	3.9
328.32071	1.9
328.35696	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.9
54.79580	0.3
55.01859	1.6
57.03435	3.0
59.96720	0.4
61.02927	4.6
66.06563	0.4
67.05501	0.8
69.03431	12.2
69.07044	0.5
69.20423	2.5
69.20824	0.5
71.04980	1.5
72.38233	0.4
73.02911	1.7
79.05486	0.7
81.03416	5.8
81.07055	0.5
81.91104	0.4
83.01335	0.5
85.02905	24.4
86.03260	0.5
87.04446	1.4
91.03938	1.8
91.05462	1.0
93.07046	1.3
95.04932	0.7
95.08641	0.7
97.02262	0.5
97.02890	8.5
98.98466	12.1
99.04475	2.1
99.04998	0.4
103.05457	1.0
104.04993	1.0
105.07049	0.7
106.02919	0.4
109.02872	3.4
109.06464	0.4
121.06518	0.6
121.10132	0.9
123.04418	0.9
124.03941	0.9
127.03899	5.3
131.04945	0.8
137.05989	2.7
138.05472	0.6
138.09129	1.1
139.11119	0.7
145.04965	5.4
145.06592	0.4
147.04401	0.8
148.02153	90.0
149.02492	2.9
149.05922	0.5
151.03912	1.1
151.07556	1.1
159.08102	0.5
161.05949	0.8
163.07529	1.5
164.08295	0.9
166.03223	100.0
166.08632	1.6
167.03561	3.1
167.10670	0.4
169.84480	0.4
174.99228	0.6
175.07487	0.4
202.10782	0.5
205.08664	0.5
217.04834	0.5
221.08139	0.4
233.08014	1.5
283.09607	1.1
284.33203	0.4
311.09039	1.0
328.08475	1.2
328.12753	1.3
329.10239	3.5
329.13608	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29264	2.1
57.03433	3.3
59.05005	33.0
68.07479	2.0
69.03435	2.1
69.37103	15.5
73.06560	100.0
74.06882	2.3
76.75364	2.1
81.03416	3.1
85.02914	8.1
95.08637	2.8
97.02894	2.4
98.98469	47.3
105.32854	2.1
109.02907	3.1
117.09148	6.7
120.08056	4.6
122.12492	2.1
131.10690	9.9
137.06035	2.6
138.09122	11.5
149.11726	49.0
159.10262	2.2
161.51921	2.4
166.08636	19.2
174.99277	3.9
202.10641	3.3
203.05122	2.4
329.12045	7.0
329.15781	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	328.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.1
55.01867	2.0
55.05509	9.6
56.99044	0.8
67.05502	6.8
69.03412	1.0
69.07070	9.2
69.14868	6.2
69.15283	2.2
71.04979	1.1
74.62075	0.8
79.05482	7.1
81.07061	7.2
83.04968	1.1
83.08611	6.6
84.96796	1.0
91.05457	4.6
93.07042	4.9
95.04935	1.2
95.08601	6.3
97.06505	1.8
97.10162	11.2
98.22565	1.5
98.98459	100.0
105.07018	5.0
107.04966	1.3
107.08574	12.6
108.08904	1.5
109.10150	2.0
111.08060	0.9
116.99490	2.5
117.07034	1.2
119.08562	3.8
121.06459	1.0
121.10183	1.3
125.09617	11.3
126.38769	1.0
131.08574	2.0
133.10104	2.1
135.08012	1.7
137.05952	5.2
138.06299	3.0
145.10104	1.9
147.11641	1.5
149.09612	2.8
151.07562	4.7
152.07883	3.1
153.09187	1.1
159.08105	1.2
159.11659	1.4
163.07582	1.0
169.06508	0.9
170.11760	1.6
171.10277	1.0
171.11646	1.4
174.99150	8.2
175.99612	1.0
176.98975	4.7
189.08630	1.2
189.11215	12.7
194.86986	1.0
196.05153	1.1
197.05981	2.6
198.06723	2.4
203.10771	1.3
204.10956	1.3
210.06763	1.2
211.07451	1.2
215.07074	1.6
225.05461	1.4
226.06200	2.8
227.06934	0.9
239.06906	1.3
241.08565	8.9
242.05736	1.7
243.06493	2.6
255.06447	2.3
257.08151	1.3
257.18967	1.4
269.08069	2.8
271.05945	3.8
275.20078	12.3
285.07562	3.3
286.08276	5.0
300.09760	1.2
301.10663	3.3
328.08942	3.7
328.16153	1.3
328.23148	0.9
329.10150	10.5
329.13583	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	6.7
55.01866	6.1
55.05518	37.8
56.05448	4.6
56.05848	9.1
67.05503	57.0
68.05824	4.8
69.03443	7.7
69.07062	17.6
69.28286	19.6
69.28713	18.6
70.07413	4.8
79.05490	42.6
81.03383	5.5
81.07059	33.5
83.04965	7.0
83.08616	16.8
84.08943	9.2
85.58254	4.5
91.05478	36.3
93.07038	34.3
95.04963	17.7
95.08607	19.6
97.10172	39.7
98.10499	14.9
98.98471	100.0
103.05465	24.8
105.07054	24.5
107.04953	18.9
107.08602	27.9
109.10149	31.0
115.05441	9.4
117.07019	7.5
117.26130	4.7
119.08582	12.1
121.06487	5.3
121.10158	20.5
125.09641	36.2
126.10004	18.1
131.01419	5.1
131.04929	8.8
131.08548	16.1
133.10117	13.0
134.99770	5.0
135.04424	6.8
135.08057	5.3
137.05981	37.1
137.09616	8.2
139.11200	14.3
145.06488	16.4
145.10164	7.2
147.04402	6.5
147.11606	6.1
149.05942	8.0
151.07545	12.3
152.07880	8.8
153.08992	5.7
154.09500	6.1
155.10725	5.2
159.08104	13.5
163.03772	7.2
163.07591	31.1
164.08040	8.8
172.08365	4.7
172.13333	20.3
173.11763	15.0
174.99252	8.5
177.09108	6.8
187.07552	10.1
189.11194	24.0
190.11572	23.4
204.11003	6.9
205.08644	18.8
211.55080	5.4
275.19968	9.3
314.08380	4.9
328.08969	35.7
328.12454	9.3
329.10168	9.7
329.13797	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	328.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.1
55.01873	1.2
55.05510	4.4
57.03432	1.2
57.07041	0.8
65.03936	1.0
67.05505	6.2
69.03412	0.8
69.07066	4.3
69.07957	2.0
69.08362	4.7
71.04973	1.2
79.05491	7.7
81.07049	5.3
83.04976	1.0
83.08624	2.9
83.41815	0.8
85.06567	0.8
91.05472	8.3
92.05824	1.0
93.07042	5.3
95.04955	1.4
95.08585	4.1
97.10194	4.3
98.98463	50.7
103.05463	15.7
105.07025	6.3
107.04977	3.1
107.08586	4.0
109.06504	1.6
109.10166	3.1
115.05475	2.8
116.99471	1.1
117.07026	3.1
119.04959	3.0
119.08567	2.1
121.06498	1.4
121.10151	3.4
122.03661	1.7
123.04435	6.1
123.08048	1.7
125.05982	1.6
125.09618	3.1
131.04915	7.6
131.08580	4.0
133.06477	1.0
133.10123	2.6
135.04431	3.7
135.08049	2.6
137.05975	25.1
137.09642	1.0
138.06331	2.4
141.06946	1.1
143.04915	1.2
144.05696	0.8
145.06480	8.8
145.10152	1.2
147.04420	3.2
148.05180	2.4
149.05957	5.4
149.09665	0.7
151.03940	1.2
151.07527	11.1
152.07866	4.4
153.05479	2.0
157.10112	1.0
159.08055	8.1
159.11665	1.1
161.05994	4.1
162.06729	0.9
163.03929	1.9
163.07549	15.4
163.11250	0.9
164.08340	4.5
165.05487	1.1
165.09181	1.3
167.03482	0.9
167.07092	2.8
172.13338	0.8
172.60141	0.9
173.11804	1.6
174.99234	4.2
175.07538	1.7
176.98929	1.6
177.05455	1.5
177.09166	2.7
179.03435	1.1
179.07019	2.0
179.08504	0.9
181.05002	4.5
187.07530	4.9
189.11230	2.4
191.07033	2.0
193.01280	0.9
193.04924	1.2
195.08093	0.9
203.10753	0.9
204.11047	2.6
205.08586	12.5
211.07512	1.2
218.07225	1.0
225.09056	2.2
233.09634	2.7
240.07538	1.4
241.08575	1.4
241.12256	1.3
243.06425	5.9
251.10748	1.2
253.08563	2.2
257.08081	3.6
258.08838	3.6
261.09113	1.6
267.10162	0.8
270.08752	1.3
271.05981	4.1
271.09238	1.4
275.20013	3.6
279.10162	4.0
282.08932	0.9
283.05624	1.2
285.07532	4.2
285.11093	1.8
286.08398	6.9
293.11865	1.4
293.14905	0.9
296.10352	1.8
299.05453	4.3
311.09122	4.3
311.12717	5.1
311.16422	2.3
313.07098	5.9
313.10184	1.2
314.07822	16.3
326.07397	5.1
328.08957	13.0
328.12616	2.5
328.16177	2.1
329.10184	100.0
329.13715	7.3
329.17917	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	328.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.7
54.65498	1.3
55.05268	1.8
55.05511	33.6
57.06820	2.3
57.07075	27.6
67.05490	5.4
68.99788	2.0
69.07066	64.9
69.51595	6.0
69.52006	3.2
71.08626	15.5
72.04498	3.4
72.08163	2.0
78.46159	1.6
79.05482	3.1
81.07057	7.7
83.08614	46.1
85.06538	1.7
85.10178	8.9
91.05478	2.7
93.07035	3.2
95.08617	7.8
97.06543	2.9
97.10165	35.9
98.98466	40.3
100.00871	1.6
107.08593	3.8
109.10123	3.5
111.11713	11.5
114.12835	2.1
116.01646	1.6
121.10123	2.7
123.11679	4.2
125.13274	4.7
125.51508	1.9
129.01820	6.1
135.11668	4.1
137.05969	3.1
137.81610	1.6
139.00281	2.1
139.14754	2.3
139.98167	1.5
142.15813	2.0
149.13251	2.4
154.15935	1.6
156.17462	5.3
157.01265	2.5
163.14775	3.5
174.99236	3.6
179.03316	1.6
191.17908	2.4
195.17409	1.8
198.18591	2.5
205.08601	1.6
206.67664	1.7
209.19069	2.6
212.20070	2.7
223.20595	1.7
270.08356	2.2
275.27405	9.0
282.63272	1.5
285.10764	4.0
286.08401	3.2
293.28397	17.5
310.31021	100.0
311.31180	6.8
312.09628	7.9
313.10214	20.2
314.07724	6.1
328.08896	3.7
328.12561	60.1
328.23322	2.4
329.09845	11.0
329.13187	3.6
329.16986	2.2
329.21106	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.029
Annotation	Unknow
Peak:m/z	Relative Intensity
69.04142	0.6
69.04548	2.1
70.57827	0.2
70.77439	0.2
80.99631	0.3
82.35462	0.2
87.02333	0.3
91.05487	0.6
95.08627	0.3
98.23355	0.4
98.98466	13.4
102.04660	0.8
102.43971	0.3
103.05426	0.7
107.04939	0.4
109.45226	0.3
115.05474	0.6
122.03607	0.3
129.03354	1.0
130.04068	0.3
131.04884	0.6
137.05994	3.9
140.07828	0.3
144.02011	0.4
145.06471	0.3
146.03603	0.5
147.04369	0.7
149.05859	0.4
151.03917	0.7
151.07556	0.3
152.06075	0.4
154.07753	0.3
155.01294	0.7
155.04892	0.3
157.02809	1.4
161.06041	0.6
162.06703	0.7
163.07451	0.7
165.06984	0.5
167.03334	0.4
169.02916	0.6
171.00853	0.3
171.04373	0.7
172.01451	0.4
173.02251	0.3
174.03137	0.9
174.99214	0.9
175.03905	0.6
175.07524	0.4
176.98859	0.4
177.05513	0.5
181.06477	0.3
183.00757	0.9
185.02345	6.1
187.03954	0.3
197.02322	0.7
199.03789	0.3
200.00986	0.8
202.02626	2.1
205.08603	0.4
210.06705	0.3
211.00266	1.7
213.01833	2.2
215.03320	0.6
221.05855	0.5
223.11212	0.3
225.01810	4.1
225.09134	0.4
227.03397	0.6
227.06895	0.4
228.00536	3.6
229.01256	1.3
230.02046	3.0
233.09633	0.3
238.99725	4.5
240.00468	0.5
240.07793	0.5
241.01326	5.1
242.01685	0.5
243.03072	0.4
251.10638	0.3
253.01349	3.7
253.08525	0.6
254.01733	0.3
255.99960	1.4
257.00803	0.6
258.01627	2.1
259.02316	0.4
268.07205	1.3
269.00797	40.8
270.01199	2.2
270.08875	0.8
271.02359	8.4
272.02725	0.5
283.09641	2.5
283.13309	1.3
283.99487	1.5
285.00192	0.7
286.01089	6.4
287.01657	0.3
297.00287	45.4
298.00784	4.4
299.01840	9.9
300.02246	0.7
301.03442	0.6
311.12796	1.3
311.98889	0.3
312.99707	3.6
314.00552	18.2
315.00876	1.0
315.08740	0.4
329.02899	100.0
329.13232	1.9
330.03265	6.5
335.44873	0.3
346.05212	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.102
Annotation	Perseal C
Peak:m/z	Relative Intensity
53.03935	1.3
55.01870	0.9
55.05516	0.9
57.03441	0.8
65.03929	1.2
67.05511	2.9
68.99788	1.2
69.07072	0.7
70.36446	0.7
70.36781	1.2
71.04957	0.5
72.08149	0.9
79.05492	2.8
81.07055	2.6
83.01344	0.5
83.04970	0.7
83.08587	1.0
91.05480	7.1
93.03422	0.7
93.07028	1.1
94.04156	0.9
95.04979	3.1
95.08620	1.5
97.02892	0.8
98.98467	27.9
103.05467	17.3
105.03406	0.9
105.04575	0.8
105.07044	2.2
107.04942	2.9
107.08605	0.7
109.02894	0.7
109.06537	1.6
110.58828	0.5
111.04443	0.9
113.02287	0.6
115.05448	3.1
116.99493	1.0
117.07021	3.5
119.04931	3.0
120.05713	1.2
121.06501	0.9
121.10180	0.6
122.03664	1.4
123.04431	6.8
125.06007	1.6
131.04922	9.7
131.08546	3.1
131.09470	0.6
132.05676	0.7
133.06490	16.6
133.07500	0.8
133.10095	1.1
134.03665	0.6
135.04419	38.0
135.05341	1.3
135.08038	2.2
136.04976	0.7
137.02351	2.0
137.05978	26.4
138.06305	1.2
141.06987	1.4
143.04922	1.0
144.05690	1.0
145.06488	11.3
145.07579	0.8
147.04422	4.1
148.05214	2.9
149.05992	5.4
151.03906	47.4
151.07538	8.6
152.04256	1.5
153.05498	2.8
154.02663	0.8
155.08514	0.6
159.08067	10.6
161.05963	3.4
161.09615	0.7
162.06755	0.6
163.07555	18.6
164.08322	7.3
165.05527	1.2
165.09102	1.1
167.07062	2.1
169.01337	1.3
169.04980	11.7
169.06413	1.2
173.06067	0.6
174.99245	1.7
175.07579	1.2
176.98888	0.8
177.05533	1.3
177.09094	4.8
179.03426	2.2
179.07051	2.5
179.08507	0.9
182.02119	5.4
183.04494	0.7
187.07542	5.8
191.07011	3.1
197.04488	4.4
197.06062	0.9
199.07545	0.8
200.03137	2.7
205.08589	16.2
205.10391	1.2
206.08897	1.1
208.08769	0.9
208.94977	0.5
209.09587	1.1
210.06812	1.1
211.07602	0.9
212.08388	0.9
213.09093	0.9
218.07262	0.8
223.11139	0.7
224.08115	0.6
225.09125	1.3
227.10657	1.0
233.09625	1.8
237.08992	1.0
239.06996	0.9
239.10728	0.8
240.07835	1.1
241.08583	1.4
250.06158	0.7
251.06995	0.6
251.10652	2.0
253.08583	2.1
254.09464	1.0
255.06468	0.7
255.10191	1.5
259.28867	0.5
261.09134	2.1
263.07111	0.6
264.07767	1.2
265.08679	2.8
267.06369	1.3
268.07318	1.0
269.08163	0.9
269.11774	1.0
271.06046	0.8
271.09610	1.4
278.09171	0.6
279.10144	4.9
281.08237	0.6
282.08905	0.8
283.09653	61.8
284.09961	4.6
285.08014	0.8
285.11292	2.1
286.08313	1.6
287.09116	1.4
296.06757	0.6
296.10458	1.5
297.07700	0.8
297.11139	0.6
311.05655	0.5
311.09146	12.0
311.12787	7.2
312.09671	1.7
313.07108	3.2
314.07846	24.5
315.08273	2.2
329.10205	100.0
329.13763	10.5
330.10498	7.1
330.14017	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1019
Annotation	8-Hydroxy-5,6,7-trimethoxyflavone
Peak:m/z	Relative Intensity
55.01859	0.2
63.04699	0.1
67.05476	0.2
68.05605	0.1
68.74755	0.1
69.07063	0.1
79.05478	0.3
81.07046	0.4
91.05473	1.0
93.06997	0.2
95.04915	0.2
95.08571	0.5
98.23389	0.2
98.98460	5.5
103.05463	1.8
105.06949	0.2
105.25769	0.1
107.04939	0.3
115.05426	0.4
117.07015	0.4
119.04910	0.2
121.06455	0.2
122.03683	0.2
123.04401	0.7
123.08041	0.5
125.05952	0.2
131.04913	1.3
131.08540	0.4
133.06459	0.2
133.10065	0.2
135.04410	0.2
135.08022	0.3
136.05074	0.1
137.05966	2.7
138.06326	0.2
141.06998	0.2
141.09036	0.3
145.06488	1.1
147.04401	0.4
148.05197	0.3
149.05948	0.9
151.03888	0.3
151.07553	1.0
153.05447	0.3
159.08083	1.1
161.05949	0.3
163.07539	2.0
164.08342	0.8
165.05455	0.2
167.03336	0.4
167.06999	0.2
174.99121	0.3
177.05510	0.2
177.09108	0.5
179.03345	0.2
179.07030	0.2
181.04951	4.1
182.05350	0.2
182.06963	0.2
187.07510	0.7
187.09624	0.1
191.07027	0.3
205.08585	1.7
225.08861	0.1
229.08595	0.2
233.09596	0.3
241.08418	0.2
243.06563	0.2
251.10512	0.1
253.08540	0.3
257.08072	2.4
258.08731	0.4
261.08978	0.2
279.09924	0.3
283.09818	0.2
285.07547	1.4
286.08331	46.1
287.08670	3.1
297.07700	0.2
311.12769	0.5
314.07809	57.5
315.08173	4.5
329.10159	100.0
330.10507	8.2
344.18710	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1019
Annotation	2-(3,4-Dimethoxyphenyl)-3-hydroxy-7-methoxy-4H-chromen-4-one
Peak:m/z	Relative Intensity
65.03934	0.5
70.00815	0.9
72.10523	0.3
74.66122	0.3
79.05482	0.4
80.02654	0.3
88.71451	0.3
89.03869	0.3
91.05486	1.9
93.03379	0.3
95.04961	0.3
98.22708	0.3
98.98460	4.1
103.05469	5.3
105.06991	0.3
107.04939	0.7
108.02099	11.1
108.05732	0.3
109.02454	0.3
109.06440	0.4
111.04456	0.3
115.05432	1.3
117.03379	0.3
117.06973	1.0
119.04888	0.8
121.06484	0.4
122.03628	0.7
123.04429	1.7
125.05965	0.5
131.04909	3.6
131.08539	0.9
132.04694	0.4
132.05708	7.4
133.06497	12.0
134.06847	0.5
135.04405	5.3
135.08099	0.5
136.01549	8.0
137.05965	8.2
138.06313	0.4
141.06960	0.8
144.05750	0.3
145.06487	3.3
147.04369	1.1
148.05161	0.8
149.05974	1.6
151.03888	0.5
151.07549	2.8
152.01048	0.6
153.01712	0.3
153.05521	0.6
153.06947	0.3
154.02599	4.5
159.08073	3.1
161.05943	0.9
163.07552	5.5
164.08327	1.8
165.05582	0.5
167.07048	0.6
169.06476	2.1
170.02124	0.6
177.05443	0.3
177.09097	1.0
179.07021	0.9
181.06441	0.9
183.08023	0.4
184.08801	1.4
187.07549	2.2
188.08221	0.5
191.07008	1.0
197.05937	1.4
205.08583	5.7
211.07503	1.1
212.08279	0.7
222.06784	0.4
225.05498	0.8
233.09674	0.8
236.08357	0.3
239.06895	0.4
240.07822	5.5
243.06496	0.6
251.06882	0.3
251.10620	0.3
253.04976	0.5
253.08578	0.4
261.09116	0.7
267.06387	0.6
268.07294	46.4
269.07645	2.9
270.05182	0.7
271.05988	1.7
271.09583	0.3
279.10123	1.2
282.08771	0.7
284.06757	1.0
285.07581	2.1
285.10291	0.3
286.08282	0.8
293.11783	0.4
295.06000	0.4
296.06793	35.5
297.07175	2.9
299.05405	1.4
311.09192	0.6
311.12735	2.0
313.06998	2.8
314.07803	12.0
315.08255	0.8
329.10175	100.0
329.13504	4.0
330.10522	8.4
330.14392	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.102
Annotation	Perseal C
Peak:m/z	Relative Intensity
53.03935	1.5
53.62304	0.5
53.67609	0.5
55.01863	1.2
55.05501	1.2
56.99267	0.6
57.03422	1.0
65.03922	1.5
66.04710	0.5
67.05502	2.9
68.99775	1.5
69.04896	0.9
69.05299	5.1
69.07085	0.5
71.04989	0.9
72.08144	1.0
77.03919	0.8
79.05489	2.4
81.07050	2.4
83.01338	0.8
83.02105	0.6
89.03844	0.5
91.05474	8.0
93.03401	1.4
93.07026	1.2
94.04193	0.7
95.04967	4.7
95.08609	1.8
97.02905	0.6
97.10172	0.9
98.98464	33.5
103.05463	20.5
103.05992	0.4
105.03388	1.0
105.07050	2.8
107.04926	3.2
107.08585	1.3
109.06491	1.6
110.69980	0.5
111.04470	0.9
113.02366	0.9
115.05436	3.1
116.99483	0.8
117.07025	3.8
119.04942	2.5
119.08578	1.1
121.06509	2.2
122.03635	2.4
123.04420	9.3
125.05981	2.1
129.06985	0.8
131.04929	11.7
131.08565	3.5
132.05737	0.7
133.06487	16.5
135.04410	39.7
135.08043	2.5
136.05063	1.2
137.02359	1.3
137.05971	28.5
137.19652	0.5
138.06342	1.4
141.07002	1.0
143.04947	1.4
144.05679	1.8
145.06480	12.0
146.06879	0.6
147.04390	3.9
148.05176	4.0
149.05971	6.0
151.03897	46.4
151.07529	8.9
152.04271	1.5
152.07848	0.8
153.05455	2.5
154.02562	0.9
157.10152	0.7
159.08044	11.2
161.02373	0.5
161.05983	3.0
162.06752	0.6
163.07532	20.7
164.08325	7.2
165.05473	1.7
165.06973	1.3
165.09047	0.8
167.07036	2.0
167.08482	0.7
169.01355	0.7
169.04977	11.6
169.06393	0.9
174.99214	2.8
175.07492	0.8
176.29065	0.6
176.98897	1.3
177.05499	1.6
177.09091	3.7
179.03409	1.8
179.07054	3.3
179.08493	0.8
182.02060	4.7
185.05939	0.6
185.09686	0.6
187.07538	7.1
190.07663	1.0
191.07016	3.0
197.04439	4.5
199.11266	0.7
200.03137	2.5
201.05569	0.9
205.06665	1.1
205.08577	17.4
205.10408	1.2
206.08942	0.8
209.09570	1.2
211.07614	0.9
212.08330	0.7
223.07581	1.2
223.11078	0.8
225.09085	1.3
227.10681	1.3
230.05219	0.5
233.09593	2.3
235.07567	1.1
237.09047	0.8
239.07010	1.7
240.07736	0.9
241.08455	1.0
243.06624	0.7
251.10628	1.7
253.08588	3.0
255.06660	0.8
255.10106	2.0
256.07123	0.6
259.76385	0.6
261.09100	3.7
264.07797	1.0
265.08618	3.1
267.06543	1.2
268.07263	1.3
269.08136	1.5
269.11542	1.1
271.05865	1.2
271.09546	1.1
279.10165	5.6
281.08209	1.1
282.08905	1.8
283.09628	60.2
284.09839	3.3
285.07813	0.9
285.11148	1.5
286.08237	1.2
287.09033	0.9
293.11838	1.5
296.07034	1.0
296.10428	1.7
311.09134	13.6
311.12769	7.6
312.09720	2.4
313.06927	3.3
314.07803	24.9
315.08292	1.6
329.10178	100.0
329.13745	9.6
330.10455	7.0
330.13965	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1019
Annotation	Perseal C
Peak:m/z	Relative Intensity
53.03947	0.7
53.19507	0.6
55.01873	0.8
55.05513	1.6
57.07062	1.7
65.03948	1.1
67.05486	1.3
69.03424	1.0
69.07064	0.5
70.63211	1.1
70.63548	0.8
78.97288	0.5
79.05477	1.4
81.03416	2.4
81.07057	1.9
83.08611	1.2
85.06533	1.4
86.23192	0.5
91.05483	1.8
93.07048	1.5
95.04960	2.0
95.08601	1.7
97.10179	1.9
98.98462	89.5
100.98876	1.1
103.05459	0.9
105.07008	0.7
107.08576	0.8
109.06542	0.6
111.04454	0.9
111.09153	0.7
116.99506	2.7
117.07063	0.6
119.08542	1.0
121.02867	6.4
121.10176	0.8
125.09618	1.7
131.08620	0.8
133.06479	4.3
135.04390	4.5
135.07967	0.8
137.05981	1.6
139.03909	0.7
149.02321	6.8
151.03864	1.1
159.11720	0.7
165.06946	0.6
167.03430	1.7
169.05013	0.8
174.99219	6.5
176.98898	2.7
179.03383	11.8
181.06476	0.6
189.11192	1.3
190.48424	0.6
197.04500	4.6
198.06795	0.6
219.17468	1.8
225.05605	0.6
225.09093	1.3
238.06204	3.4
241.08527	0.8
252.99734	0.8
266.05838	3.2
267.06558	0.6
268.07288	3.1
269.07907	0.8
271.06110	0.9
281.08081	20.6
282.08450	1.4
283.06244	0.6
283.09659	0.6
296.06717	2.7
297.07309	0.8
299.09174	0.6
311.09109	100.0
312.09442	7.9
325.50467	0.7
329.10126	2.3
329.13681	1.1
329.17111	0.7
329.20941	0.8
329.24628	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1017
Annotation	2-(3,4-Dimethoxyphenyl)-3-hydroxy-7-methoxy-4H-chromen-4-one
Peak:m/z	Relative Intensity
53.03955	0.3
65.03935	0.2
67.05521	0.3
79.05482	0.6
81.03378	0.2
81.07050	0.6
87.50639	0.2
91.05474	1.6
93.03410	0.3
93.07009	0.2
94.04189	0.5
95.04973	0.3
95.08596	1.0
98.22521	0.5
98.98466	3.0
103.05465	4.2
105.03397	0.5
105.07028	0.7
107.02505	0.3
107.04948	0.9
108.05743	0.3
109.06506	0.7
115.05468	0.6
117.07020	0.5
119.04942	0.6
121.06506	1.5
122.03657	0.5
123.04431	1.6
123.08060	1.1
125.05974	0.4
129.06996	0.2
131.04924	2.5
131.08554	1.0
133.02953	0.2
135.04413	3.2
135.08043	0.4
137.05974	6.0
138.06372	0.3
141.07021	0.2
143.04907	0.4
145.06480	2.4
147.04424	0.9
148.05177	0.7
149.05983	1.5
151.03896	0.6
151.07535	2.4
152.36777	0.2
153.05499	0.6
159.08041	2.2
161.05968	0.7
163.07538	4.0
164.08357	1.6
165.01837	0.5
165.05571	0.5
167.03375	0.3
167.07053	1.8
169.06541	0.2
175.07497	0.2
177.05461	0.3
177.09105	0.8
179.07047	0.9
180.04198	0.5
181.04964	3.7
187.07547	1.1
187.09712	0.3
189.08978	0.2
191.06992	0.7
193.04933	1.3
205.08578	3.7
205.10359	0.3
206.08919	0.3
209.09567	0.4
210.06754	0.2
211.05852	0.3
211.07588	0.3
212.08302	0.2
215.06996	0.3
222.06607	0.2
225.05409	0.3
225.08960	0.4
227.07016	0.6
229.31197	0.2
230.09225	0.2
233.09633	0.5
239.07051	0.4
240.07788	0.9
241.08571	0.3
243.06549	4.8
244.06828	0.4
251.06958	0.3
251.10669	0.4
253.04959	0.4
253.08623	0.5
255.06512	0.5
256.07272	0.3
257.08109	3.4
258.08862	3.5
259.09113	0.3
260.10165	0.2
261.09058	0.4
264.07700	0.3
268.07202	0.8
269.08060	0.5
270.08817	0.4
271.06003	4.0
272.06458	0.5
279.10165	0.8
281.08154	0.4
282.08957	0.5
283.05994	0.9
283.09155	0.3
285.07611	2.8
285.10678	0.2
286.08334	6.4
287.08667	0.4
296.07053	0.2
296.10281	0.3
297.07620	0.6
298.04846	0.4
299.05505	3.9
300.06137	0.3
300.09680	0.5
311.09448	0.4
311.12518	1.1
313.07047	6.9
314.07800	15.5
314.48669	0.2
315.08273	1.0
329.10175	100.0
330.10504	7.5
330.14413	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1018
Annotation	Perseal C
Peak:m/z	Relative Intensity
53.03925	0.8
55.01874	2.1
65.03954	0.9
67.05506	2.0
69.70999	3.0
79.05492	1.7
81.07056	0.9
83.01343	2.7
91.05476	8.6
93.07054	1.4
94.04207	1.3
95.04963	2.9
95.08617	1.4
98.98462	50.4
100.69385	0.8
103.05462	22.8
103.06107	1.5
105.07028	1.9
107.04955	2.8
109.02904	0.9
109.06516	2.0
111.04434	1.6
115.05432	2.8
117.07006	5.2
119.04958	2.5
119.08533	1.1
121.06476	1.6
122.03662	3.6
123.04427	9.1
124.05235	1.0
125.05981	1.3
131.04918	12.2
131.08578	4.1
133.06541	4.6
135.04402	7.5
135.08058	2.7
136.05193	2.6
137.02364	5.7
137.05974	31.0
141.01900	1.9
141.07016	1.8
143.04913	1.7
144.05695	1.2
145.06482	12.9
147.04410	4.9
148.05209	3.5
149.05928	6.9
151.03896	5.3
151.07539	9.8
153.05438	2.7
155.03349	1.0
159.08070	11.1
161.05946	4.8
162.06740	1.5
163.07536	21.0
164.08330	7.5
165.05516	1.6
165.06981	1.3
165.09138	1.1
167.03281	1.8
167.07094	3.0
174.99229	5.1
175.07564	1.4
176.98947	2.8
177.05530	1.7
177.09103	6.0
179.03380	29.2
179.06961	4.1
179.08447	0.9
180.04073	1.8
181.06407	1.1
185.49197	0.8
187.07487	7.1
188.08386	1.2
191.07030	3.4
195.08098	0.9
197.04425	5.7
197.09608	1.0
205.08585	20.7
207.08029	2.0
209.09558	1.8
210.06676	1.1
211.07686	1.3
212.08281	1.2
218.07314	2.3
221.05937	1.8
223.11206	0.9
224.08298	1.1
225.09128	2.5
227.10736	1.2
233.09637	3.5
235.07541	1.6
236.08261	1.2
237.09119	1.0
239.06941	1.3
239.10703	1.5
240.07735	0.9
241.08742	1.5
241.12321	1.0
249.05556	0.9
251.07056	0.9
251.10658	4.3
253.08652	2.1
254.09221	1.2
255.06714	1.1
259.05994	1.0
261.09149	3.7
263.07034	1.0
264.07819	2.1
265.12277	1.6
268.07303	3.3
269.11719	0.9
271.09650	1.5
279.10132	7.9
281.08121	1.9
282.08762	1.6
283.10062	0.8
283.13312	2.9
285.07712	1.9
285.11249	2.2
286.08374	9.7
287.05640	1.0
293.11731	3.6
296.06851	2.3
296.10455	2.1
297.07532	1.4
297.10663	0.8
299.05484	1.6
311.09155	100.0
311.12692	11.5
312.09445	6.1
312.12732	1.2
313.07019	13.9
314.07788	30.4
315.04898	1.2
315.08377	1.8
329.10172	66.7
329.13855	14.5
330.07266	1.7
330.10660	3.8
330.14154	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1017
Annotation	8-Hydroxy-5,6,7-trimethoxyflavone
Peak:m/z	Relative Intensity
52.29998	0.3
53.56787	0.3
69.68185	1.5
80.36267	0.3
93.88642	0.3
96.97755	0.4
98.98441	0.4
107.04865	0.3
148.03734	0.3
163.54025	0.3
181.04951	1.3
194.23283	0.4
243.06523	4.6
257.08011	1.1
271.05957	3.3
285.07620	1.2
286.08334	37.4
287.08722	1.6
313.06998	1.2
314.07809	51.4
315.08081	3.3
329.10156	100.0
330.10464	8.6
339.75351	0.3
353.75952	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1019
Annotation	7-Hydroxy-8,3',4'-trimethoxyisoflavone
Peak:m/z	Relative Intensity
51.02351	1.4
53.03903	2.4
55.01863	4.6
55.05483	1.7
57.03408	1.1
64.74584	0.6
65.03908	1.5
67.01844	0.8
67.05453	2.1
68.99758	1.7
69.03426	38.5
69.07066	3.5
70.03708	0.7
71.04945	2.7
71.21973	0.9
71.22308	0.9
77.03907	1.1
78.04671	0.7
78.96023	0.6
79.01861	3.5
79.05491	4.9
80.02644	0.8
80.71912	0.6
81.03374	2.4
81.07050	5.1
82.14552	0.6
83.08607	1.0
85.02863	2.0
86.14012	0.7
87.74590	0.7
91.05478	11.0
93.03384	0.9
93.07042	8.0
94.15403	0.7
95.01258	0.8
95.04965	7.1
95.08551	2.5
97.02858	2.3
97.06487	0.9
98.98460	29.5
102.40958	0.7
103.05460	19.0
104.06270	0.8
105.04437	1.1
105.07017	4.9
107.04938	6.3
107.08594	4.0
108.02052	2.7
109.02832	1.5
109.06474	2.1
109.10130	1.8
109.91543	0.6
111.04353	1.2
115.05402	1.8
117.06956	2.1
118.04121	1.7
119.04918	6.1
119.08536	2.4
121.02802	1.2
121.06505	12.0
121.10159	3.8
122.03611	1.7
123.00802	3.4
123.04424	5.3
123.08039	1.7
125.05927	1.2
129.06956	1.7
129.49924	0.7
131.04907	7.0
131.08516	2.3
132.05649	2.5
133.06488	25.5
135.04414	24.4
135.05452	1.9
135.07956	1.7
136.04768	0.9
137.02333	14.4
137.05969	28.7
137.09561	1.1
139.03859	4.2
143.08488	1.2
145.06416	2.4
147.00696	1.3
147.04382	8.6
147.07993	1.1
148.05153	1.1
149.05975	22.0
149.09596	1.8
151.03900	27.7
151.07495	5.6
153.05434	1.8
153.06827	1.0
155.03339	1.7
159.04372	1.0
159.08086	6.3
159.11655	1.3
161.05922	1.7
162.06688	0.8
163.03955	1.0
163.07538	8.8
164.04596	1.5
164.08319	34.7
165.01830	68.7
165.05489	6.5
165.09077	4.2
166.02177	2.1
167.06973	1.5
167.10641	1.5
169.04895	3.1
169.06369	1.1
171.08020	2.4
174.99193	2.4
175.07483	1.5
177.05457	3.5
177.09135	3.9
177.12668	0.9
179.03325	3.0
179.06996	2.1
179.14275	0.9
181.06363	0.8
181.08568	4.4
183.02882	19.4
184.03372	1.3
187.07501	3.7
189.09074	1.9
190.06259	5.2
191.06992	6.4
195.08041	1.7
197.04439	13.6
197.06071	0.8
199.07462	0.9
203.10678	0.9
203.14384	0.8
205.08591	17.5
206.08928	1.1
209.05933	1.3
211.07556	0.9
213.09010	1.0
223.07516	1.1
225.09004	1.1
227.07037	4.1
233.09554	1.0
240.07639	3.5
241.08527	2.8
243.06564	0.9
251.07062	1.8
251.10437	1.0
252.99500	0.8
253.08475	1.2
255.06499	13.3
255.09291	1.2
255.10191	1.3
256.06924	1.1
265.12216	1.7
268.07297	11.1
269.08066	20.6
269.11038	1.1
270.08640	2.1
271.06024	2.9
279.06619	0.9
279.09937	1.4
283.09601	17.5
283.12869	1.1
284.09854	0.8
286.08374	1.8
287.09143	5.2
288.09824	2.0
296.06784	4.5
297.07550	100.0
298.08087	9.9
299.08911	1.1
302.21365	0.8
311.09116	71.3
311.12509	3.2
312.09512	5.3
314.07877	3.7
329.06860	3.3
329.10165	87.3
329.13733	7.3
330.10480	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	329.1019
Annotation	2-(3,4-Dimethoxyphenyl)-3-hydroxy-7-methoxy-4H-chromen-4-one
Peak:m/z	Relative Intensity
55.01823	0.9
56.55932	0.3
59.59235	0.2
63.67912	0.3
67.05480	0.5
69.15785	2.5
79.05450	0.6
81.07002	0.7
81.99322	0.2
91.05481	1.8
92.74664	0.3
93.06995	0.5
94.04136	0.4
95.04940	0.3
95.08524	0.3
98.98467	5.6
103.05466	5.8
105.06982	0.7
107.04974	1.4
107.08566	0.4
107.30219	0.3
109.06474	0.6
115.05405	0.9
117.06962	1.2
119.04865	1.1
121.06468	0.4
122.03636	0.5
123.04455	1.9
131.04912	3.4
131.08496	1.1
133.06377	0.4
135.04384	0.6
135.08018	0.7
136.05130	0.5
137.05980	8.7
141.06996	0.5
143.04851	0.8
145.05450	0.4
145.06473	3.6
147.04427	1.7
148.05110	0.9
149.05983	2.2
151.03853	1.6
151.07576	3.1
153.05399	0.7
159.08046	3.3
159.11624	0.3
161.05933	1.2
163.07538	6.1
164.08342	1.9
165.01790	0.7
165.05568	0.4
167.06949	0.8
169.06432	0.4
175.07536	0.5
177.09120	1.6
179.07043	1.5
181.04892	1.3
187.07576	2.1
190.07690	0.4
191.06995	0.7
200.03128	0.3
201.05460	0.6
205.08569	5.5
206.08998	0.3
218.07292	0.3
225.05455	0.7
229.04828	0.5
233.09557	0.7
235.07549	0.5
239.06894	0.4
241.08618	0.5
243.06570	1.6
251.10643	0.6
253.04964	0.4
253.08620	0.7
257.08057	1.4
261.09058	0.6
263.06909	0.4
264.07861	0.5
271.06036	3.6
271.09152	0.5
279.10159	1.1
282.08716	0.5
285.07639	1.5
286.08344	35.9
287.08710	2.9
293.11713	0.5
296.10403	0.5
299.05548	0.6
311.09491	0.5
311.12662	2.3
313.06985	1.0
314.07825	60.3
315.08112	3.8
329.10178	100.0
330.10486	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	329.1014
Annotation	8-Hydroxy-5,6,7-trimethoxyflavone
Peak:m/z	Relative Intensity
53.03920	0.2
55.01851	0.3
55.05477	0.3
57.03422	0.2
59.04986	0.1
65.03920	0.2
67.05476	0.4
67.09418	0.1
67.58036	0.1
69.03426	0.3
69.07045	0.2
69.64575	0.2
69.64966	0.3
71.04951	0.3
79.05488	0.8
80.36238	0.1
81.03389	0.3
81.07056	0.7
83.06428	0.1
83.08611	0.1
85.02896	0.2
85.06480	0.1
91.05482	1.1
93.07035	0.8
95.04938	0.4
95.08600	0.5
97.02847	0.1
97.10146	0.2
98.11739	0.1
98.98467	4.6
103.05466	1.2
105.07038	1.1
107.04916	0.4
107.08556	0.3
109.02859	0.2
109.06512	0.3
109.10110	0.2
111.04424	0.3
115.05418	0.3
117.07001	0.3
119.04883	0.3
119.08527	0.4
121.06491	0.7
121.10120	0.3
122.03645	0.2
123.04436	0.5
123.07993	0.1
124.05190	0.1
125.09653	0.2
127.11205	0.1
129.06984	0.3
131.04933	0.9
131.08597	0.7
133.06438	0.4
133.10089	0.2
135.04391	0.3
135.07980	0.3
135.11618	0.1
137.02309	0.3
137.05977	3.1
139.03857	0.5
141.06946	0.3
143.08572	0.3
145.06491	0.5
145.10127	0.3
146.07220	0.2
147.03345	0.1
147.04417	0.7
147.11617	0.1
149.05960	1.7
149.09572	0.3
150.06653	0.1
151.03908	1.0
151.07538	0.3
152.06119	0.1
153.05453	0.4
153.06735	0.1
155.08510	0.1
157.06395	0.1
157.10060	0.2
159.08063	1.3
159.11717	0.2
161.05934	0.6
161.09500	0.1
162.06680	0.1
163.07533	1.3
164.08299	0.6
165.05502	0.7
165.06747	0.2
165.09128	1.0
167.03349	0.5
167.07040	0.2
169.06477	0.6
169.10091	0.2
171.08035	0.2
171.11674	0.1
173.09581	0.4
173.13245	0.1
174.99159	0.3
175.03839	0.1
175.07605	0.3
176.08354	0.2
176.98973	0.2
177.05489	2.1
177.09081	0.6
178.09769	0.3
179.03395	0.2
179.07019	0.4
181.04950	4.8
182.05345	0.2
183.11763	0.1
186.06779	0.1
187.07545	0.6
188.03403	0.1
188.08192	0.3
189.05417	0.3
189.09087	0.2
191.06958	0.4
191.10745	0.7
195.06468	0.1
195.11473	0.1
197.05962	0.2
197.13214	0.1
198.06815	0.1
199.07436	0.1
199.11258	0.1
201.09093	0.2
204.07813	2.8
205.08589	3.1
205.12233	0.2
206.04420	0.1
206.08855	0.2
207.11737	0.1
209.05945	0.5
209.09500	0.1
211.07483	0.3
212.04613	0.2
215.06938	0.2
219.10144	5.6
220.10434	0.3
223.07539	0.3
225.12756	0.2
227.06998	0.7
229.08560	0.3
239.06950	0.2
240.07857	0.2
241.08600	0.3
243.06493	0.3
243.13773	0.1
251.07196	0.1
251.10617	0.2
253.08522	0.3
255.06793	0.2
255.10014	0.1
256.85532	0.1
257.08087	2.6
258.08685	0.3
259.09641	0.1
265.12228	1.7
265.19394	0.2
268.07208	0.1
269.08173	0.2
269.11700	0.2
279.10065	0.2
283.09601	0.2
283.20529	0.2
284.06628	0.3
285.07571	1.8
285.10983	0.2
286.08334	48.5
287.08682	3.0
297.07523	0.4
297.14874	0.4
311.09326	0.2
311.12753	0.5
311.20163	0.3
314.07816	58.6
315.08173	4.0
315.11908	0.1
329.10172	100.0
330.10513	7.8
330.13864	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1019
Annotation	8-Hydroxy-5,6,7-trimethoxyflavone
Peak:m/z	Relative Intensity
52.10838	0.2
55.05500	0.3
66.63741	0.3
67.05488	0.3
69.57138	1.5
75.26390	0.2
79.01868	0.3
79.05479	0.5
80.23212	0.4
81.07041	0.6
83.08599	0.3
83.28988	0.2
91.05453	0.9
97.10135	0.4
98.98446	1.6
103.05473	2.4
105.07034	0.4
107.04987	0.3
108.02129	1.1
108.02705	0.2
109.10129	1.3
115.05456	0.4
116.15628	0.2
117.07042	0.4
119.04931	0.4
121.06478	0.3
122.03625	0.5
123.04428	1.0
123.11666	0.7
125.09610	0.4
131.04936	1.2
131.08551	0.5
132.05693	0.9
133.06479	1.1
135.04393	1.1
136.01521	0.6
137.05977	3.4
138.06335	0.4
141.85355	0.3
145.06454	1.4
147.04349	0.7
148.05194	0.7
149.05981	0.6
150.03136	0.3
151.03920	0.5
151.07529	1.1
153.05466	0.4
154.02536	0.3
159.08047	1.5
163.07539	3.0
164.08278	0.8
167.03456	1.2
169.06514	0.3
177.09070	0.7
179.07079	0.5
187.07527	0.9
187.13330	0.4
189.11253	0.3
192.04079	0.4
197.06075	0.3
205.08546	2.2
218.07378	0.2
239.06935	0.5
240.07878	0.3
242.05705	0.7
243.06508	1.1
253.05072	0.3
256.07306	4.1
257.07779	0.5
267.06543	1.1
268.07300	5.9
269.08002	0.7
270.05295	1.6
271.05972	1.9
279.10129	0.6
283.06033	1.0
284.06735	1.3
285.07550	14.3
286.08081	1.9
296.06812	3.4
297.07544	0.7
298.04602	1.1
299.05469	3.6
300.06241	4.0
311.05466	2.7
311.12735	1.1
313.07053	55.5
314.07736	17.6
315.08066	0.8
329.10184	100.0
330.10516	8.4
330.14481	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1018
Annotation	8-Hydroxy-5,6,7-trimethoxyflavone
Peak:m/z	Relative Intensity
53.03924	0.3
55.01849	0.4
55.05476	0.4
57.03437	1.3
57.07061	0.1
60.04460	0.1
65.03915	0.4
67.05479	0.6
68.99774	0.3
69.03392	0.6
69.07034	0.5
70.43430	0.3
71.04964	0.2
73.02872	0.1
77.03892	0.2
78.75129	0.1
79.05476	1.0
81.03423	0.8
81.07044	0.9
83.01331	0.2
83.04953	0.4
83.08597	0.2
85.02870	0.4
85.06501	0.2
91.05486	1.3
92.04943	0.2
93.03361	0.1
93.07042	1.1
95.04938	0.6
95.08576	0.6
97.02872	0.4
97.06520	0.2
98.98462	12.4
99.04383	0.2
103.05463	1.4
105.03327	0.2
105.07006	0.7
107.04953	0.8
107.08570	0.5
109.02848	0.5
109.06487	0.5
109.10119	0.3
111.04443	1.3
111.08086	0.1
115.05438	0.4
116.06233	0.2
116.99508	0.3
117.06965	0.5
118.04162	0.1
119.04906	0.3
119.08534	0.4
121.06457	0.6
121.10117	1.0
122.03632	0.3
122.25707	0.1
123.04423	0.9
123.08067	0.3
125.05977	0.4
125.09717	0.1
127.03940	0.3
129.05432	0.2
129.07002	0.2
131.04915	1.2
131.08566	0.6
133.06474	2.7
133.10089	0.2
135.04411	4.1
135.08029	0.2
137.02347	3.4
137.03374	0.3
137.05968	3.3
138.06334	0.1
139.03935	0.3
139.11157	0.5
141.06979	0.2
142.08618	0.4
143.04868	0.2
143.08583	0.3
144.05688	0.2
145.06465	0.8
145.10071	0.4
146.07210	0.4
147.04353	0.9
147.07979	0.2
148.05220	0.3
149.05986	1.4
149.09602	0.4
150.06786	0.1
151.03883	2.1
151.05003	0.3
151.07520	1.0
152.07886	0.2
153.05472	0.4
154.02625	0.2
155.03366	0.5
157.06477	0.2
157.10130	0.3
157.12253	0.2
159.04413	0.3
159.08058	0.8
161.05954	0.9
162.06679	0.4
163.07542	1.7
164.04669	0.1
164.08266	0.4
165.05452	0.5
165.06857	0.2
165.09114	0.2
166.07629	0.1
167.03363	0.8
167.07004	0.3
167.10678	0.4
169.01390	0.2
169.06445	0.2
169.10133	0.2
170.07057	0.2
171.07944	0.2
171.11650	0.2
173.09624	0.3
173.13286	0.2
174.99225	0.7
175.07518	0.8
176.98894	0.3
177.05461	0.8
177.09074	1.2
178.09834	0.5
179.03468	0.2
179.07025	0.9
181.04980	2.1
181.06406	0.3
182.02094	0.8
183.04381	0.2
183.07968	0.2
185.05902	0.1
185.09674	0.3
187.07512	0.6
188.03413	1.2
189.05455	0.1
189.09068	0.3
191.07024	0.3
191.10654	0.2
194.07141	0.3
195.08057	0.3
195.11774	0.2
197.06013	0.3
197.09662	0.2
200.03218	0.4
205.08566	1.4
205.12306	0.3
206.04459	0.6
209.05966	0.2
209.09557	0.3
210.06412	0.1
211.07353	0.3
212.08311	0.3
213.09073	0.2
219.06355	0.2
223.07516	0.3
223.11194	0.2
225.09039	0.3
226.06195	0.3
227.06987	0.5
227.10593	0.2
229.08548	0.3
233.09708	0.2
237.09084	0.3
239.06976	0.3
240.07809	0.3
241.08591	0.5
241.12070	0.2
242.05656	0.4
243.06508	0.4
245.04410	0.3
245.08170	0.2
250.09927	0.2
251.07013	0.2
251.10558	0.3
253.08598	0.4
255.06557	0.2
255.10147	0.4
255.13763	0.2
256.07294	1.7
257.08057	1.5
257.10944	0.2
258.08633	0.2
259.09482	0.2
265.08484	0.3
265.12259	0.3
265.95105	0.1
267.06522	0.3
267.10126	0.5
268.07272	0.6
269.08057	6.1
269.11145	0.4
270.05249	0.7
270.08591	0.5
271.05972	0.6
271.09030	0.1
273.11179	0.3
279.10245	0.4
280.11050	0.3
283.06183	0.3
283.09589	0.6
283.12964	0.3
284.06702	0.4
285.07556	6.4
285.10861	0.5
286.08322	19.6
287.08698	1.4
296.10178	0.3
297.07568	0.4
297.11197	0.4
298.04538	0.4
299.05566	0.9
299.12872	0.2
300.06284	1.5
311.05780	0.7
311.09177	0.4
311.12747	1.5
311.16348	0.3
311.20129	0.2
313.07031	21.8
314.07794	34.1
315.08194	2.5
329.10162	100.0
329.13452	3.6
330.10516	7.9
330.13821	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1019
Annotation	8-Hydroxy-5,6,7-trimethoxyflavone
Peak:m/z	Relative Intensity
50.23913	0.2
57.07070	0.7
67.05500	0.5
69.19452	1.5
69.61967	0.2
70.06586	0.9
70.45538	0.2
71.08613	0.4
77.58620	0.2
78.04698	0.2
79.05488	0.3
81.07058	0.4
88.07627	1.2
91.05476	0.5
94.04173	0.2
95.08640	0.2
98.98465	5.6
102.09152	0.4
103.05451	0.6
105.03391	0.2
105.07005	0.3
106.08672	0.5
107.04958	0.5
107.08602	0.2
108.05748	0.4
109.06522	0.3
109.10115	0.4
117.07021	0.2
119.08600	0.2
121.06510	0.5
122.03654	0.2
123.04449	0.4
131.04895	0.3
135.04393	2.7
137.02332	0.2
137.05986	1.0
145.06436	0.2
149.05956	0.3
151.03865	0.6
151.07578	0.3
159.08075	0.3
161.05962	0.4
162.63884	0.2
163.07545	0.5
165.01863	0.4
165.05487	0.4
167.07036	1.3
174.99260	0.4
180.04131	0.3
181.04955	3.2
181.06429	0.4
183.02841	0.2
184.87144	0.2
187.07639	0.2
191.06975	0.2
193.04976	0.8
205.08621	0.5
211.07512	0.3
212.08266	0.3
215.07047	0.4
225.05469	0.2
225.46680	0.2
227.07018	0.5
229.08569	0.5
235.59225	0.2
240.07838	0.6
241.08742	0.4
243.06500	4.7
244.06935	0.4
253.04982	0.2
255.06487	0.3
257.08093	2.8
258.08792	3.0
268.07224	0.8
269.07986	0.6
270.08823	0.3
271.05997	4.2
272.06445	0.3
273.11298	0.3
283.06094	0.4
283.09531	0.3
285.07565	2.9
286.08344	5.7
287.08755	0.4
288.06271	0.3
296.06531	0.3
297.07816	0.9
298.04556	0.4
299.05533	4.0
300.05899	0.3
300.09891	0.5
311.09134	0.4
311.12592	0.4
313.07031	5.6
314.07803	14.6
315.08008	1.0
327.08344	0.2
328.35535	0.2
329.10162	100.0
330.10501	7.6
330.14496	0.3
330.33646	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	329.138
Annotation	Piperphilippinin V
Peak:m/z	Relative Intensity
65.03936	3.4
70.62233	5.0
79.05489	5.9
81.07076	2.4
91.05482	20.2
93.03387	3.0
93.46925	2.0
94.04170	3.4
95.04959	6.6
98.98467	22.3
103.05464	75.4
105.07063	5.2
107.04935	11.3
107.92242	2.0
109.06523	5.5
111.04429	3.7
115.05448	9.0
116.06201	3.0
117.07008	12.0
119.04166	1.9
119.04958	7.9
121.06468	4.9
122.03654	9.2
123.04427	22.5
123.76511	2.0
125.05967	3.5
131.04927	42.8
131.08566	13.1
133.06473	4.8
135.08057	7.5
136.05180	3.1
137.05977	100.0
138.06357	2.9
141.06987	5.3
143.04930	4.5
144.05748	4.7
145.06490	37.6
147.04405	16.7
148.05190	12.4
149.05975	17.8
151.07536	28.8
153.05495	9.0
159.08057	39.5
161.05966	8.9
162.06702	4.8
163.07544	71.5
164.08369	20.3
165.05539	2.4
165.06976	2.4
165.09061	5.6
167.07047	11.6
169.06439	2.4
175.07539	3.7
176.98898	2.5
177.05499	4.4
177.09132	15.5
179.03375	3.3
179.07120	11.9
179.08507	3.2
183.73434	1.8
187.07542	22.6
191.07024	7.8
202.28986	2.0
205.06645	3.7
205.08582	68.6
205.10384	4.4
205.94754	2.1
206.08849	2.8
207.07962	2.2
211.07643	2.1
223.11200	3.9
225.09038	4.5
233.09615	11.1
234.71991	2.2
235.07623	3.1
236.08290	2.8
240.07819	2.4
251.10591	4.3
253.08672	7.8
255.06558	3.3
261.09131	7.9
264.07803	4.0
267.06320	2.1
269.11710	3.8
270.08850	2.4
271.09634	4.9
274.45068	2.3
279.10120	12.5
281.08130	7.2
282.08810	4.6
283.09879	2.2
285.11246	5.9
286.08203	4.1
293.11804	3.5
296.10318	7.2
311.09116	20.5
311.12793	24.2
329.10040	11.2
329.13849	39.4
330.14035	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	329.138
Annotation	Piperphilippinin V
Peak:m/z	Relative Intensity
53.03922	1.8
55.01860	1.7
65.03940	1.6
67.05499	1.4
69.50893	7.1
79.05477	2.7
81.07040	3.0
89.21031	1.1
91.05477	24.1
93.03406	1.5
93.07014	2.6
94.04176	3.0
95.04957	3.0
98.98467	41.8
103.05467	67.3
104.06287	1.8
105.07004	3.7
107.04942	8.1
107.08595	1.6
109.06493	6.2
109.10164	1.1
111.04431	2.9
115.05462	9.1
115.37824	1.1
116.06219	1.7
116.99497	2.2
117.07027	11.9
119.04947	10.0
120.35334	1.1
121.06477	2.6
122.03609	7.6
123.04425	27.7
125.05983	3.1
129.06985	1.9
131.03984	2.4
131.04929	45.7
131.08556	13.4
133.06487	3.4
135.04408	3.3
135.08025	9.2
136.05147	4.3
137.05972	100.0
138.06261	3.9
141.06958	5.3
143.04893	4.6
144.05672	4.3
145.06480	42.1
147.04411	14.5
148.05180	13.1
149.05991	21.8
151.07542	36.9
153.05470	10.8
159.08055	40.4
160.08394	2.4
161.05984	13.2
162.06682	2.5
163.07535	77.9
164.08334	28.9
165.05508	6.5
165.06747	2.0
165.09077	4.3
167.07068	9.3
169.06412	2.1
174.99164	3.5
175.07480	3.8
177.05473	3.2
177.09117	16.9
179.07085	11.4
179.08502	2.2
181.06448	1.3
187.07529	23.2
188.07986	2.2
191.07072	12.1
191.08711	1.9
201.09196	1.2
205.08589	71.5
205.34479	1.2
206.08919	2.6
207.08171	2.2
209.09579	3.3
211.07507	3.1
213.05475	1.3
215.08452	1.1
218.07239	3.1
219.07997	1.5
221.05931	1.8
223.07458	2.8
225.09050	4.6
229.52736	1.3
233.09647	8.4
235.07373	1.5
236.08269	3.8
237.09006	2.2
239.07027	4.6
240.07808	1.9
245.32333	1.5
250.09927	1.8
251.06914	2.7
251.10562	5.9
253.08665	7.0
254.09264	3.8
255.06470	1.9
256.07227	1.5
261.09067	9.1
263.07098	2.3
264.07672	5.6
265.08630	1.4
265.12161	2.4
267.06512	2.1
267.10172	2.0
269.11694	3.3
270.08783	3.4
271.09567	5.5
279.10135	18.6
280.10519	1.5
281.07999	4.5
282.08722	5.2
285.11307	6.6
286.08304	1.6
292.51743	1.3
293.11572	4.3
296.10370	5.2
297.11017	1.6
311.09039	5.8
311.12668	27.8
314.07657	2.6
329.09921	10.7
329.13721	48.2
330.13940	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1381
Annotation	Piperphilippinin V
Peak:m/z	Relative Intensity
55.05506	2.4
65.03964	3.1
67.05509	7.7
69.03458	2.3
69.18535	5.6
69.18951	10.2
76.79876	1.7
79.05503	5.6
81.07060	6.2
91.05489	20.8
92.59766	1.7
93.03416	2.3
94.04181	3.7
95.04981	4.9
98.23358	4.4
98.98464	7.1
103.05466	76.8
105.07034	4.2
107.04965	8.7
107.08591	2.9
109.06523	3.9
109.10176	6.1
110.03663	2.4
115.04752	2.0
115.05428	10.3
117.07009	11.1
119.04928	11.0
121.06514	8.9
122.03667	7.7
123.04440	27.7
125.06037	2.2
131.04921	34.1
131.08565	11.8
131.75925	2.3
133.06516	2.5
135.04428	2.2
135.08041	8.2
136.05225	4.1
137.05978	100.0
141.07027	5.1
143.04901	5.4
144.05731	4.7
145.06497	43.2
147.04388	13.5
148.05171	14.9
149.05969	25.0
151.07526	32.8
153.05490	8.1
159.08060	40.5
161.05948	10.1
162.06789	4.2
163.07541	71.7
163.08884	4.1
164.08348	27.2
165.05511	4.6
165.07043	1.8
165.09196	2.3
167.07048	9.4
173.11703	2.6
175.07507	3.3
177.05501	4.3
177.09166	15.2
177.88428	2.4
179.07060	10.4
181.04968	16.6
183.08078	2.6
187.07568	20.0
189.11214	2.7
190.07820	2.8
191.07050	8.3
205.06682	4.2
205.08585	60.5
205.10365	3.8
206.09018	3.6
209.09625	2.4
211.07498	3.7
218.07268	3.4
225.09079	4.2
233.09578	9.5
235.07440	2.7
236.08307	3.9
239.06920	5.1
251.06932	3.4
251.10638	5.6
253.08606	7.3
254.09419	2.4
255.06537	2.8
256.07446	2.2
257.08221	2.8
261.09140	7.4
264.07736	4.8
265.12384	2.8
267.06723	2.4
269.11865	3.5
270.09161	2.9
271.09726	4.4
279.10110	14.4
282.08780	3.9
285.11227	6.5
286.08267	3.5
293.11636	2.2
296.10455	5.0
311.12827	21.5
314.07846	6.7
329.10156	49.8
329.13864	36.1
330.10501	3.5
330.13986	2.0
336.76614	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	329.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02398	1.6
55.01834	1.2
57.03433	1.6
59.01884	1.3
65.03922	3.0
69.18767	10.7
77.03898	1.3
78.91452	1.2
79.05480	4.3
79.23457	1.0
81.07049	4.1
89.03932	1.2
91.05473	20.2
93.03403	3.5
94.04179	3.7
95.04951	3.9
95.08592	1.5
98.22635	2.6
98.98466	10.2
103.05461	77.8
104.05740	2.3
105.03304	1.5
105.07018	4.6
107.04940	8.4
108.05744	1.5
109.06504	4.5
111.04431	2.3
115.05450	8.9
117.07002	10.9
119.04932	8.9
121.06478	3.9
122.03637	7.0
123.04427	22.3
125.06000	4.8
129.06995	2.1
131.04918	36.1
131.08568	11.0
132.05589	1.4
133.06474	3.1
135.08040	8.9
135.29106	1.1
136.05164	4.2
137.05969	100.0
138.06306	4.0
141.06996	5.0
143.04944	6.6
144.05695	4.3
145.06487	42.9
147.04399	15.7
148.05186	12.7
149.05991	22.3
150.06253	1.5
151.07538	30.8
153.05449	10.1
159.08051	42.4
161.05974	12.2
162.06706	3.8
163.07529	75.0
164.08325	28.3
165.05437	4.8
165.06810	1.4
165.09090	4.2
167.07036	8.7
169.06430	2.9
175.07562	2.9
177.05458	4.4
177.09116	14.6
178.07719	1.2
179.07013	13.9
179.08539	3.3
187.07535	24.6
188.08035	2.4
190.07776	3.2
191.07002	8.9
205.08585	67.7
206.08945	3.4
207.08101	1.6
209.09680	1.9
210.06694	1.2
211.07492	2.9
213.05502	1.3
218.07236	3.6
221.05949	3.5
225.09030	4.7
233.09622	8.9
235.07463	3.6
236.08156	2.1
237.09215	2.0
238.11269	1.2
239.07030	4.4
239.10667	2.1
250.06198	2.3
251.07013	2.1
251.10681	6.9
252.07750	1.4
253.08537	7.4
254.09384	2.8
255.06502	2.2
261.09030	9.1
262.95157	1.3
263.07028	3.0
264.07727	4.6
265.12201	1.5
267.06348	1.3
267.10123	1.9
269.11734	4.3
270.08871	2.5
271.09592	4.0
272.10043	1.2
278.09360	1.9
279.10141	17.0
280.10553	1.8
281.08017	3.3
282.08765	4.4
283.09470	1.8
283.13431	1.8
285.11310	5.7
293.11691	4.0
296.10352	4.7
311.12747	22.9
312.13092	1.7
314.07935	1.3
329.10104	4.3
329.13779	39.6
330.14151	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	329.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.7
55.01865	1.6
57.03433	1.7
58.62160	1.3
65.03934	4.0
69.21895	2.8
69.22298	7.5
79.05485	6.7
81.03433	1.3
81.07045	2.5
88.20682	1.5
91.05476	24.0
91.78627	1.3
93.03410	3.4
93.07008	2.7
94.04161	3.3
95.04975	4.5
98.98454	10.2
103.05463	67.0
104.05723	1.8
105.03405	1.5
105.04493	1.2
105.07018	5.5
107.04934	14.3
109.02890	1.4
109.06474	3.2
110.03594	1.5
110.59481	1.5
111.04432	2.7
115.05445	10.3
116.06255	2.3
116.96443	1.5
117.07026	11.7
119.04913	9.4
121.06479	4.9
121.10174	2.4
122.03649	8.6
123.04433	25.3
123.76180	1.3
124.04891	1.3
125.05975	5.2
126.32539	1.3
129.07013	2.2
131.04944	39.4
131.08545	11.2
132.05663	2.2
133.06453	4.0
133.26216	1.5
134.37300	1.4
135.04407	2.3
135.08026	7.4
136.05177	3.7
137.05972	100.0
138.06303	3.2
141.06964	4.0
143.04901	4.2
144.05690	5.0
145.06482	36.4
146.06906	2.1
147.04402	13.5
148.05193	13.4
149.05984	23.4
149.09631	1.8
151.03984	2.8
151.07539	27.4
153.05469	9.5
153.06607	1.6
159.08049	34.2
160.05162	1.5
161.05971	8.9
162.06683	2.5
163.07536	70.2
164.08331	34.9
165.05478	5.8
165.09093	3.2
167.07043	9.6
168.62578	1.5
173.05949	1.5
175.07547	4.9
177.05428	4.0
177.09102	11.1
179.07028	12.3
179.08534	3.1
187.07542	22.5
191.07008	8.9
197.05945	1.5
205.08577	68.6
205.10127	3.1
206.08946	3.2
207.08072	2.7
209.09616	3.6
210.06747	3.0
211.07626	2.7
213.05583	1.4
218.07256	3.9
221.05963	1.9
222.06641	1.5
223.07567	1.8
225.09064	3.7
233.09555	8.1
235.07480	2.8
236.08356	4.0
237.09062	2.7
239.07019	4.8
241.12224	1.7
250.06261	2.3
251.07222	2.7
251.10730	6.5
253.08595	6.2
254.09300	4.4
255.06557	2.4
261.09204	8.6
263.06982	2.2
264.07748	4.0
267.10068	1.5
269.11771	3.3
270.08881	2.4
271.09744	4.7
279.10126	14.7
280.10822	1.9
281.08020	3.0
282.08868	5.0
283.09650	2.8
283.13153	2.3
285.11154	7.4
293.11694	3.3
296.10400	5.8
300.09985	2.6
311.12790	21.0
312.13040	1.5
329.10214	2.0
329.13766	36.3
330.13968	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.1
55.01856	2.3
55.05498	1.3
56.39180	1.1
57.03426	1.5
60.97060	1.6
65.03934	3.5
70.66711	1.2
70.67039	2.5
71.47298	1.0
79.05483	5.0
81.03416	1.4
81.07048	2.5
91.04942	1.9
91.05480	25.2
93.03403	2.3
93.07032	2.9
94.04173	3.0
95.04955	4.6
98.97930	1.3
98.98480	15.1
99.79994	1.1
103.05467	72.8
104.05766	2.1
105.03383	1.3
105.07018	6.3
107.04948	11.3
107.08607	2.0
109.06509	5.9
111.04430	4.0
115.05450	9.5
116.06255	2.4
117.07029	11.6
119.04953	11.0
121.06509	5.3
121.10139	2.2
122.03654	7.4
123.04427	31.2
123.08010	1.0
125.05978	6.1
129.07013	2.1
131.04927	43.6
131.08566	12.7
133.06459	4.7
135.04407	2.1
135.08041	8.9
136.05161	4.6
137.05978	100.0
138.06284	3.9
141.06998	6.7
143.04930	4.7
144.05673	4.5
145.06477	51.8
145.07413	0.8
146.06807	2.3
147.04405	16.7
148.05193	13.4
149.05968	22.2
149.09558	1.4
151.03835	2.4
151.07544	35.9
153.05450	10.0
157.06326	1.3
159.08061	43.2
160.08424	1.7
161.05977	12.9
162.06747	2.7
163.07535	79.7
164.08337	24.9
165.05533	7.3
165.06813	1.6
165.09117	5.3
167.07045	8.6
169.06433	2.6
169.07719	1.3
175.07532	3.9
177.05479	4.2
177.06903	1.3
177.07628	1.6
177.09076	14.1
179.07054	13.4
179.08540	2.6
187.07536	26.7
188.08092	1.6
190.07785	2.1
191.07053	11.6
195.08069	1.8
203.08597	1.3
205.08594	73.0
205.10147	2.7
206.08882	5.1
206.36670	1.1
207.08014	1.2
208.08823	1.6
209.09489	2.9
210.06721	1.3
211.07498	3.5
218.07199	4.5
221.05913	2.2
223.07619	1.9
224.08287	1.2
225.09079	4.2
226.09697	1.4
227.07031	1.7
233.09598	12.3
235.07521	5.2
236.08269	3.3
237.09036	3.0
239.07033	5.0
239.10573	2.1
240.07771	1.5
241.12209	1.5
247.07695	1.5
250.09772	1.5
251.07074	3.7
251.10683	8.5
253.08562	8.6
254.09259	2.7
256.07153	1.3
261.09134	9.5
263.06821	1.4
264.07788	5.5
265.08527	2.5
265.12201	4.2
267.06522	2.0
267.10022	2.0
268.10892	1.6
269.11719	5.7
270.08719	3.1
271.09543	6.5
279.10138	18.1
280.10767	1.9
281.08160	3.4
282.08865	4.9
283.09540	2.5
283.13211	2.6
285.11209	9.2
293.11609	4.6
296.10373	6.2
297.07678	1.3
297.10806	2.4
301.10825	1.4
311.09302	2.0
311.12744	27.1
312.12976	1.7
315.08591	2.6
329.06644	2.2
329.10324	3.0
329.13779	51.5
330.14206	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	329.1382
Annotation	Piperphilippinin V
Peak:m/z	Relative Intensity
53.03944	2.1
55.01862	2.4
57.03429	2.7
58.84306	1.3
65.03949	2.4
71.34846	2.5
71.35168	1.6
79.05497	5.4
81.07048	2.7
91.05485	24.2
93.03424	2.4
93.07035	2.7
94.04207	3.8
95.04979	4.0
98.98466	10.2
103.05470	63.6
104.06315	2.2
105.07036	5.4
107.04952	13.4
109.06511	5.0
111.04433	2.0
115.05453	14.0
116.06281	1.5
117.07007	12.8
119.04975	10.3
121.06535	6.1
121.10171	2.2
122.03640	9.5
123.04435	25.8
125.06004	4.8
129.07059	3.6
131.04924	38.4
131.08571	12.9
132.05705	2.6
133.06493	5.6
135.08051	7.7
136.05199	3.6
137.05978	100.0
138.06314	3.7
141.07031	6.0
143.04933	6.5
144.05696	3.7
145.06490	37.3
146.07159	2.3
147.04405	14.2
147.08069	1.9
148.05171	10.9
149.05980	24.6
151.03883	3.1
151.07541	29.3
153.05490	8.2
159.08063	37.1
161.05981	15.7
162.06844	3.0
163.07544	74.6
164.08336	44.6
165.05513	4.6
165.09015	2.4
167.07054	7.4
169.06512	3.6
175.07619	2.6
177.05534	4.1
177.09106	13.1
179.07057	12.9
179.08487	2.8
187.07541	23.2
188.08202	1.8
189.09085	2.1
191.07036	10.7
205.08594	52.8
207.08003	2.8
209.09647	2.7
210.06705	3.8
211.07535	4.0
218.07304	2.9
221.05997	1.6
223.07587	3.5
225.09117	3.6
227.07057	2.3
233.07866	4.3
233.09981	9.4
235.07593	3.8
236.08322	1.7
237.09135	2.5
239.06979	4.9
239.10678	3.3
240.07687	2.3
247.07700	2.0
251.07071	1.7
251.10728	7.8
253.08603	8.1
254.09241	3.9
255.06705	1.8
261.09253	7.1
264.07745	2.7
265.08612	2.4
265.12289	5.8
267.06525	2.5
268.07321	1.6
269.11783	4.2
270.08975	3.6
271.09686	5.0
279.10202	15.9
280.10580	1.7
281.07977	2.4
282.08954	4.3
283.09717	2.6
283.13239	2.1
285.11142	9.9
286.08524	2.8
286.11685	1.6
293.11563	4.1
296.10394	5.5
311.09125	5.6
311.12811	23.3
314.07901	3.9
329.10196	14.5
329.13843	35.5
330.10538	1.7
330.14243	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	329.1383
Annotation	Piperphilippinin V
Peak:m/z	Relative Intensity
53.03952	0.8
55.01867	1.2
57.03432	0.6
57.64856	0.4
65.03927	0.9
66.04739	0.7
69.03420	1.5
69.50407	2.6
79.05488	3.2
81.03413	0.7
81.07043	1.2
85.02879	0.5
88.35167	0.5
89.97876	0.4
91.05476	5.1
91.85982	0.6
93.07034	2.7
94.04171	2.7
95.04967	1.5
98.98468	9.6
103.05452	2.2
105.07035	1.5
107.04944	2.4
107.08585	2.3
109.06528	1.1
115.05465	2.4
117.07019	4.2
119.04927	1.4
121.06489	1.4
121.10139	1.7
122.03639	7.1
123.04431	3.0
128.06276	0.7
129.07011	1.4
131.04945	2.3
131.08553	2.0
133.06461	0.8
135.04398	1.1
135.08049	4.4
137.05974	100.0
138.06319	2.2
141.06995	0.7
141.28040	0.5
144.05667	0.7
145.06487	2.5
146.07260	0.6
147.04413	4.9
147.08049	0.6
149.05986	3.4
150.06741	0.7
151.03928	1.1
151.07533	1.7
153.05438	1.1
157.06477	1.6
159.08025	2.4
161.05983	2.0
162.06702	0.7
163.07536	27.1
164.08240	2.0
165.05444	0.9
165.06908	0.5
165.09109	0.5
167.07057	0.9
167.10684	0.6
173.05969	0.8
174.99263	0.7
175.07545	4.2
177.05463	1.4
177.09123	2.8
178.10013	0.6
179.07031	1.3
187.07523	2.3
189.09189	0.5
191.07013	0.5
203.08521	0.6
203.10501	0.5
205.08537	3.2
211.07483	0.7
218.07289	0.5
221.09596	0.7
223.07521	0.7
233.09547	0.7
237.05656	0.5
239.06914	0.6
242.09534	0.4
251.10719	0.7
253.12178	0.6
261.09155	1.0
268.07300	0.7
269.11749	0.7
270.08838	1.1
271.09341	0.5
279.10193	1.8
283.09619	1.6
283.12704	0.5
296.10214	0.6
297.11346	0.5
299.12662	2.4
301.10455	0.6
311.09473	0.8
311.12708	3.4
329.10068	1.6
329.13806	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	329.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.0
55.01864	1.4
55.05507	1.1
57.03443	3.0
65.03932	0.8
67.05507	1.3
69.03413	1.9
69.07059	0.9
70.09787	0.5
71.04984	0.8
78.05194	0.4
79.05494	3.5
81.03398	1.2
81.07061	2.9
85.02953	0.6
85.06535	1.1
90.98680	0.5
91.05479	6.9
92.49566	0.5
93.07034	4.3
94.04169	2.8
95.04961	1.6
95.08601	1.5
97.02850	0.5
97.06483	1.1
98.98461	18.0
103.05461	5.3
105.07030	3.3
107.04965	3.1
107.08582	2.5
109.02896	1.2
109.06500	2.1
109.10181	0.6
115.05441	2.8
117.03264	0.5
117.07022	4.4
119.04918	1.3
119.08557	1.3
121.06493	3.4
121.10146	3.6
122.03642	7.9
123.04436	4.9
123.11767	0.5
127.03831	0.5
128.06216	0.6
129.06961	2.2
131.04918	4.3
131.08551	2.0
133.06487	1.2
133.10043	0.5
135.04411	2.0
135.08002	2.8
137.05972	100.0
138.06319	3.0
139.11098	0.6
141.01839	1.2
141.06992	1.3
143.08620	0.9
144.05646	0.6
145.06474	3.2
145.10144	0.7
146.07260	0.8
147.04411	4.4
147.08034	1.6
148.05132	0.6
149.05971	3.6
149.09639	1.3
151.03918	1.0
151.07530	2.3
153.05460	1.5
155.08574	0.7
157.06538	1.6
159.08063	2.1
161.05965	3.2
162.06657	0.7
163.03964	0.7
163.07530	19.6
164.04625	0.6
164.08385	2.7
165.05524	1.1
165.06952	0.7
167.07043	1.0
167.10707	0.7
169.06482	2.1
173.05946	1.2
174.99228	1.9
175.07555	4.3
176.99008	0.8
177.05423	1.4
177.09088	3.2
178.09885	0.9
179.07076	2.8
181.06497	0.8
187.07521	2.6
189.09074	1.4
191.06944	1.2
197.05963	3.1
198.06544	0.7
205.08522	3.7
205.10083	0.4
207.83772	0.5
209.05920	1.0
210.06825	0.8
211.07556	1.0
213.09073	0.5
221.05977	0.6
221.09480	0.5
223.11237	0.8
225.05418	1.3
225.09189	0.6
227.07082	1.2
233.09494	0.9
237.05481	0.6
238.06294	0.7
239.06969	0.5
240.07831	1.0
241.08630	1.1
243.06485	0.9
251.10767	0.7
253.08775	0.6
255.06474	0.7
255.10179	0.9
258.08865	8.2
259.09290	0.7
261.09109	1.1
265.08655	0.7
265.12225	1.1
269.00833	1.3
269.08212	1.6
270.08798	0.9
279.10172	1.7
293.11600	0.5
297.00208	1.3
297.11133	1.1
299.12610	3.6
311.09262	1.0
311.12759	3.9
314.00366	0.8
329.02869	3.3
329.06586	2.0
329.10135	1.8
329.13773	6.1
329.17435	1.7
329.20880	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1383
Annotation	Casuarinondiol
Peak:m/z	Relative Intensity
50.96404	0.5
55.01864	1.0
55.05513	0.6
58.87901	0.5
61.83106	0.5
65.03979	0.6
67.05497	2.2
69.44032	3.5
71.05003	0.6
72.08162	2.7
79.02906	0.5
79.05485	1.0
79.19024	0.5
81.07059	1.2
91.05481	2.1
93.07033	1.4
95.08636	0.8
98.22537	0.6
98.98465	100.0
100.98900	1.3
105.07039	1.5
107.04936	0.7
107.08574	0.9
109.10133	0.6
116.99498	3.0
117.06956	0.7
119.08565	1.6
121.10122	0.6
122.03607	0.6
131.08554	1.0
135.08072	1.1
137.05952	4.3
139.48624	0.5
141.05501	0.6
141.06985	0.7
144.05672	0.7
145.06483	0.7
145.10143	0.6
151.03906	10.9
151.05011	1.2
154.45235	0.6
159.08078	0.7
159.11726	0.8
163.07568	1.0
165.07024	2.0
165.09093	1.3
167.08530	0.5
174.99202	6.7
176.98924	3.5
177.09058	0.7
180.09338	0.7
182.07236	1.0
191.08585	1.6
192.09319	0.6
193.06500	0.9
197.09622	0.7
198.06561	0.6
207.08031	0.9
208.08853	1.6
210.06714	1.1
213.08829	0.6
219.08037	0.8
220.08846	0.9
223.07558	1.1
223.11182	2.7
225.05519	1.4
225.09129	2.4
227.07013	3.6
235.07552	1.4
236.08310	1.7
237.09070	2.0
239.07095	1.4
240.07797	4.7
241.08450	1.2
242.09145	0.9
251.10707	2.9
252.99774	0.8
253.04935	1.3
253.08594	3.2
254.09155	0.8
255.06581	2.2
255.10118	0.9
268.07324	12.0
268.10587	1.1
269.07932	1.7
270.08810	6.8
279.10004	0.8
280.10773	0.6
281.08081	0.7
283.09665	22.2
283.13269	14.1
284.10110	1.9
284.13382	0.6
285.10776	2.6
286.08508	0.6
296.10464	1.7
297.07727	0.6
301.14392	2.6
311.12762	11.6
313.07077	0.9
329.10123	5.5
329.13831	13.1
329.21194	1.3
329.24796	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.9
55.01866	2.8
55.05497	1.6
57.03420	3.0
65.03942	1.4
67.05499	2.8
69.07056	1.4
70.47967	1.9
72.27730	0.6
74.12403	0.6
79.05488	2.9
81.07050	2.4
87.04472	0.7
91.05466	16.6
93.07035	2.7
95.04984	2.6
95.08595	2.3
97.10196	0.8
98.98460	100.0
103.05461	5.5
105.07018	1.6
107.04943	2.0
107.08598	1.4
109.02876	3.0
109.06506	1.2
109.10183	1.1
111.04427	1.2
111.24268	0.6
113.09636	0.9
116.06181	1.1
116.99477	1.7
117.07062	1.0
119.04937	13.6
119.08528	1.5
120.05756	3.9
121.06482	3.1
121.10175	1.2
123.04431	2.0
124.05203	14.6
125.05969	1.8
125.09611	1.3
129.07021	0.8
131.04970	3.3
131.08571	4.0
133.06497	1.1
135.04453	1.3
135.07980	0.9
135.11644	0.8
136.05177	1.7
137.05983	6.7
141.07008	1.1
145.06467	1.1
145.10101	0.8
147.04404	13.7
148.05194	3.8
149.05968	12.7
149.09669	0.7
151.03899	36.3
151.04958	2.5
151.07527	31.1
151.11206	0.6
152.04263	1.9
152.07928	0.9
153.06972	0.9
159.08000	4.2
159.11662	0.8
161.05917	1.0
163.07529	20.7
164.04706	2.5
164.07860	1.1
165.05446	4.3
169.06458	0.9
172.01981	0.7
173.13179	1.0
174.99213	8.0
176.98941	3.1
177.05553	1.0
177.09097	15.6
179.07024	16.7
180.07800	55.4
181.06589	1.3
181.08545	11.3
182.02092	3.4
183.04358	0.7
187.07549	2.7
196.05168	0.8
197.06015	2.5
198.06776	3.1
200.03178	3.5
205.08644	5.4
207.91771	0.7
209.05807	1.1
210.06805	1.4
211.07573	1.9
212.08292	1.3
213.05463	1.0
213.09154	1.0
215.06935	1.5
225.05519	2.5
226.06213	3.9
227.07039	1.9
228.04153	1.5
238.06096	0.9
239.07033	2.6
240.07887	1.8
241.08565	8.5
242.05765	1.0
242.09166	0.7
243.06575	2.6
252.99850	1.5
253.04939	1.2
253.08586	1.1
254.05530	0.8
255.06432	4.6
256.03680	0.8
256.07166	1.1
257.08118	2.9
261.08994	0.7
268.07388	1.1
269.08105	3.6
269.11606	0.8
270.08823	3.2
271.05981	6.0
279.10242	1.6
283.05972	1.2
283.09857	0.8
283.13272	1.0
285.04602	0.7
285.07599	3.1
285.10733	0.9
286.08316	7.1
297.07672	1.1
299.05536	1.6
300.10135	1.8
301.10651	5.0
311.09222	1.1
311.12628	5.8
313.07001	1.0
314.07819	20.4
314.11444	1.1
315.08377	2.5
329.10202	34.8
329.13794	4.7
329.17172	1.6
329.20801	1.0
329.24622	1.1
330.10580	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45841	0.7
53.03942	1.5
55.01870	2.9
55.05504	2.8
57.03439	2.0
65.03933	1.7
66.24965	0.7
67.05508	4.8
68.99767	0.8
69.03429	4.0
69.07069	6.0
69.71186	3.5
71.04983	3.0
79.05492	6.9
81.03421	5.2
81.07056	7.3
83.04982	1.6
83.08614	2.0
85.02896	2.7
85.06541	2.2
86.09698	0.7
88.94313	0.7
91.05479	17.1
93.03424	1.0
93.07043	11.6
94.04177	1.1
95.04961	4.1
95.08607	6.6
97.02902	1.5
97.06540	1.2
97.25554	0.7
98.98465	59.6
99.04436	1.0
101.06081	0.7
103.05464	36.2
104.05772	1.5
105.04505	0.9
105.07015	5.3
107.04944	6.6
107.08595	6.7
109.02866	3.3
109.06525	3.9
109.10133	3.6
111.04431	2.3
111.08067	2.2
115.05450	5.7
116.99486	1.3
117.07011	5.4
119.04939	6.3
119.08569	3.1
121.02843	1.0
121.06503	7.6
121.10140	7.8
122.03636	2.7
123.04422	7.3
123.08069	1.6
123.11701	1.1
125.05957	2.0
125.09697	0.8
127.03900	1.6
128.06215	1.8
129.06984	2.9
131.04933	18.5
131.08580	6.0
132.05557	0.9
133.02855	0.9
133.06465	2.5
133.10133	2.4
135.04395	1.8
135.08055	3.4
135.11652	1.0
136.05240	1.5
137.02356	2.0
137.05983	37.2
137.09645	1.0
138.06364	1.7
139.03853	0.8
139.05424	3.6
139.11148	2.2
141.05573	0.7
141.06989	2.6
142.07750	0.7
143.04965	1.5
143.08522	1.9
144.05696	1.7
145.06494	10.4
145.10123	2.3
146.07216	1.3
147.04411	6.2
147.08043	1.2
148.05180	2.8
149.06000	12.8
149.09584	3.5
149.13274	1.0
150.06656	1.4
151.03894	6.9
151.07539	12.5
152.06224	1.2
153.05443	3.6
153.06978	2.1
154.07800	0.8
155.08565	1.6
157.06468	2.1
157.10153	1.7
158.07184	0.9
159.08047	10.2
159.11719	1.4
160.05243	1.0
161.05974	6.6
161.13223	0.9
162.06747	1.1
163.03975	0.9
163.07567	17.7
164.04617	1.8
164.08342	13.7
165.05496	14.8
165.06966	2.5
165.09036	2.7
167.03421	3.3
167.04901	1.9
167.07030	6.4
167.08565	2.8
167.10713	1.8
169.06479	2.0
169.10091	1.6
170.07220	0.9
171.08093	1.4
171.11703	2.1
173.05998	2.3
173.09656	1.7
173.13255	1.3
174.99205	3.4
175.03929	0.8
175.07581	5.1
175.11102	0.9
176.04703	0.9
176.98924	2.1
177.05521	4.4
177.06870	1.2
177.09106	6.0
177.12691	0.8
177.67938	0.7
178.05820	0.8
178.09879	1.5
179.03470	1.4
179.07043	5.8
179.08508	1.1
179.14272	0.8
181.06424	6.6
181.10059	0.8
182.07082	1.3
183.04428	1.1
183.08168	1.5
183.11678	1.0
184.05199	2.2
185.05914	0.9
187.07527	6.9
188.03369	0.8
189.09113	2.6
190.06262	1.6
190.07845	1.1
191.07025	5.8
191.08615	1.4
193.04942	0.8
195.04460	6.2
195.08072	5.6
195.11708	1.2
196.05199	3.1
197.05977	5.0
197.09718	0.8
198.06850	1.1
199.07562	5.5
201.05347	1.1
203.10834	0.8
204.09341	0.9
205.08586	24.0
205.10423	1.5
207.08063	2.6
207.10193	0.7
208.08752	1.2
209.05981	26.9
209.09531	1.6
209.13322	1.8
210.06587	4.2
211.07506	2.7
212.04710	7.6
212.08243	1.2
213.05438	1.4
213.09065	1.9
213.12839	0.8
219.08092	2.1
221.05927	3.8
222.06798	1.1
222.10364	1.8
223.07507	10.0
223.11014	1.3
224.08163	1.1
225.09077	2.3
226.06210	2.1
227.07019	28.1
227.10632	1.7
227.14217	1.3
228.07532	2.1
229.08545	1.7
233.09729	1.8
235.07526	2.9
236.04700	1.2
236.08322	3.1
237.09103	3.2
237.12720	5.2
239.06982	2.9
239.10681	1.0
240.07800	2.4
241.04829	0.8
241.08525	3.9
241.19421	1.1
245.15465	1.3
247.07433	1.1
249.09074	1.4
250.06226	1.0
250.09898	5.1
251.07133	3.2
251.10645	3.4
253.08615	3.9
254.09210	2.0
255.06499	2.0
255.10187	4.5
256.07333	1.6
257.08142	0.9
258.08914	0.9
259.09671	7.8
260.10208	0.9
261.09143	1.8
265.12231	100.0
265.19531	3.6
266.12540	7.7
267.06699	0.9
267.10107	2.3
268.07266	1.3
268.10880	2.3
269.08145	1.7
269.11652	2.2
269.15323	1.5
270.08813	2.2
271.09586	1.4
279.10129	5.4
280.10864	1.5
282.08804	1.5
283.09625	6.0
283.13098	2.1
283.20520	4.9
284.06738	1.1
285.07654	0.9
285.11227	2.0
286.08261	1.2
296.10492	2.1
297.07837	1.1
297.11282	3.7
297.14801	25.9
298.15134	1.7
299.09286	1.5
299.12732	2.0
301.10706	1.1
301.13916	0.8
311.09003	2.0
311.12741	5.7
311.20145	3.3
315.08591	2.0
329.06577	1.6
329.10120	11.7
329.13770	26.9
329.17419	6.7
329.21136	3.4
330.10608	2.1
330.14166	2.4
330.17612	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45841	0.7
53.03942	1.5
55.01870	2.9
55.05504	2.8
57.03439	2.0
65.03933	1.7
66.24965	0.7
67.05508	4.8
68.99767	0.8
69.03429	4.0
69.07069	6.0
69.71186	3.5
71.04983	3.0
79.05492	6.9
81.03421	5.2
81.07056	7.3
83.04982	1.6
83.08614	2.0
85.02896	2.7
85.06541	2.2
86.09698	0.7
88.94313	0.7
91.05479	17.1
93.03424	1.0
93.07043	11.6
94.04177	1.1
95.04961	4.1
95.08607	6.6
97.02902	1.5
97.06540	1.2
97.25554	0.7
98.98465	59.6
99.04436	1.0
101.06081	0.7
103.05464	36.2
104.05772	1.5
105.04505	0.9
105.07015	5.3
107.04944	6.6
107.08595	6.7
109.02866	3.3
109.06525	3.9
109.10133	3.6
111.04431	2.3
111.08067	2.2
115.05450	5.7
116.99486	1.3
117.07011	5.4
119.04939	6.3
119.08569	3.1
121.02843	1.0
121.06503	7.6
121.10140	7.8
122.03636	2.7
123.04422	7.3
123.08069	1.6
123.11701	1.1
125.05957	2.0
125.09697	0.8
127.03900	1.6
128.06215	1.8
129.06984	2.9
131.04933	18.5
131.08580	6.0
132.05557	0.9
133.02855	0.9
133.06465	2.5
133.10133	2.4
135.04395	1.8
135.08055	3.4
135.11652	1.0
136.05240	1.5
137.02356	2.0
137.05983	37.2
137.09645	1.0
138.06364	1.7
139.03853	0.8
139.05424	3.6
139.11148	2.2
141.05573	0.7
141.06989	2.6
142.07750	0.7
143.04965	1.5
143.08522	1.9
144.05696	1.7
145.06494	10.4
145.10123	2.3
146.07216	1.3
147.04411	6.2
147.08043	1.2
148.05180	2.8
149.06000	12.8
149.09584	3.5
149.13274	1.0
150.06656	1.4
151.03894	6.9
151.07539	12.5
152.06224	1.2
153.05443	3.6
153.06978	2.1
154.07800	0.8
155.08565	1.6
157.06468	2.1
157.10153	1.7
158.07184	0.9
159.08047	10.2
159.11719	1.4
160.05243	1.0
161.05974	6.6
161.13223	0.9
162.06747	1.1
163.03975	0.9
163.07567	17.7
164.04617	1.8
164.08342	13.7
165.05496	14.8
165.06966	2.5
165.09036	2.7
167.03421	3.3
167.04901	1.9
167.07030	6.4
167.08565	2.8
167.10713	1.8
169.06479	2.0
169.10091	1.6
170.07220	0.9
171.08093	1.4
171.11703	2.1
173.05998	2.3
173.09656	1.7
173.13255	1.3
174.99205	3.4
175.03929	0.8
175.07581	5.1
175.11102	0.9
176.04703	0.9
176.98924	2.1
177.05521	4.4
177.06870	1.2
177.09106	6.0
177.12691	0.8
177.67938	0.7
178.05820	0.8
178.09879	1.5
179.03470	1.4
179.07043	5.8
179.08508	1.1
179.14272	0.8
181.06424	6.6
181.10059	0.8
182.07082	1.3
183.04428	1.1
183.08168	1.5
183.11678	1.0
184.05199	2.2
185.05914	0.9
187.07527	6.9
188.03369	0.8
189.09113	2.6
190.06262	1.6
190.07845	1.1
191.07025	5.8
191.08615	1.4
193.04942	0.8
195.04460	6.2
195.08072	5.6
195.11708	1.2
196.05199	3.1
197.05977	5.0
197.09718	0.8
198.06850	1.1
199.07562	5.5
201.05347	1.1
203.10834	0.8
204.09341	0.9
205.08586	24.0
205.10423	1.5
207.08063	2.6
207.10193	0.7
208.08752	1.2
209.05981	26.9
209.09531	1.6
209.13322	1.8
210.06587	4.2
211.07506	2.7
212.04710	7.6
212.08243	1.2
213.05438	1.4
213.09065	1.9
213.12839	0.8
219.08092	2.1
221.05927	3.8
222.06798	1.1
222.10364	1.8
223.07507	10.0
223.11014	1.3
224.08163	1.1
225.09077	2.3
226.06210	2.1
227.07019	28.1
227.10632	1.7
227.14217	1.3
228.07532	2.1
229.08545	1.7
233.09729	1.8
235.07526	2.9
236.04700	1.2
236.08322	3.1
237.09103	3.2
237.12720	5.2
239.06982	2.9
239.10681	1.0
240.07800	2.4
241.04829	0.8
241.08525	3.9
241.19421	1.1
245.15465	1.3
247.07433	1.1
249.09074	1.4
250.06226	1.0
250.09898	5.1
251.07133	3.2
251.10645	3.4
253.08615	3.9
254.09210	2.0
255.06499	2.0
255.10187	4.5
256.07333	1.6
257.08142	0.9
258.08914	0.9
259.09671	7.8
260.10208	0.9
261.09143	1.8
265.12231	100.0
265.19531	3.6
266.12540	7.7
267.06699	0.9
267.10107	2.3
268.07266	1.3
268.10880	2.3
269.08145	1.7
269.11652	2.2
269.15323	1.5
270.08813	2.2
271.09586	1.4
279.10129	5.4
280.10864	1.5
282.08804	1.5
283.09625	6.0
283.13098	2.1
283.20520	4.9
284.06738	1.1
285.07654	0.9
285.11227	2.0
286.08261	1.2
296.10492	2.1
297.07837	1.1
297.11282	3.7
297.14801	25.9
298.15134	1.7
299.09286	1.5
299.12732	2.0
301.10706	1.1
301.13916	0.8
311.09003	2.0
311.12741	5.7
311.20145	3.3
315.08591	2.0
329.06577	1.6
329.10120	11.7
329.13770	26.9
329.17419	6.7
329.21136	3.4
330.10608	2.1
330.14166	2.4
330.17612	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92266	0.6
53.52370	0.5
54.07993	0.6
55.01858	1.7
55.05510	5.1
57.03423	1.1
57.07059	0.6
60.04520	3.2
60.61871	0.7
61.05982	0.6
63.55399	0.5
63.73888	0.6
65.23211	0.5
67.05496	4.9
69.07059	1.4
69.31759	1.6
69.32180	2.3
71.04957	0.6
71.08610	0.7
72.08141	1.1
79.05495	5.0
81.07057	9.0
83.04997	0.6
83.08606	3.5
85.02908	1.7
85.06572	0.7
91.05466	5.1
92.34558	0.6
93.07037	4.0
95.04971	1.1
95.08604	12.3
97.06536	2.2
97.10143	2.8
98.05977	0.6
98.98460	100.0
99.08121	0.8
100.98882	0.7
103.05487	2.0
105.07029	2.7
107.08598	1.5
109.06486	0.6
109.10152	1.7
111.04384	0.6
111.08080	1.7
115.05398	0.9
115.61764	0.6
115.65095	0.5
116.99495	2.1
117.07064	0.7
119.08567	2.0
121.06435	1.1
121.10150	0.6
123.04400	1.5
123.08056	17.1
125.05915	0.8
125.09626	2.3
129.01842	0.8
131.04877	1.2
131.08571	1.5
137.05942	2.8
137.09590	3.3
139.07529	9.3
140.01146	1.0
141.09093	17.1
145.06508	1.0
147.04372	3.2
149.05951	1.3
151.03903	6.2
151.07532	2.3
153.09097	5.1
155.10704	1.7
155.14310	0.7
159.08055	1.9
163.07542	1.2
174.99208	7.3
175.09619	0.8
176.98926	3.8
177.09081	4.7
179.07079	0.7
181.10059	0.8
187.07658	1.5
187.09642	1.7
187.11205	0.6
189.11209	2.3
198.06660	0.7
199.07635	0.7
205.08566	2.1
211.07559	0.8
226.06241	0.7
227.06972	0.9
241.08618	1.7
250.06281	0.6
255.06505	1.1
257.08182	0.7
269.08136	1.1
270.08826	1.2
271.05954	0.8
272.17365	0.7
279.10251	0.7
286.08203	1.0
293.17398	0.6
301.10745	1.2
311.09283	0.6
311.12701	0.8
329.10193	3.5
329.13766	2.6
329.19638	6.3
329.24747	1.0
330.18423	0.7
330.26367	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	329.2322
Annotation	2,3-Dinor-8-iso prostaglandin F1alpha
Peak:m/z	Relative Intensity
55.05500	2.7
57.03420	0.8
57.07052	1.0
57.74358	0.6
67.05502	6.0
69.07061	2.8
69.13340	6.2
79.05491	6.2
79.12630	0.7
81.07045	7.7
83.08617	1.1
91.04984	0.6
91.05481	3.6
93.06565	0.6
93.07029	3.7
94.34058	0.6
95.08596	11.1
97.06535	1.2
97.10159	1.6
98.98462	100.0
100.98892	1.0
103.05467	1.9
105.07031	3.1
107.08603	2.4
109.06515	1.3
109.10149	2.9
113.09646	1.2
116.99517	2.7
119.08569	3.0
121.06490	1.8
121.10141	1.9
123.04451	0.8
123.08060	9.0
131.04941	1.4
131.08568	2.0
133.10097	1.6
135.11694	1.3
137.05948	2.4
140.01114	0.9
141.09114	1.1
142.58417	0.7
145.06459	1.6
145.10118	1.1
147.11600	0.9
149.09615	1.7
151.03793	0.7
151.07556	5.0
157.10071	1.2
159.11684	1.3
163.07578	1.7
163.95906	0.6
165.07030	0.9
167.06905	0.7
169.08623	2.2
169.10028	0.8
171.11646	0.7
174.99236	6.9
176.98875	3.9
179.07141	0.7
187.09651	5.0
187.11119	0.9
195.09241	0.7
201.09167	0.8
205.08524	1.6
243.06548	1.3
256.26483	0.7
258.08746	0.8
271.06146	1.3
275.20004	2.4
285.07611	1.3
286.08423	1.8
293.21173	6.2
299.05402	0.8
313.07098	1.0
314.07816	3.2
329.10217	18.2
329.13672	1.0
329.24667	3.6
330.10593	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.1
54.41757	0.9
55.01866	1.2
55.05511	16.2
57.03437	1.7
57.07066	1.6
59.04985	3.1
65.03939	1.3
67.05505	47.6
69.03428	1.2
69.07066	9.9
69.28499	2.1
69.28902	5.9
71.04978	2.7
79.05497	10.0
81.03416	1.1
81.07057	28.9
82.41064	0.9
83.08624	9.7
85.06530	2.4
86.29811	1.0
88.07597	1.1
89.09483	1.0
91.05482	9.6
93.07035	6.7
95.04957	1.2
95.08598	11.3
97.06534	3.1
97.07132	1.0
97.10164	10.9
98.98466	100.0
100.98919	1.1
103.05463	10.9
103.75175	1.2
105.07038	4.8
107.04935	1.6
107.08588	7.2
108.34863	1.0
109.06511	2.7
109.10158	39.8
110.10478	1.5
111.08067	3.5
115.05470	2.5
116.99496	2.3
117.07001	3.1
119.04907	1.3
119.08573	6.7
121.06503	1.9
121.10154	5.5
123.04408	3.6
123.11690	6.2
125.09637	8.1
131.04929	6.5
131.08551	3.9
133.10138	2.4
135.08090	1.8
135.11679	1.4
137.05995	18.0
137.09637	5.4
139.11188	7.5
145.06459	7.1
145.10153	2.9
147.04379	2.3
147.11690	1.3
148.05144	2.4
149.05977	3.6
149.09598	1.5
149.13344	1.5
151.07552	5.1
153.09137	1.7
155.10669	6.8
157.10147	1.2
157.12315	2.1
159.08051	7.1
159.11685	1.1
161.06004	2.0
161.13283	1.4
163.07541	11.2
164.08328	3.1
167.07094	1.7
173.11746	22.1
173.13217	2.2
174.99203	6.5
176.98906	3.3
177.05408	0.9
177.09126	2.3
179.07011	2.7
181.04971	1.4
187.07553	4.7
187.13379	1.7
189.11218	9.8
191.07048	1.8
191.10435	1.0
205.08617	9.5
229.19505	1.7
233.09459	1.4
247.20451	1.2
257.19113	1.7
265.21597	3.6
267.68167	1.0
271.09448	1.3
275.20050	7.6
279.10254	2.5
293.21072	3.5
311.12747	3.8
311.22202	1.7
329.10135	3.5
329.13895	4.8
329.21140	1.5
329.24869	3.5
329.32248	5.3
330.33640	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2321
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
52.26765	0.7
53.03953	0.9
53.32421	0.7
53.40873	0.6
53.84723	0.7
55.01857	1.3
55.05511	9.3
57.03431	1.3
57.07068	3.6
59.05016	3.4
67.05155	1.3
67.05502	22.0
68.05850	1.0
69.03436	0.9
69.07063	6.7
70.06591	1.8
71.05001	3.5
72.08143	0.8
73.02941	0.6
79.05499	5.3
81.07053	20.2
83.08617	11.8
85.06534	1.5
85.83312	0.6
87.04464	9.1
88.07641	1.3
91.05502	3.7
93.07047	6.1
95.04995	0.8
95.08597	7.1
96.70927	0.6
97.06527	3.2
97.10162	7.8
98.98466	100.0
100.98894	1.6
101.05991	0.9
102.09170	1.6
103.05476	3.5
105.07019	3.1
107.08591	3.9
108.09005	0.8
109.10155	51.4
110.10490	1.8
111.08081	1.6
116.99509	2.9
119.08582	1.5
121.06506	0.9
121.10139	3.5
123.04430	0.9
123.11705	18.5
124.12061	1.0
125.09609	6.6
127.11168	2.6
129.01852	1.0
131.04955	1.9
131.08577	1.8
133.10153	4.8
135.04427	2.1
135.08022	1.2
135.11716	0.9
137.05060	0.8
137.05954	4.4
137.09653	4.4
139.11166	1.9
140.01083	1.1
141.12724	4.2
145.06503	2.0
145.10114	2.0
147.04419	1.3
149.05988	1.9
151.03893	3.5
151.07585	0.8
151.11215	1.9
153.09137	1.7
155.10643	2.6
159.08072	2.1
159.11736	1.1
163.07555	2.4
167.03389	0.8
167.10675	1.3
169.06511	0.9
169.12241	2.4
173.11740	9.3
173.13173	0.8
174.99232	7.6
176.98923	3.5
177.09029	1.8
179.06993	0.9
187.07535	1.6
187.13295	14.6
187.14807	0.6
188.13799	1.0
189.11217	6.3
203.12695	1.2
205.08606	1.8
225.05437	1.2
241.08551	1.4
243.06609	5.5
256.07156	1.5
256.26434	1.1
265.21585	1.6
268.07263	3.3
268.30057	1.4
269.08075	1.0
270.27859	3.6
271.05978	3.8
275.20096	1.2
285.07458	3.9
286.08234	2.0
293.21155	3.0
296.06833	2.5
299.05463	5.5
300.06265	1.2
300.09882	0.8
301.10745	1.0
311.12759	1.3
311.22269	2.2
313.07050	17.9
314.07791	24.5
315.08105	3.0
329.10193	51.5
329.17227	5.1
329.24615	2.1
330.10437	7.0
330.13351	0.7
330.30008	9.5
330.33704	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	329.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.9
55.01854	3.1
55.05507	40.0
57.03428	7.3
57.07074	24.4
59.04990	1.7
67.05496	52.6
67.05859	2.5
69.07062	50.9
70.06586	14.6
70.07385	1.6
71.04987	2.5
71.08627	17.3
79.05481	32.1
81.07049	57.0
81.29775	1.4
83.04986	2.2
83.08614	41.9
85.10172	7.4
88.07615	17.6
91.05479	6.6
93.07037	42.3
95.04996	1.5
95.08598	41.2
97.06518	20.2
97.10161	20.9
98.22509	3.2
98.98458	72.5
102.09196	3.8
103.03941	4.3
105.07058	3.5
106.08687	7.4
107.08578	32.5
109.10143	21.3
109.67507	1.6
111.08073	9.4
111.11723	5.2
115.07555	2.1
115.11151	1.7
119.08594	3.1
121.09250	3.2
121.10136	65.4
122.10484	1.8
123.07970	1.6
123.11694	14.2
125.09626	5.6
129.05415	4.5
131.08563	2.3
133.10152	2.0
135.11679	41.4
137.06102	1.7
137.13222	13.2
139.11174	4.9
149.13249	17.9
151.14844	2.7
153.12738	4.2
159.11668	2.2
163.14838	10.0
167.14383	2.5
173.11768	4.3
173.13251	1.9
174.99265	5.3
176.98990	1.9
177.16428	2.8
209.09613	2.1
219.21063	46.3
220.21347	1.7
237.22084	31.0
238.22412	1.8
255.23221	5.5
288.33524	1.5
311.25858	18.8
312.32547	6.1
329.24500	2.2
330.33621	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30350	0.7
53.03947	0.9
55.01855	1.8
55.05508	9.5
57.03430	2.0
57.07068	2.3
65.03947	1.6
67.05501	31.1
69.03423	0.9
69.07068	13.3
69.70459	4.5
71.04999	3.8
71.08617	1.1
79.05484	12.2
80.36211	0.7
81.07056	42.2
81.75105	0.9
82.07388	1.8
83.04997	1.5
83.08612	6.9
85.06540	3.2
91.05479	9.2
93.07038	14.7
95.04955	1.5
95.08602	38.9
97.06544	2.8
97.10167	5.3
98.98460	12.2
99.08110	1.0
103.05474	8.7
105.07013	4.1
107.04944	2.2
107.08578	7.3
108.05737	2.4
109.02909	1.0
109.06525	1.5
109.10152	18.2
110.10487	0.7
111.08101	0.9
111.11704	1.2
115.05473	0.8
117.07010	3.3
119.04959	1.2
119.08570	5.9
121.06477	0.8
121.10133	9.0
122.03613	1.4
123.04409	4.0
123.11699	7.9
125.09642	1.9
126.38788	0.7
127.11181	0.7
131.04895	5.6
131.08565	4.5
133.06418	0.8
133.10130	5.7
135.04410	6.0
135.08049	2.6
135.11679	6.0
137.05966	13.9
137.09642	0.9
137.13231	4.6
139.11171	1.2
145.06464	5.7
145.10109	2.3
147.04398	1.9
147.11716	4.7
148.05107	1.7
149.06004	2.8
149.09589	1.1
149.13295	3.2
151.07553	4.3
151.11198	1.1
151.14796	1.5
153.05338	1.0
159.08057	7.5
159.11684	2.4
161.06047	1.3
161.13231	4.5
162.06744	0.8
163.07524	8.6
163.11208	1.0
163.14836	1.1
164.08333	3.6
165.12766	2.7
173.11856	1.0
173.13269	3.0
177.09146	1.4
177.12764	1.0
177.16318	1.3
179.07089	1.3
179.14310	1.8
181.12210	0.9
187.07503	4.8
187.14836	1.7
191.07036	2.2
195.13719	1.1
197.05992	0.9
205.08559	7.1
209.15346	1.6
215.07013	2.8
227.06929	1.7
233.09666	1.3
239.07007	1.0
243.06525	13.9
243.21140	5.6
244.06866	0.9
251.06993	1.0
255.06525	1.1
256.07135	1.2
261.09134	1.3
261.22113	10.4
271.05997	25.6
272.06274	2.1
279.10037	1.2
279.23178	30.8
280.23642	1.8
284.03232	1.1
285.07538	5.6
286.08356	4.9
296.10263	1.3
297.24216	2.6
298.04837	1.4
299.05484	17.8
300.05911	1.2
311.12708	2.5
313.07022	18.1
314.07803	81.6
315.08224	7.4
316.99164	0.9
329.10178	100.0
329.13504	4.6
330.10471	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	329.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.9
55.01854	3.1
55.05507	40.0
57.03428	7.3
57.07074	24.4
59.04990	1.7
67.05496	52.6
67.05859	2.5
69.07062	50.9
70.06586	14.6
70.07385	1.6
71.04987	2.5
71.08627	17.3
79.05481	32.1
81.07049	57.0
81.29775	1.4
83.04986	2.2
83.08614	41.9
85.10172	7.4
88.07615	17.6
91.05479	6.6
93.07037	42.3
95.04996	1.5
95.08598	41.2
97.06518	20.2
97.10161	20.9
98.22509	3.2
98.98458	72.5
102.09196	3.8
103.03941	4.3
105.07058	3.5
106.08687	7.4
107.08578	32.5
109.10143	21.3
109.67507	1.6
111.08073	9.4
111.11723	5.2
115.07555	2.1
115.11151	1.7
119.08594	3.1
121.09250	3.2
121.10136	65.4
122.10484	1.8
123.07970	1.6
123.11694	14.2
125.09626	5.6
129.05415	4.5
131.08563	2.3
133.10152	2.0
135.11679	41.4
137.06102	1.7
137.13222	13.2
139.11174	4.9
149.13249	17.9
151.14844	2.7
153.12738	4.2
159.11668	2.2
163.14838	10.0
167.14383	2.5
173.11768	4.3
173.13251	1.9
174.99265	5.3
176.98990	1.9
177.16428	2.8
209.09613	2.1
219.21063	46.3
220.21347	1.7
237.22084	31.0
238.22412	1.8
255.23221	5.5
288.33524	1.5
311.25858	18.8
312.32547	6.1
329.24500	2.2
330.33621	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	7.1
55.05508	35.9
57.07073	5.8
60.04523	9.7
65.03928	1.7
67.05502	16.2
69.03418	5.9
69.07070	17.9
70.20399	4.4
71.08627	2.1
72.08158	2.4
78.59000	1.9
79.05496	17.0
81.07059	15.0
82.05244	1.7
83.04979	3.2
83.08614	44.2
85.06549	2.5
86.06085	2.4
91.05478	6.5
93.07036	14.5
95.08597	6.0
97.06536	4.5
97.10169	43.1
98.98463	100.0
100.11289	4.0
102.70963	1.9
103.05464	2.3
105.07030	6.8
107.08588	19.5
109.10161	3.6
111.08063	11.4
115.05450	2.8
116.99507	3.0
119.08562	3.6
121.02876	5.2
121.06495	2.0
121.10108	8.0
124.11209	11.6
125.09634	36.7
133.06499	4.1
135.08058	12.7
137.05981	6.4
137.09654	1.9
138.09116	3.9
139.07538	17.9
139.11150	12.7
142.12280	22.2
143.10637	4.4
148.52129	1.8
152.10739	2.0
153.09108	16.4
156.10187	27.2
156.13855	8.2
157.08643	4.6
157.12238	2.7
160.09599	2.4
160.13336	7.2
161.05972	4.0
165.07034	4.2
170.11754	84.6
171.10155	2.3
171.12061	3.3
174.11195	5.9
174.14897	6.1
174.99252	3.7
175.09674	6.6
176.98979	5.2
181.06470	4.1
183.08047	3.8
185.06017	2.7
189.09615	2.0
189.11203	10.5
193.08612	7.0
197.06013	3.7
211.07494	4.2
221.11839	1.9
227.06963	2.7
230.05725	2.2
238.06082	2.7
271.09665	3.1
285.11429	1.9
312.21674	49.4
312.25314	2.5
313.21924	4.1
330.10898	3.6
330.26309	8.4
331.08218	3.4
331.11786	27.3
331.18481	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	330.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	5.3
57.03434	12.9
57.07069	8.8
58.06606	2.9
67.05490	13.6
68.05854	2.0
69.07064	8.4
70.06592	14.9
71.08619	8.2
79.05507	6.5
81.07056	17.9
83.08624	3.9
87.04464	37.8
88.07623	25.4
91.05470	10.4
93.07041	8.1
94.04676	2.0
95.05009	3.0
95.08595	10.0
97.10165	7.5
98.22617	5.4
98.98460	97.9
99.08104	3.0
101.06012	75.9
102.09180	10.1
103.92136	2.3
104.86466	2.2
105.07001	3.1
107.08585	5.3
109.10159	7.4
116.99472	3.2
119.04948	4.1
119.08561	7.5
121.10147	3.4
123.11715	3.2
125.09631	7.5
131.06181	2.0
133.10144	3.3
135.07970	2.4
137.06004	4.6
149.05962	3.4
150.06358	3.1
151.03926	6.3
151.07509	4.9
152.04250	6.2
155.10652	2.6
164.07808	3.9
173.11739	3.9
174.99159	3.4
176.98924	6.8
178.09393	2.3
179.07018	2.9
180.07666	6.8
181.08202	9.5
182.08864	2.9
189.11264	6.6
230.24754	2.4
256.26331	33.1
270.27814	3.5
277.21564	6.2
292.44720	2.5
298.55804	2.3
312.12854	2.5
330.10574	3.0
330.14114	2.7
330.30008	100.0
331.11539	4.0
331.18765	3.0
331.30301	5.0
341.33340	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	330.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	5.0
55.05513	23.5
57.03433	7.4
57.07054	9.5
57.90937	4.8
65.03934	5.1
67.05505	51.4
69.07063	23.7
69.26621	9.7
69.27033	26.7
71.04993	7.8
79.05494	19.3
81.03407	4.9
81.07051	46.1
83.04978	14.1
83.08614	11.8
87.04470	16.6
88.07626	6.6
91.05465	12.6
93.07037	23.6
95.04955	5.1
95.08607	22.8
97.06569	4.1
97.10168	6.5
98.23322	7.0
98.98463	100.0
101.06029	7.7
105.07027	12.2
107.08599	15.7
109.10170	33.8
111.08099	4.4
119.08579	21.2
121.10133	12.5
123.11701	8.4
125.09634	6.6
133.10114	6.9
135.11679	7.8
139.11197	9.0
149.13213	5.5
155.10657	8.7
157.10156	4.5
161.13277	8.8
163.14819	4.2
165.12743	5.3
172.13388	16.4
173.11775	21.6
173.13113	3.9
173.46568	4.1
176.98967	8.3
189.11217	5.7
193.12183	4.9
198.24088	4.2
211.13339	4.4
261.85272	4.1
270.27808	6.1
277.21545	25.8
287.08630	3.9
295.22699	7.9
330.10541	13.7
330.29953	26.6
330.33710	19.4
331.11346	7.0
331.19061	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	330.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.2
55.01868	5.0
55.05513	56.3
57.03435	2.2
57.07066	1.6
60.94825	1.4
67.05505	21.3
69.03438	8.4
69.07069	11.4
69.60236	6.0
69.60650	2.9
71.08626	4.4
72.12833	1.5
74.47946	1.9
79.05491	17.2
81.03412	3.4
81.07063	18.3
83.04990	4.4
83.08619	37.7
83.92661	1.8
91.05455	8.0
93.07037	11.4
95.04944	3.4
95.08613	5.7
97.06548	1.9
97.10170	73.6
98.10483	1.8
98.98470	40.3
99.08105	4.9
101.09660	1.6
103.05452	8.3
104.05810	3.3
105.07022	6.2
107.04968	1.7
107.08583	22.6
108.05304	1.7
109.06501	2.8
109.10154	6.3
112.22885	1.7
116.99495	2.0
117.07021	2.8
119.04940	2.2
119.08573	2.7
121.10171	3.5
123.04415	2.4
123.11730	2.6
125.08712	2.9
125.09628	60.6
126.09994	3.8
126.12770	2.3
131.04976	3.9
131.08597	3.2
132.05244	3.5
133.06487	2.3
133.10135	3.1
135.04402	3.2
135.08070	4.8
135.11722	3.1
136.04814	2.8
136.08350	1.7
136.76384	1.6
137.05975	16.2
138.06305	8.3
143.10658	3.1
145.06424	5.2
145.10155	3.0
146.06830	3.3
147.04468	1.8
147.11708	2.5
148.51436	1.5
149.05937	2.3
151.07571	2.8
151.11180	5.4
152.07921	2.1
153.09099	3.8
154.02563	1.9
157.10078	1.6
159.08093	3.5
160.08427	4.5
161.06004	1.9
161.13274	3.7
162.06345	2.3
163.07635	5.7
164.07913	5.6
165.08673	2.6
169.01328	2.1
171.10190	7.9
173.13235	1.7
177.09038	1.7
179.14363	2.0
182.02126	9.9
183.02452	8.7
187.93845	1.5
188.08061	2.9
189.11218	100.0
190.11578	3.5
200.03116	5.8
201.03572	4.0
205.08565	2.9
206.08948	5.0
223.26698	1.5
234.83005	1.7
244.06764	2.1
259.20523	3.8
272.06433	2.3
277.18643	3.6
277.21622	49.7
278.22067	2.4
295.22531	8.0
312.09500	3.7
312.13129	3.4
314.07529	6.2
315.04422	2.3
315.08163	69.3
316.08444	6.0
330.10547	95.0
330.14038	6.0
331.11014	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	331.0447
Annotation	3,3'-di-O-Methylellagic acid
Peak:m/z	Relative Intensity
69.07074	0.2
69.39051	0.2
70.78262	0.3
70.78582	0.2
72.19733	0.2
74.11102	0.2
75.20684	0.1
76.03137	0.2
76.46250	0.2
79.05479	0.2
91.05469	0.7
95.08583	0.2
98.98466	1.0
103.05435	0.7
104.18070	0.2
104.80610	0.2
105.07026	0.3
109.06501	0.3
115.05424	0.6
116.02657	0.2
119.04899	0.5
121.06519	0.4
129.06989	0.3
131.04918	1.1
135.08041	0.2
137.05984	2.2
141.03293	0.5
144.02042	0.7
145.02856	0.2
145.06422	0.2
147.04388	0.4
149.05974	0.4
151.07550	2.6
157.02808	0.3
157.06380	0.2
158.03580	0.5
159.04391	0.8
161.05962	0.6
161.09651	0.3
163.07529	0.5
165.06975	0.3
165.09053	0.3
167.08575	0.4
169.02849	1.0
171.04376	0.3
172.01546	0.4
173.02345	0.2
174.06767	0.2
175.07445	0.2
176.04663	0.5
178.07782	0.2
179.03401	0.2
185.02339	0.6
186.03134	0.7
187.03867	1.1
189.01804	1.0
189.09073	0.9
195.08067	0.6
197.02345	1.1
200.01128	0.9
201.01807	0.5
203.03403	0.4
204.04149	0.7
210.06699	0.3
213.01843	1.2
214.00543	0.2
214.02499	1.4
215.03363	1.8
216.03819	0.2
217.01273	1.9
223.07518	0.3
225.01814	12.1
226.02122	0.7
226.99667	0.3
227.10629	0.7
228.00514	9.8
229.01074	0.8
231.02866	0.5
232.03639	0.8
232.51263	0.2
241.01292	0.6
242.02103	1.2
243.02844	1.0
245.00844	2.8
247.02304	0.2
253.01311	11.9
253.08559	0.6
253.12111	0.3
254.01730	0.5
255.10106	0.6
256.00018	3.3
257.00720	0.5
260.03137	3.0
261.03635	0.4
270.01566	1.2
271.02359	23.7
272.02759	1.1
273.00281	7.9
274.00620	0.5
283.99518	5.7
285.00247	1.9
285.11078	0.5
287.01801	0.4
287.12839	1.1
288.02545	0.6
298.01068	0.6
299.01843	49.2
300.02313	4.3
300.99774	15.0
302.00070	1.0
313.14359	0.4
316.02121	31.9
317.02432	1.6
331.04453	100.0
331.17252	3.0
332.04782	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	331.0788
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86001	0.8
53.83777	0.8
54.67956	0.9
70.88377	1.7
71.55285	1.0
81.03430	1.0
85.02911	4.7
91.05486	0.9
92.41303	0.9
93.07769	0.8
98.98466	100.0
100.98911	2.4
105.07017	2.0
108.08123	5.5
109.02879	1.1
116.98726	1.3
116.99518	4.0
123.04413	1.6
127.03898	1.4
134.06046	1.3
136.07578	1.2
137.05992	2.1
145.04970	1.4
147.04372	1.0
151.03856	1.0
152.07059	3.7
153.01869	1.1
163.03923	1.2
169.05002	1.9
174.99242	3.8
176.98936	7.7
177.00407	1.3
179.03362	3.1
181.04979	2.6
189.00806	0.9
193.04999	2.3
209.13225	1.4
211.05992	1.2
235.05949	1.1
267.17343	1.6
285.18304	1.9
314.12381	2.4
331.07788	27.3
331.19040	2.6
332.08127	2.2
332.13538	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0809
Annotation	3,8-Dimethylherbacetin
Peak:m/z	Relative Intensity
55.01870	0.4
55.05513	0.3
56.03500	0.3
56.78894	0.3
65.03941	0.8
67.01851	0.3
67.05495	0.9
67.52460	0.2
69.07048	0.3
69.88623	0.2
70.06576	0.4
74.13062	0.2
79.05489	0.7
81.07049	0.8
83.08620	0.3
91.05470	1.1
92.02623	2.2
93.03415	1.6
93.07034	1.1
95.04968	0.7
95.08598	1.5
97.10156	0.4
98.22430	0.4
98.98469	12.7
100.98884	0.3
103.05467	0.9
104.05827	0.3
105.07011	1.5
107.04969	0.4
107.08601	0.8
109.10176	0.4
111.04450	0.7
111.08067	0.3
116.99503	0.4
118.00513	0.3
119.04971	0.3
119.08559	0.4
120.23995	0.3
121.02845	1.9
121.06495	0.5
121.10105	0.4
122.03687	0.3
123.04435	0.6
123.08071	0.4
123.11712	0.3
129.06982	0.4
131.04950	0.5
131.08553	0.6
133.06537	0.5
133.10167	0.4
135.04446	0.4
137.02399	0.4
137.05963	2.5
138.06314	0.5
140.04643	2.3
141.06924	0.3
145.10098	0.6
146.06770	0.4
149.02318	0.4
149.06093	0.3
151.03918	2.5
151.07593	0.7
153.05473	0.6
157.06467	0.4
157.10114	0.3
159.08046	0.4
161.05965	0.8
163.07565	0.9
163.11084	0.3
164.08160	0.4
165.06966	0.6
167.03395	21.7
168.03716	1.0
174.99142	0.4
176.98924	0.6
177.05522	0.8
179.03368	1.1
179.07068	0.6
181.04974	0.4
181.06393	0.4
183.08090	0.5
183.11739	0.4
185.06021	0.6
187.07523	0.6
189.09311	0.4
191.03215	0.4
191.07109	0.5
193.04968	0.6
197.06071	0.4
199.03758	0.4
200.04674	0.3
203.07040	0.4
207.06689	0.4
213.05429	0.6
214.06279	0.8
215.07001	1.3
217.04974	1.9
225.05359	0.4
225.09029	0.4
226.06139	0.3
227.03410	1.0
227.06947	0.5
228.03970	0.5
231.06529	3.8
232.07204	1.4
233.04424	0.8
238.06071	0.3
242.05759	2.7
243.06525	5.0
244.06993	0.6
245.04391	1.8
257.04233	0.3
257.08075	0.4
259.06009	3.8
260.06723	3.3
261.14777	0.4
271.06046	3.1
271.09122	0.4
273.03918	0.6
274.04575	0.7
281.10922	0.4
285.07663	0.6
285.11078	0.4
287.05508	4.2
288.06250	7.2
289.06619	0.5
298.04764	0.8
299.05493	4.8
299.08762	0.6
300.06165	0.4
313.10614	0.3
313.13846	0.4
316.05759	23.6
317.06168	1.9
331.08105	100.0
331.11414	3.6
331.18900	1.5
332.08444	6.8
332.12228	0.5
332.27838	0.4
352.02023	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0811
Annotation	Dillenetin
Peak:m/z	Relative Intensity
51.84438	0.3
55.01851	0.4
55.05484	0.6
67.05455	1.0
68.99773	0.4
69.03402	0.4
69.07030	0.4
69.11356	1.0
69.11782	2.0
71.04941	0.5
79.05443	0.7
79.33691	0.3
80.85750	0.3
81.03379	0.4
81.07046	1.7
91.05422	1.5
93.06973	0.7
95.04956	0.5
95.08613	2.2
98.98463	7.2
103.05413	1.0
105.03385	0.4
105.06979	1.3
107.04895	0.6
107.08565	0.5
109.02811	0.4
109.10114	0.7
115.05441	0.4
118.04081	0.4
119.04985	0.7
119.08531	0.6
121.06419	0.7
121.10127	0.4
123.04326	0.4
123.08057	0.9
123.11630	1.0
128.06183	0.4
131.04872	0.8
131.08594	0.5
133.06464	0.6
133.10014	0.6
135.04379	0.4
135.07980	0.4
137.02274	0.7
137.05963	2.2
140.13899	0.3
142.00093	0.3
145.06425	0.4
147.04340	1.1
149.06004	0.7
151.03889	1.6
151.07460	0.9
152.69270	0.3
153.01828	1.8
155.08557	0.4
161.05943	2.1
163.03867	0.3
163.07509	0.9
165.01801	0.3
165.06964	0.7
165.09091	0.4
169.06448	0.5
176.99004	0.6
177.05534	0.4
179.03363	0.5
179.06964	0.5
181.06441	0.4
183.08049	0.7
189.05423	2.0
189.09042	0.5
189.16241	0.4
193.08485	0.4
197.05927	0.4
197.09491	0.4
203.03348	0.6
211.07471	0.7
217.04956	11.7
218.05231	0.9
226.06262	0.4
229.04910	0.6
231.02838	0.5
238.01587	0.3
238.06357	0.3
239.06914	0.5
243.06464	0.5
243.10301	0.3
245.04454	21.5
246.04805	1.2
256.07303	0.4
257.04538	0.4
270.05215	0.5
271.06030	0.5
271.09573	0.4
273.03918	24.7
274.04297	1.5
285.10956	0.6
287.05545	0.9
288.06216	0.8
290.16113	0.4
299.05560	0.9
300.02643	1.0
301.03406	54.0
302.03723	3.1
313.10580	1.0
313.14029	0.5
315.04959	5.1
316.05750	62.0
317.06137	4.2
331.08099	100.0
331.11493	5.0
332.08414	6.9
332.12204	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0811
Annotation	3,8-Dimethylherbacetin
Peak:m/z	Relative Intensity
65.03937	0.9
67.05502	0.3
68.99818	0.3
69.03418	0.4
69.77312	1.2
69.96193	0.2
71.29389	0.2
81.07063	0.4
89.95282	0.2
92.02613	1.8
93.03403	1.5
93.07063	0.3
95.04939	0.3
98.23285	0.2
98.98466	0.8
101.02354	0.2
103.05508	0.3
107.04958	0.3
121.02880	2.0
121.06520	0.3
121.17619	0.2
122.03665	0.4
123.04414	0.3
125.02412	0.3
137.02324	0.3
137.06006	0.6
138.03183	0.3
139.03778	0.2
140.04691	2.4
145.06496	0.2
148.05199	0.3
150.03131	0.2
151.03906	2.3
153.01830	1.0
153.05479	0.8
161.05992	0.4
163.03929	0.6
165.05499	0.3
166.02660	0.5
167.03406	23.7
168.03801	0.7
169.06459	0.3
177.05470	0.5
179.03333	1.3
180.04208	0.4
189.05443	0.3
193.04912	0.4
195.08121	0.3
197.06042	0.6
200.04654	0.3
203.06998	0.5
213.05421	0.4
214.06250	1.0
215.07034	1.2
216.57558	0.2
217.04926	1.3
231.06497	3.4
232.07198	1.5
233.04425	0.7
241.05098	1.3
242.05704	2.9
243.06535	5.0
244.07010	0.4
245.04517	1.6
246.05063	0.3
253.04819	0.4
254.17093	0.2
259.06000	4.7
259.08536	0.4
260.06812	2.9
270.05118	0.6
271.06006	3.2
274.04745	0.4
275.09213	0.5
285.07648	0.5
287.05521	4.1
288.06274	6.1
289.06784	0.3
298.04718	0.7
299.05505	5.2
300.05878	0.7
301.03531	0.3
302.07993	0.5
313.07257	0.3
315.04944	0.4
316.05777	22.8
317.06052	1.9
331.08118	100.0
332.08472	7.8
332.11572	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0813
Annotation	Dillenetin
Peak:m/z	Relative Intensity
51.82488	0.1
51.99949	0.2
53.03940	0.2
55.01839	0.5
55.05494	0.3
65.03942	0.2
67.05510	0.3
68.99778	0.5
69.03392	0.3
69.18441	1.5
79.05489	1.2
81.03395	0.2
81.07056	1.0
83.08606	0.2
90.67057	0.2
91.05488	1.6
93.03360	0.2
93.07002	0.8
94.04157	0.3
95.04937	0.5
95.08582	0.3
98.98463	2.7
103.05485	2.9
105.03372	0.4
105.07018	1.4
107.04913	0.8
107.08559	0.3
109.02826	0.6
109.06491	0.6
109.10130	0.2
111.00750	0.4
111.04410	0.2
115.05418	1.0
117.03365	0.2
117.06982	0.6
119.04903	0.7
119.08546	0.3
121.02871	1.0
121.06516	1.1
121.10061	0.2
122.03580	0.5
123.04451	1.4
123.08030	0.2
123.11743	0.3
128.06259	0.9
129.07019	0.4
131.04970	1.5
131.08511	0.3
133.02841	0.2
133.06474	1.2
133.10094	0.3
134.03586	0.3
135.04355	0.5
135.08017	0.4
136.05064	0.2
137.02362	1.8
137.05978	6.9
138.06746	0.3
139.02888	0.4
139.03906	6.8
139.07486	0.2
141.06956	0.2
143.04904	0.2
143.08551	1.2
145.06442	0.8
146.03622	1.6
146.07109	0.2
147.04366	0.6
147.07915	0.2
147.11755	0.2
148.05199	0.8
149.05984	2.0
151.03914	1.1
151.06398	0.3
151.07552	3.5
153.01826	5.9
153.05505	0.2
153.06949	0.4
157.06441	0.5
159.08018	0.2
161.05978	6.0
161.09642	0.6
162.03094	0.5
162.06407	0.2
163.03926	1.1
163.07545	3.4
164.04657	0.2
164.08356	0.8
165.01830	2.6
165.05446	2.4
165.06929	0.5
165.09085	1.8
166.02628	0.2
167.03375	0.7
167.06984	0.3
167.08508	0.2
168.05710	0.4
171.04364	0.2
171.08070	0.9
173.05928	0.2
174.06799	0.2
175.03816	0.2
175.07541	0.3
177.05495	0.4
177.09081	0.4
179.03462	0.4
179.07005	0.5
179.08417	0.2
181.01300	0.2
181.05035	0.3
181.06488	0.3
183.02863	0.8
183.08047	0.2
185.05916	0.2
189.05482	0.3
189.07484	0.3
189.09111	4.4
189.10812	0.3
190.09525	0.2
191.07011	1.1
194.02084	1.3
195.02754	0.2
196.05188	0.4
197.05983	0.5
198.06616	0.3
199.03918	0.3
200.04669	0.2
201.05252	0.3
201.09056	0.3
203.03377	0.2
207.06468	0.4
207.10114	0.7
209.00778	0.5
210.06677	0.3
211.07426	0.5
212.04823	0.2
213.05431	1.6
214.06155	0.2
215.07001	0.3
217.04915	0.4
217.15500	0.2
224.08249	0.2
225.08943	0.4
227.07013	0.4
228.04103	0.3
228.07648	0.2
229.04967	1.0
230.05711	1.2
231.06451	0.7
235.07436	0.5
235.11166	0.3
238.06235	0.3
239.07082	0.4
239.10640	0.3
241.04938	1.6
241.08539	0.3
242.05765	1.4
243.06467	0.8
243.10130	0.3
244.15959	0.2
245.04398	0.5
253.08669	0.5
256.03738	0.4
256.07318	0.4
257.00650	0.2
257.04456	0.5
257.07932	0.3
258.05185	0.8
259.06018	1.0
267.10205	0.5
269.04456	3.3
269.07529	0.3
270.05179	2.4
271.02640	0.3
271.05975	3.3
272.06815	0.5
273.03879	0.6
275.09113	0.5
277.21686	0.3
281.04449	0.2
285.00696	0.3
285.03958	0.8
285.11182	1.7
286.04865	0.6
287.05505	13.9
288.03168	0.2
288.06006	1.3
289.10876	0.2
297.03970	2.4
298.04678	4.0
299.05533	4.1
299.08862	0.2
300.02621	1.3
300.06174	1.9
300.99774	0.6
301.03363	1.4
302.04193	1.4
302.07547	0.3
313.03455	0.4
313.06860	0.2
313.11142	0.2
313.14328	1.1
315.04974	31.1
316.02145	0.7
316.05606	6.9
331.04712	4.0
331.08109	100.0
331.11481	4.0
332.05069	0.3
332.08475	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	331.081
Annotation	Dillenetin
Peak:m/z	Relative Intensity
50.01593	0.1
50.42878	0.2
51.22202	0.1
53.03940	0.2
55.01867	0.6
55.05500	0.2
57.03428	0.2
62.48761	0.1
65.03931	0.5
66.04702	0.1
67.05495	0.6
68.99786	0.5
69.03415	0.4
69.07059	0.3
69.08067	1.4
71.04980	0.2
73.95016	0.1
78.04688	0.1
79.05499	1.2
80.05832	0.1
81.03422	0.4
81.07046	0.9
83.01335	0.4
83.04967	0.2
85.02921	0.2
89.15752	0.1
91.05473	1.9
92.02626	0.9
92.05786	0.2
92.06767	0.1
93.03405	1.0
93.06487	0.1
93.07031	0.6
94.04191	0.3
95.04978	0.9
95.08593	0.5
95.85207	0.1
97.02876	0.2
98.98466	2.8
103.05466	3.2
105.03377	0.4
105.07018	1.8
107.04951	1.1
107.08601	0.4
109.02876	0.3
109.06499	0.5
109.10159	0.2
111.04453	0.2
115.05460	0.9
117.07021	0.6
118.07314	0.1
119.04908	0.9
119.08601	0.4
120.02055	0.2
121.02881	1.2
121.06518	1.1
121.10088	0.3
122.03651	0.6
123.04409	1.3
123.08053	0.2
123.11709	0.3
125.02362	0.3
126.03123	0.2
128.06212	1.5
129.07043	0.3
131.04936	1.8
133.02815	0.3
133.06468	1.2
133.10135	0.2
134.03639	0.3
135.00613	0.2
135.04384	0.6
135.08032	0.5
136.05170	0.2
137.02350	1.1
137.05972	6.7
138.03137	0.2
138.06680	0.3
139.03899	3.1
139.07516	0.2
140.04707	1.2
141.07007	0.4
143.04979	0.3
143.08556	1.3
145.06519	0.8
145.10072	0.2
146.03592	0.7
146.07242	0.2
147.04427	0.9
147.07968	0.6
147.11710	0.2
148.05214	1.1
149.02373	0.2
149.05971	1.6
151.03929	2.2
151.05031	0.3
151.07539	2.8
152.06181	0.3
153.01825	3.7
153.03038	0.2
153.05472	0.6
153.06964	0.5
155.05948	0.2
155.08508	0.2
157.06468	0.6
160.05150	0.2
161.02260	0.3
161.05972	5.7
161.09566	1.0
162.03110	0.4
162.06427	0.2
163.03937	0.7
163.07542	3.3
164.08345	1.0
165.01823	1.7
165.05464	1.3
165.06985	0.7
165.09120	1.5
166.02580	0.4
167.03392	11.5
167.07040	0.4
167.08420	0.3
168.03716	0.6
168.05681	0.5
169.06479	0.6
169.09901	0.2
170.64941	0.1
171.08043	1.0
173.05954	0.1
174.06847	0.4
175.07556	0.4
176.04735	0.2
176.98938	0.2
177.05489	0.5
177.09166	0.3
179.03426	1.3
179.07011	0.7
179.08424	0.3
180.04120	0.3
181.04976	0.3
181.06480	0.4
182.07257	0.3
183.02965	0.8
183.08076	0.3
184.05211	0.3
185.06003	0.6
186.03183	0.2
187.03914	0.2
187.07529	0.2
189.05510	0.3
189.09084	4.3
190.06134	0.2
191.07037	0.5
193.04942	0.3
194.02144	0.6
195.02777	0.2
195.08064	0.3
196.05159	0.4
197.04472	0.2
197.05936	0.8
197.09557	0.2
198.06786	0.3
199.07512	0.3
200.04674	0.4
201.05461	0.2
203.06944	0.2
203.10590	0.2
207.06361	0.3
207.10152	0.9
209.05904	0.4
210.06732	0.5
211.07608	0.7
212.08002	0.2
213.05441	1.2
214.06297	0.7
215.07021	0.9
217.04950	1.0
225.05458	0.4
225.09099	0.4
226.06212	0.3
227.06998	0.3
228.04160	0.2
228.07739	0.4
229.04962	0.6
229.08437	0.2
230.05731	0.7
231.06502	2.0
232.07236	0.8
233.04372	0.3
235.07596	0.4
235.11108	0.2
238.06226	0.2
239.06934	0.4
239.10706	0.2
240.07703	0.2
241.04945	1.5
241.08588	0.2
242.05766	1.9
243.06494	2.8
244.06989	0.3
245.04436	1.0
251.07022	0.2
252.07829	0.3
253.08586	0.4
255.06534	0.3
255.10085	0.2
256.03583	0.2
256.07498	0.3
257.00775	0.2
257.04428	0.4
257.08044	0.4
258.05157	0.7
259.05972	2.7
260.06754	1.9
261.07184	0.2
267.10132	0.3
267.12924	0.2
269.04489	2.1
269.07532	0.2
270.05240	1.5
271.02768	0.2
271.05960	3.2
271.09592	0.4
272.06628	0.5
272.10568	0.2
273.03946	0.5
273.07291	0.2
275.09229	0.4
277.21570	0.4
281.04514	0.2
285.00964	0.2
285.03995	0.6
285.07727	0.5
285.11227	1.9
286.04697	0.5
287.05487	9.9
288.06201	4.2
289.06598	0.2
295.13306	0.2
297.03931	1.4
298.04697	2.9
299.05475	5.2
299.08633	0.2
300.02643	0.9
300.06146	1.2
301.00180	0.3
301.03418	1.0
302.04141	0.9
302.07813	0.4
313.03625	0.2
313.07144	0.3
313.10767	0.3
313.14301	1.3
315.04965	17.8
316.05713	14.4
317.05969	0.9
331.08093	100.0
331.11444	4.2
332.04510	0.4
332.08466	7.5
332.11996	0.4
348.83801	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0811
Annotation	Dillenetin
Peak:m/z	Relative Intensity
52.83968	0.1
53.03914	0.3
54.24656	0.2
55.01818	0.7
55.02065	0.2
55.05481	0.3
65.03906	0.3
67.05448	0.5
68.99741	0.8
69.00060	0.2
69.07042	0.2
71.19695	0.2
77.03919	0.2
79.05495	1.4
81.03386	0.3
81.07058	1.1
83.04929	0.3
83.08588	0.2
85.02857	0.2
87.08119	0.2
90.59534	0.2
91.05487	2.0
93.03372	0.2
93.06996	0.7
94.04116	0.2
95.04902	0.7
95.08543	0.6
98.98479	2.3
103.05476	3.4
105.03372	0.4
105.07031	1.5
107.04958	1.3
107.08531	0.4
109.02807	0.4
109.06493	0.5
109.10131	0.2
111.00732	0.7
111.04351	0.3
111.07963	0.2
115.05422	1.3
117.06934	0.6
118.04118	0.3
119.04936	1.0
119.08559	0.4
120.02053	0.2
121.02884	1.3
121.06506	1.0
121.10114	0.3
122.03580	0.6
123.04442	1.4
123.08064	0.2
123.11678	0.3
124.05199	0.2
128.06215	1.1
129.06955	0.4
131.04939	1.8
131.08556	0.4
132.84387	0.2
133.02820	0.3
133.06500	1.5
133.10071	0.3
134.03610	0.3
135.04390	0.9
135.08011	0.3
137.02348	2.3
137.05981	6.8
138.06657	0.5
139.03902	5.6
139.07520	0.2
140.04504	0.2
140.06172	0.2
141.06947	0.4
143.04874	0.3
143.08591	1.0
145.06493	0.8
145.10115	0.2
146.03625	1.4
146.07225	0.2
147.04440	0.9
147.07980	0.3
148.01509	0.3
148.05077	0.7
149.02330	0.3
149.06021	1.3
151.03946	0.9
151.06548	0.2
151.07553	2.7
153.01826	7.1
153.05370	0.3
153.06972	0.4
157.06435	0.6
159.08028	0.2
161.05983	5.3
161.09535	0.7
162.03052	0.5
162.06177	0.3
163.03912	1.0
163.07545	3.4
164.08255	0.8
165.01831	2.5
165.05406	2.4
165.06902	0.6
165.09117	2.2
166.02472	0.3
167.03368	0.4
167.06964	0.5
168.05647	0.6
169.06401	0.3
171.04305	0.3
171.08018	0.9
174.06696	0.2
175.07466	0.3
176.04720	0.2
176.98973	0.3
177.05386	0.5
177.09131	0.3
179.03336	0.4
179.06972	0.7
179.08514	0.4
181.04948	0.4
181.06419	0.6
183.02896	0.9
183.08057	0.4
185.05904	0.6
189.09105	4.1
190.09398	0.2
191.07027	1.1
194.02080	1.3
195.02663	0.2
195.07985	0.3
196.05164	0.4
196.08725	0.3
197.05939	0.9
198.06647	0.3
199.03891	0.3
199.07487	0.2
200.04749	0.3
201.05397	0.4
207.10144	0.6
209.00714	0.3
210.06686	0.5
211.07500	0.6
212.08176	0.2
213.05438	1.6
214.06018	0.4
215.06955	0.3
217.04977	0.3
221.05844	0.2
224.08224	0.4
225.05420	0.3
225.09030	0.5
226.06197	0.3
227.06955	0.4
228.04143	0.5
228.07744	0.3
229.04968	1.3
230.05731	1.2
231.06523	0.6
235.07491	0.3
239.06934	0.4
241.04979	1.6
242.05762	1.6
243.06487	0.9
243.10132	0.3
245.04433	0.6
247.05939	0.3
252.07970	0.3
253.04939	0.3
253.08578	0.5
255.06473	0.2
256.03610	0.4
256.07367	0.3
257.00797	0.3
257.04602	0.5
257.08063	0.4
258.05212	1.0
259.06064	1.1
263.10629	0.2
267.10202	0.5
269.04453	3.9
269.07388	0.3
270.05270	2.2
270.08273	0.3
271.02728	0.4
271.05981	3.8
271.09048	0.4
272.06723	0.7
272.10370	0.4
273.00211	0.3
273.03958	0.6
275.09268	0.5
277.21732	0.3
285.00537	0.4
285.03903	1.0
285.06824	0.3
285.08035	0.3
285.11188	2.0
286.04718	0.9
287.05505	16.4
288.05966	1.7
295.13092	0.3
297.03955	3.2
298.04721	4.3
299.05481	5.1
300.02600	1.2
300.06171	2.1
300.99759	0.6
301.03351	1.6
302.04218	1.4
302.07684	0.4
313.03406	0.3
313.10889	0.4
313.14304	1.0
315.04980	36.4
316.02148	0.8
316.05606	6.5
317.06042	0.2
331.04736	3.9
331.08118	100.0
331.11478	3.9
332.04956	0.3
332.08466	6.7
332.11874	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.081
Annotation	Apometzgerin
Peak:m/z	Relative Intensity
53.03926	0.2
55.01867	0.2
55.05491	0.3
57.03415	0.1
65.03931	0.8
67.01867	0.1
67.05490	0.5
68.99812	0.1
69.03416	0.3
69.07059	0.4
71.04959	0.1
71.31887	0.2
79.05478	0.6
81.07055	1.1
85.06540	0.2
88.31310	0.1
91.05470	1.2
92.02618	2.5
93.03399	2.1
93.07021	0.4
94.04214	0.3
95.01327	0.2
95.04958	0.5
95.08588	0.4
96.16348	0.1
97.02861	0.1
97.06534	0.3
98.98462	5.7
103.05460	0.9
105.07034	0.7
107.04929	0.3
107.08601	0.4
109.02889	0.3
109.06470	0.3
109.10110	0.2
111.04439	0.7
115.05470	0.2
117.03390	0.2
117.07001	0.2
119.04921	0.5
119.08580	0.3
120.02035	0.2
121.02857	2.0
121.06472	0.5
121.10141	0.3
122.03640	0.5
123.04414	0.8
123.11674	0.5
125.02326	0.5
125.05986	0.3
128.06197	0.2
129.06981	0.2
131.04910	0.4
131.08545	0.2
133.06465	0.4
133.10130	0.3
135.04407	0.3
135.08029	0.2
137.02336	0.4
137.05957	1.8
138.03067	0.3
138.06352	0.1
139.03877	0.2
140.04674	2.5
141.07068	0.2
143.08542	0.3
145.02837	0.2
145.06454	0.2
145.10110	0.3
147.04410	1.4
147.11687	0.2
148.05148	0.2
149.02312	0.3
149.05946	0.4
149.09726	0.1
150.03120	0.2
151.03902	3.0
151.04974	0.2
151.07510	0.9
152.04327	0.1
152.06178	0.2
153.05441	0.8
153.06987	0.4
155.04926	0.2
155.41954	0.1
157.06462	0.3
159.08090	0.2
161.05960	1.0
161.09590	0.2
163.03897	0.6
163.07545	0.4
165.05545	0.2
165.06987	0.5
165.09154	0.2
166.02554	0.3
166.12183	0.2
167.03389	23.3
168.03772	0.8
168.05661	0.2
169.06477	0.3
173.05984	0.1
174.99156	0.1
175.07550	0.2
176.98933	0.4
177.05470	0.9
177.06737	0.2
177.08977	0.2
179.03389	1.6
179.07031	1.2
180.04190	0.5
181.04938	0.6
181.06516	0.3
182.07236	0.2
183.04419	0.3
183.08061	0.5
184.03674	0.3
184.05217	0.2
185.06035	0.3
187.07526	0.4
189.05418	0.3
189.09096	0.5
190.02547	0.1
192.04227	0.2
193.04956	0.6
193.06671	0.1
194.02466	0.1
195.08090	0.2
196.05174	0.2
197.04469	0.4
197.05986	0.4
198.06828	0.3
199.03906	0.2
199.07564	0.2
199.83000	0.1
200.04726	0.6
201.05408	0.2
203.07004	0.5
204.07823	0.3
205.04951	0.2
206.05721	0.2
207.06459	0.3
209.05991	0.2
210.06683	0.4
211.07559	0.5
212.04655	0.2
213.05469	0.8
213.08987	0.2
213.16254	0.1
214.06271	0.7
215.07014	1.7
217.04941	2.8
217.08307	0.2
218.05751	0.3
225.05469	0.2
225.09100	0.4
226.06241	0.2
227.03400	0.9
227.06993	0.3
228.04118	0.4
228.07687	0.2
229.04959	0.2
231.06514	4.9
232.07268	1.7
233.04358	0.8
238.06268	0.2
239.06966	0.3
240.07907	0.2
241.04854	0.3
242.05731	3.6
243.06499	5.0
243.10182	0.2
244.06985	0.4
245.04463	2.0
246.05202	0.2
253.08536	0.2
255.02878	0.1
256.03629	0.3
257.04459	0.3
257.08078	0.7
259.06021	5.1
260.06775	3.6
260.08875	0.1
267.06625	0.3
269.08179	0.2
270.05212	0.4
271.06000	3.0
271.09082	0.2
273.03888	0.9
274.04605	0.8
275.09094	0.5
281.08240	0.2
284.03107	0.2
285.07452	0.6
285.11597	0.2
287.05457	4.5
287.08624	0.3
288.06256	7.9
289.06656	0.4
297.07593	0.6
298.04654	0.9
299.02066	0.3
299.05496	4.3
300.05869	0.4
301.03513	0.4
302.07858	0.4
313.07199	0.2
313.10675	0.9
313.14120	0.3
315.04996	0.6
316.05753	26.7
317.06030	1.8
331.08084	100.0
331.11392	4.3
332.08432	6.6
332.11917	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.102
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
54.57647	1.3
55.01860	2.9
57.03434	1.8
64.26909	1.1
66.92035	1.1
67.01878	1.3
69.03432	1.3
69.78106	1.1
69.88464	3.6
70.06607	1.2
70.65086	1.0
75.07825	1.0
79.05507	2.5
81.03407	1.9
81.81259	1.3
85.02892	9.2
91.04922	1.1
91.05477	4.5
91.83035	1.1
95.04931	1.9
97.02851	1.5
98.22636	1.4
98.98462	100.0
100.98862	2.8
103.03935	2.7
105.07006	2.1
107.04929	1.6
108.08123	1.7
109.02881	5.2
116.99483	1.9
119.04944	3.0
121.02865	3.6
121.06467	1.5
123.04419	5.4
127.03905	3.1
131.08591	1.7
132.08829	1.3
133.06441	1.7
135.04364	2.2
137.05960	8.1
139.03908	3.6
142.83151	1.2
145.06401	1.6
147.04430	7.8
151.03911	12.8
151.07504	1.7
152.07127	1.2
161.05963	3.0
163.03918	8.5
165.05469	7.7
165.06757	1.3
169.04932	11.5
169.08618	1.5
174.99193	3.1
175.03908	3.5
176.04800	1.6
176.98953	5.7
177.05482	1.2
179.03387	11.1
181.04953	22.9
185.05878	1.6
187.03889	3.9
189.01810	1.5
189.05463	4.4
193.04958	36.1
194.05302	2.7
205.04924	4.3
207.02974	1.6
207.06512	11.9
211.05998	26.6
217.04948	1.5
229.04930	5.9
231.06531	2.1
235.06010	26.5
236.06294	2.4
241.04996	3.1
247.06020	30.9
248.06319	2.5
259.05991	16.1
260.06467	1.2
265.07083	3.4
277.07059	8.9
295.08157	4.1
331.11832	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.1
54.80286	2.4
55.01871	6.6
55.05512	4.2
56.80279	2.4
56.96569	2.9
57.03429	2.6
67.01876	2.4
67.05508	5.1
68.99815	3.3
69.03424	13.0
70.06596	10.1
71.31158	3.9
73.02916	3.6
79.05502	7.4
81.03423	6.2
81.07069	4.6
83.04939	3.0
85.02905	29.2
86.09735	2.8
91.05491	7.3
93.07057	3.4
95.04995	4.9
97.02897	8.5
98.98471	100.0
103.05482	4.8
104.80772	2.3
105.03407	3.0
105.07018	14.8
107.04953	2.9
108.08118	9.8
109.02886	8.4
111.04430	3.6
115.05463	4.4
116.98573	2.3
118.04167	3.7
119.04939	3.2
121.02888	10.1
122.03658	2.8
123.04420	9.1
124.07634	2.7
125.06014	34.9
127.03931	8.6
131.04916	9.4
132.05734	3.5
133.06483	11.4
135.04437	3.1
137.05971	26.9
145.04944	3.1
147.04419	10.2
150.01349	2.6
151.03906	15.1
151.07568	13.1
151.08617	2.5
151.11139	2.9
152.07092	5.1
153.01775	2.8
155.07021	6.3
161.05997	13.2
163.03905	11.9
165.03708	4.2
165.05466	7.7
165.06970	3.1
167.07014	4.3
169.04959	13.3
169.08597	99.6
170.08942	4.3
170.11745	5.4
174.30486	2.6
174.99213	4.9
175.03973	6.1
175.07506	3.1
175.11913	3.4
176.04729	5.5
176.08270	2.6
176.98932	6.7
179.03409	4.8
179.07033	2.8
181.04941	28.4
187.03856	3.2
189.05489	6.6
191.07042	13.5
192.07689	5.2
193.03311	3.6
193.04953	43.1
193.08563	3.4
205.04962	3.9
207.06456	12.0
211.06000	24.7
219.06503	3.2
223.04193	2.8
229.05095	6.3
235.05986	33.0
237.02870	2.5
241.04973	4.3
247.06033	33.5
259.06061	17.5
265.07092	3.0
271.09885	2.8
277.07050	7.2
313.06894	3.4
313.10086	3.0
314.12466	4.1
331.10034	9.9
331.13422	7.0
332.13513	5.4
342.59171	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	4.1
56.96563	6.0
61.02909	3.6
69.03423	7.7
70.06570	7.4
71.05003	3.4
71.32001	3.9
81.03400	4.0
84.08119	3.0
85.02898	18.2
91.05471	4.1
93.07028	2.7
95.04943	3.9
97.02890	4.8
98.97602	7.7
98.98460	100.0
100.39852	2.4
100.98840	3.2
103.05487	3.1
105.07047	8.7
108.08104	11.4
109.02855	3.4
110.97543	4.7
111.04400	2.7
111.47504	2.9
119.04932	2.9
121.02880	3.3
123.04420	11.0
123.08047	2.6
123.09167	4.8
125.05961	17.4
127.03910	3.9
131.04895	3.0
133.06451	2.7
134.05975	3.3
137.05991	14.0
139.09663	2.3
147.04411	4.9
149.05949	3.6
151.03902	9.4
151.07526	5.0
151.08623	5.0
151.11118	2.8
152.07077	6.7
155.07051	2.8
161.05945	3.8
163.03912	6.9
165.05496	2.9
169.04956	8.6
169.08554	48.4
169.09775	5.3
175.03912	4.7
176.98990	5.4
177.05441	3.8
179.06950	3.5
181.04988	11.6
189.05406	3.8
191.07022	5.4
193.04984	24.0
207.04636	3.4
207.06544	9.3
211.05975	13.9
219.01724	5.0
229.04979	4.9
235.05986	19.1
237.02821	7.8
247.05940	16.8
253.04961	9.7
259.06003	9.9
279.07642	5.2
281.04388	10.0
313.06995	21.0
314.12256	5.8
331.11008	14.5
332.13388	5.9
332.20160	2.9
349.11560	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1174
Annotation	2'-Hydroxymatteucinol
Peak:m/z	Relative Intensity
53.03945	0.7
53.99772	0.7
55.01854	1.2
55.98169	0.7
59.45950	0.7
60.91054	0.7
65.03935	2.5
67.05479	2.0
69.07060	0.9
69.19322	1.1
69.19731	4.4
73.95424	0.6
79.05474	1.6
81.07060	4.0
91.05476	40.9
92.05799	1.0
93.03391	1.5
93.07049	1.8
95.04955	2.8
95.08583	1.9
97.10207	0.7
98.98460	13.9
103.05457	4.4
105.07003	2.8
107.04943	2.6
107.50246	0.6
109.02889	1.0
109.10181	0.9
110.03671	0.8
111.04420	1.9
115.05469	0.7
118.04144	1.3
119.04942	36.4
119.08575	1.0
120.05229	1.0
121.06505	0.7
121.10088	1.3
123.04414	1.9
123.08058	1.2
123.11716	1.6
125.05973	10.8
131.04907	1.4
132.35164	0.8
133.06479	7.4
133.10132	1.0
135.04468	0.8
135.11656	1.0
136.05219	3.6
137.05981	10.3
141.06931	0.9
143.08545	1.3
147.04401	75.4
148.04814	2.1
149.06007	3.3
151.02643	1.4
151.03908	27.2
151.04993	3.7
151.07535	30.6
152.06178	1.1
152.07919	0.9
153.06938	1.1
157.06418	0.7
161.05946	6.0
163.03903	2.5
163.07574	2.1
164.04694	8.4
164.08351	1.1
165.05527	1.3
165.06984	3.7
168.05618	0.8
169.06444	0.9
171.08015	0.7
176.98933	1.1
177.05408	0.8
177.09082	0.7
179.07024	100.0
180.07338	4.6
181.04980	0.7
181.06493	2.2
182.07246	2.6
183.08052	1.8
185.06097	1.3
189.05449	2.3
189.09103	2.3
191.07080	0.8
192.16615	0.7
193.06468	1.8
193.08432	0.9
195.08006	0.9
197.05959	1.5
197.09619	1.8
207.06499	19.2
208.06822	1.3
209.06041	1.3
209.07948	0.8
210.06841	3.4
211.07457	2.4
213.05507	1.4
213.08952	0.7
215.06949	0.7
221.06065	1.0
225.05531	1.2
225.09178	3.4
227.07045	1.9
228.07603	0.8
235.07645	0.7
238.06236	1.7
239.07088	0.8
239.10555	0.6
243.10287	0.8
244.42006	0.7
245.13760	1.2
253.08586	7.2
255.06462	2.1
256.07104	1.1
257.11737	2.5
270.08710	1.7
271.09680	1.5
281.08130	4.0
285.11438	3.6
298.08331	1.1
303.12308	1.1
313.10617	6.4
313.14160	1.3
313.17941	0.9
331.04605	1.3
331.08182	3.3
331.11719	38.7
331.15042	1.5
331.19162	2.3
331.26044	1.1
332.12103	2.3
332.48441	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1175
Annotation	Angulifolin C
Peak:m/z	Relative Intensity
50.67713	0.5
55.01875	0.5
55.05495	0.7
65.03929	0.8
66.12231	0.6
67.05505	1.4
68.99818	0.5
69.07066	1.6
71.33868	0.5
71.34293	0.5
73.72726	0.5
76.58008	0.6
77.03958	0.7
79.05494	1.5
81.07034	1.5
83.08621	0.8
85.02896	0.6
91.05479	4.0
91.79953	0.6
93.07030	1.1
94.04182	0.7
95.04976	1.1
95.08617	0.9
98.98466	38.4
100.98881	0.9
103.05454	1.4
105.07044	1.8
107.04947	1.7
107.08578	1.0
108.05617	0.5
109.10168	0.9
111.04448	0.9
115.05458	0.9
115.92607	0.6
117.07020	0.8
119.04948	1.7
121.06514	1.2
122.03664	0.7
123.04428	2.3
123.08062	0.8
123.11717	1.8
125.05968	0.7
128.06215	0.9
129.06999	1.8
131.04944	1.2
131.08600	0.8
133.02812	0.8
133.06477	1.0
133.10106	0.7
136.05103	0.6
137.05994	7.6
141.06946	1.7
144.05710	10.5
144.42873	0.6
145.06456	0.9
145.10118	1.7
147.04416	1.3
149.05992	3.0
151.03937	6.0
151.05013	1.0
151.07550	2.8
151.11113	0.7
152.06226	1.6
153.05470	0.7
153.06970	2.9
154.07779	0.7
155.04921	7.8
155.06093	1.1
155.08562	0.7
156.05563	0.7
157.06496	1.7
159.08029	4.0
161.06030	1.3
163.03902	0.9
163.07527	0.9
165.05698	1.0
165.06947	3.9
167.07047	1.7
167.08508	1.0
168.05702	2.1
169.06448	1.9
170.07304	1.0
171.08029	0.7
172.05243	1.9
174.99205	1.3
176.98822	3.3
177.05455	1.6
179.03430	0.9
179.07076	5.5
181.06459	2.4
182.07243	2.0
183.04416	32.7
183.07948	3.2
184.05078	4.2
185.05969	2.1
185.09450	0.6
187.07527	18.0
188.07854	0.7
189.05518	0.7
193.06456	1.0
195.04401	1.1
195.08044	1.2
196.05161	1.3
197.06061	2.8
198.06760	1.5
199.07509	1.5
200.04675	8.1
207.04581	0.9
207.06487	6.6
209.05977	1.4
210.06679	2.4
211.07539	4.2
212.08354	0.7
213.05495	2.4
213.09096	0.9
214.06139	1.4
215.07019	100.0
216.07358	4.2
221.05928	1.4
222.06569	0.6
223.07590	0.8
225.05444	1.2
225.09138	1.8
226.06311	0.9
227.07022	2.5
227.10539	0.6
228.07773	1.4
230.05774	0.6
232.07266	3.2
238.06201	2.1
239.06969	1.7
240.07660	0.7
241.04866	1.1
241.08495	0.9
242.05518	0.9
242.09360	0.7
243.10164	1.2
245.04500	0.8
247.09642	82.2
248.10051	3.8
251.06969	0.6
253.08664	1.1
254.09392	0.7
255.06461	0.9
255.10194	1.2
256.07278	2.1
257.08105	1.5
266.05859	0.7
267.06680	0.9
269.07956	0.7
270.08932	0.6
271.09671	4.4
272.10248	0.9
273.07501	0.7
285.11249	0.7
287.12894	0.8
288.06244	1.5
288.09753	1.4
289.10684	42.6
290.11035	2.4
299.09113	3.9
303.12216	1.8
313.10562	2.6
316.05756	4.1
316.09039	1.0
331.04568	0.9
331.08075	6.4
331.11700	39.5
331.14963	1.4
332.08688	0.6
332.12085	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1175
Annotation	2'-Hydroxymatteucinol
Peak:m/z	Relative Intensity
53.03936	3.2
53.45918	0.8
55.01863	2.1
55.05521	2.3
65.03940	1.4
67.05508	5.9
69.03438	1.0
69.07069	2.3
69.16518	0.8
71.04987	1.8
71.12762	1.6
73.00992	0.8
75.12051	1.0
79.05482	6.9
81.03416	1.1
81.07050	8.7
83.04961	1.2
83.08597	1.0
85.02916	0.9
85.06535	1.5
91.05479	11.3
93.07047	4.6
94.04199	2.5
95.04961	4.4
95.08601	5.2
97.06565	1.1
97.10150	1.0
98.98459	15.8
102.04720	1.1
102.34516	1.0
103.05467	55.8
104.05773	1.3
105.03387	1.1
105.04535	1.1
105.07037	11.7
107.04946	8.4
107.08602	2.5
109.06509	4.2
109.10151	1.2
115.05446	4.5
117.07029	2.4
118.43289	0.9
119.04965	4.0
119.08598	2.6
120.05755	1.2
121.06505	5.5
121.10144	2.4
122.03626	5.9
123.04442	4.9
123.08080	1.3
123.11702	1.9
125.06010	1.4
128.06245	5.0
130.04175	1.6
131.04926	29.5
131.08597	1.7
133.06488	5.6
133.10133	1.2
135.04398	3.9
135.08070	10.4
135.11665	1.8
137.05971	46.0
138.06262	1.3
143.08575	4.8
144.05643	1.3
145.06496	3.0
145.10118	0.9
146.03633	2.3
147.04407	4.3
147.08047	2.0
148.05190	19.6
149.05986	7.7
151.03925	4.1
151.05035	1.3
151.07550	11.1
152.06219	1.3
153.01813	1.2
153.05524	1.3
153.06969	2.0
154.07613	0.9
155.08569	1.2
157.06505	2.1
161.05977	26.3
161.09630	2.2
163.03918	4.2
163.07533	26.9
164.08321	7.4
165.05678	1.1
165.06944	4.6
165.09134	7.0
166.02692	1.6
166.07788	0.9
167.03485	4.5
167.07088	1.4
167.08542	1.8
169.06464	1.0
169.12344	0.9
171.08054	4.1
172.77045	1.0
174.06775	1.4
175.03934	2.5
177.05508	2.8
177.09081	0.9
179.03380	1.7
179.07028	3.8
179.08514	0.9
181.04971	12.7
181.06508	4.1
182.07312	4.0
183.02957	1.0
183.08060	2.0
184.05165	0.9
185.06001	1.4
189.05463	10.2
189.09094	16.8
191.03377	3.1
192.04167	41.3
193.04787	1.4
193.06528	2.1
195.08038	4.6
197.05933	2.5
197.09653	1.3
199.07530	2.1
199.10847	0.9
207.06477	16.9
207.10236	3.1
209.05928	2.3
210.06778	5.4
211.07538	4.7
212.08214	1.0
213.05486	2.4
214.06253	0.9
216.01198	0.8
220.05280	0.9
221.05997	3.3
223.07597	1.9
224.04823	1.0
224.08334	2.8
225.09132	6.9
227.07050	5.0
228.07745	1.2
229.59914	0.9
235.07565	2.5
237.09195	1.2
238.06194	2.9
239.07008	1.9
241.05116	1.6
241.08527	1.4
242.09424	1.9
243.06670	1.4
245.04585	1.4
247.09706	2.9
251.03340	0.9
251.07082	1.0
252.07782	2.0
253.08548	8.1
254.09358	1.3
255.06592	3.9
255.10179	1.7
256.07199	1.8
259.20602	1.5
266.05884	1.3
267.10242	2.2
270.08835	3.4
271.09622	1.1
277.21649	2.8
281.08118	2.6
283.05978	1.6
285.11142	7.8
287.05533	1.5
287.12924	1.6
288.06207	2.8
295.22601	1.0
298.08362	2.2
299.09036	2.3
301.03629	1.1
313.10699	100.0
313.13965	5.2
314.11035	5.0
316.05688	6.5
331.04593	1.7
331.08063	28.0
331.11786	33.9
331.15244	4.4
332.08463	2.3
332.12241	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	331.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35910	0.5
53.03940	0.9
55.01857	0.9
55.05519	2.9
57.03415	1.1
58.82661	0.6
58.99581	1.0
67.05496	3.6
69.03413	0.6
69.07072	0.6
71.04986	1.3
71.33730	0.7
79.05499	3.9
81.03391	1.2
81.07062	1.6
81.39491	0.7
83.04962	2.6
85.02905	0.7
91.05470	22.0
92.05800	0.7
93.07049	6.5
95.04970	3.1
97.06524	1.0
98.98459	38.8
100.98846	0.9
103.05455	2.4
104.92010	0.7
105.07021	11.9
107.04940	2.2
107.08571	1.8
109.02872	0.7
109.06494	1.8
115.05415	4.8
116.06253	3.0
116.99461	0.7
117.07008	12.8
119.04924	3.0
119.08567	1.9
120.24713	0.6
120.95041	0.6
121.06493	5.4
121.10152	1.7
122.03623	1.2
123.04427	3.0
125.05972	0.6
128.06226	1.6
129.06999	7.4
130.07777	7.3
131.08554	100.0
132.08873	4.0
132.99535	0.7
135.04398	0.8
135.08029	1.1
135.11691	1.4
137.05980	8.6
139.03903	0.8
139.07523	1.5
141.05421	1.0
143.04910	2.3
143.06001	0.6
143.08556	3.6
145.10110	82.2
146.10445	3.8
147.08049	1.5
149.05965	4.1
149.09573	5.8
151.03883	1.2
151.07536	11.6
152.06174	0.7
153.01802	2.9
154.69760	0.5
155.08577	0.7
157.06480	1.8
160.05226	0.6
161.05959	2.7
163.07536	4.0
163.11180	14.0
165.06947	1.3
165.09163	1.0
167.08571	2.1
171.04407	0.6
173.09583	4.0
174.06801	0.8
174.99211	1.0
175.07552	1.6
176.98885	3.5
177.05472	1.0
179.03377	31.9
180.03746	1.8
181.03418	0.5
181.04977	2.6
181.08548	0.6
182.07326	0.6
188.04813	0.8
189.09093	3.7
191.10652	69.6
192.10951	3.8
193.06572	0.8
193.10112	1.0
195.08054	3.0
197.06017	1.2
199.03888	0.8
200.71654	0.5
203.07024	2.8
207.06509	0.6
207.10106	0.7
209.05786	0.6
209.11696	2.0
210.06790	1.2
211.07487	1.0
221.05954	1.2
221.09752	0.9
223.07584	1.7
225.09079	1.0
227.10646	3.8
231.06528	5.9
239.07210	0.7
253.08598	2.1
253.12178	1.9
255.10146	3.4
259.89819	0.6
267.10260	1.7
269.08115	0.6
281.11670	0.7
285.11392	3.2
287.12778	4.1
295.09967	1.5
313.10904	1.4
313.14404	1.3
316.08749	0.8
331.04477	2.0
331.11932	2.7
331.15955	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.9
65.03917	2.1
67.05498	2.2
69.03421	2.7
69.48844	10.4
77.31079	1.6
79.05495	5.1
80.54536	1.5
81.03393	2.7
81.07045	3.2
85.02886	2.4
91.05473	37.5
92.05801	1.9
93.07056	2.9
94.03629	1.4
94.04163	3.6
95.04974	6.1
97.02873	2.0
98.97813	4.2
98.98459	81.3
100.20554	1.8
100.98918	2.8
101.75857	1.7
103.05431	9.1
105.07027	6.6
105.58787	1.7
107.04945	16.2
109.06549	6.7
111.04413	2.3
115.05437	2.8
116.99508	2.1
117.06996	3.9
119.04937	18.6
121.06488	14.4
122.03620	8.2
128.06250	5.2
129.06985	16.0
131.04916	7.5
131.08548	2.9
133.02838	1.9
133.06491	4.7
135.04434	4.7
135.08025	8.2
136.05159	4.3
137.02396	2.1
137.05966	88.2
138.06364	2.5
139.03923	1.7
145.06488	4.6
145.10229	1.6
146.07280	2.6
147.04391	7.0
149.05969	23.7
150.06750	4.1
151.03911	7.6
151.07529	98.6
152.06172	4.0
152.07938	3.2
153.01842	11.5
155.08569	1.9
157.06474	14.5
160.05052	2.0
161.05972	27.4
161.09637	7.4
162.06726	2.3
163.03867	2.1
163.07541	36.2
165.05588	2.7
165.06972	16.6
165.09160	5.0
166.07773	6.0
167.07187	2.6
167.08560	20.9
169.08388	12.1
174.06783	6.7
174.99258	2.8
175.07564	4.5
176.98969	6.0
177.05505	2.2
177.06926	2.0
177.09094	4.8
178.07826	7.6
179.03368	25.1
179.08546	3.1
181.06500	6.1
181.08670	3.7
181.10120	2.1
182.07231	5.3
183.08066	3.0
185.04233	11.0
189.05542	2.4
189.09090	42.6
190.09474	1.9
191.07004	2.1
192.09401	2.6
193.06487	9.3
193.10147	7.5
194.07289	3.5
195.08041	25.4
196.08699	3.1
197.06013	5.2
197.09708	1.9
203.05307	4.9
203.08505	3.0
207.08212	3.8
207.10208	9.5
208.04646	1.8
209.05948	3.3
209.09656	3.7
210.06712	13.0
211.07521	7.5
212.08252	4.3
213.09019	2.4
220.08784	3.1
221.06039	11.5
221.09550	13.4
223.07526	10.5
224.08331	4.1
225.05583	2.5
225.09088	13.3
227.06987	4.1
227.10629	29.1
231.08194	2.1
237.09058	3.0
238.06261	6.0
239.07057	7.2
240.07802	4.6
241.12177	2.6
249.09068	3.1
252.07770	4.6
253.08598	19.7
253.12201	16.7
255.06329	2.3
255.07452	3.0
255.10126	32.5
256.10635	4.9
257.08054	1.8
266.27036	1.7
267.10184	7.2
269.08090	5.2
270.08865	2.7
271.09689	11.4
272.10516	4.8
278.62436	1.9
281.11707	6.8
285.07974	2.5
285.11154	22.9
286.11426	2.2
287.12741	41.1
288.13290	3.1
288.36838	1.8
299.12704	2.7
313.07379	2.2
313.10739	7.3
313.14377	11.3
331.04654	4.8
331.13629	100.0
332.14029	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	331.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.9
53.97991	1.3
55.05510	1.5
60.86729	1.5
65.03945	3.1
68.86951	1.5
69.27732	12.6
79.05492	3.5
79.78380	1.5
81.07050	3.9
83.37834	1.4
87.08110	1.5
88.00442	1.4
91.05483	42.1
93.07073	2.5
94.04164	5.7
95.04955	8.9
95.33694	1.6
95.40540	1.4
98.98462	33.3
103.05457	8.4
105.07008	7.9
107.04962	8.4
108.05733	1.5
109.06510	5.4
111.04439	2.7
113.43745	1.5
115.05437	2.7
117.07003	4.5
119.04934	19.4
121.06494	9.4
122.03635	9.6
123.04395	1.8
128.06230	8.1
129.06993	19.8
131.04936	7.3
131.08560	12.5
133.02878	2.0
133.06470	3.7
135.08052	7.4
136.05205	3.6
137.05971	95.2
138.06348	1.6
143.04910	2.5
145.06458	4.7
145.10135	8.4
146.03555	2.4
147.04424	2.2
147.08073	1.9
149.05968	15.5
150.06723	1.8
151.03918	6.0
151.07533	100.0
152.06226	6.9
152.07832	3.5
153.07025	3.6
154.07661	1.9
157.06493	14.2
158.07248	1.7
159.08037	1.6
161.05972	19.5
161.09612	4.8
162.06572	1.5
163.07518	22.9
165.06989	18.0
165.09093	4.5
166.07695	4.6
167.07140	3.1
167.08542	22.2
168.05692	1.8
169.06494	3.0
174.06718	7.3
174.99217	2.8
175.07465	4.4
176.98874	2.3
177.05530	2.4
177.06984	2.2
177.09091	2.9
178.07773	9.3
179.03352	4.0
179.08516	3.7
181.06499	8.3
181.10069	2.0
182.07233	5.8
184.08937	1.7
187.07530	1.6
189.09081	33.1
190.09505	1.9
191.08643	2.8
191.10663	5.6
192.09390	3.1
193.06473	10.6
193.08008	1.5
193.08548	1.2
193.10167	9.6
194.07303	4.2
195.08055	31.2
196.05324	2.0
196.08667	4.5
196.41721	1.5
197.05962	8.7
197.09602	2.4
198.06720	1.7
199.07433	2.0
200.45271	1.3
202.07784	2.0
203.08557	1.7
206.07350	1.9
207.08240	1.9
207.10152	6.0
209.05994	4.3
209.09680	6.1
210.06757	11.9
211.07510	7.4
212.08290	5.5
213.05458	2.3
213.09088	3.4
219.08072	1.7
220.08754	1.8
221.06082	8.2
221.09566	12.6
222.06888	2.7
223.07524	13.7
224.08234	6.5
225.05426	3.7
225.09091	13.1
227.07028	6.7
227.10661	28.7
237.08957	2.6
238.06218	6.8
238.09892	2.6
239.06903	4.0
239.10573	2.4
240.07701	4.4
241.08455	1.7
242.09384	2.2
249.09059	7.1
252.07759	2.9
253.08565	20.1
253.12247	14.1
255.06485	3.4
255.10161	33.5
256.10657	2.9
267.10141	5.8
269.08102	4.3
270.08740	2.7
271.02576	1.8
272.10400	6.1
281.11661	6.2
285.11237	21.8
287.12756	42.2
288.13202	4.1
298.11908	2.3
299.12601	2.8
301.14340	1.9
313.10809	2.8
313.14316	11.7
316.02112	2.7
316.05750	3.0
331.04453	5.0
331.08115	4.1
331.11737	12.3
331.15350	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	331.1539
Annotation	Muricarpone B
Peak:m/z	Relative Intensity
51.02376	1.2
53.03941	1.2
54.31328	0.7
55.01865	2.8
55.05506	2.5
57.03434	1.6
58.03752	0.8
65.03944	6.2
67.05500	5.1
69.03423	1.2
69.07063	4.2
69.26888	2.8
69.27324	2.6
77.03934	1.0
79.05501	6.4
81.03420	1.6
81.07061	6.4
83.04964	0.9
83.08650	0.8
85.02908	1.1
85.06541	1.3
90.92909	0.6
91.05477	11.8
92.82990	0.7
93.03404	10.2
93.07063	3.7
94.04203	1.5
95.04961	4.0
95.08605	3.7
97.06533	1.6
98.98467	20.1
103.05460	6.9
105.03394	1.8
105.07030	28.3
106.07378	1.4
107.04955	4.4
107.08604	2.0
109.06503	2.7
109.10165	1.4
110.03661	1.1
111.04440	17.9
111.05175	1.3
115.05456	2.2
117.07015	2.5
119.04938	6.1
119.08562	2.8
121.02802	0.8
121.06515	3.6
121.10146	1.7
122.03631	4.6
123.04427	91.7
123.08057	1.2
123.11677	3.5
124.04761	2.1
125.05988	6.6
128.06212	3.1
129.07021	1.2
131.04918	2.8
131.08560	4.6
133.06483	17.8
133.10124	2.4
134.06842	0.9
135.04445	0.9
135.08058	1.7
135.11674	1.0
137.02351	28.2
137.03473	1.9
137.05977	100.0
138.02635	0.7
138.06337	4.0
139.03899	20.7
141.06969	1.2
143.08559	5.3
145.06470	4.1
145.10097	1.0
147.04410	2.8
147.08044	0.9
148.05161	1.6
149.05986	5.9
149.09547	1.0
151.03922	17.1
151.04971	1.1
151.07542	43.0
152.06262	1.7
153.01820	0.9
153.05464	16.0
153.06950	2.7
157.06506	1.7
159.08055	8.9
160.05168	0.8
161.05972	8.9
161.09570	2.0
163.04025	0.8
163.07527	9.3
164.08250	2.8
165.05495	1.8
165.06981	3.5
165.09113	26.6
166.09404	1.5
167.03394	5.5
167.07057	5.2
167.08427	1.4
168.05641	1.0
169.06419	1.5
171.08060	9.3
172.08807	1.0
174.06764	2.4
175.07594	1.4
176.98898	1.1
177.05473	2.1
177.09036	5.2
179.03424	2.5
179.07019	3.8
181.04921	2.5
181.06506	3.0
181.08551	3.1
182.07272	1.8
183.08040	2.4
185.05972	1.4
188.08318	2.9
189.05457	2.5
189.09103	14.9
190.09351	0.8
191.06978	1.2
191.10667	7.1
192.04240	0.8
193.08615	0.9
193.12311	0.9
195.07959	1.0
197.05959	1.8
198.06752	1.5
203.10670	8.9
207.06581	3.3
207.10170	25.3
208.10472	1.2
209.05946	1.0
210.06738	2.3
211.07536	3.2
212.08380	1.8
213.05499	1.5
214.06241	1.5
215.06931	1.0
221.05994	2.0
221.11711	16.6
222.12045	0.9
223.07568	1.1
224.08131	1.0
225.05412	0.9
225.09175	3.7
226.06256	1.2
227.06970	2.1
227.10661	1.2
228.07814	1.2
230.05646	1.0
231.06523	1.1
235.07500	0.8
235.11119	0.8
236.64546	0.8
238.06271	2.0
239.06955	2.3
241.05070	1.2
242.05748	1.4
243.06441	1.4
243.10088	0.9
253.08554	3.1
254.09288	0.8
255.06534	1.5
256.07205	1.6
257.08246	1.2
259.06012	1.6
260.06815	1.1
263.10794	0.9
269.07977	0.8
270.08777	1.1
271.05875	1.2
271.09592	3.5
273.07834	1.1
281.08408	1.5
281.11697	2.6
285.11169	1.9
285.14590	1.1
287.05548	1.2
288.06296	2.9
299.05444	1.1
299.09079	1.1
303.12311	1.1
313.07117	0.5
313.10678	10.9
313.14307	5.6
313.17508	1.1
314.11014	1.4
316.05731	8.9
316.09137	0.8
316.14294	1.0
331.04617	1.9
331.08023	26.2
331.11722	24.8
331.15530	6.1
332.08255	1.8
332.12115	2.8
332.15875	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.154
Annotation	Muricarpone B
Peak:m/z	Relative Intensity
53.03951	1.1
55.01870	2.2
55.05518	1.4
56.63231	0.5
57.03450	0.5
65.03939	6.2
66.98951	0.5
67.05497	3.4
69.03402	0.7
69.07068	4.4
70.47196	0.8
70.47578	1.2
77.03939	1.2
79.05489	6.2
81.03421	1.1
81.07050	4.2
83.04993	0.9
85.06549	0.7
88.62031	0.5
91.05476	8.8
93.03402	9.5
93.03960	0.9
93.07056	1.5
94.04188	2.2
95.04962	3.2
95.08611	1.8
98.98460	11.8
103.05463	7.0
105.03382	1.3
105.04551	0.7
105.07026	26.6
107.04967	4.1
107.08617	1.3
109.02904	1.0
109.06511	2.2
109.10166	1.7
110.03671	0.9
111.04445	15.7
112.04713	0.6
115.05474	1.4
117.07043	1.1
119.04937	4.2
119.08584	1.4
121.02798	0.6
121.06479	2.6
121.10121	1.0
122.03661	6.0
123.04427	95.7
123.11725	4.7
124.04684	1.2
125.05976	6.8
128.06224	1.9
129.07027	0.7
131.04890	3.4
131.08585	4.5
133.02898	0.6
133.06487	19.9
133.10147	1.2
134.06853	0.8
135.04404	1.5
135.08069	1.0
135.11714	0.7
135.42050	0.5
137.02357	26.5
137.03490	2.2
137.05972	100.0
138.06303	2.9
139.03900	22.5
141.07002	0.7
143.08548	7.6
145.06485	4.9
145.10141	1.5
147.04396	2.1
148.05168	1.5
149.05984	3.9
150.06671	0.9
151.03917	16.3
151.04967	1.2
151.07541	33.9
151.11142	1.3
152.04285	0.8
152.07970	1.0
153.05460	16.2
153.06735	0.8
157.06520	0.7
159.08055	9.1
159.11670	0.6
161.05997	3.0
161.09641	1.7
162.06744	1.1
163.03860	0.6
163.07523	6.4
164.08289	1.2
165.06931	1.3
165.09117	25.2
166.09438	0.7
167.03394	2.2
167.07043	3.8
167.08438	0.9
168.05800	0.6
171.08038	8.8
173.05945	0.9
174.06717	2.8
175.07539	1.0
176.98882	0.9
177.05428	1.4
177.09102	4.3
179.03458	1.4
179.07042	0.9
181.04926	2.1
181.06389	1.0
181.08615	3.4
182.07253	0.7
183.08038	0.7
185.05911	0.6
188.08302	1.8
189.05452	1.0
189.09099	12.9
191.06914	0.7
191.10669	5.1
192.04105	1.7
193.08661	0.6
195.08060	0.9
196.05112	0.6
197.05966	1.3
199.07646	0.7
200.02087	0.5
201.12721	0.9
203.10638	9.3
203.91237	0.6
207.06407	1.6
207.10159	24.1
208.10530	1.2
211.07469	1.3
213.05399	1.4
213.09142	0.6
219.71690	0.6
221.11711	15.2
222.12045	0.7
225.09067	0.9
225.16185	0.6
227.06898	0.8
228.07587	0.5
238.06186	0.7
239.06894	0.9
240.07704	0.8
245.04402	0.9
252.07759	0.6
253.08528	0.8
255.06490	0.9
256.07117	0.9
263.10583	0.9
271.09537	0.8
273.03925	0.5
281.08566	0.6
281.11679	2.0
285.11148	0.8
288.06247	2.1
295.13165	1.2
299.09216	0.8
313.10568	7.3
313.14221	4.5
315.07715	0.9
316.05759	4.3
331.04248	1.3
331.07986	10.0
331.11609	8.1
331.15369	3.9
331.25909	0.7
332.08389	1.0
332.11978	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.5
55.01859	1.6
65.03938	1.9
67.05479	1.4
70.45840	1.8
72.12944	0.9
73.25889	0.9
77.03934	0.9
79.05485	6.9
81.03409	0.9
81.07034	4.0
83.04979	1.6
83.13167	0.9
91.05472	37.9
91.06045	2.1
91.52713	0.9
92.05810	1.3
93.07034	1.5
94.04169	3.5
95.04964	6.2
95.08627	1.0
97.02878	1.1
98.98458	47.2
103.05447	7.8
105.03369	1.0
105.07033	8.6
107.04944	10.5
107.08578	1.3
109.06506	7.7
111.04394	2.8
115.05451	2.9
117.06993	3.7
119.04939	21.0
119.08581	1.9
121.06502	6.9
122.03645	10.8
123.04415	2.0
125.06018	1.6
125.64796	1.0
128.06197	6.2
129.07004	18.2
131.04935	10.1
131.08566	3.2
133.06474	3.6
133.10121	2.7
135.04387	1.9
135.08069	6.8
136.05162	3.7
136.08331	0.9
137.05965	100.0
138.06285	2.5
139.07593	1.0
141.07051	2.0
143.04912	1.5
145.06471	2.8
146.03598	2.2
147.04427	2.0
147.11652	1.4
148.05142	1.6
149.05965	14.6
150.06706	1.9
151.03949	7.4
151.07529	98.1
152.06166	6.2
152.07881	3.4
153.01808	8.2
153.06995	3.3
154.07719	1.2
156.05656	1.3
157.06483	11.9
158.07191	1.6
161.04709	1.0
161.05988	15.6
161.09647	4.6
162.06621	1.7
163.07529	27.8
165.05577	2.0
165.06973	16.3
165.09082	6.8
166.07687	3.7
167.07004	2.5
167.08533	23.8
168.05658	1.1
169.06509	2.8
174.06721	8.7
174.99222	1.5
175.07570	6.2
176.98918	2.9
177.05577	1.9
177.07025	3.4
177.09047	2.7
178.07758	9.5
179.03381	6.4
179.07040	1.0
179.08485	2.4
181.04918	5.8
181.06476	6.8
181.08611	1.4
181.10071	2.1
182.07300	6.1
183.08018	2.6
184.08751	1.9
185.05934	1.2
189.05435	1.2
189.09093	30.9
190.09424	1.7
191.08549	2.7
191.10669	1.0
192.09338	2.8
193.06491	8.5
193.08072	1.2
193.10115	8.4
193.12047	1.9
194.07248	4.0
195.08028	29.9
196.05331	1.1
196.08694	3.5
197.05916	6.7
197.09633	2.7
199.07596	2.0
202.07823	1.9
203.08522	2.9
204.22641	1.0
205.06557	2.1
206.07228	2.1
207.04395	2.2
207.08052	2.7
207.10159	3.7
208.08603	1.4
209.05949	3.5
209.09601	5.6
210.06715	10.2
211.07478	7.1
212.08340	6.4
220.08852	1.3
221.05991	11.9
221.09502	11.7
222.06544	2.6
223.07520	12.5
224.08218	5.8
225.01833	4.1
225.05409	3.1
225.09068	12.7
227.06985	3.0
227.10623	33.1
228.00505	3.2
228.10938	2.0
229.08536	1.1
231.07899	1.5
235.07701	1.2
237.05475	1.7
237.09058	3.6
238.06201	5.8
238.09836	3.0
239.06921	4.1
239.10664	2.1
240.07751	4.7
241.08543	2.0
241.12213	1.7
249.09016	5.8
251.07169	1.2
252.07809	2.7
253.01300	3.2
253.08582	18.7
253.12202	16.4
254.09059	2.1
255.06400	2.0
255.10135	30.5
256.10626	1.6
257.08075	1.2
260.02988	1.2
267.10126	6.8
269.08066	5.3
269.11697	2.9
271.02432	6.0
271.09552	1.4
272.10364	5.3
281.08127	2.2
281.11707	6.0
283.99423	1.2
284.10352	1.6
285.11166	19.3
285.18320	1.4
286.11487	1.3
287.12744	37.9
288.13022	2.1
299.01834	13.2
300.02191	1.5
300.99866	4.5
301.14206	1.3
313.10632	9.2
313.14288	9.5
316.02045	6.6
331.04501	24.1
331.08029	2.4
331.11810	9.2
331.15451	2.9
332.04855	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1538
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
51.54108	1.2
53.03929	1.3
54.04233	1.2
65.03934	2.8
71.37900	1.7
78.91701	1.2
79.02026	1.2
79.05492	2.3
81.07048	2.0
91.05473	31.5
94.04194	2.7
95.04960	4.3
98.98452	5.7
103.05453	5.1
105.07035	5.9
107.04910	6.7
109.06492	3.6
111.04461	1.4
115.05476	2.3
117.03345	1.3
117.07006	1.6
119.04932	17.8
121.06484	6.8
122.03635	8.5
128.06194	3.7
129.06998	16.2
131.04956	6.5
133.06470	2.3
134.47086	1.5
135.08009	6.6
136.05135	3.4
137.05969	74.9
138.06284	2.7
143.04936	2.3
145.06467	3.9
146.03627	1.9
146.07234	1.7
149.05978	14.2
151.03949	2.3
151.07535	100.0
152.06190	3.4
152.07877	3.5
153.06873	1.3
155.08553	1.4
157.06471	11.2
159.07990	1.3
161.05972	12.3
161.09604	2.9
163.07547	21.2
164.08214	1.4
165.07013	12.3
165.09140	6.0
166.07698	2.0
167.08542	16.5
169.06479	2.0
174.06755	5.4
175.07544	2.6
176.08153	1.2
177.06950	1.4
177.09148	4.2
178.07761	8.5
179.08498	2.5
181.06522	5.0
182.07256	4.4
184.08745	1.9
189.09094	34.5
190.09442	2.7
191.08607	2.0
192.09259	1.4
193.06453	5.7
193.10083	8.0
194.07227	3.1
195.08038	26.2
195.09711	1.3
196.08705	1.8
197.05995	6.2
202.07732	1.4
203.08521	3.0
206.07285	2.1
207.08134	2.1
207.10178	4.6
209.05980	3.6
209.09607	4.5
210.06757	9.5
211.07504	5.2
212.08252	5.9
219.08148	2.5
220.08849	2.0
221.06004	10.1
221.09518	10.2
222.06653	1.8
223.07504	10.4
224.08220	5.7
225.05547	2.7
225.09100	10.9
226.09579	2.0
227.07027	2.1
227.10655	26.2
228.10979	2.1
235.07574	2.3
237.09166	2.8
238.06226	5.2
239.06982	2.7
240.07800	3.0
241.12312	1.6
249.09187	6.5
252.07788	2.0
253.08569	14.0
253.12245	17.0
254.09250	1.6
254.12804	1.6
255.10138	33.6
256.10562	3.6
257.07962	1.6
266.09430	1.6
267.10159	6.8
269.07999	4.6
269.11707	1.7
270.08704	2.0
272.10443	3.5
281.11716	6.6
285.11154	19.1
287.12744	39.7
288.12982	1.8
298.11917	1.6
299.12637	2.5
301.14310	2.3
313.14307	13.6
330.64532	1.5
331.15384	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	331.1537
Annotation	Macquarimicin A
Peak:m/z	Relative Intensity
55.01870	1.7
65.03929	1.6
69.58047	5.7
79.05476	4.4
81.07061	2.1
91.05476	37.2
94.04156	4.9
95.04933	6.0
98.98469	9.0
103.05450	4.3
105.07030	6.2
107.04955	10.5
109.06506	5.0
111.04424	2.3
115.05424	4.1
117.07018	2.8
119.04945	23.5
119.08529	1.3
121.06508	7.8
122.03642	9.5
123.04407	1.5
128.06207	5.6
129.06992	17.1
131.04907	7.5
131.08537	2.7
132.87489	1.5
133.06476	3.7
135.08029	6.5
136.05164	3.9
137.05972	91.9
138.06291	2.6
141.06947	2.1
143.04813	2.0
144.05675	1.3
145.06490	3.6
146.03564	1.4
147.04404	2.4
148.05238	1.6
149.05974	15.9
151.03891	4.0
151.07539	100.0
152.06203	4.7
152.07860	4.5
153.06870	2.3
154.07764	1.9
155.06027	1.4
157.06491	13.3
161.05977	13.9
161.09601	3.9
162.06570	2.2
163.03909	1.7
163.07535	23.2
165.06999	15.2
165.09135	4.4
166.07695	4.1
167.08556	20.7
168.08925	1.2
169.06490	2.8
174.06760	4.9
175.07552	5.1
177.06978	1.6
177.09087	4.2
178.07777	5.4
179.03406	2.4
179.08458	2.8
181.05057	1.6
181.06425	5.6
181.10068	2.2
182.07260	5.1
183.08078	2.3
189.09094	35.3
191.08534	2.7
192.05658	1.5
192.09364	2.9
193.06516	8.4
193.08464	1.8
193.10072	9.6
194.07150	3.8
195.08058	29.6
196.05074	2.0
196.08644	4.2
197.05997	7.1
197.09625	2.5
199.07610	1.3
200.51761	1.2
203.08684	2.2
205.06476	2.1
206.07242	3.1
207.08165	2.1
207.10141	6.2
209.06055	3.6
209.09605	4.7
210.06697	12.4
210.09935	1.2
211.07588	6.0
212.08305	7.5
219.07942	2.4
220.08850	2.6
221.06021	13.0
221.09532	11.4
222.06627	1.4
222.10295	1.2
223.07506	14.6
224.08281	4.7
225.01819	4.8
225.05521	2.8
225.09120	11.7
226.09735	1.4
227.07068	3.0
227.10663	33.1
228.00511	3.4
228.10957	2.0
235.07451	1.5
237.09050	3.6
238.06270	6.7
238.09882	2.5
239.06792	3.4
240.07814	4.1
241.08693	2.7
241.12274	2.3
249.09134	7.9
252.07805	3.2
253.01346	3.7
253.08578	15.6
253.12219	17.9
254.09132	2.0
255.10126	32.3
255.99988	1.8
256.10559	3.5
260.03177	2.1
267.10138	7.9
269.08124	4.6
269.11783	4.5
270.08673	2.4
271.02377	10.5
272.10504	3.7
273.00232	3.6
281.11740	7.6
283.99487	2.2
284.10611	1.9
285.11209	22.9
286.11392	1.5
287.12766	36.7
288.12997	2.7
298.12015	1.6
299.01852	21.9
299.12778	1.9
300.02316	2.8
300.99695	4.7
302.00244	1.6
313.14325	9.7
316.02130	12.9
331.04440	34.9
331.08011	1.2
331.11505	2.1
331.15350	3.1
332.04727	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	331.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.6
55.01875	1.8
79.05495	4.3
81.07050	3.0
91.05469	35.7
94.04189	5.3
95.04931	7.3
98.98460	16.3
103.05479	7.3
105.07016	7.5
107.04941	9.0
109.06515	5.7
115.05462	3.8
117.06996	1.7
119.04922	20.2
119.08564	1.6
121.06516	7.8
122.03654	9.2
123.04449	2.3
123.08010	1.6
124.05262	1.9
128.06242	4.9
129.06987	17.0
131.04916	6.8
131.08557	1.8
133.06485	3.1
133.10115	5.1
135.08025	6.7
136.05194	4.0
137.05968	93.8
138.06296	3.1
143.04872	2.3
145.06464	3.9
147.04515	1.8
147.11632	1.9
149.05966	16.2
151.03905	3.2
151.07529	100.0
152.06224	5.1
152.07854	4.4
153.01794	1.9
153.07025	1.6
154.07715	1.4
157.06470	15.1
158.07224	1.8
159.04382	1.3
161.05977	20.0
161.09612	4.3
163.07532	26.5
165.05733	2.5
165.06995	12.6
165.09131	5.8
166.07738	3.1
167.08562	19.3
169.06424	2.8
174.06761	8.0
175.07570	5.4
175.33060	1.3
177.05582	1.7
177.07021	2.0
177.09071	3.3
178.07748	7.4
179.08530	2.2
181.04996	2.2
181.06480	5.0
182.07245	6.0
184.08795	2.7
187.07495	2.2
189.09088	37.7
190.09441	1.6
191.08495	1.7
192.09250	1.6
193.06483	8.1
193.10069	8.9
194.07288	3.9
195.08038	27.0
196.08591	3.8
197.05937	6.5
197.09641	2.6
202.07869	1.9
203.08652	1.9
205.06506	2.0
207.08202	2.1
207.10161	4.8
209.05949	4.2
209.09622	4.9
210.06747	9.6
210.10228	2.0
210.14539	1.3
211.07504	5.7
212.08318	5.9
219.08061	2.0
220.08904	2.0
221.05943	12.3
221.09535	10.9
222.06702	1.5
222.10196	1.5
223.07492	12.8
224.08270	6.2
225.05444	3.6
225.09077	13.0
226.09412	2.0
227.06989	4.5
227.10635	31.1
228.11099	1.5
234.06795	2.0
236.13107	1.3
237.05423	2.5
237.09106	2.8
238.06209	7.4
238.09921	2.2
239.07031	4.2
239.10518	1.6
240.07869	5.5
241.08759	1.7
241.12161	4.2
249.09081	8.2
252.07848	2.9
253.08626	17.3
253.12207	15.8
254.09218	1.7
255.06386	2.6
255.10129	33.2
256.10629	1.9
267.10132	7.4
269.08099	7.9
269.11517	2.7
270.05261	2.2
270.08377	1.6
271.54828	1.5
272.10443	2.7
281.11743	8.5
284.10394	2.2
285.11121	20.7
286.11432	2.9
287.12738	40.6
287.15903	2.5
288.13049	3.6
299.12775	2.3
313.14276	9.5
316.09109	2.0
331.04623	3.1
331.08133	6.9
331.11612	6.1
331.15421	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	331.1538
Annotation	(-)-Thannilignan
Peak:m/z	Relative Intensity
50.25446	1.0
50.27343	0.9
51.62046	1.1
53.03944	2.2
55.01879	2.7
61.80528	1.0
65.03943	2.4
67.05500	2.6
69.03452	1.3
69.53876	6.7
71.02744	0.9
71.04988	1.1
79.05495	7.0
81.07052	5.6
91.05476	41.0
93.07040	2.9
94.04186	4.6
95.04960	8.4
95.08566	1.8
96.68080	1.0
98.98465	80.6
100.73007	1.3
100.98873	1.2
103.05477	6.5
103.09000	1.1
105.07036	7.2
107.04926	8.2
108.05732	1.1
109.06518	5.3
109.10175	1.4
111.04454	2.2
114.29723	1.0
115.05460	3.2
117.07011	2.9
119.04946	24.5
119.08559	1.6
121.06497	9.3
122.03641	11.6
123.04430	2.6
123.11636	1.6
128.06192	6.0
129.06993	20.2
131.04907	7.7
131.08569	2.9
133.06480	2.3
133.10135	1.4
134.03612	2.0
135.04422	2.2
135.08037	8.7
136.05194	4.5
137.05975	100.0
138.06293	3.2
141.06993	4.0
143.04932	2.0
145.06459	6.7
146.03596	2.3
146.07253	2.1
147.04413	3.0
147.08061	2.7
148.05148	1.4
149.05978	16.7
150.06726	2.5
151.03955	6.3
151.07539	99.9
152.06158	6.9
152.07922	2.6
153.06931	4.3
154.07747	1.4
155.08528	2.7
157.06485	17.9
159.04407	1.7
160.05196	1.6
161.05971	17.5
161.09676	3.1
162.06645	1.3
163.03941	1.7
163.07541	22.7
165.05621	2.5
165.07010	21.1
165.09085	5.9
166.07745	6.0
167.04910	1.5
167.07158	2.8
167.08559	20.1
168.05685	4.0
169.06450	5.4
170.07164	1.1
171.08043	1.8
174.06744	9.0
174.99234	3.7
175.07587	5.5
176.98926	5.8
177.05537	2.3
177.07010	3.0
177.09090	3.4
178.07726	7.7
179.03421	2.6
179.08516	3.5
180.05719	1.5
181.05025	1.8
181.06491	10.1
182.07243	8.7
183.04449	1.5
183.08047	7.5
184.05196	1.9
184.08809	1.5
185.05974	4.2
187.07562	1.8
189.09097	35.3
191.08604	2.5
192.09322	2.6
193.06494	7.3
193.08546	1.2
193.10135	8.5
194.07274	4.7
195.08040	32.5
196.05206	3.2
196.08817	3.8
197.06024	9.2
197.09572	2.6
198.06645	2.2
199.07593	2.6
202.07797	2.7
203.08589	2.1
204.97961	1.3
206.07294	2.5
207.04477	1.4
207.08247	2.5
207.10184	4.8
209.05933	6.8
209.09647	4.7
210.06720	14.3
211.07506	13.7
212.04663	1.2
212.08305	6.9
213.05476	3.7
213.09009	2.8
214.06274	2.7
221.06017	12.7
221.09589	13.3
222.06586	2.2
222.10052	1.4
223.07539	14.5
224.08331	7.0
225.05501	4.4
225.09073	13.5
226.06271	2.0
226.09515	1.3
227.07231	6.8
227.10652	33.5
228.07811	3.0
229.08479	1.8
230.05742	2.1
231.08130	1.4
234.06696	1.3
235.07486	1.3
237.05582	2.4
237.09134	3.8
238.06213	9.6
238.10004	3.2
239.06947	6.3
239.10565	2.2
240.07808	5.9
241.04967	2.5
241.08633	3.8
241.12204	2.4
243.10245	2.6
249.09120	7.1
251.07016	1.9
251.10634	1.3
252.07755	2.7
253.08614	18.2
253.12250	16.0
254.09131	2.7
255.06566	2.9
255.10161	31.0
256.07318	2.0
256.10516	2.1
257.08105	3.0
267.10135	6.8
269.08142	5.7
269.11600	2.2
270.08859	3.1
271.09668	4.4
271.12836	1.1
272.10339	5.2
273.07785	1.8
281.08682	1.5
281.11670	6.6
284.10379	1.5
285.07999	1.6
285.11209	24.3
286.11374	1.6
287.12750	45.0
287.15952	2.5
288.13104	3.7
299.09100	2.5
299.12692	1.9
300.02802	2.5
313.10547	4.5
313.14395	10.2
316.02127	4.1
316.05786	1.2
316.09341	2.3
331.04974	11.1
331.08228	4.8
331.11740	49.5
331.15356	5.5
332.08417	1.4
332.12207	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	331.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.1
54.56126	1.5
55.01877	2.2
55.90906	1.3
59.45330	1.4
69.03419	2.5
70.27846	4.8
79.01885	1.3
79.05479	4.8
81.03354	1.5
81.07039	3.0
85.02900	1.5
91.04932	2.3
91.05479	38.6
92.05832	2.3
94.04169	6.8
95.04987	8.1
97.02917	2.4
98.22507	1.6
98.98464	61.5
100.98905	2.3
103.05473	8.6
105.07017	5.7
107.04939	9.9
109.02879	3.2
109.06501	5.2
111.04430	1.7
113.52498	1.5
115.05431	2.4
119.04929	19.0
121.06490	11.4
122.03648	9.8
123.04462	3.8
125.02325	2.3
128.06227	6.6
129.06972	18.0
131.04886	10.0
133.06471	4.7
135.04411	3.1
135.08018	7.5
136.05206	3.4
137.05969	100.0
138.06332	1.8
139.07465	1.5
141.06934	1.4
145.06441	4.0
146.03642	1.8
149.05956	18.2
150.06715	2.1
151.03886	6.2
151.07536	94.7
152.06213	6.6
152.07872	4.2
153.01833	27.8
153.03003	3.2
153.05496	1.7
153.06982	2.7
157.06506	12.5
157.90826	1.7
161.05971	18.6
161.09589	4.8
163.03804	1.6
163.07541	30.1
165.05722	2.3
165.06995	15.2
165.09152	4.8
166.07736	5.6
167.08577	19.9
169.06453	2.5
171.08032	1.9
174.06804	9.4
174.99176	3.4
175.07506	4.5
176.08321	1.9
176.98909	3.8
177.09085	3.1
178.07732	10.2
179.03392	19.6
179.08540	3.1
181.04979	1.8
181.06396	3.7
181.08607	2.3
182.07277	5.6
184.08713	2.3
187.07484	2.0
189.09093	43.1
191.08563	2.2
192.09341	2.4
193.06522	8.8
193.10114	7.7
194.07230	4.0
195.08034	29.3
196.08701	3.2
197.05995	5.2
197.09619	1.7
198.06746	1.6
199.07420	1.8
202.07915	1.8
203.08501	2.9
205.06499	2.6
206.07198	2.5
207.08109	2.5
207.10146	4.9
208.20639	1.5
209.05923	3.6
209.09584	4.5
210.06718	12.1
211.07487	6.5
212.08246	4.7
220.08786	1.8
221.06023	9.1
221.09584	13.8
222.06645	2.4
223.07545	13.0
224.08249	7.3
225.05507	3.2
225.09088	11.5
227.06998	3.9
227.10648	31.7
227.12733	2.4
235.07434	3.0
237.05370	2.0
237.09102	4.8
238.06166	4.3
238.09857	1.8
239.06937	3.6
239.10715	2.1
240.07652	2.0
241.08415	2.7
241.12234	1.9
249.09146	6.8
250.09749	1.8
252.07838	3.0
252.95979	1.4
253.08604	14.1
253.12225	21.0
254.09308	3.0
255.06390	2.4
255.10138	32.2
256.10611	3.3
267.10214	8.3
269.08005	5.8
270.08817	2.0
271.09116	2.1
272.10458	3.9
281.11703	8.3
285.11163	22.4
287.12744	44.9
288.13089	2.4
299.12674	2.1
301.14301	2.0
313.11176	2.3
313.14288	12.1
316.09003	2.2
331.04410	5.4
331.11588	6.3
331.15302	3.9
349.12723	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	331.1541
Annotation	Dihydroconiferyl dihydro-p-coumarate
Peak:m/z	Relative Intensity
51.77084	1.8
53.03936	4.0
54.09526	1.8
55.01873	11.5
56.84721	1.8
65.03911	2.0
67.05499	4.2
69.03908	11.3
69.04325	8.5
79.05497	8.9
81.07074	2.4
82.49615	1.9
91.05482	22.9
93.07066	9.9
95.04964	7.7
98.23338	4.2
98.98480	8.9
103.05469	92.5
104.06307	4.5
105.07030	51.9
106.07240	2.1
107.04974	16.0
109.02917	2.1
109.06536	4.6
111.04453	2.6
112.87662	2.1
115.05479	7.2
117.06970	4.3
119.04957	9.7
119.59148	2.1
121.06505	38.5
122.03682	3.0
123.04433	32.8
124.47898	2.1
125.33427	1.9
128.06209	6.7
131.04930	45.5
132.05733	4.7
133.06490	40.1
135.08070	21.7
137.05981	63.4
138.06299	2.8
143.08560	8.3
145.06509	4.5
147.04410	15.9
147.08078	5.1
148.05234	10.2
149.05981	97.9
150.06421	2.6
151.03922	3.8
151.07542	31.9
161.05980	72.8
161.09599	10.7
162.06393	2.8
163.07539	61.3
164.08345	100.0
165.07065	2.6
165.09126	23.3
167.07051	3.6
168.45012	1.9
171.08064	5.3
175.07571	12.0
179.07069	8.8
180.07828	5.3
181.08684	4.5
183.08075	2.7
189.09097	58.2
190.09518	3.2
190.63640	2.3
193.08609	57.2
197.05965	2.7
207.08264	3.9
207.10135	25.7
209.09631	2.4
211.07651	2.6
225.09048	3.9
235.07680	3.3
235.11229	2.8
253.08777	2.4
267.10281	3.5
285.11224	27.7
286.11755	2.8
313.14285	8.7
316.05820	2.9
331.04410	4.7
331.08109	5.8
331.11789	10.9
331.15335	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	331.1539
Annotation	Dihydroconiferyl dihydro-p-coumarate
Peak:m/z	Relative Intensity
53.03953	1.2
55.01878	5.3
57.03458	0.6
58.70072	0.6
65.03962	1.8
67.05504	1.0
68.93306	0.7
69.03412	1.4
70.68889	0.9
70.69224	1.1
77.03945	0.9
79.05495	8.3
81.03429	0.9
81.07069	2.1
89.50475	0.8
91.05478	22.7
93.03411	1.3
93.07053	2.7
94.04183	2.3
95.04967	4.8
98.98470	1.9
102.04694	0.9
103.05468	53.8
104.05809	1.9
105.03405	1.0
105.04578	0.9
105.07034	25.1
106.07359	1.2
107.04942	8.2
107.08598	1.4
109.06526	6.3
115.05457	15.4
115.06241	1.3
117.07012	7.6
118.18690	0.7
119.04941	11.7
119.08578	1.8
121.06512	11.7
122.03663	6.2
123.04445	10.0
124.05206	0.7
125.06013	0.9
126.49310	0.6
127.92840	0.6
128.06223	20.5
129.07048	1.6
131.04930	28.9
131.08586	1.4
132.05742	1.1
133.06488	19.5
133.07516	1.1
133.10181	1.1
135.04434	1.3
135.08020	4.2
136.05222	1.8
137.05975	85.1
138.06314	2.2
141.07031	1.7
143.04912	5.2
143.08562	23.2
144.08899	1.1
145.06488	11.2
146.07225	1.6
147.04440	4.4
147.08054	4.8
148.05186	13.4
149.05978	23.4
150.06487	1.0
151.03937	6.8
151.07539	41.4
152.06190	0.9
152.07903	1.8
153.05527	0.7
153.07010	2.0
155.06046	2.5
156.05739	0.7
157.06471	1.5
159.07996	1.0
160.05215	3.1
161.05980	100.0
161.09602	12.5
162.06290	3.7
163.07544	53.2
164.08325	11.5
165.06931	1.8
165.09114	33.0
166.09450	1.5
166.35915	0.7
167.03387	2.5
167.07153	0.9
167.08614	1.9
171.06569	0.8
171.08054	17.0
172.08395	1.1
174.06805	3.4
175.07510	3.3
177.05511	1.0
177.09166	4.9
178.07701	1.6
179.07173	0.7
179.08542	4.2
181.06412	1.3
181.08598	1.9
182.07254	0.9
183.08026	1.1
184.08812	0.7
186.43028	0.6
189.09102	75.8
190.09532	3.0
192.09367	1.0
193.06468	1.1
194.07246	0.8
194.42366	0.7
195.08063	2.5
196.08810	1.6
197.06033	1.3
197.09529	1.1
203.10684	2.4
206.07295	0.7
207.08063	4.7
207.10159	12.1
207.11909	1.1
208.08578	0.9
209.05962	1.0
209.09537	1.5
210.06760	2.0
211.07500	2.7
212.08170	0.9
217.04996	1.6
217.10162	0.8
218.05728	2.4
220.08894	1.2
221.05920	1.0
221.09552	0.7
223.07539	1.7
224.08311	3.3
225.09120	4.4
227.06999	1.1
227.10703	2.5
235.07509	7.1
235.11282	2.2
236.08186	1.0
237.08987	1.1
238.09967	0.9
239.06979	1.2
239.10661	4.1
241.05124	0.7
241.08296	0.9
245.09625	0.8
247.07271	1.1
247.09662	16.4
248.10216	1.0
252.07819	2.5
253.08614	5.0
253.12204	2.4
254.09390	1.4
255.06392	1.3
255.10114	2.8
256.07269	2.2
257.08130	1.4
263.10712	2.4
265.08722	1.1
267.10120	8.8
267.13797	1.7
269.08044	2.8
270.08844	1.8
272.10498	2.3
280.10812	0.8
281.11719	1.8
284.10458	3.0
285.11197	31.9
286.11487	2.1
287.12668	4.5
295.13263	2.7
311.40451	0.7
313.10739	1.4
313.14294	16.7
314.14526	1.7
316.05664	1.3
331.04343	1.1
331.08301	8.9
331.11978	1.7
331.15338	23.4
332.08365	0.7
332.15686	2.8
350.53793	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52513	1.5
55.01854	1.7
57.74081	1.4
70.14168	3.0
70.14555	2.8
70.94529	1.3
72.37684	1.3
79.05500	4.1
81.07064	1.6
83.04987	2.4
91.05474	33.8
94.04179	5.7
95.04974	8.0
98.98458	10.1
103.05495	4.8
105.03426	1.9
105.07027	4.8
107.04948	5.6
109.06531	4.6
109.50270	1.4
111.04420	2.0
114.13780	1.4
115.05460	3.4
117.07053	1.8
119.04944	19.7
121.06489	7.4
122.03667	7.3
128.06241	5.7
129.06998	17.1
131.04936	6.0
131.08597	1.4
133.06532	2.5
134.03543	1.6
135.08014	6.3
136.05182	3.1
137.05968	87.0
138.06316	3.0
141.06964	1.5
143.04893	2.5
144.05595	1.4
145.06450	3.6
146.03615	1.8
146.07195	1.3
147.04395	1.7
149.05994	13.1
151.03975	3.4
151.07529	100.0
152.06274	4.5
152.07904	4.0
153.07028	1.9
157.06453	11.3
161.05969	16.7
161.09573	2.9
163.07538	24.0
165.06976	11.6
165.09137	3.6
166.07683	3.4
167.07140	3.1
167.08568	17.2
168.08992	2.0
169.06487	2.8
173.05983	1.5
174.06689	7.9
175.07520	5.3
177.07045	2.0
177.09056	3.3
178.07811	7.4
179.03349	2.1
179.08409	2.0
181.06471	3.9
181.10271	1.8
182.07306	4.3
183.08017	2.1
189.09091	31.2
193.06494	9.6
193.10118	7.6
194.07246	3.5
195.08047	30.8
196.08537	2.3
197.05978	6.3
198.06631	1.5
199.07495	1.9
199.11334	1.6
203.08543	2.0
205.06531	1.8
206.07265	2.2
207.08330	1.6
207.10158	5.5
209.05977	3.2
209.09567	3.4
210.06776	10.7
211.07523	5.6
212.08250	6.6
219.08202	1.6
221.06049	9.8
221.09570	13.9
222.06436	1.5
222.09973	1.8
223.07526	9.5
224.08362	4.6
225.01849	6.3
225.05460	2.5
225.09024	11.3
227.07176	2.6
227.10658	30.6
228.00568	3.8
234.06653	1.8
235.07556	2.1
237.09113	4.1
238.06238	5.6
238.09799	3.5
239.07001	2.5
240.07729	3.1
241.08560	2.8
241.12103	1.7
245.00868	1.8
248.25157	1.4
249.09087	4.5
252.07822	1.7
253.01350	4.8
253.08540	14.0
253.12225	17.5
254.09125	2.0
255.06447	2.6
255.10149	32.2
256.10730	2.2
257.08188	1.8
267.10159	5.5
269.08078	3.5
269.11728	1.9
270.08832	2.3
271.02390	10.8
272.10281	3.1
273.00247	3.5
281.11737	4.9
285.11145	16.8
287.12747	37.9
288.13156	2.8
298.11783	2.1
299.01865	21.7
300.02164	2.7
300.99811	7.6
313.14307	9.9
316.02112	15.8
317.02771	1.9
331.04489	43.7
331.11108	2.9
331.15332	3.5
332.04868	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1878
Annotation	Carnosol
Peak:m/z	Relative Intensity
55.05510	0.7
58.95137	0.4
62.42477	0.4
67.05514	0.6
69.07047	0.5
70.01133	1.6
70.86774	0.4
78.65127	0.4
79.05499	0.6
81.07056	0.6
93.07053	0.5
98.98461	5.2
105.07072	0.7
107.08596	0.6
123.79707	0.4
130.92401	0.4
134.84442	0.4
261.14975	0.6
273.73358	0.4
276.82697	0.5
331.18781	100.0
332.19150	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	331.1878
Annotation	AM4299A
Peak:m/z	Relative Intensity
55.05516	2.2
55.95625	1.6
57.07070	2.3
67.05486	2.6
67.51553	1.8
68.63050	1.7
69.07046	2.5
69.64521	11.4
75.40773	1.8
78.39384	1.8
79.63384	2.0
80.21884	1.6
81.07036	4.7
83.08613	1.8
91.05476	2.7
93.07027	3.8
95.08587	2.8
98.98464	23.5
107.08616	3.1
119.08569	3.6
145.10133	2.3
169.06294	1.9
176.98970	2.5
180.95343	1.7
259.12277	1.9
262.11578	2.6
313.17728	60.0
313.21124	2.8
314.17902	4.7
331.11661	3.6
331.18768	100.0
332.19107	7.5
332.31488	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1905
Annotation	Dicyclohexyl phthalate
Peak:m/z	Relative Intensity
55.05499	1.6
57.07050	1.0
58.62845	0.7
62.56229	0.6
67.05502	4.3
68.30366	0.7
68.46507	0.8
68.99812	1.0
69.03408	0.8
69.07072	9.0
69.29700	5.3
70.06579	0.8
71.04983	0.8
79.05471	3.1
81.07063	10.3
83.08600	0.9
91.05466	3.0
93.07050	6.7
95.04939	2.0
95.08585	2.8
97.10184	1.1
98.98467	5.3
105.07018	2.8
106.08663	0.8
107.04946	1.3
107.08598	6.0
109.06525	1.8
109.10165	6.3
113.05987	2.3
117.07011	1.6
119.08578	1.9
121.06506	5.4
121.10136	2.2
123.04400	0.6
123.08070	0.8
123.11722	4.1
129.07002	1.0
131.04874	1.0
131.08572	1.0
133.06480	1.4
133.10117	1.9
135.08052	2.2
135.11687	5.1
137.05963	1.3
143.08589	1.3
145.06483	1.5
145.10123	1.3
147.04387	0.8
147.08041	2.4
149.05954	3.0
155.08575	0.9
157.06453	0.9
157.10069	1.4
159.08029	1.7
159.11693	1.2
161.05971	2.3
161.09584	4.0
162.06712	1.3
163.07561	6.6
171.07961	0.9
173.05995	2.0
173.09625	1.0
175.07558	5.3
175.11153	3.1
177.05493	2.0
177.09018	0.9
178.06253	1.4
179.07007	1.9
185.09598	3.1
187.07552	2.4
187.11157	1.4
188.08336	3.6
189.05531	1.3
189.09099	5.4
191.07045	18.7
197.08122	2.0
198.06847	0.9
201.09033	0.9
201.12686	1.6
203.06995	1.5
203.10689	16.6
204.07878	1.3
204.11137	0.7
205.08577	2.2
209.08084	17.1
210.08444	0.8
211.11143	0.9
213.09085	2.5
214.09898	2.3
215.07057	2.8
215.10634	1.6
216.07761	1.3
217.08597	1.4
221.08275	0.9
223.09647	2.9
227.06908	1.6
229.08588	2.6
229.12173	4.5
231.10175	53.9
232.10489	3.1
233.11710	1.2
235.09703	0.9
242.09421	2.6
243.10188	1.5
245.11673	0.8
247.09576	1.2
249.11229	100.0
250.11536	4.2
251.12683	3.3
257.11743	24.5
258.12030	1.3
261.11130	1.5
271.13251	0.7
275.12784	38.7
276.13211	1.5
313.18048	5.8
330.33643	2.4
331.19046	65.9
331.33945	3.7
332.19388	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	331.1902
Annotation	Aissatone
Peak:m/z	Relative Intensity
53.03923	0.6
55.05513	5.8
57.07061	0.8
58.58384	0.4
60.79544	0.4
63.73655	0.4
67.05502	3.7
68.99784	0.8
69.03423	0.6
69.06717	0.6
69.07068	8.7
69.35639	1.4
69.36067	1.6
69.74085	0.4
71.04991	0.6
72.12010	0.4
79.05487	2.1
81.07056	9.6
83.04993	0.6
83.08603	2.2
85.06535	0.5
87.95199	0.4
88.07606	0.7
91.05468	1.7
93.07043	6.8
95.04400	0.4
95.04973	1.0
95.08593	3.1
97.10165	3.1
98.23311	0.6
98.98470	2.9
105.07014	2.1
107.04933	0.6
107.08585	6.6
109.06519	0.8
109.10154	6.3
111.11658	0.4
113.05984	1.5
117.07014	1.4
119.08559	1.2
121.06503	6.4
121.10128	1.2
123.04427	0.7
123.11695	2.4
129.06987	0.8
131.08557	1.0
133.06485	0.9
133.10092	0.6
135.04362	0.5
135.08058	2.5
135.11684	6.2
137.05949	1.0
143.08539	0.5
145.06465	2.1
145.10121	0.6
147.08012	1.1
148.05238	0.5
149.05969	4.8
149.13266	0.5
151.07559	1.0
154.71263	0.4
159.08057	1.1
159.11713	0.6
161.06012	0.8
161.09599	0.6
163.03935	0.4
163.07541	11.0
164.07944	0.4
169.06458	0.5
169.10132	0.5
173.05991	2.6
173.07289	0.3
173.09579	0.8
175.07536	2.2
175.11180	0.8
177.05446	2.9
177.09071	1.6
177.12740	0.7
178.06242	2.2
179.07030	2.1
183.11798	0.6
185.09641	0.4
187.07504	2.6
187.11203	1.4
188.08308	0.5
189.09081	2.3
189.12779	0.9
191.07028	35.4
192.07387	1.1
197.05905	0.5
197.08069	1.0
197.09685	0.6
199.07474	0.4
201.09082	1.1
201.12694	1.0
203.07021	1.3
203.10710	2.9
205.08597	5.1
205.12125	0.5
209.08078	25.2
210.08430	0.7
211.11185	0.8
213.09149	1.0
214.09885	1.0
215.07011	7.8
215.10532	2.1
217.08592	3.1
219.10103	1.2
223.09584	3.0
229.08611	3.6
229.12199	2.2
230.09224	0.5
231.10152	6.7
233.08054	4.9
233.11766	1.7
235.09714	2.2
237.11232	0.9
239.10641	0.8
242.09430	1.4
243.10161	1.8
243.13852	0.5
245.11737	1.7
247.09653	1.9
249.11278	3.9
251.12773	2.4
257.11728	16.0
258.12329	0.9
261.11237	1.6
263.12836	1.0
270.12363	0.5
271.13202	2.6
275.12756	14.8
276.13113	1.0
285.18375	0.7
289.14536	0.9
295.16953	0.7
313.17969	21.7
314.18246	1.5
330.33575	0.9
331.19012	100.0
331.22290	5.1
331.34027	1.4
332.19345	7.2
332.22870	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.211
Annotation	oscr#17
Peak:m/z	Relative Intensity
55.05507	50.8
67.05489	13.0
67.93575	4.1
69.03412	6.3
69.07058	14.9
69.79645	13.7
69.80051	8.2
75.13811	3.5
79.05482	11.5
80.05431	4.2
80.51378	3.5
81.07051	14.5
82.76351	4.1
83.04934	4.7
83.08608	48.4
85.06561	4.6
91.05478	5.4
93.07048	7.2
95.08604	8.2
97.10160	52.7
98.98459	34.8
107.08599	22.6
109.10158	4.3
111.08064	8.3
121.10183	4.5
125.09629	63.6
126.10013	4.8
135.08012	6.5
139.11166	4.3
143.10634	8.9
153.09077	10.1
157.08665	7.0
171.10089	9.0
175.03911	13.7
175.09653	14.7
187.03932	3.7
189.11192	100.0
190.11613	4.4
247.09653	7.5
331.11511	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	331.2477
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
53.03947	2.0
53.44758	1.2
55.01866	1.5
55.05511	11.0
65.03976	1.4
67.05504	24.5
69.07066	11.1
69.82611	6.9
69.94763	1.3
71.04990	5.9
79.05488	15.2
81.07047	22.0
83.04972	4.3
83.08627	3.8
85.06538	4.5
91.05473	14.1
93.07046	18.5
93.28581	1.3
95.04967	3.5
95.08604	23.5
97.06515	3.5
97.10200	7.8
98.98465	100.0
100.98868	3.5
103.05470	2.4
103.43710	1.5
105.07028	7.8
107.08575	13.8
109.06481	1.5
109.10159	7.3
111.08035	1.7
111.43081	1.6
113.09650	3.3
116.99495	2.4
117.07030	2.2
119.08582	7.4
121.02861	2.4
121.06494	2.6
121.10143	15.5
123.08047	1.8
123.11684	2.3
125.06028	1.7
125.09656	5.4
128.06264	1.6
129.07027	3.0
131.08568	4.6
133.06509	1.6
133.10089	4.1
135.04475	1.6
135.11684	15.0
137.05981	6.6
139.11139	4.2
141.06982	1.9
141.44363	1.3
143.08572	1.8
145.10115	2.8
147.11703	2.2
149.05960	2.2
149.09595	1.5
149.13271	3.6
151.07541	3.2
152.06219	1.7
153.06966	4.9
155.08542	2.1
157.06499	5.5
157.10165	2.4
159.11707	3.5
161.05978	1.7
163.11234	1.5
165.06966	8.1
167.04865	1.5
167.07140	3.3
167.08621	2.5
168.05753	4.1
169.06464	2.1
171.11754	2.1
173.13333	1.8
174.99222	4.1
176.98903	5.4
177.05508	2.3
180.05716	2.1
181.05099	1.7
181.06494	8.8
182.07234	3.5
183.04396	1.7
183.08038	4.8
185.06013	4.1
185.11716	3.6
185.13242	1.6
189.11226	2.6
190.40277	1.6
193.08733	1.8
195.13773	1.6
196.05107	2.5
197.05984	6.1
198.06737	4.3
199.07478	3.5
207.04356	1.7
209.06012	3.5
210.06703	4.2
211.07553	9.0
212.08372	2.9
213.05447	4.5
213.08992	1.7
214.06256	2.8
221.05977	1.6
223.07538	2.9
225.05420	2.3
225.09099	3.2
226.06450	2.3
227.07083	2.9
228.07753	4.1
230.05574	1.8
238.06197	3.0
239.07022	2.6
240.07732	1.9
241.04980	2.7
241.08577	2.8
241.19331	1.6
242.05879	1.6
243.06595	3.1
243.10081	2.6
245.08032	1.9
245.13921	2.1
255.06404	2.9
256.07224	2.9
257.08005	2.1
259.20563	6.6
266.82034	1.6
271.09644	2.9
272.10364	1.9
273.07483	2.2
277.21579	18.8
278.21890	2.1
288.09982	2.0
295.22699	5.1
299.01889	2.0
299.09146	5.4
313.23874	2.9
316.09164	1.8
331.04483	6.4
331.11731	65.5
331.18240	2.4
332.12091	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	331.2478
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
53.03921	2.9
55.01869	4.6
55.05510	29.0
55.20039	2.2
56.58066	2.1
57.03430	2.5
57.07072	3.9
60.59605	2.1
62.32683	2.0
63.80553	2.2
67.05506	20.4
69.03429	4.6
69.07067	44.3
69.85065	2.6
70.38573	2.3
70.64128	5.2
71.05006	3.7
79.05489	13.6
81.07051	30.5
83.04984	2.6
83.08608	20.5
85.06534	4.8
87.04482	5.4
87.68970	2.4
91.05466	4.7
93.07047	21.1
95.04954	2.5
95.08598	24.1
97.06542	8.3
97.10160	23.3
98.98461	100.0
100.98890	3.0
105.07015	7.4
107.08595	16.7
109.06538	3.2
109.10142	13.4
111.08064	2.6
111.11720	3.3
116.99521	4.0
119.08604	7.5
121.04460	3.5
121.06523	2.8
121.10130	20.4
123.11715	5.0
125.05975	4.2
125.09628	17.9
131.08604	3.0
133.10081	6.3
135.08070	4.0
135.11667	7.2
137.09624	2.8
139.11174	33.4
140.11339	2.6
143.29582	2.6
145.10211	3.7
147.11703	3.7
151.07620	4.7
157.12253	8.8
159.11714	4.0
161.13292	3.7
171.10262	2.4
174.99205	3.0
176.98962	6.1
183.95813	2.4
187.14815	3.8
189.11226	24.3
193.15877	2.6
197.13391	2.7
211.07538	2.6
241.08398	2.1
271.09885	3.5
277.21689	11.5
295.22601	29.6
299.09100	2.7
313.21616	3.8
331.11826	14.1
331.18674	8.0
331.22803	8.6
332.22638	3.9
332.31180	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	331.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.5
55.01868	1.4
55.05512	2.6
57.03448	1.0
57.07059	1.0
64.82970	0.8
65.03940	2.3
67.05506	7.1
69.03424	1.1
69.07062	6.0
69.17753	6.0
71.04977	1.4
78.04304	0.8
79.05488	7.1
81.03425	1.4
81.07053	8.8
83.01347	0.7
83.04996	0.9
83.08630	1.3
83.10416	0.6
85.06535	1.1
86.51373	0.7
89.03288	0.7
91.05472	9.8
92.02618	1.6
93.03386	0.8
93.07034	7.7
95.04985	1.9
95.08607	4.7
97.06506	1.7
97.10142	1.1
98.22524	1.4
98.98467	15.8
103.05452	6.2
105.07021	7.6
107.04972	5.1
107.08589	5.4
108.14500	0.8
109.02924	1.0
109.06525	2.4
109.10145	2.3
109.61462	0.8
111.04472	1.5
111.08097	1.0
115.05474	0.9
117.07011	2.3
119.04954	3.7
119.08603	4.8
121.02905	1.7
121.06506	1.9
121.10126	6.0
123.04441	2.2
123.08093	4.7
123.11729	3.8
125.05987	3.4
125.09628	1.1
128.06235	1.3
129.07066	1.4
131.04935	4.0
131.08559	2.2
133.06458	3.0
133.10101	2.4
135.04420	1.4
135.08041	2.0
135.11682	3.7
137.05969	17.6
137.09618	1.1
138.06343	1.4
139.03900	0.9
140.04678	1.3
141.06970	0.9
143.08588	2.2
145.06485	1.5
145.10114	1.3
147.04356	5.2
147.08066	2.3
147.11668	1.3
148.05251	0.8
148.08432	0.9
149.02469	0.8
149.05992	3.4
149.09612	2.1
151.03906	11.1
151.05054	1.3
151.07527	7.6
152.06203	1.4
153.05466	5.7
153.06982	2.1
153.12743	1.4
157.06476	1.4
159.11606	1.5
161.05951	8.1
161.09612	1.0
161.13277	1.3
163.03976	1.1
163.07549	6.5
164.08318	2.1
165.05504	3.5
165.06985	2.4
165.09128	3.8
167.03397	24.4
167.04826	1.3
167.07045	1.1
167.08508	1.0
168.05656	0.8
169.06522	2.2
171.08078	1.6
171.11711	1.1
173.13231	1.0
175.07600	1.0
175.14792	1.5
176.98953	1.2
177.05511	3.8
177.09106	1.8
178.09923	8.1
179.03406	2.9
179.07028	7.1
181.04979	4.8
181.06425	1.7
182.07237	1.3
183.08090	1.5
185.05911	1.9
189.05409	1.2
189.09109	5.1
191.07050	1.1
193.04907	0.9
193.08678	1.6
195.07983	1.2
197.04425	0.8
197.06015	1.8
198.06750	1.1
207.06538	3.0
207.10202	1.0
210.06752	1.5
211.07582	3.1
212.08125	1.0
213.05481	2.1
214.06201	0.9
215.06940	1.6
217.04942	2.3
223.07538	1.1
225.05461	0.9
225.09076	2.0
226.06317	1.0
227.03506	1.0
227.06940	1.0
227.10561	0.9
228.07651	1.0
231.06514	4.1
238.06087	1.1
239.06992	2.7
241.19525	1.7
242.05783	3.2
243.06520	5.7
245.04509	1.5
253.08586	2.3
259.06061	2.8
259.20584	2.5
260.06714	3.0
271.05908	2.0
271.09647	1.9
277.21634	10.3
285.07764	1.8
285.11136	2.2
287.05475	3.8
287.12811	0.9
288.06259	7.5
289.07480	0.8
289.10699	4.7
295.22653	4.2
299.05460	3.4
299.08798	0.9
313.07266	0.9
313.10608	3.0
313.14276	2.2
316.05737	22.8
316.09293	1.8
317.06171	2.5
331.08087	100.0
331.11749	22.5
331.16003	2.4
332.08475	9.5
332.12082	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.4
55.05286	1.3
55.05515	9.7
56.72986	1.2
56.77802	1.0
57.03427	1.7
59.04979	1.2
65.03939	1.6
67.05499	23.9
69.07066	10.1
69.79804	6.7
71.04979	5.8
76.89922	1.4
79.05493	15.1
81.07050	21.4
82.37230	1.2
83.04958	1.6
83.08614	3.7
85.06528	4.6
86.58975	1.3
91.05476	13.6
93.07041	16.6
95.04955	2.0
95.08606	24.7
97.06515	3.7
97.10168	7.0
98.98461	100.0
99.08092	2.3
100.98862	1.6
103.05460	3.3
103.56399	1.4
105.07028	7.6
107.04964	3.3
107.08566	11.0
109.06512	2.5
109.10149	8.3
111.08036	1.8
113.09620	2.2
116.99473	2.9
117.07016	1.4
119.04962	2.9
119.08581	4.0
121.10141	18.8
123.11697	2.9
125.09612	2.4
129.06996	2.7
131.04956	2.6
131.08575	4.1
131.10686	2.0
133.10172	3.5
135.07951	1.5
135.11687	11.1
137.05960	7.4
139.11179	4.3
141.06987	3.2
143.08546	1.7
145.10133	3.4
147.11674	5.2
149.05994	2.8
149.09492	1.5
149.13210	3.0
151.03918	1.7
151.07527	2.9
152.06224	2.6
153.06982	6.0
155.08557	2.6
157.06490	3.4
157.10098	2.4
159.11719	2.5
163.07538	3.0
165.06981	10.7
165.12714	1.7
167.07109	1.6
167.08490	2.5
168.05684	4.7
169.06461	1.7
169.10136	2.4
170.07253	2.5
171.11711	1.7
173.11867	1.9
174.99168	3.1
176.98898	8.2
177.05391	3.0
177.12744	1.9
179.03415	2.3
179.07109	1.8
181.06490	7.5
182.07224	3.8
183.08009	5.3
185.05962	4.2
185.11783	1.7
185.13219	1.7
189.09108	1.8
189.11153	1.6
194.07285	1.5
196.05154	3.3
197.05888	3.9
197.09531	1.8
198.06755	2.1
199.07523	2.7
203.12700	1.9
209.05960	3.8
210.06712	5.6
211.07576	7.4
212.08223	2.2
213.01619	1.5
213.05525	6.7
213.08974	1.6
214.06212	2.2
215.07057	2.5
223.07442	2.0
225.01878	6.5
225.09097	2.5
226.06219	1.8
227.07063	4.4
228.00510	4.3
228.07780	5.0
230.05766	1.5
238.06155	3.7
239.06848	3.7
240.07628	1.8
241.05023	2.0
241.08516	2.6
241.19394	1.4
242.05740	2.2
242.09209	1.4
243.10298	2.9
245.08047	1.8
246.57549	1.4
253.01291	4.9
253.08568	2.7
256.07227	1.9
257.08267	2.2
259.20486	5.4
267.06320	1.7
271.02423	9.3
271.09686	4.5
273.00378	4.5
273.07590	1.8
277.21588	19.1
283.99399	2.5
285.07544	1.4
285.18228	1.4
295.22717	5.3
299.01834	20.1
299.09064	3.3
300.02438	1.8
300.99863	5.0
302.11725	1.4
303.12195	1.7
313.10791	1.9
315.05002	3.1
316.02151	11.6
316.05377	2.1
316.09219	1.8
331.04572	39.1
331.08359	5.5
331.11713	61.5
331.14877	2.3
332.04852	2.7
332.12177	7.8
340.43100	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2478
Annotation	9,12,13-TriHOME
Peak:m/z	Relative Intensity
55.05514	9.9
59.29185	1.6
60.04526	5.4
67.05495	13.2
69.07072	11.5
71.32707	2.2
79.05486	10.9
80.05883	1.6
81.03418	2.0
81.07057	16.6
83.04988	2.6
83.08624	7.1
91.05485	9.0
91.31235	1.5
93.07039	11.9
95.04966	2.1
95.08610	14.0
97.06533	3.8
97.10165	4.6
98.39379	1.5
98.98468	100.0
100.98896	2.3
103.05515	1.5
105.07044	9.6
107.08595	6.9
109.06548	1.6
109.10175	6.4
111.08071	3.3
115.05502	2.4
116.99460	2.5
119.08592	3.9
121.06514	4.5
121.10129	8.7
123.04451	1.9
123.08086	6.4
123.11663	2.6
125.09660	5.0
129.07004	2.0
131.04939	1.7
131.08618	2.7
133.10147	4.9
135.08141	2.4
135.11722	7.1
137.05991	5.9
137.09610	2.8
139.07587	3.6
139.11201	3.4
140.07910	2.0
141.06978	2.7
144.02753	1.5
145.10133	4.0
147.04350	2.5
147.11739	2.8
149.05937	1.8
149.09645	2.0
151.07579	4.2
153.07025	2.9
155.08632	2.0
156.10190	3.0
157.06451	1.8
157.10532	3.5
159.11703	1.9
161.06038	2.7
163.14832	2.0
165.07043	6.0
167.04890	1.6
168.05707	2.2
169.06517	2.9
174.99234	4.1
176.98982	4.9
177.05534	2.2
177.09184	1.9
179.08466	1.6
181.06488	3.8
183.08072	5.1
185.06007	3.8
193.08682	1.6
193.12308	1.7
194.10284	1.8
195.08054	2.0
197.05949	3.4
198.06781	2.3
199.07481	2.1
200.08365	1.7
207.04434	2.5
209.05980	2.5
210.06778	3.7
211.07564	6.5
212.04681	1.9
213.05309	2.1
214.06140	2.0
225.09138	2.5
226.06131	2.2
227.07147	2.7
228.07791	2.9
231.21123	2.1
238.06311	3.9
239.06937	3.3
241.08612	2.4
241.15573	1.7
241.19464	2.2
249.22012	1.9
252.07762	2.1
255.06662	2.2
256.07227	3.2
259.20663	2.7
271.09869	2.0
272.10474	1.5
277.21506	11.1
295.22668	6.1
299.09189	2.3
313.21988	4.2
316.09180	2.4
331.11771	46.5
331.14816	2.2
331.18823	3.2
331.22781	2.6
331.26657	5.8
332.12070	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	331.2477
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
55.01860	4.8
55.05511	12.4
57.03431	2.8
57.07073	4.3
65.03938	2.7
67.05499	40.3
69.06753	3.2
69.07066	36.7
69.55013	6.0
69.55423	7.6
71.04970	5.5
79.05489	30.5
81.03400	4.0
81.07049	45.9
83.04959	4.4
83.08578	7.5
85.06509	2.6
91.05473	25.6
93.07040	39.9
94.35947	2.1
95.04964	6.0
95.08604	36.2
97.06535	12.9
97.10131	3.7
98.23270	4.5
98.98460	100.0
100.98868	2.6
103.05452	4.1
105.07035	23.8
107.04988	4.8
107.08593	25.1
109.06483	7.2
109.10142	9.4
111.08061	3.7
111.11703	3.2
117.06971	4.6
119.04925	4.0
119.08585	20.3
121.06512	4.1
121.10143	32.6
123.08057	21.7
123.11700	13.3
125.09608	2.4
128.06142	3.0
129.07018	3.4
131.04907	2.3
131.08536	10.3
133.06502	2.8
133.10069	8.5
135.08012	7.5
135.11691	16.6
137.05974	15.4
137.09605	9.4
137.13234	8.3
139.07529	2.5
139.11168	8.1
141.06932	2.2
143.08545	3.3
145.10085	6.0
147.11661	4.2
149.05930	5.1
149.09581	6.6
149.13228	4.7
151.07527	15.1
152.06230	3.1
153.06921	5.1
153.09050	5.7
153.12718	8.4
155.08546	2.4
157.06458	3.7
157.10097	4.5
157.12201	3.0
159.11765	5.0
160.94724	2.5
161.09546	2.6
161.13181	5.7
163.07515	3.1
163.11006	2.3
165.07010	8.9
167.03340	3.7
167.07036	6.8
168.05705	6.7
171.11659	5.4
174.99196	3.4
175.11238	2.9
175.14807	8.8
176.98914	8.2
177.05371	3.0
181.06453	9.0
182.07205	4.1
183.08015	7.1
185.05975	6.4
185.13292	2.7
187.07587	2.2
189.09053	2.9
189.65459	2.1
193.15732	2.8
195.08040	2.3
196.05145	2.9
197.05879	4.8
199.07487	3.5
205.67145	2.3
209.05978	3.2
210.06784	5.5
211.07542	10.6
213.05386	6.8
214.06068	4.2
217.19478	3.0
225.09172	3.5
226.06297	2.6
227.06912	5.0
228.07809	2.6
231.21153	2.6
238.06192	3.9
241.04921	2.8
241.19530	12.2
243.10155	2.8
249.22194	2.6
253.08525	4.1
256.07260	5.6
257.07925	5.5
259.20517	11.0
271.02353	2.8
271.09552	5.2
273.07465	3.3
277.18600	2.9
277.21582	46.4
295.22672	22.2
299.01752	7.2
299.08984	6.9
313.10791	3.0
313.23715	3.9
316.02139	3.9
316.05542	5.5
316.08902	3.0
331.04370	16.3
331.08060	16.0
331.11685	86.4
332.12006	4.4
350.88272	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	331.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	7.6
57.03432	4.0
57.07077	60.8
58.07409	2.7
67.05506	14.0
69.07079	9.5
70.06583	7.5
70.83954	2.3
70.84289	1.2
71.06915	1.9
71.08631	35.7
72.08990	2.0
75.04477	2.1
79.05491	3.6
81.06576	1.2
81.07056	22.4
83.08616	14.1
85.10179	21.5
88.07626	11.6
89.07966	1.3
91.05492	1.7
93.07058	2.9
95.08027	2.3
95.08607	30.4
95.09219	1.6
95.47830	1.1
97.10159	8.7
98.98458	10.4
99.11736	1.8
102.09186	3.8
103.07640	1.0
105.07017	1.9
106.08657	5.0
109.10156	15.3
110.10499	2.3
111.11750	1.1
119.08601	1.4
123.11713	6.0
125.13314	1.3
127.66756	1.2
133.10103	1.6
135.11682	1.4
137.13272	2.7
173.11775	2.4
239.23734	9.9
243.10043	1.4
257.24777	5.0
261.11310	2.3
313.27374	29.1
313.32712	5.9
314.27652	2.4
331.19022	2.6
331.33990	100.0
332.34332	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	331.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	9.7
57.03449	3.6
57.07077	73.5
58.07402	2.0
62.43628	1.5
67.05157	2.5
67.05502	27.0
69.07066	14.7
70.06583	9.5
71.04991	2.3
71.08630	47.0
71.32307	1.7
75.04483	3.1
79.05461	4.2
81.06627	2.7
81.07060	32.5
83.08621	21.6
85.10178	25.4
88.07626	12.3
89.07967	2.4
91.05450	3.9
93.07050	8.5
95.08604	49.4
97.09591	2.2
97.10158	10.5
98.97831	1.9
98.98466	28.1
99.11716	1.6
100.98878	1.6
102.09172	2.7
105.07011	5.4
106.08658	7.5
107.08588	5.4
109.10161	18.2
111.11740	2.1
119.08593	2.3
121.10172	9.5
121.75365	1.8
123.08022	2.9
123.11726	5.7
131.08553	2.0
133.10104	2.7
135.11693	2.6
137.05983	2.4
137.13242	4.0
139.82903	2.0
145.10103	2.1
147.11716	1.9
151.48845	1.7
159.08107	2.9
159.11624	2.5
163.07529	2.6
163.11169	2.2
176.98886	2.7
177.09055	1.8
191.07008	5.0
192.07889	2.9
197.08083	13.3
205.08632	5.5
221.22635	2.7
223.09811	2.0
239.23659	10.3
257.24768	5.8
271.13339	1.8
313.17953	4.3
313.21652	2.0
313.27399	41.5
313.32953	6.2
314.27621	2.3
331.11578	3.0
331.19058	15.0
331.22598	3.5
331.26147	6.1
331.30469	3.4
331.33966	100.0
332.33987	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	331.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96634	1.4
55.05514	13.1
57.03427	5.3
57.07075	100.0
58.07408	3.6
67.05502	24.2
69.07066	17.2
69.12626	13.4
69.85523	1.2
70.06595	12.1
71.08629	61.0
72.08950	1.7
75.04469	2.2
77.16434	1.5
79.05468	3.0
81.07053	34.1
83.08622	20.8
85.10184	34.8
88.07627	15.2
89.06055	1.7
89.07954	3.5
89.42355	1.3
91.05480	3.5
93.07019	4.8
95.08607	48.2
97.10170	10.7
98.98462	20.6
99.08088	1.5
99.11738	1.5
102.09177	2.1
103.07600	1.3
105.07065	2.9
106.08656	4.8
107.08512	1.4
109.10160	22.6
111.11675	2.4
119.08540	2.8
121.10099	3.2
123.11700	10.3
125.13226	1.9
137.13249	4.0
145.10086	1.3
151.14815	1.4
164.30661	1.3
165.16312	1.3
182.57370	1.4
197.08064	5.3
197.93776	1.6
239.23665	13.8
243.10088	1.5
244.20607	1.2
257.24802	5.6
313.27365	41.1
313.32935	6.3
314.27740	2.5
331.33969	91.4
332.34372	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
54.92819	0.7
55.01873	1.2
57.03437	1.7
60.42323	0.7
61.02922	1.3
66.86597	0.6
67.90607	0.9
69.03416	2.6
69.50403	2.2
69.50815	1.8
70.06615	0.8
74.82346	0.8
79.05494	3.8
81.03409	1.3
83.16015	0.6
84.08131	0.8
85.02895	11.4
91.03961	0.9
91.75584	0.7
94.78351	0.7
95.04960	2.9
95.08515	0.6
97.02883	2.9
98.98472	9.5
99.04454	1.1
107.04950	100.0
108.05273	2.8
108.08121	1.5
109.02870	1.0
117.07071	0.9
123.04389	0.7
127.03912	1.5
129.44249	0.7
135.04407	21.2
137.05948	0.9
145.04967	2.1
152.07104	1.6
153.01912	1.1
153.05461	52.5
154.02171	0.7
154.05794	1.4
163.03931	1.1
173.12881	1.0
176.98781	0.8
179.03426	1.7
180.03752	2.2
181.04929	1.2
287.01898	1.9
305.02750	0.9
332.12900	1.2
333.02451	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1336
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
53.03955	0.7
57.03436	1.5
61.02924	1.7
61.07058	0.4
64.37624	0.5
65.03914	0.8
67.05503	2.6
69.03424	5.4
69.90022	2.0
73.02925	2.2
79.05474	1.6
80.05059	0.4
81.03413	1.6
81.07050	0.9
85.02898	5.9
87.04465	1.5
93.05828	0.7
96.08129	1.0
97.02885	2.9
99.04440	1.0
104.10728	0.5
106.06555	5.6
108.08111	100.0
109.02894	0.9
109.08439	3.6
122.25801	0.4
123.06807	4.1
124.07584	16.5
125.07930	0.7
127.03902	1.1
134.06000	11.2
136.07568	14.3
137.08092	0.4
146.16040	0.5
152.07054	68.6
153.07463	2.5
154.08626	1.6
170.08113	8.5
251.38354	0.5
260.26340	0.5
314.12314	37.0
315.12708	1.6
330.41455	0.5
332.13367	42.1
333.13763	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	332.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96112	0.4
53.03939	0.7
53.88964	0.3
57.03420	1.3
60.05639	0.4
61.02922	2.0
65.03938	0.8
67.05495	2.8
69.03429	6.5
70.06602	2.5
70.23787	1.0
71.05005	0.6
73.02909	1.9
73.11389	0.4
79.05499	0.9
81.03416	1.7
81.07049	0.7
85.02900	7.1
87.04458	1.5
92.04992	0.8
92.05536	0.4
93.05756	0.8
94.06528	0.4
96.08143	1.1
97.02888	3.5
99.04452	0.7
106.06557	5.2
106.78529	0.4
108.08114	100.0
109.02858	0.7
109.08438	2.6
116.07117	0.5
123.06807	3.4
124.07588	17.5
125.07931	0.7
127.03912	1.4
134.06013	10.5
136.07565	14.3
137.08368	0.5
150.05530	0.5
152.07060	67.2
153.07408	2.0
154.08621	1.9
161.05556	0.5
170.05981	0.4
170.08098	7.5
171.08374	0.4
175.11972	1.4
221.00679	0.4
234.35913	0.4
291.68500	0.4
314.12317	37.0
315.12677	2.3
332.13470	46.5
332.61694	0.4
333.13849	1.8
346.88998	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89527	5.5
54.41991	6.9
55.05509	41.0
57.73017	5.9
67.05502	100.0
69.07047	30.5
69.78996	15.5
69.79385	10.0
70.06555	5.6
77.98083	5.0
79.05466	13.4
81.07050	29.7
83.04964	7.4
83.08621	29.4
84.58825	5.3
85.06554	7.2
87.04457	21.6
88.07588	5.2
91.05480	10.1
93.07026	19.2
95.08599	86.0
97.06522	8.8
97.10160	25.2
98.23251	7.6
98.98447	32.0
105.07055	8.1
107.08593	18.4
109.10149	69.1
111.08103	8.2
119.08559	8.0
121.10174	11.0
125.09601	28.5
133.10110	6.4
135.25572	6.5
137.09624	9.3
139.11188	13.6
141.09093	18.8
155.10637	10.2
157.08629	6.4
159.10153	27.6
159.11578	8.5
161.00916	5.9
163.14551	6.6
173.11688	53.4
175.09595	14.0
181.61313	6.0
189.11238	29.5
213.16130	5.9
215.17891	6.7
243.17349	7.9
251.20020	23.4
261.18454	24.4
270.27841	8.6
279.19540	22.7
297.20572	41.6
332.31430	22.6
333.16748	16.0
333.20410	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	333.0729
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26900	0.2
55.05506	0.2
58.20247	0.1
62.63660	0.1
66.38593	0.1
67.05499	0.3
69.07074	0.2
70.51765	0.1
76.94857	0.1
77.28938	0.1
81.07038	0.3
83.08614	0.2
86.68440	0.2
91.05472	0.2
93.07047	0.2
95.08618	0.5
98.98483	0.3
105.07040	0.3
107.08558	0.3
109.10130	0.2
121.10098	0.2
147.11742	0.2
182.87355	0.1
290.05469	1.6
303.06387	0.2
315.10458	0.2
315.19525	0.2
318.04935	1.7
319.05243	0.2
333.07318	100.0
334.07669	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	333.0944
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75197	7.3
53.53699	6.4
60.54066	6.7
67.05495	6.4
71.33340	11.0
83.04994	11.2
97.02874	6.5
98.97575	13.5
98.98460	100.0
109.02850	11.8
116.98629	9.7
123.04415	15.8
125.02351	7.7
125.09589	7.0
139.03850	9.6
141.01741	7.1
153.01802	38.2
158.99609	7.7
161.05916	8.0
163.03867	27.3
165.05386	8.0
167.07022	10.3
176.98909	11.3
177.00520	6.3
177.05505	8.0
181.04977	12.0
181.08517	9.1
273.69089	6.6
274.25742	6.7
306.52072	7.3
333.09119	98.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0965
Annotation	3'-Deoxydryopteric acid
Peak:m/z	Relative Intensity
52.70812	0.6
53.03948	1.6
54.83650	0.6
55.01867	2.2
58.97604	0.8
64.77243	0.6
65.03932	3.9
67.05502	1.9
69.03422	1.6
69.07056	1.5
69.11363	1.1
69.11771	5.5
79.05475	4.8
81.03409	1.8
81.07046	3.0
83.04968	0.9
85.02884	1.0
88.79503	0.6
89.03931	2.8
91.05473	37.3
92.05805	1.4
93.03374	2.0
93.07034	2.4
95.01328	0.7
95.04955	2.6
95.08603	2.3
97.02907	1.7
97.06523	0.8
97.77586	0.7
98.98462	1.6
103.05516	0.6
105.07047	0.9
107.04944	7.5
107.08574	2.3
108.02127	1.2
109.02864	2.0
109.06532	2.2
110.03642	2.2
111.04414	1.9
117.03388	2.1
117.07019	1.3
119.04932	29.1
119.08598	0.7
120.05305	1.0
121.02869	1.1
121.06512	1.7
123.04440	1.3
125.05993	11.8
125.09501	0.7
131.08646	0.6
133.06468	0.7
135.04413	16.4
135.07962	0.7
135.11742	1.4
137.02379	1.2
137.05960	19.1
138.06277	1.5
141.05440	2.3
143.08551	1.0
145.02832	1.6
147.04398	46.5
148.04720	1.8
149.05972	2.4
151.03905	57.5
151.05009	7.2
151.07492	4.4
152.04239	1.6
152.06236	0.8
152.07791	1.0
153.05470	1.7
153.06978	1.5
155.08519	1.1
161.05960	1.1
163.03891	76.2
163.07510	1.6
164.04257	2.1
165.05460	8.2
165.06989	3.7
167.07098	1.0
171.13814	1.2
179.07062	5.2
180.07904	0.9
181.04944	100.0
181.08415	2.4
182.05278	3.5
183.08026	1.0
191.03372	40.5
191.06972	1.2
192.03714	2.1
193.06360	0.7
197.05959	1.0
209.04417	23.3
209.06281	1.2
210.04834	1.0
210.06773	0.9
211.07512	2.6
220.04089	0.8
226.06200	1.5
239.07008	3.2
241.08475	1.4
243.09789	0.8
254.05791	0.9
255.06396	1.8
255.09221	0.8
269.08041	1.1
272.06830	2.0
273.07468	1.5
273.11047	0.7
283.05954	5.1
287.09122	2.7
287.12256	0.9
289.10553	1.8
297.07513	1.7
315.04913	1.1
315.08603	20.1
315.12015	0.9
316.08865	1.8
318.03616	2.3
333.05963	5.4
333.09604	36.3
333.12909	1.4
334.09976	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	333.0969
Annotation	Dalparvin C
Peak:m/z	Relative Intensity
53.00306	0.9
53.03950	1.0
55.01881	1.0
55.05505	1.8
56.05031	0.6
57.03429	0.5
65.03935	1.3
66.87032	0.4
66.90131	0.4
67.05495	0.9
68.05016	0.6
68.99783	2.4
69.03421	0.9
69.07053	0.7
69.44028	2.8
71.05000	2.1
72.08157	5.4
73.06547	1.0
79.05482	1.5
81.03423	2.2
81.07050	2.9
82.06585	0.4
83.04982	0.9
83.08610	0.4
84.04498	5.0
85.02912	3.3
85.06542	0.7
86.09698	1.7
91.05474	1.3
93.07069	1.9
95.01333	5.9
95.04956	1.4
95.08601	1.1
96.04498	0.6
97.02891	1.2
97.56414	0.4
98.98475	1.7
99.04466	0.5
102.05504	0.5
105.06992	0.8
107.04946	1.2
107.08604	1.3
109.02892	6.6
109.10149	0.4
110.09671	6.3
111.04420	1.5
115.05447	0.7
115.69353	0.4
119.04948	2.7
119.08594	0.5
121.02869	54.4
121.06445	0.7
122.03209	1.6
123.04420	1.7
123.11751	0.7
125.02356	1.0
125.05990	0.7
127.03934	1.7
128.06161	0.4
131.01743	0.5
133.06482	0.5
133.10175	0.6
135.04405	1.7
135.11682	1.8
136.07596	0.5
137.02350	3.7
137.05983	1.0
138.09143	7.0
139.03911	0.4
141.06952	0.5
141.12720	2.9
145.02856	1.5
147.04416	1.2
147.08040	0.4
149.05965	0.9
151.03928	3.1
153.01849	0.6
153.05476	4.4
153.12737	5.0
155.03391	7.1
156.10237	3.0
157.06519	0.5
163.03896	5.0
165.05467	0.4
167.07001	1.0
169.05006	1.6
169.06450	0.5
171.08044	3.2
171.13843	2.4
173.05986	0.4
174.06763	0.4
174.11264	9.7
174.57674	0.4
177.05492	0.4
179.03392	13.9
180.03706	0.5
181.05025	0.5
181.06479	0.9
197.04454	1.0
197.09448	0.4
199.07547	2.1
201.05588	0.5
202.06223	2.0
203.07016	2.2
213.05443	1.0
213.09041	0.7
215.07152	0.6
217.08595	1.3
227.07079	2.6
229.04944	0.5
231.06531	8.5
232.06795	0.9
241.08589	3.4
243.06538	6.5
243.10309	0.5
245.08087	6.6
255.06534	16.2
256.07019	1.2
257.08218	0.9
259.05936	0.5
269.08081	7.1
270.08502	0.6
272.06830	0.6
273.07571	35.1
274.07983	2.1
286.08246	0.6
287.09073	3.3
297.07571	5.9
297.18109	5.2
301.10574	0.7
309.59344	0.4
315.08688	5.3
315.19113	0.7
316.09113	0.7
333.09683	100.0
333.20328	3.7
334.10001	6.0
350.83356	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80839	0.4
59.78518	0.3
69.55880	0.6
69.56273	1.1
73.06558	0.4
83.96875	0.3
84.39789	0.3
87.61008	0.3
87.69093	0.3
98.22585	0.7
100.94829	0.4
137.01395	0.3
171.09946	2.7
177.08789	0.4
333.15179	100.0
334.15521	6.5
338.94635	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1904
Annotation	Rosiridin
Peak:m/z	Relative Intensity
61.24641	7.7
67.05492	12.3
69.68838	39.5
69.69173	6.6
71.04988	10.0
79.05493	14.2
81.03397	15.0
81.07042	26.0
85.02899	7.7
91.05476	22.0
93.07042	24.3
95.08635	7.1
98.22659	10.9
103.05486	10.7
105.07021	16.4
107.08605	21.5
109.02844	14.5
119.08602	13.9
121.06511	17.3
121.10115	10.6
123.04433	10.8
133.10081	10.3
135.11723	17.7
137.05952	41.7
139.00209	11.4
147.04462	7.4
151.03864	39.5
153.05478	7.8
153.12756	35.1
157.06398	8.7
158.85686	7.7
162.06570	8.1
167.03406	9.7
167.07060	16.8
169.01341	23.1
181.06456	9.3
181.08606	19.2
190.09195	8.4
193.66306	6.8
241.08537	7.7
245.11574	9.2
253.67195	6.8
269.67044	7.4
273.11005	10.0
287.05573	7.9
301.10669	14.1
315.05005	11.9
318.03574	12.2
333.05933	100.0
333.09305	10.3
333.13199	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	333.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37778	5.5
55.01862	8.6
55.05500	21.4
57.03432	12.4
61.02925	10.4
65.35787	5.2
65.94798	4.8
67.05496	8.6
69.03424	21.9
69.07074	11.3
70.06562	6.1
70.18447	6.3
70.18784	15.9
71.01357	7.2
71.04983	43.1
73.02911	9.9
79.05475	18.5
81.03416	8.6
81.07043	26.4
83.04993	45.5
84.18716	4.8
85.02898	60.6
91.05470	23.0
93.07043	41.6
95.04993	9.5
95.08601	15.8
97.02870	15.2
97.06523	11.7
97.42989	5.0
98.98446	26.9
99.04436	6.4
105.07024	30.5
107.04967	9.1
107.08593	37.5
109.02844	15.7
109.06523	14.1
115.05485	6.5
117.07010	12.5
119.08561	33.5
121.02824	8.4
121.06518	10.9
123.04427	9.0
127.03961	10.3
129.07036	6.1
130.06497	5.4
131.08549	14.0
133.04942	5.6
133.06506	9.3
133.10132	9.4
135.08110	14.7
135.11676	14.7
137.02306	12.8
137.06007	8.2
139.03815	6.1
141.01857	5.9
143.08508	14.5
145.04938	5.6
145.10106	9.1
147.02467	5.3
147.08040	23.2
153.05452	9.7
153.09096	9.8
153.12759	31.0
154.06488	9.0
157.07501	7.5
159.08073	7.7
161.05925	7.8
161.09502	6.2
163.03871	9.5
165.05428	6.2
165.12729	18.8
167.07050	8.3
168.08101	8.1
171.07997	6.1
171.10146	5.9
173.09601	9.7
177.12823	7.0
181.04955	9.1
181.07574	14.0
185.07175	10.0
189.12712	11.2
195.09137	10.1
196.07623	7.5
197.07098	23.5
198.07918	12.9
201.12865	7.6
209.07018	7.8
211.08711	7.0
213.06688	25.7
214.07219	6.6
222.07806	8.4
223.08630	22.6
227.08203	22.2
231.13766	6.6
241.05989	7.1
249.07567	15.3
251.08067	16.1
255.07672	7.9
259.10501	5.9
261.14563	6.3
269.09146	9.3
273.07727	9.0
279.15930	8.5
287.10349	32.1
297.08517	15.8
297.46466	6.0
301.10645	6.5
315.09760	68.5
315.12991	13.2
315.17938	12.4
316.09921	5.9
333.10690	100.0
333.14502	23.3
333.18121	6.1
334.21677	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	333.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05022	1.3
56.90943	0.6
57.07076	1.0
57.52054	0.5
58.06591	2.4
67.05498	2.2
69.03447	0.6
69.07062	1.4
69.08019	5.5
70.46059	0.7
72.08147	0.9
74.06058	1.4
75.05601	1.1
79.05489	1.9
81.07054	3.0
83.04953	0.7
83.08620	0.8
86.06072	1.4
88.03986	1.2
88.07629	11.0
91.05487	1.8
93.07053	1.7
95.04998	0.9
95.08604	1.6
96.97878	0.6
98.22605	1.3
98.98473	2.5
99.08101	0.5
103.08718	0.8
104.07067	0.9
104.27757	0.5
105.07037	2.3
107.08594	1.6
109.10201	0.6
111.04393	0.6
119.08549	1.6
121.10142	1.3
126.53623	0.7
132.10196	3.2
133.10112	0.8
135.07988	0.8
142.48872	0.6
145.10129	0.9
147.11687	0.8
155.08510	0.7
162.11195	1.0
163.11113	0.6
165.12352	1.1
166.10695	0.6
173.09506	0.7
208.28928	0.6
242.24760	9.7
259.36771	0.6
263.12756	1.2
286.27441	2.6
295.02390	0.6
315.15823	0.8
315.19421	1.4
315.23077	0.8
333.20370	100.0
333.24152	8.3
333.30759	4.2
334.20712	8.9
334.29471	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	333.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21923	0.5
54.78465	0.5
55.05507	0.6
57.07071	1.1
58.06603	0.7
67.05497	1.6
67.05835	0.6
69.07071	0.9
78.99207	0.5
81.07072	1.0
87.04440	0.9
87.22381	0.5
88.07626	3.7
93.07040	1.4
95.08601	1.6
97.06568	0.6
98.98457	2.8
107.08635	0.8
109.10173	0.9
117.07021	0.7
119.08572	1.0
121.10151	0.6
125.93639	0.6
132.10197	1.0
139.81836	0.7
145.10173	0.8
166.10657	0.6
174.05055	0.5
175.16432	0.5
180.81473	0.6
193.04854	0.7
196.06964	0.7
235.12949	0.8
242.24704	3.0
267.26160	0.6
286.27377	1.1
315.19382	1.2
315.23117	0.6
333.16730	10.5
333.20316	100.0
334.17148	0.9
334.20712	8.1
334.29495	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	333.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82748	0.6
55.05514	0.6
56.05025	2.4
57.07071	1.7
58.06590	3.5
60.04535	1.0
67.05486	0.9
67.88750	0.5
69.07048	0.7
69.29329	3.9
69.95515	0.6
71.08618	0.9
72.08133	0.7
74.06059	2.4
81.07039	1.3
86.06055	2.4
88.07624	15.6
91.05469	1.3
92.11564	0.6
93.07031	1.1
95.04937	0.6
95.08593	1.3
98.98447	1.9
104.07100	1.6
120.03141	0.7
121.10152	1.0
123.11732	0.7
132.10194	3.9
161.13141	0.7
162.11259	1.3
166.10670	1.6
173.13141	0.7
195.09918	1.8
242.24774	11.5
250.20618	0.6
254.24693	0.7
261.14865	1.0
271.15359	0.6
277.77884	0.7
286.27335	4.6
315.19492	0.8
316.28088	0.6
333.17062	4.2
333.20328	100.0
334.20825	7.4
334.29480	41.8
334.33673	1.4
342.66190	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07051	0.7
58.01416	0.5
67.05498	1.0
69.07050	1.2
79.05479	1.2
81.07043	1.9
87.04456	1.0
88.07623	2.7
91.05474	1.3
93.07011	1.0
94.43038	0.5
94.98502	0.7
95.04935	0.7
95.08605	1.0
98.23363	1.0
98.98451	2.0
100.60747	0.5
105.07029	1.4
107.08562	0.8
109.10161	0.8
111.04427	0.6
119.08563	1.2
121.10150	1.0
132.10239	0.6
157.10022	0.8
165.12601	0.7
166.10722	0.5
197.92747	1.6
204.05931	0.6
242.24797	2.1
245.15158	0.7
263.12445	0.7
277.89380	1.8
286.27411	0.8
315.19339	1.1
318.12537	1.0
333.20337	100.0
334.17032	1.0
334.20685	8.3
334.29556	6.8
345.90503	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92363	4.4
55.05512	12.1
64.15838	4.6
67.05501	19.6
69.07079	5.7
75.26002	3.7
79.05480	20.5
81.07051	22.6
83.04963	9.1
83.08641	6.7
86.23206	3.9
91.05474	15.6
93.07053	30.2
95.08598	19.4
95.16454	3.8
98.98473	15.5
105.07020	8.3
107.08597	13.6
109.10181	5.4
111.04424	6.0
119.08595	9.2
120.08145	6.9
121.10149	27.9
125.28448	3.7
126.06866	4.2
126.14420	4.1
131.08595	4.4
135.11685	8.7
167.03275	4.6
241.14389	4.5
267.72733	4.6
276.14688	4.4
285.57007	4.7
287.27481	4.6
315.19388	37.9
315.22894	8.0
333.16592	19.2
333.20313	100.0
333.24252	10.4
333.27783	19.9
333.34561	7.9
334.20612	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2632
Annotation	9,10,18-Trihydroxyoctadecanoic acid
Peak:m/z	Relative Intensity
55.05503	31.3
56.91589	10.3
67.05494	85.1
69.07056	34.8
69.70634	9.3
69.71040	53.7
73.11941	9.7
79.05496	26.1
81.07054	100.0
83.08614	11.2
91.05465	16.9
93.07030	36.7
95.08604	89.8
98.98454	17.1
105.06994	11.0
107.08609	16.2
109.10172	46.1
121.10157	22.7
123.11698	27.8
131.08463	10.8
133.10124	15.3
135.11653	16.3
149.13225	11.3
152.75676	10.0
161.13268	19.6
182.82889	10.3
243.21077	14.5
261.22116	34.7
279.23151	88.9
289.77493	10.4
298.81763	9.9
312.62704	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	334.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83429	0.9
55.01868	1.4
57.03439	2.3
61.02917	2.9
69.03423	5.8
69.21718	1.0
70.62065	2.0
73.02915	1.8
73.47461	0.9
81.03415	3.2
85.02903	26.9
89.03137	0.9
91.03934	1.6
91.05476	12.2
97.02885	7.1
98.97588	1.2
108.21959	0.9
109.02880	1.9
119.04953	7.6
127.03919	4.9
133.06517	1.1
137.05974	100.0
138.06317	2.9
145.04961	6.6
151.07544	1.0
155.07039	6.0
158.99649	1.4
163.06046	1.2
179.07042	1.5
180.08665	3.3
263.09131	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.8
60.55684	0.9
61.02929	3.9
63.27372	0.9
64.71873	0.8
69.03445	5.8
70.61970	2.5
73.02905	2.3
79.82309	0.8
81.03429	3.9
85.02905	29.6
91.03977	2.4
91.05486	10.3
97.02880	8.7
97.45419	0.9
98.97594	1.2
99.04446	1.8
103.23293	1.0
108.25530	1.1
109.02883	2.0
119.04936	7.8
123.92606	0.9
127.03929	4.4
137.05980	100.0
138.06328	3.8
145.04941	10.1
155.06998	7.7
179.07063	1.2
180.08612	4.9
217.08572	1.2
263.09222	1.3
334.15280	3.1
335.10904	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60003	0.7
53.03943	1.1
55.05511	3.5
56.96565	5.5
57.03422	1.3
61.02910	1.8
67.05499	1.2
69.03426	4.8
69.11868	4.9
70.06571	0.7
71.04980	2.3
72.04506	2.6
79.05489	2.2
80.24997	0.6
81.03407	1.5
81.07057	9.2
82.06555	0.8
83.04987	3.8
83.08605	2.3
84.08125	0.9
84.96040	2.9
85.01199	0.6
85.02901	7.3
85.06537	2.1
91.05463	1.7
93.07011	1.1
95.04948	0.8
97.02879	2.9
97.05262	0.9
98.06030	0.8
98.09707	1.3
98.23329	1.4
98.97579	25.3
98.98284	1.2
99.04442	0.8
101.06027	0.7
108.08083	1.5
109.02870	1.8
109.06521	9.1
110.97574	5.0
116.98610	12.9
119.04951	0.9
121.02847	1.0
121.06473	0.6
122.03638	1.0
123.04487	1.3
126.05477	0.9
126.09148	22.7
127.03917	3.3
127.07556	8.5
128.98605	6.5
133.74030	0.6
134.99646	3.9
136.07616	0.7
137.05983	8.0
139.03947	1.2
140.98555	1.3
143.00139	1.6
144.98080	1.1
145.04895	0.9
145.28204	0.7
146.99628	2.9
147.04428	1.1
152.98586	2.8
153.05540	0.9
154.08615	25.2
155.00191	0.7
155.05823	1.3
155.07024	15.1
155.08983	1.1
158.99649	5.1
161.01247	1.8
165.05495	2.3
170.99658	3.4
172.03699	1.9
172.09688	37.8
173.09944	1.3
177.00700	5.0
185.04216	1.0
189.00656	1.5
201.00636	0.8
215.88814	0.7
219.01793	6.0
237.02803	9.8
259.91547	0.6
260.04102	0.6
271.10513	0.8
273.12402	0.7
275.08014	3.1
279.24350	0.6
293.09067	22.3
302.12186	1.0
311.10126	2.8
316.10602	0.9
317.11203	2.6
334.08957	100.0
334.14917	12.1
335.09741	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.11
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74259	1.3
51.00859	1.3
54.93606	1.4
56.96562	22.0
64.48830	1.3
69.03399	2.2
70.75189	4.0
70.98119	7.0
76.12629	1.5
82.99837	4.0
97.01408	2.4
97.14391	1.7
98.97583	3.4
100.99131	2.7
101.00866	28.0
108.32539	1.5
110.97555	4.2
113.00851	15.4
115.02432	7.0
116.98626	1.9
118.01144	2.0
119.01904	25.1
127.02404	3.0
128.98584	3.0
129.03964	1.9
131.01903	23.3
131.05540	10.8
133.03447	5.6
137.00876	3.7
137.02965	1.6
141.70590	1.7
143.01895	78.4
144.01932	2.5
144.98070	15.4
145.03429	8.1
147.05035	2.1
149.06577	8.0
153.01891	2.3
155.01880	30.0
155.05510	4.1
156.02661	2.2
157.03442	5.8
159.05035	4.2
161.02951	54.2
162.03093	4.8
162.99118	6.6
167.05574	2.6
171.04985	2.9
173.02963	18.4
173.06590	35.4
174.06670	1.8
175.08052	1.5
177.06073	4.8
181.00270	2.1
185.02977	2.5
185.06590	35.2
186.06734	2.6
186.99203	4.7
187.08119	9.0
191.07657	9.0
197.06616	2.8
199.08124	2.0
201.06140	2.1
203.03986	12.5
203.07642	19.3
204.07785	2.2
205.00166	19.4
209.06618	2.7
215.07675	16.1
221.03195	2.7
221.05077	28.2
223.01207	18.0
227.07578	3.2
233.08694	4.4
245.04971	2.2
247.01256	8.5
257.08658	6.5
265.02237	3.7
275.09729	50.1
276.10065	5.9
293.10800	100.0
294.10974	9.6
335.02881	6.0
335.11554	60.1
336.11676	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	335.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99876	1.7
60.05651	3.9
67.05519	1.4
67.42104	1.2
69.03407	1.5
70.06588	7.3
70.37077	1.3
71.32050	1.9
82.99865	3.3
84.08167	2.8
98.98478	8.6
100.07616	3.2
101.00874	27.1
102.00990	2.4
103.42712	1.3
109.02874	1.9
110.48150	1.3
112.08705	1.5
113.00859	8.3
115.02428	3.8
119.01917	39.7
120.02041	3.1
127.02436	2.7
128.07072	6.3
129.03992	3.1
130.09782	3.7
131.01906	25.4
131.05521	11.2
133.03450	5.3
137.00842	3.0
137.02953	5.4
137.05984	3.3
138.06310	1.5
143.01891	83.7
144.02040	4.3
145.03491	8.8
147.01442	1.7
147.05069	3.4
149.03021	1.8
149.06592	10.7
153.01814	14.2
155.01889	25.4
155.05505	5.0
156.02551	2.0
157.03505	2.6
159.05037	5.2
161.02950	100.0
162.03120	4.5
167.05605	2.5
171.05101	2.1
173.02982	27.0
173.06601	33.9
174.03108	2.1
175.04480	2.6
177.06111	4.8
184.04517	2.0
185.02882	1.6
185.06573	37.3
186.06662	2.7
187.08168	3.9
191.07654	9.1
191.97122	1.6
195.00830	1.4
197.06564	1.9
199.08147	3.0
203.04010	10.5
203.07657	19.0
204.07826	1.8
209.06522	1.8
215.07603	16.2
219.07132	1.5
221.05051	21.8
222.05280	1.7
227.07674	4.5
230.10271	5.0
233.08543	6.6
245.05025	2.1
257.08643	8.0
257.97742	3.3
275.06677	1.9
275.09729	43.0
276.10098	5.2
293.10782	89.5
294.11020	10.6
312.07742	1.8
316.12338	2.0
335.11838	40.2
335.15607	9.0
336.12067	4.6
350.49969	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.4
55.05504	1.1
57.03434	1.8
57.07076	3.3
65.03939	1.4
67.05497	6.4
68.99799	1.1
69.03432	2.1
69.07069	12.2
71.04989	3.3
73.02924	1.5
79.05499	3.1
81.03426	1.9
81.07064	4.0
82.06557	1.1
83.04977	1.1
85.02911	3.1
85.06545	3.5
86.09721	0.9
87.04494	0.9
91.05503	3.3
92.05031	1.0
93.07049	2.6
94.06551	1.5
95.01347	1.0
95.04982	2.4
95.08582	5.0
96.08152	2.3
97.02903	4.5
97.06535	2.3
99.04427	0.9
104.05061	0.9
105.07067	2.1
106.06562	2.9
107.04946	1.8
108.04520	1.3
108.08091	1.0
109.02885	3.2
109.06533	1.5
109.10154	3.0
111.04463	1.4
111.08084	4.3
116.29305	0.9
119.08572	2.8
121.02884	2.2
122.06024	1.2
124.07607	6.4
126.05504	1.3
127.03922	1.6
131.07222	0.9
131.08578	1.2
136.07605	0.9
137.02393	1.4
137.05969	2.3
137.09691	4.9
138.05508	9.6
140.07048	1.3
141.64027	0.9
145.06519	1.3
145.08867	1.3
145.10109	1.5
147.05583	1.1
149.06013	1.1
149.07132	1.6
150.05511	10.9
151.03880	2.1
152.03476	2.2
155.10666	13.6
156.08109	1.1
159.10216	2.9
161.08380	1.8
161.09627	1.9
162.09149	1.7
163.03935	1.9
164.06963	1.3
166.05025	4.3
167.07152	1.1
168.06766	1.7
170.09718	1.4
172.11246	1.2
173.11755	5.1
174.09145	2.7
175.05089	2.4
178.05008	2.4
182.08218	7.7
182.09616	1.1
183.09172	2.2
184.09950	1.6
185.07072	1.3
190.12273	1.5
196.09999	3.7
197.10834	4.4
198.07808	8.4
198.09415	1.6
199.08582	1.5
199.12373	2.3
200.10788	2.3
201.06621	2.3
209.07175	1.0
209.10719	2.0
210.07869	6.3
211.08588	1.2
211.12270	2.4
212.09442	10.0
213.10194	6.9
214.08624	1.0
216.10240	1.1
218.11795	2.9
219.07639	1.2
225.10236	15.4
226.08650	3.7
227.11797	19.5
228.10457	1.7
230.08235	1.1
234.11295	1.5
240.08920	1.4
241.06047	1.4
241.09785	4.5
242.10600	1.3
243.07675	1.4
243.11281	3.3
245.12869	3.6
246.11281	3.0
253.09735	14.2
255.11292	11.5
256.08371	1.3
257.09201	3.7
259.10666	1.5
261.12384	3.6
268.08432	5.4
269.09155	3.6
271.10767	29.6
272.08975	1.7
272.11542	2.1
273.12347	17.6
281.09274	2.8
287.06973	1.8
287.10257	38.9
288.10635	2.5
289.11926	9.1
297.10284	1.0
299.10266	50.7
300.10577	3.5
305.11185	3.2
317.03128	3.6
317.11301	100.0
318.11783	6.3
335.04022	3.2
335.12314	20.7
336.12680	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.4
55.05504	1.1
57.03434	1.8
57.07076	3.3
65.03939	1.4
67.05497	6.4
68.99799	1.1
69.03432	2.1
69.07069	12.2
71.04989	3.3
73.02924	1.5
79.05499	3.1
81.03426	1.9
81.07064	4.0
82.06557	1.1
83.04977	1.1
85.02911	3.1
85.06545	3.5
86.09721	0.9
87.04494	0.9
91.05503	3.3
92.05031	1.0
93.07049	2.6
94.06551	1.5
95.01347	1.0
95.04982	2.4
95.08582	5.0
96.08152	2.3
97.02903	4.5
97.06535	2.3
99.04427	0.9
104.05061	0.9
105.07067	2.1
106.06562	2.9
107.04946	1.8
108.04520	1.3
108.08091	1.0
109.02885	3.2
109.06533	1.5
109.10154	3.0
111.04463	1.4
111.08084	4.3
116.29305	0.9
119.08572	2.8
121.02884	2.2
122.06024	1.2
124.07607	6.4
126.05504	1.3
127.03922	1.6
131.07222	0.9
131.08578	1.2
136.07605	0.9
137.02393	1.4
137.05969	2.3
137.09691	4.9
138.05508	9.6
140.07048	1.3
141.64027	0.9
145.06519	1.3
145.08867	1.3
145.10109	1.5
147.05583	1.1
149.06013	1.1
149.07132	1.6
150.05511	10.9
151.03880	2.1
152.03476	2.2
155.10666	13.6
156.08109	1.1
159.10216	2.9
161.08380	1.8
161.09627	1.9
162.09149	1.7
163.03935	1.9
164.06963	1.3
166.05025	4.3
167.07152	1.1
168.06766	1.7
170.09718	1.4
172.11246	1.2
173.11755	5.1
174.09145	2.7
175.05089	2.4
178.05008	2.4
182.08218	7.7
182.09616	1.1
183.09172	2.2
184.09950	1.6
185.07072	1.3
190.12273	1.5
196.09999	3.7
197.10834	4.4
198.07808	8.4
198.09415	1.6
199.08582	1.5
199.12373	2.3
200.10788	2.3
201.06621	2.3
209.07175	1.0
209.10719	2.0
210.07869	6.3
211.08588	1.2
211.12270	2.4
212.09442	10.0
213.10194	6.9
214.08624	1.0
216.10240	1.1
218.11795	2.9
219.07639	1.2
225.10236	15.4
226.08650	3.7
227.11797	19.5
228.10457	1.7
230.08235	1.1
234.11295	1.5
240.08920	1.4
241.06047	1.4
241.09785	4.5
242.10600	1.3
243.07675	1.4
243.11281	3.3
245.12869	3.6
246.11281	3.0
253.09735	14.2
255.11292	11.5
256.08371	1.3
257.09201	3.7
259.10666	1.5
261.12384	3.6
268.08432	5.4
269.09155	3.6
271.10767	29.6
272.08975	1.7
272.11542	2.1
273.12347	17.6
281.09274	2.8
287.06973	1.8
287.10257	38.9
288.10635	2.5
289.11926	9.1
297.10284	1.0
299.10266	50.7
300.10577	3.5
305.11185	3.2
317.03128	3.6
317.11301	100.0
318.11783	6.3
335.04022	3.2
335.12314	20.7
336.12680	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1853
Annotation	Arnicolide C
Peak:m/z	Relative Intensity
57.07073	2.6
58.06594	2.6
67.05499	2.6
69.36251	3.0
69.36655	6.0
69.73868	1.2
71.04996	53.1
79.05502	1.4
83.04977	4.1
86.06075	1.5
88.07636	11.9
88.43626	1.3
89.07951	3.6
89.50965	1.4
95.08596	3.2
98.22642	1.7
107.08603	2.6
109.10094	1.8
111.04437	3.2
121.06571	1.4
123.08098	2.9
125.09637	2.8
132.10179	2.4
133.10597	1.5
135.08043	2.3
139.03912	2.5
144.60202	1.3
149.06012	3.6
153.09120	4.1
167.07021	6.3
177.09085	2.1
191.07065	9.9
205.08649	2.3
209.08099	12.4
227.09161	22.2
242.24832	2.5
243.25134	10.4
247.13390	4.5
265.14359	100.0
266.14792	6.2
287.27716	3.0
293.17398	4.8
317.17532	3.1
335.18546	35.9
335.22540	1.9
335.29825	45.3
336.18881	5.0
336.30188	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17139	0.4
57.07075	0.9
63.72985	0.4
66.90379	0.5
67.05489	1.6
69.80278	1.6
70.12781	0.5
81.07029	0.5
88.07642	1.1
93.07056	0.8
95.04974	0.6
95.08600	0.8
98.22628	0.5
107.08570	0.6
116.22717	0.5
147.11760	0.6
178.41574	0.5
199.82690	0.5
242.24879	0.7
243.25159	1.8
317.20667	0.6
335.21896	100.0
335.29785	5.9
336.22205	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.219
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40026	0.5
55.05504	0.9
57.07070	0.7
64.37771	0.6
67.05508	3.5
69.07059	1.0
72.37678	0.7
79.05493	1.6
81.07040	2.7
86.09235	0.6
88.07627	1.1
91.05458	1.2
93.07033	2.0
95.08588	2.8
95.84621	0.8
97.06417	0.8
98.22597	1.6
101.09437	0.6
105.07033	1.9
107.08572	1.8
109.02880	0.6
109.06475	0.7
109.10160	1.3
115.69598	0.7
119.08589	1.0
121.10129	1.4
123.11660	1.0
133.10094	0.7
149.09564	0.9
151.07556	0.7
163.14885	0.8
172.76160	0.7
195.09915	2.0
197.11743	0.6
335.21890	100.0
335.29813	3.1
336.22104	6.1
336.25177	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.219
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63886	0.5
67.05504	1.1
69.11617	2.2
69.12043	3.6
81.07045	0.8
85.33855	0.6
93.06999	0.7
112.96377	0.5
117.21142	0.6
126.28687	0.5
131.69052	0.5
177.23788	0.7
195.09883	1.5
225.16716	0.7
272.95792	0.6
335.21887	100.0
336.22235	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	335.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	1.4
60.71538	0.6
67.05485	1.9
69.92449	1.3
69.92844	1.3
71.55719	0.6
74.26078	0.7
81.07044	2.3
91.05454	1.2
93.07014	1.2
95.08596	2.1
97.06522	0.8
98.79532	0.7
105.32404	0.7
119.08540	0.8
123.91969	0.7
159.78902	0.6
163.14926	0.9
208.77089	0.7
289.32794	0.7
317.20929	1.1
335.21893	100.0
336.22232	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	335.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75775	0.9
53.03934	1.8
54.28782	0.9
55.05510	6.3
57.03443	8.5
57.07072	1.5
59.22428	0.9
65.03928	1.3
67.00140	0.9
67.05505	31.2
69.07068	7.5
71.05000	1.0
72.04484	0.8
77.56059	0.8
79.05492	16.9
81.07054	30.2
83.08623	3.2
91.05482	7.4
93.07046	18.3
95.04951	2.0
95.08603	23.7
97.06542	1.3
97.10163	2.1
105.07040	6.3
105.90692	0.8
107.08595	9.5
109.06508	1.5
109.10172	10.1
111.08090	1.0
117.07055	1.7
119.08591	4.5
121.10127	8.6
123.11704	3.3
131.08572	2.9
132.09953	0.9
133.10136	3.7
135.11710	5.2
137.13287	0.9
145.10126	2.6
147.11656	3.2
149.13277	3.5
159.11694	2.7
161.13293	2.5
163.11093	1.2
163.14854	1.8
166.12971	0.9
173.13283	2.3
175.14935	0.8
178.03081	0.7
207.06616	0.8
221.11562	0.9
243.21152	2.0
244.41763	0.9
248.83847	0.9
251.12593	1.3
261.22153	4.7
262.22659	0.9
304.83401	0.9
311.14810	0.9
317.24884	1.5
335.21893	100.0
335.25821	31.2
336.22183	7.5
336.26175	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2214
Annotation	6beta,7beta-Dihydroxykaurenoic acid
Peak:m/z	Relative Intensity
50.53744	1.2
55.05502	7.4
56.16668	1.4
60.99505	1.4
63.67006	1.2
67.05499	11.4
69.07053	4.9
70.37510	1.3
71.04976	1.8
79.05481	9.7
81.07045	22.6
83.08613	2.3
91.05466	13.7
93.07035	19.5
95.04951	3.9
95.08593	17.1
97.10163	5.6
100.11270	2.1
101.98808	1.4
105.07025	17.3
107.04913	1.9
107.08595	11.4
109.06501	1.7
109.09406	2.6
109.10150	46.5
111.08057	1.8
117.06985	3.8
119.08587	14.4
121.06476	2.1
121.10136	12.8
123.08113	1.4
123.11694	3.0
127.03938	1.3
128.72998	1.3
129.06982	3.4
131.08562	17.1
133.10120	11.5
135.11678	8.8
136.06183	11.6
137.05954	3.1
137.09592	15.7
138.28917	1.4
143.08568	10.6
144.09305	2.0
145.06364	1.6
145.10091	12.2
147.08028	3.1
147.11713	8.0
148.06204	3.5
149.05965	5.6
149.09579	3.0
149.13242	1.8
151.11182	1.4
152.81560	1.6
155.08540	5.9
157.10133	8.3
159.11656	10.5
161.09537	1.9
161.13211	7.3
163.07541	2.0
163.11125	1.5
165.09007	1.5
169.10075	10.4
171.11690	8.5
173.13246	6.3
175.11191	3.4
177.12735	1.7
179.10675	2.2
182.10855	1.4
183.11670	8.2
185.13293	4.0
187.14821	4.2
189.12782	5.7
193.12239	9.8
194.12556	1.6
195.06534	2.3
197.13234	13.5
199.14865	2.7
201.16344	1.8
204.12428	5.6
205.12106	1.4
207.13858	2.2
209.16487	1.9
211.14777	6.4
213.16377	8.8
215.14340	5.1
215.17891	1.6
219.13789	1.8
225.16441	6.9
227.18037	1.5
229.19414	1.5
233.15306	5.6
241.19499	2.4
241.91982	1.4
243.17523	1.9
243.21088	9.1
253.19490	35.0
254.19966	2.8
255.20958	1.5
259.17154	1.6
259.20367	2.0
260.08072	1.5
271.20547	100.0
272.20764	6.8
289.18372	2.7
289.21588	45.4
290.21899	3.9
299.20023	21.9
305.07861	1.7
317.21078	56.8
318.21524	3.9
335.14722	2.6
335.22131	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	335.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	3.0
55.05290	2.6
55.05512	27.3
57.03439	24.5
65.03938	5.0
67.05505	100.0
69.03869	19.4
69.04288	5.9
69.07059	25.8
71.04984	3.4
79.05494	54.0
81.07056	89.1
83.04952	2.8
83.08614	7.9
91.05481	27.9
93.07044	53.7
95.08607	67.8
95.09209	3.7
97.06517	4.6
97.10171	4.1
98.22518	5.0
99.08109	2.5
103.57682	2.7
105.07032	17.9
107.08602	22.3
109.06551	2.9
109.10171	27.2
117.07001	3.3
119.08590	10.9
121.10113	18.7
123.11690	8.1
131.08536	6.8
133.10150	6.5
135.11700	8.9
145.10138	6.7
147.11678	3.8
149.13264	7.9
159.11688	3.3
161.13242	4.1
167.62251	2.6
173.13254	3.8
180.58704	2.4
244.56139	2.2
261.22141	7.3
335.25784	82.4
336.26059	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	335.2577
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03936	3.5
55.05510	18.3
57.03433	23.2
57.07060	2.8
59.27803	1.6
63.71001	1.6
65.03931	3.9
67.05502	85.8
69.07068	18.2
71.04993	2.8
74.71372	1.6
79.05490	41.1
81.07052	80.0
83.08611	7.3
85.06541	2.6
89.87435	1.7
91.05475	16.4
93.07042	44.3
94.07391	2.0
95.04967	3.3
95.08601	64.5
96.08925	2.3
97.06503	3.3
97.10128	2.6
105.07023	12.1
106.85623	2.1
107.08581	21.1
109.06528	3.7
109.10155	24.2
117.07000	5.1
119.08560	11.5
121.10149	20.2
121.99917	1.8
123.08057	2.0
123.11740	8.0
131.08563	7.1
133.10159	9.4
135.11673	11.4
145.10104	5.8
147.11670	7.0
149.13239	8.1
159.11716	4.7
161.13246	5.0
163.11325	1.9
163.14839	3.4
166.50529	1.8
173.13249	6.3
187.14848	3.9
243.21155	2.7
261.19760	1.9
261.22046	8.3
278.66556	1.7
335.25778	100.0
336.26074	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	335.2575
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
50.90030	0.8
53.03937	3.6
55.01876	0.9
55.05261	1.5
55.05511	24.1
57.03437	25.0
57.07064	2.9
57.12788	0.8
59.97411	0.8
60.30456	0.8
65.03931	3.4
67.05502	99.7
69.06717	1.6
69.07068	23.4
69.11068	6.3
71.04987	2.0
77.03870	1.1
79.05489	53.8
80.05816	1.3
81.07055	90.1
82.07380	3.1
83.04977	1.6
83.08620	8.5
85.06530	2.2
88.28732	0.9
91.05479	26.2
93.07039	52.2
94.07352	1.2
95.04984	5.3
95.08602	72.9
96.08921	1.9
97.06535	5.2
97.10173	4.8
99.08109	1.8
105.07023	15.2
107.08592	28.0
108.08875	1.2
109.06496	2.0
109.10152	29.5
111.08054	1.2
111.11714	1.0
113.09599	0.9
117.07013	4.9
119.08585	12.1
121.10134	23.2
123.08070	2.5
123.11684	9.2
125.48962	0.8
131.08563	8.5
133.10095	10.0
135.11679	16.0
137.09657	1.3
137.13266	2.9
145.10092	5.8
147.11665	5.0
149.13252	9.0
151.14758	1.3
159.11723	5.0
161.13298	5.9
163.14816	2.7
173.13277	4.1
187.14822	1.9
196.21217	1.0
201.16470	1.1
212.89346	0.9
223.16963	0.9
243.21114	3.8
261.19571	1.4
261.22089	8.9
306.22580	1.0
317.24731	1.1
335.25790	100.0
336.26114	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2577
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03929	3.3
55.01847	1.4
55.05252	1.2
55.05507	22.0
57.03167	1.8
57.03432	24.8
57.07048	3.9
61.27758	1.3
65.03918	3.6
66.08380	1.2
67.05500	100.0
69.07059	22.4
69.80166	4.1
69.80581	2.2
71.04976	2.7
73.02241	1.4
79.05487	52.3
80.05820	1.3
81.03419	1.4
81.07049	97.8
82.07359	1.6
83.04970	2.8
83.08611	11.9
83.16008	1.1
85.06530	2.6
91.05474	27.8
93.07035	53.1
94.07410	1.1
95.04939	4.9
95.08599	76.9
96.08887	1.5
97.06501	2.9
97.10162	5.4
99.08070	1.9
105.07026	16.6
107.08585	36.1
109.06506	2.1
109.10151	35.4
111.08052	2.8
117.06992	5.8
119.08554	13.8
121.09357	2.0
121.10137	25.4
123.08080	2.5
123.11693	12.4
129.05499	1.7
131.08577	9.8
133.10110	12.6
135.08040	1.1
135.11685	19.4
137.09581	2.1
137.13211	4.2
137.49127	1.3
139.11194	2.0
143.08559	1.4
145.10138	9.7
147.11682	10.5
149.09529	1.3
149.13245	11.8
159.11652	7.0
161.13277	8.1
163.14787	4.9
173.13255	8.1
175.14844	3.1
177.16348	1.8
187.14796	4.5
191.14325	1.5
243.21016	8.3
261.22147	14.4
279.23157	1.6
317.24664	5.2
335.21954	7.3
335.25732	86.9
336.22400	1.7
336.25992	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	335.2577
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
50.01603	0.6
51.02388	0.9
51.88012	0.6
53.03948	4.0
55.01866	1.6
55.05508	21.1
57.03438	24.8
57.07077	4.2
65.03934	4.3
67.05501	94.7
68.05836	2.3
69.03486	1.3
69.03863	7.6
69.07063	20.4
70.07417	1.0
71.04989	2.6
71.08639	1.3
75.04455	0.8
79.05488	45.6
81.03420	0.9
81.07053	86.3
82.07402	2.1
83.04971	2.2
83.08607	11.1
85.06544	2.8
89.06026	0.9
91.05478	27.4
93.07039	56.3
94.07377	1.7
95.04956	3.2
95.08600	72.6
96.08908	1.7
96.98901	0.7
97.06524	3.3
97.10139	4.0
99.08084	1.5
101.82923	0.7
103.19246	0.7
105.04533	1.4
105.07027	17.3
107.08587	28.9
109.06514	2.2
109.10147	31.1
110.10488	1.1
111.08088	2.3
117.06989	5.1
119.08571	14.5
119.09429	1.0
121.10128	22.1
122.10479	1.0
123.08084	3.6
123.11703	11.2
124.12029	0.8
125.09666	0.9
131.08548	9.2
133.10118	11.4
135.08055	1.2
135.11691	15.6
135.12650	1.3
137.09610	1.5
137.13271	3.3
139.11133	0.9
145.10106	6.7
147.11667	7.4
149.13237	9.4
151.09602	0.9
159.11691	5.9
161.13235	6.5
162.87068	0.7
163.14842	3.6
171.11798	0.7
173.13284	5.5
175.14838	1.9
177.16411	1.2
177.56119	0.8
179.14355	2.4
187.14839	3.5
201.16420	1.4
205.15923	1.1
219.17365	1.1
236.91768	1.0
239.93629	0.8
243.21111	5.5
257.53143	0.7
261.22141	8.4
291.23151	0.8
317.24826	2.8
335.25790	100.0
336.26120	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	335.2576
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
51.02372	0.9
53.03939	3.7
54.57407	0.8
55.01868	1.6
55.05252	1.6
55.05508	20.9
57.03436	25.1
57.07066	3.5
65.03926	2.7
67.05501	89.8
68.05832	2.3
69.07063	20.4
69.57002	3.7
71.04970	2.9
71.08613	0.9
72.04511	3.8
75.89062	0.7
79.05488	47.5
80.05820	1.5
81.07051	95.9
82.07375	2.3
83.04972	2.0
83.08610	9.4
85.06546	1.5
91.05471	23.8
92.88679	0.9
93.07039	59.3
94.07349	2.0
95.04982	4.0
95.08601	76.0
96.08936	2.1
97.06524	4.5
97.10152	4.1
99.08096	1.8
103.03924	0.9
105.04517	0.9
105.07026	18.3
107.04987	1.1
107.08589	34.7
108.08986	0.9
109.06509	2.5
109.10151	34.4
111.08059	2.1
111.11729	0.8
117.07019	5.4
119.08576	15.5
121.10135	24.8
122.10388	1.1
123.08028	2.0
123.11701	13.0
125.09618	1.1
129.05443	0.9
131.08559	11.5
132.08868	0.8
133.10109	11.9
135.11681	18.7
137.09636	2.6
137.13206	4.4
141.09184	0.9
143.08524	1.1
145.10133	7.9
147.11662	8.1
149.09619	1.1
149.13264	11.3
150.13562	1.1
151.11192	1.5
157.10081	1.0
159.11699	7.6
161.13235	9.5
163.11197	1.3
163.14777	6.8
165.12738	3.6
165.68971	0.9
166.13100	2.2
173.13249	6.9
175.14787	3.3
177.12680	1.0
177.16405	2.2
179.14240	1.3
187.14706	4.1
189.16376	0.9
201.16386	1.6
219.44917	1.0
230.28816	0.8
237.20461	1.1
243.21053	8.5
261.22098	12.2
317.24756	3.2
335.25745	100.0
336.25891	6.9
336.29401	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2578
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
51.02372	0.8
51.30068	0.7
53.00305	0.9
53.03946	4.7
55.01862	2.7
55.05511	27.9
57.03174	1.7
57.03437	25.6
57.07071	2.4
65.03936	3.6
67.05502	100.0
68.05841	1.7
69.03433	1.4
69.07063	23.9
69.58289	5.0
71.04980	2.5
77.03946	0.8
79.05492	49.5
79.85045	0.8
80.05826	1.0
80.44513	0.7
81.07053	74.7
81.97825	0.7
82.07384	2.8
83.04977	3.0
83.08616	8.7
85.06544	2.0
91.05474	23.4
93.07039	50.0
94.07392	1.0
95.04969	4.5
95.08604	61.3
96.08939	1.7
97.06538	3.5
97.10166	3.7
98.59404	0.8
98.98476	1.0
99.08090	1.4
101.75829	0.8
105.04517	1.4
105.07016	13.1
106.07315	1.0
107.08584	22.5
109.06550	1.9
109.10150	25.1
109.10880	1.7
110.10477	0.8
111.08094	5.9
111.11683	0.9
113.09591	1.2
117.07015	4.8
119.08570	11.5
121.06467	1.1
121.10145	18.2
123.08144	1.4
123.11710	6.0
125.09634	1.3
131.08556	7.2
133.10124	6.6
135.08049	0.8
135.11682	10.6
137.09648	0.9
137.13266	2.9
145.10098	5.4
147.11659	4.6
147.94768	0.8
149.09540	0.9
149.13237	5.0
151.14749	1.2
153.42424	0.9
156.58556	1.1
159.11684	2.5
160.67964	0.8
161.13235	2.9
163.14757	1.5
173.13289	2.4
175.14833	1.5
187.14851	1.6
243.21054	1.0
254.07404	0.7
261.22125	2.9
285.22873	1.1
335.08725	0.8
335.21866	15.5
335.25793	65.0
336.22186	2.2
336.26080	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	335.2579
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
51.02374	0.9
53.03940	3.3
55.01865	1.6
55.05510	25.1
56.05851	0.6
56.61631	0.5
57.03435	24.4
57.07074	3.7
62.99450	0.6
65.03922	3.4
67.05502	100.0
68.05840	3.0
69.03429	1.0
69.07065	24.7
71.04981	3.4
71.08627	1.2
71.31362	0.9
77.03970	0.6
79.05489	53.5
80.05834	0.8
81.03395	1.0
81.07053	89.3
82.07375	1.8
83.04985	1.8
83.08619	11.2
85.06535	2.5
91.05475	24.8
93.07041	56.2
94.07369	1.5
95.04955	4.7
95.08601	71.2
96.08936	2.3
97.06528	4.0
97.10151	3.7
99.08104	0.8
105.04524	1.5
105.07026	15.4
107.08591	29.2
109.06501	2.3
109.10153	29.3
110.10504	1.2
111.08066	2.4
111.11712	1.1
115.05434	0.6
117.07017	4.6
119.08579	11.9
121.10135	21.7
122.10468	0.8
123.08069	2.2
123.11696	8.6
125.09592	1.0
131.08569	8.5
133.10115	10.1
134.10458	0.8
135.11681	14.4
136.12132	0.6
137.09645	1.7
137.13203	2.8
145.10129	6.1
147.11668	7.1
149.09685	0.9
149.13237	8.1
151.11151	0.7
151.14847	0.7
159.11702	5.2
161.13225	4.5
163.14828	4.0
169.82547	0.6
173.13260	3.6
175.14830	1.7
177.16438	0.8
179.14375	0.9
187.14778	2.8
201.16388	1.0
205.15872	0.8
243.21066	2.2
261.22119	6.3
262.22531	0.7
317.24826	1.7
335.25775	73.4
336.26108	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	335.2579
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03935	4.5
55.05258	1.5
55.05512	24.4
57.03436	29.4
57.07069	3.9
65.03931	2.5
67.05502	100.0
68.05861	2.5
69.03420	1.2
69.07067	22.6
69.21808	8.5
71.04970	2.1
77.55503	0.9
79.05490	49.9
80.05804	1.1
81.03410	1.1
81.07055	88.0
82.07378	2.2
83.04971	1.6
83.08625	9.0
85.06524	2.5
91.05480	24.0
93.07043	57.1
93.43385	1.0
94.07379	1.8
95.04958	4.0
95.08604	65.1
96.08913	1.9
97.06517	3.6
97.10166	3.6
99.08061	1.2
105.04536	1.7
105.07030	16.7
107.08584	25.3
109.06538	1.9
109.10156	28.5
110.62856	1.1
111.08071	2.6
114.69589	1.0
117.07018	5.6
119.08578	12.7
120.08916	1.4
121.10149	22.5
122.10473	1.4
123.08044	2.0
123.11701	11.1
130.07733	1.1
131.08595	8.8
133.10117	9.3
135.11668	14.9
137.09567	1.5
137.13252	4.4
139.11090	1.5
141.51921	1.1
145.10135	7.0
147.11688	6.2
149.13263	7.2
151.11078	1.3
159.11690	4.2
161.13235	6.6
163.14807	3.7
165.12869	1.0
173.13286	4.6
175.14842	3.0
187.14830	2.7
187.61028	1.1
198.85858	1.1
202.87297	0.9
216.18677	1.0
232.50632	1.0
243.21114	2.3
261.22180	7.1
277.99094	1.0
317.24606	2.0
335.25790	86.5
336.26111	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	337.0805
Annotation	[1S-(1alpha,2beta,5alpha)]-4-Bromo-5-(1,2-dimethylbicyclo[3.1.0]hex-2-yl)-2-methylphenol acetate
Peak:m/z	Relative Intensity
51.85676	1.0
56.96564	29.2
59.14763	1.0
70.98112	6.6
71.23615	2.2
71.95267	2.2
84.96040	7.2
88.99171	2.4
98.97584	93.6
110.97574	30.4
112.99143	12.1
115.00686	4.1
116.98615	19.9
116.99393	1.3
124.95488	1.9
124.99139	2.4
126.97034	1.7
127.00678	1.0
128.98605	22.2
131.00186	8.1
133.01706	8.6
134.99629	2.3
135.66187	1.1
140.98595	4.3
142.96538	1.6
143.00175	7.1
144.98067	5.0
145.01636	1.8
146.99655	9.6
149.01242	1.5
150.92966	1.1
151.02798	3.1
152.98579	6.6
157.01703	2.8
158.99660	19.7
161.01231	6.6
162.99150	2.5
163.02843	1.4
165.00783	1.4
170.96028	2.9
170.99675	10.1
174.99167	1.9
175.02765	7.6
177.00703	11.1
179.02309	1.1
184.97609	3.1
187.06372	4.7
188.97069	5.1
189.00740	6.7
193.03854	2.0
201.00722	6.9
202.98672	2.4
205.00267	1.8
205.07458	2.6
206.58246	1.3
206.98218	1.7
207.01805	2.4
212.97087	1.9
217.00319	1.8
217.03850	4.2
219.01779	48.6
219.05136	1.8
220.01997	1.8
220.99690	2.4
223.04755	1.5
229.03900	1.8
230.98109	4.9
235.01082	1.6
235.04912	3.1
237.02821	46.2
238.03203	2.1
244.99741	5.2
255.03931	2.4
263.00726	7.0
277.02469	3.4
277.05936	33.1
277.09518	5.4
278.06332	2.0
295.07016	100.0
295.10440	7.0
296.07370	4.9
337.08170	30.3
338.08548	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	0.5
63.73121	0.4
69.03416	0.9
69.36201	2.6
69.36610	1.2
81.02000	0.6
85.02914	0.6
93.07020	0.6
94.16348	0.4
98.22607	0.9
109.67954	0.5
136.07547	0.6
137.05966	0.9
151.34349	0.5
175.03651	8.5
175.07571	0.7
177.05508	0.7
185.04198	11.9
186.04501	0.7
213.07367	0.8
215.08916	0.6
217.01332	0.7
219.10248	0.5
221.05719	0.8
234.06815	0.5
266.76151	0.6
266.96811	0.6
277.08676	0.8
290.10052	0.5
301.11761	0.8
319.09863	1.6
320.13889	1.1
337.08902	100.0
338.09216	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	337.0893
Annotation	Flustraminol A
Peak:m/z	Relative Intensity
50.16417	1.8
51.12341	1.7
70.06582	4.6
70.29530	2.4
70.29869	4.6
86.27926	1.8
99.88434	1.9
131.01915	3.8
145.03439	2.6
147.94325	2.2
155.64944	2.0
173.02946	3.6
184.56859	1.9
217.01915	4.9
229.02084	2.3
307.92728	1.7
337.08850	100.0
337.17007	6.5
338.09293	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05634	5.9
67.36349	2.7
69.89440	5.2
69.89848	10.5
70.06585	25.7
72.08128	3.2
79.64738	2.7
87.21390	2.7
99.37614	3.2
101.00853	3.3
106.98377	2.7
112.08704	3.8
119.01907	4.9
134.12883	3.2
145.03384	4.1
155.73471	3.3
158.05447	3.1
171.84793	3.3
175.11900	3.6
187.59886	2.9
190.13879	3.4
241.88058	3.4
247.53618	2.9
260.90244	2.9
275.27753	3.1
337.08908	100.0
337.17126	16.5
338.09344	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	337.0914
Annotation	Flustraminol A
Peak:m/z	Relative Intensity
50.27173	0.2
51.02374	0.4
53.03941	2.4
55.01867	0.2
57.03432	8.1
61.02923	0.4
61.28550	0.3
67.27631	0.2
68.99802	0.3
69.03426	0.7
70.66507	0.4
71.01349	5.3
73.02910	16.3
75.04472	1.4
77.03915	0.9
79.05484	3.7
81.03404	0.4
83.01319	0.5
85.02899	31.1
86.03211	0.4
87.00823	0.6
89.02363	0.3
91.05499	0.4
95.01328	2.5
95.04958	3.1
96.01680	0.3
99.00838	1.2
101.01685	0.3
101.02370	7.6
103.03933	9.7
103.04602	0.5
104.04210	0.3
105.03384	100.0
106.03706	2.3
113.02366	3.1
119.08617	0.3
123.04420	17.5
124.04791	0.5
131.03398	3.7
135.08044	0.2
141.01801	2.2
159.02882	4.7
160.03206	0.3
165.09142	0.5
172.99655	0.3
177.03979	0.5
177.05429	0.2
179.07021	7.2
180.07358	0.4
183.80515	0.2
254.01097	0.3
291.05103	0.2
301.11084	0.2
301.17960	0.2
309.19458	0.2
337.09146	26.5
338.09433	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.7
55.05502	2.1
57.03419	0.7
59.98458	0.5
67.05496	3.3
69.07069	3.0
69.69386	2.9
79.05473	1.1
81.07054	4.8
83.08609	0.7
91.05469	2.4
93.07059	2.4
95.08614	4.1
96.55605	0.6
97.10135	0.8
105.07027	2.2
107.08594	1.7
109.06480	0.8
109.10139	1.0
111.08052	0.7
119.08583	1.1
121.10125	1.4
131.08502	0.8
133.10121	1.8
135.11656	0.9
137.13243	0.7
145.10114	0.9
147.11662	1.1
169.05042	0.6
173.13327	0.7
175.14854	0.6
179.10735	0.6
228.99278	0.5
305.08206	1.3
319.22571	0.7
337.10904	2.4
337.19818	100.0
337.23276	6.0
338.20258	7.1
338.26764	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2733
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
52.97466	0.9
53.03944	2.8
55.01875	1.1
55.05508	44.4
57.03435	26.5
57.07074	8.0
65.03931	2.7
67.05501	96.6
68.05820	2.3
69.07063	48.4
69.38094	6.1
71.04983	2.4
71.08608	2.8
79.05485	24.3
81.07052	95.2
82.07375	1.5
83.04973	2.6
83.08615	29.1
85.06539	3.5
91.05481	15.9
93.07040	23.3
94.07372	1.1
95.04967	1.6
95.08601	82.5
96.08949	1.9
97.06519	6.1
97.10168	15.9
99.08082	2.5
102.02913	0.8
105.07027	9.6
107.08591	13.6
109.10146	31.6
109.10884	1.6
110.10509	0.9
111.08066	3.3
111.11729	3.2
113.09631	1.1
119.08559	7.4
121.10140	14.3
123.08098	1.3
123.11687	14.2
125.09611	1.9
125.13260	1.3
133.10112	8.7
135.11673	6.5
137.09608	2.1
137.13220	5.9
139.11182	0.9
147.11690	6.5
149.13283	4.9
151.11237	1.3
151.14888	1.7
161.13232	4.6
163.14806	3.3
165.16420	1.7
175.14864	4.2
177.16310	1.5
185.13344	0.8
189.16359	0.9
199.20770	0.9
245.22691	5.3
263.23737	8.3
311.22232	0.9
319.26340	1.0
337.27350	100.0
338.27682	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	337.2737
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03938	2.4
55.01870	2.2
55.05511	38.2
56.62281	0.8
57.03437	23.5
57.06874	0.8
57.07082	8.1
62.20922	0.8
65.03932	3.6
67.05503	97.3
68.05822	1.6
69.07065	43.6
70.07364	1.1
71.04980	3.0
71.08627	3.2
71.31735	1.3
72.75878	0.8
79.05490	24.2
80.32667	0.7
81.03444	0.9
81.04131	0.7
81.07055	96.2
82.07375	3.1
83.04982	4.5
83.08618	27.2
85.06554	3.0
85.10178	1.2
91.05476	15.5
93.07045	23.3
95.04968	2.7
95.08604	81.3
96.08939	2.3
97.06534	6.1
97.10160	14.5
99.08092	2.9
99.24467	0.8
105.07023	11.3
107.08589	17.1
109.06525	1.8
109.10155	34.8
110.10497	1.0
111.08082	2.7
111.11728	3.6
113.09658	0.9
117.07021	1.4
119.08576	10.0
121.10138	14.4
123.08061	1.0
123.11701	16.6
123.12543	1.4
125.09630	2.1
125.13225	1.1
127.11203	1.4
129.05516	2.2
131.08572	1.2
133.10126	9.3
134.10468	0.9
135.11693	8.5
137.09615	2.6
137.13272	5.5
139.11255	1.0
145.10201	1.1
147.11699	5.4
149.13258	8.0
151.11169	1.1
151.14804	2.1
153.12746	1.3
157.10172	0.8
161.13240	5.6
163.14841	5.5
165.12799	1.4
167.14328	0.8
175.14792	5.1
177.16466	1.2
179.14294	1.0
189.16368	1.4
193.15915	1.1
203.17928	1.3
245.22661	7.1
246.23137	0.9
263.23694	11.7
264.23819	1.0
311.57126	1.0
319.26282	1.0
337.27356	100.0
338.27698	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	338.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.9
55.01867	4.3
55.05501	2.2
65.03956	2.8
67.05513	4.0
69.03435	12.4
69.33833	1.9
71.05002	3.9
71.30681	2.5
74.06137	2.1
78.81522	2.3
79.05487	4.2
81.03420	5.3
81.07056	26.9
81.16464	1.9
83.04927	2.7
85.02911	9.0
85.03419	2.5
85.06549	4.2
91.05503	5.0
95.01362	2.2
95.04993	2.4
95.08626	20.5
97.06541	20.5
105.07014	3.0
107.04974	3.9
109.02843	4.6
110.06068	2.6
111.04471	2.6
113.05962	2.5
116.07079	4.9
117.03432	2.6
119.04978	2.9
122.06058	12.5
123.08072	20.3
124.07581	7.1
125.06052	2.1
127.03936	2.7
136.06085	3.4
136.06503	2.2
136.07582	33.9
137.05968	14.9
137.94469	2.1
139.86200	2.1
141.05579	2.8
141.09109	100.0
141.12788	2.9
142.09492	3.9
145.02821	2.6
147.04405	7.6
150.05577	5.3
152.05942	4.0
152.07069	33.4
153.05223	2.0
159.10159	21.4
164.07066	37.8
167.03447	3.4
170.08163	8.2
175.07578	2.4
176.07039	10.4
177.05444	7.9
180.94203	2.1
182.08122	14.7
205.04916	2.4
234.12459	2.3
293.06454	2.3
303.13409	8.8
320.12488	2.1
321.10818	2.0
321.14618	5.7
338.12634	6.5
339.10709	11.4
339.14453	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.9
55.01867	4.3
55.05501	2.2
65.03956	2.8
67.05513	4.0
69.03435	12.4
69.33833	1.9
71.05002	3.9
71.30681	2.5
74.06137	2.1
78.81522	2.3
79.05487	4.2
81.03420	5.3
81.07056	26.9
81.16464	1.9
83.04927	2.7
85.02911	9.0
85.03419	2.5
85.06549	4.2
91.05503	5.0
95.01362	2.2
95.04993	2.4
95.08626	20.5
97.06541	20.5
105.07014	3.0
107.04974	3.9
109.02843	4.6
110.06068	2.6
111.04471	2.6
113.05962	2.5
116.07079	4.9
117.03432	2.6
119.04978	2.9
122.06058	12.5
123.08072	20.3
124.07581	7.1
125.06052	2.1
127.03936	2.7
136.06085	3.4
136.06503	2.2
136.07582	33.9
137.05968	14.9
137.94469	2.1
139.86200	2.1
141.05579	2.8
141.09109	100.0
141.12788	2.9
142.09492	3.9
145.02821	2.6
147.04405	7.6
150.05577	5.3
152.05942	4.0
152.07069	33.4
153.05223	2.0
159.10159	21.4
164.07066	37.8
167.03447	3.4
170.08163	8.2
175.07578	2.4
176.07039	10.4
177.05444	7.9
180.94203	2.1
182.08122	14.7
205.04916	2.4
234.12459	2.3
293.06454	2.3
303.13409	8.8
320.12488	2.1
321.10818	2.0
321.14618	5.7
338.12634	6.5
339.10709	11.4
339.14453	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0475
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	7.0
67.57305	4.1
68.99782	5.8
69.31945	14.2
69.32348	8.9
81.14203	4.0
97.33923	3.2
98.97596	9.3
102.01053	3.6
107.04951	3.9
111.00822	4.9
115.05461	4.4
119.04915	5.9
121.06523	4.1
123.04421	8.8
139.03922	10.8
145.02730	4.3
145.06470	4.8
147.04425	16.0
149.06044	3.9
159.04503	6.1
161.05960	5.8
163.03932	16.2
175.03934	12.0
177.05463	100.0
185.05995	3.9
187.03934	19.0
189.05528	10.2
191.03391	12.1
193.05009	9.3
203.03357	47.3
205.04930	60.4
213.00591	7.9
215.03384	21.5
217.04878	4.3
219.01689	4.6
221.04446	7.6
229.04964	4.8
231.02861	14.9
233.04448	67.6
234.04680	4.0
239.03345	8.8
242.02051	5.3
251.05441	29.4
257.04373	10.6
267.02957	8.7
277.03406	11.0
285.03824	4.8
295.04434	26.9
303.05029	8.4
321.06061	10.2
339.07089	42.1
339.10651	13.8
339.14536	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	339.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78633	1.1
54.39698	1.1
55.01868	5.1
59.49212	1.2
63.08125	1.3
65.03902	1.5
66.53782	1.1
67.05510	1.2
68.99786	8.2
69.03411	2.6
71.33151	1.5
73.46328	1.1
75.06662	1.2
79.05476	2.0
81.03423	2.5
81.07034	2.1
85.02911	2.0
91.05469	5.2
95.04952	1.6
97.02879	4.6
105.07001	3.1
107.04988	2.2
109.02868	1.6
111.00806	2.9
111.04460	2.6
115.05444	2.4
117.07005	2.5
119.04939	4.1
121.02847	2.1
121.06519	3.0
122.06033	3.6
123.04427	6.3
125.02332	4.7
131.04919	4.1
133.06479	1.8
135.04405	3.6
136.07585	4.4
137.02327	2.9
137.05998	3.7
139.02843	2.3
139.03897	31.1
143.04967	1.7
145.02838	4.1
145.06471	6.5
147.04396	17.2
149.02336	2.9
149.05949	2.9
151.03862	4.0
152.07040	2.7
155.04897	3.9
157.06471	3.1
158.03531	1.6
159.04408	2.7
161.06027	6.1
163.03894	17.2
164.07042	4.7
165.01830	2.1
167.03435	1.9
171.04440	3.6
173.06000	5.3
175.03909	9.1
177.05470	100.0
178.05804	4.8
179.03358	1.3
181.04948	5.4
182.08072	1.8
183.02950	1.3
183.04376	5.0
185.05943	2.8
187.03891	17.3
189.05449	9.9
190.05893	1.3
191.03398	13.4
191.06992	1.6
193.04973	7.5
201.01837	1.5
201.05431	5.5
203.03380	70.0
204.03699	3.5
205.04930	58.1
206.05247	1.3
209.09541	1.2
211.03900	5.4
213.05452	3.4
214.02608	4.7
215.03372	27.4
216.03929	3.3
217.04918	3.9
219.06558	1.9
221.04414	11.2
229.04930	8.2
231.02832	13.4
231.06480	2.2
233.04430	62.6
234.04700	4.2
235.05775	1.4
239.01024	2.6
239.03354	27.2
240.03635	1.8
241.04933	4.5
242.02074	22.4
243.02792	2.2
247.06036	9.1
249.04033	6.3
249.06247	1.7
250.08110	2.9
251.05505	35.6
252.05873	1.4
257.04410	14.4
259.02350	3.6
259.06027	3.5
260.03140	2.5
267.02863	25.4
275.05536	7.4
277.03430	13.5
277.06680	2.8
285.03912	13.0
295.01154	1.6
295.04446	27.5
296.04636	1.4
303.04971	23.7
304.05417	1.5
321.06021	39.5
321.09689	2.7
321.14359	1.7
322.06351	3.5
339.07059	48.7
339.10568	5.9
339.15106	1.5
340.07379	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74857	1.0
55.01876	3.0
60.47062	0.9
67.04768	0.9
68.99796	4.2
69.03427	3.6
69.87735	2.5
69.88135	1.7
74.20991	0.9
79.05537	1.0
81.03423	1.3
91.05470	2.3
95.04961	1.6
97.02895	7.9
98.23288	1.6
105.07024	1.1
107.04934	2.1
107.69531	1.0
108.98470	1.1
111.04444	1.5
111.11186	0.9
115.05459	1.7
118.35058	1.0
119.04947	2.3
121.02890	1.8
123.04424	7.1
125.02362	7.6
129.07036	1.5
131.04947	1.8
135.04443	2.3
137.02399	1.3
139.03896	16.6
140.04309	1.0
143.04955	1.2
145.02872	2.7
145.06502	1.8
147.04427	3.5
149.02437	1.7
149.05988	2.7
150.03094	1.2
151.03946	7.7
157.06473	2.4
159.04453	3.6
161.06010	2.3
162.99274	0.9
163.03896	13.8
167.03418	1.3
171.04431	2.1
173.02339	1.0
173.05983	1.5
175.03847	6.2
176.04802	1.1
177.05470	66.2
178.05809	2.8
179.03499	2.7
181.04947	8.2
183.02838	1.8
183.04388	1.0
185.05959	1.3
187.03906	11.6
189.05486	4.4
191.03416	4.2
191.33595	1.1
193.05014	3.9
199.03954	1.6
201.05493	3.4
201.10068	1.1
203.03389	100.0
204.03751	6.0
205.04961	33.4
206.05249	1.0
206.75497	1.1
207.11238	4.5
213.05473	3.0
215.03401	16.1
217.04919	1.6
219.02832	2.9
219.11295	1.7
221.04401	6.9
223.03923	1.1
229.05005	2.9
229.09763	1.1
229.13341	2.3
231.02870	10.2
231.06517	2.3
232.03174	1.1
233.04445	35.2
234.04759	2.3
239.03397	1.6
241.04996	2.1
242.02158	1.7
247.06009	20.7
247.14444	2.8
248.06404	1.2
249.04041	4.0
251.05522	21.7
257.04489	2.7
257.12817	3.2
259.06070	3.3
275.05453	11.0
275.13861	2.3
277.03467	6.2
277.07117	3.3
285.12354	1.4
293.14890	2.6
295.04507	21.3
296.04959	2.0
303.04965	4.8
303.13364	5.0
321.06049	69.0
321.14258	12.1
322.06381	3.5
339.07132	43.8
339.10568	1.9
339.15494	31.8
340.07590	1.6
340.15750	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96548	0.9
60.69043	0.6
66.95898	0.5
67.05472	0.6
69.03415	1.0
70.46780	0.5
71.31691	0.9
79.43312	0.6
81.03349	0.6
84.96051	0.9
85.02900	1.3
87.02876	0.6
91.05500	0.9
96.89852	0.5
97.02824	0.8
98.97569	1.9
107.04978	0.6
116.98622	1.9
136.07574	0.6
137.05916	1.0
145.02887	0.8
147.04419	2.6
149.23698	0.6
152.07051	1.0
164.07005	1.1
166.12312	0.7
176.07167	0.6
177.05408	1.6
179.77261	0.6
185.04236	1.9
193.07330	1.0
193.24942	0.5
207.11195	1.0
234.07596	1.0
268.06262	0.9
274.97464	1.2
275.13980	1.0
289.11850	0.6
292.98730	0.8
303.13379	1.7
321.14429	2.7
339.10489	100.0
339.15256	6.4
340.05054	2.8
340.10669	6.4
340.14383	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1071
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
55.07755	0.7
65.03919	1.7
70.93851	2.0
83.04962	1.1
90.02288	0.7
91.05468	12.7
95.41305	0.7
110.08167	0.7
119.04940	26.2
147.04401	100.0
148.04703	3.7
165.05424	0.8
177.05498	0.9
278.70401	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1225
Annotation	Vitrofolal A
Peak:m/z	Relative Intensity
53.03939	2.7
55.01854	3.0
55.05508	8.6
57.35111	1.9
65.03941	3.4
67.05480	5.3
69.03422	3.6
69.07059	6.8
69.47591	9.3
79.05495	4.4
81.03406	8.0
81.07058	9.0
83.04961	2.9
85.02896	7.9
91.05447	4.3
93.07033	4.8
95.04956	2.7
95.08597	9.3
97.10162	18.1
98.97581	2.0
103.05453	3.4
105.07018	5.3
107.04951	5.7
107.08566	3.8
109.02870	2.6
109.06501	2.6
109.10126	2.2
111.04466	3.3
115.05442	3.0
117.03368	5.8
117.07051	2.6
119.04926	2.5
121.02876	6.0
121.10116	2.2
123.08046	4.2
125.05980	2.5
125.09624	2.3
129.06947	2.0
131.04944	3.2
133.06493	2.3
133.10072	2.7
135.11719	1.9
137.05960	12.0
143.10640	5.2
144.05685	3.1
145.02840	15.9
145.06439	4.1
145.10046	2.5
149.05974	4.1
151.03877	2.5
151.07611	2.5
153.05444	6.1
159.08012	9.8
161.06027	3.8
163.07553	2.0
165.07024	4.2
171.04445	4.0
175.07491	3.1
177.05441	24.7
177.06941	2.2
178.07767	5.4
179.08495	4.6
181.06427	3.3
185.05963	6.8
186.06732	5.5
189.06958	7.0
189.11208	2.0
190.07767	10.7
191.08559	14.5
193.06471	3.7
194.07274	2.7
201.07204	1.9
202.07762	4.4
203.08618	5.9
204.05598	2.3
205.06505	7.6
206.07275	5.2
206.94112	1.9
207.08055	14.4
208.08806	8.3
209.05907	2.2
210.06697	2.4
214.06207	13.7
215.06992	2.3
217.06560	2.9
218.07243	15.7
219.08023	29.3
220.08835	16.4
221.05978	11.3
221.09573	3.0
223.07549	3.2
223.11110	2.4
225.09117	2.1
229.08577	24.2
231.08014	3.2
233.09663	3.9
234.06696	6.6
235.07487	27.3
236.08296	23.1
237.09010	6.0
238.06001	2.5
239.07018	2.5
246.06650	8.7
247.07509	21.8
248.08217	11.0
249.05464	6.3
249.09116	7.5
250.06110	5.1
250.09888	5.0
251.06914	3.9
251.10655	39.3
251.13101	3.6
252.07666	2.0
252.10930	2.4
253.08551	5.5
261.09131	7.9
262.06250	2.7
263.06961	21.0
264.07785	45.9
265.08511	21.9
266.05734	2.8
266.09146	2.5
274.97400	1.9
275.07053	5.5
277.08609	9.5
278.06396	2.1
278.09329	12.5
279.10123	30.3
281.08084	13.0
289.08432	2.7
291.06525	2.8
292.07245	9.0
292.98611	2.2
293.07962	12.0
295.09528	3.0
296.10416	6.4
297.11090	2.9
303.16000	2.0
306.08798	3.6
307.09616	83.5
308.10263	19.9
309.11127	4.3
311.12735	51.7
312.13113	4.0
321.10999	4.0
321.16891	1.8
324.09906	8.7
339.12231	100.0
339.17667	4.3
340.12906	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	339.1549
Annotation	Nicotine glucuronide
Peak:m/z	Relative Intensity
54.02520	0.3
55.01835	0.3
55.05490	0.3
56.81695	0.3
65.33421	0.3
69.03415	1.3
69.80112	1.5
70.06592	0.4
78.85989	0.3
79.05496	0.5
81.03405	0.8
82.48964	0.4
84.08138	0.7
85.02885	0.6
91.05504	0.6
97.02870	0.8
98.23292	0.4
98.97566	1.0
99.04407	0.4
106.38798	0.3
107.04964	0.3
109.06468	0.4
110.07175	0.6
110.63273	0.3
112.07578	0.4
116.98608	0.9
119.04957	0.4
121.06425	0.4
125.05941	0.6
127.03919	0.3
133.07632	0.4
134.99768	0.5
135.04367	0.4
135.09148	0.5
136.07536	0.4
137.05936	0.6
147.04408	1.4
147.09164	0.4
149.05951	1.6
152.07101	0.5
153.05490	0.5
159.09172	0.4
160.07498	0.5
160.09911	0.4
161.07080	1.2
161.10776	1.2
163.04514	0.4
163.08734	0.4
164.07114	0.5
167.07037	0.6
173.10730	1.4
174.11505	0.6
175.12268	0.5
176.09428	0.7
177.05304	1.7
177.06674	0.8
178.05011	0.6
178.08589	2.7
181.96562	0.4
187.08603	0.9
187.12346	2.1
188.09439	0.9
188.13011	1.3
189.10228	2.4
194.10524	0.6
195.06541	0.4
198.98972	0.5
200.09477	2.0
201.10231	3.7
202.10922	1.0
203.03387	0.6
203.11795	0.9
205.04997	0.7
207.11275	15.8
208.11752	1.4
214.10985	2.2
215.08183	0.7
215.11769	3.8
216.12500	2.5
218.10478	1.8
219.11249	5.2
220.12056	3.6
221.12805	2.1
227.11682	0.4
229.09666	1.3
229.13339	8.2
232.12061	1.3
233.09309	2.3
233.12817	4.6
234.13600	1.9
242.10558	0.5
244.12024	1.0
245.09212	0.3
245.12727	0.4
247.10876	1.6
247.14420	7.8
248.11526	1.0
248.14760	0.5
257.12851	11.0
258.13333	0.7
262.13049	1.1
265.11731	1.6
274.97458	0.8
275.13879	11.8
276.14288	1.0
277.15393	1.7
285.12268	3.5
286.10413	0.5
292.98499	0.6
293.14908	7.1
293.18188	0.5
303.13370	15.7
304.13675	1.0
315.39844	0.3
321.14423	37.8
322.14688	3.2
339.10999	4.6
339.15472	100.0
340.10379	0.6
340.15820	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	339.1588
Annotation	Prostratol D
Peak:m/z	Relative Intensity
55.01866	1.5
55.05510	1.2
65.47681	0.5
67.05491	1.0
69.07060	1.2
70.16220	0.5
70.57356	1.2
71.04984	0.5
72.92013	0.5
73.68524	0.6
74.45566	0.4
79.05479	1.2
81.07049	2.1
81.07503	0.5
83.05013	0.4
83.08614	0.7
85.02888	0.5
91.05479	1.6
93.07041	1.3
95.04969	1.9
95.08632	1.3
97.02863	0.7
105.07029	1.0
107.08572	0.7
109.02873	1.5
109.06510	0.5
109.10155	1.0
119.08585	0.8
121.06451	0.5
121.10131	1.1
123.08071	0.8
131.71907	0.4
133.10139	0.7
137.09650	0.8
143.08505	0.4
146.07242	0.6
147.08070	0.8
151.07549	0.8
155.04848	0.5
161.09561	0.6
163.07631	0.6
165.09079	1.8
167.08519	0.5
169.34930	0.6
177.09091	0.6
178.09909	1.5
183.10213	0.5
187.07600	0.8
194.07268	0.8
195.08055	0.7
197.05998	1.6
201.05360	0.6
204.09285	0.7
205.06566	1.6
207.08073	0.7
207.68271	0.5
209.06039	0.7
210.06711	0.6
211.07487	2.0
212.08324	2.3
218.07254	0.9
219.08006	0.8
219.11702	3.0
221.05934	1.4
221.09624	1.2
222.06752	1.6
223.07582	1.1
224.08315	3.7
225.05490	2.4
225.09073	0.6
232.08780	3.6
233.09633	2.7
235.07610	2.4
236.04646	1.5
236.11928	0.6
237.09084	3.5
238.09990	0.6
239.06906	0.9
239.10773	0.9
240.07791	17.5
241.08171	0.7
244.89449	0.5
246.10335	1.0
247.07494	0.9
247.11194	4.6
248.11884	2.0
249.05408	0.6
249.09113	6.6
250.06221	2.1
250.09813	1.1
251.07060	2.4
251.10713	1.2
251.14378	0.5
252.11333	0.7
253.08521	0.8
255.06555	0.6
255.10175	0.9
259.07544	0.5
260.08368	1.2
261.09061	4.0
262.06348	1.2
263.07031	1.6
263.10266	0.5
264.08093	2.9
264.11377	5.6
265.08597	9.6
265.12076	2.4
268.07275	11.5
268.10095	0.7
269.07611	1.0
274.09866	0.7
275.10672	5.1
276.07755	0.5
276.11267	0.7
277.08591	16.2
278.09277	6.4
279.10138	2.3
279.13773	11.1
280.14084	1.1
283.09625	62.5
284.09964	4.4
289.12210	2.3
291.10138	4.4
292.10889	11.5
293.11395	1.9
305.11423	0.5
307.13257	100.0
308.13599	9.3
339.12619	1.7
339.15866	42.1
340.16251	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	339.1591
Annotation	Bauhinoxepin B
Peak:m/z	Relative Intensity
51.48792	0.4
55.01852	1.2
55.05483	0.9
62.98213	0.6
67.05457	1.4
69.03413	0.7
69.07038	1.0
70.49072	1.3
74.69265	0.5
79.05470	1.1
81.07019	1.7
83.08592	0.6
85.02891	0.5
91.05452	0.7
93.06999	1.3
95.08614	1.0
97.06479	0.5
105.07052	0.5
107.08577	0.7
109.10135	1.3
119.08563	0.9
127.49909	0.5
128.43587	0.4
133.10101	0.6
137.05930	0.6
145.10031	0.7
157.10129	0.6
165.06985	0.8
169.06480	0.7
174.06638	0.5
179.08551	1.1
194.07245	1.6
195.07950	0.8
197.05994	2.2
204.09274	1.6
205.06430	0.6
208.05190	0.7
209.09512	0.6
210.06697	0.9
211.07492	1.3
212.08289	2.4
218.07147	0.7
219.08049	1.1
219.11629	2.1
221.06044	1.3
221.09557	1.4
222.06705	1.9
223.07487	1.2
224.08319	3.4
225.05498	3.1
225.09027	1.4
227.10626	0.5
229.10085	0.5
232.08841	4.0
233.09535	2.0
234.06721	1.2
235.07576	2.3
236.04692	1.2
236.08286	0.7
236.11902	1.1
237.09068	4.6
238.09752	1.4
239.06975	0.8
239.10620	1.8
240.07802	21.0
241.08171	1.3
246.10402	1.3
247.07478	0.7
247.11179	5.6
248.08267	0.7
248.11804	1.8
249.05183	0.8
249.09087	6.4
250.06279	1.7
250.09680	1.4
251.07037	2.7
251.10545	0.8
252.08014	0.6
252.11510	0.8
253.05029	0.7
253.08563	1.2
255.06577	0.8
255.10069	1.9
260.08203	1.4
261.09143	3.3
261.12704	0.6
262.06256	1.2
262.09668	0.6
263.06927	1.2
263.10623	1.3
264.07892	3.1
264.11420	6.8
265.08582	11.0
265.12091	2.7
268.07272	11.4
269.07544	0.9
270.08826	0.6
274.09988	0.7
275.10678	6.2
276.11053	0.8
277.08597	18.3
278.09271	8.1
279.10141	4.0
279.13800	13.0
280.14157	1.2
281.08096	1.9
283.09634	65.1
284.10040	5.0
289.12152	3.1
290.09332	0.7
291.10117	5.4
292.10892	12.7
293.08160	0.6
293.11417	2.0
295.09830	0.8
305.11688	0.9
307.13266	100.0
308.10236	1.0
308.13596	9.3
309.07535	2.8
309.10800	0.5
311.12726	1.2
323.08951	1.2
324.09964	3.8
325.10022	0.7
339.08801	1.1
339.12241	9.4
339.15933	41.2
339.18845	2.4
339.24716	1.4
340.12524	1.2
340.16312	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	339.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	9.8
55.05502	9.5
67.05501	49.7
69.03421	29.3
70.57864	23.6
71.04995	71.3
77.36488	8.0
79.05471	11.4
81.03399	16.5
81.07051	75.0
85.02907	27.0
85.06549	19.6
91.05494	20.6
92.10900	7.8
95.08588	15.3
97.02887	9.2
101.84359	8.6
105.07063	8.4
107.04974	11.5
108.04475	8.2
110.06059	12.0
119.04958	26.3
122.06037	72.2
123.11742	15.0
127.03968	10.9
131.93716	7.9
136.06174	9.3
136.07544	18.1
137.05920	15.2
138.05444	8.7
141.12730	100.0
146.11821	9.9
147.04419	94.3
149.05981	12.9
150.05556	53.0
152.07068	10.1
153.05559	9.4
154.08612	15.8
159.13799	49.7
163.03928	11.3
164.07047	19.6
166.12398	9.6
167.06866	10.9
168.06505	10.8
175.07527	9.8
177.05386	45.5
177.14862	28.9
182.08115	13.5
186.53651	7.7
205.06340	9.6
215.53337	8.3
219.17401	7.8
243.07697	8.0
276.12500	10.4
296.14966	16.9
303.13300	15.4
321.14349	26.7
339.10272	39.8
340.13727	21.4
340.17419	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	339.2529
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03939	1.4
55.01857	0.8
55.05508	42.0
57.03435	0.8
57.07071	1.3
59.05011	0.7
65.41887	0.5
67.05503	6.2
69.03422	2.2
69.06712	1.0
69.07067	14.5
71.04987	1.3
71.36562	0.7
73.02894	0.7
79.05505	3.5
81.03416	1.6
81.07050	14.7
82.07328	0.6
83.04971	1.4
83.08604	2.2
85.06535	2.0
87.08089	0.7
89.03928	0.9
91.05465	3.9
93.07041	7.8
95.04972	0.8
95.08601	18.5
97.06512	1.1
97.10165	100.0
98.10511	2.5
99.04465	0.7
99.08086	0.9
101.06001	0.8
103.05464	1.0
105.07008	6.6
107.04935	1.3
107.08597	7.0
109.02892	1.0
109.06530	1.5
109.10147	7.9
111.08038	1.0
111.11695	1.1
117.03371	2.0
117.07006	1.2
119.08574	6.2
121.06500	1.5
121.10136	5.1
123.08051	1.3
123.11678	3.4
125.06036	0.5
125.09631	20.3
126.09955	0.8
127.04017	0.7
128.45255	0.5
131.04967	1.0
131.08571	1.2
133.10124	2.3
135.08028	0.8
135.11678	5.9
137.05984	1.9
137.09607	0.7
139.11186	2.2
143.10669	41.1
144.11028	0.9
145.02846	3.9
145.10118	1.9
146.07257	1.3
147.11687	3.6
149.05986	1.1
149.13245	3.3
151.03937	1.8
151.07518	1.2
151.11189	0.8
151.14822	1.5
153.12743	1.2
155.04900	0.6
157.10315	0.7
157.12234	1.1
159.11710	2.0
161.13258	3.6
163.07550	1.4
163.11218	0.6
163.14822	0.7
165.09125	0.8
165.12776	1.6
171.10161	5.8
171.11557	0.9
173.13272	1.6
175.14920	0.7
177.05487	6.8
177.09082	0.9
177.12761	0.8
178.09894	4.0
187.07526	1.0
187.14861	1.5
189.11209	8.0
200.04643	0.7
201.05455	0.5
215.07071	2.0
219.08072	0.9
221.06062	0.9
235.07652	0.7
251.07112	0.6
263.07135	0.7
264.07709	0.9
275.23709	1.3
277.08533	0.7
277.21619	1.3
278.09436	0.8
279.10043	0.8
281.08212	0.7
283.13791	0.6
285.22131	1.3
289.08725	0.8
296.10477	0.6
303.23203	7.0
307.09589	1.6
309.24228	2.5
311.12741	1.2
321.10608	1.0
321.24234	10.1
339.08469	1.5
339.12411	6.4
339.25314	3.0
350.51303	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2529
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03938	2.3
55.01868	2.1
55.05510	48.4
57.03426	1.5
57.07070	1.7
62.49392	0.7
67.05502	9.3
69.03417	4.9
69.07066	18.7
71.04985	2.6
71.09798	1.4
71.10139	0.7
76.72175	0.7
79.05481	5.9
81.03419	7.1
81.07053	23.8
83.04979	1.6
83.08612	4.5
85.02901	2.9
85.06541	2.7
87.08123	0.9
89.03909	3.4
91.05470	5.8
93.07043	9.9
95.04954	2.7
95.08601	34.7
96.08909	0.8
96.18495	0.7
97.06534	2.0
97.10165	100.0
98.10504	2.4
98.23246	0.7
99.04480	1.0
99.08088	1.5
101.05971	0.8
103.05470	1.4
105.07018	7.3
107.04953	2.8
107.08584	8.9
109.02882	2.3
109.06511	2.0
109.10163	8.8
111.08084	2.0
113.06091	0.9
115.05455	1.5
117.03372	8.9
117.06980	1.4
119.04942	1.1
119.08575	6.3
121.06498	3.0
121.10121	7.8
123.08071	4.7
123.11710	4.6
125.09621	19.3
131.04886	1.9
131.08604	1.7
133.06505	1.6
133.10118	3.3
134.03587	0.7
135.04445	1.6
135.08038	1.4
135.11723	4.8
137.05966	2.2
137.09654	1.9
137.13243	1.6
139.11176	3.8
141.06946	0.8
143.10670	42.8
144.10930	1.4
145.02846	20.2
145.06497	0.9
145.10161	2.3
146.07245	2.8
147.04398	1.1
147.08023	1.0
147.11655	4.3
149.05934	3.6
149.09630	1.1
149.13251	4.0
151.03903	1.4
151.07472	3.7
151.11195	1.3
151.14835	3.1
153.09111	1.1
155.08575	1.0
157.10059	0.8
157.12221	2.4
159.07986	0.9
159.11682	2.4
161.05972	1.1
161.13261	3.5
163.03896	1.0
163.07527	2.6
163.11159	1.3
163.14850	0.9
165.09050	1.1
165.12749	2.6
171.10185	3.9
171.11517	0.8
173.05885	0.8
173.13229	1.9
175.11124	0.8
175.14746	1.1
177.05467	35.2
177.09114	1.9
177.12834	1.5
178.05832	1.4
178.09891	7.3
187.03918	1.1
187.07553	2.2
187.14854	1.6
189.11215	7.9
195.06546	1.5
201.05531	1.2
201.16388	0.9
205.06572	0.8
215.06969	1.7
218.07285	0.9
218.09250	1.5
221.06041	0.9
235.07501	0.9
247.07469	1.6
248.08307	1.0
251.07205	1.4
251.10608	0.9
264.07867	2.0
265.08548	2.0
275.23593	1.2
277.21677	1.5
279.10242	1.5
281.08023	0.7
285.14948	0.9
285.22214	1.9
289.08456	0.8
291.23163	0.9
303.16110	1.1
303.23160	5.2
304.23419	0.8
306.08893	0.9
307.09720	4.6
309.24548	0.9
311.12741	1.6
321.09540	5.5
321.24249	10.9
324.09793	1.0
339.12222	8.0
339.18155	1.1
339.25421	4.6
340.12659	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.2
55.01862	1.0
55.05509	40.7
57.03434	19.5
57.06813	1.2
57.07069	17.4
59.05014	0.9
63.90982	0.8
67.05501	32.0
67.21109	0.8
69.07063	54.6
70.07365	1.2
71.04989	3.3
71.08633	10.5
72.07610	0.8
73.06557	1.1
79.05487	12.6
80.25887	0.7
81.07052	40.5
82.07385	1.1
83.08615	40.5
85.06554	1.8
85.10180	5.2
91.05478	3.2
93.07033	17.7
95.08601	34.5
95.09212	1.7
96.08941	1.2
97.06534	5.1
97.10163	23.6
99.08073	1.5
101.06033	1.0
105.07048	2.6
107.08583	11.8
109.10149	15.8
111.08055	4.5
111.11722	7.5
113.09581	0.8
119.08559	2.3
121.10139	19.4
123.11723	5.6
125.09616	2.8
125.13251	1.5
128.42310	0.9
129.09081	1.0
131.08513	1.1
133.10135	1.8
135.11694	12.6
137.05984	1.1
137.13243	2.4
139.11174	1.8
145.10068	1.1
147.11736	1.2
149.13222	8.5
151.14815	1.6
153.12762	2.4
157.10188	1.2
161.13284	1.1
163.14784	4.5
165.16348	1.5
171.11700	1.2
177.16341	1.2
191.17827	1.0
197.13239	1.0
201.16409	1.1
228.72772	0.9
247.24220	3.8
249.09026	1.6
263.07007	1.5
265.25229	3.4
277.08646	1.6
279.06583	1.3
293.08020	1.1
294.08707	1.3
295.09503	1.5
307.05957	2.5
321.07748	1.5
321.27850	4.6
339.08722	2.9
339.28946	100.0
340.29239	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	339.2895
Annotation	Glycidyl oleate
Peak:m/z	Relative Intensity
53.03933	2.4
55.05511	51.6
56.05815	1.2
57.03182	1.6
57.03439	18.6
57.06821	1.4
57.07078	19.0
64.07539	0.8
67.05504	34.7
68.05808	1.3
68.17494	0.8
69.03428	1.1
69.07069	58.8
69.28283	4.9
69.28690	1.7
70.07414	1.5
71.04980	2.4
71.08635	9.5
73.06559	0.9
75.13814	0.8
79.05490	14.1
81.07057	35.1
82.07359	1.1
83.04974	1.6
83.08619	36.7
84.08946	1.5
85.06533	1.9
85.10176	3.4
91.05478	3.3
93.07047	17.5
94.07314	1.0
95.04975	1.4
95.08603	32.9
97.05495	0.8
97.06534	6.7
97.10174	20.6
99.08098	1.3
105.07035	2.4
107.08598	10.2
109.10165	16.8
111.08082	3.5
111.11709	5.9
115.07613	1.1
119.08551	2.5
121.06517	1.4
121.10141	14.7
123.11724	4.7
125.09659	2.1
125.13248	1.7
131.08565	1.4
133.10104	1.3
135.11681	10.9
137.13274	2.5
138.94893	0.8
139.11221	1.5
145.10098	2.7
147.11700	1.8
149.02428	0.9
149.13264	5.5
151.14786	1.7
153.12706	1.3
163.11147	1.8
163.14836	1.4
167.14359	1.2
168.26047	0.8
175.14807	1.0
177.16385	1.7
185.13382	1.1
191.17882	1.1
192.60237	0.8
205.19476	1.0
208.09648	0.9
227.12802	2.9
247.24243	2.6
265.25293	3.8
279.44696	0.8
283.16943	1.9
321.27811	1.5
339.12335	1.3
339.28934	100.0
340.29214	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	339.3257
Annotation	Butyl oleate
Peak:m/z	Relative Intensity
53.03922	2.0
55.01862	3.4
55.05512	52.8
56.05851	1.3
57.03445	4.6
57.06792	1.4
57.07075	26.6
63.94019	1.0
65.03915	1.2
67.05502	35.0
69.07065	63.9
69.33468	0.9
70.07381	2.0
71.04986	8.3
71.08626	11.3
73.06571	1.0
79.05487	13.1
81.07056	43.1
83.04980	6.1
83.08615	39.1
85.06532	12.8
85.10188	5.3
91.05459	4.3
93.07042	17.2
95.08604	39.5
97.06513	7.5
97.10162	25.6
99.08075	3.3
101.06012	0.9
105.07033	4.5
107.08595	13.9
109.10155	23.6
111.04440	1.5
111.08082	6.5
111.11720	6.3
113.09631	3.3
115.07543	1.0
117.07041	1.0
118.32210	0.9
119.08570	2.7
121.10147	15.1
123.11715	9.1
125.09609	1.4
125.13242	2.2
127.11150	0.9
131.08534	2.6
133.10117	1.7
135.11696	12.4
137.13257	3.5
139.11137	2.4
145.10129	3.4
147.11617	1.6
149.13254	6.2
151.14812	2.2
152.54445	0.9
153.12708	1.9
157.10103	1.2
159.11662	0.9
163.11159	1.2
163.14856	2.8
171.11655	1.7
175.14804	3.3
177.16344	1.6
181.12318	1.2
185.13220	1.0
191.17928	1.2
197.13318	1.2
217.62514	0.8
219.21164	1.2
223.14830	1.4
227.12880	2.2
247.24248	1.1
254.26700	0.8
265.25208	2.1
279.21005	2.0
284.42651	0.9
285.67953	1.0
286.92725	1.1
293.22565	2.9
303.30447	2.0
321.28033	1.5
321.31509	18.9
339.23544	10.9
339.28873	16.8
339.32547	100.0
339.77631	1.1
340.29349	1.4
340.32761	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0631
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58555	8.4
57.02072	11.0
69.02950	100.0
73.04755	14.8
76.75565	10.8
85.02823	8.5
91.05785	20.9
98.97626	10.8
100.97614	9.9
137.70093	8.7
139.03876	46.0
147.73685	10.1
208.92970	10.7
256.22708	10.0
277.11856	13.1
282.52768	11.8
341.06055	17.2
341.12119	52.9
359.02655	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	341.0633
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39698	30.6
62.53473	42.1
63.24677	37.6
63.61874	36.4
69.03427	61.0
70.50256	97.9
70.50584	33.3
71.20625	35.4
85.02885	95.6
86.70161	37.5
122.07175	38.0
214.16866	33.0
238.17497	37.2
246.86595	42.0
273.32462	42.6
277.11984	38.1
341.06589	100.0
341.12140	70.6
342.09482	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	341.1017
Annotation	Virgatyne
Peak:m/z	Relative Intensity
51.02361	0.2
53.03933	0.3
55.01864	0.4
55.05507	0.8
56.05838	0.1
57.03439	0.2
57.07065	0.5
65.03939	0.7
66.04725	0.8
67.05505	1.1
68.05833	0.2
69.07072	1.3
69.14046	0.9
69.14458	0.3
71.56969	0.1
77.03919	0.2
77.91753	0.1
79.05495	1.7
79.74981	0.1
81.06605	0.3
81.07044	2.7
82.05200	0.1
82.07400	0.2
83.05029	0.1
83.08624	0.5
83.48835	0.1
84.08936	0.2
85.10178	0.2
91.05471	3.2
93.03374	0.2
93.07030	0.9
94.04181	5.5
95.04948	0.4
95.08599	1.1
96.08949	0.2
97.10172	0.5
105.03416	0.2
105.06987	0.8
107.04932	1.1
107.08579	1.2
109.06512	7.0
109.10147	0.6
110.06831	0.2
111.04430	0.5
115.05457	1.2
117.07034	0.2
119.04864	0.2
119.06046	0.4
119.08533	0.8
121.10138	1.1
122.03640	11.1
123.04457	1.8
123.11726	0.4
129.05426	0.2
131.04868	0.2
133.06503	0.5
133.10130	0.4
135.04430	0.3
135.08049	0.4
135.11678	0.8
137.05969	100.0
138.06299	3.2
143.04926	0.6
145.10121	0.4
147.04411	1.0
147.11681	0.3
149.02322	0.2
149.13234	0.3
151.03935	0.2
153.05528	0.2
155.04926	0.2
159.11606	0.1
160.05168	0.2
161.05971	2.8
161.13261	0.3
163.03845	0.3
165.05389	0.1
165.06953	0.2
171.04417	0.4
173.05971	0.6
173.13235	0.2
175.14912	0.3
176.20755	0.2
177.05481	0.2
178.07779	0.3
179.08537	0.3
181.04956	0.3
187.03880	0.7
187.14897	0.2
189.05466	0.4
189.06982	0.9
190.07745	0.4
191.03397	0.2
191.08563	0.7
198.89856	0.1
199.03867	0.2
199.14708	0.2
201.05347	0.3
201.16293	0.2
205.04871	0.4
205.06613	0.2
205.15919	0.2
206.07213	0.3
207.08043	0.6
213.05396	0.2
215.03314	0.3
217.04919	11.3
218.05324	0.4
218.07089	0.3
219.08142	0.9
219.09869	0.2
221.05943	0.2
223.07600	0.2
226.06209	0.3
231.06487	0.6
234.06735	1.1
235.07503	2.0
236.08026	0.2
237.05348	0.3
237.09074	0.6
245.05891	0.3
247.07549	0.6
249.09238	0.4
250.06248	0.3
252.07861	0.3
253.08546	0.3
254.05756	1.0
257.08102	0.2
262.06213	0.5
263.07034	3.2
264.07678	0.5
265.05017	0.4
265.08603	1.1
267.09961	0.2
269.08054	4.4
270.08295	0.3
277.08459	0.8
279.06607	0.3
279.09744	0.2
280.07269	1.1
281.08002	1.7
282.08856	0.3
291.06503	1.2
292.07129	0.3
295.09659	3.8
295.24130	0.4
296.10275	0.2
297.11179	0.3
305.08075	0.3
308.06754	0.7
309.07541	0.5
323.09106	6.3
324.09445	0.4
340.29337	0.8
341.10172	8.2
341.24838	0.6
341.28900	0.5
342.10492	0.7
342.37268	0.4
364.34302	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1018
Annotation	Virgatyne
Peak:m/z	Relative Intensity
53.03947	0.3
55.01861	0.8
55.05503	1.0
57.03427	0.3
57.07064	0.5
65.03949	0.5
66.04717	0.8
67.05499	0.9
69.07065	1.0
70.07413	0.3
71.08603	0.3
77.03926	0.3
79.05490	1.6
81.07047	3.0
83.08615	0.7
84.08968	0.3
85.02940	0.3
91.05476	3.3
93.07037	0.8
94.04183	6.3
95.04969	0.4
95.08594	1.0
96.08953	0.3
97.10210	0.2
98.23407	0.5
105.07028	0.7
107.04959	0.7
107.08574	0.5
109.06518	6.6
109.10156	0.5
111.04482	0.5
115.05441	1.6
117.06999	0.3
119.06068	0.3
119.08607	0.3
121.10133	0.6
122.03646	13.2
123.04494	2.0
125.06006	0.3
125.45349	0.2
131.04889	0.2
133.06477	0.5
135.04437	0.3
135.11659	0.5
137.05974	100.0
138.06320	3.1
143.04900	0.5
143.08356	0.2
145.10143	0.3
146.03671	0.2
147.04422	1.3
149.02368	0.3
149.13283	0.2
159.11609	0.3
161.05962	2.5
171.04318	0.3
173.05940	0.5
175.03941	0.3
181.05075	0.2
187.03897	0.4
187.14761	0.3
189.05533	0.5
189.06972	1.3
190.07622	0.4
191.03441	0.4
191.08546	0.5
199.04005	0.4
201.05492	0.3
205.04924	0.3
206.07266	0.5
207.08054	0.6
213.05455	0.3
217.04938	11.2
218.05284	0.7
218.07214	0.4
219.08025	1.1
226.06227	0.5
231.06532	0.4
234.06653	1.2
235.07561	1.7
237.05286	0.3
237.09093	0.4
245.05986	0.2
247.07611	0.6
249.05399	0.3
249.09007	0.4
250.06261	0.4
252.07753	0.3
254.05753	1.4
256.07196	0.3
257.08044	0.5
262.06326	0.5
263.07022	3.3
264.07709	0.7
265.05249	0.2
265.08591	0.8
266.05545	0.2
269.08096	4.4
270.08398	0.6
277.08563	0.8
279.06500	0.5
280.07327	1.4
280.65671	0.2
281.08078	1.7
285.22250	0.2
291.06506	1.2
292.06903	0.3
295.06503	0.3
295.09656	3.5
296.10190	0.3
297.11145	0.6
305.08069	0.3
308.06662	0.6
309.07678	0.4
313.17844	0.2
313.98254	0.2
323.09103	5.6
324.09387	0.5
340.29358	1.1
341.10156	8.2
341.29147	0.3
342.10477	0.5
342.37518	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1019
Annotation	Vitrofolal F
Peak:m/z	Relative Intensity
55.05508	3.9
57.07085	3.5
67.05511	5.0
69.07056	3.8
70.28670	1.7
70.53218	4.0
76.10613	1.6
79.05497	4.6
81.07044	5.7
83.08627	3.7
85.02893	9.8
87.56096	1.5
89.03892	1.6
90.09397	1.6
91.05476	4.9
93.07053	5.0
94.04198	3.8
95.08613	7.0
97.94429	1.5
105.07041	5.3
107.04979	1.6
107.08610	6.5
109.06522	3.4
109.10147	4.3
111.04469	2.6
115.05453	2.7
119.08562	5.0
121.10159	4.5
122.03636	9.3
123.04430	32.3
131.04913	2.2
131.08557	2.2
135.04414	1.8
135.11649	2.9
137.05971	100.0
138.06294	2.5
143.04980	2.6
144.92180	1.6
145.10173	2.6
146.03659	2.1
147.04390	17.2
147.05426	1.7
147.11661	2.2
150.05794	1.6
151.03986	3.7
155.05948	1.7
159.11740	2.0
161.05971	12.9
161.13336	2.1
163.07603	3.1
167.03351	7.8
173.05959	3.3
173.13206	2.5
175.07558	3.1
175.14891	1.9
177.05524	4.5
179.08514	3.6
181.04990	2.1
187.03906	2.5
187.07547	2.7
187.14796	2.7
189.06958	11.4
190.07582	1.9
191.03491	2.3
191.08527	2.4
197.06036	2.5
205.04961	5.1
207.08086	5.1
211.07545	4.3
213.05434	17.0
217.04668	10.2
217.06772	7.7
218.07172	3.1
219.08080	6.5
221.06102	2.9
225.05510	1.7
226.06186	5.3
231.06477	2.7
234.06741	13.7
235.07509	30.9
236.08092	5.1
237.05548	2.3
237.09041	3.2
239.07130	4.3
241.04919	9.1
242.05789	4.0
245.05937	2.8
247.07623	5.1
249.05396	2.4
249.09048	8.3
250.06363	2.9
251.06947	2.0
252.07890	4.5
253.08603	2.0
256.07306	52.3
257.07993	22.3
258.08484	1.6
262.06290	6.1
263.07028	49.3
264.07648	8.4
265.08667	4.3
266.05652	2.0
267.06488	2.1
267.10214	3.6
269.08130	3.7
271.21271	1.6
277.08575	17.8
278.08975	2.5
279.10394	2.6
280.07300	9.4
281.08005	12.9
282.08804	1.7
291.06580	9.4
292.07120	1.8
295.09598	33.3
296.10077	2.0
297.11243	1.7
305.08093	3.7
308.06757	3.6
309.07565	5.8
323.09137	23.1
341.10193	65.5
341.20688	4.2
341.24792	4.2
342.10535	6.6
342.37311	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	341.1019
Annotation	Vitrofolal F
Peak:m/z	Relative Intensity
51.54869	0.2
55.01832	0.4
58.96482	0.2
61.66510	0.2
67.05470	0.6
68.99775	0.3
69.03406	0.3
69.14865	2.2
79.05484	0.6
81.03384	0.5
83.04957	0.2
86.75152	0.2
91.05450	0.6
91.54686	0.3
93.03393	0.4
93.07001	0.5
95.04924	0.4
95.08557	0.3
97.02864	0.3
103.05411	0.4
105.07002	0.5
107.04978	1.4
109.06509	0.3
109.10120	0.3
110.03595	0.8
111.04398	0.4
115.05422	0.2
121.02847	0.4
121.06470	0.5
125.02320	0.8
125.05947	0.6
128.06223	0.4
131.04916	0.3
132.05684	1.5
133.06488	2.6
134.07205	0.8
135.04430	4.4
135.07951	0.3
136.01569	1.7
137.05972	2.2
138.03116	2.1
149.02391	0.3
151.03897	0.7
151.07491	1.0
153.01836	2.7
153.05466	0.2
153.06909	0.2
154.02574	0.7
159.07983	0.3
160.84895	0.3
161.05969	0.8
161.09531	0.2
162.06705	0.9
163.03903	0.3
163.07581	1.6
165.01846	1.3
165.09074	0.5
166.02617	1.9
169.06482	0.7
175.07521	0.5
177.09103	0.3
178.09904	2.2
179.03366	1.3
179.08537	0.4
181.06441	0.5
181.12230	0.5
182.07262	0.4
183.04443	0.4
184.03644	0.5
187.07407	0.4
188.08356	0.7
189.05406	0.6
193.10063	0.7
195.08067	0.7
196.05258	0.3
196.08844	0.3
197.05920	0.7
197.09601	0.9
199.03906	0.6
199.07608	0.3
201.09161	0.3
203.10632	0.9
206.07277	0.3
207.02885	3.6
209.04442	5.5
209.06281	0.4
209.09563	0.3
210.06813	0.3
210.10411	0.4
211.07509	0.7
212.08240	0.4
213.09146	0.4
214.06282	2.1
221.09555	0.9
223.07556	0.4
224.08253	0.4
225.09082	1.2
227.03395	0.9
227.06985	1.1
227.10568	0.4
228.11375	0.5
229.08548	1.1
235.07507	0.4
237.05502	0.5
237.08934	0.4
238.09776	0.6
239.10603	0.9
240.07727	1.3
241.08595	1.7
242.05775	1.6
242.09450	0.6
243.06483	1.1
248.08363	0.4
249.09129	0.6
250.06050	0.3
251.06987	0.4
252.07890	0.4
253.08568	0.9
253.12213	1.1
255.06517	4.3
255.10156	1.0
256.10934	0.3
257.08173	1.4
257.11676	1.0
263.10629	0.8
265.05069	0.4
265.12372	0.3
267.06476	0.7
267.10095	0.6
268.07327	1.7
269.08075	4.6
270.05563	0.5
270.08810	4.8
271.09488	0.7
277.08527	0.3
281.08099	1.2
281.11691	1.1
282.05032	0.3
282.12524	0.9
283.06073	0.9
283.09491	0.4
284.10471	0.3
285.07571	2.5
285.10861	0.5
286.07809	0.4
291.10184	0.5
295.13358	0.4
296.06876	1.8
297.07559	17.7
298.08337	35.2
299.08719	2.9
300.13535	0.5
309.11279	1.0
311.05475	4.4
311.09119	1.9
313.07040	13.7
313.14227	3.0
314.07370	1.1
314.14716	0.3
323.12674	0.5
324.06256	2.3
325.06760	0.4
326.07977	1.3
327.08170	0.4
339.08612	13.1
340.08939	1.6
341.10193	100.0
341.13684	6.4
342.10538	8.0
342.14520	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1019
Annotation	CHEMBL1801783
Peak:m/z	Relative Intensity
54.47304	0.2
69.90468	0.9
91.05473	0.3
95.08606	0.4
108.05759	0.2
110.03674	0.6
111.90072	0.3
121.06477	0.2
125.02356	0.4
132.05716	0.7
133.02866	0.3
133.06499	1.4
133.38333	0.2
134.07257	0.5
135.04388	2.4
138.03062	1.2
153.01816	1.8
161.05980	0.6
165.01805	1.2
166.02617	1.2
177.05521	0.8
184.03683	0.5
191.03334	0.3
195.02794	0.3
199.28165	0.3
201.05557	0.4
207.02916	1.0
209.04462	3.4
225.09140	0.4
227.07033	0.9
240.07446	0.3
241.08554	0.8
242.09271	0.3
243.06636	1.3
253.08591	0.4
254.05643	0.4
255.06487	3.0
269.08090	3.9
269.10794	0.4
270.08817	3.6
281.08163	2.2
283.05975	0.7
297.07584	13.3
298.08337	24.3
299.08676	1.9
311.09247	1.6
312.09772	1.7
313.07111	5.7
313.10754	0.8
314.07516	0.5
325.07065	0.7
326.07846	4.1
327.08051	0.6
341.10190	100.0
342.10522	8.9
342.14685	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1018
Annotation	Cornigerone
Peak:m/z	Relative Intensity
52.63696	1.2
52.77808	1.3
53.03959	1.5
55.01871	61.5
55.05501	2.9
57.33149	1.2
65.03937	6.5
67.05485	2.1
69.03739	7.3
69.04166	5.7
69.07042	1.8
71.04937	1.5
73.04767	1.4
79.05476	5.8
81.03391	2.0
81.07048	3.2
83.04977	1.7
85.02905	2.7
91.05448	8.5
93.03399	2.3
93.07043	9.5
95.04966	3.0
95.08595	3.9
96.02090	4.8
97.10143	1.6
98.23344	2.2
103.05464	4.5
105.07018	13.2
107.01293	1.7
107.04964	3.0
107.08604	3.1
110.61123	1.4
111.04447	14.2
115.05455	9.7
117.07006	2.3
119.04929	1.8
119.08559	2.3
121.02852	3.5
121.06484	2.3
121.10154	1.5
123.04441	3.5
123.08057	1.4
125.09511	1.4
128.06181	2.3
129.07042	2.8
130.04126	1.7
131.04900	7.8
133.02855	2.4
133.06480	24.0
135.08035	3.1
137.05980	8.7
138.06300	2.1
139.03883	8.9
141.07011	2.0
143.08568	2.7
144.05717	2.5
145.06485	11.5
146.03609	2.1
146.07228	1.8
147.04411	3.9
149.05959	2.3
151.03952	2.4
151.07547	3.3
152.06145	3.0
153.05498	3.5
153.06985	8.1
153.09082	2.7
156.05675	1.6
157.06575	1.9
159.04427	3.3
160.05194	2.4
161.05975	31.0
162.06662	3.2
163.03893	1.4
163.07541	1.5
165.06981	14.3
166.07692	2.4
167.03441	5.4
167.07053	2.5
167.08502	3.1
168.05692	2.6
169.06474	3.4
170.03639	4.5
171.04282	2.4
171.05577	2.6
171.08073	4.3
172.05170	2.7
173.06006	12.9
174.06755	13.9
175.03856	1.5
175.07495	5.9
176.06213	2.4
177.05574	1.5
177.06998	4.4
178.07790	4.6
178.60379	1.3
179.08542	3.6
181.06490	19.8
182.07289	7.1
183.07990	2.7
184.05177	3.2
185.06006	4.0
186.03111	3.0
187.03879	3.1
187.07549	5.1
189.05457	50.2
189.06870	2.0
189.11087	1.2
190.05893	2.7
191.08569	1.7
192.05684	4.5
193.06450	7.0
194.07268	5.7
195.08092	5.7
196.05231	1.8
196.08867	1.4
197.05977	4.0
197.09630	3.8
198.06754	4.5
199.03908	1.6
199.07530	6.4
200.04538	1.4
201.05479	28.1
202.06215	13.5
203.06952	6.1
203.08630	1.3
205.06514	5.7
206.07216	3.8
207.08046	5.7
209.05963	14.0
209.09561	1.2
210.06734	17.9
211.07530	8.4
212.04626	3.7
213.05482	1.3
213.09105	4.0
215.07062	2.6
217.08441	1.8
219.19872	1.3
220.05154	9.6
221.05957	17.1
222.06796	6.3
223.07430	6.2
224.08263	7.5
225.05490	2.9
225.09102	10.7
226.06253	4.2
227.07045	22.0
228.07550	2.1
229.04984	2.2
233.06038	3.7
234.06775	5.1
235.07542	14.7
236.08171	2.5
237.05446	17.3
237.09053	2.1
238.06219	15.0
239.03313	1.8
239.06998	10.1
239.10797	1.8
241.04807	1.6
241.08560	6.6
242.05653	1.6
242.09286	1.7
243.06554	7.7
248.04604	6.1
249.05440	15.1
249.09137	2.6
250.06186	10.5
251.07013	10.1
252.07816	17.7
253.05469	2.6
253.08560	47.8
254.05704	1.9
254.09039	4.4
255.06500	22.1
256.07178	6.5
257.08032	1.8
258.08920	2.7
263.07028	33.3
264.07770	5.2
265.04962	19.9
265.08554	6.8
266.05612	10.9
266.08328	1.5
266.09595	1.7
267.06503	22.4
267.10129	10.1
268.07181	3.0
269.08093	4.5
270.08820	7.5
276.07755	1.6
277.04953	6.0
277.08176	2.2
278.05777	3.0
279.06564	7.4
280.07327	20.7
281.08099	43.3
281.11111	1.6
282.05518	2.6
282.08774	7.5
283.06088	14.3
283.09198	2.3
285.11099	8.8
287.09067	10.2
291.06528	7.0
291.09863	2.1
292.07162	7.3
293.07880	1.5
294.05115	2.5
295.06049	3.7
295.09644	17.1
296.10034	2.7
298.08310	10.1
308.06808	4.5
309.07593	51.3
309.11133	7.8
310.08255	23.2
311.05576	1.9
311.08990	4.2
311.12540	2.1
313.07025	1.8
313.10669	23.0
313.14075	1.6
314.11227	1.6
323.09134	41.3
323.12451	1.8
324.09244	2.3
326.07852	4.3
341.10178	100.0
341.13861	12.8
341.18686	6.7
342.10394	7.6
342.14032	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.6
65.03931	1.0
65.37730	0.7
67.05505	1.4
68.99801	1.0
69.03436	0.7
69.34756	0.7
70.61371	2.2
73.04745	3.0
79.01878	0.8
79.05497	0.9
81.03407	1.7
85.02911	1.0
91.05827	5.7
95.04960	1.8
97.02879	2.3
98.98449	1.1
107.04963	0.7
109.02886	1.1
110.07191	1.3
111.04427	2.7
119.04961	1.0
123.04411	3.5
127.03910	1.9
135.04390	1.0
137.05980	3.0
139.03893	19.5
147.04401	2.7
149.02217	0.8
151.03903	3.4
163.03958	1.0
164.04932	0.8
165.05493	0.9
167.03294	1.2
167.07054	0.9
179.03340	3.0
181.04942	3.8
185.05910	1.0
197.81963	0.8
201.05379	0.8
201.40410	0.8
205.04729	20.3
207.07721	1.7
217.05025	0.9
219.06268	3.0
240.04144	1.8
242.07999	0.9
243.06583	0.9
252.98372	0.9
261.07581	1.7
266.07590	6.5
269.04443	3.5
287.05447	4.5
305.06522	3.0
340.29050	0.9
341.12045	100.0
342.12375	5.4
344.33496	0.8
359.02805	3.6
360.02625	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.5
55.01868	2.3
57.03425	1.9
59.04989	0.5
60.82292	0.2
61.02891	0.7
62.54409	0.2
69.03427	15.4
69.67136	0.9
70.03705	0.2
70.06566	0.3
71.01311	0.8
71.04990	5.9
73.02879	0.8
73.04715	0.4
74.47808	0.2
79.05467	0.5
81.03416	18.7
81.07007	0.4
82.03712	0.2
82.42148	0.2
83.04947	0.2
85.02882	0.6
86.65415	0.2
87.04430	0.6
91.05381	0.4
97.85667	0.2
98.06019	0.3
99.04450	6.5
100.04762	0.3
101.10394	0.2
103.05444	0.2
105.07032	0.5
106.06530	0.6
107.04942	0.2
108.08074	0.6
109.06493	0.3
117.05473	1.6
117.09094	0.6
118.05208	0.3
118.06570	0.3
122.06001	0.3
127.07494	0.5
133.06566	0.3
133.07607	5.2
134.05989	1.9
135.09138	0.7
137.05957	0.9
139.03880	0.3
140.07040	0.6
145.07617	0.2
147.04353	0.2
148.06223	0.4
152.07010	0.2
159.09174	0.2
160.07550	0.8
160.56157	0.2
161.07095	11.1
162.05510	0.4
162.07477	0.3
163.08655	6.6
163.58667	0.2
164.05775	0.3
164.08994	0.3
167.07019	0.3
171.74396	0.2
177.06641	0.4
178.07396	1.3
179.03374	1.6
179.08214	1.7
179.10594	0.2
189.06575	6.3
191.06523	0.4
191.08139	5.8
192.08600	0.3
203.08101	0.2
205.06273	0.2
206.06863	0.5
207.07639	100.0
208.07962	3.5
215.08203	0.3
219.07616	0.9
221.09335	0.4
231.07649	0.9
231.11389	0.5
241.09644	0.2
247.10753	0.6
249.08684	1.6
261.08731	0.3
271.09824	0.3
287.10159	0.8
305.11359	2.4
313.03519	0.3
315.78152	0.2
323.12354	31.1
324.12656	2.0
341.02759	0.5
341.13431	19.1
342.13690	1.3
359.02881	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82492	0.5
53.03924	1.8
53.75725	0.5
55.01841	1.4
57.03441	2.4
59.04978	0.6
61.02901	0.9
65.71951	0.5
69.03429	14.0
69.70628	1.9
69.71045	0.9
71.04995	4.4
72.39905	0.4
73.02894	0.9
80.86286	0.4
81.03416	15.6
87.81149	0.5
94.35548	0.4
99.04453	5.7
106.06560	0.8
117.05470	2.0
132.17801	0.6
133.07603	5.2
134.06009	1.5
135.09200	0.7
137.05980	1.4
161.05873	0.6
161.07101	9.4
163.08665	7.8
178.07393	1.1
179.03366	1.7
179.08162	1.2
189.06598	6.7
191.08156	5.8
193.36348	0.5
200.01271	0.5
207.07642	100.0
208.07968	4.2
217.08424	0.5
222.57985	0.5
229.09508	0.5
248.08054	0.5
249.08698	1.3
305.11365	1.6
323.12357	31.1
324.12665	1.1
334.22766	0.5
341.13425	22.8
342.13766	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61077	0.9
53.03938	2.1
55.01871	3.0
57.03436	2.6
59.51194	0.9
60.94301	0.8
61.02903	1.2
65.03920	0.8
67.05477	1.0
68.99773	1.0
69.03428	15.1
70.06580	1.2
70.50730	1.7
70.51102	2.0
71.01356	1.4
71.04990	3.7
72.48834	0.9
73.02915	1.4
73.04748	2.6
73.26064	0.9
76.02711	0.9
77.15229	0.8
79.05481	1.8
81.03410	16.3
91.05785	5.6
95.04979	1.4
97.02863	4.4
99.04454	4.7
106.06550	3.8
111.04479	0.9
116.05001	1.2
117.05494	1.2
118.06477	1.0
119.91627	1.0
123.04479	2.1
127.03909	1.3
133.07607	6.9
135.09174	1.6
136.07573	0.8
139.03894	15.8
145.07597	2.2
146.08409	2.4
147.09155	3.0
151.03902	2.7
161.07079	41.5
163.03946	0.9
163.08669	4.8
173.07097	10.3
174.39906	0.9
175.08684	3.8
179.03404	4.1
181.04930	2.8
189.06590	19.0
190.06984	1.7
191.08153	24.5
191.09863	1.7
203.08145	2.0
207.07626	50.1
217.09808	1.1
219.06165	1.1
238.16496	1.1
241.09525	2.0
259.10800	1.8
262.31094	0.9
269.04355	1.8
277.11780	2.8
287.05441	1.7
287.10291	3.4
295.12833	7.9
305.06427	2.1
305.11282	12.2
323.12335	100.0
324.12466	6.4
341.13019	3.7
342.99783	1.8
359.02725	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	341.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49520	2.7
53.03938	2.8
55.01866	7.7
55.05516	21.8
57.03427	2.8
57.07068	3.1
59.04982	3.6
60.18694	2.6
61.79573	3.0
65.03916	3.7
67.05504	26.8
69.03430	5.8
69.04599	30.4
69.07077	21.1
71.04982	3.4
75.24682	2.5
76.85803	2.5
77.13302	2.6
79.05492	22.7
81.07053	39.4
83.04958	8.5
83.08624	16.7
85.02898	2.6
85.06598	3.3
91.05470	13.3
93.03396	4.4
93.07052	26.0
95.04971	7.6
95.08607	50.9
97.06519	11.0
97.10165	14.4
103.05436	3.7
103.87474	2.6
104.93540	2.6
105.07027	23.4
107.08580	18.2
109.06505	9.6
109.10162	10.3
111.08044	3.5
115.05450	2.9
117.07004	4.3
119.04941	3.3
119.08603	15.4
121.10144	22.2
123.04370	2.8
123.08061	39.3
123.11700	3.5
125.05978	12.9
125.09620	12.5
129.06958	4.6
131.08580	5.6
133.06490	4.4
133.10144	8.5
135.11699	10.4
137.05984	14.5
137.13237	6.6
141.09090	5.5
143.08592	3.6
144.06432	3.1
145.10097	5.1
147.08015	3.3
147.11671	7.8
149.13356	4.1
151.03883	9.1
151.07513	28.2
153.05414	6.1
153.09093	3.3
157.10089	2.6
159.11615	5.4
161.05994	5.0
163.11154	2.8
165.06967	6.6
167.08510	2.9
169.06433	8.7
169.08588	7.3
169.10077	3.5
171.04469	5.1
171.11684	5.8
173.13080	3.2
175.07545	3.1
175.14786	4.5
175.59825	2.6
178.07867	7.8
179.08559	8.5
180.05608	3.1
181.06480	4.2
183.04454	4.5
183.08084	5.2
187.09651	7.9
188.08209	4.2
189.09131	4.5
189.11130	6.7
193.10092	13.0
195.08043	10.8
196.08812	4.1
197.05965	12.8
197.09546	6.6
198.06711	4.9
199.03877	11.2
201.05411	4.3
201.09065	5.7
203.08475	3.2
206.07315	3.6
207.08006	7.7
209.09427	4.2
210.06683	4.5
210.10368	3.3
211.07529	5.4
211.10971	4.0
213.09154	5.6
214.06290	15.5
217.08508	3.3
220.08807	3.6
221.06073	4.0
221.09628	12.4
223.07494	7.4
224.08286	8.1
225.05455	4.1
225.09056	15.0
226.06229	12.4
227.03383	24.2
227.10529	5.6
228.11412	9.1
229.08565	12.2
234.06665	4.7
235.07510	7.5
237.09120	5.0
238.09882	11.4
239.06993	4.9
239.10728	14.3
241.08644	18.5
242.05739	33.7
248.08276	9.4
249.09146	10.9
250.09831	4.3
251.06955	6.1
253.08435	5.6
253.12270	21.8
255.10136	14.0
257.08087	34.4
257.11655	4.7
263.10660	8.0
265.08536	6.0
265.12250	3.4
266.09296	5.4
267.10175	9.0
267.13525	3.3
269.08105	7.2
270.05115	12.1
277.08408	3.9
281.11700	16.9
282.12534	9.1
283.09796	6.8
284.10492	4.0
285.07614	61.0
285.10773	4.8
285.14786	11.8
286.08005	4.1
287.23676	4.1
291.10144	11.7
295.24191	4.4
297.14749	4.9
305.21295	3.1
305.24734	11.5
309.07950	4.5
309.11038	17.8
310.11707	3.4
313.14258	36.7
314.14261	3.3
323.22498	3.0
323.26001	4.0
341.10452	4.4
341.13812	100.0
341.20496	4.2
341.24713	11.8
342.14008	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	341.1381
Annotation	(2,4-cis)-4,5,6-Trimethoxy-[2'',3'':7,8]furanoflavan
Peak:m/z	Relative Intensity
55.01857	0.5
55.05511	0.5
67.05466	0.5
69.82323	1.4
71.45625	0.5
79.05514	0.5
81.07043	0.5
83.29620	0.4
91.05463	1.0
93.07037	1.8
97.33375	0.3
100.11222	0.6
100.84988	0.3
103.05412	0.6
105.07028	0.5
107.04915	0.4
107.08576	0.6
119.04867	0.3
129.06990	0.5
129.45486	0.3
133.10052	0.4
135.08061	0.6
137.05948	1.4
137.46959	0.3
145.06464	0.3
147.04349	0.5
149.05956	0.6
151.03906	0.5
152.71414	0.4
153.06998	0.4
161.05956	0.5
162.06741	0.6
165.06966	2.6
166.07758	2.9
169.06529	0.5
177.05496	0.4
177.06943	0.9
178.07750	1.9
179.08511	1.2
181.06447	1.3
182.07306	0.4
182.15396	0.4
187.07602	0.4
193.06465	0.6
194.07268	5.4
195.07959	1.1
201.56166	0.4
202.07771	0.5
203.08548	0.6
205.06465	1.6
206.07248	1.9
207.08015	1.1
209.05899	0.7
209.09599	4.0
211.07602	0.5
219.07991	1.1
220.08751	0.6
221.05980	2.3
222.06737	17.8
223.07350	2.2
224.08269	1.3
224.48317	0.3
231.07988	0.4
234.06740	4.2
235.07503	3.6
235.11165	0.5
236.08221	1.5
237.05486	0.7
237.09081	5.4
238.06113	0.4
238.09846	1.6
239.06909	0.4
247.07552	0.6
248.08284	0.6
249.05403	0.5
249.09052	1.0
250.06216	10.8
251.06908	3.2
252.07770	3.8
253.08350	0.9
254.09258	0.4
259.07697	0.4
261.09467	0.4
263.07043	1.2
263.10529	0.8
264.07718	2.1
265.08572	84.6
266.09106	9.7
267.06583	0.8
267.09891	0.8
277.08569	0.8
279.06393	0.6
279.10193	0.4
280.07239	1.3
280.10571	0.6
281.08646	0.5
281.11707	2.9
282.08838	0.9
291.10019	0.6
293.08173	0.4
294.08951	0.7
295.09647	0.8
308.10382	0.9
309.11169	100.0
310.11572	7.9
323.12714	0.9
341.13800	30.2
341.18973	1.5
341.37527	0.4
342.14041	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.138
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
55.01876	13.4
55.05500	3.5
65.03931	3.4
67.05494	3.7
69.03445	1.7
69.07058	2.1
69.49142	9.9
79.05479	4.8
81.07052	4.2
83.08608	1.3
85.59335	1.7
89.03909	2.9
90.86355	1.3
91.05478	13.2
93.03388	2.2
93.07021	3.4
94.04182	2.4
95.04951	3.2
95.08614	4.5
97.06557	1.6
103.05461	26.4
105.07021	4.2
107.04928	5.4
107.08578	2.6
111.04427	4.3
115.05470	2.9
117.03388	3.6
117.07002	3.6
119.04904	4.1
121.06501	5.9
121.10161	1.5
122.03659	4.6
125.06000	4.0
128.06244	8.1
129.06999	14.8
131.04912	17.5
131.08562	2.0
133.06477	3.7
134.03630	2.8
135.04404	3.2
135.08051	2.8
135.11734	1.8
137.05968	33.5
139.05408	2.7
143.08504	2.1
145.02831	4.5
145.06485	3.1
146.03618	1.8
146.07272	2.8
147.04366	4.2
147.08020	1.5
148.05161	3.4
149.05991	9.6
151.03885	6.5
151.07535	12.4
153.05453	2.6
153.09038	2.0
154.65077	1.5
156.05656	3.0
157.06476	14.5
161.05977	5.0
163.03851	2.4
163.07542	11.9
164.08376	3.0
165.09109	3.2
167.04922	4.3
167.07045	2.0
173.06073	2.3
174.06764	16.1
175.07518	6.0
177.05457	15.4
184.05212	1.9
185.05957	6.6
188.08228	2.0
189.07362	2.1
189.09088	15.3
191.06981	2.7
193.10045	2.0
195.08003	1.8
199.07565	13.3
202.06213	6.9
202.07755	6.5
203.07036	2.0
203.08611	11.7
205.06406	4.5
217.08580	16.2
219.08051	4.8
220.08847	5.6
221.09531	3.9
225.09074	3.2
231.08047	20.8
232.09081	1.3
233.05949	4.7
234.06816	1.7
235.07426	3.6
237.09116	4.4
238.09630	1.7
247.07458	3.7
248.08295	16.3
249.08975	4.3
249.55357	1.7
251.07028	2.6
253.12241	1.8
255.10316	1.5
259.07501	19.0
260.08057	2.9
261.05402	2.5
263.07159	4.2
263.10648	21.9
264.07687	1.6
265.08633	10.8
266.09235	2.4
273.09094	1.9
275.06952	2.3
276.07776	15.1
277.08517	5.3
279.06531	10.8
279.10141	7.6
280.07111	2.5
280.10901	3.3
281.11740	3.6
283.09702	1.7
285.07330	2.6
290.09344	2.0
291.10129	100.0
292.10687	9.8
293.08081	10.0
294.08835	13.7
295.09445	4.2
295.12958	2.2
297.86594	1.6
305.11719	2.1
308.10376	28.2
309.10873	5.5
313.06082	1.7
313.14264	6.1
323.12759	96.0
324.13052	6.5
340.28250	14.9
341.09607	14.0
341.13785	30.4
341.24820	2.5
341.28568	10.8
342.14194	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	341.1384
Annotation	Moracin T
Peak:m/z	Relative Intensity
55.05499	7.0
62.85039	2.7
67.05485	11.9
69.03417	5.2
69.07056	9.3
71.33670	3.1
79.05502	6.7
79.49927	2.5
80.63316	2.6
81.07047	14.9
83.04974	8.2
83.08609	5.8
85.05589	2.7
85.58278	2.7
91.05474	8.7
93.03406	4.0
93.07024	12.9
95.08584	16.3
97.06503	3.0
97.10135	5.3
105.06998	8.8
107.04953	10.6
107.08595	9.3
109.06469	4.6
109.10147	7.3
111.08073	4.6
119.08565	8.2
121.06477	4.2
121.10140	6.5
123.08041	4.8
125.06013	14.6
131.04926	3.7
133.10153	7.4
135.08035	5.2
135.11725	4.6
137.05957	26.2
141.06900	3.4
145.06476	3.5
145.10124	4.9
146.07346	4.2
149.02347	6.0
151.03876	5.5
151.07561	11.7
153.05478	5.5
153.06978	3.4
159.11713	3.8
161.05971	7.9
161.13278	4.4
162.06763	8.4
163.07602	14.5
165.06998	7.7
165.09079	4.6
167.08548	4.6
169.06473	4.8
171.04295	3.5
171.11700	3.8
173.05928	3.3
175.07507	6.5
177.09061	3.0
178.07735	7.2
178.09874	9.2
179.08551	7.3
180.09309	3.4
181.06522	5.3
181.12170	3.3
182.07188	4.2
183.04401	5.3
183.08022	3.9
185.05910	4.5
185.09692	2.9
186.03085	3.7
186.06728	6.4
187.50845	3.6
188.08348	4.6
189.05420	5.6
189.09024	4.9
193.04918	7.3
193.10103	12.4
195.08069	15.5
196.08836	4.5
197.05994	14.1
197.09573	9.7
197.13164	3.6
198.06664	3.7
199.03908	10.4
199.07442	3.4
201.09016	4.9
201.16345	4.0
203.10690	7.4
207.08104	9.6
209.09561	5.8
210.06816	5.6
211.07544	8.1
213.09001	6.2
214.06216	21.0
219.07803	4.0
221.09584	11.5
222.10378	6.7
223.07513	8.8
224.08150	3.9
225.05472	3.8
225.09149	17.0
226.06139	9.8
226.09872	3.7
227.03387	24.5
227.10634	9.0
229.08563	12.4
233.09460	5.2
234.06863	4.1
235.07379	7.3
238.09859	13.2
239.10556	8.9
241.08574	20.4
242.05771	30.5
242.09335	6.0
248.08365	7.2
249.09026	11.7
251.07118	6.0
253.08545	8.0
253.12230	18.9
255.10150	15.1
257.08121	28.9
257.11703	12.7
263.10699	7.6
265.08569	9.2
265.12228	4.8
266.09393	6.4
267.10132	8.1
269.08154	7.0
270.05200	13.4
270.12393	5.1
271.13013	3.7
276.07892	4.9
281.11832	20.5
281.14487	4.8
282.12372	14.2
283.09625	8.3
284.10403	7.6
285.07596	65.7
285.10834	6.3
285.14850	9.5
288.39154	3.2
291.10150	10.5
294.12698	3.1
295.09494	4.1
295.13293	4.7
298.11908	3.2
300.13663	3.6
305.24768	3.7
309.11179	16.3
312.09833	3.4
313.14291	48.5
323.12827	4.9
341.10275	6.2
341.13806	100.0
341.20374	4.4
341.24728	8.3
341.28317	6.3
342.14240	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	341.1382
Annotation	Moracin T
Peak:m/z	Relative Intensity
52.59747	1.1
53.03931	1.2
55.01863	3.1
55.05510	15.3
57.03436	2.1
57.07076	1.4
59.04987	2.3
65.03945	2.6
65.43899	0.9
67.05501	10.7
69.03426	4.6
69.07063	14.0
69.45346	5.6
73.06558	1.0
79.05492	11.4
81.03432	1.1
81.07059	16.2
83.04989	5.9
83.08626	6.7
85.06520	1.4
91.05476	8.4
93.03412	4.2
93.07036	11.7
94.17631	1.2
95.04957	3.1
95.08600	8.8
97.06540	5.1
97.10162	14.0
103.05476	2.3
105.07035	5.0
107.05040	1.4
107.08598	9.2
108.02089	1.4
109.06528	4.7
109.10135	3.4
111.11665	1.6
115.05547	1.2
117.07040	2.4
119.04993	2.8
119.08597	2.6
121.06510	2.5
121.10145	10.3
121.66283	1.1
123.08076	5.4
123.11704	1.8
125.05979	18.1
125.09632	10.6
129.06990	2.9
131.04947	1.7
131.08534	1.8
133.06512	3.2
133.10127	2.9
135.04419	2.3
135.08078	2.2
135.11687	4.6
137.05959	16.1
139.11163	11.7
141.07011	4.2
143.04895	2.2
145.10095	1.9
146.03635	2.7
147.11684	1.4
149.05983	1.9
149.09605	2.0
151.03929	9.5
151.05051	1.7
151.07532	13.7
153.05460	7.5
153.06792	1.9
153.09100	4.6
153.12764	2.0
154.07710	1.2
155.04971	2.1
155.08559	1.9
157.06526	4.0
157.10178	1.4
158.07272	2.4
159.04259	1.1
161.06050	6.7
161.09595	1.5
165.07014	5.1
165.09116	2.5
167.08571	5.1
167.10664	2.6
168.05719	1.9
168.09233	1.5
169.06467	12.3
169.10187	1.3
171.04398	4.6
171.08035	1.3
174.06732	2.5
175.07558	4.2
177.05489	2.7
177.06979	1.9
178.07719	7.1
179.08553	6.1
181.06517	4.0
182.07294	4.3
182.10889	1.1
183.04425	5.1
183.08061	4.6
184.05141	1.8
185.05972	4.1
185.09615	2.5
186.03229	1.8
186.06796	6.2
187.07523	2.7
188.08321	1.6
189.05432	2.6
189.07018	1.7
189.09108	5.2
189.11223	9.5
190.07794	2.8
191.08475	2.0
192.09363	3.1
193.06522	3.2
193.10124	14.1
195.08011	12.8
195.16702	1.2
196.05168	2.6
196.08800	3.7
197.05963	16.0
197.09592	5.9
198.06665	5.7
199.03879	11.1
199.07500	2.8
199.10986	1.3
201.05472	2.3
201.09102	6.0
201.14778	1.7
202.09843	1.4
203.08568	3.1
203.11017	1.6
203.12784	9.3
205.06567	2.1
205.10081	2.4
206.07297	3.9
207.02803	1.7
207.04512	1.7
207.08041	9.4
208.08615	1.7
209.06042	1.3
209.09598	4.6
210.06770	4.8
210.10374	3.5
211.03925	2.8
211.07520	7.8
211.11150	1.5
212.04745	2.2
212.08220	2.4
213.05508	4.5
213.09076	7.9
214.06230	24.9
214.09496	1.3
215.06758	2.8
215.10724	3.7
217.08635	4.9
217.12276	1.8
219.08141	1.6
220.08821	3.9
221.06029	2.7
221.09583	14.8
222.06837	1.3
222.10399	2.9
223.07532	12.0
224.08316	6.2
225.05528	6.1
225.09079	14.9
226.06209	9.9
226.09845	3.3
227.03375	28.8
227.06998	4.6
227.10612	5.7
228.03844	2.4
228.11461	9.4
229.08583	13.9
231.08043	2.8
233.09616	3.6
234.06789	3.7
235.07492	7.1
235.11130	2.1
237.05298	1.8
237.09109	4.3
238.06268	1.6
238.09845	13.0
239.07027	4.9
239.10634	17.4
240.07890	2.7
241.04955	2.0
241.08586	24.2
242.05731	38.7
242.09152	3.6
243.06366	4.1
243.10078	2.3
248.08315	6.1
249.09123	12.6
250.06277	1.4
250.09779	4.2
251.06917	5.5
251.10715	1.6
252.07718	2.8
252.11443	1.6
253.04945	1.5
253.08569	7.5
253.12206	22.3
254.12714	3.2
255.06590	2.4
255.10158	13.1
256.07446	1.5
256.10812	2.6
257.08087	31.5
257.11670	4.0
258.08377	2.8
263.10681	9.0
264.11169	2.6
265.08643	5.0
265.12170	5.3
266.09363	6.4
267.10052	8.6
269.08069	10.5
270.05234	15.6
270.08499	2.9
270.12305	1.8
271.09720	2.3
271.13333	3.0
276.07858	1.5
277.08539	4.8
277.54425	1.3
279.06631	1.4
280.10812	3.6
281.11725	18.4
282.12497	15.0
283.09628	6.1
283.12549	1.4
284.10397	8.3
285.07593	71.4
285.11008	5.0
285.14496	9.8
286.08066	6.1
291.10098	10.2
293.08124	3.7
294.08826	3.3
295.09827	1.4
295.13284	4.5
297.07516	4.9
297.10953	1.7
297.14786	2.6
298.08307	9.1
298.11887	3.5
299.09509	2.1
299.12762	1.6
305.21140	2.0
308.10242	2.0
309.07736	2.0
309.11166	14.7
310.11786	1.7
311.05539	1.6
311.08969	1.7
312.09790	2.0
313.06982	4.0
313.10895	1.9
313.14291	47.0
314.14862	1.7
323.12732	6.0
326.11484	2.5
339.08713	2.4
341.10107	25.0
341.13834	100.0
341.16953	3.9
342.14191	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	341.1383
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
55.01861	1.4
65.03947	1.0
67.05496	1.3
69.03432	1.5
70.15544	2.9
71.04990	2.3
79.05491	3.4
81.07051	3.2
85.02899	1.4
90.66487	0.9
91.05437	4.8
94.04176	3.5
95.04963	2.1
97.02879	1.0
98.11691	0.9
103.05444	2.8
105.07032	3.2
107.04953	3.2
109.06516	3.7
111.04449	2.2
115.05454	2.6
117.07011	1.2
119.04964	1.9
119.08540	1.3
121.06488	1.1
122.03644	9.1
125.05956	1.6
127.99495	1.0
128.06194	4.6
128.38969	1.1
129.07002	10.6
131.04927	4.3
131.08530	1.5
133.02892	2.5
133.69104	1.0
135.04388	1.2
137.05972	100.0
138.06291	2.9
143.04956	1.6
143.08560	1.8
144.05708	6.6
145.06487	2.2
146.07314	1.4
147.04352	1.6
149.05992	2.6
151.03850	3.2
151.07544	4.7
153.05484	1.0
156.05725	2.0
157.06502	7.2
158.07294	2.4
159.04385	1.4
160.05150	4.8
161.05945	3.9
161.09550	1.6
163.07530	2.2
165.05469	3.5
165.06833	1.2
167.07059	2.2
171.07976	2.5
172.05194	7.8
173.06038	2.2
174.06752	18.3
175.07509	9.9
177.05444	3.9
177.09074	1.6
178.04976	1.8
178.07787	1.4
179.03400	2.7
179.05293	4.3
179.07005	3.8
179.08424	1.1
184.05220	1.4
185.05984	1.3
187.07538	51.2
188.08049	3.7
189.05464	0.9
189.09105	21.9
190.07896	1.9
190.09366	2.3
191.06944	1.6
191.08539	6.6
196.05202	2.6
199.07541	7.6
202.07799	3.4
203.06805	1.5
203.08533	10.6
205.06514	2.8
205.08611	0.8
207.08110	1.6
208.08780	2.8
211.07573	6.3
213.05434	2.3
217.08588	32.7
218.07251	2.8
218.09082	1.3
219.08028	12.4
220.08830	6.9
221.05858	1.2
221.09467	1.5
224.08386	1.4
225.09097	2.4
227.07019	3.4
231.08055	10.8
232.08792	3.5
233.05922	2.2
233.09651	2.7
234.06697	1.8
235.07539	3.8
236.08293	5.0
237.09088	3.7
239.07042	4.6
240.07716	5.0
245.09618	1.4
247.07588	10.3
248.08330	17.8
249.09029	3.4
250.06325	2.6
251.10672	8.1
253.08580	3.5
255.06631	2.3
256.07266	3.9
259.07544	4.9
260.08234	3.1
261.09012	4.5
262.09836	1.7
263.07150	2.8
263.10660	15.0
264.07782	4.8
264.10495	0.8
265.08627	6.8
266.09109	1.1
268.07297	2.6
270.08890	4.7
271.09628	18.1
272.10123	1.2
276.07849	6.6
277.08566	5.6
278.06036	1.1
279.10147	18.0
280.10770	3.3
281.08127	3.7
281.11517	1.5
282.08713	1.6
283.09454	4.5
291.10141	37.0
292.10770	5.2
293.08136	7.5
293.10977	1.4
294.08325	1.1
295.12885	1.4
296.10461	12.2
297.11002	1.6
307.09567	1.2
308.10437	5.2
309.11142	2.6
311.12720	18.3
312.13220	1.9
313.14307	1.9
323.12738	34.0
324.13013	2.5
341.13980	9.2
342.15283	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1383
Annotation	Xestosaprol A
Peak:m/z	Relative Intensity
53.03945	5.1
55.01873	15.8
55.05505	12.5
55.68777	3.7
57.07062	4.4
61.99605	3.0
65.03944	4.4
67.05503	17.5
69.03416	4.4
69.07062	9.2
69.22477	29.4
71.04993	5.2
73.27324	3.4
79.05494	15.6
81.07052	21.9
83.08629	7.6
85.06555	4.6
91.05470	27.3
93.03444	9.5
93.07052	15.1
95.04984	10.4
95.08615	16.7
97.06554	4.1
103.05479	14.8
105.07034	17.2
107.04958	30.9
107.08595	9.1
109.06547	6.9
109.10192	6.0
115.05486	9.2
117.07041	3.9
119.04906	8.3
119.08487	8.2
121.06512	16.6
121.10165	6.5
123.04427	5.6
123.08055	4.4
124.05175	6.8
125.09647	5.3
128.06200	26.4
129.06995	37.0
131.04930	12.4
133.06526	11.5
135.04430	14.3
135.08066	6.0
135.11729	5.5
136.05190	6.7
137.05991	18.3
139.07533	8.6
145.06485	8.6
146.07268	14.8
147.04388	7.2
147.08041	8.1
148.05206	5.2
149.05965	14.2
150.06783	5.0
151.03932	19.1
151.07513	62.0
153.09152	4.5
155.06029	4.2
157.06476	49.3
159.04372	5.8
161.05957	19.1
162.06749	5.2
163.03963	10.8
163.07555	33.1
164.08243	4.6
165.09134	16.5
167.04947	7.1
175.07581	29.5
177.05511	10.1
177.09146	8.9
178.09875	51.5
185.05997	45.7
188.08298	5.4
189.05521	4.8
189.09085	8.0
191.08592	5.2
203.07048	27.6
203.08498	5.7
203.10674	5.6
207.08115	4.4
209.09680	6.7
215.08542	6.4
217.08545	6.7
219.08159	15.3
220.08812	4.7
221.09410	5.2
230.07196	3.6
231.08032	9.1
233.05994	5.7
233.09599	10.0
234.06718	4.8
237.09143	7.4
238.09662	5.3
240.07896	3.6
241.08722	4.0
245.09627	5.3
246.10376	9.8
247.07524	15.7
247.11188	5.9
248.08322	14.4
249.09218	18.8
251.07014	10.9
252.11778	4.5
253.12317	5.0
259.07571	12.2
261.09085	13.4
262.09866	15.2
263.10727	9.8
264.11639	10.0
265.08649	12.3
266.09238	4.4
273.09070	7.0
274.09927	16.7
275.06955	6.0
276.07950	4.6
277.08630	38.9
277.12234	30.6
279.06824	7.5
279.10208	11.7
280.11066	10.4
281.11682	10.9
290.09500	8.4
291.10123	16.5
292.10901	35.2
293.08148	14.3
293.11548	9.4
294.08844	28.0
295.09821	9.0
295.13342	19.4
299.09067	5.8
305.11700	55.4
307.09824	5.3
308.10425	23.8
309.11145	6.2
313.10837	4.9
313.14328	14.3
323.09015	5.8
323.12799	100.0
324.13202	7.5
341.10104	15.2
341.13828	51.8
341.17520	5.9
341.24033	4.2
342.14011	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	341.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02743	0.6
63.75597	0.6
65.03916	1.1
67.05505	0.7
69.62340	2.5
69.62746	1.0
71.26472	0.7
77.11530	0.7
79.05507	1.7
81.07059	0.9
86.53429	0.6
91.05476	20.9
93.07032	0.8
93.45970	0.6
94.04176	2.0
95.04967	2.0
95.08574	1.0
98.23294	1.3
103.05459	0.9
105.07021	3.9
107.04955	1.9
108.05760	1.1
109.06490	1.1
112.47054	0.8
119.04933	19.6
122.03658	4.0
122.31651	0.7
123.08099	0.8
125.05955	0.9
128.06229	0.9
129.07022	0.7
133.06491	3.0
134.07228	1.3
135.04395	2.4
136.05191	7.8
137.05972	57.5
138.06308	1.6
143.08591	4.3
145.06424	1.1
149.05931	1.2
150.06752	8.3
151.07535	100.0
152.07848	3.3
153.05405	0.7
159.08031	2.8
161.05954	0.8
165.09111	33.8
171.08044	5.8
172.08859	1.5
173.06026	0.8
173.09628	1.1
179.10667	2.3
186.10408	5.1
187.07489	3.6
188.08344	4.7
189.09094	2.0
200.08543	0.7
202.09892	13.2
203.10666	14.0
204.11041	1.4
214.06180	1.4
217.12230	28.6
218.12524	1.7
223.07402	1.2
223.14668	0.7
227.03462	1.6
239.10634	1.2
241.08469	1.0
242.05719	1.9
253.12347	1.3
257.08160	1.8
268.10889	0.9
281.11697	1.4
283.09570	1.4
285.07611	3.8
285.10806	0.7
295.13077	0.7
298.12009	0.9
313.14362	2.5
341.10126	2.2
341.13760	4.0
341.17456	18.1
341.28461	1.1
342.18021	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.3
55.05499	6.4
57.03429	2.3
58.09788	2.0
65.03937	2.7
67.05494	8.9
69.07063	9.0
69.74339	9.7
71.08604	2.2
79.05488	15.7
81.07057	11.6
83.08665	2.5
84.25516	2.2
91.05460	16.8
93.07058	12.8
95.04960	5.3
95.08583	12.6
97.02902	3.2
97.10138	2.7
102.44370	2.0
103.05455	21.9
105.06997	11.8
107.04953	57.9
107.08587	6.0
109.06510	4.7
109.10143	5.3
115.05451	11.4
117.07005	9.5
119.04943	6.3
119.08561	6.4
121.06484	13.3
121.10131	6.5
123.08074	4.6
128.06184	5.1
131.04915	7.1
131.08566	5.8
133.06491	7.9
133.10121	4.7
135.08002	12.7
135.11691	4.1
136.05170	5.7
137.05968	17.5
137.09625	2.3
141.57317	2.2
143.08566	8.0
145.06470	8.7
145.07536	3.4
145.10115	4.7
146.03622	2.8
146.07301	13.7
147.04373	7.9
147.08040	11.2
149.02338	35.7
149.03450	1.9
149.06000	3.5
149.09651	5.4
150.06750	3.9
151.03967	3.1
151.07545	23.9
157.10184	4.6
159.11757	2.7
160.05339	2.6
161.05960	5.3
161.09613	5.7
162.06761	44.1
163.07535	69.2
165.05431	3.5
165.09114	15.3
169.06461	2.9
169.10121	2.8
171.08034	11.4
173.06035	4.5
173.13316	2.3
175.07535	10.4
175.11143	3.9
177.09099	19.3
178.09877	100.0
179.10278	5.1
181.12202	14.1
183.11658	3.1
187.07593	5.1
188.08308	20.0
193.04945	19.1
193.10188	2.3
195.08032	3.8
197.09625	4.3
203.10663	51.2
211.07607	3.0
213.09071	3.8
214.06297	3.1
225.09082	7.0
227.03349	3.7
235.07465	2.3
239.10757	4.9
242.05840	4.5
253.08688	5.2
253.12260	4.9
257.08017	3.1
257.11676	4.7
263.10638	2.4
267.10141	4.0
268.10873	3.0
271.09598	4.0
273.11646	2.8
273.18536	2.5
281.11917	4.0
285.07602	6.1
285.11237	4.4
295.24136	2.5
297.07486	3.6
298.08469	4.5
298.11807	2.2
300.13647	21.6
309.11099	3.9
313.07034	5.6
313.14294	11.8
341.06433	9.4
341.10165	19.0
341.13782	13.5
341.17429	6.3
341.20975	3.9
341.24622	3.9
341.28381	4.8
342.10281	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	341.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.7
55.01868	7.0
55.05507	16.4
56.38950	2.0
57.03443	10.1
57.07067	2.6
61.02940	11.0
65.03957	3.3
67.05514	14.6
69.03426	33.3
69.07068	11.5
71.04981	12.5
73.02914	3.9
73.06556	5.8
77.03938	2.4
79.05502	25.1
81.03418	19.1
81.07056	78.5
83.04977	7.7
83.08617	7.4
85.02904	67.5
85.06541	100.0
87.04459	8.2
89.03925	3.3
89.20040	1.9
91.03953	3.1
91.05464	31.0
93.07050	31.3
95.04937	10.1
95.08599	22.1
97.02894	22.5
97.06548	6.4
97.67980	2.1
99.04476	10.5
100.11260	8.2
100.15877	2.5
101.06028	3.5
103.05483	19.1
105.07021	53.6
106.04160	3.2
107.04942	9.8
107.08586	30.8
109.02869	7.8
109.06500	8.7
109.10147	14.1
111.04468	5.7
111.08089	5.1
113.06062	2.6
115.03931	2.4
115.05452	6.6
117.07027	6.3
118.04152	2.4
119.04958	9.1
119.08580	44.5
121.06517	8.0
121.10107	12.3
123.04455	3.1
123.08080	5.2
123.11706	4.4
125.06008	4.0
125.09596	2.2
127.03912	15.9
127.07565	3.6
128.06242	5.0
129.06998	7.0
130.04166	2.3
131.04929	15.2
131.08574	10.8
133.06500	16.6
133.10123	20.7
135.04474	3.1
135.08067	3.1
135.11691	14.9
137.05981	43.9
137.09583	3.0
137.13203	2.5
139.07602	2.6
142.07730	2.5
143.08556	9.0
145.04910	12.8
145.06526	5.2
145.10098	7.7
146.07237	2.7
147.04436	10.6
147.08090	3.0
147.11661	6.6
149.05969	14.4
149.13293	2.4
151.03934	18.6
151.05034	3.6
151.07526	25.3
153.05510	4.5
156.09427	3.3
157.06519	5.8
157.10159	3.0
158.56250	2.1
159.08090	3.6
159.11714	6.2
161.05991	24.1
161.09616	3.7
161.13251	29.2
162.06747	3.6
163.03938	3.8
163.07539	8.4
164.08336	3.7
165.05537	3.3
165.06866	2.5
165.09070	5.1
167.07101	2.7
167.08525	2.5
171.07945	2.9
173.06047	4.1
173.09702	2.3
173.13274	4.0
174.06812	3.5
175.07574	11.8
177.05492	19.0
177.09009	3.2
177.12830	3.2
177.46739	2.4
178.07733	2.5
178.10001	2.7
179.03435	3.0
179.07043	5.8
179.10706	3.4
179.14288	66.4
181.04964	2.6
181.06502	3.9
183.08124	2.9
183.11667	2.4
187.07539	9.9
189.05464	9.5
189.09131	7.0
191.07037	5.5
191.14333	5.3
195.08089	4.4
199.07468	2.3
203.06958	4.7
203.08597	6.6
203.10463	2.4
205.08624	2.4
206.07263	3.6
207.08089	3.0
210.06770	3.2
210.14911	2.3
211.07556	3.9
217.04944	4.3
217.08545	14.2
219.08069	4.4
220.08699	3.2
221.09607	4.6
223.07597	4.1
224.08392	2.4
227.07057	3.2
229.10637	2.7
231.07993	4.3
234.06787	3.5
235.07664	4.7
238.06180	3.6
239.07025	5.6
242.05621	2.2
247.07579	3.6
248.08327	8.4
249.09087	9.0
251.07002	3.4
253.08557	3.8
255.06784	2.4
256.07114	2.9
257.07910	4.2
259.07312	2.3
263.07114	2.9
263.10596	6.4
263.16455	3.7
264.07770	2.9
264.10849	3.1
265.08572	3.2
266.09332	5.8
267.06494	2.4
267.10056	2.7
269.08121	4.3
271.09647	4.3
277.08505	5.8
280.07236	2.6
281.08130	3.8
281.11676	9.0
283.09506	2.7
287.16568	5.2
291.10257	11.9
292.10641	3.3
293.07990	2.5
295.09674	5.5
295.13065	2.6
297.11133	4.0
299.12625	2.7
305.17392	5.1
309.11200	17.9
310.11890	3.6
311.09177	3.0
311.12735	3.6
313.10645	5.6
313.14099	3.3
323.09116	6.1
323.12793	9.0
326.11545	4.3
341.10135	33.1
341.13858	49.9
342.10428	4.5
342.14246	4.7
351.43121	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.1
55.01867	3.0
55.05511	27.7
57.07072	4.3
66.83544	1.7
67.05504	90.7
69.07068	35.2
69.44019	4.0
69.44418	11.4
71.05000	4.5
71.08631	2.2
79.05494	36.1
81.07053	100.0
82.07425	2.3
83.04987	4.2
83.08617	13.5
85.06526	4.1
91.05463	13.5
93.07043	34.4
95.03256	1.7
95.04996	1.8
95.08604	98.7
96.08917	4.5
97.06537	10.2
97.10167	8.6
99.08083	3.0
105.07024	14.8
107.08590	23.0
109.06534	3.3
109.10152	47.3
111.08055	3.8
111.11726	3.4
117.07008	3.9
119.08573	14.2
121.06480	2.2
121.10136	30.4
122.17260	1.7
123.08107	2.9
123.11697	21.0
131.08566	5.8
133.10123	12.3
135.11673	21.4
137.05994	3.3
137.13257	7.5
139.11195	3.7
145.10127	9.1
147.11655	18.6
149.09608	2.0
149.13289	8.7
151.11147	2.9
151.14841	2.5
153.12743	2.4
157.06523	2.0
159.11699	6.0
161.13191	12.5
162.67903	1.6
163.11200	2.5
163.14864	4.2
165.12744	2.8
173.13318	6.8
175.14786	4.5
177.16425	2.3
179.14328	2.1
187.14792	2.3
199.24994	1.6
201.16415	2.5
205.15797	1.7
243.21129	11.7
249.08690	1.8
261.22128	27.1
279.23184	24.8
303.89844	2.0
323.18530	3.3
323.22092	30.6
324.22430	3.5
341.10190	3.9
341.13953	3.7
341.23322	9.8
341.28549	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	341.2685
Annotation	7alpha,8-dihydroxy-5beta,8betaH,9betaH,10alpha-Labdan-15-oic acid
Peak:m/z	Relative Intensity
55.05509	18.9
57.07070	9.3
66.04419	3.9
67.05509	19.5
69.07067	20.2
69.20538	6.1
69.20947	27.5
71.08634	5.6
79.05507	21.4
81.07059	33.7
83.08615	10.7
85.02890	5.7
91.05469	16.2
93.07060	28.9
94.04224	4.7
95.08600	34.8
97.06466	4.7
97.10177	11.8
103.99686	3.5
105.07011	8.8
107.08600	16.4
109.06526	9.4
109.10164	9.4
111.08081	4.4
119.08571	13.5
121.10157	18.7
122.03646	11.3
123.04424	10.7
123.11693	11.8
133.10095	8.1
135.11693	11.3
137.05980	100.0
138.06297	7.5
145.10159	6.9
147.04436	6.7
147.11642	9.4
149.05943	5.8
157.10077	5.8
161.06000	8.3
161.13242	9.2
173.13284	6.6
173.67859	3.8
187.07469	6.8
187.14827	9.9
188.08215	6.9
199.14801	5.1
213.05196	3.9
216.03934	4.5
217.04861	10.9
219.08031	10.9
225.16466	4.3
231.06372	9.9
234.06693	10.3
235.07452	12.4
237.09087	4.7
239.06917	4.1
247.07445	7.0
252.07733	3.7
252.14148	4.5
256.07248	10.9
257.08041	8.6
263.07074	16.2
264.07755	7.8
265.08563	5.9
269.08063	6.8
277.08749	9.0
280.07162	4.7
281.07974	4.8
282.09000	5.1
287.23679	4.7
290.91617	4.0
295.09668	11.2
295.24185	10.1
297.11246	8.1
302.47556	4.2
305.24808	15.7
309.07535	8.0
322.74033	4.2
323.09061	14.8
341.10086	27.4
341.20734	18.7
341.24731	14.7
341.27588	4.8
342.37335	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	341.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	4.1
53.38395	2.8
55.05519	14.3
57.03452	4.3
57.07064	22.3
62.17127	3.1
64.81689	2.6
67.05500	26.2
69.07077	21.8
70.54053	9.3
71.08626	14.6
77.03932	3.4
79.05479	18.2
81.06603	6.1
81.07050	62.9
83.08618	9.7
85.10164	4.9
91.05457	17.3
93.07043	41.4
94.04165	5.6
94.84299	3.2
95.04960	4.4
95.08598	45.8
97.06590	3.3
97.10184	7.0
100.59559	3.4
105.07010	23.1
107.08583	51.7
109.06512	7.8
109.10143	35.8
119.08571	28.9
121.10141	42.8
122.03641	11.9
123.04484	7.4
123.08063	3.6
123.11705	37.3
125.09584	4.8
131.08586	9.7
133.10127	24.2
135.08054	28.7
135.11685	65.8
137.05969	100.0
137.13225	7.6
138.06314	3.0
138.64156	3.1
139.11049	2.9
143.08588	5.0
145.10138	11.7
147.04402	4.1
147.11671	16.1
149.09628	6.8
149.13275	8.2
151.11179	4.9
157.10152	9.0
159.11696	17.4
161.09627	6.4
161.13242	11.5
163.11186	14.7
163.14832	13.5
171.11667	4.9
173.13263	12.1
174.18472	4.5
175.11201	16.5
175.14810	6.2
177.12759	5.7
177.16449	4.9
179.54434	2.8
183.11801	3.9
185.13330	3.5
187.07582	6.9
187.14850	15.5
188.08307	4.6
189.12773	6.9
189.16451	13.1
199.14786	4.9
201.16408	9.7
203.14355	15.3
203.17992	8.8
205.15834	27.5
213.16386	9.4
215.18027	4.0
217.04831	14.9
217.15921	4.3
219.17445	4.0
230.24644	3.2
231.06512	5.2
231.17526	14.6
235.07538	7.8
238.06229	4.2
245.18748	4.0
247.07413	4.3
255.20921	3.5
256.07404	4.4
257.08191	5.2
263.07034	8.3
271.20685	6.3
277.08582	4.0
280.07257	3.6
281.08124	5.7
295.09695	8.5
295.24103	5.6
297.11069	6.1
323.09012	11.0
323.27362	13.4
341.10104	23.8
341.24283	6.3
341.28400	44.9
342.28452	4.1
342.37280	75.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94283	1.2
53.03953	3.1
55.01865	1.6
55.05511	12.6
57.07063	4.8
65.03915	1.7
67.05505	22.7
69.07066	22.2
69.72178	7.0
71.04996	10.5
71.08611	2.6
79.05495	15.8
80.05844	1.6
81.07054	49.3
83.04984	2.1
83.08611	8.7
85.06521	2.1
85.92815	1.5
90.48227	1.6
91.05448	22.4
93.07038	42.5
95.04962	3.7
95.08601	75.0
96.08939	2.4
97.06526	6.9
97.10171	4.7
99.08083	23.3
103.05470	2.9
105.07024	31.8
107.04974	5.3
107.08590	57.1
108.08923	2.0
109.06523	2.9
109.09406	3.2
109.10152	56.2
110.10453	2.1
111.11720	2.2
117.07023	5.0
119.04932	3.5
119.08573	45.2
120.08945	1.9
121.10133	50.7
121.10978	3.1
122.10462	1.8
123.08079	5.2
123.11704	22.8
124.72128	1.4
125.09628	3.5
125.43380	1.4
127.11180	4.2
128.06277	1.6
129.06973	3.0
131.08568	11.6
133.09175	2.4
133.10127	31.4
135.08049	3.1
135.11690	27.9
135.28760	1.4
137.05991	5.9
137.09602	10.0
137.13226	15.9
138.06360	1.7
139.11130	1.7
142.07753	2.0
143.08575	5.9
145.10121	21.1
147.08017	2.0
147.11659	22.3
148.12018	1.6
149.02356	2.2
149.06012	2.9
149.09641	8.3
149.13239	18.7
151.03879	5.3
151.07538	11.2
151.11171	6.3
151.14784	4.2
153.12752	1.6
155.08466	1.9
156.09312	2.5
157.10144	10.9
158.10867	2.0
159.11688	14.6
161.13252	25.2
162.13596	1.7
163.11209	10.9
163.14799	22.2
165.12726	5.3
169.10016	1.8
171.11679	7.6
173.13255	16.2
175.14821	29.6
177.12753	2.8
177.16393	14.6
179.14278	3.5
183.11728	4.4
185.13272	9.6
187.13367	2.7
187.14821	14.0
189.12843	1.8
189.16382	18.5
191.14258	5.1
191.17993	13.2
197.13255	3.7
199.14859	5.1
201.16435	7.1
203.14343	4.3
203.17941	12.0
205.15883	2.4
205.19426	1.6
211.14774	3.4
213.16272	8.5
215.17909	9.5
217.15869	3.8
217.19557	3.2
225.16472	3.0
227.18018	5.0
229.19521	2.2
231.17410	4.6
239.17914	2.7
241.19502	3.8
243.21107	4.8
245.19017	5.8
253.19487	6.6
257.19083	3.4
259.20438	1.7
263.10962	1.8
265.08691	1.8
267.12082	2.2
267.21091	3.1
267.96091	1.6
271.20587	4.6
281.22693	3.9
283.24301	1.9
285.22150	2.2
295.24194	1.8
297.25824	4.1
299.12900	2.4
299.23672	3.5
300.50061	1.6
323.27341	31.1
324.27710	1.8
341.10208	2.4
341.13858	8.4
341.25107	4.3
341.28375	100.0
342.28732	13.7
361.79086	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
55.05507	1.4
61.95703	0.7
67.05493	2.2
68.99805	1.0
69.07053	1.4
79.05491	5.1
79.60329	0.7
80.17163	0.6
81.07054	14.3
85.06525	1.2
91.05476	2.8
93.07038	1.7
95.08583	2.0
96.37682	0.7
103.05462	2.2
104.72030	0.7
105.07017	0.7
107.08570	1.1
109.06512	8.6
109.10147	2.2
115.05437	1.7
118.06539	6.8
119.08603	1.3
120.08099	1.1
127.07539	6.1
133.10091	1.1
137.05978	1.6
138.06305	0.7
140.51086	0.6
146.06000	6.7
147.11671	0.8
180.79456	0.7
214.05008	4.0
216.06554	100.0
217.06905	5.1
232.06032	18.7
232.08253	1.2
233.06299	1.0
283.29108	0.7
303.92889	0.6
304.09552	0.8
324.09464	0.7
342.13751	1.1
342.24643	0.9
342.33578	1.1
343.11658	1.0
343.22452	0.7
352.21298	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86502	3.2
53.03952	3.1
55.01859	2.8
56.08283	3.1
56.69182	2.8
57.03424	7.9
60.32499	2.6
60.32912	2.4
65.03928	6.1
67.05482	4.2
69.03413	13.4
69.07019	2.7
70.06606	5.2
71.04984	4.9
71.08625	5.6
71.33524	4.3
79.05500	4.8
81.03404	16.1
81.07059	19.3
82.78418	3.2
83.04986	3.8
85.02904	25.1
85.06540	3.8
91.05515	5.1
92.29491	2.8
97.02888	10.9
99.04481	3.8
99.08091	22.6
105.07029	3.3
107.04948	5.3
109.02869	7.0
109.06519	18.9
110.03637	3.0
111.05563	7.3
117.09117	100.0
118.09499	3.9
120.39842	3.6
123.04483	3.2
127.03894	7.7
127.07546	39.8
137.05925	5.3
140.04672	7.8
145.04961	4.9
163.09662	18.1
167.07040	16.0
179.03360	8.5
180.03726	11.6
181.04921	68.5
189.76439	3.3
207.07617	4.2
208.07901	11.4
228.33626	3.0
279.61157	2.9
325.09128	5.2
360.03229	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	342.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00512	2.5
57.03429	9.3
61.02929	3.0
69.03435	9.8
69.74969	11.3
71.05006	3.2
71.08628	6.8
74.95272	2.5
74.98899	2.4
79.05475	3.4
81.03409	3.7
81.07052	13.7
85.02907	11.5
85.06538	3.6
97.02913	4.1
98.22697	3.0
99.08105	19.8
109.06496	16.9
109.72851	2.5
109.83558	2.3
117.09125	100.0
127.07545	41.1
134.64737	2.7
135.24712	2.6
145.04933	5.1
151.81398	2.4
157.90500	2.7
162.07474	4.3
163.09642	21.0
179.03474	2.3
180.12164	2.5
190.06897	2.3
207.07626	3.3
208.07982	12.4
254.89850	2.6
278.69681	2.5
281.72992	2.4
324.12674	19.7
342.12540	8.7
343.10114	4.2
343.13708	21.8
348.48743	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09926	0.3
55.05512	0.6
57.07073	9.3
58.06589	1.1
62.06081	3.1
65.13931	0.2
67.05484	0.5
69.07047	0.7
69.26488	2.3
71.08623	4.6
72.08148	2.1
75.83913	0.2
79.05502	0.3
81.07044	1.0
83.08621	0.5
85.10195	0.6
91.05488	0.3
93.07018	0.8
95.08601	1.0
103.05447	0.4
105.07035	0.4
107.08553	0.4
109.10165	0.4
119.08540	0.3
121.10126	0.6
131.04921	0.4
133.10121	0.4
135.04431	1.1
135.11766	0.4
137.02306	0.3
137.06010	0.3
138.06387	0.3
145.10054	0.3
149.70572	0.3
156.17471	1.6
161.06049	0.3
165.05331	0.4
172.16933	0.3
174.18518	5.5
202.21690	0.5
212.23694	1.4
230.24776	4.8
240.23213	0.6
257.08115	0.8
273.44974	0.3
285.07599	1.1
297.07663	0.7
298.34711	0.5
299.09134	2.3
302.14288	0.3
310.08240	1.3
313.07111	1.3
324.29205	0.3
324.36157	1.3
327.08588	3.5
328.09409	7.3
342.37271	100.0
343.11728	13.2
343.30386	0.5
343.37625	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	343.0813
Annotation	bikisocoumarin
Peak:m/z	Relative Intensity
52.93552	0.4
53.03937	0.6
53.40947	0.6
54.29353	0.3
55.01865	0.8
57.03433	1.0
60.30890	0.3
62.80617	0.3
65.03944	1.5
67.05500	2.4
69.07092	0.5
69.07779	3.3
69.84444	0.3
77.03945	0.4
79.05487	0.7
81.07049	0.5
91.05474	0.9
95.04955	1.0
98.23375	0.5
103.05460	0.8
105.07018	0.4
107.04986	0.8
107.88727	0.4
108.02079	2.3
111.04443	0.4
119.04944	0.7
121.03980	0.4
121.06480	0.3
123.04467	0.4
125.02316	1.9
131.04965	0.6
131.08618	0.7
133.06468	1.1
135.04414	4.5
136.01572	0.6
137.05943	2.4
141.05472	2.4
145.06476	0.7
147.04405	0.5
149.05917	0.6
151.03903	100.0
151.04988	8.2
152.04222	2.7
153.05408	0.5
159.04317	0.4
159.08009	0.9
161.05937	0.4
163.00323	0.4
163.07536	0.8
164.08311	0.5
165.05502	1.0
165.06911	0.3
167.07083	1.0
173.05989	0.4
174.06758	0.6
177.05298	0.7
183.04379	0.6
183.08195	0.3
187.07431	0.5
189.09053	0.6
191.07303	0.5
191.10640	1.0
193.01320	21.9
194.01718	0.8
198.06729	2.7
201.05464	0.5
202.06198	0.3
211.02368	9.9
211.07674	0.4
212.02704	0.4
219.10196	1.4
226.06207	0.7
227.10637	0.4
233.09586	0.7
239.07133	0.4
241.08505	0.3
241.12225	0.5
251.10643	0.7
254.05771	0.9
265.12222	0.7
267.06409	0.4
279.10297	0.5
282.05179	5.4
283.05579	0.5
283.13330	1.9
293.11655	0.6
300.06250	0.3
310.04694	8.5
311.04901	0.4
311.12619	0.7
325.07050	84.0
326.03891	0.6
326.07385	7.1
343.08319	2.0
343.11673	1.2
343.15030	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.0
55.01861	1.3
56.15119	0.3
57.03424	1.1
61.02917	0.5
65.03937	5.2
67.05502	2.6
69.03424	7.9
69.07056	0.4
71.04965	0.9
71.34028	0.4
73.02904	0.7
81.03410	21.5
82.03742	0.6
82.04186	2.8
85.02901	8.9
91.05473	0.7
93.03376	1.4
95.04965	3.2
97.02889	2.8
97.06531	1.7
99.04460	2.2
101.02328	0.3
103.05419	0.4
105.07014	0.5
107.04971	0.4
108.02067	0.5
109.02866	8.5
110.03650	3.1
111.04449	1.2
111.18702	0.3
115.05450	0.4
123.04411	2.6
125.02337	1.1
125.06002	2.0
127.03899	2.0
131.04921	0.6
135.08032	1.3
137.05962	1.9
138.03122	1.8
140.04669	15.0
141.05089	0.5
142.02614	2.5
149.06029	0.5
151.07460	0.4
153.05463	3.3
155.07022	4.7
161.05963	0.8
162.06764	0.5
163.07520	1.3
171.06522	3.0
173.08115	0.5
175.07477	0.6
181.04939	100.0
182.05286	3.7
184.03664	0.8
185.04295	0.4
199.05991	4.8
200.06337	0.3
203.05234	0.7
227.85443	0.3
265.08618	0.4
280.06638	0.3
297.11285	0.5
311.12680	0.8
325.09161	17.5
326.09549	1.4
343.13626	5.4
344.13852	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1019
Annotation	Chaenorrhinoside
Peak:m/z	Relative Intensity
51.02358	0.4
53.03943	3.3
55.01862	1.2
55.05502	0.7
57.03415	1.2
61.02914	0.5
65.03935	5.5
67.05499	3.5
68.99787	0.6
69.03425	8.3
69.07065	0.3
71.01344	0.4
71.04975	0.8
71.15421	0.6
73.02913	0.8
77.03935	0.5
79.05485	1.3
81.03411	22.1
81.07040	0.5
82.00548	0.4
82.03758	0.4
82.04182	2.1
83.01334	0.4
83.04980	0.5
85.02901	9.9
91.05464	1.2
93.03401	1.6
93.07053	1.4
95.04956	3.8
97.02884	3.4
97.06514	1.9
97.91378	0.2
98.22635	0.3
99.04443	2.6
100.11246	4.2
101.02405	0.3
103.05441	0.5
105.07032	0.9
107.04945	0.4
107.08593	2.4
108.02058	1.3
109.02870	7.0
110.03667	3.1
111.04465	1.5
111.08112	0.4
115.05427	0.6
117.07007	0.5
117.60591	0.2
119.81070	0.3
120.57197	0.2
121.02847	0.4
121.04016	0.3
121.06472	1.2
123.00784	0.7
123.04440	1.9
124.51923	0.3
125.02318	1.2
125.03173	0.3
125.05968	2.7
127.03918	2.3
133.06403	0.3
135.08043	3.4
137.05923	2.1
138.03123	1.7
139.03851	0.3
140.04669	14.6
141.04878	0.3
142.02608	2.3
147.04433	0.5
149.05998	0.5
151.03899	0.5
151.07509	0.3
153.01768	0.4
153.05463	1.9
153.09023	0.3
154.82428	0.3
155.07019	5.2
161.05952	0.9
163.03755	0.4
163.07518	2.6
164.08130	0.3
166.02655	0.3
171.06516	3.9
175.07550	0.5
177.05322	0.4
181.04936	100.0
182.05299	3.7
184.03578	0.5
189.05453	0.5
193.08563	0.4
194.95216	0.3
198.05185	0.3
199.06001	3.9
271.05240	0.3
283.08060	0.3
283.09726	0.2
325.09158	13.4
326.09381	1.0
343.10834	0.9
343.15302	0.4
343.30673	3.2
369.73849	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.0
55.01857	1.4
57.03423	2.0
61.02906	0.7
65.03931	7.1
67.05501	3.4
69.03419	8.3
69.07077	0.4
70.47376	0.9
71.04977	1.3
73.02886	1.1
76.48771	0.4
79.05476	1.5
81.03410	24.2
82.03741	0.7
82.04182	3.3
83.04934	0.6
85.02898	11.0
91.05453	1.3
93.03392	1.8
93.07034	0.5
95.04958	3.2
97.02878	3.4
97.06516	1.7
99.04455	2.5
101.02349	0.7
103.05447	0.5
105.04485	0.4
105.07037	0.4
107.04910	0.8
107.08575	2.5
108.02096	1.2
109.02876	8.1
110.03660	2.5
111.04411	1.4
115.05426	1.0
117.07037	0.5
123.00750	0.6
123.04408	2.5
125.02310	1.5
125.05959	2.1
127.03911	3.1
135.08052	5.3
137.02321	0.5
137.05983	1.3
138.03090	1.9
140.04666	15.8
142.02609	1.7
153.05463	3.6
155.07010	6.2
163.07541	2.8
171.06471	2.8
181.04936	100.0
182.05284	4.3
199.05997	5.8
207.45700	0.5
221.05930	0.9
231.57800	0.4
248.65091	0.4
267.06451	0.5
277.49121	0.4
278.17923	0.5
279.45615	0.4
282.08868	1.2
293.55334	0.5
325.09131	19.3
326.09479	1.0
329.40875	0.5
343.11667	2.5
343.16919	0.7
344.12155	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1023
Annotation	Chaenorrhinoside
Peak:m/z	Relative Intensity
53.03946	3.3
55.01868	1.2
57.03424	1.3
61.02916	0.3
61.51127	0.3
65.03624	0.4
65.03940	5.7
67.05502	2.5
67.44347	0.3
68.99768	0.5
69.03430	8.0
69.07076	0.3
70.51062	0.3
70.51526	0.3
70.86620	0.5
70.86953	0.4
71.01353	0.5
71.04968	1.0
73.02903	0.9
74.18636	0.3
79.05489	1.2
81.03416	19.3
81.07052	0.5
81.70224	0.3
82.00573	0.4
82.03770	0.5
82.04177	1.8
85.02906	10.0
91.05445	1.8
93.03399	1.6
93.07046	0.7
95.04963	3.8
97.02874	2.3
97.06530	1.7
99.04459	1.9
103.05456	1.2
105.07028	0.8
107.04965	0.8
107.08592	1.4
108.02091	1.4
109.02882	7.4
109.06591	0.3
110.03680	3.0
111.04416	1.5
115.05421	0.7
117.07029	0.5
119.04968	0.7
121.06472	0.7
122.03684	0.6
123.00804	0.4
123.04409	2.4
125.02370	1.4
125.05971	2.5
127.03905	2.3
129.05447	0.3
129.07025	0.5
131.04927	1.8
133.06461	0.5
135.08046	2.5
137.04939	0.4
137.05988	5.5
138.03084	1.5
140.04680	13.0
142.02625	2.3
145.06496	0.5
146.03622	0.5
147.04352	0.8
149.06004	1.8
151.03926	1.6
151.04974	0.4
151.07561	1.8
153.05466	6.3
155.07007	4.8
157.06465	0.5
161.05969	3.8
162.06732	0.4
163.07524	3.6
167.03325	0.4
167.07019	0.9
169.06485	0.3
171.06534	3.0
175.07542	2.4
177.05490	0.6
177.06914	0.3
179.08476	0.4
181.04948	100.0
182.05293	3.7
183.08141	0.3
184.03638	0.6
189.09065	1.2
193.08578	1.0
195.08026	0.4
199.06006	4.4
207.08105	0.6
211.07631	0.4
219.08136	0.5
219.10103	0.6
221.06090	0.4
223.07594	0.3
230.76422	0.3
233.09592	0.6
235.07552	0.6
237.09122	0.7
247.07584	0.6
250.06136	0.4
251.07013	0.4
252.07808	0.4
261.09067	0.6
265.08722	1.5
265.12048	0.3
267.10187	0.8
269.08017	0.7
278.09412	0.7
279.10217	0.4
282.08859	0.8
284.10391	0.6
293.11603	1.1
297.11386	1.5
297.14429	0.5
299.12756	1.2
300.09708	0.4
311.09171	0.8
311.12720	2.9
325.09180	13.2
325.13391	0.8
326.09421	0.7
343.11481	2.7
343.15384	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	343.1022
Annotation	Chaenorrhinoside
Peak:m/z	Relative Intensity
51.02393	0.6
53.03944	2.6
55.01852	1.5
55.05503	1.1
57.03432	1.6
65.03934	3.8
67.05498	3.8
69.03057	0.6
69.03429	9.5
69.04083	5.2
69.07072	0.8
71.04977	1.3
73.02905	0.8
79.05490	4.0
81.03413	21.3
81.07045	1.5
82.04205	2.5
83.08603	0.9
85.02905	7.3
85.06544	0.5
91.05465	6.8
93.03388	3.1
93.07034	1.8
95.04967	4.2
95.08588	0.8
97.02894	3.3
97.06516	1.4
99.04424	1.9
103.05470	2.2
105.04504	0.5
105.07023	2.9
107.04953	3.9
107.08580	7.1
107.19286	0.5
108.02083	0.7
109.02876	8.5
109.06525	1.3
110.03699	2.4
111.04433	1.4
112.28027	0.5
115.05434	3.0
117.06990	3.2
119.04940	0.6
119.08618	0.7
121.06512	2.4
122.03627	0.5
123.04417	2.7
123.08056	0.6
125.02306	0.7
125.05981	5.2
127.03899	2.0
128.06206	1.2
128.10744	0.5
129.06993	3.5
131.04910	1.5
131.08571	1.1
133.02827	1.0
133.06459	1.2
135.04408	0.8
135.08049	25.0
136.08366	0.8
137.02356	0.8
137.05969	7.6
138.03136	4.4
139.03862	0.8
140.04677	10.5
141.05428	0.8
141.07036	0.7
145.06459	1.2
146.07190	0.6
147.04376	1.3
148.23657	0.6
149.05974	1.6
150.33151	0.5
151.03905	3.6
151.07506	1.5
153.05492	2.3
155.07051	2.3
157.06522	1.8
159.07976	0.8
161.05971	3.2
163.06186	0.8
163.07544	12.1
164.08127	0.5
165.05453	2.0
165.06845	0.8
166.02541	0.5
166.06233	1.4
166.07693	0.6
167.07048	4.4
170.02144	1.2
170.15512	0.6
171.06516	9.5
174.06746	1.7
175.07518	1.6
177.05389	1.0
181.04944	100.0
182.05327	3.9
182.85677	0.5
187.07500	0.8
189.05473	0.6
189.09084	7.7
191.08559	0.6
193.06393	0.5
194.07417	0.7
195.08061	0.8
198.14880	0.7
199.06020	4.1
201.05365	0.6
205.08501	3.1
205.10182	0.5
206.78445	0.5
210.06709	0.6
211.07510	0.7
219.08235	0.7
219.10226	0.6
221.05974	1.0
222.06754	0.5
223.07460	0.8
233.09592	0.9
233.26357	0.5
235.07529	0.9
237.03824	0.9
237.09091	0.6
250.06201	0.9
251.07010	0.7
253.08545	0.6
257.08307	0.6
263.07047	0.5
265.08542	0.7
267.09930	0.7
269.08112	0.6
282.08878	1.3
283.09348	0.6
293.11722	0.7
297.11130	1.2
300.09708	0.5
310.08386	0.5
311.09122	1.1
311.12778	1.5
325.09152	8.8
325.12851	3.9
343.08118	0.6
343.11658	5.6
343.15411	3.2
344.15689	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1173
Annotation	Vitexdoin A
Peak:m/z	Relative Intensity
50.44038	0.6
53.03951	0.8
55.01868	1.1
55.05517	0.8
57.03438	0.4
60.54352	0.3
62.04219	0.3
63.46586	0.3
65.03941	1.8
67.05495	2.7
69.02780	3.4
69.03421	0.4
69.07067	0.6
71.01331	0.4
71.04987	0.4
79.05482	1.7
81.03419	0.8
81.07053	2.7
83.08579	0.4
85.02901	0.6
91.05477	2.2
93.03403	0.4
93.07042	1.3
95.04962	1.3
95.08600	2.0
97.06531	0.5
98.23347	0.7
103.05463	2.9
105.04562	0.4
105.07019	1.1
107.04945	1.3
107.08594	1.1
108.02088	1.6
109.02866	0.9
109.06509	0.6
109.10156	1.5
111.04448	0.7
111.08073	0.4
115.05443	1.2
117.07002	0.9
119.04956	0.8
119.08585	0.6
121.06528	0.8
121.10149	0.6
123.04431	0.7
123.11699	0.6
125.09550	0.5
129.06984	0.5
131.04916	3.5
131.08514	0.6
133.02998	0.4
133.06517	0.5
135.04382	0.9
135.08058	0.6
135.11642	0.4
136.01595	0.4
137.05960	7.4
140.04669	0.5
141.05449	2.4
144.35437	0.3
145.06454	2.5
145.10159	0.5
147.04410	0.9
148.05260	0.4
149.06006	2.2
151.03902	90.6
151.04980	6.6
151.07521	1.5
152.04250	2.2
152.06183	0.5
153.05511	0.5
153.06943	0.4
155.04906	0.4
157.06450	0.5
159.08023	0.9
161.05972	1.6
163.03917	0.7
163.07556	2.4
163.11179	0.4
164.08336	2.6
165.05695	0.4
165.07045	1.3
166.07797	0.7
167.07022	0.9
167.08566	2.9
168.05713	0.4
169.06522	0.8
171.07933	0.3
173.05991	2.8
174.06699	0.5
175.07553	0.8
176.06215	0.4
177.05505	0.8
177.07033	1.8
181.04947	1.5
181.06532	0.9
181.08641	0.4
183.08014	0.5
187.07535	0.8
189.09082	1.3
191.03415	0.8
191.08592	0.8
191.10677	1.3
194.07304	1.4
195.08040	6.0
196.08583	0.6
197.05966	0.6
201.05489	2.1
201.66978	0.3
203.10696	0.5
205.06502	1.8
205.08391	0.7
207.08075	0.5
208.05150	0.7
209.09650	0.9
210.06764	0.3
211.07509	1.0
212.08224	0.9
213.43321	0.4
219.06435	0.7
219.08273	0.6
219.10191	1.2
221.05920	0.6
222.06688	1.7
223.07523	9.2
224.08125	0.9
227.07024	0.4
233.05997	0.6
236.08226	0.5
237.09116	2.6
239.07063	1.1
240.07759	4.9
241.08345	0.5
247.07549	0.9
249.05309	0.5
250.06273	1.3
251.07019	9.7
252.07484	0.6
254.09322	0.8
255.10165	3.3
255.56184	0.4
264.07822	0.8
265.08563	6.1
266.09140	0.5
267.06555	1.0
268.07291	19.2
269.07727	1.7
279.10165	1.4
282.08887	1.6
283.09625	100.0
284.09976	6.7
293.08081	3.6
293.11227	0.5
297.11203	10.3
298.11636	0.5
303.47107	0.4
307.09528	1.3
310.08459	0.8
310.11893	0.5
311.09064	0.7
311.12662	0.4
315.12152	2.5
325.10687	42.8
326.10944	3.4
343.07858	0.7
343.11697	8.8
343.15405	2.6
344.12054	0.9
344.15872	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1175
Annotation	Vitexdoin A
Peak:m/z	Relative Intensity
50.31536	0.3
51.10025	0.3
52.06414	0.3
53.11503	0.2
54.00895	0.3
54.31844	0.3
65.03933	1.0
67.05502	9.6
68.67744	0.3
69.03422	0.3
69.64325	1.8
73.62936	0.3
79.05493	1.6
91.05474	0.8
95.04966	5.2
98.23331	0.3
103.05444	0.7
105.07008	0.6
107.04962	1.5
108.02104	0.3
108.05721	0.4
115.30141	0.3
119.04972	0.5
121.06468	0.3
132.05788	0.4
133.05539	0.5
133.06488	6.7
135.04411	15.9
137.05963	1.3
145.06491	0.4
150.03116	1.2
151.03905	11.4
151.04999	0.9
151.07509	0.6
152.04283	0.3
153.05463	1.0
159.07956	0.4
161.05969	0.4
163.03888	7.4
163.07523	1.0
164.04393	0.4
165.05460	0.6
168.04135	1.4
179.07045	0.5
179.08440	0.3
181.04950	7.7
183.06528	0.4
186.32294	0.4
193.04922	2.0
195.08179	0.4
205.08575	0.8
205.10542	0.3
211.05858	0.4
211.07648	0.4
219.10095	0.5
221.09593	0.8
239.07072	0.5
239.10686	0.5
241.08389	0.4
252.07851	2.8
253.08528	2.1
254.09294	1.0
267.06763	0.3
267.10205	0.8
280.07324	3.0
281.08057	8.8
282.08810	10.8
283.09421	1.5
295.09628	35.4
296.09988	2.7
297.11301	0.9
309.07574	2.7
310.08325	12.3
311.08691	0.9
325.10672	100.0
326.10999	7.9
327.08578	0.6
343.11722	1.1
343.15369	0.5
343.18997	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1173
Annotation	Cerrosillin
Peak:m/z	Relative Intensity
53.03933	0.3
55.01862	0.4
55.05496	0.4
59.58002	0.3
65.03936	0.4
66.92382	0.4
67.05492	0.6
69.01189	0.3
69.03416	0.3
71.58126	0.3
79.05493	1.6
81.07043	0.9
83.08619	0.6
91.05479	4.3
93.07023	0.5
95.04950	0.6
95.08598	0.9
98.22506	0.7
103.05470	5.9
104.06290	0.5
105.03357	0.3
105.07032	2.9
107.04952	2.9
107.08553	0.5
108.05732	0.7
109.06541	0.7
109.10160	0.4
110.03638	0.6
115.05460	0.4
117.06979	0.4
119.04939	6.6
119.08546	0.5
119.77245	0.4
121.06500	5.7
121.10172	0.6
123.08033	0.8
123.11732	0.3
125.02253	0.3
131.04919	1.1
133.06491	1.4
134.07268	14.0
135.04411	2.0
135.08064	3.0
137.05986	4.4
138.03101	1.1
145.10127	0.4
147.04425	2.5
147.08067	0.3
149.05991	1.6
150.03070	0.5
151.03864	0.8
151.07559	2.1
153.01845	1.5
153.05449	0.7
153.31300	0.3
161.05991	0.4
163.07552	3.8
164.08348	2.7
165.05499	1.8
165.09106	0.4
166.02599	1.0
168.04109	0.7
177.05626	0.3
179.07024	7.4
180.07608	0.4
181.01303	1.1
184.03606	0.7
193.04958	0.7
193.91425	0.3
195.02896	0.7
195.08054	0.3
199.02383	0.6
205.08508	2.3
213.51875	0.3
219.10165	0.6
223.07526	0.3
239.07051	0.6
240.23175	1.2
253.08542	0.7
257.08084	0.4
281.08075	2.7
282.08820	4.0
283.06052	0.3
283.09518	0.7
284.06787	0.8
285.07513	2.4
295.09448	0.4
297.07526	0.6
298.08340	0.7
299.09076	3.6
300.09879	5.5
301.10388	0.4
309.07571	1.1
310.08353	2.6
311.09128	1.8
312.06403	0.7
314.07791	4.1
315.08414	0.7
325.07074	2.0
325.10764	0.8
327.08600	23.2
328.09247	5.5
343.11737	100.0
344.12057	6.7
344.15921	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1175
Annotation	porphyrin-5,15-diol
Peak:m/z	Relative Intensity
66.68026	0.3
69.55363	1.3
69.55767	0.8
77.28045	0.3
82.52260	0.3
83.01328	0.9
85.32420	0.3
94.58455	0.3
124.05177	0.4
137.02242	0.5
151.03922	2.0
152.04579	0.5
167.03384	0.9
172.58995	0.4
179.03389	1.3
195.06519	0.4
203.03366	0.4
229.08672	0.6
239.07121	0.4
257.08063	8.9
258.08447	0.6
267.06549	0.7
281.07877	0.7
285.07593	11.0
286.07849	0.5
299.09213	1.2
300.09915	12.5
301.10291	0.8
312.06268	1.2
313.07007	3.3
327.08679	6.4
328.09402	51.2
329.09857	3.9
343.11758	100.0
344.12122	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	343.1176
Annotation	Cerrosillin
Peak:m/z	Relative Intensity
55.05476	0.4
67.05455	0.9
69.07066	0.4
79.05451	0.6
81.03381	0.3
81.07008	1.0
83.73699	0.3
85.06535	0.2
91.05437	0.7
93.06991	0.4
95.04932	0.4
95.08588	0.5
103.05449	0.5
105.07046	1.2
107.04932	0.4
107.08533	0.9
109.10093	1.0
115.05430	0.3
117.06966	0.3
119.04933	0.3
119.08510	0.5
121.06448	0.8
121.10139	0.6
123.04359	0.3
123.11721	0.2
124.05173	0.4
131.04854	0.3
133.10094	0.7
135.04364	0.6
137.05969	1.3
137.06833	0.3
145.06485	0.4
145.10086	0.3
147.04381	0.4
148.05176	1.1
149.05991	1.1
151.03912	12.0
151.04996	0.8
151.07497	1.1
152.04474	0.4
153.05414	0.4
159.08002	0.4
161.05893	0.7
162.06731	0.4
163.03827	0.2
163.07480	0.7
165.05399	0.2
165.09096	0.3
167.03387	3.3
171.11691	0.3
177.09004	0.5
179.03352	0.4
180.04161	0.4
181.04921	0.9
185.56396	0.2
191.06973	0.4
195.06552	1.1
204.07864	0.5
205.08571	0.6
211.07669	0.2
219.10172	0.8
226.06049	0.3
227.06964	0.2
228.76611	0.2
229.08611	0.2
239.06996	0.2
255.06534	0.4
257.08124	0.8
270.08887	4.5
271.09549	0.7
281.08023	0.5
282.08777	1.6
283.06085	0.9
283.09592	0.6
284.06750	1.8
285.07648	1.8
286.07669	0.3
295.09744	0.4
297.07501	0.8
297.22083	0.4
298.08356	1.0
299.09128	12.8
300.09720	1.6
310.08298	0.3
311.05438	0.8
311.09155	1.1
312.06290	3.0
313.07028	2.4
314.07761	3.8
325.07001	2.1
325.10568	0.5
325.14233	0.4
327.08624	56.0
328.09311	15.1
328.13446	0.4
329.09711	1.0
343.11761	100.0
344.12125	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1176
Annotation	porphyrin-5,15-diol
Peak:m/z	Relative Intensity
51.36765	0.2
55.05482	0.5
65.03940	0.3
66.04694	0.7
67.05486	0.6
69.07056	0.4
69.20029	1.3
69.20439	0.4
77.72105	0.2
77.91065	0.2
79.01868	0.2
79.05477	0.7
81.03372	0.3
81.07029	0.9
83.01331	0.6
83.08600	0.5
91.05454	0.4
93.07035	0.2
94.04184	1.3
95.08590	0.9
98.22594	0.5
103.05451	0.8
105.06999	0.7
108.05745	0.3
109.02886	1.5
121.02844	0.2
121.10171	0.3
122.03669	1.1
125.40718	0.2
131.04924	0.3
131.08556	0.2
132.05721	2.0
133.06493	7.4
135.04414	9.5
137.02309	0.7
137.05995	1.5
137.13281	0.4
145.06479	0.6
149.02364	0.8
150.03117	8.2
151.03938	2.3
151.05055	0.4
151.07481	0.7
153.01808	1.0
159.08012	0.4
161.06007	1.1
162.06686	0.2
163.07529	0.4
166.02618	0.6
167.03380	1.1
168.04179	14.3
169.04446	0.2
177.09108	0.2
181.01320	0.9
183.08176	0.2
191.10689	0.3
195.08031	0.4
199.02325	0.3
201.05344	0.3
201.14835	1.5
204.07782	0.4
205.08606	0.5
211.07550	0.7
219.10217	0.7
223.07445	0.3
226.09940	0.3
239.07098	1.2
240.07683	0.4
251.07156	0.3
253.08589	4.0
254.09315	1.4
255.06696	0.2
257.08380	0.2
267.06464	1.2
268.07153	0.4
271.06137	0.2
280.07126	0.4
281.08090	19.3
282.08850	40.7
283.09164	2.6
284.06775	0.3
285.07538	3.7
286.08099	0.3
297.07605	0.5
298.08493	0.5
299.09103	1.3
300.09906	0.3
309.07565	1.2
310.08344	44.1
311.08698	3.0
313.07043	5.6
314.07584	0.4
325.10602	0.5
325.14285	0.2
325.18036	0.4
327.08566	1.4
328.09399	8.8
329.09799	0.6
343.11755	100.0
344.07922	0.4
344.12091	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.118
Annotation	6,7,3',4'-Tetramethoxyflavone
Peak:m/z	Relative Intensity
53.03938	0.4
55.05508	0.8
57.07074	0.4
62.06094	3.9
65.03889	0.5
66.04749	0.4
67.05516	1.6
69.07063	1.1
71.31531	0.4
71.31905	0.3
79.05493	0.9
81.03400	0.5
81.07034	0.7
83.08630	0.5
91.05504	1.6
93.07050	1.1
94.94038	0.4
95.08614	1.5
97.10146	0.5
103.05474	0.5
105.07005	0.6
107.04924	0.5
107.08597	0.7
108.02103	0.5
108.05704	0.6
109.02893	0.9
109.10159	1.0
116.02592	0.3
119.04945	1.5
121.06517	3.3
122.03644	0.5
131.04909	0.4
131.08597	0.4
132.05714	0.9
133.06499	3.6
133.10126	0.9
134.07272	8.1
135.04416	5.2
137.02322	0.6
137.05945	0.6
138.03127	0.7
143.08519	0.4
145.06497	0.5
147.11598	0.3
149.05998	0.4
150.03133	2.1
151.03920	7.7
151.05020	0.7
151.07539	0.7
153.01816	2.2
155.17773	0.4
159.08055	0.4
159.11681	0.4
161.05988	1.5
163.03981	0.5
163.07523	0.8
166.02608	0.5
167.03442	0.6
168.04182	5.3
173.05980	0.4
177.05441	0.6
177.09091	0.5
181.01297	0.9
183.04207	0.3
184.03662	0.5
191.07021	0.5
195.02907	0.8
196.03647	0.4
199.02364	0.5
199.75404	0.4
205.08649	0.5
212.03065	0.3
219.10144	0.8
225.09175	0.4
239.07068	1.3
240.23303	0.6
253.08473	2.3
254.09251	1.2
256.07327	1.4
257.08109	0.6
267.06528	0.5
270.08755	0.5
281.08078	8.5
282.08862	12.0
283.09183	0.8
284.06863	2.0
285.07541	3.4
297.07480	0.9
298.08228	1.0
299.09128	14.9
300.09683	1.1
309.07565	3.4
310.08344	27.6
311.08890	3.7
312.06006	0.4
313.07022	4.9
314.07816	2.5
324.28928	1.0
325.07083	1.6
325.10727	1.0
325.14313	0.5
325.17950	0.8
327.08636	16.1
328.09369	12.0
328.15308	0.4
329.09717	1.0
342.29947	0.4
342.37131	0.7
343.11758	100.0
344.12091	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	343.1176
Annotation	porphyrin-5,15-diol
Peak:m/z	Relative Intensity
50.18647	0.3
51.78856	0.4
55.05505	1.1
57.07075	6.3
58.06602	1.0
62.06091	2.6
63.30380	0.3
67.05503	1.7
69.07062	1.5
69.37800	0.4
71.08630	2.5
72.08155	1.0
79.05486	1.0
81.07049	1.5
83.08616	0.9
85.10190	0.8
85.68375	0.4
86.42117	0.5
88.07626	0.7
91.05470	1.0
93.07056	1.2
95.04958	1.0
95.08613	0.9
103.05473	0.5
104.15529	0.4
105.07026	1.8
107.08589	0.9
108.05725	0.6
109.10168	0.9
119.08598	0.9
121.06514	1.7
121.10118	1.4
123.08058	0.5
131.08601	0.4
133.10136	1.0
135.04408	6.0
135.05356	0.7
136.05200	0.5
137.05916	0.6
145.06416	0.5
147.08037	0.6
149.13203	0.4
151.03931	4.3
151.07590	0.6
156.17471	1.3
159.08049	0.5
161.06004	0.7
165.05466	0.5
174.18532	2.6
177.09007	0.5
179.03430	1.2
179.06969	0.4
181.04903	0.5
182.69308	0.4
189.16440	0.5
205.08661	1.0
211.07468	0.7
212.23724	1.2
223.09615	1.1
229.08578	1.0
230.24800	1.9
231.25180	0.5
240.23271	1.1
241.08572	0.6
243.10117	0.7
253.08659	0.7
254.09280	0.5
257.08047	7.6
267.06467	0.8
268.30054	0.7
269.08151	0.6
271.09692	0.7
273.14798	0.5
279.20758	0.4
282.08914	1.2
283.09720	0.7
285.07602	9.8
286.08249	0.5
286.30975	2.3
287.31412	1.4
297.07477	1.0
299.09201	2.3
300.09894	3.3
310.08435	1.8
311.09091	0.8
313.07095	7.2
314.07468	0.6
324.36356	0.5
325.10602	1.0
325.14224	0.6
325.17886	1.0
325.21429	0.6
327.08643	14.7
328.09399	36.3
329.09790	1.7
342.37305	44.3
343.11758	100.0
343.18829	2.8
343.37637	18.3
344.12131	7.0
363.25269	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1175
Annotation	6,7,3',4'-Tetramethoxyflavone
Peak:m/z	Relative Intensity
57.07031	0.4
58.51357	0.3
65.21357	0.3
69.28529	2.6
69.28958	0.3
70.83813	0.4
79.70689	0.4
83.86735	0.4
107.04883	0.7
108.05646	1.5
110.33648	0.5
121.06339	0.5
125.02209	0.3
135.04402	8.4
137.05922	0.6
151.03825	1.5
155.34538	0.4
163.03807	1.4
164.04639	0.5
165.05376	0.5
179.03264	0.7
217.10849	0.3
227.06944	1.2
228.07784	0.8
229.08548	0.5
239.06950	1.3
241.08548	0.6
253.08424	0.5
255.06390	1.8
256.07193	1.3
257.08035	2.2
267.06558	3.3
269.08029	0.4
270.08823	0.5
281.08005	0.6
282.08722	0.5
283.06018	1.7
284.06699	2.0
285.07550	5.1
288.06345	0.6
295.05826	0.7
297.07565	5.3
298.08441	3.6
299.09116	21.8
300.09558	2.1
309.07642	1.6
310.08331	13.9
311.08826	0.5
312.06305	1.2
313.06979	7.7
327.08609	34.5
328.09369	50.2
329.09808	2.6
330.07318	3.7
342.37274	2.8
343.11743	100.0
343.37643	1.4
344.12045	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	343.1175
Annotation	Vitexdoin A
Peak:m/z	Relative Intensity
53.03939	5.0
55.01859	3.4
55.05507	7.9
57.03438	2.8
60.96761	1.6
65.03938	3.5
67.05500	27.7
69.03426	5.8
69.07071	7.2
71.04987	6.1
71.32526	2.4
77.03925	2.0
77.62693	1.5
79.05493	19.6
81.03414	10.7
81.07053	32.5
83.04986	3.4
83.08625	5.9
85.02898	4.9
85.06521	3.5
91.05473	16.7
93.07050	11.1
95.04988	4.6
95.08600	31.1
97.02894	2.4
97.06536	3.0
97.10165	5.0
99.04424	3.5
103.05466	92.9
104.05756	1.8
105.07017	12.0
107.04949	14.8
107.08585	18.9
109.02878	3.4
109.06534	2.8
109.10140	13.9
111.04434	3.3
111.08041	2.3
115.05462	5.5
117.03355	4.4
117.07038	9.1
119.04939	6.9
119.08578	4.5
121.06506	9.0
121.10133	6.4
123.04443	4.4
123.08096	1.9
123.11721	5.0
125.05975	1.8
127.03992	2.3
129.06985	2.2
131.04926	40.8
131.08566	5.1
132.05733	2.3
133.02838	3.4
133.06487	2.9
133.10112	4.0
135.04410	9.8
135.08049	49.5
135.11670	5.6
137.05978	42.5
137.09627	2.3
137.13228	2.4
140.04628	2.3
145.02812	5.9
145.06453	4.0
147.04424	12.7
147.08101	1.9
147.11659	3.5
148.05174	3.7
149.05984	30.9
151.03908	21.9
151.05031	3.2
151.07559	8.6
153.05412	2.3
157.06451	2.2
159.07994	2.1
161.05937	5.7
161.13245	3.8
163.03906	18.8
163.07541	54.0
163.08884	3.7
164.08333	100.0
165.08878	5.0
167.07114	3.8
173.05971	6.9
173.13255	2.8
175.07579	1.9
177.05487	4.1
179.06989	8.0
180.07794	6.4
181.04965	15.0
181.06447	2.3
181.08565	9.5
182.05243	2.0
187.03893	6.5
188.04646	2.6
189.09111	3.7
191.06998	1.8
194.07248	2.9
195.08003	2.3
197.05983	1.7
201.05457	14.6
205.06516	2.0
207.08006	2.5
211.36670	1.7
219.06538	7.2
219.08298	2.9
227.07069	2.1
233.06004	3.1
237.09140	1.9
239.06978	2.2
240.07672	2.0
247.07582	7.8
249.05533	2.3
250.06212	3.9
251.06839	2.2
255.10121	3.8
257.07959	3.6
261.22198	4.1
264.07751	6.0
265.08646	7.8
265.12326	2.0
267.06375	2.4
275.07050	2.4
279.23196	4.2
282.08759	4.3
283.06085	1.9
283.09555	7.5
285.07684	4.0
292.07303	5.5
297.11133	5.0
300.09915	4.4
307.09601	27.7
308.09946	2.6
311.09143	4.7
311.12610	2.5
315.12241	4.1
325.10532	44.3
326.10986	4.4
328.09430	2.9
343.08231	2.6
343.11758	33.9
343.15329	4.4
344.12033	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	343.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18971	5.1
53.94759	5.0
57.03442	5.8
59.82003	4.9
61.02920	22.5
63.74303	6.7
69.03430	21.0
70.06584	18.3
71.13432	6.9
71.13774	6.0
73.02904	13.3
81.03397	9.3
85.02898	100.0
85.41419	5.7
91.03960	19.4
97.02875	33.4
99.04494	12.0
109.02874	7.6
125.14925	5.5
127.03907	52.0
142.16742	6.0
143.69685	5.5
145.04953	40.5
153.06575	8.2
163.06035	19.3
171.10878	6.5
173.07710	6.7
190.74658	6.0
194.25902	5.4
197.03810	13.0
204.27800	5.7
225.07291	7.4
226.97986	6.3
244.30356	6.9
326.08023	8.3
343.19653	14.1
344.09036	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	343.1236
Annotation	D-(+)-Trehalose
Peak:m/z	Relative Intensity
54.06319	3.2
55.01850	7.3
56.95334	3.2
57.03422	9.9
59.88599	3.4
61.02917	16.2
62.61764	3.6
66.11286	3.2
66.52298	3.3
69.03423	39.8
70.06582	9.1
70.47040	7.4
71.04971	9.1
73.02909	11.9
78.34543	3.7
81.03409	24.5
81.21483	3.9
85.02410	5.4
85.02903	100.0
90.05442	4.2
91.03943	16.4
95.46633	3.3
97.02882	29.6
99.04460	6.9
101.02341	3.3
109.02866	25.5
113.44969	4.2
116.68568	3.7
127.03896	49.8
145.04976	30.5
155.49670	3.5
163.06010	16.6
165.07649	4.8
179.21599	5.0
181.04744	4.4
181.07219	5.6
198.98534	4.6
202.04961	7.4
218.95383	4.3
226.97977	7.7
230.44635	3.8
231.92570	3.9
325.09784	4.4
343.07767	19.2
343.15921	7.4
344.08871	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	343.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64461	0.3
55.90431	0.3
57.03430	0.4
65.70707	0.4
69.03441	0.8
70.06595	0.9
70.51328	0.9
79.05517	0.6
81.03423	0.5
81.07019	0.5
85.02901	2.1
91.05491	0.7
93.07036	0.4
97.02901	0.8
105.07034	0.4
107.08611	0.4
117.07019	0.4
119.04898	0.6
121.06563	0.6
127.03923	0.8
137.02365	0.4
137.05995	1.1
145.06544	0.5
147.04359	3.3
147.40846	0.4
151.03943	0.7
153.05424	0.7
163.07501	0.7
164.01656	0.5
165.05495	1.3
175.07574	0.4
181.04996	0.8
181.08418	1.4
182.02734	1.2
229.08604	0.4
273.44165	0.4
274.95654	0.5
343.13629	100.0
344.13934	7.2
344.17825	0.7
361.08301	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
59.40641	0.4
65.03922	0.7
69.03419	1.7
70.06598	0.9
71.04993	1.1
71.35760	0.8
73.04726	0.4
81.03414	1.3
85.02907	2.5
87.04482	0.5
91.05482	1.3
96.04496	1.2
97.02877	1.3
107.04952	1.1
109.02891	1.4
119.04936	1.2
121.06504	1.0
123.04417	1.1
127.03930	0.7
131.04956	0.7
133.06465	0.5
135.08022	0.8
136.47447	0.4
137.05949	2.4
146.71991	0.5
147.04410	5.5
151.03931	1.4
151.07556	0.6
153.01831	1.0
153.05530	0.7
160.05217	0.6
163.03937	0.5
163.07504	1.1
163.11186	1.7
163.81281	0.4
165.05478	2.4
167.07048	1.1
170.57829	0.4
175.07501	1.2
176.08073	0.5
179.03383	2.2
179.06908	0.5
180.03700	0.8
180.06520	0.6
181.03764	0.7
181.05064	1.1
181.06558	0.4
181.08434	1.5
181.10364	0.4
181.12164	0.5
182.02765	0.6
186.99092	0.5
187.07565	0.5
191.07008	0.9
203.05275	1.1
205.08713	0.5
257.59460	0.5
311.05252	0.8
343.13614	100.0
344.13962	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	343.1384
Annotation	Coniferin
Peak:m/z	Relative Intensity
51.02365	0.8
51.49866	0.7
51.61621	0.8
53.03944	6.9
53.22813	0.7
53.70566	0.7
55.01867	2.5
55.89651	0.9
56.43553	0.8
56.62288	0.7
57.03417	2.4
65.03941	5.7
67.05489	3.7
69.03426	15.8
70.68044	2.5
71.04983	2.8
73.02895	1.8
77.88217	0.8
79.05491	10.1
81.03410	40.5
81.07037	1.5
82.03752	0.9
82.04179	2.1
85.02900	15.5
91.05473	16.1
93.03394	1.7
93.07027	4.0
93.79189	0.9
95.04929	5.6
97.02880	5.5
97.06519	2.3
99.04443	4.3
103.05469	2.3
105.07016	7.4
107.04957	5.4
107.08583	31.8
108.08894	1.4
109.02876	15.6
109.06490	3.2
109.10152	1.3
110.03665	2.1
111.04417	1.6
112.98872	0.8
115.05458	8.2
117.07008	12.0
119.06036	3.0
120.05711	1.0
121.06504	4.5
123.04429	2.9
123.08017	0.9
125.05991	1.7
127.03928	6.8
128.06204	2.0
129.07013	6.2
131.04846	1.2
133.06465	1.1
135.08044	100.0
136.08368	4.2
137.05969	5.4
138.03088	2.5
140.04657	12.7
140.05641	1.3
142.02563	1.4
145.10275	1.0
147.04355	1.4
149.05919	1.1
151.03809	1.4
153.05467	2.8
153.09006	0.8
155.07062	3.4
157.06462	2.6
161.06007	4.5
163.07527	42.7
164.07884	3.2
166.06303	0.9
167.07001	6.2
171.06549	1.6
174.06804	2.5
175.07497	2.9
176.32416	0.8
181.04942	85.4
181.08537	20.7
182.05310	4.6
189.05472	2.1
189.09084	10.9
199.06067	3.9
215.22472	0.8
237.09334	1.0
238.60315	0.9
251.10707	1.2
252.53181	1.0
265.08627	1.9
293.11710	0.8
297.11279	1.3
299.12637	1.4
311.12830	2.1
318.79663	0.8
325.09119	11.5
325.12814	16.7
343.11737	1.6
343.15198	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	343.1386
Annotation	Myzodendrone
Peak:m/z	Relative Intensity
53.03933	3.4
53.25438	0.8
53.39923	0.9
55.01863	3.1
57.03429	2.0
59.77164	0.8
61.02919	1.2
65.03929	3.1
67.05502	2.3
68.20692	0.9
69.03424	11.0
70.23916	0.9
70.39190	0.8
71.04987	1.9
73.02915	1.9
77.03921	1.3
78.19357	0.8
79.05491	12.8
81.03413	19.4
84.74230	1.0
85.02898	9.1
91.05468	20.5
93.07026	2.7
94.04133	0.9
95.04953	2.6
97.02876	6.1
97.06530	2.2
98.22493	1.4
99.04469	5.2
100.11239	1.0
103.05459	5.5
104.75838	0.7
105.07024	11.6
107.04950	10.2
107.08588	27.4
109.02872	9.0
109.06495	4.4
111.10186	0.8
115.05447	13.3
117.07005	11.5
118.07349	1.1
119.06034	2.2
120.05656	0.9
121.06516	3.5
122.03667	1.1
123.04479	1.9
125.05971	1.0
127.03899	7.4
128.06200	1.1
129.07016	3.0
131.04913	4.4
133.06509	2.7
135.08043	100.0
136.08386	3.6
137.05965	19.8
138.03088	0.9
140.04703	2.5
141.07005	1.2
145.06462	0.9
146.03603	2.6
147.04362	3.0
149.05971	4.9
151.03879	1.6
151.07520	2.8
153.05437	3.8
155.07045	0.9
157.06474	1.8
161.05975	15.6
162.06779	4.3
163.07538	55.4
164.07855	2.3
165.06963	1.2
166.07661	0.9
167.06976	3.7
167.08272	0.9
169.06506	1.5
171.06549	2.1
174.06734	1.3
175.07532	12.8
177.09111	1.9
178.07738	1.1
179.08653	0.9
181.04953	24.8
181.06514	1.2
181.08556	18.0
181.10091	1.6
182.05293	2.5
182.08997	1.0
185.41353	0.9
187.07661	1.1
189.05453	1.0
189.09053	8.3
190.07747	1.2
194.07199	1.6
201.09123	1.0
205.10092	1.5
205.29741	1.0
206.07304	1.0
207.08092	2.4
211.07538	1.4
215.08321	0.9
218.07242	1.2
219.08115	1.8
219.10172	3.2
221.06085	1.0
221.09648	1.0
222.06717	2.3
223.07501	1.3
224.08267	0.9
227.10892	1.0
233.09602	2.6
235.07545	2.6
237.05447	1.0
237.09045	3.5
239.06990	1.4
241.08669	1.2
250.06305	2.1
250.09958	1.8
252.07536	1.1
253.08450	1.2
261.09048	1.8
264.07724	1.8
265.08542	6.8
265.12296	2.7
265.45621	0.8
267.06476	1.5
267.10211	2.3
269.07986	3.1
278.09357	1.6
279.09821	1.4
279.70029	0.8
281.08176	2.0
282.08826	3.0
283.09558	1.2
283.13370	1.2
284.10449	2.3
293.11633	5.3
294.11960	1.0
297.11206	11.3
297.14508	1.6
299.12775	8.1
300.13129	1.2
310.11850	2.0
311.09467	1.3
311.12735	20.9
312.13208	1.5
325.09036	2.3
325.13342	6.1
343.11676	3.3
343.15302	14.7
344.15878	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1387
Annotation	Coniferin
Peak:m/z	Relative Intensity
53.03930	2.8
55.01863	2.3
55.05504	1.6
57.03423	1.6
57.96004	0.9
60.46806	0.9
65.03927	4.1
67.05486	3.4
69.03427	10.8
69.07077	1.2
71.04990	2.6
79.05477	9.6
81.03420	24.4
81.07039	4.6
83.04993	1.0
83.08603	1.3
83.46018	0.9
84.88567	0.8
85.02906	6.6
91.05463	18.8
93.03399	1.2
93.07018	4.0
95.04964	2.3
95.08590	3.6
97.02878	3.6
97.06494	1.9
98.22594	2.1
99.04446	4.0
102.04665	3.2
103.05461	8.2
105.07021	9.9
107.04936	6.7
107.08588	32.4
108.08901	1.6
109.02876	9.1
109.06504	4.2
109.10120	2.0
110.03654	1.1
111.04409	2.7
115.05457	12.2
117.07016	12.7
119.04925	3.0
119.06042	1.8
119.08632	1.1
120.62109	0.9
121.06500	3.0
125.05959	2.5
127.03922	2.3
130.04144	3.1
131.04918	7.0
131.08537	1.2
133.06465	3.5
133.10063	1.1
134.17419	0.9
135.08046	100.0
136.08383	3.3
137.05969	12.2
145.10059	1.2
147.04391	3.9
149.05974	4.0
151.03915	11.3
151.05031	1.6
151.07544	3.8
153.05476	1.3
153.09064	1.2
156.68347	0.8
161.05972	4.5
162.06798	6.9
163.07533	42.1
163.11241	1.0
164.08324	5.0
165.05579	1.2
165.07048	1.6
165.09007	0.8
166.06213	2.0
167.07097	1.4
173.05991	2.1
175.03940	1.1
175.07539	3.1
177.05461	2.3
179.07036	3.6
181.04971	6.8
181.08589	17.8
187.07603	0.9
189.09059	1.9
193.08659	1.0
194.09305	1.3
195.07942	1.3
201.05431	4.1
219.09924	1.1
221.06073	1.7
222.06708	1.8
237.09175	1.0
240.07689	1.3
251.07153	1.1
257.08066	1.4
264.07620	1.5
265.08591	2.3
267.06796	1.0
267.55298	0.9
283.09579	3.2
284.10385	1.2
285.07544	2.0
293.08167	1.4
297.11115	2.3
311.09134	17.0
311.12592	2.3
312.09399	2.7
315.12033	1.1
325.12949	19.8
326.13342	1.5
343.07962	1.7
343.11667	12.5
343.15271	2.4
343.22733	1.4
344.12115	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1537
Annotation	Jamesoniellide D
Peak:m/z	Relative Intensity
51.35950	1.5
53.03957	7.9
55.01862	6.8
55.05531	1.9
57.03436	3.2
65.03944	6.4
67.05499	5.5
69.03432	16.5
70.47945	1.6
70.48272	4.7
71.04994	5.3
76.11671	1.7
76.95148	1.6
78.04738	1.9
79.05483	14.4
81.03413	27.4
81.07072	3.7
85.02885	12.2
89.03921	4.5
91.05474	33.0
93.03384	2.8
93.07047	8.1
94.04171	2.4
95.04979	10.5
95.08585	2.3
97.02898	5.0
97.06517	3.8
99.04462	7.7
102.04689	3.8
103.05453	24.2
105.03397	4.1
105.07018	20.5
106.04192	4.2
107.04952	36.3
107.08584	33.2
109.02850	9.7
109.06542	9.3
110.03672	1.7
115.05441	21.1
116.06287	2.5
117.03394	3.9
117.07017	12.5
119.04943	6.3
121.06506	27.8
121.10157	2.5
122.03654	7.3
122.07281	6.4
123.04430	3.5
123.54629	1.6
125.06068	2.9
127.03895	8.0
129.07016	4.7
130.04146	4.0
131.04939	20.0
131.08557	3.5
132.05725	3.6
133.02879	5.2
133.06473	11.3
135.04422	2.2
135.08044	96.5
136.08386	3.9
137.02408	2.5
137.05969	94.7
138.03145	3.7
138.06284	1.7
140.04684	9.2
141.07014	4.9
144.05711	1.6
145.06483	5.8
146.03595	12.5
147.04442	11.3
147.05397	1.7
147.08058	3.3
148.08801	2.0
149.05977	17.5
151.03883	3.3
151.07535	22.0
153.05460	6.1
153.09215	1.7
155.05940	2.2
155.07082	2.9
157.06508	2.7
158.07257	3.0
160.05193	2.9
161.05966	67.1
161.09657	2.0
162.06757	19.1
163.07538	89.3
164.07947	3.7
165.05562	3.6
165.07021	5.8
167.07077	5.2
169.06516	6.0
171.06575	6.6
173.09622	3.8
174.06772	4.2
175.07532	57.9
176.08040	3.1
177.05559	3.0
177.09138	9.4
178.07794	3.0
179.08578	4.3
179.10689	5.5
181.04944	98.1
181.08517	23.5
182.05357	4.4
183.08131	1.8
187.07501	2.3
189.05470	2.8
189.07317	2.3
189.09077	11.9
190.07762	7.6
191.07027	2.8
191.08662	2.3
191.10751	3.9
193.08629	5.2
194.07295	6.5
195.08034	2.6
196.08804	2.0
199.06087	4.7
201.09134	5.9
205.06525	6.8
205.10162	7.2
206.10814	1.7
207.08136	8.9
209.06004	1.9
209.09520	4.0
211.07545	5.7
215.08607	3.5
218.07321	5.5
219.08055	5.0
219.10201	11.9
221.06021	6.4
221.09648	3.7
222.06752	7.6
223.07541	7.0
223.11095	3.1
224.08344	5.2
225.09105	5.0
233.06067	5.7
233.09587	15.8
234.10258	4.9
235.07579	7.7
236.08327	3.9
237.05537	2.5
237.09085	15.1
237.12770	2.3
239.07047	5.5
239.10712	3.2
240.07755	2.4
241.08627	4.8
247.07626	2.5
249.09131	4.3
250.06328	7.1
250.09975	6.5
251.07085	6.1
251.10629	4.9
252.07811	3.8
253.08540	5.1
254.05714	2.0
254.09386	8.3
255.10214	2.5
261.09134	9.3
263.07114	4.1
264.07779	3.8
265.08588	27.6
265.11880	12.2
266.09232	2.7
267.10123	12.2
269.08121	10.1
269.11807	4.2
270.08499	2.3
278.09412	5.7
279.10126	3.9
281.08078	3.7
281.11340	2.4
282.08954	10.0
282.11835	1.9
283.09897	2.1
283.13184	7.9
284.10529	9.4
284.13345	2.2
285.07578	2.0
293.08200	3.2
293.11667	23.2
294.12323	3.8
295.09698	3.7
296.10345	3.2
297.11279	45.9
297.14832	5.5
298.11603	4.0
299.12738	41.4
299.15982	2.8
300.13104	3.7
301.03510	2.3
310.12061	4.8
311.12729	100.0
312.13123	10.5
313.10699	2.3
314.15213	2.2
325.09286	8.4
325.14279	28.9
326.14822	2.5
343.08395	2.4
343.11844	4.4
343.15405	57.3
344.15735	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	343.1539
Annotation	Arisantetralone A
Peak:m/z	Relative Intensity
51.48220	1.2
53.03940	3.0
55.01868	3.1
65.03952	2.2
67.05493	2.2
69.03419	4.9
69.24893	2.3
69.25298	8.4
72.02791	1.2
79.05508	8.6
81.03391	6.9
81.07055	1.6
85.02902	4.5
91.04916	2.3
91.05466	21.7
93.07030	4.1
94.04185	2.0
95.04987	3.0
97.02897	3.1
99.04442	1.8
99.08157	1.1
102.04639	2.4
103.05460	17.8
104.06269	1.6
105.03402	4.6
105.07024	11.8
106.04153	4.5
107.04959	29.8
107.08567	3.4
109.02884	3.6
109.06528	1.5
111.04409	1.4
115.05445	13.5
117.03481	1.3
117.07016	4.9
119.04944	3.7
119.08555	1.5
121.06514	4.9
122.03644	8.1
122.07314	7.9
123.04398	1.3
124.05194	1.4
125.05961	1.4
127.03880	3.1
128.06226	1.8
129.07013	4.0
130.04161	5.2
131.04927	16.9
132.05713	2.5
133.06465	8.1
135.04427	1.5
135.08043	15.6
137.05974	70.5
138.06335	1.3
140.04681	4.2
141.06946	2.5
144.05678	1.9
145.06485	5.4
146.03642	9.9
147.04404	11.0
147.08043	3.5
148.08812	2.2
149.05986	8.0
151.03893	2.4
151.07549	10.2
153.05453	3.6
157.06473	2.6
159.08012	1.4
160.05159	3.7
161.05972	59.4
161.07335	2.8
162.06757	17.8
163.07545	39.7
165.06987	3.3
166.07799	2.5
167.07082	4.3
169.06499	4.0
171.06512	2.1
172.05119	2.2
173.09644	2.0
174.06758	3.5
174.10101	1.3
175.07541	56.8
176.07887	2.5
177.05539	2.0
177.06963	1.7
177.09093	7.2
178.07814	2.3
179.08531	3.2
179.10580	1.6
181.04971	33.6
181.06468	2.9
181.08575	13.7
183.08046	1.9
186.06602	1.4
189.07166	1.8
189.09090	7.7
190.07774	4.6
193.08595	2.7
194.07193	6.2
195.08043	2.5
196.08818	2.0
199.05908	1.8
200.04568	1.6
201.09119	5.8
202.47932	1.5
203.08612	2.7
205.06448	5.3
205.10092	6.8
206.07240	1.6
207.08072	6.6
208.08693	1.9
209.05952	1.7
209.09575	2.7
211.07532	2.7
215.08603	3.8
217.06522	1.4
218.05438	1.7
218.07298	4.5
219.07997	4.1
219.10167	14.8
221.06004	4.6
221.09590	3.7
222.06776	7.9
222.10315	2.3
223.07516	4.2
224.08311	2.6
225.09041	2.0
227.41301	1.4
232.08784	2.8
233.05911	4.4
233.09573	13.9
234.06805	3.0
234.10263	2.6
235.07472	9.2
236.08241	3.7
237.05548	2.8
237.09050	11.2
237.12793	1.5
238.09627	2.3
239.07039	3.7
239.10654	3.0
241.08543	3.0
247.07484	2.0
249.05421	1.7
249.09053	3.8
250.06201	4.8
250.09837	6.5
251.06917	4.2
251.10663	3.4
252.07784	2.9
253.08649	3.6
254.09265	3.7
261.09079	8.8
263.07083	3.1
264.07687	4.1
265.08554	21.1
265.12225	9.5
266.09146	1.5
267.07440	1.5
267.10156	9.5
269.08194	8.9
269.10941	1.6
277.08755	1.4
278.09308	4.5
279.10150	2.8
279.53320	1.4
281.08163	1.8
282.08893	6.0
282.12341	1.3
283.09625	2.1
283.13281	3.6
284.10342	7.1
293.11679	17.4
294.12466	3.6
295.09784	3.3
297.11246	39.8
297.14828	4.0
298.11584	3.7
299.12747	39.5
300.13104	2.1
310.11978	5.7
311.12750	100.0
312.09967	1.5
312.12958	7.2
313.14362	3.4
325.09225	3.6
325.14304	23.4
343.11499	3.4
343.15390	35.6
344.15491	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.9
55.01876	4.9
57.03429	1.2
57.07079	1.6
65.03937	3.0
67.05490	3.0
69.07061	1.7
70.66000	1.5
70.66344	0.8
71.90190	0.7
77.03899	0.9
79.05498	5.2
81.07035	2.2
82.30445	0.6
91.05473	46.0
92.05806	1.6
92.06324	0.6
93.07037	1.6
94.04182	0.8
95.04972	4.5
95.08580	3.3
103.05466	19.3
104.06256	2.6
105.07018	7.1
107.04944	19.9
107.08603	1.0
108.02130	0.7
109.02862	2.2
109.10133	1.9
111.04423	0.9
113.77176	0.6
114.61785	0.6
115.05421	2.9
116.06233	1.1
117.07037	1.2
119.04935	36.5
119.08576	1.0
120.05706	2.5
121.06508	2.9
121.10123	1.0
122.03682	1.1
123.04465	0.9
123.08080	0.8
124.05207	9.5
125.05920	0.8
129.06990	1.1
131.04930	7.3
131.08578	3.1
132.05702	1.6
133.06468	3.8
133.10045	0.8
135.04391	1.3
135.08051	6.6
136.05193	2.1
137.05971	9.2
138.06317	0.9
141.05397	0.8
143.07048	0.9
144.05659	0.9
145.06459	1.3
145.07573	0.6
147.04399	45.7
148.05128	2.1
149.05965	6.1
150.06755	1.6
151.03912	26.6
151.04991	2.0
151.07533	100.0
152.07863	3.5
159.08064	4.1
161.05968	1.9
161.09558	1.0
162.06773	2.3
163.03941	1.7
163.07536	45.1
164.08311	7.4
165.05469	3.5
165.06880	1.1
165.09111	1.5
167.07089	1.4
167.08601	0.8
173.09557	1.0
176.08319	1.4
177.05432	0.7
178.06253	1.4
179.07022	37.7
180.07797	23.0
180.09428	0.9
181.04744	0.8
181.06375	0.9
181.08095	0.7
181.10173	0.7
187.07489	4.9
189.09180	1.0
191.06999	1.4
191.10654	24.7
192.10954	1.3
195.08047	1.4
197.06033	0.9
208.08829	3.2
209.09409	0.9
211.07576	1.9
212.08279	0.9
213.09186	1.1
219.10172	4.6
223.11093	1.2
225.09044	1.1
227.07014	1.3
227.10712	0.9
236.08295	0.7
237.09067	1.0
240.23199	2.8
241.08577	1.4
251.10669	1.3
253.08527	1.6
254.09427	1.1
255.10266	1.0
257.08060	1.5
259.09619	1.4
265.08569	0.8
267.10202	1.4
269.08102	1.3
269.11520	1.7
270.08875	1.7
271.09702	1.4
279.10065	0.8
283.13315	1.7
284.10449	3.1
285.10797	1.4
287.12646	1.8
293.11639	2.1
295.09744	0.8
297.11197	0.8
300.09924	1.0
311.12653	2.8
313.10675	1.5
325.14264	1.7
343.07410	1.7
343.11621	4.8
343.15359	19.3
343.19226	1.4
343.22208	1.7
343.26364	1.0
343.33154	0.7
344.15680	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84670	0.3
53.03945	0.3
55.01872	0.5
55.05494	0.6
65.03925	0.7
67.05518	1.0
68.99780	0.2
69.07053	0.4
69.18594	1.2
69.19006	0.7
72.38101	0.2
72.72381	0.2
79.05482	0.7
81.07033	0.9
83.04968	0.8
91.05479	3.3
93.03383	0.4
93.07030	0.9
95.04980	1.1
95.08594	0.9
97.10167	0.3
99.08035	0.3
103.05463	3.0
105.07039	1.0
107.04956	1.5
107.08577	0.5
108.02106	0.3
109.02845	0.6
109.06518	0.3
109.10139	0.6
111.04414	0.7
115.05467	1.3
116.06234	0.5
117.07027	1.1
118.04104	0.3
119.04952	1.2
119.08563	0.4
121.06519	0.6
121.10141	0.5
122.03641	0.4
123.04417	0.2
125.05947	0.4
128.06187	0.4
129.06984	0.8
131.04951	2.2
131.08568	5.3
132.05699	0.2
133.06479	1.3
133.10101	0.7
135.04430	1.9
135.08037	0.6
137.02307	0.3
137.05974	5.2
141.05409	0.4
141.06993	1.2
143.04912	0.3
143.08528	0.2
144.05740	1.2
145.06473	2.2
145.10129	0.3
147.04405	1.5
147.08037	0.4
148.05225	0.3
149.05978	1.4
151.03914	17.2
151.05009	1.5
151.07524	4.4
152.04253	0.6
153.05513	1.0
157.06487	0.3
157.10069	0.2
158.07272	0.8
159.08058	17.2
160.08455	0.7
161.05965	5.3
161.09592	0.9
162.06657	1.0
163.03891	0.6
163.07559	1.9
163.11197	0.5
164.04742	0.4
164.08354	1.9
165.05482	0.6
165.06953	0.4
165.09088	0.3
167.07068	0.7
169.06436	2.3
169.07675	0.2
170.44292	0.2
171.07994	0.4
171.11777	0.2
173.06041	1.0
173.09584	0.5
174.06744	0.5
175.07574	1.3
176.08347	3.4
176.42776	0.2
177.05431	0.6
177.09108	2.9
179.03416	0.4
179.05493	0.2
179.07014	0.5
181.04851	0.2
185.13240	0.2
186.06729	0.8
187.03946	0.2
187.07536	5.7
188.08316	4.8
189.05464	8.5
189.07155	0.5
189.09062	0.6
191.07019	0.9
191.10667	9.3
192.10942	0.4
193.01317	1.6
193.04817	0.3
195.02902	1.0
197.04456	0.2
197.06039	0.3
201.05463	1.0
201.09131	1.7
203.06973	0.4
203.10812	0.5
204.07820	46.2
205.08220	2.4
211.02405	1.0
211.07608	0.4
219.10161	100.0
220.08484	0.4
220.10501	5.7
224.08345	0.3
225.05524	0.2
227.06961	0.2
227.10678	0.6
233.09541	0.3
235.07524	0.2
237.09059	0.4
239.10638	0.2
240.07713	0.3
241.08543	0.4
242.09114	0.3
250.06401	0.3
251.07019	0.3
253.08499	0.3
255.06407	0.2
255.10147	0.7
257.08014	0.5
265.08463	0.6
267.06293	0.3
267.10046	0.4
269.08066	0.8
279.10083	0.3
282.08948	0.5
283.09705	1.3
283.12677	0.3
284.10306	0.4
285.07553	0.9
293.08051	0.6
293.11322	0.4
295.09637	0.4
297.11255	0.6
299.12665	0.5
300.09827	0.6
301.10706	0.8
307.09509	0.6
310.08185	0.3
310.11691	0.3
311.09088	1.4
311.12576	0.4
312.09427	0.3
315.12195	0.3
325.07013	4.0
325.10699	1.6
325.14203	0.7
325.17621	0.3
326.07532	0.3
328.09488	0.6
341.06433	0.4
343.08017	1.7
343.11697	6.8
343.15424	4.4
343.18854	0.4
343.22552	0.4
344.08337	0.3
344.12015	0.7
344.15707	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1539
Annotation	Drypetenone C
Peak:m/z	Relative Intensity
52.03170	0.3
53.03932	0.5
55.01862	0.6
57.03414	0.2
65.03943	1.5
67.05508	1.7
69.63364	0.9
71.01328	0.3
77.03925	0.4
78.05935	0.1
80.02622	0.2
85.02906	0.3
91.05466	0.3
93.03403	0.2
95.01307	0.2
95.04967	0.9
98.23250	0.3
103.05468	0.3
105.04523	0.2
108.02094	2.2
109.02885	0.2
111.04441	0.5
112.01569	0.3
114.90716	0.2
115.19077	0.2
119.04969	0.3
121.03983	0.3
123.04430	0.2
123.70004	0.2
131.04916	0.2
135.08095	0.2
136.01553	0.4
137.05983	0.8
141.05461	2.0
147.04436	0.2
151.03902	100.0
151.04977	8.3
152.04234	3.2
152.05325	0.3
159.08046	0.5
163.07619	0.3
164.08356	0.2
165.05502	0.3
175.07571	0.2
176.63536	0.2
177.09236	0.2
179.07111	0.2
191.10600	0.8
204.07829	0.2
219.10156	0.7
300.93811	0.2
343.11612	0.4
343.15350	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1538
Annotation	Drypetenone C
Peak:m/z	Relative Intensity
51.02386	0.3
52.03165	0.4
53.03947	0.7
55.01870	1.0
55.05499	0.5
65.03931	1.7
67.05505	2.4
69.07057	0.6
69.58567	1.5
71.01352	0.4
77.03915	0.3
79.05493	1.2
81.07043	1.0
83.08604	0.5
85.02906	0.4
91.05475	3.2
93.03407	0.4
93.07032	1.0
95.04977	1.7
95.08592	1.4
97.06492	0.3
97.10162	0.4
103.05458	2.9
105.04448	0.4
105.07018	1.2
107.04957	2.0
107.08616	0.7
108.02097	2.1
109.02848	0.3
109.06478	0.5
109.10136	0.8
111.04469	0.6
115.05438	2.3
116.06287	0.3
117.07015	2.0
119.04932	0.9
119.08587	0.5
120.05753	0.3
121.06504	2.3
121.10144	0.3
123.04379	1.5
124.05208	0.4
128.06119	0.3
129.06992	0.5
131.04918	2.1
131.08546	1.9
133.06508	1.0
133.10106	0.4
135.04416	1.4
135.08043	1.4
136.05171	2.0
137.05984	5.2
139.07524	0.9
141.05473	2.1
141.07042	0.7
143.04851	0.3
145.06480	5.5
146.07298	2.3
147.04428	1.8
147.08046	0.3
147.11694	0.4
148.05174	0.8
149.05995	1.4
149.09605	0.5
150.06740	0.5
151.03906	100.0
151.04991	8.3
151.07500	7.8
152.04216	2.8
153.05463	1.2
159.08049	5.1
161.06009	2.0
162.06772	1.7
163.03952	0.4
163.07549	6.5
164.08302	1.4
165.05464	0.6
165.09134	2.2
167.07037	1.2
168.00554	0.6
173.05991	0.6
175.07547	0.7
177.05562	0.3
177.09111	6.7
178.09877	3.3
179.07068	1.6
179.08533	0.4
181.08588	0.8
183.08089	0.3
186.01617	0.5
187.07578	2.6
189.09140	0.3
191.07008	1.5
191.10698	1.3
201.05484	0.7
203.10703	0.4
204.07825	0.6
205.06657	0.6
205.08588	6.8
206.08972	0.3
207.08139	0.5
219.06395	0.5
219.10153	2.2
233.09630	0.5
239.10574	0.4
251.10518	0.4
253.08519	0.4
254.09271	0.4
261.09186	0.6
265.08627	0.3
267.10278	0.5
269.08075	0.6
270.08795	0.5
276.11462	0.4
278.09610	0.3
279.09879	0.6
281.07922	0.3
282.08926	0.5
283.09656	0.5
284.10397	0.5
285.11188	0.7
293.08136	0.3
293.11731	0.5
294.12375	0.6
295.09418	0.3
297.11398	0.6
299.12646	0.5
300.06253	1.7
300.09558	0.4
307.09619	0.5
307.13168	0.3
310.12042	0.9
314.11459	0.5
315.12024	0.4
325.07001	1.3
325.10651	0.9
325.14053	2.0
328.05658	0.3
343.08047	3.0
343.11716	2.6
343.15378	5.9
343.19235	0.7
344.12045	0.5
344.15799	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.7
53.82426	1.0
55.01864	6.0
55.05504	1.2
57.03423	2.7
58.97377	0.9
60.20556	0.9
62.13145	0.9
65.03945	3.3
67.05499	6.2
69.07068	1.2
69.62082	5.2
76.28296	0.9
77.03901	1.5
79.05490	15.3
81.07059	3.0
83.08617	2.3
91.05477	50.1
93.07066	3.5
94.04176	1.2
95.04942	7.0
95.08617	2.4
101.03642	1.1
103.05463	63.7
104.05725	2.0
104.06324	1.2
105.04568	1.0
105.07030	30.5
107.04948	34.5
107.05669	1.9
107.08593	2.7
108.05757	1.6
109.06532	5.9
109.10155	1.1
115.05469	5.6
117.07018	3.9
118.04194	1.2
119.04939	55.9
119.08592	1.1
120.05801	4.8
121.06541	6.1
121.10172	1.1
122.03638	1.8
123.04431	1.7
123.08066	8.4
123.11674	1.1
129.07033	1.1
131.04921	15.0
132.05699	2.8
133.06505	9.9
135.04424	2.6
135.08041	35.3
135.09044	1.9
136.05220	1.4
137.05968	54.9
143.08525	1.8
145.06479	1.9
145.07617	1.3
145.10202	1.0
147.04404	33.5
148.05092	2.2
149.05974	18.8
150.03099	1.1
151.03865	1.7
151.07539	22.4
152.07872	1.8
153.05463	8.0
159.08104	1.9
161.05969	2.1
163.03973	3.2
163.07536	52.9
164.08339	34.7
165.05481	16.6
165.09123	6.6
171.08090	1.5
175.07582	1.2
178.06313	3.0
179.07024	100.0
180.07539	6.6
181.05013	1.1
189.09221	2.1
192.07304	1.1
203.10747	1.2
205.06647	1.5
205.08582	26.6
206.08908	1.1
209.06093	1.1
219.10130	8.3
227.06871	1.6
239.10690	1.0
240.23170	3.6
253.08545	1.0
269.08087	1.9
281.08163	1.1
282.08908	2.0
295.09705	3.2
300.10165	1.3
302.11542	3.6
310.08316	1.9
325.10748	11.1
325.14307	1.1
327.08688	1.5
343.11679	12.3
343.15411	7.1
344.11890	1.9
344.15582	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.154
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.8
53.03929	1.0
55.01871	2.9
55.05495	1.6
55.92289	0.5
57.03432	1.7
57.07073	1.3
60.96521	0.5
65.03931	2.1
66.44209	0.5
67.05504	2.9
69.07056	2.1
69.60940	2.1
71.08652	0.6
77.03909	0.7
78.37981	0.5
79.05486	4.9
81.07044	2.2
81.82371	0.4
83.08606	1.4
91.05475	40.9
92.05808	0.9
93.07035	2.2
95.04971	5.7
95.08597	2.0
97.06552	0.7
97.10187	0.9
98.23258	0.7
98.30460	0.5
101.14441	0.5
103.05459	18.9
104.06303	2.5
105.04516	0.8
105.07032	9.4
107.04945	18.3
107.08619	1.2
109.02861	2.5
109.06496	1.0
109.10133	1.6
111.08039	0.5
115.05445	3.7
117.06998	1.4
119.04935	24.9
119.08559	1.2
120.05719	1.6
121.06495	2.7
121.10139	1.1
122.03642	1.0
123.08064	1.4
124.05193	9.2
124.53646	0.5
125.05967	0.9
131.04926	5.7
131.08560	3.4
132.05702	1.5
133.06479	4.5
133.10161	0.7
135.04402	1.4
135.08041	5.8
135.11676	1.2
136.05173	3.4
137.05986	9.3
137.09537	0.6
138.06252	0.6
141.06969	0.7
145.07562	1.1
146.03653	0.7
147.04402	46.8
148.04680	1.4
149.05968	14.1
149.07155	0.7
150.06667	1.2
151.03909	21.3
151.07533	100.0
152.04181	0.8
152.07849	3.4
159.08034	3.9
161.05946	2.0
162.06744	2.3
163.03909	1.5
163.07532	36.4
164.08316	4.6
165.05479	1.3
165.06985	0.6
165.09128	1.2
173.09714	0.7
176.08345	0.7
178.06261	2.0
179.07024	31.4
180.07803	30.0
181.06429	0.5
181.08138	1.1
185.18047	0.5
187.07532	3.6
191.10660	31.2
192.11098	0.9
194.07295	0.6
195.07936	0.6
205.19499	1.1
219.10136	3.9
225.09100	0.6
233.09592	0.6
240.23177	1.3
241.08630	0.9
251.20230	0.6
257.08127	1.0
269.07947	0.7
271.09387	0.8
283.09790	0.7
284.10413	1.8
285.10965	0.7
287.12723	0.7
287.22174	1.4
293.11700	0.7
311.12665	0.6
325.14148	0.9
343.11636	2.7
343.15363	6.3
343.25464	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1537
Annotation	Jamesoniellide D
Peak:m/z	Relative Intensity
53.03942	3.8
55.01854	2.3
55.05494	0.8
57.03432	1.7
59.02057	0.6
61.02923	0.5
65.03942	5.9
67.05489	3.6
69.03425	8.8
69.12878	4.0
69.13284	1.4
71.04987	2.1
73.02933	0.8
79.05489	5.5
81.03416	21.3
81.07051	2.4
82.04181	2.3
83.04939	0.6
85.02897	10.5
91.05476	9.7
93.03397	1.4
93.07030	2.5
94.04176	1.7
95.04961	5.0
97.02884	3.1
97.06512	1.7
98.23425	0.7
99.04438	3.2
100.07597	1.5
102.04666	1.4
103.05458	8.5
105.03402	1.2
105.07021	6.2
106.04162	1.3
107.04956	13.8
107.08577	2.8
108.02061	1.3
109.02877	9.3
109.06516	2.0
110.03677	3.0
111.04471	1.4
115.05463	4.4
116.06262	0.8
117.06985	3.1
119.04931	2.1
119.08572	1.8
121.02876	0.8
121.06516	3.2
121.10163	1.5
122.03628	4.9
122.07285	2.1
123.04436	4.1
125.02334	0.8
125.06001	2.1
127.03910	2.7
129.06998	3.1
130.04189	3.1
131.04913	9.4
131.08543	1.6
132.05707	0.8
133.06450	4.2
133.10095	1.4
135.04375	1.2
135.08026	4.4
137.05968	56.9
138.03104	2.7
138.06291	1.5
140.04669	13.5
141.06947	1.6
142.02614	2.8
145.06493	2.8
145.10104	1.3
146.03612	3.7
147.04411	6.8
147.08026	2.1
149.05969	6.1
149.09569	0.8
151.03923	5.9
151.07516	6.3
153.05446	6.8
155.07065	5.2
157.06477	2.0
158.07234	1.9
159.08008	1.4
160.05147	1.5
161.05975	22.1
162.06738	8.3
163.07541	19.6
164.07973	0.8
165.05449	0.7
165.07004	1.5
165.09108	0.8
166.07669	1.3
167.07054	5.4
167.08368	1.2
169.06467	1.7
171.06491	2.2
173.05994	0.9
173.09544	0.7
174.06723	1.7
175.03917	1.5
175.07539	20.8
176.06302	0.8
176.07922	1.4
177.05446	1.6
177.06879	1.5
177.09131	3.3
178.07745	1.2
179.07039	1.8
179.08516	2.1
181.04947	100.0
182.05292	4.4
187.07478	1.2
189.05458	1.3
189.07274	1.0
189.09045	5.6
190.07751	1.5
191.06972	0.8
193.08595	0.9
194.07243	2.7
195.07999	1.8
199.05977	5.7
201.09091	2.0
202.07846	0.9
203.08543	1.1
205.06506	2.3
205.10165	3.0
207.08014	2.6
209.05997	1.1
209.09508	1.4
211.07516	2.1
218.07211	2.7
219.08127	1.3
219.10178	5.2
221.05980	2.1
221.09561	1.5
222.06760	2.2
222.10303	1.5
223.07518	1.7
224.08331	1.6
225.09174	1.0
233.05980	1.8
233.09604	4.9
234.06682	0.9
234.10196	0.8
235.07445	3.5
236.08220	1.5
237.05396	1.1
237.09111	5.2
238.06270	0.7
239.06862	1.8
239.10580	1.7
241.08597	1.1
247.07555	1.1
249.05409	1.3
249.09149	1.4
250.06219	2.8
250.09909	3.4
251.06989	2.8
251.10518	1.0
252.07846	1.2
253.08540	2.6
254.09377	2.1
261.09058	2.7
263.06998	1.1
264.07687	2.1
265.08594	9.6
265.12204	3.7
266.09146	0.9
267.06683	0.9
267.10098	4.2
268.07138	0.7
269.08057	3.8
269.11819	0.8
271.09772	0.7
278.09396	2.1
279.10159	1.9
281.08148	2.0
282.08838	3.7
283.09421	1.1
283.13232	1.3
284.10367	3.2
293.08401	1.2
293.11667	9.6
294.12305	1.6
295.09744	1.4
296.10376	1.5
297.07806	1.4
297.11203	21.4
297.14517	0.9
298.11426	2.0
299.12735	14.8
300.12762	1.1
307.09631	1.0
310.11871	2.3
311.12741	33.2
312.13098	2.8
313.14160	1.2
315.15881	0.8
325.09155	13.3
325.14261	11.5
326.09369	1.0
326.14691	1.1
343.04578	1.3
343.11572	4.0
343.15353	15.3
344.15714	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.154
Annotation	Jamesoniellide D
Peak:m/z	Relative Intensity
53.03936	1.6
54.90717	0.5
55.01867	2.2
55.05505	0.9
57.03440	1.2
57.79492	0.5
59.05665	0.6
63.02382	0.7
65.03937	3.0
67.05508	4.7
68.99798	0.7
69.03440	1.8
69.07070	1.8
70.92551	0.8
71.04996	1.1
77.03934	0.8
78.89924	0.5
79.05489	5.5
81.03423	1.6
81.07056	5.3
83.08611	0.7
85.02913	2.8
85.06551	5.6
91.04949	0.7
91.05487	12.7
93.03397	2.7
93.07039	4.1
94.04185	2.7
95.04961	4.5
95.08611	4.4
97.02941	0.8
102.04668	0.7
103.05469	44.6
104.05775	1.3
105.07047	5.5
107.04944	6.6
107.08597	5.6
108.02108	2.0
109.02907	0.7
109.06509	4.2
109.10139	1.5
110.03673	0.7
111.04449	2.3
111.11722	2.6
115.05473	5.6
116.06272	1.3
117.03356	0.7
117.07018	7.7
119.04933	6.6
119.08576	2.8
121.06489	4.7
121.10150	2.1
122.03648	5.9
123.04452	2.8
123.08074	1.2
123.11723	0.9
125.05949	3.1
129.07002	2.3
131.04929	26.5
131.08594	6.7
133.06496	2.3
133.10129	1.0
135.04408	2.1
135.08067	5.1
136.01749	0.5
136.05228	2.7
137.05980	74.6
138.06348	1.6
139.07523	1.1
141.05473	2.4
141.07002	2.5
143.04930	2.1
143.08563	2.1
144.05717	1.9
145.02881	0.7
145.06487	24.4
145.10130	2.1
146.03616	1.5
146.07172	1.9
147.04408	6.6
147.08047	1.8
147.11685	1.2
148.05214	5.9
149.05995	8.5
149.09613	1.7
150.06761	1.4
151.03914	100.0
151.05005	8.0
151.07527	32.1
152.04263	3.5
152.07855	1.2
153.05476	4.8
155.04938	0.8
155.08487	0.9
157.06541	0.8
157.10115	0.7
158.07266	2.4
159.08055	13.5
159.11742	1.4
160.05246	1.0
161.05980	52.9
161.13278	1.1
162.06760	9.7
163.03917	1.7
163.07544	36.5
163.11176	1.1
163.14894	0.9
164.04704	0.9
164.08296	4.1
165.05502	1.7
165.06963	1.2
165.09099	3.8
167.07071	7.2
169.06517	2.0
171.11656	1.2
173.06023	1.7
173.09650	2.9
173.13239	1.0
174.06807	1.0
175.07559	7.0
176.08287	2.1
177.05458	0.9
177.09113	13.9
178.09926	3.4
179.07053	5.9
179.08607	1.5
179.10461	0.7
181.04987	1.8
181.06418	0.7
181.08604	1.7
181.10114	1.0
181.15910	0.7
182.07315	0.7
183.11736	1.0
185.13251	1.2
186.06776	1.3
187.07558	5.4
187.14810	1.4
189.05475	0.8
189.09148	2.5
190.07816	1.8
191.03409	7.0
191.07021	4.5
191.08696	1.0
191.10655	10.7
191.14319	0.9
193.08609	10.3
195.08084	0.9
199.14795	1.1
201.05521	2.1
201.09048	3.9
202.09920	1.1
203.10646	0.9
204.07814	19.2
204.09714	1.2
205.08574	9.6
205.10223	1.3
207.08055	2.4
209.09753	0.8
209.13185	0.9
210.06720	1.3
211.07565	1.1
215.08415	0.8
218.07362	2.1
219.08080	1.5
219.10144	35.8
220.10527	1.9
221.06070	0.9
224.08348	1.7
225.09081	1.3
227.06999	0.9
233.09647	4.5
235.07562	3.9
236.08160	0.9
237.09186	1.5
239.06982	1.2
239.10689	2.0
247.07469	1.0
247.16997	1.0
249.05547	0.9
249.09218	1.1
250.09894	1.9
251.07024	0.9
251.10683	1.4
252.07785	1.9
253.08566	2.9
254.09349	1.0
255.13840	2.3
261.09109	5.0
263.07040	1.7
264.07825	0.9
265.08658	1.6
265.12222	4.0
267.10187	7.4
268.10706	0.9
269.08130	2.6
269.11655	0.8
270.08878	0.9
275.10696	1.2
277.08679	0.9
278.09326	1.4
279.10245	2.1
279.21094	3.2
281.08127	1.4
282.08777	0.8
283.09732	1.2
283.13269	1.0
284.10333	3.6
285.11221	2.6
293.11707	10.4
294.12387	2.5
295.09692	1.9
296.10464	2.2
297.11261	1.9
297.22192	1.9
299.12704	3.7
307.09631	1.5
307.13190	0.8
307.19214	0.8
310.11945	3.7
310.80014	0.6
311.12711	1.6
314.11179	0.7
315.12259	1.3
325.10635	2.6
325.14294	16.2
325.21881	2.7
326.14755	1.6
327.94098	0.6
343.08151	1.5
343.11664	5.2
343.15433	24.8
343.21982	1.2
344.12067	1.3
344.15805	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.3
53.82956	2.2
55.01865	9.6
55.05505	3.1
57.03427	2.6
65.03931	5.6
67.05494	5.9
69.03417	4.7
69.64174	8.1
69.64581	5.5
71.04974	2.3
79.05490	16.8
81.03413	10.4
81.07045	4.7
84.25713	2.4
85.02898	3.4
91.05476	60.7
93.07021	9.7
94.04147	3.7
95.04955	8.8
95.08605	4.0
103.05462	64.7
104.05726	2.9
105.07034	32.3
107.04957	44.6
107.08587	12.5
109.02856	4.9
109.06503	8.1
109.10167	2.2
111.04389	3.3
115.05413	10.5
117.07030	7.5
119.04936	57.2
119.08540	2.4
120.05720	4.4
121.06457	13.6
122.03629	2.6
123.04430	5.2
123.08070	8.6
129.07008	3.5
131.04924	26.2
133.02873	2.3
133.06517	11.9
135.04453	2.3
135.08047	63.6
136.05151	2.3
137.02328	2.9
137.05975	72.2
144.05679	2.6
145.06470	6.5
147.04404	35.0
148.05142	3.1
149.05989	33.3
150.06398	2.8
151.03912	28.2
151.07524	31.4
153.05453	10.2
155.04947	4.3
157.06471	3.2
159.08110	4.5
161.05968	7.8
162.06755	6.6
163.03847	3.0
163.07538	59.1
164.08337	47.4
165.05452	15.2
165.06961	5.5
165.09044	7.9
167.07031	4.8
169.06523	3.2
171.07997	2.3
173.05943	7.8
175.07518	5.5
177.05475	3.5
177.09023	2.8
178.09892	13.5
179.07027	100.0
180.07629	7.4
181.04955	9.0
181.06415	3.8
181.08574	6.9
187.07545	4.1
189.05490	2.9
189.09177	2.6
191.07063	4.4
194.07281	2.3
195.08081	3.3
197.06039	4.4
199.07565	2.6
201.05449	10.0
203.10605	2.2
205.08569	30.8
207.08063	2.4
211.07730	3.6
219.08224	2.7
219.10164	8.7
221.06047	2.3
222.06737	2.9
223.07358	3.9
226.06108	3.6
227.07079	2.6
235.07454	3.5
237.09053	4.6
239.07080	2.9
240.07849	2.3
241.08551	4.7
251.06985	3.1
255.10014	3.6
256.07184	2.2
257.08054	6.8
264.07761	2.7
265.08533	7.6
266.09286	2.6
267.09164	2.4
268.07294	2.8
269.08099	6.8
269.11508	2.8
270.08609	3.4
281.08072	2.4
282.08752	5.2
283.09570	6.7
285.07565	7.5
285.11417	2.7
297.07828	4.2
297.11194	8.4
299.09106	5.0
300.09848	3.9
302.11435	4.1
307.09506	5.1
311.08862	8.3
311.12332	9.7
315.12296	5.4
325.10132	11.7
325.14072	5.4
343.11691	46.4
343.15353	10.9
343.18747	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	343.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.3
51.48887	0.2
52.21223	0.2
53.03939	0.7
55.01868	0.9
57.03426	0.4
65.03937	2.2
67.05502	2.3
71.01319	0.3
77.03911	0.5
79.05482	1.6
80.02610	0.3
81.07044	0.4
85.02889	0.3
91.05474	4.5
93.07037	0.4
95.04968	1.2
95.08596	0.3
103.04506	0.2
103.04693	0.3
103.05457	5.3
104.05738	0.3
105.04516	0.4
105.07024	2.8
107.04950	2.8
108.02090	3.0
109.02930	0.3
109.06477	0.3
111.04435	0.4
112.01598	0.3
115.05435	0.7
117.07066	0.3
119.04939	4.9
121.03993	0.3
121.06499	0.8
122.03576	0.3
122.76248	0.3
123.04439	0.5
123.08056	0.8
131.04906	1.3
133.06477	0.7
135.04372	0.4
135.08035	3.3
136.01555	0.5
137.05977	5.4
141.05446	2.0
143.08470	0.3
147.04395	3.4
149.06007	2.2
151.03903	100.0
151.04994	8.4
151.07410	2.6
152.04247	3.5
152.05357	0.5
153.05441	0.5
159.08067	1.0
161.05965	0.4
163.03888	0.4
163.07532	5.0
164.08316	3.7
165.05498	1.8
165.09108	0.6
177.05397	0.4
178.06401	0.3
179.07024	9.2
179.13884	0.2
180.07649	0.8
189.09012	0.3
191.06923	0.3
191.10583	0.6
205.08615	2.9
219.10214	2.0
256.06934	0.3
267.06473	1.2
283.06021	0.3
284.06921	0.4
297.11282	0.6
302.11578	0.5
311.12640	0.5
325.07010	0.7
325.10648	0.7
325.14124	0.4
343.08093	3.1
343.11600	0.4
343.15140	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03887	1.9
55.01816	1.2
55.05443	2.9
55.05692	1.1
57.03399	0.9
57.07005	7.7
57.07306	0.8
57.29609	0.7
62.06016	2.6
65.03883	1.6
67.05431	13.6
67.05821	0.8
69.03355	3.8
69.06995	4.4
71.04917	1.8
71.08553	2.6
71.32340	1.4
72.08120	1.1
77.03867	0.7
79.05482	9.5
81.07053	10.7
83.01338	10.6
83.08573	1.2
85.10107	0.8
88.07524	0.7
91.05476	25.0
93.07040	15.3
95.04897	2.7
95.08602	31.8
97.06465	1.5
97.10122	1.6
103.05379	2.2
105.07021	22.1
106.07307	1.2
107.08590	18.0
109.06461	1.3
109.10157	18.2
113.05928	2.2
115.05398	1.5
116.06200	1.7
117.06941	2.6
119.04894	1.7
119.05988	0.6
119.08591	4.4
121.06505	9.7
121.10136	8.1
123.04356	1.1
123.08070	1.4
123.11667	1.9
125.09554	0.8
125.86625	0.7
128.06168	1.0
129.06923	2.7
131.04846	0.9
131.08565	8.0
133.06490	1.4
133.09207	1.2
133.10126	18.5
134.07144	0.8
135.04355	2.5
135.08051	11.6
135.11644	3.4
137.05922	2.1
137.13220	1.0
141.05325	0.8
141.06938	1.3
142.07741	1.0
143.08508	2.0
144.05655	0.9
145.06424	3.1
145.10066	2.0
146.07205	1.2
146.70338	0.6
147.04379	1.5
147.08000	1.5
147.11627	1.4
149.05992	3.2
149.09595	10.5
149.13240	1.6
150.93803	0.6
151.03896	12.9
151.05028	1.0
151.07458	1.6
153.05397	2.5
155.08510	0.8
157.10094	1.5
159.08058	10.7
159.11635	1.1
160.08720	0.7
161.05884	2.9
161.09598	3.8
161.13094	0.8
162.05403	0.7
162.06747	12.8
163.03874	1.0
163.07530	17.1
163.14775	1.4
165.05464	1.0
165.08978	0.9
167.07080	0.7
167.27205	0.6
171.07927	1.6
173.09540	1.8
174.06712	1.1
174.18477	2.3
175.07564	3.3
175.11160	1.4
176.08322	1.2
177.05473	1.9
177.09114	25.4
177.12766	0.7
177.16235	0.8
178.06183	0.7
179.03448	1.2
179.07031	0.9
181.08586	2.7
185.09612	1.5
185.13232	0.9
187.07558	8.4
187.14638	0.7
188.08212	2.0
189.09079	9.3
190.06255	1.9
191.07028	6.2
191.10573	1.2
192.07802	8.0
193.08525	2.0
197.09473	0.7
199.11156	0.9
201.09094	2.9
201.16388	1.1
203.07024	1.3
203.10643	3.6
204.07755	0.9
205.08594	100.0
206.08948	4.6
207.10104	2.0
212.23792	0.7
213.09045	2.0
214.06154	1.2
216.07857	1.5
217.08592	4.5
217.12389	0.6
219.10118	3.2
221.08061	0.9
223.09634	95.7
224.09956	4.3
227.10663	0.9
229.08589	26.7
230.08966	1.3
230.24782	3.1
231.10156	12.2
233.11705	1.2
233.22563	1.5
235.09639	8.3
237.11205	2.3
240.23178	2.4
241.08693	0.9
241.12283	1.1
243.10211	2.2
247.09645	21.3
248.10007	1.9
249.11185	18.1
250.11607	1.5
251.12909	1.0
255.10173	2.0
255.13960	1.3
257.08023	1.4
257.11789	0.9
261.11353	1.1
267.06573	1.1
267.09879	1.0
269.11789	2.0
273.11292	1.4
273.14890	2.0
275.12885	1.2
283.13330	3.8
285.07639	2.4
286.31039	1.6
287.12756	1.4
287.31400	0.9
297.07629	0.9
297.14960	1.4
299.09146	3.0
300.10040	1.2
301.14285	3.7
310.08322	1.5
311.09045	0.9
313.07019	1.9
315.16025	1.5
325.10733	2.4
325.14429	0.8
325.17947	21.0
326.18369	1.9
327.08606	6.3
328.09360	10.7
328.12881	0.9
342.37292	42.7
343.07645	1.1
343.11899	27.8
343.18982	48.8
343.26251	1.7
343.30203	1.9
343.37589	24.7
343.41525	1.3
344.12128	2.8
344.19302	4.8
350.16617	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32309	0.8
53.03939	1.7
55.01865	2.6
55.03165	0.8
55.05507	3.5
57.07091	5.1
58.06590	1.4
65.03934	1.6
67.05505	14.3
69.07078	6.9
69.80777	3.8
71.08634	2.8
77.03942	0.9
79.05493	22.6
80.72070	0.9
80.76811	0.9
81.07060	34.4
83.08611	1.6
85.02906	0.9
85.10175	2.0
91.05476	3.5
93.07045	6.1
95.04966	2.6
95.08611	55.8
96.08910	1.3
97.06514	1.0
97.10175	1.7
101.02369	2.8
103.05472	3.4
105.07033	25.2
106.07390	1.3
107.04971	1.3
107.08587	2.2
108.02084	1.6
109.06509	0.9
109.10162	3.6
111.11719	1.0
114.53651	0.8
115.05453	0.9
119.08604	1.3
121.06490	1.3
121.10151	2.9
123.08071	100.0
124.08388	1.7
129.06958	1.1
131.04912	2.9
131.08545	1.2
133.06505	6.5
135.04411	1.5
135.08073	1.1
137.05974	5.7
139.11169	6.0
140.23624	0.8
141.05464	1.3
141.07332	0.8
141.09102	20.3
142.09451	1.1
145.06517	2.4
147.04428	2.0
149.05977	1.7
151.03915	65.0
151.05003	5.2
151.07538	39.2
152.04268	3.0
152.07869	1.6
157.12311	1.3
159.08052	1.7
161.05995	2.9
163.07568	2.6
169.08589	11.4
177.09088	1.7
179.07042	1.3
183.17432	1.5
187.09665	28.0
191.07138	1.3
191.10655	1.1
193.01358	1.2
204.07724	1.3
205.08592	2.2
219.10228	3.2
240.23224	55.5
241.23526	3.3
267.10355	1.1
269.07889	0.9
284.10587	1.1
307.19019	1.3
325.07169	5.1
343.12015	4.7
343.15369	2.8
343.21317	9.4
344.05527	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.211
Annotation	2,3-Dkpgf1alpha
Peak:m/z	Relative Intensity
53.03937	2.7
55.01870	7.9
55.05508	31.1
57.03410	2.1
57.07053	2.1
67.05505	48.1
69.03419	8.5
69.07051	6.2
70.14744	5.0
71.04984	8.6
79.05494	28.7
81.07051	18.5
83.04971	4.9
83.08617	14.1
85.02909	1.5
85.06528	1.8
91.05471	23.5
93.07037	24.9
95.04987	2.4
95.08598	47.9
96.08908	1.7
97.10166	33.2
99.04465	1.9
105.04555	1.8
105.07024	4.6
107.04935	2.6
107.08588	21.1
109.06499	2.5
109.10155	31.0
111.08079	13.1
115.05449	1.7
117.06995	4.9
119.08567	43.4
119.98959	1.7
121.10107	1.8
125.09627	36.3
126.76687	1.7
131.04912	1.8
135.08046	8.9
137.05984	7.3
137.09612	100.0
138.09943	4.0
143.10611	1.9
145.10130	1.9
149.06009	1.8
151.03896	5.3
151.07503	2.0
153.09099	54.3
155.10663	54.1
156.10989	2.9
161.05931	3.7
163.07462	1.8
168.35222	1.5
171.10164	5.7
173.11678	7.9
181.21658	1.7
189.11220	31.3
196.14783	1.7
203.57953	1.8
211.07562	2.2
240.23253	7.1
257.08032	2.8
283.09601	2.5
285.07520	2.9
300.09790	3.0
307.18967	6.3
311.08914	2.6
343.11859	23.7
343.15317	3.3
343.16772	2.5
343.21152	47.3
344.21515	4.0
344.31277	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.2
55.01864	2.1
55.05511	8.5
57.03431	1.1
57.07073	0.7
59.04974	0.6
65.03940	1.8
65.74586	0.5
67.05160	1.0
67.05508	14.1
68.99802	0.7
69.03424	2.3
69.07062	4.7
69.48458	2.6
71.04993	7.4
77.03912	0.7
79.05492	6.6
81.03437	0.7
81.07059	5.8
83.04977	1.3
83.08618	4.6
85.02888	0.9
85.06563	0.6
86.06066	0.8
91.05479	16.6
93.07048	10.1
95.04961	3.4
95.08605	9.8
97.06522	0.7
97.10175	8.2
103.05479	6.3
105.07044	2.8
107.04972	2.0
107.08591	6.3
108.02089	2.5
109.02928	0.5
109.06533	1.9
109.10152	6.9
111.04403	0.7
111.08101	4.9
115.05470	1.6
117.07013	2.6
119.04935	1.5
119.08582	19.0
120.08900	1.1
121.06507	2.3
121.10152	2.4
122.03648	1.0
123.04460	1.0
123.08112	0.6
124.11238	1.3
125.06013	0.6
125.09632	8.7
129.06984	1.2
131.04950	4.1
131.08542	2.6
133.06480	1.5
133.10109	1.2
135.04437	2.0
135.08067	4.0
136.05249	0.5
137.05977	12.8
137.09612	31.8
138.09912	1.2
139.07520	0.6
139.11177	1.8
141.05475	1.9
141.07028	1.1
142.12277	0.8
143.05000	0.6
145.06508	3.9
145.10176	0.8
146.03639	0.6
147.04430	1.8
147.07947	0.5
148.05269	0.6
149.02216	0.5
149.05983	2.3
151.03912	100.0
151.05008	8.7
151.07500	7.1
152.04295	3.5
152.10675	0.6
153.05499	0.9
153.06996	0.7
153.09120	3.9
155.08603	1.0
155.10674	13.7
156.13885	1.6
159.08035	4.0
161.05989	7.0
162.06746	1.7
163.03896	1.3
163.07542	5.4
164.08299	1.9
165.05579	0.6
165.07011	1.6
166.07661	0.5
167.07062	2.9
167.08459	1.1
169.06474	1.0
170.11774	12.7
171.10158	1.0
171.11694	0.7
173.05951	1.3
173.09741	0.7
173.11768	0.8
174.06743	0.6
175.07549	3.0
176.08286	0.7
177.05544	1.1
177.09056	3.1
179.03442	0.5
179.07033	2.4
179.08482	0.7
180.07700	0.5
180.09328	0.7
181.06499	0.8
181.10074	0.9
183.11642	0.9
187.07539	1.8
189.09370	0.8
189.11237	7.3
190.11604	0.6
191.07025	2.1
191.10654	1.9
193.01375	0.7
193.04910	0.6
194.07181	0.8
195.08037	1.1
195.11703	0.8
201.05536	0.8
201.09108	1.3
204.07806	2.1
205.08554	2.7
207.08075	0.7
209.09627	2.7
211.07655	1.9
213.09132	0.6
218.07245	0.9
219.06424	0.7
219.10123	6.0
221.09648	0.8
222.06586	0.6
223.07729	0.6
223.11333	0.7
224.08195	0.9
225.09198	1.0
227.06949	1.1
227.10867	0.5
233.05911	0.6
233.09567	1.8
235.07629	0.9
236.08289	0.7
237.09193	1.2
239.06989	1.2
239.10628	1.2
240.07626	0.9
241.08597	1.4
241.12331	0.6
243.10152	0.6
244.63773	0.6
245.13943	0.7
247.07506	0.6
250.09920	0.8
251.07079	1.3
251.10707	1.8
253.08627	1.3
254.09442	1.9
254.82506	0.5
255.10043	1.3
255.13889	1.1
257.08148	1.5
261.09094	1.6
265.08569	1.6
265.12158	1.7
267.06519	0.9
267.10208	2.0
269.08173	1.5
269.11710	2.5
270.08859	1.0
271.09555	0.8
273.15131	0.5
279.10214	1.3
282.08923	1.3
283.09821	1.3
283.13290	5.1
284.10370	1.4
284.13538	0.6
285.07587	0.7
289.17920	1.1
293.11862	2.5
294.12433	0.8
297.11255	5.2
299.09320	0.5
299.12430	1.1
300.09967	1.2
301.10577	0.8
307.09723	0.9
307.19022	3.4
310.08524	0.5
310.11948	1.1
311.09396	0.9
311.12668	3.1
315.12314	0.8
325.07388	4.1
325.10681	1.9
325.14227	4.9
325.17877	0.9
326.14603	0.6
326.23294	4.6
329.14331	0.7
343.08109	4.0
343.11731	8.0
343.15402	8.0
343.19089	2.3
343.22668	1.0
343.26407	0.9
344.08444	0.9
344.12088	0.9
344.15704	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	19.5
56.83570	1.7
57.03437	4.0
57.07076	5.5
59.04997	14.2
59.55692	1.9
67.05502	29.7
69.07060	13.1
69.21269	17.0
69.36818	1.7
70.06582	2.7
71.04998	15.0
79.05480	13.3
81.07059	79.8
82.07391	2.6
83.04989	3.0
83.08618	26.5
85.06541	4.4
87.04472	14.9
91.05478	14.2
93.07049	30.3
95.04974	7.5
95.08601	21.4
97.06524	3.6
97.10168	7.8
105.07015	12.4
107.08588	13.8
109.06537	2.0
109.10164	14.8
111.04412	2.2
111.08082	7.6
114.96770	2.0
117.06979	2.4
119.08588	4.1
120.79842	1.8
121.10153	7.5
123.08099	6.0
123.11706	97.3
124.12067	3.2
127.11208	3.2
130.31113	1.8
133.10129	36.3
137.06036	2.6
139.11172	6.1
141.09196	1.9
141.12767	7.9
145.10133	6.3
147.08043	3.5
147.11667	2.1
151.03889	2.4
151.07535	3.5
151.11137	12.7
153.09029	2.0
155.08545	1.9
161.79158	2.1
163.07520	3.2
163.11198	4.6
165.05553	3.8
165.09161	2.6
169.12244	11.8
187.13298	100.0
188.13693	3.5
189.16354	2.6
194.09428	3.7
221.15526	2.3
240.23215	4.0
257.08273	2.3
267.25745	2.0
279.23242	2.9
283.13269	2.2
284.29498	5.3
285.07498	2.2
307.22690	6.5
313.07077	2.3
325.23853	2.2
328.09253	7.2
343.11685	12.5
343.15524	6.1
343.22729	8.3
344.31522	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	343.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.5
55.01876	4.3
55.05253	3.2
55.05511	53.8
55.05774	3.0
57.03435	31.3
57.06806	2.7
57.07076	39.1
59.04995	3.9
64.70325	1.4
65.03901	1.5
67.05502	62.8
69.03424	3.3
69.07066	83.0
69.63892	9.1
70.07406	2.9
71.04997	8.2
71.08630	18.6
73.06550	3.8
78.37792	1.7
79.05491	31.4
81.07053	76.5
82.07391	2.9
83.04990	10.6
83.08615	61.6
84.08923	2.4
85.06528	3.5
85.10182	10.6
86.12738	1.4
87.08109	1.5
91.05473	16.5
93.07040	44.3
94.07355	1.9
95.04951	4.1
95.08601	68.6
97.06519	25.2
97.10160	31.5
99.08083	3.5
101.06014	4.0
101.09610	1.9
103.05450	2.1
105.07015	9.7
107.04946	26.8
107.08584	36.8
108.08924	1.7
109.06513	2.8
109.10151	39.6
111.08068	18.8
111.11710	8.2
113.11089	1.7
115.05441	3.1
115.07584	4.7
119.04943	1.9
119.08578	9.2
121.10136	36.0
123.08047	5.1
123.11691	19.3
125.09631	13.3
125.13272	3.0
129.09081	2.7
131.08585	5.2
133.10132	11.9
135.08031	4.6
135.10631	1.6
135.11688	34.1
136.12120	1.5
137.05991	5.9
137.09590	7.1
137.13240	4.1
139.11169	13.3
141.06921	2.0
143.10684	3.8
145.10124	4.7
147.04404	5.8
147.11702	3.9
149.05951	3.4
149.13274	21.7
151.03902	11.9
151.07498	11.4
151.11177	5.0
153.12714	11.6
155.10712	4.0
157.12228	2.2
159.08015	1.8
159.11732	2.9
163.07562	27.3
163.14806	7.1
164.08345	7.1
165.12772	2.0
167.07118	1.6
167.14262	8.4
169.12279	1.8
171.13791	3.2
173.11798	4.1
173.13231	3.3
179.07057	4.0
180.07829	4.1
181.15886	3.5
190.07690	1.8
191.10667	5.8
195.08084	3.3
199.07495	2.9
205.19518	30.7
211.07637	2.0
212.08293	2.6
215.17973	6.8
219.10138	3.5
223.20537	25.1
227.10759	1.9
233.18993	5.1
240.23236	6.4
240.43199	1.7
241.21567	2.6
251.10634	2.8
251.20035	13.0
255.10178	3.4
259.09729	3.3
269.21094	4.6
271.09766	3.1
287.12717	4.5
287.22150	76.9
288.22580	5.5
311.12622	2.8
325.23822	12.3
343.07846	2.3
343.11670	5.8
343.15427	19.4
343.24799	100.0
344.25095	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	343.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.8
55.01873	4.1
55.05507	21.4
57.03423	1.9
57.07051	3.1
65.03941	5.1
67.05502	79.5
69.07069	21.2
71.04996	12.8
71.32687	1.4
71.33105	1.7
75.66844	1.8
79.05491	32.6
81.03416	5.1
81.07053	100.0
82.07391	2.3
83.04979	3.4
83.08614	16.1
85.02889	2.5
85.06555	9.2
87.04491	1.4
91.05480	22.5
93.07043	30.2
95.04967	5.7
95.08604	79.6
96.08958	2.6
97.06518	5.9
97.10179	10.2
99.04430	1.4
99.08080	3.6
103.05463	28.8
105.04567	1.6
105.07040	16.3
107.04942	8.7
107.08587	25.8
107.09238	2.3
109.02905	1.8
109.06512	3.8
109.10155	35.5
111.08085	6.1
115.05433	2.1
117.07018	6.6
119.04915	2.6
119.08586	10.8
121.06503	4.8
121.10136	21.3
123.08067	4.4
123.11689	15.1
125.09650	2.8
129.07005	2.2
131.04935	15.9
131.08551	7.4
133.02811	2.0
133.06535	2.4
133.10144	10.5
135.04424	4.3
135.08043	23.7
135.11670	12.4
137.05965	23.4
137.09586	2.6
137.13257	7.2
145.06537	3.1
145.10104	7.4
147.04402	5.0
147.11682	10.5
149.05951	7.8
149.09608	2.7
149.13223	5.2
151.03918	48.5
151.05038	3.9
151.07523	5.1
151.11244	2.8
153.05440	3.8
153.09096	2.4
159.08084	2.1
159.11703	4.1
161.05959	5.6
161.09631	1.7
161.13245	9.6
163.03902	6.2
163.07538	19.3
163.14784	1.8
164.08325	24.8
165.06985	1.9
165.08891	2.0
165.12779	3.2
167.07021	2.5
170.09875	1.5
173.06036	2.2
173.13223	2.5
175.07558	2.8
175.14769	2.0
177.05490	2.5
177.06946	1.9
177.12737	1.8
177.16400	2.1
179.07030	2.8
179.14336	5.5
180.07692	2.0
181.05031	7.8
181.06435	2.9
181.08601	5.2
187.03909	1.8
187.14796	3.6
189.09103	4.7
191.07028	1.9
191.10689	2.3
195.08069	3.3
197.06009	2.6
201.05484	4.3
201.16495	2.3
211.07481	2.8
212.07971	1.6
221.84650	1.9
222.06642	2.2
235.07513	2.6
237.09111	2.0
237.18436	1.5
239.07094	3.8
243.21048	4.8
250.06070	1.7
257.08084	4.1
259.09821	2.0
261.22162	10.1
264.07504	2.4
265.08627	3.5
267.06354	1.8
268.07089	2.5
271.09711	2.7
279.06577	1.9
279.23212	11.1
280.23813	2.0
282.08832	1.7
283.09692	1.7
285.07578	1.8
292.07309	1.8
297.11288	2.7
297.14828	2.1
300.09656	2.5
307.09659	9.6
311.09283	3.0
311.12839	4.5
315.12018	1.9
325.10400	10.5
343.11673	19.9
343.15445	7.9
343.19150	2.0
343.23230	2.0
344.12222	3.2
344.24350	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	7.2
55.05503	29.6
57.50186	4.6
65.03947	5.1
67.05505	83.6
69.07050	23.8
69.27077	31.5
71.04989	12.7
79.05503	29.3
81.07056	100.0
81.12577	4.6
83.04984	5.7
83.08612	17.7
84.78920	4.2
85.06535	9.0
91.05468	23.1
93.07048	31.8
95.08603	84.6
97.06525	9.4
97.10156	6.4
99.08075	5.3
99.30376	4.3
105.07034	18.1
107.04982	8.4
107.08591	30.6
109.06507	5.4
109.10138	43.3
117.07021	6.1
119.08577	16.3
121.10162	20.3
123.08092	9.0
123.11723	16.9
125.06016	4.5
131.04921	7.4
131.08554	7.0
133.10126	12.3
135.08018	5.7
135.11708	15.0
137.06013	12.1
137.09558	5.7
143.08565	6.2
145.10130	13.3
147.04585	4.7
147.08018	5.0
147.11719	12.2
149.05960	5.4
149.13322	8.0
151.03915	10.1
151.07559	6.9
157.10236	5.7
159.08121	5.3
159.11742	6.4
161.06017	8.1
161.13315	13.0
163.07462	5.7
165.07034	7.3
165.12733	5.3
167.07085	4.6
167.08493	5.2
171.11731	5.8
173.13347	5.8
175.07533	4.7
181.06583	7.1
187.14838	5.7
189.09073	6.7
195.07997	5.2
197.06030	6.2
223.07608	7.7
239.07050	4.5
240.07822	4.9
243.21104	5.3
257.08072	12.4
261.22156	11.4
269.08112	6.6
279.23340	8.9
283.09601	10.2
283.16980	5.7
285.07562	9.3
287.12610	5.2
300.10001	12.8
311.09299	5.0
311.12759	5.4
313.06958	5.3
325.10544	7.0
343.11743	61.5
343.15430	14.6
343.22751	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.0
55.93527	1.0
57.03431	1.4
61.02918	1.6
65.08115	0.5
65.70797	0.5
69.03426	4.3
69.49136	0.5
69.49464	3.6
71.05025	0.6
73.02917	1.2
81.03413	2.3
85.02908	17.2
89.06023	0.7
91.05477	6.9
97.02899	4.7
98.23281	1.0
99.04449	0.8
109.02868	1.9
116.07093	0.8
119.04941	19.5
123.04427	4.4
127.03931	3.7
131.04897	0.6
137.06073	1.2
139.03880	0.6
145.04932	3.4
147.04402	100.0
148.04733	4.6
154.91765	0.6
165.05473	52.3
166.05815	1.6
179.56290	0.6
180.08664	1.4
181.04910	1.5
182.05312	2.3
188.03806	1.1
191.07082	0.8
194.97391	4.3
212.98357	3.0
230.08107	0.8
235.57668	0.6
237.95595	1.8
299.01868	2.9
301.03268	0.8
313.10593	1.0
314.99564	1.6
327.01324	1.5
343.99811	3.1
345.02698	2.8
359.51520	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56888	0.6
56.27019	0.7
57.03429	1.0
61.02920	1.7
65.03937	1.1
69.03428	3.9
69.73185	3.3
77.95206	0.6
81.03407	1.1
85.02903	17.0
91.05473	5.1
95.45367	0.6
97.02899	3.2
109.02874	1.2
114.36579	0.6
119.04934	16.2
120.05267	0.8
123.04389	2.9
127.03921	2.9
131.04912	0.7
145.04965	3.6
147.04398	100.0
148.04752	3.0
162.92653	0.6
165.05469	48.3
166.05792	1.7
171.04289	0.8
180.08774	0.9
181.04875	1.1
182.05229	1.5
182.08051	0.7
188.03751	0.7
191.07082	0.8
199.03838	1.0
201.76207	0.6
203.42813	0.6
206.85089	0.6
299.01950	1.5
313.10800	1.7
344.13922	0.8
345.02374	2.8
359.98172	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.0
55.93527	1.0
57.03431	1.4
61.02918	1.6
65.08115	0.5
65.70797	0.5
69.03426	4.3
69.49136	0.5
69.49464	3.6
71.05025	0.6
73.02917	1.2
81.03413	2.3
85.02908	17.2
89.06023	0.7
91.05477	6.9
97.02899	4.7
98.23281	1.0
99.04449	0.8
109.02868	1.9
116.07093	0.8
119.04941	19.5
123.04427	4.4
127.03931	3.7
131.04897	0.6
137.06073	1.2
139.03880	0.6
145.04932	3.4
147.04402	100.0
148.04733	4.6
154.91765	0.6
165.05473	52.3
166.05815	1.6
179.56290	0.6
180.08664	1.4
181.04910	1.5
182.05312	2.3
188.03806	1.1
191.07082	0.8
194.97391	4.3
212.98357	3.0
230.08107	0.8
235.57668	0.6
237.95595	1.8
299.01868	2.9
301.03268	0.8
313.10593	1.0
314.99564	1.6
327.01324	1.5
343.99811	3.1
345.02698	2.8
359.51520	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93673	0.1
53.03936	0.4
55.01862	0.7
55.05507	0.3
55.49941	0.2
57.03431	0.3
62.66979	0.1
67.05486	0.5
69.11890	1.4
71.04978	0.2
73.31479	0.1
75.93310	0.1
79.05502	2.1
81.07051	7.1
82.07401	0.2
83.01341	0.2
83.04984	0.2
83.08607	0.2
85.06535	0.9
91.05473	6.6
91.06046	0.4
93.07026	0.3
95.01302	0.2
95.08594	0.3
98.22579	0.3
99.08093	0.2
103.05435	1.3
105.06999	0.4
107.04984	0.2
107.08612	0.4
109.06511	3.8
109.10143	0.2
110.85161	0.2
112.03909	0.2
115.05444	1.4
117.05746	0.5
117.07020	0.2
118.06548	1.2
119.08605	0.2
121.06528	0.3
121.10146	0.2
127.05420	0.2
127.07532	2.3
129.06984	0.4
130.05635	0.3
130.06514	3.9
131.04971	0.2
131.06898	0.2
132.08078	4.5
135.08011	0.6
137.05959	0.3
143.04887	0.2
144.08044	1.0
145.06454	0.4
146.05995	2.2
151.03961	0.2
158.06017	0.6
163.07439	0.2
171.04416	0.5
172.07558	1.4
173.06003	0.2
188.07059	2.8
189.07376	0.2
200.07048	100.0
201.07385	5.5
202.08591	0.2
203.17960	0.2
212.07103	0.3
214.08554	0.3
218.08122	2.4
226.08691	0.2
238.08389	0.2
254.11766	1.5
270.08865	0.2
280.13235	1.0
298.14337	2.5
308.12546	0.8
313.10678	0.4
326.13855	6.1
327.14081	0.4
344.11505	0.3
344.15121	0.4
344.31339	0.2
345.24280	0.3
353.43951	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	1.2
57.03441	1.4
58.83234	1.0
59.05001	67.1
60.05357	1.2
69.03429	4.6
70.06590	2.0
70.55907	1.4
70.56236	1.8
77.06057	2.7
77.92213	1.0
77.93398	0.9
81.03414	2.2
85.02905	16.2
89.06033	21.6
89.06550	2.2
91.15565	1.0
97.02904	5.1
101.06064	1.4
103.07584	70.0
107.06087	1.3
109.02866	1.6
119.04903	1.4
122.06045	1.7
122.73373	1.1
125.82487	1.1
127.03919	3.2
132.04485	1.8
133.08598	10.4
137.05995	3.6
145.04999	3.4
147.04405	5.5
164.07086	9.8
165.05490	3.1
165.11229	100.0
166.11617	3.0
170.81573	1.3
182.11740	1.3
183.06429	1.3
242.70392	1.1
299.01990	1.7
300.17450	3.2
301.03336	1.8
326.12589	1.3
344.13455	9.5
344.17004	4.6
345.02518	4.9
345.15381	45.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.2
55.01876	4.4
55.05509	33.9
57.03436	5.0
65.03945	5.9
67.05166	4.2
67.05503	43.7
69.03426	7.3
69.07071	15.2
70.23420	4.2
70.23798	4.5
71.04981	3.4
79.05496	27.1
81.03416	5.1
81.07053	26.4
83.04973	5.3
83.08621	16.6
85.06507	2.7
91.05478	32.7
93.03398	7.6
93.07042	21.4
94.04206	2.7
94.16740	2.1
95.04987	11.2
95.08615	18.7
97.06510	2.7
97.10167	26.4
103.05477	5.4
105.07034	37.3
106.07370	2.6
107.04948	6.1
107.08595	27.8
109.06520	7.4
109.10139	12.4
111.04446	6.9
111.72437	2.1
116.51147	2.3
117.07014	7.3
119.04964	5.0
119.08593	9.2
121.06502	4.0
121.10134	7.0
122.03657	5.6
123.08091	8.4
125.05972	11.7
125.09633	23.7
128.06244	2.5
129.07004	4.6
131.08559	6.9
133.06516	18.3
133.10104	4.6
135.08032	2.4
137.05981	100.0
137.09576	10.9
138.06317	4.0
143.08582	3.8
145.06465	5.2
145.10159	3.6
147.04431	8.0
147.11671	2.8
149.09605	3.3
151.03905	68.8
151.04988	5.9
151.07529	21.3
152.04230	12.4
153.05453	16.1
157.10141	3.2
161.05957	8.6
162.04951	2.3
162.06676	5.0
163.07513	2.7
165.09100	26.1
167.07065	2.4
171.08061	5.6
171.10133	3.4
173.11694	7.7
175.07562	6.0
179.07027	3.1
188.08284	2.2
189.11226	32.5
191.10732	2.7
192.11043	2.4
193.08571	18.9
203.10660	11.4
221.08104	4.3
221.11694	30.6
223.13307	4.3
231.13814	2.9
232.14102	4.5
235.61734	2.2
275.20096	18.7
326.11121	4.6
326.18158	2.8
330.07343	4.9
344.12045	10.5
344.19211	6.3
344.23593	2.9
345.09702	6.6
345.13342	4.9
345.16983	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	344.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.0
55.05508	29.4
57.07072	4.6
57.87386	1.1
58.06601	1.8
67.05497	17.3
69.03439	5.7
69.07064	32.9
69.49933	4.6
69.50362	2.8
69.88338	1.0
71.04980	1.8
71.08622	1.6
72.10378	1.2
79.05495	21.7
81.07059	22.2
82.06608	1.3
83.04964	6.9
83.08615	20.0
86.06089	3.8
91.05478	3.4
93.07037	20.2
95.04949	1.3
95.08600	11.7
97.06529	9.1
97.10162	50.9
98.23357	1.1
100.07617	5.0
103.05461	1.2
105.07045	2.0
107.08591	22.1
108.08902	1.5
109.06529	1.5
109.10149	4.8
111.08054	1.8
111.11710	6.0
114.12776	2.4
117.07027	1.5
121.10139	17.6
121.10958	1.7
124.11220	12.2
125.09622	32.4
130.15535	1.4
131.04950	1.8
131.08580	1.3
135.08052	8.9
137.06001	1.5
137.09628	1.9
138.12776	5.5
139.11169	37.4
140.11519	1.4
142.12273	5.0
143.10669	2.8
149.43887	1.0
152.10735	4.6
153.09091	24.9
156.13829	31.9
157.12259	5.7
157.14178	1.4
165.09064	1.2
170.11752	100.0
171.10193	4.3
171.12064	4.2
174.14897	32.4
188.12814	1.2
189.11205	31.5
191.07042	2.2
193.31900	1.5
195.07870	1.0
201.89252	1.1
211.07423	1.3
228.07469	1.3
239.07289	1.1
253.08710	1.6
258.29626	1.5
269.19052	1.1
282.42899	1.2
285.11365	1.8
290.21140	2.9
291.19504	2.3
308.22226	1.7
309.20496	3.1
313.10876	6.4
326.23233	69.8
327.23587	5.3
344.12036	4.5
345.06274	1.5
345.13373	3.5
348.53482	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30627	0.7
52.64621	0.7
56.05037	10.4
57.07077	11.6
67.05479	1.6
67.39149	0.8
69.07066	1.4
70.06596	1.6
71.08630	7.3
72.33838	0.7
73.25188	0.7
74.06078	26.6
76.79053	0.6
79.05467	1.1
81.07033	2.1
83.08586	0.7
84.78134	0.7
85.10164	2.3
88.07627	62.2
89.05986	0.6
91.05502	1.3
93.06994	0.8
95.08580	1.6
102.05525	4.2
106.08653	2.1
107.08601	0.9
109.10145	1.0
116.07063	0.9
119.08614	1.0
120.06557	4.7
123.11721	0.8
167.07161	0.8
195.95944	0.7
259.20645	0.8
298.31024	17.0
326.30447	1.8
326.54318	0.8
344.31573	100.0
344.34830	4.8
345.31821	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	345.024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03909	0.4
53.17714	0.3
55.01848	0.3
60.04499	0.5
61.02872	0.3
63.15074	0.3
65.03912	0.3
67.00829	0.3
67.05482	0.6
68.99744	0.5
69.03396	0.5
69.07085	0.3
69.41584	1.1
69.41993	0.8
72.08115	0.5
74.70895	0.3
79.05444	0.9
80.47396	0.3
81.03390	0.5
81.07021	0.5
83.04943	0.4
85.02860	1.0
91.05430	1.3
93.07027	0.6
94.06527	0.3
95.04907	0.4
95.08583	0.4
97.02832	0.5
97.06489	0.4
97.51892	0.2
98.23321	0.5
103.05463	2.7
105.06966	0.9
107.04912	0.6
107.08580	0.7
112.02132	0.3
115.05451	7.2
119.04876	0.7
121.02836	1.0
121.06503	0.3
123.04360	0.5
127.03909	0.4
127.05367	0.7
129.03348	0.3
130.04062	0.4
131.04929	5.1
133.06439	1.2
135.04410	0.4
137.05962	2.2
137.09570	0.5
139.03816	0.3
141.03291	0.4
143.03864	0.4
143.04907	5.2
145.02832	0.3
145.04910	0.4
145.06444	0.5
147.04372	1.4
149.05957	0.7
153.03305	1.2
155.04872	1.5
155.05968	0.7
157.02904	0.3
159.04401	5.0
161.06007	1.9
165.09094	0.7
167.07031	0.4
169.02817	0.4
171.04410	15.6
172.04713	0.9
173.02257	0.5
173.05975	0.4
175.03867	0.3
175.07561	0.3
176.04591	0.4
177.01849	0.9
177.05435	2.4
181.02821	1.8
183.04391	0.9
183.10149	0.7
185.02234	0.5
187.03902	10.4
188.04182	0.5
189.05475	2.5
191.07002	0.7
197.02232	1.3
199.03891	17.4
200.04239	0.7
203.03401	1.3
204.04138	0.4
205.04950	2.3
209.02394	2.5
211.03839	2.9
214.02625	0.4
215.03384	14.5
216.03882	0.7
217.04955	3.9
225.01828	1.4
226.02434	0.6
227.03380	15.5
228.03712	0.9
229.01245	0.4
229.04944	1.2
231.02881	0.6
233.04440	2.1
237.01907	2.0
238.06293	0.4
239.03375	1.5
240.60912	0.3
243.02885	18.9
244.03207	1.2
245.04424	4.8
253.01326	1.2
253.08730	0.3
255.02884	17.6
256.03229	0.8
256.85379	0.3
261.03961	3.3
265.01282	0.6
271.02365	23.2
272.02734	1.8
273.03943	13.6
274.04221	0.9
281.00845	1.2
283.02371	11.8
284.02936	0.5
289.03409	7.8
298.01245	0.3
299.01840	43.2
300.02271	3.2
301.03400	40.4
302.00476	1.2
302.03766	2.7
313.10797	0.7
315.01456	0.3
316.02036	1.5
317.02905	9.0
318.03171	0.5
327.01331	12.8
327.08786	0.4
327.12201	0.6
328.01688	1.2
344.52393	0.3
345.02396	100.0
346.02679	6.7
346.26068	0.4
368.67856	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0601
Annotation	3,4,3'-Tri-O-methylellagic acid
Peak:m/z	Relative Intensity
55.57753	0.1
58.90070	0.1
83.61476	0.2
91.05450	0.2
103.05450	0.2
107.04859	0.2
115.05402	0.7
117.06960	0.3
119.04906	0.2
130.04044	0.2
131.04918	0.8
139.52750	0.2
142.04117	0.2
143.04959	0.3
144.05696	0.2
145.06450	0.9
147.04387	0.4
155.05946	0.3
157.06433	0.3
158.03590	0.7
159.04369	0.6
161.05916	0.4
169.02792	0.3
171.04416	0.9
173.05972	1.2
175.03926	0.8
183.04440	0.3
185.02319	0.4
185.05930	0.3
186.03104	1.9
187.03906	0.9
189.05441	0.2
190.06204	0.3
196.01578	0.2
197.02246	0.5
198.03064	0.6
199.03847	1.4
200.04576	0.4
201.01866	0.3
201.05449	2.9
203.03386	2.1
210.02979	0.2
212.01091	0.3
212.04579	0.4
213.01744	0.7
214.02602	3.1
215.03371	1.8
217.04900	0.4
218.05754	0.2
225.01762	0.8
226.02472	0.4
227.03377	0.6
228.04114	1.4
229.01227	0.5
229.04948	2.7
230.02246	0.2
230.05345	0.2
231.02855	4.6
232.03336	0.3
239.03305	0.2
241.01315	2.5
242.02068	6.2
243.02827	1.5
246.05235	0.4
247.05975	0.3
253.01375	0.3
255.02826	0.3
256.03635	1.4
257.00781	0.7
257.04407	1.2
258.05142	0.2
259.02374	4.8
260.02841	0.3
268.03574	0.2
269.00800	3.4
270.01544	4.5
271.02289	2.2
271.99588	0.4
274.04657	0.9
282.01370	0.3
283.99677	0.3
284.03064	1.0
285.03912	11.5
286.01074	1.1
286.04443	1.2
287.01828	9.5
288.02255	0.6
289.03485	0.2
297.00348	1.5
298.01193	0.4
299.01825	4.3
299.05249	0.3
299.98987	1.1
300.02310	0.4
301.03375	1.8
302.04263	0.9
311.02063	0.2
312.02600	2.1
313.03384	30.9
313.10855	0.6
314.00708	0.2
314.04010	7.4
315.01306	23.4
316.01764	1.8
329.02905	3.8
330.03659	32.5
331.03973	2.4
345.06012	100.0
346.06332	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	345.0604
Annotation	3,4,3'-Tri-O-methylellagic acid
Peak:m/z	Relative Intensity
57.96497	0.1
65.03882	0.2
67.53036	0.1
68.99763	0.2
69.03392	0.1
69.11454	1.4
84.35277	0.1
91.05468	0.3
95.08573	0.2
103.05408	0.5
105.06985	0.3
107.04904	0.3
109.02801	0.2
109.10100	0.3
115.05461	0.9
117.06953	0.4
119.04880	0.2
119.08522	0.3
128.06166	0.4
129.06953	0.2
130.04099	0.2
131.04884	1.0
131.08469	0.2
135.04370	0.2
137.05910	0.4
137.09514	0.2
143.04834	0.6
144.02020	0.2
144.05627	0.2
145.06487	0.8
146.03583	0.2
147.04343	0.6
147.08032	0.1
149.05908	0.3
151.03810	0.6
151.04935	0.2
151.07538	0.4
155.04858	0.4
157.02742	0.2
157.06450	0.5
158.03624	0.9
159.04431	1.0
161.06007	0.7
163.07506	0.4
165.09077	0.4
167.03395	0.3
169.02769	0.4
170.03560	0.4
171.04453	1.1
172.05046	0.3
173.02325	0.3
173.06018	1.1
175.03860	1.3
175.07503	0.4
178.09859	0.3
181.04941	0.2
183.04376	0.2
184.05206	0.2
185.02257	0.4
185.05908	0.5
186.03117	2.1
187.03928	1.5
189.05424	0.3
189.09076	0.3
190.06178	0.3
191.06978	0.3
193.08548	0.3
196.01581	0.2
197.02327	0.6
198.03102	0.8
199.00201	0.2
199.03909	1.8
200.04631	0.4
201.01753	0.3
201.03630	0.2
201.05472	3.4
202.05800	0.1
203.03430	2.8
203.06937	0.6
210.03070	0.2
211.03789	0.2
212.01036	0.4
212.04636	0.3
213.01776	1.0
213.05409	0.3
214.02625	3.0
215.03413	2.1
215.06836	0.2
216.04034	0.3
217.04898	0.5
218.05635	0.4
224.01033	0.2
225.01810	0.7
226.02521	0.5
227.03432	0.9
228.04166	1.5
229.01364	0.3
229.04912	3.3
230.02037	0.4
230.05344	0.3
231.02911	5.0
231.06416	2.2
232.03296	0.3
238.02629	0.2
239.03297	0.2
239.07120	0.2
240.00562	0.2
241.01295	3.6
242.02095	6.8
243.02843	1.8
243.05402	0.2
243.06453	0.2
243.99931	0.3
244.03546	0.4
245.04431	0.4
246.05171	0.5
253.01266	0.4
255.02876	0.3
256.03629	1.4
257.00824	0.6
257.04495	1.2
258.01617	0.2
258.05093	0.3
259.02362	4.7
259.05972	3.6
260.02808	0.7
260.06339	0.3
265.07199	0.2
267.10001	0.2
268.00040	0.2
268.03595	0.4
269.00806	3.4
270.01590	4.1
271.02359	3.3
271.05527	0.2
271.99448	0.5
272.02634	0.3
273.00232	0.2
273.03806	0.2
274.04684	0.9
283.99814	0.3
284.03152	1.3
285.03925	11.3
286.01056	1.4
286.04431	1.5
287.01849	11.0
287.05444	4.1
288.02182	0.7
288.05606	0.3
289.03387	0.2
297.00375	1.4
298.00974	0.3
299.01859	5.9
299.09247	0.3
299.12637	0.2
299.98990	0.9
300.02499	0.8
301.00067	0.3
301.03412	2.3
301.06863	0.3
302.04288	1.1
302.07440	0.3
312.02618	1.9
313.03409	31.3
314.00668	0.3
314.04077	8.8
315.01340	23.8
315.04980	8.5
316.01779	2.2
316.05414	0.5
327.08804	0.3
327.12137	0.3
329.02969	4.0
329.06561	0.6
330.03693	33.1
330.07385	7.6
331.04028	2.2
331.07733	0.6
345.06036	100.0
345.09711	14.0
346.06372	8.3
346.10065	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0966
Annotation	3',4'-Dimethoxywogonin
Peak:m/z	Relative Intensity
58.84385	0.3
69.43003	1.2
69.43435	1.3
98.23359	0.7
105.06910	0.4
146.27603	0.4
151.03928	1.9
151.04938	0.4
163.03807	0.4
167.03340	1.1
171.04398	0.6
171.71638	0.4
175.07498	0.5
193.08572	0.8
203.07043	2.1
216.04146	0.9
231.06523	12.8
232.06746	0.9
241.04770	0.4
244.03685	0.7
245.04370	0.8
247.58464	0.3
259.06018	24.9
260.06326	2.0
269.04095	0.4
272.03165	0.9
286.04578	0.7
287.05496	25.4
288.05756	2.3
297.10303	0.6
300.02734	0.7
301.07047	1.3
302.07767	0.9
313.06870	0.6
314.04181	1.1
315.04971	46.1
316.05374	3.2
327.11246	1.5
329.06516	5.0
330.07315	55.8
331.07703	3.6
345.09677	100.0
346.10004	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	345.0967
Annotation	Prosogerin E
Peak:m/z	Relative Intensity
53.03938	1.0
54.57832	0.2
55.01857	0.9
55.05506	0.5
57.03421	0.3
60.44684	0.3
65.03220	0.2
65.03944	1.7
67.05489	0.9
68.99784	0.3
69.03420	0.6
69.07069	0.4
70.15018	0.9
71.04987	0.6
73.87706	0.2
79.05486	1.9
81.03414	2.3
81.07046	0.8
83.04932	0.3
91.05469	2.3
93.03402	1.8
93.07023	0.5
93.98019	0.2
94.04169	0.6
95.04960	2.1
95.08594	0.5
97.06525	0.5
103.05458	2.7
105.07027	8.2
106.07364	0.3
107.04939	1.0
107.08577	0.5
108.02094	0.5
109.02937	0.3
109.06513	0.6
109.10165	0.6
110.03630	0.4
110.05029	0.2
111.04433	2.1
115.05404	0.7
117.06992	0.6
119.04956	1.3
119.08573	0.9
120.68280	0.2
121.02866	5.8
121.06496	0.8
122.03667	1.9
123.04424	1.0
123.11670	0.4
124.05199	0.5
125.05985	3.0
128.06210	0.5
129.07021	1.2
131.04904	1.5
131.08540	0.7
132.05698	0.7
133.06480	10.9
134.06821	0.4
135.04411	5.8
135.05449	0.2
135.08035	0.4
137.05969	29.4
138.06305	0.7
139.03918	0.9
139.47971	0.3
141.05421	0.3
143.08562	0.6
145.06474	1.4
145.10109	0.3
147.04401	2.9
147.08006	0.9
147.11592	0.2
148.05150	0.4
149.01234	0.4
149.02342	5.4
149.05968	0.9
151.03906	12.6
151.04997	1.2
151.07533	5.3
152.04236	1.1
152.95720	0.2
153.04335	0.6
153.05463	5.0
155.08478	0.3
157.06490	1.1
159.04419	0.5
159.08070	1.3
160.05165	0.4
161.05983	4.4
161.09550	0.3
162.06647	0.5
163.03912	0.3
163.07526	1.3
164.04807	0.3
164.08290	0.9
165.06923	0.6
165.09102	10.7
166.09448	0.6
167.03372	1.2
167.07074	0.3
169.04968	0.7
171.08014	1.3
175.07555	3.2
177.09100	0.9
179.03381	12.8
179.06970	1.0
179.08464	0.2
180.03735	0.4
181.01225	0.3
181.06526	0.3
181.08556	0.5
182.07286	0.3
185.06012	0.5
188.08304	0.9
189.09093	0.8
191.06995	0.6
191.10655	0.7
193.01407	0.4
193.08600	7.1
193.10349	0.4
195.02881	0.5
197.04431	4.3
203.07060	1.5
203.08723	0.4
203.10669	3.5
207.08130	0.5
210.06822	0.5
211.02312	0.4
211.07489	0.6
221.08177	2.7
221.11703	7.6
222.12004	0.5
225.09048	1.1
227.06999	0.3
235.07530	0.5
237.09038	0.3
238.06255	2.2
239.06993	1.3
239.10611	0.3
240.07703	0.7
249.09380	0.4
250.06332	0.2
252.07869	0.5
253.08463	1.5
254.09491	0.3
255.06509	0.5
256.07315	1.9
265.08585	0.3
266.05771	2.7
267.06491	1.0
267.10065	0.5
268.07291	3.0
269.08014	0.7
270.08624	0.3
271.09625	0.4
281.08069	20.2
282.08707	3.7
283.09555	0.4
284.06851	1.5
284.09647	0.3
285.11191	1.0
295.06058	0.6
295.09650	0.6
296.06793	3.5
297.07449	1.8
299.09125	3.8
299.12518	0.3
300.09512	0.3
302.07828	0.8
309.07462	0.6
309.11139	0.8
311.09100	100.0
312.06296	0.5
312.09460	7.6
313.06976	1.2
313.10446	0.5
319.20370	0.3
325.07004	0.9
327.08572	4.7
327.12222	0.7
327.15863	0.7
327.19394	0.4
328.09296	1.0
329.06503	0.3
330.07297	2.0
345.09576	3.0
345.13248	2.6
345.16956	1.1
345.20557	0.6
345.24203	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0965
Annotation	8,3'-Dihydroxy-7,4',5'-trimethoxyflavone
Peak:m/z	Relative Intensity
52.99282	0.3
54.12285	0.3
54.24030	0.3
55.05456	0.9
60.31807	0.3
67.05463	0.5
68.99747	0.7
69.07024	0.5
69.82102	1.3
78.51641	0.3
79.05434	0.9
81.06984	0.9
83.08558	1.0
91.05463	0.5
93.06997	0.8
95.08546	0.6
97.06464	0.4
97.10101	1.2
105.03362	0.8
107.04923	0.8
107.08549	1.0
109.10092	0.4
111.00771	0.6
119.08544	0.4
121.02865	3.0
121.06474	0.4
121.10078	0.4
124.11203	0.6
125.09550	1.1
131.04825	0.9
133.02766	0.6
135.04376	0.4
135.07979	0.7
137.02296	0.8
139.11063	0.5
140.54558	0.4
147.04335	0.6
149.02315	0.4
149.05966	0.4
153.00652	0.4
153.01817	5.9
153.09006	1.1
157.06450	0.6
163.03908	0.5
163.07487	0.3
165.01826	2.7
165.05464	0.7
170.10403	0.3
170.11746	4.0
171.04335	0.5
171.12018	1.0
175.94736	0.3
176.04636	0.6
178.06139	0.4
181.06470	0.3
181.20085	0.4
183.02899	1.5
185.05904	0.9
189.05412	0.5
189.11162	0.5
191.07008	0.7
201.05373	0.5
203.07037	0.4
204.04205	0.3
210.06715	0.8
213.05412	2.3
216.04109	0.4
217.04865	0.7
225.05310	0.4
227.07057	0.5
229.04924	0.7
231.06505	2.1
241.04884	2.7
243.06624	0.5
244.03581	1.4
245.04420	0.7
253.08488	0.5
255.02800	0.5
257.04297	0.6
258.05222	1.7
259.05957	6.3
269.04437	4.8
270.04742	0.3
271.06079	2.3
272.03165	0.7
273.03613	0.4
283.02356	1.5
283.05838	0.7
284.03229	0.9
284.06650	0.3
285.03882	3.7
286.04630	1.5
287.05475	34.4
288.05884	2.0
297.03906	1.0
299.05490	2.2
300.02615	0.5
301.03848	0.6
301.07025	2.1
302.07886	0.6
313.03299	0.9
313.10648	2.2
314.04138	1.9
314.10965	0.4
315.04944	25.3
316.05441	2.5
326.23233	0.7
327.23325	0.8
329.06534	8.0
330.07303	59.1
331.07605	4.4
345.09656	100.0
346.09961	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	345.0968
Annotation	8,3'-Dihydroxy-7,4',5'-trimethoxyflavone
Peak:m/z	Relative Intensity
51.02375	0.2
53.03935	0.2
55.01859	0.3
55.05503	0.5
57.03414	0.2
57.07043	0.2
61.71094	0.1
63.60622	0.2
65.03924	0.4
67.01855	0.2
67.05501	1.1
67.49714	0.2
69.03404	0.4
69.07050	0.3
71.04955	0.3
71.31879	0.3
76.02512	0.2
77.03947	0.2
78.92722	0.2
79.05498	0.8
81.03394	0.3
81.07049	1.1
83.04965	0.3
83.08603	0.5
86.44232	0.2
91.05468	1.6
93.03372	0.2
93.07048	0.9
95.04939	0.6
95.08627	1.1
97.06490	0.2
98.03684	0.2
103.05476	1.1
105.03424	0.2
105.07026	1.7
105.25648	0.2
107.04933	0.4
107.08559	0.7
108.02090	7.1
109.06486	0.5
109.10149	1.0
111.04404	0.6
111.08064	0.2
115.05446	0.4
117.03371	0.2
117.06994	0.7
119.04929	0.7
119.08628	1.0
121.06478	0.4
121.10135	0.4
122.03606	0.3
123.04416	0.5
123.11676	0.2
125.05990	1.3
125.09618	0.3
128.06245	0.3
129.06995	1.6
131.04930	0.9
131.08507	0.2
133.02852	1.5
133.06509	1.1
133.10172	0.2
134.73624	0.2
135.04370	0.4
135.08012	0.3
135.11664	0.3
136.01555	3.9
137.02316	0.3
137.05966	3.5
137.09578	0.5
141.05392	0.3
145.06445	0.8
147.04395	3.0
147.08043	0.5
148.05180	10.5
149.05984	5.5
151.03903	13.2
151.04987	1.2
151.07500	2.1
151.11237	0.2
152.01038	0.4
152.04225	0.6
153.01886	0.3
153.05449	0.5
154.02592	3.7
154.06296	0.2
157.06494	1.7
157.10066	0.2
159.07979	0.4
160.05183	0.8
161.05981	3.6
163.03854	0.4
163.07503	0.7
164.08321	0.3
165.05431	0.2
165.09109	1.2
168.05682	0.8
169.06421	0.3
171.04295	0.2
171.11568	0.2
173.06017	0.3
175.03859	0.3
175.07544	2.6
177.05501	0.3
177.08990	0.3
178.06151	0.3
179.07082	1.4
179.08502	0.3
181.05017	0.4
181.06520	0.2
185.05986	4.8
185.09494	0.2
189.08980	0.4
193.04938	0.4
193.08601	11.1
194.08887	0.4
195.04353	0.2
196.05023	0.2
197.04373	0.4
197.06015	0.6
198.06709	0.2
199.07510	0.3
200.08324	0.4
201.05492	0.2
203.07043	1.1
203.10574	0.3
205.08591	0.5
210.06683	0.2
211.07549	0.4
212.04536	0.2
213.05443	3.0
221.08067	3.8
221.11687	0.7
224.08228	0.3
225.05428	0.3
225.09097	0.4
227.06973	0.8
229.05029	0.3
238.06439	0.3
239.07100	0.3
241.04958	3.8
242.01987	0.2
242.05438	0.3
251.06656	0.2
252.07848	0.3
253.08574	0.4
255.06544	0.5
256.07303	4.1
257.07602	0.4
258.05383	0.5
259.05966	1.5
267.10059	0.6
269.04425	9.9
270.04807	0.8
271.06021	0.2
271.09650	0.2
281.11542	0.2
283.09869	0.2
284.06778	38.9
285.03928	1.2
285.07153	2.8
285.11118	0.8
286.04742	1.5
287.02332	0.4
287.05499	2.5
295.09711	0.5
297.03946	3.4
299.09283	0.2
299.12799	0.4
300.06265	0.5
301.07037	1.5
302.07819	1.1
309.11353	0.4
312.06256	29.9
313.03366	0.9
313.06686	2.4
313.10718	1.0
314.04083	1.2
315.01315	0.6
315.04883	3.3
316.05481	0.3
327.08759	0.3
327.12302	0.9
327.15625	0.2
329.02844	0.4
329.06494	2.1
330.03802	1.1
330.07303	21.3
331.07480	1.5
345.09665	100.0
345.13016	4.0
346.10016	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	345.1155
Annotation	Clotrimazole
Peak:m/z	Relative Intensity
59.20596	0.2
69.03461	0.3
69.68089	1.7
70.06587	0.4
72.06625	0.3
84.08128	0.4
84.66317	0.3
85.02897	0.6
95.01306	0.6
100.76941	0.3
113.02345	0.5
116.98624	0.3
119.01915	0.4
137.05928	0.3
144.27902	0.3
153.01817	2.5
154.48607	0.3
161.05830	0.3
166.05020	0.4
169.04909	0.3
176.16106	0.3
183.06281	0.6
199.08060	0.4
201.06152	0.7
219.01932	0.6
243.02098	0.8
243.07074	0.7
255.02061	0.8
261.03192	0.4
303.04044	0.3
345.11548	100.0
346.11877	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01784	0.8
65.37230	0.7
70.99011	1.3
75.65393	0.7
79.05492	1.8
80.41611	0.8
82.06542	0.7
83.06087	1.2
85.02901	0.9
86.03535	1.4
88.94750	0.6
91.05464	1.3
93.07044	0.9
94.04166	2.2
95.05008	0.9
95.06117	1.0
95.64050	0.7
103.05402	1.4
103.29240	0.7
104.04984	1.1
105.05769	0.8
107.04951	1.0
111.05570	4.3
115.05434	1.1
120.04432	2.8
122.03637	4.8
123.05611	1.3
126.06602	2.6
131.04901	1.2
132.04446	26.7
132.08073	1.0
134.06007	4.7
137.05971	52.7
138.06291	1.6
147.04362	1.8
148.03822	0.9
149.05931	1.2
150.05460	4.7
151.06134	12.3
153.05426	0.7
159.04384	0.9
159.05542	0.9
161.05946	2.5
165.06927	1.2
166.07179	0.7
171.04535	0.9
178.07660	0.9
187.08675	1.1
191.06941	1.8
194.06682	5.1
195.07526	0.9
202.09673	2.1
203.08203	1.5
206.06924	0.8
211.07645	1.0
214.10005	0.9
216.11223	0.8
227.03436	1.3
230.09061	0.9
231.07574	1.5
232.10847	3.5
237.09132	0.9
238.06091	1.0
242.09236	5.7
249.08989	1.1
253.08653	1.2
257.10345	5.2
258.08609	1.0
259.11893	11.2
265.08484	1.7
267.10132	1.5
271.01962	1.3
277.08652	1.0
284.11475	4.4
285.11435	1.8
299.01724	2.2
299.09088	2.3
301.03201	1.4
301.13898	0.8
302.12457	19.0
303.12869	1.1
309.11136	1.4
327.11960	2.1
345.02490	5.5
345.12933	100.0
346.13162	8.2
364.68744	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1332
Annotation	3'-Hydroxy-5,7,4'-trimethoxy-8-C-methylflavanone
Peak:m/z	Relative Intensity
53.03932	1.3
55.01863	3.2
55.05506	1.4
65.03942	1.9
67.05498	2.8
69.03441	1.6
70.21092	1.9
70.21418	0.8
71.93417	0.7
74.17332	0.7
74.76334	0.8
77.03912	1.0
79.05491	2.9
81.03410	1.1
81.07034	1.9
84.05629	0.8
91.05466	11.1
93.07030	2.8
95.04965	3.2
95.08580	1.7
100.86893	0.8
103.05452	9.2
105.07034	12.9
107.04959	11.5
107.08578	1.1
108.02118	1.0
109.02883	1.2
109.06516	0.9
109.10160	2.1
111.04414	1.2
115.05437	3.5
117.07018	3.7
119.04914	3.6
119.08573	2.9
121.06505	7.2
121.10149	0.9
123.04429	5.2
124.68861	0.7
125.06017	7.8
128.06221	1.6
129.06990	8.1
131.04926	8.8
131.08566	1.2
133.06467	8.7
135.08035	3.8
136.05205	2.8
137.05965	10.2
137.09579	2.0
141.05402	1.2
143.08516	2.7
145.06476	3.6
145.10255	0.8
146.07222	5.1
147.04405	26.2
147.08034	10.1
148.05132	1.5
149.05994	10.7
149.09593	1.0
150.06705	1.1
151.03911	57.4
151.05009	6.4
151.07530	24.2
152.04205	4.8
153.04312	1.0
157.06468	4.2
160.05186	3.9
161.05980	31.1
161.09595	2.1
162.06750	5.3
163.03889	1.1
163.07541	15.4
164.08307	2.3
165.05603	1.1
165.09099	9.0
171.08051	1.6
175.07544	26.0
177.09093	4.7
178.09894	33.0
179.07008	9.2
179.08463	1.1
179.10612	4.0
180.07724	2.0
181.06456	1.5
189.09116	10.2
191.07050	1.5
193.08598	100.0
194.09010	4.8
195.09946	0.9
203.07053	5.2
203.08611	0.7
203.10677	3.8
207.10196	6.6
221.08051	21.8
224.05865	0.8
224.08278	1.9
227.06917	1.4
234.06595	1.0
239.10606	1.3
240.11066	0.8
241.08531	2.2
242.09288	1.0
252.07687	2.1
253.08496	1.6
255.06555	1.0
266.09329	0.8
267.10117	3.0
269.08002	1.4
270.08841	2.1
281.11719	1.4
284.10162	1.1
285.10980	1.1
295.09436	4.1
299.09381	1.5
299.12701	4.8
309.11240	1.2
313.03293	1.3
313.10629	3.1
327.12204	4.9
327.15601	0.9
330.03589	1.2
330.07285	1.6
345.06012	2.1
345.09595	3.5
345.13284	16.3
345.17041	1.4
345.20343	1.0
346.13721	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1331
Annotation	3'-Hydroxy-5,7,4'-trimethoxy-8-C-methylflavanone
Peak:m/z	Relative Intensity
51.02407	0.9
53.03958	1.1
55.01870	3.8
55.05524	1.1
57.03453	0.9
57.33815	0.6
61.52148	0.5
65.03930	3.5
67.05505	4.0
68.99802	0.8
69.13566	5.8
71.09370	0.6
71.68490	0.6
77.03948	1.0
78.99756	0.5
79.05489	3.5
81.03440	2.2
81.07062	2.5
85.02912	2.0
91.05482	10.8
91.61298	0.5
93.03426	1.8
93.07056	2.4
94.04170	1.2
95.04957	4.1
95.08588	0.8
97.02901	0.8
103.05464	21.8
105.07017	10.9
107.04940	4.3
107.08601	1.1
108.02129	1.8
109.02885	1.3
109.06528	2.1
109.10174	2.6
111.04440	2.3
115.05450	5.7
117.07030	2.3
119.04939	5.3
119.08591	4.5
121.06525	3.7
121.10126	0.6
122.03644	2.4
123.04435	5.1
123.08065	0.8
124.05223	1.4
125.05979	11.4
125.09570	0.6
128.06227	2.1
129.06993	13.1
131.04926	14.8
131.08542	1.0
132.05547	0.6
133.06476	8.1
134.06799	0.6
135.04369	3.9
135.08043	1.2
137.02379	0.8
137.05969	32.7
137.09656	1.9
138.06377	0.7
139.03920	2.6
141.05458	1.8
143.04929	1.7
145.06505	2.2
147.04402	32.6
147.08032	6.3
148.05095	2.2
149.05969	9.5
150.06615	0.7
151.03905	87.1
151.05009	10.0
151.07515	16.8
152.04250	2.4
152.07872	1.0
153.05464	2.7
153.06772	0.6
155.08504	1.2
157.06493	7.8
159.04378	0.6
160.05203	6.5
161.05969	85.4
162.06290	4.7
163.03906	3.8
163.07549	12.9
164.08313	6.3
165.05460	2.2
165.06915	1.3
165.09091	4.6
166.07813	0.7
167.07048	2.0
167.08469	0.9
169.10184	0.9
171.08044	0.9
175.07533	31.3
176.07895	2.2
177.05457	4.9
178.07796	1.0
179.07051	11.8
179.08536	1.9
180.07797	1.8
181.04970	1.8
181.06464	1.1
182.07265	1.3
183.08063	0.8
185.05962	2.3
189.05457	0.7
189.09195	0.6
191.07042	2.7
193.04918	2.2
193.08594	100.0
194.08931	5.0
195.06505	3.0
195.08093	1.4
196.08842	1.2
197.09555	0.8
199.07553	0.9
203.07016	28.0
204.07407	1.7
205.06618	0.7
205.08476	0.7
207.08049	3.3
209.06081	1.0
210.06728	2.0
211.07434	1.8
213.09061	0.6
215.99283	0.7
221.08044	35.2
222.08424	1.2
223.07518	1.7
224.08350	3.1
225.09042	3.3
226.06178	1.1
227.06953	2.4
231.08038	1.7
234.06708	1.7
235.07494	2.6
237.05446	1.2
239.06973	2.2
239.10527	2.4
241.08539	2.3
242.09288	1.0
243.06415	1.2
249.09111	3.6
249.11385	0.7
251.07028	1.0
252.07838	3.7
253.08635	3.9
253.10800	0.7
255.06453	2.0
256.07285	1.6
259.07492	1.6
259.83173	0.8
263.10583	0.9
266.09329	0.9
267.10138	6.6
269.08051	1.8
270.08737	2.7
277.08459	2.7
281.11667	2.2
283.09668	0.7
284.10242	1.1
285.11169	8.1
286.11365	1.2
291.10126	3.8
295.09579	8.2
299.05606	1.4
299.09039	3.0
299.12708	4.7
301.10532	1.1
309.11200	5.7
313.10638	5.3
314.11240	0.8
327.12210	23.4
328.12430	2.3
330.07291	3.1
345.05911	5.7
345.09543	6.5
345.13223	31.5
346.06226	0.9
346.09937	0.7
346.13550	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1331
Annotation	3'-Hydroxy-5,7,4'-trimethoxy-8-C-methylflavanone
Peak:m/z	Relative Intensity
53.03950	0.7
55.01877	1.4
55.05536	1.3
55.90047	0.5
57.07079	0.6
65.03947	3.1
67.05505	2.7
69.07080	1.0
69.13231	4.2
71.05010	0.5
75.09993	0.5
79.05523	1.5
81.07075	2.1
83.08609	1.0
91.05486	5.7
93.03434	1.3
93.07019	1.3
95.04993	1.5
95.08617	2.2
97.06559	0.6
98.23287	1.0
101.42925	0.5
103.05467	2.7
105.07035	7.9
107.04977	0.6
107.08593	0.6
108.02061	2.4
109.02892	0.9
109.06551	0.8
109.10149	1.3
111.04449	2.1
115.05467	1.8
117.07042	1.6
119.04937	4.0
119.08575	3.4
121.06463	0.5
122.03635	0.9
123.04416	3.3
123.08152	0.9
123.11698	0.6
124.05225	1.4
125.05992	11.7
125.09592	0.7
128.06239	1.4
129.06996	9.6
131.04904	3.4
131.08594	1.2
132.05714	0.7
133.06500	6.8
133.10173	0.7
135.04417	1.1
136.01543	0.6
137.05972	16.8
139.07529	0.8
141.05482	2.0
143.08676	0.5
145.06508	1.3
147.04404	31.1
147.08023	4.1
149.05983	3.2
150.06749	1.0
151.03909	77.0
151.05017	8.8
151.07521	14.2
152.04286	2.5
152.05328	0.9
153.05455	3.9
157.06494	5.8
159.08095	0.6
160.05237	4.7
161.05980	18.5
162.06444	0.9
163.03903	0.9
163.07521	1.1
165.09109	7.1
175.07542	22.4
176.07933	1.3
177.05408	0.8
177.09106	0.9
178.06294	0.8
179.07028	10.1
179.08415	0.5
180.07819	2.5
180.54128	0.5
181.08511	0.5
188.08363	0.6
188.68416	0.6
193.08601	100.0
194.08936	3.9
196.08777	0.6
197.09563	0.6
201.14856	0.9
203.07025	5.5
203.10681	2.0
205.08475	0.8
207.08116	1.1
221.08067	29.7
221.11333	3.4
222.08369	1.7
224.08267	1.8
225.09108	1.3
226.09804	0.7
227.06979	0.7
241.08571	1.4
242.09190	0.6
249.09001	0.8
251.07109	0.7
252.07768	2.2
253.08495	1.4
255.06664	0.8
267.10263	3.0
269.07968	1.1
270.08707	1.6
277.08606	1.0
281.11691	1.8
284.10428	1.1
285.10889	0.6
295.09650	6.2
299.12759	2.2
301.06909	1.0
309.11108	0.7
311.22247	0.6
315.04861	1.4
327.12134	5.2
327.15710	1.2
327.19464	0.6
329.06348	2.8
330.07440	2.7
345.09488	8.2
345.13235	20.7
345.17322	1.3
345.20276	1.6
345.23709	2.4
346.09805	0.8
346.13669	1.8
346.32938	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1331
Annotation	2'-HYDROXY-2,3,4',6'-TETRAMETHOXYCHALCONE
Peak:m/z	Relative Intensity
55.01863	4.5
65.03928	3.7
67.05490	4.6
69.03434	2.0
71.34209	1.6
79.05486	4.8
81.03416	1.2
81.07038	2.4
91.05465	9.2
93.07040	3.3
95.04958	3.5
98.97096	1.3
103.05445	4.3
105.07008	3.2
107.04954	11.4
109.10135	4.4
111.04445	2.6
115.05438	5.7
117.07024	4.0
119.04951	4.5
119.08573	2.7
121.02865	15.3
121.06492	4.5
122.03577	2.1
123.04417	2.6
129.06950	1.7
131.04919	9.5
133.06499	3.0
135.04482	1.6
135.08035	2.4
137.05983	16.1
137.09601	2.4
139.03906	1.5
141.06973	4.3
145.06467	6.1
145.10091	1.3
147.04381	6.0
147.08037	2.4
148.05206	3.4
149.02342	1.8
149.05951	2.1
151.03908	18.4
151.07527	3.2
152.06207	4.9
153.05579	3.0
153.06970	7.5
154.07703	2.3
155.08557	8.2
157.06441	2.9
159.04399	2.1
161.05942	2.2
163.07555	4.7
165.06981	21.2
165.09105	2.4
166.07629	2.5
167.07030	4.3
167.08557	4.7
168.05719	3.6
169.06488	3.9
170.07224	3.5
171.04439	1.7
171.06554	1.6
173.05983	4.6
174.06787	2.5
175.07585	3.2
176.06198	1.6
177.06987	1.8
177.09033	2.1
178.07750	10.9
179.06998	4.5
179.08583	4.5
181.04933	5.7
181.06487	11.7
182.07277	6.7
183.08055	12.7
185.05959	1.8
191.07016	5.7
191.08574	1.9
193.06444	3.6
193.10179	2.6
194.07356	2.9
195.08105	10.7
196.05260	2.8
196.08792	4.6
197.06001	10.3
197.09592	1.3
198.06725	8.6
199.07457	3.9
202.07797	2.6
203.08617	2.1
203.10582	1.6
205.06583	3.3
206.07222	5.6
207.08049	6.5
208.08813	2.3
209.05981	4.2
210.06747	12.2
211.07529	24.9
211.11131	3.7
212.07956	2.5
213.05507	3.5
213.09064	4.1
219.07957	1.6
221.05977	3.5
221.09583	6.2
222.06813	2.2
223.07524	7.9
224.08327	7.9
225.05443	4.1
225.09015	4.3
226.06236	21.3
227.06892	4.7
234.06773	3.1
235.07518	4.9
237.05492	1.8
237.09126	2.4
238.06232	5.7
239.07027	59.6
239.10609	18.5
240.07605	8.6
240.10945	1.6
241.04887	4.7
241.08583	7.4
242.05518	1.5
242.08977	1.7
243.06537	3.6
249.09093	4.8
249.15364	1.4
251.06978	4.6
252.07774	5.4
253.08554	4.3
254.05548	3.0
255.06483	12.2
255.10149	2.7
256.07162	2.8
257.11752	1.8
265.08594	2.1
266.09305	1.3
267.06570	9.3
267.10159	15.4
269.08148	9.5
270.08856	6.3
271.05905	2.5
271.09586	3.6
271.12759	1.4
277.08536	2.0
281.07913	2.7
283.06049	2.6
283.09497	2.9
284.06885	3.0
284.10397	3.6
285.11197	27.1
286.08347	6.6
286.11337	3.2
295.09726	10.3
297.11160	4.0
299.09122	45.5
299.12738	19.3
300.09628	2.0
312.09949	2.9
313.10690	100.0
314.11218	12.0
315.12207	3.0
317.13861	5.4
327.12268	22.5
328.12497	2.0
330.03320	1.6
345.06381	2.5
345.09827	2.8
345.13297	53.1
345.16858	4.4
346.13589	3.7
346.17468	2.0
356.75656	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.133
Annotation	Piperphilippinin I
Peak:m/z	Relative Intensity
53.03941	0.8
55.01857	1.8
55.04200	0.3
65.03900	0.6
67.05504	0.9
69.03413	0.7
70.21497	0.8
71.04961	0.5
78.57095	0.4
79.05482	2.3
81.03391	0.8
81.07052	0.9
91.05476	3.4
93.07028	1.0
94.04172	1.0
95.04952	0.9
97.67825	0.4
103.05466	20.3
104.05772	0.8
105.07029	6.0
107.04946	3.0
109.06511	1.8
109.10185	0.5
115.05448	6.7
117.03257	0.3
117.06992	0.7
119.04907	0.9
119.08575	1.0
121.06488	3.0
122.03646	1.6
123.04433	1.4
128.06239	0.7
129.07008	2.7
131.04919	10.5
131.08571	0.5
132.05446	0.3
133.06482	4.4
135.04385	1.9
135.08017	1.2
137.05971	28.7
137.09540	0.7
138.06302	1.2
143.04929	2.0
143.08556	0.6
145.06439	0.5
147.04427	0.9
147.08043	1.5
148.05222	2.1
149.05975	6.8
151.03905	10.4
151.05005	0.8
151.07503	3.2
152.04271	0.5
153.05437	0.5
155.10715	0.4
157.06499	2.3
160.05180	0.5
161.05969	100.0
162.06303	4.8
163.07532	11.4
164.08330	5.0
165.05414	1.0
165.06873	0.4
165.09044	1.3
175.07536	15.6
176.07915	0.8
177.05458	7.4
178.07811	0.6
179.07150	0.6
179.08536	2.3
181.06375	0.4
185.05931	1.5
191.07004	1.6
191.71004	0.4
195.06499	3.6
197.09630	0.5
203.07021	36.3
203.08511	1.4
204.07405	2.0
207.08130	2.4
211.07442	0.6
214.02684	0.4
215.03477	0.5
221.07968	3.6
224.08337	1.8
225.09103	2.2
229.05023	0.6
231.02879	0.8
231.08072	2.3
235.07510	3.7
236.07947	0.6
237.05522	0.5
239.10736	1.4
241.01230	0.5
241.04980	0.5
242.02072	1.4
249.09076	1.2
252.07788	1.0
253.08572	2.7
256.07196	0.9
259.02481	0.7
259.07565	3.3
263.10669	2.3
267.10147	4.9
268.10461	0.5
269.08316	0.4
270.01575	0.5
270.08905	0.5
271.02335	0.5
276.07901	0.8
277.08578	1.3
285.04059	1.9
285.11172	12.7
286.11636	0.8
287.01877	1.7
291.10089	5.7
292.10654	0.5
295.09778	0.8
299.01877	0.5
299.12674	4.5
301.03406	0.6
309.11176	7.2
313.03394	5.3
314.04077	1.9
315.01346	3.6
327.12234	29.9
328.12692	2.2
329.03000	0.5
330.03717	6.1
330.07343	0.4
331.04205	0.5
345.06055	18.5
345.13049	7.3
345.20172	0.9
346.06412	1.3
346.13583	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57983	0.4
55.01878	0.4
55.05515	0.4
58.79462	0.4
59.05003	0.5
62.03159	0.4
65.03925	0.6
66.04697	0.6
67.05497	0.5
71.32194	0.6
74.09125	0.4
75.04481	0.8
79.05496	2.0
81.03407	0.4
81.07051	1.6
83.05032	0.4
85.02882	0.7
91.05464	2.6
94.04188	3.6
95.04970	0.5
103.05457	1.5
105.07052	0.6
107.04951	2.2
109.02911	0.9
109.06506	1.4
115.05433	1.6
118.04130	0.7
119.04929	0.6
121.06495	1.8
122.03646	9.0
123.04520	0.6
125.05959	1.0
131.04892	3.2
137.05969	100.0
138.06319	4.0
140.41122	0.4
143.04898	1.5
145.06432	0.8
146.03615	0.4
147.04407	1.9
148.04762	0.5
149.05984	2.2
151.03894	1.1
151.07513	0.7
153.05493	0.8
153.06990	0.8
159.04424	1.1
160.05206	0.6
161.05974	4.3
163.07515	1.0
165.05574	0.9
165.06985	2.8
167.00319	0.6
167.07147	0.8
167.26776	0.4
175.07503	3.0
176.04730	0.7
177.05502	0.7
178.07779	0.9
179.08531	1.2
181.05057	0.5
181.06537	1.1
182.02707	1.9
182.07321	1.3
183.03030	1.6
187.07515	0.6
191.07014	6.8
191.08643	0.7
193.06535	1.6
194.07253	1.2
195.07928	0.8
197.09616	0.6
203.07066	2.1
204.85925	0.4
205.06500	1.5
206.07204	0.9
207.08049	2.3
209.06009	0.7
210.06764	2.8
211.07509	1.0
221.05972	2.8
221.07986	0.9
222.06657	1.1
223.07545	1.7
224.08366	1.5
225.05499	0.5
225.09079	3.1
227.07022	1.0
233.06049	1.1
234.06705	1.8
235.07527	1.2
237.09134	1.6
238.06277	1.4
239.10666	1.2
247.07428	0.7
249.09084	1.0
251.07074	1.6
252.07791	0.8
253.08627	4.6
254.09044	0.8
265.08572	3.5
267.07367	0.6
267.10178	3.6
268.10690	0.5
270.08856	1.1
277.08588	2.1
282.08963	0.7
283.09583	0.6
284.10303	0.8
285.11188	4.5
286.11313	0.5
294.08948	1.8
295.09659	1.6
297.11197	1.8
299.01721	0.7
299.09244	0.5
301.03220	0.5
309.11105	3.0
313.10693	4.6
314.11285	0.9
321.59521	0.4
327.12106	1.1
345.02383	1.3
345.06064	0.7
345.09631	1.8
345.13684	2.4
346.10413	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1331
Annotation	Chushizisin F
Peak:m/z	Relative Intensity
55.01866	1.5
65.03939	7.5
65.74527	1.3
67.05494	2.9
74.37292	1.4
79.05472	3.0
81.03419	1.4
81.07072	2.1
83.04973	2.4
91.05472	5.3
93.03368	3.4
93.07043	2.0
95.04916	1.5
95.08596	1.4
96.02115	6.9
98.23248	2.7
103.05445	4.7
105.07069	3.1
107.01319	2.9
107.04973	3.1
107.08581	1.6
109.10176	2.0
111.04445	33.1
115.05428	3.3
117.07013	3.4
119.04964	2.0
121.02847	1.4
121.06554	2.2
123.04417	3.2
128.06203	2.5
129.07024	5.4
131.04912	3.6
131.08569	2.5
133.06471	1.5
135.08092	2.0
137.05969	6.9
139.03880	14.8
141.06961	1.8
143.08633	1.4
144.05696	2.5
145.06491	6.9
147.04373	2.5
147.08014	2.1
149.06003	3.2
151.03938	1.9
151.07547	2.3
152.06187	3.8
153.05501	2.9
153.06981	6.0
155.04829	2.4
155.08583	2.8
157.06511	5.6
159.08051	10.2
160.08835	7.4
161.05963	9.0
161.09589	3.2
162.06709	3.5
163.07588	2.1
164.08231	1.4
165.06950	6.2
165.09119	3.7
167.03394	6.6
167.07030	1.7
167.08533	3.0
168.05742	6.4
169.06491	5.5
170.07202	1.9
171.08037	2.5
173.05922	2.2
174.06728	1.6
175.07533	3.5
178.07782	4.5
179.03363	2.9
179.07111	1.6
179.08519	6.4
181.06497	9.5
182.07248	5.5
183.07970	2.8
184.08769	1.9
185.05994	7.3
185.09668	2.7
187.07497	6.1
188.08296	9.1
189.09067	3.6
191.06990	4.1
193.06476	1.6
195.08012	6.0
196.05194	4.4
196.08804	4.4
197.05971	5.2
197.09601	3.2
198.06755	22.9
199.07401	3.7
200.08275	3.0
201.05301	1.6
205.06418	2.7
206.07260	3.5
207.08076	7.7
208.05191	1.8
208.08797	4.8
209.05946	5.6
209.09668	1.9
210.06863	6.3
210.10265	1.3
211.07530	9.3
211.11212	5.6
212.08264	3.5
213.05487	11.5
213.09071	5.2
215.07062	1.7
215.10135	1.3
219.08096	1.5
221.06004	1.7
221.09569	3.4
223.07497	8.9
224.04750	3.8
224.08267	7.7
225.05489	5.0
225.09000	6.1
226.06277	7.5
227.07027	8.4
228.07715	5.7
234.06737	2.5
235.07509	7.1
236.08270	3.6
237.05396	3.7
237.09146	3.9
238.06213	3.1
238.09924	10.6
239.07040	24.5
239.10605	15.0
240.07767	11.4
240.10988	1.6
241.04926	8.1
241.08527	17.0
242.05554	1.6
243.06467	16.9
243.10152	1.6
249.09021	5.9
250.09488	1.6
251.07054	3.9
252.07802	5.5
253.04994	3.8
253.08542	14.0
253.12251	5.5
254.05650	2.9
255.06456	5.8
255.10138	2.0
256.07333	20.5
256.10834	3.3
257.07904	2.7
258.08771	2.2
263.07104	2.7
265.08624	2.8
266.05899	1.6
266.09464	2.7
266.53464	1.4
267.06604	5.5
267.10156	32.5
268.07297	24.8
268.10413	2.8
269.08057	35.0
270.08728	3.5
271.06668	1.7
271.09665	9.3
271.13254	5.1
272.13287	1.4
280.07358	2.0
281.08047	4.5
281.11679	5.4
283.06061	1.4
283.09634	2.4
284.06796	3.4
284.10413	11.8
285.11087	3.7
286.08356	7.0
287.01694	1.5
287.08948	2.7
291.19376	1.3
295.09601	11.5
296.10327	11.9
299.09192	100.0
299.12720	19.5
300.09442	6.4
300.12848	1.7
312.09830	3.0
313.03424	2.8
313.10675	28.0
314.11194	2.2
317.13846	2.4
327.12253	70.2
328.12607	6.1
330.03763	2.8
330.30881	1.4
345.06494	7.7
345.13309	42.0
345.16785	2.3
346.13657	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1331
Annotation	Chushizisin F
Peak:m/z	Relative Intensity
53.03928	1.2
55.01852	2.7
55.05500	2.7
57.03426	1.2
65.03925	6.0
67.05502	6.5
68.02637	1.2
69.03429	1.6
69.07044	1.1
69.32620	2.7
69.33038	4.2
71.04990	1.2
73.02912	4.8
79.05490	2.6
79.25912	1.0
81.03393	4.2
81.07035	3.9
85.02891	2.1
91.05474	6.4
93.03396	2.7
93.07027	1.6
95.04943	3.3
95.08569	2.4
96.02107	7.3
97.06516	1.5
99.04498	1.2
103.05438	4.0
105.07008	4.5
107.01308	2.7
107.04929	3.6
109.02847	2.0
109.10157	10.6
111.04432	27.3
112.04818	1.0
115.05430	3.4
117.06990	3.4
119.04890	1.0
119.08528	1.4
121.06480	4.4
122.03613	1.5
123.04395	4.8
124.05209	2.0
125.05971	1.3
126.09116	1.7
128.06154	2.2
129.06970	5.2
131.04933	7.9
131.05818	1.5
131.08539	1.5
133.02855	1.0
133.06415	3.3
135.08014	1.1
137.02348	1.3
137.05978	15.1
137.09563	6.2
139.03879	16.9
141.06967	3.3
143.04900	1.1
144.05637	2.7
145.06483	6.1
146.07210	1.2
147.04369	4.4
147.08000	3.0
148.05147	1.9
149.02296	1.2
149.05968	6.4
151.03859	8.0
151.07539	3.6
152.06171	2.1
153.05450	3.5
153.06956	5.3
154.07710	1.7
155.04887	2.4
155.08543	1.9
155.10622	1.5
157.06487	6.0
159.04378	1.6
159.08032	9.6
160.08823	6.4
161.04794	1.6
161.05991	9.8
161.09572	2.4
162.06694	1.6
163.07520	4.0
165.05455	2.7
165.06963	8.3
165.09113	8.0
166.07689	1.8
167.03421	6.5
167.08495	3.6
168.05637	5.8
169.06497	7.2
170.07259	1.7
171.07999	1.9
173.05991	1.1
174.06757	1.0
175.03839	3.9
175.07530	2.8
177.05482	1.5
178.07712	5.3
179.03293	1.7
179.07135	1.7
179.08522	6.8
180.05688	1.3
181.05023	1.4
181.06487	11.3
182.07251	4.3
183.04422	1.5
183.08060	4.8
184.08607	1.0
185.05962	6.4
185.09561	3.3
187.07532	6.2
188.03378	2.5
188.08290	7.4
189.09058	4.4
190.07683	1.7
191.06938	2.5
193.06468	2.7
193.08394	1.0
193.10182	1.4
194.07253	2.1
195.08038	8.4
196.05183	6.6
196.08791	4.1
197.05956	8.0
197.09576	3.4
198.05034	1.5
198.06755	19.5
199.07501	5.4
200.04689	2.3
200.08243	4.2
201.05435	2.5
201.09151	1.5
201.11145	1.1
203.06908	1.2
206.07330	2.2
207.08035	9.4
208.08759	1.6
209.05998	7.2
209.09525	1.8
210.06764	8.7
210.10326	1.7
211.07553	13.0
211.11124	5.8
212.04698	1.4
212.08084	3.0
213.05438	10.7
213.08902	5.0
214.02608	1.7
214.06026	1.2
215.06993	2.5
218.07170	1.5
219.08064	1.2
221.05904	2.7
221.09544	3.8
222.10220	1.6
223.07539	8.4
224.04659	3.7
224.08310	8.0
225.05440	4.5
225.09010	5.5
226.06262	9.4
227.06970	6.7
227.10667	2.8
228.04176	1.3
228.07805	6.9
229.04861	1.5
231.02899	1.4
234.06708	2.8
235.07497	7.4
236.08234	3.3
237.05363	3.2
237.09055	3.6
238.06195	4.6
238.09805	10.7
239.07019	25.2
239.10620	15.2
240.07726	12.6
241.05005	8.1
241.08546	16.7
242.02121	1.6
242.05618	1.3
242.09236	1.7
243.06522	16.3
249.09093	5.6
250.09619	1.3
251.07021	4.7
252.04059	2.3
252.07796	6.2
253.04813	3.2
253.08563	17.9
253.12119	5.7
254.05693	3.0
254.08978	2.3
255.06496	5.5
255.10153	2.2
256.07254	22.0
256.10406	2.2
257.07742	3.6
258.08875	2.6
263.07086	1.9
265.08643	2.4
266.09286	1.8
267.06567	5.4
267.10080	33.1
268.07202	23.4
268.10547	4.2
269.04971	1.6
269.08060	33.3
270.01425	1.3
270.08664	5.1
271.06232	1.1
271.09769	5.7
271.13016	5.1
273.11179	6.2
277.08521	2.8
281.08002	5.2
281.11633	3.9
283.09540	2.9
284.06787	4.1
284.10336	9.6
285.03821	2.8
285.07678	2.3
285.10947	6.7
286.08380	7.5
287.01715	3.5
295.09579	12.8
296.10358	11.6
297.10794	3.1
298.08499	1.2
299.09058	100.0
299.12646	21.5
300.09491	9.5
300.12756	1.3
309.11050	2.6
312.09775	2.3
313.03464	9.4
313.07062	2.1
313.10641	28.9
314.03949	2.2
314.11087	3.4
315.01376	6.3
315.12143	1.4
317.13788	2.2
327.12225	68.0
328.12625	5.2
329.02753	1.4
330.03607	11.5
345.06097	31.8
345.13208	45.7
345.16763	1.8
346.06448	3.1
346.13599	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	345.1333
Annotation	5,7-Dihydroxy-6,8-dimethyl-3-(4'-hydroxy-3'-methoxybenzyl)chroman-4-one
Peak:m/z	Relative Intensity
51.02380	0.9
53.03948	1.7
55.01873	2.5
55.05513	1.5
65.03925	4.3
67.05510	2.9
69.03451	1.2
69.07075	1.8
69.63194	2.8
69.63606	2.0
71.05006	1.2
79.05488	7.5
81.07058	4.2
85.44250	0.8
91.05492	15.1
93.03398	5.0
93.07066	1.8
94.04186	2.7
95.04967	3.4
95.08601	2.1
97.06518	0.9
97.10177	1.3
103.05473	24.4
105.07029	21.4
107.04955	8.4
107.08575	2.1
109.06528	2.5
109.10172	1.8
111.04445	7.6
115.05461	5.9
117.07024	3.2
119.04951	8.0
119.08577	3.3
121.06535	3.0
122.03648	6.5
123.04418	6.9
124.05199	2.2
125.05983	10.1
128.06201	3.3
129.06976	7.6
131.04932	13.0
131.08603	2.3
132.05684	1.4
133.02905	1.1
133.06476	18.5
135.04420	3.9
135.08069	2.2
136.05226	2.2
137.05971	100.0
138.06363	2.5
138.46074	1.1
139.07562	1.4
143.04916	1.5
143.08601	3.4
145.06483	7.0
147.04411	10.9
147.08040	4.7
148.05194	5.0
149.05960	8.9
150.03186	1.3
150.06801	1.1
151.03915	42.8
151.05013	4.1
151.07538	31.5
151.08752	1.9
152.04297	2.8
152.07878	2.2
153.04401	1.4
153.05489	14.5
157.06493	8.8
159.08037	2.3
160.05244	3.1
161.05972	42.2
162.06430	1.9
163.03906	3.0
163.07550	17.2
163.11209	1.2
164.08365	7.3
165.05463	1.6
165.09114	23.4
166.09470	1.6
167.07039	5.2
171.08080	4.2
173.06000	2.4
175.07538	23.7
176.07935	1.1
177.05481	2.3
177.09088	2.6
179.07080	4.0
179.08528	1.8
181.04987	3.7
181.08595	2.8
185.05995	2.5
187.07573	1.4
188.08310	2.2
189.09142	1.5
191.07069	2.3
191.08665	1.1
191.10655	1.8
193.08604	27.9
194.08946	1.8
195.06583	2.5
203.06992	18.7
203.08615	1.9
203.10612	9.1
204.10986	1.2
205.08629	1.1
207.08096	1.6
211.07472	1.5
219.08105	2.5
220.63402	0.9
221.08139	13.8
221.11700	19.4
222.12140	1.6
224.08299	1.9
225.09186	1.9
231.06342	1.5
231.08295	1.7
234.06664	1.4
235.07594	3.0
237.09174	1.8
238.18266	0.9
239.07080	1.1
239.10666	1.7
241.08727	1.1
246.15746	0.9
247.07504	1.9
249.09076	3.7
250.06180	1.1
251.07153	1.9
251.10608	0.9
252.07722	1.3
253.08621	2.7
259.05908	2.0
265.08588	3.2
266.09387	1.6
267.10175	4.6
268.10504	1.0
269.08142	1.4
270.08777	1.6
271.09601	1.5
277.08609	5.6
281.11563	1.3
285.11176	10.2
287.05551	3.0
291.10193	2.0
294.08810	2.2
295.09686	2.5
295.13019	0.9
297.11264	3.8
298.25052	1.0
299.12842	1.9
309.11240	10.1
310.11636	1.0
313.10339	1.8
315.04956	5.6
327.12225	5.0
327.15991	2.4
329.06458	1.4
330.07346	19.1
331.07617	1.2
345.05392	1.6
345.09647	33.0
345.13342	17.3
345.16803	1.8
345.20438	2.0
345.24194	1.5
345.31744	1.3
346.09879	1.4
346.13800	1.7
353.46310	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20161	0.3
56.40722	0.3
70.54623	0.9
82.06652	0.3
137.05969	1.1
165.08861	1.9
169.11742	0.3
170.62262	0.3
183.09894	1.7
203.05270	2.8
278.97351	0.3
287.10858	0.5
327.14044	1.6
345.15182	100.0
346.11462	0.4
346.15457	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	345.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
55.01861	0.6
62.03856	0.5
65.03937	0.6
67.05489	1.1
69.03414	0.8
69.07104	0.4
71.33747	0.6
72.08139	0.5
76.34742	0.5
79.05486	1.9
81.03423	0.7
81.07028	1.3
84.97162	0.4
91.05473	3.9
93.07019	1.0
94.04174	5.6
95.04965	1.1
97.06514	0.5
103.05462	11.9
105.07014	5.7
107.04942	2.7
107.08604	0.6
109.06503	1.3
109.10113	0.6
115.05462	1.1
117.06998	1.8
119.04944	0.9
121.06477	2.4
122.03632	10.3
123.04443	1.0
123.08086	0.5
128.06219	1.1
129.06952	0.8
131.03941	0.6
131.04922	11.4
133.06482	18.0
135.08049	7.3
137.05968	100.0
138.06325	2.8
143.04970	0.7
143.08513	0.5
145.06470	3.4
147.04355	0.9
147.07990	1.0
149.05969	1.4
151.03865	1.5
151.07535	4.9
153.05496	0.9
157.06493	1.2
161.05954	1.3
162.06610	0.5
163.03896	0.7
163.07535	27.7
164.07971	0.8
165.07002	0.7
165.09114	1.0
171.08066	1.0
174.06781	0.5
175.07533	2.1
177.09062	3.0
181.04994	0.9
182.05255	0.9
189.07410	0.5
189.09103	1.8
191.07027	1.8
193.06419	0.6
203.10698	0.8
207.08064	1.1
211.07530	0.7
221.05962	0.7
225.09209	0.9
227.06918	0.6
235.07538	0.5
235.11079	0.7
245.09502	0.5
253.08646	1.8
263.10675	1.7
267.10214	0.7
285.11179	2.0
295.09888	0.8
295.13260	1.4
299.09476	0.6
313.10583	1.5
327.12234	2.0
327.15829	1.0
345.02209	0.8
345.13403	1.4
347.90097	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1697
Annotation	Laxiflorin J
Peak:m/z	Relative Intensity
53.03946	0.6
55.01880	1.1
55.05499	0.5
59.05026	0.4
61.15242	0.3
61.40701	0.3
65.03938	4.1
67.05501	1.3
69.07075	1.1
69.70540	1.7
77.03940	0.4
79.05499	4.7
81.03425	1.2
81.07056	2.2
85.02964	0.3
85.06540	0.3
91.05486	5.4
93.03411	5.6
93.07042	0.5
94.04197	1.3
95.01337	0.3
95.04977	1.5
95.08597	0.4
99.21100	0.3
101.66382	0.3
103.05470	3.4
105.07033	27.9
106.07377	0.9
107.04972	2.5
107.08598	0.6
108.02103	0.3
109.02922	0.8
109.06522	2.7
109.10152	0.9
110.03673	1.0
111.04446	5.1
115.05462	0.6
117.07022	0.8
119.04948	2.2
119.08552	0.6
119.51684	0.3
120.53741	0.3
121.02855	0.9
121.06515	1.1
121.10154	0.4
122.03652	6.2
124.05225	1.3
124.51557	0.3
125.05991	7.7
128.06256	0.8
129.07010	0.7
131.04948	1.4
131.08574	1.3
133.06491	23.4
134.06894	0.5
135.04391	0.4
135.08067	0.4
137.05978	100.0
138.06320	3.3
141.05455	0.9
143.08548	3.8
145.06497	3.1
145.10139	0.6
146.06888	0.3
147.04449	2.0
147.08078	0.5
148.05101	0.3
149.02374	1.6
149.05956	2.0
150.06744	0.5
151.03918	19.8
151.05026	2.1
151.07544	15.0
152.04233	1.9
152.07831	0.5
153.04424	0.9
153.05469	19.4
154.05846	0.8
157.10129	0.3
158.23172	0.3
159.08060	2.7
161.06009	2.4
161.09599	0.6
162.06769	1.9
163.07484	1.8
164.08279	1.0
165.09117	45.3
166.09474	1.9
169.04947	0.4
171.08055	4.6
173.06056	0.4
175.07568	1.4
177.09076	2.1
178.09993	0.4
179.03400	2.7
179.06993	0.5
181.08624	1.9
184.93944	0.3
188.08304	3.1
189.09076	0.8
191.07056	0.9
191.10718	2.2
192.29129	0.4
193.08617	3.5
193.12256	0.5
197.04472	1.0
197.09714	0.4
203.07022	0.7
203.10675	12.3
204.11018	0.7
207.10159	0.4
221.08141	1.6
221.11725	26.2
222.12054	1.4
235.11147	0.6
239.07109	0.4
253.08650	0.5
254.05783	1.7
263.10645	0.7
269.08041	0.5
282.05219	3.6
283.05722	0.7
284.06744	1.3
285.11249	0.8
295.13214	0.9
297.07556	4.5
299.09207	0.4
299.12546	0.4
312.06277	5.2
313.07129	0.6
313.10736	1.5
327.08636	28.0
327.11810	1.0
327.15836	2.3
328.08972	2.6
345.05981	0.9
345.09570	0.6
345.13239	2.9
345.16913	2.1
345.20535	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.9
60.04510	2.6
63.73824	1.9
63.74136	1.6
67.05506	2.9
69.03430	1.9
69.52846	8.6
71.04998	1.8
77.83881	1.5
79.05482	4.9
81.03417	1.8
81.07047	2.9
91.05477	9.3
93.07065	4.4
94.04174	1.8
95.08604	1.9
103.05468	17.9
105.07009	3.4
107.04926	7.9
107.08538	1.9
109.10139	2.3
111.04433	2.0
115.05438	3.8
117.07017	8.1
119.04961	3.9
119.08589	3.3
121.02831	2.7
121.06501	4.9
122.03667	4.9
123.04417	3.7
123.08067	2.4
125.05953	2.4
128.06213	3.2
130.04126	2.4
131.04918	26.0
132.05692	1.6
133.06439	2.7
135.04436	1.7
135.08081	3.4
137.02373	1.9
137.05965	57.0
137.09581	2.1
138.06294	2.9
143.08621	3.3
145.06479	3.3
147.04414	4.8
148.05116	1.8
149.05972	5.1
149.56746	1.7
151.03917	8.3
151.07532	15.4
151.11769	1.4
152.06256	1.6
153.05460	3.3
153.07016	2.6
160.05127	1.5
161.05965	6.0
162.06776	3.8
163.03839	2.0
163.07538	49.3
164.08086	1.9
165.05615	2.2
165.06902	3.0
165.09050	3.8
167.07062	3.0
171.08029	2.0
174.06734	1.9
175.07530	11.8
176.04610	1.8
177.09100	100.0
178.07903	2.0
178.09435	4.8
179.07127	2.3
179.08548	2.1
181.05003	1.8
181.06491	3.6
182.07268	2.8
189.09200	1.9
191.03371	5.1
191.07045	14.2
193.08647	4.5
194.07210	2.0
195.08257	2.9
195.10178	9.1
203.10678	4.7
207.07994	3.7
210.06793	3.4
211.07481	3.3
215.03336	1.6
216.73917	1.8
221.06000	2.4
221.11743	5.6
223.07475	2.1
224.08287	3.6
225.05513	1.7
225.09018	2.9
226.06313	3.6
227.06897	2.0
235.07518	3.4
235.15102	1.6
239.06998	8.0
239.10774	2.1
241.08635	2.6
243.06372	2.0
253.08545	5.1
254.09236	2.1
255.06358	1.8
267.06772	3.1
267.10074	6.6
269.08115	4.3
270.08936	2.6
281.08054	2.9
281.11810	2.2
283.09628	3.0
284.10178	2.2
285.07880	2.5
285.11218	10.0
286.08447	1.7
295.09683	4.1
297.11197	1.7
299.09137	9.1
299.12787	8.6
309.11292	2.9
313.10614	29.0
314.11212	4.1
315.12054	2.0
327.05145	1.8
327.12268	6.7
327.15628	2.2
345.06113	4.2
345.09592	5.1
345.13306	20.6
345.16696	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13789	0.9
52.59634	1.0
55.01858	1.3
56.26751	0.9
62.89762	1.1
63.57533	0.9
67.05499	6.8
69.03426	2.8
70.09533	1.1
70.76347	1.1
79.05478	5.1
79.80269	1.0
81.03401	2.6
81.07063	6.2
84.25228	1.1
87.79134	1.1
91.05466	5.0
94.04178	4.4
95.04959	2.5
95.08627	2.6
97.06516	1.5
103.05476	12.4
105.07043	4.8
107.04974	2.5
109.02871	3.0
109.06523	3.1
109.10153	18.4
115.05460	2.2
117.07001	1.6
119.04961	1.4
119.08600	1.7
121.06499	3.7
122.03634	12.3
123.04429	2.4
127.03918	1.2
128.06241	1.3
129.07005	1.4
131.04922	14.5
133.06483	17.9
135.08018	6.4
137.05971	100.0
137.09592	13.2
138.06345	4.0
145.06480	3.0
147.04391	1.5
147.08043	2.8
149.05972	1.6
151.07559	5.2
155.10680	3.2
157.06445	1.4
161.06021	2.2
162.06750	1.4
163.03966	1.0
163.07545	29.9
164.07947	1.3
165.06915	1.5
165.09105	13.4
167.07076	1.1
171.08180	0.9
175.07530	2.8
177.09085	6.0
179.08696	1.1
179.90247	1.2
183.10214	1.2
187.07516	1.2
189.09111	1.9
191.07071	4.1
195.08015	1.5
201.11142	1.1
203.10710	1.7
210.06688	1.4
239.07094	1.1
253.08543	1.6
263.10684	1.5
267.10147	2.1
270.08823	1.2
285.07611	1.2
285.11194	2.8
295.13251	1.6
299.09076	2.1
313.07150	1.1
313.10632	4.3
313.13803	1.4
327.12347	3.4
345.13449	4.0
346.20831	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.4
55.01859	3.2
65.03934	1.7
67.05482	3.8
70.94968	3.0
70.95300	2.0
72.21365	1.4
72.29004	1.5
77.03976	1.9
77.26804	1.8
78.97449	1.9
79.05475	13.3
81.03407	2.0
81.07053	5.3
83.04964	2.3
91.05476	10.2
93.07055	3.7
94.21458	1.4
95.04984	4.0
95.08619	3.1
97.06512	1.9
102.93619	1.6
103.05460	8.9
104.25614	1.7
104.99298	2.3
105.07021	67.6
106.07379	2.2
107.04951	5.1
107.92568	1.7
109.02875	9.5
109.06513	5.9
109.10166	2.0
111.04418	3.7
115.05470	2.4
117.07011	2.5
119.04912	2.1
119.08621	2.4
121.06510	3.0
122.03621	2.4
124.05198	49.4
124.06062	3.3
131.04909	6.8
133.06488	37.5
134.06804	1.9
135.08076	4.3
137.05971	64.9
137.09605	5.2
138.06293	2.6
139.03899	1.7
141.05457	2.8
143.08632	2.5
145.06500	2.0
145.10139	2.6
147.04398	5.7
151.03903	100.0
151.05011	8.8
151.07550	5.2
153.05460	2.1
161.06068	2.1
161.09605	3.1
163.07564	5.4
165.06985	3.9
165.09108	60.2
166.09415	2.3
167.07097	3.2
175.07562	3.0
175.11282	1.9
177.05486	2.3
181.04956	4.2
181.06476	2.1
181.08643	3.9
183.08051	2.2
191.07014	7.9
193.08508	2.6
194.07324	1.8
195.06532	1.9
197.05969	2.6
201.09090	2.4
203.07016	2.1
207.08134	1.9
210.06676	4.3
211.07486	4.5
225.09039	5.8
227.06949	1.9
229.08871	2.1
238.06282	2.0
240.07458	2.2
242.09317	2.8
243.10085	3.3
252.23254	1.9
253.08675	2.8
267.10266	3.0
269.08124	2.8
270.08823	2.6
285.11212	6.5
287.01730	2.0
295.09650	4.0
299.09064	2.5
303.12192	18.3
313.03354	5.4
313.10736	25.1
314.11414	4.4
315.01324	3.7
327.15912	2.5
330.03748	4.7
345.06128	13.7
345.09668	3.2
345.13138	10.4
345.16934	26.9
345.20822	2.5
345.25037	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.9
55.01860	3.8
55.05520	3.0
57.03441	1.9
67.05492	7.3
69.03410	2.4
69.07056	2.4
69.21046	15.5
79.05498	13.8
81.07056	4.7
91.05463	9.5
93.03448	1.8
93.07053	3.7
95.04980	4.3
95.08604	5.3
98.22611	3.8
103.05460	11.1
104.99238	2.3
105.07026	71.6
105.64462	1.6
107.04964	5.2
107.08568	3.5
109.02852	9.7
109.06504	4.9
111.04460	5.3
115.05511	2.1
117.07040	2.6
117.94427	1.7
119.04935	2.3
121.06499	2.5
122.03649	2.3
123.04453	2.3
124.05207	51.9
125.05995	2.1
131.04929	9.1
131.08589	2.5
133.06477	36.7
135.08058	3.2
137.05974	68.5
137.09621	6.5
141.05505	1.8
145.06490	2.2
145.10191	2.3
147.04387	9.2
147.08038	3.6
149.06038	1.8
151.03902	100.0
151.04993	9.5
151.07556	5.1
152.04250	3.1
153.09154	1.9
161.06084	2.0
161.09647	3.3
163.07581	4.9
165.07047	2.5
165.09116	55.2
167.07062	3.0
167.08580	1.8
175.07565	2.4
177.09021	1.9
177.37677	1.8
179.07076	2.1
181.04970	5.4
182.07326	2.0
183.07974	2.0
191.07045	7.4
196.05165	2.4
197.05922	3.7
197.09697	2.0
209.06053	2.2
210.06731	2.1
211.07570	2.3
217.08618	2.4
223.07681	1.8
225.09079	5.6
227.07162	4.0
229.08533	1.9
232.67525	2.0
235.07489	2.3
235.11349	1.9
238.06053	3.0
239.07022	2.8
240.07991	2.4
243.10144	3.2
254.09282	2.8
261.11218	2.7
267.06433	1.9
270.08774	3.2
271.09607	2.4
285.11246	7.8
295.09793	2.7
299.09164	3.9
303.12289	17.4
313.03433	4.0
313.10779	13.3
314.11554	2.6
315.01282	3.9
327.15930	3.9
330.03723	3.1
345.02234	3.9
345.06042	11.1
345.09769	3.6
345.13159	9.5
345.16928	27.1
346.17426	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1695
Annotation	Laxiflorin J
Peak:m/z	Relative Intensity
55.01869	1.1
63.14507	0.5
65.03930	4.1
69.07069	1.0
69.16649	1.7
69.17068	3.0
77.70757	0.5
79.05505	3.8
81.07055	1.1
91.05479	5.9
93.03408	8.2
94.04188	1.3
95.04979	0.9
103.05438	2.6
105.07030	20.3
106.07333	0.5
107.04958	2.0
108.02097	0.9
109.06470	1.3
110.03661	1.3
111.04446	6.1
115.05469	0.7
117.07009	0.9
119.04937	2.7
121.06508	0.8
122.03656	5.2
124.05220	0.7
125.05993	10.6
128.06232	1.0
131.04967	1.7
131.08554	1.1
133.06490	16.0
134.06792	0.8
137.05974	100.0
138.06284	2.8
141.05435	0.7
143.08546	3.8
145.06499	3.8
145.23772	0.6
147.04379	1.6
147.08051	0.6
149.05925	0.8
151.03914	30.2
151.05008	3.0
151.07532	16.3
152.04268	1.0
153.05469	20.3
159.08084	2.9
160.08842	0.5
161.09547	0.7
162.06744	1.9
163.07564	1.4
165.09114	28.9
166.09480	1.0
171.08076	5.0
175.07520	1.4
177.09077	2.3
179.07040	0.8
181.08594	3.1
188.08311	3.7
191.10713	2.5
193.08629	1.7
203.10667	15.0
221.11719	35.8
222.12085	1.4
235.27457	0.5
241.23494	1.8
275.04468	0.5
284.75085	0.5
285.11438	0.5
295.13275	1.9
307.12894	0.5
313.10657	0.5
327.15805	2.4
345.09869	0.7
345.16965	1.4
356.24615	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1695
Annotation	Chushizisin B
Peak:m/z	Relative Intensity
51.41589	1.0
53.03950	2.5
55.01876	3.9
57.03444	1.5
65.03941	2.5
67.05505	2.5
69.15764	9.2
69.16170	2.5
77.03912	1.6
79.05498	8.9
81.03423	2.0
81.07039	3.0
91.05476	24.5
93.07047	3.0
94.04171	2.1
95.04958	6.1
95.08627	1.6
103.05465	56.9
104.06277	3.4
105.07013	15.4
107.04950	49.1
109.02947	1.7
109.06541	3.5
109.10157	3.1
111.04440	1.5
115.05460	15.5
117.07019	18.8
119.04949	7.6
119.08603	4.8
120.05734	2.3
121.06502	5.7
122.03619	5.9
123.04448	2.1
123.08037	1.4
128.06210	11.7
129.06979	3.5
131.04921	25.4
132.05684	4.9
133.06502	11.7
134.29335	1.3
135.04483	1.4
135.08043	15.1
136.05215	1.5
137.05980	58.6
137.09612	3.4
138.06326	1.7
140.33217	1.2
141.07019	1.3
143.04967	1.6
143.08548	11.6
144.05687	2.3
145.06490	19.0
145.07579	2.1
145.10069	2.4
146.07249	6.3
147.04442	3.1
147.08054	7.4
148.05170	5.5
149.05995	11.0
149.09598	1.4
151.03923	8.4
151.07535	31.0
155.06053	2.1
158.07178	1.4
159.08061	1.8
160.05179	5.0
160.08830	3.5
160.86319	1.3
161.05972	9.9
161.09601	6.2
162.06795	9.7
163.07544	85.3
164.08342	18.0
165.09119	24.6
167.07098	1.3
170.45094	1.3
171.08041	11.3
175.07541	100.0
175.11113	13.6
176.07956	4.5
177.05586	1.8
177.09102	18.9
179.08543	2.2
179.10704	2.6
181.08583	16.1
185.05989	1.4
187.07570	2.9
188.08348	10.2
189.09038	2.4
191.07066	2.5
191.08682	1.5
193.08629	1.3
193.63768	1.2
195.08110	1.2
195.10185	1.5
196.08986	1.6
197.06065	1.3
199.35098	1.3
203.06998	3.0
203.10666	70.5
204.11060	3.8
206.07292	1.5
207.08080	2.9
210.06744	1.3
219.68530	1.2
221.08267	1.6
221.11710	34.3
222.12057	2.6
223.07574	1.9
224.08400	2.9
225.09138	1.5
235.07547	3.8
237.09244	1.8
238.09973	1.6
239.06908	2.4
239.10637	2.5
248.14999	1.3
249.09200	2.6
251.06819	1.4
252.07695	1.8
253.08557	1.8
261.68787	1.2
263.10626	1.5
266.12012	1.4
267.10165	5.0
277.08630	1.6
281.08286	1.6
281.11722	5.5
283.09763	2.3
285.11319	2.1
298.11954	2.4
299.09378	2.9
299.12711	15.4
300.74860	1.3
301.14325	2.7
309.11255	2.0
313.10623	5.6
327.12262	3.1
327.15942	7.5
345.05984	5.7
345.09714	2.4
345.13190	4.6
345.17041	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	345.1697
Annotation	Chushizisin A
Peak:m/z	Relative Intensity
51.20914	1.1
53.03940	3.0
55.01876	2.7
62.00715	1.0
64.45105	1.0
65.03919	1.1
66.70551	1.1
67.05504	3.0
69.14766	9.9
69.15103	1.8
79.05506	8.3
81.03400	1.6
81.07041	2.7
91.05482	21.0
93.07040	4.0
94.04240	1.0
95.04987	3.7
95.08583	1.5
103.05464	52.6
104.06331	2.2
105.07042	12.1
107.04956	51.8
107.08611	2.4
108.05254	1.2
109.02939	1.5
109.06516	4.2
109.10159	1.2
115.05452	13.9
117.07024	17.9
119.04952	6.9
119.08600	3.7
120.05727	1.3
121.06506	7.1
122.03651	1.9
123.08108	1.5
128.06215	10.5
129.07028	2.7
131.04922	28.8
132.05701	4.5
133.06482	10.3
135.08032	12.5
137.05977	53.3
137.09604	4.2
141.06950	1.6
143.04929	3.8
143.08574	11.3
144.05777	1.2
145.06509	14.7
145.07579	1.7
145.10146	2.7
146.07243	5.5
146.72095	1.1
147.04425	3.1
147.08066	6.6
148.05194	6.4
149.05989	10.9
149.09630	1.4
151.03932	9.2
151.07533	29.6
153.04312	1.4
155.06062	2.1
159.08073	2.0
160.05212	5.9
160.08821	3.6
161.06013	7.7
161.09634	5.8
162.06805	9.4
163.07544	92.3
164.08325	14.8
165.07072	1.4
165.09116	23.3
171.08075	9.6
173.06055	1.3
175.07542	100.0
175.11110	14.6
176.07974	3.8
177.09113	14.1
178.07811	1.3
179.06992	1.7
179.08470	1.8
179.10719	3.8
181.06573	1.0
181.07089	1.7
181.08629	14.1
182.43150	1.2
187.07526	1.8
188.08325	10.2
189.09087	2.2
191.08592	1.5
191.10585	1.4
193.08609	1.8
195.08151	1.9
195.10196	2.9
203.07092	2.8
203.07497	2.4
203.10669	69.3
204.11012	3.6
206.07195	1.3
207.08067	3.3
211.07541	1.5
221.09662	1.2
221.11722	32.6
224.08315	2.0
225.09161	1.2
235.07535	4.0
235.11314	1.2
237.09172	1.2
239.10735	3.2
249.09146	1.6
252.07759	1.4
254.49770	1.3
263.10666	2.1
266.09375	1.6
267.10172	4.8
267.13837	1.3
268.07428	1.3
269.08115	1.5
281.11746	6.3
283.09549	2.6
285.11301	1.6
298.11850	2.0
299.12787	15.7
301.14468	2.5
309.11124	2.1
313.10849	2.3
327.12280	2.6
327.15900	5.4
345.06158	2.1
345.13275	4.5
345.16995	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	345.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.3
55.01868	4.4
55.05526	1.3
62.11250	1.3
65.03947	1.3
67.05511	1.2
68.54003	1.0
69.07069	2.0
69.37175	2.8
69.37581	4.5
73.71445	1.0
77.03931	1.3
79.05490	7.4
81.03418	1.6
81.07062	2.8
91.05478	13.5
93.07022	5.4
95.04975	4.6
95.08643	1.7
98.23388	1.8
103.05474	11.4
105.07028	18.2
107.04956	30.3
107.05679	2.1
107.08598	1.7
108.05257	1.4
109.06580	1.3
109.10149	1.6
113.59610	0.9
115.05474	7.3
117.07014	6.4
117.89902	1.0
119.04955	3.8
119.08583	2.7
121.06503	24.0
122.06898	0.9
123.04431	9.8
123.11641	1.1
125.06010	1.7
128.06241	3.1
131.04924	7.6
131.08609	1.0
132.05725	2.3
133.06477	15.4
134.07225	1.0
134.83607	1.2
135.04430	3.0
135.08046	9.2
136.05183	5.3
137.05988	6.9
137.09604	1.8
141.06967	1.0
143.04887	1.4
143.08560	3.9
145.06516	2.5
145.07571	1.3
146.07268	12.6
147.04433	5.9
147.08037	14.1
148.05170	4.7
149.05974	26.0
149.09627	2.2
150.06711	3.7
151.03984	5.6
151.07544	43.8
155.05971	1.0
157.10123	1.2
161.05981	45.1
161.07341	2.2
161.09604	7.1
162.06769	10.8
163.07533	38.0
164.08234	3.4
165.09088	12.1
165.10281	1.1
166.09494	1.0
167.07080	1.6
171.08060	4.1
175.07596	9.1
177.09087	8.9
178.09885	100.0
179.07045	1.7
179.08904	0.9
179.10587	9.6
181.05043	1.1
189.09084	30.1
190.09445	1.3
193.08601	70.3
194.09221	9.1
195.10191	3.9
207.10147	23.3
218.86743	1.0
221.08008	2.2
221.41898	1.0
247.78514	1.1
267.10294	1.2
268.10916	1.5
281.11777	2.6
285.11295	1.1
287.93771	1.1
299.12689	7.4
317.61783	1.0
327.12494	1.3
327.15958	1.9
329.06943	1.0
330.03802	1.3
330.07281	1.6
345.05957	2.5
345.09656	5.1
345.13165	2.3
345.16913	2.5
345.20596	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1695
Annotation	Oleiferin F
Peak:m/z	Relative Intensity
53.03947	2.1
55.01867	3.7
57.69285	2.0
60.10743	2.0
65.03947	1.9
67.05512	4.8
69.03441	3.4
69.15225	15.8
72.84513	1.9
77.03951	2.3
79.05083	1.6
79.05476	9.9
79.55241	1.6
81.03450	3.0
81.07052	6.5
91.05476	32.0
93.07024	4.3
94.04197	3.6
95.04973	5.1
95.08594	3.2
98.22504	3.1
103.05467	64.7
104.05738	1.9
105.07021	25.5
107.04955	24.1
109.06530	7.1
109.10158	6.0
115.05436	22.1
116.33803	1.7
117.07019	24.7
117.07797	2.3
119.04924	13.1
119.08591	5.2
121.06492	15.3
122.03664	7.8
123.04424	7.4
123.08051	4.0
125.06005	3.2
128.06206	26.8
129.06996	2.8
131.04930	39.1
131.08575	4.2
132.05708	3.2
133.06493	23.7
135.04410	6.6
135.08076	7.1
136.05206	8.2
137.05974	100.0
137.09634	6.6
138.06400	2.8
143.04907	4.6
143.08560	34.7
144.05708	2.4
145.06473	28.1
146.07268	17.1
147.04408	9.1
147.08096	12.2
148.05194	12.9
149.05971	12.8
150.06758	5.7
151.03920	20.4
151.04971	2.9
151.07530	77.4
151.08734	4.0
152.07921	3.2
153.05481	2.7
157.06570	1.8
159.07999	3.1
160.05205	8.4
160.08881	4.2
161.05980	61.1
161.09564	10.3
162.06776	17.1
163.07538	74.7
163.08882	4.0
163.71718	1.7
164.08218	4.4
165.05522	3.4
165.06985	2.9
165.09109	63.3
166.09427	2.2
167.07147	1.8
167.08649	2.0
171.08072	30.8
172.08649	2.0
173.06027	2.8
174.06779	6.2
174.23744	2.1
175.07539	79.4
175.11182	7.3
176.07971	3.0
177.09105	43.7
177.10565	3.2
178.09857	12.3
179.08484	4.3
179.10622	20.5
181.08652	3.3
187.07588	3.1
188.08301	13.2
189.09087	50.1
190.09586	2.7
191.07022	2.8
191.10747	2.2
193.08569	12.0
193.12123	1.8
195.08069	3.4
195.10184	2.7
203.10670	58.2
204.11060	3.2
207.08110	4.9
207.10181	9.1
209.09671	3.2
211.07512	2.7
217.12344	2.4
221.06071	2.1
221.08067	3.4
221.11664	18.9
223.07562	3.4
224.08232	4.5
225.09088	2.8
227.07162	2.3
235.07501	7.0
235.11183	4.3
237.09209	3.1
238.09949	3.9
239.10692	4.4
249.09048	3.0
252.07852	4.4
253.08604	4.3
254.09340	2.4
263.10727	2.1
266.09558	2.8
267.10211	8.0
269.08075	3.2
269.11493	2.3
281.11804	7.5
281.14767	2.1
283.09628	3.2
286.12082	2.3
295.13507	2.7
298.12003	6.8
299.12729	29.2
300.12976	2.4
301.14221	6.0
313.07040	2.4
313.10648	3.7
327.12277	4.7
327.15860	26.5
328.16205	2.5
345.09726	6.7
345.13278	4.4
345.16940	33.2
346.17557	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1696
Annotation	Oleiferin F
Peak:m/z	Relative Intensity
51.02392	0.4
51.44431	0.2
52.03180	0.2
52.89251	0.2
53.03951	0.6
55.01869	1.2
59.05005	0.2
63.10923	0.2
63.98700	0.2
65.03942	4.9
67.05493	1.0
69.07069	0.8
69.64209	1.2
77.03912	0.4
79.05495	2.8
80.05822	0.2
81.07043	0.7
83.04973	0.3
91.05476	4.6
93.03402	8.1
94.03681	0.3
94.04193	2.1
95.04972	1.0
97.06524	0.3
98.23241	0.3
102.38506	0.2
103.05464	2.9
105.04510	0.4
105.07028	20.5
106.07360	0.8
107.04950	2.5
108.02091	0.5
109.06500	1.8
109.10161	0.2
110.03664	1.1
111.04443	6.0
115.05460	0.9
117.07030	1.1
119.04930	2.9
119.08591	0.2
120.35260	0.2
121.06508	0.6
122.03645	6.4
123.04459	0.3
124.05212	1.0
125.05988	9.2
128.06223	1.3
129.06999	0.2
131.04948	0.8
131.08524	1.3
133.06488	16.5
134.06828	0.6
135.08031	0.4
136.05202	0.4
137.05972	100.0
138.06302	2.9
141.05479	0.6
143.08554	3.9
144.05721	0.4
145.06476	3.4
145.10104	0.2
147.04425	1.1
147.08035	0.5
148.05177	0.7
149.05991	0.5
150.06796	0.3
151.03911	28.9
151.04999	2.7
151.07532	16.6
152.04254	1.1
152.07907	0.7
153.05464	20.4
154.05824	0.8
159.08063	3.4
160.08739	0.2
161.05946	0.4
161.09644	0.3
162.06767	2.3
163.07520	1.7
165.09113	27.6
166.09450	1.1
171.08057	5.2
172.08783	0.5
173.06035	0.4
175.07533	0.9
177.05511	0.2
177.09093	2.7
179.07056	0.3
181.08604	2.6
188.08315	4.2
189.08951	0.4
191.10664	2.4
193.08714	0.2
193.12231	0.2
203.10666	14.3
204.11028	0.9
221.11719	31.2
222.12109	1.3
235.11284	0.3
239.07043	0.2
253.08673	0.2
259.09564	0.3
263.10623	0.8
267.13504	0.3
295.13263	1.3
313.10629	0.3
327.12415	0.3
327.15915	1.7
345.09586	0.5
345.13300	0.3
345.16937	1.1
345.20526	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03165	0.4
53.03938	0.8
55.01867	1.1
57.03450	0.4
59.04984	0.5
60.38883	0.4
65.03943	4.9
67.05504	0.9
69.07063	0.8
69.97562	1.4
77.03894	0.3
78.78637	0.3
79.05496	3.9
81.07043	1.6
91.05473	5.2
93.03402	6.6
94.04185	2.0
95.04995	1.7
95.08608	0.4
98.22707	0.4
103.05456	3.2
105.07026	22.4
106.07349	1.0
107.04934	3.1
108.02094	0.4
109.06506	1.6
110.03638	0.8
111.04444	6.5
114.26180	0.3
115.05455	0.7
117.07008	1.2
119.04941	3.9
119.08570	0.4
121.06506	0.8
122.03642	5.8
123.08109	0.4
124.05195	1.3
125.05119	0.7
125.05989	9.5
128.06180	1.3
129.06960	0.4
131.04924	1.3
131.08569	1.5
133.06482	16.7
134.06868	0.6
135.04414	0.4
135.08044	0.7
136.05141	0.4
136.10027	0.3
137.05969	100.0
138.06303	3.1
141.05435	0.6
143.08553	3.4
145.06470	3.4
145.10123	0.5
146.35559	0.3
147.04410	1.7
147.07994	0.3
148.05130	0.6
149.05960	0.6
150.06770	0.5
151.03908	29.1
151.04985	2.4
151.07533	17.8
152.04233	1.3
152.07831	0.9
153.05460	21.5
154.05824	0.7
159.08026	3.2
161.05960	1.1
162.06784	2.6
163.07521	1.3
164.08257	0.6
165.09108	33.0
166.09416	0.8
171.08061	4.5
172.08664	0.5
173.05867	0.5
175.07544	1.1
177.09106	3.1
179.07021	0.5
181.08609	3.2
187.07445	0.4
188.08301	4.3
189.09016	1.0
191.06929	0.4
191.10641	2.3
193.08618	0.9
203.10652	16.0
204.11087	0.7
221.11720	32.1
222.12085	1.8
225.08904	0.4
239.61113	0.3
263.10574	0.7
267.10007	0.5
275.12006	0.4
295.13138	1.6
299.12668	0.6
309.10904	0.3
313.10641	0.4
327.12357	0.5
327.15842	1.8
345.13062	0.8
345.16962	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2059
Annotation	Hyperguinone B
Peak:m/z	Relative Intensity
55.05510	4.6
62.12132	0.5
67.05509	2.8
69.03436	1.0
69.07070	8.9
69.15211	3.6
71.04996	0.8
76.11430	0.4
79.05486	2.4
79.38923	0.4
81.07058	8.9
83.01334	2.5
83.08624	1.2
84.96309	0.4
91.05484	1.6
93.07042	8.9
95.04933	0.7
95.08606	1.5
97.10149	2.5
104.03126	0.4
105.07022	1.5
107.08588	7.0
109.10154	5.4
113.06025	1.0
119.08589	0.9
121.06516	3.5
121.10152	1.0
123.08088	0.6
123.11687	2.1
131.08585	1.4
133.06483	0.5
133.10144	0.7
135.08070	2.2
135.11694	7.8
136.81993	0.5
137.05931	0.5
147.08031	0.8
149.05969	0.9
149.09633	2.2
151.07503	0.6
157.10156	0.7
159.08006	2.3
159.11676	0.4
161.09633	1.2
162.06732	2.2
163.07576	3.8
165.09155	0.5
173.09618	1.6
175.07538	1.1
175.11079	0.5
176.08267	0.8
177.05502	0.7
177.09096	7.0
187.07555	2.6
187.11177	0.8
189.09111	2.0
191.07034	5.1
191.10664	1.3
192.07747	3.0
193.08577	2.6
199.11247	0.6
201.09079	1.8
201.12718	0.8
202.09947	0.8
203.10646	1.6
205.08594	29.9
206.08955	1.6
211.09689	1.9
213.09114	1.9
214.09779	0.7
215.10788	1.1
215.14319	0.6
217.08650	1.8
217.12230	2.4
218.09187	0.5
219.06657	0.5
219.10139	3.5
223.09645	21.5
224.09996	0.9
225.12698	1.0
227.10652	1.4
228.11440	1.8
229.08615	6.4
229.12173	2.2
230.09270	0.7
231.10182	3.1
233.11784	0.9
237.11176	2.2
241.12198	0.6
242.09332	0.7
243.10162	3.6
243.13799	2.7
244.10876	1.0
245.11739	9.2
247.09627	3.1
247.13339	1.4
249.11276	1.3
251.12767	0.8
256.10968	1.3
257.11725	1.8
259.13318	2.0
261.11142	1.6
263.12759	10.8
264.13202	1.0
265.14297	2.0
269.11630	0.5
271.13287	16.1
272.13712	1.9
275.12726	1.6
277.14365	0.9
284.14102	0.5
285.14862	1.4
289.14328	21.0
290.14709	1.7
299.19730	0.9
327.19534	23.7
328.19879	1.5
345.20599	100.0
346.20935	9.5
347.45547	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2059
Annotation	Hyperguinone B
Peak:m/z	Relative Intensity
53.03954	1.1
55.05515	5.7
56.37614	0.6
57.03416	0.5
57.07077	4.3
58.06594	0.7
63.40892	0.6
67.05504	3.6
69.03429	1.1
69.07069	9.2
69.25282	4.1
70.06593	7.3
71.04970	1.5
71.08620	1.3
79.05492	2.7
81.07056	10.2
83.01334	3.4
83.08611	2.0
88.07629	9.5
91.05479	3.7
93.07040	9.0
95.04953	1.1
95.08606	2.5
97.06489	0.5
97.10150	3.1
102.09173	6.1
105.07031	2.1
107.08584	9.1
109.06438	0.8
109.10145	6.0
111.11728	0.6
113.05988	1.4
113.63778	0.6
117.07024	0.8
119.08545	1.2
121.06466	3.5
121.10111	1.2
123.04406	1.0
123.08010	0.9
123.11685	2.0
129.07010	0.8
131.08557	1.4
133.10167	1.5
135.08054	3.1
135.11705	5.8
137.05949	2.1
145.06512	0.7
147.04388	1.5
147.07948	1.0
147.11720	0.6
149.05910	1.0
149.09615	2.7
151.03879	2.2
151.07564	1.6
153.80075	0.7
159.08034	3.5
161.05971	1.6
161.09628	0.9
162.06735	1.8
163.07553	4.8
165.09172	0.9
173.09630	1.6
175.07547	1.8
176.08356	1.0
177.05594	0.9
177.09103	7.4
181.08580	0.8
187.07588	2.3
187.11266	1.0
189.09119	2.6
191.07071	4.9
191.10654	1.1
192.07768	2.6
193.08629	6.3
201.09062	1.7
201.12761	0.9
202.09760	0.6
203.07002	1.2
203.10733	1.1
205.08592	32.9
206.08931	1.7
210.10260	0.7
211.09651	1.6
213.09135	1.9
215.06999	0.9
215.10701	1.3
215.14229	0.8
217.08633	1.9
217.12228	2.4
219.10211	4.3
221.08107	1.1
223.09630	22.5
224.10075	1.0
225.12711	1.0
227.10699	1.0
228.11478	1.1
229.08588	7.2
229.12215	2.1
230.09332	1.1
231.10149	2.6
233.11745	1.6
235.09695	0.6
237.11192	3.0
242.09592	0.6
243.10089	3.9
243.13747	1.8
245.11740	6.3
247.09618	3.2
247.13292	1.5
249.11189	1.0
251.12718	0.9
256.10928	1.6
257.11633	1.8
259.09387	0.7
259.13339	1.9
261.11166	1.9
263.12729	4.0
265.14264	2.2
271.13293	14.0
275.12946	1.0
275.16205	0.9
277.14288	1.0
284.13934	1.0
284.29456	16.7
285.14951	1.8
289.11072	1.0
289.14337	18.5
290.14548	1.4
299.20065	1.4
327.19513	25.1
328.19846	2.3
328.32047	1.1
345.20581	100.0
346.20978	8.6
346.33154	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	345.206
Annotation	Hyperguinone B
Peak:m/z	Relative Intensity
53.03936	1.8
55.05507	4.2
57.07071	3.2
65.03934	1.6
67.05502	16.1
69.03427	3.2
69.07073	23.6
69.44421	2.1
69.44837	4.7
71.04986	1.6
77.03933	1.3
79.05497	13.1
81.07056	76.3
82.07370	2.0
83.01344	7.9
83.04948	1.5
88.07632	3.6
91.05477	10.9
93.07047	30.0
94.07330	1.5
95.04985	2.3
95.08591	5.8
105.07015	6.2
107.08589	29.4
108.08929	1.3
109.06532	1.6
109.09428	1.9
109.10156	28.3
113.06010	4.7
115.05464	1.1
117.07011	1.8
119.04923	1.6
119.08566	3.9
121.06490	7.7
121.10146	3.3
123.08088	1.6
123.11700	1.8
125.05954	1.4
128.06204	1.3
129.07005	3.2
131.08554	4.6
133.10153	2.6
135.04410	1.3
135.08051	10.2
135.11688	21.7
137.05980	2.2
139.07521	1.1
145.06436	1.6
145.10092	1.8
147.04391	5.0
147.08041	2.2
149.05992	2.4
149.09593	7.6
151.03914	13.4
151.05016	1.5
151.07523	3.4
157.06543	1.2
159.08073	7.8
159.11662	2.0
160.05186	1.4
161.05971	4.3
161.09581	2.4
162.06732	10.4
163.07538	13.7
165.09096	1.6
173.09615	2.5
174.68359	1.2
175.07553	5.7
176.08344	5.0
177.05487	1.8
177.09094	27.9
179.03386	1.3
179.07019	2.2
181.08611	2.0
187.07568	7.8
187.11179	1.4
189.09099	2.0
191.07024	11.8
191.10667	7.8
192.07806	9.5
193.08591	22.2
201.09068	2.7
201.12474	1.1
203.07133	1.7
203.10661	2.3
204.07813	1.9
205.08594	100.0
206.08936	4.2
211.09633	9.2
213.09090	1.5
215.10707	2.3
217.08533	1.6
217.12285	1.5
219.10193	17.6
219.13727	1.7
221.08049	5.4
223.09642	94.6
224.09995	3.5
225.09061	1.3
229.08604	2.5
231.10176	2.5
232.10669	1.1
233.11729	3.5
237.11217	21.4
242.20624	1.1
243.10162	6.0
243.13773	2.2
245.11685	4.2
247.13269	6.1
251.12769	3.9
257.11612	2.7
259.13351	2.7
261.11194	8.7
263.12766	4.0
265.14343	22.7
271.13245	10.5
272.13324	1.3
275.12863	2.0
277.14444	1.1
284.13950	1.5
285.14828	2.1
289.14328	26.8
289.34232	1.0
290.14545	1.1
294.15268	1.1
295.09781	2.0
298.31088	1.2
303.15790	1.6
327.19519	29.2
327.23013	1.1
328.19800	2.0
345.13409	3.4
345.20584	89.4
346.20938	8.1
346.33047	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	345.2059
Annotation	Hyperguinone B
Peak:m/z	Relative Intensity
53.03954	0.9
55.01889	0.5
55.05507	5.5
57.07071	3.2
59.98321	0.5
60.60480	0.4
67.05510	4.7
68.99790	0.8
69.03413	0.6
69.07066	7.4
69.88419	1.2
69.88805	1.0
71.04987	1.1
71.08615	0.6
79.05495	3.1
81.07055	8.5
83.04980	0.7
83.08603	2.1
85.06531	1.0
91.05480	3.6
93.06446	1.0
93.07041	19.7
94.07380	1.0
95.04958	0.9
95.08611	2.7
97.06522	0.5
97.10172	2.2
105.07026	1.7
107.04935	0.8
107.07935	0.8
107.08601	9.7
109.06500	1.8
109.10158	9.1
111.08050	0.6
117.06976	0.9
119.08573	2.0
121.06499	2.6
121.10169	3.7
123.04415	0.8
123.11671	2.1
127.07517	0.7
131.08548	2.3
133.10121	1.3
135.04436	0.8
135.08061	3.0
135.11693	9.4
137.05942	0.9
137.09592	0.7
141.07031	0.6
145.06367	0.8
145.10161	0.8
146.03510	0.5
147.11670	0.5
149.05972	1.5
149.09599	1.2
151.03860	1.5
151.07510	0.6
153.05528	0.8
159.08044	1.8
161.05873	0.8
161.09532	0.5
163.03912	3.1
163.07552	6.1
163.14789	1.2
165.09108	1.0
167.03423	0.5
173.09587	0.8
173.13322	0.7
175.07535	1.4
177.05467	1.6
177.09065	3.9
177.12669	0.6
181.04939	2.2
187.07550	3.4
188.08208	0.6
189.05447	0.8
189.09073	1.0
191.03294	0.6
191.07030	1.7
191.10667	0.7
191.14322	7.3
192.07951	0.6
193.08557	2.4
201.05687	0.6
201.09084	1.2
201.12727	0.7
203.06984	0.6
203.10732	0.6
205.08597	24.3
206.08911	1.1
211.09615	2.3
215.10741	0.5
217.08592	1.0
217.12192	1.2
219.10185	4.3
223.09651	26.8
224.09979	1.0
227.06909	0.7
229.08578	4.0
229.12245	0.9
231.10068	1.4
233.11769	0.6
235.09438	0.7
237.11201	3.8
237.14911	1.9
242.09531	0.6
243.10165	1.9
243.13731	0.6
245.11833	2.9
247.09615	3.6
247.13292	1.0
249.11162	2.4
251.12515	1.0
256.10550	0.8
257.11621	1.2
259.13315	0.8
261.11212	2.1
263.12756	5.4
265.14355	3.1
271.13275	9.7
275.12766	1.5
275.16299	0.8
277.14343	0.9
285.14746	1.1
289.14340	17.1
290.14713	0.9
303.15912	1.1
309.18488	0.7
327.19534	11.5
327.23352	0.7
328.19785	1.3
339.06085	0.5
345.20532	100.0
345.24072	13.4
346.20831	10.2
346.24399	1.2
346.30975	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2269
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
50.28770	5.4
50.75152	4.6
55.05515	43.4
61.70228	4.6
67.05512	12.1
69.07058	22.6
69.09266	11.8
69.09663	34.2
79.05493	17.0
79.19800	5.0
81.07050	21.6
83.08617	31.1
91.05492	5.5
93.07053	12.6
95.08598	6.6
97.06500	9.0
97.10172	76.0
103.40072	5.5
107.08591	17.9
121.10107	7.6
125.05969	6.3
125.09624	71.8
139.11179	16.8
153.09134	15.6
157.12267	16.6
171.10173	17.8
189.11230	100.0
189.12822	4.3
193.08688	9.1
215.79251	4.8
259.06082	10.3
309.20700	5.9
315.04913	14.2
329.09308	6.8
330.07339	13.2
345.08975	11.5
345.13013	45.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.315
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	23.9
57.07088	10.9
58.75950	5.4
65.03938	4.5
67.05490	19.5
69.07067	44.4
69.27441	16.7
69.27866	19.1
71.05001	5.2
79.05486	8.0
81.07048	42.0
83.08608	20.2
85.06534	58.1
91.05481	100.0
93.07061	26.4
95.08604	49.7
97.10180	7.3
105.07041	17.5
106.26119	4.3
107.08601	25.0
109.10156	29.9
119.08559	18.5
121.10133	14.0
123.11684	16.7
133.10085	7.9
135.11682	11.5
137.13191	6.8
145.10120	6.9
147.11691	24.3
149.13240	88.7
161.13277	7.8
163.14830	7.3
175.14766	10.9
189.16367	5.9
200.48557	4.3
203.17953	14.5
253.82458	5.2
275.17883	4.7
289.58530	5.1
304.65714	4.5
345.31393	11.3
346.30994	40.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34207	7.3
69.80374	39.5
72.08147	17.6
79.05485	11.2
81.03391	8.9
86.09704	25.1
91.05460	17.7
93.07042	18.2
105.07037	15.3
107.04923	15.4
117.07033	10.1
119.08526	10.6
120.99530	8.8
121.06494	19.5
121.10175	9.7
131.08554	91.7
137.05960	100.0
138.06285	56.6
139.03864	12.3
145.10100	36.3
147.07986	12.3
149.09596	10.0
167.07085	9.1
173.09633	13.9
191.10669	31.9
197.22134	9.2
209.11748	7.8
271.92453	9.3
295.74365	9.5
308.28491	8.4
346.02725	10.4
347.12677	24.1
347.16992	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	346.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.5
55.05524	14.4
57.03442	4.3
65.03938	4.4
67.05500	41.5
69.07054	10.6
69.54455	15.2
71.04994	4.3
74.53057	2.8
79.05473	17.7
81.07058	20.4
83.04973	3.1
83.08601	7.4
85.06550	3.7
87.52973	2.8
89.97429	2.8
91.05481	14.6
92.05768	2.5
93.07030	9.3
94.06462	2.7
95.04981	7.0
95.08604	14.8
96.08949	3.5
97.06553	4.8
97.10167	8.3
98.23276	5.3
103.05447	9.6
105.07022	23.1
107.04929	13.3
107.08598	16.4
109.06448	3.7
109.10154	35.5
110.10484	3.1
111.04334	3.3
115.05441	5.3
117.06991	3.8
119.08590	8.5
120.05695	9.6
121.06004	5.8
121.10130	4.8
125.09626	7.7
131.04970	5.6
133.06499	5.8
133.10109	5.4
135.08009	5.8
135.11665	3.7
137.02332	12.8
137.05984	6.7
137.09615	5.7
147.04463	5.1
147.11705	4.3
148.05139	5.0
149.05565	4.8
149.09624	5.6
155.10638	11.8
161.05933	5.5
163.03909	6.2
163.07536	94.4
164.06541	5.9
164.07881	100.0
167.06987	9.9
173.11711	68.7
175.07574	2.7
178.06183	6.9
179.07013	3.5
181.08537	6.6
182.08928	3.2
187.11017	3.1
189.11208	9.3
191.07028	31.8
192.07338	36.7
193.08563	11.5
195.13800	4.4
202.38330	2.8
205.08595	7.7
257.18985	3.0
261.83759	3.0
275.20068	12.7
296.10010	4.0
314.11176	5.1
328.12549	3.3
328.25928	3.3
346.06107	3.8
346.13684	7.0
347.14764	6.4
347.18518	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	346.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	13.0
55.05507	63.5
57.03434	9.4
57.07079	19.5
67.05499	100.0
69.07070	43.5
69.40663	8.1
71.04982	12.9
71.11031	19.1
79.05489	80.7
81.03406	19.8
81.07065	78.0
83.04975	19.6
83.08606	27.5
91.05473	61.5
92.41275	7.7
93.07047	79.3
93.59852	7.9
95.04958	28.1
95.08599	91.0
97.06523	17.3
97.10162	12.6
98.84982	8.6
103.05520	10.8
105.07024	79.1
107.04933	22.4
107.08590	41.1
109.10151	43.1
111.08081	11.3
113.09653	29.0
114.56518	8.2
115.05472	12.3
117.06995	12.4
119.08563	29.7
121.10131	65.8
125.09622	29.3
131.08513	11.9
133.06479	24.4
133.10107	30.7
135.08006	9.1
135.11676	22.0
137.05977	10.2
139.11154	15.8
145.10130	20.5
147.11688	7.8
149.09604	19.9
151.11156	15.8
155.10657	8.7
161.05940	18.0
163.03873	17.0
163.11211	23.2
167.07118	10.1
167.10706	10.9
173.11723	21.9
173.13210	9.2
173.62624	9.6
175.11070	10.5
178.06271	33.9
193.08644	30.3
210.35902	10.0
275.20135	18.9
293.21149	28.3
346.25793	16.5
346.29602	14.2
347.14841	41.8
347.18481	9.9
365.47171	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	346.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	27.9
59.05003	11.1
67.05506	43.5
69.07053	11.8
69.19609	51.6
69.52042	5.2
71.04993	8.4
79.05486	17.5
81.07059	61.3
83.04958	10.4
83.08603	37.9
91.05484	10.5
93.07047	17.1
95.04969	10.5
95.08596	7.7
97.10171	27.6
98.23439	10.2
105.07011	31.6
106.07358	6.7
107.08582	16.3
109.10159	100.0
111.04397	7.5
115.64017	6.2
119.08575	6.3
121.10143	7.7
123.11692	50.7
125.06012	8.1
125.09629	21.9
129.07019	9.1
133.10127	12.6
134.06831	9.2
137.05972	60.4
137.09630	5.9
138.06311	33.6
139.11211	6.3
141.12735	17.8
147.04384	9.6
149.91820	6.1
151.03897	20.9
151.07553	11.2
152.04236	26.2
152.07874	12.8
153.05458	8.6
153.09108	9.6
154.05840	14.9
155.10648	6.7
165.09085	21.5
166.09480	16.3
173.11726	24.5
175.07532	7.1
180.07384	7.4
181.08560	6.3
182.08888	10.4
184.76903	6.3
186.79526	5.6
187.13300	62.5
189.11195	34.9
193.08566	20.0
194.08910	18.8
208.10670	7.5
221.11841	6.4
222.12090	21.9
229.94638	5.5
265.21829	7.4
293.21097	12.1
311.22235	62.5
329.17358	8.9
337.37918	6.4
346.09875	8.2
346.23740	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	347.0738
Annotation	Limocitrin
Peak:m/z	Relative Intensity
59.11137	2.5
67.71918	2.4
69.79978	3.6
69.80383	8.1
70.06562	2.5
79.31638	2.6
84.08137	4.4
101.00874	3.4
119.01950	3.5
123.04417	4.1
143.01903	7.6
185.39668	2.4
292.56152	2.5
347.07547	100.0
347.16650	3.5
348.07266	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	347.0738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08474	2.1
57.89206	2.2
69.47208	7.9
69.97606	2.0
70.42625	1.9
71.12360	2.0
74.68564	2.3
75.83469	1.9
78.27750	2.2
84.08127	5.3
86.09695	2.1
86.61143	2.0
96.36093	2.3
97.02911	2.8
98.09708	3.5
98.97582	4.6
101.00837	3.3
104.49481	2.0
143.01859	3.5
145.03439	2.8
154.89876	2.4
161.03015	2.6
173.02974	2.7
222.24274	2.4
257.01950	3.2
283.64539	2.4
347.07373	100.0
348.07654	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	347.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
55.01868	1.3
55.05505	1.9
56.96562	0.6
57.03433	0.9
65.03934	1.8
67.05494	3.7
68.79479	0.6
69.03418	1.5
69.04969	2.1
69.05387	3.5
69.07066	1.4
71.04989	4.3
77.03899	0.6
79.05490	10.6
81.03419	0.8
81.07034	3.1
83.04970	2.8
91.04913	1.2
91.05473	18.9
93.07035	13.0
94.07342	0.5
95.04950	3.2
97.06525	1.9
103.05460	2.0
105.07027	16.2
107.04944	4.2
107.08596	8.2
109.06530	1.6
111.04478	0.7
115.05424	1.3
116.06232	3.0
117.07030	8.5
118.64817	0.5
119.08591	5.7
120.08849	0.6
120.99583	0.9
121.06493	8.6
121.07298	0.9
121.10130	5.9
122.03692	0.7
123.04411	1.6
123.08081	1.2
125.06011	1.5
128.06255	0.6
129.07005	5.1
130.07814	4.4
131.08560	100.0
132.08905	4.5
133.06473	1.0
133.10133	0.7
135.04385	1.1
135.08046	1.2
135.11668	2.3
137.05988	6.3
139.07555	3.2
141.05438	0.9
143.08562	1.6
145.10117	50.0
146.10440	1.8
147.04419	1.7
147.08035	2.0
147.11671	1.4
149.05984	4.9
149.09618	15.1
150.06697	0.7
151.03876	4.0
151.07532	0.7
153.05447	2.7
162.06813	0.8
163.03903	0.8
163.07504	1.4
163.11174	10.6
164.11578	0.9
165.05438	0.9
165.09137	2.5
167.07054	3.0
173.09587	2.7
175.07544	1.7
177.05367	1.4
181.06487	0.8
181.08646	0.8
191.10657	36.8
192.11067	2.0
193.08517	0.8
209.11707	11.9
284.45236	0.6
329.10556	1.7
347.11722	8.7
348.11932	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.0
55.01857	3.4
57.03420	1.3
60.81637	0.9
67.05518	5.1
69.03411	3.6
69.07069	2.1
71.04994	8.4
71.13751	1.2
73.02887	1.2
78.77232	0.8
79.05489	13.7
79.86160	0.9
81.03380	1.6
81.07051	5.0
83.04990	4.3
91.05478	20.3
93.07047	15.8
95.04951	3.3
95.08598	1.4
97.06536	1.6
103.05447	1.2
105.07028	15.0
106.51059	0.9
107.04931	4.8
107.08584	9.4
109.06496	2.0
115.05422	1.7
116.06252	2.2
117.07021	10.0
119.08591	7.7
120.99525	2.1
121.06506	11.6
121.10138	8.3
123.04420	2.2
123.08083	1.7
125.05971	2.0
128.06226	1.8
129.07025	4.7
130.07787	4.3
130.39871	0.9
131.08560	100.0
132.08868	4.0
135.04404	1.1
135.08012	1.5
135.11638	2.7
136.06241	1.3
136.53030	1.0
137.05960	2.7
137.09648	1.0
139.03833	1.1
139.07556	5.0
141.05357	1.1
143.08508	2.8
145.10114	52.0
146.10495	2.0
147.08014	4.1
147.11661	1.9
149.05971	5.0
149.09618	19.1
150.06627	0.9
151.03879	1.1
151.07570	1.7
153.05453	2.6
155.07065	0.9
161.09613	1.2
163.07458	1.1
163.11165	12.9
164.11523	1.0
165.09084	4.3
167.07074	2.1
173.09596	5.9
175.41930	0.8
177.05447	0.9
178.06227	1.5
181.06418	0.9
189.09076	1.0
191.10655	36.7
192.11017	2.4
203.05176	1.3
207.10205	1.1
209.06023	1.4
209.11697	17.6
210.12154	1.4
249.47169	0.9
258.08853	1.0
272.10413	2.3
273.11221	1.1
301.12527	3.6
311.03922	0.9
329.10480	3.7
347.07629	1.3
347.12323	8.1
347.16888	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.6
55.01870	0.9
55.05485	1.5
57.03421	1.0
63.79266	0.6
65.03935	0.8
67.05508	2.4
69.03424	2.8
69.07036	1.6
69.73949	2.8
71.04993	4.1
79.05486	8.9
81.03403	1.0
81.07057	3.0
83.04961	1.7
85.02888	1.3
91.05471	18.4
92.05791	1.0
93.07039	12.4
95.04960	3.0
95.08605	0.5
97.02884	0.7
97.06509	1.9
98.22644	0.7
99.04436	0.8
103.05448	1.1
105.07024	13.0
106.27471	0.5
107.04955	3.6
107.08592	8.2
109.06503	1.7
109.90346	0.5
115.05441	2.1
116.06235	2.3
117.07016	7.7
118.10198	0.5
119.08569	5.0
121.06507	8.7
121.10142	5.3
123.04392	1.2
124.95354	0.5
125.05990	1.6
129.06998	4.8
130.07779	5.1
131.08556	100.0
132.08891	4.4
135.04420	1.1
135.08031	1.1
135.11684	2.2
136.87308	0.6
137.05959	2.2
139.07521	3.3
141.05440	1.1
141.06990	0.6
143.08553	1.5
145.10112	48.9
146.10432	2.1
146.11508	0.5
147.08052	2.1
147.11629	0.6
149.05983	5.7
149.09605	16.5
150.09953	1.0
151.07462	2.8
153.05475	1.8
153.06978	2.7
163.07610	0.7
163.11183	8.9
165.09129	2.1
167.06950	2.5
167.10570	0.7
167.69327	0.5
169.06427	0.7
173.08337	0.5
173.09555	2.8
175.07419	0.6
181.06448	3.5
185.04257	0.9
185.07838	5.5
188.39590	0.5
191.10652	35.1
192.10997	1.4
197.05994	1.8
198.06734	0.6
203.05276	5.0
209.05984	1.3
209.11703	11.3
210.12126	0.7
211.07629	1.4
213.09143	2.2
217.72911	0.5
225.05469	1.1
241.08687	2.4
258.08890	4.8
271.09616	0.8
272.10406	8.8
273.11066	3.9
285.13147	3.1
301.12549	32.9
302.13037	1.7
329.10327	1.0
347.13135	42.3
348.13528	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	347.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92838	0.6
58.99855	0.8
67.05492	1.7
69.03403	1.7
70.06583	2.0
70.99854	1.2
71.30910	0.8
77.00899	0.7
82.99799	2.9
83.54617	0.6
84.08150	1.1
85.02907	4.0
91.03945	0.6
92.17855	0.6
97.02876	0.9
98.97562	1.0
101.00880	23.2
102.00954	1.1
103.02468	0.9
112.45532	0.7
113.00858	2.6
113.03488	14.9
119.01922	27.0
120.01977	1.4
123.03525	0.8
123.04430	15.5
127.02470	0.6
127.03963	1.0
131.01892	6.6
133.03477	1.4
136.06181	1.6
137.02985	2.1
139.03870	1.2
143.01895	100.0
144.01982	6.0
145.03433	2.5
146.22752	0.7
147.04407	0.8
151.03906	3.4
155.01878	4.4
161.02957	99.4
162.03087	6.1
167.05524	0.6
168.06613	1.1
169.04796	4.2
169.06190	4.5
170.55463	0.6
173.02994	3.4
173.06538	0.8
174.97679	0.7
175.04637	0.7
177.01932	0.8
184.04581	2.6
185.03015	1.1
185.06622	4.3
185.09151	2.9
197.06590	3.9
203.04004	49.9
204.04222	3.9
209.06593	0.8
215.06668	3.4
221.01744	1.1
221.05057	10.6
227.07634	4.1
245.01793	1.6
257.01761	1.1
263.02911	0.7
275.02768	0.9
287.09756	22.2
288.09967	2.3
305.00513	1.1
305.10828	7.5
306.11032	0.8
347.12366	9.4
347.16788	6.2
347.22760	0.7
348.07089	0.7
348.12579	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03868	0.7
58.42531	0.9
69.03433	0.9
70.00920	3.1
74.71134	0.7
79.05476	1.1
79.12210	0.8
90.32269	0.7
91.05453	4.9
96.25652	0.8
96.98683	0.8
105.07018	2.6
116.06185	0.9
117.07018	1.5
119.08537	1.0
121.06493	1.2
125.05927	0.8
129.07021	1.5
130.07825	1.1
131.08566	22.6
132.08926	1.0
136.06194	2.4
143.01889	1.8
145.10135	6.1
149.09624	2.6
151.03914	1.2
161.02977	2.4
163.11259	1.2
185.07854	3.7
191.10667	5.5
203.05348	2.0
213.35449	0.8
234.12328	1.5
261.26593	0.8
285.13052	17.6
286.13181	1.3
287.10928	2.1
347.13095	100.0
348.13361	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	347.1311
Annotation	Nordercitin
Peak:m/z	Relative Intensity
51.34394	0.6
67.05511	0.8
69.03423	0.7
69.53079	4.9
79.05502	1.1
85.74252	0.8
91.05463	2.6
93.07055	1.6
94.26380	0.9
95.01291	1.0
98.23293	1.0
104.84386	0.8
105.07056	1.5
107.08565	1.5
113.03463	2.2
117.07009	1.7
119.08573	1.0
121.06483	1.4
131.08565	12.1
136.06204	2.6
137.05959	1.0
145.10126	3.4
149.09608	1.9
183.79617	0.7
185.07883	3.2
191.10680	2.9
203.05261	3.2
241.48546	0.8
280.72308	0.8
285.13055	13.5
287.10971	4.1
347.13104	100.0
348.13339	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	347.1312
Annotation	Nordercitin
Peak:m/z	Relative Intensity
55.01892	0.5
67.05505	1.2
71.04996	0.7
76.16659	0.4
79.05492	0.8
81.03449	0.4
81.07060	1.1
82.57498	0.4
83.04987	1.0
85.02882	0.9
85.06550	1.2
91.05495	1.4
93.07014	0.9
95.04965	0.6
95.08623	0.6
97.06525	0.7
98.23369	0.9
105.07024	0.7
107.04973	0.9
117.07076	0.5
121.06552	0.7
123.04443	0.9
131.08569	2.3
137.05963	0.7
139.07480	0.5
139.08452	0.6
145.10150	1.6
149.05894	0.8
149.09608	0.7
151.07536	0.9
158.97411	0.5
167.07001	0.7
167.10690	0.8
179.62985	0.4
185.08083	0.4
185.11673	0.8
186.11253	0.6
189.89061	0.5
191.10715	1.2
203.05180	0.5
204.55986	0.4
209.11723	0.5
228.83176	0.4
234.99089	2.1
272.10425	0.7
285.49823	0.4
294.26776	0.4
299.06039	0.6
301.12628	1.6
302.07156	0.6
329.06717	0.5
347.13074	100.0
347.16818	30.9
348.13437	5.9
348.17172	1.7
357.71497	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1313
Annotation	Nordercitin
Peak:m/z	Relative Intensity
55.01871	1.0
57.03436	1.8
59.04986	1.0
61.02957	1.7
64.55493	1.0
67.05475	1.2
69.03423	4.5
69.07063	1.2
70.85170	1.8
71.05000	1.5
79.05489	3.3
81.03407	1.5
81.07056	2.9
85.02917	7.1
85.06541	2.3
91.05476	9.3
93.07037	4.1
95.04964	1.7
97.02898	3.4
102.79770	0.9
103.05435	0.9
105.07038	3.6
107.04955	1.9
107.08619	3.0
109.02882	2.1
109.06576	1.0
117.07023	3.1
119.04971	4.4
119.08559	2.1
121.06509	3.4
121.10145	3.9
122.07004	1.0
123.04456	2.7
125.05992	2.1
127.03918	1.9
129.07011	1.9
131.08560	22.1
132.08929	1.2
133.06541	1.4
136.05206	1.1
136.06273	1.1
137.05972	1.4
145.10130	10.9
149.05997	3.7
149.09639	3.0
151.07542	29.6
153.05505	1.7
153.07004	2.9
163.03870	1.3
163.11250	2.2
165.09146	1.7
167.06889	6.0
169.08580	1.7
181.06511	3.6
185.04262	3.0
185.07919	13.2
185.11740	1.9
187.07637	1.1
191.10684	7.6
193.05025	1.5
197.05951	1.2
203.05302	12.4
203.07011	1.6
207.04504	1.2
209.11578	2.3
211.07477	1.8
213.09184	2.3
216.08812	1.3
221.92554	0.9
233.08139	2.9
234.09137	1.1
240.07913	1.1
241.08647	2.7
256.10623	1.0
258.08908	5.4
272.10419	6.7
273.11267	4.6
285.13052	6.5
301.12585	77.6
302.12939	4.9
329.10416	1.8
347.13132	100.0
347.16632	7.6
348.13501	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	347.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35780	6.8
55.01871	5.4
59.30536	5.9
60.04520	7.8
69.03429	17.9
71.32708	9.9
79.05491	7.6
79.94804	5.0
81.07026	10.8
85.02905	11.9
91.05441	7.6
93.07041	13.1
95.04966	10.3
97.02905	7.5
108.15809	6.0
110.03609	6.4
111.22588	6.3
120.93244	6.7
121.06430	6.8
121.10126	18.8
125.05976	36.8
127.03921	10.8
131.08543	16.4
137.05954	20.1
139.03882	10.0
151.03899	20.1
153.05479	58.3
154.06236	22.4
155.03456	8.1
165.05486	7.5
166.25082	5.3
170.05739	44.9
178.04967	6.9
182.15739	5.5
185.08112	100.0
222.39919	6.4
329.10535	6.8
348.14029	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	347.1333
Annotation	3,4,5-Trimethoxyphenyl beta-D-glucopyranoside
Peak:m/z	Relative Intensity
56.44329	4.0
56.98916	4.3
60.04533	4.7
69.47859	19.4
69.48264	8.4
72.50909	4.2
85.02927	8.9
106.06667	5.5
110.03681	11.3
125.06013	30.1
128.53937	5.2
137.05739	4.9
139.03844	10.4
151.03894	12.8
153.05449	55.4
154.06168	15.1
170.05797	32.9
185.08107	100.0
218.79300	4.2
346.73660	4.4
348.14166	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	347.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.3
55.01871	10.5
55.05496	1.9
57.78328	1.4
61.42226	1.5
63.49565	1.3
65.03942	2.4
67.05522	2.7
68.99780	2.6
69.03444	2.3
69.25138	11.4
69.88786	1.4
77.03931	1.6
79.05486	11.4
81.03416	2.3
81.07076	9.0
82.33276	1.6
85.02876	2.3
91.05478	36.7
93.07048	11.7
95.04956	9.5
95.08598	2.2
103.05469	100.0
104.06292	4.1
105.04528	2.4
105.07044	15.1
107.04955	19.9
107.08608	2.6
109.02866	2.6
109.06514	5.5
109.10104	2.1
111.04462	5.1
115.05467	4.1
117.07027	4.7
119.04942	30.7
121.06507	35.7
121.10160	2.6
122.03661	2.4
123.04421	14.6
128.06256	2.5
129.07001	3.8
131.04926	42.4
131.08591	4.6
132.05786	3.4
133.06490	12.5
135.08063	11.1
137.05974	75.3
138.06326	2.6
139.03906	9.4
143.04892	2.6
144.05731	2.2
145.06523	4.9
147.04410	34.2
147.08075	3.8
148.05190	2.2
149.05977	97.9
150.06377	3.3
151.03917	1.9
151.07541	14.8
153.05487	6.0
153.07005	1.6
157.06482	3.3
159.04391	1.9
159.08057	12.4
161.05997	7.4
163.03806	2.1
163.07553	27.1
164.04695	4.4
164.08336	91.4
165.05482	77.4
165.06667	3.1
165.09120	22.4
166.05913	3.0
167.07045	27.0
167.08459	1.6
169.06546	2.2
169.10262	1.4
171.08014	1.5
175.07516	12.8
177.05466	58.0
178.05846	1.9
179.07051	15.8
180.07806	1.8
181.07083	2.6
181.08589	17.0
183.06561	8.3
185.08235	2.2
185.11507	3.1
187.07541	26.5
189.09106	2.2
191.07010	9.3
193.08612	2.3
195.06425	1.8
195.08083	2.9
203.77995	1.4
205.06696	2.5
205.08607	49.2
205.10457	2.8
209.08078	26.9
209.09903	1.4
223.07567	2.7
223.09613	22.9
223.11488	2.1
225.05646	1.6
269.08264	2.4
271.09537	2.2
297.11224	1.6
301.10757	17.2
303.12317	3.0
329.10382	3.1
329.13974	4.8
329.21106	1.6
347.12454	3.6
347.16809	96.4
348.17206	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	347.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25744	1.4
55.01873	2.6
55.05527	2.2
55.88154	1.6
57.03430	7.4
57.81733	1.3
59.04979	1.6
60.24173	1.5
64.64735	1.9
65.03938	1.8
67.05512	3.1
69.03432	2.9
71.05002	4.1
75.04485	2.4
79.05492	7.2
81.07049	4.2
85.02892	3.6
91.05482	22.7
93.07053	4.6
95.04961	5.6
95.08624	1.9
97.02883	4.7
99.04469	3.0
103.05488	2.2
105.07011	9.0
107.04939	3.2
107.08587	3.1
109.06528	2.5
115.05477	2.2
117.07035	4.5
119.04934	3.6
119.08620	2.7
121.06500	18.8
121.10134	7.4
123.04441	5.1
123.11687	2.6
125.05985	4.4
127.03941	2.4
130.07727	2.0
131.04932	1.9
131.08556	37.6
134.03580	1.9
135.04404	3.9
136.06175	2.6
137.05975	20.2
139.03984	2.4
139.11180	1.8
141.06972	3.9
143.04823	1.8
143.08507	2.1
145.10110	21.0
149.05959	28.8
149.09563	8.8
150.06665	2.6
151.03922	5.3
151.07538	26.8
152.06233	7.4
153.05586	3.8
153.06976	32.5
155.08505	2.9
156.61105	1.8
163.03938	1.8
163.07529	2.5
163.11183	4.1
165.07039	5.9
167.03423	1.8
167.06911	3.1
167.08511	2.0
167.10690	2.7
168.05743	2.6
169.06454	12.3
170.07207	3.8
175.07564	4.5
179.07097	2.2
180.05722	3.1
181.06467	38.3
182.07185	2.6
183.08061	3.8
185.07996	7.3
185.09604	2.1
187.07422	3.3
191.10661	16.4
195.08119	4.6
196.05246	5.0
197.05975	20.4
198.06795	8.7
199.07397	2.8
203.05330	6.5
207.04442	12.6
209.06024	10.1
209.11763	6.0
211.07526	20.0
213.09090	27.4
213.11064	2.1
214.09453	2.2
215.07050	3.5
219.08090	2.1
223.07536	2.9
225.05446	9.1
226.06155	2.1
227.07085	3.2
227.10884	3.0
229.08624	3.8
239.07031	7.4
240.07846	1.8
241.08540	34.3
242.09120	3.7
243.06693	2.7
255.10211	4.6
257.08200	3.0
258.08862	75.7
259.09305	5.2
267.10236	2.0
270.08887	1.8
271.09686	10.3
272.10410	100.0
273.11145	51.8
274.11618	2.9
285.13385	2.6
301.12567	46.8
311.12726	2.2
314.11536	4.2
347.09543	3.2
347.13120	56.0
348.13635	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	347.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25744	1.4
55.01873	2.6
55.05527	2.2
55.88154	1.6
57.03430	7.4
57.81733	1.3
59.04979	1.6
60.24173	1.5
64.64735	1.9
65.03938	1.8
67.05512	3.1
69.03432	2.9
71.05002	4.1
75.04485	2.4
79.05492	7.2
81.07049	4.2
85.02892	3.6
91.05482	22.7
93.07053	4.6
95.04961	5.6
95.08624	1.9
97.02883	4.7
99.04469	3.0
103.05488	2.2
105.07011	9.0
107.04939	3.2
107.08587	3.1
109.06528	2.5
115.05477	2.2
117.07035	4.5
119.04934	3.6
119.08620	2.7
121.06500	18.8
121.10134	7.4
123.04441	5.1
123.11687	2.6
125.05985	4.4
127.03941	2.4
130.07727	2.0
131.04932	1.9
131.08556	37.6
134.03580	1.9
135.04404	3.9
136.06175	2.6
137.05975	20.2
139.03984	2.4
139.11180	1.8
141.06972	3.9
143.04823	1.8
143.08507	2.1
145.10110	21.0
149.05959	28.8
149.09563	8.8
150.06665	2.6
151.03922	5.3
151.07538	26.8
152.06233	7.4
153.05586	3.8
153.06976	32.5
155.08505	2.9
156.61105	1.8
163.03938	1.8
163.07529	2.5
163.11183	4.1
165.07039	5.9
167.03423	1.8
167.06911	3.1
167.08511	2.0
167.10690	2.7
168.05743	2.6
169.06454	12.3
170.07207	3.8
175.07564	4.5
179.07097	2.2
180.05722	3.1
181.06467	38.3
182.07185	2.6
183.08061	3.8
185.07996	7.3
185.09604	2.1
187.07422	3.3
191.10661	16.4
195.08119	4.6
196.05246	5.0
197.05975	20.4
198.06795	8.7
199.07397	2.8
203.05330	6.5
207.04442	12.6
209.06024	10.1
209.11763	6.0
211.07526	20.0
213.09090	27.4
213.11064	2.1
214.09453	2.2
215.07050	3.5
219.08090	2.1
223.07536	2.9
225.05446	9.1
226.06155	2.1
227.07085	3.2
227.10884	3.0
229.08624	3.8
239.07031	7.4
240.07846	1.8
241.08540	34.3
242.09120	3.7
243.06693	2.7
255.10211	4.6
257.08200	3.0
258.08862	75.7
259.09305	5.2
267.10236	2.0
270.08887	1.8
271.09686	10.3
272.10410	100.0
273.11145	51.8
274.11618	2.9
285.13385	2.6
301.12567	46.8
311.12726	2.2
314.11536	4.2
347.09543	3.2
347.13120	56.0
348.13635	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	347.1488
Annotation	1,7-bis(3,4-Dihydroxyphenyl)-5-hydroxy-3-heptanone
Peak:m/z	Relative Intensity
51.02378	1.5
53.03943	4.0
55.01872	1.6
57.03426	1.1
65.03948	1.7
67.05499	2.7
69.03451	1.2
69.07063	2.0
71.04987	1.2
73.63672	0.9
77.03938	1.9
79.05488	14.2
81.03427	1.3
81.07045	6.8
82.04202	1.6
83.08590	0.8
85.02911	2.4
87.19992	0.7
87.48022	0.8
91.05474	20.7
93.07053	6.2
94.04189	2.8
95.04970	6.2
95.08604	1.5
97.06534	3.0
103.05461	77.1
104.05756	1.8
105.03374	1.6
105.04523	2.4
105.07048	4.9
107.04947	17.6
107.08603	2.5
109.02880	1.5
109.06509	15.9
110.03696	1.0
111.04417	2.2
112.87158	0.8
115.05462	1.8
117.07026	3.5
119.04942	14.3
119.08574	1.0
121.06503	13.0
122.03634	5.1
123.04457	3.9
123.08065	1.5
125.05990	19.3
129.06981	1.9
131.04921	30.1
131.08556	2.8
132.05675	1.6
133.02843	1.8
133.06479	4.4
133.10155	1.0
134.03571	0.9
135.04391	12.2
135.08049	4.0
136.05186	5.6
137.05968	100.0
138.03151	2.7
138.06340	3.9
139.03911	3.2
145.06433	5.0
147.04396	14.8
147.08031	1.5
148.05185	3.4
149.05966	25.2
149.09612	1.1
149.13211	1.0
150.06706	1.5
151.03932	5.2
151.07526	20.3
152.04697	3.0
153.04224	2.2
153.05464	41.1
154.05801	1.7
155.07037	6.8
157.06490	1.2
159.08086	2.6
161.05992	7.9
162.06364	1.0
163.07533	16.8
164.08319	31.1
165.04060	1.4
165.05467	28.9
165.09091	4.9
166.05754	1.2
167.07037	39.3
167.08492	2.0
167.14354	2.7
168.07304	2.3
173.05974	4.3
175.07587	2.0
177.05463	7.5
177.09114	6.2
179.07008	10.0
180.07762	1.7
181.08554	2.1
183.02948	2.5
183.06519	48.0
184.06891	1.1
187.07539	4.2
189.09131	1.3
190.06255	5.6
191.06998	10.9
192.07541	0.9
195.08063	1.4
195.10020	1.1
205.08589	52.6
206.08922	2.2
209.08066	20.7
209.10007	1.2
210.91277	0.9
223.09572	6.8
228.78624	0.9
251.10570	1.1
254.91365	0.9
279.09915	1.3
295.79715	1.1
297.11261	1.2
301.03525	1.5
311.12732	2.8
329.10269	1.7
329.13806	27.5
330.14276	2.5
332.05249	4.7
347.07611	16.3
347.11142	1.4
347.14609	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	347.1487
Annotation	CHEMBL1668115
Peak:m/z	Relative Intensity
53.03941	5.3
55.01876	7.0
55.05514	1.8
57.03423	1.7
59.68742	1.3
65.03937	5.6
67.05497	3.8
69.03430	4.3
69.43177	5.9
69.43586	2.6
71.05028	1.8
77.03931	2.0
78.04723	2.2
79.05493	22.8
81.03416	2.2
81.07056	5.2
83.04996	1.6
91.05476	37.6
93.07030	16.3
94.04198	2.7
95.04963	13.5
95.08622	3.1
97.02866	1.8
103.05451	16.9
105.03362	2.6
105.04519	2.6
105.07021	12.6
106.04153	1.8
107.04946	40.5
107.08618	2.3
109.02888	2.4
109.06497	3.3
109.10152	2.3
111.04456	3.3
115.05441	5.9
116.06213	1.6
117.07032	7.0
119.04951	8.2
119.08518	7.2
120.05758	3.5
121.06499	37.4
121.10128	5.4
122.03635	3.5
123.04416	26.8
123.08053	1.9
124.05245	8.9
125.05994	4.8
128.06218	13.7
129.07001	43.7
131.04918	10.0
131.08563	14.6
132.05658	1.6
133.02858	5.7
133.06497	6.2
135.04445	8.0
135.08055	3.9
136.05159	2.2
137.05969	53.3
138.03091	3.1
138.06593	1.8
139.03932	2.6
140.04703	3.2
141.05501	1.6
141.06978	2.7
143.04897	2.7
145.06427	7.9
147.04402	58.6
147.08026	19.5
148.04916	2.6
149.05974	37.6
149.07161	2.5
150.06700	2.9
151.03905	25.7
151.05028	3.1
151.07526	11.9
152.04639	5.0
152.06194	3.9
153.05464	23.4
153.06931	6.4
154.07703	2.0
155.05942	1.7
155.07133	3.7
155.08521	1.6
157.06462	24.7
159.08051	2.6
160.05223	4.1
161.05983	13.8
163.03925	2.7
163.07530	12.7
165.05463	10.0
165.06999	9.9
166.06252	11.1
166.07574	2.9
167.07042	93.1
167.08472	7.0
168.07381	3.2
169.06386	2.6
170.07266	1.7
173.05991	3.6
175.07530	100.0
176.07910	4.6
177.05539	3.1
177.07005	5.0
177.09151	3.9
177.49715	1.3
178.02568	1.6
179.07024	9.4
179.08617	5.1
180.05702	2.1
180.07790	10.4
181.04980	3.9
181.06531	9.3
181.08588	88.8
181.83566	1.4
182.07294	4.9
182.08943	2.9
183.08054	4.7
185.06012	2.2
189.06990	2.1
189.09094	5.7
190.07774	2.3
191.07019	2.6
191.08606	4.2
193.04919	4.9
193.06589	3.0
193.08575	15.6
194.07259	5.5
194.30476	1.5
195.08031	15.5
196.08670	2.3
197.05983	5.5
197.09583	6.0
198.06734	6.2
199.07469	2.4
205.06480	1.9
207.08121	4.3
207.10054	1.9
208.05222	1.8
208.08780	3.0
209.05975	5.9
209.07828	1.8
210.06760	5.1
211.07544	9.3
213.05441	4.9
213.09105	4.9
215.10646	1.8
219.08052	5.5
221.05891	4.3
222.06834	4.4
223.07538	11.9
223.11115	2.0
225.05534	3.1
225.09088	5.6
226.06230	8.3
227.06920	3.9
228.07887	1.7
235.07475	3.0
236.04727	2.3
236.08252	3.3
237.05594	3.5
237.09145	6.6
239.07025	8.3
239.10622	1.8
240.07748	3.6
241.04929	1.7
241.08513	10.8
243.06554	2.4
243.10033	7.4
247.07498	2.6
251.06943	7.6
251.10664	7.1
253.08455	7.2
254.05679	3.2
254.09427	1.8
255.06754	3.0
255.10146	4.1
256.07269	2.9
257.11749	2.6
265.08563	3.3
268.07285	3.3
269.08148	8.7
269.11722	4.3
270.08945	3.0
271.06284	2.8
271.09619	17.7
272.10089	2.6
273.18561	1.8
279.10150	4.3
283.06992	1.7
283.10120	8.9
283.13388	5.4
285.07892	2.0
285.11285	5.4
285.97849	1.5
286.08279	2.6
288.09888	7.3
297.07834	3.6
297.11209	9.2
298.17111	1.7
299.09091	5.7
300.09805	2.0
301.10660	32.9
301.14124	2.2
303.12119	7.9
311.09500	11.0
311.12952	1.7
315.12158	2.0
317.13849	2.5
329.10632	13.6
329.13971	7.8
330.11328	2.2
332.01666	1.9
347.03836	2.3
347.07538	6.9
347.12167	12.7
347.15329	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	347.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84441	2.3
52.93774	2.0
53.03943	6.0
55.01873	5.4
65.03925	3.2
66.86545	1.8
67.05503	4.2
69.03429	6.1
69.20746	2.1
69.64695	8.5
71.04987	3.3
79.05492	23.0
81.03408	5.2
81.07043	6.3
85.02900	3.2
85.06528	2.5
87.16526	2.1
91.05473	39.6
91.72372	1.9
93.07037	17.7
95.04966	16.0
95.08610	1.9
97.02896	2.6
98.22638	3.7
101.77672	2.0
103.05466	13.4
105.03414	2.7
105.04508	3.1
105.07031	8.5
107.04953	43.9
107.08588	3.3
109.02863	4.7
109.06530	3.2
110.03672	2.4
115.05445	5.0
116.47880	1.9
117.07016	5.3
118.04159	2.0
119.04921	10.0
119.08577	9.3
121.06503	32.5
121.10155	2.2
123.04432	21.5
123.08014	2.3
124.05203	8.9
128.06235	10.0
129.07001	30.7
131.04942	7.7
131.08559	9.9
132.05690	2.2
133.02837	5.9
133.06500	7.0
133.10141	2.1
135.04419	7.7
135.08089	3.2
136.05171	2.2
137.05969	32.1
138.03157	3.1
140.04665	3.1
141.07001	2.8
143.08548	2.7
144.05765	2.4
145.06494	7.3
147.04408	57.8
147.08060	18.0
148.05029	2.5
149.05983	31.0
151.03877	7.0
151.07571	9.0
152.04691	6.0
152.06213	3.5
153.05475	20.9
153.06979	5.7
155.05989	2.1
155.07132	2.8
157.06465	22.6
159.08052	3.7
160.05232	4.8
161.06015	11.4
161.09671	2.5
163.07562	15.1
164.10779	2.3
165.05478	7.6
165.06993	12.3
166.06322	9.6
166.07629	3.0
167.07054	91.4
167.08493	8.1
168.07387	2.4
169.06483	3.2
170.07295	2.2
171.07951	2.3
173.05981	2.7
175.07541	100.0
176.07939	2.8
177.05431	3.0
177.06931	5.5
177.09134	3.4
179.07054	8.1
179.08463	2.0
180.07790	12.5
181.05138	2.3
181.06548	10.1
181.08586	73.0
182.07246	6.8
182.08897	2.8
183.08095	4.4
186.09195	2.6
187.07542	4.4
189.09109	5.2
190.07758	3.1
190.09727	2.7
191.08524	5.9
193.06653	4.4
193.08627	12.6
194.07304	2.8
195.06593	2.0
195.08031	12.3
197.05966	6.4
197.09586	6.1
198.06818	4.9
199.07549	4.4
205.06508	2.2
205.08400	2.9
207.08139	2.7
207.10138	3.8
208.08775	6.1
209.06001	5.8
209.09486	3.4
210.06686	6.2
211.07570	9.5
212.08080	2.9
213.05467	3.3
213.09009	4.2
219.08081	5.9
221.06075	3.9
221.09630	2.7
222.06816	2.9
223.07489	13.5
223.11098	3.3
225.05574	2.0
225.09148	6.8
226.06256	6.9
227.07005	4.2
227.30750	2.0
228.07864	2.4
233.05565	2.0
235.07674	2.9
236.08186	3.4
237.05460	4.3
237.09099	7.2
239.07056	7.1
240.07635	4.6
241.04846	3.3
241.08498	10.0
243.10257	7.6
247.07607	4.4
251.07002	7.9
251.10724	5.1
253.05052	2.4
253.08540	4.8
254.09464	2.5
255.10187	4.4
257.11777	4.4
265.08646	4.9
267.06714	2.3
269.08035	10.3
269.11859	4.2
270.08716	2.7
271.06714	2.9
271.09589	14.4
273.11349	3.2
283.09686	8.1
283.13043	4.4
285.11063	4.5
288.09958	6.1
293.11734	2.5
297.11197	8.8
300.09760	2.2
301.10718	25.5
303.12314	7.6
311.12680	2.8
314.11551	2.3
315.12256	2.3
329.10645	3.9
329.13876	14.7
343.41785	2.0
347.12128	32.7
347.16519	19.3
351.86667	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	347.1488
Annotation	Metasequirin D
Peak:m/z	Relative Intensity
51.02356	0.5
53.03908	0.7
55.01874	4.3
57.03387	2.0
65.03899	0.9
65.29311	0.4
67.05471	1.2
68.84183	0.4
69.03350	3.7
69.03768	1.9
73.69009	0.4
77.03907	0.7
79.05504	3.4
81.03353	1.6
81.06997	1.2
85.02919	3.2
90.39300	0.4
90.78873	0.4
91.05484	8.8
92.99701	0.7
93.03342	1.2
93.07019	1.0
94.04134	1.0
95.04910	1.9
97.02851	1.0
103.05477	14.7
105.03352	0.6
105.07032	10.5
107.04377	0.4
107.04950	3.9
109.02823	1.7
109.06508	2.9
113.05957	1.8
115.04667	0.6
115.05452	11.3
117.06955	1.7
119.04948	3.8
119.08545	1.1
121.02833	0.9
121.06461	1.5
122.03640	3.0
123.04421	4.0
125.05970	1.0
128.06200	3.0
129.06126	0.4
129.07008	7.8
131.04936	10.8
131.08571	3.1
132.05693	0.5
133.06497	6.5
135.04358	1.9
135.07996	0.8
137.05981	30.3
138.06284	1.0
141.07001	7.8
142.07291	0.5
143.04898	2.7
144.05649	1.9
145.06497	2.5
147.03304	0.6
147.04396	5.0
147.07983	1.7
148.05122	1.9
148.25644	0.5
149.05978	6.0
150.06700	0.7
151.03909	7.7
151.05031	1.0
151.07538	7.6
153.05421	1.8
155.05998	0.5
155.08542	0.5
157.06499	5.0
159.04362	0.5
159.08060	5.4
160.05177	1.2
161.05980	44.2
162.06360	1.7
163.03787	0.5
163.07547	8.8
164.08365	3.9
165.01781	1.5
165.05461	1.1
165.09068	1.9
167.06989	1.2
167.08372	0.4
169.02792	0.8
169.06479	10.0
170.06892	0.5
175.07555	13.0
176.07918	0.5
177.05475	1.1
177.09093	2.4
178.07736	1.4
179.06978	1.6
179.08525	3.6
180.90518	0.4
181.06516	0.7
182.07219	1.0
183.02884	0.7
183.06483	0.9
183.07971	0.6
187.03870	0.9
187.07544	16.2
188.07884	1.0
189.06990	0.6
189.09044	1.2
190.06236	0.8
190.07776	1.1
191.06990	0.6
195.08000	0.8
196.08755	1.0
197.06032	0.8
197.09613	1.3
199.07498	0.5
201.08908	0.5
205.04880	1.1
205.08569	4.7
205.10194	0.7
206.05600	0.8
206.07309	0.6
207.08047	4.0
209.08049	0.9
210.06697	0.5
211.07501	1.0
213.05371	0.8
215.03326	0.4
215.06845	1.0
215.08670	0.5
217.05038	2.6
217.08537	3.3
218.05673	7.3
218.09004	0.8
219.06090	0.5
221.07979	5.3
223.05881	0.8
223.07681	0.7
223.09659	1.7
224.08362	3.3
225.09067	3.2
227.07043	0.8
228.07686	0.7
229.04886	1.2
229.08575	1.6
230.05710	0.8
230.09300	0.7
231.06514	1.1
231.10049	3.0
233.08066	100.0
234.06540	0.6
234.08511	7.5
235.07518	7.8
236.08124	1.3
237.09154	0.8
239.06953	1.3
239.10643	3.9
240.07730	1.7
241.05002	0.6
242.09502	0.5
243.06480	2.2
243.10109	1.8
244.07234	1.9
245.08037	5.3
245.11694	5.3
247.05997	1.5
247.09586	3.3
249.09071	1.4
250.10010	0.7
251.10625	0.7
252.07863	2.0
253.08522	2.8
255.06526	2.0
255.10162	5.4
256.07272	1.5
257.08105	8.1
257.10928	0.9
258.08835	6.1
259.06042	4.2
259.09644	8.0
260.10071	0.8
261.09470	2.1
262.09628	0.5
263.09167	1.9
264.07855	0.6
265.12283	2.0
266.09439	0.5
267.06693	1.6
267.10159	7.8
268.07208	0.9
268.10123	0.4
269.08215	0.6
270.08920	1.6
271.09650	4.9
272.10379	0.9
273.11206	23.8
274.11462	2.4
278.09357	1.3
279.10028	2.3
280.10892	0.8
281.08038	0.9
281.11737	0.9
282.08801	1.8
283.06339	1.0
283.09610	7.1
284.06839	0.7
284.09940	0.9
285.07977	1.2
285.11206	32.8
286.11496	3.3
287.09171	4.5
288.09494	0.5
293.11667	7.6
293.14819	0.5
294.12259	0.6
295.06082	0.8
296.07224	0.9
296.10406	2.4
299.09152	23.5
299.12766	10.9
300.09494	1.8
300.12906	0.9
301.10706	6.2
311.09125	10.7
311.12790	19.9
312.09698	0.7
312.13126	1.7
313.07135	1.2
317.10220	7.0
329.10229	17.4
329.13855	2.2
330.10626	1.0
330.14258	0.6
347.11261	22.5
347.15009	4.1
348.11594	2.3
348.15381	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1487
Annotation	1,7-bis(3,4-Dihydroxyphenyl)-5-hydroxy-3-heptanone
Peak:m/z	Relative Intensity
51.32083	1.4
53.03933	3.7
55.01864	10.0
56.38648	1.5
57.03419	2.0
65.03927	2.3
67.05492	3.1
68.99799	2.1
69.03425	2.2
69.07062	1.7
71.05000	3.0
77.03918	2.0
79.05482	8.4
81.03410	2.8
81.07051	5.3
83.04961	2.5
85.02901	3.1
85.06463	1.8
91.05478	29.9
91.06045	1.6
93.03407	1.9
93.07019	9.2
95.04978	5.8
97.06565	1.7
103.05463	63.3
104.06279	9.1
105.07017	12.6
107.04939	17.0
109.02872	2.0
109.06539	5.7
115.05451	3.3
117.06995	3.6
119.04918	21.7
121.06497	30.8
122.03660	2.3
123.04440	12.4
129.06917	1.6
131.04924	41.1
131.05905	3.0
131.08559	4.6
132.05688	4.4
133.06476	15.3
135.04431	2.1
135.08080	7.4
137.05975	66.8
137.09637	1.7
139.03896	9.8
139.07544	1.6
141.06984	2.8
143.08473	1.8
145.06508	3.5
147.04398	32.3
147.08028	3.3
148.05098	1.6
149.05974	63.1
151.03934	4.2
151.07501	11.1
153.05449	2.4
159.08054	8.7
161.04713	2.1
161.05975	5.3
162.06706	1.6
163.03955	2.2
163.07542	31.5
164.04669	3.0
164.08319	100.0
165.04070	3.5
165.05466	61.0
165.09120	16.1
166.05849	2.3
167.07022	14.0
175.07530	8.6
176.07011	1.9
177.05457	60.0
177.09105	3.2
178.05879	3.9
179.06947	9.3
180.07910	2.6
181.04933	1.7
181.08542	7.0
183.06540	4.6
185.11688	1.6
187.07538	28.3
188.03363	3.6
188.07930	2.3
191.06992	9.2
193.08655	3.6
195.07979	2.6
203.10774	1.5
205.08588	39.4
206.08969	1.8
209.08064	12.3
213.93082	1.6
217.04996	4.6
223.07535	2.8
223.09608	20.8
225.08954	2.0
233.08073	8.1
233.10027	1.6
235.05751	1.7
241.04776	1.6
243.02815	2.1
250.06200	1.8
257.08133	4.2
259.09644	2.4
261.03952	9.4
273.11246	2.6
283.09668	2.1
297.11377	2.3
299.09155	1.8
301.10699	14.0
317.10034	2.2
329.10217	7.6
329.13809	4.8
347.11215	8.0
347.14944	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1675
Annotation	Gly Arg Asp
Peak:m/z	Relative Intensity
62.50554	0.3
69.56478	1.7
98.23238	0.5
129.44087	0.3
136.49831	0.3
137.32198	0.3
185.07877	1.2
185.11546	0.4
203.05186	0.5
347.13025	12.2
347.16748	100.0
348.13416	0.6
348.17090	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	347.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.8
55.01873	2.7
55.05513	5.0
64.96133	1.6
65.03944	3.9
67.05520	10.4
69.03420	5.9
69.07066	8.1
71.04978	7.0
71.31652	2.5
73.53753	1.6
74.37049	1.8
79.05480	5.9
81.03416	3.4
81.07053	8.1
83.04978	2.7
91.05480	10.9
93.07041	7.3
95.04964	8.5
95.08595	7.8
97.02833	2.1
97.06525	2.6
103.05450	6.7
105.07022	14.7
107.04932	5.2
107.08595	11.9
109.02932	2.4
109.06526	2.8
109.10139	4.8
109.70411	2.0
111.04448	4.0
112.08781	1.8
115.05489	3.3
117.07030	5.1
119.04919	4.6
119.08588	5.9
121.06502	5.5
121.10155	11.6
123.04406	7.0
123.08051	3.2
123.11701	2.9
125.05972	2.8
128.06210	3.2
129.06973	4.1
131.04933	3.9
131.08559	12.4
132.05360	1.9
133.06488	5.3
133.10127	5.5
135.04456	2.3
135.06955	1.9
135.08080	5.1
137.05962	30.7
137.09636	6.4
138.06332	2.1
139.05476	9.1
141.05440	2.1
141.07025	2.4
143.04912	2.1
143.08565	4.9
145.06467	5.3
145.10150	4.6
147.04384	3.2
147.08054	6.0
147.11678	3.1
149.05969	7.9
149.09613	10.3
151.03940	13.7
151.04991	2.5
151.07574	12.4
151.11301	2.0
153.05513	3.1
153.06958	2.9
154.53024	1.7
155.04930	2.9
155.08511	2.9
157.10143	3.9
159.08051	12.2
159.11790	2.0
161.06006	7.1
161.09647	5.5
163.07553	9.5
165.05594	3.8
165.06989	5.2
165.09135	4.5
166.07782	3.1
167.04939	5.3
167.07111	3.1
167.08527	3.6
167.14360	2.2
169.10136	3.4
171.08080	3.4
171.11673	3.2
173.13225	3.2
174.06735	2.8
175.07542	5.2
175.11249	2.8
177.05527	5.4
177.09122	16.2
179.07040	2.6
180.09425	2.1
181.04964	7.0
181.06438	4.5
181.10129	5.8
183.08080	2.2
184.05183	5.8
185.09592	2.6
187.07539	4.0
189.09074	6.0
191.07030	12.8
191.14355	2.1
195.04395	14.8
195.08078	7.4
195.10103	3.5
195.11720	7.5
197.06053	2.3
198.06801	2.4
199.07518	12.2
199.11195	3.3
201.09138	5.3
203.07050	6.5
203.10771	2.1
205.08597	14.8
207.09993	1.9
208.08777	2.5
209.06155	10.4
209.09624	29.2
210.06699	3.1
211.07573	3.1
211.11055	2.0
212.04675	17.8
213.05359	2.2
213.12619	2.5
215.07022	5.4
217.08745	1.9
217.12308	3.0
222.10429	2.0
223.07574	4.0
223.11176	12.1
224.08293	2.8
225.09079	3.2
225.12657	2.0
226.09785	5.3
227.07033	100.0
227.10597	4.6
228.07385	7.5
231.13831	2.4
236.08424	3.0
237.09062	4.8
237.12773	3.4
239.10532	2.0
241.08607	7.5
241.12178	16.0
243.17400	2.6
250.09688	2.1
251.10670	5.3
253.08638	1.9
254.09373	7.5
255.10167	7.9
255.13708	9.4
259.09644	26.7
259.13303	13.5
260.10150	2.3
265.12213	55.9
266.12637	4.4
268.10910	4.1
269.11670	17.4
269.18787	1.9
270.12051	2.4
283.13254	32.3
284.13528	3.2
285.14938	8.4
287.12857	13.7
297.14862	13.2
301.14389	17.1
303.04822	2.6
311.12766	18.0
311.20154	2.0
312.13260	2.8
329.10165	4.1
329.13779	19.8
329.17422	3.6
329.21124	3.8
331.04449	4.5
347.07480	14.6
347.10800	1.7
347.14798	7.0
347.22165	7.9
348.07855	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2216
Annotation	Syringenin-4-O-geranyl ether
Peak:m/z	Relative Intensity
53.45116	0.3
54.70283	0.3
55.05488	0.9
57.03413	0.4
57.07054	1.2
57.51633	0.3
67.05507	2.3
69.03445	1.5
69.07065	4.0
71.04995	0.7
71.08599	0.4
79.05495	1.5
81.07055	18.1
82.07372	0.7
83.01331	5.6
83.08599	1.2
85.06548	0.3
91.05495	1.7
93.07033	2.0
95.04955	0.6
95.08024	0.5
95.08601	7.4
96.08907	0.4
97.06507	0.3
105.07024	0.9
107.04967	0.5
107.08574	1.4
109.06508	0.4
109.10136	0.9
111.11755	0.3
113.05976	1.4
117.07014	0.8
119.08511	0.6
121.06508	3.8
121.10119	1.1
123.08002	0.6
131.08578	2.9
133.10129	0.6
134.07271	0.3
135.07057	0.5
135.08049	7.1
135.11673	0.5
137.05922	0.6
137.09561	0.4
137.13246	5.3
138.13580	0.3
144.05685	0.4
145.06419	0.5
145.10078	0.3
149.05986	1.1
149.09613	6.1
151.07541	0.6
153.05435	0.6
154.66486	0.3
159.08054	6.3
161.05928	0.8
161.09650	0.5
162.06761	6.2
163.07533	12.0
164.07703	0.4
165.09093	0.5
167.06863	0.3
173.09590	0.9
176.08331	0.9
177.09106	20.3
178.09439	0.8
181.08556	1.0
187.07550	5.6
189.09041	1.0
190.06268	0.7
191.06998	2.2
191.10611	1.8
192.07768	1.5
193.08617	3.0
201.09102	0.5
202.09988	0.3
203.02690	0.3
203.07219	0.4
203.10672	0.6
205.08595	100.0
206.08943	4.7
211.09587	1.8
217.12216	0.6
219.10146	6.2
220.10692	0.4
223.09637	58.3
224.09953	2.7
231.10150	1.1
233.11612	0.6
237.11200	5.3
245.11656	1.1
247.13307	1.0
259.13208	0.4
263.12634	0.4
265.14371	0.6
273.14886	1.5
291.15918	0.9
329.21088	25.3
330.21384	2.1
347.22147	47.1
348.22491	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	347.2426
Annotation	oscr#20
Peak:m/z	Relative Intensity
55.05507	33.6
67.05506	51.4
69.03014	74.9
69.03447	60.7
69.07061	32.8
72.39365	15.3
76.94003	12.8
79.05498	52.1
80.29179	12.5
81.07047	77.9
83.08600	16.6
91.05489	30.9
93.07045	47.8
95.04987	23.0
95.08601	70.9
103.05460	22.2
105.07057	100.0
107.04966	22.4
107.08599	31.4
109.10166	25.1
115.05488	18.6
117.07012	22.2
118.04128	13.8
119.08627	21.5
121.10149	14.1
131.04933	21.7
133.06519	44.9
133.10106	23.2
151.03906	15.9
159.08055	14.2
161.06004	42.3
163.03912	56.3
167.07042	25.8
178.06248	79.0
193.08578	81.2
233.34959	13.4
265.21680	15.4
275.20114	60.0
281.21933	12.2
293.20978	93.2
301.17776	13.6
347.14828	75.8
347.18500	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	347.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	35.3
57.86497	9.7
62.27888	10.2
67.05519	53.9
69.07053	36.3
69.60198	10.4
71.32853	12.0
79.05483	42.0
81.07049	53.8
83.08600	37.5
91.05503	26.5
93.07037	44.0
95.08614	60.8
97.10160	29.4
103.05463	23.8
105.07037	100.0
107.08593	32.2
109.10164	34.0
111.08092	11.9
115.05457	29.1
118.04150	12.3
120.85886	11.3
121.06548	12.2
121.10165	19.0
123.11803	11.5
125.09647	27.7
131.08543	18.5
133.06482	44.3
133.10139	14.5
135.11661	11.5
137.05951	12.2
137.09572	16.0
143.10487	10.0
145.10152	18.1
147.11658	16.6
149.09639	13.3
161.05978	25.1
163.03929	38.8
165.09053	11.1
167.07016	29.8
173.11557	10.7
178.06259	61.2
189.11227	47.9
192.07262	10.0
193.08595	45.3
231.89529	10.8
261.22070	18.2
279.23206	48.8
329.21231	18.0
340.17053	10.6
347.14899	55.2
347.18268	25.9
347.22107	39.3
347.30081	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	348.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.9
55.01868	0.9
56.96553	1.4
57.03429	2.3
60.05657	0.5
61.02931	3.3
62.06984	0.5
67.05500	2.7
69.03430	7.4
69.60909	1.2
69.61314	1.6
70.06582	1.2
71.05003	1.0
73.02916	1.0
81.03408	3.1
85.02899	27.4
85.06585	0.7
86.03239	0.9
87.04461	1.3
91.03964	1.1
91.31337	0.6
95.04951	3.4
97.02890	8.5
98.09692	5.0
98.97575	2.6
99.04461	1.4
101.00883	2.9
109.02876	2.7
113.00845	0.8
115.02409	0.6
116.98625	1.5
119.01923	5.9
120.02032	0.9
121.01699	0.6
123.04423	100.0
124.04760	2.8
127.02415	0.8
127.03899	5.0
131.01912	2.1
136.06178	26.1
137.02939	0.6
137.04713	0.6
137.05824	0.8
143.01891	5.1
144.02031	4.3
144.04016	0.8
145.01680	1.5
145.03555	2.7
145.04939	5.3
147.01416	0.5
147.04425	0.7
150.05429	0.8
151.03896	28.3
153.01837	1.6
153.16785	0.5
155.01903	1.9
157.03474	1.4
161.02942	8.5
162.03104	5.2
163.02744	1.4
163.05887	0.5
168.06500	2.5
169.04953	47.6
170.05362	1.8
173.02975	2.4
175.04491	1.4
175.97766	0.6
177.00822	0.7
179.01878	0.7
180.08624	2.8
185.02974	1.9
186.05083	1.1
186.07597	2.0
186.14868	1.2
187.04524	1.7
197.02968	4.0
199.04424	0.6
203.04044	3.3
204.04153	2.1
205.03688	0.8
219.01860	1.4
221.05090	3.1
234.01884	0.7
237.02739	0.7
245.05043	12.2
245.98581	1.0
246.01657	0.6
246.98076	0.7
259.06534	0.7
261.03333	0.6
263.06100	4.2
274.08377	0.6
288.09995	2.0
289.07587	3.1
307.08752	7.7
330.12015	0.9
348.06894	2.6
348.12897	1.7
348.20432	3.9
349.10822	0.7
349.14810	1.1
349.19995	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03909	5.9
55.01863	8.6
55.05501	24.9
57.03429	10.8
64.66257	5.4
67.05210	6.7
67.05510	73.3
68.02203	5.9
69.07058	9.9
69.50657	34.4
76.73761	6.0
79.05490	17.9
81.03421	7.7
81.07047	31.5
83.04959	8.8
83.08617	21.6
85.06547	7.2
91.05493	18.4
93.07034	20.2
95.08594	22.0
97.10176	11.7
98.22639	7.1
105.07011	8.4
107.08582	21.9
109.06471	6.1
109.10152	65.1
117.07137	6.3
119.08566	7.6
121.10137	10.3
122.92869	5.8
123.11629	6.9
125.09632	9.7
126.09901	6.1
131.08513	8.1
133.10159	8.5
135.11713	9.6
155.10664	23.4
157.10144	6.2
159.11757	10.4
161.13181	9.9
166.21465	6.0
173.11736	100.0
189.11172	10.7
195.13687	10.6
196.09735	12.2
197.42506	7.2
203.89030	6.5
277.21628	27.9
295.22662	14.2
331.19385	9.1
345.48590	6.0
349.06741	14.1
349.19714	19.3
349.23495	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	349.1312
Annotation	Compound VII
Peak:m/z	Relative Intensity
53.03936	4.5
65.03949	3.8
67.05492	4.7
70.06586	5.8
71.04989	100.0
71.31980	3.2
79.05498	7.8
81.03390	4.7
81.07043	4.1
83.04958	3.1
85.06538	6.6
91.05478	12.3
93.07012	10.6
95.04961	4.2
105.07017	19.5
107.04953	2.9
109.00621	2.8
109.02883	4.0
109.06509	3.1
114.10303	3.7
117.07011	4.3
119.08555	8.0
120.04448	3.1
121.06497	5.9
121.10109	4.5
123.04449	16.2
129.06956	4.4
131.08551	22.0
133.10060	6.8
137.05931	7.1
139.07544	12.9
145.10112	10.8
147.11682	14.0
147.33748	2.9
149.05951	4.8
149.09592	7.9
151.03923	16.9
155.06911	2.8
163.11188	7.6
166.05000	5.2
173.09598	8.6
175.11916	4.5
185.87630	2.9
191.10635	26.1
194.04539	6.0
196.40376	3.1
209.11732	12.0
285.07529	7.0
313.11823	4.5
331.08087	3.0
331.12662	12.9
349.08884	8.7
349.13693	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1312
Annotation	Compound VII
Peak:m/z	Relative Intensity
53.03933	0.9
55.01863	0.8
55.05503	8.9
57.07061	1.0
63.92806	0.6
67.05505	3.5
69.03423	0.7
69.07066	6.7
70.65143	0.7
70.65474	1.1
71.04955	0.7
79.05488	12.9
81.07046	6.9
82.06557	2.2
83.04977	4.7
83.08611	4.4
85.06542	1.5
91.05473	34.5
91.58126	0.7
93.07044	7.7
95.04956	5.3
95.08617	1.4
100.07619	1.4
100.11247	24.5
101.05984	0.7
101.11607	1.0
103.05519	0.7
105.07021	43.4
106.07359	1.7
107.04935	1.9
107.08578	4.1
109.06511	7.9
109.10143	1.4
110.06036	1.2
111.04435	2.8
117.07032	0.9
117.13855	1.0
119.08573	15.0
121.06492	1.1
125.05976	2.4
126.09143	0.9
128.07088	1.7
129.06976	1.0
131.08569	7.5
133.10118	100.0
134.10480	3.1
137.05960	5.4
141.11461	2.5
144.57196	0.6
147.11667	21.0
148.11893	1.0
149.09616	1.0
151.07513	4.1
151.11172	11.7
155.06996	1.8
163.64371	1.0
165.12752	0.9
175.11172	9.1
177.05461	1.5
182.15378	6.5
193.12225	26.2
194.12572	1.5
197.69524	0.7
199.17998	1.5
203.07063	0.9
208.73058	0.7
209.16444	4.0
210.14877	8.2
211.13303	1.6
213.17769	3.6
226.19170	0.7
227.17471	6.8
276.72809	7.7
277.22922	2.6
285.24078	1.1
326.28009	1.3
331.12152	1.5
340.25775	1.1
340.76114	1.2
343.30560	6.1
349.13193	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.6
55.05255	2.0
55.05510	26.3
55.30123	1.1
56.05851	2.0
57.07071	1.9
57.60739	1.2
65.03956	1.3
67.05503	3.9
69.07067	6.8
70.06593	1.2
70.47453	4.0
71.04974	1.5
79.05492	9.2
81.07074	6.2
82.06596	6.2
83.04976	8.5
83.08617	16.7
91.05473	33.8
91.58110	2.0
92.05810	1.4
93.07035	7.8
95.04967	5.6
98.09698	1.8
100.07602	4.9
100.09447	3.8
100.11251	100.0
101.11596	2.5
104.42826	1.3
105.07024	39.4
106.07388	1.8
107.04955	1.5
107.08589	3.6
109.06494	6.7
110.06050	5.4
111.04429	12.2
112.07610	2.4
117.07023	2.0
117.13887	5.4
117.48170	1.1
119.08589	14.8
120.08952	1.6
121.10078	1.2
125.05994	3.1
126.09177	2.0
127.08710	1.3
128.07045	5.6
131.08545	7.3
133.10124	99.2
134.10475	3.6
137.06010	7.1
139.08629	1.4
140.07022	1.7
141.11447	5.7
141.61613	1.8
147.11687	21.5
149.06020	1.1
151.07570	5.0
151.11156	10.2
155.07004	2.0
155.11214	1.8
163.64380	4.3
166.16032	1.5
175.11157	9.9
177.05450	2.3
182.15401	25.8
183.15784	1.3
193.12248	23.9
199.18047	6.0
209.16466	15.3
210.14883	35.7
210.16661	2.0
211.13231	2.7
211.15263	3.3
213.17807	10.7
218.16965	1.6
227.17525	29.8
227.67690	4.9
228.15956	2.1
245.18697	3.4
267.72098	2.1
276.72781	43.2
277.22839	9.2
285.24155	7.1
318.08762	1.2
326.27841	3.8
327.28488	1.3
336.22620	1.5
337.21057	2.0
340.26053	7.2
340.76157	1.7
343.30649	34.0
344.30923	3.8
349.13193	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97430	0.5
53.03929	0.8
55.01861	0.7
55.05508	3.3
57.03426	0.8
57.07060	0.7
59.74850	0.4
60.57154	0.4
67.05493	3.2
69.07057	5.3
70.83534	0.5
70.83873	0.8
71.04996	0.7
73.99453	0.4
79.05485	13.0
81.03425	0.6
81.07046	5.7
83.04971	4.2
85.06541	0.6
91.05471	39.4
91.83492	0.5
92.05798	1.1
93.07036	10.2
95.04958	5.0
95.08573	1.2
97.06514	1.6
100.11239	1.5
102.98463	0.4
103.05392	0.8
105.07021	45.7
106.07364	1.6
107.04945	1.8
107.08580	5.4
109.06512	5.5
109.10164	0.7
111.08061	0.5
113.06033	0.7
117.07022	0.8
119.08572	16.5
120.08940	0.7
121.10101	1.3
123.08086	0.8
123.11657	0.8
125.05978	3.6
129.06973	0.8
131.08549	7.1
133.06482	1.4
133.10115	100.0
134.10445	4.3
137.05965	5.3
138.06276	0.5
139.07532	6.4
147.08003	0.5
147.11671	23.3
148.11934	0.6
149.09595	0.5
151.07512	3.8
151.11157	8.6
155.07031	2.8
157.10196	1.1
165.12737	1.5
167.10660	1.2
174.17163	0.5
175.11153	8.6
176.11435	0.5
182.15402	0.6
191.08136	1.7
191.89546	0.5
193.12225	30.7
194.12561	1.2
201.05415	0.5
203.06903	0.5
210.14827	1.1
211.13231	4.1
234.06357	0.5
261.07562	0.8
285.27390	0.5
289.07016	0.7
307.12808	1.5
331.11969	1.2
349.09171	0.9
349.12897	3.5
350.13535	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	1.4
69.03425	2.4
69.07075	9.0
70.99864	1.4
71.04990	2.0
71.31668	1.5
77.00900	1.7
79.05485	1.0
81.03421	1.4
82.99862	1.1
83.04977	4.1
84.08121	1.7
85.01377	1.0
85.02896	3.6
85.06522	4.6
97.02888	1.8
98.97569	5.0
99.04456	1.0
101.00871	11.4
101.06024	1.0
103.02455	1.2
110.97549	1.4
113.00877	9.8
115.02444	4.2
116.98651	2.1
117.03979	1.3
119.01919	16.5
123.04471	2.0
127.02389	2.5
127.03867	1.5
129.03951	1.3
131.01898	27.5
131.05568	1.2
133.03456	5.8
136.06207	2.0
137.00844	1.6
137.02966	1.9
138.01538	0.9
143.01913	6.4
143.05545	2.6
143.93178	1.1
145.03450	9.1
145.07120	3.6
147.01350	2.5
149.02937	2.9
149.06595	1.1
153.01797	4.8
153.05411	1.1
155.01900	13.2
155.03075	1.8
156.02686	3.1
157.03461	3.9
159.05040	2.2
161.02956	10.0
161.06567	3.8
162.03070	1.4
163.02673	1.2
163.08232	4.6
167.05711	1.0
167.07021	19.6
169.04941	2.0
169.07065	4.3
173.02942	7.9
173.06641	3.3
175.04501	1.7
177.05588	1.4
177.09190	1.1
181.07062	4.1
183.08748	1.6
185.02930	3.4
185.06606	4.0
187.06377	1.3
187.08148	32.1
188.08398	2.9
191.07600	1.8
193.07024	1.4
194.05231	2.2
194.09386	2.5
197.03143	0.9
197.06602	1.0
199.08150	49.3
200.08365	3.0
201.09737	6.7
203.03958	8.9
205.09225	10.5
211.08118	5.2
213.09767	1.8
215.07680	2.5
217.09181	14.3
218.05141	1.1
219.01814	1.8
219.10782	1.5
221.05013	29.6
222.05219	2.3
223.08157	1.8
227.07465	1.7
229.09227	12.2
236.06453	1.4
237.02809	1.5
239.07686	6.6
241.09196	6.0
247.06534	1.3
257.18643	1.2
271.10104	2.1
287.09741	1.5
289.11304	100.0
290.11487	11.0
303.19043	1.3
307.12354	63.2
308.12540	6.5
330.13879	1.1
332.16904	0.9
349.03729	1.0
349.08835	5.0
349.14078	15.0
349.19778	2.9
350.09476	5.1
350.13489	1.3
367.44943	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05649	19.3
65.82330	0.6
67.03738	1.0
68.04996	0.6
68.99771	0.8
70.06589	65.9
71.04633	0.6
71.04990	7.4
71.06897	0.7
71.25161	0.6
71.31911	1.1
72.08155	4.5
76.62350	0.5
76.65042	0.6
85.06529	0.9
88.07590	0.8
93.55270	0.6
95.06088	9.0
96.04424	0.8
97.02861	0.8
97.07646	1.3
98.06028	2.3
98.17671	0.6
100.03953	0.6
101.00868	1.4
103.02348	0.6
112.08720	9.3
113.00835	0.7
113.07068	0.9
114.10284	1.3
115.08681	3.0
116.07091	17.3
117.03973	0.9
119.01917	1.4
125.13560	0.6
127.77581	0.6
129.01794	1.4
130.09758	7.9
131.01927	1.5
133.39040	0.7
138.01883	3.7
140.08194	0.9
145.03511	3.2
153.01759	1.0
156.02867	1.1
157.10826	2.0
158.09251	6.2
163.04622	0.7
164.03398	1.4
167.07030	0.8
169.06847	2.5
171.05013	1.8
174.04004	1.3
174.89566	0.6
175.11900	100.0
176.12201	2.2
180.06606	1.2
186.07542	1.1
187.04436	0.9
187.07915	1.4
190.04987	2.0
197.02834	0.9
199.04491	1.3
208.06110	1.3
226.07124	1.0
229.01942	0.7
230.05093	0.7
232.07211	1.0
235.07095	3.2
236.05583	3.4
243.03520	1.3
245.12547	2.9
245.82304	0.7
247.03053	1.4
260.06644	1.6
289.11386	1.6
296.08820	0.7
314.09796	0.8
342.26758	0.6
349.13562	36.5
349.17065	1.3
350.13916	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.8
60.05646	23.8
67.01871	0.6
68.05043	0.8
70.06587	60.9
71.04989	7.8
71.06931	0.9
71.31873	0.5
72.08152	5.5
73.06460	0.5
74.02428	0.9
84.08161	0.6
85.06520	0.5
88.07613	0.7
95.06077	7.5
97.07636	2.5
98.06048	1.8
101.00842	0.4
103.02441	0.8
112.08720	11.1
113.07154	1.0
114.05547	0.4
114.10275	1.4
115.08689	3.2
116.07087	19.0
117.04025	0.7
119.01945	0.4
128.03476	0.6
129.01846	1.9
130.09761	9.1
131.01942	0.6
134.06015	0.4
135.05072	0.4
138.01862	3.8
140.07048	0.6
140.08153	1.1
141.06546	0.5
142.08632	1.1
144.06587	0.8
145.03462	1.7
147.69566	0.4
149.02959	0.4
156.02884	1.0
157.10808	1.6
158.09247	7.5
163.04565	0.7
164.03433	1.0
171.05014	2.1
174.03966	1.7
174.89661	2.2
175.11894	100.0
176.12233	1.7
180.06517	0.9
186.07602	1.4
190.04988	2.6
192.05080	0.6
199.04521	0.7
208.06017	1.9
213.07486	1.7
215.04025	0.6
226.07104	1.0
235.07178	3.2
236.05524	3.5
243.03453	1.0
245.12521	2.9
251.02995	0.5
254.06842	0.8
259.13956	0.5
260.06573	1.1
263.14645	0.4
272.07645	0.6
286.10562	0.4
287.13315	0.4
289.11334	0.9
296.08755	0.7
314.09680	0.9
331.01306	0.5
331.12372	0.9
349.13510	35.4
350.13766	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.8
55.01865	2.0
55.05505	2.4
57.03428	2.2
57.07051	0.6
59.37175	0.7
65.03934	2.4
67.05502	7.6
69.03431	1.0
69.07068	4.2
69.71271	3.1
71.04992	1.8
74.35818	0.6
77.03928	0.8
79.05487	7.7
81.03413	1.8
81.07059	9.1
83.04962	1.2
83.08619	1.4
85.06532	0.8
91.05483	6.8
93.07050	7.8
95.01273	0.8
95.04974	4.7
95.08617	6.9
96.75319	0.7
97.06525	1.7
105.07016	7.9
107.04945	2.2
107.08586	5.3
108.02091	2.5
108.08949	0.7
109.02830	0.7
109.06544	4.6
109.10149	2.6
111.04453	2.1
112.01556	0.7
113.06009	2.3
117.07018	2.5
117.94952	0.7
119.08578	8.7
121.06485	2.1
121.10140	4.8
123.04420	0.9
123.08060	3.7
123.11698	1.4
125.05987	1.2
125.09575	0.7
127.03903	0.7
129.06982	1.5
131.04915	0.7
131.08551	3.6
133.06499	2.4
133.10132	5.8
135.04439	1.6
135.08073	2.1
135.11699	1.9
137.05963	3.3
137.09647	2.9
141.05441	2.2
141.07028	1.1
143.08571	1.4
145.10091	3.4
147.08058	2.3
147.11687	2.1
149.05978	1.5
149.09627	1.9
151.03908	100.0
151.05009	9.0
151.07510	2.2
151.11183	4.2
152.04195	3.2
154.07755	1.0
155.08543	0.8
157.10136	1.0
159.11717	2.9
161.09578	1.0
163.03906	0.7
163.07553	1.1
163.11182	0.8
165.09096	3.6
167.07043	3.5
167.08392	0.9
167.88286	0.7
169.08710	1.0
169.10072	3.7
171.11656	1.4
173.13275	1.7
175.07573	1.8
175.14839	0.9
179.07060	0.9
179.10695	1.7
179.14195	0.9
181.08551	1.0
183.11623	0.9
185.56187	0.5
187.07597	1.4
187.11217	0.9
189.09120	1.4
191.14296	0.7
193.04889	0.6
193.08662	1.6
193.12282	1.3
195.11711	0.9
197.09639	12.8
197.11697	2.1
199.11168	0.7
199.14917	0.7
201.09082	1.0
205.12170	1.6
207.13864	0.8
214.09784	0.8
215.10696	0.8
219.06447	1.0
219.13747	0.8
225.09151	1.1
225.16516	0.8
229.12199	10.4
238.10010	1.0
245.11705	1.6
247.13271	3.0
257.11749	8.2
257.18976	1.0
258.12338	0.7
261.14911	1.1
263.12732	4.0
271.13312	0.9
275.12839	1.0
275.19989	3.5
285.18420	2.2
299.12720	1.0
302.11407	0.9
303.19458	1.4
305.23047	0.8
313.17700	0.9
317.14096	1.6
331.15549	1.0
331.18979	3.0
349.06830	6.1
349.15335	2.4
349.19952	10.4
349.23917	3.9
350.07178	0.9
357.89749	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23775	2.8
53.03932	9.8
55.01877	7.0
55.05513	21.5
56.96561	31.5
57.03432	19.4
57.07071	4.7
57.23778	2.9
64.53998	3.1
65.03951	4.0
65.37026	3.0
67.05166	4.4
67.05509	61.1
69.07067	34.7
69.49197	5.2
69.49625	15.8
71.04993	7.5
71.95266	7.7
75.60288	3.1
76.10495	2.9
79.05488	43.4
81.03403	4.7
81.07054	64.8
83.04980	12.2
83.08626	8.2
85.06474	3.8
91.04952	4.1
91.05485	42.1
93.07047	55.8
95.04988	16.7
95.08617	33.6
97.06512	9.3
97.10164	4.2
98.22661	7.2
105.07030	47.8
105.08158	3.1
107.04959	11.4
107.08608	42.6
109.06519	18.3
109.10149	17.0
117.07012	16.3
117.97369	3.0
119.08570	28.8
121.06522	14.1
121.10137	18.5
123.08065	8.0
123.11694	11.1
125.09613	7.0
129.06975	8.0
131.08571	23.9
132.93639	3.4
133.06468	6.5
133.10126	28.5
135.08051	4.5
135.11710	15.4
137.09572	6.8
139.11160	4.4
141.06976	4.1
143.08545	4.8
145.06491	5.9
145.10114	24.1
147.08029	6.6
147.11678	17.2
149.05917	6.1
149.09575	9.0
149.13216	8.2
151.11169	10.0
155.08400	4.0
157.10077	8.5
159.08115	5.0
159.11674	15.7
161.09689	6.6
161.13249	9.1
163.11186	8.7
166.13310	3.4
169.10150	4.7
171.11855	6.5
173.13289	8.9
177.12680	4.4
179.07031	5.0
183.11682	5.3
187.14810	5.7
191.14331	4.1
193.12218	10.5
197.05850	8.5
197.08080	20.2
199.06458	6.9
201.12662	4.2
211.11362	2.9
211.14830	4.3
213.08009	13.3
217.07446	7.4
219.13838	5.3
229.07449	40.5
229.19405	3.0
231.09012	21.3
233.15298	3.9
239.17882	4.5
243.09079	7.8
247.08479	17.1
247.20546	6.2
257.18958	15.6
261.14804	5.4
275.17084	5.6
275.20084	100.0
276.20551	5.1
279.15906	3.8
291.06516	5.5
293.21335	6.2
306.08853	7.7
314.81815	3.3
321.11139	5.5
331.15656	5.8
334.08551	15.5
349.06726	54.5
349.10629	75.6
349.16660	25.0
349.20010	12.0
349.23221	26.4
349.27420	4.6
350.07071	5.9
350.11002	7.6
350.17548	4.2
367.17828	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	349.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23775	2.8
53.03932	9.8
55.01877	7.0
55.05513	21.5
56.96561	31.5
57.03432	19.4
57.07071	4.7
57.23778	2.9
64.53998	3.1
65.03951	4.0
65.37026	3.0
67.05166	4.4
67.05509	61.1
69.07067	34.7
69.49197	5.2
69.49625	15.8
71.04993	7.5
71.95266	7.7
75.60288	3.1
76.10495	2.9
79.05488	43.4
81.03403	4.7
81.07054	64.8
83.04980	12.2
83.08626	8.2
85.06474	3.8
91.04952	4.1
91.05485	42.1
93.07047	55.8
95.04988	16.7
95.08617	33.6
97.06512	9.3
97.10164	4.2
98.22661	7.2
105.07030	47.8
105.08158	3.1
107.04959	11.4
107.08608	42.6
109.06519	18.3
109.10149	17.0
117.07012	16.3
117.97369	3.0
119.08570	28.8
121.06522	14.1
121.10137	18.5
123.08065	8.0
123.11694	11.1
125.09613	7.0
129.06975	8.0
131.08571	23.9
132.93639	3.4
133.06468	6.5
133.10126	28.5
135.08051	4.5
135.11710	15.4
137.09572	6.8
139.11160	4.4
141.06976	4.1
143.08545	4.8
145.06491	5.9
145.10114	24.1
147.08029	6.6
147.11678	17.2
149.05917	6.1
149.09575	9.0
149.13216	8.2
151.11169	10.0
155.08400	4.0
157.10077	8.5
159.08115	5.0
159.11674	15.7
161.09689	6.6
161.13249	9.1
163.11186	8.7
166.13310	3.4
169.10150	4.7
171.11855	6.5
173.13289	8.9
177.12680	4.4
179.07031	5.0
183.11682	5.3
187.14810	5.7
191.14331	4.1
193.12218	10.5
197.05850	8.5
197.08080	20.2
199.06458	6.9
201.12662	4.2
211.11362	2.9
211.14830	4.3
213.08009	13.3
217.07446	7.4
219.13838	5.3
229.07449	40.5
229.19405	3.0
231.09012	21.3
233.15298	3.9
239.17882	4.5
243.09079	7.8
247.08479	17.1
247.20546	6.2
257.18958	15.6
261.14804	5.4
275.17084	5.6
275.20084	100.0
276.20551	5.1
279.15906	3.8
291.06516	5.5
293.21335	6.2
306.08853	7.7
314.81815	3.3
321.11139	5.5
331.15656	5.8
334.08551	15.5
349.06726	54.5
349.10629	75.6
349.16660	25.0
349.20010	12.0
349.23221	26.4
349.27420	4.6
350.07071	5.9
350.11002	7.6
350.17548	4.2
367.17828	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	349.1984
Annotation	(plusmn)-JWH 073 N-(3-hydroxybutyl) metabolite-d5
Peak:m/z	Relative Intensity
55.01859	0.9
55.05519	1.0
61.85393	0.7
67.05491	2.8
69.07055	1.6
69.44299	1.4
69.44727	3.5
76.59354	0.7
79.05472	2.4
81.07053	3.8
83.08603	0.7
91.05463	3.0
93.07025	2.3
95.08604	3.2
105.07027	2.8
107.08607	1.7
109.06447	0.7
117.07027	1.0
119.08569	1.4
121.06512	0.8
131.08528	1.3
131.96570	0.7
133.10106	2.3
143.08649	0.7
145.10135	1.7
147.11659	1.4
157.10103	1.0
275.20105	2.0
279.11899	0.8
349.19833	100.0
350.20111	8.2
350.24081	1.3
350.28998	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	349.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77075	1.9
50.81600	1.6
53.03936	3.9
55.01874	4.9
55.05509	7.9
56.00555	1.5
57.03437	6.6
57.07071	3.9
65.03930	3.9
67.05506	25.2
69.03423	6.9
69.07072	11.7
69.11077	1.7
69.11404	17.2
70.36693	1.5
71.04993	12.1
79.05486	25.2
81.03429	3.7
81.07060	26.8
83.04975	4.6
83.08622	5.4
85.06535	2.7
91.05474	23.1
93.07050	21.3
95.04961	8.8
95.08608	19.9
97.06530	4.6
97.10169	2.1
104.79038	1.8
105.07018	26.9
107.04957	4.3
107.08588	33.6
109.02901	2.9
109.06524	16.5
109.10169	13.1
111.04465	3.5
111.08071	3.6
113.05987	2.2
115.05473	2.1
117.06998	6.0
118.47472	1.6
119.08595	18.7
121.06515	7.4
121.10135	12.9
123.04508	1.8
123.08075	29.6
123.11674	7.7
125.09642	2.5
129.07021	4.4
131.08563	10.6
133.06485	48.0
133.10121	29.6
135.04440	2.1
135.08031	10.3
135.11703	6.5
136.08801	1.7
137.06012	4.5
137.09601	3.8
139.11226	1.6
141.06984	2.0
143.08595	3.1
145.06590	2.0
145.10159	9.8
147.08076	7.4
147.11685	7.8
149.09589	8.1
149.13258	2.0
151.07544	5.2
151.11177	90.3
152.11488	3.0
153.09210	1.6
155.08516	2.5
157.04919	2.2
157.10132	3.9
159.08083	2.5
159.11691	7.7
161.09579	2.0
161.13158	3.1
163.07573	5.7
163.11192	5.3
165.06982	2.0
169.10208	3.1
171.08055	2.2
171.11710	5.5
173.09616	3.3
173.13226	4.0
175.07579	8.9
175.11198	2.5
176.08229	2.6
177.09119	5.0
177.12817	1.7
181.08600	12.3
183.11708	3.1
185.05869	2.5
185.09727	2.3
186.62096	1.8
189.09195	2.1
189.12787	5.1
191.10670	2.0
192.51175	1.9
193.08612	5.6
193.12267	5.2
195.13963	1.9
197.13280	3.0
199.11153	7.4
201.12735	7.7
207.13840	5.1
215.10797	2.3
215.14439	2.7
217.12175	10.9
219.13771	3.2
222.07088	2.0
227.10654	19.1
233.11580	2.2
235.13342	5.9
243.13931	8.1
245.11722	37.5
251.12831	3.0
253.12231	2.1
257.19077	5.0
261.14886	6.8
263.12793	100.0
264.13168	4.9
275.20038	11.9
279.15915	8.2
285.18466	2.9
295.16751	4.6
313.17923	5.9
319.04404	2.3
331.19101	20.0
331.22891	2.9
334.07028	2.1
349.06546	11.9
349.13870	3.2
349.19934	7.5
349.23810	12.1
349.28159	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	349.2006
Annotation	14,15-Epoxy-xeniolide H
Peak:m/z	Relative Intensity
53.26772	0.8
55.01869	2.7
55.05505	4.4
57.03435	2.7
57.07064	1.8
67.05505	11.9
69.03429	6.0
69.07069	3.4
71.01336	0.9
71.04996	12.4
75.32191	0.9
79.05484	9.3
81.03405	1.3
81.07060	12.0
83.04977	2.5
85.06519	1.8
91.05478	9.3
93.07041	8.6
95.04967	3.5
95.08603	13.4
97.06517	2.1
105.07032	20.3
107.04929	1.2
107.08588	18.2
109.06523	9.1
109.10161	8.1
110.30858	1.0
111.04457	2.4
111.08000	1.0
113.05975	4.5
117.06991	2.6
119.08566	6.6
121.06493	3.0
121.10117	6.3
123.04397	1.6
123.08062	27.5
123.11700	3.6
125.05990	1.7
125.09644	1.2
129.07062	1.4
131.08575	5.2
133.06493	44.9
133.10132	22.1
135.08067	5.6
135.11685	2.2
136.08905	1.5
137.05927	2.4
137.09610	3.5
139.03885	1.3
143.08580	2.7
145.10081	4.5
147.08057	4.5
147.11708	2.6
149.09631	6.1
149.13185	1.8
151.07532	4.1
151.11182	87.3
152.11499	2.6
155.08585	1.2
156.09412	1.0
157.04941	3.0
157.10081	1.8
159.08058	2.9
159.11684	3.1
161.06055	1.5
161.09616	3.3
161.13252	1.6
163.07594	7.3
163.11121	1.0
163.14777	1.2
165.09103	1.7
171.08090	1.2
171.11673	3.6
173.09634	2.7
173.13147	2.2
175.07576	7.1
175.11157	2.7
177.09108	2.2
177.12788	2.0
179.07060	1.3
181.08626	9.7
181.10088	1.7
183.11743	1.9
185.09589	1.3
187.11238	1.2
187.14838	1.5
189.09149	3.8
189.12779	4.4
191.06999	1.1
191.10674	1.7
191.14357	1.7
193.08569	6.7
193.12323	1.4
197.13284	2.2
199.11110	7.1
200.11429	1.0
201.08995	1.3
201.12730	3.8
203.10622	1.4
207.13770	3.6
212.08284	1.3
215.14293	2.2
217.12238	9.6
219.10222	2.5
219.13882	2.7
227.10663	14.4
228.10997	1.2
233.11700	1.4
233.15396	1.5
235.13162	4.7
243.13759	5.5
245.11729	30.5
246.12027	2.5
249.11134	1.6
251.12741	1.2
253.12315	1.7
257.18979	1.5
261.14841	4.5
263.12787	100.0
264.13113	4.9
267.51944	1.3
275.20093	2.2
279.15884	8.4
285.18536	1.0
295.16937	2.9
303.19702	1.9
313.17914	7.2
331.15265	1.0
331.19037	20.6
332.19501	1.4
349.06827	1.3
349.10550	1.1
349.16174	2.4
349.19885	38.9
349.23621	2.8
349.28671	1.9
350.20276	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	349.2006
Annotation	Gibberellin A110
Peak:m/z	Relative Intensity
55.05506	2.2
58.54664	0.7
59.04986	0.7
59.27452	0.7
67.05499	4.5
69.03422	1.1
69.07065	2.8
69.43002	5.2
71.04968	1.0
79.05492	3.8
81.07056	8.1
83.04980	1.2
85.06523	1.6
86.26080	0.6
87.92316	0.6
91.05459	5.1
93.07056	5.8
95.04942	2.9
95.08604	7.3
97.06522	3.4
97.10159	2.3
105.07035	7.9
107.04913	1.3
107.08586	4.3
109.06509	3.0
109.10136	4.1
117.06995	2.4
119.08566	8.6
121.06511	3.1
121.10134	2.9
123.08081	1.9
129.06961	1.5
131.08549	4.3
133.10126	3.2
135.08063	3.4
135.11665	1.3
137.05956	1.7
137.09650	1.0
142.07773	0.9
143.08530	3.1
145.06441	1.7
145.10110	5.5
147.08038	2.5
147.11668	2.5
149.09554	4.5
149.13228	1.9
151.11186	0.9
155.08527	2.3
156.09262	0.9
157.10103	4.7
159.08043	2.7
159.11670	5.7
161.09608	2.2
161.13225	3.1
163.11255	1.1
169.10130	4.6
171.08046	1.1
171.11658	4.5
173.09639	3.9
173.13300	3.4
175.11191	1.5
177.12723	2.4
181.10081	1.6
183.11678	6.9
184.12184	0.7
185.09586	1.8
185.13203	2.3
187.11194	2.1
189.09106	1.1
189.12703	1.3
193.10132	1.4
195.11627	1.1
196.12485	1.6
197.09631	1.5
197.13268	4.1
199.11198	1.6
199.14888	1.0
201.09099	1.0
201.12727	2.6
203.10742	1.6
207.10060	1.3
207.11792	1.4
208.12292	0.8
209.13155	1.7
211.11154	3.0
211.14775	7.3
213.16338	1.0
215.10603	0.8
215.14368	0.8
215.17903	1.2
221.13348	1.3
223.14714	1.8
225.12827	0.9
225.16380	2.8
227.14314	3.4
229.12222	2.1
229.15910	1.6
229.19609	1.0
239.14226	2.4
239.17967	7.4
241.15887	1.0
243.17351	2.9
249.16394	3.6
257.15433	2.2
257.19016	6.7
267.17432	13.4
268.17853	1.0
285.18463	100.0
286.18759	6.5
303.19504	49.9
304.19998	4.2
331.19003	11.4
332.19363	1.4
349.16281	1.3
349.20206	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	349.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02351	1.7
53.03947	10.9
55.01654	1.5
55.01872	14.0
55.05508	21.4
56.96538	1.4
57.03432	9.5
57.07064	1.4
58.02985	1.2
65.03945	2.2
67.05503	48.1
68.05842	1.4
68.99775	1.5
69.03426	3.1
69.07066	36.5
69.14487	8.2
69.14911	3.8
70.07396	1.9
71.04996	1.8
79.05487	40.4
81.03419	18.1
81.07055	52.7
83.04973	8.5
83.08621	7.1
85.06537	3.1
91.05477	48.7
93.07039	36.8
94.95111	1.4
95.01340	9.8
95.01900	1.8
95.04977	15.1
95.08029	2.3
95.08604	32.8
95.09209	1.6
97.02866	1.6
97.06528	16.3
97.10174	5.7
99.08067	1.9
103.05455	2.0
105.07023	50.5
106.07336	1.6
107.04952	24.4
107.08581	18.1
109.02888	8.7
109.06513	4.6
109.10159	10.7
111.04434	1.6
111.08078	3.6
115.05441	1.9
115.20198	1.2
117.07021	17.1
119.08576	26.8
121.05203	1.2
121.06467	5.4
121.10136	9.7
123.04428	5.7
123.08080	6.2
123.11696	3.2
125.09628	5.0
128.06233	1.6
129.07001	3.8
131.04950	1.3
131.08563	18.5
133.06483	3.5
133.10118	37.8
135.08051	5.0
135.11688	7.5
137.05997	1.3
139.07513	2.2
141.06969	2.3
143.08568	4.2
145.06496	3.9
145.10114	14.9
147.11685	12.0
148.12135	1.4
149.09583	5.6
149.13237	4.8
151.11188	2.4
153.09131	5.7
155.08546	1.6
157.10066	2.8
159.08037	1.8
159.11684	12.3
161.09587	6.8
161.13258	4.8
163.11162	5.2
165.09146	1.7
169.10127	4.0
171.11737	2.4
172.55330	1.5
173.13313	2.8
175.14714	1.8
177.12689	4.9
179.10709	2.7
179.14304	14.2
183.11661	3.5
185.13342	1.9
187.11194	4.0
187.14905	2.0
193.12251	3.3
197.13232	3.0
205.12302	1.9
229.19489	2.3
247.20621	2.1
257.19016	5.0
275.20084	26.1
276.20309	1.8
281.37994	1.4
331.19144	1.9
349.06805	100.0
349.19913	5.3
349.23703	16.6
349.27966	2.2
350.07169	10.8
350.20325	1.4
350.24612	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	18.8
55.01865	20.9
55.05504	25.3
57.03436	25.0
57.07072	5.5
57.48566	4.8
58.44177	4.1
62.38892	4.8
62.45580	4.8
65.03941	6.5
67.05504	76.8
69.03425	5.1
69.07064	71.7
69.81032	20.6
71.04971	7.0
79.05493	60.6
81.03423	30.7
81.07049	100.0
83.04977	17.3
83.08606	13.5
85.06493	5.7
90.76035	4.5
91.05473	75.5
93.07044	69.2
95.01315	23.9
95.04968	16.9
95.08608	70.9
97.06532	17.6
97.10140	6.8
98.23362	5.4
105.07004	90.4
107.04933	38.9
107.08598	31.8
109.06504	8.8
109.10143	19.1
111.08105	6.3
112.25765	4.3
117.06994	32.3
119.08571	52.2
121.10132	20.5
123.04375	4.5
123.08055	14.9
125.09696	5.2
126.44308	5.6
131.08554	34.6
133.10120	63.6
135.08034	10.5
135.11667	15.9
141.07014	6.4
143.08516	4.8
145.06490	8.1
145.10144	33.1
147.07935	6.8
147.11690	26.3
149.09624	10.2
149.13208	10.6
151.11237	6.2
157.10173	8.0
159.11688	27.0
161.13269	14.8
165.09155	7.0
171.11859	13.7
177.12738	10.7
179.14282	33.2
183.11691	6.1
185.13335	4.7
185.34302	4.3
197.13176	6.5
205.12282	7.0
242.54625	5.1
257.18961	10.6
264.77261	4.4
275.20132	48.9
287.30182	5.9
303.21490	9.9
331.21582	6.0
349.19833	13.3
349.23965	33.6
349.27942	7.7
349.33975	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	349.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	9.1
55.01861	12.2
55.05508	50.7
56.08861	1.4
57.03428	15.0
57.07076	2.7
57.60607	1.4
59.04996	2.5
65.03936	2.5
67.05147	2.6
67.05503	50.7
69.03429	5.0
69.07069	17.8
71.04983	3.7
71.33585	1.3
74.04115	1.6
79.05491	100.0
80.05828	3.8
81.03404	7.3
81.07052	45.1
83.04977	29.8
83.08627	12.4
85.06531	2.6
85.09776	1.7
88.07612	2.3
91.05477	43.1
93.07043	66.1
95.01320	1.8
95.04960	14.2
95.08607	24.9
97.06527	7.7
97.10163	13.6
103.05475	2.2
105.07013	37.7
107.04942	30.0
107.05643	1.9
107.08590	58.0
109.06535	6.3
109.10149	25.0
111.08109	4.8
115.05421	2.2
117.07022	13.2
119.08575	24.5
121.06516	4.2
121.10138	21.8
123.08064	3.5
123.11706	5.9
125.09604	15.1
129.07037	4.0
131.08543	17.3
133.10126	23.7
135.08047	9.2
135.11632	8.0
137.09631	3.0
143.08513	3.8
145.06396	2.0
145.10117	13.1
147.11656	14.2
149.09615	49.1
149.13254	3.6
150.10022	1.7
153.09097	3.4
157.10138	3.3
159.11647	10.8
161.13252	3.3
163.11137	4.2
163.14795	5.0
169.10114	2.5
169.12283	3.8
171.10352	1.6
171.11844	4.9
173.11827	3.9
173.13324	6.8
175.11310	1.6
178.16711	1.5
179.14336	2.8
187.14804	3.4
189.11243	7.6
191.14305	2.7
193.12343	2.0
197.13232	2.2
205.12148	1.4
206.08713	1.6
209.15367	3.2
215.14415	1.7
229.19504	2.3
257.19025	6.4
268.10077	1.5
275.20029	39.1
276.20425	5.1
315.19623	3.1
321.59317	1.4
331.22363	1.9
349.10397	1.9
349.19867	4.1
349.23651	26.3
349.27719	3.3
349.34085	4.5
350.27377	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.3
55.01868	8.2
55.05506	18.9
56.96554	6.0
57.03444	17.5
57.03703	3.5
57.07073	2.6
58.87172	1.9
65.03956	2.1
66.19587	2.0
67.05502	37.1
69.03445	3.9
69.07059	24.0
69.51778	11.4
69.81153	2.0
71.05003	2.8
79.05502	33.1
81.07056	49.9
81.07494	4.2
83.04979	8.0
83.08619	6.2
85.06533	2.8
88.07629	2.4
91.05476	33.2
93.07042	46.6
93.07591	3.3
94.07347	2.0
94.95587	2.0
95.04979	11.9
95.08603	26.1
97.06512	7.2
97.10148	2.3
97.56779	2.2
98.23266	2.6
103.05507	1.9
105.04560	2.0
105.07014	26.9
107.04973	12.4
107.08596	31.0
109.06509	17.5
109.10168	11.5
111.08115	3.2
115.05479	3.9
116.75431	1.9
117.07030	11.0
119.08579	21.2
121.06506	12.3
121.10132	15.4
123.08070	7.0
123.11748	5.0
125.09547	2.8
129.06929	3.2
129.24550	2.3
131.08557	23.2
133.06500	6.0
133.10120	20.4
135.08064	7.7
135.11716	8.4
137.09628	4.3
141.07076	2.3
143.08557	3.9
145.06465	4.3
145.10120	21.3
147.08066	6.9
147.11656	17.6
149.09587	10.9
149.13268	5.8
151.11180	7.0
157.10149	7.8
159.08061	2.9
159.11717	10.2
161.09619	5.0
161.13240	3.4
161.44490	2.2
163.11156	7.0
169.10271	2.8
171.11827	6.9
173.09612	3.5
173.13257	9.4
175.11081	3.0
175.14882	2.4
177.12733	3.1
179.10741	2.6
183.11716	4.2
187.11130	3.8
197.13216	4.6
201.12753	4.1
207.13817	6.3
213.07832	3.3
215.18015	2.2
219.13773	5.2
225.16415	2.0
229.07475	10.4
229.19368	3.1
231.09055	3.8
239.18001	4.6
243.08961	3.7
247.08481	5.0
247.20522	5.2
257.18936	14.7
275.20056	100.0
276.20422	8.0
293.08917	2.2
293.21078	8.9
300.76178	2.1
311.10010	2.1
349.16562	5.9
349.19757	12.3
349.23688	22.8
349.27496	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	349.2737
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.05504	8.0
57.07058	4.7
67.05507	8.8
69.07062	14.6
71.04990	3.0
71.08614	1.8
79.05479	4.2
81.07053	12.9
83.08611	6.8
85.06552	2.5
91.05462	3.6
93.07042	6.0
95.08598	10.0
97.06521	3.6
97.10191	1.9
98.23322	3.7
105.07041	2.7
107.08597	4.7
109.06529	9.8
109.10155	5.5
111.08115	2.7
117.06985	1.7
119.08585	4.0
121.10147	4.6
123.08064	80.6
123.11711	1.8
124.08378	2.6
125.09626	2.1
131.08591	1.9
133.10133	3.2
135.08101	5.3
135.11740	2.3
137.09627	5.0
147.11691	3.4
149.13257	3.0
159.11673	3.4
161.13245	2.3
163.11311	1.7
179.14293	8.2
293.21088	20.5
294.21780	1.8
331.26245	4.1
349.27359	100.0
350.27698	7.7
357.16956	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2734
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.03936	0.4
54.31685	0.5
55.01865	1.1
55.05512	6.3
57.03429	0.9
57.07071	2.2
57.25211	0.5
59.04991	0.6
67.05501	5.9
69.03410	0.6
69.07064	12.4
70.49039	1.0
70.49373	0.6
71.04980	1.4
71.08623	1.3
73.06542	0.4
79.05481	4.6
81.07048	9.3
83.04939	1.0
83.08615	5.1
83.09090	0.6
85.06542	0.9
91.05478	2.9
92.52361	0.5
93.07040	5.8
95.04980	1.0
95.08603	9.0
97.06516	2.0
97.10152	1.1
105.07005	3.2
107.08582	6.7
109.06509	12.8
109.10139	4.1
111.08085	2.5
111.93449	0.4
114.66412	0.4
117.06998	0.9
119.08587	4.0
121.06520	0.6
121.10132	4.6
122.07254	0.5
123.08059	69.8
123.11725	1.7
124.08388	1.8
131.08578	1.1
133.10118	3.0
135.08054	6.2
135.11678	2.0
137.09605	4.6
137.13275	0.6
145.10097	1.5
147.11673	1.9
149.09639	1.6
149.13228	2.2
151.11179	0.4
159.11693	1.6
161.13251	1.3
163.11093	0.6
165.12779	1.3
167.14238	0.7
171.11845	0.5
173.13263	1.1
175.14857	1.3
177.12830	0.5
179.14301	13.8
183.04860	0.4
233.18799	0.6
275.20087	2.0
281.20953	0.7
289.25232	0.9
293.17868	1.0
293.21075	16.6
293.24374	0.8
294.21445	0.8
303.26733	0.7
307.22665	0.9
331.26257	4.5
349.27350	100.0
350.27692	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	349.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87124	1.2
55.05505	3.1
56.29308	1.3
57.07074	36.3
57.07355	2.0
59.37081	1.2
61.23615	1.2
67.05495	6.3
69.07070	4.5
69.13677	2.7
69.14088	9.2
71.08625	22.4
73.06556	3.3
79.05492	2.5
79.68456	1.2
81.07039	7.8
83.08616	3.5
85.10178	18.8
87.04428	1.3
88.58964	1.2
89.06026	100.0
90.06381	2.1
91.05483	1.6
93.07038	4.9
95.08610	9.0
97.10178	4.6
98.23358	2.7
99.11735	2.6
105.07024	1.8
107.07072	5.1
107.08595	3.8
109.06528	2.3
109.10148	3.3
111.60274	1.6
119.08591	1.7
121.10172	3.1
123.08061	3.8
133.08598	31.8
133.10127	1.9
134.64632	1.2
135.11705	2.5
137.13228	1.4
151.09648	3.5
153.17496	1.2
159.11690	1.4
171.11620	2.1
177.11235	4.6
179.14323	5.2
188.02341	1.1
195.12279	21.0
198.14865	1.8
331.26328	1.4
331.29932	1.7
349.23444	3.2
349.27737	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	350.1344
Annotation	MITOMYCIN B
Peak:m/z	Relative Intensity
53.03928	0.8
55.01857	0.9
57.03434	2.9
59.04996	0.3
59.71761	0.5
61.02919	1.9
69.03062	0.5
69.03423	8.3
69.07054	0.3
71.01339	1.1
71.04988	2.2
73.02917	1.3
79.05470	0.6
81.03411	1.9
83.04985	0.3
84.18617	0.3
85.02904	0.3
87.04474	0.3
91.05467	1.3
93.07018	0.8
95.08578	0.5
97.02887	0.3
97.06508	0.8
99.04445	2.3
105.07001	1.0
107.08582	0.5
109.10127	0.3
116.04964	0.6
117.05488	0.7
118.06540	4.2
119.08562	0.3
120.08080	0.6
127.03917	0.4
130.06490	0.3
131.06017	0.3
132.06834	0.4
132.08075	0.9
133.06491	0.8
133.10136	0.6
135.11676	1.0
137.05931	0.3
140.53729	0.3
145.07600	15.1
146.08304	0.8
147.09161	21.2
148.09509	0.5
151.03893	0.3
153.12778	0.5
157.07584	0.9
159.09163	10.0
160.09964	1.7
161.10745	0.6
170.08377	0.3
171.09081	0.3
171.13779	0.4
172.09949	0.3
173.07085	2.2
173.10739	0.9
175.08669	1.3
183.09181	0.3
184.09897	0.5
185.10721	3.4
186.11432	0.5
187.08633	1.0
187.12245	1.1
189.10199	0.8
191.08138	100.0
192.08487	3.8
197.10736	1.7
199.08617	0.9
199.12291	1.2
200.09341	0.5
201.10280	0.6
202.10869	0.3
211.08572	0.4
213.10201	1.8
215.11868	1.4
216.07663	9.5
219.11279	0.3
225.10231	1.4
227.11751	0.3
231.11250	0.4
233.09233	0.5
243.11377	0.6
245.09209	0.5
245.12819	0.5
259.10843	0.5
263.13876	6.1
264.14191	0.3
271.10773	1.0
289.11761	3.9
307.12845	54.3
308.13193	3.1
316.64017	0.3
348.12939	0.3
350.13409	44.5
351.13870	3.0
363.53101	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	6.9
58.83884	6.8
62.49467	6.0
65.03927	12.1
69.04464	67.9
70.06586	16.2
71.58008	6.0
85.02901	16.8
87.28695	6.2
98.23296	16.0
101.37341	6.1
103.76911	6.2
111.04430	25.5
116.17337	6.3
120.22753	5.5
139.03900	89.7
149.70319	7.3
152.84880	8.2
166.04944	6.2
171.06522	100.0
196.94675	5.7
207.61116	6.5
276.69696	8.7
291.02435	7.6
351.05035	10.8
369.98773	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	350.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05648	1.4
61.02921	1.3
69.03452	2.2
70.06593	3.0
71.32003	1.5
78.98499	1.1
79.05495	3.3
85.02905	4.9
85.36083	1.1
98.97594	1.5
103.74701	1.4
107.04944	15.4
114.80937	1.5
119.01891	3.3
131.54742	1.3
135.04410	10.8
136.06213	2.1
153.01897	6.0
153.05461	100.0
154.05777	2.8
171.06543	27.0
188.12918	1.6
194.05278	3.9
238.06471	1.3
248.22552	1.3
309.08640	2.0
350.09393	3.7
351.09479	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0687
Annotation	Unknow
Peak:m/z	Relative Intensity
62.76789	3.2
70.06586	5.2
71.30176	5.9
79.01812	3.8
101.00877	10.8
119.01932	17.2
121.01661	8.3
123.76170	4.1
127.02431	3.9
129.03989	3.7
131.01913	5.2
133.01677	4.8
133.03419	9.5
143.01849	5.0
145.03476	8.6
147.05055	6.4
155.01839	5.7
157.03491	7.2
161.03001	5.8
171.04968	4.4
173.02905	4.9
185.02966	6.2
187.76303	4.0
189.00790	5.0
189.02451	6.7
189.04198	4.4
189.06039	8.9
201.06073	8.2
203.03996	9.1
221.05148	4.7
231.03528	9.7
246.92575	30.0
249.02905	5.0
259.12582	3.6
263.06107	5.4
270.97070	5.4
272.04092	4.1
291.09241	14.3
350.97543	4.6
351.06863	100.0
351.12259	46.7
351.18842	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56571	1.9
58.99852	1.8
60.34535	1.7
61.40459	1.5
63.54346	1.8
69.81104	6.0
82.99851	6.2
85.01404	5.8
97.01423	3.6
100.00100	1.9
101.00876	42.4
102.00922	3.0
102.51750	1.6
103.02452	16.7
113.00846	13.2
115.02400	12.4
117.03999	1.8
119.01093	3.2
119.01916	37.0
121.03441	3.7
127.02420	27.8
129.00328	8.4
131.01904	20.9
133.03468	58.8
134.03534	3.8
137.02959	2.2
139.02434	9.1
143.01900	36.3
144.02017	5.1
145.03465	65.6
146.03589	3.5
147.01381	18.1
151.04518	10.8
155.01881	37.9
157.03465	55.6
158.03560	3.2
159.01416	3.4
159.05031	3.0
161.02960	29.1
163.04486	3.7
169.03471	4.6
171.01405	4.3
171.04898	3.2
173.02959	46.3
174.03687	4.1
175.04520	43.1
176.04733	3.0
179.00670	3.0
183.01404	8.5
185.02943	43.1
186.03137	3.0
187.04523	31.1
188.04765	1.9
189.02438	14.8
191.03990	4.2
197.02936	3.4
199.04465	3.4
201.02440	25.7
203.00899	3.8
203.03996	97.8
204.01833	2.2
204.04121	7.8
205.05521	2.3
215.04005	24.6
217.05594	3.9
221.01859	6.8
221.03021	2.1
221.05037	21.7
231.03564	4.1
233.05173	3.8
243.03450	15.8
245.05052	100.0
246.05249	5.6
261.04651	2.9
263.06116	84.9
263.08942	4.2
264.06241	8.2
273.01437	4.0
273.04547	13.8
273.52261	2.7
279.05530	2.3
288.52731	1.7
291.02554	3.7
291.05569	40.7
292.05756	4.6
303.05518	6.7
309.03247	3.2
309.06647	48.1
310.06967	3.4
333.06430	2.8
341.90320	1.8
351.07742	49.1
352.07846	5.3
366.10553	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	351.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96284	0.5
56.96566	10.1
66.49331	0.3
69.03417	0.5
70.06599	0.4
70.51620	1.0
71.95260	0.9
77.79723	0.3
84.96030	3.0
85.02882	0.5
97.02899	0.6
98.97583	100.0
99.97903	0.5
101.00885	0.7
103.02428	0.4
106.54541	0.4
110.97561	8.0
112.99131	1.5
116.98624	28.5
119.01943	0.4
121.01691	0.5
124.99078	0.7
126.97031	0.4
127.00689	0.7
128.98615	5.8
129.02289	0.6
129.14709	0.4
131.00165	0.9
131.01942	0.5
133.03484	0.5
134.99663	4.6
140.00200	0.7
140.98573	1.3
143.00169	1.9
144.98070	1.0
145.01703	1.5
145.03497	0.7
146.99666	1.3
147.03290	3.1
152.98558	1.2
153.01836	0.4
157.01620	0.5
158.99654	33.5
160.00046	0.6
161.01259	1.4
163.02719	1.4
165.04341	1.1
170.99625	2.5
171.03305	3.6
173.02873	0.5
174.87625	0.3
175.02773	0.9
177.00717	21.4
178.01160	0.5
187.02942	0.4
189.00751	1.2
189.02589	0.9
189.04330	9.3
193.03831	0.6
195.01723	0.6
200.02335	0.6
201.00687	1.1
201.02512	0.5
201.04295	0.7
203.07626	0.4
207.05382	2.2
211.69765	0.4
214.96455	0.4
215.05824	0.4
219.01776	10.5
219.03763	0.6
231.03456	1.5
231.05479	1.9
237.02818	10.5
240.98080	0.4
245.05092	0.4
247.04893	0.6
249.06445	1.1
255.03838	0.7
284.97034	1.0
291.07474	19.9
292.07745	0.5
309.08554	56.3
310.08990	2.3
332.10266	0.8
351.09592	19.5
352.10056	1.1
352.76538	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40693	1.3
55.01862	1.3
55.05512	2.5
64.77681	1.3
67.05489	4.4
69.07055	3.9
71.59698	1.1
79.05481	3.3
81.07050	7.5
83.08604	1.1
91.05473	4.3
93.07040	7.4
95.08604	8.2
98.23351	2.6
105.07036	5.1
107.08592	4.1
109.06510	1.2
109.10146	4.3
119.08580	3.7
121.10146	3.5
123.11684	1.7
125.06052	1.5
128.81493	1.0
131.08549	1.7
133.10181	4.1
135.11681	3.5
137.13205	2.0
143.08575	1.6
145.10075	2.2
147.11714	4.4
149.13263	2.5
153.05405	1.2
157.10138	2.9
159.11714	3.3
171.11731	3.0
173.13242	1.9
175.03685	12.4
187.03647	9.3
199.07304	31.1
199.14758	1.5
205.34409	1.4
213.16455	2.9
215.18095	1.2
227.17885	1.4
229.19534	1.7
241.19524	2.9
259.20566	2.5
277.21869	1.6
307.13013	2.2
323.12442	2.5
333.10941	4.0
336.05917	1.3
351.08325	9.3
351.12033	100.0
351.21286	3.6
351.26004	2.4
351.30457	9.4
352.12299	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	351.12
Annotation	Cystothiazole E
Peak:m/z	Relative Intensity
50.16632	1.5
51.05308	1.2
51.62118	1.3
51.77604	1.2
55.01873	3.1
55.05503	4.2
57.07071	1.6
62.82341	1.3
67.05498	11.9
67.25707	1.2
69.07060	5.6
69.15009	2.9
69.15416	9.1
71.04985	2.4
71.08626	5.8
79.05482	6.7
80.68888	1.6
81.07057	12.7
83.08614	3.5
85.06548	1.7
91.05469	7.1
93.07052	9.7
95.04973	2.6
95.08613	10.7
97.06550	1.6
99.08060	3.7
99.23170	1.5
103.95294	1.3
105.07016	6.4
107.08609	7.9
109.06522	1.9
109.10152	5.9
111.04409	1.3
111.08079	1.4
119.08575	4.2
121.10133	5.9
123.08085	1.7
123.11702	1.8
125.09666	2.0
131.08598	2.1
133.06456	1.8
133.10161	5.5
135.11711	5.1
137.05977	4.7
137.09622	2.2
145.10098	4.9
147.11679	2.6
149.09521	1.5
149.13240	1.8
151.11098	1.7
159.04222	2.1
159.11642	1.5
161.13245	4.3
163.11174	2.1
171.04163	24.8
171.11955	2.1
172.04968	13.6
173.13266	1.7
175.14891	2.0
179.14330	4.0
197.08044	1.6
199.07390	2.3
199.14848	2.0
201.05186	2.1
202.05980	16.1
209.22659	1.5
233.45743	1.5
234.04951	16.7
277.21683	2.1
319.09378	2.3
333.24600	2.3
351.12012	100.0
351.21439	8.7
351.25418	3.4
352.12393	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	351.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71976	1.6
55.53347	1.4
56.05040	1.5
57.05334	2.0
58.06591	6.8
59.05009	1.8
59.77758	1.5
67.05501	5.8
69.03439	4.2
69.07077	1.5
71.33628	1.8
71.34078	2.0
71.96459	1.6
72.08148	6.9
73.02874	1.4
79.05486	2.6
79.89861	1.4
81.07040	5.1
86.06095	1.8
88.07567	1.5
91.05459	3.9
91.56814	1.7
93.07031	3.2
95.08601	3.6
101.06019	18.8
103.05488	1.5
105.07013	3.6
107.08573	2.0
109.10155	2.5
118.08649	1.9
121.10081	1.6
123.07997	1.6
130.98801	1.5
132.10202	26.8
133.10521	2.2
161.09563	1.8
163.07462	1.6
189.07057	3.5
190.07710	2.8
191.08521	2.4
196.45369	1.8
202.07747	10.0
203.08548	6.4
205.06471	5.7
210.13406	1.6
215.08629	2.3
217.06412	2.1
218.07295	5.0
219.08002	9.2
220.08827	4.3
225.10954	1.9
225.56436	2.1
230.07318	9.9
231.07977	12.6
232.08652	3.2
233.05913	6.1
237.09155	2.8
242.07245	2.1
245.06038	1.9
245.09563	2.4
246.06799	6.0
247.07507	13.9
248.08292	11.1
249.09154	2.2
258.06683	4.4
258.24301	21.3
259.07468	11.3
259.24597	12.8
260.08328	6.7
261.05460	9.5
261.09128	2.0
262.05887	2.3
262.09735	2.2
263.10675	4.2
265.08624	7.5
273.09045	14.6
274.06192	3.7
275.07080	8.8
276.07816	37.2
277.08429	9.6
288.07803	2.6
289.04935	4.1
289.08585	10.0
290.06366	2.3
290.09271	12.7
291.10123	18.1
292.11014	2.6
293.08157	6.1
301.08481	11.1
304.07297	15.8
305.08017	10.0
306.08752	2.6
308.10416	5.1
318.08807	2.0
319.09634	100.0
320.10233	23.0
321.07556	2.2
321.11020	3.0
323.12711	7.8
336.09988	3.9
350.28998	39.8
351.12219	53.7
351.17242	12.3
351.21396	62.0
351.29202	41.2
352.12622	5.9
352.17188	1.7
352.21652	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42533	0.4
69.03423	1.3
69.07047	0.5
71.04987	1.2
71.33996	0.7
73.06551	0.7
79.05482	0.6
81.03432	1.1
81.07063	0.7
84.74001	0.4
85.02892	1.0
89.06017	2.0
91.05515	0.4
93.07058	0.5
96.10378	0.4
97.02894	0.7
101.06009	1.2
107.08622	0.4
109.02892	0.5
120.90662	0.5
127.03857	0.9
133.10156	0.5
153.12729	0.5
161.09631	0.6
175.08691	1.5
185.10751	1.0
187.08669	0.6
188.09349	0.6
189.10297	0.7
199.08611	3.7
200.09447	10.5
201.10222	11.4
202.10851	0.9
206.10547	0.4
212.09532	0.7
213.10205	10.4
213.13568	0.5
214.10986	6.5
215.08371	0.9
215.11797	24.4
216.12463	2.5
217.09683	2.0
219.11278	11.9
225.13783	0.4
226.10918	2.6
227.08144	1.2
227.11795	1.6
228.09029	0.6
228.12544	3.0
231.11322	2.6
232.11990	1.0
233.12881	0.8
241.09764	3.6
241.13312	5.5
242.10484	14.5
242.13165	0.7
242.14110	0.7
243.11226	3.3
245.09258	1.3
254.10524	1.7
255.11226	1.1
256.12024	4.2
259.10794	4.4
260.11557	5.2
261.12326	1.9
269.12839	5.6
270.13437	0.9
271.14432	0.7
272.11353	0.8
274.13062	1.2
277.11877	3.9
278.12308	0.6
282.10037	0.7
287.10812	0.6
287.13867	3.1
288.14447	0.5
289.15527	1.1
297.12354	8.7
298.12823	0.5
300.11002	3.8
305.14978	0.8
315.09702	1.7
315.13339	20.8
316.13818	1.5
333.10809	2.3
333.14426	21.1
334.14825	1.7
351.15491	100.0
352.15823	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	351.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	22.3
56.96557	22.8
67.05494	56.9
69.07054	21.5
69.29558	29.0
69.29993	28.2
71.08639	12.4
78.72980	6.4
79.05492	35.3
81.07053	66.9
83.04997	6.8
83.08611	13.2
91.05475	26.4
93.07043	52.3
95.08621	43.5
97.06519	9.9
97.10174	10.7
98.23219	15.7
99.08038	8.1
100.99615	6.7
105.06985	36.0
107.08596	31.2
109.06511	10.8
109.10117	33.5
117.07042	8.9
119.08593	36.9
121.10168	23.6
123.11703	12.8
129.07048	10.6
131.08553	13.7
133.10123	20.8
135.11705	24.5
137.92308	6.9
145.10173	15.7
147.11699	23.2
157.10124	7.9
159.11668	16.1
159.60501	7.2
161.13278	13.9
171.11865	11.1
173.13353	10.2
175.11145	9.2
175.14771	9.9
199.06465	11.2
213.08104	10.1
218.28922	7.2
229.07561	33.3
231.09079	20.9
247.08488	18.7
259.20633	28.1
261.10013	8.9
348.79105	8.8
351.12265	15.9
351.21786	100.0
351.25452	20.1
351.29895	7.7
352.22079	13.9
369.19531	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	351.2142
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
52.01534	0.3
53.03932	0.4
54.47048	0.4
55.01874	0.6
55.05501	1.0
67.05503	1.5
69.03424	1.1
69.07067	0.5
69.63068	0.8
69.63482	1.1
71.04964	0.4
79.05484	1.5
81.03422	2.4
81.07056	1.6
83.04960	0.6
85.02901	0.7
85.54005	0.3
91.05462	1.7
93.07043	1.6
95.04968	0.6
95.08605	1.6
97.06555	0.5
98.23318	0.5
99.04416	0.4
105.07033	4.4
107.08583	1.6
109.02895	0.6
109.06503	0.7
109.10171	1.0
111.04452	0.4
117.06969	0.7
118.34298	0.3
119.04967	0.4
119.08577	1.4
120.72613	0.4
121.06475	0.6
121.10159	0.7
123.11710	0.8
127.82557	0.3
128.06168	0.5
129.07002	0.6
131.08554	1.1
133.10097	3.5
135.08020	0.4
135.11678	0.5
137.05954	2.0
137.09584	0.5
143.08562	0.7
145.10141	0.7
147.08060	0.7
147.11740	0.6
149.05910	0.5
149.09599	0.6
151.03931	0.5
151.07535	1.3
159.11728	0.7
161.05995	2.8
161.09668	2.0
161.13232	0.7
163.07613	0.4
163.11295	0.5
175.03860	0.5
175.07573	1.2
179.10728	0.4
185.13301	0.4
187.07632	0.4
188.93896	0.3
189.09114	1.2
203.07071	0.4
203.10677	0.9
207.06590	0.7
212.08362	0.6
227.10643	1.5
235.13049	0.7
243.14130	0.3
248.08447	0.5
275.24304	0.4
278.22437	0.3
281.13724	0.5
291.10010	0.7
306.22360	0.4
309.11121	1.9
319.09833	0.4
333.20425	1.2
351.12485	2.6
351.21405	100.0
352.21771	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2138
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
54.56462	1.1
55.05497	4.4
57.03416	2.1
63.71828	1.1
67.05498	6.3
68.03038	1.2
68.31559	1.3
69.07042	3.5
71.08643	1.5
78.47872	1.1
79.05479	5.1
81.03435	1.5
81.07062	8.9
83.08617	2.1
83.99244	1.2
91.05474	4.3
93.07007	6.3
93.82833	1.3
94.65671	1.1
95.08586	6.9
105.06978	1.4
107.08574	5.1
109.10118	2.0
114.53258	1.2
119.08577	3.0
121.10147	2.4
133.10115	1.5
145.10121	1.6
147.11719	2.6
151.03845	3.6
171.11740	1.2
187.07396	1.6
195.09956	1.3
262.10211	1.3
277.21466	1.6
319.09625	1.9
351.12314	7.0
351.21396	100.0
352.21658	8.2
352.25360	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	351.2141
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
53.03951	0.5
55.01864	0.4
55.05505	2.6
57.03439	0.7
57.07079	0.4
67.05499	6.7
69.07060	2.9
69.72080	2.3
71.04994	0.6
79.05494	4.4
81.07048	7.1
83.08611	1.6
85.06541	0.5
91.05482	3.3
93.07035	6.1
95.04976	0.7
95.06168	0.4
95.08602	5.4
97.06537	0.5
97.10151	0.7
99.08095	0.6
105.07019	3.5
107.08588	2.8
109.02863	0.8
109.06505	0.6
109.10154	1.7
111.08113	0.5
117.06998	0.9
119.08594	2.9
120.30975	0.5
121.10160	4.3
123.11702	0.6
131.08586	1.7
133.10101	3.3
135.11682	4.0
135.70946	0.4
137.05919	0.5
137.09662	0.7
143.08609	0.9
145.10133	1.1
147.11697	1.9
149.09618	0.5
149.13269	1.5
157.10144	0.6
159.11702	1.6
161.13255	1.7
171.04214	0.5
171.11761	0.7
172.04852	0.7
173.13283	0.6
175.14841	0.9
179.84808	0.4
185.13210	0.7
199.07336	0.7
241.19495	1.6
243.06502	0.8
259.20459	3.2
260.20889	0.4
277.21591	1.9
319.09464	0.5
333.24515	0.4
351.12598	3.1
351.21399	100.0
351.25214	7.6
352.21786	8.3
352.25787	0.6
369.19336	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.214
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
50.26094	0.4
55.05506	0.9
64.24246	0.6
67.05493	1.1
69.07057	0.8
70.07322	1.6
76.70627	0.5
79.05463	0.7
81.07052	1.8
82.80515	0.4
90.38844	0.5
91.05466	0.9
93.07045	1.1
95.08615	1.0
105.07034	0.9
107.08587	1.1
109.10184	0.7
119.08582	0.6
121.10159	0.9
143.08524	0.5
145.10101	0.5
146.94086	0.5
147.11678	0.5
173.48526	0.5
231.07936	0.6
245.15201	1.1
247.07816	0.5
248.08331	0.5
276.07532	0.5
278.09100	0.5
278.36441	0.4
281.13489	0.7
290.09341	0.5
291.10062	0.5
319.09686	1.7
323.12674	0.6
333.20560	2.2
351.12231	3.6
351.17670	13.7
351.21417	100.0
352.18048	0.9
352.21762	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	351.2139
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
55.01862	1.0
55.05507	1.4
57.07064	0.9
60.18005	0.9
61.75453	0.9
67.05508	5.2
69.07069	1.6
69.25046	6.7
71.08633	1.3
73.71602	0.8
75.98951	0.8
79.05489	4.4
81.07040	4.5
83.08627	1.2
83.33279	0.8
91.05497	2.3
93.07053	3.9
95.08586	4.4
99.08086	1.7
105.07014	4.0
107.05019	0.9
107.08611	3.0
109.06565	0.9
109.10167	1.5
117.07037	1.4
119.08601	3.0
121.06529	1.1
121.10150	1.8
125.09619	1.3
129.07005	0.9
131.08559	2.0
133.10101	1.4
135.11719	1.7
145.10123	1.5
147.11694	1.1
149.13280	1.1
149.38277	0.9
154.36223	0.8
157.10146	0.9
161.13266	1.3
167.82286	0.8
174.98817	0.8
175.50085	0.8
183.08473	1.0
207.40894	1.0
259.20624	1.7
276.04675	0.8
276.07672	1.4
290.09790	1.2
319.09607	1.9
333.20367	4.5
351.12277	4.3
351.17639	24.1
351.21460	100.0
352.17920	1.9
352.21799	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	351.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.9
55.01879	2.2
55.05506	18.1
57.03430	7.9
57.07066	5.1
59.40021	1.4
64.65822	1.5
65.03934	2.2
66.84701	2.2
67.05499	54.0
69.07063	17.8
69.33679	12.3
71.04985	3.9
72.41878	1.4
75.04473	2.2
78.35942	1.6
79.05489	70.4
80.05828	2.4
81.03436	2.9
81.07053	64.0
83.04975	3.3
83.08619	8.8
85.06527	4.4
86.70301	1.4
89.06027	2.7
91.05473	57.8
91.06042	3.1
93.07042	100.0
94.07354	2.3
95.04977	5.5
95.08599	41.5
97.06544	3.2
97.10110	3.9
99.08092	6.1
105.04505	2.4
105.07026	62.6
106.07333	2.1
107.08587	55.8
109.06524	3.2
109.10136	16.3
111.08069	2.8
111.11713	1.7
117.06998	13.7
119.08578	55.0
121.10146	45.6
122.10434	3.0
123.08068	2.0
123.11738	4.2
125.09695	2.0
129.07011	6.8
129.34435	1.7
131.08553	18.7
133.06519	1.9
133.08629	2.8
133.10120	46.9
134.10555	2.6
135.11684	44.0
135.29466	1.6
137.09578	2.3
143.08569	11.8
145.10110	24.8
147.11676	47.8
148.12036	2.1
149.09564	3.7
149.13248	29.5
151.11172	3.3
157.10126	10.9
159.11690	19.5
160.12021	1.8
161.13254	35.9
162.13579	1.8
163.11195	4.7
163.14790	11.2
165.12772	2.3
169.10028	1.5
171.11682	14.8
172.12111	2.9
173.13208	13.1
175.14848	18.6
177.12714	3.4
177.16405	2.8
179.14351	1.9
185.13203	14.2
187.14819	2.4
189.12762	3.2
189.16443	2.1
195.13742	1.7
199.14841	8.6
201.16328	2.6
203.14281	2.9
213.16406	5.5
215.18030	1.8
217.19479	3.4
221.15327	2.4
231.17378	4.2
231.21114	8.1
241.19516	33.9
242.19810	3.0
259.20566	88.4
260.20865	6.0
276.84198	1.6
277.21631	17.7
279.42093	1.7
279.59677	2.1
319.09732	3.2
333.24304	7.9
351.12396	3.8
351.21350	31.4
351.25327	55.1
351.29770	3.5
352.21744	3.0
352.25336	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	351.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	8.1
55.01860	6.4
55.05508	37.8
57.03442	20.3
57.07062	4.4
59.22449	3.0
65.03959	3.6
67.05502	100.0
69.07063	30.8
69.53400	5.8
69.53812	14.1
71.04983	8.7
71.08628	36.6
79.05492	66.2
81.03426	16.9
81.07049	79.8
83.04995	11.7
83.08616	13.8
85.06518	3.7
91.05487	41.7
93.07040	79.0
95.04974	11.6
95.08611	51.2
97.06538	6.9
97.10155	11.9
99.08083	33.6
105.07010	42.1
107.04986	5.4
107.08585	56.0
109.06518	7.2
109.10162	30.2
111.08085	9.3
113.09706	3.0
115.75835	3.4
117.07033	11.6
119.08582	26.5
121.10138	34.8
123.11772	4.3
125.09640	6.0
126.19930	4.4
129.06993	5.6
131.08556	13.1
133.10078	25.2
135.08124	9.8
135.11691	42.1
137.09554	4.1
145.10103	14.2
147.11626	22.7
149.09641	11.5
149.13266	16.0
151.11157	20.9
153.09102	19.0
157.10089	3.7
159.11723	10.3
161.09659	4.0
161.13173	16.5
163.11174	12.2
163.14897	4.8
171.11664	7.6
173.11784	3.2
173.13272	6.0
175.14812	9.1
177.09068	8.4
179.14299	46.0
185.13254	9.4
189.11227	6.7
195.10228	4.7
199.13203	7.8
199.14880	5.3
202.76228	3.4
213.11197	6.9
221.15239	3.6
230.19400	3.5
241.19548	7.6
256.63376	4.0
259.07776	4.0
259.20615	25.6
277.21545	37.7
278.21939	4.4
299.86380	3.2
319.09436	6.4
320.10019	4.2
351.12109	8.9
351.17841	5.3
351.21542	13.6
351.25305	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82423	1.2
53.03943	2.9
55.01879	3.0
55.05510	19.6
57.03433	15.2
57.07076	3.9
60.95079	1.1
65.03938	2.4
67.05503	58.6
69.03429	1.3
69.07062	18.1
71.05016	2.6
71.08631	49.6
72.08979	1.7
73.17470	1.1
79.05491	46.7
81.03418	7.0
81.07054	54.9
82.07397	1.4
83.01003	1.1
83.04981	11.3
83.08617	12.5
85.06534	4.3
87.10187	1.0
91.05475	33.8
93.07042	56.8
93.93787	1.1
94.07393	1.8
95.04961	9.8
95.08604	39.6
96.08955	2.1
96.42439	1.1
97.06512	10.5
97.10164	4.1
98.22578	2.5
99.08091	37.2
105.04530	1.7
105.07024	25.4
107.04968	7.6
107.08598	31.1
109.06554	2.4
109.10157	17.2
111.08089	4.2
113.09645	3.3
117.07011	4.9
119.08579	21.1
121.10143	26.5
122.10429	1.4
123.08081	3.9
123.11716	4.0
125.09616	1.2
129.07053	3.0
131.08559	6.6
133.10132	17.7
135.08093	1.7
135.11688	35.8
137.09639	4.1
139.11237	3.2
141.09123	4.8
143.08554	2.2
145.10117	5.8
147.11728	9.0
149.09596	1.4
149.13228	9.6
149.97528	1.3
151.11160	17.3
153.12755	3.4
159.11694	5.2
161.13232	13.8
163.11156	8.1
163.14798	3.8
165.12813	1.6
167.10739	2.4
171.11700	3.3
173.13290	2.1
175.14796	1.7
177.12758	4.5
179.14302	100.0
180.14662	4.8
185.13268	2.6
189.11139	1.6
189.12787	2.5
191.14436	1.2
195.13864	1.9
199.14825	1.7
221.15370	2.9
231.21091	1.9
235.16991	5.8
240.40109	1.3
241.19519	3.9
259.20645	7.1
277.21609	33.7
278.21979	2.1
305.23013	5.2
333.22617	2.0
351.25369	29.2
351.29703	2.7
352.25653	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11250	3.1
55.05507	18.1
56.18509	2.7
57.03442	5.6
61.56180	2.8
67.05502	37.2
69.07078	7.4
71.04977	4.9
71.33325	4.5
79.05495	40.8
80.05839	3.5
81.03408	2.8
81.07054	40.3
83.08603	5.4
85.06529	5.5
88.00749	3.2
90.08059	2.6
91.05481	38.1
93.07037	53.1
95.04986	8.9
95.08608	34.7
95.12586	2.8
97.06531	7.3
97.10169	3.8
99.08080	3.3
105.07021	42.2
107.08588	34.3
109.10146	14.5
117.07045	10.5
119.08588	37.8
121.10133	23.8
123.11732	6.6
129.07034	8.2
131.08588	15.9
133.10129	31.1
135.08043	3.1
135.11684	29.9
143.08568	8.3
145.10143	20.3
147.08028	3.1
147.11681	36.6
149.09695	4.4
149.13243	12.1
157.10117	8.4
159.11688	16.0
161.13260	24.4
163.14873	7.8
165.09099	3.4
165.12601	3.3
169.10167	4.4
171.11752	6.4
173.13295	9.9
175.14867	12.5
185.13246	9.1
199.14848	3.3
213.16418	4.8
231.21133	5.4
241.19606	16.7
259.20593	58.4
272.51367	3.3
277.21735	8.6
351.21362	100.0
351.25247	87.1
352.21561	6.7
352.25488	7.3
352.31778	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11250	3.1
55.05507	18.1
56.18509	2.7
57.03442	5.6
61.56180	2.8
67.05502	37.2
69.07078	7.4
71.04977	4.9
71.33325	4.5
79.05495	40.8
80.05839	3.5
81.03408	2.8
81.07054	40.3
83.08603	5.4
85.06529	5.5
88.00749	3.2
90.08059	2.6
91.05481	38.1
93.07037	53.1
95.04986	8.9
95.08608	34.7
95.12586	2.8
97.06531	7.3
97.10169	3.8
99.08080	3.3
105.07021	42.2
107.08588	34.3
109.10146	14.5
117.07045	10.5
119.08588	37.8
121.10133	23.8
123.11732	6.6
129.07034	8.2
131.08588	15.9
133.10129	31.1
135.08043	3.1
135.11684	29.9
143.08568	8.3
145.10143	20.3
147.08028	3.1
147.11681	36.6
149.09695	4.4
149.13243	12.1
157.10117	8.4
159.11688	16.0
161.13260	24.4
163.14873	7.8
165.09099	3.4
165.12601	3.3
169.10167	4.4
171.11752	6.4
173.13295	9.9
175.14867	12.5
185.13246	9.1
199.14848	3.3
213.16418	4.8
231.21133	5.4
241.19606	16.7
259.20593	58.4
272.51367	3.3
277.21735	8.6
351.21362	100.0
351.25247	87.1
352.21561	6.7
352.25488	7.3
352.31778	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61290	1.1
53.03947	4.8
55.01876	5.1
55.05515	22.4
56.05818	1.0
56.66315	1.0
57.03439	13.8
57.07069	6.7
65.03937	1.9
67.05505	65.6
68.05817	1.5
69.03425	2.1
69.07068	19.1
69.19045	6.0
69.19456	2.4
71.04997	3.2
71.08632	55.4
79.05495	51.5
80.05828	1.1
81.03415	9.0
81.07057	60.3
82.07394	1.8
83.04985	12.8
83.08612	13.8
85.06544	3.7
91.05479	36.5
92.05835	1.3
93.07043	62.9
94.07399	2.4
94.94390	1.0
95.04977	15.4
95.08610	41.7
95.09220	2.1
97.06535	9.5
97.10168	5.2
99.07449	2.1
99.08096	37.2
99.70515	1.1
101.05996	1.0
103.05493	1.1
105.04463	1.3
105.07026	27.4
106.16584	1.0
107.04954	8.0
107.08591	36.5
109.06510	5.3
109.10155	18.4
111.08103	3.8
113.09671	3.0
115.05444	1.1
117.07010	6.9
119.08582	20.3
121.06506	3.4
121.10144	28.3
123.08083	2.0
123.11725	3.0
125.09630	2.1
127.11198	2.0
129.06995	3.5
131.08586	8.1
133.06487	1.9
133.10130	18.8
135.08090	2.7
135.11691	37.8
135.50404	1.0
136.22646	1.1
137.06015	1.5
137.09634	5.1
137.13206	2.1
139.11217	2.5
140.46761	1.2
141.09085	4.1
143.08569	4.3
145.10123	6.4
147.11720	8.6
149.09601	1.4
149.13269	9.8
150.65787	1.2
151.07501	1.2
151.11183	18.5
152.11481	1.2
153.09074	1.1
153.12738	1.7
155.52139	1.2
157.10175	3.1
159.11693	5.1
161.09569	1.7
161.13255	13.2
163.11198	8.9
163.14867	3.4
165.12706	1.5
167.10690	2.6
171.11731	4.3
173.13339	2.7
175.14845	3.8
177.12766	3.2
179.14305	100.0
180.14659	3.9
181.12268	1.2
183.11816	1.2
185.13313	3.2
187.07568	1.1
189.12741	2.9
199.14928	1.7
203.14284	1.6
207.13780	2.2
213.16306	1.5
221.15402	3.9
227.10559	1.3
231.21014	1.4
235.16997	5.9
241.19453	2.9
259.20572	7.8
277.21637	32.2
278.21927	2.2
351.16019	2.6
351.21881	1.9
351.25232	39.0
351.29871	2.0
352.25601	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	351.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.8
54.35322	3.7
55.05507	41.5
57.03434	15.5
57.07066	12.8
67.05505	82.2
69.07066	49.5
69.22495	14.9
69.22916	8.3
71.04974	3.8
71.08625	4.1
72.08177	3.2
79.05492	39.8
81.07050	100.0
83.04971	4.7
83.08625	28.2
85.06528	3.1
89.33419	3.0
91.05470	30.0
93.07039	55.5
95.04945	4.3
95.08595	86.4
96.08922	3.7
97.06524	12.6
97.10161	17.4
99.08091	4.4
105.07022	20.1
107.08584	33.5
109.10153	37.4
111.08078	4.6
111.11738	3.3
119.08592	20.6
121.10133	55.3
123.11674	20.2
131.08566	5.1
133.10141	11.2
135.11674	31.2
135.66740	2.6
137.09639	3.9
137.13232	7.1
143.08629	4.7
145.10118	11.1
147.11658	11.2
149.13239	13.0
151.14902	3.3
157.10152	3.3
159.11665	4.8
161.13271	8.0
163.14838	8.3
175.14763	6.7
177.16374	3.1
183.11639	3.6
186.03502	2.9
215.18018	4.0
237.18456	2.9
262.06180	14.8
263.06714	3.7
277.25186	6.2
287.27301	3.6
315.26843	10.9
333.27884	38.2
333.31406	5.2
351.08456	18.8
351.28995	63.7
352.28680	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	352.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	4.8
55.18515	3.5
65.02546	4.1
67.05508	11.8
68.11239	3.5
69.03416	5.9
70.72038	8.6
71.04991	17.9
73.65794	3.6
81.07058	6.1
85.02877	7.6
85.06527	5.5
88.54169	3.3
91.05482	6.4
93.07040	10.3
95.04976	4.4
95.08625	24.5
99.04456	5.5
107.08617	4.2
109.10165	16.8
111.08072	29.6
119.08575	13.9
137.09616	33.9
155.10669	100.0
168.93829	3.6
173.11752	54.6
189.51720	4.0
220.12070	4.0
261.03970	4.2
284.16980	4.1
321.11383	4.5
353.13754	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	353.0843
Annotation	4-Methylumbelliferyl beta-D-glucuronide
Peak:m/z	Relative Intensity
53.65679	2.1
68.64603	2.0
69.03421	5.0
69.64281	11.5
85.02906	9.6
87.79053	2.1
97.02891	3.6
127.03915	5.3
143.01949	5.7
155.01883	3.2
161.02992	2.3
173.02995	2.8
174.04536	2.9
183.05038	2.9
185.02969	5.3
203.04019	3.9
245.05064	5.9
263.05978	2.7
353.08435	100.0
354.08615	4.3
365.09229	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93704	0.3
54.38910	0.3
55.01863	2.0
65.03904	0.7
67.59252	0.3
68.99788	6.5
69.15575	1.9
69.15992	1.3
71.01356	2.8
79.05443	0.4
81.03361	0.5
81.07020	0.9
83.04918	0.4
83.53962	0.3
89.03862	1.6
91.05491	2.6
93.06995	0.9
95.04916	0.7
103.05408	1.2
105.06983	0.5
106.30341	0.3
107.04951	2.0
110.03583	0.4
111.04360	1.4
115.05474	2.0
117.03374	2.6
119.04928	2.2
121.06448	1.5
123.04419	13.5
127.05408	0.4
127.88115	0.3
128.06146	0.5
129.06952	0.6
131.04926	2.4
132.61385	0.3
133.06516	0.4
135.04399	9.2
137.01416	0.5
137.02345	6.0
137.05951	2.5
139.03873	0.4
141.06979	1.9
143.04890	0.5
143.08531	0.4
145.02823	3.4
145.06493	1.8
146.03572	1.3
147.04401	44.2
148.04697	2.0
149.05972	15.8
150.06279	0.5
151.03845	0.5
152.06140	1.5
153.06998	1.9
155.04828	0.7
155.08517	0.3
157.06462	0.8
159.04370	1.5
160.05191	5.1
161.05975	4.5
162.06679	0.4
163.03896	43.9
164.04550	3.6
165.05420	2.1
165.06949	1.2
167.08545	3.5
169.06445	1.4
171.08008	0.5
173.04485	0.6
173.05981	11.6
174.06387	0.8
175.03902	4.8
175.07507	0.8
176.04372	0.5
176.06158	0.4
177.05536	0.5
177.06921	2.8
178.07562	0.4
179.08478	0.9
180.05630	0.5
181.06488	5.9
184.05128	0.7
185.05937	0.9
187.03813	1.1
187.07503	1.3
189.05508	2.7
190.07700	0.6
191.06926	0.5
191.08511	1.1
193.06555	0.7
195.08040	8.0
196.08334	0.5
197.05978	8.0
198.06801	1.7
199.07524	6.2
201.05467	4.8
203.08513	0.6
205.04861	3.4
205.06483	6.2
205.10085	0.6
206.05646	1.2
207.08018	0.7
209.05902	0.7
209.09592	0.4
211.07457	0.6
213.05397	1.3
213.09055	2.2
215.06804	1.9
215.08623	0.9
217.04912	0.9
218.07245	0.8
219.08133	1.7
221.05975	3.2
223.07529	30.3
224.07912	2.5
225.05466	8.6
226.06200	3.7
227.06894	1.5
231.06438	0.6
233.05975	2.4
233.09517	0.8
234.06671	1.2
235.07503	1.6
236.08386	0.4
237.05461	0.5
237.09073	2.5
239.06947	1.0
241.08586	3.9
242.05666	1.7
243.06401	8.2
244.06866	0.5
247.07617	3.9
248.08124	0.6
249.05475	1.7
250.06189	2.0
251.07028	20.3
252.07642	3.1
255.06393	0.4
259.07272	0.4
260.08417	0.4
261.09109	3.6
262.09479	0.5
263.07040	1.9
264.07718	1.1
265.08563	3.7
266.09085	0.5
267.06479	1.4
268.07196	1.4
269.08066	100.0
270.08438	6.2
271.07596	2.1
272.08328	0.4
274.06409	0.5
275.07001	1.4
277.04898	1.1
277.44220	0.4
278.05588	0.8
279.06531	2.2
279.10028	0.8
280.07196	0.6
281.08124	0.9
283.09811	2.5
288.07968	0.4
289.08572	4.5
290.09024	0.6
291.06439	0.5
292.07281	2.6
293.08054	11.3
294.08383	0.8
295.05991	8.3
296.06592	1.6
299.06918	0.7
300.07614	0.6
303.06448	0.4
307.09616	9.5
308.10080	0.4
309.07632	2.9
309.10880	0.5
311.09109	41.1
312.09354	2.8
317.08032	3.2
318.08453	0.4
325.10690	0.9
335.09073	9.7
335.13177	0.5
336.09430	1.2
353.10190	12.5
353.14658	0.6
354.10568	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98728	0.5
55.01869	2.5
55.78306	0.5
65.83585	0.5
67.05508	0.7
68.99789	7.4
69.07069	0.7
70.06570	0.8
71.01345	2.7
71.37841	1.0
76.50413	0.6
79.05482	0.8
81.03384	0.9
81.07051	1.7
83.04946	1.1
89.03915	2.2
91.05470	3.3
93.03455	0.6
93.84472	0.6
95.04939	0.6
103.05440	1.4
105.07047	0.8
107.04965	2.3
109.02858	1.1
111.04414	0.9
115.05449	1.7
117.03339	3.8
117.06992	1.1
119.04936	2.1
119.08514	0.9
121.06522	0.9
123.04424	12.1
129.06976	1.0
131.04889	3.2
132.05653	0.7
135.04414	9.8
137.02345	5.4
137.05969	2.6
141.06967	1.5
145.02817	2.9
145.06505	2.1
146.03606	1.0
147.04396	45.0
148.04709	1.4
149.05959	17.9
151.03937	0.7
152.06198	1.5
153.07002	2.9
155.04901	0.7
155.08519	0.8
157.06505	0.9
159.04407	2.4
160.05185	5.6
161.05978	5.0
162.06781	1.1
163.03894	47.4
164.04428	3.3
165.05453	2.1
165.06975	1.7
167.07262	0.7
167.08534	3.2
169.06474	1.5
171.04376	0.6
173.05977	12.1
174.06450	0.7
175.03912	7.3
176.06226	0.6
177.05537	1.1
177.06981	2.5
179.08508	1.0
181.06454	7.1
182.06903	0.7
183.07962	0.7
185.06015	0.9
187.07524	1.0
189.05444	2.5
190.07809	0.8
191.06982	1.3
191.08540	1.4
195.08049	8.1
197.05994	7.4
198.06705	1.5
199.07486	6.2
201.05469	6.2
205.04909	2.9
205.06503	6.6
206.05521	0.9
213.05426	1.0
213.09079	2.2
215.06961	2.2
215.08771	1.3
218.07269	1.6
219.07974	2.9
221.06001	3.8
222.06592	0.7
223.07523	34.2
224.07921	2.4
225.05431	8.6
226.06134	3.5
227.06923	2.0
231.06450	0.8
233.05888	2.6
233.09470	1.1
234.06636	1.7
235.07526	1.7
237.05515	0.8
237.09029	2.0
239.07059	1.0
241.08562	4.1
242.05676	1.4
243.06413	8.6
244.06679	0.8
246.23296	0.7
247.07538	4.1
249.05446	2.2
250.05966	1.3
251.07005	21.2
251.10934	0.8
252.07637	3.9
261.09210	3.2
263.07043	3.5
264.07736	1.4
265.08597	3.9
267.06528	1.1
269.08063	100.0
270.08478	7.2
271.07465	1.4
275.06970	2.1
277.04907	1.7
278.05936	0.8
278.09283	0.7
279.06491	2.1
279.09915	0.6
280.07266	0.7
281.08148	1.3
283.09634	3.5
289.08521	4.6
292.07251	3.0
293.08020	10.0
294.08362	1.1
295.06049	8.9
296.06723	3.1
296.09424	0.6
307.06735	0.8
307.09683	7.2
308.10309	0.7
309.07510	2.1
311.09094	39.4
312.09439	3.2
317.08020	2.9
325.10599	1.2
335.09091	9.3
350.20731	0.6
352.29501	1.5
353.10199	11.9
353.14548	1.7
353.19388	2.0
353.29913	0.7
354.10571	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1358
Annotation	cotinine-glucuronide
Peak:m/z	Relative Intensity
51.55466	1.0
54.16135	1.0
55.05516	2.6
67.05504	3.5
69.25237	5.6
69.25659	2.6
79.05475	2.5
81.07051	5.0
83.08588	1.3
91.05476	3.4
93.07045	3.7
95.08620	3.5
97.10166	1.3
105.07024	2.6
107.08604	1.9
109.10156	3.5
110.97077	1.0
119.08566	1.6
131.08560	1.6
133.06393	1.2
133.10210	1.5
135.08064	1.2
135.11713	1.2
139.49617	1.1
145.10213	1.7
147.11647	1.5
147.93445	1.2
171.04109	2.1
218.10976	1.1
228.72586	1.3
249.76067	1.1
321.11215	1.4
353.13599	100.0
353.22321	7.9
354.13870	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.3
53.74414	0.2
54.34772	0.2
65.03935	4.4
66.04723	0.4
69.42564	1.2
69.42979	0.4
69.48010	0.2
69.48393	0.2
72.59351	0.3
74.45054	0.2
77.03944	0.7
78.96682	0.2
79.05477	1.5
87.97855	0.3
91.05473	70.4
92.05803	2.2
95.04942	0.7
105.07028	0.2
107.00457	1.6
108.01263	6.7
112.00774	0.2
115.30885	0.2
117.48492	0.2
123.10453	0.3
152.06255	0.3
169.06418	0.3
183.03574	12.3
184.04349	2.4
185.05136	6.7
186.05399	0.3
190.08888	0.2
201.04666	1.0
202.05284	0.4
209.93202	0.2
219.05746	0.7
261.08282	10.1
262.09006	6.2
263.09344	0.3
265.08319	0.2
269.30875	0.3
293.07205	2.3
294.08014	14.7
295.08344	0.8
318.83926	0.2
353.14493	100.0
354.14847	10.5
354.19330	0.5
375.82095	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	15.2
55.01861	5.6
55.05508	10.7
57.03420	2.9
57.07066	2.0
59.05003	1.9
65.03944	2.6
65.45571	1.3
66.75453	1.2
67.05202	1.5
67.05502	14.2
69.03426	29.1
69.07063	11.6
70.85159	1.8
70.85493	2.9
71.04984	9.1
71.43511	1.2
79.05490	20.0
81.03413	100.0
81.07053	41.1
82.03767	2.0
82.04192	1.4
82.07365	1.4
83.04992	7.6
83.08600	1.9
85.02878	2.9
85.06571	2.1
91.05463	13.8
93.07039	49.3
95.04954	9.7
95.08588	12.8
97.02890	10.5
97.06510	10.7
99.04449	18.4
103.05479	2.5
105.07029	31.3
107.04955	4.9
107.08589	34.8
109.02873	61.5
109.06498	10.6
109.10117	8.6
110.03656	5.5
111.04434	10.6
111.08087	5.8
115.05434	1.6
117.06998	6.0
119.08572	13.0
121.06492	15.4
121.10148	33.1
123.04437	5.0
123.08052	4.8
123.11697	2.3
125.02367	7.2
125.05973	3.7
127.03910	36.7
127.07566	2.9
129.06992	1.5
131.08563	6.5
133.10136	3.7
135.04341	1.4
135.08064	7.5
135.11676	11.0
137.05997	4.2
137.09619	6.1
139.07590	3.6
139.11177	2.9
143.08607	1.9
145.06494	1.9
145.10126	24.8
147.07986	2.5
147.11681	5.1
149.05977	3.7
149.09605	10.1
151.07513	4.4
152.81789	1.3
157.10158	1.6
159.08076	2.3
159.11671	1.8
161.05957	2.6
161.09621	3.6
163.07538	3.4
163.11179	50.2
164.11571	2.4
165.09090	3.2
167.07048	3.5
167.10675	13.0
169.08542	8.0
173.09564	6.2
175.07469	1.7
177.09001	1.4
179.10738	3.4
181.12242	10.9
189.09056	3.2
191.07008	4.9
191.10654	27.7
192.11064	2.0
201.09087	1.9
207.10081	1.6
209.11702	10.9
227.12801	5.6
231.13803	1.4
243.13808	1.4
271.13251	3.1
288.94998	1.4
289.14297	2.6
291.15903	1.7
293.13876	3.3
309.16928	13.7
317.13940	1.9
335.14951	5.1
353.15939	69.0
354.16205	4.3
378.10336	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	1.2
53.03945	13.4
55.01873	5.4
55.05510	10.2
57.03423	2.3
57.14640	1.2
60.49529	1.0
65.03941	2.6
67.01842	1.3
67.05504	13.8
69.03429	27.2
69.07063	13.5
71.04994	11.9
71.32623	1.4
79.05489	21.4
81.03413	100.0
81.07053	46.4
82.03758	2.7
82.04184	1.2
83.04976	11.5
83.08627	2.1
85.02902	3.7
85.06533	2.6
91.05479	14.5
93.07040	48.9
94.07408	1.6
95.04955	8.5
95.08596	14.4
97.02886	10.4
97.06519	8.5
99.04458	16.1
101.06001	1.4
105.07020	27.5
107.04969	5.6
107.08586	41.9
109.02875	62.2
109.06499	11.9
109.10138	5.7
110.03716	5.9
111.04447	10.8
111.08090	7.3
111.11700	1.3
113.05962	1.7
115.05441	1.5
117.07005	4.9
119.08588	11.6
121.06519	15.5
121.10140	37.2
122.10491	2.0
123.04439	4.3
123.08071	4.1
125.02351	9.4
125.05984	3.6
125.09657	1.3
126.03147	1.9
127.03907	34.5
127.07536	4.0
129.06992	1.4
130.07800	2.3
131.08560	7.7
133.06593	1.6
133.10101	5.3
135.08028	8.8
135.11697	12.3
137.05968	2.4
137.09581	5.6
139.07521	1.6
139.11194	3.3
143.08534	1.5
145.06433	1.5
145.10120	25.4
147.08047	2.8
147.11653	5.6
149.05980	3.7
149.09608	14.0
151.07527	3.4
155.08536	1.1
159.08063	2.2
161.06001	2.6
161.08395	1.1
161.09546	5.4
163.07532	3.3
163.11176	55.1
164.11612	1.9
165.09145	3.5
167.07002	3.0
167.10670	13.1
169.08572	11.0
170.50897	1.0
173.09599	6.2
174.79677	1.1
175.07571	3.0
175.11172	1.0
177.09161	1.3
179.10710	2.6
181.12247	10.7
185.09842	1.3
189.09145	3.1
191.07063	5.4
191.10670	28.9
192.11119	1.3
195.10257	1.2
201.09096	2.3
207.10190	1.5
209.08170	1.0
209.11697	11.0
221.09062	1.0
227.12746	5.4
229.12219	1.6
243.13895	1.8
266.32346	1.1
271.13312	2.7
289.14355	1.8
291.15961	1.9
293.13910	3.8
295.11786	2.4
309.16998	16.8
317.13889	2.8
335.14954	6.7
353.15936	66.8
354.16333	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	353.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	11.5
55.01876	5.2
55.05516	9.8
57.03437	2.2
58.34289	1.0
65.03955	1.8
67.05503	9.8
69.03430	25.3
69.07069	12.0
69.14884	7.6
69.15302	2.2
71.04989	9.5
77.03934	1.3
79.05498	22.9
81.03419	89.6
81.07058	42.3
81.07556	1.4
82.03741	1.7
83.04974	9.0
83.08627	1.6
84.04498	1.6
85.02890	5.7
85.06546	2.7
87.04467	1.8
91.05482	13.9
93.06451	2.3
93.07042	44.6
95.04979	10.1
95.08608	14.1
97.02891	9.8
97.06536	6.3
99.04461	14.9
99.08131	1.4
101.06017	1.2
103.05505	2.4
105.03387	1.1
105.07030	29.1
107.04967	6.0
107.08595	38.7
108.08960	1.0
109.02882	59.4
109.06516	10.7
109.10165	7.5
110.03725	5.7
111.04442	9.2
111.08088	8.2
111.11748	1.3
113.05996	2.3
115.05449	2.7
117.07038	3.1
119.08578	11.6
120.08855	1.7
121.06503	15.8
121.10146	31.4
123.04470	3.8
123.08089	5.0
125.02348	9.5
125.06022	2.9
125.09605	1.6
127.03925	30.0
127.07568	1.7
129.07002	2.5
130.07855	1.9
131.08559	7.8
133.06528	3.9
133.10146	7.0
135.04443	1.3
135.08046	10.4
135.11693	11.0
136.06200	1.3
137.06023	5.1
137.09608	6.1
138.53041	1.2
139.03879	1.4
139.07571	1.5
139.11191	3.4
143.08586	3.6
145.06512	2.4
145.10115	25.9
147.04497	2.9
147.08084	3.0
147.11658	6.0
149.06007	5.0
149.09615	14.6
149.13248	1.4
151.03940	6.6
151.07565	5.1
153.09171	2.1
157.10089	1.6
157.12378	1.3
158.07347	1.7
158.10805	1.5
159.08095	3.5
159.11728	1.7
161.06044	3.1
161.09654	3.3
163.07567	5.3
163.11185	52.7
164.11517	1.9
165.09169	3.4
167.07080	5.4
167.10651	13.4
169.08606	9.5
171.08116	2.2
173.06042	1.3
173.09717	4.3
173.13284	2.4
175.07597	2.4
175.11215	2.0
177.09148	1.9
179.10698	1.6
181.12268	8.8
183.11729	1.5
185.10036	1.1
185.11823	2.2
187.07565	1.2
187.11156	1.5
189.09076	3.0
189.12683	1.6
191.07048	8.4
191.10652	33.4
191.12502	1.6
191.14287	10.6
192.07610	1.1
192.11075	2.1
193.08650	1.3
201.09120	1.7
207.10237	2.4
209.08109	1.1
209.11743	13.0
218.07343	1.6
219.10089	1.3
227.12863	5.1
233.09633	1.5
247.15274	1.3
253.12437	1.2
255.12312	1.3
261.09125	1.5
271.13226	1.7
277.10959	1.6
289.14423	2.5
293.13882	3.2
295.11893	1.6
296.56741	1.2
309.16953	14.4
317.13971	2.5
321.11252	2.4
323.09195	2.7
335.11600	1.2
335.15067	5.0
337.86404	1.4
338.11343	1.8
353.15936	100.0
354.16287	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	353.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	14.2
55.01866	4.8
55.05505	10.5
57.03427	3.3
67.05502	10.1
69.03431	23.1
69.07063	12.1
71.04995	10.7
77.03916	1.2
79.05491	22.8
81.03415	100.0
81.07054	42.5
81.07440	0.9
82.03762	1.7
83.04974	9.6
83.08622	1.9
85.02893	2.7
85.06522	2.7
87.04424	1.0
91.05470	13.6
93.07042	47.2
94.07375	1.8
95.04969	8.0
95.08606	12.1
97.02885	8.5
97.06541	7.2
97.10224	1.2
99.04457	18.9
103.05437	1.5
105.07024	26.9
107.04947	4.4
107.08591	32.8
109.02876	58.1
109.06512	8.4
109.10146	8.4
110.03694	6.0
111.04465	10.0
111.08073	8.7
113.06010	1.3
117.07024	4.1
119.08559	10.6
121.06503	14.9
121.10146	31.3
122.10471	1.3
123.04433	4.0
123.08068	3.1
124.05196	1.5
125.02358	6.5
125.06007	1.9
126.03138	2.2
127.03905	32.0
127.07536	3.3
129.06967	1.9
130.07791	1.5
131.04913	2.3
131.08566	3.8
133.06477	3.0
133.10138	5.1
135.04395	1.3
135.08054	8.3
135.11684	9.0
137.05969	4.4
137.09593	5.2
139.07591	1.4
139.11176	3.1
143.08575	2.1
145.06479	2.6
145.10117	21.2
147.08049	3.8
147.11703	4.2
149.05994	3.7
149.09601	12.4
151.07555	3.9
151.11267	1.0
157.41547	1.0
159.08084	1.6
159.11662	2.3
161.05975	3.0
161.09610	3.6
163.07533	4.0
163.11176	49.5
164.11501	2.8
165.09102	2.1
165.12776	1.7
167.10655	12.2
169.08670	6.0
169.09947	1.6
171.08067	1.4
173.09618	6.0
175.07541	2.0
177.09148	1.7
179.10637	1.3
181.12271	8.7
187.11223	1.6
189.09091	2.3
191.07045	4.0
191.10660	27.9
201.09094	2.7
207.10219	1.8
209.11667	9.8
218.07375	1.1
227.12700	5.3
235.09676	1.2
271.13251	1.9
289.14322	1.6
291.16037	2.1
293.13849	3.2
309.16907	12.2
310.17352	1.3
317.13852	2.9
321.11121	1.7
333.49481	1.2
335.14911	6.1
353.15918	76.5
353.23132	2.2
354.13263	5.1
354.16357	4.6
377.40686	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1932
Annotation	Diptocarpidine
Peak:m/z	Relative Intensity
55.01858	0.2
55.05499	0.6
67.05498	1.8
69.07069	0.6
71.33611	0.4
73.13112	0.2
73.60081	0.2
79.05479	1.2
81.07050	2.1
82.17142	0.2
83.08604	0.4
91.05476	1.8
93.07059	1.6
95.05000	0.2
95.08610	1.5
105.07014	0.6
107.08578	1.3
109.10107	0.5
111.08073	0.2
117.07050	0.2
117.12849	0.2
117.56940	0.2
119.08601	0.5
119.82944	0.2
121.10130	1.1
123.08138	0.2
123.11671	0.3
131.08549	0.7
133.10168	0.3
135.11621	0.5
137.05989	0.2
143.08382	0.2
145.10081	0.5
147.11717	0.4
149.13237	0.6
159.11697	0.4
161.13255	0.3
163.14807	0.2
173.06613	0.2
173.13264	0.5
175.14856	0.3
180.16853	0.2
187.14917	0.3
194.07227	0.2
211.08040	0.3
229.09213	0.8
232.08507	0.2
243.21030	0.6
247.10370	0.4
261.08551	0.2
261.22061	1.4
293.11462	0.2
294.08160	0.3
321.11108	0.4
353.19290	100.0
354.15161	0.5
354.19629	8.3
371.19061	0.5
372.19519	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03468	0.5
52.26376	0.5
54.20483	0.6
55.01884	0.6
55.05520	0.6
67.05514	1.5
69.07061	0.6
69.80989	2.7
79.05494	1.3
81.03419	1.1
81.07056	1.6
85.07759	0.7
91.05463	0.7
93.07059	1.1
95.08591	0.9
105.06996	1.2
107.08611	0.7
109.10151	0.8
119.08578	0.8
121.10150	0.9
121.62071	0.6
123.08083	1.6
126.68288	0.6
133.06578	0.8
137.09656	0.8
151.03932	2.4
157.10144	0.7
161.31049	0.6
163.07449	0.7
165.06946	0.8
180.38174	0.6
194.07410	0.6
245.76570	0.5
254.09224	0.6
261.09207	1.0
263.06995	0.9
265.08667	0.7
290.44397	0.7
291.19394	0.7
321.11136	0.8
321.95551	0.6
325.10773	0.9
335.21957	0.9
353.10092	2.4
353.14410	3.1
353.19354	7.6
353.22986	100.0
354.14322	0.8
354.19351	0.7
354.23312	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	353.2684
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
51.22987	1.6
53.03946	2.9
54.53777	1.3
55.01876	2.1
55.05506	16.6
57.03417	3.1
57.07064	6.5
65.03937	5.0
67.05502	98.8
68.05830	2.6
69.07063	16.2
69.32840	10.9
69.61324	1.3
70.06604	7.6
71.04984	2.3
71.08625	4.7
79.05489	52.3
81.07055	100.0
82.07399	1.9
83.08631	11.6
85.06542	4.0
85.10198	2.8
88.07633	10.4
91.05474	27.7
93.07040	67.5
94.07339	1.6
95.04948	3.1
95.08605	68.6
96.08942	3.5
97.06531	3.6
97.10155	3.7
99.08091	6.3
102.09192	2.9
105.04506	2.1
105.07027	20.1
106.08640	3.9
107.08585	41.5
109.06492	2.4
109.10162	25.9
111.08064	1.9
113.09641	4.6
117.07001	9.8
119.08591	14.8
121.10126	29.5
123.08089	2.3
123.11693	14.7
125.09638	1.7
129.07001	2.4
131.08563	23.5
132.08836	1.9
133.10101	13.8
135.11681	23.0
137.13252	6.8
145.10114	15.6
147.11690	13.4
149.09644	2.3
149.13249	22.8
151.11229	1.5
151.14859	4.7
153.12746	2.7
159.11694	11.6
161.13252	11.5
163.11137	2.6
163.14806	14.4
167.14345	1.7
171.11714	2.2
173.13264	16.5
175.14793	4.5
177.16425	7.0
177.49266	1.6
179.14374	2.0
187.14848	10.4
200.87340	1.5
201.16376	4.1
208.91319	1.5
233.22626	4.7
235.07538	1.6
241.62798	1.4
243.21085	26.9
246.90527	1.4
261.22128	69.9
262.22507	6.5
279.23187	2.6
335.25800	6.6
336.32596	2.1
353.26602	4.6
354.33649	61.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2685
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
51.41631	0.6
53.03940	1.9
55.01876	0.8
55.05243	0.8
55.05508	14.6
56.15386	0.5
57.03435	4.8
57.07070	4.1
58.74067	0.5
59.05008	0.7
65.03944	3.0
67.05501	98.5
68.05836	2.3
69.07063	12.8
69.63968	2.8
70.73363	0.5
71.04983	2.5
71.08616	2.1
75.04459	1.1
77.03922	0.9
79.05487	43.2
80.05817	0.6
81.07050	100.0
82.07377	2.4
83.04974	1.4
83.08617	8.0
85.06548	2.6
91.05472	20.9
91.06042	1.2
92.05788	0.6
93.07037	50.8
94.07378	1.9
95.04967	2.4
95.08601	73.7
96.08939	2.0
97.06524	3.0
97.10155	2.4
99.08083	2.9
103.08107	0.5
105.07027	16.0
107.08582	32.6
108.08910	1.4
109.06493	2.2
109.10148	36.7
110.10502	1.2
111.08073	1.5
113.09628	1.5
117.07015	9.2
118.07417	0.6
119.08570	15.9
121.10133	28.2
122.10471	0.9
123.08084	1.4
123.11698	20.5
124.12025	0.9
125.09638	1.0
129.06895	0.6
131.08554	17.9
132.08888	0.6
133.10118	12.1
135.11679	23.0
136.12068	1.1
137.09612	1.6
137.13229	7.3
139.11174	1.0
143.08601	0.6
144.09286	0.6
145.10120	13.1
147.11676	9.2
149.09590	1.4
149.13251	14.9
151.11159	1.4
151.14807	2.0
153.12744	1.4
159.11685	13.1
160.11978	0.6
160.35864	0.5
161.13240	6.6
163.14793	9.9
164.15181	0.6
165.12787	1.8
173.13255	13.4
175.14804	3.0
177.12724	1.0
177.16379	3.2
179.14331	1.3
187.14799	8.3
188.15221	0.7
189.16452	0.9
191.14339	1.1
201.16444	2.7
205.15891	1.4
209.15297	0.8
215.17816	0.6
219.17499	1.3
233.18973	0.6
233.22592	3.7
243.21074	17.8
244.21393	1.7
261.22113	76.7
262.22455	6.7
279.23141	5.9
335.22058	1.0
335.25760	8.9
336.26154	0.7
353.17291	0.7
353.26883	17.8
354.27029	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2682
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03949	3.6
55.05512	14.3
57.03439	7.5
57.07066	4.8
65.03931	3.2
67.05504	99.8
68.05859	1.4
69.07065	15.3
69.92407	4.3
71.04983	2.9
71.08618	1.6
75.04456	1.7
79.05492	47.0
80.05772	1.4
81.07053	100.0
82.07381	2.3
83.04969	1.7
83.08619	6.9
85.06538	2.3
91.05483	22.4
93.07038	54.8
94.07372	2.0
95.04993	3.1
95.08604	77.1
96.08930	1.3
97.06505	2.5
97.10165	4.2
99.08099	1.6
105.07024	15.2
107.08587	34.3
109.06554	1.8
109.10157	40.9
110.10515	1.3
111.08092	2.2
117.07005	8.2
119.08585	14.9
121.10137	32.2
123.11700	22.3
125.09619	1.3
131.08572	20.7
131.30417	1.2
133.10126	13.7
135.11696	24.1
136.12071	1.8
137.13271	8.7
145.10135	13.4
147.11714	7.6
149.13261	19.7
151.11143	2.1
151.14818	2.0
153.12700	2.2
159.11687	15.2
161.13225	9.0
163.11139	1.5
163.14807	11.7
165.12741	1.5
173.13252	14.7
175.14845	1.9
177.16350	4.1
179.14314	2.0
187.14833	10.3
201.16415	3.6
215.18069	1.6
233.22610	3.5
243.21074	18.7
261.22119	91.8
262.22455	7.7
279.23206	6.7
335.25876	7.9
353.26892	20.8
354.27139	1.3
354.33566	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	353.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.1
55.05512	15.5
57.03435	4.4
57.07074	6.1
65.03946	2.9
67.05504	99.9
68.05821	1.8
69.07065	17.1
69.64345	4.1
71.04990	1.6
71.08626	3.7
75.04472	2.0
79.05031	2.2
79.05495	50.4
81.07056	100.0
82.07393	2.5
82.41830	0.9
83.04984	2.2
83.08611	7.7
85.06550	2.9
91.05477	27.4
92.05856	1.1
93.07043	66.4
94.07376	2.6
95.04982	3.3
95.08606	70.8
96.08932	2.4
97.06531	4.0
97.10152	4.7
98.22653	1.3
99.08092	2.7
105.04517	1.2
105.07024	20.9
107.08593	44.3
108.08904	1.8
109.06544	1.8
109.10155	38.2
110.10403	1.1
111.08086	1.8
111.11726	1.6
113.09640	2.3
117.07017	11.3
119.08578	22.3
121.10149	35.1
122.10490	1.2
123.08094	1.4
123.11711	19.4
125.09588	2.4
130.07753	1.0
131.08565	23.2
133.10107	18.1
135.11694	29.2
135.74783	1.0
136.12030	1.2
137.09592	3.0
137.13260	10.4
139.11244	1.3
145.10114	16.8
147.11678	12.7
149.09583	1.6
149.13264	20.7
151.11235	1.3
151.14816	2.2
153.12735	1.7
157.10202	1.3
159.11697	15.8
159.58481	1.0
161.13240	10.4
163.11172	1.8
163.14825	13.4
164.15297	0.9
165.12778	1.4
167.14366	1.2
171.11772	0.9
173.13283	13.6
175.14830	3.6
177.16391	4.1
179.14328	1.4
185.79324	1.0
187.14812	10.3
188.15201	1.8
189.16374	1.6
191.14334	1.7
201.16461	2.8
205.15895	1.4
215.18004	1.5
219.17409	1.4
233.22682	3.9
235.07533	1.1
243.18593	1.4
243.21080	24.0
244.21469	1.5
261.22141	96.4
262.22464	7.4
279.23145	3.7
293.11667	1.8
321.11069	2.3
335.25867	4.4
337.23273	1.1
353.13934	5.9
353.22028	3.2
353.26904	27.1
354.13849	1.1
354.27267	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15317	0.9
53.03937	3.7
55.05509	15.9
57.03436	4.7
57.07069	4.2
58.99815	0.9
65.03927	4.1
67.05500	90.8
67.33553	0.9
68.05836	1.4
69.07061	15.2
69.18183	8.8
71.04987	2.5
71.08622	9.7
75.04464	1.4
77.03926	1.2
77.76097	1.0
79.05024	1.9
79.05489	48.5
81.07050	100.0
82.07384	1.8
83.04983	2.3
83.08604	9.4
85.02904	1.4
85.06544	2.6
87.81351	0.9
88.07629	1.3
91.05473	26.9
91.79101	1.0
92.37274	1.0
93.07039	69.8
94.07384	1.9
95.04963	3.2
95.08601	68.3
95.75607	0.8
96.08929	3.1
97.06535	3.8
97.10170	4.1
99.08090	7.2
105.04517	1.2
105.07021	18.6
107.08588	42.7
108.08915	1.1
109.06528	3.4
109.10152	36.3
110.10519	1.3
111.11694	1.0
113.09636	2.0
117.07010	9.1
118.07323	1.3
119.08572	16.0
120.18545	1.2
121.10138	36.4
122.10456	1.1
123.08039	2.0
123.11697	18.2
123.12513	1.8
125.09634	1.8
131.08549	23.4
132.08878	1.2
133.10121	15.9
135.11673	28.3
137.13242	7.4
139.11241	1.6
143.08504	1.2
145.10114	17.2
147.11681	12.0
149.13234	21.4
150.13516	1.1
151.11197	3.3
151.14845	3.6
153.12740	1.5
157.10139	1.8
159.11702	14.6
161.13228	10.2
163.14838	12.4
165.12779	4.3
173.13257	16.8
174.13664	1.2
175.14845	3.4
177.16383	3.5
187.14828	10.1
188.15208	1.7
191.14317	2.1
191.45567	1.0
201.16440	2.9
205.15811	1.8
215.17921	2.0
219.17435	1.9
233.18944	1.5
233.22749	3.2
238.21715	1.1
243.21056	18.1
244.21509	1.4
245.22649	1.4
261.22110	91.9
262.22470	7.7
279.23239	3.2
284.06772	1.1
291.23132	10.1
299.08997	1.3
309.24255	2.2
335.25809	6.0
336.29083	1.4
353.10162	1.5
353.20123	1.6
353.26895	34.3
354.27271	4.8
354.33609	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	353.2685
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
51.02350	1.1
53.03931	4.4
55.01861	3.3
55.05509	30.8
55.62465	0.8
57.03175	1.5
57.03434	17.0
57.07061	2.4
65.03922	3.6
67.05502	100.0
68.05836	1.8
69.03410	1.4
69.07065	30.7
69.41130	5.8
70.97742	0.8
71.04996	10.3
77.03916	1.1
79.05489	46.0
80.05807	1.5
81.03402	1.5
81.07054	97.9
82.07366	2.5
82.56926	0.8
83.04960	3.6
83.08614	17.9
85.02901	0.9
85.06547	7.2
91.05475	28.6
91.06049	1.6
92.05774	1.1
93.07040	49.6
94.07350	1.0
95.04970	4.3
95.08601	92.3
96.08927	2.6
97.06535	7.5
97.10168	8.7
98.06824	0.9
98.22588	2.0
99.08096	2.0
102.32808	0.9
103.05453	1.1
105.04548	0.9
105.07024	17.4
107.04920	1.7
107.08589	25.3
107.42151	0.8
109.02835	1.4
109.06506	2.0
109.10152	35.0
110.10511	1.4
111.08085	4.7
111.11696	1.6
117.06999	3.7
119.08578	15.8
121.06516	1.5
121.10139	25.8
122.10466	1.2
123.08042	3.1
123.11704	12.2
125.09624	1.8
129.06995	1.8
131.08563	11.2
133.10130	12.7
135.08044	3.2
135.11690	17.7
136.11942	0.9
137.05957	2.4
137.09596	5.1
137.13266	4.6
139.11183	1.6
140.96172	0.9
143.08524	1.1
145.10126	8.3
145.36816	0.9
147.11673	10.4
149.09593	2.5
149.13271	7.3
151.11189	2.6
151.14709	1.3
153.09126	1.2
155.08533	1.0
157.10162	1.2
159.11707	5.0
161.05879	1.0
161.13252	11.5
163.11163	1.8
163.14816	3.6
165.09094	1.2
165.12643	1.1
167.10652	1.0
171.11618	1.4
173.13266	4.1
175.14777	2.9
177.16391	2.7
179.14262	1.5
187.14825	3.7
189.16374	1.1
193.15770	1.0
201.16295	1.2
209.15262	1.3
218.67323	0.9
229.12198	1.1
243.21042	4.3
261.22116	12.6
262.22467	1.7
264.34399	1.0
279.23239	10.2
282.08691	1.2
297.11227	2.6
321.11182	2.2
335.07825	4.1
335.22104	1.0
335.25925	2.3
353.10278	1.8
353.13644	2.4
353.17578	2.5
353.22925	5.5
353.26819	52.4
354.27271	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	354.1181
Annotation	OxIAA-Glc
Peak:m/z	Relative Intensity
50.04242	0.8
61.53746	0.7
69.03431	0.8
69.54159	0.7
69.82402	1.3
69.82814	2.8
85.02895	5.1
94.01975	0.7
97.02891	3.5
97.60479	0.7
98.23232	1.4
109.02878	1.0
114.15477	0.9
115.73917	0.8
118.06560	2.2
121.50902	0.7
128.04973	2.2
130.06538	2.5
132.04427	2.6
132.08076	1.4
136.39987	0.7
142.06505	1.0
145.05232	1.4
146.06000	100.0
147.06310	5.8
149.24835	0.8
158.05977	0.9
159.06863	1.9
160.07550	3.2
163.03909	1.0
168.08055	0.8
170.05948	3.5
174.05501	25.6
174.60880	0.8
176.07106	0.8
184.07512	2.7
188.07057	45.9
189.07372	2.6
192.06549	34.7
193.06808	1.4
196.07562	1.6
204.06491	1.0
212.07126	5.1
216.06516	5.0
217.06938	0.9
224.06850	1.0
231.28896	0.9
234.07576	4.4
242.08127	0.9
254.08249	1.5
258.07642	0.9
270.07608	2.4
308.87073	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.118
Annotation	Unknow
Peak:m/z	Relative Intensity
59.41578	0.6
63.53823	0.6
66.22031	0.6
69.03419	1.7
69.83852	2.5
82.45181	0.7
84.34080	0.6
85.02908	4.8
88.11803	0.6
91.21423	0.6
97.02905	4.4
102.48314	0.5
103.03979	0.6
109.02864	1.3
113.85431	0.7
118.06541	2.8
128.04939	3.5
130.06485	3.5
132.04463	2.0
132.08061	2.1
142.06522	0.8
145.05190	1.8
146.05998	100.0
146.70329	0.7
147.06328	3.6
156.08110	1.2
158.06021	0.7
159.06784	1.8
160.07556	5.3
170.05975	5.7
174.05501	25.0
175.05838	0.8
184.07556	4.9
188.07053	60.2
189.07414	3.7
192.06538	36.1
193.06883	2.0
196.07506	3.1
204.06508	1.4
212.07033	8.6
216.06523	8.7
217.06808	0.6
224.07053	1.5
234.07629	10.4
240.06465	1.5
242.08102	1.5
254.08104	2.3
258.07568	3.2
270.07568	4.7
282.07657	1.0
300.08682	1.3
355.14316	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.3
54.33482	1.1
55.08308	1.0
67.05517	3.2
69.07057	1.5
70.06571	1.8
70.81402	2.6
72.87635	1.0
76.05402	1.3
78.46831	1.0
79.05481	1.9
81.07040	1.5
83.08632	1.5
89.81315	1.1
91.05515	1.9
94.06551	7.1
96.08151	1.4
96.55392	1.2
103.05477	1.3
106.06570	2.0
107.08604	1.4
108.08123	2.5
110.06089	1.5
118.06566	2.9
121.10140	1.4
122.06025	11.4
123.06805	2.7
124.07594	6.8
130.06522	100.0
131.06866	3.4
132.08104	4.3
134.06010	51.5
135.09210	2.6
136.07571	14.4
138.05510	1.2
140.07097	3.2
142.06491	1.3
144.08078	1.9
146.06009	5.7
149.07111	5.1
150.05495	87.7
151.05891	1.6
152.07060	80.0
153.07423	3.0
154.08655	4.4
157.07628	4.0
158.08394	5.2
159.09158	15.4
161.07069	9.5
162.07887	4.3
163.03847	1.5
163.08658	49.7
164.07074	2.2
164.09035	2.0
166.07439	1.3
168.06580	2.5
169.07616	3.2
175.09819	1.5
179.08220	1.8
180.08025	2.0
181.09692	10.0
188.07123	3.1
189.06778	1.3
205.04922	2.6
205.09807	3.0
206.08426	3.7
207.07664	14.4
219.07622	1.3
221.10715	1.8
225.08679	42.7
232.09970	3.1
235.06027	1.9
237.08812	3.9
247.12308	1.9
248.09407	2.9
249.10190	24.8
250.10727	2.3
260.09454	1.6
263.11792	11.8
265.10019	1.2
265.13516	1.5
267.11243	12.5
273.10303	1.5
275.08813	1.6
275.11789	29.7
276.12106	3.0
279.11255	8.9
280.11880	6.4
281.12817	49.3
282.13040	3.3
292.14426	18.0
293.12726	21.0
294.13336	1.8
310.15472	34.1
311.15842	3.6
354.14410	31.7
355.14709	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	354.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	2.7
55.74933	2.4
56.08728	2.4
56.96560	3.0
61.02932	11.5
61.07246	2.0
61.31805	2.4
62.06091	2.2
69.03431	5.4
69.07069	3.4
70.06596	5.5
71.30193	2.4
79.05495	26.6
81.03416	2.6
85.02905	8.4
85.06530	3.1
91.05804	3.1
93.07051	24.0
95.04984	3.5
95.70839	2.4
97.02906	4.6
97.06520	11.0
98.97562	5.1
101.24908	2.2
103.03937	2.5
111.08096	5.3
121.06512	5.9
130.55066	2.8
139.03848	3.3
139.07541	69.7
139.08582	5.0
140.07872	2.5
146.06013	16.9
157.04935	2.7
157.08609	44.9
163.03908	8.3
174.05466	4.3
175.09593	18.9
188.07089	8.4
192.03960	12.2
192.06555	8.9
193.04909	5.5
199.04050	2.7
205.04982	7.4
206.05650	3.5
207.11322	6.8
235.05954	8.1
237.02647	2.9
241.02080	2.9
270.18127	2.7
324.08041	3.8
342.26056	2.9
354.11774	10.5
355.10034	100.0
355.14160	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.1
56.19453	1.1
56.96568	4.7
57.03429	1.4
58.99846	1.5
61.02934	1.4
61.90376	0.9
65.45413	0.8
66.48308	0.9
68.98277	1.0
69.03432	6.3
70.06574	2.1
70.99848	1.6
71.30852	1.7
73.02917	1.2
73.04761	1.6
77.00906	2.3
81.03416	3.4
82.99805	5.9
85.02914	6.3
86.99335	1.7
89.00928	1.5
91.05808	1.3
93.58411	0.9
94.99817	1.0
97.02888	12.2
98.97571	8.5
101.00880	62.7
102.00973	2.4
105.00375	2.0
107.04920	1.4
109.02872	4.8
111.73864	0.8
113.00873	11.8
115.02405	1.8
116.98620	3.5
119.01920	100.0
120.01995	5.7
127.02415	4.4
127.03915	2.2
131.01906	28.8
132.02002	1.3
133.03481	2.6
137.00806	2.3
137.02956	14.0
139.02402	1.9
143.01898	36.5
144.01984	1.7
145.03476	21.5
146.03543	1.0
147.01395	1.6
147.04433	3.9
149.02945	3.7
153.01828	1.8
155.01897	25.1
157.03473	15.1
159.01401	3.5
159.06639	1.1
161.02962	95.1
162.03076	6.7
163.04506	3.9
164.07071	4.6
166.02858	1.2
167.01944	7.2
169.03445	4.8
171.04507	2.0
173.02968	29.7
174.03070	1.4
174.97649	5.4
175.04572	5.9
175.11856	1.6
177.00958	3.9
179.01900	7.4
179.03912	1.6
181.03543	1.2
184.04536	2.5
185.02956	33.1
186.03059	2.0
187.04524	8.5
189.05615	1.2
191.04025	5.0
192.98752	3.6
197.02966	40.6
198.03136	3.3
199.04533	1.1
200.04028	1.0
201.00899	1.0
203.02388	2.1
203.04034	20.0
204.04266	1.6
205.03458	3.5
205.05348	1.7
207.05136	1.0
209.02844	1.9
210.03680	1.1
211.00940	3.4
211.04610	1.1
212.04073	4.8
215.04016	7.7
216.98640	4.5
217.03523	2.6
219.01970	10.3
220.02118	1.4
221.03014	1.2
221.04964	7.1
223.04518	5.8
224.00859	1.6
225.05943	1.6
227.04037	6.2
229.03650	1.8
230.05157	1.7
234.99666	6.2
235.04530	22.4
235.99715	1.1
236.04591	1.8
242.01888	2.7
245.05083	46.2
246.05206	4.2
247.04593	5.7
248.02061	0.9
253.01682	1.3
253.05632	18.0
254.05299	2.2
258.99799	1.8
259.04102	1.5
261.02948	1.1
263.03436	1.3
263.06155	11.0
264.06442	1.6
265.05518	2.5
266.05383	1.2
271.04526	1.1
275.03305	1.1
277.01071	1.5
277.04742	1.1
278.03061	1.7
283.06717	2.7
285.00653	1.2
286.01251	1.2
289.05707	1.2
289.95444	1.2
295.05600	2.6
296.04111	2.1
301.01202	1.3
301.07956	1.5
307.03259	0.9
313.08237	13.4
313.95337	3.2
314.04639	5.9
314.08560	1.3
326.07379	1.5
331.07199	5.9
331.96411	3.0
332.06662	1.5
332.10416	3.9
337.10233	1.6
345.35663	0.9
355.08728	87.8
356.09116	19.4
373.09433	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	355.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
59.99921	0.4
63.95833	0.4
69.03105	4.8
71.23166	0.4
91.05818	0.4
98.97596	0.5
163.03911	0.9
177.01614	1.3
182.08136	0.6
185.04233	3.2
192.03926	14.7
193.04729	10.0
211.05907	0.4
217.08800	0.5
235.06044	0.8
324.08148	3.3
325.08752	1.4
355.09973	100.0
356.10269	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	355.1023
Annotation	Isobiflorin
Peak:m/z	Relative Intensity
68.99805	1.7
69.03417	3.2
70.80737	3.8
79.01850	2.7
79.05487	1.5
81.03418	8.9
83.04980	1.8
85.02873	4.4
89.03887	4.2
91.05465	3.4
93.07032	1.5
97.02904	8.4
98.97583	1.5
103.05460	2.2
105.06971	3.0
107.01160	1.3
107.04916	3.7
109.06487	1.4
111.04403	3.1
115.03902	1.4
115.05447	3.1
117.03362	5.9
129.06973	1.7
131.04860	2.9
133.06450	3.8
135.04433	13.1
137.05968	1.6
141.29472	1.5
145.02837	6.9
145.06419	3.9
146.05978	6.6
147.04419	2.0
147.06285	6.4
149.05933	3.9
151.07567	2.1
159.07990	1.6
161.05963	4.5
163.03909	70.4
163.07495	3.0
164.04233	3.6
165.05435	5.8
165.06837	1.5
167.07007	6.2
173.06017	1.8
174.05438	3.6
175.05818	5.6
175.07343	2.1
177.05443	6.6
178.06187	6.5
180.07727	1.6
181.04933	5.1
181.07053	2.0
181.08566	15.6
187.03903	2.3
189.05582	2.6
189.07387	4.7
189.08966	2.3
191.07019	3.9
192.03969	1.5
192.06445	2.5
193.04921	6.5
193.06837	5.0
193.08620	3.9
201.05467	2.2
203.07033	2.7
205.04970	92.1
205.08122	2.2
206.05716	46.5
207.06302	4.9
217.05000	14.5
217.08588	2.6
218.05487	1.8
219.06525	20.9
221.04433	1.6
221.08038	5.4
223.09473	2.8
230.05632	5.6
231.06473	10.7
233.04379	6.3
233.08041	2.0
235.06009	100.0
236.06348	5.5
236.58742	1.4
237.02802	1.9
239.09195	7.0
240.80789	1.4
241.10597	3.9
243.02859	3.4
243.06592	2.5
245.04398	3.3
245.08116	21.7
247.06134	6.9
249.07579	2.3
259.06030	31.4
260.06131	1.5
261.03745	3.3
265.06912	2.9
273.07617	12.1
277.06882	3.2
289.04092	1.6
289.07117	26.5
298.58835	1.5
301.07077	13.8
301.10339	2.2
319.04681	2.3
319.08160	31.6
319.11606	2.9
337.09180	35.1
337.12848	2.7
338.09332	2.1
351.86826	1.4
355.10062	59.0
355.13632	5.3
356.10068	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	355.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82107	0.6
55.01865	1.0
55.92460	0.7
57.03403	0.9
64.01003	0.5
67.01843	1.5
68.99821	0.6
69.03411	0.7
70.27235	0.6
70.27581	1.9
71.74570	0.6
73.04730	1.0
84.04516	0.7
85.02890	2.5
85.06528	0.6
91.05765	1.1
92.99752	0.7
97.02888	1.1
103.03930	2.1
105.03371	1.2
105.07057	1.0
107.98093	0.6
109.02869	1.7
115.05452	1.0
118.80550	0.7
122.03614	0.7
133.06487	0.8
137.05971	11.4
139.03911	0.7
147.04420	1.1
149.02261	1.0
149.05940	0.9
151.03865	1.6
151.07475	0.7
153.01817	2.3
161.05945	2.7
165.01836	1.3
167.03389	1.3
176.04440	0.6
177.05463	2.0
179.06970	0.7
185.05801	0.7
187.03903	0.7
189.05446	17.1
190.05737	0.9
192.04204	2.0
193.04959	5.5
195.02846	1.4
200.39665	0.6
201.05467	1.0
203.03384	1.0
203.07013	8.4
205.04939	100.0
206.05612	10.7
211.07585	1.1
211.09648	4.6
213.05429	0.9
215.07010	0.9
216.04353	1.0
217.04927	14.1
217.08507	1.6
218.05130	0.6
219.02893	2.1
219.06493	2.0
227.07089	3.2
229.04868	4.1
230.05733	2.1
231.02831	2.1
231.06493	19.5
233.04372	1.4
233.05347	0.7
233.07800	11.0
235.05981	73.0
236.06421	3.3
243.06468	2.2
245.08052	10.1
246.08382	0.8
255.06496	3.9
259.05994	29.9
260.06314	2.0
271.06027	8.7
273.07556	1.4
283.05978	9.7
289.07031	16.3
290.07263	1.4
301.07034	14.1
309.06055	0.8
319.08084	11.6
320.08365	1.0
337.09128	5.0
355.06857	0.8
355.10037	2.7
355.13828	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1021
Annotation	Isobiflorin
Peak:m/z	Relative Intensity
54.82092	0.7
71.35066	1.5
79.01858	2.9
81.03427	1.0
85.02917	1.5
88.80394	0.7
109.02857	1.7
123.29529	0.8
147.04427	0.9
149.05995	1.9
163.03941	2.6
165.05487	4.4
177.05467	3.8
178.06264	5.8
181.04965	5.2
189.05527	2.2
190.06311	1.3
193.05022	1.3
205.04964	84.0
206.05728	36.9
207.06366	2.8
217.04951	16.2
218.05376	1.0
219.03033	0.9
219.06519	18.5
229.04991	1.0
230.05774	4.5
231.06519	6.3
232.06761	0.8
233.04408	5.2
233.08049	1.4
235.06009	100.0
236.06303	4.2
243.02888	2.9
245.04489	2.0
245.08092	22.9
246.08461	1.3
247.06058	5.7
249.07561	1.8
259.06042	27.8
260.06363	1.6
261.03857	2.3
265.07166	4.5
271.05905	1.2
273.07596	8.8
277.07056	1.8
282.74496	0.8
283.06030	0.9
289.07062	24.5
290.07364	1.8
301.07065	12.7
302.07568	1.2
319.08136	31.4
320.08719	1.7
337.09161	31.6
338.09583	3.0
355.10223	61.4
356.10458	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	355.1019
Annotation	Biflorin
Peak:m/z	Relative Intensity
53.03948	0.8
54.82100	0.5
55.01868	1.1
57.03413	1.0
61.02898	0.8
64.40571	0.5
67.01840	1.1
68.99776	0.6
69.83757	0.6
69.84039	2.7
73.02882	1.0
79.05464	0.7
81.03393	0.6
85.02882	4.3
85.48444	0.5
92.99756	0.7
93.03351	0.6
96.86285	0.5
97.02850	0.7
101.39800	0.5
103.03913	1.5
105.03387	5.1
109.02863	0.7
113.02367	0.6
117.52819	0.5
121.02802	0.6
137.05922	0.7
141.01782	0.9
149.02254	0.6
151.03880	1.6
161.05978	2.7
165.01851	1.1
167.03371	1.6
177.05499	2.2
179.07040	1.1
183.02933	0.6
184.93706	0.5
189.05441	17.6
190.05846	0.9
192.04237	1.6
193.04948	5.7
195.02872	0.9
201.05464	0.8
203.07027	8.2
205.04942	100.0
206.05573	9.5
207.06288	0.9
213.05438	0.7
216.04288	0.7
217.04942	14.8
217.08612	1.7
218.05315	0.7
219.02985	1.1
219.06474	1.8
227.06985	2.8
229.05014	4.0
230.05629	1.5
231.02876	2.2
231.06502	22.1
232.06853	1.2
233.04393	1.1
235.05983	67.7
236.06303	3.2
243.06500	3.4
245.04379	0.9
245.08084	9.6
251.81145	0.5
255.06458	3.6
257.04471	1.1
257.08179	0.6
259.05991	32.5
260.06335	1.3
271.05972	13.4
272.06168	0.7
273.07526	2.3
283.05981	10.9
284.06509	0.8
289.07034	17.3
301.07040	13.9
302.07422	0.7
319.08087	11.4
320.08340	1.1
337.09152	3.6
355.10162	2.8
355.13846	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
66.94183	0.5
69.42426	3.8
72.07727	0.5
72.32276	0.5
79.01826	3.5
79.37309	0.6
81.03380	0.6
85.02876	1.1
86.55375	0.7
109.02834	1.0
127.51594	0.5
137.06000	0.6
147.04399	1.3
149.05940	2.7
161.05956	0.7
163.03876	2.0
165.05504	5.3
177.01752	0.7
177.05484	4.2
178.06253	6.1
181.04990	4.6
187.03848	1.8
189.05496	1.3
190.77995	0.6
192.04225	1.0
193.04935	2.7
199.03911	1.0
202.06180	0.6
203.07060	1.0
205.04959	83.0
206.05730	36.1
206.07408	0.5
207.06259	2.6
213.05595	0.8
215.03265	0.6
217.04967	16.7
218.05481	0.7
219.03165	1.1
219.06505	16.5
220.03716	1.2
220.06969	0.8
229.05011	1.1
230.05760	5.0
231.06500	7.5
233.04453	5.5
235.06007	100.0
236.06291	4.5
243.02951	3.6
243.06564	0.9
245.04398	2.2
245.08093	20.1
246.08412	2.0
247.06021	6.0
249.07564	1.6
259.06039	28.4
260.06375	1.8
261.03986	3.0
261.07452	0.6
263.05432	0.7
265.07083	3.3
271.05896	1.4
273.07596	6.6
277.07025	1.8
283.05698	0.6
289.07059	24.8
290.07285	1.8
291.08618	1.0
301.07043	13.4
302.07437	1.3
319.08112	28.9
320.08426	1.4
337.09183	30.3
338.09470	2.4
355.10229	49.8
356.10501	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	355.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.9
55.01870	3.2
55.05513	3.5
57.03429	9.1
57.07068	5.4
67.05495	8.6
69.03429	90.6
69.07034	1.8
69.21632	16.1
70.03749	2.3
71.04974	1.9
73.02929	3.5
76.77310	2.1
79.05482	6.3
81.03407	7.3
81.07043	5.0
83.04955	2.3
85.02890	6.6
85.06531	9.8
85.17278	1.8
86.08584	2.0
91.05476	11.6
93.07036	4.5
95.04966	4.5
95.08599	3.8
97.02892	5.8
98.22565	2.8
103.03918	3.6
105.03393	23.7
105.07018	7.3
107.04310	2.1
107.04940	11.9
107.08591	3.4
109.02877	7.2
109.06503	3.7
111.04510	2.5
115.05456	5.7
116.06254	5.9
117.06999	5.5
119.04918	2.3
119.08601	4.4
121.02864	3.4
123.04400	10.6
124.05285	2.7
127.03914	100.0
128.04260	4.2
128.06209	3.6
129.07008	12.1
131.04974	4.4
131.08554	18.4
132.05756	2.1
133.06503	4.7
133.10123	2.9
137.06001	10.4
139.03871	2.9
141.05434	3.3
141.06966	7.4
143.04976	2.2
143.08595	2.8
144.05727	14.1
145.06471	8.3
147.04404	7.8
147.08044	3.7
149.05981	3.3
149.09593	3.1
151.03883	7.9
151.07561	5.6
152.04706	3.1
153.05469	25.0
153.96144	2.0
154.06206	4.3
155.07022	3.6
156.05644	3.7
157.06483	8.1
158.07248	4.7
159.04413	2.3
159.08058	30.5
160.05139	2.9
161.05952	8.8
161.09642	3.1
163.03835	3.0
163.07516	5.6
165.05464	6.8
167.03407	5.6
167.06993	12.5
168.04208	10.9
169.04958	3.1
172.05197	4.0
173.06004	7.2
174.06761	2.5
175.04010	2.5
175.07591	11.0
177.05428	9.7
177.09044	2.6
178.06154	2.8
179.06996	6.5
181.04929	2.9
185.05997	4.6
187.07535	28.3
188.04749	3.4
188.08000	3.5
189.05476	12.0
189.09106	7.5
190.06155	2.7
191.07007	6.8
193.04909	54.7
193.08603	6.9
196.07433	2.3
201.05449	7.0
201.09166	3.4
203.03413	2.3
203.06966	7.4
204.07750	2.3
205.04985	29.8
205.08594	13.7
206.05600	5.9
207.10260	2.8
208.10686	2.1
210.14888	2.1
211.09633	4.3
215.07150	3.0
217.04955	6.0
217.08563	7.9
218.09329	4.4
219.06563	3.3
219.10182	9.0
220.07120	2.0
221.08052	7.0
223.09595	16.2
229.08601	3.4
230.05869	2.6
231.06477	9.8
231.10216	4.9
235.05969	25.8
235.09557	15.5
236.10034	2.4
245.08144	7.5
247.09790	2.5
249.11154	3.6
251.09138	3.4
259.06003	8.8
259.09576	5.8
263.09137	36.5
264.09589	2.5
266.07828	25.1
271.05978	3.1
271.09671	8.8
277.10754	30.3
279.08664	4.2
281.10223	22.6
283.09576	3.3
289.07227	4.9
289.10699	21.0
295.13409	2.4
301.07407	4.1
301.10675	11.6
307.11783	4.5
319.08243	3.2
319.11789	7.1
323.12476	2.2
325.76828	1.9
337.08981	6.0
337.12897	6.1
355.10181	7.4
355.17633	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	355.154
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94989	1.2
55.05511	4.6
55.05772	1.3
57.07073	1.5
65.03938	2.1
67.05500	8.0
69.07059	5.6
69.13470	11.9
69.88539	1.2
71.05008	1.4
75.04436	1.2
79.05497	6.9
81.07059	10.3
83.04993	1.5
83.08630	2.4
85.06567	1.8
91.05433	7.0
93.07051	6.8
95.04966	2.8
95.08602	10.7
97.06530	1.7
97.10166	2.4
105.07011	5.8
106.39512	1.3
107.04925	2.7
107.08588	5.6
109.06515	1.4
109.10155	5.6
115.05453	1.8
117.07027	3.3
119.08569	6.4
121.06495	1.5
121.10159	6.4
122.03658	1.8
123.04453	2.6
123.08076	1.9
123.11715	1.5
129.06982	1.8
131.08604	3.6
133.06488	2.9
133.10124	6.7
135.04393	5.2
135.11684	4.0
135.36713	1.3
137.05978	19.2
137.97008	1.2
143.08554	4.6
145.10135	4.8
147.11697	2.7
149.02336	2.6
149.05998	2.2
151.03967	1.5
151.07506	6.0
153.05545	1.4
155.08543	1.3
157.10197	2.6
159.04471	3.4
159.07973	1.5
159.11710	1.5
161.05969	2.3
161.13251	1.6
161.69548	1.3
163.07533	1.3
165.05489	3.8
165.06900	2.4
165.09109	3.4
167.07043	3.4
169.10216	1.6
170.07251	1.3
171.08017	3.1
172.08755	3.1
173.13208	1.6
177.05420	2.3
178.07838	2.0
181.06490	1.7
181.10156	2.1
183.08192	1.7
189.06866	1.7
190.07800	3.5
191.08554	4.2
191.17934	1.6
192.09309	10.4
193.06621	1.5
193.10060	3.4
194.07222	1.5
195.08040	2.9
201.09027	1.7
202.07724	5.9
203.08618	5.8
203.10463	1.7
204.09349	2.2
205.04898	4.2
205.06577	4.7
205.10156	1.9
206.07317	2.3
207.11736	5.5
209.09612	7.7
210.06856	1.4
211.07516	2.5
213.11159	2.8
213.16394	1.7
217.10089	9.8
218.07285	2.3
219.08090	9.4
220.08817	27.7
221.06108	2.1
221.09573	7.3
223.05795	1.5
223.07718	1.7
223.11188	2.2
224.08318	1.5
225.09021	1.5
227.07002	2.2
227.12810	2.3
231.08047	5.3
231.10060	2.9
232.08778	3.1
233.06013	2.9
233.09592	7.6
234.10254	2.5
235.07687	2.0
235.11125	22.4
236.11456	1.4
237.09082	17.7
238.09753	2.6
239.07097	2.3
239.10683	3.9
241.08481	1.6
245.00867	1.4
245.09570	12.8
246.10376	1.9
247.07599	10.3
248.08292	41.0
249.08986	10.5
250.06277	2.3
250.09595	2.3
251.10638	3.0
252.11429	14.3
253.08360	1.9
253.12190	2.1
255.06709	1.5
255.09923	1.9
261.09116	7.1
262.06293	1.3
262.09799	9.2
263.10663	66.5
264.08014	2.2
264.11093	5.6
265.08609	26.4
265.12036	3.5
266.09219	3.4
267.13892	2.5
268.07272	2.0
269.08118	3.9
270.08875	3.0
276.07764	9.2
277.08609	6.6
277.12247	10.0
278.09213	2.2
279.06625	3.4
279.10226	4.1
280.07614	1.8
280.10895	28.6
281.08096	3.9
281.11588	6.7
282.08755	2.8
283.09674	4.6
285.10925	1.6
290.09460	3.8
291.10132	49.4
292.10751	4.4
293.08060	13.8
293.11240	2.1
294.08878	11.7
295.09653	4.2
295.13248	49.9
296.13708	4.4
297.07504	7.3
297.11194	4.2
298.08292	5.2
298.11469	1.6
299.09109	2.7
305.11566	6.5
307.06009	2.4
307.09708	3.4
308.10349	18.0
309.11005	5.6
309.25769	1.9
311.09149	12.0
312.09909	4.4
313.10733	7.3
314.10986	2.1
322.08392	14.3
323.12753	100.0
324.13245	9.7
325.10699	6.1
327.15738	6.5
337.10657	23.5
340.12970	6.1
355.11658	80.0
355.15436	63.6
355.22501	2.0
355.25995	6.2
356.11963	6.3
356.15759	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	355.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.6
55.05508	0.8
55.30460	0.7
67.05493	0.9
69.03431	0.8
71.34193	1.5
71.90981	0.9
79.05485	2.5
81.03412	1.1
81.07040	2.6
88.49734	0.7
89.03903	0.7
90.87539	0.7
91.05470	14.5
93.07056	1.8
95.04961	2.2
95.08614	1.0
102.57143	0.8
103.05457	5.2
105.03462	0.8
105.07032	11.0
107.04951	8.4
109.02882	0.9
109.06495	2.4
111.04431	1.0
115.05431	5.6
116.06210	1.0
117.07004	6.0
118.04148	3.3
119.04936	4.2
119.08563	2.3
121.06528	4.1
123.08037	1.5
125.52151	0.9
127.05460	1.1
128.06213	5.0
129.07004	14.2
131.04930	9.1
131.08569	2.3
132.05704	1.5
133.06470	3.3
135.08051	5.4
137.05968	19.9
141.07010	1.1
143.04958	1.1
144.05568	1.1
145.06496	5.3
146.03619	3.0
146.07274	1.7
147.04366	3.1
147.08012	8.9
147.11565	0.8
148.05156	3.0
149.06001	6.1
151.03928	1.3
151.07538	12.3
157.06477	7.4
158.07149	1.5
159.04443	1.9
159.08047	2.9
160.05203	6.6
161.05971	100.0
161.09552	6.0
162.06323	3.6
163.07536	13.4
165.05492	1.7
165.06964	2.1
165.09119	4.3
167.07007	1.2
169.06473	0.9
173.02113	0.9
173.05998	1.9
174.06703	6.5
175.07535	72.8
176.07883	3.8
177.09148	2.0
178.07784	2.6
179.08559	2.1
181.06482	1.0
181.08537	1.3
185.05983	2.5
187.07555	1.4
189.09090	35.0
190.07788	1.0
190.09457	2.3
191.06958	1.0
191.08521	2.3
192.00394	0.9
192.09254	1.0
193.06534	1.3
193.08556	2.3
193.10202	1.9
195.08032	1.9
199.07462	2.3
201.05431	2.8
201.09044	1.0
201.36812	0.9
202.07803	1.3
203.08554	0.9
205.06456	2.9
206.07243	2.9
206.10860	1.5
207.08171	1.6
207.10170	6.3
208.08853	2.4
209.09714	1.0
210.14812	0.9
213.09108	3.4
215.08696	0.9
216.09596	1.0
217.10121	1.9
218.07283	2.4
219.07986	5.7
220.08755	2.6
221.05966	3.7
221.09526	2.1
222.06593	1.3
223.07504	1.3
223.11182	3.6
225.08984	0.9
233.05997	1.0
233.09558	2.0
234.06786	7.3
234.10342	1.8
235.07484	4.6
236.08311	5.4
237.09056	2.5
238.09770	0.9
245.05952	2.6
245.09650	2.5
246.06615	1.9
246.10509	1.9
247.07524	4.1
248.08356	2.4
249.05392	1.0
249.09047	11.7
249.12727	1.3
250.06418	1.4
250.09647	2.0
251.07114	2.1
251.10664	10.7
253.08554	2.0
253.37990	0.8
261.09143	2.5
262.06244	4.8
262.09778	2.3
263.06937	3.5
264.07733	3.3
265.08621	2.4
267.09991	1.1
273.09113	1.3
276.07919	1.1
277.08591	10.3
277.12192	7.3
278.09225	2.8
278.12485	1.0
279.06686	2.0
279.10098	13.6
280.10715	1.9
281.08075	2.0
283.13275	2.2
290.09467	1.7
291.06683	0.9
291.10095	1.9
293.08273	4.1
293.11221	0.9
294.08896	2.4
295.09668	1.0
295.13120	1.2
296.10391	3.4
299.12787	1.6
305.08432	1.3
305.11557	5.2
308.10294	2.8
309.11176	11.9
310.11600	1.6
311.12762	45.4
312.13089	5.0
322.11917	1.2
323.09183	1.9
323.12741	2.8
337.10678	1.7
337.14209	8.4
340.83881	1.0
355.11432	2.8
355.16019	7.1
355.16772	7.4
356.16534	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1726
Annotation	His Ala Gln
Peak:m/z	Relative Intensity
56.67453	0.2
69.53577	1.1
69.53980	0.4
79.05483	0.4
85.02850	0.3
91.05484	0.4
93.07025	0.4
107.04945	0.6
109.06506	0.3
109.23241	0.2
119.08590	0.2
137.05965	3.5
140.25183	0.3
145.06483	0.3
145.97670	0.2
151.07587	0.6
158.07251	0.2
163.07484	0.4
167.07050	1.4
175.07585	0.3
181.23830	0.2
190.40866	0.2
193.12057	0.6
203.05267	2.9
231.10144	0.6
245.09618	0.4
247.07533	0.3
248.08313	0.4
249.08832	0.3
262.09845	0.3
277.12238	0.3
289.54596	0.3
291.10144	0.5
305.11752	1.0
307.09665	0.3
308.10001	0.3
313.10794	0.3
323.12747	0.7
337.14536	0.6
355.17264	100.0
356.17609	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	355.1728
Annotation	His Ala Gln
Peak:m/z	Relative Intensity
54.43832	0.4
55.05505	0.9
58.61060	0.4
58.61382	0.4
69.03395	0.5
70.25951	1.3
79.05499	0.8
81.03455	0.5
81.07056	1.0
83.04980	1.0
83.08617	0.5
85.02882	0.5
85.06567	0.4
91.05474	0.9
93.07037	0.6
95.04975	0.5
95.08613	0.5
95.49553	0.4
97.40116	0.4
98.23252	0.4
98.53046	0.4
99.04459	0.4
100.07619	0.4
100.11256	0.9
105.06983	0.8
111.04446	0.7
121.10167	0.4
126.03267	0.4
127.03848	0.4
133.06429	0.5
137.05997	0.7
147.11743	0.5
151.07643	0.5
163.11108	0.4
163.81061	0.4
164.23523	0.4
166.39011	0.5
177.05519	0.8
182.15466	2.1
182.19121	0.4
189.05461	0.7
192.76100	0.4
193.04962	0.8
193.12167	0.6
205.04982	3.4
206.05673	0.7
209.45781	0.4
210.14865	2.7
217.04950	0.7
220.49899	0.3
231.06615	0.7
235.06006	3.2
245.08098	0.9
259.06122	1.3
289.07034	1.1
301.06912	0.6
319.08176	0.8
337.09521	0.5
337.21246	0.5
352.08243	0.4
355.17264	100.0
356.17639	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	355.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.6
53.03936	0.6
53.13595	0.5
55.01873	0.7
55.05515	2.8
57.03439	0.6
57.07087	0.6
67.05505	2.0
69.03442	2.2
69.07066	1.8
70.42118	0.5
70.42474	1.7
71.04990	0.9
79.05499	2.8
81.03407	2.8
81.07056	4.6
82.03733	0.9
83.04976	0.9
83.08627	0.5
85.02912	1.4
85.06551	1.9
91.05473	4.6
93.07054	5.4
93.65993	0.5
94.04168	0.5
94.07325	0.6
94.64182	0.6
95.04970	1.8
95.08598	3.3
97.02914	0.7
97.06525	1.2
97.10187	2.3
99.04471	0.7
100.20610	0.5
103.05485	2.1
105.07030	3.4
107.04959	1.9
107.08586	2.9
109.02905	1.4
109.06523	1.6
109.10177	2.7
111.04491	0.7
111.08082	1.6
115.05484	0.8
117.07039	1.1
119.04955	1.6
119.08562	2.6
121.06512	1.8
121.10120	2.6
122.03688	1.5
123.04462	0.8
123.08096	0.6
123.11715	1.3
128.06271	0.6
129.07016	1.5
131.04909	1.4
131.08551	1.3
133.02882	0.8
133.06523	1.9
133.10149	1.9
135.08083	1.6
135.11708	1.3
137.05980	10.0
137.09587	1.1
139.11171	0.7
141.06984	1.0
143.04999	0.7
143.08568	0.6
145.03004	0.5
145.06447	0.7
145.10133	1.1
147.04422	1.0
147.08005	1.0
147.11705	1.9
149.06012	1.9
151.03903	1.7
151.07513	4.1
153.05626	0.5
159.08052	0.6
159.11696	0.9
161.06038	1.5
161.09564	0.5
163.03938	2.2
163.07558	1.3
163.11180	1.2
164.08388	1.8
165.05486	1.0
165.06950	0.9
165.09148	0.9
165.12794	0.7
167.07063	1.9
167.08472	0.7
169.06525	0.6
170.07268	2.6
171.11696	0.7
175.07599	1.7
176.08304	1.0
177.05501	1.4
179.06966	0.6
181.08575	0.5
187.07553	0.7
188.04689	1.0
189.09227	0.8
191.03386	1.0
191.07127	0.7
191.10770	0.9
193.05014	1.8
193.12334	0.8
193.15990	0.7
201.05490	1.2
201.16382	0.7
203.05338	1.0
203.07088	3.7
205.05017	1.6
215.14433	0.6
231.10138	5.1
232.10606	0.8
233.05925	0.5
235.05872	0.6
237.09232	0.6
247.07564	0.6
248.08456	0.9
251.06854	0.8
252.07898	0.7
253.08624	0.6
263.07135	0.8
263.10623	1.3
269.08640	0.6
277.08737	1.1
279.10056	0.7
280.10706	0.7
291.10251	1.4
293.08167	0.7
294.08978	0.7
295.13193	0.9
309.21985	1.1
311.13043	0.7
313.10596	1.1
319.22736	1.0
323.09271	0.9
323.12823	1.2
327.12341	0.7
336.25250	0.6
337.10693	1.1
355.17297	100.0
356.17715	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	355.284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.9
55.05512	26.1
55.27929	1.4
57.01504	1.2
57.03433	4.9
57.07076	11.5
57.17374	1.2
58.06579	1.2
65.03963	1.2
67.05148	2.5
67.05501	38.2
69.07066	32.9
70.06590	13.7
70.07395	1.5
71.08635	6.0
71.33846	1.1
72.57647	1.1
79.05493	15.9
80.07371	1.1
81.07054	50.3
82.07394	1.4
83.04984	1.4
83.08617	20.6
85.10179	9.5
88.07628	16.9
91.05457	9.1
93.07040	16.2
95.08602	44.0
96.08955	1.3
97.06532	5.3
97.10165	15.4
99.08070	1.9
102.09162	3.7
105.07017	10.8
106.08653	8.3
107.08596	12.8
109.10154	24.8
111.08082	2.0
111.11738	4.7
112.64817	1.2
113.09657	5.4
119.08585	12.1
121.10137	15.3
123.11700	10.8
125.09641	2.2
125.13302	1.2
131.08533	2.4
133.10107	12.0
135.08083	1.8
135.11679	9.1
137.05974	3.4
137.09648	3.4
137.13254	5.1
139.11156	1.5
141.12717	1.6
143.08572	1.9
145.10121	2.0
147.11678	8.1
149.13264	7.8
151.11211	1.9
151.14833	1.9
154.92981	1.1
159.11708	1.8
161.13234	6.2
163.14851	6.9
165.16411	3.5
175.14810	6.6
179.17938	1.4
181.15942	1.9
189.16406	1.7
199.14821	1.4
201.05487	3.0
220.08417	1.2
234.52545	1.3
245.22647	20.3
261.63278	1.5
263.23663	17.1
277.08618	1.4
299.25845	2.9
323.09140	2.4
337.10706	1.8
337.27383	7.6
338.34192	4.9
355.11804	2.0
355.26236	2.1
355.28748	3.8
355.34006	1.9
356.35202	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.7
53.45258	1.0
55.01861	2.3
55.05510	28.2
57.03426	4.5
57.07069	9.7
65.56500	1.2
67.05503	40.1
69.07064	33.4
69.07351	0.7
69.07442	1.1
70.06596	15.9
71.04989	2.1
71.08627	4.2
73.02895	1.0
79.05490	15.8
81.07053	52.4
83.08614	17.9
85.02869	1.4
85.06526	1.8
85.10180	2.2
88.07632	14.8
91.05476	12.0
93.07045	16.9
94.07359	1.2
95.04974	1.5
95.08606	43.8
95.46381	1.1
97.06537	5.0
97.10169	11.2
98.22536	2.6
99.08076	1.7
102.09173	4.9
105.07027	8.6
106.08657	8.3
107.08587	13.3
109.06523	1.3
109.10153	22.0
111.08092	2.6
111.11729	3.9
119.08588	11.7
121.10146	16.6
123.08075	1.3
123.11718	11.2
125.09679	2.3
127.11186	1.2
131.08536	1.4
133.10124	9.0
135.11694	8.8
137.05946	3.3
137.09587	1.5
137.13243	4.2
139.11230	1.1
141.12695	1.3
143.08620	1.5
147.11676	5.7
149.13266	7.6
151.14848	2.8
159.11690	1.7
161.13252	6.8
163.14841	4.8
165.12737	2.4
165.16360	2.9
175.14828	4.8
177.16350	1.2
179.14346	1.1
179.17892	2.1
189.16389	4.4
217.19484	1.4
245.22630	18.4
246.22914	1.5
263.23679	17.9
337.27408	9.6
338.34030	5.4
355.18817	4.6
355.28876	2.1
355.33691	2.2
356.35211	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2843
Annotation	MG(18:2(9Z,12Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
53.03945	3.5
55.01882	3.9
55.05511	44.6
56.55806	1.8
57.03446	13.4
57.07080	13.9
58.82422	1.9
62.89543	1.9
65.03931	2.8
67.05505	77.3
68.05804	2.5
69.06720	2.8
69.07069	49.9
69.97985	8.5
71.04991	3.5
71.08616	4.9
71.86324	2.1
79.05497	36.6
81.07057	100.0
82.07378	3.3
83.04979	3.7
83.08624	31.2
85.06544	6.0
85.10160	2.6
91.05481	27.1
93.07042	36.7
95.04974	5.1
95.08607	88.5
96.08930	2.4
97.06516	8.9
97.10187	27.2
99.08081	4.5
103.05449	3.0
105.07043	26.8
107.08598	24.8
108.13752	1.8
109.10150	44.7
111.08088	6.2
111.11708	7.2
117.07016	2.4
119.08588	28.7
121.10140	34.7
122.10489	3.9
123.08069	4.1
123.11711	18.9
125.09649	4.1
129.05508	3.0
129.07019	2.5
131.08542	6.1
133.10123	23.0
135.11685	21.6
137.06049	3.6
137.09654	2.5
137.13226	9.9
139.11145	2.8
143.08569	3.2
145.10132	6.1
147.11664	16.6
149.13295	11.0
151.07527	8.9
151.14835	6.6
153.12769	3.0
157.10092	5.3
159.11661	6.6
161.05933	11.2
161.13269	14.6
163.14818	13.3
165.09074	7.6
165.12715	2.9
165.16432	4.7
168.96313	2.0
171.11673	4.1
172.77551	2.1
173.13284	2.0
175.07674	2.1
175.14836	14.1
177.16379	4.1
179.14349	2.8
179.17918	3.3
181.15778	2.3
185.13326	2.6
189.09013	2.1
189.16396	8.6
191.06789	2.1
193.08463	2.1
193.15904	2.3
201.16382	2.7
202.09911	2.8
203.18007	2.2
211.32924	2.0
213.16478	3.0
217.12167	5.6
245.22679	38.6
255.10222	2.6
263.10562	3.3
263.23721	37.9
264.24054	2.9
269.11746	2.2
271.09683	3.5
295.13229	2.3
299.09134	4.5
309.25558	5.4
323.12650	4.2
327.15945	5.9
337.27380	23.5
338.27524	3.2
355.15179	11.4
355.19232	3.8
355.25580	3.5
355.29105	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	355.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25545	4.9
55.05513	66.6
55.10404	5.1
57.07071	36.1
67.05505	59.4
69.07066	100.0
70.07420	6.8
70.18063	6.0
71.04964	6.2
71.08634	15.6
79.05490	21.0
81.07050	70.8
83.08618	75.1
85.10187	8.1
91.05466	6.7
93.07037	32.4
95.08619	68.2
97.06508	13.5
97.10145	49.6
105.07053	25.9
107.08598	24.5
109.06557	6.5
109.10166	39.5
111.08076	8.8
111.11708	19.7
119.08563	22.8
121.10136	30.7
123.11738	18.8
133.10100	29.2
135.11705	19.7
137.09569	8.6
137.13284	6.9
139.11174	8.6
147.11702	18.2
149.13268	6.2
151.11223	9.2
161.13272	14.8
165.12775	8.9
171.50992	6.2
175.14732	7.9
189.16289	6.2
193.15845	8.1
228.90004	6.5
247.60269	5.4
301.28903	19.4
302.32474	6.8
319.30090	16.8
355.11356	7.5
355.29437	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	355.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	63.3
57.07071	38.1
67.05505	65.9
67.30000	4.2
67.91185	4.5
69.03435	10.9
69.07072	100.0
70.68181	9.7
70.68523	4.9
71.08622	13.0
75.54746	4.0
75.96399	4.2
79.05491	32.9
81.07056	94.2
83.08622	72.1
85.10176	6.5
91.05486	19.6
93.07035	49.4
95.08600	92.0
97.06538	21.3
97.10170	68.7
105.07049	17.3
107.08586	41.8
109.10171	47.3
109.18492	4.3
111.08076	7.4
111.11740	24.3
119.08565	38.0
121.10138	51.4
123.11750	16.6
125.09621	5.0
125.13279	11.1
133.10117	15.9
135.11679	34.9
137.05974	12.5
137.13287	10.6
145.10129	5.4
147.11731	14.9
148.15685	4.5
149.13272	15.1
159.11690	4.9
161.13290	12.8
163.14842	8.5
165.12778	6.3
170.03645	4.6
175.14862	10.0
189.16402	11.5
203.17915	5.4
207.17442	5.0
215.06911	4.2
217.19449	5.4
301.28906	20.7
309.25479	6.4
319.29874	27.6
323.09171	7.0
337.10742	6.0
337.31046	17.3
355.11856	5.2
355.28235	82.4
356.28629	7.7
356.35104	9.9
363.42325	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	357.0966
Annotation	G(8-O-4)Esculetin
Peak:m/z	Relative Intensity
51.02386	0.2
53.03935	0.5
55.01864	0.4
55.05487	0.2
65.03928	0.5
66.04720	0.3
67.05488	0.6
68.99780	0.6
69.03407	0.4
69.07056	0.3
69.63849	0.8
71.04961	0.1
73.92331	0.1
77.03945	0.3
79.01852	0.2
79.05494	2.2
81.03422	0.2
81.07067	0.7
83.01372	0.2
91.05452	0.6
92.02569	0.2
92.99799	0.2
93.03468	0.1
93.07033	0.5
94.04176	0.8
95.04956	0.7
95.08591	0.4
98.23270	0.2
103.05448	0.4
105.03403	0.2
105.04476	0.2
105.07023	0.5
107.01305	0.4
107.04950	0.7
107.08596	0.3
108.02071	0.5
108.05753	0.3
109.02853	0.6
109.06522	1.0
109.10178	0.2
110.03640	0.6
111.04446	0.2
115.51721	0.2
117.07106	0.2
119.04932	0.4
119.08563	0.2
121.02869	0.9
121.06516	0.5
121.10147	0.3
122.03662	1.1
123.04431	0.1
123.08101	0.1
125.02357	0.5
126.03109	0.3
131.04997	0.2
131.08559	0.3
132.05698	1.8
133.06496	3.5
133.10193	0.2
134.07254	0.4
135.04408	5.0
135.08070	0.1
136.01558	1.7
137.02315	0.5
137.05981	1.4
138.03098	1.5
141.05444	0.4
143.08531	0.4
145.06479	0.7
145.10091	0.2
147.04341	0.2
147.07973	0.1
147.11693	0.2
148.05127	0.1
149.02307	0.6
149.05904	0.2
151.03905	10.0
151.05002	0.9
151.07512	1.1
152.04280	0.4
153.01823	1.8
153.05481	0.3
153.06943	0.1
154.02580	1.2
155.07018	1.2
159.04431	0.6
159.08015	0.4
160.08531	0.1
161.05968	0.5
161.09657	0.2
162.06406	0.1
163.07359	0.2
165.01837	1.1
165.05467	27.0
166.02649	1.2
166.05795	0.8
167.03365	0.3
167.07021	1.0
169.06551	0.2
171.08022	0.8
175.07430	0.1
177.05472	1.8
177.35616	0.2
179.06967	0.2
179.10728	0.1
181.04927	0.5
181.06438	0.2
181.08556	1.9
183.02895	0.3
184.03654	1.0
184.08888	0.2
185.05872	0.1
187.07521	0.2
188.08397	0.4
189.09140	0.2
191.10713	0.2
193.01364	0.3
195.02890	0.2
197.05957	0.3
199.07513	0.1
201.05586	0.7
201.09056	0.3
202.05688	0.1
203.07082	0.2
203.10666	1.1
205.08623	0.2
205.12213	0.4
207.02869	3.5
210.01598	0.2
211.07507	0.3
212.08330	0.2
213.09068	0.2
214.06294	0.8
217.12276	0.2
218.09366	0.2
219.10164	0.4
224.08366	0.2
225.03815	0.8
225.09189	0.3
227.06985	1.3
233.11717	0.5
237.05319	0.2
238.06238	3.7
239.06682	0.5
240.07732	0.9
241.08620	0.8
242.09326	0.3
243.06464	1.5
245.04500	0.3
253.08499	0.4
254.05745	0.4
255.06526	3.0
256.06964	0.2
266.05725	2.5
267.06427	0.7
268.07245	2.0
269.08078	2.9
270.05688	0.3
270.08841	5.7
271.06201	0.1
271.09271	0.5
273.07584	0.6
281.08072	24.2
282.05212	0.4
282.08456	2.0
283.05801	0.7
287.05405	0.4
295.05966	0.4
296.06766	1.6
297.07550	14.0
298.08310	15.2
299.08685	1.3
299.12283	0.3
309.07611	0.2
310.04752	0.1
311.05478	3.4
311.08997	0.3
312.05936	0.5
313.07037	4.5
313.10715	3.5
314.07800	6.4
314.10947	0.2
315.08188	0.5
323.05521	0.1
324.06363	1.5
325.07074	2.5
326.07516	0.3
339.08621	16.4
340.09000	1.6
342.07318	3.5
343.08044	1.2
357.09653	100.0
358.10001	8.8
358.14459	0.3
358.16815	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0967
Annotation	11-hydroxy-O-methyldihydrosterigmatocystin
Peak:m/z	Relative Intensity
55.97729	0.2
64.27000	0.2
65.03917	0.3
66.04715	0.3
67.05519	0.3
68.99806	0.7
69.53048	1.4
79.05476	0.6
91.05474	0.6
93.07008	0.3
94.04187	0.4
95.04968	0.6
98.22650	0.4
105.03387	0.3
107.01349	0.3
107.04918	0.4
108.02098	0.4
108.05750	0.4
109.02840	0.3
109.06528	0.6
110.03625	0.3
111.74103	0.2
121.02870	0.9
122.03676	0.6
125.02341	0.4
132.05728	1.3
133.06494	3.3
134.07301	0.4
135.04405	4.4
135.14171	0.2
136.01546	1.2
137.05991	0.9
138.03111	1.7
145.06502	0.4
146.07281	0.3
149.02333	0.6
151.03915	4.7
151.05035	0.4
151.07516	0.4
153.01820	1.9
154.02603	0.7
155.06963	0.3
159.04449	0.6
161.06003	0.5
165.01843	1.3
165.05470	12.2
166.02603	1.1
166.05850	0.4
167.07030	0.6
171.08034	0.4
177.05479	1.9
181.06401	0.4
181.08553	0.6
184.03789	0.4
193.01384	0.3
201.05397	0.5
203.10741	0.4
207.02873	3.1
212.08260	0.5
214.06255	0.8
225.03839	0.5
227.07042	1.1
233.11700	0.6
238.06271	3.0
239.07010	0.3
240.07860	0.8
241.08655	0.7
242.09377	0.3
243.06480	1.0
255.06488	2.7
266.05698	2.1
267.06372	0.9
268.07260	1.8
269.08090	2.4
270.05508	0.3
270.08868	5.0
271.09119	0.4
273.07492	0.4
281.08078	23.0
282.05255	0.6
282.08392	1.9
283.05936	0.9
287.05533	0.3
295.06003	0.7
296.06705	1.7
297.07568	11.6
298.08310	16.0
299.08646	1.6
311.05536	2.7
311.09033	0.4
312.05896	0.6
313.07019	4.3
313.10709	3.6
314.07828	5.9
314.11099	0.4
315.08395	0.6
323.05457	0.3
324.06223	1.3
325.07053	3.2
339.08627	16.4
340.08911	1.3
342.07291	3.7
343.08047	0.9
357.09665	100.0
358.09985	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	357.1178
Annotation	Juglanoside E
Peak:m/z	Relative Intensity
53.03946	4.3
55.01870	1.5
57.03445	2.0
61.82590	0.6
65.03925	1.5
66.04713	0.8
67.05495	1.0
69.03426	6.2
69.04652	4.6
69.05076	2.1
69.56779	0.7
71.04977	0.8
77.03918	0.7
79.05485	4.1
81.03414	24.9
81.07059	2.2
85.02901	7.4
91.05468	2.0
93.03407	1.2
94.04153	3.2
95.04966	2.8
96.05747	1.4
97.02903	1.9
98.23413	1.0
99.04462	3.0
107.33160	0.6
109.02869	9.9
109.06532	3.3
111.04458	1.1
111.08073	0.7
115.05458	2.1
116.39907	0.8
119.04944	0.7
122.03653	9.6
123.04412	2.5
124.05230	3.9
125.05977	0.8
127.03915	2.3
129.06949	1.1
137.05971	100.0
138.06323	3.1
139.03891	2.4
139.07550	5.6
143.04916	5.6
145.06537	0.8
147.04399	0.8
147.08093	1.1
148.25035	0.7
148.37183	0.6
149.05978	0.8
149.72385	0.8
151.03894	16.2
151.04977	1.4
151.07526	1.0
152.04701	6.7
154.06236	19.5
155.06943	0.9
156.04170	1.3
157.06482	0.8
161.05991	0.6
165.05455	0.7
167.07068	1.8
169.08603	4.9
175.07494	4.8
177.05423	0.8
181.04948	1.5
183.06512	1.2
185.08054	0.7
195.06514	90.9
196.06879	3.9
198.05222	1.3
203.07005	3.1
205.08636	3.0
213.07587	5.3
215.07094	0.8
219.08057	0.7
233.08054	1.0
236.23627	0.7
249.09213	1.0
265.08844	0.8
267.09970	0.8
279.10016	1.0
293.08124	0.8
299.09351	0.7
299.12762	0.9
307.09518	1.1
313.14548	0.7
321.11197	1.1
327.12210	12.4
328.12662	1.0
339.10727	14.7
340.11102	1.8
357.09109	1.2
357.13303	18.9
357.18027	1.0
358.13507	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1331
Annotation	Vitedoin A
Peak:m/z	Relative Intensity
55.01855	3.9
65.03940	1.9
67.05499	1.5
70.01087	4.3
73.02937	0.9
73.30643	0.9
77.03949	1.4
88.84773	1.1
91.05474	3.6
93.07072	1.1
95.04951	2.0
95.08612	1.0
101.94401	1.0
105.07006	1.5
108.02072	1.7
119.04938	1.8
122.03621	1.2
123.29276	1.0
128.06238	1.5
130.22105	1.0
131.04855	1.1
135.08064	1.5
137.05954	10.8
141.05460	1.6
144.05696	3.0
145.06439	2.0
147.08115	1.3
149.06003	1.3
151.03905	39.7
151.05037	5.5
151.07524	2.4
159.08049	3.7
161.05879	1.9
161.09613	2.8
165.07001	2.2
169.06509	1.1
178.07707	1.5
180.07806	1.3
181.06485	1.5
182.07234	1.6
187.07536	4.2
189.06966	1.2
190.07864	2.6
191.08553	5.4
192.09111	1.6
193.06487	1.7
194.07216	2.2
195.08043	2.4
197.05937	2.1
197.09615	2.4
199.56627	1.1
203.06947	1.3
207.08041	3.0
208.08835	4.1
209.09512	1.2
210.06804	1.4
211.07506	2.1
215.07001	12.1
218.07307	2.4
219.07980	5.7
220.08656	2.2
221.05981	2.3
221.09509	1.8
223.07550	2.6
223.11153	6.0
225.05418	2.3
225.09125	3.7
227.06979	6.0
233.09660	1.8
235.07532	5.2
236.08278	3.6
237.05368	1.0
237.09079	4.1
238.06232	2.0
240.07793	28.3
241.08206	1.3
246.06860	1.5
247.07489	2.5
249.05412	1.3
249.09012	3.0
250.09860	2.0
251.07013	6.0
251.10634	10.7
253.04947	1.7
253.08556	7.0
254.09204	1.9
255.06540	5.3
255.09886	1.3
261.09103	3.5
263.07007	10.1
264.04178	2.4
264.07742	4.7
265.04828	1.1
265.08591	3.2
267.06638	1.4
267.09869	1.3
268.07278	53.8
269.07706	3.8
270.08875	7.3
275.06781	1.4
278.09375	3.6
279.06543	4.9
279.10135	14.4
280.10776	2.7
281.08096	3.7
281.11417	1.4
283.09631	63.7
283.13217	20.0
284.09979	4.9
284.13480	1.7
289.08585	3.7
290.09390	2.9
291.06509	7.5
292.07245	1.7
293.08096	3.6
293.11761	3.9
294.08771	1.1
295.09647	3.0
296.06787	1.7
296.10342	3.9
297.07697	1.8
297.11151	2.4
298.08310	6.7
306.08853	12.6
307.09583	13.4
308.10153	1.8
309.11206	1.2
310.12027	1.6
311.09183	66.8
311.12701	10.3
312.09418	6.7
312.12729	1.7
321.11191	28.1
322.11490	2.7
323.09033	3.2
324.09912	7.3
327.12283	2.4
329.13892	3.9
337.10681	1.5
339.12241	100.0
340.12625	10.1
357.08975	2.5
357.13287	34.3
358.13641	2.8
361.31522	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.133
Annotation	Pluviatolide
Peak:m/z	Relative Intensity
51.02385	0.3
53.03934	0.6
55.01862	0.7
65.03946	0.6
66.04722	0.4
67.05495	0.5
69.03413	0.8
69.30293	0.6
69.30717	0.8
77.03914	0.2
79.05496	1.3
81.03411	3.5
81.07061	0.9
85.02905	0.9
89.03947	0.3
91.05470	1.5
93.03403	0.3
93.07059	0.3
94.04181	2.7
95.04975	1.0
95.08582	0.2
96.05748	0.3
96.06493	0.2
97.02891	0.3
100.34177	0.2
103.05472	0.7
105.03421	0.3
105.07043	0.7
107.04966	1.1
107.08580	0.3
108.02111	0.4
108.46865	0.2
109.02852	1.1
109.06516	0.7
111.04448	0.3
112.07417	0.2
115.05439	1.8
117.03403	0.4
117.07008	1.0
119.04957	0.5
119.08570	0.4
121.06527	0.5
122.03639	7.6
123.04405	0.2
123.08083	0.3
124.05241	0.4
127.03913	0.5
128.06204	0.4
129.07014	0.8
131.04958	1.0
132.05695	0.5
133.02908	0.3
133.06508	0.3
135.04425	0.4
136.01579	0.2
137.05972	100.0
138.06291	3.6
139.03860	0.3
139.07536	0.6
141.05455	0.6
143.04913	6.2
143.06023	0.4
144.05402	0.2
145.02834	0.5
145.06456	0.6
147.04419	0.9
149.05981	0.8
151.03906	17.6
151.05013	1.8
151.07460	0.4
152.04555	1.0
153.05460	0.4
154.06235	1.9
157.06505	0.7
160.05200	0.4
161.05954	1.2
162.06744	0.6
163.07593	1.1
164.08318	0.5
165.05554	0.4
165.06905	0.3
165.08856	0.2
167.07037	0.8
169.08530	0.4
174.06706	0.3
175.07532	2.2
177.05508	1.5
177.09082	0.5
178.07771	0.3
181.06725	0.2
187.07613	0.5
189.07254	0.2
189.09151	0.7
190.07851	0.4
191.07016	0.5
191.08611	0.4
192.07855	0.5
195.06517	10.0
196.06825	0.5
203.07036	2.7
205.08580	3.0
207.08093	0.3
208.08815	0.3
209.09515	0.2
213.07520	0.5
215.06921	1.0
218.07318	0.4
219.08119	0.6
221.05867	0.4
222.06735	0.3
225.09076	0.2
233.08072	0.6
234.06776	0.5
235.07555	0.7
236.08215	0.4
237.09181	0.4
238.06116	0.3
239.06961	0.3
243.06465	0.3
247.07526	0.5
248.08342	0.2
249.08998	0.4
250.06218	0.3
251.06998	0.8
252.07843	0.2
253.08632	0.6
254.09439	0.3
255.06625	0.3
261.09155	0.5
263.06967	0.3
264.07748	0.7
265.08582	0.6
266.09061	0.3
267.10141	0.3
277.08466	1.1
279.06641	0.3
279.10156	1.0
281.07965	0.6
283.09601	0.4
286.08249	0.3
293.07986	0.2
294.08945	0.2
295.09589	0.5
296.10269	0.2
297.11050	1.3
306.08875	0.3
307.09583	1.4
309.11169	0.7
311.12656	0.5
313.10712	0.4
321.11121	0.3
325.10648	1.9
326.11441	0.3
327.12241	10.6
328.12582	1.0
339.10849	1.5
340.12378	0.2
357.13303	19.1
357.18533	1.1
358.13599	2.4
358.17786	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1331
Annotation	Vitedoin A
Peak:m/z	Relative Intensity
53.03947	2.3
55.01873	27.3
55.05502	2.3
65.03927	4.9
67.05500	3.6
68.99792	2.1
69.03440	3.3
69.07076	2.1
69.31224	11.1
79.05500	7.9
81.03412	3.6
81.07069	10.7
83.08614	3.0
85.02864	1.6
85.15027	1.6
89.03933	1.8
91.05476	11.1
93.03413	5.1
93.07030	3.6
94.04169	9.4
95.04935	2.9
95.08602	4.4
103.05463	8.8
105.03366	2.0
105.07038	6.9
107.04945	4.7
107.08540	2.3
109.06518	7.6
109.10139	2.0
111.03743	1.5
111.04436	6.6
115.05465	9.6
116.06294	1.8
117.03366	5.1
118.04179	2.1
119.04916	3.1
119.08585	1.8
121.06483	6.5
122.03648	22.1
125.05981	6.2
129.06970	2.8
130.04117	2.0
131.04939	7.1
133.06451	4.4
134.03596	1.8
135.04366	2.4
137.05972	100.0
138.06293	3.6
143.04938	4.9
143.06905	1.9
144.05675	3.8
145.02847	3.2
145.06451	2.6
146.03636	7.5
146.86009	1.5
147.04395	5.5
149.05949	5.1
151.03902	7.7
151.07530	3.6
152.06230	2.3
153.05443	5.3
153.06813	1.8
155.04883	7.1
160.05180	3.2
161.05972	23.2
162.06744	6.8
163.07552	2.8
165.05484	41.1
165.06926	5.1
166.05862	2.2
167.07083	2.5
171.04463	3.7
172.05211	3.4
173.05956	2.8
175.07544	8.0
177.05481	14.5
178.06160	1.8
178.07721	3.5
179.07059	1.7
179.08528	5.5
180.09221	1.8
181.06493	4.0
181.08429	2.0
183.04424	4.5
184.09047	3.2
185.05934	3.4
187.07562	7.3
189.05565	2.1
189.06985	11.9
190.07770	14.6
191.08537	20.3
193.06688	2.6
194.07275	3.3
195.06520	6.0
195.08102	3.3
199.07571	2.0
200.04657	3.2
201.07051	3.6
202.07770	4.8
203.07013	10.1
203.08545	3.1
205.06465	6.8
205.08194	1.6
206.07191	7.2
207.08018	14.1
208.08791	6.5
209.05891	2.6
215.06981	12.8
215.08733	2.8
217.06490	5.5
218.07262	31.7
219.08035	41.0
220.05078	1.8
220.08725	4.9
221.06010	7.6
221.09494	2.2
222.06674	4.0
223.07501	3.6
225.09195	2.8
229.06387	7.7
230.06973	2.0
231.08083	4.6
233.05968	3.1
233.09631	4.1
234.06693	12.4
235.07495	25.1
236.08257	11.0
237.05461	3.1
237.09097	5.8
238.06284	1.7
239.06987	2.3
241.08484	3.0
245.06001	4.8
246.06760	24.5
247.07529	36.6
248.08107	7.8
249.05434	4.9
249.09081	15.2
250.06267	2.2
250.09785	3.5
251.07013	7.1
251.10648	6.8
252.07605	3.6
253.08591	3.4
257.06036	8.9
258.06561	3.5
259.07626	4.1
261.09119	33.6
262.06250	7.8
262.09250	2.4
263.07022	21.0
264.07782	18.2
265.08560	8.9
266.09393	2.2
267.10114	6.1
269.08057	4.3
271.09552	1.9
274.06235	21.1
275.07016	21.6
276.07550	7.3
277.08542	23.1
278.09253	10.3
279.06970	3.1
279.10107	19.6
280.07178	2.4
280.10641	2.7
281.08047	3.3
283.09799	2.7
284.10272	2.3
289.08582	44.2
290.09161	10.3
291.06467	8.3
291.09729	3.2
292.07236	6.1
293.08142	3.1
293.11679	3.1
294.08826	7.7
295.09570	8.0
296.10144	4.0
297.11279	2.4
299.12650	1.8
306.08798	12.6
307.09619	90.6
308.10083	9.9
308.28445	1.5
309.07553	3.6
309.11136	17.7
310.11380	2.0
311.12866	4.8
321.11191	49.9
322.11600	4.4
324.09793	2.5
325.10504	3.6
327.12247	20.6
328.12738	2.4
339.12213	29.9
357.13315	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	357.1331
Annotation	Larixnaphthaone
Peak:m/z	Relative Intensity
53.03930	2.0
55.01867	1.6
55.05509	1.9
65.03922	2.2
67.05486	3.6
69.07064	1.5
69.69070	4.6
79.05491	4.1
81.03408	2.2
81.07054	3.7
83.04996	1.2
85.02833	0.9
85.06569	1.5
89.74785	0.8
91.05492	8.5
93.07036	3.7
94.04160	1.2
95.04957	2.9
95.08592	3.3
102.31542	0.8
103.05462	2.7
103.84833	0.9
105.07025	2.6
107.04955	3.7
108.02075	2.2
109.02872	1.7
109.06561	1.3
115.05459	3.5
117.07014	9.2
119.04968	3.0
119.08611	1.9
121.06520	2.9
121.10144	1.9
122.03648	2.1
123.04419	5.0
123.08165	0.9
124.05167	0.9
127.05489	1.0
128.06241	3.5
129.07008	13.7
131.04944	4.1
131.08565	2.8
133.06496	1.1
133.10161	1.0
135.04424	1.0
137.02367	3.2
137.05980	23.4
137.07019	1.6
141.05449	2.7
141.06990	1.5
143.04973	0.8
143.08577	2.1
144.05701	1.9
145.06487	20.0
145.10110	1.9
147.04430	2.8
147.08168	1.0
149.05954	6.7
151.03909	80.7
151.05002	7.3
151.07509	11.6
152.04219	3.6
153.05461	1.0
155.04868	1.0
157.06491	14.4
158.07246	2.1
159.08051	10.7
161.05949	2.2
162.06779	2.6
163.03856	1.7
163.07549	4.4
164.08331	1.5
165.05486	12.2
165.09123	1.7
166.05959	1.4
167.07074	6.6
171.08034	2.7
172.05179	2.3
173.05971	20.1
174.06805	5.2
175.07521	3.5
177.05467	2.6
177.09106	7.6
178.07799	1.1
178.09883	1.1
179.07031	1.1
179.08507	1.0
181.08585	10.8
183.07927	0.9
187.07529	10.6
188.08284	3.9
189.09091	16.9
190.06230	17.9
190.07848	1.7
190.09386	1.2
191.06960	4.7
191.08626	3.7
191.10521	1.0
193.10210	1.7
195.06496	2.0
195.08112	1.6
201.05386	4.3
203.07019	1.3
203.10690	6.4
205.06729	1.1
205.08586	28.5
206.08861	1.1
207.08205	1.8
207.09912	1.2
208.08788	2.9
211.07481	1.4
215.07028	8.5
218.05772	2.9
218.07547	1.3
219.06384	2.8
219.08270	8.0
219.10207	2.3
221.06059	2.2
221.09598	2.8
223.07495	1.2
225.09067	2.8
233.08078	100.0
234.08395	6.0
235.07457	3.1
236.08307	3.2
237.09152	2.5
238.09860	1.7
241.08603	1.3
247.07520	5.8
248.08237	1.2
249.05453	1.1
249.09116	4.0
250.09770	1.8
251.06743	1.3
251.10725	6.7
252.11304	1.5
253.08546	7.1
253.12354	4.6
254.09502	1.4
255.10112	1.2
263.06979	2.4
264.07767	3.9
265.08505	5.3
266.09116	1.2
267.10065	2.2
268.07318	1.0
268.10873	3.7
278.09445	1.2
279.10126	13.1
280.10934	2.0
281.08426	7.5
281.11734	6.6
282.08786	2.6
283.09680	1.8
284.10425	2.8
296.10406	26.1
297.11099	12.0
298.11710	1.3
300.09924	2.2
307.09796	3.0
311.12756	93.2
312.13120	8.2
313.14273	2.8
325.10709	3.3
329.13812	12.9
330.14297	1.1
339.12241	10.6
340.12234	1.0
357.13306	45.4
357.17020	2.8
358.13651	3.8
373.00290	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1331
Annotation	Ocophyllal B
Peak:m/z	Relative Intensity
50.70554	0.2
51.10233	0.2
51.10687	0.3
67.05495	0.4
69.07063	0.3
81.07063	0.3
91.05476	0.3
95.08628	0.3
105.07029	0.3
109.10181	0.3
121.02883	0.4
124.05223	0.6
135.04419	0.4
139.03893	0.3
151.03894	0.9
152.04666	0.5
162.06778	0.7
163.07576	0.6
165.05521	1.8
167.03392	1.7
167.07080	0.4
177.05434	0.4
179.03392	0.7
179.63168	0.2
180.04132	0.3
181.04956	7.6
193.08667	0.2
197.04468	0.2
253.08574	0.4
269.08069	0.9
269.11526	0.4
270.08685	0.5
271.09576	0.4
281.08118	0.8
284.07315	0.4
284.10382	2.5
296.07101	0.3
296.10434	0.8
297.07529	1.5
297.10800	0.4
298.08331	3.3
299.09073	2.7
311.05814	0.4
311.09259	0.6
312.06302	0.4
312.09900	1.0
313.07153	0.7
313.10654	7.8
314.11234	1.2
325.07062	2.3
325.10754	0.6
326.03961	0.4
326.07852	8.8
327.08594	4.7
328.09341	2.5
339.08566	0.6
341.10190	39.0
342.10931	26.5
343.11392	1.7
357.13303	100.0
358.13654	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	357.1332
Annotation	Ocophyllal B
Peak:m/z	Relative Intensity
52.89435	0.2
55.05508	0.7
57.07079	0.6
58.84388	0.2
59.78297	0.2
67.05511	0.4
67.41040	0.2
69.07070	0.6
70.06606	0.8
75.33525	0.2
75.67993	0.2
79.05505	0.4
81.07055	0.4
83.01349	0.3
83.08627	0.4
85.40163	0.2
88.07628	1.3
91.05495	0.4
93.07052	0.3
102.09176	0.3
106.08699	0.5
107.04957	0.9
108.05733	0.4
121.06522	0.8
125.06033	0.3
135.04420	5.8
135.11723	0.2
137.05975	0.9
145.06543	0.3
146.49995	0.2
149.05957	0.5
151.03873	0.5
163.03882	1.3
165.05502	1.2
177.05495	0.2
179.03416	1.1
181.04904	0.2
191.03427	0.6
197.09587	0.3
201.05376	0.3
211.07567	0.3
215.10594	0.3
225.09167	0.7
237.09091	0.4
239.10655	0.2
241.08539	0.6
242.09308	0.3
243.07968	0.2
243.10182	0.9
251.06961	0.3
253.08627	0.9
256.07410	1.0
266.09213	0.3
267.06552	0.4
267.10022	0.3
268.11017	0.2
269.08096	0.5
270.08783	0.4
271.06509	0.2
271.09726	0.9
281.08099	3.7
282.08551	0.5
283.06079	0.3
283.09564	0.3
284.06787	1.7
284.10013	0.4
293.08105	0.3
295.09637	0.7
296.07190	0.3
296.10394	0.7
297.07697	1.1
298.08505	1.0
299.09113	6.4
300.09445	0.5
308.06674	0.3
309.07498	1.0
311.09155	3.8
312.06198	1.7
312.09894	2.9
313.06949	0.3
313.10638	4.0
314.11276	0.4
323.09149	4.7
323.12924	0.2
324.09912	14.8
325.06943	0.3
325.10400	1.9
326.07846	0.4
327.08627	57.8
328.08966	5.6
328.12839	0.2
341.06036	0.4
341.10196	9.5
342.10959	27.7
343.11371	2.8
344.08813	0.9
356.31256	0.2
356.35266	3.7
357.13309	100.0
357.35486	2.4
358.13641	9.2
358.17105	0.2
358.36792	2.4
368.98981	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80457	0.6
56.96551	6.6
60.51046	0.6
69.03431	1.6
70.06580	2.8
79.01828	0.6
81.03406	0.9
84.08139	2.5
85.02905	1.7
97.02895	1.3
98.97561	4.2
100.53300	0.6
109.02908	1.5
110.40988	0.6
116.98593	1.5
119.01939	0.9
123.06797	0.8
125.02290	0.6
129.10249	0.9
129.67303	0.6
137.05963	0.7
138.02277	1.1
140.93478	0.6
141.05507	0.6
142.01802	0.8
142.08589	0.7
153.01828	7.0
153.02940	1.1
155.01817	0.7
156.03317	52.3
158.99808	0.6
160.07541	0.9
161.02992	0.8
167.07065	0.8
168.03319	24.2
169.03613	0.7
172.94350	1.5
174.04379	46.5
175.04730	1.2
177.00974	2.6
177.05444	0.8
178.08659	1.4
186.04378	100.0
187.04668	2.5
190.95465	1.3
192.05446	5.7
196.09697	5.5
201.00876	0.9
204.05437	66.4
205.05722	1.3
207.04924	0.8
209.05978	2.0
217.04105	1.8
219.01999	3.2
222.06461	3.3
227.02431	1.1
227.07019	0.7
228.05426	42.7
229.05779	2.2
232.96466	3.4
235.10100	0.6
237.06137	0.7
245.03601	2.2
246.06497	36.3
247.06860	1.3
250.97484	2.0
264.07309	0.7
269.03717	1.3
269.08093	0.8
271.01508	1.2
272.01395	0.8
274.97443	0.6
279.10141	20.1
279.13193	1.0
280.10541	1.9
289.02405	1.2
293.67813	0.6
297.08279	1.4
297.11203	35.9
298.11459	1.8
303.01297	1.0
314.95224	1.1
315.00494	1.2
315.07816	2.8
315.12177	1.5
316.00436	0.6
332.96707	1.3
333.01428	2.6
333.04984	0.8
357.11349	9.2
357.24948	2.2
358.15353	3.4
375.05759	1.0
376.98175	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
55.01876	0.6
55.05492	0.2
57.26747	0.3
60.78925	0.2
65.03937	0.9
66.04720	1.5
67.05493	1.4
67.88287	0.2
68.99777	0.4
69.03410	0.4
70.59361	0.6
77.03925	0.9
79.05491	4.8
81.03415	0.5
81.07063	1.6
91.05493	1.7
92.02623	0.3
93.07011	0.9
94.04189	3.1
95.04982	2.2
95.08591	0.4
98.03658	0.3
101.06012	0.3
103.05454	0.7
105.03417	0.6
105.04491	0.6
107.04948	1.6
107.08624	0.4
108.02112	1.0
109.02895	1.1
109.06519	2.3
119.04930	0.5
121.02875	0.7
121.06469	0.6
121.31272	0.2
122.03642	3.6
123.04456	0.4
123.11658	0.4
124.50014	0.2
126.03148	1.4
128.06204	0.3
132.05699	2.3
133.06511	2.9
135.04413	4.7
135.08055	0.3
136.01552	5.5
137.05965	3.1
141.05493	0.8
143.08553	0.6
145.10153	0.4
148.05145	0.5
149.05974	0.3
151.03906	32.1
151.04993	2.5
151.07501	1.8
152.04227	1.5
152.84590	0.2
153.05525	0.5
154.02608	3.0
155.07010	4.2
159.08035	0.5
161.06027	0.4
163.07541	0.4
165.05469	100.0
166.05824	3.8
167.07028	1.9
171.08054	0.7
173.05956	0.3
174.10431	0.4
178.06216	0.2
181.08592	3.4
182.08983	0.5
188.08286	0.9
191.06996	0.2
195.36378	0.2
202.09888	0.2
203.10648	3.2
204.07748	0.4
205.08624	0.3
205.12242	0.8
207.02884	3.6
210.01604	0.3
212.08322	0.7
214.06259	2.8
215.06851	0.3
218.09355	0.5
219.10199	0.6
225.03870	0.6
233.11726	1.7
237.05423	0.3
240.07852	2.1
267.06519	0.9
268.07251	3.1
269.07642	0.3
296.06705	2.7
311.05478	12.1
312.05807	1.0
324.06271	4.2
324.09915	0.2
325.06589	0.7
339.08618	53.2
340.08969	5.5
357.09576	0.7
357.13382	0.3
357.16910	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86730	0.3
53.03950	2.0
55.01904	0.8
55.05527	0.6
63.58593	0.2
65.03938	1.8
66.04768	0.9
67.05503	3.2
69.03452	0.3
69.07074	0.4
70.58789	0.7
71.01418	0.4
75.64726	0.3
77.03979	1.1
79.05493	4.5
81.07055	1.9
83.05016	0.3
85.02923	0.4
91.05476	1.5
93.07040	0.7
94.04185	2.5
95.04974	2.5
95.08642	0.9
97.10158	0.3
98.03632	0.3
103.05493	0.7
105.04575	0.8
105.07082	0.9
107.05000	0.7
107.08640	0.6
108.02086	2.2
109.02895	0.8
109.06538	2.2
109.10134	0.3
111.04492	0.3
117.07026	0.4
119.05004	0.4
119.08586	0.5
121.02901	0.4
121.03961	0.4
121.06499	0.4
121.10136	0.3
122.03655	2.9
123.04421	0.5
123.08128	0.3
123.11745	0.4
126.03163	1.0
129.07079	0.3
131.04912	0.5
131.08604	0.7
135.04459	1.0
135.08075	0.3
135.11739	0.5
137.05975	2.3
137.09566	0.3
141.05470	2.3
143.08549	0.3
147.04462	0.3
147.11627	0.3
149.06036	0.3
151.03912	100.0
151.05003	8.7
152.04257	3.7
155.07014	3.7
159.08058	0.7
163.07561	0.9
165.05475	85.0
166.05826	3.1
167.06990	0.4
181.08463	0.5
191.10648	1.0
203.10652	0.3
205.08502	0.4
205.12231	1.1
219.10028	0.8
233.05966	0.3
233.11586	1.1
245.13585	0.3
283.56769	0.3
284.16168	0.4
287.12692	0.4
297.11243	0.3
339.12076	0.4
357.09412	0.6
357.12973	0.6
357.16992	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50131	0.5
53.03941	2.5
55.01859	2.9
55.05493	0.9
55.62679	0.5
57.03429	2.0
65.03942	2.6
67.05508	3.9
69.03425	0.9
69.06028	1.8
69.06451	3.2
69.07067	1.0
71.04978	0.8
77.03910	1.3
78.04680	0.9
79.05493	10.8
81.07059	3.5
83.08669	0.7
84.82569	0.5
85.06529	0.9
89.03903	0.5
91.05482	35.1
92.05777	1.2
93.07043	3.7
94.04189	1.0
95.04973	5.1
95.08605	2.8
97.06498	0.7
97.10202	0.5
98.23328	1.3
99.08118	0.6
103.05467	19.4
105.03395	1.5
105.04509	1.6
105.07030	12.4
107.04954	43.3
107.08630	2.5
108.02120	0.7
108.05738	2.0
109.06543	3.0
109.10143	1.8
111.04414	0.6
111.08090	0.6
115.05437	5.4
116.06258	0.5
117.07018	4.0
118.04150	1.0
119.04944	34.6
119.08572	2.4
120.05711	1.7
121.06516	4.2
121.10155	1.0
122.03645	1.5
123.04435	1.8
123.08068	5.2
123.11697	0.7
131.04922	4.9
131.08585	2.0
132.05722	0.7
133.06479	5.1
133.10075	1.6
134.03627	0.7
134.07245	0.9
135.04424	2.0
135.08057	14.1
135.11681	0.7
136.05214	2.6
137.05974	5.9
141.05446	1.3
141.07037	0.8
143.08594	0.9
144.05736	0.7
145.06488	2.2
145.07541	1.2
145.10114	1.2
146.07245	4.4
147.04410	15.2
147.08060	8.5
147.11711	1.0
148.05116	1.7
149.05980	1.9
149.09650	1.3
150.06735	3.0
151.03914	50.2
151.04987	4.3
151.07538	50.2
152.04294	1.5
152.07906	1.8
153.05481	3.6
155.07068	1.3
159.08058	2.0
159.11696	1.0
161.05952	2.2
162.06732	3.8
163.03888	2.7
163.07542	44.6
164.08067	2.0
165.05481	43.7
165.06610	1.5
165.09103	6.8
166.05806	1.5
167.07022	1.6
171.11617	0.6
173.06017	0.7
173.09564	0.9
173.13319	0.5
175.07562	1.5
177.09117	3.2
178.06587	3.2
178.09888	100.0
179.07034	51.9
179.10384	6.3
180.07393	2.1
181.08571	1.6
181.10143	0.7
187.07579	2.7
188.08330	1.0
191.07005	1.2
191.10652	0.8
193.08620	4.6
194.09364	5.6
195.08064	0.9
201.09187	1.6
203.10683	1.5
204.07773	0.9
205.08598	21.6
205.11937	0.8
206.08931	1.2
211.07509	0.7
213.16594	0.8
217.12317	0.7
219.08134	1.0
219.10130	7.3
220.10555	0.6
225.09109	1.0
227.10396	0.6
231.17220	0.6
241.08601	1.4
255.10237	0.6
271.09729	0.8
279.10202	0.9
282.08875	0.7
284.10413	0.8
288.05838	0.5
294.06537	0.5
297.11334	0.7
299.12366	0.6
301.10703	0.8
307.09552	0.8
311.09219	0.7
315.12122	0.7
316.12930	2.7
324.06714	0.5
329.13568	0.7
339.08566	1.9
339.12277	1.3
339.15887	1.0
339.26801	0.6
357.05899	0.8
357.09531	2.0
357.13287	2.1
357.17102	4.0
357.27899	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1694
Annotation	Gingerenone A
Peak:m/z	Relative Intensity
51.02361	1.0
53.03938	1.4
55.01874	2.0
55.05497	2.4
56.44255	0.8
62.60586	0.9
65.03927	1.7
67.05496	3.6
69.03426	1.7
69.07056	1.2
69.27164	5.4
71.04977	1.2
77.03921	1.1
78.04679	1.0
79.05483	7.9
81.03429	1.0
81.07045	3.2
83.08629	0.9
85.06543	7.1
89.03928	0.9
91.05473	34.0
93.07045	6.2
94.04183	2.1
95.04971	5.2
95.08604	2.4
102.04665	1.4
103.05464	19.1
105.07024	13.8
107.04947	25.0
107.08599	2.0
108.05756	1.6
109.02866	1.2
109.06508	3.6
109.10131	2.1
115.05450	15.4
115.06223	1.1
116.06262	3.0
117.07021	20.9
118.04263	0.8
119.04932	16.8
119.08575	3.8
121.06499	43.7
121.10136	2.2
122.03646	1.3
122.06838	1.5
123.04418	5.2
123.08058	3.4
128.06197	2.2
129.06992	1.9
130.04129	1.7
131.04927	26.8
131.08568	2.4
132.05722	1.6
133.06499	12.3
133.10120	1.4
134.07251	3.1
135.04419	3.5
135.08029	7.8
135.11705	1.8
136.05191	4.0
136.08354	0.9
137.05972	24.4
141.06927	1.5
144.05711	2.6
145.06511	12.3
145.07584	1.8
145.10136	1.4
146.07262	68.9
147.04407	15.9
147.08095	9.2
147.11613	0.9
148.05180	1.2
149.05974	6.7
149.09650	4.5
150.06766	4.5
151.03926	8.3
151.07532	53.9
152.07907	2.5
153.05466	5.8
153.06958	1.3
155.05980	1.2
157.06496	1.2
158.07294	1.5
159.04405	0.9
159.07997	3.2
161.05980	8.0
161.09592	1.3
162.06754	22.9
163.03909	1.5
163.07533	23.8
164.08206	2.7
165.05466	6.8
165.06888	1.4
165.09113	16.6
166.09450	0.8
167.07030	3.7
167.08487	1.4
169.06474	2.0
173.06013	2.7
173.09637	2.2
175.07524	2.1
177.05505	1.3
177.09102	43.4
178.09885	40.6
179.07019	100.0
180.07431	4.8
181.06479	3.2
181.08568	1.7
183.07999	1.1
187.07536	6.7
188.08154	1.2
189.09113	4.5
191.07079	4.3
191.08563	1.1
191.10655	1.8
193.06889	1.3
193.08597	10.4
193.10208	1.3
194.09305	1.5
195.06499	1.5
195.08046	2.3
197.06097	0.9
197.09610	0.9
198.06708	1.6
201.09091	4.3
203.06929	1.1
203.10693	1.7
205.04880	1.2
205.08578	10.2
206.09091	0.9
207.08092	2.1
208.08806	1.6
209.05928	1.6
209.09592	1.7
211.07518	2.5
212.08165	1.4
213.09116	2.7
215.06920	2.1
217.12263	2.4
219.08112	1.7
219.10095	11.5
221.05989	2.0
221.09764	1.0
221.11801	1.4
222.10327	1.0
223.07582	2.0
224.08240	1.6
225.09157	2.1
226.06215	2.3
226.39034	0.9
227.06778	1.5
227.10632	0.9
233.09695	1.2
235.07529	2.0
236.08284	1.3
237.09129	2.2
239.07074	1.0
239.10651	1.2
240.07733	1.3
241.08586	5.3
247.07430	2.0
249.05440	0.9
249.09206	1.1
250.09978	0.9
251.06956	1.3
251.10754	1.6
252.07823	1.0
253.08598	2.8
254.09193	1.0
255.06386	1.0
255.10213	3.4
261.09067	1.1
263.07080	1.0
264.07761	2.1
265.08606	1.8
266.09326	1.2
267.10236	1.4
268.11090	1.1
269.08105	4.4
269.11722	0.9
270.08755	1.1
271.09726	1.6
275.10724	1.1
277.08539	2.1
278.09219	1.3
279.10175	2.5
281.07959	1.2
281.11517	1.1
283.09647	3.5
283.12701	1.1
284.10233	3.7
292.07327	1.0
293.11768	1.3
295.09769	1.8
295.82028	0.9
297.11246	2.5
300.13831	1.0
301.10751	2.5
307.09607	2.8
307.13287	3.3
308.14011	1.2
311.12543	1.6
314.11353	1.0
315.12152	1.2
316.13098	4.7
325.10599	1.1
325.14090	1.7
327.12231	1.5
329.13681	3.3
339.12024	2.7
339.16010	2.5
346.88855	0.9
357.09418	1.7
357.13211	8.7
357.17010	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	357.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.1
55.01877	3.0
55.05499	1.2
57.03417	1.4
65.03931	2.9
67.05489	2.3
69.03433	0.7
69.07053	0.6
70.19307	0.8
70.19720	1.3
72.34242	0.4
77.03932	0.8
79.05492	7.8
81.03412	0.8
81.07038	1.6
83.04959	0.5
83.08624	0.5
85.02896	0.8
85.06540	1.7
91.05476	32.4
91.70094	0.4
92.05772	0.6
93.07031	3.5
95.04974	3.4
95.08599	4.0
103.05464	16.1
104.11462	0.5
105.03388	0.5
105.07028	10.2
105.07727	0.5
106.04125	0.5
107.04950	41.4
107.08584	2.0
108.05727	1.4
109.06508	1.5
109.10151	1.0
115.05445	5.0
117.07040	2.6
118.04155	1.3
119.04938	31.9
119.08601	0.8
120.05695	1.5
121.06491	4.6
121.10147	1.0
123.04414	1.8
123.08080	4.1
129.06941	0.5
131.04918	4.0
131.08511	1.0
133.06468	4.9
133.10205	0.5
134.07281	0.6
135.04393	2.4
135.08047	11.8
135.11589	0.6
136.05243	2.7
136.08382	0.6
137.05975	4.1
139.07550	0.5
141.07025	0.6
143.04872	0.6
143.08571	0.9
144.05688	0.6
145.06454	1.8
145.07619	1.6
145.10126	0.6
146.07246	4.4
147.04404	13.9
147.08043	8.7
148.05060	0.9
149.02357	0.5
149.05978	1.9
149.09639	0.6
150.03116	0.5
150.06763	1.6
151.03928	4.7
151.07535	41.9
152.07887	1.8
153.05435	3.2
153.12828	0.5
154.01918	0.4
159.08034	1.8
160.05339	0.6
161.05986	1.7
162.06767	2.8
163.04001	2.4
163.07536	43.9
164.07973	1.9
165.05470	6.7
165.09119	6.1
167.07047	1.9
171.08078	0.5
171.11664	0.5
171.79535	0.4
173.09633	0.9
175.07512	0.8
177.05499	0.8
177.09074	4.4
178.06602	2.9
178.09882	100.0
179.07025	51.7
179.10349	7.4
180.07399	2.4
181.08614	1.1
187.07541	2.5
188.08261	0.6
189.09007	0.6
190.06163	0.6
191.06967	1.2
191.10674	0.9
193.08609	3.7
194.09364	3.8
201.09090	0.6
202.07739	0.4
202.09769	0.6
203.10657	1.5
204.07706	0.5
205.08591	18.6
206.08955	1.0
212.08281	0.5
215.06935	0.5
217.12276	1.1
219.10141	7.9
241.08298	0.5
242.09372	0.5
245.13766	0.6
255.10133	0.6
267.09192	0.5
273.11206	0.4
285.10364	1.2
297.10974	0.6
301.10602	0.4
307.09659	0.5
316.12845	2.0
339.12122	0.8
357.13193	2.2
357.16983	3.1
357.24051	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.6
53.15881	1.0
53.78095	1.0
56.69864	1.1
57.03437	2.2
60.49752	1.1
66.04742	1.3
68.02047	1.1
69.68233	3.9
72.22490	1.2
76.81359	1.0
77.53740	1.0
79.05484	8.2
81.07063	1.7
90.04763	1.2
91.05482	6.1
95.04965	1.7
98.23349	1.2
103.05463	12.9
105.07027	17.3
107.04972	3.8
108.05737	1.4
109.02853	2.8
109.06515	1.9
115.05452	1.7
118.04169	23.3
119.04949	3.2
120.05756	2.5
121.06512	2.4
122.07269	2.0
124.05175	11.0
131.04973	2.2
133.06483	30.4
134.07315	1.4
135.04428	3.7
135.08066	4.7
137.05983	2.7
147.04393	4.1
148.85715	1.1
149.05983	1.8
150.06758	10.4
151.03908	3.4
151.07536	3.8
161.05983	5.9
163.07565	2.5
164.08272	1.6
165.05467	3.4
165.09106	17.7
166.09535	1.2
193.08595	100.0
194.08878	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	357.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.6
55.01860	2.3
55.05501	1.3
56.81547	0.7
57.03415	2.2
57.07058	1.1
65.03928	2.8
65.86705	0.7
67.05505	2.3
69.07063	0.8
69.20670	0.6
69.20955	6.5
73.20029	0.7
79.05486	11.5
81.07041	1.9
84.02994	0.7
91.05478	41.2
92.05787	1.2
93.07030	4.6
94.04155	1.0
95.04985	4.4
95.08597	2.4
103.05466	26.7
105.04514	0.8
105.07027	20.0
106.07350	0.7
107.04951	52.0
107.08565	2.2
108.05760	1.5
109.06508	2.7
109.10134	1.3
115.05457	7.4
117.07022	4.2
118.04137	1.7
119.04945	38.8
119.08556	2.4
120.05701	2.4
121.06506	7.7
121.10040	0.7
123.04415	1.4
123.08060	5.8
131.04919	6.8
131.08633	1.4
132.05650	0.7
133.06467	6.0
133.10094	0.9
134.07211	0.9
135.04402	1.5
135.08047	20.5
136.05200	3.3
137.05965	4.7
138.06747	1.0
145.06462	2.1
145.07593	1.2
145.10109	1.5
146.07272	5.4
147.04410	16.1
147.08038	11.3
147.11743	0.9
148.05202	1.0
149.05997	2.1
149.09615	1.7
150.06766	2.9
151.03918	6.9
151.07538	63.9
152.07916	2.9
153.05493	4.3
157.10094	1.0
159.08011	2.1
161.06006	2.8
162.06772	6.0
163.03889	2.2
163.07538	52.6
164.08093	2.3
165.05472	18.5
165.06750	0.7
165.09117	9.0
166.05733	0.8
167.07076	0.8
171.08058	0.8
173.06023	0.8
173.13257	0.8
175.07635	0.8
177.05429	0.8
177.09131	4.1
178.06314	4.1
178.09886	100.0
179.07030	54.7
179.10466	8.4
180.07364	2.6
181.08574	2.1
185.13332	0.8
187.07585	2.5
188.08255	1.2
189.09062	1.0
193.08623	6.8
194.09367	8.8
201.09142	1.6
202.09897	0.8
203.10716	1.6
204.07880	0.8
205.08612	24.1
206.08853	1.1
219.10150	6.7
241.08594	1.2
273.11111	1.4
287.12839	1.0
298.08673	0.9
301.10522	0.9
316.13083	1.3
343.03906	0.8
357.09741	1.7
357.13205	4.9
357.16940	2.7
357.20596	1.5
358.13486	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.4
55.01857	2.9
55.05523	4.0
55.20244	1.6
57.03435	2.3
65.03954	2.5
67.05503	8.7
69.07066	3.5
75.65240	1.4
79.05498	24.4
79.12102	1.8
81.03442	1.8
81.07070	10.2
83.08624	3.2
84.08144	2.6
91.05483	38.8
92.06287	2.7
93.07050	14.3
95.04939	7.9
95.08617	7.5
97.06525	1.9
98.22517	2.6
103.05476	18.7
105.07026	25.3
107.04952	56.5
107.08620	3.1
108.05769	3.6
109.06494	3.0
109.10151	3.5
115.05473	4.5
116.66276	1.7
117.07032	5.9
118.04144	1.7
119.04948	25.9
119.08610	2.6
120.05797	3.4
121.06517	14.3
121.10201	2.7
122.03693	3.3
123.04430	4.4
123.08082	9.1
124.05206	2.7
128.06215	4.7
131.04970	4.9
131.08517	2.6
133.06487	10.1
133.10078	1.9
134.07231	1.8
135.04419	2.3
135.08052	16.1
136.05193	3.7
137.05974	26.7
139.07529	1.8
139.72516	2.4
143.08597	8.2
145.06442	4.2
145.10156	5.6
146.07280	6.7
147.04388	13.5
147.08012	4.4
148.05101	2.0
149.05997	3.8
149.13309	2.2
150.06750	5.9
151.03923	6.0
151.07535	86.6
152.07851	3.3
153.05466	2.7
158.07239	2.2
159.08095	2.1
159.11655	2.1
161.06009	2.7
162.06747	5.8
163.07555	37.7
165.05493	7.1
165.09116	14.8
166.06276	6.7
167.07039	33.9
171.08064	16.2
173.05995	1.7
173.09662	2.8
175.07524	2.1
177.09068	4.9
178.09892	45.2
179.07027	100.0
179.10516	3.9
180.07449	3.8
181.05064	2.3
181.08594	53.0
182.08896	2.4
187.07549	2.1
188.08347	10.6
191.10693	2.1
193.08641	14.8
194.09349	3.1
195.10204	3.5
201.09099	3.9
203.10658	38.5
205.08623	24.6
205.10519	2.7
219.10201	5.3
233.11699	2.1
261.22205	2.3
265.11487	2.1
279.23001	4.7
281.08102	3.1
293.22369	2.3
297.14484	2.1
309.07352	2.2
324.09787	1.9
339.12277	2.9
341.10251	2.8
342.10770	2.0
357.13138	14.3
357.17087	10.9
357.24072	2.8
358.17349	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	11.3
55.05505	26.0
55.29731	4.2
57.03424	6.0
57.07055	6.7
58.13250	4.5
65.03925	5.8
67.05495	76.5
69.07059	45.7
71.04983	9.1
71.32594	5.6
79.05487	74.3
81.07051	100.0
83.04966	8.3
83.08611	15.4
85.06532	7.4
91.05457	36.8
93.07029	67.8
94.07421	6.0
95.04975	11.3
95.08597	86.2
97.06517	20.3
97.10155	9.6
103.05442	8.0
105.07025	53.6
107.08577	57.4
109.06519	6.5
109.10144	39.6
111.08069	8.1
112.17805	4.9
117.07014	13.2
119.04887	5.1
119.08569	42.5
121.06536	8.8
121.10121	39.1
123.08062	32.7
123.11662	23.3
125.09597	6.7
127.64205	5.4
129.06950	8.9
131.08560	18.5
133.10143	24.7
135.08060	13.4
135.11673	29.9
137.05922	23.2
137.09639	15.3
137.13220	12.8
139.11177	13.6
143.08594	9.8
145.06393	6.5
145.10135	14.3
147.11668	14.8
149.09637	8.5
149.13226	13.3
151.03915	24.9
151.07547	17.4
153.09113	17.1
153.12810	8.8
157.10152	8.2
159.11668	12.1
161.13222	11.0
163.11139	8.7
163.14798	13.0
165.05482	18.8
165.09152	5.4
171.11649	7.8
173.13303	8.1
175.14876	11.2
185.13165	6.4
188.14049	4.9
189.12714	7.6
199.14764	8.7
204.06604	5.7
217.19583	4.6
231.21065	7.5
234.32092	5.5
241.19476	27.5
259.20612	14.2
277.21640	31.5
301.55124	5.0
307.09729	6.4
321.20609	9.6
339.21628	47.1
357.13144	15.5
357.23636	13.7
375.25430	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	357.227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	9.0
55.05498	25.2
67.05503	44.1
69.07050	22.6
69.80633	34.8
78.60500	7.8
79.05495	23.8
81.07042	38.1
83.04996	14.8
83.08603	20.7
85.02909	7.3
85.11450	7.5
91.05453	54.2
93.07048	51.9
95.04922	7.7
95.08619	53.9
97.06516	14.3
97.10172	21.7
101.02383	8.6
105.07024	25.4
107.08582	32.1
109.06494	8.4
109.10145	40.6
110.10361	6.2
111.08058	7.9
119.08591	100.0
120.08907	10.8
121.10140	17.7
123.08064	17.4
124.57890	7.7
125.09617	12.9
129.07033	7.0
131.08563	9.0
131.47986	7.2
133.10104	43.3
135.08110	9.7
135.11649	10.1
137.05968	13.0
137.09604	93.7
147.08044	16.3
149.09546	9.4
150.15654	6.9
151.11159	24.2
153.09084	20.0
155.10637	22.7
157.10144	8.8
159.11658	8.7
161.09648	8.1
161.13258	8.1
165.09010	10.4
169.10146	8.1
169.12271	9.3
187.07285	7.9
189.11317	13.1
201.11156	77.0
203.12740	7.2
211.07524	8.0
215.12802	17.8
227.07013	10.9
239.06993	9.1
239.10551	10.3
240.11394	7.4
241.08469	8.0
242.09288	11.3
245.29153	7.1
255.10150	20.9
269.11310	8.6
270.12442	10.5
271.13126	10.1
273.11069	11.9
284.10385	13.8
285.11313	17.1
293.11816	8.1
298.15338	8.6
299.12787	11.3
300.13358	8.5
301.14273	34.0
308.89175	7.4
326.14746	10.1
341.34824	8.7
357.13174	10.3
357.16925	66.7
357.22882	26.6
357.27618	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	357.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36290	1.4
55.05511	20.1
57.07070	4.9
59.04998	4.6
61.05301	1.3
67.05503	14.3
69.07073	15.0
69.23386	3.2
69.23789	9.3
71.04996	11.0
73.06567	7.6
75.26682	1.3
79.05485	16.2
81.07057	60.3
83.08620	21.1
85.06544	4.3
87.04481	1.5
91.05493	8.4
92.27418	1.2
93.07066	10.0
95.05019	1.4
95.08608	60.1
97.06516	3.8
97.10159	12.8
98.22570	2.6
99.08101	2.5
105.07031	13.6
107.04948	1.8
107.08598	17.9
109.10145	4.0
119.08600	6.2
121.10142	10.9
123.11736	4.4
129.09102	2.7
131.08577	1.8
133.10130	2.4
135.11717	1.7
137.13243	29.0
139.11176	6.8
145.10115	2.2
147.11679	19.4
151.03888	5.9
155.14291	4.9
157.12292	2.4
159.11647	1.4
165.05487	4.8
165.12776	4.3
183.13818	4.3
189.09225	2.7
201.14854	100.0
202.15193	5.7
203.12759	3.7
224.39854	1.7
293.24899	1.6
303.23059	2.8
321.24225	4.2
339.25241	4.5
357.17017	3.3
357.24207	3.0
357.27969	3.4
358.33096	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00280	0.8
53.03946	2.2
54.58991	0.7
55.01861	2.6
55.05510	9.3
56.05843	0.8
57.03432	3.2
57.07074	9.4
59.99922	0.8
67.05161	1.3
67.05503	19.7
68.77821	0.8
69.03418	2.2
69.07066	16.6
69.10659	7.9
69.62101	0.9
70.06599	8.7
70.07388	1.4
71.01335	2.2
71.04965	2.8
71.06933	1.0
71.08620	3.6
79.05493	29.9
81.07055	21.9
83.04980	5.5
83.08614	4.3
85.06519	1.2
88.07631	11.7
89.02397	3.0
89.07965	1.4
91.05477	7.8
93.07043	35.9
94.07409	0.9
95.04961	2.9
95.08602	13.8
97.06545	5.3
97.10162	2.4
98.22589	1.7
99.04427	1.4
102.09171	3.0
105.07030	5.5
106.08657	6.5
107.04921	6.3
107.08581	12.2
107.85571	0.8
109.06537	1.4
109.10160	3.4
111.04456	1.1
111.11704	7.8
115.03947	1.2
117.06979	4.1
117.58068	0.8
119.08579	11.2
121.06494	3.5
121.10139	67.2
122.10449	3.0
123.08084	1.2
125.05989	4.2
127.07539	1.1
129.06995	1.8
131.04869	1.4
131.08528	6.4
133.10118	2.2
135.08049	1.5
135.11688	16.5
139.07523	2.8
139.11176	23.3
145.10118	16.3
147.08046	1.3
147.11761	1.0
149.05931	1.3
149.09622	6.7
151.03923	1.6
155.08549	1.4
161.09491	0.8
163.11176	29.5
165.05502	1.9
165.09059	0.9
167.10635	1.7
173.09618	4.2
181.12218	10.8
185.11731	12.9
185.13266	1.0
191.10680	6.9
196.79297	0.8
201.21173	0.8
203.12863	1.1
209.11719	2.2
219.10214	1.3
227.12759	27.8
228.13174	1.9
237.11211	1.4
245.13844	100.0
246.14226	5.5
311.09360	1.0
323.09436	1.1
324.09943	2.2
327.08640	7.0
339.19553	3.2
339.34479	3.0
341.10141	1.3
342.10782	2.9
356.35284	1.1
357.13382	11.0
357.20502	10.0
357.28082	1.9
357.35529	53.5
358.13632	2.2
358.36777	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	357.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.9
55.01862	1.7
55.05254	2.1
55.05509	40.1
56.05844	2.2
57.03443	8.9
57.06811	1.6
57.07072	24.0
67.05500	43.4
67.05858	2.5
68.87276	1.2
69.03409	1.5
69.07068	54.5
69.60030	4.9
70.06599	11.0
70.07385	3.6
71.04983	2.6
71.06913	2.2
71.08627	14.6
75.04443	1.5
79.05490	28.0
79.50547	1.2
81.07053	44.2
82.07378	1.6
83.04972	2.1
83.08616	40.6
84.08952	2.2
85.06528	1.7
85.10176	6.5
88.07634	16.0
89.07942	3.4
91.05462	5.0
93.07044	37.5
95.08606	48.6
96.08875	1.6
97.05951	1.6
97.06532	16.0
97.10164	23.3
102.09164	3.2
103.03925	3.3
105.07014	2.9
106.08673	7.8
107.04942	2.0
107.08577	26.7
108.08921	1.4
109.10152	25.5
111.08092	7.6
111.11735	8.2
111.33039	1.3
112.78342	1.3
113.09625	1.4
115.05534	1.5
119.08553	2.2
121.10142	43.6
122.10513	1.8
123.11700	10.4
125.09624	4.9
125.13250	2.1
129.05431	2.1
131.08589	1.6
133.10075	2.2
135.11681	36.4
136.12018	1.7
137.13237	5.4
138.03069	1.9
139.11157	4.6
145.10138	1.6
147.11699	1.5
149.13246	15.8
151.14774	5.5
153.05460	14.9
153.12782	3.5
161.06036	1.5
163.14832	7.6
165.16368	4.4
167.07039	3.1
167.14348	1.8
177.16354	3.4
187.13339	1.5
191.17900	2.1
195.17253	2.1
205.19444	4.2
217.05005	6.3
223.20558	1.8
247.24205	31.1
248.24593	2.6
265.25238	27.3
266.25751	1.4
283.26205	2.8
285.07449	1.9
287.22238	2.2
288.25604	1.3
294.40085	1.2
301.23709	2.9
309.01248	1.5
335.20297	1.4
339.08694	1.6
339.29013	16.2
339.34454	5.3
340.28983	2.1
357.09622	2.3
357.26321	5.2
357.35529	100.0
358.36191	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	357.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	3.7
55.05511	66.9
57.03437	14.4
57.07074	39.1
67.05152	4.0
67.05504	72.0
69.03437	4.2
69.07066	96.1
69.32858	22.6
70.06586	23.7
71.05002	2.6
71.06920	5.3
71.08630	30.9
79.05493	49.7
81.07053	82.6
83.04962	3.4
83.08619	59.5
85.06499	3.8
85.10190	16.2
88.07635	25.8
89.07992	3.4
91.05467	9.0
93.07040	60.1
93.73272	2.6
95.08607	75.8
96.08947	4.0
97.06506	25.7
97.10168	37.2
102.09140	7.1
105.07009	5.4
106.08656	12.6
107.08587	46.2
109.06480	3.1
109.10162	37.6
111.08057	11.4
111.11732	14.5
113.09665	3.9
114.79003	2.7
119.08580	7.8
121.09262	3.7
121.10137	74.6
122.10430	3.8
123.11699	19.3
125.09616	8.0
125.13302	4.9
127.11184	3.4
131.08527	4.4
133.10110	3.5
135.10745	5.4
135.11693	59.6
137.05981	14.2
137.13292	4.0
139.11116	6.7
144.30836	2.7
145.10098	3.3
147.11726	3.4
149.13249	25.4
151.14772	9.7
153.05463	10.0
153.12743	6.7
159.11684	4.1
163.14758	10.9
165.16356	6.7
173.13239	3.5
177.16414	6.9
191.17941	3.3
205.19370	3.7
217.04977	3.0
227.06952	2.7
247.24202	60.0
248.24571	4.4
250.06337	3.2
251.06906	4.9
262.39572	3.4
265.25287	49.5
266.25577	7.3
283.26187	4.2
339.28995	36.2
339.34344	7.1
340.35614	5.8
349.29587	3.0
357.09567	10.5
357.27811	6.1
357.35519	100.0
358.36758	87.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81938	0.3
53.03931	0.3
55.01865	1.0
55.05503	0.6
59.92420	0.3
66.91357	0.3
67.05486	1.0
69.03431	0.4
69.07048	0.6
69.15514	3.1
71.04977	0.4
71.08640	0.3
77.69762	0.3
78.40823	0.3
79.05490	3.8
79.73643	0.3
81.07050	12.5
83.01366	0.4
85.06550	1.2
87.04453	2.0
91.05474	6.2
93.07029	0.8
95.08612	1.0
103.05454	1.0
105.07025	0.5
106.03489	0.3
107.08575	0.6
109.06510	7.4
111.55751	0.3
115.05463	0.8
117.06959	0.4
118.06513	1.3
119.08587	0.5
127.07535	3.2
129.06984	0.4
130.06519	3.9
132.08086	4.9
135.08015	0.5
137.05991	0.4
144.08086	1.0
145.06477	0.5
146.06007	2.1
154.06548	1.0
172.07536	1.3
188.07053	2.6
200.07050	100.0
201.07379	5.4
206.81305	0.4
212.07045	0.5
212.10660	0.4
226.08601	0.5
226.12192	0.3
228.10233	0.3
232.09703	0.9
238.08537	0.6
239.45886	0.3
242.01112	0.5
254.11729	4.1
258.95935	0.3
267.25891	0.3
270.65125	0.4
280.13354	1.7
298.14441	3.2
308.12753	1.2
322.27289	0.7
326.13840	15.5
327.14142	2.2
340.28339	1.1
358.20508	0.5
358.29288	1.0
359.21765	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89318	0.3
60.05648	24.4
67.27173	0.3
69.98003	0.3
69.98333	1.5
70.06589	43.4
71.04987	0.4
71.06928	1.2
72.08154	2.2
74.73161	0.3
86.09801	0.3
97.07677	0.5
104.10734	3.9
112.08730	3.0
113.07150	0.4
114.10310	0.5
115.08684	0.7
116.07088	18.2
117.07439	0.5
130.09764	9.0
157.10855	1.6
158.09245	6.7
171.23532	0.4
175.11896	100.0
176.12285	3.7
184.06407	1.4
272.85602	0.3
341.10434	0.4
358.17438	1.5
359.01346	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63331	0.3
53.09541	0.3
55.05497	0.7
56.80079	0.3
57.07074	7.0
58.06577	1.2
62.06067	0.4
62.46427	0.3
65.41627	0.3
69.07063	0.5
69.33879	2.2
70.06590	12.9
71.06892	0.3
71.08626	2.7
81.07043	0.4
85.10172	1.8
88.07625	15.9
89.07919	0.3
95.08604	0.3
102.09174	4.6
106.07961	0.6
106.08662	8.9
118.40021	0.3
119.08569	0.3
121.10143	0.4
133.10193	0.4
250.82959	0.3
279.33762	0.3
282.46170	0.3
296.32968	0.6
314.34216	0.9
340.35715	5.8
341.35938	0.7
358.36761	100.0
359.37091	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	358.9986
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	15.7
57.24331	7.6
69.21842	35.7
69.22266	25.3
71.37223	6.5
73.43173	7.4
79.28667	7.5
98.97579	97.4
116.98606	48.9
119.01923	20.4
134.99672	16.4
151.09018	6.5
177.00952	30.6
179.00696	8.9
192.98721	14.3
213.34993	8.7
214.95564	7.3
216.98711	59.2
219.02011	22.0
220.01956	10.1
221.01784	17.5
228.39369	7.8
232.96535	23.5
234.99826	80.2
236.99866	6.7
250.93887	16.4
250.97546	14.7
256.96564	40.6
258.99786	39.7
259.99911	8.0
261.00110	13.0
261.03067	48.9
262.03061	21.6
263.02835	65.2
264.02951	10.8
265.02832	9.3
268.95102	17.7
268.98685	6.8
274.97681	48.3
277.00894	31.1
279.98151	12.2
282.99942	25.8
284.99683	33.6
286.59970	7.3
286.99329	9.1
292.95102	30.0
293.95593	16.1
298.97739	53.2
301.01013	15.7
303.00842	38.0
307.93622	11.6
310.96106	15.7
316.95010	94.7
316.98798	100.0
317.95126	13.6
317.98792	15.8
334.96149	82.6
335.96213	17.1
340.98828	43.4
358.96188	15.6
358.99805	91.4
359.03574	16.2
376.97275	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	359.0757
Annotation	3,7-Dihydroxy-5,6-dimethoxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
50.61262	0.3
62.26378	0.3
67.05509	0.4
69.07054	0.3
69.62444	0.7
69.62852	0.7
70.58147	0.3
73.27424	0.3
73.63618	0.2
81.07048	0.9
93.07025	0.3
95.08605	0.7
105.07009	0.7
117.06990	0.4
123.08070	1.0
128.06271	0.3
129.07037	0.3
129.16646	0.3
133.10094	0.4
137.05962	0.5
139.05452	0.4
141.06940	0.4
151.07492	0.5
155.04933	1.3
157.06497	1.1
161.05994	0.4
169.06573	0.4
171.04384	0.8
173.05968	0.5
183.04382	1.4
185.05977	0.9
189.05362	0.4
197.05885	0.4
198.03154	0.5
199.03839	1.6
200.04645	0.4
201.05453	0.9
202.02536	0.6
211.03760	1.5
212.04588	0.4
213.01843	0.5
213.05402	2.1
214.02635	0.4
217.04938	1.2
226.02618	1.5
226.06216	0.6
227.03326	2.0
229.04973	1.7
229.75111	0.3
230.02083	0.7
239.03412	0.6
241.01312	2.8
241.04881	1.4
242.01985	0.9
243.02817	0.7
244.03587	0.5
245.04440	2.1
253.01598	0.3
254.02129	0.6
255.02823	2.1
256.03552	0.5
257.04428	3.0
258.01614	0.6
258.05084	0.3
259.02353	0.5
267.02866	0.9
268.00082	0.4
269.00754	2.9
269.03769	0.4
270.01581	4.0
270.04465	0.4
271.02359	1.8
271.05896	0.5
273.03955	4.2
283.02344	1.8
284.03235	2.0
285.00751	0.5
285.03891	8.8
286.01050	9.1
287.01633	1.0
297.00220	1.1
297.03546	0.4
298.00900	0.5
298.04413	0.5
299.01852	1.1
299.05466	3.6
300.02603	2.4
300.06192	1.3
301.03375	7.7
302.03973	0.6
303.05023	1.2
311.01822	0.6
312.02576	0.6
313.03397	10.2
314.00455	0.4
314.03873	0.7
315.01450	0.5
315.04822	2.7
316.05527	0.5
326.04224	1.4
327.04623	0.6
328.02292	0.8
328.05728	17.7
329.02866	15.7
329.06137	1.2
330.03387	2.1
343.04388	5.8
344.05219	28.5
345.05600	1.7
359.07565	100.0
360.07916	7.8
382.30771	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0768
Annotation	Linderoflavone A
Peak:m/z	Relative Intensity
55.05513	0.5
60.04516	0.5
65.78426	0.5
67.05492	1.0
69.03481	1.1
69.03922	5.2
70.06587	0.8
79.05479	2.1
81.03424	0.9
81.07059	0.9
83.04955	0.9
91.05473	2.4
93.07030	1.6
95.04965	1.8
95.08572	0.8
98.23354	1.0
103.05449	0.8
105.07008	1.6
107.04970	1.2
107.08582	1.0
109.02883	0.8
117.07027	0.8
119.04939	1.4
119.08575	1.2
121.06439	1.3
123.04410	3.3
126.98293	0.7
133.06516	0.7
135.08038	0.6
137.05969	2.7
143.08548	0.6
144.99290	3.7
145.10133	0.9
147.04399	2.2
149.05998	0.9
151.07628	1.0
155.07045	1.4
161.05974	1.1
163.07492	1.8
165.05415	1.4
173.05946	1.5
175.07552	1.1
179.06964	4.2
190.08617	2.0
191.07008	10.1
193.08328	7.3
197.07979	0.6
203.06900	0.7
207.06276	7.3
208.09666	12.8
221.15390	0.9
225.05640	0.6
237.07301	2.7
238.08044	3.8
239.08932	3.7
244.99249	0.6
286.31622	0.6
297.07562	0.7
313.07028	1.6
323.14801	0.7
325.10788	0.7
359.07681	100.0
360.07983	6.6
360.14398	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	359.1123
Annotation	3'-Hydroxy-7,8,4',5'-tetramethoxyflavone
Peak:m/z	Relative Intensity
69.17818	1.9
77.37202	0.2
79.05486	0.3
87.86774	0.3
91.05492	0.4
93.03416	0.4
93.07051	0.3
107.04980	0.3
119.08645	0.3
121.02855	0.7
124.05228	0.8
131.08534	0.2
135.04395	0.8
137.05977	0.5
139.68559	0.3
144.24411	0.3
148.58858	0.2
151.03893	4.1
151.05048	0.3
163.03926	0.7
164.04634	0.3
165.05515	0.6
167.03427	0.7
179.03351	0.7
181.04951	1.1
185.05998	0.3
199.07449	0.4
215.06984	0.8
217.08621	1.0
226.06207	0.3
227.07010	1.7
229.04958	0.4
230.05782	0.8
239.06966	0.3
241.04857	0.4
243.06540	1.9
244.07268	0.3
245.08060	4.1
255.06509	2.4
257.04712	0.3
257.08026	0.3
258.05301	1.3
269.08218	0.3
271.06021	2.0
272.06796	1.0
273.07581	8.3
274.07898	0.3
282.05173	0.4
283.06042	3.4
284.06348	0.5
285.07565	0.8
286.04715	1.1
295.05963	0.6
297.04144	0.4
297.07605	0.6
298.04904	0.5
298.08328	0.5
299.05536	2.4
300.06232	4.0
301.07065	12.7
301.67468	0.3
302.07291	0.6
311.05524	2.1
312.06186	0.3
313.07101	1.4
314.04239	0.9
314.07797	1.5
315.04858	0.5
315.08612	10.5
316.09094	1.3
325.06931	0.7
326.03952	0.4
326.07831	8.1
327.08224	0.9
328.05719	2.7
329.06522	22.0
330.06830	2.0
341.17773	0.3
343.01917	0.4
343.08115	16.9
344.08871	42.7
345.09201	2.7
346.06854	1.9
359.11218	100.0
360.11591	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	359.1125
Annotation	3'-Hydroxy-7,8,4',5'-tetramethoxyflavone
Peak:m/z	Relative Intensity
55.01879	0.4
55.05514	0.6
55.83660	0.3
64.41776	0.4
67.29116	0.3
69.07052	0.4
69.16674	3.4
75.52092	0.4
79.05483	0.5
91.05457	0.9
95.05025	0.4
95.08616	0.4
101.22314	0.4
107.04919	0.6
107.08539	0.5
121.10152	0.6
131.08566	0.9
137.06041	0.5
139.11209	0.4
151.03896	3.0
151.04941	0.5
151.07532	1.0
152.07896	0.5
159.08064	1.2
162.06862	0.5
165.05498	0.5
179.10423	0.7
181.04970	1.6
185.06090	0.6
187.07364	0.5
189.09128	0.7
189.11261	0.4
191.93622	0.4
203.12758	0.7
213.05524	0.6
217.08585	2.2
219.10153	0.7
230.05846	2.5
231.06541	0.5
241.05034	0.4
245.08105	10.2
246.08470	0.8
257.08203	0.5
258.05185	3.0
259.05984	0.6
269.04456	0.4
270.09061	0.5
273.07571	21.3
274.07947	1.4
283.06235	0.5
285.07712	0.7
286.04758	1.3
299.09219	0.6
301.07050	23.3
302.07401	1.3
313.07062	1.2
314.04263	1.8
315.08612	1.8
316.09485	0.7
326.07440	0.6
327.08746	1.0
328.05615	1.0
329.06546	37.8
330.06940	2.5
341.17322	0.5
343.08105	3.7
344.08896	58.0
345.09293	4.8
359.11230	100.0
360.11548	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	359.1125
Annotation	porphyrin-5,10,15-triol
Peak:m/z	Relative Intensity
53.03933	0.6
55.01879	2.1
55.05511	1.3
65.03939	9.4
67.05498	2.7
67.06973	0.4
67.87872	0.4
69.03442	1.0
69.07063	0.9
69.53511	2.7
71.04979	0.7
73.02901	0.7
77.04031	0.4
77.95623	0.4
79.05497	2.5
81.03407	0.6
81.07047	2.2
83.01321	2.3
83.04950	0.6
83.08613	0.7
91.05485	2.7
93.03394	5.3
93.07051	2.0
95.04974	2.5
95.08606	1.7
98.23269	0.9
100.93385	0.4
103.05460	1.4
105.03391	0.6
105.07021	1.4
107.04951	1.6
107.08631	1.0
109.02887	0.8
109.06544	1.1
109.10134	1.2
111.04416	0.6
111.08099	0.5
117.07018	0.5
119.04979	0.6
119.08588	0.9
121.06522	1.1
121.10142	0.7
123.04427	2.5
123.08077	0.5
125.06033	0.9
127.03955	0.5
129.07014	0.7
131.04912	0.6
131.08661	0.6
133.02837	0.6
133.06485	6.7
133.10092	0.6
135.04416	10.1
135.08028	1.0
137.02327	2.4
137.05951	3.4
139.07541	0.5
141.01823	1.9
143.08495	0.5
145.06538	0.8
145.10124	0.7
147.04420	1.0
147.08083	0.6
149.06003	1.4
151.03911	14.8
151.04988	1.2
151.07587	2.2
152.04274	0.7
153.05467	3.4
153.09109	1.5
155.03351	0.7
159.04443	0.6
159.08040	0.5
159.11658	0.7
161.02351	0.7
161.05984	2.7
163.03957	1.0
163.07581	0.7
164.08327	0.5
165.05551	0.6
165.07042	0.6
165.09027	0.8
167.03416	0.5
167.07031	2.3
169.04964	0.5
175.07581	0.6
178.09987	0.7
179.03395	32.7
180.03699	1.2
181.04993	0.8
187.07445	0.8
189.09032	1.0
191.03455	1.2
195.06558	1.6
197.04446	7.9
197.06200	0.5
205.08528	0.9
207.02913	0.7
207.10152	1.2
209.04446	4.3
227.07091	0.5
235.09641	1.2
237.09076	0.5
243.06575	0.6
249.18419	0.5
253.08632	0.6
254.57509	0.4
255.06520	0.7
257.12106	0.5
259.09552	0.5
267.10129	0.4
268.07266	2.3
269.08081	1.3
270.08664	0.7
279.10034	0.6
281.07935	0.6
293.08066	9.6
294.08533	0.9
295.09677	1.8
296.06760	2.1
297.07639	4.4
298.08371	4.0
299.09146	0.7
299.12671	1.0
309.07507	0.8
311.09131	52.8
312.09473	4.0
313.07074	1.0
313.10544	1.0
313.14148	0.8
325.06982	1.5
326.07758	3.3
327.12234	0.5
341.10196	100.0
342.10513	8.9
359.07394	0.6
359.11182	1.8
359.15054	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1124
Annotation	3'-Hydroxy-7,8,4',5'-tetramethoxyflavone
Peak:m/z	Relative Intensity
51.73586	0.2
53.03960	0.2
55.01877	0.3
55.05518	0.3
57.40798	0.2
60.77198	0.2
67.05517	0.7
68.05805	0.2
69.03465	0.3
69.07077	0.2
69.54382	0.6
69.54788	0.6
71.05000	0.2
79.05502	1.1
81.03416	0.4
81.07071	0.8
85.02924	0.4
85.06564	0.2
85.48042	0.2
87.86759	0.2
91.05472	1.1
93.07053	0.6
95.04988	0.5
95.08619	0.7
98.23304	0.4
103.05506	0.2
104.88578	0.3
105.07057	0.7
107.04949	1.4
107.08606	0.9
109.02943	0.2
109.10186	0.6
110.03656	0.3
111.04449	0.3
115.05475	0.3
117.07018	0.3
119.04948	0.4
119.08617	0.7
121.06522	0.6
121.10166	0.5
122.03682	0.2
123.11662	0.3
125.06034	0.5
128.06320	0.2
129.06992	0.5
131.04932	0.4
131.08585	0.5
133.06570	0.2
133.10114	0.5
135.04404	2.3
135.08037	0.2
135.11761	0.2
137.05978	3.5
137.09647	0.4
138.03096	0.5
143.08554	0.3
147.04451	0.5
147.08028	0.3
149.05992	0.6
150.06743	2.9
151.03899	5.0
151.04890	0.3
151.07541	0.9
151.11223	0.3
152.04265	0.4
153.01854	0.7
157.06529	0.3
159.08083	0.4
161.02426	0.2
161.05962	0.4
163.03888	0.6
163.07599	0.4
165.05522	0.5
167.03404	1.1
175.03952	0.3
175.07561	0.5
176.04623	0.2
177.05473	0.3
179.03394	0.2
181.01320	0.3
181.04980	0.4
187.13275	0.2
189.09117	0.3
191.03436	0.6
191.07057	0.4
192.04187	0.3
193.01358	0.4
193.04958	0.8
193.08618	0.2
195.02888	5.8
195.06601	0.5
196.03191	0.3
199.07671	0.4
203.03441	0.3
203.06979	0.2
203.10770	0.3
207.02933	0.7
207.08345	0.2
207.10211	0.7
209.08109	0.2
217.08582	0.4
219.10196	0.4
227.07088	0.8
229.04964	0.4
235.09625	1.6
239.07062	0.2
239.10690	0.3
243.06595	0.5
245.08180	1.0
253.12157	0.3
255.06534	1.0
259.09720	0.3
268.07568	0.3
269.08060	0.6
270.08911	0.3
271.06021	0.4
273.07559	3.1
281.11636	0.6
283.06036	1.0
284.06635	0.3
297.07571	1.1
298.08325	1.3
299.05493	0.8
299.09183	0.4
299.12820	0.9
299.16095	0.2
300.06335	1.6
301.07010	5.2
312.06323	0.3
313.07034	0.5
313.14331	0.3
314.07919	0.4
315.05130	0.4
315.08514	1.2
316.09393	15.5
317.09793	1.4
325.07080	0.3
326.07825	0.6
327.08655	0.9
328.05756	3.9
329.06409	0.8
330.07330	1.6
335.96680	0.2
341.06555	0.5
341.10181	0.4
341.17450	0.7
343.03918	0.5
343.08130	13.1
344.08884	38.4
345.09232	3.1
359.11221	100.0
360.11588	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	359.1123
Annotation	Cimiracemate A
Peak:m/z	Relative Intensity
53.03944	1.6
55.01865	1.3
55.05513	1.5
57.03417	0.9
61.68891	0.5
65.03937	5.8
66.04741	0.9
67.05499	11.7
68.99794	0.7
69.03425	0.8
69.07052	1.6
71.33147	1.0
71.39890	0.6
77.03888	0.8
79.05493	6.5
81.07058	3.2
83.04973	0.9
85.06461	0.8
91.05473	11.1
92.02609	0.8
93.03400	5.2
93.07025	2.7
94.04185	3.6
95.04967	7.5
95.08631	1.6
103.05453	4.4
105.04504	1.0
105.07021	15.7
107.04942	8.3
107.08563	1.7
108.05726	2.9
109.02856	1.5
109.06507	2.7
109.10167	1.6
110.03687	1.4
111.04439	6.0
111.08136	0.8
115.05414	1.7
117.07011	2.7
119.04945	3.2
119.08540	1.8
121.06509	3.8
121.10159	0.9
122.03635	5.4
123.04440	1.0
123.08047	1.1
124.05196	5.0
125.05980	8.6
128.06219	1.5
129.07014	1.0
131.04933	2.3
131.08502	1.2
132.05693	0.7
133.06491	11.4
133.10130	0.8
135.04411	7.0
135.08034	2.4
136.05193	6.6
137.05968	76.3
138.06819	4.3
139.07530	15.8
141.05391	1.1
143.08563	4.5
145.06499	3.7
146.07236	0.9
147.04405	2.8
147.08038	2.4
148.08844	2.6
149.02371	0.6
149.05971	7.8
150.06703	3.0
151.03911	44.4
151.07529	100.0
152.04240	3.0
152.07854	2.8
153.05466	15.9
153.09081	1.9
155.07069	1.1
157.06473	1.0
157.10179	0.7
158.07344	0.8
159.08029	1.9
160.08826	1.3
161.05917	3.8
161.09602	1.8
162.06752	3.8
163.03873	6.2
163.07515	3.4
164.08337	6.1
165.05472	18.7
165.06796	1.0
165.09106	28.9
166.05708	1.0
167.03445	0.7
167.07043	13.5
167.08418	0.7
168.04160	1.5
169.06528	0.8
171.08032	5.5
171.10194	3.1
173.06010	0.7
174.06602	0.7
174.10371	1.3
175.07556	2.0
176.08334	2.1
177.05455	0.7
177.09134	2.7
178.09894	1.3
179.07079	2.0
179.10657	29.5
181.04958	8.0
181.06454	1.1
181.08572	1.5
181.64124	0.7
182.05278	0.6
186.10405	1.4
187.07539	2.7
188.08372	5.2
189.09067	1.9
191.07057	0.9
191.10608	3.3
193.04907	1.4
193.08574	1.4
195.06483	1.8
195.08136	0.7
195.10114	1.5
202.09909	5.3
203.10658	13.6
205.12213	3.2
207.10202	2.9
217.08684	0.8
217.12201	11.3
218.12581	1.1
219.10147	0.9
221.11710	31.9
222.12106	1.7
227.07045	1.4
229.12317	1.0
235.09572	1.8
235.13280	25.7
236.13553	1.1
255.06479	2.7
255.10074	0.8
259.09634	1.5
260.09683	0.7
268.07367	4.7
269.08026	2.0
273.11224	0.7
283.05963	2.3
283.09567	1.5
296.06750	14.8
297.07465	7.7
298.08368	8.9
299.08975	1.8
299.12396	1.2
299.83963	0.8
309.14777	1.5
311.09109	29.5
312.09567	1.9
325.06985	2.5
326.07846	13.1
327.08289	2.2
327.12076	0.9
341.10172	97.2
341.17261	3.4
342.10483	8.2
359.11200	1.6
359.14688	3.3
359.18478	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1489
Annotation	(-)-Dehydrodiconiferyl Alcohol
Peak:m/z	Relative Intensity
53.03947	1.8
55.01863	4.5
55.05498	4.0
57.03431	1.7
65.03943	10.5
67.05508	9.4
69.03423	3.4
69.07074	3.8
70.15127	1.3
71.31618	2.1
71.32018	1.3
72.90944	1.2
79.05499	7.9
81.03412	3.2
81.07066	8.7
82.04215	1.6
83.08627	3.8
85.02914	3.6
85.06547	2.0
90.89730	1.3
91.05481	10.7
93.03387	4.1
93.07059	7.2
95.04964	6.9
95.08605	8.8
97.02917	1.6
97.06549	2.2
97.10152	1.4
103.05460	5.9
105.07009	9.4
107.04971	10.2
107.08598	3.6
108.02093	2.8
108.05238	1.2
109.02838	2.7
109.06522	2.3
109.10136	6.3
110.03638	5.5
111.04466	6.9
115.05463	4.1
117.07006	2.4
119.04945	3.1
119.08578	3.1
121.02868	27.3
121.06518	5.7
121.10169	3.7
122.03738	1.4
123.04427	5.1
123.08064	3.0
125.06001	11.3
127.03890	3.1
128.06219	2.2
129.07011	3.2
131.04953	4.8
131.08568	3.4
133.02844	2.8
133.06465	4.5
133.10130	4.2
135.04431	4.8
135.08055	4.9
135.11687	2.4
137.05980	11.5
137.09650	1.6
139.03882	1.8
141.07034	1.8
143.08546	2.2
144.05714	3.6
145.06493	3.8
145.10121	2.4
147.04436	5.6
147.08064	3.7
149.02350	6.1
149.06000	4.0
150.06766	2.8
151.03905	55.3
151.05037	5.1
151.07524	9.1
152.04257	2.6
152.06259	3.9
153.05479	15.7
153.06953	4.8
154.07649	1.9
155.03432	2.5
155.08574	1.7
157.06511	3.3
157.10126	2.1
159.04463	2.6
159.08069	8.7
159.11690	2.6
161.05975	14.6
161.09607	4.3
162.06717	4.9
163.07510	4.9
164.08272	2.1
165.05493	4.1
165.07033	7.6
165.09119	2.5
166.07796	2.6
167.03392	3.3
167.07048	8.7
167.08554	6.8
168.05734	1.7
169.04962	4.7
169.06471	4.1
169.10147	1.7
173.05972	2.0
173.09570	1.7
174.06735	2.3
175.03906	1.6
175.07574	4.3
177.05560	2.8
177.07005	2.4
178.07822	5.8
178.09303	1.3
179.07091	3.1
179.08571	4.5
181.04955	18.8
181.06528	9.7
182.05766	1.4
182.07281	8.4
183.08090	4.8
185.05885	1.9
189.05515	2.6
189.09177	2.7
190.07806	1.8
191.08530	2.1
191.10654	1.6
193.08583	1.9
193.10164	2.0
194.07213	6.3
195.06480	3.4
195.08099	12.5
196.08784	2.9
197.05991	10.1
197.09634	4.5
198.06697	2.1
199.07590	3.5
201.05473	3.4
201.08987	1.5
202.07950	2.5
203.06940	2.9
203.08690	1.7
205.06563	3.4
205.12413	1.7
206.07321	3.5
207.08076	5.7
207.09888	1.6
208.08873	2.6
209.06027	6.0
209.09622	4.0
210.06789	13.7
210.10353	2.0
211.07545	11.2
212.04623	1.6
212.08310	6.2
213.09056	3.3
217.08623	2.2
217.12270	3.0
219.08101	3.4
220.08810	2.9
221.06061	3.3
221.09666	10.1
222.06725	4.4
222.10336	4.2
223.07503	17.3
223.11124	3.0
224.08316	6.4
225.05495	4.0
225.09113	10.6
226.06380	2.3
227.06981	11.6
227.10724	3.7
229.08615	1.5
234.06834	3.7
235.07547	4.3
235.09541	2.4
236.08263	2.9
237.05472	4.3
237.09050	9.8
238.06273	6.8
238.09842	10.1
239.06992	15.1
239.10683	5.8
240.07803	32.4
241.08548	8.3
242.05719	3.0
244.10815	1.7
249.09105	8.0
250.09756	3.1
251.06992	8.9
251.10609	2.4
252.07838	6.8
253.08635	59.2
253.12248	17.1
254.05977	1.9
254.09282	13.7
254.12355	1.7
255.06575	8.3
255.10161	17.1
256.07269	2.4
257.07965	8.5
257.11829	1.8
263.07004	3.4
265.08533	7.8
266.09329	9.0
267.06540	3.9
267.10138	7.3
268.07391	9.0
268.10220	2.0
269.08063	17.6
269.11395	2.3
270.08722	7.1
271.09375	1.9
271.13504	2.6
277.08566	2.5
278.09274	1.6
279.06467	2.0
280.07407	1.8
280.10968	1.8
281.08151	11.3
281.11758	16.6
282.08807	4.1
282.12091	2.7
283.06430	2.2
283.09619	20.8
284.10324	9.8
285.08029	1.8
285.11267	7.3
285.14630	3.0
294.08893	1.8
295.09674	5.7
297.07501	4.4
297.11258	4.2
298.08368	8.0
298.12018	6.4
299.09125	8.8
299.12790	23.2
300.09949	12.9
300.13000	3.1
301.10535	1.9
309.11179	13.7
310.11899	5.2
313.10690	60.7
313.14371	39.0
314.11075	3.8
314.14755	3.8
323.09042	1.8
326.11499	5.7
327.12250	100.0
328.12820	11.1
331.15302	17.5
341.06747	2.9
341.10138	5.0
341.13776	33.9
342.14297	2.6
359.11368	4.2
359.14899	77.9
359.19464	2.6
360.15155	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	359.1488
Annotation	Dehydrodiconiferyl alcohol
Peak:m/z	Relative Intensity
53.03933	1.0
55.01865	1.9
55.05502	1.3
59.57526	0.5
65.03955	0.9
67.05495	1.8
67.05820	0.5
69.03419	1.3
69.05850	2.3
69.06274	2.6
69.07049	1.1
79.05486	4.5
81.03455	0.6
81.07069	2.4
83.04964	0.6
91.05480	7.3
93.03396	1.0
93.07041	2.5
94.04198	0.7
95.04979	2.5
95.08611	2.0
96.49371	0.5
97.06484	0.9
103.05461	3.6
105.03394	0.5
105.07024	6.9
107.04951	5.0
107.08597	2.0
108.05735	1.0
109.02885	1.5
109.06498	1.3
109.10146	0.9
111.04401	0.7
115.05461	6.6
117.07008	3.0
117.07700	0.5
119.04926	1.6
119.08566	1.8
121.02852	1.2
121.06503	7.7
121.10165	1.4
122.03596	0.6
123.04434	2.5
123.08077	0.9
123.11704	0.7
124.05196	0.8
125.05990	1.4
128.06200	1.3
129.06982	4.0
131.04938	3.8
131.08591	0.8
132.05719	0.6
133.06490	6.8
133.10110	1.1
135.04413	3.2
135.08012	1.6
135.94386	0.5
136.05203	4.8
137.05986	4.7
138.06703	0.7
139.03920	0.6
139.07545	1.1
143.04929	1.9
143.08571	0.8
144.05711	0.5
145.06479	1.9
145.10094	0.8
146.07272	6.8
147.04410	1.9
147.08009	1.5
147.11708	0.5
149.02473	0.6
149.05974	4.2
149.09610	0.8
150.06729	1.0
151.03899	6.2
151.07535	25.3
152.07903	1.3
153.05464	1.9
155.07100	0.8
157.06448	2.8
159.07988	0.8
160.05211	0.8
161.05975	100.0
162.06371	5.0
162.07837	0.5
163.03908	1.0
163.07529	4.6
164.08261	1.2
165.05479	13.0
165.06799	0.7
165.09088	3.7
167.03401	2.2
167.07057	1.8
167.08418	0.8
169.06448	0.7
173.06053	0.7
174.06746	1.1
175.07536	16.9
176.07834	0.8
177.05536	5.5
177.09094	7.8
178.07780	0.6
178.08353	0.5
178.09892	5.8
179.03299	1.0
179.07022	1.0
179.08571	0.9
179.10272	0.6
181.04941	1.4
181.06410	0.8
183.07986	0.7
185.05980	1.9
187.07596	0.7
187.11180	0.7
189.09132	1.7
191.06921	0.9
195.06509	3.7
195.08124	1.5
196.08803	0.6
197.05981	1.0
197.09653	1.0
203.07033	42.1
204.07321	2.4
205.08597	0.8
207.10226	1.7
209.05898	0.6
210.10326	0.8
211.07507	0.9
212.08418	0.6
217.08601	1.4
221.07951	3.9
221.09891	0.7
222.06659	0.5
223.07549	2.0
224.08398	1.2
225.09099	0.9
227.06989	1.0
235.07491	1.2
235.09558	1.1
237.09087	1.0
238.09947	1.1
239.06992	0.7
239.10626	1.2
240.07724	1.6
241.08556	1.2
245.08057	1.4
247.07582	0.6
249.09087	2.0
250.09778	0.9
251.06989	1.5
252.07755	0.8
253.08549	2.6
253.12306	1.7
255.06493	1.8
257.08148	0.6
258.05325	1.5
265.08649	0.7
266.09341	1.1
267.10110	1.9
268.10880	0.7
269.08026	1.2
270.08954	0.8
271.09634	0.8
272.06757	0.6
273.07590	1.9
274.09912	1.9
277.08588	0.9
277.12064	1.1
281.08374	0.7
281.11661	5.7
283.06027	1.9
283.09518	1.2
284.10364	1.9
285.07584	0.9
285.11035	1.0
286.04694	0.9
291.10077	1.0
295.09744	1.2
295.13171	0.8
297.11328	0.9
298.04822	1.1
298.08109	0.7
299.05508	1.0
299.09299	0.9
299.12689	8.0
300.06293	0.6
300.09650	0.9
300.13156	0.7
301.07086	11.2
302.07437	0.8
305.11801	4.6
306.12204	0.8
309.10974	2.4
313.07153	1.0
313.10681	2.8
313.14267	4.1
314.04169	0.5
314.14755	0.7
315.08603	1.4
317.10229	0.7
323.12759	5.8
327.12323	3.5
328.05521	0.8
329.06485	10.6
330.06848	0.9
331.15399	1.2
341.06888	1.0
341.13828	27.5
342.14160	2.3
343.08173	3.5
344.08868	20.2
344.12955	1.2
345.09317	1.9
359.11188	35.3
359.14972	12.2
359.19849	1.2
360.11496	3.5
360.15045	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1487
Annotation	Negundin B
Peak:m/z	Relative Intensity
51.15798	0.8
53.03933	1.4
55.01865	2.2
65.03936	9.3
65.51036	0.9
67.05489	1.5
69.03431	0.9
71.06071	1.3
79.05492	1.5
82.04192	1.9
85.02912	1.0
86.78132	0.9
91.05458	4.1
93.03383	2.6
95.01315	1.7
95.04959	1.7
97.06548	1.0
107.04935	6.9
109.06496	1.2
110.03683	5.4
111.04437	4.6
115.05441	1.8
116.06229	1.1
117.07010	2.3
121.02860	25.7
121.03786	2.0
121.06450	2.4
123.04372	0.9
124.87437	0.9
125.05971	8.6
126.60518	1.1
129.06895	2.3
131.04907	2.6
131.08582	1.6
133.02882	1.1
135.04431	1.2
135.08052	4.0
137.05952	2.4
141.06934	1.3
144.05685	3.2
145.06473	3.7
147.04347	2.1
147.08005	1.4
149.02351	7.2
149.05998	1.9
151.03896	4.0
151.07559	1.5
152.06210	3.9
153.05455	10.6
153.06947	3.0
154.07732	1.2
159.08083	5.4
161.05942	3.5
161.09595	4.4
162.06731	3.3
163.07495	0.9
165.05725	1.4
165.06969	8.8
166.07733	2.8
167.07016	5.6
167.08548	4.4
168.05675	1.2
169.06421	5.6
171.08025	1.3
174.06740	1.0
177.07010	3.3
178.07782	7.8
179.08549	4.0
180.05716	1.0
181.04950	15.4
181.06497	8.3
181.10107	1.1
182.05283	1.4
182.07274	7.6
183.08092	5.4
184.05190	1.4
184.08763	2.4
185.09616	1.2
187.07602	1.3
188.08322	1.4
189.06921	1.0
190.07742	1.8
191.08475	2.2
192.09210	1.0
193.06468	2.3
193.10101	2.5
194.07306	6.4
195.08047	15.2
196.05183	1.4
196.08742	1.6
197.06006	9.0
197.09654	3.8
198.06641	2.6
199.07475	2.9
201.09152	1.0
202.07697	2.5
203.08591	2.3
205.06523	2.9
205.10234	1.2
206.07260	3.8
207.08058	4.7
208.08762	2.9
209.05969	4.3
209.09592	4.1
210.06758	15.4
210.10332	3.1
211.07527	12.1
212.08321	7.8
213.09070	3.0
219.08014	2.6
220.08807	2.3
221.06003	3.2
221.09595	12.5
222.06754	6.4
222.10365	4.0
223.07561	17.7
223.11086	3.4
224.08310	7.1
225.05513	5.0
225.09067	14.1
226.06123	2.1
226.09770	1.6
227.07030	11.2
227.10507	4.5
231.08113	1.2
234.06744	3.4
235.07515	4.5
235.11148	1.5
236.08220	1.5
237.05403	2.9
237.09076	12.5
238.06207	11.2
238.09854	11.6
239.07011	11.4
239.10669	3.5
240.07780	39.2
241.08495	7.9
242.05792	1.7
248.08321	2.2
249.09044	6.6
250.09782	3.4
251.06984	9.0
251.10660	2.5
252.07774	8.0
252.10194	1.0
252.11365	1.3
253.08589	62.4
253.12213	14.9
254.05635	1.6
254.09219	11.1
254.12164	1.5
255.06496	8.2
255.10158	14.2
256.07272	1.3
257.08038	7.4
263.06931	1.5
263.10748	1.9
265.08521	8.3
266.06299	2.0
266.09357	9.7
267.06531	4.3
267.10144	9.4
268.07336	11.2
269.08078	16.6
269.11279	1.5
270.08783	7.2
270.12064	1.1
270.24179	1.1
271.09610	1.7
271.13254	3.9
272.10483	1.2
277.08673	3.9
279.06500	1.1
280.07428	1.5
280.10495	1.3
281.08084	14.3
281.11707	14.4
282.08859	4.0
282.12277	2.5
283.06061	4.5
283.09622	22.3
284.10345	12.4
285.07568	3.9
285.11154	5.6
285.14850	3.5
294.08862	2.0
295.09634	4.0
297.07568	4.0
297.11237	3.8
298.08273	7.1
298.11975	5.7
299.09384	1.5
299.12729	24.4
300.09863	13.7
300.12991	2.1
301.10455	3.3
303.15887	1.8
309.11191	14.5
310.11823	3.9
311.08926	1.7
312.09729	1.1
313.10648	61.4
313.14319	34.9
314.11032	6.2
314.14713	3.0
325.10507	1.2
326.11389	4.7
327.12219	100.0
328.12711	14.7
331.15353	15.2
332.15686	2.2
341.13803	28.9
342.14197	3.2
359.14850	72.5
360.15268	8.7
368.75638	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1486
Annotation	Prestegane B
Peak:m/z	Relative Intensity
50.08031	0.2
51.02382	0.3
53.03952	0.3
55.01857	0.4
55.05505	1.1
56.28621	0.2
60.31108	0.2
65.03928	0.7
66.04734	0.4
67.05495	0.6
69.07061	0.3
69.77805	0.9
74.89471	0.2
79.05493	1.2
81.03396	0.4
81.07037	0.8
85.06557	0.3
91.05473	2.2
93.07037	0.4
94.04176	3.2
95.04958	0.5
95.08598	0.2
98.23219	0.3
100.11179	0.2
103.05455	5.6
105.03472	0.3
105.07007	0.8
107.04956	1.6
107.08550	0.4
109.06502	0.5
110.71306	0.2
111.04404	0.3
113.42948	0.2
115.05416	0.4
117.07000	0.6
119.04942	0.9
121.02881	0.2
121.06507	1.1
122.03643	8.1
123.04425	0.5
125.05995	0.6
127.07592	0.4
128.94354	0.2
129.06990	0.8
131.04918	11.5
132.05299	0.2
133.02829	0.3
133.06468	0.4
135.04405	0.6
135.08018	0.3
136.05174	0.3
137.05968	100.0
138.06306	3.3
145.06473	1.1
146.03601	0.4
147.04414	0.9
147.08025	0.3
148.05113	0.3
149.05956	1.9
150.06645	0.2
151.03920	2.0
151.07547	1.9
153.05473	1.2
157.06487	0.7
159.07980	0.2
160.05217	0.5
161.05984	1.4
163.03880	0.4
163.07520	5.7
163.74844	0.2
164.08087	0.3
165.05470	1.7
165.06882	0.3
165.09135	0.3
167.07047	1.1
174.06775	0.5
175.07542	1.8
177.05415	1.1
177.09106	0.3
178.06229	0.5
179.07050	1.3
181.04947	0.5
181.06360	0.2
187.07526	0.3
189.09154	1.0
191.07008	0.9
193.10066	0.3
194.07257	0.3
195.08089	0.5
202.06126	0.3
202.07759	0.4
203.08537	1.3
205.08484	1.2
206.07095	0.3
207.10051	0.3
210.06773	0.4
211.07401	0.4
217.08554	0.7
219.07999	0.3
220.08835	0.5
221.09596	0.8
223.07492	0.6
223.09668	1.2
224.08286	0.3
225.09056	0.3
227.06958	0.3
227.63115	0.2
228.13788	0.4
231.08043	1.8
232.08691	0.3
235.09547	0.3
237.09050	0.5
237.14328	0.7
238.06230	0.2
239.07004	0.3
240.07729	0.5
245.09587	0.4
246.15013	0.2
247.07471	0.4
248.08321	0.8
249.09042	0.9
253.08559	0.8
254.09407	0.3
255.10121	0.4
257.08093	0.3
259.07443	1.0
260.08255	0.6
263.10678	2.9
265.08484	0.2
266.09177	0.4
267.06454	0.3
267.10175	0.3
268.07062	0.3
269.08124	0.5
276.07861	0.5
278.18253	0.3
281.11731	0.6
283.09604	0.5
283.12460	0.2
285.10983	0.2
291.10101	5.4
292.10577	0.7
295.09729	0.5
295.13278	0.7
297.07883	0.2
299.12643	0.4
300.09717	0.3
300.70203	0.3
305.11749	1.9
306.11813	0.3
309.11102	0.8
313.10611	1.3
313.14255	0.7
323.12769	3.9
323.21454	0.4
327.08777	0.3
327.12140	1.6
328.12598	0.3
329.13754	0.2
332.21649	0.4
341.13788	4.1
341.22150	1.1
342.14191	0.4
350.22766	1.6
350.72952	0.3
359.11133	0.4
359.14771	3.6
359.23257	10.8
359.73431	3.2
360.15546	0.9
360.23697	0.4
374.17639	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1488
Annotation	4,6,4'-Trihydroxy-2,3'-dimethoxy-3-prenylbenzophenone
Peak:m/z	Relative Intensity
50.28469	0.3
53.03949	0.6
55.01878	0.5
55.05515	0.7
65.03933	0.7
67.05508	1.7
68.88876	0.3
69.07073	0.5
69.25231	2.1
79.05502	0.4
81.07061	0.4
83.04991	0.6
83.08640	0.4
85.02912	0.4
91.05476	1.4
93.07047	0.6
95.04942	0.4
95.08624	0.7
96.09272	0.3
97.06520	0.5
98.23400	0.4
104.61133	0.3
105.07018	1.0
107.04957	0.5
107.08631	0.4
108.02085	1.2
109.06544	0.5
109.10132	0.4
111.04442	0.7
119.08546	0.5
125.06014	0.5
125.09647	0.5
129.06981	1.6
131.04877	0.4
131.08583	0.9
133.10117	0.5
136.01527	0.5
137.06010	2.3
137.09634	0.3
137.91078	0.3
141.05470	1.5
143.07027	0.3
146.19597	0.3
147.04382	1.2
147.08060	0.9
151.03902	100.0
151.04961	6.3
152.04221	3.3
153.09160	0.3
157.06467	1.6
159.08028	1.7
159.11673	0.3
165.06996	0.4
174.06802	0.7
175.07516	0.9
176.08301	0.7
179.10681	1.7
185.06067	0.3
189.09184	1.6
198.27769	0.3
200.07053	2.1
202.06334	0.7
207.10167	0.5
217.08646	2.4
232.44208	0.4
235.09639	50.2
236.10001	3.1
266.09833	0.3
281.11618	0.3
283.09549	0.6
284.10736	0.4
286.11908	0.4
298.12024	0.5
306.77673	0.4
326.11475	0.4
327.12231	0.4
341.13852	0.5
359.11160	0.4
359.14868	4.8
359.21790	0.6
360.15176	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1486
Annotation	2',4',5,7-Tetramethoxy-8-methylflavanone
Peak:m/z	Relative Intensity
51.80014	3.1
52.62151	3.3
53.03939	2.9
55.01860	5.3
55.05482	4.3
57.03431	4.1
61.87244	3.5
64.11572	3.4
65.03938	10.6
66.37250	3.0
67.05500	9.0
69.12045	15.1
69.12473	13.6
79.05489	8.3
81.07041	7.6
83.06678	3.4
83.08608	4.6
87.04482	3.2
91.05480	12.9
91.69347	3.0
93.07058	4.4
95.04967	7.3
95.08614	4.9
98.22544	4.8
103.05442	8.9
105.07053	16.1
107.04967	16.0
108.02043	4.7
109.02884	3.3
110.03677	6.5
111.04436	8.4
112.55142	4.2
115.05450	3.3
117.07001	4.3
119.04942	9.5
121.02859	9.8
121.06503	10.9
123.04416	3.3
123.08094	4.1
125.05978	35.1
128.34230	3.2
129.07013	10.1
131.04955	8.6
131.08577	3.5
133.06479	15.8
135.04407	5.3
135.08067	4.4
137.02359	5.3
137.05952	43.3
138.40108	3.2
141.05461	3.2
143.08595	4.0
147.04399	10.0
149.05963	7.4
151.03888	100.0
151.04968	7.5
151.07510	13.7
153.05476	6.7
157.06467	8.9
159.08073	4.7
161.05975	18.3
163.03937	5.3
163.07576	10.1
165.05461	14.5
165.06946	10.3
165.09109	15.0
167.07024	37.3
167.08350	5.7
174.06764	4.9
175.07507	7.1
177.05495	7.0
177.06955	4.3
178.06161	4.4
178.07721	6.6
179.07030	6.2
181.04933	12.3
181.06473	10.5
182.07239	5.0
184.05132	4.5
187.07494	6.4
189.09090	7.7
191.07021	12.0
192.86771	3.5
193.08598	6.8
193.10196	3.7
194.07353	6.1
194.09375	22.3
195.06493	68.6
195.08099	10.8
196.06859	4.4
197.05956	5.1
203.06778	3.4
205.04840	3.5
205.08661	9.4
206.07288	7.3
207.08073	4.8
210.06790	10.7
211.07556	7.1
212.04691	5.5
212.08380	5.9
217.08617	13.2
219.08018	4.1
220.08820	4.1
221.06041	5.5
221.09709	3.9
222.06731	6.6
223.07513	10.3
224.08220	6.8
225.05411	4.2
225.09094	11.9
226.06065	3.4
227.07053	10.1
235.07457	5.8
237.05424	5.0
237.09119	8.5
238.06241	7.1
238.09782	6.6
239.06960	7.4
240.07811	11.9
241.08640	4.1
249.09132	8.0
251.07010	7.6
252.07817	6.3
253.08578	28.0
253.12273	9.9
254.09291	6.4
255.10114	5.8
257.07944	4.7
259.09589	34.6
265.08591	10.3
266.09271	7.7
267.10175	10.1
268.07352	6.1
269.08066	8.4
270.08737	4.4
277.08401	5.0
281.08102	12.1
281.11523	5.9
283.09641	16.6
284.06943	3.4
284.10385	9.8
285.11176	10.3
291.09811	4.0
295.09671	4.7
297.07654	6.0
298.08441	5.2
298.12018	5.3
299.09201	3.5
299.12689	12.2
300.09808	5.0
309.11118	14.0
311.09161	3.5
311.12671	6.1
313.10638	29.9
313.14297	29.0
314.14783	6.9
315.12125	5.0
326.11411	4.2
327.12225	45.9
328.12732	6.2
331.15359	11.6
341.13797	31.1
359.11115	24.0
359.14865	50.3
359.22717	9.1
359.73730	5.1
360.11066	4.5
360.15091	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	359.149
Annotation	2',4',5,7-Tetramethoxy-8-methylflavanone
Peak:m/z	Relative Intensity
52.10580	2.9
53.03955	3.5
64.96385	2.6
67.05497	6.5
69.03414	3.6
69.07063	4.1
69.64098	13.0
79.05517	6.0
81.07069	11.8
91.05499	10.7
93.07024	4.3
94.03654	2.8
95.04967	4.5
95.08603	9.5
98.23239	4.6
103.05480	4.3
105.07023	11.4
107.04955	7.9
107.08603	8.5
109.10162	5.0
111.04440	3.9
115.85956	3.4
119.04964	3.9
119.08598	3.4
119.86102	2.5
121.06519	6.9
121.10133	3.5
121.77162	2.7
123.08058	5.6
125.05994	24.1
129.07004	10.6
131.08574	5.3
133.06483	6.4
137.05988	17.6
145.06479	3.3
147.04416	8.0
149.05940	4.7
151.03912	100.0
151.05013	10.7
151.07518	16.5
152.04277	8.7
153.05569	3.6
155.10645	3.8
157.06479	6.0
161.05980	6.7
163.07547	7.3
165.05467	8.7
165.09106	11.3
167.07077	18.6
169.01277	3.2
174.06737	4.5
175.07523	6.4
177.87990	2.7
178.10037	2.8
179.07025	6.8
189.09071	15.6
193.08618	5.7
195.06535	46.4
195.08173	5.7
207.10185	6.6
212.04784	2.8
217.08649	13.5
227.07199	3.3
227.10625	3.3
229.04874	9.5
235.09491	4.4
245.71249	3.4
254.09273	3.3
259.09674	50.4
268.07416	3.6
283.09607	4.2
288.44333	3.1
309.11340	4.5
311.09213	6.2
313.14313	9.5
323.52542	3.8
326.11478	9.2
341.10461	6.1
341.13852	14.0
359.11185	13.2
359.14944	11.5
359.18637	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	359.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.4
55.01869	0.5
55.05506	0.4
55.98283	0.2
63.02376	0.2
65.03929	1.2
65.30772	0.2
65.81467	0.2
67.05505	1.3
69.07071	0.2
69.98096	0.8
71.01364	0.3
79.05485	0.5
81.07055	0.2
81.67549	0.2
83.04973	0.4
84.02136	0.2
91.05495	1.1
93.03424	0.4
93.07053	0.4
94.04195	0.2
95.04995	1.0
95.08637	0.2
103.05452	0.4
105.07027	1.1
107.04955	0.6
107.08624	0.2
108.02097	1.5
109.06518	0.2
111.04446	0.5
112.01609	0.2
115.05493	0.2
117.07008	0.3
119.04948	0.4
119.08569	0.3
121.03963	0.3
121.06515	0.5
122.03644	0.3
123.04412	0.4
124.05187	0.5
125.06004	0.6
129.07014	1.9
131.04916	0.5
131.08569	0.7
133.06514	0.7
135.52582	0.2
136.01572	0.5
136.05142	0.4
137.05975	6.4
139.07559	0.8
141.05460	1.7
143.08572	0.4
144.05724	0.2
144.76010	0.2
145.06499	0.4
147.04408	0.9
147.08061	0.7
149.05980	0.6
150.80470	0.2
151.03909	100.0
151.04982	6.8
151.07497	7.9
152.04256	3.4
152.07857	0.2
153.04417	0.3
153.05414	1.1
157.06479	1.6
159.04427	0.2
159.08035	1.7
161.05936	0.3
162.06737	0.2
163.07591	0.2
164.08293	0.4
165.05547	1.3
165.06732	0.3
165.09113	2.1
167.07018	0.7
169.92290	0.2
171.08067	0.3
174.06735	0.7
175.07539	1.0
176.08289	0.5
177.09128	0.3
179.07115	0.4
179.10666	3.4
187.07681	0.2
188.08255	0.3
189.09117	1.6
191.10646	0.6
195.07889	0.2
202.06209	0.4
202.09911	0.6
203.07014	0.4
203.10692	1.1
207.10121	0.7
217.08572	2.1
217.12201	0.8
221.11691	1.9
235.09648	47.1
235.13400	1.8
236.10005	2.6
248.08374	0.2
251.07141	0.3
253.12227	0.3
279.06314	0.2
281.11691	0.4
283.09561	0.9
286.11948	0.4
296.06650	0.4
298.08377	0.2
299.12628	0.2
311.09131	1.3
319.14511	0.2
326.07785	0.6
326.11435	0.4
341.10205	3.4
341.13864	0.4
341.17303	0.2
342.10532	0.3
359.11179	0.4
359.14941	3.4
360.15088	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.4
69.03426	0.8
69.07088	0.4
69.20409	3.1
70.06580	1.5
71.05008	0.4
72.08143	0.5
73.02876	0.4
74.32963	0.4
81.07069	0.7
83.04933	0.5
85.02896	1.2
86.09688	1.0
91.05462	0.9
95.04997	0.5
105.07053	0.5
107.35177	0.4
109.02889	0.6
112.05420	0.4
123.04431	1.4
127.03909	0.6
131.04921	0.8
135.04419	0.7
137.05969	1.6
147.04381	0.8
163.03928	0.7
163.07486	0.5
165.05652	0.4
179.07118	0.6
191.06976	2.6
197.07925	0.6
201.03568	0.4
202.51105	0.4
203.05328	1.0
208.09740	2.6
301.12619	1.9
309.07495	0.5
316.93375	0.4
342.22726	0.4
354.04971	0.5
359.12952	10.2
359.16782	100.0
360.17346	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	359.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.4
69.03426	0.8
69.07088	0.4
69.20409	3.1
70.06580	1.5
71.05008	0.4
72.08143	0.5
73.02876	0.4
74.32963	0.4
81.07069	0.7
83.04933	0.5
85.02896	1.2
86.09688	1.0
91.05462	0.9
95.04997	0.5
105.07053	0.5
107.35177	0.4
109.02889	0.6
112.05420	0.4
123.04431	1.4
127.03909	0.6
131.04921	0.8
135.04419	0.7
137.05969	1.6
147.04381	0.8
163.03928	0.7
163.07486	0.5
165.05652	0.4
179.07118	0.6
191.06976	2.6
197.07925	0.6
201.03568	0.4
202.51105	0.4
203.05328	1.0
208.09740	2.6
301.12619	1.9
309.07495	0.5
316.93375	0.4
342.22726	0.4
354.04971	0.5
359.12952	10.2
359.16782	100.0
360.17346	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	359.1697
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
55.01858	0.7
55.05504	0.7
61.02927	1.1
65.08940	0.6
67.05489	0.7
69.03416	3.6
69.07005	0.7
69.57076	3.7
71.04944	0.7
73.02895	0.7
79.05481	3.6
81.03411	1.4
81.07043	2.5
85.02905	9.3
91.05467	6.4
93.07027	5.8
95.04941	1.3
95.08572	2.4
97.02861	2.0
105.07021	7.3
107.04921	1.3
107.08584	34.7
108.08905	0.9
109.02899	1.1
109.06505	1.2
109.10128	1.8
119.04904	1.6
119.08562	4.7
121.06500	0.9
121.10133	6.1
123.04421	1.2
123.08037	1.2
123.11693	1.2
127.03897	1.5
131.04948	0.9
131.08539	1.0
132.05675	0.7
133.06473	1.0
133.09155	1.3
133.10118	19.8
134.10457	0.7
135.08049	0.9
137.05946	5.4
139.07533	1.3
143.08487	0.7
145.04974	1.1
145.06398	0.7
146.07326	0.8
147.04396	1.2
149.05922	1.1
149.09610	3.3
151.03862	1.8
151.07480	2.1
151.11177	8.0
152.11491	0.7
153.05464	1.4
161.05971	2.2
161.09596	6.3
163.07466	1.0
165.05402	0.8
167.07137	0.7
167.10651	12.2
167.11986	1.1
175.11111	0.6
179.07033	1.8
179.10660	16.6
180.10965	1.1
181.04884	0.7
181.08673	0.7
191.06911	0.8
193.08612	1.1
194.09360	1.6
197.11714	100.0
198.12068	5.2
200.07086	1.6
203.14169	0.7
205.08539	1.3
232.66008	0.7
341.13870	1.1
359.14883	0.7
360.18381	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.17
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.3
55.01866	2.1
55.05518	1.4
55.65404	1.1
57.03432	3.1
61.02928	3.6
65.03931	0.9
67.05504	2.4
69.03418	6.9
69.07072	1.2
69.95813	3.1
70.14912	0.8
71.04991	1.0
73.02905	2.1
79.05494	3.9
81.03421	4.0
81.07050	3.3
83.04973	1.9
85.02905	31.3
86.09705	1.7
87.04481	1.1
91.03953	1.3
91.05464	8.2
93.07046	9.1
95.04976	4.5
95.08604	2.3
97.02880	9.4
97.06549	1.0
99.04480	1.3
103.05476	1.2
105.07025	8.2
107.04955	2.6
107.08584	20.1
109.02892	3.5
109.06516	1.4
109.10149	2.7
114.00960	0.9
115.05459	1.4
117.07064	1.3
119.04922	1.4
119.08534	4.8
121.02877	3.8
121.06514	2.7
121.10136	1.0
122.03661	0.9
123.04448	2.9
123.07999	0.9
123.11706	2.3
125.06010	1.7
127.03903	5.4
129.07079	1.1
131.04979	1.2
131.08565	1.1
133.02878	1.0
133.10118	24.5
134.10442	1.2
135.04440	1.1
135.08075	1.1
135.11694	21.9
136.12007	1.6
137.05978	7.9
137.09570	1.7
139.03902	1.2
143.04974	1.3
145.04968	4.1
147.04399	1.1
147.08060	2.3
149.05957	2.0
151.03899	1.8
151.07562	1.5
151.11145	1.0
153.05461	1.7
158.72180	1.1
161.05945	1.5
161.08369	1.4
161.09613	12.1
163.07471	1.2
165.05544	1.6
165.93236	0.8
167.07068	3.1
175.07518	4.4
177.05510	1.6
178.07828	1.5
179.10667	40.3
179.14270	1.3
180.10977	1.6
181.04958	1.3
187.07559	1.0
191.07008	2.9
195.06528	2.2
197.11723	100.0
198.12117	5.7
205.08702	1.1
207.10165	2.7
208.09731	3.1
221.09798	1.4
235.09615	1.1
249.09061	2.8
277.08728	1.5
281.11670	1.1
283.09827	1.0
299.09119	1.4
309.11188	2.1
326.11554	1.0
341.10168	1.2
341.13950	2.7
359.11304	1.8
359.16693	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.5
55.01857	0.9
55.05497	0.3
57.03411	0.9
57.07052	0.2
59.04992	0.2
59.75544	0.2
61.02924	1.7
67.05471	0.8
69.03429	5.1
69.15675	1.0
69.16100	1.1
69.20869	0.2
71.04993	1.2
73.02893	0.9
77.10238	0.2
79.05492	1.0
81.03427	1.7
81.07045	0.5
81.50883	0.2
83.01315	0.2
83.04951	0.4
85.02904	8.5
86.09682	0.3
87.04472	1.1
91.03912	0.4
91.05452	1.3
93.07035	0.4
95.04962	0.8
95.08584	0.3
96.59528	0.2
97.02895	3.5
97.06522	0.4
98.22627	0.5
99.04456	0.5
101.02372	0.3
103.05427	1.0
105.07015	0.9
107.04932	1.0
107.08550	0.6
109.02871	1.4
109.06471	0.3
109.10143	0.3
111.04442	0.3
111.08044	0.8
113.06001	1.7
115.03903	0.2
117.07014	0.4
119.04926	0.5
119.05800	0.2
119.08554	0.3
121.06519	0.4
123.04403	0.7
123.08037	0.2
127.03918	2.0
131.04904	0.7
131.08559	0.4
133.06497	0.4
133.10143	0.2
135.04427	0.6
135.08031	0.3
137.05966	2.0
138.06754	2.9
139.07527	0.4
145.04968	0.9
145.06441	0.3
145.10144	0.3
146.07237	0.7
147.04376	1.0
147.07999	0.3
149.05914	0.3
151.03888	0.6
151.07602	1.1
151.11159	1.1
152.08284	0.5
153.09100	27.5
154.09442	1.0
161.05969	0.6
162.06747	0.3
163.03879	0.9
163.07510	1.0
164.08260	1.0
165.05495	0.5
165.09099	1.6
166.09464	0.2
167.06999	0.9
177.05453	1.2
177.09106	0.7
178.09903	1.3
179.07024	0.5
179.10664	9.7
180.10948	0.5
189.05411	0.3
191.07008	0.4
194.09074	0.3
195.06511	0.5
195.10149	0.5
197.11723	100.0
198.12057	4.7
203.60710	0.2
207.10118	0.3
219.13487	0.2
222.97118	0.2
237.14909	0.4
239.12819	0.5
274.30206	0.2
315.12003	0.3
341.14020	0.9
359.16983	8.8
360.17215	0.4
377.01636	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.5
55.01857	0.9
55.05497	0.3
57.03411	0.9
57.07052	0.2
59.04992	0.2
59.75544	0.2
61.02924	1.7
67.05471	0.8
69.03429	5.1
69.15675	1.0
69.16100	1.1
69.20869	0.2
71.04993	1.2
73.02893	0.9
77.10238	0.2
79.05492	1.0
81.03427	1.7
81.07045	0.5
81.50883	0.2
83.01315	0.2
83.04951	0.4
85.02904	8.5
86.09682	0.3
87.04472	1.1
91.03912	0.4
91.05452	1.3
93.07035	0.4
95.04962	0.8
95.08584	0.3
96.59528	0.2
97.02895	3.5
97.06522	0.4
98.22627	0.5
99.04456	0.5
101.02372	0.3
103.05427	1.0
105.07015	0.9
107.04932	1.0
107.08550	0.6
109.02871	1.4
109.06471	0.3
109.10143	0.3
111.04442	0.3
111.08044	0.8
113.06001	1.7
115.03903	0.2
117.07014	0.4
119.04926	0.5
119.05800	0.2
119.08554	0.3
121.06519	0.4
123.04403	0.7
123.08037	0.2
127.03918	2.0
131.04904	0.7
131.08559	0.4
133.06497	0.4
133.10143	0.2
135.04427	0.6
135.08031	0.3
137.05966	2.0
138.06754	2.9
139.07527	0.4
145.04968	0.9
145.06441	0.3
145.10144	0.3
146.07237	0.7
147.04376	1.0
147.07999	0.3
149.05914	0.3
151.03888	0.6
151.07602	1.1
151.11159	1.1
152.08284	0.5
153.09100	27.5
154.09442	1.0
161.05969	0.6
162.06747	0.3
163.03879	0.9
163.07510	1.0
164.08260	1.0
165.05495	0.5
165.09099	1.6
166.09464	0.2
167.06999	0.9
177.05453	1.2
177.09106	0.7
178.09903	1.3
179.07024	0.5
179.10664	9.7
180.10948	0.5
189.05411	0.3
191.07008	0.4
194.09074	0.3
195.06511	0.5
195.10149	0.5
197.11723	100.0
198.12057	4.7
203.60710	0.2
207.10118	0.3
219.13487	0.2
222.97118	0.2
237.14909	0.4
239.12819	0.5
274.30206	0.2
315.12003	0.3
341.14020	0.9
359.16983	8.8
360.17215	0.4
377.01636	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.185
Annotation	Virolin
Peak:m/z	Relative Intensity
53.03938	0.7
65.03949	3.7
66.04720	0.8
67.05499	1.6
67.32718	0.8
69.07050	1.0
69.11921	6.3
79.05495	3.1
81.07037	1.2
91.05484	6.0
93.03391	5.3
94.04185	2.5
95.04982	1.6
103.05460	1.8
105.07027	14.6
107.04951	5.6
108.05727	3.2
109.06528	1.4
111.04435	5.1
115.05451	0.8
115.69824	0.7
117.06967	1.8
119.04930	3.7
121.06480	2.9
122.03636	5.9
123.08039	0.7
124.05228	4.1
125.05994	8.8
128.06171	0.8
131.04915	1.9
132.05701	1.3
133.06487	12.3
135.04402	3.5
135.08051	2.1
136.05174	5.8
137.05974	72.3
138.06792	3.5
139.07539	15.9
143.08545	2.5
145.06474	4.8
147.04428	1.0
147.08049	2.5
148.08842	1.3
149.05974	1.5
150.06770	2.3
151.03914	26.6
151.04959	2.1
151.07535	100.0
152.04221	1.1
152.07893	2.5
153.05475	14.9
155.07030	0.7
159.08064	1.6
160.08792	1.0
161.09616	1.2
162.06754	3.0
163.07559	1.4
164.08327	5.9
165.05472	17.5
165.06598	0.7
165.09120	29.3
166.05775	0.7
166.09453	1.5
167.07042	11.8
171.08072	5.3
172.08769	1.0
173.05933	0.8
174.10466	1.0
175.07541	1.0
176.08282	1.7
177.09085	2.4
179.10666	27.4
181.08594	1.5
186.10378	2.4
187.07594	1.6
188.08342	4.0
191.10693	3.1
192.70363	0.7
193.08630	0.7
195.10159	2.0
202.09863	6.1
203.10667	11.5
204.11101	1.1
205.12193	2.6
207.10178	0.9
207.13696	0.7
217.12239	11.2
218.12628	0.8
221.11723	33.6
222.12128	0.7
235.13274	26.2
236.13638	1.8
281.07819	1.0
295.09576	3.9
296.10352	0.8
309.07623	0.9
309.14847	0.9
310.08264	1.0
325.10654	7.9
341.17337	3.4
359.18390	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	359.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39613	0.9
55.05528	0.9
59.43742	0.9
62.93423	0.8
65.03934	2.9
79.05490	4.0
81.07052	1.8
91.05480	9.8
93.03403	2.6
93.07059	2.1
94.04196	1.1
95.04944	2.3
95.08637	0.9
97.06607	0.9
103.05457	2.6
105.07031	19.8
107.04954	5.7
107.08596	1.7
108.05738	1.8
109.02873	2.1
109.06504	2.0
111.04410	3.1
117.06969	2.4
119.04933	2.5
119.08607	1.7
120.55329	0.9
121.06499	2.9
121.10121	2.9
122.03627	4.1
124.05192	2.7
125.05996	4.8
129.06950	1.0
131.08592	1.8
132.05774	1.1
133.06494	15.5
133.10149	4.4
135.04398	1.5
135.08041	1.5
135.11682	1.0
135.19102	1.0
136.05171	7.5
137.05975	69.0
138.06805	4.7
139.07562	10.8
143.08574	3.6
145.06464	3.4
147.04405	1.3
147.08049	4.5
148.08830	2.4
149.05984	2.8
150.06772	1.6
151.03925	21.1
151.04990	2.4
151.07538	100.0
152.07916	3.6
153.05464	12.4
159.08023	4.3
162.06749	3.0
163.07547	2.3
164.08321	6.1
165.05460	7.9
165.09120	35.7
166.09441	1.6
167.07054	11.9
171.08057	3.4
172.08833	1.2
175.07610	1.6
176.08330	2.0
177.09084	3.3
179.10667	41.4
180.10982	1.9
181.08600	1.2
187.07536	1.4
188.08295	2.6
189.09082	1.2
191.10678	4.0
195.06546	1.5
195.10182	1.5
202.09914	4.2
203.07132	1.0
203.10678	10.2
204.07861	0.9
205.12236	2.6
207.10091	2.7
217.12221	9.4
219.10120	3.1
221.11717	27.0
222.12077	2.5
235.09581	1.1
235.13251	25.6
236.13657	1.3
309.14899	1.3
323.16254	1.5
323.31238	1.0
341.13870	1.3
341.17450	5.9
359.18484	3.6
359.22339	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.8
53.03938	1.0
55.01866	1.4
55.05488	1.7
56.85820	0.7
65.03939	5.6
67.05504	8.2
69.07052	1.1
71.32423	1.3
72.94385	0.6
73.80144	0.6
79.05489	6.3
80.60366	0.6
81.03410	0.8
81.07050	2.7
91.05476	10.0
93.03407	6.2
93.07043	1.8
94.04183	2.7
95.04975	4.9
95.08597	0.9
103.05463	2.8
104.06275	0.7
105.03399	0.9
105.04551	0.8
105.07030	16.6
106.04156	0.8
107.04951	7.6
107.08579	2.7
108.02049	1.7
108.05742	3.3
109.02862	1.4
109.06506	3.3
109.10141	1.3
111.04445	6.1
115.05479	1.7
117.07008	2.3
119.04927	3.6
119.08561	2.4
121.06492	4.1
121.10183	1.1
122.03664	5.4
123.04428	0.9
123.08073	0.8
124.05202	4.4
125.06016	7.6
128.06277	0.8
129.07024	0.9
131.04906	1.6
131.08586	1.0
132.05724	0.9
133.06500	12.9
133.10106	1.1
135.04440	5.8
135.08054	1.4
136.05190	7.3
137.05981	78.0
138.06657	3.6
139.07544	15.0
141.05428	1.5
143.08537	3.5
145.06519	3.5
145.10159	0.8
147.04398	2.6
147.08035	3.2
148.08829	1.7
149.05952	4.9
150.06732	3.2
151.03914	66.4
151.07539	100.0
152.04269	2.7
152.07855	3.9
153.04242	1.1
153.05466	15.8
153.09091	0.9
159.08049	3.1
160.08847	1.7
161.05998	2.0
161.09683	1.0
162.06773	3.8
163.03845	3.6
163.07526	3.7
164.08336	5.6
165.05490	19.8
165.06812	1.6
165.09116	29.4
166.09465	1.7
167.05748	1.2
167.07050	13.4
171.08069	5.8
171.10225	1.1
173.09636	0.9
174.06702	1.1
174.10397	1.2
175.07463	1.3
176.08325	2.5
177.09094	3.7
178.09874	1.5
179.07063	2.4
179.10672	26.6
180.11032	1.7
181.04976	4.0
181.08617	2.6
186.10403	2.1
187.07545	2.5
188.08331	5.3
189.09074	2.3
191.10713	2.8
193.05002	0.9
193.08644	1.3
195.06398	1.0
195.10139	2.2
197.06075	0.8
202.09880	5.8
203.10663	14.3
204.11044	1.0
205.12225	2.7
207.10191	1.9
217.08655	1.3
217.12247	12.7
221.11728	35.5
222.12109	1.7
223.07353	1.0
227.06918	1.5
235.09657	14.8
235.13298	30.9
236.10069	0.9
236.13618	1.9
253.08746	0.9
255.06618	1.1
268.07327	3.2
269.08145	1.4
283.06094	1.2
283.09531	1.4
296.06851	8.1
297.07541	4.2
298.08316	6.1
299.08981	1.4
299.12595	1.5
309.11377	0.7
309.14801	1.5
311.09088	16.4
312.09372	1.2
313.10620	1.5
313.14001	1.0
314.82443	0.7
326.07800	8.7
327.08359	1.6
327.12024	1.0
341.10208	58.0
341.17282	2.9
342.10587	6.6
344.08676	1.3
359.11115	3.5
359.14981	2.9
359.18637	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2062
Annotation	19-hydroxy-2,3-dinor-6-oxo-PGF1alpha
Peak:m/z	Relative Intensity
50.29449	0.6
51.86778	0.6
52.74294	0.6
53.03936	1.8
55.01867	3.1
55.05257	0.9
55.05508	10.8
56.96009	0.6
57.03423	1.4
61.27286	0.7
64.11593	0.6
65.03931	2.3
67.05165	0.9
67.05503	11.2
67.67249	0.7
69.03416	1.9
69.07068	11.7
71.04978	2.0
71.31989	1.3
79.05046	1.3
79.05490	20.9
81.03410	1.1
81.07056	8.2
83.04974	2.9
83.08615	6.1
85.02893	0.9
85.06543	2.9
87.04482	1.1
89.02418	0.7
90.53183	0.7
91.05479	11.2
92.05807	0.9
92.24223	0.7
93.03411	1.8
93.07042	17.8
95.04971	3.6
95.08588	5.3
97.02866	1.0
97.06525	2.8
97.10168	10.0
99.04446	1.3
103.05462	2.4
105.07029	7.6
105.98830	0.7
107.04947	7.7
107.08598	14.6
108.02090	0.9
109.02883	1.0
109.06518	2.0
109.10139	2.4
111.04436	3.7
111.08070	2.5
111.11692	1.4
115.05456	0.7
115.07565	8.1
117.06996	3.3
119.04945	2.3
119.08586	4.8
121.06503	2.0
121.10137	15.9
122.03646	1.4
122.10431	0.9
123.04398	0.9
123.08054	1.3
124.05171	1.3
125.05988	4.5
125.09626	8.6
128.06253	0.7
129.06956	3.4
131.04913	0.8
131.08571	2.5
133.06487	4.4
135.04385	1.6
135.08051	10.8
135.11670	4.0
136.01598	0.6
136.05191	2.0
137.02313	1.6
137.05969	20.1
138.06735	0.6
139.07556	3.6
139.11186	4.7
141.05446	1.8
143.08540	0.7
145.06445	1.5
145.10112	4.2
147.04424	2.7
147.08054	2.3
149.05927	1.8
149.09663	1.9
151.03903	100.0
151.04958	5.9
151.07516	21.9
152.04182	4.1
152.07828	1.1
153.05518	5.0
153.09091	13.3
154.09464	1.1
155.08617	1.0
157.06488	1.8
159.08063	1.4
161.05980	2.7
162.06664	0.8
163.07545	2.0
163.11177	6.0
164.08392	1.0
165.05481	4.6
165.09111	7.4
166.05829	1.1
167.03400	1.5
167.07021	2.5
168.14038	0.6
171.08041	1.1
171.10144	3.5
173.09624	1.3
174.06859	1.5
175.07529	2.1
176.08324	0.8
177.09172	1.2
178.09862	2.2
179.07080	1.5
179.10664	9.6
179.12138	1.2
181.04964	1.4
181.08539	1.6
181.12218	2.6
183.11717	0.7
185.11699	2.5
187.07541	0.9
189.09128	2.1
189.11223	8.9
191.07051	0.8
191.10677	2.4
193.08546	1.4
195.12044	0.6
199.07504	0.9
203.10669	2.3
207.06567	0.9
207.10184	2.7
209.11763	1.3
217.08662	2.4
217.12286	1.8
221.07982	1.0
221.11659	5.4
227.12752	11.0
228.13066	0.8
235.09642	41.3
235.13072	4.6
236.10023	2.2
239.10556	1.0
245.13840	24.6
246.14175	1.6
249.09026	0.8
269.07910	0.7
281.11896	1.0
283.09579	1.6
287.16516	1.6
296.06805	0.8
298.08585	1.4
299.12878	0.7
305.17532	1.9
311.09082	1.5
313.10886	1.0
313.14368	1.0
323.18527	4.7
326.07980	0.8
326.11450	1.2
341.10324	5.4
341.13971	1.6
341.19852	8.4
341.23837	1.1
342.10480	0.7
359.10977	3.0
359.14774	3.7
359.18539	1.2
359.22134	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2216
Annotation	XR 368
Peak:m/z	Relative Intensity
53.03942	0.8
55.01876	0.9
55.05508	8.9
55.50063	0.6
57.07079	1.4
67.05499	5.4
69.03428	1.5
69.07067	10.5
70.06593	1.1
71.04994	0.9
79.05505	3.8
81.07053	10.6
83.08620	3.6
88.07618	1.3
91.05476	4.5
93.07038	10.9
95.04977	1.6
95.08618	4.1
97.06534	0.9
105.07029	5.5
107.04944	0.7
107.08590	7.8
109.10155	8.2
113.06038	0.9
117.07014	1.3
119.04897	0.6
119.08585	4.8
121.06503	14.7
121.10119	3.2
122.06843	0.8
123.04433	1.2
123.08055	1.1
123.11703	3.1
129.06950	0.9
131.08595	2.6
133.06535	0.8
133.10135	6.6
135.08080	2.3
135.11696	6.1
137.05934	0.7
137.09607	3.8
139.07527	0.6
141.05498	0.7
143.08562	0.9
143.70137	0.7
145.10133	3.0
147.08043	3.3
147.11690	1.8
149.05994	1.3
149.09610	1.9
149.13255	1.1
151.07581	1.1
151.11139	1.2
155.08582	0.9
157.10158	1.9
159.08113	1.3
159.11693	1.8
161.05984	0.9
161.09616	1.4
163.07542	2.0
163.11234	1.5
165.09138	2.8
167.07013	1.4
169.10133	0.9
173.09634	2.2
175.07524	1.3
175.11189	1.5
175.14742	0.9
177.05510	0.7
177.09114	7.6
177.12772	1.5
179.10684	1.7
181.08632	0.9
182.48865	0.7
185.09605	1.2
187.07623	0.8
187.11220	1.1
189.09131	1.8
191.07098	1.2
191.10664	2.3
199.11194	0.9
201.09117	3.8
201.12848	1.0
203.10657	1.8
205.08548	2.9
205.12126	0.7
206.09253	0.8
207.10149	5.5
215.10739	1.7
215.14288	0.8
217.12309	0.9
219.10161	18.5
219.13658	1.3
220.10533	0.7
221.11739	0.9
223.09799	1.7
223.13254	1.4
224.11760	0.7
225.11101	4.8
225.58493	0.7
227.10754	0.9
229.12277	2.9
231.10168	0.9
233.11777	1.7
237.11151	12.3
237.13269	1.0
238.11559	1.1
239.14423	0.7
243.10109	1.8
243.13855	1.5
247.13310	1.3
255.10149	1.7
255.13927	0.9
257.11752	1.3
257.15344	0.8
259.13239	1.5
261.14874	4.4
271.13397	2.3
271.16812	1.1
272.13428	0.8
273.11246	1.0
273.14880	1.3
277.21619	1.1
279.15790	1.3
281.15295	0.9
285.14764	3.4
289.14566	1.5
289.17999	0.8
299.16483	2.1
299.19800	0.7
303.15878	1.9
311.16553	1.3
313.18118	1.2
313.21631	0.9
323.20016	0.9
326.18915	0.7
341.17456	3.5
341.21149	14.2
342.21466	1.4
358.36856	1.2
359.18613	5.5
359.22168	100.0
359.36978	5.1
360.22485	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	359.2216
Annotation	XR 368
Peak:m/z	Relative Intensity
53.03946	1.0
55.05514	5.4
57.07074	1.1
57.96146	0.5
66.46289	0.5
67.05507	6.2
68.20324	0.5
69.03430	1.7
69.07069	9.8
79.05473	3.0
81.07057	10.9
83.01348	0.8
83.04996	0.9
83.08604	3.0
88.07622	0.9
91.05472	3.4
93.07043	9.5
95.04955	1.6
95.08604	3.0
97.10145	0.6
98.23358	2.1
104.22071	0.7
105.07020	4.1
107.04955	1.1
107.08587	5.0
109.06494	1.3
109.10164	6.4
113.05962	0.9
117.07008	1.2
119.08591	3.1
121.06504	14.0
121.07329	1.0
121.10151	2.2
123.04464	1.1
123.08073	1.2
123.11715	2.8
131.08571	1.6
133.06514	0.9
133.10120	7.2
135.08066	1.2
135.11678	5.5
135.32375	0.5
137.05983	1.0
137.09610	3.1
141.05443	0.7
143.08562	0.8
145.10158	1.8
147.08052	2.9
147.11716	1.1
149.05942	1.4
149.09608	2.0
149.13240	1.3
151.11137	0.9
157.10103	0.6
159.08078	1.5
159.11624	1.3
161.09644	1.3
163.07591	1.9
163.11234	2.1
163.29247	0.5
165.09116	2.2
167.07039	1.4
173.09616	1.7
175.11214	1.1
177.09103	7.2
177.12720	1.7
179.10742	0.9
185.13219	0.7
187.11211	1.0
189.09113	1.4
189.12807	0.7
191.10640	3.1
195.10042	0.7
201.09084	2.6
203.10687	1.4
205.08597	1.8
205.12256	1.0
206.09355	0.9
207.10112	4.1
213.09048	0.6
215.10680	1.3
217.12329	0.9
219.10149	16.7
220.10571	0.9
221.11778	0.9
223.13316	1.1
225.11133	3.4
227.10551	1.1
229.12170	0.9
229.51482	0.8
231.13885	0.8
233.11740	1.8
237.11183	10.9
238.11476	0.7
242.09486	0.7
243.10081	1.5
243.13811	1.4
245.11705	1.3
247.13290	0.7
255.13762	0.6
257.11728	0.6
257.15399	1.1
259.13379	1.7
261.14905	5.7
267.13843	1.4
271.13239	0.8
271.16742	0.6
273.15005	1.2
277.14484	0.6
279.15863	2.7
283.13394	0.6
285.14679	2.8
286.15393	1.0
295.17368	0.6
299.16483	1.5
299.19803	0.9
303.16037	2.1
311.16385	0.7
313.18088	0.8
313.21472	0.9
323.19836	0.7
332.71509	0.6
341.17578	0.7
341.21069	14.6
342.21497	1.2
359.22156	100.0
359.36871	3.1
360.22528	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	359.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
55.05513	0.6
57.07056	0.2
58.49019	0.2
62.18386	0.2
65.03944	0.5
66.04711	0.4
67.05502	1.6
69.03424	1.0
69.07065	0.5
69.83127	0.4
69.83485	1.0
79.05489	11.1
80.05849	0.3
81.07053	100.0
82.07384	2.5
83.01331	0.5
83.04982	0.4
91.05471	0.6
93.07034	1.2
95.04955	1.5
95.08589	0.7
97.06522	0.7
97.10172	0.8
105.07050	0.6
107.08601	1.3
109.06510	0.6
109.10140	1.5
113.05977	0.3
119.08604	0.6
121.06507	2.4
121.10141	0.7
123.04429	1.3
123.08066	1.0
123.11739	0.5
131.08559	0.4
133.10097	0.5
135.08060	1.8
135.11671	0.4
137.06003	0.3
137.09605	2.1
137.20786	0.2
139.03941	0.2
141.05489	1.0
145.10136	0.5
147.08035	1.0
147.11699	0.3
149.09602	1.2
151.07513	0.6
156.09286	0.3
159.07976	0.3
159.11690	0.7
160.08522	0.3
161.09651	0.6
163.07541	1.7
163.11188	1.2
165.09129	1.6
167.07021	0.7
173.09604	0.6
173.13245	0.7
175.07474	0.4
175.11176	0.5
177.05507	0.3
177.09096	2.4
177.12695	0.6
181.08484	0.2
185.09552	0.3
187.07658	0.3
187.11093	0.5
187.14774	0.3
189.09151	0.7
190.09859	1.7
191.07040	2.2
191.10648	3.1
191.14311	0.6
197.13300	0.3
201.09119	0.6
201.12770	1.5
203.10643	0.7
205.08604	6.5
205.12131	0.6
205.15726	0.3
206.09364	5.1
207.10049	0.6
209.11732	0.7
215.10638	0.4
215.14360	0.9
218.12965	0.4
219.10271	2.2
219.13777	6.9
220.14174	0.4
221.08041	0.3
225.12741	0.3
228.11427	0.6
231.10146	1.9
233.11713	2.3
233.15262	1.7
237.11311	0.3
243.13806	2.8
245.11595	0.4
246.12508	5.6
251.12735	2.7
252.13260	0.4
261.14850	37.6
262.15210	2.6
277.50912	0.2
279.15891	75.0
280.16260	5.6
341.21039	0.5
359.22137	40.2
360.22498	4.4
381.30209	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2427
Annotation	oscr#21
Peak:m/z	Relative Intensity
55.01885	3.8
55.05514	10.5
57.03414	2.1
57.07080	2.2
60.40081	1.9
65.03918	2.9
66.52908	1.9
67.05505	29.7
69.07070	13.5
69.41193	13.1
79.05494	12.1
81.07059	30.7
83.04988	2.4
83.08613	8.2
91.05505	10.7
92.43266	1.8
93.07058	14.7
95.04977	3.6
95.08610	34.7
97.06531	3.2
97.10164	4.9
98.22628	2.2
103.05443	2.1
105.06994	9.4
107.04965	1.9
107.08584	12.2
108.02103	2.5
109.10146	21.8
111.08047	1.9
115.89217	1.7
119.04939	2.3
119.08581	6.6
121.10127	13.0
123.08031	3.5
123.11754	10.8
125.05987	2.8
129.06978	3.1
131.08578	8.8
133.06438	3.6
133.10147	5.4
135.04431	14.0
135.11697	8.0
137.05971	8.3
137.13248	2.9
139.11011	2.0
141.05379	2.7
143.98077	1.9
145.10112	5.5
147.04448	5.0
147.08220	3.3
147.11694	6.8
148.05141	3.4
149.06018	2.2
149.13228	2.8
151.03908	100.0
151.04982	6.3
151.07524	10.9
151.11081	2.2
152.04282	4.3
157.06474	2.4
159.08072	9.3
159.11647	3.1
161.05965	4.8
161.13229	4.1
163.07607	2.3
165.05544	2.3
165.09158	4.8
167.03355	4.4
167.07071	3.4
171.11665	2.4
175.07501	6.2
179.03328	2.4
179.10675	2.6
189.05586	2.7
189.09065	4.4
191.10634	3.8
193.08495	2.2
195.06490	3.7
203.06966	3.2
205.08545	3.2
207.10120	3.8
209.04427	11.7
213.05644	2.4
217.08678	3.9
219.10147	3.2
220.07143	2.2
223.07614	2.5
225.09288	2.2
235.09642	46.5
243.21078	3.2
255.06549	3.3
255.17676	1.8
259.09610	3.1
261.22131	12.8
269.08173	3.2
279.23230	11.0
281.04312	3.6
283.05969	23.8
284.06458	4.1
287.09293	2.2
296.06766	6.8
297.07529	6.8
298.08441	9.8
299.12720	4.0
302.69537	2.9
311.09137	4.1
313.03271	4.0
313.21588	2.4
323.22211	13.2
326.07657	12.2
327.08569	36.8
328.05563	4.8
328.09094	3.8
329.02853	4.2
329.06519	3.4
341.10205	81.2
341.23438	4.2
342.10437	9.9
343.08218	4.3
344.05267	3.8
344.08871	11.5
359.07443	18.2
359.11234	49.2
359.14700	2.9
359.18176	3.7
359.21921	3.7
360.11548	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	359.2424
Annotation	oscr#21
Peak:m/z	Relative Intensity
55.01861	0.6
55.05512	3.0
57.03426	0.8
57.07079	0.6
62.03337	0.5
65.03959	0.6
67.05500	3.1
68.21176	0.5
69.03403	0.9
69.07068	6.3
69.16543	3.3
69.16940	1.3
79.05490	3.2
81.07059	5.8
83.04969	1.4
91.05460	2.6
93.07034	4.7
95.04972	0.9
95.08581	3.1
97.06525	1.7
97.10161	2.6
103.05472	1.2
105.07018	3.0
107.04951	0.8
107.08569	2.2
109.02898	1.5
109.06561	0.6
109.10150	1.3
111.04426	0.9
117.07017	0.6
119.04958	0.7
119.08551	0.9
121.06473	0.5
121.10154	5.9
123.08067	0.7
124.05312	0.6
125.05983	1.0
125.09636	0.8
131.08574	2.0
133.06485	1.5
135.08058	0.9
135.11658	0.9
136.05228	0.9
137.05983	4.7
137.09627	0.6
139.07576	0.9
139.11174	6.1
141.05437	1.2
143.08530	0.8
147.04370	1.9
149.06021	0.9
149.09669	0.9
151.03902	6.8
151.07538	6.4
153.05383	0.7
157.06459	0.8
157.10057	0.8
157.12215	1.0
159.08025	3.3
161.06012	1.6
163.07439	0.8
164.08301	0.6
165.05496	3.0
165.09102	1.9
167.03384	0.9
167.07104	0.6
167.10695	1.1
175.07568	1.0
177.05440	0.5
179.03438	0.5
179.07048	1.0
179.10603	1.6
181.04944	1.7
189.09099	0.9
191.10680	0.6
193.08525	1.2
195.06517	1.1
203.10858	1.1
203.12773	12.9
204.07803	0.7
205.08553	0.8
205.12514	0.5
207.10126	1.7
213.05423	1.0
217.08583	2.2
217.12296	0.7
219.10199	2.1
221.08104	0.9
221.11719	0.9
223.09679	0.7
229.08441	0.6
230.05728	3.1
233.15388	0.6
235.09647	1.2
235.13287	1.3
237.99463	0.5
241.04980	0.8
245.08066	9.9
246.08345	1.2
255.06509	0.6
257.04306	0.7
258.05136	3.3
268.11035	0.6
273.07553	24.2
274.07935	2.0
285.07474	1.0
286.04572	1.1
287.08685	0.5
295.09631	0.7
300.06430	0.7
301.07053	24.0
302.07397	1.9
313.07056	1.1
314.04120	1.7
315.08533	1.8
316.09360	1.5
326.07846	0.7
327.08560	4.4
328.05719	1.7
329.06534	44.1
330.06848	4.5
341.13727	1.1
341.17612	0.7
343.08060	4.7
344.08887	57.3
345.09167	6.1
359.11218	100.0
359.22113	2.2
360.07147	0.9
360.11557	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	359.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	4.6
55.05512	70.2
57.07085	5.1
64.79321	4.8
67.05513	31.2
69.07066	25.4
71.05006	5.4
71.33850	8.1
79.05488	29.8
79.09881	4.2
81.07052	42.1
83.08607	35.5
87.04510	7.1
91.05494	11.8
93.07050	35.2
93.65162	4.6
95.08594	23.7
97.06508	5.5
97.10171	88.7
98.99551	5.0
105.07028	9.3
107.08591	32.2
109.06588	5.3
109.10178	12.5
119.08583	15.0
121.10135	23.3
123.08087	5.4
123.11753	5.8
125.09625	85.8
131.08577	5.4
133.10068	7.0
135.08054	20.6
137.09662	5.9
139.11151	28.1
149.13254	5.1
153.09068	34.7
157.12210	10.0
171.10109	8.0
187.14880	5.3
189.11157	32.8
203.12755	100.0
203.14597	7.2
272.31009	5.4
359.25443	6.2
359.29578	7.7
359.33307	5.7
359.37216	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	359.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.1
55.01874	6.4
55.05247	3.4
55.05508	50.2
57.03436	2.0
57.07078	2.8
60.04523	15.7
64.76407	1.4
67.05500	19.7
69.03426	7.8
69.07072	23.8
69.65773	3.3
69.66132	9.1
71.04980	1.8
72.93160	1.8
79.05490	23.9
81.07061	24.9
83.04988	3.4
83.08620	32.4
87.04469	2.1
88.04000	3.6
91.05479	6.1
93.07047	23.3
95.04984	2.6
95.08594	10.8
96.99031	1.8
97.06523	3.8
97.10163	83.0
97.79005	1.7
98.10562	2.0
98.22632	3.1
101.05997	1.7
105.07027	2.9
106.05017	15.7
107.08591	32.0
109.06534	2.5
109.10125	4.7
111.08063	2.5
111.11697	1.9
115.05499	2.0
117.07056	2.9
119.08545	4.2
121.10133	9.4
125.09626	91.4
126.09982	2.0
131.08591	2.4
135.08037	17.3
135.11670	3.4
137.05948	2.4
139.11188	12.9
141.09123	1.8
143.10704	2.9
153.09088	27.1
157.12242	11.1
161.13319	2.0
171.10165	5.2
171.13838	2.1
187.11263	1.7
189.07379	1.9
189.11177	21.1
200.07123	2.6
201.07341	8.8
203.12773	100.0
204.13148	5.7
237.87584	1.7
309.20413	3.6
323.32480	1.5
326.27634	2.0
359.29590	2.5
359.33337	2.7
359.37152	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30376	1.2
55.05510	5.1
57.07076	3.2
65.03960	1.6
67.05502	14.2
69.03423	4.0
69.07077	4.4
69.18346	11.1
71.05000	2.0
77.03878	1.2
79.05491	7.6
81.07056	37.8
83.04991	4.2
83.08619	3.0
87.04469	1.7
91.05479	8.4
93.07044	11.1
95.08614	10.4
97.06536	3.6
97.10188	5.2
105.07029	8.8
107.04928	1.6
107.08589	28.1
109.06560	3.6
109.10154	16.9
111.08088	2.4
111.11787	1.4
117.07037	2.1
119.08609	3.5
121.06511	35.9
121.10159	11.9
123.08084	3.3
123.11713	14.2
124.78075	1.3
125.05998	2.4
125.09630	27.4
125.10513	2.0
126.09917	1.6
131.08578	1.6
133.10117	8.4
135.08072	8.6
135.11685	10.9
137.09631	5.9
137.13242	16.1
139.11176	1.8
143.08559	1.4
145.10162	2.9
147.08075	4.7
149.05983	2.4
149.09631	5.2
149.13252	3.3
151.11159	4.2
153.09103	12.0
153.12729	3.2
159.11696	2.8
163.07553	3.1
163.11201	3.8
167.10683	1.4
173.09650	2.7
174.10278	1.3
177.09108	17.3
177.12801	5.5
178.13177	1.1
179.10657	2.3
181.12271	5.0
191.10536	2.9
195.13750	6.8
201.09158	4.4
205.12251	2.6
209.11539	1.2
219.10156	38.3
220.10536	3.5
223.13287	100.0
224.10529	1.5
224.13704	6.1
225.11049	2.0
235.13402	1.7
237.11212	64.3
237.15022	3.6
238.02544	1.4
238.11528	3.8
272.29999	1.4
279.15933	1.7
295.48730	1.5
341.17419	3.7
341.21207	6.0
341.24756	1.8
359.22089	43.2
359.25864	70.3
359.37112	5.5
360.22476	2.5
360.26111	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	359.2581
Annotation	Akaol A
Peak:m/z	Relative Intensity
53.03947	0.4
55.01855	0.7
55.05498	1.0
57.07065	0.9
65.03926	0.5
67.05515	2.7
69.03406	0.7
69.07066	2.5
69.58422	2.0
70.06582	0.6
79.05493	3.5
81.07056	4.2
83.01321	0.5
83.04959	1.2
83.08602	1.3
88.07624	0.6
91.05479	3.0
93.07054	4.0
95.04970	0.6
95.08616	3.1
97.06545	0.4
105.07027	2.4
106.08663	0.6
107.04949	0.9
107.08591	5.7
109.06510	1.0
109.10157	4.2
111.04468	1.9
111.08100	1.7
115.05425	0.9
117.06998	1.8
118.15509	0.4
119.08601	1.0
121.06491	2.0
121.10139	1.4
123.08078	0.5
123.11707	5.9
125.05988	1.2
125.09597	0.5
131.08487	0.9
133.10129	0.5
135.08055	16.1
135.09082	0.8
135.11665	2.3
137.05972	1.0
137.09576	0.6
138.06752	5.9
139.07550	22.0
140.07867	0.7
145.06479	0.4
145.10081	0.7
149.06050	0.4
149.09647	0.3
149.13245	0.5
151.03935	0.4
151.07536	0.8
153.09085	1.1
159.08058	0.4
163.07545	29.8
164.07895	1.4
165.09106	0.4
167.07016	1.0
168.07820	0.4
169.08543	1.9
173.09592	0.4
179.17934	5.1
180.18115	0.4
181.08595	100.0
182.08936	4.3
191.17957	1.7
195.10185	0.7
201.16463	0.7
205.08588	0.4
207.10054	0.4
215.14481	0.4
223.13252	1.3
227.02013	0.4
229.00261	0.4
302.27292	0.3
303.19595	1.5
341.17435	1.1
341.24841	0.8
358.36786	1.2
359.11362	0.6
359.18488	1.4
359.25812	23.6
359.37161	5.8
360.26181	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52301	0.8
53.03936	1.2
55.01854	1.0
69.03413	1.2
69.50504	5.2
79.05487	3.6
81.07044	1.6
85.02892	2.7
91.05485	6.6
93.07034	1.5
95.04985	1.7
103.05449	4.4
105.07022	2.3
107.04961	12.1
115.05419	1.3
119.04935	1.2
121.02880	2.3
121.06514	2.3
123.04446	1.6
123.08031	0.8
128.06213	1.3
129.06990	1.9
131.04933	1.8
133.02866	3.7
133.06436	1.8
135.04431	4.2
135.08046	1.5
137.06004	4.6
145.04980	0.9
145.06512	0.8
147.04364	1.5
148.07565	1.1
149.02342	100.0
150.02660	3.1
151.03873	0.9
151.07521	1.7
153.05400	1.2
157.06479	1.5
161.05992	6.3
161.09592	2.1
163.03905	65.8
163.07529	12.4
164.04279	2.4
165.05476	2.6
165.06845	0.9
167.03300	0.9
167.07065	4.9
174.06778	1.2
175.07516	1.1
179.07005	2.3
180.07712	4.0
181.04961	24.3
181.08566	8.0
182.05338	1.1
189.09123	8.3
190.08578	1.0
191.06918	1.7
207.10161	1.5
208.09691	2.8
210.06741	0.9
218.67021	0.8
225.09021	1.1
238.15099	0.8
239.07069	0.8
253.08549	0.9
255.11259	1.7
257.11819	0.9
269.12820	1.9
285.11295	2.4
297.12320	2.8
312.62912	0.9
315.13358	6.9
342.14151	1.2
360.11176	0.8
360.15561	14.9
361.09012	1.5
361.16251	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99726	0.3
54.18214	0.3
57.03405	1.1
58.65371	0.3
67.05477	0.6
68.99767	1.6
69.03412	0.7
70.06609	2.5
70.62541	0.5
70.62864	0.6
79.05456	1.1
81.07025	0.9
83.01316	0.7
83.05006	0.4
91.05468	1.8
93.07008	0.7
95.04959	1.6
95.08581	1.2
105.07001	1.3
107.04929	1.4
107.08546	0.9
115.05436	1.0
117.07014	2.8
119.04926	2.2
121.02801	0.3
121.06506	3.0
123.04428	17.4
124.04723	0.5
129.07021	0.4
131.04884	0.4
131.08577	0.5
134.03590	0.3
135.04399	2.1
135.08054	4.2
136.07565	1.7
137.05968	1.6
139.03854	0.6
145.06500	2.7
147.03282	0.6
147.04390	6.8
147.08086	0.6
148.04980	0.5
149.05998	2.7
151.03928	1.9
157.06496	1.0
161.05977	1.5
162.09122	0.4
163.03894	1.4
163.07535	14.6
164.07813	0.6
165.05489	3.7
167.07082	0.5
173.05988	6.4
175.07498	0.5
176.04712	0.4
177.05450	0.3
179.07033	5.0
180.60773	0.3
185.06006	0.7
188.07059	0.6
189.05504	0.5
190.08620	12.4
190.10361	0.6
191.07025	56.4
192.07372	2.8
203.06979	2.5
208.09680	100.0
209.10020	4.2
220.09686	1.1
221.07968	0.5
262.25876	0.3
307.09647	0.4
325.10687	4.3
342.13330	3.6
343.11630	2.8
360.14429	21.6
361.08954	5.7
361.14709	2.0
361.18433	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	4.4
57.03437	6.2
61.02931	3.5
62.06097	7.2
69.03427	15.8
69.12688	19.5
70.06592	10.8
73.02905	5.3
76.73710	2.7
81.03403	4.8
84.08164	3.1
85.02910	82.2
87.62697	2.7
97.02893	17.1
99.04485	6.0
115.03985	4.3
119.01877	5.6
127.03923	44.0
136.07631	3.6
145.03683	5.5
145.04941	39.4
152.07022	4.5
163.06013	12.5
175.11913	5.8
185.03036	4.2
198.07610	4.0
198.11279	9.3
208.09717	3.7
348.41599	3.3
356.04721	3.1
357.68454	3.1
360.09769	16.5
360.16351	6.7
361.04538	6.4
361.08890	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.2
55.01876	2.1
55.05535	1.3
57.03434	4.4
57.60084	1.2
60.04518	1.8
61.02927	2.7
61.29824	1.4
67.05484	1.3
69.03445	6.7
70.06598	2.3
71.04967	1.2
71.30353	1.1
71.30731	1.5
73.06554	2.7
74.06091	1.3
79.05501	2.4
81.03423	8.4
84.08150	2.4
85.02904	27.2
91.05485	3.9
93.03390	1.3
93.07050	2.2
94.06514	1.3
95.05011	1.2
97.02901	8.0
98.97581	1.7
99.04472	1.2
101.06004	2.5
103.05457	8.5
105.07070	6.8
107.04954	43.9
107.08564	1.5
109.02872	3.0
116.07089	1.8
117.07020	1.3
119.05000	2.2
121.06483	10.9
122.03595	1.9
123.04402	4.6
127.03941	6.4
131.04918	3.7
133.06506	5.0
135.08051	7.1
137.05972	44.9
139.03894	1.7
145.04935	7.4
145.06528	1.7
147.04401	2.6
148.05180	5.5
149.05978	12.5
151.03970	2.0
151.07532	4.0
163.03922	4.3
163.07553	21.4
164.08093	1.3
165.09117	20.1
167.07054	3.2
175.07542	3.4
177.05547	1.4
179.06956	1.4
181.05144	3.0
181.08588	100.0
182.08972	4.8
190.08627	1.7
191.07028	5.3
196.10451	1.4
208.09668	7.7
209.06030	2.3
218.99590	1.3
237.05487	3.7
237.26294	1.6
253.04912	1.4
265.04971	4.6
268.03665	3.7
269.15866	1.3
278.49738	1.3
283.06003	5.5
288.05377	1.4
293.04504	1.3
296.03143	1.3
311.05530	9.8
336.49390	1.3
343.08060	24.0
360.13318	8.5
360.17224	11.8
361.14413	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	360.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	3.6
57.03437	1.8
61.02941	2.6
65.03976	1.3
65.40643	1.3
69.03419	4.6
70.23141	1.4
71.32485	2.7
79.05478	2.3
81.03395	2.6
85.02902	24.0
91.03944	1.5
91.05469	4.8
93.07030	3.3
95.04951	1.6
97.02894	7.4
99.04485	2.2
103.05478	8.4
105.07032	2.4
107.04971	3.9
110.76723	1.4
119.04893	2.4
121.06502	21.7
125.02389	1.7
127.03883	3.8
130.65038	1.3
131.04979	3.2
135.08073	1.9
137.05968	3.7
140.04666	26.5
145.04964	5.7
147.04416	2.9
149.05962	17.0
151.03864	5.0
151.07491	3.4
153.05478	13.6
163.07486	5.4
166.06264	1.5
167.07013	3.1
181.08585	100.0
182.09000	3.4
189.09169	2.6
328.12335	2.1
360.15118	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	360.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	100.0
59.04990	44.7
67.05495	87.5
69.03429	21.1
69.07057	78.0
70.08874	80.7
71.04975	76.6
79.05489	94.6
81.07053	78.2
83.04972	29.0
83.08652	51.9
91.05465	56.2
93.07025	61.6
95.04975	31.2
95.08595	61.0
97.06513	61.9
97.10186	48.3
98.23137	26.2
105.07039	24.0
107.08595	49.4
109.06553	28.1
109.10160	63.9
111.08028	22.8
121.10152	26.8
125.09613	66.6
131.08591	23.9
133.10132	25.6
137.09662	25.4
138.21716	24.0
139.07564	27.4
145.10197	26.4
149.09604	26.1
151.03952	30.7
153.09111	28.1
167.07036	35.2
248.76614	22.4
260.85452	21.3
276.63345	23.7
336.21393	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	69.3
57.03421	18.2
59.04997	45.9
67.05507	99.2
69.07064	85.2
69.14322	41.4
69.14738	100.0
71.04992	50.0
73.02934	15.1
79.05494	43.3
81.07064	68.7
83.08610	36.5
85.06566	19.3
85.14217	14.1
90.07886	13.7
91.05488	57.6
93.07030	59.4
95.04955	24.5
95.08624	52.1
97.06538	47.8
97.10152	59.2
99.08114	17.3
100.04172	14.0
105.07056	40.7
107.08605	66.0
109.06532	30.1
109.10194	19.1
111.08080	31.5
115.07569	40.0
119.08562	29.4
121.06471	16.0
121.10155	25.8
123.08109	19.0
125.09625	44.9
129.06938	18.0
131.08586	25.5
133.10133	20.5
135.08061	22.6
135.96213	16.6
139.07520	27.3
148.94101	14.4
151.07538	25.7
153.09221	14.6
163.85168	15.1
171.10199	21.2
179.06963	26.7
180.07397	19.0
181.10077	15.9
189.11298	23.6
273.68140	16.1
361.16281	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	6.1
57.07075	4.4
59.04989	8.2
61.65123	3.3
65.90795	3.3
67.05491	15.0
69.07056	13.2
69.21062	29.3
71.04981	7.3
79.05488	8.7
81.07056	50.7
83.08601	18.3
88.07611	3.8
91.05472	7.3
93.07039	20.7
95.08601	15.4
97.06544	5.0
97.10130	5.7
98.02222	3.4
105.07025	7.0
107.08576	9.0
109.10156	9.5
111.08086	4.3
121.10101	9.3
122.69701	4.5
123.11711	63.1
128.69418	3.4
133.10133	24.4
133.58189	3.5
139.11162	4.5
151.11176	8.4
169.12227	7.5
178.18130	4.0
187.13292	100.0
207.23697	4.0
307.22769	5.4
325.23709	13.9
360.25443	6.7
360.34845	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	360.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	9.9
55.01875	11.8
55.05507	41.3
59.04995	11.8
67.05506	85.0
69.03430	13.8
69.07069	30.6
71.04990	70.5
73.06557	7.5
79.05492	91.4
79.27293	7.4
81.07051	53.6
83.04967	11.4
83.08629	17.3
85.06544	15.5
91.05460	34.9
93.07048	100.0
95.04977	13.2
95.08591	41.6
97.06535	22.7
97.10168	27.6
99.08109	13.9
105.07013	41.6
107.04988	14.5
107.08611	50.6
109.06467	8.2
109.10146	67.1
119.08588	25.0
121.06490	9.7
121.10133	84.5
123.04429	8.6
125.09628	19.6
131.08574	12.7
133.10143	24.9
135.04367	7.2
135.08003	9.8
135.11668	11.4
137.05940	21.0
137.09636	12.6
145.10153	17.2
147.11668	11.1
149.09682	11.0
149.61754	6.8
151.03954	39.1
151.07561	7.1
152.04263	12.3
153.12756	41.4
155.10674	21.5
159.08031	8.3
159.11749	9.7
161.06010	6.9
163.07587	19.1
164.07986	7.9
165.09116	14.7
167.07082	9.8
171.10226	11.0
173.11758	87.2
173.13113	13.1
175.07486	9.0
178.09903	25.8
179.10327	27.0
187.07552	9.1
189.11237	26.4
193.08527	11.4
205.08705	10.8
209.08081	11.0
209.11812	8.6
210.04778	9.3
275.20117	35.2
296.38022	6.7
333.50726	7.1
334.98575	7.6
357.58096	6.9
360.15479	12.9
360.27612	9.2
361.19943	43.0
361.23737	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	360.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	10.0
55.05520	30.1
56.06153	5.5
57.07073	19.1
62.44634	5.9
64.19550	5.7
67.05504	61.5
69.03416	20.1
69.07063	17.9
69.49091	33.2
71.04997	36.9
79.05488	57.9
81.07064	37.0
83.04990	8.4
83.08616	16.1
85.06548	15.9
91.05480	43.3
93.07046	100.0
95.04949	10.5
95.08609	27.3
97.06577	10.4
97.10134	13.8
99.08054	10.5
103.05451	6.4
105.07046	27.7
105.07659	5.9
107.04975	9.5
107.08590	73.8
109.06525	11.4
109.10162	62.7
111.04400	5.7
111.08101	12.0
113.06010	9.1
116.21088	5.9
117.06991	7.4
119.08617	16.5
121.10143	36.9
123.04408	8.0
123.08066	7.2
125.09650	24.7
131.08560	14.8
133.10141	29.7
135.08038	10.9
135.11703	24.8
137.05995	16.0
139.03925	10.2
145.06491	8.1
145.10130	10.4
147.04431	15.4
147.11636	11.9
149.06015	9.7
149.09636	12.9
150.78343	6.0
151.03938	48.5
151.07600	8.8
151.11246	14.0
152.04269	25.7
153.09059	7.6
153.12735	16.3
155.10704	11.4
155.66571	5.6
155.67831	5.7
157.10126	5.8
159.08083	13.9
159.11693	8.2
161.06033	9.7
161.09549	6.0
161.80116	6.2
163.03929	14.3
163.07550	17.2
165.05481	7.8
166.05792	7.0
167.03421	11.3
167.07071	23.1
171.10188	13.2
173.11732	44.4
175.11308	6.5
177.05475	8.4
177.09216	13.5
189.08867	7.5
189.11244	14.7
191.06966	35.3
203.03407	7.0
205.08604	51.3
208.10373	6.6
209.08086	14.3
219.06465	8.5
223.09538	43.6
229.08473	8.5
231.10193	7.5
231.13844	7.2
235.09601	6.8
241.08429	7.1
243.10164	7.8
245.13858	15.1
249.11189	9.7
255.10345	6.3
257.11658	7.6
259.13330	22.5
261.11368	12.4
267.12289	16.6
275.12674	11.8
275.20059	21.4
300.06226	7.6
301.14008	9.4
343.11905	7.8
343.18930	67.7
360.11404	23.8
361.09143	48.1
361.12839	11.6
361.20071	66.7
361.23828	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	361.0552
Annotation	3,3',4-Tri-O-methylflavellagic acid
Peak:m/z	Relative Intensity
50.32925	0.4
57.00928	0.4
60.43372	0.4
67.05490	0.7
69.36244	3.4
79.05468	1.2
81.07046	1.1
85.98325	0.5
91.05462	2.0
93.07014	1.1
95.04940	0.5
95.08583	0.6
101.38998	0.4
103.05464	1.1
104.16204	0.4
105.06989	1.1
107.04941	2.0
107.08588	0.8
115.05463	0.5
117.07024	0.7
119.04915	0.8
119.08576	0.6
121.06480	1.3
123.04393	1.1
129.06950	1.2
131.04889	1.2
131.08551	0.9
133.02887	0.5
133.06516	0.9
135.07996	0.6
137.05931	1.8
139.03833	0.5
145.06496	0.8
146.03580	0.6
147.04398	1.5
149.05966	0.7
151.03876	1.5
151.07524	1.5
153.05457	1.1
157.06439	0.9
160.05167	1.0
161.05966	2.0
163.03848	1.2
163.07520	1.4
165.05501	0.7
165.06935	0.7
167.07057	5.0
170.03659	0.6
171.04375	0.5
173.05922	0.4
175.03969	2.1
175.07582	0.5
177.05444	0.8
178.09685	0.6
179.07001	0.9
181.04930	0.8
181.08569	2.0
182.07137	0.6
186.03204	0.5
187.03848	0.6
188.04651	1.2
189.01852	0.6
189.09044	2.0
191.03365	1.2
191.07013	0.6
194.07205	0.4
201.01779	1.9
202.02505	0.9
203.03378	2.5
204.04077	0.5
207.10123	1.0
216.04175	4.1
219.02922	2.1
220.03896	0.6
222.56657	0.5
226.02625	2.1
227.03389	1.1
229.01302	4.1
229.04950	0.5
230.02031	1.1
231.02867	1.6
232.03433	0.5
240.00403	1.6
242.01949	0.6
243.02769	1.5
244.03583	5.4
245.04182	0.6
247.02330	4.2
254.02075	2.5
255.02779	1.9
256.03458	0.8
257.00803	11.4
258.01437	1.9
259.02286	1.9
261.03848	0.5
268.00018	0.7
271.02325	1.2
271.06564	0.5
272.03101	3.4
273.03879	1.7
274.04666	0.8
275.01837	3.5
283.02310	1.4
283.09702	0.5
285.00333	9.6
285.11105	1.1
286.00937	1.3
287.01709	0.9
287.98907	0.7
288.99747	1.4
289.03522	0.6
290.04224	0.8
298.00970	0.7
300.02585	6.3
301.03366	3.0
301.06464	0.5
302.00562	1.0
302.03979	1.1
303.01334	9.5
303.04797	0.6
304.01642	0.7
312.99832	2.5
314.00626	0.8
315.01181	1.2
315.12048	0.9
315.98471	1.0
317.02744	1.4
317.06134	0.6
318.03284	0.7
328.02109	23.6
328.98947	0.9
329.02859	13.2
329.13516	0.5
330.03455	1.3
331.00812	18.3
331.04324	1.0
332.01212	1.6
343.11526	0.6
345.02328	2.1
346.03165	34.6
346.06805	1.7
347.03464	2.4
351.32349	0.5
361.05469	100.0
362.05753	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0893
Annotation	Nitrovin
Peak:m/z	Relative Intensity
59.08870	1.4
62.77211	1.4
69.03427	2.2
69.41868	9.8
71.69929	1.4
85.02907	2.3
96.04497	2.1
107.92030	1.5
113.07073	1.7
119.01944	1.5
137.05942	2.4
163.82411	1.6
201.25964	1.6
216.98764	2.7
223.06792	1.4
234.99864	2.0
258.99835	3.3
270.99728	2.3
289.00867	2.4
361.08945	100.0
361.14536	16.8
362.09415	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	361.0893
Annotation	Nitrovin
Peak:m/z	Relative Intensity
57.03441	4.2
61.02882	3.3
69.03414	7.5
70.06578	7.4
70.81534	4.2
73.02874	3.6
77.36244	2.1
85.02900	17.7
86.03232	3.3
97.02892	6.9
98.97549	8.7
101.00865	4.2
107.66694	2.3
110.97540	4.1
112.85825	2.6
116.07074	2.3
116.98598	2.7
119.01859	3.3
127.03918	7.2
145.03508	3.2
145.04918	5.0
147.37967	2.1
155.02864	2.6
158.99640	7.1
161.06758	2.3
164.91136	2.1
170.99655	3.5
173.02826	2.8
175.11911	4.5
177.00685	2.7
182.03271	3.6
189.00760	2.7
191.03874	11.8
200.04393	14.1
201.00648	3.7
203.04077	3.5
219.01759	4.5
221.05136	3.3
249.02736	2.9
252.31674	2.2
259.06219	2.5
272.06653	4.3
281.07111	2.6
309.05051	3.1
329.03592	4.5
332.61658	3.0
359.16965	2.4
361.08868	100.0
361.16516	3.9
362.08554	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	361.0894
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	1.6
56.96567	1.8
69.03419	2.4
70.06591	1.6
70.35279	2.7
70.35677	3.2
84.08146	2.0
85.02879	5.2
94.06509	1.3
96.04498	4.0
97.02856	1.8
98.06087	1.4
98.97582	4.2
113.07137	2.0
116.98601	1.7
119.01929	3.6
137.05966	2.2
139.05040	4.2
145.03435	2.1
155.01830	2.0
159.65077	1.3
161.02959	4.1
169.06102	7.3
175.11928	3.2
190.03648	1.7
193.06071	5.6
195.07533	1.8
198.97626	3.8
199.02820	1.7
199.04495	2.1
199.06212	1.9
205.05901	1.9
213.06079	2.1
216.98749	10.0
217.05634	1.9
221.05066	2.7
223.07091	9.5
225.08684	2.0
234.99684	3.4
241.05733	3.3
241.08199	3.6
241.80327	1.4
258.99716	4.2
270.99719	4.2
271.09366	2.6
277.01065	1.6
279.09671	3.0
289.00797	2.1
301.00726	2.3
325.10178	1.8
343.13724	1.8
361.08923	100.0
361.14584	18.9
362.09207	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.9
56.83258	3.2
57.03408	5.2
60.04520	3.0
60.32256	3.1
68.09773	3.5
69.03430	8.1
69.10155	24.0
69.10567	7.4
71.05015	4.9
72.12258	3.1
73.02890	3.0
79.67869	3.2
81.03416	13.2
85.02904	21.8
86.03292	3.6
91.05505	4.9
93.03400	4.0
93.07020	5.4
97.02872	6.5
107.04955	5.0
111.04456	12.2
117.06993	4.3
119.04942	5.1
122.03657	5.0
129.05470	3.9
131.04898	5.6
137.05977	94.7
138.06296	4.5
139.03912	15.0
145.05034	5.3
151.07524	7.7
160.05362	3.1
163.07594	3.8
167.07108	3.4
175.07585	5.8
181.08571	8.0
182.08971	5.7
183.06523	5.0
217.07634	5.1
235.79820	3.7
237.05499	5.3
241.07581	6.8
241.55765	3.2
265.04846	7.8
268.03571	4.4
283.06061	3.8
299.27985	3.1
311.05487	11.6
343.08047	23.0
343.11908	4.4
361.14297	100.0
362.15009	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	361.1281
Annotation	9,10-Dihydro-8-hydroxy-10-methyl-8H-pyrano[2,3-h]epicatechin
Peak:m/z	Relative Intensity
53.03939	0.6
53.58992	0.2
54.68456	0.2
55.01863	0.5
59.11491	0.2
61.01273	0.2
65.03930	0.6
67.05491	0.7
69.03432	0.3
69.07065	0.4
70.91727	0.5
70.92061	0.3
71.05029	0.3
77.03912	0.4
79.05493	1.2
81.03417	0.5
81.07040	0.9
83.04968	0.3
91.05471	2.8
93.03399	0.3
93.07025	1.2
95.04948	0.8
95.08599	0.4
103.04778	0.3
103.05463	5.2
104.05771	0.3
105.03359	0.3
105.07027	1.1
107.04954	2.8
107.08591	0.7
109.02865	1.5
109.06492	0.4
109.10116	0.4
111.04457	0.5
115.05437	1.2
116.63757	0.2
117.07020	1.5
119.04958	2.1
119.08567	0.3
121.06505	2.8
123.04373	0.3
123.08009	0.2
124.05210	0.2
125.06006	1.8
129.07018	0.3
131.04913	3.1
131.08542	0.3
133.06487	0.8
135.04413	0.9
135.08049	2.3
136.05130	0.4
137.05969	3.9
137.09572	0.4
141.05424	0.3
141.07014	0.2
145.06453	1.2
145.10146	0.3
147.04414	3.2
148.05064	0.3
149.05972	19.9
150.06323	0.8
151.03915	6.0
151.05025	1.1
151.07524	2.6
153.05444	2.2
153.06610	0.3
157.06432	0.3
157.21741	0.2
161.05959	1.0
163.07536	5.7
164.08362	1.2
165.05453	0.7
165.06860	0.2
165.09122	0.9
167.07021	1.1
167.08374	0.4
173.05991	1.0
177.05466	3.3
177.09013	0.2
178.05923	0.3
178.09882	0.5
179.07047	4.0
180.07663	0.4
181.08606	1.5
183.10162	0.3
185.05911	0.3
187.07535	0.8
189.05515	0.3
189.09093	1.0
191.07024	100.0
192.07362	4.4
193.08553	0.3
194.07301	0.2
195.08051	0.9
197.06386	0.3
197.08090	1.6
201.05466	0.5
205.06587	0.4
205.08627	0.8
207.10205	0.2
209.08060	3.2
211.07510	0.3
219.06485	8.7
219.10107	0.8
220.06923	0.4
223.07521	1.1
223.09677	1.3
224.08173	0.3
225.09019	0.3
237.07318	0.3
237.09283	0.4
237.11261	0.5
239.07002	0.5
240.07875	0.3
241.04985	0.7
242.05522	0.2
247.07513	0.3
247.09802	0.2
250.06261	0.5
251.07079	1.2
253.08507	0.5
254.09244	0.3
255.10182	0.4
257.08014	0.5
265.08688	1.1
267.06558	0.4
268.07214	1.7
269.08041	0.3
269.11749	0.3
270.08725	0.4
273.07458	0.2
283.09647	4.1
284.09821	0.5
285.11142	0.6
293.08032	1.0
297.10999	0.5
309.07480	0.3
310.08408	1.4
315.12195	0.4
325.10703	6.0
325.14255	0.3
326.11032	0.6
343.11707	3.7
343.15408	1.2
344.11969	0.3
361.08868	0.3
361.12656	1.9
361.23010	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.3
55.95034	1.2
69.03426	1.8
69.65487	6.2
72.55422	1.0
72.72077	1.0
79.05502	1.2
81.03418	12.0
85.02892	5.5
93.07077	1.9
94.04148	1.6
97.02873	2.2
98.23269	1.6
103.05440	1.1
115.05472	1.9
117.07045	2.2
119.04940	1.7
122.03671	3.2
123.04430	3.2
127.03917	1.3
131.04951	3.5
137.05974	100.0
138.06352	3.6
145.06488	1.9
147.04428	1.8
151.07498	9.3
163.07553	3.9
165.05458	1.9
167.07088	1.9
175.07510	5.6
177.05527	1.3
177.09137	2.9
179.07031	1.7
181.08586	4.7
187.07501	2.3
191.07059	2.7
199.09546	1.2
203.06947	1.3
209.08116	1.5
229.08658	1.6
236.16678	1.2
343.08218	1.5
361.14526	23.4
361.17862	2.3
362.14722	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1489
Annotation	Cachineside I
Peak:m/z	Relative Intensity
69.03439	2.7
71.16760	2.6
81.03416	17.5
85.02890	8.1
91.05460	3.3
93.07019	2.3
93.91719	1.4
94.04150	2.8
97.02889	3.0
107.04933	2.0
115.05458	1.5
117.07066	1.6
119.30660	1.3
122.03642	5.4
123.04436	5.6
131.04999	1.9
137.05980	100.0
138.06352	4.7
139.03789	1.7
145.06488	3.3
147.04387	2.2
149.05936	1.9
151.07567	9.5
163.07503	4.5
165.05577	1.8
165.09059	3.4
167.07047	3.1
175.07579	5.7
177.09088	1.9
179.07005	3.0
181.08559	7.1
187.07559	2.1
189.09126	1.7
191.07024	2.8
193.08463	1.9
202.69218	1.4
203.07121	1.7
209.05913	1.6
209.07990	3.5
229.08575	3.0
243.10117	2.3
247.09804	1.6
271.09564	1.8
361.14551	33.1
361.18237	3.8
362.14694	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52960	0.7
50.62927	0.7
53.03947	3.3
55.01870	5.0
55.05513	1.9
65.03935	2.6
67.05501	2.2
69.03434	1.7
69.07046	1.2
69.84357	3.6
71.04989	1.5
77.03922	1.2
79.05481	6.2
81.03415	3.3
81.07053	6.1
83.04974	2.2
84.79021	0.9
85.02905	1.2
85.06540	1.3
86.26094	0.8
91.05477	18.0
93.03414	1.9
93.07042	8.0
95.04950	6.0
95.08603	1.6
103.05455	19.5
103.06101	1.2
105.07028	8.5
107.04946	34.8
107.08601	2.1
108.05272	1.4
109.02880	2.3
109.06506	2.3
111.04415	2.1
111.24297	0.8
115.05439	4.7
116.06234	0.8
117.07005	6.4
119.04939	8.2
119.08589	1.7
120.05671	0.8
121.06496	20.6
121.07319	1.4
121.10168	1.1
122.03638	1.9
122.06788	0.9
123.04415	5.1
123.08083	1.2
125.06006	3.0
127.03894	1.0
128.06226	1.0
129.06998	2.3
131.04907	13.3
131.08559	4.2
132.05705	1.2
133.06424	5.0
133.10123	1.2
134.07265	1.1
135.04417	6.3
135.08032	8.8
136.05206	2.5
137.05963	23.5
138.06409	0.9
139.03902	3.1
141.06989	1.2
143.04944	1.3
143.08569	0.9
144.05711	1.1
145.06509	5.5
145.07536	1.3
146.07257	10.9
147.04410	6.4
147.08029	9.5
147.11723	0.8
148.05180	1.7
149.05968	22.6
149.09621	1.3
150.06702	2.6
151.03920	9.1
151.04970	1.0
151.07530	30.6
152.04460	0.8
152.08003	1.0
153.05469	8.3
157.06522	2.4
159.08066	8.3
161.05946	7.3
162.06761	5.8
163.03914	1.4
163.07535	41.8
164.04700	2.0
164.08252	5.4
165.05482	22.0
165.06905	0.9
165.09126	10.9
166.06122	1.6
166.07681	0.9
167.07040	12.8
167.08334	1.1
168.07399	0.9
174.06822	1.1
175.07607	4.0
177.05464	34.8
177.09048	9.4
178.09879	100.0
179.07057	7.7
179.08571	1.5
179.10452	8.9
180.07787	1.1
181.04955	1.3
181.06490	1.4
181.08569	7.2
181.10007	1.2
183.06573	4.2
183.07945	0.9
187.07523	17.2
189.07516	1.0
189.09099	6.1
190.06261	1.3
191.07007	10.2
191.10655	1.7
193.08563	6.8
194.09396	3.3
195.08299	1.6
195.10179	5.3
195.95961	0.8
197.06100	0.9
197.08041	1.8
197.09729	1.0
205.06665	1.7
205.08582	27.1
206.08951	1.8
207.10133	1.4
209.08057	17.2
211.07481	1.4
213.09108	0.9
213.12732	1.2
217.08617	0.9
219.06531	1.1
219.10156	2.0
223.09586	10.8
224.08170	0.8
225.09129	1.8
227.07242	0.9
227.10625	0.8
230.65872	0.8
235.07516	1.4
236.08292	0.9
237.11220	1.5
239.06960	0.9
239.10626	1.0
241.04950	1.8
253.08696	1.6
257.08051	1.2
257.11841	1.4
267.10059	1.0
269.11768	1.0
273.11185	1.7
283.09656	2.9
283.13016	1.5
285.11176	5.5
286.11691	1.1
297.11108	1.5
299.09229	1.7
299.12637	1.0
311.12741	0.9
315.12216	5.0
317.13730	1.2
325.10730	1.1
325.14316	2.1
343.11722	1.8
343.15369	6.2
343.19159	1.6
361.08780	1.0
361.12756	2.3
361.16531	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	361.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.6
55.01881	6.3
65.03932	8.2
67.05506	10.2
67.85162	3.2
69.03439	5.0
69.49551	8.3
69.49963	10.8
70.06557	5.4
73.02915	4.2
75.04453	3.2
79.05502	17.0
81.07065	10.3
83.04987	3.6
91.05466	33.3
93.03458	4.8
93.07037	19.4
95.04974	11.8
95.08627	4.4
103.05452	16.7
105.07024	22.1
105.07633	3.2
107.04984	27.3
109.06524	9.5
110.05970	3.5
115.05480	11.3
116.06299	3.9
117.07040	10.5
119.04965	8.2
119.08548	4.8
121.06528	22.1
122.03624	7.3
122.06030	8.8
123.04430	12.5
124.05231	5.4
125.05988	5.5
128.06236	8.1
128.66231	3.3
129.07024	21.6
131.04933	9.0
131.08586	12.9
133.02843	20.4
133.06480	12.7
133.10141	5.5
135.04413	6.5
135.08078	11.0
137.05972	49.5
140.07068	4.4
141.06970	4.0
142.08653	10.7
143.08568	7.5
145.06523	7.5
145.10065	5.5
146.03648	3.7
147.04404	12.4
147.07976	3.7
149.06000	10.2
150.06718	5.2
151.03893	14.5
151.07556	25.3
153.05431	16.0
153.07007	5.7
157.06438	16.8
159.08092	6.4
160.03928	5.1
161.04709	7.6
161.05942	46.6
161.09656	13.3
162.06735	4.1
163.07541	100.0
164.07867	5.0
165.05473	9.7
165.07027	11.4
165.09114	7.5
167.07033	84.0
167.08463	7.9
171.07945	4.2
174.06711	5.9
175.07646	6.6
177.05429	3.8
177.07016	3.7
177.09097	11.2
178.07713	4.3
179.07030	8.2
179.08551	6.8
179.10635	3.6
181.05064	8.0
181.06493	6.6
181.06783	7.0
181.08592	73.8
182.07242	7.1
183.08260	3.7
187.07562	4.4
187.14827	6.6
188.03413	36.5
189.09114	80.3
191.06990	3.9
193.08589	33.1
193.10110	6.0
195.08078	9.2
196.08728	4.9
197.06058	4.2
197.09619	7.4
199.07614	4.8
206.04491	12.0
207.10124	17.9
210.06807	5.0
211.07600	6.5
221.06151	3.8
223.07478	12.8
225.05461	4.5
225.09111	13.6
227.07016	6.0
235.07515	4.4
236.08186	6.2
239.06950	9.1
239.10802	3.5
249.84154	3.4
253.08560	7.0
254.09372	4.5
255.10106	7.4
257.11749	15.2
265.08447	3.7
269.08096	5.7
271.09729	5.2
271.13275	3.6
279.10226	6.2
283.09778	13.3
283.13193	5.7
285.11096	26.8
297.07501	8.2
299.09277	5.4
299.12781	5.4
315.12238	12.5
317.13892	14.1
325.10825	3.7
329.11334	14.6
343.11746	4.2
343.15430	9.3
362.19745	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	361.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.2
54.58009	2.1
55.01846	3.4
55.58810	2.2
59.99465	2.2
63.02716	2.5
67.05528	3.3
69.03383	2.6
69.37968	11.2
69.38374	4.7
79.05486	18.4
81.03391	3.0
81.07048	6.8
89.42596	2.5
91.05473	32.3
93.07049	15.8
95.04959	7.9
95.08659	2.8
98.22493	3.3
103.05465	18.2
105.07014	22.6
107.04949	32.4
107.08569	3.3
109.02893	5.6
109.06476	5.1
115.05451	5.8
116.13262	2.8
117.07012	7.9
118.95617	2.5
119.04925	8.6
119.08578	4.5
120.05766	3.5
121.06510	20.8
123.04419	10.9
124.05250	4.1
125.06002	2.8
128.06224	10.5
129.06992	27.0
131.04913	12.7
131.08533	11.3
133.02832	5.4
133.06474	8.9
135.04430	4.6
135.08025	11.6
137.05983	45.0
138.06744	2.7
139.03886	2.8
141.06982	2.4
145.06439	6.5
147.04396	9.0
147.08032	2.8
148.05173	3.1
149.06001	6.6
151.03909	9.5
151.07538	26.7
152.04686	5.2
153.05496	17.8
153.06633	3.2
154.07765	3.2
155.70940	2.5
157.06491	20.5
159.07993	5.5
161.05977	47.9
161.09628	13.9
162.06496	3.8
162.69818	2.5
163.07526	49.4
165.05594	2.9
165.07030	7.8
165.09117	8.2
166.06239	9.9
166.07701	4.3
167.07057	77.4
167.08458	6.5
174.06738	11.5
175.07530	8.8
175.14806	3.4
177.06973	4.1
177.09122	12.6
179.07068	6.9
179.08517	5.1
180.06004	2.9
180.07748	4.1
181.05038	5.2
181.06586	7.3
181.08580	100.0
182.07306	3.8
182.08853	3.5
183.08093	2.8
189.05489	4.2
189.09100	81.5
189.10826	5.0
190.09502	3.9
191.06938	2.5
191.08611	4.1
191.10612	2.8
193.06522	4.2
193.08591	10.4
194.07236	6.0
195.07994	13.0
197.05989	3.8
197.09634	8.9
199.07506	5.9
207.08217	5.3
207.10168	16.8
208.08728	6.2
209.09616	5.1
210.06781	8.0
211.07535	4.2
212.08192	2.9
219.08055	4.1
221.05998	4.0
223.07549	10.1
223.11162	2.8
225.09087	18.8
227.07019	9.9
229.12163	3.4
235.07481	3.0
236.08247	6.0
237.09042	3.9
238.06248	5.1
239.06894	5.6
239.10655	5.2
240.07820	4.0
241.08669	4.6
251.07065	6.0
251.10542	5.3
252.07632	2.8
253.08537	15.7
255.06509	4.7
255.10095	8.6
257.11780	15.0
265.08691	2.8
268.07254	3.6
269.08139	6.6
271.09464	3.7
279.10144	7.5
281.08075	3.1
283.09637	12.3
283.13248	9.4
285.07922	2.9
285.11182	33.7
286.11554	2.8
287.12720	6.4
297.11182	3.8
299.12817	5.4
302.11313	3.6
311.12766	3.5
315.09116	3.5
315.12253	17.5
317.13858	15.2
329.13647	3.2
331.15228	4.5
343.15344	9.6
361.16525	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	361.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28664	4.3
53.03943	5.4
58.64911	4.8
71.17892	10.0
79.05490	16.0
81.07047	7.0
91.05466	40.1
92.70844	4.3
93.07052	20.1
95.04961	8.0
103.05466	19.7
105.07042	19.7
107.04958	53.7
109.02840	5.6
115.05469	11.9
116.06228	7.1
117.06996	10.4
119.04916	14.4
121.06540	29.1
122.03586	6.4
123.04372	8.5
124.05214	6.0
128.06235	9.3
129.06996	25.8
129.58490	5.1
131.04929	15.5
131.08591	13.8
133.06490	9.3
135.08099	13.0
136.90964	5.0
137.05988	74.3
141.07037	7.4
145.06476	8.0
146.07254	7.4
147.04410	14.3
147.08041	7.0
148.05208	8.2
149.05957	16.4
151.03905	28.1
151.07532	45.9
153.05470	14.6
157.06497	22.9
161.05956	71.8
161.09659	19.5
162.29599	4.6
163.07556	43.1
165.05614	7.4
165.07011	18.2
165.09111	18.1
166.06290	8.4
166.07819	4.8
167.07053	60.4
167.08511	10.4
174.06693	10.7
175.07541	9.0
177.05566	9.0
177.07047	5.7
177.09149	14.6
179.07072	5.6
179.08530	10.4
180.07785	10.1
181.08575	99.3
181.10051	6.3
182.07220	8.2
189.09096	91.2
191.08546	6.0
194.07333	7.3
195.08131	10.3
197.09601	11.0
207.08185	8.0
207.10126	36.3
210.06734	8.7
211.07486	8.9
219.08095	6.9
223.07501	12.5
225.09062	11.2
227.10654	5.9
229.12367	11.7
235.07558	5.7
237.09259	6.0
242.09419	6.6
251.06885	6.0
253.08630	21.5
255.10178	11.5
257.11743	15.7
260.03241	6.1
267.10239	9.1
275.05377	9.6
283.09729	11.4
283.13306	11.4
285.11270	34.6
287.12750	15.3
303.04996	20.4
315.12180	15.3
317.13931	18.7
331.04309	29.7
331.15265	10.4
343.15302	9.8
346.06799	47.4
361.05121	8.2
361.09216	100.0
361.16086	7.1
362.09671	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	361.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.3
55.01871	7.8
55.05498	1.5
57.03412	2.9
63.55850	1.3
65.03929	3.4
67.05494	3.8
69.03448	2.4
77.03960	1.6
78.04693	2.4
79.05497	19.0
81.03423	3.5
81.07057	3.3
91.05482	58.2
92.05795	1.9
93.07040	13.0
94.04176	2.7
95.04964	10.7
95.08646	1.9
97.06527	1.6
103.05468	81.7
105.04493	2.3
105.07030	29.6
106.04146	1.7
107.04958	68.4
107.08595	2.8
108.05748	5.0
109.02885	3.1
109.06512	9.4
111.04482	1.8
115.05450	10.4
116.06189	1.8
117.07038	5.2
118.04153	3.2
119.04942	35.3
119.08522	2.1
120.05699	4.4
121.06499	23.0
122.03680	3.8
122.06760	1.6
123.04403	9.6
123.08070	7.1
124.05202	3.6
125.05994	6.1
128.06210	7.1
129.06979	15.8
131.04921	29.3
131.08565	8.7
132.05678	3.8
133.02841	2.2
133.06487	11.6
133.81384	1.6
135.04404	2.1
135.08046	22.5
136.05197	6.0
137.05975	71.9
138.06577	2.0
141.07016	2.5
143.04878	1.9
144.05634	1.9
145.06499	5.7
146.07243	2.5
147.04405	29.8
147.08067	1.9
148.05116	3.3
149.05978	26.9
150.06729	3.5
151.03917	5.7
151.07538	49.4
152.04619	2.8
153.05482	23.1
157.06496	11.5
159.08102	7.3
160.05202	3.9
161.05969	21.0
161.09633	6.0
162.06761	2.4
163.07533	74.4
164.04710	2.4
164.08348	19.0
165.05476	7.9
165.07021	5.5
165.09105	15.3
166.06270	6.4
167.07059	33.4
167.08498	3.2
169.06468	5.1
169.08655	3.4
174.06702	9.7
175.07535	19.5
176.04770	2.3
176.08057	2.1
177.09021	7.5
178.07796	2.9
179.07036	100.0
179.08440	5.4
180.07634	3.2
181.05064	2.7
181.06552	3.1
181.08592	70.4
182.07306	3.8
182.08919	2.0
183.08057	2.7
187.07544	21.3
189.09084	39.6
190.09465	2.3
191.07025	20.7
191.08568	2.6
191.10617	1.8
193.06670	3.4
193.08611	4.2
193.10255	2.2
194.07347	2.0
195.08011	8.6
196.08693	3.0
197.08081	40.2
197.09679	3.8
198.08350	1.8
199.07588	3.0
201.09117	4.1
204.07932	2.1
205.06714	1.9
205.08595	6.6
207.08102	4.8
207.10181	6.6
208.08762	2.3
210.06755	3.2
211.07576	3.0
212.08336	2.2
219.08205	2.5
219.10143	13.6
221.05942	2.9
223.07506	5.4
223.09512	26.7
224.10120	1.7
225.09041	7.3
227.07111	2.6
235.07516	3.4
237.05396	1.6
237.09030	2.1
237.11186	13.6
239.10600	3.1
240.07748	3.8
241.08653	2.7
247.07529	2.1
251.07085	2.5
251.10605	2.5
253.08522	7.6
254.09407	2.1
255.10036	2.1
257.11627	7.4
267.10144	2.5
269.08084	2.9
279.10184	3.2
281.08139	1.7
281.11658	3.5
283.09662	7.2
283.13162	3.3
284.10275	2.4
285.11179	18.1
293.11621	2.2
297.11069	3.0
299.12753	12.5
311.12808	2.2
313.14307	2.4
315.12305	18.7
316.12421	2.4
317.13837	7.2
325.14383	4.0
343.15323	6.5
361.16281	8.1
380.33148	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1644
Annotation	Dibenzo-18-crown-6
Peak:m/z	Relative Intensity
50.85275	0.5
53.03941	1.2
55.01867	0.7
55.05494	1.4
57.02428	0.5
59.04966	0.5
65.03926	1.0
67.05499	2.7
69.03069	0.6
69.03430	7.9
69.07068	1.1
70.63689	1.1
71.04987	3.4
79.05482	2.1
81.03416	1.8
81.07052	2.9
81.91984	0.5
83.04967	0.5
85.06517	0.9
87.04460	0.6
91.05487	4.6
93.03407	0.8
93.07041	3.1
95.04962	2.6
95.08609	3.2
97.06532	0.9
103.05461	2.2
105.07018	4.3
107.04942	2.5
107.08587	3.0
107.58224	0.5
108.37463	0.5
109.02893	2.1
109.06513	1.8
109.10149	2.1
111.04457	0.5
111.08035	0.8
113.05973	1.1
113.09632	0.9
117.06989	1.5
119.04942	1.2
119.08630	3.4
121.06498	2.5
121.10148	1.2
123.04433	16.1
123.08064	1.3
123.30467	0.5
124.04713	0.7
125.05986	0.7
125.09577	0.6
128.06213	0.8
129.06982	1.8
131.04951	1.0
131.08582	1.4
133.06490	2.5
133.10109	1.3
135.04417	0.7
135.08017	0.9
135.11702	0.7
136.05109	0.5
137.05963	2.7
137.09625	1.4
139.07582	0.7
141.06978	0.6
142.07800	0.6
143.08553	1.0
145.06497	1.0
145.10100	1.1
147.03384	0.5
147.04378	2.5
147.08055	3.7
147.11655	1.3
149.05969	2.3
149.09612	0.6
151.03894	4.9
151.07542	5.1
151.11211	0.6
152.04633	0.5
153.05496	3.5
155.08522	0.7
156.09325	0.8
157.06543	0.9
157.10165	1.2
159.08066	1.2
161.05978	4.7
161.09631	3.0
161.13307	0.8
162.06712	0.5
163.03917	1.2
163.07564	4.3
164.08205	0.7
165.05489	1.3
165.06891	0.7
165.09137	1.7
165.12692	0.9
167.03418	5.3
167.07072	4.6
171.11562	0.8
173.09679	0.8
174.06807	0.4
175.07538	13.7
175.11162	1.7
176.08148	1.1
177.05463	3.1
177.09084	1.4
178.09863	2.1
179.07034	2.6
179.10664	4.6
181.04930	1.2
181.08612	4.3
185.09662	0.9
187.07497	0.9
187.11185	0.8
189.09081	3.6
189.12683	0.7
190.19168	0.5
191.07079	1.7
193.08589	7.8
193.10222	0.9
193.12300	1.1
194.08961	0.5
195.08064	0.9
195.11696	0.6
197.09628	0.5
199.07573	0.6
199.11203	1.3
201.09148	0.7
201.12743	1.6
203.07022	17.5
203.10690	3.2
204.07396	0.8
205.04968	0.7
205.08578	1.5
207.06508	1.3
207.10158	3.0
209.04510	1.5
209.07976	0.6
211.11237	0.8
213.08994	0.7
214.09772	0.8
217.12209	2.4
219.10030	1.1
221.08083	11.5
221.11583	4.8
222.08321	0.7
225.09044	1.0
227.10683	2.2
229.12222	4.0
231.10220	1.8
241.08498	0.6
245.11722	3.2
247.13335	1.4
249.11214	2.7
253.08607	0.7
255.10130	3.6
257.11740	0.7
263.12778	4.6
269.04300	0.7
273.08450	0.8
273.11154	4.3
283.09747	0.7
283.12997	0.5
285.11288	0.9
287.09036	0.7
287.16431	0.7
291.12308	3.7
297.14771	1.2
301.07068	1.4
301.10489	0.5
301.14365	1.0
314.04272	1.3
315.08847	0.6
315.12436	0.9
315.15918	2.7
317.06583	1.7
325.14291	1.4
328.01755	0.5
329.06570	2.6
333.16855	0.5
343.11743	1.1
343.15417	11.7
343.18970	0.6
344.15598	0.8
346.06754	2.1
361.09143	11.5
361.16428	100.0
362.09509	0.7
362.16757	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1644
Annotation	Dibenzo-18-crown-6
Peak:m/z	Relative Intensity
53.03936	2.0
53.24236	1.7
55.01863	4.0
55.05498	6.6
57.03440	2.3
57.07056	4.1
57.58502	1.6
65.03927	2.0
67.05489	6.0
69.03419	5.1
69.05579	16.5
69.07078	9.8
71.04981	2.7
79.05474	7.3
81.03397	2.2
81.07043	7.2
83.04961	2.7
83.08582	3.6
84.34022	1.6
85.06561	1.7
91.05470	19.9
93.07053	9.9
95.04961	5.1
95.08589	6.1
97.06536	3.1
97.10161	2.4
103.05460	4.2
105.07051	14.5
107.04974	3.3
107.08598	18.8
109.06527	3.8
109.10139	4.2
115.23842	1.6
116.06182	3.7
117.06995	2.5
119.04938	7.1
119.08557	7.8
121.06494	5.0
121.10147	13.7
122.03578	2.4
125.05994	3.8
129.06963	3.3
131.04892	3.7
131.08571	28.7
133.10127	43.0
134.10428	3.9
135.04480	1.9
135.08063	8.6
135.11703	2.2
137.05963	40.9
143.08624	2.3
145.06509	3.5
145.10074	3.2
149.05937	5.3
149.09607	14.0
151.03925	23.5
151.05051	3.4
151.07539	24.8
151.11176	4.0
152.07921	1.9
153.01794	2.0
153.05548	2.6
153.06932	3.8
153.09183	2.4
157.06465	3.4
159.08063	38.7
160.08426	2.9
161.05972	5.8
161.09637	4.9
163.07501	12.6
164.08157	1.8
165.05559	3.3
165.06989	7.4
165.09105	7.6
166.07706	8.5
167.08565	6.1
171.08147	1.9
174.06741	2.0
175.07539	5.5
177.05508	6.3
177.09093	14.8
179.06956	1.9
179.08498	2.2
180.09302	13.8
181.06442	7.0
181.08539	2.7
181.10072	19.4
185.09587	3.5
187.07542	6.7
189.05405	5.0
189.09061	5.0
190.06230	3.6
191.06973	5.6
191.10651	32.7
193.08611	2.2
194.07211	3.0
195.08130	9.8
195.10126	2.7
195.11688	19.1
197.05905	3.1
199.07481	2.4
199.11221	4.0
201.09174	11.7
203.06961	9.4
205.08554	15.6
205.10178	2.7
208.08836	9.6
209.09624	77.6
210.10033	5.0
211.07533	8.4
212.04622	2.6
212.08298	2.4
213.05440	3.7
213.09030	4.9
215.10675	4.4
217.04915	2.4
217.08556	4.0
222.10330	2.4
223.09738	4.3
223.11279	35.0
224.08194	1.9
224.11684	2.9
225.09070	9.9
226.09862	8.2
227.07050	17.2
227.10629	8.0
228.07549	3.9
229.08600	4.1
233.09380	2.3
236.08327	3.0
237.09019	6.3
238.09790	2.2
239.06995	7.0
239.10648	3.7
240.07729	6.2
240.11481	5.9
241.08553	12.9
241.12207	49.5
242.12796	3.6
243.10127	3.1
250.09920	2.8
251.10719	14.9
252.11285	3.0
253.08649	3.9
254.09375	25.8
255.06810	2.0
255.09930	7.7
255.13782	36.1
256.14163	3.0
259.09735	2.2
259.13229	17.8
263.06967	2.3
265.12186	12.9
267.13730	3.2
268.10983	6.9
269.08572	2.3
269.11703	58.2
270.12048	3.4
278.09512	3.0
279.10101	3.1
283.13263	100.0
284.13574	8.0
285.14844	17.6
287.12775	19.7
293.11719	3.1
296.10382	4.3
301.14328	10.1
311.12735	85.6
312.12997	6.0
315.15915	38.9
316.16214	2.8
325.18051	3.2
327.12213	3.7
329.13843	13.0
335.25275	2.6
343.15274	17.5
343.19052	15.8
361.16196	6.2
361.20099	9.0
361.24045	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	361.1645
Annotation	Saccharothrixin B
Peak:m/z	Relative Intensity
51.24711	5.0
52.18222	5.7
55.01873	7.8
55.05511	12.7
63.16058	5.0
67.05496	17.5
69.07063	10.9
71.32280	6.5
79.05490	19.5
80.93523	6.3
81.03445	8.8
81.07063	23.0
83.04977	7.5
91.05460	31.8
93.07042	23.9
95.04962	12.5
95.08599	22.4
103.05491	8.4
105.07023	15.7
107.04955	8.7
107.08592	11.1
109.02863	8.9
109.06540	14.8
109.10127	11.4
110.67953	6.8
111.04391	6.1
115.05457	6.5
119.04932	6.6
119.08585	14.7
121.06505	16.0
121.10214	5.9
123.04418	6.4
123.08081	10.2
129.07027	7.4
131.08614	12.7
133.06461	7.3
133.10132	8.4
137.05957	30.5
145.06407	10.4
145.10141	18.4
147.04437	13.6
148.46812	6.0
149.05965	12.2
151.03917	31.2
151.07573	18.0
153.05510	15.5
153.07036	5.6
153.08722	6.7
157.06502	6.7
159.08040	11.0
159.10342	6.5
159.11632	6.5
161.06020	6.5
161.09624	7.1
163.07539	17.5
165.06969	9.1
165.09180	6.7
167.07077	24.7
167.08455	6.3
173.09605	9.7
175.07646	8.9
177.05399	6.4
177.09106	13.9
179.07063	12.5
180.09473	6.6
181.06520	8.0
181.10069	14.2
187.07570	9.4
188.08359	9.1
189.09100	15.4
195.08043	10.6
196.08794	7.1
197.09631	7.1
201.09068	8.8
202.09969	7.6
203.10701	24.3
205.10342	10.7
205.12312	21.0
208.08797	13.5
209.09746	31.4
210.06726	6.1
211.07582	9.8
212.08377	10.1
213.09012	7.6
215.10597	6.4
218.07196	8.1
219.08202	7.0
221.05946	5.9
222.06616	7.5
222.10352	10.4
223.11238	27.8
225.09128	22.4
227.07132	12.2
227.10660	23.7
233.09560	38.8
235.07558	18.6
236.08490	12.8
237.05435	8.5
237.09125	17.4
241.04990	10.0
241.12218	29.8
250.09938	18.6
251.10690	44.3
252.11552	5.7
255.06454	15.6
255.13792	19.2
259.05902	6.7
261.09216	11.8
265.12180	69.6
269.11731	12.5
271.09698	13.6
275.10843	5.9
278.09512	12.4
279.10211	30.7
283.10107	10.3
283.13275	65.7
285.11575	7.0
285.14804	12.5
293.08459	8.8
293.11658	54.4
294.12112	7.4
299.09131	7.4
301.14291	33.2
311.12787	100.0
312.13101	10.2
329.13873	24.9
343.11349	7.4
343.15308	7.0
343.18997	10.1
361.16360	10.9
361.23566	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	361.1644
Annotation	Dibenzo-18-crown-6
Peak:m/z	Relative Intensity
53.03938	0.8
55.01875	1.9
55.05495	0.5
55.91624	0.3
56.26475	0.3
56.60583	0.4
57.03426	0.9
65.03942	1.1
67.05499	1.7
69.07056	0.6
69.45438	0.9
69.45843	1.6
77.03923	0.6
79.05493	3.6
81.03416	1.6
81.07075	2.0
83.04996	0.5
91.05474	9.6
92.00670	0.4
93.03380	0.8
93.07052	2.2
95.04964	1.7
95.08593	1.0
97.06511	0.8
98.22549	0.5
103.05471	14.9
105.04515	0.7
105.07031	4.6
107.04957	8.7
107.08580	1.1
108.05711	0.4
109.02885	2.9
109.06508	1.4
109.10166	0.7
109.29056	0.4
110.03695	0.6
111.04389	0.7
115.05448	1.8
115.86716	0.4
116.06271	0.4
117.07011	2.4
118.93451	0.3
119.04945	7.2
119.08602	0.7
120.05756	0.5
121.06505	6.0
123.04437	0.9
123.08053	1.3
123.08903	0.4
123.11722	0.5
125.06011	2.9
129.06972	0.8
131.04933	7.5
131.08551	0.8
132.05702	0.6
133.06496	2.0
135.04410	1.6
135.08047	5.0
136.05162	1.2
137.05978	13.6
137.09668	0.4
138.06384	0.5
145.06567	1.9
145.07549	0.7
146.07274	0.5
147.04413	7.2
147.08064	0.4
148.05095	0.6
149.05978	22.5
150.06364	0.8
151.03908	8.3
151.04984	0.9
151.07539	8.2
153.05460	5.2
153.09038	0.4
155.86720	0.4
157.06564	0.5
159.08022	1.7
161.05966	2.1
163.07544	13.7
164.08339	4.5
165.05446	1.9
165.06941	0.9
165.09111	2.6
167.07071	2.7
167.08377	0.8
173.05928	0.8
175.07590	1.0
177.05489	3.6
177.09193	0.7
178.09880	2.0
179.07037	16.9
179.08595	1.1
180.07518	1.2
181.05009	0.7
181.08572	5.9
183.06563	0.6
183.10114	0.5
187.07571	3.5
189.09109	1.7
191.07028	100.0
192.07362	4.8
193.08623	0.9
195.08064	0.9
197.08063	7.0
201.05484	0.6
201.09000	0.5
205.06952	0.4
205.08604	3.1
208.57936	0.4
209.08069	3.9
209.09854	0.6
211.07439	0.7
213.05481	0.8
219.06500	7.6
219.10014	3.1
220.06813	0.5
222.06613	0.5
223.07512	1.6
223.09659	5.2
225.09052	0.6
227.07135	0.5
236.08142	0.7
237.07324	0.6
237.09212	0.6
237.11172	2.6
239.06839	0.5
240.07899	0.4
241.04950	1.7
242.05672	0.5
247.09666	0.6
250.06096	0.6
251.07004	1.4
253.08707	0.7
254.09111	0.7
257.08105	0.6
265.08466	1.0
267.06351	0.6
268.07281	1.2
270.08981	0.5
273.07507	0.6
279.10309	0.5
281.08121	0.6
283.09641	4.5
284.10385	0.5
285.11130	1.3
293.07941	0.7
297.11142	0.5
297.90503	0.4
310.08289	1.5
315.12204	1.8
325.10721	7.1
325.14301	0.9
326.11331	0.5
342.72516	0.4
343.11703	3.9
343.15378	5.0
343.21939	0.5
352.22803	0.6
360.73367	1.3
361.12836	2.6
361.16660	0.9
361.22910	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.8
53.03936	4.0
53.36161	1.6
55.01873	5.6
55.05508	2.0
57.03441	2.1
65.03955	2.3
67.05508	4.9
67.69440	1.4
69.03419	2.8
69.03873	8.9
69.04292	5.1
69.07058	2.0
79.05493	15.2
80.06269	2.1
81.03429	2.5
81.07056	4.5
83.05035	1.8
85.02905	4.1
90.69952	1.5
91.05483	37.2
93.03404	2.3
93.07049	11.6
95.04970	7.7
95.08628	3.4
98.71329	1.6
103.05469	53.3
105.07035	19.6
107.04949	54.4
107.08620	2.3
108.05737	3.8
109.02896	6.6
109.06535	6.6
111.04475	2.1
115.05472	8.6
117.07043	4.2
119.04949	31.5
119.08630	2.1
120.05720	1.7
121.06504	10.7
122.03677	3.5
123.04423	4.7
123.08065	8.0
125.05975	7.4
129.07008	4.2
131.04930	26.2
131.08569	5.8
132.05754	2.1
133.06485	13.8
135.04451	3.6
135.08052	20.9
135.24617	1.5
136.05203	6.2
137.05974	64.0
138.06264	2.5
139.03958	2.1
139.07539	2.2
139.18726	1.6
141.06978	2.5
145.06503	5.8
145.07585	2.3
147.04402	45.0
148.05042	2.1
149.05980	16.7
151.03909	36.2
151.04974	3.1
151.07539	43.0
153.05473	19.7
157.06514	2.7
157.10205	2.0
159.08072	6.4
161.05977	25.1
162.06624	2.7
163.03877	2.0
163.07538	72.9
164.08347	27.0
165.05449	10.3
165.09070	4.6
167.07057	11.3
167.08409	2.3
169.06401	2.4
175.07558	6.7
176.04855	2.5
177.05438	6.3
177.09137	3.8
178.06187	1.6
179.07027	100.0
180.07712	7.9
181.06834	2.1
181.08592	20.8
187.07564	24.6
189.09128	5.5
191.07040	26.6
191.08690	2.1
191.10677	2.3
193.08647	6.5
195.08081	1.9
197.08081	39.0
197.09879	2.2
199.07487	3.1
201.09169	3.3
203.07039	7.0
205.08598	9.5
219.10188	15.9
223.07639	2.5
223.09610	18.4
237.09042	2.1
237.11127	13.7
247.07552	2.3
251.06998	3.5
267.09961	2.0
279.10153	1.9
283.09637	2.9
290.48584	1.8
297.11099	1.9
301.10718	2.1
307.09677	7.5
315.12323	9.8
319.26672	1.7
325.10858	3.2
325.14404	3.6
343.11594	2.6
343.15540	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	361.1832
Annotation	Asp Arg Ala
Peak:m/z	Relative Intensity
53.03947	0.5
55.01844	0.4
55.05509	0.7
57.03436	0.8
61.02928	0.6
61.78099	0.4
66.97848	0.5
67.05498	0.7
69.03423	2.7
69.62669	2.4
71.04985	0.6
73.02901	0.5
76.68181	0.5
79.05503	1.1
81.03425	1.4
81.07071	0.6
85.02903	6.1
86.09688	0.5
90.75191	0.5
91.05487	1.3
93.07061	1.5
95.04981	0.7
95.08607	0.5
97.02904	2.8
99.04476	1.0
105.07062	1.1
107.04980	1.6
107.08609	1.1
108.05307	1.0
109.02907	1.1
118.50295	0.5
121.06507	1.7
121.10144	0.6
123.04435	11.6
127.03920	1.3
135.08020	1.1
137.05983	3.5
144.53922	0.6
145.04974	1.5
145.06551	0.6
147.04420	1.3
149.05997	0.6
151.03909	1.0
151.07611	0.6
153.05511	0.7
153.09128	0.9
161.05991	0.5
163.03963	0.5
163.07623	1.1
165.05460	8.2
165.06790	0.6
165.09071	0.5
167.07059	1.5
181.08633	1.5
182.08966	1.9
183.06544	1.0
191.07072	1.9
192.07394	2.3
199.13321	0.5
200.10808	0.7
208.09753	1.7
209.10059	1.9
267.18198	0.5
341.05811	0.5
361.14590	9.0
361.18356	100.0
362.14893	0.6
362.18713	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2008
Annotation	Cyclocoulterone
Peak:m/z	Relative Intensity
53.03928	4.1
55.01867	1.6
55.05500	5.2
57.07053	1.6
59.04993	1.5
65.03942	1.9
67.05511	13.7
68.99786	1.3
69.03444	8.4
69.03789	1.9
69.06725	1.3
69.07075	19.4
71.04995	13.4
73.54221	1.2
79.05494	9.8
79.05868	1.7
81.07057	17.3
83.01333	13.1
83.04976	1.8
83.08591	2.4
85.06555	1.8
91.05473	22.2
93.07043	54.8
95.04975	7.7
95.08603	15.7
97.06513	3.9
103.05432	1.4
105.07030	32.5
107.04953	1.6
107.08590	67.8
108.08922	1.8
109.06516	5.2
109.10157	22.9
111.08044	1.6
113.05980	5.8
115.05396	1.9
117.07006	3.7
119.04906	1.4
119.08566	10.5
121.06497	11.0
121.10144	10.7
123.04426	2.6
123.08046	4.1
123.11693	6.7
125.02345	1.4
125.06015	1.8
125.09611	3.3
128.06133	1.3
129.06982	2.1
131.08560	11.8
133.06502	3.7
133.10130	40.4
134.12717	1.3
135.08069	14.2
135.11671	4.2
137.06009	9.1
137.09604	2.1
139.07532	1.8
141.05536	2.1
142.07655	1.7
143.08571	4.9
145.06468	3.2
145.10106	6.8
147.08035	3.5
147.11671	7.3
149.05984	8.2
149.09601	6.8
151.03969	1.7
151.07593	3.5
151.11177	27.7
151.12291	2.4
152.48999	1.5
153.05473	37.0
154.05846	1.6
155.08488	1.5
157.10144	4.7
159.04289	1.3
159.08069	11.6
159.11646	4.3
160.08800	1.6
161.05971	3.8
161.09610	6.0
161.13266	1.9
162.06761	7.9
163.07547	14.3
165.05467	5.0
165.09111	3.9
167.07018	5.8
167.08409	2.1
169.04977	2.8
169.08670	1.5
169.10094	1.5
171.08064	2.6
171.11592	1.3
173.05934	3.3
173.09634	5.4
174.06805	3.0
175.07526	10.3
175.11125	7.6
175.14838	2.2
176.08304	1.7
177.05493	8.4
177.09081	22.3
179.07103	6.8
179.08449	2.0
181.08652	1.8
185.13213	2.0
186.06824	1.3
187.07524	8.0
187.11177	3.8
187.14836	4.9
188.11777	2.0
189.09082	21.5
189.12695	3.1
190.06268	1.5
190.09648	2.9
191.07031	23.2
191.10657	5.5
192.07776	10.7
193.08575	11.3
193.10080	2.0
195.06448	2.7
195.11708	2.3
197.09619	2.5
199.07602	1.8
199.11201	2.3
201.09093	5.0
202.09790	2.3
203.06949	2.2
203.10657	4.7
203.14293	10.2
205.08595	94.3
206.08926	5.0
209.08055	3.9
211.07776	2.2
211.09537	8.4
213.09088	3.9
213.12727	7.1
215.10611	6.8
215.45279	1.4
217.08563	7.0
219.10229	7.9
221.08118	6.6
223.09634	73.1
224.10004	4.1
225.09180	2.9
227.10646	4.1
229.08617	18.3
229.12225	2.1
231.10208	10.9
231.13788	36.9
232.14191	1.7
233.11708	5.8
235.09665	5.5
237.11143	2.9
240.11391	1.8
241.12172	2.9
243.10162	11.5
245.11678	2.4
247.09637	14.8
247.13472	1.6
249.11050	3.0
255.10115	4.2
255.13876	4.9
256.10806	2.1
257.11688	6.7
257.15265	2.0
261.11185	21.1
263.12711	5.1
265.12067	2.1
267.10202	3.6
267.13702	3.3
268.10776	2.0
269.11783	6.6
270.12396	2.1
273.14835	56.3
274.15216	5.2
275.12943	2.8
279.12512	1.9
282.12369	3.2
283.13443	6.8
283.16342	2.0
285.14853	6.3
287.12726	5.1
291.15845	16.9
292.14487	1.6
293.36063	1.4
297.18436	2.6
300.13528	1.6
301.14410	3.0
301.17719	1.9
303.15933	6.3
305.13831	3.2
307.16852	4.7
325.17944	25.8
326.18369	2.3
343.19031	100.0
344.19373	10.1
361.15579	2.5
361.20065	31.4
361.31046	1.4
362.20300	3.7
381.19925	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2008
Annotation	Cyclocoulterone
Peak:m/z	Relative Intensity
53.03949	3.1
55.01871	1.7
55.05508	5.8
56.25720	0.8
57.03440	2.2
57.07072	1.5
58.41733	0.9
61.39410	0.8
61.89349	0.9
65.03931	1.7
65.87907	0.9
67.05160	1.9
67.05500	14.0
69.03429	5.4
69.07066	7.3
71.04990	11.9
73.78146	1.1
77.03943	0.9
79.05497	10.6
81.03435	1.4
81.07056	12.4
83.01349	13.1
83.08627	3.7
85.06553	1.5
91.05476	28.0
93.07043	67.3
94.07395	1.7
95.04961	6.3
95.08607	9.7
97.06510	1.1
102.58060	1.0
103.05495	1.2
105.04548	1.2
105.07024	31.9
107.04964	1.4
107.08592	86.2
108.08957	2.5
109.06521	7.6
109.10153	22.7
110.10541	1.3
111.04492	1.2
113.06020	4.6
115.05409	1.2
117.07041	4.0
119.06067	2.2
119.08611	6.3
121.06493	9.8
121.10154	7.9
123.04449	1.8
123.08097	3.3
123.11728	3.2
125.05969	2.2
125.09669	2.7
128.06226	1.2
129.07013	2.1
131.05019	1.7
131.08542	7.6
133.06490	1.5
133.10130	44.3
134.10501	2.3
135.08054	14.3
135.11737	2.4
136.08351	1.0
137.05930	5.8
139.07555	1.2
141.05446	2.0
143.08578	2.1
145.06483	1.3
145.10135	4.1
147.08060	3.3
147.11685	2.8
149.05972	4.9
149.09619	9.5
151.03893	1.5
151.07562	2.9
151.11179	31.6
152.11478	1.6
153.05467	41.6
155.08536	1.2
157.10233	1.4
159.08031	10.3
159.11711	2.1
161.06001	2.4
161.09657	3.5
162.06773	10.9
163.07520	14.4
163.11177	1.4
165.05495	4.4
165.09138	4.1
167.07079	2.9
169.04973	4.1
169.10172	1.7
171.07957	1.2
171.11723	1.4
173.05972	1.5
173.09499	2.1
175.07492	4.8
175.11261	3.0
176.08295	1.1
177.05490	11.4
177.09091	24.8
177.10561	1.7
178.06264	1.3
178.09496	2.1
179.07033	4.9
181.08582	1.3
185.09605	1.8
187.07527	9.9
187.11220	1.4
189.09099	7.9
190.06277	2.3
191.07030	21.5
191.10690	2.6
192.07768	13.3
193.05017	2.0
193.08614	13.8
193.10207	1.8
195.06529	1.5
199.11160	1.1
200.08278	1.7
201.09183	4.0
203.06996	3.4
203.10622	2.0
205.08597	100.0
206.08908	5.2
209.08054	1.4
209.09805	1.3
211.09616	9.2
213.09132	2.6
213.12675	1.8
214.09935	1.2
215.06906	1.5
215.10747	3.3
217.08578	10.2
218.09322	1.8
219.06604	1.4
219.10143	6.0
221.08084	3.7
223.09634	84.1
224.09990	5.4
225.09085	1.7
227.10692	4.2
228.07895	1.3
229.08603	18.6
229.12151	1.3
230.09276	3.8
231.10066	8.4
231.13809	1.7
233.11769	3.8
235.09639	6.7
237.11302	3.0
241.12216	2.9
243.10167	15.1
244.10872	1.7
245.07909	1.5
245.11801	2.5
245.15268	1.4
247.09637	15.8
248.09972	1.6
249.11276	3.1
255.10054	5.1
255.13811	3.1
257.11682	3.7
257.15402	2.2
261.11218	25.2
261.13828	2.0
263.12860	2.0
267.10117	1.4
269.11673	5.5
270.12415	2.1
272.13904	1.1
273.14844	60.0
274.15198	6.6
281.11630	1.6
282.12518	1.9
283.13260	3.6
285.14871	8.4
287.12900	5.0
289.14264	1.7
291.15878	15.4
295.13336	1.5
301.14374	1.9
303.15936	7.7
305.13895	3.9
307.16925	1.2
325.17923	18.0
326.18494	1.4
343.19034	79.3
344.19302	7.5
361.15698	1.5
361.20050	26.8
361.24448	1.8
361.28937	1.7
362.20520	2.9
362.32648	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2009
Annotation	Cyclocoulterone
Peak:m/z	Relative Intensity
50.12276	1.6
51.73861	1.7
53.03944	1.6
55.05507	3.9
57.03432	2.2
57.07079	3.1
67.05507	11.1
68.99783	1.9
69.03439	3.8
69.07077	3.8
70.06589	2.5
71.04977	1.5
71.08647	2.2
79.05498	6.0
81.07057	12.6
83.01352	7.7
83.08085	1.6
89.07974	1.9
91.05479	16.3
93.07040	16.6
95.04965	2.7
95.08607	28.2
98.22606	3.6
105.07050	17.4
107.08591	15.3
109.06529	4.2
109.10162	22.6
113.06004	3.5
117.07038	2.3
119.08585	4.1
121.06509	7.0
121.10148	15.9
123.11749	3.6
129.01820	5.3
129.06960	3.2
131.08577	6.8
131.71431	1.6
133.10144	18.5
135.08046	8.3
135.11710	3.4
139.11226	1.8
143.08557	2.3
147.08070	3.2
147.11697	2.7
149.06186	1.5
149.09627	8.2
151.11171	7.5
153.05478	4.1
159.08041	8.0
161.06015	2.7
161.09657	2.7
162.06775	6.7
163.07533	11.4
165.06918	1.6
165.09161	3.4
173.09622	2.1
173.13348	1.5
175.07552	4.6
177.09100	21.2
185.08070	3.6
187.07594	5.8
189.09106	7.0
190.06189	1.7
191.07014	3.8
192.07869	2.9
193.08656	6.7
201.09319	1.7
203.06978	2.7
205.08606	92.2
206.09026	4.8
211.09630	9.1
213.09079	3.3
217.08629	5.0
221.08041	2.2
223.09641	86.8
224.09894	3.6
229.08577	20.6
230.08827	1.7
231.10190	5.0
235.09645	10.9
237.11224	2.7
241.12166	2.5
243.10066	2.3
247.09612	26.3
249.11278	7.9
251.13249	1.6
255.10245	2.1
257.11798	2.5
273.14859	2.5
275.12811	2.1
282.12479	1.5
283.13379	2.4
287.12756	2.3
291.15799	2.5
295.72562	2.0
301.14185	2.8
315.19550	2.8
325.18008	14.2
343.19031	100.0
343.57425	1.5
344.19373	7.5
360.37448	16.7
361.20047	18.1
361.27957	2.7
361.37900	10.0
362.20224	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	361.2009
Annotation	Cyclocoulterone
Peak:m/z	Relative Intensity
53.03935	1.2
55.05508	4.0
57.03420	0.9
65.03928	0.8
67.05508	3.5
69.03436	3.6
69.07066	3.7
69.22318	4.3
69.22725	1.8
71.04979	2.3
79.05491	13.5
81.07057	100.0
82.07395	3.5
83.01352	2.5
83.04974	1.5
90.73618	0.7
91.05479	4.3
93.07047	7.9
94.41106	0.8
95.04970	1.2
95.08616	4.0
97.06487	1.1
97.10176	1.1
105.07021	8.5
107.04893	1.0
107.08595	9.0
109.06518	1.7
109.10152	2.1
113.05995	1.6
117.06988	0.8
119.05031	0.7
119.08608	3.5
121.06496	2.2
121.10157	5.3
123.04443	2.1
129.06955	1.2
131.08568	2.9
133.06508	2.4
133.10132	7.0
135.08073	3.5
135.11670	4.3
139.11198	2.8
143.08502	1.2
144.29501	0.8
147.08072	1.2
149.06024	2.3
149.09651	2.4
149.13184	0.8
151.07591	1.6
151.11211	1.7
157.06610	0.7
157.10187	1.1
159.08099	2.1
161.06013	7.1
162.06750	2.4
163.07524	5.3
175.07553	3.4
175.11185	1.1
176.08334	0.8
177.09143	6.2
185.08154	1.2
185.09688	1.7
187.07587	3.0
189.09122	2.7
189.12740	1.2
191.07031	1.8
192.07858	1.3
193.08617	5.4
199.11270	1.2
201.09106	2.2
202.09903	0.9
203.07050	3.5
203.10808	1.7
203.94070	0.8
205.08611	25.4
206.09012	1.6
209.08267	1.0
209.82924	0.8
211.09689	1.0
213.09143	0.9
215.07137	0.9
215.10718	0.8
217.08662	3.1
217.12311	3.3
219.10156	1.8
221.08138	2.1
221.11671	1.2
223.09654	26.4
223.11789	1.5
227.10767	2.1
227.14220	0.9
229.08623	3.2
231.10226	3.1
231.13707	0.9
233.11717	1.5
235.09723	2.8
235.13298	7.2
241.08627	1.5
243.10205	1.7
245.11746	10.7
245.15350	4.3
247.09656	3.1
249.11336	2.0
257.11783	1.7
259.09702	2.9
263.12759	11.3
269.11838	2.1
273.11359	3.4
273.14780	1.3
277.60562	0.9
281.13861	25.4
282.14124	1.2
283.13364	2.7
287.12924	1.7
287.16327	0.9
291.16010	1.1
297.18423	1.4
301.14258	2.4
307.17169	0.9
315.19617	3.5
325.18024	7.0
325.21423	0.9
343.19049	34.1
344.19400	2.6
361.20129	9.8
362.20270	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2008
Annotation	Taxamairin C
Peak:m/z	Relative Intensity
50.84825	2.6
53.03943	7.2
55.05504	7.2
57.07069	5.8
67.05495	13.4
69.07070	8.9
70.24327	7.2
71.04984	8.1
79.05499	37.4
81.07055	26.9
83.01353	6.4
83.08607	2.8
91.05480	23.5
93.07044	98.3
95.04989	7.2
95.08614	10.9
105.07046	14.7
106.06593	3.4
107.08596	67.4
109.10156	8.3
113.06017	6.7
115.05437	3.2
119.08586	3.9
121.06496	6.0
121.10132	7.8
123.04416	3.8
123.08035	3.7
123.11784	2.6
127.03860	2.7
129.01848	10.8
133.10136	9.1
135.08081	10.4
135.11703	32.2
137.11369	2.8
137.13284	5.0
139.03938	2.7
140.66087	2.4
141.05548	3.8
145.06401	3.0
145.10123	3.8
147.08052	3.8
147.11710	6.4
149.05974	4.0
151.07613	3.2
153.05457	7.0
155.03404	6.4
157.04971	4.1
163.07574	6.2
167.07040	62.7
169.04958	44.7
170.05360	3.7
171.95705	2.8
173.05927	4.1
179.07115	5.0
181.08655	4.2
183.06546	14.6
185.08197	6.2
189.05528	5.0
191.07019	44.0
193.05147	2.4
193.15894	4.4
197.08098	18.6
197.29449	2.5
207.06543	21.3
209.08157	27.7
219.10263	4.8
225.07581	41.4
227.09132	100.0
228.09457	5.1
231.13834	4.1
239.09161	6.3
291.15979	3.3
325.18002	4.1
343.19098	6.9
361.19742	5.6
361.23590	8.6
361.30997	7.0
362.30566	3.1
381.71259	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	361.2007
Annotation	Cyclocoulterone
Peak:m/z	Relative Intensity
52.73502	1.3
55.01884	1.4
55.05506	7.6
57.07064	3.2
59.04994	3.3
67.05507	11.7
69.03420	2.9
69.07070	14.0
71.04973	5.5
71.31528	2.1
79.05498	5.6
81.07052	14.6
82.34208	1.3
83.01339	3.3
83.08614	4.4
91.05463	5.5
93.07043	9.8
93.95358	1.3
95.04969	3.7
95.08618	16.5
97.06530	2.6
97.10206	2.0
97.94075	1.4
105.07021	10.8
107.05022	1.8
107.08587	11.2
109.06524	6.0
109.10150	23.1
113.06025	3.0
119.08575	4.3
121.06470	7.1
121.10136	9.9
123.08054	1.9
123.11697	6.4
131.08572	4.5
133.06468	2.4
133.10120	11.7
135.08052	6.8
135.11690	2.4
137.05933	4.1
138.04947	1.6
139.11191	5.5
145.10077	2.5
149.05978	2.9
149.09644	3.3
151.03918	2.8
151.11163	8.6
153.05481	3.1
157.10077	2.6
159.08046	4.8
161.05963	2.9
161.09689	3.2
162.06804	3.8
163.07523	5.9
164.62659	1.4
165.09047	4.3
165.12767	3.6
171.11667	1.6
175.07527	4.7
177.09123	13.5
178.06305	1.9
179.06915	1.6
181.08699	1.5
185.09618	2.5
187.07556	2.6
189.09090	8.5
191.07034	7.9
192.07793	5.5
193.08612	12.4
203.07141	2.4
203.10677	2.9
205.08607	60.6
206.08989	3.2
207.10101	2.1
209.08151	1.6
211.09697	6.3
213.12915	1.8
215.10736	2.8
217.08600	4.6
217.12213	1.8
219.06436	1.8
219.10097	2.2
221.08095	3.5
223.09631	31.9
224.09961	1.8
227.10701	3.5
229.08606	10.8
229.12056	2.2
230.09250	2.0
231.10107	6.7
231.13693	1.9
233.11745	4.8
235.09685	5.7
239.09128	1.7
241.12393	1.5
243.10175	10.4
247.09598	7.1
247.13284	2.1
249.11334	3.6
255.13918	2.8
257.11737	3.6
259.09604	3.5
259.13031	1.7
261.11240	13.6
267.10184	2.4
269.11758	4.3
271.13412	2.2
273.14807	5.6
275.12744	2.9
277.10715	2.6
277.14474	1.7
279.12302	13.4
283.13510	3.4
287.12656	4.5
291.15994	3.1
301.14362	2.4
303.15991	3.1
305.20996	6.0
315.19684	1.8
325.18008	14.2
326.18365	1.7
343.19031	100.0
344.19302	13.5
361.20053	87.6
361.27512	2.7
361.28867	2.0
362.20309	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	361.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47987	3.9
55.01869	11.0
55.05508	48.8
61.71056	3.5
65.03957	4.4
67.05505	98.3
68.05820	3.6
69.03422	5.7
69.07072	15.9
71.04987	14.9
79.05512	20.0
81.07062	32.0
83.04984	6.3
83.08624	28.0
91.05470	31.1
93.07044	35.4
95.04985	11.4
95.08607	58.2
97.10159	58.3
101.05980	4.5
105.07055	10.6
107.04960	8.1
107.08598	17.5
109.06566	6.5
109.10156	76.2
111.08065	16.3
113.09629	5.4
116.90585	4.2
119.08578	30.7
121.06505	7.4
121.10119	4.7
125.09650	55.3
129.07022	4.4
131.08566	8.8
133.10098	12.3
133.36130	3.8
135.08075	7.3
137.09607	54.6
143.08588	4.9
145.06453	4.4
145.10130	7.1
147.04398	5.8
147.08029	5.2
151.03893	11.7
151.07510	6.2
153.09073	9.8
155.10664	34.1
157.10051	5.3
159.11650	5.1
160.33820	3.9
161.06000	4.4
161.09746	5.1
163.07538	6.3
167.07066	8.6
171.10155	12.4
173.13223	6.3
189.11217	100.0
195.11737	4.4
223.14845	6.0
261.18512	11.2
271.17035	4.1
279.19586	15.2
307.19162	12.0
311.12671	6.4
325.20273	6.9
343.21771	4.2
361.19870	53.8
361.23828	10.1
361.28928	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	361.2374
Annotation	cannabinerolic acid
Peak:m/z	Relative Intensity
55.05520	5.0
57.03442	1.3
57.07064	4.3
61.74979	1.0
65.86077	1.1
67.05508	5.4
68.82185	1.0
68.99805	1.3
69.07064	3.9
69.25035	2.9
69.25445	6.2
72.08167	13.7
79.05486	2.6
81.07059	15.0
83.01343	4.5
83.08607	2.2
85.06518	1.4
88.91759	1.0
91.05494	3.7
93.07059	5.1
95.04947	1.4
95.08610	9.9
97.06488	1.1
98.06060	1.6
98.23332	2.1
105.07022	2.5
107.08572	4.4
109.06520	1.5
109.10153	3.5
119.08586	1.4
121.06528	1.9
121.10170	2.1
129.01830	4.7
131.08603	1.5
135.08047	3.6
135.11684	3.3
137.13252	4.1
139.03897	1.3
145.10159	2.1
149.05956	2.3
149.09599	2.1
150.96666	1.0
163.07541	5.2
163.11250	1.2
173.09624	2.5
175.11183	1.3
176.08308	1.7
177.05510	15.1
177.09126	13.1
181.05006	1.4
185.08156	2.7
189.09137	1.9
191.07088	2.1
191.10680	4.5
195.06557	1.5
201.09129	4.1
204.07826	5.0
207.10258	1.3
219.10173	74.3
220.10544	4.7
225.11319	2.2
233.11771	5.5
237.11218	91.5
238.11557	4.4
251.12802	7.0
264.23212	1.2
305.17484	1.8
343.18945	2.4
343.22595	9.9
344.23022	1.4
355.19772	1.2
361.23724	100.0
362.24084	8.7
362.30569	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	361.3097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.3
55.05511	100.0
57.07068	3.6
62.33363	1.9
65.03957	2.3
67.05507	46.1
67.06773	1.5
67.45264	1.6
68.05836	1.9
69.07082	8.7
71.83178	1.7
79.05488	14.3
81.03452	1.9
81.06563	2.6
81.07054	49.5
83.08619	53.5
84.08920	3.1
91.05489	7.9
93.07041	26.6
95.04971	3.2
95.08607	38.5
97.10153	6.4
98.22619	5.4
105.07011	7.3
106.37856	1.6
107.08601	16.5
109.10157	15.0
119.08566	4.7
121.10133	11.5
121.92814	1.7
123.08086	1.9
123.11684	9.3
129.01814	6.2
131.08548	3.8
133.10088	5.4
134.06961	1.6
135.08049	2.6
135.11694	10.7
137.13246	4.8
138.52420	1.6
147.11676	2.2
149.13284	6.7
161.13306	2.3
163.14851	4.4
177.16347	2.9
185.08031	3.4
205.19531	2.6
265.21234	2.1
279.23157	6.8
291.23117	3.8
361.23315	1.8
361.26727	2.1
361.31030	25.0
362.31635	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	362.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.6
57.03436	2.2
60.04521	5.1
61.02910	5.2
64.19007	1.3
64.68006	1.2
65.48244	1.4
69.03419	8.4
69.35393	9.0
73.02912	1.6
81.03403	3.3
85.02901	44.6
86.09710	1.5
91.03948	2.9
91.05457	1.8
94.18968	1.5
97.02896	12.1
98.63228	1.1
99.04447	2.7
109.02859	3.4
122.03621	1.6
127.03909	8.1
137.05972	100.0
138.06261	2.7
141.24901	1.2
145.04962	12.8
151.03870	1.9
163.06013	2.0
163.54672	1.2
167.07037	2.9
180.08611	2.9
183.06535	21.1
231.06505	1.8
240.20891	1.2
278.11237	1.6
298.21588	1.3
304.82977	1.3
362.25241	2.8
365.98688	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.6
57.03432	2.9
57.26797	1.0
60.04522	1.2
61.02919	5.4
69.03432	10.6
70.79840	2.1
71.04986	2.1
73.02936	1.7
75.12259	1.0
75.13803	1.2
81.03409	5.1
85.02902	41.3
87.04466	1.3
91.03960	2.6
97.02885	12.1
99.04446	1.6
105.07023	2.6
108.07896	1.0
109.02868	2.4
123.04423	100.0
124.04764	3.1
127.03889	8.3
133.06502	9.2
135.38037	1.1
137.05971	27.0
138.06355	1.8
145.04950	15.7
163.06068	1.5
165.05467	73.7
165.09113	7.7
166.05833	3.0
167.06990	1.9
180.08752	5.3
183.06493	11.9
183.10155	5.3
231.06459	1.6
309.42804	1.1
362.19312	4.0
363.11667	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	362.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.0
55.01871	2.5
55.05515	1.0
57.03436	2.3
58.41308	0.7
60.04522	4.8
61.02925	2.4
67.05517	1.7
69.03430	4.3
69.07071	1.0
69.42945	5.3
71.05013	1.8
73.02959	0.9
74.06071	0.8
79.05499	5.1
81.03011	0.7
81.03400	3.9
81.07055	1.8
83.04974	0.8
85.02909	13.9
86.09712	1.3
91.05492	4.0
93.07076	1.7
95.04956	1.7
95.08611	2.8
97.02934	4.0
97.06509	0.9
98.06007	0.7
103.05465	10.1
105.07034	23.9
106.07368	1.0
107.04951	2.9
107.08601	1.1
109.02853	2.0
109.06521	2.1
109.10158	2.2
111.04478	1.3
117.07017	1.6
119.04971	1.5
119.08589	2.5
121.06537	2.1
121.10130	1.0
122.03632	1.2
123.04420	2.6
123.08089	1.2
124.05103	0.7
127.03919	2.7
129.06990	0.8
131.04935	4.8
132.05667	0.7
133.06487	27.2
135.04393	1.6
137.05980	37.5
137.09569	3.6
138.06282	1.2
139.03935	1.9
145.04968	1.8
145.06494	2.6
147.04427	3.7
147.07988	1.8
149.05986	2.2
150.06790	0.9
151.07581	1.6
151.11194	1.3
154.07446	0.8
157.06453	1.2
159.08121	1.2
161.05951	1.4
163.03867	2.3
163.07574	3.8
164.08327	6.5
165.05515	3.7
165.09114	100.0
166.09506	4.7
167.07152	0.8
175.07600	1.0
177.05450	2.8
177.09079	2.8
179.06845	0.8
179.10730	1.3
181.04933	1.1
181.08788	1.2
183.10158	5.7
189.09111	4.0
192.83507	0.8
193.08638	1.1
200.12796	1.3
201.09106	1.7
205.08614	2.2
207.08345	0.9
207.10202	1.9
213.09004	1.0
227.10785	1.0
231.10220	2.5
245.11650	0.9
261.48309	0.8
273.11139	1.0
283.02585	1.1
291.12329	1.9
301.10718	2.3
327.12173	1.6
362.11938	6.7
362.25281	2.9
385.63916	0.9
387.32654	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1959
Annotation	Robustamine cis-N-oxide
Peak:m/z	Relative Intensity
52.34667	1.0
55.05508	10.8
56.05825	1.1
57.07069	4.3
59.05005	1.3
67.05502	5.5
69.07069	10.8
69.19431	4.7
69.19860	4.7
71.72005	1.2
74.09718	7.5
81.07048	4.6
85.43181	1.1
91.05481	2.8
93.07037	8.0
95.08622	5.5
97.06569	1.2
105.07011	2.3
107.08614	6.2
108.08113	2.7
109.06529	2.4
109.10126	2.0
119.24323	1.1
120.08121	2.0
135.08122	1.7
135.11711	3.0
136.07515	1.7
148.07594	2.5
149.13229	1.4
162.05539	1.7
165.12766	8.5
168.06557	2.5
175.11313	1.0
176.07069	3.7
176.14339	1.8
177.07808	1.5
178.05037	2.1
180.06543	6.1
190.05045	1.9
190.08620	3.1
191.05725	3.5
192.06583	4.4
196.06036	2.4
203.05659	1.4
204.06557	18.2
204.10004	1.0
205.07382	13.3
206.08125	6.3
216.10190	1.4
218.08118	13.0
219.08896	4.3
220.09685	3.8
230.08087	3.8
230.11766	2.3
232.09767	4.3
233.10405	2.3
234.11234	1.7
244.09706	3.8
246.11272	5.0
248.12926	1.4
249.77423	1.1
258.11301	6.3
260.12857	5.4
262.14465	9.2
263.14691	1.2
264.23221	2.4
272.12793	2.9
273.13611	5.9
273.71967	1.1
274.14380	14.1
278.13782	2.0
286.14270	1.9
288.19540	2.3
316.19055	100.0
317.19354	9.5
344.18558	74.6
345.18860	7.8
362.19601	49.1
362.30658	3.2
363.19980	5.0
363.24829	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	27.2
57.40606	21.2
58.89298	21.9
64.24342	22.6
66.15308	19.7
67.05490	28.6
69.07029	25.5
70.75668	67.5
71.04987	30.9
79.05486	37.2
81.07050	37.2
91.04445	23.7
91.05518	48.0
95.04966	34.0
95.08592	62.5
97.06533	33.9
119.08577	26.4
133.10146	26.7
171.27092	25.7
185.92917	25.6
362.16110	97.2
363.17731	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.7
57.07081	6.8
57.58876	0.6
58.06588	0.7
65.03934	0.6
67.05504	6.6
69.07054	1.2
70.06595	14.7
71.04993	10.3
71.08642	3.9
79.05497	1.7
81.07048	5.2
83.08614	1.5
84.08147	2.1
86.09698	1.0
88.07635	15.2
89.06030	1.0
90.96526	0.6
91.05456	0.9
93.07049	2.5
95.04957	0.9
95.08623	3.7
97.10211	1.1
97.20107	0.6
102.09185	3.4
105.07043	1.6
106.08724	1.0
107.04961	0.7
107.08553	1.6
109.10143	4.0
110.40236	0.6
114.09169	7.5
117.06991	0.8
118.08664	0.8
119.08607	2.0
121.10146	0.6
123.11711	1.8
125.09612	1.6
127.03931	1.0
131.08524	1.0
132.10202	28.9
133.10304	0.9
135.11632	0.9
137.09613	0.7
149.09584	1.0
151.04010	0.6
152.04271	0.9
155.10654	1.2
155.14322	4.9
159.56651	0.6
162.11293	1.1
173.11720	6.7
176.12845	4.1
189.11194	1.7
194.13882	6.0
242.24818	1.0
256.26373	8.4
274.27475	2.7
277.21762	0.9
318.30023	2.0
344.19492	2.1
345.16937	0.8
362.06995	0.9
362.32651	100.0
363.12900	0.7
363.17642	2.4
363.21460	7.0
363.25485	1.4
363.33057	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	363.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.4
56.96569	2.3
57.03436	8.4
60.04531	2.7
60.05658	2.4
65.97994	1.2
67.05513	4.1
69.03430	3.4
70.70190	2.6
71.01360	2.7
71.04998	37.2
73.02910	3.5
75.04481	3.7
79.05463	1.5
81.03428	2.2
83.04997	5.9
85.02912	10.6
85.06564	1.6
86.03553	5.1
95.01334	86.2
95.04997	1.7
96.01694	1.5
97.02925	1.8
98.22596	1.2
98.97584	7.7
101.06039	1.5
113.02373	100.0
113.06005	6.4
114.02727	3.1
116.98648	3.2
117.05499	2.8
121.06559	1.2
123.04388	2.1
127.03873	1.5
131.03403	1.9
131.07082	2.4
141.01822	7.9
158.99635	2.1
159.02979	1.5
167.07050	8.6
169.04973	43.0
170.05386	1.4
177.00691	3.2
187.06027	25.7
187.09656	4.1
221.05148	2.6
233.34351	1.2
237.02855	1.9
243.05429	1.9
277.00058	1.7
278.11334	5.2
304.09348	2.2
363.14047	10.2
364.65604	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22098	2.7
55.05514	2.8
56.96547	4.4
60.05647	4.5
65.17244	2.2
67.05505	2.5
69.03417	4.3
69.87245	2.3
70.41872	6.8
71.04983	5.7
71.31854	2.3
79.05484	2.9
81.03387	4.9
81.07072	2.9
83.04968	6.7
83.36256	2.2
85.02888	5.6
86.03513	5.9
91.05444	2.8
95.04965	3.9
97.02883	3.6
98.97576	7.2
107.04945	5.2
113.05950	2.4
121.06419	2.9
127.03849	2.9
128.78189	2.6
167.07030	18.4
184.09744	3.0
185.08105	4.9
201.09586	3.4
213.09773	6.1
219.08969	5.5
237.02754	5.4
278.11276	5.9
303.12811	9.4
321.13940	4.4
343.56573	2.8
363.14063	100.0
364.14374	4.3
375.10910	2.7
381.14102	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	363.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.4
53.03932	2.0
55.01861	1.2
55.05514	0.4
61.40653	0.4
65.03929	3.1
67.05502	1.9
69.03414	0.8
69.07050	0.6
69.32915	2.7
74.45786	0.3
77.03938	0.7
79.05473	2.5
81.03383	0.6
81.07046	0.5
82.04190	1.2
83.04958	0.4
85.02901	1.9
91.04932	0.7
91.05472	12.1
92.05780	0.5
93.03397	0.8
93.07040	14.0
95.04967	3.4
95.08612	0.5
95.20659	0.3
97.06519	0.7
99.61287	0.4
103.05457	10.5
104.05741	0.4
105.04546	1.8
105.07030	2.2
106.04163	0.8
107.04939	2.0
107.08559	0.8
108.02024	0.4
109.10126	0.6
110.03652	1.8
111.04466	0.7
113.38673	0.4
119.04959	1.8
119.08573	0.8
120.05691	1.4
121.06493	37.8
122.06844	1.4
123.04376	0.5
125.05957	1.5
131.04935	1.0
131.05984	0.6
131.08498	0.6
133.02820	0.6
133.10072	0.4
135.04417	0.6
135.08089	0.5
137.02409	0.5
137.05969	0.7
138.03053	0.6
138.06721	0.8
142.02588	1.3
147.04404	1.3
148.05135	0.6
149.05969	10.9
151.03894	2.0
153.05478	0.8
159.05548	2.1
163.07648	0.4
165.09090	3.9
166.06268	5.6
166.20235	0.4
167.06964	1.6
171.06517	1.7
173.13237	0.5
177.05457	34.5
178.05823	1.4
181.04993	24.4
181.08574	100.0
182.05345	1.0
182.08919	5.0
209.08066	10.2
274.18164	0.4
275.53235	0.3
315.08575	1.6
318.20624	1.5
330.11121	0.9
346.19980	1.1
363.08508	1.6
363.13959	2.8
363.17474	0.7
363.21390	0.6
364.21130	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.18
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17268	0.9
58.37324	0.8
58.53091	0.9
60.77506	0.8
60.78959	0.9
65.03947	1.5
68.47732	0.8
69.18613	5.6
69.19038	2.3
71.77065	0.8
79.05500	2.3
91.05480	3.7
91.78859	0.9
93.07051	1.2
94.04195	4.1
95.04974	1.1
95.08626	1.3
97.06500	0.9
103.05463	1.7
105.07051	1.4
107.04971	6.2
107.08607	1.1
119.05016	0.9
119.08620	1.1
122.03654	8.2
127.07342	0.8
131.04939	1.0
135.04372	1.1
135.08003	1.7
135.11678	1.0
137.05974	100.0
138.06311	3.4
138.65712	0.8
140.04623	1.0
145.10144	1.2
148.82280	0.9
149.05992	1.1
151.03844	1.1
151.07555	1.3
151.47543	0.8
155.13596	0.8
163.07494	5.4
167.07048	6.3
181.08632	4.0
185.78401	0.9
195.10159	11.4
197.99355	0.9
218.09288	1.1
271.07693	0.9
317.07971	2.0
345.07520	1.2
346.72992	0.9
363.08704	5.0
363.13928	2.8
363.17935	1.8
363.21912	0.8
364.25497	1.3
382.52182	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2143
Annotation	Hydrocortisone
Peak:m/z	Relative Intensity
55.05508	1.7
57.03407	0.3
67.05499	1.7
67.67645	0.3
69.03424	0.4
69.07066	1.0
71.04983	0.3
71.31600	0.4
72.05042	0.3
79.05492	2.1
81.03417	0.3
81.07057	1.8
83.04978	0.7
83.08604	0.9
85.06553	0.6
91.05474	1.9
93.07035	1.9
95.04963	0.8
95.08575	1.5
96.23156	0.3
97.06545	0.3
97.10153	1.6
105.07039	1.3
107.04946	0.4
107.08591	1.6
109.06549	0.5
109.10141	0.9
117.07016	1.2
119.08601	1.8
121.06506	0.7
121.10159	0.9
123.08121	0.3
125.09629	1.1
125.63878	0.3
127.03937	0.5
127.46455	0.3
128.06113	0.3
129.07048	0.5
131.08582	0.7
133.06580	0.3
133.08484	0.3
133.10141	0.6
135.08029	0.6
135.11710	0.7
137.05981	0.5
137.09631	0.5
143.08548	0.5
145.06502	1.8
145.10156	0.7
147.08073	0.6
147.11713	0.4
149.05989	0.4
151.07356	0.3
157.10106	0.5
159.08096	0.5
159.11707	0.9
161.09673	0.3
167.06990	0.5
173.09642	0.3
177.05571	0.4
183.11642	0.5
187.11345	0.3
189.09175	0.4
189.11244	0.9
225.09091	0.4
232.02388	0.3
271.16882	1.7
289.18036	0.4
294.23871	0.3
327.23251	0.3
331.18695	1.0
345.20419	2.9
363.21408	100.0
364.17944	0.5
364.21701	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2164
Annotation	Nelumol B
Peak:m/z	Relative Intensity
53.03925	2.6
55.01871	2.2
55.05514	13.1
57.07071	2.2
60.57221	1.2
67.05505	18.4
69.03422	6.1
69.06715	2.1
69.07067	29.3
70.07400	1.4
71.04990	4.4
71.31685	2.2
79.05488	12.9
81.07053	22.8
83.01343	10.9
83.04975	2.4
83.08609	7.1
84.83150	1.1
85.06550	4.0
88.07637	2.6
91.05478	11.5
92.47620	1.2
93.07043	34.7
95.04966	3.9
95.08599	18.0
97.06519	5.4
97.10200	2.2
99.08118	1.3
105.07030	9.1
107.04959	2.4
107.07932	1.9
107.08593	25.8
107.59069	1.1
109.02877	3.3
109.06519	4.2
109.10154	22.6
109.29498	1.3
111.04420	1.8
111.08036	1.7
111.11659	1.8
113.06009	5.4
115.66099	1.2
117.07012	3.5
119.08578	7.9
119.55924	1.1
121.06518	9.2
121.10145	5.4
123.08059	3.3
123.11707	9.1
125.09612	2.3
127.07559	1.7
128.06224	1.7
129.07005	2.2
131.08580	5.6
133.06487	1.6
133.10138	4.9
135.08070	11.1
135.11694	21.3
136.11920	1.9
137.05957	3.1
137.09599	2.5
139.07521	2.0
143.08548	3.6
145.10146	5.1
147.08047	2.2
147.11702	2.5
149.05981	2.5
149.09579	10.1
149.13217	1.6
151.07556	2.1
152.85522	1.3
153.05460	16.6
153.09036	1.4
153.12714	2.0
157.10098	1.6
159.08052	6.9
159.11739	2.5
161.06006	2.3
161.09637	4.0
162.06752	7.4
163.07524	14.3
163.11182	1.5
165.05455	2.5
165.09108	4.4
167.07021	1.7
167.08453	1.5
167.10693	8.6
169.08539	1.8
171.11710	2.5
173.09615	4.4
175.07547	3.6
175.11166	2.4
175.14816	1.8
176.08319	3.2
177.05510	3.2
177.09100	23.3
177.12759	2.2
179.07028	2.7
187.07536	8.5
188.37219	1.5
189.09094	13.0
189.12738	2.0
190.06256	1.7
191.07028	18.0
191.10603	6.5
192.07799	9.0
193.08586	12.0
199.14824	1.6
201.09169	2.1
203.10669	3.5
204.07814	1.9
205.08595	100.0
206.08946	5.7
207.10103	2.4
211.09593	14.7
215.10645	2.9
217.08551	8.8
217.12143	2.6
219.06676	2.3
219.10149	27.1
223.09625	83.8
224.10010	2.7
225.11029	1.6
227.10667	1.9
229.08562	3.7
230.09407	1.8
231.10167	4.4
233.11697	3.6
235.09627	10.5
237.11171	21.6
241.12094	1.4
243.10095	8.0
243.13800	1.5
244.10815	2.7
245.11679	5.2
249.11157	3.0
251.12880	1.8
253.10797	3.7
256.10904	2.7
257.11661	3.4
259.13260	6.8
261.11179	6.5
261.14972	1.7
263.12772	6.5
265.14420	3.6
269.11761	1.6
271.13281	9.3
275.12857	3.7
275.16434	5.7
277.14343	4.7
285.14886	3.1
289.14346	17.4
293.13876	7.3
293.17209	1.3
315.19565	4.3
327.16086	2.3
327.19473	12.9
333.20529	14.2
334.20828	2.6
345.16818	12.2
345.20612	36.9
346.17212	2.3
346.20953	3.0
363.08557	2.2
363.17865	9.5
363.21655	69.9
363.25272	3.1
363.33533	7.1
364.18057	1.8
364.21957	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	363.2165
Annotation	Nelumol B
Peak:m/z	Relative Intensity
50.40768	1.2
53.03939	2.1
55.05510	10.2
57.03424	2.4
57.07077	11.6
59.05004	2.6
63.42128	1.2
64.03233	1.1
65.03944	1.2
67.05506	20.1
67.11855	1.3
68.99775	1.3
69.03418	8.6
69.07065	18.6
69.74191	6.5
71.04990	5.6
71.08633	6.3
79.05486	9.9
81.07055	55.3
83.01327	2.1
83.04986	2.6
83.08612	6.0
85.06512	2.4
85.10152	1.7
89.06026	16.1
91.05497	10.6
93.07043	47.0
94.07335	1.8
95.04955	4.7
95.08594	26.1
97.06517	3.1
97.10197	2.8
98.23331	2.1
99.04456	1.9
99.08091	1.3
105.07010	8.0
107.04946	1.8
107.08583	20.6
109.06532	3.3
109.10158	18.5
113.05994	3.5
117.07008	2.6
119.08578	6.2
121.06506	12.5
121.10135	6.8
123.04440	4.7
123.08067	4.7
123.11728	9.9
125.05972	1.7
127.07534	1.8
129.01857	2.6
129.07036	1.3
131.08511	3.0
133.06496	3.6
133.08582	4.1
133.10127	3.8
135.08083	7.4
135.11682	31.0
137.05984	3.2
137.09595	1.5
137.13232	9.1
139.03857	2.1
141.05495	3.6
143.08577	1.9
145.06445	1.4
145.10109	4.9
147.08009	3.4
147.11612	2.7
149.05986	8.7
149.09615	1.9
149.13248	1.6
151.07523	4.3
153.05460	3.3
157.10147	2.7
157.32341	1.3
159.08083	3.9
159.11725	4.3
161.05946	3.6
161.09567	1.9
161.13223	1.5
163.07558	5.3
165.09108	5.5
167.07010	3.7
171.11774	1.6
173.05983	2.7
173.09628	2.6
173.13278	1.9
175.07547	11.4
177.09094	7.2
177.12762	3.2
179.07027	5.5
179.14255	1.5
181.08684	1.8
181.10176	1.5
185.09558	1.4
189.09088	3.3
191.07066	7.9
192.07774	3.2
193.08598	18.8
195.12268	4.1
201.09081	2.9
203.07031	11.1
203.10640	1.6
205.08588	17.5
207.10158	1.9
209.08092	4.2
211.09647	33.4
212.10089	1.3
215.10715	1.8
215.14474	2.1
217.08647	3.6
217.12213	2.3
219.10146	3.7
221.08112	9.2
223.09654	10.4
225.12688	2.1
227.09137	3.1
228.11566	1.9
229.08601	2.7
231.10182	1.9
233.11821	2.4
233.15428	2.9
243.10201	3.5
243.13802	2.4
245.11647	9.6
247.13358	2.2
257.11685	1.6
257.15390	1.7
261.11191	4.8
263.12762	18.8
265.14261	2.0
271.13388	5.6
271.16644	1.5
275.16425	5.8
277.14291	1.7
281.19122	1.4
289.14246	12.2
293.17471	13.4
294.17590	1.4
299.19928	2.9
309.18298	2.0
317.21060	13.1
327.19492	16.0
327.30502	1.6
345.20587	100.0
346.20895	9.8
363.21634	76.4
363.28775	2.2
363.33041	6.4
363.36914	2.2
364.21832	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	363.2166
Annotation	CHEBI:70375
Peak:m/z	Relative Intensity
50.13961	1.2
50.33916	1.2
52.16762	1.2
53.03941	1.4
55.01894	1.4
55.05512	5.6
57.07079	8.9
67.05510	10.0
69.03424	3.2
69.07072	5.6
69.58909	2.3
69.59312	5.7
71.05003	2.7
71.08633	6.5
79.05512	6.9
81.07057	13.4
83.01347	5.7
83.08627	2.8
85.06583	1.4
85.10187	2.7
88.41152	1.2
89.06030	20.2
91.05482	7.1
93.07054	13.1
95.04969	3.2
95.08601	10.0
95.71295	1.3
95.78308	1.3
97.06574	1.7
97.10175	2.7
105.07045	5.4
107.08587	10.9
108.18437	1.3
109.06550	2.4
109.10164	8.3
113.05990	3.9
117.06954	1.3
119.08602	5.6
121.06510	3.6
121.10155	5.2
123.08088	1.5
123.11756	2.9
131.08601	3.1
133.08585	5.4
133.10156	2.2
135.08073	5.3
135.11696	8.9
137.06023	2.4
137.09676	1.8
143.08524	1.3
145.10162	4.9
149.06010	2.4
149.09622	5.2
149.13309	1.7
152.09291	1.5
159.08086	4.0
159.11661	1.6
162.06804	3.2
163.07610	8.4
163.11200	3.4
173.09637	2.0
173.13344	1.5
176.08397	4.5
177.09094	14.7
187.07512	3.1
189.09140	2.0
191.07069	8.4
191.10666	10.4
192.07776	5.2
193.08641	2.8
195.12285	3.5
201.09140	2.5
205.08595	38.4
206.08984	1.8
211.09624	1.9
219.10175	21.2
223.09662	33.9
224.10040	1.9
233.15372	1.4
237.11208	23.5
243.10201	5.4
243.13783	1.5
245.11830	1.9
261.11270	11.1
271.13297	7.3
289.14349	21.8
289.17429	2.4
293.17438	2.3
303.15988	1.9
327.19452	13.4
345.20612	100.0
346.20978	9.2
362.54581	1.5
363.21579	7.7
363.28769	2.1
363.32877	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	363.2528
Annotation	Di-n-heptyl phthalate
Peak:m/z	Relative Intensity
53.03940	0.3
55.01872	0.3
55.05510	1.8
57.03432	0.3
57.07080	0.4
65.03938	0.3
67.05500	5.1
69.03426	100.0
69.07073	1.5
69.32905	0.2
70.03763	1.7
70.51832	0.2
71.05016	0.2
71.08627	7.0
79.05489	4.1
80.05891	0.2
81.03413	0.4
81.07051	5.3
81.07503	0.4
83.04977	1.0
83.08628	1.2
85.06537	0.3
88.07624	0.3
91.05480	3.1
93.07044	6.0
95.04974	1.4
95.08599	4.4
97.06525	1.1
97.10178	0.5
98.22498	0.5
99.08089	6.3
99.08720	0.4
104.96119	0.2
105.07030	2.5
107.04955	1.2
107.08588	3.8
109.06518	0.5
109.10162	1.8
111.08080	0.2
113.09667	0.6
117.07014	0.5
119.08572	1.8
121.10139	3.3
123.08083	0.3
123.11699	0.3
131.08548	0.8
133.10132	1.7
135.11679	4.6
137.09590	0.6
139.11168	0.3
141.09129	0.5
143.08545	0.3
145.10101	0.5
147.11699	0.6
149.13234	1.3
151.11174	2.1
153.12723	0.3
157.10095	0.4
159.11702	0.7
161.13292	1.7
163.11182	1.0
163.14836	0.3
165.12880	0.2
171.11661	0.4
173.13239	0.2
175.14793	0.3
177.12762	0.6
179.14296	15.2
180.14656	0.8
181.12169	0.3
185.13264	0.4
188.58490	0.2
189.12717	0.6
195.13751	0.3
199.14827	0.4
207.13818	0.7
211.09634	0.5
221.15303	0.5
235.16927	0.6
259.20557	0.5
271.28519	0.3
277.21634	5.1
278.21982	0.4
292.17755	0.2
315.30478	0.3
345.24203	0.4
363.25284	22.5
363.32858	1.8
364.25638	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00319	0.2
55.01888	0.3
55.05509	2.2
57.03438	0.3
57.07090	0.6
61.83391	0.2
67.05504	5.3
67.37437	0.3
69.03431	100.0
69.07055	1.7
70.03761	2.0
70.57835	0.7
71.08635	6.8
73.06580	0.3
79.05492	4.2
81.03437	0.8
81.07058	6.0
81.07507	0.4
83.04999	1.1
83.08638	1.4
85.06555	0.4
88.07635	0.5
91.05486	3.6
93.07047	6.5
93.07609	0.4
94.07381	0.3
95.04978	2.2
95.08605	4.9
96.08860	0.2
97.06547	1.2
97.08839	0.2
97.10170	0.7
98.70663	0.2
99.08101	6.0
105.07043	2.7
107.04971	1.4
107.08598	4.1
107.35896	0.2
108.08942	0.4
109.06518	0.5
109.10156	2.0
113.87253	0.3
117.07036	0.7
119.08598	2.3
121.06492	0.3
121.10152	3.2
122.10490	0.4
123.08088	0.3
123.11729	0.6
129.07054	0.5
131.08554	0.6
133.10121	2.0
135.08041	0.5
135.11699	4.7
137.09605	0.8
141.09114	0.7
143.08571	0.5
145.10179	0.8
147.11703	0.9
149.13268	1.5
151.11197	1.8
151.77492	0.2
155.08522	0.3
157.10156	0.3
159.11740	0.6
161.09689	0.3
161.13274	1.8
163.11198	0.7
163.14803	0.5
165.12830	0.3
167.10645	0.3
171.11681	0.4
173.13330	0.3
175.14825	0.4
177.12761	0.6
179.14313	13.4
180.14690	1.0
185.13300	0.3
189.12778	0.4
199.14967	0.3
207.13850	1.6
211.09744	0.6
221.15344	0.6
235.16972	0.9
259.20563	0.5
271.28299	0.6
277.21622	4.1
320.89758	0.2
345.24377	0.4
351.89481	0.3
363.21585	0.8
363.25327	20.4
363.32996	1.5
364.25775	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.4
53.20722	1.6
55.01860	2.2
55.05513	44.1
56.05845	1.9
57.03437	22.2
57.04765	1.4
57.06809	1.3
57.07079	5.6
64.04224	1.3
65.03928	2.6
67.05508	24.9
69.03444	4.3
69.07075	6.4
71.04999	5.0
71.32262	2.0
71.32649	1.7
79.05486	7.1
81.07053	14.5
83.05006	1.5
83.08630	19.2
85.02893	1.5
85.06544	26.8
91.05472	9.7
93.07050	13.1
95.04965	33.0
95.08606	10.2
97.06538	6.7
97.37202	1.6
105.07051	4.8
107.04929	4.5
107.08596	9.5
109.06502	9.6
109.10154	4.7
111.08053	1.7
113.06007	100.0
114.06396	1.8
117.07024	3.5
119.08580	5.3
121.06491	11.0
121.10143	7.8
123.08092	3.1
123.11703	3.1
127.07556	9.1
128.06282	1.7
129.06985	2.3
131.08551	3.8
133.10149	6.3
135.08035	7.5
135.11711	4.3
137.09615	5.4
139.11185	6.2
143.08586	5.1
145.10164	3.9
147.08017	1.8
147.11679	3.4
149.09625	3.7
149.13318	3.1
153.09187	1.8
157.10091	2.8
161.09645	2.8
161.13358	2.5
163.07474	1.9
165.09145	6.5
167.10724	3.2
169.10098	2.1
171.11713	3.8
173.09589	2.5
173.13130	1.7
177.09146	3.1
179.10730	1.7
181.12245	7.5
189.12732	3.5
191.10654	3.7
193.08609	2.1
199.14830	1.9
205.08623	6.4
205.12230	2.9
207.13901	2.0
209.15312	1.7
217.15952	2.0
223.09680	5.6
227.10443	1.8
227.14244	4.2
235.13367	1.8
237.14822	13.4
245.15311	11.7
249.14893	5.8
263.16400	9.5
275.16443	2.6
277.14362	2.0
293.17459	6.7
345.20557	7.6
345.24054	1.8
345.27853	1.9
363.21573	30.1
363.25308	3.1
363.29596	3.3
364.21844	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	363.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	3.9
55.26774	1.6
56.15020	1.7
57.07070	6.6
58.74137	1.5
62.63741	1.6
67.05501	7.8
69.07059	7.7
71.04970	1.5
71.08612	5.6
71.31317	2.5
79.05493	3.6
81.07053	12.8
83.08609	2.8
83.93774	1.6
85.06540	4.3
89.06023	4.1
91.05523	1.9
93.07037	5.4
95.08600	9.1
97.10192	2.7
99.08099	2.4
105.07022	3.3
106.36001	1.7
107.08595	5.9
109.06528	21.1
109.10165	5.1
119.08567	2.8
122.07375	2.3
123.08074	33.2
124.08335	2.1
131.08549	2.4
133.10190	1.7
135.08018	4.5
147.11723	3.2
161.13211	1.8
167.14326	1.6
178.86420	1.8
179.14322	98.9
180.14690	4.9
193.15903	2.5
195.12202	2.3
307.22806	2.8
307.28253	1.6
331.26358	5.8
363.28912	100.0
364.29388	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.16
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.4
55.05500	1.7
59.03957	1.1
59.05008	2.9
61.04912	1.2
61.91221	1.2
67.05508	2.5
69.03419	5.4
69.07055	3.0
70.06587	2.5
71.04996	2.5
71.31969	1.2
71.32307	1.9
72.04510	5.1
73.02910	2.3
78.04699	2.5
79.05499	3.2
81.03436	6.2
81.07047	3.6
83.04985	2.0
85.02898	6.9
85.06540	3.4
87.04475	1.2
89.06021	1.3
90.05548	7.8
91.05489	2.2
93.07043	3.1
95.04913	1.4
97.02917	2.2
97.06483	1.7
98.02426	2.6
98.97598	2.3
99.04453	2.1
105.07056	1.8
107.04970	1.7
107.08580	3.8
109.02858	6.8
109.06516	8.0
115.05447	1.3
116.03461	4.4
121.06512	1.7
121.10122	2.0
123.04430	10.1
124.07563	3.6
125.09625	4.5
127.03907	3.9
127.07551	4.0
135.04385	1.5
139.03931	1.4
142.08623	3.5
149.09682	2.7
151.03951	2.3
152.04701	2.4
163.03946	2.6
165.05524	2.0
166.12238	1.3
167.07042	100.0
167.10646	9.3
168.07349	3.5
171.04344	2.1
177.05530	2.1
181.04959	1.5
184.09688	4.3
185.08070	1.2
185.11713	7.1
193.04965	4.4
202.10715	11.7
203.07045	3.2
207.04620	1.1
209.08084	1.7
220.11804	4.2
231.06531	5.5
249.07600	1.3
287.09256	1.5
304.01773	1.6
328.13895	3.1
329.10233	1.4
337.03357	1.7
346.14261	1.2
347.11682	2.3
364.13742	2.2
365.02899	5.0
365.12970	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	364.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.5
53.69844	0.9
53.98938	0.9
57.03438	1.9
61.02919	1.5
69.03434	3.8
69.30532	1.7
69.30939	4.9
70.06595	2.0
79.05494	2.2
80.25439	0.9
81.03423	1.8
83.04962	0.9
85.02914	11.8
91.05483	2.9
93.07036	2.2
95.04980	1.8
97.02892	3.3
98.97617	1.1
99.04460	1.1
107.04948	13.1
121.06496	4.7
127.03915	3.0
130.55089	1.0
135.04410	17.7
140.07076	0.9
144.95100	1.0
145.04910	1.6
149.06027	1.1
149.09668	1.1
152.04677	8.0
167.07037	100.0
168.07393	3.6
180.08681	2.0
185.04384	1.9
185.08084	37.6
185.09723	2.1
186.08473	2.0
202.10805	0.9
203.05367	1.7
245.87323	1.1
308.11008	0.9
347.12067	1.0
364.12067	1.2
364.16443	4.5
365.10532	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	364.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77686	0.9
55.01858	2.0
59.04982	2.1
62.65773	0.9
65.03938	1.1
67.05506	1.7
67.70190	1.1
69.03423	2.7
69.07069	2.5
69.16416	8.7
71.04987	1.2
72.04514	2.9
73.02911	2.1
78.04716	2.9
79.05499	1.5
81.03415	3.4
81.07043	1.8
84.57070	1.0
85.02887	5.4
85.06530	2.3
86.09701	1.1
89.06011	1.0
90.05535	5.9
91.05445	1.1
95.04962	1.6
97.02902	3.7
98.02402	2.6
99.04446	1.4
106.04169	1.5
107.04929	1.3
107.08556	2.6
109.02873	4.0
109.06512	2.3
116.03451	2.5
121.04052	1.0
123.04413	9.3
124.05252	1.6
124.07587	3.3
127.03908	4.0
127.07546	3.1
131.04810	1.1
132.06577	1.4
134.03629	1.2
142.08601	2.1
151.03911	1.5
152.04646	3.0
165.05484	2.9
167.07040	100.0
167.10741	3.3
168.07365	3.4
177.05490	1.5
181.04933	1.6
184.09726	5.0
185.11673	1.1
193.04980	1.3
199.05928	1.3
202.10704	12.8
203.07040	1.5
203.47569	1.2
211.09732	1.5
219.04588	1.2
220.11800	4.9
230.10280	1.3
231.06552	2.1
234.09708	1.4
262.12845	1.5
328.13861	3.8
346.14914	1.6
347.45297	1.2
364.13904	1.9
383.59967	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94326	1.9
70.50702	6.3
71.04996	10.8
72.05327	2.7
84.94624	2.4
85.02914	7.1
97.02859	4.0
98.97581	13.6
110.97531	2.3
111.16951	2.2
115.11372	2.3
116.98597	2.7
123.04428	6.0
158.04436	2.1
158.99777	2.8
167.07037	100.0
168.07333	5.8
169.87814	2.1
185.04297	2.6
185.07993	3.6
202.10637	3.1
202.14316	2.0
203.05348	8.9
237.02808	4.0
323.10126	9.9
364.14038	2.4
365.10989	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	364.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93265	1.6
53.03943	1.9
53.44702	1.5
55.01878	5.6
55.05513	1.8
57.03435	3.5
57.07079	3.7
59.05009	9.2
60.04522	18.1
61.02913	2.8
65.03920	1.9
67.05510	7.9
69.03439	11.6
69.07070	5.9
69.41506	1.6
69.44833	6.1
69.45239	4.0
70.02964	1.9
71.04987	3.3
72.04517	10.1
73.02921	4.0
79.05495	5.3
81.03418	10.5
81.07056	6.0
83.04973	5.7
85.02900	25.1
85.06538	4.1
90.05552	15.7
91.05512	3.0
91.87595	1.8
93.07050	4.8
95.04960	4.0
95.08587	3.9
97.02877	9.9
97.06534	5.5
98.02413	7.3
98.23220	3.3
99.04465	3.7
99.71270	1.7
100.03973	2.8
103.05461	3.4
104.05801	1.9
105.07041	6.5
107.08601	19.3
109.02875	8.6
109.06517	100.0
110.06834	2.3
116.03471	7.9
119.08562	2.1
121.10132	10.9
123.08079	4.6
124.07604	8.5
125.09631	65.6
127.03928	10.0
131.04967	2.0
131.08569	4.1
132.06590	1.9
137.05957	3.1
139.11180	7.4
142.08661	5.5
145.05014	4.4
149.09619	17.3
156.42921	1.6
160.09724	2.9
163.07599	1.9
164.08282	2.0
165.08994	3.0
167.10681	97.8
168.11020	3.8
174.11313	2.8
175.88768	1.6
177.05478	1.6
181.05025	2.6
184.09630	8.7
185.11731	86.2
186.12038	3.5
193.04863	1.6
196.62982	1.8
202.10707	31.9
217.07106	2.7
220.11850	10.3
234.09676	8.9
236.14873	2.7
262.12943	4.2
270.56592	1.5
310.12744	2.3
328.13849	7.4
335.50681	1.5
346.14923	3.1
346.25818	7.1
364.15942	7.3
364.26901	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	364.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.1
55.01871	10.7
57.07062	2.9
57.25697	2.7
60.04514	4.2
60.80515	2.8
67.05499	6.1
68.99780	4.2
69.03436	6.7
69.07073	6.0
69.81712	2.7
71.04998	29.4
72.04514	3.8
73.02919	3.9
79.05482	7.5
81.03432	8.3
81.07057	7.9
83.04965	3.9
85.02897	8.7
90.05554	9.4
90.82637	2.6
91.05496	12.7
93.07048	82.8
95.04989	6.6
97.02876	7.0
99.04462	89.6
99.05082	6.1
103.05489	5.5
105.07053	7.3
107.04965	4.9
107.08617	4.7
109.02882	4.6
109.06508	4.9
111.04459	4.1
113.06035	9.2
115.07623	2.8
116.03462	3.1
120.08147	4.5
121.02888	7.4
121.10152	33.7
123.04425	6.2
124.07590	5.3
127.03922	4.1
131.04904	3.4
135.04428	3.6
137.05972	3.6
139.03899	10.8
142.08566	3.2
147.04419	6.1
147.08058	3.1
149.05945	4.4
149.09639	24.2
151.03917	4.9
161.06020	2.9
163.03918	8.4
164.08128	3.8
165.01875	8.7
165.05472	3.2
165.08765	4.4
167.10675	100.0
168.10957	3.9
177.05400	4.3
181.04982	4.1
184.09735	6.5
185.11845	3.6
186.52853	3.1
191.03398	7.2
202.10803	15.0
203.03226	3.3
205.04982	43.8
207.02863	3.1
210.88435	2.9
217.05006	5.0
219.02849	3.8
220.11813	3.2
231.02917	13.0
233.08113	27.4
235.05980	3.7
245.04451	3.2
245.08054	23.4
247.06023	7.8
249.03996	4.7
251.09106	13.8
257.08179	3.7
259.09647	5.6
261.03976	4.6
263.09912	3.3
279.04892	6.6
287.09094	16.1
305.11322	6.5
317.10269	35.8
328.13684	3.3
329.10202	4.2
347.11282	10.0
365.12778	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	365.0846
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49082	1.1
71.31587	2.1
85.30548	1.2
91.79353	1.2
101.83635	1.7
179.68112	1.3
185.02940	1.8
185.04248	22.4
203.05275	49.5
204.05501	1.9
245.05133	4.1
251.06783	1.3
365.10864	100.0
366.11252	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54636	0.3
55.66453	0.3
60.02931	0.3
63.31556	0.3
64.62412	0.3
69.62403	0.3
71.30090	0.4
101.00829	0.9
105.91283	0.3
119.01841	1.2
131.01825	0.8
143.01851	0.8
144.81274	0.3
155.01830	0.8
161.02902	0.9
166.46321	0.3
173.02963	1.1
185.04224	23.2
186.04640	0.6
197.02985	0.4
203.05269	47.9
204.05658	1.1
245.05135	2.8
263.06143	0.6
275.06451	0.4
347.09653	0.5
365.10736	100.0
366.11066	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	365.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86737	0.5
69.98088	2.4
85.02857	0.7
90.55434	0.6
101.00914	2.3
119.01974	0.9
127.01271	0.5
131.01944	1.4
137.01942	0.9
137.51826	0.6
143.01898	2.7
145.03468	0.9
155.01891	1.3
161.02937	1.5
169.03656	0.8
173.02969	1.4
185.02882	1.5
185.04236	22.3
186.04604	1.1
203.05273	47.7
204.05676	1.2
215.04083	0.9
236.08989	0.6
236.11426	0.5
245.05122	4.3
289.07651	0.7
309.22101	0.6
365.10669	100.0
366.11047	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	365.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	21.1
69.03426	1.7
71.30285	1.6
74.97624	1.1
79.58553	0.9
82.87331	1.0
84.08125	1.8
84.96036	10.0
85.02898	2.7
98.97585	71.5
100.99094	1.9
101.72770	1.1
102.97038	1.3
110.97572	25.8
112.99104	4.1
115.00723	1.4
116.97791	1.3
116.98621	23.3
118.51110	1.1
122.07102	2.7
124.99161	2.6
126.97002	1.9
128.98605	20.2
129.10167	1.2
131.00146	3.8
134.99617	5.0
140.98540	2.8
141.02206	8.8
143.00148	6.5
143.03702	1.3
144.98059	4.3
145.01706	1.6
146.99669	10.9
149.01181	1.6
152.98564	1.7
153.01784	1.2
157.01659	1.3
158.99664	16.1
159.03307	23.4
161.01228	6.7
161.04852	11.3
162.99081	2.7
170.99644	7.4
173.01215	1.3
175.02737	2.3
177.00719	16.0
177.04329	15.9
179.05917	12.9
185.04190	13.8
189.00685	6.5
189.04362	2.1
195.01730	2.3
201.00703	5.0
201.04315	3.0
203.05286	28.6
204.05913	1.0
207.05313	1.3
210.02924	1.5
215.05789	1.2
219.01770	35.1
219.05197	1.8
221.06900	5.8
222.08772	2.1
231.05267	1.7
237.02809	65.2
238.03168	1.2
245.06918	3.7
255.03787	4.6
257.07062	1.3
263.07971	3.2
271.11279	1.2
278.04202	1.2
279.04865	1.6
279.07590	2.2
303.07346	3.7
305.09052	89.3
306.09488	5.1
321.08502	3.3
323.10132	100.0
324.06641	1.4
324.10239	5.1
342.07181	1.2
346.11746	2.4
365.10605	66.9
366.10950	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38228	0.6
55.01870	0.8
57.03450	0.7
63.12440	0.5
69.03430	0.5
69.04147	1.4
69.04556	5.3
72.01869	0.6
81.03349	0.6
84.15488	0.5
85.02882	1.4
95.08598	0.7
107.04945	0.7
109.02845	1.1
113.05980	0.7
128.29889	0.6
153.16904	0.6
165.01851	0.7
183.02844	0.8
185.04233	3.1
185.81628	0.6
203.06760	3.1
216.07738	1.4
217.04971	1.0
217.08629	1.7
218.05743	4.9
221.08055	4.0
223.06102	0.6
228.07535	0.6
229.04883	0.6
229.08493	0.9
230.05698	0.8
231.06546	0.9
231.10152	7.2
232.10411	0.6
233.08070	65.6
234.08415	3.7
241.08386	0.6
243.06506	2.8
244.07300	5.9
245.08049	4.8
245.11702	1.2
247.09674	1.5
255.10226	1.8
257.07956	2.9
258.08853	2.0
259.06592	1.1
259.09619	19.7
260.10040	1.0
260.24100	0.7
261.07516	0.6
263.09131	1.5
268.07431	0.7
271.09756	2.2
273.11246	7.0
283.09842	3.3
283.12360	0.6
285.07513	1.1
287.09134	32.1
288.09521	2.3
299.09149	9.4
300.09512	0.7
301.10657	1.7
311.09064	7.9
317.10175	10.5
318.10602	1.2
324.79611	0.7
329.10144	11.5
347.11264	9.4
365.12073	100.0
366.12305	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	365.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87859	0.9
53.03956	1.5
55.01868	1.5
55.05516	1.7
57.03439	1.2
65.03941	1.4
67.05155	1.1
67.05502	16.7
69.03418	1.2
69.07053	1.7
70.59053	1.5
70.59395	1.4
71.04988	89.5
78.47227	0.9
79.05490	24.7
80.05839	1.0
81.07058	5.0
83.04977	10.7
85.06537	7.7
87.04467	2.2
91.05478	36.4
93.07044	14.2
95.04976	3.4
95.08584	1.1
97.06532	2.4
103.05468	2.2
105.07024	26.5
105.07722	1.6
106.07368	1.6
107.04951	6.7
107.08576	7.3
109.06529	1.3
115.05446	4.5
116.06226	2.7
117.07014	19.8
117.07790	1.4
117.36320	0.8
119.04897	1.0
119.08578	21.7
119.09396	1.2
120.08909	1.4
121.06496	10.4
121.10127	4.7
123.08118	0.8
125.05991	6.3
128.06232	1.7
129.06996	12.4
130.07806	5.3
131.08557	100.0
132.08907	3.2
133.10121	5.9
135.08052	1.7
135.11681	3.3
137.05945	1.6
137.09637	1.9
139.07523	5.7
143.08556	3.4
145.06471	8.8
145.10117	51.4
146.10457	2.3
147.08046	5.5
147.11694	3.7
149.05978	4.2
149.09596	18.2
155.07306	0.9
155.08578	3.4
158.07283	1.5
161.09648	2.3
163.07524	1.2
163.11192	12.3
165.09093	2.5
167.07040	6.8
167.10677	1.9
173.09619	22.4
174.09908	1.8
179.10643	7.2
181.12355	0.9
191.10657	55.1
192.11009	2.8
209.11719	17.3
227.12701	4.7
347.11615	4.1
348.11783	0.9
365.12869	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	365.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00372	1.5
53.13947	1.4
55.05513	2.4
56.06262	1.8
67.05499	17.5
69.22710	6.4
69.23133	5.8
71.04990	92.4
79.05491	27.6
81.07041	4.7
83.04985	10.5
85.06525	11.5
87.04452	3.5
91.05475	33.6
93.07040	20.2
94.55043	1.4
95.04966	4.5
97.06537	1.7
103.05444	4.1
105.07022	28.1
107.04947	7.0
107.08580	8.1
109.06496	2.1
115.05465	3.3
116.06279	2.6
117.07015	20.9
119.08573	25.1
121.06493	10.8
121.10148	6.5
125.05983	7.4
128.06189	2.6
129.07001	12.0
130.07788	4.0
131.08560	100.0
132.08907	3.3
133.10135	4.3
135.11674	3.1
137.05972	4.4
139.03873	3.3
139.07544	6.8
143.08557	6.4
145.06462	10.2
145.10120	51.1
146.10475	3.3
147.08002	5.0
147.11636	2.7
149.05974	5.9
149.09630	19.1
155.08577	3.1
158.07234	1.7
161.09595	4.0
163.11197	12.5
165.09128	3.2
167.07037	9.9
167.10678	4.0
173.09627	35.0
179.10651	9.3
181.04845	1.9
182.42657	1.5
185.04199	5.9
191.10661	64.6
192.10965	2.8
203.05255	16.9
209.11710	18.0
211.17758	1.4
227.12749	5.5
255.06580	3.4
347.11520	7.8
365.10120	25.4
366.11911	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34859	0.5
56.96576	2.3
69.03442	2.6
69.48885	3.2
70.06610	1.6
74.65701	0.5
76.83986	0.5
77.00891	0.6
79.01094	0.5
81.03413	1.2
81.72220	0.5
82.99893	1.1
83.35064	0.7
85.02905	1.5
85.06618	0.5
94.99870	0.6
97.02925	0.9
98.97581	7.2
99.04494	0.9
101.00872	5.7
101.35753	0.5
103.02448	1.5
110.97607	2.0
113.00864	4.8
115.02457	2.5
116.98619	3.1
117.04037	2.2
119.01918	8.7
119.02644	0.7
120.02058	0.8
121.03521	1.0
124.99162	0.6
127.02428	0.9
128.98584	1.4
129.03976	0.8
131.01906	13.3
131.05582	2.1
132.02068	0.8
133.03448	4.1
135.01656	0.6
135.05080	2.3
137.02982	0.8
139.02650	0.7
141.03923	1.5
143.00212	2.6
143.01924	3.3
143.05492	3.0
145.01694	1.1
145.03465	7.4
146.03639	0.6
146.99652	1.1
147.03244	0.9
147.05089	1.3
149.03038	1.7
149.06616	2.6
151.60825	0.5
153.01854	0.7
155.01878	9.0
155.05638	0.6
156.02660	1.7
157.03513	2.7
158.99747	2.0
159.05026	3.7
161.01276	4.6
161.02960	6.0
161.06590	30.9
162.06844	1.6
163.02792	0.7
163.04596	1.0
163.06190	0.6
167.01843	0.7
167.05638	1.2
169.03601	1.0
171.05109	1.8
173.02948	11.0
173.06589	5.4
174.97728	0.6
175.04559	0.8
177.00949	1.8
177.06180	0.8
179.02336	1.1
179.07660	12.4
180.07851	0.7
181.03503	1.3
181.07195	0.7
185.01427	1.1
185.02924	2.5
185.04311	8.4
185.06683	11.0
186.03218	0.7
186.06808	0.7
187.02786	0.6
187.04602	1.2
187.08177	3.1
189.06143	2.1
191.05949	0.6
191.07669	1.2
195.05060	0.6
196.02167	0.9
197.02986	1.6
197.06575	7.2
197.08066	0.6
199.08165	3.8
201.04279	0.8
202.06886	1.1
203.02316	4.0
203.05391	17.6
203.07721	34.7
204.05907	1.2
204.07901	2.3
205.09366	0.6
208.99852	0.9
209.06667	1.9
210.04781	2.3
215.04283	1.7
215.07642	40.3
216.07851	3.8
217.09204	7.7
218.09425	0.7
219.01923	1.9
220.98015	0.8
221.05013	12.4
222.05220	1.3
223.05022	1.1
227.04250	1.1
227.07745	5.0
229.09283	1.7
234.01698	0.7
234.04739	1.6
234.99815	0.6
237.02858	1.4
239.07640	12.5
240.08000	0.6
245.05215	4.3
245.08781	4.8
247.10023	0.7
252.05838	4.4
257.01813	0.8
257.08743	2.5
259.00092	1.5
261.08353	0.8
269.08664	0.8
275.02933	0.9
275.06210	1.0
275.09842	3.4
276.09964	0.7
277.01123	1.5
283.00107	2.6
284.00262	0.6
287.09766	4.0
301.01083	5.1
302.01263	1.0
305.10800	100.0
306.11017	10.1
323.11905	24.3
324.12134	2.6
340.95932	1.3
346.13632	1.2
365.10361	40.9
366.10852	1.0
376.76144	0.7
383.01868	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45951	0.2
57.95559	0.2
62.34219	0.2
70.43671	0.7
81.07043	0.4
90.60595	0.2
91.05466	0.3
93.07005	0.3
96.70840	0.2
105.07006	0.4
121.10141	0.3
126.40363	0.2
137.05977	0.3
145.10124	0.7
163.11206	0.9
185.09367	2.3
201.03648	0.4
203.05281	2.2
203.10408	3.2
365.15662	100.0
366.16003	7.4
388.22211	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1569
Annotation	Arg Cys Ser
Peak:m/z	Relative Intensity
55.45951	0.2
57.95559	0.2
62.34219	0.2
70.43671	0.7
81.07043	0.4
90.60595	0.2
91.05466	0.3
93.07005	0.3
96.70840	0.2
105.07006	0.4
121.10141	0.3
126.40363	0.2
137.05977	0.3
145.10124	0.7
163.11206	0.9
185.09367	2.3
201.03648	0.4
203.05281	2.2
203.10408	3.2
365.15662	100.0
366.16003	7.4
388.22211	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1747
Annotation	Cudraphenone A
Peak:m/z	Relative Intensity
53.03939	0.8
55.01867	2.2
55.05509	2.6
59.51880	0.7
65.03933	1.6
66.27309	0.8
67.05492	4.0
69.07063	2.2
69.64110	3.9
71.04985	0.8
79.05499	4.4
81.03415	0.9
81.07058	5.0
83.08603	1.2
85.06541	0.7
91.04935	1.5
91.05478	22.4
93.07039	5.1
94.04171	2.5
95.04945	3.8
95.08608	4.7
97.06523	1.5
97.10149	1.2
99.08096	1.3
103.05483	3.8
104.06272	1.0
105.07021	7.0
107.04948	5.1
107.08575	3.6
109.06499	1.5
109.10159	2.0
113.09634	0.8
115.05438	4.1
116.06227	0.8
117.07030	5.1
119.04938	12.9
119.08601	4.4
121.06546	1.6
121.10135	2.2
122.03654	6.9
123.08025	0.7
125.09687	0.8
128.06226	8.5
129.07007	3.3
130.07794	2.1
131.04964	3.4
131.08566	2.2
132.05688	5.1
133.06471	1.0
133.10129	1.9
135.08080	1.7
135.11667	0.7
136.05229	1.7
137.05974	88.3
138.06332	2.5
142.07719	1.1
143.08559	25.8
145.06493	6.6
145.10124	8.6
146.07275	3.1
147.08032	5.7
149.05962	1.4
149.09627	1.1
151.07539	50.2
152.07864	2.3
153.07036	1.2
155.05974	1.0
155.08551	2.8
157.06462	1.1
158.07268	7.6
159.08005	1.6
159.11755	1.1
160.05188	4.2
160.08884	2.6
161.05966	1.2
161.09602	3.4
163.07512	5.5
163.11159	1.4
164.08292	2.1
165.09077	3.8
168.09264	1.0
171.08051	26.0
171.11786	0.7
172.08759	3.8
172.55327	0.8
173.05960	3.7
173.09608	9.9
174.06761	6.0
175.07542	95.4
176.07880	5.0
177.09128	1.2
181.10139	2.7
182.07266	0.9
183.08041	3.0
183.11731	1.6
187.07687	1.0
187.55566	0.8
188.06575	1.4
188.08316	31.9
189.09100	98.9
190.09453	4.8
195.08043	1.6
197.09686	2.2
198.10406	3.0
199.11035	0.9
201.09108	13.8
203.10666	100.0
204.11075	7.1
209.09642	3.5
210.10400	9.5
211.07539	10.5
213.09106	2.3
213.12671	4.3
225.09047	1.3
226.09880	27.7
227.10699	3.7
227.12715	1.0
228.11426	1.7
229.12244	3.9
235.07500	2.2
241.12227	67.8
242.12564	5.6
249.09052	3.7
251.06992	1.4
251.10715	0.9
261.08905	0.9
262.10123	0.9
263.06976	1.9
263.10596	0.9
265.08557	1.7
266.09460	0.8
273.12549	1.7
274.13577	0.8
275.10672	3.3
276.11374	1.4
277.08633	2.6
278.09317	6.6
279.06454	1.0
279.09766	1.4
281.08197	0.9
289.08615	1.1
291.10117	1.6
291.19589	2.7
293.11710	1.4
294.08920	2.8
298.70227	0.8
301.12296	1.1
303.10132	1.8
304.11008	0.9
305.15222	1.6
306.09198	1.0
307.09598	2.3
307.13077	1.3
308.14127	0.7
309.11188	13.1
310.11417	1.0
318.12576	2.4
319.13208	1.5
321.11212	4.9
322.11807	2.8
323.12909	1.1
333.14767	6.1
334.15408	2.1
335.12729	1.7
336.13474	2.2
347.16602	1.2
347.21857	0.9
350.15036	1.7
365.17453	38.5
365.23022	2.6
365.27881	1.6
365.33044	1.6
366.17865	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	365.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.4
57.03423	0.4
67.05494	2.4
69.03436	0.6
69.07054	2.4
71.31725	0.7
79.05489	2.1
81.03390	0.6
81.07053	2.5
83.04955	0.5
83.08593	1.1
84.50970	0.4
86.61914	0.4
91.05478	2.0
93.07043	1.8
95.04961	1.0
95.08607	2.4
97.06512	0.7
97.10137	0.5
105.07047	2.0
107.04935	0.9
107.08592	1.6
109.02895	0.9
109.10162	1.4
111.08086	0.7
113.05991	0.5
117.07007	0.6
119.08565	2.1
121.10154	1.5
123.08092	0.7
123.11761	0.5
131.08565	1.1
133.10135	1.7
134.11050	0.5
135.08076	0.7
135.11722	0.8
137.05963	2.8
143.08562	1.4
145.10149	1.2
147.08038	0.6
147.11707	0.7
149.13251	0.6
149.71809	0.5
151.07539	2.3
151.11215	0.5
157.10129	0.7
159.11577	0.6
161.13290	0.7
161.32657	0.5
165.09068	0.4
171.07982	1.0
171.11780	0.8
175.07536	2.5
175.14729	0.9
183.11734	0.5
187.14992	0.7
188.08350	0.9
189.09073	2.9
203.10719	3.3
226.09708	0.5
241.12248	1.6
291.19504	1.1
301.17972	0.7
309.11322	0.5
365.22955	100.0
366.23270	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31788	0.9
55.05495	1.5
67.05498	2.1
69.07076	1.4
69.64388	1.7
69.64688	6.0
79.05481	2.5
81.07059	3.2
91.05468	2.3
93.07047	2.1
95.04950	1.4
95.08591	1.6
98.23248	1.3
101.80318	1.2
105.07008	2.8
107.08584	1.7
109.10171	1.6
111.55482	1.0
116.04489	1.0
117.07072	1.2
119.08590	1.7
121.10133	1.8
131.08528	1.2
133.10118	1.6
145.10165	2.4
203.14262	1.2
205.08376	1.9
233.40652	1.2
295.15149	1.8
365.19235	9.7
365.23041	100.0
366.19424	2.0
366.23312	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.23
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
52.05383	0.4
53.03933	1.1
55.01858	1.9
55.05510	7.2
57.03428	2.6
57.07061	1.1
67.05507	8.8
69.03425	3.8
69.07068	8.9
69.69878	0.5
71.04990	0.9
74.55267	0.5
79.05062	0.7
79.05494	8.0
81.03417	1.7
81.07058	7.9
83.04975	1.9
83.08611	2.6
85.06551	1.1
86.06104	0.5
91.05476	6.6
93.07050	6.0
95.04962	2.9
95.08611	5.7
97.02879	2.7
97.06540	1.2
97.10172	3.3
99.04479	0.6
103.05451	1.1
105.07033	4.9
106.07375	0.6
107.04953	1.7
107.08601	5.0
109.02915	0.5
109.06521	1.4
109.10143	4.8
111.04421	1.0
111.08059	1.8
117.07008	1.8
119.08576	4.8
121.06517	1.9
121.10172	3.5
123.08064	2.0
123.11739	0.8
125.05989	0.6
125.09637	2.8
129.07008	1.1
131.08540	2.8
133.06493	0.9
133.10130	3.7
135.08041	1.8
135.11697	1.6
137.05962	1.4
137.09598	1.9
143.08562	1.5
145.06422	0.6
145.10083	3.2
147.08040	1.6
147.11647	1.7
149.09647	1.2
149.13277	1.2
151.07507	0.8
151.11197	1.1
155.08521	0.7
157.10149	1.1
158.55156	0.5
159.11694	1.6
160.85158	0.5
161.06010	0.8
161.09598	0.9
163.07487	0.7
163.11259	0.5
163.14873	0.5
165.09186	0.8
171.11707	0.8
173.13263	1.2
175.11206	0.9
180.48131	0.5
185.13232	0.7
189.09009	0.5
189.11111	1.0
189.12712	0.7
189.16400	0.6
195.09938	2.0
195.11565	0.6
203.29875	0.5
205.12202	0.9
221.11638	0.6
223.13301	5.7
227.17953	0.6
233.08099	0.8
257.19116	0.5
273.18365	2.6
291.19519	15.6
292.19907	0.9
295.15057	0.9
313.27414	0.5
347.05356	1.0
347.18369	0.7
347.22183	1.0
354.80280	0.5
365.19247	8.3
365.22998	100.0
366.19321	0.6
366.23251	6.4
366.27148	0.7
382.73877	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.232
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
55.01865	1.7
55.05510	4.3
57.03446	1.7
57.07075	4.2
59.05000	3.7
67.05511	9.5
69.03426	8.1
69.07050	9.9
69.22250	4.4
69.22672	6.0
71.04987	21.3
73.92895	1.1
77.11893	1.2
79.05496	5.8
81.07063	11.5
83.04990	3.6
83.08629	3.5
85.06557	2.2
87.04478	4.2
91.05480	6.0
93.07044	11.0
95.04985	2.0
95.08591	12.0
97.06517	25.7
97.10166	2.5
98.11551	1.4
98.22508	1.3
103.05407	1.5
105.07044	7.6
105.10436	1.2
107.04986	2.0
107.08595	10.9
109.06496	2.4
109.10153	8.5
111.08099	5.5
113.06024	2.2
113.09661	2.5
115.03898	1.4
117.07022	2.4
119.08575	7.8
121.06508	3.6
121.10139	19.7
123.08083	6.1
123.11729	6.2
125.09628	3.7
131.08597	3.8
133.10141	4.2
135.08095	3.1
135.11656	6.4
137.05959	3.5
137.09641	4.8
139.07518	1.8
139.11169	22.8
143.07051	1.3
143.08580	3.9
145.10112	6.8
147.11742	3.8
149.09637	7.8
149.13281	5.3
150.10419	6.4
151.07530	2.4
151.11166	3.3
153.09128	2.0
153.12733	3.0
155.10703	4.6
158.07187	1.7
158.10927	1.8
159.11674	3.1
161.09589	1.9
161.13235	2.5
163.07649	1.7
163.11157	6.9
163.14813	1.9
165.09108	1.7
165.12759	6.1
165.64288	1.2
167.10666	15.5
171.11670	2.3
173.09598	2.7
173.13271	2.8
175.07515	2.6
175.14928	1.4
177.09125	3.3
179.10551	1.4
179.73480	1.6
181.08746	1.4
181.10529	1.1
181.12242	6.0
183.13907	2.7
191.10669	6.1
191.14247	7.0
194.02930	1.4
195.10316	1.6
201.09171	2.1
203.10580	1.7
209.09633	1.9
209.15381	13.6
219.13884	4.8
223.17007	1.8
226.09822	1.8
233.15363	2.1
237.14836	81.8
238.15266	3.7
241.12218	8.5
249.18491	4.8
251.16428	24.6
261.14722	3.2
277.17953	100.0
278.18207	8.0
279.15887	67.9
280.16190	3.8
295.19095	1.9
297.31158	1.2
329.21158	2.3
332.13934	1.8
347.22055	10.5
365.13599	1.8
365.17535	4.7
365.23154	11.2
365.27493	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.5
55.01870	9.1
55.05514	21.3
57.03425	12.4
57.07066	6.2
59.05016	5.7
61.02913	14.9
65.03933	4.5
67.05510	32.1
69.03427	37.8
69.07061	18.7
70.28091	4.9
71.01348	4.8
71.04993	30.1
71.31593	6.7
73.02911	9.9
74.29411	3.9
79.05492	25.6
81.03409	25.0
81.07056	46.0
83.04980	9.8
83.08628	7.0
85.02898	48.1
85.06522	6.5
91.03886	4.1
91.05471	40.1
93.07040	46.0
95.04951	16.7
95.08604	63.6
97.02882	16.7
97.06512	11.9
97.10134	5.8
99.04446	10.3
99.08083	4.3
103.03938	9.0
105.07032	68.1
107.04950	7.2
107.08604	43.5
109.02879	7.8
109.06515	9.4
109.10151	28.7
111.04456	12.5
115.03928	6.1
117.07004	16.2
119.04917	10.8
119.08582	71.0
121.06488	10.7
121.10130	34.6
123.04446	7.4
123.08064	10.6
123.11712	15.8
125.09633	9.9
127.03919	8.5
127.11184	11.6
128.06223	12.3
129.05469	5.4
129.07005	15.8
129.97923	3.7
130.07773	4.5
131.08566	52.1
131.38625	4.0
133.06491	7.1
133.10121	46.4
135.08037	11.4
135.11696	18.3
137.05948	4.8
137.09613	11.3
141.06993	7.2
142.07736	5.7
143.08562	36.7
143.10678	6.3
144.09294	6.6
145.04839	4.0
145.06485	6.6
145.10112	69.6
147.08040	13.0
147.11681	47.7
149.09641	11.6
149.13271	12.2
153.12761	4.5
155.08545	10.8
156.09351	7.8
157.10120	35.4
158.10910	5.0
159.06757	3.9
159.08015	13.3
159.11697	66.5
161.05965	13.3
161.09599	13.4
161.13264	19.4
163.11122	6.9
165.06941	4.3
169.10129	15.7
170.10910	7.0
171.08067	14.3
171.11693	30.1
173.09665	11.3
173.13260	31.7
175.07567	4.6
175.11124	10.0
175.14784	14.7
175.16238	3.7
181.10043	5.8
183.11696	18.0
185.13197	18.0
187.11295	11.2
187.14822	28.3
189.09125	11.1
189.12816	7.4
189.16394	54.2
191.10686	4.2
193.10294	4.0
193.12230	3.6
195.11703	8.0
197.13274	12.6
199.14796	8.3
201.12746	13.5
201.16350	37.0
203.06941	5.7
203.14371	6.4
203.17952	14.4
205.12228	3.8
207.10136	10.6
209.11659	7.2
213.12825	7.9
213.16362	13.5
215.17957	16.8
219.13680	3.4
223.14839	5.5
225.12817	10.6
225.16266	7.9
227.14296	7.6
227.17964	15.8
229.15773	5.1
229.19505	4.3
231.17467	9.0
233.08125	6.9
233.19048	6.1
239.17961	4.7
241.15800	5.8
243.13818	8.3
243.17477	8.5
245.19000	9.8
251.17871	5.0
257.19159	5.8
259.09818	4.1
261.14865	8.6
261.18491	5.4
269.19034	7.6
279.15872	4.6
283.20074	4.6
287.20108	4.3
299.20029	8.7
311.20004	12.6
329.21088	33.6
347.22153	35.1
365.23260	100.0
366.23431	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	365.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.3
57.07074	13.1
58.06630	0.6
67.05494	3.3
69.07053	2.3
79.05469	1.7
81.07040	4.2
83.04990	0.7
83.08604	1.3
85.06535	7.7
85.66306	0.6
91.05479	7.2
92.05816	0.8
93.07045	2.6
95.04955	0.8
95.08621	4.6
97.06524	0.9
97.10158	1.0
99.39297	0.6
105.06999	1.3
107.08574	1.7
109.06512	12.7
109.10160	1.4
111.08009	0.7
119.08572	2.2
121.10174	1.1
123.08067	3.4
128.69170	0.6
131.08536	1.0
133.10066	0.9
135.08162	0.8
135.11711	0.8
137.05933	1.7
145.10098	0.9
147.11655	1.0
151.07535	8.2
157.10075	0.8
159.11671	1.1
165.12723	1.0
171.11711	0.8
185.04224	3.6
185.13246	0.8
193.12283	0.8
203.05252	5.9
211.14934	0.6
214.77620	0.6
221.08597	0.7
263.20044	100.0
264.20432	7.0
365.10532	10.3
365.27316	1.3
366.28036	1.2
368.70483	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	1.0
55.01873	1.6
56.62904	0.3
57.03440	3.3
59.04975	0.6
60.04522	2.1
61.02925	2.7
63.87307	0.3
65.03941	0.3
67.05491	0.4
67.45712	0.3
69.03426	11.2
69.07050	0.4
69.90279	0.2
70.92275	0.5
71.01325	1.1
71.04987	2.6
73.02929	1.2
75.04459	0.4
79.05489	1.4
81.03401	2.0
81.07040	0.6
85.02880	0.6
87.04440	0.4
91.05450	0.9
93.07044	0.4
94.12628	0.2
95.08601	0.4
97.02904	0.3
97.06513	0.4
97.97859	0.3
99.04456	2.8
104.04978	0.6
105.04519	0.3
105.05779	0.4
106.05901	0.3
106.06550	3.4
106.24949	0.3
107.08582	0.4
109.02848	0.4
109.06462	0.3
116.04966	3.5
117.05442	0.8
118.05296	2.9
118.06512	0.5
120.08081	0.3
122.05935	0.2
124.07545	0.5
127.03850	0.4
128.05006	0.3
130.06448	0.4
131.06042	2.5
131.08443	0.5
132.06848	0.4
133.07608	10.0
134.05975	0.8
134.07901	0.5
143.06071	2.0
144.04471	0.5
144.06787	0.6
145.07602	13.2
146.08313	1.1
147.09158	2.7
148.06317	0.4
149.09511	0.3
149.10689	0.3
151.11142	0.3
155.05986	0.4
157.07681	1.2
157.08754	0.3
158.04723	0.9
158.08366	0.5
159.09125	1.0
161.07111	2.4
163.08662	14.9
164.09055	0.6
169.07527	0.3
169.12222	0.7
170.08379	0.6
171.05495	0.8
171.09158	1.0
173.07100	1.6
173.10606	0.4
173.11847	0.3
175.08665	4.3
176.09387	1.0
177.06580	3.0
177.10262	0.3
183.09128	0.9
184.09917	0.4
185.10703	1.1
187.08678	0.4
188.09521	0.3
189.06577	8.2
189.10182	0.5
190.06961	0.5
191.08168	1.2
196.00140	0.3
199.08658	0.4
200.09427	1.7
201.10220	2.5
202.10968	0.7
203.08142	0.6
203.11711	0.7
205.09776	1.0
207.07643	100.0
208.07986	4.5
213.10194	1.0
214.06133	1.7
215.08156	0.7
215.11832	0.9
217.09729	0.6
229.09770	1.4
230.10382	0.6
231.11147	1.2
232.07155	13.1
233.07504	0.7
235.05858	0.3
241.09694	0.5
243.11046	0.3
249.08655	0.6
249.12372	1.1
257.09012	0.4
261.12177	1.4
263.08481	2.3
263.28745	0.3
269.09213	0.7
275.10291	1.0
278.12332	0.3
279.13358	7.4
280.13763	0.4
281.14877	1.4
287.10309	1.2
294.24274	0.3
305.11313	2.9
306.11676	0.3
312.25439	0.4
323.12360	51.1
324.12729	3.5
330.26379	0.7
348.11853	4.5
348.27304	0.6
349.12103	0.4
366.12970	46.5
366.28534	0.8
367.13263	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	366.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43711	4.8
54.44084	5.5
55.01857	6.5
55.05507	7.8
57.03431	7.8
61.02927	6.5
67.05505	8.7
69.03429	15.4
69.07035	5.2
70.32585	12.7
70.32960	9.8
71.04996	9.6
79.05517	6.5
80.78335	5.3
81.03407	6.8
81.07050	31.3
85.02894	10.9
91.05462	7.6
93.07047	14.9
97.02891	11.6
97.06549	8.0
107.08588	36.3
109.02886	6.3
109.06487	12.8
109.10149	11.7
116.04978	7.7
118.93979	5.2
120.34896	5.3
123.11737	28.7
127.03907	11.4
133.07652	8.4
133.10132	5.0
137.05969	5.6
147.09166	7.2
151.11150	36.4
163.08629	12.6
163.35161	5.7
169.12227	47.3
187.09735	7.8
207.07620	100.0
232.06992	7.0
263.08545	6.6
277.05051	5.9
279.13455	7.5
281.15045	11.8
323.12317	54.9
366.12967	38.3
367.13663	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	3.3
55.01868	2.0
55.05505	2.1
57.03431	1.7
59.59582	1.5
67.05515	3.8
67.61745	1.6
68.83726	1.5
69.03426	5.0
69.07075	4.8
69.09013	11.6
69.09415	3.9
70.06588	12.3
71.04993	14.8
79.05499	21.4
81.03421	2.4
81.07056	100.0
82.07388	3.4
83.04971	8.6
85.02912	4.9
91.05479	6.3
93.07024	4.1
95.08609	3.2
97.06562	2.6
100.26126	1.6
105.07064	3.5
107.04948	1.7
107.08603	3.8
107.69334	1.7
109.02852	1.8
109.10181	5.8
115.07631	2.1
116.07101	23.4
117.06951	1.7
119.04945	5.5
123.11727	4.7
130.06511	3.5
131.08582	2.6
133.10144	1.7
147.04424	16.9
151.11205	4.5
157.06465	2.2
159.08138	2.2
162.03357	1.6
163.03931	5.4
169.12239	94.2
170.12624	5.0
172.20987	1.6
173.06119	1.7
185.04204	3.3
187.07539	1.8
187.13338	3.2
189.09102	3.3
203.03163	32.3
204.03514	41.9
204.13773	2.1
205.03775	1.8
215.06961	3.8
233.08125	5.2
234.08632	2.6
251.09200	2.5
258.54376	1.9
267.78992	1.6
281.14981	3.8
366.08862	14.0
366.12692	2.0
367.09219	2.0
367.13480	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	366.212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	4.4
58.32547	4.0
58.63144	4.6
59.83936	4.2
64.69997	3.8
67.05489	18.4
70.83224	4.7
71.04979	19.6
71.32469	7.1
77.84058	4.0
80.29230	4.0
81.03423	5.6
81.07051	21.4
85.02886	14.3
85.06535	46.2
91.05468	12.7
93.07031	9.2
94.53481	4.0
95.08575	5.3
105.07006	21.0
107.08592	22.9
109.10162	46.5
123.11700	6.9
130.06534	11.3
133.10118	61.5
151.11194	57.3
169.12231	48.0
176.07034	6.5
187.13281	100.0
187.14870	8.7
188.13660	6.0
206.09296	5.6
207.09766	4.8
210.08505	5.0
226.15414	4.5
233.08104	28.7
234.08414	67.6
235.09096	9.0
245.07849	6.1
246.08470	11.9
259.09335	11.9
260.10071	7.3
264.09525	10.4
273.07068	5.8
274.11554	20.1
287.09067	9.4
288.09436	52.7
289.09930	4.9
302.11005	11.0
318.10516	36.1
330.10483	18.5
348.11563	42.3
366.12543	88.8
366.16983	4.3
367.13144	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	366.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67298	2.0
52.77537	1.8
55.01892	2.9
55.05502	3.7
57.03430	5.3
60.04510	3.4
61.02938	3.0
67.05492	4.4
69.03415	11.3
69.07025	2.1
69.64692	9.5
71.04982	4.0
79.05486	9.2
81.03415	3.3
81.07052	55.2
82.07380	2.5
82.94183	2.0
83.04963	7.0
85.02899	11.4
85.06526	2.2
86.09705	3.4
86.53172	2.0
91.05444	3.7
91.64265	1.7
93.07040	8.3
95.04953	3.6
95.08598	5.6
97.02887	3.1
97.06538	3.2
99.04412	3.3
99.08083	2.8
105.07034	5.8
107.08586	5.5
109.06511	2.4
109.10168	6.3
113.70290	2.1
121.06500	2.6
123.04412	3.8
123.08062	3.8
123.11687	8.0
127.03881	5.5
128.75412	2.1
130.06474	2.1
131.08450	2.1
133.10146	8.6
141.09111	3.3
147.09163	80.8
147.10341	4.7
151.04039	2.5
151.11145	6.2
153.76483	2.4
156.19022	1.9
167.07010	4.0
169.12262	5.7
181.04900	2.6
183.06487	3.7
187.09624	3.7
189.10217	5.2
203.07042	2.3
204.07286	2.8
206.04430	2.6
210.56241	1.8
223.05998	2.8
239.31628	2.2
243.12018	2.6
249.06851	2.0
263.08481	23.3
264.08768	4.0
264.93826	2.4
281.14941	100.0
324.15494	4.1
350.13431	30.8
366.11111	29.5
377.70047	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13717	2.5
62.96593	2.3
69.96337	4.2
69.96748	7.9
77.65369	2.8
78.58669	2.5
87.89459	2.8
98.23258	2.9
106.63202	2.4
144.42181	2.6
160.45418	2.9
203.05255	3.3
231.81572	2.5
367.10016	100.0
368.10510	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1172
Annotation	Candidusin C
Peak:m/z	Relative Intensity
52.90469	0.8
55.01867	3.8
55.05511	1.5
65.03919	0.6
66.80538	0.8
67.05489	3.0
69.07068	0.7
69.54855	4.1
79.05484	2.5
81.07040	2.9
91.05454	1.6
93.07035	1.3
95.08585	2.1
98.22700	0.9
104.53402	0.6
105.07027	1.3
107.04930	1.3
107.08582	1.2
109.10126	1.2
117.06983	0.8
119.08550	1.0
123.04399	5.1
123.11683	0.8
131.04919	1.5
131.08582	0.7
133.10135	1.0
135.11780	0.9
138.90990	0.7
139.11064	0.6
141.06982	0.7
145.10138	1.2
159.11728	0.9
165.06967	2.7
177.05490	0.8
177.07010	1.8
178.07706	5.7
179.08481	1.4
181.06499	1.1
187.07497	0.9
189.06956	5.8
190.07762	3.7
191.08542	4.2
193.06474	2.3
194.07245	2.1
196.66432	0.9
202.07774	3.5
203.08511	2.4
205.06480	5.8
206.07253	2.4
207.08023	4.5
207.09879	1.4
208.08754	3.0
209.06046	0.7
210.06708	0.9
215.08649	1.3
217.06522	1.5
218.07253	20.0
219.08070	6.7
220.08788	3.2
221.05972	5.6
221.09563	1.8
222.06683	1.2
223.07487	1.2
229.06895	0.7
231.07936	4.0
232.08705	0.9
233.05923	1.1
233.09650	1.5
234.06752	7.5
235.07462	7.9
236.08209	5.2
237.09007	1.5
245.05905	1.1
246.06741	7.2
247.07503	6.5
248.08347	4.6
249.05501	4.2
249.09021	2.7
250.06209	1.0
250.09912	0.9
251.06882	1.4
251.10573	1.0
259.07382	0.7
261.06119	1.4
261.09048	13.9
262.06265	1.4
262.09650	1.3
263.07043	4.4
264.07773	15.5
265.08514	6.0
268.07297	1.5
274.06204	2.1
275.07028	1.9
275.20065	1.5
276.07889	1.4
277.05194	1.6
277.08588	5.6
278.09369	6.5
279.06952	0.7
279.10037	3.2
281.08069	1.7
289.08588	12.7
290.09155	1.1
291.06381	1.5
292.07260	11.9
293.08057	4.8
303.06317	0.8
305.08099	1.6
306.08823	2.1
307.06259	1.4
307.09598	16.7
308.10187	3.8
317.08090	7.2
318.08423	0.9
320.06750	2.2
321.07428	1.7
324.09808	0.8
335.09100	100.0
336.09534	13.2
339.12509	1.0
366.33990	1.2
367.11667	13.2
367.20151	3.0
367.25015	1.8
368.12262	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74230	0.8
53.89007	0.7
55.01860	3.5
55.05495	1.1
57.03424	1.0
59.05005	0.8
67.05502	2.6
69.07060	1.4
69.55585	4.4
73.15480	0.7
79.05473	2.5
81.07041	2.9
91.05472	2.5
93.07030	1.0
95.08589	2.7
103.05481	0.8
105.07048	2.2
106.85764	0.7
107.04954	1.2
107.08569	1.0
109.10098	1.3
115.05435	0.8
119.08585	1.2
121.10101	1.2
123.04414	4.6
129.07040	1.4
131.04904	1.2
131.08501	1.0
133.10065	1.4
137.81367	1.0
149.05948	1.0
161.05945	1.2
165.06998	2.4
176.06215	0.8
178.07698	4.1
179.08502	2.2
181.06487	1.5
189.06961	6.2
190.07718	4.5
191.08514	3.8
193.06496	2.1
194.07144	1.1
195.08052	0.9
202.07721	3.7
203.08562	3.0
205.06442	4.8
206.07231	2.6
207.08083	5.4
208.08804	3.6
209.09464	0.9
210.06624	1.0
217.06467	1.4
218.07256	16.3
219.07994	4.8
220.08777	3.2
221.05919	6.2
221.09619	2.3
222.06625	1.5
223.07309	1.1
228.18047	0.7
229.06477	1.1
231.08067	4.1
233.05811	1.8
233.09550	1.8
234.06697	6.4
235.07552	7.6
236.08228	5.1
237.08925	1.7
246.06750	8.5
247.07581	7.1
248.08287	5.1
249.05490	2.7
249.08981	4.0
250.06152	1.5
250.09567	1.0
251.06935	0.9
259.07370	1.1
261.09085	14.3
262.06262	1.6
262.09576	1.3
263.07016	4.4
264.07797	13.0
265.08517	4.5
268.07242	1.4
274.06180	2.1
275.07010	2.6
276.07825	3.2
277.08502	5.8
278.09274	5.7
279.09961	4.4
285.09924	1.7
289.08539	12.2
291.06461	1.4
292.07257	11.9
293.08035	5.3
305.08096	2.9
306.08707	2.1
307.09625	15.2
308.10098	4.1
317.08047	6.4
320.06711	1.9
321.07343	1.6
335.09088	100.0
336.09647	10.8
339.12482	1.5
367.05734	1.4
367.11612	13.1
367.15771	1.9
367.20956	17.2
367.24414	1.0
367.28421	6.3
368.12332	1.4
368.21027	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1175
Annotation	Candidusin C
Peak:m/z	Relative Intensity
55.01870	3.3
55.05475	0.8
63.45045	0.5
65.03880	0.6
67.05483	1.2
69.07037	1.1
69.64321	2.8
79.05444	1.6
81.07026	1.9
83.08578	0.9
91.05428	1.7
93.07008	1.3
95.04942	0.9
95.08562	1.5
105.06999	1.1
107.04905	1.7
107.08551	1.5
107.67055	0.6
109.06435	0.5
109.10141	0.7
115.05443	0.5
119.04906	0.7
119.08533	1.0
121.02869	0.7
121.10144	0.9
131.04907	1.3
131.08459	0.6
133.06480	0.5
133.10135	0.7
141.06880	0.6
144.73701	0.5
145.06427	0.8
152.06137	0.7
153.06876	0.5
159.11732	0.6
165.06973	2.8
177.06990	0.9
178.07762	5.2
179.08583	2.4
181.06462	1.1
187.14696	0.6
189.06995	5.1
190.07774	4.1
191.08554	3.9
193.06468	2.1
193.10156	0.6
194.07204	1.6
195.07980	1.1
201.05180	0.6
202.07729	4.4
203.08505	2.8
205.06429	4.2
206.07178	2.8
207.08035	6.1
208.08801	2.8
209.09639	0.7
210.06750	0.5
215.08667	1.2
217.06447	0.9
218.05232	1.0
218.07253	17.4
219.08009	7.7
220.08766	3.4
221.06029	6.2
221.09561	1.6
222.06563	1.5
231.08041	4.5
233.05910	0.9
233.09563	1.7
234.06705	7.4
235.07486	7.6
236.08269	6.8
237.08966	1.3
240.07837	0.6
245.05965	0.7
246.06775	6.9
247.07468	6.7
248.08286	5.7
249.05426	2.8
249.09160	3.0
250.06053	1.0
251.10678	1.2
252.07761	0.7
253.08524	0.9
258.06738	1.1
259.07541	0.6
260.08191	0.6
261.05292	1.1
261.09109	12.4
262.06219	1.6
262.09265	1.1
263.07037	4.8
264.07791	15.1
265.08521	4.0
268.07291	0.9
273.05298	0.7
274.06195	3.2
275.06940	2.0
275.19968	0.6
276.07825	3.2
277.05591	0.8
277.08569	6.1
278.06027	0.9
278.09344	6.1
279.10086	3.1
281.07974	0.8
289.08557	14.5
290.09009	0.9
291.06467	1.6
292.07278	12.1
293.08002	6.0
303.06464	0.8
305.08017	3.4
306.08829	1.5
307.09613	16.0
308.10275	3.7
309.07550	1.3
317.08087	7.5
318.08600	0.6
320.06738	1.7
321.07449	0.9
335.09103	100.0
336.09549	11.5
339.11789	0.7
352.09512	0.9
367.11713	19.1
367.16367	0.6
367.21130	5.8
367.25531	0.9
368.11893	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06176	0.2
61.57274	0.2
65.03928	1.0
67.05511	0.3
69.04219	2.8
70.06602	0.3
70.70615	0.2
75.30395	0.2
91.05478	12.0
92.21215	0.3
119.04939	29.4
120.05271	0.8
130.06529	3.8
132.04453	0.9
146.05986	0.4
147.04402	100.0
148.04727	3.6
157.07616	3.6
158.06013	2.1
158.08133	0.3
159.09222	0.3
167.54016	0.3
175.08672	4.1
185.07137	0.6
203.08156	9.5
209.22108	0.2
219.07629	0.5
221.09206	3.1
349.11737	0.4
367.13031	0.7
368.12912	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32852	0.8
58.15981	0.7
59.88430	0.7
70.25545	2.1
89.92789	1.0
171.04214	2.5
186.06505	36.0
187.07187	2.6
187.69160	0.9
220.16095	0.8
299.48895	1.0
309.92206	1.0
367.15146	100.0
368.15451	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	367.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.8
67.05498	1.5
69.21185	6.1
79.05482	0.8
81.07043	1.5
93.07015	0.7
95.08605	0.8
101.63263	0.6
105.07009	1.4
107.08556	1.0
116.31715	0.9
119.08572	0.8
123.07973	0.8
171.04189	1.0
186.06514	18.9
187.07208	1.2
203.06935	0.8
275.20111	1.4
325.29556	0.7
367.15161	100.0
367.20831	38.1
368.15518	9.9
368.21188	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	367.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96326	2.1
56.96567	23.2
67.05500	1.4
70.27456	1.3
70.41139	2.9
70.41479	2.0
71.95253	3.6
78.68102	1.2
79.05480	4.4
81.07046	7.7
97.96812	1.6
98.97547	2.2
110.97560	3.8
115.00695	1.5
128.98587	3.7
141.02245	1.7
146.12393	1.3
146.99635	2.0
170.14949	1.3
185.04776	1.4
199.06403	2.9
203.05858	2.4
213.07935	9.2
217.07472	3.4
223.08432	1.8
225.07919	4.1
229.07445	1.9
231.09023	9.2
237.08084	2.0
239.09534	2.5
241.11179	2.8
243.08908	3.1
247.08374	1.4
251.09512	5.4
255.09033	6.5
257.10541	2.1
259.12204	5.1
269.07907	1.9
269.10574	27.1
273.09976	4.8
277.11273	1.7
279.09000	2.2
280.09848	2.4
287.11639	12.7
292.12164	1.8
297.09991	5.3
315.11084	3.0
331.15805	8.4
332.15979	1.8
339.12234	1.8
349.16815	11.8
367.11465	6.8
367.17596	100.0
368.17859	6.7
385.18936	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	367.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.8
55.05487	0.9
57.03418	0.4
65.03921	0.4
65.26634	0.3
67.05505	1.8
69.03412	0.4
69.06358	2.9
69.07054	1.1
71.04953	0.3
73.90928	0.3
79.05486	2.4
81.06641	0.3
81.07060	3.3
83.04971	0.3
83.08589	0.7
91.05481	5.2
92.05760	0.3
93.07019	1.1
94.04147	0.9
95.04929	0.9
95.08570	1.2
97.06504	0.3
103.05471	5.4
103.52907	0.3
105.07033	4.6
107.04951	2.1
107.08568	1.0
109.06497	1.0
109.10154	0.7
111.08070	0.3
115.05444	1.8
116.06239	0.3
117.07024	2.2
119.04937	2.0
119.08562	1.5
121.06486	1.1
121.10111	0.9
122.03654	1.6
128.06218	3.6
129.07019	1.8
131.04930	4.6
131.08545	2.0
132.05676	0.4
133.06490	9.0
133.10086	0.9
135.04373	0.4
135.08029	0.7
135.11635	0.6
137.05972	20.7
138.06326	0.7
141.06984	2.5
142.07814	1.7
143.04951	0.5
143.08559	9.0
144.05649	0.7
144.09250	0.4
145.06479	3.1
145.10153	2.8
146.07210	1.0
147.04395	1.8
147.08006	1.2
147.11736	1.4
148.05121	0.5
149.05945	1.3
151.03908	0.6
151.07541	5.9
152.06157	0.3
153.06963	1.3
153.40712	0.3
154.07698	0.6
155.08571	3.1
156.09268	0.4
157.06461	1.0
157.10149	1.9
158.07266	1.6
159.08032	1.9
159.11687	0.6
160.05215	0.5
160.08885	2.1
161.05971	2.0
161.09557	0.4
161.13228	0.7
163.07547	3.1
163.57602	0.4
164.08267	1.0
165.06938	0.5
165.09070	1.4
167.08589	0.8
168.09343	3.5
169.06497	3.5
169.10100	1.2
170.07198	0.7
170.10895	0.3
171.08061	5.8
171.11639	0.6
172.08739	1.0
173.05939	0.9
173.09604	4.2
173.13170	0.3
174.06723	0.8
175.07544	11.9
175.11169	4.1
176.07909	0.5
177.09113	0.8
177.98964	0.3
178.07820	0.8
179.08501	0.4
181.06483	3.5
181.10121	0.8
182.07243	1.9
183.08052	2.6
183.11690	6.3
184.08815	0.5
184.12109	0.5
185.05936	1.4
185.09604	2.8
185.13171	0.5
186.06799	2.0
186.10373	1.9
187.07523	1.4
187.11182	1.3
187.14754	0.4
188.08322	1.6
189.09108	3.8
189.10901	0.4
191.10594	0.7
193.10124	4.2
195.08073	1.8
196.08829	5.8
197.09581	3.6
199.07515	7.0
199.11125	0.3
200.08273	2.7
200.11978	1.0
201.09096	9.8
201.12778	0.7
202.09599	0.9
203.10660	16.3
204.11287	1.5
205.12277	1.6
210.10428	0.9
211.11174	19.0
212.11844	3.8
213.09094	7.8
213.12454	0.7
214.09872	12.5
215.10632	4.3
215.14249	2.6
216.11157	0.3
217.12140	1.6
219.08093	0.4
223.53920	0.3
225.12874	0.6
227.10616	0.6
228.11443	6.6
229.12141	2.5
231.08029	0.6
233.09555	0.8
235.07489	0.4
236.08279	0.4
243.13794	100.0
244.14131	6.2
246.10396	0.5
248.08337	0.6
249.09050	0.7
251.07068	0.7
251.10544	0.5
260.11694	0.3
261.08853	0.4
262.10260	0.3
263.10641	1.0
264.07761	0.5
265.08505	1.1
267.10086	0.3
273.09036	0.7
274.10089	0.3
275.20068	0.6
277.08578	0.8
277.12180	0.7
279.10138	1.0
282.08890	0.3
283.09564	0.5
287.10394	0.3
289.12009	0.6
291.10312	1.6
292.10873	0.5
293.11710	0.6
293.21042	0.5
297.11230	0.7
298.11954	0.5
303.13788	1.1
305.11667	1.1
306.12476	1.1
307.16980	0.9
309.10846	0.3
311.12778	1.2
323.12775	1.0
325.14090	0.5
335.16434	1.2
337.14249	1.1
338.15085	1.3
351.25613	0.3
352.16742	0.4
367.19028	48.7
368.19397	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.4
55.01876	0.9
55.05516	1.7
57.03448	0.4
59.04998	0.5
65.03953	0.4
67.05508	1.9
69.03442	0.5
69.06748	0.3
69.07073	1.6
69.15189	1.3
69.15610	2.0
71.04990	0.7
73.90934	0.4
79.05489	2.1
81.07063	3.4
83.01324	0.5
83.08629	0.9
85.02103	0.3
86.83997	0.4
91.05479	6.7
93.07035	2.1
94.04158	0.9
95.04962	2.2
95.08629	1.2
96.35542	0.4
100.13125	0.4
103.05463	7.6
105.07020	5.7
106.07384	0.6
107.04945	2.1
107.08608	1.3
109.06513	1.1
109.10188	0.7
111.08107	0.4
113.05993	0.9
115.05475	1.7
117.07032	1.6
119.04922	2.4
119.08549	2.3
121.06518	1.6
121.10124	0.6
122.03651	1.6
123.08038	0.6
123.11642	0.3
128.06219	4.5
129.07027	1.9
131.04935	4.7
131.08536	2.2
132.05743	0.8
133.06490	9.9
133.10126	1.0
135.08105	0.4
135.11722	0.5
137.05968	19.4
138.06265	0.7
141.06998	2.3
142.07762	2.7
143.04962	0.4
143.06053	0.4
143.08562	9.3
144.05728	0.7
144.09003	0.5
145.06467	3.7
145.10159	2.1
146.07268	0.7
147.04405	1.5
147.08044	1.6
147.11649	0.6
149.05966	2.1
151.03917	0.8
151.07532	6.4
151.08716	0.4
153.06998	1.5
154.07771	0.4
155.08575	2.8
157.06500	0.9
157.10100	2.0
158.07272	1.4
159.08017	2.3
159.11703	0.9
160.05086	0.4
160.08804	1.8
161.06006	1.7
163.07562	3.7
163.11205	0.7
164.08324	0.8
165.07074	0.7
165.09071	1.5
166.07788	0.4
167.08588	1.0
168.05806	0.4
168.09357	3.7
169.06410	3.0
169.10110	1.1
170.07266	0.8
171.08049	5.7
171.11713	0.4
172.08788	1.0
173.06021	0.9
173.09596	4.6
174.06758	0.5
174.10051	0.4
175.07535	11.9
175.11159	3.5
176.08109	0.5
177.09068	0.5
177.12682	0.7
178.07744	0.5
179.07072	0.7
181.06453	3.0
181.10138	1.1
182.07275	2.2
183.08095	2.5
183.11687	7.5
184.08801	0.7
184.12175	0.4
185.05991	1.2
185.09541	3.0
185.13341	0.4
186.06767	1.8
186.10435	2.1
187.07549	1.8
187.11157	1.7
188.08321	1.7
189.09103	3.7
189.12851	0.4
191.10649	1.0
193.10136	4.4
193.12158	1.1
195.08060	1.7
196.08817	5.8
197.08102	0.6
197.09622	3.8
198.10233	0.4
198.47580	0.4
199.07526	7.3
199.09273	0.7
199.11276	0.7
200.08286	3.2
200.11900	1.0
201.09109	9.1
201.12730	0.6
202.09645	1.0
203.08730	0.9
203.10667	16.7
204.11217	1.2
205.06546	0.5
205.12172	2.8
211.11172	19.6
212.11891	3.0
213.09079	8.7
213.12447	0.6
214.09865	11.3
215.10663	4.1
215.14291	2.3
217.10324	0.5
217.12173	2.0
219.07977	1.0
223.13249	1.7
225.12778	0.9
227.10622	1.0
228.11465	6.3
229.12096	1.6
230.13013	0.4
231.08083	0.5
233.09578	0.7
235.07416	0.6
235.11078	0.4
237.09140	0.6
241.12187	0.5
243.13786	100.0
244.14159	7.3
246.10226	0.5
247.07626	0.5
247.11122	0.7
248.08420	0.9
249.09103	0.6
251.07144	0.4
251.10678	0.5
261.09171	0.6
263.07022	0.5
263.10593	0.6
265.08609	0.8
267.10263	0.7
273.09143	0.4
275.10416	0.4
275.14307	0.5
275.19913	0.6
277.08704	0.9
277.12216	1.0
279.10049	1.0
283.09763	0.7
285.18558	0.7
291.10086	2.1
292.10892	0.8
293.11505	0.8
295.13144	0.7
297.11084	0.9
303.13760	1.2
303.19366	0.6
305.11743	1.2
306.12509	0.7
307.13339	0.5
307.16931	1.1
309.11176	0.9
309.14862	0.6
311.12714	1.8
320.13751	0.6
323.12772	1.1
325.14279	0.5
326.37927	0.4
331.18851	0.7
331.22989	0.4
335.16327	0.9
337.14307	0.8
338.15106	2.1
349.19955	0.6
352.16492	0.6
367.18967	55.8
367.28799	1.1
368.19272	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	367.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.0
55.05506	1.4
61.62379	0.5
67.05501	2.2
67.69862	0.6
69.03423	0.7
69.07064	2.8
71.08604	0.8
71.31603	0.8
79.05495	3.0
81.07072	3.1
91.05479	8.4
93.07036	2.4
95.04990	1.3
95.08622	3.2
96.65134	0.6
99.08096	0.6
103.04777	0.8
103.05462	11.1
105.07041	5.8
107.04953	1.8
107.08579	2.2
109.06533	1.0
109.10120	1.1
115.05443	2.9
117.07021	3.1
119.04931	3.5
119.08563	3.1
121.06528	1.0
121.10123	1.0
122.03645	2.8
128.06226	4.6
129.06992	3.2
131.04924	8.0
131.08575	3.0
133.06505	4.4
133.10146	1.0
135.07980	0.8
137.05981	35.3
138.06285	1.5
141.06967	3.6
142.07729	3.3
143.08566	10.9
144.05717	1.4
145.06522	4.4
145.10112	2.1
147.04449	1.6
147.08054	0.9
147.11673	0.9
148.05089	0.9
149.05980	2.7
151.03946	1.3
151.07538	10.6
153.06990	2.6
155.08537	5.9
157.06483	2.9
157.10123	2.7
158.07346	0.9
159.08054	3.9
159.11746	0.9
160.08815	1.1
161.05945	1.5
163.07530	6.8
164.07913	0.6
165.09097	4.6
167.08553	1.8
168.09338	11.2
169.06477	5.1
169.10104	1.5
170.07269	1.1
171.08051	7.1
172.08739	1.2
173.09636	1.8
173.13148	0.6
174.06708	1.2
175.07556	15.0
175.11174	2.2
176.07915	1.2
177.09149	1.1
178.07773	1.3
179.08575	0.8
181.06493	9.3
181.10097	2.6
182.07245	1.6
183.08093	2.2
183.11702	29.3
184.11957	1.7
185.09598	1.8
186.06717	2.0
186.10385	0.8
187.07561	2.7
188.08321	4.3
189.09097	5.7
191.10687	2.4
193.10139	9.3
193.11981	0.9
195.08069	3.9
196.08833	20.4
196.10593	1.3
197.09535	2.9
199.07509	4.0
200.08231	1.7
201.09087	6.3
202.09805	2.0
202.31454	0.6
203.08748	1.1
203.10667	15.0
204.11174	2.6
205.12267	1.8
209.09575	0.7
211.11185	81.6
212.11560	6.3
213.09108	12.0
214.09842	5.5
215.10629	2.4
217.10251	1.2
217.12285	2.2
219.08038	2.2
220.08818	0.7
223.07611	0.8
227.10391	0.9
228.11472	11.5
229.12198	2.3
233.09624	1.5
235.07448	1.3
236.08147	1.0
237.09227	0.8
243.13805	86.1
244.14145	5.2
245.09641	2.2
246.10359	1.3
247.07513	1.9
249.09212	1.0
251.07008	2.1
251.10611	1.7
260.12039	0.6
261.09027	1.1
263.10748	1.4
264.07709	1.4
265.08566	1.5
265.12338	0.6
267.10211	1.8
268.10931	0.6
275.10352	0.6
275.14246	1.4
277.08594	1.3
277.12238	1.6
279.10092	3.1
279.13019	0.7
280.10739	0.7
281.11719	1.1
283.09656	2.8
288.11560	0.9
290.26352	0.6
291.10342	3.0
292.10904	0.9
293.11700	1.4
293.21085	2.1
295.12994	0.7
296.10486	1.1
297.11227	3.2
297.14069	0.6
298.12067	2.1
303.13760	4.6
305.11771	2.9
306.12405	1.6
307.16922	2.5
311.12729	7.7
312.13290	0.8
320.13977	1.0
321.14221	0.6
323.12723	2.1
324.13556	1.1
325.14243	1.2
335.16293	3.9
336.17242	1.1
337.14337	0.9
338.15103	2.2
352.16656	2.6
367.19012	100.0
368.19363	9.5
372.16574	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.7
53.03916	0.8
53.44329	0.7
54.68856	0.6
55.01849	2.0
55.05484	2.5
56.56865	0.6
57.03435	0.7
65.03921	0.8
67.05501	2.9
69.03424	1.2
69.07063	3.2
69.07359	0.6
69.11812	4.1
69.12220	1.4
71.04993	1.0
71.08611	2.0
79.05495	4.5
81.07061	4.3
83.08598	1.0
91.05032	0.7
91.05477	7.3
93.07012	2.8
94.04161	1.1
95.04943	1.8
95.08625	3.0
95.09158	0.6
97.10174	0.9
98.22670	1.0
99.08086	0.9
103.05468	10.0
105.07037	5.6
107.04937	3.1
107.08542	2.4
109.06482	2.2
109.10127	1.9
111.08054	1.4
115.05420	2.5
117.06976	3.4
119.04900	2.5
119.08555	2.3
121.06493	0.9
121.10126	1.0
122.03658	3.1
128.06194	4.6
129.06952	2.1
131.04922	5.5
131.08543	2.2
132.26009	0.7
133.06496	4.6
133.10124	1.5
135.08095	0.9
135.11618	1.7
137.05969	37.1
141.06982	2.8
142.07764	2.7
143.08559	11.8
145.06499	3.7
145.10098	2.2
147.04388	1.0
147.08014	1.0
147.11679	1.0
148.05183	1.4
149.05965	1.8
149.13214	0.8
151.03853	0.9
151.07524	11.0
153.06984	4.0
155.08565	6.8
157.06445	1.6
157.10103	1.8
158.07224	1.3
159.08049	3.5
159.11722	0.8
160.05174	0.8
161.09534	0.6
161.13197	0.8
163.07536	6.0
163.11154	1.1
164.08243	0.8
165.07065	1.2
165.09135	3.9
166.07838	0.7
167.08534	2.8
168.09325	10.5
169.06480	5.1
169.10002	2.1
171.08049	6.1
171.11702	1.0
172.08771	1.6
173.05984	1.2
173.09631	3.3
174.06752	1.5
175.07533	13.4
175.11151	2.0
176.08098	0.7
177.09131	2.2
178.07751	1.1
179.10663	0.7
181.06470	9.9
181.10039	3.6
182.07141	1.9
183.08163	3.3
183.11679	27.6
184.12010	2.0
185.05917	1.2
185.09605	2.7
186.06757	1.7
186.10304	1.0
187.07559	3.5
188.08275	2.7
189.09076	4.7
191.08585	1.2
191.10649	2.5
193.10120	9.9
193.12021	0.8
195.08107	3.8
196.08830	22.4
197.09499	4.8
199.07524	5.4
199.11092	0.7
200.08331	2.2
200.11833	0.8
201.09099	8.6
201.12790	0.7
202.09845	1.5
203.08727	1.0
203.10677	15.6
204.11307	1.3
205.12209	1.4
209.09424	0.8
211.11169	88.9
212.11594	7.4
213.09087	12.4
214.09872	6.2
215.10632	3.9
215.14346	1.0
217.12210	2.6
218.07256	0.9
219.08038	2.9
223.07582	1.0
225.09254	0.8
227.10649	0.9
228.11421	11.3
229.12163	1.3
233.09624	1.4
235.07545	1.5
236.08202	1.4
237.09229	1.0
243.13786	100.0
244.14104	6.7
245.09511	0.8
246.10080	0.9
247.07533	2.5
248.08167	1.1
249.09164	1.2
251.07120	3.0
251.10641	2.0
254.09476	0.8
259.11240	0.8
260.08218	0.7
261.09171	1.2
263.06842	0.9
263.10709	1.2
265.08640	1.3
266.09259	0.9
267.10080	1.0
268.07312	0.8
273.09030	1.1
275.14172	1.1
275.19965	0.9
277.08713	1.1
277.12201	1.0
279.09998	3.0
281.07971	0.9
283.09601	3.9
291.10086	1.9
292.11008	0.9
293.11633	1.2
293.21036	5.8
297.11243	2.9
298.11990	2.6
303.13797	4.8
305.11761	3.1
306.12445	2.3
307.16818	1.6
309.11047	0.9
310.11746	0.9
311.12802	6.8
320.13846	1.0
321.14960	1.1
323.12671	2.2
324.13745	0.9
325.14401	1.6
335.16306	3.7
336.16913	0.9
337.14157	1.7
338.14963	1.4
352.16602	2.0
367.19019	83.3
367.24347	5.3
368.19339	9.2
368.31256	2.3
393.71411	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06385	0.3
55.01857	0.7
55.05489	0.8
59.04975	0.3
66.55337	0.3
67.05467	1.1
69.03413	0.3
69.07023	1.1
69.08916	2.8
71.04980	0.3
75.32569	0.3
79.05508	1.8
81.07051	2.5
83.04081	0.3
91.05473	4.8
93.07011	0.9
94.04168	0.9
95.04942	0.9
95.08580	1.1
97.10144	0.3
98.22572	0.6
103.05472	5.8
104.05724	0.3
105.07024	3.6
107.04949	1.3
107.08570	0.7
109.06519	0.5
109.10135	0.3
115.05416	1.7
117.07008	1.7
119.04929	2.2
119.08558	1.3
121.06488	0.4
121.10120	0.3
122.03648	1.7
126.30623	0.3
128.06215	3.4
129.07008	1.5
131.04915	4.4
131.08549	1.0
132.05716	0.3
133.06483	8.7
133.10117	0.8
135.08046	0.3
136.05219	0.3
137.05965	17.1
138.06285	0.7
141.07018	2.1
142.07770	2.1
143.04878	0.4
143.05975	0.3
143.08559	7.0
144.05690	0.6
144.09067	0.4
145.06465	2.7
145.10112	1.9
146.03571	0.3
146.07237	1.0
147.04372	1.0
147.08046	1.6
147.09030	0.3
147.11647	0.7
148.05125	0.5
149.05933	0.9
151.03847	0.7
151.07526	6.1
153.06921	1.1
154.07753	0.6
155.08524	2.5
157.06474	1.2
157.10107	1.7
158.07248	1.5
159.08034	2.5
159.11662	0.5
160.05153	0.6
160.08852	1.5
161.05995	1.5
161.09457	0.4
163.07526	2.6
164.08249	0.6
165.06960	0.4
165.09082	1.2
167.08595	0.9
168.09325	2.6
169.06468	3.1
169.10077	1.5
170.07216	0.9
171.08046	5.5
172.08777	1.2
173.06029	0.5
173.09610	3.9
173.95457	0.3
174.06735	0.3
175.07542	10.0
175.11130	3.3
176.07895	0.4
177.09137	0.5
178.07698	0.4
179.08528	0.3
181.06493	3.0
181.10110	0.9
182.07288	2.3
183.08026	2.2
183.11679	6.5
184.08777	0.5
185.05988	1.4
185.09523	2.5
186.06758	2.1
186.10368	1.7
187.07489	1.2
187.11143	0.9
187.14859	0.4
188.08302	1.0
189.09068	2.8
191.08554	0.4
191.10612	0.6
193.10117	3.5
195.08080	1.6
196.08813	5.6
197.09598	3.3
199.05676	0.4
199.07516	6.2
199.11162	0.6
200.08261	2.9
200.11948	1.1
201.09099	9.1
201.12708	0.8
202.09714	1.1
203.10655	15.4
204.11179	1.5
205.06366	0.4
205.10191	0.3
205.12222	0.8
210.10414	1.0
211.11166	17.3
212.11847	3.5
213.09087	6.9
213.12271	0.4
214.09866	10.9
215.10625	4.4
215.14221	2.2
216.11063	0.4
217.10141	0.4
217.12216	1.2
219.08046	0.6
225.12746	0.6
227.10507	0.5
228.11450	7.3
229.12108	2.0
231.07996	0.5
233.09564	0.8
235.11165	0.4
237.09109	0.6
241.12245	0.6
243.13788	100.0
244.14140	6.3
245.09641	0.7
249.08978	0.5
251.07060	0.7
251.10602	0.4
252.07993	0.4
253.08760	0.3
259.11349	0.3
261.09058	0.7
263.10587	0.7
265.08572	1.2
267.09985	0.4
275.10739	0.7
275.14084	0.3
277.08597	0.6
277.12161	0.7
278.09549	0.4
279.10089	0.9
281.08401	0.4
283.09647	0.7
291.10242	1.5
292.10953	0.4
295.09662	0.4
296.10559	0.5
297.11270	1.3
298.11783	0.4
303.13773	0.8
305.11761	1.0
306.12512	0.8
307.13409	0.6
307.16937	1.2
308.10324	0.4
309.11176	0.6
309.14587	0.4
311.12662	1.1
320.14102	0.6
323.12863	0.8
324.13831	0.4
325.14188	0.7
335.16461	1.4
337.14325	0.8
338.15030	0.9
352.16684	0.5
356.89172	0.3
367.19019	43.4
368.19299	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2114
Annotation	11-dehydro-TXB3
Peak:m/z	Relative Intensity
53.03941	1.8
55.01869	3.0
55.05512	10.6
56.96574	1.9
57.07055	5.5
59.04986	2.4
64.94979	1.3
67.05500	23.0
69.03406	5.5
69.07072	16.6
70.62865	1.9
70.63197	3.0
71.04993	14.8
79.05495	18.2
81.07060	20.6
83.01329	15.5
83.04961	4.3
83.08600	5.1
85.06523	4.8
91.05478	15.1
93.07042	23.3
95.04961	22.0
95.08605	18.4
97.06525	9.1
97.10175	2.6
103.05443	4.7
105.07037	15.4
107.04961	3.4
107.07932	1.8
107.08595	23.6
109.06542	9.2
109.10146	16.3
111.04432	3.1
111.08049	3.2
113.06007	52.5
115.05454	2.9
115.56409	1.4
117.07018	9.9
119.08581	20.5
121.06498	12.6
121.10118	12.9
123.04417	3.1
123.08064	8.1
123.11709	3.0
125.05998	5.6
125.09591	2.4
127.07542	3.6
128.06259	2.2
129.06970	5.9
131.04936	3.5
131.08568	15.1
133.06461	4.4
133.10129	9.8
135.08083	7.9
135.11652	6.7
137.05992	11.7
137.09593	16.7
141.07056	1.8
142.07768	1.5
143.08531	5.4
144.09343	3.9
145.06441	9.1
145.10147	7.4
147.08020	6.2
147.11620	4.7
149.05978	30.0
149.09605	4.3
149.13237	4.5
151.07559	10.0
151.11200	2.8
153.06949	1.6
153.09123	9.9
155.08531	2.0
157.06465	2.6
157.10097	3.7
159.08072	6.9
159.11687	18.3
161.05940	3.0
161.09543	3.3
161.13235	4.0
163.07553	13.7
163.14856	2.5
164.08075	2.4
165.09100	12.4
167.07040	2.5
167.08502	2.1
167.10652	6.1
169.08514	1.6
169.10191	1.5
171.08035	2.3
171.11653	3.1
173.09669	2.9
173.13277	9.0
175.07513	5.9
175.11189	2.9
175.14812	4.1
177.09079	4.5
177.12744	25.0
179.07022	24.3
179.10651	3.2
181.08556	2.8
183.08018	2.0
183.11655	2.1
187.07678	1.8
187.11153	7.0
187.14752	2.2
189.12752	5.7
191.10646	2.4
191.14293	16.2
193.08653	1.8
195.08105	3.4
196.16618	1.4
197.08083	23.8
197.11662	2.1
197.13295	2.2
199.07550	3.5
199.11185	5.3
199.14790	3.1
201.09181	3.2
201.12703	5.8
203.10660	3.3
203.17975	1.8
205.12234	57.7
206.12595	1.9
207.13770	1.9
211.14639	1.6
213.09071	3.2
213.12581	1.5
215.10687	3.1
215.14252	5.2
217.12247	9.5
223.13252	18.0
225.12880	1.9
227.10655	3.1
229.07542	2.5
229.12257	5.0
233.15353	5.6
241.19547	1.5
243.10138	1.7
243.13815	7.9
245.11731	2.0
245.15656	1.6
247.13242	4.4
249.09067	1.7
267.17587	1.8
275.12833	4.7
275.20059	3.0
276.83121	1.8
285.18494	35.2
286.18710	2.8
287.20105	9.4
291.09973	1.6
303.19510	32.9
304.19907	2.3
305.11826	1.5
313.17917	7.0
318.58020	1.9
319.13104	2.0
321.20477	3.7
323.12738	1.9
331.19037	18.8
337.14227	1.9
339.16019	2.0
349.14404	4.4
349.20020	50.8
349.23514	2.1
350.20386	4.6
362.97989	1.8
367.16055	5.4
367.20959	100.0
367.28354	3.7
368.17047	1.4
368.21268	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	367.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.3
53.75179	0.6
55.01863	3.0
55.05507	6.6
57.03429	3.4
57.07072	1.6
59.04998	1.5
65.03931	0.8
67.05505	14.4
69.03421	2.0
69.07066	9.3
71.04987	5.2
79.05484	13.0
81.03409	1.7
81.07049	15.9
83.01345	1.8
83.04975	2.6
83.08631	4.0
85.02891	0.7
85.06534	2.3
91.05482	12.6
92.05833	0.8
93.07037	16.5
95.04967	5.5
95.08605	13.2
97.02879	0.7
97.06540	6.3
97.10163	3.5
98.23366	1.5
99.04432	0.8
99.08085	1.9
103.05460	0.8
105.07018	13.6
106.07371	0.7
107.04976	2.0
107.08590	15.0
107.86955	0.6
109.06521	2.8
109.10158	8.9
109.20115	0.6
111.04412	1.1
111.08092	2.2
111.11754	0.9
113.05994	6.8
115.05416	0.7
117.07029	5.4
119.04977	1.2
119.08575	11.3
120.08904	0.8
121.06509	3.5
121.10133	9.8
123.04459	1.5
123.08043	4.8
123.11729	2.4
125.05996	2.2
125.09631	2.9
127.07536	1.5
128.06245	1.3
129.07019	3.1
131.04912	0.9
131.08569	8.8
133.06456	1.6
133.10120	9.5
135.08086	2.3
135.11684	5.6
137.05949	5.5
137.09654	2.3
139.07561	0.8
139.11195	2.4
141.07016	1.0
143.08556	4.5
145.06517	1.6
145.10121	8.1
147.08044	1.6
147.11693	6.6
149.05988	2.1
149.09634	2.6
149.13249	3.5
151.03868	1.1
151.07558	3.1
151.11186	1.6
153.09105	1.9
155.08537	2.0
157.10158	2.9
159.08060	1.8
159.11668	6.0
161.06012	1.4
161.09612	1.6
161.13258	5.7
163.07544	3.5
163.11189	1.9
163.14803	2.1
165.09181	0.8
165.12746	0.8
169.10138	1.2
171.08092	1.1
171.11694	5.1
172.08878	1.0
173.09647	1.0
173.13280	5.9
175.07591	2.5
175.11259	2.1
175.14833	2.5
177.09029	1.3
177.12749	2.3
177.16376	1.3
179.07083	2.9
179.10742	1.1
181.08527	1.1
183.11743	2.1
185.13304	2.4
187.07562	0.8
187.11249	2.0
187.14850	2.0
189.11263	1.0
189.12776	1.3
189.16415	1.4
191.10725	1.0
191.14342	2.0
193.12195	3.3
197.08109	1.8
197.11642	0.9
197.13289	1.1
199.07611	0.8
199.11267	0.9
199.14850	2.6
201.09129	1.0
201.16446	2.0
203.10696	1.7
203.12672	1.4
203.14467	1.4
205.12236	7.1
211.11194	1.8
213.09000	1.1
213.16443	2.2
215.10620	1.1
215.14369	0.9
215.17947	1.2
217.12292	1.5
217.15878	1.9
219.17401	0.7
223.13235	6.0
225.12352	0.7
225.16377	1.0
227.17995	1.4
229.19559	1.1
235.13206	1.1
235.17017	3.0
239.17865	1.3
243.13776	7.1
261.11346	0.9
275.20047	5.3
280.10980	1.2
285.18402	4.4
287.20023	1.2
293.20987	1.3
296.10492	0.8
303.19583	3.1
307.09451	0.9
309.25870	0.7
311.12769	1.4
313.18216	1.1
331.18979	3.3
331.22610	1.0
349.14346	0.7
349.15317	0.8
349.20108	9.3
349.23892	2.9
349.28714	1.1
350.20242	1.1
363.73959	0.7
367.20657	7.6
367.24646	100.0
367.29718	6.8
368.20642	1.3
368.24924	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	367.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96987	0.9
53.03933	3.3
54.28288	0.9
55.01857	4.6
55.05506	12.8
55.11634	0.9
56.96569	1.2
57.03435	10.7
57.07078	1.2
57.91758	0.9
59.05001	9.6
65.03929	2.5
67.05159	1.8
67.05502	33.4
69.07066	17.1
69.10890	8.0
71.04993	2.4
71.08627	1.1
79.05039	1.5
79.05489	24.4
81.03420	1.1
81.07054	55.9
82.07376	1.4
83.04979	4.3
83.08614	8.1
85.02836	1.0
85.06525	2.2
86.38491	0.9
91.05476	23.9
92.05830	1.0
93.07040	24.9
94.04186	2.0
95.04964	7.1
95.08601	22.3
97.06520	8.8
97.10155	3.4
98.23386	1.8
99.08099	2.0
105.05510	5.1
105.07025	19.5
106.19997	1.0
107.04946	4.1
107.08588	15.0
109.06511	8.8
109.10159	11.4
111.08063	2.2
115.05402	0.9
116.27390	0.8
117.06998	6.6
117.09113	1.8
119.08577	19.8
121.06541	2.6
121.10114	8.7
122.03634	3.1
123.08041	4.8
123.11682	5.6
125.09609	2.8
129.07002	3.4
131.04836	1.4
131.08574	9.3
133.10126	14.3
135.08035	4.6
135.11647	5.3
137.05971	38.8
137.09586	2.9
138.06314	1.3
139.11078	1.1
141.06920	1.5
142.15793	1.2
143.08571	2.1
143.21342	0.9
144.05693	1.2
145.06535	1.2
145.10088	8.2
147.11681	10.2
149.06001	3.3
149.09630	4.7
149.13232	2.9
151.07530	2.2
151.11122	1.9
153.06975	2.0
155.08481	2.0
157.10117	2.5
159.08044	1.3
159.11671	6.9
161.13269	2.8
163.11186	2.9
165.09154	1.6
165.12805	3.0
171.10233	1.4
171.11655	2.0
173.13249	4.5
175.11182	1.5
177.05530	1.6
177.12708	2.4
179.14320	1.9
181.06485	3.2
183.08018	1.4
183.11693	1.7
187.07466	2.0
187.14726	1.3
195.13808	1.7
197.13246	1.4
198.06706	1.9
199.07532	2.2
199.14877	1.1
202.07726	2.9
209.15221	1.1
213.09108	9.3
213.16489	1.7
213.54019	1.1
215.17836	1.2
217.10123	3.3
225.09155	1.4
228.09344	1.4
229.10121	1.7
229.19553	2.1
231.08032	2.1
233.09631	2.5
239.18005	2.2
245.09651	4.9
246.10329	1.9
247.07542	1.8
247.20499	2.1
257.09427	4.9
257.19031	4.7
261.08890	1.3
262.09830	1.5
273.08948	2.0
274.09863	1.8
275.10565	1.8
275.20041	24.2
276.20346	2.1
277.08591	1.8
277.12210	3.0
281.18698	1.1
285.08951	3.7
289.08649	1.0
289.12265	3.4
290.09326	1.2
291.06445	1.2
291.09912	1.4
293.11603	1.7
293.21075	2.7
302.09335	3.1
303.09927	1.7
306.08884	2.7
307.13034	1.5
309.11267	1.5
317.11649	7.2
318.12302	1.3
319.09763	1.6
321.11203	4.1
322.11487	1.2
335.09015	1.7
335.12686	4.9
336.13467	1.8
337.14203	1.5
349.14252	3.9
349.23560	4.9
352.13159	1.3
367.11340	2.0
367.15509	34.3
367.20856	100.0
367.24884	12.5
368.15723	4.9
368.21164	9.1
368.24890	1.3
387.76797	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	7.1
55.05510	45.0
55.37402	3.9
57.03453	4.1
57.07071	18.4
59.05000	6.5
67.05507	53.6
69.03438	11.3
69.07076	44.2
71.04991	9.1
71.08636	7.2
71.31551	5.3
79.05494	47.0
81.07059	72.5
82.25365	3.7
83.04967	10.9
83.08624	18.8
85.06544	8.0
88.07644	10.9
91.05490	56.7
93.07050	82.3
95.04970	28.3
95.08605	75.1
97.06528	14.0
97.10157	8.5
103.05481	5.5
105.07034	83.1
106.08002	4.7
106.08680	17.5
107.08598	72.0
109.06529	13.7
109.10155	48.9
111.08101	11.2
114.78926	3.8
117.07048	24.4
119.08582	100.0
120.08939	4.7
121.06493	8.8
121.10143	49.8
123.08058	8.9
123.11713	13.1
125.09605	10.0
128.06186	14.2
129.07068	20.2
130.07787	7.2
131.04970	6.9
131.08549	45.8
133.10124	68.6
135.08060	26.8
135.11699	29.0
137.09608	6.8
141.07004	10.1
142.07799	15.0
143.08598	45.5
144.09415	6.1
145.10124	57.8
146.07242	5.4
147.08041	8.8
147.11693	19.4
149.09642	17.6
149.13309	8.1
151.07545	4.1
155.08531	11.6
156.09354	14.8
157.10104	45.4
158.10806	9.5
159.08023	5.3
159.11717	37.0
160.08835	4.4
161.09630	35.8
161.13206	6.4
163.07762	4.1
163.11253	4.5
163.14838	4.7
167.08551	7.2
169.10146	20.6
170.10979	7.0
171.08041	4.9
171.11668	32.3
173.09636	7.4
173.13243	31.0
175.11137	9.2
175.14832	16.1
177.12544	4.7
179.08553	8.2
181.10069	6.5
182.10939	6.4
183.11705	22.6
185.09569	4.5
185.13277	12.2
187.14864	15.3
189.16451	6.4
191.14348	5.3
192.55672	4.5
194.10909	8.6
195.11748	8.6
196.12115	4.9
197.13245	20.9
199.14819	11.7
201.12662	5.7
201.16440	5.8
207.11630	5.9
209.13264	24.9
211.14787	5.7
213.16359	7.3
215.14217	5.4
225.16498	5.2
227.14227	15.2
239.17987	7.1
243.13876	7.9
308.03406	4.9
367.19070	28.6
367.26111	24.7
367.30240	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20866	2.4
55.01859	7.7
55.05507	23.2
57.07062	3.1
67.05500	34.2
69.07065	21.3
71.04998	4.2
71.33488	2.7
79.05492	30.3
81.03411	3.1
81.07055	52.8
81.67225	1.9
83.04971	4.3
83.08627	9.8
85.06507	2.4
91.04928	4.6
91.05474	67.3
91.06049	3.3
93.06440	2.8
93.07038	56.1
94.07362	3.7
95.04947	4.7
95.08605	52.6
97.06516	5.5
97.10168	2.6
99.08089	3.5
105.07024	85.5
107.04961	2.9
107.08589	45.7
109.06527	5.1
109.10144	31.8
111.08079	4.1
117.06993	7.9
119.08572	52.9
121.10126	38.4
123.08064	9.0
123.11681	13.8
125.08801	2.1
125.09637	12.2
128.06204	2.8
129.06979	3.1
131.08548	18.5
133.10126	37.2
135.08031	10.5
135.11688	26.2
137.09618	5.1
139.11140	3.2
141.09042	3.4
142.30104	1.9
143.08540	5.7
145.10133	31.7
146.10501	4.1
147.11674	91.1
148.12000	5.9
149.09605	4.6
149.13249	21.3
151.11166	3.6
151.14781	3.2
157.10120	7.6
159.11671	22.7
161.09605	3.1
161.13251	51.9
163.11211	7.2
163.14764	4.5
165.12852	3.3
171.11658	7.4
173.09653	2.3
173.13251	15.7
175.11195	4.3
175.14835	13.3
176.42845	2.2
177.12759	7.0
177.16367	3.3
183.11716	6.0
185.13277	8.9
187.14786	18.0
189.12720	4.2
189.16380	9.7
191.14212	2.4
195.11586	3.8
199.14813	4.2
201.16380	9.8
203.14314	3.8
203.17888	3.4
205.15886	3.9
207.17326	2.8
211.14919	4.0
213.16331	5.8
215.18005	8.1
219.17535	3.0
225.16339	2.9
227.17931	4.3
229.19574	9.2
231.17499	5.1
241.19417	4.3
245.19043	7.2
251.17719	2.3
253.19531	2.8
255.20950	2.4
257.19110	2.5
259.20609	3.1
271.20541	6.2
273.22101	2.8
277.80978	2.5
307.24030	2.2
349.28677	7.4
367.20572	3.0
367.25195	9.6
367.29935	100.0
368.30453	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	367.3571
Annotation	10,13-Dimethyl-11-docosyne-10,13-diol
Peak:m/z	Relative Intensity
53.03942	1.1
55.01875	1.8
55.05513	32.9
56.05843	0.9
57.03436	0.8
57.07079	17.6
65.03917	0.5
67.05508	18.5
68.05822	0.4
69.03384	0.4
69.07069	35.5
69.20219	0.9
69.20612	3.6
70.07384	0.5
71.01762	0.6
71.04999	4.0
71.08230	0.6
71.08631	9.6
79.05496	6.0
81.07057	24.1
83.04983	2.6
83.08620	22.0
84.08965	0.6
85.06547	7.4
85.10182	3.9
91.05480	10.7
93.07053	6.5
95.08610	22.7
96.08970	0.6
97.06538	3.2
97.10168	14.8
99.08076	0.7
101.05987	0.7
105.07014	1.1
106.06542	0.7
107.08603	4.4
108.08098	1.7
108.99446	0.5
109.10156	11.0
111.08081	3.6
111.11727	4.2
115.07597	0.5
119.08559	0.7
121.10152	6.1
123.11705	4.6
125.09658	1.0
125.13276	0.7
129.07005	0.7
131.49890	0.5
135.11688	4.6
137.13255	1.7
139.11217	0.7
143.10674	0.5
147.11768	0.6
149.13261	2.6
151.14828	0.8
161.61351	0.5
163.14792	1.3
177.16403	0.9
219.21051	0.4
276.35965	0.5
293.28381	0.8
307.59454	0.5
331.33554	2.2
349.30591	1.1
349.34689	15.1
350.35068	1.4
367.35709	100.0
368.29407	0.9
368.35999	11.2
368.42630	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.3
57.03422	0.5
59.04990	0.2
61.02913	0.7
67.31300	0.3
69.03432	1.8
69.90723	0.7
70.90131	0.2
70.90550	0.2
71.04976	0.5
73.97948	0.2
74.38751	0.2
74.87945	0.3
81.03409	1.0
85.02901	6.1
87.04478	0.3
91.03967	0.3
97.02893	2.2
109.02851	0.5
127.03938	1.6
132.04437	7.9
133.04767	0.4
141.92706	0.3
145.04901	1.4
160.03990	0.8
160.67644	0.3
163.46432	0.3
178.04984	65.0
179.05336	3.2
182.66983	0.3
185.24609	0.3
189.09694	0.3
189.69765	0.3
194.81354	0.3
204.94653	0.3
206.04474	100.0
207.04803	4.4
288.10983	0.3
369.11511	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2219
Annotation	Propiverine
Peak:m/z	Relative Intensity
53.03909	0.5
54.46027	0.5
55.01854	0.8
55.05519	3.9
57.07044	1.6
58.76810	0.5
59.47974	0.5
67.05502	3.6
69.03439	0.8
69.06712	0.8
69.07065	13.3
69.59947	0.5
71.33324	0.5
78.33868	0.5
79.05466	2.2
81.07046	3.4
83.08607	1.7
91.05460	1.5
93.07022	2.2
94.02888	0.5
95.04967	1.0
95.08595	3.5
97.10139	0.7
98.51003	0.5
98.55266	0.5
105.07005	1.6
106.06527	0.8
107.04942	6.7
107.08562	1.5
109.06501	0.5
109.10137	1.6
110.02357	0.7
111.11710	0.8
116.03432	0.7
119.04921	0.9
119.08529	0.8
121.06455	0.5
121.10130	1.8
123.08090	2.5
123.11663	0.6
125.09653	0.7
131.04916	1.9
133.10056	1.2
134.05991	1.2
135.11661	1.2
137.09679	0.7
145.02867	0.6
145.10091	0.8
146.05995	1.6
147.11734	1.1
148.07571	3.1
149.13248	0.6
160.07558	1.4
161.13234	0.8
162.05516	2.2
170.05952	1.0
188.07056	2.0
198.05472	0.7
204.06580	2.2
212.07004	1.0
216.06552	79.9
217.06927	3.9
228.06282	0.5
230.08107	30.8
231.08464	1.3
242.08112	2.4
244.09663	7.5
256.09674	2.3
258.11273	16.3
259.11493	0.8
270.11249	0.8
272.12839	1.0
277.21582	1.8
284.12790	6.4
298.14380	1.2
313.23624	0.5
351.21445	2.0
368.22186	100.0
368.31757	3.2
369.22519	11.6
369.26651	0.9
375.75885	0.5
383.58044	0.5
390.78098	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33308	0.4
60.42150	0.4
69.03306	2.0
69.03728	2.2
98.89526	0.5
105.67567	0.4
109.06534	0.4
112.17225	0.4
114.81823	0.4
124.17972	0.5
137.05888	0.6
162.05479	1.5
167.05643	0.5
185.04259	3.2
202.92769	0.5
207.06297	3.3
208.05989	0.5
275.59424	0.4
299.06213	0.6
352.10336	0.9
369.11539	100.0
370.11856	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	369.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
64.87971	1.1
70.59246	3.0
89.98900	1.1
91.67946	1.1
93.79153	1.2
99.64605	1.2
132.95485	1.2
192.68091	1.3
207.06439	1.8
213.09962	1.2
237.67819	1.2
313.03256	1.3
369.11533	100.0
370.11835	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	369.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
59.86494	0.6
63.50043	0.6
69.03461	0.6
69.64801	2.9
71.26537	0.6
97.13441	0.6
105.53781	0.6
122.65373	0.5
129.45447	0.5
167.05515	0.9
185.04199	4.8
206.05466	4.1
207.06285	11.1
218.43385	0.6
222.01559	0.6
256.02835	0.5
352.11371	1.1
369.11542	100.0
370.11902	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	369.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.8
53.03947	3.1
55.01866	0.5
55.05498	0.7
57.03438	2.0
61.02935	0.5
65.03947	2.2
67.05511	0.7
69.03427	8.8
69.07032	0.4
69.13333	0.6
69.13734	2.9
71.04990	1.7
73.02903	1.4
76.03172	0.4
77.03935	0.7
79.05489	0.7
81.03412	27.4
81.07059	1.0
82.03756	0.9
83.04973	0.5
83.21859	0.4
85.02898	8.1
89.03931	0.8
91.05476	28.8
92.05805	0.7
93.07047	1.0
95.04970	0.8
95.08629	0.8
96.86238	0.5
97.02879	1.5
99.04456	4.6
103.05437	1.0
105.03398	0.8
105.07028	3.2
107.04988	0.5
107.08572	0.7
108.05718	0.5
109.02870	10.5
109.10141	0.7
118.04183	0.5
119.04937	41.7
119.08553	1.4
120.05275	2.1
121.02866	0.6
121.06489	0.6
123.04436	0.5
127.03929	3.8
129.03372	0.6
131.04967	0.8
132.02069	1.7
133.02794	0.7
133.06491	0.5
133.10124	2.0
135.04431	1.1
136.05183	0.5
137.06001	1.0
145.02779	0.7
147.04402	35.5
148.04788	1.5
149.02339	0.9
151.03973	0.5
151.07492	0.7
157.03908	4.0
161.09645	1.8
161.13235	1.5
162.03169	0.5
163.11244	0.7
164.04648	1.6
167.07083	0.5
168.44936	0.4
174.24316	0.5
175.03900	55.2
176.04231	2.7
177.05553	0.5
179.07042	2.7
179.10680	0.6
189.09160	0.5
189.12761	1.2
192.04172	3.9
207.06512	100.0
207.13791	5.6
208.06839	4.6
225.07487	1.9
277.08569	0.8
309.09390	1.0
337.10461	0.5
342.28415	0.4
351.10733	28.3
352.11044	2.5
359.71429	0.4
369.11954	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	369.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70457	0.3
54.67517	0.3
55.01868	0.4
55.05512	0.3
57.03178	0.4
57.03437	6.8
59.04992	0.3
60.43824	0.2
61.02920	1.2
65.03940	1.4
67.01870	0.3
67.05496	0.8
68.99796	0.3
69.02384	2.2
69.02805	0.9
69.03432	2.9
71.01353	6.3
71.04984	0.8
73.02916	8.4
75.04487	1.4
79.05486	0.5
81.03413	1.4
81.07044	0.4
83.01337	1.1
83.04980	0.5
85.02905	16.4
86.03217	0.4
91.05479	100.0
92.05806	3.2
93.07038	0.3
95.01334	5.2
95.04945	0.5
97.02263	0.3
97.02890	5.4
98.03238	0.3
98.22581	0.5
99.00817	2.5
99.04436	1.5
101.02374	2.5
103.03938	2.8
105.03409	0.6
105.07015	0.7
107.04970	0.5
107.08611	0.3
111.04490	0.3
113.02367	8.3
115.03951	0.5
117.01859	0.5
117.05496	0.7
117.07024	0.3
119.04930	2.6
119.08601	0.9
121.06502	0.3
121.10202	0.3
123.00784	0.4
123.04452	0.6
127.03947	0.3
129.05380	0.3
131.03410	3.1
133.06435	0.4
133.10089	0.5
135.08075	0.3
137.05983	5.1
137.09586	0.6
138.06342	0.2
141.01822	12.2
141.05472	0.4
145.04980	0.8
147.04420	1.1
147.07974	0.3
149.09555	0.3
151.03960	0.5
153.05399	0.3
155.03403	0.4
159.02904	2.7
159.06522	0.8
161.05943	0.4
161.09683	0.3
165.09186	0.3
169.04971	1.0
173.04449	0.4
175.03903	2.0
177.05412	0.4
187.06009	1.4
189.09074	0.6
189.12778	0.5
191.10460	1.2
193.08600	20.9
194.09018	1.2
197.04488	0.9
201.03752	1.1
203.05342	0.4
207.06493	4.2
207.09825	0.4
207.13797	0.8
211.09575	0.5
215.05513	2.7
221.08064	0.6
233.06577	0.8
234.06833	0.4
235.09612	2.7
247.07591	0.3
262.74603	0.4
277.10724	0.5
315.08658	0.4
333.09485	0.3
344.41190	0.3
351.10968	0.9
369.15256	23.2
370.15680	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.118
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
53.03951	3.2
53.48651	0.4
55.01870	0.9
57.03421	1.5
61.02913	0.5
65.03928	1.6
67.05508	0.5
69.03430	8.4
69.62109	2.2
71.04984	1.9
73.02904	1.0
77.03933	0.9
79.05487	0.5
79.81367	0.4
81.03416	25.3
81.07031	0.6
82.03784	0.6
82.74964	0.4
84.91039	0.4
85.02908	8.0
89.03900	1.0
91.05481	29.0
92.05807	0.8
97.02880	1.7
99.04445	3.3
103.05424	0.8
105.03381	0.7
105.07009	1.4
107.04942	0.6
109.02880	8.4
109.10178	0.5
118.04163	0.6
119.04942	40.1
119.08577	1.0
120.05254	1.9
121.10168	0.4
127.03930	2.3
129.03325	0.8
131.04852	0.6
132.02049	1.9
133.02774	0.5
133.06447	0.7
133.10036	0.7
136.05209	0.7
137.05975	0.9
137.09619	0.5
145.02849	1.1
147.04407	31.5
148.04742	1.1
149.02380	1.7
151.07582	0.4
157.03949	3.9
158.29236	0.5
161.09612	1.3
163.03918	0.5
164.04686	1.2
167.07036	0.6
175.03906	53.5
176.04239	2.5
179.07048	2.4
179.10617	0.6
189.09018	0.5
192.04155	3.0
205.08514	0.4
207.06523	100.0
208.06865	4.6
225.07526	2.1
309.09634	1.4
351.10724	27.3
352.11194	2.5
369.11835	2.9
369.22708	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1178
Annotation	Phellodenol H
Peak:m/z	Relative Intensity
53.03976	1.6
57.03468	1.3
61.02958	1.1
62.73587	0.6
65.03968	1.0
69.03427	4.6
71.05016	1.6
71.11190	1.3
73.02983	0.8
79.01853	3.7
79.05534	0.8
81.03421	8.2
85.02913	4.4
89.03937	0.7
91.05470	10.6
93.07098	0.8
95.58052	0.5
97.02914	1.2
99.04503	1.9
103.03973	0.6
105.07075	1.6
109.02859	3.4
109.06517	0.9
111.02773	0.7
117.03420	1.1
119.04942	12.3
119.08560	1.2
123.04402	0.5
124.03994	0.7
127.03963	1.7
131.08612	0.9
132.02174	0.6
133.10133	0.8
137.06020	1.9
139.78908	0.7
145.02893	2.0
147.04401	12.7
147.09158	0.9
148.09555	1.0
149.02312	0.8
149.06038	1.1
149.09648	0.7
151.07634	0.7
157.04059	1.3
161.05998	1.1
161.09679	0.6
162.05490	0.6
163.03955	1.7
163.07501	2.9
163.11209	1.0
165.01849	1.2
165.05472	1.4
165.09068	0.6
175.03903	17.8
175.05405	1.0
175.07581	0.8
176.04485	0.7
177.01880	0.7
177.05486	4.8
179.07065	4.0
189.05511	0.9
189.09146	1.2
189.12714	8.1
189.14009	0.7
191.07007	3.9
192.04185	1.1
192.07777	7.6
195.06499	4.0
203.07076	1.6
205.04958	1.5
206.05777	1.6
207.06514	36.4
208.04175	0.8
208.06763	1.9
215.07114	1.5
216.07851	1.1
217.04967	3.9
217.08459	0.9
218.05635	1.3
219.06520	82.2
220.07283	38.2
220.09535	0.7
221.07997	3.3
225.07620	2.1
229.04831	0.8
230.05823	1.5
231.06511	12.8
232.07050	1.1
233.04610	0.8
233.08090	19.6
234.05194	0.9
234.08345	1.0
241.04965	1.1
241.08565	0.8
243.02917	2.1
243.06500	1.6
244.07265	5.2
245.08099	7.8
247.05951	4.0
247.09706	1.2
249.07573	100.0
250.07899	6.2
257.08008	1.1
259.06064	4.4
259.09653	20.3
260.09952	0.7
261.03909	2.0
261.07620	4.5
263.09091	2.3
269.08124	0.9
273.07574	25.8
274.07889	2.0
275.09024	1.2
277.06726	1.1
279.08655	5.2
285.07584	1.7
287.09167	8.4
291.08530	2.2
297.07675	1.0
303.08630	24.7
304.08783	1.4
315.08621	14.0
316.09009	0.9
325.15894	1.0
333.09665	29.9
334.09863	2.6
351.10736	41.3
352.10913	3.1
369.11560	55.9
369.15231	7.6
370.11926	3.6
370.15802	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.118
Annotation	Phellodenol H
Peak:m/z	Relative Intensity
53.03944	0.9
55.01868	0.6
57.03419	1.3
57.41967	0.4
58.33628	0.6
59.87732	0.4
66.38699	0.4
69.03419	1.7
81.03419	2.3
85.02913	4.0
85.33031	0.4
91.05465	2.0
93.07015	0.7
97.02878	1.2
99.04441	1.8
103.03933	1.3
105.07040	0.7
107.04942	0.6
109.02859	1.8
119.04921	1.5
119.08580	0.7
121.02847	0.5
121.06509	0.6
127.03899	1.1
131.04869	0.6
133.06490	0.5
135.47699	0.4
137.02341	0.6
137.05905	0.7
145.10124	1.0
147.04402	1.2
149.02321	0.6
151.03905	0.7
161.05951	0.7
161.09525	0.5
163.07498	0.6
165.01833	0.9
165.05467	1.5
167.03395	0.6
175.03806	2.1
175.07541	1.7
177.05501	0.6
180.52097	0.5
189.09059	0.8
189.12714	1.3
191.07001	1.2
202.06181	0.6
203.07042	14.4
204.04175	1.6
204.07350	0.8
206.05771	2.1
207.06490	8.6
207.08244	0.6
207.10138	0.8
207.13838	1.0
213.09149	0.5
215.06955	1.0
216.04158	1.5
217.05135	0.8
217.08589	7.5
219.06523	100.0
220.07141	10.1
221.07964	0.6
227.06964	0.6
229.04953	0.7
229.08649	0.7
230.05797	2.0
231.04239	0.7
231.06519	12.4
231.09969	2.4
232.06773	0.9
233.04475	1.0
233.08084	2.1
241.08592	3.3
243.02991	0.5
243.06458	3.2
244.07278	2.5
245.04424	1.3
245.08095	17.9
246.08464	1.3
247.06090	0.8
249.07585	70.8
250.07907	3.1
257.08093	2.6
259.09644	9.2
260.09900	0.6
269.08057	4.0
271.05960	1.1
273.07581	31.4
274.07843	1.7
285.07574	10.5
286.07880	0.7
287.09055	2.7
297.07590	11.0
298.07993	1.2
303.08621	16.9
304.08920	1.4
315.08636	15.0
316.09000	0.9
333.09671	13.2
334.09946	1.0
351.10757	6.8
369.11319	3.0
369.19427	1.0
386.20007	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.8
53.03947	3.1
55.01866	0.5
55.05498	0.7
57.03438	2.0
61.02935	0.5
65.03947	2.2
67.05511	0.7
69.03427	8.8
69.07032	0.4
69.13333	0.6
69.13734	2.9
71.04990	1.7
73.02903	1.4
76.03172	0.4
77.03935	0.7
79.05489	0.7
81.03412	27.4
81.07059	1.0
82.03756	0.9
83.04973	0.5
83.21859	0.4
85.02898	8.1
89.03931	0.8
91.05476	28.8
92.05805	0.7
93.07047	1.0
95.04970	0.8
95.08629	0.8
96.86238	0.5
97.02879	1.5
99.04456	4.6
103.05437	1.0
105.03398	0.8
105.07028	3.2
107.04988	0.5
107.08572	0.7
108.05718	0.5
109.02870	10.5
109.10141	0.7
118.04183	0.5
119.04937	41.7
119.08553	1.4
120.05275	2.1
121.02866	0.6
121.06489	0.6
123.04436	0.5
127.03929	3.8
129.03372	0.6
131.04967	0.8
132.02069	1.7
133.02794	0.7
133.06491	0.5
133.10124	2.0
135.04431	1.1
136.05183	0.5
137.06001	1.0
145.02779	0.7
147.04402	35.5
148.04788	1.5
149.02339	0.9
151.03973	0.5
151.07492	0.7
157.03908	4.0
161.09645	1.8
161.13235	1.5
162.03169	0.5
163.11244	0.7
164.04648	1.6
167.07083	0.5
168.44936	0.4
174.24316	0.5
175.03900	55.2
176.04231	2.7
177.05553	0.5
179.07042	2.7
179.10680	0.6
189.09160	0.5
189.12761	1.2
192.04172	3.9
207.06512	100.0
207.13791	5.6
208.06839	4.6
225.07487	1.9
277.08569	0.8
309.09390	1.0
337.10461	0.5
342.28415	0.4
351.10733	28.3
352.11044	2.5
359.71429	0.4
369.11954	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	369.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
55.01871	0.6
55.05502	0.9
58.06582	0.3
65.03937	2.1
67.05492	0.8
69.03419	0.7
69.07046	0.4
69.56393	0.9
69.56802	0.8
79.05070	0.3
79.05486	1.3
81.03439	1.5
81.07063	0.5
82.04188	0.6
83.08595	0.5
85.02906	0.5
86.55704	0.3
91.05481	1.4
93.03393	0.5
93.07005	0.9
95.04964	1.2
95.08585	0.7
97.06521	0.6
99.04427	0.3
100.11253	0.8
103.05464	0.7
105.07026	0.9
106.50552	0.3
107.04960	1.4
107.08631	0.5
109.02876	0.6
109.06497	0.4
109.10150	0.5
110.03648	1.2
111.04456	1.7
115.05489	0.6
119.04905	1.0
119.08572	0.7
120.42533	0.3
121.02817	0.5
121.06506	0.6
122.03630	0.6
123.04468	0.3
125.06003	1.7
127.03872	0.4
129.06999	0.5
131.04913	0.6
131.64262	0.3
133.06509	0.4
133.10153	0.6
135.04428	0.3
137.05962	3.4
137.09608	0.3
137.63048	0.3
140.10736	0.7
144.05684	0.5
145.06506	0.7
147.04385	1.3
149.06058	0.4
151.03903	0.7
151.07535	0.5
153.05470	3.8
155.04877	0.4
159.08116	0.7
161.05981	1.3
161.09604	0.8
163.03922	0.4
165.05496	0.4
165.06999	0.4
167.07016	1.5
168.10275	0.6
172.05157	0.3
175.03886	1.0
175.07509	0.8
177.05528	0.5
181.04951	4.2
181.06451	0.6
183.06520	0.4
184.16948	0.5
185.05959	0.5
186.06847	0.4
187.07539	0.9
189.07010	0.6
190.07803	0.8
191.07004	0.4
191.08539	0.7
195.08081	0.5
198.06693	0.6
199.07509	1.7
201.19478	0.3
202.07838	0.4
203.08617	0.4
205.06441	0.5
206.07228	0.8
207.06412	2.0
207.08200	0.7
207.09959	0.3
208.08821	0.5
215.06969	0.4
216.07751	1.5
218.07307	1.1
219.06308	0.6
219.08226	1.5
220.08916	0.7
221.06036	0.6
221.09639	0.7
229.08659	0.8
231.08020	1.1
233.05978	0.4
234.06720	1.3
235.07475	1.6
236.08311	1.2
237.09068	0.6
246.06796	0.4
247.07573	1.1
248.08315	1.3
249.09241	1.5
250.09822	0.4
251.07040	1.2
251.10553	1.5
252.07809	0.3
261.09225	0.4
262.06323	0.7
263.06970	1.1
263.10687	0.4
264.07776	2.4
265.08533	1.1
266.09494	0.5
267.10214	0.4
275.07141	0.6
276.07767	0.9
277.08624	2.3
278.09335	0.5
279.06570	0.9
279.10138	1.4
281.08316	0.4
281.11539	0.5
283.09464	0.4
290.05664	0.4
291.07031	0.3
291.10315	0.9
292.07214	0.4
293.08041	1.1
294.08694	1.3
294.83359	0.3
295.09756	0.7
296.10617	0.4
305.08130	0.8
306.08774	0.6
307.06238	0.6
307.09583	4.2
308.10352	0.8
309.11227	1.9
311.12735	1.9
319.09628	0.5
320.10138	0.4
322.08411	0.6
323.09073	0.9
324.09772	0.9
325.10452	0.4
326.11569	0.6
327.12073	0.6
336.10110	0.4
337.10651	4.8
338.11206	0.7
339.12167	4.3
340.12689	0.5
341.13831	1.3
351.12000	0.9
352.24789	0.7
354.10995	0.6
368.29211	0.4
369.13150	5.2
369.18909	6.0
369.22482	100.0
370.14789	0.4
370.22891	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	369.1331
Annotation	10-Demethoxystegane
Peak:m/z	Relative Intensity
55.01870	1.3
55.05511	1.7
57.27332	0.8
67.05496	2.8
69.03426	0.9
69.07051	1.0
69.34457	3.2
69.34878	3.0
74.29349	0.8
79.05492	1.9
81.03403	1.7
81.07056	2.9
91.05478	2.9
93.07075	1.7
95.08599	1.3
98.23253	2.0
99.04468	1.3
103.05442	0.9
105.07018	2.8
106.60562	0.9
107.04965	2.5
109.10190	1.0
118.04122	0.9
119.04932	1.4
119.08626	1.7
121.06458	1.0
128.02512	0.9
128.06224	1.3
131.04922	1.6
133.06491	1.0
133.10094	1.5
135.04411	0.9
137.05966	3.2
144.05667	1.3
151.03970	1.0
152.06323	1.2
155.04959	1.4
159.08055	1.5
161.06050	1.9
165.07028	2.6
166.07861	1.5
167.07014	1.7
167.08507	1.1
176.81570	0.9
177.07045	1.2
178.07739	4.3
179.08601	2.6
181.05035	1.4
181.06427	2.0
189.06952	2.7
190.07695	2.0
191.08575	3.8
193.06480	1.3
194.07300	4.0
195.08064	3.4
202.07787	4.6
203.08502	3.8
204.09195	1.3
205.06502	3.9
206.07303	4.4
207.08054	5.3
208.08781	1.6
209.05959	1.1
209.09669	2.4
211.07596	1.7
215.08655	1.0
218.07257	4.0
219.08023	9.4
220.08733	4.7
221.06096	3.1
221.09633	2.3
222.06735	5.3
223.07501	5.6
224.08327	1.1
230.07338	2.0
231.08090	8.0
232.08775	2.4
233.06021	2.4
233.09596	1.1
234.06732	4.3
235.07497	6.9
236.08167	2.5
237.05440	1.5
237.09097	6.3
238.06223	2.7
238.09860	1.0
239.07109	1.7
245.05930	1.1
246.06569	1.2
247.07457	5.7
248.08252	6.6
249.05437	1.6
249.09071	6.1
250.06198	4.7
250.09886	1.7
251.07008	8.9
251.10666	1.2
252.07771	3.3
253.08493	1.4
259.07626	2.6
260.08188	1.3
261.05490	1.5
261.09085	3.0
262.06146	2.1
262.10104	0.9
263.07053	3.8
263.10660	2.9
264.07770	4.0
265.08569	14.8
266.05634	1.1
266.09332	5.2
267.06482	1.6
267.10010	1.4
273.08865	1.0
275.07016	1.2
276.07712	4.7
277.05780	0.8
277.08514	5.1
278.05887	1.2
278.09335	3.1
279.06491	3.9
279.10144	5.0
280.07162	1.9
280.10840	1.4
281.08176	1.1
281.11575	2.1
282.08835	1.4
283.09769	1.7
289.04706	1.2
290.09052	1.3
291.10074	12.5
293.07928	6.9
294.08844	7.8
295.09445	2.4
299.56979	0.9
305.08084	4.5
306.08658	2.0
307.09503	5.6
308.10278	2.6
309.11145	14.7
310.11627	1.4
311.09009	1.7
319.09650	8.9
322.08453	3.0
323.08908	1.8
325.10498	1.2
326.11444	1.3
337.10666	100.0
338.11179	13.3
339.12183	1.3
341.13724	2.6
351.12192	1.9
354.10803	1.7
369.08725	2.1
369.13260	37.6
369.18732	21.8
369.22562	13.0
370.13559	3.0
370.18423	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.4
55.01875	1.6
55.05517	7.6
61.70922	1.1
65.03922	1.6
67.05496	5.3
69.03432	14.0
69.07059	3.4
71.04995	8.5
71.31702	2.1
79.05485	5.1
79.96255	1.1
81.03415	15.2
81.07056	6.9
83.04967	1.4
85.02920	10.6
85.06544	1.5
86.86349	1.0
91.05474	31.5
93.07049	4.9
94.99319	1.0
95.04955	5.7
95.08588	4.8
97.02891	3.8
97.69117	1.1
99.04447	14.0
103.05450	2.2
105.07030	27.3
107.04942	2.6
107.08598	29.4
109.02867	5.3
109.06544	2.0
109.10152	20.9
111.56436	1.1
114.70293	1.2
117.07006	3.0
119.04948	29.1
119.08587	34.4
121.06512	19.4
121.10157	4.9
123.08089	2.3
127.03914	2.8
128.06213	2.4
129.07007	2.3
131.04860	1.6
131.08574	3.5
132.02071	1.9
133.06525	5.6
133.10139	12.4
135.04393	2.4
135.08064	6.8
135.11717	1.5
137.05972	5.8
143.08575	3.3
145.10136	2.8
146.07291	1.5
147.04410	25.1
147.08051	15.1
147.11682	13.2
149.09633	1.4
151.03886	2.4
151.07536	3.5
156.09380	6.0
157.03952	4.1
159.08005	1.5
159.11700	13.1
160.08856	3.2
161.05969	2.6
161.09627	7.4
161.13261	28.2
162.13570	2.3
164.04701	1.7
164.29126	1.1
167.07066	1.4
170.00987	1.3
171.11674	3.8
174.10374	2.1
175.02412	2.1
175.03908	36.1
175.05406	2.1
175.07410	1.1
176.04314	2.2
177.12796	6.3
179.07080	2.6
189.09044	2.1
189.12738	22.3
201.09259	1.2
207.06526	69.9
207.13800	100.0
208.06839	3.5
208.14096	4.4
222.73691	1.2
245.11848	2.0
287.79440	1.2
319.09570	1.7
351.10779	11.5
351.14560	2.2
369.12881	4.1
369.18304	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64705	1.4
55.05491	5.1
56.96563	38.5
58.98015	1.2
63.63393	1.3
67.05499	2.1
69.07041	2.9
69.85844	5.6
71.95243	6.4
72.96032	3.8
81.07043	1.7
83.08588	5.2
84.96037	1.4
91.05454	3.8
93.06999	2.4
95.08578	2.1
105.06998	1.9
109.31237	1.4
110.97533	5.0
115.00688	1.9
121.56588	1.3
123.01213	2.0
126.39419	1.3
128.98557	4.9
137.02763	1.6
146.99687	1.4
147.22896	1.2
149.06032	1.4
155.03690	2.1
167.26404	1.3
169.05334	1.8
169.84233	1.4
171.03281	2.4
171.52258	1.5
181.05031	2.1
185.04735	2.1
195.06885	1.8
199.06366	5.2
203.05850	2.3
213.07980	17.1
217.07408	5.0
225.07967	5.9
229.07370	5.8
231.09021	13.7
237.07925	3.2
239.09486	3.8
241.11111	9.8
243.09006	4.6
247.08594	3.1
251.09497	9.1
255.08966	6.3
257.10544	2.7
259.12170	8.4
269.10580	41.0
270.10861	2.1
273.09857	2.0
277.08298	1.8
287.11630	19.1
313.10657	1.7
315.16275	2.0
323.18195	6.1
333.17322	16.0
334.17468	1.6
337.10663	3.3
351.18338	33.1
352.18753	2.2
369.13403	8.0
369.19208	100.0
370.19644	9.5
374.19937	2.0
387.20508	66.7
388.20816	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.2
55.01871	2.1
55.05510	4.0
55.94949	0.5
57.03437	0.8
59.04998	0.6
63.33479	0.5
65.03924	1.1
67.05500	5.5
69.03445	0.9
69.07056	4.4
70.46424	1.2
70.46766	0.8
71.04987	1.7
73.02897	0.5
79.05497	8.1
80.05837	0.6
81.03421	1.2
81.07054	7.6
83.04990	2.8
83.08621	3.0
85.02886	0.9
85.06563	0.8
88.39411	0.5
91.05479	10.8
93.07051	5.9
94.27218	0.5
95.04967	2.5
95.08603	4.9
97.06529	1.7
97.10152	1.5
99.04482	1.1
99.08083	0.8
103.05471	8.7
105.07030	14.4
106.07319	0.7
107.04954	38.9
107.08595	4.9
108.05291	1.1
109.06506	1.8
109.10159	2.9
111.04440	3.4
111.08082	1.5
115.05430	1.7
117.07011	9.1
119.04945	3.3
119.08571	3.7
121.06505	14.3
121.10130	2.4
123.08055	1.3
123.11684	0.7
124.98912	0.6
125.05975	1.1
125.09651	1.1
128.06219	1.7
129.06989	3.4
129.09122	1.4
130.07784	3.9
131.04918	11.4
131.08589	2.9
132.05678	1.1
133.06502	7.0
133.10132	2.4
135.08057	5.6
135.11681	2.3
137.05977	13.9
137.09608	0.8
139.07635	0.6
141.06992	1.2
142.07828	0.7
143.08568	5.2
144.05721	1.9
145.06488	12.5
145.10124	30.6
146.10446	1.5
147.04420	2.1
147.08022	2.3
147.11707	1.7
148.05183	2.0
149.05983	6.5
149.09642	1.1
149.13251	1.3
151.03903	2.2
151.07553	9.4
153.12811	0.5
155.06033	0.6
155.08540	2.2
157.06479	1.3
157.10130	1.3
158.07266	6.4
159.08038	2.0
159.11710	3.0
161.05978	1.5
161.09644	1.4
161.13255	0.8
163.07539	21.5
163.11205	1.5
164.08331	6.2
165.09122	14.0
167.06979	0.6
167.14395	1.0
169.10106	1.6
171.08051	3.1
171.11684	0.7
172.08827	1.5
173.09619	25.8
174.06760	1.8
174.10063	1.0
175.07545	16.4
175.11134	0.9
176.08183	1.2
177.09102	1.1
177.12744	10.0
178.13037	0.9
179.06935	1.2
185.09619	1.2
185.13252	1.9
187.07593	0.7
187.11064	3.2
188.08316	1.8
188.11861	0.6
189.09105	1.8
189.11217	0.8
189.12823	0.6
190.09921	1.1
191.07001	0.6
198.10353	0.8
199.10939	0.7
201.09158	1.1
203.10651	4.8
205.12241	100.0
206.12579	5.7
207.06506	1.6
211.11118	1.1
213.12793	3.3
215.10713	0.7
217.12169	1.5
217.15810	1.5
223.13312	1.8
227.10722	1.1
230.13014	2.5
235.07585	0.7
241.14258	3.6
245.15369	35.3
246.15656	2.1
249.09187	1.0
309.11304	0.6
311.12668	1.2
327.15900	1.1
333.20673	0.8
351.11807	0.7
351.15997	0.7
351.21240	0.6
369.09479	1.2
369.13242	1.1
369.20245	3.4
369.31171	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
55.01864	2.7
55.05513	3.6
57.03426	2.0
57.07050	1.0
62.68999	0.7
65.03927	1.9
67.05507	5.1
67.05798	1.0
69.03425	7.5
69.07065	3.5
71.04985	2.7
77.03924	1.5
79.05489	6.5
81.03033	1.0
81.03422	13.8
81.07053	7.7
83.04974	1.5
83.08608	2.6
85.02914	4.7
85.32780	0.7
85.84315	0.7
89.03914	0.7
91.05477	25.5
92.05790	1.5
93.07035	4.9
95.04975	4.1
95.08607	6.4
97.02886	1.5
97.06538	1.4
97.10151	1.5
98.23317	2.1
99.04441	3.9
103.04839	0.9
103.05467	9.0
105.07028	21.7
106.07362	1.0
107.04952	34.9
107.08591	4.4
108.05267	1.1
109.02869	5.2
109.06502	2.9
109.10139	2.6
111.04461	1.0
111.08076	1.1
115.05450	2.6
117.07017	8.6
118.04137	0.7
119.04943	21.2
119.08600	5.8
121.06496	10.1
121.10149	3.7
123.04440	1.3
123.08048	1.8
127.03886	1.6
128.06230	2.1
129.03433	0.8
129.06966	2.7
130.07805	4.3
131.04924	10.6
131.08546	3.3
132.05647	0.7
133.06482	10.4
133.10149	6.1
134.10500	0.8
135.04436	0.9
135.08028	5.0
135.11690	1.8
136.05032	0.7
137.05984	19.0
137.09615	2.3
139.03870	0.9
141.07002	0.8
141.94936	0.7
143.08560	5.4
144.05713	3.2
145.06490	12.0
145.07590	1.6
145.10127	26.9
146.10419	1.6
147.03305	1.2
147.04410	16.9
147.08058	3.2
147.11623	2.3
148.05098	2.2
149.05960	4.8
149.09628	1.6
149.13303	1.7
151.03917	2.2
151.07535	12.2
155.08575	2.3
157.03908	2.0
157.06505	2.6
157.10112	3.4
158.07268	4.6
159.08066	1.6
159.11679	1.8
161.05945	2.8
161.09616	6.3
161.13245	1.8
162.09857	0.7
163.03873	0.9
163.07538	20.1
163.11121	2.3
163.14828	1.0
164.08325	6.3
165.05441	1.2
165.09114	22.9
165.12839	0.8
169.05034	0.8
171.08061	5.0
171.11694	1.5
172.08820	2.3
173.09619	23.0
173.13268	1.2
174.06740	2.9
175.03917	24.8
175.07527	18.1
175.14862	1.0
176.04341	0.9
176.08128	1.6
176.66196	0.7
177.05458	1.1
177.09203	0.8
177.12775	7.5
179.06984	2.0
179.10670	2.4
181.04933	1.2
184.08649	0.8
185.09576	1.1
185.13268	2.5
187.07652	0.9
188.08337	1.5
189.09122	4.4
190.09923	1.1
198.10396	1.6
201.09196	1.2
203.10602	3.7
205.12238	100.0
206.12573	6.4
207.06514	44.8
207.08467	1.5
207.09811	1.2
207.13927	1.1
208.06854	2.5
213.12767	6.0
215.10652	1.1
216.11287	1.0
217.08682	1.7
217.11987	1.1
217.15825	1.4
221.09680	1.2
230.12988	3.8
235.07404	1.0
245.08064	1.5
245.15378	43.1
246.15742	2.9
249.08960	1.6
251.07042	1.1
277.08646	1.0
291.57291	0.8
309.11075	1.5
336.09540	0.8
337.10669	2.4
338.10861	0.7
351.10678	9.4
351.14017	0.9
352.11127	0.9
369.13181	5.3
369.19287	2.2
369.27328	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.7
56.96563	0.9
57.01765	0.7
67.05490	1.2
69.07076	0.8
71.32310	0.6
71.32693	1.0
79.05500	1.5
81.07074	1.8
84.93024	0.5
91.05484	1.5
93.07056	1.4
95.08622	1.3
105.07043	0.7
107.04938	0.9
107.08591	1.1
109.10168	0.9
109.73854	0.5
121.10184	0.7
137.05940	1.5
145.10094	1.1
147.11792	0.7
167.07042	0.8
168.86455	0.6
181.05029	0.9
187.07608	0.7
202.07742	0.8
206.07283	0.7
217.07559	0.7
219.08072	0.9
229.07492	2.0
231.08026	0.8
234.06677	1.1
235.07570	1.2
247.08441	0.7
248.08395	0.9
249.09232	1.0
250.06177	0.6
251.07117	0.8
277.08670	1.6
291.09906	0.7
293.08069	0.6
305.08044	1.1
309.11224	1.6
337.10657	5.7
338.10895	0.7
351.18219	1.9
369.13147	4.8
369.22531	100.0
370.22870	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	369.2245
Annotation	Pro Pro Arg
Peak:m/z	Relative Intensity
54.00316	0.3
65.03934	0.8
67.05519	0.4
69.10583	2.4
69.10992	0.6
79.05499	0.5
81.03419	0.3
81.07082	0.3
81.99023	0.3
83.35388	0.3
91.05479	0.7
95.04926	0.4
105.07069	0.4
107.04971	0.7
110.03639	0.7
119.04960	0.4
121.06530	0.4
131.04912	0.4
137.05956	1.9
147.04398	0.3
153.05467	0.9
155.04845	0.3
161.05954	0.3
167.07034	0.5
175.04036	0.3
178.07762	0.3
181.04973	2.1
187.07567	0.5
199.07498	0.4
207.06502	0.7
215.07025	0.4
219.06461	0.5
233.05841	0.3
234.06728	0.5
235.07515	0.5
248.08372	0.6
249.09145	0.8
251.10733	0.5
264.07779	0.6
279.09973	0.4
293.07855	0.4
295.09573	0.4
305.07892	0.3
307.09680	0.8
309.11166	0.7
337.10760	1.5
338.11142	0.5
339.12134	0.9
354.10858	0.4
369.12955	2.7
369.18988	4.6
369.22467	100.0
370.22778	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	369.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.3
53.39488	1.2
55.01858	5.0
55.05510	51.9
57.03432	27.2
57.07071	6.6
59.04995	1.3
59.49664	1.1
62.72766	1.0
65.03932	2.4
67.05502	86.9
68.05833	1.7
69.03402	1.4
69.07064	52.5
69.21091	1.0
69.36147	6.0
69.36556	2.4
70.07392	1.5
70.87216	1.0
71.04990	6.3
71.08628	1.4
77.03857	1.3
79.05489	64.2
81.07052	100.0
82.07396	2.6
83.04975	7.4
83.08617	37.1
85.06533	6.8
87.04473	1.3
91.05475	42.8
93.07040	76.2
94.07356	2.4
95.04958	5.2
95.08600	71.0
97.06522	16.1
97.10157	15.9
99.04435	1.1
99.08101	5.0
103.05479	1.8
105.07019	30.7
107.08585	45.3
109.06502	3.4
109.10149	28.4
111.08071	9.2
111.11728	4.2
113.09591	1.8
115.05445	1.2
117.07018	8.5
119.08573	28.1
121.10139	78.6
122.10459	2.9
123.08070	6.5
123.11673	7.8
125.09618	5.5
127.07499	1.4
127.11176	1.2
129.06952	1.7
131.08563	12.4
133.10117	20.7
134.10493	1.8
135.08051	1.5
135.11685	57.0
137.09584	8.7
137.13235	2.6
139.11159	3.3
143.08562	3.6
145.10107	13.5
147.11679	22.5
149.09615	4.3
149.13242	20.1
150.13576	1.2
151.11191	9.8
151.14784	1.4
153.12711	1.3
157.10150	2.8
159.11681	12.4
161.13228	11.6
162.13614	1.7
163.11171	7.4
163.14827	2.8
165.12762	9.5
167.10692	1.5
167.14363	1.6
171.11705	4.7
173.13228	4.6
175.11234	1.4
175.14803	5.7
176.15257	1.2
177.12762	6.7
179.14305	3.8
181.12244	5.4
185.13246	4.1
189.16423	2.2
193.15875	2.6
195.13852	6.7
199.14885	2.9
213.16312	1.7
215.17880	1.3
220.30142	1.2
221.11526	3.2
231.21091	4.5
235.16891	1.5
241.19547	8.0
249.22179	4.8
259.20532	14.5
277.21606	75.0
278.21893	6.2
295.22614	3.3
313.23700	4.4
351.25275	11.4
369.26373	90.5
370.26834	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	369.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50103	2.0
53.03934	3.8
55.01870	11.7
55.05510	59.6
57.03438	20.9
57.07063	6.9
65.03919	3.4
67.05153	3.8
67.05501	71.1
69.03419	5.7
69.07063	32.0
70.20635	5.9
71.04987	5.0
71.08263	3.1
71.08630	39.9
79.05486	49.2
80.05826	2.3
81.03405	9.5
81.07050	100.0
83.04967	13.5
83.08616	47.4
85.06537	7.0
85.10149	3.5
87.04449	2.7
91.05470	44.6
93.07036	48.5
95.04957	16.9
95.08597	46.5
97.06538	15.0
97.10155	7.8
99.08083	34.7
101.06087	2.6
105.07031	41.7
107.04952	5.6
107.08585	29.3
109.06505	14.6
109.10136	19.0
111.08062	20.3
113.09640	7.6
117.06955	6.2
119.08574	31.5
121.06488	5.2
121.10133	28.5
123.08043	7.9
123.11698	17.4
125.09624	7.2
128.06293	3.0
129.07005	5.3
131.08521	8.6
133.10114	23.4
135.08057	2.9
135.11668	10.9
137.05960	7.9
137.09622	8.8
137.13187	3.1
139.11151	7.0
141.09148	2.5
143.08559	3.5
145.10066	5.6
147.04428	2.5
147.07983	3.4
147.11679	36.0
148.12027	2.9
149.05963	3.2
149.09624	3.2
149.13235	19.0
151.03894	8.1
151.07491	2.4
151.11168	24.4
153.12669	3.7
157.10152	4.1
159.11621	5.8
161.09590	4.6
161.13181	11.8
163.11191	7.3
163.14803	3.4
165.05457	5.6
165.09105	3.2
165.12721	28.6
167.07021	5.5
167.14281	4.2
171.11682	3.1
173.11739	3.7
173.13139	3.5
175.03947	3.4
175.11174	7.4
175.14818	3.3
177.12700	3.2
179.14301	6.9
181.04929	4.0
187.07550	2.9
189.11168	3.7
193.12151	3.4
195.13756	3.5
198.26041	2.9
199.14810	2.6
206.07262	3.0
207.06491	6.3
231.08047	3.6
231.21083	5.3
234.06822	4.7
241.19528	4.5
249.08968	3.2
249.22211	5.8
251.06998	2.8
257.08020	13.9
259.20590	8.2
269.17511	7.1
277.08505	3.8
277.21603	59.0
278.21976	5.0
279.06482	2.8
295.09497	3.1
295.22699	9.2
305.07935	4.4
309.11151	4.9
337.10666	11.8
339.12164	3.2
351.12173	9.6
351.25327	9.6
369.13251	31.3
369.18719	9.3
369.22644	3.6
369.26358	38.3
370.26846	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77536	15.9
55.05511	39.0
57.07068	48.0
67.05490	52.2
67.70786	15.7
69.07061	81.6
70.90275	32.2
71.08591	20.3
79.05485	50.1
81.07050	100.0
83.08622	28.2
91.05473	24.5
93.07040	40.7
95.08577	82.5
97.10155	39.5
105.07034	30.7
107.08594	32.2
109.10138	31.8
115.19939	15.6
119.08586	41.2
121.10145	36.1
133.10123	37.8
135.11681	54.7
187.85793	21.5
198.18536	89.3
215.21303	16.9
219.08064	52.3
246.06693	20.5
247.07520	48.1
251.06671	20.1
262.06253	27.1
290.05701	24.0
291.06485	52.5
319.06030	18.1
327.07867	24.7
333.27805	43.1
337.06931	73.6
338.07425	18.4
351.08530	43.8
369.09378	23.9
369.43008	28.1
370.09528	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	369.315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.4
55.05511	10.2
57.07063	2.7
65.03933	1.8
67.05503	21.3
69.03415	1.1
69.07066	13.1
69.66708	0.8
71.04998	1.1
71.32304	0.7
72.32453	0.7
75.22536	0.7
75.23058	0.8
77.03931	0.8
79.05489	21.4
80.05836	0.8
81.07051	53.3
82.07378	1.3
83.04980	0.8
83.08620	6.8
85.06538	0.8
91.05473	31.4
93.07037	40.8
94.07390	1.4
95.04951	1.9
95.08601	37.8
96.08960	1.4
97.06533	2.6
97.10159	3.4
98.22607	1.7
103.05470	3.7
105.07021	42.2
106.07349	1.8
107.04962	0.8
107.08586	47.5
108.08891	1.4
109.06541	1.2
109.10143	23.1
111.08054	2.7
115.05450	1.8
117.07021	5.7
119.08567	37.3
120.08941	1.0
121.10135	35.7
122.10506	1.3
123.08041	1.4
123.11693	11.5
125.09628	1.7
126.56429	0.7
129.06995	2.3
131.04962	1.4
131.08566	9.6
133.06511	1.8
133.10126	26.6
134.10522	1.3
135.08099	1.3
135.11681	37.8
135.20201	0.9
136.12013	1.4
137.05949	4.2
137.09584	1.5
137.13196	3.7
139.11171	1.9
143.04904	1.6
143.08533	3.0
144.05885	0.8
145.06511	0.9
145.10118	17.0
147.11674	51.8
148.12018	2.3
149.06015	0.9
149.13243	20.2
150.13678	0.9
151.07542	3.1
155.08458	1.2
157.10132	3.4
159.08095	0.8
159.11690	13.1
161.05975	11.6
161.13243	36.1
162.06334	1.3
162.13603	1.5
163.07550	3.3
163.14809	27.2
164.08255	1.0
164.15276	0.9
165.12820	1.2
166.07735	1.4
167.03336	1.0
169.10078	1.0
171.11670	3.2
173.09592	1.2
173.13260	10.6
175.07491	1.1
175.11157	1.0
175.14816	11.6
177.09116	1.0
177.12773	1.5
177.16417	4.2
179.14316	3.2
183.11760	1.2
185.13197	4.2
186.02040	0.8
187.07535	1.1
187.14833	7.4
189.16370	15.6
191.14305	1.2
191.17912	7.7
199.14803	3.7
201.09085	2.4
201.16383	6.7
203.17902	6.6
205.15862	1.9
207.17389	6.6
211.14729	1.4
213.16409	4.3
214.17090	1.2
215.17943	13.1
216.18361	0.8
217.12291	0.9
217.19476	3.7
219.17473	0.9
225.16568	1.0
227.10713	1.7
227.17874	3.1
229.19499	13.1
230.19853	1.1
233.18987	2.0
239.17953	0.9
241.19501	3.6
243.21133	3.9
245.11617	1.0
245.14287	0.8
247.20563	3.3
255.21027	7.4
257.22693	1.8
259.20572	1.7
265.85077	0.9
267.20972	1.0
269.07913	0.8
269.22580	1.5
273.12982	0.8
273.22122	2.9
281.22702	3.0
284.10202	1.5
287.00900	0.8
295.09543	1.5
307.09766	1.0
311.09100	9.7
312.09879	10.9
325.14325	1.9
327.12234	32.4
328.12537	4.3
351.15891	1.4
351.21542	1.0
351.30386	13.8
352.30832	1.4
369.13177	8.6
369.31497	100.0
370.13687	1.3
370.31760	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	369.3151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.5
53.88057	1.0
53.88327	0.9
55.05504	7.0
57.00283	0.8
57.03407	0.9
57.07076	1.5
61.50208	0.9
65.03915	1.5
67.05508	12.1
69.07067	8.7
70.59703	2.0
71.08633	1.0
79.05494	15.9
80.05841	0.8
81.07056	33.9
83.04975	1.6
83.08623	5.2
85.10124	1.0
88.23997	0.9
88.98834	0.7
91.05480	25.9
93.07047	30.7
95.04967	1.6
95.08606	32.9
96.08961	1.1
97.06535	1.3
97.10146	2.6
99.08105	2.1
100.30904	0.8
102.99280	0.9
105.07024	34.6
107.08595	35.1
108.08894	1.4
109.06500	1.2
109.09438	1.7
109.10153	18.4
111.04404	1.3
111.08075	1.7
111.11742	1.4
114.41037	1.0
117.06994	3.7
119.08575	31.2
120.08896	1.2
121.10137	26.0
123.11717	9.2
125.09658	1.0
125.97491	0.8
129.07002	1.2
131.08574	5.8
133.10132	23.2
135.11693	27.8
136.11864	1.1
137.13231	2.2
143.08517	1.4
144.09293	1.1
145.10109	12.9
147.11685	47.0
148.12032	2.6
149.09598	1.0
149.13258	11.9
151.11191	1.0
153.12715	2.4
157.10114	2.7
159.11681	9.9
161.13266	28.0
162.13612	1.0
163.14810	14.3
165.12743	1.9
171.11726	3.1
173.13237	9.2
175.14818	9.1
177.16400	3.3
179.14311	2.9
185.13287	2.9
187.14833	5.4
189.16402	10.5
191.14317	1.0
191.17944	7.7
197.13152	1.1
199.14809	3.2
201.16351	5.6
203.17931	7.0
204.18150	1.2
207.17453	4.9
213.16389	3.2
215.17935	11.3
216.18330	0.9
217.19556	4.1
227.12724	1.1
227.18005	3.7
229.19475	12.5
233.19022	1.0
241.19518	3.0
243.21036	3.4
247.20529	2.1
255.21046	4.8
257.22595	1.9
259.20618	2.0
273.22116	3.2
281.22720	1.9
351.30478	16.2
352.30814	1.6
369.31509	100.0
370.31860	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.2
55.05516	4.7
57.07081	2.3
60.04525	5.0
65.03941	2.3
67.05508	2.5
69.03428	0.3
69.07067	6.4
69.45826	1.2
70.07390	0.2
71.05026	0.2
71.08620	1.3
73.04745	0.5
77.47911	0.2
79.05505	0.9
81.07059	3.0
83.08622	4.6
84.04449	0.2
85.10187	0.7
87.81482	0.2
91.05480	100.0
92.05808	2.5
93.07056	1.2
95.08598	3.3
97.06536	0.3
97.10175	3.7
98.06020	0.2
105.07017	1.1
106.06573	1.7
107.08581	1.0
108.08119	10.1
109.08470	0.4
109.10152	1.6
111.08077	0.2
111.11741	1.2
117.07018	0.7
119.08596	0.8
121.10146	1.2
123.11719	0.8
125.13264	0.5
129.07056	0.2
131.08554	0.3
132.44980	0.2
133.10126	0.6
135.11679	0.5
137.09612	0.5
137.13261	0.3
139.14786	0.2
145.10173	0.3
147.11700	0.2
149.13231	0.4
159.11720	0.2
161.13298	0.2
163.14874	0.3
165.16357	0.3
173.09785	0.2
175.14766	0.3
176.10730	0.5
177.16411	0.4
179.17964	0.4
189.16309	0.3
190.12273	0.7
204.13765	0.8
209.19116	0.2
218.15419	0.8
230.24875	0.3
232.16972	0.5
235.13126	0.3
237.14830	0.3
245.22659	0.7
246.18568	0.5
255.53886	0.2
260.20160	0.3
263.23734	0.3
268.97900	0.5
272.20181	0.2
274.21643	0.6
278.24893	0.2
285.01038	0.7
286.21713	0.2
288.23123	0.3
293.28375	3.6
294.28989	0.2
300.23315	0.2
310.31149	1.1
334.81531	0.2
355.07019	0.5
370.31039	9.4
371.25836	0.7
371.31216	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0737
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06567	17.7
70.13608	48.7
73.04749	29.4
91.02699	12.2
91.05807	69.9
93.07027	12.5
101.06023	15.7
101.57469	12.6
129.05466	18.2
149.05978	16.0
167.07027	32.7
210.37950	12.1
227.08992	13.5
249.07310	44.8
268.97708	19.4
270.91168	12.5
285.00922	31.7
357.78760	14.2
371.07352	100.0
371.12152	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	371.0738
Annotation	Unknow
Peak:m/z	Relative Intensity
59.20978	24.4
69.03452	24.9
71.07686	39.9
71.12817	22.5
74.61442	21.9
78.66655	21.0
85.02905	49.8
135.31245	27.3
137.05980	28.8
149.27977	21.3
155.01961	25.8
162.48126	26.2
371.07462	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.3
53.70531	0.5
55.01862	1.0
55.05500	2.1
57.07059	2.6
57.67303	0.7
59.20763	0.6
63.48226	0.8
65.03920	1.1
66.04716	0.8
67.05488	2.6
69.07069	1.7
69.31728	5.6
70.06576	1.1
71.05013	0.8
71.08633	0.7
77.03906	1.1
78.04707	3.0
79.05487	33.4
81.07052	7.8
82.82033	0.7
83.08630	1.0
87.04462	0.9
88.07624	3.3
91.05457	3.9
92.62653	0.8
93.07039	3.1
94.04167	1.5
95.04960	5.5
95.08621	3.5
96.05719	0.8
97.10128	0.9
98.23297	1.4
99.37594	0.6
103.05426	0.8
105.03368	0.9
105.04488	2.6
105.07031	2.3
106.04174	1.8
107.04948	57.8
107.08538	1.6
108.05280	1.6
109.06541	1.0
109.10165	2.1
111.04420	1.0
111.08144	0.7
115.05452	20.4
119.08546	1.2
121.06506	2.2
121.10120	1.5
122.03638	2.5
123.04428	9.7
123.07952	0.8
124.05203	14.7
125.05987	6.2
131.08545	1.0
135.11646	2.5
137.05959	0.9
139.07588	1.0
143.04912	10.9
145.06482	1.6
145.10117	1.2
147.04413	2.7
147.11618	1.0
148.07536	1.0
149.05937	1.3
149.13263	1.1
151.03873	1.8
152.04706	4.6
156.05659	1.6
161.05988	4.4
167.07027	100.0
168.07372	3.1
171.04373	2.8
172.05113	0.7
173.05939	2.5
173.13228	0.9
181.04961	1.6
181.06462	0.7
187.04008	1.1
189.05412	2.8
189.07028	1.8
190.07712	0.8
191.03346	1.0
191.07030	1.6
193.08572	0.9
195.08002	0.9
199.04021	0.7
201.05676	0.7
202.07925	1.1
203.08543	1.2
205.06433	2.5
206.07217	1.6
207.06415	1.6
207.08113	1.1
211.07542	0.7
215.03352	2.1
217.04945	64.4
217.08516	4.5
218.05315	3.9
218.07100	1.1
219.08017	4.2
221.05980	0.9
221.09579	1.8
222.06683	1.0
224.08298	0.8
227.07077	1.6
228.04118	0.9
229.04887	0.8
233.05949	2.8
234.06767	1.6
235.07645	1.2
238.06245	1.9
239.06944	0.9
241.04581	0.8
246.06993	0.9
247.07613	5.5
249.05484	0.9
249.09004	1.9
250.06166	3.6
251.07002	3.3
252.07643	1.4
255.06419	0.6
261.07648	1.7
262.06000	1.0
262.28287	0.7
263.07074	2.1
264.07666	1.9
265.08527	3.0
267.06534	1.4
267.10199	0.8
269.08148	0.8
271.05939	1.9
275.06979	1.4
277.08524	1.6
278.05698	2.9
279.06473	4.6
279.09567	1.0
284.06509	0.8
286.08273	5.3
287.09048	2.4
292.07211	2.2
293.07980	6.4
294.08386	1.2
295.06128	1.4
295.09686	1.2
296.06772	1.1
299.09061	7.6
306.05255	1.1
307.05930	2.7
307.09613	1.7
309.11075	0.9
310.08344	1.7
311.08975	1.3
311.29407	0.7
312.09830	1.9
321.07544	2.8
323.05441	0.9
324.95117	0.8
325.10648	5.0
329.08469	2.2
335.09140	0.7
338.07745	1.3
339.08401	2.6
353.10156	9.5
354.10547	1.4
371.11203	13.8
371.25314	1.1
372.11420	1.3
372.34610	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36998	0.2
51.02395	0.3
53.03944	2.6
55.01875	1.2
55.05504	0.4
57.07067	0.5
65.03934	0.5
66.04712	0.3
67.05491	0.6
68.99776	0.3
69.03425	0.3
69.07062	0.4
69.22665	0.5
69.23061	2.1
71.08624	0.5
77.03919	0.7
78.04712	3.5
79.05490	25.7
79.98883	0.2
80.05821	0.6
81.03403	0.6
81.07056	3.7
83.08604	0.3
86.96414	0.2
89.12426	0.2
91.05478	6.3
93.07040	0.8
94.04204	1.6
95.04966	4.0
95.08595	0.8
96.05751	0.7
98.22604	0.7
103.05470	0.5
105.03386	1.4
105.04512	1.6
105.07024	2.2
106.04169	1.8
107.04951	49.2
107.08622	0.4
108.05238	1.4
108.08124	0.3
109.06533	1.3
109.10166	0.4
111.04418	0.3
111.08051	0.8
115.05452	8.0
117.07007	0.9
121.06483	1.1
121.10165	0.4
122.03622	1.9
123.04432	8.5
124.05211	10.2
125.06006	5.1
131.04930	0.6
133.06487	4.2
134.03613	0.7
135.04399	0.4
137.05969	1.2
139.07555	0.8
143.04924	2.8
145.06461	0.5
145.10101	0.3
146.03448	0.3
147.04391	2.7
148.07562	0.7
149.05966	1.3
151.03902	2.2
152.04674	5.9
152.08186	0.4
153.05400	0.5
155.04921	0.4
155.14766	0.3
156.05623	0.3
161.05971	19.1
162.06328	0.8
163.03853	0.4
167.07027	100.0
168.07362	4.9
171.04384	1.0
173.05969	2.4
175.04021	0.3
176.04684	0.4
176.06169	0.6
177.06909	0.5
178.07768	0.6
179.03238	0.3
179.08527	0.7
181.04950	0.6
181.06436	0.3
187.03848	0.6
189.05435	2.0
189.07047	1.2
190.07684	0.3
191.06992	0.8
191.08554	0.6
195.08037	0.5
198.18558	0.6
199.03868	0.7
199.18834	0.5
202.07755	0.3
203.08522	0.4
205.06520	1.2
206.07201	0.5
207.06511	0.9
207.08159	0.6
209.05991	0.5
210.06676	0.8
211.05847	0.3
211.07581	0.5
215.03345	2.0
217.04942	86.4
218.05315	5.5
218.07211	0.6
219.08055	2.1
221.05959	0.8
221.09679	0.4
222.06769	1.0
223.07454	1.1
224.08235	0.4
225.05479	0.4
227.06970	0.4
233.05908	1.0
234.06755	1.4
235.07639	2.0
236.08199	0.5
237.05508	0.7
237.09187	0.5
238.06215	2.0
239.07013	0.8
247.07539	2.6
248.08072	0.5
249.05423	0.7
249.09216	0.6
250.06229	3.2
251.06940	2.5
252.07732	0.7
261.05243	0.5
261.07721	0.4
262.06070	0.4
263.06964	1.9
264.07785	1.7
265.04929	0.5
265.08496	2.2
266.05740	0.5
266.09030	0.3
267.06400	1.0
267.10077	0.9
269.08081	0.3
275.06992	1.0
277.08466	0.6
278.05740	3.1
279.06491	5.0
280.07083	1.4
281.07788	0.4
284.06882	1.3
289.04883	0.4
291.06516	0.6
292.07254	1.2
293.08069	4.7
294.08636	0.8
295.05911	2.1
295.09598	2.2
296.06641	0.3
299.09119	14.8
300.09433	1.3
306.05145	0.7
306.42221	0.3
307.02637	0.5
307.06064	2.8
307.09344	0.5
308.06506	0.3
310.08368	1.5
311.09079	1.2
320.06808	0.3
321.07571	3.4
322.08115	0.6
323.05566	1.3
324.05881	0.4
325.10654	3.4
326.11111	0.5
338.07755	1.2
339.08524	2.4
353.10159	12.7
354.10272	1.0
371.11237	8.7
371.28912	0.8
372.11511	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32476	0.5
53.03936	3.3
55.01856	1.4
55.05501	2.6
57.03419	0.5
57.07076	1.3
61.45747	0.5
61.86184	0.6
65.03934	0.9
67.05500	3.0
68.99804	0.7
69.07061	2.4
69.22199	0.7
69.41322	4.0
77.03909	1.0
78.04698	4.3
79.05486	29.4
80.05795	0.5
81.07056	6.6
83.08610	1.9
83.57805	0.5
85.10189	0.5
85.38023	0.6
87.04448	1.5
88.07610	0.7
89.00900	0.6
91.05472	7.0
93.07016	1.6
94.04180	2.0
95.04966	4.6
95.08595	3.8
96.05769	0.6
97.10146	1.6
99.43050	0.6
103.05473	0.7
105.03368	1.8
105.04513	1.7
105.07019	3.7
106.04171	2.2
107.04946	50.1
107.08590	1.6
108.05276	1.6
109.02892	0.8
109.06506	1.5
109.10149	2.8
111.04470	0.7
111.08086	1.7
115.05444	9.8
117.06998	1.2
119.08597	1.2
121.06441	0.8
121.10130	2.0
122.03635	2.6
123.04427	10.5
123.11658	1.1
124.04388	1.0
124.05209	11.0
125.05995	5.6
125.09602	1.1
133.06511	3.9
133.10107	1.1
135.08014	1.0
135.11667	1.5
137.05983	0.9
139.07443	0.9
143.04893	2.6
145.06403	0.8
147.04359	2.7
147.11670	1.0
148.07515	0.7
149.05975	1.1
149.13295	1.1
151.03874	1.5
152.04698	5.7
156.05687	1.2
157.06511	0.8
157.10092	0.7
160.05183	1.1
161.05965	19.8
161.13162	0.6
162.06267	1.2
165.06993	0.9
167.07025	100.0
168.07323	3.5
171.04393	1.8
173.05959	3.7
175.03804	0.7
177.05452	0.9
178.07690	1.3
179.08557	0.7
181.04996	1.1
187.03812	0.9
189.05339	1.7
189.06938	1.3
189.11143	0.8
191.07045	1.2
200.04616	0.7
203.08592	0.9
205.06464	1.5
206.07224	0.7
207.06442	1.1
207.08153	0.8
209.05908	1.0
210.06784	1.1
211.07443	0.8
215.03355	2.2
217.04938	84.4
217.08469	3.3
218.05415	3.9
218.07207	1.4
219.08047	3.2
221.05965	0.9
223.07498	2.2
224.08194	1.0
227.06921	0.6
233.05777	0.7
234.06744	1.4
235.07613	1.9
237.05373	1.0
237.09149	0.8
238.06232	2.8
239.07037	0.9
246.06734	0.8
247.07631	3.2
248.08092	0.7
249.09067	1.1
250.06290	4.4
251.07014	2.3
252.07748	1.6
261.05264	0.8
261.07666	1.8
263.06961	2.4
264.07733	1.9
265.04822	1.1
265.08499	2.6
266.05804	0.7
267.06500	1.4
267.10040	0.7
271.05859	0.7
275.06906	1.1
277.08710	0.8
278.05643	2.7
279.06528	4.0
280.07065	1.8
282.08832	0.9
284.06644	2.4
286.08282	1.6
292.07379	1.5
293.08014	5.9
294.08359	1.6
295.05911	2.8
295.09613	2.1
296.09937	0.7
299.09106	14.4
300.09409	1.5
306.05264	0.9
307.05887	2.3
309.07581	0.7
310.08240	2.3
311.09012	1.1
312.09760	1.8
315.25226	0.7
321.07291	3.3
323.05450	1.6
325.10699	4.2
338.07684	1.6
339.08548	2.5
353.06192	1.4
353.10138	13.2
353.24454	0.8
354.10431	1.6
371.11206	10.6
371.25626	2.3
372.11340	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	0.4
51.02383	0.4
53.03941	4.3
55.01868	1.4
65.03936	1.0
66.04704	0.5
67.05507	0.7
69.25018	3.3
71.91145	0.4
77.03905	0.9
78.04713	5.3
78.28081	0.4
79.05489	30.1
80.05823	0.9
81.03422	0.8
81.07045	4.4
81.09584	0.4
91.05475	6.7
93.06997	0.5
94.04195	1.9
95.04961	4.8
96.05733	1.4
98.22581	0.9
103.05463	0.8
105.03389	1.5
105.04484	2.0
105.07021	2.7
106.04140	2.2
107.04948	58.7
108.05286	1.9
109.06519	1.5
115.05447	13.1
116.05828	0.5
117.06997	0.9
121.06522	1.2
122.03660	3.2
123.04426	10.7
124.05209	12.0
125.05992	3.7
131.04933	0.8
133.06476	4.1
134.03619	0.8
135.04405	0.8
137.05975	1.2
138.03119	0.5
139.07533	1.2
143.04903	3.6
144.68388	0.4
147.04420	2.5
149.05960	1.3
150.49045	0.5
151.03896	1.9
152.04678	7.3
155.16399	0.4
160.05205	0.8
161.05968	23.9
162.06337	1.1
167.07027	100.0
168.07364	3.8
171.04404	1.1
173.05931	3.4
178.07816	0.7
179.08568	0.6
181.04927	0.5
181.06412	0.6
187.03854	0.8
189.05450	1.4
189.06975	1.8
190.07811	0.5
191.03336	0.6
191.07018	0.8
191.08522	1.2
195.08034	0.8
197.06133	0.5
199.03983	0.7
204.05838	0.5
205.06473	1.8
206.07243	0.9
207.06503	1.2
207.08214	0.8
209.06046	0.5
210.06723	1.0
211.07674	0.5
215.03365	2.5
215.05072	0.4
217.04942	88.8
218.05266	4.9
218.07260	1.3
219.08151	2.0
221.05978	0.6
221.09482	0.5
222.06747	0.9
223.07483	1.1
233.05957	1.0
234.06793	1.3
235.07616	2.0
236.08249	0.7
237.05455	0.7
237.09003	0.7
238.06316	3.1
239.06763	0.6
244.13986	0.4
247.07495	3.5
249.05290	0.5
249.09186	0.7
250.06223	3.5
251.06992	2.4
252.07593	1.4
261.05209	0.6
261.07672	0.8
262.06192	0.4
263.06961	2.8
264.07782	1.9
265.05032	0.7
265.08521	2.1
266.05661	0.7
267.06436	1.0
267.10159	0.7
275.06924	1.3
277.08319	0.5
278.05765	3.8
279.06573	4.7
280.07129	1.1
281.07980	0.5
284.06711	1.7
292.07193	1.8
293.05627	0.4
293.08090	4.8
294.08310	0.7
295.05911	2.8
295.09616	2.1
296.06580	0.7
299.09128	13.8
300.09412	0.8
306.05246	0.7
307.06049	3.2
308.06360	0.4
309.11191	0.9
310.08337	2.3
311.08994	0.9
312.09784	0.4
321.07565	3.3
322.08176	0.9
323.05304	1.1
325.10657	3.6
338.07629	1.5
339.08508	2.1
353.10126	12.5
354.10455	1.5
371.11197	8.0
372.11282	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	12.9
65.03939	3.8
67.05500	4.7
69.03442	3.7
69.07040	2.6
71.08631	3.2
71.32462	3.4
71.32871	2.3
71.80463	2.3
79.05492	9.8
81.03432	3.5
81.07075	5.3
85.02909	3.6
91.05487	9.8
93.07055	5.6
95.04957	5.6
95.08593	4.3
101.06007	2.8
103.05476	5.4
105.07032	6.7
107.04967	13.9
107.08607	4.3
109.02930	3.6
111.04443	11.3
115.05451	3.3
117.07043	2.9
119.08572	2.5
121.06544	3.4
122.03728	2.6
123.04458	3.9
131.04901	6.3
131.08572	2.7
133.06496	5.2
135.04515	2.6
137.05942	20.1
139.03922	7.2
145.06502	4.7
147.04428	4.4
147.06522	3.1
147.08072	3.6
149.05942	3.9
151.03906	10.8
151.07550	2.4
153.05402	2.8
153.07039	3.0
156.05748	4.8
157.06386	3.4
159.08043	5.3
161.05983	7.1
161.09622	3.0
163.07611	4.1
165.05542	4.9
165.07016	7.5
166.07823	2.4
167.03412	2.9
167.07065	22.0
167.08382	4.6
172.05217	2.5
173.05952	4.6
174.06721	3.1
175.07529	3.4
177.05455	4.6
177.06938	2.5
178.07790	7.4
179.08435	3.2
181.05016	3.1
181.06497	6.3
187.07602	5.4
189.05472	9.0
189.06979	5.4
189.09145	4.0
190.07729	3.3
191.07016	3.1
193.06491	6.8
194.07280	11.3
195.08101	5.3
197.05966	2.9
201.05470	4.4
201.09000	2.3
203.06934	5.0
203.08615	3.2
205.06534	7.9
205.08365	2.8
206.07259	7.1
207.08063	8.9
208.08830	3.8
209.06001	3.6
209.09538	3.2
210.06773	6.9
211.07532	3.8
215.08685	3.2
217.08672	9.5
218.07309	7.1
219.08107	7.8
220.05255	5.2
221.05988	10.5
222.06749	12.0
223.07501	8.9
224.08330	6.1
225.09030	3.7
227.07004	4.1
232.08855	5.1
233.05962	5.7
233.09706	5.0
234.06775	14.0
235.07555	14.8
236.08376	5.9
237.05560	7.3
237.09100	10.0
238.06140	6.8
239.06995	6.2
240.07809	2.9
241.08562	5.2
247.07596	6.0
248.04672	3.7
248.08340	4.2
249.05486	10.0
249.09157	20.2
250.06239	9.9
250.09825	4.9
250.97694	2.2
251.07101	10.4
252.07829	15.5
253.08678	14.1
255.06639	5.6
256.07199	2.4
260.08130	2.6
261.09088	6.3
262.06290	4.9
262.09869	3.2
263.06970	15.2
264.07828	10.4
265.05054	7.8
265.08609	34.6
265.11438	3.7
266.05820	3.5
266.09341	17.1
267.06500	5.5
267.09964	4.1
269.08026	6.4
277.05270	2.8
277.08673	13.9
278.09433	5.2
279.06616	8.2
279.10275	6.5
280.07285	21.6
280.10547	3.6
281.08102	18.1
282.08792	4.3
285.07626	5.1
285.11044	4.5
289.08813	3.0
291.09906	2.7
292.07394	4.0
293.08072	24.3
293.11728	12.7
294.08743	4.7
295.06564	3.1
295.09534	13.2
296.07202	2.6
296.10504	13.3
297.07431	6.0
297.11285	3.7
300.09995	2.9
304.10608	2.7
306.08701	4.0
307.06119	4.2
307.09653	8.5
308.06635	3.8
309.07523	10.1
309.11020	4.5
310.08237	3.8
311.09396	2.9
311.12695	11.2
313.10773	7.6
321.07883	5.4
321.11215	11.3
322.08295	11.4
323.09091	39.5
324.09595	5.2
325.10791	8.2
339.08844	4.6
339.12244	100.0
340.09143	3.9
340.12936	12.4
341.10156	40.6
341.13925	3.6
342.10626	3.0
353.10187	7.3
353.13998	10.9
356.12512	2.7
371.11197	5.5
371.14886	71.1
371.19119	5.2
372.15192	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	371.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92884	2.1
53.03942	3.0
55.01882	2.9
55.05480	2.2
64.15401	2.4
69.03426	10.6
71.32080	2.5
71.32461	3.7
76.10528	2.1
79.05495	12.0
81.03431	4.0
81.07056	4.0
82.20995	3.1
85.02927	2.6
88.70940	2.1
91.05470	14.6
93.07050	6.6
94.04166	4.0
95.04939	4.0
99.59815	2.5
105.07058	6.5
107.04960	18.6
109.06514	5.7
111.04425	5.2
115.05461	6.7
116.06244	3.4
119.04922	3.5
121.06506	3.4
122.03628	8.2
123.04380	2.9
127.03900	4.1
128.06236	8.6
129.07008	13.8
131.04947	7.2
131.08562	15.2
137.05971	100.0
137.09637	2.5
138.06300	5.1
141.07022	7.4
144.05676	8.7
145.06491	4.2
147.04404	2.7
149.06010	3.6
149.09599	3.7
151.03883	3.4
151.07561	5.5
156.05681	34.6
157.06479	7.4
158.07265	3.7
159.04453	3.0
159.08058	23.9
160.98770	4.0
161.05933	4.1
161.09560	4.3
163.07632	3.1
163.11075	4.2
165.07063	2.6
167.07014	36.6
168.05978	2.9
169.06406	4.6
169.07686	2.8
173.05948	5.1
174.06674	6.0
175.07571	8.0
177.05496	4.2
178.07797	6.0
181.06436	3.3
182.15424	2.9
184.05232	3.3
186.06752	6.3
187.07556	18.1
189.05443	4.3
189.07033	6.4
189.09108	4.1
190.07745	6.1
191.07007	6.2
191.08569	4.7
193.08435	2.6
195.03052	4.6
195.08072	2.9
202.06227	12.7
202.07861	5.5
203.08574	8.1
204.07788	3.3
205.06758	4.7
205.08543	3.8
206.07228	7.3
207.08087	7.1
211.07535	3.3
215.06863	4.3
215.08656	6.1
217.08582	95.8
218.07246	16.6
218.08969	3.5
219.08054	19.3
219.10210	6.6
220.08652	3.6
221.05975	3.7
221.09651	11.3
223.07550	5.8
231.08060	11.3
232.08910	4.1
233.09421	14.9
233.11629	14.7
234.06621	11.8
235.07556	15.6
236.08347	5.5
237.09261	4.0
238.09769	3.1
239.07289	5.7
241.08661	9.2
246.06686	6.7
247.07481	9.4
247.09663	43.8
248.08217	7.0
249.09132	25.5
250.06238	3.7
250.09694	4.1
251.07048	10.3
251.10620	4.3
252.07822	8.2
253.08511	4.6
259.07535	3.6
260.08206	8.2
261.09094	24.7
262.06339	3.8
262.09793	2.6
263.07047	16.2
263.10669	5.7
264.07758	7.8
265.08636	4.2
266.09406	7.3
267.09869	4.0
269.08063	6.9
271.05646	2.6
275.07272	2.8
277.08554	21.4
278.09293	18.4
279.06754	4.1
279.10098	10.1
280.07080	5.2
281.08136	4.5
281.11679	9.1
283.09680	3.6
285.07529	19.2
289.08606	10.3
291.10110	3.6
292.07278	3.1
292.10791	3.3
293.08090	7.0
293.11734	16.1
295.09604	10.6
298.08435	3.8
300.09976	18.5
301.10669	10.3
306.08960	5.9
307.09540	15.5
308.06870	3.6
309.11246	19.8
311.09195	5.3
311.12723	6.3
313.10733	10.9
321.11148	24.0
322.11874	4.8
323.09137	7.7
325.10785	2.9
326.11444	10.7
338.11395	7.1
339.07336	5.6
339.12280	16.6
341.13831	13.4
353.13760	59.6
354.14182	5.3
371.14825	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1488
Annotation	Spiraformin B
Peak:m/z	Relative Intensity
53.03887	0.8
55.01810	1.1
55.05453	1.0
65.03852	0.8
67.05410	1.8
69.03358	1.3
69.06997	1.0
71.04928	0.8
71.32742	1.0
76.70748	0.7
79.05396	2.9
81.03316	3.3
81.06959	2.5
91.05463	3.3
93.06928	3.0
95.04899	1.4
95.08533	0.8
97.06423	1.0
103.05371	1.7
105.06936	1.8
107.04954	4.5
107.08498	1.0
109.06441	0.9
109.10099	0.9
111.04376	1.0
114.32485	0.7
115.05402	1.4
116.06138	0.7
119.04840	1.1
119.08463	1.2
121.02813	0.7
121.06362	0.9
121.10030	1.3
122.03555	1.2
123.04352	1.0
125.05888	0.7
127.03775	0.6
128.06195	0.8
129.05377	1.2
129.06868	2.4
131.04794	1.8
131.08452	1.7
131.11337	0.6
132.05602	1.2
135.04378	1.1
137.05968	15.1
141.06885	1.2
144.05600	1.3
145.06364	1.8
145.09993	0.9
146.06989	0.6
147.04295	1.2
147.07829	0.8
149.05881	1.1
149.09425	0.6
151.03789	2.0
151.07434	0.9
152.06026	0.9
153.06819	1.0
156.05687	3.7
157.06389	1.0
158.07207	1.2
159.04312	0.9
159.08043	3.2
159.11537	0.7
160.05061	1.0
161.05890	1.3
163.03842	1.4
163.11058	1.2
165.06967	2.8
166.07632	1.3
167.07050	7.9
167.08401	0.7
169.06438	0.9
173.05887	0.9
174.06638	1.2
175.07434	2.6
177.05392	1.4
178.07736	4.9
179.08417	2.2
181.04887	1.1
181.06378	3.2
182.06905	1.0
184.05168	1.0
187.07497	3.4
189.06898	1.4
189.09013	1.8
190.07642	2.3
191.03334	0.9
191.06874	0.7
191.08423	1.7
191.10497	1.1
193.06453	1.5
194.07286	3.5
195.08014	3.0
196.08525	0.7
197.06015	0.9
198.06656	1.0
201.05434	0.7
201.09050	1.2
202.06111	1.7
202.07709	2.0
203.08455	2.3
205.06363	2.7
205.08287	1.2
205.10060	0.8
206.07239	4.7
207.08060	5.6
208.08646	1.9
209.05956	2.9
209.09464	2.0
210.06728	1.1
211.07358	1.1
215.08434	2.3
217.06653	1.2
217.08571	9.9
218.07240	3.5
218.08980	0.8
219.07959	3.9
219.09981	1.4
220.08659	1.7
221.05989	3.6
221.09506	2.7
222.06689	5.5
223.07454	4.4
224.04767	0.7
224.08258	4.0
225.05394	0.7
225.09056	1.5
226.06264	1.3
227.84367	0.6
231.08072	3.2
232.08723	2.2
233.05913	1.4
233.09604	4.3
234.06712	5.2
234.10239	1.2
235.07512	8.1
236.08264	5.9
237.05606	3.0
237.09021	5.1
238.06290	0.7
238.09639	1.1
239.06993	3.4
240.07771	1.5
241.08545	2.7
246.06693	1.7
247.07394	2.2
247.09618	4.4
248.08113	2.3
249.05307	2.4
249.09109	15.9
250.06268	3.8
250.09785	4.8
251.06999	6.0
251.10620	1.8
252.07806	13.9
253.08498	4.1
256.07266	0.8
259.07474	1.1
260.08286	1.9
261.09082	6.2
262.06406	1.2
262.09790	1.2
263.06979	6.0
263.10394	1.3
264.07724	5.5
265.04993	2.6
265.08557	20.5
265.11548	1.0
266.05911	1.2
266.09323	12.7
267.06497	1.5
267.09964	3.6
269.08075	3.1
275.06888	0.9
275.10699	1.0
276.07724	0.9
277.08572	7.5
278.09317	4.7
279.06400	3.1
279.09952	2.4
280.07294	14.1
280.10461	0.6
281.07944	7.5
281.11295	1.1
282.08505	1.2
283.09589	0.9
283.13287	0.7
285.07562	3.6
286.08206	1.0
288.07715	0.8
289.08441	1.4
291.06586	0.8
291.10080	1.0
292.07324	1.0
292.10825	1.2
293.08026	3.6
293.11652	14.6
294.08768	2.4
294.11948	1.3
295.09576	6.3
296.10437	12.1
297.10925	1.7
300.09882	4.3
301.10605	2.1
306.08688	1.2
307.09558	2.4
309.07916	0.8
309.11127	3.9
310.11829	2.0
311.09155	1.6
311.12659	11.5
312.09744	0.9
312.13159	1.0
313.10678	3.5
321.11176	11.9
322.11682	1.7
323.09088	3.0
324.09808	2.9
325.10474	1.5
326.11478	2.6
327.12274	1.3
332.59311	0.7
338.11343	1.3
339.12241	100.0
340.12704	15.1
341.10165	1.0
341.13834	2.6
353.13751	7.6
354.14212	1.4
356.12503	0.9
371.14886	40.1
372.15207	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1489
Annotation	Spiraformin B
Peak:m/z	Relative Intensity
53.03943	2.4
55.01875	1.9
55.05510	1.4
57.03435	0.9
59.05006	1.1
65.03936	0.6
67.05497	2.2
69.03422	5.4
69.05698	4.8
69.07073	2.6
70.90216	0.5
71.05003	1.9
77.84719	0.4
79.05502	4.0
81.03418	24.3
81.07056	4.9
83.04970	0.9
85.02909	1.9
85.06548	1.3
91.05480	3.4
93.07040	11.1
95.04989	1.2
95.08613	2.0
97.02909	0.6
97.06541	1.8
98.22575	0.7
99.04457	2.6
103.05495	0.6
105.07028	4.8
105.07666	0.6
107.04955	1.7
107.08593	6.1
109.02878	9.8
109.06516	2.1
109.10158	0.4
111.04441	0.5
111.08065	2.5
115.05450	0.8
117.07027	0.6
119.04950	1.0
119.08595	2.0
121.06491	3.4
121.10147	5.4
121.10908	0.7
123.04411	0.6
123.08065	1.0
127.03915	7.1
127.07462	0.6
128.06258	0.5
129.07011	0.8
130.07802	0.5
131.04951	1.4
131.08528	0.8
133.06511	0.7
133.10141	0.5
135.08098	1.5
135.11687	1.4
137.05980	1.3
139.11160	0.6
145.06520	1.1
145.10124	4.2
147.04410	1.9
147.11678	0.9
149.09628	3.7
151.03983	0.6
151.07544	1.0
153.07071	0.6
159.07909	0.6
163.11185	8.9
164.08203	0.4
164.11533	0.4
165.07028	1.9
166.07785	1.0
167.07068	1.1
167.08513	0.7
167.10675	6.1
169.08632	3.6
173.09663	1.1
175.03893	0.5
175.07613	0.6
178.07817	2.6
179.08592	1.9
180.09210	0.5
181.05075	0.6
181.06412	2.6
181.12221	2.5
182.07103	0.5
185.11731	0.8
189.07001	1.5
190.07738	0.6
191.08595	1.4
191.10686	5.7
192.05710	0.8
193.06467	1.0
194.07310	3.4
195.07970	2.3
196.08737	0.7
202.07784	1.1
203.08635	0.8
204.05734	0.5
205.06473	1.8
206.07243	3.4
207.08070	3.8
208.08632	1.3
209.06015	2.5
209.09668	1.7
209.11751	2.5
210.06740	0.8
211.07501	0.9
215.08546	0.6
218.07318	1.7
219.08076	2.2
220.05212	0.6
220.08731	0.7
221.05978	4.4
221.09596	1.5
222.06746	5.2
222.10388	0.8
223.07434	3.4
224.08334	3.1
225.09143	0.7
227.12723	2.7
231.08047	1.3
232.08839	1.5
232.33057	0.5
233.06006	1.1
233.09601	1.3
234.06766	4.5
234.10352	1.0
235.07547	6.0
236.08318	4.2
237.05482	3.0
237.09027	3.5
238.06197	1.4
238.09840	0.6
239.07097	1.1
239.10736	0.6
240.07759	0.7
244.08893	0.7
245.09790	0.5
247.07605	1.5
248.08409	1.2
249.05492	1.5
249.09077	12.4
250.06300	4.9
250.09784	3.8
251.07054	4.7
251.10442	0.8
252.07811	13.3
253.08516	4.1
260.08249	1.5
261.09171	1.8
263.06998	4.0
264.07800	5.3
265.05106	2.6
265.08594	18.8
265.11676	0.9
266.09335	12.8
267.10049	2.0
275.10571	0.9
277.08609	5.0
278.06113	0.4
278.09320	2.6
279.06567	1.5
279.10223	1.3
280.07309	13.0
280.10757	1.3
281.08051	5.9
282.09097	0.6
283.09647	0.6
292.11044	0.5
293.08105	2.0
293.11728	10.6
294.08871	1.9
294.11905	1.0
295.09634	4.6
296.10400	10.0
297.07782	0.5
297.11145	1.3
306.08951	1.1
307.09576	0.9
309.11276	2.3
310.11978	1.3
311.12646	9.7
312.09933	0.8
313.10565	0.8
321.11194	6.2
322.11588	0.8
324.09961	2.1
325.10675	1.9
339.12256	100.0
340.12726	13.2
353.15964	1.8
356.12466	0.6
371.14764	28.6
372.15088	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	371.1488
Annotation	Bursehernin
Peak:m/z	Relative Intensity
51.62888	0.8
53.03941	1.4
55.01870	1.0
55.05495	1.6
55.33905	0.8
57.03427	1.2
60.83213	0.9
65.03932	1.5
65.65558	0.8
67.05498	3.8
69.03425	3.0
69.07065	3.3
69.07827	8.1
71.04992	2.1
79.05491	3.5
81.03417	8.8
81.07050	5.0
83.04997	1.3
83.08601	1.7
85.02905	1.7
85.06570	0.8
91.05475	6.5
93.07034	5.7
95.04965	2.7
95.08602	3.8
97.02872	0.9
97.06526	0.9
99.04457	3.2
103.05473	3.0
105.04517	1.1
105.07007	4.2
107.04945	2.3
107.08598	4.7
109.02876	3.4
109.06518	2.5
109.10105	1.5
111.04432	0.9
111.08060	2.1
114.57021	0.8
115.05451	2.7
117.07017	7.2
119.04955	1.4
119.08610	2.2
121.06494	2.9
121.10133	3.6
121.31033	0.9
122.03673	2.0
123.04417	1.3
125.09591	1.1
127.03926	2.0
127.99277	0.9
128.06236	2.6
129.07001	10.3
130.19844	0.9
131.04950	1.6
131.08575	3.0
132.58345	0.8
133.06494	1.4
133.10097	0.9
135.04414	1.2
135.08083	0.9
135.11673	1.4
137.05956	9.9
140.32010	0.9
141.05476	1.4
141.07004	0.9
143.08551	1.4
144.05725	2.0
145.06485	14.3
145.10088	2.1
146.07196	1.9
147.04372	1.3
147.11734	1.1
148.05206	1.1
149.05939	4.0
149.09630	2.1
151.03905	41.9
151.04991	3.1
151.07539	13.1
152.04245	1.5
155.05962	1.2
155.07063	0.9
157.06482	10.3
158.07300	2.8
159.04355	0.9
159.08041	11.7
160.08859	4.1
161.05989	3.6
161.09596	1.2
162.06779	3.4
163.07513	5.1
163.11224	4.1
165.05466	24.6
165.06604	1.2
165.09116	3.5
166.05814	1.1
167.07042	2.3
167.10686	2.6
169.08659	1.6
171.08089	1.5
172.08861	4.2
173.05963	15.3
173.09555	1.6
174.06741	5.0
175.03772	0.9
175.07524	4.1
177.05406	1.2
177.09030	5.2
181.08568	1.0
186.06735	1.7
187.07535	8.3
188.08310	10.5
189.05510	1.9
189.09113	11.4
190.06241	10.6
191.06984	2.3
191.08939	1.7
191.10620	12.0
201.05472	2.8
201.09181	4.4
202.09869	1.9
203.08751	1.7
203.10651	12.3
204.07750	4.7
205.08586	18.3
206.09061	1.6
207.08061	2.2
209.09682	1.1
215.06952	4.6
217.08585	1.3
218.05641	2.4
218.07452	1.2
219.08063	2.0
219.10100	15.5
219.12091	1.2
221.09602	2.5
224.08257	0.9
227.12726	1.1
229.08615	2.6
231.08028	1.0
232.07233	2.9
233.08043	66.4
234.08397	2.9
234.10431	1.8
235.07491	5.4
236.07942	1.2
237.09013	1.3
239.10562	1.4
247.07524	2.0
247.09636	48.5
248.10213	1.9
249.09087	5.6
250.09851	2.0
251.10675	3.0
252.07808	1.6
253.08684	1.2
254.09299	1.0
255.10231	1.3
261.09103	2.7
262.09732	2.3
263.07019	2.9
263.10577	1.6
264.07794	1.9
264.11462	1.9
265.08582	2.6
265.12274	3.4
266.09305	2.6
267.10162	7.7
267.13531	1.4
268.10971	1.3
277.08609	2.1
278.09323	3.5
279.09952	7.7
280.07251	1.5
280.10861	1.3
281.08685	0.9
281.11691	4.8
282.08719	1.0
282.12427	1.9
283.09705	2.0
292.10925	2.9
293.11630	8.0
294.12485	6.5
295.09647	11.0
295.13248	4.7
296.10297	1.8
296.13785	1.9
297.11145	1.0
298.12021	2.1
299.09042	1.2
309.11438	0.8
310.08969	1.0
310.11981	22.8
311.12537	4.6
311.35019	1.1
312.13382	1.9
314.11267	1.4
321.11142	2.6
325.14322	100.0
326.14728	10.5
327.15942	4.2
328.16559	1.0
339.12396	6.3
340.41229	0.9
343.15393	12.7
353.10056	1.4
353.13947	3.6
371.14850	44.3
372.15198	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1491
Annotation	Spiraformin B
Peak:m/z	Relative Intensity
50.95398	0.4
53.03990	1.0
55.01929	1.0
57.03480	0.6
67.05557	1.0
69.03495	2.5
69.07129	1.2
69.23967	3.3
71.05042	0.5
72.74757	0.4
75.44881	0.4
78.56080	0.4
79.05578	1.4
81.03417	8.5
81.07129	1.8
83.05041	0.5
85.03006	1.3
85.06583	0.4
91.05578	2.0
93.07032	4.9
95.05050	0.9
95.08659	0.8
97.02982	0.4
97.06602	0.8
98.23289	0.8
99.04543	1.3
103.05573	0.5
105.07029	2.1
107.05054	1.8
107.08605	2.9
109.02862	3.3
109.06611	1.4
109.10258	0.6
111.08144	0.7
115.05575	0.5
117.07117	0.6
119.05007	1.0
119.08674	0.7
121.06615	1.5
121.10126	2.3
121.32940	0.4
123.04506	0.8
127.03898	2.6
129.07037	0.4
131.04996	1.4
131.08597	0.8
133.06592	0.5
133.10210	0.4
135.08151	0.5
135.11755	1.1
137.05965	2.8
144.05807	0.5
145.06584	0.8
145.10237	1.6
146.07254	0.5
147.04465	1.0
149.06097	0.7
149.09615	2.1
151.03990	1.1
151.07619	0.5
152.06244	0.5
153.06990	0.7
162.06827	0.5
163.07742	0.4
163.11176	3.7
165.05849	0.4
165.07115	1.7
166.07860	1.2
167.07146	1.3
167.08609	0.5
167.10669	2.1
169.08690	1.2
173.09711	0.5
175.07597	0.5
177.05586	0.7
178.07764	2.6
179.08646	1.8
181.06480	2.1
181.10161	0.6
181.12292	1.4
189.07135	1.1
189.09065	0.5
190.07916	1.1
191.08644	1.2
191.10794	3.5
191.14470	0.4
192.05913	0.6
193.06610	0.7
194.07265	3.3
195.08035	2.7
196.08989	1.2
197.06044	0.8
202.07886	1.0
203.08719	0.5
205.06488	2.2
205.10199	1.1
206.07294	3.1
207.08121	2.9
208.08878	1.1
209.06096	1.6
209.09738	1.2
209.11697	0.8
209.15421	0.6
210.06889	0.9
211.07588	0.7
215.08626	1.2
217.08723	0.8
218.07274	1.9
219.08125	2.4
219.10184	1.2
220.05299	0.5
220.08797	0.6
221.06007	2.8
221.09688	1.3
222.06738	4.9
222.10411	0.7
223.07465	4.3
224.08324	3.2
225.09137	1.2
227.12872	1.1
231.08154	0.9
232.08867	1.7
233.06084	1.1
233.09671	1.9
234.06798	4.2
234.10378	0.9
235.07553	5.9
235.09773	0.4
236.08286	5.0
237.05496	3.4
237.09068	4.1
238.06186	1.0
238.09827	1.2
239.06958	0.9
239.10638	0.8
240.07909	0.9
241.08743	0.6
243.08092	0.5
247.07608	1.4
248.08423	1.7
249.05522	1.3
249.09094	13.3
250.06259	4.0
250.09808	3.4
250.12262	0.9
251.07013	4.2
251.10677	0.7
252.07782	11.5
252.10330	0.6
253.08551	3.2
260.08337	1.1
261.09122	2.1
262.09851	0.5
263.07013	3.8
263.10629	0.5
264.07791	5.4
265.05103	2.2
265.08563	17.2
265.11801	0.8
266.06061	0.8
266.09311	10.8
266.12177	0.5
267.06674	1.0
267.10107	2.6
269.08090	0.7
275.10703	0.8
277.08597	4.2
278.09464	2.4
279.06583	1.8
279.10071	1.1
280.07303	12.1
280.10782	1.1
281.08038	7.3
282.08545	1.3
283.09891	0.5
283.13327	0.6
291.06619	0.7
292.07468	0.6
292.10931	0.8
293.08133	2.8
293.11740	11.5
294.08844	1.7
294.12149	1.1
295.09613	5.1
296.10394	9.9
297.11057	1.2
300.15863	1.6
306.08890	0.6
307.09567	0.9
309.11078	2.7
309.17017	0.7
310.11978	1.8
311.09308	0.7
311.12686	10.7
312.09857	0.7
312.13077	0.9
313.10535	1.0
321.11179	7.6
322.11588	0.8
323.09088	0.6
324.09946	1.9
325.10678	1.9
327.12119	0.8
339.12259	100.0
340.12741	13.2
341.13571	0.4
353.13818	0.8
356.12573	1.1
371.14850	34.0
372.18759	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	371.17
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	9.7
55.01874	6.3
55.05515	6.1
57.03429	5.8
61.02927	1.2
65.03949	1.1
67.05503	6.4
69.03427	29.1
69.07064	10.7
70.17898	3.1
71.04990	9.1
73.02882	1.1
79.05494	16.5
81.03417	100.0
81.07058	21.8
82.03751	2.7
83.04977	3.9
83.08622	1.8
85.02905	14.2
85.06545	4.1
91.05472	12.2
93.07042	48.9
94.07372	1.9
95.04970	6.7
95.08607	6.7
97.02904	5.4
97.06521	7.4
99.04450	15.3
103.05485	1.6
105.04536	1.5
105.07030	18.6
107.04959	2.5
107.08592	29.3
108.08910	1.5
109.02879	39.2
109.06514	14.2
109.10146	2.4
111.08076	11.3
113.05997	1.2
117.07029	3.2
119.04932	1.9
119.08556	6.9
121.06516	10.2
121.10140	23.6
122.10444	1.5
123.04502	1.2
123.08084	4.1
125.09628	1.1
127.03910	30.4
127.07584	3.0
129.05469	1.0
130.07817	1.7
131.08539	3.4
133.06485	1.7
133.10094	1.4
135.08092	3.9
135.11694	8.0
135.79593	0.9
137.05975	4.2
137.09608	1.9
139.07567	1.6
139.11198	3.5
143.08594	1.3
145.10132	18.2
146.10541	1.3
147.04407	2.0
147.08046	1.4
147.11691	3.1
149.05949	1.6
149.09610	21.5
151.07567	3.8
158.07280	1.4
163.11182	47.7
164.11601	1.7
165.09106	1.7
165.12753	1.6
167.07072	4.4
167.10689	30.4
168.11044	1.5
169.04996	1.1
169.08601	16.7
173.09610	3.6
175.07542	1.8
181.08621	1.3
181.12234	12.3
185.11685	2.4
187.06046	3.6
187.07576	1.2
189.09160	1.5
191.10667	29.3
191.14345	2.6
192.10976	1.9
201.07655	1.5
203.05305	1.9
209.11736	13.3
209.15308	2.8
217.08578	1.7
227.09048	1.0
227.12746	12.7
228.13019	1.5
309.16995	3.6
311.14883	6.5
313.12823	2.0
335.14685	1.1
339.12296	2.4
341.97565	1.0
353.16141	8.7
371.17056	24.4
372.17270	2.0
389.66547	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	13.6
55.01866	4.9
55.05506	8.0
57.03426	3.8
57.07083	1.8
61.02924	1.6
63.54268	0.8
63.92123	0.9
67.05503	10.4
69.03429	31.4
69.03803	1.7
69.07071	13.5
69.76618	0.9
71.04993	9.5
73.02930	1.4
79.05492	16.3
81.03416	100.0
81.07053	23.3
82.03762	2.3
82.07359	0.9
83.04974	6.2
83.08612	2.9
85.02906	18.3
85.03411	1.3
85.06534	5.5
87.04446	1.4
88.45483	0.9
91.05474	12.8
93.07043	52.5
94.07375	2.3
95.04969	23.2
95.05533	1.8
95.08582	8.5
97.02898	6.5
97.06538	8.8
97.10148	1.0
99.04449	16.3
100.11261	2.2
101.06020	1.2
103.05509	1.4
105.07030	23.3
106.07352	1.4
107.04973	2.3
107.08592	31.4
108.08929	1.3
109.02879	42.0
109.06515	14.2
109.10161	3.9
111.04442	2.0
111.08072	13.6
113.06022	2.3
115.05469	1.2
117.07014	2.7
119.08585	9.0
121.06519	11.1
121.10144	27.6
121.10995	1.9
123.04436	1.7
123.08083	5.0
125.05969	1.6
125.09630	1.4
127.03919	37.4
127.07577	2.9
131.08582	6.5
133.06465	1.0
133.10165	2.1
135.08047	7.3
135.11684	7.3
137.05980	3.2
137.09625	3.7
139.07559	1.3
139.11160	3.9
143.08585	1.4
145.04935	2.2
145.10123	17.4
146.10448	1.6
146.89877	1.1
147.04384	1.2
147.08051	1.0
147.11693	3.9
149.05986	1.8
149.09615	25.7
149.13200	1.2
151.03943	1.5
151.07553	3.1
151.11165	3.5
153.09099	6.5
161.09634	1.8
163.11186	44.1
164.11528	2.3
165.09203	1.0
165.12807	1.1
167.07050	3.5
167.10670	32.1
168.11038	1.4
169.08607	16.3
173.09616	4.6
174.06808	0.9
175.07509	1.5
177.05441	1.0
181.12238	13.6
181.45061	0.9
185.11723	4.3
187.06041	2.3
187.07535	1.3
191.10677	25.8
191.14330	4.9
192.10934	1.9
207.06483	4.4
208.06862	3.0
209.07155	5.0
209.11731	12.7
209.15315	9.1
213.02600	0.8
217.08594	1.6
219.10190	1.2
227.08926	1.1
227.12775	12.7
235.07591	1.1
249.09076	1.5
309.17029	3.0
311.15051	4.9
339.12180	1.8
353.16287	8.0
354.16257	1.5
371.17148	20.4
371.21533	1.1
372.17633	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	371.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.9
53.03944	12.4
53.32336	0.8
55.01864	4.5
55.05512	5.8
57.03437	2.8
60.14939	0.8
63.33215	0.9
64.83631	0.7
65.03945	1.3
67.05498	8.2
69.03429	27.1
69.07066	9.6
69.53616	3.0
69.54027	1.7
69.64255	0.8
70.96123	0.9
71.01728	0.9
71.04993	7.4
73.02950	1.0
75.43620	0.8
77.47336	0.7
79.05486	15.2
81.03413	100.0
81.07054	20.7
81.07504	1.6
82.03737	1.8
83.04984	3.7
85.02903	11.6
85.06551	2.8
91.04948	1.2
91.05476	12.0
93.07040	49.0
94.07384	1.1
95.04967	5.4
95.08608	6.7
97.02876	4.3
97.06528	6.6
99.04457	15.2
103.05474	2.4
105.07027	17.5
107.04962	4.1
107.08584	28.0
108.08967	1.0
109.02874	37.8
109.06525	12.5
109.10146	1.3
110.03172	1.1
111.04445	0.9
111.08073	12.8
113.06039	1.2
115.05465	1.0
116.19063	1.0
117.07037	2.9
119.08578	8.1
121.06500	9.2
121.09265	1.3
121.10136	23.0
121.10979	1.4
122.10490	1.2
123.08068	3.3
125.06013	1.4
127.03914	31.9
127.07563	3.6
128.04305	0.9
128.06250	0.8
129.07014	1.4
130.07799	2.2
131.08574	3.1
133.06517	0.9
133.10141	2.1
134.26387	0.8
135.04395	1.7
135.08064	6.3
135.11685	7.5
137.05943	4.0
137.09630	2.3
139.11197	2.5
140.11449	0.8
145.05008	1.6
145.06421	1.2
145.10112	15.8
146.96524	0.8
147.04419	1.9
147.11702	3.0
149.05984	2.2
149.09605	20.6
151.03894	1.3
151.07515	5.0
153.09094	1.2
163.07571	2.1
163.11172	41.2
164.11530	1.5
165.05502	1.6
165.09201	0.9
167.07066	2.2
167.10677	29.1
168.11053	1.7
169.08606	17.6
173.09657	3.8
175.07590	1.4
177.05534	1.2
177.09087	1.0
178.09856	4.0
181.05003	1.1
181.12225	9.6
185.11758	2.3
187.06000	1.8
189.29945	0.9
191.07033	1.2
191.10660	25.6
192.11003	2.1
193.04993	1.2
195.08125	0.9
207.06488	2.4
209.11726	10.3
217.08675	2.1
217.31479	0.8
218.07254	1.6
219.10081	1.4
223.07516	1.0
227.12770	12.2
233.09799	1.1
234.06758	1.0
235.07498	1.8
248.08289	0.9
249.09157	3.4
251.07126	1.4
252.07968	1.1
261.08942	1.6
263.07263	1.2
265.08710	3.4
266.09341	1.9
277.08533	1.9
278.09167	1.2
280.07272	2.6
293.11563	1.5
295.09515	1.1
296.10400	1.6
309.11221	1.1
309.16995	3.7
311.15277	4.0
313.13058	2.1
321.11252	1.6
335.14981	1.1
339.12280	14.4
340.12677	1.7
353.16156	7.1
371.16632	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	371.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.8
53.03941	8.0
55.01873	4.4
55.05509	5.5
57.03440	4.0
65.03932	1.5
67.05505	6.4
69.00558	0.8
69.03429	26.4
69.07066	11.0
71.04994	6.2
73.02930	1.0
79.05491	13.7
81.03416	100.0
81.07050	19.9
82.03772	1.4
83.04978	3.6
83.08608	1.4
85.02903	11.4
85.06553	2.6
91.05482	11.2
93.07043	43.8
95.04971	3.2
95.08604	6.6
97.02903	3.8
97.06522	7.1
99.04462	12.2
103.05449	1.0
105.07028	18.0
107.04971	2.4
107.08595	24.9
109.02877	40.8
109.06526	11.6
109.07232	1.3
109.10157	2.8
111.04453	1.5
111.08085	10.2
113.06028	1.9
115.05376	1.6
117.07005	2.9
119.04996	1.2
119.08579	6.3
121.06495	9.9
121.10145	22.3
123.04375	1.2
123.08065	3.2
125.06020	2.1
127.03912	30.8
127.07569	2.8
129.07001	1.7
130.07785	1.1
131.08563	3.7
133.06465	0.9
133.10048	0.9
135.04427	1.6
135.08029	7.2
135.11682	7.1
137.05997	3.3
137.09654	2.0
139.07520	1.3
139.11179	4.3
143.08511	2.0
145.04924	1.0
145.10130	14.2
147.04469	1.8
147.08017	1.6
147.11713	3.5
149.09622	17.9
151.03874	1.8
151.07536	2.1
153.05508	1.3
153.09100	1.0
163.11183	32.4
163.14844	1.1
164.11533	1.3
165.01764	1.0
165.05638	0.8
165.09151	1.2
167.07059	2.2
167.10678	26.0
169.04976	1.2
169.08592	17.0
173.09613	3.4
173.61708	0.9
175.07562	1.3
181.12242	8.6
185.11746	2.5
187.06097	1.5
187.07591	2.0
189.09062	1.9
191.10661	22.4
191.12415	1.3
191.14316	1.2
192.10905	1.3
202.27611	0.9
205.08624	0.8
209.11713	10.3
209.15250	0.7
213.07564	1.2
217.08493	1.2
218.07214	0.9
219.10023	1.0
227.12758	11.0
233.09653	0.9
235.07463	1.1
247.09879	0.9
249.09163	2.1
252.08017	1.2
253.10944	1.0
265.08514	1.3
266.09262	1.2
281.08142	1.7
281.11539	0.8
293.11298	1.1
307.09860	1.3
309.11237	1.6
309.16962	3.6
311.09045	3.2
311.15057	4.1
313.12708	1.2
315.12491	0.9
323.08963	0.9
339.12234	5.6
340.12924	1.0
353.16165	7.4
371.17343	12.2
371.24292	1.2
372.17340	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	11.4
54.49167	0.9
55.01878	4.2
55.05510	6.2
57.03446	4.7
57.07097	1.2
61.02928	1.4
61.24799	0.8
63.24697	0.9
65.03917	1.5
65.56892	0.8
67.05502	7.6
69.03426	29.7
69.07068	13.1
69.52609	3.5
69.53027	2.2
71.04986	7.9
79.05494	14.1
81.03416	100.0
81.07056	18.8
82.03754	3.0
83.04975	3.9
83.08623	1.4
85.02902	14.4
85.06539	2.5
91.05470	12.3
92.05780	0.8
93.07043	45.6
94.07381	1.9
95.04970	5.7
95.08598	7.3
97.02894	6.2
97.05999	1.2
97.06518	6.9
99.04457	12.5
101.06103	1.1
103.05461	3.5
105.04509	0.9
105.07027	19.2
107.04980	3.2
107.08595	27.6
109.00008	0.8
109.02876	36.7
109.06509	12.4
109.10161	2.5
110.03174	1.6
111.04469	1.4
111.08073	11.2
111.11767	1.1
117.07005	2.6
119.04947	1.4
119.08576	8.7
120.27416	1.0
121.06510	11.2
121.10146	24.4
122.07012	0.9
123.04396	1.7
123.08066	4.7
123.11727	1.0
125.05987	1.2
127.03909	28.6
127.07587	2.6
128.04245	1.1
129.07013	1.8
130.07744	1.8
131.04901	1.6
131.08586	4.6
133.06532	0.9
133.10144	2.5
135.08034	7.3
135.11690	6.8
137.05998	4.3
137.09662	2.7
139.07559	1.2
139.11223	3.5
143.08591	2.1
144.05638	1.2
145.04948	4.6
145.06430	1.1
145.10112	15.9
147.04399	2.6
147.08060	1.9
147.11700	4.3
149.05943	1.5
149.09619	18.1
150.09946	1.0
151.03885	2.5
151.07576	3.0
155.08514	1.0
159.07985	2.1
161.06003	1.0
161.09727	1.1
163.07491	1.7
163.11179	37.7
164.11546	2.3
165.05460	0.9
165.06924	1.3
165.12790	5.4
167.07082	2.8
167.10672	24.4
169.08598	15.2
169.09998	1.2
173.09654	3.9
173.13222	1.1
175.07527	1.9
181.04926	1.8
181.12248	10.6
183.08086	1.1
185.11728	1.9
185.13295	1.0
187.06133	2.0
189.09175	1.7
191.10669	24.4
191.14296	9.5
192.11081	1.9
205.08791	1.2
207.10104	1.3
209.11739	10.4
209.15353	2.3
213.07405	1.0
217.08589	1.3
219.08246	1.1
219.10117	1.3
227.12767	11.3
249.09207	1.5
251.06923	1.4
267.10303	1.3
278.09436	1.3
293.11569	1.4
295.09637	1.1
309.16986	3.8
311.09232	1.6
311.14975	4.0
321.11298	1.8
327.12250	1.4
338.16931	1.0
339.12292	3.4
343.15482	1.5
353.16507	5.3
371.10938	2.2
371.17114	13.1
371.21008	1.0
389.18158	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
55.01861	0.7
57.03427	1.3
60.46304	0.6
64.68328	0.5
66.04720	1.2
67.05495	1.2
69.03450	0.6
69.07030	0.8
69.56115	1.1
69.56527	2.2
75.04462	0.5
77.03931	0.6
79.05488	7.5
80.19035	0.5
81.07048	2.5
82.07394	0.6
89.97707	0.5
90.04704	0.8
91.05459	5.7
92.06207	0.6
93.07036	2.3
94.04177	0.7
95.04974	2.1
95.08593	2.1
98.22652	0.8
103.05458	8.8
103.69833	0.5
104.06297	0.8
105.04506	0.7
105.07026	17.1
106.07363	0.6
107.04962	5.6
107.08566	2.2
109.02885	1.9
109.06501	2.0
109.10149	1.3
111.71318	0.5
115.05438	2.3
117.06998	0.5
118.04157	18.4
118.05001	1.1
119.04905	1.7
119.08549	1.5
120.05704	2.1
121.06510	3.4
121.10117	1.7
122.07268	2.1
122.10497	0.6
124.05199	8.8
131.04926	1.6
132.05739	1.0
133.06483	23.3
133.10104	1.3
134.07225	2.0
135.04419	2.4
135.08012	4.3
135.11650	1.1
137.05992	2.5
145.10074	1.3
146.07239	1.5
147.04408	0.7
147.07977	0.7
147.11703	1.3
149.02277	0.7
149.05962	1.4
150.06749	10.2
151.03928	1.1
151.07542	3.7
159.11676	0.6
161.05983	4.1
161.13231	0.7
162.06721	1.4
163.07506	2.6
163.14864	0.7
165.07718	0.9
165.09106	16.0
166.09476	1.1
177.09065	0.7
178.06284	0.7
178.09862	6.3
179.03374	1.5
193.08591	100.0
194.08934	4.6
281.08057	2.5
311.09100	13.3
312.09518	0.8
339.08551	1.9
370.31784	1.4
371.10944	0.7
371.32422	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27816	0.4
60.05649	6.9
60.08132	1.4
65.15513	0.4
70.00201	1.8
70.06592	13.8
70.17010	0.4
72.08129	0.8
73.04720	1.3
83.00948	1.3
88.94600	0.4
90.85270	0.4
91.05807	2.6
95.06107	3.8
97.07612	1.3
98.23297	0.5
101.01996	1.8
112.03573	2.1
112.08692	1.5
115.08624	0.5
116.05647	0.6
116.07088	3.5
118.04614	1.5
124.54658	0.5
126.04040	0.4
128.05539	0.5
130.04599	1.2
130.09746	1.9
137.05704	0.8
137.06874	0.5
138.05156	0.7
140.06636	0.4
142.08228	2.3
144.05014	0.7
152.06670	1.2
153.05093	1.1
154.08211	1.8
154.13370	1.3
155.06619	6.8
156.05038	1.0
157.10847	0.5
158.09204	2.3
160.09305	1.3
162.06306	0.6
168.06169	1.1
169.09351	7.0
170.07767	1.2
171.06107	1.6
171.07600	0.5
171.10918	12.6
172.09276	4.0
172.10947	1.4
173.07724	15.3
174.07790	0.8
175.11882	10.5
177.00966	2.1
179.00624	0.6
179.09030	1.2
180.07468	0.5
182.07724	0.7
186.07210	1.0
187.05611	0.7
187.10373	4.3
189.11957	11.9
190.12025	0.9
191.02463	0.6
195.09843	0.5
196.09320	1.6
197.08585	3.0
197.10129	2.0
198.07234	1.3
198.12372	4.3
200.08699	0.7
201.00845	0.9
203.02553	1.1
213.10858	0.7
214.10341	0.5
215.02725	0.4
215.05072	1.4
215.09909	14.8
216.08284	3.2
216.10091	2.0
219.01970	3.3
220.02150	0.8
221.12463	1.3
222.10886	7.0
223.09143	0.8
223.11110	1.0
224.12454	7.2
225.12694	0.8
229.00484	1.0
232.96820	0.5
233.03542	1.6
233.10831	7.0
234.10883	5.3
235.11098	0.7
239.13460	3.4
240.11890	17.4
241.12039	1.8
248.13565	0.7
249.11984	1.5
251.13535	19.9
252.11575	3.6
252.13846	1.6
253.12344	0.5
256.13818	0.6
261.03418	0.5
265.11411	0.7
266.14651	2.3
267.08340	0.8
267.13068	2.9
268.97690	1.1
269.14575	100.0
270.12668	3.2
270.14786	8.0
271.13098	1.0
276.12991	1.7
276.37564	0.5
284.01572	0.6
285.00806	0.9
287.01071	0.7
293.15649	4.5
294.13925	5.4
299.00900	1.3
309.10577	0.7
311.16745	48.6
312.17267	5.5
316.98703	1.0
317.02090	1.1
317.10037	0.7
329.02631	1.5
329.08496	0.6
335.17795	0.7
336.16324	2.2
343.09708	1.5
347.03995	0.4
348.03204	0.5
353.18918	23.7
354.19278	3.0
355.06836	0.7
371.19986	61.6
372.20175	8.2
389.00101	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2062
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
52.89811	1.1
53.03943	7.7
55.01870	15.1
55.05509	37.8
57.03431	11.7
57.07074	1.6
59.04999	4.8
59.94548	1.1
61.02920	13.5
65.03952	2.1
67.05493	9.8
69.03429	56.0
69.07060	11.9
69.20885	5.5
69.21311	4.0
70.03743	1.7
71.01359	2.9
71.04987	9.8
73.02910	7.2
78.00172	1.1
79.05485	12.7
81.03416	38.0
81.07056	21.9
83.01361	1.4
83.04980	51.1
83.08619	37.9
85.02902	71.9
85.06526	6.6
87.04441	7.9
91.03962	4.0
91.05479	8.2
93.06462	1.3
93.07045	23.7
94.07395	1.6
95.04971	14.1
95.08600	15.3
97.02890	34.5
97.06536	14.6
97.10186	4.6
99.04454	9.7
99.08112	1.2
100.11271	1.4
101.02358	1.7
102.15141	1.0
103.03951	9.4
103.05469	2.4
105.07037	14.2
107.04970	4.0
107.08596	25.9
109.02877	15.8
109.06519	12.6
109.10160	15.8
111.04478	3.7
111.08067	11.1
113.06011	2.2
113.09660	2.6
115.03951	1.7
115.05449	1.6
117.05569	1.1
117.06998	2.6
119.04929	1.9
119.08606	6.7
121.06508	7.5
121.10145	21.0
122.10482	1.8
123.04448	3.9
123.08068	15.0
123.11710	6.2
125.05984	9.5
125.09628	11.9
127.03909	22.4
127.04749	1.9
127.07585	1.6
129.07004	2.3
131.08585	4.2
133.06512	2.5
133.10141	8.2
135.04362	1.2
135.08067	6.3
135.11682	5.1
137.05963	7.6
137.09628	4.8
139.07530	1.9
139.11182	31.9
143.08569	1.4
145.04976	8.6
145.10083	7.3
147.04416	2.5
147.08044	2.0
147.11707	4.0
149.05956	1.6
149.09622	13.8
149.13274	4.9
151.03860	1.4
151.07579	3.4
151.11180	37.0
152.11594	1.3
153.09152	2.8
155.10660	2.5
157.10150	1.7
159.08043	1.9
159.11754	1.8
161.09634	3.0
161.13255	1.4
163.07570	3.6
163.11183	13.4
167.07013	7.8
167.10683	6.4
167.14322	46.6
168.14607	2.0
168.53938	1.3
169.08626	3.7
169.12256	5.3
171.11833	1.2
173.09605	1.3
173.13271	3.1
175.07640	2.1
175.11246	2.7
177.05446	1.7
179.14279	1.5
181.12233	50.4
182.12520	2.3
185.08107	7.3
187.07602	1.4
189.12704	1.5
191.07024	1.9
191.10648	6.5
191.14281	8.2
195.10219	4.8
195.13867	1.8
199.07599	1.2
203.14252	1.5
209.11839	3.6
209.15361	100.0
210.15701	6.3
217.08627	2.3
227.12798	2.3
233.15311	8.4
259.13275	1.9
263.06982	1.2
263.16415	1.9
275.16354	2.1
295.15372	1.8
309.16568	1.2
313.16492	1.9
317.17456	1.9
321.11270	2.0
335.18469	4.1
336.19006	1.3
339.12219	4.4
353.13632	1.5
371.16324	5.4
371.20764	11.8
372.20850	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86546	5.5
55.48516	6.0
61.61519	6.3
69.03413	6.4
69.07054	6.5
71.34389	6.9
79.05508	10.1
81.07022	9.4
89.06016	11.2
91.05463	6.7
93.07047	7.6
95.53313	5.9
95.54046	5.0
98.63583	6.1
105.07080	10.1
107.04953	8.2
107.08580	16.7
109.10173	12.1
121.10143	9.8
122.07391	6.3
133.08557	6.1
133.10121	100.0
135.08011	10.4
137.06000	35.1
137.09608	54.6
149.13205	15.0
151.03944	12.5
153.01866	7.9
157.53697	5.6
167.07008	11.6
191.14291	37.5
209.15329	9.9
217.08588	25.1
247.09666	6.7
261.09210	7.6
278.09509	7.6
298.66226	6.9
311.12793	6.3
313.97940	6.6
339.12387	8.8
341.10233	7.0
371.10852	10.5
371.14911	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2063
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03943	2.0
55.01861	2.0
55.05503	1.8
57.03437	1.8
61.02920	3.1
64.18032	1.2
67.05519	1.9
69.03427	14.6
69.07064	1.8
70.67973	2.4
73.02923	1.3
74.44492	1.3
79.05488	1.3
81.03413	8.5
81.07051	3.7
83.04971	1.7
84.36445	1.2
85.02903	34.4
91.03929	1.7
91.05509	2.1
93.07050	3.8
95.04987	2.8
95.08598	4.9
97.02896	7.9
97.06512	1.3
98.13711	1.3
99.07989	1.3
105.07018	3.6
107.04942	4.2
107.08611	7.2
109.02876	2.3
109.06523	6.2
109.10125	2.8
119.08548	3.7
121.10162	10.6
122.07238	1.7
123.08054	5.8
123.11711	3.2
127.03925	6.0
131.08571	1.4
133.10112	2.1
135.08037	2.3
137.09599	9.4
143.08495	1.4
145.04990	4.6
147.11685	2.5
148.90302	1.2
149.09613	28.7
149.13287	4.9
150.09904	1.9
151.11182	14.6
154.99046	1.4
160.74066	1.2
165.12753	41.8
166.13062	3.4
173.13235	2.0
191.14270	15.3
193.15834	1.4
209.15363	100.0
210.15634	8.3
246.80032	1.4
249.09166	1.6
277.08618	2.2
281.08008	1.7
283.09555	3.2
295.09515	1.7
313.10544	1.7
328.12872	8.7
371.16531	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05598	16.6
65.17770	17.4
65.51530	19.0
69.03424	33.3
69.07490	68.8
69.07909	100.0
76.14007	15.4
81.03419	97.8
81.07069	22.8
84.74371	15.6
85.02937	26.3
91.05466	21.7
93.07053	44.4
95.04964	61.1
95.08618	17.0
99.04465	43.4
105.07060	24.1
107.08618	40.5
109.02887	25.3
109.10162	27.2
115.01008	17.1
115.98051	18.0
121.10114	56.4
127.03950	38.6
131.08548	23.9
133.10121	20.4
151.11203	57.6
153.09119	24.9
163.11160	22.9
163.14871	20.2
167.07011	20.6
167.10690	23.2
191.14319	69.3
191.56181	19.1
209.15379	57.1
308.80991	18.2
339.12512	32.9
371.14716	48.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.1
55.01866	13.7
55.05511	32.9
57.03439	11.7
57.07072	1.9
57.99786	1.2
59.04992	3.0
61.02926	16.9
65.03954	1.4
67.05505	8.6
69.03430	63.6
69.07061	8.4
69.40070	8.0
71.04995	9.6
73.02914	7.6
79.05496	12.2
81.03414	37.8
81.07059	16.8
83.01356	1.5
83.04982	61.0
83.08124	2.8
83.08619	42.8
85.02904	72.2
85.06539	5.6
87.04457	6.8
91.03950	4.2
91.05468	11.6
93.07043	25.3
95.04960	11.1
95.08597	15.3
97.02894	30.8
97.06525	12.6
97.10165	4.9
98.23301	2.4
99.04465	10.1
99.08089	1.3
103.03939	7.0
103.05494	2.0
105.07026	12.0
107.04951	3.6
107.08586	27.7
107.24107	1.1
109.02885	17.5
109.06518	11.0
109.10148	14.8
111.04479	2.9
111.08080	12.6
113.09614	2.0
115.03928	1.8
117.07012	3.1
119.04938	1.4
119.08573	8.8
121.06505	7.0
121.10145	19.1
123.04449	2.9
123.08062	13.5
123.11701	7.1
124.08389	1.4
125.05997	7.0
125.09650	10.2
127.03912	20.1
127.07576	2.8
127.11153	1.4
129.05508	1.6
131.04961	1.8
131.08595	3.4
133.06444	1.6
133.10074	7.8
135.08054	4.6
135.11719	5.5
137.02348	1.2
137.05969	7.7
137.09608	4.9
137.13321	1.4
139.07530	1.7
139.11180	32.9
143.08574	1.7
145.04984	9.4
145.06474	2.1
145.10104	7.6
147.04425	2.4
147.11702	3.5
149.05934	3.7
149.09618	18.2
149.13260	5.4
151.07536	3.0
151.11180	37.2
152.11467	1.7
153.05424	1.2
153.09134	3.8
153.73555	1.2
155.07074	1.2
155.10753	2.9
159.08139	1.5
159.11674	2.3
161.09604	2.6
163.07567	3.0
163.11179	10.6
165.05569	1.4
165.06990	1.3
165.09135	2.5
167.07054	7.2
167.10706	8.7
167.12903	2.6
167.14319	47.7
169.08623	3.4
169.12254	4.7
173.09579	2.9
173.13229	2.8
175.07570	1.9
175.11145	1.6
177.12794	1.2
179.14325	1.7
181.12236	51.6
182.12601	3.2
185.08139	5.1
191.07037	1.6
191.10623	7.3
191.14317	9.6
195.10188	3.3
201.13098	1.2
201.88713	1.1
205.12141	1.5
209.15369	100.0
210.15692	6.3
217.08543	2.9
217.12306	1.3
218.07262	1.3
221.15358	1.7
227.12788	3.0
233.15396	8.2
235.07362	1.6
249.09248	2.0
263.16443	2.8
265.08618	1.4
275.16354	3.4
295.15353	1.7
313.16467	2.5
317.17328	2.0
335.18460	4.4
339.12128	3.0
364.40973	1.3
371.16125	5.9
371.20709	15.3
372.21213	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2214
Annotation	Ferocinin
Peak:m/z	Relative Intensity
50.80037	1.2
54.39406	1.0
67.05505	1.1
69.07055	1.8
71.31738	1.7
73.04742	2.6
79.05511	1.6
81.07040	6.2
86.88798	1.2
87.04451	1.5
91.05769	4.7
93.07025	1.5
95.08591	2.1
105.07017	2.4
107.08626	1.7
117.06995	1.6
119.08592	1.3
121.10188	2.1
133.10143	1.6
135.11707	2.1
137.09605	1.2
146.80174	1.2
165.05582	1.4
167.03372	1.7
177.16354	1.7
181.04973	2.2
195.06520	54.1
216.64487	1.2
217.08769	1.4
220.07162	1.3
221.08141	4.7
230.09538	1.4
233.08139	4.3
234.08754	2.2
235.09659	4.7
245.08002	1.4
247.09581	1.5
248.10184	1.2
257.08011	2.0
258.08902	1.7
259.09555	2.5
271.09653	9.2
272.10236	2.0
273.11234	3.9
285.00858	1.3
285.11243	6.5
287.12955	1.9
295.13239	1.3
299.12961	1.4
301.14297	1.7
313.14322	8.3
314.14871	1.3
327.15817	8.1
328.16245	1.6
332.69275	1.2
341.17627	1.5
355.07007	1.6
371.22159	100.0
372.22461	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	371.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.5
63.89941	0.3
69.03427	0.5
69.07072	0.4
69.63567	0.5
69.63982	1.1
71.04987	0.3
73.02894	0.4
73.04753	0.3
73.06550	1.0
79.05478	0.5
83.04980	0.5
87.04462	4.3
88.64964	0.3
89.06025	100.0
90.06351	1.4
91.05447	0.4
91.07590	0.4
93.07041	0.4
95.04962	0.9
97.06543	0.3
98.22647	0.4
99.04429	0.4
105.07029	0.4
107.04922	0.5
107.07060	2.9
109.02818	0.4
109.06515	0.3
111.04412	0.3
115.05434	0.5
119.08566	0.3
123.04420	0.4
127.03881	0.3
129.05466	0.3
130.08633	0.7
131.07011	1.0
131.08504	0.3
133.08595	46.3
134.08946	1.6
135.10204	0.3
137.05931	1.4
149.09575	0.4
151.03870	0.4
152.23703	0.3
156.05769	0.4
161.05946	0.4
163.03969	0.3
163.07562	0.4
167.07001	2.1
175.09727	0.3
177.05469	0.6
177.11208	9.0
178.11501	0.4
181.06433	0.3
187.07533	0.4
191.14308	0.7
195.12259	0.6
209.08060	0.3
209.15372	1.0
217.08557	1.0
221.13737	0.5
231.08020	0.3
239.14888	0.5
247.07545	0.3
261.09085	0.5
283.17630	0.4
285.00885	0.3
295.09738	0.3
307.09418	0.4
309.11063	0.3
321.11237	0.3
326.11218	0.4
327.19977	0.8
327.43549	0.3
353.10242	3.9
353.14059	0.7
354.10715	0.5
371.11249	6.9
371.16284	1.4
371.22626	1.2
372.11459	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.4
55.01874	0.6
55.05508	5.5
57.03411	0.8
57.07063	2.1
57.19830	0.6
59.04985	1.3
65.03920	0.9
67.05167	0.8
67.05506	11.7
69.03422	2.8
69.07069	8.3
69.78365	2.1
69.78783	1.0
71.04980	2.1
71.08612	0.5
78.08668	0.6
79.01547	0.7
79.05051	0.8
79.05494	14.6
79.05950	1.0
81.07058	18.0
83.04963	2.2
83.08607	2.6
87.04451	2.2
91.05479	7.0
93.07047	26.6
95.04971	2.6
95.08605	14.2
97.06532	2.5
97.10147	1.0
98.22681	0.7
99.04457	1.5
105.07033	8.7
107.04922	0.9
107.08593	24.8
108.08915	0.7
109.06504	1.9
109.10160	7.1
111.08076	2.7
117.07065	1.2
119.08585	8.7
121.06478	1.7
121.10146	17.0
123.04441	0.9
123.08068	3.6
123.11710	9.0
125.09638	2.7
131.08562	2.1
133.10136	9.4
135.08098	2.7
135.11696	42.9
136.12027	1.7
137.09615	96.2
137.13194	3.8
138.09970	3.6
139.07552	2.0
139.11176	5.4
143.08543	1.0
145.10133	1.9
147.08037	4.1
147.11684	6.1
149.09616	4.7
149.13286	3.1
150.10362	1.2
151.11198	4.9
153.09123	0.8
156.09395	1.3
157.10037	1.2
159.11699	1.6
161.09634	3.5
161.13284	1.6
163.07455	0.9
163.11166	1.8
163.14799	2.2
165.09178	5.4
165.12746	2.5
167.10655	4.0
171.11697	1.9
173.13301	2.6
174.10394	1.3
175.11174	3.0
175.14819	1.0
177.09068	1.0
177.12743	0.8
177.16434	0.8
179.10664	5.7
184.12553	0.6
185.13231	0.8
187.14955	0.7
188.22656	0.6
189.12706	4.3
189.16397	4.3
191.10759	1.1
191.14285	2.7
193.12236	10.7
195.10127	1.1
199.14812	1.2
201.12729	1.0
205.12250	1.2
207.13802	7.1
209.11649	1.3
209.15355	2.7
213.16512	0.6
217.12306	1.6
219.13759	2.9
221.15311	3.5
223.13336	0.8
225.12976	0.6
231.17470	1.7
233.15326	1.4
235.13286	100.0
236.13605	6.6
237.14839	20.3
247.13191	1.2
249.14873	15.3
250.15193	1.1
251.16327	0.8
259.16852	0.7
261.14886	1.8
273.22064	1.1
275.16437	1.4
283.20438	0.9
287.16391	2.4
289.18011	3.8
301.18262	1.1
301.21683	2.2
303.19540	1.3
315.19653	3.4
323.25967	0.7
329.21130	0.7
371.25790	73.7
372.26227	9.2
372.34796	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.1
55.01879	1.2
55.05506	10.4
57.03439	1.9
57.07072	6.1
57.07675	0.9
59.05007	6.9
65.03936	1.8
67.03756	0.9
67.05502	20.6
68.62169	0.9
69.03424	6.0
69.07065	15.2
70.06577	2.5
71.04988	3.1
73.66510	1.0
79.05486	22.7
81.06567	1.7
81.07053	31.8
83.04537	1.1
83.04971	5.9
83.08622	6.0
83.09034	1.0
87.04470	8.3
91.05470	21.1
93.07043	53.0
94.07400	1.9
95.04970	5.0
95.08023	1.8
95.08604	24.7
97.06535	11.5
97.10163	3.7
99.04449	2.4
105.04509	1.0
105.07029	21.8
107.04955	1.2
107.08589	57.0
108.08916	1.8
109.06520	5.0
109.10147	14.2
110.07344	1.0
111.08088	7.7
116.07147	1.3
117.06989	3.2
119.06078	1.8
119.08569	17.1
121.06513	3.6
121.10137	50.0
122.10473	1.7
123.04443	1.3
123.08057	5.7
123.11700	14.2
125.05991	1.5
125.09676	5.2
129.07001	1.6
131.08591	6.5
133.06490	1.3
133.10129	17.9
135.08084	7.1
135.11685	92.7
136.08765	1.0
136.12048	3.8
137.06067	1.9
137.09610	100.0
137.13203	2.9
138.09958	4.1
139.07549	2.6
139.11171	29.7
140.11536	1.3
143.08559	3.7
145.10123	4.4
147.08040	4.1
147.11693	11.3
149.09601	15.7
149.13239	6.1
150.10388	8.1
151.07582	1.1
151.11176	8.6
153.09094	2.6
155.08588	1.2
157.10110	3.4
159.11681	3.6
161.09598	7.7
161.13245	3.0
163.07567	1.8
163.11203	2.7
163.14816	3.4
165.09114	5.6
165.12740	2.2
167.10680	19.3
171.11726	2.5
173.13275	3.6
175.11186	4.6
175.14841	1.7
177.09123	2.5
177.12717	1.8
177.16348	2.4
179.10701	9.5
181.12206	1.9
185.13281	1.5
187.11057	1.1
187.13269	1.3
189.12798	6.7
189.16386	5.5
191.10680	2.3
191.14281	8.3
193.12210	10.6
195.10201	4.7
195.13771	1.9
199.14883	1.5
201.12793	1.3
201.16444	1.4
203.14351	2.3
203.17982	1.4
205.12181	1.1
207.13802	8.2
209.11694	2.5
209.15361	11.6
213.16383	2.6
217.12285	1.6
219.13748	2.3
221.15479	5.4
223.13272	2.2
231.17476	2.6
231.67088	1.1
233.15419	1.4
235.13278	70.8
236.13634	4.4
237.14842	85.5
238.15259	4.1
241.15791	1.5
245.15422	1.3
249.14845	20.8
250.15108	1.5
251.16493	3.2
255.21172	2.3
261.14877	1.8
279.19678	1.7
287.16299	1.7
289.17908	3.1
301.21497	3.7
303.19232	1.7
315.19348	5.1
329.21121	1.2
353.24722	2.0
371.25787	58.1
372.26123	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	371.279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86684	1.3
51.11853	1.4
53.00326	1.4
53.03939	3.9
55.01868	4.8
55.05506	54.2
55.05778	2.7
56.05855	1.6
57.03433	31.2
57.07072	54.0
59.05003	3.1
65.03938	2.9
67.05499	56.8
69.03411	3.6
69.07062	75.5
71.04988	4.9
71.08259	2.7
71.08628	30.7
71.33691	2.1
73.06557	3.8
78.04681	1.7
79.05488	30.6
79.98696	1.2
80.05821	1.6
81.07050	77.9
82.07352	2.3
83.04962	9.2
83.08616	59.7
85.06538	5.3
85.10182	14.9
87.04456	4.6
91.05465	9.4
93.06444	2.4
93.07037	40.2
95.04977	2.6
95.08600	77.4
96.08929	2.8
97.06519	22.0
97.10161	37.0
97.10738	2.7
99.08099	2.5
101.06012	5.0
105.04512	1.8
105.07018	8.3
107.04955	14.7
107.08591	29.5
109.06565	1.4
109.10146	33.5
110.10363	1.3
111.08090	15.7
111.11720	7.5
115.05450	3.4
115.07564	5.0
117.06995	2.7
119.08579	6.1
121.10141	37.1
123.04422	7.3
123.11678	13.8
124.05193	2.2
125.09615	14.8
125.13255	2.6
127.11269	1.4
129.09128	6.0
131.08556	3.0
133.06541	2.2
133.10146	6.6
135.11667	26.6
137.13219	9.9
139.11169	11.7
139.14819	1.5
143.10735	4.5
145.10118	3.0
147.11702	4.4
149.09525	1.6
149.13220	16.8
151.07568	1.6
151.11107	2.5
151.14835	4.1
153.12735	10.0
156.05685	1.6
157.12256	3.2
161.06018	3.7
161.13283	5.5
163.14795	12.5
165.12724	2.8
167.07022	26.7
167.14296	6.8
168.07390	2.1
171.13889	3.2
173.05978	1.6
173.32159	1.5
175.01595	2.0
177.16371	7.6
179.14301	3.5
181.15897	5.8
187.14708	1.5
191.17926	3.4
192.98734	1.4
195.17528	3.2
209.19081	1.9
213.18422	1.7
217.04929	18.4
217.06464	1.6
217.08676	4.0
218.05112	2.2
223.16969	1.9
233.22630	18.4
234.06848	1.9
238.59470	1.6
243.21117	3.4
251.23671	22.2
252.23970	1.7
261.22079	10.7
265.08658	2.2
279.06470	1.8
279.23181	17.6
280.23938	1.6
293.08084	3.2
295.09537	1.9
297.24249	3.2
299.09192	3.5
312.09857	2.2
313.76202	1.4
315.13437	1.9
315.25262	67.6
316.25708	5.2
353.10242	4.0
353.26917	16.6
371.11295	5.8
371.22144	4.7
371.27942	100.0
372.28210	11.4
372.35123	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	371.279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.5
55.01874	8.5
55.05252	2.5
55.05509	43.2
57.03204	1.6
57.03432	16.9
57.07063	6.7
59.04989	2.4
62.71412	1.4
65.03934	3.7
67.05501	91.4
69.03410	2.6
69.07062	66.4
71.04988	8.9
71.08658	1.6
71.32887	2.0
73.06557	1.6
79.05486	44.6
81.07051	100.0
82.07379	2.9
83.04977	13.1
83.08620	21.3
85.06543	10.3
85.87789	1.3
91.05453	18.4
93.07037	49.0
95.04974	5.1
95.08601	84.7
95.13291	1.5
96.08931	2.1
97.06518	14.6
97.10164	16.9
99.04498	1.5
101.05967	1.7
103.05471	2.3
103.06674	1.6
105.04494	1.3
105.07037	9.4
107.04928	2.6
107.08585	27.7
109.06497	2.8
109.10150	48.2
111.04446	2.3
111.08076	5.3
111.11726	3.1
113.05979	1.8
113.09621	1.7
117.06981	3.7
119.08560	8.7
121.10145	27.4
123.04438	2.3
123.08067	3.7
123.11706	22.3
125.09614	4.1
128.06155	2.1
128.52979	1.5
129.05486	2.3
129.06978	1.8
131.08580	11.2
133.06453	1.8
133.10135	10.5
135.08096	2.2
135.11682	23.0
137.05997	4.2
137.09605	3.2
137.13217	7.2
139.11157	4.0
145.10117	5.3
147.11682	12.4
149.09593	1.8
149.13257	10.6
151.03844	4.1
151.07512	1.6
151.11151	4.0
151.14780	1.9
153.12733	3.5
155.08450	1.5
159.11665	4.9
161.13214	9.5
163.11171	1.8
163.14825	4.6
165.07030	1.6
165.12735	3.3
167.07062	3.2
167.08510	1.5
167.14334	2.1
173.11797	2.3
173.13261	6.2
175.14781	4.2
177.12680	2.4
177.16345	2.0
179.14249	2.8
181.12158	1.6
187.13292	2.7
187.14835	4.9
189.11140	1.5
189.16373	2.9
193.06432	1.8
193.50887	1.6
195.13800	2.8
205.15910	2.0
209.15369	3.0
213.51901	1.4
217.08644	1.6
221.05902	1.5
223.07346	2.4
223.16853	2.4
225.08978	1.7
234.06520	2.1
235.07425	2.6
237.09059	2.0
238.06313	1.4
243.21054	9.7
247.07365	2.2
249.05420	1.8
249.09109	3.6
250.06181	1.4
251.07141	3.1
253.08510	2.4
261.09058	1.7
261.22110	28.8
262.22449	2.0
263.07080	1.7
265.05112	1.5
265.08322	2.2
277.08664	3.0
278.08728	1.6
279.23169	61.0
280.07281	2.2
280.23514	4.9
281.07977	1.6
282.08725	1.6
293.07977	3.9
293.92773	1.5
297.24188	2.7
307.09625	2.5
321.07449	1.6
322.08261	2.3
323.09079	5.6
325.11057	1.8
339.08459	1.7
339.12155	8.0
341.10242	7.1
353.09836	1.7
353.26917	15.2
371.14734	7.9
371.21646	2.0
371.27893	28.5
372.28687	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.4
55.05513	1.7
57.03442	2.1
69.35133	9.8
69.35538	2.6
79.05505	4.6
85.02903	4.1
85.57525	1.6
95.01327	4.1
95.04959	3.6
101.59682	1.5
105.03392	100.0
105.04510	3.7
106.03713	3.2
123.04450	7.2
132.64523	1.8
137.05942	3.7
141.01833	4.6
170.05658	1.9
179.03455	1.9
179.07037	27.0
197.08151	10.2
200.27890	2.0
236.12938	1.9
373.14157	2.6
373.18387	31.5
391.43387	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01835	4.5
57.03413	5.2
69.03421	4.8
70.06602	9.1
71.33157	7.5
81.03424	5.3
82.06528	4.7
84.08163	5.1
85.02904	30.8
86.09702	11.2
92.41871	3.7
95.04980	4.4
103.03921	4.6
103.76019	4.2
109.02862	7.3
121.02841	5.4
122.02753	5.5
123.04427	16.6
128.07072	8.2
128.10661	5.0
137.05968	5.1
139.03906	14.9
144.04744	9.6
147.04395	6.3
149.05801	4.7
151.03903	14.3
153.01793	11.4
163.03957	14.7
163.07623	8.4
165.01895	26.0
165.10269	11.6
175.11974	4.1
177.01767	30.8
177.05458	12.1
181.04950	6.4
183.02893	13.4
183.90643	5.0
187.03957	4.3
189.05507	11.0
191.03398	18.2
191.07021	5.6
193.04974	17.1
193.09743	5.6
195.02884	53.0
205.04948	57.4
207.10187	4.3
209.04503	4.6
211.05783	100.0
211.09578	3.9
217.04990	32.1
219.02863	44.7
223.06035	17.7
227.61830	4.6
229.04875	8.6
231.02936	11.6
235.05989	80.1
249.04019	10.5
253.06985	26.0
259.06113	10.4
261.03931	16.5
277.07098	12.3
279.05084	5.8
289.07043	18.9
297.05988	12.4
301.07025	6.7
319.08170	14.1
330.21494	9.0
337.09198	9.7
373.10837	24.1
373.14755	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	373.1127
Annotation	Cycloshermilamine D
Peak:m/z	Relative Intensity
52.85113	1.8
53.03944	4.8
54.51104	1.6
55.93045	1.6
57.03422	4.5
58.08973	1.7
67.05488	2.1
69.03415	2.9
71.32503	1.9
73.02872	1.6
79.05472	8.2
81.03421	1.9
84.08148	1.7
85.02887	7.3
87.36131	1.8
89.03896	1.9
91.05467	2.7
95.04958	4.5
97.02898	2.4
105.03381	100.0
106.03660	2.1
107.04877	2.0
111.04408	2.6
117.03353	7.0
123.04399	10.1
137.05978	5.2
139.03825	2.7
140.03502	2.2
141.01779	2.8
145.02853	17.2
145.04912	1.8
147.04486	2.4
149.05948	3.8
150.26183	2.1
151.03891	4.0
161.05876	3.6
163.03963	2.3
176.71111	1.9
177.05457	42.0
179.07018	32.9
179.08443	3.5
181.05014	1.9
182.15419	2.6
183.15753	2.3
195.06506	16.2
197.08116	6.8
227.63553	2.1
297.11169	1.9
299.09241	2.8
302.46567	2.0
373.14279	3.8
373.18726	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	373.1282
Annotation	Tangeretin
Peak:m/z	Relative Intensity
51.10037	0.3
53.03926	0.5
55.01880	0.4
55.05511	0.4
57.88704	0.3
58.98843	0.3
60.04024	0.3
65.03930	1.2
67.05490	1.4
68.68874	0.3
69.07056	0.7
71.32050	0.5
73.77406	0.3
79.05480	0.7
81.07040	1.3
85.02880	0.4
86.14864	0.3
91.05488	1.2
93.07031	0.9
95.04952	0.6
95.08607	0.9
97.06546	0.5
97.35219	0.3
103.05434	0.6
105.07018	1.1
107.04960	0.7
107.08586	0.6
109.10159	0.6
110.03703	0.3
111.04465	0.4
115.05439	0.3
119.08549	0.6
121.06493	2.2
121.10103	0.6
126.30457	0.3
129.06979	0.4
131.04956	0.5
131.08554	0.5
133.06491	0.4
135.04414	9.1
135.11729	0.5
137.05980	1.0
137.09647	0.4
147.04410	0.9
148.05099	0.5
149.05966	1.0
151.03908	8.2
151.04988	0.7
151.07535	1.2
153.01880	0.4
153.05463	0.7
159.08009	0.5
159.11620	0.4
161.05977	1.0
161.09666	0.3
163.03897	0.8
163.07552	0.6
165.05467	1.0
165.09129	0.4
171.06503	0.4
179.03381	0.7
181.04955	15.4
182.05313	0.6
189.09088	0.6
193.01337	0.3
193.08617	1.1
193.10199	0.3
195.02884	3.6
195.08081	0.4
199.11270	0.4
207.02969	0.7
209.09796	0.4
211.07526	0.6
213.09030	0.7
218.31439	0.3
219.10204	0.5
221.11690	0.5
225.09070	0.7
227.10677	0.6
236.12479	0.3
238.09898	0.5
241.08630	1.5
242.09276	0.4
248.08179	0.5
251.06796	0.4
252.07877	0.4
253.08516	0.6
255.06551	0.8
255.10191	1.8
257.08157	0.4
263.10544	0.6
265.08627	0.7
266.09363	0.6
269.08041	2.4
270.08661	0.7
281.08200	0.5
283.06018	0.5
283.09680	0.7
284.10349	1.0
285.07666	0.7
285.11203	0.8
287.09103	4.3
295.13486	0.5
296.06903	0.5
297.07565	5.6
298.08160	2.2
299.09113	1.1
300.06635	0.5
300.09775	1.7
301.07074	1.2
301.10550	1.0
310.08231	0.6
311.09125	14.1
312.09814	4.8
313.07120	0.5
313.10410	0.9
313.14078	0.8
314.07849	0.4
314.95770	0.4
315.08585	1.6
318.75885	0.4
323.13223	0.4
325.07053	1.4
326.07834	5.4
327.08466	3.0
329.10233	1.3
330.07086	0.6
331.11719	0.4
340.09479	0.5
341.06683	1.3
341.10190	28.4
341.13510	1.2
342.07169	0.8
342.10709	1.9
343.08105	27.2
344.08551	3.6
355.11801	1.3
355.15482	0.5
357.09659	4.8
358.10428	13.6
359.10812	0.8
373.12802	100.0
374.13101	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	373.1281
Annotation	2,3-Dehydrokievitone hydrate
Peak:m/z	Relative Intensity
54.07002	0.6
55.05504	2.9
67.05495	5.5
69.03431	1.0
69.07058	1.9
71.04985	0.9
78.04743	0.7
79.05485	2.2
81.07052	3.7
83.05003	0.8
85.02863	0.9
91.05486	3.9
93.03381	0.9
93.07019	2.3
95.04948	2.1
95.08618	1.8
97.10211	0.9
103.05478	1.4
105.07034	2.5
105.48655	0.7
107.04949	1.0
107.08598	1.2
109.06517	1.2
109.10171	2.2
115.60350	0.8
117.06981	1.2
118.04167	1.8
119.04952	1.4
119.08565	2.0
120.05710	0.9
121.06483	1.3
121.10113	1.8
123.11698	0.8
124.05168	0.9
125.06031	0.6
125.09567	0.9
126.00433	0.6
131.08522	0.8
133.06508	2.8
133.10139	1.1
135.04414	13.5
135.11699	1.3
137.06023	1.1
145.06432	1.0
145.10118	1.0
147.04431	1.9
148.05188	3.1
150.06804	0.7
151.03889	6.0
151.04965	1.2
151.07547	3.1
152.04678	0.8
159.08131	0.9
161.02362	0.8
161.05960	1.5
163.03986	1.2
163.07565	0.9
165.05486	3.9
165.06873	0.7
165.09071	1.7
171.11800	1.1
175.03981	1.0
181.04961	6.4
183.08032	1.2
183.11652	0.8
193.08592	10.9
195.08154	0.8
207.02875	5.5
209.09552	0.9
211.07510	1.2
215.07019	1.6
235.09473	1.1
237.09097	1.6
239.06969	1.6
241.99562	0.7
249.11203	1.4
253.08539	1.2
254.09427	1.6
265.08496	1.5
267.06516	1.6
269.08112	1.0
269.11572	1.3
282.08826	2.8
283.09454	1.0
293.08118	1.7
294.08731	0.9
295.06003	4.6
297.07602	31.4
297.10971	2.2
298.07855	3.3
309.07581	1.4
310.04980	1.1
310.08353	15.0
311.08838	2.2
312.09833	1.4
325.07034	6.7
325.10724	13.8
326.10870	1.1
339.08524	4.4
340.09396	12.3
341.09622	1.5
355.11737	100.0
356.12097	9.9
373.12592	3.2
373.23529	1.3
373.28070	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1282
Annotation	Prosogerin C
Peak:m/z	Relative Intensity
53.03933	0.3
55.05501	0.7
56.05031	0.4
57.07078	1.5
58.06581	0.3
62.00283	0.3
67.05501	1.1
69.03425	0.4
69.07073	1.3
70.06583	1.0
71.08639	0.3
71.31868	0.4
79.05482	0.6
80.35249	0.3
80.80950	0.3
81.07056	2.1
82.96223	0.3
83.04971	1.3
85.06527	0.5
87.04453	1.3
88.07629	2.5
91.05482	0.8
93.03365	0.3
93.07045	1.3
95.04964	0.5
95.08611	1.6
97.10148	0.4
98.71059	0.2
102.09172	1.1
105.03391	0.3
105.07033	1.2
107.05004	0.3
107.08594	1.3
108.05785	0.3
109.06522	0.6
109.10150	1.0
117.06989	0.2
119.08595	0.9
121.06519	0.7
121.10120	1.2
123.11726	0.4
131.04951	0.3
131.08514	0.4
133.02783	0.3
133.06494	0.6
133.10112	0.9
135.04404	5.4
135.05359	0.5
135.11708	0.5
137.09637	2.1
139.11171	0.4
145.06500	1.1
145.10091	0.3
147.04364	0.3
147.11703	0.5
149.06006	0.5
151.03911	1.1
151.11201	1.1
152.04733	0.6
153.05444	0.4
157.06371	0.3
159.04456	0.6
161.02441	0.4
161.05969	0.9
162.06808	0.5
165.09207	0.4
167.03398	1.2
168.04111	0.7
170.07225	0.3
171.08035	0.7
173.05916	0.3
177.05357	0.3
177.09055	0.3
179.03409	0.9
179.36922	0.3
181.04938	0.4
193.12215	0.3
195.08041	0.3
197.04381	0.4
198.05246	0.3
199.07468	0.3
201.05438	0.7
205.08537	0.3
207.02937	2.3
210.06720	0.7
213.09128	0.8
215.07051	0.7
223.07777	0.3
223.09610	1.4
225.09123	0.3
226.06361	0.3
227.07098	0.9
227.10478	0.3
235.07616	0.4
235.09706	0.7
235.13300	1.6
237.14751	1.2
238.06168	0.6
239.06659	0.4
240.07817	1.1
241.08655	1.0
244.07303	0.7
251.07014	0.7
253.08763	0.5
254.05760	0.7
255.06387	0.3
255.10156	0.6
257.04456	0.5
259.09601	1.1
265.08646	0.4
266.05701	0.9
267.06171	0.3
268.07288	0.7
269.08081	14.3
270.08453	1.1
271.13245	0.9
272.06799	7.8
273.07098	0.9
279.06540	0.6
280.94666	0.3
281.08099	3.5
282.08694	0.7
283.06638	0.2
283.09534	1.3
284.10391	0.5
287.09219	0.6
289.14700	0.3
293.08209	0.6
294.08896	0.9
296.06772	1.1
297.07578	23.6
298.07944	2.2
300.06305	6.0
301.06772	0.5
307.02274	0.3
309.07565	7.0
310.04987	0.3
310.08069	1.6
311.09109	3.2
312.09824	4.0
312.32556	2.6
313.06958	0.6
313.10229	0.5
314.07745	0.9
315.08612	23.5
316.09052	1.7
321.07748	0.5
324.06219	0.4
324.32471	0.6
325.07062	5.3
326.07709	0.4
327.08685	0.9
328.05856	0.5
329.10120	0.7
337.17935	0.3
339.08636	7.3
340.09387	17.7
341.09869	1.9
342.07245	2.7
343.08136	8.4
344.08493	0.4
355.19012	1.6
357.09692	13.7
358.10394	9.2
359.10773	1.1
372.34576	1.4
373.12808	100.0
373.27057	1.9
373.35028	1.0
374.13159	11.0
374.17847	0.3
374.36249	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	373.1492
Annotation	Grevilloside C
Peak:m/z	Relative Intensity
53.03942	2.7
53.96731	1.4
54.11516	1.3
55.01872	2.1
58.62227	1.4
63.46053	1.4
65.03939	3.6
67.05505	1.4
69.03419	2.4
69.32707	9.8
71.01384	1.3
78.04712	1.5
79.05476	9.9
81.03406	6.5
81.07037	3.2
85.02910	3.7
86.99778	1.4
91.05466	8.6
93.07021	2.3
95.04970	2.1
95.08626	1.7
98.22651	2.6
103.05457	18.5
105.04499	1.2
105.07032	10.2
107.04948	100.0
107.08601	3.5
108.05299	3.0
109.02882	3.4
109.10134	1.4
115.05461	6.1
117.07032	3.7
119.04894	1.3
120.05732	4.2
121.06499	2.4
123.04448	5.7
131.04922	9.2
133.06468	2.5
135.08046	31.2
137.05948	6.4
145.07648	4.1
147.07996	1.3
149.05960	1.5
151.03902	13.7
153.05479	2.0
154.06233	1.4
157.10121	1.4
161.05986	4.1
163.07538	89.8
164.07944	3.8
165.05519	2.8
165.07062	2.3
167.07031	57.3
171.06516	1.4
180.07777	2.0
181.04951	35.1
181.08484	2.2
195.10152	46.8
196.10547	2.1
213.11200	2.9
219.10185	2.6
251.06955	3.3
295.09665	2.0
373.12628	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	373.1495
Annotation	Syringin
Peak:m/z	Relative Intensity
53.03941	1.7
53.49335	1.1
55.01868	1.9
55.05487	1.5
57.03432	2.0
61.02925	2.1
66.01053	1.4
67.05499	2.9
67.17307	1.1
69.03439	3.6
70.77749	3.3
71.04997	2.6
78.04707	1.9
79.05489	2.9
81.03418	4.2
81.07050	2.2
83.01336	3.4
83.04983	1.8
85.02906	17.2
90.18789	1.3
91.05487	3.4
93.07052	2.4
95.04987	3.8
95.08605	2.3
97.02872	4.5
97.06522	2.0
103.03963	1.4
103.05476	2.9
105.07041	3.7
107.04956	5.7
107.08607	2.5
109.02886	2.4
109.06536	1.6
113.06004	9.1
117.07005	1.6
119.08574	2.3
121.06514	2.7
123.04450	5.6
123.08067	2.5
124.05240	2.3
125.06008	1.5
127.03889	2.9
131.04945	1.6
131.08551	1.8
133.06569	1.4
133.10175	2.8
137.05978	11.9
141.05426	1.8
145.04944	2.4
147.04402	2.4
147.08054	2.4
149.05937	1.5
151.03905	3.4
151.07526	2.3
161.05986	2.6
161.09660	3.6
163.07501	6.1
164.08284	2.3
165.05489	2.5
165.09120	13.0
167.07040	100.0
168.07422	3.5
171.08035	1.8
175.07567	11.0
177.05486	2.6
177.09103	2.3
178.06242	1.7
181.04892	2.2
189.09108	7.5
191.07085	2.4
192.07777	1.3
193.08601	36.4
193.10371	1.8
195.10231	1.3
199.07616	1.6
205.08603	3.4
209.08133	4.9
211.09651	59.3
212.09976	2.1
217.08571	7.0
223.09682	5.3
231.10388	1.5
235.09647	14.5
247.02435	2.3
253.10825	5.8
259.09756	2.1
271.09750	1.5
277.10699	9.6
283.09763	2.9
289.10724	6.4
301.10767	3.6
313.11343	1.8
319.11752	2.9
329.13849	2.1
341.13892	4.8
342.14258	1.3
373.13394	4.3
373.18149	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	373.1494
Annotation	Syringin
Peak:m/z	Relative Intensity
53.03942	5.4
55.01875	3.2
57.03432	3.3
61.02937	5.6
67.05508	2.4
69.03426	12.0
69.07038	2.3
69.30299	10.4
69.30710	7.1
71.04995	5.7
73.02889	2.6
77.90871	2.4
79.05486	6.4
81.03412	12.7
81.07053	2.9
83.01358	7.5
83.05043	2.9
84.04526	3.9
85.02908	27.5
85.06529	4.6
91.05477	6.9
93.07067	9.2
95.04978	5.7
95.08601	2.5
97.02904	6.5
98.22578	4.8
103.05480	3.1
105.07040	8.8
107.04971	5.8
107.08665	4.1
109.02900	3.8
109.06525	6.0
113.06000	20.0
121.10159	4.7
123.04499	5.4
123.08110	6.0
127.03921	6.3
133.06500	4.7
137.05980	14.7
145.10114	3.4
147.04401	6.6
147.08124	4.5
151.03955	4.7
151.07574	5.4
151.11235	2.8
161.09604	7.9
163.07579	6.7
163.11118	2.9
165.09126	19.3
167.07042	100.0
168.07381	3.3
175.07613	17.6
177.05453	3.1
177.09145	3.3
181.04990	9.0
189.09100	16.0
191.07059	4.0
193.08600	49.7
194.08981	3.0
199.07515	4.7
205.08643	5.5
211.09647	97.9
212.10002	6.5
217.08574	15.4
223.09666	10.0
229.08496	3.7
235.09659	26.6
247.02316	3.3
253.10782	7.8
259.09732	6.1
271.09729	4.6
277.10776	16.2
283.09760	3.2
289.10553	12.6
301.10504	3.4
319.11929	4.3
337.12921	4.6
341.13965	7.2
373.13150	6.1
373.18091	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	373.1493
Annotation	Macrosphelide J
Peak:m/z	Relative Intensity
53.03944	3.6
55.01870	11.4
55.05489	3.5
57.03421	3.5
57.07074	18.0
61.02937	5.2
64.92022	2.8
67.05526	3.3
68.99809	4.1
69.03429	3.7
69.07066	3.1
70.86799	8.1
71.05000	3.5
79.05503	8.0
81.03418	7.6
81.07064	6.0
85.02909	27.4
85.06550	14.5
86.09716	10.5
91.05489	11.7
93.07040	4.7
95.04966	10.5
95.08615	4.1
97.06523	4.4
103.03967	10.9
103.05470	11.6
105.03400	9.7
105.07026	12.3
107.04966	18.5
109.02896	11.8
109.06534	6.8
115.05447	7.5
117.07011	6.7
121.02865	5.7
121.06504	5.3
123.04432	26.1
127.03943	5.2
129.06938	3.2
131.04964	9.0
131.08565	4.3
132.05753	6.5
133.06459	5.2
133.10138	4.7
135.04427	6.6
135.08058	9.1
137.06003	13.0
139.03905	12.6
145.06497	7.4
147.04385	43.5
147.08040	6.5
149.05969	6.8
149.09602	5.8
151.03889	21.0
151.07568	6.7
153.05507	3.7
155.03377	4.9
159.08069	3.7
160.05214	3.8
161.05974	12.9
161.09615	4.6
163.03947	14.6
163.07562	28.3
165.05493	13.9
167.07010	32.9
167.08345	3.8
171.07950	3.5
173.04677	3.1
173.06073	8.6
175.03938	17.4
175.07532	14.9
177.05417	8.7
177.09135	4.2
179.03421	14.2
179.07059	4.7
181.05017	4.4
181.08641	4.8
187.07576	5.5
189.05508	10.0
189.09132	13.2
191.03531	3.8
191.05486	3.5
191.07004	17.8
192.07835	3.9
193.05023	17.8
193.08578	5.1
199.07506	5.1
201.05423	5.6
201.09109	4.3
203.10683	6.6
205.05054	3.9
205.08617	30.5
207.06425	6.3
208.46559	3.1
211.07782	3.8
211.09714	21.7
213.05486	5.3
217.04968	9.9
217.08597	24.5
221.04379	5.2
222.11322	4.6
223.09630	72.3
224.10037	4.7
229.04984	7.1
229.08606	7.8
231.10164	8.4
235.06050	5.5
235.09630	100.0
236.10063	4.2
241.04886	4.4
247.02390	3.6
247.09683	9.5
249.11259	10.8
253.10722	67.4
254.10890	4.0
259.09738	10.2
271.09686	23.3
277.10724	96.7
278.11063	9.3
283.09683	10.2
289.10703	69.1
290.11127	7.3
297.11404	3.8
301.10590	33.7
307.11743	8.9
309.10919	3.4
319.11771	28.2
323.13052	4.8
327.12152	6.9
329.13916	9.1
337.12823	19.9
341.13989	16.3
355.15295	3.8
373.09186	6.8
373.13867	6.1
373.18298	86.2
379.89377	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.7
53.96731	1.4
54.11516	1.3
55.01872	2.1
58.62227	1.4
63.46053	1.4
65.03939	3.6
67.05505	1.4
69.03419	2.4
69.32707	9.8
71.01384	1.3
78.04712	1.5
79.05476	9.9
81.03406	6.5
81.07037	3.2
85.02910	3.7
86.99778	1.4
91.05466	8.6
93.07021	2.3
95.04970	2.1
95.08626	1.7
98.22651	2.6
103.05457	18.5
105.04499	1.2
105.07032	10.2
107.04948	100.0
107.08601	3.5
108.05299	3.0
109.02882	3.4
109.10134	1.4
115.05461	6.1
117.07032	3.7
119.04894	1.3
120.05732	4.2
121.06499	2.4
123.04448	5.7
131.04922	9.2
133.06468	2.5
135.08046	31.2
137.05948	6.4
145.07648	4.1
147.07996	1.3
149.05960	1.5
151.03902	13.7
153.05479	2.0
154.06233	1.4
157.10121	1.4
161.05986	4.1
163.07538	89.8
164.07944	3.8
165.05519	2.8
165.07062	2.3
167.07031	57.3
171.06516	1.4
180.07777	2.0
181.04951	35.1
181.08484	2.2
195.10152	46.8
196.10547	2.1
213.11200	2.9
219.10185	2.6
251.06955	3.3
295.09665	2.0
373.12628	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	373.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.6
55.01863	1.8
55.05511	1.4
64.10790	1.5
65.03943	1.8
65.09922	1.9
67.05518	2.0
69.93530	2.2
69.93931	4.3
79.05503	3.9
81.07047	3.1
83.05003	1.5
91.05482	20.8
93.07040	2.7
94.04173	3.5
95.04973	5.3
95.08588	2.7
97.06508	1.8
103.05463	6.4
105.07027	4.5
106.75606	1.5
107.04949	12.1
109.06519	2.6
109.10168	2.0
115.05499	2.4
118.04187	1.7
119.04925	10.1
121.06474	3.0
122.03641	8.5
123.04447	2.3
128.06221	4.1
129.06987	19.3
131.04948	4.7
131.08586	2.9
133.06514	2.3
133.10201	1.9
135.04366	1.8
135.08034	4.6
136.05235	2.4
137.05971	100.0
138.06306	4.0
145.10088	1.6
146.03645	2.3
149.05994	4.3
149.61583	1.5
151.03902	6.9
151.07545	51.1
153.05505	3.1
153.07030	1.5
153.45992	1.8
157.06494	19.6
160.05064	1.8
161.05942	11.7
161.09607	6.6
163.07568	12.9
165.06952	12.0
167.07077	7.8
167.08403	1.7
169.06491	2.1
174.06775	6.8
175.07532	7.9
177.05579	1.7
178.07791	9.9
179.08545	3.6
181.04903	4.7
181.06540	6.0
182.07291	4.1
187.07437	1.8
189.07463	3.8
189.09103	48.2
190.09615	1.8
192.09361	2.5
193.06450	10.7
193.10106	10.1
195.07982	2.9
196.08672	1.9
197.05925	2.2
197.09586	2.4
201.09076	2.3
203.08603	2.5
206.07295	2.5
209.05959	2.9
210.06726	11.9
211.07553	4.0
212.08211	2.2
213.09125	1.6
219.08098	2.3
221.06073	15.5
221.09622	16.3
221.11607	3.2
222.10011	2.0
223.07603	3.5
224.08255	5.5
225.09042	12.7
227.07132	2.5
235.07521	2.3
238.06261	4.2
238.09872	2.3
239.06996	2.7
249.08955	7.8
251.07001	2.1
252.07693	5.5
253.08566	11.1
253.12209	27.5
254.12639	3.1
255.06517	2.8
255.10184	2.2
267.10211	10.8
269.08188	5.0
270.08713	2.4
272.10324	3.0
281.08243	2.2
281.11685	11.5
285.11182	34.8
286.11627	4.1
313.10730	1.7
313.14276	22.4
314.14459	2.1
373.16296	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	373.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.2
67.05497	1.9
69.07072	1.0
70.20184	3.0
79.05502	5.1
81.07052	2.3
83.04961	1.8
85.72324	1.1
91.05489	5.8
91.09619	1.0
93.07028	1.1
95.04947	1.4
98.23257	1.5
100.11228	1.2
102.04691	1.5
103.05454	13.1
105.07031	9.9
107.04964	11.7
109.06563	1.2
110.91612	1.2
111.04456	1.6
115.05456	3.6
117.07063	2.4
118.04170	4.1
119.04972	1.9
119.08563	1.0
121.06506	2.7
123.04384	1.6
130.04182	3.9
131.04919	32.1
132.05681	2.4
133.06502	7.9
135.08023	1.3
137.05983	9.0
141.06989	1.9
145.06520	1.9
146.03516	1.0
147.04451	1.6
148.05199	3.2
149.05995	2.3
151.03889	2.1
151.07549	4.8
153.05464	2.1
155.08592	1.7
159.04451	3.7
160.05215	2.9
161.05954	15.2
163.07520	8.9
165.07022	3.7
166.07784	1.6
167.07042	16.3
167.08475	1.7
168.17561	1.3
169.06520	3.2
171.08153	1.2
173.05936	2.6
175.07538	30.9
176.04663	7.5
176.07855	1.4
177.05391	2.8
177.06927	2.0
177.09108	2.0
178.07800	4.2
179.08614	5.2
181.06451	2.2
181.08577	1.8
182.07242	1.6
183.08037	1.8
187.07544	1.6
189.06969	2.6
190.07739	2.5
191.07025	64.5
191.08452	3.7
192.07576	3.9
192.09285	2.7
193.08585	36.8
194.07326	6.3
194.08926	1.7
195.08022	3.8
201.09058	3.1
202.07814	3.0
203.08546	4.3
205.06543	5.0
205.10074	2.5
206.07190	4.0
207.08061	8.7
208.08696	3.0
209.06055	1.5
209.09663	4.7
210.06880	1.4
211.07597	3.8
217.06485	2.1
217.10156	1.4
218.07298	1.8
219.08043	6.9
219.10023	2.6
220.08748	6.7
221.06015	3.3
221.09602	3.4
222.06773	5.7
223.07510	4.6
224.08348	6.2
225.08960	2.1
231.08090	4.1
233.05956	2.7
233.09608	2.8
234.06697	4.7
234.10437	1.9
235.07512	9.3
235.11136	9.6
236.08247	2.7
237.09045	10.0
238.06181	1.5
238.09651	2.2
239.07040	6.3
239.10565	1.4
240.07837	1.3
245.09584	1.3
247.07552	5.2
248.08372	5.2
249.09174	8.8
250.06242	5.0
250.09525	1.6
251.07008	12.2
251.10648	2.7
252.07834	6.3
252.11433	2.0
253.08578	5.7
254.09416	3.5
259.07468	2.4
261.09232	2.0
262.09805	3.2
263.07129	8.4
263.10547	11.7
264.07703	4.6
264.11737	1.3
265.08582	15.5
266.09308	6.6
267.06583	3.8
267.10162	8.4
269.08365	1.3
269.11667	2.7
271.09546	1.7
276.07730	2.5
277.08533	5.2
279.06543	3.7
279.10187	4.8
280.07333	5.1
280.10934	4.9
281.08014	5.1
281.11682	4.3
282.08920	2.9
282.12021	1.2
283.09668	2.3
291.10083	8.8
292.10873	1.8
293.08066	5.2
293.11771	3.5
294.08902	1.8
295.09616	12.8
295.13196	3.8
296.10498	2.0
297.08096	2.1
297.11115	9.5
298.11942	2.2
299.09180	5.6
305.11569	2.2
307.09628	1.8
308.10419	12.4
309.11169	53.9
310.11798	16.1
311.09241	1.4
311.12521	3.3
313.10773	2.0
313.14243	3.3
314.11566	4.9
323.12762	14.5
324.13409	2.2
325.10742	1.8
326.11453	2.1
327.12234	13.4
329.13797	14.4
340.13074	1.7
341.13806	100.0
342.14301	9.4
355.15390	7.1
373.15915	23.7
373.19891	7.6
374.16537	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	373.1644
Annotation	Tetrahydrocurcumin
Peak:m/z	Relative Intensity
53.03937	1.8
54.07631	0.6
55.01859	1.2
55.05491	0.9
57.03427	1.7
65.03925	1.7
66.04715	0.6
67.05495	2.4
69.03432	1.0
69.07062	1.3
70.88309	1.1
70.88647	0.8
72.54736	0.6
79.05490	6.7
81.03395	0.8
81.07040	2.3
83.08634	0.8
90.04699	1.2
91.05477	12.9
92.05797	0.7
93.07034	2.1
94.04225	0.7
95.04959	2.1
95.08583	1.3
100.80878	0.5
103.05466	7.9
105.04504	0.7
105.06345	1.2
105.07021	15.9
107.04950	2.3
107.08584	1.4
108.05724	0.9
109.02859	2.4
109.06504	1.7
109.10139	1.2
115.05415	1.1
116.06232	1.0
116.30045	0.5
117.06981	0.8
118.03323	1.2
118.04153	17.2
119.04959	6.7
119.08570	1.0
120.05681	2.1
121.06487	3.4
121.10143	0.6
122.03662	0.7
122.07281	1.8
123.04510	0.6
124.05222	8.8
131.04950	1.5
132.05699	0.7
133.06482	23.2
133.96071	0.6
134.07231	1.9
134.21111	0.6
135.04401	3.5
135.08055	4.4
135.11644	0.7
137.05975	3.8
138.06274	1.0
143.08623	0.9
147.04404	9.6
148.05031	0.6
149.05949	2.3
150.06761	7.9
151.02664	0.9
151.03914	20.6
151.04994	1.5
151.07544	26.1
152.04257	0.7
152.07841	1.4
159.11674	0.6
161.05971	5.3
163.07568	2.4
165.05473	1.7
165.09109	12.9
166.09476	0.8
173.11856	0.9
174.98024	0.6
175.07565	0.7
177.09059	0.6
179.07025	4.4
180.07811	3.6
181.04974	3.2
181.08499	0.6
182.08920	1.1
193.08597	100.0
194.09108	6.2
195.10136	2.0
196.10445	1.0
204.11031	0.8
221.11696	2.3
297.07565	2.5
325.07016	0.8
325.10840	1.5
340.09201	1.1
348.52588	0.7
355.11621	8.4
363.16226	0.6
373.16162	0.9
373.27756	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	373.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	6.3
55.05504	12.0
57.07073	6.5
59.04976	3.5
65.03927	9.9
67.05512	21.8
69.07063	15.0
71.08637	7.2
79.05482	13.3
81.07051	22.5
83.04962	5.7
83.08614	7.9
85.02937	5.8
91.05481	20.8
93.07040	15.1
95.04993	7.6
95.08588	27.3
97.06548	4.7
97.10149	4.4
103.05466	12.6
105.07023	19.2
107.04971	5.5
107.08606	13.9
109.06514	6.6
109.10147	10.9
110.03677	3.3
111.04449	5.7
118.05011	3.6
119.04957	6.7
119.08560	15.7
119.23836	3.2
121.06497	3.5
121.10114	8.4
123.04414	4.6
123.08060	4.5
123.11713	4.5
125.05977	8.5
129.06976	8.2
131.08548	9.1
133.06509	7.7
133.10141	15.6
135.11684	11.7
137.05951	19.2
137.09656	4.6
141.06996	4.0
145.06483	6.8
145.10164	4.9
146.07297	4.2
147.04424	8.2
147.08054	5.6
147.11670	4.9
149.05913	3.3
149.13374	3.8
151.03920	74.7
151.04994	5.3
151.07521	26.3
153.05453	4.2
157.06522	11.3
159.08054	14.8
159.11751	4.7
161.05949	6.8
161.09589	8.2
161.13274	4.5
163.07512	6.8
163.14871	4.0
165.05528	4.8
165.06967	5.4
165.09097	4.8
167.07043	7.3
169.10071	3.2
171.06506	3.8
174.06790	5.0
175.07549	7.1
179.07028	11.3
179.08524	5.1
181.04947	100.0
181.33563	3.3
182.05292	7.2
189.09044	20.8
189.16406	8.6
191.10638	6.2
192.07884	4.9
193.10106	7.2
195.08029	7.4
199.07617	4.6
205.06491	4.8
207.10127	5.8
207.17480	15.2
209.09610	5.0
217.08514	5.5
219.08116	7.8
219.10062	6.5
220.08812	8.4
221.09584	13.6
221.11739	16.7
223.07469	4.5
223.11143	7.2
224.08344	6.6
225.05400	4.4
225.09090	15.2
225.12750	4.3
227.07042	3.8
235.11154	7.5
237.09090	5.3
238.09857	8.8
239.10677	8.0
248.08374	10.7
249.09033	11.0
249.11325	11.9
252.11589	6.3
253.08546	7.5
253.12297	12.6
254.24803	9.2
255.10046	7.5
257.08154	6.4
263.10696	22.0
264.11194	6.4
265.08466	7.9
267.10068	3.5
271.05991	3.7
277.08682	3.7
280.10907	4.3
281.11658	23.0
283.09610	4.5
283.13382	3.8
285.07779	4.6
285.11206	10.1
285.14673	4.5
291.10220	18.2
295.13309	18.4
308.10413	9.3
309.11365	7.7
311.12833	5.2
313.14365	18.0
315.12152	4.5
323.12643	29.0
335.21979	3.5
341.13791	30.2
343.15262	11.4
355.15497	10.2
373.16449	19.6
373.27469	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	373.1644
Annotation	Aristelegin C
Peak:m/z	Relative Intensity
53.03948	2.3
54.02368	0.9
55.01872	1.4
57.35289	1.3
65.03922	3.0
67.05508	1.5
69.03441	1.8
70.45671	3.5
79.05492	11.1
81.03394	1.5
81.07047	2.3
85.02894	2.9
89.03928	1.5
89.26606	0.9
91.05486	14.8
93.03419	2.1
93.07055	2.0
94.04181	4.2
95.04962	4.9
97.02826	1.6
98.23357	1.1
103.05447	4.6
105.07032	10.0
107.04946	20.0
109.06516	4.4
111.04458	2.0
115.05443	3.8
116.06252	1.3
117.03339	1.5
117.07069	2.5
119.04954	5.5
119.08566	1.5
120.47166	1.0
121.06519	4.3
121.10121	1.3
122.03657	9.3
123.04444	2.4
123.40379	1.3
124.05223	2.3
125.05997	4.6
128.06221	2.6
129.06996	8.1
131.04924	4.2
131.08551	9.9
133.06487	8.0
133.10153	2.2
134.21887	1.1
135.04373	2.3
135.08049	1.5
136.05193	1.5
137.05972	100.0
138.06328	4.2
141.07002	1.7
142.84990	1.1
144.05679	4.6
145.06483	2.5
146.07243	1.7
147.04405	2.5
147.08047	2.1
149.05984	13.5
151.03917	7.4
151.07549	19.2
151.11186	1.1
153.05447	10.4
155.80721	1.2
157.06444	4.7
158.07201	1.5
159.08041	12.6
161.05991	9.4
161.09558	2.6
163.07562	3.9
165.05486	2.0
165.09079	5.2
167.07036	48.6
167.10664	3.9
168.07452	1.5
169.07742	1.7
170.07295	3.6
173.06006	1.2
174.06757	4.5
175.07567	6.8
176.04608	1.4
177.05481	1.7
177.09125	1.6
178.09891	3.1
179.07033	1.7
179.52855	1.0
181.04973	5.5
181.08623	4.1
187.07544	17.0
189.05432	1.9
189.09103	11.0
191.07013	3.9
191.10774	1.5
193.08620	4.4
193.12172	2.1
195.59200	1.0
198.06905	1.3
201.09131	3.0
202.07745	1.1
203.08537	2.2
204.07831	10.2
205.06621	1.2
205.08565	3.4
207.08173	2.1
207.10037	2.1
211.13280	12.2
219.08130	2.2
219.10139	13.1
220.08817	2.7
221.07939	2.0
221.11649	6.1
231.08150	2.1
231.10176	8.7
235.07584	2.3
235.09439	1.8
235.11421	2.1
237.09073	2.2
245.09688	1.6
248.08324	3.6
249.09059	1.7
249.11322	4.2
251.06973	1.8
252.07724	2.8
253.08424	1.3
254.09058	1.3
263.10605	7.4
265.08603	4.5
266.09381	2.0
279.10031	1.6
280.07208	1.2
280.10980	2.2
281.08124	1.5
283.09412	1.3
291.10056	4.9
292.10696	1.4
293.08002	1.7
295.10147	1.2
295.13229	4.6
299.09030	1.4
300.09937	1.7
307.09735	1.3
308.10373	1.7
309.11249	3.8
313.10770	6.4
314.11322	2.2
323.12830	8.9
324.13235	2.2
325.10742	1.5
326.11108	1.1
327.12326	2.5
335.73474	1.1
340.12955	3.1
341.13611	2.8
343.15384	2.3
355.11520	2.2
355.15408	20.3
356.15695	2.1
373.12598	1.2
373.16870	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	373.1647
Annotation	Aristelegin C
Peak:m/z	Relative Intensity
53.03951	2.6
55.05512	1.3
65.03952	2.8
67.05502	1.6
69.03424	2.3
71.31499	1.3
73.02882	0.9
79.05494	7.7
81.03429	1.9
81.07076	3.2
85.02924	2.2
85.06562	0.8
89.03947	1.5
91.05475	13.4
93.03418	3.6
93.07063	2.4
94.04196	2.8
95.04978	3.7
97.02888	1.3
97.06540	1.7
103.05473	3.4
105.07038	8.4
107.04961	16.5
107.08583	1.5
109.06529	3.2
109.10173	1.4
111.04462	3.0
111.08112	1.1
115.05471	3.1
117.03382	1.5
117.07034	2.5
119.04965	3.8
119.08575	2.3
121.06531	3.4
121.10235	1.1
122.03649	7.6
123.04475	2.3
123.08179	1.1
123.22850	1.0
124.05227	3.1
125.06025	5.2
127.13629	1.0
128.06250	1.3
129.06992	6.9
131.04936	4.0
131.08568	6.0
133.06473	4.9
133.10126	1.3
135.04407	1.9
135.08157	1.0
137.05977	100.0
138.06340	2.7
141.07004	3.3
143.08572	1.2
144.05708	2.3
145.06488	1.4
146.07275	2.7
147.04405	1.8
147.08054	1.8
147.11761	1.1
149.05997	10.1
151.03926	5.9
151.04919	0.9
151.07544	16.9
152.04543	1.0
153.05482	9.6
153.06746	1.4
157.06506	3.4
159.08049	10.0
161.06015	7.8
161.09589	1.9
163.03955	1.1
163.07553	3.2
165.05563	2.3
165.06868	1.0
165.09106	4.7
167.07047	42.8
167.10693	2.6
168.07480	1.4
169.07637	1.8
170.07289	2.7
174.06812	3.6
175.07503	6.6
177.05531	2.9
177.09111	1.6
178.09917	3.5
179.07085	1.1
181.04977	6.3
181.08554	4.8
187.07535	16.1
189.05431	1.4
189.09102	11.3
191.07100	4.7
191.08578	1.3
193.08609	4.6
193.12263	1.9
198.06805	1.1
201.09181	2.3
204.07762	8.0
205.08501	2.9
207.08287	1.6
207.10193	2.8
211.13283	12.1
216.07881	1.1
218.74512	1.1
219.08185	2.0
219.10141	11.4
220.08789	1.8
220.72095	1.0
221.08107	2.2
221.11652	4.9
222.06635	1.1
223.07611	1.6
231.10187	7.3
233.09639	1.5
234.06812	1.8
235.07562	2.0
235.09590	2.7
235.11545	1.6
237.09076	2.7
248.08289	2.7
249.11261	3.9
251.06964	2.7
251.10522	0.9
252.07935	1.9
252.11391	1.2
253.08542	1.8
263.10709	7.0
265.08630	3.5
269.08188	1.3
276.07776	1.4
277.08588	1.9
279.10165	1.1
280.07068	1.2
280.10922	2.0
283.09677	1.3
291.10272	3.6
295.09793	1.6
295.13354	3.9
297.11279	1.8
300.09818	1.9
309.11020	2.2
311.12888	1.2
313.10669	5.1
323.12738	8.7
324.13428	1.4
325.10681	1.2
326.11331	1.4
327.12405	2.5
329.13812	3.5
340.13129	2.8
341.13779	4.3
343.15466	2.1
355.11520	1.9
355.15353	16.9
356.15573	1.3
373.12640	2.2
373.17877	11.4
387.61804	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1643
Annotation	Tetrahydrocurcumin
Peak:m/z	Relative Intensity
50.62834	0.2
51.02382	0.3
51.04659	0.2
53.03946	0.8
53.22017	0.2
55.01871	0.6
55.05518	1.1
56.48073	0.3
57.03443	0.3
63.97291	0.2
65.03937	0.9
66.04729	0.3
67.05504	1.6
68.99776	0.3
69.03422	0.3
69.07068	0.4
69.93987	0.9
77.03933	0.5
79.05484	2.6
81.03405	0.3
81.07055	1.5
83.04988	1.1
83.08601	0.3
85.02901	1.1
86.33476	0.2
91.05477	1.4
92.02620	0.3
93.07040	0.9
94.04172	1.5
95.04963	1.1
95.08607	0.8
96.08965	0.2
98.22629	0.3
103.05461	0.3
105.04509	0.5
105.07019	0.9
107.04974	0.7
107.08583	0.7
108.02115	1.2
109.02872	0.5
109.06540	1.2
109.10157	0.6
111.04440	0.4
112.01597	0.3
119.04917	0.3
119.08620	0.7
121.02882	0.3
121.10149	0.3
122.03609	1.9
123.04428	0.4
126.03156	0.5
127.03955	0.2
128.06216	0.3
129.07011	1.7
131.04919	0.3
131.08548	0.9
133.10167	0.5
135.04427	0.3
135.11667	0.3
136.01527	0.3
137.05971	2.3
137.09665	0.2
141.05444	1.6
143.08522	0.3
145.06485	0.5
145.10121	0.3
147.04393	0.8
147.08051	0.5
151.03900	100.0
151.04970	6.8
151.07399	2.9
152.04236	3.1
155.07018	1.8
157.06468	1.3
158.07336	0.3
159.08047	2.1
161.05959	0.5
161.09633	0.5
163.07539	0.3
165.05463	65.3
166.05818	1.6
172.08824	0.7
173.06058	0.4
173.09648	0.3
174.06721	0.9
174.10368	1.0
175.07520	1.0
176.08345	0.7
179.10654	1.4
181.04932	1.8
187.07578	0.3
188.08331	0.5
189.09114	2.1
190.09840	0.9
191.10683	0.7
191.14188	0.3
193.12242	0.9
202.06296	0.4
203.07065	0.6
203.10661	1.3
204.11017	0.3
205.12236	1.3
205.80278	0.3
207.10216	0.5
217.08603	2.1
221.11697	0.3
231.10150	2.2
235.09628	51.1
236.10008	2.9
249.11201	30.7
250.11487	1.7
267.10086	0.3
283.09528	0.6
291.09940	0.3
293.07837	0.3
295.13226	0.3
297.11188	0.7
298.12051	0.6
300.13516	0.8
303.77094	0.3
312.13422	0.6
315.01657	0.4
325.10767	0.5
327.15717	0.7
340.12891	0.5
343.00787	0.5
355.11768	0.4
355.15427	0.9
358.03381	0.3
373.05609	0.6
373.16397	3.7
374.16782	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1644
Annotation	Aristelegin C
Peak:m/z	Relative Intensity
53.03934	1.1
54.03348	0.5
55.01867	1.0
55.05511	1.0
65.03933	7.4
67.05492	4.4
69.03410	1.9
69.20215	5.3
74.04247	0.5
79.05478	1.5
79.56673	0.5
82.00544	0.7
82.04187	2.1
83.05004	1.0
85.02899	5.0
91.05467	4.2
92.42316	0.5
93.03394	2.6
93.07044	1.0
95.04955	2.4
95.08640	0.7
97.06529	1.7
103.05474	3.2
105.04468	0.9
105.07000	2.4
107.04966	1.5
108.02091	2.3
110.03653	2.3
111.04420	1.8
115.05418	1.0
116.06301	0.7
117.06903	0.6
119.04932	1.4
119.08589	0.8
123.04413	0.6
125.05994	2.9
129.06972	2.5
131.04921	2.1
131.08582	3.8
132.05733	0.8
133.06471	1.3
137.05983	6.0
138.03104	1.7
141.05406	1.2
141.06976	0.9
142.02582	2.4
143.08495	1.2
146.07242	1.0
147.04399	2.3
151.03903	48.7
151.05000	4.4
151.07518	5.6
152.06247	0.8
153.05476	3.4
157.06476	2.8
159.08025	5.8
161.05986	0.7
161.09625	2.5
163.07510	1.3
165.07008	1.5
165.09087	1.3
166.02589	0.6
166.07895	0.6
167.07045	1.5
167.08472	1.0
171.06546	2.9
174.06764	1.9
175.07526	1.8
177.05510	0.6
178.07771	1.9
179.08493	0.9
179.10667	1.1
181.04945	100.0
182.05247	3.0
189.09062	6.6
191.08527	0.7
191.10669	3.9
192.07762	1.8
192.09378	1.2
193.06792	0.9
193.08563	3.9
193.10158	3.0
194.07417	0.7
195.07986	2.3
197.06010	1.0
202.07709	0.8
203.08635	0.8
203.10606	0.6
204.07802	0.9
205.06462	1.0
206.07277	1.5
206.09166	0.8
207.08051	0.9
207.10052	1.0
209.05940	1.1
209.09601	2.1
210.06815	1.2
211.07556	1.6
212.08295	1.1
214.06122	1.2
217.08582	1.6
219.10027	3.5
220.08754	3.2
221.09595	3.7
221.11746	4.9
222.10333	0.9
223.07585	1.5
224.08232	1.5
225.05531	1.0
225.09090	3.3
226.06197	0.7
227.06975	0.7
231.08087	1.0
235.11206	2.1
236.08136	0.9
237.09154	2.3
238.09845	2.7
239.07043	1.1
239.10635	2.6
240.07854	1.7
241.08572	1.5
242.05699	1.2
247.07610	1.4
248.08331	3.8
249.08990	2.8
249.11299	3.2
251.07048	1.3
252.11494	1.3
253.08607	2.5
253.12146	4.2
255.10204	2.3
257.08163	2.7
263.10666	7.8
264.10959	1.0
265.08548	3.3
266.09351	0.8
267.09982	0.8
268.10889	1.2
276.07846	1.0
277.08664	1.5
279.09952	1.3
280.10983	2.7
281.11630	5.7
282.56586	0.7
283.09698	2.0
284.10379	1.0
285.07932	1.1
285.11163	4.0
291.10114	5.9
293.08020	1.4
294.08920	0.8
295.13260	6.9
297.11172	0.6
299.12473	0.9
308.10440	1.6
309.11145	4.8
310.12186	0.8
311.12711	1.9
313.14285	7.9
315.12180	4.7
317.10388	0.8
323.12735	7.0
341.13785	10.4
342.13940	1.0
343.15411	2.8
355.15448	2.9
373.16354	8.2
373.27628	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1647
Annotation	Arctigenin
Peak:m/z	Relative Intensity
53.03947	2.1
55.01882	1.1
55.05500	2.0
62.65025	0.7
65.03927	1.5
67.05494	1.2
69.03426	1.4
70.98730	0.7
71.05004	1.0
71.39758	1.6
78.04717	3.8
79.05496	7.7
81.03415	2.1
81.07076	1.4
85.02936	0.9
86.09684	0.9
91.05486	10.7
93.07040	3.1
94.04210	1.1
95.04969	2.3
95.08612	1.3
97.06529	1.5
100.07581	1.3
100.11242	2.4
102.04666	1.6
103.05470	18.5
105.03394	1.6
105.04535	0.8
105.07030	15.6
105.75178	0.8
107.04255	1.3
107.04958	20.5
107.05677	1.1
107.08601	1.9
108.05769	2.0
109.06510	3.5
115.05457	3.2
117.07033	2.8
118.04142	5.9
119.04921	4.3
119.08589	0.7
120.05707	2.6
121.02886	2.9
121.06508	4.7
122.07302	1.7
123.04436	3.8
123.08042	4.6
123.70177	0.8
124.05189	2.0
125.00034	1.0
127.03857	0.9
127.07606	0.8
130.04138	3.0
131.04933	16.0
133.06500	13.2
134.03581	1.1
134.07330	1.1
135.04437	2.7
135.08061	8.4
136.05196	13.5
137.05991	12.5
138.79710	0.8
145.06432	1.6
146.03638	1.3
147.04416	4.1
148.05176	1.1
149.05995	10.8
149.09578	1.1
150.06763	7.3
151.03934	1.4
151.07549	12.9
152.08328	48.6
153.05479	0.9
153.08655	2.2
160.05193	0.9
161.06003	6.3
162.06721	3.2
163.07536	26.7
165.05534	1.6
165.09126	10.0
166.06284	4.0
167.07048	20.1
173.05968	0.9
175.07542	1.5
176.14308	1.7
177.05458	7.7
177.09131	2.3
178.06212	1.1
178.09875	2.0
179.07033	2.9
181.08617	2.3
182.15427	2.5
193.08607	32.0
193.12325	1.0
194.08902	1.0
195.10152	8.4
202.15887	3.3
205.08585	1.2
209.09807	0.9
209.11740	2.7
210.14935	4.3
211.09662	27.4
219.10095	1.3
220.16995	5.9
222.06664	0.8
228.15929	1.9
235.07642	1.0
237.09094	1.5
239.06825	1.2
247.02312	1.0
251.07210	1.1
252.07867	1.2
253.08688	1.0
263.10791	1.0
265.08578	1.2
267.10419	1.1
281.08276	1.3
281.11493	0.9
291.09937	1.0
293.07956	1.4
295.09729	2.0
297.11230	1.2
309.11090	1.1
313.11456	1.0
315.12366	1.0
323.12665	1.8
327.12317	1.4
329.13779	1.2
337.21161	1.5
340.09412	0.9
341.13843	100.0
342.14240	9.8
345.16937	2.3
355.22534	1.4
373.12613	1.7
373.17178	6.4
374.17276	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69899	0.3
53.03937	0.6
55.01875	0.4
55.88330	0.3
57.03424	0.5
57.06568	0.3
66.39855	0.3
67.05478	0.4
69.03409	1.0
69.40690	1.9
71.04978	0.4
71.74808	0.2
73.02911	0.3
79.05482	0.9
81.03423	0.4
81.07053	0.4
84.08125	0.8
85.02901	1.8
86.09738	0.3
91.05486	0.4
95.04977	0.7
97.02898	0.5
97.06516	1.0
99.08155	0.2
105.03390	8.1
105.07072	0.5
107.04938	0.4
109.02833	0.3
109.10156	0.5
110.35527	0.3
117.03360	1.0
119.08572	0.3
123.04444	1.0
127.03850	0.4
127.07487	0.3
129.10226	0.4
137.05974	0.3
141.01801	0.7
145.02872	2.4
149.05922	0.3
149.09680	0.4
149.13268	0.3
150.09128	0.3
161.05966	0.3
163.03964	0.3
163.07558	0.5
167.07048	0.6
167.15810	0.3
177.05482	6.1
179.07008	3.7
193.08618	0.3
193.12044	0.9
194.08061	0.3
195.06485	3.2
195.10165	0.6
197.08118	0.6
203.05249	4.4
211.13100	0.6
222.11206	0.4
277.03342	0.4
355.17038	0.3
373.18326	100.0
374.14227	0.5
374.18707	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	373.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65731	0.2
59.20422	0.2
60.03834	0.2
65.17538	0.2
67.05505	0.3
68.32082	0.2
69.03432	0.3
69.07072	0.3
70.06579	0.2
71.04578	0.2
71.04975	0.3
71.34669	0.2
72.08144	0.3
79.05496	0.4
81.03384	0.2
81.07043	0.3
84.08121	0.2
85.02905	0.4
86.09702	0.4
91.05462	0.3
95.04955	0.4
97.02898	0.4
97.06511	0.7
103.05466	0.3
105.07023	0.3
107.04967	1.6
109.06480	0.3
121.06479	0.2
121.10181	0.3
123.04440	2.6
124.07612	1.1
131.04880	0.2
135.04395	0.4
135.08040	0.4
137.02403	0.3
137.05971	0.6
138.09213	0.3
147.04422	0.6
149.05966	0.5
150.09142	1.7
151.03891	0.5
153.05524	0.3
158.74416	0.2
161.06049	0.2
163.03886	0.4
163.07516	1.3
165.05533	0.3
165.09186	0.3
167.07008	1.2
168.07759	0.2
175.03963	0.3
175.07581	0.8
177.05486	2.4
177.09091	0.6
179.07048	0.2
189.05428	0.3
193.12022	0.4
195.10197	0.6
203.05289	0.9
204.10245	0.6
205.05020	0.8
206.65158	0.2
211.09613	0.3
211.13005	1.3
212.10802	0.3
212.12708	1.1
217.04988	0.5
222.07680	1.4
222.11244	2.9
225.20491	0.2
234.07597	0.3
234.11159	0.2
247.02226	0.3
279.89474	0.2
301.12561	0.4
311.08972	0.4
329.15564	0.3
343.17303	0.3
356.14948	0.6
373.18323	100.0
374.18958	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.2
57.03445	0.2
60.26200	0.2
67.05511	0.3
69.03419	0.4
69.07071	0.2
69.46458	1.3
69.72646	0.2
72.80148	0.2
75.86563	0.2
79.05472	0.2
81.07051	0.4
85.02900	0.3
85.06536	0.3
86.09694	0.3
91.05473	0.4
95.01362	0.2
95.04968	0.5
97.06535	0.2
100.11243	0.3
103.05457	0.3
105.03402	1.7
105.07022	0.4
107.04957	0.7
111.41682	0.2
115.05451	0.2
119.08595	0.2
123.04443	0.5
124.07585	0.5
126.89208	0.2
131.04962	0.3
135.26221	0.2
137.05977	2.8
147.04453	0.2
150.09126	0.2
151.03923	0.3
161.05954	0.3
163.07544	0.6
167.07016	0.9
175.07596	0.7
177.05399	0.2
177.09142	0.4
179.03387	2.3
179.06999	0.5
179.08459	0.2
180.03865	0.2
182.15417	0.2
191.07042	0.7
193.12021	3.2
194.12335	0.2
197.08098	0.2
203.05295	2.9
205.08598	0.3
211.13052	3.1
211.15028	0.3
212.12912	0.6
223.09514	0.3
235.09714	0.5
253.10696	0.3
277.10666	0.4
283.09653	0.3
289.10696	0.4
295.09671	0.2
301.10931	0.2
327.12170	0.3
329.15436	0.4
338.21680	0.2
341.09952	0.2
341.13837	0.9
342.14307	0.2
355.15457	0.2
373.18320	100.0
374.18686	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	373.1831
Annotation	17beta-(Acetylthio)estra-1,3,5(10)-trien-3-ol acetate
Peak:m/z	Relative Intensity
59.05353	0.5
59.23325	0.6
69.03419	1.3
69.40680	1.1
69.41094	2.2
75.41516	0.5
77.15376	0.4
79.05480	0.5
80.07603	0.5
81.03433	0.5
85.02914	0.8
105.03365	2.9
145.02885	1.6
155.07030	0.5
177.05443	4.0
179.07027	1.4
193.12061	1.3
195.06572	1.6
195.26411	0.5
197.08136	0.5
201.03755	0.7
203.05276	5.1
240.66498	0.5
355.17169	0.5
373.18317	100.0
374.18668	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	373.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70443	0.6
53.03936	1.5
55.05501	1.0
56.42319	0.6
59.05000	0.7
65.03937	0.8
67.05468	0.9
69.07068	0.7
69.17424	3.1
69.17848	2.1
78.31892	0.5
79.05483	2.6
81.07055	0.8
91.05476	4.4
93.07029	1.1
94.04213	1.0
95.04959	1.2
95.08584	0.8
96.05768	0.9
98.22526	1.1
105.07024	2.0
107.04960	5.1
108.05711	4.0
109.06519	1.8
111.86669	0.6
115.05425	0.6
117.06995	1.4
119.08611	0.7
121.06491	3.7
121.10119	0.9
122.03632	1.0
123.08083	0.7
124.05233	3.7
131.08578	1.1
132.05688	0.9
133.06543	1.6
135.04408	2.9
135.08060	1.1
135.11646	0.7
136.05190	7.7
137.05934	1.8
138.06754	4.7
139.07544	19.0
144.05704	0.8
147.08044	2.4
148.08798	2.5
149.05986	1.7
149.09502	0.6
150.06757	2.8
151.03984	4.0
151.07535	100.0
152.07870	4.6
155.06996	1.4
159.08049	1.0
160.08833	1.5
161.06047	0.7
162.06757	1.4
163.07556	1.5
164.08325	5.8
165.05469	28.6
165.06552	1.1
165.09113	17.3
166.05826	1.1
166.09442	1.3
167.03410	0.6
167.07031	15.7
168.07326	0.9
171.08096	0.7
176.08330	3.5
177.09038	1.0
179.03516	0.7
179.10661	30.4
180.11020	1.2
181.04897	3.1
186.10429	3.4
187.07571	1.9
189.09085	1.4
191.10655	5.8
192.11008	0.8
193.08662	1.1
195.10179	2.0
202.09860	6.9
203.10391	0.8
217.12219	21.6
218.12621	1.4
235.13269	48.0
236.13654	2.8
241.08614	0.9
272.06586	0.9
273.07196	0.9
287.09033	2.2
297.07483	1.3
300.06415	1.2
315.08496	3.2
325.06989	0.9
327.08578	1.3
328.05841	3.1
328.09357	1.2
329.10165	1.1
339.08554	1.2
340.09357	6.1
341.10052	0.9
343.08099	22.2
344.08389	2.3
355.18954	3.2
356.19397	1.1
357.09607	2.9
358.10394	10.9
359.10855	1.5
373.12811	45.3
373.20267	1.7
374.13098	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	373.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03912	1.0
67.05502	1.1
68.56581	0.5
69.07064	1.0
69.46571	0.6
71.05009	0.7
77.90466	0.6
79.05481	2.4
81.07030	1.1
83.18433	0.6
84.90714	0.6
91.05486	6.4
93.07028	2.0
94.04200	0.9
95.04989	1.8
95.08582	1.2
103.05461	1.1
105.04518	0.7
105.07043	3.3
107.04957	5.1
107.08600	0.7
108.05733	2.6
109.06522	1.6
115.05383	0.9
117.07009	1.4
118.04179	0.8
119.08574	1.9
121.06524	3.9
122.03676	0.8
123.02946	0.6
123.04446	1.2
123.08051	0.9
124.05222	3.7
125.05986	0.8
131.04976	1.0
132.05685	1.6
133.06477	1.2
133.10103	1.2
135.04373	3.1
135.08060	1.7
136.05200	9.7
137.05957	1.0
138.06776	6.1
139.07542	11.8
147.08063	4.4
148.08792	2.6
149.06001	2.1
150.06760	1.7
151.04028	3.7
151.07542	100.0
152.07899	3.3
159.08069	0.9
160.08852	0.7
161.06000	1.0
162.06741	0.9
164.08336	8.0
165.05478	15.8
165.09114	11.8
167.07045	10.6
176.08328	3.0
179.10669	44.3
180.11024	2.6
181.04959	6.3
181.08551	0.8
186.10413	2.0
187.07562	1.7
189.09178	0.6
191.10677	5.7
192.11024	0.8
193.08574	0.7
195.10126	1.5
202.09906	5.7
217.12251	14.1
218.12538	1.1
235.13277	33.5
236.13588	2.5
313.14267	0.8
355.19000	2.1
373.16302	1.6
373.20230	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.222
Annotation	Blumenol C glucoside
Peak:m/z	Relative Intensity
55.05530	2.7
65.03925	1.9
67.05507	3.2
69.03427	2.1
78.04702	3.4
79.05486	7.5
81.03404	2.9
81.07061	4.6
83.04961	2.3
85.02901	1.9
91.05435	12.8
93.07037	7.2
95.04980	3.7
95.08604	4.9
98.22606	6.1
99.13591	2.0
102.04696	2.7
103.05463	17.7
105.07014	17.5
107.04950	15.6
107.08590	5.6
108.05851	2.3
109.06532	4.5
109.10153	10.9
111.39091	2.4
112.07646	1.9
112.61949	2.0
114.62830	2.1
115.05479	5.9
117.07087	2.4
118.04167	5.1
119.04948	8.2
119.08579	5.5
120.05697	2.3
121.06524	5.9
122.26116	2.0
123.04414	10.2
123.08097	2.8
125.06015	2.4
127.07470	2.0
130.04205	3.5
131.04921	26.8
131.08601	2.4
133.06480	15.3
133.10106	3.5
135.04401	2.6
135.08138	2.7
135.11716	11.2
136.05269	6.3
137.05988	27.4
139.03902	4.7
141.06935	2.3
145.06482	4.4
145.36021	2.0
147.04385	10.2
147.07994	2.2
149.05919	12.1
150.06734	4.7
151.03920	20.3
151.05025	3.2
151.07544	11.2
151.14827	3.0
152.08324	23.5
153.05467	4.9
153.08768	2.7
159.08058	2.4
160.05159	3.6
161.05974	11.6
162.06702	4.1
163.03970	3.1
163.07562	14.6
165.05511	5.0
165.06969	2.2
165.09142	6.3
166.06305	3.0
167.07030	27.7
173.05997	2.9
175.07538	21.5
175.14821	4.4
176.04732	4.8
177.04137	2.1
177.05406	11.8
177.09030	2.4
178.06174	2.2
178.07800	2.8
179.07031	4.3
181.04947	7.5
181.06451	2.7
181.08626	3.7
187.07561	2.5
191.07021	25.8
191.08495	3.4
192.07787	3.2
193.08597	32.7
193.10168	4.3
193.15871	8.7
194.07109	2.6
195.08124	4.2
201.05435	2.3
201.09084	2.9
203.08560	3.7
205.06668	3.1
205.08569	2.9
207.08054	5.3
209.09639	3.7
211.07756	4.1
211.09659	16.2
211.16876	5.3
219.08185	2.8
219.10130	4.3
221.06041	3.6
221.11755	7.8
222.06802	2.9
223.07661	2.7
224.08459	2.5
225.09082	2.3
233.05942	2.4
234.06741	3.6
235.07520	9.5
235.11214	4.2
236.08151	4.3
237.09000	5.4
238.05994	2.1
239.06741	4.5
248.08313	3.5
251.07053	6.4
252.07834	5.1
253.08672	6.0
263.06952	3.3
263.10547	2.7
264.07800	3.4
265.08524	6.9
266.09186	3.5
267.10187	5.7
269.08084	2.4
275.77606	2.1
277.08609	5.3
279.10052	2.4
280.07190	2.3
281.11804	5.5
283.09601	3.2
293.11536	2.5
294.08752	2.9
295.06482	2.6
295.09708	11.5
295.13089	4.1
297.11200	7.2
299.09128	4.0
308.10461	4.4
309.11111	25.2
310.11960	4.4
313.11057	2.6
314.11737	2.5
323.12714	7.0
324.13422	2.6
325.10779	2.3
327.12350	13.1
329.13715	9.3
341.13843	100.0
342.14270	10.4
343.11682	2.4
355.15289	10.7
373.06433	2.8
373.12549	5.6
373.16867	18.6
373.79095	2.3
390.86551	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	373.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	5.4
53.11131	2.9
55.05507	9.7
58.45236	2.9
59.89257	2.9
60.39246	2.8
65.03922	4.7
67.05507	18.4
69.03436	12.5
69.07074	12.4
71.04994	10.4
71.36158	6.0
77.03963	3.1
79.05487	17.7
81.03431	13.5
81.07055	29.5
83.04992	10.5
85.02907	12.7
87.53310	3.1
91.05473	17.9
93.07049	16.0
95.04993	10.3
95.08590	41.6
97.02905	5.0
97.06544	5.5
99.04491	5.1
99.08104	5.1
103.05453	25.8
105.07027	20.1
107.04951	100.0
107.08593	26.3
109.02858	3.7
109.06533	9.4
109.10149	72.9
110.10507	3.4
111.08106	3.8
115.05480	4.0
117.07004	3.5
119.08576	34.7
120.05772	4.8
121.06506	6.2
121.10135	14.7
122.03630	5.4
123.04414	7.4
123.08044	21.6
123.11713	7.0
127.03917	6.2
131.04930	18.1
131.08604	4.7
133.06499	5.4
133.10098	18.6
135.08070	25.9
135.11678	77.0
137.05977	60.7
137.07001	4.6
137.09612	11.5
139.03934	3.1
141.09109	19.2
145.10059	3.5
147.11705	2.9
148.83656	3.2
149.05974	8.5
151.03914	5.2
151.07587	8.5
151.11197	9.3
151.14841	6.1
153.05461	3.7
161.05995	12.2
163.03880	36.5
163.07535	89.6
163.08878	5.5
164.07884	3.3
165.05498	6.6
165.06944	4.5
167.07033	67.9
174.06763	3.1
175.07556	8.1
175.14815	32.5
177.05434	6.2
179.07057	3.6
179.08534	3.6
181.05003	11.1
181.08627	12.9
189.09125	3.2
191.07054	6.3
193.08633	12.3
193.12292	4.8
193.15869	47.1
194.16145	3.6
195.10133	44.3
211.09596	6.5
211.16933	36.6
213.11092	3.9
219.08109	4.0
247.02348	7.1
249.08989	3.5
258.05756	3.2
265.08679	5.9
297.11115	4.6
313.11395	6.7
323.12823	6.1
327.12131	6.9
341.13837	16.0
355.15491	7.5
373.09122	4.7
373.13589	12.4
373.18451	16.7
398.36346	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	373.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85807	0.8
53.03924	1.9
55.05504	1.5
57.07074	4.5
67.05510	1.9
69.07086	0.8
69.11760	7.5
73.22994	0.7
79.05499	11.5
81.07056	98.6
82.07391	2.7
85.06540	1.9
91.05475	2.4
93.07047	2.8
95.04984	1.3
95.08582	1.4
105.07013	1.5
107.08559	1.9
109.06558	1.7
109.10159	1.6
119.08573	0.9
119.28192	0.8
120.44574	0.9
121.06530	1.4
121.10109	1.7
123.08155	0.9
131.08598	1.1
133.10156	1.2
134.01625	0.8
134.65904	0.9
135.07983	1.4
135.11691	1.7
136.11232	1.1
139.07526	1.0
139.11201	0.9
147.11664	0.9
149.09625	2.9
163.07498	1.6
167.07014	1.1
177.09109	1.8
177.12601	0.8
179.10579	0.9
181.43559	0.9
183.06328	0.7
189.09137	1.1
191.06998	1.0
191.10681	3.5
191.12263	0.7
192.11433	2.2
194.71971	0.8
197.20247	0.8
205.08594	4.5
205.12167	5.5
219.10121	4.5
219.13629	1.0
220.10934	3.7
229.15823	0.8
233.11728	1.9
237.14822	1.3
245.11754	3.5
247.13235	1.1
247.16974	3.0
257.15451	1.7
260.14139	4.0
265.14404	3.1
275.16422	23.8
276.16678	1.7
293.17468	100.0
294.17734	7.6
358.12439	1.2
360.61658	1.0
371.13025	0.9
372.14059	1.8
373.14542	18.1
373.23712	40.5
374.15399	5.3
374.24130	3.5
374.33997	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2582
Annotation	8,8a-Deoxyoleandolide
Peak:m/z	Relative Intensity
51.19127	2.5
53.03944	3.1
55.01872	3.1
55.05504	27.1
57.03440	3.6
57.07068	6.8
65.03931	3.1
67.05505	68.8
69.07068	52.2
71.04980	4.5
79.05491	29.0
81.07057	100.0
82.21790	2.5
83.04977	6.3
83.08615	16.8
85.06525	4.6
91.05483	11.1
93.07037	47.8
95.04974	3.4
95.08602	75.0
97.06522	17.6
97.10173	10.2
98.22572	4.1
103.05540	2.5
104.36317	2.1
105.07024	12.5
107.08578	29.5
109.06519	4.4
109.10156	36.5
111.08153	5.4
111.11720	2.9
119.08542	12.6
121.06562	3.0
121.10146	27.5
123.11723	13.8
123.60740	2.3
125.12391	2.3
129.06992	2.8
131.08588	8.6
133.10146	15.2
135.11705	33.6
137.05948	6.3
137.13272	6.2
139.11182	5.9
145.02846	4.3
145.10117	7.6
147.11726	7.1
149.13260	8.7
151.03908	3.9
151.07579	2.6
153.12711	16.1
157.12126	3.4
159.11700	5.2
161.13275	9.1
163.11168	3.2
163.14778	3.7
165.12766	5.2
173.13321	4.0
175.07538	2.7
175.14839	3.5
177.05463	3.5
181.04956	5.2
181.12234	3.4
187.14954	2.7
201.05429	3.2
211.14760	2.7
214.61317	2.4
217.14360	42.9
242.22359	2.5
243.21028	12.9
260.02396	2.6
261.22104	24.2
262.22299	2.8
279.23135	18.4
280.23581	2.7
280.85757	2.5
323.22177	36.7
341.23270	11.3
345.60007	2.3
373.27405	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	373.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07074	6.5
71.34537	8.9
74.70045	6.9
81.07045	31.5
95.08575	10.3
109.10178	10.4
121.10130	16.5
137.09589	10.2
137.13220	13.9
139.11174	23.9
149.09554	9.7
150.10294	9.5
167.10686	16.8
209.15326	8.7
235.13216	13.7
237.14806	100.0
255.90091	7.2
290.36462	7.5
355.69031	7.7
373.27304	56.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	4.3
57.07059	2.1
59.04989	2.7
67.05501	18.7
69.03419	3.1
69.07053	8.1
69.31559	13.3
79.05492	7.6
81.07050	41.4
83.04953	3.8
83.08603	3.0
87.04462	3.6
88.07629	1.8
91.05467	2.8
93.07050	9.8
95.08599	16.3
96.23129	2.2
97.06504	9.7
97.10027	1.8
98.22594	3.1
105.07005	4.2
107.08582	9.4
109.10150	13.9
111.08073	6.0
119.08578	5.5
121.06486	1.9
121.10136	18.9
123.08047	3.0
123.11714	13.3
125.09631	10.5
133.10149	6.3
135.08017	4.1
135.11661	6.6
137.09602	19.0
137.13229	9.4
139.07521	2.1
139.11174	22.1
143.89166	2.2
149.09595	9.2
149.13289	3.9
150.10345	6.6
159.11681	2.2
167.10681	13.5
173.13264	2.0
179.10588	2.3
181.12360	2.1
191.14330	4.4
193.12253	2.0
195.10115	3.5
209.11790	2.4
209.15347	10.8
235.13306	16.6
237.14838	96.0
238.15170	5.3
249.14871	6.9
251.16368	3.2
317.21274	3.0
373.27332	100.0
374.27603	11.7
374.36499	2.2
377.49472	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	373.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.9
53.11911	0.6
55.05508	3.8
57.03426	0.8
57.07066	3.1
59.04989	2.3
67.05501	16.1
69.03430	3.5
69.07058	5.2
70.56165	1.2
71.04993	1.2
73.43126	0.8
79.05502	5.8
80.54615	0.7
81.07053	35.5
82.07399	0.9
83.04977	2.7
83.08606	2.4
87.04465	3.1
91.05482	2.1
93.07043	8.5
95.04933	1.2
95.08596	16.0
97.06512	8.5
97.10227	1.0
100.66602	0.8
103.08130	0.9
105.07030	5.2
107.08591	8.4
109.06490	1.8
109.10154	13.1
110.10453	0.9
111.08092	6.1
119.08579	3.3
121.06503	1.8
121.10133	21.1
123.08073	1.9
123.11711	11.2
125.05996	1.1
125.09620	6.7
131.08510	1.7
133.10149	3.4
135.08047	2.3
135.11694	4.7
137.09612	17.5
137.13261	13.2
138.09955	1.0
139.07558	3.1
139.11177	22.5
147.11679	1.7
149.09612	10.0
149.13272	4.1
150.10423	5.3
151.11209	3.5
153.09079	1.1
161.09592	1.8
163.11249	1.0
165.09113	1.5
167.10675	13.1
173.13217	3.7
177.09149	0.9
177.12715	1.3
179.10670	1.2
181.12175	1.4
189.12759	1.1
191.14293	4.2
191.17923	1.5
193.12247	1.9
195.10158	2.5
195.13902	0.9
207.13785	1.2
209.11794	1.7
209.15382	8.2
210.15770	0.7
211.83478	0.9
215.18054	0.7
221.15405	1.2
235.13268	17.1
237.14851	81.7
238.15179	5.3
246.27873	0.8
246.34578	0.9
249.14917	4.6
251.16423	3.7
303.19690	0.9
317.21161	2.8
355.26083	1.0
373.27350	100.0
374.27698	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	373.2735
Annotation	3-Oxo-chol-4-en-24-oic acid
Peak:m/z	Relative Intensity
53.15423	0.4
53.65609	0.3
55.01843	0.5
55.05511	2.1
57.03429	0.7
57.07074	1.8
59.05003	2.5
65.03938	0.4
66.01900	0.4
67.05502	11.5
69.03435	2.3
69.07065	5.1
69.75040	1.8
71.04966	1.2
73.43128	0.5
77.03876	0.4
79.05064	0.4
79.05486	5.5
81.07051	31.4
82.07365	0.9
83.04963	1.6
83.08625	2.3
87.04473	2.6
88.07606	0.5
91.05477	2.0
93.07047	8.2
93.07622	0.8
95.04950	0.6
95.08600	14.0
96.08919	0.6
97.06526	6.0
97.10133	1.1
99.04441	0.7
105.07017	3.2
107.04916	0.8
107.08586	7.1
109.06486	1.5
109.09443	0.7
109.10153	12.0
111.08064	6.0
111.11691	0.6
113.98705	0.4
115.78852	0.4
119.08568	2.7
121.06513	2.7
121.10141	17.8
122.10411	0.6
123.08073	2.0
123.11705	9.9
124.12023	0.4
125.05972	1.8
125.09615	7.0
131.08557	1.7
133.06480	0.4
133.07526	0.4
133.10159	3.3
135.08080	2.4
135.11690	3.2
137.08603	0.7
137.09605	12.8
137.12251	0.6
137.13240	9.3
138.13518	0.5
139.07542	3.9
139.11168	22.1
140.11526	0.9
143.08498	0.6
145.10086	0.8
147.08084	0.5
147.11702	1.2
149.08496	0.6
149.09616	8.4
149.13251	3.2
150.10416	5.6
151.07574	0.5
151.11180	2.3
153.09061	1.4
153.12723	0.6
158.10904	0.8
159.11682	0.9
161.09601	1.3
161.13266	0.4
163.11125	1.6
163.14767	1.1
165.09067	0.5
165.12753	0.8
165.16373	0.5
167.10669	17.0
167.14346	0.5
168.10921	0.7
171.11711	0.4
173.13269	2.0
174.10300	0.4
175.11183	0.7
176.12033	0.4
177.09073	1.5
177.12671	0.7
178.21339	0.3
179.10693	1.9
181.12218	1.6
189.12776	0.5
191.10675	1.1
191.14294	5.2
191.17874	1.2
193.12265	1.7
193.15849	0.4
194.12950	0.4
195.10161	3.6
195.13782	1.5
207.13759	0.9
209.11844	3.0
209.15361	9.8
210.15649	0.6
219.13792	1.1
219.17368	0.6
221.11688	0.8
221.15393	1.3
223.13258	1.1
223.17015	0.5
235.13277	8.9
236.13522	0.6
237.14836	78.7
238.15167	4.6
249.14824	3.4
251.16426	3.3
265.18066	0.6
303.23160	1.0
317.21100	3.6
355.26273	0.6
373.27344	100.0
374.23120	0.7
374.27686	10.8
374.36142	0.6
375.73132	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.8
55.01874	0.8
55.05515	1.2
57.03440	1.7
61.02926	2.5
67.05529	0.9
69.03426	4.7
70.06593	0.8
70.12029	0.7
71.04996	1.9
71.32250	0.8
72.08146	1.0
73.02912	1.5
76.69386	0.8
79.05493	1.7
81.03431	2.5
81.07079	0.9
83.05031	0.7
84.08146	3.3
85.02903	14.9
85.06552	1.3
86.09710	1.5
88.62328	0.7
89.03905	6.2
91.05489	1.5
95.04993	1.4
97.02901	5.4
97.06523	0.8
99.04463	1.2
103.80939	0.7
105.07068	1.6
107.04988	0.9
109.02878	1.3
109.10162	1.2
112.03963	5.2
117.03381	17.8
119.08576	1.2
121.06514	1.0
122.02348	0.9
127.03907	4.4
134.03658	1.5
135.04425	2.1
137.02367	1.0
137.05995	1.0
137.09711	1.0
140.03415	10.4
141.03717	0.9
145.02847	44.5
145.04976	3.1
146.03195	1.0
149.05994	9.5
153.05501	1.1
153.09171	1.1
163.03932	3.1
166.99564	0.8
167.07172	1.1
169.08632	1.8
175.02621	0.7
177.05466	100.0
178.05803	4.7
180.08759	1.1
181.04985	1.0
195.06528	48.8
196.06929	1.8
204.05687	0.9
213.11285	3.3
227.08546	2.4
233.08168	0.9
266.06622	1.7
266.12646	0.8
296.59323	0.8
310.15921	1.7
317.12158	2.6
374.10266	0.8
374.18643	26.9
375.16174	73.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31176	0.5
53.03930	1.2
57.03417	1.5
61.02912	1.7
63.02361	0.7
69.03420	4.9
70.06559	0.7
71.04990	0.7
73.02892	0.8
79.05473	1.7
81.03391	2.1
84.08131	2.2
85.02906	15.1
85.06557	0.8
88.23968	0.7
89.03905	5.3
91.03950	1.1
91.05468	1.0
97.02898	4.9
99.04436	0.8
105.07018	1.0
109.02880	1.3
112.03962	0.9
116.46429	0.7
117.02547	1.1
117.03374	15.2
127.03905	2.0
134.03624	1.4
135.04407	2.3
137.06042	1.3
140.03374	2.3
145.02838	44.5
145.04916	2.9
146.03178	1.9
149.05959	7.5
153.05450	1.3
162.03099	1.0
163.03899	3.9
177.05460	100.0
178.05812	5.2
180.08643	1.5
195.06519	41.3
196.06812	2.3
227.08496	1.6
273.70755	0.7
310.15842	0.8
346.49683	0.6
374.16879	2.1
375.16196	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	374.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84485	7.2
67.48102	8.1
69.76637	29.7
79.05469	18.3
81.65353	8.3
85.02881	10.1
90.05083	8.0
97.06483	7.8
105.07046	9.8
107.04943	66.8
110.32624	8.1
116.33569	7.9
135.08031	15.0
137.05975	17.0
163.07533	54.8
167.07016	35.4
168.07382	12.5
180.07748	20.8
195.10172	100.0
338.75839	8.7
375.10391	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	374.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17799	4.4
55.05513	18.8
57.07070	9.4
67.05505	18.6
69.07069	17.7
69.07754	5.3
69.07967	9.7
69.08375	29.6
71.05003	10.2
79.05505	14.3
81.07054	56.6
83.08633	15.0
85.06525	6.9
85.10172	4.6
87.04416	4.2
91.05491	12.9
93.07040	22.3
95.05043	4.2
95.08616	45.4
95.17957	4.2
97.02865	5.2
97.06536	7.8
97.10193	11.8
105.07037	17.4
107.08585	26.4
109.10195	10.1
119.08611	14.0
121.10152	19.5
129.09102	20.8
131.08609	6.7
133.10133	4.7
135.08081	4.6
135.11688	15.4
137.13242	28.4
139.11189	5.3
147.11702	16.9
165.12726	4.8
201.14856	100.0
201.16518	8.1
202.15511	6.4
315.15833	5.8
339.25479	11.4
346.27094	9.7
374.26697	97.6
375.26224	4.4
375.29861	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	374.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.6
57.07074	8.0
58.06575	1.3
67.05492	1.9
69.07059	1.2
69.32399	1.8
69.32807	2.9
70.06586	19.9
71.08627	3.1
72.08156	1.3
74.06099	0.6
79.05473	0.6
81.07053	1.3
85.10177	1.7
86.09700	5.2
88.07626	27.5
91.05463	1.1
93.07030	1.2
95.08605	1.9
102.09177	14.9
102.33671	0.6
105.07033	0.7
108.32222	0.6
109.10146	1.1
119.08601	0.7
120.08112	4.1
123.08028	0.7
132.10210	1.4
146.11784	1.1
150.11256	1.0
168.34590	0.6
185.13232	0.7
199.18047	1.4
227.17662	0.6
233.16550	1.1
311.04852	0.7
312.32565	43.4
313.32904	3.6
356.35223	3.5
374.36255	100.0
375.36581	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	375.0707
Annotation	Melinervin
Peak:m/z	Relative Intensity
53.12516	0.6
65.76398	0.6
67.05493	1.3
69.17030	5.6
81.07064	1.6
85.39744	0.7
91.05465	1.3
93.07046	1.0
95.08598	1.1
98.22287	0.6
105.07030	0.8
107.08628	0.9
109.10159	1.1
119.08549	1.0
121.10146	1.0
131.04903	0.7
133.10164	0.7
134.42047	0.6
141.10909	0.6
147.11684	0.7
161.13225	0.8
171.04427	1.8
173.05965	0.6
184.05107	0.8
187.03908	2.0
197.12817	0.6
199.03922	2.2
201.01968	0.6
201.05518	1.2
203.03377	0.8
205.04967	0.8
212.04689	0.8
213.16396	0.6
215.03452	4.4
218.02084	1.9
221.01328	0.6
225.01942	1.1
227.03403	2.4
228.33688	0.6
229.04926	0.8
230.05745	2.7
231.02933	0.8
243.02878	6.1
244.03490	0.7
245.04362	1.4
246.01587	2.2
253.01468	0.7
257.00821	1.9
257.04504	1.2
258.01288	0.6
258.05234	4.1
261.03940	6.4
269.00864	0.9
270.05362	0.7
271.02347	9.5
273.03961	2.0
274.01044	2.4
283.02255	1.6
283.99493	0.8
285.00430	1.1
285.03888	1.2
286.01276	1.2
286.04736	2.3
287.01840	0.7
289.03461	3.3
299.02032	3.9
300.02487	1.2
300.99887	0.9
301.03445	2.4
302.00571	13.7
303.01166	2.3
314.04099	3.0
315.01306	0.8
315.04871	1.1
316.02118	0.9
317.02893	12.8
327.01312	1.4
329.02847	3.2
330.00034	6.3
331.00800	1.0
331.04327	1.2
342.03671	20.6
343.04211	1.9
344.05313	2.1
344.98126	1.0
345.02390	19.3
346.02762	1.5
359.03989	1.9
360.04718	53.3
361.05045	3.8
365.81299	0.7
370.16080	1.2
375.07077	100.0
376.07425	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	375.1073
Annotation	6,8-Di-C-methylmyricetin 3,4'-dimethyl ether
Peak:m/z	Relative Intensity
53.03928	0.7
53.71738	0.6
55.01862	1.0
55.05499	1.4
57.03431	0.5
57.07075	0.5
63.89048	0.3
65.03933	1.1
67.05503	2.0
68.99783	0.8
69.03433	1.9
69.07090	1.0
71.05003	0.5
71.31816	0.6
77.01202	0.4
79.05503	2.0
81.03416	0.6
81.07057	1.8
83.04982	1.2
83.08593	0.4
85.06545	0.5
91.05479	2.5
93.03394	0.9
93.07021	2.2
95.04964	1.4
95.08598	1.7
96.08931	0.4
97.06549	0.7
97.81403	0.4
103.05422	0.6
105.07026	4.1
107.04950	1.3
107.08585	1.6
109.02882	0.6
109.06480	0.9
109.10168	1.4
111.04452	4.1
111.08062	0.5
113.09634	0.4
117.07019	0.6
119.08595	1.5
121.06511	1.0
121.10127	1.6
123.04433	0.7
123.08077	0.9
125.06084	0.5
125.09616	0.4
128.06189	0.6
129.06953	0.6
131.04927	0.6
131.08563	1.6
133.06497	0.9
133.10132	5.1
135.04431	0.8
135.08083	0.7
135.11719	1.0
137.05983	5.1
137.09599	0.8
139.03896	87.6
139.11176	1.2
140.04204	2.4
141.05441	0.5
141.07019	0.5
143.08539	0.9
145.06485	0.8
145.10089	0.9
147.08070	0.6
147.11758	0.5
149.05969	0.8
149.09608	0.7
149.13257	0.7
151.03911	6.7
151.05043	0.7
151.07558	1.6
151.11183	0.5
153.05478	0.7
153.09131	0.7
158.06970	0.4
159.07957	0.6
159.11636	0.5
161.05969	0.6
161.13133	0.6
163.04024	0.4
163.07533	1.1
165.05505	0.5
165.09132	1.3
167.03419	0.4
167.07060	1.1
171.08031	0.5
171.11621	0.6
173.05960	0.6
173.09561	0.5
177.05574	0.6
177.09152	0.7
179.07034	0.7
181.04918	0.8
181.08624	1.0
183.02881	0.5
183.10211	0.9
183.11740	0.4
185.05975	0.6
187.07486	0.8
189.05444	0.5
189.09142	0.5
191.06989	0.6
193.08568	3.6
194.09270	0.5
195.10178	0.4
197.06128	0.6
197.08035	0.7
201.05408	0.6
203.10689	1.0
212.04706	0.4
213.05225	0.4
217.04939	2.1
219.10309	0.5
221.11688	1.3
226.06204	0.8
227.07112	0.5
228.04211	0.7
229.04892	0.7
237.07536	0.8
237.14856	1.0
241.04932	1.5
242.05598	0.6
243.06557	1.3
245.87872	0.4
254.05667	0.6
255.06438	0.4
256.03644	2.7
257.04440	0.7
257.08148	0.7
259.02377	0.6
260.02527	0.4
261.07590	0.7
266.24780	1.2
269.04428	1.2
269.11737	0.5
270.05182	0.7
271.06000	7.2
272.06210	0.6
274.04694	3.0
275.05273	0.3
282.05240	0.4
283.06009	4.5
284.03198	3.9
284.06253	0.7
285.03949	0.5
285.07651	1.6
287.01990	0.4
289.07028	0.8
289.10468	0.5
296.06808	0.9
297.03909	1.3
297.07565	1.9
297.10861	0.4
298.04581	0.8
299.05481	16.2
300.05914	1.7
301.07153	0.6
301.10654	0.5
302.04199	2.2
311.05469	6.1
312.02722	1.6
313.03711	0.4
313.07007	2.0
314.07809	3.5
315.08548	0.5
315.12189	0.7
316.05850	0.9
317.06519	22.0
318.06888	1.7
325.07022	2.8
327.05026	7.4
328.05499	0.8
329.06555	1.0
330.03674	0.6
330.07291	0.4
331.07910	0.7
341.06552	3.0
342.07321	13.8
343.08020	2.0
343.11472	0.5
344.05249	2.3
345.06061	8.9
357.17038	0.9
359.07614	19.5
360.08270	7.5
361.08810	0.6
375.10727	100.0
375.17453	4.6
375.30402	1.3
376.11029	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	375.1436
Annotation	Vladinol D
Peak:m/z	Relative Intensity
50.96503	0.7
52.54441	0.8
53.03945	1.0
54.54391	0.7
55.01868	2.3
55.05507	2.7
57.03437	4.2
59.71377	0.7
65.03938	2.6
67.05505	4.0
69.03433	1.1
69.07052	2.1
70.70588	1.7
70.70924	0.9
71.01373	0.9
75.00789	0.7
79.05470	3.6
81.07043	3.1
83.04996	1.2
83.08612	0.8
91.05460	4.4
93.03400	1.1
93.07043	3.6
95.04955	2.1
95.08592	2.6
96.10087	0.7
97.06522	1.1
103.05460	2.8
105.07040	8.5
107.04990	4.3
107.08578	3.3
108.02105	2.7
109.10134	1.1
111.04453	2.5
115.05459	0.8
117.07024	1.8
118.04167	1.0
119.04895	0.9
119.08567	1.7
121.06490	1.4
121.10103	0.7
123.04425	2.5
124.05226	1.1
125.06001	5.2
129.07022	1.3
131.04892	1.5
131.08563	1.2
133.06473	5.1
133.10152	1.4
135.04419	2.3
135.08022	2.0
135.11662	2.2
137.02325	0.8
137.05977	14.2
139.03911	1.2
141.05487	2.6
143.08562	1.0
145.06485	2.1
145.10098	1.9
147.04382	1.6
147.08003	1.4
149.05988	2.4
150.06721	1.0
151.03905	100.0
151.04997	8.0
151.07472	4.2
152.04236	4.5
153.05479	3.2
157.04956	2.7
157.06407	1.1
159.08081	1.4
161.05988	2.4
161.09590	0.9
163.07533	2.8
164.08311	1.7
165.05478	1.6
165.09108	4.6
167.03394	31.7
167.04776	1.7
167.07028	10.6
167.08359	1.4
168.03752	1.3
171.08076	1.3
173.06030	2.4
175.07539	2.6
177.05403	1.3
177.09120	3.0
178.09798	1.9
179.07013	1.7
181.04967	2.4
181.08580	18.1
181.10088	1.5
182.08971	1.2
183.08006	0.9
185.09630	1.0
187.07684	0.9
189.09132	2.7
190.06300	1.0
191.06985	2.4
193.08603	4.6
195.06512	10.1
195.08165	1.3
195.10222	2.2
201.09122	1.0
203.10632	3.2
205.08624	2.7
211.09619	3.2
219.10233	0.8
221.11697	3.7
223.09598	2.5
227.10696	1.0
233.08095	3.9
235.07536	1.4
235.09630	8.6
251.09140	14.8
251.11774	1.0
251.12761	1.1
259.13351	0.8
269.11639	0.8
271.09445	1.1
272.82043	0.8
273.07523	1.2
297.11023	1.2
310.05194	1.0
311.12689	2.1
329.10471	1.9
329.13895	2.4
357.13367	1.9
357.17114	1.4
357.20862	1.0
375.10214	1.8
375.14401	5.3
375.18350	1.5
375.30518	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1437
Annotation	Vladinol D
Peak:m/z	Relative Intensity
53.03942	1.6
55.01874	1.4
57.03434	9.0
58.99474	0.8
61.36954	0.7
62.85449	0.7
65.03928	2.6
67.05508	5.0
69.03409	0.9
69.07061	1.0
69.20346	5.8
69.20757	1.4
69.71397	0.7
71.04932	0.8
77.93578	0.6
79.05492	2.9
81.07043	3.2
83.04987	0.8
91.05482	3.6
93.07039	2.2
95.04958	1.6
95.08594	1.7
103.05468	2.9
105.07017	2.4
105.66449	0.7
107.04945	1.5
107.08604	2.3
108.02084	2.9
109.02882	1.4
109.06512	1.4
109.10137	1.3
111.04442	2.1
117.06990	2.1
119.04944	1.4
119.08556	1.2
119.51444	0.8
121.06512	1.6
121.10104	1.0
123.04456	1.1
125.05991	8.2
128.06252	0.8
129.06982	1.6
131.04883	1.7
131.08560	1.8
133.06497	0.8
133.10150	1.7
135.04367	1.6
135.08139	1.0
137.06000	4.0
139.07654	0.7
141.05457	1.7
143.08586	1.2
144.52757	0.7
145.06474	3.3
147.04384	1.7
147.11714	0.7
149.05969	3.9
151.03906	100.0
151.05011	10.2
151.07410	3.4
152.04208	3.5
153.05521	1.0
153.09061	1.8
157.06523	1.4
159.08028	1.8
161.05995	0.8
163.07545	2.1
165.05449	0.9
167.07028	7.5
171.10156	3.2
171.11554	0.9
173.05949	3.9
177.05508	1.8
177.09149	2.3
181.05058	2.1
181.08586	30.9
182.08992	1.1
187.07652	1.1
189.09100	1.4
190.06224	2.2
191.07037	1.8
195.06529	18.7
196.07021	0.7
197.08090	0.7
201.05453	0.8
203.06796	0.7
205.08620	8.2
206.08992	0.8
215.06805	1.0
223.09695	1.6
233.08075	14.9
234.08617	0.8
253.12132	0.7
264.07809	0.9
296.10513	3.3
305.13470	0.8
307.09753	0.9
311.12747	10.0
312.13510	0.8
329.13803	5.4
330.14084	0.8
357.13269	7.7
375.14175	1.3
375.21603	1.7
375.25815	1.5
375.30588	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1438
Annotation	Isohydroxymatairesinol
Peak:m/z	Relative Intensity
55.01868	9.9
69.03432	1.6
70.63279	4.2
73.02914	59.9
79.05496	5.6
81.07069	3.4
91.05459	9.9
93.07044	2.5
94.04179	3.0
94.18961	1.7
95.04987	2.8
98.30833	1.7
103.05464	9.1
103.93116	1.9
105.07027	14.7
107.04945	4.7
109.06502	2.3
115.05466	5.0
117.07024	3.5
119.04947	4.6
119.08559	1.6
121.06489	9.1
122.03626	3.7
123.04405	3.8
123.08039	3.5
125.05979	2.7
130.83139	1.9
131.04887	9.7
132.05692	3.9
133.06514	15.2
134.03726	2.1
135.04341	2.8
135.08031	2.4
137.05971	62.3
138.06381	3.3
146.03612	3.9
147.04424	7.6
149.05931	14.1
151.03876	7.5
151.07553	17.7
152.05063	2.0
152.06218	4.9
153.05533	3.7
153.06985	6.6
160.05208	3.7
161.05968	59.7
162.06667	3.7
163.07539	7.5
165.05576	3.1
165.06995	8.9
165.09074	2.4
167.07057	22.4
167.08365	2.9
169.06552	3.4
175.07529	8.4
177.05508	6.0
177.09099	100.0
178.09445	3.9
179.07088	4.1
179.57674	2.0
180.05713	5.2
181.06511	10.9
181.08524	2.8
182.07341	4.0
191.07018	9.4
191.08592	2.2
192.07762	5.7
193.06526	6.7
193.08589	39.3
194.07269	7.0
194.08948	2.5
195.08162	4.3
195.10178	9.0
197.06010	10.3
197.09612	2.0
203.07104	2.4
203.10774	2.5
205.06627	2.3
205.08546	1.9
208.05214	7.3
209.05965	5.3
209.07993	4.1
210.06737	11.5
211.07573	8.3
212.08350	3.6
213.09079	7.2
219.04384	2.0
219.07993	2.6
221.05980	12.0
221.08026	3.9
221.11710	4.9
222.06749	8.1
223.07489	7.5
224.08278	3.1
225.05492	7.8
225.09047	13.5
233.08159	5.4
235.07536	2.7
236.04688	4.9
237.05353	4.4
238.06224	6.7
239.06987	4.5
240.07800	11.3
241.08630	7.9
247.07582	2.6
251.07059	8.2
252.07668	2.7
253.05054	6.2
253.08560	55.0
254.09045	6.2
255.06403	2.3
255.09990	2.0
258.08847	8.1
262.06485	2.0
267.06357	1.7
267.10089	2.6
268.07419	5.0
269.07751	2.2
270.08859	23.1
273.11209	27.0
277.08490	2.4
279.06393	5.0
279.09576	2.2
283.09665	5.9
284.10474	3.4
285.11197	38.2
286.11584	1.9
295.09616	6.4
297.11111	3.3
299.09207	12.0
309.11392	4.1
309.35803	2.1
311.09171	29.9
312.09219	2.2
315.08560	13.6
325.10690	18.3
325.14185	3.2
327.12152	4.8
329.14023	2.0
339.12143	7.5
343.11703	5.0
345.13354	14.8
357.09045	3.1
357.13293	43.8
358.05112	1.7
358.13693	2.3
375.14288	19.7
376.14673	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1649
Annotation	Dihydrosyringin
Peak:m/z	Relative Intensity
53.03954	1.3
53.52892	0.6
55.01871	0.8
57.03428	1.1
58.27794	0.6
61.02940	0.8
65.03900	0.7
69.03432	3.9
69.52428	4.1
79.05483	2.5
81.03394	1.3
81.07038	1.2
83.04958	1.2
85.02902	12.0
91.05471	10.2
93.07040	5.0
95.08583	0.8
97.02865	2.5
97.06477	0.8
105.07015	9.4
107.08589	15.5
108.87727	0.6
109.02859	1.3
109.06498	1.4
117.07066	0.8
119.08571	27.0
120.08921	1.1
121.06496	1.2
121.10131	6.9
123.04437	1.5
123.08024	1.2
127.03920	2.4
131.08568	9.1
133.10124	2.6
135.08028	2.6
137.09605	1.3
145.04968	1.7
147.08046	8.5
149.09610	11.1
150.10085	0.7
159.08061	3.2
165.09099	12.6
167.07056	1.5
167.10675	4.5
177.09097	9.7
195.10150	14.2
197.08145	1.3
213.11211	100.0
214.11639	6.5
261.22217	0.7
355.81241	0.7
375.16217	5.2
376.10049	7.2
395.19434	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.18
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.4
55.01866	2.8
55.05499	3.1
67.05487	2.4
69.07063	1.6
69.10145	3.6
69.10571	7.9
70.62072	1.5
79.05501	12.1
81.07048	6.4
83.08620	2.4
88.02728	1.0
91.05481	16.7
93.07030	4.9
95.04955	3.9
95.08588	3.2
97.10176	1.6
103.05453	9.9
104.06257	2.7
105.07037	23.5
106.07399	1.8
107.04955	24.3
107.08579	3.4
109.06549	2.0
111.04431	1.5
115.05431	18.3
117.07017	18.7
119.04916	3.9
119.08581	4.2
121.06504	9.2
121.10144	3.1
122.03613	1.3
123.04421	4.0
123.08080	3.3
124.05219	1.9
125.05967	1.6
125.09624	1.9
128.06210	12.6
129.06979	2.7
131.04930	4.6
131.08597	2.9
132.05690	5.7
132.55898	1.2
133.06491	15.7
135.04425	1.3
135.08028	5.6
137.05997	10.2
142.07843	1.6
143.04887	3.1
143.08560	16.8
144.05711	1.8
145.06476	15.4
145.10130	4.1
146.07278	6.7
147.04347	2.7
147.08044	6.2
148.08437	1.3
149.05963	4.7
149.09651	2.5
151.07535	11.4
152.04652	1.6
153.05473	6.4
153.06680	1.2
153.09145	1.9
159.08058	3.2
160.05197	6.2
160.08861	3.2
161.06001	11.4
161.09607	7.3
162.06767	10.8
163.03935	10.8
163.07542	10.9
165.05428	1.6
165.09088	2.5
166.06158	1.2
167.07031	28.7
167.08447	1.7
168.07266	1.5
171.08031	13.1
172.08853	1.9
173.06035	1.7
173.09537	1.7
175.07542	100.0
175.11046	12.2
176.07910	6.4
177.09109	12.0
178.06261	18.3
179.06996	2.1
179.10657	4.4
180.07759	1.9
181.05017	2.9
181.08591	25.9
181.10071	2.6
187.07596	2.3
188.08315	12.1
189.09047	1.9
191.10609	2.6
193.08621	29.3
194.09262	2.7
195.10150	25.0
196.10445	2.0
203.10660	76.9
204.11063	5.7
207.10165	2.0
208.08904	1.4
221.11725	29.4
245.13892	2.3
265.08618	1.9
281.08096	1.6
281.51321	1.4
297.11285	2.3
297.14673	1.8
311.12537	1.9
329.13828	8.9
331.15390	1.3
341.19562	2.9
357.16949	2.7
375.13739	2.8
375.17374	12.9
375.21432	7.0
377.42786	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.7
52.59645	0.7
53.03934	3.0
55.01872	3.5
57.03421	3.5
63.02375	0.7
65.03940	2.8
67.05492	3.2
69.03521	6.8
69.03920	1.9
77.03928	1.1
79.05492	12.0
80.06268	1.3
81.07041	1.7
85.02911	0.8
91.05480	37.6
93.03391	1.2
93.07049	6.2
94.04142	0.8
95.04971	6.4
95.08613	1.3
101.06635	0.8
103.05464	23.3
103.06114	1.6
105.04527	1.4
105.07029	21.1
107.04953	67.7
107.08604	2.0
108.05828	4.0
109.02855	1.5
109.06531	4.3
111.04410	0.9
115.05438	9.0
116.06258	1.6
116.38368	0.7
117.07037	7.4
118.04150	2.3
119.04945	31.1
119.08547	0.9
120.05727	1.1
121.06506	12.6
122.03677	1.1
123.04436	5.3
123.08075	7.8
125.05992	4.0
129.06992	1.3
129.98438	0.8
131.04938	10.2
131.08559	3.2
132.05673	0.7
133.06493	12.4
134.07239	2.5
135.04410	2.1
135.08052	23.4
136.05196	7.1
136.08382	1.4
137.02347	0.8
137.05977	15.9
138.03235	0.8
141.06990	2.2
144.05658	1.6
145.06496	3.7
145.07570	1.6
146.07249	13.3
146.61606	0.8
147.04411	9.8
147.08051	8.7
148.05193	1.9
148.08409	1.0
149.05998	7.0
149.09547	0.9
150.06773	7.6
151.07536	90.8
152.07904	2.5
153.05453	12.0
159.08046	9.2
161.06010	4.2
162.06767	15.3
163.07538	70.9
163.60411	0.7
164.04657	2.2
164.07896	3.6
165.05443	5.7
165.09113	19.3
167.06999	3.3
169.06474	1.0
169.08611	2.5
176.04655	3.7
177.09122	9.8
178.06316	3.0
178.09885	70.7
179.07027	100.0
179.10341	6.5
180.07346	6.1
181.08589	15.7
181.10101	1.2
187.07532	31.6
188.07886	1.7
189.09096	3.4
191.07030	33.4
191.10609	1.0
192.07391	1.4
193.08601	21.9
194.09396	7.2
195.10121	0.9
197.08078	37.0
198.08423	1.6
204.07770	4.0
205.08606	9.5
207.10129	1.3
219.10164	19.3
220.10521	0.8
223.09656	31.9
224.09938	1.8
228.37790	0.9
237.11205	15.1
329.13843	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	375.1802
Annotation	Kobusinol A
Peak:m/z	Relative Intensity
53.03948	5.8
54.89475	2.7
55.01852	6.8
55.05503	11.1
59.05011	3.9
65.03930	5.2
67.05219	3.3
67.05510	39.6
69.03438	7.7
69.07060	15.0
71.04994	9.0
79.05494	21.6
81.07056	26.6
81.99422	3.1
83.04993	6.1
83.08625	8.0
85.06535	6.0
91.05476	23.5
93.07048	20.1
95.04958	17.6
95.08609	14.1
97.10176	5.6
103.05470	9.7
105.07030	34.3
107.04958	42.4
107.08585	13.8
108.05250	3.0
109.06480	7.6
109.10160	30.8
111.04436	8.9
111.08066	4.4
115.05463	7.6
117.07039	9.2
119.04951	8.8
119.08595	16.8
120.76343	3.3
121.06519	10.9
121.10142	10.0
122.03645	8.7
123.04427	15.3
123.08062	5.4
123.11690	4.9
125.05995	8.0
125.09602	3.6
125.21812	2.9
129.06995	4.9
130.62239	3.0
131.04904	4.9
131.08556	11.4
133.06496	20.0
133.10127	13.3
135.04466	4.7
135.08049	12.1
135.11716	4.8
137.05974	100.0
137.09573	8.1
138.06287	4.1
139.03899	4.9
139.07434	3.7
139.11176	8.2
141.05443	4.2
143.08563	14.7
145.06482	8.2
145.10121	11.1
147.07993	3.6
149.05995	6.7
149.09612	4.4
151.03915	55.7
151.05061	6.4
151.07526	16.6
152.04301	5.4
153.05495	23.4
155.10631	4.6
157.10085	7.0
159.08023	7.4
159.11642	7.5
161.06018	4.1
161.09586	3.7
162.06836	6.3
163.07530	12.3
165.05489	8.6
165.09084	25.1
167.07040	94.3
168.07457	4.6
168.09314	3.2
171.08037	12.7
171.11743	5.1
173.09662	7.9
173.11739	20.4
173.13255	7.2
175.07570	4.4
175.11078	5.5
177.05507	4.2
177.09035	7.2
181.04970	21.4
181.08594	18.8
182.08835	3.5
183.06546	13.2
185.09691	3.1
187.07616	5.0
187.14795	6.6
188.08322	7.9
189.09070	9.7
189.11099	3.2
191.07034	5.4
191.10594	6.1
195.10170	31.2
201.09132	8.5
203.06999	5.5
203.10699	30.7
205.08618	10.0
207.10292	2.8
213.09120	5.9
213.16347	3.4
214.09834	3.7
217.12166	4.7
219.10127	13.8
219.13763	3.4
220.10524	3.0
221.11676	48.7
223.09685	8.6
225.11238	3.7
229.08530	5.5
229.21387	3.9
229.23483	3.8
233.11682	4.1
235.09608	3.5
239.10616	7.2
241.08652	4.8
243.13696	3.6
247.09532	3.9
251.12819	27.2
256.11026	4.4
257.11716	8.5
269.11700	4.4
271.13306	4.0
281.11703	4.6
287.12720	6.7
289.10751	4.5
290.07703	3.6
293.11731	3.4
293.75583	3.3
297.14743	5.3
299.12762	14.4
305.13925	4.7
311.22241	7.5
315.15976	3.6
317.06583	4.4
317.13785	10.6
325.14505	5.4
329.17624	4.2
339.15872	7.2
345.06033	33.1
357.12967	4.4
357.17038	41.2
357.21042	5.7
375.10770	32.5
375.17343	16.5
375.21515	19.2
375.25543	8.1
375.30353	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	375.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42254	1.1
53.03933	3.1
55.01858	4.1
57.03432	3.1
58.66923	1.3
65.03935	3.3
66.33924	1.2
67.05498	2.9
69.03719	13.2
75.26009	1.2
79.05485	12.6
80.06263	2.0
91.05478	34.1
93.07040	5.8
95.04955	4.4
95.08581	1.8
103.05468	22.4
105.04535	1.7
105.07043	18.8
107.04956	52.7
107.08543	1.5
108.05744	3.8
109.06520	3.8
115.05466	7.5
116.06219	1.7
117.07045	6.8
118.04149	1.3
119.04944	25.3
120.05724	2.4
121.06502	14.5
121.10107	1.4
123.04432	5.6
123.08048	7.9
125.05982	2.7
127.03917	1.6
131.04945	11.3
131.08588	6.1
132.05673	1.5
133.06465	7.6
134.07257	2.3
135.04382	1.3
135.08052	20.6
136.05194	8.9
137.05988	11.9
143.08643	1.4
144.05620	1.9
145.06479	4.7
145.07535	2.1
146.07263	15.9
147.04425	9.2
147.08061	7.0
148.05180	2.2
149.06003	6.7
149.09456	1.4
150.06740	8.0
151.03912	2.2
151.07539	75.0
152.07930	2.1
153.05461	13.5
155.03383	1.4
159.08035	12.0
160.08386	1.2
161.06032	5.8
162.06757	8.4
163.03935	1.6
163.07544	58.5
164.04622	1.5
164.07906	3.3
165.05486	5.8
165.09117	17.7
166.19321	1.4
167.03424	2.5
167.07001	2.4
169.08719	2.3
175.00313	1.3
175.07544	2.3
176.04704	3.3
177.09096	10.0
178.09886	72.2
179.07033	100.0
179.10315	7.6
180.07457	3.7
181.08574	11.7
187.07539	33.6
188.07916	2.0
189.09106	3.3
191.07024	43.2
191.10667	2.7
192.07372	2.9
193.08606	17.6
194.09378	4.8
195.09837	1.7
197.08090	38.4
198.08423	2.1
204.07909	2.2
205.08604	12.6
219.08183	2.2
219.10168	21.9
220.10539	1.9
223.09648	32.4
237.11232	20.4
238.11679	2.0
309.71640	1.3
329.13818	4.1
375.19894	38.7
376.20065	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	375.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.7
52.59645	0.7
53.03934	3.0
55.01872	3.5
57.03421	3.5
63.02375	0.7
65.03940	2.8
67.05492	3.2
69.03521	6.8
69.03920	1.9
77.03928	1.1
79.05492	12.0
80.06268	1.3
81.07041	1.7
85.02911	0.8
91.05480	37.6
93.03391	1.2
93.07049	6.2
94.04142	0.8
95.04971	6.4
95.08613	1.3
101.06635	0.8
103.05464	23.3
103.06114	1.6
105.04527	1.4
105.07029	21.1
107.04953	67.7
107.08604	2.0
108.05828	4.0
109.02855	1.5
109.06531	4.3
111.04410	0.9
115.05438	9.0
116.06258	1.6
116.38368	0.7
117.07037	7.4
118.04150	2.3
119.04945	31.1
119.08547	0.9
120.05727	1.1
121.06506	12.6
122.03677	1.1
123.04436	5.3
123.08075	7.8
125.05992	4.0
129.06992	1.3
129.98438	0.8
131.04938	10.2
131.08559	3.2
132.05673	0.7
133.06493	12.4
134.07239	2.5
135.04410	2.1
135.08052	23.4
136.05196	7.1
136.08382	1.4
137.02347	0.8
137.05977	15.9
138.03235	0.8
141.06990	2.2
144.05658	1.6
145.06496	3.7
145.07570	1.6
146.07249	13.3
146.61606	0.8
147.04411	9.8
147.08051	8.7
148.05193	1.9
148.08409	1.0
149.05998	7.0
149.09547	0.9
150.06773	7.6
151.07536	90.8
152.07904	2.5
153.05453	12.0
159.08046	9.2
161.06010	4.2
162.06767	15.3
163.07538	70.9
163.60411	0.7
164.04657	2.2
164.07896	3.6
165.05443	5.7
165.09113	19.3
167.06999	3.3
169.06474	1.0
169.08611	2.5
176.04655	3.7
177.09122	9.8
178.06316	3.0
178.09885	70.7
179.07027	100.0
179.10341	6.5
180.07346	6.1
181.08589	15.7
181.10101	1.2
187.07532	31.6
188.07886	1.7
189.09096	3.4
191.07030	33.4
191.10609	1.0
192.07391	1.4
193.08601	21.9
194.09396	7.2
195.10121	0.9
197.08078	37.0
198.08423	1.6
204.07770	4.0
205.08606	9.5
207.10129	1.3
219.10164	19.3
220.10521	0.8
223.09656	31.9
224.09938	1.8
228.37790	0.9
237.11205	15.1
329.13843	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	375.1804
Annotation	Hexahydrocurcumin
Peak:m/z	Relative Intensity
53.03942	5.4
55.01865	6.1
55.05504	4.2
57.03431	4.0
65.03937	4.3
67.05518	12.4
69.03414	3.1
69.07059	5.9
69.81791	9.9
71.04977	2.5
79.01881	2.7
79.05501	16.6
81.03420	5.2
81.07058	12.3
85.02906	3.4
85.06496	2.9
88.46191	2.4
91.05481	48.1
93.07044	13.7
95.04969	10.7
95.08623	12.4
97.06539	4.6
103.05453	22.8
105.07037	30.7
107.04955	62.4
107.08569	9.1
108.05798	3.3
109.06511	9.0
109.10065	3.8
111.04477	3.2
111.08064	2.4
115.05460	10.8
117.07016	11.3
119.04945	30.9
119.08618	6.1
121.06514	25.9
121.10159	2.6
122.10328	2.6
123.04416	7.1
123.08058	11.0
125.05971	4.7
129.07014	5.1
131.04915	12.9
131.08578	8.5
133.06503	16.5
134.07231	3.2
135.04387	8.5
135.08052	21.9
135.11678	2.6
136.05180	7.9
136.08357	2.8
137.06006	32.6
139.07574	4.4
141.05496	3.3
143.08606	5.5
145.06477	10.7
145.07524	3.2
145.10080	4.5
146.07310	14.9
146.36015	2.4
147.04430	12.4
147.08046	10.3
149.05965	10.1
150.06752	8.5
151.03928	32.3
151.05011	5.0
151.07555	96.4
152.07852	5.4
153.05441	15.7
159.08060	15.8
161.05983	7.3
162.06787	12.9
163.03871	4.7
163.07552	77.0
164.08072	4.0
165.05486	10.7
165.09157	17.3
167.07060	28.7
169.08710	3.0
173.09613	2.5
175.07539	6.5
176.04684	3.1
177.05421	5.3
177.09103	8.6
178.06245	4.0
178.09898	73.6
179.07048	100.0
179.10419	7.7
180.07393	5.7
181.05025	3.4
181.08551	17.7
187.07565	39.3
189.09108	8.0
191.07014	44.0
192.07417	4.0
193.08635	23.9
194.09302	4.7
195.06535	4.1
195.10226	2.7
197.08130	64.6
203.10724	4.3
204.07814	4.4
205.08607	16.3
219.10136	29.5
221.11699	4.7
223.09641	30.6
230.49164	2.5
237.11226	24.6
251.12837	2.7
256.73035	2.4
273.07550	7.8
277.21954	2.7
291.62488	2.5
297.11212	2.7
299.05542	2.7
325.38199	2.6
329.13718	7.0
357.09525	14.1
357.16833	5.7
375.10641	7.5
375.14572	12.9
375.18057	5.8
375.30450	2.9
389.42169	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1801
Annotation	Liliflone
Peak:m/z	Relative Intensity
53.03948	8.6
55.01867	7.8
55.05501	10.4
57.07056	7.0
65.03924	8.0
67.05503	40.7
69.03427	8.9
69.07059	8.7
69.10014	34.3
69.65920	3.1
70.93063	3.6
71.01372	5.8
71.04989	73.3
77.03964	3.8
79.05505	22.3
81.07053	22.0
82.11886	3.8
83.01337	4.8
83.04990	8.8
85.02934	3.4
87.04488	3.5
91.05478	47.9
92.05880	3.4
93.07042	79.0
94.34440	3.0
95.04957	24.0
95.08609	22.2
95.81960	3.3
95.91363	3.3
97.06478	4.1
99.08109	11.0
103.05452	4.5
105.07029	92.8
107.04950	13.6
107.08591	38.0
109.06528	7.3
109.10146	16.4
112.70473	4.1
113.06009	10.5
115.05469	6.2
117.07025	9.9
119.04940	100.0
119.08589	33.3
120.09055	3.6
121.02850	5.1
121.06515	18.8
121.10133	14.1
123.04414	17.4
123.08089	19.0
123.11649	3.8
125.12283	3.4
128.06233	7.6
129.06998	13.3
130.07762	3.5
131.04977	4.2
131.08536	23.1
133.06485	14.4
133.10123	84.7
134.07262	4.5
134.10495	4.5
135.08035	20.0
135.11699	30.6
137.05954	5.9
137.09563	7.4
139.07567	4.5
141.05469	14.6
143.08543	12.4
145.06488	9.9
145.10127	11.1
147.04385	8.2
147.08049	38.5
147.11620	5.4
149.05949	7.3
149.09604	13.8
151.03922	8.9
151.07547	31.5
151.11229	4.3
155.08597	4.0
157.04977	11.6
157.06439	12.1
157.10092	7.6
159.04369	4.2
159.08073	9.6
159.11673	15.7
161.05956	7.4
161.09624	6.9
161.13269	13.7
163.07507	6.2
163.11191	4.3
165.05473	10.2
165.09097	5.2
169.04988	4.5
169.10075	5.7
171.08018	15.8
171.11707	9.2
173.06010	6.0
173.13260	12.4
175.07547	15.6
177.05479	4.0
177.09125	7.2
177.12679	7.3
179.03400	16.2
179.07001	24.2
179.14355	8.1
181.10107	6.2
183.06567	8.8
185.09555	6.8
187.07484	5.8
187.11203	6.8
189.05547	9.1
189.08994	4.5
191.06946	7.0
193.12222	4.2
195.11690	4.1
197.04472	19.1
197.08087	48.9
199.07559	12.0
199.11194	13.8
201.05502	9.4
201.12746	14.1
203.07047	6.6
205.08519	4.5
205.12207	40.7
207.06447	6.6
209.08081	7.8
209.13297	5.0
211.11195	4.4
215.05476	14.9
217.08618	17.8
217.12148	26.0
219.06544	7.4
219.10362	6.7
219.13799	93.7
220.14081	5.5
221.08084	4.7
225.07558	10.9
225.09338	5.6
227.07079	5.5
227.10701	13.1
231.10255	4.9
241.08525	5.0
241.12204	11.7
243.10217	8.3
245.11650	18.9
247.09344	4.3
250.70532	3.7
251.10738	6.0
255.13672	5.1
259.13284	11.3
261.11203	8.1
263.12659	4.1
269.11771	18.5
271.09570	11.4
273.21912	3.4
287.12811	48.9
289.10767	25.4
290.11063	6.0
297.11093	4.1
305.13766	20.0
311.16510	21.4
313.17944	6.8
322.15091	4.6
329.17502	34.3
331.19226	5.0
339.15933	17.0
340.16470	3.6
347.14816	4.7
357.16904	28.4
357.20618	6.6
375.10504	4.2
375.17819	31.3
375.25284	5.8
375.29688	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	375.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	7.2
57.03413	0.8
57.07073	8.2
59.04981	2.7
67.05507	13.4
69.03413	3.7
69.07066	9.8
70.06589	6.3
71.04997	4.3
71.08617	3.2
71.31651	1.7
79.05498	7.5
80.11864	0.8
81.07059	25.2
83.01319	1.3
83.04982	6.0
83.08599	3.3
85.06528	2.1
85.10172	1.4
88.07632	9.9
88.11266	5.9
90.13127	0.8
91.05451	7.3
93.07040	10.8
95.04970	6.4
95.08602	20.9
97.06527	8.2
97.10164	3.3
102.09180	6.2
105.07027	10.1
107.08591	14.9
107.11708	0.8
107.50482	0.8
109.06524	4.5
109.10141	15.2
111.04415	1.3
111.08077	5.4
113.06036	1.3
117.07005	1.5
119.08569	7.2
121.06478	2.6
121.10139	14.2
123.04427	1.5
123.08048	2.7
123.11711	8.7
125.05988	1.9
125.09603	2.7
125.41000	0.9
129.06978	1.4
131.08534	3.0
133.10118	7.3
135.08055	2.3
135.11664	5.4
137.05956	4.1
137.09622	6.4
137.13246	4.1
139.07513	2.6
139.11186	16.8
143.08545	1.2
145.10159	5.0
147.07985	1.4
147.11664	4.0
149.06006	1.9
149.09612	4.6
149.13249	1.5
151.07539	1.3
151.11154	6.2
151.14775	1.0
153.05435	2.7
155.07031	1.6
155.08531	2.4
157.10146	1.7
159.11650	2.9
161.05862	1.4
161.09561	2.6
161.13235	2.0
163.07497	1.5
163.11124	1.7
165.05463	1.5
165.09088	1.8
165.12746	6.6
167.10710	6.9
169.04967	2.1
171.11624	1.4
173.09607	1.9
173.13252	1.7
175.11281	1.7
177.05486	6.2
177.09106	5.2
179.10641	3.9
179.14371	1.4
183.11615	1.2
185.13083	0.9
187.14828	2.7
191.06964	1.0
191.10587	1.9
193.10442	1.0
193.12247	5.1
193.14218	1.4
193.15843	9.7
199.14819	1.5
201.09276	1.5
203.10628	1.0
203.14186	1.1
204.07838	1.5
207.10208	6.1
208.10553	1.1
209.13177	1.7
213.16278	1.0
219.10164	18.5
219.13724	1.6
220.10580	1.0
221.15268	4.2
223.14861	1.1
225.09344	1.5
225.11214	8.4
231.10083	1.6
235.09708	1.1
237.11197	22.3
237.14886	4.1
239.16408	57.4
240.16727	2.1
243.10172	4.2
249.11206	3.6
250.11577	1.0
253.17857	1.9
255.13925	1.7
257.11713	1.0
261.11194	9.5
263.12802	2.8
267.10156	1.0
275.12823	1.2
278.12747	0.9
278.25034	1.1
287.12845	1.5
291.55133	1.2
295.15454	1.3
297.14813	2.2
299.12625	1.2
305.17572	6.5
312.32562	9.3
313.32907	8.8
315.15839	2.1
319.22736	2.1
329.21561	1.1
339.19513	3.4
357.16528	1.6
357.20581	27.6
357.27725	1.6
357.35590	1.1
358.20883	2.3
374.36273	22.5
375.18256	2.4
375.21759	42.1
375.28943	100.0
375.36246	26.7
376.21808	2.9
376.29129	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	375.2165
Annotation	12-Deoxy-7,7-dimethoxy-6-ketoroyleanone
Peak:m/z	Relative Intensity
51.76841	0.3
53.03939	0.5
55.05510	5.1
57.07076	4.6
59.05004	1.7
67.05502	7.3
69.03446	0.4
69.07061	1.6
69.58958	1.5
71.04992	1.1
79.05491	5.1
81.07055	42.3
82.07394	1.0
83.04979	1.0
83.08617	2.4
83.73771	0.3
88.07628	1.2
91.05476	2.7
93.07042	3.3
95.04968	0.8
95.08023	0.7
95.08604	9.0
97.06524	0.9
105.07030	3.3
107.04979	0.5
107.08586	5.2
109.06524	1.0
109.10139	2.9
113.05971	0.4
117.07007	0.6
119.08576	1.8
121.06505	4.2
121.10117	3.8
123.04436	0.6
123.08059	1.3
123.11702	100.0
124.12043	4.3
125.05958	0.5
125.09634	0.7
131.08565	0.8
133.06493	3.9
133.10118	3.7
135.08055	0.7
135.11681	1.6
137.05972	2.0
137.09589	2.1
137.13249	1.3
139.07556	0.5
141.05406	0.4
145.10135	1.3
147.08070	2.1
147.11662	0.9
149.05977	0.5
149.09601	0.6
151.07426	0.7
151.11227	2.4
157.10176	0.9
159.07988	0.7
159.11732	0.6
161.09636	0.9
161.13326	0.5
163.07533	0.8
163.11192	0.6
165.05450	0.8
165.09105	2.0
169.08539	0.4
173.09636	0.8
175.07600	2.7
175.11188	1.4
177.05518	0.4
177.09103	2.2
179.07051	0.7
179.10675	1.6
187.11156	0.4
189.09103	1.2
191.10663	1.0
193.08583	3.6
193.12244	1.2
201.09126	0.9
203.10634	1.8
207.10168	0.9
209.13213	0.4
211.09523	0.4
217.08548	1.7
219.10164	6.5
221.11699	3.4
222.12280	0.4
224.16617	0.4
225.11174	0.9
227.10710	0.5
227.14278	0.7
235.09625	9.9
237.11197	5.2
239.12740	2.2
253.10703	11.5
254.11130	0.5
275.20175	0.4
305.96738	0.4
309.14102	0.4
312.32660	0.6
313.33063	0.4
317.17374	0.4
339.19476	1.5
357.20563	8.3
357.24295	0.9
358.20889	0.7
374.36133	1.2
375.21609	72.3
375.25198	2.9
375.36288	1.8
376.21967	6.6
376.26151	0.3
397.30228	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2891
Annotation	Suranone
Peak:m/z	Relative Intensity
53.03946	0.8
55.01825	0.7
55.05507	5.3
57.07081	3.8
58.70499	0.6
59.04996	1.8
67.05503	12.9
67.24445	0.7
69.03403	2.8
69.07061	8.0
71.04958	3.1
71.08595	0.9
73.95429	0.7
74.04008	0.6
75.28060	0.6
79.05502	5.0
81.07056	25.3
83.04983	3.6
83.08620	3.7
85.06509	0.8
91.05464	3.6
93.07037	8.8
95.04932	1.4
95.08031	1.0
95.08595	13.8
97.05967	1.0
97.06531	12.8
97.10143	3.4
104.05345	0.7
105.07011	5.4
107.08597	12.7
109.06477	3.0
109.09461	0.7
109.10155	12.0
111.04446	1.0
111.08076	6.0
111.11696	1.5
119.08586	3.9
121.10139	18.9
123.04440	1.5
123.08038	2.5
123.10804	0.9
123.11695	12.1
123.19180	0.8
125.05959	1.5
125.09630	5.0
131.08470	1.3
133.10138	5.6
134.10329	0.7
135.11688	7.7
137.05962	3.0
137.09624	6.0
137.13252	7.1
139.07498	2.3
139.11171	25.3
143.07018	1.1
145.10092	1.9
147.08011	0.9
147.11658	2.6
149.09610	4.9
149.13243	2.1
150.10365	2.6
151.11209	4.2
151.14795	1.1
153.09143	0.9
157.10089	0.9
159.11690	2.1
161.09613	1.1
161.13248	1.6
163.11128	0.8
163.14824	0.7
165.09109	1.4
165.12755	1.0
167.10667	12.6
169.95946	0.8
175.14803	1.8
177.12762	1.8
179.10643	3.2
179.14267	2.7
180.92148	0.7
191.14233	1.1
191.18019	0.9
193.12198	1.8
193.15868	15.4
203.14252	1.4
211.13148	0.8
219.13794	1.0
221.15372	6.3
223.81573	0.8
229.31479	0.7
237.14804	8.4
238.15016	1.5
239.16403	93.7
240.16708	5.8
245.15475	1.0
251.16321	3.5
253.17947	2.8
285.10953	0.7
293.17624	1.4
319.22650	2.2
357.27899	1.3
375.28915	100.0
376.25174	0.9
376.29321	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	375.2892
Annotation	Suranone
Peak:m/z	Relative Intensity
52.10818	0.7
55.01867	1.3
55.05511	3.6
57.03408	0.8
57.07063	2.7
67.05503	9.6
67.11771	0.6
69.03424	3.2
69.07064	6.8
71.04966	2.3
71.30830	1.0
79.05482	4.6
80.97972	0.6
81.07055	18.0
83.04961	2.9
83.08610	2.1
85.06522	1.0
85.44398	0.7
91.05470	2.2
93.07049	4.9
95.04972	1.6
95.08599	11.3
97.06532	8.5
97.10167	2.7
100.74782	0.7
105.07021	3.5
107.08588	7.8
109.06500	3.1
109.10162	9.4
111.04448	0.7
111.08064	5.1
111.11727	1.7
117.07067	0.9
119.08617	3.9
121.06506	1.0
121.10146	12.9
121.35033	0.7
123.08074	2.2
123.11712	11.0
125.05969	1.2
125.09627	3.6
129.07008	0.7
131.08569	1.7
133.10132	3.6
135.11659	3.7
135.36356	0.8
137.05948	2.7
137.09608	4.2
137.13243	3.7
139.07527	2.3
139.11177	16.3
145.10075	2.2
147.07982	0.8
147.11725	1.7
149.09616	3.1
149.13235	1.0
150.10361	1.0
151.11189	3.2
151.14796	1.0
153.09076	0.8
157.10187	0.9
159.11678	1.4
161.09616	1.1
161.13264	1.6
165.09129	1.0
165.12663	1.0
167.10692	7.3
177.12743	1.1
179.10724	2.1
179.14304	2.0
191.17992	1.2
193.12277	1.0
193.15884	9.4
203.14314	1.0
219.13680	1.1
221.15343	5.7
237.14873	4.4
239.16411	65.8
240.16801	2.2
244.79956	0.7
251.16357	1.1
253.17926	2.8
262.27048	0.7
266.36691	0.8
319.22754	2.4
356.62997	0.7
357.27762	3.8
375.28925	100.0
376.25156	0.8
376.29321	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	376.1
Annotation	4-HADNT O-glucoside
Peak:m/z	Relative Intensity
53.56335	0.3
55.77098	0.3
59.27226	0.3
69.22300	3.0
83.44845	0.3
94.19648	0.4
112.02115	0.3
123.04491	0.3
137.05977	0.6
143.02003	0.4
143.03113	1.9
177.09108	2.4
179.07170	0.4
191.07120	0.6
208.09694	0.8
213.96361	0.4
214.04819	1.3
244.58389	0.3
256.05792	1.9
286.06839	0.5
287.86703	0.3
376.10007	100.0
377.10349	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	376.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.7
56.10904	0.3
57.03413	1.4
65.03917	0.5
68.99776	1.6
69.00104	0.4
69.03437	0.6
70.06592	3.0
70.58203	0.9
71.01332	0.5
77.93960	0.4
78.24915	0.3
79.05468	1.2
81.07021	1.5
83.01330	1.1
83.04966	0.4
85.02889	1.0
91.05469	1.5
93.07038	0.9
95.04948	2.3
95.08591	0.8
105.07012	1.6
107.04951	2.0
107.08551	1.6
109.02856	0.4
109.06457	0.5
115.05446	1.1
117.07018	2.7
119.04922	1.0
121.06506	3.4
123.04434	4.2
131.04898	0.4
135.04416	4.0
135.08018	3.4
136.07556	1.9
137.05975	3.3
139.03889	21.4
140.04198	0.6
145.06447	3.0
147.04433	1.8
147.07962	0.6
148.05101	0.5
149.05971	3.0
150.09009	0.4
151.03893	3.6
151.07553	0.4
153.05460	1.0
157.06467	0.8
161.05963	1.2
162.09140	0.6
163.03891	6.4
163.07526	12.7
164.04648	0.5
164.07854	0.7
165.05450	1.6
167.07079	0.9
173.05968	6.4
175.07484	0.7
176.04587	0.5
177.05508	0.7
179.03387	1.4
179.07022	5.2
181.04964	2.2
185.05942	0.7
187.07578	0.4
188.07028	0.9
190.08606	11.2
190.10332	0.6
191.07021	54.1
192.07353	3.0
197.08086	8.3
202.08809	0.4
203.07005	2.8
205.04936	0.6
208.09673	100.0
209.10025	4.7
214.10806	1.5
220.09677	1.7
341.10214	5.3
358.12894	3.4
359.11273	2.1
376.13904	28.3
377.14209	2.5
377.29562	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86296	0.5
53.00305	0.6
55.01858	0.9
57.03410	2.2
65.03925	0.6
67.05493	1.2
67.51932	0.5
68.99776	1.6
69.03399	1.2
70.06587	2.8
71.01342	0.6
71.33388	0.7
73.52179	0.4
79.05479	2.0
81.03400	0.8
81.07023	1.8
83.01321	0.7
83.04960	0.7
85.02908	4.8
85.06543	1.1
91.05464	2.1
93.07036	1.4
95.04967	2.6
95.08599	1.2
97.02855	1.8
105.03335	0.5
105.07042	2.4
106.07297	0.5
107.04919	2.3
107.08577	0.9
109.02837	0.8
109.06493	0.7
112.78973	0.5
117.07012	3.7
119.04938	1.1
119.08559	1.0
121.02821	1.0
121.06493	3.2
123.04416	1.0
131.04869	0.9
131.08594	0.7
133.06444	0.7
135.04381	3.7
135.08046	4.2
136.07559	2.9
137.00449	0.6
137.05966	19.0
138.06310	1.2
139.03897	22.5
140.04207	0.9
145.06465	3.2
145.10068	0.5
147.04379	2.4
149.05984	2.9
151.03905	3.3
151.07495	1.9
153.05449	1.0
157.06470	0.9
161.05971	1.6
163.03900	6.3
163.07530	15.6
165.05432	1.7
167.07005	1.5
173.05986	7.3
175.07521	0.8
177.05421	1.2
179.03378	2.0
179.07031	11.3
180.07269	0.7
181.04955	2.2
189.05461	0.5
190.08617	13.0
191.07022	59.6
192.07318	2.4
195.06613	0.8
200.77576	0.5
203.07004	3.6
208.09674	100.0
209.10031	4.2
214.07523	0.8
220.09731	0.9
325.49768	0.5
341.10156	5.8
358.12863	4.0
359.11011	2.4
376.09274	1.2
376.13873	22.8
377.14218	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	376.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.01875	1.0
55.05509	1.6
57.03430	2.3
61.02924	2.3
67.05497	1.9
69.03419	4.8
69.09087	7.5
70.06616	1.0
71.04998	1.3
73.02931	1.5
79.05484	2.0
79.50166	0.8
81.03411	3.2
81.07050	2.4
83.04971	1.6
85.02899	13.8
85.06535	7.1
87.04445	1.5
91.05484	3.6
93.07037	1.1
95.04984	1.6
95.08572	1.4
97.02885	4.3
105.07011	1.9
107.08597	1.7
109.02864	2.4
109.06505	2.6
109.10135	1.9
110.10482	1.6
117.03406	1.0
119.04942	2.5
121.06516	1.3
122.09655	1.1
123.04430	52.5
124.04772	1.2
124.07579	3.7
127.03917	3.6
127.07550	1.0
132.39786	0.8
133.02910	1.1
133.06465	1.4
137.05977	15.5
138.09113	1.7
139.03894	5.4
145.04953	3.5
147.04401	13.9
151.07559	3.0
157.24884	0.8
161.05925	1.5
163.03943	1.7
163.07545	2.4
164.04672	3.8
165.05479	1.8
168.10194	2.3
173.05945	1.1
178.08725	1.3
179.07050	8.7
180.08704	1.5
181.08670	1.0
181.59740	0.9
190.08745	1.4
191.07051	6.1
196.09720	3.5
197.08089	100.0
198.08369	4.9
208.09677	10.4
213.11192	1.0
214.10695	17.8
214.14320	0.9
288.03546	0.8
376.17368	4.4
377.02750	1.7
377.12225	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	376.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29651	0.7
55.01860	1.0
57.03436	1.4
60.04528	1.6
61.02927	2.4
65.31711	0.8
67.05495	0.8
69.03452	5.4
69.03782	1.1
69.23526	6.5
70.06599	1.1
71.04985	1.9
79.05499	0.9
81.03426	3.2
83.04997	1.4
85.02910	18.3
85.06559	1.6
91.03957	1.7
91.05491	1.1
93.07005	0.9
94.04259	0.7
95.04959	1.2
97.02895	6.9
109.02898	2.7
119.04951	1.3
119.08556	0.9
122.03659	1.4
122.95805	1.0
123.46815	0.8
127.03923	3.4
137.05977	100.0
138.06323	3.3
145.04956	5.2
151.03827	0.9
151.07600	1.8
153.05450	2.8
167.07097	0.9
177.05482	1.1
179.07039	32.4
179.10599	1.6
180.07353	1.7
180.08804	1.6
197.08096	3.9
208.09671	2.2
215.12541	1.7
340.21341	0.9
359.07379	6.5
376.19833	4.6
377.08481	11.2
377.13620	1.6
377.17908	15.7
382.65201	0.8
398.38284	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18895	6.3
55.01891	7.8
55.05511	18.7
61.02914	13.0
67.05499	31.2
68.94563	7.5
69.03417	14.0
69.07096	11.9
70.61815	7.1
71.04985	13.6
71.31869	8.0
71.32257	8.0
74.98479	6.6
76.19430	7.5
79.05486	31.5
80.44013	6.7
81.07059	75.1
85.02898	21.9
85.06534	100.0
91.05472	40.2
93.07047	48.0
95.04964	8.7
95.08613	24.6
100.11259	9.2
105.07012	59.4
107.04945	21.6
107.08586	63.5
109.02872	10.3
109.10170	45.4
111.08074	51.1
117.07005	7.9
118.85441	8.5
119.04859	9.5
119.08576	40.6
121.06509	17.2
121.10152	18.1
124.34319	8.4
127.86086	6.9
131.04955	12.6
131.08585	8.5
131.81705	7.0
133.10153	11.3
135.08025	11.2
135.11707	26.1
137.05974	27.0
139.03935	8.0
145.05011	8.4
145.10127	11.5
146.07262	14.2
147.04395	20.7
151.03923	22.2
151.07574	22.6
161.13263	25.1
163.03922	11.8
163.07549	17.4
165.05467	20.3
165.09184	10.0
167.07089	12.0
167.52167	7.8
177.09109	12.2
178.09888	44.1
179.07098	10.8
179.14352	31.8
224.62453	8.6
398.50800	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	376.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	13.2
54.81373	11.9
55.01888	12.4
55.05502	37.0
57.03456	13.4
60.03694	12.0
61.78782	10.0
67.05505	39.8
69.03443	27.2
69.07066	13.9
71.04992	16.5
71.32722	20.3
79.05500	44.6
81.03416	17.3
81.07057	100.0
83.04968	15.2
85.02904	30.6
85.06538	100.0
91.05484	54.4
91.77038	12.7
93.07030	70.8
95.04981	24.1
95.08604	39.6
97.02917	19.5
100.11251	29.2
105.07024	82.6
107.04938	35.2
107.08601	89.7
109.02890	15.5
109.06545	19.0
109.10155	58.6
111.08084	88.3
117.07044	26.6
119.04954	15.4
119.08604	41.2
121.06499	21.6
121.10147	14.8
127.11224	15.2
128.81599	11.8
128.82600	10.4
131.08546	17.5
133.10138	45.9
135.04407	15.3
135.11697	28.5
137.06000	53.8
143.08551	12.3
145.10074	24.7
147.04440	25.3
151.03903	44.6
151.07552	42.2
152.04211	16.2
161.13251	38.5
163.03877	14.5
163.07529	19.8
165.05479	17.5
167.07025	14.6
173.09610	13.1
177.05493	19.9
177.09143	16.3
178.09839	42.2
179.07068	23.0
179.10672	31.3
179.14296	27.4
181.04977	16.9
193.05023	14.1
193.08688	18.1
243.07114	12.6
301.43234	14.7
315.12201	15.8
343.38144	11.5
358.20630	12.5
376.25711	41.7
377.12201	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	376.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	6.2
55.05510	30.1
57.03427	3.0
67.05508	22.1
69.03423	5.3
69.07059	22.9
69.09167	4.8
69.09574	20.1
71.04980	10.6
79.05052	4.2
79.05492	62.5
81.03405	3.0
81.07058	18.0
83.04967	10.7
83.05438	2.2
83.08617	26.3
85.06528	9.8
87.04440	2.4
91.05482	21.7
93.07041	51.7
94.05811	2.2
94.07379	3.4
95.08603	9.1
97.06510	7.6
97.10159	39.0
98.23363	3.5
99.04457	4.7
105.07035	12.2
107.04957	16.7
107.08584	54.4
109.06503	5.0
109.10144	6.0
111.04421	3.7
111.08083	9.5
111.11736	3.0
115.07552	19.2
117.07023	12.3
119.08580	10.5
121.06477	2.6
121.10139	33.7
125.09613	38.8
126.09991	2.3
126.20485	2.5
131.08545	7.7
133.10112	4.3
135.08047	37.7
135.11671	9.3
139.11168	13.1
145.10107	10.8
149.09602	3.2
151.03845	4.1
151.07542	2.8
153.09109	57.0
154.09480	3.8
163.11172	15.2
171.10185	14.9
173.09691	2.9
181.12257	6.4
185.11743	6.7
189.11209	37.4
190.11588	2.8
191.10695	3.9
194.90858	2.4
195.10153	3.0
207.10022	3.3
225.16364	3.2
227.12772	33.6
228.13231	2.7
245.13820	80.3
246.14191	4.8
287.16339	5.3
305.17487	8.1
305.41028	2.9
323.18484	23.5
341.19604	100.0
342.19791	9.3
377.23346	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	376.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41608	9.1
55.05513	23.2
56.32637	9.8
57.03434	12.4
60.15858	10.8
60.16153	11.6
67.05510	24.7
69.03425	13.0
69.07096	17.0
71.33932	14.5
71.70252	11.4
79.05487	26.9
81.07042	25.5
83.04976	27.0
86.46941	10.6
91.05477	17.4
93.07062	37.9
95.08616	19.1
97.10131	14.6
99.04448	21.0
105.07027	9.9
107.08601	28.5
109.06508	13.4
109.10159	11.9
111.04474	21.3
125.05981	14.6
125.09650	46.7
131.08636	11.5
135.08060	13.4
135.11635	17.5
153.09154	30.3
153.12843	11.8
163.11046	12.2
165.12646	10.7
189.11234	16.2
192.33870	14.9
220.57687	10.0
227.12834	41.4
323.18527	100.0
377.19302	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	376.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	12.4
55.05510	11.9
57.07064	3.2
65.03936	5.7
67.05488	13.8
69.03429	6.6
69.07064	20.3
70.47230	4.3
70.47536	6.6
70.51996	3.3
79.05481	18.3
81.03435	4.7
81.07063	21.8
83.04992	6.1
83.08614	11.4
91.05492	19.3
93.07045	45.8
95.04959	5.5
95.08606	19.0
95.43897	3.4
97.06530	8.9
98.22659	4.2
101.05985	4.7
105.07047	9.5
107.08607	17.0
109.06555	5.6
109.10149	13.4
111.04433	13.6
111.08072	34.1
117.07040	5.4
119.08561	12.7
121.06513	20.3
121.10120	18.9
123.08104	5.3
123.11671	3.9
125.05978	10.0
129.05473	5.9
131.04968	3.7
131.08530	5.1
133.10127	13.0
135.08092	6.4
135.11725	10.4
137.05974	12.8
139.06450	5.8
139.07541	100.0
139.11147	11.2
140.07845	4.9
141.09077	3.6
147.08037	6.6
149.06082	4.2
151.03899	49.7
151.07561	4.3
152.04254	32.0
157.12210	7.5
159.08093	6.7
159.11745	6.6
161.13266	5.8
163.11127	3.8
167.07042	96.2
167.14369	9.5
169.10107	5.4
185.08072	10.7
195.06534	4.3
195.13889	3.7
213.14677	4.2
215.10756	4.4
235.09694	6.6
236.10048	14.8
247.00108	3.8
323.18539	52.6
341.19705	6.9
377.15491	5.3
377.19479	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	376.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	35.8
57.07072	17.9
67.05505	26.7
69.07064	18.5
69.64372	34.4
79.05489	19.3
81.07050	23.5
83.08608	23.6
91.05479	14.1
93.07045	27.3
95.08591	24.0
97.10155	60.6
98.23279	11.0
105.07063	12.1
107.08598	23.6
109.10146	21.8
117.07069	7.5
119.08599	7.9
121.10127	15.7
125.09652	62.1
135.08009	13.5
139.11151	11.9
143.08562	7.4
145.71115	5.5
146.08080	10.7
153.09169	13.2
171.10153	8.1
187.14708	5.9
189.11218	17.8
203.12761	100.0
204.13252	6.1
206.24004	6.1
209.12895	5.9
232.41527	5.8
314.26840	25.3
358.28058	8.7
359.24478	10.5
369.52985	5.9
376.25729	19.1
376.29892	18.7
377.22708	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	376.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	28.2
61.06314	21.6
66.85746	17.6
69.03416	17.1
70.15762	73.9
79.05501	22.9
81.07070	25.6
83.98325	18.6
93.07078	21.5
95.08641	30.6
95.35721	17.9
99.65182	20.9
105.07047	26.4
107.08585	49.1
111.08079	21.5
117.07005	21.1
119.08550	22.2
125.09627	29.0
137.05968	22.5
139.47696	17.7
147.07964	23.5
153.09077	43.3
171.10167	27.8
175.07571	40.9
176.07874	54.8
194.65352	24.9
275.66760	19.6
376.21417	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.7
55.01862	2.2
55.05500	1.1
65.03945	7.6
65.73341	0.7
67.05500	3.7
69.03431	0.9
70.96973	1.6
71.01354	6.2
77.03933	0.9
79.05492	5.1
81.03423	1.7
81.07059	1.1
85.02867	0.7
91.05474	4.2
93.03404	4.0
93.07040	1.6
95.04970	7.9
95.08604	0.9
97.06541	1.3
103.05487	0.8
105.07023	1.6
106.54179	0.7
107.04954	9.9
108.02090	2.4
108.05729	0.8
109.02845	1.2
110.03642	4.8
111.04459	5.9
117.06997	0.9
118.04159	3.4
119.04935	3.7
119.08588	1.0
121.02830	1.3
121.06483	2.4
122.03635	0.9
123.04425	6.3
123.08022	0.8
124.05244	1.6
125.06006	10.2
131.04918	1.9
133.02858	2.7
133.06441	1.6
133.10147	0.9
135.04408	11.0
135.08047	1.3
136.01595	1.0
137.02327	1.7
137.05971	8.0
138.03107	2.0
139.07518	1.0
141.05461	2.2
145.10233	0.7
146.03595	4.1
147.04405	9.8
149.05975	4.5
150.06740	7.7
151.03902	100.0
151.04982	7.0
151.07541	2.6
152.04173	4.4
153.01810	1.3
153.05464	12.4
154.05867	0.8
155.07062	1.7
161.05984	6.2
162.06781	1.1
163.03903	5.7
163.07530	1.7
165.05490	5.2
166.06255	1.7
167.03355	0.9
167.07024	7.9
169.04997	0.9
173.13100	0.7
177.05478	6.8
177.08975	0.7
178.06239	39.1
179.06984	5.7
180.07857	0.8
181.04945	21.6
181.06549	1.1
181.08519	0.8
182.05638	0.9
183.06529	1.5
192.07883	1.5
193.08644	1.7
195.06558	7.6
195.10114	1.7
196.07300	28.9
197.07776	1.2
223.06058	0.8
225.07590	2.6
246.84303	0.7
267.06451	1.1
268.03391	0.8
300.87268	0.8
327.08655	1.6
327.12253	1.3
341.13937	2.2
359.11209	0.9
359.15271	0.9
377.11752	0.8
377.15921	1.1
377.19656	0.9
391.43555	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1418
Annotation	Shermilamine D
Peak:m/z	Relative Intensity
54.50313	0.2
56.96576	0.4
67.05471	0.3
70.93593	0.6
73.92431	0.4
79.85715	0.3
81.03450	0.3
85.02917	0.8
94.21642	0.3
98.97581	1.2
110.97563	0.3
116.98608	0.4
121.06420	0.3
127.03812	0.3
137.05962	1.5
139.98473	0.3
143.03740	0.4
153.59613	0.4
181.08498	0.5
191.06027	0.4
215.05907	0.4
217.05141	0.3
219.01610	0.3
237.02821	0.6
257.06580	0.3
261.09412	3.1
273.04022	0.5
287.13885	0.4
297.06342	0.4
306.54843	0.3
317.09134	0.5
333.05893	0.6
333.11508	0.3
335.09988	1.4
344.75812	0.4
372.70795	0.4
377.14124	100.0
378.14539	6.9
378.19153	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1456
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
53.03942	2.6
55.01847	0.8
57.03439	7.6
59.04978	0.5
61.02929	3.2
61.97858	0.4
67.05488	0.6
69.03432	15.3
70.03770	0.4
71.01350	3.4
71.04993	4.2
71.31399	0.7
73.02913	2.3
75.04481	2.9
77.68874	0.4
79.05474	0.5
79.72244	0.4
81.03052	0.4
81.03416	4.7
81.07048	0.7
85.02887	0.7
87.04433	0.6
91.05457	0.9
92.06956	0.4
97.06513	0.4
99.04454	6.1
103.05454	0.7
105.06982	0.6
106.01349	0.4
107.04950	0.5
107.08549	0.4
109.02834	0.7
109.06511	0.6
117.05468	1.4
121.06519	0.7
121.35968	0.4
127.03829	0.4
137.05957	1.2
138.09079	0.6
145.07602	3.0
147.04362	0.9
149.05983	0.7
151.03831	0.5
157.06367	0.5
157.07642	0.7
163.07562	0.6
167.06888	0.6
167.24782	0.4
170.07095	1.6
172.08699	34.0
173.09084	1.2
175.08702	0.6
179.10770	0.5
180.07430	0.7
186.10201	0.5
190.09741	1.8
193.08667	0.5
198.06631	7.9
199.09781	0.6
200.08197	5.9
201.08597	0.5
214.09763	0.9
214.14339	1.5
215.14706	1.8
216.07674	17.8
217.08144	0.6
218.09189	1.0
243.08774	76.3
244.07088	1.2
244.09218	3.8
289.03488	0.5
316.13007	0.6
359.13602	3.7
360.13586	0.6
377.14560	100.0
378.14825	9.0
378.19339	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.7
55.01865	3.3
55.05506	1.0
65.03938	1.6
67.05505	1.8
68.78779	1.2
69.11147	9.5
79.05476	6.4
81.03455	1.2
81.07031	3.1
84.47555	0.9
90.38638	0.9
91.05475	15.0
93.07049	3.9
95.04963	3.7
95.08576	1.5
102.04707	1.1
103.05465	11.4
105.07020	17.3
107.04967	10.3
107.08562	1.3
109.06509	1.9
111.04420	1.4
115.05464	4.2
116.06218	2.8
117.07011	2.2
118.04144	1.4
119.04943	14.3
119.08595	1.6
121.02866	1.2
121.06507	11.4
123.04423	4.4
123.08079	1.2
131.04913	10.5
131.08589	2.9
133.02855	4.5
133.06491	12.2
134.07297	1.8
135.04396	2.2
135.08063	1.7
137.05980	17.8
139.03891	1.6
141.06963	1.3
143.04974	1.3
145.06483	1.7
145.10066	1.8
147.04414	12.5
149.05975	8.5
150.06685	1.5
151.03925	2.8
151.07500	10.9
153.05426	3.3
159.08067	6.9
159.11662	1.2
161.05977	7.6
162.06789	1.9
163.03912	5.3
163.07545	9.6
164.04686	3.1
165.05469	18.2
165.09131	2.3
167.07028	22.6
175.07555	1.4
177.05463	50.3
177.09004	2.1
178.06160	4.7
179.07008	17.7
180.07771	2.5
181.05054	1.1
181.08595	2.5
187.07536	22.3
187.14725	1.1
188.07903	1.2
191.07033	7.4
193.08585	17.6
194.09381	100.0
195.06546	1.8
195.10036	12.9
205.08571	25.3
206.08905	1.0
209.08067	53.0
210.08499	3.1
211.09656	3.0
221.06078	1.2
223.09650	11.1
224.10262	1.3
271.40298	1.2
359.18414	1.2
377.06219	1.8
377.10400	3.1
377.15451	2.1
377.19470	1.4
377.26324	1.9
404.70380	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1593
Annotation	threo-Guaiacylglycerol beta-coniferyl ether
Peak:m/z	Relative Intensity
51.02396	1.0
53.00335	0.8
53.03953	3.9
53.85482	0.6
55.01871	5.2
55.27729	0.7
60.17625	0.6
65.03928	4.1
67.05532	1.8
69.57724	2.9
69.58134	1.1
71.01353	7.1
77.03961	1.5
79.05492	16.2
79.05919	0.9
80.05865	0.6
81.03448	0.8
81.89511	0.6
82.23860	0.6
89.03929	0.8
91.05474	12.2
93.03430	2.6
93.07065	1.9
94.04197	0.8
95.04957	8.2
98.23277	1.4
103.05461	25.1
104.06322	1.1
105.04554	1.5
105.07037	11.4
106.04248	0.8
107.04951	77.0
107.08614	1.5
108.02116	2.0
108.05285	2.0
109.02913	1.2
109.06519	1.1
110.03715	0.9
111.04454	2.6
115.05441	8.0
115.06109	0.8
117.03437	0.7
117.07026	2.7
118.04170	3.1
119.04942	4.1
120.05723	1.9
121.06495	10.9
122.03651	1.2
123.04440	4.7
124.05227	1.4
125.05982	6.1
129.07018	1.0
131.04935	10.3
131.08548	0.9
132.05621	1.0
133.02856	4.3
133.06525	3.9
135.04419	13.4
135.08054	16.6
136.05055	1.0
136.08498	0.6
137.02344	1.0
137.05972	30.4
138.06790	4.6
141.05473	1.9
145.06523	1.3
145.07613	2.2
146.03625	3.4
146.07240	0.8
147.04393	5.6
148.05107	0.7
149.05981	15.8
150.03133	1.0
150.06738	5.9
151.03903	98.9
151.04997	7.6
151.07411	4.1
152.04187	4.7
153.05467	11.1
160.05142	0.7
161.05980	16.5
161.09618	3.3
162.06276	0.7
163.03928	6.2
163.07536	100.0
164.07947	4.4
165.05479	5.1
166.06161	0.8
167.07007	7.2
174.06783	1.3
175.07516	2.7
177.05486	7.0
177.08965	0.9
178.06244	23.4
179.07034	6.9
181.08591	45.8
182.09315	6.5
183.10011	0.9
189.05510	3.3
189.09108	10.8
190.09358	0.9
191.06969	2.8
195.06532	12.7
195.08289	1.2
195.10124	1.6
196.07306	15.4
197.07753	0.7
207.10161	8.4
217.08496	1.3
235.09538	1.8
260.75385	0.7
268.07196	1.1
283.09424	4.1
283.13028	2.0
297.10944	0.9
309.10736	0.9
311.12445	2.2
313.10498	1.4
313.13870	1.1
327.12292	3.8
329.13828	3.9
341.13623	1.8
359.14496	2.6
377.15503	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55236	1.7
53.03938	1.9
55.01861	2.9
55.05521	2.5
57.03443	1.7
67.05503	4.3
69.03410	2.3
69.07061	2.2
69.88108	2.9
69.88522	6.3
70.06581	2.7
71.04957	2.0
79.05498	4.6
79.19054	1.6
81.07063	3.1
83.04991	1.7
91.05476	9.8
93.07043	4.5
95.05010	2.1
95.08603	3.2
97.06540	2.0
98.22625	2.2
103.05480	2.3
105.07049	3.6
107.04968	2.8
107.08606	2.4
109.06496	2.0
110.00437	2.1
111.04491	2.0
117.07038	2.5
119.04930	4.0
119.08588	3.7
121.06483	5.1
121.10209	2.4
123.04402	3.6
125.05991	1.9
127.03949	2.1
129.07043	2.4
131.04897	6.6
131.18610	2.1
133.06520	2.1
133.10138	2.1
135.07983	2.1
137.05960	11.6
139.03873	2.5
144.10298	1.7
149.05994	3.9
151.03955	2.9
151.07527	12.8
152.07921	2.0
153.05479	6.7
153.06979	6.0
155.08618	2.2
155.84587	1.8
157.06494	2.3
163.07538	4.6
165.06953	11.9
167.06979	3.6
168.05687	2.4
175.07536	2.7
179.07031	2.2
181.05049	2.7
181.06505	8.4
181.08522	1.6
183.08086	12.4
184.05328	4.2
185.05919	4.5
189.06879	2.0
193.50211	1.8
196.05049	2.2
197.05867	3.6
198.06741	3.9
199.07576	6.6
200.08322	2.6
209.05984	4.0
211.07555	14.0
212.04704	3.6
212.08052	2.7
213.05460	4.4
213.09117	2.2
215.10828	2.5
223.03909	5.3
223.07358	2.5
226.06268	4.1
227.07053	19.4
233.99910	1.7
237.05508	4.1
239.07039	5.4
241.08682	3.9
243.10086	9.9
245.08008	3.2
255.06482	9.4
256.07202	3.3
269.08054	3.6
271.09576	20.8
272.10239	3.5
285.11072	2.1
288.09885	100.0
289.10239	4.8
301.10724	7.3
302.11462	38.0
303.12219	23.8
304.12347	2.2
327.08374	1.8
360.18259	3.1
377.06485	4.9
377.13022	2.6
377.17584	3.9
378.19479	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1593
Annotation	(7R)-7-Hydroxylariciresinol
Peak:m/z	Relative Intensity
50.37849	0.5
53.03932	1.5
54.10842	0.5
55.01853	1.1
58.14032	0.6
65.03935	6.0
67.05502	2.3
69.09104	5.5
77.03925	0.8
79.05493	1.8
80.52679	0.5
81.07048	0.9
91.05474	3.8
93.03405	4.8
93.07065	0.7
95.04969	1.7
98.22592	1.3
103.05456	1.0
105.04567	0.5
105.07022	2.5
107.04948	1.4
108.02110	3.4
109.10215	0.6
110.03682	0.7
111.04447	7.5
115.05553	0.5
117.07006	1.3
119.04960	1.9
119.08593	0.7
121.06467	1.4
122.03638	0.7
123.04467	1.1
123.08051	0.9
125.05984	8.4
128.06213	0.8
129.06966	2.7
131.04930	1.7
131.08568	0.6
133.06537	0.7
135.08049	5.4
137.05977	12.6
138.06364	0.7
139.54526	0.5
141.05476	3.0
146.07246	1.6
147.04413	0.7
147.08060	1.4
148.05212	0.6
149.05969	2.1
151.03906	100.0
151.05019	11.0
151.07494	10.2
152.04214	4.4
153.05467	16.2
157.06490	1.9
161.05959	14.3
161.09604	4.6
162.06424	1.0
163.07561	6.7
165.05492	2.3
165.06894	0.9
165.09093	0.8
167.07014	1.7
167.08466	1.0
174.06752	1.4
175.07500	1.3
177.05492	2.1
177.09155	2.1
179.07047	1.0
181.08632	1.6
189.05544	1.0
189.09096	14.8
190.09367	1.1
191.07037	10.4
191.08620	0.9
192.07451	1.1
193.06683	0.8
193.08569	3.3
193.10100	0.9
194.09244	0.8
195.08157	1.4
195.10179	4.8
197.06041	1.0
203.06950	0.6
203.08614	0.9
205.08635	1.1
207.10147	16.2
208.10507	0.9
210.06953	0.6
211.07579	1.3
217.08556	0.8
220.08961	0.7
221.05997	1.2
221.09657	1.6
223.07524	0.9
223.11382	0.7
224.08348	1.0
225.09102	2.5
227.10648	1.3
235.09610	4.9
237.09047	0.6
238.06128	0.7
239.06999	1.1
240.07788	1.0
248.08212	0.8
249.05382	0.6
251.10626	0.7
252.07881	0.7
253.08615	2.5
253.12248	1.8
254.08887	0.6
255.06717	0.6
255.10092	1.3
267.06497	0.6
268.07361	1.7
269.07791	0.8
270.08887	1.9
277.08792	0.5
281.08273	0.7
281.11734	2.5
283.09692	3.4
283.13324	2.6
285.11172	5.2
287.12781	2.4
291.10123	1.3
297.11258	1.4
299.12540	0.7
301.14310	0.8
309.11166	1.2
311.12848	1.2
313.10669	5.8
313.14328	4.6
314.11172	0.7
314.14703	0.8
323.12732	1.3
327.12411	0.8
329.13815	4.7
330.14301	0.9
331.15439	3.5
331.18741	0.7
341.13852	8.3
342.14014	0.9
347.14932	1.7
359.14877	16.0
360.15100	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.8
55.01876	4.3
55.05511	1.8
61.02934	2.1
65.03934	1.8
67.05499	4.1
69.73511	7.2
79.05495	12.5
80.22371	1.7
81.03417	3.9
81.07059	2.9
83.04996	2.0
83.45947	1.7
85.02907	2.4
89.79207	1.6
90.04665	1.9
91.05490	29.7
93.07039	6.7
94.04187	2.3
95.04974	9.9
96.08485	1.5
96.13985	1.7
103.05470	100.0
105.03370	1.9
105.04518	1.9
105.07044	9.7
106.04198	4.3
107.04256	3.0
107.04961	41.3
107.08591	3.9
109.02887	6.2
109.06511	4.8
109.10169	2.0
111.04506	2.3
115.05489	7.3
116.91537	1.8
117.07024	9.8
119.04941	18.8
119.08572	2.6
121.02866	3.8
121.06513	20.4
122.03664	4.1
123.04430	4.3
123.08045	2.4
125.05983	8.9
131.04927	74.0
131.08592	2.1
132.05389	2.4
133.06471	12.9
135.04420	14.6
135.08086	8.4
136.05203	3.8
137.05980	48.2
137.07024	3.0
138.03105	1.9
139.03944	7.1
139.07564	2.3
145.06488	5.3
146.07269	21.9
147.04416	35.5
147.08052	9.7
148.05128	2.6
149.05989	21.6
149.09584	2.9
150.06514	2.2
151.03902	3.1
151.07542	30.4
153.05453	41.2
157.06485	2.2
159.04469	3.3
159.11652	1.7
161.05960	13.0
162.06778	9.1
163.03926	24.5
163.07552	56.4
164.08337	43.4
165.05479	30.8
165.09143	18.3
167.07056	13.2
175.07486	2.7
176.04680	4.3
177.05495	31.2
177.09113	23.2
178.06342	2.8
178.08305	3.3
178.09895	69.6
179.07030	60.5
179.08652	2.5
179.10469	9.8
180.07446	3.4
185.06004	3.4
189.05460	4.9
191.07031	44.6
193.08574	3.9
195.06535	10.1
195.10178	2.7
203.06924	8.1
203.10799	2.0
207.06548	3.0
221.08069	3.6
222.02850	1.7
265.08392	2.2
266.09412	1.8
279.17764	1.9
280.78680	1.7
297.11154	2.7
315.12244	55.3
316.12534	3.9
323.12683	3.4
329.13815	9.5
341.13910	27.3
351.20648	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
69.03407	1.5
69.47839	3.2
69.48260	4.2
79.05489	8.2
81.03402	1.6
81.07053	1.8
83.04973	1.4
85.89741	1.2
88.45319	1.2
91.05481	16.8
93.07064	2.4
95.04971	3.4
99.41019	1.3
103.05482	5.6
105.07036	3.5
107.04259	2.6
107.04952	33.0
107.05685	2.0
109.06512	2.1
111.04464	1.9
115.05479	6.3
117.07021	8.3
119.04954	9.7
119.08570	2.9
121.06499	23.0
121.07337	1.8
123.04431	4.9
124.21728	1.1
125.05956	1.8
129.07027	2.1
131.04932	12.1
132.05730	1.9
133.06471	5.2
134.07303	2.0
135.04411	14.1
135.08031	5.5
136.05162	3.6
137.06000	7.8
138.06697	1.3
139.03897	12.1
142.67213	1.3
145.06490	5.4
146.07263	29.4
146.78316	1.2
147.04399	18.2
147.08052	14.3
149.05969	4.2
149.09657	2.4
150.06767	3.2
151.03893	4.6
151.07535	28.2
152.07933	2.2
153.05476	2.2
157.06555	2.4
159.04478	1.6
161.05980	5.0
162.06752	10.6
163.03905	25.1
163.05304	1.3
163.07536	30.3
164.08214	4.6
165.05493	21.9
165.06837	2.3
165.09105	21.3
173.06021	2.0
173.09642	1.1
175.07553	4.7
177.05475	30.8
177.09094	34.9
177.10574	2.4
178.09885	100.0
179.07144	2.5
179.10651	24.6
185.05875	1.9
189.05414	5.7
191.07033	5.0
193.08620	9.2
194.09273	2.1
195.10063	1.9
198.84285	1.2
203.07010	9.1
203.10666	2.3
205.08499	1.2
207.06529	3.2
221.08018	2.3
249.09096	1.3
255.10178	1.4
265.08670	1.7
266.09399	1.3
281.11642	1.3
295.09653	1.5
295.13367	2.4
297.11108	2.8
310.11966	1.9
315.12283	15.7
316.12497	1.8
323.12753	5.1
329.13922	4.4
341.13821	14.2
377.12454	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.5
55.01868	3.9
55.05508	2.2
61.02926	1.2
65.03929	2.7
66.85692	1.2
67.05499	5.0
69.03416	3.4
71.04984	1.9
71.32899	1.5
77.03918	2.1
78.04678	1.1
79.05486	9.7
81.03412	5.3
81.07053	7.1
83.04984	3.6
85.02893	3.3
85.06564	1.1
91.05479	20.7
92.05788	1.2
93.07060	5.9
94.04208	1.2
95.04955	7.5
95.08617	3.7
97.02911	1.6
97.06550	3.1
103.05466	100.0
104.05726	2.4
104.06335	2.0
105.04533	1.4
105.07030	11.4
106.04199	3.2
107.04952	25.3
107.08572	1.7
109.02889	2.8
109.06534	6.7
109.10200	1.7
110.03596	1.8
111.04424	2.6
115.05476	2.5
117.07001	3.2
119.04938	11.3
119.08615	3.7
121.06494	10.9
121.10108	1.4
122.03645	3.6
123.04416	3.9
123.08035	2.0
125.05988	9.9
127.03893	1.6
131.04924	63.8
131.08583	3.5
132.05739	2.4
133.06525	11.9
133.10170	2.4
134.06773	1.1
135.04413	9.2
135.08034	6.2
136.05161	1.7
137.05975	55.9
138.06314	2.3
139.07556	2.7
141.78769	1.1
143.08546	1.2
145.06490	1.5
145.10126	4.1
147.04396	21.8
147.08037	2.2
148.05128	1.6
149.05978	27.2
151.03914	4.5
151.07556	13.9
153.01865	2.5
153.05464	36.1
157.10109	2.0
159.04399	2.1
159.08022	2.4
159.11722	1.5
161.05968	11.9
161.79858	1.4
162.06763	2.2
163.03868	4.9
163.07538	39.2
163.08878	2.0
164.08342	40.1
165.05478	24.7
165.06935	1.9
165.08968	4.0
167.07047	15.7
173.05899	1.8
173.09569	1.5
174.06853	1.2
175.07655	1.3
176.04712	3.3
177.05443	19.7
177.09090	3.1
178.06104	2.0
178.09741	2.4
179.07033	68.9
180.07462	4.4
181.04984	1.9
181.08673	1.7
182.15457	1.4
187.11176	1.9
189.09036	1.7
191.05284	2.5
191.07019	43.6
193.08699	1.4
195.06493	8.6
203.07018	3.0
203.10724	1.5
205.08629	2.7
207.06520	1.3
207.10081	1.3
215.10735	1.4
217.08572	2.5
221.08124	3.3
229.08589	1.2
232.12029	1.0
237.08920	1.3
255.10184	1.5
283.09653	3.3
297.11252	3.2
313.14624	1.2
315.08591	2.6
315.12247	53.3
316.12607	5.0
329.13901	8.0
341.13815	15.5
342.14240	1.4
359.14917	1.9
377.11844	2.0
377.16052	2.5
377.20038	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37849	0.5
53.03932	1.5
54.10842	0.5
55.01853	1.1
58.14032	0.6
65.03935	6.0
67.05502	2.3
69.09104	5.5
77.03925	0.8
79.05493	1.8
80.52679	0.5
81.07048	0.9
91.05474	3.8
93.03405	4.8
93.07065	0.7
95.04969	1.7
98.22592	1.3
103.05456	1.0
105.04567	0.5
105.07022	2.5
107.04948	1.4
108.02110	3.4
109.10215	0.6
110.03682	0.7
111.04447	7.5
115.05553	0.5
117.07006	1.3
119.04960	1.9
119.08593	0.7
121.06467	1.4
122.03638	0.7
123.04467	1.1
123.08051	0.9
125.05984	8.4
128.06213	0.8
129.06966	2.7
131.04930	1.7
131.08568	0.6
133.06537	0.7
135.08049	5.4
137.05977	12.6
138.06364	0.7
139.54526	0.5
141.05476	3.0
146.07246	1.6
147.04413	0.7
147.08060	1.4
148.05212	0.6
149.05969	2.1
151.03906	100.0
151.05019	11.0
151.07494	10.2
152.04214	4.4
153.05467	16.2
157.06490	1.9
161.05959	14.3
161.09604	4.6
162.06424	1.0
163.07561	6.7
165.05492	2.3
165.06894	0.9
165.09093	0.8
167.07014	1.7
167.08466	1.0
174.06752	1.4
175.07500	1.3
177.05492	2.1
177.09155	2.1
179.07047	1.0
181.08632	1.6
189.05544	1.0
189.09096	14.8
190.09367	1.1
191.07037	10.4
191.08620	0.9
192.07451	1.1
193.06683	0.8
193.08569	3.3
193.10100	0.9
194.09244	0.8
195.08157	1.4
195.10179	4.8
197.06041	1.0
203.06950	0.6
203.08614	0.9
205.08635	1.1
207.10147	16.2
208.10507	0.9
210.06953	0.6
211.07579	1.3
217.08556	0.8
220.08961	0.7
221.05997	1.2
221.09657	1.6
223.07524	0.9
223.11382	0.7
224.08348	1.0
225.09102	2.5
227.10648	1.3
235.09610	4.9
237.09047	0.6
238.06128	0.7
239.06999	1.1
240.07788	1.0
248.08212	0.8
249.05382	0.6
251.10626	0.7
252.07881	0.7
253.08615	2.5
253.12248	1.8
254.08887	0.6
255.06717	0.6
255.10092	1.3
267.06497	0.6
268.07361	1.7
269.07791	0.8
270.08887	1.9
277.08792	0.5
281.08273	0.7
281.11734	2.5
283.09692	3.4
283.13324	2.6
285.11172	5.2
287.12781	2.4
291.10123	1.3
297.11258	1.4
299.12540	0.7
301.14310	0.8
309.11166	1.2
311.12848	1.2
313.10669	5.8
313.14328	4.6
314.11172	0.7
314.14703	0.8
323.12732	1.3
327.12411	0.8
329.13815	4.7
330.14301	0.9
331.15439	3.5
331.18741	0.7
341.13852	8.3
342.14014	0.9
347.14932	1.7
359.14877	16.0
360.15100	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.9
55.01862	4.4
55.05502	4.2
65.03946	3.0
67.05497	5.3
69.03421	4.9
69.07068	2.4
71.04976	2.4
71.31703	2.5
71.47068	1.7
73.57535	1.6
79.05492	14.2
81.03419	6.0
81.07050	8.1
83.04982	2.3
83.08627	2.6
85.02933	2.5
85.06541	4.7
91.05478	23.0
93.07020	9.2
95.04956	6.8
95.08607	5.6
97.06489	1.7
97.97312	2.1
98.81190	1.8
100.11269	7.7
103.05460	7.6
105.07018	12.7
107.04957	34.8
107.08596	6.0
109.02871	5.3
109.06493	4.8
109.10172	4.1
111.04439	2.8
111.08089	3.1
115.05453	6.8
117.07017	12.1
119.04956	12.4
119.08563	10.3
120.05697	1.8
121.06513	25.1
121.10161	4.1
123.04433	6.6
125.05976	2.3
127.03965	2.7
129.07022	1.9
131.04924	12.1
131.08522	3.4
133.06493	6.5
133.10092	2.4
134.07231	1.8
135.04433	18.6
135.08055	8.4
135.11710	3.7
137.05966	15.7
139.03949	9.3
143.08545	3.4
145.06523	5.5
145.10133	5.4
146.07268	34.9
147.04395	28.1
147.08083	14.4
148.05196	1.9
149.05963	4.0
149.09589	3.6
150.06760	3.7
151.03885	5.9
151.07547	28.3
153.05482	5.5
155.08542	1.9
157.10098	2.1
159.08034	3.1
159.11726	2.5
161.05983	4.7
162.06747	12.2
163.03897	31.8
163.07536	37.3
163.11156	2.2
164.08316	5.1
165.05492	21.8
165.09114	17.1
167.07050	6.5
169.04883	2.3
175.07578	3.3
177.05484	31.1
177.09099	28.7
178.09886	100.0
179.07028	4.8
179.10580	10.6
181.04990	6.2
181.12451	2.3
182.15411	2.6
187.14798	2.9
189.05432	5.6
189.09070	4.0
191.07053	4.6
193.08522	8.3
194.09320	3.5
195.10220	4.8
203.07063	7.9
207.06540	4.6
210.14914	3.3
215.10654	2.3
237.09099	2.6
281.11719	2.1
304.74017	2.4
315.12296	21.2
323.12662	6.0
329.13712	5.3
341.13843	19.9
377.15778	3.4
377.19818	2.8
403.87225	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	377.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	2.5
53.03949	2.7
53.36269	1.4
55.01875	8.9
55.05510	10.0
57.07080	9.6
59.04996	2.2
65.03937	3.5
67.05160	2.5
67.05507	35.1
68.99783	3.2
69.03430	7.7
69.07076	12.3
69.58519	7.4
71.01352	1.6
71.04993	57.1
71.08632	5.9
72.05344	1.3
77.03948	2.3
77.12482	1.1
79.05489	19.4
81.07053	25.4
83.01328	6.6
83.04997	5.2
83.08622	4.0
85.06551	6.8
87.58496	1.2
89.06031	20.3
91.05476	21.8
93.07042	25.6
95.04968	14.0
95.08607	56.1
96.08945	1.8
97.06528	4.3
97.10164	1.7
99.08094	10.8
103.05462	3.3
105.03398	2.6
105.07028	47.7
107.04973	4.1
107.07076	2.2
107.08595	25.7
109.06518	16.2
109.10168	14.7
111.04438	2.9
111.08073	5.1
113.05999	14.5
113.09641	9.1
115.05476	5.5
116.06277	1.3
117.07024	12.0
119.04950	6.2
119.08581	19.8
121.06503	28.2
121.10130	10.5
123.04422	23.5
123.08068	15.0
123.11701	4.8
125.06033	2.5
125.09630	2.3
127.07534	7.9
128.06189	6.4
129.07001	20.9
130.07774	1.4
131.04915	1.7
131.08571	21.5
132.05711	2.0
133.06496	34.4
133.08604	7.8
133.10124	18.9
135.04439	4.2
135.08051	25.5
135.11667	7.9
136.08424	1.4
137.06001	4.4
137.09610	9.4
139.03911	2.2
139.07565	2.2
141.05489	5.2
141.06976	4.4
142.07787	5.3
143.08594	9.1
145.06494	12.2
145.10135	12.0
147.04364	2.4
147.08032	20.7
147.11731	4.1
149.06003	7.5
149.09683	11.7
149.13284	1.5
151.07545	5.9
151.11179	19.5
152.11537	2.2
153.05508	3.2
153.07014	3.6
155.03447	3.1
155.08536	6.9
156.09338	4.9
157.04988	6.8
157.06503	18.9
157.10066	7.7
158.07269	5.1
158.11015	1.6
159.04485	2.3
159.08047	18.9
159.11655	8.0
161.05968	37.1
161.09598	7.5
161.13309	2.0
162.06558	2.3
163.07568	10.9
163.11176	5.3
163.14825	2.7
165.05473	7.7
165.07021	5.0
165.12762	2.8
166.07808	5.8
167.07063	21.5
167.08537	3.7
168.09337	4.4
169.04976	9.7
169.06480	3.3
169.10114	5.7
171.06554	3.8
171.08067	13.8
171.11734	5.1
172.08690	1.6
173.05959	9.0
173.09637	9.2
173.13284	7.3
175.07552	28.8
175.11195	5.8
176.07967	1.3
177.05484	5.4
177.09102	13.0
177.12740	3.1
179.07053	20.9
179.08508	2.2
179.14352	1.5
181.05040	2.8
181.06529	2.7
181.08589	4.1
181.10162	8.3
181.12225	1.3
182.10881	2.0
183.06525	12.0
183.08092	8.7
183.11716	11.9
184.08887	4.1
185.05974	16.8
185.09604	15.1
186.06595	1.4
186.10272	1.3
187.07564	7.9
187.11206	6.0
188.04704	1.9
189.05498	9.9
189.09093	4.3
189.12793	2.3
190.06129	1.6
191.07047	29.4
191.08699	2.4
191.10687	5.3
191.14209	1.7
192.07463	1.8
192.09409	2.1
193.08580	2.0
193.10181	2.7
194.07254	2.2
195.08070	3.7
195.10452	1.3
195.12238	8.4
196.08789	3.7
197.06226	2.2
197.08107	11.5
197.09654	2.8
197.11565	1.5
197.13330	2.7
198.06798	1.9
199.07515	6.0
199.11198	13.5
200.08409	1.8
201.05586	1.6
201.09120	12.8
201.12730	14.0
202.06267	9.5
203.07039	49.9
203.08902	2.9
203.10634	3.0
203.14308	7.6
204.07442	3.4
205.08629	5.8
205.12262	3.2
207.06526	13.7
207.11723	4.1
207.13789	2.7
209.07861	6.8
209.09750	14.9
210.10229	3.3
211.07668	3.4
211.11136	10.7
212.08270	10.5
213.05632	1.8
213.09067	14.1
214.09616	2.0
215.07024	8.8
215.10640	4.9
215.14302	3.9
217.08592	4.1
217.12126	2.9
219.06761	1.9
219.10190	16.4
219.13802	19.3
221.08046	10.3
221.15427	4.1
223.09526	2.2
223.11382	1.9
225.05336	2.2
225.07466	18.8
225.12692	9.4
227.09073	22.6
227.10760	22.7
227.17914	1.7
228.11227	3.7
229.08607	4.6
229.12222	27.5
231.10081	8.6
233.11726	3.1
235.11339	2.5
237.09100	8.3
238.09860	3.2
239.07057	2.8
239.10728	4.9
240.07800	18.1
241.08435	3.6
243.10156	7.7
243.13794	17.7
245.11714	7.9
245.15379	2.7
247.13297	49.7
248.13734	3.0
251.10701	1.8
253.12259	13.5
255.10155	79.3
256.10635	5.5
257.11752	2.2
257.15369	2.7
259.09628	1.9
261.11209	16.3
261.14838	12.2
261.22314	1.4
265.14374	6.0
267.10229	3.6
267.17154	1.8
269.11703	1.8
270.12405	1.9
271.13293	50.6
271.16479	2.6
272.13727	3.1
273.11197	78.2
274.11606	7.2
279.12326	7.5
279.15726	2.2
281.11725	4.6
283.13144	1.8
285.11258	3.1
285.14917	1.5
285.18552	4.1
289.14334	100.0
290.14706	4.9
291.12210	6.9
291.19537	1.7
295.16910	16.4
298.11981	2.1
299.16388	2.3
303.15906	2.0
305.15417	2.5
307.15390	38.3
308.15634	1.8
308.27545	1.4
313.14325	18.8
313.17990	23.7
314.14572	1.8
315.19498	7.2
317.17328	1.9
323.16418	17.8
331.18909	8.8
341.17468	62.7
342.17877	6.5
349.20300	1.5
359.18488	61.6
360.19006	6.4
377.19507	21.0
377.23938	1.9
377.31339	7.5
378.19968	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1958
Annotation	Glaucogenin A
Peak:m/z	Relative Intensity
53.03933	0.4
55.01863	0.5
55.05504	1.1
55.32893	0.3
57.07076	2.6
58.85708	0.3
59.05017	0.4
62.64680	0.3
64.87563	0.3
65.03954	0.3
67.05505	5.2
69.03423	1.7
69.07063	1.2
69.19524	1.2
69.19938	1.2
71.04993	1.3
79.05491	4.6
81.07058	31.7
82.07385	0.8
83.04976	0.3
83.08633	0.4
85.06511	0.5
91.05469	1.7
93.07046	2.8
95.04970	0.8
95.08607	6.8
96.08949	0.3
98.23345	0.5
103.05502	0.3
105.07037	2.8
105.93536	0.3
107.08579	2.2
109.06535	0.8
109.10148	1.2
111.08089	0.3
113.06001	0.3
117.07064	0.4
119.08577	2.0
121.06469	0.9
121.10145	7.2
123.04431	0.5
123.08086	0.8
123.11707	100.0
124.12048	3.2
125.02340	0.5
129.06984	0.4
131.08575	1.3
133.06432	0.3
133.10139	1.1
135.08046	0.8
135.11693	0.8
137.05956	0.4
139.07545	0.4
145.06639	0.3
145.10094	1.1
147.08138	0.3
147.11694	0.5
149.06007	1.7
149.09622	4.3
151.07599	0.3
153.05518	0.5
157.10135	0.6
159.08076	0.4
159.11710	0.5
161.06015	0.4
161.09679	0.3
163.07591	0.8
167.03368	0.8
167.06973	0.7
171.08119	0.5
173.05933	0.6
173.09618	1.5
175.07555	0.3
175.11201	0.9
177.05518	1.6
177.09200	0.5
179.07085	0.3
181.08546	0.6
185.09644	0.5
185.13301	0.4
187.11203	0.5
189.09062	0.4
191.07010	3.1
191.10696	0.8
193.08611	0.8
194.17342	0.3
195.06554	1.5
195.11742	0.3
201.12724	0.3
205.08577	0.9
209.08023	1.6
209.11736	0.5
211.09628	1.3
211.11353	0.5
219.06506	1.8
219.09953	0.4
221.08109	1.3
227.10725	0.5
229.12279	1.2
231.10017	0.3
237.07564	10.5
238.07886	0.7
239.09122	0.3
243.10262	0.5
247.13301	2.0
255.08498	4.2
265.12277	0.5
265.96735	0.3
271.13428	0.7
273.11182	0.3
283.13354	0.6
287.12524	0.4
289.14438	0.7
295.16910	0.5
299.12915	0.4
299.16382	0.9
313.18015	1.0
317.17392	0.7
323.16434	0.9
328.47034	0.4
331.18973	0.3
341.17484	4.8
342.17801	0.5
359.18552	7.5
359.22830	0.6
360.18826	1.1
377.19565	26.6
378.19843	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1958
Annotation	Macrocalyxin B
Peak:m/z	Relative Intensity
53.03953	1.8
55.01863	3.5
55.05512	5.7
55.12427	1.6
59.05001	4.0
67.05505	16.1
68.99773	2.1
69.03430	17.6
69.06006	3.4
69.06417	12.7
69.07071	5.5
71.05003	6.0
79.05482	10.4
81.07056	14.6
83.04970	3.0
83.08633	2.4
85.06560	3.2
91.05479	22.6
93.07040	18.8
95.04946	9.3
95.08611	45.5
97.06554	3.3
99.08103	1.8
105.07034	28.8
107.04975	4.9
107.08589	21.1
109.06525	6.5
109.10143	12.1
111.04455	2.9
111.08108	2.6
113.06001	8.9
117.07016	4.5
119.08578	13.7
121.06516	7.0
121.10141	9.8
123.04408	4.3
123.08077	3.0
123.11713	6.6
125.05965	3.3
125.09703	1.9
127.03911	2.7
129.07043	3.1
131.04959	2.1
131.08566	9.7
133.06480	8.2
133.10132	28.4
135.04419	2.2
135.08051	5.1
135.11702	13.8
137.06006	5.1
137.09592	4.7
141.05453	2.1
141.06996	3.7
143.08582	5.0
145.06488	2.2
145.10146	6.0
147.08087	4.0
147.11710	5.8
149.05998	17.5
149.09616	14.6
149.13263	2.0
151.03954	3.3
151.07520	4.6
151.11145	11.6
153.05466	5.8
157.04965	1.8
157.10182	2.8
159.08029	5.8
159.11728	5.3
161.06013	4.7
161.09622	3.8
163.07591	4.8
163.11189	2.0
165.05513	2.5
165.06886	1.7
167.07088	4.1
167.10657	2.2
169.06471	6.6
169.10153	2.7
171.07997	2.5
171.11649	2.0
173.06003	6.2
173.09694	2.0
173.13260	3.7
175.07538	6.6
175.11174	3.0
177.05455	4.1
177.09114	3.9
179.07030	12.6
181.08636	5.5
183.08118	5.5
185.08151	2.8
185.09639	4.2
185.13322	3.0
187.07582	6.7
187.11162	3.2
189.05624	1.7
189.09250	3.6
191.07060	16.0
191.10707	1.7
192.07845	2.8
193.08575	4.7
195.08109	1.8
197.13240	2.1
199.11208	1.6
201.08987	2.6
201.12758	4.2
203.07066	5.7
203.10655	2.8
204.11122	1.6
205.08589	15.1
207.06598	2.0
209.08076	59.1
210.08565	2.7
211.11160	9.8
215.07037	2.0
221.08084	33.1
222.08449	2.4
223.09695	5.0
225.12799	2.7
229.08673	4.2
229.12262	9.6
233.08101	4.5
235.11343	1.9
239.10896	2.9
243.10175	2.8
243.13753	2.1
247.09581	2.8
247.13350	6.7
251.09227	2.2
253.12247	3.3
255.10197	7.2
258.12238	2.1
261.14957	2.6
263.10681	7.4
267.10190	3.4
271.13315	15.2
277.15942	2.0
279.10236	8.0
280.10913	2.5
281.11722	10.1
281.15329	5.1
289.14304	18.6
293.11716	7.4
295.16910	1.8
297.14850	3.3
299.13083	2.2
299.16425	9.8
307.15424	5.1
308.14090	1.8
311.23135	1.7
313.17847	4.1
314.46866	1.7
315.15903	2.3
317.17548	2.5
323.16382	33.2
324.16727	2.3
331.18906	13.9
341.17477	83.3
342.17798	8.5
359.18518	100.0
360.18936	8.2
377.19275	15.1
377.22702	2.8
377.27774	3.0
377.32260	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	377.1959
Annotation	NORCAESALPININ E
Peak:m/z	Relative Intensity
51.51498	1.1
53.03930	1.7
54.62701	1.1
55.05513	5.5
57.07077	2.3
59.67186	1.2
61.91911	1.2
67.05507	10.7
68.99788	1.1
69.03442	5.2
69.07079	7.1
69.19700	2.9
69.20099	9.1
71.04993	6.6
79.05484	10.9
81.07060	11.0
83.01358	3.0
83.04967	3.0
83.08614	3.4
85.06525	1.6
88.07626	1.9
91.05479	14.5
93.07045	16.6
94.12607	1.2
95.04961	6.1
95.08607	10.5
97.02905	2.0
97.06547	2.9
97.10144	1.8
98.23269	2.2
99.04446	1.9
105.03407	6.2
105.04465	1.2
105.07034	17.7
107.04982	3.1
107.08591	79.7
108.08935	2.1
109.06512	6.3
109.10162	13.1
111.08054	1.2
113.06010	4.0
115.05420	1.7
115.72818	1.5
117.07011	4.3
119.08597	12.2
121.06465	5.8
121.10146	11.3
123.04440	4.3
123.08095	2.4
123.11720	2.5
125.05996	2.5
125.09618	2.3
131.08568	6.0
133.06508	3.5
133.10136	12.7
135.08075	4.7
135.11703	10.6
137.06058	1.5
139.03900	4.0
139.07552	1.8
141.05492	1.8
142.07837	1.1
143.08543	2.1
145.06546	3.3
145.10130	5.1
147.07991	2.1
147.11702	12.3
149.06000	15.0
149.09612	7.7
149.13268	1.1
151.07487	1.6
151.11180	59.4
152.11589	2.8
153.05467	4.3
157.10143	3.6
159.08028	2.8
159.11676	5.9
159.78853	1.1
161.06012	1.5
161.09639	3.0
161.13263	2.1
163.07573	6.8
163.11203	3.3
165.05534	1.9
167.03418	3.5
167.07037	7.6
169.10144	2.1
171.11633	2.5
173.05998	14.3
173.09596	2.0
173.13281	2.7
175.07568	2.1
175.11191	12.0
177.05508	2.8
177.12784	2.3
179.07054	2.5
181.08607	6.4
183.06564	1.2
183.08031	1.9
183.11745	3.5
185.09586	2.5
185.13264	3.4
187.07564	3.0
187.11191	5.8
189.09128	2.9
191.07039	30.6
191.08696	2.2
191.10622	1.7
192.09328	1.4
193.08528	2.8
193.10133	2.1
197.13243	2.5
199.11073	1.5
201.09248	1.6
201.12706	3.0
201.16400	1.7
205.08647	4.9
205.12216	10.7
207.06555	2.2
207.11659	1.6
209.08080	64.2
210.08427	2.8
210.10371	2.1
211.11212	5.1
213.09164	2.4
215.10759	2.2
217.08557	1.9
219.10022	2.0
221.08040	2.6
221.15366	2.3
223.09598	3.2
225.12779	3.2
227.09163	3.5
229.08601	2.9
229.12190	13.1
233.07886	1.4
235.09708	3.9
237.09108	2.1
238.09775	1.6
239.10727	4.8
239.17871	2.1
243.10176	1.9
243.13766	1.7
247.13309	9.9
251.09070	14.6
253.12367	8.2
253.15906	2.0
254.12669	1.6
255.10184	2.2
256.26285	4.8
257.15479	1.8
263.14197	1.4
265.08606	2.5
265.12183	1.4
271.13290	11.6
271.16553	3.0
275.16507	1.7
280.10992	7.8
281.11710	11.3
281.15332	4.2
287.12817	4.5
289.14450	6.0
293.11642	2.9
295.16760	6.2
299.12766	3.5
299.16479	8.0
300.16843	2.3
305.15408	1.6
308.14072	2.6
313.17911	9.3
315.15778	2.3
317.17422	20.9
318.17886	2.8
321.27600	1.4
323.16385	27.3
324.16721	3.5
331.19019	4.7
341.17471	100.0
342.17880	9.5
359.18521	52.4
359.25302	1.9
360.18848	5.3
377.10040	1.9
377.19144	13.2
377.23221	5.4
377.31525	3.5
378.30048	5.6
398.78482	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1958
Annotation	NORCAESALPININ E
Peak:m/z	Relative Intensity
55.05510	8.1
57.07071	3.7
59.86314	1.4
65.03926	1.5
67.00876	1.3
67.05502	13.7
67.75318	1.3
68.99780	1.5
69.03412	4.4
69.07069	10.8
70.66673	3.5
71.04992	6.5
74.05827	1.2
79.05495	15.0
81.07056	25.6
83.01304	1.4
83.04973	3.7
83.08601	5.8
91.05482	20.4
93.07037	23.3
95.04993	2.9
95.08609	24.5
97.02922	2.0
97.06516	1.9
97.10134	3.5
105.03374	2.3
105.07029	27.4
107.04996	1.7
107.08588	90.8
108.08935	2.8
109.06509	4.7
109.10143	21.2
111.04428	2.1
113.05993	3.5
115.05472	1.8
117.07003	7.6
118.27219	1.4
119.08581	26.6
121.06478	2.3
121.10136	19.7
123.04437	2.1
123.08073	2.3
123.11698	8.2
125.06020	1.9
125.09645	1.5
128.06180	1.4
129.07001	3.5
131.08554	17.5
133.10129	19.3
135.08041	4.9
135.11688	15.9
137.13258	2.3
139.03914	2.2
139.07553	2.7
141.05463	2.3
141.07040	2.1
142.07755	2.9
143.08551	8.6
145.06467	2.2
145.10127	17.7
147.08070	2.4
147.11684	21.0
148.12085	1.7
149.05998	6.1
149.09651	7.2
149.13261	6.8
151.11182	36.5
152.11494	2.0
153.05511	6.7
155.08585	5.1
156.09424	1.7
157.10117	13.1
158.10854	1.5
159.11682	18.8
161.09595	2.2
161.13234	17.1
163.07559	4.6
163.11250	2.2
163.14813	8.6
167.03426	4.9
167.07040	3.0
169.10107	8.1
170.10933	2.3
171.11688	11.6
173.05980	6.4
173.13225	8.8
175.07677	1.5
175.11174	10.9
175.14845	3.9
177.05487	2.3
177.12642	2.7
177.16402	1.4
179.08495	1.4
181.08600	5.3
181.09996	2.8
182.10835	2.2
183.08047	1.6
183.11655	9.0
184.12268	1.6
185.13237	19.7
187.07538	2.0
187.11256	6.9
187.14790	23.9
189.09116	1.7
189.16370	9.2
191.07037	18.8
191.10664	2.7
191.17947	5.4
193.10248	1.7
195.11768	2.2
196.12457	2.3
197.13217	7.9
199.14803	6.0
201.09131	2.2
201.12772	4.3
201.16415	9.2
203.18047	2.4
205.08617	3.7
205.12215	8.0
209.08064	36.6
209.09999	1.9
209.13245	2.7
210.08434	1.7
211.11195	3.8
211.14868	4.2
213.16415	7.2
215.17966	5.1
217.08530	2.2
217.19518	2.1
223.09628	2.7
223.14929	1.7
225.12794	2.6
225.16389	8.1
227.09123	3.6
227.17966	7.1
229.08508	2.4
229.12180	8.4
235.09570	3.3
237.09148	1.5
237.16431	3.3
239.10706	2.4
239.14366	1.7
239.17958	9.5
241.19417	6.6
243.10162	1.6
243.13763	1.8
243.21104	2.4
247.13306	5.3
251.09109	34.8
251.17981	2.3
252.09410	1.8
253.12196	6.9
253.19437	6.9
255.10085	2.0
255.21042	3.0
257.11737	2.2
257.15488	1.8
265.19626	3.7
267.21109	6.1
271.13293	12.8
271.16519	2.3
277.10855	2.5
279.21069	2.9
280.11032	5.5
280.14642	1.8
281.11707	9.5
281.15353	4.2
281.22620	5.9
282.12402	1.9
283.24344	1.9
287.12704	3.0
289.14291	4.8
293.11816	2.3
293.22681	4.2
295.16870	4.6
295.24091	2.4
299.12903	5.3
299.16409	9.9
305.15375	2.7
307.24130	5.3
308.14090	3.2
313.17972	11.0
315.16013	2.3
315.19662	1.6
317.17499	16.3
318.17752	1.6
321.25699	4.6
323.16382	23.6
331.18875	2.9
335.27158	3.4
341.17465	80.7
342.17737	6.7
359.18521	48.5
359.29459	1.6
360.18829	5.5
377.19199	12.5
377.32016	100.0
378.20187	2.0
378.32272	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	377.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.0
55.01866	2.1
55.05514	90.4
56.05849	1.8
57.07067	3.1
61.22522	0.9
65.03922	0.9
67.05507	26.6
67.29446	0.8
69.07067	8.9
69.40262	6.2
71.04993	1.6
71.08632	29.0
72.51871	1.0
79.05495	29.6
81.03423	3.7
81.07062	35.8
82.07406	1.3
83.04986	5.1
83.08626	50.2
85.06554	2.2
86.09689	1.6
89.06020	2.2
91.05482	16.2
93.07048	37.7
94.07385	1.8
95.04967	5.3
95.08610	24.4
97.06539	5.0
97.10162	2.5
99.08100	25.9
105.07036	15.2
107.04962	5.2
107.08598	22.8
108.09000	1.2
109.06528	1.7
109.10165	8.0
111.08067	1.8
113.09692	1.9
117.07008	3.7
119.08583	12.0
121.06512	1.3
121.10146	25.4
123.11720	2.0
129.06993	1.4
131.08560	4.1
133.10121	7.9
135.08014	1.5
135.11696	30.9
136.12038	2.0
137.09605	2.4
137.13258	1.2
139.11121	1.1
141.09065	2.8
143.08578	1.7
145.10155	3.2
147.11671	4.2
149.09628	1.3
149.13248	9.8
151.11198	9.0
153.12845	1.3
157.10110	0.9
159.11703	2.7
161.13290	7.1
162.13623	1.0
163.11224	3.6
163.14778	2.1
165.12779	1.3
167.10690	2.4
171.11719	2.6
175.14850	1.2
177.12749	3.2
179.14313	100.0
180.14706	4.4
185.13289	1.9
189.12778	2.6
195.13797	2.7
221.15402	3.0
235.16899	3.6
238.58682	1.2
241.19553	1.9
259.20471	4.6
277.21625	53.0
278.21997	5.8
295.22290	1.1
370.46185	0.9
377.31973	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48051	8.6
60.04528	12.1
64.30739	8.2
69.65681	47.9
85.02893	21.1
95.04938	20.9
123.04435	19.4
130.12724	9.6
140.04678	100.0
155.06998	42.6
181.04965	13.5
199.06001	89.1
200.70090	9.1
249.32939	8.5
378.10489	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	378.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
54.55809	0.7
55.01881	2.1
60.04520	1.8
61.02928	1.6
69.03407	1.7
71.06185	1.3
79.05479	1.8
81.03392	1.5
85.02905	9.0
85.74082	0.9
91.05465	4.4
93.07053	6.0
97.02860	2.6
103.05465	4.8
105.06970	1.7
107.04936	1.9
121.06496	14.0
127.03896	1.6
135.08041	2.8
137.05984	2.7
138.03082	0.9
138.06294	1.2
140.04659	1.7
145.04951	2.1
149.05968	19.2
153.05453	31.3
154.05803	1.0
163.07530	1.4
166.06270	2.4
180.08711	1.3
181.08585	100.0
182.08997	4.3
199.09631	19.0
199.11353	1.5
200.10077	1.2
207.46695	0.8
343.02301	0.9
360.23737	1.3
376.97665	1.0
379.09592	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	378.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60742	3.2
51.89505	3.1
56.15064	2.9
69.03427	3.4
70.46383	9.3
72.04537	4.2
74.06069	5.3
83.68852	3.0
85.02917	6.6
97.02909	4.6
103.05470	11.0
107.04933	4.9
127.03839	2.8
137.05978	100.0
163.07533	9.6
181.08603	17.1
245.00826	3.4
316.13098	3.6
395.41931	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	378.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57127	1.2
69.03416	2.1
70.26963	4.2
81.03392	1.8
85.02896	6.5
94.23873	1.4
97.02901	2.8
100.29369	1.2
111.07745	1.2
135.34619	1.2
137.05974	100.0
138.06288	4.6
151.07532	1.6
163.07487	1.6
181.08606	15.2
223.53383	1.5
314.76016	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.01864	1.4
57.03420	1.1
69.03434	1.4
71.34829	1.5
79.05474	1.0
81.03425	1.8
85.02911	9.1
91.05476	8.7
93.07036	9.4
95.04963	1.4
97.02893	3.5
103.05466	4.1
120.05745	1.3
121.06512	14.4
123.04366	1.1
124.05154	1.0
125.05949	2.1
127.03920	2.4
137.05984	2.5
140.67044	1.0
145.05013	1.5
148.05208	1.7
149.05989	3.2
150.75371	0.9
151.03914	2.6
151.07597	1.0
153.05579	1.4
166.06206	8.4
181.08597	100.0
182.08981	4.0
199.09659	61.8
200.09990	3.0
202.07170	1.2
204.08856	3.8
209.08163	1.1
215.08078	1.1
216.08810	36.4
218.10329	3.0
225.06494	3.3
230.10255	5.0
240.08824	10.7
242.10466	2.1
246.09926	5.6
258.09689	2.4
283.09515	1.1
286.09369	15.0
333.13074	1.3
347.10861	2.3
361.12485	2.0
379.13596	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	378.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19065	0.5
51.40789	0.5
55.05494	1.5
65.82972	0.6
69.59440	3.1
73.02908	0.7
79.05473	1.3
79.08885	0.5
81.03421	0.6
81.07027	0.6
82.06544	1.4
83.04982	1.0
85.02924	0.8
89.03886	0.8
90.60677	0.5
90.84137	0.6
91.05472	2.0
95.04944	0.9
95.08619	0.8
107.04950	1.7
121.06491	1.1
123.04423	1.6
124.03957	3.4
128.07050	3.5
135.04388	0.7
137.05962	4.5
138.06760	1.2
145.06468	0.7
147.04343	0.8
148.05185	10.6
149.04247	0.6
149.05615	1.0
151.03868	2.1
151.07553	1.1
161.05962	1.6
163.07521	1.3
166.06265	0.8
167.07022	0.9
181.08589	100.0
182.08905	5.7
187.48927	0.5
193.28326	0.5
197.04388	0.6
199.09650	0.6
200.04852	0.7
207.06451	1.0
216.16458	0.5
233.07999	1.1
236.14999	1.0
261.07700	1.2
279.08698	1.1
326.10806	0.7
378.11703	1.1
378.19385	1.2
378.24396	0.9
379.12357	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41880	1.1
57.85585	1.1
69.01930	12.1
69.03410	1.6
82.27259	1.2
85.02885	6.3
99.04440	1.3
122.03637	1.8
137.05980	100.0
138.06284	4.2
151.07614	2.0
163.07524	2.0
181.08621	12.5
204.10805	1.2
255.64395	1.2
336.87396	1.2
343.48456	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28121	3.6
66.12806	3.6
69.05527	5.4
69.05930	33.1
77.78195	3.4
78.69078	3.3
79.05493	5.5
81.03387	5.0
89.75977	3.6
90.66388	3.3
91.05466	21.5
91.55113	3.6
93.07024	4.2
98.22549	6.6
103.05416	4.4
105.07053	7.4
107.04958	16.3
107.08573	16.9
109.06501	4.2
109.50547	3.7
111.04458	5.4
111.53700	3.9
113.55005	4.0
115.05479	5.8
117.07031	5.6
119.04919	10.0
121.06490	5.9
129.06990	5.6
131.04889	6.3
135.08054	36.1
136.05191	4.0
136.80893	3.8
137.05975	78.8
138.35229	3.8
147.04385	6.0
149.05980	4.9
151.03920	9.0
151.07538	51.4
152.07829	4.8
152.68651	3.5
153.05492	4.6
157.06471	6.8
161.05972	73.9
161.09590	15.8
163.07527	44.0
167.07051	4.0
174.06712	7.5
175.07553	10.3
177.09143	4.4
181.08557	13.3
189.09088	58.1
191.07005	4.6
193.08536	4.6
195.08043	11.3
207.10153	100.0
219.10033	4.3
221.05984	5.3
223.07500	4.6
225.08961	4.4
227.10614	12.3
253.12222	7.8
255.10062	9.8
272.23169	4.1
285.10959	7.8
287.12845	37.8
301.14297	4.1
313.14401	29.4
325.12775	5.9
331.15305	32.3
332.15735	3.9
376.35168	3.7
378.09473	4.0
378.18994	10.3
391.68909	4.4
396.96924	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71818	0.3
54.01339	0.3
54.03445	0.5
55.01871	0.4
55.05471	0.3
56.11422	0.3
57.20448	0.3
61.85348	0.3
66.34226	0.3
68.05015	0.5
68.21855	0.3
69.50054	1.1
69.50461	0.5
70.06583	0.7
74.83720	0.3
93.07027	0.3
94.06548	0.4
96.05595	0.3
118.67840	0.4
124.05029	1.4
130.04930	0.6
143.99150	0.3
149.04605	2.0
166.07272	1.4
181.08597	0.4
182.08920	1.5
188.09100	0.4
189.06429	1.1
189.10095	0.4
192.05153	0.4
200.09926	0.8
201.06427	1.6
202.07246	4.0
203.07990	3.0
204.08809	10.3
205.09070	0.6
214.07074	0.4
215.07933	1.9
216.08794	100.0
217.09377	8.1
218.10333	9.0
219.10687	0.5
225.06429	5.1
226.07185	1.9
227.08109	1.5
228.08684	1.1
229.09592	1.4
230.06726	0.7
230.10364	11.3
231.10574	0.6
232.08354	0.5
240.08788	22.6
241.09210	1.9
242.10384	5.2
244.08350	2.1
246.09846	14.7
247.10210	1.0
255.09836	0.6
257.11377	0.8
258.09808	6.3
259.10196	0.4
268.08234	1.0
269.08582	0.4
283.09323	2.1
286.09326	30.0
287.09589	2.1
315.11890	2.3
329.09937	1.4
333.13074	2.8
343.11392	1.6
347.10983	2.5
361.12531	4.4
361.16946	0.4
361.18732	0.3
362.12784	0.5
379.09305	1.6
379.13602	29.6
380.13879	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	379.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
61.42258	0.3
65.26257	0.3
69.91180	1.5
79.05469	0.3
80.14973	0.3
98.22560	0.4
112.14401	0.3
127.55925	0.3
130.33835	0.4
140.72226	0.3
167.07066	0.4
185.04218	4.4
201.05185	4.0
206.75262	0.3
216.07574	22.2
217.08334	16.2
218.08658	0.7
348.11807	3.8
349.12549	1.9
379.13596	100.0
380.09198	0.5
380.13983	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	379.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50039	0.7
53.03934	1.2
55.01863	2.0
64.74792	0.7
65.03924	8.3
67.05492	4.4
67.09489	0.8
69.03420	2.4
69.07076	0.7
79.05484	4.8
80.42749	0.7
81.03421	0.9
82.04190	2.9
83.01306	0.9
83.04978	1.2
85.02895	4.9
91.05476	11.6
93.03401	2.0
93.07042	2.1
95.04971	2.4
97.02888	1.1
97.06505	2.2
105.04573	1.0
105.07031	2.7
107.04945	4.4
107.08563	1.0
108.02110	1.7
108.05699	0.9
109.06512	2.3
110.03660	3.2
111.04451	1.8
115.05438	0.8
118.04144	2.3
119.04963	4.4
119.20048	0.7
121.06497	6.2
123.04417	2.7
123.08073	1.7
125.05984	2.7
131.04892	1.2
133.02855	1.0
133.06490	2.2
134.03587	0.8
135.04370	1.4
135.07993	1.0
136.05177	2.0
137.05951	5.1
138.03094	1.9
139.03888	1.4
141.07059	1.0
142.02605	3.0
146.03638	2.9
147.04427	2.4
149.02367	1.0
149.05963	1.5
151.03804	0.8
151.07516	6.1
152.06085	1.0
153.05487	3.9
153.06940	1.5
161.05959	1.6
163.03867	1.0
163.07523	0.9
164.04652	2.9
165.05449	1.9
165.06866	1.8
167.07028	20.4
167.08470	1.5
169.06458	1.1
171.06494	2.6
175.07570	1.1
179.07028	50.4
180.07355	2.1
181.04951	95.4
181.06355	4.4
181.08414	9.0
182.05258	3.8
183.08006	0.9
185.09706	1.1
189.05554	1.0
192.04083	3.9
193.04854	1.4
193.08572	2.3
195.08003	1.7
197.05948	1.4
198.06779	2.4
207.06511	100.0
208.05296	0.7
208.06931	5.8
209.05934	1.7
211.07666	1.0
212.08316	1.0
213.09097	3.1
215.06898	0.8
225.05562	1.6
226.06125	2.0
227.06868	0.9
227.10608	0.9
237.05499	1.0
238.06030	0.9
239.07033	1.0
240.07614	0.8
241.08626	6.3
243.06413	1.4
245.11880	0.8
255.10197	1.4
258.08743	0.8
269.08029	3.6
271.05923	1.2
273.11224	6.8
275.09329	1.0
286.08258	1.3
301.10660	11.0
302.11099	1.2
318.10922	0.9
329.10025	1.5
333.13312	16.1
334.13663	1.4
361.12936	5.5
379.08569	0.8
379.22000	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41396	2.3
52.53284	2.1
55.01873	4.1
55.05516	3.0
64.58403	2.2
64.70702	2.5
67.05495	2.9
68.99791	4.4
69.03406	4.9
69.07059	2.7
71.32800	3.1
79.05496	9.1
81.03436	2.4
81.07055	4.5
83.04961	2.5
91.05476	14.6
93.07018	12.0
95.04944	4.7
95.08598	3.4
100.58755	2.3
101.43166	2.3
103.05446	15.6
105.03387	2.6
105.07024	36.9
107.04981	4.7
107.08588	4.0
108.05768	2.6
109.02905	7.9
109.06502	3.0
109.10167	3.8
111.00815	11.8
111.04433	5.8
115.03923	2.5
115.05426	11.4
118.04140	3.8
119.04933	4.5
119.08581	6.7
121.06498	31.9
123.04427	5.8
123.08084	8.1
126.03141	15.3
131.08582	2.6
133.06480	30.9
135.08015	4.1
137.05962	22.5
137.09598	2.4
139.03882	4.3
141.05460	76.8
141.54007	2.4
142.05884	4.2
143.04967	4.0
147.04457	4.4
149.05962	11.4
150.06770	3.0
151.07526	34.7
153.01840	3.7
153.05481	7.9
154.06235	4.4
159.05582	2.6
159.08009	3.1
161.05965	22.6
163.03880	15.3
165.09119	10.9
167.07036	44.4
168.04175	6.8
168.07796	2.9
169.04982	20.9
175.07565	2.6
177.05479	44.3
178.06261	18.3
179.06889	3.0
181.04976	9.6
181.08620	12.4
189.16446	3.2
193.08583	34.4
194.09232	3.8
197.08057	4.3
209.08119	8.5
210.08717	2.7
212.04539	2.5
215.07060	3.2
225.11194	100.0
226.11603	4.5
228.07751	3.2
335.11212	27.5
379.13025	14.1
379.17261	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	379.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	8.6
57.03428	1.2
59.31544	0.5
65.87598	0.5
67.12957	0.6
69.03422	1.1
70.98104	1.0
71.30760	0.9
80.81474	0.6
81.07037	1.4
82.99862	0.6
85.02901	1.6
95.01315	0.7
97.02895	0.7
98.97591	3.1
99.08102	4.8
100.99171	1.0
101.00861	3.4
107.04975	0.8
110.97564	0.6
113.00871	2.4
113.02386	0.8
115.02401	1.5
116.98637	1.7
117.03999	3.7
119.01933	5.3
127.02412	1.1
127.03925	0.7
128.98642	1.0
129.03926	1.4
131.01895	7.2
133.03462	2.4
135.05051	2.2
137.00829	0.6
137.05949	0.8
143.00151	2.0
143.01912	2.7
143.05530	2.0
144.98090	2.8
145.03484	3.3
145.07077	10.0
147.05077	3.2
151.04591	0.6
155.01886	5.5
156.02655	0.8
157.03476	1.6
157.07103	1.6
158.99693	1.2
159.05081	0.6
161.01273	1.9
161.02977	3.9
161.06564	0.7
162.99213	3.2
163.08159	12.8
169.03551	1.0
169.04874	0.7
171.05029	2.1
173.02968	5.9
173.06647	3.4
175.02917	0.7
175.04468	1.3
175.08160	12.5
176.08344	1.2
177.00732	1.1
181.03522	0.7
181.07066	1.1
183.05034	0.7
183.08746	0.7
185.02975	1.0
185.06621	1.1
186.04491	0.7
186.99112	0.7
187.06319	1.3
187.08171	7.1
188.08511	0.6
191.04056	0.6
191.07658	0.7
193.09264	2.4
199.08153	12.6
200.08450	0.9
201.09773	2.3
203.04018	3.8
203.07655	1.6
205.00163	3.9
205.09230	1.6
211.08165	4.0
212.08263	0.7
213.09685	3.2
215.07710	0.8
217.09216	23.9
218.09464	1.4
219.01897	1.6
221.05080	12.1
222.05197	1.4
223.01241	6.2
223.08165	4.6
229.09219	25.4
230.09380	3.0
231.10791	3.6
235.08211	1.0
237.02904	0.9
241.02278	0.8
241.09244	3.6
242.09781	0.8
243.10733	0.9
245.05090	3.0
245.08817	0.8
248.11366	1.2
253.09171	6.2
254.09294	0.9
259.10425	3.3
263.06143	0.9
271.10260	1.7
273.02670	0.6
273.08154	3.1
275.10040	0.6
283.10269	1.7
289.11261	3.8
291.04010	0.9
291.09543	0.7
301.11353	2.8
319.12378	100.0
320.12595	11.9
337.13455	4.0
379.09991	4.9
379.14233	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	379.2115
Annotation	11alpha-Hydroxypoststerone
Peak:m/z	Relative Intensity
52.05533	1.0
53.03941	1.7
55.05510	6.3
57.07068	3.3
65.03952	1.3
67.05503	13.1
69.03429	1.3
69.07070	6.8
71.04997	6.1
77.65554	1.0
79.05487	9.8
81.07055	36.1
83.01344	4.9
83.04980	2.1
83.08625	2.4
85.06561	1.1
91.05482	11.7
93.07043	32.9
95.04961	2.4
95.08601	15.5
97.06530	2.4
97.10207	1.3
105.04491	0.8
105.07028	13.6
107.08591	41.5
108.08928	1.0
109.06533	4.1
109.10158	14.6
111.08099	1.6
113.05988	2.5
117.07087	1.1
119.08584	4.7
121.06536	4.1
121.10137	7.3
123.08058	2.8
123.11703	100.0
124.12066	5.5
125.09626	2.2
129.07016	1.1
131.08569	4.0
133.06442	0.9
133.10126	19.0
134.10477	1.8
135.08078	5.6
135.11682	2.5
137.05984	4.1
137.13300	1.0
139.11229	0.8
143.08566	1.9
145.10150	4.0
145.86629	0.9
147.08066	1.7
147.11711	3.0
149.06012	0.9
149.09628	3.1
151.03888	0.8
151.07567	0.9
151.11186	21.6
152.11481	0.8
153.05463	14.6
157.10126	2.4
159.08081	4.4
159.11708	3.6
161.09604	2.3
161.13292	1.3
162.06770	4.0
163.07538	6.4
163.11180	1.3
165.05511	2.0
165.09132	2.7
166.04259	0.8
167.07117	2.1
169.05002	1.7
169.12248	2.8
171.11673	1.0
173.13297	1.6
175.07541	1.9
175.11214	1.6
175.14804	1.6
177.05431	4.3
177.09111	10.3
178.06230	0.8
178.09512	1.0
179.06982	2.1
179.08421	1.0
181.85020	0.8
183.11726	0.9
185.09596	1.0
185.13316	1.0
187.07523	5.0
187.11186	1.0
187.14880	1.7
189.09138	2.7
191.07050	11.8
191.10666	1.2
192.07794	7.4
193.08607	5.2
197.13136	1.0
199.14861	0.8
201.09097	1.9
201.16389	1.6
203.10727	1.3
203.14404	0.9
205.08598	49.2
206.08936	3.5
211.09637	6.6
211.14842	1.0
216.07787	0.8
217.08592	4.2
218.09218	1.1
219.10135	3.2
221.08073	8.3
223.09634	40.7
223.16936	1.4
224.09947	1.9
227.10654	1.1
229.08644	6.0
231.10219	3.1
233.11740	2.8
235.09720	2.7
237.11026	1.1
239.09128	8.8
243.10143	6.6
245.11835	2.1
247.09578	5.3
249.11186	1.2
255.10234	1.1
255.13797	1.7
257.11722	1.2
257.15396	1.1
261.11221	10.5
269.11655	2.1
270.12485	1.2
273.14847	35.0
274.15216	4.4
283.13422	2.1
285.14853	5.2
287.12808	2.2
289.14124	1.1
291.15915	6.6
297.18494	0.8
303.12653	0.8
303.15918	4.6
305.13678	1.8
325.18073	5.5
325.25009	1.0
326.18317	1.0
333.25800	1.8
343.19043	50.7
343.26212	2.6
344.19321	4.7
361.15619	1.9
361.20087	32.3
361.27432	2.4
362.20468	4.2
379.21204	1.5
379.26233	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2112
Annotation	11alpha-Hydroxypoststerone
Peak:m/z	Relative Intensity
55.05509	5.7
60.72130	1.5
63.71314	1.4
67.05518	8.3
69.03432	8.1
69.07056	18.9
69.55492	7.3
69.55894	3.2
71.04988	7.3
72.08160	1.8
79.05486	7.2
81.07065	17.7
83.04993	3.8
83.08605	1.7
88.07638	1.8
91.05486	5.6
93.07043	14.6
94.61771	1.5
95.04952	3.5
95.08604	10.3
97.06525	4.8
98.23370	1.6
105.07018	18.6
107.08592	10.2
109.06489	1.9
109.10182	9.5
116.24417	1.6
117.06980	3.6
119.08580	9.8
121.06507	2.4
121.10098	8.0
123.08022	1.7
123.11721	5.0
123.75106	1.5
129.07060	1.8
129.63821	1.5
131.08568	11.3
132.10237	2.4
133.10104	8.7
135.08083	3.0
135.11702	14.2
137.05971	4.2
143.08563	3.4
145.10130	18.1
146.97684	1.7
147.08003	2.3
147.11693	8.3
149.05988	3.8
151.07538	3.6
155.08583	1.8
157.04918	2.7
157.10107	3.8
159.08102	2.3
159.11713	7.1
161.09669	3.6
161.13266	1.9
163.07561	3.7
167.06987	3.9
171.11673	2.8
173.05992	1.7
173.09627	1.7
173.13297	5.8
174.06731	1.8
175.07561	4.8
175.11223	6.6
175.14783	2.4
177.09077	2.0
179.07043	2.4
185.09689	2.1
185.13231	4.9
187.11127	2.4
187.14822	9.4
188.11967	2.1
189.09105	17.1
189.12712	3.0
191.07048	5.4
195.06667	1.9
199.14853	3.0
202.09766	1.9
203.14270	11.7
205.08595	4.9
209.08093	7.1
213.09093	1.7
213.12715	5.3
215.10683	2.4
217.08592	2.6
221.08102	4.4
223.09628	3.1
230.57980	1.8
231.10234	2.5
231.13802	57.4
232.14209	3.8
235.09569	2.1
249.11148	3.3
255.13838	5.1
257.11710	3.7
263.12784	5.3
265.12250	2.1
267.12228	3.6
273.11987	1.7
273.14789	8.0
275.12894	2.0
282.12573	3.2
283.13235	5.2
283.16647	2.1
297.18582	2.1
298.32324	1.9
300.13589	1.9
301.18066	2.7
307.16962	4.8
325.17905	18.3
333.26031	2.1
343.19028	100.0
344.19305	11.5
361.15619	3.4
361.20099	68.6
362.20358	6.2
379.20905	7.5
379.25638	3.8
379.33130	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	379.2115
Annotation	11alpha-Hydroxypoststerone
Peak:m/z	Relative Intensity
52.28765	3.1
53.03945	5.6
55.05509	4.1
61.11059	3.2
67.05487	16.1
69.03431	3.6
69.07082	8.9
71.04988	11.0
79.05487	8.1
81.07060	23.9
83.01363	8.4
83.08627	3.9
91.05486	24.3
93.07047	66.4
94.73492	3.8
95.04972	4.9
95.08584	20.0
98.22540	6.9
105.07039	24.8
107.04943	4.7
107.08594	75.1
109.06487	3.7
109.10159	25.8
113.06044	4.4
117.06995	6.1
119.08591	10.0
121.06532	7.2
121.10148	12.7
121.31886	3.1
123.11688	23.0
130.22141	3.6
131.08595	7.1
133.10129	42.0
135.08061	12.8
137.06033	6.8
145.10172	5.2
147.11696	4.6
149.05975	4.8
149.09645	6.4
151.11201	30.2
153.05450	29.8
158.33046	3.7
159.08060	5.4
159.11771	4.1
162.06766	7.9
163.07570	11.4
165.05585	3.7
171.11734	5.1
175.01959	3.9
175.07681	3.6
177.05525	5.8
177.09103	20.9
187.07538	7.3
187.14825	5.4
189.09149	4.1
191.07063	24.7
192.07841	14.7
193.08575	16.9
205.08594	100.0
206.08986	6.3
211.09669	11.7
217.08630	9.3
219.10097	5.3
223.09628	71.1
224.09892	4.1
229.08659	17.8
230.09261	4.0
231.10226	6.3
235.09694	7.4
237.11270	4.0
243.10127	11.5
247.09738	9.9
261.11255	20.9
273.14844	60.1
281.11703	3.6
285.14850	8.6
287.12930	3.6
291.15891	11.4
303.15936	5.3
325.17999	15.6
343.19043	81.0
344.19348	4.5
361.20068	27.5
371.43051	3.9
379.33627	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	379.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.2
55.01880	2.8
55.05510	23.7
57.07078	22.1
58.99311	1.6
59.05004	3.8
59.92309	1.9
67.05508	9.4
68.23972	1.7
69.03431	8.3
69.07066	100.0
70.07408	3.1
71.01331	1.6
71.05005	9.6
71.08620	13.9
71.31688	2.4
71.32079	1.8
71.62118	2.0
73.06559	16.8
79.05490	8.7
81.03424	7.3
81.07048	17.6
81.13770	1.8
83.05002	4.6
83.08633	4.6
85.02912	7.7
85.06583	2.5
85.10181	4.3
89.06029	47.7
89.06544	3.4
91.05482	11.4
93.07053	16.3
95.04986	4.1
95.08604	11.2
97.02871	3.3
97.06536	4.6
97.10182	4.2
99.04484	3.4
103.00908	2.0
105.07043	12.8
107.08608	12.4
109.02885	7.7
109.06516	5.4
109.10160	5.9
111.04407	2.2
111.08121	3.8
111.11718	99.7
112.12048	3.6
113.05986	1.8
117.07014	4.6
119.08588	17.4
121.06508	4.4
121.10138	8.2
123.08086	2.5
123.11703	3.3
125.09604	2.8
127.03928	3.6
129.12755	91.8
131.08569	5.6
133.10146	10.2
135.08098	2.7
135.11720	8.5
137.05995	4.6
137.09613	2.5
137.13336	2.2
139.11238	1.9
143.08583	4.9
145.10147	7.5
147.07957	2.3
147.11650	9.3
149.09607	3.7
151.03929	3.4
155.08565	3.2
157.10146	3.8
159.08035	2.2
159.11745	6.7
161.09703	1.9
161.13274	5.6
163.07530	2.7
163.11174	3.6
169.10117	3.5
171.11702	5.3
173.09637	2.6
173.13271	2.2
175.07513	3.8
175.11131	4.1
175.14761	3.3
177.05428	1.8
177.09079	2.3
185.13289	3.1
187.11288	1.8
187.14810	3.0
189.16388	5.2
195.10126	2.5
197.13153	2.2
199.11194	2.7
199.15100	2.1
199.16911	9.4
201.64713	2.0
203.14424	2.0
211.14806	2.1
217.12344	2.1
217.15939	5.3
217.17966	3.3
234.08618	7.5
235.16859	2.4
275.96884	2.2
343.18994	2.9
361.24036	2.6
379.17239	39.2
379.21231	5.4
379.25085	7.6
379.29892	3.0
380.17346	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	379.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.2
55.01882	3.4
55.05507	23.6
57.03448	2.6
57.07070	19.1
59.04992	5.9
67.05503	11.8
69.03426	10.1
69.07071	92.9
70.37902	6.8
71.04990	9.4
71.08636	18.2
73.06550	20.7
79.05483	12.1
81.03426	13.5
81.07050	22.8
83.04990	5.1
83.08639	5.5
85.02893	8.7
85.10177	5.8
89.06036	44.6
91.05479	10.1
93.07050	20.1
94.07417	2.2
95.04961	5.9
95.08611	18.6
97.02909	5.2
97.06528	4.4
97.10163	3.2
99.04434	2.8
105.07025	22.2
106.07316	3.0
107.04957	4.6
107.08578	17.5
109.02891	11.3
109.06506	5.8
109.10170	8.2
111.04452	3.4
111.08101	3.4
111.11717	100.0
117.07005	5.6
119.08604	16.4
121.06525	4.9
121.10144	13.9
123.04419	5.0
123.08071	3.3
123.11685	4.9
125.09642	2.8
127.03915	4.3
128.06221	2.3
129.06981	3.3
129.12758	89.9
131.08577	8.2
133.06436	2.5
133.10124	11.7
135.07991	3.0
135.11682	8.6
137.05956	4.0
137.09641	2.0
139.11253	2.9
143.08527	3.6
144.81197	2.0
145.10115	10.1
147.08105	3.1
147.11679	9.8
149.09610	3.9
149.99341	2.4
151.03903	5.9
151.07503	2.4
153.07047	2.4
155.08524	2.3
157.10100	6.5
158.10742	2.2
159.08138	2.6
159.11705	6.3
161.13235	5.6
165.05502	2.5
167.07205	2.3
169.10205	2.7
171.11742	6.8
173.13274	5.6
175.07541	3.7
175.11130	4.3
175.14906	4.3
185.13287	4.8
187.14928	3.6
187.85233	2.3
189.16406	7.0
193.12224	2.0
199.14961	4.6
199.16971	6.8
217.12216	3.9
217.15855	6.4
234.08661	8.2
235.09386	2.3
361.20123	3.6
361.24530	2.9
379.17215	44.2
379.21051	4.2
379.25058	9.5
379.29871	4.2
380.17371	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.3
55.01870	1.2
55.05504	11.5
57.03432	1.5
57.07075	5.1
60.48370	0.8
63.73325	0.8
64.23322	0.7
65.03951	1.0
65.71442	1.0
66.39055	0.7
67.05504	29.6
69.03418	1.0
69.07064	11.2
71.04999	1.7
71.08630	34.0
71.57949	0.9
75.14256	0.8
79.05489	32.4
79.05962	1.7
81.03410	3.4
81.07056	37.3
82.07379	1.1
82.46382	0.9
83.04993	4.8
83.08624	8.1
85.06544	2.2
85.10212	1.1
91.05477	22.9
93.07043	47.4
95.04963	6.0
95.08603	25.4
97.06541	6.6
97.10170	3.1
99.04409	1.1
99.08090	32.0
100.08425	1.0
105.07022	13.5
107.04954	7.0
107.08593	25.3
108.08882	1.2
109.06544	2.1
109.10139	7.9
111.08054	1.7
113.09650	2.2
117.07032	4.9
117.07741	1.0
119.08582	13.6
121.06458	1.7
121.10140	23.7
122.10570	0.9
123.08043	1.2
123.11662	1.4
129.07002	1.9
131.08554	4.1
132.74184	0.9
133.10118	9.2
135.08115	1.0
135.11688	32.5
136.12053	1.3
137.09641	2.0
139.07553	1.2
141.09119	3.2
143.08630	1.3
145.10127	3.2
147.11705	4.3
149.09630	1.5
149.13246	10.5
151.11169	13.1
153.12759	1.5
157.10144	1.7
159.11708	3.4
161.13260	11.1
163.11134	4.9
163.14816	2.3
165.12776	1.4
167.10687	1.8
171.11636	2.1
173.13217	1.9
175.14854	1.4
177.12770	3.2
179.14304	100.0
180.14616	5.7
181.12230	1.4
185.13286	1.9
189.12807	1.8
191.14468	1.0
195.13803	2.6
199.14833	1.4
221.15321	3.3
235.16899	4.9
241.19553	1.4
242.46948	1.0
259.20566	6.1
268.49664	1.0
277.21613	43.4
278.21991	2.5
295.22623	1.4
300.80688	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.3358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
55.05508	12.3
57.07077	4.6
60.53118	0.7
65.03935	1.2
67.05156	1.4
67.05503	21.3
69.06714	1.1
69.07067	13.6
69.24948	6.1
71.08627	1.4
78.79696	0.6
79.05490	11.2
79.91183	0.7
80.06773	0.7
81.07053	51.6
82.07392	1.2
83.04999	0.8
83.08273	0.7
83.08629	7.5
85.06503	0.9
89.06074	0.7
91.05476	9.0
93.06445	1.1
93.07039	21.0
93.07606	1.5
95.04960	1.4
95.08602	55.2
96.08951	1.8
97.10176	5.3
102.22642	0.8
105.07021	19.4
106.44599	0.7
107.08595	24.8
109.10148	25.7
111.11701	2.4
117.07024	5.0
119.08572	22.8
120.08961	1.3
121.10140	18.2
123.11696	12.1
125.09590	0.7
128.06204	1.2
129.07018	4.8
131.08574	11.5
133.10124	17.1
135.11685	17.2
137.13243	11.8
138.13541	0.7
142.07802	1.0
143.08553	10.3
144.09308	0.9
145.10126	16.7
146.10567	0.7
147.11665	10.7
149.13252	14.0
151.11182	0.9
151.14760	1.7
155.08504	1.5
156.09349	1.5
157.10115	11.8
158.10910	2.3
159.11696	22.7
160.12204	0.8
161.13254	17.9
162.13629	1.1
163.14824	9.2
169.10126	2.0
171.11693	7.4
172.12401	1.7
173.13246	17.5
175.14828	14.2
176.15080	1.0
177.16386	5.4
183.11745	2.5
185.13243	8.7
186.13847	1.1
187.14807	18.7
189.16359	10.9
190.16693	0.9
191.17944	5.1
197.13272	1.8
198.13969	1.4
199.14812	21.4
200.15372	2.3
201.16377	20.2
203.17975	7.0
205.15791	0.8
205.19478	1.3
211.14793	1.3
213.16388	10.2
214.17078	1.2
215.17958	10.7
216.18024	0.8
217.19547	5.2
225.16382	1.9
226.17094	0.8
227.17908	11.4
228.18317	1.6
229.19496	9.8
231.21135	2.5
239.18010	1.4
241.19469	11.2
243.21066	6.5
253.19560	1.1
255.21048	8.2
256.21674	1.9
257.22614	9.4
258.22964	1.3
267.21078	1.2
269.22647	9.5
270.23068	1.4
279.23215	1.4
281.22733	2.1
283.20801	1.3
283.24130	2.4
295.24301	1.0
309.25735	2.9
323.27332	2.0
325.08527	0.8
337.28824	4.9
343.19012	2.1
379.25409	3.5
379.33582	100.0
380.33917	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	380.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78343	2.2
57.03431	3.5
59.52224	2.0
60.04530	4.2
61.48634	1.7
62.76488	1.9
70.79831	4.4
75.04469	3.9
80.33347	1.8
81.99632	2.6
85.02909	4.3
86.92412	1.9
95.01333	70.2
95.04961	2.1
99.11402	2.2
113.02376	100.0
131.03432	2.0
137.28094	1.7
141.01825	8.4
144.68596	1.8
154.26831	1.7
169.04965	45.5
187.06033	50.7
280.77136	2.6
302.61496	2.6
362.25317	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	380.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	3.8
56.89344	2.6
59.28425	2.5
60.40242	2.8
63.22963	2.6
67.05505	16.4
69.03419	6.6
69.29314	8.4
69.29741	11.4
79.05460	2.7
80.17025	2.4
81.03429	17.6
81.07069	11.1
85.02912	5.0
91.05505	6.8
95.04989	2.8
95.08617	8.3
99.04488	2.9
104.46857	2.5
107.04953	3.6
107.31606	2.7
108.14205	2.5
109.02878	18.1
109.09427	3.7
109.10155	49.4
113.52390	2.5
119.08620	3.8
127.03951	9.5
131.91100	2.4
137.06020	5.1
137.09622	100.0
139.03931	3.0
155.10684	9.1
161.05962	4.6
164.07042	4.1
165.09108	91.4
166.09517	4.4
173.05981	2.7
183.10181	5.9
189.09137	2.8
201.05386	2.7
201.11185	17.9
255.06544	3.8
258.08081	2.4
271.06006	6.8
289.08554	2.9
291.12173	5.9
309.13342	39.7
310.13846	3.5
317.08170	3.9
322.09241	2.7
327.14301	14.5
328.35544	2.7
363.08481	8.6
364.23877	2.9
381.10049	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	380.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01620	0.3
66.04743	0.2
70.49174	0.6
70.58649	0.3
71.54845	0.2
79.05470	0.3
80.12262	0.2
91.05478	0.9
94.04188	1.0
102.94468	0.2
103.05498	0.3
105.07077	0.3
119.04942	0.5
122.03659	3.7
126.12801	0.3
131.04939	0.7
137.05969	100.0
138.06299	4.7
151.07629	0.3
154.90897	0.3
163.07576	1.2
181.08586	4.0
212.73082	0.3
215.27835	0.2
257.40469	0.3
317.46640	0.2
341.65521	0.3
381.18976	0.3
393.79523	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.6
53.03941	0.7
65.03934	0.7
67.05494	1.1
68.99789	1.1
69.58772	2.2
69.59164	1.6
71.05006	1.6
79.05495	0.9
81.03391	0.9
81.07056	1.0
91.05486	1.6
95.04961	2.4
105.07021	1.2
107.04945	2.0
123.04423	100.0
123.36552	0.6
127.03942	1.3
135.04404	1.5
136.01523	0.8
137.09631	0.8
149.02367	1.0
151.03902	1.9
155.04919	1.1
157.06514	0.9
159.23842	0.6
161.05928	1.3
163.03871	1.0
164.04651	1.5
165.12747	3.2
167.06827	0.8
168.05620	0.6
173.06000	0.9
175.07520	1.0
175.86693	0.6
177.05374	0.7
179.03381	12.6
181.06612	0.6
183.04388	0.7
183.13699	0.6
184.05133	0.8
185.05959	1.0
189.09198	0.7
198.06659	1.1
199.07576	1.0
201.05478	1.2
212.04677	0.6
213.05432	1.7
215.07031	1.0
216.07855	0.9
217.08563	0.9
227.07002	3.0
229.04967	2.5
230.83464	0.6
240.04016	0.8
241.04843	1.3
242.05623	1.4
243.06453	0.8
244.07430	0.8
245.00806	0.7
245.08083	30.1
255.06483	4.8
257.04382	2.9
257.08127	0.7
258.05289	2.5
271.06183	1.1
271.09665	1.8
272.06766	4.2
273.07559	30.2
301.07040	6.6
325.03738	3.2
352.12256	0.6
353.03192	9.0
363.08350	0.9
381.02649	2.0
381.10287	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82732	5.2
65.96465	6.0
67.05532	7.6
69.03468	67.9
71.04988	70.8
79.05501	22.7
81.07073	15.9
83.04987	7.5
91.05489	12.2
93.07037	16.6
95.08620	11.0
96.17483	6.4
97.06509	8.9
98.23321	12.9
105.07026	9.9
107.08610	10.4
119.08556	7.9
121.10171	8.1
138.38177	7.3
139.95447	5.9
147.11703	15.0
150.16843	6.6
164.07042	15.1
165.12764	100.0
175.07504	7.2
183.13802	24.6
208.06064	8.9
218.42191	5.7
221.63077	6.2
328.47235	6.2
380.25766	7.0
381.15213	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	381.0789
Annotation	Unknow
Peak:m/z	Relative Intensity
58.13171	3.0
70.14594	11.0
71.74525	2.9
81.70104	2.7
93.96270	3.2
102.71356	3.2
108.50401	2.8
147.11568	3.0
184.22733	3.5
216.85379	2.8
219.02708	4.1
238.36711	3.1
266.98068	2.9
381.07925	100.0
382.08267	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	381.0789
Annotation	Unknow
Peak:m/z	Relative Intensity
69.76320	15.0
98.22614	6.5
172.68416	3.7
219.02696	5.0
227.28676	4.0
329.98126	4.0
357.42044	4.2
381.07925	100.0
381.12509	7.9
382.08377	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	381.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.8
53.03941	0.9
57.78531	0.6
65.03942	1.4
67.05493	0.9
67.26815	0.6
68.17647	0.5
68.73129	0.6
79.05495	2.4
80.01524	0.6
81.03411	1.2
81.07050	1.5
91.05476	7.4
93.07034	1.0
94.04198	3.9
95.04971	2.8
95.08608	1.0
101.18700	0.6
103.05461	2.7
104.06260	1.5
105.03400	0.8
105.07044	1.8
107.04959	1.6
109.06461	0.7
115.05441	5.5
117.07034	3.3
119.04940	1.8
119.08524	0.7
120.50684	0.6
121.06504	1.4
122.03649	9.2
123.04435	5.8
128.06236	1.4
129.06993	2.3
130.07855	0.6
131.04930	4.3
131.08582	0.8
132.05721	5.3
133.06485	1.5
135.04407	18.2
135.08058	1.4
137.05975	100.0
138.06264	3.2
141.07007	2.4
143.04884	1.0
143.08578	0.8
144.05693	2.2
145.06509	3.0
145.10135	0.8
147.08043	1.2
148.96814	0.7
149.05986	1.8
151.07553	6.4
153.05486	1.1
153.07028	1.2
154.07724	0.9
155.08525	1.9
157.06474	1.0
158.07304	1.6
159.08063	1.1
160.05241	4.3
161.06027	3.7
161.07152	0.6
162.06718	0.9
163.07526	2.5
165.09158	0.8
167.08607	1.0
169.06488	3.1
169.10120	0.9
170.07236	1.8
171.08020	1.8
173.05978	0.7
173.09613	2.2
174.06773	1.6
175.07541	67.4
176.07875	3.3
177.09135	1.0
181.06491	2.0
182.07281	2.0
183.08116	2.9
184.08856	2.5
185.05910	1.1
185.09630	1.3
186.06825	0.7
187.07491	4.5
187.11162	0.7
188.08052	0.9
189.09097	15.8
190.09424	0.8
191.06956	0.9
195.08116	3.8
195.09654	0.7
196.08916	4.1
196.10445	1.0
197.05925	1.8
197.09546	1.0
198.06679	2.8
199.07521	4.8
199.11208	2.5
200.08295	1.8
201.09125	9.1
201.12482	0.6
205.08673	0.9
207.08035	0.7
208.08849	1.0
209.09418	1.0
210.06676	0.6
211.07515	2.7
211.11127	0.9
212.08289	6.5
213.09100	9.0
214.09843	3.7
215.10603	2.9
224.08318	1.8
225.09128	5.7
226.09845	2.0
227.09036	0.6
227.10667	14.1
228.11269	0.8
229.12329	1.7
231.10190	1.1
237.09157	0.8
239.10683	10.0
240.11293	3.2
241.12323	0.8
243.10213	1.2
245.09578	1.1
245.11798	1.1
249.09174	0.9
257.11725	20.0
258.12296	1.7
259.07635	1.0
261.09003	1.1
263.10864	0.9
271.10999	0.8
273.09189	1.3
275.10690	1.1
287.10568	0.8
289.12402	1.0
297.11099	0.9
303.10468	0.9
303.13684	3.1
309.11136	1.5
316.11081	0.7
319.13382	1.3
321.14874	2.5
331.13263	3.8
332.13748	1.0
349.14285	5.3
351.15851	0.8
363.15848	6.6
364.16354	0.7
381.16931	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	381.1886
Annotation	Pro Gln His
Peak:m/z	Relative Intensity
52.82887	0.3
55.05507	1.1
55.09740	0.3
57.07051	0.3
67.05499	1.1
68.88013	0.3
69.03434	0.6
69.07066	1.3
70.50859	0.6
70.51188	0.4
71.04983	0.4
77.74628	0.4
79.05495	1.2
79.93654	0.4
81.03426	0.4
81.07050	2.0
83.04964	0.5
85.02902	0.4
91.05475	1.8
93.07036	2.1
95.04996	0.7
95.08610	1.8
97.02876	0.3
97.06522	0.5
97.10171	0.4
105.07040	1.3
107.04945	0.5
107.08592	1.6
109.06508	0.4
109.10123	0.6
111.04504	0.3
117.07082	0.7
119.08611	1.7
121.10155	1.3
123.11729	0.5
125.09586	0.4
131.08571	1.1
133.10126	1.0
135.08034	0.3
135.11687	0.8
137.05957	0.5
137.09666	0.5
143.08557	0.4
144.09360	0.4
145.10107	1.5
147.11658	0.5
149.05994	0.3
155.08626	0.4
159.11673	0.9
160.09065	0.4
161.13255	0.5
163.11148	0.4
170.84282	0.3
171.11720	0.5
173.26527	0.3
176.09572	0.3
177.61647	0.4
189.16409	0.5
197.13161	0.4
267.45001	0.3
381.18820	100.0
382.19131	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	381.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73063	0.4
55.05492	0.4
67.05495	0.8
69.07056	0.7
79.05507	1.0
81.07048	1.4
91.05476	0.4
93.07037	1.3
95.04966	0.8
95.08601	1.3
98.22522	0.8
99.04456	0.5
105.07040	1.3
107.08569	0.8
109.10117	0.6
111.08075	0.4
114.65514	0.4
119.08586	0.7
121.10125	0.8
133.10110	0.5
143.08565	0.7
145.10129	1.1
159.11661	0.6
161.13203	0.7
169.79086	0.4
171.11626	0.6
189.16397	0.6
211.09402	0.4
321.11194	0.5
349.10785	0.4
363.17740	0.6
381.18777	100.0
382.19113	9.5
382.23477	0.8
382.30966	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	381.1884
Annotation	Pro Gln His
Peak:m/z	Relative Intensity
52.76222	0.4
53.03927	0.5
53.98554	0.3
55.05493	1.6
55.34856	0.4
57.03431	0.6
57.07063	0.5
67.05499	2.7
69.03409	0.8
69.07064	1.4
69.45405	2.2
69.45821	0.8
71.04977	0.7
79.05502	2.4
81.03399	1.0
81.07057	4.0
83.04955	1.0
83.05866	0.4
83.08590	1.1
85.06524	0.5
91.05469	1.9
93.07032	3.2
95.04955	1.1
95.08612	3.8
97.02891	0.6
97.06506	0.8
97.10152	0.8
105.07017	3.1
107.04929	0.6
107.08589	2.8
109.06503	1.0
109.10177	2.2
111.08047	0.5
115.05434	0.4
117.07017	1.3
119.08569	3.2
121.06506	0.6
121.10145	2.3
123.08065	1.3
123.11694	0.5
125.09636	0.8
129.07030	1.0
131.08542	2.0
133.06499	0.5
133.10126	1.8
135.08061	0.8
135.11687	1.2
136.18283	0.4
137.05956	1.4
137.09587	0.8
143.08569	1.0
145.06490	0.5
145.10115	1.8
147.11693	1.2
149.09572	0.7
149.13264	0.6
151.07523	0.7
155.08521	0.5
157.10089	1.1
157.31963	0.4
159.08142	0.6
159.11688	1.3
161.09514	0.6
161.13298	0.7
163.11150	0.6
165.09138	0.7
166.63733	0.5
169.10138	0.8
171.08075	0.5
171.11703	0.7
173.09613	0.8
173.13243	1.2
175.07513	0.7
175.11261	0.6
175.14728	0.7
181.10074	0.6
181.12213	0.5
183.06549	0.5
183.10178	0.7
183.11667	0.7
185.13351	0.5
191.06921	0.6
191.10725	0.5
195.11630	0.7
203.10631	0.5
207.06216	0.6
209.13341	0.5
229.12180	0.5
257.11581	0.9
337.19583	0.8
363.17169	0.6
365.93356	0.4
381.18777	100.0
382.19138	9.9
382.22845	0.5
382.31018	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	381.1906
Annotation	Maoyecrystal D
Peak:m/z	Relative Intensity
55.05499	3.0
57.03449	1.5
61.47983	1.2
67.05499	16.6
68.99796	1.3
69.03410	2.1
69.07058	1.8
71.04993	2.8
71.31918	2.2
79.05490	15.4
81.03410	2.1
81.07054	31.6
83.04968	2.6
85.02928	1.6
91.05476	21.4
93.07048	29.6
95.04971	5.3
95.08603	34.1
96.08934	1.5
97.06522	1.9
105.07029	28.4
107.04932	2.3
107.08599	23.9
108.08964	1.3
109.06550	3.3
109.10152	42.9
109.10886	2.6
111.08089	2.4
117.07005	8.8
119.08577	46.4
121.06519	5.2
121.10165	6.8
123.04447	3.0
123.08079	4.8
123.11712	2.6
125.09639	4.9
128.76529	1.4
129.07011	5.9
131.08574	16.8
133.06404	2.2
133.10124	13.7
135.08069	3.7
135.11713	5.0
137.06018	1.9
137.09641	14.1
139.07538	2.0
141.06982	3.7
142.07686	1.7
143.08594	15.6
145.06483	2.3
145.10115	12.4
147.08020	3.2
147.11673	6.8
149.09631	2.9
151.11212	4.4
153.09142	3.6
155.08514	7.5
155.10692	2.2
157.10129	10.8
159.08054	3.2
159.11728	8.1
161.09654	5.8
161.13225	3.9
163.07516	2.6
167.08640	1.9
169.10085	10.4
171.08081	1.6
171.11662	7.1
173.09636	2.7
173.13226	2.5
174.06718	1.4
175.07599	1.5
175.11180	2.5
175.69327	1.3
176.15089	1.3
181.10175	3.0
183.11688	10.4
185.13229	5.2
187.14813	2.6
189.09116	3.3
191.10687	1.3
193.08502	1.9
193.10178	2.1
195.11713	1.6
197.13239	8.5
199.14801	4.8
201.16357	2.9
207.11717	1.8
209.13205	1.7
211.11250	1.7
211.14833	3.5
213.12819	1.5
213.16348	1.6
215.10674	2.1
215.14354	5.1
215.17929	3.6
219.10181	5.4
220.05898	1.6
225.12889	2.0
225.16338	20.5
227.14482	2.0
227.17950	14.8
229.15791	3.1
235.14911	3.6
243.13840	4.5
243.17450	25.1
245.19019	16.4
253.15892	14.6
255.17378	2.2
257.04434	2.4
259.16983	3.2
261.18497	10.4
262.19141	1.5
269.08456	2.0
271.13773	2.8
271.16904	55.9
272.17316	6.6
275.16504	2.6
281.15353	2.8
287.16501	1.3
289.17953	54.7
290.18365	4.2
299.16428	24.8
305.17502	5.3
317.17465	100.0
318.17709	12.6
327.15854	3.6
335.18414	10.5
345.16968	30.5
346.17325	3.4
363.18015	15.9
381.06036	12.2
381.10477	3.0
381.15216	2.1
381.19424	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	12.6
55.01863	13.4
55.05505	18.5
57.03433	18.4
57.07078	4.3
59.05000	7.5
61.02930	10.2
62.52730	3.2
65.03951	4.7
67.05504	34.3
69.03430	43.2
69.07068	26.5
71.01354	10.0
71.04992	49.7
71.32747	4.6
71.49224	2.9
72.45347	2.9
73.02928	10.9
79.05486	50.0
81.03410	22.6
81.07053	85.6
83.04980	14.0
83.08620	8.7
85.02906	54.8
85.06540	4.1
87.04477	6.5
91.05483	47.7
93.07043	86.1
93.07607	6.6
95.04968	23.1
95.08598	53.8
97.02360	4.2
97.02880	17.8
97.06541	9.6
99.04474	4.9
99.08105	8.3
101.02309	3.9
103.03957	12.6
103.05473	5.8
105.07025	100.0
107.04983	9.1
107.08596	59.8
109.02869	8.9
109.06496	20.4
109.10148	71.8
111.04434	9.0
111.08100	8.6
115.03935	9.1
117.07000	21.3
119.08575	60.3
121.06515	16.6
121.10145	46.7
123.04382	3.7
123.08065	18.0
123.11716	13.2
125.06010	3.9
125.09627	20.0
127.03920	12.2
127.07561	7.8
127.11181	35.9
128.06259	7.9
129.05469	3.8
129.06999	19.0
130.07794	5.0
131.08563	43.9
133.05005	7.5
133.06479	7.8
133.10126	68.8
134.10458	4.0
135.08022	19.0
135.11665	18.4
137.05989	7.9
137.09612	27.5
141.07039	4.9
142.07771	14.9
143.08572	26.9
143.10716	4.9
144.09303	5.8
145.05019	5.8
145.06520	10.6
145.10123	76.4
146.10449	4.4
147.08072	13.2
147.11690	44.4
149.09644	12.5
149.13254	8.0
151.07579	3.4
151.11205	13.1
153.05469	6.5
153.06940	3.5
153.12827	3.6
155.08565	13.4
156.09363	8.0
157.10110	45.8
158.07248	3.9
159.08076	18.0
159.11688	57.4
160.12013	4.0
161.09659	14.7
161.13248	16.4
163.11197	13.2
165.07063	3.3
165.12762	4.9
167.08519	4.0
169.10127	20.3
171.08046	4.5
171.11711	26.0
173.09621	10.6
173.13173	16.1
175.11171	26.1
175.14870	11.6
177.09251	3.9
177.12764	7.2
177.18927	3.8
179.10706	4.6
181.10155	7.7
183.11726	12.4
185.09663	6.8
185.13326	11.7
187.07539	4.4
187.11212	12.9
187.14815	8.4
189.09067	4.7
189.12761	7.1
189.16441	4.4
191.14320	9.2
193.15918	5.9
195.11711	11.6
197.13220	4.1
199.11185	11.7
199.14839	13.5
201.09099	4.9
201.12804	6.3
201.16377	25.6
203.14371	6.4
203.18169	3.6
205.15849	6.0
211.11195	5.7
211.14723	4.1
213.12856	7.1
213.16377	10.8
215.14319	5.4
217.12329	3.4
217.15913	14.4
219.06448	6.8
219.13857	4.0
219.17387	24.7
223.11281	5.1
223.15034	3.7
225.16399	7.4
229.15889	7.8
231.17487	24.2
239.14377	4.6
241.12308	4.9
243.17474	14.1
248.10136	4.3
249.10175	4.3
257.15347	4.6
259.13153	6.0
261.18451	12.8
277.14429	4.5
285.18518	8.3
289.73380	3.2
295.15424	5.0
297.18469	6.5
303.11325	6.4
303.19519	7.1
309.18552	3.4
315.19470	7.4
327.19583	11.5
345.20694	20.4
363.21414	19.7
381.13718	4.3
381.22757	53.0
381.31540	10.0
382.23193	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	381.227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.8
53.76209	5.7
55.01868	13.1
55.05506	26.4
57.03434	15.6
59.74883	5.6
61.02922	17.9
65.03945	5.9
67.05505	36.1
69.03432	52.5
69.07065	39.2
69.13673	16.9
69.14075	33.1
71.01318	6.2
71.04986	53.0
73.02912	18.2
75.14623	5.5
79.05505	60.2
81.03421	34.2
81.07056	89.8
83.01272	5.9
83.04990	8.5
85.02898	66.5
91.05473	62.8
93.07043	84.7
95.04933	33.7
95.08601	43.4
97.02889	22.0
97.06537	11.9
97.10135	9.4
97.99554	5.6
99.04448	8.0
99.08076	14.6
103.03928	15.9
103.05493	8.1
105.07024	100.0
107.04951	8.7
107.08593	69.3
109.02896	11.5
109.06495	20.6
109.10159	82.2
109.11885	4.9
111.04453	10.6
111.08081	6.0
115.03931	7.9
117.07008	18.5
119.08564	69.6
121.06467	17.8
121.10135	55.6
123.04440	7.8
123.08056	22.7
123.11716	16.8
125.05946	7.8
125.09644	26.6
127.03931	15.5
127.07526	9.1
127.11185	32.5
128.06236	12.3
129.06981	23.3
130.07770	8.2
131.08522	45.0
133.05022	6.7
133.06491	15.0
133.10109	64.8
133.90654	6.4
135.08070	20.8
135.11687	22.0
137.06017	12.1
137.09619	25.0
139.11136	10.1
141.07039	7.4
142.07755	17.9
143.08559	17.7
144.09354	10.7
145.06476	10.4
145.10101	75.9
147.08044	16.8
147.11679	40.4
149.13287	11.3
151.11191	11.5
155.08603	15.5
157.10133	41.5
159.08046	25.3
159.11659	57.0
161.09689	11.0
161.13251	16.5
163.07541	9.5
163.11214	16.2
165.06929	8.8
165.12790	8.3
169.10164	12.3
171.11641	20.5
173.09596	13.1
173.13271	21.8
175.11212	21.0
175.14815	15.5
183.11703	18.1
185.13213	12.6
187.11166	17.0
189.09076	7.4
189.16541	12.0
191.14368	13.9
195.11757	10.3
199.11232	12.0
199.14793	12.1
201.12790	8.6
201.16325	28.2
213.16402	17.7
215.17885	8.1
217.15851	16.4
219.17368	31.3
229.12314	7.3
231.17439	21.7
255.17470	10.4
259.13232	8.5
261.18451	18.7
263.55606	6.7
265.59262	6.3
285.18542	7.4
327.19543	17.2
345.20651	15.8
363.21597	21.6
381.22824	45.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.3727
Annotation	13,17,21-trimethyl-5Z-docosenoic acid
Peak:m/z	Relative Intensity
53.03948	2.3
53.25105	1.4
55.01876	2.0
55.05514	41.9
57.03429	1.7
57.07077	18.4
58.62412	1.5
67.05506	25.5
69.06716	3.0
69.07069	46.2
69.92807	5.7
71.05000	6.1
71.08640	11.2
79.05482	7.1
81.07060	29.9
83.04993	3.4
83.08624	28.1
85.06540	6.5
85.10191	5.3
86.76298	1.3
91.05483	1.8
93.07058	11.1
95.08615	23.9
97.06538	4.0
97.10162	17.7
98.22671	2.1
102.85509	1.5
105.07033	3.3
107.08595	6.3
109.10155	14.0
111.08114	3.5
111.11721	6.0
119.08610	2.5
121.10177	9.7
123.11711	4.5
133.10091	1.7
135.11710	6.8
138.78050	1.5
149.13345	3.2
155.40700	1.4
157.10184	2.1
163.14740	2.2
211.23128	1.6
254.98318	1.8
314.71960	1.5
363.32407	2.7
363.36243	12.7
364.36520	2.1
381.37274	100.0
382.37537	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	382.1705
Annotation	trans-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
57.03426	1.9
57.07077	2.9
59.05005	1.9
67.05491	2.8
69.03426	2.0
70.02960	2.7
71.31869	2.4
72.04520	6.5
72.34199	1.5
73.02914	1.8
81.03389	1.8
81.43219	1.6
83.05009	2.2
85.02906	5.4
85.06545	5.1
86.09689	2.6
87.08119	2.2
90.05552	41.9
90.06100	2.2
95.04961	2.4
97.02908	2.6
98.02421	6.6
98.97578	3.9
100.03945	2.0
110.97569	15.2
113.06019	3.3
114.14317	1.7
116.03456	4.3
116.98574	2.6
120.67641	1.6
124.07599	8.1
128.98611	20.0
142.08685	3.8
146.99655	8.0
161.47746	1.8
175.99982	1.9
184.00439	14.8
184.09656	9.6
185.04242	1.9
185.08171	2.3
189.06465	1.6
192.06520	3.4
202.01550	7.4
202.10718	15.9
203.05266	2.9
203.11052	2.0
219.81172	1.6
220.06116	3.6
220.11794	71.0
221.04358	1.8
221.12183	2.7
233.86142	2.0
236.53081	1.8
297.14471	4.3
323.09747	3.8
383.13232	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06979	5.2
55.05509	7.4
57.03431	12.5
59.15754	5.1
67.05495	15.4
67.73292	6.4
69.03416	14.4
70.51931	11.4
70.52258	6.7
71.04991	38.4
73.02903	10.0
79.05478	23.6
81.03413	10.0
81.07061	11.3
83.04980	20.5
83.64830	5.8
85.02415	6.7
85.02911	100.0
91.05480	8.4
93.07009	11.9
97.02897	11.6
97.06524	6.0
99.04463	7.1
105.07018	11.3
106.93549	5.0
107.08601	62.6
109.02816	5.8
111.04459	11.3
121.10150	15.6
125.09583	7.4
127.03917	13.3
129.05479	22.9
139.11267	8.7
143.07086	6.3
145.04933	9.0
147.06531	18.1
149.09581	32.9
153.09129	29.2
167.10689	76.6
171.10107	33.6
185.11771	19.1
202.08888	6.3
202.19658	6.6
203.12799	36.1
275.13742	11.7
295.98462	7.0
355.04492	6.9
355.88464	6.2
383.13345	11.9
386.68185	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	382.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	7.5
55.05504	6.0
57.63931	5.3
60.04528	19.7
67.05500	13.7
69.03419	6.7
69.07074	9.6
69.26019	41.7
70.06593	9.2
71.04993	20.1
79.05500	21.3
79.21001	5.6
81.07047	12.9
83.04989	16.2
85.02912	18.5
85.06522	8.4
87.04478	7.7
89.06054	8.1
91.05486	8.6
93.07063	14.9
95.08579	10.2
97.02909	7.3
97.06523	20.3
99.04466	9.6
105.07036	10.8
107.08585	36.5
108.50011	5.4
109.02844	5.7
111.04453	9.8
113.06018	37.1
115.03944	6.5
121.10107	25.6
123.08088	7.4
125.05998	18.0
125.09629	35.0
127.03957	6.5
131.08553	8.3
136.06229	8.3
139.03944	6.0
139.07561	12.2
139.11206	18.6
149.09628	25.5
149.78061	5.5
159.76494	7.0
159.80058	5.8
167.06979	8.3
167.10663	65.9
185.11742	100.0
203.12776	82.9
206.09183	6.3
233.08057	58.1
234.08929	18.1
245.08208	10.7
247.09789	7.5
263.09094	57.4
273.11188	12.1
287.09097	15.6
317.10385	13.9
329.10245	9.4
347.11234	25.0
365.12122	27.9
382.15598	10.2
382.27985	17.0
383.09366	10.8
383.13348	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	382.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	7.2
57.03425	5.3
58.45467	2.3
60.58027	2.3
67.05508	8.6
69.03435	17.8
69.07076	12.0
71.04992	18.5
71.30810	2.8
71.31255	4.4
79.05492	18.4
81.07073	15.5
82.47633	2.5
83.04973	5.1
85.02901	17.1
87.04465	19.2
91.05479	3.1
93.07043	38.0
95.08608	40.2
97.02876	4.6
97.06544	7.2
97.30376	2.6
99.04423	3.5
100.31869	2.7
105.07040	5.8
107.08595	5.9
109.02850	2.7
109.10168	4.7
113.09664	9.5
115.03915	15.5
115.07580	8.9
121.10136	53.7
122.37608	2.7
125.06028	5.6
127.03915	3.9
139.11182	53.7
145.04948	4.6
145.07635	4.1
147.04430	4.3
149.09654	9.0
157.12248	51.4
163.03981	2.7
163.08682	4.1
167.06996	2.8
167.10623	13.5
180.37651	2.8
185.11752	20.5
193.92917	2.6
203.12776	100.0
204.13132	4.3
207.07626	34.3
231.07652	3.1
232.07088	5.6
233.08008	5.1
262.10025	3.7
291.10001	4.4
323.12469	19.4
351.12009	3.0
353.10205	3.8
366.12979	45.5
368.12274	4.1
382.15314	8.9
383.15308	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	382.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	65.3
57.07073	37.8
67.05505	15.8
69.04302	8.6
69.04700	40.7
69.07063	98.1
71.08635	25.4
79.05498	6.4
81.07060	28.0
82.06590	7.1
83.05796	4.7
83.08609	70.5
85.10204	8.7
87.36530	4.8
91.05475	7.8
93.07034	9.5
95.04971	5.3
95.08578	24.0
97.10165	47.7
105.07018	6.7
107.08639	9.8
109.10153	10.5
111.11734	11.7
121.10142	12.0
123.11740	8.0
125.13300	7.0
128.07127	6.4
128.41246	4.9
133.10123	5.1
135.11685	6.4
137.05901	5.2
167.03630	4.4
196.17984	5.0
209.19048	4.9
221.73134	4.7
226.17970	6.3
233.88332	4.5
275.27383	6.3
276.80493	4.9
293.28345	100.0
294.28690	7.2
306.86349	4.0
335.89066	5.3
336.32437	6.1
369.79364	5.4
382.35590	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	382.9984
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98641	0.4
56.96564	6.9
57.71998	0.2
69.82529	1.0
71.95261	2.1
98.97578	100.0
99.97926	0.5
116.98618	50.1
117.98920	0.6
134.99654	13.3
140.00200	0.7
142.54588	0.2
153.00690	1.3
158.01225	0.4
165.20132	0.2
174.97621	0.3
177.01009	0.4
192.98878	0.3
198.97527	0.3
216.98767	1.3
234.99794	1.5
240.98645	5.2
241.98947	0.7
258.99765	56.7
259.99957	5.2
261.03094	0.6
277.00806	75.6
278.01001	6.0
279.01199	0.3
282.01382	0.8
282.99939	3.8
283.99744	0.5
292.98962	0.3
295.01770	0.7
300.02347	1.4
301.00998	4.3
302.01328	0.8
303.00955	0.5
305.03757	0.2
316.95737	0.3
343.02255	0.8
350.62494	0.3
359.00369	0.8
364.99356	0.3
376.93439	0.2
382.99908	1.5
400.96356	0.4
401.01129	6.6
402.01379	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0948
Annotation	Resorcinolnaphthalein
Peak:m/z	Relative Intensity
57.07078	1.4
70.89881	2.1
71.21724	1.0
101.40866	1.1
161.88635	1.2
170.98212	1.1
179.59067	1.1
185.04210	16.8
209.10031	1.0
209.46477	1.1
221.04221	11.3
243.90149	1.3
378.68866	1.0
383.09445	100.0
384.09814	7.7
385.80988	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0948
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04521	3.4
65.38825	0.6
67.05486	0.8
69.03396	0.7
69.57626	3.8
70.06571	1.2
70.85500	0.9
81.07037	0.9
92.39499	0.8
95.08608	0.9
106.32008	0.7
111.05531	1.2
163.82404	0.8
178.94753	0.9
185.04202	49.9
186.04567	0.9
221.04187	23.4
222.04604	0.9
239.05096	1.1
291.57516	0.8
309.15005	0.7
349.40915	0.9
350.29950	0.9
380.75238	0.8
382.28033	1.3
383.09198	32.3
383.13116	100.0
383.22955	2.9
384.09521	1.9
384.13678	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	383.1124
Annotation	Austrobailignan 1
Peak:m/z	Relative Intensity
53.03934	1.2
55.01861	4.0
55.05499	1.4
65.03924	1.7
67.05500	2.6
69.07079	1.3
69.58474	0.9
71.32662	2.1
74.25597	1.1
79.05482	1.8
81.07043	2.7
83.08622	1.4
83.44357	1.2
85.02892	1.0
91.05477	3.1
93.07018	2.6
95.01342	1.2
95.04975	1.8
95.08580	2.6
104.22671	1.0
104.77492	0.9
105.07043	2.1
107.04929	1.2
107.08587	2.9
108.29008	1.1
109.10162	1.7
110.03646	1.7
111.04451	2.1
121.10114	2.1
125.06007	1.8
131.04973	1.5
133.10121	1.6
147.11803	1.6
149.95961	1.0
151.03954	1.4
153.05449	2.0
153.06976	1.8
160.84129	1.0
165.06960	6.4
166.07745	1.4
168.05608	1.3
169.64159	1.0
176.06194	1.1
177.07002	2.1
178.07748	10.2
179.08458	2.3
181.06502	6.4
183.08055	1.6
187.07516	1.5
189.06999	5.6
190.07742	3.1
191.08513	3.5
193.06422	2.2
194.07239	4.4
195.08052	3.3
197.05905	1.6
202.07861	2.6
203.08540	4.5
205.06454	6.6
206.07289	4.8
207.08011	6.0
208.08727	1.7
209.05943	3.5
209.09451	1.6
210.06691	1.6
211.07553	2.9
213.05293	1.2
218.07265	4.3
219.08008	4.8
220.05107	1.2
220.08817	3.4
221.05948	4.8
221.09659	5.5
222.06699	3.4
223.07486	4.3
224.08365	7.2
225.09100	3.0
226.06160	1.1
231.08093	5.2
232.08887	1.2
233.05962	2.7
234.06718	13.8
235.07509	5.4
236.08292	1.9
237.05450	2.3
237.09048	4.8
238.06256	1.4
240.07417	1.3
246.06848	1.7
247.07481	5.0
248.08344	8.3
249.05466	2.0
249.09122	6.9
250.06177	4.2
251.07068	6.1
252.07831	6.9
253.08592	4.2
254.09488	1.5
259.07571	1.3
261.05289	1.4
262.06226	4.7
263.07031	4.0
263.10760	2.3
264.07867	5.7
265.08585	8.2
266.09180	1.4
267.06390	1.7
268.07114	1.6
269.07870	1.5
275.07025	2.8
276.07739	3.5
277.08566	21.9
278.09167	4.3
279.06378	2.6
279.09924	1.9
280.07321	5.3
281.08130	2.6
291.10120	5.7
292.07199	2.0
293.07990	10.9
294.08798	4.2
295.09592	3.9
305.08041	34.5
306.08594	3.3
307.06195	1.4
307.09628	4.6
308.06677	2.3
308.10052	2.4
311.09140	1.8
321.07632	9.3
322.08215	2.8
323.09058	8.3
323.12772	13.5
324.09683	1.7
324.13235	1.6
327.12424	1.7
333.07620	1.2
335.09058	2.5
337.10754	4.1
351.12320	1.5
353.10172	2.4
355.11594	3.3
365.10040	1.5
383.11179	100.0
383.14914	4.2
384.11499	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	383.1123
Annotation	Austrobailignan 1
Peak:m/z	Relative Intensity
53.60653	0.8
55.01860	4.5
55.05493	1.3
65.03931	1.2
67.05485	2.9
69.07063	1.2
69.29847	0.7
69.30153	6.3
75.04460	1.0
76.19030	0.8
79.05470	1.8
81.07035	3.0
83.08621	1.1
85.02858	0.9
91.05459	3.2
93.07044	2.0
93.48586	0.9
95.04961	1.2
95.08591	2.4
97.06507	1.2
97.10152	1.1
105.06994	1.4
107.08578	2.0
109.06486	1.1
109.10112	1.2
110.03647	2.0
111.04410	2.0
115.05457	1.6
117.06959	1.2
119.08569	2.5
121.10130	0.9
123.07999	1.0
125.05949	1.9
131.04881	1.1
131.08548	1.1
133.10071	2.0
137.05945	1.7
145.06482	1.2
147.11655	1.0
151.03923	1.3
152.06151	2.5
153.05418	2.5
153.06978	1.6
165.06970	5.5
166.07690	1.7
167.08527	1.0
169.10257	0.9
176.06082	1.0
177.06941	2.0
178.07739	10.0
179.08508	2.3
181.06454	6.9
189.06985	3.3
190.07686	3.2
191.08517	4.3
192.05789	1.1
192.09209	1.0
193.04868	1.0
193.06494	2.8
194.07291	5.3
195.08081	4.4
202.07706	2.4
203.08522	1.1
205.06464	7.7
206.07263	6.5
207.08102	4.6
208.08803	2.0
209.05952	2.7
209.09538	1.4
210.06682	1.7
211.07497	2.8
213.09038	1.1
218.07281	4.4
219.08038	4.4
220.08751	1.3
221.05989	5.0
221.09589	3.6
222.06764	4.6
222.08524	0.9
223.07629	4.4
224.08292	5.8
225.09079	2.9
231.08022	2.1
233.05836	2.5
234.06729	15.4
235.07480	6.7
236.08243	3.3
237.05455	2.2
237.09059	3.9
239.06966	1.8
241.08487	1.5
246.06712	1.8
247.07472	3.0
248.08273	3.5
249.05408	2.5
249.09082	7.4
250.06221	2.7
251.07053	5.4
252.07777	6.7
253.08490	3.3
254.08989	1.1
255.06923	1.3
261.05374	2.0
261.09027	1.7
262.06155	2.7
263.06888	3.9
263.10571	1.3
264.07785	5.5
265.04834	1.2
265.08606	6.6
266.09189	1.7
267.06418	1.0
269.07922	2.0
274.06061	1.2
276.07690	2.6
277.08557	20.0
278.05923	1.6
278.09158	5.0
279.06409	5.3
279.09549	1.3
280.07312	4.7
280.09894	1.0
281.07980	3.0
283.09476	1.2
291.06705	1.2
291.10065	2.7
292.07352	2.3
293.08066	6.8
294.08676	4.2
295.09671	4.7
296.10519	1.3
297.07425	1.4
305.08029	34.6
306.08667	6.1
307.09558	6.8
308.06601	2.6
308.09973	1.6
309.07498	1.1
309.10843	1.6
311.09000	2.1
321.07593	11.2
322.08112	3.3
323.09003	9.0
323.12750	3.6
325.07236	1.3
325.10669	1.2
327.12207	1.4
333.07343	1.0
335.09033	3.3
337.10617	3.2
351.08588	3.9
353.10129	2.2
354.10809	1.0
355.11581	4.9
383.11084	100.0
383.19626	4.2
383.24057	16.9
384.11435	9.9
384.24329	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.131
Annotation	Unknow
Peak:m/z	Relative Intensity
69.35303	2.4
98.23294	0.6
121.06470	0.8
131.31274	0.4
132.73123	0.4
155.03415	0.6
203.05235	2.3
239.12357	0.5
323.09778	0.7
370.74597	0.5
383.13101	100.0
384.13400	8.5
389.13110	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04515	0.8
61.90986	0.3
69.03400	0.4
70.06593	1.9
71.32525	0.6
72.08154	0.4
104.38947	0.4
111.05560	1.0
121.78908	0.3
131.08574	0.6
133.75470	0.4
157.06140	0.6
167.03387	0.5
185.04202	4.7
193.08321	0.4
219.59512	0.4
221.04228	3.1
221.07831	0.8
230.60718	0.5
239.51900	0.4
246.16925	0.4
279.15961	0.4
365.06903	0.4
383.13171	100.0
383.23209	2.3
384.08881	0.5
384.13470	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	383.131
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04523	1.1
61.32225	0.8
78.16772	0.7
80.79607	0.7
88.30489	0.7
100.31717	0.7
108.34801	0.8
185.04176	1.3
206.25352	0.8
239.03957	1.1
323.06195	1.9
383.13138	100.0
384.13425	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	383.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.3
55.01873	0.5
57.03423	0.8
61.02911	0.4
62.83195	0.3
67.05489	0.8
68.99779	0.4
69.03413	0.8
70.06573	0.9
70.47167	0.7
71.04979	0.5
79.01842	3.7
79.05481	0.3
81.03410	1.3
85.02914	1.9
87.04494	0.4
91.05468	0.8
95.04949	0.7
97.02890	0.8
99.04378	0.3
105.06992	0.6
107.04897	0.3
109.02881	1.0
113.05999	0.5
119.08569	0.4
123.04443	0.4
131.08565	0.5
133.06485	0.6
135.04402	0.4
135.08017	0.4
137.06003	0.4
145.02820	0.5
147.04382	0.7
147.08029	0.6
149.02388	0.3
149.05962	0.5
151.03908	0.3
161.05942	0.5
162.06708	0.3
163.03859	1.5
163.06169	0.3
163.07492	0.7
163.11414	0.3
165.01846	1.3
165.05434	1.0
165.09090	0.5
171.02937	0.5
175.03865	0.6
175.07574	0.7
177.05490	1.6
177.09114	1.4
178.09947	0.6
183.46317	0.3
185.05875	0.5
187.03836	0.6
189.01825	0.4
189.05409	0.9
191.03329	0.4
191.07021	1.2
192.07663	0.5
193.05009	0.3
193.08679	2.2
193.27718	0.3
197.94383	0.3
201.05304	0.5
203.03416	0.5
203.06949	0.5
205.04970	1.5
205.08580	4.3
206.05968	0.5
206.09383	6.9
207.06570	0.4
209.08084	3.8
213.05420	0.6
215.03406	0.4
215.07042	1.6
217.04935	6.3
217.08394	0.8
218.05688	3.4
218.09187	0.5
219.02901	1.4
219.06473	3.1
220.07298	2.6
221.08006	4.1
229.04915	0.9
229.08499	0.5
230.05754	0.9
231.06483	2.5
231.10085	0.6
232.07286	2.0
233.08078	93.3
234.08817	39.4
235.06111	0.7
235.09369	3.1
239.09087	0.5
241.04895	1.2
243.02841	2.2
243.06563	1.3
244.07294	2.0
245.05965	0.2
245.08078	14.4
246.08577	1.1
247.05945	1.8
247.09653	18.3
248.06795	5.6
248.10014	1.5
257.08096	4.0
258.08862	6.0
259.06036	3.9
259.09637	4.8
260.06705	1.4
260.09943	0.3
261.03958	1.3
261.07578	4.7
261.10748	0.7
263.09137	100.0
264.09479	6.8
271.06216	0.7
271.09698	1.3
272.06848	1.2
272.10352	0.5
273.07675	2.0
273.11200	21.4
274.08578	0.5
274.11520	1.6
275.09116	5.6
276.09451	0.5
277.10788	2.1
283.09711	0.8
285.07529	0.8
286.08200	0.4
287.09116	26.1
288.09512	2.2
289.10669	0.6
291.08661	0.6
293.10196	5.8
294.10587	0.6
299.09109	1.5
301.07172	0.4
301.10681	7.9
302.11044	0.5
305.10245	2.3
311.09326	0.6
317.10187	24.3
318.10474	1.8
329.10172	14.3
330.10458	1.5
347.11234	35.3
348.11655	3.4
365.12296	46.2
366.12622	4.4
383.13324	59.1
384.13715	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	383.1333
Annotation	Inumakilactone C
Peak:m/z	Relative Intensity
50.20975	1.0
69.11331	4.1
69.11758	5.0
79.01857	3.9
90.31158	0.9
101.16622	1.0
149.02304	1.3
163.07628	1.5
165.01782	1.9
177.05481	1.7
191.07137	1.2
193.08650	2.2
205.04855	1.1
205.08679	3.0
206.09332	8.3
209.08145	2.1
215.07079	1.7
217.04901	5.3
218.05721	3.5
219.06502	3.2
220.07385	2.1
221.08105	2.8
230.05782	1.4
231.06573	2.6
232.07327	3.0
233.08061	90.4
234.08817	34.5
235.09569	1.8
241.04831	1.3
243.02890	1.9
243.06487	1.3
244.07411	1.4
245.08072	16.0
246.08702	1.4
247.05904	2.4
247.09647	16.5
248.04642	1.0
248.06815	6.3
248.09700	0.9
257.08069	3.4
258.08792	6.1
259.06027	3.7
259.09601	4.1
261.03986	1.3
261.07565	4.9
263.09131	100.0
264.09500	8.1
273.08099	2.1
273.11191	17.0
274.11523	1.9
275.09198	5.6
277.10730	2.3
287.09100	20.1
287.42511	1.0
288.09610	1.6
293.10181	7.2
299.09125	2.1
301.10681	7.1
305.10202	2.2
317.10172	24.3
318.10696	2.4
329.10123	13.0
342.34363	1.0
347.11221	32.5
348.11609	3.4
365.12271	42.9
366.12695	3.7
383.13330	58.7
384.13718	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	383.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	0.5
57.03441	0.8
57.04144	0.3
67.05527	0.5
71.32913	0.4
72.20869	0.4
79.96189	0.3
81.03420	0.7
85.02906	1.7
91.05506	0.5
92.16332	0.3
92.99787	0.5
93.07057	0.5
95.04966	0.4
97.02924	0.8
103.03956	0.7
103.05489	0.3
109.02887	0.7
111.25864	0.3
113.06020	0.7
128.06261	0.4
137.02361	0.4
137.06004	1.0
141.01872	0.4
147.04442	0.4
149.05957	0.5
153.01886	0.6
163.03963	0.3
165.01872	1.3
165.07024	0.3
167.03447	0.7
168.26910	0.3
171.07996	0.3
174.06773	0.9
176.81531	0.3
177.05490	0.7
179.07045	0.7
183.02852	0.4
187.03854	0.3
189.01865	0.5
189.05475	0.4
189.09152	0.9
191.07018	0.5
199.07532	0.4
201.05502	0.5
202.06215	1.0
202.07834	0.5
203.03435	0.3
203.08652	0.7
205.08537	0.5
206.05746	0.3
206.09361	0.3
215.07008	0.5
216.07776	0.7
217.05237	1.7
217.08574	11.6
218.05695	5.7
218.08922	0.5
219.06418	1.1
219.08162	0.8
219.09938	0.3
220.07111	2.3
220.09102	0.7
221.08080	5.5
223.06013	0.7
228.07909	0.3
229.04939	1.6
229.08574	1.0
230.05626	1.8
231.06262	0.7
231.08081	1.0
231.10114	5.5
233.08063	100.0
234.08607	11.9
235.09264	0.8
239.06923	0.7
240.07745	0.8
241.08504	0.6
243.06454	2.6
243.10147	0.7
244.07307	4.6
245.08041	10.1
245.11690	1.5
246.08531	0.7
246.12303	0.3
247.05869	1.0
247.07768	0.5
247.09592	2.0
248.06456	1.0
248.08353	1.5
249.09131	0.7
250.06071	0.3
255.10152	2.6
256.07318	0.8
257.04639	0.3
257.05548	0.4
257.08069	3.1
258.08859	2.8
259.06061	1.7
259.09653	17.3
260.10031	1.3
261.07550	0.6
263.09100	69.0
264.09521	4.6
265.08551	0.9
267.06488	0.4
268.07126	0.8
269.08279	0.5
270.08762	0.4
271.09671	2.4
272.06815	0.4
273.08246	0.6
273.11212	10.7
274.11548	0.7
275.09155	0.5
276.07904	1.8
277.08487	0.8
278.05804	0.3
283.06470	0.5
283.09604	3.6
283.62225	0.3
285.07425	0.8
287.09113	33.7
288.09506	2.7
290.09402	0.5
291.10077	3.2
292.10632	0.6
293.08051	1.8
294.08359	0.3
295.05878	0.4
296.06760	0.6
299.09128	11.4
300.09409	0.6
301.10641	2.0
303.04962	5.4
304.05252	0.3
306.08450	0.3
307.09637	0.8
308.10510	0.7
311.09109	9.6
312.09225	0.4
313.06839	0.4
315.08588	0.4
317.10181	19.2
318.10718	1.4
319.09537	0.6
323.09082	0.5
323.12726	6.2
324.13031	0.5
329.10162	15.1
330.10617	1.6
337.10669	0.7
347.11218	14.3
348.11444	1.1
351.12140	1.3
352.12650	0.4
353.10104	0.8
365.12308	7.1
366.12619	0.6
368.12476	0.9
383.00513	0.6
383.14139	6.3
383.20117	0.7
384.13803	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.7
55.01873	1.7
56.90157	1.6
57.03435	4.4
61.02930	5.2
69.03426	10.2
70.62340	1.7
70.62652	3.9
71.01354	1.9
73.02890	1.7
74.02439	3.8
74.69006	1.8
76.42626	1.5
81.03401	8.5
85.02903	34.6
92.90157	1.8
94.06575	3.7
97.02896	9.3
98.97584	24.7
103.03976	2.2
109.02898	3.5
115.04058	1.6
116.98576	9.5
118.06518	8.3
119.01937	1.6
127.03925	6.1
128.54079	1.5
130.06520	82.4
131.06877	2.9
132.04456	24.1
132.05354	2.3
132.08087	7.3
134.99657	2.7
142.06551	3.5
143.07294	3.0
144.06926	4.4
144.08070	32.2
145.07581	24.8
145.08559	2.2
146.05980	17.0
146.07896	2.0
148.07550	4.9
154.06523	7.6
156.06793	3.1
156.08119	4.8
157.07602	73.3
158.06007	57.8
158.08015	4.2
159.06339	3.2
159.09198	8.5
160.07574	4.0
166.38170	1.8
167.07219	2.2
169.07649	6.3
170.06042	3.7
170.08353	2.3
171.09172	11.5
172.07596	15.6
173.10732	3.9
174.05533	9.1
175.08669	63.8
176.07137	3.7
176.09009	2.9
181.07561	4.1
182.06178	2.0
182.08379	6.5
183.09189	19.3
184.07590	4.4
185.07066	13.1
186.05516	4.1
186.07901	4.5
187.08611	4.0
196.07652	3.3
199.08665	14.1
200.07072	19.1
203.08154	100.0
204.06589	4.1
204.08484	4.6
207.09135	3.8
209.07042	7.9
211.45061	2.0
213.06609	2.1
215.08147	3.8
216.06506	1.9
216.08899	3.2
217.09738	33.5
217.11690	1.6
221.09187	51.3
221.11182	3.3
221.12636	2.2
222.09473	2.0
224.06885	1.8
227.08188	13.7
228.06584	4.1
231.07687	6.7
245.09216	26.6
257.09341	3.2
258.85229	1.8
258.99686	10.5
263.10269	36.2
264.10654	2.6
269.09198	2.3
275.10464	1.7
277.00787	15.5
278.01233	2.0
287.10104	2.0
299.10168	5.2
311.10080	2.0
329.11353	2.8
347.12363	8.9
348.10684	12.1
365.13400	28.2
366.13727	2.0
383.14182	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	383.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
62.19167	0.6
70.21392	2.0
83.24847	0.5
105.07037	0.7
108.89093	0.6
119.08575	0.6
196.12213	0.6
200.63100	0.7
238.52374	0.6
247.07483	0.6
291.10147	1.6
323.12683	1.6
351.12207	0.9
353.13446	3.0
365.13535	1.9
383.14618	100.0
384.15073	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	383.1476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.3
55.05524	1.5
59.05015	1.2
60.53007	1.2
67.05501	3.2
69.07057	1.5
71.32775	1.6
79.05490	3.3
81.07072	3.8
83.08604	1.4
91.05518	3.2
93.07053	2.6
95.08627	4.1
95.29640	1.3
97.06533	1.5
105.07039	3.9
107.08557	1.6
109.10174	3.5
119.08611	2.9
129.06943	1.4
135.11670	1.8
137.05997	5.7
149.05986	1.5
175.07521	1.4
182.15216	1.4
186.06534	1.9
187.07541	2.7
189.09201	2.1
191.08675	2.5
191.72308	1.4
192.09265	1.5
199.07556	1.8
200.08214	1.2
201.09172	2.1
202.07794	8.7
203.08574	17.0
205.06438	2.9
206.07417	1.9
215.08629	2.3
217.06622	1.5
217.08568	2.4
219.08035	6.8
220.08832	10.6
222.06676	1.4
225.09151	1.5
229.12227	1.5
230.07330	2.4
231.08028	24.0
232.08792	6.9
233.06006	4.4
233.09673	2.0
234.06741	4.4
235.07605	1.5
236.08548	1.8
237.09198	3.6
245.09561	2.2
247.07607	9.0
248.08311	28.5
249.08949	6.6
250.06223	4.3
254.13921	1.2
259.07559	6.5
260.08322	8.5
261.05478	1.4
261.09045	3.2
262.06207	2.2
262.09946	3.5
263.10681	22.0
264.11139	1.3
265.08588	6.0
273.09021	1.6
275.06921	3.1
276.07797	17.5
277.08514	11.8
278.05817	3.2
279.10223	2.4
280.10992	1.6
289.08725	1.8
290.09332	3.4
291.10153	47.6
292.07507	2.2
292.10748	8.4
293.08044	18.6
307.09720	4.5
308.10272	8.1
323.12769	100.0
324.13092	10.1
336.09924	2.0
337.10828	1.6
351.12253	4.8
353.10217	1.9
368.12616	1.6
383.14801	50.1
383.20401	8.3
384.15195	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.4
58.04402	0.6
64.93887	0.6
67.05503	6.4
69.07072	1.5
69.63755	3.2
71.04969	0.7
77.61244	0.5
79.05498	2.1
81.07053	4.5
83.08602	1.4
91.05495	1.9
93.07039	2.5
95.08615	3.8
96.57265	0.6
105.07027	4.2
107.08579	3.1
109.10173	4.9
111.08086	1.1
119.08557	3.5
121.10128	2.2
127.07551	0.7
131.08595	1.1
133.10139	2.0
135.08049	0.9
135.11716	1.4
137.05968	0.8
137.09586	0.8
145.10100	2.8
147.11667	1.4
149.09489	0.6
149.13307	1.3
157.10083	0.8
159.11761	1.5
161.09634	0.8
161.13318	1.3
173.11786	1.0
173.13271	1.0
175.14827	1.1
189.05225	2.1
199.07315	3.2
201.05215	2.2
201.16490	0.8
202.06003	33.6
203.06752	10.4
204.07040	0.6
212.15419	0.7
214.13173	0.7
229.12233	1.2
243.08539	0.7
266.77896	0.6
279.23438	0.7
296.45255	0.7
351.12042	2.2
383.14648	100.0
383.25006	2.2
383.29483	2.1
384.14932	9.2
384.30609	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	383.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.1
55.05506	3.5
67.05508	9.3
69.07055	3.7
71.04965	2.5
71.33524	1.8
79.05509	11.2
81.07043	15.6
83.08610	4.2
91.05470	10.7
93.07025	7.4
94.04168	5.8
95.08604	7.4
99.04468	4.5
103.05462	5.5
104.52188	1.7
105.07024	39.3
107.08585	5.6
109.06512	5.7
109.10165	9.3
113.05951	2.3
115.05456	10.3
118.04153	2.9
118.94673	1.8
119.08559	5.4
120.70513	1.8
121.10142	3.8
122.03664	12.4
128.06223	4.3
129.06996	2.1
129.53142	1.7
131.04938	2.5
131.08565	3.7
133.06474	25.0
133.10091	4.6
135.11690	3.6
137.05971	100.0
143.08533	3.2
145.10136	3.9
146.03586	5.7
157.10104	4.0
159.11671	3.9
161.05971	96.0
162.06516	4.3
171.07962	2.7
175.07532	2.6
175.14925	2.7
184.05176	3.9
184.38968	2.1
185.13211	2.5
187.07480	3.1
191.08511	6.0
192.09283	4.5
199.07500	24.0
199.14763	2.2
200.07921	1.9
202.06006	2.5
202.07732	22.2
203.08528	27.7
204.09143	4.2
205.06470	4.0
211.14853	1.9
213.16438	2.0
219.08031	11.3
220.08795	10.5
221.09442	3.1
230.07300	4.6
231.08043	35.3
232.08786	13.5
233.09584	3.6
234.06772	2.2
235.11098	2.6
243.08087	2.2
247.07526	12.1
248.08281	20.4
249.08879	5.1
250.09637	1.9
258.06549	3.5
259.07568	33.1
260.08221	13.6
261.08902	4.4
262.09793	2.6
263.10678	17.8
264.10794	2.6
265.08475	2.9
275.06873	2.4
276.07660	11.2
277.08429	7.4
283.06155	1.9
291.10123	67.5
292.10687	9.5
293.08023	3.5
308.10587	3.4
323.12759	22.4
324.12946	2.2
345.52597	2.1
351.12201	34.4
365.28278	2.4
383.14624	13.2
383.19739	3.2
383.29532	11.2
384.30658	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	383.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.7
57.03436	4.2
61.02927	3.0
63.55137	1.4
69.03438	12.1
69.07082	2.3
70.06590	5.1
71.04975	4.7
71.32139	2.3
73.02926	1.5
73.06547	2.9
75.83216	1.4
79.05476	3.0
81.03408	3.6
81.07040	1.6
83.04956	1.4
85.02894	7.3
91.05482	2.9
93.07036	5.5
94.07372	1.9
95.08593	3.3
97.02885	4.0
99.04430	2.3
101.06020	2.3
105.07030	1.7
107.08553	3.5
110.01629	1.4
111.04449	2.0
115.03918	1.4
119.08561	1.7
121.10146	3.3
127.03955	1.9
133.07619	3.8
137.06041	2.0
139.11255	1.8
140.11510	2.4
141.07016	1.6
144.05614	1.8
145.04979	1.9
145.07620	10.3
147.04407	3.1
151.03891	2.0
157.12236	3.0
163.03960	2.1
163.08691	9.4
165.05428	1.6
167.06981	3.5
175.08720	3.6
177.05362	2.5
186.06795	2.3
188.87433	1.7
189.06648	5.6
191.08539	1.8
191.53316	1.4
201.19043	1.4
203.08467	2.3
204.04523	1.5
204.13156	4.0
205.06650	2.0
207.07655	86.8
208.07918	2.1
218.07314	2.1
219.08032	5.6
220.08820	2.7
221.09422	4.0
221.11736	5.1
223.07675	1.6
229.08437	1.7
231.07950	5.6
232.07068	9.2
233.07883	2.9
235.11198	2.3
238.05312	12.2
247.07478	8.5
248.08319	6.4
251.06963	2.0
259.07581	2.1
261.09119	3.3
262.06021	1.8
262.10010	2.5
263.10745	4.3
263.20328	1.6
263.60098	1.4
265.08560	3.4
275.07031	3.7
276.07880	7.6
277.05524	1.7
277.08618	4.1
278.09381	2.0
279.10434	2.4
279.13419	6.3
287.09732	2.7
287.81339	1.5
290.09274	4.2
291.10190	7.4
292.07343	3.6
293.08011	6.1
305.11581	2.7
307.09674	4.3
308.10382	5.2
319.09561	4.0
321.07446	3.4
322.11868	2.0
323.08908	2.7
323.12411	33.2
324.12827	3.0
336.09906	3.7
337.10602	7.2
338.07645	3.1
348.11673	2.8
351.12195	10.7
352.13065	3.6
353.10239	6.8
366.12967	100.0
367.13565	8.8
368.12592	9.1
383.14838	51.0
384.15005	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	383.17
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.8
55.01855	1.4
55.05498	1.7
57.03434	3.2
59.04999	1.6
59.48132	1.1
60.97106	1.1
61.02896	1.6
65.03962	2.0
67.05503	5.2
69.03431	7.6
69.07064	4.4
71.04997	2.7
71.32681	1.1
71.33065	1.4
79.05486	2.1
81.03414	4.4
81.07056	6.3
83.04993	1.2
85.02895	17.1
86.06078	2.3
91.05477	4.6
92.56477	1.0
93.07030	5.7
95.04955	2.3
95.08608	4.9
97.02895	3.4
99.04448	1.9
103.05471	1.4
103.42947	1.2
105.07045	3.6
107.08573	5.1
109.02909	2.5
109.06533	2.1
109.10176	2.9
109.60245	1.2
111.04461	1.4
115.05485	1.5
117.07028	3.8
119.08604	5.9
120.42331	1.1
121.06509	3.0
121.10176	3.1
122.03722	1.8
123.04440	3.4
123.08023	1.4
123.44199	1.1
125.05986	1.4
127.03925	4.6
128.06184	1.7
131.04913	2.0
131.08565	2.3
133.06549	1.6
133.10133	3.6
135.11681	1.9
137.05974	35.4
141.06932	1.5
143.08551	5.2
145.06453	13.2
145.10115	3.8
146.05965	1.6
147.04407	1.8
147.08060	1.6
147.11694	2.6
149.06032	1.7
149.13206	1.9
151.03925	2.4
151.07483	6.0
157.10165	1.6
159.11778	1.4
160.05090	1.5
161.05946	3.2
161.09662	2.6
161.13243	1.8
162.06787	7.7
163.03838	1.5
163.07552	1.8
165.05472	4.4
167.01491	1.4
167.03355	2.0
167.07095	1.2
171.08035	3.6
173.06030	1.4
175.03952	2.5
175.07547	1.7
177.05589	1.7
177.09087	11.3
181.05035	7.8
181.08635	1.5
186.55548	1.2
188.08330	6.8
189.09114	1.6
191.10646	1.9
193.04951	1.9
193.08566	1.9
193.12285	1.6
195.06422	1.4
200.53632	1.2
203.10643	17.7
204.11076	1.3
207.06639	2.0
209.08025	1.4
215.06898	1.3
217.04955	2.0
217.08641	4.4
218.05698	2.5
219.08124	1.3
221.08093	8.7
221.11707	100.0
222.11975	5.5
229.04924	1.6
229.15912	1.4
231.10182	3.5
233.08063	43.5
234.08794	8.9
244.07210	1.6
245.08061	4.7
247.09679	2.1
257.07986	2.0
259.07031	1.3
259.09586	6.2
261.07593	1.6
263.09061	31.6
264.09448	2.3
273.11285	5.5
276.07550	1.6
283.09653	1.9
287.09082	11.8
299.09146	3.0
311.09274	3.5
317.10263	7.5
323.12598	1.4
329.10208	7.3
337.10306	1.6
347.11139	7.9
347.18723	2.0
353.09866	1.5
365.12555	8.1
383.14105	9.5
383.20291	5.9
383.29489	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	383.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25437	0.5
53.03933	1.0
55.01871	2.5
55.05509	3.9
57.03431	1.2
57.07090	0.7
57.17664	0.5
59.04989	0.8
65.03931	4.4
67.05500	9.6
69.07069	8.2
71.04996	0.9
77.03960	0.6
79.05492	9.0
81.03445	0.6
81.07053	7.8
83.04983	1.6
83.08629	1.6
85.02901	0.6
85.06561	0.7
91.05470	12.2
93.03399	4.2
93.07040	7.5
94.04206	1.6
95.04958	3.1
95.08600	6.0
97.06514	3.1
97.10169	1.0
98.22517	0.9
99.04482	0.6
99.08076	0.8
103.05463	5.2
105.04508	0.8
105.07025	15.0
105.07744	0.9
107.04949	6.8
107.08583	4.6
108.02107	1.6
109.06508	1.7
109.10162	5.2
110.03694	0.5
111.04432	5.1
111.08140	0.7
113.06017	0.6
115.05442	2.1
115.07571	1.1
117.07021	5.6
119.04940	5.7
119.08557	4.4
121.06536	1.2
121.10156	6.1
122.03643	4.6
122.10495	0.6
123.08020	0.7
123.11655	0.6
125.05988	6.7
125.09610	0.7
128.06187	3.7
129.06992	2.0
131.04916	3.5
131.08546	3.5
132.05688	2.0
133.06477	6.8
133.10136	2.3
135.04428	0.7
135.08044	7.6
135.11682	3.9
136.05203	0.8
137.05968	71.0
138.06319	2.2
139.11200	1.9
141.05441	2.4
143.08533	6.8
144.05713	1.0
145.06471	9.5
145.10071	4.4
146.07268	4.5
147.04404	4.0
147.08018	2.6
147.11699	1.1
148.05197	0.9
149.05925	1.1
149.09628	1.6
149.13266	0.8
151.03906	93.9
151.04997	8.4
151.07524	24.7
151.08745	1.2
152.04239	4.4
152.07906	1.4
153.05460	9.9
155.08519	1.3
157.06468	0.8
157.10184	0.8
158.07228	0.8
159.08046	2.6
159.11697	1.2
160.05182	3.2
160.08853	0.9
161.06000	1.2
161.09598	6.2
161.13219	0.8
162.06772	8.7
162.09999	0.6
163.07552	9.7
163.11162	5.3
164.08324	2.7
165.05476	0.5
165.06915	0.7
165.09108	10.2
166.09445	0.6
171.08049	6.6
171.11755	0.8
172.08838	1.0
173.05994	1.3
173.09605	3.0
173.11725	0.9
173.13245	0.7
174.06831	0.6
175.07538	77.3
175.11127	2.1
176.07880	3.4
177.09091	7.1
179.07082	2.6
179.10712	0.5
181.12206	1.1
183.08061	1.3
185.09621	0.8
187.07452	0.9
187.11215	0.9
187.14857	0.6
188.08299	7.2
189.05443	9.9
189.09076	8.4
190.09601	0.6
191.07014	10.0
191.10696	4.3
193.08580	0.8
193.12225	0.8
198.10355	1.1
199.07500	0.7
200.08275	1.9
201.09161	1.7
202.10014	0.7
203.10661	52.3
204.10971	3.2
207.10126	0.7
209.09637	0.9
209.11707	1.2
210.10358	2.8
211.07489	2.5
212.82887	0.5
213.09138	1.5
213.12756	1.7
214.30565	0.5
215.10677	7.5
217.08534	0.9
219.10162	3.3
221.11713	100.0
222.12029	4.7
226.09883	9.3
227.10648	0.9
227.12740	6.6
229.12268	2.1
231.10088	1.0
231.13751	2.5
233.08073	2.2
234.08807	0.6
241.12219	22.9
242.12457	1.3
244.10800	0.7
251.20052	1.3
259.13287	37.5
260.13586	2.7
263.09094	1.6
267.10117	0.7
307.13086	0.9
329.21173	0.8
333.14639	1.1
337.47037	0.6
347.22113	1.6
364.50748	0.6
365.13181	0.9
365.17383	8.5
365.22992	1.5
366.17685	1.2
383.14880	0.6
383.18445	16.5
383.29346	1.7
384.18787	1.6
384.30615	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25437	0.5
53.03933	1.0
55.01871	2.5
55.05509	3.9
57.03431	1.2
57.07090	0.7
57.17664	0.5
59.04989	0.8
65.03931	4.4
67.05500	9.6
69.07069	8.2
71.04996	0.9
77.03960	0.6
79.05492	9.0
81.03445	0.6
81.07053	7.8
83.04983	1.6
83.08629	1.6
85.02901	0.6
85.06561	0.7
91.05470	12.2
93.03399	4.2
93.07040	7.5
94.04206	1.6
95.04958	3.1
95.08600	6.0
97.06514	3.1
97.10169	1.0
98.22517	0.9
99.04482	0.6
99.08076	0.8
103.05463	5.2
105.04508	0.8
105.07025	15.0
105.07744	0.9
107.04949	6.8
107.08583	4.6
108.02107	1.6
109.06508	1.7
109.10162	5.2
110.03694	0.5
111.04432	5.1
111.08140	0.7
113.06017	0.6
115.05442	2.1
115.07571	1.1
117.07021	5.6
119.04940	5.7
119.08557	4.4
121.06536	1.2
121.10156	6.1
122.03643	4.6
122.10495	0.6
123.08020	0.7
123.11655	0.6
125.05988	6.7
125.09610	0.7
128.06187	3.7
129.06992	2.0
131.04916	3.5
131.08546	3.5
132.05688	2.0
133.06477	6.8
133.10136	2.3
135.04428	0.7
135.08044	7.6
135.11682	3.9
136.05203	0.8
137.05968	71.0
138.06319	2.2
139.11200	1.9
141.05441	2.4
143.08533	6.8
144.05713	1.0
145.06471	9.5
145.10071	4.4
146.07268	4.5
147.04404	4.0
147.08018	2.6
147.11699	1.1
148.05197	0.9
149.05925	1.1
149.09628	1.6
149.13266	0.8
151.03906	93.9
151.04997	8.4
151.07524	24.7
151.08745	1.2
152.04239	4.4
152.07906	1.4
153.05460	9.9
155.08519	1.3
157.06468	0.8
157.10184	0.8
158.07228	0.8
159.08046	2.6
159.11697	1.2
160.05182	3.2
160.08853	0.9
161.06000	1.2
161.09598	6.2
161.13219	0.8
162.06772	8.7
162.09999	0.6
163.07552	9.7
163.11162	5.3
164.08324	2.7
165.05476	0.5
165.06915	0.7
165.09108	10.2
166.09445	0.6
171.08049	6.6
171.11755	0.8
172.08838	1.0
173.05994	1.3
173.09605	3.0
173.11725	0.9
173.13245	0.7
174.06831	0.6
175.07538	77.3
175.11127	2.1
176.07880	3.4
177.09091	7.1
179.07082	2.6
179.10712	0.5
181.12206	1.1
183.08061	1.3
185.09621	0.8
187.07452	0.9
187.11215	0.9
187.14857	0.6
188.08299	7.2
189.05443	9.9
189.09076	8.4
190.09601	0.6
191.07014	10.0
191.10696	4.3
193.08580	0.8
193.12225	0.8
198.10355	1.1
199.07500	0.7
200.08275	1.9
201.09161	1.7
202.10014	0.7
203.10661	52.3
204.10971	3.2
207.10126	0.7
209.09637	0.9
209.11707	1.2
210.10358	2.8
211.07489	2.5
212.82887	0.5
213.09138	1.5
213.12756	1.7
214.30565	0.5
215.10677	7.5
217.08534	0.9
219.10162	3.3
221.11713	100.0
222.12029	4.7
226.09883	9.3
227.10648	0.9
227.12740	6.6
229.12268	2.1
231.10088	1.0
231.13751	2.5
233.08073	2.2
234.08807	0.6
241.12219	22.9
242.12457	1.3
244.10800	0.7
251.20052	1.3
259.13287	37.5
260.13586	2.7
263.09094	1.6
267.10117	0.7
307.13086	0.9
329.21173	0.8
333.14639	1.1
337.47037	0.6
347.22113	1.6
364.50748	0.6
365.13181	0.9
365.17383	8.5
365.22992	1.5
366.17685	1.2
383.14880	0.6
383.18445	16.5
383.29346	1.7
384.18787	1.6
384.30615	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25341	2.4
55.05505	3.2
57.03437	12.1
59.29116	2.2
67.05504	2.7
69.03439	8.0
69.23338	2.3
70.39578	8.7
71.05000	44.8
73.02921	3.7
75.04485	10.6
79.05507	5.0
81.03423	4.9
81.07079	5.4
83.04984	10.9
85.02907	100.0
87.04461	6.5
91.05502	2.6
93.07063	3.9
97.02896	8.1
99.04430	3.7
103.03974	4.0
107.08617	7.1
108.08929	5.6
109.02875	5.5
111.04496	5.5
123.04478	4.7
127.03903	13.5
128.42377	2.5
129.05478	30.2
145.04994	6.6
147.04416	4.2
147.06490	15.4
163.06020	4.5
166.08736	3.8
167.10681	5.7
168.11029	4.4
181.04984	5.8
222.14970	6.1
233.08113	6.2
238.05365	8.8
273.12158	3.1
275.13864	11.4
279.08987	3.0
299.13843	3.6
305.14996	3.0
306.66284	3.2
312.35458	2.5
366.12711	3.8
383.04395	3.9
383.13464	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	383.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.4
55.05508	4.0
57.03446	10.7
59.04987	1.6
61.02911	2.6
67.05508	1.7
69.03430	6.3
71.01363	2.1
71.04995	43.7
71.31528	2.0
73.02908	4.7
75.04475	6.4
81.03413	4.1
81.07052	2.1
81.15400	1.4
83.04986	10.4
85.02908	100.0
86.03245	2.7
87.04453	3.6
95.04966	2.8
97.02915	7.8
99.04472	2.0
103.03930	1.8
105.07005	1.8
107.08627	2.3
108.08965	1.6
109.02879	2.7
111.04446	6.2
123.04434	1.7
124.66286	1.9
127.03928	9.0
129.05476	30.3
131.08600	1.9
137.05931	1.6
145.04930	7.4
147.06555	18.0
163.06079	3.1
164.06955	2.1
168.11052	1.9
181.04921	3.6
221.08046	2.4
222.77251	1.6
238.05310	4.1
275.13882	3.6
337.10526	2.5
351.12210	1.9
365.14453	2.5
368.12375	2.9
383.15909	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	383.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79735	1.1
55.01866	3.9
55.05507	5.9
57.03435	2.1
67.05502	10.0
69.07068	2.9
69.99699	4.5
70.52713	1.1
71.04968	1.3
79.05483	6.0
81.07059	9.1
83.04973	1.8
83.08616	2.5
91.05466	8.9
93.07051	7.2
95.04947	1.2
95.08602	11.0
97.10140	2.1
105.07008	4.0
107.08560	4.0
109.06534	1.5
109.10119	4.9
111.08084	1.4
117.06989	1.3
119.08570	4.6
121.10136	4.2
123.08054	6.4
125.09643	1.4
126.33730	1.2
131.08582	2.2
133.10120	2.5
135.08078	1.5
135.11656	1.7
137.05988	2.1
137.09613	4.5
145.10103	2.3
149.13213	1.4
151.03853	1.2
153.09064	1.3
157.10095	1.1
158.22914	1.1
159.11700	1.9
161.09653	1.2
171.11697	1.8
173.13237	1.1
185.13293	1.1
187.14911	1.4
189.11279	1.6
203.08562	1.4
220.08870	1.6
234.06650	1.4
235.20685	1.4
248.08345	3.4
251.06894	1.6
263.10614	1.4
263.20007	1.2
273.18445	2.6
277.08542	2.1
291.10074	4.6
291.19574	7.5
293.08148	2.1
305.07980	1.8
309.20483	1.7
321.20306	3.4
323.09317	1.7
323.12711	7.0
323.16205	1.4
351.08557	1.3
365.19135	1.4
383.10620	8.6
383.15137	4.3
383.20319	100.0
383.28027	4.0
384.11249	1.3
384.20544	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	383.2041
Annotation	His Ile Asn
Peak:m/z	Relative Intensity
53.40473	0.3
55.05516	1.0
67.05503	3.5
69.07054	0.8
69.16489	2.7
71.04987	0.6
79.05482	1.3
81.03416	0.4
81.07059	2.0
83.05010	0.3
85.06572	0.4
91.05478	1.3
93.07038	1.4
95.04975	0.9
95.08587	1.8
97.06552	0.5
103.66243	0.3
105.07040	1.6
107.04936	0.4
107.08603	1.3
109.06486	0.7
109.10140	2.7
113.06006	1.0
115.05422	0.4
117.07043	0.5
119.08601	1.9
121.06561	0.4
121.10148	1.4
123.08070	0.4
123.11716	0.4
125.09570	0.5
128.02345	0.4
129.06985	0.5
131.08559	1.3
133.10127	1.3
135.08051	0.5
135.11708	0.7
137.05998	1.0
137.09586	0.4
145.10077	0.4
147.04509	0.3
147.08112	0.5
147.11684	0.8
149.09543	0.5
149.13234	0.4
151.07526	0.4
151.11226	0.3
159.11720	0.4
161.13301	0.6
163.07480	0.4
164.66699	0.3
173.11800	0.8
175.07617	0.5
175.14867	0.4
178.42374	0.4
186.93169	0.4
217.08684	0.8
218.05791	0.5
221.08003	0.7
229.08783	0.5
231.10063	0.5
233.08069	7.1
234.08734	1.0
245.08115	0.4
259.09671	1.3
263.09158	4.8
264.09506	0.4
273.11188	0.9
277.08459	0.4
287.09164	2.2
299.09210	0.8
311.09015	0.9
317.10202	1.4
321.20346	3.6
329.10217	1.1
347.11249	0.9
365.12320	1.0
365.19400	0.6
383.20374	100.0
384.20718	8.8
384.25613	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2061
Annotation	Viguilenin
Peak:m/z	Relative Intensity
67.05510	13.4
67.16864	3.7
67.99105	3.6
69.03423	10.0
69.22275	32.5
70.89508	3.8
72.74831	3.4
79.05498	22.3
80.80410	3.6
81.07054	29.6
85.02908	7.5
85.06532	3.5
89.03927	5.3
91.05479	30.8
93.07031	32.4
95.04967	10.4
95.08614	21.1
105.07008	30.1
107.04961	17.2
107.08589	36.4
109.06542	7.4
109.10156	52.8
111.08097	5.8
117.03395	7.6
117.07008	8.0
119.04946	9.3
119.08556	27.8
121.06525	7.8
121.10133	13.7
125.09657	5.6
128.06216	3.9
129.06984	5.1
130.06505	4.3
131.08556	16.9
133.06398	4.4
133.10143	5.7
135.04427	7.7
135.08031	29.1
137.02415	3.7
137.05957	5.5
137.09630	11.4
143.08589	12.6
145.02875	8.2
145.06465	4.6
145.10109	17.7
147.04477	4.2
147.08017	7.1
147.11670	11.4
149.09650	9.4
153.09082	37.4
155.07133	4.1
155.08493	8.8
157.07619	4.6
157.10167	10.9
158.05977	5.4
159.11702	11.8
162.05515	6.1
163.03902	39.1
163.07559	6.7
163.11237	7.9
164.04230	4.8
165.05562	4.5
165.09138	50.4
167.03421	42.9
169.10117	8.6
171.11688	5.4
175.08650	12.6
175.11151	10.7
181.04988	8.7
181.08606	12.9
181.10085	7.9
183.11658	7.9
189.05453	5.1
191.10612	10.3
195.11736	9.1
197.09634	3.6
197.13196	7.7
199.14867	5.8
209.13280	6.2
215.14381	12.9
221.09402	10.0
227.17924	5.1
233.08122	40.4
234.08794	11.1
237.16322	11.5
239.17885	28.9
240.18268	5.1
243.13734	7.1
245.08014	4.5
247.07433	7.1
247.09758	7.1
247.14771	6.4
248.08304	8.9
255.17413	32.7
257.19034	16.1
259.09686	8.0
261.14920	24.3
262.15338	3.9
263.09033	36.3
265.15924	20.2
273.11276	10.5
273.18542	9.8
276.07761	5.1
277.08533	6.2
283.16904	41.7
287.09225	8.4
291.09982	9.4
293.08026	9.4
301.10364	4.4
301.17987	39.4
302.18250	5.4
303.08673	25.5
307.09732	5.3
311.16434	33.1
312.16800	6.2
317.09872	6.5
319.19049	55.0
320.19232	5.2
329.10086	6.7
329.17374	26.3
337.20096	54.7
338.20316	6.7
347.11356	14.8
347.18518	57.3
348.19223	4.9
351.12277	7.2
353.09964	7.2
358.81653	4.0
365.12219	16.2
365.19540	80.5
366.19885	6.6
368.12469	9.1
383.04587	9.6
383.13071	100.0
383.20523	18.8
384.14020	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2402
Annotation	Lys Val His
Peak:m/z	Relative Intensity
54.15297	0.5
55.05506	1.7
67.05500	3.7
69.07052	2.0
69.76543	2.7
71.04986	0.7
74.26758	0.5
79.05485	2.1
81.07059	4.0
83.08619	1.6
86.63538	0.6
91.05477	2.0
93.07029	2.6
95.08595	3.4
103.05447	0.6
103.44328	0.6
105.07008	2.6
107.08588	2.3
109.10150	2.6
117.07005	0.7
119.08557	2.3
121.10127	2.3
123.08062	0.8
125.09625	0.6
131.08539	1.1
133.10118	0.8
135.08080	0.6
135.11694	1.3
137.05914	1.0
137.09639	0.7
145.10138	1.8
147.11679	1.5
147.43715	0.6
149.13278	0.8
157.10109	1.2
159.11757	0.7
161.09567	0.9
161.13326	0.6
171.11722	0.9
173.13200	0.7
175.14813	0.7
177.09189	0.6
183.11673	1.1
185.13225	0.8
189.99263	0.6
199.15158	0.5
200.08174	0.6
244.25372	0.6
250.63377	0.6
365.28400	0.6
383.24017	100.0
384.24356	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	383.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03579	6.1
53.03941	10.1
55.01864	10.2
55.05517	29.1
57.03435	14.8
61.02951	8.3
61.14618	5.7
67.05510	35.5
69.03433	51.0
69.07070	21.6
70.21206	18.7
71.04993	42.1
79.05476	31.0
81.03415	27.6
81.07053	100.0
83.04977	11.1
83.08636	9.5
85.02910	51.5
87.98293	6.0
91.05487	41.3
91.05975	6.4
93.07033	73.3
95.04967	31.7
95.08595	69.2
97.02908	33.5
97.06533	15.8
99.04453	10.8
103.03963	12.0
105.07023	76.5
107.04996	6.2
107.08602	68.9
109.06522	14.9
109.10137	54.6
111.04432	11.5
111.08086	7.7
117.07019	18.3
119.08582	69.9
119.12566	6.2
121.06525	9.4
121.10136	56.1
123.04430	8.8
123.08060	12.4
123.11707	19.9
125.09637	9.0
127.03872	11.0
127.11194	25.5
128.06241	9.4
129.07024	8.4
131.08560	31.7
133.10120	59.7
135.08070	11.7
135.11679	33.0
137.09621	17.5
137.13239	8.9
141.06909	8.3
142.07777	7.1
143.08565	21.4
144.09341	6.6
145.06450	9.0
145.10107	43.2
147.08015	6.9
147.11661	40.5
149.09627	7.0
149.13266	17.1
151.11232	11.6
155.08476	9.7
156.09358	8.2
157.10120	25.2
159.08061	9.4
159.11685	61.3
161.09587	7.9
161.13208	36.0
163.11255	6.7
163.14787	7.5
165.09039	5.5
165.12820	10.3
171.11728	23.2
173.13271	18.9
175.11209	9.5
175.14813	9.9
177.16321	7.5
183.11737	9.7
185.13290	9.2
187.11275	9.4
187.14879	7.3
189.12875	9.6
189.16388	31.7
191.14330	6.9
195.11821	6.7
197.13280	11.8
199.14861	8.0
201.12785	10.2
201.16443	18.7
203.17966	18.6
208.94666	5.7
211.14963	6.6
215.14349	6.0
215.17952	11.0
217.10751	9.6
219.17451	7.7
221.19160	7.9
225.16400	6.8
227.17856	7.9
233.08121	14.4
233.18956	10.7
243.13686	7.9
245.19023	14.0
259.16867	7.3
263.09164	16.6
279.15906	6.3
287.09174	6.3
299.20203	8.9
311.20023	10.9
329.21191	17.7
347.22070	8.5
365.23126	20.5
383.20053	44.9
383.24530	44.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.9
55.05506	17.0
57.03419	13.0
58.04525	3.3
61.02916	7.8
61.84914	3.1
65.00459	2.7
65.03922	3.1
65.85203	2.8
67.05492	23.8
69.03427	29.1
69.07067	16.4
69.77906	12.7
71.01359	3.8
71.04993	29.5
71.94044	3.5
73.02894	6.8
79.05488	22.2
79.05875	3.2
81.03413	22.7
81.07052	47.1
83.04978	7.8
83.08618	6.6
85.02914	25.8
85.06532	4.1
87.01144	3.5
91.05467	30.1
93.07041	37.9
95.04963	18.3
95.08598	43.8
97.02872	14.4
97.06532	8.9
97.10212	3.3
98.23309	3.4
103.03957	8.4
105.07029	44.0
107.04936	6.1
107.08584	39.3
109.02862	8.3
109.06528	9.8
109.10142	34.1
111.04437	7.7
111.08049	6.6
113.05982	4.1
115.05508	4.2
117.06985	10.5
119.08576	38.1
121.06499	12.6
121.10151	36.9
122.36671	3.4
123.04430	8.3
123.08047	9.7
123.11685	17.0
125.06010	3.1
125.09638	8.6
127.03918	4.3
127.11176	9.6
128.06238	5.9
129.07021	7.3
130.07698	3.8
131.08582	22.4
132.95200	3.0
133.06451	6.9
133.10120	35.0
135.08014	7.1
135.11717	23.2
137.05943	15.8
137.09645	8.8
137.13228	3.8
139.07518	5.6
141.07028	5.1
143.08556	7.3
145.06499	4.5
145.10150	24.5
146.06038	3.1
147.08040	7.6
147.11674	29.6
149.06017	3.6
149.09612	4.2
149.13228	10.6
151.03821	3.8
151.07468	5.5
151.11148	7.2
153.12723	9.0
153.20221	3.5
155.08566	6.4
156.09296	4.7
157.10049	16.5
159.08058	4.4
159.11696	23.6
161.05952	3.4
161.09590	8.7
161.13245	16.2
163.11179	7.8
165.09108	4.4
169.10046	5.5
170.23807	3.6
171.11650	10.0
173.09622	3.6
173.13251	10.8
175.07509	6.3
175.11168	4.0
175.14807	10.3
177.01776	3.8
177.09116	5.3
177.12726	6.4
177.16382	4.8
183.11681	5.5
185.13272	8.2
187.14777	9.2
189.12695	4.0
189.16423	11.3
193.08632	6.4
193.15813	4.9
197.07922	3.8
197.13310	3.6
201.09181	3.9
201.12697	6.3
201.16339	11.9
203.14189	4.0
203.17976	9.1
217.08553	8.5
217.10506	3.7
217.15837	4.7
218.05653	4.1
219.17461	3.5
221.08020	15.2
221.11649	4.1
221.15280	4.8
221.19099	5.3
225.12906	3.8
227.17928	4.0
231.10228	6.9
231.17464	5.5
233.08061	92.0
233.10199	6.6
233.18959	4.2
234.08676	18.1
244.07306	4.8
245.08058	10.5
245.19185	5.0
247.09694	6.4
257.18988	4.2
258.08954	4.2
259.09653	13.0
263.09106	77.7
264.09488	8.8
273.11130	12.0
287.09128	32.0
287.19971	5.3
288.09335	4.7
299.09061	7.6
301.10791	3.9
311.09119	5.1
317.10309	17.7
329.10150	12.1
329.21002	8.7
345.08237	3.2
347.11041	19.3
347.22235	7.3
365.13235	18.1
365.23352	10.4
383.14423	32.1
383.20309	100.0
383.24698	18.0
383.29129	6.0
384.15170	4.1
384.20569	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	383.279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87854	1.2
53.03934	4.7
55.01863	5.3
55.05508	45.4
56.14189	1.3
57.03170	2.2
57.03431	27.6
57.07084	7.1
65.03937	4.4
67.05501	97.1
67.15971	1.4
68.05800	1.9
69.03439	2.4
69.07064	61.8
69.21009	1.5
70.07417	1.6
71.04977	5.9
71.08623	2.2
71.33744	1.9
73.06533	2.2
77.03907	1.5
79.05492	64.2
80.05804	2.3
81.03409	1.4
81.07053	100.0
82.07367	2.0
83.04971	7.6
83.08615	30.9
85.06535	7.5
91.05476	42.8
93.07038	79.5
94.07410	1.9
95.04961	6.6
95.08603	69.2
96.08916	2.7
97.06519	14.3
97.10159	14.5
99.08075	5.5
100.80757	1.4
105.07032	30.5
107.04960	1.7
107.08590	46.6
108.08902	1.8
109.06493	4.3
109.10157	31.6
111.08098	7.3
111.11707	3.4
113.09635	2.2
115.07555	1.6
117.07011	5.3
119.08572	28.2
121.06552	2.0
121.10138	76.6
122.10474	3.8
123.08061	5.0
123.11686	8.6
125.09618	5.6
125.87863	1.5
129.06955	2.0
131.08568	13.3
133.10110	30.0
134.10442	1.2
135.08051	2.8
135.11685	55.8
136.12064	1.6
137.09581	11.6
137.13287	2.9
139.07504	1.3
139.11191	3.3
143.06952	2.0
143.08556	3.6
145.10109	12.9
147.11674	18.7
149.09596	3.7
149.13246	21.7
151.11171	8.8
153.12744	1.7
157.10088	3.8
159.11678	12.7
161.13246	14.9
163.11150	8.0
163.14775	4.1
165.12758	15.9
165.16312	1.7
167.10606	2.3
167.14259	2.1
170.00891	1.4
171.11655	5.1
173.13246	5.6
175.14781	7.4
177.12703	8.9
179.14316	5.0
181.12230	2.8
185.13248	3.4
187.14787	2.1
189.16382	1.9
191.14348	1.8
193.15942	2.6
195.13776	6.7
207.13802	1.6
213.16412	1.8
231.20915	3.1
235.17004	1.7
241.19533	8.1
249.22115	6.0
259.20560	14.0
277.21619	85.6
278.21954	7.6
289.43625	1.4
291.22998	1.7
295.22662	1.7
309.24213	5.9
342.16058	1.9
344.78510	1.3
351.25235	3.6
383.27914	57.3
384.28265	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	383.279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.7
55.01863	3.2
55.05508	48.7
57.03436	22.6
57.07084	10.8
59.04987	1.7
61.65843	1.8
63.57194	1.7
65.03944	3.2
67.05502	78.9
67.05860	4.1
69.03409	3.0
69.06703	3.3
69.07063	49.3
71.04983	6.5
71.08634	1.9
71.14756	2.9
71.15090	2.9
77.03932	2.3
79.05489	55.8
81.07053	99.6
82.07410	3.4
83.04976	8.0
83.08617	31.2
85.06539	6.4
91.05476	35.0
93.07040	68.4
94.07372	3.0
95.04961	6.1
95.08603	77.5
96.08974	3.8
97.06506	12.7
97.10155	13.0
99.08079	4.3
101.05986	2.9
105.07027	35.5
107.04937	2.0
107.08591	44.2
109.06486	4.4
109.10156	36.6
111.04429	3.3
111.08074	10.4
111.11710	3.1
117.07001	4.8
119.08566	31.5
120.08933	2.5
121.10134	71.5
123.08083	4.5
123.11692	9.1
125.09631	3.2
127.11185	2.1
129.05537	2.5
129.07030	1.6
131.08554	13.4
133.10110	29.7
135.11682	49.3
136.12022	3.0
137.09612	8.1
137.13286	3.9
138.09959	2.0
139.11165	3.3
143.08582	4.0
145.10115	12.6
147.11685	16.6
149.09639	4.8
149.13266	17.4
151.11201	7.1
153.12672	2.2
155.10574	1.9
157.10147	2.1
159.11745	13.4
161.13272	13.4
163.11160	7.7
163.14818	5.8
165.12746	11.9
171.11687	6.6
173.11929	2.2
173.13321	7.9
175.14815	8.6
177.12721	6.4
179.14250	4.0
181.12111	3.8
185.13300	5.8
187.14822	2.6
189.16367	3.6
191.17923	2.0
195.13812	6.4
199.14879	3.0
231.17418	1.9
231.21085	4.4
241.19487	7.1
249.22130	5.0
259.20538	14.6
277.21619	70.0
278.22043	7.8
305.19131	3.1
306.19751	2.1
307.16946	4.7
307.42410	1.9
309.24271	5.0
321.18469	20.5
321.22168	5.8
322.19104	5.2
323.09048	2.4
327.14203	2.6
337.21552	16.5
349.17953	3.4
350.18619	2.7
351.25174	6.0
365.21112	100.0
365.28363	4.0
366.21451	11.1
383.20392	60.7
383.27942	57.3
383.32199	2.5
384.20636	5.7
384.28333	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	383.352
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91910	8.4
55.05511	74.5
57.07067	50.7
67.05500	68.5
69.07062	100.0
69.62206	29.4
69.62621	13.6
71.04990	10.4
71.08625	21.4
79.05501	27.4
81.07053	97.5
83.08624	81.0
85.06532	9.7
85.10176	17.6
91.05492	27.0
93.07041	41.3
95.04961	22.7
95.08613	93.3
97.10181	77.1
102.78302	8.9
105.07039	41.4
107.08602	35.7
109.06518	19.9
109.10151	52.2
111.11744	34.5
113.09737	9.0
119.08604	30.1
121.10147	38.4
123.11670	13.0
125.13255	17.8
133.10110	42.8
135.11684	23.4
137.06006	14.0
137.13190	11.6
145.10077	14.3
147.11711	26.2
149.13268	11.5
151.14894	9.3
161.13213	21.6
165.12779	13.3
175.14821	21.2
189.05405	11.1
189.16415	14.8
235.07544	9.8
235.20592	12.3
323.09113	16.3
323.12714	19.7
329.32080	12.5
347.33179	20.7
376.45721	9.9
383.14557	9.2
383.25653	21.2
383.29553	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	385.0222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
55.01863	1.0
65.03932	2.8
67.01848	2.6
67.05492	1.0
68.99791	5.7
69.03413	1.8
69.64619	0.6
69.88162	0.6
70.66393	0.9
70.66730	1.2
74.65803	0.7
77.39050	0.6
79.01865	0.8
79.05494	1.2
81.03417	1.4
83.01323	0.9
89.03912	0.7
95.04957	1.0
97.02874	1.7
105.03381	1.0
107.04948	1.8
109.02859	1.3
111.00809	1.3
111.04433	2.2
115.05474	0.9
117.03339	0.8
121.02871	10.2
123.04426	33.9
127.03902	5.0
129.06963	1.8
133.02820	1.6
133.06453	0.9
135.04417	3.3
137.02322	2.1
139.03914	2.6
139.05403	0.9
141.07002	0.7
147.04388	1.9
149.02336	70.0
150.02794	2.8
151.03915	2.3
153.01823	100.0
154.02144	3.6
155.06097	0.7
157.06471	4.8
161.02333	2.1
161.05940	0.9
163.03859	1.0
163.07455	0.7
165.01862	3.9
167.03391	5.8
167.04814	1.3
167.07033	5.1
169.06577	0.8
171.02844	2.7
175.03912	1.7
175.07568	2.0
179.03409	1.8
183.02943	2.2
184.05214	1.7
185.05980	9.4
186.06340	0.7
189.05406	1.5
195.02875	6.1
197.06018	1.5
201.05490	2.0
202.06244	1.3
203.00105	8.2
203.03336	2.3
203.06940	1.2
205.47574	0.8
212.04671	1.2
213.05452	18.6
214.05769	0.8
217.04904	1.5
229.04979	1.9
230.05719	2.5
231.06514	56.0
231.10254	2.5
232.06918	3.5
241.04945	16.5
242.05464	1.3
254.60426	0.7
257.04529	0.8
258.05255	7.3
259.06012	39.5
260.06424	2.4
269.04449	1.5
282.08728	0.9
287.05490	21.7
288.05823	1.2
305.06543	1.4
311.02115	3.8
339.01685	28.4
340.01971	2.2
343.11768	2.2
352.99683	0.9
367.01199	10.1
368.01862	0.9
385.02161	6.8
385.14218	2.2
385.18179	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	385.0741
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63683	0.5
56.12670	0.5
56.96575	0.8
57.03432	1.3
69.34647	3.6
71.01367	0.6
72.60321	0.6
73.02915	1.4
83.05032	0.6
85.02917	3.0
89.46872	0.5
90.89960	0.5
91.63243	0.6
95.01339	1.3
97.02889	1.2
98.22670	0.8
98.97617	0.8
105.07027	1.1
107.04952	18.0
125.41914	0.5
133.06497	0.6
141.01816	1.8
145.24722	0.5
149.06013	0.6
153.05324	0.6
157.01140	0.7
159.02975	0.6
160.11259	1.4
161.06042	0.8
163.00032	0.9
178.12303	1.4
199.02176	1.2
205.04713	0.5
209.04225	16.2
209.08090	2.0
224.12840	2.5
251.05244	2.3
251.08966	0.6
297.87872	0.6
385.07373	100.0
385.14688	11.2
386.07706	6.4
386.12418	0.7
386.14493	0.7
403.05728	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0894
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01885	2.3
51.02121	2.5
51.82058	2.7
55.01857	4.3
56.96558	4.4
57.03431	9.0
63.51400	2.6
69.03426	5.2
69.99498	4.7
69.99923	8.5
70.06589	4.3
71.01352	4.5
73.02889	6.5
79.05472	3.0
81.03415	2.8
85.02896	24.0
87.04447	3.0
91.05485	3.2
95.01315	2.8
97.02898	8.4
98.97586	7.3
103.05473	7.5
105.07041	16.2
107.04949	97.9
111.60889	2.6
113.02330	3.4
116.98643	3.7
118.06519	4.1
120.08123	7.4
128.06224	3.1
128.98584	3.4
130.85522	3.0
131.04912	6.8
133.06480	2.7
134.99658	4.0
137.05977	3.7
141.01843	8.0
159.06490	3.1
160.11224	40.0
161.05972	7.8
163.07506	3.3
167.06947	3.1
177.00690	3.6
178.12288	41.0
191.07053	3.1
203.05263	4.5
206.11758	5.6
209.04190	5.4
209.08003	11.9
223.05797	5.3
224.12796	70.5
251.09265	3.6
292.07645	2.9
313.81351	2.8
385.06699	34.3
385.10745	8.4
385.14551	100.0
385.18567	33.0
386.07657	2.8
386.14325	12.3
386.18695	3.5
396.60260	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	385.0894
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	3.9
56.44131	3.0
57.03433	4.8
67.05519	3.6
69.03421	6.7
69.64407	16.1
71.01354	5.5
73.02925	3.9
81.03438	4.3
85.02907	20.2
91.05486	3.2
95.01356	4.7
95.04944	3.9
97.02913	6.0
103.05479	4.5
105.07039	10.2
107.04944	79.5
112.07545	3.3
113.02360	10.6
120.08126	5.4
131.04900	3.4
141.01840	9.0
160.11237	25.1
161.05971	5.5
169.05066	5.2
178.12247	19.3
206.11618	3.9
209.08131	10.6
223.05817	5.2
224.09254	3.8
224.12816	41.4
357.97397	3.5
385.09442	27.1
385.14575	100.0
385.18604	26.0
386.14413	12.0
386.18784	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	385.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09809	0.8
53.34479	0.8
57.03431	1.1
58.99877	1.2
69.03426	3.3
70.35435	1.7
70.35771	1.4
70.99849	0.9
81.03409	2.4
82.99863	3.9
85.02901	6.4
86.99321	1.4
94.99842	1.3
97.02888	7.1
98.97589	4.1
101.00873	36.5
102.00968	2.2
105.00352	1.5
105.07028	1.8
107.04948	2.9
109.02892	3.8
113.00880	6.7
114.01055	1.0
115.02428	1.3
116.98637	2.8
119.01920	64.9
120.02013	3.5
123.04452	2.0
127.02412	2.5
127.03901	1.2
131.01903	17.6
133.02847	1.3
133.06451	2.2
134.99626	1.0
137.00864	1.8
137.02948	8.7
143.01901	31.9
144.01999	1.4
145.03465	14.5
155.01888	19.7
155.03168	1.1
157.03464	9.9
159.01410	3.0
161.02953	100.0
161.05814	2.8
162.03104	5.4
163.04539	2.2
165.05426	1.5
166.01141	1.3
167.01860	5.1
169.03481	2.0
173.02959	26.7
175.04526	4.1
177.05472	3.7
179.01930	3.7
179.03999	2.7
181.03484	2.3
183.01530	1.4
184.02168	21.2
184.04601	1.6
185.02974	25.6
186.03130	1.4
187.04565	5.1
191.03993	2.3
193.08600	1.8
197.02942	30.0
197.04642	1.9
198.03146	2.4
199.04408	1.2
202.03192	5.9
203.03998	19.5
207.01424	2.7
208.02185	13.2
209.02824	2.6
210.03670	1.4
211.04532	1.6
213.02650	1.1
215.04002	5.1
220.02141	1.9
221.03096	1.9
221.05078	5.3
222.03645	1.2
223.04553	4.0
224.01701	1.1
225.02351	1.4
226.03189	11.0
227.03998	5.4
228.04265	1.1
232.02151	4.7
233.02765	1.2
233.04956	1.6
235.04466	4.3
238.03189	3.3
239.03955	3.6
240.04738	3.6
241.05602	10.7
242.05972	1.0
244.02161	1.3
244.04320	2.9
245.05060	50.0
246.05286	3.9
247.04536	2.6
250.03227	18.0
251.03586	2.3
252.04813	1.6
253.05562	8.1
254.05960	1.0
259.04401	1.3
262.03278	6.0
263.03500	1.4
263.06104	13.3
265.05569	12.6
266.05804	1.4
268.04245	2.3
275.03830	1.1
277.05679	2.8
279.00540	1.3
280.04428	1.8
283.06610	13.9
284.06845	1.4
295.06665	3.7
307.06689	3.3
310.05286	19.2
311.05508	3.1
313.07718	2.7
325.07562	7.7
326.02411	1.2
326.08005	2.3
343.08862	7.5
344.03433	1.0
351.44168	1.1
385.09805	59.1
385.14291	2.2
386.10245	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46069	0.9
53.03936	2.3
55.01859	5.1
55.05503	1.6
56.96560	12.6
57.03431	2.0
58.36331	1.4
61.02909	1.4
65.04983	1.1
69.03425	3.5
69.50657	5.9
70.06590	1.7
71.01341	1.6
71.05009	1.3
73.02925	1.5
73.06540	4.2
74.75430	1.0
78.04706	1.4
79.05482	7.9
81.03416	1.9
83.01339	2.0
83.04964	2.0
84.96027	3.1
85.02888	7.9
87.04484	1.2
88.02235	1.3
89.06003	3.5
91.05476	5.2
95.01318	3.0
95.04965	3.5
97.02877	4.6
98.97582	10.4
102.81264	1.0
103.03835	1.0
103.05482	7.9
105.07025	59.9
106.07357	2.6
107.04955	25.2
108.05342	1.1
109.02867	2.6
110.97572	3.2
111.04429	1.8
113.02332	2.7
115.03953	1.1
115.05437	16.5
116.98617	7.3
117.07023	4.5
118.04159	3.8
119.04955	2.4
121.02866	1.5
123.04440	7.2
127.03854	2.7
128.98633	6.3
131.00194	1.4
131.04849	5.3
132.05641	1.3
133.06491	59.2
134.06827	2.2
134.99684	2.1
136.06201	1.5
138.05450	1.4
139.03865	2.0
140.04681	3.9
141.01808	3.2
143.04997	2.4
143.06059	4.2
145.06453	6.3
146.99640	3.5
147.04367	2.8
152.98584	2.5
155.07033	4.4
157.06448	2.8
159.04428	2.3
160.05153	1.4
161.05974	100.0
162.06332	5.8
163.07472	1.8
167.00156	1.7
167.05753	0.9
167.07028	24.3
170.99652	4.9
172.05263	1.5
173.05978	4.8
175.03938	2.5
175.07494	2.7
181.04971	1.9
183.06497	2.9
185.01192	2.9
185.05878	1.8
189.00697	4.6
189.05438	2.8
190.02625	1.4
190.06271	2.9
191.07022	2.8
192.07608	1.5
193.08597	60.4
194.08878	2.2
197.06015	1.2
201.05476	4.1
203.02336	2.6
203.07111	2.8
205.08582	7.0
207.01732	1.7
207.06494	8.3
209.08095	3.8
210.99139	2.8
217.08708	1.1
219.01813	2.5
219.06479	4.5
221.08122	2.3
223.05968	1.8
229.00197	18.3
229.04919	3.7
231.06543	4.1
233.04445	6.0
233.08101	4.6
234.08830	1.3
235.06056	1.5
235.09601	2.1
237.02873	2.7
239.02316	1.4
247.01242	4.5
247.06161	1.7
247.09612	1.5
249.07513	3.2
251.09171	24.9
253.00168	1.3
261.07559	11.4
263.09097	2.4
265.00223	1.9
266.07758	1.3
271.01285	4.5
275.05347	1.2
275.09161	2.8
279.08578	2.7
283.01270	3.3
287.97110	1.2
289.07013	1.6
293.10114	3.4
307.08008	3.8
319.08041	1.7
325.02390	1.2
343.07874	1.2
367.10391	2.4
385.07309	10.5
385.14905	25.0
386.14554	2.7
403.05417	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	385.1279
Annotation	4'-Demethyldeoxypodophyllotoxin
Peak:m/z	Relative Intensity
53.03930	0.5
55.01858	1.8
55.05496	0.7
57.03424	0.5
60.19909	0.4
65.03924	1.4
67.05495	1.8
69.07061	0.7
69.58367	1.1
69.58781	1.9
79.05487	2.0
80.71012	0.4
81.03403	0.7
81.07051	1.7
81.61618	0.5
85.02892	0.7
91.05475	2.1
92.40188	0.4
93.03383	1.0
93.07029	1.2
95.04955	1.2
95.08593	1.7
105.07021	1.4
107.04971	1.3
107.08566	0.8
109.10125	0.5
110.03633	1.1
111.04432	1.9
115.05451	1.9
117.06972	0.4
119.08578	0.6
121.02830	1.2
121.06532	0.9
121.10117	0.9
123.04427	0.6
123.08082	0.8
123.11705	0.8
125.05997	2.0
125.09545	0.5
128.06233	1.3
129.06963	0.9
131.04948	1.1
132.05598	0.7
133.06476	0.7
135.04459	0.5
137.05965	1.2
141.06985	0.6
143.04901	0.6
145.06505	0.9
147.04384	0.6
147.46568	0.6
149.02356	0.7
151.03886	2.0
152.06198	1.3
153.05472	2.7
153.06915	0.9
155.08505	0.8
157.06535	0.7
159.04356	0.6
159.08070	0.7
161.06018	1.0
165.06989	4.5
165.09132	0.6
166.07756	1.5
167.07016	1.7
167.08578	1.5
168.05705	0.6
170.07205	0.6
175.07538	1.2
177.05511	0.9
177.07033	0.9
177.09045	0.4
178.07727	3.5
179.03464	0.6
179.07095	0.6
179.08508	2.8
180.09288	0.7
181.05011	0.7
181.06470	1.8
182.07188	0.9
183.08038	1.1
185.05994	0.9
186.06674	0.5
187.07489	0.6
189.06981	2.0
190.07724	2.0
191.07092	0.7
191.08562	3.8
192.05521	0.4
192.09216	0.7
193.04924	0.9
193.06502	2.3
193.08340	0.4
193.10201	0.5
194.07248	2.5
195.08008	3.6
196.05118	0.5
196.08792	0.7
197.05971	0.8
197.09615	0.7
198.06680	0.9
199.07643	1.2
202.07784	1.4
203.08543	1.6
205.06493	3.3
205.10194	0.5
206.07278	2.2
207.08058	4.7
208.05188	0.5
208.08746	2.5
209.06003	1.8
209.09607	1.6
210.06769	1.1
211.07530	3.8
212.08221	0.5
213.09065	0.7
215.08681	0.5
217.06479	0.5
218.07233	2.6
219.08037	5.8
220.05194	0.8
220.08644	2.2
221.06004	3.5
221.09605	1.9
222.06757	3.0
223.07489	4.1
223.11125	0.8
224.08264	2.9
225.05493	1.3
225.09109	2.7
226.06215	0.8
226.09792	0.7
227.07037	1.3
230.07132	0.6
231.08041	1.8
231.10085	0.6
232.08789	0.8
233.05980	1.4
233.09599	1.0
234.06744	2.8
235.07541	8.2
235.11102	0.6
236.04654	0.7
236.08281	3.4
237.05457	1.2
237.09056	3.9
238.06218	1.9
238.09729	0.8
239.06963	2.7
239.10622	1.1
240.07655	0.9
241.08502	1.5
245.05887	0.7
246.06737	1.2
247.07484	4.1
248.08264	2.1
249.05505	1.6
249.09035	4.1
250.06403	2.3
250.09790	2.2
251.06972	5.4
251.10657	1.2
252.07739	2.7
253.08659	4.1
254.09245	1.6
255.10126	1.1
257.08054	0.6
259.07440	0.9
261.05551	0.6
261.09094	2.1
262.06259	1.0
263.07019	5.1
263.10709	1.0
264.07800	3.8
265.08582	6.1
266.05750	0.8
266.09225	1.8
267.06522	1.6
267.10144	4.4
268.07132	0.7
268.10910	0.5
269.08017	1.2
269.11832	0.8
271.09665	0.7
274.06232	0.8
275.07056	2.0
276.07724	1.9
277.08582	4.5
278.09290	2.8
279.06473	1.6
279.10138	5.5
280.07266	1.7
280.10635	0.8
281.08069	5.0
282.08929	2.7
283.09622	0.9
289.08508	1.0
291.06479	1.3
291.09888	1.0
292.07257	1.8
292.10739	0.6
293.08029	2.1
293.11728	1.4
293.21057	1.6
294.08804	1.2
295.09586	4.7
296.10321	0.6
297.11172	1.5
298.11652	0.6
299.09308	0.8
305.08017	1.0
307.09601	25.8
308.10046	2.9
309.07474	1.2
309.11203	4.0
310.08286	1.1
310.11792	0.8
311.09052	1.2
311.12589	0.8
313.10715	1.7
321.11212	0.7
323.09094	6.3
323.12567	0.9
324.09729	1.8
325.10648	4.5
326.11148	0.7
327.12338	0.6
337.10669	1.9
338.11411	1.0
339.12305	3.3
353.10217	0.7
355.11749	2.0
357.13275	2.4
367.11636	1.4
385.12759	100.0
386.13120	9.6
386.18195	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.128
Annotation	4'-Demethyldeoxypodophyllotoxin
Peak:m/z	Relative Intensity
53.03943	0.8
55.01864	1.9
55.05511	0.7
56.23793	0.4
57.03423	0.5
60.46009	0.4
65.03944	2.6
67.05495	1.6
68.99766	0.5
69.07063	0.7
71.01898	1.0
71.08591	0.4
78.04716	0.5
79.05485	1.1
81.03389	0.6
81.07037	1.2
82.04209	0.6
83.04995	0.4
83.08610	0.6
85.02904	0.8
87.19567	0.4
91.05472	2.2
93.03419	0.4
93.07067	0.8
94.04214	0.6
95.01308	0.9
95.04952	1.0
100.11268	1.4
103.05442	0.8
105.03398	0.6
105.07054	1.2
107.04962	1.5
107.08625	0.5
109.06599	0.5
109.10161	0.6
110.03651	1.7
111.04462	2.5
115.05466	1.7
117.07024	0.5
119.08587	0.6
121.02855	1.0
121.06531	0.6
121.10088	0.4
123.04367	0.7
125.05962	2.1
128.06195	0.6
129.07036	1.1
131.04938	1.0
135.04385	0.7
137.05975	4.0
143.04956	0.8
143.08517	0.5
145.06497	1.5
145.10190	0.5
147.04446	0.6
148.05156	0.5
149.02345	1.1
151.03900	5.8
151.04991	1.0
151.07481	0.5
152.06213	1.2
153.05463	2.9
153.06874	0.9
156.13876	0.9
159.08025	0.8
161.05957	0.9
163.07567	0.5
165.05576	0.9
165.07022	4.1
166.07715	0.6
167.07034	1.6
167.08484	1.1
168.05675	0.8
169.06288	0.4
170.10786	0.4
175.07555	1.2
177.05501	0.7
177.07016	1.2
178.07809	3.8
179.08539	3.1
180.09209	0.9
181.04970	1.4
181.06509	2.5
181.10033	0.6
182.07214	0.6
183.08063	0.9
184.17020	0.6
185.06006	0.8
187.07516	0.6
189.06979	2.2
190.07729	2.6
191.08531	3.1
192.05626	0.6
193.04909	0.7
193.06491	1.6
194.07294	3.3
195.08052	3.0
196.08681	0.4
197.05946	1.4
197.09645	0.7
198.06831	0.6
199.07558	1.3
201.05414	0.8
202.07747	1.3
203.08540	1.9
205.06534	3.9
206.07353	2.3
207.06306	0.8
207.08049	4.9
208.05212	1.0
208.08754	2.0
209.06009	1.4
209.09601	1.8
210.06798	1.1
211.07535	3.2
212.08165	0.7
213.05559	0.5
215.08728	0.6
217.06491	0.6
218.07205	3.2
219.08064	5.3
220.08839	2.2
221.05997	4.7
221.09601	1.7
222.06792	3.5
223.07561	3.2
224.08356	2.3
225.05414	0.7
225.09068	2.6
226.06216	0.7
226.09843	0.5
227.06996	0.8
231.08250	0.8
231.10187	0.7
232.08711	1.3
233.05949	1.2
233.09579	1.7
234.06737	2.6
235.07547	8.4
236.04631	1.0
236.08232	4.2
237.05415	1.1
237.09053	3.7
238.06209	1.6
238.09808	1.1
239.07019	3.0
239.10616	1.5
240.07680	1.5
241.08588	1.2
245.06064	0.6
246.06676	1.5
247.07545	4.6
248.08266	2.4
249.05431	2.2
249.09048	4.1
250.06204	2.0
250.09807	2.1
251.06990	5.3
251.10696	1.8
252.07683	3.1
253.08636	3.7
254.09293	1.6
255.06471	0.5
255.10146	1.6
260.08286	0.9
261.05563	0.5
261.09082	2.1
262.06256	1.1
262.09604	0.8
263.07022	4.4
263.10287	0.8
264.07797	3.7
265.05502	0.8
265.08551	8.2
266.05933	0.6
266.09219	1.5
267.06564	1.7
267.10147	4.1
268.07324	0.8
268.10834	0.8
269.08078	1.2
269.11673	0.8
274.06241	0.9
275.07050	1.5
276.07874	1.9
277.08566	3.9
278.06036	0.5
278.09204	2.8
279.06540	1.6
279.10159	5.0
280.07260	1.3
280.10693	1.2
281.08105	4.1
281.11249	0.8
282.08798	2.0
283.09619	1.9
284.10349	0.6
285.10904	0.5
289.08575	0.5
291.06470	0.5
291.10016	0.9
292.07294	1.3
293.08044	1.9
293.11325	0.8
294.08743	1.4
295.09598	4.9
296.10361	1.1
297.11246	1.5
299.08957	0.7
305.07956	1.1
306.08871	0.5
307.09628	24.4
308.07089	0.6
308.10056	2.9
309.07739	1.0
309.11240	3.9
310.08304	1.5
311.09009	1.5
311.12415	0.5
313.10687	1.3
321.07666	0.5
321.11288	0.8
322.08466	0.6
323.09122	6.9
324.09738	1.3
325.10684	4.7
325.14340	0.7
326.11014	0.8
329.13904	1.1
335.09058	0.8
337.10690	1.6
338.11279	0.5
339.12079	2.3
353.10214	1.0
354.11044	0.5
355.11819	1.8
356.12534	0.7
357.13284	4.4
367.11664	1.7
370.10272	0.5
384.32162	0.6
385.12769	100.0
385.25497	2.3
386.08539	0.8
386.13123	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	385.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48717	0.4
53.03946	0.5
56.08056	0.4
65.03911	0.5
65.64790	0.4
67.01853	0.5
68.99769	0.8
69.33559	2.9
69.58276	0.4
78.04699	0.5
79.05119	0.3
79.05499	3.1
81.07024	0.6
85.02909	0.5
91.05479	0.9
92.39191	0.4
95.04916	0.8
100.91820	0.4
106.04147	0.6
107.04942	6.8
111.04401	0.5
121.02840	1.1
123.04420	5.9
124.05225	0.7
125.05960	0.5
127.03918	0.6
129.07005	0.4
130.44644	0.4
132.14145	0.4
137.05928	1.0
141.06969	0.8
145.06464	0.6
147.04410	0.8
149.01199	0.8
149.02325	10.8
149.06047	0.4
151.03851	0.7
151.07379	0.5
152.04626	1.0
153.01819	14.4
157.06415	0.9
161.02303	0.6
165.01799	0.5
167.03354	0.8
167.07031	17.3
168.07329	0.5
170.07249	3.7
171.02907	0.9
171.04282	0.6
175.03941	0.5
179.03363	0.5
181.08585	0.6
184.05186	0.5
185.05937	1.4
195.02855	1.3
198.06696	1.1
201.05295	0.5
203.00003	1.2
213.05463	2.1
214.05917	0.5
216.07797	1.4
218.07222	0.9
221.06078	0.6
223.09361	1.4
231.06525	9.2
231.10115	6.5
233.09534	1.2
235.07478	1.0
241.04961	2.2
249.09094	0.6
250.09665	0.6
258.05145	0.6
259.05960	5.3
261.09061	1.4
262.06235	0.5
262.09723	0.4
264.07623	0.5
265.12552	0.6
267.06390	2.2
275.06931	0.5
277.08585	0.7
278.09259	1.7
279.09854	0.5
282.08871	3.5
283.09311	0.5
287.05484	3.3
293.11636	1.3
295.09106	0.6
295.11960	0.6
309.11365	0.5
310.08231	1.6
310.11618	0.9
311.02106	0.6
315.08603	0.7
321.11145	1.7
323.08939	0.9
325.12378	4.1
328.09369	1.0
330.11026	0.6
336.83588	0.5
339.01721	4.2
339.12195	0.7
340.02060	0.5
343.11716	6.1
353.10025	0.5
353.13821	2.8
354.14172	0.5
355.11612	0.7
357.13211	0.6
367.01004	1.0
383.50058	0.5
385.14597	100.0
386.14972	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	385.1468
Annotation	Asp Asn His
Peak:m/z	Relative Intensity
52.23503	0.4
53.23229	0.5
65.81849	0.4
67.05495	0.5
67.95651	0.4
70.06584	0.5
71.34013	0.5
79.05489	0.6
91.05469	1.6
93.50401	0.5
96.18921	0.4
96.73278	0.5
105.07049	0.8
107.04950	1.2
117.06975	0.5
118.39599	0.4
119.04938	1.1
121.06447	0.5
123.04418	1.3
128.06210	0.8
129.07016	1.0
131.04895	0.9
133.26279	0.5
137.05942	2.5
145.54881	0.5
147.04445	0.6
147.08080	0.7
149.02364	1.1
149.05963	0.8
151.07535	2.1
153.01845	1.4
157.06499	0.6
158.03650	0.5
159.08070	0.6
161.02243	0.6
161.05977	8.3
161.09621	1.4
162.06720	0.8
163.07545	0.9
165.05568	0.5
167.07059	1.1
169.04980	0.5
175.07533	2.4
185.05914	0.9
189.09113	3.2
195.08060	0.5
201.05437	0.5
201.09087	0.6
207.10124	2.8
213.09210	0.7
219.08009	0.7
231.06425	0.8
231.10214	1.1
241.82753	0.4
266.06549	0.5
295.11646	0.8
303.04877	1.0
311.12823	2.2
323.12717	2.0
325.12576	3.2
326.13235	0.5
337.14471	0.7
341.13669	0.7
367.14490	0.9
382.46246	0.5
385.14639	100.0
386.15118	8.6
389.47739	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.4
55.05516	1.5
57.74266	1.1
57.79055	1.1
59.05001	2.6
67.05516	2.1
69.07058	2.4
71.04992	2.2
77.08485	1.1
77.14641	1.3
78.74324	1.2
79.05492	4.2
81.07069	1.8
88.00541	1.3
91.05502	3.9
93.07061	3.6
95.05000	2.2
95.08613	2.5
97.06566	1.1
101.67416	1.2
106.49189	1.3
107.04934	6.2
117.07028	1.6
119.08595	1.8
123.04414	2.1
124.05211	2.2
125.05999	1.3
125.98545	1.1
128.06194	1.6
128.80249	1.4
132.05669	1.4
133.06552	1.5
135.04430	1.2
137.05994	3.6
141.06990	1.8
147.08116	1.4
149.06024	2.3
151.03934	2.2
153.05450	1.8
161.06018	1.7
167.07037	16.1
170.07245	13.5
170.08418	1.4
175.07570	1.7
181.05061	2.1
181.08681	1.6
181.69650	1.1
187.07553	1.4
193.08563	2.9
198.06926	3.4
204.07578	6.4
216.07890	5.6
222.06631	1.5
231.10132	27.1
231.12263	1.6
232.10666	1.7
233.09471	1.4
234.06909	1.6
235.07593	3.3
236.08253	1.6
247.07553	1.4
249.09142	2.2
250.10008	2.6
251.06926	1.8
261.09131	3.8
263.07181	2.9
264.08011	1.5
265.08679	3.2
267.06635	1.4
270.89114	1.3
277.08582	2.2
278.09348	8.0
279.10126	2.4
281.08014	1.2
282.08798	2.7
283.09641	1.5
293.11697	5.0
295.09836	1.6
305.08322	1.5
307.09741	4.0
310.08444	2.1
321.11163	7.5
323.09137	2.3
324.09851	1.6
325.10602	2.7
325.14413	2.2
339.12027	1.7
343.11835	3.6
353.10193	2.6
353.14185	3.1
354.14459	1.3
355.11627	3.0
357.13333	2.2
367.11591	1.4
367.15762	2.1
370.13876	1.9
385.16357	100.0
385.29141	14.6
386.16699	9.8
392.85452	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.5
55.01866	4.2
55.05505	11.7
57.07059	3.6
58.02663	3.4
65.03919	5.7
67.05499	15.8
69.07053	11.2
71.04992	4.4
78.25071	4.0
79.05508	18.2
81.07063	26.8
83.04971	5.5
83.08640	7.6
85.06536	5.0
85.44260	3.9
85.52354	3.3
91.05472	31.5
92.06242	3.8
93.07037	20.1
95.04973	10.3
95.08611	21.1
97.06504	3.4
102.04679	9.9
103.05462	56.4
105.03387	6.2
105.07018	24.9
107.04945	13.3
107.08615	13.3
109.06489	6.3
109.10157	11.0
115.05463	6.4
117.07027	6.7
119.04931	9.9
119.08575	18.9
120.05727	6.5
121.06516	7.3
121.10141	20.4
123.08098	3.5
123.11697	5.7
124.05218	9.5
125.05966	5.5
125.63474	3.9
129.06953	4.5
131.04878	21.2
131.08519	4.9
133.02824	7.4
133.06491	4.0
133.10132	8.9
135.08104	8.2
135.11685	8.6
137.06010	5.1
137.09616	4.0
141.06976	3.5
145.06451	3.8
145.10098	8.6
146.03574	4.3
147.04356	5.6
148.05173	60.3
149.02342	10.2
149.13277	3.6
153.05493	6.7
159.08018	4.9
159.11700	7.6
161.13228	4.4
163.07558	45.1
165.09048	4.3
167.07065	20.9
170.07176	3.9
171.08211	4.3
173.06081	5.3
181.06482	3.3
181.07239	3.8
181.08594	29.1
188.08429	8.9
189.16335	5.3
191.07014	100.0
191.08412	4.0
191.10663	6.5
192.07458	7.9
193.04971	6.8
193.08585	13.0
195.10168	11.5
201.05417	8.9
201.16443	3.9
203.07050	4.8
205.08517	4.5
207.08060	7.2
211.07626	5.5
214.01315	3.9
217.08508	15.4
218.07236	5.9
219.08031	5.5
221.09688	4.3
222.10399	5.5
227.12570	4.7
228.96684	3.8
231.10013	17.7
232.08806	5.5
232.10899	14.5
233.09622	16.8
234.06635	6.2
235.07562	18.4
236.08376	6.5
245.13948	6.3
247.07584	4.6
247.11273	4.9
248.08522	5.2
249.09183	7.3
250.09897	13.0
260.08310	7.0
261.09052	17.1
261.37552	4.0
262.09845	4.5
263.06979	15.8
265.12234	9.7
267.10086	6.6
277.08685	7.6
278.09232	29.8
279.10037	10.2
280.07294	3.9
282.12369	6.2
285.11200	5.2
292.07495	6.4
292.10971	6.3
293.11774	39.4
295.09668	12.0
307.09601	11.0
310.11853	10.3
321.11136	26.1
322.11707	4.9
323.09171	13.1
325.14413	23.1
326.14798	4.1
327.12305	4.1
338.11407	7.8
343.11749	4.3
353.09894	6.0
353.13846	63.5
354.14261	9.8
355.11804	5.1
357.16730	4.7
370.14087	5.8
385.08932	7.0
385.16400	97.3
385.26901	7.1
386.16718	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	385.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.3
55.01857	1.4
55.05498	0.5
57.03436	3.4
59.04987	0.6
61.02928	3.4
65.03957	0.5
67.05485	1.6
67.06058	0.4
69.03430	13.6
69.06599	0.9
69.07003	3.0
70.06590	1.4
70.25392	0.4
71.04979	1.3
73.02910	1.0
79.05480	1.6
81.03421	4.6
81.07043	0.9
83.01341	0.5
83.04966	1.2
85.02905	29.2
86.03179	0.5
87.04433	0.8
91.03948	1.3
91.05478	2.8
93.07035	1.8
95.04968	2.2
95.08616	1.3
97.02264	0.6
97.02890	10.3
97.06511	1.0
99.04462	2.3
102.98090	0.4
105.07027	4.9
107.04974	1.0
107.08596	2.5
109.02869	2.5
109.06503	1.8
109.10143	1.7
111.04428	0.7
113.17376	0.4
117.07034	1.1
119.08586	3.6
121.06502	5.7
121.10116	2.1
123.04405	1.2
123.08068	1.4
127.03906	5.6
128.06230	1.7
129.07047	0.8
129.09998	0.4
131.08562	1.6
133.06506	0.9
133.10139	6.1
135.04327	0.6
135.08067	5.3
135.11646	0.6
137.05962	0.8
137.09610	7.7
139.03891	0.5
141.06969	0.5
143.08577	4.1
144.09392	0.9
145.04958	5.6
145.06194	0.6
145.06454	0.5
145.10120	1.5
146.07275	1.8
147.04416	0.6
147.08096	2.1
147.11662	1.2
149.09616	1.9
151.11139	1.0
157.10115	0.6
158.07275	0.6
159.08051	1.2
159.11707	2.8
161.09607	7.7
163.06212	0.5
163.07533	10.0
163.11191	5.8
164.11571	0.6
165.05571	0.5
165.09108	1.5
167.07033	0.8
172.08836	0.9
175.11163	1.3
177.05519	0.6
177.12766	0.8
179.10666	27.3
180.11024	1.1
187.11209	1.6
205.12239	45.1
206.12566	2.7
223.13286	100.0
224.13632	5.7
233.08038	1.0
235.08575	0.7
263.09323	0.5
265.09738	0.9
287.99362	0.5
341.15652	1.2
343.61850	0.5
367.12473	0.6
385.13681	1.4
385.18335	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	385.2736
Annotation	Variecolactone
Peak:m/z	Relative Intensity
53.03933	3.4
53.11937	1.4
55.01837	1.6
55.05521	9.1
57.07079	9.5
59.04991	2.3
61.09506	1.4
62.70057	1.6
67.05499	23.4
69.03416	3.7
69.07072	14.3
69.37812	1.5
71.04976	3.0
71.32187	2.1
79.05487	19.3
81.06635	2.4
81.07059	34.3
83.04971	2.1
83.08588	5.7
85.06519	4.1
87.04414	1.6
91.05478	14.2
93.07046	40.6
95.04934	3.9
95.08606	22.2
97.06512	6.3
97.10157	3.3
99.08053	3.3
105.06465	1.9
105.07032	21.3
106.07327	1.9
107.04958	3.0
107.08589	40.0
109.06510	2.7
109.10169	12.7
111.08034	4.6
117.07007	2.8
119.08591	11.6
121.06454	2.6
121.10149	34.6
123.08030	7.4
123.11707	11.3
125.05917	2.7
125.09596	6.4
129.06987	2.1
131.08528	4.6
133.09325	1.6
133.10126	16.8
135.08026	5.1
135.11688	78.2
136.12044	2.4
137.05939	2.3
137.09561	4.7
137.13231	3.4
139.07492	4.1
139.11131	4.6
143.08560	2.1
145.10075	6.5
147.07994	2.1
147.11694	8.2
149.09622	10.1
149.13263	3.7
151.11176	67.4
152.11487	4.1
157.10103	3.4
159.11632	3.1
161.09615	9.2
161.13237	5.0
163.11154	5.6
163.14760	2.6
165.12654	5.2
167.10641	10.6
171.11713	2.2
173.13290	2.7
175.11156	4.7
175.14851	1.7
177.09082	6.9
178.13013	1.7
179.10689	8.6
179.14252	2.2
181.12206	2.7
185.09589	2.0
185.13210	3.1
189.12718	2.2
189.16411	2.7
191.10690	2.4
191.17877	3.5
193.12207	7.7
195.10146	12.4
201.12666	2.4
203.14342	3.8
203.17918	5.6
205.12195	1.6
207.13693	2.5
209.11595	2.3
221.11523	1.8
221.15334	6.0
226.09984	1.5
231.13725	2.8
235.16934	3.7
245.18900	1.7
249.14856	100.0
250.15150	4.2
251.16423	29.1
252.16463	2.3
263.16418	14.0
265.17963	2.9
269.11600	2.4
297.11160	9.2
303.19470	5.4
315.12195	3.6
315.19257	1.8
329.21036	7.2
367.15146	2.6
367.26047	2.3
385.16486	17.3
385.27209	77.1
386.27722	9.2
386.39584	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00314	2.7
51.08396	3.2
55.01876	5.2
55.05513	61.6
57.03434	21.9
57.07075	36.7
67.05151	4.7
67.05501	66.7
69.07068	94.5
71.04959	5.2
71.08631	23.6
76.08014	2.8
79.05485	32.3
81.07056	100.0
83.04981	3.9
83.08123	3.3
83.08620	68.4
83.09099	6.8
85.06551	4.8
85.10181	10.8
85.81606	3.5
91.05460	10.7
93.07041	51.5
95.08601	96.5
95.62832	3.2
97.06525	24.6
97.10160	44.0
99.08088	4.9
101.90798	2.9
105.07010	11.9
107.08591	42.5
109.10154	38.2
111.08107	16.3
111.11717	12.6
119.08580	12.9
121.10136	47.7
123.11727	19.7
125.09629	13.8
129.09149	5.7
131.08528	7.5
133.10178	7.0
135.11682	34.4
136.11887	3.6
137.13277	10.1
139.11177	10.2
147.11681	10.4
149.13272	25.4
151.14825	7.5
153.12727	9.6
159.11731	4.6
161.13298	8.2
163.14810	16.2
165.12764	6.5
167.14395	4.3
171.15872	3.6
175.14809	4.4
177.16365	11.5
191.18004	4.6
203.85965	3.0
218.72139	3.0
221.97531	2.7
232.53351	3.4
233.22672	32.4
243.21033	5.6
251.23766	31.2
261.22150	14.8
279.23215	15.1
283.26367	6.0
293.28271	3.2
297.24173	4.9
315.25269	43.0
329.26886	43.5
330.27051	3.8
353.26886	4.2
385.29532	92.6
386.29562	10.7
386.40009	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	385.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.7
55.05255	3.4
55.05510	65.0
57.03441	27.1
57.06811	2.9
57.07076	44.6
59.04998	2.9
61.43587	2.6
65.46797	2.2
67.05503	72.0
69.03413	2.3
69.07065	100.0
69.09698	15.0
69.10110	4.2
71.04977	7.8
71.08630	22.2
73.06535	3.6
79.05486	38.6
81.07053	96.1
82.07355	3.3
83.04946	6.4
83.08619	71.0
85.06557	3.6
85.10181	13.8
87.04446	2.4
91.05463	10.2
93.07040	50.4
95.04933	2.5
95.08602	95.3
96.08893	3.0
97.06535	31.1
97.10159	49.3
99.08078	3.8
105.07027	11.6
107.04870	2.1
107.08589	43.8
109.10155	53.5
110.10443	2.7
111.08058	15.5
111.11701	15.0
115.07553	4.1
119.08558	8.0
121.10142	55.3
122.10472	3.4
123.08107	2.1
123.11703	18.6
125.09633	12.7
125.13255	3.3
127.11183	2.2
128.51637	2.2
129.09099	4.2
129.15491	2.0
131.08545	3.3
133.10106	7.9
135.10753	3.1
135.11688	40.1
137.13225	11.7
139.11201	14.0
143.10634	2.2
145.10132	4.5
147.11649	7.1
149.13261	25.8
150.66443	2.1
151.14796	7.9
153.12724	12.1
157.12218	5.2
159.11696	3.6
161.13220	6.6
163.14828	17.0
165.12740	4.1
167.14311	4.6
171.13768	3.5
173.13309	2.5
177.16374	9.8
179.14224	4.1
181.15829	7.0
185.15436	3.4
187.14825	3.3
191.17955	4.0
195.17421	2.2
223.16922	2.1
233.22632	35.6
234.22961	3.5
243.21059	4.2
251.23718	35.3
252.23967	3.4
261.22147	12.9
267.36639	2.4
279.23169	25.6
283.26266	9.7
297.24234	5.6
315.25287	40.1
329.23291	3.8
329.26895	44.9
330.27036	3.6
353.06744	4.0
353.26819	6.8
385.29401	91.1
386.29788	8.6
386.39874	3.9
400.22925	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	385.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30459	1.9
53.03944	3.7
55.01868	2.9
55.05502	19.3
57.07071	8.0
61.28784	2.1
65.03952	3.5
67.05157	3.7
67.05499	35.7
67.05825	3.3
69.03412	2.8
69.07068	35.4
69.27067	4.3
69.27482	12.0
71.04986	14.8
77.03898	2.1
79.05486	23.6
81.07053	67.6
83.04971	3.9
83.08617	16.8
85.06540	92.4
86.06870	2.7
91.05476	29.6
92.05808	2.4
93.07043	51.9
95.04951	6.1
95.08602	97.8
97.06528	6.9
97.10191	6.4
103.05456	5.9
105.07021	39.5
107.04972	6.0
107.08589	69.9
108.05727	2.5
108.08905	2.2
109.06516	6.8
109.10159	48.5
110.10494	2.2
111.08109	3.5
111.11687	3.4
115.05528	2.1
117.07030	5.1
119.08569	29.9
120.08904	2.1
121.06521	5.2
121.10141	53.8
122.10477	2.4
123.08110	6.2
123.11702	26.7
125.09624	6.3
129.07018	2.4
131.04953	3.3
131.08600	10.9
133.06503	5.0
133.10114	25.9
134.07265	2.3
135.04407	6.2
135.08051	7.4
135.11691	37.2
136.05202	11.5
137.05968	4.1
137.13252	10.1
139.11200	2.2
141.06952	2.4
142.07779	3.7
143.08556	5.8
145.06511	2.7
145.10088	13.1
147.08047	3.4
147.11703	22.6
148.05159	4.7
149.02473	2.3
149.05988	5.6
149.09711	2.8
149.13229	23.1
150.06770	13.6
151.03897	20.6
151.07535	63.6
151.14867	3.4
152.07835	4.4
155.08572	2.6
157.06564	2.4
157.10112	6.2
159.08055	8.5
159.11671	14.1
161.05989	3.1
161.13307	15.4
161.14471	3.0
163.07521	5.4
163.11159	6.2
163.14790	15.1
164.08379	5.4
165.05470	28.9
165.09094	34.4
166.06252	37.1
171.08066	5.6
171.11736	4.5
173.09584	4.7
173.13266	7.3
175.07561	3.7
175.14868	14.8
177.16383	12.9
179.07042	2.3
179.10654	2.8
180.07811	31.5
181.08571	51.4
182.09018	2.8
186.10385	22.4
187.07486	15.3
187.10980	3.9
187.14822	7.0
188.08061	3.3
189.09135	3.5
189.16393	13.4
191.07062	4.7
191.17932	49.2
192.18233	3.2
193.15851	11.5
195.10152	100.0
195.17384	3.1
196.10524	5.6
201.09154	4.3
201.16364	6.8
202.09879	45.1
203.10422	4.2
203.17920	14.1
205.19502	5.7
209.11737	5.2
215.07027	2.3
215.17950	3.4
216.11469	9.6
217.08881	3.8
217.12221	92.5
217.19458	17.6
218.12611	4.5
229.14384	8.9
229.19551	4.9
231.21092	2.1
232.10922	5.7
243.21054	4.4
245.13887	6.0
247.13370	13.3
254.09241	2.5
257.22656	7.0
269.11765	4.5
297.11243	10.5
315.12177	4.9
367.15421	4.5
367.29745	2.5
385.15793	14.3
385.20496	15.2
385.23907	3.8
385.30850	42.2
385.34750	33.4
386.20367	3.6
386.31122	6.0
386.35318	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	386.1595
Annotation	Papaverrubine F
Peak:m/z	Relative Intensity
53.03962	0.4
54.03468	0.6
55.01871	0.4
55.04247	0.8
58.06585	0.3
68.99796	1.2
69.61236	0.3
69.83012	0.9
69.83424	0.6
70.06590	100.0
70.17813	0.3
71.06313	0.3
71.06917	1.8
78.12395	0.3
79.05481	0.4
81.07069	0.7
85.02896	0.6
91.05484	1.2
93.07047	1.1
95.04974	0.5
97.26202	0.2
98.23309	0.4
103.05477	0.6
105.07023	0.3
107.04980	0.9
109.06533	0.5
119.04921	2.0
121.06490	2.4
123.04424	11.7
124.04823	0.4
131.04933	0.5
135.04404	2.4
137.05981	0.4
147.04401	7.2
149.05966	6.0
159.04431	0.7
161.06013	0.8
165.05472	3.7
167.07137	0.4
175.07552	0.5
177.05466	59.0
178.05807	3.2
189.05492	0.3
207.06496	1.2
216.22476	0.3
219.06604	0.3
234.11253	3.5
235.11708	0.3
279.00653	0.3
294.73672	0.3
329.10184	11.3
330.10593	1.0
386.15955	35.5
387.16284	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02502	0.5
53.03936	1.2
53.87708	0.5
55.01862	3.6
55.05501	1.1
57.03436	2.4
61.02910	1.6
67.28863	0.5
69.03430	3.8
69.07044	0.6
69.26901	4.0
73.02908	1.2
77.03898	0.6
79.05490	1.7
81.03410	2.0
81.07058	0.8
83.08620	1.2
85.02907	14.1
87.04475	0.5
91.05486	4.8
93.07043	3.0
97.02899	4.9
98.23292	1.1
99.04414	1.3
103.05473	3.1
105.07024	3.7
107.04946	2.2
109.02919	1.3
109.67337	0.5
115.05444	1.6
117.07002	1.1
119.04960	0.7
119.08588	2.3
119.95210	0.5
121.06509	6.0
123.04389	2.6
127.03916	2.6
128.06224	1.7
131.04919	0.9
132.05710	0.8
133.06493	5.3
133.10074	0.8
137.05959	2.3
143.08563	1.4
145.04939	5.1
145.06029	0.5
145.06468	0.5
146.07251	0.8
147.08040	32.8
148.08392	1.3
149.05974	29.2
150.06789	2.5
151.03870	1.1
151.07440	0.6
159.08159	0.6
161.06023	3.5
161.09613	12.5
162.09978	0.6
167.06909	0.5
171.08076	0.6
174.06790	1.2
179.07019	1.8
180.08713	2.7
181.05020	1.0
189.09099	100.0
190.09465	6.5
207.10159	30.1
208.10500	2.1
237.65732	0.5
258.55676	0.5
267.12695	0.5
295.72916	0.6
386.13046	0.5
386.29538	0.7
387.14142	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32048	8.0
53.76957	8.0
57.03426	18.8
58.96675	7.7
60.01774	6.6
60.54950	7.5
60.68182	6.1
67.17906	6.9
71.04981	77.1
76.19931	6.8
81.03393	8.4
83.04985	9.7
85.02913	100.0
109.02852	11.6
121.98827	7.5
129.05496	36.4
147.03410	7.7
147.06528	18.8
151.03876	62.0
157.29453	9.0
167.07013	22.2
170.52765	7.6
225.07536	28.0
263.76810	7.7
309.84641	7.8
358.49976	7.5
369.44385	8.1
386.14429	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	386.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53651	1.3
53.03951	1.7
55.01870	6.5
57.03440	15.6
61.02923	13.7
69.03431	33.6
69.20515	13.2
69.68708	1.5
71.01361	3.8
73.02917	67.5
81.03426	6.5
85.02902	100.0
87.04477	3.7
91.03974	4.6
97.02894	53.1
98.23320	3.4
99.04479	2.7
101.04137	1.6
103.03973	4.6
109.02884	8.0
115.03928	25.4
127.03922	32.6
133.04968	42.8
145.04950	50.8
163.06038	27.9
167.06982	1.7
181.56618	1.7
223.06110	5.3
237.13275	2.5
241.07117	5.7
259.08142	6.7
295.10165	2.7
315.10669	1.7
337.09021	1.7
361.18835	1.7
387.11777	2.3
387.16254	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.5
55.01860	2.1
55.05514	11.1
57.03427	1.4
57.07074	14.2
61.02918	2.7
65.03922	1.5
67.05486	1.8
69.03410	9.6
70.06583	2.3
70.50030	4.0
71.04999	2.3
73.02877	1.7
73.04722	1.3
73.06544	1.8
74.56517	1.3
79.05475	3.5
81.03418	4.8
81.07059	2.0
83.08621	5.8
85.02902	23.9
89.06027	81.9
90.06360	1.6
91.05466	5.0
93.07025	3.3
95.04977	11.2
95.08624	1.3
97.02894	8.0
97.06533	2.9
99.04474	1.8
101.09662	15.8
105.06998	3.7
107.04974	2.4
107.07042	2.7
107.08575	3.9
109.02847	1.8
109.06548	2.5
111.04424	2.1
111.55474	1.4
112.13377	1.4
119.04975	1.6
119.10686	1.6
121.06545	2.3
123.04469	2.4
123.08086	4.4
125.09603	1.7
127.03903	4.4
133.08597	26.9
133.10127	2.4
137.05963	7.1
145.04961	2.5
145.12230	15.5
149.05957	1.9
149.09683	1.8
151.03949	3.2
151.07610	2.8
151.09642	31.3
153.05426	2.1
161.06020	2.0
161.09576	2.8
163.07623	1.8
165.05469	1.3
165.09097	4.5
167.07057	3.7
175.07480	1.9
177.05423	2.1
181.04990	3.2
191.10626	1.5
203.07137	1.8
205.08582	2.4
207.06410	1.6
207.13979	3.6
207.15904	100.0
208.16252	5.2
211.07440	1.5
217.08510	1.6
223.06041	1.5
224.13426	1.8
225.11096	1.4
233.08054	1.7
235.07608	1.7
249.14795	7.0
257.08038	1.5
351.18188	1.6
369.13055	2.1
386.14529	2.7
387.14343	4.7
387.19824	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	386.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96106	1.1
53.55681	0.9
55.05252	1.7
55.05507	26.1
57.07072	18.7
58.06588	3.3
67.05493	4.0
69.07065	35.4
69.41302	6.3
71.08624	8.5
79.05499	2.6
81.07064	6.5
83.08617	26.1
85.06548	1.0
85.10174	5.2
87.04461	1.3
91.05466	1.3
93.07041	2.4
95.08575	5.3
97.10159	26.7
98.22675	1.9
102.05541	14.3
104.07098	100.0
105.07558	1.2
107.05003	1.5
107.08566	2.8
109.10143	3.2
111.11721	12.6
119.08600	1.4
119.59745	0.9
121.10124	3.5
123.04488	1.0
123.11716	1.8
125.13293	4.7
126.98387	1.0
133.10130	1.4
135.11711	2.6
139.14835	1.6
141.61314	1.0
145.10112	1.2
149.13242	1.2
163.14755	1.7
167.07010	1.9
177.16296	1.1
179.59161	1.0
181.05002	1.2
181.15897	2.5
183.11644	1.2
187.14861	0.9
195.06590	1.5
205.17767	1.0
247.24213	2.9
265.25259	9.9
285.11270	2.1
329.77216	1.1
368.31577	12.4
369.09695	1.5
369.20554	5.7
386.39871	4.1
387.29788	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	387.1433
Annotation	Magnolone
Peak:m/z	Relative Intensity
53.03939	0.5
55.01866	0.8
65.03934	1.4
67.05491	0.8
69.03420	1.3
69.07047	0.7
70.06583	2.0
70.29160	1.1
71.06929	0.5
72.08177	0.4
78.04677	0.3
79.05476	1.4
81.03407	1.0
81.07047	1.6
83.04969	0.5
85.02908	1.8
85.06540	0.5
86.09694	0.4
91.05460	1.8
93.07024	0.9
94.04185	3.3
95.04970	1.0
95.08611	0.8
97.02909	0.7
97.06522	0.7
99.04453	0.4
100.45167	0.3
103.05457	0.7
105.07026	0.9
107.04945	1.3
107.08575	0.9
108.02122	0.5
109.02854	0.5
109.06459	0.6
109.10189	0.6
111.04354	0.4
113.10609	0.3
115.05452	2.3
117.07046	1.8
119.08564	1.2
121.06479	0.4
121.10162	1.2
122.03643	8.3
123.04407	1.0
123.08010	0.4
125.06013	0.4
127.03927	0.9
131.04868	0.4
133.10092	0.7
135.04428	0.4
135.08015	0.4
137.05971	100.0
138.06293	3.1
143.04929	3.4
145.06450	2.2
147.08072	0.6
149.09613	0.5
151.03943	2.5
151.07498	0.9
153.05414	0.5
155.06038	1.1
161.09569	0.5
163.07498	0.5
163.11174	0.8
165.05409	0.3
165.09085	1.2
167.07043	10.4
171.06625	0.6
173.05972	2.9
175.07486	0.7
177.05487	1.0
181.04948	12.5
182.05258	0.6
189.12756	0.4
191.06931	0.5
192.07756	0.3
203.06975	1.3
205.05042	0.4
205.08530	1.9
207.10335	0.4
207.13777	1.6
225.11237	0.4
225.14838	1.3
233.08017	1.3
234.08531	0.4
235.09682	2.4
236.09384	0.5
237.09042	0.4
249.08969	0.4
251.71725	0.3
265.09445	0.4
267.10373	0.5
293.07971	0.5
330.10770	0.4
343.08304	0.4
345.18604	0.3
357.13297	10.5
358.13672	1.0
369.13443	1.0
387.14410	23.5
387.19894	3.3
388.14771	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51996	0.8
53.03946	1.9
55.01876	9.6
55.05508	2.3
65.03943	6.5
66.85780	0.8
67.05500	5.2
67.79164	0.9
69.03428	1.1
69.07073	2.2
69.55811	4.6
75.05131	0.7
78.04713	2.1
79.05492	7.5
80.06285	1.1
81.03420	1.2
81.07061	3.7
82.04202	1.2
83.08640	1.2
85.02891	3.3
91.05478	70.6
92.05799	2.4
93.03416	2.2
93.07054	5.5
94.04140	1.3
95.04975	8.1
95.08611	3.2
97.06539	1.6
98.23387	1.5
103.05450	5.6
105.03394	1.3
105.04503	0.8
105.07024	8.9
106.04185	2.0
107.04959	5.5
107.08612	2.9
108.05765	3.2
109.02885	3.4
109.06527	2.3
109.10162	2.0
110.03622	0.9
111.04447	1.2
115.05453	1.7
118.04175	3.8
119.04937	36.6
119.08559	2.4
121.02856	3.2
121.06509	9.1
121.10148	3.2
122.03625	1.4
123.04401	1.8
123.08074	2.7
123.11737	1.1
124.05208	13.4
125.05966	2.2
129.06996	1.2
131.04942	2.2
131.08554	1.8
132.05791	0.8
133.02834	1.4
133.06476	4.6
133.10136	1.4
134.03600	5.3
135.04425	3.0
135.08058	1.9
135.11765	0.9
136.05194	17.6
137.05983	14.2
139.07533	3.4
142.02626	1.2
143.01892	0.8
145.06410	1.1
145.10085	1.6
146.03639	1.9
147.04405	21.6
147.11690	1.4
148.05188	7.4
149.05986	20.6
149.13307	1.0
151.03906	50.0
151.04956	3.7
151.07533	72.2
152.04311	1.9
152.07927	2.2
153.09119	1.4
159.08023	1.0
159.33574	0.8
161.06018	2.0
162.03140	1.6
163.03865	2.3
163.07532	6.5
164.04703	7.3
165.05470	10.4
165.06783	1.2
165.09169	1.8
167.07057	3.5
171.11690	1.0
173.06078	1.1
175.03914	1.2
175.07565	1.4
176.04665	1.1
177.05489	5.5
177.09222	1.1
178.09875	1.7
179.03487	2.3
179.07025	35.1
180.07808	46.5
181.04953	28.8
181.08434	2.8
182.05148	1.5
187.07524	1.0
189.12930	1.1
191.07036	6.7
193.08585	1.3
195.06557	8.3
203.10539	1.0
207.06516	100.0
208.06923	4.9
209.08104	10.5
217.08727	0.8
219.10272	1.8
235.07655	0.9
235.09621	4.3
320.82993	0.9
356.63458	0.8
357.13330	1.0
387.14130	3.2
387.18207	1.8
387.25555	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1437
Annotation	(-)-(3S,4R,6S)-3-(3',4'-Methylenedioxy-alpha-hydroxybenzyl)-4-(3'',4''-dimethoxybenzyl)butyrolactone
Peak:m/z	Relative Intensity
53.03933	0.8
55.01860	1.8
55.05498	1.8
57.03446	0.5
65.03943	2.8
66.04726	0.4
67.05503	3.8
69.03416	0.9
69.07058	1.8
69.90808	1.6
79.05491	5.2
81.03410	1.4
81.07058	4.4
83.08600	1.5
85.02895	2.1
85.06548	0.9
91.05478	6.3
93.03362	0.5
93.07028	4.1
94.04187	3.1
95.01340	0.6
95.04961	2.4
95.08597	3.5
97.06526	1.8
97.10201	0.8
103.05467	10.9
105.03402	0.7
105.04577	0.5
105.07038	5.2
107.04954	4.7
107.08585	2.9
108.02086	1.2
109.02895	0.5
109.06513	1.8
109.10148	1.6
110.03675	0.7
111.04445	1.7
111.08089	0.7
115.05463	2.6
117.07014	3.1
118.04171	2.6
119.04945	2.0
119.08578	2.7
121.06503	2.0
121.10178	2.2
122.03644	8.6
122.06891	0.5
122.62408	0.5
123.04443	1.0
123.08063	1.0
124.05218	0.9
125.05988	0.9
125.09634	0.5
129.06987	1.5
130.04155	0.7
131.04935	10.1
131.08563	1.8
133.02882	1.2
133.06477	2.7
133.10146	2.7
134.03613	1.0
135.04398	0.5
135.08052	1.8
135.11707	1.6
136.01445	0.5
137.05972	100.0
137.09612	1.4
138.06290	2.9
139.07478	0.7
141.05443	0.8
142.02596	0.9
143.04906	3.4
143.08554	0.9
144.05656	0.6
145.06473	3.1
145.10117	2.1
146.03712	0.5
147.04404	1.4
147.08060	1.0
147.11673	1.4
148.05191	6.9
149.05943	1.7
149.09602	1.2
151.03905	38.5
151.04985	3.0
151.07535	4.5
151.11153	0.9
152.04395	1.1
153.05429	0.8
155.06035	0.8
157.06509	0.7
157.10104	0.6
158.07176	0.5
159.08040	1.1
159.11699	1.3
161.06023	1.4
161.13295	0.9
163.07538	15.7
163.11159	0.7
164.08195	1.4
165.05495	1.9
165.09131	1.5
167.07036	11.0
167.08392	0.5
171.06573	0.7
171.11707	0.7
173.05986	4.3
173.09567	1.4
175.07576	3.1
176.04713	1.3
177.05521	1.4
177.09071	0.9
177.12863	0.7
179.07069	1.6
179.10721	0.7
180.07813	0.9
181.04945	25.6
182.05356	1.1
187.07550	0.7
187.11290	0.6
189.05476	0.6
189.09010	0.7
191.07030	37.5
191.17876	0.7
192.07385	1.1
193.08620	1.1
195.06526	6.4
200.01537	0.6
203.07065	2.4
203.18192	0.5
205.08546	3.2
205.12164	3.1
206.09227	0.5
207.06532	1.1
207.10136	1.1
209.08160	1.4
211.15118	0.5
219.06473	0.7
219.10176	0.7
233.08105	2.3
235.09633	3.3
237.09126	0.5
239.10779	0.8
241.14268	1.0
249.09203	0.6
249.18474	0.5
263.09171	1.0
265.08664	0.8
281.11859	0.6
293.08258	0.8
313.10843	1.6
314.11063	0.5
315.12302	0.9
325.10492	0.8
327.08682	0.7
327.12387	0.8
351.12170	1.1
355.11673	2.0
357.13321	10.9
358.13632	1.1
369.13321	1.1
369.24243	1.2
371.20648	1.1
387.14349	27.0
388.14709	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	387.1436
Annotation	(-)-5'-Demethylyatein
Peak:m/z	Relative Intensity
53.03946	1.5
55.01872	3.2
55.05511	5.4
65.03928	1.2
67.05488	1.8
69.07066	10.5
71.06242	1.1
72.51545	0.6
73.06538	1.4
75.04447	0.6
75.33425	0.7
78.04694	0.7
79.05495	6.0
79.20578	0.6
81.03388	0.9
81.07050	2.3
83.08607	3.0
91.05458	3.3
93.03421	1.2
93.07025	1.1
94.04152	1.3
95.01373	0.7
95.04961	2.3
97.06526	3.3
97.10172	5.8
103.05470	1.7
105.07014	1.7
106.61810	0.6
107.04945	6.3
107.08588	1.6
110.03687	1.7
111.04411	1.3
115.05486	1.4
115.07602	1.3
117.07018	1.3
119.04961	0.9
121.02863	0.8
121.06496	1.9
122.03642	1.3
123.04422	2.1
124.05194	1.4
125.06026	3.6
125.09638	4.8
131.04916	2.9
132.05699	0.7
135.04367	1.5
135.08061	0.9
137.05965	17.5
143.07011	6.8
143.08069	0.7
143.08589	0.7
145.06483	1.8
145.10085	1.3
147.04417	1.9
147.07983	1.0
149.05991	1.9
151.03893	2.3
152.04642	0.8
153.05441	2.4
153.06847	0.7
155.04904	1.0
155.08490	0.8
158.07231	1.6
160.05162	1.0
161.05981	1.1
161.08101	2.0
163.03897	1.0
163.07518	1.5
165.05583	1.3
165.06990	3.0
165.09134	1.0
166.06195	0.9
166.07735	1.0
167.07036	16.2
167.08391	0.8
168.89828	0.6
169.06502	0.9
173.05942	1.1
173.09647	2.9
175.07536	2.1
177.05511	3.3
177.06891	1.1
178.07816	2.3
179.08585	1.9
181.04944	4.3
181.06477	2.2
181.08585	5.5
182.07260	1.1
183.08031	1.1
185.06032	0.8
187.07545	1.5
189.07005	1.4
189.09184	0.6
189.09538	0.6
189.11189	3.5
190.07726	1.0
191.05370	0.7
191.07013	3.0
191.08484	1.5
193.06520	1.1
193.08473	0.7
194.07248	3.8
195.06554	1.5
195.08052	2.6
197.05989	0.8
199.07411	0.7
201.07275	0.8
201.09108	3.5
202.07814	1.7
203.06955	1.7
203.08620	1.5
205.06503	3.0
205.08333	0.7
206.07243	2.8
207.08012	2.8
208.08807	0.9
209.06030	1.3
209.09610	2.3
210.06721	1.5
211.07512	3.0
212.08145	1.2
213.16371	0.8
215.07018	1.8
218.07210	1.8
219.08028	2.9
220.08812	1.5
221.06113	3.3
221.09564	1.9
222.06740	5.8
223.07590	3.6
223.11185	0.7
224.08304	2.4
225.09065	2.2
227.06966	1.7
227.12732	2.0
228.07794	1.1
231.08084	2.2
233.05946	1.6
233.11754	2.0
234.06737	2.8
235.07573	4.5
236.08269	1.6
237.05510	1.3
237.09073	4.0
238.06181	1.8
238.09766	1.5
239.06984	2.7
239.10680	1.5
240.07820	3.8
241.08365	1.8
246.06833	1.0
247.07523	2.1
248.08266	1.4
249.05362	1.0
249.09018	3.4
250.04080	0.7
250.06181	3.7
251.06956	3.4
251.10707	1.0
252.07773	2.8
253.08598	2.7
254.09274	1.3
255.10323	1.2
259.07544	1.1
262.06265	1.8
263.07022	3.0
263.10648	0.8
264.07794	3.1
265.08588	23.1
266.09381	5.9
267.06564	1.8
267.09998	1.7
268.07199	2.6
269.07999	2.1
269.11609	2.1
270.08762	1.0
275.06836	0.8
276.07755	1.6
277.08612	2.7
278.09329	1.3
279.06448	2.1
279.10132	3.1
280.07227	2.1
281.08084	4.6
281.11630	2.1
282.08698	1.8
283.09692	3.6
284.10239	0.9
285.11258	0.7
287.07053	1.1
290.09323	1.0
291.10001	3.1
293.08026	2.7
293.11295	1.1
294.08759	1.9
295.09659	2.6
296.10318	2.3
297.07877	0.9
297.11212	2.0
298.08359	1.3
299.09225	0.9
299.12857	0.8
304.07034	1.0
305.08130	4.4
306.08966	0.8
307.09683	3.4
308.10413	1.1
309.07837	0.8
309.11142	18.1
310.11505	1.7
311.09293	1.4
311.12625	2.1
313.10825	1.1
314.11340	0.9
315.12247	1.4
319.09616	2.8
321.07602	0.9
323.09106	1.1
323.12637	1.2
324.09659	1.2
325.10507	3.6
326.11359	1.5
327.12277	2.7
337.10696	8.0
338.11237	1.1
339.12244	3.1
341.10089	1.1
341.13870	2.2
343.11749	1.7
351.12155	3.4
355.11487	1.0
357.13306	3.9
359.14883	1.4
369.13281	3.9
387.14328	100.0
388.14688	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	387.1437
Annotation	Magnolone
Peak:m/z	Relative Intensity
53.03933	0.9
55.01863	0.7
55.05494	0.4
65.03945	1.1
66.04712	0.5
67.05521	1.3
69.03447	1.5
69.07066	0.4
71.04980	0.4
71.32986	0.5
77.03946	0.3
78.04710	0.5
78.64703	0.2
79.05489	3.0
81.03417	2.5
81.07043	1.6
82.04185	0.4
83.04961	0.6
85.02890	1.6
91.05473	2.8
93.03403	0.3
93.07027	0.7
94.04179	3.4
95.04976	0.9
95.08576	0.3
97.02880	0.5
97.06535	1.0
97.35854	0.2
99.04469	0.6
103.05495	0.5
105.07006	1.2
106.04166	0.5
107.04940	3.2
107.08582	0.5
108.02078	0.5
109.02869	0.9
109.06497	0.9
109.10170	2.1
110.03648	0.4
111.04443	0.7
115.05457	2.6
115.41082	0.2
117.07009	2.4
119.08579	1.0
121.06476	0.8
122.03640	8.5
123.04471	1.3
123.07947	0.3
124.05218	0.4
125.05975	1.0
127.03934	0.3
128.06175	0.5
129.06996	0.5
131.04959	0.8
131.08618	0.3
132.05658	0.3
133.02853	0.3
133.06470	0.5
133.10120	1.0
137.05966	100.0
137.09514	2.5
138.03120	0.3
138.06302	4.0
139.03922	0.3
142.02631	0.4
143.04913	5.9
143.07021	0.2
143.08557	1.0
144.05569	0.2
145.06471	3.7
145.10168	0.6
147.08047	1.5
149.05887	0.3
151.03902	5.5
151.04996	0.4
151.07544	0.3
152.04625	0.3
153.05438	0.7
155.05975	1.4
155.08524	0.3
158.07275	0.3
160.05290	0.3
161.05966	0.4
161.09601	4.8
163.07559	0.3
165.05508	0.3
165.09087	3.9
166.06277	0.3
167.07025	20.7
168.07333	0.8
171.06604	0.5
173.04514	0.5
173.05940	3.9
173.09666	0.6
175.07504	1.5
177.05457	0.6
179.07083	0.2
179.10612	0.5
181.04948	11.8
181.08492	1.9
182.05209	0.5
185.05867	0.2
189.05373	0.4
189.09094	0.7
190.09465	0.3
191.06992	0.7
193.08675	0.3
197.11646	0.3
201.05408	0.4
201.09125	1.2
203.06982	3.1
203.08624	0.3
205.04919	0.4
205.08549	2.9
207.10124	1.2
217.04906	0.4
225.11186	0.4
233.05858	0.4
233.08022	2.5
233.11604	0.6
235.07539	0.5
235.09651	1.9
247.07516	0.2
248.08334	0.3
249.09099	0.4
261.16599	0.3
263.06903	0.4
265.08521	0.5
269.34659	0.2
277.08582	0.4
279.09955	0.3
282.08685	0.3
293.07944	0.2
295.09689	0.4
307.09579	0.4
309.11011	0.3
325.10776	0.4
337.10571	0.4
355.11597	0.8
357.13287	11.6
358.13586	1.1
359.15082	0.2
369.15509	0.8
387.14310	23.8
388.14709	1.9
399.65521	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1436
Annotation	(-)-(3S,4R,6S)-3-(3',4'-Methylenedioxy-alpha-hydroxybenzyl)-4-(3'',4''-dimethoxybenzyl)butyrolactone
Peak:m/z	Relative Intensity
51.02373	0.4
53.03943	1.1
55.01878	2.3
55.05509	4.3
56.79541	0.4
65.03940	2.6
66.04697	0.7
67.05491	1.8
69.03407	0.6
69.07063	2.0
79.05479	3.0
81.03407	0.6
81.07060	1.0
82.04212	0.5
83.08619	6.9
85.02887	1.8
86.01292	0.4
91.05486	3.8
93.03361	1.0
93.07028	0.9
94.04182	3.4
95.04971	1.8
97.06526	1.2
103.05466	13.2
105.03427	0.7
105.07045	2.0
106.04156	0.7
107.04968	4.2
108.02109	0.9
109.06492	0.7
109.10178	0.5
110.03641	0.6
111.08067	2.2
115.05457	3.4
117.06998	2.9
118.04147	3.5
119.04934	1.5
119.08570	0.7
120.05759	0.4
121.06515	1.8
122.03638	8.1
123.04420	1.3
124.05273	1.0
125.05995	1.1
129.07040	0.4
130.04140	1.3
131.04926	11.8
132.05693	1.2
133.02837	1.5
133.06471	1.8
133.70200	0.4
134.03656	0.6
135.08078	0.8
137.05971	100.0
138.03136	0.8
138.06299	3.0
139.07483	0.6
141.05429	0.7
143.04903	2.9
145.06471	2.8
145.10150	1.1
146.03604	0.7
147.04395	0.9
147.08017	0.7
148.05177	8.0
149.05922	1.1
151.03906	29.9
151.05003	2.7
152.04356	1.2
153.05441	1.0
155.06006	0.6
155.08527	0.5
157.06400	0.5
157.08617	1.0
158.07277	1.1
159.04356	0.6
159.08008	0.7
160.05171	0.8
161.05968	1.4
163.07538	11.5
164.07933	0.6
165.05479	1.1
167.07025	16.4
171.06607	1.0
173.05971	4.4
173.09656	1.3
175.07564	2.1
175.09682	3.7
176.04790	0.9
177.05481	1.0
179.07051	0.6
181.04961	25.6
181.08479	3.2
182.05359	1.0
187.07573	0.8
191.07024	38.9
192.07385	1.7
193.08551	1.3
194.07205	0.4
195.06508	1.1
201.09152	2.2
203.07031	3.3
203.08681	0.6
204.07878	0.4
205.06512	1.1
205.08589	2.4
207.10159	0.5
209.08104	1.5
213.11119	0.9
215.07042	0.6
219.08179	0.7
231.08109	0.4
233.08051	2.1
233.11798	1.8
234.06686	0.6
235.07516	0.8
235.09561	2.4
247.07616	0.9
247.82487	0.4
249.09047	0.9
250.06708	0.5
252.66550	0.5
259.07532	0.6
261.05399	0.5
276.07892	1.0
277.08597	1.1
279.10046	0.6
281.07657	0.5
291.10178	1.0
293.08017	0.9
294.08820	0.5
295.09717	0.8
297.11224	0.6
305.08057	1.5
307.09604	0.6
309.11234	1.0
319.09662	1.2
325.10611	0.6
327.12244	0.7
337.10721	2.7
338.11237	0.6
339.12289	0.8
341.13657	0.6
351.12271	1.6
355.11807	1.7
357.13330	10.8
358.13531	0.9
369.13525	1.3
369.18933	0.5
387.14374	22.2
387.19254	0.9
388.14627	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1436
Annotation	(-)-(3S,4R,6S)-3-(3',4'-Methylenedioxy-alpha-hydroxybenzyl)-4-(3'',4''-dimethoxybenzyl)butyrolactone
Peak:m/z	Relative Intensity
52.61568	0.4
53.03936	1.2
55.01870	1.3
58.08314	0.5
65.03945	2.5
66.04713	0.5
67.05490	1.9
69.03428	0.5
69.07053	0.7
73.44951	0.4
78.04688	0.4
79.05483	3.3
81.03423	0.6
81.07032	1.3
82.04173	0.4
85.02905	1.0
91.05466	3.2
93.07026	0.8
94.04189	3.5
95.04956	1.6
97.06541	0.8
98.23328	0.9
103.05463	10.2
104.05756	0.4
105.03382	1.1
105.07031	1.8
106.04119	0.4
107.04954	3.1
108.02100	1.2
108.98920	0.4
109.06540	0.7
110.03649	1.3
111.04435	0.5
115.05422	2.7
117.07017	1.6
118.04166	2.8
119.04937	1.0
121.06493	0.9
121.10076	0.4
122.03635	8.0
123.04419	1.2
124.05178	0.4
125.06027	0.6
127.81274	0.4
129.07040	0.6
130.04143	0.9
131.04926	9.6
132.05646	1.0
133.02849	1.3
133.06470	1.6
134.03650	0.7
135.08017	0.5
137.05968	100.0
138.03142	0.6
138.06300	3.5
142.02640	0.6
143.04904	3.1
145.06479	2.9
146.03575	0.9
147.04404	0.8
147.08057	0.9
148.05182	6.2
149.05913	1.6
151.03903	26.3
151.04997	2.4
152.04236	0.6
153.05461	0.9
155.06004	0.8
160.05183	0.5
161.06017	1.5
163.07529	10.1
165.05553	0.9
165.09088	0.7
167.07034	13.7
171.06516	1.2
173.06007	3.5
175.07524	1.6
175.95844	0.4
176.04584	1.0
177.05519	0.6
181.04944	31.2
181.08539	1.5
182.05275	1.3
187.07507	0.6
190.06061	1.1
191.07016	35.3
192.07394	1.4
193.08630	0.8
195.06519	0.5
197.00966	0.4
201.09111	1.0
203.06960	3.0
205.06808	0.5
205.08583	2.3
209.08121	1.3
219.10052	0.7
233.08069	1.7
235.07635	0.6
235.09631	2.4
237.08942	0.6
247.07390	0.6
249.08830	0.5
263.06851	0.6
263.09344	0.5
264.07532	0.5
265.08630	0.8
277.08655	0.9
295.09515	0.8
305.07986	0.5
307.09415	0.5
309.11118	1.0
319.09781	0.8
325.10513	0.7
327.12115	0.6
337.10672	1.4
351.12210	1.1
355.11734	1.1
357.13306	11.4
358.13651	1.0
359.15067	0.4
369.13287	1.3
387.14304	26.0
388.14859	2.5
414.18347	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1434
Annotation	(-)-5-Methoxybalanophonin
Peak:m/z	Relative Intensity
50.26944	1.0
53.03947	1.1
53.93877	1.0
55.01878	6.8
55.05502	3.8
56.20058	1.0
61.62909	1.1
65.03922	4.4
67.05491	4.0
69.03407	1.8
69.07061	3.0
70.63425	2.0
70.63749	1.4
73.74699	1.3
79.05479	5.7
79.51875	1.1
81.07026	3.1
83.04980	1.3
83.08604	4.3
85.02892	1.1
91.05476	8.8
93.07027	2.8
95.04975	2.4
95.08543	1.4
97.06501	1.6
97.10124	2.0
103.05447	2.5
105.07006	5.0
107.04939	6.3
107.08598	2.3
109.10108	1.4
109.93836	1.1
111.04457	1.7
115.05431	4.5
116.06227	2.0
117.07001	2.0
119.04993	1.1
121.02849	5.4
121.06492	4.3
121.07299	1.1
121.10113	1.2
122.03664	1.6
123.04407	3.0
125.05992	1.7
125.09576	1.8
128.06198	2.0
129.06993	4.8
130.99992	1.3
131.04909	3.9
131.08539	3.8
133.02837	1.3
133.06448	1.4
135.08043	2.4
137.05968	17.4
138.03134	1.9
141.06958	1.2
144.05702	4.3
145.06456	4.1
145.10078	2.4
146.07268	3.2
147.04398	2.1
147.07945	1.4
148.05251	1.2
149.02357	2.7
149.05983	1.5
151.03888	4.2
151.07549	1.3
152.06187	1.2
153.05493	1.6
156.52670	1.2
158.07216	2.2
159.08044	6.0
161.05977	3.0
161.09601	34.3
162.09972	1.9
163.07520	2.3
165.06967	4.0
167.07027	20.5
167.08446	1.9
167.70901	1.2
168.07401	1.2
171.06520	1.7
172.05220	1.7
173.09558	5.1
175.07513	1.9
177.05441	1.4
177.09196	1.4
178.07787	2.7
179.07079	1.4
181.04956	28.6
181.06470	3.3
181.08557	10.0
181.10066	1.7
182.05316	1.9
185.05923	1.3
187.07535	3.9
191.07025	2.6
191.08591	2.6
194.07257	2.2
195.06514	1.3
195.08076	5.0
195.10007	1.2
197.05904	2.6
197.09641	1.3
198.06766	1.7
199.07588	2.1
200.04677	1.3
201.09053	5.6
202.07829	2.0
203.06903	1.3
203.08626	2.7
205.06516	2.9
206.07265	3.0
207.07983	3.2
208.08855	1.5
209.05946	3.0
210.06750	4.8
211.07516	3.6
215.07022	18.0
219.08028	5.5
220.08743	2.8
221.09631	9.2
222.06798	2.3
223.07574	5.8
224.08267	5.9
225.05478	1.5
225.09114	2.7
227.07031	4.6
231.08060	3.8
233.08018	1.9
233.11775	5.3
234.06754	5.1
235.07497	5.3
236.04666	1.5
236.08328	1.6
237.05417	5.8
237.09073	5.5
238.06281	2.6
238.09827	4.3
239.07001	4.3
240.07764	4.5
241.08240	1.4
242.05731	3.0
247.07506	1.4
248.08260	3.4
249.09117	10.4
250.06274	1.5
250.09824	1.9
251.06979	9.3
251.10609	2.1
252.07813	14.3
253.04895	1.2
253.05797	1.7
253.08580	19.5
253.12183	3.3
255.06523	7.6
255.10265	1.8
257.08102	8.2
259.07489	1.4
262.06119	1.5
263.07025	4.3
263.10806	1.5
264.07779	1.9
265.05399	1.2
265.08563	5.3
266.05927	2.0
266.09311	7.1
267.06619	2.3
267.10092	4.4
268.07211	4.5
269.08072	21.3
270.08701	3.4
275.06976	3.8
276.07816	3.8
277.08597	4.7
278.09375	2.9
279.06400	5.2
279.10065	3.3
280.07346	5.7
281.08084	17.5
281.11700	8.6
282.08591	1.7
283.06000	8.2
283.09589	6.8
285.07578	4.4
290.09412	1.8
291.06912	2.0
291.10007	7.6
292.07138	1.7
293.08133	4.5
294.08466	5.8
295.06210	1.4
295.09598	3.3
297.07666	15.3
297.10944	2.6
298.08340	14.9
299.08838	2.4
300.09885	13.1
305.08023	3.9
307.09479	5.3
308.10074	1.4
309.07681	1.9
309.11063	13.9
310.11847	3.0
311.09320	5.3
313.10663	96.6
313.14307	21.5
314.11053	9.8
314.14572	2.6
319.09589	4.0
320.10342	2.9
321.07544	4.0
322.08380	2.3
323.09109	3.0
324.09286	1.3
325.10684	2.3
326.07758	1.4
326.11435	4.8
327.12183	2.2
328.09180	7.6
335.09131	4.8
336.09857	5.5
337.10675	19.2
338.11404	2.4
339.08435	1.4
339.12274	1.9
340.13013	1.6
341.10196	86.0
341.13885	17.7
342.10532	7.4
342.14026	2.0
351.12259	22.8
351.21198	1.5
352.12708	2.2
353.10196	2.6
354.10974	7.6
355.11557	2.3
357.13358	3.3
359.14896	8.3
369.13297	100.0
370.13559	10.5
387.14319	58.4
387.25272	1.8
388.14658	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	387.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06619	0.4
53.37282	0.3
56.60804	0.3
58.23685	0.3
59.03291	0.3
60.85504	0.5
66.71425	0.3
70.50780	0.4
70.51126	1.0
72.51111	0.4
78.04685	1.1
79.05483	0.9
81.07055	0.4
85.02894	0.7
91.05463	0.9
93.07019	0.7
95.01303	1.1
95.04943	0.6
97.80978	0.4
103.05423	0.7
105.07027	1.0
106.04156	1.0
107.04939	1.0
109.02814	0.4
109.10137	0.4
121.06485	0.8
123.04427	3.6
124.05169	1.0
125.51171	0.3
127.03880	0.4
133.06465	0.8
137.05949	0.6
141.01814	0.5
146.88647	0.4
149.05945	1.0
151.03888	1.6
152.04669	0.9
161.05917	0.8
167.07024	69.8
168.07378	3.3
179.07089	0.4
181.08612	0.8
193.08556	2.8
203.05286	0.4
211.09625	2.2
225.07538	0.5
225.10963	5.0
245.09128	0.4
260.39923	0.4
270.26318	0.4
273.08698	0.5
387.16214	100.0
388.16577	8.7
396.28067	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1623
Annotation	Macrosphelide K
Peak:m/z	Relative Intensity
51.21884	0.3
67.05469	0.3
69.03425	0.8
70.06593	0.8
70.46989	0.6
70.47359	0.5
81.07083	0.3
81.22489	0.3
85.02898	0.9
91.05477	0.4
93.07045	0.4
95.04945	0.4
99.71809	0.3
105.07019	0.3
107.04964	0.7
110.06046	0.4
112.65488	0.3
123.04437	0.7
123.08128	0.4
124.78550	0.3
127.03905	0.4
131.08585	0.4
149.09592	0.4
151.03914	0.4
152.31023	0.3
161.37660	0.3
167.07043	5.7
167.10684	0.9
207.10013	0.5
209.15408	0.4
225.03925	0.4
225.07529	0.4
225.10931	1.4
238.42628	0.3
246.79559	0.3
329.12289	0.4
382.15533	0.3
387.16260	100.0
388.16409	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	387.1625
Annotation	Macrosphelide K
Peak:m/z	Relative Intensity
55.79271	0.3
57.03432	0.8
57.23416	0.4
60.37126	0.4
60.95857	0.4
61.02924	0.4
63.80520	0.4
67.05507	0.6
69.03426	1.6
70.03788	0.5
70.58170	1.2
71.86647	0.3
72.26345	0.3
73.02918	1.8
73.12357	0.3
78.14574	0.3
79.05477	0.7
81.07054	0.4
85.02896	2.9
86.03265	0.5
93.07063	0.5
95.04973	0.6
97.02909	1.7
98.03232	0.7
99.04456	0.5
105.07047	0.9
107.04970	0.4
109.02899	0.5
109.10172	0.7
119.04868	0.5
119.08571	1.8
123.04427	0.6
127.03913	1.0
133.04955	0.4
137.05971	0.7
145.04974	1.4
146.05298	0.7
147.08058	0.5
151.07529	0.5
153.05453	0.4
153.40886	0.3
161.09657	0.5
163.06024	0.7
165.05460	0.4
165.09021	0.4
167.07028	3.7
167.10583	0.4
170.45573	0.3
177.05621	0.4
183.10127	0.4
191.03415	0.5
195.61438	0.4
207.03694	0.4
207.06599	0.4
207.10016	0.7
225.10989	4.1
315.10669	0.5
329.46069	0.4
369.13809	0.4
371.22656	0.4
387.16257	100.0
388.16571	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	387.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	2.3
53.03938	8.9
55.01867	10.9
55.05498	10.7
55.10625	2.0
57.03441	4.8
57.70033	2.3
65.03930	5.0
67.05504	14.8
69.03434	26.0
69.07068	2.9
71.04995	6.4
71.34032	2.6
71.34389	2.9
74.89699	2.3
79.05489	28.7
81.03416	52.0
81.07058	13.3
83.04990	9.4
85.02908	18.0
91.05484	19.5
93.03419	3.2
93.07046	9.8
94.04207	3.3
95.04948	13.6
95.08608	6.2
97.02898	4.5
97.06536	7.3
99.04446	18.8
99.05020	2.7
102.86825	2.8
102.92785	2.1
103.05473	13.5
105.03330	2.4
105.07035	20.3
106.04228	4.9
107.04944	32.6
107.08591	6.7
109.02876	15.8
109.06528	7.8
109.10144	42.1
111.04459	7.1
115.05470	8.3
117.07000	11.0
119.08567	20.6
121.06496	7.7
121.10131	2.7
122.03641	7.4
123.04453	14.3
123.05249	2.2
123.08106	2.6
125.05972	11.0
127.03952	7.0
128.06206	10.9
129.07013	6.5
131.04880	15.3
131.08569	5.3
132.05577	3.2
133.06458	4.5
133.10120	16.7
135.04417	3.1
135.08054	4.8
137.05974	80.8
137.06973	4.6
137.09605	56.4
138.06238	2.9
143.04941	4.7
143.07031	7.9
143.08563	20.4
145.06453	15.6
145.10130	8.5
146.07285	3.0
147.08014	23.0
148.05241	2.6
149.06046	4.8
151.03923	22.3
151.05020	3.9
151.07574	3.0
152.04558	4.0
161.06000	5.6
161.09613	100.0
162.09961	4.4
163.07515	8.4
165.09108	86.8
166.09525	6.1
167.07031	98.7
168.07405	6.2
171.08025	2.9
172.05220	4.2
173.04457	13.5
173.05992	18.1
173.09644	2.6
174.06773	4.7
175.07536	5.2
177.05473	6.8
177.09007	2.8
179.10689	13.3
181.04977	48.9
181.08594	7.7
185.06013	8.3
187.07521	4.5
187.43062	2.2
189.09099	15.6
191.07007	20.1
197.11739	5.5
201.09033	3.5
203.07036	24.4
205.08583	7.4
207.06462	3.2
207.10135	28.8
215.07010	7.6
225.11145	11.4
233.06056	3.6
233.08102	10.5
233.11710	3.0
234.06726	4.6
235.07520	5.7
247.07448	4.5
251.07098	2.6
261.09238	3.4
263.06958	3.6
264.07303	2.7
266.09357	2.4
277.08633	3.0
279.10193	3.4
281.08295	2.5
291.09946	2.3
293.07959	3.2
295.09689	3.7
305.08221	4.4
307.09671	3.1
308.09982	3.3
309.10913	2.8
325.10352	2.9
337.10776	4.3
339.12289	5.6
351.14395	2.7
355.11710	3.8
357.13217	10.9
369.15836	22.1
381.78699	3.0
387.14127	38.8
388.14703	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	387.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	1.3
51.71409	0.9
53.03943	6.8
55.01859	3.2
55.05510	6.4
57.03425	2.6
60.15014	0.9
61.02932	1.3
65.03933	2.4
65.36925	0.8
65.64517	0.8
67.05500	13.5
69.03424	21.3
69.07052	2.1
69.77174	4.5
71.01324	1.0
71.04982	6.5
73.02908	2.3
79.05488	22.3
81.03409	19.5
81.07054	10.0
82.03713	0.9
83.04977	8.7
85.02898	15.5
91.05475	12.5
93.07030	3.8
95.04962	8.4
95.08594	3.8
97.02888	9.8
97.06541	6.0
99.04446	21.3
101.02324	1.4
103.05472	1.2
105.04507	1.1
105.07025	16.4
107.04949	22.0
107.08576	4.3
109.02868	15.4
109.06512	5.8
109.10148	41.4
110.10437	1.4
111.04422	6.0
113.05992	1.2
117.07022	3.3
119.08570	13.8
121.06480	3.8
123.08044	2.1
125.05969	5.7
127.03912	20.0
128.04189	0.9
128.06215	8.7
129.06999	2.9
131.08606	1.1
133.06506	1.8
133.10106	14.2
135.08047	1.2
137.06007	7.5
137.09604	52.3
138.09923	2.8
143.07059	2.5
143.08551	16.6
145.05014	1.5
145.06439	1.6
145.10118	3.0
146.07289	4.8
147.08043	17.9
148.08310	0.9
151.03857	1.6
151.07571	1.3
153.05493	1.1
159.07986	1.7
161.09604	100.0
162.09932	7.1
163.07567	1.3
163.11172	3.7
165.09102	76.4
166.09418	2.8
167.06996	3.0
171.08000	2.4
173.04443	4.3
174.06731	2.2
179.10648	15.0
181.04971	3.2
189.09106	14.5
190.09415	1.1
197.11694	5.0
207.10156	25.1
208.10544	1.3
209.02576	0.9
225.11186	10.1
226.11476	1.1
315.12033	0.9
331.03867	1.0
369.15430	5.3
370.15488	1.1
387.16187	4.9
387.20221	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	3.3
51.99826	2.7
53.03939	7.1
55.01847	5.4
55.05515	7.7
57.03434	3.2
58.65163	3.0
62.89463	2.9
67.05491	10.7
69.03426	15.8
69.07044	4.0
69.90598	12.0
71.04992	4.8
78.04716	4.0
79.05485	43.9
81.03410	34.1
81.07045	14.5
83.04988	8.6
83.08620	3.7
85.02895	11.0
89.94624	2.7
91.05473	27.2
93.07036	12.8
94.04177	3.6
95.04960	10.2
95.08584	7.9
97.02892	4.0
97.06509	5.6
99.04456	11.2
102.04640	3.1
103.05455	17.5
105.07048	31.6
106.63068	3.0
107.04955	91.5
107.08574	5.7
109.02884	12.4
109.06523	7.4
109.10164	25.1
111.04467	6.2
115.05441	13.3
117.06998	9.8
119.04940	4.0
119.08573	12.9
121.06525	12.5
122.03634	6.6
123.04427	7.7
124.05190	7.7
125.05987	13.6
127.03913	5.0
128.06184	6.1
129.06969	4.9
131.04944	10.0
133.02872	2.8
133.06509	13.5
133.10129	10.0
135.04381	3.5
135.08038	19.0
137.05980	63.7
137.09602	30.8
138.06319	3.3
139.07613	3.4
143.08609	15.0
145.06471	7.9
145.10114	14.2
147.04391	5.0
147.08073	15.4
149.05977	8.9
151.03891	15.4
151.07539	5.7
153.05498	5.1
154.06198	3.5
155.08536	4.3
155.26888	2.8
158.07240	10.6
161.05968	17.9
161.09613	54.9
163.07542	27.0
165.05484	3.3
165.09106	42.5
166.06282	5.5
167.07024	82.3
173.05927	4.0
173.09631	17.3
177.05534	5.1
179.10661	5.0
180.07794	8.3
181.04999	18.3
181.08589	51.3
185.06039	4.4
187.07494	5.2
189.09167	9.7
191.07091	8.1
193.08627	13.4
195.10144	100.0
196.10608	7.4
197.11601	4.4
201.09074	20.6
203.07059	5.3
205.08554	4.5
206.07225	3.2
207.08211	4.0
207.10156	12.6
218.09341	4.6
225.09227	4.0
225.11328	4.3
233.11649	15.5
235.07620	6.4
277.08432	3.1
281.08002	4.2
295.09720	4.9
297.07712	3.5
315.08765	3.2
355.11520	4.9
357.13284	8.2
369.15616	7.5
387.09991	4.4
387.14090	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	387.18
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00318	2.1
53.03928	1.9
55.01863	2.7
55.05511	1.9
67.05503	5.6
69.07069	4.5
70.00378	2.5
70.21568	3.3
70.21937	3.7
78.04717	3.6
79.05491	15.4
81.03439	2.0
81.07024	4.8
83.08611	1.9
89.60425	1.5
91.05464	13.1
92.92295	1.7
93.07050	4.7
94.04190	2.8
95.04967	5.4
95.08620	3.1
97.06591	1.9
102.04692	2.2
102.30535	1.9
103.05473	19.0
105.07030	24.7
107.04220	3.9
107.04948	66.0
107.08585	3.6
108.05331	2.4
115.05455	11.3
117.06992	7.2
118.04120	3.0
119.04909	3.0
119.08551	2.2
120.05724	3.1
121.06499	4.9
122.03621	7.6
123.04425	5.3
124.80051	1.5
128.06203	3.8
128.95494	1.7
129.07014	2.0
131.04948	10.6
133.02884	2.9
133.06488	12.4
134.06876	1.9
135.08043	14.3
137.05977	70.7
138.06342	2.4
143.04948	4.7
145.06462	5.7
145.10110	1.9
147.04358	4.2
148.05177	6.7
149.05923	2.4
151.03909	24.7
151.05023	3.6
151.07628	2.5
154.06287	3.0
155.06018	2.3
159.08128	3.2
161.06003	14.7
163.07535	30.4
165.05466	2.3
167.07042	48.1
168.07373	2.0
173.05998	2.9
173.09662	3.6
174.51683	2.0
175.07666	2.7
177.05434	3.5
178.06175	2.1
179.06934	2.5
180.07797	6.4
181.04930	16.9
181.08586	10.2
187.07513	3.3
191.07028	26.2
193.08594	17.7
193.10144	2.6
195.10144	100.0
196.10515	4.2
201.09120	5.0
203.07063	4.4
205.08456	2.6
217.27814	1.7
219.08229	2.4
219.10266	3.0
233.08141	3.0
233.11635	8.2
235.09697	1.9
247.07642	2.2
249.09167	1.8
252.07631	1.7
279.09167	1.7
306.08353	2.0
325.10529	2.0
337.10571	3.4
357.13257	5.4
372.14651	3.1
387.14279	20.8
387.25070	31.2
388.14471	2.9
388.25415	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	387.1798
Annotation	Isogingerenone B
Peak:m/z	Relative Intensity
51.02378	0.8
53.03936	3.3
55.01860	2.4
55.05504	3.0
58.30737	0.8
65.03936	1.8
66.59241	0.7
67.05485	2.2
69.07066	2.2
69.55625	2.1
69.56033	2.3
70.82480	0.8
74.92677	0.7
77.03947	0.9
78.04710	1.9
79.05486	16.5
80.05824	0.8
81.03423	0.8
81.07076	3.8
83.05020	0.9
83.08602	2.8
84.90639	0.7
91.05473	17.0
92.06286	1.0
93.07037	13.5
94.04178	1.7
95.04958	6.5
95.08599	1.0
97.10175	1.2
98.22636	1.5
103.05473	8.4
105.04484	1.3
105.07036	5.2
106.04161	1.1
107.04951	37.0
107.08590	1.2
108.28434	0.8
109.06534	1.5
111.08081	0.9
115.05463	2.8
117.06974	4.1
119.04932	3.3
120.05721	3.2
121.06503	15.8
121.10150	1.6
122.03640	4.5
123.04427	5.5
124.05222	6.7
125.05973	4.5
125.09615	2.2
128.06194	2.1
129.06975	1.7
130.07816	4.5
131.04924	2.8
131.08514	1.4
133.02879	1.4
133.06454	2.0
134.03618	1.3
135.08040	1.6
136.05193	1.1
137.05971	32.9
138.06720	1.3
141.06978	0.9
143.04936	1.2
143.08556	7.3
145.06467	2.7
145.10118	18.7
147.04396	3.0
147.08026	1.4
148.05208	4.0
149.06009	5.2
151.03893	7.3
151.07535	1.8
152.04677	4.7
153.05478	1.3
153.07004	1.1
155.08513	5.0
157.06551	1.4
157.10100	0.8
158.07272	20.9
159.07922	1.5
161.06004	2.2
163.03954	1.0
163.07521	1.8
165.05412	0.9
165.09085	1.6
166.06245	14.1
167.07031	90.3
168.05969	0.9
168.07310	3.8
171.08043	2.0
173.09616	29.6
174.09914	1.2
175.07509	2.1
175.09694	1.1
177.05469	2.6
178.07761	0.8
179.07077	2.4
181.05090	9.4
181.08585	100.0
182.08948	3.7
183.09229	1.4
186.06714	3.7
187.07492	1.6
189.09097	1.2
189.80637	0.8
191.06996	4.4
192.07817	1.0
193.08604	2.5
195.06491	1.8
195.10135	8.1
201.09096	53.7
202.09431	3.5
203.07005	2.5
205.06674	0.9
205.08615	2.1
208.10919	1.4
209.07965	1.7
215.07016	1.2
218.09349	2.8
219.10129	1.5
221.09682	0.9
231.07950	1.1
233.11711	38.0
234.06662	2.0
234.12061	2.8
237.08856	0.8
249.08800	1.0
251.07053	0.8
256.07123	0.9
265.08585	2.2
267.10159	0.8
276.07748	1.2
277.08588	1.9
291.10181	1.0
295.09439	1.1
305.07977	2.3
309.11075	1.4
319.09497	1.6
337.10562	3.9
338.11456	0.9
344.12415	0.8
351.12292	2.1
357.13309	4.5
369.13135	2.1
387.13943	11.4
387.18115	6.4
387.23126	1.3
388.22623	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81947	1.9
53.03964	3.4
55.01864	3.6
55.05511	9.1
65.03934	3.3
67.05495	10.8
69.03438	1.9
69.07069	9.9
71.04998	2.3
71.32487	1.8
72.93797	2.3
78.04715	2.9
79.05483	25.8
81.07045	12.6
83.08631	3.0
85.02969	2.2
91.05471	20.8
93.03402	2.6
93.07034	22.4
94.87019	1.6
95.04956	6.0
95.08598	8.0
97.06506	4.1
97.10170	4.8
103.05463	7.4
105.07026	7.5
106.04179	3.4
106.42849	1.7
107.04950	31.1
107.08571	5.6
109.10136	5.5
115.05465	1.9
117.03405	1.8
117.06987	4.0
119.04942	5.6
119.08583	4.1
121.06493	15.8
121.10134	5.8
122.03642	5.2
123.04392	3.3
123.08051	2.9
124.05200	4.5
125.05957	6.2
125.09626	3.8
129.06996	2.5
130.07845	4.2
133.02843	3.0
133.06459	3.6
133.10162	1.8
135.04398	2.0
135.08022	2.7
135.11668	2.4
137.05965	38.3
137.09544	2.3
138.06769	3.0
139.07646	1.8
139.11151	3.2
139.59111	1.7
143.08545	10.0
145.06538	3.4
145.10110	16.4
147.04381	3.1
148.05185	4.7
149.06003	7.5
149.09637	2.1
151.03889	7.3
151.07500	2.2
152.04663	2.2
155.08568	3.4
158.07246	12.5
161.06007	1.9
163.07512	3.2
165.05453	2.5
166.06242	10.9
167.07028	74.6
167.08481	3.5
168.07437	4.9
173.09595	26.0
175.07504	2.4
177.05441	2.1
179.07076	2.5
181.05014	17.1
181.08580	100.0
182.08905	4.2
191.07034	5.9
193.08647	3.0
195.10130	4.3
201.09093	40.2
202.09407	3.0
203.07066	2.9
205.06502	2.2
205.08536	3.8
208.10970	3.5
218.09334	2.5
221.09349	1.7
233.09622	3.4
233.11714	32.8
233.13895	2.7
249.09341	1.9
249.53172	1.8
265.08578	2.0
277.21582	4.7
283.09509	2.1
294.08847	2.1
295.22833	2.4
305.08215	2.1
325.10565	2.0
329.10117	1.6
337.10660	3.4
349.14563	2.8
351.16064	4.6
357.13242	4.6
367.15662	3.7
369.17267	13.8
387.09402	3.2
387.13766	17.7
387.18433	17.0
387.26764	3.3
388.14355	3.0
388.18832	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	387.18
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23226	0.3
53.03939	1.9
55.01853	0.6
55.05500	1.5
57.03409	0.4
57.07054	0.3
65.03944	1.6
66.04704	0.5
67.05502	2.3
69.03418	0.5
69.07059	1.1
71.04972	0.6
71.32702	0.5
77.03915	0.4
77.82177	0.3
79.05488	6.8
80.05807	0.3
81.03411	4.0
81.07059	4.4
83.04955	1.1
83.08610	0.9
91.05468	1.5
93.03402	0.6
93.07024	1.8
94.04173	0.8
95.04968	2.3
95.08595	1.8
96.05730	2.5
97.06519	0.8
97.10149	0.7
103.05449	1.0
105.04508	1.0
105.07026	20.9
106.07352	0.9
107.04939	0.6
107.08583	2.0
108.02102	1.0
108.05718	0.7
109.02855	0.8
109.06516	2.8
109.10142	1.1
111.04415	0.8
111.08070	1.2
113.05990	0.6
117.07001	0.5
119.04938	0.6
119.08572	1.4
121.02867	0.6
121.06511	0.7
121.10142	1.3
122.03648	2.7
123.04411	0.5
123.11721	0.5
124.05212	4.9
125.09580	0.4
128.04706	1.0
131.04906	0.4
131.08536	1.0
131.62498	0.4
133.10115	1.2
135.04396	0.4
135.11702	0.9
137.02315	1.0
137.05965	2.7
137.09541	0.5
139.03900	0.5
139.07538	5.8
141.01833	0.8
141.05511	0.4
145.06538	0.4
145.10083	1.2
147.11655	0.7
149.09631	0.3
151.03909	31.5
151.05002	2.1
151.07526	0.7
152.04695	8.5
153.05238	0.4
156.04124	1.7
157.10190	0.4
159.08032	0.8
159.11679	0.7
161.13181	0.4
163.07483	0.5
163.11084	0.4
165.05559	0.4
167.06993	1.4
167.10664	0.5
171.11696	0.4
175.01569	0.4
177.09079	0.4
181.04968	1.3
183.11783	0.4
185.08044	1.3
185.13289	0.6
189.12871	0.4
191.07034	0.6
191.10646	1.1
193.08597	0.5
195.06523	100.0
196.06842	4.1
205.08633	0.6
219.10191	1.4
251.20085	0.5
263.12573	0.4
369.16815	0.4
369.24258	0.4
370.41315	0.4
387.14285	1.3
387.18005	1.1
387.25354	0.8
387.30008	1.1
412.99649	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15987	0.4
50.56447	0.2
51.02374	0.2
53.03939	1.0
55.01871	0.3
55.05506	0.8
61.68729	0.3
65.03923	0.6
66.04718	0.7
67.05484	0.8
69.03414	0.4
69.07054	0.6
71.05006	0.3
71.32864	0.3
74.07262	0.2
77.03933	0.3
77.42442	0.2
79.05490	3.6
81.07045	1.5
83.04976	1.2
83.08601	0.3
85.06522	0.3
91.05465	0.9
93.07034	0.8
94.04172	1.9
95.04956	1.1
95.08582	0.7
97.06518	0.5
98.03664	0.3
103.05413	0.2
103.75239	0.2
105.03382	0.6
105.04481	0.5
105.07026	0.8
107.04951	0.7
107.08565	0.6
109.02873	0.7
109.06487	1.8
109.10126	0.4
117.06972	0.3
119.08586	0.5
121.02876	0.5
121.06487	0.3
121.10139	0.5
122.03639	2.7
126.03151	0.8
128.06169	0.2
131.08537	0.3
133.06410	0.4
133.10127	0.4
135.04396	0.3
135.08046	0.3
136.05231	0.5
137.02284	0.3
137.05995	1.3
137.09549	0.2
138.06757	0.5
139.07520	0.3
143.08553	0.2
145.06468	0.9
146.07230	0.2
150.06767	0.6
151.03886	0.5
151.07535	2.7
155.07031	3.7
157.06482	0.3
159.08081	1.2
159.11716	0.3
161.05994	0.3
161.09608	0.3
162.06705	0.2
163.07489	0.3
165.05464	100.0
166.05807	3.8
167.07008	0.6
172.08813	1.2
173.05914	0.3
173.09525	0.4
174.10406	1.6
175.07524	0.3
181.04985	0.2
187.07579	0.3
188.08318	1.2
190.09891	1.0
191.06970	0.3
193.08601	0.7
193.12227	2.2
195.13771	0.2
200.08417	0.3
203.10606	2.4
205.12254	1.9
216.07782	0.3
221.11708	0.8
231.10173	2.7
232.10643	0.3
249.11206	56.2
250.11552	3.4
268.11111	0.2
295.13068	0.3
297.11322	0.3
311.12698	0.4
312.13632	0.5
314.15121	0.5
326.14972	0.2
338.14841	0.3
339.12225	0.4
341.17526	0.3
354.14447	0.3
369.16827	0.3
369.26779	0.3
380.35480	0.2
387.14413	0.2
387.18027	2.1
387.25592	0.3
387.30380	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	3.3
55.05500	4.0
59.04998	4.7
64.27077	3.1
65.03949	6.6
65.42142	3.2
67.05505	10.5
69.03420	3.9
69.07090	7.3
75.04447	3.3
79.05503	11.0
81.07054	11.8
91.05484	12.0
93.07043	15.0
95.04965	12.5
95.08585	10.8
96.64873	3.2
97.06535	5.2
101.68407	2.9
103.05472	5.4
105.07047	9.6
107.04993	6.0
107.08583	10.1
108.02066	4.0
109.10138	9.0
111.04480	3.5
115.05457	3.7
119.08582	10.5
121.06493	6.3
121.10129	5.4
123.04454	5.0
125.05971	7.2
125.09660	5.4
127.07533	4.2
129.06985	4.0
131.08575	11.9
133.10098	4.4
135.11664	7.2
143.08511	5.0
145.10143	9.5
153.05446	35.8
157.10110	3.4
157.74901	3.3
158.07254	8.4
159.08067	13.8
159.11710	6.6
161.13245	5.1
167.07066	32.3
168.09338	3.2
171.11694	4.9
173.09601	17.3
179.08585	5.1
181.06511	4.8
181.08611	27.9
181.10095	7.6
183.11684	9.8
187.07530	15.7
187.14847	3.5
190.07794	7.6
191.08594	4.3
192.09398	8.2
193.10152	7.8
195.08144	4.6
195.10199	9.1
197.13191	5.9
201.09128	16.5
203.08569	4.6
205.06511	5.2
205.10190	8.3
207.08047	8.4
207.11694	4.3
209.09721	7.5
210.06697	5.1
211.07594	4.8
218.07249	15.1
219.08052	7.2
219.10056	7.1
220.08794	9.4
221.09579	7.5
222.10355	16.0
223.07582	5.0
224.08401	4.1
225.09079	4.4
225.12732	7.3
233.09608	21.4
233.11732	10.8
234.12492	8.5
235.07541	30.6
235.11198	9.3
237.09120	12.2
237.12791	13.7
239.07095	5.0
239.10551	5.1
247.07469	4.0
248.08385	15.3
249.09067	12.5
250.06166	4.2
250.09879	13.3
251.07027	14.7
251.10750	8.7
252.11534	5.2
253.12263	18.3
261.09097	7.9
263.06970	5.7
263.10699	16.3
264.07886	5.6
264.11203	4.3
265.08676	15.2
265.12250	51.7
266.12552	8.3
267.06595	6.5
267.13846	6.6
269.08154	5.8
269.11606	4.8
277.08627	4.4
278.09354	9.1
279.10251	4.6
280.11169	7.6
281.11691	7.0
291.10263	9.9
293.08371	7.7
293.11670	100.0
293.14853	6.7
294.12161	11.4
295.13223	26.8
296.13919	4.8
296.92770	3.7
297.11255	6.4
308.10492	11.6
309.11160	9.0
323.12708	32.1
324.13553	6.8
327.15848	15.4
355.15378	27.6
356.15759	4.9
387.18015	8.4
387.24936	10.0
387.29480	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	387.1798
Annotation	Isogingerenone B
Peak:m/z	Relative Intensity
51.13386	0.8
53.03937	2.2
55.01867	0.9
55.05507	1.3
65.03931	1.2
67.05484	3.3
69.07078	1.7
71.10956	1.2
74.83396	0.8
78.04677	2.1
79.05495	10.8
81.07066	4.8
91.05477	17.0
92.06286	0.9
93.07049	13.3
95.04965	3.8
95.08608	4.5
103.05453	8.0
105.04534	1.4
105.06979	4.7
106.04147	2.1
107.04953	18.5
107.08559	2.2
109.06509	0.9
109.10165	1.8
115.05456	2.3
117.06995	3.3
119.04926	2.6
119.08600	2.1
120.05731	1.5
121.06504	16.1
121.10139	2.6
122.03606	1.0
123.04418	4.5
123.11669	1.3
124.05222	4.8
125.05997	2.0
128.06175	2.4
129.07030	1.4
130.07784	5.6
131.04961	1.0
131.08534	2.1
133.02834	1.0
133.10136	2.1
135.08064	1.2
135.11653	1.4
137.05962	2.7
138.06720	1.6
141.06989	1.0
142.07765	1.0
143.08548	7.8
145.06508	2.2
145.08978	1.4
145.10121	19.3
146.10431	0.8
147.04379	1.9
147.08029	0.7
147.11662	1.2
148.05212	2.7
149.05959	5.9
151.03871	2.8
152.04697	2.7
153.06856	1.2
155.08496	5.0
157.06409	1.1
157.10178	1.4
158.07265	24.2
159.07884	1.7
159.11819	1.1
163.07413	1.2
166.06253	9.4
167.07028	80.7
168.07379	2.7
171.08023	2.3
171.11684	1.2
172.08820	1.4
173.09608	34.3
174.09856	1.9
175.07594	1.0
175.14851	0.8
181.08585	100.0
182.08940	4.4
183.09187	2.1
184.45967	0.8
185.13286	1.4
186.06721	3.5
187.14874	0.8
189.09059	0.9
191.07042	1.2
195.06407	1.1
195.10167	8.0
201.09093	55.3
202.09550	2.9
218.09410	1.8
233.09338	2.0
233.11702	38.9
234.12212	1.9
329.10165	1.0
344.12619	1.2
355.15134	2.1
358.14218	0.8
387.17883	10.8
387.24948	1.0
387.28989	4.6
388.17950	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27681	5.8
55.05507	10.3
57.03414	5.4
67.05497	9.6
69.03436	30.3
69.07056	6.4
69.18586	48.1
70.06599	16.0
71.05003	7.1
71.06886	5.8
79.05488	26.9
81.03434	26.8
81.07052	14.6
83.04982	10.0
85.02908	41.1
91.05489	24.8
93.07036	20.5
95.04955	14.9
95.08618	16.7
97.02898	15.2
98.23428	5.5
99.04461	18.4
101.06095	7.6
103.05431	10.2
105.07042	29.9
107.04951	40.2
107.08570	14.9
109.02875	13.1
109.06488	13.9
109.10157	23.7
111.04430	4.9
113.70796	5.8
115.05508	6.7
117.07038	8.4
119.08578	20.4
121.06514	16.6
121.10141	20.5
122.03620	7.2
123.04424	17.7
123.08055	21.7
125.05923	9.6
127.03934	15.3
129.06909	5.4
131.08583	9.7
133.06549	8.2
133.10136	23.4
135.04410	9.2
135.08028	11.4
137.05951	34.2
137.09607	28.6
140.89699	6.7
143.08583	8.0
145.06546	10.9
145.10097	13.4
147.04375	8.1
147.08080	14.1
149.06010	13.3
149.09636	10.7
151.03905	19.4
151.07570	17.8
161.06036	9.9
161.09610	40.7
163.03897	6.9
163.07552	13.0
163.11172	54.4
163.98051	6.7
165.05489	8.7
165.09081	31.5
166.09454	5.3
167.07018	61.6
167.10727	11.1
177.05453	20.6
177.08963	6.0
178.05801	7.7
179.06955	9.1
179.10641	13.4
181.04935	10.9
189.09122	13.4
189.12746	10.9
191.06996	8.7
203.06844	6.7
207.06572	9.8
207.10178	15.0
207.13632	25.8
225.11154	13.7
225.14812	19.9
233.08023	6.4
235.07568	5.8
295.09659	5.9
311.09134	5.9
387.10309	8.7
387.15393	41.4
387.19910	100.0
388.14246	5.8
388.20572	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	387.2012
Annotation	Sonchuionoside A
Peak:m/z	Relative Intensity
53.03935	2.7
55.01867	3.1
55.05516	3.9
57.03442	2.5
61.02909	1.9
65.79082	1.6
67.05499	4.8
69.03429	25.3
69.07095	2.1
69.49900	11.0
70.06616	4.2
71.04990	3.9
72.08174	2.0
79.05494	5.0
81.03421	9.1
81.07063	14.4
83.04973	2.7
85.02906	85.4
85.06563	1.7
86.09725	2.2
91.05482	7.7
93.07051	11.4
95.04998	4.5
95.08606	10.9
97.02890	5.4
98.23432	1.8
99.04478	4.8
105.07033	9.1
107.04971	2.4
107.08595	10.1
109.02905	3.1
109.06533	4.0
109.10133	11.9
111.04475	2.6
117.07027	3.2
119.08577	9.6
121.06509	2.7
121.10149	11.7
121.71246	1.8
123.04436	2.3
123.08093	4.9
123.11710	38.5
125.05991	54.3
127.03947	5.1
133.10159	5.1
135.08089	6.1
135.11691	9.4
137.06047	3.8
137.09659	4.6
139.07527	10.0
145.05051	2.6
145.06540	2.0
145.10141	4.6
147.11737	8.7
149.09634	7.7
151.03909	2.5
151.07599	6.6
151.11203	3.1
159.25841	2.3
161.09631	5.1
161.13312	8.4
163.07600	1.9
163.11182	7.9
165.05641	1.6
165.09111	8.5
167.07060	4.2
167.10730	2.6
171.11668	2.4
175.76436	1.7
178.05855	3.1
181.04893	1.7
181.12218	19.9
189.12700	10.7
191.07080	2.0
207.13737	32.0
225.14844	72.1
225.17027	3.5
226.15211	3.5
333.17108	2.7
351.18143	3.0
364.39288	2.0
387.15561	6.0
387.20010	100.0
388.15485	2.2
388.20218	8.3
397.02280	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2011
Annotation	(6R,9R)-Roseoside
Peak:m/z	Relative Intensity
58.23367	16.2
58.67875	18.7
60.88892	17.8
64.58031	17.8
67.05493	16.8
70.06596	100.0
71.06932	24.0
71.21817	19.4
85.02895	50.9
95.08592	50.5
97.10693	17.0
114.14677	16.9
121.10147	15.8
123.08065	22.1
123.11711	37.0
135.11688	17.5
138.27594	14.7
149.09593	19.3
177.05412	42.0
178.05856	22.6
207.13849	63.4
231.03807	17.1
275.10495	16.4
387.16022	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.201
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00349	7.7
53.03949	15.5
55.01877	10.1
55.05504	16.3
57.03467	10.6
67.05502	20.9
69.03428	77.6
71.04993	12.1
76.33572	8.6
79.05494	32.5
81.03404	20.2
81.07063	28.3
83.04983	28.4
85.02892	39.6
85.06592	9.2
91.05475	38.9
93.07039	56.1
95.04965	13.3
95.08620	21.6
95.87535	8.1
97.02911	18.7
99.04453	11.4
103.05479	9.3
105.00072	10.0
105.07016	37.3
107.04967	19.5
107.08576	57.1
108.26446	7.2
109.02863	12.3
109.06548	11.1
109.10174	21.2
111.04440	18.1
117.07004	13.1
119.08583	37.8
121.06531	23.0
121.10114	54.2
122.31294	7.5
123.04407	17.1
123.08100	33.4
125.06038	13.5
127.03979	11.5
128.06236	8.1
129.05495	18.5
133.06601	11.5
133.10094	14.4
135.08028	43.7
135.11708	48.3
136.08452	9.3
137.05963	10.3
137.09616	64.6
145.10164	10.2
147.06650	7.8
147.08023	36.3
147.11655	9.5
149.05960	18.0
149.09647	11.8
151.03902	94.9
151.05017	9.3
151.11154	13.7
161.06030	8.8
161.09615	48.5
161.13300	12.5
163.11122	45.0
165.07779	14.6
165.09109	87.1
167.07040	29.3
167.10696	13.0
177.05476	15.2
177.09155	7.8
179.10612	37.9
181.04987	8.7
181.12239	100.0
189.05450	18.9
189.09071	9.5
195.06543	8.2
204.84297	8.2
205.05417	9.4
205.12231	52.0
207.10182	14.6
207.13849	25.6
223.06503	8.5
225.07623	29.3
225.11086	18.2
225.14879	72.3
266.07861	13.5
284.08835	14.7
303.68304	9.3
364.04471	11.0
369.12198	11.3
387.16434	73.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2012
Annotation	Sonchuionoside A
Peak:m/z	Relative Intensity
53.03946	8.3
54.18301	7.1
55.05503	8.5
67.05502	10.6
69.03427	21.2
69.07062	8.3
70.06597	22.9
70.62007	16.3
72.08154	14.6
79.05488	16.3
81.03413	10.7
81.07088	10.0
85.02905	28.0
91.05482	16.2
93.07043	63.6
95.04967	8.3
95.08631	13.8
97.02851	7.3
105.07027	21.6
107.08595	49.9
109.06526	10.6
109.10147	13.7
119.08594	30.6
121.06526	11.7
121.10156	47.5
123.04423	8.0
123.08067	32.3
123.11711	11.0
133.10176	12.9
135.08064	38.3
135.11699	38.4
137.09615	36.5
145.10139	14.6
147.08052	20.9
147.11716	11.3
149.09637	13.0
151.03923	16.1
161.13237	7.5
163.11211	38.1
164.97224	7.5
165.09103	59.1
177.05621	8.2
177.12749	13.4
178.05872	8.7
181.12241	100.0
189.12761	11.4
207.13875	28.0
225.14856	69.9
292.81277	6.7
341.07144	7.4
344.57980	6.4
387.15747	23.2
387.20474	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.5
55.01875	26.1
55.05519	1.2
57.03428	0.5
61.02926	0.6
65.03943	0.5
67.05508	2.4
69.03419	2.1
69.07066	1.5
69.70781	2.4
71.05000	3.3
71.88901	0.4
79.01819	0.5
79.05476	2.4
81.03417	1.5
81.07059	3.6
83.08643	0.7
85.02911	4.2
85.06552	0.9
87.04469	0.9
91.05469	2.5
93.07062	2.6
94.04195	0.5
95.04971	2.0
95.08631	2.7
97.02902	1.2
97.06534	100.0
98.06879	3.5
99.04442	0.7
99.08067	0.6
103.05481	1.6
105.07044	2.9
107.04959	2.0
107.08590	3.3
109.02889	1.0
109.06561	0.5
109.10156	2.8
111.08074	1.3
115.05453	0.5
117.07018	0.9
119.04947	0.6
119.08611	2.5
121.06572	1.0
121.10164	2.4
122.03606	0.9
123.04417	1.1
123.08120	0.6
123.11707	2.7
125.05985	0.5
127.03883	0.7
127.11240	0.7
129.06999	0.5
131.04919	1.8
131.08560	0.6
133.06480	0.6
133.10112	2.0
135.11717	0.9
137.02382	0.9
137.05977	12.4
137.09641	1.5
138.06367	0.5
139.07526	0.6
143.04889	0.7
143.08537	1.1
146.07169	0.5
147.04419	0.9
147.07986	0.6
147.11707	1.3
149.06003	0.8
149.13260	1.8
151.03914	1.9
151.07541	1.0
151.11220	1.2
153.06969	0.5
159.08089	0.5
159.11682	0.4
161.06032	0.7
161.09615	2.4
161.13258	1.0
163.03897	1.0
163.07570	1.5
163.14822	0.7
164.08267	0.9
165.05426	0.5
165.09122	2.0
165.12772	1.2
167.07036	4.2
173.06020	0.7
174.06833	0.6
175.07591	0.9
177.05495	2.4
179.10689	0.8
181.04955	3.6
182.05307	0.5
189.09123	1.0
189.16406	1.4
191.07057	2.0
203.07117	0.6
207.06511	0.6
207.10202	1.2
207.17430	2.3
223.05975	1.6
225.18471	1.5
291.10114	0.5
295.09390	0.5
315.05032	0.6
327.12167	0.6
343.08194	0.7
355.11987	0.5
357.13260	1.7
387.10400	1.0
387.14343	3.4
388.14853	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2527
Annotation	Gerronemin A
Peak:m/z	Relative Intensity
52.71544	1.6
52.79174	1.8
53.03938	2.8
55.01864	2.8
55.05508	12.5
57.03442	3.6
57.07074	2.4
58.88381	1.9
59.04985	5.9
65.03929	2.7
66.67136	1.8
67.05502	25.7
69.03430	40.4
69.07074	15.9
69.21928	9.7
69.22343	4.2
71.04988	5.3
79.05488	18.7
81.03424	2.5
81.07055	29.3
83.04966	5.7
83.08611	8.6
87.04462	4.2
91.05485	21.1
93.07046	42.3
94.07367	1.7
95.04957	6.1
95.08611	30.0
97.06540	23.7
97.10165	1.8
99.04472	2.5
99.13345	1.6
105.07023	26.8
106.07262	1.7
107.04996	2.9
107.08595	29.5
109.06513	7.6
109.10156	24.3
111.08069	9.1
117.07030	4.8
119.08585	28.4
120.54320	1.8
121.06490	5.0
121.10136	46.7
123.04420	2.5
123.08056	10.9
123.11700	11.9
125.05997	2.5
125.09633	8.1
129.06981	4.4
131.08577	12.6
133.10133	27.4
133.43170	1.7
134.10544	2.0
135.08052	9.3
135.11684	21.0
137.06020	2.4
137.09607	100.0
138.09973	2.8
139.07547	4.8
139.11186	26.7
143.08568	4.4
145.06505	2.0
145.10074	13.7
147.08037	7.6
147.11674	13.8
149.09602	11.0
149.13243	5.4
150.10376	3.7
151.11180	38.2
153.09123	2.8
153.12715	4.4
155.08519	2.4
157.10158	6.9
159.08025	2.6
159.11687	8.4
161.09604	9.1
161.13184	8.6
163.11151	7.3
165.09111	8.3
165.12811	3.9
167.10677	11.0
169.10211	3.0
171.11688	3.1
173.09599	5.3
173.13240	4.0
175.11215	4.1
175.14842	6.4
177.09058	8.4
179.10655	8.8
179.14383	3.4
183.10089	2.0
185.13264	2.3
187.11244	1.7
187.14882	8.6
189.12746	5.5
191.10710	2.5
191.14352	3.1
193.12260	12.0
193.15813	4.0
195.10208	4.3
195.11755	2.0
195.13663	1.7
197.13240	3.6
199.14886	2.0
201.12825	3.1
202.42046	1.9
203.14360	2.9
205.12260	2.5
205.15877	6.7
207.10132	3.1
207.12085	2.1
207.13741	11.4
208.87524	2.1
209.09750	2.2
209.11678	10.5
209.15376	5.1
212.12138	2.3
215.14345	3.7
217.15985	2.6
219.13820	4.9
221.15323	8.8
225.12585	1.8
231.13811	2.0
233.15398	7.7
235.13271	83.6
236.13657	3.0
237.14845	28.8
247.13348	6.9
247.16949	3.2
249.14844	32.6
261.14880	3.2
273.18460	2.2
275.19925	2.2
277.18179	2.7
285.18304	4.4
289.18335	4.1
289.21606	6.0
291.19516	6.2
299.20001	3.5
301.17834	4.6
303.19623	9.3
313.18115	4.3
317.21085	4.0
331.18991	4.3
337.41470	1.7
341.24771	4.9
359.25638	5.1
360.44159	2.0
369.24252	20.3
387.25241	85.4
387.39719	2.0
388.25659	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	387.274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	1.2
51.89640	1.0
53.03940	5.1
55.01870	6.5
55.05511	35.1
57.03436	18.5
57.07061	3.2
59.04986	2.3
60.48352	1.2
61.42522	1.0
65.03925	4.7
65.50523	1.2
67.05503	100.0
69.03413	4.4
69.07067	39.5
71.04994	16.0
73.02935	1.0
79.05492	62.3
80.05822	1.8
81.03384	3.5
81.07054	78.4
82.07356	2.6
83.04978	8.4
83.08621	15.4
85.02902	2.1
85.06538	9.8
89.28101	1.1
91.04944	2.3
91.05477	34.9
93.07041	69.7
94.07377	1.4
95.04961	7.9
95.08604	82.6
96.08960	2.3
97.06531	12.7
97.10163	18.5
98.23419	2.2
99.08090	4.4
103.03918	1.2
103.05465	3.5
105.04535	1.8
105.07034	27.0
107.04943	4.2
107.08593	43.5
108.08876	1.3
109.06523	4.4
109.10156	30.6
111.08076	4.2
111.11677	2.3
113.09637	6.5
115.05457	3.0
117.06992	6.3
119.08588	19.6
121.06478	2.0
121.10143	50.3
122.03613	1.5
122.10452	1.1
123.04413	2.7
123.08064	4.0
123.11726	7.7
125.09619	11.3
127.07546	1.3
128.06187	1.6
129.07010	2.2
131.04887	2.0
131.08574	11.5
132.05656	1.1
133.06505	2.2
133.10124	15.5
135.08052	2.1
135.11691	25.9
136.11966	1.2
137.05984	15.9
137.09575	3.7
137.13277	2.1
139.03899	2.5
139.11159	20.1
140.67160	1.2
143.08505	3.7
145.10156	9.2
147.04378	1.9
147.07991	2.0
147.11668	17.6
149.09637	6.1
149.13258	10.0
150.06769	2.0
151.03909	5.2
151.07535	3.5
151.11159	2.7
153.05420	1.3
155.10661	1.7
157.10092	4.1
157.12219	1.3
159.10269	1.4
159.11685	5.8
161.05971	3.5
161.09521	1.7
161.13261	5.8
162.06758	1.3
163.04060	1.4
163.07474	2.5
163.11172	2.7
163.14828	1.9
165.05475	2.2
165.09123	4.4
165.12724	8.4
167.07085	7.8
167.08417	1.8
167.10638	3.5
169.10071	1.2
171.11665	4.2
173.11732	5.2
173.13240	3.2
175.07478	2.1
175.14778	4.2
177.05566	1.4
177.09073	1.1
177.12741	2.5
181.04958	5.8
181.12189	2.4
185.11693	4.5
185.13289	4.5
187.14804	2.8
189.09163	1.0
189.11205	4.9
189.16365	1.2
191.07050	3.0
193.08571	1.9
193.15820	1.4
195.06514	2.3
195.13812	3.4
199.14812	1.9
201.14859	4.8
201.16522	1.2
203.12776	10.3
207.10210	1.3
209.11766	3.3
213.14781	1.7
213.16573	1.8
221.15414	2.9
235.16847	1.4
239.16444	4.5
241.14314	2.9
241.19493	5.3
259.15375	2.5
259.20596	13.3
263.07095	1.3
277.18954	1.9
277.21652	21.3
278.22028	2.3
295.22736	5.1
299.09067	2.5
351.25189	4.0
352.11923	1.2
357.13251	1.4
369.26465	9.5
387.14255	7.6
387.26831	17.0
388.27451	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00297	0.8
55.01871	1.1
55.05511	3.3
57.03425	1.1
57.07068	3.4
59.04999	3.0
65.03922	0.8
67.05504	14.4
69.03434	1.8
69.07059	6.5
69.43492	5.3
71.04990	2.4
79.05489	7.1
81.07056	39.6
81.38109	0.7
83.04985	2.0
83.08624	2.3
87.04463	2.1
89.76163	0.8
91.05480	4.2
93.07044	14.2
95.08604	14.1
97.06523	9.9
97.10158	0.9
98.23335	0.9
105.07018	5.4
107.04961	2.6
107.08585	16.6
107.09264	1.2
109.06515	1.8
109.10159	18.6
110.10483	0.7
111.08074	7.9
119.08591	3.1
121.06477	1.9
121.10146	27.8
122.10476	1.1
123.08088	2.6
123.11705	12.0
123.12534	1.2
125.06015	4.5
125.09621	12.3
131.08559	1.3
133.10132	4.2
135.08008	1.1
135.11691	10.6
137.09586	2.3
137.13254	13.7
139.07532	2.2
139.11186	7.2
145.10109	1.7
147.11629	1.4
149.09625	8.5
149.13260	1.4
151.11174	17.2
152.11510	0.9
153.09105	4.3
153.12721	6.8
156.38257	0.7
159.11826	0.8
161.09587	2.6
163.11191	4.9
163.14789	0.9
164.11961	2.7
165.12738	1.9
167.10674	20.9
168.10997	1.4
177.09090	5.1
179.10686	3.6
181.12288	8.1
183.10255	1.3
191.10814	0.9
193.12259	4.2
195.10167	16.4
205.15819	1.5
205.19612	1.1
207.13847	1.1
209.11740	1.9
209.15408	1.9
221.11861	1.1
221.15289	1.6
223.16968	3.5
233.15289	1.1
235.16888	1.6
249.14877	20.8
250.15257	1.3
251.16417	91.9
252.16782	6.2
263.16415	4.3
265.17911	4.7
279.19434	1.0
301.59958	0.9
303.19644	1.3
303.22980	1.5
317.21136	4.1
331.22693	2.3
346.76010	0.8
387.28915	100.0
388.29257	10.7
396.19238	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2891
Annotation	Viminadione B
Peak:m/z	Relative Intensity
53.03933	2.2
55.05508	6.0
57.03430	1.8
57.07073	6.9
59.04989	4.2
67.05505	22.7
69.03430	3.0
69.07069	12.6
71.04996	2.1
75.69783	1.1
79.05488	10.4
81.06567	2.5
81.07057	50.6
82.07394	1.6
83.04961	2.9
83.08609	4.5
85.06502	1.6
87.04474	5.5
91.05493	4.1
93.07049	24.3
95.08611	23.9
97.06535	15.8
98.22621	2.7
103.15794	1.1
105.07017	7.2
107.04934	3.2
107.08590	26.8
109.06532	2.5
109.10147	19.8
110.26967	1.1
111.08080	10.3
119.08586	5.5
121.06501	2.6
121.10143	38.8
121.10995	2.5
122.10480	1.9
123.08053	3.6
123.11707	16.2
125.05988	8.9
125.09624	15.9
131.08560	1.5
133.10124	6.0
135.08087	3.2
135.11678	15.9
137.09583	2.6
137.13248	14.6
139.07536	4.3
139.11192	9.5
145.10129	3.6
147.11641	2.2
149.09625	14.9
149.13177	2.6
151.11185	28.0
152.11476	1.3
153.09123	5.1
153.12744	9.9
161.09592	2.9
163.11186	6.8
164.11980	3.0
167.10687	26.3
175.11214	2.0
177.07755	1.2
177.09102	8.4
177.12711	1.5
179.10715	3.5
181.12239	8.9
187.14877	2.3
191.10748	1.3
193.12274	5.6
195.10152	21.5
205.15910	2.1
207.13828	1.7
209.11786	3.7
221.15388	3.9
223.13258	3.8
223.16957	4.1
242.90494	1.2
249.14850	22.9
251.16432	99.9
252.16812	6.9
263.16409	4.2
265.17926	7.9
303.23227	2.7
309.18860	1.5
317.21140	4.9
331.22586	2.5
387.28937	100.0
388.29242	15.8
396.83743	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2893
Annotation	Viminadione B
Peak:m/z	Relative Intensity
55.01866	4.0
55.05512	8.4
57.07072	6.9
59.04976	5.0
67.05514	19.0
69.03428	4.7
69.07060	10.5
71.04972	3.0
71.31799	4.5
72.20152	2.9
73.61900	2.5
77.39066	2.7
79.05489	18.7
79.80669	2.3
81.07063	53.7
83.04979	5.6
83.08617	4.7
85.06551	3.0
87.04497	3.0
91.05477	9.8
92.05761	2.4
93.07048	34.6
95.04975	2.9
95.08603	28.2
97.06520	12.4
97.10129	3.1
105.07031	16.8
107.04934	8.3
107.08591	27.3
109.10148	14.7
111.08070	6.3
117.07039	4.2
119.08598	11.4
121.06508	5.5
121.09275	5.1
121.10146	61.4
123.08098	6.8
123.11691	9.6
125.06013	9.5
125.09619	18.3
131.08549	6.8
133.10124	9.8
135.08008	4.7
135.11681	11.9
137.09648	4.7
137.13274	21.1
139.11192	10.3
143.08594	3.6
145.10123	4.7
147.11755	3.6
149.09613	19.3
149.13304	3.9
151.11191	5.0
153.09111	12.7
159.08073	4.7
159.11737	3.2
163.11172	6.2
165.82948	2.6
167.10687	46.2
168.11044	5.4
171.11685	3.2
173.09213	2.3
173.13304	3.8
177.09122	15.2
181.12201	3.9
189.16328	3.4
195.10144	44.4
201.16394	3.1
237.14873	3.4
249.14795	8.2
251.16422	100.0
252.16718	7.3
324.58905	3.0
331.22598	8.4
369.31461	8.0
373.00418	2.5
385.25888	2.6
387.24228	3.8
387.28778	70.5
387.32361	7.6
388.29263	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	387.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.4
55.05515	3.0
56.87846	0.4
57.03437	5.2
57.07077	4.4
57.66284	0.4
59.04985	1.6
67.05161	0.6
67.05508	9.7
68.32462	0.4
69.03416	1.9
69.07063	4.3
71.04980	1.5
71.08633	2.7
75.04475	4.8
79.05503	4.0
81.07057	21.4
82.07379	1.0
83.04978	1.1
83.08634	2.9
85.05063	0.3
85.06543	0.7
85.10190	1.1
87.04472	1.2
91.05459	2.4
93.07050	9.4
95.04988	0.8
95.08607	14.0
97.06542	5.2
97.10178	2.0
99.04419	0.4
105.07039	2.9
107.04955	1.5
107.08591	9.1
109.06522	0.9
109.10153	10.0
111.08089	3.1
117.07032	0.7
119.08588	2.2
121.06504	1.5
121.10150	14.2
122.10467	0.6
123.08057	1.5
123.11716	6.5
125.06005	2.3
125.09628	6.2
131.07024	1.6
131.08592	1.0
132.63828	0.5
133.10147	2.3
135.08076	1.0
135.11688	5.4
137.09627	2.3
137.13255	7.9
139.07570	1.3
139.11177	4.8
143.08571	0.6
145.10097	1.2
147.11717	0.6
149.09610	4.7
149.13251	1.6
149.20515	0.4
151.11208	4.5
153.09155	2.5
153.12740	3.6
159.11711	0.8
161.09618	0.9
161.13229	0.4
163.11172	2.6
164.11990	1.1
165.12746	0.8
167.10667	9.6
168.11055	0.7
171.11861	0.5
175.11227	0.8
177.09068	3.0
177.26405	0.4
179.10651	1.1
179.14197	0.4
181.12213	4.2
187.14915	0.6
191.14285	0.4
193.12280	1.3
195.10197	7.9
195.13896	0.5
196.10544	0.5
205.15872	0.6
205.19482	0.8
207.13751	0.6
209.11726	1.6
209.15414	1.3
221.11700	0.7
221.15289	0.6
223.13306	1.3
223.16913	1.2
233.15315	0.5
235.13365	0.8
235.17061	0.5
237.14865	4.8
239.23653	0.8
245.05125	0.4
249.14873	7.5
250.15169	0.5
251.16420	44.6
252.16713	3.9
261.14819	0.6
263.16434	1.7
265.17999	2.3
279.19440	0.7
303.19598	0.6
303.23068	0.6
317.21082	2.9
331.22675	1.5
369.24283	1.1
387.28937	100.0
388.24728	0.9
388.29300	12.1
392.77261	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2893
Annotation	Viminadione B
Peak:m/z	Relative Intensity
53.03932	2.8
55.01870	1.9
55.05514	8.1
57.03435	3.2
57.07064	5.6
59.04997	4.3
67.05507	26.4
69.03425	3.6
69.07079	11.7
71.04994	3.4
71.08631	2.2
79.05495	12.5
81.07059	57.2
82.07375	1.7
83.04998	2.7
83.08625	3.8
87.04475	3.5
91.05473	7.3
93.07047	27.8
95.04958	2.2
95.08606	29.7
97.06535	15.9
97.10210	1.8
105.07035	8.6
107.04967	6.1
107.08588	29.7
108.08980	1.5
109.06528	2.6
109.10153	24.9
111.08084	10.4
119.08598	6.0
121.06523	3.3
121.10145	43.5
121.10996	3.4
123.08050	4.9
123.11700	22.2
125.05995	8.5
125.09634	14.8
131.08572	4.2
133.10126	5.7
135.08090	4.0
135.11694	16.1
137.09627	5.3
137.13260	10.8
139.07526	5.0
139.11153	12.7
143.08653	2.0
145.10149	5.5
147.11678	3.1
149.09619	13.8
149.13258	3.0
151.11186	20.6
153.09117	9.0
153.12778	11.3
159.11639	2.4
161.09628	2.7
163.11165	8.6
164.11961	3.3
165.12762	2.9
167.10678	34.9
175.11176	2.9
177.09132	8.6
179.10674	4.7
181.12244	13.0
183.10107	1.4
187.14738	2.3
191.10738	2.2
193.12297	3.1
195.10146	19.5
201.16309	1.6
205.15956	2.1
207.13928	1.5
209.11829	3.3
209.15445	2.4
210.12007	1.4
221.11586	2.6
221.15346	3.1
223.13326	5.3
223.17012	3.5
228.81177	2.1
233.15274	1.8
248.33195	1.8
249.14806	17.7
250.12654	1.7
251.16414	83.2
252.16861	5.9
263.16428	2.8
265.18002	5.9
317.21149	4.9
387.28934	100.0
388.29355	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	387.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	20.8
57.03408	5.4
57.07064	10.8
67.05492	10.0
69.07065	100.0
69.81664	4.9
71.08603	9.2
71.33614	7.2
73.06535	17.4
79.05472	14.7
81.07047	28.5
83.08611	15.8
91.05469	7.6
93.07027	20.5
95.08578	28.8
97.06499	19.9
97.10155	8.8
105.07006	11.8
106.04963	5.7
106.68948	5.2
107.04929	6.1
107.08578	13.1
109.10131	10.7
113.23196	5.5
115.07562	94.4
119.08596	6.5
121.10134	10.3
133.10149	6.7
135.11667	7.6
137.02289	6.8
137.05984	10.7
137.13269	5.9
143.08534	5.4
145.10129	8.1
161.13297	6.3
163.14806	5.9
167.07010	20.3
170.52112	5.3
183.11690	5.6
191.06883	6.4
202.83714	4.8
219.21094	8.2
237.22139	10.2
369.09616	12.4
387.40372	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	388.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24281	1.2
53.03953	6.0
54.04280	1.4
55.01875	8.2
55.05503	1.1
57.03436	4.1
61.02929	5.5
65.03951	2.1
68.99795	2.4
69.03430	32.3
70.49144	2.6
70.49497	2.3
71.04985	5.9
73.02908	7.1
79.05489	3.8
81.03414	24.0
81.07040	1.6
85.02904	100.0
86.03240	2.0
87.00830	42.9
91.03954	2.9
91.05474	5.1
93.07034	2.4
95.04960	5.8
97.02882	28.7
97.03464	2.1
99.04440	14.8
103.05460	3.4
105.01864	65.2
105.07027	13.1
107.04974	6.6
108.04485	3.4
109.02883	28.9
117.01871	4.6
121.06520	3.0
123.04459	4.0
126.05489	1.6
127.03911	69.3
128.04262	2.0
129.01811	2.8
129.07013	1.5
131.04916	2.5
133.06497	1.3
137.05959	6.0
139.03969	1.9
140.04694	1.4
145.04961	34.8
147.02910	2.6
149.05881	2.3
151.03900	4.3
151.07567	2.7
155.07108	1.7
159.02885	13.9
159.07779	1.7
161.06009	4.3
163.03966	2.5
163.07576	2.0
165.09190	1.7
166.09509	1.9
167.07014	12.1
168.07379	5.1
173.09676	1.4
174.10002	3.3
175.07559	2.2
181.05000	8.5
181.08601	8.3
182.08936	7.3
183.06525	1.3
189.03949	4.5
189.09044	2.4
191.07095	2.2
193.08563	1.4
195.07922	1.4
195.10078	2.9
201.09128	4.0
202.09442	4.4
207.06494	2.8
207.10182	4.1
213.03903	2.1
213.09148	2.0
213.31497	1.4
219.10269	1.6
231.04988	22.7
233.11751	1.6
234.12064	3.8
248.07721	3.8
249.05986	3.8
255.09846	1.2
321.03699	1.4
372.97427	1.3
388.15057	2.3
389.16135	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	388.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.5
55.01868	10.4
55.05500	5.3
57.03442	3.4
61.02927	2.8
65.03951	3.6
67.05490	5.9
69.03434	13.3
69.07062	7.5
71.04988	3.8
79.05503	10.9
81.03407	11.4
81.07044	12.1
83.04959	1.9
83.08588	3.1
85.02903	26.4
91.05484	9.5
93.07049	16.1
95.04961	7.4
95.08611	10.2
97.02888	8.3
97.06520	6.2
99.04457	2.2
103.05442	3.2
104.06227	5.8
105.07037	29.5
107.04952	20.2
107.08592	16.5
109.02885	7.1
109.06528	7.4
109.10191	2.3
111.08053	2.1
117.07033	3.3
119.04930	2.8
119.08598	5.7
121.06501	7.6
121.10171	9.9
122.03638	4.7
122.07268	2.4
123.04422	7.4
123.08051	3.9
124.05204	7.5
127.03905	8.1
127.07522	3.2
131.04926	6.4
131.08575	4.4
132.05685	6.3
133.06477	13.3
133.10127	4.4
135.04420	5.7
135.08052	7.2
135.11703	3.0
137.05975	45.4
138.06277	3.9
141.35294	1.8
145.10118	6.1
147.04382	3.3
147.08043	2.3
147.11783	3.8
149.05989	10.1
149.09608	3.7
150.05620	4.0
150.06766	55.5
151.03911	60.3
151.05002	5.0
151.07552	14.3
159.08078	4.5
159.11508	2.4
161.05968	6.8
161.09575	2.8
162.06778	10.8
163.03871	2.6
163.07536	17.8
163.11200	14.5
163.44325	2.0
165.09119	65.6
166.09470	2.4
167.07010	11.4
167.10692	7.0
169.08618	19.2
175.07556	4.9
176.08334	8.5
177.05400	3.0
177.09048	2.2
181.04956	38.2
181.08583	2.4
181.12262	5.6
189.09045	5.1
191.10666	43.5
205.08536	2.0
207.10173	2.5
209.11729	100.0
210.12030	3.9
216.11125	1.9
217.08687	1.9
219.10149	3.2
227.12708	11.6
235.09634	33.8
265.10706	17.3
353.16235	2.5
371.15131	2.2
388.14764	4.7
389.15948	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	388.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89816	1.1
53.03949	2.5
53.66768	1.1
55.01864	3.8
55.05516	1.7
57.03428	2.2
57.58955	1.2
59.05001	8.0
61.02917	2.0
65.03941	1.5
67.05499	5.0
69.03418	7.2
69.07045	4.1
71.04989	3.3
78.47224	1.2
79.05478	5.7
81.03439	6.8
81.07048	8.9
85.02911	17.4
85.06509	1.8
91.05450	6.5
93.07044	8.8
95.04950	3.7
95.08608	4.2
97.02886	5.8
97.06536	2.6
98.23341	2.7
99.04424	3.0
103.05466	2.8
105.07027	20.6
106.39860	1.5
107.04929	3.8
107.08585	10.2
109.02875	4.2
109.06539	2.8
109.10117	2.3
119.04989	1.6
119.08540	3.5
121.06510	2.9
121.10146	4.4
123.04427	62.4
123.08075	1.7
124.04689	1.5
125.05951	2.3
125.41399	1.3
127.03909	3.7
129.06982	2.0
131.04932	3.6
131.08566	1.9
133.06470	10.9
133.10132	1.9
135.08035	2.8
135.11708	2.5
137.05945	8.1
138.06282	3.0
139.03922	1.8
143.08563	1.5
145.04926	2.8
145.10083	4.2
149.05940	2.7
149.09605	4.1
150.03638	1.3
151.03903	5.6
151.07535	100.0
152.07927	4.1
153.05403	1.4
161.06032	2.0
161.09691	1.6
163.07513	2.6
163.11130	8.3
167.07011	5.8
167.10683	2.8
169.08623	12.2
175.07526	5.4
177.05510	2.7
181.04913	9.2
181.12302	1.9
183.06467	1.7
191.10666	4.2
195.10049	2.1
205.08534	1.8
207.06635	1.9
208.16983	3.9
209.08157	3.2
209.11720	30.3
209.13374	1.2
210.12129	2.2
219.10223	3.1
226.18019	11.5
227.12762	6.1
388.14575	3.8
389.15839	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.3
55.05519	1.9
57.07075	1.3
67.05511	4.1
69.03439	3.5
69.07078	1.9
77.03938	1.3
79.05491	6.0
81.03403	2.2
81.07055	4.7
85.02897	2.6
91.05476	11.6
93.07031	7.5
95.04976	2.3
95.08618	2.3
97.02913	2.0
98.74056	1.2
105.07028	16.2
107.04987	2.2
107.08583	15.2
109.06497	1.7
115.05440	1.4
116.30324	1.2
117.07047	5.6
119.08578	15.3
121.06547	1.9
121.10134	15.6
123.04420	1.3
123.08096	1.4
129.07001	6.0
130.07767	3.5
131.08566	22.4
133.10120	6.1
135.08044	5.4
135.11699	1.7
137.05978	2.0
143.08557	11.9
144.09325	3.7
145.10120	15.6
147.11649	7.7
149.09648	1.7
149.13278	7.6
153.05415	1.9
158.10889	14.0
161.05963	1.3
163.11162	1.9
167.07062	1.8
173.13261	23.0
175.07623	1.3
175.14839	10.1
181.04903	2.1
191.14299	100.0
192.13062	1.4
192.14687	4.9
270.78537	1.2
389.08224	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	388.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.0
55.01873	24.6
55.05509	23.7
65.03954	7.6
67.05506	20.8
69.03419	32.3
69.07068	26.7
69.40453	44.2
71.04983	17.1
76.64662	6.0
79.05488	33.2
81.03419	29.4
81.07053	41.4
83.04992	12.5
85.02901	17.8
85.06551	22.7
86.19427	6.3
91.05488	29.4
93.07061	58.7
94.93165	6.9
95.04973	17.3
95.08604	30.6
97.06541	27.9
99.04463	9.7
103.05463	8.9
105.07013	49.7
107.04986	15.9
107.08598	85.9
109.02878	25.5
109.06512	20.6
109.10196	14.9
111.04451	11.9
111.08050	11.7
117.07005	10.4
119.04956	10.3
119.08578	27.8
121.02935	7.5
121.06522	25.5
121.10138	49.9
123.04413	35.4
123.08015	14.8
124.05225	9.1
125.05994	11.7
127.03930	21.6
127.11291	6.3
129.06937	8.0
131.04955	11.9
131.08578	16.0
133.10144	77.4
135.04401	7.6
135.08038	26.0
135.11694	15.8
137.05969	34.2
138.06296	13.8
139.03888	13.6
145.06628	6.3
145.10143	24.8
147.04407	17.7
147.11711	26.4
149.06062	7.5
149.09628	13.2
149.13304	13.7
151.03894	35.0
151.07530	21.6
163.03874	8.6
163.07567	10.8
163.11153	68.9
163.14832	8.5
165.05461	15.1
165.09172	13.3
167.07071	26.9
167.10696	24.3
169.08614	100.0
173.09589	11.2
173.13298	21.0
175.07556	15.0
175.30968	6.5
177.05472	12.5
177.09048	10.7
179.07037	12.6
181.04938	33.6
181.12219	21.9
185.11742	8.4
189.09175	6.7
191.07051	11.5
191.10666	39.6
191.14305	79.8
192.14647	6.2
193.08620	21.7
207.06322	13.6
209.08080	11.2
209.11736	19.6
213.77693	6.5
217.08597	7.7
219.10199	23.7
223.07538	6.7
225.07614	7.6
227.12752	51.3
271.66776	6.4
299.09137	8.6
322.77975	7.1
327.12228	11.8
371.14835	12.2
388.14676	39.8
389.15854	34.5
403.74167	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	388.269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.9
55.01874	1.6
55.05513	7.7
57.03445	2.0
57.07068	1.7
60.81968	1.1
65.03927	1.5
67.05504	14.4
67.54846	1.1
69.03429	1.5
69.07063	12.2
69.36316	7.3
71.01332	1.3
71.04991	4.9
79.05493	20.1
80.05835	1.4
81.07052	17.6
82.18365	1.1
83.04993	3.8
83.08627	2.9
85.06532	1.9
91.05480	7.4
93.07039	23.1
94.07346	1.5
95.04989	4.8
95.08598	18.7
97.06494	5.2
97.10176	3.1
99.04468	2.7
105.07005	6.8
107.04967	4.7
107.08591	10.4
108.08937	1.9
109.06497	2.1
109.10149	13.6
111.04416	1.9
111.11721	4.2
117.07017	3.3
119.08585	10.7
120.08916	1.2
121.06526	4.4
121.10142	45.5
122.10458	1.7
123.08090	2.5
123.11709	1.8
125.05997	2.1
125.09654	2.6
127.11188	20.7
129.07008	2.3
131.04926	1.4
131.08517	5.5
133.06371	1.0
133.10141	3.5
135.04431	1.2
135.08069	3.0
135.11696	12.6
137.05983	2.4
138.06369	1.2
139.07562	2.7
139.11166	15.2
145.10112	10.6
147.11716	2.0
149.05988	1.7
149.09636	4.3
151.03893	6.2
153.09093	2.3
155.08516	1.4
159.11757	2.5
163.11192	18.5
165.09171	1.3
167.06999	1.2
167.10680	1.4
173.09660	4.2
181.04932	2.4
181.12267	5.2
185.11705	7.2
187.14859	1.3
189.11189	1.8
189.16177	1.2
191.10716	4.5
195.06526	6.9
196.06883	4.3
197.13377	1.1
205.86475	1.1
209.08008	1.4
209.11746	2.8
213.42842	1.1
217.08469	1.1
219.10039	1.1
227.12761	12.5
235.09682	3.0
245.13840	100.0
246.14120	5.3
309.07626	1.5
311.22174	1.4
327.08420	1.1
335.22159	7.2
341.06607	2.3
353.23373	3.6
356.08759	1.6
371.11179	9.8
371.18579	1.2
371.24405	7.9
388.29932	5.1
389.12097	2.7
389.19501	2.7
389.32361	2.3
410.93225	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.0866
Annotation	3,5-Dihydroxy-6,7,8-trimethoxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
55.05492	0.6
56.22448	0.3
56.75333	0.3
58.93390	0.3
58.93939	0.3
65.25221	0.3
67.05502	1.1
69.07053	0.7
71.31983	0.4
77.03917	0.4
79.05503	1.7
79.05879	0.4
81.07055	1.8
91.05473	1.4
93.07035	1.2
95.04969	0.9
95.08598	1.1
97.06525	0.5
103.05485	0.4
105.07024	1.6
107.08591	1.3
109.06532	0.6
109.10173	0.7
111.04427	0.5
111.76214	0.3
117.07014	0.4
119.04963	0.4
119.08576	0.8
121.06497	0.7
121.10140	1.0
123.04462	0.5
123.08069	0.5
129.07025	0.5
131.04913	0.6
131.08574	0.9
133.06497	0.6
133.10136	0.8
135.04503	0.3
135.08046	0.9
135.11639	0.3
137.05963	5.5
137.09595	0.4
139.03894	5.3
145.10107	0.7
147.04384	0.9
147.08076	0.5
147.11650	0.5
149.05974	0.8
149.09578	0.5
151.03928	2.0
151.07530	0.9
153.05489	0.3
155.07018	0.4
157.10141	0.4
158.03654	0.8
159.04391	0.4
159.11678	0.4
161.06064	0.6
161.09543	0.3
161.13364	0.4
163.07567	0.7
165.05466	7.8
165.09087	0.4
166.05836	0.3
167.07133	0.7
167.10699	0.3
171.11729	0.4
173.06001	0.6
174.03127	0.3
175.03853	0.6
177.09142	0.7
179.07048	0.6
181.04897	0.7
181.08557	0.3
183.04439	0.4
183.11667	0.5
185.06042	0.7
185.13254	0.3
186.03038	0.7
187.14798	0.4
189.01877	0.4
189.05507	0.5
191.07062	0.6
193.08629	2.1
195.06532	0.4
199.03925	0.6
201.05463	0.8
202.02554	0.6
203.03438	1.3
204.04208	1.2
205.05099	0.3
205.08604	2.3
211.03969	0.5
212.04669	0.4
213.05489	1.0
214.02600	0.8
215.03368	0.4
217.01266	0.7
217.04973	0.4
219.06543	0.4
223.09669	1.1
223.81972	0.3
227.03416	1.1
228.04256	0.5
229.05005	1.7
230.02113	0.3
231.02849	0.5
232.03613	1.6
233.04202	0.4
235.09621	0.9
239.03366	0.6
239.09087	0.5
241.05045	1.0
242.02112	2.5
243.02817	0.7
244.03635	0.7
245.00894	0.7
245.04356	0.7
247.05997	0.3
249.04002	0.6
249.11186	4.0
250.11716	0.4
255.02962	1.5
256.03635	0.9
257.00787	0.9
257.04446	1.9
258.01642	0.3
260.03094	1.5
267.03009	0.6
268.03482	0.4
269.01035	0.5
269.04425	0.8
270.01627	2.1
270.84482	0.3
271.02200	0.7
272.03195	0.5
273.00266	0.8
273.03775	0.3
275.02194	0.7
275.05475	5.8
276.05753	0.5
282.01633	0.3
283.02374	1.2
284.03110	0.6
285.00610	0.6
285.03891	3.1
286.01151	0.5
287.01797	1.3
287.04993	0.5
288.02606	4.7
295.02393	0.3
297.03986	1.2
298.01120	2.0
298.04663	0.8
299.01852	0.7
299.05316	0.7
300.02695	1.6
300.99820	2.0
301.03290	0.8
303.04922	0.8
312.02518	0.6
313.03403	19.8
314.00662	0.5
314.03796	1.6
315.01266	1.3
315.04700	0.7
316.02179	4.1
326.00882	0.6
326.04257	1.8
327.04816	2.0
328.02161	0.9
328.05801	1.0
328.99246	1.4
329.03003	1.2
329.06354	0.6
330.00040	0.4
330.03693	0.7
331.04462	24.2
332.04721	2.6
337.20218	0.3
341.02921	4.4
342.03320	0.4
343.01172	0.6
343.04517	2.0
344.01602	5.8
344.05441	0.3
345.02307	0.7
345.06158	1.1
355.04443	0.3
356.05267	6.2
357.05872	0.6
359.03964	59.8
360.04330	5.0
371.14807	0.4
373.05695	0.5
374.06308	52.5
375.06680	5.0
389.08649	100.0
389.26923	1.4
390.08987	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	389.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05637	6.5
64.64192	1.8
70.06586	24.3
71.31731	2.2
82.89175	1.6
83.00962	4.2
84.08142	1.6
97.07656	5.0
101.02003	7.5
112.03568	5.3
118.04655	3.4
119.01887	1.8
130.04623	3.4
140.06671	2.4
142.08289	9.3
144.05034	2.2
145.03500	3.1
152.06708	3.2
153.05032	2.2
154.08217	3.7
155.06607	12.2
155.62091	1.9
156.05165	3.0
157.10893	2.3
160.09294	4.5
163.55199	1.6
167.01743	1.7
168.06223	3.9
169.09344	21.7
170.07733	4.7
171.06194	4.4
171.10901	38.6
172.04272	1.6
172.09271	15.3
172.10799	2.4
173.07724	37.3
173.09155	2.7
175.11885	8.4
176.78000	1.7
179.07719	2.3
181.08582	1.7
186.07260	3.6
187.05746	3.3
187.10379	12.7
189.11949	42.1
190.12178	3.5
196.08167	2.4
197.03026	2.1
197.08919	19.7
198.07373	4.1
199.09265	5.3
205.08191	2.3
207.74353	1.9
215.09935	100.0
216.08290	11.5
216.10092	4.5
219.02051	2.8
223.09285	47.0
224.09438	2.8
225.07220	2.2
229.00436	2.0
231.07611	2.5
233.10931	43.3
234.11090	4.8
238.11475	2.7
239.03995	10.8
239.08600	2.6
241.10353	12.6
243.08322	3.4
249.07018	7.8
255.13033	3.3
257.05292	3.1
257.10876	2.6
265.11435	42.6
266.11517	3.9
267.08020	12.7
283.12488	14.4
285.10474	12.1
291.09473	4.6
309.10422	21.7
310.10657	2.1
327.11533	16.4
335.08496	7.8
353.09445	22.5
354.09326	2.1
371.10422	17.0
389.06769	3.1
389.11453	29.0
389.16000	3.2
390.11487	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
55.01882	1.0
57.03434	2.0
59.05000	0.8
61.02923	1.6
61.14571	0.6
63.99672	0.7
65.41059	0.6
69.03433	6.5
70.85880	1.3
73.02922	0.8
79.05509	0.9
81.03436	3.1
81.07062	1.2
83.04998	0.7
85.02898	15.4
88.61819	0.6
91.03938	0.5
95.04945	1.1
97.02903	4.4
98.97556	0.8
99.04445	1.0
105.07080	0.9
109.02880	2.1
109.06519	1.0
111.04459	1.1
121.10188	0.8
123.04422	9.3
125.02325	0.8
127.03915	2.8
135.04434	0.8
135.08031	0.6
137.06024	0.9
139.03896	2.3
140.04701	1.2
140.98111	0.5
141.05461	18.1
145.04993	2.8
147.04449	1.4
148.05132	0.7
153.05463	21.2
154.08647	1.0
165.05533	1.0
166.05026	0.7
169.31599	0.5
177.05455	0.8
181.08588	64.8
182.08955	3.2
191.07069	1.1
209.08087	16.7
209.11292	0.7
209.15469	0.7
210.11375	1.0
221.08154	0.9
227.09114	8.6
227.16510	0.7
228.09825	0.6
228.12279	0.6
233.08171	1.3
245.08110	1.1
251.09538	0.7
275.09119	1.0
371.16751	3.2
389.14023	6.6
389.17896	100.0
390.14011	0.9
390.18304	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1593
Annotation	4'-Demethyltraxillagenin
Peak:m/z	Relative Intensity
53.03938	3.2
55.01865	30.5
61.70571	2.7
65.03941	26.7
67.05505	9.1
69.03409	3.4
69.07079	2.8
71.34206	5.5
78.04703	4.3
79.05499	11.2
80.06188	3.1
81.03362	3.2
81.07032	5.9
82.04189	8.6
83.04942	3.2
83.72075	2.6
85.02902	9.5
91.05471	23.4
93.03436	8.2
93.07047	7.3
95.04952	16.2
95.08629	4.5
97.02919	3.2
97.06514	4.3
103.05466	13.5
105.07038	9.7
107.04935	15.4
107.05579	2.8
107.08570	4.3
108.02109	3.1
109.06583	2.9
109.71582	3.2
110.03658	11.9
111.04447	12.6
115.05423	6.9
117.06963	7.7
119.04916	6.0
119.08553	6.4
121.02871	12.3
121.06490	10.9
122.03661	4.7
123.04447	16.1
125.05948	19.8
128.06232	7.5
129.06990	17.0
131.04922	29.2
131.08572	6.0
133.02892	3.4
133.06496	6.3
135.04472	5.9
135.08005	8.6
137.05980	59.6
138.03105	6.3
138.06345	12.1
141.06966	6.6
142.02643	4.3
143.04950	4.1
144.05702	3.4
145.06490	11.6
145.10045	3.0
147.04433	7.4
147.08028	3.6
149.02365	3.7
149.05974	12.8
151.03900	7.0
151.07542	17.7
152.04411	3.2
153.05449	33.6
157.06512	14.7
159.08061	7.9
160.05180	5.1
161.05992	30.6
161.09607	4.9
163.03961	4.6
163.07524	18.3
163.11156	3.6
165.05492	6.4
165.07092	3.1
165.09105	6.6
167.07037	45.2
169.06441	4.0
171.06587	5.2
174.06738	13.5
175.07549	59.7
176.07881	5.1
177.05475	34.0
177.09059	3.4
178.06166	4.2
179.07018	9.7
179.08456	3.8
181.04961	100.0
181.06473	4.4
181.08525	3.7
182.07265	3.6
183.06544	11.0
183.08020	3.8
185.05856	3.3
187.07564	7.2
189.07304	4.2
189.09108	26.9
191.07043	9.5
191.08659	3.6
193.08600	9.4
194.09412	8.2
195.08147	7.5
195.10135	7.4
197.05951	3.3
201.09116	8.3
207.06465	5.1
207.08281	5.0
207.10211	8.5
209.06125	6.3
209.08052	49.7
210.06706	6.6
211.07469	6.7
217.06596	6.0
217.08629	9.1
218.07172	4.9
219.08051	6.7
219.10135	58.4
221.08078	8.6
223.07550	8.6
223.11093	3.2
225.09119	5.5
226.06133	3.6
227.07047	4.4
234.06816	5.6
235.07475	8.3
235.09700	8.5
237.09116	3.8
238.06358	4.6
239.06990	5.0
239.10600	3.7
240.07832	8.4
247.07439	6.9
248.08430	3.6
249.09041	10.5
250.09787	3.9
251.07008	6.6
251.10655	5.1
252.07779	6.2
253.08571	21.1
253.12283	4.6
254.09171	3.2
255.06563	4.0
255.10271	7.1
257.07883	4.6
261.09109	7.1
263.07004	5.8
265.08588	7.4
266.09506	3.8
267.09930	5.5
269.07971	10.0
270.09012	4.1
277.08472	14.5
278.05655	2.9
278.09164	4.8
279.10178	5.0
281.08148	5.7
281.11737	6.6
282.08749	3.6
283.09631	8.3
284.10193	3.3
285.11414	3.5
295.09641	5.8
299.12805	8.7
307.09674	6.9
309.11154	15.7
311.09235	3.7
311.12622	3.6
313.10696	11.4
313.14090	4.9
325.10721	5.0
327.12268	50.1
328.12561	9.5
331.15359	5.9
339.12198	21.1
340.12848	5.3
341.13763	12.9
357.13412	3.7
359.14856	27.5
360.15253	5.4
371.14758	15.6
372.15494	4.5
389.06586	3.6
389.15732	41.8
390.27304	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1592
Annotation	4'-Demethyltraxillagenin
Peak:m/z	Relative Intensity
53.03934	2.2
55.01871	35.8
65.03939	10.3
66.04702	1.2
67.05501	5.2
69.03429	2.5
69.03958	7.1
69.04393	5.1
79.05479	7.6
81.03423	1.5
82.04194	3.1
85.02901	5.9
89.32478	1.3
91.05493	4.6
93.03392	3.1
93.07058	1.6
94.04176	1.5
95.04974	4.9
95.08614	1.4
97.06525	3.2
103.05463	20.3
104.05756	1.5
105.07001	6.7
107.04967	9.3
108.02095	1.7
109.06529	3.2
110.03645	5.4
111.04420	2.6
115.05448	4.3
117.07004	2.8
118.91062	1.1
119.04964	3.3
121.06513	7.9
122.03650	3.4
123.04429	5.9
124.05227	1.6
125.06002	7.2
128.06229	2.4
129.07019	11.3
131.04938	21.0
133.06480	5.3
134.03624	1.4
134.68942	1.1
135.04378	2.7
135.08055	2.8
137.02400	1.5
137.05969	41.0
137.06978	2.2
138.03110	4.1
142.02588	4.3
143.04909	1.2
145.06465	6.0
147.04398	3.8
147.08051	2.4
148.05232	1.4
148.67258	1.1
149.05984	12.8
151.03886	1.5
151.07550	4.5
153.05467	25.2
155.07022	1.8
157.06537	7.5
159.04431	2.7
159.08031	1.3
160.05225	4.1
161.05984	21.4
162.06633	1.3
163.03891	3.9
163.07535	8.4
164.04568	1.4
165.09108	2.4
167.07031	32.0
171.06517	5.0
171.07904	1.5
173.06030	1.7
174.06773	5.1
175.07538	19.6
177.05466	36.5
177.09026	2.3
178.06177	2.5
178.71921	1.2
179.07001	4.0
181.04945	100.0
182.05286	5.3
183.06544	3.0
187.07503	2.8
189.07318	1.8
189.09097	11.2
191.07027	2.1
193.08621	11.4
194.09346	13.0
199.07555	1.8
201.09247	1.6
203.10626	1.6
205.06590	1.7
205.08600	3.0
207.06490	2.3
207.10159	5.0
209.08083	49.2
210.08437	3.0
217.06717	2.2
217.08527	7.5
219.08075	2.8
219.10022	2.4
221.08081	4.4
233.09659	2.0
235.07545	2.5
235.09648	11.7
247.07556	1.6
248.08348	1.7
249.09047	3.0
261.09094	3.7
262.06201	1.5
263.07083	1.4
264.07593	1.4
265.08441	1.9
277.08630	7.7
278.09290	1.5
279.10156	2.6
289.08490	1.3
293.11774	2.9
294.08548	1.5
309.11188	3.7
321.11224	2.7
324.05923	1.2
329.13776	1.7
339.12201	11.3
340.12903	1.7
341.13895	1.8
353.13788	1.7
357.13547	1.6
359.14935	2.8
371.14825	11.4
372.15152	1.3
389.15918	38.0
390.16309	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	389.1594
Annotation	Dihydrosinapyl ferulate
Peak:m/z	Relative Intensity
53.03938	3.6
55.01871	32.5
60.95289	1.8
65.03933	11.9
65.18681	1.5
67.05501	7.9
69.07081	1.7
69.27348	12.2
77.43336	2.1
79.05489	13.0
81.03371	2.4
81.07065	2.4
82.04180	3.3
85.02907	6.6
91.05479	9.0
92.05782	1.7
93.03381	4.0
93.07039	7.5
94.04182	2.8
95.04962	9.5
95.08639	1.8
97.06529	4.5
103.05458	16.8
105.04478	2.0
105.07021	6.0
107.04951	11.9
107.08596	3.6
108.02112	2.7
109.06527	3.5
110.03660	4.8
111.04455	3.4
115.05455	2.6
117.07000	4.4
119.04996	2.4
119.08609	4.3
120.11757	1.6
121.02882	1.8
121.06480	6.1
121.10112	3.6
122.03631	3.8
123.04432	8.3
123.08082	3.7
125.06038	2.5
128.06184	2.7
129.07040	8.9
131.04939	15.9
131.08563	2.4
133.06485	4.9
135.04375	1.9
135.08034	4.9
136.05145	2.3
137.05963	35.6
138.03091	2.3
138.06267	2.3
140.04688	2.8
142.02620	3.3
145.06517	6.4
147.04500	2.5
147.08066	3.1
148.05284	2.2
149.05977	11.2
151.03893	6.9
151.07556	12.9
153.05449	6.0
157.06487	6.9
159.08022	3.2
160.05161	3.2
161.05988	6.2
163.07578	12.7
163.11217	2.9
165.09085	4.8
167.03548	2.0
167.07031	55.5
168.07458	2.8
171.06534	6.1
171.07948	1.8
173.06007	1.9
174.06772	5.0
175.07533	44.8
177.05475	36.2
177.09209	2.1
179.07004	5.5
181.04953	100.0
181.08469	4.7
182.05331	4.3
183.06569	8.5
187.07532	4.2
189.09117	14.9
191.07076	3.4
193.08600	2.1
195.10106	13.4
201.09177	3.6
205.08598	3.7
207.06592	4.2
207.10266	2.4
209.08087	52.9
209.10037	3.1
210.08406	2.7
217.08650	7.5
219.08168	3.1
219.10127	20.2
234.06802	3.4
235.07477	2.1
235.09610	2.0
247.07506	2.6
249.08992	4.1
251.07130	2.8
260.60757	1.9
261.09164	3.2
263.06982	2.1
277.08563	7.0
279.09961	3.2
281.11658	2.3
293.11508	2.2
309.11151	3.2
313.10696	2.1
329.13889	4.2
332.47772	1.9
339.12222	11.5
341.13736	4.1
353.13397	3.0
357.13458	2.5
359.14905	3.4
371.14816	12.6
389.11139	2.9
389.15869	44.4
389.24127	3.8
390.16321	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	389.1594
Annotation	Tenellic acid B
Peak:m/z	Relative Intensity
50.63076	0.7
51.70949	0.6
54.76176	0.6
55.05500	1.6
55.83189	0.6
57.07075	1.0
67.05492	3.1
67.51162	0.6
69.03419	2.1
69.07069	1.9
69.62270	2.9
71.05002	0.9
79.05488	1.9
79.27818	0.7
81.07051	3.1
83.01368	0.6
83.04948	0.8
91.05449	3.6
93.07049	4.7
95.04939	0.8
95.08602	5.2
97.06522	1.3
98.22572	1.2
99.04459	0.8
105.07004	3.3
107.04951	0.8
107.08593	2.8
109.06544	0.7
109.10153	1.8
113.09646	1.3
119.04901	1.2
119.08572	5.1
121.06502	2.3
121.10117	1.7
123.04437	1.5
123.11662	0.9
129.06975	0.8
131.08553	4.1
133.10092	3.1
135.04347	0.9
135.08090	1.0
135.11647	0.8
137.05965	0.7
138.49948	0.6
142.07837	1.1
143.08572	3.1
145.06499	0.8
145.10107	5.2
147.04388	0.9
147.08029	0.6
147.11694	1.7
149.09590	0.8
151.07532	1.2
155.08569	0.7
156.09361	1.4
157.06450	0.7
157.10114	2.3
159.08038	2.9
159.11685	1.5
161.06020	1.4
161.09592	0.8
161.13202	1.1
163.07460	1.0
163.14983	0.8
165.05507	1.1
167.08594	0.9
169.10184	1.4
170.10893	0.7
171.08107	1.2
171.11714	1.8
173.09599	1.1
173.13277	0.9
175.07524	1.7
175.11125	1.0
175.14856	1.2
177.05370	0.8
177.16467	0.8
179.08504	0.9
181.10117	1.1
183.07939	1.0
183.11768	1.3
184.08890	1.0
185.05992	1.1
185.09601	2.2
185.13257	1.5
187.07526	4.4
187.14833	5.1
188.08289	0.9
189.05501	1.1
189.09122	2.2
191.07051	1.0
193.10138	1.7
195.11646	1.2
197.09575	0.9
197.13144	1.3
199.07600	1.1
199.11230	1.7
199.14931	1.0
201.12857	0.7
202.09879	1.0
203.07022	3.3
203.10713	1.7
205.08481	0.8
208.12408	1.0
209.09700	1.8
209.13362	1.0
211.07675	1.1
211.11159	1.1
211.14751	0.7
212.08342	1.8
213.05537	0.7
213.09096	3.1
213.16438	0.9
214.09857	1.1
215.07045	1.0
217.08533	3.8
217.12172	3.4
221.09720	1.5
221.13339	0.8
222.10141	0.7
223.14813	1.0
227.10651	6.4
227.14188	0.9
230.09401	1.8
231.06577	2.3
231.10220	3.1
236.12004	1.5
237.12666	1.1
239.10669	2.2
240.11398	1.0
241.04973	0.8
241.08601	1.4
241.12326	1.6
242.09158	0.8
243.06532	0.8
244.10760	0.9
245.11745	13.3
249.09222	1.6
250.09904	0.9
251.14348	2.3
253.08630	1.0
255.10161	8.7
255.13715	1.2
256.10809	1.3
257.11780	1.0
258.08865	1.7
259.09659	1.8
259.13284	3.5
261.12857	0.8
263.10480	0.9
264.11465	2.3
265.08771	1.1
265.12198	0.8
267.10074	2.6
268.10815	1.5
271.09573	0.8
273.11194	34.6
274.11600	2.9
279.13754	5.1
282.12451	1.6
283.09653	17.9
283.13226	4.7
284.10107	1.8
285.11203	1.9
286.08377	1.2
286.11594	0.9
289.12192	1.5
292.10947	4.3
293.22641	1.6
295.09610	3.9
297.14963	6.6
301.10703	12.5
301.14319	6.4
302.10983	1.6
307.13239	10.8
308.13666	1.0
310.11975	2.1
311.12509	1.5
313.10754	2.2
315.15842	3.5
325.14328	19.3
326.14590	1.8
329.10153	2.6
329.13861	4.0
335.12827	0.9
338.11575	0.7
341.09991	1.2
343.15408	23.1
344.15674	2.1
353.13809	40.7
354.14343	5.4
356.12561	7.0
371.14871	76.3
372.15286	6.6
389.15912	100.0
389.32065	6.1
390.16287	10.1
390.75494	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.178
Annotation	Unknow
Peak:m/z	Relative Intensity
69.35863	2.6
98.97497	0.4
121.10127	0.7
135.00557	0.4
167.07050	1.1
168.07382	0.5
169.07582	0.4
182.11803	0.3
203.05220	0.7
209.11546	1.6
209.15469	0.5
227.12543	5.3
227.16321	0.5
228.12405	1.5
345.15164	1.2
389.17807	100.0
390.18179	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	389.178
Annotation	Asn Gln Gln
Peak:m/z	Relative Intensity
61.65764	0.2
67.81667	0.2
70.61762	0.5
91.27284	0.2
95.39889	0.2
105.03400	0.3
107.44286	0.2
114.61340	0.2
126.50991	0.3
199.63222	0.3
203.05284	1.9
209.11504	5.9
209.13484	0.3
210.02747	0.2
227.12526	5.2
228.06795	0.2
228.12842	0.3
250.78358	0.3
389.17807	100.0
390.18127	6.1
395.10995	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19409	1.6
53.03949	7.1
55.01873	23.6
55.05512	5.5
57.03413	3.3
65.03918	1.8
67.05502	9.1
69.03429	21.0
69.07064	19.1
69.23439	14.1
71.05000	12.1
73.02921	3.0
77.03931	3.0
78.76309	1.8
79.05487	19.0
81.03423	34.1
81.07059	26.5
83.04987	5.6
85.02881	9.3
85.06538	7.9
91.05478	17.8
93.03420	1.9
93.07048	42.3
95.04996	8.5
95.08608	15.3
95.84806	1.8
97.02890	5.2
97.06528	16.0
99.04476	12.0
103.05454	4.1
105.07035	32.3
107.04961	10.0
107.08595	63.3
108.08864	1.7
109.02882	25.2
109.06522	19.5
110.81273	1.6
111.08099	6.2
113.06009	6.3
115.05463	2.6
117.07005	6.0
119.04961	3.1
119.08617	8.3
121.06512	19.0
121.10141	33.6
122.03621	2.0
123.04414	2.4
123.08051	11.0
125.05988	4.8
127.03919	16.8
127.07551	2.4
130.07782	2.8
131.04932	3.9
131.08572	3.3
133.06509	2.8
135.04469	2.4
135.08064	7.0
135.11674	14.0
137.05980	9.1
139.07538	2.3
139.11154	2.7
145.06487	2.4
145.10121	27.8
146.07246	3.4
147.04417	4.0
147.08060	6.4
147.11688	5.6
149.06009	3.8
149.09618	14.5
151.03940	2.6
151.07541	19.3
153.05489	5.5
155.08549	1.7
161.05954	4.7
162.06725	2.2
163.07547	12.4
163.11180	67.5
164.11540	2.8
165.05473	9.3
165.09117	4.6
167.07047	7.6
167.10683	29.0
169.08603	100.0
170.08849	2.5
173.09627	5.6
175.07561	4.3
177.05527	5.1
177.09053	3.3
178.09909	24.1
179.07053	3.8
181.04993	8.0
181.12245	19.4
183.06493	2.3
185.11726	7.3
189.09038	2.8
191.07056	6.4
191.10663	34.8
193.05034	3.1
193.08627	1.9
207.06490	3.8
209.11664	16.0
219.06534	1.9
219.10182	6.1
227.12776	53.9
228.13150	2.5
309.17624	1.8
353.15961	8.5
371.17365	9.2
389.15863	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	389.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.9
55.01871	19.8
55.05506	7.2
57.03438	4.5
57.07090	2.5
65.03933	4.6
67.05511	10.9
69.03429	18.9
69.07069	16.9
71.05010	9.8
71.31586	2.7
79.05500	23.8
81.02971	2.9
81.03419	39.5
81.07058	33.8
83.04961	7.0
85.02904	10.4
85.06539	9.9
91.05479	17.4
93.07047	49.3
94.87313	1.9
95.04961	11.0
95.08603	23.8
97.02892	8.1
97.06545	17.0
99.04453	13.6
103.05424	2.3
105.07029	31.3
107.04964	9.2
107.08594	60.2
109.02869	16.6
109.06521	16.5
109.10133	3.7
111.08070	8.3
113.05993	4.7
117.07034	5.5
119.08580	10.6
121.06518	15.7
121.10145	32.7
123.04409	2.5
123.08052	10.2
123.11710	3.2
125.05991	4.5
127.03931	15.8
127.07560	4.3
131.04984	2.8
131.08519	3.8
133.06506	4.5
133.10048	2.0
135.08073	7.0
135.11703	11.7
137.02284	2.2
137.05966	11.4
137.09547	2.3
139.11176	4.8
144.67023	2.3
145.06522	2.5
145.10132	26.0
147.07886	2.2
147.11697	6.4
149.05995	4.6
149.09615	17.2
151.03877	5.8
151.07570	15.1
153.12747	2.6
159.08096	2.6
161.05905	2.5
163.11177	59.1
164.11568	2.6
164.32895	1.9
167.07063	9.3
167.10677	27.9
167.68124	1.9
169.08609	100.0
170.08952	4.6
172.36108	2.1
173.09602	6.8
175.07596	3.9
177.05435	9.6
178.05833	5.8
178.09843	2.6
179.06964	4.2
181.04938	20.2
181.08705	2.2
181.12242	25.9
185.11731	8.2
189.09151	2.1
191.10654	35.1
192.10921	2.1
193.05145	2.6
193.08566	2.8
205.08585	2.3
209.11723	18.7
217.08559	2.8
219.10141	4.2
227.12767	44.7
228.13194	2.2
235.09630	4.6
263.07037	1.9
353.15894	6.9
371.16745	8.7
389.15836	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	389.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59419	1.9
53.03947	5.9
55.01857	14.0
55.05512	8.8
57.03427	5.2
67.05508	9.3
69.03430	21.6
69.07059	13.3
69.68518	10.9
71.04994	17.1
79.05489	19.8
81.03418	28.5
81.07057	33.8
83.04979	5.8
83.08593	2.6
85.02905	13.8
85.06544	7.3
91.05482	12.7
93.07044	45.3
95.04964	10.3
95.08603	26.7
97.02892	10.3
97.06522	16.4
98.23264	2.2
99.04446	21.9
105.07032	28.6
107.04958	2.8
107.08589	54.3
109.02883	24.3
109.06511	15.7
109.10165	4.9
111.08100	8.5
113.06008	4.3
115.05582	2.4
117.07037	6.0
119.08584	11.6
121.06488	14.9
121.10146	35.9
123.08076	17.1
123.11709	3.0
125.10424	2.1
127.03896	20.3
127.07563	4.8
129.07095	2.2
131.04950	2.9
131.08575	4.5
133.10143	4.9
135.08070	4.8
135.11681	11.3
137.05927	10.1
138.06329	4.6
139.03972	2.1
139.11226	4.3
141.09097	22.1
145.04874	2.5
145.10127	26.0
147.11687	5.4
149.05991	2.6
149.09616	17.8
151.07542	8.5
161.06084	2.4
163.11182	67.8
164.11604	3.3
165.09248	2.2
166.79327	2.2
167.07072	6.0
167.10680	31.3
169.08603	100.0
170.08940	3.5
173.09669	7.5
173.13393	2.8
175.07576	4.4
181.12206	21.4
182.24625	2.6
183.13878	2.9
185.11757	5.9
189.09123	2.5
191.10631	35.8
192.14818	3.3
209.08157	4.9
209.11739	21.6
209.15311	2.2
210.03227	2.3
210.12221	2.2
219.10139	2.6
227.09036	2.3
227.12759	36.7
227.16422	8.1
236.14896	3.2
282.73462	2.5
311.14944	3.0
351.96347	2.3
353.15912	9.6
371.17239	4.9
389.21265	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	389.1804
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
53.03945	7.7
55.01867	17.8
55.05513	7.3
57.03438	7.3
57.05617	1.9
57.07061	2.2
58.27854	2.3
65.03926	2.1
67.05490	12.9
69.03435	25.7
69.07071	19.6
70.27455	7.8
71.04987	18.2
79.05489	22.6
81.03409	38.4
81.07053	31.8
83.04971	5.9
85.02915	20.3
85.06542	9.2
85.54953	2.3
85.59592	2.4
86.71330	2.0
91.05473	17.2
93.07034	56.4
95.04957	9.8
95.08593	23.7
97.02911	12.4
97.06529	20.4
99.04440	33.5
101.06026	2.9
103.05418	2.2
105.07017	36.9
107.04961	5.0
107.08584	61.0
108.08887	2.4
109.02870	23.8
109.06493	19.8
109.10168	4.4
111.08076	8.7
113.05949	3.9
117.07007	6.4
119.04935	2.6
119.08571	14.5
121.06516	16.8
121.10123	39.8
122.10468	2.8
123.04455	3.0
123.08047	21.7
123.11735	2.4
127.03893	19.7
127.07545	6.0
131.08594	5.0
133.10120	6.5
135.08034	7.1
135.11652	15.3
137.02368	3.0
137.05940	12.8
138.06300	6.7
139.07536	4.0
139.11243	3.3
141.09100	20.8
143.08536	2.4
145.10129	31.9
146.10416	2.7
147.07997	3.6
147.11705	5.8
149.09605	24.5
150.05539	2.6
151.03938	3.0
151.07535	8.3
161.06094	2.4
163.07483	2.9
163.11171	74.1
164.11528	4.4
167.07056	8.9
167.10666	33.0
168.11047	2.2
169.08586	100.0
170.09018	3.0
173.09621	6.7
175.07567	4.1
181.04938	2.8
181.12222	25.2
183.13779	5.0
185.11752	6.8
189.08992	2.3
191.10667	43.8
191.14305	5.2
192.14667	4.2
193.08537	2.9
205.08508	2.3
209.08138	4.2
209.11716	22.4
209.15373	4.3
227.12761	58.6
227.16188	11.7
236.14938	7.0
311.14877	2.6
353.15961	11.8
371.16949	7.4
389.21564	6.1
390.24850	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	389.1805
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
53.03949	7.9
55.01868	22.3
55.02107	2.0
55.05514	5.5
57.03446	3.9
57.07074	1.9
61.56086	1.4
65.03938	2.6
67.05509	11.2
69.03434	21.4
69.07069	21.4
71.04991	8.4
71.31644	1.8
78.05296	1.3
79.05488	21.5
81.02963	3.1
81.03418	41.2
81.07059	35.2
81.07507	2.8
83.04986	5.2
83.08619	1.4
85.02907	10.8
85.06521	9.0
91.05469	15.5
93.07045	54.0
95.04947	7.8
95.08612	20.4
97.02898	6.5
97.06533	18.0
99.04459	15.8
103.05481	2.3
103.55910	1.3
105.07033	36.7
106.07308	1.6
107.04967	5.5
107.08592	63.1
108.08947	1.7
109.02880	24.8
109.06535	16.1
109.10114	2.5
111.04470	2.5
111.08081	8.1
113.05994	4.1
117.07013	5.9
119.04961	2.5
119.08578	11.3
121.06492	18.3
121.10146	35.2
123.04430	6.7
123.08067	10.0
125.05970	2.1
127.03902	18.7
127.07552	3.3
129.06976	1.7
130.07793	3.4
131.04962	2.5
131.08542	4.4
133.10109	3.0
135.08086	7.2
135.11687	13.0
137.05998	9.1
139.03871	2.1
139.07576	4.5
139.11205	4.9
143.08583	2.5
145.06572	2.0
145.10127	25.8
147.04390	2.3
147.08090	2.3
147.11693	5.0
149.05998	4.4
149.09616	18.5
151.03954	7.0
151.07590	14.6
153.05449	3.4
157.08603	2.9
158.07289	2.3
159.08055	1.5
161.06010	1.8
162.55370	1.6
163.07521	3.1
163.11182	68.9
164.11545	3.0
165.05484	2.5
167.07051	8.9
167.10684	30.9
169.08604	100.0
170.08980	3.5
173.09615	7.6
174.06776	1.8
175.07524	4.3
177.05467	2.5
179.07004	2.9
181.04950	7.5
181.12238	23.9
185.11719	7.9
187.05962	1.7
187.07541	1.8
189.09218	2.3
191.10666	37.8
193.08640	4.1
195.10168	2.2
207.06621	2.1
207.10185	2.0
209.08168	3.1
209.11728	19.7
219.10127	3.1
225.07529	2.8
227.12773	55.8
235.09709	2.0
244.51376	1.4
269.13797	1.5
309.16922	2.7
311.14905	1.9
345.13297	1.8
353.16116	10.5
371.17197	7.0
389.15958	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	389.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.7
54.46310	1.1
55.01869	2.1
55.56120	1.0
60.45522	0.9
67.05503	1.0
69.27977	7.8
70.51579	0.9
79.05505	10.0
81.07059	1.7
91.05481	10.1
91.74440	0.8
93.07050	5.2
94.31154	0.9
95.04976	3.6
103.05464	12.6
105.04483	0.9
105.07026	19.2
105.07724	1.3
107.04951	50.2
115.05455	8.5
117.07047	3.2
118.04195	1.1
119.04948	1.7
119.08590	1.8
120.05748	1.6
121.06494	10.0
122.03677	1.3
123.04447	2.6
124.05243	1.9
125.06003	1.3
128.06226	7.9
129.06990	3.3
131.04933	3.8
132.05684	1.2
133.06491	20.5
135.04419	1.7
135.08041	12.8
137.05974	7.9
137.24182	1.0
142.07771	1.6
143.04941	2.1
143.06006	1.5
143.08548	15.7
145.06500	3.5
145.07582	1.3
146.07254	2.6
147.04436	3.3
147.08035	1.7
149.05994	2.2
151.03929	4.8
151.07574	1.4
153.05487	2.1
154.06250	2.5
159.08066	1.1
160.08803	2.9
161.06009	11.1
162.06502	0.9
163.03902	12.7
163.07526	17.1
165.05582	1.8
165.09096	1.6
166.06284	2.4
167.07036	30.4
171.08063	10.0
173.05994	1.5
174.06735	1.0
175.07581	3.6
175.11160	5.4
177.05586	1.5
177.09023	1.1
178.04698	1.6
178.06244	21.8
179.06822	1.0
180.07880	4.3
181.05031	2.1
181.08585	23.9
181.10056	1.5
182.09056	1.3
188.08322	1.6
189.09061	1.4
191.07021	4.6
193.08618	21.2
194.09222	2.3
195.10159	100.0
196.10550	4.7
203.10632	18.1
204.11189	1.6
205.08600	2.8
206.09424	1.7
207.10175	3.7
209.11723	1.5
220.10988	3.6
235.09592	3.6
235.13277	38.7
236.13593	2.8
325.14661	1.9
329.17438	1.2
357.16922	2.7
389.19571	2.2
405.99622	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.7
55.05513	1.9
57.07076	6.8
58.02853	1.2
59.05001	2.0
65.03925	3.3
67.05507	3.9
69.03434	1.4
69.07060	3.1
70.91705	2.2
71.04996	2.2
71.99438	1.2
75.89862	1.5
79.05491	7.4
81.07055	4.7
83.04968	1.6
85.06544	4.2
91.05476	10.7
93.03424	6.3
93.07050	5.5
94.04194	3.3
95.08605	4.5
103.05466	4.6
105.07027	18.0
107.04977	3.0
107.08572	2.4
108.05692	1.4
109.06533	4.2
109.10149	3.1
111.04445	2.9
112.68443	1.2
113.05946	1.5
117.07007	4.3
119.04935	7.8
119.08586	4.8
121.06549	3.6
121.10130	1.6
122.03619	6.6
123.04424	2.1
125.05997	8.9
126.00730	1.3
128.06253	4.1
131.04939	3.7
131.08554	3.2
133.06483	15.6
133.10118	4.0
135.04410	2.6
135.08046	3.3
135.11676	2.2
136.05228	3.4
137.05977	100.0
138.06697	5.8
139.03918	1.7
139.07593	2.2
143.08562	12.5
145.06499	10.2
145.10138	3.6
147.04361	4.0
147.08047	5.0
148.05200	6.0
149.09616	2.1
151.03914	54.8
151.04938	2.7
151.07535	21.0
151.11298	1.7
152.04462	2.5
152.08006	1.5
153.05467	12.3
154.06274	9.4
155.07062	1.3
157.10017	2.7
159.08084	2.9
159.11618	1.5
161.13193	1.8
162.06763	6.2
163.07562	3.9
163.74359	1.6
165.05492	9.7
165.09119	19.0
166.06232	16.5
167.07047	2.6
168.07805	3.2
169.08647	14.9
171.08049	15.6
171.11658	2.1
172.08754	1.5
173.09558	1.9
175.07553	2.7
177.09149	7.1
178.09901	6.2
179.07063	3.5
179.10593	1.8
180.07816	5.1
181.05045	3.1
181.08601	78.9
182.08945	3.6
187.14784	2.1
188.08344	11.9
189.09119	2.3
191.10811	1.5
194.09355	11.1
195.06503	14.2
195.10152	24.8
197.08080	8.8
203.10674	41.0
203.12213	1.5
204.11337	2.3
205.12245	3.3
209.11693	26.7
209.13507	2.4
216.11453	5.2
217.08517	2.5
217.12192	2.8
219.13808	4.9
221.11723	47.0
222.12086	3.1
225.11139	2.3
227.10660	1.9
232.11160	2.1
235.09651	3.3
235.13251	3.8
239.09073	1.7
241.12027	1.5
247.13297	5.5
265.11761	2.3
265.14386	25.4
266.14697	2.2
301.14377	1.8
340.16562	2.7
346.81784	1.5
371.14545	2.4
371.18539	4.9
389.15555	3.0
389.19827	3.1
389.27603	1.7
389.32019	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	389.2167
Annotation	Debiloside B
Peak:m/z	Relative Intensity
52.61545	3.9
53.03938	6.7
55.01880	9.8
55.05513	8.3
57.03436	11.8
61.02926	8.2
67.05498	15.1
68.57275	3.6
69.03133	3.9
69.03444	32.0
69.07082	10.9
69.21082	4.8
70.33673	10.3
70.33994	4.7
71.04987	31.7
79.05495	16.8
81.03409	21.8
81.07053	32.8
83.04970	9.0
83.08617	6.3
85.02900	43.7
85.06544	15.6
91.05478	22.9
93.07046	37.4
95.04971	32.7
95.08607	21.5
97.02902	18.9
97.06517	20.3
99.04456	100.0
103.05480	5.9
105.07015	36.4
107.04949	12.3
107.08598	50.9
107.42638	4.8
109.02874	17.7
109.06514	30.5
109.10152	19.3
111.08062	9.0
113.09646	9.2
115.07570	4.6
117.06973	6.7
119.08569	14.4
121.06540	13.0
121.10157	32.3
123.04482	5.8
123.08060	21.8
123.11699	14.3
125.09654	8.6
126.02053	4.1
127.03936	19.0
130.99907	5.6
131.08591	11.7
133.10121	47.4
135.08051	13.7
135.11707	7.3
137.05969	19.3
139.11203	9.6
145.05038	8.1
145.10139	16.6
147.11699	18.3
149.06012	5.4
149.09631	35.3
149.13159	9.0
151.07564	11.1
153.09138	9.4
163.11176	31.8
165.05400	5.5
165.12668	5.6
167.07019	14.8
167.10686	18.5
169.08620	40.6
169.12247	13.3
171.10149	10.4
173.13258	19.0
175.07529	8.8
179.06981	5.9
181.12251	11.4
183.13788	28.2
191.10616	10.3
191.14305	20.6
205.29469	4.3
209.11751	9.6
209.15366	52.1
210.15776	5.4
227.12773	20.0
227.16408	84.4
228.16847	5.5
312.85248	5.1
339.09155	6.5
389.12543	4.7
389.21329	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	389.2167
Annotation	Breyniaionoside D
Peak:m/z	Relative Intensity
55.05494	10.5
65.71090	7.5
67.05506	9.5
69.03433	16.8
69.07068	10.7
70.61736	15.6
70.62075	10.2
79.05485	17.9
79.46422	6.9
81.07047	28.7
85.02908	10.0
85.06538	18.2
91.05477	16.4
93.07048	29.1
95.08630	17.8
96.47020	6.7
98.97601	11.4
105.07043	28.5
107.08592	76.2
109.10127	18.3
112.59919	7.0
119.08591	27.8
121.06483	14.5
121.10146	35.0
123.08102	10.2
131.08539	21.3
133.10150	38.1
135.08109	8.8
137.09608	11.0
139.11200	11.0
145.10156	11.9
149.09641	30.1
149.13255	41.7
149.65044	11.3
151.11172	15.5
157.10260	7.7
163.14812	16.8
167.07129	13.0
167.10663	9.4
173.13275	29.5
191.14297	100.0
209.11620	8.4
209.15367	35.6
222.63332	7.2
227.16373	44.4
255.01790	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2169
Annotation	Sedumoside I
Peak:m/z	Relative Intensity
55.05507	5.7
61.47258	4.8
69.03413	7.2
70.32556	5.2
70.32878	11.1
70.54968	4.6
79.05478	7.1
81.07094	5.3
83.04989	7.3
85.02905	12.0
86.09705	4.6
91.05468	6.9
93.07034	9.8
95.04922	7.3
96.82413	4.4
97.02848	6.2
97.06532	100.0
104.00738	4.8
105.07009	6.4
107.04936	13.3
107.08574	13.3
109.06513	18.8
109.10181	5.7
110.03234	4.3
119.08562	7.5
121.10146	9.1
123.04394	10.3
127.03895	6.0
131.08585	7.2
151.11214	7.0
163.11107	5.2
163.14867	5.6
167.06992	11.8
167.10783	7.2
169.12302	5.8
173.13232	5.6
175.07571	6.3
191.14313	5.3
209.11717	8.3
209.15251	6.5
227.12759	31.6
227.16541	6.3
389.17526	7.6
389.21759	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.7
57.07080	7.9
64.33482	0.8
65.03932	1.1
67.05503	3.7
69.07072	14.2
70.82410	1.1
70.82759	1.2
71.04984	1.2
71.08636	9.7
72.17415	0.7
79.05488	2.4
81.07043	4.7
83.08625	1.4
91.05496	1.7
93.03386	1.2
93.07043	3.7
95.04996	1.0
95.08624	4.0
97.06488	1.6
105.07024	2.6
107.08587	2.8
109.10162	3.6
111.11746	1.5
111.95610	0.8
119.08601	1.9
121.02876	5.4
121.03705	0.8
121.10148	2.8
123.11706	1.7
125.05933	1.3
133.10103	1.1
135.11700	1.3
135.60564	0.9
137.05981	0.8
142.32883	0.8
145.10120	1.1
149.02344	100.0
149.13318	1.0
150.02715	3.9
167.03412	13.9
179.10829	0.9
187.11020	0.7
213.16463	0.8
235.16928	0.8
253.17941	5.9
302.91135	0.8
389.17773	1.3
389.30527	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	389.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.0
55.05510	9.9
57.07067	8.6
59.05003	4.4
67.05500	25.6
69.03421	6.1
69.07067	24.6
70.06578	2.0
71.04994	20.5
71.32777	3.0
74.80032	1.7
79.05483	13.2
81.07056	27.9
81.56358	2.1
83.04958	3.4
83.08618	10.8
85.06546	9.6
87.04467	3.7
91.05463	18.9
93.07037	42.3
95.04960	6.4
95.08601	45.7
97.06537	9.3
97.10161	4.0
97.13337	2.3
99.04469	2.7
99.08111	3.7
103.05507	2.3
105.07033	24.7
107.04951	8.5
107.08597	36.0
109.06522	8.1
109.10158	50.8
110.10493	2.1
111.08106	5.5
117.06998	5.2
119.04931	2.1
119.08569	25.9
121.06500	7.3
121.10143	77.0
122.10422	3.2
123.04410	2.6
123.08060	7.8
123.11721	8.5
125.05984	6.8
125.09628	12.2
129.06963	2.9
131.08560	15.9
133.10114	20.6
135.08029	5.9
135.11684	15.6
137.06003	2.3
137.09595	12.3
137.13281	5.2
139.11191	10.1
142.07761	2.5
143.08589	8.0
145.10109	20.4
147.08057	4.1
147.11696	11.0
149.09615	13.1
149.13249	4.7
151.07590	4.3
151.11200	6.0
153.09128	5.5
155.08560	5.0
157.10152	10.3
159.08092	2.3
159.11714	9.6
161.09592	4.2
161.13277	5.7
163.07607	2.5
163.11185	4.1
163.14850	5.3
165.09248	2.4
166.01028	2.0
167.10672	20.5
169.10146	5.1
171.11746	5.0
173.09541	3.1
173.13251	7.6
175.07597	2.1
175.11235	3.8
175.14832	3.8
177.09099	13.8
177.12805	3.3
177.16382	18.2
179.14296	2.7
181.10127	2.3
181.12308	4.6
183.10222	3.0
183.11642	2.7
185.13225	8.2
187.14781	17.2
189.12677	2.3
189.16347	10.6
191.10768	2.8
193.12263	2.9
195.10217	14.4
195.17404	10.7
197.13214	3.8
199.11322	2.8
199.14825	6.5
201.12827	2.2
201.16298	4.6
203.10600	2.1
205.12253	4.4
207.11966	2.3
207.13831	3.5
207.17471	4.4
209.11583	11.0
209.13443	3.4
211.09576	2.6
211.14803	4.3
213.16429	4.3
215.14307	2.5
215.92662	2.3
217.08476	2.1
217.12277	2.6
219.13863	4.5
221.11617	2.1
223.13034	2.5
225.16246	3.4
227.17889	2.3
231.17397	2.8
233.15402	2.5
235.13258	10.4
237.14772	7.8
239.18005	2.6
245.15382	2.8
247.13197	2.6
249.14841	3.3
255.21298	2.6
257.19086	3.5
263.16455	3.2
273.22009	2.2
275.20316	2.2
275.23508	3.2
285.18378	3.4
291.19604	3.3
293.22549	3.7
301.18170	3.8
301.21658	5.3
303.19592	18.7
303.22830	2.7
315.19479	7.0
319.19260	3.8
319.22635	26.2
320.22897	2.5
321.20587	4.5
331.22568	2.6
333.20618	7.2
353.24649	2.6
361.27307	3.5
371.25861	36.2
372.26053	4.2
389.26840	100.0
389.31927	24.2
390.27664	12.7
390.35880	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	389.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.8
55.01860	13.2
55.05511	100.0
56.64648	5.7
57.03437	17.8
57.07067	10.8
58.06207	5.9
59.23879	5.7
65.03945	7.2
67.05506	49.7
69.03410	10.3
69.07063	42.0
71.04985	11.1
71.31560	8.3
79.05486	33.4
81.07057	77.7
83.04974	24.6
83.08620	50.5
89.41502	6.5
91.05486	69.3
93.07058	48.9
95.04960	14.7
95.08598	54.6
97.06548	8.1
99.04456	12.0
99.08154	6.5
105.07034	41.0
107.04954	29.3
107.08586	38.4
108.08134	7.4
109.06517	19.8
109.10139	27.6
111.04447	14.1
111.08108	14.2
111.11749	6.6
117.07034	16.7
119.08608	31.9
119.09312	5.6
121.06509	12.1
121.10136	34.0
123.08072	12.5
123.11720	16.4
125.06001	14.9
125.09601	6.4
129.07013	6.8
131.08566	26.6
133.10118	26.2
135.08049	12.4
135.11679	29.1
137.05965	15.6
137.09589	9.4
137.13251	20.4
142.77565	5.8
143.08536	11.6
145.06476	6.8
145.10130	11.0
147.08080	45.4
147.11690	17.4
149.02348	34.8
149.05931	6.5
149.13208	8.2
151.07562	6.1
151.11194	6.6
151.57159	6.0
153.05577	7.7
157.10101	12.4
159.08081	14.4
159.11739	10.0
163.11159	9.5
163.14885	6.2
171.11716	11.2
171.87651	6.1
173.13322	7.4
175.11221	13.3
177.09137	10.1
177.12709	9.0
179.06981	8.4
187.14796	8.8
189.09108	6.6
193.12260	9.4
207.13760	9.8
217.12323	14.0
220.40334	6.0
233.15289	20.1
235.13307	24.9
237.14713	7.9
250.93166	6.1
253.14346	22.0
260.81537	6.6
271.16959	8.4
289.17917	41.3
371.25784	14.1
389.26633	41.3
389.30597	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	389.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72696	2.9
53.03940	7.6
53.09880	2.5
53.86483	2.4
55.01867	3.8
55.05522	13.5
55.78302	2.8
57.07074	6.8
59.05005	7.4
64.25321	2.4
67.05504	29.9
67.95985	2.3
69.03428	7.9
69.07066	20.3
71.04980	7.2
79.05495	31.0
79.27489	2.3
81.07055	42.0
83.04974	6.8
83.08609	7.6
85.06542	5.1
87.04474	4.9
91.05492	23.4
91.11590	3.0
93.07047	59.4
94.07359	2.6
95.04977	4.2
95.08599	36.5
97.06528	12.6
97.10161	4.1
105.07020	28.5
107.08583	62.2
109.06511	7.4
109.10151	26.7
111.08082	10.7
117.07008	3.1
119.08591	28.3
121.06502	8.3
121.10143	57.2
122.10490	2.8
123.04401	2.7
123.08076	7.2
123.11687	22.1
125.09595	7.2
129.07010	2.7
131.08580	8.2
133.10127	25.9
135.08006	6.7
135.11691	83.6
136.12024	4.6
137.09613	79.5
137.13203	6.4
138.09935	4.3
139.07547	3.0
139.11171	36.7
141.49582	2.6
143.08577	9.2
145.10063	13.4
147.08002	6.8
147.11668	12.1
149.09593	18.8
149.13235	8.1
150.10437	9.6
151.11172	8.8
157.10072	4.5
159.11711	8.7
161.09625	9.8
161.13249	5.7
163.11121	6.3
163.14842	5.5
165.09090	7.7
167.10715	16.7
169.10258	2.7
171.11725	5.9
173.13318	7.3
175.11185	4.0
175.14882	2.9
177.09105	5.1
177.16376	4.2
179.10683	13.8
185.13264	4.4
187.14854	8.2
189.12756	5.1
189.16289	5.8
191.14310	7.2
193.12207	7.5
195.10159	5.4
199.14769	7.0
201.16356	4.1
207.13794	6.9
209.11630	2.9
209.13579	3.5
209.15376	13.1
213.16319	4.5
217.12454	3.7
221.15283	14.6
223.13080	2.7
225.16293	3.1
233.15332	3.6
235.13264	68.9
237.14825	100.0
238.15160	7.6
240.05859	2.6
245.11809	4.2
249.14804	21.1
251.16376	4.1
253.14317	2.9
261.14896	3.4
263.12799	3.4
273.11243	3.2
273.13962	3.5
275.16364	6.1
287.16400	4.8
289.18085	5.1
301.21423	6.4
303.19485	3.1
309.62338	2.8
315.19577	3.8
319.22781	4.6
371.14612	2.8
371.25717	18.1
389.26819	30.2
389.31921	21.9
390.26947	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	389.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.5
55.01854	2.3
55.05509	18.3
57.07061	8.4
57.09346	1.8
59.04994	5.6
62.97439	1.8
65.03936	3.5
67.05508	32.2
69.03426	6.8
69.07070	26.4
71.04974	5.9
72.05355	2.2
73.84089	1.9
79.05489	32.1
81.07055	54.7
82.07410	2.1
83.04984	6.9
83.08632	9.2
85.06536	3.3
85.70737	1.9
87.04461	4.3
91.05473	27.6
93.07046	64.3
94.07365	2.7
95.04955	6.5
95.08604	47.4
97.06540	15.1
97.10174	3.3
98.23450	3.5
99.04426	2.5
105.07023	39.3
107.04963	2.9
107.08592	57.5
109.06514	8.1
109.10155	26.4
111.08066	10.6
117.07012	6.4
119.08576	30.0
121.06525	5.6
121.10146	50.3
123.08057	7.6
123.11695	23.4
125.06006	4.3
125.09604	7.1
129.07008	7.1
130.07777	1.9
131.08580	15.3
133.10126	30.6
135.08034	8.1
135.11690	100.0
135.52869	2.1
136.12022	6.6
137.09618	87.5
137.13252	5.4
138.09955	3.0
139.07550	4.4
139.11188	32.0
142.07841	2.1
143.08551	12.7
145.10139	21.3
147.08049	7.0
147.11707	13.9
149.09581	14.4
149.13214	12.2
150.10335	5.4
151.11174	11.6
153.09068	3.5
153.12718	2.8
153.52448	1.7
155.08611	3.9
157.10132	12.7
158.10886	4.9
159.11696	11.3
161.09605	9.0
161.13249	8.1
163.07510	2.0
163.11162	3.1
163.14839	6.5
165.09151	4.3
165.12762	4.1
167.10695	14.9
169.10100	5.8
171.11688	9.6
173.13255	12.1
175.11177	4.7
175.14827	4.6
175.27835	2.1
177.09097	2.9
177.12598	1.9
177.16353	3.8
179.08437	2.0
179.10710	8.2
181.10155	4.6
183.10266	2.2
183.11722	7.8
184.12518	2.3
184.14182	2.0
185.13277	8.3
187.14827	11.6
189.12718	3.7
189.16364	10.2
191.10710	3.6
191.14291	8.1
193.12236	11.1
195.10191	4.3
195.11768	4.2
195.13875	2.8
197.13313	3.0
199.14812	7.1
201.16354	4.8
203.14355	3.5
203.17889	4.9
207.11865	4.0
207.13840	8.7
207.17580	2.4
209.11623	3.5
209.13449	3.7
209.15291	11.3
211.14774	3.0
213.16425	6.8
215.17883	3.1
217.15913	2.6
219.13759	3.8
221.15317	11.8
222.22740	1.9
223.14841	5.3
225.16399	4.5
227.14238	2.5
227.17943	5.5
231.17458	5.4
233.11546	2.2
233.15244	2.5
235.13264	67.0
236.13602	4.6
237.14825	95.0
238.15193	6.7
239.17870	3.5
249.14848	25.1
251.16231	4.5
265.19617	6.0
275.16159	1.9
283.20392	2.4
287.16473	2.4
289.17947	5.5
293.22745	4.0
296.85068	1.9
301.18076	3.0
301.21558	3.8
303.19403	4.3
315.19669	5.9
319.23209	3.8
329.21246	2.9
333.25674	3.0
371.25748	22.0
371.29507	2.3
372.26016	2.2
389.26825	30.6
389.31967	57.3
390.27438	2.7
390.32285	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	389.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.2
55.05500	3.4
57.07078	3.8
59.05002	1.7
63.83757	0.7
65.03952	3.5
67.05504	100.0
68.05840	1.6
69.03429	1.9
69.07075	6.3
71.04988	1.6
79.05485	8.9
81.07055	76.2
82.07401	2.0
83.08627	2.5
85.06549	1.0
91.05473	5.3
93.07041	11.4
95.04960	1.6
95.08604	14.6
96.08943	0.7
97.06538	5.8
97.10180	1.6
98.22509	1.3
105.07018	6.9
107.08598	10.0
109.06499	1.1
109.10131	6.3
111.08099	1.6
119.08570	7.2
121.10143	13.1
123.08115	1.7
123.11703	68.9
124.12061	2.8
125.09647	1.5
129.06979	1.2
131.08591	2.6
133.10118	8.4
135.08055	1.8
135.11681	7.1
137.09608	13.6
137.13332	1.1
139.11172	8.0
143.08614	2.6
145.10175	3.0
147.08086	1.2
147.11684	3.9
149.09592	2.9
149.13274	3.3
150.10391	1.8
151.11186	3.8
153.09181	1.4
155.08600	1.0
157.10147	2.2
159.11691	2.1
161.09668	4.7
161.13264	1.4
163.11194	1.5
163.14836	1.8
165.09126	1.3
167.10710	3.5
168.81335	0.8
169.10138	1.8
170.10779	0.7
171.11693	1.7
173.13246	2.2
175.14815	1.5
177.09151	1.0
177.12766	1.8
179.10710	2.6
179.14261	1.2
183.11708	0.9
185.13339	1.4
187.14876	2.4
189.12743	1.9
189.16321	3.6
191.14302	2.1
193.12299	2.2
193.15817	0.8
197.13298	1.1
199.14937	1.0
201.16342	1.1
203.14333	5.0
207.13794	1.9
209.13524	1.0
209.15466	2.4
213.16426	2.0
221.13254	1.6
221.15366	23.7
222.15724	2.3
223.14975	1.4
225.16412	1.4
227.17996	1.7
231.17416	1.3
235.13263	14.4
235.15364	0.9
236.13605	1.1
237.14824	15.8
249.14850	45.1
250.15105	3.8
254.45560	0.8
273.21967	1.1
293.22537	1.2
301.21768	2.0
315.19495	1.5
329.21045	1.2
353.24759	0.9
371.25735	20.0
371.29971	1.4
372.26114	3.0
389.26865	19.4
389.32010	12.5
390.27213	2.9
390.32269	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77105	0.8
53.03946	1.1
53.36143	0.8
55.01873	1.2
55.05495	3.3
55.57814	0.9
57.07069	2.7
59.05002	1.7
65.03937	2.8
67.05506	100.0
68.05833	2.4
69.03413	1.7
69.07076	5.7
71.04988	1.8
72.47360	0.8
78.54214	0.9
79.05490	9.1
81.07058	72.6
82.07384	1.5
83.04977	2.3
83.08622	1.6
91.05480	3.6
93.07046	9.1
95.08608	10.1
97.06529	5.6
97.10213	0.8
105.07024	4.8
107.08586	7.3
109.06519	1.5
109.10162	4.8
111.04401	1.3
111.08064	2.0
119.08559	4.9
121.06454	1.1
121.10143	12.1
123.08109	1.7
123.11710	67.0
124.12038	2.2
125.09621	2.0
133.10133	8.3
135.08134	1.5
135.11687	6.3
137.09634	13.1
139.11182	8.2
143.08572	1.5
145.10092	1.4
147.08063	1.2
147.11684	3.0
149.09628	4.1
149.13232	2.3
150.10406	2.7
151.11145	3.1
153.09033	2.4
157.10161	1.3
159.11882	0.8
161.09595	4.1
163.11168	1.4
163.14781	1.0
165.09117	2.1
167.10712	5.3
169.10110	1.0
171.11713	1.3
175.11136	0.8
177.09052	1.3
179.10712	2.5
185.13275	1.0
189.16354	1.3
191.14372	1.7
193.12195	1.8
195.10158	1.3
203.14279	6.0
207.13811	1.2
209.15370	2.7
213.16435	1.3
221.15361	26.7
231.17381	1.6
235.13269	17.7
236.13704	1.3
237.14850	20.7
238.15295	1.7
249.14868	42.9
250.15201	3.6
265.14218	0.8
273.22064	1.3
281.28711	0.9
301.21631	3.1
315.19559	2.1
329.20920	1.0
371.25787	22.0
372.26077	2.1
389.26810	19.1
389.31897	4.3
390.27213	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	389.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73368	1.9
53.03947	3.6
55.01877	1.8
55.05502	11.1
57.03439	3.6
57.07068	5.4
59.05014	3.3
67.05502	20.5
69.03416	5.4
69.07072	22.4
71.04990	4.4
71.32558	3.6
74.39464	2.1
79.05496	16.6
80.55770	1.8
81.07051	29.6
83.05000	2.9
83.08623	7.8
83.71063	2.6
91.05486	17.7
93.07044	40.5
94.07384	2.5
95.04939	2.9
95.08596	31.6
97.06530	7.2
97.10160	5.7
105.07032	24.6
107.08591	35.6
109.06511	4.1
109.10162	14.3
111.08105	3.8
117.07048	4.9
119.08570	25.1
121.06492	5.8
121.10146	33.7
123.08098	4.8
123.11716	10.4
125.05992	2.8
125.09641	3.1
129.07053	3.1
131.08546	11.5
133.06502	2.5
133.10129	24.7
135.08072	4.8
135.11693	100.0
136.12006	4.7
137.05916	3.5
137.09621	22.3
137.13237	2.4
139.07535	2.7
139.11142	15.2
142.07777	3.1
143.08568	7.0
145.10112	16.2
147.08098	3.1
147.11690	11.2
149.09633	7.3
149.13255	8.0
150.10349	3.3
151.11172	8.3
153.05530	2.8
155.08498	4.4
157.10136	9.6
159.11714	9.5
161.09700	2.8
161.13327	3.8
163.14790	3.8
167.10674	8.5
168.11086	2.2
169.10158	6.3
171.11684	6.0
173.09647	2.7
173.13280	9.0
175.14815	4.1
179.10678	5.2
181.10162	3.3
183.11690	6.1
185.13255	4.1
187.14775	15.0
189.12694	2.4
189.16418	4.5
191.14345	6.9
193.12332	3.2
195.11732	2.9
197.13181	3.3
199.14812	2.9
201.12828	2.8
201.16341	2.6
202.85365	2.2
209.13359	5.0
209.15388	6.0
211.14867	4.1
213.16425	7.7
215.17917	3.8
225.16449	6.0
227.17964	4.9
231.17508	2.3
235.13240	25.3
237.14807	76.5
238.15129	4.9
249.14883	6.1
251.17978	4.8
263.18182	2.9
265.19467	4.1
277.19385	3.6
279.19601	3.7
289.18112	6.3
293.22693	5.3
301.18347	2.5
333.25851	4.3
371.25751	10.9
389.19385	15.3
389.27890	2.8
389.32007	63.1
390.24188	7.8
390.31577	3.5
390.35764	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	389.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.0
54.10087	2.4
55.04871	2.8
55.05510	22.9
57.03415	2.4
57.07072	11.5
59.05002	6.2
63.49222	3.0
65.03958	4.4
67.05506	43.6
69.03423	6.3
69.07073	26.8
71.04996	8.3
71.08634	2.7
71.32600	3.9
79.05489	31.1
81.07058	61.1
83.01304	3.4
83.04974	8.4
83.08622	10.4
85.06548	7.8
87.04453	8.0
91.05482	28.5
93.07047	61.3
95.04961	8.2
95.08607	53.4
97.06536	15.9
97.10152	3.5
99.04468	3.8
105.07026	38.8
107.04965	5.1
107.08595	60.4
109.06512	11.8
109.10173	29.6
111.08083	9.0
117.07050	5.7
119.08576	33.9
121.06519	8.7
121.10148	67.1
122.03645	4.5
123.04382	4.0
123.08051	11.0
123.11702	27.8
125.09639	7.9
128.06245	5.3
129.07010	6.0
131.08583	20.5
133.06508	4.3
133.10124	36.9
135.08049	9.9
135.11693	89.6
136.12016	4.7
137.05984	49.8
137.09621	83.0
139.07549	5.9
139.11165	30.0
143.08548	12.1
145.10115	20.6
146.03653	3.0
147.04358	3.2
147.08080	6.5
147.11710	14.8
148.77931	2.7
149.09631	17.9
149.13249	8.8
150.10399	7.6
151.11179	12.6
153.09055	3.4
153.12770	3.7
157.10130	10.3
159.08057	4.0
159.11768	13.9
161.05983	19.5
161.09573	15.0
161.13242	4.1
162.06683	3.7
163.07559	4.5
163.11176	8.4
163.14859	6.7
165.09167	9.5
165.12769	4.7
167.10669	20.8
169.10051	3.4
171.11655	10.0
173.09630	4.0
173.13361	13.0
175.11183	7.1
175.14839	6.5
177.09093	9.4
177.12779	3.0
177.16388	4.3
179.10687	12.2
181.10077	3.0
183.11719	5.4
185.13225	5.9
187.14821	12.1
189.09119	11.2
189.12666	6.1
189.16380	8.2
191.07028	43.0
191.10620	4.3
191.14299	8.3
192.07494	4.8
193.12199	7.1
195.10086	5.6
195.11810	4.0
195.13860	3.8
199.14792	7.2
201.16360	4.3
203.07008	3.5
203.14229	5.7
205.08624	13.8
205.12157	3.4
207.13826	7.5
209.13423	5.0
209.15343	11.9
211.14783	4.6
213.16405	3.6
217.08591	10.4
219.13780	5.7
221.15295	15.3
223.09540	7.6
223.14844	4.2
225.16519	5.1
229.08582	4.3
235.07594	3.2
235.09641	10.4
235.13269	70.0
236.13666	5.7
237.14815	100.0
238.15208	7.8
239.17931	3.6
249.14830	40.3
250.15158	4.4
253.10614	3.8
275.20151	6.8
279.09784	3.1
287.16507	2.9
289.18005	7.4
293.11722	4.0
293.22595	5.7
294.11365	2.6
301.21512	4.8
303.19519	5.0
315.19492	5.5
321.11127	7.6
329.24493	5.2
333.25488	3.4
339.12262	21.2
340.12442	3.3
341.13776	8.3
353.13977	18.5
359.15024	18.9
371.14645	23.4
371.25574	25.3
371.29355	5.9
372.15033	4.4
372.26373	3.7
389.15665	4.2
389.26834	30.1
389.31918	48.5
390.35962	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	389.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.0
53.78432	2.6
55.01863	8.0
55.05509	33.1
57.03430	10.7
57.07079	5.8
59.22880	3.0
67.05503	81.4
67.26818	2.5
69.03425	7.5
69.07063	43.6
71.04996	16.0
71.31801	4.5
79.05486	38.6
81.07055	100.0
83.04976	9.2
83.08621	15.6
85.02901	6.0
85.06548	12.0
91.05486	26.7
93.07039	51.3
94.00355	2.6
95.04950	15.7
95.08027	6.1
95.08611	83.8
97.06551	14.2
97.10160	13.5
97.26923	2.6
99.08120	5.4
99.78584	2.8
103.05466	4.9
105.07024	32.2
107.04951	9.3
107.08589	30.6
109.02882	3.2
109.06522	8.1
109.10149	49.7
111.08080	3.5
117.07002	4.3
119.04942	3.3
119.08587	28.9
121.06501	7.1
121.10131	35.9
123.04406	4.3
123.08079	7.4
123.11694	19.0
125.09581	5.0
131.08588	14.3
133.06534	3.9
133.10138	26.7
135.04445	5.9
135.08052	10.8
135.11667	22.5
137.06001	16.1
137.09628	5.3
137.13260	6.3
139.11169	7.3
141.07089	3.7
143.08575	5.2
145.06433	6.4
145.10129	11.0
146.07266	5.5
147.04398	7.4
147.07977	7.8
147.11708	13.0
149.09590	5.3
149.13280	5.6
151.03929	18.9
151.04994	4.1
151.11189	34.7
153.04373	3.9
153.05489	4.3
157.10112	6.3
159.07996	3.8
159.11693	9.5
161.06004	3.7
161.09659	7.9
161.13243	12.4
163.03896	8.3
163.07573	7.5
163.11153	5.9
163.14836	2.9
165.05515	4.6
165.09116	6.1
165.12708	3.2
167.07033	4.1
167.14299	3.0
169.10176	4.0
171.11749	3.3
173.09647	4.7
173.11697	4.7
173.13280	8.7
175.14824	4.6
177.09064	3.3
177.12796	3.7
178.09862	6.8
181.04962	13.3
187.14783	6.3
189.09152	17.2
191.10715	4.5
191.14288	4.5
191.16220	3.1
193.08647	3.2
194.75684	2.8
195.06508	7.3
199.07529	7.2
201.09085	4.5
205.08607	13.9
210.79755	3.1
211.05969	8.2
217.08557	22.8
217.19360	3.5
219.10100	4.8
221.08014	5.7
223.09740	4.1
229.08659	5.0
235.09612	11.1
239.12712	7.0
243.21092	6.5
247.09659	10.0
261.22150	14.9
265.10742	27.3
279.23187	46.5
301.18063	3.1
353.26862	19.4
354.27530	3.7
371.14786	3.4
371.22156	5.9
371.27853	23.8
389.19589	20.5
389.27780	6.3
389.32538	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	389.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.6
55.01871	6.3
55.05510	39.1
57.03435	14.7
57.07081	3.9
59.04993	1.6
65.03930	3.1
67.05499	93.0
69.07062	50.4
69.07443	3.3
71.04992	10.5
71.10158	3.5
73.06598	1.5
79.05489	42.7
81.07051	100.0
82.07392	3.2
83.04973	7.2
83.08613	19.5
85.06552	7.1
91.05469	17.5
93.07038	42.0
95.04978	5.0
95.08598	80.9
96.08942	2.9
97.06523	12.6
97.10157	18.3
99.08078	2.0
105.07018	13.4
105.69197	1.3
106.21914	1.5
107.08585	22.6
109.06504	1.9
109.10143	42.0
111.04476	1.5
111.08081	5.4
111.11714	2.9
117.07045	4.1
119.08591	8.7
121.06512	2.1
121.10139	25.1
122.10480	1.8
123.08068	2.3
123.11703	18.4
125.05981	1.7
125.09641	4.0
131.08537	7.9
133.10110	8.6
135.08070	3.1
135.11691	16.2
137.06007	4.2
137.09654	2.5
137.13210	7.5
139.11176	7.0
141.09061	1.4
145.10156	5.1
147.11665	10.2
149.09589	2.4
149.13260	7.4
151.03905	7.9
151.07503	2.6
151.11206	2.1
151.14816	2.4
153.12711	1.7
155.10623	1.9
159.11723	4.0
161.06015	1.9
161.13219	8.9
163.14836	5.6
165.12743	2.0
167.03346	1.8
167.07033	6.2
167.14326	2.0
173.11732	7.4
173.13280	7.5
175.07616	2.0
175.14806	3.2
177.05379	1.4
177.16356	1.4
181.04962	3.9
187.14848	2.9
191.14339	1.8
201.16338	1.8
209.07961	1.7
209.15337	3.2
213.14816	1.7
222.94699	1.5
229.14388	2.8
242.77159	1.4
243.21101	8.5
261.22119	21.0
279.23157	40.0
280.23517	3.6
297.24274	2.5
335.26068	2.0
353.26999	9.5
371.28125	9.4
372.28781	1.9
389.15381	6.3
389.28827	24.2
390.28961	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86516	5.3
64.57393	6.4
65.16046	7.0
67.05492	6.2
69.55239	34.0
79.05471	7.6
90.17171	5.6
91.78507	6.0
98.22622	12.2
105.02252	6.5
105.03396	100.0
119.43282	6.2
137.06004	33.3
144.80424	6.3
147.04364	8.0
149.05980	6.0
151.03944	12.5
155.02502	5.4
161.05981	6.1
179.07001	55.0
197.08122	7.7
203.08665	6.6
211.09665	29.6
240.10971	6.9
302.11234	6.4
404.64047	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	390.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46437	1.7
50.64925	1.6
54.44388	1.3
65.32210	1.3
65.69759	1.4
69.03433	2.4
70.82388	3.0
79.05447	1.8
81.03426	2.3
83.34851	1.5
85.02910	12.7
91.05472	43.8
92.02831	1.4
92.05816	2.8
95.05019	1.7
97.02895	3.0
104.85810	1.4
105.07054	4.2
107.04986	1.9
117.28142	1.6
119.08593	5.4
121.06502	8.2
123.04425	2.6
129.06996	42.7
130.07365	2.9
131.04909	1.5
131.08554	33.1
132.08955	2.2
133.06549	2.2
137.02359	4.1
137.06027	2.4
139.03876	3.3
145.04955	1.4
147.08041	100.0
148.08430	3.5
149.02373	2.5
151.03979	2.2
163.03911	1.6
165.09109	56.0
167.06987	2.6
175.07526	14.4
211.09630	10.8
221.62747	1.6
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
52.55579	0.6
55.01875	0.9
57.03410	0.6
69.03429	1.6
69.07077	1.0
69.45880	2.1
69.46287	1.3
79.05503	0.5
81.03409	0.8
81.07043	1.3
81.93368	0.6
83.92691	0.5
85.02908	5.5
86.03211	0.5
88.01945	0.6
91.05485	2.0
93.07043	0.9
94.04192	1.0
97.02896	1.6
105.07049	1.1
107.04916	0.8
107.08601	0.9
109.02882	0.8
119.04945	0.7
122.03667	2.6
123.04453	0.9
125.06020	0.6
127.03938	1.4
131.08592	0.9
133.10143	1.5
137.05981	100.0
138.06313	3.0
145.05057	0.7
151.07544	6.9
161.05971	1.5
161.09648	2.9
167.07021	0.9
170.08978	0.8
177.05486	0.6
181.04951	0.8
189.09164	1.4
192.10915	0.6
193.12251	15.4
193.13979	0.9
194.12665	0.7
219.09952	0.7
228.13123	0.7
229.83693	0.6
234.41405	0.5
390.16187	0.8
391.19397	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	8.5
63.96065	5.6
67.05482	9.3
67.66362	4.8
71.32881	5.5
71.33304	10.4
75.09658	5.5
81.07082	7.4
91.05472	9.0
93.07030	10.6
95.08578	13.3
97.99072	5.3
105.06997	12.0
107.08569	6.6
109.10120	6.9
119.08556	5.9
131.08571	7.5
145.10129	6.7
149.02303	24.0
159.89571	5.0
167.30879	5.4
185.13329	6.1
267.11765	4.9
390.19379	100.0
390.32068	6.4
391.20270	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	391.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.5
53.03950	3.2
55.01641	0.6
55.01870	6.1
55.05498	0.6
55.49503	0.4
57.03429	0.8
57.07059	0.7
57.85181	0.4
65.03939	6.3
67.05482	1.3
69.07057	0.5
69.32618	0.4
71.32584	0.7
74.63847	0.4
75.04455	1.0
75.87113	0.4
77.03891	0.5
78.04706	0.9
79.05484	3.4
81.03403	1.0
81.07063	0.5
82.51134	0.4
83.04980	0.4
85.02868	0.7
87.04454	0.9
91.05472	19.9
91.06046	1.0
92.05782	0.8
92.06278	0.5
93.03400	4.1
93.07037	14.0
93.99281	0.5
95.04961	7.0
95.08581	0.7
97.06523	1.1
103.05460	15.0
105.04488	1.7
105.07017	2.5
106.04154	1.0
107.04951	5.3
107.08567	0.8
109.02827	0.7
109.06496	0.8
110.03636	1.3
111.04437	6.5
115.03960	0.6
115.05480	0.5
119.04938	3.9
120.05730	2.4
120.34022	0.4
121.02872	0.7
121.06496	25.7
121.10063	0.6
121.42920	0.4
122.06815	1.0
123.04420	5.6
124.05194	1.7
125.05982	3.8
125.09602	0.5
128.06189	0.5
131.04916	3.6
131.05815	0.7
131.08598	0.5
133.02849	1.2
133.06471	1.6
133.10101	0.5
134.03633	0.8
135.04373	2.8
135.08026	1.1
136.05186	0.9
137.05960	9.5
138.03110	1.1
138.06720	1.5
139.03893	13.2
139.07506	1.5
141.05502	0.6
142.02599	0.6
145.10118	0.5
147.04407	3.4
147.06477	1.0
148.05202	2.4
149.02336	3.9
149.05972	12.1
150.06639	0.7
151.03896	2.9
151.07538	4.3
152.04648	0.9
153.05461	6.7
154.06236	51.0
155.06966	3.8
159.05524	0.6
159.07968	0.5
160.05252	0.4
161.05934	1.0
163.03880	1.1
163.07547	2.8
164.04671	1.4
165.05472	0.9
166.06245	9.9
167.03288	0.9
167.07018	14.6
168.07372	0.6
177.05460	10.6
177.08969	0.5
178.06207	0.5
179.07018	26.4
180.07376	1.1
181.05003	20.7
181.08577	99.5
182.05374	0.9
182.09065	4.8
183.06468	1.4
191.07066	0.9
193.08543	2.3
194.09280	0.9
195.06532	2.2
195.10204	0.8
199.07549	3.0
209.08073	57.3
210.08847	100.0
211.09206	5.9
219.10194	0.8
237.11086	0.9
319.11786	1.0
341.09879	0.5
391.13281	0.7
391.17703	1.9
391.29959	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1583
Annotation	Mussaenoside
Peak:m/z	Relative Intensity
69.03420	1.0
70.99960	1.3
79.05499	0.7
81.03417	1.8
81.07024	0.6
85.02895	2.0
91.05473	1.4
91.58322	0.6
95.04916	0.8
95.08597	0.6
97.02882	1.4
98.97560	1.6
105.07009	1.1
106.03020	0.7
107.04952	0.8
117.07023	1.0
119.08578	1.1
121.06475	1.3
123.04398	1.5
123.08039	0.7
127.03919	0.8
133.06487	0.9
137.05997	0.8
145.05014	0.8
145.06491	0.7
147.08034	1.3
149.02350	1.9
149.05975	1.0
151.07510	1.5
161.06027	0.8
167.07037	22.6
168.07431	1.7
173.05986	1.2
175.07541	0.8
177.05531	0.7
181.08577	4.4
191.06956	0.7
193.08647	1.2
195.06511	0.8
199.07352	0.6
205.08711	0.9
207.10202	0.7
211.09644	2.5
221.07993	0.9
223.09608	1.1
229.10535	1.3
235.09558	0.8
239.09097	1.8
241.10689	0.9
263.38141	0.6
271.08264	0.6
275.10934	2.3
319.11600	0.8
331.10663	1.4
391.15649	100.0
392.11957	0.7
392.16150	7.2
399.76028	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1595
Annotation	Penstemonoside
Peak:m/z	Relative Intensity
58.18904	1.0
67.05521	1.1
67.99219	0.9
69.03436	2.7
69.23872	1.0
69.32798	2.9
69.33212	4.5
78.04720	2.4
79.05505	2.0
81.03409	4.6
81.65971	1.0
85.02913	5.4
91.05481	3.9
93.07038	1.6
97.02874	2.5
97.06509	1.3
98.97578	2.0
105.07021	1.7
107.05009	1.8
115.05452	2.6
117.07040	1.9
119.01666	1.2
119.08587	1.6
121.06499	1.4
121.69977	1.1
123.04443	5.5
127.03861	1.6
131.79210	1.2
145.06485	2.2
149.02322	2.8
149.05980	3.4
151.03880	1.3
151.07510	1.3
153.05490	1.9
157.04158	1.2
161.05945	1.5
167.07039	100.0
168.07372	6.6
169.08102	1.5
173.06075	1.7
175.07448	1.4
179.07034	1.3
181.08586	6.8
181.31618	1.1
182.06897	1.0
191.07149	1.7
193.08612	4.1
194.08896	1.1
205.08711	1.6
207.10124	1.3
211.09689	9.9
223.09735	1.2
226.80428	1.1
227.06891	1.3
229.10567	2.4
331.10495	1.9
362.79373	1.1
391.15665	55.5
391.19495	9.6
392.15976	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	391.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.3
53.57929	1.6
55.01849	1.8
55.05506	2.6
57.03441	1.5
57.07068	2.4
65.03922	1.4
67.05502	2.9
69.03419	1.7
69.07040	1.8
71.01247	1.6
71.08614	3.1
78.04712	2.3
79.05481	8.2
81.07049	2.6
81.18610	1.6
81.77262	1.6
83.08628	2.0
84.43845	1.6
91.05461	11.1
93.07031	4.7
95.04938	4.9
95.08600	2.9
95.56369	1.6
97.06506	2.0
103.05482	4.7
104.12914	1.5
104.66473	1.5
105.07015	12.4
106.04183	2.0
107.04934	6.9
109.06519	1.9
116.06206	2.0
119.04958	9.8
119.08569	1.5
121.02858	3.3
121.06484	6.9
123.04412	6.8
124.05201	3.1
128.06223	1.6
131.04926	3.9
133.02853	1.7
133.06479	9.6
135.08080	2.0
137.05966	13.3
147.04413	4.7
148.05130	3.7
149.02332	21.7
149.05940	3.5
150.06577	1.5
151.03894	3.2
151.07521	8.9
153.05478	5.4
154.59962	1.6
161.05969	4.8
163.03893	3.2
163.07516	4.2
167.03441	2.6
167.07027	100.0
168.07417	4.4
173.09613	1.8
177.05472	5.6
177.09023	1.5
178.06097	3.0
179.07057	13.3
181.04950	4.5
181.08502	9.8
185.13261	1.8
187.11299	1.8
191.07008	2.1
193.04915	2.3
193.08617	22.2
194.05733	3.8
194.09351	21.5
195.10092	2.9
209.08087	17.2
211.09621	3.3
223.09680	2.8
332.27237	1.6
343.14066	1.6
355.98203	1.8
373.12430	1.8
391.16794	5.1
391.21136	2.3
391.25256	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.2
57.03431	2.3
61.52134	1.4
65.03922	1.8
66.99248	1.8
67.05531	1.8
70.47623	4.2
70.47961	1.7
71.08612	1.8
74.11900	1.8
79.05482	13.7
91.05479	17.5
93.07030	4.2
95.04973	4.7
95.08595	1.4
103.05461	16.5
105.07030	53.9
107.04957	14.2
109.06554	2.8
115.05443	17.6
115.36924	1.4
117.07021	2.2
118.04179	4.9
119.04929	16.2
121.06501	12.1
123.04486	2.8
123.08104	3.4
124.05215	2.1
125.05968	7.5
131.04919	5.7
133.06485	31.5
133.10187	1.9
135.04422	2.3
135.08069	3.7
137.05966	7.9
143.04941	3.6
143.06003	1.9
147.04425	8.4
148.05157	2.1
149.02319	7.8
149.05994	5.8
151.07536	17.3
153.05450	24.1
159.08031	4.7
161.05946	11.2
162.06705	2.3
163.03915	10.7
163.07549	6.7
165.05486	2.1
165.09166	5.1
167.07025	21.2
177.05470	16.6
177.09103	2.4
178.06255	10.8
179.07022	100.0
180.07410	4.7
181.08592	10.6
187.07539	9.8
191.07030	5.1
193.08595	46.1
194.09364	46.5
195.10138	13.2
201.09126	4.4
205.08604	27.0
209.08115	6.0
219.10158	23.3
223.09666	10.5
224.80240	1.4
373.16425	8.0
391.01862	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	391.175
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96463	1.6
55.01886	2.3
55.05505	1.6
57.07055	1.6
67.05495	2.6
70.19524	1.5
70.53057	4.6
74.82276	1.6
77.03927	1.5
79.05490	4.7
81.07076	1.7
85.81071	1.6
91.05474	12.4
93.07040	4.6
95.04945	3.3
95.08621	2.0
103.05420	3.8
105.07032	6.6
106.96822	1.7
107.04942	8.3
109.02867	2.8
109.06497	1.9
117.07044	1.7
119.04972	3.9
119.08529	2.5
121.06514	6.8
121.10148	1.7
122.03661	1.6
123.04416	3.7
127.03906	3.9
128.06221	3.0
128.90469	1.5
128.92970	1.4
129.07013	6.3
131.04933	6.3
131.08568	3.7
132.05757	1.9
133.06476	2.0
133.10167	1.8
136.90891	1.4
137.05963	20.0
146.07275	5.9
147.04446	3.3
147.08069	1.9
148.05179	4.4
149.02318	20.7
149.05965	4.8
151.03911	7.7
151.04999	1.9
151.07535	4.8
153.05426	3.9
157.06505	2.9
159.04457	2.0
159.08058	1.7
161.05974	100.0
161.09599	26.0
162.06378	4.9
162.09984	2.6
163.07570	2.7
167.03400	2.9
167.07042	26.2
173.05983	2.0
174.06715	3.9
175.07547	6.8
177.05447	2.3
179.07031	2.3
181.05066	2.7
181.06563	2.3
181.06984	2.5
181.08560	15.7
189.09097	50.4
190.09505	4.2
191.07068	3.4
193.06564	1.6
193.08482	2.9
195.10141	1.5
203.06953	1.9
207.10150	51.3
208.10571	2.3
221.05992	2.1
235.07561	2.0
251.10512	1.8
253.08611	4.1
257.11771	3.4
273.11322	2.4
283.09869	2.2
285.11252	5.7
311.09320	2.0
315.12091	2.7
317.13797	3.7
327.12302	1.8
345.09601	2.1
361.16489	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	391.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29036	1.9
64.65679	2.3
67.05492	2.6
71.34069	2.8
91.05471	9.0
93.07037	2.9
95.04944	3.1
103.05450	4.9
105.07028	6.1
107.04961	5.2
108.52342	2.1
113.79591	2.1
118.04120	3.0
119.04935	3.0
121.06500	4.9
129.06999	5.8
131.04900	3.8
131.08594	4.8
137.05975	5.1
146.07256	4.6
147.04353	2.6
149.02327	14.6
151.03842	3.1
151.07510	3.5
153.05478	4.8
153.06914	2.2
157.06456	2.6
161.05971	100.0
161.09596	23.5
162.06319	5.4
163.07539	4.5
167.07040	20.7
174.06802	4.5
175.07570	7.3
179.06996	2.3
181.08604	12.8
189.09097	53.0
191.07053	4.9
207.10159	53.5
223.07591	2.3
285.11212	6.5
317.13940	3.1
326.97580	2.4
343.15176	2.7
391.08392	2.6
391.13748	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	391.175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.7
53.71312	1.8
55.01865	5.0
55.05503	5.6
57.03432	2.5
61.02915	2.8
65.03925	4.5
67.05497	5.8
69.03429	2.9
69.07062	2.2
71.32579	1.9
79.05488	10.6
81.03424	4.6
81.07024	8.5
82.07230	1.8
83.04978	5.0
85.02910	1.8
85.06539	2.9
91.05480	33.4
93.07041	11.5
95.04967	6.6
95.08619	8.8
97.02903	4.3
100.11270	2.5
103.05464	12.8
105.07030	19.3
106.04169	5.0
107.04943	35.6
107.08578	9.9
109.02882	2.9
109.06523	5.7
109.10164	6.0
115.05437	8.6
117.07040	13.9
119.04950	13.2
119.08587	12.1
121.06491	32.0
121.10133	5.3
122.03650	3.4
123.04427	5.4
123.08085	5.6
123.11707	2.6
125.05960	9.3
127.03907	2.5
128.06233	2.3
129.06992	2.6
131.04921	15.4
131.08582	5.4
133.06485	13.2
133.10124	8.9
134.07285	2.1
135.04422	8.4
135.08041	11.1
135.11670	4.1
136.05176	3.0
137.05980	30.8
138.03125	3.5
139.07576	4.1
143.08534	4.5
145.06491	8.3
145.10121	8.3
146.07260	43.2
147.04413	11.9
147.08069	11.1
147.11674	5.2
148.05092	2.8
149.02354	7.3
149.05963	16.9
149.09618	3.7
149.13251	1.9
150.06694	5.2
151.03900	4.8
151.07541	39.3
152.07912	2.5
153.05464	54.5
155.08514	2.1
156.09299	2.5
157.10135	4.4
159.04466	3.1
159.08023	2.1
159.11694	9.3
161.05972	18.6
161.13371	2.0
162.06718	15.1
163.03902	4.5
163.07535	35.9
165.05490	20.4
165.09146	15.9
167.07069	16.0
169.10078	2.0
171.11678	4.8
173.13298	5.8
175.07600	3.2
175.11192	2.9
175.14848	1.7
176.04701	10.5
177.05478	30.5
177.09099	31.8
178.06227	4.7
178.09879	100.0
179.07034	42.6
179.10405	5.6
183.06540	3.0
185.13223	5.4
187.11194	3.8
187.14767	3.9
191.07019	79.3
192.07431	4.3
193.08568	13.6
194.09395	4.1
195.06517	7.6
195.08145	2.1
195.10097	2.5
197.08224	2.1
197.13231	3.4
201.12715	5.1
203.07050	7.0
205.08522	3.4
209.08026	4.3
217.08578	3.5
219.14005	2.0
221.07994	8.6
223.09636	3.0
229.12180	3.4
235.09653	4.4
237.09096	3.1
239.09189	3.1
247.13243	2.5
255.10217	3.2
271.09705	4.5
286.12030	2.2
311.12802	4.0
329.13797	38.8
330.14102	3.4
343.15302	5.2
355.15384	14.5
373.28922	3.1
391.17334	2.6
391.30023	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	391.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	2.1
56.99271	2.0
58.87768	2.2
61.02935	2.0
67.05512	2.0
67.30990	2.1
69.03458	2.0
70.80919	3.1
70.81266	3.4
79.05482	11.0
80.70962	1.6
81.03426	2.0
81.07072	2.4
91.05478	33.0
93.07060	7.4
95.04977	5.9
97.06534	2.5
97.43452	2.0
103.05468	10.9
105.07054	14.2
105.11914	1.9
106.04144	3.3
107.04960	34.8
107.05683	3.4
107.08614	3.1
109.06542	5.6
109.10071	2.1
115.05441	10.2
117.07003	12.2
119.04956	12.4
119.08619	2.2
121.06511	30.6
121.10197	2.8
123.04450	4.8
123.08074	3.1
125.06000	7.1
127.03931	2.2
131.04898	16.3
133.06488	13.2
134.07263	2.5
135.04440	8.8
135.08080	4.9
136.05232	4.0
137.05972	24.1
138.03094	3.6
139.07571	3.3
143.04951	1.9
145.06522	6.1
146.07268	44.5
147.04375	12.9
147.08022	15.3
148.05119	2.1
149.02364	4.2
149.06009	15.9
150.06728	3.9
151.03912	2.2
151.07550	43.8
153.05461	43.8
159.08012	3.1
161.05978	21.6
162.06769	17.0
163.03902	2.8
163.07544	35.0
164.04645	2.8
165.05481	21.2
165.09111	16.5
167.07028	14.7
176.04727	8.3
177.05482	32.5
177.09088	33.2
178.09889	100.0
179.07031	41.1
179.10381	6.2
191.07034	58.1
191.08696	3.8
192.07378	2.9
193.08607	15.5
194.09460	2.3
195.06505	10.1
203.07048	7.4
205.08646	3.8
209.08041	2.4
221.08124	7.8
239.09097	5.0
255.10287	2.6
271.09781	3.1
297.11237	2.5
311.12744	3.8
323.27579	2.1
329.13840	50.0
330.14291	3.9
331.04382	6.6
332.05103	4.1
343.15445	8.2
347.07431	2.9
355.08707	2.2
355.15326	11.7
357.31247	2.4
388.82309	2.4
391.17194	4.4
391.30881	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68831	1.2
53.03948	2.2
55.01863	4.3
61.02920	1.9
65.03945	1.9
67.05503	2.2
69.03437	2.3
69.07755	13.5
71.04993	2.0
78.04704	1.5
79.05512	7.2
81.07042	4.3
91.05479	24.2
93.07050	5.7
95.04985	6.8
103.05476	12.9
105.07046	10.6
106.04156	2.5
107.04961	34.0
107.08594	3.5
109.02876	1.7
109.06527	4.2
110.03661	3.1
111.04530	1.5
111.08131	2.1
115.05466	11.1
117.07031	13.7
118.04124	1.8
119.04953	11.1
119.08513	1.8
121.06509	24.9
122.03618	3.0
123.04408	4.6
123.08089	3.6
125.06023	6.7
129.06998	4.0
131.04926	15.6
131.08490	2.0
132.05736	1.9
133.06496	10.5
134.07272	1.6
135.04379	8.1
135.08029	6.2
135.11670	1.9
136.05212	4.1
137.05981	26.2
138.03102	4.5
144.05779	1.7
145.06490	7.4
145.07501	1.5
146.07263	41.2
147.04395	8.1
147.08084	12.8
148.05193	6.2
149.02309	2.3
149.05975	18.6
149.09642	3.0
149.13254	2.1
150.06761	5.2
151.07558	43.5
152.04652	1.5
152.07983	2.2
153.05466	50.9
154.05856	2.1
157.06464	1.8
159.04417	2.7
161.05975	40.4
161.09656	4.6
162.06755	16.0
163.03926	4.1
163.07558	36.7
165.05444	18.9
165.09108	13.8
166.06070	1.3
167.07021	16.1
167.10654	1.8
167.14323	3.7
173.05893	2.4
174.06816	1.6
175.07544	2.8
176.04694	8.9
177.05490	35.8
177.09109	30.4
178.06140	2.7
178.09891	100.0
179.05565	2.6
179.07045	35.0
179.10408	7.0
181.08568	4.5
185.05997	1.4
189.09122	13.7
191.07042	79.3
192.07408	4.3
193.08615	12.0
194.09393	2.2
195.06506	9.2
195.10178	1.6
203.07043	8.1
205.08559	4.4
207.10187	14.5
211.07626	1.6
217.08572	2.0
221.07997	9.6
226.61720	1.5
235.09550	3.8
239.09152	4.8
254.09256	1.8
265.08481	2.0
265.12396	1.7
269.11853	2.3
271.09702	3.9
285.11383	2.2
296.10373	2.1
297.11182	2.2
311.12720	3.4
315.12204	1.6
329.13806	45.6
330.14294	3.2
343.15402	8.3
355.15393	14.8
356.15744	2.4
391.17432	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	391.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	1.3
69.03404	1.2
70.68259	1.6
72.52497	0.6
79.05483	2.3
81.07053	2.0
83.04971	0.9
85.02947	0.8
91.05485	5.0
93.07041	2.1
95.04958	1.6
95.08607	2.0
97.02870	0.9
103.05462	2.0
105.07012	3.3
107.04962	3.3
107.08569	1.8
109.10133	0.9
115.05470	0.6
118.04177	1.1
119.04945	1.9
119.08573	0.9
121.06500	3.1
121.10145	1.3
123.04446	1.2
123.08067	0.9
128.06229	1.1
129.06998	4.0
131.04938	3.1
131.08586	1.8
133.06488	1.8
133.69943	0.6
135.04410	0.7
135.08087	1.0
135.11713	0.7
137.05972	6.6
138.06354	2.0
141.06969	0.6
142.52415	0.6
145.06517	0.7
146.07248	2.4
147.04408	1.1
148.05188	1.9
149.02373	1.1
149.05980	1.1
149.09634	1.0
151.03906	1.9
151.07564	2.1
153.05499	1.4
157.06493	2.1
159.08051	1.8
159.43085	0.6
160.05133	0.6
161.05983	43.4
161.09622	10.8
162.06380	0.8
162.10043	0.7
163.07550	2.9
164.42816	0.7
165.05507	0.8
165.09164	1.0
167.07056	10.3
175.07573	2.5
177.05440	1.0
179.07025	0.9
181.04961	1.3
181.06456	0.8
181.08604	4.5
182.07207	0.9
189.09106	23.9
190.09521	1.6
191.03481	0.7
191.07060	1.5
195.10197	0.7
207.10164	21.9
208.10539	1.2
229.14133	6.9
253.84897	0.6
285.11230	1.5
315.12054	0.7
317.13837	2.0
343.15314	1.3
361.16641	1.2
391.19391	100.0
392.19730	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	391.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.7
54.31062	2.1
55.01868	3.3
55.05508	2.4
58.48209	2.2
61.02932	3.5
65.03928	3.4
67.05502	6.3
69.03432	3.5
69.36638	6.7
69.37070	10.0
71.04968	2.8
71.64163	2.2
78.04743	2.2
78.98901	2.5
79.05497	15.3
81.07072	7.5
81.47684	2.1
85.06541	2.4
87.60665	2.2
91.05476	24.0
93.07042	8.1
95.04968	12.6
95.08598	2.6
97.02938	2.4
103.05478	12.5
105.07040	36.6
106.04176	2.9
107.04958	35.1
107.08593	5.5
109.02889	2.6
109.06524	5.2
109.10175	2.7
115.05427	3.5
118.04172	11.0
119.04940	14.7
119.08614	3.6
121.06507	8.7
122.03623	4.1
122.07265	2.9
123.04489	11.6
123.08076	3.6
124.05215	3.4
125.05994	2.3
130.06525	5.1
131.04964	5.6
133.06490	32.1
133.10208	2.5
134.07326	3.0
135.04410	13.9
135.08084	6.4
137.05997	19.4
139.07568	3.2
143.08559	2.7
147.04372	11.4
148.05257	2.5
149.02339	6.4
149.05984	8.0
149.09607	4.2
150.06752	21.3
151.07504	8.0
161.06010	15.0
163.03918	21.4
163.07567	4.4
164.04486	2.5
165.09135	18.6
167.07047	100.0
168.07370	3.4
170.58049	2.1
173.13136	2.1
177.05489	3.9
178.06248	3.0
179.07069	7.5
179.10782	2.4
180.07892	4.4
181.08588	10.9
189.09184	3.9
193.08604	77.8
194.08943	3.3
195.06535	5.7
198.73112	2.4
207.10065	2.9
209.08083	2.3
211.09650	78.8
211.11624	4.2
212.10002	3.2
213.11319	3.0
331.04398	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	391.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68831	1.2
53.03948	2.2
55.01863	4.3
61.02920	1.9
65.03945	1.9
67.05503	2.2
69.03437	2.3
69.07755	13.5
71.04993	2.0
78.04704	1.5
79.05512	7.2
81.07042	4.3
91.05479	24.2
93.07050	5.7
95.04985	6.8
103.05476	12.9
105.07046	10.6
106.04156	2.5
107.04961	34.0
107.08594	3.5
109.02876	1.7
109.06527	4.2
110.03661	3.1
111.04530	1.5
111.08131	2.1
115.05466	11.1
117.07031	13.7
118.04124	1.8
119.04953	11.1
119.08513	1.8
121.06509	24.9
122.03618	3.0
123.04408	4.6
123.08089	3.6
125.06023	6.7
129.06998	4.0
131.04926	15.6
131.08490	2.0
132.05736	1.9
133.06496	10.5
134.07272	1.6
135.04379	8.1
135.08029	6.2
135.11670	1.9
136.05212	4.1
137.05981	26.2
138.03102	4.5
144.05779	1.7
145.06490	7.4
145.07501	1.5
146.07263	41.2
147.04395	8.1
147.08084	12.8
148.05193	6.2
149.02309	2.3
149.05975	18.6
149.09642	3.0
149.13254	2.1
150.06761	5.2
151.07558	43.5
152.04652	1.5
152.07983	2.2
153.05466	50.9
154.05856	2.1
157.06464	1.8
159.04417	2.7
161.05975	40.4
161.09656	4.6
162.06755	16.0
163.03926	4.1
163.07558	36.7
165.05444	18.9
165.09108	13.8
166.06070	1.3
167.07021	16.1
167.10654	1.8
167.14323	3.7
173.05893	2.4
174.06816	1.6
175.07544	2.8
176.04694	8.9
177.05490	35.8
177.09109	30.4
178.06140	2.7
178.09891	100.0
179.05565	2.6
179.07045	35.0
179.10408	7.0
181.08568	4.5
185.05997	1.4
189.09122	13.7
191.07042	79.3
192.07408	4.3
193.08615	12.0
194.09393	2.2
195.06506	9.2
195.10178	1.6
203.07043	8.1
205.08559	4.4
207.10187	14.5
211.07626	1.6
217.08572	2.0
221.07997	9.6
226.61720	1.5
235.09550	3.8
239.09152	4.8
254.09256	1.8
265.08481	2.0
265.12396	1.7
269.11853	2.3
271.09702	3.9
285.11383	2.2
296.10373	2.1
297.11182	2.2
311.12720	3.4
315.12204	1.6
329.13806	45.6
330.14294	3.2
343.15402	8.3
355.15393	14.8
356.15744	2.4
391.17432	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	391.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.9
55.01865	2.7
56.78702	1.7
65.03946	3.3
69.33234	4.9
69.33641	7.5
72.88101	2.2
79.05478	9.3
81.07037	3.1
85.02893	2.5
86.67175	1.6
88.29588	1.9
91.05479	28.3
92.05819	1.9
93.07062	3.5
95.04966	6.8
103.05460	11.6
105.03448	2.0
105.07001	9.8
106.04152	5.1
107.04949	27.3
107.08598	2.7
109.06506	3.9
109.14774	1.9
111.73116	1.7
115.05442	10.6
116.06234	2.4
117.07030	11.6
119.04911	12.7
121.06509	30.4
122.03693	3.9
123.04450	3.0
123.08055	2.3
125.05991	8.1
131.04921	11.1
133.06522	11.8
134.07233	2.7
135.04433	8.2
135.08043	7.2
136.05211	3.3
137.05972	27.9
138.03123	2.9
139.07565	3.5
145.06468	5.3
146.07260	49.8
147.04404	6.8
147.08057	12.1
149.02342	3.8
149.05980	19.6
149.09589	3.1
150.06693	3.3
151.03897	2.3
151.07541	41.7
153.05460	47.8
159.08003	2.4
161.05957	19.7
162.06786	16.0
163.03903	5.2
163.07526	32.6
165.05487	22.3
165.09102	13.8
167.07004	15.2
173.05882	2.5
176.04681	6.5
177.05466	32.3
177.09087	31.9
178.09879	100.0
179.07031	36.1
179.10463	6.1
180.07423	3.6
181.04889	2.1
191.07021	61.8
192.07500	3.0
193.08586	15.4
194.09401	2.8
195.06589	9.1
203.07011	5.2
205.08592	3.0
217.08745	2.8
221.08072	7.9
239.09232	3.7
255.10062	2.3
269.11743	3.5
271.09665	3.1
297.11209	2.1
309.10962	1.9
311.12741	4.0
316.02161	2.5
318.30728	1.8
329.13818	50.0
330.13907	2.5
331.04388	3.0
332.05215	4.0
343.15396	6.8
347.07693	3.8
355.15463	14.3
391.17126	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1936
Annotation	Meclizine
Peak:m/z	Relative Intensity
51.17063	0.4
56.96563	5.5
58.63385	0.4
69.03423	1.1
70.06601	0.5
71.31127	0.5
71.95266	0.4
73.02912	0.8
74.06068	0.7
78.59978	0.4
81.03403	1.3
81.07071	0.6
84.07977	0.4
84.96032	2.1
85.02901	1.7
91.05476	1.0
93.07069	0.6
94.75314	0.4
95.05022	0.9
95.08602	0.8
97.02895	1.5
98.97585	13.1
105.07016	0.6
107.04984	0.6
109.02869	1.0
109.96923	0.4
110.97569	5.5
112.99154	1.3
116.98624	3.9
121.06556	0.9
125.02371	1.0
126.25688	0.4
127.03942	1.5
128.98628	4.4
131.00201	0.6
140.98601	1.4
143.00195	1.4
143.03366	0.6
144.98102	0.7
145.04973	0.7
146.99678	1.4
149.02354	2.0
149.06004	1.4
149.09628	1.4
152.98573	1.3
153.01845	2.1
158.99696	2.8
159.03326	1.7
161.01239	1.5
167.07066	1.8
167.10587	0.5
169.05342	0.8
170.99689	1.3
171.03271	0.5
177.00696	2.4
177.04245	1.2
187.06458	1.2
189.00716	1.2
195.01730	0.5
195.06535	1.2
201.00668	0.8
203.07106	1.1
205.07426	0.6
211.06386	0.5
213.04301	0.5
219.01767	8.0
229.07480	0.9
231.06526	1.2
235.09680	0.7
237.02769	10.2
252.93172	0.6
261.06409	1.1
271.08499	0.8
271.48447	0.5
275.10989	1.3
279.07538	4.7
291.10397	0.5
297.08817	0.9
303.07513	2.4
313.09894	1.0
321.08426	1.1
331.10617	17.8
332.10986	1.3
349.11658	15.2
350.12097	0.5
391.15497	40.1
391.19409	100.0
392.15891	3.5
392.20401	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	391.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.4
53.03925	1.2
55.01868	0.6
55.05500	1.1
57.07061	0.3
65.03935	0.5
67.05501	1.3
69.03407	0.3
69.07058	0.7
69.42372	1.3
69.42783	0.6
71.04984	0.5
71.08622	0.3
78.04707	2.5
79.05489	9.3
80.05797	0.4
81.03426	0.4
81.07058	2.1
83.04967	0.4
83.08613	0.8
85.06560	0.3
91.05479	3.0
93.07045	1.8
94.04185	0.7
95.04961	3.0
95.08596	1.4
96.05773	0.4
97.06564	0.3
98.23270	0.5
99.08047	0.2
103.05460	2.6
104.48412	0.3
104.99780	0.2
105.03288	0.3
105.04492	0.6
105.07032	3.8
106.04179	2.1
107.04951	30.6
107.08582	0.8
108.05233	1.3
109.06519	1.0
109.10152	0.4
110.03647	0.6
111.04397	0.4
111.08089	0.3
115.05437	0.8
117.07003	4.2
119.04969	0.4
119.08575	1.0
120.05672	0.3
121.02849	0.5
121.06490	4.9
121.07311	0.5
121.10100	0.5
122.03622	1.4
123.04431	7.8
124.05219	4.8
125.06010	2.1
128.06209	0.3
129.06972	1.0
130.07787	2.1
131.04926	3.3
131.08557	1.1
133.06480	1.1
133.10109	0.5
134.03629	0.4
135.04471	0.7
135.08049	2.2
136.05200	0.5
137.05977	7.3
138.03099	0.5
138.06335	0.3
139.07527	0.6
140.04697	2.4
143.08569	1.3
144.05704	0.9
145.06476	5.0
145.10117	12.6
146.10455	0.6
147.08038	0.8
148.05203	0.7
149.02362	2.2
149.05965	2.6
149.13191	0.4
151.03891	1.8
151.07530	4.6
152.04666	3.9
153.05461	5.7
154.06175	0.7
155.05945	0.4
155.07050	0.8
155.08524	1.4
157.06497	0.4
157.10165	0.5
158.07259	2.4
159.08026	0.6
159.11664	0.3
161.05959	0.9
161.13226	0.3
162.06538	0.3
162.10408	0.4
163.07533	3.7
164.08012	0.3
165.06822	0.4
165.09137	0.6
166.06290	0.6
167.07028	100.0
168.04228	0.3
168.07370	4.2
171.07988	0.6
173.09608	13.4
174.09949	0.7
176.08311	0.6
177.12762	2.7
180.07886	0.4
181.08572	3.4
181.10033	0.4
183.08000	0.5
183.11716	0.3
187.11156	0.7
189.08983	0.3
190.09839	0.3
191.10655	1.2
195.10207	2.6
196.10500	0.5
198.32971	0.3
199.14845	0.4
203.10704	0.4
205.12231	34.4
206.12584	1.8
221.11603	0.6
223.13232	0.7
225.08949	0.4
227.10774	0.3
236.13628	0.4
237.14850	7.3
238.15154	0.5
239.10600	0.4
241.12230	0.6
243.10139	0.5
245.54036	0.3
257.08035	0.7
258.12396	0.3
263.10593	0.4
267.13910	0.7
271.09558	0.5
277.12262	0.3
295.13229	0.9
299.16409	3.2
309.14862	0.6
313.17917	1.2
327.15994	2.9
328.16171	0.3
341.17389	0.6
391.20917	5.2
391.24924	0.5
391.29269	0.4
391.33954	0.3
392.21600	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.2
55.05500	0.5
57.03413	0.2
57.07076	0.5
59.04987	0.3
59.39033	0.1
65.03925	0.2
67.05495	1.7
68.99786	0.4
69.03404	0.6
69.07066	1.2
71.04997	0.6
71.31322	0.2
79.05486	2.1
80.12971	0.1
81.07055	5.8
82.07381	0.2
83.04968	0.2
83.08599	0.4
83.34785	0.1
85.06521	0.4
87.00822	0.2
87.04462	0.3
91.05470	0.8
93.07049	1.4
95.04963	1.1
95.08600	1.5
97.06529	2.3
97.10154	0.3
102.47178	0.1
105.07024	0.8
107.04950	0.2
107.08598	1.1
109.06518	2.7
109.10149	0.8
111.08103	0.3
113.05214	0.1
113.06006	2.0
119.04961	0.2
119.08578	0.8
121.06494	0.6
121.10141	1.8
123.08064	0.4
123.11703	1.0
124.12000	0.2
125.09640	0.2
127.07550	0.6
129.06993	0.1
131.08546	0.4
133.10120	0.7
135.08025	0.3
135.11697	0.5
137.06000	0.4
137.09599	0.7
139.07509	0.3
139.11160	2.7
140.04686	0.6
140.11502	0.1
142.07820	0.2
143.08557	0.3
145.10139	0.7
147.11661	0.3
149.02348	0.4
149.09607	0.9
149.13203	0.5
150.10371	0.6
151.11171	0.4
153.09120	0.2
155.07022	100.0
156.07378	3.6
157.10057	0.6
159.11690	0.4
161.13266	0.3
163.14787	0.4
165.09109	0.2
167.07037	2.6
167.10663	1.2
168.07277	0.2
169.10118	0.2
171.11685	0.3
173.13237	0.6
174.54587	0.1
175.14771	0.2
176.12041	0.1
183.10158	0.9
183.11639	0.3
185.13286	0.2
187.14819	0.7
189.16364	0.1
191.14281	0.4
191.17877	0.1
197.13249	0.2
199.14806	0.2
201.16344	0.4
203.17906	0.1
209.11719	5.1
209.15193	1.0
210.12074	0.2
211.14836	0.2
213.16420	0.3
215.17966	0.2
225.16298	0.2
227.17990	0.2
235.09705	0.4
237.11272	0.2
237.14838	3.4
237.17068	0.2
238.15215	0.2
239.17963	0.2
241.19577	0.2
253.19420	0.2
255.21179	0.2
263.12869	0.2
267.21182	0.2
279.15918	0.2
281.22617	0.2
295.24130	0.6
315.15933	0.1
321.25909	0.1
373.19904	0.2
373.27155	0.2
391.21140	6.0
391.28455	0.5
391.33499	1.9
392.21448	0.7
392.33560	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2114
Annotation	Megaphone
Peak:m/z	Relative Intensity
53.03930	0.8
54.79203	0.6
55.01868	1.3
55.05511	2.7
57.07076	8.3
59.04988	0.7
67.05504	7.3
69.03432	1.3
69.07069	3.4
70.06590	4.0
71.04992	2.7
71.08620	0.8
71.32087	0.9
77.52074	0.7
79.05489	6.1
81.07053	37.2
83.01340	1.1
83.04985	6.0
83.08615	1.1
85.06547	3.1
86.09695	1.2
86.92261	0.6
88.07639	1.5
91.05477	4.6
92.55976	0.6
93.07036	5.1
95.04962	1.4
95.08604	11.9
97.02915	1.2
97.06512	0.7
99.08096	0.7
102.09178	0.7
105.07017	6.9
107.04931	0.7
107.08595	6.5
109.06509	1.5
109.10165	3.6
111.04425	1.5
113.06041	3.8
115.05433	1.0
117.07023	3.5
119.08590	3.7
121.06520	2.1
121.10143	13.3
123.08066	1.5
123.11702	100.0
124.12048	4.4
127.07479	0.9
131.08580	3.4
132.10202	2.0
133.06490	0.9
133.10085	3.7
135.08028	3.1
137.05992	1.9
137.09596	1.6
139.03882	1.1
141.05412	1.1
141.06987	0.8
143.08598	1.5
145.06535	0.9
145.10127	4.1
146.11761	1.2
147.08054	2.0
147.11740	1.0
149.02332	2.6
149.06009	0.7
149.09612	5.2
151.03877	1.2
151.07567	1.4
151.11154	1.1
153.01811	1.7
153.05489	1.5
157.10103	1.9
159.11673	2.4
161.09691	1.4
161.13277	0.7
163.07538	5.4
163.11142	1.3
163.14755	1.0
165.09088	3.1
167.03391	6.4
167.08505	0.8
169.10106	1.2
171.08090	1.0
171.11736	1.5
173.09608	2.0
173.13293	1.1
175.07513	2.8
175.11125	1.2
177.05519	1.0
177.09077	0.7
179.03448	1.6
181.08583	7.0
181.10078	1.2
181.12151	0.8
183.11713	1.6
185.09560	0.9
185.13335	1.0
187.07483	0.8
187.14870	1.8
189.09048	1.1
191.07034	2.6
191.10600	0.9
192.07809	1.0
193.08623	7.2
195.02904	2.6
195.06451	0.8
196.08844	0.8
197.09727	0.8
201.16373	1.3
203.07001	2.7
205.08543	2.5
207.10054	1.4
209.08060	2.0
211.07660	1.5
211.09596	14.6
211.11333	1.4
212.09990	0.9
213.03891	1.8
215.07030	0.8
219.10158	1.9
223.09525	3.3
225.11243	1.8
229.08614	2.5
229.12140	1.7
231.06508	4.3
233.08064	1.3
233.11775	1.7
235.09677	1.2
243.10165	1.9
243.13707	0.9
247.09457	0.8
247.13295	2.7
249.07526	5.3
249.16376	0.8
251.09100	11.7
251.12767	1.3
252.09515	0.9
257.11722	3.4
259.09854	0.7
259.13260	0.8
261.11194	1.5
267.13586	0.7
269.10065	4.8
271.13300	2.4
275.12799	4.8
284.29471	1.4
285.11118	1.1
285.29889	2.0
289.14267	2.7
303.12173	6.0
309.14838	0.9
313.17957	1.1
317.13782	1.0
321.13379	4.6
327.15720	2.0
328.32062	3.1
329.32458	4.2
331.19034	0.8
337.18021	1.3
345.16949	8.1
345.20526	1.3
346.16879	1.1
347.18262	0.9
355.15179	3.7
355.18967	9.4
356.19534	1.0
373.16269	13.1
373.20126	10.2
373.27023	0.8
374.16629	2.1
374.20667	1.1
390.35779	5.6
391.17429	1.7
391.21017	26.4
391.24832	2.3
391.36383	15.8
392.21527	2.7
392.36176	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.9
55.01889	1.1
55.05508	3.4
57.03444	0.6
57.07071	9.3
58.06609	0.6
59.04999	0.8
63.69331	0.6
67.05503	6.9
68.99771	0.8
69.03434	1.6
69.07070	3.7
70.06596	3.9
71.04997	3.1
71.08643	1.0
71.32415	0.7
71.32852	0.8
73.92985	0.7
79.05481	6.7
81.07054	35.8
82.07384	1.3
83.01347	1.3
83.04980	6.4
83.08613	0.9
85.02917	0.8
85.06544	2.8
88.07633	1.6
91.05476	4.0
93.07040	6.8
95.04985	1.9
95.08604	11.9
97.06525	0.9
97.10151	0.7
99.04454	1.1
99.08098	0.5
99.51503	0.5
102.09205	0.6
105.07033	5.9
107.04939	1.3
107.08599	8.2
109.02827	0.6
109.06517	2.2
109.10175	2.3
111.04443	1.1
111.08059	0.7
113.06009	4.0
115.05446	1.7
117.07033	3.6
119.08566	5.0
121.06503	1.6
121.09284	0.7
121.10135	10.4
122.13155	0.6
123.04434	1.2
123.08064	1.7
123.11701	100.0
124.12038	4.3
125.02392	0.6
125.05944	0.6
127.03937	0.8
129.07028	1.4
131.08571	2.8
132.10213	1.0
133.10095	2.6
135.04451	0.6
135.08051	3.3
135.11717	1.6
137.05959	2.0
137.09616	1.2
139.03857	0.6
139.11156	0.7
141.05453	1.8
141.06973	0.7
142.07739	0.7
143.08565	1.5
145.10121	3.1
146.11790	1.1
147.08020	1.3
147.11717	1.3
149.02374	3.2
149.06001	0.8
149.09598	6.2
149.13251	1.2
151.03951	0.9
151.07562	1.0
151.11160	1.3
153.01776	1.3
153.05489	1.8
155.08485	0.7
157.10149	1.0
159.08054	1.4
159.11710	2.3
163.07523	5.1
163.14865	0.8
165.09120	3.8
167.03378	6.1
167.10739	0.7
169.10207	0.9
171.08076	0.8
171.11737	1.0
173.09657	1.7
173.13263	1.8
175.07541	3.0
175.11119	0.7
177.05463	1.1
177.09134	1.2
177.16470	0.6
179.03401	1.3
181.08572	6.4
183.11649	1.0
185.09622	0.8
185.13283	1.0
187.07568	1.1
187.11163	1.3
187.14827	2.1
189.09085	1.4
191.07011	2.8
191.10669	1.0
192.07710	1.1
193.08594	8.5
193.10167	1.0
195.02852	2.3
195.06471	1.1
197.13219	1.1
201.09093	1.3
201.16354	0.7
203.07024	3.5
205.08578	2.9
205.12259	0.8
207.10135	1.3
209.08095	2.1
211.07658	0.6
211.09608	13.7
212.09995	0.7
213.03891	1.4
213.16400	0.9
215.06862	1.2
219.10158	1.9
221.08122	0.7
223.09602	4.5
225.11198	1.9
225.16101	0.6
229.08591	1.3
229.12190	2.1
231.06551	4.3
233.08089	1.1
233.11702	2.5
235.09554	1.8
237.11215	1.3
237.16481	0.8
243.10158	1.8
247.09659	1.3
247.13306	2.2
249.07587	4.9
251.09109	11.8
251.12775	1.1
253.19453	0.8
257.11649	3.0
261.11255	2.4
269.10165	3.6
271.13235	2.3
275.12729	5.5
284.29257	1.1
285.11176	1.3
285.29825	1.8
287.12634	0.9
289.14276	1.7
293.17569	0.8
295.13385	1.1
299.12766	0.8
303.12329	6.1
313.17773	1.1
321.13330	5.4
322.13629	0.8
327.15948	2.8
327.19315	0.7
328.32162	2.6
329.17380	0.8
329.32339	4.6
331.18628	0.9
337.14203	1.0
337.18008	1.4
345.16937	6.5
345.20615	1.0
346.17209	0.9
355.15173	4.9
355.18985	7.8
373.16229	11.2
373.20068	10.5
373.27209	0.7
374.16516	1.3
374.20721	1.1
390.35745	5.6
391.20953	23.4
391.24869	2.6
391.29581	0.9
391.36359	14.6
392.21243	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	391.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89141	8.9
64.91137	9.0
67.05517	17.9
68.53815	12.3
69.03458	9.9
70.02582	9.5
71.05009	18.1
71.31471	11.9
79.05493	14.7
81.07055	25.3
83.08619	10.6
85.02934	9.1
86.93877	8.4
91.05474	31.7
92.25317	8.2
93.07043	36.3
95.08618	33.6
96.41879	8.8
105.07003	15.9
107.04942	19.3
107.08598	27.5
109.10184	20.8
115.05461	11.8
119.04926	11.0
121.06528	27.6
123.04498	9.9
125.06006	10.6
131.04936	8.6
133.10124	11.7
137.05998	22.3
146.07256	25.0
149.13271	40.1
151.07544	41.2
153.05472	46.2
161.05959	24.4
163.07529	30.9
165.05460	14.8
165.09099	12.4
167.03401	22.0
167.07051	22.2
167.14319	100.0
177.05505	26.9
177.09065	12.0
178.09869	51.3
179.07025	28.9
180.07307	8.9
191.07040	42.3
193.08589	20.7
209.08177	19.2
251.09097	11.3
307.81018	13.0
323.75507	9.9
329.13748	31.2
359.04269	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	391.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89141	8.9
64.91137	9.0
67.05517	17.9
68.53815	12.3
69.03458	9.9
70.02582	9.5
71.05009	18.1
71.31471	11.9
79.05493	14.7
81.07055	25.3
83.08619	10.6
85.02934	9.1
86.93877	8.4
91.05474	31.7
92.25317	8.2
93.07043	36.3
95.08618	33.6
96.41879	8.8
105.07003	15.9
107.04942	19.3
107.08598	27.5
109.10184	20.8
115.05461	11.8
119.04926	11.0
121.06528	27.6
123.04498	9.9
125.06006	10.6
131.04936	8.6
133.10124	11.7
137.05998	22.3
146.07256	25.0
149.13271	40.1
151.07544	41.2
153.05472	46.2
161.05959	24.4
163.07529	30.9
165.05460	14.8
165.09099	12.4
167.03401	22.0
167.07051	22.2
167.14319	100.0
177.05505	26.9
177.09065	12.0
178.09869	51.3
179.07025	28.9
180.07307	8.9
191.07040	42.3
193.08589	20.7
209.08177	19.2
251.09097	11.3
307.81018	13.0
323.75507	9.9
329.13748	31.2
359.04269	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	391.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89141	8.9
64.91137	9.0
67.05517	17.9
68.53815	12.3
69.03458	9.9
70.02582	9.5
71.05009	18.1
71.31471	11.9
79.05493	14.7
81.07055	25.3
83.08619	10.6
85.02934	9.1
86.93877	8.4
91.05474	31.7
92.25317	8.2
93.07043	36.3
95.08618	33.6
96.41879	8.8
105.07003	15.9
107.04942	19.3
107.08598	27.5
109.10184	20.8
115.05461	11.8
119.04926	11.0
121.06528	27.6
123.04498	9.9
125.06006	10.6
131.04936	8.6
133.10124	11.7
137.05998	22.3
146.07256	25.0
149.13271	40.1
151.07544	41.2
153.05472	46.2
161.05959	24.4
163.07529	30.9
165.05460	14.8
165.09099	12.4
167.03401	22.0
167.07051	22.2
167.14319	100.0
177.05505	26.9
177.09065	12.0
178.09869	51.3
179.07025	28.9
180.07307	8.9
191.07040	42.3
193.08589	20.7
209.08177	19.2
251.09097	11.3
307.81018	13.0
323.75507	9.9
329.13748	31.2
359.04269	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	391.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76382	0.5
55.05506	2.8
57.03421	0.7
57.07080	2.6
58.91282	0.5
65.03976	0.6
66.39210	0.5
67.05503	5.4
69.03437	0.7
69.07063	5.1
70.06588	4.4
71.05004	1.0
71.08627	1.3
71.32736	0.8
79.05493	6.3
81.07058	10.2
81.07513	1.0
83.04999	1.4
83.08615	2.5
85.06559	1.6
88.07632	1.7
88.21850	0.6
91.05486	3.5
93.07044	9.4
95.04977	1.5
95.08605	12.4
97.06545	1.6
97.10184	1.5
102.09178	0.8
105.07030	6.3
107.08591	9.0
109.06537	1.0
109.10150	7.3
113.05991	0.6
117.07016	1.6
119.08575	8.1
121.06515	1.3
121.10145	6.6
123.08091	0.7
123.11703	2.9
125.09640	0.7
128.06244	0.6
129.07001	1.2
131.08560	4.0
132.10214	1.0
133.10117	5.6
135.11679	9.2
137.06007	0.8
137.09624	1.5
137.13261	1.1
139.07539	0.8
139.11273	0.7
141.07008	1.3
143.08563	3.5
145.10124	10.4
146.10579	0.9
146.11736	1.3
147.11703	2.9
149.02367	2.3
149.13295	3.0
151.11191	0.8
155.08571	1.9
156.09366	1.0
157.10126	4.0
158.10933	0.8
159.08089	1.1
159.11687	5.9
161.09592	0.9
161.13210	2.7
163.14836	2.1
165.09174	0.8
167.06956	0.7
169.05023	0.5
169.10182	1.8
171.11693	2.6
173.13309	3.0
175.14880	2.1
177.16451	1.2
181.10092	0.6
183.11707	2.4
185.13217	3.5
187.14816	10.6
188.15128	0.6
189.16429	1.7
191.17986	1.0
193.08640	0.7
195.11748	1.2
197.13318	2.1
199.14789	2.9
201.16396	5.1
203.18015	1.1
211.14804	1.5
213.16408	4.0
215.17944	1.8
223.09589	0.9
225.16373	2.0
227.17992	1.8
229.19456	1.0
237.16499	1.3
239.17975	2.0
241.19464	1.6
251.17986	0.6
253.19603	1.8
255.21194	0.7
259.17059	0.7
267.21024	1.2
284.29492	1.3
285.29843	2.6
295.24179	3.0
301.63644	0.6
321.25806	1.1
328.32202	2.3
329.32413	3.9
335.27353	1.0
355.19135	1.4
373.20163	1.9
373.27875	0.8
390.35803	7.7
391.24591	100.0
391.33420	8.2
391.36041	9.2
392.24869	8.2
392.34204	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.4
57.07073	2.3
64.03052	0.7
67.05502	7.5
69.07071	5.3
69.24385	5.6
70.06587	1.3
71.08627	1.8
79.05493	3.7
81.07051	9.6
83.04971	0.8
83.08627	2.4
85.06541	0.8
86.09776	0.6
91.05489	3.5
93.07046	5.3
95.08601	10.5
97.10216	1.5
99.08128	1.0
105.07013	4.3
107.08591	5.1
109.10165	4.8
111.08102	1.2
119.04923	1.0
119.08585	4.4
121.10133	4.8
123.11717	2.1
127.37291	0.8
131.08559	3.8
132.10210	1.4
133.10100	3.5
135.11665	4.9
137.13271	0.9
143.08592	1.1
145.10092	4.5
147.08188	0.8
147.11740	1.8
149.02344	6.3
149.13206	1.8
155.08594	0.9
156.09361	1.1
157.10086	1.3
159.11711	1.9
161.13292	1.2
167.07054	2.7
169.10075	1.7
171.11742	1.6
173.13327	1.5
175.14818	0.9
177.16396	1.2
183.11664	1.1
185.13268	1.5
187.14795	5.1
199.14769	1.7
201.16447	2.0
207.56955	0.7
213.16321	1.3
216.98958	0.7
217.19527	0.8
225.16347	0.8
239.17917	1.2
267.21127	0.9
284.29752	0.9
285.29877	1.4
328.32245	1.8
329.32391	2.2
335.27475	0.9
373.31155	2.5
390.35904	3.2
391.24567	100.0
391.31827	5.1
391.36191	4.7
392.24881	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	391.3357
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97276	0.9
53.03949	1.8
55.05510	9.6
57.07070	4.2
67.05499	13.3
68.39699	0.9
69.07061	14.9
71.33418	1.1
72.19334	1.1
79.05492	9.4
80.05856	1.1
81.07052	27.8
83.08607	7.5
85.06557	1.6
91.05489	6.8
93.07036	15.3
95.04990	1.1
95.08601	33.1
95.09206	1.9
97.10166	4.3
98.98452	1.2
105.07021	14.1
107.08592	18.1
109.10143	15.1
110.63902	1.1
111.11691	2.4
117.07005	5.1
119.08569	14.7
121.10139	15.3
123.11698	9.0
128.06152	1.6
129.07011	3.4
131.08572	9.9
133.10115	15.0
135.11671	11.5
137.06873	1.0
137.13255	3.5
138.47221	1.1
141.07010	1.8
142.07800	1.9
143.08557	11.9
144.09312	1.3
145.10132	16.2
146.10489	1.6
147.11656	9.8
149.02356	6.2
149.13235	11.1
151.14836	3.0
155.01057	1.9
155.08556	4.3
156.09341	2.2
157.10124	15.1
158.10863	5.2
159.11687	21.8
161.13243	5.7
162.58115	1.0
163.14796	10.9
163.81238	1.0
167.08595	1.7
169.10115	9.2
170.10866	1.7
171.11685	10.1
173.13223	8.0
175.14786	6.4
177.16359	7.2
178.16765	1.0
181.10204	1.7
182.10884	1.7
183.11670	9.3
184.12488	1.2
185.13225	8.3
186.13885	1.2
187.14812	14.2
188.15201	1.5
189.16414	6.9
191.17987	2.0
195.11790	2.4
196.12477	2.0
197.13258	10.7
199.14879	6.9
201.16365	29.7
202.16676	2.6
203.17993	3.8
209.13292	1.6
210.13899	1.3
211.14813	5.6
213.16370	6.8
215.18016	6.9
217.19470	2.5
223.14780	3.2
224.15158	1.3
225.16383	4.8
227.17923	6.1
229.19496	5.4
237.16385	2.0
239.17911	12.0
241.19481	11.5
242.19797	1.7
243.21138	3.2
251.17978	1.8
253.19482	10.8
254.19942	1.4
255.20984	5.5
265.19543	2.4
267.21048	12.1
268.21539	1.5
269.22549	2.0
279.21082	1.5
280.21521	1.0
281.22662	5.9
293.22552	2.5
295.24207	16.1
296.24490	1.8
307.24255	2.4
321.25754	6.0
322.26343	1.7
335.27335	3.8
348.28320	2.3
349.28796	1.4
382.75330	1.1
391.33578	100.0
392.33969	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	391.3354
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39994	1.1
53.03938	0.9
55.05507	9.9
57.07057	4.0
65.03923	1.2
67.05150	1.3
67.05501	18.1
69.07068	18.8
69.19718	4.2
69.20140	3.0
71.08627	2.1
76.67651	0.9
79.05489	8.7
81.07050	35.3
81.48856	0.8
83.08610	8.7
91.05484	10.2
93.07044	20.4
94.07366	1.0
95.04974	1.4
95.08600	60.0
96.08959	1.8
97.10159	5.8
103.05511	1.0
105.07037	15.4
107.08584	30.2
109.06488	0.9
109.10153	31.3
111.11724	2.1
115.05474	1.6
117.06994	4.9
119.08575	39.7
120.08919	1.2
121.10137	26.3
122.10457	1.2
123.11690	13.8
128.06163	3.3
129.07008	3.3
130.07784	2.0
131.08560	13.5
131.81729	1.0
133.10117	28.0
135.11691	16.1
137.13222	5.1
141.06967	1.5
142.07744	3.3
143.08560	20.0
144.09309	3.0
145.10117	49.1
146.10478	2.2
147.11687	11.2
148.12010	1.2
149.02284	5.4
149.13226	18.0
150.13579	1.0
151.14922	1.1
155.08551	5.3
156.09354	5.3
157.10127	24.3
158.10849	3.7
159.11682	41.1
160.12070	3.0
161.13264	6.5
163.14801	14.5
165.16417	1.2
167.38870	1.0
168.09412	1.0
169.10117	11.3
170.10852	3.3
171.11682	20.5
172.12260	2.7
173.13220	13.3
175.14832	9.4
177.16365	10.0
181.10089	1.5
181.85455	0.9
182.10909	1.3
183.11668	11.6
184.12378	1.5
185.13245	17.9
186.13644	1.7
187.14803	55.5
188.15161	5.6
189.16370	6.4
190.87759	0.9
191.17941	11.8
192.18294	1.1
195.11688	2.6
197.13254	10.4
198.13913	2.8
199.14793	11.7
201.16373	34.6
202.16669	2.0
203.17961	4.7
205.19492	2.1
209.13248	2.3
211.14835	9.2
212.15268	1.2
213.16379	31.3
214.16708	1.8
215.17935	6.8
217.19481	3.8
218.06741	0.9
219.21182	1.1
223.14842	2.7
224.15565	1.8
225.16296	8.6
227.17935	8.3
229.19566	3.9
237.16364	3.2
239.17949	14.3
240.18333	1.6
241.19505	10.5
243.21056	2.6
251.17937	2.7
253.19542	8.3
255.21085	3.9
255.23827	0.8
263.17825	1.0
265.19357	2.6
267.21042	9.6
268.21533	1.7
269.22595	1.8
279.20981	1.2
281.22559	7.5
293.22626	1.4
295.24182	34.0
296.24597	3.6
297.19370	0.9
307.24326	2.4
308.24393	1.3
309.25940	1.6
319.96011	0.9
321.25766	10.0
322.26123	2.1
325.61874	1.0
335.27377	4.2
340.56924	0.9
349.28979	2.0
391.33557	100.0
392.33890	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	392.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03435	2.4
71.17520	2.5
79.05507	1.8
81.03388	1.4
85.02905	7.6
91.05483	2.9
95.04967	1.5
97.02901	3.3
103.05467	4.1
105.07034	4.2
107.04954	37.7
109.02890	1.5
115.05471	2.0
117.07037	2.3
123.04399	2.2
135.08047	11.6
144.04703	1.5
151.03899	1.9
154.06262	4.1
161.89658	1.1
163.07533	21.9
165.05450	1.4
167.07034	25.6
180.07808	1.7
195.10164	100.0
196.08803	1.2
196.10464	5.3
207.10202	2.1
213.11214	33.2
223.09599	1.3
233.64995	1.3
278.57742	1.3
339.14301	1.2
393.20840	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61563	1.0
69.03410	2.1
69.11047	9.8
79.05498	4.4
85.02908	8.0
91.05478	2.3
97.02891	2.4
98.22634	2.5
103.05474	3.9
105.07048	2.5
107.04952	39.7
107.82261	0.9
115.05489	1.8
117.06969	1.0
118.92303	1.1
121.06486	0.9
124.05189	1.0
127.03909	1.6
127.97182	0.9
131.04945	1.9
135.08046	12.2
145.04860	1.2
145.07680	1.1
146.28111	1.2
151.03905	1.1
152.04669	1.2
154.06244	1.7
163.07539	35.7
164.07921	1.3
167.07036	87.3
168.07451	3.5
175.07539	1.1
180.07816	2.1
181.08649	1.2
183.41162	0.9
195.10170	36.4
196.10526	1.9
213.11217	100.0
214.11537	7.8
233.29822	1.0
383.69467	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12842	0.4
56.90240	0.3
63.23577	0.4
67.30585	0.4
68.05024	1.8
69.20779	3.2
70.06541	0.5
70.79150	0.3
73.02885	1.7
76.12467	0.4
86.70619	0.4
87.26801	0.4
91.05456	0.6
92.50512	0.4
93.06998	0.5
95.04932	0.4
98.23341	0.9
105.07037	0.4
123.04431	0.6
124.05081	0.5
125.05981	2.4
130.04932	0.4
131.04787	0.4
137.05991	0.8
140.03419	0.6
148.05011	0.4
149.04611	0.8
149.05933	0.7
151.02788	0.7
151.03905	7.4
151.05006	0.6
161.06004	0.4
161.08331	0.4
162.06590	0.5
166.07253	0.7
167.06837	0.6
171.06683	0.7
172.06039	1.1
176.09279	0.4
177.05380	0.4
179.06992	1.7
189.06506	0.8
197.08081	3.2
201.06445	1.4
201.26746	0.4
202.07208	1.6
203.08012	2.0
204.08801	7.0
215.07986	1.7
216.08798	100.0
217.09232	5.7
218.10353	5.1
225.06451	11.5
226.05571	0.4
226.07248	4.3
227.08017	1.6
228.08821	1.5
229.09535	0.9
230.10347	10.6
240.08789	55.5
241.09219	4.5
242.10336	0.5
246.09866	6.3
255.09744	0.5
258.09763	1.8
268.08295	4.5
272.11389	3.8
283.09348	0.8
300.10895	50.0
301.11255	3.8
311.08905	0.8
315.11945	0.8
333.13055	3.1
343.11615	2.4
361.12622	4.3
375.14087	3.6
393.15155	18.9
394.15298	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.1
53.04160	0.9
55.01858	3.0
55.05504	1.8
65.03923	5.7
65.91232	0.9
67.05489	7.2
78.04733	1.0
79.05492	2.5
81.03407	11.2
81.07056	2.5
83.04990	1.9
85.02914	1.5
91.05479	9.8
93.03404	3.9
93.07052	8.9
95.04962	25.2
95.08599	2.5
97.05945	2.0
97.06529	20.0
98.23341	1.9
103.05466	7.9
105.07024	3.5
107.04940	3.5
107.08586	1.7
108.02102	3.0
109.06544	1.3
109.10207	1.2
110.03651	1.8
111.04445	2.7
119.04952	2.3
119.08550	1.7
121.06502	14.3
123.04433	15.3
125.05991	8.2
127.07549	100.0
128.07892	2.7
129.07048	1.1
131.04936	3.5
135.04398	1.3
135.08011	1.5
137.05965	4.9
139.03934	6.1
140.04694	6.9
147.04449	1.6
148.05219	1.3
149.06035	5.3
151.03918	4.7
151.07526	1.7
153.05475	2.5
154.05072	1.5
154.06244	16.4
155.07027	36.3
156.07431	1.3
163.07574	2.9
165.05486	1.7
166.06224	5.5
167.07037	8.3
177.05478	8.9
179.07018	8.2
181.04976	21.3
181.08577	46.5
182.05508	1.2
182.08961	2.8
183.06517	63.5
184.07101	3.1
191.06992	1.2
209.08083	35.3
210.08850	30.4
210.10750	2.2
211.09575	6.5
393.05811	1.7
393.14868	2.9
393.19196	2.0
393.23126	2.8
400.49887	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.1
53.04160	0.9
55.01858	3.0
55.05504	1.8
65.03923	5.7
65.91232	0.9
67.05489	7.2
78.04733	1.0
79.05492	2.5
81.03407	11.2
81.07056	2.5
83.04990	1.9
85.02914	1.5
91.05479	9.8
93.03404	3.9
93.07052	8.9
95.04962	25.2
95.08599	2.5
97.05945	2.0
97.06529	20.0
98.23341	1.9
103.05466	7.9
105.07024	3.5
107.04940	3.5
107.08586	1.7
108.02102	3.0
109.06544	1.3
109.10207	1.2
110.03651	1.8
111.04445	2.7
119.04952	2.3
119.08550	1.7
121.06502	14.3
123.04433	15.3
125.05991	8.2
127.07549	100.0
128.07892	2.7
129.07048	1.1
131.04936	3.5
135.04398	1.3
135.08011	1.5
137.05965	4.9
139.03934	6.1
140.04694	6.9
147.04449	1.6
148.05219	1.3
149.06035	5.3
151.03918	4.7
151.07526	1.7
153.05475	2.5
154.05072	1.5
154.06244	16.4
155.07027	36.3
156.07431	1.3
163.07574	2.9
165.05486	1.7
166.06224	5.5
167.07037	8.3
177.05478	8.9
179.07018	8.2
181.04976	21.3
181.08577	46.5
182.05508	1.2
182.08961	2.8
183.06517	63.5
184.07101	3.1
191.06992	1.2
209.08083	35.3
210.08850	30.4
210.10750	2.2
211.09575	6.5
393.05811	1.7
393.14868	2.9
393.19196	2.0
393.23126	2.8
400.49887	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1882
Annotation	Met Arg Ser
Peak:m/z	Relative Intensity
55.05505	1.0
57.07085	1.4
67.05486	1.4
70.95190	1.8
75.10775	0.9
75.88677	0.8
81.03410	1.3
81.07050	1.8
91.05466	2.0
92.72549	0.8
93.07046	2.2
95.04957	1.7
95.08605	1.4
97.06517	1.5
98.22626	1.0
105.07030	1.8
107.04968	1.4
107.08605	1.6
119.08645	1.9
121.10167	1.4
127.07552	3.0
128.06146	1.1
131.08578	1.5
133.10152	1.6
135.04451	0.9
137.05986	0.9
143.08548	1.7
153.05391	1.5
157.10141	1.1
167.07045	1.4
173.13264	3.1
181.05031	1.2
181.08649	1.3
183.06586	1.9
209.07990	1.0
213.09109	1.5
231.13557	1.2
291.08383	1.1
393.18808	100.0
394.19189	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	393.1879
Annotation	Met Arg Ser
Peak:m/z	Relative Intensity
53.85037	0.6
67.05479	1.1
69.07041	0.9
71.32756	1.2
79.05481	1.3
81.07040	2.0
81.10615	0.5
83.08619	0.6
91.05475	2.1
93.07047	1.9
95.08579	2.3
102.03929	0.7
105.07013	1.1
107.08604	1.6
109.10131	0.7
117.07070	0.7
119.08538	1.8
121.10111	0.9
122.26933	0.6
131.08536	1.4
133.10103	1.4
135.07997	0.8
135.11668	1.1
143.67941	0.5
145.10078	1.1
147.11642	0.7
149.02342	2.5
155.01016	0.7
155.08438	1.0
157.10101	1.1
159.11639	1.0
171.11655	1.1
173.13251	0.7
186.87286	0.6
193.04948	2.3
228.23135	0.9
291.53299	0.6
375.17599	0.8
393.18738	100.0
394.19086	10.2
394.25787	2.5
394.30563	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1905
Annotation	Picrasin G
Peak:m/z	Relative Intensity
55.45478	0.6
64.10356	0.6
69.28242	4.1
69.28671	1.1
72.87216	0.6
78.04691	2.8
79.05489	1.2
91.05479	0.6
93.07009	1.3
103.05473	0.8
105.07017	1.4
106.04175	1.2
107.04953	1.2
112.65027	0.6
122.03622	0.7
123.04398	6.1
124.05185	2.4
149.05896	0.8
151.03889	1.5
152.04649	1.7
167.07027	100.0
168.07335	4.4
181.08519	1.2
193.08588	2.6
211.09628	2.2
232.52628	0.7
286.86072	0.6
304.96478	0.7
378.05533	0.7
414.58545	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33681	1.7
68.15824	1.7
70.59103	2.7
70.59416	1.9
81.66457	1.7
83.00964	1.7
91.05451	2.5
94.04179	5.0
105.07018	1.9
107.04910	2.1
107.08596	2.0
112.77063	1.8
122.03622	8.3
137.05971	100.0
138.06297	3.1
146.07822	1.9
159.06119	1.7
163.07533	4.3
167.07054	3.2
181.08598	2.4
393.14877	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	393.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	5.5
55.89124	4.1
64.43649	4.9
69.07060	5.1
69.61095	21.0
69.61504	7.4
74.08716	5.5
79.05494	14.1
81.07053	11.1
91.05469	9.1
93.07034	5.0
95.04951	5.7
95.08617	4.9
102.29518	5.1
105.07015	15.5
107.04946	39.6
107.08568	8.8
109.10102	5.4
119.08537	5.4
121.10118	8.2
131.08588	5.3
135.08017	16.3
137.09602	4.9
155.00940	5.9
163.07515	19.2
167.07034	20.9
173.13266	5.4
180.07755	8.1
181.04977	5.4
195.10150	100.0
217.48132	5.0
227.31065	4.9
277.61719	5.4
304.33530	5.4
307.00052	4.8
393.18750	16.2
393.22803	10.0
393.27133	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	393.1903
Annotation	Picrasin G
Peak:m/z	Relative Intensity
56.46384	1.8
65.03944	2.4
67.05516	2.0
69.07063	3.0
71.34214	1.7
79.05470	6.2
81.07037	5.2
85.99981	1.8
91.05486	9.9
93.07045	5.3
95.04961	2.5
95.08588	1.9
98.98508	1.8
103.05473	4.6
105.07017	19.9
105.23399	1.9
107.04953	5.9
107.08562	2.8
109.06503	2.4
111.04461	2.6
115.05457	4.6
117.07018	6.0
119.04948	4.8
119.08548	3.0
121.02901	1.7
121.06510	5.9
123.04439	6.5
123.08048	2.2
125.06078	1.7
128.06226	2.0
131.04922	11.3
132.05690	9.6
133.06476	12.1
137.05966	36.8
139.03833	2.7
145.06528	2.3
145.10127	2.2
147.04413	3.2
149.05963	2.3
151.03914	3.4
151.07532	11.9
152.04616	1.9
153.05504	2.9
160.05211	6.0
161.05962	18.5
162.06703	4.1
163.03908	1.8
163.07553	4.1
165.05452	4.8
167.03404	7.4
167.07028	34.3
167.08298	3.0
168.07297	1.8
175.07530	3.5
177.05524	4.7
177.09102	100.0
178.09439	5.0
179.06985	2.4
181.04926	3.0
181.08589	2.3
191.07037	4.0
192.07826	24.7
193.08594	43.6
194.09003	4.7
194.45224	1.6
195.10168	6.6
221.08064	2.1
221.11758	3.5
236.71355	2.1
255.06445	1.8
309.47003	1.8
313.14185	2.0
343.11542	4.1
393.10858	2.0
393.18945	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.5
65.03925	0.5
66.66251	0.4
68.36427	0.5
71.34154	0.7
78.04712	3.4
79.05070	0.5
79.05480	2.1
81.07056	0.8
91.05475	1.7
93.07016	0.8
94.04147	0.6
95.04967	0.8
103.05464	1.0
105.07023	1.1
106.04171	2.2
107.04949	1.6
115.05441	0.5
119.04887	0.6
121.06497	1.3
123.04424	8.1
124.05190	2.2
131.04924	0.7
131.08566	0.6
133.02834	0.8
133.06499	1.4
137.02379	0.5
137.05974	2.0
147.04364	0.8
149.05988	1.2
151.03871	1.9
151.07527	0.6
152.04683	1.4
153.05435	0.9
161.05943	1.7
165.05435	0.5
166.41980	0.5
167.07028	100.0
168.07339	4.1
169.71727	0.4
170.80974	0.4
176.45245	0.4
177.09053	3.5
179.07045	0.7
181.08641	0.8
193.08586	3.9
195.10262	0.7
197.05989	0.6
199.03835	0.6
211.09692	1.3
255.06538	0.7
257.08160	0.5
283.02283	1.2
302.92053	0.5
389.85187	0.5
393.18820	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1905
Annotation	Picrasin G
Peak:m/z	Relative Intensity
55.05494	3.8
59.04984	3.2
59.27416	1.8
65.03940	1.8
66.79974	1.5
67.05495	9.7
69.03425	5.9
69.07053	4.5
70.06538	2.1
70.09686	1.7
71.04990	28.8
71.50562	1.8
72.87001	1.7
75.11675	1.6
75.52371	1.6
79.05474	8.9
81.07047	10.5
83.04988	2.1
91.05480	14.6
93.07031	11.1
95.04949	5.1
95.08592	14.0
105.07022	21.2
107.08591	13.6
109.06517	5.0
109.10163	12.9
111.08050	2.4
113.05938	2.1
117.07011	4.2
119.08566	21.7
121.06512	10.5
121.10134	7.2
123.08038	8.1
123.11715	4.1
124.71220	1.6
129.07016	3.5
131.08568	5.7
133.06482	18.3
133.10114	29.5
133.43454	1.7
135.08075	3.3
135.11670	9.3
137.09628	4.3
141.05466	8.6
143.08531	3.8
145.10110	4.8
147.07018	2.6
147.08058	33.1
147.11682	3.2
149.05948	4.1
149.09572	2.6
149.13255	2.8
151.07558	9.3
151.11177	100.0
152.11504	7.7
155.08562	1.7
157.04929	2.6
157.10063	2.9
159.08060	3.1
159.11684	4.7
161.05933	4.0
161.09669	2.2
161.13284	3.3
165.05388	1.8
167.07137	2.0
169.12241	7.1
171.11543	3.7
173.13257	3.3
175.07579	2.8
177.05511	2.1
179.07018	5.0
185.13191	2.7
187.11177	2.8
187.14850	4.9
189.05443	14.6
189.09079	5.0
189.12735	4.9
191.07076	3.9
191.14215	1.8
193.08650	2.6
195.11681	3.1
197.08083	5.1
198.08365	1.9
199.11131	3.5
201.08929	1.9
201.12834	2.2
201.16324	1.8
203.10786	2.5
207.06520	11.5
209.08041	2.0
213.12735	5.0
215.10657	2.6
217.12257	7.0
219.13782	2.5
225.07553	66.1
225.09647	3.8
227.10651	5.8
241.12195	15.8
243.10278	3.3
245.11746	13.9
259.13287	42.3
260.13586	2.3
261.11374	3.6
261.14804	2.0
263.12784	15.4
271.09778	2.6
277.14444	13.5
279.12283	3.0
287.12735	5.1
289.10712	2.5
305.13760	4.9
307.11740	18.2
311.16339	4.4
323.14807	3.8
329.17303	9.2
331.19159	3.6
347.18414	3.9
357.16766	6.1
375.17847	5.8
393.18332	2.3
393.22714	4.4
393.27573	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	393.227
Annotation	(-)-12,12'-Methylenedicytisine
Peak:m/z	Relative Intensity
52.82765	1.2
53.03938	1.8
55.05516	13.3
55.26192	1.3
57.07074	18.4
57.37428	1.2
62.51814	1.3
67.05505	17.7
69.07074	9.0
69.19988	11.6
69.24784	1.3
71.01340	1.2
71.04975	4.3
78.23389	1.4
79.05485	10.6
81.07056	24.4
82.07413	1.2
83.01336	4.3
83.04971	3.4
83.08606	5.8
85.06537	11.1
88.59418	1.3
89.03902	1.5
91.05476	13.4
93.07044	30.2
94.35754	1.7
95.04962	2.5
95.08602	20.7
97.06538	3.5
97.10158	5.3
100.92910	1.6
105.04491	1.3
105.07041	15.2
107.08593	38.5
108.08940	1.7
109.06502	3.7
109.10158	17.8
111.04384	1.4
119.08559	7.2
121.10141	11.0
123.08087	1.8
123.11709	12.7
125.01548	100.0
125.09572	1.6
127.07506	1.2
127.11160	1.4
131.08551	4.9
133.10132	21.2
135.08044	5.9
135.11684	3.9
137.05966	1.4
137.13246	2.4
139.03065	4.7
139.11134	1.7
141.05418	1.6
143.08559	2.1
145.10143	6.8
147.11687	4.0
148.12045	1.5
149.06010	2.4
149.13242	2.3
151.11179	18.1
153.05460	10.8
155.08499	1.8
157.10100	1.3
159.11707	3.3
161.05957	2.0
161.13290	2.4
163.07480	2.4
163.14790	1.5
165.05470	2.1
167.06207	35.8
167.07489	2.2
169.04974	4.5
171.11618	2.0
173.09688	2.2
173.13210	2.9
175.07523	2.2
175.14763	2.6
177.05469	10.5
177.09108	6.1
179.07045	1.9
183.08047	16.4
187.14778	2.2
189.16362	1.8
191.07016	3.9
195.06580	2.0
201.16261	2.2
204.07745	2.5
205.08662	2.3
211.07510	2.3
213.16426	2.7
215.17900	2.2
219.10146	32.0
220.10527	3.0
225.11230	6.3
227.10619	1.7
228.10158	4.8
231.10245	2.7
233.08205	1.4
233.11684	3.9
235.09708	3.5
237.11215	39.6
238.11530	2.3
239.17833	1.7
243.10173	3.8
249.11229	2.2
251.12708	1.6
253.10663	2.2
254.53476	1.4
257.11792	2.9
261.11191	6.0
261.22015	1.6
263.24429	1.3
273.14844	27.5
274.15134	2.1
275.12708	10.3
279.23343	2.3
283.13116	1.7
291.15839	7.6
295.74332	1.6
297.14941	1.5
299.16476	1.8
305.17371	1.3
315.15814	2.1
317.17435	5.8
339.19476	2.5
357.20563	33.4
358.20950	4.6
375.21646	12.6
393.26038	5.9
393.31064	4.4
393.35263	3.0
394.27176	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2271
Annotation	(-)-12,12'-Methylenedicytisine
Peak:m/z	Relative Intensity
55.05499	9.1
57.03433	2.9
57.07077	42.5
60.31142	1.9
65.03950	2.0
67.05502	18.4
69.06479	20.0
69.07076	9.4
71.04988	3.0
71.08620	11.0
79.05482	11.5
81.07052	51.5
82.77692	2.0
83.01325	3.8
83.08617	7.5
85.06109	1.8
85.06542	12.4
85.10164	5.9
91.05479	12.6
93.07039	36.9
95.04971	5.0
95.08604	33.5
97.10159	3.4
98.98468	27.4
105.07022	16.7
107.08591	50.4
109.06500	3.7
109.10152	21.8
119.04922	2.1
119.08584	4.6
121.10126	6.4
122.10377	2.4
123.11699	100.0
124.12011	5.0
125.09630	2.9
127.11121	2.2
131.08543	5.4
133.10117	20.9
135.08037	6.9
135.11682	4.4
137.05928	2.4
143.08595	2.5
145.10115	7.8
146.30022	2.0
147.08080	2.9
149.13301	2.6
151.11159	22.3
153.05466	14.3
155.01045	40.0
159.11679	2.9
161.05925	3.0
163.07623	3.0
163.14801	2.3
167.07091	2.2
169.05028	2.3
169.12196	3.2
173.09653	3.3
173.13350	2.2
175.11206	2.2
177.05481	14.6
177.09081	8.9
179.06996	4.1
185.13373	3.0
191.06953	3.9
193.04938	2.6
199.14838	2.2
201.09100	3.2
203.10699	2.8
204.07744	4.1
205.08614	2.3
207.10240	3.2
211.14734	2.3
215.10611	2.6
217.08694	2.0
219.10133	44.9
225.11220	7.4
231.10199	3.5
233.11740	4.6
235.09650	7.4
237.11194	54.5
238.11613	2.3
239.17932	2.3
239.23813	2.7
243.10191	4.9
253.10709	12.3
257.11737	5.9
261.11230	5.9
273.14865	40.4
275.12723	12.5
291.15948	11.6
299.16336	5.7
301.14172	2.5
315.15942	2.0
317.17365	4.6
339.19534	3.6
357.20584	39.6
357.27365	2.6
358.20850	4.0
375.21674	33.3
375.28717	3.0
376.21927	3.7
393.30563	4.7
393.35266	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99600	0.5
53.03910	0.6
55.05505	6.2
57.03424	4.7
57.07071	31.1
67.05147	0.9
67.05496	15.0
69.07061	9.2
71.08624	22.9
72.08914	0.8
79.05491	3.2
81.07050	20.7
83.08611	12.0
85.06527	0.7
85.10174	14.7
86.10502	0.8
91.05466	2.6
93.07034	3.3
95.04940	0.9
95.08597	28.1
96.08952	0.8
96.35583	0.5
97.10166	6.4
98.98457	64.3
99.11739	0.9
105.07028	3.3
107.08573	3.8
109.10145	14.2
111.11693	1.6
116.99448	0.9
117.06979	0.6
119.08573	2.8
121.10133	2.5
123.11691	7.1
125.13234	1.4
129.06973	0.7
131.08553	1.1
133.10130	3.1
135.11699	1.8
137.13226	3.5
139.14752	0.8
143.08578	1.1
145.10097	2.0
147.11668	2.1
149.13240	1.6
151.14757	1.1
155.01024	100.0
156.01372	1.8
157.10133	0.8
159.11659	1.7
161.13261	1.2
163.14886	1.0
165.16417	0.7
171.11705	0.9
173.02446	0.6
173.13321	0.9
175.14832	1.3
177.16420	0.6
187.14827	2.4
189.16386	1.9
191.17813	0.9
196.03796	0.8
197.69878	0.5
199.14745	0.7
201.16411	1.6
203.17871	2.9
213.16289	0.9
215.17868	1.2
227.17943	0.5
231.21167	0.7
239.23668	6.5
240.23860	0.7
255.20937	0.7
393.30939	0.9
393.35391	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	393.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44939	0.7
53.72571	0.8
55.01874	0.8
55.05288	0.8
55.05510	8.8
56.90738	0.7
57.03437	5.0
57.07074	35.7
58.07390	1.1
66.87144	0.7
67.05161	1.1
67.05502	15.8
69.07064	12.7
70.48712	1.5
71.08630	26.3
72.08955	0.7
79.05501	4.9
81.07053	26.9
83.08618	12.7
85.10181	16.1
89.06036	0.8
91.05459	3.0
93.07057	7.0
95.08602	35.6
96.08921	1.4
97.10168	7.7
98.98463	72.9
99.08118	0.8
99.11720	0.9
105.07037	4.6
107.08581	7.4
109.10150	18.1
111.11750	2.4
115.47913	0.6
116.99559	0.8
117.07018	1.2
119.08583	6.2
121.10151	5.8
123.08128	0.9
123.11700	9.2
125.13242	1.5
125.33327	0.8
129.06985	1.1
131.08508	3.7
133.10121	4.6
134.80757	0.8
135.11676	3.3
137.13246	5.0
139.14830	0.8
140.00974	0.7
143.08575	1.6
145.10117	3.9
147.11696	3.7
149.13297	3.5
151.14850	1.5
155.01035	100.0
155.08511	0.8
156.01387	0.9
157.10159	2.0
159.11714	2.4
161.13222	2.0
163.14822	3.0
165.16472	0.8
169.10164	0.8
171.11658	2.5
173.02095	0.8
173.13268	2.7
175.02548	0.7
175.14845	2.4
177.16394	1.1
185.13249	1.5
187.14815	4.3
189.16455	2.0
191.17917	0.8
195.12189	1.3
197.13194	0.9
199.14803	0.9
201.16389	2.3
203.17976	2.7
213.16368	1.8
215.18021	1.6
221.22743	1.0
225.16507	1.0
229.19476	1.1
239.23703	6.3
241.19371	1.2
255.21088	1.1
265.31342	0.8
269.22528	1.4
357.27728	0.8
393.30923	3.9
393.35126	10.2
394.31363	1.0
394.35904	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	2.5
57.07048	1.2
59.60934	0.9
67.05492	5.0
69.07053	3.0
69.37003	2.5
69.37418	3.5
79.05486	3.9
81.07034	7.1
83.08575	1.3
83.14627	0.8
91.01402	0.8
91.05476	3.1
93.07027	3.6
95.08605	8.9
97.06525	1.6
97.10152	1.3
98.98425	0.9
105.06992	4.3
107.08583	6.4
109.10153	4.6
119.08585	6.4
121.10134	4.3
123.08073	1.4
123.11641	1.4
125.09634	1.2
129.07010	1.6
131.08569	2.7
133.10123	3.2
135.08037	0.9
135.11665	3.0
137.13287	1.3
143.08530	3.2
145.10118	3.7
147.11597	1.6
149.13210	2.1
157.10121	3.8
159.11647	6.3
161.13275	3.8
163.14854	0.8
169.10094	1.4
171.11716	2.5
173.13266	1.9
175.14790	1.6
183.11612	1.6
185.13350	1.1
185.26410	1.0
187.14876	2.9
189.16365	1.5
195.11815	1.4
197.13278	1.0
201.12729	0.9
201.16412	1.9
211.14754	1.2
215.17937	1.1
239.17976	3.8
253.19543	2.0
297.22028	4.8
311.77063	1.0
357.28076	0.9
375.30408	1.7
393.26105	100.0
393.31137	6.1
394.26453	11.6
394.31201	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	2.5
57.07048	1.2
59.60934	0.9
67.05492	5.0
69.07053	3.0
69.37003	2.5
69.37418	3.5
79.05486	3.9
81.07034	7.1
83.08575	1.3
83.14627	0.8
91.01402	0.8
91.05476	3.1
93.07027	3.6
95.08605	8.9
97.06525	1.6
97.10152	1.3
98.98425	0.9
105.06992	4.3
107.08583	6.4
109.10153	4.6
119.08585	6.4
121.10134	4.3
123.08073	1.4
123.11641	1.4
125.09634	1.2
129.07010	1.6
131.08569	2.7
133.10123	3.2
135.08037	0.9
135.11665	3.0
137.13287	1.3
143.08530	3.2
145.10118	3.7
147.11597	1.6
149.13210	2.1
157.10121	3.8
159.11647	6.3
161.13275	3.8
163.14854	0.8
169.10094	1.4
171.11716	2.5
173.13266	1.9
175.14790	1.6
183.11612	1.6
185.13350	1.1
185.26410	1.0
187.14876	2.9
189.16365	1.5
195.11815	1.4
197.13278	1.0
201.12729	0.9
201.16412	1.9
211.14754	1.2
215.17937	1.1
239.17976	3.8
253.19543	2.0
297.22028	4.8
311.77063	1.0
357.28076	0.9
375.30408	1.7
393.26105	100.0
393.31137	6.1
394.26453	11.6
394.31201	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.3
55.01870	8.3
55.05516	15.3
57.03154	2.2
57.03436	41.5
57.07075	14.0
64.61324	1.6
65.03941	3.7
67.05505	52.0
68.05826	2.5
69.03426	2.8
69.07067	14.0
71.04979	5.7
71.08618	5.9
71.96187	1.6
79.05492	29.2
81.03384	1.6
81.07058	42.9
83.04974	4.6
83.08617	12.0
85.06055	2.5
85.06544	36.5
85.10171	4.3
86.06074	1.5
88.91276	1.4
89.06023	10.0
91.05480	22.8
91.41711	1.6
92.05806	2.3
93.07049	32.3
95.04969	54.0
95.08025	3.2
95.08602	43.6
97.06512	4.0
97.10148	6.2
97.20210	1.5
98.98460	12.1
99.08083	1.6
103.44144	1.5
105.06357	2.4
105.07029	25.5
107.04946	7.9
107.08595	29.6
109.06519	58.9
109.10154	20.1
111.08049	3.1
113.06005	100.0
114.06348	2.5
115.05415	2.1
117.07023	11.1
119.08569	22.1
121.06510	5.2
121.10143	20.1
123.08058	4.8
123.11709	6.9
128.06252	2.3
129.06984	9.9
130.07794	1.8
131.08569	19.6
133.06511	3.2
133.08611	2.8
133.10130	13.3
135.07047	3.5
135.08047	49.5
135.11671	11.9
137.05977	1.6
137.09621	1.7
137.13254	3.2
141.07013	1.9
142.07796	2.7
143.08591	7.5
145.10097	15.1
147.08054	5.3
147.11751	7.7
149.09618	6.0
149.13249	6.7
151.11188	2.0
155.01045	17.5
157.10095	8.1
159.11688	14.8
161.09541	8.8
161.13249	6.4
163.11163	2.4
163.14819	5.5
171.11679	4.0
173.11897	1.9
173.13240	8.7
175.11195	2.9
175.14812	2.7
177.12764	3.3
177.16373	3.7
183.11736	3.9
185.13251	2.8
187.14839	4.9
189.16347	5.6
191.17996	3.9
195.10545	1.5
195.12201	9.9
195.13777	1.8
199.14844	5.0
201.12758	3.9
201.16425	5.7
203.17924	4.0
211.14890	1.8
213.16449	1.9
215.18057	3.2
217.15880	13.3
217.19495	2.3
227.17867	4.5
241.19489	2.9
243.21112	2.3
255.17447	3.1
273.18478	25.4
274.18936	2.6
291.19531	60.0
292.19818	2.8
375.29007	5.1
393.35300	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	393.3148
Annotation	Ergosta-4,6,8(14),22-tetraen-3-one
Peak:m/z	Relative Intensity
53.03939	0.5
55.05504	3.6
57.07072	6.2
67.05509	3.1
69.07067	40.1
70.07392	1.2
71.08633	1.7
79.05473	1.1
80.45270	0.6
81.07053	5.4
83.08617	9.0
84.96285	0.5
91.05520	1.0
93.07044	1.6
95.08613	4.5
97.06528	5.4
105.07027	0.8
107.08597	1.9
109.10166	5.0
119.08616	0.9
121.06574	0.7
121.10140	1.5
123.11729	2.1
125.13251	1.7
129.07018	1.7
131.08601	1.3
137.13414	0.6
141.06964	0.9
142.07759	0.6
143.08553	1.7
145.10115	1.7
155.08612	2.7
157.06540	0.6
157.10156	2.5
159.08089	1.6
159.11594	0.7
166.66605	0.6
169.10176	2.0
170.10896	1.4
171.11713	1.8
173.09627	2.8
174.10371	0.9
181.10155	2.0
182.10951	0.8
183.11642	3.7
184.12245	0.6
185.09700	0.9
185.13263	1.2
185.55434	0.5
191.18065	0.6
193.10175	0.8
195.11716	1.9
197.09651	1.5
197.13254	2.9
198.10359	0.7
199.11150	2.9
199.14804	0.7
207.11684	0.6
209.13211	5.3
210.13712	0.8
211.11258	1.1
211.14673	2.8
213.12814	0.6
214.13641	1.4
215.14328	2.1
221.13245	0.7
223.14885	2.2
224.15578	3.6
225.12741	1.2
225.16295	1.4
226.17076	1.3
227.14241	1.6
235.14821	2.0
240.15088	0.7
241.15866	2.5
249.16510	0.8
251.17978	1.5
253.15872	12.7
254.16243	1.7
267.17447	5.1
268.18213	49.8
269.18735	8.5
322.30835	0.5
335.27460	1.0
359.05511	0.5
393.31497	100.0
394.31830	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	393.3513
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.2
55.05503	16.7
57.03428	2.0
57.07071	15.6
67.05505	30.7
69.04774	4.7
69.05179	14.9
69.07062	32.6
71.08630	2.1
71.77862	1.8
77.44164	1.7
79.05482	14.0
79.07024	1.7
81.07051	67.3
83.08617	20.4
85.10197	3.3
89.06017	5.0
90.13592	1.7
91.05466	11.1
93.07041	31.7
95.08601	99.3
97.10175	14.2
98.98446	5.0
102.41395	1.8
105.07027	32.1
107.08584	49.0
109.10148	46.8
110.10474	2.7
111.11724	6.1
117.07024	5.1
119.08571	36.1
121.10141	35.1
123.11700	26.4
125.13208	2.3
129.06985	4.8
131.08577	17.4
133.10127	27.1
135.11679	22.8
137.13260	23.4
142.07738	1.9
143.08546	8.9
145.10098	23.0
147.11674	22.9
149.13237	22.3
151.14761	3.1
155.01021	9.0
156.09335	2.0
157.10097	9.8
159.11720	20.4
161.13231	15.6
163.14813	19.9
165.16408	2.1
171.11639	11.1
173.13269	13.6
175.14807	18.2
177.16382	17.9
183.11757	2.1
185.13281	8.8
187.14771	20.1
189.16397	16.3
191.17976	7.2
192.18443	2.3
199.14847	8.8
201.16367	18.5
203.17921	28.5
205.19521	3.7
213.16364	18.7
214.17015	2.8
215.17949	14.6
217.19528	10.0
219.21091	2.1
227.17879	10.0
229.19374	9.7
231.21138	4.3
239.18083	2.0
241.19522	14.2
242.19933	2.6
243.21097	7.0
255.21062	21.1
257.22708	6.9
269.22595	11.5
283.24289	5.0
295.24442	2.1
297.25809	9.4
323.27316	5.4
351.30560	2.1
393.35168	100.0
394.35587	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	393.3513
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78435	2.4
55.05512	16.8
56.80718	2.3
57.07067	44.2
67.05499	23.7
69.07066	22.3
71.08639	23.8
71.34129	3.4
73.06559	4.9
75.90979	2.2
77.29051	2.5
79.05501	16.3
81.07053	51.1
82.30228	2.4
83.08617	13.2
85.10174	23.7
89.06024	100.0
90.06377	2.8
91.05473	18.0
93.04704	2.2
93.07037	33.3
95.08601	82.7
97.10161	7.7
99.11717	6.0
105.07020	38.1
107.08588	45.5
109.10146	39.0
111.11716	4.8
117.07050	3.2
119.08569	55.8
121.10139	33.3
123.11687	18.9
131.08572	12.1
133.08597	42.0
133.10101	22.8
135.11674	21.7
137.09644	2.7
137.13266	10.1
143.08534	7.8
144.09338	2.8
145.10118	19.3
147.11690	25.4
149.13245	14.8
151.09671	3.0
157.10156	7.3
159.11664	25.4
161.13251	16.2
163.14825	17.4
171.11638	7.5
173.13268	13.8
175.14822	18.0
177.11234	6.7
177.16376	8.4
178.74210	2.6
185.13251	6.7
187.14815	22.8
189.16357	28.1
191.17877	23.0
195.12247	4.7
199.14716	5.8
201.16420	13.9
203.17926	31.0
205.19406	3.0
213.16360	10.0
215.17873	7.3
217.19530	4.6
227.17897	4.0
229.19502	6.0
230.91687	2.9
239.14845	10.9
241.19431	3.9
243.21088	4.0
255.21156	6.9
257.22552	2.8
269.22687	3.2
393.26242	4.7
393.30530	12.2
393.35260	65.8
394.35419	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	393.3514
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	13.9
57.07069	6.2
59.37997	2.5
60.70795	2.4
67.05502	16.6
69.07066	19.6
70.99167	3.0
70.99488	4.4
71.08625	5.4
77.49322	2.9
79.05497	12.9
81.07056	45.1
81.12431	2.6
83.08622	11.8
84.08163	6.6
87.94650	2.7
89.06023	4.0
91.05495	13.8
93.07042	24.5
95.08607	73.0
97.10175	5.6
98.98506	4.4
102.72943	2.9
105.07034	33.1
106.07355	3.0
107.08595	32.9
108.08978	3.0
109.10166	26.8
111.11775	3.3
111.59617	2.5
117.07093	3.1
119.08575	28.7
121.10153	23.1
123.11717	15.1
129.06990	3.0
129.10252	3.3
131.08592	8.9
133.10133	27.5
135.11708	13.8
137.13271	18.3
142.07880	3.0
143.08595	6.5
145.10136	10.9
147.11693	22.5
149.13292	13.8
155.01077	4.7
155.11844	5.8
157.10150	5.5
159.11732	12.5
161.13295	11.4
163.14828	12.8
171.11728	17.3
173.13275	12.3
175.14859	15.6
177.16438	9.5
183.11647	5.6
187.14812	22.5
189.16406	20.2
191.17955	6.7
195.12196	5.7
197.13284	6.8
199.14819	4.1
201.16429	7.0
203.17973	26.5
211.14789	3.2
212.15627	2.9
213.16377	16.9
215.17975	8.6
217.19731	3.0
227.18007	7.5
229.19485	5.2
241.19603	8.2
243.21089	5.0
255.21132	8.5
269.22791	3.7
393.35199	100.0
394.35391	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	393.3513
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	9.4
57.07072	13.8
67.05495	20.1
69.07061	19.7
69.19723	15.8
71.08627	5.1
74.30629	1.6
79.05482	8.5
81.07050	42.0
83.08632	10.1
85.10166	2.9
89.06041	3.8
91.05474	50.9
93.07037	25.9
95.08600	66.3
96.08907	1.9
97.10180	6.4
98.22518	3.1
98.98421	1.8
104.52786	1.5
105.07019	25.8
107.08588	32.7
109.10146	32.2
116.05337	4.1
116.85860	1.6
117.07045	4.1
119.08574	30.5
121.10134	23.4
123.11690	14.1
131.08553	9.3
133.10117	24.2
135.11681	19.9
137.13260	18.7
143.08566	7.0
145.10089	14.2
147.11670	23.0
149.13243	19.4
155.01038	3.7
157.10078	4.9
159.11708	14.4
161.13274	10.4
163.14833	7.9
171.11681	11.0
172.11536	2.7
173.13304	5.3
175.14807	15.4
177.16393	14.1
183.11646	3.8
185.13297	2.7
187.14816	20.1
189.16386	23.2
191.17897	9.0
195.12331	2.1
199.14822	5.6
201.16393	13.5
203.17924	25.8
205.19469	6.0
212.15585	3.3
213.16295	10.6
214.17056	2.5
215.18004	9.1
217.19492	3.9
219.21039	2.4
227.17912	6.1
229.19542	6.0
241.19437	5.6
243.21182	7.4
255.21115	6.1
257.22641	3.7
269.22562	6.3
323.27573	2.4
371.36386	2.0
393.35138	100.0
394.31061	39.7
394.35532	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	393.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03420	1.6
53.70530	1.5
55.05503	17.5
57.07070	14.2
59.02090	1.8
62.89349	1.6
67.05495	29.1
69.07065	33.5
71.08628	3.8
79.05500	20.5
80.46637	1.7
81.07054	75.4
83.08613	10.8
86.63165	2.0
91.05470	24.7
93.07037	44.5
94.07391	2.1
95.08602	100.0
96.08935	2.3
97.10165	9.2
98.98456	2.0
105.07030	45.2
107.08591	48.1
109.06523	2.9
109.10151	51.8
110.10534	1.9
111.11728	4.4
117.07003	10.9
119.08569	48.2
120.08917	2.2
121.10139	48.9
121.10976	3.8
123.11686	21.0
128.06126	2.6
129.07050	5.5
131.08553	18.4
133.10124	42.1
135.08041	2.1
135.11694	27.6
136.12051	2.9
137.13240	23.1
141.06990	1.9
142.07768	1.9
143.08543	10.6
145.10120	29.8
146.10568	2.5
147.11676	29.4
149.09621	6.4
149.13271	27.3
151.14804	2.9
155.01028	4.5
156.09395	2.3
157.10094	11.4
159.11668	23.5
161.13245	22.0
163.14862	16.9
169.10097	2.4
171.11690	12.8
172.12483	1.9
173.13219	20.0
175.14813	22.1
177.16345	19.8
181.10039	2.5
183.11705	5.0
185.13252	12.0
187.14810	32.4
188.15137	3.4
189.16368	58.2
190.16754	3.2
191.17969	12.2
197.13264	3.7
198.14029	2.9
199.14815	9.3
201.16350	23.4
202.16835	2.1
203.17918	26.6
205.19540	5.5
211.14908	4.1
213.16354	23.9
215.17908	24.3
217.19592	7.2
219.17450	4.8
225.16353	2.8
227.17978	7.7
229.19572	7.9
231.21072	3.0
232.92723	2.0
239.17938	2.7
241.19440	10.3
243.21042	13.0
244.21410	2.1
255.21130	17.6
257.22693	5.3
269.22531	9.7
271.24347	3.0
297.25787	2.0
307.53311	1.8
323.27362	2.5
334.66180	1.9
337.28738	2.8
375.29910	2.2
393.25983	3.8
393.30515	15.3
393.35217	98.6
394.35565	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	394.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	13.5
55.05499	2.9
56.05018	2.3
57.03432	3.2
58.99582	18.4
59.04984	2.9
60.04500	2.3
61.01145	4.3
62.99078	13.4
67.05493	10.6
69.03426	3.5
69.07066	91.9
70.06576	2.5
71.31222	2.5
73.01109	2.4
73.83987	1.6
74.00659	18.3
76.03992	4.1
79.05441	2.0
81.03416	3.8
83.04964	2.7
83.06088	6.1
84.04503	58.6
85.01112	2.7
85.02903	4.0
85.04025	1.9
85.04868	2.2
86.99048	8.2
88.02211	12.3
93.07037	6.8
95.04980	2.7
95.08607	2.0
97.02889	2.5
97.06519	2.4
99.02686	2.7
99.04485	2.2
99.05591	2.3
101.04239	25.6
105.06988	2.6
109.02847	2.8
109.06490	3.0
112.03965	15.3
116.01675	50.9
116.07076	2.9
117.03720	18.5
118.22425	1.9
119.05277	29.9
127.03946	2.6
127.05800	10.8
129.06583	14.8
130.04997	53.9
131.05324	1.9
137.05968	5.1
142.06810	1.9
144.01131	25.2
144.08432	4.8
145.06868	34.9
146.07156	2.4
153.05412	3.1
160.00659	2.2
162.02194	89.9
162.03535	4.5
162.09471	10.8
163.02414	1.9
165.05505	9.2
174.02162	3.1
179.07060	2.5
183.06509	4.9
191.07338	3.2
197.08035	12.7
213.10262	2.3
230.08458	47.9
230.10730	3.1
231.08765	3.0
243.11258	2.5
247.11061	6.7
248.09509	100.0
249.09805	5.0
265.12152	35.4
271.10696	8.2
277.20572	1.7
307.42035	2.0
313.12122	3.5
315.13535	2.2
319.13220	26.9
320.13568	2.1
331.13031	3.5
352.67114	1.7
359.12387	3.9
376.15225	1.8
377.13287	6.2
394.16232	9.7
395.09247	10.5
395.14307	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	394.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	1.0
57.03444	1.5
61.02925	1.3
63.25640	0.9
69.03436	2.4
71.23630	1.4
71.23981	1.3
72.54067	1.0
79.05496	1.1
81.03429	2.2
85.02901	9.5
86.33660	1.1
86.77662	1.1
91.05480	3.7
94.31192	1.3
97.02896	2.1
109.02901	1.0
114.65031	1.2
119.04943	8.2
123.04427	56.4
124.04765	1.2
129.98645	1.1
137.05984	10.1
145.04924	1.6
147.04405	18.2
148.04739	1.1
151.07565	3.4
153.05466	6.4
164.04715	6.4
165.05492	2.1
179.07034	13.9
197.08080	100.0
198.08450	4.7
231.55391	1.2
312.83740	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.0
57.03415	1.7
61.02937	1.9
62.00529	1.3
69.03439	3.4
69.61046	8.3
74.06077	2.5
78.63537	1.2
79.05493	1.6
81.03421	1.6
85.02891	14.4
91.05465	6.4
97.02908	3.5
98.23296	2.5
107.04974	2.0
110.03687	3.8
111.94073	1.4
112.09481	1.3
119.04941	23.0
123.08110	1.9
135.04440	3.5
135.77966	1.3
136.05199	1.3
138.03128	4.4
147.04419	10.3
151.07545	12.8
153.05464	100.0
167.07069	4.7
179.07027	93.7
180.07367	4.8
180.08788	3.2
197.08084	36.6
198.08435	2.5
215.09137	15.1
216.09537	1.2
233.15021	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76826	0.4
62.24120	0.3
69.24926	2.0
69.25340	0.6
79.05489	0.4
81.07007	0.4
91.05479	0.9
91.58114	0.3
94.04173	1.4
95.08573	0.4
98.74068	0.3
105.07001	0.4
107.04946	0.6
119.04938	0.7
122.03635	4.0
131.04880	0.7
137.05965	100.0
138.06293	3.4
144.18202	0.3
148.17554	0.3
151.07521	0.4
163.07553	1.7
181.08568	4.4
251.09137	0.5
394.19165	16.1
395.19885	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.3
57.07070	4.2
59.04982	2.0
60.00161	1.2
67.05503	4.6
69.03408	1.9
69.07050	3.3
69.71837	4.8
70.06584	6.1
79.05492	4.7
81.07050	5.7
83.01336	2.3
83.08600	2.0
83.86481	1.4
88.07646	6.0
91.05471	5.8
93.07018	4.8
95.04955	2.0
95.08602	5.5
97.06533	19.0
102.09172	6.3
105.07034	5.2
107.05025	1.6
107.08590	4.9
108.08937	1.3
109.02869	1.6
109.06519	1.4
109.10165	2.8
115.05460	1.4
117.07005	5.4
119.04945	1.4
119.08566	3.9
121.06493	1.5
121.10143	4.1
122.03638	1.8
123.08050	1.5
125.02324	1.5
128.06265	1.7
129.07065	1.3
131.08554	3.8
133.10144	4.2
135.07968	1.3
137.05975	61.8
138.06299	1.5
143.08571	9.6
145.06474	18.0
145.10100	4.1
147.04332	1.3
147.08058	1.9
147.11670	1.8
149.01241	2.5
149.02351	34.9
149.03436	1.8
151.03844	2.1
151.07515	5.8
157.10164	1.6
159.08029	3.4
159.11655	2.3
161.06024	1.2
161.09627	2.3
162.06769	12.2
163.07384	1.6
165.05533	2.0
165.09097	1.4
169.10109	1.3
171.08015	7.1
172.08487	1.8
175.07487	2.3
175.11194	1.6
177.09058	12.7
188.08340	12.7
189.09074	2.9
193.04958	35.4
193.12299	1.3
203.10666	29.9
204.11092	1.9
221.11725	100.0
222.12003	6.3
228.23204	16.2
240.64912	1.3
307.26682	1.2
345.13211	1.3
359.18481	1.7
371.01862	1.5
376.22083	3.6
377.19382	1.5
394.18494	1.8
394.26001	36.9
394.31216	3.0
395.20258	9.6
395.25180	2.8
412.18674	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	14.7
57.03445	4.9
57.06805	7.2
57.07074	100.0
57.19125	3.5
58.07394	8.1
59.12394	4.1
64.26686	3.8
67.05499	22.9
69.07065	25.4
70.55438	8.1
70.55809	8.4
71.08629	81.1
72.08973	6.4
79.05500	11.2
81.07053	37.6
82.07371	6.1
83.08624	14.7
85.06524	4.7
85.10177	39.9
89.06019	73.6
91.05486	6.6
93.07051	16.0
94.07365	5.9
95.08598	40.5
96.08923	10.2
97.06504	7.1
97.10189	7.0
98.98466	44.9
99.11742	6.6
105.07034	14.7
106.87374	4.7
107.08582	11.1
109.10119	24.2
110.10472	8.0
111.08069	4.2
113.13341	3.9
119.08575	17.6
121.10146	13.2
123.11758	8.7
131.08562	16.3
132.08911	4.1
133.08592	38.4
133.10126	8.2
135.11691	5.1
137.09624	3.9
137.13211	9.9
143.80685	4.2
145.10094	4.9
149.09625	22.6
149.10675	3.7
149.13286	6.4
150.09935	24.6
151.09688	5.4
155.01021	63.1
156.01395	10.3
159.11665	7.7
161.13268	5.2
163.14772	4.9
165.09091	10.2
166.09476	7.0
169.10211	4.6
173.13214	5.0
177.09100	26.7
177.11290	6.7
178.09404	24.9
187.14873	7.7
189.16457	8.3
190.16647	3.9
191.18004	4.1
194.34869	4.3
195.12291	60.4
201.16354	5.1
264.68713	4.3
358.24240	4.5
358.28275	17.7
376.29297	17.5
377.32700	31.6
386.28714	4.0
394.35266	17.7
395.33130	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0947
Annotation	Unknow
Peak:m/z	Relative Intensity
69.85249	0.7
70.33338	2.6
71.86129	0.7
79.05522	0.8
83.55923	0.7
105.03400	3.9
123.04447	1.1
151.47990	0.8
163.00035	1.2
166.07358	0.8
179.07097	1.8
199.02176	1.5
219.06285	22.3
220.06770	1.2
261.07361	2.0
316.08069	1.2
379.56265	0.8
394.25278	0.9
395.09454	100.0
395.25253	2.4
396.09805	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	395.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	8.8
67.05511	13.2
69.03403	11.0
70.34827	7.8
70.47926	20.2
70.48260	11.2
81.03447	12.1
81.07075	22.6
83.05002	7.9
85.02924	15.4
91.05470	18.8
93.07048	18.2
95.04967	17.4
95.08606	14.2
98.23248	9.9
105.07036	21.7
107.08595	29.7
109.02953	10.6
110.67090	7.4
111.08144	8.1
115.85278	7.9
117.07022	10.7
119.08624	24.2
120.02763	8.4
121.06538	14.5
121.10123	8.6
131.08556	8.9
133.02808	10.4
133.10150	7.9
137.06021	10.7
141.06967	8.6
145.10103	77.7
147.11685	9.7
153.01854	28.9
157.10159	9.8
159.11766	9.9
161.05972	8.5
161.81824	8.7
167.06985	16.1
169.06465	10.7
173.09680	10.4
173.13232	9.1
174.85085	9.9
177.45586	8.3
187.14824	82.4
191.14313	23.3
197.06015	10.1
215.14313	100.0
233.15410	74.6
234.30736	8.6
243.06577	22.5
251.09129	25.9
257.04581	9.1
322.25726	8.9
377.09686	9.2
391.35400	9.0
395.11066	57.5
395.16577	60.4
395.20139	13.9
395.24835	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	395.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.0
69.07057	0.7
69.68302	2.4
71.04986	0.5
81.78807	0.4
85.02888	0.6
91.05499	0.4
94.41287	0.4
97.92850	0.4
98.23293	0.8
109.02823	0.5
120.43761	0.5
123.04506	0.4
128.40761	0.5
162.02209	0.5
174.67039	0.5
178.10501	0.5
187.08609	0.6
188.09248	0.5
197.10667	0.6
198.07857	0.5
199.08597	3.0
200.09492	2.8
201.10249	1.9
210.08047	0.6
211.08649	3.3
211.12202	0.6
212.09433	2.1
213.06818	0.5
213.10223	7.1
214.10884	1.3
215.08437	0.8
215.11790	11.5
217.09727	2.4
223.12233	0.8
225.10187	6.0
226.10982	1.5
227.08171	1.7
227.11794	1.5
228.12538	0.6
229.09653	2.4
229.13220	0.5
231.11278	2.0
232.12213	0.6
235.86494	0.5
238.07397	0.5
239.08173	4.3
239.11752	4.4
240.08905	2.4
241.09711	4.7
241.13297	3.8
242.10477	5.1
243.07585	1.1
243.11270	9.8
245.09128	1.7
249.09961	1.0
251.11928	1.0
253.09708	6.1
254.10403	1.4
255.11188	1.1
256.12091	1.3
257.09195	6.3
257.12772	1.9
258.09875	0.7
259.10757	4.3
260.11169	0.9
261.08710	0.5
263.10275	3.3
267.07962	0.6
267.11270	2.9
268.08423	2.8
269.09750	0.8
269.12778	5.2
271.10760	28.9
272.11139	2.3
275.10233	4.1
285.08994	0.8
285.12283	6.7
286.09399	1.1
286.12646	0.9
287.13907	3.2
295.10712	2.5
297.12350	6.9
298.12524	0.9
300.11035	0.8
303.09723	1.6
303.13412	2.3
313.11795	8.3
314.12192	1.2
315.13351	6.0
321.10797	3.1
323.10269	3.6
331.12784	3.3
333.14383	1.3
341.11325	8.1
349.13925	2.0
359.12357	11.0
360.12796	1.0
377.13382	21.8
378.13736	1.8
395.14450	100.0
396.14786	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	395.2061
Annotation	CHEBI:67683
Peak:m/z	Relative Intensity
54.89299	2.4
55.01863	2.8
55.05508	12.6
64.47019	2.1
67.05504	18.9
69.03439	16.3
69.07069	10.0
69.14526	15.6
69.14930	4.9
71.04996	8.2
79.05479	10.8
81.07050	23.3
83.04967	13.4
83.08610	5.0
85.06535	3.2
91.05486	13.8
93.07046	16.9
95.04948	13.2
95.08598	19.9
97.06487	3.2
98.22602	4.6
99.04460	16.5
105.07027	18.3
107.04952	3.5
107.08598	20.2
109.06492	3.6
109.10156	12.3
111.08125	3.0
113.06049	3.3
113.20801	2.2
117.07037	7.0
119.08551	17.6
121.06493	5.8
121.10155	13.0
123.08081	4.1
123.11665	11.3
125.09631	2.6
131.08562	9.3
133.06473	4.3
133.10136	13.6
135.08005	4.1
135.11697	7.1
137.06001	3.6
137.09590	5.4
143.08629	3.2
145.06438	4.4
145.10092	7.3
147.08078	3.5
147.11705	8.3
149.05972	10.0
149.09621	11.0
151.03941	2.8
151.11179	55.7
153.05475	2.4
155.08646	2.6
157.10089	4.5
159.08087	5.1
159.11708	7.4
161.09576	3.1
161.13243	5.6
163.07506	2.9
163.11070	2.5
165.12744	7.0
171.11662	2.9
173.05992	9.4
173.09630	3.0
173.13315	6.6
175.07521	6.8
175.14772	3.3
179.07024	8.8
185.13206	3.3
187.07425	2.7
187.11235	2.3
187.14859	3.5
189.09142	2.8
191.07030	23.4
191.10706	3.7
193.08627	6.6
193.12238	4.1
201.09174	4.4
201.12755	4.0
203.07018	3.2
203.14351	3.7
205.08621	6.3
209.08080	57.6
210.08504	3.9
211.11176	3.3
217.08594	4.8
221.08061	27.3
222.08545	2.6
223.09627	3.1
229.08614	5.2
229.12234	7.6
231.10251	3.0
233.07985	2.6
234.43271	2.7
243.13852	3.8
247.13351	5.2
255.10126	3.3
261.14850	7.8
271.13327	19.8
279.23206	3.1
281.15189	2.6
289.14349	4.6
299.16437	10.1
307.15463	3.0
323.16412	11.6
331.19052	11.1
341.17441	54.1
341.21283	4.6
342.17859	2.5
359.18524	100.0
360.18896	5.5
377.19763	12.6
395.24319	18.1
395.32394	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	395.2063
Annotation	isoadenolin C
Peak:m/z	Relative Intensity
50.73988	4.1
55.01861	8.5
55.05501	16.1
57.07076	13.2
67.05506	39.7
69.03428	7.5
69.07062	14.5
69.42970	32.8
71.04994	68.7
71.08620	11.5
79.05489	31.9
81.07056	58.1
83.01344	9.5
83.08628	11.1
85.06546	6.0
89.06040	15.6
91.05477	34.9
93.07041	31.8
95.04974	13.7
95.08591	47.9
97.10197	5.4
98.22626	5.8
99.08089	16.3
99.32367	4.9
105.07021	31.7
107.08612	31.7
109.06521	19.6
109.10156	36.1
111.04451	6.1
113.06035	13.4
113.09613	8.1
114.84661	4.9
117.07032	5.5
119.08556	37.6
121.06512	21.7
121.10167	15.8
123.04404	14.7
123.08099	8.0
123.11723	6.9
129.06992	8.3
131.08580	17.3
133.06493	24.6
133.10126	37.3
135.08041	25.8
135.11725	9.1
137.09618	8.8
139.03958	5.1
141.05437	5.5
143.08595	9.5
145.06494	7.9
145.10126	12.7
147.08078	19.7
147.11668	6.0
149.09622	7.7
151.07529	9.9
151.11208	31.6
155.08513	9.5
156.04216	5.5
156.09218	5.2
157.05032	7.9
157.06488	13.8
159.08093	19.8
159.11644	4.9
161.05951	25.0
161.13138	5.9
163.07558	11.8
163.11208	6.3
165.05521	9.7
165.06818	5.6
167.07022	51.5
169.04951	25.5
171.08101	12.6
171.11571	6.5
173.05992	7.7
173.09573	7.1
173.13268	10.7
175.07521	21.2
177.09111	8.8
179.07074	19.8
181.08664	7.2
181.10156	10.2
183.06546	20.8
183.08035	8.4
183.11711	13.6
185.06068	12.1
185.09630	9.0
189.05519	15.8
191.07039	53.7
195.07980	8.6
195.12233	13.9
197.08121	18.4
197.13190	6.3
199.11189	9.0
201.09096	11.3
201.12703	25.5
202.06310	8.3
203.06950	32.1
203.14253	6.2
207.06526	24.9
207.11711	5.7
209.08075	14.2
209.09738	8.5
212.08252	6.6
212.11589	5.5
213.09189	10.4
217.12083	6.0
219.10136	11.7
219.13783	13.1
221.08096	10.1
225.07553	20.9
225.12802	9.9
227.06897	5.0
227.08987	77.8
229.12158	26.1
231.10225	5.6
237.09302	7.2
240.07809	8.1
243.10150	6.0
243.13817	12.0
245.11769	7.3
247.13284	48.3
253.12326	14.2
255.10170	58.8
261.11276	14.8
261.14865	12.0
265.14441	8.6
271.13281	48.8
273.11227	73.9
274.11505	5.9
277.15808	6.4
279.12387	10.7
281.15399	7.2
289.14304	100.0
290.14789	8.9
291.12253	8.2
295.16891	16.5
307.15433	39.0
313.14578	8.6
313.17941	33.5
315.19702	8.4
323.16302	27.1
324.16556	4.5
331.19113	7.9
341.17438	74.9
342.17786	8.3
359.18509	70.9
377.19574	24.9
377.30487	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	395.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	15.1
57.07092	14.0
67.05506	31.6
69.03427	13.8
69.07066	16.6
69.58970	67.2
69.59332	22.7
71.05005	72.2
79.05484	30.2
81.07052	61.9
91.05473	27.5
93.07056	26.4
95.08588	68.2
98.23314	16.6
105.07037	54.2
107.08598	25.1
109.06501	14.1
109.10166	28.6
113.09633	16.8
117.06997	11.6
119.08595	25.7
121.06502	33.8
121.10154	21.6
123.04430	18.9
123.08073	20.3
131.08572	25.9
133.06482	33.4
133.10098	43.0
135.08022	23.7
135.11678	18.5
138.48875	13.2
145.06509	14.6
145.10088	14.2
146.15108	12.5
147.08083	21.2
151.11174	35.3
159.11691	12.1
161.05995	40.7
167.07054	51.4
171.08070	21.8
175.07553	37.2
181.10115	13.4
183.06551	28.0
187.07724	13.7
189.05402	14.2
191.07034	57.5
197.08081	18.4
201.12729	21.6
203.07040	39.4
207.06526	32.9
209.08035	18.9
209.09732	17.7
211.11157	14.3
219.10304	17.1
225.07634	46.1
227.09067	77.3
229.12253	25.8
243.13840	16.5
247.13300	59.6
253.12131	13.6
255.10181	55.8
261.10989	14.9
271.13327	55.0
273.11087	92.3
279.12500	12.3
289.14340	100.0
295.16971	25.5
302.31137	12.9
302.77228	13.5
307.15463	50.1
313.14474	23.5
313.17993	46.3
323.16510	33.0
341.17365	60.2
359.18661	69.9
377.19513	17.5
409.96448	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	395.3307
Annotation	14-Dehydroergosterol
Peak:m/z	Relative Intensity
55.05507	15.1
57.01810	2.4
57.07079	13.8
67.05495	10.2
69.07066	100.0
69.71194	9.1
71.08638	2.9
79.05483	7.0
81.07054	25.5
83.08617	20.2
91.05486	6.5
91.91724	2.5
93.07038	7.2
95.08601	14.8
97.10224	2.6
98.22610	2.4
105.07028	8.8
107.08583	10.4
109.10161	12.6
119.08557	6.4
121.10155	6.2
123.11683	3.7
125.13271	9.9
129.07039	2.4
131.08549	4.4
133.10109	3.7
135.11676	5.7
143.08580	5.9
145.10133	8.7
147.11603	3.8
149.13220	3.8
157.10168	11.2
159.11700	7.4
169.10126	3.7
171.11650	6.8
181.10078	3.5
183.11736	7.0
183.75937	2.5
185.13210	5.9
187.14806	4.1
195.11679	5.1
197.13176	4.7
199.14813	9.5
209.13185	3.6
211.14781	6.2
213.16310	3.6
223.14795	3.4
251.17941	5.9
253.19548	7.9
265.19427	2.5
269.18851	2.7
269.82739	2.7
271.20612	4.5
280.65555	3.1
293.22525	8.9
307.24243	4.3
311.23718	5.1
365.18497	2.5
365.23700	2.6
377.31747	11.7
395.32748	29.7
395.37500	4.4
396.33398	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49774	1.6
53.03940	2.5
55.01870	1.7
55.05509	21.6
57.07088	10.5
60.19236	1.7
63.09645	1.8
63.53622	1.5
65.03933	2.2
67.05502	34.2
69.07065	30.0
69.85965	6.9
71.04985	4.9
71.08626	2.8
77.03903	2.3
79.05495	29.9
81.07052	77.1
83.08608	13.1
85.06530	12.6
91.05482	44.2
93.07044	60.8
94.07345	1.8
95.04965	5.7
95.08604	100.0
96.08922	2.9
97.06522	3.1
97.10175	7.2
99.04430	1.6
103.05469	2.4
105.07025	68.9
106.07387	2.3
107.08591	71.0
109.06516	3.5
109.10152	46.4
111.08074	1.8
111.11774	1.9
115.05445	2.4
117.07014	11.6
119.06104	1.6
119.08575	63.2
121.06493	2.0
121.10141	58.0
123.08053	3.4
123.11697	21.7
125.09566	1.5
128.06227	3.4
129.06992	7.2
131.08548	30.1
132.08876	2.9
133.10118	47.4
135.11678	56.1
136.12067	3.1
137.09621	4.0
137.13234	24.4
141.07005	2.1
142.07822	3.0
143.08548	15.2
143.15495	1.5
144.09309	1.6
145.10117	39.5
146.10411	1.6
147.08055	2.5
147.11685	45.0
148.12021	2.2
149.09598	6.9
149.13254	34.0
151.14835	3.3
155.08504	4.1
157.10118	16.0
158.10704	1.8
159.11682	49.6
160.12027	1.6
161.09596	3.2
161.13251	41.1
163.11214	3.9
163.14818	13.0
165.12723	3.7
165.16209	1.6
169.10187	6.1
171.11681	10.8
173.09586	1.7
173.13228	22.5
175.11188	4.3
175.14783	15.6
177.12737	16.0
177.16373	14.2
179.14323	2.3
183.11732	7.1
185.13249	22.2
187.11267	1.8
187.13196	2.8
187.14815	33.5
188.15086	2.2
189.12749	6.1
189.16393	19.5
191.14285	6.6
191.17929	39.0
192.18213	3.0
195.11702	2.0
197.13240	6.8
199.14796	9.6
201.12686	2.4
201.16365	15.5
203.14304	18.9
203.17953	16.7
205.15874	12.4
205.19502	16.2
207.17456	3.9
209.13306	1.9
211.14790	3.9
213.16411	6.6
215.14301	6.8
215.17982	5.8
217.12164	2.6
217.15919	3.5
217.19493	15.0
225.16364	4.9
227.17970	7.3
229.15808	2.7
229.19516	4.4
231.17488	2.0
239.17868	5.4
241.19543	7.6
243.17482	4.7
245.18999	1.7
253.19504	3.9
255.21185	4.1
257.19006	5.3
259.20554	2.0
267.21078	4.0
269.19034	1.9
271.20905	2.1
271.24088	4.2
293.22699	2.1
307.24127	1.7
321.25555	1.8
325.25018	2.3
349.28857	5.0
377.32126	13.5
395.24506	3.2
395.29135	13.5
395.33514	44.0
396.29459	3.0
396.34097	22.5
416.69116	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.3305
Annotation	24(28)-Dehydroergosterol
Peak:m/z	Relative Intensity
52.58270	3.4
55.05498	15.6
57.07066	12.3
67.05493	25.6
69.07058	30.3
71.05000	4.1
71.08639	4.4
71.34320	6.2
79.05500	18.5
81.07050	50.9
83.08605	10.1
91.05474	17.9
93.07034	39.5
93.98708	3.7
95.08591	56.3
97.06520	6.3
97.10158	10.2
105.07024	42.3
107.08582	46.7
109.10159	33.1
117.07012	12.5
119.08566	38.4
121.10130	30.4
123.08068	5.9
123.11674	12.6
128.06190	4.3
129.07002	12.0
131.08585	20.6
133.10083	21.4
135.11659	22.2
137.13187	5.9
142.07777	4.1
143.08548	12.6
145.10117	33.5
147.11667	26.8
149.13269	18.7
155.08499	4.1
157.10130	20.5
159.11707	24.4
161.13240	12.9
163.11026	4.2
163.14774	12.5
165.12712	10.1
169.10155	8.1
171.11678	15.0
173.13225	29.4
175.14839	19.9
177.16414	6.5
183.11565	7.5
185.13243	11.2
187.14813	14.5
189.16383	11.7
191.14191	5.1
191.18016	5.4
197.13260	6.7
199.14845	9.8
201.16394	10.9
203.17897	12.7
205.15820	15.0
213.16440	8.9
215.17932	23.8
216.18256	4.1
217.19476	10.6
219.17455	4.0
225.16336	5.5
227.17868	16.5
229.19444	12.1
239.18123	7.5
241.19518	26.2
242.19943	3.9
243.21019	16.7
253.19476	9.9
255.21071	12.0
267.20953	4.2
277.42142	4.0
377.32126	32.2
378.32541	5.4
395.29083	10.5
395.33167	100.0
396.33209	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	395.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.3
55.05254	1.9
55.05511	23.4
57.07076	27.6
58.05391	1.5
64.15657	1.4
64.90918	1.3
65.03960	2.4
66.59893	1.5
67.05503	50.8
67.05862	2.8
67.19595	1.7
69.07066	50.8
69.36148	9.4
70.07407	1.9
71.08633	20.8
79.05493	23.1
81.07056	100.0
82.07398	3.4
83.08615	28.4
83.40731	1.4
85.10178	13.5
86.41654	1.6
91.05478	28.8
92.74104	1.6
93.07045	32.9
95.08604	58.0
97.06508	3.4
97.10167	21.8
98.22623	1.9
105.07024	39.1
106.07353	2.4
107.08585	29.9
108.09000	2.0
109.10155	31.8
111.08109	3.6
111.11726	11.3
112.36794	1.5
115.05470	2.2
117.07007	19.4
119.08566	19.0
121.10143	20.7
123.11710	20.2
125.13268	4.9
129.06996	4.2
130.07770	3.9
131.08559	22.6
132.09027	2.1
133.10126	38.6
133.11150	2.1
134.10556	2.5
135.11671	19.5
137.13274	8.6
139.11180	2.6
143.07596	1.6
143.08559	9.3
144.09343	2.4
144.53777	1.7
145.10123	65.9
146.10461	2.6
147.11678	29.0
149.13281	13.5
151.14906	2.6
157.10101	11.9
159.11688	50.0
160.12033	2.3
161.13277	11.8
163.14824	6.1
167.14424	1.6
169.10072	1.7
171.11713	4.4
173.13252	17.8
175.14816	4.1
177.16434	4.0
180.97264	1.6
185.13287	5.9
187.14807	9.3
191.17929	2.4
199.14813	8.3
201.16495	4.6
213.16336	8.9
215.17960	4.8
217.19388	1.9
219.21095	13.5
227.17941	3.6
227.70380	1.7
229.19576	2.0
237.22072	9.5
241.19540	5.4
247.24246	2.1
255.21077	5.9
261.25940	1.6
275.27258	3.2
283.24353	2.3
287.27322	2.0
301.28595	2.1
315.30194	1.5
333.88586	1.4
395.29025	2.9
395.36740	94.2
396.37183	12.5
403.39465	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.0382
Annotation	Unknow
Peak:m/z	Relative Intensity
68.31894	0.2
70.02934	0.2
71.05004	0.2
71.37892	0.3
93.19073	0.2
111.04402	0.2
137.02307	0.4
139.03905	0.2
151.03903	0.2
164.03407	0.2
166.05011	3.2
166.95613	0.1
167.81026	0.2
184.63570	0.2
199.06230	0.7
200.04726	1.7
200.06589	0.2
203.05717	0.7
213.05504	0.2
216.06496	0.6
217.07170	0.3
227.05765	1.7
228.04140	3.3
228.06514	5.4
229.04578	0.5
229.06754	0.4
230.08067	0.8
231.05061	0.2
231.08948	0.5
232.06065	0.3
233.72513	0.2
242.08150	1.0
243.05190	0.3
243.08531	0.2
244.06026	6.3
245.06805	1.3
255.05351	0.5
256.03577	1.2
256.06021	2.0
257.03995	0.2
258.07562	1.3
259.08359	1.3
260.09116	0.6
270.07654	0.3
272.05539	2.7
273.06290	7.2
274.06586	0.5
284.05615	0.8
286.07043	1.2
287.07767	1.0
288.08673	0.8
298.06894	0.2
300.02350	0.2
300.04987	11.2
301.05765	23.5
302.06290	1.4
314.06665	0.3
315.03683	0.3
315.07327	6.5
316.08121	100.0
317.08502	8.1
396.03809	18.4
397.04074	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.0384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33997	0.2
66.49510	0.2
68.72192	0.2
70.06573	0.4
71.32642	0.3
71.33007	0.3
83.46649	0.2
103.05443	0.2
103.74614	0.2
107.04951	0.2
116.91466	0.2
136.30278	0.3
137.02385	0.5
137.05974	0.7
145.10718	0.3
147.91562	0.2
151.03902	0.3
166.04984	2.6
167.05298	0.3
167.07028	0.5
199.06300	0.6
200.04700	1.6
203.05748	1.0
214.30496	0.2
216.06624	0.7
217.07346	0.4
227.05756	1.7
228.04147	3.4
228.06534	5.8
229.06921	0.4
230.08141	0.9
232.06181	0.3
237.18143	0.2
242.08109	1.2
244.06024	5.6
245.06738	0.9
250.11412	0.3
255.05330	0.4
256.03632	1.5
256.06055	1.9
258.07596	1.3
259.08408	1.4
260.09134	0.9
270.07602	0.3
272.05438	2.3
273.03516	0.5
273.06293	7.0
273.10883	0.4
274.06702	0.3
284.05450	0.8
286.06979	1.2
287.07870	0.9
288.08649	0.7
298.07104	0.3
300.05002	10.8
301.05774	22.8
302.06323	1.5
315.07330	5.1
316.08127	100.0
317.08636	7.1
396.03793	19.4
397.04053	1.4
397.08487	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09796	6.7
119.04969	8.2
137.05986	31.8
144.23738	7.1
146.53984	6.8
161.05931	12.5
163.07565	7.5
168.76039	7.4
199.09750	7.0
267.83624	6.2
272.05612	7.4
273.06424	9.5
273.11292	19.3
300.04990	14.0
301.05792	27.0
316.08093	100.0
317.06375	9.1
396.03833	10.7
397.17441	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	397.0224
Annotation	6-Methoxykaempferol 3-O-sulfate
Peak:m/z	Relative Intensity
60.61555	0.2
65.03906	0.3
70.06870	1.1
70.31302	0.2
91.64015	0.3
92.02598	0.9
102.84432	0.3
103.05401	0.3
109.02780	0.3
110.03649	1.3
121.02850	0.7
136.01668	0.3
137.02350	2.5
137.05969	1.3
140.04697	0.7
147.04379	0.3
149.02469	0.4
150.03105	0.4
153.01833	1.7
163.03981	0.3
167.03418	2.1
170.33334	0.3
185.05972	0.3
193.01358	0.6
200.04643	1.1
203.03430	0.3
204.04218	0.9
205.04947	0.3
206.05739	0.5
213.05603	0.4
214.06168	0.6
216.82861	0.3
217.04959	0.8
218.05508	0.5
228.04173	4.4
229.04883	1.8
231.06477	0.5
241.04890	0.4
242.05556	0.7
243.06459	0.7
245.04405	3.0
246.05151	0.5
247.09744	0.7
256.03635	0.8
257.04449	1.2
259.06000	0.7
260.06821	0.5
271.06070	0.5
273.03757	1.3
274.04712	5.1
277.10773	0.7
285.03925	1.1
287.05457	0.8
288.06284	0.9
289.07098	0.7
291.92212	0.3
301.03430	14.9
302.04184	35.8
303.04626	2.7
316.05737	5.8
317.06540	100.0
318.06894	7.4
321.53568	0.3
367.81824	0.3
397.02225	16.6
397.15692	0.6
398.02484	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.0221
Annotation	6-Methoxykaempferol 3-O-sulfate
Peak:m/z	Relative Intensity
55.05478	0.4
66.01065	0.4
67.05500	0.6
68.99762	0.5
69.78492	1.2
71.04968	0.4
77.35228	0.5
79.05460	0.5
81.07030	0.9
91.05477	0.5
93.07008	0.7
95.04995	0.4
95.08574	0.8
97.02842	0.4
105.07011	1.1
107.08589	0.4
109.06517	0.4
109.10136	0.5
110.03651	2.0
119.08537	0.7
121.02826	0.5
121.06475	0.4
121.10153	0.8
124.01457	0.4
131.04950	0.5
131.08563	0.5
133.02798	0.6
133.40973	0.4
133.50699	0.4
135.04369	0.4
135.11661	0.4
137.02359	2.6
137.05965	1.2
145.10094	0.5
147.11681	0.6
153.01828	2.8
159.11516	0.5
161.05934	0.7
161.49513	0.3
182.79066	0.3
189.05362	0.6
193.01369	0.7
200.04628	1.7
204.04112	0.7
217.04961	3.9
217.15964	0.3
218.05548	0.5
228.04131	5.2
229.04921	2.8
243.06279	0.4
245.04430	6.2
246.05070	1.0
249.09143	0.6
256.03607	0.8
257.04419	2.1
273.03891	5.8
274.04688	6.8
277.08505	0.5
285.03812	2.0
301.03400	27.8
302.04172	69.7
303.04510	4.3
316.05728	3.9
317.06528	100.0
318.06833	7.3
337.10989	0.9
396.39529	0.5
397.02209	20.2
397.16925	2.4
397.25812	0.8
398.02484	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
55.05511	2.9
67.05505	4.9
69.03429	2.7
69.07072	3.3
69.20040	0.8
69.33784	6.2
71.04984	1.2
79.05499	2.9
81.03425	2.1
81.07058	7.4
83.04971	1.8
83.08633	0.8
85.06564	1.3
86.06049	1.7
91.05491	3.6
93.07058	5.1
95.04970	1.9
95.08633	5.2
97.06563	1.0
97.10201	1.7
99.04484	2.1
103.05479	1.0
105.07032	7.9
107.08623	5.9
109.06530	1.7
109.10173	3.1
111.04456	1.2
111.08074	1.4
116.55835	0.9
117.07032	1.1
119.08602	5.4
121.06503	1.1
121.10156	2.8
123.11729	1.3
125.06052	1.0
125.09597	1.2
125.59125	0.8
127.03933	1.5
129.07051	1.2
131.08572	2.7
133.06461	5.4
133.10141	5.3
135.08049	1.5
135.11708	3.0
137.05969	5.2
137.09586	1.3
139.07516	1.2
143.07071	0.8
143.08501	1.2
145.10130	2.6
147.11694	4.1
149.09656	1.4
150.06770	1.9
151.03973	1.5
151.07597	1.3
157.10141	1.5
159.11737	2.7
161.09656	1.5
161.13214	1.3
163.11189	1.1
165.09117	15.0
171.11656	1.2
173.09587	1.1
173.13252	1.3
175.07672	0.8
175.11195	1.1
177.12790	1.0
185.13396	0.8
186.06544	3.1
187.14851	0.9
189.16438	1.5
191.10762	0.8
201.16345	0.9
207.10168	8.2
217.12244	1.0
217.15907	1.6
229.08365	100.0
230.08693	5.5
247.09656	2.3
270.11191	1.3
316.74106	0.8
363.19043	1.0
397.08560	1.2
397.22214	4.5
397.26886	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	0.4
69.03422	1.5
69.07050	0.6
69.87256	0.8
69.87657	1.5
71.04998	0.5
73.02928	0.5
79.45030	0.4
81.03419	0.6
83.04922	0.5
85.02905	1.9
91.05483	0.7
95.04911	0.5
97.02877	1.5
103.05437	0.6
105.07047	0.7
106.25127	0.4
107.04942	1.3
110.74205	0.4
111.04462	0.6
115.03904	1.2
123.04426	1.1
127.03940	1.4
131.04958	0.8
133.04973	1.2
133.06503	0.6
135.07983	0.4
137.02299	0.5
137.05971	0.8
145.04941	0.8
161.05940	2.8
161.09615	0.8
163.07620	0.6
167.07047	0.5
179.07051	0.5
185.04269	2.2
189.05226	8.4
189.09167	1.6
205.08549	0.4
207.10234	1.4
219.06372	0.7
234.08635	6.7
235.09416	9.5
236.09537	0.5
244.07362	0.9
250.53377	0.5
285.09372	0.9
317.06488	2.5
321.09442	0.5
337.13217	0.5
366.12897	0.9
397.14731	100.0
398.15021	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	397.1468
Annotation	KADETHRIN
Peak:m/z	Relative Intensity
52.03145	0.3
55.01867	0.4
57.24527	0.3
69.03418	0.8
71.30619	0.3
71.31069	0.5
77.68018	0.3
81.07069	0.4
85.02888	0.9
85.50684	0.3
93.07033	0.6
97.02890	0.4
105.07011	0.5
107.08572	0.4
109.02814	0.5
109.20876	0.3
111.04427	0.5
115.05450	0.3
121.06522	0.3
123.04395	0.3
137.06013	0.9
151.03993	0.4
153.01765	0.4
157.89601	0.3
161.06035	0.3
163.07579	0.3
177.05415	0.6
202.62749	0.3
203.07060	0.4
205.37585	0.3
207.06491	0.4
213.39586	0.4
231.06467	0.4
235.05916	0.5
235.09573	0.6
243.98521	0.3
249.07597	1.1
262.70340	0.4
397.14676	100.0
398.15015	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	397.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
54.15676	0.7
55.01863	1.0
55.05502	2.4
57.03423	2.0
57.07069	0.9
61.02941	0.7
67.05511	3.3
69.03416	2.7
69.07070	2.9
71.04993	2.1
79.05495	3.5
81.03413	2.7
81.03854	0.7
81.07055	7.7
82.03419	0.6
83.04973	2.4
83.08607	1.0
85.02911	3.0
85.06519	0.7
85.90057	0.6
91.05478	3.5
93.07047	6.6
95.04974	3.8
95.08594	5.4
97.02901	1.4
97.06535	1.7
97.89912	0.5
99.04436	1.4
103.03930	1.3
105.07020	6.6
107.01324	0.9
107.08597	9.1
109.02880	2.2
109.06516	2.2
109.10164	5.5
109.90537	0.6
111.08087	3.5
113.05988	0.8
117.07010	1.3
119.08597	6.7
121.06482	2.2
121.10121	4.2
123.08052	1.9
123.11688	1.6
125.06024	0.8
125.09613	2.4
127.03892	0.8
131.08578	3.1
133.10141	4.8
135.08020	1.6
135.11694	4.3
137.05957	1.4
137.09579	1.2
139.07536	0.8
143.08569	1.5
145.10136	3.9
147.08087	1.3
147.11684	7.4
149.09615	1.0
149.13271	2.1
151.03889	1.4
151.07506	0.7
153.12764	1.5
155.08504	0.7
157.10156	1.6
157.47720	0.6
159.11676	2.7
161.09634	1.7
161.13249	1.9
163.11179	1.1
165.12680	1.2
171.11717	1.6
173.13272	1.6
175.07544	0.8
175.11182	2.1
175.14853	1.5
179.03400	0.8
179.06909	0.6
181.04883	0.9
181.10065	0.7
185.13228	0.8
187.14838	0.9
189.09036	0.9
189.12813	1.3
189.16328	2.9
191.06981	0.6
191.10612	1.1
191.14297	1.4
193.04918	0.7
193.08621	0.7
193.12238	1.5
199.11255	0.8
199.14795	1.2
203.10669	1.2
204.07802	0.6
205.08464	1.1
205.15787	0.6
207.13751	0.7
207.17484	1.3
216.07886	1.1
217.12259	1.7
217.15868	1.8
219.06493	1.2
219.10136	1.4
219.17406	0.7
228.78615	0.7
229.08641	1.6
230.09280	1.0
231.06477	2.1
231.10161	10.8
232.07306	6.6
233.07962	3.4
234.08870	7.5
235.09642	7.2
235.13274	1.2
235.16933	2.1
243.06531	2.3
243.10165	0.7
244.07297	4.9
244.11134	0.7
245.07986	1.4
245.11749	7.7
247.09654	100.0
248.10228	10.7
254.09473	1.1
257.08185	1.9
257.11789	0.9
258.08749	3.3
258.21045	0.6
259.09656	13.0
259.13223	2.3
260.10089	1.4
261.11169	2.4
262.08289	1.2
269.11703	2.8
270.08908	0.9
271.09631	5.0
272.10422	4.6
273.07635	3.9
273.11188	15.0
274.11670	0.8
275.09201	1.2
277.10709	73.9
278.10989	4.1
285.11218	1.8
287.12759	10.2
288.13226	0.9
289.10776	1.0
297.11185	3.8
299.09171	0.9
301.10696	35.0
302.11044	2.4
313.10669	12.4
314.11044	0.8
315.12283	3.0
325.10693	11.0
326.10977	0.9
327.08646	1.1
331.11740	18.1
332.12158	2.1
343.11743	18.0
344.12045	1.2
361.12775	17.0
362.13281	1.5
379.13757	11.4
379.30099	0.9
397.13895	4.5
397.18365	2.9
397.22797	1.4
397.30975	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	397.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.0
57.03421	1.3
61.02877	0.5
63.56116	0.6
63.89117	0.6
66.75050	0.5
67.05500	1.2
69.07067	0.5
71.32133	0.5
79.05483	1.3
81.03410	1.1
81.07047	1.9
85.02882	2.1
91.05477	1.1
93.07031	1.5
95.04941	1.1
97.02917	0.6
103.03923	1.0
105.07021	1.1
107.08579	1.9
109.06516	1.2
109.10159	1.0
113.79497	0.6
119.08597	0.9
121.10130	1.3
125.09653	0.8
127.07572	1.1
131.08574	1.2
137.05963	2.0
140.22287	0.6
145.18555	0.6
147.11690	1.3
149.02309	0.7
149.05997	0.8
159.07968	0.6
161.05974	1.1
161.09607	0.9
164.40215	0.6
165.01825	1.7
167.03439	0.7
189.16484	0.7
201.05437	0.7
202.06247	1.4
203.10629	0.8
205.04944	0.6
206.05687	0.8
215.06909	1.4
216.07779	1.7
217.04948	4.9
217.08282	0.7
218.05704	11.7
219.06572	4.5
220.07291	1.1
229.04965	2.2
230.05693	2.6
231.06526	1.3
231.10100	7.6
232.07355	0.7
234.08878	1.7
235.09602	6.0
235.16989	1.3
239.07108	1.0
243.06487	4.7
244.07326	5.7
245.07841	0.8
245.11726	5.0
247.06071	2.9
247.09644	100.0
248.06953	4.8
248.10126	9.4
255.06284	0.8
256.07391	0.7
257.08066	1.6
258.08823	2.7
259.09641	8.7
259.13324	0.8
261.07379	0.7
261.11215	1.7
262.08459	0.7
267.06476	0.8
268.07422	0.9
269.11823	1.9
271.05902	0.8
271.09680	1.9
272.10382	1.0
273.07843	1.5
273.11176	15.9
274.08484	0.6
274.11545	1.9
275.09180	1.1
277.10696	70.1
278.11041	5.1
283.05948	1.4
284.06882	1.3
285.11060	2.3
287.05615	0.7
287.09647	1.1
287.12750	12.5
288.13043	0.8
295.06226	1.3
297.11099	3.3
301.10690	35.9
302.11017	2.9
313.07040	1.9
313.10645	11.9
314.10983	1.1
315.12180	2.4
317.06525	1.0
325.10678	10.8
326.10864	1.2
331.11752	18.7
332.12027	1.1
343.11743	18.9
344.12131	1.5
351.12289	0.7
361.12772	15.9
362.13049	1.0
379.13892	8.1
397.15347	3.4
400.13330	0.7
409.35153	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33514	1.2
57.03425	1.6
57.07067	2.5
69.88209	5.5
79.01867	2.0
79.05478	2.6
81.03403	1.3
81.07059	1.7
83.04978	1.2
85.02865	2.0
91.05466	9.3
94.04185	2.4
95.04907	1.4
99.13792	1.2
103.05458	3.2
105.07034	2.4
107.04961	2.6
109.06499	2.4
115.05449	2.4
116.06207	1.3
119.04964	6.8
121.06516	1.5
122.03647	4.3
125.06022	1.4
128.06244	2.5
129.07027	6.6
131.04912	3.1
131.08559	5.0
133.06468	1.5
137.05969	81.5
138.06311	1.8
141.06972	3.1
142.07782	2.2
144.05661	2.3
145.06454	2.3
146.03693	1.8
147.04401	3.0
147.07942	1.4
149.05995	4.3
149.79773	1.1
151.03905	1.7
151.07535	10.6
153.07036	2.0
154.07771	1.6
155.04893	1.2
155.08572	5.8
157.06462	3.7
158.07272	3.0
159.08047	8.6
161.05968	13.3
161.09639	3.4
163.07480	2.4
165.01834	1.6
165.05559	1.3
165.06967	5.8
167.08537	2.4
169.06436	2.6
170.07222	2.3
171.04320	1.2
171.08078	3.1
172.08818	3.4
173.05963	1.4
173.09570	1.8
175.07568	5.2
177.05457	1.3
181.06491	2.4
182.07268	6.4
183.07930	2.1
184.05139	2.1
184.08788	3.0
185.05998	2.3
185.09673	8.7
186.06721	2.3
187.07501	5.9
187.11150	2.3
188.08209	1.2
189.09059	2.1
191.06989	6.9
191.08511	1.3
192.04149	1.2
194.07327	3.1
195.08073	2.4
197.09573	8.9
198.06741	13.1
199.07529	8.0
200.08243	2.5
201.09157	1.7
201.77495	1.3
202.07896	2.2
203.08687	1.8
203.10600	1.2
205.04889	1.9
205.08617	2.7
205.80232	1.1
206.05649	1.9
207.10175	2.1
210.06834	2.1
211.07550	3.6
212.08337	3.2
213.05627	1.2
213.09091	19.1
215.10655	7.9
217.04858	7.0
217.08376	2.2
217.10246	1.8
218.05621	7.1
219.06464	13.0
219.07973	1.1
220.07280	22.9
221.07739	1.9
223.09615	2.6
225.09087	13.1
229.08389	2.4
229.10374	1.5
230.05640	1.6
231.06296	1.8
231.08214	2.4
231.10144	2.5
232.07237	3.6
235.09630	4.2
237.09177	1.2
241.05019	1.8
243.02846	2.2
243.08046	1.4
243.10135	16.3
244.10886	1.4
245.09657	1.9
245.11826	1.8
247.05887	6.2
247.09637	82.7
248.06764	11.9
248.10321	16.0
255.10103	6.4
257.07904	2.5
258.09024	3.6
259.05804	2.8
259.09616	12.4
261.09036	1.8
261.11276	16.6
263.07059	1.9
263.10846	1.6
264.07800	2.1
265.08548	3.0
271.07663	1.3
272.06589	1.7
272.10638	1.5
273.11240	57.4
274.11581	3.5
275.08801	2.2
276.07712	2.4
277.10706	100.0
278.10995	5.0
285.08920	1.8
287.09937	1.8
287.12848	16.7
288.07507	2.0
289.08118	1.9
289.10916	3.6
290.09256	2.5
291.10117	4.9
292.07388	1.7
292.10635	1.9
293.08014	2.9
293.11728	3.2
301.10724	24.6
303.10168	3.1
305.07932	1.6
305.11615	2.7
306.08725	2.1
307.09567	6.1
307.12344	3.5
308.10361	4.4
309.10941	2.6
313.10666	1.9
315.12332	7.2
317.11737	3.6
318.12097	1.7
319.09366	2.5
319.12769	1.8
320.10419	2.5
321.11160	6.0
323.12769	2.1
325.10651	3.3
331.11807	20.5
332.12198	2.1
333.11121	3.2
334.11975	3.0
335.12878	6.5
336.13513	3.0
337.14243	2.4
339.12314	2.8
343.11728	14.2
344.12128	1.6
349.14343	5.3
351.12213	10.0
352.12973	1.3
353.13626	3.9
354.14532	16.3
361.12756	35.4
362.13147	4.6
367.15259	3.3
379.13858	46.4
380.14502	4.6
397.15570	93.3
398.15976	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	397.162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03985	0.9
61.37265	0.7
69.13821	6.9
78.84959	0.9
98.23343	1.5
98.44419	0.8
112.92184	0.8
136.78203	0.8
176.04483	2.0
201.05202	6.1
203.06757	1.5
216.07573	73.5
217.08228	8.9
234.08446	1.0
274.85388	0.8
303.12540	0.9
397.16205	100.0
398.16537	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	397.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59630	0.6
52.81661	0.6
53.03976	0.5
55.05492	1.0
63.08172	0.5
67.05471	1.9
69.03390	1.1
69.07041	1.5
70.43317	1.4
70.43665	0.8
71.04972	0.6
71.56457	0.5
79.05468	1.7
79.83460	0.5
81.07063	2.7
83.08592	0.6
85.06538	0.5
91.05468	1.0
93.07025	2.1
95.08595	3.2
98.22746	0.7
105.06996	2.2
107.08556	2.1
109.10136	1.9
119.08567	3.9
121.10136	1.3
123.11660	1.0
131.08591	0.6
133.10078	1.5
135.11665	1.5
137.09647	0.5
145.10123	0.9
147.11638	0.8
156.81841	0.6
159.11700	0.9
161.13271	1.0
163.14790	0.5
169.10118	0.6
171.11688	0.7
175.14854	0.6
187.07462	0.7
201.05194	7.9
203.06834	0.8
207.13676	0.6
213.08852	2.4
216.07567	100.0
217.08179	10.1
223.76816	0.6
234.08757	0.7
241.12132	0.7
241.41852	0.5
257.10211	1.1
349.14307	0.5
366.14444	0.6
373.05878	1.3
395.27078	0.7
397.16202	64.7
397.31042	1.3
398.16544	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	397.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.2
55.26738	0.6
56.57251	0.9
57.07069	1.3
57.44750	0.8
57.93390	0.7
67.05500	4.9
67.99017	0.7
69.03413	0.9
69.07066	3.3
69.18851	5.3
71.05013	0.8
79.05480	2.9
81.07050	7.7
83.04957	1.0
83.08625	1.4
91.05499	2.4
93.07048	4.4
95.08593	5.4
97.06500	1.2
97.10177	1.2
105.07037	2.0
107.08589	3.0
109.10153	3.1
113.44775	0.9
119.08580	3.8
121.10168	3.8
123.08122	0.9
123.11726	2.2
132.61353	0.7
133.10139	1.3
135.08018	0.9
135.11697	2.3
137.64633	0.7
143.08571	1.0
145.10139	0.8
147.11690	1.0
149.13269	1.2
153.44656	0.8
161.13329	1.0
173.13322	1.2
175.14839	1.6
187.07330	1.8
187.14900	0.9
189.05270	4.0
199.07358	3.6
201.05254	3.4
202.06013	36.4
203.06786	8.4
217.08344	1.7
222.35831	0.8
361.30930	2.4
365.13416	1.2
379.32172	2.0
397.16190	100.0
398.16614	9.4
398.21234	1.3
405.94235	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	3.1
67.05495	1.3
69.64111	3.6
77.03985	0.9
79.05494	2.0
81.03397	1.1
81.07043	2.0
85.71160	0.9
89.03918	1.5
91.05482	12.4
93.07040	1.2
94.04182	2.7
95.04967	1.8
95.11178	0.9
103.05457	2.5
104.41570	0.9
105.07044	2.8
107.04961	2.8
107.08592	1.1
109.06535	1.7
111.04434	1.4
114.09164	1.9
115.05450	1.7
115.64612	0.9
115.79726	0.8
117.07017	2.4
119.04935	6.7
119.08601	1.8
122.03647	7.4
123.59519	0.9
125.06001	1.4
128.06244	3.7
129.07007	9.3
130.07739	0.8
131.04907	3.1
131.08578	5.8
133.10095	1.3
135.04417	2.0
137.05972	100.0
138.06299	3.3
141.06960	5.2
142.07774	2.1
143.08586	3.0
144.05748	4.1
145.06506	3.0
146.03613	1.1
147.04401	3.9
147.08037	1.0
149.05980	5.3
150.75111	0.8
151.07544	11.4
152.06168	1.2
153.06964	3.7
154.07794	1.2
155.08568	5.6
157.06523	4.2
157.10161	1.5
158.07262	3.2
159.08049	7.5
161.05946	15.4
161.07274	0.9
161.09523	4.3
163.07565	2.4
165.05820	0.8
165.06973	4.7
167.07262	0.8
167.08600	3.0
168.05673	1.4
169.06479	3.9
169.07736	1.2
170.07217	2.8
171.04341	0.8
171.07996	4.9
172.05238	1.3
172.08820	5.2
173.09634	2.5
174.06787	2.1
175.07555	5.2
179.07002	1.0
181.06519	3.6
182.07277	7.6
183.04407	1.4
183.07985	4.4
184.05148	1.6
184.08864	3.8
185.05949	3.0
185.09618	10.1
186.06775	1.7
187.07500	7.1
187.11168	2.7
188.08342	1.3
189.09109	4.3
189.12808	1.5
191.07042	6.2
194.07259	3.4
195.08028	3.2
197.06006	2.4
197.09613	10.1
198.06743	19.2
199.07521	13.0
200.08281	3.6
201.09052	6.5
202.07816	1.7
205.06390	1.1
207.08197	1.0
209.09610	1.3
210.06670	4.2
211.07483	4.7
212.08250	4.4
213.09102	26.5
213.11075	1.8
214.09486	1.6
215.06883	1.1
215.10611	6.8
216.09401	1.3
217.08577	2.3
218.07230	0.9
219.08078	1.1
223.07497	1.0
224.08383	1.6
225.09059	14.7
226.09605	1.6
228.07671	1.4
229.08545	2.4
229.10435	1.2
230.07376	1.0
231.08107	2.8
231.10147	2.0
232.08826	1.5
233.09586	1.3
237.09064	1.2
242.09262	1.5
243.08049	1.5
243.10156	22.7
245.09555	4.0
245.11792	2.7
246.06839	0.9
246.10233	2.0
247.07526	2.5
247.11168	1.0
248.08316	1.9
249.09084	2.0
255.10173	5.5
257.09698	3.6
258.06940	1.4
258.10486	2.0
259.07602	2.3
259.11081	1.8
260.08289	3.4
261.09158	4.6
262.06366	1.3
262.09738	1.6
263.07053	1.3
263.10632	2.3
264.07843	3.3
265.08670	3.5
266.09241	0.9
269.09573	1.1
271.07477	3.0
272.08304	1.6
273.11243	73.7
274.06885	0.8
274.12103	5.2
275.07092	1.1
275.10632	4.0
276.07843	2.7
276.10904	0.8
277.08554	3.9
277.12067	1.1
278.09439	2.6
279.06546	1.9
279.10132	1.2
285.09079	3.8
286.09836	2.0
287.07043	1.8
287.10483	1.7
288.07791	1.7
288.11093	0.9
289.08563	4.6
289.12198	2.9
290.09357	3.9
291.10168	6.9
292.07306	3.7
292.10577	1.6
293.08054	3.8
293.11789	4.3
294.08859	1.4
297.87637	0.9
301.08606	2.0
301.12537	1.1
302.04117	1.2
302.09363	3.2
303.10022	5.8
304.10791	1.8
305.08163	1.8
305.11765	4.1
306.08829	3.8
306.12155	1.6
307.09677	9.8
307.12933	1.6
308.10233	6.4
309.11053	1.1
313.08411	1.0
315.10043	1.0
317.06656	2.6
317.11792	4.6
318.12228	1.2
319.09561	2.7
319.13174	1.9
320.10339	2.6
321.11224	6.6
321.14709	1.5
322.11823	2.6
323.12744	2.3
325.10587	3.0
325.14444	1.0
329.11490	1.2
331.09607	1.6
333.11240	2.9
334.11942	2.8
335.12741	6.9
336.13535	3.8
337.14282	2.2
339.12140	3.1
339.16003	1.3
346.12000	1.4
347.12772	2.6
349.14215	6.7
350.14810	1.1
351.12207	9.4
351.16006	1.3
352.12717	1.3
353.13861	3.3
354.14569	18.1
355.14789	1.5
361.14288	2.9
364.13043	1.4
366.14865	1.3
367.15411	4.3
379.15366	12.3
380.16010	0.9
397.16461	85.4
398.16736	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	397.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92916	1.3
51.46347	1.3
53.03941	2.0
55.01876	1.9
55.89634	1.3
70.59162	3.3
79.05486	2.0
81.03428	1.3
85.02870	1.8
89.03931	1.6
91.05489	11.0
94.04205	3.3
103.05481	3.6
105.07030	3.8
107.04954	2.5
109.06529	2.3
115.05447	2.6
117.07090	2.2
119.04967	7.1
121.02892	1.4
122.03632	6.9
128.06253	4.0
129.07018	7.1
131.04976	3.8
131.08597	4.7
137.05972	99.1
138.06320	3.2
141.06975	3.1
142.07800	1.8
143.08601	2.5
144.05713	2.5
145.06477	2.0
146.07285	1.8
147.04408	3.7
147.08107	2.0
149.06012	4.2
151.07567	12.9
153.05650	1.7
153.06917	2.8
154.07780	2.8
155.08563	2.8
156.05791	1.6
157.06543	3.8
157.10130	1.4
158.07233	2.3
159.08080	6.6
161.05965	15.5
161.09630	2.4
163.04074	1.5
163.07567	3.3
165.07022	6.1
165.93636	1.2
167.08592	4.0
169.06529	4.7
170.07310	1.8
171.08041	4.1
172.05220	1.5
172.08868	4.9
173.09650	1.3
175.07544	7.2
177.05507	2.1
181.06444	3.3
182.07260	8.2
183.08099	3.8
184.05179	2.1
184.08916	4.1
185.05902	1.6
185.09601	10.7
186.06827	2.4
187.07591	5.7
187.11240	2.7
189.09090	3.4
191.07043	9.4
194.07172	2.3
195.08089	2.4
197.06111	3.3
197.09607	12.3
198.06757	16.5
199.07550	11.2
199.11246	2.0
200.08241	3.4
201.09106	4.2
202.07864	2.8
203.10745	1.9
205.08629	2.5
207.10257	1.4
210.06712	3.4
211.07591	5.4
212.08408	6.0
213.09077	23.9
214.09624	1.8
215.08873	2.4
215.10602	7.1
217.05014	3.4
217.08556	2.3
218.05717	2.2
219.06580	4.7
220.07300	10.0
225.09094	15.9
229.08488	3.3
231.10168	2.0
232.07162	2.1
235.09749	2.0
237.09048	1.7
242.09445	2.2
243.08061	1.5
243.10146	19.1
245.09679	4.9
246.10452	2.1
247.05925	3.1
247.07121	2.5
247.09610	34.1
248.06900	4.3
248.10406	6.6
255.10161	7.3
257.09637	2.1
258.08936	2.0
259.09781	5.1
260.08176	1.8
261.09088	3.5
261.11340	6.7
262.09677	1.5
263.07352	2.0
263.10538	2.5
264.07855	3.1
265.08658	3.7
271.07645	4.6
272.08273	1.9
273.09116	2.7
273.11246	71.8
273.39935	1.3
274.11694	4.8
275.10608	4.5
276.07874	3.6
277.10791	43.0
277.13510	2.2
278.08908	1.9
278.11441	2.3
279.09985	1.8
285.09061	3.4
286.09851	1.5
287.06955	2.3
287.12811	6.7
288.07861	2.1
289.08685	3.9
289.12372	2.3
290.09409	3.9
291.09937	7.9
292.07394	1.9
293.08145	3.2
293.11746	5.2
301.10910	8.9
302.09280	1.7
303.10217	5.4
304.10864	2.8
305.08212	1.5
305.11755	5.0
306.08853	1.6
307.09293	11.3
308.10327	8.9
309.11237	2.2
315.12640	1.5
317.06680	1.7
317.11777	4.1
319.09741	3.9
320.10376	3.2
321.11142	9.2
322.11877	2.0
323.12967	1.9
325.10785	3.1
331.11887	8.3
333.11230	5.8
334.12030	2.4
334.70319	1.5
335.12643	7.8
336.13660	3.5
337.14563	2.3
339.12363	2.5
343.11694	6.9
347.13040	1.7
349.14380	6.3
351.12173	14.4
351.15979	1.8
353.13885	4.6
354.14551	19.8
354.18118	1.8
355.15024	1.7
361.12753	18.2
365.13925	2.0
367.15546	4.6
379.14102	25.8
397.16302	100.0
398.16638	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	397.1644
Annotation	Predurallone
Peak:m/z	Relative Intensity
53.03930	1.9
53.16191	1.2
55.05505	1.6
67.05491	3.7
69.03429	2.0
69.07059	3.1
69.26099	9.8
71.04996	2.9
79.05475	4.3
81.03394	1.5
81.07077	6.0
85.02876	1.5
88.08109	1.1
90.83526	1.1
91.05471	5.2
93.07040	3.4
94.04161	3.2
95.04955	3.2
95.08588	3.7
98.23306	1.9
103.05440	2.1
105.07040	6.0
107.08592	7.9
109.10152	4.0
111.08057	2.7
113.04123	1.0
117.07007	1.3
119.04943	1.7
119.08556	4.1
119.90234	1.2
121.06501	1.7
121.10129	2.8
122.03616	6.4
123.04479	1.8
123.11720	1.7
125.09601	2.3
128.06210	2.9
129.06998	4.6
131.04872	1.3
131.08563	2.3
133.06433	1.6
133.10104	3.0
135.11674	2.2
137.05968	77.0
138.06326	2.8
141.07024	1.7
142.07761	2.9
143.08548	3.1
145.06432	1.4
145.10104	3.0
147.04346	1.8
147.11633	4.8
149.05971	3.2
151.03877	4.2
151.07509	4.6
153.06993	2.3
153.12689	1.9
155.08521	5.6
157.06497	2.2
157.10091	2.3
159.08017	3.3
161.05901	5.2
161.09695	1.5
163.07478	1.2
165.06964	2.6
167.08615	3.4
171.08037	3.4
175.07555	1.6
177.05432	3.0
181.06488	2.9
183.07953	2.9
185.05930	1.8
185.09628	1.7
186.06757	1.4
187.07458	2.8
189.09174	1.2
189.16403	2.1
195.08002	2.6
197.05991	1.4
198.06653	1.7
199.07436	2.4
201.09119	4.2
202.07748	3.4
203.08607	1.9
203.10597	2.5
213.09126	4.5
215.08658	1.6
215.10666	2.4
216.09344	2.7
217.10107	3.6
217.15840	2.8
218.07239	1.5
219.08133	1.6
219.11436	1.3
225.09067	2.3
227.10611	2.5
229.10097	5.3
231.08029	2.7
231.10165	3.3
232.08885	1.6
233.09554	2.5
234.06601	2.0
235.16882	2.8
243.08014	1.5
243.10249	3.7
244.08833	2.2
245.09537	6.3
245.11809	2.2
246.10254	3.0
247.07352	1.9
247.11270	3.3
249.09033	2.2
257.09576	5.1
258.10315	4.0
259.11047	3.2
260.08426	2.0
261.08920	2.6
261.11258	2.8
263.06949	1.6
263.10599	1.5
269.09534	3.5
271.07523	2.5
272.08118	2.2
273.08978	3.0
274.09808	4.4
275.10596	3.8
276.11499	1.4
277.08908	1.9
277.12225	6.3
284.08521	1.6
285.08911	6.8
286.09799	4.4
287.10590	3.6
288.07999	1.3
288.11313	1.3
289.08575	1.4
289.12091	3.6
290.09314	2.7
293.11658	1.4
297.09042	1.9
301.03546	1.8
301.08612	1.9
302.09204	3.9
303.09985	3.1
304.10803	2.0
305.08130	2.2
305.11655	8.0
306.08737	2.4
307.09680	2.2
307.13193	2.8
308.10257	1.5
309.10995	1.9
314.09128	1.8
315.09970	1.4
316.10812	1.6
317.06323	1.7
317.11688	6.5
318.12390	1.9
319.09595	1.8
319.13086	2.8
320.10565	2.2
321.11057	4.6
321.14520	2.0
329.11752	2.7
333.11185	4.7
334.11920	1.9
335.12717	4.8
336.13342	1.8
339.16000	1.5
346.12106	2.4
347.12680	3.2
348.13446	1.6
349.14362	4.1
351.15799	2.1
354.15115	1.3
361.14206	3.7
367.15305	7.6
379.15189	12.4
397.16412	100.0
397.24887	11.0
398.16666	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	397.2221
Annotation	CHEBI:69890
Peak:m/z	Relative Intensity
53.00311	2.4
53.03941	5.7
55.05515	15.0
57.07078	5.4
57.68256	2.1
59.04995	8.2
63.13976	2.1
65.03923	3.3
65.76222	1.8
67.05505	34.6
69.03428	21.4
69.07069	31.9
69.56775	12.8
71.04991	38.3
73.06546	4.0
79.05492	24.7
81.03418	16.8
81.07056	57.6
83.04980	8.5
83.08604	13.2
85.02895	11.9
85.06560	2.4
89.06033	4.2
91.05481	21.0
93.07043	51.2
95.04968	42.2
95.08606	28.3
97.02882	6.8
97.06523	6.8
97.10164	5.0
98.22664	4.3
99.04466	6.0
105.07025	51.3
107.04977	4.0
107.08595	100.0
108.08936	3.2
109.02901	7.2
109.06521	9.1
109.10160	78.8
110.10513	3.3
111.08084	41.3
117.07025	3.5
119.08579	62.0
119.09428	3.3
121.06522	8.5
121.10146	39.3
123.08053	5.1
123.11701	12.1
125.09634	42.5
127.03926	9.1
127.11195	5.1
129.06935	2.2
131.08566	20.0
133.06517	2.8
133.10123	22.7
135.08063	4.7
135.11696	39.8
137.05978	2.9
137.09619	4.8
141.07014	2.2
143.08568	3.4
145.10118	37.1
147.08075	11.0
147.11693	90.9
148.12065	4.6
149.09608	6.7
149.13280	8.1
151.03928	3.2
151.07538	2.7
151.90111	2.0
153.12727	34.5
154.13132	4.1
156.09282	2.5
157.10124	12.0
159.11685	13.7
161.09590	7.1
161.13251	7.1
163.11205	7.0
165.09106	3.6
165.12720	11.9
171.11603	2.5
173.09666	2.8
173.13306	6.7
175.11163	10.7
175.14854	7.5
183.11719	2.3
189.16379	37.2
191.17908	4.6
192.18201	2.2
193.15936	6.1
199.14851	8.3
205.08562	2.1
207.17441	10.2
217.15866	31.3
235.09709	3.2
235.16891	27.9
247.09792	3.4
253.17809	10.0
379.21140	9.9
397.21918	8.1
397.26324	27.5
397.30865	3.3
398.26682	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	397.256
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44476	0.7
55.05498	3.3
57.07068	1.4
67.05500	5.9
68.23142	0.7
69.07053	4.7
69.84575	0.7
71.08624	1.6
78.06054	0.6
79.05488	2.8
79.55370	0.6
81.07047	9.0
83.04987	1.1
83.08616	2.7
85.06539	1.1
89.06021	1.9
91.05481	2.7
93.07034	5.9
95.04946	0.8
95.08612	7.7
96.08831	0.7
97.06524	2.3
97.10162	2.6
98.23307	2.0
105.07029	4.9
107.08594	7.7
109.06493	1.0
109.10155	4.0
117.07010	0.9
119.08574	5.7
121.10107	4.1
123.11681	2.5
125.05997	1.2
125.09590	1.8
131.08571	2.4
133.10089	3.6
135.08086	0.9
135.11671	4.6
137.05949	0.9
137.13229	0.8
143.07098	0.9
143.08554	1.5
145.10121	2.5
147.11673	3.5
149.13232	2.8
151.11255	0.8
153.09073	0.8
157.10138	2.1
158.72142	0.7
159.11710	1.9
161.13237	3.1
163.14824	7.7
169.10097	1.0
171.11673	1.1
173.13260	2.3
175.13556	0.7
175.14799	4.6
187.14838	1.6
189.11186	1.2
189.16396	2.6
191.17900	1.3
199.14812	1.0
201.16455	0.9
203.17953	0.8
205.16014	0.7
213.16515	1.3
215.18071	0.9
217.19528	0.8
227.17860	1.4
379.30069	1.1
390.69470	0.8
397.25562	100.0
397.30060	5.7
398.25885	8.4
398.36060	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3097
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24560	1.2
53.03937	1.6
55.01878	1.4
55.05506	9.9
57.07064	2.6
63.27544	1.1
67.05502	14.2
69.07069	13.3
71.33472	1.9
79.05489	13.6
81.07050	30.7
83.08619	7.0
91.05466	17.0
93.07040	35.2
95.08599	37.0
97.06518	1.9
97.10157	3.5
105.07023	44.5
107.08581	39.0
108.08935	1.6
109.10143	15.3
111.08076	3.2
117.07043	2.2
119.08569	52.7
120.08904	1.9
121.10135	27.3
122.10523	2.1
123.08099	1.6
123.11685	4.9
125.09648	3.6
131.08577	7.7
133.10133	27.4
135.08095	1.4
135.11702	7.3
137.09639	1.4
143.08583	3.6
144.09363	1.3
145.10135	10.1
147.11668	26.9
149.13243	96.0
150.13564	3.9
153.09096	3.1
157.10139	2.7
159.11641	15.2
161.13249	100.0
162.13588	6.0
163.14806	23.3
164.15138	1.6
165.09140	1.6
171.11725	4.0
173.13243	6.9
175.14819	29.3
177.16368	9.0
183.11710	1.7
185.13246	1.9
187.14836	5.5
189.16359	33.8
190.16786	2.0
191.17976	3.0
199.14787	2.0
201.16351	12.2
203.17970	23.2
204.18344	2.4
207.13943	1.5
213.16432	2.1
215.17947	6.8
217.15878	1.9
227.17931	3.7
229.19519	2.5
235.16933	3.5
237.12573	1.4
241.19450	2.9
243.21280	1.6
247.16895	3.2
249.18468	3.9
255.21024	2.0
273.20743	2.6
281.22397	3.1
287.20190	1.4
327.23080	1.9
351.30444	18.8
352.30951	2.2
354.26749	1.5
385.89142	1.2
397.30997	42.8
398.31146	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	397.31
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95543	0.6
53.95781	0.6
55.05503	5.5
57.07067	2.0
62.27755	0.6
67.05495	9.9
69.07066	10.2
71.08624	1.1
71.32433	0.8
79.05488	9.0
81.07055	16.6
83.08623	4.7
89.06026	1.0
91.05466	10.8
93.06443	1.0
93.07039	17.2
94.07336	0.8
95.04975	1.2
95.08598	23.9
96.08914	1.0
97.10160	2.2
105.07028	30.3
106.07372	0.8
107.08587	22.4
109.06528	1.3
109.10159	15.4
111.08076	0.7
117.07005	1.7
119.08578	35.1
120.08879	0.9
121.10143	21.0
122.10472	0.6
123.08044	1.1
123.11678	6.3
131.08569	3.4
133.10118	30.6
134.10495	1.3
135.10658	0.9
135.11687	15.6
137.09642	0.7
137.13246	2.2
143.08479	1.2
145.10129	5.6
147.11676	52.1
148.11990	2.5
149.09607	2.3
149.13239	7.6
157.10054	0.8
159.11673	5.1
160.67003	0.7
161.13248	100.0
162.13599	4.4
163.14804	9.2
165.09201	1.1
165.12737	2.4
169.10098	0.7
171.11710	1.0
173.13266	3.8
175.14854	4.1
177.16386	2.6
179.10692	0.9
179.14301	4.8
185.13266	1.4
187.14758	3.3
189.12752	2.5
189.16379	13.3
190.16647	0.7
191.17938	36.3
192.18294	1.9
193.12204	4.3
197.13318	0.7
199.14853	0.9
201.16336	2.6
203.17924	14.5
204.18236	0.8
205.12340	0.8
205.19519	3.5
207.13812	13.5
213.16333	1.2
215.17978	1.6
217.19508	7.6
219.13799	0.9
231.21080	1.6
233.15402	0.9
241.19467	1.1
243.21013	0.8
255.20978	0.8
257.22656	0.9
287.20145	0.8
341.24695	0.9
351.30499	3.0
379.29962	0.8
397.31036	17.7
398.31247	2.0
398.36118	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3101
Annotation	delta-Tocotrienol
Peak:m/z	Relative Intensity
53.03953	2.7
55.05511	22.9
57.07084	8.1
58.19353	1.5
59.05015	3.0
60.02547	1.6
65.03951	2.7
67.05503	34.1
68.23225	1.6
69.03423	1.8
69.07066	31.6
69.79015	8.2
71.04980	3.6
71.08620	2.4
79.05490	26.2
79.09568	1.5
81.07053	78.5
83.04990	6.5
83.08614	15.8
85.04933	1.5
85.06573	2.6
91.05470	22.1
93.07041	49.3
95.04994	2.7
95.08603	100.0
96.08953	3.0
97.06509	3.0
97.10162	10.4
101.06016	16.4
105.07027	56.4
106.07397	2.5
107.08589	51.0
109.06551	2.2
109.10152	43.5
110.10464	2.7
111.08071	3.9
111.11742	3.4
117.07027	8.3
119.08575	62.7
121.10147	50.8
121.10992	3.1
122.10516	2.3
123.08051	3.1
123.11707	23.2
124.12016	2.6
125.09627	3.8
125.16618	1.6
129.06992	3.8
131.08551	16.3
131.09291	1.6
133.10127	60.7
134.10458	3.6
135.08102	3.0
135.11688	47.5
136.12041	2.5
137.09639	3.3
137.13248	31.1
138.04337	1.6
138.13591	1.9
139.11188	3.5
143.08565	6.8
145.10121	17.0
146.10683	1.7
147.08096	1.9
147.11674	48.2
148.12045	4.2
149.09608	2.2
149.13248	25.8
150.13586	2.2
151.07597	7.8
151.11217	3.7
151.14862	3.8
157.10075	9.0
159.11699	25.9
161.09663	7.4
161.13252	88.9
162.13612	5.8
163.11223	3.6
163.14789	13.5
165.09177	3.9
165.12753	1.8
169.10081	1.7
171.11668	7.9
173.13266	9.9
175.11250	5.1
175.14833	12.0
176.11505	1.8
177.09160	3.4
177.16434	6.0
179.10648	13.7
181.72868	1.8
185.13293	5.9
187.14825	7.9
189.09113	2.6
189.12769	17.7
189.16373	25.6
190.16730	1.7
191.10713	6.1
191.17938	85.2
192.18318	5.0
193.12215	9.6
199.14919	5.4
201.16348	12.5
203.17924	19.2
205.12231	17.9
205.19543	11.4
207.13799	26.5
213.12886	1.9
213.16467	4.3
215.18039	3.5
217.12317	5.1
217.19498	16.9
219.13850	3.0
219.17404	2.5
223.14864	2.9
223.16895	1.8
227.17967	3.4
229.19456	3.5
231.13832	2.1
237.18587	4.7
239.18129	2.4
241.15779	2.0
245.15495	3.4
247.16891	3.9
259.17081	4.0
273.18607	3.8
275.20047	1.9
279.23346	2.6
287.20285	2.0
301.21237	2.1
327.23459	4.4
341.24649	2.0
351.30490	5.8
361.28851	1.9
379.29965	13.4
397.16357	3.9
397.31061	85.3
398.31277	12.0
421.78601	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.1
55.05508	9.5
55.12489	1.0
57.07071	2.3
67.05502	11.9
69.07063	12.7
70.49094	2.3
71.04970	1.9
78.32430	1.0
79.05493	12.5
81.07053	29.3
83.04974	2.0
83.08614	5.3
85.06572	1.5
91.05479	15.6
93.07041	23.7
93.86975	0.8
95.04980	1.2
95.08605	32.7
96.08928	1.7
97.06547	1.0
97.10166	3.0
101.06008	1.0
105.07027	40.6
107.08589	28.1
109.06501	1.4
109.10136	19.1
117.07023	2.4
119.08575	44.5
120.08888	1.9
121.10138	28.3
122.10517	1.2
123.08054	2.1
123.11720	7.5
131.08603	6.6
133.10123	36.3
134.10434	2.2
135.11685	25.6
136.12000	1.4
137.09586	1.6
137.13257	2.6
139.07523	1.0
143.08554	1.7
145.10098	7.6
147.08069	2.0
147.11681	66.7
148.12033	3.5
149.09642	3.1
149.13248	10.4
151.07495	4.6
157.10089	2.0
159.11702	8.0
161.13252	100.0
162.13579	4.6
163.14810	10.7
165.05484	3.3
165.09137	1.4
165.12761	3.4
171.11734	2.1
173.13251	5.0
175.07513	3.1
175.11261	1.0
175.14781	6.7
177.12692	1.0
177.16406	2.5
179.10645	1.5
179.14314	6.1
185.13298	2.0
187.14844	4.1
189.12762	3.8
189.16406	14.8
191.10687	1.4
191.17941	36.1
191.19696	1.9
192.18355	2.6
193.12244	3.5
199.14748	1.1
201.16371	5.4
203.10733	1.2
203.17967	18.6
205.12233	1.7
205.19507	5.4
207.13806	13.5
208.14168	1.0
213.16333	1.6
215.18030	2.2
217.12247	1.1
217.19452	8.0
227.17973	1.5
231.21001	1.6
233.15344	1.8
235.13280	3.7
241.19440	1.9
259.13492	1.4
273.18396	1.0
281.22498	1.5
318.27893	1.0
327.23059	1.6
351.30399	4.7
365.27899	1.0
379.29883	2.1
397.16010	1.2
397.25946	3.2
397.30969	26.2
398.31241	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	397.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.4
55.01872	2.3
55.05512	100.0
56.05848	3.2
57.03424	2.9
57.07062	8.2
60.95774	1.7
63.05466	1.9
67.05161	3.0
67.05506	52.6
69.07070	30.0
69.43381	12.5
71.04997	6.0
71.08636	2.8
71.57015	2.0
79.05487	22.9
81.07056	74.6
82.07353	2.1
83.04981	6.4
83.08622	71.4
85.06563	4.8
87.04478	2.7
91.05473	17.0
93.07047	27.4
95.04955	3.0
95.08604	66.4
97.06525	7.1
97.10162	8.3
98.10528	1.9
99.08096	3.5
101.05972	2.1
105.07037	12.8
107.08589	18.6
109.06503	3.1
109.10161	39.4
111.08060	3.7
111.11710	4.5
115.08714	2.7
117.07021	3.1
119.08582	15.7
121.10152	22.0
122.10446	2.0
123.11692	13.8
125.09630	3.7
127.11179	2.1
129.06927	1.9
131.08583	5.6
133.10138	13.6
135.11710	18.5
137.13260	10.9
139.11200	3.4
145.10139	8.3
147.11681	9.2
149.09644	2.6
149.13260	5.4
151.11174	2.8
151.14828	5.1
153.12782	3.3
159.11719	6.4
161.09859	2.1
161.13225	13.0
163.14822	3.1
165.12762	3.0
167.10655	2.0
173.13278	4.2
175.14835	4.0
179.14284	5.4
181.12231	2.0
185.13206	2.7
187.14835	3.6
189.16382	3.5
195.13889	2.2
201.16444	2.7
243.21060	12.1
249.93944	1.8
261.22165	20.6
279.23206	80.1
280.23450	5.6
297.24188	9.9
369.24374	2.6
391.62332	2.7
397.23404	2.7
397.31125	6.2
397.35443	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	397.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28763	4.9
53.03936	5.1
55.05511	43.3
57.07079	87.3
62.68312	5.1
67.05505	68.1
69.07080	53.0
70.59739	4.9
71.04993	10.5
79.05486	40.9
81.07054	97.9
82.07370	5.0
83.04948	4.5
83.08635	27.9
87.04483	6.4
91.05478	25.2
93.07050	77.3
94.07378	6.3
95.04972	13.5
95.08605	100.0
97.06547	14.0
97.10178	30.6
98.23361	11.0
105.07019	41.8
106.94366	4.7
107.08588	77.6
109.10168	47.2
119.08571	44.3
121.10136	39.4
123.11689	14.9
125.09631	11.3
127.11208	35.5
129.07016	5.5
131.08591	9.8
133.10146	24.0
135.11688	52.4
138.73842	5.1
139.11192	5.7
143.08560	9.9
145.10144	20.5
147.11711	19.9
149.13301	11.7
151.11295	5.1
159.11702	16.8
161.13240	15.9
162.66902	4.7
163.14861	14.6
171.11661	7.2
173.13272	12.5
175.14835	13.1
177.12582	4.6
187.14827	11.9
189.16226	6.4
191.06972	4.9
201.16444	10.8
213.16417	6.1
217.12372	5.6
217.19572	10.3
228.87471	6.3
231.21187	8.7
235.20630	9.4
253.21606	9.7
255.21027	5.2
261.11026	15.8
261.22214	6.0
279.23209	22.4
379.32291	7.6
397.27216	16.0
397.30972	20.8
397.35132	8.4
418.75632	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	397.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.1
55.05261	1.6
55.05510	16.2
57.03436	1.5
57.07076	3.0
66.46853	1.1
67.05506	35.3
69.07067	21.7
71.04992	3.0
79.05495	30.5
80.13696	1.3
81.07060	100.0
82.07390	2.2
83.04981	1.9
83.08621	10.9
85.06570	1.8
86.78989	1.2
91.05482	21.4
93.07047	48.9
94.07382	1.5
95.04969	2.6
95.08607	100.0
96.08939	3.5
97.06541	2.9
97.10154	7.3
97.63395	1.4
105.07031	41.8
106.03213	1.4
107.08599	57.1
108.08911	2.0
109.06509	2.4
109.10159	49.3
110.10448	1.5
111.08089	3.2
111.11693	1.6
117.07023	3.8
119.08581	52.6
119.09431	2.6
120.08892	1.5
121.10147	47.3
122.10535	2.7
123.08101	2.3
123.11715	12.9
131.08560	11.1
133.10132	33.5
135.11694	61.1
136.12012	1.5
137.13280	5.1
139.11182	2.0
143.08574	1.8
145.10103	13.5
147.11691	22.0
149.13268	24.4
151.11214	1.6
151.14836	3.5
154.06497	1.4
157.10199	2.4
159.11707	15.6
161.13278	22.1
163.14813	25.7
165.12741	1.3
171.11729	2.2
173.13243	13.5
175.14819	61.3
176.15157	3.5
177.16377	11.2
177.78114	1.2
178.16722	1.6
179.14348	5.4
185.13239	3.0
187.11002	1.4
187.14844	12.5
189.16386	34.4
190.16676	1.7
191.14311	2.5
191.17943	29.1
191.19472	2.1
193.15889	3.7
199.14880	3.3
201.16406	10.1
203.17923	10.1
205.15875	4.7
205.19447	1.5
207.17415	6.5
213.16452	2.3
215.17970	13.9
217.19507	7.2
219.17371	3.3
227.18005	2.8
228.89545	1.3
229.19551	8.8
230.19971	1.2
231.21175	2.6
233.18990	4.3
241.19576	4.3
243.21132	7.8
245.22598	2.3
247.20613	3.2
255.21059	4.2
257.22601	4.8
261.22260	4.4
269.22696	3.1
279.23218	13.8
309.25778	1.9
337.28925	2.2
353.31848	2.0
379.33545	20.0
380.34097	2.9
397.34689	66.8
398.34976	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	397.3827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	20.4
57.07069	20.5
61.00009	4.2
67.05515	41.4
69.03422	5.8
69.07069	36.6
71.08617	22.7
75.29021	4.2
79.05495	18.1
79.14764	4.1
81.07061	69.2
82.91846	4.4
83.08620	17.1
84.08138	5.3
85.10181	17.3
91.05477	18.6
93.07055	33.6
95.08610	73.6
97.10130	22.3
105.07035	35.9
107.08588	38.1
109.10159	53.5
111.11748	11.6
112.07581	25.2
112.34888	4.6
113.07949	12.3
118.97115	4.0
119.08569	38.3
121.10157	28.8
123.11711	23.9
130.08652	41.2
131.08948	14.2
133.10101	29.5
135.11688	56.0
145.10126	10.8
147.11679	87.9
149.13213	24.2
152.09660	4.5
156.25885	4.2
159.11711	9.9
161.13245	55.3
163.14815	9.6
164.27303	4.8
165.16371	6.5
173.13235	6.4
175.14801	23.3
179.17867	5.9
187.14870	6.8
189.14865	4.9
189.16455	17.1
201.16362	6.8
203.17934	7.3
206.69283	4.7
215.17929	11.7
217.19572	6.0
229.19612	6.5
233.22542	6.6
243.21030	8.9
261.25818	7.2
276.98880	4.6
299.27054	5.7
397.33435	6.1
397.38306	100.0
398.38672	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	398.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.7
55.01862	2.7
57.03431	5.1
59.04988	1.2
61.02917	3.5
67.05479	1.7
68.99776	1.3
69.03426	13.3
69.07062	3.3
69.22755	5.9
71.01350	1.3
71.04996	1.0
73.02911	24.8
79.05515	0.8
79.92260	0.6
81.03411	2.2
81.07050	1.8
83.04944	0.8
85.02898	23.2
85.06557	0.9
87.04452	4.1
91.03950	1.2
91.05466	1.1
93.07044	1.4
94.04227	0.6
95.04950	3.0
97.02892	15.0
97.06518	1.3
99.04478	1.3
103.03958	0.7
103.05438	1.2
105.03329	0.8
105.07037	0.8
107.04927	0.8
109.02859	2.7
111.04449	0.8
111.08074	1.5
115.03905	8.8
117.06962	1.0
121.06507	1.2
123.04422	100.0
124.79239	0.7
127.03911	6.2
131.04898	2.4
132.06642	0.7
133.02841	1.1
133.04965	13.2
135.08011	1.1
137.05896	1.0
137.09557	1.0
139.03775	0.9
141.05428	2.6
145.04941	13.7
147.08023	0.7
150.07600	1.7
151.03911	1.0
161.02321	1.5
163.06007	6.8
163.07361	1.4
164.04680	1.6
165.09122	1.3
167.03391	15.0
167.06966	1.2
169.04927	1.8
173.05902	0.7
175.03860	0.6
179.03391	6.2
181.05099	1.2
183.10161	1.4
193.04991	0.9
195.10139	1.4
199.07718	0.9
201.05489	0.8
201.11230	1.5
203.00060	5.3
213.05525	1.7
213.11208	1.8
216.07721	0.7
219.12297	1.4
223.05934	2.1
226.02591	0.7
227.07011	2.7
229.04958	1.9
239.65251	0.7
240.04158	0.7
241.04884	1.5
241.07050	2.0
242.05629	1.0
244.07233	1.3
245.08075	27.3
249.21306	0.7
255.06380	4.9
257.04495	2.7
258.05307	7.3
259.08118	1.9
272.06757	4.8
273.07550	27.0
295.10226	0.8
301.06937	6.4
315.01181	0.7
319.08023	2.7
325.03665	3.7
338.00876	2.2
353.03232	21.5
354.01135	0.6
381.02756	6.7
398.14951	1.6
399.03821	6.7
400.06479	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.0
56.08813	0.6
57.03421	3.0
61.02924	1.1
61.38204	0.7
65.03927	0.8
67.05488	1.4
68.99778	0.7
69.03422	8.0
69.07069	1.7
70.80106	1.5
73.02901	3.5
79.05506	0.9
81.03439	0.9
81.07056	1.0
85.02906	8.9
87.04442	4.4
93.07005	0.9
95.04971	3.3
97.02892	7.7
98.09689	1.6
105.03379	0.8
107.04977	1.1
111.04475	0.7
111.08088	1.8
115.03923	8.5
119.08562	0.9
123.04424	100.0
124.01535	1.0
127.03915	1.7
133.02878	1.1
133.04965	8.7
135.08084	1.0
137.02357	1.0
139.03947	0.9
141.05507	1.7
145.04938	3.7
147.04424	2.2
161.02242	1.1
163.06032	2.0
164.04733	0.8
167.03392	13.5
167.07114	1.2
177.09167	0.9
179.03374	6.0
183.10178	1.3
185.05870	0.7
195.10074	1.2
201.05521	1.2
203.00092	5.0
213.05492	1.1
216.07654	1.0
226.06334	0.8
227.07022	2.7
229.04959	2.5
232.43756	0.7
241.04889	1.3
241.07040	0.8
242.05743	0.9
243.06482	1.9
244.07256	2.3
245.08072	27.1
255.06435	4.5
257.04434	3.0
258.05164	6.5
271.05939	0.9
272.06851	4.5
273.07556	27.6
301.06976	7.0
319.07996	2.3
325.00256	0.7
325.03693	4.4
338.00925	1.9
353.03201	18.6
381.02795	7.9
395.03699	0.8
398.14896	0.8
399.03778	5.6
414.41800	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0378
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75761	0.3
51.02375	0.6
53.03947	0.3
53.68479	0.2
55.01870	0.5
65.03925	0.5
67.05497	1.3
68.99792	0.7
70.57781	0.6
77.03911	0.7
94.04177	0.4
95.04958	2.6
105.03391	1.3
107.04948	0.6
111.04423	0.4
123.04422	100.0
124.01547	0.6
124.04740	2.9
133.02872	1.1
135.04433	0.5
137.02296	0.7
139.03894	0.6
141.05455	1.4
149.02367	0.4
150.03102	0.5
151.03896	1.1
152.01009	0.5
153.05463	0.4
161.02348	1.6
164.04700	0.6
167.03391	14.4
168.03784	0.5
170.02162	0.5
179.03383	6.4
181.04958	0.5
189.09091	0.3
197.05998	0.5
198.06750	0.8
199.07529	0.6
201.05484	0.8
203.00069	6.6
211.07516	0.3
212.04620	0.4
213.05388	1.4
214.57285	0.3
215.07089	0.6
216.07704	0.5
217.08556	0.5
226.06284	0.6
227.07031	3.1
229.04944	2.8
231.06519	0.3
240.04066	0.5
241.04927	0.7
242.05716	1.4
243.06506	1.1
244.07207	1.7
245.08086	24.3
246.08490	1.5
255.06548	4.7
257.04428	2.5
258.05206	5.6
259.05826	0.5
271.06042	0.8
272.06772	4.1
273.07541	26.1
274.07867	2.0
301.07101	5.4
302.07184	0.6
319.08121	2.5
325.03741	3.9
338.00900	1.9
353.03220	19.4
354.03491	1.3
381.02698	5.9
382.02756	0.4
394.71500	0.3
399.03799	4.8
400.04321	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.4
54.58540	0.4
55.01859	0.6
57.03414	0.7
59.82232	0.3
67.05496	1.6
67.98724	0.3
68.99793	0.9
69.03429	1.9
69.07054	0.7
69.37363	2.5
73.02893	1.0
77.03934	0.7
81.03407	0.5
85.02890	3.0
87.04453	1.2
88.74390	0.4
91.05463	0.5
95.04958	2.3
97.02885	2.2
103.05452	0.5
105.03386	1.0
107.04939	0.7
111.04453	0.7
115.03905	2.0
123.04420	100.0
124.01539	0.5
124.04776	2.9
127.03909	0.7
131.04974	0.5
133.02841	1.0
133.04959	1.2
135.04402	0.8
139.03928	0.8
141.05473	1.8
145.04948	0.7
145.06541	0.4
147.04437	0.9
150.03094	0.6
151.03914	1.3
152.40944	0.4
153.05461	0.5
155.04904	0.4
157.06522	0.3
161.02350	1.1
161.06017	0.8
163.03871	0.5
164.04697	1.0
167.03397	15.5
167.07100	0.5
170.02103	0.6
173.05992	0.4
176.10201	0.3
179.03380	6.5
181.04922	0.8
185.06026	0.7
197.05992	0.4
198.06738	1.0
199.07475	0.5
201.05513	0.7
203.00082	6.3
212.04697	0.6
213.05421	2.0
215.07085	0.5
216.07825	0.6
217.08551	0.5
226.06219	0.7
227.07066	3.3
227.80734	0.3
229.04944	2.3
240.04140	0.5
242.05783	0.8
243.06554	1.7
244.07346	2.0
245.08073	26.6
246.08490	2.1
255.06496	4.4
256.07242	0.7
257.04465	2.6
257.07037	0.4
258.05197	7.2
259.05847	0.6
271.03052	0.4
271.06012	1.1
272.06735	4.5
273.07547	28.2
274.07883	2.4
301.03635	0.4
301.07068	7.5
319.08041	3.1
325.03683	3.8
338.00778	2.3
352.02319	0.5
353.03232	20.8
354.03589	1.4
381.02786	6.5
382.02979	0.6
399.03833	5.9
400.04034	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77519	3.4
51.47898	3.1
56.96565	5.8
67.05496	3.5
68.12113	2.8
69.03418	12.8
69.69318	17.0
70.06599	13.0
72.08164	5.9
74.06041	3.7
81.03407	4.2
81.07085	3.2
83.04935	3.2
85.02911	14.3
95.01328	5.5
97.02892	13.1
98.22578	4.7
98.97596	18.3
99.04465	3.8
103.05465	4.4
105.07049	4.3
107.04887	3.1
110.06042	4.1
110.52579	3.0
110.97592	6.4
111.04463	7.8
116.98616	9.6
119.08588	4.9
120.08108	12.4
122.06055	4.6
123.04416	4.1
127.03974	4.8
128.29417	3.2
128.98628	5.0
131.04903	4.3
136.06233	4.4
140.07071	10.4
141.07455	3.1
141.83347	3.5
150.49019	3.6
157.09674	4.0
167.06984	4.2
168.06505	6.2
172.31686	3.3
174.12781	18.3
192.13846	13.5
193.01845	3.1
205.04890	4.4
219.01772	3.7
220.13324	5.9
236.09137	4.5
237.02879	9.6
237.09306	6.1
238.14345	41.5
250.09404	3.9
255.05434	5.1
279.05255	4.9
339.07538	5.1
347.47733	3.7
357.08694	4.5
399.11331	100.0
399.16486	45.7
400.11060	7.1
400.20358	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	399.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
64.39416	11.3
71.30182	18.5
85.02913	15.7
86.79516	9.5
97.02894	49.6
98.97559	24.6
102.05515	20.0
109.39828	10.0
110.12800	11.4
112.34058	10.5
119.01908	17.9
136.06192	81.3
158.99612	12.9
161.22934	10.5
197.02870	10.2
198.33186	11.9
203.04051	10.9
228.05679	13.3
250.09354	43.2
251.06717	12.0
298.09540	15.7
339.09302	17.1
374.14151	9.9
389.75250	12.0
399.10745	100.0
400.10559	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	399.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	9.0
55.05508	15.6
57.03446	7.3
57.07057	7.6
67.05514	15.6
69.03429	9.6
69.07070	12.3
69.23286	58.4
71.04989	13.3
71.08646	11.7
79.05494	24.5
80.68800	6.0
81.03433	13.0
81.07058	28.1
83.08637	8.6
85.02912	13.4
91.05472	14.8
93.07070	13.5
95.04974	13.9
95.08611	18.8
97.02897	11.1
98.23306	12.9
99.08146	7.3
103.05476	8.0
105.07046	22.4
107.04970	7.6
107.08598	20.2
109.10150	13.3
111.08031	11.1
119.08585	16.7
121.06477	11.3
121.10091	7.3
125.09633	12.6
127.04042	7.1
129.05504	7.7
131.04936	10.7
131.08633	8.2
133.10118	32.3
137.05968	22.8
143.08510	7.2
145.10106	10.6
147.11662	12.6
151.03885	9.3
157.06409	9.6
159.07964	8.6
159.11674	12.4
161.06050	11.3
161.09636	12.9
167.07024	18.8
173.13307	7.6
181.04955	18.6
197.07738	9.5
219.17459	12.1
245.08070	9.1
253.10527	7.6
278.73865	7.4
348.80859	6.7
369.13272	10.6
381.18497	8.4
399.15512	100.0
399.20178	21.9
400.16000	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	399.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43515	0.5
56.96558	1.4
57.19716	0.4
63.63208	0.4
69.03434	1.4
70.57438	1.2
85.02901	3.4
97.02900	2.7
98.97580	10.4
101.00900	2.2
101.01482	0.4
102.05542	0.6
110.70885	0.4
113.00866	0.8
115.62042	0.4
116.98617	5.9
119.01903	3.8
126.99879	0.5
127.03927	0.7
131.01906	2.0
134.19043	0.4
134.99638	1.3
136.06204	2.3
137.03061	0.4
137.06004	0.8
143.01907	1.4
145.03461	1.8
154.92697	0.5
155.01875	1.7
157.03496	1.3
161.02968	2.3
172.94348	0.5
173.03003	1.4
174.56114	0.5
177.00793	0.5
181.03464	0.8
185.02930	1.6
187.04549	1.0
195.01382	0.8
195.05116	0.7
197.02979	2.9
199.04543	0.8
203.03818	0.7
203.05435	1.3
209.02986	0.8
211.04552	1.0
213.02426	4.7
215.03999	0.7
219.01744	0.7
221.03076	0.6
221.05020	1.1
223.00902	0.9
223.04529	0.7
226.88615	0.5
231.03445	0.6
231.79619	0.4
232.96570	0.5
235.04468	0.8
237.02480	6.6
237.06061	0.8
239.04053	0.7
245.05197	0.8
247.04588	1.0
249.02432	1.5
250.09370	1.6
251.04016	0.5
255.03503	6.0
256.03656	0.5
256.96463	1.5
261.02490	0.6
262.02979	0.5
263.04028	1.1
265.05527	0.4
266.96902	0.4
267.03503	1.8
274.97501	11.2
279.03381	2.6
281.05093	2.3
291.03632	1.1
292.98526	6.0
297.04645	2.1
321.04520	1.2
321.08020	0.6
339.05612	12.5
339.09201	1.3
340.05905	1.8
348.07254	0.5
357.06650	10.7
357.10672	1.0
358.06918	1.1
375.07990	0.8
378.22473	0.5
381.11484	3.6
388.70947	0.5
393.08746	1.7
399.12604	100.0
400.08121	0.7
400.12976	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	399.126
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	0.7
70.46149	1.0
71.05031	0.4
97.02899	0.9
98.97588	1.8
116.98598	0.4
136.06245	0.8
185.04213	1.1
219.01845	0.4
237.02698	1.1
237.07343	3.4
250.09431	0.9
274.97302	0.5
339.07629	0.6
357.08582	0.4
399.12613	100.0
400.12921	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	399.1285
Annotation	Picraquassioside A
Peak:m/z	Relative Intensity
50.61733	1.0
55.05506	1.9
57.03431	2.0
62.67554	1.0
68.99813	1.9
69.03425	2.0
69.29171	1.9
69.29579	6.1
70.06597	1.8
73.02906	1.2
79.01881	2.0
79.05502	1.9
79.90638	1.0
81.03409	2.1
81.07034	1.0
83.04978	3.7
85.02894	7.7
85.06516	1.4
91.05487	2.0
93.07030	1.8
95.08629	1.0
97.02887	3.2
98.12347	1.2
98.22636	2.4
98.97553	1.9
99.04460	1.5
105.07059	1.1
107.04975	1.2
109.02855	1.3
111.04443	72.9
112.04762	2.0
121.02847	1.3
123.04406	3.3
125.02382	1.3
127.03951	1.7
131.04869	1.7
133.06544	1.1
135.04410	4.7
137.05936	1.6
139.03889	10.8
149.05959	1.9
151.03879	4.1
151.07578	1.4
153.01813	1.9
153.05460	1.2
161.05902	1.9
162.22737	1.0
163.03905	4.7
163.07573	2.3
165.01823	7.6
165.05504	3.4
167.07045	1.5
172.33687	1.0
173.05980	2.5
175.07614	1.8
177.01808	2.0
177.05487	2.2
178.06261	2.6
179.03325	1.8
181.04976	2.0
183.02899	2.6
185.06053	1.2
187.03955	1.5
187.07632	1.7
189.05473	4.8
191.03349	3.2
191.07057	10.2
192.04079	1.1
193.05006	2.5
195.02921	7.1
201.05505	3.8
202.06099	1.1
203.03537	1.4
203.07047	6.0
204.07874	1.4
205.04967	29.0
206.05725	14.1
207.06386	3.2
213.05341	1.2
215.07140	4.9
217.04956	12.1
218.77969	1.2
219.06494	16.1
220.07117	2.2
221.04494	2.3
229.08543	1.9
230.05804	1.1
231.06522	17.4
232.07175	2.7
233.04555	1.8
233.08006	4.0
235.06000	23.2
236.06206	1.7
237.07574	3.9
238.14369	1.1
241.04982	1.3
243.02827	2.7
243.06528	8.4
244.07156	2.1
245.04546	1.4
245.08080	9.3
247.06010	2.6
249.07584	39.6
250.08133	2.3
255.06560	1.9
257.08109	2.2
259.06000	7.7
261.04028	3.7
261.07513	7.8
263.09219	2.3
271.06131	1.7
271.09488	1.8
273.07571	3.4
277.07101	2.6
279.08633	52.0
280.08972	4.1
285.07571	3.8
289.07098	5.4
289.10660	4.0
291.08643	2.4
299.09268	1.6
301.07104	3.7
303.08582	18.5
304.09055	2.2
309.09686	3.8
317.10226	4.1
319.08047	3.9
327.08615	5.9
333.09683	19.3
334.10086	1.9
337.09235	2.0
339.78357	1.0
345.09692	10.8
363.10764	31.8
364.10995	3.2
381.11783	46.3
382.12045	5.3
391.19214	1.2
399.12772	100.0
399.71356	5.2
400.13095	8.2
400.15952	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	399.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02866	3.9
55.01866	5.7
55.05494	13.8
57.03436	7.5
57.07076	8.4
59.05007	4.9
61.02907	6.8
67.05499	31.1
69.03426	22.9
69.07063	15.0
70.49682	13.6
71.04986	25.8
73.02942	3.7
75.79809	3.6
79.05489	35.2
81.03416	7.3
81.07052	72.8
83.04967	4.7
85.02907	40.2
85.06526	6.4
85.75938	3.5
91.05460	23.1
93.07045	57.4
95.04960	11.2
95.08611	26.5
97.02870	10.5
97.06529	15.4
97.10123	5.2
99.08074	10.8
104.32116	4.6
105.07026	100.0
107.08588	41.7
109.02873	4.5
109.06523	10.9
109.10134	35.3
111.08080	6.0
115.03915	5.6
117.07008	12.9
119.08579	56.5
121.06517	7.1
121.10133	31.2
122.10508	5.3
123.08062	18.2
123.11713	23.2
125.09641	32.2
127.03931	6.2
128.06133	3.7
129.07022	5.9
131.08563	17.8
133.06506	7.7
133.10121	43.5
135.11674	14.2
137.09619	25.9
139.11205	6.9
142.07722	6.2
143.08586	4.4
143.10690	24.0
145.05000	5.9
145.10117	30.6
147.11676	94.4
147.39516	4.2
148.12105	4.5
149.13211	5.3
151.11182	4.6
157.10098	12.9
159.11676	29.8
161.13257	10.8
163.11215	7.4
167.10657	4.8
171.11674	7.7
173.13214	5.4
175.11195	5.8
175.14891	4.6
197.19221	4.4
201.16399	15.4
209.11757	6.1
213.16525	5.0
219.17430	61.0
221.11609	4.3
229.86638	4.0
231.17413	9.6
237.14903	22.0
237.18451	7.2
345.20737	5.3
399.20059	16.5
407.97559	4.4
417.12692	3.7
419.42828	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	399.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	8.0
55.05509	29.4
57.03442	7.5
57.07076	5.8
57.49808	4.5
65.37989	4.2
67.05500	68.0
69.03419	55.3
69.07063	25.2
71.04993	13.8
71.08636	31.3
75.90491	4.3
79.05496	61.3
79.45787	4.4
81.03409	6.0
81.06577	5.4
81.07049	85.4
83.04979	14.3
83.08616	16.8
85.06516	6.1
87.04465	5.4
90.92197	5.1
91.05486	42.3
93.07037	81.6
95.04968	39.3
95.08594	64.3
97.06524	17.2
97.10195	11.4
98.22610	14.8
99.04458	7.1
99.08118	29.4
105.07013	40.6
107.04955	10.2
107.08589	62.2
109.06505	11.0
109.10152	32.0
110.10473	5.7
111.04456	6.5
111.08051	11.3
113.09602	5.9
117.07011	9.3
119.08585	43.3
121.06478	11.5
121.10128	43.8
123.08066	7.8
123.11710	17.0
129.06985	6.8
131.08588	16.4
133.10109	35.1
135.08081	8.1
135.11693	53.4
137.09634	7.5
139.11171	10.0
143.08545	15.0
145.10114	19.8
147.08090	6.0
147.11691	16.1
149.09647	5.1
149.13274	14.4
151.11194	15.7
157.10075	8.1
159.11647	17.5
161.13255	16.1
163.11177	10.8
171.11650	13.9
173.11789	5.3
173.13208	8.0
175.14818	7.6
177.09090	7.9
177.12691	9.8
179.10788	4.9
179.14305	84.8
181.04987	6.5
183.48624	5.7
185.13251	7.1
187.13225	6.2
189.16374	8.7
191.14214	6.0
191.42365	5.6
195.13910	6.1
207.13820	24.5
225.14844	13.2
277.21661	38.1
311.09052	20.9
329.13773	5.7
345.24374	7.2
363.25281	100.0
363.29739	7.4
364.25653	10.4
381.12671	6.0
381.16949	11.5
399.18002	33.5
399.29120	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	399.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.5
55.01867	3.2
55.05252	3.2
55.05509	52.5
57.03438	23.6
57.07074	56.6
65.54694	1.4
67.05500	53.5
69.03423	1.5
69.07065	71.2
69.36243	10.3
70.06589	3.6
70.07404	2.9
71.04993	3.3
71.08627	28.5
73.06519	2.1
76.30413	1.5
79.05482	20.6
81.07056	73.8
83.04979	5.9
83.08617	51.5
85.06564	3.2
85.10174	19.8
87.04473	2.0
88.07632	7.1
91.05475	7.8
93.07043	31.5
95.08602	75.1
96.08904	2.4
97.06523	20.3
97.10163	35.9
99.08076	3.6
99.11708	2.5
101.06028	3.0
102.09200	3.1
104.95921	1.6
105.07034	6.0
107.08587	31.6
109.10156	35.9
111.08076	13.4
111.11719	9.1
113.09646	2.5
115.07540	2.7
119.07629	1.6
119.08583	5.6
121.10143	36.3
123.11704	15.4
125.09615	12.8
125.13284	2.7
127.58951	1.6
129.09143	3.0
131.08591	4.9
133.10133	4.3
135.11694	25.7
137.13248	7.7
139.11179	11.2
143.10681	3.5
145.10127	2.1
147.11632	3.7
147.13599	1.7
149.13251	14.7
151.14793	2.2
153.12767	6.7
157.10162	2.1
157.12259	3.4
159.11629	1.9
161.13290	4.7
163.14772	8.8
165.16370	1.9
167.14319	5.4
171.11716	1.9
175.14926	2.3
177.16437	6.0
181.15939	4.2
185.15326	2.6
187.14754	2.6
191.17960	5.4
195.17296	2.5
198.33455	2.0
199.16882	2.3
205.19470	3.2
207.17461	2.2
209.19043	3.9
213.18559	1.8
223.20630	2.1
261.25793	9.4
271.24008	1.9
279.26807	13.8
289.25287	5.3
289.89896	1.8
307.26257	16.6
325.27350	3.2
338.34250	7.2
343.28397	47.9
344.28687	4.4
364.95804	1.8
381.30234	13.8
399.31082	100.0
400.31467	11.7
400.37857	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49990	2.2
55.01877	2.6
57.03421	10.4
69.03431	4.4
69.56076	16.2
69.84461	2.4
70.06582	3.2
71.04988	67.5
73.02872	3.4
75.04480	5.8
81.03403	2.9
83.04967	9.7
85.02899	100.0
86.03197	2.7
97.02887	7.6
98.23229	2.9
99.04433	2.4
107.04916	3.5
109.02773	2.5
111.04436	4.4
115.05446	18.0
117.02183	2.4
123.04391	7.2
127.03910	5.0
129.05466	42.4
131.04933	6.9
139.03860	4.8
143.03423	2.7
143.04930	6.0
145.04955	5.3
147.06528	21.9
153.01836	29.7
153.02946	4.8
160.05222	3.3
161.05983	3.4
164.09209	3.1
167.06989	7.4
171.04393	10.0
175.07626	4.9
177.05482	5.2
181.04959	5.4
188.04669	4.8
199.03889	3.5
202.38466	2.5
203.07031	20.5
206.02168	2.5
231.06500	51.4
239.05466	5.0
249.07535	9.1
255.08658	3.1
308.19339	2.6
383.14938	5.6
387.72403	2.5
401.13712	18.4
401.18353	5.4
401.59186	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	400.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.6
55.01865	4.2
57.03426	6.2
69.03422	6.0
70.06602	4.8
70.23608	1.9
71.05005	22.1
71.26994	1.8
73.02934	5.4
79.01847	6.3
79.05489	3.1
81.03413	4.8
83.04989	2.8
85.02899	38.0
86.09696	2.4
87.13342	2.1
91.05497	3.4
95.04974	3.4
97.02885	6.2
97.59841	2.0
98.23335	5.3
103.05476	8.4
104.05809	3.8
107.04944	4.4
109.02884	2.6
111.04430	4.8
115.05456	27.3
123.04428	90.7
124.04750	44.6
125.02310	2.7
125.04959	2.3
125.05995	2.5
127.03857	3.4
129.05457	12.9
131.04921	12.2
132.05196	10.8
141.05518	2.6
143.03380	6.2
143.04967	15.0
145.04970	4.6
147.06538	5.4
147.07983	3.5
148.05212	3.0
151.03914	2.9
153.01820	45.3
153.02975	3.1
160.05238	6.1
161.06003	4.7
163.06142	2.3
163.07542	6.4
167.03398	12.5
167.07076	10.7
168.03799	5.5
171.04402	19.1
175.07555	12.7
177.05510	6.2
179.03377	4.5
180.03848	2.8
181.04976	5.0
181.08508	2.2
184.07329	7.9
188.04698	5.9
199.04004	8.6
203.00043	3.5
203.07037	37.8
204.00497	3.1
216.96581	2.1
228.07347	2.9
228.79192	3.3
230.05521	2.7
231.06503	100.0
239.09001	3.2
239.12796	8.6
244.06859	2.3
245.08083	9.3
246.08458	24.9
249.07532	20.2
256.06851	4.8
258.04898	4.6
259.05527	4.4
263.10672	2.6
272.06519	2.5
273.07404	10.4
274.07883	27.0
275.07999	2.5
301.07031	2.7
302.07327	7.3
320.08304	3.9
330.10913	3.6
339.14029	5.5
351.12170	4.8
354.03656	23.1
355.03262	6.7
382.03140	6.5
383.14700	9.6
400.04153	7.4
400.09918	2.9
400.16330	3.8
401.13681	41.2
401.18021	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	4.4
52.15966	4.6
55.01876	5.9
55.05513	21.8
56.05856	4.9
57.03433	22.8
57.07066	5.4
57.41856	4.2
61.02929	7.1
63.71503	4.5
65.03922	5.9
68.95013	3.9
69.03419	72.7
70.06589	6.0
71.04967	5.1
71.32645	8.7
73.02904	7.2
75.04475	5.0
77.01707	4.3
77.89981	3.7
79.05488	19.3
81.03434	6.4
81.07019	5.0
82.06567	5.6
83.04963	4.8
83.08617	13.0
85.02901	95.7
87.04462	46.8
91.05433	4.9
93.07030	7.2
95.04952	9.6
97.02887	55.3
100.07625	23.8
100.11246	42.7
101.11600	18.6
107.04951	38.8
109.02876	8.3
111.04462	22.2
112.04762	5.6
112.07563	6.5
115.03918	82.1
115.05383	4.6
117.07073	3.8
121.10146	5.4
123.04419	14.9
125.05975	4.6
126.09143	4.4
127.03919	19.6
128.06264	5.7
128.07077	24.5
131.08524	10.2
133.04962	85.7
134.82968	4.2
139.03940	4.8
141.07082	4.7
144.05670	7.5
145.04915	47.1
145.06003	4.4
145.06520	5.8
147.04427	7.9
150.07591	9.5
155.06998	6.8
156.05702	13.1
159.08070	20.9
163.06035	19.0
163.07335	5.3
167.07036	100.0
173.05916	6.9
181.04964	18.4
182.15366	35.8
183.15749	41.4
187.07544	11.3
189.05431	5.4
191.06955	6.1
198.12799	4.6
203.08577	4.5
205.08681	11.9
207.06528	8.3
208.05205	12.8
208.08763	6.1
210.14903	35.1
211.15208	61.2
217.08601	19.9
219.06282	5.8
219.08064	13.5
219.10013	5.1
220.08827	10.5
221.06003	9.6
228.17747	4.5
229.08688	6.9
231.08011	8.3
233.09579	10.9
236.08377	5.5
245.09790	5.2
247.07487	20.3
247.09767	14.9
248.08299	15.1
249.09200	7.5
254.05615	5.2
255.75557	4.9
256.17438	9.0
261.09052	10.5
262.09790	5.9
263.10681	15.8
264.07880	12.6
265.08606	8.9
267.06506	5.7
269.08215	10.0
271.09760	8.5
273.19989	10.5
275.06909	7.1
276.07867	11.6
277.08548	8.3
279.10016	12.4
282.08881	15.4
290.09280	9.2
291.09946	21.6
292.07141	8.2
293.08063	12.6
299.09027	9.9
307.09518	22.3
308.10233	5.9
310.08389	5.2
315.08652	38.7
319.09613	14.9
321.07675	5.7
323.12753	19.4
324.68509	5.1
328.09528	9.0
330.10904	37.7
331.11716	15.1
337.10782	13.1
338.21561	32.2
339.12213	10.8
343.11728	20.0
351.12222	27.7
353.10214	12.6
355.24152	24.7
368.12317	20.0
371.15152	5.3
383.14856	92.9
383.23557	18.2
389.94427	5.6
400.16391	7.1
400.26398	10.2
401.17551	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.6
54.30519	1.1
55.01881	7.5
57.03441	16.5
57.87876	1.1
59.04985	1.4
61.02931	14.8
69.03433	30.7
69.20910	8.5
71.01361	4.2
71.05000	2.8
73.02921	73.8
81.03421	5.5
85.02910	100.0
86.03229	2.1
87.04477	4.8
91.03964	7.3
97.02900	50.2
99.04465	2.5
103.03974	4.6
109.02857	7.7
115.03939	25.5
127.03918	31.9
133.04973	38.6
133.05928	2.3
139.03920	2.4
145.04968	53.8
150.07640	3.0
158.22177	1.2
163.06030	28.2
169.04858	1.2
193.05061	1.3
199.06030	1.4
217.07178	1.4
223.06078	3.6
241.07104	5.3
251.14944	4.1
259.08160	4.7
277.09283	1.5
286.20847	1.2
295.10172	1.7
369.13538	1.3
400.15445	1.4
401.17960	2.1
416.96445	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65805	3.4
54.71443	3.3
55.01891	2.8
57.03435	32.6
61.02921	11.3
69.03439	34.1
70.87440	5.0
70.87788	4.3
73.02914	60.0
81.03436	4.9
85.02906	100.0
87.04485	6.9
91.03991	5.2
97.02898	48.7
99.04459	4.9
107.04942	3.4
109.02870	10.2
115.03956	29.1
127.03913	30.5
133.04956	15.3
136.95934	3.4
142.80354	3.1
145.04968	59.0
146.99388	2.8
150.07567	3.3
156.05649	3.4
163.06007	31.3
167.07033	5.0
195.02922	3.6
251.14896	5.9
259.08096	4.4
270.24200	2.9
296.58856	3.0
337.11041	3.4
353.78049	3.5
365.12219	3.5
383.14694	9.1
400.20245	30.5
401.15234	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	400.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10679	0.8
55.05509	31.3
57.07074	20.6
57.07693	1.1
67.05493	3.6
69.07066	47.5
69.40652	4.3
69.41058	1.8
70.86816	0.9
71.08631	15.7
79.05475	1.5
81.07061	7.0
83.08115	1.9
83.08614	35.8
84.08942	1.1
85.10173	7.9
87.04463	3.4
88.03986	3.1
90.05550	100.0
91.05437	2.2
93.07042	2.9
95.08601	7.7
97.10169	33.6
98.10537	1.1
105.07047	1.1
106.03910	0.9
107.08586	3.2
109.10161	3.3
111.11715	17.3
121.10147	2.0
123.11692	1.5
125.13260	6.3
128.07094	0.8
133.10120	1.0
135.11688	2.1
139.14783	1.7
149.13214	2.0
163.14873	1.5
177.16418	1.0
209.19093	1.3
275.27298	4.9
293.28363	12.7
382.33121	16.4
383.33319	1.4
400.34058	1.2
401.34137	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.4
55.05513	21.5
57.07076	13.5
58.06596	2.3
59.04985	0.5
64.30489	0.3
67.05503	3.2
69.07067	36.7
70.07394	1.0
71.08629	10.0
71.39732	0.4
79.05490	1.7
81.07056	6.0
81.83114	0.4
83.04994	0.9
83.08622	23.6
84.08986	0.3
85.10180	5.7
87.04472	2.9
88.07609	0.5
91.05460	0.5
93.07039	3.0
94.07339	0.6
95.04958	0.4
95.08602	3.7
96.08956	0.4
97.06533	1.0
97.10168	20.9
98.10496	0.5
98.23444	0.7
99.08060	1.0
99.11721	0.5
101.77160	0.4
102.05538	13.6
104.07103	100.0
105.07449	1.7
107.08576	2.7
108.08923	0.6
109.10144	2.5
111.08076	0.3
111.10993	0.7
111.11719	11.1
112.69960	0.4
119.08580	0.5
121.10130	1.9
123.11704	1.1
125.13249	3.1
126.13594	0.4
127.11244	0.8
130.05029	0.4
135.11678	2.0
137.13300	0.6
139.14853	1.3
149.13245	2.4
153.16434	0.4
155.14284	1.0
163.14841	0.5
177.16502	0.4
209.19063	1.6
219.21214	0.5
234.78894	0.4
251.27336	0.5
257.21182	1.2
260.54007	0.4
261.25705	3.0
262.26169	0.5
265.14307	0.4
266.14725	0.7
279.26840	9.3
280.27161	0.5
322.31091	0.6
331.22830	0.4
372.67499	0.4
382.33157	10.0
383.33517	0.5
400.34146	1.9
400.38556	0.7
400.43732	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
55.05508	33.1
56.05836	1.1
56.45982	1.1
57.07075	25.5
58.18304	1.2
67.05485	6.4
69.03410	1.9
69.07064	55.8
71.04951	1.7
71.08628	19.2
79.05505	3.6
81.07052	12.1
83.04961	1.3
83.08614	41.0
85.10174	11.1
87.04443	2.0
88.03986	5.8
88.07625	2.1
90.05550	100.0
93.07056	6.4
95.08616	10.1
97.06508	1.4
97.10160	37.0
105.07024	2.6
107.08603	3.4
109.10149	5.5
111.11716	17.1
119.08547	2.6
121.10134	6.3
122.18666	1.2
123.11742	2.3
125.13262	8.0
127.65208	1.8
135.11679	4.4
137.05960	1.3
137.13258	2.2
139.14780	2.7
149.13188	1.8
159.08372	1.6
163.14841	2.9
175.14861	1.4
209.19012	2.5
267.32001	1.4
275.27432	4.4
293.28391	19.1
338.34290	2.4
382.33124	17.2
383.18402	2.7
383.33600	2.1
400.33328	2.5
400.37823	7.0
401.30542	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.0091
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24663	2.7
55.71179	1.8
56.96560	7.1
63.08028	1.9
71.26895	2.3
71.30154	3.4
71.95267	3.4
84.45736	1.9
98.97581	100.0
104.77390	2.0
114.79014	2.1
116.98619	55.2
133.68649	2.5
134.99670	17.6
200.25391	2.1
216.98718	2.6
219.01950	2.7
232.96521	3.8
235.00012	3.0
239.91771	1.9
240.98842	6.0
249.90971	1.9
252.97957	2.3
256.65155	2.1
256.96561	4.6
258.99792	48.4
260.00162	6.5
260.99841	6.7
261.03186	6.1
263.02969	4.1
274.97504	39.4
275.97891	5.6
276.97690	9.0
277.00803	61.3
278.01181	7.1
279.00925	5.2
282.99936	13.5
284.00168	6.0
284.99869	12.7
292.98636	22.8
293.98654	3.9
294.98386	4.5
300.02493	2.7
301.00974	19.1
302.01178	5.5
303.00934	16.8
304.01010	3.4
318.98578	3.7
359.03641	9.2
383.00168	4.8
401.01050	17.0
402.01236	5.3
418.98373	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	401.0479
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74344	20.9
70.06579	21.2
70.89931	40.7
90.70589	21.3
98.97570	22.5
110.06039	24.7
116.98694	28.7
203.83759	21.2
219.01831	26.4
226.98613	26.6
228.98032	27.5
231.06555	34.2
244.99727	37.9
262.98557	36.3
315.17572	23.9
359.99329	30.1
401.04828	100.0
401.13855	99.1
417.82425	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	401.0753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27239	0.8
56.96281	1.7
56.96563	30.3
58.41150	0.8
61.60359	0.8
68.67518	0.7
69.03423	1.5
70.51832	2.5
71.95272	2.7
84.96040	11.9
85.02905	5.6
97.02904	1.6
98.97580	100.0
99.97907	0.8
110.97564	45.5
112.99127	6.2
116.98618	35.2
119.01888	1.1
124.99144	2.3
127.03903	1.5
128.98604	38.8
131.00165	3.7
134.99646	7.7
140.98578	4.1
143.00166	8.0
144.98102	3.4
145.04993	2.4
146.99643	14.4
147.00711	1.2
149.01222	1.5
150.16528	0.8
152.98656	1.4
158.99634	10.7
161.01234	7.6
162.99083	1.1
163.97891	2.9
165.00768	1.8
170.99632	8.5
177.00705	8.5
179.00262	0.8
179.02272	1.8
181.98862	16.6
182.00352	1.5
182.99603	1.0
183.03249	0.8
186.04242	0.8
189.00722	7.0
193.01729	2.0
194.99651	1.5
195.01640	1.3
197.01323	1.4
199.99930	20.0
200.01750	1.5
201.00682	9.1
207.01842	1.0
210.99197	1.7
211.02826	3.2
212.19464	0.8
213.00789	2.9
215.02322	3.3
218.01001	3.1
219.01753	61.4
220.02177	1.3
225.00787	0.9
227.02281	1.1
229.00208	6.2
229.03835	1.1
236.21118	0.8
237.02802	95.9
238.03215	2.9
239.02119	4.3
242.03386	1.1
243.01828	1.4
251.02162	1.8
255.01735	0.9
255.03896	5.2
257.03275	8.0
259.99924	5.0
260.04419	1.3
261.02814	1.8
269.03265	4.2
274.97543	1.3
275.01974	1.1
278.00943	6.6
279.04022	1.3
281.03345	2.7
283.04831	0.9
287.04379	1.1
293.03235	4.8
299.04431	4.4
311.04346	1.1
323.04251	1.2
326.03040	5.3
341.05380	15.6
342.05731	1.0
344.04187	3.2
345.31146	1.2
359.06464	43.9
360.06726	1.4
373.04407	0.9
377.07581	2.9
401.07578	39.5
401.13550	4.7
402.08020	3.2
419.08865	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	33.2
57.07077	14.6
67.05504	27.2
69.07062	35.7
69.21406	22.0
69.21812	57.3
70.06568	17.9
79.05493	11.1
81.07052	39.5
87.04475	14.9
88.07632	22.6
88.61364	10.5
91.05465	24.3
93.07047	28.2
95.04966	11.4
95.08614	34.4
105.07026	28.3
107.08598	29.9
109.06514	18.4
109.10165	27.6
119.08567	26.9
121.10147	21.6
131.08568	15.2
133.10110	19.9
135.11662	13.2
137.05974	100.0
138.06189	10.4
143.08546	14.5
145.10124	23.0
159.11742	12.3
164.01785	9.6
187.33891	9.4
217.05020	15.7
267.98044	12.2
307.09213	10.7
338.34116	18.6
340.35751	17.8
341.10291	20.8
400.37933	58.5
401.38284	29.2
402.39395	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	8.5
57.03436	12.1
60.17019	2.6
67.05523	5.7
68.99800	2.9
69.36630	18.5
71.04991	22.3
73.02925	4.5
79.05492	4.0
81.03440	4.9
85.02902	28.0
91.05468	3.9
95.04984	5.9
97.02908	6.1
103.03933	6.2
107.04942	8.4
109.02872	8.6
113.05978	20.0
121.02872	10.5
123.04420	29.8
127.03905	6.5
137.05980	5.4
139.03886	26.1
147.04417	9.5
149.02364	3.8
151.03908	36.4
153.01807	23.6
161.05998	3.0
163.03902	28.3
165.01804	36.2
165.05492	6.0
167.07027	19.5
169.04993	5.2
175.03891	4.6
175.07590	5.3
177.01826	40.5
177.05429	5.7
179.03281	3.6
181.04973	4.4
183.02902	10.8
187.07664	3.1
189.01833	3.0
189.05484	5.3
189.29716	2.8
191.03366	26.9
191.07042	4.6
193.04965	30.5
195.02875	96.2
196.03268	4.6
203.03540	4.1
203.06992	4.5
205.04951	38.2
217.05003	9.6
217.08611	8.7
219.02884	65.2
220.03281	5.2
221.08066	14.0
224.51692	2.7
231.02937	14.2
233.08049	34.6
234.08502	3.8
235.06047	12.0
239.09206	5.1
245.08086	33.7
247.05893	5.6
247.09862	5.4
248.08350	2.9
249.03981	10.7
251.09093	19.8
253.06934	3.8
259.09613	3.9
261.03885	25.8
263.09119	100.0
263.11777	5.3
264.09506	7.5
269.08014	4.9
279.05029	11.2
281.10165	25.5
287.09131	22.3
297.06006	19.3
305.10172	31.5
315.08447	4.4
317.10229	36.2
318.10638	3.9
329.10229	13.3
330.10968	10.1
347.11230	31.7
348.11362	4.0
365.12033	18.5
366.12680	3.1
383.14297	12.1
401.14078	17.1
402.14844	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	401.1571
Annotation	Asn Met His
Peak:m/z	Relative Intensity
67.21120	0.4
70.15076	1.5
79.05479	0.9
80.68304	0.4
91.05489	0.6
100.67516	0.4
107.04949	4.2
115.05412	0.5
118.12543	0.3
123.04426	0.7
130.61804	0.4
135.04356	0.4
137.05984	0.4
139.03888	0.5
153.01840	0.9
156.05673	0.4
158.78015	0.4
159.08072	0.8
161.05949	0.5
167.07019	3.2
181.04984	1.2
189.05287	1.1
204.07553	5.9
205.08299	0.6
217.08588	0.7
224.38467	0.4
248.08278	0.5
267.06482	0.4
268.06772	0.4
283.70447	0.4
295.09537	0.7
307.09650	0.4
315.08331	0.7
319.09586	0.6
324.17480	0.4
327.12173	0.8
330.10828	0.8
353.13510	0.5
383.14783	1.7
401.15683	100.0
402.15991	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	401.1569
Annotation	N-Monodesmethyldiltiazem
Peak:m/z	Relative Intensity
70.63255	1.6
78.67938	0.6
83.42375	0.6
86.04381	0.6
100.37842	0.6
112.63342	0.7
115.47574	0.6
120.14843	0.7
125.33134	0.6
126.70717	0.6
130.77179	0.6
139.03770	0.6
167.07039	0.8
189.05298	0.8
204.07571	4.3
205.08372	1.0
226.28088	0.7
397.51205	0.6
401.15683	100.0
402.16019	9.9
420.35016	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65115	1.8
70.43267	5.3
70.60815	1.8
78.04716	2.8
79.05485	18.2
81.68002	1.8
91.05440	8.5
95.04940	3.1
95.95509	1.8
103.05499	2.1
107.04940	34.7
107.99039	1.7
108.49850	2.2
112.95116	1.9
115.05477	5.2
116.06236	7.1
117.07032	4.3
121.33898	1.6
123.04439	6.4
124.05224	5.9
125.05997	2.3
128.06252	3.4
128.62263	1.6
129.07001	12.6
131.08554	11.5
132.05684	2.6
141.07007	5.3
144.05688	10.6
145.06508	4.8
152.04678	5.4
153.07036	1.7
156.05653	14.1
157.06509	6.2
158.07289	5.7
159.08060	15.4
160.08495	2.5
161.05956	3.0
163.03989	2.4
167.07028	95.6
168.07477	2.0
169.06412	3.2
169.07649	3.9
170.07137	2.6
172.05197	2.1
173.05962	3.5
175.07649	3.0
177.05388	2.0
181.08627	3.2
184.05199	4.0
186.06795	7.0
187.07474	8.8
189.06984	1.9
190.06247	2.2
190.07823	2.7
191.08531	5.8
193.06570	2.6
193.08527	2.2
195.06517	3.4
195.08104	2.0
196.05241	2.3
200.08145	2.3
201.09093	4.9
202.06216	2.2
202.07883	3.1
203.08638	2.1
204.05887	2.0
204.07742	3.5
205.06477	5.2
205.08620	9.3
206.07224	2.0
207.06429	4.1
207.08151	2.6
208.05176	20.3
208.08817	4.2
210.06755	2.5
211.07428	3.0
217.08548	19.7
218.07300	5.4
219.08055	20.5
219.10133	5.4
220.08801	10.0
221.05969	8.3
222.06642	3.6
229.08624	13.9
230.07213	3.3
231.08055	12.8
231.10127	3.4
232.08932	2.3
233.06021	4.1
233.09662	7.0
234.06755	5.5
235.07497	5.8
236.04681	4.7
236.08336	4.0
237.09045	3.0
239.07019	3.6
240.04068	2.0
244.08801	2.3
245.09651	5.9
246.06775	4.9
247.07492	17.1
247.09712	25.0
248.08247	15.3
249.05434	3.7
249.08992	6.1
250.06392	2.7
251.06801	2.7
251.10509	2.4
252.07735	2.4
253.08694	2.4
254.05801	6.5
255.06447	2.6
256.07394	2.0
259.07550	5.4
260.08231	3.1
261.09061	8.5
262.06091	2.3
262.09781	5.7
263.07098	5.6
263.10666	14.3
264.07791	11.9
264.10577	2.1
265.08533	8.3
267.06482	12.7
268.03650	2.3
269.08099	19.0
271.09705	7.8
272.06662	1.9
275.07095	7.4
276.07730	11.5
277.08624	5.9
278.05798	2.0
278.09415	2.6
279.06912	3.2
279.10153	12.6
281.08167	3.6
282.05542	4.0
282.08862	17.8
285.07599	2.5
289.08569	3.2
290.09332	7.8
291.06821	2.8
291.10117	20.8
292.07291	7.2
292.10620	3.8
293.08020	14.9
293.11273	3.1
299.09082	4.7
301.07013	2.4
304.07440	2.0
305.07999	2.6
307.06216	2.9
307.09586	19.8
308.10199	10.2
309.07727	3.0
309.11090	3.5
310.08261	8.5
311.12759	3.7
315.08566	44.0
316.09082	4.7
319.09476	10.5
320.10205	3.3
321.07663	5.6
321.11142	3.3
322.08386	3.0
322.11890	2.4
323.09280	3.0
323.12717	16.4
324.12961	2.8
328.09506	7.6
330.10925	58.0
331.11633	15.3
336.09891	6.0
337.10516	8.4
339.12292	8.9
340.13031	3.3
343.11722	20.6
344.12042	4.0
351.12228	36.0
352.12927	6.8
353.10135	10.1
356.12399	4.4
368.12335	13.7
369.13397	5.1
371.14941	4.7
383.14853	100.0
384.15128	9.4
401.15924	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	401.159
Annotation	Gomisin R
Peak:m/z	Relative Intensity
53.03945	3.0
55.01867	2.4
64.34266	1.8
65.03925	4.3
65.45948	1.8
66.04717	2.0
67.05515	2.6
69.03425	4.7
71.04990	2.8
76.42356	1.8
78.04713	2.7
79.05489	16.3
81.03394	3.3
81.07042	2.1
83.72013	1.7
85.02880	2.5
89.40627	2.2
91.05471	9.4
95.04980	7.1
95.08580	2.9
98.22611	6.0
103.05481	2.8
105.07040	4.1
107.04964	37.6
109.06515	2.5
115.05439	6.6
116.06178	2.6
117.07040	3.7
119.08609	3.6
121.02862	5.1
121.06524	3.3
123.04436	10.6
124.05215	9.0
125.05977	5.4
126.73974	1.8
128.06239	4.8
129.06984	9.8
131.04893	4.1
131.08588	8.7
133.02843	2.4
133.06551	3.4
135.04385	10.7
137.05995	5.1
139.03896	15.5
139.07611	2.3
141.06996	5.4
144.05693	8.2
145.06497	8.5
147.08002	2.0
151.03885	3.0
152.04643	4.4
153.01884	3.8
153.05455	3.1
154.66312	2.2
156.05705	14.1
157.06488	2.7
158.07420	2.4
159.08023	18.4
161.06033	9.7
163.03929	3.5
163.07605	2.5
165.07010	4.4
167.07039	100.0
167.08472	5.3
168.07425	2.5
169.06454	2.8
170.07263	4.6
171.04422	2.7
171.07993	2.2
173.06023	6.7
174.06680	3.3
175.07515	5.1
177.05554	2.6
177.09145	8.6
181.04988	7.1
181.06474	3.8
181.08565	4.4
183.06529	3.1
184.05127	2.7
185.06010	2.6
186.06795	3.8
187.07527	10.9
189.05516	3.5
189.07063	3.7
190.06235	4.4
190.07761	4.3
191.06978	4.1
191.08553	6.9
193.06535	3.1
193.08603	3.5
194.07277	2.0
195.06535	2.5
197.06081	2.4
201.09029	2.8
202.06166	5.4
202.07828	4.4
203.06903	4.5
203.08580	5.2
205.06567	4.2
205.08615	13.9
206.07310	3.2
207.06461	4.8
207.08186	4.9
208.05142	11.2
208.08676	4.5
209.05948	4.0
210.06787	2.7
211.07628	6.0
215.08580	4.3
217.08563	27.3
218.07274	7.5
218.09227	3.6
219.08031	19.8
219.10182	12.2
220.08844	5.6
221.05974	9.1
221.09682	3.2
222.06758	5.8
223.07561	3.2
224.04684	2.2
227.06798	2.7
228.83006	2.3
229.08655	7.1
230.07278	3.1
231.08040	12.8
231.10213	5.4
232.08786	3.8
233.06017	4.3
233.09622	8.2
234.06804	5.4
235.07585	6.0
235.11098	2.4
236.04662	2.2
236.08313	8.8
237.05630	2.4
237.09036	5.0
238.06374	2.5
239.07111	6.6
241.08676	2.9
245.09639	5.9
246.06784	4.2
247.07521	23.1
247.09726	10.2
248.08301	21.5
249.05527	7.5
249.09074	9.7
250.06305	3.9
250.09671	3.7
251.10652	4.3
252.07643	3.4
253.08405	3.0
254.05798	4.4
254.09174	2.8
255.06454	4.5
259.07443	4.9
260.08417	2.9
261.09119	11.3
262.06183	3.5
262.09900	7.8
263.06961	5.9
263.10745	11.2
264.07849	16.1
264.10648	2.9
265.08591	12.0
266.09146	2.7
267.06540	7.5
267.09946	2.8
268.03589	2.0
269.07999	9.6
270.08661	2.2
271.09695	8.8
275.07059	8.2
276.07785	9.8
277.05624	2.0
277.08591	12.0
278.05844	3.7
278.09280	4.7
279.06937	4.0
279.10165	15.7
280.07364	4.1
280.10431	3.0
281.08063	5.5
281.11780	2.5
282.08792	19.0
283.09515	3.7
284.06570	2.6
285.07520	3.2
289.08801	3.6
290.09467	5.4
291.06720	3.0
291.10132	23.7
292.07266	9.2
292.10632	4.4
293.08014	24.4
293.11252	3.4
294.08768	5.8
295.06088	2.6
295.09680	4.0
296.10419	2.3
297.07532	2.3
297.11212	3.7
298.08118	2.6
299.09125	17.2
300.09665	3.2
304.07300	3.5
305.08136	6.5
306.08728	4.1
307.06174	3.1
307.09494	22.0
308.10309	12.5
309.07639	3.8
309.11111	4.3
310.08377	8.0
311.09018	5.2
311.12851	7.6
313.10751	4.3
315.08627	31.8
316.09167	2.6
319.09552	12.0
321.07544	5.6
321.11200	5.2
322.08099	5.3
323.09186	5.9
323.12738	17.4
325.10657	6.2
327.12280	2.8
328.09662	4.3
330.10959	39.9
331.11588	13.8
336.09991	9.1
337.10571	13.1
338.11414	3.2
339.12296	17.9
343.11688	25.5
344.12216	4.2
351.12277	29.7
352.12711	7.0
353.09998	10.8
354.10843	3.7
355.11646	2.8
356.12500	2.6
357.13202	3.8
358.14063	28.0
368.12427	12.7
369.13333	20.9
370.13971	3.8
371.15021	8.8
373.16483	12.2
383.14847	86.5
384.15268	9.9
401.07837	4.1
401.16077	60.9
401.28714	5.7
402.16553	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	401.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	1.3
57.28617	1.1
59.72467	1.4
64.57404	1.3
67.92182	1.2
69.03445	1.7
69.24393	2.7
69.24797	7.2
79.05490	15.1
81.07017	1.5
91.05472	7.8
93.07035	1.3
95.04951	3.2
95.08642	1.8
96.02013	1.2
98.23383	1.5
103.05466	2.0
105.07050	2.9
106.04169	1.8
107.04958	27.2
115.05467	5.2
116.06223	3.6
117.07043	2.3
121.06465	2.3
123.04406	4.7
124.05202	4.7
125.05975	1.7
126.19142	1.4
128.06210	3.2
129.07027	11.4
130.07759	1.4
131.04906	2.0
131.08560	15.9
132.05717	2.4
135.04404	2.4
138.03192	1.3
141.06961	7.8
144.05708	10.4
145.06479	3.5
146.07170	1.8
147.04462	1.5
151.03925	4.1
152.04703	4.0
156.05710	14.3
157.06448	6.6
158.07253	4.3
159.08057	23.9
159.09308	2.1
161.05978	4.1
163.03842	2.5
165.05493	1.4
165.07028	1.7
165.09193	1.2
167.07037	53.2
168.07396	2.2
169.06488	3.4
169.07651	3.8
170.07275	2.3
171.04419	1.5
173.05988	3.8
173.09584	1.5
175.07516	2.0
177.05461	1.3
179.07066	3.1
179.08485	2.0
181.04958	2.2
181.06500	2.7
181.08601	2.0
182.07162	1.6
183.08148	1.2
184.05157	3.2
186.06781	9.4
187.07526	11.6
189.05405	1.6
189.06985	2.3
190.07826	4.3
191.06981	2.4
191.08571	4.8
192.09230	1.5
193.06476	2.2
194.07359	2.2
195.06598	3.4
200.08293	3.2
201.09116	4.3
202.06175	3.0
202.07799	3.3
203.06885	2.7
203.08594	3.4
204.07854	2.7
205.06476	4.3
205.08603	10.6
205.10133	1.4
206.07297	3.0
207.06525	4.2
207.08192	2.5
208.05179	6.0
208.08812	4.1
209.07880	1.7
209.09717	1.7
210.06743	2.9
211.07515	2.9
213.82411	1.2
215.06972	2.5
215.08727	1.6
217.08582	26.3
217.10431	2.2
218.07268	6.8
218.09171	2.3
219.08055	16.9
219.10150	3.4
220.08748	6.7
221.06030	7.4
221.09718	2.8
222.06590	2.4
223.07437	1.4
229.08627	12.7
230.07222	3.2
231.08069	7.7
231.10136	2.9
232.08885	3.7
233.06020	4.3
233.09567	8.0
234.06673	2.8
234.10266	2.7
235.07498	5.9
235.11230	2.7
236.08276	6.4
237.09038	3.9
238.06303	1.5
239.06998	3.4
244.08829	2.1
245.09515	2.9
246.06770	3.0
247.07468	17.5
247.09703	28.6
248.08289	16.4
249.05431	3.8
249.09001	4.3
250.06396	1.7
251.06987	3.6
251.10709	5.0
255.06248	2.0
256.07199	2.8
258.06772	2.0
259.07541	4.7
260.08255	2.9
261.05685	1.6
261.09100	7.7
262.06348	2.7
262.09848	4.9
263.07071	4.6
263.10675	11.7
264.07806	13.3
265.08575	7.8
266.05728	1.8
266.08957	1.3
267.06415	6.0
268.11072	1.6
269.08154	4.6
271.09656	8.4
273.08957	2.6
274.06342	1.8
275.07135	8.7
276.07819	10.7
277.05664	1.7
277.08517	8.7
278.05621	2.9
278.09198	1.6
279.06525	2.7
279.10141	14.1
280.11011	2.4
281.08063	4.1
282.05820	1.4
282.08856	7.2
287.06815	1.7
289.08496	3.0
290.09329	5.9
291.06897	2.3
291.10132	18.9
292.07288	6.6
292.10526	2.5
293.08105	12.2
294.08752	2.9
295.06351	2.1
295.09744	2.3
296.10483	2.3
299.09171	4.7
303.06595	2.6
304.07217	2.7
305.08124	6.2
305.11456	2.0
306.08795	3.4
307.06284	2.0
307.09579	20.5
308.07117	1.7
308.10370	8.3
309.07477	2.1
309.10965	2.0
310.08218	3.7
311.12735	3.9
315.08615	10.2
316.09296	1.9
318.08932	2.5
319.09546	14.2
320.10358	3.5
321.07541	5.3
321.11166	3.0
322.08231	3.3
322.11868	3.0
323.09222	2.4
323.12717	12.9
324.09821	1.5
324.13257	2.0
325.10809	2.9
326.11560	1.5
328.09427	2.0
330.10953	9.5
331.11804	8.6
332.12262	1.7
335.09171	3.1
336.09927	7.3
337.10715	11.2
338.07666	2.3
339.12280	9.1
340.12622	3.5
343.11618	8.5
344.12363	1.4
350.11267	3.2
351.12292	21.6
352.12820	5.7
353.10175	12.7
354.10608	1.9
356.12601	4.2
368.12564	16.7
369.13028	4.1
371.14941	3.2
383.14868	100.0
384.15381	9.1
400.80145	1.9
401.15918	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	401.159
Annotation	Gomisin R
Peak:m/z	Relative Intensity
53.03957	2.7
69.03437	3.7
70.06599	6.7
71.32815	2.7
75.47081	1.9
78.04710	3.3
79.05489	21.1
81.07060	3.1
85.02917	7.8
91.05447	10.6
93.07058	5.0
95.04977	4.8
97.02908	2.7
100.13548	1.8
103.05460	4.6
105.07089	3.4
105.51904	2.1
107.04953	41.1
107.18501	1.8
107.93058	2.1
109.06492	4.1
115.03936	4.5
115.05452	3.2
116.06269	4.2
117.07034	3.2
123.04451	9.2
124.05209	8.5
125.05986	3.1
127.03889	2.1
128.06238	3.8
129.07011	8.6
131.08591	10.6
133.06520	4.1
133.39326	1.8
137.05943	3.3
139.03912	4.5
141.07005	4.2
144.05705	7.5
145.06477	7.7
147.04407	3.0
149.06064	2.3
151.07585	2.8
152.04721	4.3
153.05460	2.5
155.06067	2.5
156.05705	12.7
157.06487	6.0
158.07294	3.6
159.08058	13.5
161.05992	5.6
163.03897	4.2
165.05515	3.0
165.07028	2.2
167.07033	97.6
168.07417	4.8
173.06023	6.9
174.06825	2.4
177.05511	2.8
177.09058	2.1
179.07091	4.0
181.04988	7.1
181.08553	3.1
184.05225	3.7
186.06776	5.5
187.07491	11.0
187.17767	2.0
189.05544	3.0
189.07086	2.4
190.06223	4.7
190.07806	3.8
191.06989	3.8
191.08549	5.1
195.06494	4.9
195.08160	4.1
201.09128	3.7
202.06136	3.5
202.07829	4.7
203.08629	4.8
204.07857	2.3
205.06523	5.7
205.08606	18.7
205.89616	2.2
206.07236	2.8
207.06517	7.3
207.08272	2.6
207.10150	2.4
208.05180	11.4
208.08708	3.9
210.06744	3.9
211.07582	3.8
217.08562	18.8
218.07248	6.7
218.09177	2.2
219.08115	19.5
219.10037	3.1
220.08772	8.5
221.06036	11.3
221.09505	3.2
223.07634	3.6
225.09035	2.1
225.68289	2.3
227.06946	2.3
229.08591	10.4
230.07294	3.2
231.08060	10.9
231.10068	2.7
232.08885	4.6
233.06082	2.3
233.09631	6.9
234.06825	6.0
234.10223	2.3
235.07556	5.4
236.04697	3.6
236.08286	8.0
237.09023	4.6
239.07074	4.1
245.09570	3.2
246.06648	3.2
247.07541	20.9
247.09744	12.7
248.08218	16.5
249.05525	4.9
249.09009	7.8
250.06302	5.1
251.07024	2.6
251.10739	4.7
253.08427	2.4
254.05696	5.9
259.07590	4.0
260.08292	4.4
261.05490	3.4
261.09134	10.5
262.09915	5.0
263.07077	3.0
263.10699	11.1
264.07672	13.2
265.08618	8.9
266.05594	2.3
267.06534	13.3
269.08063	15.6
271.09680	8.4
272.06635	2.3
275.07071	9.7
276.07828	13.5
277.05295	2.7
277.08563	7.9
278.05807	3.4
278.09164	3.0
279.06772	2.0
279.10107	13.5
281.08224	4.9
282.08844	17.3
283.09125	2.5
284.06677	3.2
285.07480	3.8
289.08569	2.5
290.09363	5.6
291.10098	23.4
292.07382	5.9
293.08090	15.7
294.08762	3.2
299.09222	5.6
301.07050	2.3
304.07196	3.0
305.08145	5.3
307.09543	18.7
308.10486	7.8
309.07574	2.7
309.11035	3.9
310.08344	7.9
311.12592	3.3
315.08652	37.9
316.09195	4.9
319.09662	16.1
321.07553	5.7
321.11072	3.4
322.11899	3.1
323.09256	4.2
323.12646	21.1
325.10818	3.6
328.09354	6.4
330.10980	42.4
331.11633	14.6
335.09308	3.8
336.09891	6.4
337.10623	8.8
339.12231	12.1
343.11700	23.3
350.11789	3.1
351.12247	28.4
352.12976	6.1
353.10062	10.4
356.12595	4.4
368.12430	16.7
369.13205	4.6
371.15039	6.6
383.14844	100.0
384.15237	7.5
401.11176	3.3
401.16516	30.9
402.16492	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	401.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41005	1.1
53.03944	3.6
55.01873	1.8
68.72260	1.2
69.03448	1.8
70.62318	1.6
70.62646	2.8
71.04981	1.4
78.04716	3.0
79.05491	17.2
81.03449	1.6
81.07059	1.9
81.41406	1.5
91.05489	7.9
93.07033	2.3
95.04980	4.9
95.08591	1.5
97.06618	1.4
100.86304	1.2
103.05479	1.7
105.03405	1.9
105.04520	1.9
105.07034	4.6
107.04952	38.4
115.05459	6.3
116.06252	4.3
117.07006	2.4
119.05036	1.3
121.06525	2.6
123.04425	5.5
124.05199	6.7
125.05982	2.2
128.06229	6.8
129.07002	8.8
131.04887	2.8
131.08598	11.1
132.05717	2.0
133.06496	1.5
133.10143	2.7
135.04404	1.9
137.05910	2.7
141.07034	5.8
141.63533	1.3
143.04880	1.7
144.05702	8.7
145.06505	4.7
146.03648	1.6
147.04399	1.6
149.05968	2.3
151.03914	2.1
152.04703	4.5
153.05492	3.3
156.05698	24.3
157.06427	4.4
158.07274	3.1
159.08067	17.0
161.06003	5.0
162.09914	1.6
163.03955	6.2
167.07045	100.0
168.07304	3.3
169.06458	3.6
169.07700	2.2
170.07280	1.7
172.05231	1.7
173.05997	3.5
174.03133	1.6
177.05539	2.5
179.06992	2.9
181.05009	3.0
181.08618	4.6
182.07225	1.4
183.06546	2.5
183.08037	2.0
184.05153	7.4
186.06804	2.9
187.07545	14.1
189.05502	1.7
189.07005	2.1
190.06299	3.2
190.07823	2.1
191.07031	2.0
191.08562	3.6
192.04254	1.8
193.08559	2.9
194.07272	1.7
194.92160	1.2
195.04694	1.3
195.06566	4.4
197.05951	1.6
201.08992	1.4
202.06259	9.6
202.07755	2.6
203.06862	1.5
203.08586	3.2
204.07628	1.5
205.06577	3.7
205.08621	19.9
205.10393	1.5
206.07260	1.3
206.09219	1.5
207.06502	10.8
207.08214	1.9
207.10062	2.7
208.05235	10.7
208.08788	3.0
209.06123	1.9
209.08081	3.5
210.06792	5.6
211.07588	4.0
215.08682	2.6
217.06612	2.1
217.08597	65.2
218.07281	4.1
218.09033	3.4
219.08043	12.6
219.10201	8.5
220.08794	6.3
221.06053	3.2
221.09700	2.8
222.06458	1.7
225.05551	1.6
225.08943	1.9
229.08646	5.4
230.07262	2.0
231.08017	7.9
231.10124	2.6
232.08891	3.9
233.05937	2.9
233.09668	5.6
234.06725	2.6
235.07573	3.8
236.04762	2.8
236.08347	3.8
237.09119	2.5
238.06252	3.9
239.06979	2.9
241.04932	1.8
241.08528	2.4
245.09637	3.5
246.06749	2.8
247.07500	13.5
247.09718	19.3
248.08188	11.7
249.05473	2.6
249.09094	4.4
250.06383	2.9
251.06967	1.7
251.10625	3.0
254.05823	2.4
255.06367	2.8
256.07413	3.7
259.07541	4.0
260.08334	2.5
261.09198	4.9
262.06223	1.9
262.09851	4.5
263.07104	3.9
263.10684	8.6
264.07806	7.5
265.08655	6.7
266.05695	2.4
266.09387	1.6
267.06573	4.2
269.08115	10.0
271.09683	13.3
272.06778	3.0
273.09155	1.7
275.07068	4.7
276.07858	8.4
277.08594	4.7
278.05829	1.9
278.09045	1.9
279.06943	1.9
279.10095	6.5
280.10934	3.0
281.08072	2.4
281.11539	2.4
282.05853	1.9
282.08801	9.3
284.07013	2.3
285.07468	3.1
287.09085	1.9
289.08554	2.3
290.09390	5.4
291.10141	17.7
292.07388	3.0
292.10535	1.7
293.08136	10.7
293.11276	2.1
294.08826	2.1
295.09589	1.8
296.10492	3.3
297.07510	1.6
299.06116	1.9
299.09045	8.3
300.06250	2.6
301.07095	4.7
305.11615	2.2
306.09015	1.8
307.09641	12.2
308.07187	1.5
308.10468	7.1
309.07663	2.2
309.11127	3.0
310.08420	2.9
311.12711	3.8
315.08612	27.7
316.09320	5.7
319.09634	8.1
320.10422	2.3
321.07651	4.0
321.11221	2.1
322.08411	2.1
322.11887	2.7
323.12769	17.0
324.13126	2.4
325.10684	2.7
330.10986	28.3
331.11752	22.6
335.09061	3.4
336.09930	5.5
337.10587	7.4
339.12338	7.5
341.13788	1.9
343.08197	1.6
343.11713	9.0
351.12250	27.4
352.12936	6.2
353.10162	6.1
356.12512	4.3
368.12469	9.7
371.15051	5.4
383.14914	43.4
384.15231	5.4
401.16080	20.5
401.21268	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	401.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83573	1.2
53.03934	2.9
67.05496	1.3
67.75300	1.2
69.03413	2.6
69.21031	11.6
71.37437	1.1
78.04704	2.2
79.05489	21.7
81.07060	1.6
91.05492	11.2
93.07038	1.8
95.04991	3.4
98.23367	2.5
103.05471	2.8
105.04475	1.4
105.07018	3.3
106.04128	1.9
107.04950	42.4
107.05664	2.3
108.05267	2.0
111.08133	1.4
115.05455	6.8
116.06245	4.1
117.07027	4.3
121.06458	1.5
123.04413	8.1
124.05216	7.9
125.05991	2.2
128.06230	3.0
129.06995	11.2
131.04906	2.7
131.08566	12.7
132.05785	1.9
132.08894	1.6
133.06483	1.4
137.05989	1.9
141.06960	7.2
143.08641	1.8
144.05690	10.4
145.06462	7.6
147.04405	2.1
149.06009	2.8
151.03943	3.0
152.04695	3.8
153.05453	1.4
155.06021	1.8
156.05708	13.7
157.06477	5.7
158.07259	4.5
159.08040	21.9
161.05966	4.2
163.03934	2.2
165.07014	2.7
167.07033	100.0
168.05698	1.6
168.07346	2.6
169.06485	4.0
169.07681	1.8
172.05083	1.9
173.05981	4.4
175.07584	2.4
179.03413	1.3
179.07088	3.1
179.08533	1.9
181.05064	2.8
181.06522	2.1
181.08626	3.0
184.05182	2.0
185.05949	1.4
186.06772	8.9
187.07538	14.4
189.05426	1.8
189.06966	3.3
189.09119	1.9
190.06262	2.3
190.07806	4.2
191.07014	2.2
191.08594	5.4
193.06442	2.3
193.89984	1.4
194.07187	1.9
195.06535	2.7
201.09123	3.4
202.06198	4.5
202.07823	4.0
203.06854	1.9
203.08557	4.7
204.07567	2.9
205.06517	4.5
205.08607	13.2
205.10052	1.6
206.07227	2.8
207.04825	1.5
207.06491	4.9
207.08109	4.3
208.05171	17.1
208.08846	4.8
209.05939	2.9
209.07912	2.6
209.09744	1.9
210.06752	2.3
211.07549	3.4
214.06204	2.2
215.08675	3.1
217.06606	1.4
217.08566	24.1
218.07175	7.6
219.08058	20.8
219.10197	5.0
220.08774	9.4
221.05980	9.7
223.07570	2.1
223.11284	2.2
229.08701	12.3
230.07352	4.9
231.08051	12.3
231.10078	2.6
232.08882	3.0
233.05991	2.8
233.09659	8.9
234.06705	3.4
234.10246	2.9
235.07513	6.2
235.11237	2.1
236.04683	4.3
236.08232	6.9
237.08951	3.0
238.06303	4.9
239.07057	4.7
239.12753	2.7
240.04163	2.3
241.08539	1.8
244.08949	2.0
245.09631	4.8
246.06703	2.7
247.07501	19.5
247.09711	20.8
248.08281	18.7
249.05426	6.0
249.09081	6.1
250.06415	3.1
251.07167	2.3
251.10641	3.6
253.08533	1.7
254.05717	8.0
255.06438	2.8
256.07306	2.6
257.04623	1.7
258.06723	1.6
259.07553	5.2
260.08295	3.2
261.09033	8.7
262.06274	3.7
262.09860	7.1
263.07077	6.0
263.10675	15.8
264.07843	12.9
265.08508	10.3
266.05899	2.5
266.09204	3.1
267.06467	10.9
268.03903	1.7
268.06882	1.8
268.11026	1.6
269.08066	12.5
270.08524	1.4
271.09625	8.6
272.06625	2.9
273.09116	2.4
274.06339	1.6
275.07013	9.8
276.02655	2.0
276.07779	12.9
277.05124	2.7
277.08493	10.3
278.05734	3.0
278.09109	2.8
279.06705	3.8
279.10184	17.1
280.07544	1.9
280.10635	2.9
281.08142	3.6
282.08804	16.8
283.05997	1.9
284.06732	2.0
285.07736	2.9
289.08606	4.0
290.06369	1.7
290.09167	7.7
291.10101	23.1
292.07303	7.9
292.10791	4.1
293.08032	19.8
293.11285	1.6
294.08762	3.9
295.05948	2.2
296.10526	3.1
299.09155	5.3
300.06317	2.7
300.09576	2.0
301.07092	3.1
304.07358	3.3
305.08017	4.1
305.11426	2.5
306.00235	1.5
306.08810	3.0
307.06171	1.8
307.09592	17.5
308.10361	9.8
309.11044	2.7
310.08313	9.7
311.09058	2.1
311.12851	3.5
313.06848	1.5
313.10434	1.4
315.08582	45.9
316.09094	4.9
318.08795	1.9
319.09650	11.6
320.10272	1.9
321.07434	4.3
321.11127	3.2
322.08310	3.9
322.11792	3.1
323.09088	4.3
323.12778	20.4
325.10678	4.1
326.11359	1.9
327.08447	2.1
328.09439	6.0
330.10953	40.9
331.11600	14.3
335.09009	2.1
336.09927	8.0
337.10620	10.3
338.07620	2.6
339.12210	11.3
340.12689	2.0
343.11700	21.8
344.12283	2.2
350.11432	3.2
351.12228	30.9
352.12924	6.2
353.10129	11.7
356.12524	4.1
368.12506	15.7
369.13000	4.3
371.14893	4.6
383.14865	92.6
384.15259	8.0
401.16052	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55470	1.8
53.03946	2.0
55.75237	1.7
58.98304	1.6
65.19875	1.8
66.01652	1.8
68.61575	1.9
69.12071	9.5
69.12499	7.5
71.18254	1.6
78.04684	2.0
79.05505	13.7
81.07052	2.1
85.02911	2.3
91.05474	6.8
95.04968	2.7
98.22495	3.6
105.07043	2.4
107.04949	35.3
115.05462	5.4
117.07007	3.6
121.06516	2.4
123.04447	4.3
124.05252	3.6
125.05957	2.0
128.06267	2.3
129.07036	6.1
131.04933	2.4
131.08606	5.7
132.05754	2.1
137.06013	2.8
141.06998	3.4
144.05695	6.2
145.06502	5.1
147.04420	1.8
151.07593	2.2
152.04654	5.4
156.05693	9.3
157.06541	2.7
159.08070	13.9
161.05940	4.2
163.03920	2.2
167.07031	100.0
168.07399	4.2
169.06413	4.5
169.07649	2.7
173.06035	5.1
179.07010	2.9
181.08585	4.0
184.05145	2.4
186.06723	4.3
187.07549	7.9
189.07045	2.6
191.07008	3.9
191.08569	4.0
193.08525	2.5
195.06494	2.9
201.09114	2.8
202.06183	3.3
202.07848	3.0
203.08554	3.3
205.06607	4.1
205.08586	16.6
205.10146	2.1
207.06503	5.6
208.05247	10.2
208.08885	2.3
210.06783	3.7
211.07330	4.0
217.08560	18.5
218.07246	5.5
219.08044	15.5
219.10146	5.0
220.08852	7.8
221.06000	11.2
221.09676	3.3
222.06952	2.1
229.08640	8.0
231.08006	9.4
231.10135	3.8
232.08859	2.2
233.09657	5.4
234.06796	3.0
234.10323	3.9
235.07445	4.7
236.04546	2.4
236.08264	4.8
237.05431	2.3
237.09070	4.5
238.06345	4.5
239.07065	2.3
245.09668	4.4
246.06795	3.5
247.07460	17.3
247.09596	14.7
248.08203	13.8
249.05511	3.7
249.08977	4.8
251.10689	3.9
254.05734	5.0
255.06641	3.1
256.07291	2.4
259.07562	5.0
260.08182	3.3
261.09076	5.2
262.06271	3.4
262.09888	5.0
263.07272	3.1
263.10675	13.1
264.07675	10.2
265.08609	9.0
266.05673	3.7
267.06473	9.3
267.09708	2.0
268.26855	2.5
269.08194	10.0
271.09680	7.7
272.06662	2.5
275.06998	7.8
276.07727	10.6
277.08582	7.2
278.05853	2.7
279.10098	10.3
280.07422	2.3
281.08139	2.4
282.08826	16.5
289.08755	3.0
290.09274	3.3
291.07013	3.5
291.10104	16.1
292.07281	4.3
292.10678	3.7
293.08069	14.8
294.08722	3.6
295.05725	2.2
296.10440	1.9
297.11041	2.0
299.09167	6.8
300.09756	2.6
301.07147	2.6
305.08185	3.5
307.09583	13.8
308.10489	8.8
309.07718	2.8
309.11063	2.6
310.08325	8.2
311.09155	2.9
311.12686	3.8
313.10855	2.6
315.08557	27.8
316.09167	5.2
319.09613	12.1
320.10522	2.6
321.07535	6.1
321.11020	3.1
323.12750	14.6
324.09903	2.5
325.10834	2.6
328.09387	6.1
330.10959	34.7
331.11740	17.3
335.08987	2.9
336.09882	5.7
337.10721	5.6
339.12296	12.2
340.12820	2.0
343.11761	24.5
350.11423	2.8
351.12231	24.2
352.12875	5.3
353.10168	7.3
354.10818	2.1
356.12598	4.7
368.12527	13.0
369.13089	4.0
371.14822	7.3
383.14880	84.8
384.15207	7.9
401.15948	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	401.1586
Annotation	(+)-Epiaschantin
Peak:m/z	Relative Intensity
53.03951	3.7
64.81643	2.8
65.15379	2.9
65.51739	3.1
66.75247	2.8
67.05505	4.8
69.36562	19.6
78.10170	2.6
79.05498	9.1
81.07065	4.5
89.16661	2.8
91.05501	7.6
93.07025	4.3
95.08631	5.0
105.07008	6.2
107.04954	6.1
109.06532	3.2
119.08571	5.6
121.06523	5.4
123.04403	8.9
124.05157	3.0
129.07043	3.3
131.08562	6.0
133.06429	4.0
137.06070	3.4
137.09592	3.2
139.86670	2.8
140.37306	2.9
144.05664	4.4
145.06482	7.8
145.10107	3.8
151.03857	5.2
159.08075	5.3
159.11606	3.1
161.05956	5.5
163.07552	8.1
167.07042	100.0
167.08487	5.8
175.07576	8.3
177.05513	4.4
181.04970	8.6
183.56372	3.0
187.07570	3.4
191.07066	9.3
193.08482	4.7
205.08578	7.9
206.05569	7.6
208.32611	3.3
217.08466	6.3
219.08032	4.4
247.09695	6.7
269.08081	3.5
279.10107	4.8
291.10056	3.6
315.08749	3.7
323.12671	5.9
329.10162	4.4
351.12039	5.8
369.12845	4.4
383.14844	13.6
401.15784	82.4
401.23340	9.1
401.28812	3.3
402.15982	11.8
402.33347	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	401.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.8
55.05503	2.6
59.04982	1.0
63.84341	0.8
65.03944	1.6
67.03425	1.0
67.05504	4.6
69.07064	2.6
71.04992	17.3
71.32735	1.5
79.05486	6.2
81.07044	7.0
83.05017	1.1
83.08608	1.8
91.05476	18.8
92.33224	1.0
93.07040	4.0
94.04190	4.1
95.04967	5.1
95.08609	5.3
97.02847	1.2
103.05469	3.7
105.06996	5.9
107.04958	11.0
107.08563	4.7
107.71944	0.9
109.02892	1.7
109.06506	4.2
109.10163	2.7
111.04430	1.2
115.05479	2.2
116.06226	0.9
117.07012	3.2
119.04908	8.2
119.08593	4.0
120.05257	1.0
121.06510	2.9
121.10155	3.7
122.03635	6.2
123.08057	1.9
123.11667	1.7
125.05998	1.2
128.06233	5.0
129.07011	20.8
131.04959	3.0
131.08572	3.4
133.06494	1.6
133.10132	3.2
135.04359	1.3
135.08092	1.8
135.11699	2.8
136.05246	1.5
137.05972	100.0
138.06322	3.6
139.07584	2.0
141.06908	1.1
143.04964	1.1
143.08560	1.8
144.05663	1.3
145.06502	2.9
145.10117	3.3
146.03629	1.9
147.08070	1.9
147.11711	2.3
149.05977	2.6
149.13223	1.6
151.03941	4.8
151.07530	57.0
152.06258	1.1
152.07880	2.3
153.06958	1.7
155.08569	1.6
156.05737	1.1
157.06477	18.4
159.08060	1.2
159.11711	1.9
161.05972	8.9
161.09567	5.7
161.13295	1.3
163.07535	11.4
163.11133	1.0
165.05505	2.4
165.06966	15.1
165.09134	2.3
166.07564	1.8
167.07025	1.6
167.08562	2.0
169.06535	1.4
169.10159	1.3
173.13258	1.4
174.06744	9.1
175.07539	11.0
175.14825	1.1
177.09096	2.3
178.07745	7.5
178.09009	0.8
179.08525	1.8
181.05115	1.1
181.06427	4.3
182.07214	5.0
183.07986	1.2
187.14699	1.1
189.09099	52.2
190.09518	2.5
191.08629	2.0
191.10576	1.3
192.09354	2.6
193.06493	9.9
193.08366	1.7
193.10143	13.9
195.06514	3.0
195.08105	2.4
197.06033	2.6
197.09604	2.1
197.13203	1.2
199.07602	1.6
202.07874	2.7
203.08528	3.2
206.07234	1.4
207.08081	1.8
209.05901	2.7
210.06755	9.6
210.10506	1.0
211.07417	2.8
212.08292	2.3
219.08232	2.0
220.08867	2.4
221.05986	14.2
221.09566	17.1
221.11584	1.2
222.06601	1.2
222.10060	2.1
223.07533	2.2
224.08316	6.1
225.09128	10.2
226.09506	1.6
227.07040	3.8
227.10672	1.1
231.08083	1.7
235.07437	2.4
235.11272	1.5
237.05415	1.1
237.09035	1.2
238.06241	3.2
238.09911	2.4
239.07005	2.8
239.10696	2.3
240.07759	1.2
241.08496	1.2
242.09328	1.4
248.08318	1.6
249.09119	9.2
250.09694	2.4
252.07848	4.1
253.08650	11.6
253.12253	35.3
254.09087	1.6
254.12556	2.9
255.06534	2.0
257.08054	1.0
263.10666	1.9
266.09344	1.7
267.10162	10.1
269.08081	3.2
270.08716	2.1
272.10443	3.8
281.11707	19.1
282.12317	2.5
284.10602	1.5
285.11200	40.5
286.11670	1.9
287.12894	1.3
313.14322	37.8
314.14749	3.7
331.15234	1.3
341.10406	1.4
355.18790	3.1
365.17050	2.1
383.18326	5.5
383.29431	1.8
401.11896	1.3
401.19376	12.4
401.30695	6.1
402.19699	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.1
53.37812	0.9
55.01874	1.8
55.05506	2.9
58.36967	1.0
65.03941	1.9
67.05488	4.6
69.03429	1.0
69.07062	3.8
69.88808	3.6
70.64957	1.1
71.01398	0.8
71.04991	18.3
71.05364	1.9
73.02296	0.9
77.03949	1.0
79.05489	7.4
81.07040	7.5
83.04970	1.8
83.08617	2.1
85.06552	1.2
91.05474	20.1
93.07043	6.5
94.04195	3.5
95.04941	5.0
95.08598	5.6
97.06526	1.6
98.22057	1.0
103.05452	4.1
105.07042	4.5
107.04952	11.9
107.08576	5.3
109.06513	4.2
109.10155	3.2
111.04431	1.4
111.08078	1.6
115.05482	2.7
117.07026	2.1
119.04958	11.2
119.08586	3.2
121.06535	3.2
121.09397	0.9
121.10072	4.9
122.03625	6.7
123.04462	1.4
125.09612	2.1
128.06232	6.0
129.06992	18.5
131.04892	5.2
131.08549	4.3
133.06470	2.5
133.10068	1.8
135.08044	3.6
135.11693	2.8
136.05151	1.1
137.05965	100.0
138.06313	3.1
142.68224	1.1
143.04964	1.3
143.08537	2.0
145.06473	2.6
145.10114	1.5
146.03658	2.7
147.11639	1.4
149.05972	3.9
151.03944	5.3
151.07532	62.7
152.07901	2.5
154.07835	1.2
157.06480	19.8
157.10129	1.7
158.06917	1.1
159.08064	1.6
159.11714	1.0
160.05209	1.2
161.05963	9.1
161.09607	5.8
163.07533	13.1
163.11206	2.2
165.05568	1.1
165.06987	15.6
165.09140	2.4
166.07666	1.0
167.07094	1.5
167.08580	2.7
169.06444	1.4
171.08025	1.3
173.09705	1.6
174.06798	8.1
175.07562	10.1
176.08031	0.9
177.07094	1.6
177.09096	1.4
178.07744	8.7
179.08519	3.3
181.06503	3.6
182.07269	5.7
185.09567	1.0
187.07617	1.2
189.09094	63.3
190.09477	3.6
191.08543	2.2
191.10616	2.2
192.09381	3.3
193.06497	11.7
193.08546	2.2
193.10106	10.0
194.07150	1.3
195.08075	2.5
196.05159	1.0
196.08841	2.3
197.05989	3.3
197.09639	3.9
199.07510	1.7
202.07838	2.7
203.08583	3.9
206.07254	2.5
207.08093	2.6
207.11636	1.2
209.06053	2.9
210.06746	12.2
210.10265	1.1
211.07544	4.1
217.29095	1.2
219.08127	2.3
220.08826	2.7
221.05989	15.6
221.09531	19.3
221.11543	1.8
222.10121	1.9
223.07642	1.7
224.08264	6.0
225.05563	1.3
225.09035	11.5
227.07089	3.0
227.12761	1.9
231.08098	1.4
234.06717	1.7
235.07524	1.9
237.05498	1.3
237.09015	1.8
238.06322	4.6
238.09859	2.3
239.06960	2.5
239.10699	3.6
241.08569	1.3
242.09494	1.0
245.13956	1.2
247.21246	0.9
248.08563	1.2
249.09082	10.9
250.09744	2.7
252.07899	4.0
253.08597	13.9
253.12245	40.2
254.12697	2.4
255.06506	3.3
265.08524	1.2
266.09454	1.9
267.10138	11.6
269.08099	4.8
270.08865	2.8
271.09561	1.0
272.10391	4.8
281.11703	20.9
282.12253	2.1
284.10510	2.1
285.11179	34.4
286.11533	3.4
287.12781	1.7
313.10620	2.0
313.14301	43.3
314.14752	3.9
331.15543	1.4
401.19293	4.5
401.26419	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	401.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.5
55.01873	8.1
55.05510	76.1
56.05844	1.3
57.87904	0.7
59.04992	1.5
62.22482	0.7
67.05508	11.4
69.03442	4.6
69.06700	1.4
69.07066	25.6
69.28253	5.7
76.78790	0.8
79.05493	12.5
81.07055	9.2
83.04961	2.7
83.08616	100.0
84.08937	2.1
85.06525	1.5
87.08094	2.9
91.05483	4.3
93.07037	7.9
95.04965	1.8
95.08597	3.3
97.06519	2.1
97.10165	45.9
98.10439	0.7
105.07030	2.3
107.04958	1.5
107.08595	10.3
109.06536	0.9
109.10146	2.1
111.07300	1.7
111.08072	25.0
112.08338	0.9
112.39457	0.7
117.07001	1.2
119.08566	1.9
121.06483	2.6
121.10146	1.1
125.09627	41.0
126.09992	1.0
129.09100	4.4
133.10046	0.8
135.08032	3.5
135.11674	0.9
137.05994	1.0
139.07527	4.9
139.11244	0.8
143.10648	1.9
145.10123	0.8
147.11711	0.7
148.80013	0.7
153.09073	3.0
157.08612	8.3
159.08063	1.1
159.11696	1.0
167.07039	2.3
171.10150	1.9
173.06102	0.9
175.09653	36.6
176.10017	1.7
181.04915	1.7
189.11217	34.0
190.11639	1.8
212.66519	0.8
213.11211	10.5
214.11601	0.9
219.10046	1.0
227.12770	13.1
231.12198	1.4
245.13821	1.6
383.20615	5.5
401.16162	1.5
401.21671	37.1
402.22116	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	401.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	9.1
55.01871	8.4
55.05517	16.8
57.03439	16.4
63.92691	6.7
67.05500	37.3
69.03432	24.9
69.07063	41.7
71.04996	29.6
71.31715	11.9
79.05499	42.6
81.03422	12.3
81.07055	100.0
83.04961	11.8
83.08620	15.8
83.39531	6.7
83.63537	6.4
85.02895	42.2
85.06542	21.8
91.05505	36.4
93.07047	58.0
95.04973	20.8
95.08601	86.8
97.02884	19.3
97.06541	16.1
97.10193	11.3
99.08083	9.8
103.05520	9.4
105.07046	60.3
107.04955	22.3
107.08592	70.9
109.02895	15.1
109.06523	9.3
109.10150	61.0
111.04379	8.1
111.08086	11.6
115.05461	8.1
115.07592	10.7
116.17564	6.7
117.07036	9.9
119.08592	78.3
121.06446	7.7
121.10148	58.8
122.10525	8.6
123.04464	10.6
123.08037	10.7
123.11693	28.9
125.06053	7.3
125.09612	13.0
127.11202	8.6
129.06992	9.7
131.04832	8.8
131.08577	18.5
133.10130	57.6
135.08095	14.5
135.11702	59.8
137.06027	16.2
137.13228	14.7
142.02437	7.8
143.08578	15.1
145.06483	10.5
145.10124	21.2
147.11681	41.9
149.05928	9.4
149.13283	17.7
151.03883	23.7
151.07524	9.0
151.11223	7.9
157.06522	12.7
157.10144	19.6
159.08075	12.6
159.11725	22.6
161.05945	9.7
161.13327	19.6
163.07562	23.8
163.14815	12.9
165.12643	7.6
167.07080	50.7
171.08057	10.5
171.11674	9.8
173.13255	10.9
174.06995	10.2
175.07561	11.1
175.11150	8.8
175.14801	12.3
177.16467	12.8
181.08559	8.5
183.11786	8.5
191.07030	11.5
197.13332	7.8
199.14857	7.7
201.09044	8.1
201.12778	7.2
203.17964	48.2
207.11736	8.7
207.48230	6.9
217.08617	10.7
221.18982	67.8
231.17596	9.0
233.18939	8.6
239.19945	8.4
279.10126	9.3
279.15936	7.8
281.77551	8.5
313.10678	19.6
330.11053	8.8
351.12167	13.9
355.15469	16.4
373.12985	8.5
383.14670	24.5
383.19000	15.1
383.24130	16.4
401.15833	24.9
401.30511	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	401.2532
Annotation	(2'S,3'S,6'R,8'R)-Homononactoyl-(2R,3R,6S,S)-nonactic acid
Peak:m/z	Relative Intensity
53.03933	2.1
55.01859	7.0
55.05510	16.5
57.03418	3.9
57.07049	2.1
60.61924	1.3
61.51158	1.3
65.03921	2.6
67.05505	29.5
69.03413	4.2
69.07068	32.1
69.62884	7.1
71.01357	1.8
71.04990	8.4
79.05048	2.9
79.05489	44.2
81.03421	2.9
81.07053	42.3
83.04988	10.8
83.08619	5.5
85.02908	1.6
85.06525	2.3
89.96911	1.5
91.05476	22.5
93.06448	3.5
93.07041	63.7
94.07294	1.8
95.04985	8.0
95.08604	30.8
97.02882	1.6
97.06529	15.2
97.10180	8.4
98.22654	2.8
99.04446	2.5
105.07048	10.3
107.04951	23.9
107.08592	25.2
109.06502	3.9
109.10143	5.5
111.04424	5.7
111.08081	2.7
111.11698	7.1
117.07034	9.8
119.08571	17.8
121.06532	9.8
121.10138	78.3
122.10461	4.0
123.08045	2.4
125.05979	4.2
125.09615	4.3
129.05423	1.8
129.06987	4.6
130.07730	1.5
131.04837	1.8
131.08551	12.4
133.10109	5.6
135.08093	3.1
135.11691	43.2
135.43575	1.4
137.05960	3.4
137.09578	2.8
139.07602	2.9
139.10156	2.9
139.11182	34.0
140.11505	1.8
143.08607	2.5
145.06458	3.5
145.10123	36.7
146.10461	2.0
147.08037	1.9
147.11705	4.6
149.09570	13.2
149.13258	3.2
153.09041	1.8
155.08510	3.6
157.12216	2.8
159.04398	1.6
159.11674	2.9
161.09647	2.7
163.11176	56.9
165.05403	2.3
165.58270	1.5
170.56688	1.5
173.09596	18.6
181.12231	13.8
183.35722	1.4
185.11688	7.5
189.11191	5.4
191.10672	26.3
192.11021	2.1
195.06462	2.3
203.12817	2.0
209.11740	11.1
227.12767	100.0
228.13135	6.1
245.13823	68.7
246.14088	3.9
301.21640	2.9
311.20038	3.1
319.22668	2.8
323.22061	2.2
329.21063	11.0
347.22168	18.7
365.23230	30.7
366.23624	3.8
383.14761	2.4
383.24402	14.5
388.10672	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	22.9
55.05513	49.9
57.03427	18.1
58.48189	17.7
60.91641	16.8
67.05502	50.6
69.03417	26.5
69.07072	32.9
70.85120	26.7
71.05005	31.9
79.05506	25.5
81.03432	21.4
81.07070	83.6
81.10541	16.8
83.04985	21.0
83.08614	32.5
85.02918	69.8
91.05476	24.4
93.06523	17.0
93.07047	72.5
95.08611	100.0
99.08164	15.5
103.03970	16.9
105.07046	45.7
107.08607	94.6
109.10155	68.2
119.08584	62.6
121.10135	44.3
123.11710	68.8
133.10159	64.4
135.11694	71.5
137.13309	23.9
143.10666	16.3
145.10130	22.9
147.11682	44.0
149.13319	24.7
157.10187	21.0
159.11720	24.4
167.07088	20.5
171.11639	18.5
196.47189	16.1
200.63596	16.7
201.16583	20.9
203.17958	24.2
205.19562	23.3
221.39793	15.2
228.22092	15.3
279.37219	15.3
312.80096	14.6
383.14801	21.7
386.01498	15.5
418.68024	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	401.2689
Annotation	16alpha,17-Isopropylidenedioxy-6alpha-methylprogesterone
Peak:m/z	Relative Intensity
53.03933	1.8
54.23605	1.0
54.72517	0.9
55.05517	5.2
57.07071	6.5
63.55364	0.9
67.05501	7.6
69.03448	5.1
69.07068	7.0
70.06584	1.1
71.05001	5.1
71.08635	2.7
71.31276	1.6
71.31638	1.3
79.05496	24.0
81.03414	2.7
81.07058	11.3
81.43991	0.9
82.33502	0.9
83.08605	3.1
85.02890	1.9
85.10178	1.9
88.07623	1.9
91.05485	9.8
93.07047	39.8
94.07352	1.9
95.04959	4.2
95.08115	1.3
95.08620	12.3
97.06530	2.4
97.10146	1.2
105.07014	8.0
107.04930	1.4
107.08596	35.9
109.02876	1.4
109.06549	1.7
109.10161	10.4
111.08071	1.3
111.11633	1.0
117.06989	1.7
119.08582	11.1
121.06538	1.8
121.10127	10.7
123.08078	2.4
123.11691	2.6
125.06009	6.6
125.09631	2.4
127.03890	1.2
129.06982	2.1
131.08534	3.8
133.10146	7.7
135.04341	1.3
135.11693	54.2
136.12051	1.8
137.06007	1.6
137.09529	2.0
137.13217	1.8
139.11191	2.3
142.82747	0.9
143.08623	1.3
145.10152	5.0
147.11658	2.0
149.09621	4.8
149.13232	1.2
151.07541	1.1
151.11157	2.2
157.10136	2.4
159.08034	1.2
159.11708	1.7
161.09650	1.6
163.11200	2.1
167.10657	1.3
169.10185	1.5
173.09660	2.0
173.13249	1.7
177.09082	4.9
177.12772	1.3
179.14397	1.0
180.40149	0.9
191.10678	3.0
191.14304	1.3
193.12315	1.4
195.10199	3.1
201.12889	1.3
203.14284	1.4
205.08545	1.1
205.12234	1.4
211.14804	1.2
215.14349	2.1
219.13811	1.8
228.11444	2.1
233.15356	3.9
243.13768	3.9
249.14819	1.4
253.12132	1.2
261.14932	9.0
263.16443	2.9
265.14377	10.9
267.16061	2.2
275.16333	1.3
279.15970	2.5
281.11679	0.9
281.19159	1.0
285.11319	1.9
289.17984	1.8
313.21649	3.5
314.62677	1.1
327.19559	2.6
331.22589	3.7
340.35638	1.8
341.21002	1.8
381.14764	1.2
383.25745	21.0
384.26215	2.7
401.26825	100.0
402.27158	12.2
402.39200	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	401.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	52.0
57.07066	13.9
67.05501	77.3
69.07061	50.3
70.06584	18.3
71.05015	7.7
71.08623	9.3
71.33857	7.6
78.17108	6.8
79.05484	59.3
81.07049	100.0
83.08612	36.2
85.06541	10.0
88.07623	19.6
91.05489	40.7
93.07048	79.2
95.04931	7.6
95.08601	70.9
97.06517	14.2
97.10176	11.4
99.24786	8.1
102.09190	11.8
105.07034	30.2
107.08575	52.6
109.10156	43.1
111.08071	14.9
119.08575	33.3
121.10146	85.6
123.08075	12.2
123.11667	12.0
123.60385	7.6
125.09553	7.9
131.08553	10.2
133.10132	30.8
135.11717	50.1
137.09686	11.2
145.10124	19.3
147.11682	25.5
149.13258	19.1
159.11644	17.5
161.13196	17.1
163.14758	14.7
165.12869	8.3
171.11664	9.3
175.14871	7.8
201.16576	7.2
241.94220	7.6
252.84596	7.0
277.21655	70.7
309.24158	11.1
339.34494	19.2
339.86743	7.6
351.25241	35.0
369.26379	11.2
383.27957	59.6
401.26474	8.6
401.34225	10.9
401.38333	76.8
402.38846	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	401.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.5
55.05506	60.5
57.07069	16.7
67.05508	15.3
68.85628	2.8
69.07066	48.4
69.91404	13.2
70.06591	7.9
71.08629	11.1
79.05505	8.5
81.07054	30.6
83.08616	100.0
84.61507	2.6
85.10148	5.5
85.51405	2.8
88.07650	9.1
91.05477	7.5
93.07037	19.0
95.04972	3.3
95.08601	27.8
97.06520	4.0
97.10178	13.2
102.09208	3.8
105.07022	10.2
107.08579	19.1
109.10114	13.7
111.08082	42.4
111.11713	4.4
111.83241	3.0
115.07637	2.9
119.08565	5.3
121.10119	16.0
123.08115	3.9
123.11720	6.6
125.09659	8.1
129.09117	58.3
131.08598	6.2
133.10069	5.0
135.11722	12.5
137.13326	4.0
143.08662	3.4
145.10172	5.9
147.11845	3.5
149.13268	8.8
153.12775	3.2
157.10156	2.9
163.14804	6.6
171.11705	7.2
173.13324	3.6
187.14919	4.7
197.08153	3.8
219.21086	12.7
237.22121	18.8
255.23148	4.3
270.99329	2.8
339.34561	6.7
340.35709	7.5
362.30975	3.0
365.30490	10.7
401.27673	3.1
401.30081	3.2
401.38364	18.7
402.30408	3.1
402.39359	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	5.9
55.05512	29.5
57.07074	9.1
62.58996	4.5
65.03935	8.3
67.05502	66.6
67.93708	3.7
68.05856	4.6
69.03442	7.2
69.07067	56.3
71.04993	9.7
71.32503	5.0
79.05481	38.5
81.03424	7.6
81.07053	100.0
83.04978	6.9
83.08621	22.1
85.06532	12.1
87.04469	4.7
91.05488	25.8
93.07036	42.2
95.04959	11.8
95.08610	85.3
96.08930	5.0
97.06543	9.2
97.10178	8.3
99.04432	4.1
104.07087	6.0
105.07026	36.7
107.04977	6.6
107.08586	33.5
109.02891	7.1
109.06498	4.4
109.10162	43.7
111.04455	5.5
111.08080	6.9
116.01612	4.2
117.07009	9.0
119.08541	19.4
121.06510	9.8
121.10143	33.6
123.08061	5.0
123.11691	20.9
124.76724	4.4
125.06010	5.7
125.09621	9.8
129.07010	6.6
131.08604	12.9
133.06500	6.9
133.10149	20.6
135.11687	21.7
137.05983	26.5
137.09599	6.1
137.13303	9.1
139.07562	5.8
143.08559	11.6
145.06487	8.1
145.10118	15.9
147.08000	7.3
147.11691	16.0
149.09631	4.2
149.13240	9.0
151.03909	9.1
151.07539	25.0
151.11209	9.0
151.14789	4.6
153.05489	7.3
157.10138	7.0
159.08084	11.0
159.11705	11.8
161.09564	7.2
161.13235	12.4
163.07550	6.5
163.11203	5.1
163.14830	9.0
165.09131	7.1
165.12769	6.3
167.07082	4.3
171.11671	5.9
173.11862	4.7
173.13292	11.1
175.14761	8.0
177.09143	5.8
177.12909	5.2
177.16415	4.4
179.10628	8.3
179.14305	5.0
181.04907	18.9
187.14792	9.8
189.09102	8.8
189.16406	8.1
189.82436	4.7
197.13290	5.8
199.14786	5.7
203.10649	6.7
221.11716	10.6
243.21111	9.9
255.47485	4.3
261.22046	22.2
279.23196	63.8
280.07346	4.6
280.23709	5.4
281.88699	3.9
285.11264	4.6
297.24176	4.3
312.96698	4.0
383.25500	6.1
383.29608	11.9
401.19391	15.2
401.31055	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	402.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96580	9.3
58.76780	6.2
69.31888	12.4
69.32291	34.9
70.06591	100.0
100.25501	7.7
104.58183	6.4
107.04943	10.8
115.79510	5.3
122.28085	6.3
123.04404	7.5
129.10254	6.5
131.04950	15.8
139.03905	7.5
148.06186	45.0
149.06068	12.6
163.03918	8.5
177.05455	60.0
187.03842	8.5
189.05469	5.9
191.06989	12.2
195.22266	6.4
197.06097	7.3
204.04185	8.2
215.07004	12.0
217.05133	6.7
219.06487	12.1
231.53769	7.0
242.82446	7.1
243.06595	6.4
257.08115	7.3
260.06784	20.4
270.06754	8.7
275.09106	69.7
277.06918	13.0
292.16202	6.7
319.07895	10.3
337.09186	17.4
345.09540	15.6
354.33984	6.0
384.15149	10.3
402.15250	39.3
403.10562	9.3
403.15460	57.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52461	2.5
55.01219	3.2
55.05520	4.0
56.96566	6.8
57.03433	5.7
61.02918	10.3
62.45258	2.8
65.03941	3.6
69.03424	15.7
69.73917	11.1
70.06573	4.6
71.05000	5.9
73.83012	2.5
79.05525	4.5
81.03403	8.8
81.07065	6.2
85.02898	66.3
87.04478	5.3
91.03935	3.8
92.05010	9.6
93.05759	2.9
94.06591	3.0
97.02885	10.9
98.97586	6.3
99.04506	4.1
106.06554	6.9
107.04977	4.2
109.02904	6.6
110.06054	28.5
110.89137	3.1
116.98581	4.0
124.07669	3.6
127.03910	15.2
128.98587	3.6
136.06206	11.7
145.04951	36.0
147.04422	4.2
163.06033	15.5
176.36909	2.9
178.12262	3.3
194.11795	3.7
216.05579	5.8
219.01823	5.2
222.11221	5.5
237.02817	5.5
238.40326	3.1
240.12318	8.2
240.15973	11.5
342.08560	5.2
343.06882	3.0
354.49780	3.2
361.08151	5.2
367.61148	3.0
370.18704	3.5
402.14301	21.7
402.21365	42.7
403.06564	6.4
403.15985	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51218	0.5
53.03938	0.9
55.01874	1.5
55.05490	1.6
57.03420	1.8
59.04987	1.3
60.25960	0.5
61.02919	0.9
65.03961	0.7
67.05487	3.0
69.03421	3.1
69.07055	1.6
69.82219	1.0
69.82561	2.6
71.04977	1.1
79.05497	3.3
81.03415	1.4
81.07043	4.2
85.02896	10.6
85.06519	0.8
89.50279	0.5
91.03912	0.7
91.05459	2.9
93.07028	2.2
95.04985	0.6
95.08598	3.2
97.02885	3.2
97.06497	0.7
99.04401	0.7
103.05453	1.9
104.06240	2.4
105.07024	25.0
106.07357	0.9
107.04932	1.4
107.08595	1.1
109.02855	1.4
109.06499	1.2
109.10148	2.4
117.78741	0.5
119.08576	1.2
121.06464	0.7
121.10155	1.0
122.03629	0.5
123.04381	1.0
124.05236	1.2
125.06009	0.7
127.03842	1.1
131.04897	1.4
131.08562	1.1
132.05670	2.6
133.06482	40.8
133.10150	1.1
134.06828	1.6
135.04427	0.7
137.05962	22.1
138.06294	1.1
145.04956	1.6
145.06487	0.7
145.10158	1.0
149.05991	1.3
149.09584	0.6
150.06749	54.4
151.03876	1.3
151.07132	2.0
153.05498	0.9
165.09102	100.0
166.09435	4.4
167.06970	3.4
181.04930	3.9
193.08624	1.9
205.12128	1.4
223.13252	9.6
265.21649	0.6
275.19891	1.7
293.21060	4.4
297.15939	0.6
331.11505	0.8
402.27164	1.1
402.89328	0.6
403.26572	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.5
57.03442	1.6
69.03426	2.6
69.14787	6.7
79.00961	0.7
79.05497	2.1
81.03407	3.1
81.07042	3.2
85.02900	10.6
88.07581	0.9
90.33134	0.9
91.05470	2.5
93.07026	0.9
95.04964	1.2
95.08580	2.4
97.02878	2.5
99.04515	0.8
103.05472	1.3
104.06235	2.5
105.07030	19.9
107.04942	1.5
107.08574	1.2
109.02873	4.1
119.08562	1.3
121.06512	1.2
124.05212	20.9
127.03914	2.0
131.04936	2.0
132.05701	5.0
133.06487	13.9
135.04361	1.7
135.08017	1.6
137.05975	24.6
145.04980	1.4
149.05931	1.0
150.06757	38.1
151.07199	1.4
159.11711	1.2
165.09114	100.0
166.09497	4.7
167.07065	2.2
174.22498	0.8
181.04921	2.4
191.14215	0.9
205.12279	2.3
206.63658	1.0
223.13312	8.7
384.09918	0.9
400.93869	0.8
402.15781	1.2
403.13663	1.2
403.29382	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05485	1.0
56.05005	0.3
57.07077	9.5
58.06603	1.9
58.10837	0.3
63.79415	0.3
67.05486	0.7
68.05029	0.3
69.03442	0.3
69.07042	1.0
69.28502	0.9
69.28923	1.4
70.06593	20.6
71.08633	4.2
72.08138	0.6
74.06058	0.4
79.05470	0.6
81.07064	1.4
83.08588	0.6
83.41811	0.2
84.08121	0.5
85.06525	0.3
86.09683	0.4
88.07631	26.3
89.07893	0.3
90.09162	0.3
91.05457	0.7
91.54070	0.2
93.07036	1.2
95.08604	1.3
97.10160	0.3
102.09184	16.4
105.07010	0.7
107.08577	0.9
109.10143	0.6
118.08616	0.3
119.08525	0.4
120.82542	0.3
121.06493	0.4
121.10095	0.9
132.10164	0.9
133.10162	0.4
133.56598	0.3
135.11688	0.7
137.09631	0.3
145.10098	0.3
146.08147	0.5
146.11745	1.0
149.09615	0.6
150.11244	0.9
159.11627	0.3
163.14806	0.3
163.63388	0.3
173.09390	0.3
185.08066	0.5
222.39702	0.3
233.84050	0.3
256.10358	0.3
296.33099	0.8
314.14423	0.4
314.34152	0.6
322.34607	0.4
338.14825	0.6
340.35736	39.4
341.36063	4.0
342.13794	0.3
354.10562	0.6
356.15729	2.3
356.19366	0.3
369.65079	0.3
384.10315	0.4
384.15231	7.3
384.38281	2.9
385.15765	0.8
385.38712	0.5
402.16336	2.3
402.39401	100.0
403.16296	0.5
403.21225	2.6
403.39743	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33098	0.3
53.03931	0.4
55.01862	1.9
57.76844	0.3
60.12748	0.3
61.01128	1.4
65.03941	0.6
67.05508	0.6
68.99781	2.6
71.34159	0.7
72.04497	1.6
72.93240	0.4
78.03388	0.4
78.03780	2.7
79.05482	1.1
81.07053	0.6
82.04206	0.5
83.08598	0.5
85.02878	0.5
86.06079	1.8
86.36650	0.4
88.00122	0.4
91.05473	1.5
93.07047	0.9
95.08603	0.9
100.11314	0.6
102.03759	5.7
103.05454	0.6
105.07001	1.3
107.04947	3.7
107.08550	0.6
110.03699	0.5
115.05455	0.6
115.08678	1.5
125.05962	0.6
128.06190	1.1
129.06990	2.2
131.06378	3.2
131.08546	0.9
132.04778	1.9
133.02831	0.9
133.10121	0.6
135.11653	0.4
137.02365	0.7
137.05974	1.0
142.02585	0.4
143.08548	1.0
145.06491	0.6
147.04349	0.5
149.07426	20.9
151.03891	1.1
151.07544	0.6
152.06157	1.3
153.05594	0.7
153.06978	5.1
154.07339	0.4
157.06483	6.1
158.06834	0.6
159.08080	0.8
161.05934	1.0
161.09619	0.4
165.05533	0.5
165.06964	1.1
167.07045	2.9
169.06442	0.9
171.08038	2.7
177.05557	0.5
178.04974	6.7
179.07092	0.7
181.04941	9.0
181.06480	12.3
182.05286	0.6
182.06831	0.9
184.05139	0.6
185.05951	3.1
187.07539	2.3
189.08983	0.5
193.08618	0.9
197.05881	0.5
199.07526	7.2
200.07899	0.6
209.06000	4.8
210.06670	0.9
213.05453	7.0
221.08041	0.7
226.06261	0.8
227.07033	14.7
228.07339	0.7
237.05486	2.4
238.06291	0.4
247.16895	0.6
255.06509	100.0
256.06845	6.6
272.09125	0.6
284.06268	0.6
284.09192	8.6
325.10739	0.8
326.10211	4.9
327.10474	0.6
373.12753	0.9
403.13528	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	403.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.3
65.03935	3.6
67.05489	3.1
69.58258	9.8
72.69667	1.6
75.62548	1.6
78.04690	4.2
79.05492	11.7
81.07048	3.9
87.90118	1.8
91.05494	8.3
95.04949	6.2
95.08630	1.8
100.11214	2.0
103.05460	2.2
105.03369	2.3
105.07014	5.3
107.04940	26.0
115.05432	5.7
116.06240	1.6
117.06990	1.9
119.04959	2.8
121.06532	3.8
123.04408	7.5
124.05194	6.4
125.05947	3.7
127.71310	1.7
129.07014	5.9
131.04938	2.6
131.08568	7.9
133.06479	4.1
137.05942	6.0
141.06952	3.4
144.05719	4.3
145.10081	2.0
151.03923	2.7
151.07510	2.0
152.04713	3.3
153.05484	3.1
157.06541	2.3
159.08005	12.8
159.09091	1.5
161.05984	5.0
161.09657	2.0
167.07033	100.0
168.07381	4.6
169.07547	2.2
170.07260	9.7
173.05992	2.3
175.07578	2.3
177.05521	2.2
179.07011	3.1
181.04965	27.7
181.08621	11.0
183.06487	2.8
187.07538	23.7
189.09065	3.5
192.04060	1.8
193.08609	3.2
203.06927	2.2
204.07791	15.5
205.08537	1.7
207.06308	2.4
210.06859	1.9
216.07857	3.3
219.10153	16.9
221.05873	2.0
221.07950	3.3
221.11639	3.1
231.10164	22.7
233.09604	2.4
235.07518	2.0
235.09677	2.9
249.11243	3.9
250.10059	2.5
253.08263	1.8
261.09033	2.5
263.06952	2.1
279.10190	2.6
282.08887	4.8
293.11594	3.0
295.09579	2.5
307.09467	2.1
321.11200	3.4
325.14349	2.5
343.11700	7.5
353.13766	7.5
354.14651	2.8
373.12408	2.5
385.16522	14.5
403.13687	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	403.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.6
55.05522	0.3
65.03915	0.6
67.05499	0.4
69.72206	0.9
69.72601	0.5
78.04700	2.1
79.05489	2.5
81.07033	0.9
91.05464	1.8
93.07045	0.8
95.04950	1.0
95.08610	0.5
98.22636	0.3
103.05475	1.9
104.06255	0.5
105.07026	11.2
106.04147	1.0
107.04955	1.9
107.08595	0.4
109.06561	0.3
115.05446	2.4
118.04129	0.8
119.08545	0.5
121.06456	1.3
121.10236	0.4
123.04422	5.0
124.05244	1.8
131.04866	0.9
132.05708	0.8
133.06483	8.4
134.06808	0.4
137.05956	0.9
140.04623	0.3
143.04971	0.4
143.06012	0.8
146.03613	0.4
149.02292	0.4
149.05959	2.4
151.03903	1.1
151.07550	0.5
152.04654	1.2
153.05374	0.3
160.05200	0.4
161.05962	7.1
162.06258	0.6
167.07025	100.0
168.07388	4.0
177.05496	0.5
178.06210	1.0
181.04944	6.7
181.08533	2.4
182.05406	0.3
191.06985	0.6
193.08585	15.1
194.08940	0.8
205.08588	0.4
211.09608	2.7
246.75789	0.3
251.06305	0.3
268.58420	0.3
280.07199	0.4
283.05972	0.3
284.77216	0.4
357.13416	0.4
362.71353	0.3
404.28729	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1749
Annotation	7-Deoxy-7-oxodunnianin
Peak:m/z	Relative Intensity
53.03947	0.7
55.01872	0.9
55.05527	0.8
65.03931	6.0
67.05495	3.9
69.03399	1.1
75.04450	0.8
77.03935	0.8
79.05482	3.1
81.03404	0.7
81.07074	1.4
82.04180	3.2
85.02897	3.7
90.96569	0.7
91.05473	5.4
93.03393	2.0
93.07015	2.5
95.04972	4.3
95.08626	0.8
97.06523	1.4
102.86405	0.8
103.05456	2.9
105.07029	5.5
107.04957	5.0
107.08562	1.0
109.10107	1.1
110.03659	2.9
111.04436	2.3
115.05447	2.0
117.06992	1.6
119.08553	1.7
121.06514	4.1
121.10178	0.7
123.00761	1.0
123.03624	0.7
123.04437	2.3
125.06001	1.7
128.06224	3.0
129.06985	7.1
131.04878	3.3
131.08572	2.3
132.05675	0.9
133.06482	3.0
133.10120	1.7
135.08093	1.2
137.05960	0.9
138.03099	1.7
141.06981	1.0
141.97482	0.7
142.02603	3.0
143.08543	2.8
144.05679	0.9
145.06488	2.1
145.10042	0.8
146.07256	2.6
147.08081	1.1
148.05156	1.1
149.05952	1.7
150.06752	0.8
151.07568	1.0
152.06177	1.8
153.05460	2.1
153.06812	1.0
157.06483	5.3
158.07129	0.7
159.04388	1.1
159.08047	1.6
161.05913	1.0
161.09605	7.3
163.07597	1.5
165.06963	2.6
165.09117	1.5
166.02673	0.8
166.06239	1.3
166.07724	1.0
167.07045	9.8
167.08475	1.8
169.06497	1.1
169.10011	1.0
171.06500	3.4
171.08041	2.5
171.33002	0.7
174.06813	3.8
175.07440	2.3
176.04674	0.7
177.05450	3.1
177.06911	1.7
178.06213	0.9
178.07695	1.0
179.08586	2.8
180.09375	1.1
181.04953	100.0
181.08498	12.3
181.10051	1.3
182.05286	3.6
182.07207	1.5
183.06490	1.9
183.08002	1.2
187.07515	1.0
187.14812	1.2
189.07268	1.1
189.09081	18.9
190.07774	1.4
190.09227	1.3
191.06989	4.5
191.08617	1.7
192.07780	2.4
193.06734	1.4
193.08582	5.8
193.10085	1.4
194.09258	0.8
195.08107	4.8
195.11824	0.9
196.08578	0.8
197.05922	1.6
199.07536	1.2
199.11198	0.8
201.12706	1.4
203.08571	0.9
205.06554	0.7
205.08473	1.0
205.10219	1.4
206.09216	0.9
207.08020	3.3
207.10132	2.0
208.08794	4.1
208.79662	0.7
209.06020	1.1
209.07883	1.0
209.09718	1.6
209.11702	1.8
210.06729	3.2
211.07625	2.2
212.08159	1.1
217.08572	6.2
218.07225	1.8
219.08054	3.4
219.10159	1.9
220.08812	1.1
221.06049	1.7
221.09651	2.0
221.11670	16.3
222.06721	1.0
222.10349	2.0
222.12213	1.0
223.07504	3.1
223.11211	3.1
224.08272	1.9
225.05547	1.3
225.09227	4.4
226.06065	0.9
227.06989	1.6
229.04921	0.8
232.08841	2.0
233.09644	4.3
234.10309	0.8
235.07513	5.5
235.09499	1.7
236.08310	2.8
237.09000	1.5
237.12758	1.5
238.06219	1.0
238.09883	2.5
239.07053	1.9
239.10498	1.2
240.07765	1.5
247.07571	1.2
247.11143	1.5
248.08281	2.2
249.05499	0.9
249.08983	3.9
249.11247	11.7
250.09784	5.8
251.06998	1.7
251.10611	4.6
253.08585	2.8
253.12186	0.9
254.09401	1.3
255.06522	1.4
255.10143	2.8
257.08237	1.3
261.09204	3.8
263.07056	3.1
263.10773	1.5
264.07739	3.4
264.11102	1.0
265.08740	0.8
265.12234	2.6
266.09314	1.0
267.10086	1.7
269.08212	1.0
269.11758	2.1
270.09003	0.8
271.09613	2.4
272.10403	0.7
272.95645	0.8
275.10660	0.9
277.08511	2.4
278.09290	6.5
279.10095	7.8
280.07419	1.0
281.08047	3.4
281.11496	0.8
283.06171	0.9
283.09607	2.8
283.13269	2.0
285.11145	1.8
287.09122	2.3
287.12582	1.4
289.08545	2.1
292.07193	1.4
292.10703	0.9
293.08459	1.3
293.11661	9.1
294.12167	1.6
295.09576	2.8
296.10306	1.3
297.11230	1.8
298.08411	0.9
298.11938	0.9
299.09250	1.6
300.09909	1.0
306.08585	1.5
307.09650	4.2
309.07623	1.3
309.11044	1.5
310.11942	3.1
311.12756	7.9
312.13028	0.9
313.10648	2.8
314.11340	2.0
315.12247	6.8
315.15811	1.5
321.11169	6.9
322.11813	1.5
323.09177	1.5
324.09683	1.2
325.10736	1.5
325.14194	6.5
338.11493	2.8
339.12198	7.9
340.12897	1.8
341.13858	1.3
343.11646	1.2
343.15399	7.8
345.13391	8.9
353.13797	14.8
354.14423	1.8
356.12576	1.1
358.14075	1.2
371.14859	13.4
372.15045	0.9
373.16412	3.2
376.19437	0.8
385.16342	4.7
398.11441	0.8
403.17484	9.5
403.29532	1.7
404.17538	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.0
55.01855	0.9
55.05505	2.5
58.34507	0.6
65.03930	2.0
67.05511	4.0
69.03441	0.9
69.07045	1.5
69.17494	5.9
71.04993	1.2
79.05486	7.3
81.03422	4.8
81.07050	7.2
83.04985	1.8
83.08610	1.3
91.05476	6.0
93.03403	1.1
93.07037	2.9
94.04177	0.9
95.04973	8.9
95.08594	3.1
96.05741	2.2
97.10164	1.0
98.22536	0.7
100.90032	0.7
105.07027	2.9
107.04942	1.0
107.08575	2.4
108.05737	1.0
109.02869	1.3
109.06516	3.7
109.10171	1.2
111.04417	1.4
111.08053	1.2
115.05462	0.8
117.06985	1.6
119.04966	1.4
119.08567	3.0
121.06466	0.7
121.10114	1.5
122.03635	4.1
123.04411	0.6
123.08080	0.9
123.11697	0.8
124.05213	6.4
125.05993	1.2
125.09643	1.1
129.06999	1.7
131.08545	2.4
133.10143	1.5
135.04420	1.0
135.08054	1.7
135.11636	1.0
136.05194	0.9
137.02307	1.7
137.05978	9.8
137.09647	0.8
138.06732	1.9
139.07536	7.0
141.01811	1.2
145.06502	1.1
145.10124	2.1
147.11688	1.2
149.06035	0.8
149.13252	1.3
151.03920	14.5
151.05034	1.4
151.07541	5.5
152.04675	10.2
152.61224	0.6
153.05403	1.1
154.06207	2.4
155.08517	0.8
156.04100	1.4
157.06506	1.4
157.10086	0.9
159.08046	2.4
159.11612	1.3
161.13364	0.7
163.07603	0.7
165.05492	1.1
165.09204	0.8
166.06218	2.7
167.07039	2.3
169.08611	4.7
169.09828	0.8
171.07962	0.8
171.11714	1.0
174.06804	1.4
175.07533	2.4
175.43951	0.6
177.09128	0.9
181.04918	0.7
181.08598	5.9
183.11679	1.3
184.03731	0.6
185.06113	0.8
185.08040	2.0
187.07523	1.9
187.14789	1.0
189.09129	4.3
190.06294	0.8
191.07076	1.8
195.06520	100.0
196.06821	4.1
197.08121	3.6
197.13087	1.1
200.08197	1.0
201.09099	1.1
202.09903	4.3
203.06956	2.0
203.10501	0.9
205.08626	1.7
205.33075	0.6
215.06976	0.8
217.08617	2.8
218.09398	5.3
219.06488	1.5
219.09972	1.1
230.09343	4.4
231.06494	1.5
231.10025	1.0
233.11655	4.6
234.08838	6.3
235.09752	0.8
235.13109	0.6
246.08940	2.0
249.11215	12.7
250.11697	0.8
251.18008	0.8
261.11215	19.5
262.11591	1.0
268.29544	0.7
279.12357	5.4
289.32336	0.7
314.07562	0.7
314.80310	0.7
329.10132	1.1
330.10776	0.7
336.13593	0.6
340.13107	2.7
355.15454	4.7
373.09219	1.7
385.16418	11.5
385.27863	0.8
403.17697	3.0
403.24908	0.9
403.29584	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	403.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.9
55.05514	7.5
57.07063	2.7
59.04974	2.0
65.03920	1.8
67.05501	13.8
69.03438	3.7
69.07057	11.4
69.92498	1.4
71.04976	7.1
71.92281	1.5
79.05483	16.2
80.05835	1.7
81.06612	2.5
81.07051	23.9
83.04976	2.2
83.08604	4.6
85.06543	27.1
87.04443	1.4
91.05472	15.8
93.07043	22.8
95.04961	7.8
95.08021	2.1
95.08601	28.8
97.06540	6.6
97.10155	3.7
98.22540	3.5
99.08107	1.5
103.05458	3.7
105.03386	1.5
105.07011	18.4
107.04944	10.7
107.08584	26.6
108.05711	4.1
109.06512	5.9
109.10136	15.8
111.04436	2.5
111.08092	3.1
113.06023	2.0
115.05408	2.0
117.07031	4.0
119.04875	1.9
119.08578	16.2
121.06470	7.6
121.10127	15.8
122.10481	1.6
123.04431	3.8
123.08038	4.4
123.11695	7.9
124.05191	5.8
125.05993	3.0
125.09578	1.5
128.06166	1.4
129.07016	2.4
131.04956	2.3
131.08575	5.8
132.05804	1.4
133.02814	1.5
133.06485	5.5
133.10107	13.1
135.04391	3.8
135.08070	9.9
135.11696	12.0
136.05209	8.7
137.05965	6.2
137.13243	2.4
138.06744	12.0
139.03870	1.5
139.07545	17.9
139.11134	2.7
142.07706	2.0
143.07281	1.4
143.08586	3.7
145.06474	2.1
145.10143	7.9
147.04416	2.3
147.08038	6.0
147.11710	6.5
148.05209	6.5
148.08806	1.4
149.05978	5.3
149.09613	2.9
149.13187	7.7
150.06740	3.4
151.07532	100.0
151.11145	3.4
152.04582	1.8
152.07912	3.8
153.05420	3.5
154.06245	6.0
155.07022	2.2
155.08452	1.7
156.56648	1.5
157.10118	2.1
158.07275	2.1
159.08051	3.5
159.11707	4.8
160.08809	3.7
161.05952	2.9
161.09656	2.0
161.13278	7.2
162.06744	3.7
163.07553	6.2
163.11263	1.4
163.14799	8.9
164.08328	3.8
165.05475	39.1
165.09108	14.0
166.06242	16.3
167.07019	9.4
167.08299	1.4
167.10674	3.0
168.07751	1.4
169.08629	12.4
169.10028	2.3
171.08090	2.0
171.11664	3.4
173.09587	3.2
173.13229	4.2
175.07567	1.6
175.14822	3.8
176.08304	4.2
177.05391	1.5
177.09084	4.5
177.16385	3.3
178.09843	5.7
179.07062	4.7
179.08559	1.6
179.09062	2.1
179.10651	22.7
179.14223	2.7
180.07800	4.5
181.08589	69.6
181.15825	2.0
182.08926	4.3
183.11668	2.5
186.10400	7.0
186.11858	1.4
187.07489	7.7
187.11081	2.5
187.14690	2.7
187.21220	1.4
189.09085	2.6
189.16380	4.6
191.10638	8.5
191.17961	12.0
193.08620	13.5
193.12149	2.8
193.15878	3.1
194.09380	7.2
195.06543	12.8
195.10158	19.4
195.11780	1.5
195.17386	1.4
197.08112	8.3
197.13284	1.7
201.09038	1.5
201.16460	1.4
202.09850	18.6
203.17957	4.0
205.08571	3.2
205.12094	1.6
205.19482	1.7
207.17442	1.8
209.11734	16.2
211.09761	3.8
213.16345	1.8
216.11458	5.4
217.08879	2.2
217.12224	40.8
217.19469	3.4
218.12570	1.5
219.10165	1.6
221.11499	1.8
228.85510	1.3
229.08591	2.0
232.11044	1.8
235.09630	1.9
235.13234	42.0
236.13641	2.6
237.14824	3.9
247.09500	1.7
247.13332	6.0
265.14325	25.5
266.14682	1.8
289.14346	4.7
315.15921	1.8
333.13342	2.1
333.21823	1.4
367.19147	1.7
385.15848	2.7
385.20258	7.2
385.34622	6.4
403.12100	2.2
403.20706	9.8
403.24832	3.1
403.28851	8.0
403.35669	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.3
55.05511	6.2
57.07059	2.7
65.03916	2.2
67.05188	1.5
67.05502	11.5
67.50160	1.0
69.07059	9.6
69.21791	2.3
69.22192	6.8
70.06594	1.3
71.08608	1.9
75.07034	1.0
78.93033	1.1
79.05500	6.1
81.07053	16.1
83.04978	1.7
83.08617	6.4
85.06522	1.4
88.05186	1.1
91.05467	5.9
93.07047	13.3
95.04995	1.7
95.08596	19.2
97.06519	2.5
97.10136	1.4
105.07014	10.5
106.75308	1.1
107.08587	20.0
109.06489	2.3
109.10142	14.6
110.10527	1.3
111.08044	3.0
115.05505	1.4
119.08575	15.9
120.08913	1.2
121.10136	13.9
123.08054	6.6
123.11720	11.4
125.09575	2.4
129.07016	1.4
131.08562	7.0
133.10089	10.5
135.08044	2.8
135.11694	8.3
137.09598	2.7
139.11186	1.7
142.07771	2.6
143.08537	5.3
145.10126	10.0
147.11690	5.5
149.09558	2.5
149.13277	6.4
151.11183	4.6
153.06976	2.9
154.07706	1.5
155.08546	27.1
156.09241	4.8
157.10109	13.4
159.11676	11.4
161.13237	4.9
163.11157	4.3
163.14796	4.2
165.06990	5.3
165.12613	1.3
166.07840	5.8
167.08542	12.7
168.09320	12.6
169.10130	21.2
170.10736	3.7
171.11671	7.3
173.13260	8.2
175.14825	4.0
177.12735	6.3
177.16293	2.0
179.08594	2.9
180.09250	1.8
181.04944	2.8
181.10104	72.4
182.10886	42.2
183.11678	100.0
184.11992	5.0
185.13255	13.7
186.13620	1.9
187.14784	7.1
189.16374	2.6
191.14308	3.2
193.08580	1.5
193.10152	4.6
193.15854	2.1
194.10869	1.6
195.11670	21.5
196.12341	3.4
197.13245	57.5
198.13571	4.6
199.14801	7.6
205.15868	7.5
206.10756	1.3
207.11658	3.4
207.17430	1.8
208.12401	2.0
209.13228	12.7
210.13962	4.1
211.14792	9.9
213.16400	5.4
215.17935	6.4
219.11632	2.6
219.13734	1.2
221.13235	4.3
222.14082	1.8
223.14845	12.4
225.16360	18.7
227.17882	2.2
231.11575	2.0
232.12408	1.3
233.13237	3.2
233.18945	12.0
235.14787	4.3
236.15517	1.1
237.16357	7.0
239.17973	9.5
245.08098	1.7
245.13179	3.3
247.14766	2.6
249.16376	4.6
251.17885	11.6
252.18257	1.9
253.19493	3.3
259.14740	2.9
261.16287	2.2
263.17926	3.6
265.19547	8.6
273.16248	2.7
275.12881	1.6
275.18033	1.7
277.15750	8.3
277.19458	2.4
279.21075	1.6
287.17834	1.3
289.19571	1.4
296.15869	1.1
301.19473	4.3
305.22186	1.6
312.65158	1.3
315.21088	5.8
317.22534	3.0
319.20514	14.8
320.20813	2.5
329.22745	1.7
333.22058	9.0
334.22476	2.4
347.23541	4.8
361.25180	3.2
385.28854	8.3
403.29791	57.1
403.39432	4.4
404.30087	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	403.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98260	3.5
55.01887	4.8
55.05510	27.9
57.03425	4.3
57.07076	12.4
61.69303	3.2
65.03940	5.7
67.05501	75.4
69.03426	3.7
69.07074	35.8
71.05005	12.6
71.32671	6.7
79.05487	33.8
81.06575	5.9
81.07053	100.0
83.04992	8.2
83.08622	20.0
85.06531	6.7
91.05000	3.4
91.05460	21.6
93.07045	50.4
95.04976	6.1
95.08604	98.1
97.06526	11.5
97.10184	15.0
105.07022	27.5
107.08584	29.4
109.06490	6.1
109.10155	38.2
111.08083	4.0
117.07018	10.6
119.08571	33.3
121.06528	4.8
121.10146	34.7
123.08012	5.6
123.11716	15.2
125.09631	8.1
131.08551	22.0
133.10156	24.2
135.04482	4.4
135.08089	7.5
135.11670	19.5
137.05965	12.1
137.09567	4.4
137.13246	9.3
143.08580	8.7
145.10127	24.0
147.11674	18.2
149.09547	5.0
149.13295	7.0
151.07564	4.4
151.11174	7.8
153.05455	5.7
155.08546	5.8
157.10072	5.0
159.11746	12.8
161.05972	6.1
161.13275	13.1
163.14798	4.2
167.03368	5.1
169.10062	6.1
171.11717	5.2
173.11829	4.2
173.13289	11.5
175.14827	7.5
177.09003	4.2
179.14339	7.5
181.12210	4.1
184.71593	3.8
187.14851	11.5
195.11700	4.8
197.74628	3.6
201.16316	4.0
203.10513	5.0
209.13394	4.9
215.14238	4.4
237.11450	4.3
243.21149	10.0
261.22156	29.6
279.23175	64.8
280.23483	4.9
297.11179	3.9
297.24304	4.2
307.20352	4.9
373.16653	6.8
385.16324	10.0
403.24466	6.8
403.29495	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	404.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	0.6
67.05515	1.2
69.82659	1.3
69.83068	1.2
79.05476	0.9
81.07042	0.9
87.20626	0.5
87.39633	0.6
89.03923	1.3
91.05479	1.1
93.07036	1.2
95.08591	1.4
98.23315	0.7
98.97587	8.5
104.05038	0.8
105.07025	1.3
107.04948	1.1
107.08600	0.7
109.10155	0.6
116.04971	0.9
116.98619	5.0
119.08562	1.1
120.04453	1.5
129.04506	2.8
129.07019	0.6
130.02901	0.8
130.04037	0.9
131.03751	0.5
131.04985	0.5
133.05225	2.3
134.06007	6.4
134.99655	1.3
137.05949	3.5
141.04395	0.8
143.06061	3.2
143.08543	0.8
145.02824	2.0
145.05228	2.0
145.10112	0.9
156.04431	9.2
157.04884	0.7
157.10118	0.5
159.05373	0.7
160.04051	0.8
167.07001	1.2
169.03944	1.2
170.04724	0.9
171.05536	2.5
172.03923	11.8
173.04686	1.0
173.07158	0.7
177.05470	0.9
182.07130	0.9
183.05531	10.6
183.11580	0.6
186.05505	0.7
199.05035	3.4
200.03485	3.0
201.04201	4.4
201.06573	1.5
210.04317	1.0
210.06569	1.3
216.06615	3.3
226.11136	1.9
229.07481	0.6
235.02715	4.8
242.03244	3.4
244.08708	0.6
244.12135	0.8
246.07916	0.8
253.03873	7.3
259.08682	0.6
272.08160	3.8
273.06393	1.1
273.09018	2.4
274.07214	0.6
276.05313	0.6
284.08057	0.6
287.08231	1.9
300.07666	4.3
301.08350	5.5
302.08847	0.6
303.07599	1.3
312.07788	0.8
315.10043	1.1
316.10800	2.9
328.07166	9.5
328.10870	0.4
329.07922	38.3
330.08380	3.0
344.10300	26.5
344.14578	1.4
345.10474	3.0
372.09769	100.0
373.10080	9.0
404.17441	4.6
405.22299	1.3
405.31104	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1527
Annotation	Perphenazine
Peak:m/z	Relative Intensity
54.43810	0.3
58.90724	0.3
69.65434	1.5
85.02928	0.8
97.02905	0.3
98.23320	0.3
112.02937	0.3
112.03699	0.5
141.05519	0.4
141.45552	0.3
153.05267	0.4
169.04973	0.8
171.06259	0.3
202.09355	0.3
208.46614	0.3
224.08870	0.9
242.09981	4.7
265.03549	0.3
287.11005	9.5
288.11334	0.3
333.11548	2.5
404.15286	100.0
405.15640	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	404.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65698	1.0
57.03431	4.9
57.37228	0.9
65.03939	1.4
69.62344	4.9
73.02933	1.3
75.04476	2.0
85.02901	3.5
91.05477	100.0
92.05799	2.6
95.01331	1.9
98.52045	0.9
105.07004	1.2
107.51472	0.9
112.51878	0.8
119.08623	1.3
133.52768	1.0
134.66066	1.1
137.05966	7.3
141.01816	4.5
161.13271	1.5
167.07033	1.8
193.08600	48.9
194.08952	3.3
207.13771	3.5
211.09639	14.8
369.11795	1.2
392.96115	1.1
405.17310	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92206	1.1
56.96310	1.7
56.96564	17.9
67.05499	2.1
69.07052	1.1
69.21051	1.0
71.04959	0.9
71.32944	1.6
71.95247	4.5
77.32450	1.1
79.05471	1.1
81.07071	2.2
91.05476	1.3
93.07030	1.8
94.04148	1.1
95.08604	2.5
98.97577	91.8
105.07025	1.8
114.89308	1.2
116.98618	63.6
119.08575	1.4
120.85201	1.2
122.03643	6.2
134.98683	1.0
134.99648	28.5
137.05975	50.4
138.06323	2.4
140.00191	3.1
145.10136	1.2
153.00711	2.1
158.01288	2.3
160.99135	1.3
178.87967	1.1
179.00165	2.7
187.14778	1.2
191.07216	1.1
191.32353	1.1
197.01231	1.8
198.01982	1.6
210.74951	1.1
211.02866	1.7
220.00500	1.8
224.09601	2.2
226.11131	18.7
235.02768	67.2
236.03090	2.9
238.01428	2.7
244.12206	8.1
253.03835	100.0
254.04204	4.7
268.12088	5.4
271.04910	3.8
273.06125	1.2
276.05466	8.7
280.12222	1.5
344.15237	9.1
347.73761	1.2
362.16476	2.7
404.17432	61.6
405.09689	1.2
405.17776	6.7
405.22437	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	3.7
57.03459	5.7
59.05003	98.3
61.02929	5.0
62.83206	2.1
68.99811	2.5
69.03432	35.5
71.04999	4.1
71.31770	4.0
73.02925	3.9
81.03424	17.9
85.02907	83.7
87.04469	100.0
88.04817	2.5
88.50192	2.3
91.05500	11.0
93.07056	3.6
95.04970	3.5
97.02261	4.2
97.02891	63.5
99.04474	8.5
103.03965	11.4
105.05508	85.9
105.07025	5.3
105.77650	2.4
107.04972	4.4
109.02886	18.0
119.08624	2.7
121.02858	2.7
121.06496	18.1
123.04432	4.3
127.03918	70.1
137.05995	3.4
145.04973	39.6
151.03899	3.1
151.07578	4.0
161.05911	2.8
163.06029	5.5
163.07526	2.3
167.07074	4.3
189.07585	6.9
189.12772	3.6
193.08563	4.2
200.45311	2.2
205.08659	4.3
207.10330	3.4
207.13857	5.4
213.07562	2.8
231.08656	29.1
247.09610	6.4
249.09700	35.8
259.02301	2.4
405.16135	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	404.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	4.2
57.35697	3.0
59.05008	4.8
66.13218	3.2
67.05524	3.6
68.50285	2.9
69.03440	9.2
69.04845	30.7
69.07092	4.3
79.05494	4.8
81.03442	4.0
85.02905	11.5
85.06551	6.3
87.04456	4.4
91.05482	100.0
92.05830	4.0
93.07048	12.5
95.01360	5.0
95.08602	6.2
97.02863	5.8
105.07027	40.6
105.07655	4.6
107.04930	4.2
107.08595	11.5
109.06524	11.5
115.10487	3.3
117.07047	4.4
119.08578	47.8
121.06483	3.2
121.10143	13.6
127.03927	4.3
131.08519	6.8
133.10130	8.3
135.08093	5.4
137.05992	12.7
137.09612	27.0
141.01840	5.6
142.59624	3.3
145.04965	3.1
145.10141	9.9
147.11696	48.2
149.09654	10.0
151.07553	10.7
161.13286	22.4
163.11211	6.5
167.07053	15.8
179.07144	5.6
189.12761	29.6
193.08609	36.8
206.06171	3.3
207.10609	3.0
207.13809	80.9
208.14113	6.3
211.09674	14.6
302.72827	3.9
327.84543	3.8
329.36340	3.2
405.15967	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08001	1.4
67.02735	1.3
67.05520	2.9
69.03403	2.0
71.32088	2.6
76.09538	1.3
79.05506	1.9
81.03428	2.5
83.04973	2.6
85.02907	3.2
88.06167	1.4
91.05491	5.8
93.06985	1.8
95.04970	2.3
95.08614	4.2
97.02897	1.8
97.06482	1.9
97.17059	1.6
98.02431	2.0
105.07031	1.9
109.02818	1.9
109.06503	1.7
111.04449	2.3
119.08601	2.7
121.10146	4.9
123.04427	2.3
123.08070	100.0
124.08429	5.0
125.82094	1.4
135.11598	1.4
138.51955	1.4
147.11755	1.3
149.09619	1.9
151.03873	1.7
163.11150	2.6
165.47557	1.4
167.07083	2.2
181.05107	2.4
181.12210	8.5
188.49168	1.3
189.12798	1.6
195.07687	1.4
207.13908	2.2
225.14854	8.7
233.08011	1.5
239.08423	1.9
327.09827	2.0
345.10913	2.8
373.10651	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68774	1.7
55.25983	1.5
67.05500	3.2
71.04985	1.8
71.31594	2.2
81.03419	1.8
81.07068	3.2
83.05000	2.4
85.02913	3.2
91.05485	5.8
93.07043	2.1
95.04978	2.8
95.08605	5.0
105.07024	2.0
109.06542	2.8
114.67616	1.3
121.06520	1.8
121.10162	3.0
123.08070	100.0
124.08398	3.6
137.49620	1.4
149.09714	2.3
167.07095	3.0
175.07538	1.8
181.04897	1.6
181.12254	10.8
207.13841	2.8
222.82446	1.5
225.14799	10.9
309.08435	1.9
327.09702	2.8
345.10840	2.4
373.10278	3.2
387.14352	1.7
393.15140	1.8
405.15207	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21766	5.9
55.05510	10.0
57.03429	11.4
61.45111	6.8
65.03938	7.1
67.05511	7.9
67.81342	5.7
69.03425	10.7
69.07063	8.8
79.05493	14.6
81.03403	14.1
81.07093	17.1
83.04951	9.0
85.02893	27.3
91.05479	21.0
93.07040	20.0
95.08588	10.3
103.05432	6.9
103.07574	10.5
105.07034	33.3
107.04947	13.3
107.08563	23.2
109.06506	21.0
111.08096	11.2
119.08569	19.9
121.10137	21.2
123.04424	13.8
123.08068	11.8
123.11700	23.6
133.06480	17.0
133.10104	9.9
135.11679	8.4
137.05968	39.8
137.09624	29.1
145.10143	7.7
147.04475	10.1
147.11646	25.5
149.09645	11.9
151.03938	9.4
151.07610	12.3
161.05907	12.8
161.09544	8.2
161.13271	14.7
163.11124	13.5
165.09076	25.5
165.12762	100.0
167.07053	44.0
179.07043	10.2
179.14343	9.9
181.04929	29.7
187.07390	7.0
189.09128	7.3
189.12726	23.4
194.08818	8.4
203.68141	8.6
203.70114	7.3
207.13770	49.7
225.07683	10.1
233.08122	16.4
249.11195	35.9
311.80328	7.8
327.09674	11.6
345.10699	10.5
373.10135	7.6
387.14322	8.3
405.15411	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	405.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.9
55.01863	5.7
55.05502	5.6
56.05024	6.8
57.03433	9.0
58.99579	7.3
59.05002	2.7
61.02924	8.3
65.11702	1.9
67.05495	3.0
69.03433	11.0
69.85992	7.6
70.06597	2.2
71.04982	2.4
73.02914	11.9
73.06546	3.2
74.00641	1.8
76.02239	10.9
76.02591	2.0
76.04001	2.9
79.01809	2.2
79.05489	5.8
81.03390	10.4
81.07064	11.6
83.04973	6.1
84.04496	17.8
85.01101	1.9
85.02901	29.9
86.00626	2.5
86.99049	5.1
87.02695	2.4
91.05470	4.9
95.04954	3.8
95.08598	4.8
97.02893	18.3
97.06517	2.9
98.09699	10.2
98.22664	2.4
98.97569	3.5
99.04439	5.4
99.08072	3.0
101.06019	4.2
105.07045	2.6
107.01312	2.7
107.04966	3.3
109.02890	13.1
112.03960	3.5
113.04252	3.6
115.03875	2.3
116.01684	12.5
116.98615	2.4
119.04910	3.1
119.08604	2.1
121.02846	2.3
121.06485	2.7
123.04448	9.2
125.02351	12.2
127.03905	20.1
129.06596	2.0
130.05000	3.7
130.06850	3.2
133.04958	4.9
135.04411	2.2
137.05945	5.2
138.05473	2.8
139.03894	2.5
139.07491	2.8
141.05431	3.8
143.03430	15.3
144.01132	3.3
145.04962	8.7
147.04402	4.2
149.06036	1.9
150.07608	2.6
150.85368	1.8
151.03923	3.0
151.07501	2.9
153.01828	100.0
153.02888	4.9
154.02147	2.9
155.06964	2.2
156.08414	15.5
156.10229	8.9
157.06828	5.6
161.05864	2.6
162.02167	12.2
163.06027	3.0
163.07498	2.6
165.05501	2.6
167.07094	11.3
169.04961	10.7
171.02911	8.0
174.09494	8.6
179.04858	3.4
180.07895	2.8
183.06360	2.1
207.06615	2.5
216.06900	4.1
225.07617	3.1
240.56926	2.2
244.05864	7.5
245.75171	1.9
259.11124	66.3
297.06052	2.5
315.07117	5.8
331.13367	3.3
373.12692	7.1
405.02255	4.9
405.13336	27.4
405.17139	67.3
406.10349	9.7
406.14084	2.4
406.17261	4.2
425.95718	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	405.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33089	0.6
53.03941	2.0
55.01863	2.5
57.03443	8.6
57.10859	0.6
61.02933	4.7
68.79130	0.6
68.99784	1.9
69.03431	15.0
69.41035	4.2
71.01350	0.8
71.04985	2.3
73.02908	2.7
75.04453	1.5
75.77579	0.6
79.74052	0.6
81.03417	11.5
83.01317	1.0
83.04957	1.8
85.02905	53.8
86.03245	0.8
87.04473	2.0
91.03952	2.2
95.04967	1.1
97.02260	0.9
97.02892	16.6
99.04439	4.6
103.03957	1.4
107.04943	0.8
109.02878	20.3
111.00813	5.5
111.04399	1.3
115.03924	0.9
117.05490	2.2
123.04440	0.9
126.03133	12.1
127.03922	15.6
137.05957	1.1
141.05461	42.4
142.05807	1.3
145.04956	15.2
146.76738	0.6
147.77486	0.7
153.01698	1.5
153.05511	0.8
154.02623	1.0
154.56154	0.6
156.08470	0.9
163.06001	2.7
167.07028	3.8
168.67374	0.6
169.04961	100.0
170.05296	3.2
177.05450	1.3
177.08965	0.7
211.06007	2.8
217.88478	0.7
225.07477	0.6
227.09117	1.7
243.08665	1.0
259.11090	2.2
262.88553	0.6
304.08554	0.6
375.00885	0.7
389.77908	0.7
405.17392	13.3
405.21918	1.0
406.18008	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1541
Annotation	Nitidanin
Peak:m/z	Relative Intensity
53.03944	3.9
55.01866	2.8
57.03429	0.7
59.54161	0.5
65.03941	6.5
66.78712	0.5
67.05499	4.3
69.03425	1.7
69.07036	0.6
70.49498	1.8
70.94571	0.5
75.04471	0.6
79.05494	3.5
81.03434	0.6
81.07043	2.0
82.04198	3.1
85.02899	4.6
91.05466	5.9
93.03410	3.4
93.07023	1.2
95.04963	17.5
95.08615	0.7
97.02896	1.0
97.06522	2.6
103.05463	2.0
105.04504	0.8
105.07022	2.4
106.04179	2.2
107.04944	3.0
108.02077	1.4
109.06493	0.8
110.03672	4.4
110.66063	0.8
111.04430	1.6
115.05450	0.9
117.07008	2.0
119.04953	3.3
119.08569	1.1
121.06498	6.1
123.00780	0.7
123.04425	18.1
123.08040	1.1
124.05175	1.0
125.05975	2.5
131.04935	1.6
131.08533	1.0
132.05623	0.6
133.02882	0.8
133.06442	2.2
135.04399	1.0
135.08041	0.7
136.05289	0.7
137.02304	1.0
137.05978	4.6
138.03128	2.3
140.04659	4.1
142.02600	2.7
145.06497	1.3
146.03470	0.6
147.04388	2.2
147.08058	2.3
149.05965	11.9
149.09584	1.2
151.03888	3.4
151.07515	2.5
153.05447	2.4
153.09064	1.3
155.07013	10.3
161.05965	5.2
162.06857	0.6
163.03925	1.3
163.07472	2.8
164.04594	0.8
165.05464	2.2
165.06854	1.1
165.09142	2.9
166.06151	0.7
167.07037	17.2
168.07300	0.8
171.04424	1.3
171.06535	5.0
173.06024	2.0
174.06798	1.0
175.07521	1.8
177.05479	20.2
177.09090	11.8
178.05859	1.5
178.09488	0.9
179.07025	6.7
181.04947	100.0
182.05325	4.1
183.06525	14.2
183.08081	1.0
189.09160	0.9
190.06175	1.3
191.07018	3.0
193.08585	8.2
195.06502	1.8
203.07092	1.7
205.08592	73.9
206.08939	4.3
207.06499	2.8
207.10098	1.0
209.08101	6.8
210.06720	0.6
211.07509	0.9
221.05959	4.4
221.08029	1.5
223.09583	1.5
233.08072	3.6
239.07063	1.3
243.10133	4.2
249.05550	2.1
249.09033	0.6
250.06277	1.0
251.06929	1.2
257.08054	1.4
265.05069	0.6
266.05737	6.3
267.06442	3.7
283.09857	0.9
295.05820	0.6
295.09695	0.7
299.08725	0.6
299.12518	0.9
311.06900	1.1
327.12253	1.2
329.08102	3.0
329.13916	0.8
331.11658	0.8
341.10245	0.8
357.07629	1.3
357.13248	5.7
358.08359	2.1
359.14844	4.0
369.13321	1.8
374.07965	1.5
375.08545	11.6
376.09003	1.2
387.14191	6.3
405.09769	18.9
405.15070	3.2
406.10400	3.0
406.15082	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.7
55.01859	0.6
55.05507	0.4
57.03430	1.9
61.02921	1.1
69.03426	3.0
70.06577	0.5
71.04977	0.5
71.31863	0.5
73.02951	0.5
75.04488	0.4
81.03414	2.9
85.02901	10.6
86.03227	0.6
86.09690	0.5
89.06040	0.6
97.02882	2.9
99.04462	1.0
107.04910	0.5
109.02879	4.3
111.00803	1.2
117.05525	0.8
121.02863	1.1
123.04450	0.6
126.03116	2.1
127.03918	3.9
139.03906	0.4
141.05455	8.1
145.04944	2.2
146.09705	0.5
147.10056	0.6
148.38455	0.4
153.01822	0.6
155.03462	0.6
156.06435	0.4
161.06006	1.3
167.07060	1.2
169.04953	17.5
170.05608	1.7
171.06468	0.4
172.05321	0.5
175.07568	0.4
203.07031	0.6
211.06032	0.8
225.11137	0.5
242.14154	0.5
243.12009	1.0
243.14253	0.5
269.08246	0.4
319.10056	0.9
347.13062	1.4
380.52130	0.4
387.16010	1.0
405.17294	100.0
406.11938	0.7
406.17780	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	405.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52315	1.8
53.03951	5.0
55.05505	4.0
57.03460	2.0
65.03927	3.0
67.05502	11.8
67.35445	1.9
69.03404	4.6
69.07081	2.5
69.25844	13.5
71.04993	5.4
76.29440	1.9
76.94970	1.9
79.05489	32.3
80.39415	1.8
81.07053	17.0
83.04967	4.2
85.02912	2.7
91.05471	13.1
93.07059	4.9
95.04974	7.1
95.08576	3.4
97.06525	5.8
99.04436	7.2
103.05437	3.2
104.97240	1.8
105.07011	14.5
107.04949	25.9
109.02847	2.4
109.06515	6.2
109.10144	31.6
110.10496	3.0
111.04409	3.7
117.07030	4.7
119.04951	4.6
119.08570	14.1
121.06508	5.5
123.04408	2.4
125.05983	4.9
128.06207	6.0
129.07014	5.5
131.04959	2.6
133.06503	2.9
133.10103	11.5
133.18321	1.7
135.08006	3.0
137.05998	9.7
137.09605	49.6
138.09949	3.5
143.08548	12.0
145.06480	3.1
145.10089	4.0
146.07288	3.0
147.08032	22.9
149.05983	2.7
151.03856	6.3
151.07524	9.0
153.05417	3.4
161.06070	4.0
161.09601	100.0
162.09937	4.4
163.07571	2.5
163.11116	4.4
165.05481	6.5
165.09106	92.7
166.09502	3.2
167.07074	9.7
174.06709	2.8
175.07561	2.3
179.07039	8.8
179.10722	11.5
181.04947	7.6
189.09093	17.6
195.06519	6.8
205.08534	2.2
207.06537	2.8
207.10141	68.6
208.10551	3.2
221.07857	2.4
225.07474	2.2
225.11198	17.3
233.08009	2.3
255.06572	2.7
287.12714	3.1
387.14465	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	405.1752
Annotation	6-Deoxylamioside
Peak:m/z	Relative Intensity
51.45448	2.3
53.03934	4.6
55.05502	6.1
55.80456	2.3
67.05515	13.0
69.03423	5.9
69.27156	20.1
71.04994	5.5
71.41720	2.4
77.03416	2.4
79.05476	31.7
80.06296	2.3
81.07051	13.2
83.04980	6.3
85.02904	2.6
91.05469	20.8
93.07045	7.2
95.04977	9.5
95.08624	3.8
97.06527	7.7
99.04449	9.2
105.07035	13.7
107.04944	31.8
107.08605	2.7
109.06529	6.1
109.10133	36.2
115.56037	2.5
117.06991	5.0
119.04916	5.7
119.08576	14.9
121.06512	4.7
123.04426	3.1
123.08068	3.4
125.05987	7.9
128.06229	5.9
129.07005	6.0
131.08641	3.6
133.06439	3.0
133.10126	15.1
136.05191	2.9
137.05966	13.2
137.09604	53.2
143.08540	13.9
146.07269	4.3
147.08026	29.6
149.06017	2.4
151.03885	6.9
151.07538	9.6
161.05949	6.1
161.09608	100.0
162.09940	5.1
165.05502	5.1
165.09105	87.2
167.03377	4.1
167.07054	10.8
179.06984	10.2
179.10709	11.3
181.04965	8.1
181.08650	3.5
189.09132	15.2
193.08577	2.6
195.06465	7.5
197.11827	2.7
207.10147	71.1
208.10519	3.3
210.06802	2.8
225.07614	5.9
225.11189	16.2
257.07895	2.8
326.56207	2.3
326.85489	2.7
353.80179	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	405.1907
Annotation	Myristicanol B
Peak:m/z	Relative Intensity
53.03931	1.5
65.03931	1.8
67.05502	1.5
69.07047	0.8
69.28780	5.6
78.04691	2.5
79.05476	6.4
81.03440	0.9
81.07037	1.3
83.08612	1.0
85.02876	0.9
91.05457	4.5
93.07034	0.9
95.04954	3.1
97.06510	0.8
97.51845	0.9
103.05468	1.5
105.07018	4.6
106.04153	1.2
107.04948	11.4
109.06525	2.3
115.05422	1.0
119.04910	2.0
121.06500	3.4
122.03646	0.8
123.04428	7.4
124.05202	3.2
125.06062	1.0
129.06938	1.4
131.04942	1.3
131.08530	1.1
133.06491	2.4
135.04405	0.9
135.08040	1.7
137.05980	7.4
139.07529	5.5
143.08513	1.4
145.06389	1.2
145.10141	1.6
147.04404	1.6
149.05968	2.1
150.06761	0.8
151.03915	6.8
151.07407	0.8
152.04604	2.1
153.05304	0.8
157.06494	1.4
158.07220	1.4
161.05956	1.3
163.03860	1.0
163.07507	1.7
165.05319	1.0
165.09097	1.5
167.07030	100.0
168.07324	3.7
172.05209	0.9
173.09605	1.5
175.07481	1.2
177.05452	2.7
179.07028	1.9
181.04961	11.9
181.08701	1.7
183.06561	1.4
189.09142	1.3
191.10719	1.0
193.08580	8.3
194.09331	4.7
195.10115	3.0
201.09106	3.6
203.07088	1.6
209.08035	0.9
211.09630	6.7
218.05786	1.1
219.10201	3.9
221.07939	1.2
233.08134	4.2
233.11716	2.3
251.12767	7.7
267.06274	1.0
331.12418	0.9
357.13217	1.4
369.13403	0.8
387.14041	2.3
405.09833	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	405.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.4
53.03948	2.0
55.01860	0.5
55.05500	0.4
65.03934	1.3
66.53573	0.3
67.05499	1.3
69.07061	3.1
70.38260	1.0
77.03925	0.4
78.04709	2.0
79.05495	5.9
80.89674	0.3
81.03423	0.4
81.07044	0.7
82.04196	0.5
83.04970	1.0
85.02890	1.1
91.05471	3.8
93.03386	0.6
93.07034	1.2
93.95661	0.3
94.04189	0.5
95.04395	0.5
95.04964	7.4
95.08562	0.7
96.05762	0.3
97.06528	0.8
98.23253	0.3
103.05473	3.3
105.03400	0.5
105.04498	0.9
105.07028	4.3
106.04169	1.1
107.04951	32.5
107.08585	0.7
108.05280	1.0
109.06518	0.4
110.03648	1.1
110.85981	0.3
111.04446	0.7
115.05450	2.5
117.07024	2.0
119.04927	0.4
119.08596	0.7
120.05718	1.1
121.06498	3.0
122.03624	0.5
123.04423	11.0
124.05233	3.0
125.05969	1.1
128.06242	0.7
129.06976	1.2
130.07819	1.4
131.04916	0.6
131.08559	2.1
133.02907	0.4
133.06500	0.8
133.10048	0.3
134.03622	0.3
135.04407	1.1
135.08051	5.4
136.08350	0.3
137.05969	3.1
138.03120	0.4
139.03857	0.5
140.04680	3.0
141.06976	0.3
142.02650	0.8
142.07298	0.3
143.08528	1.8
145.06458	1.2
145.07533	0.6
145.10117	5.1
147.04361	0.8
147.08041	0.8
148.05205	0.3
149.05989	0.9
151.03918	2.4
151.95502	0.3
152.04665	2.1
153.05432	1.0
154.06204	1.3
155.07016	4.0
155.08531	1.1
157.06512	0.5
158.07254	5.8
159.08084	1.7
159.11574	0.5
161.05905	0.8
161.09619	0.4
163.03874	0.8
163.07530	8.2
163.11156	1.6
166.06252	1.0
167.07028	100.0
168.07350	3.4
171.06529	1.0
171.07928	0.5
173.09607	8.1
174.09937	0.5
175.07541	1.0
177.05443	0.7
177.09067	0.6
180.07817	1.8
181.04953	22.4
181.08572	12.7
181.10243	0.4
182.05302	1.1
182.08913	0.4
183.06535	6.9
183.09128	0.6
186.06754	1.1
189.09065	1.6
191.10657	4.1
192.07820	0.8
192.10947	0.4
195.10159	17.3
196.10573	0.6
201.09093	14.7
202.09457	0.9
207.10190	0.9
211.09544	0.7
218.09398	0.5
219.10147	19.3
220.10513	1.2
221.11609	0.9
223.13274	4.0
233.11705	8.0
234.12000	0.6
237.11269	0.3
251.12775	33.8
252.13155	2.8
263.10703	0.6
281.33057	0.3
291.10046	0.3
309.11176	0.5
323.12729	0.8
355.15369	2.0
376.41516	0.3
387.17981	0.9
402.27655	0.4
405.09637	0.3
405.18631	0.6
405.27240	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.5
55.01864	1.1
56.45631	0.6
65.03925	1.5
67.05480	1.7
69.07063	3.7
70.23177	1.2
70.23542	1.1
77.03921	0.5
78.04702	1.9
79.05481	6.7
81.03396	0.6
81.07037	0.8
87.24764	0.5
91.05464	3.7
93.03366	0.8
93.07028	1.6
95.04967	6.6
95.08546	0.9
97.06532	0.7
103.05462	3.2
105.04486	0.7
105.07021	4.5
106.04183	1.1
107.04948	30.7
107.08632	0.7
108.05283	1.0
109.06515	0.9
115.05426	2.6
117.07009	1.1
119.08549	0.7
120.05726	0.7
121.06490	4.1
122.03683	0.6
123.03602	0.9
123.04420	9.7
124.05179	2.0
125.06014	1.5
129.07019	0.6
130.07751	2.1
131.08543	1.7
135.08032	5.7
137.05984	3.1
140.04671	2.4
143.08604	1.1
145.06499	1.2
145.10114	4.8
147.04419	1.3
147.07991	1.2
149.05948	1.6
151.03877	1.7
152.04633	2.1
153.05460	1.0
154.06178	1.3
155.07011	4.4
155.08479	1.5
157.06447	0.8
158.07210	4.0
159.07976	2.5
161.05928	1.0
163.03906	1.0
163.07532	7.0
163.11241	1.6
164.47937	0.6
166.06256	1.6
167.07024	100.0
168.07372	3.4
173.09598	9.1
174.09975	0.7
175.07468	0.8
177.05489	1.4
177.09120	0.8
180.07802	1.5
181.04955	21.4
181.08554	12.5
182.09018	0.6
183.06525	6.8
183.09120	0.7
189.09128	2.1
191.10612	3.8
192.07735	0.8
195.10158	16.7
195.11932	1.0
201.09094	15.7
202.09467	1.4
211.09772	1.0
219.10132	21.5
220.10483	1.8
223.13324	3.3
233.11707	9.3
234.12100	0.7
237.11235	0.6
251.12772	38.9
252.13101	2.1
355.15393	1.8
387.18005	0.6
405.09628	0.8
405.18774	1.1
406.35031	1.7
426.99905	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05179	4.9
53.03944	4.8
53.98757	4.2
54.40481	4.3
55.05497	9.9
57.07064	10.0
60.53455	4.6
67.05493	8.8
69.07083	8.6
70.06577	26.2
71.08648	6.4
71.32792	6.0
71.33171	5.9
71.81857	4.4
72.08173	4.8
79.05486	21.6
79.70694	4.5
81.07056	16.1
84.08130	6.4
88.07613	12.0
91.05471	14.6
93.07019	13.1
95.08612	16.7
95.88425	4.8
97.72847	5.3
98.81308	4.5
103.05502	10.4
105.07030	17.0
107.04954	63.0
107.08597	13.1
109.10097	5.5
119.08600	9.4
121.10147	10.3
123.04483	9.7
131.08577	5.4
132.10162	6.4
133.10110	11.3
135.08076	21.2
143.08543	5.6
145.10114	10.6
146.11761	7.4
147.11661	7.6
149.05963	7.1
149.13240	5.1
156.09430	5.7
159.11716	8.4
161.13272	5.9
163.07503	23.1
167.07011	63.4
170.10988	5.1
171.11678	9.4
173.13277	8.4
180.07814	6.1
181.08578	14.3
183.11737	8.1
187.14804	8.9
195.10164	94.3
195.11877	3.9
196.10504	8.0
199.14825	5.5
211.09683	13.1
241.19586	6.5
256.26270	13.2
300.28864	27.9
344.31635	12.8
347.09045	5.2
405.09644	12.2
405.22610	6.2
405.31445	22.8
406.35278	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00191	5.7
54.04239	6.4
55.05500	9.5
67.05501	12.5
69.07072	10.9
69.67388	32.8
70.06586	20.1
79.05482	24.8
81.07053	20.5
84.12862	6.5
91.05470	21.7
93.07030	20.7
95.08591	24.2
96.72749	6.4
97.06508	8.3
103.05479	12.3
105.07018	21.8
107.04937	57.6
107.08585	17.6
109.06476	6.7
119.08553	7.0
121.10149	12.6
129.07005	8.2
131.08546	17.8
133.10143	14.6
135.08043	22.1
135.11641	7.4
137.05960	7.6
143.08600	8.9
145.10072	18.5
146.11696	7.3
147.11671	9.0
149.13313	9.2
154.06261	6.2
157.10086	10.1
159.11627	7.3
163.07538	21.2
167.07034	68.8
181.04907	8.0
181.08571	7.4
185.13249	14.4
187.14833	9.2
192.62737	7.6
195.10168	100.0
199.14769	7.2
211.09613	10.3
251.12682	13.5
256.26328	13.6
300.29019	23.0
344.31619	11.4
375.08600	13.4
405.09686	13.7
405.18625	17.5
405.27029	10.0
405.31537	25.1
406.35239	87.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.4
55.01856	1.0
58.68375	0.7
59.06443	0.8
62.93550	0.6
64.20438	0.6
65.03931	1.3
67.05492	1.3
69.03410	0.7
71.32407	0.9
74.55601	0.6
75.16718	0.5
78.04704	2.6
79.05493	4.6
81.03438	1.0
81.07037	2.1
84.21701	0.6
85.02911	0.8
88.66287	0.7
91.05477	3.8
93.07057	1.1
94.04174	1.2
95.04949	1.9
99.94447	0.7
100.11193	1.2
103.05479	2.1
105.07068	3.5
106.04192	1.2
107.04975	5.0
109.02874	0.9
109.06520	1.6
110.03754	0.7
111.08049	1.0
115.05471	1.3
119.04929	1.9
121.06496	3.0
122.03665	0.9
123.04429	5.3
124.05254	4.2
125.05985	0.7
131.04930	1.1
133.06456	1.7
134.03648	0.8
137.05980	6.7
139.07539	5.7
147.04395	2.2
149.05949	1.4
151.03888	2.7
151.07549	1.5
152.04674	2.1
153.05421	0.8
157.06445	1.3
161.05971	2.1
165.09102	1.1
167.07034	100.0
168.06131	0.8
168.07318	4.5
172.05185	1.2
177.05461	3.4
179.07030	2.4
181.04961	10.9
181.08597	0.8
191.06970	1.4
193.08571	6.9
194.09421	3.9
195.06502	0.9
203.06976	1.9
205.08582	1.0
209.08131	1.9
211.09601	4.8
231.93967	0.7
233.08054	5.0
266.05838	0.9
309.11212	0.9
357.13303	0.8
369.13495	1.1
387.14407	3.2
405.09732	1.1
405.15018	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.3
55.01852	0.5
55.05500	0.6
60.00745	0.4
62.57721	0.4
65.03936	0.8
67.05514	1.0
69.03471	0.4
69.24179	3.5
77.03939	0.4
77.93200	0.4
78.04698	2.4
79.05485	4.4
81.03416	0.5
81.07045	1.4
83.04935	0.4
89.47121	0.4
90.42280	0.4
91.05471	1.5
91.42343	0.4
93.03408	0.6
93.07044	0.9
95.04951	1.5
95.08565	0.5
96.05741	0.5
103.05462	1.4
105.03326	0.6
105.07043	2.9
106.04147	1.2
107.04969	3.9
107.08546	0.4
109.02912	0.6
109.06502	1.3
111.08073	0.8
115.05434	0.5
118.55612	0.4
119.04929	0.7
119.08483	0.5
121.06507	2.3
121.10135	0.5
123.04435	5.8
124.05238	3.2
125.05999	0.5
129.06966	0.5
131.04939	1.0
133.06493	1.5
134.03639	0.6
135.08090	0.7
137.05966	2.2
139.07544	4.8
147.04355	0.6
149.05968	0.9
151.03827	1.0
151.07538	1.0
152.04642	1.9
157.04941	0.8
161.06009	0.6
163.07632	0.8
165.09108	1.0
167.03400	9.9
167.07027	100.0
168.07381	4.2
177.05521	2.4
178.06129	0.6
179.07005	1.5
181.04951	4.7
181.08618	0.7
193.08575	6.4
194.09389	3.6
195.09834	0.5
205.08424	0.6
209.08107	0.8
211.09659	5.5
213.11229	0.9
251.09114	7.0
265.10706	1.9
266.05688	0.5
312.69589	0.5
375.08371	0.7
405.09445	1.2
405.14938	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1906
Annotation	Cochliomycin A
Peak:m/z	Relative Intensity
53.03946	1.7
55.01856	0.8
55.05491	0.4
65.03945	1.9
65.20850	0.3
66.04707	0.4
67.05510	1.5
69.04028	0.8
69.04435	2.4
69.07063	2.9
69.67065	0.3
77.03915	0.4
78.04700	2.1
79.05494	5.6
81.03413	0.7
81.07066	0.5
82.04201	0.4
85.02901	0.9
91.05470	4.3
93.03389	0.7
93.07033	1.9
94.04192	0.5
95.04967	7.1
97.06535	0.6
103.05477	2.9
105.04504	0.9
105.07026	4.3
106.04178	1.0
106.07328	0.4
107.04951	30.3
107.08591	0.5
108.05315	0.6
109.06474	0.6
110.03646	1.0
111.04448	0.4
114.09157	0.4
115.05445	2.4
117.07003	1.3
119.04935	0.6
120.05707	1.0
121.06494	2.9
122.03635	0.7
123.04426	10.3
124.05228	2.6
125.05991	1.7
128.06210	0.6
129.06978	1.2
130.07759	1.3
131.04915	0.9
131.08577	1.9
133.06471	0.6
134.03644	0.6
135.04391	1.2
135.08038	5.6
137.05959	3.7
138.03087	0.3
139.03929	0.5
140.04666	3.0
141.06967	0.4
142.02641	0.4
143.08572	2.8
145.06441	1.0
145.07541	0.5
145.10124	5.3
147.04381	1.3
147.08041	0.5
148.05223	0.5
149.05946	1.3
151.03865	1.8
151.07547	0.7
152.04681	2.0
153.05440	1.2
153.06950	0.6
154.06238	1.1
154.07390	0.3
155.07014	4.7
155.08519	2.0
158.07268	5.5
159.08049	1.6
161.05960	0.4
163.03963	0.7
163.07535	8.2
163.11172	1.1
164.08054	0.4
165.05472	0.6
166.06252	1.1
167.07027	100.0
168.07361	3.5
171.06519	0.6
173.09605	10.3
174.09969	0.7
175.07527	0.9
177.05463	0.9
179.06979	0.4
180.07898	2.1
181.04950	20.2
181.08572	11.8
182.05318	1.1
183.06523	6.5
183.09187	0.9
184.06847	0.5
186.06752	1.0
189.05600	0.3
189.09047	1.8
191.10645	3.9
192.07785	0.6
193.08598	0.7
193.10226	0.3
195.10158	17.7
196.10538	0.8
201.09094	19.9
202.09370	0.7
205.08562	0.5
207.10146	1.2
211.09641	0.6
218.09439	0.6
219.10153	21.2
220.10509	0.7
221.11737	0.9
223.13263	3.1
233.11719	11.0
248.08328	0.5
251.12781	35.4
252.13058	1.8
263.10645	0.5
323.12747	0.7
355.15399	2.3
375.08844	0.3
387.17984	0.9
405.09882	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.1
55.01865	2.9
57.03436	4.2
59.51162	1.1
65.03938	2.6
69.06682	1.1
69.07134	1.5
70.88730	2.9
78.04713	2.4
79.05482	8.3
81.07042	4.0
83.04955	1.3
85.02883	1.7
91.05474	31.6
91.06042	1.6
93.07039	3.8
94.04161	4.1
95.04971	8.1
95.08602	1.9
103.05459	9.4
105.07030	11.9
106.04154	1.9
107.04944	17.2
107.08570	8.2
109.06502	6.4
111.04461	2.1
115.05469	4.9
117.07019	4.1
118.04202	1.7
119.04941	22.0
119.08640	1.6
120.05241	1.2
121.06512	9.8
122.03623	6.9
123.04433	10.8
123.08002	1.2
124.05212	2.5
125.06049	1.5
128.06233	5.2
129.07002	17.1
131.04922	11.4
131.08563	2.2
133.06488	9.3
135.04375	1.8
135.08061	7.2
136.05191	4.6
137.05974	75.3
138.06262	1.5
141.06949	1.2
143.04932	2.2
145.06512	6.5
146.03603	1.9
146.07327	1.3
147.04446	4.0
147.08084	3.8
149.05994	15.1
150.06763	2.7
151.03923	6.9
151.07539	100.0
152.04573	1.9
152.06226	2.4
152.07951	2.4
153.05443	1.8
156.05728	1.8
157.06487	14.1
158.07251	2.2
159.08087	2.2
160.05261	1.9
161.05965	18.9
161.09622	4.1
162.06686	2.0
163.07550	26.3
165.05702	2.2
165.06970	8.8
165.09145	4.4
166.07739	3.8
167.07048	67.5
167.08549	15.2
168.07434	3.1
169.06485	1.7
173.06017	1.7
174.06717	9.1
175.07520	10.1
176.27269	1.1
177.05537	2.9
177.09106	4.4
178.07802	3.5
179.06995	4.6
179.08496	3.0
179.14299	3.6
181.04999	2.7
181.06488	4.1
181.08571	5.1
182.07321	1.8
187.07518	2.5
189.09091	37.0
191.07008	1.6
191.08607	1.7
192.09412	1.8
193.06528	7.0
193.08603	15.7
193.10147	6.2
194.07254	2.3
195.08066	20.0
195.09938	2.3
196.08644	2.1
197.06000	5.4
197.09654	1.9
199.07611	1.5
201.09290	1.4
203.08633	3.2
205.06642	1.4
207.08127	2.9
207.10188	4.9
209.05966	1.6
209.09647	3.3
210.06746	6.9
211.07567	4.4
212.08307	5.3
212.19157	1.4
213.09111	2.3
219.08061	2.7
219.97879	1.2
220.08838	2.4
221.06107	8.7
221.09605	9.4
222.06729	2.0
222.10092	1.3
223.07512	8.5
224.08310	3.3
225.05573	2.8
225.09119	12.6
225.11084	2.1
227.07115	3.4
227.10640	22.0
228.10985	1.9
234.06668	1.5
235.07677	1.6
237.09175	3.6
238.06219	2.7
238.09756	1.7
239.07101	6.9
239.10611	1.8
240.07834	4.4
241.08533	3.9
247.07330	1.6
249.09010	3.7
251.06964	1.8
252.07790	2.3
253.08583	13.6
253.12225	13.5
254.09264	2.0
255.06506	2.2
255.10132	24.2
256.10657	3.1
257.08139	1.5
263.10745	1.9
265.08289	1.5
267.10184	9.8
269.08102	3.7
269.11670	2.4
270.08975	2.6
271.09668	3.4
272.10312	6.9
273.11069	1.8
281.11652	6.9
283.09561	2.5
285.11182	17.9
286.11896	5.3
287.12753	37.1
288.13071	3.7
295.05646	1.4
297.11029	1.7
298.11963	3.4
299.12869	1.4
301.14322	2.4
311.12741	1.7
313.14337	18.9
316.13037	4.5
330.14606	19.5
331.15134	9.0
405.14935	1.6
405.19418	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61409	0.7
56.96542	0.7
58.06593	11.4
58.37984	0.9
59.07370	5.0
60.08160	7.8
64.14246	0.7
67.04230	1.6
70.06593	11.0
70.77330	1.6
71.04976	1.1
83.99100	1.5
86.00632	0.9
93.04507	0.8
93.10043	0.7
95.46700	0.7
97.02865	1.1
97.04004	2.7
98.00658	0.6
109.03966	1.1
112.08708	3.2
113.10767	0.7
114.00140	0.8
125.01662	0.9
130.09750	10.6
141.01163	29.0
142.01608	0.7
143.02705	2.9
153.01823	5.2
157.00624	1.6
166.99072	1.9
170.06059	1.1
171.04375	1.5
175.11823	1.4
178.53999	0.7
185.00136	2.1
185.06198	5.3
187.08603	1.0
189.05490	1.3
200.08511	100.0
201.09003	4.4
202.10104	3.5
213.06575	1.9
214.05055	0.9
231.07651	5.5
232.06049	0.8
232.11134	2.7
238.18143	0.7
244.07486	19.1
245.07939	1.1
246.08980	0.8
249.08644	1.8
276.10104	95.0
277.10425	4.9
387.07919	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.3
55.01869	0.4
55.05516	1.1
57.03420	0.2
57.07080	2.8
59.04999	0.4
64.20428	0.2
65.03943	0.2
67.01863	0.6
67.05509	2.6
67.62679	0.1
68.19524	0.1
68.99795	1.1
69.03425	0.6
69.07080	1.1
71.01356	0.6
71.05009	0.4
72.36228	0.1
79.05493	1.9
81.03429	0.3
81.07060	6.1
82.07397	0.2
83.04995	0.8
83.08611	0.7
85.02902	0.4
85.06528	1.2
87.00811	1.0
87.04490	0.3
91.05487	1.5
93.07039	1.9
95.04970	0.9
95.08605	4.1
97.06538	2.7
97.10174	0.3
99.04436	0.2
103.05464	0.2
104.30590	0.2
105.07035	3.2
105.87474	0.2
107.04988	0.3
107.08598	1.7
109.02925	0.2
109.06532	1.6
109.10154	1.2
111.04453	0.4
111.08073	0.3
113.02373	0.4
113.06015	0.4
117.07015	0.4
119.08603	0.9
121.06522	0.4
121.10143	2.4
123.04424	0.3
123.08051	1.5
123.11705	1.3
126.03150	2.1
127.03928	2.2
127.07558	2.1
129.07022	0.3
131.08586	0.8
133.06490	0.4
133.10126	1.3
135.08040	0.6
135.11688	0.4
137.09602	0.7
139.03917	0.8
139.07500	0.3
139.11197	2.4
140.04668	1.5
141.09122	0.6
143.08533	0.5
145.10136	0.6
147.11694	0.7
149.09596	0.9
149.13242	0.5
150.10384	0.6
151.07523	0.4
151.11134	0.5
153.09174	0.3
155.07033	13.8
156.07378	0.5
157.10110	0.5
159.08121	0.2
159.11684	0.6
161.13252	0.4
163.11195	0.2
163.14832	0.4
167.07056	0.9
167.10701	0.9
169.08603	100.0
170.08955	4.4
171.11697	0.3
173.13258	0.6
175.11230	0.3
175.14871	0.4
177.09085	0.2
181.08621	1.5
181.12202	0.2
183.10226	1.3
183.11652	0.3
187.14835	0.4
191.14322	0.4
195.10260	0.3
195.13850	0.2
197.13272	0.3
201.12784	0.2
203.14429	0.2
209.13565	0.2
209.15297	0.8
211.05965	0.3
213.16280	0.3
223.13295	5.6
224.13635	0.4
237.14838	2.9
249.11209	0.4
251.12729	0.3
251.16463	0.3
327.17288	0.2
405.14023	0.3
405.22665	8.1
405.31274	0.8
406.22928	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2633
Annotation	Lucidone C
Peak:m/z	Relative Intensity
53.03930	2.7
55.01869	10.9
55.05507	23.9
57.03433	1.9
57.07059	6.1
57.64027	1.3
59.04988	3.3
65.03928	4.3
67.05502	84.2
68.05833	2.7
69.03425	9.1
69.04981	8.0
69.05411	5.6
69.07065	25.8
71.04992	9.0
71.08615	1.3
79.05486	27.4
79.05938	1.5
80.06274	1.6
81.03416	5.0
81.07055	63.0
83.04997	6.8
83.08609	9.4
85.06544	2.1
85.34176	1.4
87.04461	3.4
91.05474	22.9
93.07043	46.1
94.13851	1.3
95.04966	7.3
95.08603	100.0
96.08926	3.9
97.02856	1.4
97.06524	11.6
97.10172	7.1
99.04472	1.9
102.91961	1.5
105.07028	26.1
107.04964	4.1
107.08588	25.3
109.06521	11.4
109.10155	38.1
111.04446	3.5
111.08100	6.6
111.11678	2.3
117.07045	7.6
119.08590	19.6
121.06491	8.8
121.10139	35.8
123.04411	3.0
123.08105	7.3
123.11703	35.7
124.11998	2.3
124.24362	1.4
125.05978	4.7
125.09615	5.4
128.06190	2.6
129.07010	4.6
129.68863	1.5
130.07785	1.5
131.08588	10.4
133.06438	1.9
133.10117	31.7
135.08035	4.9
135.11694	12.6
137.05934	4.1
137.09605	35.6
137.13235	2.5
137.80565	1.5
139.07562	2.3
139.11197	18.7
141.06944	2.5
142.07768	1.9
143.08601	6.5
145.06442	2.9
145.10123	13.1
146.07251	2.3
147.08044	4.6
147.11693	9.8
149.06017	3.0
149.09631	9.1
149.13260	3.9
150.10449	3.2
151.07532	2.5
151.11160	19.5
153.09117	2.9
153.12759	1.9
155.08511	3.0
157.10123	9.0
159.11667	7.5
161.09615	32.8
161.13240	5.6
162.10091	1.4
163.11189	4.0
163.14880	1.7
165.09053	3.7
165.12807	2.3
167.10683	8.8
169.10120	3.3
171.11674	5.7
173.09602	1.7
173.13275	6.6
175.11172	2.8
175.14816	3.6
177.09076	2.8
177.12798	1.7
179.10661	50.5
179.14287	1.6
180.11107	2.2
181.12222	2.4
183.11746	3.6
185.13283	5.0
187.11241	2.9
187.14830	3.5
188.11748	1.5
189.12791	4.2
189.16309	1.9
191.10666	4.6
191.14304	2.4
193.08557	1.9
193.12238	4.5
193.15819	1.4
195.10156	4.6
195.11841	1.7
197.09695	1.3
197.13139	3.2
199.14828	1.6
201.12633	2.4
201.16319	3.2
203.14302	13.2
203.17899	1.5
205.12260	3.6
205.15863	2.3
207.10150	27.6
207.13780	5.8
209.11716	5.3
209.15387	4.5
211.14793	3.5
213.16415	3.4
217.15945	1.5
221.11774	2.4
221.15349	38.1
222.15881	2.0
223.16869	2.0
227.17854	2.4
229.15924	2.1
231.17555	1.9
233.11597	1.6
233.15251	1.9
235.09700	2.2
235.13249	22.3
237.11159	3.3
237.14793	31.4
238.15257	2.6
243.13782	2.2
247.16866	1.9
249.14842	54.1
250.15280	4.1
251.16245	3.3
253.19496	2.0
259.20767	1.8
263.16556	1.3
265.14337	3.0
267.17548	1.8
275.16422	2.8
289.14322	2.2
292.16663	2.9
293.17477	5.0
299.19858	2.7
305.17456	24.3
306.17661	1.7
317.21194	2.5
319.18939	2.1
327.19495	5.6
330.07819	1.4
333.20612	3.3
345.20551	16.2
346.20999	2.1
351.23105	1.7
369.24011	3.4
371.25815	9.3
372.26428	2.0
387.25204	5.4
387.29486	2.0
388.25986	6.4
405.26291	77.5
405.30841	6.9
405.35172	3.8
406.26846	8.7
415.35516	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	10.0
55.01876	12.1
55.05510	69.3
57.03421	2.3
57.07063	6.5
59.04993	5.6
60.37778	1.9
65.03933	5.3
67.05162	3.4
67.05507	67.1
67.05863	3.6
69.03429	7.3
69.07064	16.4
69.55504	8.7
71.04986	7.7
79.05498	25.0
81.03423	4.3
81.07058	69.2
83.04979	29.6
83.08623	61.1
87.04444	3.0
91.05479	18.4
93.07051	43.3
95.04954	6.9
95.08607	62.6
97.06535	14.3
97.10168	3.2
105.07024	26.0
107.04992	4.5
107.08595	26.6
109.06533	11.9
109.10161	39.4
111.04442	2.6
111.08070	7.0
112.99982	3.0
115.65920	2.0
117.07001	5.0
119.08581	18.6
121.06515	5.1
121.10137	31.7
122.78626	2.3
123.08056	8.9
123.11714	45.4
125.06004	3.2
125.09615	3.9
129.06958	2.3
131.08527	10.0
133.10136	33.7
135.08046	8.0
135.11693	16.3
137.06015	2.5
137.09616	47.6
139.07477	2.3
139.11192	15.4
143.08548	6.2
145.06482	3.9
145.10133	12.8
147.08026	5.7
147.11700	7.5
149.05972	3.2
149.09624	14.8
149.13226	5.1
151.07678	2.9
151.11200	21.5
155.08510	2.2
157.10100	4.0
159.11693	6.2
161.09604	21.4
161.13242	4.0
163.07552	3.9
163.11160	4.3
163.14787	3.5
165.09111	7.1
167.10727	14.9
169.10112	2.7
171.11719	3.3
173.13248	6.1
175.11159	4.1
175.14775	3.8
177.09167	3.7
177.12767	4.4
179.06935	1.9
179.10669	39.0
180.11017	3.1
181.12189	2.8
187.14935	4.0
189.12778	3.3
191.10692	2.6
191.14307	2.8
193.12271	7.4
193.15959	2.9
195.10153	8.2
199.14749	3.3
203.14319	7.1
205.12236	4.3
207.10165	24.4
207.11992	3.1
207.13637	10.8
209.11761	5.0
209.15405	3.9
217.04182	3.6
219.10135	2.9
221.15388	24.0
223.09760	4.7
223.16986	3.1
229.15863	3.4
231.17432	3.4
233.11699	2.0
233.15517	2.7
235.13304	33.1
236.13680	3.6
237.11180	7.5
237.14842	45.3
247.17017	2.9
249.14873	42.8
250.15291	3.9
261.14893	2.5
265.14401	5.1
265.93228	2.1
275.16580	2.7
289.14374	3.1
293.07074	3.1
293.17471	3.8
299.20041	3.5
299.37390	2.1
305.17480	55.0
306.17752	3.1
317.21036	3.2
327.19543	6.9
333.20837	2.8
345.20688	28.4
346.21008	2.3
349.13718	2.5
367.00681	2.6
369.24033	2.0
371.25778	18.8
372.26099	3.2
387.25195	3.4
388.26260	11.0
405.20770	4.7
405.26321	100.0
405.30969	6.7
405.35379	4.3
406.26700	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.9
55.01869	7.1
55.05512	37.5
57.03424	8.2
57.07081	17.3
62.00021	4.8
65.03938	4.7
66.44093	4.8
67.05505	100.0
68.05863	4.8
69.03117	4.6
69.03420	32.0
69.07061	43.3
69.15539	35.3
69.15952	10.8
71.05001	11.5
71.08635	10.6
75.59000	4.7
79.05490	71.6
80.90381	5.2
81.03423	33.8
81.07058	87.8
83.04996	7.3
83.08598	29.2
85.02925	11.7
85.06540	8.1
91.05489	59.4
93.07043	87.5
95.04972	16.8
95.08602	77.2
97.02890	11.1
97.10164	6.0
105.07041	69.4
107.04964	6.8
107.08588	63.5
109.02876	14.8
109.06507	11.5
109.10165	57.1
111.04411	7.7
111.08094	9.9
115.05527	6.7
117.07021	30.2
119.08580	53.8
121.06484	10.6
121.10141	39.1
123.04456	8.6
123.08093	9.9
123.11668	11.5
125.05982	8.0
127.11158	39.0
128.06284	5.3
129.07008	12.7
131.08568	42.6
133.06516	9.0
133.10136	47.9
135.08022	6.6
135.11696	44.9
137.09619	9.2
139.07565	6.9
141.05440	9.7
141.06970	5.7
143.08592	14.5
145.10162	36.9
147.08080	7.8
147.11673	33.0
149.02361	26.2
149.09634	10.3
149.13283	15.6
155.08546	8.1
157.10152	23.7
159.08058	5.5
159.11705	24.0
161.06062	6.1
161.09630	6.0
161.13264	20.9
169.08684	7.0
169.10150	8.1
171.11696	19.9
173.09602	7.1
173.13269	20.4
175.14830	13.0
183.11668	10.2
185.13254	14.2
187.14827	12.1
199.14958	10.4
201.12614	7.0
201.16420	8.2
213.12758	6.1
227.18091	7.6
238.65404	5.6
261.22089	12.1
271.20529	5.6
273.22098	7.4
285.22299	5.1
289.21710	5.8
301.21817	6.6
303.23264	6.0
315.23358	12.4
341.24725	7.4
343.22598	5.7
351.23016	7.5
369.24344	28.1
370.24719	6.1
387.25208	23.9
405.26065	64.1
405.30994	16.6
406.26440	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	405.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.8
54.80307	3.3
55.01891	3.9
55.05514	27.0
65.03942	9.4
67.05504	82.8
69.03424	4.4
69.07068	38.7
69.30144	28.2
71.04987	10.3
76.20473	3.9
79.05495	37.1
81.03405	4.7
81.07056	96.5
82.07374	3.8
83.04976	9.6
83.08625	15.9
85.06537	5.0
91.05473	21.5
93.07042	42.3
95.04985	8.8
95.08606	97.2
97.06518	11.2
97.10175	9.4
105.07054	23.8
107.08582	32.4
109.10156	49.9
111.08102	5.1
111.11727	3.5
117.07052	5.2
119.08563	26.7
121.10160	34.2
122.03672	4.4
123.11666	23.4
125.09573	4.1
131.08557	18.4
133.10133	19.1
135.08040	6.7
135.11707	19.2
137.05984	21.3
137.09680	5.6
137.13249	10.0
139.11214	6.1
143.08586	8.3
145.10123	23.6
147.11705	16.9
149.09616	5.6
149.13245	7.0
151.03900	4.0
151.07681	5.4
151.11230	4.0
157.10072	7.6
159.11714	12.6
161.09520	3.8
161.13255	14.2
163.11113	5.2
163.14821	5.1
167.07056	15.5
169.10110	6.2
171.11690	5.4
173.11839	4.0
173.13330	11.6
181.04939	5.8
183.11700	5.6
185.13249	5.9
187.14862	17.2
189.09193	4.3
195.06621	4.9
199.14819	5.0
201.16350	8.2
202.16277	3.7
203.07114	4.0
209.13437	4.1
211.14819	6.2
213.16467	6.3
215.07047	4.2
243.21216	8.7
251.17789	3.8
261.22131	25.5
279.20129	5.6
279.23178	100.0
279.26093	7.8
280.23651	8.0
295.09677	4.1
297.24313	9.9
333.20392	10.9
349.30258	3.7
369.13181	7.8
405.19177	22.5
405.27563	13.0
405.31461	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	405.3148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.0
55.05513	9.1
56.48963	0.9
57.07079	5.4
58.06600	1.8
67.05508	10.2
69.03423	1.9
69.07062	11.1
70.06590	12.4
71.05001	1.4
71.08613	2.6
72.08145	2.4
77.03885	0.9
79.05489	8.7
81.07056	20.3
83.04980	12.7
83.08626	7.9
84.08144	2.8
86.09727	2.8
88.07629	3.8
89.06033	2.0
91.05476	13.2
93.07037	16.8
95.04965	4.2
95.08595	25.6
97.06530	3.0
97.10165	2.2
102.09174	1.4
105.07022	24.3
106.07347	1.2
107.04936	1.7
107.08583	24.4
109.06504	2.6
109.10159	15.7
111.04451	1.0
111.08105	2.3
114.09219	1.6
115.05431	1.4
117.07020	7.0
119.06107	1.2
119.08575	44.8
121.06469	2.2
121.10139	18.0
122.10468	1.1
123.08052	4.5
123.11684	5.9
125.09592	2.0
128.06236	2.5
129.06985	7.4
130.07777	2.9
131.08568	23.7
132.10184	5.0
133.10126	19.7
135.08057	2.5
135.11679	9.0
137.05916	1.1
137.09595	1.7
137.13232	2.0
139.11176	1.0
141.07005	2.1
142.07785	5.0
143.08562	18.3
144.09364	1.5
145.10120	75.5
146.10472	4.5
146.11763	5.5
147.08029	1.7
147.11676	10.6
149.09634	3.0
149.13216	5.8
151.03882	1.0
151.11177	1.5
153.05438	1.0
155.08534	6.8
156.09352	4.0
157.10118	19.6
158.10866	3.4
159.11676	19.3
160.11990	1.3
161.09608	2.3
161.13272	5.6
163.11197	1.6
163.14828	3.3
165.07004	1.0
165.09090	1.5
167.07074	1.1
167.08565	1.8
169.10127	7.4
170.10890	5.3
171.11693	12.7
172.12407	3.3
173.09639	1.3
173.13260	11.4
175.14793	9.4
177.09225	1.2
177.12843	1.1
177.16338	5.3
179.08640	0.9
181.04961	1.9
181.10130	2.1
181.76897	1.2
182.10876	1.7
183.11710	13.1
184.12370	1.3
185.13240	24.6
186.13713	1.4
187.14812	100.0
188.15201	5.2
189.12640	1.4
189.16351	5.6
191.14294	1.4
193.10165	1.8
193.15912	2.6
195.11725	3.7
197.13269	6.1
198.14024	1.6
199.11279	1.2
199.14795	24.1
200.15225	1.8
201.12827	2.4
201.16367	22.5
202.16769	1.4
203.14340	2.9
203.17993	3.0
205.15887	8.1
207.10091	1.5
207.11763	1.9
209.13310	4.4
209.75899	0.9
211.14742	6.7
212.23770	2.2
213.16354	10.7
215.14307	2.6
215.17935	2.2
217.15956	1.9
217.19392	1.1
221.13387	1.7
223.14819	4.3
225.16399	6.2
227.17905	5.3
229.15884	2.3
231.17384	5.6
235.14912	1.4
237.16458	5.4
238.16789	1.0
238.25304	1.2
239.17947	7.6
240.18385	1.1
241.19569	2.0
247.14926	1.0
249.16333	1.5
251.18117	4.7
253.19560	7.7
255.21059	2.1
256.26370	7.2
261.16531	1.3
263.12958	1.3
263.18118	1.9
265.19669	2.3
267.21094	3.1
277.19482	1.6
279.21158	1.4
281.22482	1.2
283.20511	1.2
291.21136	2.3
300.28952	23.5
305.22485	1.2
309.22244	3.0
317.22580	2.0
335.23566	1.9
344.31516	9.5
345.25885	1.2
363.26764	1.0
375.03528	1.4
377.31836	1.1
387.18225	1.2
387.25430	2.7
387.30423	8.0
405.07898	1.2
405.14249	1.0
405.22711	3.5
405.31528	62.3
406.35480	68.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.3151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.4
55.01866	0.9
55.05505	4.7
57.07084	1.6
67.05501	7.7
69.07071	7.9
70.41168	1.2
71.11454	1.4
79.03211	1.0
79.05488	6.4
81.07053	11.8
83.04962	1.4
83.08605	3.3
86.20829	0.8
89.71608	0.9
91.05463	5.8
93.07043	10.9
95.04968	1.3
95.08600	16.2
97.06529	1.4
97.10213	1.7
97.20654	1.0
101.03870	1.1
105.07035	10.6
107.08599	14.4
109.10153	14.3
111.08082	2.6
115.05400	2.3
117.07030	3.0
119.08582	15.2
120.08873	0.8
120.56920	0.9
121.06515	1.1
121.10149	10.5
123.08090	1.0
123.11708	5.2
128.06229	3.4
129.07033	4.0
130.54613	1.0
131.08577	7.5
133.10130	9.6
135.08046	5.4
135.11688	5.3
137.13237	1.0
141.07025	1.6
142.07762	10.7
142.14061	0.9
143.08557	20.3
144.05882	0.9
144.09352	1.5
145.10120	15.6
147.11667	5.9
149.09639	2.4
149.13272	3.9
151.11169	1.3
155.08556	9.2
156.09334	14.7
157.10117	25.9
158.10727	1.5
159.11697	13.6
161.13266	8.7
163.11197	3.3
163.14850	3.8
165.12779	1.2
167.07103	1.0
167.08530	1.1
168.09248	1.5
169.10078	8.1
170.10910	23.2
171.11682	16.4
173.13293	7.3
175.11192	1.2
175.14836	4.3
177.12756	2.1
177.16426	1.5
179.14378	2.4
181.10109	1.9
182.10864	1.5
183.11687	16.5
184.12424	3.6
185.13249	100.0
186.13617	6.0
187.14795	12.9
189.12741	1.7
189.16388	5.7
191.17928	3.9
193.10179	1.4
195.10190	1.9
195.11726	1.9
197.13251	7.2
199.14810	74.7
200.15144	4.8
201.12671	1.5
201.16347	5.7
203.14421	1.3
203.17966	1.0
205.15866	3.3
207.17480	4.0
209.13213	1.7
211.14874	4.5
213.16344	4.8
213.53447	1.0
215.14082	1.2
215.18010	1.6
215.88422	1.2
218.02725	1.1
219.11844	1.0
223.14787	2.4
225.16388	3.0
227.14392	1.1
227.18019	3.1
229.19383	1.2
231.17429	1.4
233.19064	1.6
235.14896	1.3
239.17928	3.4
241.19690	1.2
245.19022	2.1
249.16301	1.1
251.18008	1.0
253.19502	3.2
254.36536	1.0
267.21048	2.7
279.20850	1.2
283.20599	1.3
297.21921	1.4
319.23947	1.0
347.27496	1.1
349.25272	1.2
387.21399	1.2
387.30438	4.5
405.09326	1.4
405.22565	4.8
405.31506	57.0
406.31476	7.0
418.46759	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03399	0.5
58.99562	0.4
69.03403	0.5
70.54639	0.4
71.32545	0.7
79.05449	0.6
81.07029	0.7
84.04470	1.4
85.02885	1.1
91.05499	0.4
95.04940	0.5
97.02856	0.8
98.09615	0.6
102.05515	0.5
107.75141	0.4
116.01620	0.6
120.91026	0.4
123.04383	0.8
133.06491	0.4
135.04445	0.7
137.05914	1.3
151.07587	0.6
153.01816	0.8
156.08409	0.9
156.10194	0.5
157.06746	0.6
162.02190	0.8
167.07014	1.8
174.09557	0.4
185.04205	0.5
198.05272	8.7
203.03453	0.6
203.05234	1.1
209.11717	0.6
244.05789	57.7
245.04083	3.4
245.06247	1.8
255.37840	0.5
259.11136	5.0
372.02905	0.4
374.13132	1.0
406.11035	100.0
407.07306	1.2
407.11639	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03399	0.5
58.99562	0.4
69.03403	0.5
70.54639	0.4
71.32545	0.7
79.05449	0.6
81.07029	0.7
84.04470	1.4
85.02885	1.1
91.05499	0.4
95.04940	0.5
97.02856	0.8
98.09615	0.6
102.05515	0.5
107.75141	0.4
116.01620	0.6
120.91026	0.4
123.04383	0.8
133.06491	0.4
135.04445	0.7
137.05914	1.3
151.07587	0.6
153.01816	0.8
156.08409	0.9
156.10194	0.5
157.06746	0.6
162.02190	0.8
167.07014	1.8
174.09557	0.4
185.04205	0.5
198.05272	8.7
203.03453	0.6
203.05234	1.1
209.11717	0.6
244.05789	57.7
245.04083	3.4
245.06247	1.8
255.37840	0.5
259.11136	5.0
372.02905	0.4
374.13132	1.0
406.11035	100.0
407.07306	1.2
407.11639	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05402	1.9
64.79967	1.7
65.03934	3.5
70.89229	2.6
70.89559	4.2
79.05497	3.6
85.02917	3.4
91.05469	7.0
92.05853	2.1
95.05006	3.0
121.02866	100.0
121.06479	2.5
122.03185	4.0
123.04424	2.2
127.64874	2.4
135.04468	2.3
137.05949	6.2
139.03897	6.7
141.01772	2.5
149.06049	3.2
151.03889	8.3
151.07536	4.3
152.07890	2.4
161.05800	2.5
167.07013	20.0
179.06981	3.6
193.08678	3.9
207.13918	1.8
213.07550	15.3
241.08952	2.2
245.04488	2.4
245.08116	2.8
269.09335	3.8
278.23227	2.2
293.09134	2.4
297.08685	7.1
315.09714	4.4
333.10645	2.2
339.09677	4.7
389.13449	10.5
407.07690	3.3
421.88339	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93234	0.7
55.01869	2.7
55.05505	1.6
56.05044	7.5
57.03443	6.4
58.75623	0.7
58.99323	1.1
58.99592	12.8
67.05497	1.1
68.05030	1.9
69.07083	1.1
70.02937	0.9
70.80817	1.7
70.81163	1.0
73.01137	2.8
74.00665	1.6
76.01819	1.3
76.02231	23.4
76.04008	3.1
78.76994	0.8
79.05504	5.1
80.05032	1.0
81.07058	18.4
83.06127	1.1
84.04021	1.5
84.04507	26.5
84.08147	1.0
85.01131	3.8
85.02906	0.9
85.06543	1.9
85.65835	0.9
86.00661	4.3
86.99053	7.0
87.02695	6.9
88.02207	2.5
91.05499	0.8
93.07022	1.2
95.08616	4.5
96.08151	1.0
97.06548	2.0
98.09692	12.3
99.08102	4.4
100.02203	1.1
102.05554	6.1
105.07018	3.0
107.08613	1.2
108.08181	1.0
110.09679	2.4
112.03993	3.8
113.04257	6.6
115.05802	1.6
116.01681	25.5
122.09660	2.4
123.08043	1.4
127.05804	1.4
129.06589	3.6
130.05022	9.8
130.06859	5.2
130.08623	2.2
131.08553	5.0
133.47528	0.7
137.09760	1.0
139.05725	1.6
142.03227	2.4
143.02728	1.1
144.01143	10.0
145.06030	1.7
145.10130	1.0
149.09593	1.3
156.08421	22.7
156.10190	10.7
157.06815	9.8
162.02217	24.2
167.07066	2.7
170.02751	1.5
174.09485	16.1
179.04848	11.4
189.03253	1.9
191.10654	2.2
209.11743	7.7
210.11266	2.8
215.04921	1.3
216.06914	8.4
227.12807	1.8
233.05975	1.8
259.11124	100.0
260.11676	5.1
275.84723	1.0
277.12201	1.0
285.12735	2.1
308.09155	0.9
313.12143	2.9
318.11099	1.5
331.13269	5.9
332.13040	1.1
388.15213	1.6
406.16409	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	406.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
64.91518	6.0
65.03979	6.3
69.01375	61.7
69.07076	7.5
70.06597	7.6
71.04994	9.6
74.21718	6.6
77.12031	5.7
79.05495	13.5
81.03436	6.4
81.07061	14.2
83.34538	5.8
85.02895	11.9
86.09728	6.3
91.05485	16.9
93.07051	13.6
95.08578	7.9
97.02915	8.4
98.22484	12.7
105.07037	22.0
107.04926	10.9
107.08615	18.9
109.02856	7.1
109.06526	7.3
111.04511	8.8
116.01637	6.9
121.02863	67.0
121.06512	13.4
121.10111	16.5
124.03972	10.3
124.07581	6.3
127.03932	9.8
131.08553	45.6
133.10211	6.5
141.05365	6.7
144.76343	5.6
145.10150	16.6
149.09630	24.1
151.03824	7.8
163.11217	12.5
167.07076	14.5
191.10681	21.0
196.10561	6.6
209.08371	7.7
209.11722	81.7
210.74246	7.0
237.02832	7.8
245.04420	13.1
248.53853	7.8
259.11139	17.0
260.81229	7.2
269.09274	7.3
293.09213	8.2
297.08951	8.9
306.80099	6.8
333.10870	9.3
347.13675	15.4
348.53690	7.0
355.59537	6.6
365.42853	7.2
365.46924	6.1
371.12051	8.7
389.13177	23.3
406.17651	100.0
407.07748	8.4
407.17184	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	406.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	3.0
57.07055	3.5
67.05507	8.5
69.03416	4.5
69.07098	4.9
70.67445	3.3
70.67783	6.8
71.04990	8.5
74.38958	2.7
76.16973	2.7
78.98838	3.5
79.05491	12.3
81.07066	4.2
83.04971	6.3
83.82829	2.8
85.02898	16.0
85.06542	72.1
91.05483	9.9
93.07022	14.0
95.04939	4.0
97.02932	3.2
99.08095	5.0
105.07034	11.1
107.04976	5.2
107.08581	15.5
109.02904	2.8
111.04425	4.6
116.01663	5.0
119.08588	10.5
121.02872	11.5
121.06541	9.7
121.10146	12.6
125.06019	4.5
127.04018	4.6
129.07022	3.9
131.08565	50.6
135.11700	3.9
137.09566	6.0
140.82243	2.8
145.10133	17.5
147.08047	4.0
149.09608	39.8
163.11194	16.7
165.09135	7.1
167.06979	4.8
167.10640	26.0
173.09621	5.2
181.08592	4.3
191.10655	44.0
192.10974	3.9
209.11713	75.0
213.07591	2.9
227.12759	100.0
228.13297	6.3
245.04477	3.8
259.11093	14.5
407.07877	4.2
407.18741	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	406.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.2
55.05499	9.5
56.94036	2.5
57.03454	3.2
67.05495	10.6
69.03412	3.7
69.75888	14.8
71.04978	5.7
79.05484	6.7
81.07047	9.3
83.04987	11.1
85.02911	14.7
85.06542	6.9
91.05482	13.6
93.07037	12.2
95.04962	20.4
95.08593	7.9
97.02887	3.9
97.06528	9.3
98.97574	8.8
99.04443	3.7
99.08059	3.0
105.07007	28.4
107.08598	22.0
109.06506	7.8
109.10162	38.3
113.09636	12.3
119.08587	11.2
121.02866	8.1
121.10169	14.0
125.09638	7.1
127.03842	3.0
131.08580	16.0
133.10139	24.5
135.08047	6.8
138.35927	2.8
139.11153	5.3
145.10123	5.5
147.11671	12.0
149.09642	5.2
149.13289	13.7
151.11143	16.1
154.36647	2.8
158.99608	4.1
163.14807	6.8
167.07039	6.1
173.13249	17.1
181.04988	8.2
184.57350	3.2
191.14284	27.9
195.09119	3.1
209.11728	10.1
209.15355	100.0
210.15678	5.4
221.56177	2.7
245.04468	7.5
257.04623	3.1
273.00711	3.0
343.91812	3.0
379.08029	2.9
397.08435	2.6
407.07489	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	406.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.9
55.05504	10.2
57.03426	3.0
61.02939	2.0
65.03945	3.4
67.05499	11.1
69.03427	4.5
70.92844	4.8
70.93179	2.3
71.04987	6.5
79.05489	6.7
81.07056	9.9
83.04980	9.3
85.02904	19.6
85.06554	6.0
91.03972	2.2
91.05473	19.0
92.05817	4.1
93.06073	1.9
93.07032	16.5
95.04959	23.5
95.08594	6.0
97.02908	4.6
97.06524	9.2
97.10181	2.8
97.50660	2.3
98.97588	4.6
99.04410	2.7
99.08096	3.1
105.07024	32.8
107.04979	2.7
107.08571	16.8
109.06515	7.6
109.10152	37.6
111.08025	3.2
112.48966	2.4
113.09658	13.3
119.08578	10.1
121.02846	14.6
121.10130	13.3
123.04356	2.9
123.08027	2.9
125.09587	2.9
127.03936	3.8
131.08556	15.0
133.10118	20.7
135.08034	5.1
137.09555	2.8
139.11162	5.0
144.01260	2.3
145.10158	5.1
147.11685	12.7
149.09625	7.7
149.13254	16.6
151.11171	18.9
153.05475	2.7
161.05981	3.5
163.03851	2.5
163.07533	2.4
163.14835	8.5
165.12698	2.7
167.07045	11.7
169.12241	3.5
173.13251	15.7
181.04980	15.8
191.14285	34.5
192.14616	2.7
209.07976	2.8
209.15353	100.0
210.15706	6.3
227.16425	4.2
244.09708	3.1
245.04524	10.0
407.07715	5.3
407.17056	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70337	12.3
69.20637	100.0
74.20383	11.7
79.05497	13.9
81.07081	12.0
83.59086	11.9
85.06544	12.0
93.21346	12.8
95.01238	14.9
95.04967	21.2
98.22564	22.7
99.04546	17.2
105.07026	48.2
106.02930	20.8
107.04910	17.4
107.08649	17.5
119.08601	25.5
121.06529	18.9
121.10117	20.3
123.04435	19.1
124.03934	35.6
131.08606	22.2
133.10089	30.1
137.05998	37.3
147.04465	18.4
151.07550	38.0
151.11151	36.4
152.07866	14.7
161.06026	14.9
161.13226	46.0
163.07359	13.4
163.58813	14.0
167.07008	29.4
173.13271	40.6
178.50037	14.1
179.14384	18.5
190.09523	16.3
197.15462	18.3
206.68184	14.0
209.15407	23.2
227.16504	16.7
235.07141	13.5
251.15730	12.3
254.12836	14.0
269.12720	14.2
286.11597	12.9
361.02328	13.8
407.14771	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	13.5
64.96107	9.0
67.05516	17.3
70.27845	33.3
70.30061	8.8
78.29370	9.0
81.07047	15.3
83.08595	8.9
91.05470	12.1
93.07032	14.1
94.95403	9.7
95.04984	10.6
97.06538	12.6
107.04928	10.2
107.08594	16.3
109.06526	40.1
109.10173	15.2
119.08589	13.0
121.10246	10.2
123.04385	8.6
132.80608	8.6
133.10129	38.0
147.11650	24.2
153.09171	14.2
161.05942	11.1
167.07014	26.8
173.13263	18.6
175.07564	37.4
191.14296	27.4
193.08569	18.8
195.12259	8.1
209.15378	100.0
227.16341	34.7
238.92697	9.6
407.23480	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	406.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39503	1.5
55.05515	23.7
57.03440	2.1
59.05001	2.0
59.85979	1.7
61.90274	1.6
67.05503	5.6
67.47346	1.8
69.03426	3.9
69.07076	2.5
69.46326	9.4
71.04975	2.0
79.05505	3.3
81.07051	6.4
83.04985	24.0
83.08614	19.4
85.02915	5.2
89.06025	3.5
91.05483	6.1
93.07039	5.6
95.04947	3.4
95.08601	4.7
97.06545	3.2
97.10165	4.7
100.18223	1.8
103.36545	1.7
105.07063	4.6
106.02894	1.7
107.05007	2.1
107.08595	10.5
109.06493	3.5
109.10180	13.1
111.08083	3.8
119.08619	2.1
121.02932	1.8
121.10123	6.0
123.04381	1.9
123.11732	5.1
124.03979	5.2
125.09610	5.6
131.08620	1.8
133.10143	8.0
134.12254	1.8
135.08109	3.2
137.05959	2.9
145.10266	1.8
147.11652	2.6
149.13313	3.1
151.07581	2.5
151.11176	26.0
163.07465	2.5
165.09229	1.9
167.07045	19.4
167.14308	29.2
169.08678	2.2
173.13310	4.3
181.08513	2.0
191.14328	4.9
209.15369	100.0
210.15704	7.6
227.12871	1.8
227.16388	1.8
259.11255	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20060	0.7
53.03938	3.5
53.17145	0.7
55.01871	4.4
57.03428	1.2
65.03935	5.9
67.05502	1.0
67.31629	0.7
75.04462	0.9
77.03915	0.7
79.05475	3.3
83.04987	0.8
91.05476	17.6
92.05798	1.0
93.03398	3.8
93.07043	13.6
95.04979	6.4
98.22595	2.0
103.05462	14.9
105.03392	1.0
105.07021	2.8
106.04162	1.4
107.04938	4.5
108.02120	1.1
109.02918	1.1
110.03658	1.7
111.04434	7.9
112.08320	0.8
119.04962	3.5
120.05702	2.2
121.06503	25.1
121.10120	1.0
122.06828	1.1
123.04415	4.4
123.08059	0.8
124.05222	1.4
125.06009	4.5
131.04935	2.5
131.05981	1.0
131.08578	0.8
133.02875	1.6
133.06528	1.3
135.04405	1.0
135.08104	1.1
136.05180	0.8
137.02347	1.4
137.05960	8.2
139.03923	7.7
139.07561	1.3
140.04691	1.0
141.05449	1.1
142.02634	0.9
143.08501	0.9
145.10086	0.8
147.04448	3.3
147.08061	0.9
148.05151	3.0
149.05974	11.3
151.03934	4.4
151.07515	2.3
152.04651	0.7
153.05505	3.7
154.06242	38.9
155.06856	2.2
163.07515	2.1
166.06256	8.5
167.07045	11.1
168.07394	2.9
169.07501	1.2
171.06697	0.8
177.05453	13.8
179.07014	19.7
181.05028	15.9
181.08588	100.0
182.05315	0.9
182.08989	4.6
184.03564	1.0
193.08685	1.5
195.06546	2.3
197.04465	4.7
197.08051	1.0
209.08089	49.2
210.08862	78.6
211.09233	3.7
225.07582	12.0
226.07968	0.7
249.84515	0.7
407.16556	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.1
62.78721	0.3
67.05496	1.2
69.03423	0.5
69.07059	1.4
70.31389	0.5
70.31747	0.9
71.04989	0.4
79.05482	1.3
81.07042	3.7
83.04983	1.2
83.08623	0.4
91.05466	1.3
93.07037	2.3
95.01078	0.6
95.04959	0.6
95.08602	3.5
97.06535	0.5
105.07010	3.2
107.04923	0.4
107.08576	4.0
109.06443	0.6
109.10162	1.8
111.08088	0.4
113.02126	1.1
116.50154	0.3
117.07019	0.5
119.08560	3.9
121.06479	0.4
121.10136	2.8
123.08052	0.4
123.11717	1.4
129.06996	0.8
131.08549	3.1
133.10114	3.0
135.08107	0.5
135.11707	0.8
136.43964	0.3
141.06976	0.4
142.07790	0.4
143.08562	1.9
145.10114	5.2
147.11665	2.1
149.13228	0.8
151.11128	0.7
157.10115	1.6
159.11659	3.3
160.12050	0.5
161.13257	1.1
163.14833	1.5
167.03268	1.0
167.07045	0.9
169.10179	1.0
171.04208	1.0
171.11664	2.4
173.13249	2.5
175.14891	1.3
177.16370	1.1
183.11716	0.6
185.04210	1.7
185.13309	1.3
186.06511	10.1
187.07220	1.5
187.14801	8.7
188.15123	0.5
189.16341	1.8
195.11635	0.5
197.13234	0.7
199.14815	1.1
201.03664	0.8
201.16373	1.8
203.17938	1.0
205.15936	0.5
211.14859	0.5
213.16336	1.7
215.14386	0.6
215.17975	0.7
217.15833	0.6
217.19350	0.4
223.14908	0.4
225.16377	0.8
227.17892	0.7
239.17932	0.8
241.19371	0.6
243.08398	3.5
245.11633	0.7
251.18037	0.4
253.19670	0.6
255.21065	0.7
265.19437	0.4
267.20987	0.7
283.20517	1.1
296.98944	0.4
315.53549	0.3
319.24075	0.4
323.27328	0.4
376.15118	0.7
389.31894	1.4
392.14252	0.5
406.32022	0.5
407.16721	100.0
407.33203	7.5
408.17072	8.7
408.33240	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
66.13033	0.3
67.05494	0.4
69.37275	1.5
69.37686	0.7
79.05492	0.4
81.07036	0.5
91.05481	1.1
93.07035	0.6
95.01082	0.8
96.01857	0.6
103.05476	0.3
105.07006	0.4
107.08591	0.5
109.10140	0.4
112.01340	0.4
113.02144	1.5
119.08572	0.5
121.06509	0.8
123.08053	0.4
126.02836	0.3
131.08524	0.5
141.05275	0.3
145.10104	0.8
147.11755	0.3
149.05986	0.6
153.05441	0.4
154.06255	0.8
167.03151	0.3
167.07001	0.4
171.04137	1.7
175.09366	0.3
177.05576	0.3
179.07002	0.8
181.08606	2.2
185.04236	2.0
186.06508	11.1
187.07158	1.0
187.14799	1.1
197.04633	0.3
201.03699	0.9
209.08072	0.8
210.08849	1.5
243.08366	4.4
245.11528	0.6
325.74716	0.3
376.14813	1.0
392.14490	0.4
407.16721	100.0
408.17087	10.0
408.21127	0.3
408.28741	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91261	1.0
55.01864	2.8
55.05511	1.1
57.03418	2.1
58.99597	2.0
59.94549	1.1
67.05505	1.2
69.03410	1.4
70.06612	1.2
71.06213	1.7
74.53241	1.1
76.02232	2.8
79.05490	3.5
81.07050	2.7
83.08600	1.4
84.04492	4.6
84.08153	1.2
91.05473	6.6
93.07048	3.1
95.04963	2.6
97.06565	1.0
99.04448	1.4
103.05477	1.5
105.07041	4.5
107.04944	5.8
113.04087	1.3
115.05439	2.5
116.01666	3.6
117.02053	1.1
118.04032	1.2
119.04960	4.5
121.06509	11.4
123.04437	3.2
128.06230	1.5
130.05029	1.1
131.04962	1.3
131.08577	1.3
132.08865	1.5
133.02887	1.8
133.06490	4.6
135.04398	2.9
137.05969	9.8
141.06981	1.7
144.01128	1.5
145.06558	1.5
147.04417	4.1
149.06024	2.1
151.03888	2.0
151.07486	1.8
152.06216	1.7
153.05461	11.1
153.06963	6.7
154.06139	1.3
155.04898	1.4
157.06577	1.6
161.05966	3.9
162.02193	5.6
163.03954	2.1
165.05695	1.7
165.06946	7.2
166.06256	1.3
166.07755	1.2
167.07053	18.2
167.08443	2.9
168.05757	2.5
168.07346	2.2
169.06512	7.3
170.07124	1.6
171.07709	1.2
173.06020	2.1
177.05508	3.9
178.06158	1.0
179.06996	3.1
181.05005	2.2
181.06485	11.3
181.08600	18.6
182.07236	2.7
183.04465	3.1
183.08025	8.1
184.05231	1.4
185.06026	1.5
185.09554	1.1
186.06746	1.5
187.07544	2.6
188.03621	1.2
193.06741	2.0
193.08609	7.6
195.08070	4.4
196.05167	4.0
197.05995	12.9
198.06758	9.8
199.07544	2.9
200.04764	1.2
203.03477	1.8
206.09407	1.3
207.10123	1.8
209.06006	4.6
210.06639	2.7
210.12071	1.4
211.03979	2.1
211.07555	15.0
212.04573	1.4
212.08218	2.1
213.05600	3.3
213.09102	7.5
214.06255	5.9
215.07034	6.2
220.28177	1.1
221.05980	2.1
223.07565	1.8
224.04640	2.4
225.05382	5.9
226.06221	5.5
227.07028	5.1
228.04193	2.2
228.07741	2.1
229.08495	6.2
237.05405	2.6
238.06244	3.2
239.07112	7.4
240.07719	3.3
241.04903	3.0
241.08543	9.2
242.05829	5.5
243.06416	7.2
243.10153	3.4
245.04436	13.6
245.08154	3.2
245.11818	3.1
251.07028	1.8
253.04868	1.6
253.08540	1.7
254.05507	1.7
255.06485	2.6
256.07236	1.4
257.04346	2.1
257.08044	6.7
258.08545	2.4
259.11069	3.4
260.11417	7.3
261.02643	1.2
261.10852	1.8
266.05270	1.4
267.06445	3.0
269.08014	6.6
271.05881	5.2
272.10294	1.6
273.11182	11.1
275.09219	2.9
283.09555	2.4
285.07596	3.1
286.08292	4.2
288.06345	1.5
301.10684	29.3
302.08081	1.5
302.11295	4.2
303.08524	1.3
318.10962	100.0
319.11340	8.2
330.10983	2.1
331.11761	7.6
332.12506	72.1
333.13217	34.2
334.13702	2.5
375.14325	1.2
379.08295	1.3
386.64450	1.2
407.07855	8.6
407.12799	2.0
407.18338	1.4
424.29913	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
53.49376	0.4
54.58508	0.4
61.64981	0.4
65.03941	0.5
67.05493	0.8
69.84384	1.2
78.04712	1.8
79.05492	4.7
81.07050	1.8
90.03769	0.3
91.05480	3.0
93.07052	0.7
94.04146	0.3
95.04968	3.0
103.05445	1.1
105.07056	1.8
106.04147	1.5
107.04948	5.9
108.02086	0.5
109.02850	0.9
109.06506	1.4
111.04475	0.5
111.08062	0.6
115.05446	0.4
117.07025	0.7
118.04163	0.5
119.04929	1.6
121.06485	0.6
122.03610	0.8
123.04430	5.2
123.08060	0.9
124.05231	3.5
125.06043	0.6
128.50487	0.4
131.04932	1.1
132.05702	1.1
133.02769	0.4
133.06480	2.1
133.10002	0.4
135.04401	1.5
135.08020	0.4
136.05223	0.4
137.05969	9.2
137.66229	0.4
139.07520	4.9
140.04668	0.7
145.10097	0.7
147.04420	0.5
149.06004	0.7
150.06717	0.4
151.03908	8.1
151.05013	0.7
151.07532	3.6
152.04619	1.4
153.05438	1.7
155.07053	0.9
158.84854	0.4
161.05978	3.5
163.07549	1.8
165.05434	0.8
165.09163	0.5
167.07027	100.0
168.07368	4.2
177.05464	1.1
178.06264	1.1
179.06995	4.1
180.07806	0.4
181.04941	1.6
181.08568	1.1
183.06523	1.5
183.41571	0.4
187.14774	1.1
189.05502	1.1
189.09164	0.4
191.07021	1.2
192.07816	1.6
193.08551	1.7
195.06560	0.7
197.08095	1.3
201.70186	0.4
207.06554	0.5
209.08130	0.8
211.09622	9.8
212.10028	0.5
223.09572	0.5
227.09111	0.5
237.11047	0.5
255.12488	0.4
265.88898	0.4
310.68768	0.5
313.10651	0.9
334.85477	0.4
357.13419	2.3
389.15891	0.7
389.62643	0.4
407.17111	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.8
53.03929	5.6
55.01863	8.7
55.57353	1.1
65.03934	11.8
67.05511	3.1
68.99802	1.1
69.13667	2.8
69.14070	8.2
71.01359	4.3
77.03934	2.5
78.04719	1.7
79.05492	17.2
80.63692	1.1
81.03407	1.4
81.07028	2.6
82.04193	2.5
85.02911	4.3
91.05479	26.9
92.05789	1.7
93.03414	4.5
93.07040	3.9
94.04184	2.4
95.04966	12.0
97.06537	1.9
103.05463	25.8
103.06095	2.2
105.03380	6.6
105.07018	11.8
106.04150	1.9
107.04954	77.7
107.08593	2.1
108.05244	2.5
109.06524	12.0
110.03657	4.5
111.04433	3.1
115.05474	8.7
117.07025	3.2
119.04933	9.5
120.05746	5.3
121.06506	12.2
122.03645	5.6
123.04417	14.3
125.05989	5.9
129.07051	1.8
131.04919	12.5
131.08458	1.2
133.02852	18.1
133.06483	12.1
135.04410	3.3
135.08046	18.0
136.05157	1.7
137.05974	48.3
138.03148	2.0
138.06804	3.4
139.03873	3.5
140.04674	5.5
142.02650	2.5
145.06572	1.3
145.07635	2.6
146.07217	1.2
147.04352	7.5
148.05153	3.2
149.05957	10.2
150.03134	1.2
150.06619	1.3
151.03903	4.3
151.07538	10.3
153.05457	17.4
154.06250	4.3
155.06999	14.8
161.05975	26.5
161.09576	6.3
162.06364	1.6
163.03928	2.0
163.07535	86.8
164.07927	4.1
165.05460	38.5
165.09174	1.3
166.06236	6.3
167.03464	1.4
167.07019	11.8
168.07329	1.6
171.06549	2.5
174.06737	2.6
175.07518	3.0
176.04692	1.6
177.05432	10.3
179.07037	8.5
180.04198	1.5
180.07794	19.6
181.04948	100.0
181.08560	37.7
182.05385	4.1
182.09264	3.9
183.06552	5.0
189.05508	3.9
189.09105	18.4
191.07047	2.5
193.04953	21.8
193.08646	1.2
195.06474	2.9
196.07257	3.4
197.08138	6.0
203.02512	1.3
207.06517	16.0
207.10103	10.3
208.07298	52.0
209.07941	7.1
211.09789	1.7
212.55130	1.2
225.05322	2.1
225.07559	39.1
226.08351	30.9
226.10533	2.2
313.10779	2.8
313.14264	1.9
327.90417	1.0
341.13782	1.2
357.13220	2.0
359.14859	4.0
366.61749	1.0
389.15811	1.9
403.27124	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44685	0.5
53.03939	1.0
54.30325	0.4
55.01865	2.2
57.03445	0.5
58.38252	0.4
65.03931	1.1
66.04702	0.5
67.05492	1.6
69.03413	0.5
69.13630	2.5
69.14031	0.9
69.81026	0.4
71.01347	0.5
75.04492	0.5
77.03917	0.5
78.04684	0.7
79.05035	0.7
79.05491	9.8
83.19024	0.4
90.04657	0.5
91.05472	8.2
92.06257	0.8
93.03410	0.8
93.07027	1.4
94.04196	0.7
95.04980	2.5
95.08591	0.6
97.06541	0.6
98.22485	0.7
103.04821	0.7
103.05465	7.5
104.06269	0.9
105.03404	0.9
105.07028	26.2
106.07332	0.8
107.04953	6.4
107.08583	0.8
107.77774	0.4
108.05754	2.0
109.02869	0.5
109.06509	2.3
111.04427	0.7
115.05434	1.9
117.07001	0.6
118.04169	9.2
119.04984	4.5
120.05741	1.9
121.06519	3.6
122.03657	0.8
122.07265	1.8
123.04427	1.9
123.08076	2.7
124.05213	2.1
125.06019	2.3
131.04913	1.6
132.05688	1.1
133.06488	27.5
134.07234	0.9
135.04424	4.5
135.08049	4.8
136.05171	0.5
137.05971	9.1
139.07507	0.6
141.05370	0.5
146.03627	1.8
147.04417	2.0
147.08078	0.7
148.05186	1.4
149.05977	5.5
150.06763	15.6
151.03902	15.3
151.04991	1.5
151.07553	6.3
152.08250	0.6
153.05450	2.0
161.05963	3.7
163.03922	1.2
163.07530	1.9
165.05446	1.0
165.09120	18.1
166.09460	1.0
167.07033	15.6
168.07799	2.6
177.05547	2.0
177.09111	0.6
178.06250	5.5
179.07013	3.9
181.05052	1.0
181.08615	2.7
193.08600	68.7
194.08948	3.3
195.06538	1.2
195.10083	0.6
196.07271	1.2
205.08545	2.7
209.08131	0.7
210.08885	1.2
211.09648	100.0
212.10057	6.7
242.84355	0.4
245.11552	2.5
407.16708	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	407.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.9
55.01860	0.6
67.05496	0.8
78.04716	1.5
79.05495	5.0
81.07044	1.2
91.05463	1.9
93.07060	0.9
95.04964	0.9
95.08543	0.5
97.06508	0.5
98.23489	0.7
100.64488	0.4
103.05446	1.3
105.03358	0.5
105.04506	0.5
105.07021	1.5
106.04165	1.1
106.93796	0.4
107.04952	10.8
107.08588	0.5
109.02860	0.9
109.06509	1.2
110.49767	0.4
111.08108	0.6
119.04960	0.5
121.06490	1.4
122.03671	0.5
123.04435	4.1
124.05228	3.0
125.05985	0.9
133.06430	0.8
135.04460	2.3
135.08066	2.1
137.06001	1.0
138.03101	0.4
139.07532	4.4
145.10088	0.4
147.04422	0.4
149.05948	1.1
151.07536	0.6
152.04674	1.8
153.05449	1.6
154.06271	0.5
160.73904	0.4
163.03871	1.7
163.07559	3.5
165.05461	1.2
167.07027	100.0
168.07373	4.0
179.03221	0.4
179.06985	0.8
180.07857	0.6
181.08553	0.5
191.07053	1.0
193.08621	1.3
195.06528	3.2
195.10155	10.3
196.07202	0.9
197.19162	0.5
209.11656	0.9
211.09650	8.2
212.10315	1.2
229.10152	0.4
254.55086	0.4
258.01779	0.4
263.10754	0.4
339.02335	0.5
407.20712	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.17
Annotation	Icariol A1
Peak:m/z	Relative Intensity
53.03968	2.1
55.01858	1.4
65.03936	7.6
65.93469	0.9
67.05508	3.6
69.03436	1.7
71.32703	0.9
79.05486	3.5
82.04200	2.5
85.02912	4.4
91.05493	4.6
93.03415	1.2
93.07049	1.7
95.04966	16.9
97.06520	2.3
103.05484	2.8
105.04522	1.7
105.07035	2.8
107.04977	6.8
108.02090	1.4
110.03658	3.7
111.04451	2.6
117.07008	1.1
119.04963	2.4
119.08598	1.4
121.06532	3.8
123.04422	16.9
123.08031	1.1
125.05991	2.2
128.06216	1.2
128.66820	1.0
129.07034	4.4
131.04935	3.2
133.06502	1.3
135.04434	1.1
135.08032	6.8
137.06000	4.7
138.03139	1.6
140.04704	3.6
142.02647	2.2
146.07303	2.6
147.04480	1.8
147.08044	1.6
148.05202	2.4
149.06000	1.6
151.03922	5.8
151.07524	8.1
153.05446	2.3
155.07025	14.2
157.06531	3.1
161.05969	27.0
161.09596	7.4
162.06404	1.5
163.07578	10.1
164.08159	1.2
165.05542	1.5
167.07034	16.6
171.06555	4.7
174.06842	2.8
175.07568	2.3
177.05659	1.3
177.09113	2.8
179.07097	3.3
181.04953	100.0
182.05333	4.8
182.08766	1.0
183.06506	18.5
189.09100	25.5
191.07053	11.2
192.07570	1.3
193.08618	4.3
195.08342	1.4
195.10172	5.9
207.06552	3.3
207.10143	22.5
208.10477	1.6
210.06857	1.1
221.05830	1.4
223.07617	1.3
225.09239	1.8
235.09763	6.3
239.07033	1.7
251.10696	1.6
253.08588	2.0
254.59663	1.0
255.10292	1.2
269.08151	1.5
279.10254	1.6
283.09741	2.4
283.13153	2.2
285.11368	1.9
300.09991	2.9
311.12738	2.4
313.10776	3.9
313.14331	1.6
315.12195	3.6
317.13782	3.3
327.12201	2.9
336.12509	1.1
341.13861	1.4
343.11694	3.6
343.15421	5.8
359.14905	8.0
360.40869	1.4
361.16541	6.5
365.02310	1.2
371.14856	9.0
377.15790	2.4
389.15833	15.5
390.16245	1.6
407.16913	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.3
55.01866	6.5
65.03941	8.3
66.04730	1.5
67.05504	3.7
68.99812	1.0
69.03412	1.4
69.64886	3.5
69.65295	1.8
71.01352	5.5
77.03935	1.9
78.04713	1.8
79.05483	11.3
81.03417	1.7
81.07067	2.9
82.04201	3.5
85.02907	3.8
90.18607	0.9
91.05482	20.2
93.03400	2.8
93.07054	3.9
94.04183	2.5
95.04968	12.5
97.02862	1.2
97.06528	2.5
98.23355	1.7
101.16838	0.9
103.05467	25.6
104.05738	1.0
105.03393	9.2
105.04501	1.2
105.07026	9.9
106.04192	2.0
107.04953	71.7
107.08572	1.5
107.52403	0.9
108.02060	2.2
108.05298	1.9
108.84450	0.8
109.06511	9.7
110.03653	3.7
111.04429	2.8
115.05457	7.2
116.06226	1.8
117.07028	3.0
118.04189	1.2
118.77568	1.0
119.04930	10.0
120.05700	3.0
121.06502	12.5
122.03654	3.9
123.04436	12.5
123.05253	1.5
123.08043	1.1
124.05177	0.9
125.05984	4.9
128.06218	1.4
129.07033	2.2
131.04916	9.9
131.08600	1.4
133.02844	16.2
133.06499	12.4
135.04413	3.9
135.08046	15.0
136.05226	1.5
137.05972	48.8
138.03166	1.8
138.06705	3.4
139.03920	3.2
140.04678	5.2
142.02606	2.5
145.06538	1.7
145.07611	1.2
146.07298	1.9
147.04443	7.7
147.08112	0.9
148.05154	3.1
149.05995	9.0
150.03076	1.2
151.03915	3.3
151.07558	9.2
153.05461	16.1
154.06209	4.3
155.07030	12.2
161.05972	22.7
161.09604	5.3
162.06706	1.1
163.07538	80.0
164.07953	3.6
165.05470	34.9
166.06270	8.1
167.03317	1.1
167.07053	10.1
171.06512	2.2
174.06870	1.6
175.07614	2.4
176.04688	2.3
177.05457	10.1
179.07039	6.8
180.07802	19.3
181.04955	100.0
181.08562	38.3
182.05334	4.3
182.09282	3.5
183.06544	5.8
189.05507	4.2
189.09093	16.9
190.09421	1.3
191.07056	3.4
193.04953	18.3
193.08676	1.4
195.06578	2.3
195.10139	1.4
196.07333	2.2
197.08109	8.5
207.06508	20.4
207.10133	11.4
208.07307	45.1
209.07968	8.1
211.09688	3.1
217.08517	2.1
225.07574	42.5
226.08339	28.3
227.08743	1.9
235.09702	1.8
245.04506	1.4
281.08148	1.2
313.10733	2.5
313.14282	1.4
339.12463	1.2
341.13840	1.5
343.15680	1.0
357.13293	2.9
359.14789	5.4
371.14893	1.3
389.15817	3.7
407.07556	1.1
407.29245	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
57.98856	1.5
68.61176	1.3
69.27438	9.2
69.27845	3.2
79.05492	7.7
81.94438	1.5
87.35441	1.3
91.05473	5.4
93.07011	1.7
95.04958	3.2
98.22536	2.3
103.05455	6.8
105.07022	9.9
106.64630	1.2
107.04231	3.3
107.04953	62.1
107.08604	1.4
115.05444	5.1
117.07016	2.0
120.05677	2.4
124.05181	1.5
126.18376	1.3
135.08054	15.2
137.05930	1.3
139.03755	1.6
145.07610	1.8
147.04378	2.6
154.06270	4.0
163.07539	21.9
167.07050	25.0
168.07431	1.5
180.07797	5.4
195.10156	100.0
196.10513	8.0
209.11708	4.7
224.49792	1.4
259.16498	1.3
281.56500	1.5
387.36603	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
60.97643	1.8
65.03912	2.0
67.05508	2.8
69.27470	15.1
72.74886	2.3
75.84527	1.9
79.05475	6.3
87.59018	1.9
91.05503	7.2
93.07068	3.6
94.97439	1.8
95.04971	2.9
95.08591	4.8
103.05466	9.6
105.07037	10.4
107.04949	62.8
115.05494	3.3
117.07000	2.7
123.04374	2.2
123.08085	2.4
135.08064	13.4
137.06024	2.5
151.07533	3.5
154.06235	5.0
157.10109	2.6
163.07564	22.6
164.07980	2.4
167.07022	27.5
175.32919	2.1
180.07808	4.8
195.10158	100.0
196.10527	8.6
213.53984	2.2
319.94345	2.2
324.67825	2.6
407.24753	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	407.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	1.0
53.03942	1.6
55.01861	1.9
69.10428	10.7
69.45538	1.1
79.05486	6.7
91.05505	6.0
95.04955	2.4
98.23270	1.8
101.14867	1.1
103.05482	5.9
105.07042	6.2
107.04952	54.3
107.08598	1.5
108.05251	1.7
109.10152	1.1
115.05454	3.4
115.07751	1.0
117.06989	1.2
117.40280	1.0
120.05685	1.2
123.04411	1.5
124.05187	1.8
130.52693	1.0
131.04904	1.1
133.06468	1.8
133.72546	1.1
135.08060	13.3
137.06000	2.3
139.03860	1.3
147.04366	1.3
151.03935	1.8
151.07497	1.0
154.06253	4.3
163.07545	25.5
167.07036	24.5
168.07364	1.4
177.18851	1.0
180.07848	3.6
195.10164	100.0
196.10524	5.9
209.11758	2.6
227.86043	1.0
321.73053	1.2
379.04852	1.3
384.05063	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2062
Annotation	Nigakilactone L
Peak:m/z	Relative Intensity
52.08750	2.3
53.03942	4.3
55.01862	2.5
55.05519	15.8
57.07073	43.2
59.04997	2.6
63.72849	1.9
67.05502	33.6
68.99817	3.0
69.03423	5.8
69.07069	20.8
69.18739	18.0
71.04985	16.6
71.08626	3.0
73.06593	2.4
73.40684	1.9
74.61731	1.8
79.05488	26.4
81.07054	51.7
83.01350	2.9
83.04987	7.0
83.08633	9.8
85.06537	25.4
88.07669	2.6
91.05481	27.1
93.07039	38.9
95.04971	7.3
95.08023	3.5
95.08607	49.6
97.06538	4.4
97.10172	5.5
98.23341	5.0
105.07029	43.3
107.04948	3.1
107.08593	47.1
108.78060	2.2
109.06516	16.5
109.10152	30.4
110.89661	2.0
111.08072	7.0
112.07531	2.5
112.96040	2.2
117.07022	9.4
119.04989	2.3
119.08581	51.9
119.99915	1.9
121.06511	7.1
121.10136	35.7
123.08064	9.2
123.11699	20.1
125.06042	4.2
125.09646	3.2
128.06256	4.4
129.07031	5.3
130.08667	2.7
131.08557	24.8
133.06479	15.8
133.10124	57.2
135.04434	2.5
135.08063	10.7
135.11682	17.0
137.05969	5.0
137.09613	9.7
137.13243	4.6
141.07033	3.2
142.07831	3.0
143.08553	18.1
145.06537	3.4
145.10106	30.8
147.08049	25.6
147.11694	15.6
149.02435	2.5
149.05966	4.9
149.09639	7.2
149.13252	11.6
151.07545	8.7
151.11174	100.0
155.07013	4.1
155.08481	4.0
156.09280	2.8
157.10136	15.4
158.10887	4.0
159.08067	4.4
159.11668	20.0
161.09599	5.0
161.13237	15.3
163.11162	2.5
163.14819	9.3
165.01825	24.7
165.09140	3.6
165.12744	3.9
167.07065	2.9
169.08620	5.0
169.10120	5.6
169.12244	6.1
171.08080	3.5
171.11694	12.8
173.09615	3.2
173.13252	14.7
175.07536	5.8
175.11194	5.3
175.14850	10.8
177.05527	2.7
177.12762	3.6
177.16377	7.7
178.09851	2.4
179.06975	2.6
179.08485	2.3
179.10713	3.5
179.14293	7.8
181.10100	4.9
183.11652	10.5
185.09720	3.1
185.13264	11.0
187.11200	2.6
187.14809	32.0
189.09123	6.2
189.12782	5.4
189.16371	14.1
191.07060	3.4
191.14322	5.6
193.04916	3.7
193.08611	5.0
193.12157	4.0
195.11720	3.9
195.44156	2.2
197.13272	7.8
199.07533	4.1
199.11186	4.4
199.14786	6.7
201.05551	2.6
201.12733	6.7
201.16345	12.8
203.06989	3.4
203.10669	6.5
203.18005	3.9
205.15874	7.5
207.13863	7.1
209.13187	5.1
211.09637	5.6
211.14876	4.7
213.09236	2.9
213.12756	2.8
213.16360	10.3
215.14342	4.9
215.17981	10.3
217.12178	8.3
217.15897	4.9
219.09941	2.6
219.13782	3.8
221.08119	5.1
221.11714	10.7
221.15331	2.2
223.14877	5.2
225.16373	5.7
227.14273	4.4
227.17867	5.0
228.66571	2.3
231.13712	4.7
237.16374	3.5
239.09123	50.9
239.12688	15.9
239.17935	5.6
240.09354	4.1
241.12276	4.3
241.19481	3.7
243.20988	3.3
245.11592	3.9
249.14862	3.0
251.17928	3.8
255.13805	8.1
255.21188	2.8
257.11685	3.1
259.13351	9.0
263.12769	4.9
273.14835	42.4
273.17581	3.8
274.15213	4.9
277.14371	9.3
289.14438	3.7
291.15936	5.8
293.13986	3.4
301.18060	4.2
305.13858	4.9
319.19073	7.3
321.13403	13.2
325.18155	3.2
327.19702	2.9
337.21106	2.5
343.18909	13.7
345.20563	4.2
346.26685	2.3
349.28979	2.3
353.20993	3.1
361.20007	3.8
371.18124	4.2
371.22156	12.9
389.23343	12.4
389.31989	8.4
407.24585	29.9
407.28958	12.7
407.33466	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	19.2
57.03437	2.2
57.07072	16.9
58.53837	1.9
65.03963	3.2
67.05502	28.3
69.06713	3.1
69.07067	39.4
70.07388	2.1
71.04979	3.3
71.08624	13.4
74.43168	1.9
74.95958	1.9
79.05487	16.2
81.07056	41.5
82.07391	2.2
83.04966	3.3
83.08618	12.9
85.06536	3.4
85.10196	2.1
89.06030	4.5
91.05471	15.0
93.07041	23.0
95.04993	3.4
95.08599	45.4
96.08960	1.9
97.06509	4.8
97.10201	3.3
105.07010	18.0
105.07546	1.8
107.08598	26.5
109.06517	6.5
109.10149	22.3
111.08039	2.7
111.11708	9.9
113.00021	17.3
117.06985	3.0
119.08566	21.5
119.74409	1.7
121.02877	4.6
121.06503	3.4
121.10146	22.1
123.11714	8.8
125.06018	1.9
127.07545	2.1
129.06944	2.8
129.12766	3.5
131.08546	11.6
133.08629	4.0
133.10110	14.2
135.08064	2.8
135.11649	18.4
136.11960	2.1
137.05956	2.2
137.09674	2.8
137.13271	9.9
141.06984	2.0
143.08562	6.3
145.10149	13.4
147.08060	2.6
147.11636	8.8
149.02339	100.0
149.09601	2.6
149.13222	11.2
150.02702	4.1
151.07478	2.3
151.11212	2.4
151.14769	2.6
155.07126	3.4
155.08522	2.5
157.10110	8.7
159.11670	14.9
161.09659	2.3
161.13258	9.5
163.14792	14.1
165.12775	2.9
167.03395	7.2
169.02625	11.9
169.08611	23.6
169.10092	3.9
170.08949	22.8
171.09171	14.2
171.11652	9.5
173.09590	2.0
173.13251	9.3
175.11246	2.4
175.14832	7.6
177.16405	6.2
183.11668	3.5
185.13191	5.4
187.14832	12.6
189.12761	2.4
189.16374	7.4
191.17987	4.4
197.13269	2.6
199.14854	4.2
201.16385	11.8
203.14308	4.0
203.17937	6.0
209.08322	1.7
211.14830	2.7
213.16368	4.6
215.17987	5.2
217.19460	2.7
225.16359	2.9
227.17885	5.9
229.19373	3.1
231.17432	1.9
239.17879	2.6
241.19421	2.6
243.21124	3.4
245.22575	2.5
253.19691	2.4
255.21071	3.6
257.18933	2.8
257.22458	2.6
267.20941	2.3
283.20288	2.1
293.77600	1.9
311.23795	2.8
311.27493	2.0
371.29276	6.3
389.30786	4.3
407.22998	3.1
407.27747	3.6
407.32202	24.0
407.36795	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	407.2791
Annotation	3-Oxocholic acid
Peak:m/z	Relative Intensity
53.03931	2.1
55.01863	2.0
55.05508	11.0
57.03440	1.3
57.07072	7.7
58.45383	1.1
59.04996	3.7
65.03915	2.0
67.05507	15.1
69.03429	3.3
69.07069	15.2
71.04980	4.4
79.05485	13.0
81.07053	30.4
81.07506	1.8
83.05000	5.3
83.08613	8.3
85.06526	2.6
87.04469	3.1
91.05470	14.5
93.07042	32.1
95.04974	2.8
95.08602	36.9
96.37233	1.1
97.06527	12.3
97.10146	5.6
99.08083	1.4
105.07026	27.2
107.04978	2.8
107.08588	38.4
108.08908	2.0
109.06504	3.8
109.10155	17.5
111.08084	13.5
111.74207	1.1
111.96140	1.1
114.82199	1.1
117.07024	5.1
119.06001	1.0
119.08578	34.4
119.09435	2.3
119.32796	1.0
120.08902	1.3
121.06506	3.6
121.10139	38.5
122.10518	1.7
123.08076	5.1
123.11703	14.3
125.05991	2.2
125.09616	8.3
129.07008	5.0
131.08560	14.4
133.10118	22.6
135.08055	4.1
135.11688	21.9
137.09593	13.9
137.13248	2.8
139.07532	4.2
139.11160	24.0
142.07828	1.8
143.08575	11.1
144.09280	1.2
145.10118	24.2
147.08052	2.8
147.11670	11.0
149.09633	10.0
149.13260	9.0
150.10411	4.8
151.11142	8.8
153.09122	4.3
153.12704	5.4
155.08537	2.7
156.09227	1.6
157.10112	15.1
158.10910	1.6
159.08063	1.1
159.11693	14.2
161.09586	3.4
161.13232	8.1
163.11171	4.5
163.14842	8.6
165.01917	1.7
165.09099	1.5
165.12737	1.5
167.10704	15.4
169.10126	4.4
170.10941	1.3
171.11687	8.7
173.13254	13.1
175.14760	7.7
177.09163	5.3
177.12750	2.6
177.16394	4.9
179.10643	2.6
179.14319	1.6
181.12274	2.9
182.10909	1.5
183.10156	3.6
183.11696	4.4
185.13292	7.4
187.14819	24.0
189.12738	3.2
189.16402	11.0
191.14256	7.5
193.12216	1.7
193.15933	2.4
195.10181	4.8
195.11761	1.8
195.13741	2.3
197.13278	3.6
199.14775	6.5
201.16402	11.5
202.16782	1.3
203.14444	1.3
203.17924	3.8
205.15854	3.5
207.11830	1.4
207.13817	1.9
207.17528	1.4
209.13449	2.4
209.15402	6.1
211.14804	3.3
213.16399	11.0
214.16899	1.4
215.14252	1.3
215.17976	5.3
217.15952	2.8
219.13780	5.1
219.17499	1.4
221.15306	3.5
223.13181	6.8
223.15128	1.7
225.16324	3.2
227.17934	4.9
228.91864	1.6
229.15883	2.2
229.19524	3.3
231.17532	1.5
233.19011	1.7
235.13214	8.6
237.14795	46.9
238.15233	3.3
239.17885	2.3
241.19534	3.4
243.21089	1.3
249.14893	4.2
251.16263	6.9
253.19556	3.4
255.21150	2.7
261.14774	1.6
265.19894	1.2
267.21054	3.2
273.14975	1.5
275.16397	2.3
279.19550	14.6
280.19904	1.2
310.20374	1.1
311.20322	1.5
311.23724	4.1
319.22861	3.3
349.28619	1.2
353.24655	1.9
361.28979	1.6
371.25787	31.5
372.26233	3.2
389.26898	100.0
389.31866	9.4
390.27237	13.8
390.31985	2.0
407.23837	12.3
407.28131	23.4
407.33096	31.1
408.28473	2.1
408.33298	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	407.2945
Annotation	Gymnasterone D
Peak:m/z	Relative Intensity
55.05510	8.4
57.07075	9.2
57.13197	1.2
62.15086	1.3
67.05506	7.6
69.07067	43.7
69.35416	2.7
69.35828	6.2
71.08606	1.4
74.85311	1.1
79.05477	3.1
81.07055	13.7
83.08618	14.2
85.06513	1.1
88.61606	1.0
89.06013	2.7
91.05451	2.7
93.07029	8.8
95.04982	1.2
95.08598	15.2
96.08963	1.2
97.06534	10.7
97.10150	2.9
98.11393	1.2
98.22633	1.7
98.39413	1.0
105.07011	5.1
107.08598	7.5
109.10156	10.1
117.07056	1.3
119.08588	6.6
121.06498	1.2
121.10119	5.5
123.07996	1.7
123.11706	3.2
125.13234	1.8
128.06259	1.2
129.06996	2.5
131.08545	3.4
133.08533	1.2
133.10117	4.7
135.11661	3.7
137.13246	3.8
141.05463	5.5
143.08574	5.8
145.10117	4.9
147.11678	4.1
149.13239	2.6
155.08470	1.6
157.10173	7.0
159.08041	1.6
159.11700	3.7
161.13271	3.1
163.14807	2.0
169.02747	1.2
169.10077	1.1
171.08003	1.9
171.11661	8.1
173.09610	3.1
173.13208	2.4
175.03720	1.1
175.14874	1.5
179.08549	2.3
181.10049	2.3
183.11705	15.7
184.12245	1.2
185.09660	1.7
185.13280	7.5
187.14842	2.5
189.12659	2.0
189.16391	2.3
191.17900	1.6
195.11986	2.3
197.13130	2.4
199.14845	2.3
201.12773	2.0
201.16310	2.1
209.13196	3.5
211.11104	1.6
211.14737	1.8
213.16359	1.7
215.18053	2.4
223.11250	2.5
225.12659	1.8
227.14267	6.0
227.17859	2.1
228.15051	3.3
237.16255	1.8
239.14359	2.8
241.19392	1.5
246.07742	1.1
253.15839	1.7
254.16656	4.4
255.13812	6.5
267.13766	4.9
268.18127	5.2
269.22501	1.3
282.15961	1.1
283.16846	3.4
284.26614	1.7
365.28317	7.6
407.29315	100.0
407.36176	5.6
408.29721	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	407.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51511	6.6
55.01867	7.3
55.05504	23.8
57.52990	6.4
67.05499	83.9
69.07060	35.7
69.72465	12.3
69.72881	28.5
79.05493	28.3
81.07059	90.4
83.08630	15.3
85.06548	10.9
91.05476	31.1
91.85512	7.7
93.07034	39.2
95.08609	100.0
97.06540	8.2
97.10169	9.7
98.22578	9.3
105.07038	19.1
107.08611	33.5
109.10132	50.2
111.08060	7.1
119.08577	17.4
120.09012	6.7
121.06530	8.4
121.10148	30.7
123.08073	12.8
123.11714	23.5
131.08554	12.1
133.02800	10.3
133.10179	11.4
135.11639	16.9
137.13173	9.4
139.11183	10.2
145.10121	17.0
147.11665	17.1
149.13298	7.4
151.07558	14.7
152.24583	6.9
159.11662	9.7
161.13258	12.6
167.06975	15.3
168.07352	7.0
181.04962	10.1
181.08617	13.0
195.10229	9.7
218.44333	6.6
261.22174	17.6
261.68469	8.2
269.86160	7.4
279.23114	75.6
280.23621	9.5
297.24210	8.3
329.41348	7.0
353.26880	20.7
371.27933	31.3
389.28906	19.8
407.16626	29.8
423.04977	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.7
55.05511	18.2
57.07080	6.7
59.04983	1.9
65.03966	2.1
67.05503	27.6
69.07064	23.3
70.01130	5.3
71.04980	2.4
79.05497	20.0
81.07056	50.8
82.07394	2.0
83.05007	2.6
83.08614	11.3
86.59551	1.9
91.05470	29.5
93.07042	46.0
93.07597	3.2
95.04956	2.2
95.08602	63.0
97.06552	2.2
97.10195	6.4
98.22603	1.9
99.08089	3.3
103.05463	3.2
105.07030	46.8
105.61979	1.9
107.08591	62.5
109.06491	4.5
109.10149	39.7
111.08106	3.9
111.11769	2.3
116.06236	1.8
117.07042	10.4
119.08577	99.9
120.08925	4.7
121.10136	50.6
121.10966	3.9
123.08079	5.4
123.11694	13.7
125.09632	4.4
128.06223	3.9
129.07036	11.2
131.08562	47.4
133.10126	36.6
135.08116	5.6
135.11694	35.4
137.09555	2.5
137.13258	8.0
142.07808	7.4
143.08563	20.9
144.09407	3.7
145.09001	2.5
145.10127	51.9
145.11206	3.7
146.10570	2.1
147.08026	9.1
147.11665	22.2
149.13240	22.2
151.11206	2.3
155.08577	6.0
156.09332	7.2
157.10117	28.0
158.10777	2.2
159.08136	3.0
159.11684	30.7
160.12187	1.9
161.09644	3.7
161.13252	23.1
162.03094	2.3
163.14812	16.8
163.15759	1.7
165.12833	3.3
169.10094	12.7
170.10965	5.9
171.11687	21.6
172.12366	2.0
173.13249	37.4
174.13834	2.1
175.11195	4.2
175.14853	20.1
177.12756	3.4
177.16382	9.8
181.10127	4.2
183.11687	15.8
184.12474	3.2
185.09625	2.6
185.13249	22.8
186.13722	2.6
187.14822	35.5
189.12717	2.3
189.16388	20.5
191.14391	2.5
191.17938	83.0
192.18291	3.8
195.11853	3.8
197.13318	7.5
199.11505	1.8
199.14815	41.5
200.15260	2.8
201.12784	5.9
201.16376	16.7
203.14359	18.6
203.17958	9.5
205.15970	3.6
209.13235	4.8
211.14847	6.5
213.16359	14.6
214.16960	2.1
215.14479	2.5
215.17853	9.8
217.15921	21.9
217.19519	4.9
219.17398	2.9
223.14932	3.7
225.16486	6.5
227.18004	5.8
229.15852	3.5
229.19476	3.6
231.17480	2.2
233.19157	2.8
237.16374	6.1
238.17056	2.1
239.18062	4.5
241.19551	7.8
243.17441	2.8
243.21245	4.9
251.18008	3.0
253.19539	6.6
255.21054	3.6
263.18127	2.5
265.19415	2.5
267.21042	4.5
269.18994	4.0
269.22549	8.9
271.20740	3.1
279.20975	2.4
283.20782	2.5
311.23642	5.4
319.24057	2.9
321.25812	3.2
337.25198	3.1
337.28995	2.4
361.29080	2.5
389.31976	21.7
390.32156	2.5
407.24948	16.4
407.33200	100.0
408.33661	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	407.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.7
55.05506	15.7
57.07072	8.3
65.03924	2.7
67.05498	24.4
69.07062	21.2
71.08629	3.3
71.34108	1.5
79.05486	20.1
81.07051	47.1
82.07354	1.7
83.04964	7.9
83.08614	10.4
83.31695	1.3
85.06530	1.7
89.06017	4.9
89.98442	1.4
91.05463	24.8
93.07041	36.6
94.07382	2.0
95.04968	3.6
95.08598	62.2
95.09206	3.2
96.08937	3.1
97.06529	4.2
97.10172	4.4
105.07027	46.8
106.07368	1.8
107.08584	50.7
108.08887	1.9
109.02989	1.5
109.06525	3.8
109.10148	34.2
111.08092	2.2
115.05425	1.9
117.06981	9.2
119.06034	2.7
119.08572	49.0
121.10137	42.0
123.08060	5.0
123.11696	14.5
125.09602	2.1
128.06226	3.3
129.07004	8.3
130.07767	2.4
131.07635	2.8
131.08557	35.8
132.08830	2.0
133.10115	35.6
134.10478	2.0
135.08031	3.5
135.11687	15.8
135.55928	1.4
137.09590	1.8
137.13246	5.4
139.11168	2.1
141.06934	2.6
142.07713	3.1
143.08557	23.0
144.09279	1.4
145.10121	65.2
146.10538	1.7
147.11676	17.6
149.09641	4.8
149.13257	19.2
151.11191	3.0
155.08508	3.9
156.09291	2.6
157.10112	17.7
158.10873	5.0
159.11687	34.4
161.09593	2.7
161.13257	13.9
163.11169	3.4
163.14816	15.3
169.10133	6.5
170.10861	2.0
171.11670	13.2
172.12436	2.7
173.13246	25.4
174.13676	1.5
175.14827	22.3
177.12816	2.9
177.16342	11.1
177.17653	1.4
179.14378	1.8
181.10126	2.5
182.10814	1.5
183.11681	7.6
184.12386	2.9
185.13214	11.8
187.14804	91.2
188.15163	7.3
189.12721	2.6
189.16360	17.7
191.14281	8.1
191.17964	4.2
192.14766	1.6
193.15973	1.7
195.11688	3.3
197.13312	6.0
199.14827	17.6
201.12737	1.8
201.16374	28.4
202.16803	2.8
203.14246	3.0
203.17987	9.1
205.15903	7.5
207.17519	2.2
209.13280	4.5
211.14719	6.7
213.16357	27.8
214.16772	2.7
215.14319	4.2
215.17931	16.5
217.15866	6.3
217.19505	3.1
223.14774	3.5
225.16435	6.1
227.14441	1.5
227.17960	9.5
229.15808	2.3
229.19493	5.0
231.17363	1.8
233.18987	4.1
239.17923	4.8
241.19490	10.7
243.17456	2.2
243.21072	7.7
251.17920	3.2
253.19530	5.8
255.20900	8.0
257.18979	1.8
263.17987	1.7
265.19449	2.5
267.21069	10.6
269.18945	1.7
269.22656	2.0
279.21030	3.2
281.22559	2.4
283.20566	3.3
293.22650	2.0
311.54861	1.9
317.32303	1.5
319.24155	1.6
321.25610	2.2
333.25842	2.5
337.25110	2.4
349.28912	2.2
361.29211	1.7
371.85187	1.5
379.33743	2.6
389.31952	11.2
390.32065	1.5
407.28470	6.5
407.33044	100.0
408.29279	1.7
408.33484	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	407.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.3
55.01866	1.0
55.05510	10.4
57.07067	3.2
59.04995	1.4
65.03942	1.7
67.05151	1.6
67.05496	18.3
69.03419	5.2
69.07056	13.9
69.29387	5.4
79.05486	13.6
81.07051	38.4
82.07378	1.4
83.04977	3.5
83.08611	6.7
85.06521	1.1
91.05470	16.6
93.07041	30.2
94.07382	1.2
95.04956	3.2
95.08599	46.2
96.08960	1.2
97.06515	2.4
97.10140	4.5
98.10596	0.8
99.08073	2.1
103.05519	0.8
105.07021	42.1
106.07350	2.1
107.08587	42.6
108.08874	1.3
109.06506	3.1
109.10149	31.1
111.08071	4.6
115.05411	1.7
117.07002	6.5
119.08566	38.0
121.10131	30.2
122.10454	1.9
123.08075	3.7
123.11710	12.6
125.09618	12.6
128.06250	2.5
129.06963	7.2
130.07762	1.1
131.08563	25.5
133.10120	26.8
134.10477	1.5
135.08006	1.2
135.11684	12.3
137.09605	3.6
137.13235	2.8
139.11172	1.2
141.06952	1.8
142.07784	2.8
143.08556	17.0
144.09294	1.9
145.10118	40.0
146.10660	0.9
147.08116	1.2
147.11679	16.6
149.09616	2.0
149.13246	18.9
151.11191	3.0
155.08557	3.7
156.09299	2.3
157.10123	13.9
158.10823	2.8
159.07974	0.9
159.10364	1.3
159.11681	22.2
160.12158	1.0
161.09589	1.7
161.13232	11.5
163.11119	1.6
163.14813	16.6
165.12689	1.9
167.08612	1.5
169.10075	5.0
170.10886	2.3
171.11679	11.4
172.12338	2.1
173.09669	1.4
173.13255	20.4
175.11249	2.0
175.14812	19.7
176.15176	1.0
177.12805	2.2
177.16368	13.7
181.10094	1.6
183.11656	6.1
184.12450	1.1
185.13235	12.7
186.13913	1.0
187.14804	70.1
188.15234	3.5
189.12872	1.1
189.16373	20.4
191.14328	4.7
191.17921	3.6
193.15855	0.9
195.11691	1.5
196.12367	1.1
197.13231	4.8
199.14784	12.7
200.15282	1.5
201.12721	1.8
201.16364	19.0
201.18108	1.5
202.16736	1.0
203.14308	2.3
203.17955	10.0
204.18204	1.2
205.15909	2.7
207.11549	1.4
209.13255	3.7
211.14798	6.0
212.15399	1.3
213.16365	23.9
214.16925	2.1
215.14310	2.5
215.17923	18.4
216.18375	1.2
217.15906	7.3
217.19493	4.1
219.17599	1.1
221.13205	1.1
223.14838	1.6
225.16394	6.1
227.17926	9.3
228.18436	1.3
229.15872	3.5
229.19476	5.9
231.17400	3.2
231.21155	1.1
233.19057	3.1
237.16333	2.7
239.17990	5.2
241.19495	10.8
242.20020	1.2
243.17465	1.9
243.20984	5.6
245.19099	2.1
251.17964	3.2
253.19502	5.1
254.19983	1.0
255.21088	9.0
256.21539	1.3
257.19128	2.2
257.22528	1.5
263.17822	1.1
265.19559	3.6
267.21008	9.4
269.19061	1.5
269.22623	3.2
277.19418	1.3
279.20987	2.6
281.22559	4.1
283.20511	2.7
283.24197	1.3
293.22714	1.8
295.24081	1.0
311.23627	1.7
321.26126	1.2
333.25790	2.9
337.25171	1.6
349.28989	2.2
351.26785	1.4
379.33548	2.3
389.31982	18.8
390.32343	2.8
407.33078	100.0
408.33447	15.6
415.65552	1.0
430.77945	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	4.9
57.07069	1.6
59.17680	1.0
67.05508	8.6
69.07068	8.1
70.06585	2.3
71.32758	1.9
74.61650	1.0
79.05486	6.6
79.77806	1.0
81.07051	12.0
83.04973	1.3
83.08604	1.8
91.05460	7.1
93.07041	12.2
94.75375	0.9
95.04998	1.6
95.08603	20.4
97.10165	1.2
105.07022	15.6
107.08584	14.6
109.10149	11.2
113.22935	1.0
117.07005	2.5
119.08579	17.7
121.06483	1.3
121.10134	14.6
122.10407	1.1
123.08050	1.7
123.11703	2.8
128.06097	1.4
129.06985	2.3
131.08559	11.2
133.10117	13.2
135.08025	2.8
135.11685	8.2
137.09602	1.4
137.13239	1.7
141.07007	1.2
142.07710	1.7
143.08543	6.5
145.10120	17.3
147.07953	1.4
147.11647	6.9
149.09673	1.4
149.13243	3.5
151.07541	1.8
155.08589	1.7
156.09308	2.6
157.10083	8.1
159.10753	0.9
159.11705	11.9
161.09322	0.9
161.13240	7.0
163.11160	10.4
163.14819	4.6
169.10092	2.2
170.10890	2.4
171.11630	6.5
173.13219	6.8
175.14796	3.1
177.12752	2.0
177.16322	1.3
183.11749	6.1
185.13232	16.4
187.14807	16.7
189.12761	1.7
189.16357	7.0
191.17932	5.5
195.11763	2.3
197.13199	1.8
199.14754	6.6
200.63826	1.1
201.12721	1.9
201.16367	16.0
202.16772	1.3
203.14372	2.6
203.17961	2.5
205.15884	14.6
209.13307	1.6
211.14771	2.1
213.16364	3.0
215.17934	2.1
217.15889	1.7
217.19540	2.4
219.17393	1.3
223.14940	1.5
225.16425	2.0
227.17976	2.2
229.19557	1.2
231.17424	1.3
239.17931	1.5
241.19304	1.3
253.19461	1.9
257.26645	1.9
269.22729	1.8
281.22748	1.0
301.29327	2.6
389.31970	4.5
407.20264	100.0
407.32416	23.9
408.20618	12.3
408.33002	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	407.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.3
55.05515	7.9
57.07064	3.1
59.04977	0.8
61.44288	0.6
65.03931	1.1
67.05504	13.3
69.07063	12.1
69.29554	5.2
79.05488	13.2
79.29122	0.6
81.07053	33.5
82.07365	0.9
83.04969	7.9
83.08608	5.8
85.06531	1.0
91.05470	12.6
92.05804	1.0
93.07042	28.4
95.04975	2.8
95.08600	36.7
96.08929	1.5
97.06512	1.8
97.10167	2.3
99.08078	0.8
100.17918	0.6
103.05464	1.1
105.07024	36.6
106.07390	1.1
107.08591	40.0
108.08922	1.3
108.18991	0.7
108.88544	0.6
109.06534	3.0
109.10146	22.4
110.10529	0.8
111.08092	1.6
111.11674	0.9
115.05457	1.3
116.06163	0.9
117.07030	6.6
119.08577	35.3
120.08910	1.2
121.06506	1.0
121.10134	33.7
122.10495	1.0
123.08073	1.9
123.11695	14.3
125.09603	2.4
128.06238	2.1
129.07007	6.1
130.07816	1.5
131.08553	23.8
133.07561	0.9
133.10120	27.6
134.10474	1.1
135.11679	13.1
137.09639	1.8
137.13240	2.5
139.11238	1.0
139.79250	0.7
141.07011	1.5
142.07785	2.7
143.08546	24.0
144.09457	1.5
145.10114	37.4
146.10591	1.1
147.08058	1.0
147.11661	12.3
149.09607	1.7
149.13255	16.5
150.13556	0.8
151.11153	4.5
155.08537	3.6
156.09325	2.0
157.10126	14.3
158.10878	2.9
159.11685	18.2
159.12930	1.3
160.12173	0.9
161.13254	9.6
163.11200	0.7
163.14804	13.4
165.12595	0.6
167.08563	1.0
168.09248	0.7
169.10103	4.4
170.10886	2.2
171.11671	10.0
172.12376	1.9
173.13251	20.6
173.14728	1.0
175.11203	1.3
175.14827	13.1
177.16391	8.9
181.03799	0.7
181.10144	1.8
182.10892	1.2
183.11690	6.5
184.12354	1.2
185.13226	9.8
186.13927	0.8
187.14806	50.2
188.15158	2.5
189.12779	1.3
189.16365	10.4
190.54158	0.7
191.14288	10.9
191.17924	1.8
193.10243	1.3
193.15982	0.7
195.11687	2.2
197.13281	6.7
199.14812	14.7
200.15363	1.4
201.13033	0.8
201.16357	15.4
201.18076	1.0
202.16891	0.7
203.14349	1.2
203.17973	7.0
205.15938	2.3
207.17400	1.4
209.13266	2.4
210.13838	0.8
211.14836	4.7
212.15639	0.8
213.16365	43.7
214.16800	4.8
215.14401	2.0
215.17940	24.0
216.18178	0.9
217.15912	6.0
217.19482	6.4
219.17441	1.0
223.14818	2.3
225.16321	4.6
226.17018	0.6
227.17937	9.4
228.18420	1.2
229.15839	2.2
229.19606	2.3
230.20052	0.7
231.17375	2.1
231.21147	2.5
233.19031	2.7
237.16437	1.6
239.17947	5.0
241.19511	12.9
242.20120	1.1
243.17438	2.4
243.21014	8.8
244.21353	0.8
245.19012	1.4
251.17955	2.0
253.19438	5.5
255.21053	11.5
256.21616	1.5
257.19025	2.4
263.18097	1.3
265.19528	3.4
267.21051	15.3
268.21310	0.8
269.19211	1.0
269.22681	3.4
277.19507	1.4
279.20978	1.9
281.22623	4.5
283.20688	3.8
283.23492	1.0
285.22101	0.8
293.22662	2.5
295.24109	1.5
297.21844	0.9
305.22302	1.1
307.24200	1.0
311.23737	2.8
319.24091	1.9
323.23724	0.7
333.25885	1.5
337.25262	2.0
349.28760	1.3
379.33557	2.1
389.31982	14.5
390.32526	2.1
407.24170	2.8
407.33063	100.0
408.33411	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	407.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.6
55.05508	17.9
56.99584	1.7
57.03417	1.9
57.07087	11.2
59.04993	1.8
65.03940	2.3
67.05503	32.0
68.36259	1.5
69.07068	23.5
70.60670	3.3
70.61034	3.3
71.04996	2.6
71.08626	7.5
79.05486	21.2
81.07050	43.7
83.04987	8.6
83.08618	14.2
85.06517	1.7
85.10184	4.6
89.06015	12.0
91.05473	25.0
93.07039	40.5
95.04943	5.1
95.08599	75.4
96.08915	2.5
97.06515	3.0
97.10168	4.4
100.76643	1.5
103.05402	1.4
105.07023	57.5
105.07719	3.3
106.07343	2.5
107.04944	2.4
107.08585	58.1
108.08898	2.8
109.06526	5.7
109.10152	37.2
110.10603	1.8
111.11732	2.9
117.07016	12.7
119.08572	73.0
119.42897	1.6
120.08876	3.5
121.06523	3.4
121.10139	42.9
122.10516	2.3
123.08070	7.2
123.11693	14.1
128.06212	2.3
129.07007	7.6
130.07782	3.5
131.08560	38.3
132.08887	3.5
133.06537	2.0
133.08606	8.6
133.10121	42.5
134.10507	2.6
135.08037	4.1
135.11682	25.3
137.09569	4.1
137.13264	6.0
139.11165	2.8
141.06973	1.9
142.07765	4.0
143.08542	22.4
144.09367	3.1
145.10117	68.3
146.10484	3.4
147.11690	22.9
149.09595	4.3
149.13266	22.9
151.07576	4.5
151.11176	3.3
155.08553	4.1
156.09328	3.4
157.10123	20.8
158.10895	5.4
159.11694	33.6
160.12012	2.0
161.13214	16.0
163.11188	12.2
163.14835	17.8
165.12689	3.1
169.10147	8.0
170.10930	2.4
171.11662	13.9
172.12373	2.7
173.13252	29.6
174.13762	3.3
175.11224	3.3
175.14784	25.5
176.15140	3.8
177.12808	2.9
177.16377	17.2
181.10054	2.4
183.11697	7.8
185.13254	15.4
187.14801	94.4
188.15190	5.1
189.16389	22.6
191.14320	4.2
191.17990	5.6
195.11832	2.3
197.13271	6.4
199.14821	13.4
201.16365	41.9
201.18082	3.0
202.16670	3.4
203.14342	3.7
203.17993	7.5
205.15842	21.0
207.17421	3.6
209.13228	1.7
211.14813	5.2
213.16376	18.0
215.14339	2.5
215.17924	10.8
217.15871	3.6
217.19551	4.1
219.17383	2.1
221.13432	1.9
223.14803	2.8
225.16425	5.9
227.17949	9.1
229.19597	2.8
231.17439	2.5
237.16397	3.4
239.14836	2.6
239.17967	6.9
241.19511	8.2
243.21123	4.3
251.17940	3.6
253.19405	8.5
255.17424	2.2
255.21040	6.5
257.19080	2.5
257.22659	2.1
265.19589	3.1
267.20972	5.7
269.19095	2.5
269.22540	3.9
279.20993	2.9
281.22604	3.3
295.24133	2.8
307.24277	2.6
311.23590	5.0
337.25211	2.7
363.30353	2.0
379.33475	2.2
389.32141	15.3
390.32159	2.9
407.28699	5.4
407.33047	100.0
408.33243	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	407.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	13.0
57.07065	5.8
62.44885	1.8
67.05502	20.1
68.99751	1.7
69.07059	17.0
71.04995	2.3
71.08619	3.9
79.05505	13.0
81.07054	48.3
83.04941	2.0
83.08618	11.4
85.06570	2.5
89.06020	2.8
91.05463	12.3
93.07037	26.2
94.07382	2.0
95.04991	2.0
95.08598	43.7
95.75739	1.9
96.70961	1.8
97.06539	5.3
97.10152	4.2
98.22587	6.6
105.07014	20.4
107.08591	44.8
107.09274	3.9
109.06508	5.3
109.10142	20.8
111.08113	2.9
113.00012	8.3
117.07034	6.4
119.08578	25.2
121.10145	24.8
123.08076	4.4
123.11688	10.7
125.09634	4.1
131.08556	13.4
133.10138	21.5
135.08075	3.7
135.11690	10.5
137.05968	1.9
137.09615	2.4
137.13199	9.1
139.11191	2.5
143.08577	6.2
145.10098	18.5
147.11681	21.2
149.13258	41.2
149.14418	2.1
151.11177	2.7
155.08539	2.0
157.10130	10.1
159.11690	11.8
161.13252	7.6
163.14810	69.0
164.15179	2.7
165.12717	3.7
169.02623	8.0
169.10121	2.7
170.10739	2.7
171.11658	10.9
172.62694	1.8
173.13235	13.5
175.11205	2.1
175.14810	11.5
177.16393	6.5
181.10085	2.0
185.13290	7.4
187.14786	19.9
189.16367	8.8
193.18367	1.7
197.13371	2.5
198.13997	2.0
199.14764	6.7
201.16272	10.3
201.80534	1.8
203.17903	6.4
205.15779	2.5
209.13327	2.2
213.16373	8.4
215.14383	2.1
215.17969	12.2
225.16219	1.9
225.55907	2.1
227.17931	8.3
228.18657	3.8
229.19440	9.6
231.17525	3.3
239.18016	2.5
241.19542	5.2
242.20311	2.4
243.21133	3.8
253.15883	6.0
253.19542	3.1
255.21092	14.2
257.19098	9.5
259.20758	2.5
269.22525	9.1
271.20441	2.8
283.20557	27.9
365.28482	2.4
366.49988	1.9
371.29407	4.1
389.31091	2.4
407.28607	5.4
407.33090	100.0
408.33490	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	407.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.0
55.01866	2.5
55.05513	13.6
55.77871	1.2
57.07050	4.2
67.05499	22.0
69.03410	4.0
69.07069	16.7
69.36096	1.3
70.06592	2.9
71.04975	1.6
71.33918	2.0
77.03907	1.8
79.05490	16.3
81.07054	45.8
83.04964	5.2
83.08614	13.1
85.06512	2.2
91.05471	23.6
93.07043	38.0
95.04937	3.6
95.08604	56.5
96.55989	1.2
97.06506	2.6
97.10152	4.2
99.08080	1.4
103.05388	1.2
105.04488	1.6
105.06323	2.5
105.07027	46.8
106.07371	1.4
107.08591	50.2
107.09322	2.9
108.08958	2.1
109.06499	6.1
109.10153	34.6
111.08092	6.4
117.07014	8.1
119.08582	46.2
121.06505	3.1
121.10140	42.6
123.08053	7.2
123.11712	16.6
125.09606	10.9
128.06125	1.8
129.06985	7.3
131.08568	32.5
133.06531	1.4
133.10123	35.9
134.10431	1.2
135.08025	2.1
135.11697	18.0
137.02333	3.8
137.05853	1.6
137.09578	4.8
137.13226	3.5
138.55339	1.3
139.11118	2.0
141.06931	3.3
142.07751	2.5
143.08557	24.1
145.10120	47.7
146.10503	2.1
147.08028	2.2
147.10756	1.2
147.11710	17.8
149.09589	2.5
149.13242	21.9
150.13472	1.5
151.07477	3.2
151.11148	5.3
155.08501	4.8
156.09271	4.6
157.10139	17.5
158.10822	5.5
159.11679	25.2
160.12131	1.6
161.09573	2.0
161.13263	11.2
162.10025	1.2
163.11192	1.4
163.14822	17.4
165.12735	2.3
169.10120	7.2
170.10902	2.4
171.11691	13.0
172.12306	1.6
173.13245	30.6
174.13641	2.0
175.11162	2.1
175.14804	20.2
177.12767	1.7
177.16393	15.1
181.10202	2.3
183.11653	7.2
185.13248	11.9
186.13849	1.6
187.14807	74.3
188.15169	2.4
189.12746	1.5
189.16367	18.0
191.14323	8.9
191.17957	1.8
195.11636	2.6
197.13239	5.2
199.14803	17.3
200.15335	1.4
201.12894	1.5
201.14651	1.8
201.16374	23.0
202.16750	1.3
203.14154	2.9
203.17937	11.1
205.15816	3.2
207.06477	2.7
207.17583	1.3
209.13255	2.3
211.14801	6.1
213.16370	44.6
214.16870	4.1
215.14473	1.3
215.17952	27.0
216.18224	1.5
217.15884	6.4
217.19521	5.9
223.14680	1.3
225.16385	6.8
227.17943	12.4
228.18362	1.3
229.15791	3.7
229.19473	5.0
231.17348	3.9
233.18951	4.4
237.16400	3.5
238.17107	1.2
239.17911	5.1
241.19536	12.9
242.19954	1.5
243.17297	2.2
243.21106	6.5
245.19006	2.5
251.17819	3.2
253.19426	4.9
255.12602	1.3
255.21056	11.6
257.18900	2.6
261.22052	1.8
265.19455	3.7
267.21060	17.9
269.18881	1.8
269.22501	1.9
279.20776	2.0
279.23489	1.7
281.22617	4.5
283.20572	5.8
283.23999	3.4
293.22604	2.3
301.25815	1.3
301.29291	3.4
311.23618	2.7
333.25885	1.7
337.25006	1.4
347.27286	1.7
349.28745	2.2
379.33582	2.7
389.32068	16.4
390.32404	2.5
407.23911	4.4
407.32932	100.0
408.28183	1.7
408.33234	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	407.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
55.01846	1.6
55.05504	11.1
57.07059	5.2
59.04981	1.5
65.03932	2.1
66.31834	1.2
67.05501	21.9
69.07064	16.7
70.70322	3.3
71.04967	2.1
71.08632	1.4
79.05486	16.0
81.07051	36.6
83.04980	2.3
83.08614	10.4
85.06538	1.8
91.05473	16.0
93.07034	32.1
95.04962	4.5
95.08598	72.9
96.08945	2.3
97.06507	1.7
97.10146	4.6
99.08054	1.4
105.07024	54.0
105.07736	2.7
105.17979	1.0
106.91648	1.2
107.08591	54.6
109.06511	4.0
109.10150	36.8
110.10463	2.1
111.08058	2.5
117.07018	7.8
119.08567	65.9
120.08868	2.3
121.06525	2.1
121.10136	44.2
122.10427	1.9
123.08061	3.0
123.11692	13.9
128.06184	2.2
129.06961	4.5
130.07784	3.7
131.08565	30.4
132.08881	1.8
133.10120	38.8
134.10454	1.7
135.08038	4.3
135.11690	19.8
136.12027	1.6
137.09578	3.4
137.13252	4.5
140.75238	1.2
142.07747	1.9
143.08536	12.8
144.09268	4.0
145.10117	65.8
146.10519	2.4
147.11679	22.5
149.09573	3.3
149.13245	20.5
151.11151	4.3
151.14818	1.4
154.07785	1.2
155.08499	2.3
156.09300	3.4
157.10107	15.4
158.10881	5.3
159.08075	3.1
159.11682	32.5
160.12086	2.0
161.09560	2.3
161.13226	16.4
163.11160	3.2
163.14803	14.6
169.10117	4.9
171.11667	11.9
172.12436	4.7
173.09550	2.5
173.13271	21.3
175.11243	2.4
175.14810	21.9
176.15158	1.4
177.12738	3.5
177.16370	18.9
183.11624	6.7
185.13252	12.5
187.14806	100.0
188.15144	3.9
189.12735	2.4
189.16388	21.3
191.14275	3.8
191.17912	3.7
195.11716	2.8
197.13336	6.6
199.14815	12.8
201.12700	2.5
201.16373	40.0
202.16725	2.3
202.70830	1.3
203.14314	4.4
203.17941	11.6
205.15868	23.4
205.19612	1.8
206.16260	2.7
207.17444	5.1
209.13344	3.1
211.14780	5.8
213.16353	11.5
215.14409	9.8
215.17900	9.6
217.15894	5.0
217.19502	2.3
223.14627	1.5
225.16338	5.9
227.17960	5.5
229.15919	6.1
229.19475	4.0
231.17375	4.2
233.18964	4.4
237.16380	2.6
239.17920	3.1
241.19456	4.2
243.17442	4.1
243.21321	2.9
251.17929	2.4
253.19511	4.7
255.17514	2.2
255.21042	6.2
259.20563	1.7
263.17502	1.4
265.19574	2.3
267.21198	1.5
269.22430	2.1
283.20679	2.1
283.24155	2.9
293.22528	3.9
297.22052	1.7
301.29391	1.5
307.24384	1.7
311.23657	19.1
312.23959	2.4
337.25168	3.5
367.15759	1.3
389.32147	10.7
407.33026	74.2
408.33398	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	13.6
57.07067	4.9
65.03437	0.9
65.03945	2.1
66.22178	1.0
67.05502	25.7
69.05622	2.9
69.06039	7.5
69.07069	23.3
79.05492	20.3
81.07053	46.4
83.08613	9.2
85.06540	1.4
88.20066	0.9
88.52438	1.0
91.05476	25.2
93.07043	41.9
95.04961	2.4
95.08602	78.2
96.08955	1.5
97.06523	2.6
97.10151	3.0
104.55456	0.9
105.04520	1.4
105.07026	59.2
106.07387	2.3
107.08589	62.2
108.08925	1.8
109.06528	2.7
109.10151	39.0
110.10535	1.3
111.08145	2.0
111.11667	1.2
111.19100	1.1
115.05470	1.6
116.06287	1.2
117.06998	11.0
119.08579	76.0
120.08926	3.3
121.06528	1.6
121.10140	51.7
122.10480	1.5
123.08062	4.2
123.11698	15.6
125.09637	1.5
128.06219	2.9
129.06976	6.0
130.07802	2.7
131.08569	36.9
133.10126	46.7
134.10466	1.6
135.08032	4.0
135.11670	20.6
136.12151	1.2
137.09595	3.9
137.13264	4.6
139.11201	2.2
141.06973	1.5
142.07782	3.0
143.08563	16.4
144.09332	4.0
145.10118	74.8
146.10492	2.5
147.11690	25.5
149.09685	2.9
149.13258	21.4
150.13568	2.1
151.11211	3.7
153.07030	1.2
155.08560	3.9
156.09319	3.1
157.10138	18.1
158.10941	5.0
159.08075	3.2
159.10367	1.9
159.11693	35.3
160.12163	1.7
161.09695	1.8
161.13275	14.9
161.29330	1.1
163.11179	2.9
163.14812	17.2
165.12801	1.5
169.10139	5.2
170.10907	4.1
171.11685	13.7
172.12460	4.9
173.09602	2.4
173.13251	23.8
174.13638	1.8
175.11160	1.9
175.14812	28.0
177.12808	2.3
177.16360	19.8
182.10902	1.3
182.41618	1.3
183.11606	7.2
184.12422	2.3
185.13263	15.1
186.13809	1.9
187.14816	100.0
188.15170	6.3
189.12775	2.4
189.16383	25.9
189.18019	1.9
190.16832	1.3
191.14296	4.3
191.17973	2.9
195.11684	2.8
197.13295	6.5
199.14828	10.8
201.12840	3.0
201.16376	34.9
202.16771	1.7
203.14311	2.9
203.17909	10.1
205.15891	24.5
205.19551	3.0
206.16254	1.3
207.17372	5.9
208.17876	1.3
209.13298	2.6
210.13911	1.4
211.14848	3.8
213.16396	10.9
215.14349	10.3
215.17886	10.2
217.15842	5.1
217.19530	2.3
219.17484	1.9
223.14787	3.6
223.48354	1.3
225.16301	5.8
227.17958	8.2
229.15886	5.5
229.19537	3.8
231.17474	4.2
233.18961	4.9
237.16321	2.0
239.17969	6.0
241.19542	6.4
243.17532	5.1
243.21039	3.2
245.19005	1.5
251.17972	2.6
253.19487	3.1
255.21098	5.3
257.19000	2.6
265.19464	1.6
267.21069	3.0
269.19028	2.4
269.22604	3.5
277.19382	1.6
279.21194	1.3
280.35376	1.1
281.22632	2.2
283.20798	2.0
283.24155	1.9
295.24112	1.4
297.22186	1.4
311.23672	18.5
312.24051	1.6
319.24231	1.4
333.25845	1.4
337.25287	5.6
351.26788	1.5
389.32019	13.8
390.32602	1.6
407.07449	1.1
407.28690	3.1
407.33075	81.8
408.33548	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	407.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.6
55.01860	1.5
55.05508	7.5
57.07067	2.6
65.03933	1.2
67.05502	12.2
69.03430	0.9
69.07061	18.9
69.27618	6.0
69.28019	1.4
71.04984	1.4
79.05492	9.3
81.03353	0.8
81.07050	22.2
81.07493	1.9
83.04976	3.0
83.08621	6.6
85.06528	1.3
91.05470	14.1
93.07040	20.3
95.04980	1.6
95.08603	28.3
97.06533	2.5
97.10183	2.1
98.22610	2.0
105.07024	24.7
105.07722	1.6
106.63877	1.0
107.08592	24.4
108.08904	1.4
109.06520	2.6
109.10147	19.8
111.08067	2.0
114.35263	0.9
117.07026	4.4
119.08573	35.6
120.08952	1.4
121.06514	1.8
121.10143	19.5
123.08088	4.7
123.11690	9.6
125.09666	2.7
128.06223	1.3
129.07040	3.4
131.08554	18.0
133.06544	1.1
133.10118	32.0
134.10397	1.1
135.08064	1.9
135.11690	11.9
137.09641	4.1
137.13252	1.9
139.11217	2.5
141.06970	1.2
142.07780	1.9
143.08572	8.7
144.09325	1.6
145.10123	25.0
145.11200	1.6
147.11679	16.3
148.01138	1.1
148.12073	1.1
149.09570	1.1
149.13237	8.8
151.07507	1.4
151.11203	1.5
155.08580	2.9
156.09338	2.0
157.10124	11.2
158.10896	2.2
159.11673	19.4
161.09644	1.6
161.13245	13.8
162.13725	0.9
163.11256	2.1
163.14746	5.6
169.10146	3.8
170.10858	1.2
171.11670	7.3
172.12471	1.8
173.13254	11.1
174.13651	1.5
175.11230	2.8
175.14824	15.1
177.12807	2.5
177.16388	5.9
181.10181	1.9
182.10776	1.0
183.11694	4.6
184.12289	1.5
185.13242	6.6
187.14813	36.4
188.15219	3.3
188.24080	1.0
189.12762	1.8
189.16379	43.2
190.16716	2.3
191.14261	4.4
191.17995	2.0
193.15941	3.6
195.11722	1.6
197.13258	4.5
199.14764	6.4
201.12776	4.3
201.16374	24.2
202.16895	2.3
203.14325	4.1
203.17960	8.8
205.15886	2.2
207.11765	1.5
207.17511	2.1
209.13295	2.0
211.14874	3.0
213.16388	8.4
214.17024	1.6
215.14432	1.3
215.17935	11.8
217.15857	6.1
217.19560	2.5
219.17462	2.0
221.13344	1.4
223.14920	1.6
225.12622	1.0
225.16409	4.7
227.17970	5.3
229.16107	1.6
229.19548	3.9
231.17419	5.1
233.19061	1.9
237.16447	2.3
239.17964	3.5
241.19489	2.7
243.17436	1.4
243.21251	1.5
245.19122	1.7
251.17981	2.5
253.19504	1.9
255.21043	7.9
257.18903	1.4
259.20630	1.9
265.19632	2.4
267.21054	2.0
269.22620	1.8
279.21167	2.0
281.19431	1.8
281.22638	5.8
293.22672	1.5
305.22885	1.0
321.25540	1.6
323.23831	1.2
337.25266	2.4
351.26776	2.4
365.28647	1.7
379.29926	1.8
389.27875	1.7
389.32184	7.8
407.24081	8.9
407.33130	100.0
408.29166	0.9
408.33517	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	407.331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.7
55.01868	1.2
55.05510	14.0
57.03430	1.5
57.07081	4.4
59.97421	1.1
65.03921	1.4
67.05162	1.7
67.05505	24.4
69.03419	2.8
69.07070	17.4
71.04982	3.1
71.08596	1.2
77.03914	1.8
79.05045	1.3
79.05496	21.7
81.03426	1.5
81.07057	48.9
82.07387	1.6
83.04984	6.7
83.08622	8.4
83.61653	1.0
85.06551	1.2
91.05477	23.0
93.06446	2.0
93.07043	45.0
95.04958	4.8
95.08606	70.5
96.08925	1.4
97.06537	3.5
97.10166	4.6
98.22531	2.4
98.97620	1.0
99.08105	1.8
103.05489	2.3
105.07030	63.1
107.04963	2.6
107.08594	59.6
108.08917	2.0
109.06499	5.6
109.10157	38.5
110.10467	1.0
111.08082	4.5
115.05438	1.6
116.06264	1.8
117.07006	9.3
119.08586	68.5
119.77195	1.2
120.08888	2.3
121.06496	2.9
121.10143	40.9
122.10429	1.1
123.08068	4.9
123.11703	14.7
125.09604	7.1
125.93836	1.1
128.06166	2.3
129.07030	9.2
130.07790	2.9
131.08565	36.2
133.06502	2.4
133.10133	37.8
135.08047	3.4
135.11693	22.6
137.06001	1.7
137.09610	4.4
137.13260	3.3
139.11209	1.4
141.06961	2.9
142.07813	4.4
143.08560	22.7
144.09270	3.6
145.10124	57.2
146.10504	3.0
147.08090	3.5
147.11687	25.7
149.09633	2.4
149.13269	20.3
151.03902	1.7
151.07568	1.4
151.11180	18.1
155.08559	7.8
156.09361	4.1
157.10139	23.6
158.10870	3.8
159.08040	1.4
159.11703	35.5
161.09628	2.7
161.13260	14.9
163.07570	1.7
163.11201	3.9
163.14827	22.9
165.12662	1.4
167.07063	4.6
169.10101	7.5
170.10901	3.0
171.11691	18.8
172.12341	2.6
173.09663	1.5
173.13258	33.0
174.13589	2.3
175.11197	3.6
175.14832	25.5
176.15031	1.1
177.12770	1.4
177.16388	15.9
181.04802	1.2
181.10139	2.7
182.10950	1.3
183.11697	9.5
184.12422	2.0
185.13260	15.9
186.13657	1.2
187.14818	73.3
188.15176	4.4
189.12755	2.6
189.16364	19.9
189.17995	1.6
191.14366	4.0
191.17993	4.2
193.16043	1.2
194.10898	1.1
195.11703	3.9
197.13297	8.8
198.13966	2.2
199.14809	18.0
200.15350	1.4
201.12846	3.0
201.16394	28.8
202.16687	1.8
203.14343	8.5
203.17976	13.5
204.18370	1.2
205.15883	9.1
207.11755	2.0
207.17455	2.4
209.13284	3.8
210.14076	1.2
211.14732	5.6
213.16373	27.6
214.16985	3.2
215.14339	3.7
215.17917	19.2
216.18224	1.6
217.15913	4.9
217.19542	4.5
219.17444	2.3
221.13191	1.5
223.14861	3.7
225.16437	5.8
227.17961	8.7
229.15884	8.7
229.19528	4.8
231.17473	3.9
231.21091	1.5
233.19034	3.2
237.16447	3.1
239.17836	5.1
241.19487	7.2
243.17509	3.7
243.21132	7.0
245.19116	2.1
251.17993	2.9
253.19615	3.9
255.21066	8.1
257.18939	2.8
259.20688	1.5
265.19461	4.3
266.20279	1.2
267.21066	6.9
269.19312	1.3
269.22571	2.0
271.20590	2.3
279.21091	3.1
281.22543	2.4
283.20615	4.6
283.24158	3.6
293.22708	3.3
297.22073	1.6
297.25668	1.5
307.24222	1.8
311.23621	6.8
319.24283	2.4
337.25333	3.1
349.29010	4.0
369.24072	1.4
379.33707	2.7
389.19290	1.3
389.32062	20.3
390.32516	3.8
407.15985	2.4
407.21286	10.0
407.33115	100.0
408.33566	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	407.3672
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
55.05510	26.4
57.03443	3.2
57.07071	11.1
63.74829	2.3
67.05166	3.8
67.05504	41.6
69.07064	49.1
69.07920	21.5
70.06596	3.5
71.04981	4.4
71.08626	4.7
75.39157	1.9
76.19109	2.1
79.05492	17.0
80.52343	2.1
81.07056	100.0
82.07397	3.8
83.08616	27.7
86.29229	2.2
89.06040	4.4
91.05501	11.2
93.07039	32.1
95.08606	94.5
97.10169	15.8
103.05473	3.1
105.07014	20.5
107.08598	33.6
109.10151	57.6
111.11720	8.3
119.08594	27.9
121.10136	26.4
123.11708	30.9
125.13239	2.8
131.08585	12.3
133.08607	4.1
133.10121	20.5
135.11673	21.6
137.13272	11.6
141.10222	6.4
143.08557	6.9
145.10132	16.3
147.11603	16.5
149.13268	14.3
151.14812	3.5
157.10141	8.8
159.11682	15.9
161.13225	12.1
163.14810	9.3
165.12817	2.4
171.11696	8.8
173.13278	13.3
175.14871	12.5
177.16362	8.0
183.11586	3.9
185.13286	10.0
187.14799	12.5
189.16403	10.2
191.17955	5.3
195.12172	2.8
199.14813	8.2
201.16325	11.0
203.17960	8.4
213.16400	8.3
215.17932	9.3
217.19598	3.5
222.96602	2.6
225.16368	5.3
227.17981	8.4
228.18568	3.1
229.19481	6.1
241.19527	3.8
255.21161	6.9
256.21591	2.4
257.22644	4.9
269.22617	7.3
271.24182	3.1
281.22687	3.1
283.24115	7.1
297.25790	6.1
297.86078	2.4
325.28650	3.0
337.28763	2.8
351.30301	3.3
365.32037	3.1
389.37860	4.9
407.36829	71.0
408.37283	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	408.186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21708	1.5
85.02882	5.1
89.10372	1.5
94.04188	2.0
95.04989	2.3
105.07004	3.2
109.06483	1.7
116.07106	2.0
119.04917	3.2
122.03600	2.7
123.04398	3.9
137.05969	100.0
138.06328	2.4
144.65604	1.7
147.04399	7.1
151.07544	6.3
153.05469	2.9
154.06090	2.0
163.03906	1.9
167.07053	5.3
179.07045	9.8
179.71541	1.7
193.04924	1.7
198.15067	1.7
210.90927	2.0
211.09633	80.6
212.10065	3.1
245.04471	2.1
257.04477	5.0
287.05450	5.5
409.08987	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	408.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83385	0.8
58.77475	0.8
61.62550	0.8
63.07315	0.7
69.21188	7.4
69.21511	0.7
74.71845	0.9
84.07672	0.7
85.02892	2.8
94.58746	1.0
105.97654	0.9
107.04970	0.9
121.06502	1.4
121.35732	0.9
123.04427	1.2
149.05981	1.9
154.42628	0.8
167.07045	100.0
168.07413	4.9
181.08615	2.3
193.08603	3.6
208.41078	0.9
211.09659	15.8
229.10716	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.7
62.15291	0.7
67.05497	1.2
69.03423	1.0
69.07079	1.8
71.04975	1.1
79.05447	1.0
80.48584	0.6
81.03456	1.1
81.07056	2.6
81.45550	0.8
83.04968	1.0
85.02888	2.8
85.06530	1.0
91.05487	2.7
93.07047	2.5
95.04951	2.4
105.03393	1.1
105.07024	3.0
107.08569	1.4
109.06478	1.9
109.10176	1.2
119.08569	1.3
121.10201	0.9
123.04416	2.3
123.08091	1.0
124.03964	1.7
131.03516	0.7
131.08560	1.5
133.10144	11.8
137.06033	1.7
147.11691	2.7
151.03925	0.9
151.07587	2.4
151.11189	10.1
151.12326	1.3
155.07028	3.0
165.12857	0.9
167.07059	2.4
175.03717	0.7
175.11227	2.2
189.36832	0.7
193.12231	6.6
207.10272	1.0
211.13280	21.7
212.13701	1.1
222.03831	1.0
228.75270	1.2
229.14346	4.6
245.04396	1.0
257.04242	0.9
283.05850	0.9
285.08719	1.0
287.05371	1.1
313.08121	0.9
318.23825	0.9
331.09253	1.5
345.10617	1.2
409.18314	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18584	4.3
55.05515	5.1
60.09255	4.1
71.34100	3.9
79.05492	6.2
81.03400	4.6
83.05009	5.1
91.05482	10.8
91.91087	4.0
93.07061	5.8
95.04948	17.3
95.08595	8.9
96.05317	6.1
105.07033	7.1
106.16088	4.3
107.08608	6.1
119.05022	4.4
119.08575	7.2
121.06488	7.1
123.04427	26.9
123.08057	7.6
124.04751	8.0
133.06497	7.5
134.06749	4.7
135.08009	5.4
137.05960	15.2
140.04688	5.4
147.04401	23.5
151.07509	24.2
152.07932	7.3
155.06973	7.8
156.07410	5.9
161.05954	11.3
167.07028	73.5
177.05476	9.3
181.04936	10.4
181.08647	8.3
182.05301	9.4
183.06558	20.1
183.11722	4.7
184.06856	15.3
184.81024	4.4
189.05515	8.5
193.08658	7.6
209.07848	6.8
226.08246	5.0
227.18509	4.7
229.05013	15.5
245.04524	9.5
257.04419	100.0
287.05365	7.5
409.09042	42.5
418.04770	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	408.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03421	5.2
69.07061	4.9
69.38831	10.5
69.39247	15.0
71.05004	12.2
79.05501	7.7
81.07044	8.9
83.08634	3.9
85.02898	10.1
91.05486	9.1
93.07050	15.3
95.04958	4.3
95.08614	23.7
97.02901	5.1
105.07058	5.7
107.08624	18.0
109.02943	4.0
109.10162	12.0
121.10158	12.8
123.04470	4.8
123.11720	6.5
127.07518	5.5
133.06487	5.2
133.10152	6.7
135.04436	26.2
137.05971	3.8
149.13229	23.0
153.01836	31.0
153.02985	5.2
155.07021	5.0
158.07335	6.0
167.07076	7.4
167.14325	79.6
168.14700	4.7
175.14815	4.1
183.06462	5.7
186.06696	6.1
191.34334	3.5
193.15936	9.0
201.09097	81.0
211.16956	11.6
227.05621	12.1
229.08601	17.8
247.09641	57.8
257.04443	6.8
355.08340	3.9
358.13474	3.6
368.38800	3.7
409.13910	18.0
409.19009	100.0
426.68500	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	20.3
59.95736	10.3
60.33572	12.7
67.05515	31.7
69.03432	16.0
69.07069	31.0
70.47308	36.8
71.04988	13.3
79.05482	16.7
81.03431	11.7
81.07089	27.4
85.02907	22.6
85.06542	20.3
91.05511	12.4
93.07044	29.2
95.08614	41.9
97.06575	14.6
99.04501	13.1
105.07037	15.6
107.08631	47.5
107.66341	11.4
109.10135	31.5
115.07666	11.8
117.06988	15.4
119.08606	40.8
121.10168	17.7
121.95854	10.5
123.04408	29.1
123.08076	16.3
123.11725	24.0
133.10126	36.0
135.11684	29.0
137.06029	14.7
140.81734	12.5
143.08566	13.7
147.11662	21.1
148.08354	11.7
159.11662	12.0
160.67091	11.8
167.07097	35.9
171.11714	15.0
175.14847	60.2
192.64197	11.8
193.15933	49.9
211.16907	100.0
212.17265	15.6
247.13237	22.6
408.29626	22.3
409.08832	15.5
409.18472	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	408.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35403	3.6
55.01871	4.9
55.05505	6.9
67.05507	7.9
69.03418	6.1
71.04993	78.2
79.05524	6.6
79.68188	3.6
81.03426	5.2
81.07050	22.7
82.39237	4.2
85.02908	10.7
85.06543	7.1
91.05469	13.0
92.73055	3.9
93.07050	12.8
95.04959	4.5
95.08617	13.3
97.02897	8.3
105.07034	12.3
107.08596	12.7
109.10156	7.0
119.08603	14.1
120.08125	10.7
121.06602	4.3
121.10130	9.5
123.04503	6.1
123.11721	28.3
125.09624	22.4
129.06947	4.3
133.06415	4.9
133.10144	6.3
135.04520	4.7
135.08081	4.2
135.11647	3.7
137.06033	6.5
139.03883	5.2
141.12735	5.8
143.10667	41.0
145.10129	7.0
147.04398	9.7
149.09636	4.2
151.07544	7.6
159.11688	5.2
161.46582	4.7
167.07033	26.7
168.07414	14.3
169.10049	4.1
175.14914	6.2
176.53299	4.0
193.15932	9.1
211.09601	5.4
211.14961	7.7
211.16942	100.0
212.09941	6.4
212.17220	4.7
229.18063	9.8
254.77081	4.1
257.04611	7.3
409.08966	7.6
409.18250	9.1
409.31000	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	409.0916
Annotation	Prostalidin B
Peak:m/z	Relative Intensity
53.03899	0.3
55.01827	0.3
65.00790	0.2
65.03896	0.4
67.05439	0.5
69.03391	0.3
73.07371	0.2
74.82595	0.2
77.03876	0.2
79.01776	0.5
79.05431	0.4
81.03358	0.5
83.04948	0.3
91.05473	0.8
93.06970	0.2
95.04970	0.8
97.02859	0.3
97.06530	0.9
98.22583	0.4
99.04392	0.2
105.03326	0.2
105.06952	0.6
107.01263	0.3
107.08544	0.5
109.02805	0.7
109.06472	0.2
113.39149	0.2
117.06976	0.2
119.04934	1.8
121.06441	0.4
123.04424	4.6
125.02296	0.3
125.05927	0.4
127.03931	0.8
127.06703	0.3
127.07542	3.6
131.04904	0.3
133.06407	0.5
133.09998	0.2
135.08058	0.9
137.05965	1.1
140.04585	0.3
143.03326	0.6
145.06465	0.3
147.03320	0.2
147.04399	4.2
151.03802	0.3
153.01819	9.3
153.02945	0.6
153.05350	0.2
154.02107	0.2
155.04849	0.7
155.07018	1.2
163.07469	0.4
165.05374	0.6
165.09077	0.3
167.06917	0.5
171.02893	0.2
171.04326	0.2
173.05919	0.6
173.13194	0.2
175.03899	1.5
180.07784	0.3
181.04953	1.5
183.04448	0.4
183.06549	2.1
189.05441	0.2
201.05426	1.3
202.06134	0.3
203.03374	6.6
204.03719	0.4
208.07289	0.3
213.05365	0.6
215.03288	0.3
219.13751	0.4
225.07520	0.4
227.03409	0.3
227.05464	3.3
229.04945	13.1
229.12227	0.3
230.05397	1.1
241.04933	0.5
245.04446	10.3
246.04707	0.4
247.13211	0.3
253.05026	0.2
257.04419	100.0
258.04886	8.2
259.05756	0.3
266.00757	0.2
269.04434	0.7
269.07562	0.2
271.05948	1.3
286.04770	0.2
287.05441	4.5
288.05826	0.4
299.05588	0.3
317.77243	0.2
391.08105	0.5
409.09253	29.4
409.18204	22.1
410.09543	2.8
410.18475	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0913
Annotation	Prostalidin B
Peak:m/z	Relative Intensity
55.05480	0.4
69.44765	0.5
69.45172	1.3
79.05460	0.5
81.03355	0.3
81.07036	0.4
83.04913	0.5
91.05474	1.3
93.06969	0.4
95.08569	0.3
103.05416	0.3
105.03360	0.3
105.06985	0.3
107.08588	0.4
109.02837	0.5
111.04343	0.3
115.05453	0.3
119.04939	2.3
123.04430	4.3
127.07450	0.3
131.04880	0.3
131.08492	0.3
135.04338	0.7
135.08054	0.6
137.05933	0.3
145.06445	0.6
147.04393	4.6
151.07495	0.3
153.01765	1.0
155.04866	0.9
159.07948	0.3
161.05994	0.3
163.03976	0.3
163.07539	0.6
165.05499	0.3
167.06937	0.7
173.05974	0.7
175.03862	1.4
183.04340	0.6
187.03867	0.4
187.11200	0.3
201.05415	1.7
202.06294	0.3
203.03368	6.5
213.05437	0.8
215.03336	0.4
217.05032	0.4
229.04944	12.4
229.12148	0.3
230.05437	1.1
241.04837	0.7
245.04442	9.6
246.04704	0.7
257.04419	100.0
258.04889	8.3
259.05966	0.7
269.04453	0.7
271.06067	1.4
287.05484	5.3
288.05844	0.3
391.08014	0.6
409.09180	32.3
409.17752	2.6
410.09207	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	409.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.6
55.05517	2.2
56.05850	0.6
56.79881	0.4
57.03413	0.6
58.99584	0.9
67.05495	0.5
68.99777	0.7
69.03423	0.6
70.94334	0.7
71.04984	0.7
72.80403	0.5
76.86669	0.4
78.01805	0.5
79.05480	0.5
79.78120	0.4
81.03412	0.7
81.07065	1.1
83.08610	1.8
84.04499	1.9
84.08933	0.8
85.02898	1.2
85.04802	0.7
86.99078	0.6
91.05480	0.5
95.08618	0.4
99.04430	0.5
101.98631	0.4
105.03379	0.6
107.08620	0.7
115.05405	0.5
116.01665	3.1
117.02074	0.8
118.01263	0.8
119.08525	0.5
121.10157	0.5
123.04433	4.7
124.07608	0.7
135.08076	0.5
139.03857	0.5
142.68558	0.4
144.01131	1.0
149.09627	1.0
151.03893	0.8
159.08379	1.4
160.08682	0.7
162.02191	5.2
163.02530	1.8
163.03821	0.5
164.01761	1.0
166.17183	0.4
167.07094	0.5
173.07176	0.5
175.03888	1.0
193.05034	1.0
196.10040	0.6
197.07178	0.7
197.10675	0.7
198.07878	1.7
199.08629	2.5
200.09393	1.2
203.03387	1.8
211.08636	4.8
211.12250	0.6
212.09344	2.1
213.10106	3.4
215.08218	1.3
215.11792	1.1
217.09735	2.3
223.12447	1.1
224.09431	0.6
225.06677	0.7
225.10197	4.8
226.10968	0.6
227.08167	1.8
227.11682	0.6
229.04884	1.0
229.09686	3.0
230.10880	0.5
231.11308	1.2
238.07460	1.2
239.08141	7.7
239.11780	4.1
240.08867	3.7
241.09668	6.3
242.10429	1.4
243.07599	1.3
243.11282	7.9
245.04483	1.6
249.10243	0.7
251.11920	0.6
252.08940	1.3
253.09691	7.7
254.10266	0.9
257.04459	2.2
257.09192	2.5
257.12845	1.7
258.09827	1.1
259.10706	3.7
260.11469	0.5
261.10919	0.7
262.11142	2.7
263.11417	2.2
264.10580	0.5
267.07629	1.9
267.11292	6.0
268.08389	7.8
268.11328	0.7
269.09082	1.5
269.12769	1.2
271.06070	1.1
271.10754	31.8
272.11084	3.0
273.12372	1.7
274.12598	0.6
275.10254	2.6
276.10660	0.5
277.11832	3.8
281.09280	1.8
283.06003	1.7
283.10703	0.5
285.08728	2.0
285.12332	5.2
286.12866	0.9
287.05499	4.7
287.13928	0.8
289.11826	2.8
290.12573	0.5
295.10757	5.5
296.11194	0.8
297.12567	0.6
299.05530	0.8
299.13971	1.1
300.11041	1.6
303.09732	1.0
303.13290	0.7
313.11789	7.2
314.12265	1.0
315.13394	0.7
317.11301	2.2
318.11969	0.9
323.10199	10.3
324.10443	0.7
326.08911	0.7
327.13351	2.4
331.12912	0.9
334.15106	0.9
335.12308	3.9
341.11313	18.7
342.11523	1.3
345.14224	2.6
349.13956	0.8
355.12930	4.5
359.12277	3.0
360.12582	0.6
373.13898	14.8
374.14066	1.0
391.14963	27.4
392.15280	2.4
409.09946	3.8
409.16000	100.0
410.10367	0.6
410.16415	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	409.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46520	0.2
67.89938	0.1
71.35236	0.4
107.01060	0.5
120.23329	0.2
122.09838	0.2
146.06018	0.5
147.06334	0.3
154.90059	0.2
173.56227	0.2
175.44659	0.2
175.51953	0.2
176.40865	0.2
178.30730	0.2
203.05237	0.5
247.13081	3.8
257.04700	0.2
287.05426	0.2
409.18323	100.0
410.18683	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.3
55.01875	0.4
67.05494	0.7
69.40781	1.6
69.52730	0.2
73.60464	0.3
79.05473	0.2
80.06628	0.2
81.03394	0.5
81.07063	0.4
91.05492	0.9
93.07034	0.4
95.04945	1.3
96.50921	0.3
97.06526	1.4
105.07032	0.3
107.08608	0.3
119.04948	0.6
119.08603	0.4
121.06444	0.3
123.04425	2.5
125.05967	0.3
127.07552	3.8
137.05969	0.4
140.04745	0.4
147.04390	0.9
151.03818	0.3
153.01836	0.3
153.05446	0.3
155.07050	1.1
165.05484	0.8
167.07039	2.6
175.03835	0.3
179.06961	0.3
180.07851	0.4
181.04941	1.8
183.06551	2.3
193.04965	0.3
201.05489	0.6
203.03445	1.3
208.07312	0.4
225.07512	0.4
226.08380	0.4
229.04958	2.7
230.05605	0.4
245.04448	2.9
246.04973	0.4
247.13179	0.4
257.04431	19.3
258.04987	1.9
287.05481	1.3
409.09259	8.0
409.18301	100.0
410.09518	0.8
410.18631	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	409.1831
Annotation	Diaspanoside B
Peak:m/z	Relative Intensity
57.02377	0.5
67.05474	1.0
69.03410	0.6
69.11591	4.7
78.24721	1.0
79.05494	0.7
81.03376	1.7
81.07016	0.6
83.04955	0.6
86.09747	0.6
91.05460	0.8
93.07034	1.0
95.04924	0.8
105.07007	1.1
107.08569	1.9
109.02877	0.7
109.10147	0.6
119.04887	0.6
119.08575	1.1
121.06477	1.1
123.04415	2.0
123.08031	0.8
131.08553	0.9
135.08031	2.2
137.05983	0.6
139.03801	0.6
145.10017	0.6
147.04398	0.9
147.08017	0.6
149.05995	0.6
159.11697	1.3
161.09518	0.7
167.07043	6.6
173.13274	1.0
175.03882	0.6
181.08588	1.0
183.06474	0.8
185.04150	1.6
187.11256	0.9
189.75366	0.5
191.07022	0.9
201.12784	1.1
203.03287	1.2
203.14172	1.3
205.12260	0.7
229.04951	4.7
229.12169	1.3
245.04503	1.8
247.13043	94.4
248.13402	4.8
257.04431	21.6
258.04892	1.7
271.05911	0.8
279.83249	0.6
287.05411	1.9
391.17194	1.0
409.09180	9.1
409.18271	100.0
410.09470	1.2
410.18533	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2219
Annotation	Trichodermatide A
Peak:m/z	Relative Intensity
50.65528	3.3
53.03936	6.2
55.01876	6.4
55.05513	21.5
57.07075	100.0
57.07671	3.1
59.05002	6.7
62.38395	3.0
64.14497	2.9
65.38335	3.0
65.48418	3.3
67.05208	4.2
67.05513	38.4
68.99806	3.7
69.03421	5.0
69.04220	4.1
69.07071	25.1
71.01359	3.9
71.04995	33.2
71.08625	8.2
71.30966	5.5
78.89931	2.8
79.05489	34.8
81.07056	63.4
83.01337	5.6
83.04993	9.8
83.08617	13.3
85.06541	65.6
85.10172	5.3
91.05474	25.2
93.07044	41.9
95.04968	8.1
95.08610	85.4
97.06532	7.0
97.10136	7.7
99.00963	3.1
99.08125	7.2
103.05494	4.3
105.07032	58.0
107.04995	3.8
107.08595	48.9
109.06516	19.6
109.10149	54.5
111.08081	4.0
113.05993	3.6
113.09631	12.4
115.05472	3.7
117.07013	10.7
119.04907	4.2
119.06101	3.4
119.08580	48.7
121.06505	14.7
121.10143	38.3
123.04453	4.7
123.08067	8.3
123.11726	18.8
127.07560	9.0
128.06227	9.6
129.07021	13.6
131.08574	34.6
133.06479	22.9
133.10120	44.8
135.08073	21.0
135.11649	31.1
137.06000	3.6
137.13266	9.8
141.07028	4.7
143.08557	12.3
145.06493	8.0
145.10129	30.2
147.08018	18.8
147.11671	24.9
149.05975	4.4
149.09615	9.7
149.13255	15.1
151.07532	3.5
151.11169	22.2
153.05522	9.4
155.03380	4.4
155.07195	4.4
155.08588	10.4
156.09460	4.0
157.06502	10.0
157.10136	12.9
159.08031	19.3
159.11705	18.5
161.05969	18.5
161.09627	5.2
161.13263	18.3
163.03929	3.9
163.07518	6.0
163.11145	8.1
163.14844	8.3
165.05548	3.9
165.06947	4.1
167.07036	6.4
168.09392	4.0
169.04970	24.2
169.06247	4.0
169.10123	4.4
171.08025	4.6
171.11682	7.9
172.12244	3.8
173.06015	3.7
173.09595	8.5
173.13277	20.1
175.07516	20.3
175.11115	5.7
175.14861	12.7
177.05513	7.8
177.09160	6.7
177.16376	6.2
179.06998	9.3
181.04987	11.4
181.08533	5.1
183.02884	32.9
183.11670	10.5
185.04445	23.4
185.06029	16.3
185.13264	6.0
187.07451	5.3
187.11053	3.3
187.14835	19.9
189.05466	4.9
189.09158	3.9
189.12863	3.7
189.16402	11.1
191.07042	14.3
191.17944	14.6
193.15862	6.1
197.09564	4.2
197.13300	5.8
199.07639	5.7
199.14807	6.5
201.09071	8.4
201.12743	18.3
201.16380	21.2
203.07042	40.1
203.14349	12.5
203.17978	10.9
205.08632	12.4
205.15973	4.2
205.19591	4.4
211.07611	7.5
211.09515	5.4
211.11348	5.8
213.05515	3.8
213.12724	3.6
213.16397	7.0
215.07036	8.4
217.19574	10.1
219.10158	11.4
219.13731	8.1
221.08102	17.4
221.15460	4.2
223.11305	7.9
225.12813	4.2
225.90794	4.1
227.06958	5.6
227.08983	3.8
227.17938	4.8
229.08707	6.9
229.12177	19.3
239.09090	26.3
241.08267	4.1
241.10648	77.4
242.10971	3.9
243.13773	15.0
247.13283	30.6
251.10471	3.9
253.12251	10.1
254.09302	6.1
255.20824	4.2
259.13388	5.4
261.14743	7.9
269.11755	27.0
271.13266	35.7
275.12744	12.0
275.16180	3.6
285.14890	13.0
287.12747	64.6
289.14313	67.6
290.14825	8.3
290.39505	3.6
293.13998	7.7
299.12778	5.8
303.15900	9.9
307.15359	30.1
309.18759	4.2
319.16766	5.4
321.16879	4.0
327.15912	16.4
327.19550	27.9
329.20984	4.8
337.17917	11.6
345.20551	10.5
355.18985	55.0
373.20099	43.6
374.20602	5.5
391.21310	11.0
391.33667	12.9
409.23514	7.1
409.35019	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	409.222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	9.4
55.05502	38.8
57.07076	63.6
67.05499	76.4
69.03423	7.1
69.07061	47.9
71.04987	17.5
71.08614	10.0
79.05489	35.3
81.07053	87.7
83.04973	11.6
83.08623	17.8
85.06535	18.6
89.06015	40.6
91.05482	33.6
93.07050	47.3
95.08602	100.0
96.41819	7.3
96.52025	6.5
97.06524	9.0
97.10153	15.7
99.08150	7.2
105.07036	56.1
107.08587	55.7
109.06528	19.9
109.10164	64.5
111.08065	7.7
111.11814	8.0
114.77602	6.4
119.08573	63.6
119.56673	6.8
121.06512	12.5
121.10163	44.6
123.08069	11.9
123.11681	15.9
129.06982	13.4
131.08507	16.4
133.06470	12.1
133.08621	9.8
133.10129	43.9
135.08064	12.2
135.11691	18.5
144.12497	6.7
145.10129	25.8
147.08066	9.8
147.11685	21.0
149.09636	10.2
149.13251	20.5
151.11180	12.8
153.05505	9.1
153.66724	8.5
155.08496	8.2
157.10107	13.0
159.11714	17.6
161.05939	11.9
161.13240	18.0
163.11119	7.5
163.14861	12.5
167.07089	6.9
169.04919	13.5
171.11665	9.2
173.09668	7.7
173.11867	10.5
173.13292	22.3
175.07559	8.5
175.14801	16.2
177.16426	12.5
181.05022	10.0
183.02936	12.9
185.04462	15.7
185.05945	7.0
185.13278	10.9
187.14836	21.3
189.16389	22.7
195.12277	26.7
196.12642	8.5
199.14828	10.7
201.12735	12.8
201.16412	10.0
203.06984	21.8
203.14394	15.1
203.17860	12.2
215.14526	8.0
215.17972	8.3
221.08018	10.9
227.10622	8.6
229.12193	9.7
239.09052	10.3
239.17885	6.8
241.10614	38.7
241.19475	9.4
243.13818	7.4
247.13245	19.2
269.11694	18.1
271.13129	15.3
285.14929	9.1
287.12708	31.1
289.14243	42.1
307.15256	16.0
327.15915	11.1
327.19678	11.6
337.17966	10.7
355.18997	16.5
373.19998	21.0
391.20963	8.0
409.14041	16.5
409.29880	42.1
409.34796	34.8
410.14877	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	36.5
57.07080	93.8
63.02414	8.0
63.82520	7.2
66.61498	8.3
67.05492	64.2
68.99910	85.0
69.03420	14.2
69.07063	57.4
70.56040	7.1
71.04995	28.5
71.08638	8.6
73.06555	7.5
76.15453	7.9
79.05488	30.9
81.07057	84.0
83.08615	22.4
85.06544	41.4
89.06031	41.8
91.05470	35.0
93.07044	58.3
95.04978	11.6
95.08617	100.0
97.06516	12.3
97.10179	16.9
98.23323	17.7
99.08101	12.4
104.38638	6.7
105.07032	52.6
107.08585	60.7
109.06518	12.5
109.10168	72.9
113.09634	7.8
117.06992	11.4
119.08581	50.8
121.06509	15.7
121.10145	51.3
123.08079	15.7
123.11706	10.7
129.07085	8.7
131.08501	15.8
133.06473	15.1
133.08571	9.8
133.10121	36.9
135.08055	12.3
135.11700	32.1
141.06966	7.4
142.07722	8.5
143.08490	11.9
145.10115	22.7
147.11694	27.8
149.09546	10.5
149.13145	17.8
151.11176	16.2
157.10158	10.3
159.08022	13.4
159.11676	18.8
161.06003	14.0
161.13239	22.3
163.14882	20.0
165.16347	9.8
169.04942	18.6
170.07854	7.7
171.11618	10.6
173.13264	16.1
175.07526	15.7
175.14854	11.0
177.11229	10.3
181.04991	11.5
183.02893	21.6
185.04395	21.8
185.13354	11.0
187.14882	16.8
189.12720	11.1
189.16400	20.0
191.14314	9.2
191.33286	7.9
195.12259	29.5
196.12491	7.8
201.12709	12.7
201.16353	13.6
203.07037	26.2
203.14426	11.6
203.17903	13.5
215.18071	9.8
219.13820	11.8
221.07912	7.4
229.12286	15.5
239.06734	7.7
239.09183	23.6
241.10652	51.5
243.13889	10.5
245.11613	8.6
247.13286	20.0
269.11655	7.5
271.13248	19.7
275.12720	9.7
285.14706	13.4
287.12805	43.7
289.14252	48.3
303.15915	16.3
307.15546	18.8
327.15982	16.3
327.19537	27.3
355.18988	32.9
373.20007	24.2
373.30502	8.6
391.21439	9.6
409.29916	47.3
409.34647	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	409.256
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89983	0.3
55.05503	1.1
56.63019	0.3
65.69537	0.4
67.05499	1.3
69.07056	1.5
71.05022	0.4
72.65604	0.3
78.07468	0.3
79.05486	1.0
79.91694	0.3
81.07046	2.5
83.08607	1.2
85.06534	0.5
91.05474	1.5
93.07040	2.5
95.08611	3.7
97.10175	0.5
105.07034	2.5
105.21622	0.4
107.08583	2.8
109.10162	2.0
111.08082	0.4
117.07061	0.6
119.08595	3.0
121.10130	2.5
123.08090	0.5
123.11741	0.9
131.08566	1.4
133.10107	1.9
135.11713	1.3
139.11125	0.4
143.02808	0.3
143.08510	0.3
145.10124	1.6
147.11662	1.3
149.13304	1.0
157.10121	1.1
159.11687	1.2
161.13261	0.9
163.14818	0.7
171.11671	0.8
173.13266	1.1
175.14780	1.1
177.12573	0.3
177.16403	0.5
183.11684	0.8
187.14783	2.0
189.16389	1.2
201.16423	1.4
203.18005	1.1
213.16379	0.6
215.18016	0.5
217.15994	0.4
225.16444	0.4
230.84164	0.5
231.49072	0.3
257.04459	1.9
357.65408	0.4
391.29538	0.4
391.33749	0.7
409.25592	100.0
410.25912	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	409.31
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	24.4
57.07072	21.4
58.39437	4.2
67.05508	23.3
69.07067	100.0
69.33346	35.5
70.58124	7.2
71.05013	6.3
79.05492	14.6
81.07056	52.0
83.08622	33.4
91.05481	11.1
93.07050	17.2
95.08611	48.9
97.10164	6.2
105.07039	19.2
107.08607	20.5
109.10129	24.3
111.08088	9.0
119.08575	22.9
121.10152	27.5
123.11705	10.3
125.13271	19.0
131.08572	6.4
133.10126	13.4
135.11658	17.1
145.10182	9.1
145.27502	4.5
147.11658	7.9
149.09584	6.2
149.13295	10.1
157.10072	4.8
159.11726	7.8
161.13246	7.3
171.11678	8.7
173.13350	7.5
175.14845	4.9
177.16396	10.1
183.11720	5.8
189.16473	14.8
203.17973	9.7
218.50371	6.7
361.79199	5.8
404.48074	5.3
409.30374	18.9
409.35226	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	409.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90066	1.7
55.05510	12.7
57.07078	13.7
67.05493	12.7
69.07066	72.4
70.07395	2.5
71.08614	3.3
76.67208	1.7
79.05454	6.0
81.06645	1.8
81.07052	20.0
83.04949	4.2
83.08620	18.5
89.93567	2.0
91.05437	6.7
93.07014	12.6
95.04873	2.0
95.08608	27.8
97.06516	11.8
97.10133	3.0
105.07015	11.7
107.08589	12.8
109.06506	3.0
109.10154	14.4
119.08558	12.1
121.06450	2.7
121.10130	13.4
123.07964	3.0
123.11716	3.4
131.08470	5.5
133.10126	10.7
135.11609	4.9
143.08452	5.1
145.10074	4.3
147.11569	6.7
149.09489	1.8
149.13170	5.9
155.08441	4.1
157.10027	7.3
159.11559	7.1
161.13176	5.1
163.14760	3.6
167.08539	2.2
169.09972	4.7
171.11574	7.5
173.09549	2.5
173.13219	3.6
175.11147	2.0
175.14764	3.9
177.16249	4.7
179.08461	3.0
181.10019	5.2
183.11580	4.8
184.12189	2.2
185.13152	4.7
187.14709	3.3
189.12607	1.9
189.16402	9.3
189.17764	1.9
195.11464	2.7
197.13138	4.9
199.11150	2.0
201.12727	10.4
205.09938	2.5
209.13121	4.0
211.11221	2.2
211.14790	2.4
213.12712	5.1
223.14716	4.4
227.14166	7.8
227.17599	2.3
228.15005	8.8
228.92406	2.0
229.15489	2.0
239.14111	1.9
241.15858	2.3
251.14110	6.5
257.04260	4.7
267.17441	10.2
269.15121	5.8
283.16791	3.6
284.17709	30.7
285.18140	8.7
285.21332	2.7
296.33203	2.0
365.27975	4.0
391.29233	2.5
391.33752	3.1
406.75580	2.0
409.30493	100.0
409.34036	11.1
410.31030	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	409.3101
Annotation	Gymnasterone C
Peak:m/z	Relative Intensity
53.03932	1.2
55.01841	1.4
55.05248	1.4
55.05507	16.0
55.86198	1.0
56.09150	1.3
57.07082	7.3
57.30553	1.1
61.07191	1.0
65.03925	1.1
67.05502	10.0
69.07067	38.1
71.04971	1.2
71.08620	2.9
79.05493	5.9
81.01906	1.2
81.07057	15.6
83.04985	5.7
83.08620	24.1
84.47715	1.2
89.06010	2.5
91.05455	5.1
93.07051	10.0
95.08112	1.5
95.08614	17.3
97.06521	10.4
97.10173	2.3
97.33832	1.1
98.23408	2.4
105.07030	13.5
107.04916	1.8
107.08593	14.6
108.48513	1.3
109.06504	4.3
109.10163	8.9
111.11698	1.3
117.07005	2.1
119.08562	10.0
120.08864	1.2
121.06525	5.7
121.10130	8.1
123.08062	9.1
123.11694	3.6
125.09593	1.0
129.06984	2.4
131.08586	6.6
133.06383	1.5
133.10121	7.0
135.08054	1.8
135.11693	5.8
137.09625	2.1
137.13174	1.4
139.11092	1.1
141.06989	1.3
142.07724	1.8
143.08588	8.9
145.10161	7.9
147.08015	2.8
147.11699	6.4
149.09598	1.4
149.13223	2.9
155.08492	3.2
156.09306	1.8
157.10162	8.7
159.11714	7.0
161.09605	5.4
161.13251	6.9
163.11101	1.5
163.14774	3.8
168.09344	1.0
169.10088	5.0
171.08086	1.4
171.11674	11.1
173.09642	6.6
173.13240	6.3
175.14810	2.9
177.12811	1.4
177.16385	1.7
179.14262	3.7
181.10153	2.0
183.11626	4.0
185.09587	1.3
185.13249	4.2
187.11162	1.7
187.14783	3.5
189.12706	3.1
189.16464	2.5
195.11853	3.3
196.12413	1.6
197.13251	2.0
199.11078	1.6
199.14720	1.6
201.12767	10.0
201.16402	2.2
201.48129	1.2
203.17947	1.1
207.11734	2.6
209.13297	2.4
211.14803	3.0
213.12808	2.2
213.16306	1.8
214.13470	6.5
215.14249	3.5
215.17992	1.3
216.15083	1.4
223.14771	1.3
225.12695	3.0
227.14262	2.7
229.15874	23.0
230.12955	1.5
230.16295	1.8
231.17360	3.8
235.14743	1.1
239.14328	1.4
241.15749	1.7
251.14172	4.6
257.04361	2.2
265.15942	2.4
266.16620	5.1
267.17365	3.9
283.16882	2.2
284.17526	1.5
285.18411	2.2
339.23032	1.7
351.27200	1.3
391.29819	6.7
391.34015	1.4
392.34799	1.2
409.30823	100.0
410.31210	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	409.31
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97823	1.7
55.01900	1.9
55.05503	16.7
56.70159	1.8
57.07072	15.7
67.05505	19.0
69.07064	94.7
69.13545	13.8
69.13963	3.6
70.07399	2.6
71.04980	10.6
71.08617	4.1
79.05482	9.3
81.07052	35.1
83.08610	31.8
91.05479	8.1
92.53008	1.9
93.07041	15.0
95.08598	28.4
97.06522	5.5
97.10175	9.7
105.07037	19.9
107.08593	17.0
109.02879	2.2
109.10130	18.2
111.08087	4.5
111.11762	3.0
117.07018	4.6
119.08575	10.7
121.10125	15.2
123.08034	2.2
123.11698	6.9
125.13235	9.4
127.03899	11.5
128.06192	3.6
131.08545	10.8
133.10162	9.5
135.08015	1.7
135.11646	13.8
137.13229	3.5
141.06934	3.3
143.08546	6.0
145.10130	16.3
147.11668	7.7
149.13266	6.3
151.03523	1.9
154.07784	3.3
155.08543	5.3
157.10143	4.2
158.07289	14.6
159.11699	4.6
161.13228	6.3
163.14807	4.9
169.10170	2.2
171.08035	36.4
172.08492	2.1
173.09612	100.0
174.09958	5.3
175.14793	2.5
177.16360	3.5
181.10106	2.6
183.11688	4.1
185.09558	3.5
187.11180	14.1
187.14783	4.6
189.16342	4.2
191.17926	2.8
193.08147	1.9
197.09622	2.9
197.13354	2.6
199.11234	3.9
201.16351	2.9
203.17911	3.2
209.13350	2.4
211.11197	3.0
213.12781	4.3
213.16310	2.1
215.18047	2.5
225.12799	4.7
227.14432	1.8
239.14282	2.4
249.22168	5.0
251.14262	3.1
265.15768	13.1
266.16449	5.6
267.17413	7.1
268.17691	1.9
321.21890	2.0
360.59467	1.9
391.29630	2.0
391.35757	3.5
409.30191	5.8
409.35370	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	409.31
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.0
55.05510	34.8
57.07077	10.8
61.58018	1.2
65.93635	1.1
67.05497	22.4
69.07066	29.9
70.65199	1.2
71.08630	6.5
77.03913	1.5
79.05493	21.9
81.07055	51.8
82.06564	1.7
83.04974	1.9
83.08619	67.8
84.08927	1.5
85.06502	1.7
85.10169	4.0
89.06023	13.8
91.05482	22.6
92.05795	1.3
93.07042	44.7
94.07384	1.4
95.04969	3.9
95.08603	67.8
96.08914	3.0
97.06535	2.4
97.10162	6.6
103.05457	2.0
105.07026	46.8
106.07343	3.4
107.08591	68.2
108.08913	2.6
109.06505	7.1
109.10158	40.4
110.10493	2.0
111.08051	1.5
111.11708	1.3
117.07005	8.7
119.08579	100.0
120.08940	5.1
121.10140	54.9
122.10483	1.9
123.08065	5.3
123.11690	13.6
125.06052	1.8
125.09604	2.3
127.07536	6.1
128.06203	2.1
129.07002	5.6
130.07808	2.9
131.08574	26.4
133.08655	7.1
133.10115	53.1
135.08081	2.9
135.11682	29.1
137.09579	1.6
137.13266	6.7
138.09138	2.2
139.07507	1.9
139.11159	2.5
141.06976	1.5
142.07718	1.6
143.08557	12.8
144.09294	1.6
145.10117	45.1
146.10612	1.9
147.08240	1.5
147.10568	2.1
147.11673	33.3
149.09616	2.7
149.12103	1.8
149.13260	20.6
151.07573	3.2
151.11157	1.4
151.14787	2.2
153.09111	4.2
155.08571	3.8
156.09258	1.3
157.10097	14.9
158.10820	3.1
159.11699	29.0
161.09550	1.7
161.13248	22.5
163.07526	3.3
163.11182	2.8
163.14807	27.7
165.06955	1.4
165.12711	1.4
169.10078	5.9
170.10934	2.8
171.11668	9.6
172.12433	1.8
173.13252	21.0
174.13614	2.3
175.11230	1.4
175.14819	51.7
175.16365	2.4
176.15189	3.8
177.11237	1.5
177.12880	1.5
177.16377	32.6
178.16833	1.7
179.14337	3.0
181.10100	2.1
181.15930	1.6
183.11676	7.3
184.12317	1.3
185.13246	14.9
187.14806	40.4
188.15204	5.3
189.16399	37.6
190.16699	2.8
191.17981	5.7
195.11679	3.8
197.13242	9.6
199.14769	15.2
200.15318	2.2
201.12703	1.4
201.16382	32.0
202.16785	2.4
203.17979	15.8
205.15904	3.7
205.19859	1.4
209.13237	4.2
210.13945	1.4
211.14803	5.7
212.15346	1.8
213.16360	12.8
214.16841	1.6
215.14290	3.9
215.17937	11.4
217.12279	1.5
217.15947	1.6
217.19524	5.4
219.13919	2.7
219.17461	2.5
221.15349	1.3
223.14790	3.1
223.16914	2.0
225.16402	3.7
227.17909	8.1
228.18513	2.1
229.19432	3.7
231.13683	2.1
231.17479	1.7
231.21082	2.7
233.15381	4.1
237.16408	2.8
239.14877	5.1
239.17975	4.4
241.19516	7.3
243.13960	1.7
243.21086	3.0
245.15393	3.9
247.16959	3.4
251.17909	2.4
253.19499	3.5
255.21042	5.5
256.21796	1.8
257.04401	3.5
257.22635	2.3
265.19302	2.1
267.21161	3.4
273.18729	2.1
279.21072	2.8
281.22632	3.5
285.18460	3.1
285.22092	2.0
287.19907	1.6
293.22629	2.5
297.18576	1.6
299.20129	1.5
307.24188	4.4
309.25873	1.5
313.21710	1.7
321.25534	2.7
325.21530	3.6
327.23083	5.4
339.23276	3.7
351.30408	1.4
353.24741	4.2
363.30432	17.3
364.30746	2.5
365.32074	1.5
391.33585	5.1
409.08994	1.3
409.30811	47.3
409.34793	35.7
410.31262	5.7
410.35269	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	409.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.0
55.05259	2.2
55.05517	30.8
57.07073	6.6
59.05036	1.6
65.03939	2.8
67.05163	2.4
67.05508	34.8
69.04353	17.6
69.07074	38.9
71.08640	3.8
79.05499	25.6
81.07062	74.1
82.07404	1.8
82.85403	1.8
83.04991	2.5
83.08624	63.2
85.06557	3.1
91.05479	24.9
93.07047	48.9
94.07381	2.7
95.04979	4.4
95.08611	92.6
96.08936	2.8
97.06540	4.6
97.10165	8.5
103.05447	1.9
105.06425	1.3
105.07036	56.9
107.08598	80.1
108.08932	3.5
109.06518	7.5
109.10163	54.0
111.08064	4.1
117.07039	10.1
119.08586	100.0
120.08887	2.8
121.10152	65.4
122.10500	2.9
123.08105	4.5
123.11708	23.2
125.09587	2.0
127.07567	5.6
127.47128	1.6
128.06125	1.7
129.06998	5.1
130.56593	1.6
131.08577	32.4
132.08963	2.6
133.09177	3.7
133.10135	56.6
135.08026	3.6
135.11705	33.9
137.09624	4.3
137.13266	7.9
139.11218	4.1
142.07797	3.2
143.08565	13.2
144.09337	3.1
145.10149	50.7
146.10495	2.0
147.11694	36.6
149.09602	2.4
149.13255	23.7
151.07527	3.1
151.11172	2.6
151.14809	2.8
153.09128	5.5
153.12700	3.4
155.08571	3.7
157.10147	19.0
158.10912	3.2
159.08047	1.9
159.11705	43.4
161.13287	25.8
163.07568	5.9
163.11159	4.8
163.14825	28.8
165.09137	2.5
165.12761	8.4
167.90767	1.7
169.10135	7.4
171.11664	15.9
172.12466	4.1
173.13264	30.5
175.11298	2.8
175.14833	51.0
176.15205	3.6
177.16406	31.1
179.14313	4.3
181.15886	9.9
182.10880	4.1
183.11646	8.7
185.13257	17.3
187.11301	1.9
187.14835	53.2
188.15285	2.4
189.16397	38.5
190.16847	2.3
191.14310	1.8
191.17931	8.3
195.11763	3.2
197.13304	9.9
199.14853	18.2
200.15285	2.5
201.16405	42.0
202.16776	4.6
203.17953	25.1
205.12216	2.3
205.15895	7.4
205.19547	2.0
209.13322	1.7
211.14876	7.1
213.16360	15.5
214.17174	4.8
215.14293	2.4
215.17914	13.2
217.19499	7.2
219.13780	3.0
219.17360	3.6
221.15410	3.8
223.14908	2.2
223.17000	3.4
225.16370	6.6
227.17940	12.4
228.18680	2.8
229.19548	7.4
231.17319	2.8
231.21031	2.2
233.15446	2.2
237.16447	2.2
238.16785	1.9
239.17979	6.7
241.19504	8.7
243.20964	2.9
244.92822	2.0
245.15358	3.2
245.19106	2.9
247.16884	3.0
251.17850	2.3
253.19551	6.8
254.20171	1.6
255.21005	4.8
257.22641	4.4
265.19531	2.5
267.21075	6.8
269.22836	2.2
271.24210	1.8
279.21295	1.8
281.22723	5.4
283.24179	3.1
285.18454	3.2
293.22809	2.4
295.24194	3.0
307.24167	4.1
321.25668	3.0
327.23245	5.2
335.27795	1.8
339.23297	2.6
353.24570	3.2
363.30475	12.6
381.21671	1.9
390.29169	1.7
391.33554	16.3
409.30676	25.6
409.34644	88.6
410.35529	9.5
427.55362	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.1
55.05510	15.6
56.05851	1.3
57.07076	4.2
62.77243	1.2
65.03934	1.0
67.05495	25.1
67.83109	1.0
69.07063	23.7
70.41388	2.9
71.08659	1.5
77.03915	1.1
77.57487	1.1
79.05497	21.5
81.07052	51.0
82.07385	1.6
83.06120	1.6
83.08614	14.5
84.04510	5.2
84.09005	1.1
85.06537	1.1
91.05474	24.0
93.07037	37.5
94.07378	2.6
95.04948	1.5
95.08601	85.5
96.08952	3.6
97.06537	2.4
97.10181	4.2
103.05474	1.5
105.04579	1.2
105.07025	55.0
106.07391	1.8
107.08588	60.6
108.08939	1.7
109.06537	2.1
109.10155	36.6
111.08093	3.1
111.11691	1.1
117.07020	6.7
119.08573	63.4
120.08952	4.5
121.06508	1.3
121.09267	2.1
121.10140	43.6
122.10465	1.8
123.08046	2.3
123.11713	12.1
124.12049	1.3
125.09650	2.2
128.06242	1.3
129.06996	1.6
130.04997	6.2
131.08571	13.8
132.08905	1.2
133.10123	44.8
134.10492	2.0
135.08076	1.5
135.11685	20.6
136.12061	1.1
137.13274	4.2
139.11130	1.3
143.08543	5.1
144.09317	1.6
145.10115	23.7
146.10588	1.2
147.07674	1.1
147.11674	37.5
148.12091	1.9
149.09680	1.7
149.13249	25.1
151.11246	1.4
151.14767	2.3
155.08531	2.0
157.10132	7.6
157.72475	1.0
159.11685	18.1
160.12346	1.5
161.13254	24.1
161.14497	1.7
162.13657	2.0
163.11215	2.8
163.14810	18.6
164.15193	1.6
169.10152	2.4
171.11667	5.9
173.13251	17.3
175.14824	22.6
177.12688	1.3
177.16377	20.1
183.11807	1.9
185.13286	5.9
186.13870	1.4
187.14828	20.0
189.16371	47.9
190.16733	2.5
191.17924	9.2
197.13271	2.3
199.14856	5.7
201.12776	1.6
201.16405	13.9
202.16830	1.5
203.17957	28.3
204.18358	1.8
205.15869	4.8
205.19568	3.4
209.13251	1.1
211.14771	1.6
213.16360	6.3
215.17914	6.1
217.15878	1.6
217.19550	4.5
219.17519	2.5
225.16415	1.2
227.18085	3.2
229.19531	2.3
231.17538	2.7
231.21074	1.5
233.18993	1.8
237.16370	1.0
239.18001	1.3
241.19649	3.8
243.21156	1.5
245.22690	1.2
251.17984	1.2
253.19467	1.8
255.21114	2.0
257.04477	1.5
257.22659	2.3
259.20599	2.8
259.24265	1.7
267.21204	1.7
269.22672	1.3
271.20459	1.4
271.24368	1.8
279.21112	1.2
281.22604	1.6
285.22272	1.6
327.23254	1.3
351.30441	7.3
363.30484	2.2
391.33670	4.7
409.34763	100.0
410.30499	1.6
410.35205	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	409.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32359	1.1
53.03939	2.1
55.01880	1.4
55.05511	22.2
57.03435	1.9
57.07079	21.2
60.84497	1.2
65.03950	2.5
65.11559	1.1
65.99019	1.2
67.05507	47.8
69.07070	33.1
69.23106	8.7
71.05010	2.4
71.08610	2.9
73.19187	1.2
79.05494	26.7
81.07058	80.0
82.07430	1.3
83.04987	4.3
83.08623	24.8
85.06544	15.5
91.05477	18.6
93.07046	43.4
94.07373	2.2
95.04986	3.3
95.08607	95.8
96.08944	3.5
97.06549	3.7
97.10151	10.0
98.23462	1.3
99.08117	3.4
103.05471	1.9
104.07106	9.7
105.04575	1.4
105.07033	37.0
106.07355	1.8
107.08598	54.8
108.08980	1.4
109.06555	4.7
109.10158	40.6
110.10555	1.8
111.08099	3.9
111.11694	3.1
113.09652	3.3
117.07045	5.2
119.08585	45.9
119.09423	2.8
120.08924	1.8
121.10145	51.0
122.10521	1.7
123.08083	2.0
123.11716	21.5
123.12534	2.2
125.09649	3.4
125.13297	1.8
131.08560	18.0
133.10135	34.6
133.11145	1.7
135.08078	4.1
135.11693	26.8
137.09660	2.4
137.13268	11.2
138.41733	1.3
139.11203	4.1
141.12755	2.0
143.08589	6.3
145.10124	21.5
146.10539	1.6
147.11679	27.0
148.12032	1.5
149.09698	2.2
149.13257	31.9
149.14447	1.8
151.11195	3.2
151.14816	2.3
153.09111	1.3
155.08588	2.2
155.14337	3.9
157.10121	7.3
159.11688	16.6
159.12775	1.4
160.12279	1.4
161.09686	1.5
161.13266	16.4
163.11176	6.1
163.14825	33.4
164.15205	1.4
165.12794	3.5
166.83830	1.4
169.10117	1.9
171.11748	5.6
172.12579	1.9
173.13260	13.0
175.11261	3.4
175.14804	20.2
175.16139	1.7
177.12822	2.6
177.16382	25.2
181.15887	1.3
183.11761	2.6
185.13193	6.5
187.13220	2.7
187.14816	23.2
189.16383	34.9
190.13652	1.5
190.16818	1.5
191.14365	1.9
191.17944	12.4
197.13300	3.0
199.14912	5.2
201.16403	13.6
203.14383	3.4
203.17964	40.9
203.19872	2.2
204.18326	3.0
205.15871	15.3
205.19557	3.3
207.17595	3.3
211.14873	3.1
213.16315	7.7
215.17966	13.1
216.18579	1.5
217.16010	2.4
217.19545	6.4
219.17525	5.4
225.16444	5.2
227.18079	5.3
229.19594	6.0
231.17497	5.4
231.21207	2.8
233.18964	5.8
237.16449	1.6
239.17978	1.7
241.19514	4.5
243.21184	5.6
251.20157	5.5
253.19572	3.1
255.21068	8.1
257.22690	3.5
259.20599	2.5
261.22214	2.0
261.25879	12.5
267.21027	2.1
269.22839	3.6
279.23499	2.6
279.26935	13.2
281.22763	1.9
285.22183	9.4
286.22626	1.4
289.25378	4.5
307.26624	2.3
313.25281	2.7
335.27524	2.3
353.28833	1.8
363.30707	2.9
391.29099	2.2
391.33664	20.8
392.33908	2.0
409.30646	8.0
409.34818	100.0
410.34875	11.1
420.98749	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.4
53.94819	1.3
55.05509	9.0
57.07070	3.7
60.50323	1.4
67.05495	12.8
69.07063	11.1
69.28539	5.5
69.28947	4.2
71.05007	1.5
79.05475	12.1
81.07047	26.8
82.41197	1.3
83.04978	1.5
83.08619	3.9
83.88737	1.4
86.95937	1.2
91.05470	28.0
93.07037	23.0
95.08598	40.9
97.10172	2.4
98.22555	2.3
105.07025	36.5
107.08591	31.5
109.06464	1.5
109.10162	21.6
117.07038	3.7
119.08572	40.8
120.08871	1.6
121.10136	26.4
123.08113	1.9
123.11707	7.9
125.09674	1.8
127.11119	1.6
131.08553	6.6
133.10124	43.7
134.10469	1.6
135.08046	4.9
135.11688	16.7
137.13310	3.2
139.11159	1.5
143.08591	2.4
144.09407	1.5
145.10104	11.7
147.11678	30.4
148.12131	1.6
149.09610	1.7
149.13264	9.9
155.98146	1.5
157.10094	2.1
159.11626	7.7
161.13232	12.6
163.11162	3.3
163.14836	9.0
165.12816	1.5
171.11708	3.0
173.13295	5.2
175.11253	1.8
175.14783	8.4
176.51234	1.3
177.12752	2.7
177.16411	14.0
185.13200	4.1
187.14786	12.8
189.16377	100.0
190.16745	5.6
191.17964	6.6
199.14726	2.2
201.16399	5.7
203.14372	3.0
203.17938	27.8
205.15851	4.1
213.16386	1.6
215.17940	4.6
216.47905	1.4
217.19504	3.0
219.17499	3.8
227.17981	1.6
229.19467	2.8
231.21037	1.8
241.19453	1.4
245.18994	4.0
259.20612	1.6
265.17859	1.3
271.24020	2.3
295.24347	1.8
391.33618	4.3
409.34641	55.3
410.35022	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	409.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.6
55.05504	8.9
57.07067	3.4
62.43294	1.1
65.03934	1.4
66.68597	1.1
67.05499	14.8
69.07066	14.0
70.04462	1.1
71.04997	1.3
79.05489	9.4
81.07056	31.7
83.08614	9.0
83.15266	1.1
83.37967	1.1
89.06040	1.6
91.05473	12.2
93.07044	24.6
93.07603	1.9
95.04996	1.3
95.08604	65.6
96.08915	2.5
97.06538	2.5
97.10184	4.7
99.04450	1.4
101.08674	1.0
104.24062	1.3
104.42602	1.0
105.07020	27.6
107.08590	37.6
109.06499	1.4
109.10155	23.3
110.10464	2.0
111.08081	2.5
117.07076	2.4
119.08583	39.6
121.10143	30.6
123.08079	2.3
123.11698	12.3
125.09650	1.4
129.07037	1.2
131.08566	7.5
133.10130	33.5
135.11690	15.0
137.09605	1.7
137.13271	4.5
139.11197	1.6
143.08554	2.1
145.10112	9.7
147.11679	25.2
147.12856	1.3
149.09575	2.3
149.13275	10.1
151.11180	2.5
157.10187	3.3
159.11690	8.1
160.12260	1.1
161.13235	15.7
163.11192	3.3
163.14804	7.5
165.12750	1.5
171.11668	2.4
173.13240	6.4
175.14847	11.4
177.12752	2.0
177.16409	9.0
185.13326	2.3
187.14833	10.1
189.16383	46.7
190.16705	2.1
191.18019	4.9
197.13162	1.9
199.14902	2.5
201.16438	6.2
203.14568	1.4
203.17947	13.7
205.15950	2.2
213.16399	2.0
215.18018	2.5
217.19514	1.6
219.17554	3.4
228.79497	1.4
229.19601	2.4
230.97842	1.2
231.17487	1.5
245.19009	1.2
257.04626	1.8
257.22696	1.9
259.20688	2.5
271.20459	1.8
271.24255	1.9
285.22159	1.8
391.33719	3.1
409.34738	100.0
410.30524	1.5
410.35129	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	409.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.3
53.71471	2.3
55.01852	2.0
55.05507	11.2
57.07078	4.2
65.12733	1.6
65.59041	1.5
67.05502	25.8
69.07064	25.7
69.49672	9.6
71.05010	2.9
75.94125	1.9
79.05485	19.4
79.05863	1.6
81.07050	55.3
83.04993	3.2
83.08611	10.5
85.06545	2.0
91.05472	19.9
93.07043	43.5
93.07591	3.2
94.07387	2.3
95.04983	4.2
95.08601	58.0
97.06546	4.4
97.10188	5.8
105.07025	40.0
106.07346	1.8
107.08588	58.5
108.08971	2.5
109.06554	4.5
109.10149	27.9
110.10511	2.6
110.41116	1.7
111.08099	4.6
111.11732	1.6
116.06998	1.6
117.06255	1.5
117.07047	5.7
119.08563	44.5
120.08940	1.9
120.20753	1.7
121.10133	45.4
121.10950	2.5
123.08098	3.1
123.11675	10.1
125.09654	3.2
129.07045	4.3
131.08574	18.4
131.09296	1.7
133.10120	32.7
133.10980	2.7
135.08092	3.9
135.11668	21.7
136.12045	2.5
137.09653	2.5
137.13260	9.8
139.11121	2.0
142.07852	2.9
143.08551	11.7
144.09366	1.7
145.10110	30.2
147.08018	2.2
147.11664	34.6
147.12694	2.2
149.09683	2.1
149.13249	47.0
149.14432	2.6
151.11336	1.9
156.09433	2.1
157.10089	10.8
158.10649	1.7
159.11676	20.1
160.12326	1.8
161.13245	14.4
163.11249	3.6
163.14804	53.8
164.15186	3.1
165.12724	2.5
168.48799	1.8
169.10175	4.3
171.11697	11.0
172.12201	1.8
173.13275	18.2
173.14525	1.8
175.14821	15.6
177.12906	2.5
177.16360	15.6
179.14333	2.5
183.11757	5.3
185.13266	12.2
187.14798	17.2
188.15324	1.9
189.12875	3.5
189.16373	16.3
190.16980	2.0
191.18108	4.3
196.12657	1.9
197.13275	3.3
199.14902	8.1
201.16380	12.8
203.14380	2.5
203.17935	20.6
203.19560	1.8
205.15979	4.4
209.13347	3.2
211.14914	5.7
213.16454	10.4
214.17073	2.1
215.17949	18.5
216.18385	2.8
217.15962	2.8
217.19604	5.6
219.17470	2.1
223.14931	2.2
225.16325	2.2
227.17896	9.1
228.18623	2.9
229.19443	10.5
231.21317	3.1
231.86044	2.5
239.18117	3.6
241.19414	12.3
242.20219	3.0
243.21164	7.3
253.19498	4.0
255.21051	20.0
255.23244	2.0
257.04370	10.4
257.22684	4.9
258.05206	3.1
259.20792	5.8
267.21259	5.1
269.22592	15.2
285.22180	19.6
295.24289	3.0
309.26138	2.0
311.26990	1.9
321.26282	1.8
391.29456	2.4
391.33701	14.1
409.09409	3.8
409.22018	9.5
409.26434	4.9
409.34842	100.0
410.35397	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	409.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69742	1.0
53.03950	3.1
55.05505	17.1
57.03442	1.4
57.07082	4.6
61.95198	1.1
65.03950	2.3
67.05505	29.3
67.05853	1.9
69.03409	1.1
69.07069	28.5
71.05013	2.0
71.33958	1.5
72.98054	1.2
73.32097	1.3
79.05491	26.7
80.05817	1.3
81.07054	65.6
83.05003	2.3
83.08620	13.2
85.06551	2.0
91.05473	22.8
93.07043	50.5
94.07366	2.0
95.04987	2.6
95.08605	100.0
96.08955	3.1
97.06544	3.0
97.10182	5.8
98.99083	1.2
99.08111	2.3
105.07025	56.0
106.07378	1.3
107.08590	67.1
108.08946	1.7
109.06533	5.1
109.10153	44.7
110.10550	3.3
111.08077	8.1
111.11738	2.0
117.07021	8.4
119.08578	54.7
120.08953	1.4
121.06534	2.3
121.10140	47.5
122.10490	2.8
123.08114	3.5
123.11714	17.7
124.12090	1.3
125.09645	2.4
128.06274	2.6
129.07028	4.3
130.07829	1.2
131.08562	18.2
131.09425	1.5
131.91805	1.1
132.08954	1.6
133.10121	38.5
135.08089	5.1
135.11684	33.4
136.12007	1.9
137.09663	3.1
137.13260	6.4
139.11211	1.8
142.07811	1.9
143.08560	9.1
144.09274	1.8
145.10132	34.5
146.10567	1.8
147.11694	29.7
147.12833	2.2
148.12085	1.9
149.09668	1.3
149.13251	36.6
150.13641	1.6
151.14850	1.5
155.08598	3.6
156.09377	1.8
157.10133	11.5
158.10892	2.2
159.07948	1.3
159.11694	23.4
159.12897	1.6
160.12064	2.7
161.09663	2.5
161.13252	22.7
162.13654	2.5
163.11205	3.3
163.14821	27.5
169.10158	2.3
170.10889	1.5
171.11673	8.9
172.12459	1.8
173.13264	18.6
174.13826	1.3
175.11301	3.1
175.14818	27.9
176.15150	1.6
177.12845	3.2
177.16385	25.0
178.16768	1.9
181.10135	1.4
183.11780	3.6
185.13271	8.3
187.14818	33.8
188.15234	1.7
189.12791	2.0
189.16374	29.2
189.17889	2.1
190.16801	2.5
191.14403	2.0
191.17931	9.5
193.15968	1.3
195.11861	2.3
197.13354	3.0
199.14806	8.8
201.16383	16.2
203.14455	3.2
203.17957	32.2
203.19803	2.3
204.18350	2.5
205.15894	10.1
205.19598	4.1
207.17470	3.1
209.13252	2.1
211.14886	2.3
213.16362	11.6
214.16870	1.8
215.17976	11.9
217.15979	3.6
217.19489	6.9
219.17517	4.2
223.14746	1.6
225.16460	3.3
227.17931	6.0
229.19501	5.4
231.17456	6.3
231.21083	2.1
233.19144	3.5
239.18091	2.3
241.19455	6.8
243.17601	1.4
243.21140	5.0
245.19104	2.2
251.17957	1.5
253.19571	3.9
255.21210	5.1
257.04449	6.7
258.04977	1.3
261.22119	1.7
267.21185	4.3
269.22794	2.9
271.20898	1.4
271.24255	1.4
279.20953	1.4
281.22794	1.6
285.22351	1.8
295.24048	1.4
313.25443	1.6
351.30640	3.9
391.33585	8.8
409.09222	2.7
409.30423	6.4
409.34827	63.1
410.35202	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	409.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21058	0.9
53.03927	0.9
55.05508	3.5
57.07053	1.1
67.05508	5.4
69.07069	8.8
69.41022	1.0
69.41347	5.9
71.04985	1.2
79.05492	7.2
81.07055	26.2
83.08608	4.0
84.66783	1.0
91.05482	5.4
93.07043	20.0
95.08607	27.4
97.06495	1.3
97.10152	1.3
98.23277	1.9
105.07039	12.8
107.08592	28.4
108.08966	0.9
109.10165	12.4
111.08083	1.9
117.07040	1.5
119.08575	17.6
121.10139	20.7
123.11671	4.9
129.07040	1.6
131.08556	5.5
133.10120	15.2
135.11684	12.6
137.13235	8.0
143.08539	3.4
145.10117	12.4
147.11678	18.2
148.90422	1.0
149.13258	36.4
150.13579	1.5
151.14803	1.4
153.12677	1.1
157.10094	5.0
159.11702	8.6
161.13243	7.2
163.14821	51.8
164.15207	1.6
171.11678	5.4
173.13243	6.3
175.14812	11.3
177.16385	10.8
179.14302	1.5
183.11702	1.2
185.13213	4.8
187.14816	10.3
189.16367	11.5
191.17926	0.9
193.16084	1.0
197.13272	1.4
199.14772	4.4
201.16348	7.3
203.17972	14.8
204.18303	1.3
207.17633	1.0
211.14902	1.7
213.16359	6.3
215.17957	17.0
216.18449	1.4
217.19533	1.7
225.16298	1.2
226.17154	1.8
227.17963	8.1
228.18620	1.5
229.19498	11.0
230.20056	1.3
231.21085	2.1
239.18021	1.2
241.19493	12.2
242.20116	1.6
243.21088	9.1
253.19530	2.5
255.21083	24.7
256.21317	1.8
257.22708	4.1
259.20587	4.7
261.22305	0.9
267.21167	3.0
269.22681	13.6
269.25412	1.5
270.22980	2.0
283.24203	1.1
285.22107	18.8
286.22580	1.4
295.24213	3.2
359.17963	1.0
391.33664	11.8
392.33987	1.7
409.34644	100.0
410.35004	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	409.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	26.9
57.07072	15.1
66.02711	5.2
67.05495	31.2
69.07069	36.8
69.23644	32.4
69.24057	7.9
71.08630	7.6
79.05488	20.4
81.07065	66.1
83.08620	30.2
91.05475	12.2
93.07033	44.4
95.08604	94.5
95.09209	6.8
97.06562	8.5
97.10168	11.1
98.22585	11.9
105.07031	40.0
107.08598	53.8
109.06572	7.0
109.10146	53.6
117.06973	8.3
119.08558	49.4
121.10148	53.3
123.11674	30.6
126.52794	5.7
131.08586	15.6
133.10146	40.5
134.91281	5.8
135.11688	26.8
137.12169	5.2
137.13251	7.8
144.09375	6.7
145.10080	25.6
147.11728	22.5
149.13286	24.3
155.08517	6.2
157.10144	9.4
159.11661	26.2
161.13261	17.0
163.14865	17.3
170.10922	6.1
171.11687	14.4
173.13271	10.2
175.11200	9.5
175.14882	20.0
177.16386	20.1
181.25304	6.3
183.11659	10.3
185.13269	10.6
187.14867	15.5
189.16422	16.5
191.17967	8.2
197.13271	8.2
199.14771	10.0
201.16393	13.5
203.17984	7.5
213.16383	8.5
215.17976	10.5
215.63512	5.7
227.18022	7.9
229.19510	9.3
230.20107	7.7
243.21034	6.1
257.04410	9.0
271.24185	8.8
285.21921	6.5
375.76413	5.3
391.33640	27.9
398.34882	5.4
409.34720	100.0
410.34967	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	410.217
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46934	0.7
50.83246	0.8
52.94240	0.7
70.59691	2.4
77.62725	0.9
79.05492	1.2
91.05448	1.5
93.07022	1.0
103.29073	0.9
105.07043	1.3
106.84634	0.8
107.04933	1.6
107.30617	0.8
123.04409	4.5
124.05251	1.6
131.07597	0.8
137.05968	0.8
143.18388	0.8
152.04749	1.5
153.01820	1.5
167.07031	100.0
168.07362	3.6
193.08607	2.7
211.09639	4.3
257.04300	0.9
258.04834	1.5
410.09702	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95954	0.5
56.91603	0.5
70.28830	1.0
70.29198	0.9
71.62790	0.5
75.35553	0.5
78.04698	1.3
79.05499	0.6
91.05495	0.7
95.04937	0.6
96.03513	0.5
106.04171	1.3
107.04955	1.1
121.06504	0.7
123.04453	3.8
124.05196	2.1
133.06458	0.9
137.05934	0.9
151.03882	0.7
152.04645	0.9
156.58884	0.6
161.05870	0.6
163.07545	0.5
167.07034	100.0
168.07378	4.3
181.08650	0.8
193.08641	2.8
211.09645	4.6
231.10063	0.7
243.98871	0.6
258.04898	0.8
271.58536	0.6
282.66711	0.6
410.18912	0.7
411.19687	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26940	0.6
53.03936	1.7
55.05511	23.5
57.03435	7.1
57.07076	82.4
58.07413	1.7
63.08967	0.7
65.03941	3.5
67.05504	76.6
68.05840	2.0
69.03446	1.3
69.07067	32.9
70.07405	1.1
71.04988	3.6
71.08633	3.3
71.31597	1.2
73.06577	0.8
77.94733	0.8
79.05494	21.2
80.05804	1.3
81.07056	100.0
82.07389	3.1
83.04984	1.9
83.08620	29.6
84.08962	1.1
85.06544	63.4
85.10168	1.7
86.06892	1.0
91.05472	9.6
93.07045	32.2
93.17863	0.6
94.07378	1.8
95.05009	1.7
95.08606	93.6
96.08939	4.2
96.09463	0.7
97.06532	3.6
97.10163	11.9
99.08139	0.8
102.05529	1.1
104.07105	88.7
105.06990	11.0
106.07343	1.7
107.07858	1.1
107.08591	27.6
108.08929	3.9
109.06515	6.6
109.10155	37.9
110.10500	2.6
111.08068	1.9
111.11715	3.2
113.09663	8.0
117.07034	2.4
119.08594	14.7
120.08949	2.0
121.06511	0.9
121.10149	29.9
122.10468	2.7
123.08051	1.2
123.11708	19.4
124.12053	1.4
125.09603	1.7
125.13251	5.3
127.11169	1.4
131.08578	6.0
132.08856	0.7
133.10130	10.4
134.10440	2.1
135.08081	1.7
135.11687	18.9
136.12024	2.6
137.09598	0.8
137.13258	13.9
137.14256	0.5
138.13571	1.3
139.11130	1.1
139.14786	2.0
141.12729	5.6
143.08534	1.7
145.10139	5.5
146.10446	1.7
146.39226	0.8
147.11688	7.1
148.11958	1.4
149.09602	1.2
149.12134	0.8
149.13258	12.6
150.13606	1.5
151.14784	2.3
153.12743	1.3
155.13159	1.2
155.14316	13.7
157.10086	1.5
158.10521	0.7
159.11719	4.0
160.11974	0.9
161.13304	4.1
162.13533	1.6
163.11169	0.9
163.14821	14.0
164.15126	1.8
165.12733	1.3
165.16373	2.2
170.10350	0.7
171.11642	1.1
173.13210	2.6
174.13554	1.5
175.14827	6.4
176.15117	1.2
177.12679	2.2
177.16370	16.6
178.16678	1.8
179.17973	4.0
183.11636	1.2
183.17444	1.1
185.13199	1.3
187.14850	4.7
188.15141	1.8
189.11230	0.7
189.12813	0.8
189.16388	12.4
190.16693	2.6
191.17929	7.8
192.18346	0.7
193.16141	0.7
193.19478	1.0
195.17375	1.3
199.14778	1.4
201.16460	4.0
203.17894	4.1
204.18236	2.0
205.15984	1.0
205.19540	4.0
206.16154	1.1
207.17421	7.7
213.16339	1.7
215.17920	1.5
216.18187	1.3
217.19621	1.3
218.19919	0.8
219.21039	0.9
227.17834	1.1
229.19456	1.0
235.16832	1.3
241.19562	0.9
243.21022	0.8
261.25772	32.5
262.26007	2.5
263.27209	0.8
269.22504	1.2
271.24081	1.7
279.23657	1.2
279.26825	28.8
280.27069	2.4
289.25290	6.5
307.26306	43.0
308.26666	4.0
350.26758	0.9
350.30563	14.8
351.30621	1.6
365.31830	2.0
378.30005	5.9
379.30054	1.1
392.33887	1.3
393.31390	1.7
410.32355	35.2
411.32776	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	7.3
55.05750	1.1
56.40505	1.3
57.06812	2.4
57.07074	33.6
66.12933	1.4
67.05496	9.4
68.05847	1.5
69.07066	10.3
69.53433	3.3
69.53835	6.6
71.08631	25.2
73.06553	3.1
79.05487	5.3
81.07062	16.9
82.07350	1.7
83.08627	8.9
84.08951	1.9
85.10175	22.8
87.04455	1.8
89.06030	100.0
90.06353	1.5
91.05466	7.6
93.07056	9.1
95.08599	24.7
96.08921	3.1
97.10163	2.9
99.11733	3.8
100.62101	1.1
105.07022	12.1
106.07334	3.0
107.08593	15.5
108.08923	3.7
109.06566	1.3
109.10169	11.2
110.10474	1.7
111.11709	1.8
113.09692	1.6
113.13353	1.3
117.07037	2.1
119.08569	15.0
120.08913	3.6
121.10142	13.4
122.10502	1.8
123.08087	2.2
123.11721	3.7
125.09555	1.5
127.07644	1.4
131.08604	3.0
133.08603	47.0
133.10085	9.0
134.10481	2.3
135.11685	7.0
137.09622	1.5
137.13263	4.4
138.09160	2.3
143.08592	3.4
145.10144	4.7
146.10486	2.4
147.11682	6.8
148.12080	2.1
149.13295	5.5
150.13655	1.8
151.07545	1.6
151.09686	3.3
151.11148	1.5
155.17987	3.8
157.10159	2.5
159.11708	6.7
160.11983	1.7
161.13248	4.5
163.11209	1.5
163.14873	3.9
164.15207	2.4
165.12743	1.6
171.11731	2.2
173.13338	2.9
174.13538	1.3
175.14827	5.7
176.15091	1.8
177.11240	10.9
177.16397	5.1
178.16710	1.7
187.14780	3.8
188.15108	2.7
189.16396	7.1
190.16705	1.9
191.17920	3.6
195.12236	2.5
198.13817	1.6
199.20639	3.0
201.16409	2.8
203.17967	5.6
203.62016	1.3
213.16403	1.6
218.19519	1.1
239.14879	22.8
243.21016	1.3
243.23233	4.4
287.25809	1.4
393.31842	15.4
410.35541	12.0
411.32172	6.0
411.36856	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	411.0377
Annotation	Eupalitin 3-O-sulfate
Peak:m/z	Relative Intensity
67.05486	0.6
69.03413	0.7
70.06557	0.4
71.32702	0.5
73.22627	0.4
81.07044	0.8
84.77169	0.3
86.06059	1.0
91.05434	0.4
92.12876	0.3
93.03391	0.5
93.07045	0.5
95.04927	0.5
95.08578	0.7
105.07020	0.6
105.71453	0.3
110.03622	0.8
119.08546	0.4
121.02843	1.1
121.85652	0.3
123.04399	1.0
129.06921	0.4
131.78624	0.4
133.10115	0.4
134.67775	0.4
137.02312	2.4
149.02339	0.8
151.03893	0.9
154.06247	0.6
156.10233	0.7
167.03387	0.7
167.07043	3.0
168.07396	0.5
173.12886	0.7
181.04926	2.2
190.70207	0.4
193.04938	0.8
203.03204	0.4
213.05388	1.0
214.06285	0.8
217.04973	0.6
220.95035	0.3
223.36504	0.4
227.03352	0.4
229.08678	0.6
231.06500	1.0
235.07510	0.5
241.05101	0.6
242.05690	1.8
243.06522	0.5
245.04468	0.9
245.08279	0.5
247.07507	0.4
248.08308	0.7
256.07239	0.6
257.04477	0.6
257.08203	0.7
259.05966	1.9
270.05231	0.7
271.06009	1.4
273.03943	8.8
274.04373	0.5
274.43918	0.4
278.09451	0.7
286.04581	0.5
287.05447	5.3
288.06195	3.2
299.05499	1.3
301.06946	0.6
302.07968	0.7
303.08548	0.9
315.04947	9.6
316.05759	32.2
317.06116	1.7
319.09821	0.7
330.07346	6.8
331.08096	100.0
332.08377	5.6
351.12216	1.0
358.16006	0.4
411.03787	15.4
411.15067	0.9
411.16019	0.6
411.19818	2.0
412.03986	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.5
55.05512	3.4
66.05532	0.4
67.05503	5.1
67.14588	0.5
68.47255	0.5
69.03411	0.7
69.07071	3.2
69.09628	4.5
71.04980	1.1
79.05486	3.9
81.03405	1.0
81.07057	6.1
83.04969	0.8
83.08605	1.7
85.06560	0.5
91.05484	3.2
93.07040	5.6
95.04952	1.2
95.08596	5.2
95.63464	0.5
97.06557	0.8
97.10168	1.4
99.08047	0.6
104.06241	1.5
105.07044	3.4
107.04943	0.6
107.08599	5.1
109.10162	2.6
111.08104	1.0
117.06988	1.1
119.08598	4.4
121.06512	1.1
121.10135	2.3
123.08093	0.7
123.11678	0.9
125.09618	1.4
131.04906	1.9
131.08539	1.8
132.05710	2.7
133.06500	2.3
133.10135	3.6
135.08054	0.7
135.11699	2.3
137.06010	0.8
137.09573	0.7
137.13310	0.6
141.06926	0.5
143.08562	1.1
145.10136	1.8
147.08002	1.4
147.11699	1.9
149.05983	9.1
149.13235	1.6
151.07506	2.6
155.08580	0.7
157.10100	1.2
159.11697	1.7
161.09673	0.5
161.13223	1.3
164.08328	100.0
165.08659	4.4
168.42300	0.5
171.11716	1.2
173.13252	1.4
175.11183	0.8
177.12758	0.6
177.16385	0.5
179.10674	53.8
180.11034	2.3
183.11710	0.8
185.13254	0.6
187.11107	0.5
187.14796	1.0
191.17947	1.2
195.13916	0.7
197.13258	0.6
199.13165	0.9
201.16333	1.0
203.10687	0.6
221.11728	18.7
222.12076	1.6
225.16449	0.5
239.17929	0.5
243.09940	15.1
244.10263	1.1
270.60968	0.6
362.42053	0.5
411.13965	1.3
411.23672	3.7
411.27768	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48345	0.8
70.03274	0.9
70.58692	1.6
70.59037	1.6
92.79640	0.8
104.49677	0.9
180.06885	0.9
201.03700	12.8
203.05258	55.6
204.05577	1.5
231.09950	9.0
233.11432	4.3
267.51431	0.8
267.68979	0.9
320.18735	1.0
362.32257	0.8
411.16196	100.0
412.16525	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	411.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
66.29855	0.2
69.41767	1.6
71.04989	0.9
81.50324	0.2
85.02901	0.8
129.05428	0.4
142.42566	0.3
144.75664	0.2
163.03920	0.4
249.10962	1.1
267.10748	0.3
320.12387	0.3
411.16193	100.0
412.16559	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	411.1988
Annotation	diflorasone
Peak:m/z	Relative Intensity
53.03941	0.4
57.03455	0.9
57.07092	0.3
57.47572	0.3
61.02899	0.4
69.03442	1.9
71.31900	0.3
71.32335	0.5
73.02929	1.7
81.03429	0.9
81.07055	0.5
85.02908	4.4
91.04028	0.5
96.90009	0.4
97.02881	2.3
105.07026	0.6
107.08634	0.8
109.02973	0.5
114.31830	0.4
115.03969	0.9
119.08617	0.4
123.04452	1.4
127.03935	1.3
129.05478	0.4
133.05026	0.6
135.11620	0.5
145.04971	2.3
147.04399	0.5
147.09137	0.4
163.03882	0.6
163.06090	1.5
167.07045	0.4
177.05638	0.5
186.75011	0.4
191.08310	0.6
203.03529	0.5
203.05333	0.7
249.03871	0.6
249.07730	0.7
269.13297	0.4
325.14212	0.4
411.19986	100.0
412.20337	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	411.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37814	0.2
56.62108	0.3
67.68751	0.2
69.03439	0.3
70.47275	0.7
71.04989	0.3
85.02917	0.4
92.93324	0.2
95.08630	0.3
95.56696	0.3
100.46848	0.3
105.06968	0.3
123.00345	0.3
123.04463	0.5
125.09604	0.3
140.20639	0.2
163.03957	0.3
175.77637	0.3
192.04065	0.4
203.05324	0.5
252.06161	0.4
347.13596	0.7
411.19901	100.0
412.20276	9.3
419.94446	0.3
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
51.80616	0.2
53.46464	0.2
67.05509	0.4
69.03431	0.3
69.14220	1.6
79.05457	0.3
79.82576	0.2
81.03426	0.2
81.07052	0.3
83.04960	0.3
85.02903	0.5
91.05488	0.4
93.07014	0.3
95.04931	0.3
97.02895	0.3
97.06521	0.2
105.07019	0.5
119.08549	0.2
123.04424	0.4
127.03954	0.2
133.10149	0.3
137.05933	0.3
139.03915	0.4
157.10139	0.3
160.41647	0.2
163.03893	0.2
165.05513	0.4
199.31633	0.2
215.07094	0.3
218.08260	0.2
240.94337	0.2
247.09865	0.2
248.12936	0.3
249.14755	0.2
411.19861	100.0
412.14914	0.6
412.20203	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	411.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.7
55.01865	0.5
55.05511	2.5
57.07067	1.0
58.27611	0.3
61.29318	0.4
67.05500	4.6
69.07066	4.5
71.04971	0.7
71.60713	0.4
79.05493	2.6
79.05890	0.4
81.07050	5.5
82.07387	0.6
83.04971	0.5
83.08601	2.0
85.06526	0.7
91.05474	2.8
91.54524	0.4
93.07049	4.7
95.08604	8.1
96.08939	0.5
97.06518	1.1
97.10143	0.9
98.22585	1.2
99.08084	0.5
104.07112	0.7
105.07023	3.8
107.08575	5.0
109.06517	0.6
109.10168	3.4
115.07560	1.1
117.07014	0.9
119.08578	5.1
121.06505	0.7
121.10129	6.2
123.11684	1.8
125.09594	0.6
131.08568	1.8
133.10129	3.2
135.08052	0.4
135.11702	2.3
137.09607	0.6
137.13264	0.4
143.08592	1.0
145.10089	1.8
147.11707	3.3
148.12035	0.4
149.09589	0.6
149.13263	1.9
157.10121	0.9
159.11673	1.5
161.13278	2.2
163.11166	0.6
163.14827	1.8
165.12740	0.6
169.10127	0.5
171.11682	1.0
173.13268	1.5
175.07516	0.5
175.11182	0.6
175.14830	2.7
177.16383	2.0
185.13272	1.1
187.14819	1.6
189.12756	0.5
189.16402	2.7
191.14319	0.8
199.14871	0.8
201.16365	1.5
203.14291	0.7
203.17972	1.3
205.15805	0.6
211.14789	0.4
213.16397	0.8
217.19572	0.8
228.78967	0.5
229.19516	0.6
239.17975	0.5
241.19443	0.4
279.23135	1.2
365.32013	0.9
393.31754	1.0
411.27148	100.0
412.27496	9.8
412.32590	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.6
55.01868	0.6
55.05513	1.0
57.37673	0.3
64.12114	0.3
65.03938	0.3
67.05508	1.6
69.03426	1.9
69.07056	0.9
71.04988	1.0
71.32446	0.5
79.05488	1.6
81.03417	1.0
81.07051	2.7
81.66465	0.3
81.75014	0.3
83.04997	0.6
83.08617	0.6
84.04503	0.4
85.02905	0.9
85.06569	0.4
86.06063	100.0
87.06406	1.4
88.07612	1.0
91.05466	1.5
93.07029	2.5
95.04979	1.3
95.08609	2.4
97.06535	0.7
98.06057	0.8
99.04446	0.5
99.09986	0.4
100.07625	1.5
103.05477	0.5
105.07025	2.2
107.04950	0.5
107.08601	2.2
109.02866	0.8
109.06534	0.8
109.10136	1.3
110.09670	1.3
111.08090	0.5
114.05478	0.3
115.05403	0.4
117.07011	0.8
119.08574	1.7
121.06496	1.0
121.10130	1.4
123.04450	1.0
123.11702	0.7
125.09578	0.4
127.03947	0.4
129.07034	0.3
131.08562	1.0
133.10123	1.6
135.08058	0.8
135.11667	0.7
137.05943	0.7
138.09126	1.3
139.03891	1.0
139.57584	0.3
143.08540	1.0
145.10129	1.2
146.10568	0.3
147.11676	1.4
149.05960	0.4
149.09618	0.4
149.13260	0.6
151.07587	0.7
151.11217	0.3
153.01817	0.5
153.05658	0.3
155.11816	0.5
156.10199	43.4
157.10332	1.3
159.08058	0.6
159.11707	0.7
160.95421	0.3
161.05930	0.5
161.09651	0.5
161.13303	0.6
163.11192	0.4
165.05455	0.8
167.07155	0.3
169.10149	0.5
171.08043	0.4
171.11696	0.7
172.26585	0.3
173.12852	50.8
174.13260	1.4
175.07518	0.6
175.11185	0.5
175.14844	0.4
179.07024	0.5
185.13307	0.6
187.11208	0.3
187.14827	0.5
189.12714	0.4
189.16498	0.3
191.07025	0.4
197.13277	0.4
201.16417	0.5
203.07024	0.4
203.10686	0.3
211.11188	0.5
216.17328	0.3
219.13971	0.4
231.10135	0.4
231.13672	0.4
249.07361	0.3
249.11182	1.0
291.19559	1.4
337.47156	0.3
354.29126	0.3
393.27725	0.4
411.10910	0.4
411.20215	5.2
411.28915	3.2
412.20322	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73679	1.1
53.03945	2.7
55.01877	4.4
55.05508	29.3
57.03434	3.2
57.07073	7.4
59.04998	2.3
64.70690	1.1
65.03942	2.5
67.05502	53.4
68.05848	1.9
69.03435	2.9
69.07065	100.0
70.07414	2.2
71.04993	8.9
71.31808	1.8
73.06544	9.7
79.05489	35.0
80.05802	1.6
81.07054	89.9
82.07389	3.2
83.05000	5.0
83.08614	20.7
85.06548	8.9
86.81068	1.3
91.05473	24.4
91.06045	1.5
93.07041	55.9
94.07368	2.4
95.04986	2.5
95.08601	80.4
96.08963	4.0
97.06525	22.4
97.10159	12.0
99.08103	3.1
103.05491	2.0
105.07023	33.7
107.08585	49.0
108.08926	2.8
109.06537	5.2
109.10147	40.9
109.10890	2.1
110.10532	1.7
111.08111	4.7
111.11753	3.7
115.07561	34.2
115.08318	2.0
117.07032	7.3
118.00161	1.1
119.08572	37.3
121.06541	3.7
121.10135	55.6
122.10471	1.7
123.08100	5.6
123.11695	20.0
123.12532	1.7
125.05996	1.6
125.09660	5.6
127.07642	1.6
129.07001	3.9
131.08565	22.2
132.08881	1.5
132.47379	1.2
133.10114	30.5
133.11006	2.1
135.08084	4.1
135.11685	30.0
135.12642	1.7
136.12018	2.2
137.09619	7.8
137.13235	7.5
139.11171	11.7
141.07030	1.4
142.07852	1.6
143.08566	8.9
145.10124	23.5
145.11218	1.5
146.10455	2.1
147.11682	22.8
148.12061	1.7
149.09683	4.9
149.13255	24.1
151.11162	7.1
151.14876	3.0
153.09154	2.2
153.12794	1.1
155.08540	1.6
155.10945	1.1
156.09435	2.2
157.10144	13.1
158.10826	1.9
159.11693	20.8
161.09647	2.2
161.13232	18.9
163.11250	4.5
163.14810	14.6
165.12743	23.8
165.13985	1.4
167.08626	1.3
167.10728	1.7
169.10197	4.1
171.11700	6.6
172.12231	1.2
173.13255	18.7
175.11237	3.0
175.14827	13.3
177.12764	6.4
177.16376	11.9
179.14383	2.8
181.10117	1.8
183.11748	5.3
183.13722	1.2
185.13257	9.3
187.13258	2.7
187.14774	14.1
187.16309	1.4
188.15234	1.6
189.12808	2.6
189.16382	18.4
189.67096	1.5
191.14400	3.2
191.18031	4.4
193.15955	2.2
195.11803	1.6
197.13361	4.6
199.14792	9.3
201.16394	15.2
203.14407	2.3
203.18019	4.4
205.15939	8.8
207.17497	3.3
211.14873	2.1
213.16452	3.2
215.14456	1.7
215.17946	6.1
217.15858	2.9
219.17401	6.3
223.14915	1.5
225.16478	2.6
227.14432	1.6
227.18102	2.4
229.19566	4.5
233.19028	2.2
235.17020	1.9
237.16229	2.4
237.18463	22.0
239.18069	4.7
241.16006	1.6
241.19672	4.9
243.17554	3.1
243.21198	4.0
247.17175	1.8
247.20648	2.1
249.18629	2.4
255.17397	1.7
255.19386	6.0
257.18915	6.4
259.20667	3.7
261.22037	8.0
269.19034	1.8
271.20538	2.2
279.23233	14.4
285.11389	1.1
293.22971	1.8
297.24384	1.7
353.28488	2.9
365.28381	2.3
365.32468	1.5
375.29379	6.8
381.31522	1.4
393.31506	31.4
394.31885	3.6
411.32648	46.7
412.32840	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	411.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.8
55.05511	30.5
57.07074	7.6
67.05504	18.2
69.07069	27.8
69.44939	9.4
73.41142	1.5
79.05486	16.6
81.07055	42.7
83.08120	3.4
83.08618	72.1
91.05473	23.4
91.91225	1.6
93.07047	40.8
95.08603	76.5
96.08946	3.6
97.06536	3.1
97.10176	5.9
98.22664	3.2
105.07024	39.8
107.08590	77.0
108.08932	2.3
109.06551	2.4
109.10160	36.5
110.10513	2.0
111.08095	2.6
117.06994	4.8
119.08575	100.0
120.08939	4.4
121.10140	82.3
122.10442	3.9
123.11691	12.0
129.07013	1.8
131.08575	10.1
133.10127	53.0
134.10446	1.9
135.11685	33.6
137.13277	6.4
143.08559	4.5
145.10123	11.9
146.10895	1.5
147.11664	29.7
148.12039	2.6
149.13258	17.8
151.07565	2.7
151.14793	2.4
153.09106	9.4
157.10167	5.6
159.11700	9.7
161.13245	16.6
163.11179	2.0
163.14806	26.8
164.15138	3.2
165.09024	1.9
167.10672	3.5
171.11700	4.4
173.13272	10.9
175.14828	53.3
176.15160	3.0
177.09221	1.9
177.16385	63.6
178.16759	4.3
185.13284	4.7
187.14844	7.3
188.15292	2.0
189.16377	84.8
190.16728	5.3
191.17923	23.7
192.18248	2.7
199.14798	3.6
201.16379	12.4
203.17932	17.4
204.18411	2.3
205.19527	3.3
207.17448	5.5
209.13280	1.6
213.16386	7.4
215.17999	5.4
217.19545	5.0
221.15396	2.3
227.18057	3.8
229.19504	5.0
235.17023	8.6
241.19467	3.4
243.21152	2.8
247.16982	5.6
249.18399	2.6
258.97052	1.7
261.18604	2.2
269.22559	3.2
283.24051	2.1
287.20233	2.7
295.24246	2.8
305.59967	2.2
309.25543	3.2
329.24902	3.1
355.26297	4.4
365.31873	12.8
366.32211	2.0
411.32355	30.2
412.32748	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	411.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44768	1.3
52.21762	1.5
52.85958	1.4
53.03939	2.4
55.05511	18.6
56.05000	1.6
57.07080	11.0
59.05035	1.4
59.55343	1.6
60.53462	1.3
67.05505	26.9
69.03435	2.3
69.07066	30.8
69.13038	14.3
70.07398	2.2
71.04996	4.7
71.08631	5.6
79.05494	22.1
81.03411	1.6
81.07056	53.8
82.92680	1.4
83.01307	1.5
83.08614	17.5
85.06542	4.4
85.10194	2.1
91.05473	22.4
93.07043	44.1
94.07349	2.2
95.04958	3.6
95.08607	77.1
96.08925	4.0
97.06520	2.8
97.10166	6.8
103.05473	2.4
104.07114	3.0
104.72998	1.5
105.07030	45.3
106.07342	1.6
107.08591	68.1
109.06537	3.0
109.10152	43.9
111.08095	4.4
111.11682	2.8
113.06036	1.9
117.07041	10.6
119.08580	64.2
120.08930	1.9
121.06483	2.2
121.10141	54.1
122.10488	2.4
123.08076	5.3
123.11707	17.4
125.09629	3.2
128.06158	1.7
129.07014	7.2
130.07822	3.6
131.08569	53.4
133.10136	38.2
133.53960	1.6
135.08060	6.0
135.11685	26.8
136.12025	2.6
137.09621	5.3
137.13263	9.2
139.07541	3.3
139.11151	2.2
142.07809	2.6
143.08542	15.5
144.09398	3.3
145.10120	59.5
146.10529	3.7
147.11691	21.6
149.09607	3.2
149.13264	22.4
150.13559	1.8
151.11194	2.0
151.14844	7.1
153.09172	4.2
155.08499	2.3
156.09338	3.4
157.10121	24.1
158.10922	4.1
159.07991	1.7
159.11687	40.9
160.12103	2.9
161.13252	17.8
163.11209	2.5
163.14810	24.6
164.15135	1.8
167.10677	5.3
167.21896	1.6
169.10132	4.3
170.10889	2.7
171.11687	11.9
172.12454	2.9
173.13252	26.1
174.13686	2.5
175.11246	2.6
175.14822	25.4
176.15263	1.8
177.09201	2.5
177.12807	3.9
177.16370	15.6
181.12225	7.9
183.11694	5.1
185.09702	1.8
185.13261	15.8
186.13905	1.8
187.14813	89.6
188.15163	5.9
189.16394	21.5
190.16864	2.1
191.07043	1.8
191.17967	7.6
193.15825	1.8
197.13301	2.6
199.14804	11.9
201.16385	55.0
202.16762	3.9
203.14430	2.9
203.17969	13.2
205.08624	6.9
205.12215	1.7
209.13327	1.6
209.15439	5.0
211.14928	3.0
212.88472	1.5
213.16362	13.5
215.17924	16.8
217.16035	1.8
217.19545	4.1
219.17587	2.5
219.64864	1.5
221.15511	4.2
223.09587	7.5
225.16446	3.0
227.17865	11.4
228.18735	3.0
229.19496	15.4
231.21101	4.4
235.17023	2.2
237.18617	2.3
239.17940	3.4
241.19505	8.3
242.19966	1.9
243.21098	3.5
249.18535	2.7
251.18011	1.9
253.19553	2.1
255.21063	11.3
256.21405	2.6
257.22485	2.0
267.21237	2.4
269.22699	6.6
277.99100	1.7
287.19891	2.2
309.25751	2.6
315.23190	3.4
341.24915	3.5
351.30591	12.0
352.30756	1.9
355.26682	2.6
355.50351	1.8
365.28241	3.9
369.28061	2.1
375.04681	1.7
375.30194	1.9
393.31284	10.8
394.31683	1.9
411.32623	100.0
412.33154	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	411.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.3
55.01873	2.3
55.05260	1.9
55.05510	27.5
57.03445	1.7
57.07069	5.0
59.04982	1.9
63.95922	1.2
65.03943	2.7
67.05507	52.9
69.03426	3.9
69.07069	100.0
70.07403	1.4
71.04989	6.3
73.06567	14.2
74.47078	1.5
79.05491	27.8
81.03436	1.4
81.07056	80.6
82.07392	1.9
83.04985	3.7
83.08618	15.6
85.06530	9.7
91.05474	16.9
93.07043	27.3
95.04961	3.7
95.08606	79.5
96.08948	2.1
97.06539	22.8
97.10155	13.7
99.08122	2.0
105.07028	21.6
107.08593	34.8
109.06524	2.1
109.10162	31.4
110.10426	1.9
111.08065	4.5
113.09612	1.3
115.07569	68.5
116.07943	2.3
116.98698	1.2
117.07011	7.7
119.08593	19.2
121.10142	25.4
123.08102	4.1
123.11707	18.5
124.11990	1.5
125.05991	1.4
125.09629	10.5
129.07053	3.7
131.08563	13.3
133.10149	19.0
135.08034	1.7
135.11687	21.8
137.09637	3.0
137.13257	33.1
138.13550	1.5
139.11185	1.8
143.08583	4.7
145.10106	14.6
147.08060	2.1
147.11690	15.9
149.13286	11.4
151.11156	2.8
151.14818	4.6
157.10130	9.2
159.11693	18.4
161.13252	13.9
162.37491	1.3
163.11227	1.9
163.14830	4.4
165.12778	6.7
169.10121	2.9
171.11739	7.4
173.13257	10.2
175.11201	1.9
175.14847	4.6
177.12762	3.9
177.16444	2.6
179.14363	3.1
181.10083	1.6
183.11685	3.6
185.13290	8.8
187.11192	1.4
187.14799	10.0
189.12727	3.3
189.16341	6.6
191.14447	1.4
191.17955	8.5
195.13863	4.8
197.13258	3.8
199.13260	3.0
199.14842	3.9
201.16428	6.3
203.14238	8.2
203.17952	3.8
207.17444	5.1
211.14917	2.1
213.16354	4.1
215.14319	3.2
215.17998	3.8
217.19588	1.9
225.16428	3.1
227.17928	1.8
239.17964	3.5
241.16017	2.0
241.19359	1.9
243.17511	2.5
243.21097	3.9
255.17363	2.4
255.21083	2.3
257.19012	2.5
259.20462	1.4
261.22171	12.7
269.17310	2.3
279.23190	38.3
280.23517	1.6
297.24420	2.7
375.30011	2.3
393.27188	1.4
393.31564	13.4
394.31790	2.2
411.27307	12.9
411.32388	15.7
412.32950	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	411.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	5.7
55.05510	32.7
55.92114	2.2
57.07067	8.2
58.60367	2.2
59.05002	2.8
61.16432	2.0
65.03962	3.4
67.05506	37.5
69.03411	4.1
69.07066	42.7
71.04998	10.5
71.08615	2.2
77.32615	3.0
79.05494	36.6
81.07059	82.7
82.07416	4.1
83.04993	5.1
83.08617	36.5
85.06554	16.5
91.05481	33.0
93.07048	68.0
93.07610	4.6
94.07380	2.8
95.04977	6.2
95.08607	100.0
95.83453	2.1
96.08938	4.7
97.06538	2.8
97.10181	7.5
99.08121	3.2
105.07036	57.1
106.07344	2.4
107.04951	2.3
107.08593	89.7
108.08910	4.5
109.06518	12.4
109.10155	46.5
110.10522	2.7
111.08060	4.1
117.06988	11.4
119.08583	77.6
120.08907	3.0
121.06543	4.4
121.10146	88.3
122.10507	5.5
123.08093	15.5
123.11712	36.7
124.12035	2.4
125.09624	3.6
129.07021	8.5
131.08572	32.7
133.10129	53.9
134.10474	4.0
135.08093	4.6
135.11700	46.9
137.09634	8.9
137.13251	14.4
139.11182	8.0
142.07750	6.2
143.08583	19.9
145.10121	45.4
147.11679	39.9
147.12732	3.6
148.12016	3.6
149.09641	7.2
149.13257	54.3
150.13640	2.7
151.11182	13.1
153.09087	2.6
155.08542	5.7
156.09323	4.3
157.10133	29.4
159.11708	39.4
161.09698	3.6
161.13258	36.8
163.11250	6.9
163.14822	20.3
165.12750	67.4
166.13171	4.1
169.10150	7.9
171.11673	19.3
172.12233	2.3
173.13269	45.1
175.11287	3.9
175.14801	34.2
177.12787	10.5
177.16370	28.0
183.11627	12.1
185.13278	21.1
187.11188	4.8
187.14822	23.8
189.12683	3.4
189.16386	39.1
191.14346	6.2
191.17986	8.0
193.15854	4.2
195.11700	3.9
197.13206	12.9
199.14796	20.1
201.12729	2.5
201.16362	19.7
203.14359	5.8
203.17938	11.2
205.15819	16.3
207.11743	2.5
207.17503	5.0
209.13408	3.4
211.14886	7.8
213.16420	8.4
215.14334	5.7
215.18045	10.3
216.15207	2.8
217.15903	6.8
217.19356	2.6
219.17448	2.8
221.19008	3.3
223.14867	3.1
225.16513	3.9
227.18005	8.1
229.19548	7.8
235.17068	3.4
237.16327	3.5
239.17996	9.2
241.15921	2.9
241.19481	14.9
243.17537	6.0
245.19069	4.4
253.19710	5.3
255.17517	6.4
255.21213	4.5
257.19025	15.6
257.22650	2.7
259.20554	11.3
269.19031	5.6
271.20456	3.1
291.91074	2.7
319.24298	2.5
327.26901	2.6
353.28476	4.5
365.32062	3.7
369.31522	3.4
375.30551	5.3
381.31790	5.1
393.31488	68.3
394.31912	9.6
411.32617	95.8
412.33090	11.0
414.47476	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11261	1.4
53.03940	2.4
55.01872	2.1
55.05511	33.8
57.07080	6.0
60.23655	1.5
65.03928	1.4
67.05502	24.9
69.07069	33.1
69.44789	2.4
69.45196	8.0
71.04999	2.2
71.08624	2.8
72.69349	1.6
79.05497	16.7
81.07057	42.6
81.13561	1.8
82.07384	3.0
83.08616	73.9
85.06522	3.5
91.05470	18.9
92.05821	1.8
93.07044	37.7
95.04930	2.1
95.08605	77.6
96.08948	5.4
97.06535	2.4
97.10175	8.0
105.07026	46.3
107.08594	74.4
108.08929	3.9
109.06536	2.5
109.10159	38.0
111.08069	3.4
111.11752	1.6
112.73647	1.5
117.07007	4.8
119.08578	81.5
120.08947	2.6
121.10141	65.8
122.10488	4.0
123.08097	1.8
123.11710	12.5
125.09661	2.4
129.07100	1.5
130.07712	1.4
131.08545	8.9
133.10129	52.1
134.10458	2.2
135.11691	28.9
136.12039	2.2
137.09622	1.9
137.13278	4.3
139.07582	2.1
143.08592	4.9
145.10126	16.6
147.11679	35.6
148.12045	2.1
149.13234	18.3
151.14758	2.2
153.09126	5.9
157.10176	4.4
159.11720	10.3
161.09689	1.6
161.13268	21.0
163.11209	1.8
163.14809	27.5
165.16376	3.2
171.11644	4.8
173.13239	7.0
175.11307	1.6
175.14818	46.5
176.15195	4.4
177.16379	51.2
178.16739	5.1
185.13206	2.3
187.07283	1.8
187.14827	10.0
188.15225	1.9
189.16382	100.0
190.16663	7.9
191.17940	12.0
193.15878	2.3
193.33922	1.5
199.14839	4.5
201.16379	17.0
203.17966	20.5
204.18343	3.6
205.19496	2.5
207.17490	4.9
211.14882	1.8
213.16373	6.7
214.16666	1.8
215.17941	5.7
217.19533	5.2
221.15442	2.6
223.09685	1.9
223.20741	2.3
225.16405	2.0
227.17935	1.9
229.19563	5.2
235.16856	6.9
239.18188	1.7
241.19481	3.5
243.21193	2.1
247.16962	4.3
255.21181	2.8
257.22736	2.1
261.18698	2.9
281.22485	2.4
283.24237	3.2
301.21576	2.2
309.25809	3.4
329.24646	3.1
341.24811	2.1
355.26160	2.4
365.32040	9.7
393.35272	2.1
411.32355	32.4
412.32956	4.6
416.47180	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.8
55.01872	5.9
55.05522	29.2
57.07073	6.3
63.12164	2.6
65.03917	5.3
67.05507	45.5
69.03432	9.2
69.07070	29.9
69.81311	10.9
69.81720	7.3
71.05001	9.7
78.10906	2.7
79.05489	35.7
81.03419	9.6
81.04116	3.2
81.07060	68.7
82.81116	2.7
83.04972	10.3
83.08618	15.3
85.06539	6.6
86.06084	5.4
91.05471	40.5
93.07042	69.1
94.07383	3.2
95.04967	15.1
95.08602	77.4
97.06548	9.3
97.10219	7.5
105.07026	68.2
106.65938	3.0
107.04950	5.4
107.08588	68.0
107.09266	5.0
108.08974	2.9
109.02828	4.0
109.06512	9.2
109.10159	46.6
111.08088	9.1
115.05468	3.8
117.07037	12.7
119.08585	65.5
121.06540	12.1
121.10135	44.4
123.04433	5.5
123.08044	7.3
123.11710	19.1
125.09628	11.1
128.06288	4.9
129.06998	5.8
130.07823	3.6
131.08562	37.8
133.06490	4.5
133.10133	51.4
134.10484	3.9
135.08086	12.2
135.11687	39.7
136.11998	3.1
137.06006	5.9
137.09665	10.2
137.13327	4.9
139.11180	5.3
142.07835	4.3
143.08537	16.4
145.06480	3.6
145.10118	44.4
147.08080	6.6
147.11646	38.2
149.09660	8.0
149.13249	36.2
151.07565	3.9
151.11220	4.5
155.08578	9.0
157.10130	24.2
159.08046	6.0
159.11699	42.6
161.09648	4.1
161.13248	31.9
163.11191	9.2
163.14821	15.0
169.10139	11.4
171.08142	3.5
171.11678	21.1
173.09674	5.4
173.13271	29.9
175.11208	7.1
175.14731	22.2
177.12755	7.5
177.16386	9.7
179.14433	3.7
182.10915	3.1
183.11731	10.9
185.13243	15.1
187.11237	6.5
187.14795	35.0
189.09174	4.6
189.12804	12.7
189.16374	24.7
191.06995	4.4
191.14331	26.3
191.18051	4.2
195.11674	4.7
197.13312	11.1
199.14798	17.3
201.12811	6.8
201.16409	13.9
203.14456	9.3
203.18034	12.8
205.15823	14.8
207.11737	3.6
207.17499	12.0
209.13361	6.7
211.11372	3.2
211.14877	6.4
213.16449	11.5
215.14412	5.7
215.17979	12.0
216.15175	3.9
217.19456	6.2
219.17546	4.0
223.14864	3.9
225.16431	6.1
227.18024	8.8
229.15948	4.2
229.19658	4.6
231.17531	9.2
233.15475	4.5
239.17947	4.4
243.17503	3.8
245.19101	10.6
257.19073	8.7
259.05807	3.5
265.04755	3.2
285.22385	3.6
335.27319	3.6
337.25067	3.6
353.28723	5.5
357.17123	3.4
367.29962	3.7
375.30396	7.6
393.27438	3.1
393.31650	45.9
394.31888	6.4
411.14587	5.6
411.20041	15.8
411.24246	13.4
411.32687	100.0
412.33084	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	411.3619
Annotation	7-Dehydrofucosterol
Peak:m/z	Relative Intensity
51.19828	1.1
53.03930	2.9
55.05512	16.3
57.07075	16.4
62.65897	1.2
65.03958	1.5
67.05498	27.7
69.07064	37.2
69.07438	2.3
71.08633	17.3
79.05498	15.4
81.07050	42.5
82.07379	1.4
83.04984	3.6
83.08616	13.9
85.10191	9.7
91.05476	22.7
93.07038	25.1
93.07590	2.2
95.04973	3.6
95.08601	63.5
96.08937	2.2
96.39275	1.1
97.06513	2.0
97.10172	13.4
103.05485	1.3
105.07027	35.1
106.07307	1.3
107.04951	1.3
107.08591	24.4
109.06531	2.7
109.10155	25.0
111.11712	8.7
111.49400	1.4
117.07002	14.5
119.08567	26.2
119.09386	1.7
121.06509	16.4
121.10126	14.5
123.08118	2.2
123.11708	10.9
125.13261	2.6
128.06238	5.5
129.06999	13.2
130.07823	1.4
131.08571	18.7
133.06490	2.3
133.10124	20.2
135.08093	3.7
135.11678	10.7
135.77090	1.5
137.09602	3.0
137.13272	5.0
141.07022	2.9
142.07777	9.6
143.08549	15.3
144.09294	3.2
145.10118	30.5
145.11188	2.2
147.08066	2.5
147.11681	20.4
149.13231	8.5
151.14822	2.5
155.08563	4.8
156.09343	2.0
157.10110	26.9
158.10509	2.9
159.11694	25.6
160.08855	2.7
160.11946	1.8
161.09644	5.1
161.13266	9.6
163.11217	3.2
163.14825	4.4
165.12828	2.0
169.10123	5.3
171.11664	12.6
173.09532	1.6
173.13248	12.1
175.11192	30.5
175.12621	2.5
175.14810	3.3
176.11467	1.4
177.12773	5.0
177.16406	1.9
179.66049	1.3
183.11638	7.7
184.12531	1.6
185.13222	7.8
187.14859	5.6
189.12715	6.9
189.16396	1.8
191.14378	2.0
195.11726	1.5
197.13303	7.0
199.14847	7.6
201.16405	2.5
203.14230	2.3
203.17978	1.8
211.14803	6.5
213.16414	5.6
215.14354	3.0
215.17917	2.7
217.15916	1.8
217.19521	1.6
225.16451	5.0
227.17876	2.1
228.85561	1.5
229.15985	2.9
231.21030	1.8
233.22592	1.6
235.24294	1.6
239.17899	7.1
241.19493	1.6
247.24158	2.4
253.19485	8.1
257.19080	2.4
271.20627	4.3
271.24091	1.9
281.22714	2.2
285.22134	1.7
295.24191	5.4
299.27325	2.1
317.28516	1.4
324.70181	1.4
383.36749	4.0
393.35147	37.4
394.35510	5.7
411.17313	5.1
411.36273	100.0
412.36520	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	411.3621
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
53.03940	1.5
55.05510	9.6
57.03431	0.9
57.07067	3.6
67.05504	16.6
69.03411	0.9
69.07067	13.3
69.07410	1.5
70.07410	0.9
71.04997	1.9
71.08624	0.9
71.30850	1.1
74.30346	0.8
79.05497	10.6
81.06571	1.6
81.07055	31.5
82.07400	1.6
83.08619	6.0
85.10178	1.0
91.05479	13.6
93.07042	25.6
94.07393	1.1
95.04960	1.2
95.08605	60.1
96.08947	2.4
97.06534	3.1
97.10162	4.9
99.08114	0.9
104.07166	0.9
105.07027	30.1
107.04965	1.0
107.08591	40.2
108.08932	1.5
109.06550	1.2
109.10152	27.6
111.08109	1.7
111.11735	2.2
113.06072	0.8
113.09637	0.9
115.05424	1.1
117.06963	4.0
119.08577	40.5
121.10140	33.3
123.08092	1.8
123.11703	10.1
125.09684	1.5
131.08565	5.2
133.10126	30.2
134.10455	1.2
135.11688	22.9
135.12648	1.9
136.12047	1.6
137.09641	1.3
137.13268	5.1
139.11209	1.1
143.08569	1.4
145.10117	8.4
147.11684	22.3
148.12117	1.1
149.13254	10.7
151.14844	2.8
157.10133	2.4
158.10847	1.1
159.11668	7.4
161.05841	0.8
161.13260	13.0
162.13641	1.3
163.07433	1.0
163.14841	9.6
171.11693	1.4
173.13258	7.2
175.14830	11.1
176.15155	1.0
177.16370	8.0
178.16777	0.9
179.14362	1.7
185.13380	1.5
187.14828	6.6
189.16379	41.6
189.40356	1.0
190.16721	2.0
191.17931	9.8
199.14867	1.5
201.16422	6.8
203.17950	16.2
205.08682	1.6
205.19481	1.2
207.17491	1.1
213.16409	1.3
215.18002	3.8
217.19580	2.8
223.09708	1.1
227.17955	1.1
229.19551	3.9
231.21153	1.6
241.19612	1.1
243.21111	3.9
245.22791	1.1
255.21046	2.4
257.22696	3.8
258.23010	0.8
259.24237	1.7
261.22101	1.9
269.22720	1.1
271.24207	2.0
279.23267	1.3
309.25830	1.6
393.35345	4.4
411.36255	100.0
412.36615	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	411.3621
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
53.03947	1.9
55.05509	20.7
55.05777	1.0
57.07076	10.9
60.04528	6.3
64.41378	0.8
65.03955	1.3
67.05505	20.6
67.79921	0.8
69.07068	32.9
71.08625	7.0
79.05495	15.5
80.05844	1.0
81.07056	48.5
82.07402	1.1
83.05001	1.9
83.08621	27.4
83.22765	0.9
84.08957	1.0
85.06576	2.5
85.10214	2.6
91.05474	12.6
91.05992	1.2
93.07042	40.0
94.07385	1.5
95.04993	2.4
95.08604	100.0
96.08965	2.5
97.06540	2.5
97.10177	18.0
99.08134	1.6
102.05547	5.6
104.07140	4.1
105.07025	24.6
107.08591	63.2
108.08990	1.9
109.06562	2.9
109.10157	44.8
110.10514	2.0
111.08105	3.6
111.11700	8.6
117.07030	2.3
119.08578	34.3
119.09413	1.7
120.06580	14.3
120.07364	0.9
120.08912	1.4
121.10144	54.1
122.10516	1.7
123.08055	1.6
123.11707	17.2
125.09667	1.5
125.13270	1.7
129.06982	1.1
131.08580	5.8
133.10123	23.6
135.08096	2.0
135.11685	31.3
136.12119	1.5
137.09656	1.9
137.13249	7.4
145.10117	10.2
147.11681	21.4
149.13258	37.6
149.14426	2.1
150.13664	1.6
151.07587	3.4
151.11218	2.4
151.14877	2.6
157.10233	2.5
159.11703	12.3
161.13258	19.6
162.13564	0.9
163.11232	1.8
163.14821	60.4
164.15237	2.6
165.12834	2.0
165.16534	1.2
171.11636	2.0
173.13260	9.0
174.14078	1.0
175.14827	22.6
176.15198	1.4
177.09160	1.8
177.12831	3.0
177.16380	21.8
178.16823	1.2
179.14333	8.0
181.15822	1.2
185.13248	1.9
187.14822	14.5
188.15182	1.0
189.16382	29.9
190.16818	1.1
191.07050	1.3
191.10728	3.2
191.14421	1.3
191.17929	16.4
191.19412	1.2
192.18376	1.2
193.15855	1.1
199.14851	1.8
201.16414	10.8
203.17943	31.5
204.18408	1.2
205.08658	1.6
205.12556	1.0
205.15981	2.8
205.19615	4.1
207.17558	4.2
210.84351	0.9
213.16437	1.9
215.17969	5.8
217.19507	6.6
219.17506	2.4
219.21190	1.5
221.19037	1.1
223.09767	3.1
227.18011	2.8
229.19638	4.5
231.21057	15.1
231.22987	1.1
232.21370	1.1
233.18990	5.0
233.22679	1.8
241.19698	2.7
243.21117	1.3
247.24428	1.0
255.21178	3.3
257.22519	1.2
261.22131	1.4
269.22791	2.2
273.22235	1.2
275.27374	2.2
283.27283	1.0
293.28616	3.5
297.25781	9.6
315.26855	5.7
337.29196	1.2
341.28455	1.8
351.30408	1.1
352.31534	1.0
365.28406	1.0
393.31534	1.0
393.35352	9.4
394.33310	1.5
410.61911	0.9
411.25021	2.3
411.36447	61.0
412.34729	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	411.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17735	1.7
53.03942	2.8
54.36140	1.6
55.05510	20.3
55.68698	1.7
57.07063	5.2
65.03934	2.4
67.05502	35.5
69.07064	33.8
69.79910	7.0
71.04975	3.3
71.08600	3.1
79.05490	25.3
81.03431	2.0
81.07052	73.2
82.07397	2.2
83.08617	20.5
83.50909	1.7
85.06540	3.3
88.95467	1.8
91.05478	23.7
93.07041	51.3
94.07378	3.5
95.04981	3.6
95.08601	100.0
96.08911	4.9
97.06527	5.0
97.10133	9.0
99.08085	2.1
102.05534	2.7
104.07099	20.3
105.07017	41.1
107.08589	78.9
108.08927	5.0
109.06551	2.2
109.10151	58.7
109.34204	1.8
111.08088	6.0
111.11764	3.3
115.07634	1.6
117.07024	6.3
119.08566	56.8
120.08887	3.2
121.09272	2.9
121.10139	57.6
122.10499	3.0
123.08063	3.7
123.11700	20.9
125.09563	2.3
131.08551	11.9
133.10127	43.0
133.11119	2.2
134.10478	2.8
135.08043	3.9
135.11684	36.8
136.12041	2.1
137.09627	3.5
137.13274	6.0
139.11217	3.1
143.08569	5.0
144.09480	1.9
145.10139	19.2
147.11685	33.2
149.09619	2.1
149.13239	30.3
151.11153	2.9
151.14935	1.7
157.10120	5.0
159.11693	17.3
161.13263	29.1
163.03990	2.5
163.14801	29.3
164.15240	2.3
169.10135	2.4
171.11703	7.1
173.13226	15.1
175.14801	27.7
176.15172	2.9
177.12738	2.4
177.16408	21.1
179.14330	6.9
183.11739	2.8
185.13309	5.2
187.14796	15.8
189.16373	38.7
190.16788	2.9
191.17957	17.8
193.15932	2.3
193.19658	2.0
197.13127	2.7
199.14789	4.5
201.16324	13.2
203.14508	2.8
203.17957	27.8
204.18480	2.9
205.15918	3.7
205.19608	2.8
207.17455	3.8
213.16377	5.4
215.17917	11.7
217.19460	8.3
219.17439	2.6
227.17989	3.6
229.15977	3.0
229.19452	6.0
231.17462	2.0
231.21104	6.9
233.18967	5.2
241.19533	3.3
243.21101	5.1
245.22641	2.5
255.21124	2.7
257.15012	2.0
257.22681	4.0
263.27228	1.8
271.24051	3.0
393.35214	11.8
394.33899	2.2
411.28711	6.8
411.36542	38.3
412.36337	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	411.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	14.3
57.07081	6.3
59.69526	1.6
60.90351	1.4
67.05506	20.3
69.07064	19.3
71.08628	7.7
79.05485	16.2
81.07060	43.3
83.08627	12.7
91.05488	29.0
93.07048	30.6
95.08609	59.8
96.08913	1.7
97.06528	1.5
97.10181	5.6
98.23418	3.6
99.08099	3.6
104.07127	3.9
105.07027	42.7
106.07366	2.1
106.53979	1.3
107.08596	44.3
109.06466	1.8
109.10159	30.7
111.08051	3.3
111.11716	2.2
117.07046	3.8
119.08585	46.5
120.08915	1.7
121.06517	1.8
121.10139	34.2
123.11713	12.4
131.08572	6.4
133.10132	44.3
135.11705	28.4
136.11972	1.4
137.13249	4.3
139.11223	1.5
143.08607	4.2
145.10123	9.3
147.11682	32.0
148.12086	2.5
149.09694	1.3
149.13298	11.3
153.12769	1.6
157.10123	3.4
157.98624	1.3
159.11731	8.6
161.13246	18.7
163.14848	13.5
165.12833	2.1
166.12984	1.7
169.10182	1.9
171.08148	1.5
171.11720	3.4
173.13318	6.0
175.14859	15.0
177.12798	1.4
177.16432	18.1
178.16803	1.3
179.14343	3.7
185.13261	2.2
187.14822	8.3
189.16389	100.0
190.16724	5.6
191.17970	12.9
199.14851	3.2
201.16423	8.3
203.17958	22.8
204.18385	1.4
205.08673	1.7
205.15846	1.8
205.19472	1.8
207.17381	3.5
211.14793	1.8
213.16405	4.1
215.17989	3.8
217.19589	4.4
227.18091	3.1
229.19533	3.4
231.21147	5.7
241.19550	2.2
243.21132	3.1
245.22749	1.5
255.21147	2.9
257.22699	3.0
262.26230	2.8
269.22601	1.7
271.24133	1.6
278.52774	1.5
289.56693	1.4
311.60379	1.9
314.34372	1.3
391.12924	1.6
393.35562	8.6
411.04083	2.1
411.24902	2.9
411.36578	34.9
412.36578	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	411.362
Annotation	7-Dehydrofucosterol
Peak:m/z	Relative Intensity
57.07064	21.5
64.76261	16.9
66.59396	18.2
69.07084	25.6
69.34007	19.4
71.33739	22.5
73.66194	14.6
79.05501	19.4
81.07051	74.3
93.07060	44.3
95.08607	86.1
105.07021	46.0
107.08544	39.1
109.10141	34.5
119.08562	39.7
121.10139	48.4
134.05022	15.7
135.11720	45.3
145.10109	18.0
149.13280	30.6
158.91028	16.7
201.16339	26.8
295.20255	16.1
393.35190	17.9
411.16864	43.9
411.36292	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3619
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
53.03943	1.5
55.05511	11.5
57.07076	3.3
59.05026	1.4
60.48075	0.9
64.08553	0.9
65.03934	1.4
67.05505	17.2
68.05846	1.7
69.04061	10.0
69.07069	19.5
71.08637	3.3
72.08956	1.0
79.05500	10.8
81.07056	41.3
82.07388	2.4
83.08621	16.2
91.05487	11.9
93.07046	28.7
93.07600	2.0
94.07375	1.2
95.04963	1.5
95.08606	59.3
96.08976	2.8
97.06544	2.7
97.10174	5.0
99.08108	3.7
100.08565	0.9
104.07127	1.9
105.07030	27.4
107.08594	42.8
108.08932	2.2
109.06506	1.3
109.10157	33.1
109.10893	1.7
111.08096	2.5
111.11749	1.2
113.09606	0.9
117.07042	2.0
119.08583	36.4
119.09426	1.8
120.08987	1.4
121.10143	36.4
122.10471	1.5
123.08092	2.0
123.11706	15.1
123.12553	1.4
124.12076	1.2
125.09683	2.0
129.07068	1.3
131.08565	5.6
133.10129	30.1
134.10489	1.2
135.08078	1.1
135.11691	25.6
136.12108	1.5
137.09689	1.5
137.13235	4.5
143.08643	2.6
145.10123	9.7
145.11079	1.1
147.11684	24.1
149.13246	15.6
149.14293	1.2
151.11168	1.8
151.14851	2.0
153.12794	1.2
157.10204	4.0
159.11705	10.2
160.12215	1.5
161.13269	15.2
163.14803	16.7
163.16162	1.0
164.15215	1.3
165.12817	1.2
169.10240	0.9
171.11755	1.5
173.13243	7.2
175.14818	16.7
176.15155	1.5
177.12827	1.8
177.16374	19.5
179.14374	3.6
185.13350	3.2
187.14824	8.4
189.16388	43.1
190.16782	2.9
191.17931	11.8
193.15901	1.0
199.14919	2.0
201.16371	8.4
203.17973	19.3
204.18452	1.5
205.19498	2.3
207.17508	1.7
213.16481	2.8
215.17969	6.2
217.15987	1.0
217.19543	4.5
219.21194	1.0
221.19147	2.0
225.16515	0.9
227.17999	1.7
229.19485	5.8
231.20995	4.8
233.15567	1.1
233.19066	1.3
241.19548	2.5
242.30621	1.0
243.21225	3.9
245.22623	1.8
247.17136	1.2
247.20599	1.2
255.21176	2.3
257.22723	4.1
258.22925	1.2
262.26163	1.1
269.22589	2.1
271.24329	3.7
280.27228	4.4
285.22000	1.0
287.23868	0.9
297.25781	1.0
309.25879	1.1
329.24698	1.1
365.32196	2.8
393.35263	12.0
411.36362	100.0
412.36841	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	412.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.4
55.01861	6.8
57.03444	2.2
60.85667	1.1
65.03926	1.1
67.05511	6.1
69.03426	3.7
69.75784	5.1
70.06580	4.8
71.04991	9.7
73.02926	1.3
79.05486	1.8
81.03429	2.9
81.07059	1.6
83.04962	2.5
85.02896	21.4
91.05431	1.2
95.04965	19.6
97.02878	3.2
98.38882	1.1
99.04382	1.2
103.07579	1.2
109.02868	8.8
110.90515	1.4
111.04446	2.7
111.22389	1.1
112.07575	2.9
121.02856	4.7
123.04422	43.9
124.04740	3.3
127.03848	2.5
129.05502	5.5
130.08643	3.1
136.07642	1.3
137.05989	1.6
139.03900	4.3
140.07059	1.8
141.05484	4.8
145.04971	3.5
147.04413	1.4
147.06540	1.6
151.03899	21.0
151.05042	1.8
155.07069	3.6
163.08736	2.0
169.04900	1.6
177.05476	2.4
183.06522	100.0
184.06882	3.9
201.07594	5.4
203.05182	2.2
215.09155	21.4
216.09506	1.4
217.05057	1.2
219.06538	2.6
233.09616	1.3
249.07555	1.9
251.09065	2.3
395.13782	1.9
412.11624	2.1
412.16681	6.4
412.20761	2.2
413.13971	4.9
413.18054	4.3
413.22787	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	412.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	1.9
55.05506	2.7
57.03434	8.8
66.02180	1.1
69.03423	4.6
69.07061	3.8
70.67782	3.9
71.04994	60.5
71.92220	1.2
71.92665	1.1
73.02922	2.7
75.04469	5.0
76.25409	1.1
81.03435	2.2
81.07047	2.5
83.04974	6.5
85.02905	100.0
85.09766	1.2
86.03226	1.8
86.06821	1.2
87.04476	2.4
91.05529	1.4
95.04977	1.7
97.02892	7.0
99.04431	2.0
101.06032	1.4
107.22133	1.3
109.02888	1.8
111.04448	4.3
127.03908	5.8
129.05479	36.7
129.06461	1.7
137.05951	1.5
145.04953	8.0
146.08142	1.4
147.04411	3.6
147.06506	23.0
153.05464	16.9
163.06136	6.2
163.07272	1.3
164.09174	3.8
179.10718	1.4
191.59993	1.2
195.10165	1.3
212.14563	1.2
215.04707	17.9
215.06639	1.9
215.70778	1.1
233.05682	7.6
251.09166	1.6
255.08578	2.0
309.11826	1.7
401.33456	1.3
412.16406	51.5
412.20343	40.6
413.16745	2.8
413.21411	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	412.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	6.3
55.05518	1.8
57.03439	11.6
59.05003	1.4
61.02932	8.9
69.03429	21.4
69.46144	4.1
69.46550	3.8
70.77283	1.2
71.01361	4.1
71.04991	21.6
73.02915	49.9
75.04474	1.8
81.03426	4.3
81.07076	1.5
83.04990	2.6
83.08666	1.6
85.02903	100.0
87.04488	3.7
91.03972	3.7
95.04935	1.1
97.02893	45.0
98.22578	2.5
99.04462	5.1
103.03973	2.5
104.23428	1.4
109.02899	6.7
111.04458	2.0
114.17506	1.3
115.03918	20.6
123.04430	1.3
127.03902	23.6
127.04767	2.2
129.05479	11.0
133.04956	29.2
135.34007	1.1
137.06000	1.9
145.04951	38.9
147.06482	8.6
163.06023	20.5
177.05482	1.2
199.06097	2.0
223.06062	2.6
241.07149	4.3
259.08145	7.7
263.14896	4.0
277.09091	1.5
295.10376	2.8
335.69153	1.7
412.16440	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95028	3.5
55.01855	6.1
55.05510	4.5
57.03436	27.1
58.14005	3.8
66.67188	3.4
67.05496	5.3
69.03425	81.6
69.47854	9.1
69.48265	16.6
71.04976	7.3
73.02914	13.1
74.07722	3.9
79.05483	4.2
79.70114	3.7
81.03430	6.7
81.07108	4.1
85.02901	98.8
85.03397	6.8
85.06554	16.2
86.09705	5.2
87.04464	50.3
91.04002	4.6
91.05453	5.4
95.04900	4.0
97.02892	74.4
97.06583	4.4
98.22502	4.6
99.04459	4.8
103.50607	4.0
104.10729	6.6
105.07051	6.6
109.02889	5.8
111.04448	5.4
111.08067	5.1
115.03135	3.7
115.03922	71.6
115.04686	6.1
116.04195	4.2
123.76908	3.7
127.03927	13.8
127.07568	14.3
133.04955	100.0
144.54691	4.7
145.04959	31.1
145.10320	4.7
150.07623	14.9
155.07030	8.8
163.06039	13.4
169.05055	5.2
177.05449	11.3
183.06479	4.5
184.07350	9.1
187.05963	5.9
197.11746	5.0
203.60394	4.1
209.11848	4.5
215.09120	29.8
259.08197	9.0
316.05753	3.9
333.06223	4.9
412.19501	12.1
413.17462	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	412.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	23.1
65.14542	10.0
67.05493	14.6
69.07082	19.0
69.18115	100.0
79.05505	16.6
81.07049	49.4
83.04964	11.3
83.08671	10.7
83.39989	10.3
91.05477	16.1
93.07040	19.3
95.05013	14.2
95.08601	46.4
98.22597	27.6
102.25344	10.8
105.07000	25.4
107.08583	23.5
109.10142	13.3
119.08584	26.7
121.10143	17.6
131.08543	13.7
133.10083	17.0
135.11646	19.1
145.10094	14.6
161.09618	12.5
250.51700	11.3
345.28375	11.0
412.20233	45.2
413.15643	29.1
413.25159	46.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54738	1.5
54.18509	1.3
55.05502	6.6
57.07071	31.7
67.05506	12.7
69.07072	7.6
69.26672	4.7
69.27097	6.6
70.02943	1.9
71.08630	41.5
72.04534	3.3
79.05496	3.8
81.07055	27.5
82.07365	1.8
83.08615	4.6
85.02892	1.7
85.06575	1.5
85.10182	20.7
93.07037	3.8
95.08605	33.3
97.10173	2.5
98.22554	2.4
99.08022	1.7
102.05556	3.0
104.07101	100.0
105.07018	3.7
107.08601	3.1
109.10130	3.6
121.10154	1.5
123.11720	2.2
133.10156	2.0
137.13286	5.3
147.11647	1.8
149.13290	1.5
153.05281	1.3
155.14308	29.1
157.10184	1.5
212.20135	2.6
309.27847	37.3
310.28284	2.9
352.32028	17.4
380.31509	4.7
412.17657	2.9
412.32727	2.5
412.37231	2.5
413.33429	1.7
415.43527	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95024	22.2
51.18867	22.2
55.05514	41.9
57.07064	24.6
67.05497	75.5
69.03414	31.0
69.07060	46.4
69.69295	26.8
71.33046	37.9
79.02183	22.6
79.05507	61.6
81.07055	100.0
81.93414	23.9
83.08606	34.7
91.05487	65.2
93.07034	88.5
95.08607	74.3
97.01144	25.2
97.06555	25.0
97.10164	31.8
105.07012	56.5
107.08578	75.7
109.10172	46.8
117.72236	21.4
119.08559	53.4
121.10147	89.0
125.09685	28.2
128.69084	25.7
131.08539	38.2
133.10126	29.2
135.11681	39.1
140.08054	23.4
147.11690	50.9
187.14883	24.6
189.16405	33.0
203.80469	28.9
221.15337	23.2
395.28943	24.0
413.13599	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	413.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03016	0.3
50.16589	0.3
63.30271	0.3
69.68505	1.6
71.04968	0.4
81.13078	0.3
85.02911	0.3
90.99989	0.3
98.23280	0.4
98.53159	0.3
112.01381	0.3
120.08086	0.4
127.03974	0.4
133.44289	0.3
136.19957	0.4
193.12065	0.3
203.05287	1.3
228.64595	0.3
251.13846	0.4
301.08838	0.4
413.14178	100.0
414.14441	8.0
414.19760	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53425	0.6
56.59745	0.6
69.69443	2.9
70.06585	0.7
129.05550	0.6
137.05945	0.7
139.03896	1.2
177.05278	0.7
185.04207	2.0
205.04686	12.6
205.06494	0.8
227.49890	0.5
244.61159	0.5
250.08170	1.5
251.08926	10.3
342.18347	0.5
413.14172	100.0
414.14566	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	413.1414
Annotation	t(6)a
Peak:m/z	Relative Intensity
54.57703	0.4
56.05021	1.0
69.03416	0.5
71.33328	0.7
73.14729	0.4
74.06071	2.0
79.50382	0.4
79.75269	0.4
82.45446	0.4
85.02914	0.6
97.02863	0.6
102.05518	1.3
119.03532	3.1
120.06567	9.8
120.32019	0.4
133.04880	0.5
135.08078	0.5
136.06177	100.0
137.04570	1.9
137.05724	0.8
137.06569	1.2
139.03899	1.1
145.02800	1.0
157.04924	0.5
162.04102	61.9
163.04356	1.4
177.05484	1.8
206.11806	1.0
252.12347	2.5
281.09918	42.1
282.10184	2.9
413.14148	30.0
414.14142	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	413.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79420	0.3
62.80719	0.3
77.56785	0.3
90.29954	0.4
98.05878	0.3
98.22488	0.6
105.24429	0.4
112.98582	0.4
128.93524	0.3
131.35567	0.4
136.06158	0.8
139.03929	1.0
145.02856	0.8
162.04086	0.5
163.03925	0.5
177.05490	0.9
229.05766	0.4
251.09039	0.5
273.12274	0.4
287.05615	0.5
395.07898	0.5
413.14151	100.0
414.14481	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	413.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63257	0.3
52.84907	0.4
56.83333	0.3
57.48114	0.3
59.26002	0.3
71.05357	0.4
71.05676	0.5
78.82491	0.3
83.01078	0.5
92.94742	0.4
95.01088	0.8
106.12611	0.4
109.79222	0.4
112.01329	0.5
113.02119	1.3
136.06142	0.9
162.04192	0.5
176.04469	0.5
177.81667	0.3
185.04248	1.7
189.05826	0.4
196.64378	0.4
203.05312	0.5
213.37416	0.3
251.08861	0.7
259.07883	0.6
281.10187	0.4
284.32990	0.3
402.50803	0.4
413.14160	100.0
414.14435	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	413.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71412	0.5
53.03951	1.1
55.01875	1.2
55.05516	3.8
55.63221	0.5
57.07073	0.7
60.12377	0.5
67.05498	4.6
69.03436	1.3
69.07069	2.9
70.03012	0.5
71.04988	1.4
72.76740	0.5
79.05497	4.7
81.03423	1.6
81.07059	8.2
83.04967	1.5
83.08634	1.6
85.02923	1.0
85.06538	1.5
86.06037	0.8
91.05474	4.9
93.07050	7.1
95.04970	1.5
95.08609	8.7
97.02898	0.8
97.06521	1.4
97.10168	1.0
98.23543	0.5
99.04423	1.0
105.07027	6.9
107.04966	1.1
107.08595	6.8
109.02912	1.1
109.06548	1.7
109.10168	5.4
111.04493	0.7
111.08093	1.2
117.07057	1.2
119.08596	5.5
121.06524	0.9
121.10146	5.9
123.08096	1.5
123.11702	2.6
125.09669	0.7
129.07030	1.2
131.08566	3.7
133.06511	0.6
133.10133	5.0
135.08073	0.9
135.11696	4.9
137.05969	1.0
137.09654	0.8
137.13295	0.7
139.07556	0.7
139.11118	0.6
141.07018	0.6
143.08574	2.0
145.10129	5.5
147.08084	1.0
147.11684	5.5
149.09618	1.1
149.13275	2.1
151.03960	1.6
151.07603	0.9
151.11252	0.8
155.08536	0.7
157.10144	1.9
159.08116	0.7
159.11653	4.7
161.09627	1.0
161.13232	2.5
163.07536	0.9
163.11241	0.8
163.14833	1.5
169.10135	1.3
171.11699	2.3
173.09595	1.1
173.13277	1.7
175.11212	1.4
175.14877	1.6
176.04393	0.6
177.12772	1.3
177.16429	1.5
179.10744	0.6
183.11673	1.2
185.11804	0.5
185.13362	1.7
187.07399	0.6
187.11217	1.0
187.14888	1.8
189.09172	0.8
189.12772	0.8
189.16434	1.4
191.10767	0.6
191.14340	0.8
191.17946	0.9
193.12273	1.0
195.13867	0.9
197.13330	1.0
199.14825	1.1
201.05231	4.7
201.09145	0.8
201.16455	1.9
203.18016	1.1
205.12202	0.8
205.15813	0.9
207.13901	0.8
211.14973	0.6
213.12791	0.7
213.16429	0.7
215.14218	0.7
216.07574	36.5
217.08162	2.8
217.15977	0.6
219.06285	0.7
227.18018	0.9
229.08426	0.7
229.12170	0.7
241.19421	0.6
245.15463	0.7
245.18991	0.9
329.14011	0.6
365.13699	1.0
395.25302	0.8
395.29440	1.2
395.33646	0.8
413.15720	100.0
413.31244	3.2
414.16003	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	413.157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.9
57.03420	0.4
67.05513	1.9
69.03408	0.6
69.07049	1.3
71.04977	0.5
71.31876	0.5
79.05482	1.7
81.03412	0.8
81.07059	3.0
82.07375	0.5
83.04974	1.0
83.08582	0.8
91.05489	1.8
93.07053	2.3
95.04956	0.5
95.08605	2.8
97.06500	0.4
97.10128	0.5
105.07047	2.8
107.08611	3.0
108.08955	0.4
109.02805	0.4
109.10175	1.2
111.08078	0.6
117.07063	0.5
119.08572	2.2
121.10124	2.1
122.10479	0.5
123.08082	0.8
123.11694	0.7
124.91860	0.4
129.07030	0.6
131.08557	1.7
133.10165	1.3
134.10472	0.5
135.11693	1.5
143.08516	0.5
145.10138	1.7
146.32899	0.4
147.08040	0.4
147.11668	0.9
149.13275	0.9
151.07520	0.4
157.10085	1.0
159.08075	0.5
159.11679	1.4
161.09590	0.5
161.13231	0.9
164.08331	0.7
166.08823	0.4
171.11687	0.7
173.13266	0.5
175.11174	0.8
175.14804	0.7
176.04436	1.1
179.10669	0.5
183.11769	0.6
185.13225	0.8
189.05183	1.0
191.10593	0.5
201.05206	5.7
203.10681	1.4
216.07570	41.2
217.08125	3.5
219.06201	0.9
221.15054	0.4
229.08391	0.6
291.19949	0.5
365.13745	0.9
398.13928	0.5
413.15677	100.0
414.16071	7.1
429.20932	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.157
Annotation	Unknow
Peak:m/z	Relative Intensity
69.20881	2.5
69.21301	4.2
75.09803	0.7
79.05505	1.3
81.07047	1.2
93.06995	0.7
95.08629	0.7
100.11253	0.8
105.06998	0.9
109.10188	1.1
123.04436	1.3
137.05977	2.2
145.10066	1.4
180.17001	0.9
201.09169	0.8
218.07152	0.9
247.07637	1.0
261.09235	1.3
278.09348	1.9
287.09335	1.4
292.10910	0.9
293.11685	1.3
308.47037	0.7
321.11121	1.2
321.29559	0.7
323.09387	1.6
338.11789	1.3
353.13812	8.3
354.14151	1.1
383.14612	5.3
395.14679	3.3
413.15707	100.0
413.24985	2.6
414.15967	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	413.2146
Annotation	Glu Lys His
Peak:m/z	Relative Intensity
55.01880	0.2
55.05515	0.3
55.99931	0.2
64.44108	0.3
67.05507	0.7
69.02191	2.4
69.02597	0.8
69.03414	0.9
69.07067	0.7
71.04985	0.3
78.12827	0.3
79.05486	0.8
81.03407	0.7
81.07047	0.8
83.04984	0.9
85.02915	0.6
85.06528	0.4
91.05477	0.7
93.07032	1.0
95.04968	0.9
95.08584	0.4
95.25709	0.3
97.02879	0.5
97.06533	0.8
98.22549	0.6
99.04462	0.3
105.07010	1.7
107.04971	0.4
107.08618	1.0
108.69282	0.3
109.02886	0.5
109.06487	0.4
117.07034	0.4
119.08611	0.8
121.06507	0.5
121.10084	0.3
125.05973	1.2
127.03905	0.3
129.06987	0.4
131.08527	0.3
133.10107	0.3
135.08063	0.4
135.11636	0.3
137.05959	0.4
143.07011	0.4
143.08603	0.4
145.10114	2.3
148.06250	0.3
151.07521	0.5
151.94891	0.3
159.11710	0.5
163.11166	0.7
173.09647	1.2
177.05428	0.4
187.11200	1.1
191.10748	0.5
203.05255	3.4
205.12256	0.5
215.10641	0.9
233.11786	0.4
233.15150	3.1
251.12938	0.5
251.16238	2.1
280.61249	0.3
369.18924	1.9
372.39206	0.3
383.20435	1.1
413.21436	100.0
414.21805	9.0
416.85910	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.2
54.37065	0.2
55.01865	0.3
55.05512	0.5
57.03417	0.3
62.28555	0.2
67.05499	0.4
69.03432	0.7
69.34493	1.2
69.34909	0.4
71.93472	0.2
73.99780	0.2
74.79368	0.2
79.05511	0.6
81.03420	0.9
81.07060	0.6
83.04986	0.8
85.02905	0.7
91.05511	0.5
93.07048	0.5
95.04986	0.6
95.08596	0.5
97.02885	0.4
97.06539	0.5
99.04450	0.2
100.11258	0.3
105.07038	0.8
107.08553	0.4
109.02884	0.4
109.06500	0.3
115.05392	0.3
117.03383	0.3
117.07019	0.3
119.08614	0.7
121.10153	0.3
123.08129	0.3
125.05982	0.3
127.03927	0.2
129.07048	0.2
131.08548	0.5
133.10101	0.3
137.05980	0.6
145.02885	1.2
145.10161	0.8
147.06615	0.3
147.07967	0.3
149.06003	0.4
151.07573	0.4
159.11667	0.5
163.11174	0.4
164.99602	0.2
173.09645	0.5
177.05466	1.6
180.18996	0.2
187.11180	0.5
203.05261	2.2
215.10643	0.6
219.06555	0.4
233.15155	3.2
246.06628	0.2
251.09200	0.5
251.13435	0.4
251.16234	4.9
272.16522	0.2
323.09186	0.3
353.13776	1.1
354.14032	0.2
369.18896	3.7
370.18997	0.3
413.21463	100.0
414.21802	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	413.3049
Annotation	Delta(1,7)-dafachronic acid
Peak:m/z	Relative Intensity
55.05507	6.8
57.03425	1.3
57.07077	5.7
62.39454	0.9
65.03895	1.3
65.17664	1.0
66.17976	0.9
67.05499	10.4
69.03407	2.3
69.07063	7.5
71.04980	1.1
71.08636	2.3
71.31812	1.2
79.05479	6.7
81.03413	2.4
81.07056	19.5
82.03678	1.0
82.07376	1.8
83.04960	1.1
83.08622	4.9
85.10182	1.1
91.05477	5.5
93.07042	10.3
95.04953	1.4
95.08609	26.4
96.08948	1.3
97.10165	2.8
105.07014	10.6
107.04918	1.8
107.08601	19.7
109.06532	2.3
109.10151	10.3
111.08092	1.6
111.11714	1.1
117.07006	2.0
119.08575	13.7
121.06466	5.4
121.10142	14.1
123.08054	2.4
123.11717	4.8
125.09664	1.3
127.11183	1.1
129.07005	1.3
130.15576	1.1
131.08559	4.3
133.06416	0.9
133.10152	6.1
135.08031	5.4
135.11720	5.1
135.95543	1.0
137.13257	12.4
139.11269	1.2
143.08563	2.0
145.10149	5.7
147.08072	1.5
147.11711	5.3
148.08829	1.0
149.09621	2.2
149.13260	7.8
151.11182	1.3
151.14848	1.8
155.08485	1.4
157.10147	2.7
159.08092	1.2
159.11684	4.9
161.13239	3.6
163.11227	1.5
163.14839	2.8
169.10178	1.2
171.11624	2.2
173.09578	1.9
173.13269	4.5
175.11188	1.9
175.14801	9.9
177.12744	19.6
177.16388	1.9
178.13136	1.1
179.14267	1.5
183.11671	1.8
185.13293	1.9
187.11185	2.9
187.14766	2.9
189.12842	1.5
189.16397	7.3
191.18059	1.8
197.13289	1.8
199.14835	3.6
201.16397	2.7
203.17934	1.2
209.13274	1.9
213.12759	4.4
215.14209	3.3
217.15913	2.9
223.14809	1.4
227.17937	1.6
235.16969	1.5
253.19633	1.1
271.20578	1.4
279.20993	1.5
293.22687	1.7
297.22256	3.3
306.12714	1.3
309.22079	2.9
310.22348	1.4
311.23657	2.2
312.65054	1.0
324.24564	2.1
349.14377	1.7
349.28870	2.1
353.98865	1.0
355.22662	1.5
362.11166	1.4
367.29959	22.0
368.30301	2.7
370.25174	3.1
371.25320	1.1
377.13864	3.8
395.14883	2.4
395.29398	4.9
395.33911	1.3
413.16122	6.6
413.30438	100.0
414.30725	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	413.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	4.0
55.01866	3.5
55.05507	82.2
57.03425	7.7
57.07065	12.4
65.03933	3.1
67.05496	81.3
67.08645	2.8
69.03413	4.6
69.07064	64.4
69.24540	3.2
69.28026	24.2
69.82757	3.2
71.04999	6.6
71.08616	4.5
79.05492	49.5
81.07049	100.0
83.04967	9.5
83.08613	55.9
85.06520	8.4
91.05478	25.5
93.07034	47.7
95.04916	5.7
95.08009	6.5
95.08596	90.6
96.08904	3.9
97.06507	16.2
97.10159	77.3
98.22613	7.3
99.08098	8.4
105.07018	35.2
107.08586	56.6
109.06524	7.1
109.10152	47.1
111.08076	14.4
111.11707	13.8
117.07005	7.0
119.08585	40.8
121.06505	4.5
121.10137	50.6
123.08067	8.6
123.11739	18.2
125.09628	54.6
129.06992	5.0
131.08565	12.7
133.10123	36.4
135.11697	40.3
137.09593	9.2
137.13248	9.6
139.11177	4.2
143.08536	7.0
143.10674	23.8
145.10121	13.1
147.11662	26.4
148.12042	4.5
149.09671	3.4
149.13260	9.4
151.11153	10.4
151.14899	4.0
153.12761	8.5
157.10049	4.9
159.11716	9.7
161.13274	19.6
163.14862	4.6
165.12744	7.4
171.11717	5.0
173.13228	9.4
175.14816	10.3
179.14369	5.5
187.14813	8.2
189.16412	8.1
191.14192	3.5
193.19478	5.6
199.14896	3.9
215.17946	3.1
217.19518	32.3
225.16437	4.4
233.19069	4.6
235.20538	36.1
253.21597	14.2
341.28564	3.1
359.29388	15.7
377.30594	25.7
378.30902	6.0
395.29532	6.9
413.15732	10.4
413.26346	9.1
413.30917	30.5
414.30942	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	413.3412
Annotation	10Z,13Z,16Z,19Z,22Z,25Z-octacosahexaenoic acid
Peak:m/z	Relative Intensity
51.66591	2.5
53.03942	3.7
55.05502	16.7
57.03428	3.8
57.07069	3.8
67.05505	35.9
67.29329	2.2
69.03431	2.4
69.07061	20.7
71.08637	2.5
77.03888	3.2
79.05489	33.2
81.07054	100.0
82.07394	4.1
83.08608	16.3
85.06548	3.0
91.05470	31.4
93.07048	59.8
94.07420	2.6
95.04951	2.9
95.08601	90.7
96.08916	2.5
97.06541	6.1
97.10184	8.5
99.08108	4.0
103.05560	2.9
105.07020	67.8
107.04940	2.3
107.08583	70.8
109.06517	5.9
109.10157	54.6
111.08080	9.5
113.06002	3.4
117.07018	6.8
119.08579	66.9
121.06499	4.5
121.10146	49.1
122.10434	3.2
123.08040	4.0
123.11735	16.1
128.06210	2.6
129.07010	5.0
131.08559	23.4
131.89423	2.4
133.06551	2.7
133.10126	52.8
134.10498	3.2
135.08040	5.8
135.11688	37.6
137.09616	4.7
137.13261	4.9
139.07559	2.8
139.11212	3.6
143.08609	12.2
145.10121	34.8
146.10599	2.8
147.11673	34.8
149.09657	4.5
149.13251	31.0
151.11148	5.2
151.14758	2.3
156.09280	3.4
157.10123	17.9
159.11685	29.0
161.09651	4.2
161.13249	33.8
163.11116	5.7
163.14806	34.6
164.04741	2.9
164.15221	3.5
165.12801	3.5
169.10138	5.6
171.11703	15.9
173.13268	31.4
174.13573	3.2
175.07610	3.0
175.11198	6.8
175.14807	64.7
176.15125	4.8
177.12811	8.7
177.16397	15.4
179.14314	5.1
183.11725	6.7
185.13214	13.3
187.14836	19.6
189.12836	5.7
189.16385	75.5
191.14302	7.7
191.17952	8.4
195.13765	4.1
197.13242	3.7
199.14790	12.8
199.38138	2.4
201.16335	13.8
203.14323	3.6
203.17958	9.4
205.15915	7.8
207.17422	5.6
211.14909	3.5
213.16397	19.4
215.18015	6.6
217.15877	10.7
217.19539	8.3
219.17363	4.9
225.16354	3.7
227.17938	9.3
229.15907	2.9
229.19403	4.6
231.17406	18.2
235.78859	2.5
239.17798	3.6
241.19485	5.9
243.21080	6.8
245.19026	16.8
249.18575	5.9
253.19617	3.3
255.21024	3.2
257.18991	3.1
257.22653	3.8
259.20712	4.8
263.20053	5.0
273.22229	2.8
277.21735	3.2
285.22220	2.6
289.21735	2.6
309.25763	2.4
337.28787	10.6
357.23309	2.7
367.29672	3.3
377.27094	3.3
377.31955	8.7
395.33249	42.7
396.33298	5.9
413.15723	3.4
413.22235	3.2
413.26563	8.4
413.34528	53.9
414.34686	7.1
416.18845	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	413.3412
Annotation	10Z,13Z,16Z,19Z,22Z,25Z-octacosahexaenoic acid
Peak:m/z	Relative Intensity
53.03939	5.5
53.80249	3.9
54.84312	3.8
55.01852	4.2
55.05510	40.5
57.07069	11.5
59.42622	4.4
61.37087	4.8
65.74022	3.8
67.05499	54.2
69.03402	5.6
69.07066	59.5
70.49851	6.6
70.50190	6.0
71.04980	8.5
71.08651	4.1
79.05496	32.0
81.07057	96.2
83.04977	5.2
83.08630	30.6
85.06550	21.6
87.58745	4.2
91.04974	5.9
91.05446	29.9
93.07043	61.6
94.07356	5.5
95.04967	5.9
95.08602	100.0
97.06523	11.5
97.10155	23.8
98.23220	5.5
99.08112	5.5
105.07021	52.2
107.08591	69.5
108.08903	6.1
109.10148	60.8
111.08089	10.8
111.11693	10.5
117.07040	8.0
118.77571	4.1
119.08584	70.8
121.06548	4.6
121.10138	59.2
123.08033	9.7
123.11714	25.5
125.09566	8.9
131.08598	23.6
133.10136	55.3
134.10437	4.8
135.11690	62.7
137.09581	10.0
137.13261	9.6
139.11115	4.8
143.08560	8.2
145.10117	33.1
147.07841	4.1
147.11665	51.2
149.13235	25.0
151.11203	8.8
151.14920	4.0
157.10109	12.9
159.11679	27.9
161.13234	50.3
163.11041	4.7
163.14810	20.4
165.12750	6.9
169.10049	4.4
171.11638	16.7
173.13251	30.6
175.14813	13.9
177.12741	15.0
177.16357	11.9
179.14297	18.9
185.13239	15.6
187.14789	18.7
189.12793	5.9
189.16376	18.1
191.14297	5.1
191.17926	16.8
197.13254	7.2
199.14777	9.0
201.16431	7.7
203.14320	8.4
203.17966	11.7
205.15813	6.1
213.16499	5.5
215.17984	5.9
217.19548	17.0
229.19603	6.0
231.21080	5.6
235.20537	13.7
239.17900	4.8
241.19479	5.6
245.19087	5.4
251.20055	4.3
253.21591	9.3
369.20096	5.0
377.31982	10.2
382.59735	4.7
395.33255	35.8
403.86264	4.4
413.29694	6.1
413.34738	23.6
414.35065	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	413.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.6
55.05507	52.2
57.03441	22.7
57.07075	54.1
59.04989	3.7
63.36886	2.3
64.88039	2.3
67.05504	26.2
68.46401	2.5
69.07066	70.3
69.25843	4.5
69.26247	15.1
71.04982	3.6
71.08627	40.8
75.04487	2.6
79.05482	10.9
81.07053	36.0
83.04979	4.3
83.08611	50.2
84.08932	2.8
85.06520	3.6
85.10182	22.2
85.21482	2.3
91.05455	4.1
93.07037	15.5
95.08600	44.0
97.06538	8.8
97.10166	32.1
99.08089	3.8
101.06023	2.6
105.07054	4.0
107.08598	18.3
108.39992	2.1
109.10147	18.6
111.08112	7.2
111.11691	12.4
113.06171	2.1
115.07589	5.0
119.08587	3.4
121.10142	17.6
123.11705	12.8
125.09653	10.0
125.13231	2.7
129.09119	2.5
133.10088	3.0
135.11685	18.8
139.11168	9.1
149.13245	9.4
153.12724	5.0
163.14839	9.2
167.14359	7.4
171.13722	2.7
177.16356	6.9
181.15945	3.6
191.17926	2.5
205.19498	3.5
233.22693	2.6
303.30493	8.5
321.31384	19.6
395.35245	15.0
413.13000	2.3
413.30939	4.4
413.36258	100.0
414.36578	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	413.3777
Annotation	Adiantone
Peak:m/z	Relative Intensity
55.05508	6.3
56.77446	2.0
57.07077	7.1
67.05495	4.9
69.07058	9.8
69.59386	12.2
71.08627	5.0
71.41738	2.1
71.75860	2.2
79.05486	14.3
80.37627	1.9
81.07048	20.4
83.04967	8.3
83.08616	3.6
85.10172	3.0
91.05488	2.6
93.07025	7.8
95.08622	11.4
97.06527	90.1
97.10158	5.2
104.07086	3.0
105.07027	4.6
107.08625	4.9
109.06519	100.0
109.10162	6.7
110.06827	3.6
111.11681	2.6
116.14224	2.0
119.08537	4.7
121.10169	3.1
123.08058	15.1
123.11681	4.1
131.08604	2.3
135.11674	2.6
145.10059	3.4
147.11627	3.9
149.13303	2.5
159.11659	3.2
173.13249	2.6
212.71609	2.5
255.69684	2.5
389.40204	2.5
395.36688	5.3
413.32419	4.0
413.37744	58.6
414.38092	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13245	0.6
54.36522	0.6
55.01869	0.8
55.05487	0.7
56.05035	4.1
57.03437	0.9
59.85308	0.6
61.02921	1.8
61.35651	0.6
61.78127	0.6
62.56351	0.6
63.22761	0.6
68.38198	0.6
69.03425	5.4
69.73889	0.7
70.06580	1.3
71.32411	0.8
74.02439	3.8
81.03415	2.1
81.07039	0.8
82.06577	2.9
85.02900	9.6
87.04482	0.9
97.02914	4.1
99.04480	0.7
109.02877	2.0
109.06533	1.4
111.04434	0.8
116.98650	1.1
117.07021	0.9
121.02845	1.2
121.06519	1.3
123.04416	1.7
124.07577	7.8
127.03922	2.1
128.07069	2.3
135.08044	2.7
137.05972	26.8
139.03873	3.1
145.04930	1.6
145.06548	1.0
145.10089	1.8
147.08002	1.2
149.05940	1.7
151.07579	0.8
155.08553	1.2
158.07277	1.9
161.05968	1.1
161.09564	1.6
163.07547	15.1
164.10713	1.5
173.09610	6.9
179.10695	1.3
188.10654	1.0
189.09108	4.8
190.12296	3.1
191.10677	2.9
206.11760	25.4
207.12097	1.2
208.13455	0.7
234.11137	1.0
235.09647	1.6
252.12312	100.0
253.12679	6.7
261.07458	0.9
289.06741	1.4
414.11664	1.1
414.17596	15.5
415.15317	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	2.6
55.01873	6.5
55.05512	6.1
58.99593	3.3
61.92477	1.1
65.03958	1.9
67.05508	23.7
69.03442	2.2
69.07069	100.0
70.07389	3.0
71.32588	1.7
76.02219	10.3
79.05494	23.6
81.03428	2.8
81.07059	30.4
82.07418	2.7
83.04990	5.5
83.08637	8.5
84.04500	2.3
85.02891	2.2
85.06564	2.3
86.99067	2.5
91.05474	19.4
93.07045	21.7
93.72189	1.1
95.04978	5.0
95.08609	26.5
97.06529	14.0
97.10175	2.9
97.82010	1.1
99.08115	2.0
103.05492	1.6
105.00116	3.8
105.07039	19.6
107.04951	3.7
107.08595	9.4
109.06535	3.9
109.10154	6.1
111.08098	3.4
113.09655	2.6
117.07036	3.8
119.08586	15.0
121.06517	3.8
121.10135	5.8
122.02732	34.8
123.08078	3.5
123.11742	2.0
125.09663	2.2
130.05005	1.5
131.08551	5.7
133.06537	1.8
133.10126	18.0
135.08072	2.8
135.11674	6.4
137.06013	2.5
137.09630	2.7
140.44571	1.0
143.08586	1.6
145.10135	7.2
147.11687	4.7
149.09619	19.3
149.13237	2.1
151.07599	1.4
151.11229	2.9
157.10149	2.2
159.11662	6.9
161.09637	1.9
161.13252	18.0
162.13597	2.1
163.11165	7.3
165.05588	1.5
165.09106	2.3
167.07066	2.9
169.10176	2.5
171.11694	1.9
173.09700	2.4
173.13240	3.1
175.11229	1.6
177.12753	2.6
179.14316	15.4
187.11206	3.0
197.13113	1.1
203.07039	1.2
205.12238	1.5
215.18016	1.2
218.08624	2.0
219.06090	1.1
220.07095	3.2
223.13358	1.8
229.19643	1.6
239.17903	2.8
241.14352	1.8
247.20618	2.4
257.19000	5.5
275.20062	49.8
276.20377	3.5
281.58276	1.2
293.21155	10.7
294.21524	1.4
302.14236	4.6
414.16400	1.8
414.22440	1.7
415.17432	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	414.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.6
55.05514	1.9
57.03437	27.1
57.07069	8.4
59.05009	2.4
61.02919	8.0
68.30441	1.6
69.03430	51.9
69.84383	8.5
71.01340	1.7
71.04987	3.0
73.02922	34.3
78.06194	1.6
81.03427	6.4
85.02910	100.0
87.04474	22.2
91.03966	4.6
91.05526	2.0
93.07053	2.1
97.02894	52.0
98.23342	1.6
99.04463	6.8
103.03964	3.8
103.48241	1.6
109.02876	9.8
115.03935	46.4
117.83543	1.8
123.04451	2.5
125.06054	1.8
127.03912	22.6
127.07572	3.3
133.03986	2.0
133.04979	42.0
137.05931	2.5
145.04956	42.7
150.07544	3.3
151.03937	4.2
153.01826	3.5
163.03938	3.8
163.06042	20.9
165.01825	3.2
177.01729	2.0
193.04935	5.4
195.02911	8.4
205.04955	3.6
219.02904	6.6
220.41022	1.6
223.06076	3.0
241.07053	2.8
247.09694	2.8
261.04343	1.9
277.11035	4.5
277.17825	2.2
297.05936	2.3
311.13351	1.9
319.11740	2.7
322.11533	2.1
354.14182	6.7
361.12900	2.7
373.77823	1.7
377.01709	2.3
414.21835	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	414.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	3.0
57.03439	12.6
65.03985	2.0
69.03419	4.7
69.78278	6.4
71.04995	65.4
72.08154	3.0
73.02909	2.0
73.06556	2.2
75.04477	4.3
81.03419	4.3
81.07046	2.3
83.04989	10.0
84.95943	1.6
85.02905	100.0
86.03200	1.8
86.09731	2.2
87.04453	2.9
89.06039	10.5
95.05012	2.1
97.02889	6.2
97.06536	2.0
98.23261	2.3
103.03938	2.2
107.04980	1.7
107.08590	1.9
109.02885	2.5
111.04427	8.3
114.09167	6.5
121.02829	11.0
123.04429	2.6
127.03924	5.5
129.05490	35.7
132.10201	14.8
133.08554	3.4
137.05959	3.2
145.04996	8.2
147.06516	19.7
163.05956	3.5
164.09171	4.2
167.07014	2.5
282.31253	2.3
343.08066	1.8
414.17700	13.1
415.10309	2.4
415.19586	40.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.4
55.01860	1.4
55.05500	3.3
57.03437	8.7
60.36234	1.1
63.07828	1.1
63.46547	1.2
67.05505	1.8
69.03427	3.2
69.56214	6.9
71.04995	65.5
72.05340	1.3
73.02916	3.3
73.65826	1.2
75.04473	5.2
79.05470	1.6
81.03415	2.0
81.07068	2.4
83.04988	7.8
85.02905	100.0
87.04478	3.6
91.05481	1.3
92.86527	1.1
93.07065	2.6
97.02895	5.9
98.23311	1.6
99.04432	1.5
103.03940	1.7
105.07037	1.5
107.08611	1.5
109.02900	2.1
109.06489	1.1
111.04425	6.3
127.03938	7.5
129.05481	41.3
130.05823	1.4
133.04979	1.9
133.10260	1.4
145.04974	8.7
145.10159	1.4
147.06523	21.2
163.06032	3.9
164.09200	4.5
167.41360	1.3
171.06337	1.2
245.53862	1.4
255.08553	2.4
309.11731	1.4
414.17813	6.2
415.19662	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	414.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	9.4
57.03440	13.0
59.05004	2.4
61.02933	12.9
62.32747	1.6
69.03430	38.3
69.07063	2.7
69.20187	4.7
69.20610	9.1
71.01366	3.6
71.04996	6.3
73.02505	2.6
73.02920	62.3
81.03407	9.5
81.07061	5.4
83.05016	4.1
85.02906	100.0
85.06540	1.8
85.10189	2.5
86.03252	1.9
87.04472	3.8
91.03953	3.3
91.05491	3.2
93.07054	4.1
95.04972	3.9
97.02895	61.4
99.04455	8.2
103.03938	4.5
105.07028	4.9
107.04986	2.8
107.08625	2.7
109.02892	11.0
109.06483	1.9
110.13028	2.0
111.08055	2.2
115.03935	27.2
117.07033	2.1
121.06468	4.3
121.10155	1.8
121.18361	1.8
125.06049	2.1
127.03922	29.9
133.04973	36.3
137.05954	2.1
143.07077	1.7
144.83070	2.0
145.04953	50.3
146.05263	2.6
147.11708	2.7
150.07677	2.5
163.06035	27.4
167.06944	1.9
192.72772	1.8
193.12364	2.7
211.13219	2.2
217.06900	1.8
217.12297	2.4
223.06093	3.8
235.13257	2.3
241.07109	5.6
253.14433	3.0
259.08167	6.7
265.16373	2.6
295.10181	2.5
363.58722	1.9
374.49176	1.9
385.59122	1.9
415.19595	3.4
423.93851	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40958	1.3
55.01863	4.0
55.05528	2.3
57.03432	27.7
57.07071	10.3
59.04990	2.7
61.02916	10.6
68.99768	2.5
69.03424	54.9
70.15403	5.4
71.01347	2.4
71.04993	2.0
71.79893	1.3
73.02912	36.4
77.67104	1.2
79.05490	3.1
81.03408	6.4
81.07042	2.8
83.04966	2.4
85.02900	100.0
85.06555	3.0
87.04467	20.3
91.03949	5.0
91.05441	2.4
91.67543	1.4
93.07030	2.8
97.02250	3.3
97.02888	59.1
97.06491	2.2
99.04434	4.0
100.07630	2.0
103.03891	2.2
105.07013	2.1
107.04923	1.8
107.08583	2.2
109.02887	7.2
109.06532	2.1
111.08146	1.8
115.03927	51.2
120.60208	1.4
121.02819	1.4
123.04431	3.9
127.03923	25.4
127.07570	1.8
131.73897	1.4
133.04958	49.2
137.05969	5.7
139.03960	1.6
145.04944	52.5
145.10091	1.7
150.07634	5.8
151.03911	6.3
153.01825	2.5
163.03905	2.7
163.06023	23.5
165.01881	3.5
167.07076	1.5
177.01909	2.8
177.05391	1.9
181.05035	1.9
191.03381	2.3
193.04932	4.8
195.02879	9.5
205.04935	4.4
219.02882	4.0
223.05968	3.7
241.06993	3.1
247.09698	3.8
251.09192	2.5
261.03903	2.7
277.10590	5.8
277.17578	1.5
284.94885	1.3
291.20300	1.5
295.11536	1.7
297.05930	2.0
301.10587	2.3
308.10040	1.9
315.40378	1.5
319.11765	3.4
322.11667	2.1
331.11765	1.7
343.45892	1.3
353.13736	2.1
354.14099	11.4
361.12845	1.7
414.21918	33.9
415.23001	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	414.358
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87630	2.8
55.05513	21.5
57.07075	18.5
58.06602	4.0
67.05498	8.2
69.07078	34.1
69.20528	27.6
70.06597	6.3
71.08632	14.3
79.05458	4.1
79.69933	3.2
81.07047	12.3
83.08633	25.7
85.10184	4.8
85.49196	2.9
91.05489	5.4
93.07016	9.4
95.08617	6.7
97.10172	24.1
100.45838	3.5
102.05557	9.1
104.07107	100.0
107.08601	5.2
109.10176	4.7
111.08041	4.0
111.11716	10.9
119.08576	14.1
121.10161	5.7
121.12498	3.3
133.10136	3.8
163.14793	7.7
164.15175	3.8
172.11649	4.4
206.33299	4.0
251.16562	3.9
252.16725	4.3
262.57251	3.3
293.28418	7.9
301.10989	4.1
396.34546	14.3
414.30045	18.3
415.20840	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	414.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.5
53.82724	0.6
55.05507	20.0
57.07074	14.1
58.06598	1.9
61.89801	0.5
62.52526	0.5
67.05501	2.9
69.07065	32.4
70.35638	0.6
70.53904	0.5
71.08628	9.3
74.10207	0.6
81.07036	4.1
83.08618	24.9
85.10188	4.6
91.41117	0.5
93.07043	1.1
95.08601	4.3
97.10165	23.2
98.10492	1.1
98.23323	1.6
102.04900	1.2
102.05538	14.2
104.07100	100.0
105.07442	1.7
107.08595	1.3
109.10155	1.9
111.11726	9.6
121.10158	1.3
123.11806	0.6
124.65628	0.6
125.13264	3.7
127.14812	0.5
135.11708	1.1
139.14851	1.0
153.16422	0.9
156.18077	0.5
163.14781	0.6
166.40572	0.6
168.26964	0.5
177.16220	0.6
192.52298	0.5
204.87367	0.5
209.19086	0.9
223.20715	0.6
243.60640	0.5
275.27377	2.3
293.28387	8.5
328.07568	0.6
336.32535	0.9
374.61520	0.5
396.34769	9.5
397.35095	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	1.0
63.19466	0.7
65.03932	3.1
67.01847	0.7
67.05502	1.0
68.99778	1.6
69.03406	0.8
71.31841	1.1
81.03411	1.2
83.04965	0.9
89.40196	0.6
93.03393	1.6
93.07104	0.6
95.04970	3.0
95.59486	0.6
97.02903	0.9
99.04445	0.7
107.04918	0.7
109.02881	1.6
111.04462	4.9
114.77029	0.8
121.02847	5.2
123.04424	73.7
124.01581	1.1
124.04786	1.7
125.05979	0.9
127.03894	1.4
133.02835	1.3
137.02357	1.1
137.05954	2.4
139.03891	100.0
140.04228	2.6
141.05450	3.5
145.06473	1.8
147.04378	0.7
149.02306	6.1
151.03908	3.5
152.01039	1.4
153.01785	1.9
153.05408	1.0
159.08061	0.7
163.03902	1.9
164.04675	9.0
165.05357	1.0
166.02608	1.1
167.03391	28.1
167.04823	1.4
170.02087	1.2
171.04373	0.9
172.05005	0.7
173.05960	1.8
175.07462	0.7
177.01819	2.0
177.05482	0.7
179.03371	14.3
179.04793	1.3
179.07024	0.9
181.04935	0.9
183.04396	1.9
184.05174	0.8
187.07512	1.6
193.04958	2.5
195.02831	4.5
197.05960	1.0
199.03899	1.1
200.04675	1.8
201.05460	2.3
202.33733	0.8
214.06184	1.2
215.06937	3.4
217.04939	1.8
218.99631	3.8
227.06918	0.7
228.04221	2.8
229.04984	11.0
229.07178	1.4
231.06467	0.9
233.08076	1.0
242.05704	6.2
243.06517	10.7
244.06747	0.8
245.04460	2.4
253.04846	0.9
257.04367	2.1
258.05249	2.4
259.06021	3.2
260.06784	3.2
261.07578	42.1
262.07947	2.6
271.05939	6.3
273.04001	4.0
274.04715	11.0
275.05258	1.8
287.05383	1.2
288.06277	15.0
289.07043	68.3
290.07419	3.6
316.10361	0.7
317.06528	15.5
318.07053	1.7
335.07611	14.6
336.07928	1.0
341.03317	4.8
354.00342	4.0
369.02725	29.3
370.02991	2.7
390.89868	0.7
397.02213	11.3
398.02554	0.8
415.03308	10.4
415.09229	1.2
415.10236	1.0
415.15594	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96284	2.8
56.96563	51.7
59.05013	1.6
66.94177	1.1
69.02209	1.3
69.03423	2.7
69.16596	7.3
69.16998	2.8
71.04972	1.3
71.95267	2.3
81.03442	1.2
81.10757	1.2
83.04942	1.5
84.96030	18.9
85.02905	7.4
88.19499	1.2
89.06035	4.2
97.02917	3.4
98.97579	95.9
101.00865	3.0
101.06020	2.2
102.97144	1.7
109.02888	2.8
110.97560	20.8
112.99149	5.0
116.98623	47.1
119.01920	6.3
122.07169	1.4
124.99106	2.7
126.97040	1.7
127.03880	1.4
128.98604	21.0
131.00177	6.4
131.01903	2.6
134.97537	4.4
134.99663	11.7
135.00618	1.7
136.06139	1.7
140.00197	1.3
140.98605	3.5
143.00171	13.0
143.01903	3.5
144.98082	4.0
145.03435	1.8
145.04955	1.5
146.99670	10.2
149.01242	2.1
152.98621	12.0
153.01839	4.9
153.05495	1.8
155.01886	2.5
158.99641	9.0
161.01236	20.8
161.02974	9.2
162.97064	2.7
162.99117	3.2
167.00139	5.8
170.99648	14.5
173.01346	1.5
173.02980	5.3
177.00706	10.3
179.02296	5.2
180.98105	3.4
184.00583	1.9
185.01242	11.5
185.02882	1.9
189.00732	7.1
192.98093	3.6
193.01825	1.1
194.99677	5.7
195.01567	1.7
197.02962	2.0
198.99146	4.9
201.00670	7.8
203.00714	1.1
203.02296	7.3
203.03979	2.4
207.01765	2.8
209.01251	2.0
210.99161	16.3
211.00952	7.0
211.04439	1.6
213.00682	12.2
214.03293	2.8
216.54213	1.3
217.00076	1.8
219.01753	32.9
219.03772	2.4
220.02110	1.7
221.05046	1.7
227.02267	4.0
229.00182	69.3
230.00652	1.4
231.01729	2.7
232.04285	1.5
235.00845	3.4
237.02803	42.7
241.02007	1.4
243.01532	1.6
245.05179	3.7
247.01071	12.3
253.00108	4.3
253.01958	5.4
254.02800	1.2
255.03943	2.1
256.04291	3.0
256.96527	2.5
261.03061	1.7
263.02097	1.5
271.01038	13.0
271.06671	2.4
274.97467	19.5
275.02179	3.1
277.00177	2.6
279.01593	2.6
283.06601	2.0
292.98553	10.6
293.03342	3.5
295.01065	6.5
295.06570	1.8
297.02591	6.2
307.01361	2.6
310.05377	3.2
313.02286	2.2
313.04169	2.0
313.07608	3.4
325.07733	2.1
337.02206	8.7
355.03339	48.8
355.07486	1.8
356.03690	3.7
373.04404	100.0
374.04630	6.0
391.05508	10.4
396.05743	2.7
409.06500	1.9
415.05518	15.2
415.10675	7.9
415.14923	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	415.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
58.09381	6.7
59.46568	6.7
67.96022	6.3
69.60384	34.9
71.79586	6.8
91.60117	5.9
103.87039	6.6
121.00264	6.8
214.90259	7.6
250.14310	7.3
304.58783	7.6
385.78342	6.3
415.09970	100.0
416.10495	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	415.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	6.4
56.96571	24.1
61.02919	6.5
69.03439	13.5
70.59872	9.8
70.60219	12.6
71.04983	18.8
82.08207	5.5
85.02898	29.1
86.09728	6.1
93.97978	6.1
97.02907	16.3
98.97578	52.6
103.07529	6.4
109.02871	6.5
110.97582	19.1
116.98626	33.3
119.01945	7.0
120.08128	6.6
127.03902	7.2
128.98616	20.2
134.99684	18.6
146.99663	9.9
155.01921	6.3
160.57095	5.5
161.03004	11.4
173.02948	6.1
177.00523	5.8
183.88379	7.2
197.02997	7.7
200.47215	6.2
208.13426	8.9
214.03299	11.0
219.01776	24.7
229.00352	6.6
229.03667	6.0
237.02832	40.0
244.97401	7.0
245.05070	20.9
254.14027	11.8
262.99695	6.5
271.06683	12.0
274.97556	30.8
292.98505	29.4
293.99078	6.1
340.06192	7.6
355.07196	22.7
373.08035	6.6
415.09738	100.0
415.15259	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	415.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.3
55.01868	1.3
58.87810	0.7
61.21461	0.7
65.03932	6.8
67.05497	4.3
69.03438	1.9
69.36095	1.9
69.36501	3.6
77.03922	1.2
78.04699	2.1
79.05488	22.5
81.03392	1.1
81.07040	2.9
82.04191	3.0
85.02885	4.3
91.05441	5.9
93.03391	1.5
93.07008	1.2
94.04152	1.9
95.04966	5.5
97.06509	2.7
103.05456	2.5
105.04511	1.7
105.07001	2.4
106.04180	1.4
107.04945	39.4
108.02072	1.7
108.05290	1.5
109.02885	0.9
109.06506	1.2
110.03637	3.2
111.04428	1.2
111.07990	0.9
115.05459	5.2
116.06236	1.3
117.07009	7.6
119.04929	1.1
119.08585	0.7
121.06502	2.0
121.10101	0.8
122.03651	1.8
123.04411	3.2
124.05211	7.0
125.06005	6.7
128.06207	1.8
129.06973	5.8
131.04903	3.6
131.08543	6.3
133.06506	1.4
133.10138	1.0
133.11052	0.7
137.05943	8.6
138.03128	1.8
141.06972	4.3
142.02570	2.0
143.04895	1.7
144.05684	3.0
145.06471	12.5
147.04407	2.1
149.05939	2.1
151.03867	2.7
151.07527	1.2
152.04665	4.4
153.05423	2.0
153.06915	0.9
155.04909	2.0
155.06030	3.1
157.06470	3.2
158.07254	2.7
159.04442	0.8
159.08012	4.1
160.05186	0.9
161.05965	6.0
162.06665	3.2
163.07420	1.0
167.07025	100.0
168.07315	4.0
169.06432	1.6
169.92509	0.8
171.04391	1.1
171.06531	2.4
172.05179	1.5
173.05971	7.5
174.06758	9.3
175.07481	2.5
179.07019	1.4
181.04947	58.3
182.05241	2.1
183.08081	1.1
185.05965	0.7
186.06757	2.2
188.04465	0.9
189.09096	11.0
190.06149	1.0
191.06943	1.9
191.10626	1.1
195.06447	4.0
198.06783	0.9
201.05440	17.5
201.09079	5.1
202.05939	1.0
205.06680	1.1
205.08578	12.1
213.09032	2.2
217.08588	1.8
218.05702	1.0
219.10143	12.9
220.10518	0.9
225.09009	1.1
229.04895	0.8
233.08055	31.0
234.08421	1.7
235.09653	1.0
243.10123	1.8
246.70444	0.8
247.07509	0.8
251.07390	0.9
261.07571	2.2
262.06247	1.0
273.11111	6.0
277.08609	1.0
292.07266	0.9
295.09534	1.5
305.08023	1.0
327.12366	1.0
353.13913	1.0
355.11560	1.7
365.13934	1.4
383.14862	1.4
387.14343	31.2
388.14566	3.3
397.16455	6.0
415.12595	4.4
415.18405	6.6
415.26483	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.4
55.05497	1.3
67.05510	2.8
71.32707	1.2
71.33080	1.3
75.16013	1.2
79.05498	3.4
81.07053	4.1
91.05467	1.8
93.07021	2.2
95.08591	2.8
105.07054	1.7
107.04966	1.9
107.08591	3.5
109.10166	2.0
117.06996	1.3
119.08592	2.6
121.06502	1.4
121.10176	1.6
131.08571	1.5
133.06456	1.4
137.05954	1.9
145.10056	1.2
147.11684	1.9
157.10239	1.5
157.14574	1.1
159.08122	1.5
159.11623	1.3
167.07062	3.0
173.13255	1.2
173.19606	1.2
181.04984	3.4
189.05219	2.0
219.06371	4.5
225.09052	1.0
231.10129	1.4
234.08611	39.0
235.09334	6.9
247.92912	1.3
305.08029	1.3
344.97720	1.3
383.11319	1.5
415.17285	100.0
416.17667	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	415.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14100	3.0
52.05207	3.2
53.03953	7.0
55.01877	6.0
55.05502	15.4
57.03490	4.4
57.07062	4.6
58.22135	3.2
59.04991	3.7
65.03925	5.6
67.05504	49.9
69.02966	40.1
69.03427	14.9
69.07063	29.8
71.04990	38.6
79.05486	43.8
81.03413	16.1
81.07059	55.8
83.04986	13.5
83.08619	15.1
85.02917	15.1
85.06538	11.5
89.06048	4.7
91.05464	39.0
93.07043	63.2
95.04972	44.1
95.08612	41.3
97.02909	7.6
97.06529	17.8
97.10173	5.8
99.04465	8.2
99.08112	5.8
103.05463	7.7
105.03440	4.2
105.07021	58.0
106.07368	4.5
107.04947	19.6
107.08591	87.9
107.09258	6.9
108.08950	4.7
109.02882	9.0
109.06524	15.1
109.10155	100.0
111.08088	26.8
113.06029	4.4
115.05482	7.7
117.07039	10.8
119.08581	78.5
121.06516	16.0
121.10143	44.6
123.04442	8.5
123.08052	10.9
123.11720	12.5
125.05987	4.8
125.09615	35.3
126.04567	4.0
127.03933	10.0
127.07586	7.3
127.11194	8.3
131.08533	22.0
133.06493	5.6
133.10135	36.6
135.08049	12.3
135.11711	32.2
137.02335	4.1
137.05986	10.8
137.09604	10.4
137.13310	4.0
139.07542	5.7
139.11145	5.8
143.08597	11.0
145.06465	3.8
145.10135	30.6
147.08087	7.8
147.11685	87.9
148.12140	4.1
149.05960	4.8
149.13254	15.8
151.03909	6.7
151.07610	9.0
151.11172	7.6
153.05449	4.6
153.12721	27.1
157.10194	10.2
159.08163	4.2
159.11722	16.7
161.09622	10.6
161.13235	10.3
163.03978	3.6
163.07509	6.5
163.11214	10.2
165.09131	5.7
165.12706	21.9
167.07054	28.7
171.11694	5.1
173.13280	10.6
175.07555	5.8
175.11182	14.7
175.14890	6.3
177.05370	5.1
177.12799	5.9
181.04967	28.3
185.09462	3.7
185.13185	3.9
187.11139	5.5
187.14827	5.1
189.09091	4.4
189.12788	5.9
189.16383	41.8
191.14290	5.3
191.17941	8.5
193.15883	10.4
195.06560	11.1
195.13753	7.7
201.05499	7.5
203.10510	5.1
207.17377	8.4
211.13167	4.0
213.16551	4.9
217.12318	6.6
217.15848	36.7
233.08124	8.6
235.09679	4.7
235.13290	8.6
235.16841	39.1
236.17171	4.9
253.18011	10.5
266.70129	3.9
289.03464	17.9
317.02982	12.9
318.03586	5.3
319.04486	6.8
387.13885	5.2
397.22641	6.7
403.72156	3.8
415.09631	52.4
415.22635	19.4
415.32043	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	415.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.8
55.01874	7.1
55.05511	88.1
56.05838	2.0
57.03429	1.6
59.04989	2.6
65.03942	0.8
67.05151	1.0
67.05502	18.4
69.03429	9.7
69.07066	13.8
70.45635	1.6
70.46027	0.6
79.05493	23.4
81.06615	1.3
81.07058	18.9
82.07385	0.8
83.04971	4.9
83.08619	48.3
84.09010	0.7
85.02885	1.1
85.06532	3.0
87.04477	1.0
91.05435	4.8
93.07040	8.5
95.04948	1.7
95.08604	2.7
97.06546	0.9
97.10167	100.0
98.10509	2.0
98.97581	0.7
101.06016	1.4
101.09635	2.3
105.07024	2.0
105.66002	0.7
107.08591	25.8
108.08918	1.0
109.06532	1.2
109.10150	2.4
111.08090	3.8
115.05450	0.8
117.07018	2.5
119.08580	1.7
121.06525	0.7
121.10141	1.6
125.09628	89.9
126.09950	3.5
131.08551	1.8
133.10144	1.8
135.08058	8.6
143.10684	4.8
147.11641	1.1
153.09093	6.1
159.11684	1.0
165.09019	0.6
167.07027	1.1
171.10217	4.8
181.04916	1.5
183.11761	0.7
183.90471	0.7
189.11211	78.8
190.11557	2.9
194.31863	0.7
201.53500	0.9
227.12767	28.9
245.13809	2.1
274.97507	1.1
397.22327	9.3
397.27176	1.4
398.22452	1.0
415.23254	42.4
415.28186	1.8
416.23486	4.8
416.28406	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2327
Annotation	Tentoxin
Peak:m/z	Relative Intensity
53.03938	2.1
55.01868	6.8
55.05509	80.8
56.05818	1.3
57.03438	1.6
57.06481	0.9
59.04992	3.2
61.57788	0.8
61.96961	0.8
65.03946	1.2
67.05501	16.6
69.03428	9.3
69.07069	11.9
69.07408	1.9
70.33949	0.9
71.05002	1.5
71.32759	1.5
79.05493	20.5
81.07056	19.9
83.04984	5.7
83.08618	47.4
84.08939	1.3
85.06516	2.6
87.04458	1.6
91.05447	4.6
93.07047	8.7
95.08601	2.2
97.06508	1.5
97.10166	100.0
98.10506	2.2
101.05996	1.5
101.09652	1.9
105.07017	2.4
107.04975	1.4
107.08595	27.1
108.08931	1.2
109.06516	1.3
109.10142	2.3
111.08066	2.7
115.05439	0.9
117.07011	2.4
119.08579	2.2
121.10131	1.6
123.11784	1.0
125.09624	86.9
126.09979	2.2
133.10115	2.3
135.08037	9.2
137.05937	1.1
143.08650	0.9
143.10658	4.9
145.10115	1.2
147.08022	1.1
147.11674	1.0
153.09126	6.9
157.54620	1.0
159.11688	1.0
167.07100	2.5
171.10150	7.7
181.04971	2.9
189.11209	80.5
190.11601	3.5
227.12772	31.8
228.13115	2.6
245.13902	2.2
274.97253	1.2
397.22430	7.5
415.23279	47.2
416.23578	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	415.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	2.2
53.03933	8.1
54.77853	1.0
55.05517	12.6
57.07075	5.3
65.03910	1.3
67.05506	9.8
69.03442	2.1
69.07069	14.9
71.04989	5.3
71.08631	1.4
71.31913	1.5
72.48226	1.2
77.03931	1.8
79.05492	41.7
81.03417	1.3
81.07052	16.0
83.01338	2.6
83.04983	5.1
83.08613	5.9
84.32163	1.4
86.31730	1.2
87.14234	1.5
91.05479	31.3
92.05765	1.3
93.07044	100.0
94.07385	3.3
95.04955	9.7
95.08607	8.2
97.06522	1.2
97.10180	1.7
102.80559	1.1
105.04508	4.0
105.07026	17.4
107.08591	66.1
108.08935	2.3
109.06498	3.0
109.10154	9.4
111.08084	1.8
113.06009	1.6
116.95592	1.0
117.07037	1.4
119.04967	1.4
119.08576	12.4
121.06534	4.5
121.10155	8.2
123.08079	2.5
123.11697	2.4
125.09696	2.1
129.09161	2.0
131.08546	4.3
133.10123	10.5
135.08069	3.0
135.11688	55.9
136.12010	2.5
137.05969	2.5
137.13261	1.5
139.03920	3.1
143.08557	1.8
145.10138	5.3
147.11694	4.0
149.05965	1.7
149.09644	2.5
149.13271	2.1
151.07559	3.0
151.11098	1.2
153.05469	2.1
155.03450	1.2
157.10173	2.1
159.08009	1.8
159.11754	3.7
161.05963	2.2
161.09656	1.5
161.13196	1.9
162.06676	1.3
163.07509	2.5
163.11192	2.1
163.14917	2.0
165.05502	1.5
167.07024	10.9
169.04991	3.6
173.13284	2.9
175.07593	1.6
175.14850	1.4
177.05457	1.9
177.09155	2.9
181.08539	1.5
183.02908	7.4
183.06543	10.2
185.09546	1.2
185.13188	1.5
189.05496	1.9
189.12796	2.0
189.16376	1.5
191.07033	11.8
192.07825	3.4
193.04974	1.6
195.06435	1.3
197.08095	6.6
205.08601	9.0
207.06543	9.1
208.07179	2.0
209.08026	3.1
210.08904	2.8
219.17560	2.7
221.08073	1.7
223.09666	26.6
225.07558	9.5
226.08353	3.0
235.13371	1.7
245.11787	2.4
249.14877	2.9
251.12820	2.0
261.11325	2.8
263.12796	8.5
265.14340	2.4
273.14917	4.8
275.12735	2.9
279.12317	5.0
281.13834	62.5
282.14178	4.6
287.22226	2.1
325.17911	7.0
327.19400	2.1
343.19031	7.7
345.20609	1.9
397.31207	2.0
415.20380	2.8
415.25342	7.1
415.31726	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	415.269
Annotation	Feigrisolide D
Peak:m/z	Relative Intensity
53.03949	2.7
55.01877	7.0
55.05512	35.3
57.03453	1.7
57.07084	2.0
65.03940	5.1
66.84914	1.8
67.05503	31.4
69.03427	4.3
69.07081	17.0
69.27294	13.5
71.04995	5.3
79.05491	31.1
81.07059	43.2
83.04987	20.9
83.08621	17.2
85.02898	4.6
85.06554	4.2
91.05477	38.7
93.07047	43.1
95.04977	8.6
95.08603	30.7
97.06534	17.5
97.10172	26.5
99.04476	2.1
99.08112	2.8
103.05519	2.1
105.07030	15.2
107.04958	20.7
107.08588	31.6
109.06545	8.4
109.10166	14.8
110.03703	2.1
111.04427	15.6
111.08086	5.8
113.06023	6.0
115.05449	3.3
117.07027	12.8
119.04980	3.1
119.08584	100.0
120.08950	2.2
121.06503	28.3
121.10136	16.5
123.08138	4.4
123.11706	4.1
125.05990	9.0
125.09631	25.7
129.06984	3.6
131.04974	3.0
131.08577	19.2
133.06512	3.0
133.10161	10.5
135.08051	10.4
135.11682	13.6
137.05940	4.2
137.09651	4.2
139.07547	3.2
139.11203	4.6
141.07036	5.2
143.08589	5.8
145.06522	5.2
145.10146	19.8
147.11693	8.7
148.05225	2.5
149.06071	1.9
149.09616	4.8
149.13272	12.2
153.09138	6.6
153.12743	12.1
157.06604	2.1
157.10101	3.1
159.08069	3.0
159.11678	16.7
161.09641	2.6
161.13226	4.3
163.07594	2.1
163.11201	5.4
163.14815	5.8
165.05463	11.3
165.12732	2.3
167.07066	6.0
167.14336	8.2
167.38612	1.8
169.10066	9.8
171.11589	4.0
173.06010	2.8
173.11852	3.2
173.13260	18.7
175.07545	3.0
175.11163	2.4
177.12766	15.8
181.04964	32.6
181.12364	2.2
185.06131	2.3
187.11168	20.5
189.11238	24.8
189.12759	4.1
189.16370	3.4
191.07051	3.5
191.10793	2.2
191.14301	9.0
191.17949	2.0
195.13860	5.7
203.10770	2.1
205.08669	3.6
205.12257	28.8
207.17438	2.2
209.15350	10.8
220.07387	2.9
221.08090	2.4
223.13266	20.6
227.12781	2.6
227.16359	3.2
235.09717	3.8
237.18570	2.0
241.14334	36.3
301.10730	3.1
313.14349	2.4
325.21655	4.3
333.24274	4.0
343.22900	11.6
355.11441	2.2
361.23718	22.9
379.24786	28.9
379.29547	2.4
380.25137	4.1
385.12839	6.9
387.21759	2.4
397.25949	13.0
397.30801	3.5
415.17148	3.4
415.21420	21.3
415.26889	3.2
415.32358	4.1
416.21619	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.7
55.01871	22.8
55.05511	29.5
57.03434	4.3
57.07078	5.9
65.03944	2.8
67.05502	46.6
69.03410	5.3
69.07061	32.4
71.04998	5.8
71.31736	3.1
73.02892	4.2
79.05494	32.2
79.61982	2.9
81.03421	3.3
81.07057	68.9
82.07368	3.3
83.04981	17.7
83.08617	11.4
85.02911	14.7
85.06537	8.1
91.05466	41.1
93.07045	78.5
95.04968	12.4
95.08605	90.8
95.09212	4.9
96.08942	2.6
97.06535	7.9
97.10166	6.0
99.04450	4.3
99.08091	2.9
101.02365	11.2
105.07021	56.5
106.07381	3.1
107.04952	5.9
107.08588	100.0
108.42174	2.6
108.43040	2.9
109.06516	12.7
109.10150	56.2
111.04441	35.4
111.08065	10.6
115.05427	3.1
117.07007	11.7
119.08573	83.8
121.06517	11.0
121.10135	64.6
123.08038	11.2
123.11712	29.8
125.06007	5.9
125.09620	7.7
128.47331	2.8
129.06985	12.8
131.08542	34.3
133.06512	3.8
133.10133	60.9
135.08043	8.9
135.11688	58.3
136.12013	5.3
137.05980	6.8
137.09621	9.2
137.13242	9.1
139.07536	11.0
143.08537	18.9
145.10133	44.2
147.08055	9.0
147.11688	44.8
149.09604	9.8
149.13280	24.3
151.02753	3.6
151.03897	8.1
151.07520	5.6
151.11183	4.3
153.09071	4.4
155.08546	8.4
156.09358	3.9
157.10117	19.5
159.08083	4.1
159.11662	39.6
161.09622	12.8
161.13242	27.2
163.07590	7.1
163.11177	9.7
163.14822	17.5
165.09131	5.2
167.07062	5.2
167.08533	5.1
169.10118	13.0
171.11667	19.0
173.13263	25.4
175.07562	8.3
175.11153	10.7
175.14824	19.6
177.09125	11.3
177.12766	5.6
177.16330	6.3
179.10643	3.8
179.14268	4.2
181.04990	7.1
181.10072	6.2
183.11679	10.4
184.12343	4.3
185.09645	4.4
185.13260	10.9
187.11185	6.4
187.14842	24.8
188.15273	3.0
189.09114	17.8
189.11140	2.6
189.12758	10.3
189.16380	66.5
191.07011	4.7
191.10664	9.5
191.14212	6.0
191.17905	20.2
193.08511	4.0
193.12177	3.9
195.11719	7.0
197.13283	13.1
199.14847	15.5
201.12787	3.1
201.16389	22.3
203.10672	6.7
203.14293	5.2
203.17982	12.6
205.12312	5.2
205.15907	4.4
207.17438	63.6
208.17891	4.7
209.11559	3.4
209.13254	6.8
211.14807	5.1
213.12744	3.4
213.16412	9.4
215.10704	3.6
215.14421	6.9
215.17981	6.8
217.12280	5.4
217.15921	4.1
227.14351	4.2
227.17871	8.4
229.12340	6.9
231.13692	3.6
233.15425	4.0
235.09692	4.5
241.19580	3.8
243.13786	10.6
245.15410	4.1
247.17046	3.3
257.15439	3.5
269.15244	4.3
281.18860	3.8
283.16891	3.1
293.79370	2.8
333.25732	3.9
351.26697	15.9
361.24908	4.9
369.27927	18.7
373.16324	3.1
379.21649	5.8
379.26282	87.7
380.26627	10.0
397.19568	3.5
397.27328	55.6
398.27692	7.5
415.28366	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	415.3205
Annotation	Griffinisterone C
Peak:m/z	Relative Intensity
51.02368	1.1
53.02741	1.1
53.03951	2.6
55.01878	1.2
55.05508	12.1
57.03428	1.2
57.07068	4.6
57.28006	1.0
61.57975	1.0
65.03925	1.9
65.85051	1.1
67.05502	26.2
67.79633	1.2
69.03412	1.5
69.07066	20.2
71.04969	2.8
71.32726	2.1
79.05488	22.7
81.03430	1.4
81.07052	55.7
81.85963	1.2
83.04985	5.6
83.08614	10.8
85.06541	8.7
91.05468	26.2
91.05981	2.1
92.05772	1.4
93.07041	45.9
94.07374	1.4
95.04962	4.1
95.08604	62.1
96.08952	1.4
97.06519	4.7
97.10162	5.0
99.08138	1.8
101.06032	2.5
102.05593	1.2
103.05510	2.0
104.07093	1.2
105.04523	1.2
105.07023	42.2
106.07334	1.3
107.04945	2.6
107.08590	53.9
108.08929	1.3
109.06512	5.2
109.10158	31.7
111.04442	1.5
111.08096	4.5
111.11715	2.2
117.07027	7.3
117.12030	1.2
119.08576	100.0
120.08950	3.5
121.06550	5.7
121.10140	62.1
122.10471	2.5
123.08076	3.0
123.11703	16.9
125.05998	2.5
125.09625	1.6
127.11206	1.4
129.07024	3.8
131.08568	11.9
133.06514	1.9
133.10115	31.1
135.08080	3.0
135.11694	36.5
136.11932	1.2
137.09596	2.6
137.13316	5.8
139.07521	1.3
139.11153	14.1
141.09308	1.5
142.07761	1.9
143.08534	6.5
145.10107	23.1
147.08051	2.3
147.11681	30.5
148.12074	1.6
149.09624	4.7
149.13263	18.3
150.13634	1.3
155.08511	2.1
156.09299	1.8
157.10139	11.4
158.10912	1.5
159.08086	1.8
159.11685	22.7
161.09660	3.4
161.13274	23.9
163.11148	6.4
163.14816	11.9
165.12766	2.8
169.10124	3.4
171.11664	8.8
173.09685	2.1
173.13246	13.9
175.11214	9.5
175.14841	12.0
177.12779	5.9
177.16408	5.8
179.10580	1.7
179.14363	4.8
181.08504	1.1
183.11719	4.3
185.11746	3.4
185.13310	4.3
187.11194	2.3
187.14854	7.5
189.11121	2.1
189.12723	15.4
189.14772	1.9
189.16319	16.0
191.10675	2.6
191.14352	6.9
191.17949	10.9
193.12254	3.7
197.13275	2.3
199.14838	5.1
201.16444	7.3
203.14316	1.6
203.17920	10.5
205.15833	2.1
207.13785	8.3
207.17482	5.3
209.13341	2.0
210.04230	1.2
211.14790	2.2
213.16389	4.9
215.14485	1.9
215.17961	5.7
217.15973	1.4
217.19466	14.7
219.13805	1.6
221.19002	1.7
227.12801	3.7
227.18044	1.4
229.19595	2.9
233.18863	1.5
235.16983	1.5
239.18001	1.7
243.17444	2.8
245.13832	22.2
245.19052	1.7
255.17398	1.5
255.21135	1.8
257.19092	1.8
257.22635	1.5
265.19812	1.4
267.21094	1.6
269.19333	1.7
281.22919	1.4
301.21817	2.0
303.23102	1.8
323.23749	1.2
343.98621	1.5
351.30447	2.9
353.28439	2.0
361.28824	1.8
369.31461	6.4
379.29956	17.1
380.30179	2.7
390.60831	1.4
397.19943	2.4
397.31036	31.5
398.31534	3.9
399.27365	2.9
415.20789	2.2
415.32126	68.9
416.32324	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	415.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.9
55.01867	7.4
55.05254	6.1
55.05510	100.0
56.05833	3.1
57.07071	27.2
65.03904	4.6
67.05506	48.6
69.03435	6.3
69.07063	80.3
69.10501	26.9
71.04977	4.5
71.08636	20.9
73.33819	3.2
79.05488	51.3
81.07053	86.7
83.05007	8.8
83.08616	74.6
85.06529	5.2
85.10185	10.2
91.05473	10.9
93.07040	36.5
95.08601	54.0
97.06518	16.6
97.10162	91.0
98.10541	5.8
98.23325	8.1
104.31976	3.3
105.07051	8.0
107.08583	52.0
108.44954	3.0
109.10165	28.6
111.08064	8.5
111.11720	7.6
111.58334	3.9
111.86846	3.3
114.88583	3.4
115.07574	7.9
119.08586	25.0
121.10141	32.4
123.11707	15.5
125.09628	98.8
131.08530	3.7
133.10126	8.8
135.11685	25.5
136.81363	3.4
137.13205	6.6
139.11174	6.9
143.10666	35.2
145.10130	6.4
147.11674	7.3
149.13260	18.5
153.12753	5.3
161.13232	5.7
163.14865	11.8
167.14368	8.0
171.13783	4.6
175.14909	3.5
177.16473	3.9
181.15880	6.2
219.21010	34.7
234.78754	3.8
237.22121	67.2
238.22528	4.8
255.23186	15.3
303.37207	3.5
343.29865	4.1
361.31024	22.0
362.30807	3.4
379.32132	37.9
380.32492	3.7
397.31024	7.6
415.32059	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	416.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51853	0.7
53.03939	1.6
55.01865	1.9
57.03436	4.5
61.02924	10.7
69.03427	16.0
71.05000	1.5
71.15629	1.1
73.02917	2.9
77.83276	0.8
81.03412	7.0
82.33792	0.8
85.02901	100.0
86.03239	1.2
87.04484	0.9
91.03972	5.5
97.02890	20.9
99.04456	4.0
101.02415	0.9
103.03954	1.4
109.02887	7.9
127.03908	21.1
145.04948	50.4
146.05315	1.2
163.06006	25.9
163.07295	1.4
164.06390	1.2
234.19547	0.9
237.13290	1.3
325.11163	1.0
416.15396	1.5
417.07773	1.1
417.13327	1.9
421.34393	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.8
54.88638	2.0
55.01865	2.8
55.05510	29.9
57.03436	3.9
57.07069	3.2
58.99572	8.7
67.05164	3.9
67.05506	49.6
69.07062	26.1
71.04991	3.8
71.31825	3.0
75.97520	2.3
76.02231	17.0
79.05491	66.8
81.03419	3.4
81.07056	88.3
83.04968	6.6
83.08637	14.2
85.02911	4.9
85.06538	7.7
86.99056	4.4
88.04000	17.2
91.05470	40.4
93.07046	100.0
94.07368	3.2
94.31375	2.0
95.04958	9.1
95.08607	59.7
95.09217	2.9
96.53517	2.4
97.06521	8.2
97.10181	8.5
103.05423	3.1
105.00077	9.7
105.07027	32.6
106.39859	2.4
107.04974	4.7
107.08594	61.1
109.06491	5.4
109.10146	24.2
111.08076	4.4
117.06993	7.4
119.08585	36.0
121.06513	3.1
121.10153	42.7
122.02731	76.1
123.04373	2.4
123.08073	5.0
123.11664	5.0
125.09628	7.9
129.07028	4.5
131.08554	12.1
133.06508	2.3
133.10141	22.9
135.08029	6.5
135.11690	61.1
135.12668	4.6
137.05959	10.5
137.09607	6.1
137.13268	11.2
139.07478	2.3
143.08553	5.6
145.06485	5.5
145.10092	11.6
147.08119	3.1
147.11719	12.2
149.13269	27.1
151.03914	3.9
157.10124	3.1
159.11658	11.9
161.05898	3.0
161.13252	37.3
163.07556	4.1
163.11165	2.5
163.14818	6.5
167.07018	29.4
171.11646	5.1
173.09622	3.1
173.13202	5.5
175.11171	2.4
175.14804	3.3
179.10800	2.0
179.14307	28.5
181.04991	11.1
185.13214	3.1
187.14725	2.5
189.09113	5.0
191.07053	6.1
197.15424	4.8
199.14680	2.5
203.10690	3.1
204.11349	6.3
205.12210	19.8
207.13763	2.7
209.18254	2.4
213.16412	4.1
235.17024	3.3
259.20447	4.7
277.21613	91.4
278.21906	7.6
327.16006	3.8
387.14471	4.2
410.13104	2.3
416.28659	2.6
417.15173	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	416.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62276	1.1
53.03951	2.1
53.27729	1.1
55.01872	2.7
55.05518	7.6
57.03434	1.5
57.07065	1.6
60.77935	1.5
67.05500	22.2
69.03439	3.5
69.07070	14.1
70.20144	2.3
70.20534	2.5
71.04991	8.0
79.05493	26.0
81.07058	23.3
83.04971	5.6
83.08620	3.1
85.02905	2.1
85.06554	2.9
89.02386	1.7
91.05472	12.6
93.07043	36.0
94.07383	2.0
95.04984	4.8
95.08604	26.4
95.61967	1.1
96.08911	1.3
97.02905	1.3
97.06519	6.9
97.10183	3.1
99.04462	2.3
102.00899	1.1
103.05502	1.6
105.03357	1.1
105.07030	10.2
106.07401	1.5
107.04951	9.0
107.08591	16.7
109.06523	2.9
109.10133	8.7
111.04469	1.9
111.08097	2.6
111.11723	6.4
113.06019	1.5
115.05405	1.3
117.07033	6.4
119.08581	18.7
120.08907	1.5
121.06523	6.2
121.10141	59.8
122.10496	1.9
123.04405	1.3
123.08091	3.9
123.91859	1.2
125.06003	5.0
125.09615	1.9
127.30899	1.1
129.07056	1.6
131.04904	1.1
131.08577	7.7
132.08911	1.4
133.06487	1.9
133.10117	6.7
135.08051	3.3
135.11687	19.9
136.12091	1.3
137.05957	2.0
137.09602	23.0
138.09888	1.3
139.07550	2.5
139.11180	19.8
143.08546	3.3
145.06479	1.5
145.10124	19.0
146.10417	1.5
147.08060	1.8
147.11688	3.8
149.09630	6.8
151.03932	2.0
153.09041	1.7
155.08476	1.7
155.10657	12.4
159.11699	1.7
161.09622	1.9
161.13297	1.4
163.07542	6.3
163.11186	29.2
164.11467	1.3
165.05537	1.6
165.09125	2.4
167.06993	7.3
167.10744	2.0
173.09558	6.2
173.11777	3.1
173.13165	1.7
177.09152	2.4
179.07031	1.4
181.04984	5.6
181.08585	5.3
181.12172	6.1
185.11736	8.9
185.13188	2.0
191.10651	11.5
191.14371	1.5
193.08551	1.9
194.09074	1.5
195.06479	1.3
203.12741	1.4
209.11722	8.0
219.13779	4.1
227.12785	18.2
235.09644	1.4
237.14943	3.3
245.13840	100.0
246.14247	3.7
357.22668	7.0
363.21704	12.0
381.22830	9.6
399.23877	13.7
417.22665	17.3
417.27646	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44646	0.8
69.48879	4.3
70.06589	100.0
71.06923	1.1
73.67862	0.7
74.00641	1.1
84.30250	0.9
96.08096	0.9
98.06039	3.9
98.97543	1.2
116.07116	1.3
119.17789	0.8
122.02742	1.5
123.04430	1.1
124.07594	4.2
125.07107	1.9
126.03731	21.5
126.05534	0.9
128.05290	1.3
137.07082	1.1
138.45155	0.9
139.08705	4.0
150.05437	1.4
152.07042	2.1
153.01846	1.9
154.03223	3.4
156.04753	0.8
167.08182	1.1
171.05832	0.8
176.11794	2.2
177.99915	1.4
195.11203	1.0
199.05385	4.8
204.11304	12.0
217.06497	3.4
218.12831	1.0
219.07982	20.0
219.10098	1.0
222.12373	3.9
229.04730	1.0
250.11943	5.0
257.04272	1.4
264.13406	4.6
275.05066	1.8
292.07693	1.3
296.10602	10.2
303.04620	1.0
316.13156	4.2
320.07370	4.6
327.30765	0.8
330.09567	1.9
344.11005	1.1
371.12103	2.0
372.05728	1.3
372.10440	26.1
373.10904	2.8
375.05835	1.4
389.13165	1.7
400.09955	9.8
417.12555	32.2
418.12634	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	417.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
69.84053	48.8
71.63463	10.0
79.05535	10.4
90.84264	9.9
95.04973	16.0
107.04910	13.5
115.05415	11.5
121.02853	14.8
123.04454	20.5
137.05986	13.1
145.06517	19.4
153.01787	15.7
155.07027	12.7
167.07005	100.0
171.33652	10.4
173.05946	13.6
181.04930	67.4
233.07974	15.7
248.82271	10.4
327.04999	15.2
387.14655	18.5
399.13974	12.7
417.15683	64.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33218	9.7
69.84023	49.5
91.05460	24.8
93.07073	13.3
98.23360	14.8
104.68063	11.7
107.04918	13.2
107.06107	10.7
137.05983	11.4
159.08067	12.2
164.86566	12.5
167.07019	70.5
181.04958	46.5
181.06462	22.8
191.07071	13.8
217.08611	21.9
227.06970	22.4
255.06531	100.0
256.06763	13.8
408.99872	12.9
413.40961	13.6
417.12387	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	417.1541
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
50.32514	0.6
53.03945	1.6
55.01859	1.6
55.05506	0.7
57.66947	0.6
65.03938	4.9
67.05500	2.3
69.03414	1.1
69.21205	4.5
78.04697	2.2
79.05477	4.1
81.03403	0.8
81.07032	1.9
82.04179	1.9
83.08576	0.6
83.75361	0.5
85.02912	3.7
91.05473	3.7
93.03381	1.8
93.07045	1.7
95.04946	3.0
95.08585	1.8
97.06506	2.2
102.04700	1.0
103.05461	16.0
103.96886	0.6
105.03386	1.4
105.07023	3.0
106.04153	2.0
107.04945	6.4
107.08598	0.7
108.05321	0.6
110.03650	1.7
111.04430	1.6
115.05414	5.6
117.07015	5.8
118.04173	4.1
119.04923	1.9
119.08546	1.0
120.05703	1.0
121.02856	0.8
121.06474	1.0
122.03639	0.6
123.04430	6.8
123.06583	0.6
124.05248	2.9
125.05969	2.2
127.05436	1.4
127.86234	0.6
129.07004	0.7
130.04120	1.2
131.04919	11.5
131.08475	0.8
132.05659	1.4
133.02840	2.5
133.06546	3.3
133.10162	0.8
135.08064	1.2
137.05963	1.5
138.03143	1.4
139.07526	0.7
142.02602	1.7
143.04973	0.7
145.06473	9.1
146.07172	0.9
147.04391	0.9
147.08008	2.9
148.05171	9.3
149.05898	1.6
151.03896	2.1
151.07477	1.0
152.04639	3.0
153.05476	0.9
155.05974	3.2
157.06462	1.0
159.08023	0.8
161.05951	1.8
163.07538	14.4
164.07814	0.8
165.05553	0.8
167.07027	100.0
168.07401	2.9
171.06532	2.6
171.07956	0.8
173.05981	15.3
174.06744	3.6
175.07578	4.6
176.04707	1.7
177.05421	1.1
179.07016	1.8
181.04944	62.7
182.05289	3.2
187.07539	2.3
189.05508	0.8
189.09109	1.7
190.06139	0.7
191.07021	48.9
192.07391	1.9
193.08521	1.1
195.06497	2.9
201.05504	1.0
202.06236	1.6
203.07010	2.3
204.07803	1.0
205.08559	5.0
206.05756	0.6
207.06512	1.6
207.10112	0.7
209.08093	1.2
217.08682	2.1
219.10002	3.4
221.08020	0.9
231.06453	0.8
233.08040	10.6
235.07515	1.3
235.09595	6.7
245.08224	1.1
253.08665	1.0
263.09131	11.0
267.10049	0.8
269.04703	0.7
281.08148	1.1
292.07089	0.6
295.09674	0.9
307.09625	1.3
309.07761	0.7
310.12115	0.9
323.09024	1.1
325.10657	1.5
325.58057	0.6
329.10269	0.6
338.11258	0.8
339.12228	1.4
340.12906	1.3
341.10040	0.9
356.12479	2.0
357.13409	1.2
367.11612	1.0
371.14865	16.5
372.15372	1.7
372.52090	0.6
381.13318	0.9
385.12787	1.9
387.14331	12.1
388.14426	1.7
393.85931	0.7
399.14258	1.8
411.23297	0.7
417.15356	22.0
418.15662	2.6
423.00839	0.7
428.06561	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1542
Annotation	Comazaphilone E
Peak:m/z	Relative Intensity
53.03931	1.0
55.01861	1.1
55.05499	0.6
65.03935	3.9
65.97886	0.3
67.05490	1.5
69.03410	1.1
69.07062	0.4
69.51633	2.1
77.03941	0.4
78.04706	2.9
79.05484	4.3
81.03402	0.9
81.07067	0.8
82.04182	1.9
83.04964	0.4
85.02905	3.2
88.28854	0.3
91.05491	3.1
93.03399	1.1
93.07021	1.1
95.04982	2.5
95.08607	0.5
97.02863	0.6
97.06506	1.5
100.11256	1.0
103.05460	11.1
105.03377	1.0
105.06997	2.2
106.04171	2.1
107.04950	6.5
108.02084	0.9
109.06506	0.6
110.03644	1.5
111.04423	1.1
115.05457	4.3
116.06102	0.4
117.07022	6.0
118.04153	2.2
118.04914	0.4
119.04910	0.6
119.08593	0.5
120.05735	0.5
121.06485	0.9
122.03607	0.6
123.00773	0.4
123.04421	7.5
124.05238	2.8
125.05979	1.7
127.05458	1.1
129.06892	0.4
130.04141	0.8
131.04924	7.4
133.02834	0.9
133.06500	1.3
134.03575	0.9
135.04376	0.4
135.08044	0.9
135.11687	0.6
137.05962	1.8
138.03081	1.1
141.06985	0.5
142.02635	1.3
143.04922	0.6
144.05682	0.6
145.06482	9.0
146.03604	0.4
147.08025	1.2
148.05182	6.6
149.05949	0.6
151.03889	2.3
151.07454	0.4
152.04683	2.4
153.05438	0.9
155.06024	4.2
155.07181	0.5
156.05666	0.4
159.08003	0.5
161.05981	1.0
161.71858	0.3
163.07544	8.6
165.05461	0.6
167.07028	100.0
168.07375	3.5
171.06505	2.2
173.05978	14.8
174.06421	0.7
175.07547	1.2
176.04674	1.2
177.05479	0.5
179.07030	0.4
181.04948	48.9
182.05281	2.5
182.15393	0.6
187.07520	0.8
189.05458	0.4
190.06165	0.7
191.07022	25.4
192.07452	1.6
193.08620	0.7
195.06548	1.8
201.05482	0.7
203.07013	1.0
204.25546	0.4
205.08604	3.8
207.06525	0.6
209.08098	0.9
210.14798	0.5
217.08565	0.8
219.10194	1.2
221.08017	0.8
233.05879	0.7
233.08055	6.9
235.07411	0.5
235.09573	3.8
237.09135	0.6
245.08121	0.5
263.09171	1.2
264.07565	0.4
265.08618	0.4
291.94498	0.4
297.11118	0.5
309.07639	0.4
317.71857	0.5
325.10742	0.7
329.10068	0.8
357.13217	0.6
367.11649	0.9
371.14661	0.4
381.13373	0.7
385.12613	0.9
387.14346	8.8
388.14658	0.7
399.14185	0.7
417.15375	17.5
417.28802	2.7
418.15750	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.154
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
51.02375	0.3
51.17056	0.2
53.03948	0.3
55.01859	0.5
55.05522	0.2
65.03937	1.4
66.28054	0.2
67.05485	0.8
69.03399	0.5
69.26242	1.5
75.52562	0.2
78.04288	0.3
78.04703	3.3
79.05491	1.0
81.03403	0.5
82.04227	0.5
85.02902	1.0
91.05456	1.2
93.03394	0.6
94.04163	0.2
95.04958	0.9
96.05687	0.3
97.02845	0.2
97.06499	0.6
101.78423	0.2
102.04645	0.3
103.05463	1.4
105.03384	0.2
105.04517	0.3
106.04177	2.1
107.04974	0.9
108.02067	0.4
109.02872	0.4
109.06521	0.3
110.03632	0.7
111.04506	0.2
115.05448	3.9
117.07008	5.4
118.07336	0.2
121.02654	0.2
122.03617	0.5
123.04421	7.7
124.05231	2.4
125.05975	0.4
127.05433	1.0
130.04100	0.3
131.04904	0.4
133.06473	0.4
134.03616	0.4
135.04439	0.3
137.05952	0.4
138.03099	0.4
142.02577	0.5
143.04893	0.4
144.05695	0.3
145.06473	7.9
146.06824	0.3
147.08020	0.4
151.03918	1.4
152.04669	2.1
153.05435	0.7
155.04900	0.2
155.06020	4.1
155.07188	0.3
167.07021	100.0
168.07358	3.5
171.06516	0.7
172.05208	0.3
173.05966	15.5
174.06352	0.6
175.07523	0.5
181.04935	18.0
182.05293	0.8
198.24260	0.2
201.05463	0.6
203.06953	0.2
205.08525	3.4
218.89737	0.2
233.08055	7.6
234.08360	0.4
235.09641	3.3
263.06943	0.2
329.10101	0.2
359.58508	0.2
369.13425	0.2
372.12347	0.2
387.14352	12.2
388.14581	1.0
417.15384	20.9
418.15750	1.7
442.00858	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1542
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
52.19056	0.6
53.03935	1.0
55.01855	1.2
55.05501	0.8
57.02732	0.4
63.79212	0.4
64.75748	0.4
65.03939	3.7
67.05497	2.2
69.03426	1.3
71.32758	0.5
77.03941	0.5
78.04697	3.3
79.05499	4.7
81.03355	0.5
81.07036	1.7
82.04200	1.3
83.08612	0.8
85.02898	2.4
91.04974	0.4
91.05436	2.3
93.03412	1.2
93.07047	0.7
95.04942	1.8
95.08603	1.1
96.05745	0.5
97.06516	1.2
99.04450	0.5
100.11240	1.2
103.05466	5.6
105.07013	1.6
106.04164	2.1
107.04961	5.7
107.08555	0.6
108.02074	1.1
109.02866	0.5
110.03633	2.2
111.04437	1.5
115.05443	4.0
117.07001	4.8
118.04171	1.2
119.04956	0.7
119.08591	0.8
121.06500	1.1
121.10160	0.5
122.03680	0.9
123.04421	7.6
124.05216	3.3
125.05991	1.6
127.05421	1.5
130.04048	0.5
131.04915	3.3
132.05663	0.5
133.02855	1.0
133.06500	1.3
134.03593	0.7
135.04468	0.8
137.02307	0.5
137.05962	1.6
137.09621	0.5
138.03122	1.1
142.02602	1.1
144.05659	0.5
145.06474	7.8
146.06894	0.6
147.04308	0.6
147.08058	0.7
147.11668	0.5
148.05191	3.1
149.05980	0.8
149.98364	0.5
151.03911	1.6
152.04701	3.1
153.05418	0.8
154.12233	0.7
155.06018	4.5
161.05917	0.6
163.07542	4.2
165.05460	0.8
167.07024	100.0
168.07361	4.4
171.06506	1.6
173.05978	14.2
173.09372	0.6
174.06505	0.8
175.07527	1.3
176.04568	0.5
177.05493	0.9
179.06935	0.6
181.04936	49.8
182.05247	2.9
182.15392	1.2
187.07549	0.7
189.05389	0.6
191.07019	11.7
192.07486	0.6
193.08575	0.6
195.06520	2.2
195.11739	0.5
201.05547	0.7
202.06094	0.4
204.07767	0.4
205.08548	3.7
207.10034	0.9
209.07986	0.8
210.14848	0.9
217.08588	1.3
219.10005	0.5
221.07777	0.5
233.08032	7.3
233.10141	0.7
235.07513	0.6
235.09608	3.4
263.09210	0.8
264.98837	0.5
293.07935	0.5
329.10110	1.3
369.13397	0.6
381.13315	0.8
385.12680	0.6
387.14365	11.1
388.15051	0.9
399.14282	0.7
399.21515	0.5
417.15320	19.5
417.29132	0.5
418.15814	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1544
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
53.03953	1.0
55.01868	0.6
57.03426	2.0
58.19541	0.3
59.04995	0.6
61.02934	0.5
65.03943	1.9
67.05500	0.9
69.03421	4.4
71.01348	0.4
71.05006	0.4
73.02903	0.9
77.77358	0.3
78.04703	2.7
79.05099	0.3
79.05480	2.0
81.03436	0.9
81.07064	0.7
82.04189	0.6
83.04974	0.4
85.02899	5.2
85.03405	0.4
85.06557	0.3
87.04465	2.7
91.05475	1.8
93.03403	0.5
95.04955	1.0
95.08595	0.3
96.05787	0.3
97.02889	3.5
97.06528	0.5
98.22507	0.6
103.05476	1.7
105.07030	0.9
106.04180	2.4
107.04928	1.7
107.08591	0.4
109.02876	0.7
110.03653	0.5
111.04478	0.6
111.36747	0.3
115.03925	4.1
115.05447	3.8
117.07003	5.8
119.08556	0.5
121.02860	1.4
121.06450	0.3
121.10147	0.8
122.03644	0.4
123.04430	7.8
124.05223	2.8
125.06002	0.7
127.03915	1.1
127.05461	0.8
131.04951	0.4
132.05754	0.4
133.04968	5.0
133.06468	0.6
133.10117	0.6
134.03635	0.4
135.04340	0.3
137.05943	1.5
138.03046	0.4
142.02612	1.1
143.10638	0.5
144.05740	0.3
145.04895	1.0
145.06480	8.4
145.10046	0.4
146.06836	0.3
147.04478	0.4
147.08034	0.4
148.49323	0.4
151.03911	1.7
152.04669	2.2
153.05450	0.5
155.04909	0.5
155.06036	3.7
161.05963	0.7
163.06055	0.7
165.07275	0.3
166.83829	0.4
167.07024	100.0
168.07344	3.3
171.06558	0.8
172.05153	0.5
173.05969	15.5
174.06261	0.7
175.03864	0.3
175.07523	0.6
181.04942	20.6
182.05241	0.7
195.10150	0.5
197.54767	0.4
201.05438	1.1
203.06920	0.4
205.08603	3.8
219.17409	0.4
221.08006	0.6
233.08066	9.7
234.08235	0.4
235.09631	3.9
237.11171	0.8
237.18277	0.4
255.12245	4.0
261.07455	0.3
387.14340	13.4
388.14502	1.1
417.15369	25.2
418.15701	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.6
53.50048	0.7
55.01860	2.5
55.05502	2.4
57.03432	0.9
57.07071	1.2
59.02801	0.6
65.03928	1.1
66.04720	0.7
67.05497	5.6
68.99791	0.6
69.03407	0.9
69.07069	3.2
70.64244	1.3
71.04997	1.0
72.02195	0.6
79.05493	9.5
81.03437	0.9
81.07048	6.7
83.04982	0.9
83.08602	1.8
85.06530	1.5
90.05552	3.2
91.05472	6.9
93.03386	0.7
93.07039	5.6
95.04952	1.6
95.08606	7.2
96.08945	1.1
97.06525	1.0
97.10157	1.0
103.05469	8.4
105.07037	16.5
106.07353	1.1
107.04935	3.6
107.08585	3.3
109.02879	2.9
109.06515	2.3
109.10143	3.4
111.08088	1.2
115.05443	0.8
116.13977	0.5
117.07026	1.0
118.04156	17.0
119.04944	1.6
119.08576	3.4
120.05717	1.6
121.06529	4.9
121.10127	3.7
121.39218	0.6
122.07285	2.0
123.08071	1.5
123.11693	0.9
124.05202	7.1
129.07028	0.7
131.04915	2.6
131.08568	1.9
133.02745	0.9
133.06493	23.5
133.10146	3.2
134.07222	2.3
135.04414	3.0
135.08058	6.1
135.11678	2.0
137.05981	2.8
137.09595	1.3
137.13316	0.8
139.07584	1.2
145.10144	1.5
147.11644	1.6
149.05975	3.0
149.09665	1.0
150.06763	10.5
151.07532	4.8
151.11172	1.0
153.05463	2.2
153.09140	1.0
157.10136	0.9
159.08096	0.7
159.11668	1.3
159.59837	0.7
161.06015	5.2
163.07565	2.6
164.08302	2.1
165.05486	3.1
165.09111	15.7
167.07069	0.7
168.07819	2.3
169.08559	0.8
171.11719	0.8
173.13258	1.4
175.07550	1.2
175.14868	0.9
177.05481	1.7
178.06212	0.8
179.07076	0.9
180.07825	3.1
181.08539	1.5
185.13290	1.1
187.14764	1.0
189.16409	1.1
191.07162	0.7
192.07835	4.5
193.08603	100.0
194.08951	5.2
195.06540	6.7
195.10168	19.5
195.11913	1.2
196.10687	0.7
201.16362	0.7
209.08099	7.6
221.11678	1.9
223.09592	4.6
224.10432	14.3
235.13391	0.7
316.13242	0.8
381.31842	0.9
399.21671	1.3
416.32059	0.7
417.22388	1.8
417.30621	0.8
435.59579	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.0
55.01847	1.1
55.05506	13.2
57.03432	6.7
57.07071	6.8
62.55111	0.9
65.03934	1.4
67.05502	56.8
68.05830	1.7
69.07066	15.7
69.25423	7.2
71.04979	1.3
71.08629	2.8
71.65357	0.8
79.05497	20.4
81.03409	1.8
81.07055	71.7
82.07376	2.1
83.04971	2.3
83.08616	10.4
85.06558	2.0
85.10169	1.5
86.40145	0.9
91.05472	14.5
93.07040	20.8
95.04956	2.2
95.08605	64.7
97.06531	4.2
97.10187	4.5
98.98466	100.0
99.08074	3.0
105.07032	11.1
105.64052	1.0
107.08591	13.8
109.06464	1.8
109.10157	31.9
111.08100	4.9
111.11724	1.6
116.99431	1.0
119.08562	9.9
121.10147	13.5
123.08041	1.1
123.11707	15.1
123.12528	1.6
125.00075	0.9
125.09674	2.0
131.08565	1.1
133.10117	10.5
135.11691	8.5
137.09631	2.2
137.13231	7.4
139.11188	1.4
147.11691	8.7
149.13255	8.7
151.11252	1.1
151.14795	6.9
155.01035	97.4
156.01439	1.1
157.15889	0.9
161.13240	6.9
163.09669	0.8
163.14827	6.0
165.12784	1.2
165.16382	3.5
167.14381	1.1
173.13292	1.0
175.14828	5.8
177.16341	1.5
179.17915	1.5
189.16408	3.8
193.15988	1.0
203.17874	2.0
245.22662	20.2
246.22858	1.4
263.23700	52.9
264.24002	3.3
399.32596	1.1
417.27820	1.3
418.38690	1.8
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
53.03951	8.5
55.05516	16.7
57.12128	8.9
58.85468	8.5
67.05517	30.1
69.03417	11.3
69.07082	12.4
71.04991	31.6
71.31839	11.7
79.05499	28.9
81.03410	9.2
81.07063	56.4
85.02890	13.7
91.05478	28.2
93.07060	34.1
95.04985	15.7
95.08619	37.4
97.06567	10.3
103.05520	10.0
105.07037	72.1
107.04945	16.5
107.08611	34.8
109.06453	9.6
109.10172	31.4
117.07028	12.7
117.80606	7.9
119.08586	30.5
121.10180	19.5
123.04411	18.8
123.08162	7.6
125.09649	32.8
131.05048	9.1
131.08607	20.0
133.10115	100.0
135.11732	17.5
137.06024	10.1
143.10703	33.4
145.10155	21.7
147.11687	23.3
148.05116	12.6
149.13245	12.7
155.85254	8.5
159.11685	19.2
161.13243	11.1
163.07462	9.2
167.07022	96.9
167.14314	47.0
173.06009	25.4
174.46365	9.0
181.04961	74.0
191.07019	39.8
195.06534	12.4
219.17422	52.5
387.14621	9.9
396.54340	8.7
417.15564	30.9
417.20551	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	417.2484
Annotation	Dendroside A
Peak:m/z	Relative Intensity
51.02377	4.6
53.03937	7.4
55.01862	9.4
55.05513	16.6
57.07096	6.4
65.03929	5.8
67.05495	26.4
69.03420	12.4
69.07069	17.8
71.04994	35.5
79.05494	27.5
81.03405	8.3
81.07059	100.0
82.36521	5.3
83.04980	6.5
83.08631	5.2
85.02916	17.9
85.06542	9.0
87.04414	5.1
89.17535	5.0
91.05478	35.6
93.07056	77.1
93.59937	4.8
95.04964	18.6
95.08607	44.7
97.02909	8.2
97.06542	14.0
98.23345	10.1
103.05474	10.2
105.07022	66.2
107.08598	40.4
109.06532	24.7
109.10133	31.1
111.04447	8.6
111.08071	16.9
117.07034	14.4
119.08580	59.8
121.06513	9.7
121.10168	26.6
123.08060	18.6
123.11689	24.2
125.09667	13.5
127.11192	9.4
131.08575	19.1
133.06548	5.5
133.10129	65.2
135.08040	6.7
135.11664	12.0
137.05983	21.2
137.09627	18.7
139.11163	6.8
143.08572	10.6
145.06531	12.9
145.10104	28.6
147.11674	25.7
149.09633	7.7
149.13249	9.1
151.11223	20.7
153.09135	7.8
155.07060	7.1
155.10684	9.6
157.06462	5.5
157.10146	12.5
159.08067	5.2
159.11719	25.1
161.06088	7.4
161.09637	6.3
161.13281	10.8
163.07602	6.9
163.11209	7.5
165.09099	11.3
167.07050	74.9
173.06027	10.9
173.13280	11.2
175.11180	7.8
175.14819	9.1
181.04938	41.2
191.07031	10.8
191.17967	9.3
193.12154	8.0
193.15771	8.9
193.29346	5.6
201.16429	16.8
207.10155	15.7
219.17441	39.1
219.83173	4.9
225.11139	10.8
233.08131	6.5
235.16937	22.9
237.18544	12.9
277.14404	6.0
295.15442	8.4
363.21484	7.1
387.14261	9.7
417.15637	26.8
418.25958	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	417.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
60.29649	11.9
69.03442	18.4
69.07092	21.5
70.54424	31.1
71.05003	39.0
73.33825	12.8
79.05501	38.9
81.07059	45.0
89.19168	12.9
91.05487	36.3
93.07063	26.5
95.08620	38.5
97.06577	17.5
105.07017	83.4
107.08611	41.0
109.10169	27.2
119.08565	22.5
121.10122	34.4
125.09646	40.9
131.08554	20.9
133.10129	92.2
143.10683	40.5
145.10199	26.4
147.11711	23.7
149.13257	31.8
150.06761	17.0
151.11223	13.7
165.09145	27.0
167.07048	100.0
167.14366	48.7
181.05016	45.3
191.06979	17.7
204.14767	12.7
219.17514	52.4
261.80469	12.3
396.05936	13.6
417.15338	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	417.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67545	13.5
65.37733	14.5
69.33391	14.3
69.44196	100.0
78.57520	17.3
84.08135	36.0
88.95647	14.1
93.07051	21.5
95.08590	22.1
95.23494	13.4
97.06555	18.3
98.23280	33.0
105.06996	35.1
109.10173	17.7
117.07013	15.0
131.08623	14.5
133.10121	33.6
143.10666	17.2
163.07527	14.4
167.07042	79.4
167.14204	18.1
181.04953	22.0
219.17293	26.9
288.92755	15.6
339.29678	15.2
387.14136	25.5
410.57022	15.5
424.33496	15.0
434.35220	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	417.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.4
55.01869	5.9
55.05508	11.2
57.03425	4.7
57.07084	20.9
59.04984	3.3
65.03939	5.2
67.05508	15.8
69.03424	14.7
69.03803	5.2
69.04211	18.9
69.07072	11.2
71.05000	15.7
75.13325	3.0
78.04723	5.0
79.05501	19.8
81.03419	9.5
81.07057	44.2
83.05005	4.4
83.08594	5.5
85.02897	11.4
85.06569	2.8
91.05495	12.7
93.07043	34.3
95.04967	9.8
95.08606	27.3
97.02894	5.3
97.06546	7.4
97.10173	4.2
98.23344	6.0
99.08116	4.9
103.05441	5.1
105.07026	27.8
107.04964	8.9
107.08588	19.7
107.98634	2.6
109.02854	4.3
109.06528	11.5
109.10170	21.0
111.04454	4.5
111.08096	9.5
115.05409	5.7
117.07045	10.0
119.08572	23.5
121.06501	8.0
121.10175	19.1
123.04446	43.0
123.08088	11.4
123.11718	10.4
125.06031	4.4
125.09627	6.6
127.11210	6.0
128.06267	2.9
129.06982	3.7
131.04907	5.1
131.08543	8.5
133.06514	4.2
133.10139	24.9
135.08072	4.8
135.11708	9.2
137.06006	9.2
137.09622	6.7
139.03926	21.7
139.11168	3.6
141.30139	3.1
143.08545	4.6
145.06493	11.9
145.10182	15.9
147.04398	6.5
147.08073	3.3
147.11702	15.6
149.09621	3.7
149.13322	5.2
151.03917	13.4
151.07584	4.3
151.11217	5.1
155.06046	6.1
155.08554	2.6
155.10666	4.2
157.10159	6.7
159.08023	5.9
159.11740	9.5
161.06015	5.1
161.09669	6.8
161.13292	5.4
163.07530	6.4
165.05464	5.4
165.09100	3.1
167.07048	100.0
168.07426	3.9
173.05988	14.3
173.09601	4.6
173.13281	4.8
175.07622	4.6
175.14911	3.6
179.07126	2.8
181.04968	55.1
183.11684	3.3
185.13362	3.0
189.09175	3.1
189.12814	4.6
191.07013	12.4
191.10687	4.9
191.17999	3.1
193.08585	5.9
195.06548	5.7
197.13057	3.0
199.14621	2.6
201.16386	9.3
207.10214	4.1
217.12363	3.2
219.17500	17.3
225.11153	3.6
233.08066	10.7
235.09666	4.7
235.16875	6.1
237.09421	3.5
237.18468	7.0
246.88574	3.7
291.08743	5.8
295.15540	4.0
340.06879	2.6
387.14380	11.7
399.32733	4.9
417.15289	28.2
417.26202	3.8
417.33792	5.5
418.14978	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	417.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.9
54.00776	2.8
55.01867	7.7
55.05512	3.9
57.03461	3.8
65.03930	4.1
67.05521	7.8
69.03425	9.0
69.07061	8.4
70.06591	3.6
71.04992	15.7
71.31573	5.1
73.02965	3.1
73.06570	4.3
79.05501	10.9
81.03410	9.6
81.07053	8.1
83.04980	7.2
85.02892	17.3
85.06552	5.8
86.09715	4.4
89.06032	3.9
91.05486	11.3
93.07029	8.9
95.04969	5.3
95.08610	7.3
97.02901	8.1
97.06528	4.5
97.10184	4.5
99.04449	9.6
99.78969	2.8
103.05476	12.8
105.07021	23.0
107.04967	9.0
107.08595	13.4
109.02872	9.3
109.06535	5.2
109.10165	9.7
115.05459	9.6
117.07022	10.6
119.08543	17.9
121.02834	8.9
121.06516	5.9
121.10145	5.5
123.04453	19.7
125.09629	17.4
127.03904	5.4
127.11176	11.3
129.07024	3.7
131.04962	9.1
131.08528	3.3
133.06557	5.2
133.10155	8.9
135.08008	4.9
137.05977	30.9
143.10680	54.1
145.06468	14.2
145.10150	15.7
147.04413	5.1
147.11700	4.2
149.05989	7.4
151.03951	9.5
151.07578	8.9
155.06029	4.8
159.11632	3.6
161.06004	34.3
163.03912	5.7
163.07567	11.9
164.08240	4.7
165.09114	10.8
166.08627	4.1
167.07050	100.0
172.66957	3.1
173.06046	15.7
173.13397	4.3
175.07544	11.3
179.08463	3.7
181.04967	38.8
182.07394	3.5
182.43288	3.0
187.07547	5.1
189.05446	5.2
191.06999	4.1
193.08633	5.8
201.16412	3.9
203.07048	5.0
205.08630	3.8
215.06996	5.9
219.09979	3.0
219.13739	4.1
219.17418	10.3
225.10320	4.6
233.08044	8.4
235.09628	4.2
237.14818	11.8
237.18582	3.2
255.19466	4.5
264.85211	3.1
267.11118	10.2
285.11176	29.5
295.10709	7.8
299.12881	3.5
309.11240	3.9
313.11765	13.7
324.13617	3.8
339.12323	6.1
340.13016	5.3
341.11316	6.2
342.14661	10.4
358.13977	14.2
386.13504	28.0
387.14441	7.1
399.14221	5.2
399.19492	3.9
407.34027	4.2
417.16537	58.2
418.16083	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	417.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.8
55.01882	5.0
55.05519	16.8
57.07077	31.8
65.03941	5.9
67.05495	16.0
69.03435	8.5
69.07063	14.6
69.61275	3.0
71.04988	19.0
71.82966	3.4
79.05489	18.0
81.03448	7.4
81.07050	46.3
83.04981	6.1
83.08630	6.8
85.02901	11.0
85.06565	4.3
91.05476	19.2
93.07043	43.9
95.04951	10.9
95.08609	24.5
96.08946	4.2
97.02920	4.8
97.06564	4.2
97.10172	4.7
98.22497	5.3
99.04479	4.5
103.05465	6.4
105.07029	32.1
106.04153	3.8
107.04953	11.3
107.08572	21.5
109.02875	6.8
109.06525	9.9
109.10129	17.9
111.04433	3.7
111.08082	7.9
115.05447	5.9
117.07027	12.2
119.08566	29.7
121.06506	8.5
121.10135	12.5
123.04431	53.9
123.08071	11.7
123.11687	9.1
125.09644	4.8
127.11173	6.7
131.04929	8.8
131.08580	11.7
133.06468	5.0
133.10127	28.6
135.04436	4.5
135.08038	6.5
135.11714	8.0
137.05989	12.8
137.09651	10.4
139.03893	29.0
143.08565	4.0
145.06471	13.3
145.09100	4.0
145.10132	15.3
147.04381	5.9
147.11676	15.2
148.05310	4.3
149.09630	3.5
149.13281	5.1
151.03915	14.4
151.07544	4.6
151.11198	9.3
153.09062	4.7
157.10158	7.3
159.08011	5.6
159.11681	15.7
161.06059	5.7
161.09634	9.5
161.13280	5.5
163.03894	4.1
163.07570	7.9
163.11163	7.7
167.07033	100.0
171.11682	7.6
172.05225	3.7
173.06015	13.7
173.13226	4.4
175.11157	4.7
177.09085	4.1
179.10483	3.2
181.04953	44.4
187.11234	3.5
191.07016	12.1
191.14514	4.0
201.16400	11.5
205.08615	9.4
207.10295	3.9
219.17487	18.7
228.96480	4.2
233.08105	10.0
235.09531	4.5
235.16934	4.9
236.01405	3.8
237.18492	8.0
243.12080	3.8
259.13226	4.1
291.08514	7.6
358.44211	3.7
387.14243	12.9
399.32391	5.5
400.29996	3.4
417.15350	42.3
417.33578	6.5
440.26044	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	417.2632
Annotation	Macrolactin M
Peak:m/z	Relative Intensity
52.61964	1.6
53.03944	2.7
55.01870	2.0
55.05511	4.6
56.26079	1.4
57.81214	1.6
67.05504	12.0
69.01846	6.6
69.02274	9.7
69.03426	7.0
69.07066	8.8
71.04979	7.3
79.05502	11.2
81.07052	26.3
83.01326	1.9
83.04976	2.7
83.08607	2.4
89.40934	1.5
90.10110	1.5
91.05479	7.3
93.07045	17.3
95.04955	3.4
95.08608	15.7
97.06519	6.6
98.23335	3.3
105.07007	9.3
107.04989	2.8
107.08577	14.3
109.06487	4.0
109.10139	10.2
113.05985	6.2
117.07029	2.9
119.08568	9.0
121.06468	5.2
121.10146	14.1
123.04427	6.4
123.08039	3.4
123.11695	6.1
125.05956	1.9
129.06999	2.4
133.06496	11.3
133.10135	11.4
135.08032	3.5
135.11699	15.6
137.06026	2.5
137.09648	2.0
137.13261	4.1
139.07574	2.7
141.05481	4.7
142.07799	2.3
143.08562	3.8
145.10155	2.1
147.08020	2.4
147.11676	9.1
149.05998	10.4
149.09557	2.1
151.03856	2.2
151.07524	12.0
153.05435	2.9
156.09343	2.5
157.10164	2.1
159.08066	2.0
161.09659	3.3
161.13202	2.0
163.07545	2.6
165.05560	2.3
165.09105	3.2
165.16243	1.9
167.07060	2.7
172.29124	1.5
174.10378	2.4
175.07553	7.2
175.11182	6.0
175.37973	1.6
177.09009	2.3
179.07007	3.9
181.10091	2.1
185.09630	4.9
187.07474	2.7
189.09096	6.5
189.12770	3.8
189.16400	6.2
191.07016	3.7
191.17940	4.3
192.07678	1.9
193.08618	17.9
193.12299	5.2
195.06619	2.2
199.11201	5.7
203.07036	4.1
203.10632	8.6
203.17963	2.1
205.08618	12.7
207.10156	4.4
211.03859	1.5
211.09683	5.4
217.08623	2.7
217.12184	17.2
219.10185	2.4
221.08093	6.1
221.11717	4.4
223.09555	8.2
227.10707	10.0
230.09392	4.8
231.13823	1.8
231.17398	6.5
235.09647	3.9
235.13287	38.3
237.11238	2.5
239.09084	1.7
245.11725	47.4
246.12027	1.8
249.11261	2.0
257.11902	1.8
259.13333	2.3
263.12778	100.0
264.13211	7.9
265.14386	2.7
266.23099	1.7
277.14236	2.8
280.76239	1.7
281.13828	94.8
282.14169	3.9
303.12262	5.4
311.20215	2.9
329.17456	4.2
329.20956	3.8
339.19455	3.8
343.18988	4.8
347.22189	2.3
357.20520	18.5
357.24329	2.5
358.20792	2.4
361.20261	2.4
362.86490	1.8
366.87610	1.9
371.25714	3.6
381.24118	7.8
399.25317	28.1
400.25775	3.5
417.26447	38.7
418.26959	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	417.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.6
55.05499	6.8
57.07075	5.9
57.47744	1.7
67.05509	18.0
69.03416	8.9
69.07076	10.4
71.04984	5.8
71.53902	2.1
79.05499	14.9
81.07060	31.2
81.18516	2.1
83.08607	5.5
91.05472	8.6
93.07050	19.1
95.04974	7.0
95.08601	19.9
97.06525	5.7
97.10152	3.0
104.07104	7.6
105.07011	15.8
107.04961	2.4
107.08596	14.1
109.06502	5.0
109.10152	10.7
111.08104	2.3
113.06005	6.5
117.07027	2.9
119.08565	10.2
121.06479	6.7
121.10152	11.5
123.04430	5.3
123.08049	4.4
123.11697	6.5
125.05979	2.3
131.08582	4.2
133.06512	10.0
133.10143	10.4
135.08020	2.5
135.11696	15.0
137.06013	2.9
137.09590	4.4
137.13252	2.8
141.05453	4.1
142.07753	2.7
145.10100	5.0
147.07993	5.0
147.11684	8.5
149.05956	13.1
151.07518	11.1
152.11398	2.3
153.05441	5.0
157.10149	4.1
160.08913	2.4
163.07529	3.4
163.14798	3.4
165.09108	3.1
167.07001	4.0
171.11627	2.7
175.07582	8.6
175.11209	6.3
176.08238	2.2
177.09096	3.6
179.06909	2.1
185.09671	3.6
187.07619	2.4
189.09073	4.8
189.12721	5.9
189.16383	6.6
191.07028	4.5
191.17981	4.7
193.08624	14.5
193.12202	4.8
195.06557	4.1
199.11136	6.0
203.07069	2.5
203.10703	5.6
205.08582	12.8
207.10226	2.6
209.09718	2.7
211.09683	4.5
215.07286	2.2
217.08508	2.2
217.12277	14.7
217.24727	2.4
219.10216	2.7
221.08092	6.7
221.11787	4.2
223.09622	7.7
227.10658	9.5
230.09465	3.4
231.17464	4.2
233.18942	2.4
235.09624	4.3
235.13298	30.3
239.09096	3.1
244.10953	2.7
245.11732	41.7
259.13385	2.2
262.68158	2.1
263.12799	100.0
264.13098	6.4
269.15369	2.2
277.14270	6.4
281.13837	71.7
282.14313	4.8
287.16168	2.3
297.18454	2.4
329.17517	2.9
329.21146	6.8
339.19434	4.4
343.19052	4.1
357.20557	19.0
381.24149	8.1
399.25412	29.5
399.85187	2.1
400.25299	2.5
417.26505	36.9
418.26376	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	417.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.2
55.01866	4.0
55.05510	17.1
57.03431	10.2
57.07068	8.8
65.03929	2.7
67.05502	37.4
69.03436	3.1
69.07071	18.8
69.58601	13.2
71.04998	8.6
77.76323	2.2
79.05490	30.1
81.03413	11.3
81.07056	58.9
83.04981	2.9
83.08618	10.7
85.02907	54.6
85.06542	9.4
91.05473	28.1
91.21686	2.2
93.07040	58.2
94.07410	2.8
95.04959	17.2
95.08609	85.8
96.08929	2.8
97.06535	8.8
97.10178	9.3
98.22689	4.6
99.04441	4.1
99.08090	3.5
105.04469	2.4
105.07033	47.6
106.07375	3.2
107.04942	6.3
107.08590	70.0
108.08951	2.8
109.06495	6.9
109.10149	48.1
111.04458	3.2
111.08092	7.2
113.06003	9.1
117.07020	8.9
119.04976	3.2
119.08585	50.6
121.06540	7.4
121.10142	59.6
123.04420	3.2
123.08054	20.7
123.11711	27.2
125.05961	3.9
125.09602	4.2
129.06990	5.0
131.04913	2.5
131.08549	16.0
131.60347	2.6
133.06483	3.8
133.10130	29.0
135.08051	10.1
135.11688	51.2
137.06000	3.4
137.09628	9.2
137.13281	8.1
141.09088	31.0
142.09494	2.8
143.08580	8.7
145.06403	3.4
145.10130	19.7
147.11697	22.2
149.05994	2.5
149.09610	9.7
149.13274	16.6
151.03925	6.6
151.07570	4.3
151.11165	3.4
153.09158	3.1
153.12805	3.3
155.08607	3.7
157.10149	8.2
158.10690	2.3
159.11696	21.9
161.06024	3.0
161.09630	8.2
161.13268	20.3
163.07542	9.6
163.11183	5.8
163.14803	16.1
165.09123	3.4
165.12762	2.9
167.07062	10.9
169.10112	3.4
171.11697	5.9
173.09698	4.4
173.13281	10.7
175.14848	11.1
177.09033	5.8
177.12825	3.1
177.16403	5.5
179.10663	4.8
181.04979	24.2
181.08621	8.0
183.11688	3.1
185.13303	9.2
187.14809	8.1
189.09145	4.9
189.16373	17.0
191.07143	4.0
191.14262	5.7
191.17950	37.5
192.18378	2.8
193.08437	2.6
193.12321	2.7
195.11734	3.4
197.13208	4.1
199.11304	3.0
199.14801	6.0
201.12798	2.7
201.16348	5.3
203.14230	3.0
203.17966	9.2
207.17508	3.6
213.16351	4.9
215.14375	2.6
215.17867	3.4
217.19540	6.6
219.13776	7.7
223.14905	3.0
227.17934	3.4
229.19623	4.3
231.21066	4.4
235.13275	3.9
237.14841	3.7
253.19466	3.1
259.09683	3.6
271.24142	5.4
280.28543	2.6
283.20541	3.2
287.12476	2.7
335.27518	3.5
353.28400	18.3
371.29413	36.2
372.29916	6.4
381.28000	12.5
399.29025	8.0
417.18378	5.9
417.22668	19.7
417.29791	100.0
417.33917	49.4
418.30154	8.6
418.34726	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	417.3362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.01882	0.5
55.05511	4.2
57.03445	1.0
67.05511	6.0
67.44126	0.5
69.03419	0.6
69.07068	6.4
69.12603	4.9
71.05011	0.7
71.79187	0.5
77.03810	0.6
79.05504	2.4
81.07057	10.6
83.08614	2.6
85.06542	100.0
86.06866	2.1
91.05485	3.9
93.07047	6.9
95.04958	0.8
95.08603	12.1
96.08955	0.5
97.06528	0.8
97.10191	1.5
99.08091	2.0
103.05469	0.8
105.07043	5.8
107.04224	0.5
107.04971	2.1
107.07930	0.9
107.08604	10.0
109.10146	8.2
111.08088	1.0
111.11740	0.8
113.09668	0.7
115.05434	0.5
117.07031	1.6
119.08582	6.0
121.02919	0.5
121.10146	9.8
123.04434	1.4
123.08092	0.7
123.11700	5.3
129.07040	0.8
131.04895	0.8
131.08556	3.0
133.10124	5.2
134.06947	0.6
135.04437	0.8
135.11679	5.6
137.05936	0.6
137.09618	1.4
137.13243	0.9
141.12756	1.1
145.06488	1.5
145.10132	2.7
147.11693	3.8
149.09612	0.9
149.13271	3.2
151.11212	0.8
157.10107	1.3
159.11682	4.1
161.13231	3.3
163.11179	0.6
163.14815	2.6
165.05547	1.0
167.07043	14.0
168.07527	0.8
171.11720	1.1
173.06003	2.3
173.13297	2.7
175.14850	2.3
177.12726	1.6
177.16339	0.8
179.14343	0.6
181.04979	6.1
182.05380	1.5
185.13348	0.7
187.14825	2.3
189.16405	2.0
191.07063	1.0
191.14345	2.2
191.18030	2.1
195.06557	0.8
195.11708	0.7
196.15765	0.7
199.14825	0.8
201.16389	1.0
203.14375	0.9
203.17958	1.5
205.19728	0.5
207.17470	0.6
209.15251	0.5
213.16284	0.7
215.18037	1.1
217.12393	0.5
217.19490	1.4
229.14380	1.1
229.19547	1.2
233.08145	1.1
235.09549	0.7
269.96399	0.5
273.22388	0.5
303.23129	0.8
356.12381	0.6
371.25800	0.7
371.33179	1.0
381.31519	2.3
386.13159	0.9
387.14435	1.7
399.27896	0.8
399.32629	12.5
400.32748	0.9
417.15350	3.0
417.22375	1.1
417.28946	0.8
417.33804	8.6
418.33798	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57882	6.1
55.06435	5.7
59.26907	6.9
69.03316	63.4
70.06551	6.4
79.05497	6.0
79.97731	6.0
87.04449	10.4
89.74081	6.5
91.05476	6.6
95.10258	6.8
100.69112	6.4
107.04940	100.0
123.04407	7.4
153.01790	6.3
167.07066	8.4
181.04971	11.4
191.07155	8.5
193.04871	6.5
197.08086	6.5
249.00063	6.3
259.06168	8.5
262.00537	6.1
287.09055	6.3
341.10214	10.7
353.10184	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	418.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57882	6.1
55.06435	5.7
59.26907	6.9
69.03316	63.4
70.06551	6.4
79.05497	6.0
79.97731	6.0
87.04449	10.4
89.74081	6.5
91.05476	6.6
95.10258	6.8
100.69112	6.4
107.04940	100.0
123.04407	7.4
153.01790	6.3
167.07066	8.4
181.04971	11.4
191.07155	8.5
193.04871	6.5
197.08086	6.5
249.00063	6.3
259.06168	8.5
262.00537	6.1
287.09055	6.3
341.10214	10.7
353.10184	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	418.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44142	2.5
53.03938	2.3
55.05503	4.5
57.03432	2.6
57.20481	2.1
61.02936	2.2
67.05506	4.1
69.03432	10.9
69.09153	24.6
69.95760	2.5
71.04971	3.2
79.05489	8.6
80.43441	2.2
81.03426	2.4
81.07047	4.3
85.02892	13.6
91.05460	15.3
93.07071	5.3
95.08596	3.2
97.02927	2.6
103.05423	2.4
105.07024	36.4
106.07323	2.3
107.04945	3.3
107.08584	15.8
109.06492	3.8
109.10136	3.4
115.05441	2.8
117.07031	7.8
119.08577	28.6
121.06492	55.7
121.10149	9.0
123.04456	3.2
123.08057	8.4
128.06192	4.1
129.07027	4.8
131.08572	10.2
132.09372	2.2
133.10124	15.0
135.08041	30.5
137.05916	2.7
142.07797	9.7
143.08530	6.8
145.06502	4.0
145.10147	3.4
147.08051	7.7
147.11670	31.8
149.06038	2.4
149.09613	7.2
151.11237	3.0
157.10123	18.2
159.08118	5.4
159.11705	6.9
160.08809	5.0
161.05969	2.7
161.09619	31.3
167.07057	7.4
167.10652	3.6
175.11171	74.2
175.12610	4.5
176.11531	2.7
177.09105	31.0
179.10669	3.6
181.05022	2.8
185.09659	6.8
190.08182	2.9
193.12163	13.5
195.10139	2.7
203.10677	23.9
221.11711	100.0
222.12068	5.2
266.10184	9.3
278.10007	3.2
296.62402	2.9
330.10822	4.0
418.16718	4.7
419.19064	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	418.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37199	4.0
52.30105	4.7
55.05506	4.6
57.03421	7.9
66.78845	5.4
67.38277	4.4
69.03431	4.3
70.63747	10.7
79.05486	11.1
81.07033	6.9
85.02917	10.7
86.34656	4.4
91.05453	8.9
93.07043	6.4
95.08626	5.0
105.03397	8.8
105.07030	35.8
106.07328	5.3
107.04949	18.3
107.08570	9.4
109.06606	5.7
110.67776	4.2
119.04887	4.7
119.08531	7.0
121.06523	9.1
121.10157	8.6
123.04406	17.8
133.06471	37.2
135.04385	7.0
137.05957	33.4
139.03854	4.8
147.11665	12.7
149.05957	7.7
150.06764	59.4
151.03928	6.2
153.01785	17.6
157.10005	7.0
163.07539	18.8
164.88132	4.5
165.09108	100.0
167.07036	41.3
168.07338	12.3
175.11166	12.7
181.04953	13.1
181.08585	10.2
209.07962	7.3
221.11696	15.3
223.06027	6.3
239.12767	50.8
273.94455	4.2
326.53458	4.5
388.14417	4.8
400.88318	5.4
419.13110	7.5
419.14020	7.6
419.20346	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	418.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72963	2.9
53.03950	13.3
55.05512	39.4
56.73038	2.7
57.03434	6.6
57.54905	2.2
59.05004	93.2
61.02914	8.7
67.05515	2.9
69.03434	39.9
69.13745	25.4
71.04990	3.2
73.02910	3.9
81.03413	28.0
81.07072	8.2
83.04978	53.9
83.05438	3.7
85.02904	59.5
91.05514	6.5
93.07059	3.6
95.04984	5.3
95.08610	3.2
97.02887	60.2
99.04456	11.7
101.06020	100.0
101.06657	6.1
103.03973	8.3
103.05496	3.2
105.07022	4.1
107.04955	5.6
109.02889	27.1
113.05966	2.6
119.07052	49.1
121.06509	19.8
123.04440	4.1
125.06024	3.1
127.03927	44.4
137.05995	5.1
137.09668	3.6
143.07051	8.3
145.04961	43.5
149.05960	3.4
163.07547	5.0
163.46185	3.5
167.07053	21.7
168.07387	12.2
171.06529	3.2
181.05011	9.3
181.08630	8.1
185.08063	4.2
187.06009	12.2
187.07552	5.6
191.07152	5.8
205.06995	5.2
205.08727	4.5
209.08038	8.5
211.05128	5.2
221.11803	7.4
227.09198	19.2
229.08588	6.3
239.12814	4.2
245.10214	50.2
246.10474	3.6
247.09741	9.5
249.11249	3.8
263.11349	4.5
269.45148	2.6
292.55518	2.8
418.16403	3.5
419.18481	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	418.207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	1.4
53.03942	7.2
53.63371	0.7
55.01859	2.4
55.05500	2.5
57.03434	1.9
57.07059	3.2
61.02913	1.6
63.62141	0.7
63.73406	0.8
65.03931	1.7
65.25967	0.8
67.05489	2.9
69.03424	11.7
69.07053	2.7
69.73139	3.4
71.04979	1.3
73.02907	2.1
77.03919	1.0
79.05487	50.0
80.05815	1.8
81.03411	8.3
81.07051	3.3
85.02901	29.8
87.00822	11.5
91.05470	19.7
93.07035	100.0
94.07375	2.4
95.04964	7.1
95.08632	0.9
97.02879	9.3
98.23248	1.0
98.35603	0.7
99.04448	4.8
103.05426	1.4
105.01856	18.8
105.04520	3.1
105.07045	3.6
107.04942	1.5
107.08582	39.3
108.04468	1.3
108.08908	2.4
109.02873	9.5
115.05428	1.1
117.01840	1.3
117.07008	1.3
119.08585	1.0
121.10204	1.0
123.04452	1.0
126.05486	0.8
127.03905	22.5
128.04286	0.8
128.06218	0.7
129.01825	1.0
129.06990	0.8
131.04938	1.2
132.05182	0.8
133.10074	0.9
135.11676	48.9
136.12019	2.7
137.05957	0.8
137.80283	0.8
141.05457	0.8
145.04939	10.3
145.06143	0.8
145.06511	0.7
147.02855	1.5
147.11620	1.0
148.05182	0.7
152.14348	3.4
159.02875	6.0
159.11638	0.7
167.07031	13.7
168.07367	9.4
173.05997	1.3
174.06351	1.1
181.04938	9.4
182.05322	4.6
191.07053	1.9
192.07408	2.2
209.08052	0.7
213.03928	1.5
231.04959	6.8
233.08018	1.4
234.08376	1.4
249.06059	2.5
388.14783	2.7
418.15530	4.9
419.15976	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78114	6.7
55.05497	23.1
57.03444	12.7
67.05506	82.1
69.07063	41.7
70.60439	23.0
78.38343	8.5
79.05494	51.1
81.07042	52.6
83.05054	11.1
83.08622	16.1
85.06544	14.3
91.05450	16.1
92.05788	9.6
93.07052	72.4
95.04971	12.0
95.08604	42.2
97.06545	16.5
97.10147	15.3
103.72919	8.6
105.07035	23.1
107.04946	20.4
107.08573	39.7
109.10137	62.1
111.08088	9.9
111.11674	9.2
112.80206	8.1
119.08573	35.5
120.08839	10.2
121.10132	73.5
122.10445	10.1
126.01908	7.8
127.02672	8.6
131.08537	23.4
133.10117	17.9
135.11694	42.8
137.09615	7.9
139.11182	25.0
143.08601	15.5
145.10115	42.5
147.11653	16.0
147.21524	7.6
149.09651	18.6
159.11604	13.7
162.61031	8.9
163.11182	39.9
167.07008	25.2
173.09637	19.5
173.11717	21.2
181.12056	10.7
191.07146	8.6
191.10626	19.8
196.12630	8.4
199.14781	9.2
209.07863	8.5
209.11646	17.8
227.12730	74.0
229.14317	66.7
245.13829	76.0
281.21875	8.6
347.22342	20.8
365.23285	57.0
383.24237	100.0
383.77585	9.4
384.24390	13.7
418.16193	10.1
419.29071	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	418.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.0
57.03437	6.1
57.07072	4.1
58.06597	29.6
59.05001	0.7
59.07376	9.5
60.08163	9.1
67.05500	4.7
69.07038	1.2
69.51508	2.3
71.05005	0.5
71.08633	2.1
73.02893	0.9
73.56607	0.3
75.04476	4.0
75.43427	0.3
79.05470	0.9
81.07051	2.5
83.08595	0.9
84.08109	0.7
85.02874	1.7
85.06509	0.6
85.10159	1.4
87.04047	0.4
87.04468	4.9
91.05470	1.1
93.05526	0.4
93.07007	1.3
95.08595	3.0
97.10174	0.8
98.23222	0.4
99.71965	0.4
100.11271	0.4
103.03889	0.6
105.05511	0.8
105.06987	0.8
107.04919	1.6
107.08538	0.5
109.06519	0.5
109.10151	3.7
113.05983	0.5
119.08536	1.2
121.06480	0.5
121.10118	0.5
123.04402	0.9
123.11679	0.7
127.44029	0.4
130.07697	0.4
131.07034	2.0
131.08557	0.6
133.10149	0.5
135.08014	0.4
135.11658	0.5
137.05948	0.8
143.08528	0.4
144.10188	8.4
145.10120	0.8
147.11699	0.4
162.11246	4.6
163.07462	0.7
163.11215	0.5
167.07021	4.5
169.08582	0.5
173.09581	1.0
173.11687	0.7
181.04907	1.7
181.08618	3.4
191.10687	0.5
195.10144	1.1
201.09050	1.0
209.11674	0.7
218.13850	0.7
219.10124	0.9
228.47411	0.4
229.14392	2.6
233.11653	0.5
236.14911	100.0
237.15273	4.7
240.73996	0.4
247.13330	0.8
247.90591	0.4
251.12726	1.5
257.21075	0.9
265.14297	1.0
356.31555	0.6
365.23041	0.8
383.24182	1.2
400.30518	24.4
401.30948	2.4
418.31601	55.8
419.32190	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	419.097
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	1.0
53.03960	0.6
55.01871	1.3
57.43985	0.6
63.91548	0.5
68.99772	0.7
69.03408	1.3
70.06570	1.3
71.32243	0.5
71.32644	1.0
71.58697	0.5
79.01843	5.5
79.05474	1.2
81.03402	1.5
81.07021	0.6
85.02876	1.0
87.67805	0.5
91.05463	2.3
91.31588	0.6
93.07052	0.7
97.02885	2.4
99.94775	0.6
105.07044	2.0
106.19746	0.6
107.01297	1.8
107.04924	0.7
109.02875	2.6
111.04436	1.6
115.05447	9.6
116.05692	0.7
117.06990	0.7
118.04176	0.6
119.04926	2.2
121.02856	1.2
123.04401	1.4
125.02338	4.4
131.04906	1.4
133.06462	2.2
135.04376	0.8
137.05965	5.4
139.03918	4.1
143.03374	6.6
143.04895	5.4
144.05655	0.8
147.04430	5.0
147.08022	0.7
148.07486	0.8
149.02347	0.6
151.03868	2.8
151.07567	1.8
153.01810	100.0
153.02867	4.7
154.02144	3.3
154.03204	0.6
157.10146	0.5
159.04445	0.7
160.05161	2.6
161.05960	3.0
163.03929	1.7
163.07510	0.7
165.05449	1.2
165.09157	1.7
167.03372	2.4
171.03036	1.0
171.04370	5.0
175.03886	1.2
175.07509	3.7
177.05476	9.1
177.09036	0.6
179.03392	1.1
179.07011	1.6
187.07559	0.6
188.04674	1.5
189.05370	2.4
191.07066	1.3
192.07304	0.8
195.10107	3.5
199.03888	2.5
201.05365	0.6
203.06992	13.7
204.07420	0.8
205.04962	2.5
205.08549	1.1
207.06505	3.7
213.03897	1.1
217.05029	1.7
221.08026	1.5
223.09621	2.3
231.06497	26.2
232.06850	1.6
242.08060	1.2
249.07539	14.0
251.05504	2.4
257.13788	1.1
267.08597	3.7
278.10120	1.1
317.08389	2.2
419.08231	2.4
419.15219	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	419.0971
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
55.01854	1.2
57.03447	0.9
61.02928	2.2
65.03953	0.9
66.47450	0.7
68.99796	0.8
69.03416	0.8
71.32652	1.1
73.02915	11.5
75.83546	0.6
79.05522	0.8
79.06021	0.7
85.02887	1.1
91.05466	1.7
93.07006	0.7
95.04977	1.9
103.05425	1.1
105.03384	0.8
105.07053	1.5
107.04972	1.7
107.08584	0.8
109.02882	1.1
111.00822	0.9
115.03914	1.4
115.05470	0.9
121.02870	2.8
123.04419	1.7
128.06108	0.7
129.06995	0.9
133.02869	1.1
135.04372	0.9
137.02327	1.1
140.67198	0.7
145.06482	1.1
147.04439	1.1
153.01840	4.9
157.06377	0.8
165.01884	1.7
167.07053	2.9
173.05980	1.8
177.05437	1.0
181.04932	2.8
183.06497	1.7
187.07578	0.8
191.06990	0.7
193.08528	1.0
203.06985	0.8
204.07628	1.0
205.08516	1.9
209.06136	0.8
213.05434	1.8
217.08502	1.1
219.10130	2.1
231.06483	1.1
231.10191	2.1
234.06856	0.9
241.04997	1.4
249.11316	1.1
258.05237	1.1
259.05930	0.9
277.08871	0.7
287.05484	100.0
288.05820	7.3
295.09622	0.8
353.06244	0.9
369.13229	0.9
401.15851	4.2
419.13324	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
58.20654	9.0
70.76428	9.3
71.32328	19.1
72.55871	9.4
79.05480	21.2
81.07104	9.1
85.02912	7.8
91.05474	18.3
98.07635	8.7
103.05503	9.9
105.07022	9.3
107.04974	16.9
107.62969	8.2
121.06534	9.4
123.04445	12.8
129.07004	10.4
131.04906	11.8
131.08600	8.5
137.40768	8.4
138.73492	7.8
141.07100	10.0
161.06000	11.3
167.07034	100.0
177.05519	11.6
177.09137	12.0
181.04929	17.1
181.08636	26.2
247.09694	14.5
269.08078	13.9
282.08752	15.7
307.65738	10.3
315.08685	54.2
330.11029	75.4
351.12219	11.7
383.14886	20.2
419.12805	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	419.1696
Annotation	Comazaphilone F
Peak:m/z	Relative Intensity
53.03930	0.5
54.27523	0.2
55.01856	0.3
55.05494	0.7
65.03940	4.2
67.05505	1.7
68.99803	0.2
69.03422	0.9
69.07071	0.2
69.27757	0.4
69.28174	0.9
71.78323	0.2
79.05485	0.4
82.00537	0.3
82.04198	1.3
83.04974	1.1
85.02909	2.6
91.05463	0.8
93.03399	1.1
93.07027	0.4
95.04951	1.0
97.02901	0.4
97.06536	1.4
103.05473	0.3
107.04937	1.1
108.02080	0.8
110.03654	2.1
111.04417	0.6
114.03157	0.2
115.05436	0.2
116.22260	0.2
117.06999	0.5
119.08555	0.2
121.06475	0.8
123.00808	0.2
123.04438	0.3
125.05982	1.3
127.00296	0.2
129.06960	0.5
131.04906	0.2
131.08554	0.9
131.30536	0.2
137.02271	0.2
138.03096	1.3
139.03955	0.2
141.06990	0.3
142.02602	2.2
144.05678	0.6
145.06468	0.4
149.05965	0.2
149.09576	0.4
153.05475	2.0
154.06258	0.4
158.07278	0.3
159.08060	1.3
161.05934	0.3
165.09160	0.3
167.07027	2.7
171.06529	2.9
173.05952	0.3
177.05432	0.4
177.09093	0.8
179.07005	0.3
181.04945	100.0
182.03647	0.2
182.05295	3.9
187.07506	0.7
189.05482	0.3
189.09070	0.2
190.06189	0.3
204.07787	1.0
205.08531	1.0
206.09361	0.7
209.11705	2.2
215.06984	0.4
219.10112	1.8
232.07306	0.2
233.08083	0.3
237.11162	1.6
247.09700	1.1
265.10693	60.0
266.11072	3.3
283.09851	0.2
327.12280	0.3
337.10440	0.2
341.13718	0.5
346.14304	0.4
373.16544	0.5
386.13583	0.2
401.16016	0.4
419.16965	2.6
419.28946	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.7
53.22662	0.7
55.01862	3.3
64.97132	0.9
65.03931	3.1
67.05492	1.7
67.12391	0.9
67.49454	0.8
69.37283	4.4
78.04704	2.0
79.05486	3.3
85.02886	1.3
91.05473	5.1
93.03388	1.3
93.07047	3.7
95.04954	3.4
95.08575	1.1
97.06494	0.9
98.23293	1.5
103.05474	4.9
105.03424	1.0
105.07029	3.0
106.04153	1.1
107.04943	8.8
110.03654	1.8
111.04396	0.9
119.08653	1.0
121.06496	7.8
123.04430	7.5
123.92094	0.9
124.05232	1.8
125.05998	1.0
131.04919	1.8
135.08034	3.3
137.05972	3.9
139.03908	1.4
140.04659	16.2
144.05743	1.0
144.25099	0.9
145.06496	1.1
147.04369	0.9
148.05185	1.3
149.02266	1.0
149.05977	3.3
151.03911	2.6
151.07527	1.2
152.04678	1.6
153.05441	0.8
154.06258	5.3
155.07014	21.2
156.07370	1.2
159.08020	1.9
161.05962	2.4
163.07542	8.9
166.06224	1.0
167.07030	100.0
168.07388	3.8
171.06523	1.0
173.08078	1.2
177.05457	5.9
179.07043	4.4
181.04948	29.8
181.08568	17.9
182.05266	1.1
187.07491	1.5
189.05525	1.2
191.07002	4.8
193.08554	1.1
195.10146	12.7
197.08098	8.7
203.07019	0.8
204.07828	1.6
205.08640	3.0
209.08064	19.4
210.08803	9.3
215.07053	1.1
219.10104	4.9
225.07555	12.0
237.11252	2.2
247.09662	3.0
285.34076	0.8
291.10287	1.0
319.11731	9.3
343.11575	1.2
344.12341	1.0
358.14389	1.5
370.14459	0.8
373.16620	2.0
401.15991	2.9
419.16327	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1699
Annotation	Comazaphilone F
Peak:m/z	Relative Intensity
53.03937	0.8
55.01857	1.2
65.03938	8.8
67.05505	3.7
69.03407	1.5
79.05498	3.2
81.07037	1.3
81.90517	0.7
82.04185	3.0
83.04939	0.8
85.02909	5.5
91.05457	3.5
93.03410	2.4
93.07043	1.0
95.04976	6.9
95.08621	1.1
97.06515	3.0
97.60372	0.8
98.23399	1.7
103.05447	2.6
105.07037	1.7
107.04942	4.8
107.08588	1.0
108.02103	1.5
108.88239	0.7
110.03651	2.4
111.04417	2.4
115.05460	1.5
117.07061	0.9
118.53075	0.6
119.08577	1.6
120.90446	0.7
121.06488	1.2
123.00755	0.8
123.04384	3.7
123.08104	1.0
124.05208	1.1
125.05968	2.8
128.06253	0.7
129.06987	2.4
131.04948	0.8
131.08553	2.6
133.10077	0.9
137.06000	1.0
138.03058	4.2
140.04640	0.9
141.06989	1.1
142.02620	3.9
144.05569	0.8
145.06439	1.6
145.10133	0.9
147.08023	1.8
151.03850	2.2
151.07532	0.7
153.05403	1.9
155.07036	2.0
157.06535	1.6
159.08051	3.1
159.11768	1.0
160.05147	1.6
161.05975	1.6
163.07549	0.9
164.07858	0.8
165.05362	0.9
165.09056	1.2
166.02521	0.7
167.07033	21.7
168.07390	3.4
169.07620	1.9
171.06546	4.6
171.11658	1.2
174.06654	1.0
175.07573	4.4
177.05423	2.0
179.07040	1.0
181.04944	100.0
182.05304	5.4
183.06616	3.3
187.07500	4.9
189.09059	1.2
191.07016	1.3
193.08589	0.8
203.07030	2.2
204.07735	0.9
205.08653	1.1
206.09428	0.7
209.08035	1.0
215.06992	1.7
217.08490	1.1
219.08284	0.9
219.10201	2.2
220.07262	6.9
235.09628	12.1
236.08237	1.1
247.07292	1.1
247.09631	11.5
250.54016	0.6
264.07828	1.9
265.10788	6.3
279.10135	2.1
296.10431	0.9
307.09595	4.1
311.12753	1.6
318.75427	0.7
330.79123	0.7
339.12204	3.1
346.10330	0.8
356.12561	1.6
371.14789	3.7
387.13934	0.8
389.15509	2.1
401.15894	6.7
419.16174	4.8
419.24792	1.3
419.29181	1.4
420.16965	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.0
55.01866	4.3
55.05509	4.2
57.03443	4.2
67.05497	6.2
69.07056	5.6
75.63184	2.7
79.05498	7.4
81.07049	7.4
83.08626	2.9
91.05465	19.1
93.03398	3.8
93.07052	15.9
95.04988	5.3
95.08629	4.4
97.68792	2.5
103.05466	17.5
105.07027	6.1
107.04945	3.9
107.08603	7.9
107.14965	2.6
109.10166	6.2
111.04405	4.3
119.08599	5.1
121.06501	27.2
121.10163	4.6
123.04463	3.7
131.08545	4.6
133.10109	4.5
135.04440	3.2
135.11711	3.1
137.06003	6.5
138.06728	3.4
139.03928	8.3
145.10120	4.2
147.11681	3.5
148.05171	6.1
149.05989	10.2
151.03955	3.0
153.09117	6.4
154.06236	33.3
155.07022	3.0
159.11703	3.4
163.07558	3.7
166.06268	8.6
167.07010	14.1
171.11667	2.7
173.13245	4.3
177.05478	12.4
177.21318	2.4
179.07021	17.5
181.05023	18.3
181.08577	100.0
182.09006	4.9
191.07077	3.1
209.08078	59.1
210.08858	64.0
211.09380	4.9
237.11238	9.4
304.75995	2.9
397.17972	3.1
419.28915	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	419.1697
Annotation	Comazaphilone F
Peak:m/z	Relative Intensity
53.03934	0.4
54.27517	0.3
55.01860	0.6
55.05498	0.6
57.07045	0.2
65.03934	4.1
67.01868	0.2
67.05498	1.6
69.03404	0.8
69.07069	0.2
71.32569	0.3
75.04437	0.2
76.92967	0.2
79.05466	0.7
81.03386	0.3
81.07051	0.3
82.00550	0.3
82.04191	1.4
83.04968	0.8
85.02902	3.1
91.05477	0.9
93.03403	1.2
93.07027	0.5
94.08638	0.2
95.04971	0.9
95.67543	0.2
97.02864	0.3
97.06522	1.6
98.76347	0.2
99.04451	0.3
103.05484	0.4
103.57214	0.2
105.03387	0.6
105.07021	0.5
107.04961	1.3
108.02103	0.6
109.02829	0.3
110.03649	1.9
111.04430	0.9
114.03120	0.3
115.05457	0.4
117.07013	0.5
119.08540	0.4
121.02883	0.3
121.06503	0.8
123.00747	0.3
123.04420	0.4
124.05174	0.3
125.05981	1.5
127.00316	0.2
128.06186	0.3
129.07004	0.7
131.04904	0.5
131.08556	0.9
133.06441	0.3
137.05939	0.3
138.03125	1.1
139.03894	0.3
141.07001	0.4
142.02618	2.6
144.05721	0.5
145.06467	0.4
148.05252	0.3
149.02388	0.2
149.09583	0.3
153.01791	0.6
153.05405	1.3
154.06258	0.6
157.06383	0.3
159.08040	1.4
161.05948	0.6
166.02522	0.2
166.06258	0.3
167.07025	2.2
169.07639	0.3
171.06537	3.1
171.07957	0.4
174.06674	0.3
177.05524	0.5
177.09105	0.9
181.04939	100.0
182.05296	3.6
187.07503	1.0
189.05502	0.3
189.09039	0.4
190.06383	0.2
191.07024	1.1
193.08545	0.3
204.07771	0.8
205.08574	1.2
206.09358	0.7
209.08093	0.3
209.11714	1.9
215.07021	0.3
219.10139	1.9
232.07242	0.3
233.07932	0.2
237.11157	1.3
247.09630	1.3
249.08826	0.3
249.11394	0.2
257.07782	0.2
263.06985	0.3
265.10690	61.8
266.11060	3.9
294.08838	0.3
295.09662	0.2
314.76382	0.2
315.91562	0.2
333.25729	0.2
341.13821	0.5
343.11777	0.5
358.13861	0.2
373.16333	0.5
401.15771	0.8
419.16620	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69061	2.5
55.01875	3.9
57.03424	12.5
69.03426	6.2
69.46353	17.9
73.02912	8.6
79.05500	4.7
85.02914	18.2
85.10191	3.0
86.99948	2.4
91.05476	47.3
91.05980	4.5
97.02886	16.3
103.05478	3.8
105.07036	29.8
107.04972	4.7
115.03937	6.9
117.07020	3.7
127.03902	4.5
133.04939	7.6
133.06485	49.2
137.05968	100.0
145.04959	6.8
146.07851	2.8
153.01837	3.5
157.95445	3.1
163.07558	4.2
165.09138	32.2
175.07591	3.5
181.08662	2.9
183.10150	20.7
197.40324	3.4
203.10736	2.8
221.11760	3.4
232.54367	3.1
239.12752	4.0
242.08224	3.2
257.13837	20.8
278.10300	4.3
364.80328	3.0
419.14624	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08800	1.7
57.03425	5.0
66.91705	1.7
68.41671	1.5
68.91209	1.4
70.30615	4.9
73.70403	1.5
75.04472	3.6
79.05493	3.4
85.02916	3.3
91.05470	3.6
95.04973	2.1
103.05466	3.7
105.07023	24.3
107.04991	1.9
107.19336	1.6
110.33784	1.7
117.06986	1.7
122.03682	3.1
133.06490	49.3
137.05969	100.0
138.06291	3.3
138.88487	1.7
145.06526	2.2
151.07561	1.6
153.01826	4.6
161.09648	1.8
163.07541	5.0
165.09138	26.3
174.05444	1.8
175.07562	3.4
176.07106	3.1
177.09103	1.8
177.66837	1.4
181.08661	1.9
183.10185	22.7
184.10402	2.3
205.08629	1.9
221.11717	4.0
228.54637	1.5
230.08131	1.6
239.12875	3.1
242.08203	7.7
249.07607	1.9
257.13803	22.5
258.04306	2.0
278.10260	9.8
332.69751	1.5
419.18695	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	419.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.5
54.03496	0.4
54.93223	0.3
55.05523	0.6
56.96551	0.5
57.03453	0.8
59.05016	1.7
61.02920	3.3
69.03420	1.7
69.07076	0.4
70.06582	0.4
70.72300	0.7
70.72645	0.3
71.04993	4.3
72.08169	0.6
79.05500	0.8
81.04542	51.6
81.07050	7.2
81.14926	0.3
82.04871	0.7
82.07375	0.4
83.06104	1.3
85.02900	2.8
87.04478	0.4
87.08101	0.8
93.99330	0.3
95.06078	0.8
97.02905	0.9
98.97605	0.7
99.04437	0.4
99.05542	0.5
107.04951	6.8
113.09678	0.6
123.04379	0.4
123.20593	0.3
127.05036	43.9
128.05376	0.9
128.50719	0.3
137.10747	3.3
153.05391	0.5
153.10225	1.1
161.10739	0.5
163.12296	4.7
169.06302	0.3
179.11800	5.0
193.13376	0.4
207.11324	4.3
209.08089	2.8
211.14435	6.6
225.12334	11.3
226.12697	0.6
227.09129	0.8
239.13878	1.4
239.52997	0.3
257.14957	100.0
258.15317	6.4
273.08987	0.8
353.59979	0.4
379.01108	0.4
419.14685	6.8
419.20102	7.8
420.12411	3.4
420.20428	0.7
421.29559	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2062
Annotation	Rhaphidecursinol A
Peak:m/z	Relative Intensity
51.64399	0.5
53.03955	0.6
55.01879	0.5
55.05507	2.1
57.07068	0.8
59.04987	0.6
61.72620	0.5
64.52405	0.5
67.05502	4.9
69.03423	0.6
69.07076	2.4
69.40531	3.5
71.04995	2.8
71.79141	0.5
78.20983	0.5
79.05492	4.0
79.79654	0.5
81.03411	0.8
81.07063	4.7
83.04984	0.7
83.08610	1.2
85.06567	1.3
91.05466	3.0
93.07042	5.5
95.04979	1.7
95.08610	4.5
97.06523	1.9
98.22585	0.6
99.00817	1.4
102.50119	0.5
105.07025	3.8
107.04927	0.9
107.08596	2.9
109.06536	1.1
109.10163	2.8
111.04372	0.9
111.08097	1.1
113.06006	4.6
117.07039	1.6
118.53484	0.5
119.04931	0.5
119.08553	2.9
121.06512	5.3
121.10163	3.2
123.04432	1.0
123.08052	2.0
123.11739	0.9
125.09608	1.0
128.29926	0.5
129.07013	0.9
131.08588	1.7
131.28299	0.5
133.06499	0.6
133.10143	2.1
135.04474	0.6
135.08069	1.5
135.11714	1.6
137.06009	0.9
139.07539	1.9
141.09088	0.5
143.08574	0.7
145.10086	2.4
147.08075	0.9
147.11671	1.7
149.05937	3.3
150.06758	0.8
151.07538	1.1
157.10164	1.9
159.08069	0.6
159.11720	2.4
161.06012	0.5
161.13284	0.9
163.07594	1.9
163.11159	1.2
165.09090	2.1
167.07127	2.5
167.08336	0.5
169.10139	1.2
171.11697	1.0
173.09593	1.0
173.13237	1.2
175.11229	1.0
177.09135	0.7
177.12772	0.9
179.10698	0.6
181.08615	0.6
181.10052	0.7
183.06552	0.9
183.11757	0.6
185.13254	0.9
187.14835	1.4
189.09166	0.6
189.12793	0.6
189.16318	0.6
191.10692	3.3
193.08553	0.9
193.12267	5.8
195.06512	8.1
195.08113	0.7
197.09732	0.6
199.07506	0.6
199.11237	0.6
199.14836	0.7
203.10645	0.9
205.12239	3.0
207.06435	0.6
207.13704	1.2
209.08075	11.3
211.14880	0.6
213.16492	0.5
215.10796	0.8
215.14162	0.7
217.12123	0.8
219.10135	2.3
221.08076	0.6
221.11658	0.9
233.11693	2.2
235.09630	0.7
235.13266	1.7
237.11195	26.3
238.11667	1.9
243.10182	0.7
247.09839	0.6
249.11285	2.0
251.12781	47.1
252.13080	2.4
261.11258	2.2
263.12747	0.8
269.15320	1.0
279.12271	28.8
280.12582	1.5
287.16516	1.0
303.15988	2.3
305.17520	3.8
313.14325	0.6
321.17010	1.9
331.15421	0.6
349.16434	3.6
375.21725	1.9
401.19440	3.8
401.27423	1.0
419.20612	100.0
419.28497	4.1
420.20969	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	419.206
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18321	1.1
53.03930	3.1
55.05501	3.6
57.03426	2.7
57.07061	2.5
58.06597	12.0
59.06917	1.3
59.07379	3.8
60.08153	2.8
65.03934	2.5
67.05504	9.1
69.07060	7.7
69.81974	6.1
75.04472	1.3
78.04699	2.1
78.94765	1.3
79.05482	9.7
81.03420	1.2
81.07044	7.0
83.04964	2.2
85.06535	2.3
87.04453	1.6
91.05473	8.0
93.07030	5.5
95.04958	7.1
95.08595	5.7
97.06533	1.9
103.05441	2.7
105.07015	12.1
106.04148	2.1
107.04942	29.5
107.08585	5.4
108.81780	1.3
109.06480	2.4
109.10143	7.1
111.04441	1.9
111.08059	1.9
115.05487	2.5
117.07007	2.9
119.08578	6.5
121.06528	4.5
121.10142	4.4
122.03652	2.7
123.04436	11.4
123.08017	1.4
124.05180	3.9
128.06218	2.4
129.06967	2.0
130.07767	1.7
131.04872	1.4
131.08545	5.9
133.06465	2.8
133.10107	4.6
135.04352	2.0
135.08046	10.0
135.11679	2.4
137.05957	6.6
138.06731	6.1
139.03888	1.7
140.04721	3.7
143.08554	5.3
144.10164	2.6
145.10124	9.4
147.04398	3.2
147.11674	1.7
148.05173	5.2
149.05815	1.6
151.03874	4.4
151.07510	6.0
152.04735	2.7
154.06235	8.8
155.07018	4.5
155.08443	2.4
157.10115	2.1
158.07265	4.7
159.07990	1.5
159.11755	2.4
162.06769	2.3
162.11263	1.8
163.07462	8.7
163.11215	1.7
165.05519	3.9
166.06247	10.8
167.07025	100.0
168.07495	5.1
169.08595	12.0
169.09995	2.2
171.07899	1.6
171.11635	2.5
173.09630	16.2
175.07671	1.6
175.14919	2.2
177.05452	1.6
177.09094	2.2
178.09929	3.0
179.07018	2.9
180.07785	3.9
181.04991	24.1
181.08583	75.9
182.08936	3.3
183.06503	4.4
183.11731	2.4
187.14751	2.8
189.09096	1.8
189.16371	1.6
191.10652	4.7
192.07782	1.4
193.08627	1.7
194.09387	5.3
195.06522	11.9
195.08319	2.2
195.10152	29.4
195.11810	1.3
197.08080	5.3
199.14778	1.6
201.09105	25.4
202.09697	1.6
205.08521	1.8
205.12100	1.8
209.11708	15.6
213.12657	1.6
216.11433	15.9
217.08656	2.6
219.10144	21.5
223.13223	2.8
225.11214	2.7
229.14386	1.8
230.14685	1.4
232.10909	3.7
233.11693	11.4
235.13225	2.1
236.14906	31.2
237.15160	22.6
238.15463	2.1
247.13242	23.1
248.13696	2.6
251.12775	26.8
252.13109	1.9
255.17294	1.4
265.14346	27.0
266.14716	1.7
319.51581	1.7
370.16931	1.8
384.24356	1.7
401.19461	2.0
401.30902	13.1
419.19958	1.7
419.32376	28.6
420.32864	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.2
55.05504	24.2
57.03431	8.1
57.07067	8.5
67.05499	30.6
69.05368	8.1
69.05795	3.7
69.06705	2.2
69.07066	29.6
71.08627	4.9
71.09000	1.1
79.05494	16.9
81.07050	33.3
81.07499	2.5
83.04989	1.4
83.08614	22.4
85.06547	2.0
85.10161	2.4
91.05482	4.3
93.07037	18.4
95.08604	33.5
97.06537	6.6
97.10165	14.3
98.22590	2.1
98.98463	100.0
105.07045	3.7
107.08584	12.7
109.06489	1.5
109.10150	16.6
111.08077	6.1
111.11709	4.2
116.99532	1.2
119.08576	4.2
121.10151	18.0
123.08064	2.0
123.11688	5.7
131.08583	1.7
133.10139	2.9
135.11693	12.0
136.12088	1.2
137.13229	2.5
139.11201	1.4
143.08563	2.7
145.10118	2.4
147.11699	1.6
149.13257	6.1
151.14848	2.2
155.01031	98.2
157.10112	2.4
159.11697	2.6
163.14812	1.9
170.61209	1.2
171.11652	1.9
173.13277	1.7
177.16521	1.5
183.11720	1.7
187.14813	1.7
196.03781	1.3
199.14821	1.7
247.24178	8.1
265.25220	18.0
266.25629	1.8
401.32245	1.6
419.33530	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.8
54.06324	6.4
54.35530	7.1
54.37163	6.7
55.01879	8.5
55.05496	21.9
57.03443	8.2
57.07071	17.7
60.61652	6.3
63.91722	7.2
67.05516	33.3
67.05849	6.2
69.03426	13.3
69.07076	40.4
71.05011	32.9
71.05338	8.4
71.31543	7.4
78.68125	6.3
79.05482	23.2
81.03420	8.1
81.07063	54.2
83.08632	13.4
85.02863	13.6
85.06559	40.1
91.05473	19.7
93.00719	6.7
93.07033	39.8
95.04961	17.3
95.08606	100.0
97.06509	31.5
97.10191	8.8
99.08114	8.7
103.05490	10.9
105.07024	46.1
107.08584	48.5
109.10128	33.2
111.08131	13.5
119.08575	59.8
121.10123	45.2
123.08072	7.7
123.11707	19.3
125.09604	11.7
127.11167	10.2
131.08560	10.3
133.10114	40.5
134.41489	5.9
135.11708	17.3
137.05969	7.9
137.13258	22.0
139.11203	6.7
144.25259	6.5
145.10115	14.0
147.11679	36.6
151.03891	7.7
159.11728	12.2
161.13298	33.3
163.07527	12.7
163.14865	14.3
165.12761	15.7
171.11623	8.4
175.07657	7.0
177.16370	11.7
179.14330	17.9
181.04985	45.6
185.13278	8.2
187.14825	11.5
191.07133	10.5
193.08586	12.2
203.17973	46.3
221.18967	59.1
224.69344	7.6
228.64365	6.8
234.08673	9.7
239.20047	76.0
249.11208	38.6
250.11668	9.0
257.21188	12.7
265.10672	22.5
297.07544	17.8
364.42462	7.2
385.83618	7.0
419.16833	22.5
419.28833	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	419.2639
Annotation	Dendronobiloside B
Peak:m/z	Relative Intensity
55.05517	25.0
67.05512	32.6
69.03427	32.1
71.32761	26.9
79.05492	62.9
81.07047	85.1
83.04981	32.7
85.02863	32.5
91.05451	31.8
93.07040	55.8
95.08604	75.3
97.06525	36.0
103.05471	42.3
105.07018	65.9
107.08578	100.0
109.10176	45.3
119.08578	71.3
121.06476	26.6
121.10188	31.5
131.04973	39.4
133.10121	53.0
135.11678	77.4
147.11673	28.3
149.05978	31.4
151.03889	33.8
163.03851	28.1
164.08305	55.0
167.07045	57.1
179.31702	26.7
181.04958	69.5
181.08665	29.6
191.06949	33.7
203.17845	30.1
221.18942	45.7
235.92062	33.7
239.19928	33.1
298.92624	28.8
419.21265	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	0.5
54.46346	0.3
55.05515	2.1
55.53241	0.3
57.07082	0.8
59.05003	0.6
65.03954	0.4
67.05501	3.8
68.36965	0.4
69.07065	2.7
71.05000	0.5
71.33832	0.5
79.05498	2.4
81.07049	4.1
83.05016	1.0
83.08654	1.6
88.19185	0.4
88.35952	0.4
91.05460	2.7
93.07040	4.5
95.05000	0.5
95.08595	5.4
95.09134	0.5
97.06535	0.7
99.08096	0.4
100.55408	0.3
105.07020	3.6
107.08595	5.3
109.10149	3.2
111.08083	0.7
115.05523	0.4
117.07014	1.2
119.08572	5.3
121.06501	0.7
121.10127	4.7
123.08067	0.8
123.11718	1.0
125.09670	0.9
128.06233	1.0
129.06992	0.9
131.08549	2.9
133.10115	4.1
135.08051	7.0
135.11699	2.5
137.09647	0.9
141.07008	1.2
142.07777	1.5
143.08554	3.7
144.09367	0.6
145.06509	1.6
145.10110	4.3
147.04401	0.8
147.11702	2.5
149.09644	1.4
149.13266	1.5
151.11206	0.6
155.08597	1.4
156.09343	8.8
157.10109	2.6
158.10912	0.5
159.08063	1.0
159.11674	3.5
161.09602	1.3
161.13286	1.6
163.11171	1.9
163.14806	0.9
165.06906	0.6
169.10097	1.5
170.10904	0.8
171.08057	0.4
171.11687	4.2
173.09666	0.8
173.13278	3.7
175.11200	1.1
175.14841	1.4
177.12732	0.7
181.10092	0.6
183.08026	2.4
183.11656	1.1
184.08798	1.5
185.09636	2.5
185.13278	2.0
186.10263	0.4
187.11160	1.2
187.14827	2.7
189.12729	0.7
189.16354	1.6
191.06989	0.9
191.17996	0.8
195.11722	0.8
197.09581	5.8
197.13268	1.1
198.10394	5.5
198.50371	0.4
199.11172	100.0
200.11528	5.8
201.12755	5.8
201.16455	0.8
203.14261	0.7
205.15935	2.5
205.19562	0.5
207.11516	0.5
207.17467	0.5
209.13335	0.6
211.11108	1.9
211.14705	0.5
213.12733	10.0
213.16142	0.7
214.13045	0.6
215.14334	0.9
215.17905	1.9
219.06238	0.4
223.11227	0.4
225.16243	0.5
227.14226	0.8
231.17448	0.5
233.18933	2.4
239.17789	0.5
241.15793	0.6
285.21976	0.4
295.20071	0.5
401.28253	1.8
419.29105	17.3
419.73715	0.6
420.29636	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.8
53.13923	3.8
55.01862	10.7
55.05509	27.5
55.75217	3.7
57.07080	4.7
59.04974	4.3
65.03943	4.8
65.25521	3.4
67.05505	83.6
69.03440	7.7
69.07068	38.1
71.04987	9.7
75.30205	3.7
79.05502	39.2
81.07057	100.0
83.04996	11.2
83.08626	18.9
85.06526	10.6
87.04479	17.6
91.05486	26.4
92.65180	4.9
93.07053	49.3
95.04969	12.4
95.08602	88.6
96.08917	4.7
97.06535	14.9
97.10176	12.2
105.07022	32.6
107.04969	8.0
107.08592	32.2
109.06508	7.0
109.10163	44.4
111.08099	9.7
111.11672	5.1
113.05999	4.5
116.25838	4.0
117.07009	8.1
119.08567	28.4
121.06522	9.9
121.10149	34.2
123.04459	6.4
123.08090	10.8
123.11714	30.2
125.09621	6.2
131.08569	15.5
133.10124	28.1
135.04451	4.8
135.11690	21.4
137.05940	7.5
137.09622	5.8
137.13239	10.9
139.11172	10.4
143.08554	4.7
145.10150	15.8
147.11705	16.8
148.74889	4.4
149.05939	6.3
149.09621	7.1
149.13232	4.6
153.12825	3.6
157.10176	8.7
159.11720	12.4
161.09590	5.2
161.13280	10.2
163.07578	4.7
163.11214	8.8
163.14806	7.4
165.05443	6.7
165.12740	5.1
167.10800	4.1
169.10161	4.8
173.13271	12.2
175.14914	6.2
177.05437	7.6
177.12807	5.0
181.05002	5.3
183.06546	21.1
183.10162	6.5
183.11668	5.7
185.13199	6.8
187.14836	10.7
189.16371	4.2
195.11717	6.1
197.13271	6.7
201.12712	4.5
209.13524	3.8
211.14828	6.3
213.16454	6.7
219.10165	7.4
225.16365	4.2
233.08224	4.1
237.11157	20.4
237.14908	14.1
243.21082	11.5
261.22125	24.9
279.23154	89.5
279.26062	6.1
297.24210	11.4
401.19342	5.8
419.15970	4.6
419.20587	29.8
419.29208	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	419.3516
Annotation	CHEBI:86165
Peak:m/z	Relative Intensity
52.38501	2.5
53.03949	3.3
55.01872	13.8
55.05511	28.6
57.03436	13.6
57.07074	42.1
62.86217	2.3
65.03922	3.2
67.05500	50.3
68.05868	2.8
69.07064	32.1
69.87793	12.2
71.04987	43.4
71.08629	20.6
77.03944	2.7
78.99682	2.4
79.05495	34.1
80.05879	2.4
81.07052	72.9
83.04958	12.6
83.08619	20.6
85.10186	11.2
91.05476	50.6
93.07042	39.0
95.04976	11.3
95.08603	63.3
95.09196	4.5
96.08923	2.8
97.06522	9.9
97.10146	13.0
98.98486	3.6
99.08081	25.4
105.07032	55.8
107.04955	4.8
107.08574	23.9
108.76189	2.3
109.06533	9.3
109.10136	29.4
110.10474	3.1
110.48580	2.3
111.08085	6.4
111.11751	3.3
113.09648	18.5
117.07029	15.7
119.08578	34.6
121.06500	11.0
121.10155	15.5
121.71870	2.4
123.08061	52.4
123.11725	11.5
125.09610	4.0
127.07581	5.5
128.06190	5.2
129.07008	11.6
131.08560	38.2
131.09462	4.8
133.06477	6.9
133.10127	45.5
134.20789	2.7
135.08038	27.2
135.11676	9.3
137.09589	17.9
139.11127	5.1
143.08537	20.8
145.06508	3.7
145.10118	18.1
147.08037	31.4
147.11699	12.3
149.09599	38.5
149.13260	9.4
151.11159	44.5
155.00948	3.9
155.08557	10.3
157.10117	18.9
159.08069	3.8
159.11707	12.2
161.09613	49.0
161.13249	13.4
163.11200	5.2
169.10161	6.0
169.12230	6.2
171.11665	6.8
173.09695	4.4
173.13257	9.1
175.11218	8.5
175.14838	9.1
177.09132	3.2
179.14406	4.2
183.11731	7.6
183.17372	4.6
185.13246	21.5
187.11218	7.5
187.14793	5.2
191.14291	12.0
199.14857	5.6
201.12720	7.3
201.16312	4.5
203.14307	74.1
204.14670	3.5
209.15454	3.8
211.14934	5.2
211.20621	3.0
219.17435	16.7
221.15341	12.3
225.22090	3.6
229.15897	5.4
245.22609	4.3
251.04727	6.0
251.20369	2.7
261.22269	5.6
263.23795	18.4
281.24765	5.6
285.25836	4.4
291.26855	10.2
297.25812	8.3
303.26910	4.1
313.28687	3.5
315.26822	57.7
315.30426	3.7
316.27200	5.0
331.29987	14.5
333.27850	7.7
355.33575	12.8
363.17172	5.4
365.31979	9.8
383.33084	42.5
384.33350	5.4
401.34125	100.0
402.34485	15.1
419.22098	3.5
419.35410	19.1
420.35291	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	419.352
Annotation	CHEBI:86165
Peak:m/z	Relative Intensity
52.44501	1.2
53.03941	2.3
55.01878	3.6
55.05513	12.0
57.03441	3.2
57.07088	4.1
59.05001	2.0
65.03947	1.9
67.05506	25.0
69.03429	4.5
69.07067	22.8
70.06554	1.1
70.57352	2.1
70.57703	1.9
71.04997	23.9
73.91438	1.1
75.39902	1.1
79.05497	21.4
81.07059	58.2
82.07403	2.0
83.04991	2.9
83.08617	10.2
85.06545	91.7
86.06894	1.4
87.04485	1.6
91.05480	19.6
93.07048	46.5
94.07424	1.5
95.04979	3.4
95.08607	67.3
96.08947	1.9
97.06526	15.2
97.10152	6.4
99.08114	1.8
105.03435	1.8
105.07033	32.9
106.07361	1.2
107.08598	58.0
109.06522	4.0
109.10160	33.6
111.08084	18.8
111.11732	3.5
112.08408	1.4
113.06067	2.2
117.07034	4.9
119.08580	55.3
119.09431	2.8
120.08981	2.2
121.10143	48.9
122.10517	1.7
123.08092	3.9
123.11711	20.6
125.09627	4.9
129.07069	1.2
131.08566	10.2
133.10132	46.7
135.08086	2.1
135.10648	2.0
135.11693	42.3
136.12044	1.6
137.05997	4.6
137.09671	3.5
137.13260	9.2
139.11209	3.6
143.08604	2.9
145.10123	16.0
147.04434	1.9
147.11685	35.3
148.12093	1.5
149.09618	2.6
149.13260	18.0
151.03998	1.4
151.11200	4.4
153.05391	1.5
153.12769	3.7
157.10146	4.4
159.11710	18.3
161.11943	1.4
161.13257	24.3
162.13672	1.4
163.11238	1.5
163.14841	18.1
165.05463	3.8
165.09090	2.9
165.12782	2.0
169.04991	3.8
169.10042	2.2
171.11719	3.3
173.13220	9.5
175.14828	18.0
177.12746	2.4
177.16409	7.2
179.14296	17.8
179.15700	1.4
181.15970	2.4
183.06555	9.5
185.13255	2.5
186.14059	1.8
187.14830	10.1
189.09204	1.5
189.16385	38.2
189.18018	2.3
190.16768	2.3
191.06999	1.9
191.14374	3.4
191.17921	13.8
193.08649	4.1
193.15898	6.4
199.14835	2.1
201.16379	8.3
203.17908	10.8
205.15900	2.0
207.17450	58.4
208.17903	3.5
209.11771	3.7
211.09755	5.2
213.16505	2.8
214.17181	1.3
215.17969	14.9
217.19539	4.8
219.17552	1.9
221.19017	3.6
225.11327	1.4
227.17953	3.0
229.19519	12.0
230.20020	1.3
233.19066	3.7
235.20697	1.3
237.14911	2.2
239.17873	1.7
241.19533	2.9
243.21098	2.1
247.20554	4.7
255.21198	2.4
259.20560	2.3
261.22305	1.3
269.22589	1.8
287.23801	1.8
305.13681	1.5
313.25165	1.3
361.16876	1.4
383.33173	24.0
384.33542	2.7
401.19766	3.1
401.34210	100.0
402.34470	10.9
419.23947	2.7
419.29666	3.5
419.35263	40.6
420.30905	1.5
420.35693	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	420.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57381	0.4
57.03431	1.8
65.25755	0.4
66.55293	0.4
68.78645	0.4
69.03390	0.5
69.45203	2.8
75.04475	0.6
85.02895	2.9
89.01369	0.4
95.01328	2.7
97.02867	0.5
99.00811	0.6
107.04949	100.0
108.05279	2.8
123.04422	1.0
124.47870	0.4
125.34729	0.4
138.05476	0.8
141.01813	3.4
153.05466	4.7
177.05521	1.2
189.15785	0.5
190.44304	0.4
201.31166	0.4
209.08078	37.3
210.08456	1.6
219.06512	0.6
226.69885	0.6
227.09128	12.1
247.24852	0.4
250.10721	1.0
385.11157	1.5
402.15463	1.0
420.15717	1.0
421.16757	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	420.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	1.8
69.96287	1.0
69.96679	1.2
73.02946	0.6
75.04476	1.0
85.02903	1.5
87.60766	0.5
95.01318	1.9
107.04951	100.0
108.05282	3.8
113.02366	1.4
123.40823	0.5
141.01822	3.2
145.42542	0.5
153.05473	4.4
154.05685	0.7
209.08078	34.8
210.08438	2.0
227.09140	10.7
243.29742	0.5
333.93246	0.6
385.11227	0.7
391.63150	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
55.01865	5.6
57.03434	14.7
59.04995	1.7
61.02919	9.6
65.03934	2.6
68.75568	1.0
69.03431	25.1
69.64600	2.4
69.65009	2.8
71.01348	3.6
71.04984	2.2
73.02919	63.0
73.85304	0.8
75.04485	4.4
78.04715	1.2
79.05482	1.1
81.03398	6.8
81.07027	1.5
83.04976	1.9
84.04501	1.2
85.02905	56.7
86.03209	1.0
86.06077	1.1
87.04469	4.5
91.03938	2.9
91.05480	100.0
92.05823	4.6
95.04943	1.8
97.02893	52.1
99.04462	3.8
103.03924	3.2
105.07026	5.8
107.04974	3.1
107.08601	1.4
109.02853	5.3
109.06527	2.6
111.04491	1.2
115.03929	21.4
117.07008	4.5
121.06501	2.6
123.04414	5.2
127.03918	19.8
129.06989	2.3
131.05032	1.2
131.08571	3.3
132.06651	1.0
133.04970	24.2
133.06459	6.5
137.05974	6.7
140.22055	0.9
141.07059	1.4
143.08528	1.2
145.04951	26.0
145.06493	4.0
147.04404	1.9
149.05962	3.3
150.07620	2.9
151.68291	1.1
153.05441	1.3
153.07019	1.0
157.05087	1.8
157.06494	3.1
159.06883	1.0
159.08064	4.0
161.04488	1.5
161.06024	1.1
163.06029	8.6
163.07556	4.4
167.07002	3.4
173.05945	1.0
175.07492	2.2
177.05478	3.6
177.09099	1.9
181.04901	2.0
187.07535	3.2
191.06947	1.0
193.04953	1.1
193.08620	1.1
195.06519	1.0
195.10191	6.5
199.06009	1.8
199.07745	1.3
205.08617	15.9
217.08644	2.6
219.06525	1.2
223.06000	4.0
223.09651	12.1
223.13271	3.4
235.09720	1.4
241.07025	5.3
241.10735	1.3
253.10574	1.8
259.08154	7.1
276.49402	0.9
277.09164	2.0
295.10049	1.8
346.13773	1.1
371.11053	1.2
421.14874	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	12.9
55.05497	8.9
56.05004	2.6
56.56174	2.7
57.03442	15.6
58.83799	2.9
59.02777	3.1
61.02930	17.4
67.05502	4.5
69.03429	40.3
69.07061	3.8
69.24733	3.1
70.71421	6.3
71.01345	4.7
71.04988	8.0
73.02914	93.4
73.06551	29.3
75.64875	3.0
79.05499	9.9
80.69910	3.1
81.03413	15.0
81.07061	6.3
83.04957	4.8
84.04472	3.4
85.02903	100.0
87.04485	6.9
91.03974	4.1
91.05485	20.1
91.80529	2.8
93.07025	9.2
95.04955	8.4
95.08595	5.8
97.02892	81.2
99.04445	8.5
101.06000	7.5
103.03964	7.4
103.05467	14.4
105.07033	9.8
107.04951	29.2
107.08561	3.8
109.02894	18.8
109.06516	10.3
111.04440	4.0
113.05990	3.2
115.03925	28.5
115.05466	4.2
119.04946	7.0
119.08578	13.7
121.06480	22.1
121.10178	4.5
123.04436	19.2
123.08057	6.0
125.05973	3.4
127.03922	38.4
129.06984	15.9
131.04926	24.2
131.08560	6.5
133.02872	3.3
133.04961	28.3
133.06503	4.5
135.04401	8.1
135.08037	12.2
135.92966	3.5
137.02281	4.2
137.05972	26.2
139.03899	5.3
145.04942	44.9
145.06583	6.6
147.04395	39.4
147.08041	10.1
148.05199	3.8
149.05971	12.9
150.07622	4.8
151.07585	6.3
153.05499	21.2
157.04997	3.6
157.06465	9.3
159.08023	3.3
159.11688	14.4
161.06030	8.5
163.06033	11.6
163.07550	19.3
165.05557	4.8
165.06973	6.5
167.07027	51.0
167.27243	2.8
169.06282	3.3
175.07544	49.7
177.05489	4.8
179.07028	7.2
180.07646	4.4
181.04947	8.8
181.06509	3.1
181.06839	3.7
181.08592	44.8
183.08072	3.8
187.07533	4.8
193.04895	3.0
193.08627	13.1
195.06470	6.1
195.08072	7.5
205.08531	5.0
205.12149	3.1
210.06700	6.6
211.07570	5.1
213.09244	3.7
215.79518	3.2
219.08070	3.8
223.07719	5.1
223.09677	12.2
223.13281	10.4
225.09183	4.8
231.06491	4.4
235.09717	3.5
241.06921	4.5
241.14352	3.4
243.08534	15.7
244.09505	28.2
245.10297	4.5
249.07686	4.6
251.07161	4.3
251.10692	4.7
254.09094	4.0
256.07254	4.1
259.08075	4.9
269.08099	10.7
269.11588	3.5
271.09644	9.5
271.32370	3.9
288.09860	7.1
297.11188	8.0
301.10675	15.6
303.12476	6.1
329.13806	10.2
332.12582	4.0
345.13321	4.8
346.14163	16.1
347.14932	25.4
370.79858	3.3
375.23529	11.3
378.15442	9.6
379.16043	8.8
393.25000	4.4
398.53006	3.2
420.19357	6.4
421.24054	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	420.186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	3.1
57.03430	20.1
60.04456	2.3
64.07291	2.2
64.32296	2.0
69.03426	78.6
69.24361	19.5
73.02907	5.3
73.74083	2.2
75.15365	2.2
81.03413	2.4
85.02895	59.6
87.04465	52.6
91.05477	100.0
92.05826	2.4
93.40041	2.1
95.44286	3.3
97.02888	72.9
99.42365	2.3
105.07013	3.4
107.04975	7.1
109.02869	2.5
115.03922	78.7
116.04319	2.4
117.07016	2.8
127.03883	5.1
133.04953	81.7
145.04951	8.0
150.07623	9.8
169.04997	2.5
175.07501	5.1
208.13507	3.2
223.09682	8.6
253.10764	3.0
259.08258	5.8
277.09064	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	420.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.8
57.03434	3.1
58.94555	1.0
61.02918	2.7
69.03430	4.6
70.84386	2.3
71.86886	1.0
72.52193	1.0
73.02917	7.8
73.06553	1.1
73.23038	1.1
78.71493	1.0
81.03426	1.4
81.07059	1.5
84.04531	1.1
85.02907	11.3
91.05471	3.0
93.06998	1.6
95.08626	1.1
97.02914	6.9
99.04483	1.4
101.06040	1.3
103.05469	26.3
104.05799	1.4
105.06997	1.3
107.04966	1.2
109.02879	2.6
111.97392	1.1
112.92667	1.0
115.03924	2.5
117.07032	1.3
119.08611	1.6
121.06532	1.4
123.04444	3.1
123.11716	2.4
127.03931	3.5
131.04935	100.0
132.05280	4.3
133.04965	4.8
133.63631	0.9
135.08047	0.9
137.05984	8.5
137.09592	1.1
139.72575	1.0
145.04935	4.9
151.03891	1.3
151.07539	1.1
151.11252	1.6
155.62373	1.2
159.11638	1.9
161.09723	1.0
163.07550	62.7
164.07860	1.9
167.07085	3.4
179.07031	1.8
181.05025	2.0
197.11742	2.3
205.20229	1.0
215.75299	1.0
223.07498	2.3
223.09662	42.1
223.13145	2.2
224.10072	1.8
241.10881	1.1
420.19019	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03416	0.8
69.07062	3.3
69.31319	3.4
70.98331	0.4
78.04686	1.0
81.03424	0.5
85.02885	2.2
86.49213	0.5
91.05453	0.9
91.97643	0.5
94.43027	0.4
97.02886	0.8
98.04567	0.5
107.04964	3.5
121.06510	0.9
123.04418	2.4
124.05200	0.9
131.06519	0.5
131.08543	1.4
137.05998	0.5
140.04671	0.6
152.04668	1.2
155.07027	1.4
159.08022	1.8
163.11188	1.7
167.07031	100.0
168.07335	3.2
181.08566	5.0
191.10655	5.1
223.13283	21.9
241.14374	5.5
289.53412	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47813	3.1
55.01871	5.3
55.05510	5.7
57.03438	13.2
67.05508	6.9
69.03431	23.2
70.06613	4.7
70.41862	10.6
71.04981	5.9
73.02918	24.7
79.05479	5.4
81.07054	8.6
83.04990	4.8
85.02912	43.5
87.04467	12.4
91.05481	7.5
93.07050	6.6
95.08604	4.7
97.02911	35.7
97.06553	5.2
99.04464	4.3
105.03362	4.2
105.07027	19.0
107.08562	8.6
109.06514	10.4
109.10152	8.0
112.58787	3.7
115.03944	33.1
115.47427	3.3
117.07032	6.6
119.08580	100.0
120.08991	4.4
121.06483	9.1
121.10178	6.6
123.04438	12.2
127.03901	11.1
131.08580	6.7
133.04973	16.4
137.05986	19.3
144.01195	4.4
145.04968	11.2
145.10094	3.8
149.13231	4.7
159.11691	88.9
159.12958	5.5
163.11160	3.8
165.05498	9.5
165.09160	4.4
167.06963	7.3
168.48241	4.1
170.11786	3.9
175.07590	5.0
177.12753	53.0
181.04828	3.8
182.70924	3.4
193.12268	6.9
195.13814	62.1
196.14192	4.9
205.12299	17.5
223.13275	50.0
231.06349	4.0
241.14349	14.3
273.12796	10.7
311.09277	8.7
392.02945	4.0
443.68097	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	420.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.1
55.01865	2.6
59.04999	1.8
67.05502	1.5
68.49782	1.6
69.03429	6.0
69.08900	14.8
78.03452	5.1
79.05485	2.7
81.03418	5.9
81.07065	3.0
83.04951	2.6
85.02428	1.7
85.02895	10.5
93.07016	1.9
95.05000	1.5
95.08611	1.5
95.34181	1.6
96.04469	1.6
96.35860	1.5
97.02888	5.3
105.07018	21.9
106.02912	19.7
107.04951	12.0
107.73920	1.6
108.19210	1.7
109.02866	4.9
109.06446	1.6
116.01673	3.2
121.10139	1.7
123.08072	5.9
124.03953	51.6
125.04293	2.4
127.03923	4.3
131.08521	1.9
131.62186	1.4
133.06485	53.8
134.06747	2.2
137.05972	100.0
138.06296	5.1
145.04976	1.7
145.06438	1.7
145.10181	1.7
151.07510	2.7
157.06746	1.8
165.09116	36.5
165.10422	2.7
166.09515	2.4
167.07011	1.9
176.03931	1.7
179.10658	2.8
181.04967	3.5
183.06558	1.5
183.10162	28.2
184.10437	1.8
197.11749	1.8
212.49828	1.7
223.13301	3.4
240.29535	1.6
241.14389	6.7
250.07133	6.4
268.08160	16.8
273.12738	6.1
301.03516	1.5
404.51630	1.7
420.12878	16.3
421.11386	2.8
430.38165	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
55.01866	0.4
59.31767	0.4
59.59674	0.4
69.15538	0.4
69.32030	0.4
69.60674	0.4
70.59110	0.4
70.59431	0.6
78.04714	2.1
79.05476	3.7
81.07039	1.1
85.02897	0.8
91.05462	2.3
93.07027	1.5
95.04963	1.5
96.05741	0.5
103.05445	1.6
105.07024	0.6
106.04132	1.0
107.04955	4.3
108.78448	0.4
109.02846	0.5
109.06499	1.1
111.08073	0.4
120.05696	0.4
121.05743	0.4
121.06490	2.9
122.03620	0.4
123.04417	4.1
124.05200	3.3
125.06010	0.4
135.04446	0.4
136.05202	0.4
137.05980	0.8
138.06766	0.4
139.03909	0.8
139.07521	4.6
149.05965	1.5
151.03897	0.8
152.04675	1.8
153.05441	0.6
154.06224	3.1
163.07544	0.8
165.05521	0.6
166.06236	1.0
167.07024	100.0
168.07375	3.4
177.05461	1.6
179.06975	1.5
181.04959	3.7
181.08571	9.3
182.08908	0.4
191.07056	0.6
193.08554	1.0
209.08070	6.2
210.08826	4.2
210.66362	0.4
211.09633	9.1
212.10109	0.8
230.98375	0.4
239.12733	0.9
251.50494	0.4
267.71976	0.4
414.91269	0.4
424.34134	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44688	0.4
53.03931	1.7
55.01871	2.5
57.03420	0.8
57.12178	0.4
59.34645	0.4
65.03941	1.0
66.04724	0.4
67.05486	0.8
70.18801	0.4
70.39725	1.1
75.04458	0.5
77.03906	0.5
78.04688	0.4
79.05487	8.5
81.07021	0.5
91.05476	9.3
92.06285	0.7
93.02828	0.4
93.03410	1.1
93.07044	3.3
94.04161	0.8
95.04955	2.4
95.08595	0.4
97.06535	0.8
103.05456	9.5
104.06245	0.6
105.03355	0.7
105.04527	0.9
105.07025	23.9
106.04160	0.6
106.07332	0.9
107.04950	5.5
107.08547	0.4
108.05736	1.5
109.02877	0.6
109.06506	2.2
111.04408	0.8
115.05461	1.3
117.07006	0.7
118.04155	9.6
119.04953	4.2
120.05763	2.3
121.05690	0.7
121.06503	9.0
122.03622	0.7
122.07276	1.5
123.04424	1.4
123.08080	2.4
124.05221	2.4
125.05969	1.3
131.04939	1.9
132.05681	1.1
133.06480	23.6
134.07162	1.5
135.04407	4.1
135.08043	4.7
136.05136	0.7
137.02409	0.4
137.05980	8.3
137.09578	0.4
138.03069	0.4
139.03911	1.9
139.07520	0.5
143.06036	0.3
146.03613	1.4
147.04422	1.5
148.05154	1.3
149.05974	7.7
150.06750	14.2
151.03824	0.6
151.07538	4.7
153.05470	0.8
154.06232	4.9
155.07034	0.4
161.05952	3.1
163.03891	0.4
163.07585	1.7
165.05443	1.9
165.09105	17.2
166.06282	2.2
166.09428	0.6
167.07030	13.8
168.07785	3.1
169.08546	0.4
175.07460	0.5
177.05461	3.7
178.06206	1.4
179.07021	6.0
180.07671	0.7
181.04971	8.5
181.08577	18.8
182.05278	0.4
182.08972	0.8
193.08591	63.0
194.08917	2.4
195.06575	0.4
195.10187	0.8
207.10153	0.5
209.08084	9.9
210.08870	8.9
211.09637	100.0
212.10069	6.0
213.11197	0.4
239.10640	0.4
239.12737	2.6
322.14740	0.4
390.01065	0.4
400.19223	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	23.3
59.89043	9.9
67.05499	34.6
67.57661	10.2
69.07069	25.7
79.05497	33.2
81.07048	53.0
83.08640	15.2
85.06545	10.2
91.05493	35.4
93.07040	51.9
95.08615	58.8
97.17389	13.7
101.08329	12.1
105.07030	48.9
107.08601	40.0
109.10149	36.8
111.08080	12.9
117.06925	12.9
119.08598	57.6
121.10162	33.3
122.04903	10.8
129.06992	14.9
131.08562	35.6
133.10130	40.1
135.11694	15.5
142.07716	14.1
143.08578	23.8
145.10156	45.2
147.11664	29.6
149.13196	17.5
156.09360	14.1
157.10127	35.8
159.11664	25.3
167.07127	12.0
169.10085	23.5
171.11681	27.0
173.13246	28.6
175.14822	19.3
181.08585	14.7
183.11688	17.5
185.13252	30.0
187.14835	34.0
189.16238	11.1
191.99457	10.2
195.11722	11.1
197.13206	13.3
199.14774	22.3
201.12665	12.3
201.16440	16.2
203.14452	15.1
209.11563	50.0
213.12714	12.3
213.16341	15.0
223.15015	11.3
229.19742	13.8
241.11865	11.3
265.15762	12.9
311.24280	10.5
328.09250	11.8
385.07770	11.6
403.29858	12.7
421.21982	45.6
421.31021	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.31
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
55.01884	0.6
55.05514	3.0
57.07081	1.1
59.05020	1.3
64.73454	0.6
67.05509	4.9
68.07301	0.6
69.07055	2.7
69.17064	1.2
69.17467	3.5
79.05486	7.6
81.07048	7.6
82.09326	0.5
83.04974	0.8
83.08619	1.3
85.06558	0.7
89.06020	5.2
91.05480	5.1
93.07041	7.2
95.04978	1.0
95.08604	10.6
97.10152	0.7
98.98470	0.7
99.08058	0.6
101.13695	0.6
105.07025	6.0
107.08591	13.3
109.10155	7.0
111.08100	1.5
117.07019	2.4
119.08572	12.8
121.06506	1.6
121.10137	6.8
123.08051	1.2
123.11689	2.4
125.09644	1.6
129.07018	1.3
131.08565	4.5
133.08583	2.2
133.10124	5.9
134.10312	0.5
135.08049	20.0
135.11670	4.0
137.09633	1.0
137.13237	0.7
141.06969	0.6
142.07704	0.9
143.08546	2.1
145.06464	2.5
145.10139	6.9
147.08052	1.7
147.11664	8.2
149.09602	2.4
149.13271	2.4
151.11185	1.6
155.08568	1.4
156.09258	0.9
157.10150	3.5
158.07219	0.9
158.10826	0.8
159.08052	5.1
159.11693	7.0
160.08832	10.9
161.09560	2.3
161.13232	3.5
163.11153	2.3
163.14832	2.7
165.12718	1.1
169.10153	1.3
171.03621	0.6
171.08026	1.2
171.11688	2.6
172.08794	5.9
173.09613	10.1
173.13242	6.3
174.10284	1.0
175.11179	100.0
175.14731	2.4
176.11493	5.8
177.11276	0.7
177.12743	2.2
183.11691	2.0
185.13240	2.4
186.10410	7.4
187.11147	6.0
187.14806	2.5
189.12720	4.7
189.16330	2.2
191.14296	0.8
197.13211	1.5
198.10335	0.7
199.11182	7.9
199.14775	1.9
200.11597	1.1
201.12740	27.2
201.16364	2.3
202.13058	1.8
203.14308	1.1
203.17891	0.8
205.15892	1.4
207.17349	0.6
211.14842	1.3
213.12704	2.2
213.16356	2.2
215.14307	6.8
215.17860	3.0
217.15866	1.1
227.17796	0.8
229.15787	0.7
233.18930	0.9
239.14813	1.7
239.17860	0.5
243.17352	0.9
245.18929	1.3
255.21068	0.6
259.20605	1.0
269.18881	1.6
283.20496	0.8
403.33682	0.8
421.30750	57.1
422.31076	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	421.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.5
55.05510	16.1
57.03433	1.8
57.07076	9.7
58.78505	1.7
61.20971	1.4
63.38440	1.4
65.03946	1.8
67.05507	32.8
69.03437	1.6
69.07066	25.1
70.51563	2.7
71.04985	1.9
71.08640	2.0
79.05490	18.7
81.07057	59.2
83.05022	2.1
83.08619	11.4
85.06561	2.5
89.06034	3.9
91.05474	17.5
93.07045	34.7
95.04974	3.5
95.08607	95.8
96.08977	2.2
97.06538	3.6
97.10155	9.4
100.61809	1.3
105.07027	35.6
106.07426	2.2
107.08591	47.5
109.06563	3.4
109.10153	46.8
109.10876	2.5
110.10502	1.8
111.08099	3.1
111.11736	3.1
113.09683	2.0
117.07009	7.1
118.99710	1.6
119.08575	47.2
120.08891	2.0
121.10146	35.0
123.08093	2.9
123.11705	19.8
125.09636	1.9
128.06213	2.1
129.07027	3.4
130.07782	2.3
131.08597	16.4
133.08612	2.1
133.10132	25.5
135.08115	3.1
135.11685	20.4
136.11995	1.3
137.09619	2.6
137.13248	10.4
140.10672	7.7
142.07835	3.1
143.08527	11.5
145.10129	29.3
147.11685	23.2
149.13249	28.1
150.13667	2.4
151.14871	5.7
155.08592	5.1
156.09352	2.4
157.10161	16.5
157.13393	6.7
158.10820	1.9
159.08095	1.7
159.11716	23.1
160.12143	2.0
161.09647	2.5
161.13271	19.8
161.64391	1.5
163.11220	2.8
163.14822	14.3
169.10149	6.3
171.11667	15.3
173.13257	18.2
175.11261	3.2
175.14856	19.7
177.12767	3.8
177.16408	13.5
179.17966	1.4
181.10204	1.9
183.11768	5.7
185.13293	10.7
187.14836	17.6
189.12779	2.8
189.16389	21.4
191.14314	1.7
191.17952	10.4
195.11725	3.6
197.13316	6.0
199.14769	10.5
200.15317	1.8
201.16426	18.3
202.16835	2.3
203.14421	3.3
203.17932	15.3
207.11655	1.8
209.13293	2.9
211.14972	3.0
213.16367	11.1
215.17943	15.5
217.19536	11.6
218.82062	1.5
223.14951	2.3
225.16452	4.1
227.17969	6.9
229.19528	7.8
231.17528	3.6
231.21199	3.9
233.19180	1.9
237.16611	2.2
239.18024	4.4
241.19533	7.3
243.17419	3.7
243.21074	11.1
245.19035	5.2
245.22694	1.6
249.16295	1.9
251.18150	2.3
253.19626	4.1
255.21091	7.5
257.22647	3.3
265.19720	2.8
267.21082	3.6
269.19235	2.1
269.22760	8.1
271.20755	2.9
283.20688	3.4
285.22162	2.9
295.24442	2.5
297.25888	5.0
307.24234	2.4
311.23730	2.4
323.27463	1.6
325.25549	2.2
351.26901	1.8
365.28555	3.0
393.31381	10.4
393.35715	24.0
394.35782	4.1
403.33783	12.3
404.34122	2.5
421.29865	10.3
421.34756	100.0
422.35175	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	421.367
Annotation	3beta,5alpha,6beta-Cholestanetriol
Peak:m/z	Relative Intensity
52.46282	3.8
53.03949	6.1
53.18637	3.0
55.05509	24.0
56.59924	3.2
57.07076	14.9
67.05502	37.4
69.07068	33.4
69.20953	30.9
71.08636	7.3
79.05504	10.2
81.07071	33.5
83.08626	13.3
89.06026	6.3
91.05472	18.8
93.07048	72.7
95.04976	4.5
95.08609	59.4
97.06564	6.6
97.10168	7.8
98.23281	6.2
105.07048	11.0
107.08588	18.8
109.10155	12.1
111.08086	35.8
111.11752	5.2
118.50636	2.9
119.08608	14.6
119.97080	4.0
121.06472	4.6
121.10138	14.6
123.11731	9.2
125.09733	3.6
127.07589	7.6
133.08598	4.2
133.10152	12.9
135.11667	5.9
139.07526	23.5
145.00302	3.8
145.10159	5.2
147.11670	5.1
149.13237	4.5
153.09109	14.7
156.09422	4.7
159.11684	6.3
167.10727	7.5
181.12222	6.9
201.16411	4.6
263.23694	4.3
265.21805	6.1
279.23322	4.1
403.35663	61.3
404.36057	9.8
421.30951	7.5
421.36841	100.0
422.36993	15.0
433.37918	3.7
440.92453	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	422.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.2
52.03172	0.4
52.59871	0.4
53.03953	2.8
55.01876	0.9
57.03432	1.6
61.02919	0.6
69.03429	10.3
69.37888	2.9
71.04990	1.5
73.02918	0.9
78.03451	22.3
79.03805	0.7
80.05002	2.4
81.03414	21.4
82.03741	0.6
85.02907	9.5
86.41000	0.4
89.03869	0.5
91.62843	0.5
93.07056	1.0
94.69254	0.5
96.02116	2.1
96.04493	4.7
97.02892	5.7
98.22659	0.7
98.72675	0.5
99.04462	3.4
105.07082	0.6
106.02914	71.5
107.03254	1.5
109.02872	13.2
109.10131	0.4
111.04403	0.5
119.08606	0.8
124.03950	100.0
125.04272	3.1
127.03918	8.9
137.02333	53.3
138.02687	2.3
140.03357	0.5
145.04991	0.5
146.50807	0.4
155.03409	0.9
161.13286	0.8
163.07332	0.5
166.05020	1.1
167.07048	1.8
179.03528	0.7
196.05959	0.8
208.06003	0.7
209.00613	0.5
225.14825	0.6
232.06071	1.0
232.09776	0.5
250.07106	32.1
251.07385	1.6
260.09229	1.4
268.08160	32.1
269.08444	1.8
310.43469	0.5
316.97122	0.4
404.09750	18.0
405.09967	1.5
422.10693	10.8
423.10992	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03907	2.8
69.03419	3.5
71.33150	2.8
76.70766	2.5
81.07043	3.1
85.02902	13.8
88.38943	2.3
91.05476	9.8
95.04939	5.0
97.02874	5.4
107.04937	2.7
109.06526	14.7
109.07181	2.5
119.04958	4.0
123.04414	18.1
133.02869	8.5
137.05969	32.3
141.26201	2.4
145.05046	4.0
147.04395	3.4
153.05371	3.1
155.07001	5.1
165.05479	31.2
167.07002	8.1
179.07047	51.3
180.07333	3.3
183.06496	8.6
184.06778	2.4
193.04994	5.8
197.08083	68.1
225.07607	7.1
243.08638	100.0
244.08992	7.0
244.87474	2.9
245.04460	8.9
363.76974	2.5
399.78055	2.7
422.16907	3.8
423.07010	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.4
55.05507	4.3
57.45754	1.4
66.87529	1.4
67.05508	10.0
69.03436	7.5
69.07032	1.9
69.11359	14.6
71.04955	2.2
71.34230	1.4
79.05491	18.7
81.03374	2.0
81.07049	8.9
83.04976	4.8
85.02914	12.6
91.05459	8.4
92.24470	1.5
93.07040	3.6
95.04968	8.5
95.08605	2.9
97.02893	2.9
97.06513	6.1
98.22607	4.1
99.04449	6.3
105.07011	11.5
105.20078	1.5
107.04957	28.1
107.08586	3.7
108.05295	1.9
109.02840	2.1
109.06487	3.6
109.10151	34.6
110.39207	1.4
111.04399	3.9
117.07029	3.1
118.21668	1.4
119.08544	12.6
121.06481	3.0
123.04466	2.4
125.05975	3.5
128.06215	5.9
129.06996	2.1
133.10115	11.0
137.06001	2.3
137.09612	55.1
138.09930	2.6
140.04660	2.4
143.06975	1.7
143.07454	1.8
143.08524	16.2
145.10069	3.3
146.07268	2.9
147.08041	23.7
151.03926	3.5
151.07474	1.7
155.07025	3.8
161.09610	95.5
162.09946	5.1
163.11185	3.5
165.09102	100.0
166.09358	2.9
167.06999	3.6
174.06686	2.5
179.10648	9.2
189.09114	10.3
195.06480	2.0
197.11719	2.7
207.10153	95.1
208.10478	6.3
211.22885	1.8
225.11189	44.5
392.19998	1.4
407.65338	1.6
422.22665	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	422.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62990	2.9
53.03952	3.1
55.05509	4.8
65.71698	2.7
67.05499	10.8
68.49301	2.6
69.03459	39.7
71.04981	6.8
78.03451	5.6
79.05476	10.3
81.03407	11.1
81.07069	17.4
85.02904	22.9
91.05471	22.2
93.07035	10.3
95.04967	5.2
95.08594	8.7
97.02885	8.0
99.04441	24.3
105.07029	58.7
106.02912	17.3
106.07343	3.0
107.04954	5.4
107.08566	5.6
109.02843	4.1
109.06536	17.2
109.10142	48.5
119.04969	3.0
119.08588	35.7
121.06506	7.4
121.10117	2.8
121.72793	3.4
123.04419	4.7
123.08060	7.4
124.03954	28.8
127.03928	6.2
129.07039	2.9
133.06468	9.7
133.10115	70.1
137.06017	13.7
137.09604	29.9
139.03860	2.8
145.10132	6.9
147.04411	6.2
147.08046	7.7
151.03923	4.5
151.07538	46.7
155.10661	21.1
161.05983	9.0
161.09605	59.8
163.11162	59.9
165.09087	38.8
167.07019	8.2
175.07591	4.9
179.10666	95.8
179.12256	4.8
181.04984	3.3
189.09087	58.1
207.10152	63.8
225.11208	100.0
226.11568	6.9
243.12321	4.7
245.04359	4.1
250.07115	9.1
268.08081	7.7
292.04056	17.2
324.05771	3.4
341.06348	3.3
342.06528	10.5
422.14429	9.2
422.23267	3.5
423.03415	9.2
442.10797	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	422.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62990	2.9
53.03952	3.1
55.05509	4.8
65.71698	2.7
67.05499	10.8
68.49301	2.6
69.03459	39.7
71.04981	6.8
78.03451	5.6
79.05476	10.3
81.03407	11.1
81.07069	17.4
85.02904	22.9
91.05471	22.2
93.07035	10.3
95.04967	5.2
95.08594	8.7
97.02885	8.0
99.04441	24.3
105.07029	58.7
106.02912	17.3
106.07343	3.0
107.04954	5.4
107.08566	5.6
109.02843	4.1
109.06536	17.2
109.10142	48.5
119.04969	3.0
119.08588	35.7
121.06506	7.4
121.10117	2.8
121.72793	3.4
123.04419	4.7
123.08060	7.4
124.03954	28.8
127.03928	6.2
129.07039	2.9
133.06468	9.7
133.10115	70.1
137.06017	13.7
137.09604	29.9
139.03860	2.8
145.10132	6.9
147.04411	6.2
147.08046	7.7
151.03923	4.5
151.07538	46.7
155.10661	21.1
161.05983	9.0
161.09605	59.8
163.11162	59.9
165.09087	38.8
167.07019	8.2
175.07591	4.9
179.10666	95.8
179.12256	4.8
181.04984	3.3
189.09087	58.1
207.10152	63.8
225.11208	100.0
226.11568	6.9
243.12321	4.7
245.04359	4.1
250.07115	9.1
268.08081	7.7
292.04056	17.2
324.05771	3.4
341.06348	3.3
342.06528	10.5
422.14429	9.2
422.23267	3.5
423.03415	9.2
442.10797	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	422.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
60.28034	1.3
67.05507	2.9
69.07071	2.8
71.32920	2.4
79.05482	6.8
81.07050	4.1
91.05476	4.5
93.07030	1.9
95.08608	3.7
98.67735	1.4
103.05466	3.5
105.07024	6.5
107.04951	42.3
107.08572	4.0
108.05290	1.6
109.10153	2.7
113.41050	1.4
115.05437	2.9
117.06985	1.9
119.08587	3.7
121.10204	2.1
125.05979	1.9
131.08511	2.3
135.08020	11.6
145.07594	2.0
145.10143	2.9
147.04482	1.8
147.11687	2.3
151.07559	1.6
154.06219	2.8
156.07230	1.4
159.11656	2.1
163.07552	19.9
167.07019	20.2
171.81612	1.4
180.07805	3.3
185.13316	1.8
187.14815	1.7
189.16391	1.6
193.08572	4.0
194.14622	1.5
195.10158	100.0
196.10516	4.9
271.05951	2.3
365.33624	1.4
423.23746	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	422.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.0
57.03447	2.1
57.07061	1.7
64.04711	1.3
67.05504	4.9
69.03416	5.3
69.07071	1.9
70.06570	1.3
71.00700	2.3
71.04991	2.3
75.18402	1.1
79.05501	5.2
81.03413	3.2
81.07046	13.4
83.04980	1.9
85.02906	14.0
85.06532	1.6
91.05470	8.5
92.05817	1.9
93.07038	11.5
94.07347	1.5
95.04977	3.3
95.08615	6.5
97.02888	4.2
99.04450	5.6
103.05436	2.3
105.07030	55.9
106.07349	2.0
107.04959	4.0
107.08602	9.0
109.06512	2.8
109.10157	9.9
111.08013	1.6
119.08582	67.1
120.08858	1.5
121.02839	1.8
121.06537	2.7
121.10131	18.5
122.02411	1.9
123.04424	2.2
123.08101	2.7
124.03972	1.7
127.03917	3.1
129.06993	1.7
133.06517	2.6
133.10107	16.7
137.05988	4.1
137.09628	6.4
138.05466	2.8
140.07004	1.9
145.05031	1.6
147.04388	5.1
147.07973	3.2
148.04723	2.3
149.05984	3.2
151.07547	8.2
153.05455	2.7
155.10652	2.7
157.06644	1.5
161.09627	9.4
161.13260	100.0
162.13608	6.0
163.11188	7.9
163.14772	1.6
165.09128	6.8
167.07065	8.4
167.10687	1.7
168.07388	4.1
175.07552	6.1
176.07884	5.3
179.10706	10.9
179.14317	30.0
180.14667	3.9
181.06537	1.5
181.08492	2.9
182.08960	4.4
189.09100	7.1
193.08594	2.5
194.08989	1.9
197.05820	1.3
207.10190	9.1
207.13780	16.5
225.11356	18.2
225.14842	55.8
226.15166	3.9
242.10495	2.6
243.15874	1.7
244.09207	1.6
341.27454	1.4
341.77063	1.4
346.13803	2.3
347.14493	3.6
348.14990	3.2
422.14279	6.3
423.16199	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80264	0.3
57.03436	0.6
57.04776	0.4
69.03420	1.2
69.40321	1.6
69.40733	0.8
71.04999	0.6
73.02941	0.6
81.03444	1.0
83.04983	0.5
85.02921	2.0
91.05486	1.6
91.64345	0.5
92.05871	0.5
92.95969	0.4
93.07013	0.5
95.04950	0.5
96.44776	0.4
97.02903	0.8
97.06542	0.4
102.09374	0.4
106.02956	1.0
108.11330	0.3
109.02905	0.9
123.04478	0.6
124.03972	1.3
125.04287	1.0
137.02380	0.8
157.06439	0.5
163.71550	0.4
167.07141	0.7
185.04253	0.9
189.49419	0.4
191.03171	3.7
208.94023	0.4
217.08354	0.5
243.81195	0.4
259.08240	0.7
261.07352	18.9
262.07709	0.8
269.08667	0.5
353.08557	2.3
379.13461	0.5
405.12732	1.1
423.12613	100.0
424.12915	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68490	0.8
56.96547	0.9
58.99859	1.3
68.35520	0.8
69.03423	1.0
70.06574	1.1
70.77733	1.2
70.78059	1.1
70.99841	0.8
81.03403	0.9
82.99811	3.9
85.02896	1.7
94.99837	1.2
97.01418	1.4
97.02885	1.9
98.97581	1.9
101.00881	33.1
102.00976	1.5
103.02474	1.6
113.00870	12.7
113.04451	1.1
115.02422	5.7
119.01921	35.9
120.02008	2.1
121.06503	1.6
125.00892	0.9
127.02431	2.7
129.03998	4.0
131.01900	25.0
131.05536	13.1
132.02005	1.3
132.05609	1.2
133.03450	5.5
137.00844	3.5
137.02971	2.5
137.05991	1.1
138.01651	1.0
143.01900	100.0
144.02005	7.4
145.01675	0.8
145.03467	11.3
147.01387	1.9
147.05038	4.5
149.02954	1.9
149.06653	12.9
153.03987	1.0
155.01888	36.5
155.05475	4.4
156.02646	2.7
157.02336	0.8
157.03465	5.2
159.05054	5.4
161.02959	98.2
162.03094	6.8
163.04556	1.2
167.05554	2.5
167.07066	10.2
169.03403	0.9
169.07118	2.2
171.01115	4.4
171.04994	4.2
172.01459	2.0
173.00726	1.1
173.02969	23.5
173.06599	40.5
174.03117	1.8
174.06810	3.3
175.04518	1.9
175.08142	1.2
177.06137	5.3
178.19507	0.8
183.01187	0.8
184.04584	1.8
185.03014	3.6
185.06587	42.8
186.06758	2.6
187.04602	1.7
187.08147	7.6
189.06114	1.0
191.07631	8.3
197.06587	2.4
199.08188	3.0
201.06152	4.1
201.09750	0.9
203.03996	10.8
203.07646	17.5
204.07826	0.8
205.09201	1.5
209.06485	1.5
209.08170	2.6
213.05977	0.9
215.07648	15.4
216.07896	1.5
217.09378	1.5
219.07085	1.2
221.05061	23.2
222.05168	2.2
227.07271	1.3
227.09401	4.7
233.08690	4.1
245.05002	1.1
257.08713	6.4
275.06744	1.8
275.09750	38.8
276.10028	4.7
293.10806	91.3
294.10980	8.6
301.00998	0.9
335.11884	3.6
363.11172	1.5
373.09958	1.4
405.12350	19.1
406.12555	1.8
406.74710	0.8
423.13446	65.3
424.13763	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	423.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68925	5.2
53.66175	5.4
55.05510	8.5
56.07266	4.6
60.63916	5.4
61.64558	5.2
67.05482	6.9
69.07059	9.4
69.08112	52.9
79.02155	5.0
79.05482	8.8
81.07030	13.2
91.05482	18.1
93.07050	8.2
95.04964	8.2
95.08601	27.3
105.07020	17.5
107.04945	5.9
107.08599	14.3
108.20914	5.2
109.10143	10.5
119.08598	18.7
121.10126	13.9
123.04468	6.4
131.08559	13.7
133.10115	10.1
135.11728	8.5
145.10123	13.1
147.11723	9.5
149.13211	6.6
159.11659	9.3
161.13258	7.4
163.14900	6.6
167.07054	9.0
173.13255	10.6
175.14816	8.9
183.11726	5.8
185.13257	11.9
187.14725	10.9
189.16344	6.9
201.16385	7.1
271.05917	25.4
273.03958	9.6
369.73465	6.1
405.31964	7.0
423.14520	100.0
423.19290	8.6
423.23636	24.3
423.32681	29.8
424.14459	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	423.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
64.88969	0.3
67.05509	0.4
71.32494	0.5
79.05471	0.5
81.07057	0.5
83.01107	0.9
91.05484	0.4
93.07023	0.4
95.01076	1.2
95.08609	0.5
96.01856	0.5
105.07015	0.7
112.01359	0.6
113.02159	2.2
119.08602	0.4
123.04439	0.4
126.02906	0.5
133.06480	0.3
135.04367	1.4
137.06017	0.6
141.05276	0.3
145.10144	0.3
146.03336	0.3
151.03865	0.4
153.01820	0.5
157.04684	0.5
159.11743	0.6
161.13330	0.3
167.07018	0.5
169.04710	0.3
171.00986	0.3
171.04160	0.3
175.14967	0.4
181.08586	0.5
185.04196	3.3
186.06519	1.7
187.14874	0.4
201.03722	1.3
203.05170	0.9
209.08025	0.3
210.09004	0.3
213.07571	0.4
219.06190	1.8
259.07950	0.5
261.10983	1.0
271.05872	1.6
382.12466	0.8
384.41980	0.3
408.14395	0.3
423.16220	100.0
424.16525	8.5
425.43112	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26648	0.3
62.05030	0.3
70.21167	1.1
74.86662	0.4
83.01095	1.2
89.46711	0.3
95.01083	2.5
96.01867	0.7
99.50555	0.3
105.07046	0.3
108.68995	0.3
112.01333	0.8
113.02126	2.5
123.04412	0.3
129.20116	0.3
137.05963	0.4
140.57191	0.3
144.00304	0.4
157.04736	0.6
167.03195	0.7
167.07050	1.0
171.04230	0.6
185.04214	3.7
185.05717	0.6
186.06503	6.4
187.07185	0.4
194.34184	0.3
198.79440	0.3
201.03731	1.5
203.05299	0.9
213.00854	0.3
243.08572	0.5
259.08005	1.1
261.10904	0.8
392.14362	0.5
423.16232	100.0
424.16541	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	423.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
66.45725	0.7
69.07069	0.7
69.37021	5.2
72.12511	0.7
79.05463	0.8
81.23249	0.7
81.65122	0.6
85.02885	0.7
91.05457	1.1
95.04950	1.6
105.07012	0.7
114.34489	0.6
119.05012	0.6
119.08555	0.9
120.25494	0.6
121.02821	1.2
123.04398	1.2
137.02399	0.9
137.05908	2.7
138.06241	0.8
147.04393	0.8
149.05989	1.5
151.03859	2.8
153.01808	0.8
161.05974	1.6
167.07043	1.5
185.04185	6.9
217.12029	0.9
227.05479	1.1
245.04463	1.5
257.04507	1.7
261.10971	100.0
262.11304	6.7
401.55661	0.7
423.07016	3.2
423.16245	68.0
424.16617	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	423.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.4
55.01863	1.4
55.05508	0.5
57.03405	0.5
61.02915	4.3
61.06653	0.5
61.78645	0.4
65.03934	2.1
67.05494	1.9
69.03407	0.8
71.01346	0.8
71.32430	0.7
78.04697	1.7
78.33939	0.4
79.05487	2.5
80.81057	0.4
81.03407	1.8
81.07045	1.2
83.04956	0.5
85.02895	1.0
91.05459	1.0
93.03408	0.9
93.07050	0.9
95.04962	20.9
95.08585	0.5
105.04516	1.4
105.07012	0.7
106.04137	1.3
107.04963	2.3
107.08568	0.8
108.02103	1.4
109.02876	1.3
109.06496	1.3
119.04960	0.7
119.08607	0.7
120.02006	0.5
121.06476	1.6
121.10146	0.9
123.04423	27.3
124.05190	1.6
125.05935	1.2
127.03882	1.0
127.07515	0.5
131.04858	0.6
133.02843	0.6
135.04384	1.9
137.05986	3.2
139.07538	1.8
140.04669	5.7
141.05466	0.8
147.04405	1.3
149.05962	2.7
150.06776	0.6
151.03905	17.3
151.05009	1.3
151.07541	1.1
152.04652	1.6
153.05464	1.7
153.09128	0.6
155.07022	11.7
161.02161	0.9
161.05907	0.8
161.09521	0.7
163.03850	0.8
163.11143	1.3
165.05486	0.9
167.07028	100.0
168.07391	3.5
169.08588	0.8
177.05466	3.0
178.06244	2.1
179.00252	0.5
179.06969	1.0
181.04906	0.8
181.08594	1.3
183.06516	32.5
184.06888	1.7
184.84801	0.5
191.10672	0.6
195.06526	1.7
196.07292	1.0
197.01282	0.7
209.08043	4.6
211.09662	0.7
227.09135	9.4
227.12621	2.2
228.09700	0.7
245.04456	0.6
271.06097	0.7
285.09467	8.5
303.10461	10.9
336.24084	0.5
343.01144	0.6
361.02063	0.8
371.17059	0.8
423.07065	0.8
423.12476	14.2
424.12921	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14525	0.8
69.22861	7.6
78.04698	2.6
79.05479	2.1
81.16170	0.8
81.49780	0.9
91.05460	1.6
98.23238	1.7
105.07006	1.4
106.04144	1.7
107.04927	3.1
111.25529	0.9
123.04418	7.9
124.05177	1.7
133.06482	1.4
151.03883	2.2
152.04593	1.4
152.16232	0.8
167.07031	100.0
168.07352	5.7
173.48204	1.0
193.08600	2.5
195.10219	2.2
196.62047	1.0
211.09523	2.4
271.06000	6.4
331.62881	0.9
423.10583	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	423.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.4
55.72160	1.1
58.65049	1.3
69.07054	2.0
69.08348	13.2
73.09867	1.3
78.04706	2.8
79.05492	4.9
81.07064	3.2
91.05504	3.7
93.07028	2.0
95.04977	1.6
95.08590	2.7
98.22601	2.9
103.05510	1.9
104.08083	1.5
105.07033	4.9
106.04169	2.0
107.04917	8.1
107.08594	2.2
109.10184	2.2
109.42002	1.2
119.08533	1.6
121.10185	2.1
123.04428	6.9
124.05181	1.4
131.08499	1.4
133.10114	2.3
135.08099	3.2
137.05991	2.1
143.08618	1.5
151.03938	2.3
157.10188	2.6
159.11642	1.4
163.07607	2.7
165.09117	1.9
167.07028	100.0
168.07425	4.5
175.14833	1.6
177.05612	1.4
193.08578	4.1
195.10158	12.8
211.09680	4.1
241.04945	5.1
253.04750	1.3
256.03577	1.6
271.05988	24.6
319.27762	1.7
364.17911	1.4
422.99603	2.4
423.11636	6.4
423.19131	7.1
423.23706	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	423.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
55.01867	0.6
56.38734	0.4
57.44929	0.3
58.58607	0.4
65.03949	0.6
66.04717	0.5
67.05501	0.4
68.99762	0.5
71.32800	0.4
78.04714	2.9
79.05492	2.7
81.07055	0.9
85.02916	0.4
88.12685	0.4
91.05470	2.3
93.07030	1.0
95.04959	2.3
99.98273	0.3
103.05450	1.9
105.07028	5.9
106.04144	1.5
107.04966	2.2
109.02876	0.8
109.06544	0.6
115.05434	0.8
118.04140	1.5
119.04935	0.9
121.06480	1.6
122.07262	0.7
123.04422	8.5
123.08051	0.5
124.05185	1.7
128.98294	0.4
131.04878	0.4
133.06487	5.5
134.03632	0.8
135.04404	1.0
135.08012	1.1
137.02328	0.6
137.05971	3.0
140.04649	0.5
146.47620	0.4
147.04367	0.5
149.05969	1.4
150.06784	2.9
151.03909	2.0
151.07536	1.8
151.35773	0.4
152.04684	2.1
153.05470	0.7
155.06953	0.5
161.06000	1.1
163.07584	0.6
165.05257	0.5
165.09088	2.6
167.03363	2.5
167.07030	100.0
168.07390	3.8
179.07024	1.0
179.10719	0.4
181.08554	0.8
183.06552	1.3
187.14830	0.4
190.71852	0.4
193.08594	15.8
194.08981	0.6
205.08556	0.6
211.09647	17.2
212.10065	1.2
218.37146	0.4
221.05960	0.8
239.07094	0.5
249.05482	0.9
271.05911	0.8
295.06085	0.6
299.08859	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
53.44734	0.7
55.05507	1.9
67.05505	3.6
69.07047	1.9
70.06596	1.9
71.04996	1.0
71.31779	0.8
71.52689	0.7
72.04502	1.4
76.43637	0.7
78.04696	2.7
79.05486	3.0
81.07061	4.5
84.42551	0.8
85.02903	1.2
85.06541	2.1
91.05480	4.1
93.03410	0.9
93.07054	4.5
95.04958	2.5
95.08609	6.7
99.70800	0.9
103.05468	1.2
105.07037	7.6
106.04155	1.2
107.04967	1.4
107.08606	4.5
109.02843	0.9
109.06551	1.1
109.10138	5.3
117.07040	1.4
119.08574	4.8
121.06512	1.2
121.10148	3.1
123.04418	8.4
123.08004	1.2
124.05232	1.0
128.06210	0.8
129.06982	2.3
131.08559	4.6
133.06496	1.2
133.10109	4.2
135.04330	0.8
135.11673	2.6
137.05965	2.1
143.08548	2.3
145.10110	6.1
147.04471	1.1
147.11636	2.4
149.05992	0.9
149.13258	1.5
151.03934	3.0
151.07585	1.4
152.04689	2.1
155.07059	1.0
155.08516	1.7
157.06622	0.9
157.10123	1.8
159.11739	4.8
161.05989	1.2
161.13283	1.2
163.01817	0.8
165.09181	0.9
167.07039	100.0
168.07410	4.0
171.11739	2.3
173.13316	2.2
175.14839	1.4
179.30013	0.8
181.08632	1.2
181.10133	0.9
183.06494	1.4
183.11681	1.1
185.13268	1.3
187.14795	2.9
189.16394	1.9
193.08559	3.9
199.14833	1.6
201.16400	5.1
209.13306	1.4
211.09666	2.3
211.14862	1.1
215.14360	1.1
223.14876	1.5
237.16286	1.5
251.17957	1.0
253.19580	0.9
259.70465	0.8
263.18073	1.0
268.04666	0.9
269.18988	0.9
270.16580	0.9
273.14459	0.9
279.06433	1.6
291.10205	1.7
317.22583	0.9
329.21143	1.1
359.27301	3.0
377.28424	4.2
405.27750	3.3
423.16150	0.8
423.28891	23.0
424.17569	12.7
424.29337	1.9
449.94217	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92161	0.5
55.01859	0.6
58.24911	0.5
78.04707	3.3
79.05482	1.4
81.07048	0.6
91.05476	2.2
95.04947	0.9
95.08546	0.6
103.05453	0.6
105.07015	1.5
106.04165	1.8
107.04927	2.2
109.02875	0.8
109.10133	0.6
115.05492	0.6
116.11557	0.5
120.61580	0.5
122.03678	0.5
123.04430	7.0
124.05185	1.6
126.59071	0.5
133.06494	1.2
134.03618	0.5
137.05981	5.0
146.03598	1.0
149.05963	1.2
151.03905	1.6
151.07486	1.0
152.04666	1.7
161.05974	6.6
162.06355	0.6
163.07549	1.0
167.07027	100.0
168.07390	3.9
175.07526	2.2
179.07011	0.9
181.08604	1.1
193.08607	4.6
195.10152	1.1
197.43034	0.5
205.09984	0.7
211.09645	2.3
265.08548	1.2
265.11954	0.5
269.07959	0.7
271.05792	2.4
284.10367	0.7
293.11667	1.7
297.11292	1.2
297.14926	0.5
311.12793	1.4
325.14258	1.9
343.15369	4.7
391.08466	1.4
423.11209	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	423.2352
Annotation	Arg Phe Thr
Peak:m/z	Relative Intensity
55.05510	1.0
57.07072	0.7
58.06592	0.2
59.19078	0.2
65.03937	0.5
67.05507	4.3
69.07079	1.2
70.06604	0.7
70.73725	0.2
71.05020	0.3
71.06921	0.3
71.31768	0.3
79.05505	1.4
79.81362	0.2
81.07057	2.6
83.04993	0.3
83.08630	0.8
88.07626	1.4
89.07969	0.2
91.05476	1.3
93.07051	2.1
95.04967	0.3
95.08619	2.2
97.06525	0.2
102.09181	0.5
105.07022	1.6
107.08606	1.8
109.10162	2.7
111.08118	0.5
117.07039	0.4
119.08595	1.5
121.10137	1.4
123.08077	0.4
123.11724	0.5
125.09607	0.3
131.08565	1.2
133.10143	1.4
135.08031	0.3
135.11720	0.8
143.08553	0.4
145.10110	1.2
147.11716	0.6
149.02351	4.2
149.03481	0.4
149.13287	0.8
150.02667	2.1
157.10155	0.5
159.11693	1.1
161.09627	0.3
161.13300	0.5
163.14876	0.3
171.11717	0.4
173.11787	0.5
173.13295	0.6
175.14799	0.5
177.16440	0.2
185.13240	0.4
187.14867	1.1
189.16423	0.5
193.04964	4.1
194.05302	3.2
195.11841	0.3
197.13342	0.3
201.12885	0.3
201.16412	1.0
213.16428	0.3
217.19377	0.2
225.16353	0.4
227.18117	0.2
229.19556	0.3
231.17494	0.2
237.16486	0.4
256.26352	1.4
257.26685	2.9
269.57324	0.2
295.15109	0.2
303.50629	0.2
315.04572	0.3
399.34470	0.2
405.31384	0.8
423.23563	100.0
423.28876	7.0
424.18021	0.5
424.23889	9.6
424.29318	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73744	1.2
53.03947	1.5
55.01874	2.2
55.05511	14.0
57.07061	4.1
57.33952	1.3
59.04940	1.5
61.85817	1.3
65.03943	1.5
67.05498	27.5
69.03423	1.2
69.07059	14.8
71.04986	3.3
71.08640	1.6
79.05487	14.0
81.07053	41.9
82.07383	1.5
83.04987	4.2
83.08615	9.0
85.06532	4.4
91.05484	14.5
93.07038	27.3
95.04947	3.1
95.08002	2.7
95.08603	42.2
97.06532	2.7
97.10174	6.4
99.08060	1.4
103.05421	1.2
105.07042	21.1
107.08591	34.4
109.06529	4.4
109.10153	26.1
111.08067	4.1
117.06992	3.6
119.08574	30.5
120.09000	1.2
121.06486	2.3
121.10137	27.8
123.08086	9.1
123.11715	14.4
125.09583	3.2
127.11215	1.9
129.06961	3.7
130.07753	1.3
131.08568	13.1
133.06493	1.5
133.10121	26.0
134.45309	1.2
135.08057	7.9
135.11684	18.6
137.09592	3.7
137.13240	4.1
139.11215	1.6
142.07744	2.2
143.08559	6.8
144.09283	1.8
145.10114	22.0
147.08063	2.9
147.11684	16.7
149.09584	2.8
149.13246	11.5
151.07521	1.8
151.11188	3.9
155.08551	1.6
156.09370	1.6
157.10143	11.0
159.11674	16.8
161.09639	3.7
161.13234	11.6
162.13554	1.3
163.11201	3.9
163.14828	10.7
165.12755	2.7
169.10149	3.6
170.10814	1.5
171.11674	9.7
172.12155	1.5
173.09697	2.2
173.11903	2.0
173.13277	11.3
175.11168	3.6
175.14821	8.1
177.12767	2.9
177.16357	3.8
179.14337	4.1
183.11745	3.1
185.13251	8.4
187.11298	2.5
187.14804	15.2
189.12723	2.1
189.16330	13.1
191.14317	3.0
191.17975	5.3
197.13257	3.6
199.14842	6.8
199.16412	1.5
201.12788	2.1
201.16379	11.7
203.14331	4.6
203.17999	6.4
205.15887	3.2
211.14902	2.9
213.16338	6.1
215.17984	5.6
217.15880	3.2
217.19501	3.5
219.17378	2.5
223.14772	1.5
225.16342	1.6
227.17874	7.5
229.19536	1.8
233.15321	1.9
239.17906	2.4
241.19530	3.5
253.19444	2.4
261.22046	1.9
269.22583	2.8
285.22186	1.6
293.22217	1.6
309.25555	1.6
331.26294	3.7
377.32288	2.7
405.31033	7.8
405.35773	2.0
423.27106	100.0
423.32214	33.3
423.36414	11.9
424.27448	9.2
424.32837	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	423.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.8
55.05506	3.6
57.07064	1.2
57.86681	0.5
63.98782	0.5
67.05503	6.0
69.07067	5.7
69.24464	0.7
69.24872	3.6
71.08630	0.8
79.05487	4.9
80.78162	0.5
81.07053	11.2
83.08605	3.1
91.05467	5.3
93.07037	9.8
95.04971	0.8
95.08606	15.5
96.08919	0.6
97.06522	1.0
97.10151	0.9
99.08103	0.6
105.07027	9.2
107.08590	14.1
107.09332	0.7
108.08911	0.6
109.06494	1.2
109.10155	8.9
111.08071	0.6
111.11686	0.7
117.07006	1.7
119.08578	13.0
121.10153	8.0
123.08068	1.7
123.11696	3.9
123.24854	0.5
125.09660	0.8
127.11121	0.5
129.06984	1.7
131.08551	5.2
133.10121	9.7
135.07988	0.8
135.11684	5.1
137.09616	0.8
137.13231	1.7
143.08531	2.9
145.10123	8.3
147.07991	0.6
147.11665	6.3
149.09631	1.0
149.13257	5.9
153.09131	0.6
153.12791	0.7
155.08492	1.3
156.09273	0.7
157.10143	4.2
159.11678	7.3
160.12244	0.5
161.09720	0.7
161.13261	5.1
163.11099	0.6
163.14796	6.7
165.09154	0.5
169.10114	1.2
171.11714	3.0
173.09593	0.8
173.13240	5.2
175.11368	0.5
175.14822	4.6
177.12802	0.7
177.16422	3.0
183.11705	2.0
184.12474	0.5
184.80354	0.5
185.13316	3.4
187.14822	10.1
189.12781	1.2
189.16382	9.7
191.17947	1.8
195.11671	1.1
195.13713	0.6
197.13271	1.4
199.14792	3.2
201.12668	1.0
201.16383	5.8
203.14345	1.2
203.17969	3.7
204.06438	0.5
205.15833	1.0
207.17522	0.6
209.13219	0.5
211.14810	1.4
213.12729	0.6
213.16362	2.8
215.14421	0.9
215.17950	3.3
216.34846	0.5
217.19437	1.0
225.16394	1.6
227.17883	2.0
229.19522	1.6
231.21150	0.6
233.15331	0.5
239.17877	1.2
241.19424	1.3
247.16968	0.8
253.19487	2.0
255.21042	1.2
257.22705	0.7
261.18359	0.8
267.20956	0.9
271.20413	0.8
273.18530	1.1
275.20081	0.8
281.22610	1.8
299.20068	1.4
377.28430	0.5
377.32098	4.8
405.31284	2.4
423.27063	100.0
423.32513	26.5
424.27411	8.9
424.32822	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	423.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.7
53.03943	2.6
55.01876	1.4
55.05512	14.3
57.03437	3.0
57.07078	2.6
59.04992	3.1
63.25836	0.5
65.03941	3.4
67.05503	100.0
68.05842	1.9
69.03442	0.9
69.07069	11.5
69.10217	4.6
69.10619	0.9
71.04999	4.0
74.36914	0.6
77.03932	0.6
79.05492	20.7
79.05949	1.2
81.03435	1.7
81.07055	48.7
83.04969	3.0
83.08618	11.9
85.02921	0.7
85.06536	3.9
86.68710	0.5
91.05479	18.8
93.07045	29.2
94.07339	0.6
95.04956	4.2
95.08604	15.0
96.08940	0.6
97.06525	5.7
97.10158	1.0
99.08072	1.4
101.06028	0.8
105.04511	0.9
105.07026	8.7
107.08587	19.7
109.06542	1.9
109.10155	56.9
109.20409	0.6
110.10484	1.9
111.08060	4.1
111.11699	0.7
113.05936	0.9
113.09663	0.8
117.06997	5.4
119.08570	10.3
121.06509	1.3
121.10141	9.9
123.08042	1.1
123.11699	3.0
125.09639	0.8
129.07019	1.5
131.08589	6.3
133.10121	9.3
135.08081	2.4
135.11682	6.6
137.09592	2.9
143.08586	1.8
145.10153	3.1
147.08134	0.8
147.11708	2.6
149.09612	1.5
149.13248	14.6
151.11243	1.0
155.10648	4.4
157.10162	2.1
159.11699	7.9
161.13281	2.1
163.14839	1.1
165.09184	1.0
169.10155	1.5
171.11700	1.9
173.11745	15.6
173.13219	1.6
175.14854	1.1
177.12714	3.0
177.97841	0.6
183.11732	1.0
185.13214	1.5
187.14856	1.8
189.16446	1.8
191.10658	0.8
195.12010	1.2
195.13776	8.4
197.13298	0.9
199.11113	0.8
199.14803	1.2
201.12805	0.6
201.16409	0.9
203.17935	0.9
205.15764	0.6
209.13326	0.7
213.14896	1.0
215.17946	1.1
387.25610	0.8
397.15707	0.6
405.31616	1.4
423.23743	5.4
423.27539	37.5
423.32654	3.7
424.28052	2.9
436.67496	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47654	1.3
51.02367	1.6
53.03937	5.5
55.01871	8.5
55.05511	86.5
56.05843	1.7
57.03440	3.1
57.07069	4.8
59.05003	3.6
65.03947	3.8
67.05504	100.0
69.03429	6.1
69.07065	40.9
69.07446	1.7
70.33561	1.2
71.04983	4.3
73.06541	1.4
77.03922	1.9
79.05492	65.0
81.07054	98.6
82.07381	2.0
83.04977	8.6
83.08620	53.2
84.08946	1.7
85.06556	8.4
86.26855	1.5
91.05476	37.3
92.05771	1.6
93.07042	67.5
95.04980	8.6
95.08604	67.1
96.08901	2.1
97.06512	10.3
97.10168	89.2
97.81452	1.3
98.10484	1.9
99.08080	4.2
100.41664	1.2
101.09653	1.6
105.04465	1.8
105.07031	37.1
107.05019	1.5
107.08593	65.7
109.06523	5.5
109.10155	46.1
111.08101	10.5
111.11709	2.1
113.06016	1.9
113.09682	1.6
117.07021	11.7
119.08575	34.2
121.06508	3.7
121.10140	58.1
122.10445	3.0
123.08060	6.3
123.11695	10.8
125.09628	65.0
126.09985	2.1
127.11166	1.3
128.06247	2.1
129.07018	5.7
131.08583	21.5
133.10129	32.4
135.08054	10.2
135.11688	38.7
136.12070	1.8
137.09618	9.0
137.13254	3.9
139.07536	1.4
139.11179	5.0
141.07027	2.3
143.08575	8.0
143.10696	3.7
145.10114	23.6
147.08005	2.7
147.11684	20.8
149.09616	5.8
149.13257	13.6
150.13515	1.4
151.11189	6.2
153.09108	11.2
153.12738	1.8
155.08513	4.4
157.10143	9.6
159.11691	18.7
161.09648	2.3
161.13252	13.6
163.11211	2.7
163.14838	12.2
165.12738	2.8
169.10143	4.7
170.10970	1.7
171.10191	5.8
171.11681	9.7
173.09569	1.8
173.11749	4.2
173.13278	9.6
175.11165	3.1
175.14835	11.1
177.12787	2.6
177.16386	3.8
179.14337	2.0
183.11652	3.1
185.13258	9.0
187.11229	1.8
187.14798	15.0
189.11217	55.5
189.12691	3.3
189.16426	8.1
190.11650	1.7
191.14310	1.6
195.11739	2.0
195.13832	2.4
197.13332	3.0
199.14822	6.2
201.12743	4.1
201.16391	7.8
203.14342	2.9
203.17931	2.7
209.13333	3.3
211.14780	4.0
213.16457	8.1
215.17989	5.4
217.15921	1.8
217.19440	15.6
221.13301	2.1
221.15347	1.5
225.16484	3.3
227.17952	4.3
229.15891	1.9
229.19467	1.8
231.17473	6.1
233.19020	1.8
235.16843	1.6
235.20567	10.6
237.16362	1.5
239.17998	2.7
241.19476	2.3
243.20822	1.6
247.16933	1.7
249.18542	10.4
253.19412	2.5
253.21690	4.2
255.21056	1.8
257.11575	1.4
261.18524	4.9
263.20142	2.6
271.20346	2.1
273.18384	1.5
275.20056	6.6
277.21722	2.0
279.19720	2.9
279.23016	1.9
289.21625	4.9
293.21060	3.8
299.19888	2.4
307.22714	2.1
351.26837	5.7
359.29379	4.2
365.71533	1.4
366.83667	1.5
369.27847	16.4
370.28503	1.5
387.28931	42.3
388.29276	6.4
405.30060	59.1
406.30347	6.3
423.32394	38.2
424.32309	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.4
55.01874	4.5
55.05510	36.2
57.03442	3.6
57.07081	3.7
59.04998	1.8
61.00095	1.2
65.03951	3.7
67.05502	86.8
68.17387	1.4
69.03426	3.2
69.07063	46.9
69.19809	8.9
69.20216	2.9
71.05008	6.0
71.08612	2.2
73.06567	1.4
79.05489	74.3
80.05823	3.3
81.03445	2.0
81.07053	100.0
82.07415	2.6
83.04971	9.1
83.08614	27.6
85.06541	7.0
87.04476	1.4
91.05476	62.3
92.05805	2.2
93.07041	90.3
94.07375	3.1
95.04964	8.8
95.08603	80.7
97.06531	13.5
97.10165	15.1
99.04485	2.7
99.08092	9.2
105.04517	1.6
105.07025	50.4
105.07726	2.5
107.08588	67.5
108.08920	1.6
109.06530	9.4
109.10155	46.3
109.10860	3.1
111.08085	18.0
111.11729	1.4
113.06089	1.5
113.09655	2.6
115.07625	1.8
117.07024	18.1
119.08582	62.0
120.08941	2.2
121.06554	4.1
121.10141	95.0
122.10518	4.2
123.08060	14.9
123.08739	1.4
123.11696	13.4
125.06039	2.8
125.09616	10.7
127.07590	2.7
128.06219	1.7
129.07022	8.1
130.73080	1.4
131.08562	41.3
132.08940	1.8
133.10124	63.6
134.10524	2.6
135.08075	15.7
135.11682	41.5
136.12080	1.4
137.09599	34.2
137.13303	4.3
139.07556	6.8
139.11185	11.5
139.60699	1.6
143.08560	12.7
144.09337	2.2
145.10120	39.2
145.11177	2.2
147.08127	2.8
147.11674	35.5
148.12044	1.5
149.09621	15.7
149.13257	15.6
150.13676	2.2
151.11183	17.7
153.09148	6.3
155.08604	3.9
156.09407	2.3
157.10127	17.4
157.12189	1.6
158.10779	1.6
159.11691	21.9
159.34474	1.4
161.09645	4.0
161.13271	12.9
163.11304	4.5
163.14853	9.3
165.12805	3.1
167.10742	2.8
169.10196	4.5
170.10907	2.6
171.11658	15.1
173.09590	1.9
173.11848	3.8
173.13350	13.9
175.11237	2.6
175.14816	13.1
177.12810	1.8
177.16391	6.7
179.14340	1.5
181.10143	1.4
181.12419	1.6
183.11774	5.2
185.13217	12.5
187.11316	2.1
187.14816	27.6
187.16304	1.9
188.15280	2.3
189.11293	3.9
189.12810	3.0
189.16382	13.3
191.14372	2.3
191.18068	2.0
195.13881	1.5
197.13338	4.8
199.14851	7.1
201.12796	4.9
201.16383	15.7
203.14369	7.6
203.17944	14.3
204.18375	1.5
205.15993	4.0
207.13924	2.2
211.14853	7.3
213.16354	29.4
214.16835	3.1
215.14337	1.6
215.18082	4.8
217.15915	3.2
217.19601	3.9
221.19005	3.6
223.14931	2.3
225.16432	1.7
227.18015	7.0
229.15916	6.5
229.19365	7.1
231.17416	37.0
232.17937	3.6
233.15460	3.5
235.20735	1.7
239.18063	2.3
241.19594	4.0
243.17598	2.0
243.21172	1.7
247.17094	5.3
249.18488	88.4
250.19009	6.1
251.20343	1.4
253.19563	3.1
255.17548	1.7
255.21129	3.3
257.19070	2.1
261.18771	1.6
261.22198	3.3
267.19540	3.1
269.19113	1.9
273.18671	1.8
279.23401	4.5
283.24109	1.4
293.21375	4.0
299.20013	1.4
307.22876	2.6
327.23315	3.1
351.26700	2.1
369.27792	10.2
377.32224	3.7
387.28918	40.8
388.29752	4.1
405.30289	42.7
406.30762	5.3
423.32669	58.6
424.32935	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	423.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31816	1.0
51.02357	1.4
53.03935	1.4
55.01871	2.4
55.05505	16.6
57.03424	3.0
57.07067	7.5
58.84541	0.8
59.04986	1.6
62.18099	1.1
67.05501	32.3
67.05855	1.9
68.05856	1.2
69.03433	2.4
69.06690	1.9
69.07063	25.0
70.53586	2.0
70.59782	0.9
71.04982	6.1
71.08628	3.2
73.65507	1.0
73.94752	0.9
74.93700	1.0
79.05487	19.4
80.58047	1.1
81.07052	50.5
82.07394	2.1
83.04973	3.1
83.08613	11.5
85.06544	4.3
91.05466	18.3
93.07039	35.3
94.07368	1.5
95.04958	3.7
95.08600	53.3
96.08941	1.7
97.02321	1.1
97.02895	4.8
97.06535	5.0
97.10168	5.0
98.22565	1.3
99.04443	1.6
99.08103	3.1
105.07024	32.0
106.07323	1.3
107.04958	1.8
107.08585	39.5
108.08924	1.3
109.06505	16.3
109.10149	39.6
110.10456	1.0
111.08083	4.1
111.11688	1.6
113.09626	1.3
115.05498	1.7
117.06992	5.2
119.08576	37.9
120.08922	1.3
121.06516	2.9
121.10133	30.6
121.10960	2.2
122.07305	1.6
122.10462	1.9
123.08066	46.4
123.11697	16.4
124.08411	1.6
125.09631	3.3
127.03936	1.5
127.07538	1.4
127.11213	3.1
128.06194	1.5
129.07001	2.7
131.08568	17.0
133.10118	29.7
134.10449	1.7
135.08069	9.3
135.11679	21.9
137.09607	5.0
137.13264	5.9
139.11180	1.6
142.07758	2.2
143.08537	10.4
144.09274	1.3
145.10115	24.1
147.08032	1.5
147.11668	20.5
148.12079	1.2
149.09631	4.3
149.13243	15.1
151.11168	3.2
155.08562	2.4
156.09338	2.9
157.10141	10.6
158.10725	1.8
159.11694	25.5
161.09554	1.9
161.13239	13.7
163.11182	3.9
163.14786	12.0
165.12720	2.1
167.14279	1.2
169.10130	4.5
171.11655	9.9
172.12463	1.4
173.09641	2.2
173.13235	17.7
175.11244	1.7
175.14804	12.6
177.12781	5.6
177.16354	5.2
179.14290	51.0
180.14619	2.2
183.11705	5.5
184.12263	1.7
185.13248	10.0
186.13857	1.3
187.11235	2.9
187.14772	18.6
188.15257	1.8
189.12723	2.5
189.16360	14.3
190.16792	1.3
191.14395	2.2
191.17929	8.6
193.15881	4.0
194.73189	1.2
195.11642	2.2
196.12457	1.3
197.13260	4.5
198.13672	1.1
199.11125	1.2
199.14816	8.0
201.12892	2.0
201.16385	10.7
203.14240	2.8
203.17923	6.2
205.15901	5.2
205.19592	1.5
207.11858	1.1
207.17459	1.3
209.13226	1.4
211.14833	3.9
213.16367	7.7
214.17090	1.2
215.14294	2.0
215.17926	12.5
217.15909	1.9
217.19592	2.8
219.13780	2.5
221.18968	1.0
223.07607	1.2
223.14618	1.5
225.16376	2.9
227.17897	7.6
229.15915	1.4
229.19522	5.0
231.21011	1.8
233.15335	5.2
233.19025	3.7
237.16440	1.8
239.17946	3.8
241.19522	4.2
243.21165	2.0
244.89323	1.3
251.17976	1.6
253.19527	2.9
255.21089	4.8
257.19244	1.4
257.22659	2.8
263.20020	2.4
267.21143	2.0
269.19171	1.2
269.22653	3.2
271.20364	1.2
275.20132	4.7
279.20850	1.2
281.22543	2.5
283.24097	2.6
289.25034	1.3
293.20978	1.1
295.23929	2.3
297.25760	1.4
299.20236	2.1
299.23520	1.6
303.26846	3.4
321.25415	1.3
331.26294	31.6
332.26639	3.3
337.28720	2.5
349.27252	8.1
361.99017	1.3
367.24768	1.7
377.31863	1.8
387.30817	1.6
389.31973	1.7
405.31058	9.7
405.35794	2.1
406.31491	1.8
408.16034	1.1
423.31305	100.0
423.36337	24.7
424.31699	10.7
424.36728	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	423.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.6
55.01863	0.4
55.05507	3.3
57.07058	1.8
59.67089	0.4
63.63723	0.4
65.03922	0.7
67.05154	0.5
67.05507	7.2
69.07070	6.7
70.85167	0.9
71.04966	1.1
71.08634	0.8
73.47479	0.5
79.05482	4.5
81.06620	0.8
81.07057	11.4
83.04978	0.7
83.08614	2.6
83.70772	0.4
84.52065	0.4
85.06528	0.8
91.05475	3.8
93.06520	0.6
93.07045	8.7
95.04964	1.2
95.08603	13.9
97.06516	1.0
97.10145	1.5
98.31916	0.5
105.07021	8.0
107.04971	0.8
107.08591	11.9
109.06497	1.2
109.09417	0.5
109.10153	8.8
111.08071	0.6
111.11736	0.6
113.09591	0.4
113.37218	0.4
117.06992	1.3
119.08582	11.8
121.06496	1.7
121.09269	0.6
121.10146	10.1
123.08043	1.8
123.11700	4.1
125.09624	0.9
127.11211	0.6
129.07021	0.8
130.07750	0.6
131.08577	3.3
133.06488	9.0
133.08589	0.6
133.10129	9.4
134.10484	0.5
135.08061	1.9
135.11697	6.4
136.11987	0.5
137.09586	2.0
137.13222	1.6
143.08522	2.1
144.09378	0.5
145.10127	5.4
147.08066	3.8
147.11671	5.7
149.09576	1.4
149.13277	4.9
151.11241	0.6
151.14864	0.6
155.08481	0.6
157.10207	3.2
159.08018	0.8
159.11700	6.0
161.09610	4.2
161.13248	3.4
163.11168	0.8
163.14809	2.1
165.12775	0.8
168.54045	0.5
169.10085	1.2
171.11626	1.7
173.09564	1.2
173.13264	3.8
175.11194	11.7
175.14810	3.4
176.11543	0.7
177.12767	2.3
177.16380	1.9
182.42627	0.4
183.11655	1.6
185.13246	1.8
187.14806	3.3
189.12737	6.4
189.16376	4.6
191.14331	1.1
191.17961	1.9
197.13217	1.2
199.14754	1.4
201.12782	1.2
201.16331	2.2
203.14308	14.1
203.17912	1.3
204.14670	1.2
205.15880	1.0
211.14767	1.6
213.16330	1.8
215.14319	1.1
215.17889	1.8
217.15871	18.7
217.19206	0.8
218.16203	1.4
219.41628	0.5
224.75430	0.5
225.16415	0.6
227.14182	0.6
227.17921	1.4
229.15854	1.3
229.19493	1.3
231.17361	0.6
239.17964	0.7
241.19333	1.0
243.17317	1.2
243.20961	0.6
245.18948	0.6
251.18025	0.6
253.19447	1.0
255.17358	0.5
257.18967	0.9
257.22787	0.5
269.22635	0.7
380.26865	2.1
405.31381	1.6
405.35867	0.7
423.32425	100.0
424.32776	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	423.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28051	0.9
50.96998	0.9
53.03923	1.3
55.05297	0.8
55.05507	10.4
57.03418	1.3
57.07067	4.4
65.03920	1.8
67.05161	1.0
67.05504	19.6
67.22057	0.9
67.52103	1.0
69.06705	1.3
69.07062	22.0
69.69599	4.6
71.04980	1.3
71.08617	1.3
79.05109	1.0
79.05490	14.2
81.07055	40.2
82.07352	1.5
83.08617	8.8
85.06517	1.4
91.05476	21.1
92.05775	1.0
93.07037	34.3
94.07357	1.2
95.04929	3.0
95.08599	52.5
96.08944	2.0
97.06502	2.7
97.10167	4.8
98.22608	1.2
99.08027	1.4
105.07027	43.3
107.08586	48.8
108.08881	1.4
109.06493	1.9
109.09431	1.7
109.10155	30.6
110.10472	1.1
111.08073	2.1
111.11671	2.6
117.07010	7.2
119.08575	66.0
120.08888	2.3
121.10137	33.4
122.10458	1.5
123.08048	3.2
123.11700	9.7
125.09610	1.1
128.06165	1.6
129.06958	3.2
130.07809	1.8
131.07660	1.7
131.08569	21.2
133.06476	1.1
133.10120	40.8
135.08015	3.3
135.11681	14.6
136.11926	1.1
137.09583	1.5
137.13206	4.1
139.07478	1.3
139.11111	1.2
142.07735	1.7
143.08569	8.7
144.09357	5.3
145.06438	0.9
145.10115	40.7
146.10657	1.7
147.11681	28.5
147.13429	1.1
149.09500	1.3
149.12106	1.2
149.13251	20.9
150.13654	1.1
151.11130	1.5
151.14719	1.3
153.09097	1.5
155.08534	2.2
156.09290	2.0
157.10136	12.2
158.10806	3.0
159.11685	24.9
160.12360	1.4
161.09656	1.5
161.13240	19.7
162.13597	1.2
163.07521	1.5
163.11136	1.8
163.13521	1.3
163.14818	25.8
165.12700	1.3
169.10100	4.9
171.11664	12.5
172.12341	2.6
173.11855	1.2
173.13268	17.4
174.13603	1.3
175.11217	1.4
175.14813	25.3
176.15091	1.5
177.12675	1.5
177.16373	16.0
178.16766	1.1
179.10663	1.2
179.14339	2.2
183.11674	5.5
184.12198	1.0
185.13249	11.4
187.14806	51.5
188.15135	2.6
189.16376	60.8
190.16661	3.2
191.14252	1.2
191.17876	3.8
193.15715	1.7
195.11694	1.4
197.13312	4.5
199.11220	1.1
199.14850	8.0
201.12747	5.7
201.16376	38.8
202.16663	2.6
203.14314	11.6
203.17938	16.6
205.15840	1.3
207.17361	2.0
209.13142	1.6
211.14845	5.8
212.15320	1.0
213.12650	1.3
213.16348	9.3
215.14307	1.5
215.17935	15.7
217.15866	2.1
217.19411	2.5
219.13756	2.1
221.15318	1.7
223.14635	1.8
225.16367	6.1
227.17921	14.5
228.18369	2.2
229.15863	1.2
229.19533	8.5
231.17226	1.5
233.15375	2.3
235.16835	1.1
237.16353	2.7
239.17830	4.7
241.19492	7.1
243.17361	1.7
243.20894	1.2
247.16946	3.7
249.18484	1.6
251.18095	2.0
253.19492	9.7
255.21016	3.2
257.15039	1.0
259.16989	1.8
261.18314	2.3
267.21048	2.6
269.18973	2.2
269.22626	2.5
271.17010	1.2
273.18454	7.5
275.20120	1.9
279.20950	1.3
281.22610	6.6
283.24088	1.7
285.18332	2.7
287.19907	1.7
293.22549	1.7
299.20038	6.7
307.24094	1.3
311.23383	1.3
321.25674	1.9
335.27136	2.5
339.23068	1.4
349.28665	1.3
363.30280	1.2
377.31967	24.9
378.32156	3.3
381.27637	3.8
395.28836	1.3
395.33377	1.1
405.31232	6.2
423.32285	100.0
424.32489	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	423.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.3
55.01870	1.0
55.05508	13.0
57.07066	3.6
59.84909	0.8
60.94091	0.7
65.03944	0.9
67.05154	1.3
67.05499	12.8
69.03423	1.6
69.07064	17.8
71.05000	1.6
71.32662	1.3
79.05484	12.3
81.03448	1.1
81.07053	31.8
82.07379	1.2
83.08616	7.8
85.06535	0.8
88.92617	0.7
91.05478	14.3
91.58138	0.7
93.07043	23.8
94.07375	0.8
95.04964	2.7
95.08603	45.1
96.08918	1.2
97.06548	1.4
97.10181	4.5
99.04443	1.0
103.05469	0.9
105.07026	27.7
105.07735	1.5
107.04990	0.8
107.08592	30.2
109.06522	2.2
109.10152	21.6
111.08065	1.2
111.11738	1.6
115.05462	1.0
117.07030	6.0
119.08572	32.1
119.09427	1.9
120.08904	1.0
121.06544	1.0
121.10143	22.4
123.04396	0.8
123.08076	1.7
123.11700	11.8
124.12007	0.9
125.09667	1.3
127.03914	0.8
128.06223	1.4
129.07011	4.8
130.07816	1.2
131.08554	14.9
133.10118	21.5
134.10445	0.9
135.08008	1.5
135.11700	18.4
137.09610	1.3
137.13234	8.9
141.06961	1.7
142.07803	1.0
143.08556	9.4
145.10124	18.8
147.08028	1.3
147.11690	17.5
148.12054	1.0
149.05943	1.3
149.09645	1.2
149.13249	13.9
150.13521	0.9
151.03944	1.2
151.11143	1.1
151.14787	1.9
153.09198	1.0
154.07767	0.7
155.08553	4.0
156.09389	0.9
157.10107	9.4
159.11685	16.0
161.09631	1.8
161.13257	12.7
162.13612	1.4
163.07591	0.8
163.14833	8.9
165.09099	1.5
168.09444	0.8
169.10100	6.8
170.10840	1.9
171.07899	1.2
171.11684	11.2
172.12215	1.3
173.13266	15.2
174.13708	1.6
175.14809	12.6
177.09300	1.0
177.16380	6.7
181.10110	2.2
182.10803	0.9
183.11687	8.5
185.13248	12.8
185.14752	1.2
186.13914	1.7
187.11189	1.1
187.14812	15.9
188.15211	1.3
189.12755	1.3
189.16391	14.7
191.10623	1.1
191.14270	0.8
191.17923	6.7
195.11714	2.5
197.13293	6.1
198.13983	1.9
199.14833	8.9
201.12820	1.1
201.16394	13.6
202.16812	0.8
203.14359	1.6
203.17934	12.6
205.12201	1.3
207.13840	1.3
209.13281	4.1
211.14787	5.9
212.15463	1.2
213.16393	7.9
215.17970	8.8
217.12206	2.2
217.15947	0.9
217.19597	2.5
218.75360	0.9
219.13863	2.6
223.14870	2.2
225.16399	6.1
226.16890	1.4
227.17958	8.7
229.12242	1.6
229.15913	1.1
229.19505	7.9
231.13828	1.5
231.21147	1.9
233.15359	3.8
235.14929	1.3
237.16396	3.0
239.17926	9.8
241.15831	1.2
241.19479	8.9
243.17401	1.0
243.21100	2.5
245.15448	2.4
251.17929	2.3
253.19453	6.5
255.17429	1.0
255.21062	4.7
259.16846	2.4
261.18491	1.4
265.19580	2.8
267.21094	4.2
269.22717	1.7
271.16965	2.5
272.17386	0.9
273.18442	2.5
279.21030	2.8
281.19522	0.9
281.22571	4.7
282.18774	0.8
285.18469	7.4
287.20013	4.0
293.22635	3.9
295.24228	1.3
299.20053	3.0
301.21625	1.2
307.24289	1.8
311.09161	1.4
311.20093	1.3
313.21490	4.2
319.23956	1.1
321.25720	1.4
325.21625	2.8
327.23236	3.5
335.27441	3.4
339.23267	4.3
341.24649	1.1
346.16464	0.9
353.24817	2.1
367.26239	2.1
377.32040	24.1
378.32489	3.5
380.27203	2.7
381.27783	4.4
387.30487	0.9
405.31625	6.1
423.14041	1.7
423.32590	100.0
424.32935	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	423.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.1
55.01868	2.4
55.05510	17.9
55.34035	1.9
57.03435	2.9
57.07070	7.5
58.53265	1.6
59.04985	4.3
65.03946	2.7
66.55125	1.6
67.05499	48.1
69.03439	2.3
69.07062	36.1
71.04993	5.6
71.08668	1.7
72.16433	1.6
77.39596	1.7
79.05486	27.2
79.05939	2.3
81.07051	60.8
83.04980	5.4
83.08598	14.3
84.71021	1.5
85.06553	6.5
87.04448	2.9
89.52545	1.5
91.05468	28.4
93.06445	2.6
93.07040	47.0
95.04960	4.0
95.08598	68.9
97.06521	5.9
97.10176	9.0
99.08109	2.4
104.60249	1.8
105.07022	56.1
107.08590	54.6
108.08962	2.4
109.06492	8.3
109.10147	43.6
111.08086	7.3
117.06998	10.0
119.08578	60.0
120.08928	2.7
121.06490	2.9
121.10138	46.7
121.10971	2.7
123.08025	4.0
123.11678	19.6
125.09673	3.4
128.06259	3.8
129.07004	9.7
130.07794	2.7
131.08559	37.0
133.10115	40.6
134.10495	2.8
135.08061	7.3
135.11687	29.7
137.09647	6.2
137.13263	7.4
139.11226	2.9
141.06990	1.6
142.07703	3.6
143.08548	19.1
144.09331	2.1
145.10112	48.0
145.11194	2.7
147.08032	3.7
147.11671	24.1
149.09592	9.9
149.13229	22.9
151.11197	2.8
155.08559	5.5
156.09341	3.3
157.10091	23.5
158.10876	5.7
159.08101	2.7
159.11693	36.2
159.12933	2.6
161.09686	5.7
161.13242	21.0
162.13605	2.4
163.11220	7.2
163.14809	21.8
165.12769	4.1
167.08542	2.8
168.09300	2.3
169.10161	12.6
170.10947	6.1
171.11684	21.9
172.12274	2.8
173.09636	3.1
173.11780	3.9
173.13217	26.7
173.14568	2.4
174.13617	2.3
175.11234	5.0
175.14810	26.4
177.12737	5.6
177.16380	9.7
179.08549	2.6
179.14371	3.9
181.10063	4.1
182.10802	2.5
183.11659	12.5
185.13223	20.1
187.11270	2.8
187.14796	43.9
188.15213	3.0
189.11191	2.8
189.12775	3.4
189.16357	16.6
191.10526	1.9
191.14330	3.8
191.17967	4.2
192.09154	2.0
193.15863	3.5
195.11771	7.3
196.12451	2.4
197.13123	10.3
199.14839	13.3
201.12788	5.7
201.16379	32.6
202.16786	3.1
203.14291	10.5
203.17952	9.0
205.15909	3.0
207.11761	3.7
207.17372	2.1
209.13246	3.9
210.13957	3.2
211.14784	8.8
213.12726	2.3
213.16331	17.6
215.14372	4.6
215.17876	9.8
217.15932	6.2
219.17511	2.3
221.05882	2.8
221.13298	3.7
223.14897	5.8
224.65326	1.7
225.16417	7.6
227.17899	8.0
229.15683	4.3
229.19533	3.8
231.17487	4.4
233.15387	5.4
235.14793	2.7
235.16975	3.0
237.16457	6.4
239.17990	5.8
241.19499	3.1
243.21112	4.8
247.14774	3.3
247.17082	2.2
249.16397	2.6
250.17061	2.2
251.17897	5.0
253.15807	2.4
253.19550	5.5
255.17287	1.7
255.21106	6.1
257.18936	2.3
261.16345	2.7
261.22165	4.5
263.17932	3.2
265.19595	2.6
269.19025	1.9
269.22760	3.0
275.18112	2.5
279.20657	2.6
279.23279	5.1
281.22644	4.0
291.21201	1.9
295.06036	3.2
295.24216	3.5
303.20959	3.0
305.22510	2.2
307.24152	1.8
309.22275	2.3
317.22672	5.4
319.24039	3.4
333.25482	2.3
335.23712	3.3
337.28824	4.0
345.25824	1.9
347.27466	3.7
349.25162	2.1
363.30618	2.6
365.28775	2.0
377.32285	3.4
387.30420	20.9
405.31491	100.0
406.31894	12.6
423.32574	98.8
424.33017	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	423.3619
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.6
55.01851	2.0
55.05508	22.8
57.07065	7.4
59.05013	1.8
65.03945	2.6
67.05152	2.5
67.05502	43.6
69.07063	32.5
69.19912	3.2
69.20322	10.8
71.04984	2.2
71.08640	1.6
78.34979	1.6
79.05482	26.8
81.07055	78.2
82.07372	2.1
83.04962	3.9
83.08607	16.8
85.10179	2.5
89.06013	1.9
91.05475	26.4
93.07039	55.1
95.04948	4.1
95.08603	84.2
95.65146	1.8
96.08907	3.7
97.06515	5.6
97.10166	12.5
105.07027	57.8
106.07336	1.7
107.08588	83.3
108.08889	3.1
109.06516	5.0
109.10153	88.8
110.10537	2.2
111.08075	5.6
111.11710	3.9
116.71860	1.6
117.06989	6.9
119.07723	3.8
119.08577	68.7
120.08955	2.8
121.10139	69.2
122.10471	2.2
123.08054	6.5
123.11705	28.8
125.09641	11.5
127.11224	2.5
129.07014	3.2
131.08551	15.8
133.10120	45.0
134.10431	2.7
135.08061	10.4
135.11693	42.0
136.11943	2.2
137.09575	8.9
137.13226	9.1
139.11237	2.6
142.34293	1.9
142.36256	1.8
143.08583	6.4
145.10124	23.7
147.11678	39.5
149.09573	6.3
149.13255	27.4
151.11116	2.6
151.14885	2.5
153.09081	5.8
155.08531	2.4
156.09473	2.1
157.10130	7.2
158.10860	3.0
159.11693	41.1
160.12057	2.8
161.13254	38.8
163.11171	14.3
163.14796	16.8
165.12740	5.2
165.16354	2.8
171.11679	7.5
173.13254	21.3
174.13789	3.2
175.11151	2.8
175.14818	20.8
176.15213	2.2
177.12711	8.8
177.16353	14.3
179.14275	2.9
183.11667	4.5
185.13246	10.7
187.14828	18.0
189.11247	3.9
189.12810	3.3
189.16376	23.2
190.16585	2.1
191.17940	20.1
197.13206	5.1
199.14807	7.6
201.16409	18.1
201.18147	2.6
203.14401	2.4
203.17938	33.8
204.18323	3.2
205.15927	13.4
205.17551	2.5
205.19537	7.7
207.17401	4.3
211.14775	4.7
213.16382	6.9
215.17995	9.8
217.16098	2.9
217.19493	41.1
218.19769	1.8
219.17393	7.1
219.76297	1.7
223.14883	2.7
225.16382	4.7
227.17953	6.5
229.19565	6.7
231.17395	3.9
231.21019	5.3
233.18932	2.9
235.20592	3.4
239.17961	2.4
241.19527	4.1
243.21057	4.2
245.19058	2.2
245.22655	2.9
253.19435	5.7
255.21109	6.2
257.19012	2.8
257.22659	5.9
259.24356	2.8
267.21051	4.1
269.22632	5.8
271.20593	2.8
271.24179	2.9
281.22791	1.8
285.22092	2.2
290.60684	1.7
295.24176	2.1
297.22186	1.8
297.25589	3.5
313.25314	3.3
329.28424	1.9
363.30624	3.1
367.29825	3.8
377.32230	2.3
405.30536	3.2
405.35556	15.2
406.35712	2.8
423.36536	100.0
423.86472	2.1
424.36758	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	423.3619
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.5
53.86143	2.2
55.05509	20.2
57.07072	9.7
65.03932	2.2
66.60275	2.0
67.05502	41.4
69.07066	31.8
69.27199	13.3
69.27625	4.3
71.04972	3.6
79.05489	31.1
81.07053	77.6
82.07369	2.7
83.04998	4.6
83.08616	17.2
91.05479	26.6
93.07044	54.0
95.04950	6.9
95.08603	93.9
96.08932	2.5
97.06541	6.7
97.10152	7.6
99.08079	6.5
105.07028	62.9
107.08588	84.5
108.08951	2.6
109.06480	3.9
109.10154	78.3
110.10477	4.6
111.08086	5.2
111.11709	3.6
117.07020	10.5
117.89796	2.1
119.08573	76.9
120.08933	2.5
121.10139	78.0
122.10455	2.6
123.08056	5.5
123.11702	26.2
125.09632	7.0
129.06987	4.1
131.08569	21.8
133.10123	48.6
134.10481	2.7
135.08067	11.6
135.11690	50.1
137.09573	5.8
137.13280	9.4
139.11137	3.4
143.08531	15.1
145.10126	36.0
146.10411	2.1
147.08018	2.7
147.10547	3.6
147.11684	51.2
149.09607	4.3
149.13268	25.0
151.11148	4.9
151.14833	3.5
155.08492	2.1
156.09311	3.2
157.10065	11.8
159.11691	51.1
160.12057	2.7
161.09587	3.2
161.13264	38.6
163.11183	13.2
163.14815	18.2
165.12732	3.5
169.10059	3.1
171.11705	10.1
173.13245	22.1
175.11247	2.5
175.14809	23.9
177.12709	9.3
177.16414	12.1
183.11671	2.0
185.13263	9.8
186.13895	3.1
187.14816	19.3
189.16370	24.6
191.17911	20.3
193.16017	2.1
197.13232	4.6
199.14696	11.1
201.16371	24.7
202.16753	2.2
203.14328	5.3
203.17940	40.1
205.15846	21.5
205.19487	8.3
207.17462	4.5
211.14851	4.9
213.16359	8.0
215.17920	14.7
217.15892	5.4
217.19518	37.1
218.19736	2.6
219.17471	11.7
225.16318	3.2
227.17957	4.1
229.19447	6.4
231.17427	7.0
231.20966	2.5
233.18925	2.6
239.17912	3.5
241.19501	3.2
243.21126	2.9
245.19066	2.7
253.19438	3.4
255.21008	5.2
257.18851	3.1
257.22559	2.4
267.21078	2.9
269.22601	5.0
271.24374	2.9
281.22678	4.6
297.25812	2.8
333.70050	2.3
363.30588	2.6
367.30347	2.5
405.30511	3.5
405.35709	12.2
423.36710	100.0
424.37015	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	423.3618
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51326	1.5
53.03938	3.1
55.05503	17.7
55.08882	1.5
57.07069	7.6
65.03935	2.9
67.05496	39.2
69.03428	2.3
69.07060	36.7
74.48696	1.8
79.05487	31.8
80.45988	1.7
81.07052	77.0
82.07368	2.2
83.04974	2.5
83.08617	15.6
83.69675	1.6
89.06023	3.5
91.05480	26.4
93.07039	58.1
94.07355	2.0
95.04949	2.2
95.08599	100.0
96.08912	2.7
97.06529	3.8
97.10157	9.4
99.08084	2.5
105.07023	61.0
106.07349	3.3
107.08582	89.1
107.39165	1.8
108.08924	3.3
109.06495	3.7
109.10145	92.7
110.10493	4.5
111.08072	4.5
111.11692	2.9
117.07040	8.9
119.07722	3.6
119.08572	76.1
120.08960	2.0
120.75161	1.6
121.06525	2.5
121.10132	74.0
122.10464	2.4
123.08068	7.7
123.11698	31.8
123.93774	1.6
125.09631	3.8
127.11165	2.2
129.06976	2.5
130.07750	2.2
131.08571	19.1
133.08600	2.9
133.10115	51.8
134.10454	2.4
135.08040	28.4
135.11676	42.9
135.12724	2.2
136.12074	1.6
137.09605	7.3
137.13258	9.8
139.11159	2.4
143.08553	8.2
144.09302	2.2
145.10118	30.9
147.11676	45.8
149.09576	7.8
149.13234	26.3
151.11162	4.5
151.14893	2.1
155.08508	2.3
156.09293	2.1
157.10107	10.4
158.10884	3.3
159.08063	5.3
159.11688	53.3
160.08806	5.8
160.12177	2.7
161.09602	3.0
161.13246	38.7
162.13579	2.3
163.11172	16.0
163.14816	18.8
165.12788	3.2
169.10085	1.9
171.11685	10.9
172.08800	3.7
173.09616	7.1
173.13261	22.8
174.13850	1.9
175.11171	40.2
175.14822	19.0
176.11702	2.5
177.12758	7.6
177.16377	11.7
179.14304	3.8
183.11690	5.4
185.13242	8.2
186.10387	6.0
187.11186	5.0
187.14824	19.4
189.12767	6.0
189.16365	26.0
191.14380	2.9
191.17906	17.0
197.13277	4.4
199.11220	4.0
199.14807	9.2
201.12747	16.5
201.16408	19.9
202.13159	1.6
203.14294	4.9
203.17958	37.0
205.15924	15.1
205.19514	8.5
207.17450	2.6
209.13187	2.6
211.14767	3.7
213.16301	10.6
215.14316	4.2
215.17900	12.8
217.16008	4.5
217.19470	26.0
219.17465	7.8
225.16322	5.8
227.17957	5.2
229.19516	4.9
231.17398	4.0
231.21092	5.1
233.18954	2.0
239.14761	2.6
239.17905	3.9
241.19514	3.6
243.21043	5.3
245.22778	2.5
253.19397	5.6
255.21106	5.4
257.22672	6.0
259.20627	2.2
269.19064	1.7
269.22702	5.5
281.22614	2.1
283.24136	3.0
295.24042	2.1
297.25793	3.3
309.25687	2.4
311.23557	2.6
313.25192	2.7
367.29965	2.4
405.30701	3.7
405.35721	11.0
423.31766	18.4
423.36954	64.9
424.37198	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	423.3618
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55838	1.6
53.03936	3.8
55.05506	20.4
55.88877	1.6
57.07068	10.4
58.29408	1.8
65.03925	1.8
67.05499	27.5
68.56451	1.5
69.07067	28.9
70.07409	1.7
70.48852	2.1
70.49182	4.0
71.05019	1.8
71.08636	1.9
79.05492	19.7
81.07051	73.9
82.07394	2.4
83.08614	13.7
85.06548	5.9
85.10203	2.1
89.05972	1.9
91.05471	22.7
93.07036	47.9
95.04969	4.6
95.08602	100.0
96.08981	2.4
97.06522	3.5
97.10171	5.2
99.08097	2.5
105.07027	44.1
107.08587	60.9
109.06533	3.1
109.10151	52.7
110.10469	3.3
111.08129	4.7
111.11703	3.1
113.09668	2.7
117.06987	8.2
119.08569	56.3
119.09409	3.1
120.08913	2.4
121.06481	1.8
121.09254	3.3
121.10139	60.2
122.10477	3.4
123.08067	3.7
123.11699	22.5
125.09604	3.6
128.06204	2.1
129.07007	3.2
129.99451	1.9
130.07851	2.1
131.08559	19.9
133.08591	2.4
133.10120	42.7
135.08017	3.4
135.11696	36.4
137.09680	3.0
137.13231	24.0
138.13617	2.6
139.11276	2.5
143.08565	9.4
145.10100	33.8
146.10550	2.2
147.08043	2.5
147.11682	33.3
149.09624	4.8
149.13249	29.3
151.14848	2.8
155.08549	3.0
156.09312	1.9
157.10150	8.2
157.13368	2.2
158.10710	1.8
158.13676	1.8
159.07994	1.8
159.11679	36.0
160.12230	2.1
161.09627	2.8
161.13251	19.9
163.11183	4.3
163.14815	12.3
169.10107	1.8
171.11636	10.4
173.13251	18.5
175.11241	2.2
175.14825	26.9
177.12799	2.7
177.16386	12.7
179.17990	2.7
181.10089	1.7
183.11792	4.5
185.13223	8.7
187.14796	20.3
189.16388	31.4
191.14302	4.5
191.17934	30.8
192.18250	2.3
193.15869	2.8
195.11639	2.2
197.13263	3.4
199.14897	9.7
201.16370	19.6
203.14368	6.2
203.18004	12.2
205.15927	5.2
205.19495	11.1
211.14842	2.6
213.16348	8.0
215.17960	27.4
216.18234	2.6
217.15901	4.0
217.19539	7.6
219.17416	2.7
225.16240	2.1
227.17944	8.8
229.19550	7.6
231.21114	6.6
233.18962	12.0
241.19516	4.3
243.21114	3.8
245.18999	4.1
245.22531	2.3
255.21068	6.0
257.22586	7.1
267.21103	3.6
269.22681	6.4
271.24155	2.6
283.24347	4.3
285.03110	1.8
293.22815	2.1
353.24673	2.5
377.32095	2.8
395.36877	4.0
405.35498	12.1
423.31772	13.6
423.36893	53.2
424.37378	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.362
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75333	1.5
53.03948	3.9
55.01876	2.4
55.05508	24.5
57.07083	8.4
60.50956	1.7
65.03935	5.4
67.05142	2.9
67.05504	53.8
69.03429	2.7
69.07068	44.3
69.62543	3.1
69.62958	6.4
71.04997	3.8
79.05495	30.2
81.03414	2.1
81.07054	77.1
82.07370	3.6
83.04971	6.8
83.08614	19.1
85.06544	3.6
91.05477	27.3
92.05774	1.9
93.07044	59.5
94.07355	2.2
95.04967	51.0
95.08605	100.0
96.08936	4.2
97.06522	6.4
97.10178	11.6
97.10693	1.9
99.08096	2.1
105.07027	53.8
106.07390	2.2
107.08592	76.6
108.08906	2.2
109.06500	7.4
109.09402	3.4
109.10152	65.6
110.10470	2.3
111.08066	8.1
111.11703	1.9
115.07587	2.0
117.07030	11.2
119.08578	66.2
120.08926	2.2
121.10142	63.6
123.08070	17.6
123.11700	27.8
125.09621	6.0
127.11189	1.6
128.06175	2.5
129.06999	7.0
130.07819	3.1
131.08560	24.3
133.06512	1.8
133.10129	47.2
134.10481	2.5
135.08051	4.7
135.11688	42.3
137.09593	4.4
137.13223	15.6
139.11171	3.5
141.07040	2.4
142.07770	5.7
143.08553	16.8
145.10117	39.0
147.11679	35.8
149.09625	2.8
149.13255	27.0
150.13641	2.2
151.11153	2.0
151.14819	3.0
155.08487	4.6
156.09343	4.4
157.10129	21.8
158.10860	1.9
159.08128	1.9
159.11690	39.7
160.12207	1.8
161.09587	3.1
161.13251	22.6
163.11081	3.4
163.14827	19.1
165.12773	3.5
169.10114	6.9
170.10933	1.6
171.11665	20.9
172.12233	1.7
173.09575	3.7
173.13261	28.2
174.13686	2.5
175.11201	3.9
175.14836	24.1
177.12662	3.7
177.16368	12.8
179.14316	4.5
182.10802	1.7
183.11696	11.2
184.12468	2.1
185.13255	15.1
187.11121	2.6
187.14819	27.4
188.15100	1.7
189.12747	3.5
189.16376	25.5
190.16826	1.6
191.14294	5.4
191.17931	35.5
192.18272	2.6
193.15845	3.0
195.11664	3.4
197.13252	9.8
198.13918	1.6
199.11137	3.7
199.14819	17.9
201.12689	7.3
201.16382	18.1
203.14331	8.0
203.17958	14.5
205.15849	4.7
205.19536	4.3
207.11714	2.6
209.13251	5.5
211.14784	6.7
212.15286	1.8
213.16411	17.0
215.14339	5.5
215.17992	12.2
217.15924	6.0
217.19524	4.0
223.14714	1.9
225.16389	7.6
227.17950	11.1
229.15900	3.5
229.19514	6.8
231.17464	5.8
233.15302	4.8
233.19029	2.2
235.14745	2.3
237.16338	1.7
239.17946	6.0
240.18433	2.4
241.15863	2.2
241.19531	7.3
243.17456	3.5
243.21080	4.6
245.19049	3.6
251.17905	2.8
253.19524	8.4
255.20978	6.5
257.19092	2.6
257.22659	3.3
265.19406	2.8
267.17542	3.0
267.21115	5.1
269.18970	4.3
269.22617	6.1
271.05896	2.0
271.20752	3.8
271.24130	2.2
273.21823	2.3
281.22675	4.4
283.20514	5.7
283.24088	3.5
285.22009	3.0
295.24149	4.0
297.22308	2.0
299.20148	2.0
299.23682	2.8
311.08560	2.5
325.25101	1.8
325.28732	2.3
327.23279	2.0
327.30496	3.0
335.27432	2.5
337.28903	1.9
352.68225	1.6
353.13690	1.8
365.27869	2.0
377.32092	3.5
405.30652	10.9
405.35208	9.7
406.35648	2.4
423.27908	2.8
423.32333	55.3
423.36356	46.7
424.32700	5.9
424.36884	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	423.3618
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.7
55.05515	15.9
55.45471	2.0
57.07052	9.2
59.04985	2.0
65.03926	2.0
67.05503	28.6
69.03423	2.8
69.07064	21.4
71.04967	1.8
71.08594	2.3
79.05495	23.7
79.79186	1.9
81.07059	59.5
83.04962	3.7
83.08615	12.0
83.92313	2.1
85.06544	10.2
91.05483	18.3
93.07047	42.6
95.04915	2.6
95.08606	81.7
97.06516	5.3
97.10127	7.6
100.22988	1.8
105.06353	2.7
105.07021	36.5
107.07949	3.2
107.08597	53.7
109.06501	4.3
109.10153	44.8
110.10468	1.9
111.08083	6.0
111.11643	2.0
113.09601	2.1
117.06982	7.6
119.08582	46.5
121.06442	3.6
121.10147	43.3
122.10451	3.1
123.08046	5.5
123.11726	18.5
125.09597	4.6
129.06953	3.5
131.08580	18.1
133.08502	2.9
133.10124	34.4
134.10379	2.8
135.08075	10.8
135.11697	31.2
137.09590	15.2
137.13211	17.0
143.08482	7.2
144.09280	3.2
145.10114	32.1
147.10786	1.9
147.11696	21.7
149.09628	17.1
149.13242	22.7
155.08466	4.2
157.10085	8.5
159.11710	21.8
161.09499	6.5
161.12132	1.9
161.13248	16.8
163.11168	11.7
163.14832	12.1
169.10072	4.7
171.11650	10.2
173.09586	3.0
173.11826	2.7
173.13234	19.6
175.11205	2.4
175.14789	21.0
177.12682	3.5
177.16368	11.3
179.14244	2.5
183.11624	2.6
185.13162	8.5
187.14810	16.1
189.12683	6.3
189.16389	11.8
191.14247	4.9
191.17944	20.9
193.15736	2.3
195.11600	2.3
199.14676	6.6
201.16301	11.5
203.14201	2.7
203.17943	9.9
205.15819	6.6
205.19572	10.6
211.14670	3.3
213.16243	4.8
215.17972	19.2
217.15851	3.3
217.19414	6.6
219.17319	4.9
227.17792	2.8
229.19376	6.8
231.17471	2.6
231.21001	4.2
233.18985	9.6
239.17839	2.7
241.15793	2.3
241.19469	2.9
243.17343	3.3
243.20970	3.7
245.18974	2.3
253.19380	2.2
255.20901	3.4
257.18912	2.3
257.22595	3.9
267.21005	2.6
281.19046	2.8
285.22067	2.8
299.19888	2.6
301.17813	2.3
324.59729	2.1
351.12357	2.3
387.30197	3.4
405.31067	6.8
405.35641	4.5
423.32178	100.0
424.32513	14.4
444.72394	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63158	2.1
53.03951	4.4
55.01871	3.2
55.05520	21.5
56.42005	2.3
57.07066	11.4
59.05003	3.7
61.46774	2.3
65.03951	2.6
67.05508	42.9
69.03432	5.8
69.07067	33.5
71.04973	5.1
71.08640	2.9
79.05502	27.6
81.03406	3.8
81.07061	75.6
82.07359	3.6
83.04977	5.9
83.08610	15.4
85.02930	2.4
85.06535	7.5
89.06044	4.2
91.05479	21.7
93.07046	52.5
95.04993	3.5
95.08610	100.0
96.08955	3.6
97.02914	4.9
97.06522	4.6
97.10172	9.6
105.07036	52.2
107.08592	58.1
109.06540	4.3
109.10159	51.1
111.08078	5.0
111.11736	2.7
113.09641	4.5
117.07005	6.9
119.08588	51.0
120.08920	5.0
121.06552	2.7
121.10150	53.6
123.08071	5.7
123.11700	18.0
125.09624	5.8
127.11230	3.4
129.06961	3.5
131.08557	19.9
133.10136	39.2
135.08022	3.4
135.11690	41.4
137.09599	5.6
137.13243	13.9
139.11189	3.0
143.08517	7.0
143.13914	2.3
144.09409	2.8
145.06625	2.2
145.10130	25.7
147.11696	24.7
149.09586	4.2
149.13283	24.2
151.11198	4.9
155.08553	3.3
157.10115	10.6
158.10823	2.9
159.11702	27.5
161.09608	3.7
161.13213	20.3
163.11148	5.6
163.14848	11.7
169.10144	5.2
171.11668	8.9
173.13266	21.4
175.14845	25.5
177.16437	12.6
185.13248	7.5
187.14767	12.1
189.16388	23.6
191.14380	4.4
191.17964	42.2
193.15866	5.6
199.14819	7.3
201.12729	3.5
201.16389	13.0
203.14339	3.3
203.17943	16.5
205.15988	4.2
205.19521	15.8
211.14830	2.5
213.16345	7.6
215.17957	25.8
217.19495	10.9
221.15454	5.1
227.18034	4.7
229.19569	6.3
231.17480	5.4
231.21051	5.8
233.19028	18.2
234.19267	2.4
237.16418	2.4
239.14897	2.8
241.19556	6.6
243.17323	3.4
243.21080	4.4
245.19093	2.7
245.22603	2.5
255.21191	3.3
257.22568	3.8
259.20508	3.4
269.22430	3.1
271.24030	2.9
285.22049	3.5
387.25073	3.4
387.32373	3.2
395.36905	3.3
405.35175	5.4
423.31717	9.3
423.37112	44.0
424.37067	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3618
Annotation	Marsformosanone
Peak:m/z	Relative Intensity
55.05504	12.2
57.07059	3.8
64.11623	3.3
67.05502	18.8
69.03581	31.7
69.07053	24.1
79.05482	14.1
79.84239	3.1
81.06674	4.1
81.07058	40.8
83.08617	11.2
85.06564	3.6
89.06044	8.1
90.11776	3.1
91.05469	13.8
93.07041	30.5
95.04962	4.0
95.08600	55.7
97.10176	10.0
98.78109	3.5
103.52302	3.3
105.07028	24.0
105.23922	4.5
105.36609	3.5
107.08599	53.2
109.10147	36.9
111.08109	4.4
119.08598	26.4
121.10147	36.6
123.08060	7.6
123.11702	13.6
129.06979	5.6
131.08545	10.6
133.10117	26.1
135.11697	28.8
137.13232	7.8
141.98918	3.3
143.08504	7.9
145.00772	3.3
145.10103	21.6
147.11722	27.9
148.35551	3.7
149.13271	37.7
151.14795	4.9
157.10114	10.2
158.10838	4.7
159.11690	24.8
161.13255	12.0
163.14786	18.0
171.11674	8.9
173.13255	27.5
175.14832	11.8
177.16394	14.9
179.14317	5.5
183.11652	6.7
185.13269	5.6
187.14832	14.9
189.16380	8.3
199.14772	11.7
201.16483	5.8
213.16435	9.7
215.17986	9.0
221.01797	3.5
227.17894	8.5
229.19528	8.3
241.19478	8.2
243.21178	19.3
255.20987	7.2
257.22595	7.4
261.22116	6.9
267.21140	5.7
269.22589	34.9
271.24213	9.1
282.45203	3.3
283.24258	18.1
285.22128	21.5
309.25610	4.1
311.27338	8.5
337.29169	5.2
349.29089	5.7
405.35071	33.7
406.35507	6.9
423.36285	100.0
424.36325	11.4
433.60236	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	12.8
55.41279	7.0
58.12704	8.6
67.05493	20.5
69.07053	23.9
70.74949	11.0
70.75290	11.5
73.54559	7.3
73.94561	7.4
79.05496	19.8
81.07065	45.1
83.08575	11.7
89.06017	16.6
91.05457	16.2
93.07037	41.2
95.08583	70.5
97.10168	8.5
105.07027	23.6
107.08590	59.5
109.10184	42.2
119.08611	35.2
121.10111	54.2
123.07999	7.9
123.11673	17.4
131.08542	15.6
133.10124	28.3
135.11659	34.4
137.13211	8.1
143.08458	7.8
145.10109	24.0
147.11674	23.4
149.13222	50.4
157.10156	13.4
159.11670	22.4
159.32037	7.6
159.75169	7.2
161.13202	17.5
163.14856	18.7
165.09103	9.5
165.23088	7.0
168.60063	7.8
173.13228	22.5
175.14787	15.9
177.16383	33.2
185.13144	10.9
187.14784	13.6
187.45575	7.9
191.17987	8.3
197.13358	10.8
199.14783	13.8
201.16373	10.2
203.14302	7.7
215.17914	14.1
241.19527	13.4
243.21123	17.6
249.39227	7.2
261.22198	15.7
269.22580	23.7
271.24124	8.0
272.70923	8.8
283.24142	16.1
297.25729	7.3
309.49921	8.0
405.35187	34.7
423.31192	16.5
423.36560	100.0
424.31638	11.2
424.36887	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	423.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.3
53.03953	3.4
55.01863	3.7
55.05514	26.2
55.05761	1.0
57.03427	2.3
57.07079	27.1
59.05012	1.4
63.73980	1.5
64.86855	1.2
65.03933	3.1
67.05164	2.6
67.05508	48.4
69.03418	1.7
69.06715	2.5
69.07072	41.9
69.07448	2.4
70.07351	1.2
70.92227	1.6
71.05007	2.7
71.08630	10.6
71.31596	1.5
71.32257	1.4
73.87002	1.2
79.05496	30.3
81.07060	83.7
82.07410	1.8
83.04971	3.9
83.08621	21.5
85.06535	3.3
91.05481	28.1
93.06452	2.9
93.07044	53.6
94.07340	1.3
95.04961	5.1
95.08611	97.0
95.25520	1.3
96.08929	3.0
97.06530	7.4
97.10172	17.7
99.08092	2.3
100.48228	1.5
105.07031	61.9
107.08599	59.0
109.06520	4.2
109.10159	62.1
111.08074	3.9
111.11714	5.4
113.09633	1.4
115.07559	1.2
115.10551	1.4
117.06995	7.0
117.68818	1.4
119.08584	65.8
120.08868	2.1
121.06515	3.2
121.10149	51.9
122.10506	1.9
123.08067	4.4
123.11709	21.7
125.09631	3.7
127.11204	7.0
129.06999	3.9
131.08569	16.7
133.10130	42.7
134.10461	2.6
135.08057	60.1
135.11694	39.0
136.08395	1.5
136.12024	2.5
137.09625	5.2
137.13275	9.5
139.11194	8.6
141.12737	3.9
142.07770	2.4
143.08588	9.3
144.09302	2.1
145.10124	32.2
147.08055	15.3
147.11687	50.0
149.09665	1.7
149.13258	26.9
151.11176	3.9
151.14821	2.6
155.08586	2.6
157.10135	9.8
158.10913	2.0
159.08032	1.4
159.11708	23.7
160.12344	2.5
161.09615	15.8
161.13261	29.2
162.10364	7.1
163.07536	1.8
163.11177	9.2
163.14830	26.0
164.15190	1.7
165.16451	1.9
167.14357	1.6
169.10109	3.1
171.11665	10.0
172.10515	1.2
172.12309	2.1
173.13240	14.7
175.11151	3.3
175.14845	19.2
177.12767	2.8
177.16414	13.8
179.14293	1.7
183.11673	4.8
185.13248	5.6
186.14050	1.6
187.14830	19.0
188.15224	2.1
189.11191	2.2
189.16399	45.4
190.16727	1.8
191.17937	34.7
192.18236	1.7
195.11752	2.0
197.13214	1.9
198.13976	1.4
199.14749	6.4
201.16389	17.8
203.14651	1.3
203.17963	32.9
204.18315	1.6
205.15991	2.3
205.19521	4.1
207.17422	2.3
211.14877	2.4
213.16393	13.3
215.14262	1.7
215.17958	24.8
217.16040	1.4
217.19579	7.7
219.17503	11.7
221.19041	6.0
223.14725	1.8
225.16246	2.5
227.17949	8.1
229.19501	9.2
231.17461	20.9
231.20999	7.5
233.19023	4.2
235.20695	1.8
239.17998	2.7
239.23674	2.0
241.19511	3.1
243.21107	5.7
247.20612	3.1
249.14734	1.6
249.18562	2.5
249.22231	6.2
253.19576	5.1
255.21101	4.7
257.22476	3.7
261.22195	2.3
265.21661	2.7
267.21039	2.9
269.22687	6.7
271.24341	1.6
273.18655	2.4
273.22028	3.3
279.23315	2.9
281.22650	2.5
283.24298	5.2
285.24359	2.2
295.24008	1.6
377.32043	9.2
387.32468	4.3
395.37003	1.5
405.35257	13.6
406.35129	2.5
423.36566	100.0
424.36960	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	424.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59970	3.9
55.01875	6.4
68.99820	4.4
70.83241	6.0
70.83571	6.8
76.23272	3.7
85.02922	11.1
91.05517	4.8
97.02887	6.2
101.00892	10.4
107.04920	6.4
119.01943	24.3
121.06496	6.0
123.04436	6.8
124.05201	4.9
131.01871	12.1
137.06001	6.9
139.03891	33.0
139.46390	4.2
143.01901	27.1
145.03455	12.0
149.05986	9.9
151.03888	6.5
155.01854	12.8
157.03551	4.5
161.02975	48.8
167.01920	6.6
167.07036	100.0
167.22917	4.5
173.03006	17.2
175.03909	6.3
177.05463	35.6
185.03008	32.5
193.05006	12.9
197.02975	10.1
198.98576	4.9
203.03838	17.9
209.08095	22.8
215.03944	4.1
227.03918	8.1
227.09145	50.5
229.04889	6.1
245.04999	91.4
257.04553	21.2
263.05991	25.0
275.06049	19.0
287.05478	37.1
299.05542	10.9
323.17041	4.7
425.08621	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73779	2.1
71.08997	4.5
85.02914	8.2
85.44794	2.4
89.10278	2.2
89.12695	2.0
91.01061	2.3
91.05489	4.4
97.02900	3.3
103.05441	7.1
106.04194	3.6
107.04948	2.8
115.66081	2.3
119.04909	2.2
121.06526	10.9
129.84418	2.1
131.04904	5.2
137.06020	6.9
143.01907	3.4
149.05971	16.1
155.02098	2.5
159.04474	3.8
161.02896	4.6
167.07043	100.0
168.07410	3.3
173.03003	3.8
177.05486	37.8
203.03938	3.0
209.08124	37.2
225.87503	2.4
227.09149	68.2
228.09535	3.6
245.05078	9.2
263.06250	3.4
265.03116	2.2
277.23676	2.5
364.12604	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	424.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.1
54.00335	4.5
55.05513	4.6
55.81066	4.7
56.03440	4.7
58.78453	4.2
65.16202	4.3
66.23291	4.4
67.05511	8.2
68.36257	4.4
69.03440	6.6
69.07072	7.1
69.17154	4.8
69.17772	33.2
70.06596	5.3
71.05014	5.6
75.24338	4.1
79.05506	9.2
81.03428	13.1
81.07079	12.0
85.02910	7.4
91.05453	8.5
93.07069	13.0
95.04986	9.2
95.08632	22.9
97.02917	7.9
97.06547	7.5
105.07043	10.6
107.08600	24.3
109.02901	6.7
113.19965	4.8
121.02919	7.0
121.06506	8.5
121.10176	8.6
123.04443	8.2
123.08053	4.9
125.05927	5.1
127.03906	7.1
131.04942	5.3
133.10133	5.2
148.18878	4.6
149.09680	5.9
151.03978	7.3
163.11163	10.7
167.10689	9.8
169.08643	30.3
181.12320	5.7
209.11798	8.2
227.12804	38.8
273.07578	8.1
287.22455	5.7
424.17227	10.7
425.12921	6.3
425.17764	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39340	2.0
53.03957	2.4
55.01884	3.6
55.05498	8.2
57.03439	25.5
59.04995	2.1
61.02928	4.4
67.05503	24.3
69.03432	39.3
69.07064	6.5
70.63601	6.4
70.63958	2.6
71.05012	2.5
73.02910	36.8
79.05492	3.1
81.03413	7.0
81.07063	8.2
83.04972	2.6
85.02906	45.7
87.04456	16.6
93.07037	9.0
95.04987	2.7
95.08604	100.0
96.08929	2.4
97.02888	40.0
97.10192	3.2
104.57587	2.4
105.07034	6.3
107.08591	15.1
109.02918	5.7
109.10178	3.1
113.09636	21.5
115.03912	40.4
119.08580	7.0
120.85269	2.1
121.10146	8.1
125.09647	4.4
127.03935	14.9
131.08562	3.8
133.04955	32.1
133.10106	2.9
135.08075	3.3
135.11665	2.4
137.09593	3.3
145.04956	12.9
145.10031	5.9
147.11775	3.0
149.09628	2.3
150.07613	6.0
155.10666	4.1
163.06055	4.6
163.11227	6.4
167.10686	3.5
169.08612	8.5
191.10704	4.1
209.11700	4.3
227.10876	2.4
227.12779	13.7
241.06956	2.9
323.19443	2.5
371.16785	4.0
425.17563	6.6
425.30420	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	424.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.6
55.01881	9.0
63.59845	2.8
67.05512	6.8
69.03432	9.8
69.06202	31.0
69.07042	4.5
71.04993	25.9
74.18309	3.7
75.47525	3.4
79.05490	14.1
81.03423	9.1
81.07059	5.3
83.04955	3.1
83.08634	5.7
85.02909	19.1
85.06538	5.9
91.05490	7.2
93.07066	14.4
95.04969	24.1
95.08598	8.9
97.02893	13.4
97.06521	7.7
99.04456	10.4
101.43202	3.1
105.07021	6.5
106.16505	3.5
107.04996	6.6
107.08604	10.4
111.04485	3.9
119.08594	5.0
121.10149	12.8
123.04440	4.1
125.09637	3.3
127.03900	29.2
131.08531	24.9
136.07610	3.9
139.03915	14.8
141.05495	4.2
143.79424	3.1
145.10165	14.9
149.09633	42.0
153.05486	11.2
163.11182	11.3
164.07077	3.6
173.09610	7.7
176.97424	3.1
181.12207	8.0
191.10698	19.2
209.11713	56.6
210.12144	4.7
227.12784	55.4
245.04428	4.7
245.13852	100.0
245.16360	5.8
246.14293	7.0
262.10742	3.9
304.12427	3.0
407.07471	6.4
415.27145	3.7
425.17978	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	424.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
63.61123	3.2
69.37147	11.7
69.37568	16.5
72.62271	3.6
79.05483	6.4
89.24486	3.9
95.04964	5.9
105.07018	10.9
107.04951	34.0
107.08601	5.8
124.55660	4.2
135.08054	7.5
143.70935	4.2
151.18275	4.0
163.07549	17.5
167.07007	20.2
187.14857	5.2
195.10147	100.0
196.10439	5.8
275.92697	4.4
424.32050	24.9
425.16101	8.0
425.25623	6.9
449.79840	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	424.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	18.2
64.47643	6.9
68.99780	13.1
81.07043	7.5
85.02890	8.1
91.05493	12.9
93.07042	13.5
95.04970	15.7
96.44390	7.2
107.08578	15.6
109.10139	9.8
119.08601	10.8
121.10141	46.0
123.04383	13.9
133.10118	9.2
139.03897	20.5
147.04332	8.1
151.11136	15.3
153.08975	9.2
161.96004	7.3
163.14835	14.2
164.07129	8.8
167.14275	17.7
173.13277	8.5
173.42140	7.9
191.03435	7.7
191.14281	7.5
203.03453	10.2
209.15364	82.9
245.04395	44.3
246.04820	10.6
257.04437	24.4
262.07709	7.4
269.64224	8.5
287.05484	25.3
299.05399	12.0
407.07404	14.5
425.09335	37.1
425.18228	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.2
55.01879	3.6
55.05511	12.4
57.07082	7.1
62.00857	2.3
62.12371	2.4
67.05511	15.9
69.03397	2.8
69.07070	23.5
69.17007	24.1
71.04984	4.7
71.08639	4.0
73.02896	2.9
76.35601	2.4
79.05498	10.8
81.03390	3.1
81.07053	40.5
83.04981	4.3
83.08609	6.9
83.64385	2.7
85.02911	25.8
85.06539	14.3
85.10196	3.5
88.93560	2.6
91.05489	16.0
91.71797	2.9
93.07039	15.7
95.04958	2.7
95.08602	31.2
97.06561	2.8
97.10153	3.1
98.23354	5.4
99.04466	6.1
101.02378	9.4
105.07042	17.0
107.08599	30.5
109.06534	6.3
109.10162	14.5
117.07002	3.6
119.08598	20.5
121.10142	27.9
123.08094	5.8
123.11709	32.2
127.07547	6.5
129.05832	2.7
129.06958	4.4
131.08575	9.6
133.10123	13.9
135.11684	9.7
137.13292	7.7
140.38724	2.7
141.09021	3.8
143.08609	6.0
145.10123	12.1
147.11694	41.0
149.13275	6.6
155.14325	8.5
157.10170	8.0
159.11684	5.1
161.13254	7.4
163.14853	8.1
165.09108	3.7
165.12781	21.4
169.10095	4.9
171.11703	10.1
173.13322	6.5
175.11223	3.1
175.14783	4.8
177.16405	5.7
183.12000	4.8
183.13802	100.0
183.15448	4.8
184.14189	4.9
185.13243	7.1
187.14822	4.0
189.16367	9.2
191.17931	3.6
197.13358	3.9
199.14865	8.2
201.14850	88.6
203.18022	5.3
209.12993	3.6
225.16440	3.4
240.04117	2.7
253.19710	2.6
267.61514	2.5
361.29013	4.2
379.29895	7.5
380.62122	2.7
407.29544	6.2
425.21533	26.8
425.30371	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1051
Annotation	HPF
Peak:m/z	Relative Intensity
50.41489	0.4
62.18644	0.4
68.73560	0.3
68.99796	0.4
69.03416	0.8
70.47066	0.9
73.52851	0.3
74.07314	0.3
75.15799	0.3
79.05490	0.4
81.03413	0.5
85.02900	1.3
91.05464	0.5
95.04974	0.6
97.02884	0.8
97.33720	0.4
107.04975	0.7
109.02891	0.5
111.04420	0.4
118.06516	0.4
123.04428	1.0
125.05005	0.3
127.04022	0.6
127.05037	1.2
132.08089	2.6
135.04420	0.9
139.03882	1.8
139.50369	0.3
144.08090	0.4
146.06013	1.4
147.04457	0.4
151.03882	0.5
163.00114	0.4
163.03900	0.8
169.05045	0.4
175.03920	0.5
179.03410	0.5
181.05000	0.5
181.12137	0.4
188.07074	1.9
199.02193	0.7
201.05711	0.3
203.03508	0.5
214.10997	0.8
241.04822	0.4
245.04494	2.2
245.12886	1.8
249.07358	11.7
250.07616	0.5
257.04471	0.6
263.05646	0.6
263.13959	4.6
269.04431	0.4
273.03961	0.6
276.87308	0.4
287.05521	0.9
291.08536	1.5
299.05643	0.8
319.25146	0.3
346.92172	0.4
379.08398	0.8
407.07477	2.4
425.10495	100.0
426.10831	8.5
426.15479	0.2
426.16843	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14078	0.5
53.71391	0.5
59.40025	0.5
69.91522	1.1
69.91906	1.0
77.80176	0.5
80.52596	0.5
81.03421	0.5
82.99780	3.0
83.46708	0.5
96.92841	0.7
97.02871	1.3
101.00877	20.7
102.00932	0.6
109.02854	0.7
113.00867	4.4
119.01915	28.0
120.02007	1.9
127.02409	3.4
129.03952	0.6
129.42537	0.5
131.01907	11.7
137.02937	2.1
139.02396	1.5
139.03912	1.2
143.01889	37.2
144.02045	2.1
145.03447	12.3
147.01382	1.3
149.02960	0.8
155.01884	16.3
156.01968	0.8
157.03453	7.1
158.03548	0.6
161.02950	52.0
162.03093	3.7
163.04477	0.6
167.01889	9.4
169.03439	3.9
170.03732	0.6
171.05011	1.8
173.02942	21.7
174.03093	1.3
175.04495	1.9
179.01917	4.2
179.03894	0.6
180.01978	0.5
184.04544	1.3
185.02945	35.8
186.03108	3.1
187.04498	3.6
189.05914	0.6
191.04008	5.4
197.02946	13.3
198.03177	1.1
199.04518	1.2
203.04005	16.0
204.04135	0.9
209.02835	0.9
215.03984	7.1
216.04124	0.8
221.05067	1.4
227.04013	9.5
233.05103	1.4
239.03899	0.8
245.05052	100.0
246.05269	9.5
250.89433	0.7
251.03078	2.2
257.04987	6.4
263.06110	25.1
264.06262	2.2
275.06073	13.3
276.06284	1.6
287.05557	1.4
293.07205	3.3
305.07190	7.5
329.73672	0.5
335.08185	1.8
365.09372	3.9
425.10989	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.6
58.71303	0.5
68.08498	0.6
69.03395	0.7
70.06595	0.6
71.15099	1.1
72.31095	0.5
82.42524	0.7
84.06030	0.5
85.02898	0.9
86.74382	0.5
91.05470	0.8
94.03161	0.5
97.02847	0.7
101.95259	0.5
102.15029	0.5
107.04919	0.6
109.02847	0.9
123.04406	1.5
127.03914	4.6
135.04407	0.6
137.02356	4.4
137.05937	0.6
139.03854	2.2
147.04375	2.3
151.03796	0.9
153.01810	2.2
155.03404	0.6
161.05917	0.7
163.03903	0.9
167.06992	0.9
179.03398	0.7
185.04234	3.0
203.03442	1.4
211.07600	0.7
219.13533	10.1
220.14015	0.8
229.04967	1.5
230.05423	0.6
240.05496	1.0
245.04424	2.7
245.08064	0.9
245.11438	0.8
257.04413	17.3
258.04990	1.3
263.12531	100.0
264.12866	4.7
271.05966	0.6
273.03922	0.7
287.05518	3.5
291.45901	0.7
299.05518	1.1
407.07355	1.5
425.09491	6.9
425.17804	93.0
426.18088	7.6
432.84650	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2169
Annotation	Nigakilactone H
Peak:m/z	Relative Intensity
53.03949	2.8
54.83268	1.2
55.01868	3.3
55.05511	8.7
57.03424	1.3
57.07082	2.4
59.04995	1.2
65.03924	2.5
67.05502	15.0
68.21192	1.1
69.03441	3.2
69.07064	11.2
70.07408	1.3
71.04994	12.2
71.31983	1.9
79.05491	13.2
81.03421	3.5
81.07056	27.9
83.05002	5.6
83.08621	3.9
85.02918	3.1
85.06538	7.5
91.05480	16.0
91.24094	1.2
93.07044	24.5
95.04977	4.9
95.08604	28.3
97.06552	4.3
97.10205	2.7
99.04468	1.2
99.08096	1.8
103.05484	2.4
105.07029	28.5
106.07365	1.7
107.04990	2.9
107.08598	25.2
108.08974	1.7
109.02886	1.3
109.06520	4.8
109.10155	19.4
110.10498	1.4
111.04466	2.6
111.08060	2.6
113.05980	1.1
113.09724	1.1
115.05471	2.6
117.07054	6.8
119.04933	1.6
119.08582	19.5
121.02875	3.5
121.06497	2.7
121.10141	21.1
123.04440	4.4
123.08067	4.4
123.11699	10.0
125.05913	1.3
125.09661	1.4
128.06287	2.2
129.06999	4.9
131.04895	2.0
131.08588	12.3
133.06493	14.4
133.10120	25.9
135.04407	1.2
135.08081	4.7
135.11682	7.8
136.13116	1.4
137.06020	2.1
137.09634	3.7
137.13286	4.0
139.88907	1.0
141.06943	2.4
142.07680	1.6
143.08586	9.5
145.06499	2.5
145.10124	14.7
146.34180	1.2
147.08041	8.6
147.11684	11.5
149.02318	4.3
149.06010	1.6
149.09647	5.1
149.13248	5.8
151.03976	5.8
151.11180	100.0
152.11546	4.3
153.07169	1.6
155.08586	3.5
155.14285	6.3
156.09375	1.5
157.05049	1.2
157.10156	10.2
159.08028	1.8
159.11653	10.9
161.05934	2.2
161.09619	3.3
161.13229	9.1
163.07516	2.0
163.11166	3.7
163.14787	5.6
165.05568	1.5
165.09114	13.6
167.07114	2.1
167.08527	2.2
169.10089	6.1
171.08133	2.0
171.11688	8.1
173.05960	2.4
173.09570	3.6
173.13284	9.2
175.07545	3.7
175.11200	2.3
175.14841	4.9
177.05551	1.3
177.16437	3.8
179.07050	1.3
179.10658	1.5
181.10135	1.5
182.10898	1.2
183.11694	3.5
185.09650	1.9
185.13229	5.5
187.07600	1.5
187.11194	2.8
187.14845	6.0
189.05531	1.7
189.09129	4.1
189.12755	3.9
189.16420	4.6
191.07057	2.9
191.10616	2.0
191.14331	4.4
191.17921	1.6
195.11780	4.3
197.13301	4.4
199.14847	4.9
201.09079	1.6
201.12727	3.5
201.16449	4.0
203.06995	1.5
203.10712	1.6
203.14314	1.5
203.17981	4.5
205.08617	4.0
205.12210	2.1
209.13344	2.7
211.14862	3.9
213.12791	3.7
213.16409	2.3
215.14349	2.3
215.17886	2.1
217.08669	1.9
217.12325	4.0
217.19456	1.3
219.13837	6.4
223.14818	2.1
225.07651	1.8
225.16356	2.1
227.10687	1.5
227.17921	1.6
229.15796	2.0
229.19661	1.4
231.13791	2.0
233.08153	2.9
233.15344	2.7
237.07841	1.4
237.16481	2.1
239.18079	2.1
241.12276	2.5
241.16144	1.4
243.17467	1.7
245.11722	3.9
245.15302	1.9
253.19458	2.2
259.13260	6.7
267.17224	1.3
269.11847	3.3
269.19241	2.2
270.19772	2.1
271.05969	2.9
273.07654	1.6
283.20514	2.5
287.12732	9.8
291.15860	6.4
295.20560	1.6
297.18466	1.6
299.09335	2.1
301.14334	3.5
305.13885	2.0
311.09012	2.0
311.16321	1.6
311.19800	1.7
319.15485	8.9
329.17426	3.1
329.21118	10.0
331.19028	3.7
337.16467	14.2
338.17038	1.6
341.21048	2.5
361.20264	2.2
375.18124	4.4
379.30176	2.4
389.19458	2.6
407.20877	1.9
407.28818	2.3
407.33206	5.2
425.16333	3.4
425.21606	5.4
425.25589	3.9
425.30493	8.3
425.34341	8.5
426.34097	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	425.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.56631	0.2
67.05494	0.4
69.95107	0.6
69.95496	0.4
79.05486	0.2
81.07042	0.3
93.07034	0.5
95.08625	0.3
99.10615	0.2
105.07013	0.5
107.08562	0.3
109.10162	0.3
119.08581	0.4
133.10120	0.2
145.10104	0.4
165.09146	0.6
167.07065	0.3
189.12778	0.3
241.23360	0.2
257.04514	0.3
327.18066	0.4
351.21545	0.3
352.48004	0.2
425.25101	100.0
426.25436	9.5
426.31210	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	1.0
69.07051	1.1
69.43281	2.4
69.43693	1.6
73.82262	0.8
79.05476	0.7
81.07049	1.2
93.07032	1.1
95.08620	2.3
98.23340	1.2
104.05703	0.7
105.07050	1.0
107.08582	0.8
119.08583	1.5
123.11765	0.7
137.05997	0.9
145.10042	0.8
152.51120	0.6
187.11176	0.7
193.04871	1.0
250.32903	0.7
311.09357	0.9
345.06055	0.8
425.25134	100.0
426.25388	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	425.305
Annotation	Norselic acid C
Peak:m/z	Relative Intensity
53.03938	2.1
55.05513	10.8
57.07078	3.6
59.71636	1.0
67.05509	19.0
69.03419	1.1
69.07066	19.8
70.45435	2.4
70.45792	2.2
71.04986	1.9
72.83997	1.1
79.05495	14.6
80.05808	1.1
81.07057	40.8
82.07398	1.5
83.08616	7.7
85.02934	1.3
85.06540	12.7
91.05475	17.5
92.05813	1.5
93.07044	34.1
94.07374	1.4
95.04955	3.2
95.08604	55.2
96.08924	2.0
97.06538	1.4
97.10165	4.0
103.05499	1.2
105.07031	29.5
106.28053	1.2
107.08593	41.1
108.08922	1.8
109.06493	1.8
109.10153	32.7
117.07014	7.7
119.08576	31.2
121.10139	31.8
122.10444	1.2
123.08038	1.5
123.11706	12.2
129.06978	7.2
131.08557	16.7
133.10126	26.9
134.10431	1.5
135.11684	24.3
137.09654	2.9
137.13251	13.4
141.06950	2.3
142.07822	2.4
143.08551	10.8
145.10115	21.1
146.10524	1.4
147.08072	1.6
147.11691	20.5
149.09567	2.3
149.13254	22.6
150.13612	1.3
151.14807	2.3
153.07089	1.2
155.08601	5.9
156.09312	2.0
157.10109	16.8
159.11685	15.9
160.12216	1.1
161.09572	2.0
161.13228	11.6
163.11183	2.6
163.14841	15.7
165.09099	6.7
165.12740	1.6
167.08591	2.9
167.10698	1.4
168.09485	1.3
169.10106	8.1
171.11664	19.7
173.09624	3.5
173.13248	9.1
175.11206	3.7
175.14825	15.8
177.12788	2.5
177.16377	13.7
181.10127	4.2
183.11685	9.9
184.14203	2.4
185.13264	15.9
187.11205	3.2
187.14819	9.8
189.09085	1.7
189.12776	4.9
189.16391	18.8
190.16702	2.1
191.17917	10.3
195.11769	5.6
196.12379	1.2
197.13213	7.2
198.13913	1.4
199.11143	2.2
199.14809	13.9
201.12804	3.4
201.16443	6.4
202.15207	1.3
203.10674	2.3
203.14261	2.0
203.17950	17.8
204.18344	1.6
205.12236	1.7
207.11696	1.5
209.11617	1.3
209.13261	5.9
211.11349	1.2
211.14786	8.3
213.12787	1.9
213.16418	5.1
215.14301	5.9
215.17883	1.7
217.12267	1.6
217.15916	5.8
217.19653	1.1
220.32005	1.3
221.13367	2.1
223.14915	7.1
225.16330	7.2
227.14256	5.4
227.17865	2.5
229.12267	2.3
229.15950	6.2
231.13768	1.8
231.17299	1.5
237.16417	5.1
239.18002	2.9
241.15842	4.6
243.17484	4.9
243.21182	1.4
245.15468	5.7
247.13303	1.5
249.16551	1.4
251.17995	6.5
253.19569	3.3
255.13823	1.3
255.17422	4.6
255.21060	2.0
257.15506	2.9
257.19186	1.6
259.16864	1.2
261.14813	2.8
263.16266	1.9
265.19543	3.5
267.17288	2.2
269.15335	4.1
269.19144	4.1
271.16843	1.8
273.14847	3.3
275.16431	3.6
277.19693	1.9
283.17148	2.6
283.20624	3.9
287.16492	4.4
289.17899	2.9
291.21176	2.3
295.20563	1.7
297.18408	4.1
301.17957	2.7
305.22598	2.0
309.18481	1.2
309.22086	1.6
311.20032	2.4
315.19608	5.5
323.23816	1.6
327.19647	1.5
329.21027	8.5
337.21579	1.4
341.21021	4.1
343.22586	2.3
351.23294	1.9
355.22754	3.9
361.28854	12.9
362.29578	1.8
369.24210	4.2
379.29907	19.9
380.30481	3.0
383.25739	3.1
407.29443	19.8
408.29602	3.3
425.21329	5.5
425.30475	100.0
426.30817	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	425.3412
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
53.03960	1.1
55.05512	10.8
57.07068	3.1
61.82973	0.9
67.05506	13.2
68.63573	0.9
69.03423	1.3
69.07067	12.3
71.08646	1.0
71.31548	1.5
79.05485	12.9
81.07056	31.1
81.07500	2.1
81.29790	1.1
83.04993	2.2
83.08621	6.9
85.06561	2.1
87.04457	1.9
91.05478	13.0
93.07046	29.1
93.07613	1.9
95.04981	2.7
95.08607	52.6
96.08947	1.5
97.06530	1.7
97.10188	4.1
99.08112	1.9
105.07027	28.6
107.08592	42.5
108.08945	1.3
109.06533	2.9
109.10158	30.1
110.10371	0.9
111.08085	3.6
117.07021	5.2
119.08580	34.7
120.08879	1.3
121.06511	2.3
121.10137	34.2
121.10977	2.2
123.08092	4.1
123.11700	10.8
125.09683	1.6
129.07005	2.7
131.08560	19.0
131.09465	1.6
133.10127	25.5
135.08089	1.3
135.11697	16.8
135.12648	1.2
137.09648	2.3
137.13235	7.7
139.11223	1.6
141.07068	1.2
143.08565	7.6
145.10118	23.1
145.11215	1.2
147.08017	1.2
147.11693	22.5
149.06047	1.0
149.09666	2.9
149.13261	38.0
149.14464	1.9
150.13602	1.6
151.11195	4.7
155.08574	1.8
156.09351	1.5
157.10129	9.3
158.10866	1.2
159.11690	25.1
159.12939	1.6
160.12027	1.3
161.13255	15.4
163.11232	2.2
163.14825	36.3
163.16211	1.9
164.15242	1.6
165.12738	1.2
169.10170	2.3
170.10956	1.2
171.11667	9.1
172.12393	1.3
173.13251	15.8
175.14819	12.9
177.12767	2.9
177.16397	7.8
179.14348	1.1
183.11688	2.8
185.13278	11.3
187.11281	1.0
187.14824	25.0
188.15250	1.1
189.12813	1.0
189.16393	14.2
189.17978	1.2
191.14404	2.0
191.18056	3.1
197.13281	3.2
199.14833	8.8
201.16386	25.0
201.18105	1.6
202.16827	2.1
203.14349	3.1
203.17967	12.7
205.15855	5.4
207.17519	2.0
209.13391	1.8
211.14908	3.4
213.16396	8.4
215.14542	1.6
215.17976	12.2
217.15982	1.6
217.19514	1.7
219.13817	2.3
219.17432	1.7
221.15448	2.1
223.14867	1.4
223.16908	1.4
225.16429	2.2
227.17917	7.5
228.18687	1.1
229.15883	1.9
229.19426	7.2
231.17566	1.3
233.19156	1.4
235.14850	1.3
235.17061	1.1
237.16402	1.5
239.18091	2.5
240.18568	1.2
241.19507	5.6
242.20364	2.0
243.21037	4.8
251.18121	1.4
253.19643	1.8
255.21066	17.8
256.21487	1.9
257.19177	2.1
257.22684	2.4
263.19870	1.2
267.21115	1.6
269.22668	10.2
270.23245	1.2
275.20193	2.8
279.20963	1.2
281.22772	1.0
289.11792	1.0
289.21649	1.1
295.24329	1.5
301.21603	7.6
309.25900	1.1
311.23804	3.2
329.24667	6.6
351.26675	1.0
355.26431	2.5
383.29697	1.1
389.32294	2.6
407.28867	1.1
407.33261	10.5
408.33908	1.1
425.34241	100.0
426.34567	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	425.3409
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
55.05505	10.0
57.07076	3.3
59.04979	1.1
59.08309	1.1
65.03944	1.8
67.05500	18.3
69.03432	1.2
69.07063	18.9
71.04984	2.7
71.33557	1.8
79.05487	13.0
81.07053	37.5
82.07410	1.1
83.04992	1.7
83.08620	12.5
91.05482	10.2
93.07043	27.5
95.04964	1.5
95.08599	38.1
96.08937	1.8
97.06557	3.4
97.10181	3.2
105.07022	22.5
107.08589	33.3
109.06518	2.7
109.10159	22.6
110.08710	1.1
111.08096	4.5
117.07002	4.5
119.08577	28.4
121.06504	1.3
121.10133	24.0
123.08093	2.3
123.11702	8.8
125.09653	1.9
127.07459	1.1
129.07040	1.5
129.09152	2.1
130.07788	1.6
131.08556	13.3
133.10126	21.0
135.08076	2.4
135.11688	14.9
137.09604	2.6
137.13237	8.3
139.11185	1.8
142.07747	1.2
143.08578	5.4
144.09319	2.0
145.10115	14.7
146.10500	1.3
147.11684	19.4
148.12045	2.4
149.09641	1.8
149.13257	27.1
150.13583	2.3
151.11214	2.1
153.12794	1.0
155.08607	1.7
157.10129	9.7
159.11702	14.5
161.13223	9.8
161.97484	1.1
163.11195	2.1
163.14813	36.5
163.41391	1.1
164.15140	1.7
165.12715	2.2
169.10275	1.7
171.11714	6.0
173.11835	2.0
173.13237	9.6
175.11166	1.7
175.14803	11.5
177.16405	7.4
181.12303	1.4
183.11682	2.0
185.13280	6.2
187.14827	14.1
187.16342	1.6
189.16380	13.3
191.14371	1.8
191.17914	2.3
193.15781	1.4
195.13818	1.1
197.13197	2.2
199.14877	5.5
200.15230	1.3
201.12761	1.3
201.16394	13.9
203.14374	3.4
203.17976	10.1
205.15892	3.5
205.19572	1.7
207.17514	4.1
209.13272	1.2
211.14929	4.1
213.16336	5.2
215.17937	10.3
217.15916	1.4
221.15346	1.2
223.17020	1.4
225.16409	2.3
227.17818	6.2
228.18600	1.5
229.19490	6.8
231.17531	2.3
233.19118	1.6
235.17094	1.5
239.18098	2.0
241.19554	4.9
243.21217	4.1
253.19629	2.1
255.21075	15.5
261.22241	1.9
267.21216	1.7
269.22586	7.8
275.20114	4.1
279.23300	2.0
295.24167	1.8
301.21600	15.5
302.22272	1.2
309.25897	1.5
311.23706	1.8
329.24774	3.0
389.32230	2.3
407.33353	10.1
408.33374	1.9
425.34247	100.0
426.34686	12.9
428.65094	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3411
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
53.03956	1.3
55.05510	4.1
57.07076	1.9
64.97407	1.0
66.44429	0.7
67.05508	7.0
69.03438	0.9
69.07065	10.0
70.80437	1.8
71.04997	1.0
79.05499	8.3
81.07053	30.8
83.05002	1.1
83.08612	4.4
85.06547	0.9
91.05483	7.2
93.07043	16.7
93.07603	1.2
94.07391	0.9
95.04966	1.2
95.08604	25.0
96.08967	0.9
97.06535	1.2
97.10187	1.5
105.07024	17.5
106.07345	0.9
107.08588	22.3
108.08969	1.0
109.06521	1.7
109.10150	13.0
111.08057	1.4
117.07030	3.3
119.08575	18.5
121.10151	14.1
121.10980	1.1
123.08056	2.1
123.11723	5.9
123.90883	0.9
125.09650	1.0
128.06166	1.2
129.07027	2.3
131.08571	8.2
133.10124	16.8
135.08014	1.0
135.11671	7.2
137.09598	0.8
137.13258	8.2
142.07747	1.3
143.08525	4.9
145.10133	12.2
147.11678	18.0
149.13249	28.0
150.13623	1.1
151.11237	2.5
155.08594	1.6
156.09305	1.2
157.10130	7.1
159.11714	10.0
161.09584	1.3
161.13264	6.9
163.11180	1.3
163.14815	43.9
164.15190	2.0
165.12755	1.0
169.10129	1.8
170.10796	1.1
171.11700	6.1
172.12421	1.0
173.13229	7.0
175.11276	1.3
175.14821	8.5
177.12813	1.3
177.16389	4.9
178.16734	0.9
183.11687	1.7
184.12465	1.0
185.13202	5.9
187.11194	0.9
187.14833	9.8
189.16353	7.6
191.14285	1.0
193.15916	1.2
197.13264	1.6
199.14915	4.5
201.16382	6.9
202.79677	1.0
203.14288	1.9
203.17964	10.3
204.18404	1.0
205.15976	2.2
211.14919	1.8
213.16383	5.4
214.17102	0.9
215.17938	10.9
217.15991	1.2
217.19592	1.1
223.16991	1.4
225.16402	1.1
227.17900	7.2
228.18773	3.0
229.19478	6.8
231.17484	1.1
239.17889	1.5
241.19484	4.7
242.20245	2.3
243.21065	4.3
253.19580	2.3
255.21068	19.9
256.21564	1.5
257.19144	1.4
257.22708	2.0
265.19556	1.0
269.22607	10.7
271.20392	0.9
275.20047	6.3
281.22559	1.5
283.20731	1.8
295.24069	0.9
301.21600	25.7
302.22015	1.7
389.32184	3.1
407.33163	5.8
425.34207	100.0
426.29776	1.2
426.34622	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	425.3413
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
53.03959	0.6
53.53012	0.4
54.51996	0.4
55.05512	4.8
57.07070	1.7
59.04998	0.5
65.03920	0.7
67.05501	4.7
69.03396	0.7
69.07072	5.9
70.56975	1.1
79.05485	3.4
81.07052	8.4
83.04974	1.4
83.08630	2.4
85.06538	1.2
91.05481	3.2
93.07044	7.0
95.04966	0.7
95.08604	9.9
96.08987	0.5
97.10183	1.7
97.74901	0.5
105.07028	7.5
106.36719	0.4
107.08604	10.3
108.08862	0.4
109.06507	0.9
109.10161	7.4
111.08069	0.8
117.07031	1.8
119.08579	9.2
121.06499	1.2
121.10139	7.2
123.08068	1.2
123.11756	2.8
125.09646	0.4
127.21404	0.4
129.06973	0.7
131.08591	2.9
133.06488	1.5
133.10126	7.4
134.10431	0.7
135.08052	2.0
135.11682	4.8
137.09692	0.5
137.13268	1.0
143.08568	2.0
145.06476	1.0
145.10118	5.3
147.08052	4.8
147.11682	5.2
149.09624	1.0
149.13284	2.0
151.11104	1.0
155.08528	0.6
157.10107	2.7
159.08061	0.5
159.11665	4.5
161.09644	2.0
161.13263	5.3
163.11194	0.9
163.14853	1.8
165.12758	0.7
169.10127	0.8
170.10939	0.8
171.11682	2.2
173.09720	0.6
173.13274	3.6
175.11198	1.3
175.14832	2.1
177.12721	3.3
177.16547	0.6
179.14287	0.7
183.06544	0.6
183.11705	0.7
185.13234	3.2
187.14821	2.5
189.12714	4.7
189.16325	2.2
191.14349	1.3
191.17950	1.0
197.08075	0.8
197.13193	0.7
199.11218	1.1
199.14856	1.2
201.12733	6.0
201.16368	2.5
203.14308	29.8
203.17918	4.1
204.14795	2.3
205.15880	18.9
205.18999	0.5
206.16199	1.0
207.06639	0.7
207.17603	0.5
213.16385	1.3
215.14403	1.5
215.18002	1.3
217.15858	2.5
219.17470	1.0
225.07574	1.3
227.14186	0.9
227.18085	0.9
229.15887	1.3
229.19527	1.1
230.16556	0.7
231.17522	0.9
233.19043	0.6
241.19530	0.6
243.17569	0.9
245.19011	0.5
257.19073	0.6
269.19095	0.6
271.20694	1.5
279.23218	0.6
285.22241	0.6
297.22040	0.7
325.25308	0.5
377.31165	0.5
405.79349	0.4
407.33112	7.3
408.33789	0.6
425.34155	100.0
426.34497	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	425.3413
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
53.03961	2.2
55.01884	1.0
55.05514	11.1
57.07080	3.4
58.84827	1.0
65.03947	1.3
67.05509	19.1
67.14981	1.1
69.03450	1.2
69.07066	16.9
69.07402	1.4
71.05007	2.7
71.31819	1.1
79.05487	13.6
79.05877	1.3
81.07059	35.7
83.05002	3.6
83.08620	11.3
83.09026	1.0
83.83026	0.9
85.06569	4.1
91.05473	14.3
93.07048	33.7
95.05000	4.2
95.08610	40.5
96.08916	1.1
97.06566	3.8
97.10214	4.2
99.08086	6.3
102.08041	1.3
105.07034	30.2
106.07384	1.9
107.08599	39.1
108.08957	2.1
109.06557	3.1
109.10159	27.1
110.10513	1.5
111.08123	2.8
111.11795	1.6
113.06053	1.0
113.09695	1.6
117.07079	4.3
119.08584	32.6
119.09393	2.0
121.06556	2.1
121.10143	32.3
122.10530	1.1
123.08110	4.6
123.11693	12.8
124.12090	1.3
125.09682	1.3
128.06282	2.0
129.07025	1.7
131.08569	13.0
133.06599	1.3
133.10132	24.5
134.04480	1.3
135.08084	3.4
135.11690	20.7
135.12619	1.7
136.12057	1.4
137.09576	6.3
137.13245	5.5
139.11249	1.7
139.19675	1.0
141.07045	1.2
142.07840	3.2
143.08551	8.1
145.10120	19.9
147.08051	2.2
147.11711	20.4
149.09659	3.0
149.13258	16.9
149.14270	1.3
151.11269	2.8
151.14899	1.2
153.09206	1.1
155.08644	3.1
156.09412	1.4
157.10133	11.4
157.11186	1.0
158.10846	1.4
159.11690	17.6
160.12137	1.1
161.09700	3.4
161.13261	10.2
163.11269	3.4
163.14821	11.6
165.09077	7.4
165.12817	2.7
167.10855	1.3
169.10182	4.1
171.11690	12.8
171.21207	1.3
172.12399	1.3
173.09703	1.7
173.13239	14.7
175.11342	2.4
175.14815	11.1
177.12852	3.0
177.16382	8.0
179.14410	3.7
183.11661	6.3
184.12445	1.6
185.13266	11.7
186.13968	1.4
187.11200	2.0
187.14830	12.8
189.12831	3.0
189.16400	9.9
191.14458	2.3
191.18063	3.3
195.11809	1.6
196.12608	1.1
197.13206	5.7
198.14041	1.2
199.14783	9.6
201.12799	1.8
201.16437	8.9
202.16864	1.8
203.14323	7.0
203.18076	4.2
204.18294	1.1
205.15884	5.6
207.17540	2.1
209.13290	2.3
211.14929	4.5
213.16309	9.6
215.14479	1.7
215.17964	6.5
217.12326	1.5
217.15923	6.6
219.17563	2.6
223.14877	2.2
225.16342	5.0
227.17981	5.7
229.12291	1.1
229.15930	2.5
229.19608	3.4
231.17537	4.3
237.11333	2.4
237.16565	1.6
239.17990	4.6
241.19502	5.2
243.17532	2.4
243.21272	2.9
245.19093	2.0
247.16982	1.6
249.18565	3.8
251.18108	2.2
253.19617	5.8
255.17560	1.3
255.21111	4.8
257.19189	3.3
259.20776	2.0
261.22568	1.2
267.21176	3.9
269.22858	1.4
271.20526	4.7
273.22253	3.1
275.20325	1.1
277.21652	1.6
281.22842	1.1
283.20535	1.4
285.22263	4.5
293.22867	1.3
301.21588	2.0
311.23642	1.4
329.24863	1.3
337.28912	6.4
351.27292	1.6
367.30096	1.6
379.29956	2.2
389.32059	8.0
407.33191	35.4
408.33530	4.4
425.34378	100.0
426.34842	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	425.3412
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
53.03942	2.8
53.29163	1.1
55.01879	1.5
55.05511	14.5
57.03443	1.4
57.07073	4.7
65.03934	2.1
67.05500	27.7
67.05862	1.5
69.03431	2.2
69.07065	25.3
70.18937	1.1
70.58405	2.4
71.04995	3.7
71.08636	1.6
75.81083	1.1
77.67781	1.1
79.05494	17.3
81.07052	48.7
82.07383	1.8
83.04990	2.7
83.08615	11.8
85.06554	4.3
91.05464	18.3
91.05971	1.3
93.07045	39.9
94.07416	1.5
95.04991	3.6
95.08603	58.4
96.08949	1.5
97.06548	4.3
97.10164	6.1
99.08121	1.8
103.05489	1.7
105.07022	36.8
105.07730	1.9
106.07328	1.5
107.04987	1.4
107.08593	46.2
108.08945	2.1
109.06548	4.7
109.10149	40.3
109.10879	2.2
111.04497	1.7
111.08096	4.2
111.11720	1.7
113.09694	1.6
115.05428	1.4
117.06987	6.1
119.08577	44.9
120.08854	2.8
121.06531	3.7
121.09274	2.6
121.10142	43.1
122.10544	1.2
123.08115	5.5
123.11702	16.9
125.09662	3.7
128.06267	2.2
129.07053	3.9
131.08559	20.8
132.08951	1.4
133.06508	1.4
133.10114	28.4
134.10530	2.4
135.08081	4.4
135.11684	23.7
135.12643	1.9
136.12018	1.6
137.05914	1.3
137.09619	5.5
137.13235	7.4
139.11188	2.5
141.07013	1.4
142.07787	2.7
143.08566	11.8
144.09302	2.3
145.10115	26.8
147.08061	2.1
147.11670	24.3
149.09642	4.3
149.13254	30.5
150.13615	1.8
151.11206	2.9
151.14821	1.7
155.08560	2.5
156.09341	2.5
156.22586	1.2
157.10132	13.4
158.10916	2.1
159.11684	22.7
159.12912	1.3
160.12149	1.3
160.23370	1.1
161.09653	4.1
161.13248	14.1
162.13649	1.6
163.11238	2.8
163.14815	39.7
164.15163	1.7
165.09044	1.1
165.12849	2.8
168.09402	1.5
169.10114	5.6
170.11015	1.5
171.11671	10.7
172.12346	1.4
173.09641	1.4
173.13248	16.7
174.13647	1.6
175.11226	3.2
175.14803	13.4
177.09314	1.3
177.12830	4.1
177.16403	15.9
178.16853	1.4
179.14412	1.7
181.10100	2.5
183.11763	4.7
185.13228	10.0
187.14810	19.1
187.16301	1.4
189.12779	3.0
189.16362	13.4
191.14389	3.9
191.17952	6.5
193.12270	1.7
193.15907	2.8
197.13309	3.3
199.14795	9.8
201.12717	1.6
201.16344	15.7
202.16826	1.2
203.14415	2.4
203.17955	11.9
205.15967	4.4
205.19577	1.3
207.13776	1.6
207.17618	2.1
209.13336	1.6
209.15425	1.7
211.14839	7.1
213.16417	7.5
214.17021	1.5
215.17947	20.0
215.19725	1.5
216.18118	1.4
217.15976	3.2
217.19588	3.6
219.13872	1.5
223.14719	1.5
225.16495	3.1
227.14514	1.5
227.17981	7.6
229.15979	4.6
229.19633	5.1
231.21173	3.0
233.19130	1.8
235.17020	4.6
237.16460	2.0
239.18036	2.8
241.19475	7.0
243.21019	5.4
244.21364	1.1
245.18980	1.3
247.17050	4.0
253.19583	2.4
255.21059	12.7
257.19046	2.2
257.22903	2.7
261.18832	1.4
261.22244	2.4
265.19638	1.7
269.19684	1.2
269.22604	6.3
275.20209	3.0
279.23279	7.2
281.19528	1.4
281.22720	2.0
283.20810	1.7
293.22665	1.3
301.21640	8.8
309.25830	1.4
311.23605	1.4
329.24854	2.9
332.21582	1.5
347.27521	1.4
363.30597	1.2
379.26224	1.5
382.05286	1.2
389.32150	5.9
407.28726	1.9
407.33170	14.7
408.33743	2.0
425.34332	100.0
426.34738	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	425.3413
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
53.03970	2.7
55.05516	22.2
56.32932	2.6
57.07074	8.3
67.05502	30.7
69.07071	31.3
69.27954	5.7
69.28356	13.8
71.08623	2.8
79.05495	21.0
81.07052	52.6
82.07408	3.0
83.05002	2.6
83.08614	20.1
84.98133	2.4
85.06554	4.2
86.16284	2.4
91.05483	19.0
93.07047	59.5
94.07422	2.2
95.04993	2.8
95.08607	93.8
95.09189	5.5
97.06545	3.6
97.10180	11.1
99.04475	3.4
105.07027	38.8
107.08591	67.9
109.06544	6.3
109.10148	48.9
109.10845	3.4
110.10476	2.4
111.08090	12.8
114.06246	2.3
117.07050	7.4
119.08580	56.0
119.09377	3.3
120.08974	3.2
121.10143	57.5
121.10957	4.1
123.08093	7.1
123.11672	12.2
123.19757	2.7
125.09608	3.4
127.07583	2.7
129.07013	3.0
131.08545	19.2
133.10124	40.9
135.08115	7.9
135.11694	34.2
137.09602	6.3
137.13283	6.9
143.08604	9.8
143.10736	2.9
145.10135	30.8
146.10535	2.4
147.08087	10.2
147.11676	22.9
149.13251	25.8
150.13550	2.4
151.11258	3.8
157.10146	13.4
159.11687	23.0
161.09624	7.2
161.13266	20.3
163.11159	5.2
163.14809	31.3
163.15910	2.4
167.10748	5.6
169.10236	4.3
171.11732	10.5
173.13298	21.4
175.11244	7.1
175.14807	29.8
177.12885	3.0
177.16403	16.8
179.10777	3.0
183.11757	3.7
185.13329	9.8
187.14812	37.4
189.12790	5.0
189.16376	30.6
191.18001	12.9
197.13306	3.2
199.14806	12.4
201.13303	2.5
201.16365	34.1
202.16699	2.8
203.14265	13.2
203.17966	16.2
205.15921	15.3
207.17421	3.3
211.14900	2.8
213.16420	11.0
215.18051	7.7
217.15887	26.6
217.19469	4.6
219.17516	7.3
225.16385	2.8
227.18037	6.7
229.19621	8.5
231.21136	4.4
235.16949	12.7
241.19623	7.0
245.19135	4.7
255.21057	3.7
259.20718	5.4
275.20251	3.7
283.24203	3.2
289.22095	2.7
295.24219	2.9
301.21594	3.8
375.00125	2.9
383.11557	2.5
389.32086	5.1
407.33301	34.0
408.34052	4.0
425.34351	100.0
426.35043	11.9
429.04694	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	425.341
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
53.03933	3.6
55.05510	24.8
57.03397	2.2
57.07068	9.9
58.31098	1.9
65.03939	2.2
67.05505	30.5
68.05815	2.3
69.07067	40.0
70.60564	2.2
70.60889	3.7
71.05000	3.5
71.08629	2.0
79.05491	24.7
79.45608	1.8
80.05825	1.8
81.07053	46.5
83.08622	19.3
85.06538	2.7
91.05466	23.8
91.05990	2.7
93.07043	39.8
95.05008	3.3
95.08605	65.6
95.09210	4.1
97.06550	5.4
97.10166	13.2
99.04465	5.5
101.06012	3.8
103.91443	1.9
105.07023	41.4
107.08591	61.8
108.08889	2.4
109.06516	4.1
109.10150	40.3
110.36847	1.9
111.08088	3.1
113.06023	2.5
115.07561	7.0
117.07011	8.0
119.08582	51.7
121.06527	2.6
121.10135	48.2
121.10978	3.5
122.10495	2.5
123.08081	5.4
123.11692	18.5
123.99921	1.9
125.09587	2.0
128.06216	3.4
129.06996	7.4
131.08565	30.4
133.10120	36.6
134.10483	2.1
135.08044	5.7
135.11682	29.9
137.09605	3.7
137.13278	8.4
141.09143	2.3
142.07774	3.5
143.08563	12.3
144.09349	2.5
145.10110	33.1
146.10565	2.1
147.08116	2.6
147.11673	30.4
149.09639	4.1
149.13243	22.1
153.09091	3.1
155.08585	2.9
157.10158	11.4
159.11688	25.0
161.09607	4.4
161.13225	26.3
163.11119	2.1
163.14804	14.1
167.10706	5.2
169.10179	6.2
171.11682	19.8
173.13248	24.1
174.13524	1.8
175.14838	22.6
177.12744	3.1
177.16408	8.0
179.14186	3.1
181.12227	3.2
183.11742	5.0
185.13264	15.5
187.14798	26.3
188.15263	3.0
189.16359	24.2
191.14342	2.7
191.17969	5.5
193.15883	2.7
195.13905	3.6
197.13222	3.5
199.14795	16.5
200.15114	2.6
201.16379	17.6
202.16658	2.3
203.14302	5.1
203.17952	16.4
205.15965	4.1
205.19495	3.7
207.13780	3.0
207.17464	2.3
211.14752	3.2
213.16362	30.5
214.17097	4.0
215.14314	3.3
215.17924	29.0
217.16023	2.6
217.19487	9.2
219.13774	3.3
223.16997	2.4
225.16333	3.7
227.17993	5.1
229.19482	23.8
231.17462	2.4
231.21036	2.8
235.16946	3.7
239.17976	2.4
241.19527	10.6
243.21117	4.4
249.18579	3.4
255.21062	12.7
257.22626	2.6
261.18637	2.2
269.22662	4.4
279.23276	4.1
339.22827	2.5
355.26407	4.3
369.27902	3.1
379.33496	3.2
407.33170	11.6
425.34155	100.0
426.34692	12.7
432.79498	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.2
55.01857	3.0
55.05504	22.9
57.03433	2.2
57.07071	10.0
59.04973	2.1
62.05426	1.9
65.03907	3.7
67.05500	36.9
69.03394	1.9
69.07063	33.9
69.51028	7.4
69.51440	3.8
70.07359	2.7
71.04952	5.2
71.08611	4.4
71.92361	1.5
79.05485	24.7
81.07055	82.6
83.04947	3.5
83.08615	18.0
85.06510	3.6
91.05467	26.2
93.07036	62.7
94.07319	2.2
95.04930	6.2
95.08600	100.0
96.08879	2.3
97.06470	6.5
97.10104	5.8
99.08043	3.3
104.07050	2.1
105.06370	3.3
105.07023	57.1
105.07717	4.2
107.04878	3.3
107.08587	92.2
109.06497	8.5
109.10147	66.1
110.10418	3.3
111.08034	6.3
111.11662	3.4
117.07014	10.6
119.08570	75.9
120.08859	3.4
121.06544	3.6
121.10135	66.6
123.08076	9.0
123.11694	37.0
125.09591	4.4
128.06181	2.9
129.06918	5.9
131.08542	19.5
132.08852	2.2
133.06425	2.1
133.10121	60.9
134.10344	2.2
135.08070	11.7
135.11681	59.5
136.11967	2.6
137.09526	5.2
137.13263	13.0
139.11124	3.4
141.06914	2.6
142.07693	2.5
143.08556	12.4
144.09334	3.0
145.10095	27.6
146.10715	1.9
147.07973	8.9
147.11687	38.1
149.09535	5.3
149.13264	25.1
151.11142	5.4
151.14760	3.2
153.08911	2.1
153.12749	2.8
155.08527	4.4
155.32755	1.8
157.10147	16.8
158.10789	2.1
159.11682	27.2
160.12030	2.3
161.09537	5.9
161.12131	2.3
161.13255	35.7
163.11104	4.7
163.13475	2.3
163.14803	21.8
165.12720	2.9
169.10033	7.6
170.10832	2.9
171.11639	12.2
172.12292	2.6
173.13223	20.0
175.11189	3.3
175.14828	22.8
177.12660	2.9
177.16396	15.2
179.14214	6.1
182.10820	2.2
183.11594	8.1
185.13248	17.9
187.13385	2.2
187.14781	18.5
189.12627	5.9
189.16376	31.0
190.16777	3.3
191.14243	4.3
191.16559	2.0
191.17923	21.5
193.08380	2.1
193.15724	3.1
195.11705	2.6
197.13133	7.6
199.14790	13.0
201.16431	20.1
203.14301	31.7
203.16133	3.0
203.17955	32.7
204.14578	3.5
204.18359	3.4
205.15781	7.3
205.19397	6.7
207.17470	13.8
209.13152	2.7
211.14679	5.8
213.16336	8.8
215.14198	3.6
215.17923	12.7
217.15695	6.9
217.19493	35.0
219.17316	4.5
223.14674	2.1
225.16214	5.5
227.17775	6.8
229.15753	2.7
229.19351	7.4
231.17334	4.8
231.20961	3.1
233.18800	3.6
235.16734	4.5
235.20273	1.8
239.17857	3.4
241.19389	5.6
243.20912	6.7
245.19023	2.4
245.22488	4.6
253.19534	11.2
255.20901	5.7
257.22464	4.8
259.20477	2.5
267.20969	4.6
269.18918	2.7
269.22327	4.0
271.20370	7.2
271.23630	2.3
273.21951	3.9
275.20078	2.4
281.22507	2.8
283.20316	5.0
283.23666	2.4
289.21368	3.9
301.21280	3.5
323.25793	2.3
379.33459	2.6
389.31537	7.4
407.21973	3.1
407.32779	26.9
407.36884	4.4
408.33096	3.1
425.22440	6.2
425.33664	95.3
426.34119	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	425.3407
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
53.03936	0.9
55.05509	3.0
57.07064	1.2
67.05502	5.1
68.08787	0.8
69.03383	0.8
69.07055	6.2
69.16604	3.2
69.17024	4.4
79.05478	2.9
80.53306	0.7
81.07053	11.3
83.04993	1.1
83.08607	3.2
89.06011	0.8
91.05484	3.9
92.11715	0.7
93.07034	6.4
95.08608	14.9
105.07030	9.8
107.08592	13.2
109.06474	1.1
109.10138	8.1
117.07028	1.3
119.08554	9.1
121.10154	10.7
123.11701	4.6
129.06985	1.5
131.08546	2.8
133.10133	6.3
134.10492	0.8
135.08087	1.2
135.11676	7.3
137.13255	1.7
141.06949	1.1
143.08569	2.9
145.10081	4.1
147.11722	3.9
149.09564	1.4
149.13217	4.1
157.10153	2.4
159.11700	5.5
161.09630	3.4
161.13246	2.2
163.11220	1.5
163.14867	4.0
171.11650	3.1
173.09642	0.9
173.13260	2.8
175.14787	5.0
177.16339	5.8
183.11636	1.1
185.13287	1.1
187.11307	1.1
187.14828	2.6
189.12828	4.0
189.16373	3.6
191.17941	1.2
199.14799	2.2
201.16383	2.0
203.14516	1.3
205.15881	1.4
211.14856	1.5
213.16431	0.9
215.14384	1.8
215.18010	1.2
217.15857	2.3
219.17354	0.9
229.19521	1.5
231.17331	1.5
243.21136	2.3
257.18979	1.1
271.20547	3.6
275.20053	2.1
383.33282	1.0
407.18341	1.0
407.33163	3.2
425.34119	100.0
426.34448	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	425.3411
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
53.03941	1.3
54.69519	1.2
55.05508	13.7
57.07073	7.0
65.60503	1.3
67.05499	13.8
69.07062	22.5
69.11710	10.7
69.12128	2.7
69.59795	1.2
71.08636	3.0
72.33280	1.4
79.05502	9.7
81.07055	31.1
82.07407	1.6
83.08616	14.2
85.06530	2.7
91.05466	10.5
93.07033	26.0
95.04971	1.7
95.08601	41.7
97.06503	3.3
97.10178	11.6
99.04449	1.7
99.08081	1.3
101.06012	1.9
105.07022	25.2
107.08585	38.0
108.08960	1.9
109.06520	1.8
109.10153	28.7
110.10490	2.2
111.08090	2.7
111.11700	2.2
115.07586	3.7
117.07019	3.8
119.08569	32.2
119.87843	1.3
120.08877	2.3
120.93464	1.3
121.10140	34.9
121.10983	2.9
123.08070	2.7
123.11678	10.7
125.09587	2.0
128.06192	1.5
129.06998	2.4
131.08563	12.4
133.10124	25.6
134.10548	1.4
135.08022	3.7
135.11687	19.2
136.05460	1.5
137.09560	2.9
137.13280	5.6
143.08553	8.3
143.10641	2.3
145.10118	21.8
146.10419	1.6
147.07999	2.4
147.11682	18.8
149.09634	4.2
149.13234	23.4
151.11192	2.9
153.09102	2.8
157.10135	8.1
159.11703	14.8
161.09645	2.1
161.13216	10.1
163.11151	3.3
163.14810	28.7
165.09196	1.5
167.10687	4.2
169.10049	1.4
171.11697	5.9
173.13271	13.7
175.11229	2.3
175.14812	23.6
176.15129	1.6
177.16396	18.9
179.10683	2.4
181.12263	2.3
183.11684	1.5
185.09663	1.7
185.13235	5.0
187.14807	37.2
188.15150	2.2
189.12769	3.9
189.16359	28.6
190.16737	1.9
191.14313	1.6
191.17947	5.9
193.12303	2.0
195.13834	3.4
197.13306	2.2
199.14803	7.6
201.12758	2.0
201.16373	22.0
203.14360	2.2
203.17981	14.8
205.15869	2.7
205.19440	1.5
211.14784	3.3
213.16339	9.6
215.17953	9.8
217.15945	2.4
217.19498	3.9
219.13913	1.9
223.16896	2.7
227.17975	6.6
229.19551	4.0
231.21112	1.7
235.16882	2.0
239.17937	2.7
241.19460	5.0
243.21036	3.1
247.17065	1.7
249.18518	5.1
253.19548	2.8
255.21051	2.5
257.22589	1.8
269.22672	2.3
271.20654	2.9
275.20047	3.9
283.24127	4.5
289.21548	1.6
297.25702	2.5
301.21750	5.4
326.87674	1.5
337.25150	1.7
352.55988	1.6
355.26251	2.9
379.33908	2.2
407.33099	6.0
425.34088	100.0
426.34406	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	425.3777
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.1
55.05510	17.5
57.03421	1.2
57.07071	6.5
65.03931	2.2
67.05503	26.1
69.03426	1.1
69.07066	33.7
69.12879	7.6
71.04967	1.2
71.08615	2.6
71.15570	0.8
77.03901	1.1
79.05488	21.3
81.07051	58.5
82.07375	1.3
83.08170	1.2
83.08620	14.5
85.06542	1.9
91.05475	24.5
92.05775	1.6
93.07039	47.8
94.07372	1.3
95.04978	2.9
95.08602	100.0
96.08938	3.7
97.06521	3.8
97.10183	8.3
99.08086	1.4
105.07027	52.9
106.07365	2.6
107.08588	80.3
108.08919	2.8
109.06509	2.5
109.10152	65.0
110.10469	2.2
111.08070	6.8
111.11733	5.1
117.07018	4.6
119.08576	72.5
120.08885	2.4
121.06497	2.7
121.10139	66.0
122.10493	3.5
123.08060	6.8
123.11700	27.4
123.12603	1.2
125.09612	3.1
129.07010	2.8
131.08556	12.1
133.10123	60.1
134.10492	3.2
135.08109	4.3
135.11685	47.4
135.12747	1.7
137.09636	4.4
137.13261	7.7
139.11148	1.3
141.06940	0.9
143.08562	5.3
145.10121	20.5
146.10477	1.2
147.08046	2.4
147.11676	47.7
148.12016	2.0
149.09587	2.5
149.13257	22.9
150.13655	1.2
151.11169	2.9
151.14793	2.6
153.12755	1.0
155.08617	1.1
157.10109	8.6
158.10826	1.2
159.11681	16.9
160.12367	1.6
161.09624	3.2
161.13249	32.5
162.13672	1.3
163.11142	3.2
163.14809	24.1
165.12717	1.6
169.10118	1.5
171.11665	6.3
173.13260	11.7
174.13884	1.4
175.11186	2.5
175.14810	22.3
176.15228	1.1
177.12747	2.7
177.16380	23.1
178.16620	1.3
179.14348	4.9
181.10120	1.2
183.11662	3.3
185.13251	4.8
187.14825	13.5
188.15367	1.2
189.12766	2.6
189.16374	53.6
190.16757	3.8
191.14305	5.0
191.17943	23.9
192.18285	2.7
197.13197	1.3
199.14790	5.9
201.12732	1.2
201.16379	13.7
202.16750	1.3
203.14261	2.8
203.17944	48.7
204.18314	3.5
205.15866	3.9
205.19504	9.0
207.17424	6.2
208.18065	0.8
211.14838	0.9
211.99205	0.9
212.15317	1.0
213.16365	3.7
214.17017	1.1
215.14412	1.1
215.17969	8.5
216.18242	0.9
217.15936	2.5
217.19507	29.9
218.19701	1.1
219.17430	1.2
219.21022	2.6
221.15546	1.1
221.18924	2.4
225.16406	1.4
227.17941	3.6
229.15833	1.1
229.19417	5.5
231.17570	1.8
231.21060	3.3
233.18962	1.6
235.16884	1.8
239.17995	2.0
241.19502	2.8
243.17535	2.0
243.21059	3.8
245.19032	1.6
245.22507	5.0
249.18411	2.1
253.19524	1.2
255.21037	3.5
257.19226	1.1
257.22620	5.1
259.24216	1.4
267.21375	1.0
269.19055	1.3
269.22662	2.5
271.20779	2.0
271.24072	2.0
272.23892	1.1
273.22107	1.0
275.20047	2.4
283.24292	1.1
285.22070	1.0
285.25592	1.2
297.25888	1.6
301.21536	1.6
323.27332	1.3
379.33902	1.3
389.31671	1.2
395.32861	3.0
407.31967	5.1
407.37607	6.7
425.33527	74.1
425.38489	13.8
426.33926	11.0
426.39572	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.3
55.05515	25.8
57.07077	14.9
61.89331	1.8
62.43810	1.7
67.05502	38.8
69.03417	3.1
69.06696	3.1
69.07067	58.9
69.12613	18.3
69.25934	1.6
71.04992	4.2
71.08625	3.6
79.05494	24.6
81.07050	76.8
82.07365	3.6
83.04967	3.2
83.08605	22.3
85.06546	26.4
85.10175	2.4
91.05463	18.6
91.06813	1.7
93.07041	46.8
94.07390	3.1
94.74310	1.7
95.04965	3.3
95.08603	100.0
96.08927	4.8
97.06528	5.3
97.10155	8.1
99.08099	3.8
105.07027	37.5
106.07350	2.3
107.08586	69.6
108.08896	3.0
108.91390	2.1
109.06513	4.6
109.10152	72.1
110.10482	3.1
111.08068	5.3
111.11688	5.0
113.09635	6.5
115.05434	1.7
117.06999	5.5
119.08575	51.1
120.08837	2.2
121.10143	51.6
121.10970	4.0
123.08028	3.5
123.11694	31.8
125.09642	3.5
127.11187	2.9
129.06976	3.7
131.08563	17.5
133.10127	35.6
135.08076	4.4
135.11678	39.7
137.09564	3.8
137.13266	18.0
139.11162	3.9
142.07750	2.0
143.07004	2.1
143.08546	5.3
145.10106	28.9
147.08032	12.4
147.11674	34.1
149.13243	28.7
151.11163	2.0
151.14795	3.5
153.12726	2.6
157.10130	10.4
159.08025	2.3
159.11690	25.5
161.13281	24.1
163.11147	2.5
163.14784	21.1
164.15060	1.8
169.10138	2.7
171.11678	12.0
173.13281	18.8
174.13657	2.2
175.11176	2.6
175.14809	17.0
177.12845	2.7
177.16385	12.9
179.14297	4.4
179.17961	1.9
182.21599	1.9
183.11659	3.8
185.13246	8.8
187.14784	17.1
189.12717	2.6
189.16335	17.9
191.14441	2.4
191.17915	10.1
195.11649	2.3
195.17366	3.0
197.13356	3.0
199.14742	9.6
201.12787	3.2
201.16299	11.9
203.14267	12.8
203.17891	14.8
205.15829	5.2
205.19534	3.8
207.17435	2.5
211.14828	2.8
213.16405	8.8
215.17822	11.8
217.15897	3.7
217.19511	5.6
219.17491	3.8
225.16473	2.8
227.17938	5.8
229.15935	2.7
229.19521	12.1
231.21024	3.1
241.19472	4.3
243.21126	5.1
245.22679	5.4
253.19547	2.6
255.21132	5.1
257.22614	7.1
259.24289	4.8
269.22702	6.4
271.20721	2.0
271.24130	8.0
283.24094	7.4
285.25681	4.3
301.25293	3.0
303.95929	2.1
311.27277	3.8
325.29001	2.0
339.30438	2.7
341.28430	2.8
369.31613	2.6
407.32733	8.4
407.36752	11.1
425.21408	5.2
425.32834	34.4
425.37833	42.9
426.37991	8.8
432.55972	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3776
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57248	2.0
52.74214	1.8
55.01846	2.2
55.05509	27.5
57.07076	18.3
62.76476	2.1
65.03961	2.6
66.12823	2.0
67.05503	40.6
69.03436	3.5
69.07067	63.1
69.25481	10.0
69.25886	5.3
71.04986	12.0
71.08617	6.4
79.05493	22.4
81.07053	95.1
82.07398	2.2
83.04993	3.0
83.08605	27.3
85.06538	6.1
85.10165	5.2
91.05480	19.8
93.07041	53.9
94.07397	2.1
95.08601	100.0
97.06563	3.9
97.10161	17.0
98.22626	4.2
99.08097	5.5
99.09063	2.2
105.07018	48.3
107.08589	79.4
108.08910	3.4
109.06503	2.8
109.10153	82.9
110.10489	2.6
111.08065	2.7
111.11713	7.4
117.07005	7.6
119.08570	54.3
120.08907	4.1
121.06470	2.7
121.09256	3.3
121.10139	66.9
122.10508	3.2
123.08071	3.2
123.11700	41.5
125.09602	7.2
127.11200	13.2
129.06976	5.5
131.08553	18.3
132.32167	1.8
133.10118	55.6
135.08076	3.4
135.11691	44.2
136.12029	2.6
137.09641	3.9
137.13252	16.1
143.08569	8.4
143.52441	2.0
145.10106	30.0
147.08028	3.1
147.11667	38.7
148.11897	3.4
149.13251	40.3
149.17896	2.0
150.13597	3.5
151.11195	2.9
151.14853	3.6
153.09064	2.1
153.12740	3.8
155.08566	3.7
157.10075	15.2
159.11670	30.1
160.12088	2.7
161.09592	2.7
161.13254	34.9
163.14801	21.1
169.10124	4.4
171.11667	10.2
173.13254	25.4
174.13643	2.4
175.14803	22.7
177.16399	16.6
183.11670	7.8
185.13246	13.5
187.14833	17.9
189.11214	2.5
189.16362	20.5
191.17964	16.9
193.15965	2.1
197.13254	5.6
199.14848	11.0
201.16409	19.6
203.14333	3.6
203.17915	24.4
205.15964	2.7
205.19536	5.7
211.14833	4.2
213.16388	9.5
215.17928	16.3
217.15906	3.9
217.19463	24.2
218.19795	2.1
225.16435	4.0
227.17915	5.4
228.18611	2.4
229.19534	9.9
231.21072	7.7
233.19084	2.7
239.18007	5.9
241.19473	2.9
243.20988	3.6
245.19031	2.4
255.21111	2.2
257.22601	7.4
259.24136	3.1
269.22546	3.6
271.24356	2.5
283.24283	3.6
285.18396	3.1
285.25760	5.2
296.88141	2.5
297.25616	3.2
301.25528	2.7
323.27222	3.1
339.30405	7.1
343.29968	3.5
365.19135	2.5
379.33496	5.6
391.29910	9.3
407.32361	12.4
407.37390	4.4
425.21313	5.7
425.33453	28.6
425.37808	51.6
426.33463	3.9
426.38983	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	425.3774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.5
55.05505	16.0
57.07064	7.1
67.05498	35.5
69.07063	28.5
69.60686	11.9
75.66557	2.6
79.05486	16.1
81.07047	66.9
82.07393	2.1
83.08611	10.7
91.05469	17.2
93.07043	49.0
95.08600	100.0
96.08946	3.9
97.06545	6.5
97.10147	7.9
105.07019	40.1
107.08588	77.4
109.10154	73.0
109.10891	4.6
110.10497	5.9
111.08087	2.6
111.11701	5.0
117.06965	3.7
119.08571	45.5
119.09401	3.0
121.09260	3.7
121.10139	58.1
123.11700	33.0
125.09609	3.5
127.11184	4.0
129.07031	2.2
131.08568	8.2
133.10127	33.3
135.08070	2.0
135.11685	42.8
137.13240	15.9
139.03458	2.0
145.10110	14.0
147.11661	31.2
149.13263	27.8
150.00139	2.0
151.14804	2.7
157.10081	2.9
159.11702	13.1
161.13266	26.9
163.14795	22.2
169.63109	1.9
173.13199	13.6
175.14857	15.6
177.16418	11.0
179.14285	7.5
179.61488	2.0
185.13283	2.9
187.14810	8.7
189.16379	32.0
191.17923	40.0
192.18285	3.6
199.14853	2.1
201.16345	12.3
201.71533	1.9
203.17918	26.8
205.15865	3.3
205.19508	10.1
207.17473	5.0
214.47250	2.1
215.17856	9.7
217.19502	28.4
219.21082	3.2
229.19531	3.4
231.21181	2.3
233.19069	4.5
235.20547	2.1
243.20979	3.0
245.22682	4.9
257.22626	3.4
259.24237	2.7
271.24374	3.4
299.27390	2.4
341.32156	2.4
352.77054	2.0
407.37137	10.7
425.33276	10.5
425.38565	40.1
426.38199	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	425.3774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.0
55.05507	19.9
56.96586	0.9
57.03430	1.0
57.07077	7.5
63.18692	0.8
65.03950	2.6
67.05502	38.0
69.03435	2.2
69.07065	34.6
71.05015	1.6
71.08631	2.5
77.03925	1.1
79.05490	21.6
79.48740	0.8
81.07054	67.8
82.07407	2.3
83.08615	16.9
85.06551	1.9
85.10174	1.2
90.78374	0.7
91.05477	17.2
93.07043	52.4
94.07374	1.8
95.04964	2.1
95.08603	100.0
96.08956	2.8
97.06512	5.9
97.10162	9.0
99.08092	1.1
103.05512	1.3
105.04515	1.3
105.07023	42.9
107.04946	0.9
107.08588	73.3
108.08924	2.4
109.06541	3.1
109.10153	72.4
110.10511	2.6
111.08076	4.2
111.11720	4.9
115.05431	0.9
117.07008	5.8
117.07691	0.9
119.08578	45.7
120.08924	1.2
121.06538	1.3
121.10143	58.8
122.10460	2.1
123.08064	4.4
123.10793	1.3
123.11700	27.7
124.12026	1.5
125.09604	4.6
125.13280	1.1
127.11198	3.0
129.06992	2.7
131.08568	12.1
133.10123	34.1
134.10582	1.1
135.08087	3.5
135.11690	45.0
136.12029	1.9
137.09610	2.2
137.13252	14.6
139.11169	1.5
141.07063	1.0
141.12717	0.8
142.07834	1.3
143.08556	4.3
144.09338	1.8
145.10120	16.0
146.10432	0.9
147.11682	35.1
148.12068	1.2
149.09633	1.6
149.13248	30.1
150.13588	1.7
151.11234	1.4
151.14836	2.4
153.12775	1.6
155.08640	1.2
155.14268	1.7
157.10118	6.3
158.10869	1.3
159.11688	18.6
160.12265	1.4
161.09555	2.0
161.13255	26.5
162.13689	1.0
163.11220	1.5
163.14812	20.3
165.12814	3.1
169.10167	1.3
171.11684	5.5
172.12408	0.9
173.13243	13.8
175.11261	1.9
175.14804	18.7
175.16179	1.4
176.15192	1.0
177.16396	9.6
179.14291	5.2
183.11667	2.0
184.12331	1.0
185.13298	5.6
187.14839	11.5
189.12692	2.0
189.16376	22.4
189.17981	1.3
190.16748	1.6
191.17932	30.8
192.18356	1.5
193.15881	2.0
195.11748	1.1
197.13255	2.1
199.14771	5.6
201.16360	11.9
203.14319	3.3
203.17940	23.5
204.18346	1.3
205.15938	3.4
205.19493	7.3
207.17435	4.1
209.10080	0.9
209.13187	1.2
211.14890	1.6
213.16420	3.9
215.14401	1.4
215.17934	10.2
216.18146	1.2
217.16068	2.3
217.19504	25.0
218.19908	1.0
219.17473	3.0
219.21141	2.9
221.19031	2.9
225.16283	1.6
227.17999	2.7
229.19402	4.3
231.17332	1.0
231.21118	3.3
233.19087	4.1
235.20616	4.2
237.16400	1.0
239.17809	1.0
241.19547	3.0
243.21066	3.7
245.19043	1.5
245.22691	2.8
253.19431	1.5
255.21021	3.2
257.22641	3.3
259.24292	1.2
261.22009	1.1
267.21118	1.4
269.22708	2.6
271.20782	1.0
271.24176	2.6
279.23373	1.4
281.22656	1.5
285.21945	0.9
285.25491	1.1
297.25702	1.9
299.27271	1.4
301.25223	1.1
322.30783	1.0
341.31958	1.2
350.54498	0.8
379.33694	1.4
389.31982	1.9
407.32275	7.5
407.37756	6.9
425.33481	11.1
425.38745	28.4
426.38214	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	425.3776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.7
55.01879	1.6
55.05503	18.0
55.84403	1.2
57.03421	1.9
57.07074	7.7
65.03924	1.8
67.05502	35.6
68.05820	1.4
69.03437	3.1
69.07064	29.1
71.04980	1.6
71.08648	1.6
79.05486	23.0
81.03405	1.8
81.07050	70.8
82.07349	1.8
83.04971	2.3
83.08612	14.0
85.06528	2.0
91.05479	20.7
93.07040	48.7
94.07345	1.4
95.04962	2.0
95.08601	100.0
96.08911	3.4
97.06522	8.4
97.10159	9.0
98.22497	2.4
99.08090	2.9
105.07020	43.1
106.07337	1.8
107.04969	1.2
107.08590	77.0
108.08924	3.4
109.06536	3.2
109.10147	69.2
109.25592	1.1
110.10479	1.9
111.08111	5.8
111.11714	3.2
117.07017	5.0
119.08576	51.2
119.09410	2.5
120.08964	2.0
121.06516	2.7
121.10139	58.8
122.10490	3.8
123.08079	4.9
123.10860	2.4
123.11697	31.7
125.09616	6.6
125.13263	1.8
127.11211	3.4
127.87775	1.5
128.06224	1.8
129.07051	2.7
131.08563	12.2
133.09152	2.7
133.10120	38.1
134.10428	2.1
135.08031	2.9
135.11688	46.0
136.12010	2.0
137.09583	1.7
137.13242	19.4
139.11176	2.1
141.06973	1.1
143.08542	4.7
144.09337	1.3
145.10114	18.7
147.08061	1.9
147.11678	34.4
148.11998	1.9
149.09631	1.5
149.13252	31.8
150.13641	1.5
151.11124	2.0
151.14809	3.8
151.16010	1.1
155.08543	2.1
157.10121	7.2
159.11691	18.5
160.12032	1.9
161.09628	3.6
161.13246	27.6
161.14503	1.9
162.13649	2.2
163.11218	2.9
163.13428	2.6
163.14799	25.9
164.15154	2.4
165.12708	2.1
165.16238	1.1
169.10127	3.5
171.11719	4.6
173.09677	1.5
173.13260	11.9
175.11136	1.4
175.14806	16.2
177.12772	2.7
177.16370	13.3
179.14284	7.0
183.11649	3.1
185.13210	6.3
187.14818	15.5
188.15186	1.7
189.12703	2.3
189.16370	29.7
190.16722	1.9
191.10530	1.3
191.14296	4.4
191.17923	42.4
192.18292	3.2
193.15973	1.7
197.13361	1.2
199.14774	7.4
201.12761	2.0
201.16400	13.3
202.16791	1.5
203.14348	9.2
203.17937	29.4
205.15900	11.3
205.17531	1.7
205.17874	1.5
205.19501	11.9
207.17436	9.1
211.14781	1.8
213.16402	4.8
215.17964	8.5
216.18260	1.3
217.15929	4.7
217.19501	29.9
218.19797	2.1
219.17445	3.3
219.21130	4.3
221.18962	2.5
225.16277	1.9
227.17892	3.3
229.19452	5.7
231.17494	1.6
231.21068	2.6
233.18973	4.3
235.20526	1.4
237.16235	1.5
237.36200	1.3
241.15901	1.4
241.19453	1.9
243.21060	2.8
245.19008	1.2
245.22665	4.1
255.21027	1.8
257.22614	4.5
259.24319	1.9
261.21957	1.2
269.18924	1.6
269.22659	1.9
279.23364	1.4
283.24203	1.1
297.25555	1.6
339.30222	1.4
369.31479	1.3
389.31943	2.8
407.32239	5.6
407.37521	9.9
425.29959	2.9
425.33246	19.5
425.37854	25.1
426.33920	1.9
426.38309	4.0
436.56616	1.4
436.67297	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.2
55.05517	22.6
57.07069	24.7
60.21954	2.7
67.05502	36.5
69.07066	46.1
69.79467	4.6
69.79878	11.3
71.04996	8.4
71.08622	5.4
79.05494	25.2
81.07053	83.6
83.08617	21.0
89.06049	4.3
91.05482	18.2
91.73582	2.6
93.07043	53.1
93.07588	4.5
95.04982	5.0
95.08598	90.8
97.06516	3.9
97.10169	9.4
98.23294	4.3
105.07038	41.2
107.08589	75.2
109.06522	4.4
109.10155	70.6
111.08084	3.1
111.11706	7.6
117.06995	4.2
119.08572	41.5
121.06525	2.9
121.10142	100.0
123.08080	4.0
123.11702	41.4
125.09649	4.6
125.92284	3.5
129.06950	5.7
131.08597	11.3
133.10133	34.2
135.11685	46.8
137.13260	15.9
143.08577	4.3
145.10097	16.4
147.11658	27.4
149.09608	3.4
149.13255	32.9
157.10153	7.6
159.11702	21.5
161.13263	24.5
163.14841	13.4
171.11748	3.8
173.13274	11.0
175.14828	28.8
177.16364	19.0
185.13280	8.0
187.14867	16.4
189.16331	18.1
191.18005	8.7
199.14775	5.0
201.16382	11.2
203.14278	5.7
203.17957	14.2
205.19537	3.9
213.16449	4.2
215.17967	10.4
217.19545	13.3
219.17531	3.6
229.19594	13.2
231.21082	18.6
239.15256	3.2
243.21086	4.0
245.15198	3.9
255.21034	3.4
257.22659	6.6
259.24216	5.5
271.24210	3.1
285.25699	5.7
297.25671	3.2
327.26804	7.2
355.29916	14.4
369.31308	3.9
375.24130	3.4
407.37250	14.2
425.21268	3.5
425.32782	40.2
425.37854	39.7
426.33688	4.7
426.38644	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	425.3777
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	4.6
55.05516	30.7
57.07080	9.2
58.38981	3.3
67.05504	30.2
69.06710	5.4
69.07069	60.5
70.31525	12.0
71.05005	5.6
73.85185	3.3
79.05493	26.4
81.07057	96.9
83.08622	19.6
91.05488	18.9
93.07052	59.9
95.08607	100.0
96.08933	4.2
96.33443	3.4
97.06529	4.3
97.10168	8.6
102.49285	3.6
105.07030	40.7
107.08603	66.4
108.08934	3.5
109.06563	3.7
109.10155	70.8
111.11698	8.2
117.07001	3.9
119.08584	49.5
121.10143	66.0
123.11729	31.3
125.09639	7.6
127.11192	6.9
131.08589	12.1
133.10139	29.3
135.11694	39.6
137.13248	15.7
139.11180	5.2
143.08591	5.4
145.10124	17.1
147.11671	32.7
149.13266	39.0
151.14796	4.0
157.10016	7.0
159.11694	24.5
161.13258	25.5
163.14806	14.8
172.12436	5.4
172.42258	4.1
173.13249	12.0
175.14790	19.6
177.16359	20.0
185.13268	7.1
187.14787	13.0
189.16399	21.7
191.17947	9.8
195.17317	4.6
201.16446	12.1
203.17967	19.4
213.16328	5.6
215.17947	12.9
217.19553	16.8
221.15413	3.8
227.17987	4.1
229.19611	11.2
231.20958	7.3
243.20979	4.8
257.22583	6.4
271.24243	10.1
283.24146	4.0
285.25739	4.3
311.27325	5.3
337.35651	3.6
407.36783	10.0
425.20944	5.5
425.32895	8.7
425.38330	48.2
439.91345	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	425.3776
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
52.56364	1.3
55.05496	7.8
57.07070	4.3
67.05497	16.3
69.07069	18.0
69.11514	15.1
78.07198	1.4
79.05496	5.1
81.07057	35.9
83.08633	6.7
86.52989	1.6
91.05481	5.2
93.07050	21.2
95.08606	65.5
96.97541	1.5
97.06523	2.7
97.10194	5.3
98.22615	3.8
100.56863	1.7
103.66402	1.5
105.07035	11.6
107.08588	35.5
107.40060	1.8
109.10154	50.9
109.49463	1.6
110.10485	1.8
111.08107	2.0
111.11716	7.6
119.08585	24.6
121.10141	31.9
123.08081	2.0
123.11713	21.5
131.08557	4.8
133.10129	16.6
135.11697	23.8
137.13261	17.0
145.10149	6.5
147.11676	10.7
149.13251	15.0
151.14861	3.3
159.11702	7.9
161.13248	10.2
163.14784	12.1
171.11720	2.0
173.13226	8.2
175.14880	8.3
177.16389	8.3
179.14349	4.1
185.13370	2.5
187.14850	6.5
189.16393	11.5
191.17915	19.1
192.18233	2.4
201.16409	8.6
203.17944	10.4
205.19524	8.1
207.17445	2.6
215.17958	9.7
217.19510	10.6
219.17430	2.7
219.21153	2.5
229.19519	4.9
231.21129	3.8
233.18962	4.3
241.19514	2.1
243.21144	7.2
245.22620	8.3
247.20605	15.2
255.21082	3.6
257.22571	3.9
259.24283	3.3
261.22311	2.8
269.22754	2.5
271.24286	5.0
283.24106	2.4
285.25797	2.6
297.26056	2.1
301.25269	2.3
329.28296	2.1
407.36679	18.0
408.36884	2.7
425.37875	100.0
426.38391	13.1
442.30475	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	3.2
55.05511	32.6
57.07082	15.9
61.17697	2.5
67.05499	42.8
67.25083	2.8
69.03396	3.6
69.07064	57.5
69.42452	18.3
70.07382	2.9
71.04980	7.1
71.08617	3.6
74.84530	3.0
79.05485	31.2
81.07051	82.7
83.04987	3.1
83.08618	36.8
83.86393	2.7
85.06546	19.8
85.10173	3.3
89.06023	4.4
91.05470	28.7
93.07041	57.0
95.04987	3.3
95.08010	6.5
95.08601	100.0
96.08961	5.6
96.41965	2.6
97.06521	5.4
97.10178	19.1
98.22643	6.1
99.04427	3.1
99.08081	3.3
105.07027	52.2
105.41718	2.7
107.07903	5.4
107.08590	72.6
109.06494	4.5
109.10150	67.5
111.08047	7.4
111.11715	6.9
117.07015	8.0
119.08577	62.7
120.08870	3.3
121.06457	3.1
121.10139	56.3
122.10535	3.0
123.08070	8.2
123.11690	27.0
125.09609	7.5
129.07028	7.5
129.09091	6.5
131.08533	18.0
133.10120	37.2
134.10435	5.8
135.08052	24.7
135.11681	46.6
136.12044	4.9
137.09651	4.9
137.13211	15.3
143.08534	13.1
144.64278	2.8
145.10114	33.8
145.97203	3.1
147.08034	37.6
147.11671	32.9
148.12024	5.2
149.13245	25.4
150.50458	2.8
151.11186	3.2
151.14853	5.6
155.08525	4.6
157.10066	19.3
159.11682	30.5
160.11890	3.3
161.09628	8.7
161.13223	20.7
163.14816	16.6
170.10918	3.5
171.11682	14.5
173.13249	19.6
175.11104	3.8
175.14841	16.4
177.12779	3.4
177.16376	8.6
179.14291	8.4
183.11653	3.4
185.13240	14.0
187.14825	19.5
189.12720	6.1
189.16434	15.9
191.17940	8.1
197.13103	2.8
199.14807	10.4
201.16362	12.3
203.14313	66.4
203.17952	12.7
204.14702	4.8
205.15871	4.7
205.19606	3.4
211.14655	3.8
213.16373	11.8
215.17961	11.9
217.15857	6.8
217.19453	9.6
227.17940	8.4
229.19484	10.5
240.15298	3.0
241.19382	7.3
243.21074	5.5
255.20969	4.7
269.22610	5.2
283.24066	4.0
365.19281	3.8
407.32834	10.1
425.21408	13.0
425.34222	89.1
426.34445	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	426.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	7.1
69.03416	3.8
69.07064	4.0
71.32932	3.8
73.17963	2.2
77.11579	1.9
79.05460	2.6
81.07056	21.4
83.04948	2.6
83.08601	3.1
83.54248	2.0
84.53085	1.9
85.02909	4.0
91.05497	2.7
93.07034	7.0
95.08593	8.9
97.02882	2.3
97.06553	2.8
105.07044	19.8
107.08588	12.8
109.06476	2.1
109.10150	3.7
111.04383	2.3
119.08616	9.3
121.10135	13.6
123.04385	1.8
123.11701	57.6
126.03136	4.8
127.07558	2.4
137.05977	2.1
137.13243	6.5
147.11682	49.2
148.12041	3.7
148.97017	1.9
165.12758	52.8
175.11203	3.6
183.13803	16.5
189.01860	5.2
190.02692	1.8
193.12238	24.0
193.38644	1.9
211.13332	17.5
229.14346	100.0
230.14662	5.8
246.01672	2.7
247.15388	12.0
273.00290	4.9
300.99728	7.9
302.00665	18.0
303.01239	9.7
427.02982	17.7
427.16141	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	426.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.4
56.80986	1.1
57.03434	11.4
61.02928	1.6
69.03422	2.4
69.24609	1.1
69.33080	4.8
69.33494	3.4
69.48843	1.2
71.04996	71.1
72.05309	1.2
73.15568	1.0
75.04482	4.5
81.03436	1.5
83.04979	9.8
83.08613	1.3
85.02907	100.0
87.04469	2.3
94.05564	1.1
96.99262	1.1
97.02874	5.4
99.04481	1.5
109.02896	2.5
111.04449	6.8
116.73286	1.2
123.04411	1.2
124.07689	1.0
127.03907	6.6
129.05484	41.0
136.07565	5.0
138.09167	1.5
145.04982	7.5
147.06531	22.7
152.07005	1.6
163.06013	3.0
164.07028	3.7
164.09218	4.3
187.72319	1.1
193.12981	1.2
197.02164	1.2
215.73326	1.3
220.01532	1.2
255.08633	2.2
271.06107	1.2
277.38516	1.3
426.17422	2.0
427.16318	3.5
427.18973	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	426.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44489	1.1
55.01869	1.5
55.05502	2.5
57.03437	11.0
58.15822	1.0
61.02914	1.8
69.03426	4.9
69.12170	11.0
71.04995	70.9
72.05314	1.5
73.02908	2.7
75.04480	6.1
77.19289	1.1
83.04984	9.6
83.08648	1.6
83.11188	1.0
85.02907	100.0
86.03246	1.5
87.04448	2.9
97.02892	7.6
99.04473	1.8
101.86945	1.0
103.03947	1.5
109.10116	1.3
111.04436	4.7
127.03904	6.2
129.05476	38.9
129.06468	2.2
130.05789	1.1
133.05060	1.3
145.04959	8.9
147.06541	21.3
163.06041	3.0
164.09195	3.5
173.97862	1.0
245.13680	1.3
245.47025	1.1
255.08444	1.8
287.05463	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	3.8
55.05512	3.7
57.03444	28.3
61.02931	12.4
67.77962	2.8
67.91516	2.6
69.03429	52.5
70.21590	9.0
70.21964	4.5
72.53658	2.6
73.02916	36.9
79.05510	4.7
81.03420	5.4
85.02902	100.0
87.04463	23.0
91.03947	5.0
95.04985	4.0
97.02890	65.0
97.10171	6.9
98.23280	3.5
99.04452	3.4
105.07066	3.2
109.02863	7.8
115.03930	56.7
115.11209	6.8
123.04408	4.0
126.04338	2.5
127.03922	25.5
133.04976	48.7
138.88144	3.7
145.04945	44.6
150.07654	10.4
163.06023	18.3
165.05540	3.2
236.48949	3.1
259.07953	5.3
427.18018	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	426.3363
Annotation	METHYLBENZETHONIUM
Peak:m/z	Relative Intensity
55.05507	0.3
67.05502	0.6
68.05823	0.1
69.03426	0.2
69.07075	0.5
69.09475	1.2
71.05003	0.2
79.05487	0.3
81.03407	0.2
81.07059	0.9
81.96726	0.1
82.07391	0.2
83.08617	0.3
91.05488	0.5
93.07040	0.6
94.07358	0.1
95.04967	0.3
95.08607	0.9
96.08916	0.2
97.06536	0.4
105.07031	0.5
106.07382	0.2
107.08599	0.8
108.08910	0.2
109.10146	0.5
110.10479	0.2
111.08072	0.1
117.07036	0.1
119.08571	0.8
121.10155	0.6
122.10482	0.1
131.08575	0.4
133.10104	0.8
135.08072	0.2
135.11700	0.3
136.12073	0.2
145.10100	0.3
147.11697	0.4
148.11946	0.1
149.02420	0.1
149.09669	0.1
149.13327	0.2
151.11121	0.2
151.83330	0.1
155.08612	0.1
157.10095	0.2
159.11702	0.4
161.13243	0.2
163.14836	0.2
165.09123	0.4
171.11702	0.2
173.13286	0.3
175.07629	0.1
175.14845	0.2
177.16356	0.2
185.13297	0.1
187.14806	0.3
189.16267	0.2
190.12238	0.1
203.17976	0.2
216.13780	0.1
242.15410	0.2
256.17120	0.1
270.18839	0.2
382.31046	4.5
383.31418	0.5
394.31155	0.5
396.28906	0.4
397.28476	0.1
408.32968	0.5
426.33627	100.0
427.33984	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	427.0293
Annotation	Eschweilenol A
Peak:m/z	Relative Intensity
50.01592	0.6
51.02370	0.9
52.03159	0.6
53.00315	0.4
55.01864	0.7
55.05510	0.3
57.84181	0.2
62.43988	0.2
65.26353	0.2
67.01865	0.2
68.26450	0.2
68.99789	0.3
71.05016	0.2
71.32763	0.2
71.33134	0.3
73.02969	0.2
77.03945	0.3
78.95538	0.2
79.01836	0.9
79.05489	0.4
80.02633	0.4
81.03419	0.7
85.06531	0.5
91.05460	0.3
95.01331	1.8
95.04976	0.4
97.02885	11.0
98.03698	0.5
100.11253	0.8
105.03380	0.9
105.06995	0.2
107.01318	1.2
107.04945	0.4
108.02087	4.2
109.02884	1.1
113.02354	4.9
117.03384	0.3
121.02879	0.3
123.00800	0.3
123.04443	0.5
125.00567	0.4
125.02344	14.6
126.03127	41.0
127.03880	1.1
131.04909	0.2
131.08524	0.3
133.02841	1.5
134.03653	0.3
135.04373	0.4
136.06197	0.7
137.02336	0.4
137.05904	0.3
139.03879	0.7
141.01819	6.9
144.02101	0.3
145.02820	0.9
147.04388	0.8
151.03960	0.2
153.01868	0.2
157.02876	0.4
161.02322	3.3
161.06003	0.3
162.03094	1.8
163.03902	0.4
165.01849	0.6
167.07037	0.9
172.01608	0.3
173.02338	1.5
174.03137	0.5
175.03850	0.4
179.03412	0.4
185.02283	0.5
187.03934	0.2
189.01813	12.6
190.02580	4.5
191.03329	0.9
198.06882	0.3
200.01109	0.3
201.01802	3.7
203.03398	0.9
207.02933	0.8
213.01868	0.9
213.09041	0.2
217.01308	12.1
218.02057	3.5
219.02818	0.9
228.00653	0.5
229.01295	3.9
229.05157	0.3
230.01770	0.4
231.02803	1.2
241.01328	1.7
244.98267	0.5
245.00798	9.9
246.01569	7.1
246.04237	0.4
247.02345	4.4
247.04776	0.5
257.00793	10.6
258.01215	0.4
258.08212	0.3
259.02350	1.8
259.04785	0.2
259.05612	0.2
259.08392	0.4
269.00726	0.6
273.00262	20.4
274.00940	2.7
275.01834	9.8
276.02115	0.6
285.00281	9.4
286.00781	1.5
286.07538	0.5
286.10629	0.4
287.01828	4.1
287.07880	0.5
288.02148	0.3
300.99759	49.0
302.00510	42.0
303.01303	100.0
304.01645	6.0
305.08682	0.6
323.09470	0.3
355.11621	0.3
384.15475	0.9
409.17087	0.3
427.02930	25.6
427.15604	1.8
427.20279	1.1
427.36407	0.6
428.03311	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	427.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88387	0.3
56.83405	0.3
58.56555	0.3
65.03928	0.3
66.61897	0.3
69.58444	1.5
75.97529	0.3
79.64130	0.3
113.03524	1.7
123.04436	1.5
135.04388	0.6
139.03908	2.7
145.02824	0.3
150.07773	0.8
151.03955	0.5
153.01749	0.3
153.05475	0.4
163.03922	1.7
167.03410	0.4
177.05482	0.4
185.08084	0.8
191.03468	0.6
201.05598	0.3
203.03241	0.5
205.05142	0.3
213.05580	0.3
229.05000	0.5
238.96169	0.4
239.06578	0.4
247.06113	0.5
257.04633	0.3
259.06000	1.0
271.05981	0.3
275.05450	0.5
283.05804	0.4
287.05530	1.2
289.07169	0.6
301.06430	0.3
344.99997	0.5
375.86288	0.4
409.08612	0.4
427.12048	100.0
428.12466	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	427.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05470	1.7
67.16291	1.2
68.99771	2.7
71.32992	1.6
74.35853	1.3
92.68379	1.4
98.97569	1.7
102.14262	1.3
103.46291	1.5
109.02871	1.8
110.97576	2.3
111.04448	2.1
113.03452	2.7
119.08514	1.5
121.02792	2.7
123.04443	16.0
135.04402	4.2
137.05933	2.7
139.03896	27.1
147.04399	1.6
150.07755	3.6
151.03909	2.3
163.03888	7.4
167.03409	3.3
175.03899	2.4
177.05423	2.0
177.09105	3.8
179.03345	3.0
185.04153	4.0
189.05241	9.3
191.03453	8.5
193.04803	1.9
201.05508	3.7
203.03313	5.6
203.12697	1.4
207.09329	1.5
213.05437	1.6
219.01791	2.2
229.04840	4.1
230.91397	1.5
233.04393	3.9
237.02835	3.0
237.46622	1.9
245.04477	3.7
247.05927	3.6
247.13354	2.1
257.04462	7.3
259.05881	4.9
265.06735	7.0
266.13876	7.0
271.06094	1.8
275.05493	12.3
283.05896	3.1
287.05444	16.0
301.07150	3.0
379.68863	2.0
381.11392	5.2
385.08401	1.7
409.01205	1.5
409.08841	6.3
427.11789	100.0
428.12186	6.8
428.19315	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	427.1208
Annotation	Asn-Trp-OH
Peak:m/z	Relative Intensity
60.62712	0.3
68.31173	0.3
69.03410	1.2
74.74382	0.3
81.03421	0.6
85.02917	1.9
85.46489	0.3
91.05459	0.7
93.07032	0.5
95.04951	0.8
95.08596	0.5
97.02884	0.8
99.04424	0.3
105.07023	0.7
109.06515	0.5
111.04389	0.5
113.03479	0.4
119.08550	0.9
121.06524	0.5
123.04408	1.4
124.07124	0.3
127.03926	0.7
135.08031	1.2
139.03923	1.8
145.10117	0.7
150.07716	1.3
153.01797	0.5
157.10146	0.4
159.07982	0.4
159.11707	0.5
161.09557	1.0
163.03844	0.7
165.09094	0.4
175.07539	0.9
175.11191	0.5
187.11093	0.7
191.03448	0.5
193.08609	0.4
201.12593	0.5
203.10648	0.8
211.11159	0.4
217.12323	0.6
229.04964	0.4
229.12073	0.4
232.68474	0.3
243.75165	0.4
247.05994	0.4
247.13345	1.6
257.04318	0.4
259.05859	0.5
265.14282	3.1
275.05316	0.4
287.05399	0.9
321.80399	0.3
409.08951	0.6
427.11996	100.0
428.12354	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	427.1369
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	13.1
67.05497	4.2
69.83225	15.0
81.03443	3.9
91.05471	6.2
98.97591	15.8
107.04956	3.9
116.98653	7.2
119.04980	5.6
121.02846	7.1
122.06103	4.2
123.04429	27.5
124.07576	5.8
135.04439	7.6
136.07556	25.0
139.03925	21.4
143.00150	7.2
147.04395	8.1
151.03928	4.0
155.28001	3.5
161.01221	4.4
163.03868	6.9
164.07047	23.0
167.03413	5.2
177.05289	4.6
179.03406	7.1
182.08072	4.1
184.07304	4.9
185.04190	9.7
185.05914	4.2
185.34181	4.3
187.04124	6.2
189.05554	4.6
191.03392	19.0
203.03392	12.9
205.05367	27.8
219.02773	4.6
223.06425	31.4
229.04869	4.9
233.04437	5.0
245.04428	9.9
247.06268	12.5
257.04434	23.2
259.05942	4.2
265.07498	45.9
265.10391	8.7
265.14124	54.3
269.04449	6.9
275.05460	14.8
283.05945	4.6
283.08511	94.4
287.05609	30.9
307.08459	60.1
325.09528	16.6
367.10309	5.9
392.38361	4.0
409.09201	30.0
427.13672	90.3
427.19409	100.0
428.14203	10.6
428.19611	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	427.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32052	0.4
51.48829	0.4
53.03934	0.4
55.01862	1.1
66.98808	0.4
68.99784	1.8
69.64246	0.3
71.31712	0.8
71.95813	0.4
77.03925	0.6
77.87589	0.4
79.05482	0.5
81.03403	0.5
85.02903	0.6
91.05506	0.7
95.04958	1.0
97.02831	0.7
98.82129	0.4
107.04975	0.8
111.00779	0.9
111.04434	0.9
111.39079	0.4
113.02333	0.8
115.05424	0.4
117.07037	0.6
121.02840	0.9
123.04419	12.7
124.04901	0.5
127.03894	0.7
131.04877	0.9
135.04416	4.2
137.05972	0.9
139.03885	25.1
140.04204	1.0
147.04391	1.2
149.02368	0.5
149.38188	0.4
150.07713	2.3
151.03876	2.3
153.01767	2.1
157.06448	0.6
159.04367	1.0
161.05974	0.8
163.03897	7.4
165.05495	1.2
167.03398	3.5
171.04335	0.5
173.06026	0.6
175.03891	1.6
175.07463	0.6
177.05394	1.9
179.03394	3.1
181.06413	0.7
183.04478	0.4
185.04227	2.0
185.05898	0.8
187.03909	1.8
189.05238	10.8
190.05975	1.3
191.03381	8.0
193.04942	1.4
201.05499	2.8
203.03383	4.9
203.06863	0.6
204.03674	0.4
205.04987	1.1
213.05518	1.2
215.03290	0.6
217.04915	1.1
223.02380	0.4
229.04926	4.1
230.05574	0.5
231.06557	0.9
233.04416	3.2
240.80473	0.5
241.04961	0.9
245.04408	3.3
245.62099	0.5
246.04680	0.4
247.05937	4.3
251.05618	1.1
255.06540	1.1
257.04425	6.3
258.04953	1.0
259.06036	5.0
263.05475	0.5
264.09622	0.7
265.10443	14.3
266.10754	0.8
269.04428	1.1
271.06049	1.5
275.05478	9.6
276.05832	0.5
283.05969	4.5
284.06265	0.5
287.05460	13.9
288.05762	1.2
289.06720	0.4
295.11548	0.5
299.05481	1.0
301.06998	2.6
352.11325	2.3
353.11969	0.7
391.07950	0.6
409.09158	6.1
410.09372	0.6
427.15717	100.0
428.10803	0.8
428.16129	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	427.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32052	0.4
51.48829	0.4
53.03934	0.4
55.01862	1.1
66.98808	0.4
68.99784	1.8
69.64246	0.3
71.31712	0.8
71.95813	0.4
77.03925	0.6
77.87589	0.4
79.05482	0.5
81.03403	0.5
85.02903	0.6
91.05506	0.7
95.04958	1.0
97.02831	0.7
98.82129	0.4
107.04975	0.8
111.00779	0.9
111.04434	0.9
111.39079	0.4
113.02333	0.8
115.05424	0.4
117.07037	0.6
121.02840	0.9
123.04419	12.7
124.04901	0.5
127.03894	0.7
131.04877	0.9
135.04416	4.2
137.05972	0.9
139.03885	25.1
140.04204	1.0
147.04391	1.2
149.02368	0.5
149.38188	0.4
150.07713	2.3
151.03876	2.3
153.01767	2.1
157.06448	0.6
159.04367	1.0
161.05974	0.8
163.03897	7.4
165.05495	1.2
167.03398	3.5
171.04335	0.5
173.06026	0.6
175.03891	1.6
175.07463	0.6
177.05394	1.9
179.03394	3.1
181.06413	0.7
183.04478	0.4
185.04227	2.0
185.05898	0.8
187.03909	1.8
189.05238	10.8
190.05975	1.3
191.03381	8.0
193.04942	1.4
201.05499	2.8
203.03383	4.9
203.06863	0.6
204.03674	0.4
205.04987	1.1
213.05518	1.2
215.03290	0.6
217.04915	1.1
223.02380	0.4
229.04926	4.1
230.05574	0.5
231.06557	0.9
233.04416	3.2
240.80473	0.5
241.04961	0.9
245.04408	3.3
245.62099	0.5
246.04680	0.4
247.05937	4.3
251.05618	1.1
255.06540	1.1
257.04425	6.3
258.04953	1.0
259.06036	5.0
263.05475	0.5
264.09622	0.7
265.10443	14.3
266.10754	0.8
269.04428	1.1
271.06049	1.5
275.05478	9.6
276.05832	0.5
283.05969	4.5
284.06265	0.5
287.05460	13.9
288.05762	1.2
289.06720	0.4
295.11548	0.5
299.05481	1.0
301.06998	2.6
352.11325	2.3
353.11969	0.7
391.07950	0.6
409.09158	6.1
410.09372	0.6
427.15717	100.0
428.10803	0.8
428.16129	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	427.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.3
55.01864	0.6
57.04546	0.7
59.04998	0.3
61.64542	0.3
67.05493	0.5
68.99784	1.0
69.03434	0.7
71.04977	0.5
79.05423	0.4
81.03426	0.5
81.07055	0.8
84.17621	0.3
85.02925	0.7
85.06545	0.4
91.05463	0.5
93.03378	0.4
93.07024	0.5
94.04040	2.1
95.04961	0.4
97.02836	0.3
101.45923	0.4
105.03398	0.9
105.07098	0.4
105.63792	0.3
107.04936	0.4
109.02867	0.5
109.10145	0.5
110.96159	0.3
111.00780	0.3
111.04467	0.8
121.02885	0.9
121.06533	0.5
123.04430	5.1
123.06707	0.9
127.03912	0.4
127.11157	0.5
130.54303	0.3
131.04964	0.4
133.10155	0.3
135.04410	1.3
135.05371	0.3
137.05975	0.6
137.09598	0.3
139.03905	7.9
140.07048	0.4
147.04419	1.0
148.06181	0.4
149.09633	1.1
150.07750	100.0
151.03917	0.9
151.08220	1.8
153.01920	0.3
163.03915	1.7
163.08670	0.5
165.05482	0.5
167.03409	1.0
169.01291	0.4
175.03891	1.0
177.05466	0.7
179.03400	1.1
179.07072	0.4
187.03862	0.4
189.05460	0.6
191.03394	2.6
193.04991	1.0
201.05423	0.8
203.03421	1.9
205.05116	0.4
215.03384	0.4
229.05002	1.5
229.11134	0.3
233.04498	1.2
235.16936	0.8
239.60963	0.4
240.57428	0.3
241.04942	0.5
245.04485	1.2
247.06062	1.3
255.06531	0.4
257.04410	2.8
257.07092	0.3
257.07941	0.3
259.05972	1.0
265.07224	0.7
269.04501	0.7
271.05862	0.5
273.12390	0.4
275.05511	3.7
282.12109	0.6
283.05945	0.7
283.08643	0.6
287.05536	5.2
295.11487	18.1
296.11703	0.9
299.05313	0.5
301.06995	0.5
371.03787	0.4
381.02591	0.7
409.01987	1.2
409.09128	2.0
409.18192	0.4
427.03543	2.1
427.10165	2.0
427.19888	5.1
428.14911	0.5
428.20193	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49939	0.6
51.68281	0.6
55.05517	1.6
57.07072	0.9
58.02207	0.6
62.71252	0.6
62.97533	0.6
63.29871	0.6
66.96000	0.7
67.05483	2.4
69.07051	2.0
70.44294	0.6
70.44637	2.0
79.05532	1.4
81.07059	3.0
83.08643	0.7
87.25930	0.6
91.05487	2.5
93.07020	3.0
95.08608	4.1
97.06555	0.8
105.07030	2.8
107.08597	3.3
109.10151	2.4
117.07079	0.7
119.08588	3.3
121.10144	2.5
123.08061	0.9
129.07011	0.7
131.08598	1.2
132.41107	0.6
133.10138	3.0
135.11694	1.5
143.08665	0.8
145.10118	1.9
149.13235	0.7
157.10139	0.9
159.11752	1.2
161.09706	0.9
161.13216	0.9
163.11238	0.7
163.14742	0.9
171.11786	0.8
173.09531	0.8
173.13245	1.2
175.14862	0.9
176.04446	3.0
177.12785	0.7
185.13287	1.2
187.14841	1.6
189.05252	1.4
201.05267	4.0
203.14252	1.0
216.07573	34.5
217.08296	5.0
219.06325	1.6
229.08437	0.8
233.07854	2.2
236.53488	0.7
257.10312	0.7
391.30060	0.8
409.31232	1.0
427.17249	100.0
428.17664	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	427.196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.1
53.03948	2.3
55.01871	4.1
55.05502	1.4
57.03430	2.5
61.02918	2.5
65.03927	1.1
67.05502	3.0
67.86933	1.0
68.99788	4.9
69.03429	13.2
70.54188	1.0
71.04987	2.4
71.35542	1.5
73.02931	1.0
73.53209	0.9
79.01852	3.9
79.05502	2.2
81.03423	11.5
81.07063	2.0
83.01360	1.1
83.04986	2.8
85.02908	18.5
86.97407	1.0
91.05476	5.3
93.07040	3.9
95.04955	6.6
95.08600	1.6
97.02885	11.5
98.97533	1.7
99.04461	2.1
101.16587	0.9
105.07037	7.7
107.01299	2.2
107.04984	2.1
107.08583	2.7
109.02869	8.4
109.06520	3.6
111.00803	2.1
111.04412	6.1
113.02361	24.8
113.03086	1.9
113.06004	2.4
115.05460	1.3
117.07037	2.2
119.04948	1.5
119.08568	8.7
120.08890	1.0
121.02882	2.2
121.06491	5.2
123.04417	26.6
123.08064	3.3
124.04710	1.4
125.02360	4.4
125.06013	0.9
127.03915	11.6
129.06999	3.2
131.04897	1.1
131.08548	5.4
133.10114	2.0
135.04411	7.8
135.08034	10.1
137.05977	2.0
137.09578	2.5
139.03894	51.6
139.07465	1.1
140.04321	1.9
141.06979	1.3
142.07748	1.7
143.03430	5.0
143.08537	2.0
144.05759	1.0
145.04962	5.4
145.06480	1.5
145.10143	3.8
146.07338	1.1
147.04410	3.3
147.08046	4.5
147.11694	2.9
149.02390	1.0
149.05974	2.4
150.07751	5.5
151.03906	3.0
153.01822	100.0
153.02861	4.7
153.06993	1.9
154.02153	4.4
155.08522	1.4
157.06485	1.6
157.10150	3.9
158.07291	3.3
159.04457	1.4
159.08029	3.7
159.11694	3.9
161.05991	2.1
161.09579	5.4
163.03903	15.6
163.05971	2.2
165.05440	2.4
165.09100	3.9
167.03365	8.5
168.09326	1.4
171.02881	10.9
171.08005	1.1
171.11661	2.2
172.08789	1.9
173.05988	1.8
173.09621	2.5
173.13306	2.7
175.03925	4.2
175.07536	10.7
175.11191	4.0
177.05476	4.0
179.03424	4.8
181.06473	1.2
185.06032	1.3
185.09604	1.8
187.03853	1.9
187.11180	4.8
189.05467	3.0
189.09129	2.3
189.12721	2.0
191.03386	14.8
193.04968	4.0
193.08568	2.4
195.06514	1.3
199.11194	2.4
201.05408	4.0
201.12785	4.5
203.03377	10.7
203.10661	10.5
205.04936	1.9
211.11143	3.0
213.05487	3.0
217.04915	1.4
217.12193	5.8
219.01804	2.1
219.13794	1.8
221.56183	1.3
229.04930	7.8
229.12212	6.5
233.04416	6.0
235.13202	2.0
237.02827	4.3
241.04883	1.4
245.04431	7.2
247.06052	8.9
247.13315	15.5
248.13438	1.4
251.05507	2.4
255.06569	2.2
257.04407	12.2
258.05063	2.0
259.06006	9.4
265.14322	34.6
266.14758	2.1
269.04413	2.3
271.05981	3.4
275.05499	20.1
276.05701	1.6
283.06067	6.6
287.05475	27.7
288.05807	2.6
297.06100	10.5
299.05484	2.3
301.06985	6.3
315.07111	1.8
381.02716	1.8
383.08685	1.3
385.08038	2.2
393.38632	1.1
409.09167	10.7
427.03021	4.5
427.11127	7.2
427.16180	17.8
428.16199	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	427.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51954	0.5
53.03933	1.5
55.01859	1.5
55.05512	9.9
57.03435	0.8
57.06822	0.7
57.07078	8.8
65.03938	1.0
65.58232	0.5
67.05507	23.7
68.05824	0.5
69.03419	1.7
69.06708	0.9
69.07071	16.6
69.23219	4.1
71.04985	1.8
71.08620	1.0
71.57147	0.5
77.03915	1.2
79.05495	12.5
81.03423	0.9
81.07058	71.3
82.07393	0.9
83.01342	1.7
83.04967	2.5
83.08620	7.6
85.06544	2.0
87.04454	1.2
91.05477	10.5
93.07050	22.0
94.07343	0.9
95.04963	2.4
95.08607	100.0
96.08929	1.9
97.06530	2.2
97.10171	3.3
99.04473	0.7
99.08092	2.5
101.06027	2.2
103.05436	0.8
105.07034	18.4
105.07740	1.2
107.04929	0.7
107.08596	22.1
108.08881	0.8
109.06532	2.0
109.10161	26.4
110.05103	0.6
110.10474	0.7
111.04503	0.6
111.08099	1.7
111.11754	1.0
115.05453	0.9
117.07018	7.3
119.08577	19.7
121.06523	2.8
121.10143	16.8
122.10467	0.6
123.04486	0.8
123.08082	2.0
123.11711	20.1
124.12085	0.7
125.06030	0.8
125.09657	1.9
128.06223	1.5
129.06990	3.1
130.07816	1.3
131.08571	15.0
132.09023	0.7
133.06464	1.1
133.10129	13.7
134.10509	0.7
135.08066	3.9
135.11688	12.4
137.05988	0.8
137.09691	1.4
137.13254	56.9
138.13625	1.6
139.03850	0.9
142.07774	2.0
143.08559	5.1
144.09348	4.2
145.10130	17.7
146.10576	0.8
147.08011	0.7
147.11691	9.9
149.06021	1.2
149.09651	2.3
149.13257	8.7
151.07588	1.4
151.11154	1.3
151.14803	3.7
153.05484	2.5
155.08607	0.7
156.09410	1.4
157.10136	6.8
158.10947	1.4
159.11697	47.6
160.12093	2.1
161.06078	1.4
161.09665	1.7
161.13266	8.2
161.14529	0.8
163.07582	2.5
163.11226	2.4
163.14824	6.0
165.09154	1.1
167.03423	2.1
167.07100	1.7
169.05031	0.6
169.10088	2.9
171.08144	0.8
171.11705	4.4
173.09604	1.2
173.13255	6.6
175.07573	2.6
175.11230	1.6
175.14790	6.0
177.05501	1.0
177.09187	0.8
177.12784	1.5
177.16335	2.7
179.07033	1.0
179.14421	1.0
179.17987	1.1
181.08646	1.5
181.10164	0.8
183.06583	1.9
183.11760	1.5
185.09741	0.6
185.13316	4.1
187.11230	2.7
187.14827	7.0
189.05511	1.0
189.09216	1.2
189.12746	1.2
189.16385	5.6
191.07063	5.6
191.14371	2.5
191.17949	4.7
193.08595	3.4
193.15961	1.3
193.19582	2.4
197.08174	1.4
197.13332	2.3
199.14816	5.0
201.09189	0.7
201.12831	1.1
201.16394	27.2
202.16949	1.9
203.07092	1.0
203.10686	0.9
203.14369	2.2
203.17931	2.9
205.08646	4.5
205.12419	0.7
205.15869	3.6
205.19580	1.5
207.06577	1.7
207.17557	1.5
209.08043	3.0
209.13484	0.7
209.15428	1.6
211.14900	2.4
213.09180	0.6
213.16389	2.9
215.14555	0.7
215.18037	2.4
217.08554	1.1
217.15927	2.4
217.19583	2.5
219.06558	1.4
219.10225	1.2
219.17468	1.0
219.21234	0.7
221.08101	5.8
221.15395	1.3
223.09755	2.3
225.07642	2.4
225.16429	0.9
227.09027	1.1
227.17955	1.2
229.08664	1.3
229.15959	1.7
229.19614	1.4
231.17540	1.1
231.21051	0.7
233.11740	0.9
235.09602	1.3
235.16917	0.8
237.07593	1.5
239.09293	1.7
239.18111	1.5
241.08650	0.8
241.19493	5.9
243.10223	1.7
247.09660	1.6
247.17029	2.1
249.11427	1.1
249.18613	0.7
253.19676	1.9
255.21107	1.8
257.11847	0.9
257.19119	0.7
259.20575	6.2
261.11154	5.6
263.09042	2.6
267.10193	0.7
267.21243	1.7
269.11743	1.0
271.20691	1.3
275.12799	1.2
275.20160	1.5
277.21655	3.0
279.13907	0.7
281.22638	0.7
283.13315	1.2
285.11484	0.9
285.22137	0.9
287.12915	0.6
289.10828	1.3
291.13876	0.6
293.11365	0.9
297.14868	0.7
303.23285	0.7
305.14124	1.2
309.14816	0.8
315.16092	0.9
321.18558	0.7
325.25073	0.6
327.16135	0.8
339.19760	1.0
349.18112	1.5
353.17743	1.9
357.20642	1.1
367.19040	6.3
368.19641	0.9
391.22922	0.6
391.33792	2.0
409.23685	7.0
409.30502	1.1
409.35364	3.5
427.24835	18.8
427.35858	21.7
428.25253	2.0
428.36652	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39096	0.2
58.98946	0.3
69.43571	1.7
81.03362	0.3
102.26921	0.3
145.10286	0.3
149.02386	0.3
157.10165	0.3
165.62477	0.3
248.06647	0.5
269.79898	0.3
420.95877	0.3
427.26639	100.0
428.27014	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	427.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.4
57.46506	0.4
66.70976	0.4
67.05507	0.6
69.07054	0.7
69.95197	1.3
79.05487	0.8
81.07056	1.5
83.08633	0.6
91.05497	1.0
93.07039	1.2
95.08599	0.7
97.06515	0.5
98.97578	0.5
105.07027	1.2
107.08584	1.0
109.10175	0.6
116.79634	0.4
116.98627	0.9
119.08574	0.9
123.08031	0.4
131.08546	0.7
133.10117	0.5
134.99696	0.5
145.10126	0.7
147.11649	0.9
151.07585	0.5
159.11620	0.5
161.13338	0.5
165.09102	0.6
169.10077	0.4
171.11746	0.7
173.07849	1.5
175.11160	0.6
185.13318	0.4
187.14883	0.4
191.08986	0.7
201.05263	0.7
219.11835	0.4
232.07076	1.3
311.02225	0.4
312.02841	0.4
362.40628	0.4
370.07138	0.4
427.14722	3.3
427.26648	100.0
428.14014	0.5
428.26990	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	427.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.6
55.01866	2.9
55.05508	44.0
57.03436	22.1
57.07074	50.2
59.04995	1.4
67.05504	48.7
69.07065	80.8
70.07411	3.1
71.04993	3.1
71.08627	36.3
73.06536	2.8
79.05487	25.6
79.26249	1.5
81.07054	74.0
82.07365	3.1
83.04993	5.0
83.08616	50.3
84.08968	1.5
85.06548	5.2
85.10174	17.3
91.05481	8.7
93.07042	37.5
94.07373	1.6
95.04967	2.8
95.08604	80.4
96.08953	4.0
97.06521	17.0
97.10165	30.9
99.08080	1.8
101.06036	1.9
105.07020	16.4
107.08591	41.1
108.08926	1.7
109.06498	2.6
109.10149	45.3
109.10874	2.5
110.10529	2.5
111.08069	9.7
111.11724	9.4
115.07567	2.5
117.07024	3.1
119.08578	15.9
121.10139	39.4
121.10968	2.6
122.47765	1.4
123.08061	2.1
123.11709	19.2
125.09628	8.5
125.13274	2.9
129.09111	2.6
131.08591	5.3
133.10103	11.3
135.08035	2.8
135.11685	31.1
137.09685	2.2
137.13252	7.3
139.11179	10.4
143.08540	2.6
143.10675	2.9
145.10135	8.5
147.08037	3.1
147.11647	10.0
149.13257	17.2
151.11288	2.0
151.14832	3.6
153.12732	9.2
155.08481	1.6
157.10164	2.6
157.12238	2.4
159.11728	5.1
161.13237	7.1
163.14819	11.2
167.14339	5.5
169.10036	1.6
171.11813	2.0
173.09697	1.9
173.13362	3.4
175.14835	5.0
176.15112	1.4
177.16370	7.0
181.15894	4.5
185.15399	3.5
187.14836	4.3
189.16371	8.4
191.17969	5.0
193.15935	1.8
195.17371	3.9
199.16904	1.5
201.16463	4.2
203.14395	1.8
203.17984	4.7
205.16022	1.9
205.19669	2.5
209.19037	3.5
213.18462	2.1
215.18033	1.6
217.19527	2.3
219.21104	1.8
223.20612	2.0
229.19498	1.8
231.21062	2.0
235.20636	1.6
237.22150	2.3
247.23921	1.9
255.23322	2.1
267.17395	1.8
285.18686	3.1
289.28677	6.7
307.29880	11.2
308.30258	2.1
317.28418	9.4
318.28708	1.7
331.25665	1.6
335.29453	20.9
336.29694	3.7
353.30829	2.1
371.31558	38.3
372.31918	4.7
391.29666	1.8
409.33441	14.6
410.33661	2.1
427.34326	100.0
428.34717	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3568
Annotation	Oxidosenexone
Peak:m/z	Relative Intensity
53.03951	1.2
53.51512	0.8
55.05510	7.5
57.07071	3.7
67.05497	11.2
69.03420	0.9
69.07064	11.7
69.18823	4.0
69.19228	1.6
71.08627	1.1
71.89922	0.7
73.60847	0.8
79.05482	5.8
81.03413	0.8
81.07053	18.5
83.04982	0.9
83.08615	6.6
85.06518	1.2
85.10170	1.0
91.05463	4.5
93.07037	14.2
95.04961	1.1
95.08601	27.0
95.09212	1.4
96.08939	1.5
97.06538	2.2
97.10142	4.3
98.23367	1.6
105.07033	8.2
107.08587	20.8
109.06516	2.1
109.10143	24.6
110.10497	1.3
111.08092	1.6
111.11711	1.9
117.06997	1.2
119.08568	10.2
120.08928	0.8
121.06521	4.2
121.10132	14.5
121.10956	0.9
123.08056	2.8
123.11681	11.1
131.08583	3.2
133.10104	7.7
133.10999	0.7
135.08044	3.6
135.11681	17.5
135.12646	1.2
136.11989	0.9
137.09598	12.7
137.13263	3.1
139.11205	0.7
143.08559	1.0
145.10104	5.8
147.04404	1.3
147.08031	5.5
147.11668	5.9
148.63087	0.9
149.09587	2.0
149.13242	10.0
153.12785	1.2
155.21140	0.9
159.11723	3.0
161.09634	2.7
161.13232	5.3
163.11192	1.7
163.14815	6.6
165.09155	1.1
165.12738	1.1
171.11720	1.7
173.13269	3.1
175.14864	4.1
177.12778	3.2
177.16406	3.2
179.14320	1.7
183.11693	0.8
187.14810	5.9
189.12807	2.0
189.16373	3.2
191.14369	4.2
191.17935	5.3
192.18309	0.9
199.14853	1.5
201.16394	3.9
203.14307	28.8
203.18013	3.2
204.14644	1.6
205.15866	8.1
205.19714	0.8
207.17651	1.1
212.50835	0.6
213.16454	1.3
214.54181	0.7
215.18060	1.3
217.15884	2.5
217.19453	0.9
219.17474	3.3
219.21095	8.2
219.26987	1.0
229.19577	1.1
231.21301	1.0
257.22638	5.6
275.23740	2.0
349.83096	0.8
391.33304	0.9
396.85846	0.7
409.34854	5.6
413.58450	0.8
427.35745	100.0
428.36160	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	427.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	2.2
55.05505	17.4
55.66256	1.8
57.03441	2.6
57.07063	7.3
64.02672	1.8
66.28702	1.8
67.05506	35.2
69.03414	2.3
69.07063	21.9
71.04974	2.8
73.50108	2.0
79.05498	26.6
81.03410	2.5
81.07058	77.0
83.04970	4.9
83.08643	12.1
84.07013	1.9
85.06534	2.5
91.05486	21.0
91.65653	2.1
93.07043	46.3
94.07355	2.7
95.04967	5.0
95.08606	100.0
96.08937	3.8
97.06533	4.6
97.10175	6.7
99.08097	2.0
100.20132	2.0
102.82279	2.1
103.05418	2.7
105.06351	3.6
105.07025	45.7
107.08598	57.5
108.08941	2.7
109.06532	3.6
109.10158	47.6
111.08109	4.6
116.27517	1.9
117.07012	8.3
119.08582	42.1
120.08914	3.4
121.06527	3.2
121.10150	50.4
122.10506	2.9
123.08163	2.8
123.11699	22.9
125.09625	9.3
129.06978	4.8
131.08569	19.7
133.10124	39.7
135.08014	10.3
135.11694	44.8
137.09612	7.1
137.13248	34.5
143.08543	7.3
145.10135	34.3
147.08018	2.2
147.11687	34.1
148.11995	3.4
149.09625	2.9
149.13264	25.6
151.11191	3.2
151.14812	2.8
153.09116	6.7
155.08504	2.6
157.10118	9.2
159.11696	25.0
161.09584	4.1
161.13275	30.5
163.11211	2.9
163.14842	19.1
163.74321	1.8
165.12770	4.7
167.04634	2.1
169.10181	3.0
171.11641	10.0
171.72025	1.9
173.13258	20.8
175.14873	14.4
177.12837	3.6
177.14958	2.2
177.16354	13.0
179.14308	6.3
183.11676	4.0
185.13306	10.5
187.14859	19.4
188.15279	2.4
189.12762	4.3
189.16389	20.9
191.14285	8.9
191.17946	18.8
193.15833	2.6
197.13260	5.3
199.14838	5.7
201.16397	19.7
203.14391	2.2
203.17969	17.5
205.15901	9.0
205.19591	2.6
207.17473	6.3
211.14748	3.7
213.16379	8.9
215.17989	7.7
217.15865	3.9
217.19537	6.0
219.13933	3.9
219.17450	8.3
221.15359	2.8
227.18030	4.9
229.15912	3.0
229.19545	7.9
231.17548	3.1
233.18974	3.9
239.18120	2.7
241.19551	4.5
243.17422	2.2
243.20990	3.5
247.16994	3.6
255.21008	3.7
259.20636	4.7
269.22598	4.5
271.20731	3.3
275.24048	2.3
283.24124	3.9
287.23669	3.4
351.30322	5.4
353.32007	2.9
369.31509	7.0
381.27594	2.5
391.33502	6.8
409.35028	23.8
409.64978	2.1
427.20764	3.0
427.31003	7.2
427.36621	28.7
428.36490	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	427.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16642	0.6
55.05502	5.0
57.03435	0.7
57.07079	2.8
59.05000	0.8
64.30581	0.5
65.03919	0.9
67.05508	8.0
69.07072	7.2
71.04985	0.9
77.03932	0.6
79.05494	6.9
81.07056	21.1
83.05005	1.3
83.08613	4.5
85.06547	1.5
91.05477	7.9
93.07042	19.3
94.07356	0.7
95.04980	2.6
95.08608	30.4
96.08932	0.9
97.06535	2.6
97.10163	2.2
105.07029	16.1
105.07709	1.0
107.08591	33.0
108.08913	1.0
109.06512	3.5
109.10156	17.0
110.10469	1.1
111.08065	2.9
111.11708	1.0
113.09637	1.2
117.07016	2.9
119.08582	26.0
120.08943	1.4
121.06517	1.7
121.10142	23.2
122.10469	1.0
123.08064	5.6
123.11691	5.2
125.09621	0.9
127.11192	0.7
129.06956	1.2
130.07762	0.8
131.08565	9.6
133.10123	18.9
134.10524	1.3
135.08063	3.4
135.11693	21.1
136.12094	0.9
137.05930	0.6
137.09637	2.4
137.13258	2.3
139.11166	0.6
143.08620	2.7
145.10120	13.5
145.11197	1.0
146.10435	0.7
147.07953	0.7
147.11681	22.1
148.12042	0.8
149.09651	2.1
149.13255	13.6
151.11197	1.8
157.10149	4.7
158.10919	0.9
159.11681	11.1
161.09723	0.7
161.13272	9.6
162.13583	0.6
163.11182	1.5
163.14813	12.0
165.12802	2.3
169.10182	1.2
171.11682	3.6
172.12270	1.0
173.13277	4.8
175.11255	1.3
175.14810	6.1
177.12846	1.2
177.16400	9.9
179.14369	1.2
183.11742	1.2
185.13268	2.8
187.11227	0.6
187.14809	16.6
188.15146	1.2
189.12724	1.0
189.16383	25.0
189.28413	0.6
190.16768	2.1
191.14392	1.3
191.17928	3.0
193.15846	0.8
197.13333	0.9
199.14838	3.1
201.16409	8.0
203.14328	0.7
203.17987	4.0
205.15878	53.7
206.16165	3.9
207.17436	30.2
208.17775	1.6
211.14876	1.2
213.16397	3.4
214.17149	0.6
215.17920	5.8
217.15923	1.1
217.19548	1.7
219.13936	0.8
219.17455	5.5
220.17957	0.6
227.18018	2.2
228.87735	0.6
229.19527	4.0
233.19226	0.6
239.18082	0.7
241.19473	2.4
251.48923	0.6
253.19557	0.9
255.21066	4.7
257.22665	1.1
269.22745	4.2
273.22226	0.8
287.23663	0.8
291.23288	1.2
331.26193	1.1
381.27679	1.1
391.33728	1.8
409.26828	1.5
409.34998	9.8
410.35239	1.2
427.35797	100.0
428.36188	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	427.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.2
55.01870	0.9
55.05509	9.4
57.03440	1.2
57.07076	3.5
59.04984	1.0
60.36430	0.8
65.03933	1.1
67.05501	11.3
68.44376	1.1
69.07063	15.9
71.08662	1.1
71.33593	1.5
79.05487	15.2
79.05878	1.2
81.07053	29.8
83.05029	1.0
83.08607	7.7
85.06578	3.3
91.05465	11.3
93.07041	30.6
95.04996	1.9
95.08600	46.6
97.06565	3.8
97.10159	4.6
99.08086	1.0
105.07025	22.1
107.08588	52.0
107.56960	0.9
108.08923	1.7
109.06538	3.3
109.10146	21.5
111.08138	2.7
111.11750	2.1
117.07056	3.5
119.08573	34.7
120.08964	1.5
121.06521	2.2
121.10140	35.3
122.10512	1.4
123.08121	3.8
123.11692	8.8
125.09660	2.3
129.07039	1.6
131.08563	10.7
132.08990	1.2
133.10124	25.0
135.08104	3.8
135.11685	33.4
137.09639	4.5
137.13289	2.2
142.07822	1.1
143.08627	4.1
144.09389	1.1
145.10104	15.8
147.08099	1.5
147.11676	25.1
148.12068	1.4
149.09657	2.8
149.13254	22.1
149.14423	1.2
150.13623	1.2
151.11217	3.0
157.10078	5.0
159.11661	10.5
161.09682	1.7
161.13237	12.7
163.11258	2.1
163.14813	20.9
165.12819	2.9
167.10782	1.2
171.11693	5.6
173.09666	1.3
173.13222	7.0
175.11143	1.2
175.14830	9.6
177.12845	1.7
177.16368	19.5
179.14343	2.1
183.11734	1.7
185.13315	2.9
187.14809	19.5
188.15245	1.6
189.12827	1.9
189.16376	41.4
190.16800	1.9
191.14380	2.2
191.18040	3.9
193.15942	1.1
197.13431	1.3
199.13252	1.0
199.14919	3.6
201.16383	9.6
203.14456	1.7
203.18047	4.1
205.15866	100.0
206.16209	7.0
207.17432	58.3
208.17809	2.3
211.14914	1.7
213.16438	5.3
214.17004	1.1
215.17911	9.9
217.19637	3.9
219.17514	8.0
221.15413	1.8
225.16492	1.1
227.18050	2.1
229.19502	6.4
231.21184	1.7
235.20627	2.9
241.19707	3.0
243.21130	1.3
255.21031	6.4
265.19608	1.2
269.22501	4.4
277.21701	1.4
287.23712	1.7
315.40417	1.0
391.33765	3.0
409.29993	1.1
409.34775	18.6
409.39520	1.4
410.35245	3.0
427.35986	53.4
428.36490	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	427.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.6
55.05507	27.1
57.07077	20.1
65.03934	4.3
67.05502	30.4
67.12530	3.3
69.03446	3.4
69.07066	51.8
69.78488	3.6
71.04993	4.5
71.34071	4.1
74.33857	2.8
79.05478	25.5
79.49526	2.7
81.07053	63.2
82.07362	4.4
83.04951	4.2
83.08615	26.5
85.06543	4.9
91.05477	37.1
93.07040	55.9
95.08602	100.0
96.08946	3.6
97.06529	5.9
97.10179	14.5
99.04479	4.4
99.08113	4.0
101.05984	5.3
105.07016	47.9
105.07640	4.7
106.07394	4.3
107.08590	78.1
108.08930	4.8
109.06505	4.4
109.10152	60.7
110.10568	3.9
111.08126	5.0
111.11758	4.0
115.07528	3.5
117.07024	11.0
119.08577	60.9
121.10140	58.2
123.11695	28.6
125.09624	5.9
131.08560	21.3
133.10124	57.3
135.08047	5.2
135.11691	46.3
137.09627	5.4
137.13251	11.0
141.09128	5.4
143.08542	4.7
145.10114	26.0
147.11676	39.5
149.09694	5.1
149.13248	22.2
151.11258	3.8
157.10153	6.1
159.11665	16.3
161.13243	17.0
163.14828	22.3
169.10135	3.9
171.11647	6.1
173.09662	6.7
173.13277	14.4
175.11174	3.4
175.14819	18.0
177.12794	3.3
177.16385	26.2
179.14340	3.9
181.12213	4.8
183.11679	3.1
185.13272	5.7
187.11145	4.5
187.14766	20.4
189.12827	3.5
189.16360	76.2
189.17967	5.1
191.10550	4.9
191.17949	14.5
195.13795	3.9
199.14911	4.8
201.16428	12.9
203.17946	21.4
205.15855	5.6
205.19608	3.6
207.13625	3.4
211.14920	3.9
213.16281	4.9
215.14413	3.9
215.18001	7.5
217.19495	7.9
229.15874	3.8
231.21074	6.6
243.21063	7.1
257.22626	9.6
263.19974	3.9
271.24179	9.3
285.25824	5.4
409.30936	8.5
410.28018	3.6
427.22855	5.1
427.31073	13.7
427.36429	68.1
428.36212	5.3
428.41254	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	427.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91596	3.2
55.05509	24.9
57.07079	15.0
67.05502	35.1
69.07067	53.6
69.10942	11.5
69.11372	13.4
71.05000	4.0
71.08624	5.0
79.05480	22.2
81.07050	56.6
82.07405	4.3
83.08620	26.2
83.86828	2.7
85.06561	4.0
91.05476	21.0
93.07040	48.1
95.04958	6.8
95.08598	100.0
96.08940	7.5
97.06529	7.6
97.10156	13.7
98.23365	3.9
99.08100	4.5
105.07026	39.9
106.07359	3.2
107.08585	52.6
108.08925	4.4
109.06527	3.5
109.10151	44.8
110.10487	6.0
111.08067	21.5
111.11732	6.1
117.07028	6.2
119.08585	38.5
121.06477	3.1
121.10144	47.5
123.08078	4.2
123.11710	14.6
125.09690	3.4
129.09100	7.6
131.08566	12.3
133.10109	35.4
135.08086	3.0
135.11674	33.7
136.11964	4.3
137.09624	8.6
137.13251	10.0
139.11105	2.8
143.08560	4.5
145.10085	21.9
147.11682	27.3
148.11928	3.3
149.09592	3.3
149.13252	23.8
151.11194	3.7
157.10114	7.8
159.11674	20.3
161.09679	3.2
161.13277	17.1
162.13651	3.9
163.11185	4.6
163.14848	21.8
167.10744	3.5
171.11705	5.7
173.13220	15.6
175.14871	13.0
176.15282	2.9
177.16428	12.2
179.14383	5.3
181.12251	2.9
185.13354	4.9
187.11238	2.8
187.14815	19.3
189.16367	27.0
191.17998	11.2
193.15732	4.2
197.13339	2.8
199.14784	5.8
201.16371	17.5
203.17996	19.1
205.15894	5.0
207.17441	24.1
213.16328	3.8
215.17966	9.7
217.16025	3.5
217.19557	6.2
219.17436	3.4
227.17940	4.3
228.18640	2.7
229.19502	8.1
243.21223	3.4
245.22523	3.0
246.82079	2.9
255.21088	4.6
391.33786	6.0
408.22876	3.2
409.35144	19.1
427.36160	73.9
428.36035	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	427.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05555	2.4
55.05519	27.7
57.03417	3.1
57.07067	13.5
67.05509	37.9
69.07064	36.1
69.72801	17.3
71.04983	6.3
71.08641	4.3
79.05500	28.4
81.07056	77.9
82.07370	6.0
83.04988	5.8
83.08629	17.5
85.06543	8.5
91.05476	27.0
93.07044	63.6
94.07365	6.1
95.04957	6.9
95.08607	100.0
95.09206	5.8
96.08945	3.1
97.06537	10.0
97.10174	9.7
99.08109	7.9
104.07111	4.3
105.07024	38.1
107.08595	64.9
108.08968	5.1
109.06484	6.0
109.10160	53.5
109.10866	3.5
111.08064	9.0
113.09663	4.6
117.07077	3.5
119.08578	57.0
120.08918	3.9
121.06535	3.7
121.10146	68.5
121.10966	4.5
123.08092	7.8
123.11715	27.1
124.12093	3.1
125.09637	7.7
127.11190	4.3
129.07043	4.2
131.08531	16.2
133.10123	53.8
135.08075	12.1
135.11688	32.7
137.09607	8.0
137.13287	10.9
139.11177	6.0
141.09113	3.5
143.08548	5.7
145.10121	20.7
147.11678	45.5
149.09624	4.4
149.13272	27.1
150.13655	3.4
151.11169	6.9
151.14809	5.0
157.10136	6.9
159.11696	22.2
161.09738	3.3
161.13280	30.8
163.11201	8.9
163.14845	33.1
164.15048	3.6
165.12869	4.5
171.11653	6.5
173.13292	13.7
175.14828	18.4
177.12759	4.2
177.16408	16.1
179.14369	5.7
183.11638	3.1
185.13228	5.5
187.11276	3.6
187.14819	15.8
188.15128	3.3
189.16386	27.9
190.16820	3.4
191.17976	5.3
193.15862	3.8
199.14813	5.5
201.12733	6.0
201.16379	8.4
203.14403	5.9
203.18001	29.1
204.18330	6.9
205.15918	12.6
207.17442	16.5
213.16365	3.5
215.18016	6.1
217.15927	4.1
217.19688	3.3
218.19804	3.7
221.15282	4.4
227.17946	3.7
231.17422	3.1
233.18953	4.2
235.16902	4.0
271.19028	15.4
409.30460	5.9
409.34750	12.6
427.36194	43.8
428.36560	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	427.3572
Annotation	4alpha-formyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol
Peak:m/z	Relative Intensity
55.05515	5.6
57.03438	0.9
57.07078	4.9
59.17978	0.6
65.03929	0.5
65.21577	0.5
67.05509	7.8
69.07066	7.8
71.04996	0.7
71.08634	1.4
71.58719	0.5
79.05488	5.7
79.63406	0.6
79.99363	0.5
81.07059	16.5
82.07410	0.6
83.05013	1.3
83.08630	4.1
85.06538	1.6
85.10207	0.6
90.23113	0.4
91.05477	6.2
93.07045	15.2
95.04983	0.8
95.08606	28.8
97.06533	0.8
97.10180	1.9
99.08090	0.6
104.07127	1.5
105.07024	12.0
107.08595	23.4
108.08865	0.7
109.06515	2.6
109.10156	14.5
109.10895	0.8
110.10525	0.7
111.08083	1.8
111.11737	0.6
117.07034	1.6
119.08576	17.7
121.06518	1.3
121.10144	16.9
121.11000	1.1
122.10522	0.7
123.08076	6.1
123.11713	5.5
125.09663	1.2
127.11195	1.1
129.07024	0.8
131.08557	6.3
132.25240	0.6
133.10124	13.0
134.44093	0.5
135.08099	2.7
135.11691	19.3
136.12025	1.0
137.09647	1.5
137.13257	1.6
143.08539	2.6
145.10124	8.8
147.11688	15.2
149.09625	2.3
149.13257	12.2
151.11197	2.0
151.14955	0.6
157.10149	2.1
159.11681	6.8
161.13251	8.0
162.13708	0.6
163.11162	0.8
163.14813	10.9
165.12744	1.2
169.10135	0.7
171.11705	1.5
173.13234	4.8
173.14326	0.5
175.11098	1.0
175.14824	7.0
177.12773	1.2
177.16385	9.8
179.14302	1.1
185.13300	1.9
187.14838	11.4
189.12717	1.0
189.16382	17.8
190.16750	1.2
191.14395	1.5
191.17941	5.2
193.15840	0.7
199.14839	2.3
201.16386	4.9
203.14369	0.9
203.17947	3.1
205.08575	0.7
205.15887	36.1
206.16231	2.1
207.17447	21.8
208.17773	0.9
211.14720	1.0
213.16440	1.6
215.17979	3.7
217.15942	0.8
217.19518	2.1
219.17436	4.2
223.09590	0.8
223.16936	0.7
227.17949	1.7
229.19414	2.6
231.21208	1.0
233.18968	0.7
235.20749	0.8
241.19527	1.7
243.20999	1.2
255.21085	3.5
259.64114	0.6
269.22852	2.5
273.22214	1.1
275.23724	0.7
279.26874	2.4
287.23749	0.6
307.26425	4.1
313.25137	1.2
324.32590	2.8
331.26257	9.8
331.30170	0.6
332.26505	1.1
351.73911	0.5
357.27731	2.6
391.33411	2.4
409.34750	10.6
410.35550	0.8
427.35751	100.0
428.36060	11.6
428.41409	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18377	0.9
52.93136	1.0
53.03951	2.2
55.05517	7.0
55.20694	1.0
57.07078	3.0
59.05029	1.1
59.82203	0.9
62.99198	1.0
67.05511	10.6
69.03436	2.4
69.07072	9.6
69.20951	8.4
71.04999	1.4
78.81028	0.9
79.05486	7.4
81.03415	2.4
81.07063	20.2
83.04977	1.2
83.08619	7.8
85.06557	1.3
91.05483	7.8
93.07050	19.1
94.07381	1.1
95.04972	2.9
95.08608	35.2
96.08923	1.5
97.06535	2.3
97.10161	3.5
103.05424	1.1
104.07093	1.6
105.07027	18.1
107.04992	1.2
107.08595	36.0
108.08953	1.2
109.06535	4.4
109.10163	21.3
110.10490	1.2
111.08076	2.8
111.11697	1.8
117.07026	2.7
119.06108	1.4
119.08581	24.2
121.06532	3.4
121.10149	27.0
122.10461	1.4
123.08077	3.7
123.11724	9.7
131.08560	9.1
133.10136	18.2
135.08080	9.6
135.11691	20.7
137.09624	3.8
137.13261	3.5
143.08594	1.4
144.09337	1.1
145.10133	17.9
146.10449	1.2
147.11685	11.2
148.12004	1.5
149.09624	5.0
149.13242	6.4
151.11278	1.4
153.12785	1.2
156.94804	1.1
157.10144	1.8
159.11705	11.1
161.13260	9.5
163.11214	1.9
163.14828	6.1
171.11671	2.3
172.12430	1.2
173.13272	5.8
174.69812	1.2
175.14833	5.9
175.67482	1.1
177.16420	12.9
179.14287	9.0
185.13272	2.1
187.14825	15.0
188.15129	1.3
189.16400	5.7
191.14307	24.4
191.18010	3.7
192.14590	1.3
193.15921	1.5
195.81175	1.0
201.16402	4.7
203.14355	3.7
203.17963	4.6
205.15886	82.2
206.16122	4.9
207.17479	2.1
213.16370	1.4
215.17931	2.3
217.19543	2.0
219.17433	4.0
229.19456	1.2
233.18987	2.8
255.21121	1.8
257.22693	2.1
267.21085	1.3
269.22763	1.4
273.22070	2.5
295.24329	1.4
313.25421	3.0
318.37802	1.1
321.26074	1.2
391.15570	1.2
391.33688	2.4
409.34839	7.5
427.24420	4.3
427.35739	100.0
428.36130	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	427.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.6
55.05512	4.3
57.07059	1.9
67.05206	0.7
67.05505	7.7
69.03451	0.7
69.07069	8.1
71.98286	0.6
79.05493	4.7
81.06625	1.1
81.07059	12.4
83.04903	0.7
83.08625	4.5
85.06516	1.1
91.05470	5.3
93.07043	11.4
95.04961	1.6
95.08606	20.2
97.06525	1.7
97.10165	2.1
98.22582	1.3
99.08114	0.8
105.07026	11.6
105.10032	0.6
107.08593	16.3
108.08875	0.7
109.06530	1.4
109.10152	9.7
111.08102	0.9
111.11712	1.0
117.07025	1.5
119.08578	8.9
120.08874	1.0
121.06486	2.5
121.09277	1.0
121.10141	14.9
123.08051	1.2
123.11715	4.4
129.06981	0.7
131.08554	7.9
133.10147	6.3
135.08057	10.9
135.10765	0.8
135.11697	8.8
137.05936	0.8
137.09602	2.0
137.13216	0.8
139.11130	1.2
143.08513	1.4
145.10129	10.9
147.11691	5.2
149.09610	2.3
149.13245	3.8
157.10117	1.3
158.10930	0.7
159.11668	5.9
161.09599	1.0
161.13266	3.1
163.11111	0.8
163.14862	3.0
165.12726	0.7
171.11676	1.0
173.13281	1.9
175.14857	1.5
177.12845	1.1
177.16409	12.4
179.10493	0.7
187.14809	7.8
189.16373	1.7
191.14284	1.4
191.17918	3.5
199.14761	0.9
201.16373	1.6
203.14326	1.7
205.15880	100.0
206.16238	5.0
213.16382	1.0
217.15872	1.3
217.19470	1.2
219.17448	5.9
219.20950	1.5
221.07906	0.8
228.84311	0.8
229.19652	0.8
400.79416	0.6
409.23557	1.1
409.30463	1.0
409.34955	1.4
427.30280	16.8
427.35663	4.1
428.31180	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3571
Annotation	4alpha-formyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol
Peak:m/z	Relative Intensity
55.05513	16.9
57.07073	5.7
60.37387	1.5
65.03963	2.6
67.05502	28.4
68.36862	1.5
69.03436	2.1
69.07072	23.8
70.88564	1.6
71.05003	1.7
79.05489	19.1
81.07057	63.1
83.04974	2.1
83.08611	14.1
85.06567	2.5
87.04462	3.9
91.05487	18.2
93.07052	38.4
95.04952	3.0
95.08606	81.3
96.08925	3.4
97.06574	3.8
97.10191	6.3
98.23434	4.2
105.07026	32.7
107.04956	1.9
107.08588	62.4
109.06514	3.9
109.10161	64.4
110.10527	2.2
111.08090	4.9
111.11704	2.7
117.07025	5.3
119.08579	55.0
121.06505	4.7
121.10147	55.0
123.08067	4.0
123.11703	34.6
125.09660	2.7
131.08572	10.8
133.10129	47.1
134.10486	1.7
135.08081	4.4
135.11697	42.2
137.09604	4.2
137.13237	9.1
139.11234	2.2
142.07784	3.0
143.08609	5.0
145.10097	15.7
147.11696	23.8
149.09599	4.2
149.13255	25.9
151.11192	6.5
151.14830	3.2
157.10091	9.1
159.11693	20.2
160.12206	1.8
161.09621	2.4
161.13260	18.9
163.11212	5.7
163.14801	19.1
165.09125	6.2
165.12918	2.5
171.11662	9.3
173.13258	12.7
175.11235	5.1
175.14796	15.9
177.12810	3.3
177.16341	20.6
179.14378	2.7
179.17970	4.3
183.11699	4.3
184.12381	2.6
185.13248	6.8
187.14818	13.3
189.16408	15.2
191.09654	2.0
191.14314	3.4
191.17987	9.9
193.15961	2.9
197.13327	2.8
199.14903	7.8
201.16455	9.6
203.14378	2.8
203.17946	10.0
205.15880	5.4
205.19574	2.3
207.17447	2.9
213.16360	5.0
215.18062	7.1
217.15953	5.5
217.19501	14.0
219.17471	3.4
221.15370	3.1
225.16583	2.1
227.17947	5.4
228.83299	3.0
229.19601	6.6
231.17499	5.6
231.21104	8.8
235.16997	4.2
241.19548	4.2
243.21088	8.3
245.22765	8.0
249.18547	3.5
255.21179	6.3
257.22626	17.3
259.20538	4.6
259.24222	4.4
269.22574	2.7
271.21500	2.0
271.24179	11.7
277.21625	4.5
285.22202	3.2
289.21509	2.6
295.24057	2.6
303.23178	6.3
309.72354	1.9
391.33502	19.5
405.57132	2.0
409.34766	28.5
410.34937	3.0
427.35764	100.0
428.36197	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3575
Annotation	4alpha-formyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol
Peak:m/z	Relative Intensity
52.66893	0.5
53.03943	1.2
55.05510	6.5
57.07068	2.1
65.03944	0.8
67.05504	11.0
69.03431	0.7
69.07073	9.2
71.04958	0.8
71.08626	0.9
71.31618	0.7
79.05497	7.5
81.07059	19.6
82.07432	0.5
83.04984	1.2
83.08627	6.4
85.06536	3.2
91.05477	8.0
93.07048	20.3
95.04993	1.3
95.08607	33.1
96.08931	1.1
97.06545	1.3
97.10185	2.5
99.08054	1.1
105.07028	17.4
107.08593	34.8
108.08897	1.2
109.06525	2.3
109.10155	18.0
111.08082	2.0
111.11695	0.7
113.09706	0.6
117.07038	1.8
119.08583	23.9
120.08876	1.1
121.06512	1.5
121.10145	21.8
122.10492	0.9
123.08064	6.2
123.11697	6.3
125.09578	0.8
127.11221	1.0
129.07010	0.8
131.08560	8.8
133.10123	18.4
134.10512	0.7
135.08102	2.8
135.11696	21.4
137.09619	2.3
137.13277	2.0
143.08566	3.1
145.10123	12.6
147.11684	17.6
148.12015	0.8
149.09628	1.5
149.13254	12.1
150.13582	0.6
151.11195	2.2
151.14787	0.6
157.10104	3.3
158.10857	0.5
159.11694	8.8
161.13271	10.1
162.13649	1.1
163.11243	1.1
163.14822	10.8
165.12733	1.3
167.10728	0.9
169.10072	0.6
171.11729	2.1
172.12422	0.8
173.13249	6.0
175.11201	1.2
175.14833	5.6
177.12762	1.8
177.16391	7.3
178.16849	0.9
179.14330	1.1
183.11711	0.8
185.13304	2.2
187.14818	12.0
188.15179	0.8
189.12828	0.9
189.16383	23.1
190.16661	1.3
191.14455	1.3
191.17935	6.5
197.13327	0.6
199.14836	2.0
201.16368	8.2
203.14291	0.7
203.17986	5.7
205.15877	35.7
206.16205	2.6
207.17451	21.8
208.17799	1.0
213.16441	2.3
215.18005	4.6
217.19572	3.4
219.17450	5.3
221.18999	0.7
225.16495	1.1
227.17969	1.8
229.19533	2.7
231.17464	0.6
235.20532	0.9
241.19504	2.1
243.21060	0.6
249.18581	0.9
253.19600	0.9
255.21046	3.7
259.20493	0.6
267.20990	1.0
269.22659	2.5
273.22266	1.0
275.23843	0.6
287.23581	0.9
291.23254	1.0
295.24203	0.7
313.25400	1.1
331.26318	10.2
332.26852	0.7
357.27869	3.4
391.33484	2.2
409.34781	12.3
410.35178	1.1
427.35745	100.0
428.36096	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	427.3572
Annotation	4alpha-formyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol
Peak:m/z	Relative Intensity
55.05510	26.3
57.07065	25.0
63.32362	7.5
67.05508	45.5
69.07072	51.3
69.80444	24.4
69.80849	13.3
79.05480	23.8
81.07056	84.0
83.08625	27.1
88.04536	8.5
91.05489	17.7
93.07034	43.1
95.05013	9.6
95.08590	100.0
96.83409	7.4
97.10186	17.9
101.11852	9.4
104.09690	7.7
105.07033	34.7
105.95753	7.5
107.08577	85.6
109.10160	92.7
119.08581	52.1
121.06475	11.6
121.10152	73.7
123.11709	36.4
126.40910	8.1
131.08537	13.8
133.10121	43.9
135.11710	41.4
145.10135	23.4
145.43015	8.6
147.11681	31.7
149.09631	12.0
149.13280	38.8
157.10107	16.2
159.11688	23.4
161.13272	26.3
163.14851	24.1
165.09148	29.3
171.11714	8.7
175.14842	20.2
177.16347	52.3
178.16753	8.4
185.13258	13.1
187.14870	13.6
189.16408	22.8
191.17909	18.4
199.14874	10.6
201.16420	10.1
203.18013	13.6
205.15804	9.9
215.18071	16.3
217.19489	13.8
231.17485	8.5
231.21027	11.9
303.01163	8.3
391.33435	14.2
409.34622	32.8
427.35907	97.1
428.36118	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	427.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.3
54.00545	1.1
55.01874	1.7
55.05505	9.5
57.07075	8.6
62.54550	1.1
65.03941	1.7
66.45615	1.0
67.05506	22.2
68.13601	0.9
69.03427	1.8
69.07072	17.6
70.56930	2.4
71.04994	3.6
71.08649	2.5
79.05493	13.2
81.07056	79.0
82.07388	2.1
83.04982	2.8
83.08632	7.4
85.06544	1.3
87.04489	1.6
91.05464	12.4
93.07046	23.5
95.04935	1.7
95.08604	100.0
96.08948	2.5
97.06570	1.7
97.10166	4.6
99.08067	2.0
105.07021	21.6
107.08589	24.4
109.06517	1.4
109.10158	28.8
111.08070	1.2
111.11709	2.5
114.97262	1.2
116.06200	1.7
117.07008	7.4
119.04956	1.4
119.08577	16.5
121.06506	2.8
121.10135	18.7
123.08085	1.8
123.11711	22.6
123.12547	2.0
124.12115	1.2
125.09650	1.5
129.06998	2.9
130.07791	2.4
131.08577	11.7
133.10127	16.6
135.08080	2.9
135.11684	13.5
137.06020	1.7
137.09604	1.1
137.13251	62.3
138.13585	2.7
139.11249	1.3
142.07787	1.4
143.08528	5.5
144.09335	3.4
145.10127	17.2
147.08026	1.4
147.11694	10.8
149.09653	1.9
149.13284	12.7
151.07523	1.3
151.14799	4.1
153.05466	1.8
155.08571	1.4
157.10129	7.7
158.10898	1.5
159.07982	1.6
159.11697	43.7
160.12032	2.6
161.09586	1.3
161.13214	8.1
163.07568	2.3
163.14813	8.2
165.09068	1.1
167.03438	1.2
167.07024	1.5
169.05063	1.1
169.10155	2.5
171.11690	5.8
173.06038	1.6
173.09648	1.6
173.13254	8.6
175.07573	2.2
175.11221	1.2
175.14806	5.9
177.16365	3.9
181.08604	1.2
183.06529	1.5
183.11781	2.0
185.13252	5.1
187.07565	1.1
187.11168	2.2
187.14812	9.7
189.16391	7.6
191.07095	5.2
191.14345	2.1
191.16478	1.1
191.17911	6.2
193.08594	1.9
193.12314	1.0
193.19528	2.1
197.13245	1.8
199.14812	4.3
201.12680	1.2
201.16379	26.2
202.16809	1.6
203.14325	2.1
203.17949	3.4
205.08565	5.5
205.15913	3.6
205.19527	2.3
207.06583	2.1
207.17506	1.3
209.08163	3.1
209.15533	1.3
210.13901	1.4
211.14828	2.4
213.16440	3.3
215.17908	2.4
217.15855	3.2
217.19576	2.8
219.10081	2.3
219.13879	1.2
219.17578	1.5
221.08105	6.4
223.09628	1.8
225.07596	2.5
227.09021	2.4
229.15965	1.7
229.19559	2.7
231.21100	2.1
233.11819	1.6
239.09097	2.1
241.19487	6.0
243.10269	2.1
253.19551	2.3
255.21054	2.1
257.11694	1.2
257.19064	1.4
259.20560	7.1
261.11227	6.9
263.09183	1.7
271.20581	1.8
273.22263	1.4
275.12820	1.4
277.21622	3.2
291.23154	1.4
329.17551	1.4
339.19528	1.8
349.18039	1.5
367.18933	3.8
371.31400	1.4
391.22681	1.8
391.33701	5.1
409.23605	7.3
409.29715	1.5
409.35364	5.4
410.24319	1.7
427.19485	1.8
427.24783	20.2
427.35941	25.1
428.25070	4.1
428.35898	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71627	0.7
55.05510	12.1
57.07084	6.3
60.33839	0.9
62.19698	0.7
67.05511	7.4
69.03432	1.3
69.07069	32.0
71.08620	3.2
79.05490	4.3
81.07057	13.2
83.04984	1.3
83.08607	9.9
85.10149	1.3
91.05482	2.8
93.07050	5.4
95.05014	1.2
95.08598	14.9
97.10140	5.4
98.22578	1.6
105.07008	2.6
107.08585	7.0
109.06518	0.8
109.10147	10.8
111.11720	3.2
115.05460	0.8
117.07021	0.9
119.08583	6.3
121.06460	1.0
121.10145	7.2
122.07308	1.5
123.11695	2.7
125.13274	1.4
129.07011	0.8
131.08585	2.1
133.10112	3.0
135.08067	4.0
135.11650	2.4
137.06071	0.9
137.09612	11.7
137.13246	1.6
139.07582	1.0
145.10112	3.4
147.11662	1.8
149.09607	11.1
149.13245	2.2
151.07545	2.1
153.13843	0.9
157.10075	1.6
159.07933	0.8
159.11681	2.4
161.09621	1.4
161.13206	1.8
163.07500	2.2
163.11172	7.0
163.14835	0.9
165.09117	100.0
166.09470	3.8
173.09613	1.7
173.13245	1.5
175.07585	3.0
175.11165	3.3
176.08350	1.2
177.09074	7.0
177.12717	1.7
179.10683	2.1
185.13287	0.9
187.11174	2.1
187.14870	1.8
189.09079	4.0
189.12750	1.7
190.10001	1.1
191.10660	8.8
201.12801	1.9
201.16399	1.1
203.10695	7.9
203.14383	1.8
205.08670	1.0
205.12222	10.4
205.15764	1.3
217.12245	1.9
219.13756	2.7
229.00560	0.9
231.13817	2.1
345.27490	1.2
399.32492	1.6
409.30630	0.9
412.33325	1.3
427.15833	1.5
427.36044	10.6
428.35599	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3935
Annotation	(13E,17E)-Polypoda-7,13,17,21-tetraen-3beta-ol
Peak:m/z	Relative Intensity
55.05505	30.3
57.07075	20.5
61.43587	3.8
67.05502	27.8
69.07069	74.2
69.57137	11.4
69.57565	11.8
71.04993	9.7
71.08630	4.8
79.05499	15.7
81.07057	89.4
83.08614	38.4
85.06534	73.1
91.05470	17.1
93.07039	43.9
95.08603	100.0
96.08931	6.5
97.10171	21.3
99.08079	4.7
105.07037	31.9
107.08591	42.3
109.10146	57.2
111.11732	8.9
119.08572	38.4
120.57199	3.6
121.10152	44.2
123.11687	38.9
131.08560	16.0
133.10118	33.4
135.11681	33.4
137.13257	12.3
145.10092	23.6
147.11673	39.5
149.13255	33.4
158.10904	4.4
159.11694	21.4
161.13248	23.4
163.14859	12.8
164.15131	4.0
164.49026	3.5
165.09175	4.8
171.11644	3.9
173.13213	19.5
175.14775	19.5
177.16423	8.7
187.14864	18.2
187.24373	3.8
187.74013	3.6
189.16376	17.0
191.18018	6.9
201.16371	6.3
203.17989	14.6
205.19420	3.7
215.17944	10.3
217.19492	4.7
227.17880	4.6
229.19496	27.7
231.21141	29.4
243.20926	5.2
247.16808	3.6
257.22638	9.1
259.24222	5.1
271.24191	20.8
285.25705	17.0
313.51581	4.6
427.39600	75.1
428.39767	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	428.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84695	4.4
55.05514	9.7
57.03440	7.0
61.02926	9.2
69.03415	31.5
69.07066	18.9
70.06624	7.3
71.31979	7.9
73.02877	8.1
81.03406	13.4
81.07063	8.3
83.04980	10.3
85.02905	100.0
85.06551	5.3
85.73423	6.0
93.07011	8.4
95.08601	5.5
97.02882	20.1
99.04415	8.9
99.54376	6.0
101.02386	6.0
105.03397	7.2
109.02866	20.3
109.06505	7.0
114.81159	5.6
115.03932	11.7
121.02790	9.0
123.04423	18.9
124.04915	5.4
127.03949	31.7
129.01794	6.8
133.04955	6.2
137.06006	7.8
139.03870	26.2
140.04297	10.1
145.04948	49.0
145.10182	7.5
147.04471	6.9
150.07736	46.1
151.08063	20.4
153.01849	6.2
163.03883	9.6
163.06026	28.7
167.05550	9.6
172.36752	6.6
175.03760	7.1
191.03380	7.2
193.05194	7.1
196.19637	6.5
248.12874	6.3
258.04825	9.3
266.13895	20.1
267.04990	14.0
276.05768	7.6
287.05490	11.8
288.05728	11.5
299.10147	7.7
337.96814	5.6
346.88788	6.2
359.02774	9.8
385.14584	12.7
410.09464	9.1
428.14941	14.7
428.19919	25.7
429.16748	25.9
429.21094	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	428.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.3
55.01862	1.9
55.47987	0.9
57.03438	5.1
61.02924	10.7
61.26101	0.9
69.03424	17.1
69.07066	9.7
70.64236	1.5
70.64581	2.3
71.04995	2.0
71.33831	0.9
73.02898	2.9
79.05506	1.6
81.03429	5.4
81.07058	3.9
85.02904	100.0
85.06569	1.0
86.03251	1.6
87.04443	1.7
91.03973	4.9
93.07053	1.6
95.08594	1.4
97.02891	25.9
97.06514	2.7
99.04439	4.6
101.02424	1.1
103.03960	1.2
109.02870	8.4
111.08086	4.4
127.03918	23.7
131.08533	1.9
133.04953	1.1
135.08087	1.2
137.09564	1.2
145.04959	47.3
153.01889	1.7
153.09146	2.1
159.07936	1.8
163.06015	30.3
165.09192	1.4
175.06100	1.0
177.09062	2.4
183.10046	1.6
195.10194	5.7
213.11137	5.1
231.12062	1.5
325.11417	1.2
428.15793	5.1
429.11380	3.2
429.16510	4.2
429.21902	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	4.1
61.02926	1.9
62.63206	1.2
69.03425	13.7
69.07155	3.5
69.07581	9.0
73.04752	1.4
79.63912	1.3
81.03431	1.3
85.02901	20.7
87.04470	17.6
91.05462	3.7
97.02898	14.1
115.03945	14.4
120.32561	1.2
121.02863	2.0
122.57838	1.4
127.03921	4.7
129.44214	1.2
133.04955	16.4
139.03893	1.9
145.04941	9.5
150.07605	1.3
163.05974	2.3
185.04248	8.2
189.05237	3.8
204.07578	12.1
232.07060	1.5
266.05496	2.7
267.06308	6.4
268.20627	1.3
399.14169	6.8
411.13943	1.5
429.10910	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45665	1.9
55.05516	2.0
57.01755	2.3
57.03432	12.1
61.02923	3.6
69.03426	8.0
71.01343	3.2
71.04995	68.3
71.16332	3.9
73.02915	3.1
75.04475	4.9
81.03406	3.3
83.04988	8.1
85.02905	100.0
85.03422	5.0
87.04471	4.1
92.50159	1.9
95.04969	2.2
97.02899	6.6
99.04446	2.3
103.03960	2.0
109.02865	3.1
111.04448	7.3
111.51298	2.2
121.02897	4.6
127.03910	6.1
129.05473	40.4
145.04979	7.1
146.08189	2.2
147.06503	24.3
163.06026	5.0
164.09195	3.7
190.61952	2.1
221.53709	2.0
266.13882	30.2
297.74356	2.1
410.31857	2.4
414.64081	2.3
428.19327	12.1
429.16409	39.1
429.21667	11.8
431.08005	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	428.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45665	1.9
55.05516	2.0
57.01755	2.3
57.03432	12.1
61.02923	3.6
69.03426	8.0
71.01343	3.2
71.04995	68.3
71.16332	3.9
73.02915	3.1
75.04475	4.9
81.03406	3.3
83.04988	8.1
85.02905	100.0
85.03422	5.0
87.04471	4.1
92.50159	1.9
95.04969	2.2
97.02899	6.6
99.04446	2.3
103.03960	2.0
109.02865	3.1
111.04448	7.3
111.51298	2.2
121.02897	4.6
127.03910	6.1
129.05473	40.4
145.04979	7.1
146.08189	2.2
147.06503	24.3
163.06026	5.0
164.09195	3.7
190.61952	2.1
221.53709	2.0
266.13882	30.2
297.74356	2.1
410.31857	2.4
414.64081	2.3
428.19327	12.1
429.16409	39.1
429.21667	11.8
431.08005	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	428.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74886	1.9
55.01855	2.1
55.05501	3.3
57.03438	22.8
58.06676	2.0
59.05012	2.8
61.02928	9.7
65.66174	2.3
67.05500	3.0
69.03071	3.1
69.03430	50.4
71.05009	3.3
73.02917	24.5
79.05495	2.4
81.03422	7.4
81.07075	4.2
85.02902	100.0
87.04476	18.9
91.03948	2.4
91.05437	2.3
93.07040	5.8
95.05004	3.2
95.08623	5.3
97.02885	51.1
97.03499	3.7
99.04458	4.9
105.07034	3.4
107.08607	5.8
109.02893	7.0
109.06509	3.0
109.10124	2.0
115.03934	43.5
119.08581	4.1
121.06528	2.6
121.10152	4.3
123.04378	2.2
127.03917	23.9
133.04968	36.6
133.10141	2.2
137.05977	3.7
145.04979	44.0
146.06004	7.1
150.07645	2.4
151.03928	2.5
163.06033	20.8
165.09070	2.5
171.96066	2.5
232.07126	3.8
247.13428	2.2
320.19656	3.3
428.19553	7.2
429.15906	4.7
429.20868	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	428.249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.8
55.01854	2.8
57.03439	23.5
57.66525	2.0
58.69825	2.0
61.02918	7.2
69.03076	3.0
69.03430	49.6
71.01349	2.8
73.02912	35.7
81.03409	7.1
81.07030	2.5
85.02900	100.0
87.04456	26.7
91.03935	4.8
93.06999	2.4
97.02890	53.9
99.04475	4.6
109.02866	7.3
109.10180	2.9
111.04453	2.1
115.03931	48.8
119.08578	2.2
121.10164	2.2
123.11675	2.5
127.03923	26.1
133.04955	36.8
133.10168	2.7
145.04958	49.8
150.07600	7.6
162.05434	2.7
163.06007	17.7
176.08647	2.1
179.44789	2.4
184.44012	1.9
223.05977	3.0
429.19312	2.2
429.25873	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77374	2.1
55.01877	2.8
55.05532	2.2
57.03432	20.7
57.07093	2.0
59.04996	2.7
61.02930	7.0
67.05544	2.5
69.03429	47.5
71.05020	3.4
71.32074	2.9
71.98348	1.9
73.02920	28.5
77.71547	2.3
79.05473	3.2
81.03420	7.3
81.07052	4.2
85.02908	100.0
87.04468	22.1
91.03917	2.4
93.07059	5.3
95.08611	3.9
97.02890	54.4
97.03487	3.3
99.04466	5.8
105.07012	3.2
107.08604	4.0
109.02888	6.8
109.10166	2.6
114.82411	2.1
115.03931	43.5
119.08643	3.9
121.02888	2.5
121.10155	4.1
123.04477	3.0
123.99615	2.4
127.03899	23.9
133.04974	34.4
133.10136	3.5
135.11749	2.5
145.04967	46.6
145.10120	2.9
146.06067	2.3
150.07651	3.7
163.06023	21.3
173.09639	2.3
183.87468	2.4
221.46121	2.2
267.15591	1.9
297.07565	2.6
350.30972	2.1
353.80942	2.1
391.48703	2.0
428.19681	9.4
429.16437	3.1
429.20825	16.3
429.26230	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	428.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.3
55.05507	15.1
57.03432	1.9
57.07069	5.9
58.06604	1.1
59.05013	1.4
59.85252	1.0
67.05500	25.3
67.05851	1.9
69.07067	16.9
70.48928	2.8
71.05001	5.3
71.08636	3.1
77.05630	1.3
79.05488	7.9
81.07053	38.1
82.07395	1.4
83.04993	2.5
83.08614	18.5
85.06553	1.8
85.10171	1.7
90.23186	1.0
91.05456	6.8
93.07045	18.0
94.07376	1.3
95.04965	1.4
95.08600	49.1
96.08927	1.8
97.06514	3.7
97.10166	10.7
99.08085	1.5
102.05555	4.5
104.07099	100.0
105.06946	5.5
106.07358	1.3
107.08585	12.6
109.10150	27.3
109.10871	1.9
110.10494	2.0
111.08062	3.8
111.11723	3.3
117.07056	1.4
119.08597	6.4
120.08913	1.2
121.10125	10.6
123.11697	11.2
124.08408	1.0
131.08559	3.9
133.10133	5.7
134.10405	1.4
135.11670	18.0
136.12064	1.7
137.09633	1.3
137.13264	2.5
145.10153	2.7
147.11699	2.3
149.13210	7.0
151.14796	2.0
159.11713	1.9
161.13234	1.3
163.14783	2.8
165.16399	2.8
171.11632	1.3
171.13817	5.0
173.13223	2.1
177.12727	1.3
177.16386	1.3
179.17921	1.7
183.17429	4.5
185.13251	1.4
185.26985	1.1
189.16432	2.3
197.19000	1.6
203.18022	1.3
212.20226	1.2
231.21089	2.0
237.60458	1.0
261.25714	15.0
262.26251	1.0
267.68137	1.3
279.26730	6.3
285.58365	1.0
289.25229	5.8
295.31848	1.2
307.26260	14.2
325.27319	1.8
350.30615	2.2
378.30142	1.9
396.31400	1.8
410.32581	21.5
411.33072	1.8
428.32324	3.1
428.37234	1.6
429.23010	1.6
429.29337	2.3
429.34241	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30484	0.6
53.03939	0.8
54.47721	0.6
55.05263	0.9
55.05508	14.3
56.86144	0.6
57.03437	1.9
57.07075	4.3
58.06599	1.2
59.04987	1.9
65.03931	0.7
67.05502	20.2
69.03430	0.8
69.07063	13.3
69.51327	4.0
71.04995	5.2
71.08633	2.0
79.05490	7.8
81.07056	41.6
82.07410	1.2
83.08121	1.3
83.08617	21.0
85.06538	2.6
85.10172	1.3
91.05473	3.9
93.07043	15.7
95.08603	31.9
96.08958	1.3
97.06520	0.6
97.10170	11.7
98.22667	1.4
99.08076	1.4
102.05527	4.7
104.07101	100.0
105.06950	3.7
107.08590	8.8
109.06536	1.0
109.10149	21.5
110.10494	0.8
111.08088	2.4
111.11736	2.1
113.09604	0.6
119.08579	2.7
120.88287	0.6
121.10152	10.3
122.10458	0.8
123.08151	0.7
123.11703	14.1
123.12537	1.1
123.41397	0.7
125.09601	2.1
131.08566	1.1
132.45894	0.6
133.10121	5.9
135.08041	1.0
135.11684	11.9
136.12038	0.7
137.09618	1.1
137.13240	2.3
145.10121	1.2
147.11664	1.5
149.09607	1.3
149.13219	7.2
151.14819	0.9
159.11700	0.9
161.13274	0.9
163.07532	1.0
163.14821	2.4
165.16379	3.2
173.09787	0.7
173.13287	0.9
175.14827	1.2
177.09195	1.0
177.16399	1.1
179.17978	1.9
183.17409	3.9
187.13283	4.3
187.14804	1.1
189.09099	1.4
191.07043	1.8
191.14320	0.9
191.18105	0.8
192.07892	1.1
193.08533	0.8
197.18990	2.1
205.08626	2.2
212.16530	1.6
216.14447	0.7
219.10159	1.1
219.17395	0.7
241.08763	0.9
242.21153	0.8
243.10161	1.0
245.11787	1.2
257.11658	1.5
261.11276	0.9
261.25784	15.6
269.11807	2.0
271.13293	0.9
273.11386	1.0
275.13052	0.8
279.10214	0.7
279.26810	8.4
281.11813	2.5
281.28372	1.6
283.13269	0.8
285.07532	0.9
287.12881	0.9
288.13620	0.9
289.25244	4.5
297.11203	5.0
297.14493	1.5
299.12772	3.2
307.13437	2.0
307.26285	13.9
308.26685	0.9
309.14838	2.4
310.11990	0.9
315.12213	10.9
323.16528	0.8
325.14236	2.4
325.17706	1.2
325.27362	1.9
327.15863	4.9
338.11353	1.6
341.17499	1.6
342.18362	1.5
343.15363	4.6
343.19110	2.2
344.16092	1.0
350.30435	4.5
353.13660	1.6
358.17743	1.4
359.18710	1.0
369.16745	1.1
371.14868	3.6
378.30057	3.4
385.23828	1.2
387.21735	1.0
396.30887	1.3
401.23190	7.5
410.32623	24.0
411.21503	1.6
411.32904	2.5
428.34756	1.3
429.22714	81.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.8
54.46297	0.6
55.05505	10.6
57.03436	18.6
57.07072	4.3
58.06593	1.2
65.03951	1.0
67.05504	21.5
69.03422	0.8
69.07065	14.3
70.55077	0.6
71.04974	2.0
71.08621	2.6
76.30988	0.6
79.05489	9.5
81.07052	29.3
82.07355	0.9
83.01352	0.8
83.04958	2.0
83.08618	10.4
85.06540	2.9
88.85354	0.7
90.51358	0.6
90.60714	0.8
90.64599	0.6
91.05455	3.7
93.07037	12.9
95.04969	1.2
95.08600	38.1
96.08942	1.0
97.06547	1.8
97.10168	8.8
99.08098	2.2
102.05530	5.8
102.82729	0.7
104.07099	100.0
105.06945	4.1
107.08591	9.6
109.06538	1.4
109.10152	18.5
110.68066	0.6
111.08068	3.1
111.11725	3.3
112.65550	0.7
113.09625	0.7
117.07029	1.4
119.08579	3.3
121.06504	1.2
121.10140	11.3
123.08038	1.1
123.11691	6.3
125.09615	1.2
133.10173	3.8
135.08015	1.2
135.11674	9.5
136.12006	1.2
137.09613	1.3
137.13231	2.3
145.10092	2.4
147.11678	1.9
149.09633	2.3
149.13234	9.8
151.14828	2.5
153.12770	1.3
159.11722	1.4
160.91104	0.7
161.13159	0.7
163.14827	2.9
165.16428	2.4
169.15862	5.4
171.11568	0.8
171.13817	4.4
173.13373	1.1
176.08421	0.8
177.09166	1.1
177.16483	1.3
183.17358	3.6
185.04227	0.7
187.14836	1.1
189.09169	1.0
189.16359	0.7
191.07021	2.8
191.14333	0.8
191.17993	0.8
192.07829	1.9
203.10631	0.9
205.08583	3.5
212.20045	0.8
217.19550	1.6
218.59590	0.7
219.10277	1.0
221.08057	0.7
223.09688	0.7
229.08551	0.9
231.21072	1.6
233.22636	1.5
235.20609	2.4
241.12183	1.0
243.10172	1.3
245.08023	1.3
245.11740	1.2
247.13130	1.2
255.10149	1.9
257.11664	1.5
261.11325	1.1
261.25748	18.1
262.26099	1.6
263.27322	1.0
269.11685	2.6
271.24509	1.3
273.11386	0.9
275.12686	1.0
279.10126	1.1
279.26831	8.7
281.11752	2.8
281.28268	1.4
282.08853	0.7
282.12469	0.9
283.09903	0.7
283.13281	0.9
287.12909	0.9
289.25177	8.1
293.11636	1.3
297.11240	6.7
299.12811	4.2
307.13315	1.8
307.26321	11.7
309.14822	2.5
310.11908	1.3
311.12875	0.7
315.12271	12.9
323.16101	1.6
325.14301	2.7
325.18045	2.6
325.27274	0.9
327.15857	7.0
335.12564	0.9
338.11374	1.8
341.17352	1.3
342.18341	1.7
343.11557	1.1
343.15363	6.4
343.19070	3.0
350.30478	3.3
353.13748	1.5
358.17728	2.2
359.18350	1.2
367.22412	1.3
368.16107	0.7
371.14700	5.6
378.30026	2.2
385.16333	1.6
385.23669	1.8
387.21869	1.0
396.31256	0.9
401.23230	9.7
410.32587	15.9
411.21579	1.3
411.32858	2.4
428.32803	1.5
429.22702	86.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73800	0.8
53.03953	1.1
54.02833	0.8
55.05510	7.1
55.21978	0.8
56.12974	0.7
57.03433	4.6
57.07080	3.7
58.73864	0.7
65.03928	1.0
67.05507	19.3
69.03403	1.2
69.07068	13.5
69.61151	2.5
69.61556	1.6
71.04592	1.0
71.04990	20.1
71.08627	2.1
79.05489	8.1
81.07057	28.8
82.07382	0.9
83.04973	1.4
83.08620	7.2
85.06535	0.9
91.05483	3.5
93.07047	11.0
95.04952	1.2
95.08607	28.6
95.09212	1.8
96.08956	1.2
97.06548	1.3
97.10172	5.4
99.08091	2.6
102.05547	2.9
103.31377	0.7
104.07104	74.0
105.06944	3.6
107.08595	7.6
109.06528	7.5
109.10156	12.8
111.08120	1.4
111.11709	4.2
113.05988	0.8
117.07033	1.0
119.08532	4.0
121.06536	1.0
121.10146	9.7
123.08089	1.4
123.11713	6.2
125.09659	1.3
125.13288	2.7
131.08591	2.9
133.10118	4.2
135.08069	2.1
135.11734	7.1
137.09657	1.2
137.13229	3.7
142.48483	0.7
145.10120	2.0
147.11687	1.8
149.09613	3.3
149.13223	3.7
151.14839	2.5
153.12779	3.0
155.14314	3.2
157.10155	0.9
159.11705	2.1
163.07529	0.9
163.14832	3.1
169.15880	6.2
171.13644	0.8
173.13330	1.6
175.07539	1.1
177.09135	1.4
177.12741	2.2
177.16447	2.3
181.27721	0.8
187.07576	1.0
189.09196	1.5
191.07030	3.3
191.14301	1.6
191.17957	1.6
192.07864	3.8
193.08592	1.0
201.16367	1.2
205.08580	4.8
205.19627	1.1
213.09129	1.3
214.32930	0.7
217.08641	1.0
217.12286	1.2
219.10219	1.4
219.21106	0.9
221.18974	5.3
223.09679	1.3
226.09953	0.8
227.10670	0.9
228.96683	0.8
229.08572	1.7
241.08624	1.4
243.10223	2.5
245.07936	0.9
247.13287	2.2
255.10190	1.3
256.10974	0.9
257.11728	2.2
261.11108	1.0
261.25754	15.4
262.26025	1.4
263.27386	1.0
267.10074	1.2
269.11758	3.9
271.13263	1.8
273.11270	2.0
275.12787	1.2
279.10172	1.5
279.26834	8.2
280.27298	1.3
281.11716	4.4
281.28421	1.9
282.08829	1.5
283.13443	1.2
285.07553	1.0
287.12939	0.9
289.25308	5.0
293.11774	1.8
297.11273	10.5
297.14511	1.7
299.12866	6.9
299.16122	1.2
307.13281	2.9
307.26294	10.4
308.26645	1.2
309.14902	2.6
310.11899	1.9
311.12781	1.2
315.12302	18.3
315.15497	0.9
325.14331	5.1
325.17969	4.0
327.12433	1.3
327.15933	11.3
332.26840	1.1
338.11411	2.2
341.17569	3.0
342.18198	1.9
342.74789	0.9
343.15375	9.4
343.19101	3.2
344.16129	0.8
350.30597	5.0
353.13770	4.7
358.17719	2.7
359.18478	2.2
367.15936	1.0
367.22720	1.5
371.14847	6.5
378.29956	5.0
383.29410	1.0
385.16324	1.6
385.23898	2.3
401.23218	12.8
410.32584	18.0
411.21548	1.6
411.32849	2.3
428.35956	2.5
429.22723	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.6
55.05510	12.0
57.03440	19.9
57.07077	5.5
58.06596	0.9
65.03961	0.8
67.05503	29.0
69.07068	21.2
69.23221	5.8
71.04987	2.4
71.08635	2.2
79.05496	11.9
80.05811	0.7
81.07056	48.2
82.07391	1.2
83.04975	1.8
83.08613	11.2
85.06528	4.5
85.10214	0.8
91.05476	4.1
93.07045	17.2
94.07391	1.0
95.04953	1.7
95.08602	38.6
96.08958	1.8
97.06573	3.7
97.10178	8.7
98.23389	1.2
99.08072	1.5
102.05554	4.1
103.44742	0.7
104.07106	100.0
105.06966	5.3
107.08591	13.1
108.08914	1.0
109.06511	1.7
109.10157	19.2
110.10456	0.8
111.08086	1.4
111.11777	3.6
111.12412	0.8
113.09641	1.4
116.03456	0.7
119.08589	3.6
121.10139	11.0
123.08000	1.1
123.11705	23.6
125.09626	2.6
131.08569	2.3
133.10098	4.5
135.08055	0.8
135.11697	11.9
137.09622	1.0
137.13257	2.0
139.11162	1.1
145.10136	2.1
147.11694	1.6
149.09621	2.0
149.13246	8.2
151.11179	1.6
151.14827	2.3
152.61203	0.6
153.12767	3.2
159.11636	1.1
161.13268	1.1
163.14845	4.3
165.16397	2.0
169.12164	0.9
169.15872	4.9
170.16231	0.8
173.13286	1.3
175.14853	1.5
177.09193	1.6
177.16385	1.5
183.17418	4.0
187.13275	1.0
187.14801	1.0
189.16383	1.4
191.07054	2.6
191.14317	0.9
191.17943	2.3
192.07854	1.9
193.08623	0.8
205.08611	3.1
205.12158	0.7
207.17387	0.8
211.09616	1.2
212.16411	1.5
223.09666	0.8
226.10033	0.9
229.08617	0.9
243.10210	1.7
247.13351	1.0
253.12416	1.4
256.11005	0.9
257.11795	1.4
261.11288	1.2
261.25775	18.2
262.26193	1.1
263.27310	0.8
269.11749	3.2
271.24310	0.9
273.11157	1.6
275.12720	1.0
279.26797	7.7
280.27133	1.0
281.11737	3.1
281.28436	2.0
282.08987	1.2
289.25165	5.4
297.11237	5.1
297.14551	1.4
299.12756	2.9
307.13190	2.2
307.26334	13.5
308.26566	1.0
309.14905	1.8
315.12286	9.4
323.16602	0.8
325.14365	2.9
325.18030	2.3
327.15958	5.4
329.17700	0.9
338.11478	2.1
341.17532	1.2
342.18295	2.2
343.11606	1.2
343.15390	4.8
343.19016	1.5
350.30533	9.5
351.31088	1.0
353.13516	1.7
358.17767	1.3
359.18539	0.9
367.22794	1.1
371.14975	4.3
378.30060	4.7
385.16522	0.9
385.23608	2.1
387.21591	1.2
396.30850	1.3
401.23334	6.4
410.32611	21.6
411.21603	1.4
411.32904	3.3
428.33411	3.2
429.22726	79.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	11.8
57.03432	4.4
57.07080	5.8
65.03923	1.1
67.05506	44.8
68.90205	1.1
69.07070	19.0
69.15574	6.7
69.15997	3.1
71.04998	26.5
71.08637	1.9
79.05488	13.8
81.07058	73.2
82.07365	2.1
83.08621	10.7
89.06014	1.1
91.05470	4.4
93.07043	11.1
93.72157	1.2
95.04929	1.2
95.08607	42.4
96.08915	1.7
97.10166	4.7
98.22616	2.2
99.08099	5.6
102.05543	3.5
104.07109	100.0
105.07016	3.5
107.08585	10.6
109.06533	1.5
109.10158	17.2
110.10462	1.5
111.11732	5.8
113.09642	1.1
119.08593	4.5
121.10155	14.5
122.10531	1.3
123.11707	33.8
124.11984	1.3
125.13276	2.7
133.10132	5.3
135.11720	7.6
137.13239	3.3
145.10127	1.4
147.11717	2.7
148.21602	1.2
149.13235	6.3
151.11189	3.7
151.14812	5.2
155.14293	5.6
159.11673	1.7
160.96169	1.2
161.13278	1.5
163.14897	5.6
165.16309	1.4
166.55672	1.1
169.12218	3.7
169.15898	7.7
173.13306	1.2
175.14815	2.1
177.16393	2.9
187.14828	1.5
189.16382	2.0
191.17941	2.7
203.17992	1.5
205.08488	1.8
207.17360	1.5
212.16447	1.7
261.25769	21.6
262.26138	3.0
279.26822	18.7
281.28326	3.1
289.25296	6.3
302.14874	1.5
307.26382	8.8
340.39023	1.1
350.30411	5.1
368.31204	1.5
378.29807	3.3
410.32681	27.6
411.32962	2.9
428.25003	1.7
428.33081	5.5
429.22589	8.3
429.33612	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	428.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
55.05512	21.1
57.03433	7.0
57.07072	63.6
58.07412	1.7
62.74381	1.4
63.25775	1.4
65.03947	2.5
67.05501	72.8
68.05814	2.5
69.03431	1.8
69.07065	27.8
69.50142	9.7
71.04999	2.7
71.08637	7.7
79.05492	14.3
81.07054	100.0
82.07393	3.3
83.04966	2.7
83.08617	16.7
85.06538	46.9
85.07052	2.3
85.10163	3.0
87.08130	1.8
91.05467	8.2
93.07035	20.9
94.07347	1.7
95.04943	4.6
95.08602	65.7
96.08927	6.2
97.06522	4.0
97.10155	10.2
102.05534	3.4
104.07099	94.9
105.06993	10.6
106.46062	1.5
107.08590	16.7
108.08910	2.8
109.06524	3.0
109.10151	28.9
110.10518	2.1
111.08054	1.8
111.11717	2.5
113.09643	5.0
119.08553	7.8
120.56615	1.7
121.10142	21.0
122.10471	2.4
123.08058	1.9
123.11702	39.4
124.12054	1.8
125.09631	3.1
125.13251	5.7
126.49464	2.0
131.08580	4.5
133.10152	6.6
133.34647	1.6
134.10439	1.8
135.08038	1.5
135.11690	16.0
136.12012	2.7
137.13225	13.2
139.11255	1.8
139.14835	1.5
141.12727	4.5
145.10143	3.1
146.10512	2.1
147.11691	3.8
148.12093	1.6
149.13268	5.0
151.11148	7.3
151.14806	4.7
153.12752	2.0
155.14270	22.9
158.63026	1.5
159.11700	4.7
161.13206	3.5
162.13618	1.6
163.14926	7.3
169.12247	5.6
173.13243	4.2
175.14795	2.9
177.12718	1.8
177.16383	8.7
179.14325	1.8
179.17963	3.3
187.14867	3.4
189.16443	2.9
190.16751	2.2
191.07060	1.8
191.14224	2.6
191.17891	3.6
201.16338	1.7
203.17871	3.7
205.08591	3.5
205.19527	4.0
207.17407	3.1
211.11130	1.9
222.15068	1.7
223.09576	1.8
243.10112	1.9
245.11697	1.8
251.09177	2.3
261.25748	39.5
265.14331	2.3
271.24323	3.2
279.26825	50.7
280.27271	4.5
281.28372	2.8
287.12814	2.1
289.25204	11.1
297.11182	3.1
299.12839	1.7
307.26318	8.9
315.12241	5.6
325.14212	1.9
325.27176	3.5
327.16074	2.7
341.17480	2.2
343.15460	2.9
350.30429	11.6
368.30869	2.0
378.30035	7.0
381.12845	2.0
383.29288	1.8
385.23645	1.8
387.21628	2.3
401.23254	6.3
410.32510	47.0
411.33023	5.7
428.36267	7.1
429.22653	74.5
429.34222	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	10.7
55.67472	2.4
57.03442	4.0
57.07076	52.3
60.32713	2.3
67.05500	20.9
69.07064	14.2
70.07430	3.6
71.08627	6.6
71.32046	3.5
79.05492	16.7
81.07053	37.6
82.07401	3.8
83.04990	8.9
83.08630	11.8
88.07607	3.2
91.05494	9.5
93.07036	23.2
94.07378	5.9
95.04968	3.7
95.08607	44.3
96.08957	10.0
97.06528	4.1
97.10171	6.5
102.09241	3.1
104.07111	20.6
105.07008	16.4
106.07372	4.6
107.08594	22.2
108.08943	8.3
109.06526	3.7
109.10161	23.9
111.08096	3.4
119.08595	17.4
120.08911	6.2
121.10141	27.3
122.10474	5.5
123.08074	6.1
123.11718	7.2
127.11182	17.3
131.08655	5.4
133.10127	12.6
134.10512	6.1
135.08032	3.1
135.11685	15.8
136.12068	7.1
145.10112	6.1
147.11734	14.3
148.12053	4.2
149.13271	10.3
150.13602	5.6
157.10086	2.6
159.11746	8.9
161.13269	7.1
163.14891	8.1
164.15154	5.5
171.11731	3.0
173.13242	4.6
174.13678	4.3
175.14888	7.0
176.15242	3.9
177.16377	4.8
178.16748	4.5
181.15959	4.4
185.13359	2.4
187.14851	5.9
188.15103	4.2
189.16440	11.6
190.16783	10.5
191.17912	3.9
193.15889	30.4
195.13779	4.9
197.77298	2.2
199.15045	3.1
200.20125	4.0
201.16367	4.9
202.16676	4.0
204.18375	3.1
205.15915	16.5
206.16194	22.5
207.17534	9.3
208.17838	8.4
235.16835	2.4
255.23282	6.5
260.20862	3.2
279.26779	40.7
279.29639	3.6
289.25217	2.7
307.26309	64.7
308.26846	5.7
320.11810	3.3
325.32993	3.3
331.26547	3.6
332.26730	7.8
410.35019	11.4
428.36118	100.0
428.41165	16.5
429.22781	7.0
429.33209	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	428.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	22.1
57.07076	17.3
58.06585	2.4
60.20639	2.5
67.05495	7.1
68.05485	2.2
69.07063	36.7
69.22768	2.0
71.08621	11.0
79.05494	3.9
81.07048	17.4
83.08609	24.0
85.10175	8.2
91.05440	3.3
93.07041	6.3
95.08609	17.7
97.10171	20.3
98.22596	5.4
102.05529	15.3
104.07098	100.0
104.32948	2.8
105.06991	4.7
107.08600	6.5
109.10144	7.4
111.11710	10.1
119.08569	3.0
121.10114	5.9
123.11694	4.1
125.13192	2.3
133.10165	3.3
137.13289	2.8
143.77570	2.2
145.10046	2.9
159.11665	3.9
161.09550	3.0
165.09102	6.7
205.12247	2.4
211.04613	2.3
245.78078	2.4
302.38135	2.2
307.29941	5.0
410.36264	11.9
428.36169	5.4
429.33423	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	428.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99416	1.0
55.05268	1.9
55.05513	24.3
57.07080	15.0
58.06601	87.1
67.05499	5.8
68.32995	1.0
69.00749	11.9
69.07069	30.3
69.07449	1.6
71.04993	1.5
71.08632	10.5
72.08157	2.0
75.80499	1.1
75.90572	1.1
79.05470	3.6
81.07061	9.5
83.08623	25.4
85.06541	1.2
85.10171	5.3
87.04442	1.8
90.05536	2.0
90.92622	1.2
91.05441	1.9
92.89988	1.2
93.07063	4.6
95.08607	8.8
97.10172	21.9
97.90422	1.2
99.08117	1.5
105.07024	4.4
107.04983	1.1
107.08597	4.4
109.10155	5.3
111.11724	9.5
116.07091	18.9
118.08653	100.0
119.08559	3.7
121.10168	6.2
123.11731	1.5
124.72556	1.0
125.13242	4.3
127.38072	1.1
131.08539	1.5
133.10091	3.0
135.11703	2.3
139.03735	1.1
142.59137	1.0
145.10071	1.8
147.11681	2.5
149.13205	2.3
155.14240	1.1
159.11653	2.2
175.14943	1.2
191.06989	1.6
201.16423	2.4
205.08603	2.1
205.15858	1.4
207.17416	1.1
223.09616	1.2
241.40848	1.2
257.21078	1.4
275.27307	2.4
293.28421	8.6
297.11243	1.4
299.12869	1.3
301.53635	1.1
315.12491	1.5
353.13742	1.6
410.31552	1.6
410.36255	14.5
411.21085	1.9
411.25919	2.8
428.31461	5.6
428.36877	3.3
429.22751	18.2
429.33115	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50718	5.7
56.96569	12.7
61.74670	6.1
69.34698	14.1
69.35110	35.4
73.04749	45.8
80.03013	6.1
81.46234	6.8
91.05795	100.0
98.97586	17.1
110.97617	6.9
116.98567	6.8
139.03894	7.5
149.04512	11.1
167.05522	38.0
219.01772	9.4
225.04314	12.4
237.02798	19.5
243.01770	8.6
282.60858	7.5
324.98401	7.2
329.67477	7.7
342.99750	13.8
359.02795	67.7
360.02728	9.3
391.46423	8.2
429.11884	62.8
429.21332	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	429.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41460	3.5
54.58257	2.6
56.99050	3.0
63.20788	2.5
65.91170	3.3
69.55814	10.0
69.56220	7.8
84.59209	3.2
86.90912	3.6
98.22633	4.4
109.06407	4.0
133.89194	3.4
136.06178	7.2
143.02005	3.2
249.05698	3.3
411.12518	3.5
429.11896	100.0
430.11697	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	429.1157
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84398	0.8
57.03413	1.0
61.02896	1.8
69.03406	2.1
70.06547	1.9
71.04976	1.3
71.34976	1.2
73.02874	0.9
73.04732	1.9
81.03393	1.2
84.04462	0.9
85.02425	1.2
85.02902	19.2
91.03938	1.0
91.05756	2.5
95.04979	1.0
97.02843	3.8
98.97507	1.3
109.02843	1.4
121.02821	1.2
127.03905	4.3
139.03883	1.0
145.04955	9.4
163.06032	5.9
167.05537	1.5
167.06898	0.9
181.04791	0.9
237.02779	1.1
245.06168	1.8
267.11816	1.2
325.11026	1.2
342.99847	1.1
359.02606	2.7
397.10779	1.0
429.12881	7.5
429.16882	100.0
430.17114	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	429.1366
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96578	0.4
69.59115	2.1
73.04761	1.2
87.43115	0.3
91.05811	0.8
98.23371	0.4
98.97584	0.5
110.97520	0.4
122.07156	0.5
136.06212	1.1
150.05632	0.4
167.05547	0.5
167.07054	0.5
177.00832	0.5
178.83287	0.4
219.01971	0.7
219.94846	0.4
239.04118	0.6
243.02058	0.8
261.03171	0.4
264.25598	0.4
267.08124	0.4
283.08041	0.4
359.02927	0.6
367.52280	0.4
411.12717	5.5
412.12778	0.5
429.13687	100.0
430.14301	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	429.1367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87309	0.7
69.03411	1.2
69.37853	4.2
73.04745	1.0
76.35252	0.7
79.54251	0.6
81.03388	1.0
83.01042	0.9
85.02858	2.4
91.05779	1.2
95.01089	3.1
96.01834	1.0
97.02795	0.7
98.23290	1.3
98.97540	0.6
109.02820	0.7
112.01317	1.0
113.02142	3.9
122.91969	0.6
123.04382	1.8
124.04720	0.9
127.03879	1.2
129.05499	0.8
139.03903	3.8
140.04167	1.2
142.51741	0.7
146.05716	1.2
152.31020	0.6
157.04669	1.5
160.12125	0.8
163.03838	0.7
167.03114	0.8
167.05518	1.2
177.01517	2.0
185.04163	5.8
192.02351	1.2
192.03929	19.4
193.04222	1.1
201.03645	2.2
201.05444	0.7
203.05174	1.5
222.05676	3.4
225.04294	0.6
235.05611	1.2
248.06197	0.7
250.00970	0.6
259.07770	2.8
267.01544	0.7
267.11813	0.8
268.06152	8.4
276.05859	0.9
288.05655	0.9
289.05942	1.8
359.02692	1.7
398.11780	5.4
399.12460	3.5
399.19882	1.3
411.09409	1.4
411.15378	1.0
429.13281	100.0
430.10867	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	429.1518
Annotation	SB 243213
Peak:m/z	Relative Intensity
69.71906	2.5
73.04755	2.0
77.05943	0.7
91.05796	2.0
95.08597	0.8
97.10197	0.7
98.22655	1.0
105.07029	0.7
113.02399	0.6
119.08546	0.8
121.10163	0.8
128.38750	0.6
131.08583	0.6
133.10164	0.6
135.04410	1.3
137.05978	1.3
146.37416	0.7
153.01813	1.8
167.05511	1.6
167.06863	1.0
189.01036	0.6
197.49579	0.6
199.18004	0.6
217.04642	4.6
219.06168	1.1
228.07639	1.0
232.07045	51.2
233.07593	3.8
244.88377	0.6
250.08072	0.7
280.38824	0.7
359.02927	1.8
398.13351	1.5
429.15207	100.0
430.15518	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	429.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.5
61.89986	0.4
62.20635	0.4
65.14088	0.5
67.05477	0.6
69.03421	0.9
69.07047	0.4
71.04977	0.4
71.31581	0.7
74.12696	0.5
79.05485	1.9
81.03403	0.7
81.07034	1.0
83.04972	1.1
85.02886	1.0
91.05461	1.0
93.07064	2.6
95.04988	0.6
95.08557	0.5
97.02895	1.2
105.07025	1.1
107.08588	0.9
109.02912	0.5
119.08546	0.9
121.02847	0.9
121.10143	2.9
127.03976	0.5
129.06955	0.7
131.08519	0.8
133.10048	0.7
135.08183	0.4
137.05942	0.5
143.03186	0.4
143.23132	0.4
149.09583	1.0
181.04974	0.7
193.12294	0.6
203.05273	5.4
205.12003	0.9
218.05659	0.9
246.05087	0.6
249.10973	1.4
267.12039	15.7
268.12354	0.5
288.13309	0.5
429.17191	100.0
430.17456	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	429.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
59.23515	0.3
71.28157	0.4
73.04742	1.1
91.05791	1.8
103.70883	0.4
151.70071	0.4
167.05551	1.0
191.10475	0.6
191.77220	0.4
200.12775	0.4
203.05237	5.0
203.06927	0.5
249.10999	1.7
249.14597	1.0
267.11996	2.0
359.02875	1.5
371.16608	2.2
411.16174	10.8
412.16257	1.1
429.16571	39.8
429.20895	100.0
430.16895	2.8
430.21213	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	429.173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.7
67.05505	0.9
68.91264	0.6
69.03435	0.9
71.04995	1.6
71.32478	0.7
73.04739	0.8
79.05499	2.2
79.99910	0.6
81.03418	1.5
81.07047	1.2
83.04976	1.0
85.02914	2.9
91.05466	0.9
93.07028	4.1
95.04979	1.0
95.08605	0.6
97.02873	0.8
97.06532	0.8
105.07056	1.6
107.08594	1.3
107.90235	0.6
109.06482	0.6
109.10153	0.7
119.08577	0.7
121.02823	0.7
121.10149	3.2
123.98936	0.8
127.03916	0.9
131.08554	0.8
139.03857	0.8
145.10138	0.7
149.09637	2.3
151.03923	3.0
153.01863	0.6
163.07524	0.7
170.24304	0.6
233.11159	0.7
247.37067	0.6
249.14684	1.2
261.07501	1.2
267.09216	0.7
267.12042	1.5
267.16193	0.9
267.77747	0.7
339.14685	0.9
359.02887	0.9
367.17215	4.1
369.15128	5.6
371.16739	3.0
411.19867	2.3
429.16684	100.0
430.16934	7.2
430.22388	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
59.23515	0.3
71.28157	0.4
73.04742	1.1
91.05791	1.8
103.70883	0.4
151.70071	0.4
167.05551	1.0
191.10475	0.6
191.77220	0.4
200.12775	0.4
203.05237	5.0
203.06927	0.5
249.10999	1.7
249.14597	1.0
267.11996	2.0
359.02875	1.5
371.16608	2.2
411.16174	10.8
412.16257	1.1
429.16571	39.8
429.20895	100.0
430.16895	2.8
430.21213	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	429.1881
Annotation	Trp Ser His
Peak:m/z	Relative Intensity
66.08718	0.5
69.31361	3.2
70.33312	0.4
98.23320	0.8
141.49348	0.4
158.83841	0.4
167.07002	0.5
189.05232	13.0
203.06767	0.6
217.08311	3.3
219.06340	2.1
231.10025	0.8
233.07861	0.5
234.08621	22.0
235.09367	5.6
398.17340	0.8
399.17749	1.5
429.18814	100.0
430.19150	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	429.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61937	0.3
66.44321	0.2
69.38830	0.6
69.39252	1.1
73.04755	0.8
91.05814	1.9
98.23403	0.2
100.89107	0.2
112.94191	0.2
123.04395	0.4
139.03854	0.3
146.19547	0.2
147.04439	0.3
148.04858	0.2
151.03853	0.3
167.05603	0.8
185.04201	0.2
203.05267	3.1
231.09727	0.3
249.11021	1.1
249.14632	0.7
250.11292	0.2
255.03459	0.3
267.12036	1.5
267.14816	0.2
267.15714	0.3
359.02896	1.2
371.16855	1.3
411.16199	9.0
412.16568	0.9
429.16534	36.1
429.20892	100.0
430.16904	3.1
430.22214	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	429.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05521	0.3
69.03427	0.5
69.07537	2.0
69.07941	0.6
71.04989	0.3
79.05486	0.2
81.03380	0.3
93.07040	0.4
97.02866	0.2
99.67462	0.2
105.07005	0.3
107.08610	0.4
121.02790	0.3
125.05873	0.3
131.08534	0.3
203.05286	0.6
205.12029	0.3
223.13058	1.4
249.14665	1.1
258.43967	0.3
267.15784	2.0
273.49396	0.2
287.11008	19.9
288.11395	1.1
299.78632	0.2
309.16644	0.2
371.16751	1.6
372.17145	0.3
385.18301	9.3
386.18512	0.9
429.20959	100.0
430.21280	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	429.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03447	0.3
70.06593	0.3
71.16740	0.2
73.04759	1.5
74.06059	0.3
85.02885	0.4
91.05789	1.9
98.97628	0.5
117.09161	0.3
123.04294	0.3
151.63589	0.3
167.05540	0.9
183.03246	0.3
187.03534	0.2
203.05280	1.4
243.01883	0.3
257.03845	0.3
267.13513	0.4
359.02939	1.7
371.16769	1.3
389.08612	0.3
411.20129	1.8
415.84406	0.3
426.14737	0.3
429.11755	3.8
429.21033	100.0
430.12039	0.6
430.21417	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	429.2271
Annotation	3-O-Angeloylsenecioodontol
Peak:m/z	Relative Intensity
51.40708	0.2
55.01867	0.3
55.05507	1.9
57.07076	5.3
60.56541	0.2
65.03939	0.5
67.05506	4.5
68.99809	0.4
69.03429	0.6
69.07065	2.5
71.04977	0.4
71.31863	0.4
79.05488	2.2
79.43685	0.2
81.07056	4.5
83.04977	0.9
83.08620	1.6
85.06548	2.8
91.05460	2.4
93.07046	3.0
95.04978	0.4
95.08601	3.9
96.08944	0.2
97.06532	0.7
97.10186	0.9
102.05537	1.2
104.07117	1.8
105.07016	3.7
107.04942	0.3
107.08596	3.8
108.08893	0.3
109.06516	1.0
109.10145	3.0
111.08103	0.3
117.07018	1.0
119.08579	3.7
121.06535	1.0
121.10143	4.6
123.08051	1.2
123.11718	1.1
124.51534	0.2
125.09616	0.8
127.07537	0.5
129.07010	0.3
131.08568	1.2
133.06491	0.6
133.10115	3.2
134.10474	0.3
135.04424	0.4
135.08080	1.3
135.11713	1.4
137.09596	0.8
137.13248	0.4
139.07625	0.3
139.11177	0.4
141.05428	0.3
141.06996	0.3
143.08569	0.7
145.10123	1.4
147.04427	0.4
147.08069	0.7
147.11664	1.4
149.05937	0.5
149.09625	2.8
149.13280	1.1
151.03908	0.3
151.07526	0.4
151.11194	0.4
153.05515	0.5
157.10071	0.4
159.08075	0.7
159.11678	0.7
161.06003	1.0
161.09683	0.6
161.13297	0.4
162.06873	0.3
163.03966	1.3
163.07587	1.7
163.11176	0.8
163.14891	0.6
165.01816	0.4
165.05444	0.4
165.09116	0.3
167.03433	0.5
167.07027	0.3
171.08083	0.4
171.11690	0.3
173.09625	0.5
173.13287	0.8
175.07559	1.1
175.11256	0.6
175.14832	0.7
177.05487	0.9
177.09099	1.3
177.12642	0.3
179.07034	0.3
179.14249	0.3
181.08649	0.3
181.10138	0.3
183.11559	0.3
187.07520	0.7
187.11125	0.5
187.14809	0.5
189.05486	0.5
189.09209	0.6
189.16360	0.6
191.07043	1.7
191.10681	0.5
191.14265	1.3
192.07779	0.9
193.04945	1.6
193.08601	0.9
193.15726	0.3
199.07582	0.4
199.11224	0.5
201.05452	0.5
201.09027	0.6
201.12788	0.3
201.16383	0.5
203.07021	0.6
203.18076	0.3
205.04965	0.3
205.08591	5.8
205.12149	0.4
206.09004	0.4
207.06543	0.3
209.08008	0.6
211.07614	0.6
211.09528	0.5
213.09187	0.4
214.06320	0.4
215.07056	0.9
215.10677	0.4
217.12299	0.6
219.06561	0.3
219.10173	0.9
219.13812	1.1
221.08084	0.4
223.09618	2.5
226.09897	0.3
227.07077	1.3
227.10687	0.9
229.08600	0.9
229.12190	0.3
231.06590	1.6
231.10246	0.4
233.11731	0.6
233.15355	0.3
237.11244	0.3
239.10771	0.5
241.08586	0.9
241.12225	0.4
242.09300	0.7
243.06436	0.3
243.10188	2.3
244.07225	0.6
244.10880	0.3
245.08115	0.8
245.11768	0.9
247.13379	1.5
251.12862	0.4
253.08571	0.5
255.06549	0.4
255.10213	1.4
255.13820	0.4
256.10999	0.3
257.08130	0.3
257.11734	2.0
258.12497	0.3
259.06003	0.5
259.09717	1.3
259.13425	0.6
259.16995	0.3
261.11227	2.4
263.12735	1.0
265.08563	0.5
265.14349	1.5
267.10269	1.1
268.07080	0.4
269.08096	0.5
269.11761	1.5
269.14499	0.3
271.06100	0.3
271.09698	0.4
271.13345	1.0
273.08197	0.2
273.11264	1.1
275.12839	1.7
277.14438	0.4
279.10165	1.1
281.11765	2.2
282.08911	0.5
282.12314	0.4
283.09668	1.7
283.13272	1.2
285.11313	0.9
285.14664	0.4
287.09534	0.3
287.12946	1.3
288.13638	0.4
289.14221	1.2
293.11606	0.6
295.13132	0.5
297.11279	4.5
297.14832	0.7
298.11649	0.6
299.12820	2.6
299.16113	0.4
300.13129	0.3
301.10739	2.2
301.14294	0.8
303.12485	0.5
303.15942	0.7
307.13187	1.4
309.14801	1.9
310.11935	0.4
310.15253	0.3
311.12601	0.8
311.16446	0.9
312.13608	0.4
313.14374	0.9
313.18008	1.4
315.12268	11.8
315.15591	0.8
316.12701	0.9
317.13919	0.6
323.16443	0.9
325.14316	3.5
325.18063	2.0
326.14890	0.6
327.15918	7.5
328.12863	0.3
328.16321	0.9
329.13785	0.6
329.17508	1.2
330.18326	0.4
331.15472	0.5
331.19046	2.1
338.11639	0.3
339.15906	0.4
340.16528	0.3
341.17456	1.8
342.18188	2.1
343.15381	5.7
343.19089	3.3
344.16043	1.6
345.17007	1.4
353.13815	2.1
354.14307	0.3
357.13284	0.3
358.17715	1.3
359.18390	1.0
359.22290	0.5
367.22745	0.8
368.16245	0.6
369.16916	1.0
369.20844	0.6
370.17075	0.3
371.14838	3.1
373.16586	0.6
383.22211	0.8
385.16498	1.0
385.23697	2.9
387.17709	0.5
387.21866	2.4
401.23215	10.6
402.23672	1.0
411.21066	2.1
412.21780	0.3
429.22714	100.0
430.23032	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	429.2271
Annotation	Andilesin
Peak:m/z	Relative Intensity
55.05516	4.4
57.03424	0.8
57.07066	1.5
58.06602	0.5
67.05502	6.7
68.05822	0.6
69.03429	1.5
69.05934	3.1
69.06348	1.0
69.07064	6.1
70.07403	0.5
71.04987	2.8
72.05313	0.5
79.05508	2.5
81.07059	9.5
82.07379	1.5
83.01344	0.6
83.04968	1.4
83.08619	4.9
84.08958	0.6
91.05478	1.7
93.07041	5.1
94.07378	0.7
95.04977	0.9
95.08608	9.4
96.08944	1.4
97.06523	0.7
97.10166	3.7
102.05526	2.0
104.07107	24.2
105.06987	1.7
105.07545	0.9
106.75617	0.4
107.08595	4.2
109.10160	5.4
110.10495	0.8
111.08099	1.2
111.11707	1.0
113.09735	0.4
117.07026	0.5
119.08593	2.3
121.06528	1.1
121.10137	3.2
122.10490	0.5
123.11711	2.0
125.09664	0.7
131.08549	1.1
133.10112	2.4
135.11684	3.3
136.12029	1.3
137.09653	0.9
137.13252	0.8
143.08606	0.6
145.10139	3.3
147.11658	0.8
149.09633	1.7
149.13272	1.4
151.14789	0.5
157.10127	0.7
159.08122	0.6
159.11658	0.7
161.09633	1.0
161.13170	0.8
163.11186	1.5
165.16235	0.6
166.16707	0.5
173.09641	2.6
173.13324	1.3
175.07655	0.5
175.14799	0.7
176.08305	0.7
177.09093	2.5
177.12701	0.8
182.10829	0.4
183.17445	0.9
185.09625	0.6
187.14841	0.4
189.09172	1.0
190.86647	0.4
191.07053	2.0
191.10591	2.0
191.14297	0.8
191.18053	0.5
192.07809	1.6
193.08534	0.9
195.11899	0.5
197.13260	0.8
199.11153	0.6
200.12016	0.6
201.12674	0.5
205.08611	3.3
205.15852	0.6
206.08916	0.5
213.09157	0.6
213.12895	0.5
215.07005	0.5
215.14255	2.4
217.12251	1.0
219.10181	0.7
219.13821	0.9
223.09599	1.0
225.12694	0.7
227.10742	0.9
228.11490	1.7
229.08640	0.8
229.12251	0.5
230.09351	0.8
233.11871	0.5
233.15364	7.7
234.15627	0.6
241.08524	0.7
241.12296	1.0
243.10191	1.3
243.13799	7.3
245.08182	0.9
245.11583	0.5
247.13289	2.2
255.10246	1.0
257.11807	1.4
261.11490	1.1
261.14850	10.8
261.25861	0.8
262.15225	0.9
262.26144	1.6
265.14374	0.8
269.11725	2.4
270.12598	0.7
271.13123	0.7
273.11212	1.6
275.12839	0.6
279.10251	0.8
279.16138	1.1
280.27188	1.1
281.11804	2.8
282.08911	0.8
283.13699	0.5
285.07751	0.5
289.14429	2.3
290.25696	1.1
291.26788	0.9
294.12555	0.6
295.13492	0.9
295.16794	0.8
297.11221	5.0
297.14526	0.9
299.12790	3.9
303.16074	0.5
303.19565	1.4
307.13351	1.4
307.26230	1.2
308.14035	0.5
308.26630	2.0
309.14828	2.2
310.11899	0.9
311.12958	0.6
313.17984	1.0
315.12280	13.0
315.15674	0.6
315.19507	0.5
316.12787	0.8
323.16565	1.0
325.14291	2.7
325.17999	2.4
327.15881	5.2
328.13000	0.5
331.19003	5.0
337.18094	0.5
338.11505	1.7
340.16705	0.8
341.17566	2.2
342.18253	1.6
343.11609	0.8
343.15369	6.0
343.19070	2.5
344.16037	0.7
353.13800	2.2
358.17795	1.5
359.18503	2.3
365.21069	0.5
367.15424	0.7
367.22662	0.8
368.16260	0.5
369.16867	1.5
371.14697	3.3
383.22324	1.4
385.16443	0.8
385.23508	2.0
387.21689	0.9
394.33167	1.1
401.23233	8.3
411.21674	1.9
411.32813	2.2
429.22720	100.0
430.23077	10.3
443.46878	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	6.0
57.07083	5.1
57.17010	2.2
67.05512	6.7
69.07068	12.4
69.25560	19.2
69.26337	2.6
79.05496	6.1
81.07062	15.4
83.01344	5.8
83.08626	4.5
89.90359	2.2
91.05481	7.1
92.89476	2.5
93.07053	10.2
95.08623	17.5
97.06519	2.7
97.10194	3.6
104.07069	2.8
105.07013	12.9
107.08612	12.7
109.10172	10.0
117.07030	4.1
118.02299	2.6
119.08585	10.0
121.06534	5.4
121.10152	12.8
123.04486	3.2
123.11725	3.4
131.08549	6.9
133.10159	10.0
135.08037	7.4
135.11668	4.2
137.13261	6.4
145.10164	7.1
147.11681	5.4
149.09607	6.8
152.34212	2.8
153.05510	3.1
157.10112	2.7
159.08025	6.6
159.11743	5.9
161.13280	4.1
162.06789	8.6
163.07549	11.4
163.14833	4.3
165.09123	4.3
173.13396	3.4
175.14832	5.2
177.09125	18.7
177.16472	4.2
187.07527	3.6
189.16380	4.8
191.06947	3.8
193.08641	3.5
201.16420	7.7
205.08618	76.5
206.08986	3.7
214.25586	2.6
219.17392	2.4
223.09653	100.0
224.09996	5.4
297.11298	4.0
315.12326	5.4
343.15387	2.7
386.14871	3.7
393.31235	3.7
401.23260	4.9
411.20447	2.6
411.25220	6.9
429.16956	19.8
429.22629	42.7
429.27429	4.3
429.33331	26.5
430.17633	9.0
430.22989	6.2
430.33752	3.2
441.87726	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	429.2637
Annotation	Graviphane
Peak:m/z	Relative Intensity
51.76724	2.2
53.03946	3.1
55.05505	8.9
57.07062	4.1
59.81932	2.2
67.05507	13.8
67.51512	2.4
69.07071	11.7
71.04985	7.2
71.30711	2.6
73.04763	11.6
79.05489	12.9
81.07050	29.2
83.01345	9.6
83.05004	4.0
83.08591	5.3
84.02715	2.5
85.06541	5.3
91.05371	4.2
91.05793	21.8
93.07043	30.7
95.04958	4.1
95.08599	29.8
97.10165	4.0
104.07166	2.2
105.07024	33.6
107.08596	21.6
109.06523	7.9
109.10150	16.2
109.10786	2.6
111.08072	2.5
111.28380	2.8
113.05998	9.1
114.07388	2.7
117.07017	5.6
119.08582	25.2
121.06526	3.4
121.10144	22.5
123.08068	9.8
123.11741	6.7
125.09639	3.9
129.07031	4.5
131.08554	29.4
133.10120	15.0
135.11693	12.1
137.05997	9.4
137.09633	4.9
142.93810	2.5
143.08539	3.8
145.10118	30.7
147.08052	3.4
147.11646	18.9
149.04564	3.1
149.09666	4.0
149.13255	3.8
151.07527	5.3
151.11258	2.5
153.05507	7.2
157.10124	4.1
159.11699	28.3
161.13252	9.1
163.07564	3.4
163.11244	2.7
163.14861	2.7
165.09090	33.1
167.05611	12.9
167.06860	3.2
171.11685	4.1
173.13278	6.7
175.07532	8.2
175.14847	6.7
177.16393	2.7
177.74695	2.4
189.12697	2.5
191.18001	5.4
193.08597	54.7
201.16382	43.6
201.18120	3.4
203.14323	3.9
205.08609	16.3
211.09650	100.0
212.10008	5.0
219.17511	6.3
223.09598	17.9
257.21335	2.5
277.28217	2.7
297.11157	4.3
299.12958	4.1
315.12244	2.9
327.15762	2.8
353.13873	3.4
359.02789	21.2
360.02731	3.8
371.15295	2.5
411.25504	12.9
411.32715	3.6
429.09198	2.9
429.22034	27.5
429.32947	16.2
430.22928	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	47.7
56.58130	8.1
56.82015	8.1
57.07059	29.6
66.91624	8.2
67.05496	44.5
69.07066	67.2
69.22126	69.0
71.03364	7.8
71.08628	17.1
79.05488	21.1
80.92260	9.5
81.07054	87.5
83.08608	49.6
85.06543	12.4
91.05457	17.0
93.07026	41.4
95.08617	79.9
97.06537	18.7
97.10174	40.3
105.07031	21.0
107.08598	57.7
109.06541	10.6
109.10149	38.5
111.08065	9.4
119.08559	32.9
121.10120	38.4
123.11676	14.3
125.09628	27.6
126.09990	9.4
129.07027	9.9
131.08533	11.0
133.10091	16.7
135.08026	13.4
135.11682	35.9
143.10620	11.1
145.10037	9.8
147.11658	18.8
149.13286	21.6
159.11710	10.6
161.13203	9.9
163.14752	12.2
173.13217	14.1
205.15755	10.6
205.19516	14.1
223.20731	10.1
281.08420	8.7
287.22144	100.0
288.22516	12.4
308.30655	9.4
391.77899	9.5
393.31406	13.3
411.32440	25.0
429.22534	79.6
429.32993	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	35.0
57.07065	17.8
60.80206	4.0
67.05508	44.1
69.07062	55.2
71.08622	11.2
71.34216	6.9
78.23244	5.0
79.05488	25.8
81.07057	63.6
83.04977	7.5
83.08604	34.7
85.06548	5.6
85.10199	5.6
91.03182	5.3
91.05421	10.2
93.07035	28.7
95.08603	71.5
97.06537	9.6
97.10169	24.6
98.88910	5.4
105.07051	13.0
107.08566	41.7
109.10159	33.1
110.10529	5.8
111.08058	8.4
111.11683	4.6
112.23378	4.2
112.98071	4.0
119.08561	21.5
119.49771	4.1
121.10129	35.5
123.08030	4.7
123.11743	15.3
125.09613	21.6
131.08598	10.6
133.10120	19.5
135.11707	23.7
136.46033	4.1
137.02336	9.6
137.13272	5.9
139.11166	14.5
142.94673	5.2
143.10684	9.0
145.10129	9.9
147.11671	9.8
149.09641	4.2
149.13274	12.7
151.11194	5.8
153.12747	12.3
157.10121	4.7
159.11710	10.1
161.13152	6.6
163.11115	9.1
163.14807	13.5
173.13316	5.8
185.13361	6.5
187.14867	13.5
201.16298	6.5
205.15802	8.3
205.19507	8.9
217.12206	5.0
223.20607	13.1
251.20081	7.5
269.21222	5.7
287.22180	100.0
288.22672	5.9
343.15317	4.6
411.32489	9.3
429.33963	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	429.3363
Annotation	Tylopiol B
Peak:m/z	Relative Intensity
53.03944	5.9
55.01873	6.4
55.05510	11.6
57.07072	12.3
67.05499	19.4
69.03438	2.1
69.07063	17.4
69.38718	3.4
69.39122	7.4
71.04993	4.7
71.08630	2.3
77.03898	1.6
79.05492	27.1
80.68555	1.5
80.76450	1.5
81.03439	4.3
81.07054	44.0
81.07507	2.6
83.04961	8.3
83.08615	10.6
84.58488	1.6
85.02898	1.6
85.06526	7.7
91.05470	21.4
91.38901	1.7
93.07042	47.4
93.07607	2.7
95.04987	6.4
95.08604	48.1
96.08953	2.5
97.06539	16.1
97.10180	5.8
100.63583	1.8
104.07096	1.8
105.04536	1.9
105.07031	32.4
107.08591	48.8
108.08937	2.5
109.06544	5.1
109.10157	31.6
111.08108	7.1
113.05996	3.8
117.07008	6.2
119.08572	42.3
120.08936	2.6
121.06537	3.3
121.10136	36.9
122.10497	1.9
123.08100	6.6
123.11712	13.9
125.09625	7.7
127.07572	5.6
129.07019	3.1
131.08571	10.0
133.06548	1.7
133.10127	25.8
135.08069	4.9
135.11687	35.4
136.12062	2.1
137.09645	7.3
137.13242	4.4
139.07574	5.7
139.11217	4.2
141.09119	3.3
143.08583	5.8
145.10118	15.3
147.08067	2.8
147.11682	20.1
149.09645	5.1
149.13248	10.6
151.07541	3.0
151.14827	2.0
153.05531	2.2
153.09100	33.5
157.10168	5.4
159.11665	13.0
161.09595	3.4
161.13266	14.8
163.07591	1.6
163.11162	7.8
163.14815	12.6
164.15237	2.3
165.09140	2.5
165.12761	3.9
167.07082	1.9
171.11699	2.5
173.13266	10.1
175.07613	2.0
175.11102	1.7
175.14824	9.3
177.05493	2.2
177.09151	2.4
177.12737	2.1
177.16406	4.5
179.07169	1.8
179.10645	9.1
179.14337	4.2
181.12224	17.6
183.02937	3.5
183.13812	8.6
185.13316	5.4
187.14796	12.7
189.11273	4.0
189.12785	4.0
189.16408	13.5
191.07071	4.4
191.14339	2.9
191.17972	21.4
193.12328	3.6
193.15961	2.1
197.13362	1.6
199.14908	3.6
201.16360	9.1
203.07167	1.9
203.14426	3.9
203.18085	4.9
204.18266	1.7
205.08691	5.2
205.12230	2.2
207.13841	4.7
207.17448	3.6
209.08104	1.8
213.16382	4.0
214.17009	1.7
215.17987	3.6
217.19743	1.7
219.10170	2.6
219.13800	2.6
221.15414	8.9
223.09712	6.0
227.18004	4.2
228.23224	2.0
229.19559	3.0
231.21169	6.1
237.11276	2.9
241.15952	1.7
241.19592	2.4
243.10257	2.8
243.21042	2.2
247.17079	2.4
253.19586	2.0
257.11780	2.0
257.18933	2.0
271.24274	5.0
277.14642	1.9
285.11060	2.4
295.15408	9.2
303.12183	2.1
309.25836	7.0
315.12344	2.2
316.53247	1.5
325.14517	3.4
327.16022	2.7
327.26871	2.6
341.24890	1.9
343.15286	2.1
353.13971	2.6
373.16592	6.1
383.29211	2.4
393.31693	6.2
401.23282	4.7
411.21283	3.7
411.32574	34.3
412.33246	2.9
429.22595	51.3
429.33682	100.0
430.23206	4.9
430.34033	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	429.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.9
55.01873	6.4
55.05510	11.6
57.07072	12.3
67.05499	19.4
69.03438	2.1
69.07063	17.4
69.38718	3.4
69.39122	7.4
71.04993	4.7
71.08630	2.3
77.03898	1.6
79.05492	27.1
80.68555	1.5
80.76450	1.5
81.03439	4.3
81.07054	44.0
81.07507	2.6
83.04961	8.3
83.08615	10.6
84.58488	1.6
85.02898	1.6
85.06526	7.7
91.05470	21.4
91.38901	1.7
93.07042	47.4
93.07607	2.7
95.04987	6.4
95.08604	48.1
96.08953	2.5
97.06539	16.1
97.10180	5.8
100.63583	1.8
104.07096	1.8
105.04536	1.9
105.07031	32.4
107.08591	48.8
108.08937	2.5
109.06544	5.1
109.10157	31.6
111.08108	7.1
113.05996	3.8
117.07008	6.2
119.08572	42.3
120.08936	2.6
121.06537	3.3
121.10136	36.9
122.10497	1.9
123.08100	6.6
123.11712	13.9
125.09625	7.7
127.07572	5.6
129.07019	3.1
131.08571	10.0
133.06548	1.7
133.10127	25.8
135.08069	4.9
135.11687	35.4
136.12062	2.1
137.09645	7.3
137.13242	4.4
139.07574	5.7
139.11217	4.2
141.09119	3.3
143.08583	5.8
145.10118	15.3
147.08067	2.8
147.11682	20.1
149.09645	5.1
149.13248	10.6
151.07541	3.0
151.14827	2.0
153.05531	2.2
153.09100	33.5
157.10168	5.4
159.11665	13.0
161.09595	3.4
161.13266	14.8
163.07591	1.6
163.11162	7.8
163.14815	12.6
164.15237	2.3
165.09140	2.5
165.12761	3.9
167.07082	1.9
171.11699	2.5
173.13266	10.1
175.07613	2.0
175.11102	1.7
175.14824	9.3
177.05493	2.2
177.09151	2.4
177.12737	2.1
177.16406	4.5
179.07169	1.8
179.10645	9.1
179.14337	4.2
181.12224	17.6
183.02937	3.5
183.13812	8.6
185.13316	5.4
187.14796	12.7
189.11273	4.0
189.12785	4.0
189.16408	13.5
191.07071	4.4
191.14339	2.9
191.17972	21.4
193.12328	3.6
193.15961	2.1
197.13362	1.6
199.14908	3.6
201.16360	9.1
203.07167	1.9
203.14426	3.9
203.18085	4.9
204.18266	1.7
205.08691	5.2
205.12230	2.2
207.13841	4.7
207.17448	3.6
209.08104	1.8
213.16382	4.0
214.17009	1.7
215.17987	3.6
217.19743	1.7
219.10170	2.6
219.13800	2.6
221.15414	8.9
223.09712	6.0
227.18004	4.2
228.23224	2.0
229.19559	3.0
231.21169	6.1
237.11276	2.9
241.15952	1.7
241.19592	2.4
243.10257	2.8
243.21042	2.2
247.17079	2.4
253.19586	2.0
257.11780	2.0
257.18933	2.0
271.24274	5.0
277.14642	1.9
285.11060	2.4
295.15408	9.2
303.12183	2.1
309.25836	7.0
315.12344	2.2
316.53247	1.5
325.14517	3.4
327.16022	2.7
327.26871	2.6
341.24890	1.9
343.15286	2.1
353.13971	2.6
373.16592	6.1
383.29211	2.4
393.31693	6.2
401.23282	4.7
411.21283	3.7
411.32574	34.3
412.33246	2.9
429.22595	51.3
429.33682	100.0
430.23206	4.9
430.34033	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	429.3362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.3
55.05510	29.7
57.07064	4.3
60.26137	2.8
65.03932	3.8
67.05498	41.4
69.03421	5.5
69.07064	28.1
71.04995	4.3
73.04753	4.8
79.05493	37.6
81.03424	11.6
81.07053	75.8
83.04987	7.2
83.08609	9.5
85.06573	6.5
91.05453	41.4
93.06462	5.6
93.07045	78.7
95.04963	12.3
95.08606	100.0
97.02865	3.2
97.06536	5.9
97.10175	10.8
98.22542	6.8
103.05498	3.6
105.07022	69.3
106.07331	3.6
107.08588	66.5
109.02874	16.0
109.06535	6.5
109.10152	43.6
111.08107	10.0
115.05515	3.3
117.07022	10.5
119.08573	59.3
120.08929	3.8
121.06510	8.3
121.10146	50.9
123.08081	10.0
123.11709	19.2
125.09658	5.4
128.06157	4.8
129.07007	10.9
131.08563	31.1
133.10126	52.2
134.10513	4.2
135.08035	5.8
135.11685	35.5
137.06020	6.2
137.09608	7.5
137.13300	6.3
139.11154	4.4
142.07747	3.3
143.08528	16.6
144.09306	3.4
145.06477	3.1
145.09030	2.5
145.10124	39.5
147.08022	5.9
147.11682	76.1
148.12041	4.0
149.02278	3.1
149.06026	2.9
149.09572	6.7
149.13246	27.6
151.11226	5.3
155.08548	8.4
156.09283	5.5
157.10133	21.5
159.08006	4.5
159.11710	37.0
161.09669	3.6
161.13245	49.3
163.11220	6.7
163.14848	14.6
165.12744	4.4
167.05521	3.0
169.10159	12.4
170.10890	3.5
171.11717	23.9
172.12340	3.7
173.09633	3.3
173.13246	26.2
175.11241	5.7
175.14871	13.1
177.12776	8.3
177.16336	5.2
179.14238	4.4
183.11659	9.1
185.13237	16.3
187.11295	5.9
187.14819	46.0
188.15105	3.9
189.12796	3.9
189.16399	12.5
191.10730	4.9
191.14357	6.2
195.11702	4.4
195.17567	3.7
197.13298	6.5
199.14839	21.4
201.12770	5.1
201.16356	11.2
203.14311	4.4
203.18025	3.9
205.15833	7.4
207.17403	4.9
211.14896	5.3
213.12770	4.5
213.16426	10.2
215.14381	3.5
215.17975	10.1
217.15898	3.7
217.19588	4.1
223.09370	2.9
225.16441	4.6
227.17929	15.1
229.12250	3.0
229.15515	3.8
229.19377	4.9
231.17401	5.5
233.15385	3.4
240.18469	3.3
241.19545	5.1
245.19011	49.5
246.19368	4.6
263.20084	21.8
273.22226	9.2
353.28339	4.2
359.02634	3.8
383.25522	3.7
385.31235	4.1
393.31503	19.6
411.32965	14.8
411.75748	2.9
429.10870	4.1
429.26471	12.4
429.33911	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	429.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.2
55.01862	5.2
55.05262	3.6
55.05509	46.6
55.99407	2.2
57.03434	5.5
57.07080	28.7
59.04999	4.4
67.05501	39.0
69.03426	3.7
69.07066	100.0
69.62541	13.9
71.04989	7.8
71.08630	15.9
76.13684	2.4
79.05492	33.8
81.07054	78.7
83.04971	10.0
83.08614	39.6
85.06494	3.1
85.10184	10.0
91.05470	9.1
93.07043	60.0
95.04976	4.9
95.08031	4.4
95.08601	58.2
96.36539	2.6
97.06522	28.2
97.10170	38.6
105.07022	8.7
107.08592	28.9
109.06564	2.8
109.10158	30.2
111.08075	8.7
111.11729	13.9
117.97715	2.5
119.08573	10.4
121.10146	66.0
122.10439	2.8
123.08076	3.0
123.11706	14.5
125.09625	10.0
125.79043	2.5
127.11179	3.4
129.09128	3.4
131.08553	3.9
133.10132	6.4
135.11693	19.7
137.09654	3.1
137.13297	5.3
139.11174	66.1
143.10655	3.2
145.10165	6.3
147.11668	7.7
149.05939	3.4
149.13240	12.4
153.05424	2.4
153.12781	5.1
157.12201	19.3
159.11671	5.7
161.09647	3.1
161.13332	3.1
163.14830	10.4
164.35321	2.8
175.14821	4.8
189.16356	3.6
191.17793	2.5
201.16463	3.5
205.08627	7.1
219.21039	18.0
223.09677	6.2
231.10040	3.9
237.22084	37.4
247.09612	4.1
249.11189	9.1
255.23160	13.8
332.13699	3.0
349.27692	2.8
357.31329	5.2
375.32483	22.6
376.32700	5.1
393.33655	39.1
394.33661	3.6
411.25037	8.9
429.22467	13.0
430.23340	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.4
55.01861	1.8
55.05506	20.0
56.64049	1.0
57.03431	1.6
57.07061	3.9
59.04998	1.2
64.68857	1.3
65.03926	2.7
67.05505	38.0
69.03445	1.4
69.07067	21.3
69.23309	8.9
71.04974	3.5
71.08633	1.9
79.05479	14.5
81.07054	52.2
82.07371	3.3
83.01334	1.3
83.04984	3.0
83.08618	10.6
85.06541	2.9
91.05451	11.5
93.07052	18.7
95.04990	1.6
95.08603	55.3
96.08909	2.2
97.06537	7.1
97.10161	9.2
99.08076	1.5
102.05555	2.5
104.07105	29.8
105.07017	13.5
107.07939	0.6
107.08593	23.6
109.06514	5.1
109.10162	24.0
111.08099	2.9
111.11700	1.8
113.06033	1.6
117.06997	2.9
119.08584	22.6
121.06455	1.6
121.10143	14.0
123.08056	4.8
123.11697	11.2
125.09614	3.3
131.08553	7.8
133.10129	17.9
135.08102	2.3
135.11702	16.4
136.12022	1.8
137.09581	3.4
137.13223	6.9
139.11162	3.3
141.12628	1.3
143.08502	1.9
145.10117	6.4
147.08044	1.9
147.11697	7.9
149.09642	3.4
149.13268	6.8
151.11166	2.0
151.14801	2.2
153.12762	1.7
155.14355	2.7
157.10156	2.5
158.10738	1.3
159.11682	4.6
161.13235	7.4
163.07697	1.5
163.14815	4.5
165.12762	2.4
171.11667	2.0
173.09569	1.9
173.13269	4.4
175.14862	3.5
177.09123	1.6
177.16351	2.4
179.17783	1.2
185.13199	2.4
187.14841	3.1
189.08983	1.7
189.16385	20.8
190.16798	1.3
191.07063	4.3
191.10751	1.8
191.14253	1.5
192.07790	4.0
193.04956	1.5
201.12782	1.5
201.16330	1.6
203.07057	1.4
203.17900	1.9
205.08604	4.8
207.17438	31.8
208.17715	2.0
213.16316	1.8
223.09648	3.4
227.10643	1.3
229.08633	2.1
241.12282	1.5
243.10188	3.9
243.21114	3.0
245.08093	1.8
245.11725	2.1
247.13390	1.5
254.09274	1.7
255.10106	1.7
255.21028	1.3
257.11783	2.2
261.11127	2.0
261.22137	10.0
263.27292	2.1
269.11774	3.7
273.11111	1.8
275.12839	1.8
279.10208	1.3
279.23178	25.3
280.23453	1.3
281.11716	2.0
282.12369	1.3
283.13406	1.4
287.60043	1.2
291.23175	6.6
291.26797	3.4
295.13205	1.6
297.11151	10.1
297.14294	1.9
297.24280	1.3
299.12704	5.7
307.13251	2.1
309.14703	3.3
310.12033	1.7
311.12976	2.1
311.16245	1.5
315.12265	17.0
316.12527	1.5
325.14264	5.2
325.17908	2.9
327.15872	9.1
328.16223	1.3
341.17392	1.7
342.18362	2.1
343.15402	6.7
343.19067	3.6
351.30762	1.4
353.13785	2.5
358.17578	1.5
359.18576	1.7
365.28400	1.5
371.14743	5.5
385.23654	2.8
393.35507	1.8
394.33176	5.8
401.23276	10.1
402.23492	1.6
411.32559	3.7
411.37051	1.8
412.34128	5.2
416.89896	1.5
427.20801	1.2
429.22693	100.0
429.37381	4.9
430.23169	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	429.3726
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
53.03947	4.3
55.01875	3.6
55.05510	21.9
57.07072	36.5
59.01147	3.0
67.05506	18.5
69.07067	44.9
70.07362	3.9
70.83863	5.2
70.84193	4.6
71.08630	32.3
79.05489	13.4
81.07056	45.7
83.04998	7.2
83.08630	21.8
85.10191	19.2
86.88509	3.1
91.05436	16.3
93.07037	23.3
95.08602	56.6
97.06518	12.6
97.10170	11.1
105.07024	19.8
107.04966	5.2
107.08585	19.3
109.06515	7.3
109.10155	24.3
111.11713	10.7
117.06989	3.5
119.08594	26.2
121.06507	9.5
121.10110	17.9
123.08030	5.8
123.11698	12.4
125.13250	4.6
129.07007	5.3
131.08578	10.0
133.06395	3.5
133.10124	24.3
135.08006	5.3
135.11685	19.6
136.08826	4.2
137.09587	10.8
137.13275	7.1
140.68953	3.4
143.08530	9.2
143.36185	3.5
145.10144	17.3
147.08043	5.5
147.11674	14.1
149.09651	25.2
149.13254	12.1
155.08560	4.1
157.10094	11.0
159.11694	20.4
161.09615	10.5
161.13281	7.9
163.11145	12.5
163.14775	6.0
164.08350	5.2
165.09109	70.6
171.11728	8.5
173.09676	4.4
173.13274	7.9
174.76736	3.1
175.11157	27.8
175.14702	5.8
177.09142	6.2
177.12788	7.8
179.26431	3.8
183.11771	7.3
185.13287	7.2
187.14777	7.6
189.12712	6.9
197.13390	6.3
199.14801	8.4
201.12761	4.5
203.14336	4.4
205.12210	4.3
209.30966	3.2
211.14789	5.5
213.16377	6.2
215.14363	3.7
217.15944	6.2
225.16377	4.7
229.15894	6.8
243.17345	4.3
243.21085	3.2
253.19519	7.3
257.19061	5.9
271.20508	9.8
275.27274	4.3
316.26831	4.1
383.36884	5.8
393.35086	11.0
411.36172	56.4
429.31369	5.1
429.37216	100.0
430.37894	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3726
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
51.72523	2.2
54.66026	2.5
57.07067	10.1
61.70869	2.5
63.41685	2.7
67.05497	6.7
69.07030	27.6
71.08627	12.2
74.40795	2.5
80.05820	2.5
81.07071	5.4
85.10172	4.6
89.52483	3.0
95.08606	4.8
97.01245	2.8
98.22646	6.5
102.74451	2.6
107.08595	5.3
109.10178	7.4
110.96633	2.7
119.08599	4.0
121.06558	3.4
121.10139	3.1
136.08850	5.3
137.09633	9.1
149.09610	10.7
163.11179	18.1
164.08351	15.2
165.09114	100.0
173.09448	3.5
175.11166	3.6
177.09085	7.7
191.10655	11.9
191.37854	2.9
205.12239	9.2
219.13794	4.4
332.97995	2.7
337.20914	2.8
355.47800	3.0
429.32141	5.3
429.37347	28.0
430.37927	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3725
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
55.05491	2.3
57.07073	13.8
57.98633	1.1
67.05488	5.0
69.03401	1.3
69.07057	3.1
71.08625	11.2
71.15604	1.0
77.12291	1.1
79.05484	2.9
81.07055	7.6
83.08604	1.9
85.10172	5.2
91.05465	2.5
93.07048	3.4
95.08603	7.4
97.10175	2.5
101.28504	1.0
105.07024	3.7
107.08592	4.9
109.10149	7.7
111.05106	1.1
114.35681	1.1
119.08574	4.1
121.06507	4.1
121.10126	4.0
122.07238	1.8
123.11676	1.8
131.08533	3.5
133.10129	2.6
135.08052	4.5
135.11691	3.0
136.08849	3.2
137.09601	10.7
139.07602	1.6
145.10103	2.5
149.09608	13.9
149.13274	1.1
151.07452	1.4
159.11700	3.4
161.06099	1.2
161.09587	1.4
162.06906	1.2
163.11188	16.1
164.08395	5.5
165.09109	100.0
166.09425	2.4
172.08861	1.1
173.09637	2.3
173.13211	2.8
175.07585	1.4
175.11168	4.9
177.09120	10.4
177.12747	2.0
178.09650	1.2
179.10695	1.5
187.11168	3.3
189.12631	1.2
190.09900	2.2
191.09195	1.4
191.10696	9.9
192.11148	1.2
199.78810	1.2
201.12692	3.5
203.10739	1.4
205.08664	1.5
205.12216	10.1
215.14304	1.5
219.13745	5.7
222.78400	1.1
233.15303	3.9
244.81833	1.0
247.16739	1.3
289.21457	1.5
303.23166	1.5
308.06656	1.2
315.12296	1.2
331.26401	1.2
345.27493	1.9
401.33963	1.7
411.36096	2.0
429.22589	15.7
429.37265	30.9
430.22964	1.6
430.37897	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	430.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.1
55.01864	1.7
55.05490	0.9
57.03435	4.7
61.02926	8.7
69.03424	10.7
69.55508	4.6
70.06585	1.5
71.04991	2.3
71.08643	1.2
73.02920	2.6
73.04750	1.7
75.27566	0.9
76.44776	0.9
81.03424	6.5
85.02905	100.0
86.03233	1.9
86.09715	2.7
86.98965	0.9
87.04459	1.4
89.08618	0.9
91.03944	3.6
91.05834	1.4
96.32276	0.9
97.02898	21.8
99.04468	3.9
103.03937	1.6
109.02878	9.3
127.03918	24.5
128.04259	1.4
137.05928	1.1
140.91667	1.1
145.04958	51.0
146.05266	1.2
153.01816	2.3
163.06024	37.3
192.14600	0.9
217.50546	1.0
233.08211	1.1
256.45282	0.9
261.07443	1.5
268.11548	1.1
325.11255	5.5
401.92648	1.2
430.16974	11.0
430.22174	2.2
431.15164	7.5
431.19629	2.9
450.80539	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06837	0.9
50.11444	0.8
52.15733	0.7
53.03700	0.7
53.03947	2.5
55.01877	2.5
57.03435	6.2
57.07081	1.1
59.05011	1.2
61.02927	7.8
64.42805	0.9
69.03425	16.6
69.81786	2.8
69.82206	1.3
70.06578	1.1
71.04982	2.7
72.08177	0.8
73.02907	5.0
81.03397	6.6
85.02901	100.0
86.03234	2.0
86.09695	12.4
87.04472	2.7
91.03944	6.0
97.02888	23.5
97.03493	1.5
99.04449	3.7
103.03934	0.9
107.04952	0.8
109.02867	8.8
111.03302	0.8
114.05566	0.8
115.03961	3.1
120.84129	0.8
121.02920	1.1
127.03911	26.5
132.10190	1.1
133.04939	1.1
145.04950	56.2
146.05421	1.2
148.09703	0.8
152.07074	0.9
163.06017	23.6
209.07446	0.9
214.39238	0.9
225.09729	1.0
225.58562	0.8
228.73413	0.8
230.80850	0.9
251.14842	1.4
260.09003	2.0
269.13327	0.7
311.72849	0.8
320.94431	1.1
350.67020	0.8
415.10455	0.9
430.16351	2.2
431.18863	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	430.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.8
55.45790	1.5
57.03441	26.8
57.07078	16.2
59.05014	3.7
61.02919	6.7
63.04487	23.6
69.03429	59.5
69.93797	5.0
69.94194	2.5
70.03783	2.0
71.01366	2.8
73.02912	23.9
81.03426	3.2
85.02905	51.7
87.04466	36.5
89.32202	1.6
91.03954	2.0
91.05490	1.7
97.02260	3.0
97.02892	63.2
98.23213	3.1
100.07634	2.2
109.02879	2.4
110.06065	1.9
115.03928	66.3
116.04292	2.1
119.10697	100.0
127.03925	7.3
133.03958	3.6
133.04968	64.5
137.05931	1.9
145.03986	1.8
145.04965	9.2
150.07616	4.3
160.64259	2.4
163.06059	2.5
163.07768	1.5
164.85176	1.8
165.36459	1.5
168.97383	1.8
169.05045	1.9
182.09752	1.7
241.07092	2.3
259.08328	2.7
277.09210	1.9
281.15973	1.9
295.10370	2.0
348.82306	1.9
430.21130	5.3
431.18494	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	430.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
55.05509	12.2
57.07075	3.7
58.06583	1.5
65.03934	1.1
67.05501	26.8
68.05823	0.5
68.37585	0.5
69.07063	13.4
70.60331	1.0
70.60693	1.0
71.08627	3.0
73.47334	0.5
79.05492	4.8
81.07051	35.7
82.07373	0.7
83.04922	0.5
83.08614	9.5
84.73099	0.5
85.06553	0.6
85.10167	1.6
91.05474	2.2
93.07057	3.8
95.08601	40.7
96.08916	1.2
97.06509	0.5
97.10168	8.8
102.05534	10.5
104.07098	100.0
105.07031	1.9
107.08595	2.6
109.06513	0.7
109.10151	13.4
111.11707	3.4
119.08582	2.7
121.10149	2.0
123.11700	7.1
125.13268	1.6
125.94112	0.5
130.04974	0.7
131.08543	0.7
133.10129	2.0
135.11714	3.0
137.13252	6.9
145.10114	0.8
147.11681	1.3
149.13316	0.6
151.11203	0.7
151.14758	1.2
155.14281	1.2
157.43025	0.5
161.13258	1.3
163.11136	0.7
165.16402	1.0
173.09746	0.6
175.14915	0.7
193.19576	0.5
212.20087	0.7
238.43239	0.5
263.27356	2.2
273.25690	3.3
291.26791	6.0
334.31152	0.7
362.30661	0.8
380.31891	0.9
394.33075	16.4
395.33472	1.5
412.34174	9.5
430.34546	2.1
431.31772	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11156	0.5
53.03925	0.7
53.98108	0.5
55.05507	10.1
57.03419	0.5
57.07074	4.8
58.06586	1.6
65.03923	1.1
67.05501	27.6
68.05817	0.7
69.07065	13.4
71.04977	0.8
71.08617	2.1
79.05481	4.8
81.07049	35.9
82.07381	0.8
83.08612	10.0
83.93845	0.5
85.06541	0.6
85.10184	1.2
87.04496	0.7
91.05466	1.7
93.07044	4.2
94.07384	0.6
95.08599	39.6
96.08926	0.7
97.06526	1.1
97.10159	7.2
102.05532	10.4
104.07097	100.0
105.07009	1.8
107.08594	2.7
108.08936	0.5
109.06521	0.8
109.10150	13.7
109.69343	0.5
110.10472	0.8
111.08092	0.9
111.11707	4.2
117.07054	0.6
119.08595	2.8
121.10119	2.6
123.11700	6.9
123.81493	0.6
125.13255	0.9
130.05023	0.7
133.10156	2.7
135.11687	3.0
137.09541	0.7
137.13245	7.3
138.13556	0.5
145.10088	0.8
147.11668	1.2
148.11945	0.6
149.13280	1.2
151.14841	1.5
152.23868	0.4
155.14314	1.3
159.11604	0.7
161.13293	1.3
165.16357	0.7
175.14822	1.1
177.16277	0.7
179.17947	0.6
181.31357	0.5
190.16795	0.6
195.06528	2.2
203.99178	0.5
238.91847	0.5
240.19508	1.0
241.19499	0.6
263.27383	2.0
273.25757	3.5
291.26788	5.2
303.62955	0.6
309.27695	0.6
334.30975	0.8
362.30496	0.7
374.69180	0.5
394.33075	15.5
394.37933	1.0
395.33282	1.2
412.34140	7.8
413.34653	0.8
430.30096	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93062	0.6
53.03942	0.6
55.05258	0.9
55.05511	13.3
56.05830	0.7
57.03431	0.6
57.07077	5.4
58.06595	2.0
58.07928	0.6
65.03944	0.9
67.05505	24.9
68.05830	0.6
69.07069	17.4
69.55162	3.3
70.78643	0.5
71.04990	0.9
71.08629	3.2
79.05492	4.2
81.07057	30.4
82.07388	0.7
83.04952	0.7
83.08619	12.4
85.06512	0.8
90.05556	0.8
91.05476	1.2
93.07056	3.5
95.08607	26.4
96.08950	1.3
97.06519	0.9
97.10170	8.8
98.23340	1.0
99.65858	0.5
102.05543	10.5
104.07105	100.0
105.06987	1.2
107.08597	2.2
109.06517	1.2
109.10156	14.8
111.11727	4.0
119.08576	2.1
121.10159	2.1
123.08076	0.6
123.11703	5.6
127.81072	0.5
133.10161	1.4
135.11719	2.8
137.09615	0.8
137.13235	4.6
147.11705	0.8
151.14795	2.0
153.12706	0.9
162.86397	0.6
165.16507	0.8
175.14845	0.6
176.38887	0.5
179.18028	0.7
189.16396	0.9
191.07013	0.8
193.15982	0.6
206.08931	0.8
233.01494	0.5
258.11935	0.7
263.27365	2.4
273.25809	3.0
291.26819	6.5
297.11401	0.7
298.11545	1.7
299.13150	0.8
300.13275	0.8
309.27811	0.9
315.12201	1.2
316.12546	2.8
328.16251	1.6
343.18735	0.6
344.15744	1.1
354.14484	0.6
362.30588	1.0
372.15338	1.5
394.33118	16.7
395.33627	0.7
402.23593	2.7
412.34171	8.7
430.23056	31.7
430.35315	1.3
431.23398	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88994	0.6
53.03928	0.7
55.05511	23.4
56.05827	0.6
57.07073	14.4
60.04523	61.5
67.05508	4.2
69.07066	30.8
69.07442	1.5
70.02934	1.4
70.53937	1.3
70.54313	1.0
71.08258	0.8
71.08628	9.3
74.06067	2.3
74.72851	0.5
79.05482	1.6
81.07059	5.6
83.04999	1.0
83.08619	24.5
85.10170	4.4
86.02423	3.6
88.03995	1.8
91.05452	1.0
93.07050	3.6
95.08595	5.3
96.08947	1.1
97.10167	20.3
98.10504	1.1
100.03986	0.8
102.05537	31.2
102.94508	0.6
105.07046	1.5
107.08591	2.7
109.10155	2.3
111.08070	0.6
111.11707	9.5
118.05027	2.6
119.08596	0.8
120.06576	100.0
121.06960	1.6
121.10101	3.2
123.11744	0.6
125.13264	3.4
131.08553	0.9
133.10149	1.0
135.11684	1.8
137.13284	0.7
139.14772	0.9
145.10098	0.8
146.04501	2.3
149.13240	0.7
163.14838	1.6
167.07076	0.7
171.54932	0.7
191.17880	0.7
209.19019	1.1
275.27429	3.2
293.28415	6.0
294.28653	1.0
296.53461	0.6
394.33185	1.1
412.34158	8.8
413.34738	0.7
430.34299	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69497	1.6
53.03953	1.9
54.87638	1.9
55.05516	13.5
57.06816	2.8
57.07077	31.3
58.06586	2.0
59.49869	1.8
59.54492	1.9
59.91146	1.8
60.04536	1.9
61.65978	2.0
62.00484	1.6
66.24007	2.0
67.05507	24.2
69.07065	13.7
69.09179	6.9
69.09599	9.9
71.05006	1.9
71.08631	23.7
71.28536	1.6
79.05492	6.8
81.07060	34.7
83.08620	9.5
85.10185	6.5
86.36676	1.9
91.05490	6.2
93.07053	9.6
95.08604	28.3
97.06551	4.4
97.10173	7.6
102.05524	10.4
104.07109	100.0
105.07019	5.6
107.08599	7.8
108.08929	2.2
109.06505	4.6
109.10160	14.2
119.08558	6.7
120.06619	3.2
121.06538	3.4
121.10147	8.1
123.08074	2.4
123.11674	7.2
125.09621	2.3
131.08606	3.2
133.10173	5.0
135.11711	3.8
137.09639	3.0
137.13307	1.8
141.12741	6.0
145.10106	2.6
146.22150	1.7
147.11652	3.7
151.14888	2.3
155.14299	5.7
159.11792	2.9
167.07132	2.1
189.16287	2.8
195.17407	1.9
196.16940	2.5
201.16386	2.7
205.08534	1.9
206.08992	2.4
207.17508	3.2
235.13391	2.7
237.18585	2.1
238.17957	2.5
256.19180	2.0
263.27390	4.5
281.28403	5.3
291.26956	4.6
298.11319	2.0
309.27905	9.2
334.31079	3.2
352.32089	8.8
366.33951	2.4
390.87698	1.8
394.33237	16.0
412.33997	6.7
413.22629	2.5
430.22583	14.7
430.33817	3.4
431.23843	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	430.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26385	0.3
55.05502	0.4
57.07076	3.3
58.07388	0.6
62.95572	0.6
65.17448	0.3
67.05519	2.4
68.05871	0.4
69.07063	1.2
69.28208	2.6
69.28636	0.5
71.08635	1.9
79.05486	0.7
81.07061	2.6
83.04960	0.8
83.08605	0.6
85.10180	0.5
91.05453	1.3
93.07049	1.8
94.07382	0.5
95.08643	1.9
96.08990	0.4
97.10207	0.4
105.07018	0.6
107.08600	1.2
109.10158	4.4
110.10466	0.6
111.04395	0.4
117.07045	0.6
119.08587	2.5
121.06510	11.0
121.10125	0.4
122.07347	1.7
122.10429	0.5
123.08093	0.7
125.05945	0.5
131.08589	0.6
133.10170	0.4
135.08054	1.7
136.08847	12.6
137.09631	12.9
138.09950	0.8
149.06033	0.8
149.09627	3.6
150.09959	1.1
151.07602	0.8
152.08315	1.3
159.11732	0.6
160.00049	0.4
160.12003	0.5
162.06740	0.5
163.07391	0.4
163.11192	2.6
164.08342	29.2
164.11478	1.2
165.09119	100.0
166.09444	9.8
166.70079	0.4
175.07512	0.5
175.11258	0.5
177.09134	2.1
177.12802	0.6
178.09465	1.0
178.13193	0.4
187.11148	0.8
189.12767	0.4
190.09782	0.9
191.10661	1.9
192.11055	1.1
201.12518	0.4
205.12254	7.8
206.12680	0.7
219.13736	0.6
220.14281	0.7
233.15311	0.4
412.36224	0.7
430.38046	66.5
431.38354	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	431.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	31.8
57.03401	1.3
61.02924	1.3
67.47834	0.9
69.03413	3.2
69.31948	6.6
70.06547	1.3
70.75063	0.9
70.96407	1.0
71.04980	1.1
71.95227	2.5
73.04723	1.2
73.06561	9.4
81.03394	1.8
84.96030	14.0
85.02416	0.9
85.02894	12.7
91.05757	3.1
91.07570	1.6
97.02856	3.0
97.96780	1.1
98.22555	1.7
98.97578	100.0
109.02835	1.2
110.97564	49.1
112.99111	6.6
116.98615	50.5
119.01846	1.0
124.99113	1.2
126.97042	2.4
127.03846	3.3
128.98602	49.7
129.98964	1.2
131.00156	7.6
134.99635	14.7
136.06195	7.4
137.05690	1.1
140.00194	1.0
140.98537	2.2
143.00179	7.5
143.01120	1.2
143.01686	0.9
144.98012	4.1
145.04948	4.8
146.98584	1.7
146.99637	24.3
149.01123	3.5
150.96976	1.1
152.00076	1.0
152.98578	1.3
153.00664	1.2
153.01819	1.7
158.99620	6.9
161.01239	7.6
162.99078	2.8
163.05934	1.3
165.00639	1.8
168.98035	3.0
170.99619	6.8
177.00673	9.6
179.02249	1.7
181.99062	1.0
186.99042	3.4
189.00722	6.6
193.98842	2.7
194.99588	1.5
196.97551	1.7
201.00702	5.7
206.13843	1.0
211.99890	18.6
213.00536	2.8
213.02536	0.9
214.98685	4.5
215.02170	1.2
219.01759	49.4
220.02112	1.1
222.98820	0.9
226.98534	2.1
227.02158	1.9
229.00049	1.7
230.00967	73.4
231.01331	3.7
232.99635	2.7
237.02798	93.0
238.03104	2.4
239.99246	1.7
241.00146	8.1
242.00810	1.3
242.03236	1.4
243.01633	1.3
243.87651	0.9
244.99640	1.0
245.03360	7.8
247.99593	1.4
248.02032	26.1
254.00859	2.1
255.01404	2.2
255.02237	1.7
255.03999	6.9
257.03296	1.1
258.00238	1.0
259.01245	21.3
260.04303	1.4
261.02771	2.3
263.04230	1.7
267.01556	3.3
269.03287	8.5
270.13309	1.1
272.01953	5.1
273.02698	3.2
277.02087	2.8
281.03265	6.4
283.01132	1.6
283.04614	1.5
285.02872	5.2
287.04333	16.1
290.00714	4.1
290.03479	1.4
293.03119	1.7
295.04688	1.9
299.04321	10.4
301.02185	1.2
301.05756	1.9
308.02060	8.6
311.01282	1.0
311.04367	9.2
313.05814	2.2
317.05405	2.3
323.04272	6.0
329.01675	1.9
329.05222	4.9
339.03516	1.5
341.05319	2.3
356.04230	7.8
357.04672	2.1
361.02319	2.2
361.84662	1.1
371.06500	20.8
372.06708	1.5
374.05164	5.6
389.07538	58.2
390.07550	3.2
407.08569	4.6
412.08929	2.1
431.08359	41.0
431.14014	4.1
432.08551	3.0
449.09543	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	431.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.2
55.05510	9.5
57.07074	10.0
67.05519	22.1
69.02963	3.3
69.06738	2.9
69.07059	15.9
69.28893	24.0
71.05018	3.9
71.08643	8.4
78.04695	3.6
79.05478	21.1
81.07054	35.5
83.08622	6.6
83.88312	2.8
85.10147	4.7
91.05502	13.9
93.07014	17.0
95.04971	3.4
95.08592	26.6
97.06509	3.8
97.10186	6.9
98.36435	3.1
98.98466	4.0
104.07117	4.1
105.07047	17.3
107.04964	39.5
107.08587	16.0
109.10152	16.3
111.08078	4.4
112.99998	20.2
115.05448	9.3
117.06993	3.8
119.08586	10.9
121.10162	11.2
123.04426	5.6
123.11700	6.0
124.05238	9.4
125.06001	3.4
129.07039	3.8
131.08577	6.7
133.06458	3.9
133.10124	10.0
135.08057	9.0
135.11705	13.7
145.06476	3.8
145.10161	9.0
147.04445	4.3
147.08086	4.2
147.11719	7.0
149.13292	6.3
152.04666	5.8
155.01025	4.9
155.03928	2.9
159.11665	6.5
161.06012	18.6
163.07559	7.5
163.14915	4.6
167.07024	97.6
168.07344	6.0
169.02582	17.5
173.13126	3.9
174.14899	5.2
175.14848	4.5
187.11240	4.8
187.14806	6.1
208.31400	3.1
212.04575	4.6
215.14319	3.5
217.04947	100.0
218.05423	7.5
227.07014	14.2
233.11734	4.6
238.06232	4.0
247.07385	4.0
255.06638	7.7
275.27475	3.7
277.25381	3.1
279.06311	3.3
287.09134	7.9
299.08975	19.8
353.10196	13.2
371.11185	21.1
385.34323	4.2
395.29260	4.8
406.67734	3.3
413.30002	5.8
431.30597	8.5
431.35245	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	431.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	13.4
57.07061	6.7
67.02242	5.9
67.05505	13.4
69.07059	14.7
69.94975	7.2
69.95374	15.9
71.08630	6.7
73.58176	5.0
79.05468	28.0
80.76840	7.0
81.07053	19.7
83.08624	8.4
91.05485	14.1
93.07030	11.4
95.08596	21.4
103.61433	5.7
105.07014	11.9
107.04929	35.5
107.08582	15.2
108.08979	5.7
109.10142	17.8
109.67223	6.0
113.00016	8.3
115.05460	8.6
119.08601	11.0
121.10155	9.5
123.08068	6.8
123.11742	9.2
124.05212	10.6
125.05978	8.9
133.06488	6.5
133.10121	6.9
160.35942	6.0
161.06032	22.7
167.07039	92.8
169.02724	6.1
171.11723	6.8
173.13303	6.4
217.04944	100.0
218.05447	8.2
227.06874	9.2
238.06378	5.6
255.06538	9.4
267.57932	6.2
287.09253	7.6
299.09161	19.0
353.10190	12.3
371.11267	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	431.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05491	0.4
69.42817	1.5
69.43240	0.8
70.06577	0.4
79.05470	0.7
81.07072	0.4
85.02893	1.2
91.05477	1.4
93.07037	0.7
97.02882	0.4
99.04456	0.9
103.03907	1.5
105.07013	0.6
107.08596	0.7
119.08555	0.7
127.03902	2.0
133.06534	0.3
135.08032	0.4
137.05943	0.7
145.04958	0.7
145.10167	0.7
153.01662	0.3
153.05392	0.5
156.23964	0.3
159.04175	0.5
163.06044	0.6
167.05569	0.4
167.06981	0.4
189.05202	0.7
191.07039	0.7
203.06856	0.7
204.07552	5.0
205.08362	0.5
219.06363	0.5
234.08389	0.5
298.07602	0.4
351.65549	0.4
383.55759	0.3
413.21893	0.6
431.16748	100.0
432.17126	9.7
432.23245	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
69.70329	1.9
87.21620	0.6
93.07061	0.8
98.23207	0.9
160.84587	0.6
184.14066	0.5
189.05219	40.4
190.05579	1.4
219.06277	2.5
234.08621	31.3
235.09207	3.1
247.09497	1.0
383.14499	1.2
401.15692	0.8
431.16760	100.0
432.17087	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	431.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84521	0.3
54.18679	0.2
69.46754	0.4
69.47157	1.2
104.13892	0.3
120.70851	0.3
152.83362	0.2
153.92549	0.3
159.75545	0.2
189.05243	2.3
189.86557	0.2
201.05313	0.3
210.91617	0.2
219.06279	6.4
220.06734	0.6
234.08614	35.9
235.09216	3.6
247.09459	0.6
383.14667	0.8
401.15915	0.6
431.16751	100.0
432.17102	9.3
432.22977	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23647	0.5
55.05504	0.5
67.05511	0.8
69.03425	0.8
69.31889	3.7
74.79137	0.5
77.83797	0.4
79.05495	0.7
81.03415	0.7
81.07043	1.1
83.05003	0.5
91.05453	0.6
93.07044	0.6
95.08646	0.8
105.07054	0.9
107.08598	0.7
119.08566	0.9
121.02869	2.5
127.19978	0.5
133.10077	0.6
135.00536	1.4
135.04434	4.1
137.05975	0.5
143.03119	0.8
164.99751	0.5
175.03741	0.6
203.05246	7.1
207.13802	0.9
251.12643	0.7
269.13623	13.2
270.13895	0.6
313.45483	0.6
319.07858	10.0
320.08142	0.9
349.13907	0.7
431.09747	37.1
431.18848	100.0
432.10101	3.3
432.19077	7.4
432.24280	0.9
433.42358	0.7
449.96066	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	7.1
63.04885	4.9
67.05495	10.2
69.03432	4.9
69.07063	6.9
70.38939	12.8
71.04997	8.6
74.37959	5.0
79.05482	27.6
81.07063	14.2
83.04976	23.2
91.05468	24.3
93.07047	29.8
95.04962	9.1
95.08622	12.8
96.50973	4.8
97.06522	16.4
105.07000	34.4
107.04967	14.0
107.08596	19.6
108.84559	5.5
117.06970	6.3
119.08598	12.8
121.06463	24.2
125.06010	34.5
126.63164	5.0
131.08562	7.9
133.06506	11.1
135.11670	11.4
137.05997	9.0
139.07510	5.6
141.07051	6.4
143.07042	21.3
143.08342	7.2
145.06487	6.7
145.10150	49.0
147.11652	10.5
151.07489	7.5
159.11665	15.0
163.11176	100.0
164.11597	7.4
173.09633	32.9
187.11232	23.6
191.10735	21.5
193.08569	8.7
197.09448	5.2
205.12231	17.2
209.11816	6.4
215.10730	20.9
233.11734	43.7
251.12738	5.9
343.97885	6.0
431.12744	7.9
431.21109	6.1
432.24039	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	431.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	5.4
53.73715	2.8
55.01860	4.2
55.05510	19.5
57.03421	6.9
57.07101	4.2
59.04995	2.9
67.05499	24.2
69.03448	7.4
69.07059	17.4
71.05000	17.5
79.05484	21.3
81.03437	10.7
81.07062	50.9
83.04998	6.2
83.08649	6.6
83.35178	3.0
85.02900	9.1
85.06560	5.1
91.05478	29.7
93.07046	35.0
95.04980	12.8
95.08608	42.8
97.02956	4.7
97.06519	7.4
97.10182	9.4
103.05497	3.6
105.07030	47.1
107.04966	4.9
107.08589	36.5
109.02892	17.7
109.06514	6.9
109.10152	30.2
111.04439	6.1
111.08092	7.0
115.05441	7.1
117.07023	11.2
119.07745	4.9
119.08577	45.5
121.06544	5.6
121.10123	31.8
123.08089	6.9
123.11736	11.9
125.09628	7.5
127.03930	4.7
127.11209	11.5
129.07010	5.7
131.08594	20.5
133.06477	4.5
133.10141	29.3
135.04425	3.7
135.08118	6.2
135.11708	13.6
136.07542	4.0
137.05952	8.7
137.09619	5.1
139.11188	5.6
141.07056	5.2
143.08556	11.7
145.06485	7.0
145.10123	28.2
147.11699	35.3
148.05153	5.2
149.09634	6.0
149.13263	15.0
151.03905	8.2
151.07523	3.7
151.11209	3.2
153.01852	3.9
153.12723	3.9
154.06218	5.3
156.09277	4.4
157.10150	10.3
159.11687	27.9
161.13277	17.9
163.07521	10.5
163.11218	6.3
163.14835	6.5
167.07175	6.4
169.10133	5.2
171.11746	11.7
173.06036	5.0
173.13309	11.1
174.06815	3.7
175.14888	4.8
176.95726	3.3
180.07794	16.9
180.72800	3.0
181.04968	13.0
181.08569	30.5
181.09932	3.6
183.11768	7.3
185.09628	4.4
185.13289	9.4
187.14854	11.7
189.09087	4.0
191.10724	4.4
192.97745	3.4
195.10158	28.5
199.14850	7.6
201.16489	4.5
203.14278	3.7
203.17966	4.4
207.13809	4.6
211.14951	5.2
213.16432	8.2
215.17953	8.5
221.19016	6.3
223.15143	4.2
229.15999	3.6
233.18976	6.4
251.20082	16.6
401.15900	5.5
413.15762	8.8
413.30966	5.6
431.17035	11.3
431.31866	100.0
432.32050	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	62.6
67.05501	68.9
68.91306	12.5
69.03423	10.6
69.07066	56.6
69.91073	11.3
70.37994	31.7
77.12281	11.8
79.05470	31.4
81.07047	100.0
83.08609	39.0
91.05479	43.0
93.07037	70.2
95.04985	14.3
95.08604	94.6
97.10159	31.8
99.04453	15.2
105.07032	58.3
107.04946	20.0
107.08598	76.3
109.06504	21.4
109.10139	54.4
111.08080	26.2
117.07021	22.9
119.08578	51.2
121.06512	24.7
121.10120	52.6
123.11712	14.8
125.09669	14.8
129.06926	14.5
131.08549	22.3
133.10121	59.0
135.08049	22.0
135.11714	40.9
143.08534	13.0
145.10106	21.4
147.11621	22.5
147.65990	11.4
149.09590	13.2
149.13258	18.7
151.11197	14.5
157.10104	16.1
159.11710	33.5
161.09561	14.3
161.13281	34.0
163.14832	12.1
167.06963	15.4
173.13232	21.1
185.13268	13.8
187.14830	12.2
203.18018	12.9
217.19493	14.7
235.08195	11.3
263.89734	10.7
313.23074	10.3
400.61096	11.3
413.30392	46.1
431.32025	70.3
432.31494	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	431.352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.6
53.67726	1.8
55.01862	2.2
55.05506	12.4
57.03439	2.5
57.07068	5.7
59.11273	1.7
59.11785	1.6
67.05505	18.8
69.07068	21.0
71.05000	5.6
71.08618	1.8
79.05495	15.5
81.07056	35.6
83.04971	7.5
83.08632	13.4
85.06545	5.1
87.73669	1.6
91.05469	11.6
93.07040	32.1
95.08606	43.9
96.08954	2.8
97.06538	5.5
97.10149	8.0
97.15649	1.5
98.22501	3.9
99.08093	2.0
105.07016	26.8
106.07389	2.4
107.04955	1.9
107.08591	55.6
109.06512	4.8
109.10148	27.4
111.08088	4.0
111.11748	1.6
113.00023	4.0
117.07021	4.2
119.08577	46.3
119.09424	3.0
120.08888	2.0
120.96662	3.0
121.06509	2.6
121.10143	38.1
122.10481	3.8
123.08065	5.2
123.11693	12.1
125.09613	5.6
129.07005	2.3
131.08548	10.1
133.10117	41.4
134.10434	2.6
135.08086	3.1
135.11690	56.3
136.12044	2.6
137.05989	16.2
137.09605	4.5
137.13234	5.3
139.11168	5.8
143.08542	3.7
145.10110	17.8
147.11678	39.9
149.09616	2.7
149.13248	16.0
151.11163	5.5
153.05504	2.0
153.12761	15.8
154.09442	1.9
157.10094	4.6
159.11687	12.3
161.09612	4.1
161.13188	14.1
162.13672	2.1
163.11255	2.1
163.14810	38.7
165.12778	3.3
167.14230	2.7
169.02592	5.7
171.11694	6.1
173.13235	10.3
175.14848	7.6
177.08977	2.5
177.12794	1.9
181.15842	13.0
185.13293	7.3
187.14810	14.1
189.16386	89.8
190.16739	4.8
191.07010	3.7
191.14310	4.6
191.17839	2.1
199.14745	4.5
201.16449	5.7
203.17999	5.8
205.12106	2.3
205.15916	10.2
207.17439	100.0
208.17802	4.6
209.15282	2.7
213.16344	4.8
215.17960	4.3
217.19449	8.4
225.16423	2.3
227.17928	2.9
229.08592	7.5
229.19621	2.4
235.20520	7.1
239.17992	3.1
241.19542	5.3
243.21095	7.9
247.09715	5.6
247.20869	2.0
249.14825	3.0
253.19383	5.4
255.21046	3.3
259.20566	3.4
261.22144	3.0
267.21222	2.8
269.22577	20.6
273.22134	4.3
287.23688	9.2
311.26276	1.9
321.10962	2.7
339.12155	4.7
353.13742	5.5
371.14838	9.7
377.31912	7.6
395.14520	2.9
395.28354	3.5
395.33109	55.7
396.33234	5.7
403.24216	2.0
413.34525	24.5
414.34735	3.0
431.23166	13.4
431.35385	52.2
432.35330	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	431.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	4.4
55.05512	28.6
57.03437	4.9
57.07079	20.7
65.03947	4.2
67.05505	89.0
69.02376	9.7
69.02798	27.2
69.03428	8.6
69.07068	34.6
71.05000	10.1
79.05498	32.0
81.07056	100.0
82.07397	5.7
83.04981	5.5
83.08625	22.3
85.06554	13.3
91.05490	20.7
93.07045	43.6
95.04948	7.7
95.08612	91.6
96.08937	6.8
97.06539	14.8
97.10172	9.9
99.08080	4.6
104.07105	8.1
105.07033	23.4
107.08601	44.7
107.09280	5.3
109.06528	6.5
109.10162	50.0
111.08095	8.3
113.00021	6.9
117.07059	6.5
119.08569	25.8
121.06516	8.0
121.10140	35.1
123.08091	11.3
123.11701	21.4
125.09668	6.4
131.08585	11.9
133.10159	22.9
135.08026	3.9
135.11696	27.6
137.09616	15.8
137.13315	9.4
139.11172	8.6
145.10135	15.2
147.11713	17.5
149.09663	5.0
149.13295	11.1
151.07574	7.9
151.11223	4.7
153.09157	25.4
159.11720	9.5
161.13269	11.2
163.11240	4.4
163.14841	8.9
167.10609	3.7
169.02686	4.0
171.11710	4.1
173.11830	4.3
173.13263	8.9
175.11234	4.4
175.14864	4.6
181.15790	3.6
183.13896	3.5
187.14845	16.9
189.16383	8.0
191.10704	8.3
191.14336	4.7
191.18065	4.5
201.16499	4.3
205.08534	4.6
207.17488	5.7
209.15382	11.4
227.74692	4.0
235.13307	6.4
243.21127	8.9
249.14763	3.9
261.22144	21.0
273.11334	9.8
279.23193	78.5
279.26089	6.0
291.12320	11.3
297.24139	5.3
311.23758	3.9
343.18961	7.2
361.20197	4.9
367.30481	3.9
395.33569	5.0
413.34406	9.6
431.23535	37.0
431.35626	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03315	3.9
53.03936	9.9
55.01858	6.2
55.05507	6.3
57.03439	48.5
59.04984	6.5
61.02911	8.1
67.05489	15.9
69.03427	100.0
69.07053	10.7
71.01320	5.3
71.04983	14.9
71.31248	6.2
73.02915	69.4
79.05486	18.7
81.03408	23.8
81.07060	35.9
83.04978	11.3
83.08627	4.4
85.02900	92.5
85.06544	6.2
87.04457	58.8
91.05469	18.6
93.07035	34.7
95.04963	12.1
95.08603	19.7
97.02889	84.2
97.06495	18.9
99.04459	14.5
103.05447	7.2
105.07040	24.1
107.04936	18.4
107.08569	20.1
109.02872	20.4
109.06515	13.2
109.10148	8.0
111.08070	12.9
113.05956	4.7
115.03918	94.7
117.06998	4.1
119.08579	12.9
121.06506	89.0
121.10123	11.5
123.04449	6.4
123.08055	5.1
123.11687	9.6
124.04176	4.5
125.06019	10.2
127.03926	35.2
127.07549	4.5
129.05519	5.4
131.08601	7.9
132.06569	4.6
133.04956	78.8
133.06490	10.3
133.10123	15.1
135.08049	8.8
137.05939	13.4
139.03912	4.6
139.07564	8.1
145.04951	28.5
145.06487	6.4
145.10100	4.7
147.04436	6.6
147.11658	17.1
149.09634	4.8
150.07635	14.4
151.03899	6.3
157.08646	5.3
157.10112	7.2
161.05988	6.0
161.09569	5.8
161.13205	4.2
163.06068	7.8
163.07475	10.7
165.12759	8.6
167.07042	19.5
169.12215	16.0
171.11684	5.2
175.07637	6.2
175.11157	13.8
183.02831	4.2
187.05962	6.4
189.12662	7.5
193.12289	17.8
195.10133	7.7
199.11220	9.1
203.06972	8.1
205.06995	6.6
207.13795	7.2
211.13286	19.4
213.11168	13.9
217.12253	28.6
217.15776	5.3
229.14296	7.9
235.09677	10.1
235.13252	36.4
253.10878	9.7
253.14418	20.2
259.08127	6.1
271.15274	8.0
329.96042	4.7
397.18228	5.0
432.18130	20.5
432.23724	11.4
433.20093	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	432.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.7
55.01875	2.4
55.05511	1.7
57.03435	1.7
63.76242	1.4
65.03941	7.2
65.21232	1.5
67.05508	6.0
69.03434	3.6
69.07066	4.6
69.63694	1.3
69.66646	7.6
70.02950	8.3
71.05016	2.4
72.58124	1.3
74.40680	1.2
79.05504	7.4
81.03414	4.2
81.07042	7.7
83.04978	3.5
83.08632	1.5
85.02932	2.1
85.06524	11.9
88.03991	73.8
91.05476	13.7
93.03400	11.9
93.07030	7.9
94.04193	1.7
95.04984	7.5
95.08608	4.9
97.02896	2.1
97.06546	3.0
98.22531	1.5
100.37593	1.5
103.05471	3.1
105.04488	1.5
105.07032	17.3
106.07326	1.4
107.04968	24.3
107.08581	7.2
109.02905	3.1
109.06504	2.1
109.10154	3.4
111.04453	9.7
111.08068	2.6
115.05476	3.6
117.07030	4.0
119.04951	9.2
119.08595	5.2
121.06496	8.2
121.10142	4.3
122.03665	5.6
123.04429	5.1
123.08127	1.7
123.11720	2.1
125.05988	16.4
127.03889	2.5
128.06239	3.4
129.06963	2.2
131.04935	3.4
131.08582	5.6
133.06474	12.4
133.10132	4.5
134.71538	1.4
135.08041	4.7
135.11656	1.9
137.05975	100.0
138.06334	2.8
139.07539	2.5
143.08545	10.9
145.06517	6.5
145.10115	5.5
146.06042	2.2
147.04364	2.1
147.08038	1.6
147.11684	4.5
149.05969	6.7
151.03911	30.7
151.04999	2.3
151.07538	44.1
153.05476	25.8
155.08493	1.5
157.06454	3.0
157.10107	1.4
159.08110	7.2
159.09204	1.3
159.11685	2.3
161.05984	16.7
161.09647	3.1
161.13254	3.4
162.06659	3.8
163.07530	22.1
163.11198	2.2
164.07956	1.6
165.05586	1.3
165.09113	23.4
166.08656	1.6
167.06982	1.9
171.08038	11.9
172.08766	1.3
173.05986	2.4
173.09492	1.7
175.07487	4.2
175.11240	2.2
177.05484	3.9
177.09142	4.8
179.07062	1.6
181.04955	3.3
181.08675	1.9
186.06606	1.5
187.07646	1.7
188.08290	11.3
189.09097	11.3
191.10674	6.4
192.06613	4.8
193.12166	2.5
194.08113	4.8
199.11044	1.6
201.09059	7.4
203.10670	49.8
204.10983	2.0
205.08578	3.1
211.13295	2.5
212.09119	2.5
217.12263	5.0
219.10258	5.3
221.11719	45.2
222.12172	2.6
227.10670	4.2
234.14879	2.4
235.13388	3.5
235.16896	2.2
238.10742	2.2
240.08681	6.5
241.08574	2.1
245.11713	14.5
247.64029	1.3
252.12581	1.6
253.14230	3.2
262.14334	1.5
265.12350	1.8
269.08157	5.0
280.15543	1.7
288.18005	2.1
290.13879	1.8
293.11896	1.9
308.14734	1.6
311.12958	3.2
325.14304	11.9
327.16025	11.4
343.15454	4.0
345.17038	3.7
351.15741	5.3
368.18451	2.2
369.16913	6.8
371.18710	1.9
386.19308	1.8
414.19135	11.9
415.19479	2.2
422.38721	1.5
432.20355	19.2
432.28412	2.4
433.11777	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.3
55.01866	1.5
55.05507	1.8
64.43588	1.3
67.05516	3.6
69.03432	3.9
69.05945	6.8
69.06376	5.5
69.07069	3.0
69.26591	1.5
71.04989	1.7
76.22345	1.2
79.05488	5.9
81.03422	5.0
81.07050	6.4
83.04974	1.8
85.02908	8.0
85.06566	2.4
91.05498	4.1
93.07053	7.6
95.08620	5.5
97.02909	2.9
97.06552	1.7
97.10167	2.0
98.22507	2.7
99.04453	2.0
103.05486	7.8
105.07016	7.5
107.04965	9.8
107.08606	3.9
107.27074	1.2
109.02879	3.7
109.06514	3.1
109.10148	2.7
117.07035	2.4
119.08588	5.3
120.05718	5.1
121.06506	4.4
121.07576	1.1
121.10140	2.9
123.11721	2.1
125.06063	1.7
125.09655	1.5
131.04877	1.7
131.08530	2.2
133.02733	1.3
133.10141	2.7
135.08049	7.4
135.11714	1.9
137.05972	3.8
139.03906	3.6
139.07532	1.6
143.08574	1.9
144.09067	1.3
145.05022	1.6
145.06526	3.0
145.10130	2.5
147.04410	6.2
147.11690	4.5
148.05194	5.3
149.05907	2.1
151.11234	1.4
152.04182	1.3
154.06236	25.6
157.10110	1.5
159.11679	1.4
161.06017	1.7
163.07526	25.5
164.07877	1.5
165.05493	8.0
165.12723	1.7
167.07042	3.2
169.12239	2.2
172.05090	1.7
174.68636	1.4
175.11191	2.0
180.07814	58.0
181.04956	3.4
181.08571	9.5
182.08937	3.3
189.16411	3.9
193.12201	1.4
195.10167	100.0
196.10483	3.7
211.13374	1.5
213.11234	3.7
217.12306	3.0
218.05551	1.5
234.08322	1.7
235.13251	2.5
235.16887	3.0
247.14427	1.5
253.14374	5.2
257.20227	1.3
370.48892	1.4
432.17319	4.6
432.27310	1.6
433.17596	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01902	2.5
55.05497	4.5
57.07077	4.2
67.05495	15.6
69.03416	5.3
69.05936	1.9
69.07044	3.0
70.06603	3.5
70.80838	6.2
71.05003	3.7
72.08157	3.3
79.05492	4.7
81.03423	5.3
81.07055	4.3
83.04975	6.5
85.02898	10.9
85.06538	10.4
86.09702	4.1
91.05482	6.1
93.07041	7.3
95.04971	5.5
95.08611	70.5
97.02893	6.6
97.06514	3.9
99.04426	3.0
105.07027	9.1
107.04942	3.0
107.08584	9.2
109.02879	4.7
109.06532	2.9
109.10187	2.7
111.08093	1.9
113.06002	13.1
117.06964	2.7
119.04919	3.2
119.08575	15.0
120.08092	3.3
121.02855	8.6
121.06513	4.1
121.10136	6.6
123.04428	8.4
123.08064	25.1
124.07616	4.1
127.03947	3.5
129.05489	3.5
129.07028	2.3
131.08595	2.9
133.06468	3.9
135.08060	2.5
135.11726	12.5
137.02359	72.3
137.03436	6.6
137.05943	4.8
137.09583	2.9
139.03932	10.6
142.05011	3.4
142.08636	3.0
147.04410	3.4
147.08098	3.3
147.11668	7.6
149.05988	3.4
149.09633	27.3
151.03949	2.5
161.06035	5.4
161.13264	14.8
163.07556	4.7
163.11212	9.5
165.09145	2.7
165.12721	7.8
167.07077	2.8
175.07558	3.0
177.05475	5.3
179.14363	3.6
180.10233	2.7
189.09183	3.4
189.12746	17.4
191.07053	5.2
195.59074	2.4
203.03418	9.3
207.13814	100.0
208.14163	6.0
231.02831	3.9
235.09688	8.8
235.89061	2.2
249.36771	2.6
269.03973	2.2
270.13553	3.5
271.06149	4.3
280.08145	2.9
280.11798	2.7
315.04919	4.5
327.08612	9.3
337.81958	2.3
343.11935	3.2
355.08655	3.0
371.07468	4.4
389.08185	2.7
389.12360	26.0
415.10562	11.7
432.19199	14.8
433.11282	45.3
433.16745	6.2
433.24023	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	432.28
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05002	0.6
69.06293	2.2
69.06721	3.1
73.06549	1.6
87.04457	5.9
88.04037	0.6
89.06025	100.0
90.06353	0.9
98.22581	1.0
107.07053	1.8
117.09129	0.5
131.07033	2.0
133.08594	60.8
134.08928	1.2
137.05963	1.5
152.67773	0.5
153.01788	0.8
175.09685	1.5
177.11203	20.7
183.06230	0.5
195.12276	0.6
221.13823	3.6
235.09581	0.6
239.14832	0.8
283.17520	1.2
327.20187	1.8
371.22714	2.1
415.25342	10.0
433.16248	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.6
55.01868	7.5
55.05515	32.2
57.03437	4.7
58.15979	3.9
58.67263	3.4
67.05508	43.1
69.03427	4.8
69.07078	19.2
70.34389	11.3
71.04984	9.2
74.50652	4.0
79.05482	37.0
81.07056	57.2
83.04977	16.8
83.08613	16.8
85.06560	10.1
87.04455	6.2
91.05482	27.2
93.07050	41.8
95.04958	12.0
95.08602	42.4
97.06531	14.2
97.10164	37.9
104.88391	3.6
105.07001	24.6
107.04958	13.8
107.08591	45.3
109.06515	14.7
109.10130	18.8
111.04456	14.2
111.08083	15.0
113.06004	22.9
117.07021	14.1
119.08566	21.3
121.06507	19.5
121.10149	27.8
123.04423	12.4
123.08015	5.2
123.11728	7.4
125.09640	27.3
131.08533	18.6
133.10121	12.2
135.08060	10.7
135.11670	13.1
139.07565	7.3
139.11186	10.3
141.06970	4.6
143.08549	4.7
145.06467	3.8
145.10191	18.9
147.11694	11.4
149.09633	4.6
149.13254	13.8
151.07526	17.4
153.09056	8.8
153.12749	10.3
157.10057	6.8
159.11693	21.7
161.05991	4.7
161.13266	5.9
163.11198	5.8
163.14793	9.1
167.14308	11.0
169.10118	5.6
171.11612	8.0
173.11903	6.5
173.13235	23.0
177.12781	9.7
179.07042	43.3
187.11185	14.8
187.14835	6.2
189.11176	26.4
189.16168	4.0
191.14317	12.8
195.13887	5.2
197.08093	100.0
197.13126	4.0
199.14751	9.0
205.12285	27.4
209.15385	12.8
211.11374	3.6
211.14853	4.5
223.13283	18.2
237.14832	15.1
237.18477	15.4
241.14336	41.0
242.14537	4.0
333.07520	6.5
343.18811	6.4
343.22589	8.7
353.04202	4.2
357.01212	3.8
361.23758	22.9
379.24805	50.7
380.25046	6.6
389.19244	30.5
393.88306	4.4
397.20779	4.6
397.25888	62.4
398.26242	7.1
415.16995	11.7
415.21524	25.2
415.25720	4.3
433.18228	8.2
433.31097	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	433.1133
Annotation	Kaempferol 4'-rhamnoside
Peak:m/z	Relative Intensity
52.08344	1.6
53.03942	3.1
55.05516	3.5
57.03453	3.5
67.05515	4.3
69.03433	5.0
69.07077	2.2
71.04993	30.4
73.02969	2.2
78.55945	1.7
79.05492	3.9
81.03422	5.2
81.07059	5.9
83.04988	4.0
83.08608	1.9
84.08184	1.6
85.02905	31.0
85.06567	1.7
87.04467	1.7
91.05475	4.0
93.07034	9.5
95.04980	2.5
95.08566	7.8
97.02884	2.0
97.06544	4.0
98.23432	3.0
99.04480	3.2
105.07035	6.1
107.04971	1.8
107.08592	6.1
107.58086	1.5
109.02870	4.2
109.06561	2.9
109.10151	3.6
111.04409	2.4
111.08133	3.5
119.08588	4.7
121.02889	6.3
121.06529	5.4
121.10180	2.9
123.04443	1.8
127.03920	4.6
129.05496	7.2
129.06380	1.6
131.08577	2.7
133.10138	5.7
137.09666	1.9
143.07060	1.5
145.02919	2.2
145.10120	3.1
147.11694	4.3
149.09677	2.4
149.13321	1.9
151.07587	1.7
151.11131	1.9
153.01840	3.0
157.10123	1.6
159.11783	1.9
161.13277	3.2
164.07091	5.4
167.06979	1.8
167.14366	1.6
169.12238	1.9
175.11261	3.0
175.14726	2.0
177.05542	3.1
193.12292	1.9
199.14816	2.5
211.13376	2.9
217.12248	3.6
217.15953	3.3
219.17644	1.8
228.90431	2.1
231.06465	1.8
235.13303	4.7
235.16937	1.9
253.14340	3.3
287.05499	100.0
288.05859	6.4
299.05576	2.8
329.06613	3.8
362.15427	1.8
379.08032	2.5
397.09482	3.6
415.10349	3.8
433.11331	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	433.1341
Annotation	Tachiogroside B
Peak:m/z	Relative Intensity
53.03937	1.3
55.01889	0.5
55.12027	0.2
56.03012	0.2
57.03435	0.4
57.77444	0.2
61.02916	0.3
62.28262	0.2
67.05491	0.4
69.03430	2.6
70.55579	0.2
70.62911	0.2
70.63244	0.5
71.05014	0.5
73.02907	0.7
79.05516	0.3
81.03421	2.8
81.07024	0.2
82.99423	0.2
85.02905	6.6
89.36509	0.2
91.05486	0.4
95.04938	0.2
97.02892	3.7
97.06556	0.3
99.04455	4.0
103.03940	4.4
105.07006	0.4
107.04989	0.4
109.02884	3.4
121.02825	0.4
123.04440	0.4
127.03915	100.0
127.58488	0.3
128.04243	2.0
131.04903	0.2
137.02351	5.5
137.03380	0.3
137.05952	0.6
145.04965	3.1
153.01822	0.8
161.05963	0.8
163.06046	0.4
167.07082	0.4
169.05099	0.4
181.04950	1.7
187.06006	0.9
189.09129	0.3
193.08597	0.4
207.10190	0.6
210.04324	0.3
219.10294	0.2
221.08083	0.6
230.00499	0.2
237.11049	0.3
249.07556	0.3
253.12863	0.2
271.08011	0.3
291.31152	0.2
299.09277	0.4
299.63458	0.2
315.08490	0.2
321.81387	0.2
327.08456	0.5
343.08252	0.4
345.09476	0.2
389.12396	1.5
403.13904	0.9
415.10010	0.8
433.11307	2.7
433.17114	0.7
434.11456	0.5
459.03540	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1468
Annotation	Captopril disulfide
Peak:m/z	Relative Intensity
55.86576	0.6
58.67947	0.6
69.56607	3.5
85.02913	1.0
97.02886	0.7
109.02865	0.8
114.54799	0.6
118.64315	0.7
123.04390	1.0
127.03009	0.9
127.03914	11.7
128.22484	0.6
135.04401	0.7
139.03856	3.8
145.04999	1.0
147.04399	0.8
163.03867	1.4
175.03668	6.9
181.05003	0.9
197.76402	0.7
201.05530	0.8
203.03381	0.7
229.04912	1.1
247.05901	0.7
265.06982	3.0
277.06897	0.8
319.08109	1.0
402.77936	0.6
433.14642	100.0
434.14935	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	433.1706
Annotation	Zizybeoside I
Peak:m/z	Relative Intensity
50.00312	1.8
51.69313	1.7
53.03939	3.1
55.01858	5.1
55.05507	3.8
57.03433	4.4
58.96160	1.8
61.02916	7.9
65.03928	3.1
67.05505	3.0
68.99799	2.1
69.03427	17.0
69.07056	2.1
69.17961	5.6
69.18382	10.9
69.75687	1.8
71.04983	9.1
73.02906	6.2
79.05475	6.2
81.03406	15.8
81.07056	3.8
83.04965	3.7
85.02904	58.7
86.09753	2.2
89.06026	21.4
91.03951	3.2
91.05477	69.6
93.07031	4.8
95.04959	3.8
97.02888	31.1
97.06528	4.9
99.04421	4.7
99.73387	1.7
103.05458	4.0
105.07027	4.4
107.04939	5.1
109.02850	12.7
109.06506	3.0
111.04414	2.2
115.03918	1.6
116.99839	1.8
117.05512	2.1
119.08542	3.1
120.04428	5.6
120.41165	1.7
121.02859	3.4
121.06496	5.3
123.04409	7.1
127.03914	21.7
129.06967	2.6
131.08537	3.5
132.04440	14.8
133.06525	2.9
135.04462	3.9
135.06519	7.1
135.08029	2.9
137.02344	100.0
137.03439	6.7
137.05963	55.5
138.02676	1.9
138.09175	2.8
139.03928	1.9
141.06961	1.7
145.04959	23.5
145.06171	2.6
147.04396	3.9
149.05968	7.2
149.09598	2.1
150.05473	7.0
153.01814	11.9
155.44658	1.9
159.08070	4.5
161.05969	3.7
163.03909	3.5
163.06012	6.6
163.07497	5.3
164.07854	2.1
165.05470	4.8
166.08595	4.1
167.07076	3.1
168.75047	2.0
171.06680	2.1
175.07556	3.9
177.05487	7.0
178.05811	2.3
179.07089	2.1
180.07744	2.5
181.04961	2.5
187.07550	2.3
189.05502	1.8
191.07019	2.5
191.10648	2.7
193.04955	2.7
195.10178	1.8
205.04909	2.3
205.08640	2.4
209.04436	1.9
209.11688	6.5
210.06763	2.5
217.08614	3.9
218.08058	6.5
219.06612	2.4
219.10124	3.6
237.11246	5.2
249.07497	2.5
254.10263	2.9
271.05960	4.0
272.11267	33.9
275.01788	1.9
299.09174	5.7
315.04874	2.7
327.08499	13.6
329.10065	4.4
343.08093	4.8
345.09634	6.3
371.07532	5.3
371.11517	4.0
388.85846	2.4
389.08292	2.2
389.12411	28.8
390.12546	2.6
397.09232	2.3
415.10168	15.4
433.11206	57.5
433.16843	5.0
433.24057	2.6
434.11536	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	433.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18689	1.0
55.01873	2.4
55.05504	6.6
57.07075	2.5
59.72284	0.9
66.65079	0.9
67.05499	9.6
69.03423	1.7
69.07062	6.7
70.47787	2.4
71.05001	1.2
73.22620	1.0
77.03957	1.3
79.05492	9.9
81.07060	18.2
81.07508	1.9
83.04987	3.9
83.08626	3.9
85.06523	2.5
91.05486	11.6
93.07050	12.7
94.07388	1.5
95.04974	2.5
95.08604	16.3
97.06503	2.4
97.10143	2.3
103.05447	1.7
105.07029	15.0
105.08734	1.0
107.08595	15.6
107.09260	1.5
109.06509	3.2
109.10152	11.0
111.08096	2.3
115.05461	1.2
117.07043	3.7
118.61665	1.2
119.08572	23.0
120.08883	1.5
121.06513	2.4
121.10149	10.9
123.08093	2.4
123.11708	3.0
125.05993	1.2
125.09641	1.2
128.06230	1.2
129.07019	2.9
131.08546	11.5
133.10129	17.6
135.04385	1.3
135.08072	1.8
135.11696	6.4
137.05971	1.8
137.09644	4.2
141.06946	1.1
142.07751	2.2
143.08583	7.1
145.10129	15.9
147.08067	1.5
147.11700	9.8
149.05984	1.1
149.09634	2.5
149.13272	4.1
153.09137	1.4
155.08539	2.6
155.10713	1.6
156.09335	2.6
157.10138	9.3
159.08020	1.3
159.11676	11.8
161.06094	1.1
161.09700	2.9
161.13255	6.1
163.07544	2.4
163.11174	2.2
163.14886	2.2
165.09085	1.7
167.08650	1.5
169.10129	6.5
170.10957	3.3
171.11687	9.4
173.13242	6.3
175.14861	6.8
177.08960	2.6
177.12790	1.3
177.16435	1.6
181.08575	1.8
181.10118	1.8
182.10768	1.2
183.11713	4.7
184.12416	1.4
185.13281	10.0
187.14775	7.3
189.09160	1.6
189.16359	5.2
191.17964	1.4
193.10088	1.3
195.11751	2.5
196.12485	1.4
197.08121	1.9
197.11523	1.5
197.13231	9.0
199.11237	1.5
199.14822	11.7
201.12859	1.3
201.16353	7.4
203.10663	1.1
203.17960	1.6
205.12285	2.2
207.10107	2.1
207.11836	1.5
209.08144	3.6
209.13324	3.2
211.14825	5.8
213.16447	4.4
215.17935	1.9
221.13297	1.7
223.14940	2.4
225.16403	3.8
227.17934	1.3
229.08414	1.4
229.15862	1.8
231.17378	1.8
233.11592	1.5
237.16502	1.7
239.18016	2.7
241.19597	2.1
243.13716	1.1
243.17426	1.3
245.04077	5.0
245.15302	1.2
246.04956	10.4
247.17107	1.7
249.16559	1.4
251.12918	2.2
251.18091	1.3
253.19560	1.6
261.07507	1.1
263.17886	1.9
277.19388	1.5
291.20978	1.7
301.13998	1.4
303.21054	1.3
313.13513	1.1
331.24527	2.0
335.16156	1.4
343.18750	12.3
353.17258	4.4
367.30017	2.1
369.16660	4.0
371.18314	25.4
371.22617	1.9
372.18588	1.7
377.24908	2.0
387.17847	4.4
387.30576	8.2
389.19327	93.4
390.19650	9.7
397.16238	6.9
405.31577	2.3
415.17255	100.0
416.17651	9.2
433.17944	18.1
433.31052	46.5
434.18503	1.7
434.31433	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	433.2219
Annotation	Grandisin
Peak:m/z	Relative Intensity
52.20316	1.2
53.03933	1.3
55.01870	4.0
55.05518	5.2
57.03447	1.1
57.07065	2.8
59.04987	1.2
65.67160	1.1
67.05503	11.7
69.03426	5.8
69.07069	5.8
69.15192	9.7
71.05000	6.9
71.08620	1.9
79.05475	5.7
81.07053	13.6
83.04977	2.8
83.08628	2.4
84.73251	1.0
91.05468	5.0
93.07037	7.8
95.04967	3.8
95.08611	15.0
97.02915	2.4
97.06528	7.8
97.10155	1.6
99.04474	2.5
105.07034	7.4
107.08601	7.9
109.06511	7.1
109.10144	8.2
111.04476	1.5
111.08067	1.5
113.09663	1.7
117.07013	1.6
119.08588	5.1
121.06499	3.4
121.10160	7.1
123.04411	1.7
123.08105	3.5
123.11729	3.3
125.05996	2.7
129.06995	1.6
131.08560	3.9
133.10133	8.0
135.04398	2.2
135.08070	3.4
135.11688	5.1
137.05986	1.5
137.09618	12.8
139.07607	1.4
139.11211	2.8
141.09129	6.3
143.08575	3.1
144.31393	1.2
145.10094	3.1
147.08057	1.5
149.05971	4.3
149.09624	3.4
149.13197	1.7
151.07535	6.2
151.11201	5.8
153.05363	1.4
153.09180	1.2
157.10085	1.3
159.08066	1.9
159.11633	2.2
161.09669	5.3
161.13280	3.5
163.07668	2.3
165.09138	1.9
167.07065	5.1
167.10765	2.3
167.19403	1.2
169.08661	1.5
173.13274	2.1
177.09119	3.2
177.12758	2.2
179.07007	5.3
179.10693	4.9
185.08105	14.4
185.13344	1.3
189.12753	1.9
193.12305	3.0
197.08078	5.7
201.12794	2.4
203.14314	2.8
205.08578	2.0
205.12117	1.7
207.13771	2.5
219.13727	6.1
221.15300	6.1
223.09775	2.1
235.13300	11.3
237.14871	6.4
247.13301	10.1
249.14891	12.9
253.14323	3.3
257.11658	1.6
264.13528	1.7
265.14316	12.6
266.14807	1.3
275.12802	14.7
275.15924	2.2
293.13898	4.9
313.27353	3.6
317.17551	2.5
318.18198	1.4
319.18982	1.6
327.15726	2.7
345.16974	12.3
363.17981	32.7
364.18420	3.5
373.16306	1.9
389.23303	1.5
391.17361	5.2
397.20178	1.5
401.45871	1.3
415.21063	8.7
433.22305	100.0
433.29596	6.4
434.22540	9.9
442.35995	1.3
452.28583	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.222
Annotation	Melleolide B
Peak:m/z	Relative Intensity
51.81068	1.5
53.03949	2.7
55.01867	1.5
55.05510	5.7
55.63444	1.5
57.07075	1.5
65.03969	1.3
67.05495	11.2
69.07066	9.5
69.11526	1.3
79.05485	9.2
80.09961	1.5
81.07054	18.5
82.07399	1.5
83.04987	2.2
83.08615	3.8
85.06534	1.4
91.05477	13.2
93.07037	11.9
95.04971	3.3
95.08601	16.1
98.22559	3.1
103.05480	2.5
105.07027	17.6
107.04935	3.4
107.08589	15.3
109.06539	4.4
109.10165	9.0
109.75176	1.7
111.08096	2.6
117.07038	5.9
119.04990	1.7
119.08561	21.2
121.06522	4.2
121.10142	12.6
123.04432	2.7
123.08062	2.4
123.11703	4.0
124.05206	2.4
125.09603	2.7
128.06207	2.6
129.07039	2.7
131.06998	1.7
131.08568	11.7
133.06508	3.3
133.10109	14.2
135.04385	1.9
135.08075	3.3
135.11703	5.6
136.05199	2.4
137.02351	2.7
137.06017	3.6
137.13254	1.4
138.06757	8.0
139.07574	3.0
141.07005	1.9
142.07819	2.7
143.08539	8.8
144.09300	1.5
145.10109	17.6
147.04388	2.0
147.08086	3.0
147.11678	8.0
148.05179	10.2
149.05908	2.6
149.09654	1.7
149.13306	3.7
151.03888	3.6
151.07562	5.2
153.05450	2.0
154.06221	12.3
155.08534	5.3
156.09258	2.0
157.10110	12.2
158.10794	2.0
159.08064	1.9
159.11656	13.0
160.12201	1.5
161.13306	6.5
162.06728	2.6
163.07576	5.2
163.11292	1.9
165.05493	4.5
165.09155	2.1
166.06256	15.9
167.06941	2.1
168.07889	2.1
168.09270	2.2
169.08623	15.0
169.10146	5.6
171.08125	1.7
171.11693	9.0
173.09618	12.4
173.13268	11.9
175.14774	7.4
177.09065	2.5
178.09947	6.1
179.07001	3.5
180.07773	4.0
181.08592	100.0
182.08987	3.7
183.11757	5.6
184.12497	1.6
185.05981	1.7
185.13269	12.1
187.11198	1.7
187.14842	8.8
189.09177	3.0
189.16388	3.6
191.10660	2.2
192.07816	1.9
194.09348	8.9
195.06503	25.1
195.10164	18.2
195.11693	3.0
197.08064	7.5
197.13281	4.4
199.14838	12.3
201.09120	10.1
201.16344	9.6
202.09848	1.8
206.09402	1.7
207.11832	3.2
209.11682	21.7
210.12032	2.1
211.14857	4.3
213.12915	3.3
213.16475	5.6
215.17961	2.8
216.11449	37.2
217.08655	4.9
217.12151	4.3
217.82852	1.5
221.13382	2.3
223.14874	4.2
225.16479	2.9
227.14328	2.4
227.17990	1.8
229.15758	2.3
232.10867	9.7
233.11440	2.1
235.15001	2.2
237.14676	1.9
239.17940	1.8
247.13252	44.1
247.17093	1.9
251.18080	1.7
263.17883	2.3
265.14307	26.4
265.19736	1.8
266.14499	2.5
271.86139	1.6
304.21616	1.9
317.22607	1.8
325.21826	1.9
331.24173	3.4
339.23029	1.6
340.43222	1.6
345.25931	1.9
377.24713	3.2
381.58426	1.6
387.30542	7.0
388.09042	2.0
405.31683	1.9
415.30106	4.9
433.31140	51.5
434.31671	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	433.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.7
55.05504	1.4
57.07076	0.9
59.05001	1.8
67.05497	3.1
68.99796	3.1
69.03431	0.9
69.07071	2.3
71.04985	2.3
79.05470	1.2
81.07069	1.8
83.04985	1.5
85.06538	4.2
87.04463	1.3
91.05496	1.0
93.07071	3.9
95.04963	9.7
95.08626	2.2
97.06534	3.3
105.07040	2.5
107.08597	2.1
109.06515	12.5
109.10178	1.2
111.08099	8.6
113.06004	29.3
115.05444	0.8
121.10126	5.6
123.04433	18.8
123.11683	1.3
127.03913	2.1
133.06508	2.4
133.10120	1.7
135.08095	1.0
135.11752	0.9
137.05992	2.8
137.09627	1.0
139.03896	1.4
139.07536	1.2
139.11169	10.1
140.56058	0.9
149.09572	4.0
149.13231	1.9
150.10294	1.5
150.35799	0.8
151.07542	30.8
152.07870	1.0
155.07053	3.4
161.05966	14.6
163.07530	0.9
164.04662	2.0
167.10693	3.7
173.13196	0.9
178.06308	1.2
179.07028	75.6
179.72214	0.8
180.07387	2.8
181.11395	0.8
188.76195	0.8
191.07069	2.2
191.14366	2.0
197.08089	100.0
198.08414	4.0
204.12021	0.8
209.15346	2.6
233.11571	1.1
237.14859	17.9
237.17099	1.5
238.15256	1.4
251.12920	2.4
301.10803	3.2
313.14383	1.1
353.20999	0.9
387.21539	2.4
415.21109	30.4
416.21353	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	433.2346
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
51.13309	1.3
53.03949	3.0
53.82724	1.3
54.46498	1.2
55.01886	2.3
55.05511	11.9
57.03431	10.2
57.07073	4.3
60.12965	1.4
60.14006	1.3
65.03940	2.8
67.05501	63.2
69.03442	1.5
69.07062	14.0
71.08614	2.2
75.04479	2.7
79.05489	30.5
81.07052	69.3
83.08623	8.9
85.06544	1.9
87.01491	1.3
91.05466	19.8
93.06441	2.4
93.07038	46.4
95.04972	3.3
95.08601	52.1
96.08972	1.8
97.06525	1.9
97.10162	2.5
98.98463	100.0
105.07034	19.6
107.08591	33.6
109.10150	29.2
117.07005	7.8
119.08568	18.6
121.10136	24.1
123.08081	2.9
123.11710	13.1
129.06985	1.8
131.08566	16.2
133.10107	13.5
135.08064	1.6
135.11688	22.1
136.11954	1.4
137.13232	3.2
143.08551	3.4
145.10129	15.1
147.11711	11.1
149.09682	1.7
149.13249	13.5
151.14856	2.0
155.01077	9.6
157.10132	4.4
159.11723	11.5
161.13263	7.6
163.14851	8.8
169.10126	2.1
171.11682	2.7
173.02087	17.3
173.13252	14.0
175.14828	4.8
177.12778	1.8
177.16341	2.8
183.11665	2.2
185.13191	1.8
187.14799	7.1
189.16394	2.2
197.13274	2.0
199.14905	2.7
201.16423	3.3
211.14777	2.4
213.16499	2.4
225.16251	2.1
233.22643	3.4
239.17891	1.8
243.21071	16.5
261.22128	52.7
262.22583	2.6
279.23309	1.7
317.24695	8.5
335.25778	81.1
336.26257	9.4
387.30502	1.6
415.22543	1.9
433.08914	1.6
433.31143	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	18.1
55.05517	21.1
57.03432	5.4
57.07070	7.9
57.67654	2.6
59.29731	2.5
60.84764	2.4
65.03931	2.9
67.05505	38.3
69.03442	4.0
69.07074	31.1
69.32812	19.3
71.04997	7.0
73.02912	13.6
79.05489	34.7
79.74110	2.6
81.03407	3.6
81.07057	67.1
83.04979	13.9
83.08633	13.7
85.02913	20.8
85.06542	21.8
91.05470	36.4
93.07047	73.0
94.07368	3.1
95.04972	11.0
95.08604	96.4
96.08961	2.7
96.86064	2.2
97.06550	13.1
97.10184	9.1
99.04427	4.1
101.02386	35.5
103.05459	2.8
105.07030	52.4
107.04932	4.9
107.08594	100.0
108.08990	2.5
109.06538	4.9
109.10152	53.5
111.04449	30.7
111.07435	2.5
111.08073	16.7
111.79489	2.7
115.05454	2.8
117.07012	8.4
119.04886	4.3
119.08575	83.1
120.08855	3.2
121.06525	8.5
121.10147	64.7
123.08067	8.4
123.11713	30.0
125.05993	5.1
125.09604	6.6
129.07018	6.8
131.08577	21.4
133.06503	5.9
133.10129	56.7
135.08070	9.0
135.11690	64.8
135.12656	4.4
137.09618	8.5
137.13243	8.0
139.03917	2.9
139.07558	33.5
139.11180	5.3
141.06937	2.9
142.07762	4.0
143.08557	12.1
145.06487	3.0
145.10121	34.2
147.08055	21.0
147.11703	38.6
149.09644	10.2
149.13252	24.3
151.07542	5.8
151.11151	6.3
153.09120	4.0
153.12785	2.8
154.90807	2.2
155.07175	2.6
155.08545	3.9
156.09372	3.6
157.08623	20.2
157.10143	15.2
159.08105	3.9
159.11678	35.3
161.09621	12.1
161.13261	33.5
163.07567	8.6
163.11182	4.3
163.14833	12.8
165.09100	4.9
165.12697	3.9
167.07112	2.4
169.10110	12.6
171.11705	16.7
172.07118	2.5
173.09618	2.8
173.13210	20.3
174.13832	2.4
175.07538	23.1
175.11224	6.4
175.14844	22.9
177.09114	20.4
177.12729	3.7
177.16458	2.7
179.10686	6.8
179.14317	2.8
183.11679	12.5
185.13313	11.5
187.11209	2.6
187.14780	24.0
189.09123	27.0
189.12784	7.2
189.16385	43.4
190.09523	3.1
190.16702	2.7
191.10666	8.7
191.17955	22.8
192.18484	2.5
193.08513	3.1
193.12271	4.1
195.11711	5.5
195.13791	2.6
197.08167	2.8
197.13277	13.2
199.11360	3.4
199.14848	8.6
201.12636	4.3
201.16380	23.1
202.36276	2.9
203.10724	4.0
203.17976	14.1
205.12234	3.3
207.10216	6.7
207.17441	34.5
209.13350	5.3
211.14822	7.7
213.12730	3.1
213.16385	6.5
215.14342	7.0
215.17979	9.3
217.12306	7.0
217.19467	5.0
225.12732	2.9
227.14362	4.6
227.18062	5.3
229.12282	5.2
229.15868	4.1
231.13785	7.4
231.21158	4.1
233.15306	5.5
237.16397	3.0
241.12202	3.4
241.15985	3.1
241.19511	3.9
243.13795	9.5
245.15503	3.4
247.13339	3.0
249.14656	4.5
251.12686	2.7
253.19337	2.7
257.15216	5.4
259.16928	4.3
261.14871	11.4
263.16336	3.4
275.16455	3.9
283.16946	2.7
297.18439	2.9
301.18060	2.9
351.26932	7.4
369.27750	13.8
369.31857	4.1
375.55872	2.5
379.26245	56.5
380.26669	7.9
387.28918	10.3
397.27353	99.2
398.27737	13.0
415.28265	45.2
416.28745	7.3
433.17899	7.1
433.29169	49.3
434.29950	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	433.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.5
55.01872	3.0
55.05265	3.1
55.05512	46.7
57.03430	2.2
57.07058	5.5
59.04979	5.1
65.03932	2.6
67.05502	58.5
69.03419	2.6
69.07067	22.4
69.22797	17.8
71.04982	6.7
79.05493	26.4
80.05785	2.4
81.03416	3.2
81.07056	69.0
83.04985	12.8
83.08616	14.2
85.06533	5.2
91.05486	21.3
93.07052	31.9
95.04954	9.0
95.08029	3.7
95.08602	58.8
97.06524	8.3
97.10154	11.4
98.23396	3.1
99.08103	3.7
101.05345	4.4
101.06016	81.6
105.07043	17.6
105.07697	3.1
107.04961	3.6
107.08586	24.2
109.06490	4.3
109.10150	34.1
111.08070	4.7
111.11717	2.7
117.07013	6.9
119.04935	2.1
119.08563	13.8
121.06487	3.9
121.10149	23.2
123.08067	3.3
123.11697	17.0
125.09621	6.5
129.07030	6.1
131.04970	2.2
131.08572	12.4
133.10129	12.0
135.08012	4.4
135.11685	13.4
137.05988	5.3
137.09573	5.6
137.13264	5.0
139.11189	5.6
141.06941	2.7
143.08525	6.4
145.06404	3.0
145.10086	12.0
147.11719	10.6
149.06033	3.0
149.09612	7.6
149.13252	6.1
151.07567	3.4
151.11192	2.5
155.08472	3.2
157.10213	2.5
159.08109	2.3
159.11708	9.4
161.09502	2.4
161.13274	8.4
163.11209	2.6
163.14796	3.4
165.12741	4.6
169.10197	3.0
171.11728	3.4
173.11763	2.8
173.13246	5.7
175.11162	2.4
175.14819	2.9
177.09085	3.4
179.14305	3.0
183.10194	3.9
183.11780	2.3
185.13228	2.7
187.11150	3.4
187.14757	5.0
187.27301	2.1
189.11253	3.9
189.12769	4.4
193.08685	2.4
195.06522	3.4
195.13930	2.3
197.08200	6.7
197.13161	3.1
207.17305	2.0
209.08032	3.3
209.15398	3.9
243.21120	8.0
251.12646	2.9
261.22125	21.7
279.23181	100.0
280.23566	6.4
297.24109	13.1
323.19772	2.4
326.27353	2.2
341.21021	13.6
399.23630	2.5
433.25775	4.4
433.30911	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	433.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.8
55.01863	1.0
55.05510	7.3
57.03438	1.6
57.07054	1.2
58.07844	0.5
61.24600	0.7
63.54895	0.6
67.05510	9.6
69.03426	1.3
69.07075	7.9
69.84677	1.0
69.85085	2.4
71.04981	2.1
74.70479	0.6
79.05489	6.9
81.03426	0.7
81.07052	18.5
83.04971	2.3
83.08626	3.8
85.06542	100.0
86.06866	1.3
91.05484	7.6
93.07037	14.3
95.04971	2.4
95.08607	16.2
97.06535	1.8
97.10159	4.4
98.22559	0.8
99.04424	1.0
99.08096	2.3
103.05466	0.8
103.45276	0.8
105.07027	12.2
107.04987	0.8
107.08596	12.5
109.02880	1.2
109.06519	1.6
109.10150	8.4
109.20230	0.7
111.08082	2.0
113.06004	0.7
117.07031	2.3
119.08578	11.4
120.08898	1.1
121.06509	2.3
121.10140	11.9
123.08057	2.1
123.11704	4.5
125.06006	1.1
125.09619	3.5
129.06985	2.1
131.08592	6.5
133.06470	0.9
133.10143	10.1
135.08057	3.9
135.11693	4.8
137.05988	1.7
137.09564	1.3
137.13306	0.8
139.11169	1.1
141.06941	1.0
141.12741	0.9
143.08557	2.8
145.06497	0.9
145.10127	8.6
147.08078	1.1
147.11682	6.6
149.09595	1.7
149.13271	3.9
151.03952	1.1
151.07568	1.3
151.11226	0.8
153.09134	1.0
155.08528	1.6
156.68945	0.7
157.10161	3.7
159.11687	7.6
161.09596	2.0
161.13242	4.6
163.07527	1.6
163.11198	2.1
163.14825	3.5
165.07083	0.7
165.09286	0.7
167.10765	0.8
169.10101	0.9
171.11688	2.4
173.09659	1.2
173.13274	5.2
175.11160	1.8
175.14838	2.1
177.12755	3.0
177.16466	1.0
179.14406	0.7
181.04982	1.4
183.11639	1.5
183.66504	0.8
185.13266	2.4
187.14795	3.3
189.11234	2.2
189.12798	1.3
189.16377	2.3
191.10695	0.8
191.14273	1.8
193.10165	0.7
197.13354	1.3
199.14828	2.5
201.16469	2.3
203.18019	1.7
205.15851	0.8
209.13403	1.1
209.15282	0.8
211.14816	1.5
213.16336	2.4
215.17917	1.5
217.12277	0.9
225.16295	1.3
227.12770	2.6
227.17989	1.3
229.15865	0.8
229.19466	1.5
239.18051	0.9
243.17461	1.6
245.13683	0.9
257.15665	0.7
257.18872	1.5
275.20041	4.2
293.21103	5.1
309.11423	0.9
341.24667	1.0
357.27679	2.4
357.31717	1.5
367.30042	1.2
373.27362	1.2
385.31015	6.4
397.22342	1.0
397.31232	4.1
398.31332	0.9
415.23251	1.3
415.27286	3.8
415.32111	3.3
432.83917	0.8
433.17328	0.7
433.32608	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	434.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	9.4
55.01873	11.9
57.03439	8.7
57.95391	1.9
60.04499	2.1
61.02920	8.3
64.36157	1.9
64.99339	1.7
67.05489	2.8
68.99773	1.9
69.03429	34.8
70.58284	4.2
70.58608	2.0
71.04983	4.9
73.02904	7.8
79.05490	2.4
81.03422	33.1
81.07063	12.3
85.02901	100.0
87.00826	44.4
88.01079	1.6
91.03953	3.8
93.07029	2.0
97.02891	57.2
98.06025	2.0
99.04452	20.3
105.01863	51.2
108.04462	8.0
109.02878	40.2
117.01868	4.3
121.02932	2.7
123.11708	14.6
126.05511	5.1
127.03908	79.8
128.04208	2.4
129.01825	5.3
140.36165	2.0
145.04955	54.6
147.02864	3.9
153.01837	2.4
159.02876	27.6
192.46498	1.8
213.04066	2.4
220.99698	2.0
230.06593	3.6
231.04979	20.9
248.07690	6.0
249.05974	2.8
255.58725	1.7
302.50674	1.9
399.16409	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	434.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25850	0.8
55.01856	1.4
55.05502	1.8
57.03435	11.2
61.02922	1.0
62.06083	0.9
65.03944	1.5
69.03413	3.1
69.07047	1.0
71.04987	74.8
71.32449	1.3
72.60651	1.0
73.02905	1.8
75.04471	5.1
79.90429	0.9
81.03413	2.3
81.07024	1.0
82.36800	0.9
83.04971	9.9
85.02898	100.0
86.03246	1.7
87.04437	2.2
91.05472	23.2
97.02870	7.2
99.04461	1.4
103.03958	1.0
105.07043	1.8
111.04433	4.5
115.37165	1.0
121.02856	12.4
127.03913	3.6
129.05466	42.8
133.06477	2.2
139.03912	1.6
145.04993	3.1
145.06541	1.2
146.08043	1.4
147.06503	19.8
148.06873	1.2
151.07500	0.9
153.01791	7.9
163.06110	1.0
163.07474	1.5
164.09171	6.1
165.09061	0.9
167.07016	2.3
175.07587	2.2
180.75922	1.0
181.04919	1.3
209.11697	1.2
220.74840	1.0
229.08557	1.3
237.71562	0.9
273.11453	1.5
281.07925	2.9
303.01288	1.2
327.00128	1.1
429.63733	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.1
55.01865	1.8
57.03436	19.6
59.04990	4.1
60.04518	2.3
61.02927	4.9
65.06689	1.0
69.03426	76.5
70.03762	1.5
70.44670	1.9
70.45000	1.2
71.01334	1.3
71.05013	1.7
73.02917	5.5
81.03413	4.3
81.15282	1.0
84.44513	1.1
85.02901	88.2
86.03236	1.1
87.04463	56.8
91.03960	2.7
97.02886	66.4
98.03236	1.5
99.04438	3.7
103.54687	0.9
105.07027	11.3
109.02866	3.4
115.03922	93.9
116.04236	1.0
116.24293	0.9
123.04463	1.2
127.03904	16.9
129.07024	1.3
133.04956	100.0
134.05275	2.0
137.05956	2.8
145.04961	30.2
147.08029	2.2
150.07603	14.6
151.07559	1.5
161.05992	3.8
161.09680	1.3
163.06013	11.9
167.07083	1.4
169.04941	2.3
171.08046	2.1
181.04851	2.3
182.05327	1.5
189.09100	4.6
192.38373	1.1
201.09225	1.8
207.10176	3.9
241.07040	2.2
243.81155	1.0
259.08109	3.8
277.09073	2.5
285.13312	2.6
295.10495	1.8
303.01501	2.3
404.14005	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.5
53.91838	0.7
55.01865	1.1
56.36048	0.7
57.03434	1.9
61.02913	1.9
62.25792	0.7
67.05523	1.2
69.03427	4.9
70.18623	0.8
70.40858	2.5
71.04999	6.7
73.02892	1.1
81.03432	4.4
83.04987	1.4
85.02901	20.2
89.06028	28.5
91.03947	0.9
91.05473	1.8
94.04217	0.9
97.02890	11.7
98.22663	0.8
99.04453	3.2
103.03913	1.6
106.53243	0.9
109.02871	5.6
117.05483	3.1
121.02860	1.5
121.06469	2.3
122.03687	2.0
123.04426	2.6
125.05978	1.2
126.01152	1.0
127.03936	6.4
129.05525	0.8
131.08569	2.2
135.06543	7.1
137.02365	4.6
137.05971	100.0
138.02693	1.5
138.06314	2.8
138.09103	1.1
145.04935	5.7
147.04399	1.6
149.05951	1.5
150.06671	0.8
153.01802	1.6
153.05453	1.3
159.08058	5.6
163.06053	1.0
163.07472	0.9
165.05473	0.9
167.07056	1.4
177.05489	3.1
180.08640	0.8
181.05026	0.8
191.06940	0.8
191.10648	6.0
203.55037	0.7
205.08606	1.7
209.08214	1.0
209.11720	13.2
219.08394	1.1
219.10336	4.3
237.11212	8.4
255.12115	1.2
261.09784	2.4
264.59494	0.9
272.11209	3.4
390.12524	1.5
416.10468	1.0
434.11905	3.3
434.24191	0.9
435.12396	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26792	2.3
52.90023	2.0
53.47389	1.9
55.01868	2.3
55.05511	20.3
57.03434	3.1
61.02919	3.4
67.05501	6.3
69.03434	19.8
69.07060	5.6
69.62679	2.5
69.62992	12.1
71.04986	3.3
73.02895	5.1
79.05476	6.6
81.03417	6.1
81.07063	7.5
82.06582	7.2
82.89514	1.9
83.04964	6.4
83.08624	17.5
84.08173	2.5
85.02907	26.5
85.06576	2.8
87.04475	1.9
91.05476	9.0
93.07040	9.5
95.04977	4.0
95.08590	10.3
97.02879	8.9
97.06538	2.3
98.09692	3.0
99.04444	3.6
100.07610	7.8
100.10625	4.6
100.11252	60.6
103.05474	2.3
105.07013	21.5
107.04953	4.8
107.08592	14.3
109.02887	2.2
109.06544	3.1
109.10133	6.9
110.06037	7.0
111.04423	8.8
111.08122	2.1
113.06030	3.4
115.03921	14.2
117.07000	6.3
117.48007	2.0
117.80477	1.8
119.08575	25.5
121.10109	13.0
123.08054	2.2
123.10965	1.9
123.11711	11.0
123.12508	2.3
125.05989	3.8
125.54729	2.1
127.03909	4.2
127.08681	4.2
128.07091	3.0
129.05463	2.0
129.06946	2.4
130.07764	2.0
131.04901	3.5
131.08569	19.0
133.10106	17.8
135.11702	2.6
137.05992	12.6
139.08656	3.4
140.07036	3.4
143.07066	5.1
143.08534	7.1
145.05003	5.2
145.06479	2.0
145.10107	10.2
147.08028	6.6
147.11678	77.7
148.12019	4.8
149.05922	2.8
149.13300	9.3
153.01872	2.7
158.10925	11.5
159.08102	3.7
159.11696	13.3
161.13254	3.8
163.07574	4.5
167.07043	7.3
173.13252	69.3
174.13669	2.4
175.14861	5.0
177.12828	3.4
181.04984	4.0
182.15398	33.7
189.12720	3.4
191.14305	4.1
201.12735	21.5
207.13823	3.4
209.16479	26.7
210.14868	35.1
219.13786	34.9
219.17299	2.7
226.19130	17.6
228.15923	3.0
233.08055	8.1
237.14838	100.0
238.15312	3.9
255.15846	7.4
285.11124	2.9
303.01248	11.9
306.00800	1.8
336.22827	20.7
343.11700	2.7
417.15576	2.2
417.32132	5.6
434.27658	2.0
435.33344	50.9
435.39273	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	434.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.3
55.01869	2.5
55.05506	22.3
57.03452	5.1
57.07065	2.7
58.39009	2.2
59.05003	6.3
61.02925	2.7
67.05513	20.1
69.03427	17.5
69.07061	14.0
70.69561	5.5
71.04994	10.3
73.79412	2.3
79.05502	4.4
81.03444	5.3
81.07063	18.9
83.04980	100.0
85.02905	40.4
85.06549	18.5
86.06865	3.5
87.04474	3.3
91.05491	7.9
93.07038	11.0
95.04971	4.6
95.08605	19.3
96.06619	2.4
97.02914	7.8
97.06530	29.5
98.60524	2.7
99.04459	14.9
105.07033	10.7
107.08579	12.7
109.02886	9.0
109.06522	2.6
109.10162	59.5
110.10505	2.5
111.04451	5.4
111.08101	5.0
111.11748	12.6
113.05999	4.1
119.08577	13.9
120.33520	2.2
121.06532	4.5
121.10146	10.8
123.08092	6.5
123.11722	8.5
125.09625	7.4
127.03848	4.9
129.07047	2.4
131.08615	5.2
133.10143	12.4
135.11708	11.2
137.05963	3.9
137.09621	43.2
139.07509	3.9
139.11218	12.5
141.09138	4.0
145.04961	5.6
145.10159	11.1
147.11676	2.6
149.09628	7.4
149.13280	4.0
151.07516	2.6
151.11223	4.4
151.81767	2.5
153.09131	10.4
155.10657	34.3
159.11681	17.4
161.13255	3.3
165.09122	3.3
167.06970	2.9
167.10681	20.6
167.14272	2.3
167.29655	2.3
171.10184	3.7
173.13298	7.7
174.13487	2.3
175.14839	3.7
179.10678	4.4
181.08678	3.5
183.08524	3.9
183.10175	83.0
191.14253	2.5
193.15944	5.1
199.09653	41.9
199.11328	3.2
201.16377	14.1
209.15372	36.3
219.17436	29.2
220.17740	2.9
237.14828	53.9
237.18604	5.5
255.15932	9.8
255.19582	11.7
344.93002	2.7
426.38037	2.6
434.11496	2.7
435.19815	3.9
453.80295	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	434.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	12.8
57.03413	5.0
57.07081	7.2
62.07663	4.5
65.83694	4.9
67.05500	15.3
69.07055	10.9
69.56013	22.9
71.04990	28.2
79.05478	16.5
81.07068	26.8
83.08626	16.3
83.29340	4.9
85.02895	13.6
91.05504	7.3
93.07050	30.7
95.08605	50.9
96.92004	4.5
98.82982	4.9
99.93734	4.9
105.07046	38.5
107.08578	32.8
109.10139	12.3
119.08577	13.8
120.68288	4.8
121.10116	21.5
123.11668	5.9
125.09605	13.5
127.03941	6.3
131.08540	6.3
133.10129	37.9
135.11713	5.3
143.10663	20.1
145.10088	13.5
147.11708	30.4
149.13295	32.7
159.11642	12.5
161.13289	8.4
167.14311	100.0
168.14716	5.7
170.50833	5.7
201.16377	9.5
219.17430	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	434.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	9.1
69.03423	8.7
69.07052	7.7
69.26826	41.3
69.66209	5.4
70.56595	5.2
71.05008	34.1
79.05474	14.6
79.95090	5.2
81.03418	7.8
81.07059	37.5
85.02905	19.1
85.06514	9.7
89.65182	5.3
91.05476	13.2
93.07038	24.3
95.08593	24.2
97.22470	6.1
98.23418	6.1
99.08072	11.7
105.07021	48.8
107.08568	26.6
109.10144	19.4
119.08575	21.8
121.10148	14.8
123.04381	7.2
123.11755	8.6
125.09627	29.3
127.07555	10.7
127.11207	8.9
131.08521	12.4
133.10126	100.0
137.05997	9.4
143.10657	43.9
145.10147	15.8
147.11722	15.4
149.13264	20.4
159.11720	11.1
161.13261	7.0
167.14319	40.9
169.12221	6.6
176.66231	6.3
181.08607	75.2
192.09244	6.1
195.10231	5.9
201.16367	13.1
209.06421	7.6
219.17459	69.8
220.17871	6.9
237.14813	17.4
237.18518	9.1
255.15816	7.6
280.48260	5.4
298.97379	6.6
317.15372	6.0
350.76260	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	434.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	15.3
57.70937	11.7
65.03961	15.1
67.05500	25.0
69.03442	16.1
69.07072	23.9
71.04992	43.5
71.34261	18.2
79.05492	43.5
81.07063	57.2
85.02898	14.9
87.20568	13.7
88.92410	12.5
91.05479	50.2
93.07053	49.9
95.08617	52.5
99.08116	19.6
103.05447	16.9
105.07065	63.6
107.08611	49.0
109.10159	33.7
114.30474	13.7
119.08586	21.6
121.02859	47.7
121.06532	13.3
121.10133	23.9
123.04445	21.8
125.09663	37.6
131.08623	15.6
133.10129	100.0
137.05948	28.4
143.10686	62.0
145.84070	13.3
147.07932	14.2
147.11684	28.5
149.13278	47.5
153.01828	16.2
153.05421	13.5
159.11665	20.5
161.13194	16.6
167.07059	40.7
167.14354	87.5
181.04976	14.8
201.16534	19.7
209.08014	15.0
219.17418	100.0
237.18533	25.0
238.41150	13.2
356.29559	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	434.275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05532	16.4
65.45963	15.1
69.37411	100.0
71.04992	28.9
79.05505	30.3
81.07040	53.5
88.39586	15.3
91.05479	24.4
93.07037	56.8
95.08602	66.4
97.69849	17.1
98.23368	19.0
105.07040	96.7
107.08582	54.4
109.10180	22.9
117.07102	17.4
119.08582	73.3
125.09631	29.0
131.08597	23.4
133.10149	74.2
143.10681	32.0
145.10155	33.6
147.11714	46.1
148.34340	15.0
167.14287	43.7
169.86382	16.9
198.26480	15.5
201.16451	38.6
219.17358	22.4
290.60654	18.1
308.44559	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	435.0556
Annotation	Ellagic acid-4-O-beta-D-xylopyranoside
Peak:m/z	Relative Intensity
55.01868	0.1
57.03433	2.2
57.64993	0.1
58.03993	0.1
58.73650	0.1
61.02918	0.6
69.03423	2.3
69.22312	0.8
71.01286	0.1
73.02911	4.1
79.05508	0.2
81.19003	0.1
85.02887	0.7
85.03320	0.1
91.05481	0.3
97.02886	2.4
98.03194	0.1
103.05468	0.1
105.07008	0.9
106.07353	0.2
107.04945	0.2
115.03927	2.2
117.03341	0.2
119.04927	0.2
121.02847	1.7
135.04430	0.1
137.05966	0.2
145.02852	0.4
147.04390	0.6
151.03922	0.2
153.01837	0.9
153.02945	0.2
154.02129	0.1
157.02829	0.4
161.06041	0.2
163.03906	0.3
163.07445	0.1
167.07037	0.3
173.02365	1.1
175.03906	0.6
181.04889	0.2
185.02330	0.5
189.01970	0.1
189.09114	0.3
191.03404	0.7
201.01810	3.6
202.02274	0.1
203.03384	0.7
205.01236	0.1
207.02922	0.2
213.01816	1.1
217.01280	0.5
219.02905	0.9
229.01321	4.1
231.02898	1.2
241.01276	0.9
247.02367	4.5
248.02692	0.2
257.00784	12.7
258.01221	0.7
259.02332	1.8
275.01834	11.1
275.76282	0.1
276.02167	0.7
285.00281	10.9
286.00812	0.8
303.01312	100.0
304.01648	6.4
304.05182	0.3
330.11069	0.2
435.05667	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0923
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
58.04613	0.5
61.02909	1.8
63.67791	0.5
68.98117	0.5
69.77174	2.4
73.02920	12.6
91.22194	0.6
95.04962	0.6
109.02898	0.7
111.00807	1.1
114.72383	0.5
118.33841	0.6
121.02885	1.2
137.02353	3.5
149.02312	0.8
153.01822	4.7
158.38448	0.5
163.03912	0.7
165.01854	2.3
183.02866	0.9
183.04393	0.7
183.72231	0.5
201.05444	2.1
205.16302	0.6
219.06598	0.8
229.04942	5.2
235.47247	0.6
241.03271	0.6
257.04449	2.8
274.04846	0.9
275.38965	0.5
285.03882	1.6
303.04987	100.0
304.05292	6.0
434.18552	0.6
444.04285	0.6
444.84323	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1646
Annotation	NSC622370
Peak:m/z	Relative Intensity
53.03944	4.5
55.05489	3.2
63.68251	2.0
65.03931	3.5
67.05487	5.4
69.03414	3.5
69.07056	2.3
69.88765	9.5
78.04694	2.3
79.05481	5.2
81.07035	8.1
85.02840	2.9
91.05477	22.1
93.07047	10.2
95.04956	8.3
95.08598	7.6
98.23226	2.4
103.05456	8.1
105.03382	3.0
105.07016	8.8
106.04163	3.7
107.04948	6.5
107.08585	8.0
108.05733	2.4
109.06458	2.4
109.10153	2.1
119.04935	9.6
119.08588	10.7
121.02867	6.1
121.06509	14.8
121.10152	4.3
123.04444	3.5
131.08557	6.6
133.06473	3.3
133.10094	4.2
136.05217	10.2
137.05965	27.7
145.10147	6.1
147.04384	9.7
147.11737	3.6
149.05934	7.1
151.07558	22.5
153.05560	3.0
153.09227	2.2
154.06227	10.8
157.10115	6.5
159.11684	7.1
161.05931	3.2
163.07573	2.6
164.04716	3.1
165.05450	19.2
166.06253	4.3
167.07016	17.7
171.11684	2.8
173.13196	6.0
177.05461	6.4
179.07031	87.6
179.08623	5.0
180.07394	4.9
181.04944	29.5
181.08612	30.9
183.11740	3.2
187.14818	4.4
189.16354	2.7
195.06573	3.1
195.11687	2.7
197.08054	5.7
197.13269	3.3
199.14862	2.3
201.16377	4.8
208.07361	2.7
209.08087	28.1
210.08861	18.5
213.16350	3.9
225.07556	100.0
226.08075	8.9
253.10742	3.5
435.14645	2.5
435.19830	4.8
435.27802	3.5
435.32483	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	435.165
Annotation	Exfoliamycin
Peak:m/z	Relative Intensity
53.03946	5.8
55.01861	2.5
57.03431	2.4
57.11093	1.7
65.03931	7.6
69.03418	2.8
69.52472	11.2
72.52419	1.8
76.92831	2.0
79.05167	1.4
79.05505	15.7
81.07030	3.0
85.02919	2.6
85.78954	1.9
91.05469	17.8
93.07029	8.0
95.04967	7.9
103.05460	10.5
103.90940	2.2
105.07007	10.2
106.04145	3.2
107.04948	45.5
109.06508	3.7
110.03632	2.9
111.04443	4.2
115.05471	9.8
116.06227	2.3
117.07020	11.8
119.04939	5.9
121.02871	5.1
121.06483	15.4
123.04400	8.5
124.05194	8.0
125.06008	4.0
128.06232	6.7
129.06995	19.1
130.04120	2.1
131.04935	10.7
131.08569	8.3
133.02812	2.5
133.06450	9.2
133.09972	1.9
135.04439	3.8
135.08014	3.4
137.05965	14.0
142.02718	2.0
143.04813	2.4
144.05730	6.2
145.06488	25.2
146.03633	2.1
147.04382	6.8
147.08017	4.4
148.05008	2.0
149.05981	7.8
150.06624	2.0
151.03912	5.4
151.07536	14.4
152.04697	5.0
153.01788	3.2
153.05440	16.5
153.42679	2.0
155.04895	3.6
155.06070	5.1
155.08485	2.1
157.06473	21.0
159.04491	3.1
159.08044	4.6
160.05182	3.0
161.05984	32.9
161.09612	4.4
162.06532	2.0
163.07579	11.8
165.05634	3.2
165.06891	3.4
165.09126	6.7
166.06233	7.3
166.07628	1.9
167.07033	100.0
167.08424	3.8
168.07422	3.5
171.06534	2.0
172.05173	11.9
173.06015	14.1
174.06741	9.3
175.07545	12.3
177.09073	4.8
178.07770	3.0
179.07010	5.3
179.08516	4.1
180.07799	2.4
181.04955	59.3
181.06581	3.9
181.08569	61.9
182.05327	2.8
182.07274	3.9
182.08932	3.5
185.05916	3.1
187.07539	6.8
189.05460	9.0
189.09081	46.8
190.06236	5.9
191.07007	3.4
191.10657	2.3
193.06627	2.1
193.08533	2.4
194.07288	4.5
195.06467	3.1
195.08023	8.7
197.05907	2.0
197.09622	6.7
199.07608	3.0
200.04797	2.9
201.05403	10.7
202.06166	2.3
203.07021	3.6
205.08615	14.5
206.05702	4.6
207.06291	1.9
207.08202	3.5
207.10178	12.0
208.08786	2.6
210.06787	6.8
211.07520	4.7
213.05525	3.8
217.08604	4.6
218.05666	15.9
219.06441	5.4
219.08089	6.6
219.10085	3.6
221.06053	3.1
221.07983	18.1
221.09790	2.3
223.07425	10.8
223.11057	2.9
225.09023	8.7
227.07040	4.1
229.12068	1.9
231.06371	3.0
233.08044	83.1
234.08463	5.0
235.07512	3.6
235.09653	6.0
236.08292	2.5
237.09007	4.3
239.07042	3.5
240.07788	4.4
241.08559	6.1
242.09453	2.4
245.08054	5.3
247.07407	3.0
249.05286	2.0
251.06880	3.9
251.08858	9.7
253.08524	7.3
255.06551	4.3
255.10121	5.7
257.11816	8.6
259.09702	2.0
261.09067	3.1
263.06708	3.1
263.09335	14.0
264.07736	3.5
265.08539	3.4
267.10068	5.5
269.08060	6.3
270.05188	2.0
270.08801	4.2
277.08652	3.0
279.10144	6.9
281.07928	3.7
282.08829	3.3
283.09650	11.5
283.13190	5.4
284.10431	2.7
285.07910	2.6
285.11090	20.7
297.11166	6.3
299.09109	2.3
299.12656	4.4
302.11444	3.3
305.07642	1.9
307.09741	4.5
309.07803	2.1
311.12683	6.9
313.10504	2.2
315.09061	2.3
315.12067	12.9
316.12827	4.8
317.13806	15.7
323.09229	3.5
325.10626	2.2
327.12180	2.5
329.13794	3.7
331.08167	6.4
331.15533	3.2
335.09201	2.3
337.07007	2.9
339.12189	2.9
343.15271	10.8
346.10419	3.6
346.14172	5.6
355.11868	2.4
359.14807	7.4
360.15646	35.8
361.16367	28.6
367.11673	8.2
384.11823	3.0
387.14362	5.7
399.14319	6.5
417.15408	98.6
418.15451	9.9
435.20123	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	435.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.4
55.01867	4.3
55.05496	1.8
57.03428	1.6
59.04991	0.8
64.14723	0.7
65.03929	5.4
67.05486	2.8
69.03416	1.2
69.07065	0.7
69.35210	3.3
69.35612	1.8
73.96196	0.7
79.05489	4.1
81.03416	0.9
81.07050	1.2
82.04167	1.2
83.08595	1.1
85.02896	2.1
91.04928	0.9
91.05476	18.1
93.03386	2.9
93.07040	13.9
95.04970	5.6
95.08603	1.6
97.06490	1.9
98.23264	1.6
100.11247	2.4
103.05458	14.9
105.04496	2.0
105.07021	2.9
106.04165	1.8
107.04952	5.6
107.08619	1.0
108.02058	1.2
109.06483	2.6
109.10116	1.0
109.18535	0.8
110.03634	1.2
110.40626	0.8
111.04449	3.5
119.04935	3.0
119.08530	1.4
120.05711	2.5
121.02850	2.8
121.06496	25.9
121.10137	0.9
123.04430	5.3
123.08057	1.0
124.05204	1.3
125.06003	3.6
131.04918	3.8
131.05893	0.8
131.08604	0.8
133.06416	0.9
134.03609	0.9
135.04358	1.6
135.08055	0.9
135.83549	0.8
136.01129	0.8
136.05173	1.0
137.05960	8.7
138.06752	0.9
139.03903	9.0
139.07503	2.1
141.09079	1.0
141.26230	0.8
142.02554	1.1
143.08548	1.3
145.10120	1.5
147.04387	3.1
147.11679	1.1
148.05145	2.6
149.05974	15.9
151.03867	2.6
151.07542	2.4
152.04639	1.0
153.01805	1.3
153.05441	3.6
154.06235	36.2
155.07014	4.8
155.53836	0.7
157.10123	0.9
163.03888	3.3
163.07541	2.0
164.04633	1.7
165.05458	1.6
166.06265	9.4
167.07051	12.4
169.08710	0.8
171.06548	1.4
177.05452	17.2
178.05962	1.0
179.03391	1.2
179.05498	1.5
179.07016	21.0
181.04971	37.3
181.08574	100.0
182.05208	0.9
182.08940	4.1
182.15384	2.6
193.04959	1.0
193.08545	0.9
195.06508	2.5
197.08080	4.4
207.06459	1.8
209.08070	60.1
209.16455	1.3
210.08849	73.0
210.14813	2.8
211.09221	2.2
225.07492	1.6
227.09097	1.4
230.63863	0.8
253.10745	9.7
265.08606	0.8
435.10159	1.3
435.20071	2.2
435.33127	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1648
Annotation	CHEBI:67628
Peak:m/z	Relative Intensity
53.03947	4.1
54.91823	1.3
55.01872	1.6
65.03942	9.5
65.29671	1.3
67.05496	3.4
69.03433	3.0
69.63336	7.7
75.67479	1.3
79.05498	7.9
81.03414	5.4
81.07056	2.1
82.04198	2.5
85.02894	4.8
91.05428	3.3
93.03408	2.4
95.04948	5.0
97.06531	3.0
98.65453	1.6
103.05432	1.4
105.07021	2.4
107.04945	15.5
108.02084	2.4
110.03637	3.2
111.04405	1.3
115.05449	4.9
117.06985	3.8
121.02846	2.3
121.06540	3.5
123.04428	3.7
124.05209	4.2
127.03913	3.9
129.07001	2.6
131.04887	2.9
131.08527	3.1
133.06483	3.1
137.05940	3.2
138.03104	2.7
139.63210	1.5
141.06972	1.7
142.02603	3.6
144.05733	5.2
145.06462	8.6
147.04344	1.8
149.05943	3.2
152.04663	2.4
153.01807	3.0
153.05479	3.4
155.04922	1.6
155.06035	2.4
157.06488	2.7
159.04420	1.6
159.08037	4.6
161.05930	4.6
167.07031	50.7
168.07344	3.3
168.67950	1.5
171.06502	2.9
172.05176	12.2
173.05917	4.1
175.07533	2.7
177.08981	1.5
179.07091	1.8
181.04959	100.0
182.05270	3.7
187.07629	6.7
189.05464	3.4
191.03351	1.6
191.07011	3.3
191.10551	2.5
195.06549	2.1
200.04678	4.3
201.05463	6.8
203.07007	1.6
205.08594	3.5
206.05800	3.9
209.08064	1.6
217.08595	2.6
218.05756	7.8
219.06317	1.8
219.10178	5.7
221.07983	6.8
225.73897	1.5
233.08072	60.4
234.08472	2.7
235.07472	1.8
235.09644	2.1
245.08025	1.6
251.09109	2.6
263.06955	1.5
263.09198	11.2
279.10278	1.4
281.07675	1.6
293.08011	1.6
306.08838	1.7
307.09525	1.8
325.10440	1.9
335.09216	2.1
355.11737	2.8
367.11584	1.7
367.85947	1.4
372.11926	1.7
375.10434	1.4
384.12186	1.4
387.14462	6.4
399.14352	4.4
417.10382	1.8
417.15491	25.7
418.15845	2.8
435.19852	1.8
435.26822	3.0
435.77161	2.7
436.84747	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.8
55.01865	1.8
57.03429	2.4
59.02009	1.1
60.31553	0.9
61.02917	1.9
62.02567	0.9
62.02943	0.9
65.03918	2.0
67.05476	1.3
69.03414	1.8
69.25056	4.6
69.25480	3.4
73.02913	14.3
78.04685	1.3
79.05489	8.6
81.03397	1.3
81.07055	1.3
91.05473	15.5
93.07026	8.8
95.04964	5.1
98.23335	1.6
103.05462	8.7
104.83318	0.9
105.03404	1.4
105.07029	7.3
106.04099	1.5
107.04944	21.7
109.06512	2.1
110.03622	1.3
111.04425	2.5
115.03909	1.0
115.05447	3.6
116.06254	1.1
117.07016	4.4
119.04965	5.1
119.08591	1.6
119.15967	1.0
120.05710	2.2
121.02861	6.4
121.06506	15.8
123.04436	6.1
123.08064	1.1
124.05242	3.1
125.05975	2.4
127.03881	1.2
128.06192	4.5
129.06993	20.2
131.04916	6.6
131.08560	8.9
133.02863	1.9
133.06468	4.0
135.04411	2.8
135.08067	6.1
137.02325	3.7
137.05971	14.0
140.04645	1.3
141.07021	1.2
143.04950	2.3
145.06467	5.0
146.03658	1.6
146.07257	2.6
147.04379	3.8
147.08031	2.2
148.05194	3.1
149.02257	1.2
149.05971	8.1
150.06723	1.9
151.03877	2.8
151.07547	15.3
152.04691	3.0
152.06210	1.3
153.01822	8.1
153.05458	13.2
153.06750	1.6
154.07797	1.6
155.07054	1.3
157.06471	17.1
159.08015	2.3
160.05272	1.2
161.05962	22.9
161.09572	7.0
162.06674	2.0
163.03874	2.5
163.07526	14.7
165.01807	2.9
165.05597	2.2
165.06981	5.1
165.09100	7.2
166.06252	8.2
166.07561	1.5
167.07037	50.4
167.08408	2.6
173.06020	2.3
174.06750	10.9
175.07520	9.4
177.05473	2.4
177.06950	2.4
177.09138	6.2
178.07886	1.6
179.07002	2.8
179.08543	3.6
180.07755	1.5
180.09296	1.4
181.05078	2.5
181.06601	3.2
181.08586	79.0
182.07224	4.2
182.08997	3.0
183.08011	2.7
189.09093	65.4
190.09456	3.2
191.07013	2.2
191.08614	3.6
191.10663	1.7
193.06528	3.1
193.08568	2.3
194.07239	3.2
195.08041	7.4
195.09840	1.5
196.08690	2.0
197.06020	2.0
197.09637	6.7
198.06654	1.1
199.07573	3.3
201.05455	2.5
203.10753	1.4
205.06534	1.4
206.07158	1.2
207.08102	3.1
207.10162	12.9
208.08777	2.8
209.05977	3.4
209.09563	1.9
210.06712	3.3
211.07571	4.7
211.11310	1.1
212.08163	1.9
213.09126	2.0
219.08052	4.4
219.10020	1.7
221.06039	4.8
221.09657	1.6
222.06717	2.8
223.07561	8.7
223.11223	2.6
224.08276	4.7
225.05544	2.0
225.09100	14.0
227.07074	6.1
227.10669	1.9
229.04933	4.3
229.12260	2.5
235.07532	1.7
236.08301	3.3
237.09105	4.4
238.06213	1.7
239.07057	3.3
239.10709	2.7
240.07841	4.8
241.08571	6.5
242.09296	1.6
247.07605	2.6
249.09207	1.8
250.06277	1.7
251.07034	5.4
251.10606	5.7
252.07744	2.0
253.08618	11.6
254.09277	2.1
255.06735	4.9
255.10120	6.3
256.11041	1.3
257.04459	2.9
257.08057	2.1
257.11703	11.5
259.09647	1.8
265.08533	3.4
266.09665	1.2
267.06656	1.4
267.10178	4.5
268.07120	1.8
269.08060	8.4
269.11331	1.9
270.08878	4.6
271.13229	2.7
279.10083	5.3
281.08038	2.3
282.08743	1.6
283.09650	12.2
283.13275	7.6
284.10193	1.8
285.04288	1.6
285.07755	3.5
285.11130	23.7
286.08264	1.8
286.11612	2.4
287.09064	2.0
289.14185	1.1
295.09503	1.5
296.10403	1.5
297.11188	4.0
299.09058	3.3
299.12787	4.3
300.09949	1.8
301.10727	2.0
301.14246	1.4
302.11484	7.3
303.04968	100.0
304.05319	6.2
305.13742	1.5
311.12653	8.2
313.10709	1.6
314.11548	1.1
315.12244	17.2
316.12921	4.1
317.13806	21.9
318.14139	1.6
327.12082	2.5
328.13049	2.2
329.13742	6.4
331.15424	4.4
343.15384	13.9
344.15921	1.4
345.13434	1.4
346.14139	13.2
347.14307	1.2
358.14114	1.6
359.14917	8.5
360.15643	44.8
361.16394	33.9
362.16766	2.8
402.16632	1.2
435.19958	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.2
55.01869	3.5
57.03443	1.8
59.20610	1.0
65.03928	4.4
67.05488	3.1
69.03421	2.8
71.04993	1.6
71.32935	1.4
77.03939	1.5
77.80524	1.1
78.04684	1.8
79.05489	17.5
81.03418	3.0
81.07054	2.8
83.04976	1.6
85.02895	2.4
91.05473	24.5
93.03399	3.0
93.07032	9.5
94.04198	1.3
95.04948	8.7
97.06529	1.8
103.05460	12.6
105.07024	10.9
106.04144	3.1
107.04942	39.0
109.06528	3.2
110.03641	2.4
111.04430	4.4
115.05434	9.6
116.06224	1.4
117.07019	11.9
118.04171	1.4
119.04945	9.1
119.08577	3.2
120.02090	1.3
120.05746	2.6
121.02842	6.2
121.06503	21.6
122.03656	2.3
123.04427	11.0
123.08006	1.6
124.05247	6.0
125.06001	5.2
128.06203	10.8
129.06989	27.2
131.04929	10.6
131.08551	12.0
132.05676	1.3
133.02846	3.3
133.06479	9.2
135.04410	6.5
135.08058	7.7
137.05975	17.5
137.09575	1.0
138.03107	3.0
138.06822	1.8
139.03876	3.1
140.04674	1.4
141.07027	1.7
143.04903	3.4
143.08574	2.1
144.05675	2.7
145.06467	22.0
146.03706	1.4
146.07236	4.2
147.04384	7.4
147.08017	5.0
148.05162	2.5
149.05954	9.7
149.09521	1.4
150.06763	2.8
151.03929	6.0
151.07530	18.4
152.04669	5.6
152.06152	2.5
153.01819	4.2
153.05473	19.8
153.06731	1.8
155.04901	1.9
155.05998	3.7
155.07045	2.5
156.05629	1.9
157.06476	23.4
158.07219	2.0
159.04434	2.5
159.08037	5.1
160.05237	2.2
161.05963	38.4
161.09628	9.3
162.06700	3.0
163.03864	1.7
163.07524	21.2
165.05511	4.0
165.07007	7.9
165.09084	9.1
166.06239	10.0
166.07631	2.2
167.07034	100.0
167.08455	5.8
168.07375	3.3
169.06450	2.0
170.07123	1.5
171.06619	1.3
171.08054	2.8
172.05165	7.8
173.05986	10.0
174.06747	12.6
175.07541	13.5
176.08194	1.5
177.05450	3.8
177.06923	2.4
177.09067	8.9
178.06305	1.4
178.07784	2.6
179.07014	6.0
179.08577	4.3
179.10640	1.4
180.07747	2.2
180.09248	1.9
181.04994	43.4
181.06581	5.3
181.08574	96.4
182.05327	1.8
182.07251	6.6
182.08925	2.9
183.08026	3.0
185.05905	2.4
187.07524	5.1
189.05577	6.1
189.09082	81.1
190.06200	4.4
190.07800	2.2
190.09520	3.6
191.07040	3.3
191.08614	4.3
191.10680	3.7
193.06487	5.3
193.08612	2.6
193.10201	2.1
194.07253	2.6
195.06425	2.1
195.08054	15.0
195.09967	2.1
196.08727	2.5
197.06003	4.1
197.09628	9.6
199.07561	2.4
200.04805	2.1
201.05452	6.4
202.07854	1.7
203.03511	1.3
203.06924	1.4
203.08684	1.2
203.10774	1.6
205.06584	2.6
205.08589	8.2
206.05711	3.4
207.08073	5.3
207.10165	13.8
208.05186	1.5
208.08769	3.8
208.10582	1.4
209.05931	2.9
209.07994	2.7
209.09694	2.4
210.06718	5.6
211.07536	7.4
212.08234	2.7
213.05467	2.2
213.09143	2.9
217.08525	2.7
218.05585	8.9
219.06277	2.7
219.08385	6.3
219.10072	1.6
221.05942	6.9
221.08090	6.8
222.06705	3.7
223.07504	12.5
223.11180	4.1
224.08174	3.0
225.05560	2.8
225.09100	16.5
226.06195	3.5
226.09477	1.3
227.07037	10.3
227.10669	1.9
228.07600	1.2
229.12151	2.7
231.06491	1.5
233.08029	56.1
234.08548	2.8
235.07516	5.3
235.09665	3.8
236.08356	5.2
237.05412	2.5
237.09097	5.7
238.06216	3.4
238.09804	1.7
239.06944	6.7
239.10696	3.8
240.07823	6.5
241.08553	8.8
242.09242	2.0
243.06590	1.2
245.08133	2.9
247.07544	4.9
248.08296	2.3
249.08989	2.5
250.06207	1.6
251.06921	5.8
251.08727	1.6
251.10704	5.1
252.07733	3.9
253.04985	1.6
253.08566	14.0
254.09366	2.7
255.06503	4.3
255.10143	8.8
256.07025	1.6
256.10736	2.0
257.08002	2.5
257.11700	14.8
259.09811	2.4
263.06802	2.3
263.09198	8.0
264.07758	3.2
265.08554	3.7
267.06543	2.7
267.10114	5.0
268.07285	3.1
269.08090	10.1
269.11356	1.5
270.05188	1.3
270.08847	6.5
271.09637	1.6
271.13290	1.9
277.08514	2.3
279.10123	10.0
280.07251	2.2
280.10541	1.4
281.08124	3.5
282.08649	2.2
283.09631	16.4
283.13254	9.6
284.07083	1.7
284.10324	4.2
285.07822	2.9
285.11157	29.1
286.08353	2.1
286.11432	2.4
287.09265	2.6
289.14185	1.2
295.09695	4.1
296.10443	2.5
297.11240	6.7
298.11444	1.7
299.08997	4.2
299.12759	5.8
300.09885	2.6
302.11420	6.3
303.01129	1.5
303.11969	1.3
305.13712	1.5
307.09464	2.5
311.12735	11.4
313.10608	1.5
315.12259	17.2
316.12973	6.1
317.13831	25.5
318.14096	1.9
327.12170	2.7
328.13068	2.5
329.13745	5.9
331.08078	5.1
331.15186	5.3
335.09082	1.9
339.12384	1.6
343.15347	18.0
344.15714	1.9
345.13028	1.3
346.13980	14.0
347.14523	1.3
355.11530	2.0
359.14932	12.1
360.15619	60.8
361.16357	45.3
362.16733	3.7
367.11826	3.5
371.14935	1.7
387.14267	5.4
399.14240	3.5
403.17322	2.0
405.15332	1.9
417.15387	61.0
418.15784	6.5
435.15488	1.3
435.19986	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	435.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.8
55.01865	1.8
57.03429	2.4
59.02009	1.1
60.31553	0.9
61.02917	1.9
62.02567	0.9
62.02943	0.9
65.03918	2.0
67.05476	1.3
69.03414	1.8
69.25056	4.6
69.25480	3.4
73.02913	14.3
78.04685	1.3
79.05489	8.6
81.03397	1.3
81.07055	1.3
91.05473	15.5
93.07026	8.8
95.04964	5.1
98.23335	1.6
103.05462	8.7
104.83318	0.9
105.03404	1.4
105.07029	7.3
106.04099	1.5
107.04944	21.7
109.06512	2.1
110.03622	1.3
111.04425	2.5
115.03909	1.0
115.05447	3.6
116.06254	1.1
117.07016	4.4
119.04965	5.1
119.08591	1.6
119.15967	1.0
120.05710	2.2
121.02861	6.4
121.06506	15.8
123.04436	6.1
123.08064	1.1
124.05242	3.1
125.05975	2.4
127.03881	1.2
128.06192	4.5
129.06993	20.2
131.04916	6.6
131.08560	8.9
133.02863	1.9
133.06468	4.0
135.04411	2.8
135.08067	6.1
137.02325	3.7
137.05971	14.0
140.04645	1.3
141.07021	1.2
143.04950	2.3
145.06467	5.0
146.03658	1.6
146.07257	2.6
147.04379	3.8
147.08031	2.2
148.05194	3.1
149.02257	1.2
149.05971	8.1
150.06723	1.9
151.03877	2.8
151.07547	15.3
152.04691	3.0
152.06210	1.3
153.01822	8.1
153.05458	13.2
153.06750	1.6
154.07797	1.6
155.07054	1.3
157.06471	17.1
159.08015	2.3
160.05272	1.2
161.05962	22.9
161.09572	7.0
162.06674	2.0
163.03874	2.5
163.07526	14.7
165.01807	2.9
165.05597	2.2
165.06981	5.1
165.09100	7.2
166.06252	8.2
166.07561	1.5
167.07037	50.4
167.08408	2.6
173.06020	2.3
174.06750	10.9
175.07520	9.4
177.05473	2.4
177.06950	2.4
177.09138	6.2
178.07886	1.6
179.07002	2.8
179.08543	3.6
180.07755	1.5
180.09296	1.4
181.05078	2.5
181.06601	3.2
181.08586	79.0
182.07224	4.2
182.08997	3.0
183.08011	2.7
189.09093	65.4
190.09456	3.2
191.07013	2.2
191.08614	3.6
191.10663	1.7
193.06528	3.1
193.08568	2.3
194.07239	3.2
195.08041	7.4
195.09840	1.5
196.08690	2.0
197.06020	2.0
197.09637	6.7
198.06654	1.1
199.07573	3.3
201.05455	2.5
203.10753	1.4
205.06534	1.4
206.07158	1.2
207.08102	3.1
207.10162	12.9
208.08777	2.8
209.05977	3.4
209.09563	1.9
210.06712	3.3
211.07571	4.7
211.11310	1.1
212.08163	1.9
213.09126	2.0
219.08052	4.4
219.10020	1.7
221.06039	4.8
221.09657	1.6
222.06717	2.8
223.07561	8.7
223.11223	2.6
224.08276	4.7
225.05544	2.0
225.09100	14.0
227.07074	6.1
227.10669	1.9
229.04933	4.3
229.12260	2.5
235.07532	1.7
236.08301	3.3
237.09105	4.4
238.06213	1.7
239.07057	3.3
239.10709	2.7
240.07841	4.8
241.08571	6.5
242.09296	1.6
247.07605	2.6
249.09207	1.8
250.06277	1.7
251.07034	5.4
251.10606	5.7
252.07744	2.0
253.08618	11.6
254.09277	2.1
255.06735	4.9
255.10120	6.3
256.11041	1.3
257.04459	2.9
257.08057	2.1
257.11703	11.5
259.09647	1.8
265.08533	3.4
266.09665	1.2
267.06656	1.4
267.10178	4.5
268.07120	1.8
269.08060	8.4
269.11331	1.9
270.08878	4.6
271.13229	2.7
279.10083	5.3
281.08038	2.3
282.08743	1.6
283.09650	12.2
283.13275	7.6
284.10193	1.8
285.04288	1.6
285.07755	3.5
285.11130	23.7
286.08264	1.8
286.11612	2.4
287.09064	2.0
289.14185	1.1
295.09503	1.5
296.10403	1.5
297.11188	4.0
299.09058	3.3
299.12787	4.3
300.09949	1.8
301.10727	2.0
301.14246	1.4
302.11484	7.3
303.04968	100.0
304.05319	6.2
305.13742	1.5
311.12653	8.2
313.10709	1.6
314.11548	1.1
315.12244	17.2
316.12921	4.1
317.13806	21.9
318.14139	1.6
327.12082	2.5
328.13049	2.2
329.13742	6.4
331.15424	4.4
343.15384	13.9
344.15921	1.4
345.13434	1.4
346.14139	13.2
347.14307	1.2
358.14114	1.6
359.14917	8.5
360.15643	44.8
361.16394	33.9
362.16766	2.8
402.16632	1.2
435.19958	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.0
57.03433	2.3
65.03941	1.1
67.79690	1.0
69.03439	1.2
69.83839	5.5
70.20470	1.0
71.04980	3.1
73.00410	1.1
73.02911	5.1
79.05480	2.1
81.03371	1.2
85.02905	4.1
91.05464	10.8
93.07023	1.3
95.04955	1.6
97.02864	2.8
103.05428	2.9
105.07034	12.5
106.07353	6.8
107.04918	6.6
109.06495	1.2
115.03957	2.7
117.06998	2.0
119.04936	3.8
121.02863	2.2
121.06499	3.2
122.03629	1.4
123.04410	2.5
125.05984	2.2
127.03898	2.2
128.06195	1.8
129.06984	6.5
130.07735	1.0
131.04927	3.5
131.08565	2.9
133.06502	2.4
135.08029	2.2
137.05975	32.2
145.06517	2.0
146.07246	4.6
147.04381	2.4
148.05157	4.3
149.05972	3.9
149.09628	1.1
150.06702	1.5
151.03874	1.2
151.07532	20.1
157.06467	2.5
159.07990	1.5
161.05965	100.0
161.09593	22.6
162.06287	3.5
163.06390	1.2
163.07500	6.7
165.07095	1.3
167.07063	2.6
167.08499	1.5
174.06735	5.2
175.07545	8.6
177.09189	2.3
181.04953	3.9
189.09094	53.3
190.09433	2.7
191.07010	1.9
195.08072	3.0
201.01866	1.5
207.10144	74.8
208.10506	2.6
219.10104	3.5
221.09647	1.7
223.07527	1.5
224.08258	1.2
225.09094	2.3
227.10614	4.8
235.07623	1.2
239.06950	1.2
240.07863	1.5
249.09038	2.3
253.08537	2.1
253.12154	2.0
255.10098	3.3
257.00864	2.9
269.07947	1.7
272.10538	1.3
275.01874	1.5
281.08069	3.4
281.11502	1.7
285.00433	1.4
285.11176	4.5
287.12695	11.2
297.11194	2.0
299.12784	1.9
301.14258	1.4
303.01331	19.2
304.01706	1.9
313.14313	8.2
330.14642	3.0
331.15363	6.8
405.14191	2.3
405.19174	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25034	0.4
53.03949	0.8
55.01864	0.6
55.05521	2.4
56.87228	0.4
57.07068	1.4
59.05000	2.0
64.21658	0.5
65.03951	0.4
65.69715	0.4
67.05504	4.2
69.03425	1.5
69.07064	5.3
69.49147	1.9
69.49567	1.1
71.04990	4.1
79.05480	3.6
81.07059	7.2
83.04961	1.4
83.08601	1.6
87.04470	2.2
89.73658	0.4
91.05466	3.7
93.07040	6.1
95.04953	1.7
95.08601	9.1
97.06532	10.0
97.10199	0.6
105.07024	6.6
107.04939	1.0
107.08593	7.9
109.06500	1.3
109.10168	4.5
111.04434	1.4
111.08083	3.9
117.07005	1.3
119.08575	8.9
121.06483	1.7
121.10137	11.7
123.08055	1.9
123.11706	4.0
125.05984	0.9
125.09584	2.2
129.07001	0.9
131.08546	3.6
133.10135	5.9
135.08067	2.4
135.11696	4.9
137.05940	0.8
137.09616	4.0
137.13274	0.7
139.07547	3.2
139.11171	12.5
140.11609	0.5
141.06888	0.5
142.07762	0.5
143.08527	1.7
145.10104	7.6
147.11710	3.2
149.05956	0.6
149.09601	6.2
149.13257	2.9
150.10384	3.7
151.07512	0.6
151.11107	2.0
153.09091	1.4
153.12782	1.8
155.08540	1.0
155.10661	0.6
156.09344	0.8
157.08604	5.1
157.10120	2.2
158.10840	1.3
159.07994	0.5
159.11691	5.7
161.09637	1.0
161.13245	2.1
163.07498	1.2
163.11156	3.3
163.14836	1.3
165.09119	1.0
165.12689	1.1
167.10667	7.2
169.10077	1.1
171.11678	2.7
173.09621	1.0
173.13231	3.9
175.11255	0.7
175.14835	3.7
175.65755	0.5
177.09102	1.9
177.12752	0.9
177.16354	1.1
179.10640	0.9
181.08606	1.5
181.12239	1.6
183.11674	1.5
185.13280	1.6
187.14752	2.3
189.16415	2.2
191.10660	2.4
191.14316	3.2
195.10207	1.1
195.11752	0.5
195.13791	0.5
197.13240	1.0
199.11237	0.5
199.14818	1.9
201.12801	0.6
201.16406	6.9
202.16678	0.5
203.18025	1.1
205.15823	0.6
207.13745	0.7
209.13472	0.5
209.15375	9.1
211.14934	0.8
213.16391	1.7
215.14392	0.5
215.17972	1.1
217.12210	0.8
219.13791	2.0
223.14986	0.8
223.16983	1.9
225.16322	0.7
227.17790	0.6
233.15323	1.4
235.13266	1.9
237.14842	50.6
238.15172	2.5
241.19547	0.7
247.16832	1.0
249.14803	0.7
251.16417	18.5
252.16766	1.1
253.14447	0.5
253.19629	0.8
259.16943	0.5
261.14868	3.4
267.20837	0.6
275.20105	0.8
279.15900	100.0
280.16266	5.9
293.22397	0.6
329.17471	0.8
347.18527	7.2
356.16183	0.5
365.19696	2.7
365.23730	0.5
379.26205	0.7
389.31998	1.7
399.21518	1.5
417.22614	4.9
417.27164	0.6
435.23364	1.1
435.32730	11.8
435.90833	0.5
436.32767	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2377
Annotation	Phorbol 13-butanoate
Peak:m/z	Relative Intensity
53.03926	1.8
55.01866	3.1
55.05521	6.7
57.03430	3.0
57.07069	2.6
59.05001	3.5
67.05505	11.5
69.03423	4.5
69.07073	9.9
69.22538	9.4
71.04990	7.7
71.65202	1.1
79.05490	10.0
81.07056	17.5
82.77510	1.3
83.04994	3.1
83.08608	5.6
87.04492	2.3
88.31453	1.3
91.05460	7.7
93.07041	15.6
95.04952	5.3
95.08601	25.3
97.06535	9.1
97.10151	2.8
99.04462	3.8
99.08088	2.9
105.07021	19.3
107.04922	3.4
107.08582	19.0
109.06509	7.9
109.10147	11.5
111.04452	2.0
111.08070	3.5
113.06010	2.8
113.09644	16.9
117.07003	3.6
119.07748	2.0
119.08576	24.9
121.06506	4.5
121.10136	18.3
123.04444	2.5
123.08079	6.7
123.11680	7.3
125.06025	1.6
125.09582	2.5
127.07561	2.7
128.06186	1.8
129.06966	1.8
130.07782	1.9
131.08569	10.0
133.10121	22.2
135.08035	4.6
135.11682	10.0
137.05959	4.5
137.09604	19.7
137.13210	2.4
138.10022	1.3
139.07498	1.3
139.11154	5.7
141.09102	9.9
143.08591	6.1
145.10115	13.2
147.08017	2.3
147.11673	8.6
149.05983	1.6
149.09599	4.7
149.13210	6.3
151.07564	2.4
151.11180	13.9
153.09099	7.3
157.10179	7.8
158.10899	2.3
159.08087	1.8
159.10165	19.3
159.11682	8.9
161.09613	9.8
161.13225	7.6
163.07532	3.1
163.11171	2.3
163.14767	2.9
165.09102	5.2
167.10646	3.6
169.08577	3.8
169.10022	2.9
171.11719	3.9
173.13217	7.0
175.11253	1.7
175.14798	8.1
177.09084	5.5
177.12798	2.5
177.16353	2.5
179.10661	23.1
179.14267	2.7
181.08655	2.0
181.10094	1.8
182.10823	1.6
183.11670	2.9
185.13292	3.5
187.14806	5.2
189.09212	2.3
189.12695	3.1
189.16394	10.8
191.10666	3.3
191.14220	2.1
193.12230	2.1
195.11742	2.5
197.13258	2.4
199.09576	1.5
199.14838	6.4
201.12772	1.3
201.16382	15.2
203.14334	4.8
203.17906	2.5
205.12273	1.8
207.10089	1.9
207.13779	7.9
209.13287	2.0
209.15279	1.8
211.14742	2.5
213.16393	3.6
215.17860	4.8
217.12097	1.9
219.13783	8.0
221.15341	18.1
222.15828	1.7
227.17935	2.9
231.13773	1.9
235.13239	15.2
236.13615	1.8
237.14706	10.2
239.17969	1.8
247.16974	3.1
249.14839	100.0
250.15218	5.0
253.19586	2.6
257.73203	1.3
259.13177	2.9
263.12805	2.2
265.14447	1.8
265.19397	1.5
267.15952	4.9
267.21030	2.5
271.17050	1.4
275.12735	4.7
287.16357	1.6
299.20221	2.7
301.17941	1.5
305.14014	1.8
311.15900	1.3
319.23981	1.9
329.17386	5.9
333.26166	1.5
343.22873	2.3
347.18515	13.9
361.23718	1.5
365.19586	54.5
365.24173	3.3
366.19778	4.4
379.26169	2.0
389.32245	8.1
392.26895	1.9
399.21585	6.0
407.24454	1.4
417.22406	14.3
418.22858	2.1
435.23657	77.3
435.32501	52.0
436.24023	6.8
436.32712	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	435.2379
Annotation	Phorbol 13-butanoate
Peak:m/z	Relative Intensity
55.01857	1.0
55.05511	6.1
57.03428	2.1
57.07075	1.8
59.04990	2.6
67.05508	9.3
69.03422	3.7
69.07072	7.0
69.50732	1.6
69.51130	4.0
70.23779	0.8
71.04993	5.9
79.05494	6.2
81.07053	15.5
83.04983	2.5
83.08619	3.4
87.04466	2.8
91.05495	5.2
93.07043	13.2
95.04969	3.4
95.08607	16.7
97.06538	7.7
97.10147	0.9
99.04468	2.4
105.07039	13.3
107.04947	1.0
107.08598	12.5
109.06523	6.6
109.10154	8.9
111.04440	2.3
111.08077	3.8
113.06074	0.8
113.09644	17.7
117.07027	2.1
119.08574	16.4
121.06499	2.7
121.10152	10.5
123.04450	1.9
123.08053	5.9
123.11700	5.5
125.05990	1.2
127.07548	2.4
129.06964	2.0
131.08565	7.1
133.10130	16.2
135.08064	3.2
135.11710	6.9
137.05989	2.7
137.09613	17.8
137.13216	1.9
139.07544	1.2
139.11176	3.7
141.09094	6.3
143.08566	3.0
144.09381	1.7
145.10127	13.1
147.08031	2.7
147.11714	6.2
149.05960	1.4
149.09602	4.1
149.13225	2.3
150.10382	1.2
151.07536	3.3
151.11151	10.1
153.05521	1.5
153.09096	3.8
155.08577	1.1
157.10126	4.4
158.10899	1.7
159.08124	1.3
159.10165	21.2
159.11687	8.6
161.09612	12.2
161.13232	6.0
163.07587	2.0
163.11203	1.4
163.14922	1.5
165.09137	2.0
167.10648	1.4
169.08714	1.6
169.10063	1.4
171.11694	3.5
173.09523	1.7
173.13280	3.8
175.14775	4.6
177.09137	3.1
177.12712	1.0
177.16455	1.6
179.07045	1.1
179.10669	21.9
180.10977	0.9
181.08684	2.5
181.10120	1.0
183.10228	1.3
183.11752	1.6
185.13229	4.1
187.11118	1.2
187.14833	3.5
188.89767	0.9
189.09236	2.0
189.12738	3.0
189.16370	3.6
191.10661	2.1
191.14334	1.3
191.17889	1.5
193.12267	3.3
195.11771	1.2
197.13225	1.9
199.14789	2.4
201.16380	10.7
203.14346	4.3
203.17897	5.1
205.12308	1.4
207.10025	2.0
207.13782	6.1
209.13257	1.5
209.15234	1.9
211.14845	1.8
213.16376	3.4
215.14154	0.8
215.17938	2.4
217.12325	1.9
219.13780	3.9
221.11794	1.1
221.15379	18.5
222.15709	0.9
223.13208	1.0
227.18039	1.1
231.13803	2.0
235.13257	9.7
236.13594	1.0
237.14767	9.2
237.70915	0.9
239.17935	1.0
249.14856	100.0
250.15240	6.4
259.13269	1.7
259.16800	1.4
261.14746	0.9
263.12668	2.1
265.19458	1.2
267.15988	2.9
275.12885	4.1
281.22696	1.0
305.13794	1.1
329.17401	3.3
347.18546	8.5
351.23148	0.9
365.15283	1.6
365.19592	19.2
366.19986	1.7
389.32056	3.4
399.21698	5.5
407.24002	1.0
417.22742	12.1
417.33612	1.3
418.22910	1.0
435.23669	36.7
435.32550	18.1
436.23975	3.3
436.32571	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2377
Annotation	Phorbol 13-butanoate
Peak:m/z	Relative Intensity
53.03926	0.7
55.01867	1.0
55.05509	2.6
57.03438	0.7
57.07069	1.5
59.04990	1.8
60.53996	0.5
65.56118	0.4
67.05502	7.1
69.03429	3.6
69.07069	5.4
71.04993	4.9
71.08629	0.7
71.31114	0.5
79.05493	3.8
79.92442	0.5
81.03402	0.7
81.07056	7.2
83.04988	2.5
83.08613	2.5
85.69530	0.5
87.04446	1.7
89.06023	0.6
91.05470	3.0
93.07040	6.2
95.04952	3.1
95.08601	8.9
97.02888	0.4
97.06525	7.0
97.10183	0.6
99.04449	2.7
99.08086	1.1
105.07025	5.4
107.04942	1.2
107.08587	6.0
109.06514	4.0
109.10150	6.7
111.04438	2.1
111.08059	2.1
113.06004	0.9
113.09641	18.6
114.09965	0.6
117.06965	1.3
119.08591	5.4
121.06517	1.8
121.10144	6.0
123.04430	1.5
123.08069	4.9
123.11695	3.6
125.09588	1.0
127.07533	1.0
131.08531	2.6
133.06551	0.8
133.09187	0.8
133.10123	10.6
135.04318	0.6
135.08051	3.1
135.11694	3.1
137.05972	3.0
137.09607	15.2
137.13240	0.7
139.07530	1.4
139.11177	3.9
140.11539	0.6
141.09097	6.9
143.08563	1.8
145.10150	3.1
146.07266	0.8
147.08028	2.2
147.11697	2.4
149.05968	1.1
149.09593	2.6
149.13269	1.7
150.10339	1.4
151.07533	2.0
151.10057	0.9
151.11182	11.5
153.09099	4.1
156.09337	0.8
157.10124	2.5
158.67404	0.5
159.08150	1.0
159.10167	19.5
159.11630	1.7
161.08386	0.9
161.09618	11.4
161.13243	3.5
162.10170	0.7
163.07506	1.2
163.11179	1.4
163.14789	0.6
165.09087	2.2
165.12750	0.7
167.10684	1.9
169.08595	2.3
169.10046	1.1
170.10909	0.6
171.11684	1.7
173.09598	0.5
173.13257	1.2
175.11195	1.1
175.14781	1.7
177.09070	1.8
177.12749	0.9
179.07047	0.8
179.10660	20.9
180.11028	0.8
181.08583	1.8
183.10187	0.9
183.11694	0.5
185.08133	0.7
185.09714	0.5
185.13278	0.9
187.14871	0.6
189.09074	1.0
189.12683	2.5
189.16386	0.8
191.10609	0.6
191.14267	1.2
193.12247	2.1
193.15889	1.1
195.11708	0.5
197.13306	0.6
199.14857	0.7
201.12865	0.9
201.16295	0.9
201.53044	0.5
203.14331	5.0
205.12221	1.2
207.10187	1.8
207.13744	4.1
209.15332	2.0
213.12726	0.6
213.16447	0.8
217.12157	0.5
219.11963	0.5
219.13759	3.3
221.15334	21.4
222.15704	1.2
231.13751	0.6
235.13249	9.0
237.14827	6.3
241.95805	0.6
249.14848	100.0
250.15216	6.1
259.13312	1.6
261.14798	0.8
263.12671	1.7
263.15820	0.5
267.15860	2.9
274.25403	0.4
275.12762	4.2
276.12891	0.5
283.16895	0.8
301.17883	1.1
305.13879	0.5
329.17358	3.3
335.41931	0.5
347.18481	7.9
365.19577	15.9
366.20068	0.7
381.20621	0.8
389.31976	0.6
399.21603	3.9
407.24118	1.0
417.22684	12.2
418.22937	1.1
435.23679	23.5
435.30991	14.6
436.24081	2.1
436.30420	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2505
Annotation	LPA(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
52.03462	2.6
55.01856	3.2
55.05514	32.0
57.03435	13.1
57.07063	7.3
60.09093	2.3
65.03938	3.9
67.05500	70.5
69.07065	39.9
69.24665	20.7
71.04991	4.2
71.08639	2.2
79.05491	24.4
79.05910	3.7
81.07053	81.0
83.04957	3.3
83.08620	23.6
91.05467	15.5
93.07042	35.5
95.04944	3.9
95.08605	64.9
96.08907	3.0
97.06540	6.7
97.10175	9.6
98.98465	76.6
98.99083	5.3
105.07027	25.0
107.08590	24.6
109.06482	5.7
109.10153	30.3
111.08099	4.2
112.27264	2.3
117.07034	4.8
117.26497	2.7
119.08593	29.7
121.10146	27.6
123.08058	2.9
123.11687	12.7
131.08536	12.1
133.10130	24.7
135.08066	3.9
135.11668	15.5
137.09653	3.8
137.13266	6.0
143.08578	4.1
145.10110	19.3
147.11665	17.0
149.13271	9.3
155.01060	15.8
155.08513	2.8
157.10138	10.9
159.11700	15.7
161.13242	13.7
163.14796	11.4
169.10123	3.9
169.65195	2.9
171.11743	7.9
173.02116	8.4
173.13235	8.1
175.14845	10.5
177.16379	2.4
183.11757	6.4
185.13277	5.7
187.14867	6.7
189.16396	15.3
197.13289	4.2
199.14864	6.7
201.16385	16.4
211.14874	3.2
213.16411	7.5
215.17953	5.0
225.16386	3.8
241.19383	3.9
241.86282	2.5
245.22688	9.3
263.23761	20.1
265.19556	2.9
267.21176	2.9
281.18756	2.4
319.24503	3.4
337.27353	100.0
338.27728	11.5
347.27243	4.6
389.31943	9.4
417.27911	3.7
435.33218	43.6
436.32709	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3257
Annotation	Plagiospirolide E
Peak:m/z	Relative Intensity
52.70932	1.0
53.03941	1.6
53.04200	1.0
55.05503	10.8
56.90794	1.2
57.07068	4.0
57.11221	1.0
59.31241	1.0
67.05502	14.1
69.07061	11.9
69.30167	2.8
69.30572	5.8
77.03913	1.5
79.05481	10.7
81.07055	27.5
83.08641	6.0
91.05490	13.1
93.07041	23.0
95.04984	1.8
95.08601	35.0
97.10162	2.4
98.22646	1.9
105.07027	30.4
107.08592	27.6
109.06526	4.5
109.10150	16.8
111.08070	1.8
117.07012	6.9
119.08576	39.4
119.09434	2.5
121.10137	21.6
123.08049	2.5
123.11686	8.9
125.05989	1.5
127.07585	2.3
129.07014	5.0
129.32826	1.1
130.07822	1.3
131.08569	19.1
133.10118	22.9
133.63620	1.0
135.08006	1.3
135.11690	15.8
136.12088	1.4
137.13263	3.5
141.06984	1.6
142.07784	3.1
143.08549	9.4
144.09348	2.3
145.10120	29.7
145.50935	1.0
146.10577	1.4
147.11682	16.9
149.13258	11.1
151.14822	1.4
155.08563	2.5
156.09337	2.5
157.10129	10.1
159.11713	22.0
160.12138	1.3
161.13257	11.9
163.07600	1.4
163.14859	5.2
169.10150	4.7
171.11697	10.7
172.12418	1.2
173.13268	12.1
175.14819	13.7
177.16344	9.6
180.28394	1.0
181.10181	2.4
183.11681	6.0
185.13272	10.2
186.13791	1.7
187.14807	14.5
189.09000	1.2
189.16386	17.7
191.17946	2.8
193.10193	1.3
195.11743	3.4
197.13240	6.7
199.14815	12.2
201.13014	1.2
201.16374	35.5
202.16660	1.6
203.17953	14.7
204.18260	1.4
209.13284	4.2
211.14856	5.7
213.16374	7.8
215.17938	9.4
217.19501	1.5
219.13774	1.6
221.13310	2.4
223.14862	2.4
225.16386	4.3
227.17937	4.9
229.15988	2.0
229.19598	2.2
231.13667	1.4
233.15410	2.0
237.16371	2.9
239.17984	2.7
241.19588	4.4
243.13911	1.7
245.15440	1.7
247.16951	2.3
251.17955	1.8
253.19534	4.6
255.21045	1.3
257.15491	1.2
259.17026	3.8
263.18054	1.4
265.19537	2.7
267.21072	2.6
271.16797	2.1
273.18738	1.3
279.20978	2.1
285.18732	1.4
293.22678	3.1
299.19864	1.4
305.22629	1.5
311.20157	2.2
313.21429	2.1
325.21912	1.3
333.25708	2.1
347.27161	2.8
351.23019	1.8
365.24777	1.9
379.26233	3.1
389.32031	18.5
390.32492	2.2
393.27786	2.6
407.33221	2.2
435.32596	100.0
436.32993	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.326
Annotation	Plagiospirolide E
Peak:m/z	Relative Intensity
53.03958	1.7
54.25488	1.3
55.05513	14.2
57.07061	5.2
58.67377	1.7
65.03945	2.3
67.05505	18.6
69.07071	22.2
72.70494	1.4
73.00946	1.4
79.05495	15.3
81.07056	49.0
83.08627	10.8
91.05486	18.4
93.07043	30.9
95.05000	2.8
95.08609	59.2
97.06528	3.9
97.10165	2.8
105.07029	47.7
106.07362	1.6
107.08600	47.6
109.06508	7.4
109.10165	26.2
113.09669	3.4
114.65528	1.4
115.05431	1.7
117.06994	9.5
119.08581	62.2
120.08900	1.8
121.10149	33.3
123.08025	2.9
123.11712	18.8
125.05999	2.8
125.09637	1.7
127.07562	6.0
128.06200	1.6
129.07025	5.2
130.07802	3.0
131.08572	24.8
133.09178	3.2
133.10130	39.8
134.10381	1.9
135.08047	2.3
135.11703	27.0
137.09605	5.9
137.13297	5.7
141.07040	2.5
142.07831	3.9
143.08591	13.6
144.09377	3.1
145.08986	2.8
145.10136	47.1
147.11688	29.8
148.12048	1.5
149.13261	11.9
151.07593	2.2
151.11185	3.3
155.08586	6.5
156.09271	2.1
157.10149	15.1
158.10840	4.3
159.10223	4.5
159.11690	40.6
160.12218	1.6
161.09679	3.6
161.13255	21.6
163.07533	5.3
163.14827	3.6
169.08861	1.8
169.10081	7.2
170.10976	1.7
171.11685	14.4
172.12369	1.6
173.09731	1.9
173.13312	17.2
175.14827	19.7
177.09123	3.0
177.16409	11.7
179.10632	7.3
181.10088	2.0
182.10912	1.7
183.11703	9.2
184.12360	1.7
185.13280	17.6
186.13893	1.9
187.14845	21.8
189.12766	1.7
189.16377	24.6
190.82939	1.6
191.17953	4.1
195.11725	5.5
196.12234	2.1
197.13258	9.2
198.13979	1.7
199.14822	20.3
201.16389	50.7
202.16718	3.5
203.14488	1.5
203.17957	26.1
204.18460	1.7
205.12131	2.1
205.19653	1.6
207.11789	2.4
207.13814	2.1
209.13255	3.2
211.14857	7.3
213.16406	18.9
215.14456	3.6
215.17964	12.9
217.19545	1.9
219.13869	2.8
221.13387	2.8
221.15456	5.5
223.14767	3.6
225.16382	6.9
227.17996	4.9
229.19461	3.4
231.13908	3.2
231.17561	1.7
233.15424	3.4
237.16666	3.1
239.17896	4.5
241.19543	4.4
243.13826	1.9
245.15425	4.1
247.17091	1.9
249.14816	28.1
250.15141	3.4
251.17886	3.2
253.19594	4.9
255.20982	1.8
259.17041	6.8
265.19525	4.2
267.21109	3.8
271.16925	2.8
279.21011	2.6
281.22574	1.8
283.17017	2.3
285.18515	2.0
288.41577	1.5
293.22629	3.4
295.24277	4.0
297.18497	2.9
299.20029	4.2
305.22855	2.0
307.24390	1.7
311.20279	2.2
319.24390	4.0
325.21509	2.3
333.25742	4.1
347.18301	2.3
347.27048	2.7
351.22873	2.5
365.19696	4.3
365.24313	2.1
379.26309	2.4
389.32025	19.9
390.32324	2.6
391.33722	2.5
392.27017	2.8
399.21793	2.2
417.22684	3.6
417.31693	2.5
435.23929	9.8
435.32587	100.0
436.24127	1.6
436.32785	11.2
448.83255	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	435.3255
Annotation	Plagiospirolide E
Peak:m/z	Relative Intensity
53.03932	1.8
55.01873	1.6
55.05505	13.9
57.07074	3.0
65.03925	1.6
66.77173	1.1
66.93654	1.1
67.05503	21.2
68.80112	1.3
69.07068	20.5
69.35723	6.2
69.36136	1.9
71.04962	1.1
71.69800	1.1
77.99331	1.1
79.05486	16.2
81.07052	26.3
83.08616	17.6
85.06554	1.4
91.05473	17.1
93.07042	25.3
94.78703	1.1
95.04962	3.8
95.08597	40.4
97.06549	2.1
97.10175	3.7
103.05508	1.9
104.22429	1.3
105.07025	35.7
107.08583	37.8
108.08966	1.4
109.06510	2.8
109.10148	20.6
111.08079	5.4
117.07001	7.5
119.08574	51.4
121.06506	1.9
121.10144	21.4
121.12508	1.2
123.08083	2.5
123.11716	8.7
125.09631	2.0
129.07016	4.2
130.07782	1.5
131.08557	21.9
133.10127	34.5
135.08035	3.6
135.11719	12.7
137.09586	2.7
137.13283	2.0
139.07521	6.4
139.11183	1.8
142.07777	2.5
143.08531	12.1
144.09303	1.7
145.10117	41.3
147.11679	17.9
149.09686	3.4
149.13272	5.4
151.07576	2.5
153.09146	3.5
155.08568	3.0
156.09344	3.3
157.10133	18.6
158.10887	2.5
159.11685	37.1
161.09616	2.6
161.13277	13.5
163.07578	5.3
163.11140	1.4
163.14870	4.6
165.49553	1.2
167.07031	1.5
167.10739	1.6
169.10100	6.0
170.10919	3.9
171.11705	16.3
172.12453	2.2
173.09869	1.2
173.13260	20.0
175.09695	3.4
175.14809	26.4
177.09154	3.6
177.12805	1.2
177.16350	8.0
181.10089	3.2
183.11662	6.4
184.12514	1.4
185.13258	8.3
186.13890	1.6
187.14803	25.9
189.16412	16.7
191.17992	3.2
195.11708	2.2
197.13287	5.6
199.11192	1.7
199.14803	13.9
201.16364	43.9
202.16747	2.0
203.17865	7.3
205.15990	1.4
209.13367	3.5
211.14742	7.1
213.16385	20.0
215.14359	2.6
215.17906	10.8
219.13797	3.0
221.15320	1.6
223.14816	2.7
225.16449	2.3
227.17903	5.8
229.15901	2.1
229.19504	2.2
233.15335	3.4
235.14839	2.0
235.17064	1.6
237.16367	3.2
239.17973	1.6
241.19513	5.3
243.21120	2.9
247.16956	6.5
251.17867	1.7
253.19603	2.7
259.17084	1.9
261.18625	1.4
265.19461	3.0
267.21146	3.4
279.20776	1.4
281.22504	2.0
286.18918	1.3
293.22534	8.3
299.20056	2.7
301.21365	1.3
307.24365	2.0
315.23242	1.5
319.24139	2.2
320.41617	1.3
325.21759	1.6
327.23285	1.7
333.25909	2.2
347.27335	1.8
351.23181	2.1
353.24680	2.0
365.24716	2.6
367.26782	1.7
379.26471	3.0
389.32077	17.8
390.32330	3.0
393.27942	1.7
399.28815	4.0
407.32947	1.5
417.30356	9.6
418.30304	1.6
435.32574	100.0
436.32941	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	435.3258
Annotation	Plagiospirolide E
Peak:m/z	Relative Intensity
53.03946	1.9
55.05512	12.1
57.07058	4.6
61.28559	1.1
65.03927	2.9
66.71518	1.2
67.05213	1.4
67.05509	15.9
69.07067	17.0
70.53784	2.5
79.05504	13.3
81.07058	29.9
83.08618	10.4
91.05478	19.4
93.07043	30.8
93.07607	2.3
95.04957	1.6
95.08607	49.3
95.09223	2.6
96.08954	1.6
97.06550	1.7
97.10177	2.2
105.07028	49.8
106.07397	1.7
107.08596	46.0
109.06529	2.1
109.10155	17.7
111.04389	1.5
113.05971	1.6
115.05458	1.9
117.07008	8.2
117.07690	1.2
119.08584	74.5
120.08875	2.0
121.10151	31.5
123.11713	10.7
125.09628	1.5
128.06219	2.3
129.07022	6.1
129.20412	1.1
129.75166	1.2
130.07765	1.7
131.08569	22.5
133.10129	48.2
135.08046	2.1
135.11693	18.3
137.13251	4.3
139.11179	1.5
141.06982	2.1
142.07751	6.1
143.08582	15.1
144.09344	3.9
145.10123	58.3
146.10582	2.9
147.11694	24.1
147.12854	1.3
148.12053	1.9
149.13248	9.8
151.07545	2.0
153.09097	2.2
155.08557	4.7
156.09384	3.7
157.10133	24.3
158.10910	5.9
159.11693	48.1
160.12151	2.3
161.13263	15.9
162.13593	1.2
163.07538	4.4
163.14825	6.9
165.09103	2.3
167.08662	1.6
169.10071	7.6
170.10893	3.3
171.11676	22.8
172.12471	2.4
173.09593	1.3
173.13245	25.9
174.13582	1.5
175.14821	33.6
176.15233	2.5
177.09109	4.3
177.16409	9.1
179.10786	1.2
181.10165	3.5
182.10944	2.3
183.11668	8.5
184.12488	5.1
185.13243	12.1
186.13916	1.7
187.14827	26.6
188.15054	1.6
189.16396	23.3
190.16724	2.1
191.14339	1.5
191.17964	2.5
193.10153	1.2
195.11757	4.4
196.12476	1.2
197.13232	8.9
198.13972	2.1
199.09598	2.7
199.14819	23.0
200.15269	2.0
201.16385	50.7
202.16751	3.4
203.17981	9.6
207.11790	1.9
209.13268	4.8
211.14781	9.1
213.16377	25.7
215.14407	2.1
215.17966	13.6
217.19678	1.5
219.13840	4.0
221.13295	3.1
221.15382	1.5
223.14845	3.3
225.16417	4.2
227.17987	6.3
229.15903	1.7
229.19463	2.8
231.17390	1.3
233.15424	2.8
235.14975	2.4
237.16437	4.1
239.17935	3.8
241.19557	10.3
243.21101	2.7
245.15381	1.8
247.16913	3.7
251.18030	2.7
253.19484	5.7
255.21004	2.2
259.16998	2.3
263.17947	1.8
265.19495	5.3
267.21017	5.5
271.17188	1.8
273.18390	1.6
277.19431	1.6
279.20984	1.8
281.22540	1.7
285.18591	3.3
287.20370	1.8
293.22601	6.0
299.19830	1.5
305.22672	1.6
307.24176	1.5
311.20193	1.3
313.21628	1.6
319.24188	4.2
321.25882	2.0
325.21646	1.3
333.25851	3.2
337.21445	1.2
339.23056	2.2
340.24368	1.2
347.27518	4.1
351.23148	2.2
365.24664	1.8
379.26401	4.3
389.31992	19.7
390.32068	2.8
392.27090	1.9
393.27881	3.6
407.33365	1.4
417.31677	1.8
435.32590	100.0
436.32965	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	435.3468
Annotation	3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-26-al
Peak:m/z	Relative Intensity
53.03947	2.6
53.18119	1.0
55.01873	2.2
55.05515	10.7
57.03442	1.5
57.07072	2.5
62.66210	1.1
65.03932	1.5
67.05502	24.2
69.03434	3.2
69.07059	15.2
69.26448	9.4
71.04990	31.1
75.93131	1.1
79.05488	25.6
81.03418	2.8
81.07054	40.8
83.04984	2.3
83.08615	7.6
85.06541	9.7
87.04471	2.6
88.51673	1.2
91.05481	20.2
93.07043	42.4
94.07377	1.2
95.04985	5.9
95.08603	50.6
97.06532	20.1
97.10164	3.9
98.22619	2.4
99.08054	1.3
101.06014	3.6
103.05481	4.3
105.07030	35.7
106.07387	1.4
106.94559	1.1
107.04994	2.0
107.08589	48.9
109.06510	4.0
109.10154	27.0
111.08084	6.0
111.11693	2.2
117.07007	8.2
119.08580	45.3
120.08940	1.6
121.06493	3.6
121.10139	34.9
122.10474	2.3
123.08080	4.0
123.11709	15.8
125.09631	3.4
129.07005	2.5
130.07907	1.3
131.04974	2.0
131.08566	21.8
133.10127	37.2
134.10472	1.7
135.08046	2.6
135.11682	44.7
136.12070	2.5
137.05991	4.7
137.09630	4.2
137.13277	4.1
139.11188	4.8
143.08565	5.5
144.09375	1.4
145.10121	24.8
146.10458	1.5
147.08189	1.2
147.11684	31.5
148.12056	1.4
149.09607	3.1
149.13235	15.8
151.07567	5.2
151.11183	5.5
153.12770	2.3
155.08548	1.8
156.91844	1.2
157.10118	5.8
159.11673	21.9
161.09636	1.6
161.13243	22.9
163.07599	3.3
163.11195	4.4
163.14792	13.7
165.09099	1.3
165.12743	13.4
167.14304	1.2
169.10089	2.6
171.11700	5.0
173.13251	15.8
175.14830	10.6
177.12744	6.8
177.16402	4.0
179.14291	16.2
183.11694	2.8
185.13290	5.2
187.14778	10.9
189.09187	1.2
189.12782	1.6
189.16380	22.7
191.14307	22.4
191.17926	18.7
193.12199	1.5
193.15880	3.0
195.13792	9.7
197.13231	2.7
199.14790	6.3
201.16385	13.5
203.14404	1.3
203.17943	14.5
205.15923	4.4
207.17453	34.4
208.17657	1.4
209.15388	3.5
211.14830	1.9
213.16443	3.7
215.17929	14.4
217.19519	4.4
219.17456	3.2
221.19052	3.2
225.16425	1.8
227.17973	5.0
229.19481	11.6
230.19740	1.6
231.21065	1.9
233.19083	7.0
233.21449	1.0
237.16377	1.8
239.18065	1.9
241.19427	3.0
243.21185	3.3
243.57353	1.2
245.19104	3.1
247.20602	4.0
252.73882	1.1
259.20584	1.9
271.20474	1.9
285.21930	1.3
297.25766	1.4
311.12811	1.9
341.28433	1.2
343.22571	2.4
349.18906	1.3
363.30423	2.4
369.31482	9.9
381.31522	29.8
381.36487	1.6
382.31870	3.5
387.32669	9.1
399.32559	34.1
400.32813	4.6
405.33453	3.1
417.33615	100.0
418.33893	10.9
435.18143	4.6
435.28262	2.6
435.34637	21.1
436.35004	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.2
57.03436	3.1
69.03437	9.2
70.06576	3.7
71.04991	22.1
73.02908	2.7
81.03418	11.4
83.05005	2.5
85.02901	21.1
89.06031	100.0
90.06352	1.7
91.05473	1.7
97.02259	2.2
97.02892	43.7
99.04464	6.7
99.30955	1.5
103.03947	6.1
107.04973	5.4
108.04459	1.8
109.02873	18.9
111.04452	4.4
121.02859	2.3
123.04439	3.8
126.09201	2.0
127.03891	16.6
133.06503	3.5
135.06519	11.4
137.05959	7.3
139.03879	2.8
141.05443	2.5
145.04935	18.6
147.04430	3.1
151.03906	1.8
163.03841	2.3
165.05484	2.4
165.09169	2.0
173.08115	2.9
175.06027	2.8
177.05518	4.3
177.09120	2.6
181.08588	7.7
197.08150	1.8
203.07008	3.4
205.04887	1.6
207.06528	10.9
219.08615	11.2
221.11842	2.1
228.12598	6.3
230.03992	2.3
231.06554	8.5
243.08769	2.4
249.07559	10.9
257.12979	5.5
261.09732	6.3
267.08734	2.1
275.13895	4.7
275.19647	2.2
367.85129	1.9
377.15170	2.0
419.17896	3.6
436.16968	3.1
437.19189	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	436.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.9
57.03417	2.6
67.11861	1.3
69.03423	11.4
69.45197	1.3
70.06596	2.2
70.72144	3.8
71.04986	19.4
73.02916	2.0
81.03413	11.7
82.67921	1.7
85.02903	21.1
89.06028	100.0
90.06350	1.8
92.18923	1.4
97.02889	42.1
99.04467	5.4
103.03947	10.0
107.04926	3.2
108.04521	1.7
109.02196	2.1
109.02882	21.1
111.04436	2.1
115.03942	1.5
123.04453	2.9
127.03899	15.6
133.06551	2.6
135.06499	12.0
137.05986	4.2
141.05434	2.0
145.04976	17.0
147.04384	3.9
151.03816	2.1
161.05974	2.7
165.05481	3.8
173.08115	2.8
175.03967	2.1
175.06036	1.7
177.05417	4.6
177.07735	1.9
177.09164	2.0
181.08586	4.6
187.06319	1.8
188.94893	1.6
191.07039	1.7
203.07018	2.3
207.06544	10.9
215.09036	1.5
217.07138	1.5
219.08585	10.1
221.11771	1.8
228.12610	4.2
229.13350	2.1
231.06552	7.7
231.08548	1.6
249.07542	13.1
257.12875	4.4
261.09689	8.2
275.13870	5.0
377.14944	4.6
419.18280	2.5
436.17059	2.9
437.18924	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	436.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	2.9
57.03432	4.3
65.52637	2.2
70.25974	7.1
81.50738	2.2
85.02896	5.0
97.02806	2.8
103.05465	3.3
105.07027	27.4
107.04964	2.7
114.32407	2.2
133.06494	53.4
137.05977	100.0
163.07541	4.9
165.09120	31.7
175.07539	3.6
181.08684	8.3
183.10179	26.3
221.11710	4.5
239.12685	3.4
257.13840	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	436.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	4.3
57.07078	44.0
59.04660	2.8
65.76810	2.4
67.05502	21.4
69.03431	3.4
69.07071	3.3
71.05016	4.4
73.02935	2.9
76.27516	2.6
79.05485	5.3
81.03413	3.6
81.07056	7.7
83.04986	5.6
85.02904	10.6
85.06545	35.1
91.05485	6.6
93.07055	4.2
95.08640	3.8
97.02898	5.6
99.04454	11.4
100.06147	3.0
105.07047	5.6
107.04942	16.7
109.10158	66.9
111.04439	3.1
119.08619	3.0
121.02915	3.8
123.04441	3.9
127.03996	4.0
137.05978	5.3
137.09634	19.6
143.57568	2.9
147.11775	2.9
151.03946	4.5
155.10670	100.0
156.10934	3.7
167.07108	3.6
167.14340	4.5
181.04958	3.7
199.14845	3.2
209.06433	3.2
211.09683	5.2
229.22778	4.1
229.75725	2.9
257.17413	13.9
303.04944	7.4
304.05292	14.2
392.00800	3.3
395.60406	3.1
437.14124	6.8
437.30746	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	436.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15821	12.3
55.01851	19.0
55.05501	43.2
58.74706	15.0
67.05487	22.1
69.07062	33.1
69.33475	83.1
79.05495	20.5
81.07042	24.1
81.25196	13.1
83.08598	100.0
91.05479	14.4
93.07046	22.3
95.08611	42.9
97.10176	60.2
98.23326	24.3
100.51477	13.4
105.07059	33.6
107.08582	27.9
109.05717	12.0
109.10164	21.1
111.08051	31.3
113.14268	13.0
113.15190	11.7
119.08583	19.3
125.09620	55.2
133.06511	15.7
139.07439	12.2
145.10088	14.7
157.10149	26.7
161.09543	16.9
167.07042	21.6
175.09703	21.9
175.11122	16.3
189.11224	42.7
193.08521	16.5
194.95950	13.3
213.11227	43.8
220.72958	13.2
227.12785	47.2
231.12294	53.1
245.13884	62.4
255.06378	12.2
257.08011	17.1
324.90863	14.7
383.20416	16.8
401.21695	69.6
437.30243	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	436.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	60.2
65.46306	8.9
67.05496	18.4
69.03414	11.5
69.07075	35.7
70.26344	22.5
70.26694	16.9
77.62113	9.2
79.05495	25.8
80.69579	8.8
81.07063	15.6
83.08606	82.6
91.05478	15.7
93.07049	23.8
93.32529	8.1
95.08614	27.0
97.06510	12.1
97.10188	35.3
100.30001	9.2
104.47952	8.9
105.07007	22.1
107.08612	30.9
109.10139	14.7
111.08078	30.5
119.08549	16.6
121.10143	9.1
123.04420	11.2
125.09621	28.9
133.06497	12.1
133.10161	15.5
137.05946	11.6
145.10034	12.3
157.08571	10.8
167.07005	14.5
175.09654	21.6
189.11234	34.4
190.89868	8.8
213.11197	75.4
216.04086	8.2
227.12758	78.7
231.12376	25.4
245.13832	31.0
272.61154	9.3
383.20441	27.7
401.21619	100.0
436.32190	27.0
437.21368	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	436.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.3
55.01863	1.1
55.05511	1.5
55.61781	0.7
57.03428	2.2
57.07075	35.4
60.22343	0.7
61.02921	2.0
62.87215	0.6
64.78087	0.7
67.05166	1.1
67.05508	17.1
69.03414	3.8
69.07087	0.6
69.40465	1.5
69.40862	2.5
71.04989	2.5
75.80914	0.7
79.05475	1.0
81.03422	1.4
81.07060	5.0
83.04513	0.6
83.04977	3.6
85.02905	15.0
85.06545	30.4
91.05536	0.9
93.07021	0.7
95.08605	1.8
97.02893	4.3
99.04453	11.6
99.08100	1.1
105.06999	1.0
107.04968	4.5
107.08579	1.3
109.02910	1.3
109.10154	65.5
110.10466	1.2
125.05945	1.1
127.03941	1.5
137.09610	17.9
145.04939	2.1
155.10666	100.0
156.10976	3.4
172.30608	0.8
173.59320	0.8
183.10216	1.5
211.16731	0.8
227.12917	0.7
237.24117	0.7
239.12849	1.6
239.16443	3.6
256.48718	0.7
257.13724	0.7
257.14651	1.1
257.17471	12.6
258.17883	0.7
293.14508	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57606	10.4
69.18482	100.0
81.07053	41.0
85.02904	23.6
93.07036	25.8
95.08603	16.5
105.07045	43.1
107.08589	25.9
109.10150	28.9
119.08557	26.8
123.04414	12.5
123.08073	49.7
127.04005	15.7
134.55203	13.1
135.11707	20.4
147.11726	17.9
151.03923	21.3
167.07074	21.1
175.07841	13.5
175.09424	12.3
193.08618	17.0
203.14261	14.9
221.15384	22.4
226.59271	13.5
235.01103	10.6
313.89969	12.7
314.83673	12.5
437.21417	48.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.4
53.03933	0.8
55.01864	0.6
57.03419	0.5
61.02912	0.5
69.03406	0.3
69.04736	3.0
73.11998	0.2
79.05491	1.2
81.03420	0.3
85.02902	2.0
95.04961	1.5
97.02864	0.4
103.03935	1.0
104.03139	0.3
105.03322	0.3
105.04494	0.4
105.07004	0.3
107.04947	100.0
108.05287	3.0
109.02863	0.9
119.04925	0.4
121.02866	1.3
121.03648	0.3
121.06485	0.6
123.04460	1.5
127.03869	0.5
131.04919	0.9
133.06477	0.4
137.05981	0.7
139.03896	1.8
145.06480	0.4
147.04419	1.2
149.05977	1.9
151.03902	4.1
153.01849	0.4
161.05952	0.5
163.03886	2.3
165.05475	1.3
167.07050	2.5
169.04941	1.1
173.06030	0.8
175.03891	0.7
181.04955	4.7
187.03833	0.4
189.05424	0.6
193.04956	8.0
194.05295	0.4
205.04959	2.1
206.54240	0.3
207.06441	1.6
211.05988	4.8
217.04912	0.7
223.06177	0.3
229.04907	1.3
231.06548	0.5
235.05974	6.4
235.15096	0.3
241.04881	0.5
246.70781	0.3
247.05978	3.2
259.06012	2.4
259.63635	0.3
265.07111	0.5
275.09097	2.2
277.07043	1.2
287.09091	5.3
295.08167	0.8
299.09067	3.6
300.09412	0.5
307.77792	0.3
311.09091	0.3
317.10187	5.2
318.10645	0.4
335.09229	0.4
341.10175	7.0
342.10587	0.5
347.09018	0.4
353.10132	6.9
354.10516	0.7
365.10208	3.8
383.11288	1.7
401.12280	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1441
Annotation	1-(3-beta-D-Glucopyranosyl-2,4,6-trihydroxyphenyl)-3-(4-hydroxyphenyl)-1-propanone
Peak:m/z	Relative Intensity
53.03935	1.1
55.01860	1.1
61.23875	0.3
69.06137	1.8
69.06564	1.3
77.03910	0.5
79.05476	0.9
81.03393	0.6
84.75310	0.3
85.02914	1.9
91.05501	0.6
95.04965	1.1
103.03931	0.6
105.04510	0.5
105.07033	0.5
107.04946	100.0
108.05275	3.0
109.02896	0.5
119.04918	0.6
121.02869	0.9
121.06491	0.6
123.04417	1.7
127.03861	0.5
131.04909	1.0
133.06497	0.7
137.05901	0.7
139.03908	2.0
147.04407	1.0
149.05991	1.6
151.03899	4.7
152.04169	0.4
153.01860	0.7
155.02353	0.3
161.05966	0.6
163.03868	2.8
165.05443	0.4
167.06999	1.0
169.04929	1.0
171.04425	0.4
175.03893	0.9
179.07014	1.0
181.04944	4.5
187.03990	0.6
189.05508	0.9
193.04953	6.8
193.08568	0.7
197.08054	0.4
205.04945	2.0
207.06503	2.3
211.06038	5.0
211.09776	0.5
213.05511	0.3
217.04959	0.8
219.06493	0.4
229.04993	0.9
231.06448	0.5
235.05984	5.9
236.06248	0.4
241.04901	1.0
247.05946	3.2
259.06046	2.1
265.07062	0.4
275.09164	1.9
277.07080	1.3
281.08255	0.4
287.09152	4.6
288.09396	0.5
295.08109	0.6
299.09143	3.4
311.08978	0.4
317.10214	5.5
318.10522	0.5
341.10217	7.8
342.10583	0.8
353.10156	6.7
354.10513	0.8
365.10150	3.2
366.10321	0.5
371.11179	0.4
383.11456	1.6
401.12372	1.1
437.21390	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.4
53.03933	0.8
55.01864	0.6
57.03419	0.5
61.02912	0.5
69.03406	0.3
69.04736	3.0
73.11998	0.2
79.05491	1.2
81.03420	0.3
85.02902	2.0
95.04961	1.5
97.02864	0.4
103.03935	1.0
104.03139	0.3
105.03322	0.3
105.04494	0.4
105.07004	0.3
107.04947	100.0
108.05287	3.0
109.02863	0.9
119.04925	0.4
121.02866	1.3
121.03648	0.3
121.06485	0.6
123.04460	1.5
127.03869	0.5
131.04919	0.9
133.06477	0.4
137.05981	0.7
139.03896	1.8
145.06480	0.4
147.04419	1.2
149.05977	1.9
151.03902	4.1
153.01849	0.4
161.05952	0.5
163.03886	2.3
165.05475	1.3
167.07050	2.5
169.04941	1.1
173.06030	0.8
175.03891	0.7
181.04955	4.7
187.03833	0.4
189.05424	0.6
193.04956	8.0
194.05295	0.4
205.04959	2.1
206.54240	0.3
207.06441	1.6
211.05988	4.8
217.04912	0.7
223.06177	0.3
229.04907	1.3
231.06548	0.5
235.05974	6.4
235.15096	0.3
241.04881	0.5
246.70781	0.3
247.05978	3.2
259.06012	2.4
259.63635	0.3
265.07111	0.5
275.09097	2.2
277.07043	1.2
287.09091	5.3
295.08167	0.8
299.09067	3.6
300.09412	0.5
307.77792	0.3
311.09091	0.3
317.10187	5.2
318.10645	0.4
335.09229	0.4
341.10175	7.0
342.10587	0.5
347.09018	0.4
353.10132	6.9
354.10516	0.7
365.10208	3.8
383.11288	1.7
401.12280	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01830	0.7
55.05490	1.5
57.03421	0.5
67.05507	2.3
67.46992	0.4
69.03414	1.3
69.07059	2.3
71.32890	0.6
79.05484	2.2
81.03397	1.5
81.07056	4.8
83.01082	0.4
83.04974	0.5
83.08593	0.7
85.02900	1.0
85.14000	0.4
91.05455	1.8
93.07048	2.2
95.01067	0.8
95.04954	0.6
95.08601	4.2
97.10147	0.7
99.04434	0.5
103.05411	0.6
105.07019	3.1
107.04921	0.6
107.08589	4.1
109.02837	0.5
109.06516	0.7
109.10149	3.3
111.04410	0.9
111.08045	0.5
113.02103	1.3
114.31239	0.4
117.20428	0.4
119.08571	3.4
121.02819	0.4
121.06532	0.5
121.10138	2.4
123.04362	0.9
123.08101	0.7
123.11696	1.1
127.03809	0.5
128.06224	0.6
129.06927	0.6
131.08554	1.9
133.10094	2.0
135.08022	0.7
135.11659	1.4
137.05931	1.0
137.13261	0.6
139.11163	0.5
143.08539	0.7
145.10144	1.9
147.04379	0.7
147.08006	0.5
147.11673	1.6
149.05917	0.4
149.09621	0.7
149.13246	0.9
151.03891	0.6
155.08493	0.5
157.10077	1.4
159.11676	2.4
161.09489	0.5
161.13263	0.9
163.07462	0.8
163.11124	0.9
163.14734	0.8
165.09085	0.6
167.07060	1.2
169.04822	0.6
169.10124	0.7
171.11699	1.2
173.13196	1.0
175.14783	0.6
176.04521	1.9
183.11658	0.9
185.04201	2.1
185.13301	1.0
187.11313	0.5
187.14828	0.9
189.12602	0.6
193.08658	0.6
197.13274	0.5
199.14720	0.6
201.03683	1.0
201.05220	3.6
201.16362	0.8
201.21924	0.5
203.06767	1.6
203.14262	0.7
211.09619	0.5
211.14810	0.6
215.18025	0.6
216.07574	16.9
217.08221	3.0
243.08162	5.5
275.12573	0.4
366.12717	1.7
406.15955	1.5
407.16714	1.1
419.29202	0.7
437.17654	100.0
437.29965	2.4
438.17987	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	437.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.2
53.03943	11.2
55.01871	4.0
57.03417	1.5
65.03939	3.1
67.05502	6.5
69.44418	4.7
77.03891	1.6
79.05486	2.1
80.02628	1.5
81.03423	1.0
81.07037	1.0
82.27722	0.7
91.05470	9.0
93.03407	1.8
93.07034	4.9
95.04966	71.1
96.05283	1.6
97.06515	0.9
101.19730	0.7
103.05462	6.1
105.04502	5.8
105.07048	1.1
107.04943	1.8
108.02084	4.3
109.02874	0.7
109.06441	1.1
112.05268	0.7
117.70406	0.7
119.04926	2.3
121.03989	0.7
121.06501	12.6
122.03609	0.7
123.04427	75.1
124.04695	1.1
125.02361	1.9
125.05989	1.2
127.07586	3.4
128.89238	0.7
131.04929	1.5
137.05965	5.7
138.06792	0.9
139.03880	3.2
139.26266	0.8
140.04683	20.8
141.05217	0.7
147.04411	1.8
148.05174	2.1
149.06001	6.1
151.03886	2.9
151.07568	1.6
154.06252	11.4
155.07021	46.2
163.07564	1.1
166.06248	3.3
167.07034	20.1
168.07381	1.6
177.05466	8.4
179.07037	9.5
181.05043	8.1
181.08586	38.0
182.09013	1.7
183.06523	100.0
184.06868	2.5
193.08582	1.5
195.06645	0.8
209.08089	27.9
210.08862	18.4
211.09651	3.5
255.12291	4.3
437.21411	2.1
442.09650	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44685	0.5
53.03928	1.0
55.01841	2.0
57.03427	0.8
65.03909	2.0
66.04695	0.4
67.05475	1.3
67.08009	0.4
69.03411	0.5
71.01325	0.7
77.03888	0.5
79.05037	0.6
79.05487	9.3
79.82607	0.5
81.03398	0.9
81.07038	0.6
85.02872	0.9
89.61228	0.4
91.05482	9.0
93.03414	0.6
93.07024	1.1
94.04180	0.6
95.04974	2.3
97.06492	1.0
103.05473	7.0
104.06215	0.9
105.03365	1.6
105.04480	0.7
105.07032	24.8
106.07359	1.0
107.04967	5.4
108.05709	1.8
109.02853	0.6
109.06520	3.3
110.03621	0.9
111.04450	0.6
115.05421	1.9
117.06989	0.9
118.04160	9.5
119.04272	0.4
119.04947	4.6
120.05721	2.2
121.06522	3.3
122.03642	0.8
122.07262	2.7
123.04437	3.0
123.08026	1.9
124.05202	2.2
125.05959	0.8
125.15437	0.4
125.59506	0.5
131.04898	1.7
132.05640	1.5
133.02815	1.6
133.06490	27.3
134.07130	0.9
135.04445	3.6
135.08069	4.7
136.05147	0.6
137.05984	10.3
137.09518	0.5
141.06975	0.4
146.03658	2.2
147.04382	2.9
148.05240	2.2
149.05968	5.2
150.06761	14.6
151.03807	0.6
151.07564	6.6
153.05463	2.8
155.06987	1.4
161.05974	4.3
163.03966	0.4
163.07509	1.1
165.05508	4.3
165.09117	15.0
166.06129	0.4
166.09421	0.7
167.07040	18.4
168.07730	1.8
177.05450	1.7
178.06248	2.1
179.07043	4.2
180.07780	2.0
181.04956	14.2
181.08582	0.9
183.06544	0.8
193.04944	2.0
193.08597	63.6
194.08900	2.7
197.08199	0.5
205.08549	3.3
207.06509	1.3
208.07333	5.2
209.08009	0.6
211.09651	100.0
212.10045	4.6
225.07602	4.0
226.08319	2.5
333.99692	0.4
387.14484	0.6
401.43353	0.4
437.21530	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	437.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.8
55.01860	1.1
65.03932	1.4
66.04691	0.6
67.05495	0.7
69.34556	3.5
71.01333	0.6
78.04698	1.8
79.05492	5.4
81.07069	1.4
82.04178	0.6
83.00705	0.4
83.04912	0.5
85.02877	0.8
85.96869	0.5
91.05473	2.9
93.07029	0.6
93.77907	0.5
95.04955	1.8
98.22589	0.8
103.05476	2.2
105.03403	1.1
105.04524	0.7
105.07037	6.1
106.04179	2.2
107.04949	5.4
108.05769	0.6
109.06495	2.0
110.03638	0.7
111.04420	0.7
111.08104	0.6
118.04162	1.7
119.04934	1.9
121.06550	1.2
122.03619	0.5
123.04416	7.0
123.26023	0.4
124.04416	0.5
124.05197	3.7
133.02863	1.1
133.06483	6.6
135.04370	0.8
135.08028	1.1
137.05980	4.5
139.03783	0.5
139.07529	4.7
140.04648	0.8
147.04420	1.2
148.05194	0.6
149.05977	0.9
150.06767	2.6
151.03932	1.1
151.07506	2.0
152.04660	1.0
153.05420	1.1
155.07037	1.5
161.05934	1.6
165.05469	2.1
165.09106	3.7
166.06241	0.7
167.07030	100.0
168.07329	3.8
177.05524	1.0
178.02255	0.5
179.07031	1.3
180.07849	1.2
180.24675	0.5
181.04947	8.4
181.08539	1.5
183.06436	0.7
189.05466	0.9
193.04919	1.3
193.08600	14.7
194.08923	0.5
205.08592	0.9
207.06491	1.5
208.07323	2.9
209.07860	0.7
211.09645	27.0
212.10100	1.5
224.48930	0.5
225.07494	2.6
226.08258	1.7
237.11188	1.1
285.03839	0.6
307.35806	0.5
343.11813	0.7
437.21259	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2663
Annotation	LPA(18:1)
Peak:m/z	Relative Intensity
50.68537	2.2
51.55454	2.5
53.03936	3.7
55.05513	36.7
57.03446	5.9
57.07076	13.8
59.05004	3.4
65.03937	2.8
67.05503	45.0
69.03445	2.7
69.07064	52.9
71.08627	7.8
79.05495	29.6
81.06614	5.2
81.07055	69.7
83.04982	10.9
83.08624	29.0
91.05480	20.7
93.07040	53.1
95.04963	6.2
95.08598	100.0
97.06535	9.0
97.10162	15.2
98.22549	3.9
98.98462	63.9
98.99085	4.7
105.07024	43.5
107.08586	60.0
109.06512	3.7
109.10149	54.4
111.08065	6.1
111.11714	4.7
115.05450	3.5
117.07011	7.0
119.08568	64.0
121.06505	5.3
121.10136	48.2
123.08047	17.7
123.11699	26.2
125.09654	4.4
129.06998	5.4
131.08560	21.7
133.10118	40.1
135.08072	8.5
135.11676	33.2
137.09625	4.3
137.13255	7.5
139.07422	2.6
139.11145	2.9
141.09109	8.9
142.07765	4.2
143.08565	12.5
144.09308	3.8
145.10118	39.6
147.11693	33.2
149.09618	8.2
149.13229	16.2
151.14841	4.3
155.01025	23.6
155.08572	5.5
156.09317	4.2
157.10107	19.5
159.11684	27.6
161.09653	4.0
161.13216	23.6
163.11201	6.8
163.14792	11.8
169.10147	7.1
171.11699	16.2
173.02158	5.5
173.13231	21.8
175.11201	4.7
175.14830	26.7
177.12819	2.4
177.16370	8.9
181.10199	3.2
183.11717	11.5
184.12537	3.8
185.13252	12.2
187.11198	4.1
187.14850	18.9
189.16411	26.4
191.10748	2.8
191.18001	10.5
195.11665	5.9
197.13281	8.2
199.11288	3.1
199.14847	10.7
199.84029	2.6
201.12677	4.9
201.16368	37.9
203.14294	2.8
203.17979	22.4
205.15862	7.2
209.13312	3.6
211.14810	8.7
213.16414	11.9
215.14352	3.8
215.17934	11.0
217.15894	4.8
217.19556	2.6
219.17494	3.7
223.14845	4.9
225.16396	4.2
227.17908	5.3
229.19498	9.2
229.24039	3.9
231.17467	4.8
233.15367	2.6
239.14584	2.5
239.17929	8.0
241.15805	9.8
241.19467	2.9
243.21097	8.6
247.16977	5.7
251.17932	2.7
253.19566	4.6
255.17383	3.4
255.21107	5.5
265.25262	13.6
267.20981	3.9
285.18472	4.5
299.19977	3.9
309.22144	2.6
313.21664	4.4
335.27527	3.2
339.28934	68.7
340.29269	6.5
391.33810	12.4
419.33063	11.2
437.34561	81.7
438.33966	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	437.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.3
55.01866	2.8
55.05508	28.5
55.47937	1.7
57.03443	3.0
57.06010	1.7
57.07074	9.3
59.04999	3.3
62.34370	1.5
65.03938	3.4
66.99890	1.4
67.05504	60.2
69.03413	2.8
69.07066	39.6
69.29795	9.0
71.04980	6.0
77.03917	2.0
79.05492	33.5
81.03429	2.5
81.07054	90.8
82.07403	2.3
83.04950	4.0
83.08621	16.3
85.06544	5.2
90.14573	1.5
91.05479	28.8
93.07040	52.8
93.07599	3.1
95.04965	5.3
95.08602	100.0
96.08945	3.1
97.06544	6.2
97.10172	9.1
99.08113	1.6
105.07027	59.3
107.08590	65.5
108.08950	1.6
109.06538	2.5
109.10152	43.4
111.08079	3.5
111.11712	1.9
115.05454	1.7
117.07006	10.6
119.08581	81.1
120.08914	5.1
121.06512	3.2
121.09270	2.9
121.10146	53.2
122.10447	2.2
123.08088	2.8
123.11700	25.7
124.12052	2.5
125.05999	2.2
125.09621	4.5
129.07001	3.6
130.07767	2.0
131.08569	30.9
133.10129	50.7
134.10446	3.1
135.08131	2.2
135.11697	35.7
136.12044	2.0
137.09584	2.7
137.13261	14.1
137.72673	1.6
139.11209	2.1
141.07030	1.7
142.07774	2.4
143.08531	12.2
144.09306	2.9
145.10129	42.6
145.11230	3.3
146.10489	1.7
147.08025	3.1
147.10562	2.8
147.11690	39.6
149.09598	3.7
149.13242	20.9
151.07576	3.3
151.11177	3.0
151.14821	4.7
153.09097	5.4
155.08537	3.5
156.09338	2.3
157.10112	12.5
158.10799	4.1
159.08057	1.9
159.11678	41.7
160.12135	2.7
160.47626	1.6
161.09621	2.6
161.13274	24.3
163.07578	2.5
163.11226	2.4
163.14803	12.4
165.12755	2.3
167.10744	2.2
169.10164	5.6
170.10736	1.9
171.11710	12.0
173.13261	23.1
175.14809	28.1
177.09218	2.5
177.12735	2.0
177.16418	19.9
178.16803	1.9
179.10696	2.4
179.14291	2.0
183.11719	5.6
185.13275	10.2
187.11215	1.9
187.14833	20.7
189.16386	41.8
191.17964	12.8
193.15857	2.9
197.13281	5.3
199.11172	2.6
199.14857	7.8
201.12869	3.2
201.16385	45.7
202.16704	4.2
203.14343	1.8
203.17932	48.2
204.18326	3.1
205.15891	3.2
209.13350	2.1
211.14888	3.3
213.16399	13.6
215.14384	1.8
215.18037	16.7
217.12155	3.0
217.16014	2.5
217.19460	5.4
219.13811	2.0
221.15324	2.8
225.16331	4.6
227.17976	6.5
229.19508	5.5
235.16913	3.3
239.17879	3.4
241.19539	8.8
243.20990	9.4
247.16978	6.5
253.19490	5.5
255.21077	4.7
259.17017	3.8
261.18451	4.9
261.22134	9.9
267.21271	3.9
269.22577	3.1
275.20157	2.4
279.23218	24.7
281.22400	1.9
285.18558	2.0
295.24164	3.5
299.20010	5.8
313.21585	2.1
327.23041	2.3
373.28625	2.1
381.28003	2.2
385.30792	1.9
391.33838	16.4
394.28391	2.7
402.33578	4.6
419.29193	4.7
437.29208	11.1
437.34708	71.1
438.35001	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	437.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.9
54.19281	1.5
55.05510	17.2
57.03429	1.7
57.07070	7.8
64.85168	1.2
65.03945	2.4
67.05507	23.7
69.07063	27.6
69.33943	7.9
69.34365	2.7
71.08640	2.4
73.41482	1.5
79.05489	19.7
81.07053	47.7
82.07374	2.0
83.08624	12.2
85.06526	2.6
90.35950	1.4
90.83958	1.3
91.05474	20.5
93.07039	38.6
93.07604	2.7
94.30782	1.4
95.04985	2.6
95.08606	73.4
97.06527	2.8
97.10187	6.1
98.22565	2.7
105.07029	52.7
106.07376	1.6
107.08592	56.0
107.82819	1.4
108.08974	1.9
109.06533	1.9
109.10151	35.0
111.08101	1.8
111.11759	1.7
115.32522	1.2
117.07027	10.5
119.08581	71.5
119.67301	1.4
120.09118	2.0
121.10139	48.5
123.08097	2.4
123.11706	22.4
125.09592	1.8
129.07014	2.8
130.07832	1.7
131.08569	23.9
133.10124	53.6
134.10536	2.9
135.08099	3.6
135.11693	30.4
137.13226	8.3
139.11200	2.9
141.06937	1.7
143.08559	8.7
144.09402	3.6
145.10114	43.5
145.11189	2.3
146.10529	2.8
147.11685	42.9
148.12132	2.0
149.09662	1.7
149.13264	19.5
149.14330	2.3
151.07526	1.6
151.11174	1.8
151.14867	3.0
153.09154	3.5
155.08559	2.8
156.09357	1.6
157.10109	11.1
158.10916	2.8
159.08093	2.1
159.11687	40.6
159.12912	3.2
160.12398	3.5
161.13261	27.5
163.07600	2.2
163.14789	9.3
167.10765	1.5
169.10173	5.2
171.11699	8.4
173.13280	21.7
174.13799	2.2
175.11316	1.7
175.14819	32.6
175.16136	2.2
176.15256	1.9
177.09190	2.7
177.12811	2.5
177.16415	20.5
183.11766	4.6
185.13240	8.3
186.13939	2.1
187.14807	12.9
189.16383	55.3
190.16779	3.1
191.17934	11.1
197.13344	3.9
199.14725	7.8
201.16389	59.9
202.16864	3.1
203.17944	65.6
204.18379	2.8
205.19620	2.6
209.13356	3.1
211.14917	4.3
213.16373	10.8
215.17932	26.5
215.19688	2.1
217.15913	1.8
217.19496	6.7
221.15514	3.2
223.14781	2.0
225.16397	3.0
227.18011	3.4
229.15947	2.1
229.19516	8.2
231.17398	2.2
233.15450	2.0
233.19025	1.5
235.17059	5.7
239.18050	2.9
241.19479	9.4
243.21069	7.5
247.16966	9.3
249.18512	3.1
253.19635	4.3
255.21289	4.3
259.17047	4.1
261.18573	7.3
265.19315	1.9
267.21152	3.1
269.22678	3.5
273.18576	2.4
285.18402	2.1
287.20026	3.1
295.24329	3.7
299.20200	2.4
301.21686	2.5
307.24332	1.7
313.21713	2.1
315.23242	2.1
335.27298	2.0
349.28976	1.8
367.26187	1.8
381.27768	2.6
391.33612	21.2
392.34116	1.7
394.28738	2.5
419.33298	2.8
422.59882	1.4
437.34369	100.0
438.34619	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	437.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	2.1
55.05503	14.2
57.07077	7.5
67.05505	20.1
69.07064	30.1
70.54630	1.3
71.01456	3.4
71.08620	1.7
79.05484	17.9
81.07053	57.4
82.07398	2.6
83.08624	11.3
85.06581	1.9
91.05479	18.7
93.07046	41.4
94.07384	2.1
95.04984	3.9
95.08605	100.0
96.08968	2.1
97.10182	7.2
105.04581	1.9
105.07021	42.9
107.08590	60.4
107.97668	1.4
109.10148	35.4
109.10883	1.9
117.07040	6.3
119.08578	58.5
121.10141	42.0
121.10954	2.3
122.10475	1.8
123.11684	18.7
125.09642	1.6
128.06197	1.8
129.07057	5.3
131.08540	19.7
133.10126	38.6
135.11694	40.3
137.13249	27.8
143.08539	8.8
144.09303	2.0
145.10115	34.6
145.11218	2.6
147.08192	1.8
147.11688	34.3
148.12093	1.7
149.06047	1.5
149.13261	36.8
151.14857	2.9
153.09117	2.0
155.08606	1.8
157.10133	11.0
158.10977	2.1
159.11696	24.4
159.12914	2.0
160.12411	1.8
161.13246	22.9
162.13588	1.8
163.13692	1.5
163.14783	8.3
165.09154	2.0
169.10211	5.9
171.11665	12.0
172.12221	1.8
173.13261	15.8
175.14818	23.2
175.16161	1.9
176.15237	1.9
177.16377	29.4
178.16710	1.8
179.10707	1.6
183.11790	5.8
185.13223	11.3
187.14818	13.3
189.16382	38.5
189.17963	2.2
191.10681	1.6
191.17960	14.6
193.15930	1.9
197.13383	5.3
199.14828	11.9
201.16377	44.9
203.17952	61.8
203.19843	3.0
204.18294	3.6
205.12259	2.7
205.19627	4.8
211.14885	4.2
213.16379	18.5
214.16748	2.0
215.17955	17.8
217.19516	7.8
219.13869	2.1
221.15428	1.9
225.16467	4.0
227.17998	4.9
229.19675	6.6
233.15337	1.8
235.17108	1.6
239.18008	6.0
241.19487	16.3
241.21413	1.6
243.13791	1.6
243.21173	4.0
245.15442	3.1
247.17052	4.9
249.18581	1.9
253.19623	6.4
255.21169	6.1
259.16977	11.7
261.18573	2.8
267.21182	5.8
269.22757	3.4
271.16983	2.4
273.18649	1.9
281.22833	1.8
285.18317	3.2
287.20178	4.5
295.24274	4.1
299.20157	4.4
301.21872	1.6
313.21762	4.7
321.25766	1.6
349.29114	1.9
391.33560	22.1
392.33884	2.2
395.29614	2.0
410.60995	1.6
437.34299	84.1
438.29529	1.7
438.34644	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	437.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	9.9
57.07075	4.3
57.80534	1.6
58.64055	1.5
63.57954	1.3
67.05499	13.7
69.07069	16.1
70.54060	3.9
79.05474	10.2
81.07047	36.2
83.08607	10.0
91.05463	10.6
93.07046	27.1
93.07602	2.7
95.08603	57.0
97.10178	4.2
105.07024	34.2
107.08587	37.7
107.09315	1.7
109.10156	22.5
117.07043	5.7
118.76998	1.6
119.08572	49.7
121.10136	23.6
122.10450	2.0
123.11688	12.4
129.07036	3.5
131.08546	14.9
133.10114	40.8
133.45023	1.8
135.11685	18.0
137.13275	6.1
143.08566	4.8
145.10117	25.9
146.10815	2.3
147.11676	30.1
149.13245	12.9
151.14825	5.2
157.10144	6.4
159.11667	22.5
159.12883	1.9
161.13261	18.0
163.07596	3.4
163.14796	13.8
169.10147	3.3
171.11690	7.1
173.13261	14.2
175.14822	22.8
177.09193	4.1
177.16406	6.9
183.11737	2.4
185.13303	5.5
187.14822	8.8
189.16385	37.4
190.16858	2.4
191.17935	14.0
197.13321	4.0
199.14807	6.0
201.16383	47.7
202.16841	2.2
203.17931	57.3
204.18327	2.4
205.19606	1.9
211.14813	3.8
213.16330	9.7
215.17923	12.8
217.19560	7.5
221.15404	1.8
225.16304	3.4
227.18073	3.3
229.15916	2.7
229.19493	7.7
233.15393	2.1
235.17012	3.4
239.17972	4.7
241.19470	8.9
243.21088	17.4
247.16919	18.1
253.19478	2.0
255.21140	9.9
267.21127	5.2
273.18341	2.0
285.18591	5.0
287.20099	3.2
293.22470	2.3
295.24094	3.6
299.20117	4.2
301.21634	3.1
307.24136	2.2
313.21466	3.6
321.25842	2.3
335.27469	2.2
349.29108	1.8
391.33481	23.1
394.28589	2.0
419.33218	1.7
430.21509	1.8
437.34137	100.0
438.34409	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	437.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06668	3.6
55.05501	14.9
57.07068	14.8
58.56235	3.7
61.54262	3.4
67.05515	21.5
69.07068	21.7
71.08601	5.9
71.30547	4.7
71.31000	4.6
74.36598	3.9
79.05479	11.7
81.07052	47.1
83.08607	12.4
89.06023	13.6
91.05464	14.0
93.07053	22.1
95.08609	58.9
97.10149	7.5
105.07026	31.8
107.08594	40.7
109.10151	31.7
117.07056	5.8
119.08573	39.1
121.10155	26.6
121.10875	4.3
123.11687	16.0
131.08551	15.5
133.08609	10.6
133.10152	24.6
135.11664	14.4
137.09520	4.1
137.13191	4.7
143.08525	7.0
145.10121	27.5
147.11700	18.8
149.13255	8.0
151.14880	5.3
157.10168	9.0
159.11700	13.8
161.13228	19.4
163.14795	11.3
169.10146	5.4
171.11705	10.4
173.09598	4.9
173.13261	15.8
175.14841	21.4
177.16328	5.4
185.13184	5.9
187.14833	13.7
189.16397	22.5
191.17902	7.0
197.13171	4.6
199.14749	9.4
201.16367	23.0
203.17961	27.3
209.15305	3.9
213.16304	5.0
215.17879	6.6
217.19617	4.9
219.13724	5.6
229.19525	5.4
239.14903	17.6
243.21014	8.6
247.16939	8.5
295.24225	5.1
325.25378	7.4
391.33566	13.9
419.29218	12.9
419.34030	6.5
437.34741	100.0
438.34787	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	437.3411
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25473	1.4
53.03934	2.5
55.05507	16.5
57.07071	5.4
65.03933	2.8
67.05501	23.1
69.07063	19.7
70.31905	1.8
71.08626	1.9
79.05499	14.0
81.07052	38.7
83.08601	9.5
91.05472	19.2
93.07040	36.5
93.07605	3.1
95.08600	68.3
96.08965	1.8
97.10197	3.1
105.07019	49.3
107.08589	53.2
108.08931	1.9
109.10149	34.9
111.08089	2.6
117.07011	6.0
119.08570	79.5
120.08910	3.0
121.10136	36.2
123.08033	3.0
123.11685	16.5
129.07022	4.0
131.08566	25.0
133.10126	51.5
135.08084	2.3
135.11676	20.9
136.54170	1.8
137.13293	5.9
142.07791	2.8
143.08571	7.7
144.09299	1.9
145.10112	37.6
147.08031	2.1
147.11674	35.1
147.12843	2.1
148.12184	1.6
149.09651	2.3
149.13245	15.4
153.09137	4.0
157.10127	11.8
158.10913	2.6
159.11685	33.3
160.12335	2.8
161.09685	2.8
161.13242	27.3
163.07600	2.4
163.11171	4.3
163.14810	14.1
165.20470	1.6
169.10123	3.4
171.11700	9.5
172.12411	2.1
173.13255	17.8
175.11198	2.7
175.14832	24.3
177.09113	5.6
177.16360	11.3
183.11703	4.1
185.13284	6.4
187.14774	15.1
189.12727	2.1
189.16373	43.1
189.17984	2.8
190.16727	2.5
191.14359	2.8
191.17958	12.7
195.11736	2.0
197.13254	5.9
199.14801	7.9
201.16376	44.2
202.16840	2.0
203.17937	71.2
204.18236	3.9
205.15923	4.3
207.17570	2.0
211.14848	3.9
213.16403	6.8
215.17986	14.6
216.18283	1.9
217.19595	5.4
221.15410	2.6
225.16548	2.5
227.18082	3.0
229.15851	5.5
229.19534	7.1
231.17369	1.8
233.15326	2.9
235.17107	3.2
239.17960	5.2
241.19485	6.7
243.21033	12.8
247.16974	15.7
249.18359	1.9
253.19501	2.5
255.21167	6.3
257.22235	1.7
261.18518	3.5
267.21283	4.2
269.22678	4.0
273.18542	3.0
281.22528	2.6
285.18533	4.5
295.24188	5.7
299.20093	3.1
301.21695	4.8
313.21826	2.5
327.23090	2.1
391.33661	19.2
392.33652	3.7
419.33243	3.7
437.34171	100.0
438.34637	15.2
453.88525	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	2.2
55.05511	13.2
57.07069	9.8
65.03946	3.0
65.37766	1.6
67.05504	23.1
69.07068	19.9
69.25652	11.8
71.08634	1.8
76.04425	1.6
79.05501	15.2
81.04105	1.4
81.07056	40.8
82.19850	1.6
83.04983	3.3
83.08613	10.6
85.10184	2.0
87.07169	1.5
89.06042	3.7
91.05477	20.4
93.07040	31.7
93.07583	2.5
95.04966	2.5
95.08602	71.8
97.06540	3.6
97.10166	5.5
98.22618	3.0
105.07024	45.5
105.07706	2.5
107.08591	46.7
108.08935	1.7
109.06554	2.8
109.10148	30.1
111.08133	2.1
111.11794	2.1
117.07042	6.6
119.08575	63.5
119.09383	3.2
120.08924	1.9
121.10143	32.8
123.08030	2.4
123.11716	17.1
125.05893	1.6
125.09615	2.2
125.13322	1.7
129.07004	3.7
130.07843	2.6
131.08543	19.3
133.08629	3.1
133.10132	47.0
135.08058	3.8
135.11682	26.1
135.12621	2.4
137.13223	9.7
141.07001	1.8
143.08556	9.1
145.10118	36.8
146.10478	1.8
147.11688	37.7
149.13243	12.6
151.14865	2.6
153.09143	3.0
155.08580	2.1
157.10190	9.1
158.10918	2.1
159.08160	1.8
159.11682	30.1
160.12199	2.4
161.13232	26.6
161.14481	1.8
162.13551	1.5
163.11179	2.7
163.14804	13.7
169.10181	5.4
171.11673	10.0
173.13272	17.2
175.14822	27.1
177.16405	18.2
179.10779	1.8
182.10976	2.2
183.11777	3.8
185.13333	6.9
187.14828	11.9
189.16377	42.2
191.14374	2.1
191.17941	14.3
194.14911	1.8
197.13303	3.8
199.11200	2.7
199.14803	10.6
201.12779	2.2
201.16376	51.2
202.16846	4.3
203.17926	64.5
204.18355	5.1
204.24670	1.7
205.15907	4.1
205.19478	3.4
211.14816	3.4
213.16351	16.2
215.14388	1.9
215.17924	21.3
217.15855	2.4
217.19676	6.8
219.13896	2.1
221.13358	1.7
225.16490	6.7
227.18092	4.9
229.19443	9.6
235.17140	1.7
239.15221	2.0
239.18001	3.4
241.19467	9.0
243.21043	17.8
247.16864	10.3
253.19659	4.4
255.20970	10.3
259.17081	4.9
261.18671	4.6
267.21167	4.2
273.18604	2.1
281.22662	2.4
285.18509	3.9
287.20099	3.6
295.24390	3.3
299.20047	4.2
301.21716	2.7
307.23990	2.1
313.21649	3.1
321.25696	1.8
339.23260	2.8
339.28976	2.9
367.26285	2.1
391.33597	17.0
392.34073	2.1
395.29407	1.7
419.33713	1.9
437.34302	100.0
438.34509	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	437.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63138	2.2
54.04315	2.4
55.05505	19.0
57.07069	7.7
67.05506	20.1
69.07074	26.0
69.21957	22.8
71.08623	4.4
79.05483	14.9
81.06606	4.8
81.07053	49.2
81.07493	4.9
83.08619	10.6
91.05463	23.4
93.07047	37.9
95.04938	2.6
95.08606	100.0
96.63387	2.6
97.10208	4.9
105.07027	52.3
107.08586	61.4
108.08891	2.8
109.10159	37.6
111.08075	3.1
117.07025	6.3
119.08577	65.7
121.10141	60.9
123.08132	3.2
123.11674	23.2
129.06955	5.6
131.08585	26.5
133.10124	48.5
135.11699	41.0
137.13246	18.3
143.08546	9.6
145.10123	35.8
147.11678	42.6
148.12077	3.3
149.09601	2.8
149.13284	25.9
151.14818	4.0
155.08571	3.6
157.10130	11.5
159.11705	32.4
160.19087	2.6
161.13275	26.0
163.14816	8.8
165.12784	3.3
169.10136	4.2
171.11670	17.5
173.13264	22.0
175.14853	32.2
177.16397	21.1
183.11647	4.6
185.13281	8.0
187.14851	15.7
189.16365	52.2
191.17992	12.1
197.13235	5.7
199.14853	12.8
201.12657	3.5
201.16379	50.5
202.16708	3.9
203.17935	64.1
204.18242	5.1
211.14799	8.3
213.16362	16.8
215.17917	26.6
217.19490	5.0
225.16432	2.7
227.17934	6.5
229.16063	3.0
229.19453	5.7
231.17474	3.5
239.17943	4.9
241.19537	13.2
243.21049	10.0
247.16980	6.0
253.19537	5.7
255.21161	6.7
259.16949	8.4
267.21060	6.1
269.22766	3.0
285.18362	5.9
287.20013	3.5
299.20059	4.1
391.33710	16.1
392.33960	4.5
419.32944	5.0
437.34427	84.0
438.34561	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	437.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.6
55.05511	18.7
57.07071	11.5
65.03917	2.0
67.05160	2.4
67.05505	30.0
69.07072	27.5
69.22186	8.5
69.22610	3.9
79.05489	20.3
81.07059	69.3
83.08617	10.0
85.06500	1.7
91.05482	22.4
93.07049	46.8
94.07368	1.7
95.04980	2.6
95.08607	100.0
96.08933	2.4
97.10190	3.8
98.22620	3.3
104.18580	1.4
105.07033	51.7
107.08596	64.8
108.08879	2.1
109.10157	33.9
115.05405	1.8
117.07037	8.4
119.08582	58.8
121.10141	47.3
123.11700	17.6
125.09608	1.3
126.33277	1.4
129.07030	6.5
131.08569	19.9
133.10136	39.0
134.10463	1.8
135.11694	45.3
135.72572	1.4
137.13245	27.7
143.08591	11.3
144.09270	2.4
145.10130	32.4
146.10847	2.1
147.11694	37.0
149.13257	32.6
150.13596	1.5
151.14845	5.3
153.09119	3.0
155.08601	1.9
156.09259	2.4
157.10129	14.4
158.10956	3.5
159.11716	25.7
160.12300	1.8
161.13264	21.7
163.07596	1.6
163.14818	7.4
169.10138	6.8
171.11708	16.4
173.13278	16.2
174.13924	2.1
175.14818	19.7
176.15125	1.7
177.16389	24.7
179.10710	1.6
182.14531	1.8
183.11681	3.7
185.13214	10.9
187.14818	12.2
189.16383	30.6
189.18002	2.1
191.10675	1.8
191.17929	12.7
197.13214	4.4
199.14804	14.4
201.16383	34.9
203.17952	50.6
204.18304	3.9
205.19612	2.4
206.17325	1.4
209.13339	2.5
211.14835	4.2
213.16432	14.3
215.17941	17.4
217.12119	2.3
217.19556	6.6
225.16426	3.0
227.17960	4.5
229.19566	5.6
239.17976	6.3
241.19505	16.6
243.21022	3.9
247.16936	3.0
253.19594	4.0
255.20946	6.9
259.16962	10.0
261.18527	2.6
267.21161	4.3
269.22653	3.1
273.18304	2.0
285.18539	2.4
287.20181	4.4
299.20071	3.6
313.21674	2.2
314.15897	1.4
315.23181	2.5
353.24673	2.2
391.33545	15.5
392.34467	1.9
401.32288	2.2
437.28293	3.4
437.34189	59.9
438.34579	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	437.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	16.1
57.07076	6.5
67.05502	17.6
67.92667	2.0
69.07070	25.2
69.32910	7.2
69.33335	8.4
70.13898	1.9
71.08627	2.6
71.20988	1.8
79.05489	12.7
81.07054	56.6
83.08615	15.0
91.05476	18.5
91.06703	2.1
93.07033	31.5
93.82635	1.8
95.08603	74.7
97.10182	6.3
103.05494	2.5
105.07024	50.1
107.08585	51.5
109.06570	1.9
109.10152	44.3
111.08089	2.1
117.07040	7.6
119.08575	73.2
119.09387	4.5
120.08921	2.4
121.10141	38.8
123.08074	2.6
123.11692	17.3
125.09673	2.7
128.06215	2.2
129.06966	2.8
131.08575	22.5
133.10130	47.9
135.08058	5.5
135.11691	27.0
135.12619	2.8
137.13272	9.1
142.07811	3.0
143.08606	9.1
144.09361	4.4
145.10124	40.1
145.11192	2.9
147.11670	42.4
148.12000	2.6
149.09641	2.8
149.13266	17.4
151.14867	2.8
153.09065	3.3
155.08603	3.9
157.10118	12.7
159.11694	35.2
160.12317	4.4
161.13260	27.1
163.11246	2.7
163.14815	13.7
167.07085	1.9
169.10159	5.1
171.11658	12.7
173.13280	23.0
175.14798	37.5
175.16100	3.2
177.16380	15.5
183.11699	3.7
185.13277	10.1
187.14810	14.4
188.18239	2.1
189.16370	56.2
190.16705	4.0
191.17937	13.0
193.15897	2.5
197.13385	4.3
199.14798	12.3
201.16376	55.2
202.16879	3.1
203.17940	55.5
211.14842	4.1
212.15657	2.4
213.16330	13.8
215.17920	21.1
217.15990	3.1
217.19565	7.5
221.15402	4.1
223.14830	2.7
224.49869	2.4
225.16405	4.3
227.18001	5.2
229.19566	5.2
233.15540	2.9
235.17178	2.9
237.16483	2.8
239.18037	6.9
241.19595	9.1
243.21167	10.5
245.15274	2.4
247.17023	6.9
251.17992	2.3
253.19585	4.3
255.21164	8.7
259.16919	4.1
261.18643	2.4
267.20978	3.1
269.22714	3.1
285.18649	5.5
287.20117	3.2
295.24207	4.4
301.21408	2.8
327.23212	2.8
335.27438	3.7
367.26459	4.2
391.33646	24.8
392.34161	2.7
394.28616	2.5
419.33698	3.2
437.34277	100.0
438.34622	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	437.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.4
55.01887	2.2
55.05510	25.4
56.32568	0.8
56.97112	0.9
57.03439	3.9
57.07073	7.6
59.04988	2.1
65.03952	3.8
67.05502	71.7
69.07068	32.2
69.07447	1.6
70.07396	0.9
71.05000	5.3
71.08640	4.3
73.06567	0.8
79.05490	29.3
81.07054	100.0
82.07391	2.4
83.04980	3.4
83.08623	17.9
85.06538	5.9
85.10179	1.5
89.06020	4.8
91.05475	16.4
93.07041	37.9
95.04961	2.6
95.08603	84.0
96.08947	1.9
97.06524	6.2
97.10162	9.4
97.78715	1.0
99.08080	2.1
105.04564	1.0
105.07022	25.3
107.08589	37.3
109.06554	2.2
109.10153	41.8
110.10527	1.1
111.08102	3.3
111.11719	1.6
115.07541	0.8
117.07005	5.7
119.08570	29.5
119.09423	1.5
120.08929	1.7
121.10143	35.7
123.08091	2.9
123.11697	20.1
124.12077	1.3
125.09659	2.9
127.11310	0.9
129.06985	1.8
131.08566	15.1
133.08601	3.3
133.10129	22.3
135.08157	1.7
135.11678	21.4
135.12633	1.2
136.12056	1.4
137.09648	3.5
137.13257	10.6
139.07591	1.6
139.11223	2.6
142.07739	1.2
143.08620	3.4
144.09367	1.8
145.10112	22.6
147.11687	19.3
149.09686	1.3
149.13245	11.3
151.11214	3.1
151.14848	3.6
153.09122	1.3
153.12773	2.6
155.08591	1.2
157.10153	4.1
158.10910	1.0
159.11705	15.3
161.13251	13.7
163.11224	1.5
163.14827	9.6
165.12756	2.1
169.09993	1.4
171.11702	4.6
173.11848	1.6
173.13210	10.1
175.11186	0.9
175.14822	11.4
176.15311	1.1
177.09103	1.7
177.16367	6.9
179.14380	3.4
181.12276	1.2
183.11800	2.0
185.13304	3.2
187.14787	9.5
189.16370	17.2
191.14319	1.3
191.17924	5.6
193.15921	1.1
197.13316	1.5
199.14893	1.4
201.16380	17.3
201.18080	1.0
203.17934	18.8
205.16010	1.0
207.17538	1.1
209.15436	2.2
211.14777	1.4
213.16438	3.7
215.17935	7.9
217.19614	2.9
219.13921	1.1
223.17023	1.6
225.16507	1.4
227.18071	2.3
229.19615	3.1
233.22763	0.9
235.16823	1.4
239.14960	1.5
239.18080	1.9
241.19453	4.7
243.21101	11.7
244.21545	1.2
247.17064	2.6
255.21236	2.1
261.22131	20.1
262.22552	1.4
267.21161	1.7
269.22711	1.8
277.21725	3.4
279.23209	46.1
280.23654	3.1
295.24335	2.3
299.20245	1.7
335.27539	1.4
381.27930	1.0
391.33704	8.1
401.34299	2.7
419.34970	2.1
421.34940	1.0
437.34305	39.0
438.34674	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	438.1003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82447	1.1
55.01870	1.0
57.03440	1.4
60.72129	1.0
61.02909	1.7
63.90981	1.3
67.68827	1.1
69.03415	5.8
69.54929	1.1
71.31622	1.1
73.02948	1.0
76.52962	1.0
81.03413	3.1
85.02894	7.7
87.54219	1.1
97.02874	4.2
111.47692	1.0
121.02845	1.6
123.04406	2.3
127.03840	1.2
128.58070	1.2
139.03883	2.0
143.01053	5.5
156.02669	29.8
185.04204	3.1
276.04776	81.6
277.05109	4.4
323.06625	1.4
438.10034	100.0
439.10437	6.0
463.36490	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1369
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05145	0.5
65.50353	0.5
69.03444	0.6
70.06564	1.2
71.34338	0.8
81.03413	1.1
84.04490	0.5
85.02897	1.6
86.99007	0.6
99.04449	0.6
99.78327	0.5
112.07622	0.9
115.07446	0.5
121.02867	0.6
122.05813	1.2
123.04465	1.6
127.03904	1.0
135.04364	0.6
137.05952	0.5
138.05409	1.0
139.03917	1.2
139.05945	0.5
153.01819	3.6
154.05002	1.8
167.03435	1.3
171.02910	0.5
184.05804	2.5
292.71356	0.5
323.98553	0.6
328.10089	0.9
408.12445	1.0
435.08548	0.6
438.13690	100.0
439.14093	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	438.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54202	4.1
63.00715	4.8
67.05499	22.5
69.03422	8.4
70.06606	4.8
71.04967	5.0
71.31861	4.8
71.32233	7.0
80.25082	4.5
81.03442	8.2
83.61359	4.7
85.02907	12.5
89.06049	11.3
92.18609	4.6
94.25027	4.4
95.04979	8.7
99.40916	4.8
106.06540	6.8
109.02880	9.3
121.76417	5.3
123.04419	14.7
127.03954	4.6
134.99417	5.0
136.05060	6.1
137.05960	27.6
138.05495	70.1
139.03870	6.6
141.05521	6.2
144.41568	5.1
154.06100	5.4
155.09370	6.3
155.57079	5.6
158.20145	4.5
167.07034	100.0
168.81795	5.1
170.02794	8.8
170.05748	17.7
181.08521	5.5
210.18581	9.0
214.05327	29.5
241.10674	12.2
242.04810	5.9
254.94508	4.6
259.11810	8.5
260.05795	24.7
286.58899	5.3
438.13455	33.3
439.14578	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	438.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54202	4.1
63.00715	4.8
67.05499	22.5
69.03422	8.4
70.06606	4.8
71.04967	5.0
71.31861	4.8
71.32233	7.0
80.25082	4.5
81.03442	8.2
83.61359	4.7
85.02907	12.5
89.06049	11.3
92.18609	4.6
94.25027	4.4
95.04979	8.7
99.40916	4.8
106.06540	6.8
109.02880	9.3
121.76417	5.3
123.04419	14.7
127.03954	4.6
134.99417	5.0
136.05060	6.1
137.05960	27.6
138.05495	70.1
139.03870	6.6
141.05521	6.2
144.41568	5.1
154.06100	5.4
155.09370	6.3
155.57079	5.6
158.20145	4.5
167.07034	100.0
168.81795	5.1
170.02794	8.8
170.05748	17.7
181.08521	5.5
210.18581	9.0
214.05327	29.5
241.10674	12.2
242.04810	5.9
254.94508	4.6
259.11810	8.5
260.05795	24.7
286.58899	5.3
438.13455	33.3
439.14578	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	438.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88504	1.9
53.03940	2.8
54.23454	2.0
55.05499	5.8
57.03438	15.4
61.02906	2.1
67.05483	6.3
69.03419	4.5
69.07050	2.3
71.04995	70.4
71.32402	1.7
73.02917	3.7
74.98479	1.8
75.04476	5.3
79.05475	4.3
81.03416	8.0
81.07055	6.2
83.04963	8.3
85.02906	100.0
85.06557	3.0
87.04452	3.3
91.05466	4.9
93.07039	8.1
95.04980	2.6
95.08599	22.5
97.02885	5.8
99.04446	3.7
103.05474	2.6
105.07031	5.9
106.07343	2.2
107.04974	2.8
107.08594	5.4
109.02873	5.3
109.10172	2.2
110.06010	7.3
111.04421	5.1
113.09621	3.2
119.08556	4.3
121.02863	23.4
121.10114	3.3
123.04449	3.8
127.03910	6.6
129.05486	38.7
131.08546	4.5
133.10127	2.8
137.05954	2.8
137.09592	3.1
139.03889	5.2
145.05009	3.3
147.06514	19.1
147.08035	3.2
147.11722	2.0
149.09537	2.2
151.03853	2.1
159.11743	2.9
164.09192	6.7
167.07133	2.6
259.09576	2.3
265.06970	3.3
269.12903	2.2
283.08170	3.8
303.04865	3.4
304.05237	2.8
305.05530	4.8
306.05905	6.3
313.11774	5.7
330.23868	2.1
363.24881	2.8
438.14450	31.2
439.14392	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	438.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.3
67.05504	1.0
69.53214	5.3
69.53621	1.7
70.76134	1.0
81.07090	1.0
91.05463	2.4
93.07050	2.1
95.04963	6.8
96.05315	2.2
100.11259	1.1
103.35215	1.0
105.03381	1.6
105.07051	1.5
111.29166	0.9
119.08625	1.5
121.06532	1.1
123.04404	7.8
124.04737	2.7
140.04665	2.4
151.03954	1.3
151.45998	1.1
154.06238	1.3
155.07048	2.5
156.07393	1.2
167.07030	17.1
167.08424	1.2
168.07335	2.0
169.04771	1.1
181.05077	1.7
181.08568	4.3
182.08821	1.9
183.06512	9.2
184.06831	5.4
193.08696	1.5
203.05315	2.4
209.08076	1.9
210.08546	2.6
211.09642	3.5
212.10083	1.3
259.16693	1.2
277.17596	2.4
287.05457	1.1
369.18808	6.5
420.06885	1.3
438.21597	4.8
439.23059	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.0
55.05509	1.4
62.70771	0.8
64.51163	0.7
67.05502	0.8
70.67832	2.4
79.05493	3.4
81.07061	1.5
87.30820	0.8
91.05463	2.2
93.07043	1.0
95.04955	1.9
95.08624	1.2
97.95580	0.7
103.05474	3.1
105.07034	4.4
107.04948	32.5
107.08573	2.1
115.05472	1.7
117.07001	1.1
119.42648	0.8
120.05704	1.4
121.10114	1.2
133.06483	0.8
135.08037	10.2
141.39381	0.9
150.09251	0.8
154.06232	2.3
163.07542	15.0
167.07022	15.9
180.07758	2.2
195.10158	100.0
196.10497	4.9
210.42500	1.0
258.05731	0.9
412.49026	1.0
438.21701	1.1
438.33905	1.6
439.22565	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50578	3.7
70.40996	8.4
70.41354	7.7
71.42505	3.7
100.10231	3.8
108.91551	5.0
137.05969	100.0
147.00035	3.8
154.95201	3.6
167.07024	11.9
181.08542	6.5
190.28296	4.1
209.08060	8.3
293.25909	4.3
439.23123	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	0.9
71.18728	1.6
71.31557	0.7
78.01650	0.7
78.12965	0.7
79.05488	3.9
81.07048	1.7
86.50500	0.7
91.05483	2.5
93.07069	1.2
95.04936	1.2
95.08589	1.7
103.05476	3.5
105.07034	4.5
107.04954	30.9
107.08567	1.5
109.06573	0.8
109.10174	0.9
115.05450	3.1
119.08585	1.6
120.05784	0.7
121.10106	1.1
125.06009	0.8
133.10124	0.8
135.08064	9.6
137.06009	1.4
143.08647	0.8
145.10170	1.0
154.06233	2.2
160.74017	0.8
163.07541	17.7
167.07030	17.5
180.07828	2.4
195.10153	100.0
196.10509	5.2
261.90466	0.8
271.88885	0.8
276.14545	0.7
438.33661	2.7
439.23013	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75114	0.5
56.74688	0.5
56.96565	15.5
57.01824	0.5
58.70738	0.5
61.24022	0.6
62.61627	0.5
64.69655	0.6
67.65090	0.5
68.20419	0.7
71.31332	0.7
71.31763	0.7
71.95261	0.6
80.81402	0.5
84.96040	4.5
85.02913	0.7
86.41277	0.5
97.02879	0.8
98.97581	100.0
103.00588	0.5
110.97565	11.7
112.99125	2.6
115.18885	0.5
116.98618	30.0
121.01672	0.8
123.04420	0.6
123.56369	0.6
124.99138	1.0
126.97051	1.1
127.00661	1.5
128.98619	8.2
129.02248	1.6
131.00188	1.7
134.99643	5.6
140.98582	1.5
143.00165	2.9
144.98080	2.3
145.01723	5.0
146.99675	3.5
147.03291	6.6
149.01154	0.6
152.98627	3.1
155.01863	0.7
158.99652	38.3
160.00005	0.8
161.01231	2.7
162.99179	1.4
163.02779	2.2
165.00604	0.7
165.04346	4.0
170.99661	3.9
171.03259	3.2
175.02785	1.0
175.11847	0.6
177.00708	24.2
177.02275	1.1
187.04308	0.6
189.00681	2.3
189.04335	9.9
189.05920	1.1
191.05901	0.7
193.03755	1.2
195.01721	1.2
199.02663	0.6
200.02264	0.9
201.00647	3.3
201.04327	1.3
205.03813	0.6
207.01849	0.8
207.05386	2.9
215.05840	0.7
219.01764	23.1
220.02068	0.8
225.04355	1.1
231.05325	3.1
237.02814	25.0
238.03087	1.3
247.04929	1.7
249.06487	2.7
255.03978	1.0
284.97180	1.0
291.07480	30.7
292.07849	1.3
309.08542	82.7
310.08801	4.0
332.10077	1.8
351.09573	14.2
352.09875	0.6
354.97668	0.6
363.09662	2.1
371.04977	0.6
389.07443	2.3
421.10190	10.8
422.10788	0.9
439.11221	39.0
439.16348	1.7
440.11444	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	439.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73801	0.8
53.03946	9.1
55.01861	2.3
55.53125	0.6
61.02912	2.7
65.03931	2.9
67.05502	6.2
68.60663	0.8
68.66526	0.6
70.71756	1.6
71.01323	1.4
71.78265	0.7
73.56261	0.7
77.03889	1.0
79.05481	2.1
81.03407	2.2
81.07001	0.9
86.09655	0.9
91.05469	2.3
93.03402	1.2
95.04963	72.1
96.05300	1.6
97.02855	0.7
105.04507	4.1
106.65471	0.7
107.04961	2.9
108.02096	1.3
109.06516	1.0
111.04392	1.0
117.03368	0.8
118.04237	1.0
119.04919	1.6
121.06497	2.6
123.04422	76.9
124.04797	1.3
125.02337	2.1
125.05967	1.9
127.07568	1.4
131.05055	0.6
135.04420	3.2
137.05945	2.5
139.03975	1.3
139.07611	0.8
140.04677	24.9
141.05429	2.1
147.04419	2.2
149.05952	3.4
151.03903	30.6
151.04974	2.3
151.07498	1.3
152.04198	0.8
153.05467	2.4
155.07016	44.3
156.07356	1.9
161.05957	1.2
163.03889	2.0
165.05470	2.2
167.07021	20.4
173.08043	0.8
177.05495	4.2
177.09004	0.7
178.06183	3.8
179.06990	4.9
182.05772	0.7
183.06519	100.0
184.06879	4.3
193.04875	1.3
195.06490	7.0
196.07233	2.0
197.07977	1.1
201.07565	0.9
207.06613	0.8
209.08182	0.8
216.80240	0.7
225.07552	14.3
225.09625	1.1
277.10458	2.3
287.80862	1.0
325.35443	0.8
349.46448	0.7
398.22079	0.8
421.10822	1.1
439.16290	7.1
440.24530	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52140	0.7
53.03923	0.8
55.05518	1.1
55.28701	0.7
67.05494	0.7
69.24009	1.0
69.24416	5.9
78.04692	3.1
79.05475	2.0
91.05470	1.8
95.04982	1.3
105.07033	1.7
106.04192	1.0
107.04948	2.1
107.08619	0.7
109.02861	0.9
123.04436	7.1
124.05226	1.7
133.06453	0.9
134.03677	0.8
135.04413	2.2
137.05977	1.7
140.40108	0.7
147.04408	0.8
149.06020	1.4
151.03899	2.2
152.04663	1.3
153.01839	3.8
161.05917	1.5
167.07033	100.0
168.07385	4.7
177.05432	0.9
181.08543	1.0
193.08575	4.0
203.05092	0.9
211.09676	2.3
274.13339	0.8
378.70596	1.4
379.20798	0.8
387.71362	1.0
397.42883	0.7
400.86172	0.7
439.22745	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2301
Annotation	Thr Arg Tyr
Peak:m/z	Relative Intensity
50.56341	0.2
53.03949	0.5
54.29418	0.3
55.05509	0.5
57.03443	0.4
67.05512	0.5
69.03430	0.8
69.07071	2.5
73.02918	0.8
79.05486	0.4
81.03415	0.4
81.07057	0.8
85.02905	2.1
85.06561	0.3
91.05500	0.4
93.07048	1.0
95.08635	0.5
97.02899	1.1
98.22616	0.8
103.05460	0.3
105.07040	0.9
107.08590	0.7
109.02892	0.5
109.10178	1.0
111.08081	0.3
111.11732	0.8
115.03912	0.6
117.07025	0.4
119.08628	0.7
121.10162	0.8
123.11712	0.4
127.03904	0.6
129.12756	1.4
131.04948	0.3
131.08554	0.4
133.04987	0.5
133.10164	0.7
135.11743	0.3
139.11234	0.3
145.04976	0.7
145.10149	0.4
147.04443	0.6
147.11688	0.4
151.03851	0.3
151.07449	0.3
159.11700	0.4
164.08344	0.3
171.11714	0.7
175.11227	0.3
175.15112	0.3
185.13394	0.3
199.14792	0.3
203.05316	0.7
229.06848	0.5
277.17636	0.7
369.18814	2.9
439.23053	100.0
440.23343	8.3
462.93210	0.3
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
54.19777	0.3
55.76625	0.3
66.83570	0.3
67.88220	0.2
70.69032	0.8
95.01088	0.5
95.53778	0.3
96.01887	0.7
97.02695	0.7
113.02096	0.7
125.02146	0.3
127.03777	0.3
128.04457	0.3
141.05211	0.6
157.04727	0.6
169.04715	1.3
174.39265	0.2
184.47180	0.3
185.04286	0.3
186.05023	0.4
203.05263	3.8
225.76810	0.3
259.16632	2.5
277.17715	2.2
369.18823	6.2
439.23035	100.0
440.23331	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	439.2302
Annotation	Thr Arg Tyr
Peak:m/z	Relative Intensity
55.01881	0.2
55.05509	1.3
57.03431	0.5
57.07090	0.2
59.05009	0.3
60.57734	0.2
67.05503	5.3
69.03422	0.6
69.07076	1.6
71.04994	0.6
74.04710	0.2
78.24857	0.2
79.05487	1.7
81.03417	1.7
81.07058	3.1
83.04969	0.7
83.08622	1.0
85.02904	1.0
85.06549	0.8
86.09700	0.3
91.05486	1.7
92.41238	0.2
93.07051	2.9
94.07390	0.2
95.04977	1.0
95.08607	3.4
96.09039	0.2
97.02901	0.4
97.06538	0.3
97.10189	0.4
98.22629	0.6
99.04462	0.2
105.07050	2.6
107.04946	0.4
107.08608	2.4
109.06538	0.5
109.10164	4.2
111.08082	0.8
111.11722	0.2
117.07011	0.8
119.08588	2.2
121.06509	0.4
121.10137	2.0
123.08064	0.3
123.11731	0.6
125.05991	0.3
125.09656	0.4
129.02080	0.2
129.07042	0.3
131.08553	1.3
133.06538	0.3
133.10118	1.8
135.08025	0.4
135.11703	1.3
137.05942	0.3
137.09613	0.4
139.07545	0.3
139.11211	0.2
142.07631	0.2
143.08574	0.7
145.06451	0.3
145.10112	1.8
147.08064	0.3
147.11694	1.6
149.09621	0.3
149.13271	0.9
151.03925	0.6
151.11195	0.3
155.08525	0.5
157.10126	0.9
159.11754	1.6
161.13248	0.9
161.90535	0.2
163.14790	0.3
165.09161	0.7
169.10156	0.4
171.11734	0.7
173.11824	0.6
173.13283	0.9
175.11180	0.5
175.14839	0.4
177.12727	0.3
177.16425	0.5
183.11754	0.5
185.13155	0.6
187.14841	0.8
189.12836	0.6
189.16386	0.7
191.17943	0.5
193.12221	1.2
195.11696	0.3
197.13268	0.3
199.14761	0.5
201.12706	0.3
201.16385	0.5
203.14276	0.4
203.17993	0.5
205.15916	0.3
211.13203	1.1
213.16306	0.5
217.19472	0.3
229.16074	0.2
244.11961	0.2
257.90326	0.3
259.16797	0.4
273.09601	0.6
277.17767	2.3
377.23087	0.3
393.31595	0.3
395.25079	0.3
421.26877	0.4
422.31281	0.3
439.23010	100.0
440.17596	0.5
440.23386	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02057	0.7
53.03941	2.3
55.01878	2.1
55.05515	16.0
55.93518	0.7
57.03437	7.9
57.07076	1.7
59.05003	4.8
59.09304	0.8
65.03935	2.8
67.05506	100.0
68.05853	2.0
69.03442	2.3
69.07073	6.4
69.12587	1.8
69.12989	5.2
71.04990	6.2
73.44373	0.7
79.05492	16.5
81.03421	33.3
81.07063	30.8
83.04994	5.6
83.08625	18.2
85.02908	18.1
85.06545	4.5
91.05484	19.7
93.07049	14.8
95.04973	15.3
95.08601	13.2
95.77060	0.8
97.02899	1.7
97.06532	2.6
97.10197	2.8
99.04470	1.0
99.08141	1.2
103.05459	1.0
105.07030	15.1
107.04976	2.8
107.08589	8.3
109.06574	2.8
109.10157	70.4
110.10497	2.1
111.04483	2.1
111.08092	8.9
113.06017	1.8
117.06994	1.7
119.08597	18.1
121.06454	1.3
121.10139	7.3
123.08105	2.6
123.11725	2.8
127.07634	0.9
129.07002	6.6
131.08591	7.6
133.06564	1.1
133.10139	7.3
135.11713	2.3
137.09647	5.0
142.07840	1.7
143.08566	1.4
145.10167	2.8
147.08104	2.2
147.11668	8.5
149.09625	4.2
149.13318	1.8
155.10655	5.1
157.10123	8.5
159.11761	2.7
161.13313	1.5
163.14873	0.7
165.12788	1.9
171.11761	2.9
173.08324	0.7
173.11749	15.5
173.13211	1.7
175.11215	8.5
175.14847	1.8
183.11752	1.1
185.13319	1.7
187.11261	0.9
187.14839	1.7
189.16370	1.3
191.18079	1.0
193.12262	31.1
194.12589	1.3
201.12807	0.8
201.16432	1.2
203.18016	1.3
205.16089	0.9
211.13283	34.2
212.13739	1.7
213.16466	1.0
219.17424	0.9
229.14366	2.0
231.14114	0.7
259.09753	0.8
267.16028	0.9
393.31656	1.0
439.27094	38.1
439.32019	3.5
440.27426	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	439.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82519	1.6
53.03947	4.7
55.01880	5.7
55.05510	32.8
57.03431	3.1
57.07076	5.3
59.05020	1.8
65.03942	2.2
67.05503	73.4
69.03426	2.0
69.07069	88.7
71.05000	6.3
71.31879	2.0
72.88798	1.6
73.06557	8.9
79.05491	53.6
81.03415	8.2
81.07056	100.0
82.07418	1.9
83.04979	6.7
83.08617	21.5
85.02924	2.4
85.06537	8.9
87.04455	2.1
91.05476	27.9
93.06453	3.0
93.07044	55.8
94.07445	1.5
95.04986	7.7
95.08604	87.0
97.06528	26.7
97.10190	9.5
99.08111	4.7
105.07027	38.4
107.04984	3.4
107.08591	45.6
109.06522	5.1
109.10155	48.6
111.08069	8.4
111.11718	2.3
115.07566	4.7
117.07040	11.8
119.08579	35.3
121.06512	4.5
121.10146	42.9
123.08076	9.0
123.11716	18.6
125.05989	38.6
125.09613	4.1
129.07027	6.2
131.08549	22.1
133.10124	35.4
134.10492	2.2
135.08054	5.8
135.10699	1.1
135.11693	31.5
135.12665	3.0
137.09637	4.6
137.13264	8.2
139.07562	3.7
139.11223	2.3
140.96558	1.9
143.07034	46.5
143.08554	12.9
145.10126	25.3
147.08061	5.0
147.11690	25.5
149.02390	4.5
149.09674	6.2
149.13235	17.1
150.02682	2.4
151.11192	3.8
151.14766	2.7
153.09148	4.5
153.12787	2.3
155.08556	4.0
156.09303	2.4
157.10068	13.4
159.08087	2.9
159.11681	24.2
161.08125	11.0
161.09624	5.3
161.13246	18.2
163.11208	5.7
163.14847	8.6
165.09067	1.7
165.12798	3.2
167.10638	3.0
168.09366	1.6
169.10135	6.7
170.10832	1.8
171.11667	18.2
172.12466	1.6
173.09573	3.2
173.11812	3.3
173.13226	17.9
175.11229	4.0
175.14815	10.7
177.12793	5.4
177.16435	6.7
179.14349	4.6
181.10117	2.5
181.12134	2.3
183.11691	4.5
185.13239	9.3
187.11279	3.2
187.14792	15.9
189.12805	5.3
189.16377	11.7
191.14352	4.4
191.17969	7.7
193.05031	4.5
193.12289	3.9
194.05344	3.1
195.11685	3.1
197.09856	1.8
197.13255	5.1
199.14847	5.9
201.12820	3.8
201.16394	8.3
203.14380	5.8
203.17944	12.0
205.15874	3.6
207.17459	3.5
209.13281	4.1
211.14983	3.8
213.12796	2.5
213.16438	5.3
215.14334	4.1
215.18004	4.1
217.12221	2.9
217.15897	3.3
217.19464	2.3
219.13809	1.9
223.15034	2.4
225.16414	4.4
227.18010	3.8
233.15393	2.5
237.16405	2.4
239.17932	7.4
241.19466	3.4
243.17393	3.5
243.21103	8.9
245.19063	1.8
247.17155	3.1
249.18477	2.7
251.17982	2.2
253.19580	2.7
257.19247	2.5
259.20566	2.6
261.19336	2.9
261.22122	22.1
277.21829	2.4
279.23184	62.6
280.23517	4.3
281.08121	3.3
282.08392	5.5
287.23108	1.8
297.24384	10.1
311.09171	12.3
312.09421	35.4
313.09631	2.1
364.55621	1.7
366.10718	1.6
367.26154	2.3
375.30200	2.6
384.28198	1.8
385.27362	10.2
393.31726	4.1
403.28458	32.9
404.28766	2.7
421.30533	16.3
422.13199	8.6
439.16113	33.0
439.26697	69.2
439.31836	28.8
440.16245	5.8
440.26758	8.4
440.32330	2.2
450.11023	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.2
55.05508	17.8
57.07069	9.6
57.64605	2.3
58.60758	2.5
59.05006	4.9
65.03922	3.6
67.05503	33.0
67.93024	2.2
69.03425	4.9
69.07069	33.7
69.11159	15.4
69.11584	7.5
71.04989	5.1
71.08636	4.1
79.05492	26.9
81.07056	57.5
83.04979	6.8
83.08610	14.1
85.06552	3.6
87.04474	5.3
89.06023	6.8
91.05470	19.7
93.07040	46.2
94.07375	2.8
95.04966	5.8
95.08606	75.8
96.08954	2.6
97.06515	8.4
97.10162	6.8
98.23317	6.2
105.06361	3.9
105.07031	58.6
107.08593	65.2
109.06487	6.9
109.10155	54.1
110.10519	3.2
111.08089	7.9
111.11730	2.3
117.07001	7.2
119.08577	61.6
121.06465	3.6
121.10139	73.1
122.10442	3.2
123.08048	10.2
123.11686	23.9
125.09591	4.8
131.08586	17.7
132.08937	3.8
133.08546	3.8
133.10117	43.0
135.08032	7.6
135.11687	30.5
137.09619	34.3
137.13266	8.8
139.07515	5.5
139.11160	28.3
143.08566	7.1
145.10141	26.3
147.07997	4.1
147.11687	54.6
149.09628	11.8
149.13249	21.0
150.10376	7.9
151.11147	9.9
153.09119	3.3
155.08536	2.4
157.10168	14.7
158.10922	2.9
159.11699	20.1
161.09604	6.7
161.13264	27.2
162.13513	2.5
163.11209	3.6
163.14821	14.7
165.09129	2.8
167.10719	14.6
169.10141	5.0
171.11702	10.0
173.13304	19.5
175.14825	24.4
177.12785	2.6
177.16420	9.5
179.10661	5.2
179.14241	2.8
183.10257	3.4
183.11789	6.2
185.13263	9.1
187.14798	14.6
189.12775	3.6
189.16385	18.3
191.10783	3.0
191.14278	6.2
191.17934	7.8
193.15871	8.4
197.13280	6.0
199.14812	6.9
201.12697	2.6
201.16406	15.7
203.14296	11.0
203.17946	77.7
204.18263	4.6
205.15854	4.5
207.13809	4.1
209.13542	3.5
209.15331	11.8
211.14789	4.5
213.12877	3.4
213.16376	6.2
215.14288	5.4
215.17944	10.2
217.15854	6.4
219.13664	2.3
219.17355	2.8
221.15396	4.9
227.17920	6.5
229.19493	3.7
231.13885	3.0
231.17546	3.3
235.13231	30.5
237.14809	80.0
237.17046	4.0
238.15289	4.5
239.14828	3.8
239.18124	3.2
241.19540	4.8
243.20973	2.9
245.19106	3.0
248.24757	2.4
249.14914	15.0
251.16417	4.0
257.22607	4.7
259.20563	4.1
261.14844	2.8
261.21924	2.6
265.19547	3.5
267.21109	4.3
269.22546	6.2
277.21619	4.9
279.23138	7.7
281.22690	2.8
383.25803	3.1
403.33447	13.7
421.34848	50.2
422.35233	5.8
439.22018	5.5
439.31070	100.0
439.36459	25.9
440.31677	11.2
447.45303	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	439.321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.6
55.05510	32.8
57.07072	7.6
67.05505	38.1
69.07076	40.4
69.22509	6.3
69.22912	17.3
76.12985	3.1
79.05497	42.6
81.07057	68.8
83.08627	18.0
85.06562	5.0
91.05476	39.8
93.07040	68.2
93.07597	4.0
94.07473	3.2
95.04974	6.9
95.08607	100.0
96.08965	4.4
97.06532	6.5
97.10176	12.8
103.05538	3.3
105.07027	62.1
107.08594	97.5
108.08971	3.5
109.06516	6.0
109.10162	55.3
111.08102	4.2
117.07031	13.2
119.08580	59.6
121.10146	78.4
122.10498	4.8
123.08067	6.4
123.11741	19.9
124.89253	3.1
125.09638	7.9
129.07007	10.3
131.08566	28.4
133.06482	30.6
133.10121	49.3
135.08086	11.1
135.11693	44.9
137.13249	5.2
143.08592	23.8
145.10126	35.7
147.08054	5.6
147.11697	40.4
148.12021	3.3
149.09668	3.6
149.13242	22.3
155.08522	7.5
156.09421	3.2
157.10085	20.1
159.11688	36.5
161.09576	6.1
161.13266	30.4
163.11302	2.9
163.14828	48.8
165.12854	3.3
169.10146	13.3
171.11633	18.0
173.09731	3.9
173.13263	26.3
174.13678	3.5
175.14787	23.7
177.16414	19.8
179.14319	4.3
181.10156	6.4
183.11702	12.3
185.13231	15.3
187.14824	29.9
189.16393	18.5
190.16882	3.4
191.17952	10.2
193.15752	4.0
195.11636	4.2
197.13307	9.7
199.14838	18.7
201.12814	6.7
201.16396	39.2
203.14317	35.4
203.18025	10.1
205.15968	4.8
207.13805	3.9
209.13272	6.9
211.14870	9.2
213.16422	11.7
215.14394	3.0
215.17934	17.8
217.12279	4.4
217.15955	16.7
217.19522	34.7
221.15338	5.5
223.14824	5.3
225.16522	8.4
227.17984	12.2
231.17493	9.1
233.15366	3.5
237.16405	3.5
239.18062	4.4
245.15501	3.8
245.18990	3.5
249.14877	42.9
250.15425	3.9
251.17752	3.6
253.19412	5.2
261.22379	4.6
265.19608	3.7
273.18683	4.9
277.18115	3.5
279.23282	10.8
281.22617	4.6
311.19919	4.7
325.21509	4.0
349.10696	3.3
351.23166	3.3
375.30484	18.0
385.30859	3.4
393.31592	9.5
421.30847	45.7
422.31119	3.1
439.31570	68.7
440.32056	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	439.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.9
55.01876	1.6
55.05512	11.2
57.03429	11.3
57.07074	3.3
58.87947	1.2
60.37422	1.1
67.05499	15.1
69.03432	2.2
69.07068	16.4
69.81551	3.1
69.81940	2.1
79.05487	13.7
80.26220	1.4
81.03423	2.9
81.07055	33.5
83.04976	2.4
83.08619	5.9
85.02885	1.6
91.05473	16.9
91.87727	1.3
93.07042	33.1
95.04970	2.6
95.08023	2.9
95.08609	51.3
97.06525	7.9
97.10172	3.8
105.07024	34.9
107.08593	44.1
109.06526	4.8
109.10154	24.2
110.10451	1.6
111.08076	13.4
115.05454	2.6
117.07016	5.3
119.08579	62.1
120.08929	3.0
121.06536	9.0
121.10142	33.6
121.10992	2.2
123.08106	7.9
123.11703	8.8
125.09624	1.4
128.06194	2.5
129.06998	4.0
130.07788	1.9
131.08566	18.8
132.05714	1.6
133.10126	41.3
135.08052	12.9
135.11688	14.4
137.05934	1.9
137.09637	5.6
139.11168	1.7
142.07748	2.4
143.08568	6.8
145.06482	2.2
145.08968	2.9
145.10118	43.3
146.07253	1.9
146.10518	2.1
147.08032	25.6
147.11673	27.0
149.09613	5.4
149.13264	13.2
151.11185	2.6
153.09090	2.5
155.08577	2.6
156.09326	3.3
157.08847	2.3
157.10115	21.3
159.08098	2.7
159.11687	20.3
160.08868	1.7
161.09621	63.7
161.13243	22.3
162.09993	2.8
163.07587	1.5
163.11214	2.6
163.14787	16.8
169.10106	3.8
170.10933	3.9
171.11705	7.8
173.09633	3.2
173.13232	17.7
174.10538	1.3
175.11150	13.0
175.14824	23.8
176.15154	2.1
177.12758	3.8
177.16367	40.5
178.16719	1.7
179.10612	2.7
179.14400	2.1
183.11693	3.9
185.13266	16.7
186.10464	1.6
187.11208	6.1
187.14815	41.1
188.15099	3.2
189.12740	30.8
189.16388	31.4
190.13173	1.4
190.16759	2.2
191.14308	16.6
191.17897	8.0
193.12300	1.6
193.15921	4.3
195.11603	2.0
197.13271	2.8
199.14830	7.9
201.12752	8.2
201.16388	38.4
202.16724	3.0
203.05324	4.8
203.14313	49.9
203.17940	27.5
204.14598	1.8
204.18382	1.5
205.15895	10.5
205.19502	2.8
207.17393	4.2
211.14873	3.1
213.16400	5.2
215.14339	17.0
215.17935	6.1
217.15855	20.0
217.19490	2.7
219.17419	13.2
219.21028	3.9
227.18069	1.9
229.15848	4.8
229.19566	2.9
231.17569	3.7
235.16913	3.7
239.17963	2.7
241.19467	2.0
243.17456	5.0
245.18904	3.2
247.16930	9.2
249.18597	2.8
253.19521	2.1
259.16748	3.0
265.19452	2.1
277.17920	1.9
298.12967	1.4
299.10788	1.9
321.25754	4.5
367.26431	2.9
375.30417	7.9
393.31516	79.1
394.31689	10.1
421.31012	10.7
439.22980	100.0
439.32065	37.7
440.23346	12.1
440.32465	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	439.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.0
55.05507	16.4
57.03448	3.0
57.07069	3.1
59.05002	2.9
65.03939	2.9
67.05502	44.1
69.03451	1.7
69.07066	15.2
69.10027	11.4
71.04990	2.8
79.05490	21.4
81.03426	7.4
81.07054	47.2
83.04972	4.6
83.08614	11.9
85.02897	3.5
85.06548	2.8
91.05476	30.9
92.05857	1.5
93.07044	48.6
95.04971	5.4
95.08600	57.4
96.12138	1.4
97.06537	3.9
97.10150	3.7
99.08062	2.3
103.05474	2.5
105.07029	51.1
106.07381	1.6
107.04982	1.5
107.08595	54.0
109.06523	6.8
109.10151	48.2
109.10903	2.9
110.10455	1.9
111.08075	53.7
113.09634	1.8
117.07007	15.0
119.08578	51.7
121.10134	31.5
123.08061	2.9
123.11727	13.3
125.09678	2.1
128.06252	2.2
129.07051	9.2
130.07758	1.6
131.08556	33.1
133.10123	35.5
135.08112	3.2
135.11688	22.2
137.09653	3.2
137.13231	3.5
139.11192	2.5
141.06969	4.3
142.07773	5.5
143.08565	21.8
144.09264	2.6
145.10114	44.4
146.10518	2.5
147.08044	3.1
147.11676	32.3
148.12053	1.6
149.06000	1.6
149.09671	3.1
149.13243	15.0
151.07529	2.0
151.11186	4.2
153.09073	2.6
155.08607	8.3
156.09288	3.7
157.10117	29.0
158.10823	1.8
159.11690	34.3
161.09631	2.3
161.13240	29.2
163.07561	2.3
163.14796	17.7
165.12723	8.2
167.08521	2.4
168.09248	3.0
169.10115	14.9
170.10767	1.7
171.11688	23.4
173.11742	3.7
173.13226	30.3
175.11179	3.2
175.14822	22.4
177.12672	1.5
177.16377	5.7
179.14189	3.5
181.10126	4.8
182.10970	1.7
183.11665	15.1
184.12321	1.9
185.13255	24.6
186.13971	4.1
187.14818	38.2
188.15207	2.1
189.12753	2.2
189.16373	11.4
191.14322	2.4
191.18054	1.8
193.12209	6.8
193.15846	2.9
195.11687	9.1
196.12317	2.3
197.13231	13.4
198.13914	4.1
199.14796	20.8
200.15488	1.5
201.16360	19.8
202.16678	1.5
203.10803	2.6
203.14302	4.5
203.17926	4.7
204.90770	1.6
205.15906	6.5
207.13757	1.8
207.17509	2.7
209.13269	7.3
210.13948	1.6
211.13237	6.5
211.14951	8.9
213.16370	12.5
215.17934	7.5
217.15909	5.2
219.13834	2.9
219.17473	5.4
223.14894	4.5
225.16379	13.6
226.16980	1.9
227.17937	15.6
229.19530	4.4
231.17395	4.0
233.15384	2.6
235.14806	2.8
237.16350	8.2
239.17943	20.2
241.19528	11.7
242.19994	1.6
243.20930	1.8
245.15326	3.3
245.18980	12.2
251.18008	4.4
253.19490	11.0
254.19902	2.5
255.21063	3.7
257.19006	10.5
259.16937	4.3
263.17865	1.8
265.19626	8.6
267.21066	6.5
269.19073	2.6
271.17108	2.1
271.20602	4.3
273.18500	4.3
279.21051	10.3
281.22562	2.9
283.16840	2.6
285.18539	8.8
287.20117	5.8
291.21075	2.9
293.22656	3.1
295.24335	2.6
297.22144	2.7
299.20078	5.3
311.20102	2.6
313.21695	3.7
319.24338	2.6
325.21683	8.1
327.23184	4.2
333.25858	2.4
335.27365	9.7
337.25107	1.8
339.23276	5.1
341.25110	2.6
375.30450	14.9
379.26279	3.2
381.27921	13.0
393.31491	56.9
394.31900	6.0
403.29953	2.2
409.30936	5.8
421.30927	36.5
422.31314	3.7
439.22400	15.7
439.27414	7.0
439.32059	100.0
440.32193	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	439.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.2
55.05510	14.5
57.07075	8.1
59.05006	1.0
65.03928	1.4
67.05499	26.1
67.09007	0.8
69.03443	1.7
69.07065	22.1
69.07447	1.1
69.33620	6.5
69.84526	1.0
71.04999	2.7
71.08636	1.9
72.91302	1.0
77.03893	1.1
79.05489	19.7
81.03419	2.2
81.07055	64.3
82.07410	1.6
83.04979	2.3
83.08614	12.9
85.02901	1.2
85.06538	12.7
86.09724	5.1
91.05473	18.6
93.07040	43.1
94.07372	1.1
95.04975	3.8
95.08603	100.0
96.08981	3.3
97.06539	2.3
97.10184	5.0
105.07028	38.1
105.07745	1.8
107.04989	1.2
107.08588	61.5
108.08930	1.8
109.06529	2.7
109.10148	37.4
111.08072	2.3
111.11709	1.2
116.06299	1.2
117.07030	6.6
119.08576	34.5
120.08868	2.4
121.06532	2.2
121.10138	44.9
123.08074	3.1
123.11700	19.1
123.12521	1.3
128.06245	1.8
129.07007	6.9
131.08575	19.3
131.09473	1.6
133.06554	1.4
133.10127	29.7
135.08086	2.3
135.11688	48.8
136.12030	1.1
137.09613	2.3
137.13246	39.1
138.13600	2.5
142.07779	2.8
143.08556	13.5
144.09337	1.2
145.10120	19.4
146.10878	1.0
147.08081	1.9
147.11684	22.8
149.02351	1.3
149.05968	1.2
149.09628	2.0
149.13251	39.9
150.13622	2.7
151.07555	2.3
151.14803	8.0
153.02425	1.1
155.08578	4.2
156.09335	3.2
157.10126	13.5
158.10838	1.6
159.11690	18.4
160.12454	1.0
161.09663	4.6
161.13266	19.4
163.11220	2.4
163.14810	7.7
165.16476	1.2
167.08575	1.1
169.10127	8.1
170.10876	1.8
171.11694	17.1
173.09610	3.2
173.13261	14.2
174.13837	1.2
175.07512	1.1
175.11209	3.5
175.14813	8.2
177.12794	4.2
177.16379	30.5
178.16718	1.5
179.18047	1.8
181.10173	2.9
182.10835	1.2
183.11711	9.9
184.12193	1.1
185.13251	15.1
187.11087	4.7
187.14818	11.7
189.09151	1.0
189.11298	1.9
189.12804	8.0
189.16376	13.0
191.17931	9.8
193.10345	1.4
193.12248	1.7
193.19572	1.3
195.11743	3.2
197.13229	8.6
199.11252	3.5
199.14815	14.0
201.12756	5.8
201.16373	10.7
203.14360	5.3
203.17955	25.0
204.14476	0.9
205.12323	2.1
205.15866	1.6
205.19511	3.0
207.17494	2.2
209.13307	2.8
211.14827	5.0
213.12744	4.1
213.16418	4.0
215.10875	1.3
215.14302	18.0
215.17995	3.9
216.14763	1.2
217.12225	2.2
217.15952	3.6
217.19487	8.6
219.13802	2.2
221.13382	1.6
223.13033	2.0
223.15085	5.5
225.12839	1.4
225.16371	9.1
227.14320	3.1
227.17972	5.7
229.12296	1.3
229.15942	2.7
229.19565	1.5
231.13919	1.4
231.17517	1.9
233.15471	1.3
235.13176	1.8
237.16508	4.4
238.07771	1.4
239.17963	4.5
241.15918	6.0
241.19624	1.5
243.13937	3.4
243.17464	10.3
245.11740	1.1
245.15302	1.6
249.14973	1.2
251.18019	3.4
253.16122	1.3
253.19585	2.9
255.17497	2.6
257.19058	3.5
259.09738	1.9
259.17004	1.2
259.20639	1.4
261.14737	7.5
263.16412	1.4
265.19614	1.3
269.19043	5.5
271.17004	4.7
271.20447	1.2
273.18469	1.2
283.16873	2.0
283.20343	1.3
285.18582	3.3
287.16541	1.5
289.17990	5.0
301.18005	1.7
311.20071	1.4
315.19629	2.7
319.23978	1.2
332.24759	1.3
333.25958	4.5
337.21671	1.3
358.35803	1.1
375.30521	7.5
378.25580	2.8
383.25830	1.3
393.31598	14.5
394.31671	1.6
403.30112	1.4
421.31064	20.9
439.22940	10.3
439.27292	6.6
439.32199	44.6
440.22980	1.7
440.32507	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	439.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.9
55.05510	19.4
57.07071	6.9
61.14582	1.3
65.03915	3.4
67.05177	2.5
67.05505	32.3
69.07068	25.7
71.04958	2.0
79.05491	19.4
81.07055	74.1
82.07374	2.1
83.08613	14.6
85.06549	12.1
91.05471	22.0
93.07041	44.9
95.04959	3.5
95.08604	100.0
96.08904	3.1
97.06515	2.5
97.10168	10.5
103.05425	2.1
105.07031	45.2
106.07334	2.2
107.04890	1.2
107.08592	77.2
108.08903	1.3
109.06522	7.9
109.10157	44.3
110.10473	2.1
111.08047	1.9
111.11687	1.9
111.16207	1.2
111.36239	1.1
113.16978	1.4
115.05413	1.3
117.07060	7.4
119.07787	2.5
119.08580	48.9
120.08874	1.7
121.06519	10.1
121.10143	54.9
122.10417	1.5
123.08064	6.9
123.10896	1.9
123.11706	23.6
125.09579	2.5
128.06169	1.5
129.06947	5.3
131.08559	19.6
132.16853	1.5
133.06490	2.6
133.09213	2.0
133.10129	35.0
134.10432	2.3
135.08034	2.7
135.11691	54.8
136.12006	2.0
137.09602	2.8
137.13249	37.7
142.07721	2.7
143.08559	12.2
145.10112	23.2
147.08003	2.7
147.10585	2.1
147.11682	29.8
149.05919	2.1
149.09612	20.0
149.12154	2.7
149.13249	45.0
150.13583	1.7
151.11273	1.6
151.14746	5.1
153.09042	3.7
155.08496	4.6
156.09283	2.6
157.10120	14.1
159.11688	19.0
160.12274	1.3
161.12085	1.8
161.13258	23.5
162.13542	1.6
163.11145	2.3
163.14796	10.4
166.07706	1.2
168.09265	1.5
169.10110	8.4
170.10812	1.2
171.11699	17.7
172.12277	2.0
173.09555	1.7
173.12074	1.2
173.13275	13.3
174.13765	1.8
175.11095	3.5
175.14819	11.4
177.12675	4.5
177.16382	27.0
181.10121	2.9
183.11681	8.4
185.09622	1.6
185.13275	18.5
187.11095	3.5
187.13576	1.2
187.14836	13.7
189.11259	1.3
189.12752	8.8
189.16385	20.4
191.17946	15.3
193.09943	2.3
195.11584	3.1
197.13269	6.7
199.11096	2.6
199.14793	9.2
201.12637	4.7
201.16389	10.9
203.10551	2.4
203.14388	6.1
203.17949	32.0
204.18233	1.8
205.12254	2.9
205.15874	5.9
205.19460	4.0
207.11656	1.6
207.17232	2.0
209.13214	2.9
211.14722	3.6
213.12651	5.0
213.16411	6.8
215.14310	15.0
215.17819	7.3
217.12140	3.5
217.15807	4.2
217.19481	13.6
223.13077	3.9
223.14790	5.8
225.16481	9.6
227.14182	4.4
227.17850	4.2
229.11986	1.5
229.15767	3.6
229.19373	1.4
231.13799	2.7
231.17354	1.7
231.85892	1.3
235.13225	3.1
237.16220	2.7
239.17844	3.9
241.15784	5.2
241.19510	2.7
243.13646	4.2
243.17378	10.4
245.18799	1.8
247.16840	1.3
249.18472	1.5
249.24054	1.5
251.17865	3.3
253.19423	2.3
255.17404	3.0
257.18967	3.7
261.14755	6.4
265.19434	1.6
267.20819	1.7
269.18893	5.1
269.21667	1.2
271.16879	5.4
271.19629	1.3
283.16809	2.1
285.18472	2.5
289.17896	3.6
299.19885	1.7
301.18008	1.6
315.19305	2.0
315.26654	1.8
319.23755	1.6
333.25583	2.7
337.24969	1.3
343.29907	1.4
351.26471	1.8
351.47385	1.3
375.30594	7.2
385.26849	2.1
393.31442	13.0
403.28720	2.7
421.30795	16.6
422.30853	1.9
439.31732	43.7
440.32083	4.4
445.30432	1.3
461.07724	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04971	0.6
53.03947	2.6
55.05259	1.1
55.05509	15.4
55.86781	0.8
57.03442	0.9
57.07074	10.4
65.03938	2.2
67.05504	27.5
68.05828	0.7
68.65259	0.7
69.03441	1.1
69.07068	23.3
69.07445	1.2
70.07401	0.9
71.04984	2.0
71.08618	2.1
73.72507	0.7
77.03932	0.7
79.05492	21.4
81.07054	64.5
82.07378	1.2
83.04971	1.5
83.08614	11.2
85.06538	10.5
91.05472	21.9
92.05785	1.0
93.07042	46.3
94.07398	1.0
95.04966	3.3
95.08603	100.0
96.08936	2.2
97.06529	2.1
97.10175	6.3
99.08070	0.8
103.05449	1.2
105.04524	1.2
105.07026	39.5
106.07369	1.5
107.04947	0.9
107.08590	57.4
108.08924	1.8
109.06513	2.1
109.10152	34.7
110.10532	1.1
111.08064	1.8
111.11686	1.5
115.05459	1.1
117.07008	6.8
119.08576	37.6
120.08904	0.9
121.06500	1.5
121.10143	42.9
122.10440	1.5
123.08061	2.8
123.11703	19.4
125.06026	0.9
125.09624	1.6
128.06219	1.3
129.06985	5.0
130.07800	1.0
131.08556	16.5
133.06575	0.8
133.10123	31.4
134.10460	1.4
135.04533	0.8
135.08064	2.2
135.11690	44.3
136.12000	1.7
137.09660	1.6
137.13249	39.2
138.13564	1.5
139.07516	0.9
141.06966	1.8
142.07788	2.8
143.08553	10.3
144.09053	0.8
145.06511	1.1
145.10115	18.8
145.11218	1.2
147.08037	2.3
147.11673	25.4
148.12105	1.2
149.09637	3.7
149.13249	41.8
150.13588	2.0
151.07487	1.9
151.11230	0.8
151.14815	5.9
153.09097	1.1
155.08568	5.6
156.09346	2.6
157.10123	14.5
158.10719	1.2
159.08157	1.5
159.11688	17.5
159.12955	1.1
161.09654	3.1
161.13257	20.6
161.14540	1.5
163.07610	0.9
163.11240	2.2
163.14819	8.4
165.12811	1.0
167.08614	1.1
167.10663	1.2
168.09343	1.8
169.10110	8.3
170.10854	1.5
171.11681	16.5
172.12154	1.7
173.09663	2.9
173.13251	12.5
175.07632	0.8
175.11214	3.2
175.14798	7.2
176.15143	0.8
177.12799	3.3
177.16386	26.2
178.16713	1.3
181.10147	3.0
183.11667	8.2
184.12418	1.3
185.09634	1.3
185.13258	16.2
186.13814	1.4
187.11168	2.9
187.14804	12.3
189.12770	7.1
189.16400	14.9
191.14354	2.1
191.17952	12.9
193.12251	1.3
193.19597	0.8
194.10966	1.2
195.11723	2.9
197.13284	7.7
199.11203	1.8
199.14799	13.1
201.12761	5.4
201.16386	9.8
201.18152	1.0
203.10648	1.2
203.14366	4.2
203.17941	25.5
204.18434	1.0
205.12263	2.7
205.15907	2.9
205.19576	3.3
207.11874	0.9
207.13690	0.8
207.17413	1.0
209.13222	3.9
211.11356	0.7
211.14847	4.6
213.12779	3.9
213.16348	4.4
215.14305	17.2
215.17754	4.7
217.12296	2.1
217.15926	2.9
217.19527	9.7
217.28604	0.9
219.13832	1.7
221.13383	1.1
223.13179	2.4
223.15077	4.6
223.16751	1.2
225.16359	9.3
227.14346	2.7
227.17923	4.0
229.12277	1.6
229.15936	2.1
229.19554	0.9
231.13808	1.8
231.17461	1.6
233.15572	0.9
235.13278	2.4
237.16388	3.7
239.17958	5.0
241.15919	4.8
241.19489	1.5
243.13828	3.8
243.17491	10.2
243.21141	0.9
245.15350	1.3
251.17970	2.0
253.19591	2.1
255.17407	4.1
257.15576	0.7
257.19009	3.2
259.13324	0.8
261.14801	5.9
266.20108	0.8
267.21091	1.6
269.16028	1.3
269.19095	5.2
271.16925	5.0
271.20801	0.8
273.18671	1.3
275.16403	1.4
277.19571	1.3
279.21039	1.0
283.17035	1.9
283.20264	0.8
285.18530	2.0
289.17929	5.0
291.21152	1.5
292.21454	0.7
296.81610	0.8
297.18503	1.7
299.20184	1.5
301.18103	2.0
303.19714	1.1
305.22803	1.4
315.19653	4.0
329.20963	1.1
333.25790	2.8
337.21448	1.1
337.25229	1.2
375.30408	4.7
376.31195	0.8
378.25452	1.9
393.31534	10.3
394.32147	1.0
403.29657	1.6
421.30902	19.1
422.31281	2.2
429.19180	0.8
439.32126	47.8
440.32355	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	439.3207
Annotation	Salacenonal
Peak:m/z	Relative Intensity
55.05516	13.8
55.92172	1.2
57.07071	7.6
60.16224	1.2
65.79580	1.4
67.05506	24.4
67.06458	1.2
69.07069	24.3
69.99379	2.9
69.99783	3.3
73.40676	1.5
77.40832	1.4
79.05486	15.6
81.07058	63.6
82.07359	1.4
83.08614	9.6
85.06559	11.2
91.05476	17.3
93.07047	42.7
95.04966	2.8
95.08606	100.0
96.08951	3.7
97.10174	6.4
105.07031	36.2
106.07411	1.8
107.08593	54.7
109.06503	3.5
109.10149	32.1
117.07008	6.5
119.08589	35.8
120.08950	1.5
121.10152	39.2
122.10497	1.6
123.11708	20.0
128.06219	2.2
129.07024	4.6
131.08582	14.8
133.10118	28.8
135.11694	47.1
136.12044	1.7
137.13251	40.6
138.13567	2.5
141.07048	2.2
142.07750	1.6
143.08572	9.7
144.55199	1.6
145.10114	18.7
147.11681	25.5
149.09625	3.1
149.13255	45.6
150.13576	2.1
151.14853	5.9
155.08582	4.8
157.10149	12.9
159.11707	15.5
160.12540	1.9
161.13261	18.1
163.11159	2.7
163.14827	6.2
169.10118	7.3
170.10835	2.0
171.08000	1.3
171.11679	13.7
172.12308	1.6
173.09612	1.4
173.13255	13.6
175.11203	3.8
175.14748	7.6
177.12744	3.9
177.16397	28.5
179.14320	1.9
181.10039	2.3
182.10748	1.9
183.11705	6.6
185.13257	16.4
187.11203	3.0
187.14803	9.3
189.12714	7.3
189.16356	17.6
190.16667	1.6
191.10535	1.6
191.17957	12.4
192.18330	1.6
195.11728	3.3
197.13213	9.0
199.11351	2.0
199.14777	9.6
201.12737	4.3
201.16347	9.8
203.14336	4.2
203.17963	26.0
204.18254	2.4
205.12306	3.7
205.15839	2.4
205.19623	2.5
209.13318	2.0
211.14893	4.8
213.12720	5.0
213.16309	2.5
215.14311	18.2
215.17961	5.1
217.12363	2.3
217.15903	2.5
217.19562	10.2
219.13763	1.9
223.13069	2.4
223.14911	4.6
225.16440	8.7
227.14296	3.2
227.18002	3.8
229.15785	2.2
231.13960	2.2
235.13216	2.4
237.16428	3.4
239.17891	3.4
241.15912	4.5
241.19563	2.3
243.13692	3.6
243.17461	11.1
245.15340	2.2
251.17950	3.5
253.19537	3.8
255.17401	2.2
257.19012	3.3
261.14871	8.5
265.19534	2.5
269.19049	5.5
270.61304	1.5
271.16946	4.7
277.19418	1.9
287.16434	1.6
289.15167	1.5
289.17850	6.6
297.18427	1.7
315.19577	3.9
333.25793	4.2
375.30450	6.1
378.25586	3.4
393.27106	2.0
393.31815	11.8
394.32208	2.2
421.30933	16.8
422.31271	3.2
439.32172	44.8
440.32150	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	439.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27932	1.2
53.03941	1.7
55.05503	12.6
57.07071	4.5
62.50843	1.1
65.03934	2.9
67.05502	23.0
69.07069	22.6
71.04987	1.7
72.62790	1.3
79.05487	16.7
81.07052	48.4
82.07366	1.4
83.04977	2.0
83.08620	6.1
85.06551	6.1
91.05476	27.2
93.07040	39.4
95.04948	1.9
95.08602	74.0
96.08934	2.0
96.09593	1.4
97.10173	4.8
103.21707	1.2
105.07026	36.6
107.08590	55.8
108.08920	3.2
109.10152	37.5
111.11758	2.0
115.05443	1.8
116.98936	1.2
117.06989	9.4
119.08575	49.3
121.09270	2.9
121.10136	43.0
122.10468	1.8
123.08102	1.8
123.11713	14.5
129.06982	6.0
131.08553	19.5
133.10130	44.1
134.10497	1.5
135.11694	38.9
137.09677	1.5
137.13242	12.0
141.07005	2.1
142.07727	2.9
143.08563	18.0
145.10110	26.1
147.11673	33.2
147.12865	1.6
149.09599	1.9
149.13237	25.2
149.14302	2.0
151.11168	1.8
151.14830	2.3
153.12816	1.3
155.08525	5.2
156.09204	1.2
157.10129	20.1
158.10605	1.5
159.11687	20.3
160.12465	1.3
161.09656	1.9
161.13251	20.1
163.11166	3.6
163.14822	23.9
165.16377	2.0
167.08563	1.6
169.10101	6.6
171.11682	19.2
173.13243	15.7
175.11226	3.1
175.14807	25.3
177.12698	4.7
177.16379	19.6
178.16724	1.8
179.10664	1.6
181.10144	3.9
182.10844	2.2
183.11687	9.3
184.12437	1.4
185.13243	57.5
186.13718	3.0
187.14824	16.6
189.12746	3.0
189.16383	42.1
190.16785	2.7
191.14267	1.9
191.17940	32.4
192.18253	1.8
195.11708	5.7
197.13226	8.3
199.14810	19.3
201.12752	2.2
201.16385	10.8
203.14352	14.0
203.17955	39.5
204.14662	1.7
204.18401	1.7
205.12221	2.3
205.16023	1.8
205.19443	1.2
209.11606	1.7
209.13309	4.3
211.14827	8.1
213.12837	1.9
213.16403	10.7
215.14342	5.1
215.17943	2.5
217.15874	3.5
217.19473	8.6
219.13788	1.4
223.14944	2.8
225.16347	6.3
227.14368	3.2
227.17937	5.3
229.12247	1.8
229.15868	5.3
229.19516	2.6
231.13841	4.4
231.17439	5.1
231.21034	2.8
237.16406	5.5
239.17923	6.3
241.15901	4.1
241.19676	3.1
243.13831	2.5
245.15311	2.9
249.14824	2.8
251.17899	3.6
253.19513	3.9
255.17415	2.6
255.21155	1.6
257.15436	4.0
259.16946	4.2
261.14960	3.7
265.19592	3.0
269.15326	4.4
269.19287	1.7
271.16931	2.9
273.15042	1.3
275.16293	6.6
277.17773	2.8
279.21143	2.3
283.16885	2.1
283.20584	1.5
285.18594	4.3
287.16360	3.6
289.17899	2.3
297.18448	2.7
301.18091	4.7
303.19525	1.6
311.19995	4.4
314.57590	1.3
315.19595	4.3
325.21594	2.2
343.22711	2.4
351.23123	1.7
365.24588	1.7
369.24463	1.7
371.16632	3.4
375.30536	12.4
376.31064	1.9
393.31601	16.3
394.31744	2.3
394.88876	1.3
403.30038	3.6
421.30966	26.6
422.31354	3.3
439.22961	55.0
439.32022	100.0
440.23138	5.6
440.32553	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	439.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.9
55.01871	6.2
55.05509	53.2
57.03432	3.1
57.07061	4.7
59.04988	1.4
65.03931	3.0
67.05499	78.8
68.05822	1.2
69.03429	4.1
69.07063	36.7
69.23721	3.4
69.24146	3.3
71.04992	7.6
71.08624	1.1
73.06578	1.1
77.62669	0.9
78.91968	0.7
79.05487	49.0
80.05824	0.8
81.07051	100.0
82.07357	1.5
82.34963	0.7
83.04983	8.1
83.08615	22.8
85.06543	6.5
87.04459	1.0
91.05468	24.5
93.07038	44.9
94.07358	1.2
95.04967	4.8
95.08599	78.1
96.08917	2.4
97.06535	8.9
97.10166	40.1
98.10491	0.8
99.08064	3.8
101.06052	1.3
105.07027	25.8
106.07378	0.9
107.04948	1.7
107.08585	42.4
108.08923	0.9
109.06510	2.6
109.10149	42.3
110.10490	1.7
110.76801	0.8
111.08070	5.1
111.11707	1.9
113.09629	1.7
117.07030	7.2
119.06106	0.8
119.08575	25.7
120.08862	1.3
121.06508	2.0
121.10143	29.6
122.10448	0.9
123.08068	6.0
123.11701	15.5
124.12101	0.9
125.09618	42.3
126.09914	1.3
127.07514	1.0
127.11174	1.2
128.06160	1.1
129.07001	2.3
131.08553	16.7
131.09540	0.9
133.10120	21.1
134.10426	2.0
135.08035	3.2
135.11682	27.3
136.12010	1.1
137.05899	0.9
137.09573	3.7
137.13228	9.6
139.07568	1.0
139.11157	3.5
142.07800	1.6
143.08556	5.2
143.10655	10.5
145.10129	20.6
147.08040	1.6
147.11659	18.5
148.11946	1.3
149.09619	4.2
149.13237	14.9
151.07503	1.1
151.11166	3.8
151.14841	2.7
153.09134	1.2
153.12743	1.8
155.08528	1.2
157.10121	4.5
158.10869	0.9
159.08006	1.8
159.11685	13.6
161.09590	3.2
161.13240	14.0
163.11188	3.2
163.14833	6.8
165.09087	1.5
165.12753	4.7
167.10594	1.1
167.14285	1.0
169.10062	1.9
171.11688	6.6
173.09595	1.1
173.13228	10.8
174.13629	1.4
175.11206	2.7
175.14842	5.6
177.12749	3.6
177.16376	3.6
179.14323	3.4
181.10123	1.1
181.12221	1.6
183.10187	1.9
183.11656	2.0
185.13254	4.1
187.14769	8.2
188.15053	1.0
189.11224	2.0
189.12770	1.9
189.16377	9.3
191.14192	1.2
191.17989	1.8
195.11839	1.3
195.13843	1.4
197.13263	2.0
199.11169	1.5
199.14807	3.0
201.12752	2.6
201.16364	4.8
203.14351	2.5
203.17950	3.0
205.15852	3.3
207.17453	11.2
209.13335	1.0
209.15327	2.3
211.14801	2.0
213.12697	1.4
213.16359	2.6
215.17944	3.6
217.10257	1.6
217.12228	18.6
217.15765	1.5
217.19417	1.1
219.13803	1.2
219.17415	1.0
219.21132	1.0
223.16956	2.2
227.17784	1.5
229.15825	1.7
229.19502	1.4
231.13766	0.9
233.18987	1.0
237.18530	1.0
241.19479	3.0
243.21007	7.8
249.18402	1.0
253.19418	1.3
259.20569	1.9
261.22110	25.0
262.22650	2.0
275.20135	1.1
277.21814	0.9
279.23172	61.7
280.23517	5.3
293.20993	1.2
297.24277	10.4
328.33676	0.9
357.31424	1.2
367.30029	1.9
385.26569	1.3
385.31030	12.1
386.31247	1.9
393.27502	1.3
403.32156	18.9
404.32288	2.0
421.33240	15.0
439.31213	15.9
440.31863	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	439.3569
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
51.57233	1.6
53.03956	2.3
53.77960	1.6
55.05507	16.7
55.05747	2.5
57.07076	5.4
59.04999	3.3
67.05500	32.9
69.07061	27.1
69.19996	8.8
69.20425	6.6
71.08628	2.0
72.09435	1.9
79.05491	20.8
81.07051	67.6
83.04989	2.2
83.08617	12.4
85.06551	10.4
89.06039	6.3
91.05470	20.3
93.07039	43.8
94.07427	1.6
94.41395	2.1
95.04984	2.7
95.08597	100.0
96.08957	2.8
97.06520	3.6
97.10176	4.7
99.08092	2.7
102.31467	2.0
104.35095	1.7
105.07019	46.1
107.08580	61.2
108.08967	3.2
109.06490	3.2
109.10146	63.4
110.10520	2.0
111.08094	4.8
111.11729	1.8
117.07029	6.7
119.08571	64.8
119.09376	3.3
120.08987	2.6
121.10133	60.2
123.08102	4.1
123.11701	22.2
125.09647	6.4
129.07079	3.1
131.08543	17.8
133.10112	45.5
135.08133	5.3
135.11678	37.5
136.12019	1.9
137.09641	4.1
137.13234	11.4
143.08611	6.1
144.09352	2.5
145.10126	33.0
145.11212	3.2
147.11687	32.3
148.12056	2.3
149.09680	5.1
149.13237	21.8
151.11215	4.1
157.10129	8.6
158.10838	2.0
159.11665	28.7
160.12257	1.7
161.13254	33.1
163.11235	7.4
163.14819	19.4
165.12785	4.7
169.10150	2.7
171.11739	7.1
173.13274	20.2
175.14813	24.5
177.12805	6.4
177.16383	16.1
179.14304	4.3
183.11673	3.4
185.13310	6.4
187.14830	17.2
189.12762	2.2
189.16380	33.5
189.17986	2.7
190.16756	2.6
191.14299	8.8
191.17950	20.3
193.15935	4.5
199.14899	5.7
201.16385	22.5
203.14417	3.4
203.17929	21.9
204.18359	2.1
205.15852	14.4
205.19560	6.0
207.17499	5.8
211.14923	1.9
213.16418	6.4
215.17931	21.3
216.18275	2.7
217.19548	8.5
219.17433	11.9
221.19078	3.7
227.18056	5.2
229.19569	4.6
231.17526	3.5
231.21153	2.2
233.18936	16.1
241.19577	2.8
243.21094	3.2
245.19063	5.8
247.16846	2.2
247.20723	2.0
249.18773	2.1
253.19650	1.8
259.20795	1.8
273.22229	2.0
277.38556	1.8
295.46344	2.1
343.26645	3.9
381.31693	2.2
391.88101	1.8
393.35245	6.5
403.33908	2.5
411.36578	3.9
421.34662	26.8
422.35031	5.4
439.35886	68.8
440.36237	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	439.3572
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
53.03916	0.6
55.01852	0.5
55.05513	4.3
57.03423	0.4
57.07035	1.1
59.04983	0.7
65.03914	1.4
67.05505	24.2
69.03394	0.9
69.07072	8.0
71.04961	1.1
71.08611	0.3
71.33691	0.4
71.34100	0.3
75.38398	0.3
76.79958	0.3
77.03901	0.3
79.05497	5.6
79.19763	0.3
81.07057	17.0
81.07542	0.8
81.89178	0.3
82.07366	0.6
83.04982	2.0
83.08610	3.2
85.06521	1.1
91.05479	4.9
93.07044	10.7
95.04967	1.9
95.08605	18.0
96.08932	0.9
97.06548	1.7
97.10160	1.4
99.08096	1.0
105.07034	11.6
106.07352	0.4
107.08591	17.7
108.08884	0.5
109.06532	2.2
109.10156	100.0
110.10493	3.0
111.08085	2.3
111.11733	0.7
117.07013	1.6
119.08580	18.6
120.08920	0.5
121.06520	0.9
121.10143	11.4
122.10470	0.5
123.08069	2.4
123.11707	5.1
125.06032	0.4
125.09624	1.8
127.07568	0.4
127.11189	0.7
128.06172	0.6
129.07047	1.1
131.08566	4.9
133.10133	11.1
133.11136	0.7
134.10466	0.5
135.08054	3.3
135.11687	7.8
136.12059	0.5
137.09648	2.3
137.13240	1.5
139.07550	0.4
139.11217	0.7
141.06981	0.3
142.07838	0.6
143.08546	2.3
143.47327	0.3
144.09308	0.6
145.06564	0.6
145.10127	8.3
146.10620	0.5
147.08092	0.9
147.11690	11.9
148.12038	0.7
149.09583	2.1
149.13271	4.0
150.13664	0.4
150.57339	0.3
151.07538	0.3
151.11182	2.3
153.09076	0.4
153.12892	0.4
155.08627	1.0
156.09389	0.8
157.10117	3.9
158.10812	0.5
159.08087	0.4
159.11705	8.7
160.12248	0.6
161.09683	1.2
161.13264	6.1
162.13596	0.4
163.11171	2.5
163.12497	0.4
163.14865	3.1
165.12767	3.1
169.10049	1.6
170.11000	0.6
171.11702	4.4
172.12459	0.5
172.14136	0.3
173.09659	1.0
173.13248	6.2
175.11317	1.4
175.14809	4.6
176.15283	0.4
177.12773	1.7
177.16348	1.9
179.14320	0.5
181.10141	0.7
183.08145	0.3
183.11713	1.8
185.09737	0.4
185.13255	3.2
187.11275	0.8
187.14818	5.8
188.15434	0.4
189.09209	0.3
189.12848	1.2
189.16382	4.2
189.17915	0.3
189.51096	0.3
191.14404	1.1
191.17946	2.4
193.10329	0.4
193.12320	0.8
193.15985	0.8
195.11780	0.7
197.13326	1.1
199.11299	1.0
199.14793	2.2
200.15262	0.4
201.12859	1.0
201.16383	6.6
202.16792	0.5
203.14461	1.4
203.17969	4.3
203.19479	0.3
205.15799	2.6
206.16336	0.4
207.17592	1.2
209.13335	0.7
210.13986	0.3
211.14757	1.8
213.12898	0.7
213.16386	2.5
215.10869	0.4
215.14574	0.7
215.17929	5.5
217.12355	1.6
217.15869	1.9
217.19672	0.7
218.12688	0.8
219.13524	0.4
219.17584	1.4
221.15535	0.4
221.19128	0.3
221.66142	0.3
222.91867	0.3
223.15063	0.5
225.16504	1.0
227.14467	0.5
227.17947	1.7
229.12479	0.4
229.16031	0.7
229.19461	1.5
231.13940	0.4
231.17450	1.6
231.21114	0.3
233.15431	0.6
233.18930	1.5
239.18108	0.7
241.19705	1.1
243.17572	0.6
243.21193	0.8
245.19162	0.5
247.20711	0.5
249.18733	1.0
251.18205	0.9
253.19818	1.0
255.21286	0.6
257.19345	0.3
257.22906	0.6
259.20837	0.4
267.21201	0.5
269.22778	1.8
273.22305	0.6
279.21216	0.7
281.22778	0.6
283.24469	0.4
285.22162	0.6
293.22900	0.5
295.24536	0.4
297.22391	0.4
311.23975	0.5
313.22147	0.4
313.25604	0.9
361.28986	0.4
371.29929	0.5
375.30823	0.6
383.29663	0.4
393.31619	4.0
403.29871	0.6
403.34491	0.6
421.35196	10.1
422.35730	1.2
439.36423	34.8
440.36615	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	439.357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
55.05509	8.8
55.19758	0.8
57.07074	9.6
60.34534	0.9
62.68294	0.8
63.85440	1.0
65.03905	1.0
67.05502	21.1
69.07062	17.8
69.24370	2.1
69.24780	4.8
71.08618	2.0
79.05482	11.2
81.07053	75.3
82.07391	1.7
82.41164	0.8
83.08615	9.0
89.06031	2.8
91.05474	7.0
93.07040	13.2
95.08601	100.0
96.08936	2.6
97.10163	5.0
105.07021	14.3
107.07906	1.5
107.08593	20.3
108.02200	0.9
109.10152	36.8
110.10509	1.4
111.11684	1.8
117.07021	3.0
119.08575	16.0
121.10138	15.2
123.11699	28.6
124.12100	1.5
131.08582	7.2
133.08615	1.4
133.10118	13.8
135.11694	11.6
137.13246	45.9
138.13589	1.8
143.08557	3.5
145.10135	10.2
147.11688	11.3
149.13258	7.5
151.14842	2.4
153.09105	1.7
157.10098	5.3
159.11653	7.7
161.13258	6.1
163.11227	1.2
163.14807	3.7
165.09096	1.0
167.10660	1.6
171.11687	8.4
173.13246	7.3
175.14828	8.3
177.16360	3.0
179.17928	6.2
185.13240	6.0
187.14836	6.7
189.16379	12.2
191.17964	10.5
193.19543	1.0
199.14832	8.3
201.16370	7.7
203.17960	21.4
204.18320	1.6
205.19505	3.3
213.16342	10.6
215.17937	9.0
217.12416	1.1
217.19510	1.9
219.13673	1.1
227.17947	2.0
229.19446	1.6
240.15216	1.0
241.19475	7.5
243.20956	4.2
245.15326	2.1
249.18433	2.9
255.21071	3.9
257.22632	0.9
258.63049	1.0
259.17007	5.5
269.22641	2.9
287.20132	1.3
301.21658	1.0
393.35138	13.4
394.35651	1.1
439.35764	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	439.3566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.6
55.05502	15.4
57.07072	7.6
63.66776	1.3
67.05502	19.9
69.07061	22.6
70.49337	2.7
70.49725	2.9
71.08598	1.5
79.05487	13.3
81.07053	55.6
83.08615	9.9
91.05479	9.6
93.07040	23.8
95.08599	79.4
96.08911	2.1
97.10175	4.7
105.07033	27.6
107.08587	40.8
109.09402	2.6
109.10149	44.7
111.11710	2.7
113.72692	1.3
117.07008	1.6
119.08574	50.7
120.08857	1.5
121.09259	1.9
121.10131	30.8
123.11692	29.5
125.05954	1.4
126.80861	1.2
129.06973	1.6
131.08557	5.5
133.10121	37.2
134.10388	2.2
135.08054	1.4
135.11670	21.6
137.13229	24.5
139.07622	1.3
145.10185	9.7
145.69096	1.3
147.11665	33.1
149.13249	19.1
151.14728	1.9
153.09087	5.7
157.10115	3.3
159.11676	7.1
161.13242	19.5
163.14824	7.3
167.10625	2.7
171.11650	3.1
173.13324	8.3
175.14798	13.5
177.16365	8.4
179.10728	1.7
179.18008	6.6
185.13301	1.9
187.14781	7.5
189.16373	48.4
190.16762	2.8
191.17931	66.7
192.18324	4.1
199.14816	3.9
201.16360	15.1
203.17932	100.0
204.18311	4.2
205.15826	1.6
205.19522	21.6
207.17479	1.7
213.16371	5.0
215.17941	13.8
217.19514	14.1
221.15509	2.2
221.19044	5.7
231.17412	2.4
231.21100	2.7
235.16895	3.8
241.19507	4.4
243.21106	3.6
245.15411	1.5
245.22656	6.2
247.16910	5.5
249.18471	15.4
255.21112	3.3
257.22614	2.8
259.16946	4.4
261.18457	8.4
269.22684	2.7
289.21689	1.5
315.23297	1.6
393.35159	10.2
439.35812	32.8
440.35944	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	439.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95883	1.2
55.05500	8.7
57.07066	3.2
58.48500	1.3
62.83438	1.7
64.67758	1.2
67.05499	11.9
69.07064	15.4
79.05474	9.4
80.07349	1.3
81.07053	30.1
83.08615	8.1
91.05476	10.2
93.05626	1.2
93.07038	27.0
95.08599	53.8
95.09201	2.6
97.10175	4.0
98.22597	3.2
105.07018	25.5
107.08585	39.4
109.10152	32.3
111.08134	1.5
111.11742	2.1
117.07046	1.7
119.08574	43.6
121.10138	35.9
123.11697	15.9
131.08563	4.9
133.10110	38.7
135.11685	27.2
137.13216	9.5
139.07530	2.2
145.10103	9.1
145.48953	1.5
147.11684	36.9
149.13268	18.6
153.09076	5.8
157.10149	1.4
159.11610	7.5
161.13251	20.9
163.14804	9.5
165.09142	1.7
167.10669	4.1
171.11673	1.7
173.13257	4.6
175.14799	13.2
177.16374	5.7
179.10622	2.7
185.13272	2.6
187.14830	5.2
189.16370	45.7
190.16754	1.5
191.17928	65.8
192.18402	1.5
193.12230	1.6
199.14943	2.2
200.64890	1.2
201.16354	12.9
203.17941	100.0
204.18274	5.5
205.19482	14.1
213.16348	2.4
215.17912	7.3
217.19514	12.2
221.19038	2.7
229.19618	2.2
231.17416	3.6
231.21062	1.4
235.16882	2.7
241.19458	2.9
243.21013	2.5
245.22667	2.6
247.16959	5.1
249.18443	14.4
254.45038	1.3
255.21254	2.0
257.22562	2.7
261.18423	2.8
289.21692	1.8
301.21457	1.9
315.23215	2.0
393.35059	5.6
421.34656	3.1
439.35693	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	439.357
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
52.66241	6.8
55.05512	26.2
57.07073	19.7
61.32541	8.6
67.05508	36.1
68.50478	7.3
69.07069	33.2
78.98153	6.4
79.05514	40.8
81.07054	100.0
83.08615	18.8
85.05367	6.9
89.06037	11.3
91.05475	34.8
93.07047	80.9
95.04986	14.4
95.08596	85.5
97.06485	7.5
97.10198	7.5
102.76546	6.8
105.07033	70.7
107.08584	78.4
109.06507	8.9
109.10170	69.9
119.08588	71.3
121.10149	62.6
123.11662	35.4
131.08562	29.6
133.08614	12.9
133.10110	54.4
135.08064	11.9
135.11699	48.6
137.13283	11.3
145.10130	25.2
147.11723	43.1
149.13264	65.1
151.11134	9.6
157.10158	19.9
159.11674	44.3
161.13245	20.8
163.11250	11.2
163.14850	8.6
165.12756	11.9
171.11655	13.9
173.13278	32.4
175.14890	28.7
185.13255	16.0
187.14821	21.0
189.16360	11.8
191.17998	10.5
199.14751	13.4
201.16434	12.6
203.17967	21.5
205.15965	8.9
213.16418	19.4
215.17955	11.7
227.17911	11.8
245.19043	8.3
421.34506	44.4
439.35675	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	439.357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.4
55.01881	3.4
55.05512	25.6
57.07073	6.5
59.05006	3.3
65.03934	3.9
67.05505	48.6
69.03450	3.3
69.07065	39.7
70.38106	3.1
70.38425	4.6
71.04991	4.6
71.08624	3.9
79.05493	37.8
80.50830	2.1
81.07054	80.4
83.04986	10.9
83.08613	17.2
84.29845	2.6
85.06541	8.3
91.05470	41.5
93.07043	70.8
95.04986	6.1
95.08604	92.1
97.06541	10.8
97.10173	7.3
99.08115	4.1
105.07031	77.6
106.07357	4.2
107.08591	100.0
108.08891	3.1
109.06528	9.0
109.09412	3.9
109.10154	70.9
110.10484	3.3
111.08073	19.6
111.11742	4.2
115.05466	3.6
117.06998	15.4
119.08582	89.7
120.08957	3.6
121.06507	5.6
121.10146	75.3
123.08070	12.4
123.11694	27.5
125.09622	5.2
127.11147	2.3
129.07007	6.9
131.08549	36.7
133.10127	65.5
135.08035	13.3
135.11687	43.8
137.09647	7.9
137.13251	10.4
139.11227	5.0
141.07004	5.3
142.07831	4.5
143.08540	19.3
144.09248	3.5
145.10120	46.4
146.10577	3.0
147.08061	5.3
147.11687	46.1
149.09619	14.2
149.13258	31.0
151.11205	6.2
153.09132	3.9
153.87526	3.0
155.08557	7.4
156.09331	4.3
157.10144	32.0
158.10962	3.2
159.08098	4.5
159.11696	41.7
161.09650	11.8
161.13260	33.8
162.13629	3.7
163.11194	8.1
163.14787	23.6
165.12823	8.4
167.08633	3.4
167.10661	2.8
169.10121	13.8
170.10826	4.5
171.11722	21.1
173.09644	6.1
173.13240	34.3
175.11188	8.9
175.14839	26.0
177.12807	9.7
177.16342	15.8
179.14282	2.7
181.10104	5.7
183.11624	14.8
185.09607	3.3
185.13255	22.9
186.13838	2.5
187.11214	5.5
187.14798	29.3
189.12782	7.8
189.16389	28.0
191.14296	7.9
191.17984	21.6
193.10344	3.2
193.12184	6.2
193.16049	3.1
195.11697	8.6
197.13261	11.0
199.11047	3.5
199.14813	18.2
201.12799	8.3
201.16402	28.7
203.14267	15.0
203.17996	22.4
205.12302	3.7
205.15938	11.3
207.17500	4.2
209.13269	5.1
210.14011	3.0
211.14906	6.4
213.12837	3.8
213.16367	13.4
215.14371	7.6
215.18005	14.6
217.12331	6.2
217.15987	4.3
217.19479	5.8
219.13754	3.1
219.17390	8.1
223.14859	5.2
225.16478	6.9
227.14491	2.9
227.17917	10.5
229.19588	7.5
231.13913	3.8
231.17412	6.9
233.15479	4.6
233.19112	3.1
237.16464	5.4
239.18030	9.7
241.19585	7.7
243.17519	5.2
243.21112	4.9
245.19052	7.4
247.16942	3.6
249.18639	3.7
253.19553	6.8
255.17511	2.7
255.21021	5.1
257.18954	3.1
259.20398	4.5
265.19489	3.0
267.21268	4.0
269.22647	7.9
271.17007	5.6
271.24222	2.8
273.22260	2.6
277.21786	4.3
279.21100	3.5
281.22656	3.6
283.24152	3.5
285.18527	4.6
375.30255	5.3
393.31537	17.6
403.29303	6.1
403.33987	6.2
421.29706	14.4
421.35654	28.3
422.35269	4.5
439.31400	67.8
439.36310	24.4
440.36636	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	439.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22791	0.7
53.03945	1.0
55.05503	10.1
57.07071	11.4
65.03925	0.9
67.05502	21.5
68.05827	0.7
69.06693	1.4
69.07059	17.2
69.24719	5.7
71.04999	0.9
71.06988	0.7
71.08613	2.5
76.85673	0.7
79.05486	9.3
81.07053	76.5
82.07395	1.0
83.04956	0.8
83.08615	11.2
85.10188	1.3
91.05466	6.5
93.07036	11.7
95.08601	100.0
96.08935	2.4
97.06513	1.0
97.10152	5.5
98.22594	1.7
105.07020	12.7
107.08005	0.5
107.08585	19.6
109.10151	45.6
110.10480	1.6
111.08067	1.8
111.11716	2.3
117.07014	2.8
119.08579	13.6
121.10135	10.7
123.08051	1.7
123.11697	42.1
124.12076	1.5
125.13277	1.5
129.06976	1.6
131.08565	8.0
133.10127	10.9
135.08054	1.7
135.11688	10.7
137.09613	1.1
137.13246	61.7
138.13596	2.8
142.07837	1.0
143.08563	4.3
145.10139	12.4
147.11690	9.0
148.12068	0.8
149.09605	0.8
149.13257	10.6
151.14783	5.7
157.10095	5.3
158.10876	0.7
159.11641	7.4
161.13261	5.9
163.14764	3.6
165.09081	1.2
171.11700	8.7
173.13242	10.0
175.14803	7.3
177.16417	2.8
179.09412	0.9
179.10739	0.9
179.14322	0.7
179.17929	11.3
182.65463	0.7
183.11650	1.1
185.13237	6.3
187.14795	7.2
189.16389	8.8
191.17944	9.1
192.18155	0.8
193.15886	1.4
193.19502	1.4
199.14812	11.8
201.12679	1.0
201.16362	9.9
202.16644	1.0
203.17944	13.2
205.12210	1.1
205.15915	1.5
205.19519	4.0
207.17519	0.9
211.14891	1.1
213.16368	14.0
215.17966	11.2
217.12254	1.9
217.19560	2.5
219.13763	2.0
221.15398	1.0
225.16499	0.9
227.17931	4.5
229.19597	1.9
231.13817	1.4
231.17455	2.0
231.20993	1.2
233.15417	1.1
241.15742	1.1
241.19464	10.1
243.17339	0.8
243.21051	8.3
245.15358	3.0
245.22604	1.3
247.16997	1.7
249.18462	2.2
255.21094	6.9
257.22598	2.3
259.16934	11.1
261.18527	1.7
269.22604	6.3
271.24200	0.9
273.18445	2.3
287.20142	3.2
289.21793	1.1
297.25891	0.9
301.21609	1.9
315.23193	1.7
393.35260	24.3
394.35464	2.5
421.34784	1.8
439.36063	20.0
440.36206	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.6
54.72625	1.0
55.01867	2.4
55.05508	17.8
55.69974	1.2
57.07072	6.9
58.41777	1.0
61.53473	1.1
63.02385	1.1
65.03925	1.3
65.76292	1.2
67.05164	1.8
67.05502	25.0
69.06717	1.7
69.07068	24.7
69.23005	8.4
71.04979	1.7
71.08619	1.4
74.91230	1.0
75.77042	1.0
79.05497	18.2
79.93874	1.0
81.07056	55.6
83.04974	2.1
83.08627	13.8
85.06540	3.9
91.05475	21.5
93.07047	39.7
94.07384	1.2
95.04971	2.0
95.08605	82.1
96.08929	2.2
97.06529	2.8
97.10165	6.1
105.07033	40.9
106.07359	1.7
107.08591	56.2
108.08875	1.4
109.06528	2.9
109.10152	52.5
110.10490	1.7
111.04452	2.0
111.08052	2.4
111.11722	2.2
115.05416	1.1
117.07013	3.9
119.08579	65.2
121.06499	1.9
121.10141	49.7
123.08071	3.0
123.11701	25.7
125.05943	1.1
125.09634	2.7
129.07010	2.9
131.08569	13.5
133.07515	1.3
133.10126	50.5
134.10469	1.9
135.08069	2.7
135.11690	31.5
137.09607	1.6
137.13232	14.8
139.07526	1.9
139.11154	2.1
142.07727	1.4
143.08562	5.5
145.10109	18.3
147.08098	1.3
147.11681	45.2
148.11998	2.1
149.09604	2.2
149.13246	28.8
151.14893	1.2
153.09135	6.7
154.19218	1.0
155.05157	1.4
155.08498	1.7
157.10112	6.0
159.11720	13.2
160.12288	1.8
161.13249	29.4
163.14804	12.6
165.09079	1.4
165.12727	2.1
167.08510	1.3
167.10645	4.2
169.10089	2.3
171.11694	6.1
173.13234	10.7
175.14819	15.4
176.15091	1.5
177.12737	2.6
177.16379	10.4
179.10683	2.7
183.11574	2.4
183.18553	1.1
185.13255	6.2
187.14818	12.2
188.15295	1.3
189.12798	2.7
189.16386	55.6
190.16792	2.6
191.14333	1.8
191.17940	59.2
192.18333	3.4
193.12216	1.5
197.13268	2.6
199.14827	4.6
201.16397	19.6
203.17949	100.0
204.18262	5.9
205.19519	20.2
207.13734	1.7
207.17403	3.3
211.14836	2.0
213.16391	6.2
215.14388	1.2
215.17964	13.2
217.15897	3.6
217.19496	12.7
221.15237	1.5
221.18990	4.1
225.16365	1.9
227.17946	3.5
229.15851	1.4
229.19514	3.1
231.17447	1.9
231.21060	3.4
235.16876	4.4
239.17894	1.8
241.19482	4.0
243.21130	5.4
245.22679	3.9
247.16875	5.0
249.18553	10.8
255.21167	2.7
257.22583	2.6
261.18488	4.9
267.20880	1.3
269.18982	1.6
269.22540	3.6
273.18628	1.9
275.20071	1.6
287.20016	2.3
289.21497	2.2
301.21539	2.4
375.30408	1.3
393.35452	8.8
403.29605	2.2
421.30853	5.0
439.20062	3.7
439.30252	11.9
439.35675	22.0
440.36127	3.1
458.84622	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3568
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
55.05514	22.2
57.07080	14.9
67.05508	30.9
69.07075	49.3
70.06176	3.1
71.04990	6.4
71.08635	4.1
79.05511	17.2
81.07064	80.6
83.04997	3.6
83.08635	15.5
87.04468	5.0
89.06046	11.8
91.05482	15.8
91.51520	3.2
93.07048	40.9
95.08611	100.0
97.06541	4.3
97.10170	8.7
100.29697	3.4
105.07027	31.5
106.33181	2.9
107.08595	65.1
108.83714	3.2
109.06490	4.4
109.10164	58.9
111.08082	10.7
111.11723	7.2
117.07004	6.9
119.08601	55.3
121.06568	3.5
121.10143	69.6
121.88857	2.7
123.11718	25.4
131.08571	19.5
133.08618	4.3
133.10130	45.5
134.10367	3.2
135.08020	3.9
135.11690	27.6
137.09630	13.5
137.13266	18.2
139.11234	4.1
142.07835	4.1
143.08572	12.9
145.10139	28.8
147.07991	4.0
147.11690	29.9
149.09604	6.9
149.13280	19.6
155.08607	3.9
156.09355	5.0
157.10129	21.8
158.10886	3.2
159.11708	31.4
161.09644	9.1
161.13226	20.2
163.14825	10.7
165.12816	7.2
169.10147	5.1
170.10936	4.0
171.11708	13.2
173.13248	28.1
175.11200	5.4
175.14825	19.8
177.12706	7.2
177.16464	9.0
183.11700	8.9
184.12383	3.8
185.13275	12.9
187.14830	11.9
189.16447	17.3
191.17914	35.9
193.15930	7.5
197.13148	4.0
199.14850	10.7
201.16446	8.5
203.14371	12.9
203.17989	11.0
205.19618	5.8
210.14061	3.2
211.14911	7.8
213.16432	5.4
215.14546	3.9
215.17996	8.1
217.15941	6.4
217.19525	16.6
219.17517	11.4
221.15367	5.7
225.16435	6.9
227.17972	3.7
229.19653	6.1
231.17560	7.0
235.13330	6.9
235.16948	51.0
236.17259	4.3
237.14737	4.2
239.15083	5.1
243.21005	3.9
261.18451	6.9
269.22577	6.9
311.23819	4.3
311.27371	9.6
312.27625	3.4
344.93866	3.4
353.32025	7.2
363.30524	3.7
403.33508	12.7
421.34744	31.6
439.21902	4.0
439.36057	60.8
440.36160	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	439.357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	2.1
55.05507	15.4
57.07062	3.7
58.41599	1.6
59.04990	2.5
67.05504	30.3
69.07067	22.9
69.91100	3.7
69.91500	2.7
71.04995	3.6
71.08618	1.9
75.23639	1.4
77.03939	1.7
79.05482	25.4
80.05803	1.6
81.07050	49.9
82.07349	1.6
83.04962	5.9
83.08613	11.4
85.06539	4.4
91.05482	37.0
93.06504	2.8
93.07044	38.5
93.78246	1.4
95.04965	6.3
95.08606	59.0
96.08964	2.3
97.06524	5.7
97.10174	7.0
99.04456	1.7
99.08086	1.7
103.05431	1.9
105.07024	44.0
106.07283	2.6
107.04931	2.5
107.08592	100.0
108.08912	4.2
109.06521	25.7
109.07219	3.3
109.10152	49.1
110.67434	1.5
111.08063	5.2
111.11754	1.7
113.06025	2.1
117.07006	7.9
119.06058	2.7
119.08575	50.8
120.08870	2.3
121.06506	27.3
121.10152	42.8
123.08065	14.7
123.11708	16.1
125.09625	7.6
128.06239	1.9
129.06987	4.9
131.08574	17.9
133.06448	2.3
133.10121	40.3
135.08034	8.6
135.11693	25.0
137.09612	5.8
137.13234	5.2
139.11157	1.6
141.09137	1.6
142.07780	2.5
143.08560	8.2
145.10112	23.4
147.08035	6.2
147.11676	22.1
148.11995	2.5
149.09613	57.6
149.13248	15.7
150.09970	2.1
151.07576	3.2
151.11119	2.8
153.12738	2.4
155.08531	3.6
157.10126	15.4
158.10838	1.8
159.08037	2.1
159.11676	21.2
161.09605	6.7
161.13266	14.6
163.11172	6.0
163.14874	10.0
169.10152	3.8
171.11665	10.0
173.09598	3.2
173.13231	17.5
174.01775	1.5
175.11176	5.7
175.14844	16.4
175.99393	1.5
177.12729	4.5
177.16377	5.7
179.14326	3.0
181.10185	1.8
182.10777	2.4
183.11725	6.6
185.09557	1.9
185.13258	10.9
187.09706	2.8
187.11209	3.0
187.14807	18.9
189.12769	4.7
189.16357	16.7
191.14279	4.4
191.17926	12.5
195.11729	2.5
195.79553	1.5
197.13281	4.2
199.11165	3.4
199.14767	8.6
201.12753	4.7
201.16348	13.4
203.14267	7.5
203.17967	10.7
205.15880	5.7
207.17398	4.7
211.14832	4.8
213.16367	9.2
215.14368	3.6
215.17979	7.7
217.12212	2.0
217.15895	3.1
217.19536	2.2
219.13840	3.4
219.17421	2.7
223.14752	2.0
225.16486	2.5
227.17917	5.9
229.15767	2.7
229.19514	2.4
231.13802	2.2
231.17474	4.8
235.20403	2.1
237.16367	2.7
239.17943	4.3
241.19711	1.6
243.17546	3.0
247.17055	1.7
251.17761	2.1
253.19525	2.8
255.17422	2.1
255.21126	3.3
257.18777	2.4
261.22299	1.6
269.22638	2.7
271.20676	2.4
281.18680	2.2
299.23621	2.2
315.26935	2.6
393.31497	3.6
403.29272	3.1
421.30685	13.7
439.27155	2.5
439.30435	16.6
439.35666	36.9
440.31351	4.0
440.36542	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	439.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45007	2.8
51.05680	2.8
55.05506	31.1
55.90199	2.8
57.07067	12.3
59.04978	2.7
65.03918	4.2
67.05500	37.0
69.03427	3.3
69.07067	37.4
69.29027	10.7
69.29437	8.6
71.04985	8.8
79.05494	28.8
81.07056	86.4
82.07384	5.4
83.04970	5.1
83.08627	17.8
84.08955	2.9
85.06532	4.5
91.05488	23.6
93.07040	63.2
94.07335	3.6
95.04977	5.2
95.08604	100.0
96.08932	11.4
97.06548	6.3
97.10178	14.2
98.23346	4.8
99.08086	6.0
105.07024	60.1
106.07371	6.5
107.08588	87.5
108.08921	7.0
109.06553	9.1
109.10152	78.6
110.10521	6.2
111.08069	7.2
111.11749	4.0
111.96857	2.7
117.07008	10.0
119.08571	83.8
120.08902	11.4
121.06492	4.0
121.09261	3.9
121.10135	72.2
122.10455	10.0
123.08076	8.0
123.11697	33.4
124.12024	3.4
125.09637	11.3
127.11184	10.6
129.07010	5.8
131.08553	29.1
133.06493	6.8
133.10126	67.4
134.10483	5.6
135.08051	10.1
135.11673	44.6
137.09596	4.9
137.13263	20.8
139.11160	6.1
142.07782	4.9
143.08557	18.7
145.10101	41.6
146.10524	4.4
147.08054	10.5
147.11690	51.7
149.09602	10.6
149.13275	27.4
151.11259	3.7
151.14787	3.8
153.09132	4.3
155.08566	7.7
157.10121	16.3
159.08054	5.2
159.11699	36.3
160.12170	5.5
161.09607	8.7
161.13281	28.2
162.13600	5.6
163.11198	11.9
163.14816	15.1
165.12794	5.5
169.10146	8.4
171.08023	3.9
171.11678	21.4
173.09607	5.3
173.13277	28.7
174.13672	4.4
175.11160	9.9
175.14848	27.7
176.15211	5.1
177.12724	8.4
177.16389	13.0
179.14362	4.3
183.11691	11.5
185.13268	11.7
187.11223	5.3
187.14789	26.4
189.12796	8.4
189.16374	40.2
190.16699	12.0
191.14308	5.0
191.18066	20.5
193.15834	3.7
195.11761	5.0
195.17444	3.6
197.13229	7.1
199.13269	3.6
199.14732	15.8
201.12700	6.5
201.16389	23.5
202.16820	8.6
203.14365	22.3
203.17982	47.2
204.18367	8.4
205.16006	6.9
205.19496	5.9
207.17439	7.9
209.13193	3.6
211.14772	7.7
213.16373	14.3
214.16734	4.1
215.14384	3.4
215.17938	14.0
216.18401	4.8
217.15826	10.8
217.19453	9.6
219.13792	5.8
219.17502	7.0
221.19127	3.4
225.16400	6.9
226.16721	3.0
227.14365	3.2
227.17934	9.5
229.15884	6.0
229.19514	8.7
231.17438	9.8
239.17975	5.3
241.15903	4.4
241.19472	5.9
243.17438	5.0
243.21127	4.7
245.19057	7.0
245.22542	4.4
247.16890	4.3
249.14809	3.8
249.18541	4.7
255.21120	4.3
257.18951	4.8
261.18484	4.4
265.19424	4.3
269.18951	4.8
281.22614	5.8
283.23990	3.4
299.23590	6.5
353.28400	3.9
375.30655	6.7
393.30725	4.6
393.34796	9.1
403.29761	5.9
411.32483	4.2
421.30252	30.1
421.34961	11.8
422.31189	3.6
439.30988	91.5
439.36151	33.3
440.31390	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	440.228
Annotation	Unknow
Peak:m/z	Relative Intensity
66.04755	0.6
78.04707	1.2
78.05732	0.7
79.05493	2.0
79.06487	0.6
91.05471	1.3
103.05487	1.1
105.07004	2.2
106.04175	1.6
107.04971	3.1
107.50347	0.7
123.04449	4.5
124.05195	1.3
131.04897	1.0
131.08566	0.8
132.05212	0.6
133.06480	1.4
133.86092	0.7
135.08124	1.0
137.02484	0.7
137.05954	2.8
138.06273	0.7
145.06413	0.7
147.04381	1.1
148.07556	0.8
149.05997	0.7
151.03920	1.3
151.07578	0.8
152.04681	2.0
153.01823	2.2
161.05960	1.7
163.03883	1.1
163.07512	3.4
167.07037	100.0
168.07356	3.0
175.07497	0.8
177.09285	0.9
179.07076	1.6
181.08600	1.1
193.08623	7.5
201.09021	0.9
211.09593	4.9
222.62344	0.7
233.11880	0.8
355.15161	0.7
365.00235	0.8
387.17926	1.0
405.18848	1.0
441.15985	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92431	19.6
71.32701	28.7
74.43898	23.0
81.07055	40.7
91.05453	25.6
95.08620	46.1
105.07020	30.4
108.05123	19.5
127.49145	19.8
133.06487	24.1
135.08028	19.5
151.26013	20.5
167.07037	52.5
193.08571	31.1
213.04326	21.4
217.07227	21.0
440.14310	100.0
440.23288	65.5
441.15945	31.0
441.24564	80.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58200	3.1
61.68411	3.6
67.05492	4.8
69.81208	16.6
79.05507	5.3
81.07059	10.3
91.05461	5.9
93.07055	7.1
95.08612	14.1
98.22665	5.9
105.07003	11.8
107.08601	10.5
109.10147	4.4
114.91393	4.0
119.08536	8.0
121.10084	8.0
123.08112	6.3
131.08557	5.0
135.11752	3.7
145.10144	8.9
146.10452	4.3
147.11630	4.6
151.07533	100.0
152.07851	42.4
163.14790	3.9
167.07018	8.8
171.11618	5.2
193.08580	5.1
201.16380	5.7
214.16638	7.6
231.17432	10.5
232.17757	15.1
243.21028	5.3
244.21420	4.8
261.09018	4.5
263.06915	4.9
306.08759	8.4
311.09113	7.3
321.11218	6.8
321.76654	4.3
349.10602	15.3
352.60138	3.7
381.13306	8.7
392.48715	3.8
440.23294	16.2
440.32208	9.2
441.15283	6.9
441.24698	28.2
441.33853	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	440.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.5
55.05513	12.7
56.05840	2.0
57.07075	34.5
59.05006	2.7
65.03912	1.8
67.05500	22.7
68.05837	3.5
68.06763	1.5
69.07061	22.3
69.31875	11.3
71.05004	5.0
71.08633	28.2
72.93003	1.4
73.06545	5.9
79.05494	14.3
81.06573	1.8
81.07054	37.0
82.07408	5.5
83.04991	3.0
83.08598	12.0
84.08897	1.8
85.06525	4.5
85.10177	26.9
88.73801	1.6
89.06028	100.0
90.06384	2.1
91.05479	10.6
92.05808	2.7
93.07037	25.2
94.07368	5.2
95.04987	3.3
95.08602	46.7
96.08926	7.1
97.06512	5.8
97.10175	6.7
99.08082	3.3
99.11739	3.1
105.07022	23.9
106.07370	5.2
107.07078	3.6
107.08598	34.3
108.08930	3.9
109.06485	3.9
109.10161	30.3
110.06867	1.4
110.10496	5.9
111.08059	3.7
111.11719	2.4
113.09639	1.7
117.07011	4.8
119.08575	26.9
120.08907	5.0
121.06523	3.9
121.10143	32.0
122.10490	6.2
123.08075	3.8
123.11720	16.5
124.12042	2.1
125.09601	6.6
127.11207	4.3
130.06187	1.5
131.08559	11.6
132.08902	4.0
133.08600	44.1
133.10114	20.1
134.10434	4.4
135.08081	4.0
135.11691	21.3
136.11972	3.1
137.09622	2.7
137.13252	5.4
139.11212	2.0
141.16394	3.6
143.08553	3.1
143.10738	1.9
144.08858	1.7
145.10117	15.1
146.10431	3.7
147.08047	2.4
147.11673	17.4
148.12027	3.9
149.09586	2.5
149.13246	11.5
150.13576	2.9
151.11182	2.4
153.09158	1.9
155.08553	1.9
157.10135	8.0
158.10387	1.8
159.11687	12.2
160.11987	3.7
161.13231	10.8
162.13612	3.7
163.11218	3.5
163.14813	6.6
164.07806	1.8
169.10121	3.6
170.10390	1.9
171.11702	7.7
172.12035	2.1
173.13260	8.5
174.13605	4.0
175.14821	12.5
176.15117	3.9
177.11229	12.9
177.12651	2.8
177.16403	4.5
179.14372	2.7
183.11670	2.3
184.12048	1.5
185.13268	5.7
185.18953	4.2
187.11172	2.6
187.14830	10.3
188.15166	3.0
189.12630	1.6
189.16353	9.6
190.16751	2.8
191.14229	2.8
191.17949	6.7
192.18323	3.0
195.11903	2.6
197.13274	2.5
199.14748	5.3
200.15321	2.5
201.12706	2.5
201.16351	7.1
202.16760	3.7
203.14267	4.5
203.17899	6.2
204.18330	3.4
205.15906	4.6
211.14821	3.7
213.16344	5.1
215.14326	2.6
215.18010	5.6
216.18364	1.7
217.15886	2.9
217.19542	3.2
219.17488	2.0
226.16982	1.9
227.17897	3.5
229.19568	3.2
229.21623	8.0
233.15361	4.2
239.14867	2.4
239.17888	2.2
241.19612	3.2
253.19579	1.9
255.21225	2.5
257.18793	1.8
269.22589	3.9
271.20590	2.8
273.24292	3.6
280.23547	2.2
283.17581	9.7
284.20782	2.0
287.23529	1.8
293.22592	2.2
293.90652	1.8
315.27252	1.9
320.06570	1.8
346.44855	1.6
394.36295	1.9
405.31622	2.7
422.30997	4.5
422.35855	2.1
423.32742	16.1
440.31396	23.8
440.36752	8.9
441.33383	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1003
Annotation	Unknow
Peak:m/z	Relative Intensity
59.44643	0.5
64.56245	0.4
68.99774	1.3
70.06582	0.5
71.32648	0.5
73.14029	0.5
85.02909	0.5
90.10533	0.5
97.02847	0.5
111.00809	0.7
113.02168	0.5
123.04431	1.7
125.02193	0.6
127.03913	3.4
135.00526	5.0
135.04453	0.7
139.03882	1.8
143.03355	0.7
147.04356	0.6
150.51448	0.5
151.03975	0.7
153.01805	6.1
153.02896	1.1
156.57463	0.5
161.22826	0.5
163.03932	0.8
166.73816	0.5
177.01768	0.5
177.05460	0.6
179.03418	2.1
184.97498	0.4
185.04182	3.3
201.05440	0.5
203.03421	1.2
203.45149	0.5
204.07617	0.7
213.05344	0.6
217.05031	0.5
220.41899	0.5
221.04642	0.5
229.05022	0.6
245.04433	6.2
257.04434	1.0
263.05441	1.0
267.08350	1.8
269.06396	1.3
271.05939	1.1
273.03802	0.5
279.08633	0.7
279.11633	0.6
285.03769	0.8
287.05283	0.7
297.05838	1.9
303.05026	3.7
329.08380	13.0
330.08722	1.0
339.06677	1.0
359.99252	1.3
361.07031	0.5
379.09882	4.7
380.10486	0.6
381.07950	4.0
405.06055	0.9
423.07043	2.5
441.09958	100.0
441.17157	26.6
442.10330	8.1
442.17413	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41146	1.0
55.05512	1.2
56.30718	0.9
63.66450	1.1
67.05516	1.3
69.07058	1.3
69.39104	5.6
69.39513	2.3
79.05507	1.5
81.07061	2.1
93.07053	2.9
95.05020	1.0
95.08553	1.8
97.06544	1.1
105.07008	1.8
107.08591	1.6
109.10169	1.1
117.07017	1.1
119.08593	2.0
121.10162	1.4
129.06990	1.4
131.08521	1.3
133.10109	1.4
140.93915	1.0
145.10172	1.2
159.11679	1.3
169.10049	1.2
173.09610	1.3
173.13315	1.3
189.06978	1.1
189.16435	1.1
190.05981	1.4
217.08418	1.8
219.07954	1.7
230.05449	6.5
231.06151	2.0
233.07838	2.1
235.07544	1.6
247.07410	1.4
248.08202	1.4
260.08328	2.5
261.08951	2.1
263.07193	1.3
264.07703	1.2
288.07983	1.1
291.06470	1.3
292.07776	1.1
293.08075	1.9
305.08063	1.6
306.08939	3.2
308.10294	1.2
321.11212	2.3
335.09158	1.2
349.10745	6.7
381.13431	6.4
409.12799	1.5
441.15198	100.0
441.24161	7.1
442.15646	9.1
463.50592	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
61.57641	0.3
69.63902	1.8
83.01087	0.7
95.01084	1.6
96.01854	0.9
98.23228	0.4
112.01318	0.9
113.02113	2.8
126.02880	0.6
127.03911	3.1
153.01852	2.7
157.04781	0.6
162.39407	0.3
185.04210	3.5
189.05240	0.4
201.03674	0.8
203.05281	0.6
204.07587	3.1
205.08160	0.7
232.71175	0.3
243.08496	0.4
259.07806	0.6
279.12033	1.5
295.52353	0.3
298.43216	0.4
347.90689	0.5
441.17285	100.0
442.17621	7.5
459.61542	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2094
Annotation	Ala His Val Asp
Peak:m/z	Relative Intensity
50.80064	0.5
51.82087	0.3
55.05505	0.5
57.07041	0.5
67.05512	1.0
69.07076	0.3
69.54416	2.2
79.05495	0.5
81.07051	1.8
83.08621	0.4
91.05492	0.9
93.07050	1.2
95.08601	1.5
97.06516	0.6
105.07024	1.5
107.08600	1.7
109.10159	0.6
117.07021	0.6
119.08591	1.3
121.06491	0.4
121.10156	1.0
123.11707	0.6
131.08565	1.1
133.10115	0.9
135.11702	0.7
145.10106	0.9
149.09605	0.4
151.07498	0.5
153.01909	0.6
157.10106	0.4
159.11713	1.0
161.09612	0.4
161.13264	0.5
171.11720	0.6
173.13283	0.3
175.14824	0.4
181.10078	0.4
183.11665	0.4
183.14754	0.4
187.14841	0.5
197.01166	1.9
199.14735	0.5
201.05246	3.2
204.03970	0.8
215.02296	1.1
222.99229	0.4
241.00215	1.5
259.01273	1.4
267.11945	0.5
291.10132	0.5
321.11169	0.4
323.09116	0.4
349.10468	1.0
381.13382	0.7
415.03311	0.9
423.19263	0.4
433.04251	2.5
441.11163	2.9
441.20905	100.0
442.21207	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	441.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18410	0.8
55.05497	2.2
59.04994	3.7
67.05502	2.6
69.07076	2.1
69.29826	6.8
74.11282	0.9
79.05467	2.2
81.07060	3.9
83.08621	4.7
88.88309	0.9
91.05464	2.1
93.07046	3.7
95.08598	3.8
97.06490	0.9
97.10174	3.1
105.07037	3.7
107.04946	1.2
107.08575	2.6
109.10169	2.4
111.08084	2.1
117.06996	1.4
117.09175	1.5
119.08567	3.3
121.10137	2.3
123.08047	1.3
125.09618	2.5
131.08554	2.1
133.10149	2.4
135.08041	1.6
135.11662	1.6
143.08522	1.3
145.10086	2.7
147.11662	2.1
149.09613	0.9
153.01942	1.2
157.10118	1.0
159.11667	1.3
161.13235	1.5
165.09061	1.9
175.09729	1.5
175.11171	1.1
175.14778	1.0
183.11752	1.1
189.11223	1.6
197.07796	4.9
197.98651	1.2
205.12354	1.2
211.09451	6.4
231.08032	1.0
249.05461	1.1
253.10422	5.4
260.08319	1.2
267.12088	5.1
288.07565	1.0
321.11499	1.3
349.10602	2.7
367.11163	1.2
441.20883	100.0
442.21078	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	441.233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	11.9
55.05501	19.8
57.03440	14.9
60.23579	11.1
67.05512	16.5
69.03437	31.1
69.07064	64.7
69.37310	90.3
70.06582	40.3
71.04986	20.4
72.95016	10.8
79.05486	20.0
81.03397	17.7
81.07053	56.9
82.21665	12.8
83.04978	33.6
85.02908	63.7
91.05488	16.7
93.07033	12.8
95.04967	12.4
95.08556	17.7
97.02862	32.4
107.84830	12.2
110.94003	12.5
111.04456	11.8
111.11743	30.7
112.07608	23.4
115.04002	21.2
119.08597	12.4
123.11702	67.7
127.03918	20.6
129.12810	24.0
141.12837	14.6
143.03374	13.8
145.04999	14.6
147.04463	13.6
151.03940	17.8
153.01813	100.0
179.03369	19.5
191.03500	12.9
225.07877	12.3
271.06119	18.6
279.12561	33.3
388.95120	12.8
397.41589	13.2
441.11655	59.7
441.17352	44.8
442.10043	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2457
Annotation	Lys Phe Phe
Peak:m/z	Relative Intensity
55.05514	0.8
67.05498	0.4
69.44274	0.6
69.44680	1.2
71.08632	0.9
79.05504	0.4
81.07085	0.4
83.04980	0.5
83.08610	0.6
85.06557	0.3
88.11273	0.9
91.05488	0.3
97.95971	0.3
98.22662	0.4
100.07633	0.8
100.11248	2.4
107.04977	0.3
107.12008	0.3
110.19209	0.3
111.04437	1.5
112.07627	0.3
128.07080	0.9
139.03874	0.3
143.03447	0.3
153.00581	0.3
153.01743	1.5
158.14035	0.3
158.94893	0.3
161.06030	0.3
161.39400	0.3
170.15388	3.9
182.15358	1.9
197.16463	0.4
198.14870	3.5
203.05270	5.2
209.16525	0.8
210.14934	3.2
227.17566	0.6
244.20166	1.5
261.18338	1.6
271.06088	0.3
295.78638	0.3
297.25333	0.9
309.01144	0.4
314.28085	0.8
321.05844	0.4
336.22821	0.4
337.21167	0.9
354.23779	0.8
355.17255	0.6
397.18353	1.3
423.33334	0.9
424.31635	2.4
441.24573	100.0
441.34418	3.2
442.18738	0.4
442.24887	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	441.2459
Annotation	Lys Phe Phe
Peak:m/z	Relative Intensity
70.51363	0.8
77.46062	0.2
78.68047	0.2
100.93468	0.2
107.08665	0.3
115.04015	0.2
123.11661	0.3
165.09151	0.6
177.26216	0.3
203.05260	4.8
261.18192	2.0
279.19290	1.5
336.87875	0.3
392.69238	0.3
423.23389	0.4
441.24600	100.0
442.24963	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	441.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.1
53.39935	2.4
55.01858	3.5
55.05505	23.3
57.07071	6.8
65.03933	2.6
67.05167	3.4
67.05503	48.6
69.03423	4.5
69.07067	36.0
69.36456	2.0
70.58785	6.4
71.04987	3.5
71.08649	2.2
79.05492	50.5
80.05841	2.1
81.07056	81.9
83.04976	7.2
83.08624	18.7
84.41161	1.9
85.06540	7.6
85.10213	2.1
91.05473	45.6
93.06447	4.2
93.07043	80.8
94.07353	2.6
95.04968	8.3
95.08604	78.5
95.09223	4.4
96.08961	2.6
97.06514	13.1
97.10162	10.0
99.08081	3.6
105.07030	49.6
107.08590	74.1
107.20388	2.2
109.06509	7.0
109.10152	54.6
111.08076	9.9
111.11720	2.3
117.07031	11.7
119.08572	67.2
121.06541	4.6
121.10141	99.3
122.10492	4.7
123.08018	10.4
123.11700	19.2
125.09614	7.5
129.06979	6.1
131.08559	30.5
133.09178	4.5
133.10130	56.8
134.10423	2.8
135.08028	10.0
135.11682	46.8
137.09612	14.8
137.13257	7.0
139.11171	9.3
141.06972	2.3
143.08554	12.5
145.10127	39.1
147.08014	4.1
147.11688	36.9
149.09605	14.5
149.13271	24.4
151.11192	8.6
153.09129	4.5
153.12781	2.3
155.08568	4.9
157.10103	15.6
159.08075	2.6
159.11684	27.6
161.09642	8.7
161.13246	18.9
163.11227	6.4
163.14796	20.9
165.12753	3.5
167.10716	3.1
169.10144	6.0
170.10846	3.7
171.11673	14.7
173.13229	26.9
175.11201	3.7
175.14825	23.5
177.12723	3.2
177.16386	24.3
179.14256	2.6
181.10156	2.8
183.11714	6.4
185.13263	12.1
187.11191	5.0
187.14832	21.9
189.12761	5.1
189.16383	23.8
191.14288	4.3
191.17952	17.3
193.15790	5.2
195.11768	2.6
197.13287	4.6
199.14847	9.4
201.12717	9.5
201.16367	17.4
203.14330	8.8
203.17981	17.5
205.15863	11.4
207.13869	2.6
207.17488	10.1
211.14792	5.3
213.16444	15.6
215.14397	2.6
215.17943	10.7
217.15883	4.9
217.19521	5.3
219.13808	6.4
225.16357	3.9
227.17993	8.1
229.15918	6.9
229.19522	6.8
231.17378	19.3
233.15399	8.4
233.19119	4.1
239.18008	2.9
243.21152	2.8
249.14612	3.1
249.18500	59.5
250.19051	2.4
251.16304	4.1
251.20169	4.1
253.19518	6.8
257.18848	3.1
257.22729	3.7
267.19284	3.1
275.23380	2.3
287.20065	2.6
305.22946	2.2
321.25693	2.2
369.27753	7.2
387.28824	18.3
388.29916	2.4
395.33575	3.2
405.30490	27.6
423.32693	29.7
424.32605	4.0
441.33609	100.0
442.33762	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	441.336
Annotation	Larreagenin A
Peak:m/z	Relative Intensity
52.60195	0.8
52.73809	0.9
53.03944	1.5
54.20131	1.0
55.05506	7.7
57.07069	1.8
63.58717	0.9
65.03929	1.7
65.12004	0.9
66.29763	0.9
67.05502	12.9
69.03394	1.4
69.07065	11.4
69.81740	4.2
71.04987	2.8
79.05485	10.1
81.07054	20.6
83.04955	1.5
83.08627	6.0
86.68787	0.9
91.05466	9.9
93.07039	17.7
94.07405	1.3
95.04949	2.4
95.08595	36.8
96.08910	1.0
97.06538	1.4
97.10162	3.1
99.08096	1.9
104.13378	0.9
105.07021	20.8
107.08587	28.0
108.05729	3.6
109.06516	2.1
109.10157	29.1
110.10462	1.0
111.08051	2.6
111.11721	1.2
117.06989	1.9
119.08572	27.2
121.06490	2.3
121.10137	22.6
123.08061	38.9
123.11691	10.2
124.08423	1.4
125.09649	2.9
127.11170	5.8
131.08545	5.6
133.06522	1.0
133.07564	1.6
133.10126	18.7
134.10432	1.0
135.08038	29.9
135.11681	19.8
137.09595	1.3
137.13243	3.7
143.08542	2.6
143.10651	1.2
145.10095	10.9
147.08046	2.0
147.11676	16.1
148.12018	1.5
149.09618	8.6
149.13234	8.9
151.07530	100.0
152.07903	2.7
155.08553	1.3
157.10124	4.3
159.08032	1.1
159.11682	12.9
160.12195	1.1
161.09593	4.3
161.13254	10.6
163.11172	3.8
163.14841	5.6
169.10077	2.2
171.11694	4.2
173.09607	2.6
173.13260	8.1
175.11176	10.2
175.14830	8.6
177.16353	5.4
179.14316	1.5
183.11707	2.3
185.13242	3.0
187.14832	7.6
187.16261	1.2
188.15085	1.2
189.12654	2.2
189.16350	14.5
191.14325	1.7
191.17891	11.5
199.14818	3.0
201.12646	2.2
201.16397	8.5
203.14273	2.5
203.17920	6.8
205.15799	2.0
207.17490	3.5
208.81230	1.1
213.16306	2.2
215.14380	2.4
215.17914	6.8
217.15842	2.1
217.19499	2.7
219.17282	1.9
227.17990	1.6
229.19499	3.7
231.21071	1.2
233.19052	3.4
241.19531	1.5
257.22668	5.0
273.25784	3.4
275.23694	1.3
283.20737	1.0
283.23895	1.9
284.12756	1.2
301.25162	2.4
365.80109	1.0
397.31061	1.5
405.31436	2.2
423.31546	7.0
423.36417	5.2
441.33054	19.5
442.33844	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3364
Annotation	Larreagenin A
Peak:m/z	Relative Intensity
53.03942	3.3
55.01863	8.9
55.05503	20.7
57.07067	7.2
58.87369	1.9
59.04990	3.4
61.92287	1.8
65.03915	2.5
67.05502	33.4
69.03435	2.9
69.07068	33.9
69.43665	7.0
69.44068	5.8
71.08617	3.7
73.54094	1.9
79.05488	25.1
81.07054	59.4
82.07382	2.7
83.04961	7.3
83.08612	9.5
83.35580	2.7
85.06537	11.2
91.05466	18.9
93.07039	55.0
95.04977	3.7
95.08598	100.0
96.08939	2.5
97.06535	9.8
97.10147	7.7
101.05962	2.3
105.07025	49.4
107.08589	77.2
108.08934	1.9
109.06510	10.6
109.10152	56.8
111.08064	8.6
111.11733	3.3
113.09667	2.6
117.07014	8.5
119.08578	87.9
120.08907	4.3
121.06515	5.2
121.10136	64.2
122.10527	2.6
123.08074	16.2
123.11702	24.5
125.09599	5.0
129.07030	2.3
131.08553	18.3
133.08563	2.4
133.10121	46.9
134.10487	2.3
135.08052	9.4
135.11693	46.9
137.09634	10.9
137.13246	8.6
139.11183	8.9
142.07774	3.5
143.08553	11.3
145.10094	32.7
147.08041	6.0
147.11682	31.6
149.09615	7.5
149.13245	20.4
151.11197	21.5
153.12769	3.5
155.08458	2.9
156.09322	2.4
157.10115	16.0
159.11691	42.4
161.09622	7.2
161.13254	53.6
163.11198	7.2
163.14809	48.5
164.15218	2.6
165.12781	6.7
169.10143	4.8
171.11705	13.2
173.13229	23.3
175.11169	8.0
175.14795	28.2
177.12712	7.3
177.16411	7.3
179.14290	43.4
181.15915	9.2
183.11674	5.9
185.13284	9.3
187.11284	2.2
187.14804	17.8
189.12790	7.7
189.16394	20.8
191.14285	5.8
191.17935	29.4
193.15894	4.5
197.13226	5.5
199.14775	16.7
201.16383	26.6
203.14299	8.1
203.17909	14.2
205.15858	7.4
205.19485	5.2
207.13876	3.8
207.17416	6.8
211.14810	2.8
213.16405	11.4
215.14323	2.2
215.17917	15.3
217.15874	55.8
217.19456	7.7
219.17459	7.9
221.19084	2.1
225.16504	4.9
227.17909	9.0
229.19537	5.3
231.17407	6.1
233.18872	11.3
235.16916	78.3
236.17421	3.9
237.16431	2.1
241.19427	4.8
243.17386	10.4
243.20985	3.3
245.18909	4.5
247.20346	2.4
255.21393	2.0
257.22598	3.5
261.18539	3.8
267.21097	4.1
269.22696	2.9
271.20544	3.1
279.23145	2.3
285.22110	6.0
301.25519	2.7
348.92691	2.2
387.30795	2.4
405.31216	18.7
423.31595	38.6
423.36551	20.0
424.32571	5.0
441.32932	49.4
442.33865	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3364
Annotation	Larreagenin A
Peak:m/z	Relative Intensity
53.03928	0.5
55.05510	2.9
57.07070	0.7
58.42541	0.5
59.04987	0.7
67.05502	4.5
69.03410	0.7
69.07066	4.2
71.01179	1.0
78.02142	0.4
79.05489	4.0
81.07057	7.9
83.04992	1.0
83.08622	2.0
85.06536	1.3
91.05474	4.0
93.07043	8.2
95.04998	0.8
95.08012	0.9
95.08604	9.9
96.08920	0.5
97.06526	1.0
97.10168	0.8
105.07029	8.9
107.08594	14.2
109.06485	0.8
109.10163	5.9
111.08089	1.0
117.07011	1.9
119.08582	14.0
120.08940	0.6
121.10142	7.8
123.08068	1.1
123.11711	2.8
125.09599	0.8
131.08559	5.7
133.06432	0.5
133.10136	9.1
135.08017	2.3
135.11699	9.6
137.09628	0.9
137.13249	0.6
139.11192	0.8
142.07761	0.6
143.08556	2.6
144.09262	0.7
145.10127	7.6
146.10457	0.7
147.08083	0.6
147.11676	5.9
149.09599	1.2
149.13252	3.8
151.11227	1.0
155.08594	0.6
156.09358	0.8
157.10112	3.4
158.10866	1.0
159.08115	0.7
159.11673	6.5
160.08435	0.5
160.89799	0.5
161.09666	0.8
161.13257	4.8
163.11214	1.6
163.14856	2.0
165.09093	0.7
165.12785	0.6
168.09290	0.7
169.10120	1.0
170.10907	0.8
171.11681	2.7
173.09572	0.6
173.13271	6.2
175.11253	1.0
175.14833	3.5
177.12735	8.1
177.16440	0.6
179.14325	2.4
181.10173	0.6
183.11745	2.5
185.13235	3.3
186.14059	0.6
187.14819	2.9
189.12793	1.3
189.16383	10.0
190.16612	0.7
191.14334	3.4
191.17960	1.0
195.11681	0.5
197.13287	1.8
199.11252	0.6
199.14793	1.8
200.11987	1.2
201.12741	8.9
201.16388	4.0
202.13191	0.5
203.14301	6.9
203.18047	1.0
204.14713	0.6
205.15828	1.1
207.11722	0.5
207.17438	6.9
209.13231	0.8
211.14873	1.3
213.16345	1.6
215.14432	2.1
215.17957	1.1
217.15883	4.6
219.13817	8.2
219.17502	1.2
225.16451	1.3
227.17899	0.8
229.15927	2.6
229.19441	1.1
231.17532	1.2
239.18074	0.6
241.15927	0.5
241.19574	0.8
243.17497	2.8
245.18896	0.6
251.18051	1.1
255.17549	0.6
257.19049	1.2
259.20584	1.3
265.19635	0.9
269.19009	1.8
271.20724	0.8
273.76382	0.4
283.20511	1.0
302.03860	0.4
327.63477	0.4
387.30591	1.0
393.27896	1.1
405.31409	4.4
408.30280	7.5
409.30743	0.5
423.32632	16.2
424.32864	2.1
441.33652	100.0
442.34033	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	441.3362
Annotation	Larreagenin A
Peak:m/z	Relative Intensity
53.03935	1.3
54.00977	1.2
55.05500	6.0
57.03422	1.8
57.07043	3.8
59.04985	2.5
67.05495	14.1
69.07059	11.6
71.04956	2.6
71.08614	1.1
73.92442	1.1
79.05489	14.6
81.07055	32.2
83.04954	2.4
83.08618	6.4
83.56365	1.1
84.27222	1.0
85.06496	2.6
87.54081	1.0
90.74218	0.9
90.95026	1.0
91.05474	11.6
93.07041	23.7
94.07321	1.1
95.04922	3.1
95.08601	37.8
97.06507	6.9
97.10110	3.5
98.67522	1.0
99.08048	1.7
105.07030	25.6
107.04906	1.5
107.08590	40.2
109.06461	4.6
109.10162	19.3
111.08062	1.5
111.11658	1.1
117.06991	2.7
119.08572	37.2
120.08801	1.3
121.06480	1.7
121.10148	21.7
123.07999	4.4
123.11713	8.8
125.05988	10.8
125.09550	3.6
127.11117	1.6
129.06898	1.2
131.08562	12.0
133.10123	31.1
134.10464	1.1
134.82828	1.1
135.07983	3.9
135.11685	41.8
137.09514	2.6
137.13165	4.7
139.11096	1.9
143.08453	3.5
144.09250	1.5
145.06432	1.3
145.10092	12.2
147.07985	3.4
147.10626	1.4
147.11681	20.2
148.11935	1.7
149.09563	2.2
149.13258	11.0
151.07497	2.1
151.11087	4.2
153.09013	2.3
155.08449	2.5
156.09357	1.3
157.10033	4.6
158.10809	1.8
159.08014	5.4
159.11707	10.8
160.12494	1.3
161.09631	14.4
161.13248	11.7
163.07561	1.3
163.11127	1.4
163.14813	10.5
165.12625	3.1
167.10559	3.1
171.11603	4.9
173.09592	7.4
173.11876	1.7
173.13239	18.6
175.11143	1.5
175.14792	7.6
177.09070	2.0
177.12717	2.0
177.16423	1.8
179.14235	2.2
183.11606	2.4
184.86342	1.2
185.13147	2.3
187.11073	1.7
187.14799	7.2
189.16379	47.8
190.16681	2.8
191.14189	4.3
191.17947	10.1
193.15816	2.1
195.11586	1.6
195.13564	1.4
197.13281	5.2
199.11041	1.5
199.14783	2.1
201.12744	27.5
201.16385	7.4
203.14198	4.0
203.17789	4.6
205.15848	1.8
205.19382	4.2
207.17433	100.0
208.17625	4.9
209.15242	2.2
213.16220	3.2
215.14304	67.0
215.17722	3.9
216.14558	3.8
217.15851	11.6
217.19391	2.1
219.13811	36.8
219.17238	10.4
220.13943	3.0
227.17802	1.7
229.15718	4.2
231.17268	1.9
233.15338	26.0
233.18842	1.8
234.15584	1.4
237.14716	1.7
243.17188	3.3
247.16768	1.5
269.18808	3.6
271.20404	1.1
279.22946	2.6
283.20493	1.9
359.86664	1.3
405.31424	6.0
423.32330	31.5
424.32538	4.1
441.33154	78.1
442.33719	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	441.3363
Annotation	Larreagenin A
Peak:m/z	Relative Intensity
53.03947	1.6
55.01871	1.6
55.05511	12.5
57.07069	3.6
57.52943	1.0
65.03938	1.8
65.41937	0.9
67.05500	17.5
69.03427	2.5
69.07072	17.5
69.11261	0.9
69.14182	9.1
71.04980	2.8
71.68269	1.2
79.05483	13.2
79.80594	1.0
81.07056	31.3
83.04974	2.4
83.08620	7.8
85.06551	4.8
91.05470	11.9
93.07045	27.7
94.07375	1.4
95.04990	3.5
95.08605	43.8
96.08904	2.5
97.06548	4.2
97.10175	6.4
98.22490	2.4
99.04445	1.1
99.08099	2.6
105.07025	36.3
106.07320	2.6
107.04950	2.6
107.08591	39.9
108.08897	2.1
109.06521	4.5
109.10156	29.0
110.10496	1.4
111.08089	4.5
111.11729	1.2
115.07597	1.9
117.07035	3.9
119.08581	33.6
119.09395	2.2
120.08929	1.6
121.06528	3.7
121.10142	34.5
122.10457	2.5
123.08064	4.8
123.11711	12.6
125.09656	4.7
127.07622	1.6
127.11207	3.2
129.07033	3.5
131.08583	11.4
133.06496	1.8
133.10126	23.3
135.08051	7.0
135.11684	22.1
135.12611	1.8
136.12030	1.6
137.09608	4.5
137.13246	5.1
139.07556	1.9
139.11217	2.3
143.08554	8.9
143.10695	1.5
145.10127	19.9
147.08072	2.5
147.11682	17.6
149.09605	2.7
149.13239	14.6
149.62114	1.3
151.07565	2.3
151.11166	2.9
151.14861	1.4
153.09163	1.2
153.12801	2.4
155.08559	2.7
156.09286	1.4
157.10103	8.5
158.10641	1.4
159.08061	2.7
159.11690	18.0
161.09641	4.4
161.13248	14.3
162.13625	1.7
163.07541	1.3
163.11186	3.2
163.14789	9.7
165.09146	1.6
165.12779	2.0
167.14291	1.2
169.10173	3.8
171.11690	8.0
173.09639	2.3
173.13257	13.2
175.11267	5.0
175.14816	14.5
176.15201	1.8
177.09164	1.1
177.12759	4.5
177.16432	6.8
179.14337	2.4
181.10118	1.3
183.11717	4.6
185.13266	8.0
187.11238	2.4
187.14809	17.5
189.09009	1.3
189.11243	2.2
189.12811	2.8
189.16423	11.4
191.14349	2.8
191.17943	9.1
193.15759	2.2
195.11771	1.7
197.13257	3.7
199.11110	1.8
199.14868	5.6
201.12808	3.4
201.16342	12.5
201.17790	1.1
203.14232	5.1
203.17992	7.6
204.18408	1.3
205.15910	5.5
209.13200	1.3
211.14827	1.8
213.16302	5.0
215.14413	2.5
215.17900	6.6
217.12259	3.2
217.15894	3.3
217.19516	2.6
219.13899	1.7
219.17455	3.3
221.15549	1.3
223.14906	1.5
225.16400	2.9
227.17921	4.5
229.15771	1.7
229.19579	3.7
231.17529	3.8
233.15376	2.7
233.18965	2.3
239.17972	2.8
241.19531	3.4
243.17494	1.8
243.20967	1.1
245.19028	1.6
247.16982	3.1
249.18532	1.9
253.19522	3.4
255.21225	3.1
265.18079	3.3
267.21033	1.8
269.22733	1.7
271.20612	1.8
275.20435	1.2
281.22696	1.1
301.21597	1.6
310.35956	1.4
319.22595	5.3
335.23773	1.4
346.70590	1.2
353.24832	1.2
369.27817	1.9
387.29370	2.5
395.29410	4.5
395.33688	2.2
399.28726	1.3
405.31268	4.2
423.32568	20.4
423.37857	1.5
424.33313	1.8
441.33707	100.0
442.34003	11.7
442.38654	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3363
Annotation	Pfaffic acid
Peak:m/z	Relative Intensity
55.05508	11.6
57.07079	5.5
67.05485	13.9
69.07082	19.1
70.46684	7.3
79.05491	17.3
79.63786	2.8
81.07057	39.6
83.05004	2.9
83.08633	8.4
85.06551	5.8
91.05479	20.9
93.07053	41.0
95.08605	59.3
96.08982	3.0
97.10178	6.3
105.07029	46.0
107.08597	69.6
108.08942	3.0
109.10168	22.7
117.07029	5.5
119.07749	5.0
119.08591	83.9
121.06467	2.8
121.10149	47.7
123.08086	5.3
123.11707	8.9
128.09322	2.8
131.08563	23.9
133.10144	57.3
135.11722	30.1
142.07724	3.5
143.08592	8.1
145.10136	45.1
146.10637	2.7
147.11711	34.4
149.09595	3.9
149.13292	24.8
151.11249	2.8
153.09143	4.6
157.10168	9.2
159.11700	32.5
161.09760	3.0
161.13274	26.0
163.14825	35.7
171.11681	10.0
173.13278	28.0
175.14824	45.2
177.09114	6.5
177.12860	5.1
177.16399	10.2
179.14357	5.1
182.29291	2.5
185.13243	9.6
187.14851	28.5
189.16374	57.7
189.17992	3.9
191.14320	5.9
191.17950	6.4
193.15892	6.7
194.61638	2.9
199.14812	9.0
201.12807	7.5
201.16386	42.8
203.14322	5.3
203.17982	18.3
205.15871	10.9
207.17493	8.4
209.15326	3.1
211.14867	6.2
213.16440	8.1
215.14375	5.1
215.17970	27.8
217.15868	7.2
217.19565	5.2
219.13896	5.8
219.17444	4.4
225.16211	3.3
227.18033	6.8
229.15897	8.0
229.19473	28.8
231.17511	3.5
233.15454	3.5
233.19000	3.2
235.17021	5.7
241.19563	6.5
247.16913	26.0
247.20668	4.9
253.19565	4.0
259.20667	3.5
261.18524	16.2
268.73117	2.6
273.18500	5.4
275.20096	10.8
287.20197	5.5
299.20032	3.9
377.32162	12.2
395.33063	20.8
405.31601	10.3
408.30246	5.9
423.32523	54.9
424.32474	3.2
441.33685	100.0
442.34103	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	441.3364
Annotation	Larreagenin A
Peak:m/z	Relative Intensity
50.22213	2.3
53.03942	3.3
55.01865	3.3
55.05511	24.5
57.03425	3.6
57.07062	8.8
59.04988	6.2
59.83687	2.0
65.03940	3.3
67.05499	42.1
68.61096	1.8
69.03403	6.4
69.07060	32.8
71.04992	6.1
71.08638	2.3
72.89400	1.9
79.05487	24.2
81.07050	73.8
82.07382	3.7
83.04974	5.7
83.08612	11.8
85.06513	9.7
91.05469	26.8
93.07040	68.4
94.07359	2.7
95.04955	9.2
95.08598	100.0
96.08903	3.5
97.06524	9.9
97.10164	9.6
99.04449	3.3
99.08068	7.5
105.07027	50.9
107.08585	73.4
108.08869	2.9
109.06542	11.0
109.10152	77.1
110.10469	6.0
111.08089	14.9
111.11700	2.5
117.07006	9.6
119.08575	75.8
120.08941	3.1
121.06487	3.1
121.10135	63.9
122.10461	3.8
123.08086	11.2
123.11680	25.0
125.09615	10.8
127.11179	7.7
128.06227	3.1
129.07005	5.3
131.08559	26.6
133.06540	2.9
133.10120	58.9
135.08049	14.8
135.11685	38.1
137.09602	7.4
137.13220	12.5
139.07510	3.6
139.11124	3.6
141.06943	2.4
142.07755	3.2
143.08537	15.6
143.10701	2.6
144.09293	2.5
145.10114	33.7
146.10484	2.2
147.08061	6.7
147.11682	39.3
148.12041	3.6
149.09612	7.7
149.13254	21.6
151.11177	15.8
153.12674	2.1
155.08566	5.1
156.09262	3.5
157.10117	18.0
158.10928	2.4
159.08043	3.1
159.11678	33.2
160.12077	4.4
161.09593	9.0
161.13246	23.2
163.11172	11.6
163.14793	18.4
165.12720	6.6
168.09402	2.4
169.10120	7.7
170.10706	2.8
171.11690	18.2
173.09483	2.9
173.13268	27.7
175.11139	7.0
175.14828	22.3
177.09081	3.5
177.12799	12.8
177.16376	9.9
179.10622	8.0
179.14307	6.2
181.12251	2.5
183.11665	7.5
185.13274	15.7
186.13675	2.9
187.11162	4.4
187.14827	23.2
188.15044	2.6
189.12743	11.4
189.16382	24.3
190.16878	2.7
191.14320	6.6
191.17926	20.6
195.11580	2.7
197.13261	6.6
199.14853	14.2
201.12697	10.3
201.16368	20.7
203.14282	9.7
203.17950	11.8
205.12285	2.5
205.15854	7.1
205.19499	3.9
207.13748	2.9
207.17438	9.9
209.13315	2.6
211.14841	4.3
213.16357	9.1
214.16888	3.3
215.14317	7.8
215.17926	11.9
217.12218	7.2
217.15915	7.4
217.19542	6.5
219.13713	4.3
219.17422	6.1
221.15329	3.0
225.16324	4.7
227.17934	8.4
229.19533	7.1
231.17453	4.2
231.20984	2.8
233.15372	7.9
233.18866	4.4
235.16914	9.8
239.17981	4.2
241.19420	5.3
243.17303	3.4
243.21126	2.4
249.18417	3.0
253.19510	5.5
255.17310	4.3
257.19205	2.5
257.22513	2.9
267.21027	4.1
269.18887	4.7
271.20517	2.7
273.18347	2.6
273.22064	3.2
279.20862	2.5
283.20874	3.0
285.21997	5.5
303.23120	4.9
309.22192	4.1
321.25327	2.7
327.23285	2.8
345.24280	2.5
395.29300	7.4
405.31491	13.5
423.32297	23.6
441.33640	56.8
442.34064	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	441.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	7.4
57.07058	3.5
59.04984	3.2
67.05504	16.4
69.03426	3.5
69.06725	1.1
69.07067	16.1
71.04979	2.4
79.05492	8.5
81.07055	34.4
83.04972	1.5
83.08607	5.1
85.06583	1.3
87.04442	2.0
91.05476	8.7
93.07046	30.8
95.04980	1.6
95.08605	29.1
97.06520	3.8
97.10147	2.5
98.23335	2.9
105.07021	11.7
107.08591	48.5
109.06533	1.4
109.10153	51.0
110.10455	1.4
111.08074	3.8
119.08592	10.2
121.10147	39.7
123.08121	2.2
123.11700	48.2
124.12041	1.5
125.09615	3.6
131.08571	2.6
133.10112	8.0
135.08044	3.4
135.11688	23.2
137.09607	16.8
137.13229	5.1
139.07518	1.9
139.11183	17.3
145.10114	3.1
147.11673	4.2
149.09602	7.5
149.13254	75.1
150.10362	3.2
150.13589	3.4
151.07571	1.4
151.11172	4.2
153.09067	1.9
159.11661	2.5
161.09705	1.2
161.13254	3.9
163.11206	3.4
163.14832	11.6
165.09048	5.9
165.12708	1.6
167.10684	9.8
173.13242	2.1
175.11298	1.8
175.14828	2.8
177.09073	1.5
177.12723	1.7
177.16389	3.9
179.10649	2.6
181.08623	1.3
187.14807	1.4
189.12663	1.5
189.16389	2.0
191.10658	5.3
191.14284	2.8
191.17879	7.1
193.12262	4.5
195.10249	1.4
195.13907	1.6
203.17990	4.1
205.15837	1.7
205.19524	18.7
207.13774	5.8
207.17368	1.8
209.11684	1.3
209.15378	7.6
215.17867	1.6
217.15884	1.9
219.13771	1.9
221.11906	1.5
221.15276	1.2
228.78471	1.4
233.15445	1.8
233.18980	1.4
235.13306	14.5
235.16910	2.0
237.14845	69.3
238.15128	4.3
249.14807	6.6
251.16524	7.2
259.24310	1.3
261.14890	23.3
277.17999	5.0
289.18124	1.8
303.19479	5.0
305.21027	5.3
333.24292	4.0
379.47556	1.2
423.36066	4.0
441.33560	100.0
442.34021	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	441.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.5
55.05505	7.3
57.07064	5.1
59.04987	3.8
67.05508	11.8
69.03410	3.2
69.07065	11.6
70.75459	1.1
71.04986	1.7
79.05502	8.4
81.07058	25.9
83.04989	2.8
83.08611	3.8
86.61929	1.2
87.04462	2.9
91.05479	7.1
92.99730	1.2
93.07048	26.5
95.04980	1.3
95.08604	23.0
95.35954	1.0
97.06524	5.8
97.10175	3.5
99.50770	1.2
105.07037	8.2
107.08595	32.7
109.06512	3.0
109.09417	2.4
109.10155	34.5
110.10497	1.4
111.08079	4.9
119.08577	6.3
121.06471	1.3
121.10139	35.6
123.08065	2.5
123.11710	31.5
125.09598	2.5
131.08557	2.1
133.10109	4.9
135.08063	2.9
135.11696	20.5
137.09596	15.7
137.13237	3.2
139.07460	2.3
139.11177	25.1
145.10132	2.1
147.07961	1.3
147.11670	2.7
149.09616	8.8
149.13255	43.9
150.10425	6.5
150.13634	2.2
151.11128	4.7
151.14790	1.2
159.11714	1.4
161.09573	1.4
161.13240	2.5
163.11255	2.1
163.14822	6.8
167.10693	16.7
168.11063	1.7
171.05647	1.1
173.13274	3.8
175.14812	1.6
179.14053	1.5
189.16379	1.9
191.10617	2.7
191.14272	7.1
191.17934	3.7
193.12202	2.6
195.10184	3.5
203.17975	2.0
205.19542	19.1
207.13757	3.6
209.15356	14.6
221.15253	1.4
235.13312	14.9
237.14854	100.0
238.15205	5.2
249.14848	2.6
251.16483	4.3
261.14828	11.0
274.01657	1.3
277.18045	1.4
303.19592	2.9
305.21033	2.0
333.24127	1.5
381.11172	1.4
441.33569	49.6
442.33923	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	441.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.6
55.05519	5.2
57.07051	2.7
59.04993	4.3
67.05502	7.9
69.03407	2.9
69.06757	0.8
69.07065	7.5
69.50662	0.7
71.04975	1.2
76.23401	0.7
79.05119	0.8
79.05490	9.9
81.07056	25.3
83.04982	3.4
83.08604	4.4
87.04458	3.4
88.11520	0.7
89.71735	0.7
91.05481	5.1
93.07042	23.5
95.04910	0.7
95.08603	24.1
97.06527	6.0
97.10180	3.2
105.07029	6.2
107.04951	0.9
107.08591	19.4
109.06485	1.6
109.09415	1.3
109.10146	19.3
111.08109	5.2
111.11700	1.1
119.08594	4.3
121.06447	1.4
121.10143	53.3
122.10427	1.8
123.08056	1.9
123.10878	1.1
123.11693	11.7
125.05962	1.5
125.09601	3.1
131.08536	1.8
133.10100	3.9
135.08063	2.6
135.10764	1.2
135.11690	16.5
137.09618	14.8
137.13271	1.5
139.07532	2.4
139.11179	26.6
140.11525	0.9
145.10091	1.8
147.08047	0.8
147.11697	3.2
149.09618	10.6
149.12109	1.5
149.13252	21.7
150.10387	8.1
151.11124	3.8
151.19772	0.8
153.09041	1.3
158.10933	1.0
159.11665	1.6
161.09645	1.5
161.13260	0.9
163.11212	1.1
163.14766	3.5
165.09103	1.8
167.10684	16.5
173.13264	3.0
175.14862	1.4
177.09084	1.5
177.12648	0.9
177.16414	7.4
179.10655	2.4
181.12270	1.5
189.16403	0.8
191.14294	5.2
191.17877	5.3
193.12207	2.2
193.15883	3.1
195.10132	3.0
195.13768	1.1
201.16383	1.7
203.17903	1.6
205.19518	23.4
206.19797	1.2
207.13762	1.4
209.11778	1.3
209.15366	12.5
219.13885	1.8
221.15344	2.4
235.13292	11.5
237.14845	100.0
238.15169	5.3
249.14799	6.9
249.80075	0.7
251.16423	8.0
259.24158	1.8
261.14914	0.9
263.16345	1.4
265.18021	1.8
352.85999	0.7
357.24139	1.0
359.25720	1.6
385.27328	2.3
423.32492	3.9
441.33621	87.6
442.33899	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	441.3362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.4
53.90978	1.2
55.05513	7.8
56.66142	1.3
57.07065	3.7
59.04987	2.6
65.03932	1.7
67.05506	16.6
69.03419	3.4
69.07060	15.7
69.50639	3.3
69.51048	4.5
71.05008	1.9
79.05489	13.2
81.07050	36.3
82.93774	1.2
83.04974	3.4
83.08611	6.0
87.04463	5.6
91.05489	7.0
91.05974	1.4
93.07041	32.7
95.08031	2.5
95.08603	39.0
97.06546	9.2
97.10169	3.4
98.22626	1.4
105.07042	10.6
107.08586	33.7
109.06529	2.1
109.10154	33.3
111.08067	8.9
111.11775	1.3
119.08569	8.5
121.06487	2.8
121.10146	44.9
122.10500	2.4
123.08076	3.9
123.11698	16.3
124.12013	1.7
125.05994	2.4
125.09619	4.1
131.08575	2.8
133.10101	6.7
135.08026	3.0
135.11682	28.9
137.09601	18.2
137.13298	2.9
139.07526	4.3
139.11177	28.3
145.10139	3.1
147.11693	5.9
148.48914	1.3
149.09560	10.7
149.13257	27.6
150.10405	5.7
150.13649	1.4
151.11189	5.2
153.09105	3.2
153.12744	2.7
159.11665	2.6
161.09615	4.3
161.13145	2.2
163.11180	3.7
163.14836	6.6
165.09183	1.5
165.12724	1.7
167.10677	17.7
173.13310	3.7
175.11124	2.2
175.14749	2.2
177.16365	16.9
179.10677	4.2
181.12209	1.9
187.15004	1.7
189.16319	1.7
191.14272	7.5
191.17914	9.6
193.12242	1.9
193.15903	4.2
195.10150	3.6
195.13780	2.2
203.17943	2.4
205.19516	26.6
207.13869	1.6
209.11729	1.9
209.15337	12.3
221.15324	3.6
235.13222	14.3
237.14844	87.2
238.15204	3.7
249.14796	11.0
251.16455	15.1
263.16464	2.3
265.18115	2.3
359.26004	1.5
385.27469	6.4
423.31812	1.6
423.36780	2.1
441.33524	100.0
442.33990	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	441.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	0.9
55.05489	3.0
57.07045	2.2
59.04998	3.4
64.73021	0.7
67.05504	6.9
69.03403	3.2
69.07068	6.7
70.82935	1.5
79.05490	7.2
81.07057	22.4
81.65969	0.7
83.04955	2.3
83.08588	2.9
87.04471	4.3
87.16526	0.7
90.06947	0.6
91.05480	4.7
93.07046	20.7
95.08034	1.3
95.08601	18.2
97.06529	6.3
97.10136	2.3
105.07017	6.3
107.07945	1.0
107.08592	14.4
108.08826	0.8
109.06440	1.2
109.10162	12.8
111.08062	3.0
111.11625	1.0
119.08570	4.4
121.06492	1.4
121.10145	50.8
122.10437	2.2
123.08024	2.4
123.11692	8.8
125.05970	1.1
125.09596	2.5
131.08533	1.8
133.10150	3.3
135.08020	2.8
135.11688	12.4
137.09622	14.0
137.13206	1.3
139.07515	2.4
139.11174	27.4
140.11540	1.0
145.10132	1.8
147.08058	0.8
147.11655	1.9
149.09616	10.6
149.12125	1.0
149.13251	16.2
150.10419	7.1
150.13510	0.8
151.11099	2.4
153.09116	1.4
153.12685	0.9
163.11157	0.9
163.14844	3.6
165.12691	0.8
167.10667	13.7
173.13232	3.1
175.14824	1.0
177.09106	0.9
177.16351	5.0
177.62070	0.8
179.10680	1.7
181.12189	1.0
191.12804	0.8
191.14334	8.0
191.17928	2.6
193.12268	1.1
193.15831	4.1
193.66531	0.6
195.10129	1.7
195.13753	2.3
201.16516	1.0
203.17874	1.6
205.19521	23.6
206.19957	1.2
207.13768	1.0
209.15361	13.9
219.13820	1.4
221.15379	1.5
235.13295	9.8
237.14841	100.0
238.15166	6.2
249.14894	4.1
251.16362	4.0
259.24237	0.9
328.80716	0.9
337.89886	0.8
348.27191	0.7
357.24469	1.0
385.27225	1.6
388.10522	0.7
423.32477	3.1
441.33621	83.6
442.33936	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	441.3365
Annotation	Pfaffic acid
Peak:m/z	Relative Intensity
50.59726	1.4
55.05508	11.9
57.07082	12.4
58.29177	1.5
63.27373	1.4
67.05506	14.4
69.07062	15.5
71.08604	2.0
72.66083	1.6
75.04490	1.7
79.05492	11.6
81.07056	33.2
81.42792	1.5
83.04942	4.4
83.08635	7.2
85.06510	4.3
87.04450	3.0
91.05482	7.7
93.07039	23.8
95.08603	39.4
97.10155	3.1
99.08054	2.0
105.07028	16.3
107.08586	33.2
109.06468	4.7
109.10156	24.0
110.10482	2.0
111.08064	2.3
111.11690	1.8
113.09632	1.5
117.06954	2.6
119.08575	26.5
120.08931	1.6
121.06503	1.7
121.10143	28.1
123.08011	3.1
123.11695	11.9
125.09586	3.2
127.11202	2.1
129.06885	1.8
131.08574	13.6
133.10139	20.5
135.07997	5.0
135.11699	23.1
137.09540	4.1
137.13217	3.1
139.11179	2.0
141.12691	2.0
143.08469	5.1
144.09306	2.2
145.10124	14.8
147.07980	2.8
147.11682	14.4
149.09616	3.1
149.13268	8.2
151.11096	1.6
157.10121	7.0
157.26891	1.7
159.11665	13.4
161.09544	3.3
161.13251	8.8
163.11099	3.0
163.14711	4.9
165.09090	1.8
169.09966	3.3
171.11565	5.5
173.09593	2.6
173.13248	11.9
175.11163	3.7
175.14845	9.7
177.12698	2.2
177.14967	1.7
177.16382	20.5
183.10115	1.6
183.11591	4.2
185.13098	2.3
187.14789	12.9
189.12747	2.4
189.16359	17.7
191.14230	3.5
191.17812	5.2
197.13150	3.6
199.14728	4.2
201.16376	11.6
203.14186	2.4
203.17856	4.2
205.15645	4.2
207.17422	9.2
211.14781	2.2
213.16212	3.8
215.14171	4.5
215.17873	5.0
217.15808	3.6
219.13719	5.5
219.17441	46.2
220.17685	1.6
227.17825	2.5
229.19389	2.7
233.18881	4.2
235.09543	3.0
235.14326	1.6
237.14700	1.6
241.19359	2.2
243.21106	1.7
251.13940	1.6
253.10515	5.4
253.19212	2.1
261.22025	1.9
266.16455	2.1
271.20511	1.5
279.23166	3.8
281.18903	3.0
297.24158	2.7
299.19916	2.3
377.31927	2.0
395.32764	5.9
405.31189	4.5
423.32477	100.0
424.32648	9.8
441.33127	73.3
442.33496	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	441.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.5
55.05515	5.3
57.07055	2.8
59.04980	2.0
67.05503	9.4
69.03434	2.3
69.07067	9.4
71.04976	1.5
79.05494	5.9
81.07058	18.5
83.04984	1.4
83.08604	4.2
87.04452	4.4
91.05445	4.1
92.32628	0.9
93.06563	1.4
93.07050	19.3
95.04948	1.0
95.08029	1.8
95.08603	22.5
97.06504	4.5
97.10143	3.3
102.18799	0.9
105.07032	7.3
107.07938	1.5
107.08598	20.4
109.06511	2.7
109.10159	20.1
110.88892	1.0
111.08131	4.6
111.11704	1.2
119.08584	5.0
121.06437	1.8
121.10142	24.8
123.08072	2.1
123.11716	11.6
125.05962	1.5
125.09588	2.7
131.08546	2.9
133.10075	3.5
135.07997	2.8
135.11685	12.1
137.09599	14.8
137.13235	3.2
139.07497	2.4
139.10191	1.8
139.11183	23.0
139.12224	0.9
140.11542	1.1
144.48827	1.0
145.10098	2.4
147.08047	1.1
147.11668	2.4
149.09628	8.9
149.13252	16.9
150.10403	6.4
150.13589	1.1
151.11162	2.2
153.09108	2.7
158.10930	1.1
159.11688	1.1
161.09581	1.8
163.14789	5.3
167.10649	14.7
167.14308	1.1
172.38129	1.0
173.13194	3.4
175.11139	1.2
175.14868	1.0
177.09068	1.1
177.16420	2.2
179.10643	1.2
191.10634	2.5
191.14313	5.7
191.17899	3.0
193.12108	2.3
195.10095	2.5
201.12497	0.9
201.16342	1.1
203.17972	1.4
205.19566	8.2
207.13751	1.9
209.11703	1.5
209.15309	10.0
219.13741	1.2
235.13240	11.4
237.14853	100.0
238.15132	4.9
247.38266	1.2
249.14934	5.2
251.16351	4.5
261.14716	4.1
263.16467	2.1
265.17993	1.2
277.18057	2.2
287.23660	1.2
291.19479	1.2
359.25800	1.8
396.31903	1.1
413.85239	1.3
441.33401	55.0
442.33578	5.3
451.74854	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3723
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
55.01878	2.3
55.05508	21.0
57.07063	7.5
59.04993	2.7
62.10768	1.4
67.05145	3.3
67.05499	42.7
69.07061	32.0
70.99596	2.9
71.04989	27.6
73.06525	3.1
77.03860	2.0
79.05487	20.8
81.07051	62.1
83.04970	2.5
83.08614	17.4
85.06516	3.9
85.10197	1.7
91.05471	17.9
93.07038	45.0
95.04980	3.5
95.08599	75.9
96.08942	4.0
97.06526	4.0
97.10169	6.6
99.08086	11.6
105.07028	34.7
107.08585	74.7
108.08958	1.7
109.10151	100.0
109.32446	1.7
110.10520	2.2
111.08079	5.7
111.11681	3.6
113.09640	3.7
117.07014	5.6
119.08575	48.6
120.97005	1.7
121.06530	1.9
121.10136	62.3
123.08059	7.2
123.11697	30.1
125.09616	6.4
125.13277	5.1
127.11190	15.2
129.07039	3.6
131.08546	13.7
132.49940	1.7
133.10120	42.0
135.08044	6.3
135.11670	26.3
137.09601	4.4
137.13249	11.3
139.11143	4.5
142.07811	1.9
143.08565	12.7
144.09344	3.4
145.10129	31.8
147.11670	36.8
148.12076	2.4
149.13261	20.8
151.11172	6.6
153.12708	11.2
156.09300	2.4
157.10149	15.5
158.10889	2.0
159.11684	38.2
159.12914	3.0
160.12256	2.2
161.09644	2.6
161.13269	26.5
163.11188	7.5
163.14816	10.1
165.12784	4.1
169.10110	2.9
170.10783	1.8
170.30772	1.7
171.11681	16.2
173.13235	25.4
175.11221	3.0
175.14845	12.7
177.12830	13.1
177.16373	20.4
179.14388	2.6
183.11676	4.1
185.13229	17.9
187.14789	37.7
189.12723	4.4
189.16324	9.1
191.14355	3.5
191.18030	3.7
193.15855	3.7
195.17438	32.2
197.13373	2.5
197.18970	2.4
199.14822	9.3
201.16350	13.2
203.14351	5.8
203.17943	8.9
205.15912	3.3
207.17332	1.9
211.20511	9.8
213.16347	18.9
215.17992	6.5
217.15875	2.8
217.19563	5.4
225.16386	2.1
227.17928	41.4
228.18564	4.7
229.19492	19.9
230.19897	2.4
231.17438	20.8
232.17845	2.6
233.19012	6.5
239.17973	2.5
241.19537	4.9
245.19006	67.7
246.19527	4.8
247.20509	9.1
255.21066	4.4
269.22772	2.7
283.24298	3.2
289.25284	2.6
301.25516	2.6
353.28281	2.9
355.29892	4.1
369.31229	2.3
405.35406	2.7
417.20575	1.8
423.36343	54.3
424.36588	7.6
441.37326	98.6
442.37689	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	441.3729
Annotation	21alpha-Hydroxyonocera-8(26),14-dien-3-one
Peak:m/z	Relative Intensity
55.05507	17.5
56.45452	2.1
57.07061	9.4
59.04992	3.6
59.91997	2.3
60.67376	2.1
65.03934	3.1
67.05502	34.5
69.03418	5.3
69.07064	35.3
69.25732	11.7
69.26148	5.5
71.04989	19.1
71.08633	3.9
77.40497	2.2
79.05486	24.5
81.07054	68.4
83.04958	5.4
83.08615	14.5
91.05466	17.5
91.05943	2.6
93.07035	44.1
94.07365	3.4
95.08601	83.3
96.08943	5.3
97.06525	4.6
97.10158	8.6
99.08088	10.7
105.07022	32.2
106.07360	3.4
107.08588	59.7
108.08923	6.0
108.42493	1.9
109.06535	3.6
109.10150	100.0
110.10494	4.7
111.08064	6.1
111.11696	3.3
117.07053	4.7
117.09800	2.3
117.18852	2.1
119.08569	50.8
120.08906	5.6
121.06484	4.2
121.10138	68.2
122.10461	3.5
123.08071	5.9
123.11694	26.6
124.12082	2.3
125.09648	11.8
125.13303	3.0
127.11191	16.2
128.06229	3.6
131.08563	11.7
133.10123	39.8
135.08055	5.1
135.11674	38.6
136.12025	3.8
137.09625	6.7
137.13252	11.9
139.07556	4.0
139.11168	5.4
141.12688	2.4
142.07805	2.8
143.08539	10.8
144.09386	3.5
145.10103	24.7
146.10468	2.7
147.11664	33.3
148.12004	4.4
149.09534	3.3
149.13278	25.7
150.13571	3.2
151.11150	5.9
151.14873	4.4
153.12744	8.8
156.09334	2.7
157.10094	14.2
158.10913	3.0
159.11682	38.6
161.09656	3.3
161.13249	23.8
163.11182	10.1
163.14806	10.7
165.12740	6.3
166.16901	2.3
171.11673	14.8
173.13194	18.7
175.14807	17.0
176.15128	3.3
177.12749	9.7
177.16393	20.7
183.11700	4.4
185.13243	11.8
187.14780	27.6
188.15269	3.8
189.12709	5.1
189.16389	14.1
190.16747	3.1
191.14313	3.6
191.17937	9.2
193.15831	2.9
195.17451	18.8
199.14806	7.6
201.12759	5.7
201.16298	13.7
203.14313	6.8
203.17949	16.2
204.18224	4.7
205.15919	4.4
211.20607	6.2
213.16354	16.5
215.17914	10.8
216.18202	3.7
217.19478	6.9
219.17426	5.9
220.14375	2.7
225.16249	3.6
227.17966	28.2
228.18593	5.1
229.19493	17.2
231.17355	17.1
231.20934	4.6
233.18958	4.8
245.18997	48.7
246.19408	3.0
247.20529	6.5
255.20973	2.9
257.19086	2.5
273.22159	4.1
283.24246	4.1
287.23569	3.7
355.29993	4.4
423.36359	42.0
424.36530	6.3
441.37976	70.9
442.37637	8.3
463.31540	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	11.4
57.07078	8.6
59.05005	3.8
67.05502	26.8
69.03438	4.7
69.07067	29.2
69.45354	6.7
69.45777	4.3
71.08601	1.6
78.32310	1.9
79.05495	15.9
81.06577	3.4
81.07056	65.2
83.04969	4.4
83.08621	11.1
87.04469	6.2
91.05466	13.2
93.07045	43.1
94.07379	2.4
95.04978	5.1
95.08604	75.9
96.08949	3.3
96.85882	1.7
97.06542	7.9
97.10179	8.0
98.23304	2.3
99.08097	8.1
105.07032	17.5
107.04987	1.8
107.08592	72.8
109.06513	7.0
109.10155	85.0
111.08045	8.8
111.11730	10.5
117.07011	2.8
119.08575	25.1
121.06507	4.8
121.10143	69.2
122.10474	3.3
123.08074	4.6
123.11707	45.1
125.05960	2.4
125.09612	7.0
131.08559	5.1
133.10126	20.6
135.08040	9.8
135.11694	42.2
137.09625	25.5
137.13237	14.7
139.07559	5.4
139.11168	26.0
145.10089	11.0
147.11662	13.0
149.09622	15.4
149.13255	82.6
150.10362	7.1
150.13649	2.7
151.11191	6.2
151.14832	2.9
153.09142	2.6
156.20757	1.9
157.10185	2.9
159.11665	14.0
161.09547	2.8
161.13249	10.1
163.11197	8.2
163.14809	13.5
165.12839	3.4
165.16425	3.3
167.10683	20.9
168.11157	2.9
171.11746	3.2
173.13216	9.7
175.11092	3.0
175.14854	7.0
177.09348	2.3
177.12712	4.4
177.16379	10.5
179.10707	3.4
179.14264	2.9
179.17972	2.4
185.13301	2.7
187.14844	10.9
189.12785	2.8
189.16371	12.8
191.10724	4.2
191.14374	6.0
191.17940	12.7
193.12244	5.8
193.15919	3.0
195.10132	3.3
195.13904	2.2
199.14867	4.0
201.16322	3.2
203.17998	11.8
205.19530	14.8
207.13846	7.5
207.17516	3.6
209.15340	15.1
213.16409	5.3
215.17981	6.0
217.19563	3.5
219.13867	2.5
219.17491	7.2
221.15457	2.4
223.16917	2.5
227.17969	2.3
229.19530	4.2
231.17400	2.1
235.13318	19.9
235.16968	2.4
236.13652	2.8
237.14861	88.7
238.15221	5.8
243.21165	4.2
245.22549	2.3
249.14908	7.6
251.16406	7.9
255.21005	3.1
257.22821	2.2
261.14795	12.0
261.22113	2.4
263.16431	3.1
269.22598	9.9
271.24240	2.1
277.17960	4.7
283.24176	2.9
287.23694	69.2
288.24023	5.8
301.25220	5.6
303.19473	5.4
305.20953	3.4
325.28784	5.1
333.24258	4.9
405.35342	3.9
423.36374	22.5
441.33176	81.1
441.37488	100.0
442.33243	8.2
442.37708	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	441.3725
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
51.02362	0.7
53.03936	0.9
55.05508	6.4
57.03387	0.7
57.07043	1.7
62.13894	0.6
62.83954	0.5
64.71761	0.6
65.03917	1.0
67.05502	25.8
68.05821	0.7
69.03415	1.0
69.06716	1.1
69.07067	16.8
69.36428	4.0
71.04971	0.7
79.05492	6.5
81.07056	21.2
81.88761	0.5
83.04968	2.3
83.08622	4.2
85.06531	1.3
86.06342	0.6
89.27922	0.6
91.05484	5.8
93.07044	12.8
95.04967	3.1
95.08604	21.3
96.08936	1.3
97.06509	2.4
97.10171	1.8
99.08083	1.7
105.07029	13.7
107.04945	0.7
107.08587	20.3
109.06494	3.0
109.10155	100.0
110.10487	3.2
111.08083	2.1
111.11705	1.2
117.07015	1.6
119.08575	17.1
121.06529	1.0
121.10145	17.2
123.08045	1.4
123.11710	10.0
123.12528	1.0
125.09632	1.6
129.07100	0.7
131.08571	6.0
133.10123	12.5
134.10510	0.8
135.08055	2.2
135.11682	12.3
136.12033	0.7
137.09660	1.7
137.13257	3.9
139.11192	0.9
142.07790	0.8
143.08594	2.1
144.09380	0.8
144.63942	0.5
145.10127	8.9
147.08080	1.0
147.11682	11.0
148.12035	0.8
149.09612	1.3
149.13278	6.0
151.11171	5.4
151.14806	1.0
153.09122	1.0
153.12790	1.0
155.08662	0.7
157.10121	3.0
159.08240	0.6
159.11703	8.2
161.09673	1.3
161.13266	7.9
163.11238	1.6
163.14822	5.9
165.12813	0.7
169.10135	1.0
171.11714	2.6
173.13240	7.3
175.11171	1.1
175.14803	7.3
176.15326	0.6
177.12840	1.7
177.16463	2.6
179.14319	1.2
183.11763	1.2
185.13309	2.1
187.14795	6.1
189.12903	0.7
189.16389	7.1
190.16927	0.9
191.14305	0.7
191.17944	9.3
192.18355	0.7
197.13445	1.1
199.14786	3.1
201.12810	0.9
201.16322	5.1
202.16815	0.9
203.14394	1.6
203.17957	4.7
205.15918	1.4
207.17519	2.6
211.14917	0.9
213.16547	2.4
215.14444	1.0
215.17937	6.0
217.12396	0.8
217.16010	1.4
217.19676	2.0
219.17421	2.1
223.15065	0.8
227.17998	1.5
229.19696	2.1
231.21268	1.0
233.15361	1.4
233.19145	2.5
243.21310	2.0
245.19055	0.7
255.21309	0.8
257.22827	1.8
261.22543	0.8
271.20645	0.8
271.24353	0.8
297.25760	0.8
299.27628	0.9
299.96753	0.6
353.53494	0.8
355.30289	1.0
373.31320	1.2
377.32687	1.1
383.25793	1.0
385.31522	1.7
395.33279	1.0
405.31342	0.8
405.35803	1.2
423.36789	9.4
424.37054	1.4
441.37790	34.7
442.38272	4.1
445.20865	0.6
456.17783	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3726
Annotation	12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoic acid
Peak:m/z	Relative Intensity
53.03939	4.4
55.05508	14.3
57.07067	5.0
59.05001	3.3
65.03949	2.7
67.05499	26.6
69.03410	2.4
69.07069	29.9
69.71692	3.2
69.72107	5.9
71.04990	3.3
79.05482	22.0
79.89004	1.7
81.07050	59.6
83.04981	1.9
83.08609	12.9
85.06546	14.2
87.89963	1.7
91.05467	19.7
93.07037	56.9
94.07391	2.1
95.08601	100.0
96.08951	3.4
97.06525	3.9
97.10168	9.7
98.23294	2.1
99.08089	2.7
102.25319	1.5
105.07025	45.8
107.08586	78.0
108.08924	2.3
109.06505	3.5
109.10148	73.4
110.31513	1.7
111.08083	8.1
111.11740	3.1
113.09641	7.2
117.07011	4.9
119.08573	58.2
119.09407	3.1
120.08913	2.1
121.06484	2.5
121.10129	73.0
122.10452	2.0
123.08068	4.8
123.11699	26.3
125.09628	5.5
127.11215	1.9
129.07034	2.5
131.08577	13.8
133.10129	47.4
135.08098	3.6
135.11679	51.4
137.13263	7.5
139.11168	3.0
143.08565	5.5
145.10115	30.3
147.11678	34.0
148.12057	2.7
149.09613	3.2
149.13246	31.8
151.11206	3.7
151.14876	1.9
157.10130	8.7
159.11691	31.0
161.13252	34.3
162.13605	3.9
163.11302	3.5
163.14819	37.2
165.12753	4.2
171.11713	7.0
173.13240	21.3
175.11279	2.6
175.14824	33.4
177.12813	2.8
177.16389	16.8
179.14372	4.4
185.13232	5.3
187.14853	19.7
189.16383	32.0
190.16704	3.2
191.14386	11.3
191.17931	63.6
192.18263	4.3
193.15852	4.2
199.14821	8.1
201.16371	24.3
203.14334	2.8
203.17940	29.1
204.18300	2.0
205.15880	7.4
205.19467	11.3
207.17456	9.8
211.14821	2.6
213.16396	4.3
215.17935	29.2
216.18391	2.7
217.16045	4.9
217.19485	12.4
219.17464	7.6
221.19008	2.5
225.16473	2.0
227.18057	4.8
229.19478	9.5
231.17400	5.4
231.21103	5.6
233.18985	20.9
234.19359	2.5
241.19644	2.5
243.21086	5.6
245.18877	2.6
245.22751	2.2
247.20645	4.4
255.20909	2.3
261.22107	2.3
263.19748	2.2
269.22339	2.4
275.23553	2.4
287.23724	2.7
297.25781	4.1
395.36743	6.0
405.35110	6.0
407.32956	3.4
423.36414	57.7
424.36920	8.6
441.32214	6.5
441.38080	44.1
442.37463	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	441.3727
Annotation	12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoic acid
Peak:m/z	Relative Intensity
53.03946	0.4
55.05508	3.0
57.07058	0.9
59.04998	0.4
63.31256	0.3
65.03931	0.3
67.05502	19.0
69.03430	0.5
69.07065	4.8
69.21177	2.0
69.21578	0.3
71.04977	0.7
73.96986	0.3
74.10056	0.3
79.05487	3.7
81.07050	11.2
82.07396	0.3
83.04970	0.5
83.08623	2.5
85.06549	0.6
91.05486	3.0
93.07044	7.1
95.04967	1.0
95.08601	13.5
96.08972	0.3
97.06528	1.0
97.10175	0.8
99.04442	0.6
99.08047	0.3
103.05447	0.4
105.07023	6.8
107.08590	12.1
108.08888	0.5
109.06505	1.2
109.10150	100.0
110.10495	3.5
111.08073	1.0
111.11767	0.4
113.09624	0.4
117.07021	1.0
119.08574	10.7
120.08898	0.3
121.06534	0.6
121.10142	8.9
122.10455	0.5
123.08086	0.9
123.11694	4.5
124.12000	0.3
125.09644	0.6
129.07016	0.6
131.08560	3.6
133.10110	6.4
135.08037	1.9
135.11679	5.9
136.12025	0.5
137.09618	0.8
137.13281	0.9
143.08562	1.6
145.10115	4.9
145.11201	0.4
147.08028	0.3
147.11668	5.7
148.11998	0.3
149.09613	1.1
149.13248	3.6
151.11166	1.5
153.09154	0.6
155.08568	0.8
156.09344	0.5
157.10066	1.8
159.08018	0.4
159.11699	5.4
161.09639	1.2
161.13234	4.3
163.11188	0.6
163.14815	2.9
165.12762	0.6
169.10167	0.6
171.10384	0.4
171.11647	1.9
173.09598	0.4
173.13248	4.2
175.11298	0.6
175.14783	3.2
177.12834	0.5
177.16397	1.2
179.14302	0.7
181.10065	0.3
183.11658	0.5
185.13277	1.4
187.11177	0.3
187.14815	3.2
189.12708	0.6
189.16394	3.2
191.14339	0.4
191.17952	4.5
195.11786	0.6
197.13242	0.6
199.11205	0.6
199.14755	1.4
201.12848	0.4
201.16344	4.1
201.18042	0.3
203.14336	1.0
203.18011	2.2
205.15865	1.3
207.17517	1.2
211.14944	0.3
213.16373	1.4
215.14539	0.6
215.17949	4.4
217.15941	0.6
217.19615	1.1
219.13828	0.4
219.17468	0.7
221.18776	0.4
225.16273	0.4
227.17921	0.6
229.19412	0.6
231.17461	0.4
231.21034	0.5
233.19096	0.9
235.17111	0.3
236.14922	0.3
239.18042	0.5
241.19608	0.8
243.20952	0.4
253.19553	0.6
255.21298	0.4
257.19034	0.4
257.22668	0.7
269.22916	0.3
283.24152	0.5
295.24530	0.3
365.28482	0.6
377.32193	1.3
383.29382	0.5
395.33246	1.0
405.31281	0.7
405.35715	1.4
406.35858	0.4
423.24185	0.3
423.36789	5.2
424.36746	0.6
441.37439	37.5
442.31891	0.5
442.37747	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	441.373
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51165	2.5
53.03964	3.1
55.05513	18.2
57.05920	2.7
57.07077	14.7
67.05504	27.9
69.03418	5.8
69.07072	38.2
69.26594	9.5
69.27020	10.1
71.04980	3.6
71.08638	3.9
75.48900	2.5
79.05117	3.1
79.05492	16.7
81.07063	55.7
83.05004	9.5
83.08620	22.3
85.06569	8.6
85.10186	2.5
87.04485	6.0
91.05455	18.2
93.07046	45.7
95.04990	7.1
95.08607	100.0
95.09223	5.1
96.09032	2.4
97.06538	5.9
97.10160	15.0
102.05528	3.6
104.07123	9.1
105.07027	35.8
107.08601	63.3
109.06519	5.4
109.10159	52.6
111.08103	4.0
111.11749	7.5
117.07014	2.7
119.08574	55.3
121.06518	4.4
121.10155	55.0
121.10995	5.1
122.10570	3.1
123.08062	5.5
123.11703	37.8
125.09624	5.3
129.07039	3.5
131.08553	14.8
133.10132	44.2
135.08121	3.9
135.11700	47.6
137.09621	16.2
137.13274	8.9
138.78577	2.8
139.11226	3.8
143.08583	7.3
145.10088	20.6
147.08047	5.9
147.11688	22.5
148.12042	2.5
149.09665	8.7
149.13255	21.4
151.11226	4.9
156.09338	3.4
157.10159	8.0
159.11705	18.4
161.09645	5.7
161.13229	21.3
163.11191	6.5
163.14845	18.4
169.10150	3.3
171.11740	8.0
173.13245	13.1
175.11211	5.2
175.14845	44.8
177.12875	4.5
177.16454	11.7
185.13246	7.1
187.14879	15.2
189.16359	23.3
191.14323	4.3
191.17990	5.3
193.15810	2.6
199.14917	3.5
201.16443	8.2
203.14388	9.0
203.17969	69.0
204.18311	5.5
205.15915	4.7
205.19455	3.6
207.17542	5.6
211.14761	4.3
213.16429	6.3
215.17973	5.3
217.15924	5.8
217.19594	4.6
219.17480	7.7
221.11639	3.1
227.17928	3.7
229.19600	4.9
236.70796	2.3
241.15858	2.5
257.18930	3.6
287.23676	6.5
293.28381	3.8
395.33035	5.7
396.34421	3.2
405.31180	4.1
420.16599	2.8
423.31686	16.2
441.32660	17.8
441.38281	70.2
442.37512	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	441.3727
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
53.03937	4.1
55.05513	15.3
57.07080	6.9
57.73536	1.7
59.04990	1.8
65.03945	2.2
66.67882	1.9
67.05505	31.6
68.03735	2.0
69.07066	40.4
69.29223	15.5
71.08639	2.4
77.53629	2.1
79.05492	14.1
81.07056	58.6
83.08611	10.2
87.04465	3.4
91.05485	12.4
93.07045	36.7
95.04986	3.2
95.08605	100.0
97.06538	4.0
97.10172	9.0
105.07027	27.6
107.08596	58.6
108.08949	2.3
109.06514	2.4
109.10158	69.7
109.10901	4.4
111.08102	6.0
111.11732	8.5
117.07043	4.3
119.08588	44.7
120.08952	2.7
121.06519	6.8
121.10145	56.7
123.08098	6.1
123.11697	26.4
131.08589	14.2
133.10126	35.4
135.08034	3.2
135.11694	29.3
136.12085	2.3
137.09637	4.3
137.13258	16.6
139.11142	3.4
142.07747	3.7
143.08560	5.9
145.10112	15.9
147.08083	3.2
147.11693	20.1
149.09647	7.2
149.13263	20.5
151.11159	2.4
151.14851	3.2
154.51956	2.1
156.09363	4.9
157.10126	10.6
159.11725	16.3
161.09578	3.8
161.13269	16.5
163.14822	17.1
169.10146	2.9
171.11720	10.9
173.13264	16.3
174.13957	2.3
175.11183	4.1
175.14792	13.2
177.12811	2.1
177.16422	12.8
183.11708	2.5
185.13216	7.0
187.14816	14.5
189.16373	16.3
191.14310	3.6
191.17938	19.7
193.12291	5.4
193.15910	3.7
197.13226	3.0
199.14870	9.5
201.16377	9.7
203.14420	3.8
203.17918	11.0
205.15826	5.3
205.19499	12.5
206.19608	2.0
207.17456	7.5
213.16425	8.0
215.17975	8.1
217.15857	7.6
217.19547	8.8
219.17462	11.1
219.20988	3.7
225.16267	2.2
227.17940	2.5
229.19545	7.2
231.17545	4.3
231.21051	11.3
232.40361	2.4
235.16965	8.1
237.14841	9.2
243.21120	3.0
245.22644	7.7
255.20908	3.3
259.20370	2.6
267.20920	2.7
269.22720	2.9
271.24149	3.4
277.21512	4.5
283.24374	2.5
295.24472	2.7
335.27286	2.4
337.28671	2.9
355.32968	2.2
395.33105	3.0
405.30826	2.8
405.35339	28.6
406.35315	5.2
423.36783	20.8
441.32321	11.2
441.38074	68.9
442.37561	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	441.3729
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
53.03955	0.8
55.05512	5.8
57.03450	0.5
57.07092	2.2
59.05000	0.7
60.98281	0.4
65.03960	0.7
67.05505	8.7
69.03427	0.8
69.07069	9.2
69.54732	0.3
71.05010	0.7
79.05497	6.7
80.75912	0.4
81.07056	17.1
82.07395	0.6
83.04981	2.9
83.08616	4.4
85.06558	1.3
87.04500	0.8
91.05479	4.9
93.07045	12.4
94.07379	0.5
95.04958	2.3
95.08607	27.2
96.08961	1.0
97.06538	2.1
97.10168	3.0
99.08115	0.9
105.07027	12.5
107.08597	21.9
108.08971	1.1
109.06509	3.3
109.10160	17.2
110.10534	0.6
111.08104	1.9
111.11768	1.7
117.07056	1.3
119.08583	18.6
120.08949	0.8
121.06538	1.0
121.10143	16.3
123.08070	3.6
123.11708	6.8
124.12083	0.8
125.09643	1.5
127.11237	0.5
129.07040	0.7
131.08580	5.6
133.10129	14.9
134.10472	0.7
135.08110	1.2
135.11690	20.7
136.12077	1.1
137.09616	2.6
137.13295	2.4
139.11211	1.0
143.08585	1.9
145.10118	10.3
145.11197	0.6
147.08098	0.5
147.11691	12.2
149.09663	1.2
149.13263	6.6
151.11201	2.0
151.14850	0.6
153.12849	0.6
157.10109	2.2
159.11670	7.1
160.12448	0.4
161.09651	0.8
161.13272	7.1
161.14542	0.6
163.11269	1.1
163.14803	8.5
163.15956	0.5
164.15227	0.5
165.12830	1.2
169.10176	0.6
171.11681	2.4
173.13246	6.1
174.13835	0.6
175.11298	0.6
175.14844	4.4
177.12817	1.1
177.16397	3.2
178.16719	0.4
179.14426	0.6
183.11775	0.7
185.13290	2.0
186.13908	0.4
187.14807	3.8
189.16382	18.8
190.16801	1.6
191.14391	0.7
191.17952	4.6
196.90332	0.4
199.14940	1.7
201.16391	14.5
202.16898	0.9
203.14400	1.4
203.17889	3.1
205.08621	0.5
205.15990	1.1
205.19588	0.6
207.14159	0.8
207.17438	20.2
208.17848	1.0
213.16457	1.8
215.17944	3.9
217.16010	1.0
217.19518	2.3
219.17444	33.4
220.17902	1.8
227.18039	0.8
229.19597	1.8
231.17543	0.7
233.19112	1.4
235.20575	0.7
239.18074	0.9
241.19484	1.0
243.21072	1.9
247.20787	0.5
255.21191	1.0
257.22729	1.0
261.22430	0.6
269.22559	2.5
271.24347	0.6
275.12802	0.5
279.23328	0.6
281.22778	0.5
283.24246	1.8
289.25580	0.6
301.25439	1.1
345.28177	0.7
395.33200	0.5
405.35391	1.4
423.36783	5.6
424.36792	0.6
441.37497	100.0
442.37811	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	441.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.9
55.01886	2.3
55.05502	22.0
56.00861	2.1
56.89787	1.6
57.03419	1.7
57.07067	9.1
59.05000	2.4
62.97337	1.9
65.03934	2.0
67.05499	39.5
68.05858	1.7
69.03412	3.1
69.07065	38.4
69.33646	4.5
69.34055	10.0
71.04994	11.5
76.72442	2.1
79.05484	25.7
81.07050	60.4
82.07376	2.2
83.04986	5.7
83.08620	16.8
85.06517	4.5
91.05476	23.0
93.06439	2.7
93.07037	52.8
93.07588	4.0
94.07386	3.7
95.04967	34.0
95.08601	88.6
96.08936	2.8
97.06528	7.8
97.10165	12.3
99.08087	5.4
105.07024	52.4
106.07346	2.2
107.04982	2.6
107.08587	78.3
108.08920	2.8
109.06505	5.7
109.10149	100.0
110.10466	3.9
111.08080	8.1
111.11723	5.5
113.09592	2.2
117.07011	7.0
119.08577	69.0
120.08926	4.3
121.06470	4.2
121.10137	60.2
122.10421	2.0
123.08070	26.9
123.11703	21.7
125.08857	2.8
125.09627	13.4
127.11193	21.1
129.07001	4.6
131.08545	20.1
133.06473	3.1
133.10126	51.8
135.08051	25.7
135.11676	52.1
136.08304	2.2
137.09608	4.5
137.13242	12.2
139.11157	3.4
143.08536	7.1
143.10674	6.0
144.09355	2.4
145.10110	30.3
147.08058	2.8
147.11679	54.9
147.12851	3.2
149.09613	14.7
149.13261	26.5
150.13629	2.0
151.07526	56.0
151.11192	6.5
152.07893	3.1
153.12746	3.2
155.08554	2.5
157.10132	13.8
159.08046	3.2
159.11687	37.3
160.12151	2.3
161.09625	7.2
161.13243	32.9
163.11148	6.7
163.14781	16.2
165.12730	6.5
169.10150	5.6
171.11707	12.7
173.09677	2.8
173.13234	27.4
174.13779	2.0
175.11205	12.7
175.14847	28.3
177.12794	7.3
177.16417	9.1
179.10703	2.3
179.14337	7.8
183.11655	4.7
185.13228	12.6
187.11383	2.6
187.14793	23.1
189.12764	8.2
189.16389	42.2
190.16653	2.5
191.14296	6.8
191.17928	24.3
193.15829	2.5
197.13234	5.2
199.14830	8.1
201.12766	6.5
201.16405	23.0
202.16768	2.4
203.14357	6.3
203.17975	19.3
205.15863	10.1
205.19606	2.7
207.17494	17.5
209.13318	2.5
211.14813	3.4
213.12708	2.0
213.16415	7.4
215.14580	3.9
215.17938	21.3
216.18385	2.7
217.15852	5.7
217.19489	8.7
219.17477	6.1
221.18970	2.4
225.16391	3.6
227.17892	4.7
229.15863	4.8
229.19557	6.6
233.15300	3.5
233.18959	13.4
235.17047	2.4
239.17825	5.0
241.19490	5.2
243.21097	2.8
245.18971	2.0
247.20615	4.7
253.19568	2.5
255.21016	3.2
257.19376	1.9
257.22681	4.7
269.18814	2.6
270.19150	2.1
271.20380	1.9
283.24368	3.9
297.25717	1.9
301.25183	2.5
313.25580	2.1
315.26868	2.3
337.28934	2.5
355.29910	4.2
367.25784	2.0
395.33075	5.4
399.28482	4.2
405.31430	7.5
423.31329	18.4
423.36288	24.4
424.36899	3.8
441.32953	43.4
441.37888	16.6
442.33728	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	442.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85326	0.5
53.03952	2.5
55.01873	2.9
55.05510	2.5
57.03437	5.6
61.02927	8.5
65.83903	0.5
67.05517	0.7
69.03431	15.4
69.30587	2.8
69.30997	0.8
70.06580	1.9
71.01324	0.8
71.04989	4.9
72.25935	0.5
73.02914	3.2
79.05487	0.9
81.03417	7.5
81.07040	0.7
83.01353	0.7
83.04984	0.7
83.08618	5.9
85.02902	100.0
85.16175	0.5
86.03239	1.8
87.04465	2.3
91.03944	5.5
91.05492	0.6
93.07024	1.0
97.02891	22.3
99.04455	3.6
101.02348	0.9
101.09637	1.3
103.03927	0.8
105.07029	0.7
109.02875	8.0
111.08105	1.1
112.07587	0.6
113.09625	0.8
115.03938	1.9
121.02836	0.5
121.06453	0.6
123.08083	0.6
127.03915	22.5
128.04187	0.7
129.09126	1.3
135.08055	0.6
139.07570	1.4
139.27934	0.5
140.07095	0.5
141.09105	1.6
145.04956	43.5
146.05325	1.2
151.07513	0.7
155.10664	0.7
163.06013	20.2
167.10675	1.0
168.02341	0.5
191.10684	0.8
209.11713	1.8
227.12772	1.5
235.30873	0.5
245.08325	0.6
245.13866	1.6
263.14929	1.6
278.66428	0.7
307.26587	0.4
311.91541	0.5
325.10944	0.6
330.67938	0.6
442.17258	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85326	0.5
53.03952	2.5
55.01873	2.9
55.05510	2.5
57.03437	5.6
61.02927	8.5
65.83903	0.5
67.05517	0.7
69.03431	15.4
69.30587	2.8
69.30997	0.8
70.06580	1.9
71.01324	0.8
71.04989	4.9
72.25935	0.5
73.02914	3.2
79.05487	0.9
81.03417	7.5
81.07040	0.7
83.01353	0.7
83.04984	0.7
83.08618	5.9
85.02902	100.0
85.16175	0.5
86.03239	1.8
87.04465	2.3
91.03944	5.5
91.05492	0.6
93.07024	1.0
97.02891	22.3
99.04455	3.6
101.02348	0.9
101.09637	1.3
103.03927	0.8
105.07029	0.7
109.02875	8.0
111.08105	1.1
112.07587	0.6
113.09625	0.8
115.03938	1.9
121.02836	0.5
121.06453	0.6
123.08083	0.6
127.03915	22.5
128.04187	0.7
129.09126	1.3
135.08055	0.6
139.07570	1.4
139.27934	0.5
140.07095	0.5
141.09105	1.6
145.04956	43.5
146.05325	1.2
151.07513	0.7
155.10664	0.7
163.06013	20.2
167.10675	1.0
168.02341	0.5
191.10684	0.8
209.11713	1.8
227.12772	1.5
235.30873	0.5
245.08325	0.6
245.13866	1.6
263.14929	1.6
278.66428	0.7
307.26587	0.4
311.91541	0.5
325.10944	0.6
330.67938	0.6
442.17258	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.1
55.01868	4.4
55.05500	2.6
57.03436	12.5
58.18106	1.0
59.04982	1.7
61.02930	9.3
67.05492	2.4
69.03426	26.1
69.07068	1.7
71.01352	3.7
71.04970	2.5
71.32880	2.0
73.02916	37.5
78.36580	1.0
79.05491	1.8
81.03421	8.5
81.07053	6.4
85.02902	72.8
86.03239	1.4
87.04472	3.5
91.03964	3.4
91.05460	3.8
93.07056	2.9
95.04967	1.7
95.08598	3.4
97.02890	38.0
97.06507	2.8
97.68172	1.0
99.04459	4.4
103.03928	1.7
105.07029	3.0
107.08590	3.2
109.02850	6.5
109.06555	1.5
109.10165	4.0
115.03927	17.9
119.08574	3.2
121.10172	2.5
123.04473	1.6
123.11732	2.3
125.09624	1.2
127.03920	21.7
129.07022	1.1
131.08577	2.4
133.04958	19.3
133.10115	1.9
135.08122	1.1
135.11676	1.6
137.05971	1.3
137.09621	2.1
143.08643	1.1
145.04956	34.0
145.10120	1.6
147.08136	1.4
147.11774	1.8
149.09634	1.7
150.07603	2.2
159.11717	1.8
161.67206	1.1
163.06032	13.1
165.09108	17.5
176.11557	1.0
187.14804	1.3
193.05077	1.4
205.12337	1.3
207.08290	1.2
218.85663	1.1
223.06012	2.3
241.07068	2.5
259.08136	2.1
299.09103	4.0
368.22861	1.2
398.42313	0.9
442.24915	100.0
442.33124	6.3
443.13428	2.4
443.26089	17.5
443.31873	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.1
55.01863	2.4
55.05514	1.7
56.23521	1.0
57.03437	27.9
57.07090	1.3
61.02930	10.2
69.03069	2.2
69.03428	32.7
69.07056	1.4
69.15762	10.1
71.01357	1.8
71.04992	2.6
71.08628	2.1
73.00469	1.0
73.02494	1.5
73.02915	48.4
81.03419	8.5
85.02902	100.0
87.04464	4.5
91.03959	4.3
93.07064	1.6
95.08602	1.8
97.02259	2.3
97.02892	47.7
98.23316	2.4
99.04456	4.4
100.11265	1.4
103.03897	1.4
107.08544	1.4
109.02869	8.7
109.10140	1.8
115.03925	26.3
119.08587	2.0
127.03910	30.0
133.04985	8.9
145.04958	47.8
150.07605	2.2
160.04410	1.1
163.06017	22.5
170.15399	2.7
181.99210	1.0
182.15454	1.6
198.14912	1.9
207.46761	1.1
210.14870	1.7
223.06046	1.6
241.07072	3.2
259.07916	1.9
293.19519	1.5
299.09125	2.0
398.30493	1.6
442.25015	7.8
442.33151	42.2
443.13605	2.0
443.25757	2.0
443.33426	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	442.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.4
55.01869	2.0
55.05509	1.1
55.05810	1.0
57.03439	25.7
60.17235	0.9
61.02928	13.7
67.05520	1.6
69.03068	1.7
69.03434	33.7
69.06808	1.9
69.07207	8.1
71.01351	3.1
71.04993	2.6
73.02920	51.9
81.03438	7.8
81.07059	2.3
85.02905	100.0
86.03224	1.1
87.04466	3.7
91.03960	5.4
91.05464	1.5
93.07046	2.3
95.08572	1.7
97.02895	47.7
99.04447	4.2
103.03917	1.2
104.98460	0.9
105.07049	2.2
107.08578	1.8
109.02873	10.1
109.10147	1.5
115.03932	31.7
119.08577	2.1
127.03909	25.2
131.08537	1.2
133.04980	5.4
133.10098	1.5
145.04964	48.5
150.07677	2.5
159.11778	1.3
163.06003	16.1
193.04953	1.3
223.05992	2.5
241.07086	4.3
258.86050	1.0
259.08105	1.5
442.24612	3.3
442.33267	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	442.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.4
53.96558	2.0
55.05512	63.6
56.05856	1.8
57.07076	47.9
58.06601	8.1
62.92860	1.7
63.00041	21.3
64.70601	1.8
67.05503	11.1
69.03428	3.1
69.07069	99.2
69.32530	6.5
69.32950	3.4
70.02969	2.3
70.07413	2.4
71.04960	2.2
71.08264	2.9
71.08634	33.4
79.05490	6.8
81.07059	20.0
83.04984	2.1
83.08622	76.4
85.06525	2.2
85.10193	21.1
87.04472	10.3
89.06032	6.6
91.05475	4.1
91.74592	1.9
93.07052	13.5
94.07386	2.8
95.08606	20.7
96.08935	4.8
96.27998	1.6
97.06525	1.9
97.10172	71.7
98.10508	2.6
99.08091	3.0
99.11750	3.6
102.05540	37.5
104.07105	100.0
105.07029	7.3
107.02613	11.0
107.08595	11.4
108.08920	2.9
109.10170	9.9
110.10472	2.8
111.08054	2.2
111.11720	31.5
112.11923	1.5
113.13224	1.7
119.08561	8.5
120.08941	2.4
121.10145	13.2
122.10442	3.2
123.11698	5.0
124.12095	2.0
125.09670	2.0
125.13292	10.8
130.04967	1.6
131.08585	3.3
133.10147	5.1
134.10512	1.5
135.08089	1.7
135.11702	8.4
136.12018	2.0
137.09657	4.0
137.13264	2.7
139.14836	2.9
145.10103	4.1
146.10590	1.7
147.11734	5.3
147.74846	1.5
148.12015	1.7
149.09691	2.0
149.13252	5.3
151.05208	4.6
153.16335	3.1
159.11681	3.5
161.13260	4.3
162.13744	2.0
163.14847	5.2
165.09155	12.7
171.11639	2.6
174.13669	2.7
175.14815	8.2
176.15179	4.9
177.09201	1.8
177.16415	7.2
187.14804	2.0
188.15080	1.7
189.16356	3.1
190.16713	3.0
195.07802	2.0
201.16350	2.8
203.17982	7.1
204.18292	5.1
205.12355	2.7
205.15836	2.2
216.24586	2.0
221.11678	2.6
224.62457	1.7
257.11673	2.2
275.27423	8.8
293.28391	39.2
336.32489	2.6
396.34729	47.8
397.34955	3.7
424.32553	2.9
442.32626	3.2
442.37546	12.6
442.74469	2.0
443.24289	4.8
462.15790	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.389
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54174	0.3
55.05512	14.7
57.07076	11.8
58.06605	1.9
58.07396	0.4
59.25264	0.3
63.34142	0.3
67.05499	2.3
69.07069	23.0
69.35962	2.1
71.08630	8.1
79.05492	1.1
81.07059	3.8
83.08619	20.8
85.10183	4.8
87.04472	1.1
87.24485	0.3
93.07034	1.3
95.08605	3.8
96.08933	0.3
97.06499	0.5
97.10169	18.2
98.23328	0.7
99.11724	0.8
102.05547	11.0
104.07104	100.0
105.07443	1.1
107.08598	1.2
109.10138	2.0
111.11720	8.4
116.29716	0.4
121.10139	1.9
123.11710	0.8
125.13263	2.9
130.04976	0.5
133.06529	0.4
135.11693	1.3
137.13287	0.8
139.14813	1.0
147.08051	0.3
149.13274	0.9
153.16382	0.7
163.14828	1.3
164.51726	0.3
167.17976	0.5
177.16467	0.5
189.95012	0.3
237.22154	1.2
250.48352	0.3
303.30447	2.5
321.31491	8.7
322.31967	0.8
339.32809	0.3
342.14380	0.4
364.35654	0.4
381.73227	0.4
424.37811	12.4
425.38055	1.4
442.38776	1.6
443.24146	0.9
443.34781	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.9598
Annotation	Unknow
Peak:m/z	Relative Intensity
71.08537	0.8
71.08878	1.1
79.95867	0.7
89.36824	0.6
97.66894	0.6
100.42159	0.6
104.99269	100.0
105.99609	1.1
110.25949	0.6
161.05241	0.6
186.99545	22.8
230.37337	0.6
268.99802	2.4
278.95389	40.3
279.95654	1.2
360.95639	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	443.0972
Annotation	(-)-Catechin gallate
Peak:m/z	Relative Intensity
51.02385	1.1
53.03951	1.0
55.01878	1.2
55.05507	0.5
58.94164	0.4
59.04987	2.4
62.23123	0.5
65.03939	1.4
67.05490	2.2
68.99796	1.2
69.03439	3.0
69.12544	3.4
71.04988	0.7
77.03930	1.1
79.01846	3.9
79.05490	1.0
81.03394	0.9
81.07055	0.6
83.04981	1.8
85.02898	1.4
91.05479	1.6
93.03413	0.7
93.07034	1.3
95.04974	2.8
95.08601	1.0
96.05294	0.5
97.02863	2.3
98.23341	1.0
99.04489	0.6
105.03397	1.0
105.07017	1.4
107.01336	0.9
107.04971	0.9
107.08539	0.8
109.10107	0.6
110.52941	0.5
111.00830	0.9
111.04455	2.9
113.06031	0.8
115.03905	0.9
115.05412	0.6
119.04953	3.0
119.08541	1.1
121.10158	1.0
121.79440	0.4
123.04424	100.0
124.04739	3.0
125.02324	1.6
125.05946	0.7
127.03940	1.1
131.08572	0.8
133.04956	0.7
133.10100	0.5
133.12238	0.9
137.05956	0.9
139.03893	77.6
140.04234	1.8
143.03375	3.6
143.04915	0.8
147.04407	9.6
147.07942	0.5
147.11678	0.7
151.03900	14.8
153.01823	48.9
153.02914	3.0
154.02126	1.9
157.06488	0.6
161.05966	2.4
162.05437	0.9
163.03851	0.8
163.07501	1.1
165.05460	7.0
169.04953	0.7
177.05531	0.5
179.06964	1.0
181.04890	0.8
187.14526	0.5
189.05508	2.3
200.89841	0.5
207.06511	2.3
229.08545	0.8
231.06354	1.0
231.31345	0.5
255.06538	1.3
262.09830	0.5
273.07529	5.7
280.80313	0.4
287.05640	0.5
291.08499	9.5
323.12564	0.5
333.79990	0.5
336.09662	0.6
351.12106	0.7
353.10065	0.6
368.12500	0.6
383.14886	4.6
443.12747	0.9
443.23212	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	443.133
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96280	3.4
56.96561	46.1
71.33085	4.4
71.95238	6.3
84.96011	6.5
98.97575	97.7
99.08097	2.9
115.00671	5.1
116.98603	33.6
123.04427	50.2
134.99609	4.4
137.02733	4.7
137.06012	3.9
139.03877	43.5
147.04353	5.8
151.03957	5.1
153.01811	26.1
158.99637	22.7
165.02371	3.5
165.05513	3.8
167.00110	3.8
168.98058	3.2
174.02007	4.0
177.00661	10.1
182.02483	6.4
183.03294	5.1
200.03517	18.2
201.04297	4.8
209.08406	3.5
218.04631	3.7
219.06944	7.9
235.06464	4.2
237.07938	34.5
239.05876	24.2
255.06438	5.6
255.09013	68.0
257.06949	18.0
263.05930	8.4
273.10101	42.7
279.09064	11.1
281.06927	50.2
291.08499	6.0
297.10037	44.6
299.08038	29.9
315.11133	10.9
323.08020	54.6
341.09128	10.6
443.12296	100.0
444.12668	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	443.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20797	0.3
53.03954	0.6
57.03430	1.6
59.04996	0.5
61.02932	1.6
69.03434	4.4
69.21149	2.0
69.21570	1.2
70.06574	0.7
71.01352	0.6
71.04981	0.5
73.02924	1.5
81.03415	1.5
81.03865	0.4
83.01106	1.2
83.04991	0.5
84.01891	0.4
85.02905	4.9
86.09697	0.4
87.04482	1.4
95.01097	2.2
96.01854	1.0
97.02892	2.1
99.04452	1.1
109.02902	0.7
112.01358	0.9
113.02124	3.5
122.06076	0.4
123.08034	0.4
124.07649	0.5
127.03935	0.9
128.76941	0.4
132.06834	0.6
136.07576	0.9
137.05930	0.4
146.08379	0.5
147.09166	38.0
148.09505	1.5
153.01744	0.4
157.04733	1.1
159.09157	0.5
164.07036	0.7
167.03178	0.5
167.07092	1.4
185.04192	4.6
186.04688	0.6
189.05202	2.3
189.10262	1.1
191.03203	0.7
201.03728	1.1
203.05206	0.8
204.10181	0.5
206.05490	12.4
207.06137	1.0
243.08353	0.8
246.11053	0.4
246.58009	0.4
249.07338	1.0
259.07840	2.9
264.12296	1.8
281.10049	1.1
281.14944	27.6
282.15341	1.0
315.88303	0.5
338.75095	0.4
383.13226	0.6
412.13254	0.5
413.14130	1.3
419.43808	0.4
443.15121	100.0
443.20367	39.6
444.15512	8.2
444.20633	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	443.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03469	3.6
55.04253	3.4
57.03418	0.5
61.02892	0.5
66.60609	0.4
69.03419	1.9
69.97289	0.4
70.31720	0.4
70.32045	1.0
71.62004	0.4
71.95005	0.5
73.02905	0.5
78.55939	0.4
80.04998	0.7
81.04536	20.7
82.04868	0.5
82.05320	8.8
85.02902	2.5
87.04480	0.6
87.71161	0.4
97.02886	1.0
108.05592	1.3
109.02898	0.7
110.07182	0.5
122.07150	100.0
123.07936	95.8
124.08268	2.6
127.03914	0.8
142.03267	0.4
142.89410	0.4
144.04813	0.8
160.04257	2.1
164.08116	0.4
165.07733	4.6
172.04320	1.9
186.73447	0.5
214.39273	0.5
258.20206	0.5
281.10660	61.4
282.10941	2.9
323.11636	0.7
335.86127	0.5
382.59357	0.5
443.15942	71.7
444.16104	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	443.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.9
59.88246	0.9
60.88452	0.5
66.15795	0.6
69.07062	0.9
69.64788	1.0
69.65189	2.6
79.05471	1.8
81.07025	1.5
91.05463	1.2
93.07040	1.1
95.08609	1.6
105.07010	1.6
107.04937	2.7
107.08562	1.8
109.10158	0.7
115.05428	1.3
116.06286	0.8
117.06999	0.8
119.08582	1.3
121.10114	0.9
123.11746	0.6
128.06232	1.8
129.06989	1.0
131.08525	1.0
133.02847	0.7
133.10133	1.0
139.74959	0.6
141.06941	3.3
143.08585	1.0
144.05649	1.0
145.06459	0.7
153.05460	1.0
153.06955	1.0
156.05884	0.7
157.06487	4.9
158.07239	1.8
159.08041	0.9
161.13216	0.7
165.05577	0.7
165.07007	1.3
167.07019	2.6
167.08337	0.6
168.05734	0.9
169.06544	1.9
170.07300	2.9
178.07814	0.7
178.46078	0.7
179.08467	1.0
181.10146	0.7
186.06749	6.5
187.07465	1.0
190.07817	1.5
191.08540	2.4
192.09326	0.7
194.07106	1.1
198.06923	1.0
200.08363	1.7
201.09074	4.5
202.07729	3.7
203.08575	2.7
205.06631	2.8
205.08450	1.2
205.10242	0.7
207.08078	1.0
207.11600	0.9
208.08710	0.7
209.09593	1.0
210.06844	0.7
211.07501	1.0
214.06288	0.7
215.08659	1.3
217.08423	0.8
217.10284	0.7
218.07240	2.4
219.08026	6.9
219.09984	0.9
220.08742	3.1
221.05891	0.6
221.09676	0.8
222.06683	1.6
223.11226	0.8
229.06380	0.8
229.08583	11.9
230.07231	2.2
231.08035	6.3
231.10069	1.3
232.08826	2.1
233.06104	1.2
233.09602	4.3
234.06725	1.9
234.10358	2.0
235.07552	1.4
235.11176	1.1
236.08260	1.8
237.09085	1.6
243.08105	0.6
244.08932	0.9
245.05786	0.7
245.09595	2.9
246.06815	1.5
247.07526	11.7
248.08295	9.6
249.09132	3.4
250.06236	1.8
251.07021	1.5
251.10667	1.3
253.43813	0.6
254.09262	0.7
258.06778	1.5
259.07568	4.0
260.08310	2.6
261.05768	1.2
261.09122	5.1
262.06186	1.4
262.09860	5.0
263.07098	1.6
263.10687	8.0
264.07758	3.1
264.10571	1.1
265.08499	4.3
266.09393	0.6
269.08191	0.8
273.09161	1.5
275.06998	6.9
276.07751	8.1
277.04947	2.2
277.08548	5.6
278.05634	1.7
278.09152	0.8
279.06561	1.7
279.10193	3.0
280.07053	0.7
280.10822	1.1
287.07047	1.5
289.05112	0.8
289.08664	2.0
290.06033	1.2
290.09354	6.2
291.06540	1.6
291.10071	14.3
291.13190	1.1
292.07272	6.6
292.10434	1.4
293.08072	10.5
293.11386	0.8
294.08777	2.9
295.06085	1.6
295.09512	0.8
303.06616	1.1
304.07242	2.2
305.08051	3.3
305.11761	2.1
306.08652	1.5
307.05957	1.9
307.09534	9.8
308.10226	5.9
309.07706	0.7
309.11081	1.9
310.08176	0.8
311.08847	0.7
315.08524	0.7
318.08835	1.1
319.09631	8.5
320.06662	1.5
320.10245	1.7
321.07574	6.3
321.11230	2.2
322.08313	2.5
322.11987	3.2
323.09186	1.0
323.12741	6.2
325.10693	3.0
333.11136	1.2
335.09109	2.5
336.09784	4.7
337.10620	7.8
338.07718	3.0
338.11261	0.8
340.12643	1.0
350.11639	1.6
351.12225	12.6
352.12961	3.3
353.10138	11.9
354.10608	1.4
368.12531	16.2
369.12894	1.7
383.14865	100.0
384.15259	10.2
443.15955	2.7
443.27817	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23484	1.2
67.05486	2.1
68.61067	1.3
69.07050	2.2
69.68736	1.6
70.64935	4.4
70.97471	1.4
72.97899	1.3
74.83895	1.2
79.05499	3.5
81.07061	4.6
91.05492	2.4
93.07036	2.5
95.04972	2.0
95.08604	6.2
105.07030	2.8
107.08595	4.4
109.10107	2.4
110.92221	1.4
111.65345	1.3
119.08581	3.9
121.10143	3.8
131.08554	3.1
133.10126	4.1
135.08038	2.3
135.11664	2.8
145.10080	4.2
147.08028	1.7
147.11671	2.3
159.11583	1.5
161.13130	2.4
165.09146	1.8
169.10191	1.4
171.11520	1.6
175.11110	1.5
176.04367	1.7
201.05260	5.3
209.31900	1.4
216.07558	33.5
216.09477	2.4
217.08095	2.7
229.08676	3.8
233.84413	1.5
247.07509	1.6
248.08156	1.9
275.06833	2.3
291.09967	2.0
292.07309	1.8
351.11969	2.0
368.12634	1.6
383.14883	14.6
425.30734	1.7
443.16705	100.0
443.27402	5.0
444.17047	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	443.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.7
55.05501	0.7
57.03465	0.5
67.05495	1.2
67.68731	0.5
69.07054	0.6
69.66372	2.6
71.05022	0.6
79.05481	2.3
81.07048	1.0
86.27597	0.5
91.05482	1.2
93.07053	1.0
95.04967	0.5
95.08581	1.4
105.07020	0.9
107.04922	2.9
107.08585	1.2
109.06525	0.5
109.10152	0.8
115.05466	1.3
117.07022	0.6
119.08582	1.7
121.06543	0.5
121.10143	1.2
124.05235	0.6
125.05988	0.6
128.06223	1.4
129.07016	1.4
130.07764	0.6
131.08571	1.1
133.06335	0.5
133.10146	1.3
134.05487	0.5
141.06973	4.6
143.08556	1.1
144.05681	0.6
145.06451	1.0
145.10066	0.5
153.05487	0.6
153.06952	0.6
156.05658	0.6
157.06509	4.1
158.07254	2.3
159.08067	1.4
165.05560	0.5
165.07002	0.8
167.07013	3.4
168.05666	0.6
169.06509	1.9
170.07240	2.3
171.11694	0.5
173.05986	0.5
173.13240	0.5
177.05388	0.6
178.07823	0.6
179.07114	0.6
183.08116	0.8
185.05988	0.7
186.06746	5.4
187.07552	1.0
187.14897	0.6
187.71310	0.5
189.06981	0.9
190.07785	1.7
191.07069	0.7
191.08566	3.0
192.09328	0.6
194.07208	0.6
198.06862	0.6
200.08240	2.3
201.09096	4.6
202.07722	2.6
203.08611	2.7
204.09225	0.7
205.06482	1.7
205.08394	1.2
205.10197	1.0
206.07193	0.6
206.10854	0.8
207.08189	1.1
209.09648	0.7
211.07610	1.3
214.06171	0.6
215.08539	1.8
215.10474	0.5
216.07565	0.7
218.07272	2.4
219.08044	7.9
220.08794	4.3
221.06035	0.7
221.09497	1.1
222.06696	1.0
223.07471	0.7
223.11293	0.9
229.08603	10.4
230.07300	1.5
231.08026	6.5
231.10204	1.8
232.08733	2.0
233.06003	1.7
233.09575	3.9
234.06711	1.7
234.10391	2.1
235.07509	1.5
235.11174	1.7
236.08186	0.9
237.09161	1.8
238.09819	0.5
239.06908	0.6
241.08777	0.5
244.08730	1.4
245.09587	2.6
246.06763	1.1
247.07524	11.5
247.09804	0.5
248.08261	9.5
249.05687	0.6
249.08984	2.6
249.75404	0.6
250.06337	1.9
251.06960	0.9
251.10684	0.9
254.09398	0.7
255.10126	0.6
258.06769	2.1
259.07495	4.1
260.08237	2.0
261.05569	1.8
261.09036	4.4
262.06140	1.2
262.09869	4.5
263.07028	1.9
263.10675	7.8
264.07843	2.7
264.10855	0.9
265.08554	5.9
266.09195	0.9
267.06461	0.7
267.10126	0.6
271.07462	0.7
272.08389	0.8
273.08972	0.8
274.06094	1.0
275.06976	7.2
276.07745	7.6
277.04932	1.8
277.08530	5.1
277.11551	1.0
278.05652	2.0
278.08771	0.5
279.06445	1.4
279.10181	3.6
280.10950	1.4
284.19415	0.5
287.07086	1.1
288.07797	0.7
289.08539	2.2
290.06085	1.0
290.09286	5.9
291.06723	1.1
291.10110	12.2
292.07263	6.4
292.10498	1.3
293.08084	9.8
293.11508	1.3
294.08707	2.2
295.05981	1.6
295.09244	0.6
295.13174	0.7
297.11111	0.6
304.07104	1.1
305.08026	4.3
305.11700	2.4
306.08798	1.3
307.06003	1.9
307.09613	9.7
308.06866	0.8
308.10272	6.0
309.11081	1.5
310.08334	1.1
311.09174	0.8
315.08661	1.3
318.08859	1.5
319.09616	8.2
320.06750	1.0
320.10291	1.3
321.07513	5.0
321.11285	1.7
322.08295	3.5
322.12036	3.1
323.05557	1.3
323.09149	0.7
323.12726	6.9
324.09695	0.6
325.10666	2.2
335.09128	3.5
336.09814	4.0
337.10617	7.7
337.14294	0.8
338.07770	3.1
340.13141	0.9
350.11386	2.0
351.12180	11.1
352.12912	2.8
353.10153	11.0
354.10709	1.1
368.12512	14.6
369.12979	1.4
383.14844	100.0
384.15195	9.7
443.15921	2.7
443.27951	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.17
Annotation	Unknow
Peak:m/z	Relative Intensity
60.92672	0.6
63.67352	0.7
63.93718	0.6
69.48986	4.1
69.59178	0.6
71.04990	1.0
71.45306	0.7
79.05496	1.8
85.02901	1.2
91.05472	2.5
95.05009	0.8
95.08601	0.6
100.11246	1.7
105.07016	0.7
107.04953	3.7
107.08694	0.8
111.61456	0.7
115.05460	2.3
122.10651	0.7
128.06236	1.6
129.07005	3.0
131.08580	2.7
131.50139	0.7
137.05922	1.1
139.03871	1.0
141.06987	3.9
144.05753	1.0
147.04436	1.1
151.03864	1.7
152.06267	1.0
155.08464	0.8
157.06491	4.3
158.07263	2.2
159.00577	1.0
159.08035	4.0
161.05980	0.7
167.06992	4.9
169.06525	2.1
170.07294	3.0
171.08051	1.3
173.05984	1.2
174.06670	1.0
175.41747	0.7
176.06161	0.7
177.05501	1.0
179.07031	0.7
181.10199	0.8
185.06013	1.1
186.06755	5.5
187.07510	2.8
189.06981	1.0
190.07764	1.0
191.08629	2.4
192.09253	1.1
200.08359	2.7
201.09084	4.0
202.07808	3.5
203.08601	2.6
204.09402	0.7
205.06494	2.5
205.08595	1.8
208.05215	1.6
208.08844	0.8
209.09564	0.9
211.07608	0.9
214.06270	1.6
215.08704	1.0
217.08585	1.8
218.07312	2.9
219.08066	6.8
219.10014	1.0
220.08852	3.7
221.05968	0.9
221.09686	1.0
222.06749	1.5
229.08586	14.3
230.07298	1.7
231.08029	6.7
231.10229	2.3
232.08823	2.5
233.06001	1.8
233.09641	3.8
234.06779	1.6
234.10435	1.8
235.07523	1.8
235.11151	0.9
236.04820	0.8
236.08264	1.3
237.09148	1.3
239.09373	0.7
244.08751	1.0
245.06027	0.9
245.09776	4.0
246.06680	1.1
247.07501	11.6
247.09727	6.1
248.08224	11.2
249.05658	0.7
249.08983	2.8
250.06268	1.7
250.09921	0.7
251.07018	1.5
251.10736	0.9
254.05804	1.0
258.06750	1.8
259.07462	4.1
260.08258	1.5
261.05655	1.2
261.09143	4.0
262.06323	1.5
262.09918	4.9
263.07184	1.3
263.10641	8.3
264.07770	3.6
265.08600	5.3
267.06705	0.8
267.09933	0.8
269.08154	1.6
273.09225	1.3
274.06189	1.0
274.09375	0.6
275.06961	4.4
276.07758	9.5
277.04977	2.1
277.08557	5.7
277.11154	0.7
278.05722	3.6
278.09106	1.8
279.06653	1.7
279.10144	2.9
282.08942	0.8
283.09705	0.7
287.06943	0.8
288.07614	0.7
289.08368	2.0
289.10910	2.1
290.06042	1.1
290.09283	5.3
291.06778	1.4
291.10114	14.6
291.98071	0.7
292.07260	4.8
292.10684	2.3
293.08041	11.1
293.11346	0.8
294.08731	2.8
295.06036	0.8
295.09448	0.8
299.08884	0.7
300.77713	0.6
303.06570	1.1
304.07230	2.3
305.08026	3.7
305.11728	2.3
306.08554	1.5
307.06223	1.4
307.09518	8.3
308.10358	7.5
309.07776	1.2
309.11142	1.7
310.08527	0.8
315.08624	4.0
318.08905	1.4
319.09604	8.1
320.06741	1.6
320.10345	2.0
321.07535	6.1
321.11261	2.0
322.08325	3.9
322.11987	2.7
323.05539	0.7
323.09299	0.6
323.12762	10.2
325.10651	2.2
326.11316	1.0
330.10825	4.2
333.11188	0.9
335.09149	2.5
336.09915	6.3
337.10593	6.8
338.07837	1.9
340.13086	1.2
350.11475	2.9
351.12238	16.0
351.16504	0.9
352.13092	3.4
353.10144	11.0
353.14093	1.2
354.10526	1.4
368.12494	13.7
369.13019	1.6
383.14862	100.0
384.15234	8.9
425.08328	9.0
443.09180	1.2
443.18344	2.2
443.26086	1.0
452.16858	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.1
53.13847	1.4
55.01301	1.7
55.01873	3.7
55.05246	2.7
55.05510	38.2
57.03442	21.0
57.07073	5.4
58.37631	1.4
59.04981	1.8
64.23650	1.4
65.03940	4.0
67.05504	90.9
68.05825	2.3
69.03426	2.0
69.07065	40.6
70.08168	5.2
71.04995	4.9
75.04469	4.8
77.03956	1.7
79.05492	57.2
81.07055	100.0
81.75423	1.4
82.07410	3.0
83.04978	7.3
83.08624	26.7
85.06540	6.9
87.04453	1.7
91.05481	44.6
92.05785	2.2
93.07043	76.7
94.07376	2.3
95.04974	6.5
95.08604	78.6
96.08936	2.6
97.06512	15.1
97.10167	14.5
98.23258	1.9
99.08089	5.5
105.07027	41.5
107.04948	2.2
107.08590	58.4
108.08984	2.2
109.06516	4.4
109.10149	32.0
111.08069	8.6
111.11737	3.0
113.09610	1.7
114.85677	1.5
116.24635	1.4
117.06982	7.4
119.04937	3.3
119.08584	33.9
121.06510	3.9
121.10145	77.9
122.10472	3.0
123.08073	5.3
123.11722	12.5
125.09623	6.8
127.07555	2.4
127.11087	1.5
129.06979	3.0
131.07082	1.6
131.08568	15.4
133.07805	1.5
133.10123	29.5
135.08055	4.8
135.11688	55.4
136.12019	3.2
137.09619	9.3
137.13281	4.1
139.11179	3.5
143.08551	5.4
145.06570	1.4
145.10115	17.7
147.04422	8.9
147.08090	4.5
147.11676	18.6
149.09598	4.9
149.13251	23.1
151.07611	1.8
151.11177	5.8
151.14822	1.7
157.10098	5.3
159.08133	2.1
159.10477	2.5
159.11694	19.1
161.09586	3.0
161.13251	13.3
163.11195	9.4
163.14792	6.3
165.12761	12.3
167.10808	1.9
169.10106	3.1
171.11661	7.0
173.13217	10.9
175.11188	2.6
175.14844	10.0
177.12752	8.6
177.16403	2.9
179.14313	5.3
181.12231	5.0
183.11691	2.8
185.13254	6.4
187.14848	6.2
188.15253	1.6
189.12822	1.8
189.16399	3.8
191.14348	3.3
191.17920	3.2
195.11703	1.8
195.13800	7.2
199.14824	3.2
201.16377	3.6
203.14304	2.3
203.17923	1.8
205.15828	3.1
209.13278	2.1
211.14934	2.3
213.16354	2.5
217.19408	1.7
221.15379	2.9
231.21117	2.7
241.19478	5.2
249.22121	3.7
259.20551	11.5
277.21616	93.6
278.21945	6.3
279.23346	2.9
283.20575	2.1
295.22751	4.1
351.25296	31.5
352.25763	3.9
369.26352	37.8
370.26675	3.6
407.29141	2.2
425.30188	8.4
425.34677	3.3
443.30124	32.7
443.35706	3.7
444.30948	2.5
446.66467	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.9
54.42866	2.5
55.01864	2.6
55.05506	35.0
57.03437	18.6
57.07071	3.6
57.63544	2.5
65.03957	2.4
67.05148	4.5
67.05503	85.1
69.03431	2.8
69.07061	40.8
71.04978	6.8
71.33243	3.4
75.04461	4.9
79.05489	61.2
81.03358	2.3
81.07054	100.0
83.04967	9.2
83.08605	27.4
85.06525	9.5
91.05477	44.6
92.77453	2.0
93.07041	70.3
95.04969	6.3
95.08600	82.9
97.06522	10.9
97.10172	13.1
99.08091	6.6
105.07023	42.2
107.08590	63.8
108.08878	3.6
109.06523	7.8
109.10151	32.1
111.08066	10.0
111.11713	4.5
113.05968	2.3
113.09657	2.9
115.40977	2.3
117.07008	8.8
119.08574	44.3
121.06499	4.9
121.10139	74.3
122.10420	3.7
123.08066	9.3
123.11720	16.2
125.09635	5.0
129.07014	4.5
131.07031	3.4
131.08554	20.8
133.10123	40.0
135.08003	7.6
135.11682	56.4
136.12032	4.5
137.09615	11.5
137.13217	5.8
139.11148	3.1
143.08540	10.3
145.10114	28.4
147.08125	2.5
147.11679	30.6
149.09622	8.7
149.13242	21.5
151.11183	7.6
155.08606	2.9
157.10127	10.0
159.11659	19.8
161.09633	6.6
161.13252	15.9
163.11214	10.9
163.14848	7.7
165.12764	12.0
167.10632	2.5
168.06438	2.4
170.10739	2.5
171.11705	12.3
173.09477	3.2
173.13266	9.6
175.11163	3.4
175.14830	12.2
177.09071	2.8
177.12723	15.9
177.16351	3.7
179.14273	5.6
181.12222	4.8
183.11655	5.0
185.13190	12.3
187.14813	8.5
189.12753	6.8
189.16437	4.9
191.10788	3.0
191.14293	5.0
191.17906	2.7
195.13863	3.7
199.14838	6.1
201.12772	3.3
201.16412	3.3
203.14360	3.4
207.17531	2.9
213.16383	2.7
217.12199	11.9
217.15858	3.2
221.15331	4.7
225.87782	2.4
226.60727	2.3
229.15939	3.4
231.21123	3.4
239.18164	3.1
240.74689	2.4
241.19543	3.3
249.22316	3.7
259.16919	2.5
259.20642	11.2
262.39954	2.7
277.21628	73.3
278.21890	5.7
295.22501	3.0
305.00830	2.6
333.50537	2.8
351.25275	28.6
369.26370	24.7
383.29337	5.4
397.31097	7.1
425.30197	10.5
443.30771	28.9
444.30624	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.5
55.01875	1.9
55.05512	19.4
57.03430	8.9
57.07074	3.8
59.04995	1.8
65.03931	2.9
67.05505	29.2
69.03439	2.7
69.07063	23.6
71.04989	6.3
72.95691	2.0
79.05481	28.3
81.03407	3.3
81.07054	60.0
82.07368	1.8
83.04972	3.8
83.08619	10.6
85.06537	18.3
91.05472	24.5
91.15752	1.6
93.07039	53.4
95.04960	7.9
95.08602	82.4
96.08919	3.6
97.06534	4.9
97.10187	7.5
98.23341	3.8
99.08105	2.9
105.07021	38.8
106.07288	2.0
107.08590	72.6
109.02871	2.7
109.06519	5.0
109.10151	51.1
111.04409	1.7
111.08059	2.7
111.11724	3.2
113.09637	8.6
115.05425	1.9
117.07025	15.8
119.08580	44.3
120.08846	3.0
121.06469	4.0
121.10139	49.7
123.08080	4.3
123.11678	19.1
125.09627	4.6
127.07489	1.8
127.11242	7.8
128.06226	3.4
129.07008	6.7
131.08559	28.0
133.10117	36.4
135.08109	3.3
135.11685	81.0
136.12000	3.0
137.05998	1.8
137.09628	3.5
137.13237	11.7
139.11151	4.1
141.06999	3.1
142.07816	3.2
143.08559	19.2
145.06490	2.3
145.10103	31.3
146.10582	1.5
147.08035	3.7
147.11679	26.7
149.09613	4.0
149.13254	23.5
151.11047	1.7
151.14806	3.1
153.12747	3.4
155.08553	8.5
156.09293	3.2
157.06567	1.5
157.10120	21.6
158.10510	2.2
159.08006	3.4
159.11687	26.1
160.12166	2.8
160.29358	1.6
160.50298	1.9
161.09595	5.7
161.13260	14.2
163.11180	5.9
163.14812	21.7
165.06950	1.9
165.09111	3.6
165.12604	1.5
168.09367	1.9
169.10103	15.4
170.10841	2.2
171.07973	1.9
171.11671	23.2
173.09656	5.3
173.13258	15.6
175.07552	2.3
175.11186	8.8
175.14819	24.2
177.09219	2.1
177.12738	4.4
177.16347	17.3
181.10097	5.2
183.11700	15.5
185.09648	2.8
185.13246	21.8
187.07527	1.8
187.11186	5.7
187.14807	15.0
189.09114	2.2
189.12737	9.5
189.16391	22.0
191.07059	1.7
191.10684	1.6
191.14339	3.1
191.17909	9.6
194.10941	1.9
195.11665	5.4
196.25769	1.6
197.13248	11.2
199.11166	3.7
199.14799	15.8
201.12831	7.2
201.16348	8.1
203.10719	3.4
203.14294	5.0
203.17941	16.4
204.18243	1.7
205.12126	1.8
205.15877	2.2
207.11859	2.4
207.17413	2.2
209.11592	2.5
209.13292	4.8
211.14775	9.5
213.12811	3.7
213.16418	8.0
215.14290	8.8
215.17938	3.8
217.12259	2.4
217.15845	7.4
219.13806	2.9
223.13087	3.6
223.15025	7.5
225.16313	12.2
226.16728	2.3
227.14320	4.8
227.17920	8.6
229.15851	6.4
229.19315	1.8
231.13792	3.7
235.13133	2.5
237.16292	5.9
239.14302	1.8
239.17836	5.5
241.15857	4.4
241.19633	2.6
243.13873	2.9
243.17526	6.4
243.21086	2.1
245.15378	6.1
251.17912	6.2
253.19522	5.0
255.17538	3.6
255.20935	1.8
257.15430	3.0
257.18890	2.1
259.17072	2.0
259.20480	1.7
261.14825	5.7
263.16309	3.5
265.19519	5.9
267.20840	1.9
269.15463	3.5
269.19000	6.1
271.16879	4.6
273.18457	2.7
275.16415	2.0
277.19388	3.5
283.17258	2.0
283.20547	8.4
285.18546	3.6
285.22324	2.5
287.16324	3.6
289.17987	5.1
291.21240	3.8
297.18384	5.2
301.17865	3.8
303.19513	2.9
305.22580	3.1
309.22064	2.6
311.09006	2.7
311.20020	5.7
315.19400	7.2
325.21747	2.0
329.21078	16.9
341.21066	3.7
341.24878	3.7
351.12003	2.6
351.23114	2.9
355.22635	4.5
359.25479	1.7
361.28891	16.5
362.29471	2.7
369.24149	4.4
379.29965	27.1
380.30276	3.2
383.14993	2.7
383.25677	3.1
389.28375	2.2
397.31113	11.8
398.31085	2.5
399.90576	2.0
407.24960	2.1
407.29459	25.7
408.29700	4.2
425.30457	100.0
426.30811	13.8
443.15051	1.7
443.27460	5.6
443.31854	2.6
443.36066	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	443.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.2
55.01873	7.8
55.05511	74.0
57.07068	7.7
58.25368	2.9
67.05498	30.2
69.03429	7.9
69.07060	33.0
69.31208	6.2
69.31616	15.8
71.04985	3.9
71.08627	4.5
79.05483	25.7
81.07053	48.4
83.04971	4.9
83.08613	55.2
84.08949	3.5
85.06536	9.9
85.10149	3.6
86.08791	2.9
87.04458	4.2
87.43987	3.2
91.05470	12.8
93.07043	32.1
95.08598	37.0
96.08922	4.4
97.06502	3.9
97.10161	83.6
99.08090	3.8
105.07034	20.0
105.88284	2.9
107.08585	52.5
109.10154	26.7
111.08067	4.2
117.07031	3.6
119.08577	21.2
121.10155	23.0
122.10535	4.0
123.08111	4.0
123.11687	8.4
125.09617	73.1
131.08572	6.4
133.10103	15.0
135.08057	8.7
135.11662	17.2
137.13281	4.7
143.08551	4.6
143.10689	6.4
145.10112	10.9
147.11690	9.1
149.09584	3.7
149.13257	11.1
153.09108	12.7
157.10092	4.4
159.11694	10.4
161.13220	9.1
163.14856	7.8
165.09198	3.8
171.10121	7.3
171.11617	6.0
173.13208	2.8
175.14935	6.1
177.16333	2.7
185.13205	5.0
187.14711	3.7
189.11205	100.0
189.16394	4.1
190.11555	3.2
201.12779	3.3
201.16371	6.1
203.14410	3.2
215.17984	2.9
217.19618	3.8
219.17503	4.1
219.21088	4.3
237.22188	4.5
245.19206	4.1
253.12245	4.0
255.23288	4.5
383.14874	8.2
399.40646	3.5
425.34091	8.5
443.24258	6.4
443.34680	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	443.3366
Annotation	oscr#33
Peak:m/z	Relative Intensity
52.61384	3.1
53.03933	3.6
55.05504	36.5
57.03408	3.8
57.07076	24.3
67.05502	56.3
69.03439	3.6
69.07067	71.1
69.67030	7.2
69.67435	12.3
71.04984	4.6
71.08612	14.0
79.05484	41.2
81.07052	90.8
83.04977	5.2
83.08610	41.5
85.06537	11.0
85.10158	8.1
86.21343	4.2
87.04449	6.3
91.05454	22.1
93.07039	61.7
94.07372	4.1
95.08010	7.4
95.08599	98.9
96.08897	5.9
97.06518	16.0
97.10162	22.6
98.23335	3.1
99.08095	6.8
101.06002	3.5
105.07030	35.7
107.08588	70.5
109.06510	10.8
109.10151	54.3
110.10484	4.5
111.08064	11.8
111.11700	6.7
113.09646	4.0
115.07531	3.6
117.06991	7.8
119.08566	44.6
121.10135	64.2
122.10449	5.7
123.08042	7.8
123.11710	30.1
125.09614	9.3
127.11227	5.9
131.08524	13.9
133.10098	32.5
135.08066	4.8
135.11691	50.9
136.11998	5.2
137.09602	5.3
137.13240	8.8
139.07552	20.2
139.11235	20.5
145.10121	22.8
145.71501	3.6
147.11652	26.7
149.09634	5.9
149.13228	25.4
151.11195	8.5
153.12738	11.6
157.10071	7.2
157.12231	8.4
159.11676	12.9
161.13226	19.3
163.14781	15.2
165.09090	6.2
167.10638	4.3
171.11644	8.1
173.13181	7.3
175.01535	3.8
175.14803	12.7
177.16339	9.1
182.75571	3.3
185.13225	9.0
187.14830	8.3
189.16328	8.8
191.17943	12.7
192.74127	3.4
195.13737	9.6
199.14920	5.4
201.16383	6.9
202.16698	4.4
203.14264	10.2
203.17924	4.5
205.15877	7.1
205.19504	15.9
207.17424	5.9
215.17903	7.8
217.19438	5.5
219.17561	5.7
223.20580	11.1
251.20082	14.6
269.21216	4.5
287.22128	100.0
287.25217	6.8
288.22369	5.8
383.14893	7.0
407.32986	6.9
425.33905	28.0
443.34970	58.6
444.35037	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	443.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.3
55.05509	20.4
57.03443	3.0
57.07080	6.8
60.43829	2.1
65.03940	2.0
66.17422	2.1
67.05506	24.3
69.07065	19.2
71.04993	2.9
79.05514	12.7
81.07057	34.9
82.16110	2.1
83.04990	4.3
83.08611	22.7
85.06564	3.9
91.05499	11.8
93.07048	24.5
93.07523	2.3
95.05011	6.2
95.08599	44.0
95.09126	3.0
97.06569	6.1
97.10210	3.4
98.23357	8.1
105.07037	26.2
107.08596	32.4
107.09257	2.4
109.06560	8.4
109.10154	22.5
110.10465	2.2
111.08131	8.2
111.84859	1.9
117.07033	4.0
119.08582	25.7
121.06529	3.0
121.10141	23.0
123.08118	6.0
123.11708	12.6
125.09687	4.4
129.07005	3.6
129.09174	3.6
131.08617	8.0
133.10107	18.0
135.08118	6.1
135.11685	20.4
135.12465	1.8
137.09647	3.3
137.13361	2.6
139.11284	3.7
143.08653	6.0
145.10127	13.6
147.08116	4.5
147.11716	10.3
149.09627	5.6
149.13316	9.7
151.11143	3.2
153.05444	2.2
153.12845	2.9
157.10208	3.8
159.08144	5.2
159.11687	10.0
161.09694	8.3
161.12096	2.1
161.13234	11.5
163.11162	3.5
163.14911	8.0
165.09052	2.1
165.12846	2.6
167.14391	2.4
171.11702	5.0
173.12003	2.6
173.13226	10.0
175.11252	6.1
175.14868	16.0
177.16490	8.1
179.14366	2.3
185.13345	2.9
187.14871	5.6
189.12852	4.0
189.16388	15.0
191.07201	2.2
191.18011	6.2
197.13358	3.3
199.14894	5.3
201.16466	4.9
203.14394	4.9
203.17981	2.9
205.15933	3.3
207.17545	6.2
211.14868	2.4
213.16437	3.9
215.14386	3.9
215.18002	4.9
217.15900	9.8
219.10258	6.4
221.15421	2.8
227.18120	5.7
229.15871	2.3
229.19611	3.6
229.26753	2.7
231.17459	17.8
232.52332	2.4
235.16986	3.4
237.11266	13.9
243.21310	4.2
261.22281	4.4
267.21426	2.5
271.20721	7.7
273.18631	3.0
279.23132	12.1
315.12411	3.6
325.18307	2.8
329.13995	4.6
330.42789	2.5
341.17596	3.6
357.17160	3.1
371.29614	4.8
389.30762	4.3
407.33347	6.6
415.24988	5.3
419.02216	2.2
425.34534	23.3
426.34946	2.2
443.24542	53.4
443.35529	100.0
444.24875	7.5
444.35638	7.4
444.40900	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	443.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.1
53.78824	1.8
55.01875	5.9
55.05510	33.0
57.03429	4.2
57.07069	3.9
57.22846	2.1
67.05505	56.2
69.03444	2.8
69.07069	53.7
69.14516	10.9
69.14944	7.6
71.04992	8.3
71.64548	1.9
79.05493	42.6
81.07055	93.8
82.07375	2.8
83.04974	9.8
83.08617	28.2
85.06534	5.0
91.05481	19.7
93.07046	62.2
95.04961	7.4
95.08603	100.0
96.08958	3.5
97.06520	14.3
97.10181	10.1
99.08096	3.5
105.07037	31.2
107.08590	43.2
108.08925	3.2
109.06525	9.7
109.10152	48.9
109.53075	2.0
110.10467	2.1
111.08051	11.9
111.11709	4.6
117.07027	6.6
119.08579	33.1
121.06526	3.6
121.10152	44.8
122.10516	3.4
123.08081	8.4
123.11705	13.8
125.09631	4.9
129.07031	2.9
129.09065	3.2
131.08563	17.8
133.10133	25.3
134.10413	2.7
135.08058	5.8
135.11667	20.4
137.09610	7.1
137.13268	9.0
139.11163	21.2
143.08554	7.1
144.09306	2.4
145.10150	19.9
147.04459	2.2
147.07991	2.1
147.11682	16.2
149.09607	3.9
149.13254	13.8
151.11224	5.2
155.08560	2.3
157.10139	7.8
159.11668	16.0
161.09616	4.8
161.13225	10.3
163.11137	2.9
163.14796	8.5
165.12669	2.6
171.11674	7.2
173.13283	12.6
175.11188	3.6
175.14792	9.9
177.12741	4.3
177.16443	5.5
177.38271	2.1
179.14278	3.0
183.11673	3.5
185.13237	5.7
187.14835	9.8
189.12773	3.1
189.16353	9.2
191.14320	4.9
191.17938	3.5
193.16010	2.6
195.11790	2.7
195.13736	2.6
199.14844	5.1
201.16313	4.7
203.14331	4.9
203.17905	10.7
205.15857	4.8
207.17380	3.6
209.13446	2.3
209.15363	4.1
213.16225	2.9
215.17924	12.0
229.15804	2.6
231.17285	3.0
233.19006	20.4
237.16386	2.1
243.21140	2.8
251.20041	63.5
252.20361	3.9
261.22141	7.5
269.21121	30.3
279.23270	22.5
297.24274	2.5
337.30130	2.0
371.29370	9.7
389.30542	26.7
407.31937	20.4
425.33612	6.7
443.30649	7.2
443.35229	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	443.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.8
55.01872	5.8
55.05262	2.6
55.05510	37.8
57.03434	4.2
57.07072	3.8
59.04998	1.7
59.83296	1.5
60.71962	1.3
65.03931	1.9
67.05504	59.8
69.03438	2.9
69.06712	3.2
69.07066	47.6
69.21532	3.4
69.21937	10.7
70.07388	1.7
71.04990	7.2
71.08624	1.9
74.42626	1.6
79.05491	37.9
81.03418	1.8
81.07053	92.0
82.07397	1.6
83.04986	8.4
83.08617	27.8
85.06535	4.5
91.05466	16.0
92.16908	1.7
93.07046	53.4
94.07374	3.7
95.04991	10.3
95.08604	100.0
97.06540	15.8
97.10171	13.4
98.22688	3.2
99.08112	3.8
105.07023	24.0
107.08592	37.0
109.06551	4.7
109.10149	49.6
109.10896	2.6
110.10491	1.6
111.08113	12.8
111.11708	5.2
113.05969	1.6
113.09641	2.2
114.42424	1.8
117.07036	6.8
119.08572	26.2
121.06512	2.0
121.10136	48.3
122.89653	1.7
123.08067	7.3
123.11708	17.6
125.09625	5.1
127.07523	1.7
129.09125	2.5
130.07721	1.7
131.08577	13.9
133.10130	23.7
135.08038	3.6
135.11682	16.9
137.09573	7.9
137.13272	5.8
139.07506	1.8
139.11177	23.4
143.08617	4.2
145.10106	17.9
147.08006	1.9
147.11687	14.0
149.09593	3.6
149.13261	11.5
151.11172	4.8
153.09041	2.1
153.12750	1.8
155.08514	3.0
157.10112	6.5
159.11682	16.6
161.09616	2.6
161.13239	8.2
162.13593	1.6
163.11176	3.5
163.14836	6.0
165.09198	2.1
171.11679	4.9
173.09637	2.1
173.13278	8.4
174.69664	1.6
175.11128	3.1
175.14851	6.1
177.12798	3.7
177.16389	3.1
185.13306	4.0
187.13332	2.9
187.14842	8.4
189.12785	2.5
189.16437	9.4
191.14322	3.6
191.17958	3.5
195.13794	2.7
199.14806	3.4
201.16399	5.4
203.14331	5.7
203.17958	3.3
205.15933	9.9
207.17485	3.7
209.15233	2.7
213.16348	4.0
215.18007	8.7
217.15877	4.8
219.14153	1.9
219.17365	2.1
223.16826	1.7
233.18993	18.5
235.16997	3.5
237.18382	1.8
239.72408	1.7
243.20993	3.2
251.20058	63.1
252.20313	3.7
261.22009	7.4
269.21094	29.5
270.21475	2.9
279.23203	20.0
297.24380	2.3
347.25739	3.8
371.29468	10.3
372.29318	1.9
389.30618	27.9
390.30887	2.5
407.31656	25.1
408.31961	2.5
425.33362	7.8
443.30502	7.4
443.35062	28.3
444.36191	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3517
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
53.03922	2.4
55.01870	3.3
55.05503	20.8
57.03428	2.5
57.07063	5.6
59.04998	2.6
60.62797	2.2
67.05509	21.7
69.07063	34.7
69.59445	3.9
69.59855	7.5
71.05008	2.9
71.08601	2.8
79.05491	19.1
81.07053	49.9
83.04968	5.6
83.08612	11.6
85.06548	6.5
87.04499	2.2
91.05479	20.5
93.07038	55.9
95.04962	5.1
95.08604	75.4
95.09207	4.1
97.06538	4.6
97.10159	19.1
98.22610	2.3
99.08107	5.5
101.06031	2.8
105.07027	33.0
107.08585	78.4
108.08914	4.8
109.06504	5.4
109.10157	44.2
110.10442	3.3
111.08096	9.2
113.09669	5.0
117.07021	5.1
119.08572	75.3
120.08950	2.4
121.06432	2.1
121.10137	50.3
123.08069	5.9
123.11697	18.2
125.09605	12.0
129.07045	2.6
131.08542	18.2
133.10123	31.9
135.08049	14.8
135.11688	32.2
137.09648	6.0
137.13237	5.6
139.11192	13.9
143.08611	7.9
144.09317	2.7
145.10109	38.5
147.11670	20.9
149.09601	10.1
149.13286	14.5
151.11212	9.0
151.14769	3.1
153.12758	13.2
156.09378	2.0
157.10063	11.8
159.11687	54.5
159.12923	3.5
160.12137	2.3
161.09613	5.0
161.13231	18.0
163.11200	8.3
163.14815	49.7
165.12758	3.7
169.10133	6.4
170.10905	2.5
171.11719	8.1
173.13284	17.9
175.11171	10.1
175.14793	14.3
177.12766	7.9
177.16412	9.7
179.10713	3.5
179.14345	5.2
181.15855	40.3
183.11711	7.3
185.13286	8.3
187.14841	24.3
189.12711	5.8
189.16365	12.1
191.14343	6.6
191.17975	9.1
193.15811	3.2
199.14870	8.0
201.12749	2.6
201.16377	45.0
202.16586	2.8
203.14299	14.1
205.15872	8.3
207.17459	7.1
211.14751	3.2
213.16345	13.6
215.17938	2.5
219.17429	97.5
220.17799	6.0
223.15002	2.4
225.16379	8.1
227.17899	14.8
229.15761	2.5
229.19592	5.3
231.17465	7.7
233.18979	4.9
237.18471	42.1
243.17375	17.7
245.18971	4.0
247.20644	6.8
250.88857	2.4
261.18613	5.3
269.22681	4.2
281.22729	4.2
287.23849	2.9
299.23749	4.3
336.90775	2.2
383.33017	2.7
389.31812	6.1
407.33136	40.8
408.33478	6.1
425.34091	95.6
426.34552	10.8
443.35239	100.0
444.35358	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	443.3518
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
53.03934	4.5
55.05508	17.9
57.07065	9.2
63.70686	2.2
65.03931	2.7
67.05500	23.7
69.03425	3.4
69.07066	35.1
69.09776	8.9
69.10197	10.2
71.05010	4.6
71.08643	2.3
79.05495	35.6
81.07059	52.3
82.07378	3.3
83.04982	5.6
83.08622	13.7
85.06548	9.7
87.04471	9.6
91.05478	25.0
93.07050	71.8
94.07352	2.6
95.04979	3.6
95.08611	62.2
96.08948	3.9
97.06515	8.9
97.10165	13.0
98.23277	4.4
99.04451	2.3
99.08105	3.5
105.07033	34.6
106.07365	3.3
107.08595	99.4
108.08918	5.0
109.06514	9.6
109.10161	48.5
111.08078	8.8
111.11703	2.8
117.07008	6.3
119.08588	65.9
120.08949	2.6
121.06490	4.2
121.10152	50.7
122.10444	3.4
123.08025	5.4
123.11703	21.9
125.09619	5.8
127.11123	3.4
129.07030	2.6
131.08566	18.4
133.10135	41.3
135.08060	10.5
135.11690	74.5
136.12039	4.1
137.09589	5.4
137.13254	4.6
139.07501	2.3
139.11209	13.3
143.08539	8.3
145.10150	36.0
147.11691	26.3
149.05884	2.3
149.09627	10.0
149.13252	16.4
151.11200	8.6
153.12717	6.4
157.10106	11.7
159.11697	35.6
161.09654	5.9
161.13275	19.8
163.11206	9.6
163.14832	60.6
164.15230	2.9
165.09119	9.4
167.10745	3.3
169.10141	6.0
170.10956	2.4
171.11678	8.4
172.12462	2.5
173.09621	3.3
173.13245	17.5
174.13696	2.6
175.11180	7.8
175.14833	30.3
176.15146	2.9
177.09007	3.4
177.12726	6.6
177.16368	13.9
179.10643	3.0
179.14340	3.7
181.15852	26.4
181.99760	2.4
183.11685	2.8
185.13284	11.0
187.14821	23.4
189.12758	3.9
189.16393	32.1
190.16760	3.8
191.14293	9.1
191.17969	14.0
192.18312	3.8
193.05003	6.5
193.15887	7.8
199.14839	7.8
201.16399	30.5
203.14331	13.0
203.17990	8.0
205.15855	16.2
207.06653	2.5
207.17438	21.9
209.15344	3.3
211.14886	3.6
213.16470	15.0
215.18056	11.8
217.15828	4.8
217.19485	4.2
219.17448	69.8
220.17770	5.1
221.15298	2.6
225.16431	4.9
227.17982	6.8
229.19478	6.2
231.17421	5.1
233.18950	5.9
235.16895	3.6
237.14833	9.1
237.18542	24.4
239.17944	2.5
241.19528	2.8
243.17436	12.5
243.21037	3.0
245.19115	4.5
247.20618	4.9
251.20143	3.7
255.21040	5.1
259.20566	3.6
261.11243	3.5
261.18564	4.1
265.19608	3.8
267.39426	2.3
271.20514	3.2
299.23685	3.2
315.12222	5.6
321.20679	2.7
343.18997	2.6
389.31961	9.1
397.34738	6.5
407.28891	2.5
407.33231	27.6
408.33295	5.5
425.34457	60.8
426.34525	9.6
433.67822	2.8
443.24979	40.8
443.35461	100.0
444.24545	4.8
444.35385	13.2
444.40659	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	443.3518
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
53.03947	2.3
55.01869	4.2
55.05508	10.1
57.03444	1.8
57.07075	3.3
57.98943	1.4
60.03527	1.3
67.05503	14.9
69.07074	13.6
69.54096	8.4
71.05002	1.5
79.05483	11.1
81.07054	24.2
81.65160	1.7
83.04980	6.2
83.08626	5.3
91.05479	15.5
93.07044	28.2
93.07608	1.0
94.07387	1.7
95.04967	3.7
95.08595	33.2
96.08941	1.8
97.06549	3.2
97.10155	3.5
101.06018	4.9
105.07022	27.4
106.07323	1.9
107.08585	38.5
108.08976	1.8
109.06504	8.9
109.10159	21.3
111.08101	3.7
113.09702	1.6
115.07642	2.0
117.06998	3.8
119.08573	39.8
119.09395	2.6
120.08884	1.4
121.06554	1.7
121.10150	30.9
122.10509	1.9
123.08075	7.9
123.11680	9.1
125.09650	2.7
129.06989	3.0
131.08554	8.6
133.10133	27.1
134.10440	1.3
135.08092	2.6
135.11678	22.9
137.09613	5.1
137.13228	2.1
139.11194	11.8
143.08556	8.1
145.10114	18.4
147.08054	2.5
147.11673	20.1
149.09665	1.7
149.13242	8.5
151.11185	14.7
151.14850	1.5
152.15302	1.5
153.12790	2.3
157.10103	6.5
159.11667	15.0
161.09622	4.0
161.13261	23.3
163.14825	23.6
165.12766	1.5
169.10176	2.4
171.11707	6.0
173.13251	10.7
174.13565	1.5
175.11136	1.8
175.14798	7.2
177.12804	3.0
177.16322	2.2
179.14308	42.2
180.14737	1.5
181.15906	5.2
183.11615	1.9
185.13275	5.3
187.14825	12.7
189.12759	5.3
189.16327	8.1
191.17934	3.6
193.15907	1.8
197.13229	2.0
199.14798	8.0
201.16368	30.0
202.16695	2.8
203.14447	2.6
203.17949	25.1
204.18336	2.1
205.15872	1.7
207.13820	4.4
207.17505	2.7
213.14348	1.3
213.16377	6.0
215.17987	6.3
217.15860	32.6
218.16203	2.0
219.17436	7.4
223.14684	1.6
225.16333	1.5
227.17932	9.4
229.19511	3.2
235.16911	52.7
236.17395	4.3
241.19434	2.2
245.18990	4.3
253.19569	2.0
255.21130	3.1
257.22571	1.8
265.19415	1.6
269.22647	6.3
311.23526	1.9
355.95322	1.3
389.32285	3.0
407.33072	100.0
408.33466	14.2
425.34210	21.5
426.34238	2.0
443.35510	24.0
444.35339	3.9
444.40851	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3518
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
53.03930	0.9
53.14405	0.7
55.05505	7.2
57.03423	0.7
57.07075	6.2
59.04999	0.9
64.80358	0.6
67.05507	7.2
69.03416	0.9
69.07066	14.3
69.24386	2.7
69.24809	2.6
71.04994	1.7
71.08632	3.8
77.81271	0.7
79.05481	5.1
81.07052	21.0
82.07389	0.7
83.04988	0.7
83.08620	4.4
85.06555	3.3
85.10174	1.9
91.05479	6.0
93.07034	10.0
94.07343	0.7
95.04926	0.9
95.08598	19.7
97.06512	1.7
97.10177	4.4
99.08070	1.2
105.07021	9.7
106.07340	0.8
107.04985	1.3
107.08593	11.8
109.06543	1.6
109.10155	12.7
111.08052	2.4
111.11714	2.0
113.09646	1.4
117.07010	2.3
119.08572	12.8
120.08911	0.7
121.06488	1.2
121.10140	14.1
122.10426	0.9
123.08057	1.9
123.11689	4.7
125.09596	1.6
127.11192	1.2
129.06969	0.8
131.08586	4.5
133.10124	13.2
134.10420	1.0
135.08008	1.0
135.11684	5.8
136.12080	0.7
137.09615	1.1
137.13231	2.3
143.08560	3.2
145.10138	9.3
146.10390	0.9
147.11676	8.4
149.09682	1.1
149.13248	5.1
151.14867	1.1
155.08557	2.8
157.10156	5.2
159.08096	1.4
159.11678	5.6
161.09625	1.6
161.13251	5.5
163.11201	0.8
163.14799	1.9
165.12689	0.8
169.10069	4.2
171.11667	2.3
173.09619	2.5
173.13251	4.4
175.11137	1.7
175.14822	8.2
177.09105	1.2
177.12811	0.8
177.16362	2.5
181.10117	1.2
183.11696	7.1
185.13228	2.9
187.11211	1.4
187.14857	3.0
189.16400	3.3
191.10611	1.9
191.17931	1.7
193.15880	9.0
193.17485	1.0
195.11743	1.2
196.12376	1.0
197.13248	2.1
199.14861	2.7
201.12701	2.9
201.16353	2.8
203.14272	0.9
203.17999	1.4
211.11055	1.0
211.14793	3.4
212.15334	0.7
213.16342	3.1
213.18259	0.9
215.14311	1.0
215.17972	1.2
217.19489	1.5
223.14885	1.2
224.15486	0.8
225.16325	4.8
229.19591	1.5
231.21037	0.9
232.86322	0.7
237.16275	1.0
237.22073	0.8
239.14305	2.1
239.17958	1.8
249.16408	1.8
251.17807	1.2
257.15280	0.8
267.17517	2.4
285.18619	1.4
285.25699	1.2
325.28818	1.0
365.32190	1.9
379.33603	1.4
383.14832	1.8
389.32220	1.2
401.12274	0.8
407.32983	8.1
425.33682	9.6
426.33984	1.0
443.35117	100.0
444.35413	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	443.3521
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
53.03938	2.3
55.01842	2.3
55.05505	16.8
56.72440	1.5
57.07080	7.8
59.04983	2.4
65.03903	2.5
67.05505	27.4
69.03396	3.0
69.07065	50.9
69.28295	10.8
71.04962	4.9
71.08614	2.5
71.93395	1.5
79.05492	19.3
81.07051	60.7
82.07376	2.6
82.27763	1.6
83.04958	2.1
83.08617	16.4
85.06541	17.1
87.04419	2.8
91.05470	16.5
93.07041	43.1
95.04910	4.2
95.08603	100.0
96.08922	4.0
97.06508	8.2
97.10180	9.6
98.22595	3.1
99.04401	2.5
99.08035	4.9
105.07030	32.0
107.08588	52.4
109.06425	5.8
109.10149	50.7
110.10409	2.0
111.08080	27.4
111.11644	6.1
113.09589	3.4
115.07527	1.6
117.06944	5.2
119.08572	47.7
120.08792	1.7
121.06433	3.2
121.10139	44.3
122.10413	3.0
123.08009	5.5
123.11702	25.5
125.09606	4.4
125.13253	2.0
129.06943	3.3
131.08574	15.8
133.10123	26.7
134.10480	2.6
135.07976	4.8
135.11691	28.4
137.09631	7.8
137.13181	6.8
139.11183	11.0
143.08537	7.7
145.10110	34.1
147.07932	1.8
147.11697	21.8
149.09523	4.0
149.13264	19.1
150.13486	2.2
151.11183	3.5
151.14792	2.0
155.08583	1.9
157.10037	7.6
158.10756	1.7
159.11667	28.8
161.09550	3.2
161.13263	19.6
163.11089	3.4
163.14842	15.7
165.08997	6.6
165.12700	7.7
167.10579	2.5
171.11580	6.1
172.12366	1.7
173.13254	21.9
174.13596	2.3
175.11125	2.7
175.14787	18.7
177.12604	3.4
177.16393	8.8
179.14203	3.4
181.12102	3.4
183.11546	2.6
185.13136	7.4
187.11092	2.2
187.14807	27.5
189.16379	12.2
191.14110	4.0
191.17841	5.5
193.15825	4.2
195.11697	1.5
196.87337	1.6
197.13031	1.7
199.14798	10.3
201.16362	15.9
202.16602	2.1
202.91098	1.6
203.14154	6.1
203.17987	7.7
205.15933	3.3
207.17233	2.7
213.16383	14.3
215.17786	6.8
217.15887	2.2
217.19374	2.8
221.47382	1.7
227.17825	4.4
229.19385	6.3
237.18446	2.9
241.19446	3.0
243.20842	2.6
245.18951	2.9
247.07320	2.2
247.20474	2.0
255.20712	2.5
257.22635	2.1
269.22479	2.9
275.23483	1.9
301.25009	2.7
311.26947	1.8
315.26593	2.1
317.28220	2.3
331.26172	3.1
355.30276	1.8
375.62936	2.0
383.14758	11.7
407.32813	4.6
425.33926	50.8
426.33942	6.6
443.34668	60.1
444.34830	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	443.352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.2
55.01859	0.4
55.05508	2.3
56.16251	0.2
57.03431	0.5
57.07076	3.8
59.05000	0.3
65.03925	0.3
66.57307	0.2
67.05502	3.8
69.03442	1.1
69.07063	2.9
71.04991	2.1
71.08624	0.2
77.03917	0.2
79.05492	3.0
81.07056	6.1
83.01335	0.9
83.04971	1.2
83.08610	2.1
83.16633	0.2
85.06543	2.5
91.05470	3.1
93.07042	6.2
93.79655	0.2
95.04968	0.7
95.08605	8.4
96.08944	0.3
97.06525	1.0
97.10168	0.9
98.23390	0.3
103.05438	0.3
105.07025	6.6
106.07341	0.2
107.04987	0.3
107.08590	9.7
108.08923	0.3
109.06529	1.2
109.10151	6.7
111.08083	1.3
115.05473	0.3
117.07051	0.9
119.08572	8.1
120.08896	0.2
121.06506	1.1
121.10138	6.2
123.08073	1.2
123.11695	2.6
125.06043	0.2
125.09650	0.9
127.07542	0.2
127.11166	0.5
128.35091	0.2
129.06996	0.9
131.08583	2.3
133.06477	0.4
133.10126	7.5
134.10481	0.5
135.04407	0.3
135.08047	1.4
135.11685	6.4
136.12032	0.3
137.06003	0.5
137.09610	1.5
137.13246	1.0
139.07520	0.2
139.11162	0.3
142.07788	0.4
143.08569	1.5
144.09344	0.3
145.06479	0.3
145.10126	4.5
147.08063	1.1
147.11682	5.0
148.12123	0.2
149.06032	0.3
149.09610	1.8
149.13252	2.9
151.07439	0.4
151.11160	1.1
153.05478	0.3
153.09137	0.4
153.12744	0.4
155.08591	0.6
156.09384	0.3
157.10120	2.1
158.07324	0.2
158.10738	0.3
159.08084	0.4
159.11702	3.5
161.05965	0.5
161.09602	1.0
161.13257	3.8
162.06754	0.2
163.07549	1.0
163.11200	1.4
163.14806	2.0
165.09106	0.7
165.12775	0.4
167.10669	0.3
169.10077	0.5
170.10954	0.2
171.07947	0.3
171.10423	0.3
171.11684	1.4
173.09657	0.6
173.13242	2.1
175.06137	0.2
175.07599	0.7
175.11185	0.8
175.14816	2.5
176.08464	0.4
177.05453	0.5
177.09142	1.2
177.12788	1.6
177.16388	0.7
179.03372	0.7
179.14291	0.5
180.52074	0.2
181.10081	0.3
183.11708	0.7
185.09560	0.4
185.13240	2.0
187.07628	0.2
187.11221	0.5
187.14818	2.8
188.15193	0.2
189.09120	0.8
189.12788	0.6
189.16368	3.7
191.06990	1.4
191.10704	0.7
191.14294	1.1
191.17964	0.9
192.07791	0.5
193.08598	0.8
193.15932	0.4
195.11734	0.4
197.09731	0.2
197.13242	0.5
199.07526	0.3
199.11157	0.4
199.14830	1.5
201.09137	0.7
201.12772	0.5
201.16411	1.8
203.07069	0.6
203.10649	0.4
203.14307	4.1
203.17955	2.9
204.07825	0.4
204.14676	0.3
205.08586	2.8
205.15848	1.3
205.19522	0.3
206.09268	0.7
207.06599	0.2
207.09935	0.2
207.17406	2.2
208.17865	0.2
210.10416	0.3
211.14890	0.5
213.09129	0.7
213.12834	0.3
213.16415	0.8
214.09729	0.3
215.06956	0.5
215.10695	0.4
215.14395	0.6
215.17932	0.6
217.05002	0.2
217.08670	0.3
217.12277	0.2
217.15913	1.0
217.19559	0.3
219.06552	0.3
219.10164	2.3
219.13687	0.5
219.17403	0.3
221.08025	0.3
221.18979	0.4
223.09651	0.6
225.09116	0.6
225.16345	0.5
226.09903	0.8
227.06985	0.3
227.10664	0.6
227.17952	0.8
228.07793	0.4
229.08727	0.9
229.12225	0.4
229.15895	0.4
229.19586	0.3
231.10184	0.4
231.17458	0.5
232.10934	0.2
233.08043	0.3
233.11748	0.4
233.15363	0.7
237.11281	0.8
239.10680	0.4
239.17998	0.5
240.11481	0.4
241.08600	0.8
241.12320	0.8
241.19601	0.3
242.09200	0.5
243.10204	1.0
243.13730	0.4
243.17461	0.5
244.07269	0.3
245.08034	1.1
245.11716	0.4
245.19136	0.4
247.09676	0.2
251.10748	0.3
251.14461	0.3
253.12370	0.4
253.19563	0.8
254.09393	0.4
255.10196	1.5
255.13684	0.4
255.21046	0.7
256.10889	0.7
257.08069	0.5
257.11670	1.5
258.08835	0.3
259.09906	0.4
259.13312	0.7
261.11237	0.4
261.14899	0.5
265.12125	0.3
267.10208	0.4
267.21060	0.5
268.10992	0.5
269.08014	0.3
269.08493	0.3
269.11688	2.8
270.12396	0.6
271.09988	0.3
271.13339	1.5
271.20477	1.3
273.07828	0.3
273.11197	1.2
273.14807	0.6
273.22141	0.7
275.12723	1.3
277.14383	0.3
279.10196	0.9
279.16040	0.4
280.10980	0.4
281.11731	2.8
282.08917	0.9
282.12396	0.6
283.09647	0.6
283.13339	1.8
284.13968	0.5
285.07623	0.8
285.11157	0.3
285.14868	0.3
287.12778	1.0
288.13461	0.5
289.14252	1.1
293.11810	1.1
294.12448	0.6
295.09821	0.4
295.13254	2.1
296.10455	0.6
296.13882	0.3
297.11273	5.6
297.14847	0.8
298.11737	0.5
299.12747	2.5
299.16046	0.3
301.10745	0.4
301.14337	0.5
303.12323	0.3
303.15741	0.3
307.13248	1.3
308.14114	0.6
309.11639	0.4
309.14850	1.3
310.12045	0.8
310.15332	0.3
311.12787	4.3
311.16333	0.6
312.13141	0.4
313.14386	1.9
313.17883	0.4
315.12271	7.3
315.15759	0.5
316.12704	0.8
317.13892	0.6
317.17432	0.3
321.15082	1.0
321.18466	0.2
322.15552	0.3
323.12744	0.4
323.16351	1.8
325.14340	1.8
325.18024	2.1
326.14932	0.3
327.12509	0.3
327.15985	1.1
327.19479	0.4
329.13828	6.9
329.17319	0.4
330.14325	0.6
331.19092	0.3
335.12723	0.6
337.10767	0.3
337.17984	0.6
338.11520	1.3
339.15918	1.8
339.19693	1.1
340.16553	0.6
341.17487	4.2
342.14362	0.4
342.18076	0.9
343.11630	0.6
343.15378	2.2
343.19080	2.9
344.15823	0.5
344.19540	0.5
345.20633	0.6
351.15771	0.3
351.26669	0.3
352.13022	0.4
353.13831	1.5
355.19128	0.7
356.19806	0.9
357.16928	2.8
357.20688	1.6
358.17496	1.7
359.18533	1.5
367.15302	1.4
368.15820	0.4
369.16953	1.9
371.14862	2.6
371.18832	0.2
372.14929	0.5
372.19324	0.6
373.20050	0.7
379.29944	0.3
381.24243	0.4
383.18491	0.6
385.16324	3.7
385.20645	0.3
387.17999	2.4
389.32040	0.7
397.23749	0.5
399.18082	0.8
399.25354	1.8
400.26047	0.3
401.18848	0.2
401.23575	1.1
407.22159	0.3
407.33121	3.8
408.33585	0.5
415.24759	8.3
416.25101	1.2
425.23264	1.6
425.34229	4.8
426.23535	0.4
426.34955	0.4
443.24298	100.0
443.34952	36.1
444.24619	13.9
444.35239	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	443.352
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
55.01873	7.4
55.05513	25.7
57.03426	2.6
57.07061	10.6
65.03965	3.9
67.05511	44.8
69.03437	3.7
69.07063	33.8
70.49066	7.1
71.04991	8.6
79.05489	33.9
81.07053	67.0
83.04965	6.8
83.08609	16.1
85.06522	9.5
91.05467	33.2
93.07042	68.2
94.07405	3.8
95.04975	7.9
95.08608	100.0
96.08954	4.9
97.06523	21.4
97.10177	9.7
99.04440	6.0
99.08051	4.0
102.41238	3.0
105.07026	53.7
107.04998	3.6
107.08594	92.1
108.08976	4.2
109.06483	20.1
109.10146	54.2
111.08069	10.0
117.07005	12.4
119.08582	86.0
120.08902	5.5
121.06488	5.8
121.10146	65.3
122.10433	4.6
123.08047	16.1
123.11694	26.1
125.09575	6.6
129.07022	6.9
131.08569	28.9
133.10130	54.4
134.10468	6.6
135.08037	14.6
135.11691	46.8
137.05960	3.3
137.09618	12.4
137.13225	7.8
139.11160	6.6
141.06972	3.0
142.07735	6.5
143.08565	15.7
145.10112	46.1
146.10580	5.1
147.08057	5.7
147.11682	41.9
148.11945	3.1
149.09619	9.0
149.13260	19.9
151.11174	11.2
155.07335	3.3
155.08521	4.4
155.10757	3.3
157.10138	21.4
159.11703	33.8
161.09618	11.6
161.13239	41.8
163.11148	7.1
163.14821	48.6
165.09100	3.6
169.10143	10.7
171.11699	18.8
173.09674	6.7
173.13277	31.5
175.11169	10.7
175.14819	24.7
177.12772	6.4
177.16479	14.6
178.16843	3.3
179.14342	16.4
183.11699	11.8
185.13240	12.9
187.14766	25.1
189.09207	4.2
189.12758	7.8
189.16368	23.6
190.16658	3.9
191.06966	4.0
191.14322	9.5
191.17932	13.4
195.13858	7.7
197.13341	6.9
199.14816	17.4
201.12753	7.5
201.16388	18.8
203.10672	6.4
203.14343	8.3
203.17944	18.6
205.15892	10.9
207.06561	6.2
207.13722	4.8
207.17441	15.6
209.13367	4.5
211.14830	4.1
213.12862	4.0
213.16461	10.7
215.14296	4.0
215.17947	10.2
217.15874	23.5
217.19447	8.3
221.15497	4.3
227.17967	13.4
229.15869	5.5
229.19370	4.6
231.17383	4.3
233.15372	3.2
235.16954	77.7
236.17180	4.1
239.61328	3.6
241.19505	6.6
243.21043	7.5
245.18954	5.9
255.21075	5.8
267.20865	4.0
325.25076	5.3
356.27380	3.4
379.29987	5.6
383.33478	4.1
397.31085	9.3
399.11703	3.2
407.33157	14.1
425.29886	16.5
425.34103	34.6
443.14932	4.2
443.23505	6.4
443.30444	16.1
443.35107	64.9
444.35721	9.0
459.57990	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3519
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
53.03934	3.0
55.01861	2.3
55.05266	1.9
55.05508	27.1
57.03431	4.1
57.07072	10.5
59.04974	2.1
67.05501	21.9
69.03407	4.6
69.07061	22.6
69.08437	15.7
71.04984	3.9
79.05496	15.5
80.77427	1.3
81.07053	45.0
82.07379	1.7
83.04967	3.8
83.08623	8.2
85.02898	4.2
85.06535	22.5
91.05479	14.5
91.28301	1.4
93.07041	37.9
94.07339	2.7
95.04947	2.8
95.08602	67.9
96.08922	3.2
97.06493	5.9
97.10166	66.7
98.10475	2.6
98.23434	1.5
99.08073	4.9
104.07089	2.9
105.06372	2.0
105.07029	33.0
107.08589	51.2
108.08909	2.7
109.06486	6.4
109.10148	31.7
110.10466	1.8
111.08064	6.0
111.11703	1.7
113.05984	2.9
113.09644	2.9
117.06991	4.4
119.08575	34.9
120.08872	1.9
121.06467	7.0
121.09280	2.8
121.10139	44.5
122.10420	2.1
123.08057	6.1
123.11688	15.9
124.12024	2.0
125.09641	14.0
127.07518	5.9
129.07042	1.8
131.08546	10.6
133.10130	30.4
134.10440	2.0
135.08046	29.2
135.11682	39.1
136.12004	3.0
137.09601	7.7
137.13240	17.1
139.11133	5.0
142.07860	2.0
143.08525	5.4
145.10104	18.7
146.89752	1.5
147.11682	16.8
148.11931	1.7
149.09610	27.4
149.13266	13.0
151.11136	4.5
153.12682	5.0
155.08607	2.3
157.10110	9.7
159.11688	17.2
161.09621	7.4
161.12317	1.4
161.13263	16.1
162.13504	2.2
163.11127	6.0
163.14824	17.0
165.09012	5.9
166.68719	1.7
169.10155	2.5
169.12173	1.5
171.11710	8.5
173.09592	4.3
173.13257	11.7
174.13460	1.7
175.11195	3.9
175.14825	11.8
177.09029	2.3
177.12723	3.3
177.16408	10.7
179.14229	1.9
181.15863	18.2
183.11659	2.9
185.13184	6.5
187.14737	6.7
189.12694	4.2
189.16370	15.9
191.06955	2.7
191.14297	11.7
191.17961	5.2
197.13239	2.4
199.14749	7.1
201.16368	35.5
202.16637	4.5
203.14230	7.1
205.08524	3.0
205.15782	6.3
207.06447	2.8
207.13603	1.9
207.17453	8.1
208.17775	2.5
209.15349	26.5
211.14790	2.1
213.16298	5.1
215.18007	3.0
217.15814	3.1
217.19441	1.7
219.17419	5.5
220.17685	4.9
221.15356	2.1
221.18272	1.9
223.09573	1.9
225.16293	3.0
227.17854	2.0
231.17409	1.9
231.20805	2.1
237.18472	7.4
241.19530	1.9
245.19144	2.0
253.19456	1.8
267.21017	6.1
275.19943	6.9
281.11490	2.2
285.22086	8.3
289.21573	3.8
297.11179	3.0
299.12592	3.2
301.21576	4.6
303.23077	2.5
315.12076	6.3
329.24561	3.5
341.17404	2.2
369.16995	2.0
387.17731	7.2
389.31946	2.9
407.33231	13.2
415.24561	3.4
425.34171	28.6
426.34601	2.3
443.24536	44.1
443.35004	100.0
444.24551	4.9
444.35370	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	443.3518
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
51.62842	0.6
53.03949	0.7
55.05511	5.1
57.07074	1.9
61.75401	0.7
63.89438	0.6
67.05507	9.0
69.03451	1.1
69.07072	7.6
69.22093	4.4
71.05001	1.6
71.08595	0.8
74.91817	0.6
79.05507	5.2
81.06571	0.9
81.07059	16.5
81.07490	0.6
83.04997	2.5
83.08638	3.9
85.06547	1.1
86.05149	0.8
91.05477	4.4
92.70288	0.6
93.07044	12.8
95.04992	2.2
95.08607	24.3
96.08923	1.2
97.06528	2.7
97.10177	1.7
102.09229	0.7
105.07027	13.7
107.04987	0.7
107.08593	19.9
109.06520	3.0
109.10156	12.4
111.08114	2.2
111.11733	0.7
117.07034	1.7
119.08580	15.2
121.06509	4.2
121.10146	15.1
123.08084	3.0
123.11720	5.6
125.09658	1.3
129.07013	1.3
131.08568	4.5
133.06503	1.0
133.10123	10.7
135.08054	4.7
135.11710	11.0
137.09651	1.8
137.13312	1.2
139.11140	1.0
142.07826	1.0
143.08585	2.1
144.09480	0.7
145.06555	0.9
145.10129	7.0
147.08089	2.9
147.11679	9.3
149.09633	4.6
149.13300	5.0
151.11240	0.8
153.05493	1.9
153.12694	0.8
155.08585	1.5
156.09334	0.9
157.10130	3.3
159.08113	1.6
159.11688	4.0
161.09619	6.0
161.13226	4.8
161.14284	0.5
163.11217	2.0
163.14861	3.7
165.09113	1.7
165.12799	0.8
169.10170	1.5
171.10284	0.6
171.11732	3.4
173.09668	1.7
173.13255	4.7
175.11224	3.5
175.14824	9.2
177.05493	1.2
177.09166	1.4
177.12724	1.6
177.16374	6.2
179.14314	1.1
183.11736	1.8
185.13297	2.4
187.11223	1.3
187.14767	4.1
189.12785	2.9
189.16405	7.9
191.14392	1.4
191.17996	1.8
193.15768	0.7
196.56360	0.7
197.13156	1.5
199.14859	3.2
201.12766	0.9
201.16385	3.2
203.03239	0.7
203.14317	1.3
203.17923	1.0
205.15991	1.0
211.14879	1.0
213.16400	1.8
215.14378	2.2
215.17915	1.4
217.15868	5.7
217.19510	1.4
219.10229	4.5
219.17384	1.6
227.17966	3.2
229.15993	1.5
229.19586	1.4
231.17427	11.6
235.17006	2.5
237.11264	7.2
239.18062	1.0
243.17407	1.0
243.21198	1.9
245.19063	1.8
253.19536	1.2
255.20978	1.0
257.18921	1.0
267.21146	0.8
271.20618	5.3
272.20999	0.8
273.22244	0.8
281.11740	1.0
285.22147	1.3
289.21558	1.0
301.21698	0.9
311.12738	0.7
311.23654	1.4
329.14032	0.8
329.24811	0.8
338.34161	1.1
385.16125	0.8
389.32159	0.9
407.33240	3.9
408.33188	1.1
425.34256	17.0
426.34561	2.0
443.24402	9.5
443.35239	100.0
444.35559	12.4
444.40720	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	443.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	14.4
57.07090	9.4
60.20868	7.0
67.05506	17.3
69.07068	28.2
69.30422	25.8
69.30849	32.0
79.05503	15.3
81.07066	52.0
83.08617	15.8
87.04495	6.9
91.05489	14.6
93.07053	25.6
95.08604	59.4
98.23355	15.7
99.08064	9.2
105.07050	20.0
107.08608	32.9
109.10120	38.2
112.02707	7.1
119.08556	51.3
121.10155	27.7
123.11722	20.8
133.10156	16.7
135.11699	20.3
145.10083	14.5
147.11723	25.5
149.13322	20.5
150.11414	7.8
151.58423	6.8
157.10095	7.1
159.11719	11.5
161.13254	17.5
173.13260	7.4
175.14830	21.6
177.16496	12.7
203.14302	100.0
203.17964	8.7
218.28159	8.1
235.04611	7.9
254.45746	8.3
425.34018	32.8
426.34616	13.1
443.34286	41.4
444.35052	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	27.8
56.01561	5.0
57.07066	18.8
63.12674	4.9
67.05495	41.6
69.04011	27.1
69.04432	20.3
69.07060	78.6
71.04990	7.1
71.08661	5.0
79.05495	27.8
81.07059	95.0
82.07416	4.7
83.08620	26.9
85.06528	26.2
87.04482	6.4
91.05466	18.5
93.07035	50.5
95.08597	100.0
97.06520	9.8
97.10136	12.7
99.08090	11.4
105.07026	28.6
107.08585	70.8
109.06482	4.5
109.10154	78.2
111.08077	8.7
117.07030	5.7
119.08564	40.7
121.10134	60.1
123.11687	38.3
125.09639	9.0
127.11182	13.3
131.08527	9.6
133.10109	47.2
135.11681	44.0
137.09618	9.7
137.13258	19.4
139.11151	7.1
145.10098	17.9
147.11676	30.0
149.13239	30.2
151.11104	6.7
151.14845	5.3
153.12808	4.3
159.11668	16.6
161.13226	22.2
163.11234	4.7
163.14796	14.7
165.12740	10.2
173.13219	11.1
175.14874	23.4
177.12566	4.1
177.16418	13.3
185.08337	4.1
185.13312	4.4
187.14890	8.5
189.16368	13.4
191.17949	41.3
201.16382	12.3
203.04999	4.4
203.17972	15.7
205.19490	5.4
215.17880	7.6
217.19521	20.6
233.19077	4.8
245.18979	4.5
285.25760	6.2
299.27393	4.7
301.25195	4.6
425.37952	31.1
426.38300	9.0
443.33838	16.1
443.38748	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	443.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	20.3
57.07069	10.8
59.04975	4.5
60.16186	3.0
60.51802	3.2
67.05505	32.9
69.07064	37.8
71.04990	5.0
71.08623	3.9
79.05484	24.0
81.07052	64.4
83.04964	5.2
83.08619	18.4
85.06544	6.6
91.05473	19.2
93.07033	46.3
95.04951	7.2
95.08601	100.0
96.08928	5.1
97.06525	6.5
97.10174	16.2
99.08104	9.3
105.07018	39.9
107.07843	4.2
107.08586	83.5
108.08959	4.6
109.06567	5.0
109.10146	94.4
110.10546	4.9
111.08069	6.4
111.11710	4.9
117.07021	4.8
119.08571	50.7
121.06511	4.9
121.10135	63.6
123.08093	5.5
123.11690	29.3
125.09624	8.9
127.11189	3.9
129.06972	3.1
131.08577	9.3
132.08974	2.8
133.10121	44.0
135.08026	6.1
135.11693	45.9
137.09621	3.9
137.13245	15.2
139.11182	4.9
143.08495	4.5
145.10150	20.4
147.11679	30.9
149.09596	3.6
149.13261	22.6
151.11159	4.3
153.12750	6.7
157.10135	6.9
159.11696	16.1
161.13240	31.3
163.11143	6.5
163.14832	30.9
165.09090	7.8
171.11729	8.2
173.13277	16.0
175.14877	21.8
177.16377	9.1
179.14293	13.4
181.15849	3.6
185.13272	5.5
187.14824	12.3
189.16287	22.9
191.14336	5.4
191.17909	27.2
192.18448	3.1
193.15862	6.9
199.14787	5.1
201.16315	14.0
203.14261	8.3
203.17961	24.4
205.15842	4.4
205.19472	4.5
207.17496	8.9
213.16336	5.4
215.17973	7.4
217.15967	3.8
217.19453	15.2
219.17383	7.1
221.19043	5.0
227.17984	4.8
233.19014	3.9
235.20651	5.4
247.93515	3.2
285.20673	7.1
319.22894	3.7
407.32977	5.7
425.33640	9.9
425.37869	14.4
433.10577	3.4
443.24506	5.5
443.34952	40.2
444.35312	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17219	1.6
53.03930	4.6
55.01864	2.1
55.05251	2.2
55.05508	26.9
57.07067	9.5
59.04998	1.9
65.03918	2.2
67.05150	3.4
67.05498	38.1
68.05832	1.9
69.03419	5.1
69.07066	70.4
69.25396	7.5
69.25823	5.0
71.04978	6.6
71.08601	2.5
77.60345	1.5
78.03304	1.5
78.79769	1.6
79.05484	19.2
81.07054	69.7
82.07368	3.4
83.04973	2.2
83.08622	21.2
85.06535	27.7
85.10179	4.2
87.04467	2.2
91.05479	17.3
93.07037	44.6
93.07596	3.3
95.04964	5.9
95.08600	100.0
96.08964	2.1
97.06532	10.1
97.10169	11.4
98.22547	3.2
99.04422	1.6
99.08092	7.1
105.07025	36.2
107.08585	61.0
108.08891	2.7
109.06508	7.1
109.10155	60.7
110.10470	2.0
111.08092	14.0
111.11713	4.7
113.09620	4.5
117.07019	4.0
119.08582	40.2
120.08948	2.4
121.06432	2.1
121.10138	47.8
122.10471	3.8
123.08044	4.7
123.11692	27.3
125.09633	5.3
125.95055	1.7
127.11189	1.7
129.07013	2.0
131.08580	12.6
133.10127	29.0
134.10455	2.2
135.08047	3.4
135.11684	28.3
137.09610	9.1
137.13286	11.0
139.11168	20.7
142.07770	1.6
143.08528	4.6
145.10126	23.6
146.10468	2.2
147.08113	1.8
147.11681	20.8
149.09612	3.7
149.13248	17.9
150.13554	1.8
151.11182	6.5
153.12685	2.8
157.10104	7.4
158.10887	2.6
159.11685	22.6
161.09628	2.0
161.12070	2.1
161.13261	23.4
163.11183	4.9
163.14807	14.0
165.09134	2.6
165.12737	7.1
167.10709	1.9
171.11684	5.8
173.13249	17.4
175.14798	21.8
177.12720	4.1
177.16396	6.7
179.14226	2.7
185.13220	5.5
187.14798	18.3
189.16412	12.1
191.14314	2.0
191.17946	5.3
193.15802	3.9
195.13820	1.9
199.14813	6.7
201.16371	9.4
203.14317	6.2
203.17923	5.5
204.87665	1.6
205.15865	3.9
207.17555	2.7
211.14789	1.7
213.16364	7.1
214.16815	2.3
215.17912	3.8
217.19464	5.0
219.17325	1.7
227.17944	5.1
229.19484	5.0
231.17421	1.9
231.21111	2.6
234.73383	1.9
235.20355	2.4
237.18436	1.7
241.19482	2.0
243.21146	3.0
255.21027	2.5
269.22662	2.9
275.07632	1.7
283.24213	3.5
285.25632	2.0
287.23602	2.3
301.25137	3.5
315.26990	1.6
317.28339	2.8
342.43604	1.7
369.31744	2.5
383.14792	3.7
389.53156	1.6
397.30902	2.3
407.32874	2.3
425.33563	20.5
426.34183	2.1
443.33884	24.5
443.39056	16.6
444.21994	1.7
444.34998	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98219	3.2
53.03947	3.8
55.05516	31.8
57.07065	14.3
67.05510	40.7
69.03447	4.3
69.07068	74.8
69.71186	5.6
69.71580	12.8
70.07397	5.7
71.04990	7.9
71.08613	6.6
79.05492	29.4
81.07053	92.8
81.07500	7.3
82.07375	4.4
83.08614	33.2
85.06536	23.2
87.04461	10.3
91.05463	21.1
93.07037	49.6
95.08606	100.0
96.08963	5.9
97.06497	9.0
97.10168	13.8
99.08096	12.7
105.07034	36.2
107.08589	60.9
108.08952	4.4
109.06554	5.8
109.10151	70.9
111.08044	7.4
111.11745	4.2
113.09631	7.3
119.08596	39.5
120.08901	4.1
121.10136	47.5
122.10500	6.2
123.08111	6.6
123.11703	30.4
125.09606	9.2
127.11178	6.9
129.09116	6.4
131.08575	12.5
133.10097	34.3
134.10425	5.7
135.11674	35.8
137.09586	4.5
137.13263	16.1
139.11171	14.7
143.08598	8.0
145.10155	19.7
147.11678	25.4
149.09608	4.0
149.13289	22.5
151.14784	6.2
155.22820	3.5
157.10168	5.5
159.11690	16.5
161.09560	4.7
161.13246	18.1
163.11205	4.5
163.14793	11.7
165.09114	5.5
165.12773	8.5
171.11694	6.9
173.13301	9.6
175.14824	15.0
177.12782	5.6
177.16386	5.3
183.11632	3.9
185.13284	5.1
187.14810	8.2
189.11301	4.3
189.16344	11.5
191.17941	10.5
193.15894	5.3
201.16342	7.2
203.18021	5.1
205.15712	4.0
207.17554	4.2
213.16412	7.0
217.19562	4.2
315.25491	6.7
383.14597	6.2
425.38120	9.9
443.30673	4.5
443.33844	5.3
443.38675	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	444.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31089	0.3
51.66361	0.3
53.03941	1.3
54.67786	0.3
55.01856	0.5
55.05510	4.1
56.05039	1.2
57.03432	1.0
67.04228	0.4
67.05508	0.7
68.05036	0.6
69.03427	2.6
70.06589	6.3
71.04994	2.0
71.17686	0.7
74.06073	0.5
79.05479	0.4
80.05016	2.8
81.03426	1.8
81.07043	0.6
82.06577	7.7
83.04984	1.1
83.07353	1.2
84.08140	11.5
85.02899	4.0
85.06526	0.8
85.94563	0.4
86.09713	0.4
91.05839	0.5
95.04969	1.2
97.02885	2.6
99.04446	1.0
100.00286	0.4
100.07612	100.0
101.02349	0.4
101.07929	1.3
105.07030	0.5
109.02874	1.8
109.06534	0.6
109.10166	0.4
110.06039	9.6
111.04455	0.4
116.07091	0.5
119.08564	0.4
121.02904	0.4
126.05463	0.6
127.03871	2.1
128.07072	25.7
130.08578	0.6
137.02322	0.8
144.06558	10.8
145.04977	0.5
146.08125	2.5
154.97899	0.3
167.05603	0.6
167.06982	0.6
188.09276	0.5
192.09505	0.3
207.02831	0.4
207.06566	0.8
209.00935	0.4
218.95879	0.3
220.04427	0.4
225.03979	0.9
235.06049	2.7
244.11858	1.7
254.10194	3.3
272.11255	10.3
273.11722	0.5
283.15460	0.9
290.12384	3.7
291.05112	0.6
323.07782	0.4
359.02731	0.6
410.69797	0.3
426.13870	1.4
427.14471	0.5
444.14609	4.3
445.16003	1.3
445.20895	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12362	1.9
55.05506	3.1
56.05037	7.7
57.03443	3.4
57.07068	7.7
59.05013	2.1
61.02942	1.9
69.03423	5.2
70.06591	5.1
70.59108	4.3
71.04967	1.9
73.02926	2.7
73.04748	6.8
74.06079	100.0
81.03417	7.1
84.04524	3.6
85.02899	10.9
85.06540	3.3
86.06061	3.3
86.58844	2.0
91.05779	7.1
95.05024	2.1
97.02898	6.2
98.06055	7.0
99.04449	3.7
100.07638	5.8
101.06039	2.6
102.05542	10.0
104.70362	1.7
105.07000	2.2
109.02881	12.0
110.06065	2.6
112.07615	2.6
112.41470	1.8
115.03996	3.0
115.07599	3.7
116.07091	46.6
120.06576	18.2
127.03896	6.3
128.07108	2.2
129.05505	2.5
133.08604	4.8
139.03954	3.3
140.07188	2.5
144.06555	52.7
145.04959	3.7
147.09152	4.1
153.01894	3.2
162.07562	8.9
167.05615	3.6
172.49075	1.8
172.54939	1.8
225.04208	2.6
229.10640	2.7
231.25648	2.0
246.43213	2.0
247.11841	6.3
251.06982	2.7
270.09735	11.0
282.15329	4.1
288.10788	5.0
359.02774	5.3
377.05374	2.0
383.16895	16.5
444.19467	8.4
445.16580	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	444.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.0
55.01860	2.4
55.05518	2.0
56.05026	7.2
57.03439	3.2
57.07075	2.2
57.24598	1.8
59.04984	1.9
61.09185	2.5
62.49852	1.7
66.16584	1.6
66.92764	1.7
67.05521	2.1
69.03435	9.6
69.39157	6.2
69.39565	6.7
70.06602	6.0
71.04977	3.4
73.04784	3.7
74.06084	100.0
81.03428	7.0
81.07069	2.4
82.06598	4.9
83.04980	2.8
84.04517	3.9
84.08152	6.8
85.02902	13.1
86.06067	2.2
91.05814	3.5
94.49794	1.9
95.04942	2.3
97.02901	11.0
98.06055	6.8
98.23244	3.9
99.04462	2.8
100.07623	49.0
102.05547	11.5
109.02872	6.4
110.06062	4.6
116.07106	40.6
120.05277	2.3
120.06590	31.0
121.06507	4.2
121.63595	2.0
127.03896	9.3
128.07085	11.0
137.09613	2.3
144.06573	49.6
145.04950	3.3
147.04283	1.8
153.01868	2.8
153.05437	2.1
162.07655	22.3
164.07103	2.4
167.05602	2.2
167.07024	2.4
204.08635	2.9
207.06471	3.0
210.07689	2.8
222.83154	2.3
225.04034	4.6
235.06090	7.1
236.25464	2.0
246.09769	4.1
247.09673	2.5
254.10303	2.7
264.10767	2.5
264.16678	3.7
270.09753	4.8
272.11383	3.7
282.17764	3.7
288.10825	6.4
291.05017	2.5
301.03589	2.8
306.11874	10.2
323.07419	2.6
346.03616	2.6
346.58826	2.3
359.03137	4.2
377.05023	2.8
444.15204	2.7
445.16333	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	444.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64801	1.5
53.03937	3.6
55.01868	2.7
55.05503	5.8
56.05030	10.8
57.03435	4.2
57.07071	2.9
61.02932	2.1
67.05501	2.1
69.03436	10.0
70.06576	7.4
71.04987	3.9
71.30899	2.9
71.31236	1.7
72.08147	2.1
73.02899	1.9
73.04737	3.0
74.06079	100.0
78.39668	1.4
79.05489	1.7
80.67517	1.3
80.76723	1.5
81.03429	7.8
81.29434	1.5
82.06577	6.8
83.04980	3.2
84.04497	4.7
84.08153	9.0
85.02905	20.2
86.03256	1.8
86.06059	3.2
86.09688	1.7
91.05782	5.7
93.07014	1.7
95.04973	2.5
97.02890	7.6
98.06044	7.9
98.52013	1.7
99.04504	2.2
100.07613	65.3
102.05541	11.7
103.05451	2.0
105.07029	1.9
106.07435	1.5
106.25789	1.6
109.02909	8.7
110.06039	5.2
111.04437	2.3
116.07080	42.0
119.08580	1.7
120.06580	33.2
121.02908	3.2
121.06473	3.9
124.51123	1.5
127.03893	8.4
128.07086	17.7
137.09639	3.8
138.09906	1.7
144.06551	58.6
145.04948	3.4
146.08099	2.1
147.04340	1.7
153.01822	5.1
154.02206	2.8
162.07626	22.9
164.07085	2.9
204.08730	2.3
207.06590	4.2
210.07597	3.5
217.05049	2.7
225.04091	7.3
233.00311	1.7
235.05992	12.2
246.09731	4.4
246.15627	2.5
246.79993	1.4
247.09663	2.4
247.11913	1.9
254.10269	2.4
261.03992	2.3
263.05554	1.8
263.16400	1.6
264.16776	3.8
270.09848	6.1
272.11368	5.6
281.17471	2.5
282.17798	3.5
283.15189	1.8
288.10703	8.1
290.12274	3.5
291.04895	3.9
301.03384	3.8
303.95917	1.8
306.11908	6.1
323.07538	2.7
345.02472	2.5
346.03485	1.6
359.03110	2.4
377.04861	5.2
444.14349	1.9
445.15878	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	444.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.6
55.01873	1.8
55.05516	4.6
57.03435	21.8
57.07076	11.8
59.05004	100.0
61.02942	2.3
69.03434	54.2
69.19791	13.1
71.05006	2.7
73.02917	13.3
73.04745	1.7
79.05522	2.4
81.03423	6.2
85.02904	50.5
86.09696	1.9
87.04469	30.3
90.73615	1.6
93.07081	2.4
97.02893	53.2
97.10157	1.6
99.04483	3.1
107.04985	1.4
109.02853	8.8
111.04437	1.8
115.03933	56.6
115.11212	36.3
116.04307	2.0
121.06509	2.1
121.10130	1.6
123.04433	4.2
124.04763	1.6
127.03921	33.8
133.04973	50.7
133.10167	1.5
133.12242	48.9
134.12570	1.6
139.03914	4.1
145.04953	16.0
147.04382	1.9
151.03934	1.9
153.01822	4.7
162.05392	3.3
163.06020	2.7
167.05727	1.4
199.06052	4.0
217.07083	2.2
223.05896	1.9
241.07040	3.1
259.08157	3.2
271.08347	2.3
277.09351	2.3
283.08566	1.8
289.68381	1.5
295.10251	2.9
297.37988	1.5
359.03049	2.9
445.20084	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	444.332
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38084	0.3
55.01847	0.7
55.05253	0.3
55.05505	3.9
55.98162	0.3
57.03178	0.3
57.03436	6.6
57.07058	0.7
58.06597	30.7
59.05002	0.4
59.07381	11.0
60.08163	9.2
66.11071	0.3
67.05206	0.3
67.05502	4.4
69.03388	0.4
69.07062	4.6
69.54926	1.8
71.04985	0.5
71.08605	0.4
73.02890	0.9
75.04473	3.6
78.99079	0.3
79.05487	2.3
81.07052	3.9
83.04942	0.6
83.08617	3.5
84.08123	0.4
85.02898	2.6
85.06512	0.6
87.04464	5.0
90.13716	0.3
91.04980	0.3
91.05476	1.3
93.05528	0.4
93.07050	2.7
94.07384	0.4
94.89905	0.3
95.04937	0.4
95.08600	4.3
96.08971	0.4
97.06504	0.7
97.10166	0.9
99.08086	0.6
99.32736	0.3
101.05993	0.5
103.03950	0.7
105.05482	0.9
105.06997	1.1
107.08594	2.5
109.10166	1.7
110.10461	0.4
113.05975	0.6
119.06979	0.3
119.08585	1.7
120.08880	0.4
121.10134	2.9
122.10470	0.4
123.08025	0.5
123.11694	0.6
124.02500	0.3
125.09583	0.5
127.07540	0.4
127.62168	0.3
128.80782	0.4
131.07053	2.0
131.08530	0.6
133.10133	1.1
135.11728	1.6
139.11136	0.5
144.09048	0.5
144.10184	8.0
145.10165	0.7
147.11685	0.5
147.51224	0.3
149.09677	0.4
149.13246	0.8
157.10147	0.4
159.06435	0.3
159.11703	0.6
161.13255	0.6
162.11247	4.7
163.11200	0.5
163.14809	0.4
171.11681	0.5
172.09810	0.3
173.13255	0.4
175.14803	0.4
189.16368	0.4
200.12839	0.7
201.16371	0.4
218.13934	0.8
236.14914	100.0
237.15221	4.3
255.97343	0.4
279.23209	0.7
280.23499	1.0
317.99335	0.3
359.02802	0.4
426.32095	25.3
427.32831	2.0
444.33154	56.4
445.33667	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	444.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.3
55.05512	15.3
56.05846	0.7
57.03428	0.8
57.07074	6.3
58.06589	2.4
67.05161	1.2
67.05502	20.4
69.07066	20.9
71.04997	1.2
71.08624	2.8
79.05490	8.7
81.07052	24.8
83.04954	1.9
83.08619	15.5
85.06535	1.8
85.10176	1.2
86.53756	0.8
91.05466	8.2
93.07037	11.2
94.07362	1.1
95.04980	2.0
95.08602	31.4
96.08954	1.2
96.32776	0.8
97.06522	3.1
97.10172	10.9
98.22530	1.7
99.08051	1.0
102.05534	9.8
104.07101	100.0
105.06995	9.1
107.08588	10.6
109.06496	1.1
109.10165	11.0
111.08096	1.7
111.11689	3.6
113.09614	1.1
115.07536	0.8
117.07017	2.5
119.08571	9.0
120.08900	1.1
121.06523	1.6
121.10138	9.7
123.08053	3.1
123.11721	4.9
125.13257	1.0
127.11185	1.4
129.07036	1.5
131.08553	4.1
133.10136	8.1
134.10381	1.0
135.11694	5.1
137.09593	5.0
137.13261	1.7
139.07521	1.2
139.11113	1.9
143.08543	1.8
145.10133	4.0
147.11696	5.6
149.09621	3.0
149.13255	2.7
151.11188	1.9
151.14920	0.8
155.08572	0.9
157.10069	1.5
157.12251	1.1
159.10306	1.1
159.11636	1.9
161.09636	1.0
161.13231	4.4
163.14871	1.4
165.12733	1.0
173.13310	0.8
175.14830	1.9
177.16353	1.2
183.11925	0.8
185.13174	1.0
187.14835	1.1
189.16418	1.2
191.17947	1.4
193.12192	1.8
193.15950	2.1
195.17340	1.2
199.14778	1.0
201.16304	1.1
203.17940	1.9
204.14536	0.8
205.08638	1.8
205.15880	1.8
207.13823	1.1
209.08023	1.8
219.17389	1.0
221.18843	0.9
223.09665	2.1
235.13284	3.1
237.14680	0.9
237.18556	1.0
251.19991	1.0
259.24292	4.2
267.54010	0.8
277.25177	4.4
287.23688	1.7
305.24722	5.5
323.25681	3.2
341.26807	6.2
348.28894	1.0
353.24747	0.9
371.25806	1.3
375.18066	2.3
380.31570	11.8
389.26910	1.6
408.30859	5.9
426.31940	14.0
427.32108	1.6
444.32455	2.5
444.36081	1.5
445.16736	1.7
445.23087	1.3
445.29443	6.3
445.36554	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	444.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.8
55.05265	1.5
55.05513	19.5
56.05036	34.9
56.80088	0.9
57.03431	1.6
57.07078	16.7
60.04531	7.6
61.23976	0.9
67.05502	6.8
69.07069	35.1
71.04993	2.1
71.08642	9.6
71.31387	1.5
73.06554	1.8
74.06081	45.1
79.05508	7.4
81.07056	12.2
82.07391	1.1
83.04956	2.0
83.08620	23.3
84.04500	2.3
84.57977	0.9
85.06538	1.3
85.10184	4.9
88.07659	1.4
91.05476	3.5
92.05804	1.3
93.07047	14.1
93.12627	1.1
94.07371	3.2
95.08604	11.4
96.08963	1.1
97.06527	2.9
97.09605	1.4
97.10173	19.1
102.05552	12.1
105.07032	3.8
107.08595	11.4
108.08942	2.6
109.06520	1.2
109.10174	5.5
110.10502	1.1
111.08057	1.4
111.11710	8.3
116.07096	62.9
117.07018	1.0
119.08582	4.7
119.58018	1.1
121.06540	1.6
121.10164	7.0
122.10480	1.8
123.08044	2.2
123.11724	2.4
125.09671	1.3
125.13274	2.4
131.08554	2.4
133.10109	4.0
134.08128	100.0
135.08096	2.0
135.11696	10.8
136.12022	4.0
137.09621	2.1
137.13205	1.4
139.07512	2.1
139.11102	2.1
145.10114	3.0
147.11702	2.0
149.09631	1.7
149.13234	2.7
152.41600	1.1
159.11687	1.0
160.06024	1.6
161.13199	1.1
163.07591	2.1
163.14813	1.3
165.09090	1.2
166.09416	1.2
167.17784	1.0
169.10263	0.9
173.13252	2.0
177.09122	1.5
181.08371	1.1
189.16479	1.3
191.06943	2.8
191.14362	1.5
195.21237	1.2
207.06487	10.5
208.06894	8.7
209.08069	4.6
218.12564	2.1
219.10115	1.2
235.13295	2.6
236.13565	1.2
237.14886	3.1
238.15128	2.7
270.20630	1.2
271.13293	1.6
275.27307	2.4
277.14331	3.2
278.14667	4.7
289.14352	4.2
290.14667	4.7
293.28366	4.7
307.16071	1.0
330.14096	2.0
339.08932	1.1
366.33710	1.3
375.64044	1.1
408.34506	2.5
426.30969	1.5
426.35703	12.3
427.35983	1.5
444.24207	8.4
444.34952	2.3
445.22104	3.7
445.36807	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	445.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85743	7.6
55.05224	8.7
65.24194	8.5
68.19789	6.8
69.24593	67.6
73.04740	16.8
81.49751	7.3
91.05779	26.2
93.07005	7.3
95.08599	9.0
98.23351	17.1
105.07044	12.7
107.08659	8.0
121.10141	9.7
123.08139	8.8
137.05943	14.6
140.03848	8.8
161.06064	9.7
175.03761	10.4
192.04002	9.2
234.08659	11.9
235.09532	8.1
317.65741	9.6
359.02701	14.9
413.14160	27.2
445.16275	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.168
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93438	0.6
56.96560	0.9
69.03418	0.7
69.29884	2.3
69.30299	2.3
73.04748	9.8
89.84280	0.6
91.05791	20.2
98.23297	1.1
98.97586	1.1
103.10336	0.7
110.97563	1.1
116.98627	0.9
128.98589	1.1
134.99649	0.6
139.03911	1.8
143.03250	1.0
149.04553	1.4
152.84593	0.6
153.01826	1.3
161.05957	0.6
161.12177	0.6
161.53030	0.6
167.05536	8.1
185.04172	1.5
197.24835	0.6
203.05238	13.5
205.04651	0.6
221.11440	5.1
223.06425	0.6
225.04306	3.4
237.02789	1.3
253.67883	0.6
263.54514	0.7
265.10428	1.2
283.11618	1.9
286.03491	0.7
298.03510	0.7
300.54633	0.7
313.06201	0.8
342.99734	2.3
359.02771	12.3
360.02884	1.1
371.13065	1.3
383.16721	64.9
384.16965	4.2
403.09335	0.7
427.15308	2.8
429.08823	1.0
445.16803	100.0
446.17120	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	445.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96525	1.1
65.60200	0.5
69.53618	0.8
69.54008	2.6
73.04756	3.9
78.35286	0.5
85.86037	0.5
90.13833	0.4
91.05792	6.1
98.97510	1.6
103.10891	0.5
110.97501	1.5
116.98557	0.7
128.98550	1.2
139.03839	0.9
143.03087	2.0
149.04494	0.8
153.01630	0.7
167.05525	3.9
185.04158	1.7
185.37975	0.5
203.03481	0.8
203.05252	13.7
219.01776	0.9
221.11464	6.4
225.04248	1.6
227.02245	0.8
229.00206	0.5
229.03763	0.5
237.02699	2.0
259.04871	0.6
283.11508	2.6
295.04712	0.6
298.03677	0.5
313.05667	0.7
342.99677	0.8
355.06424	0.5
359.02792	5.5
360.02792	1.1
371.13013	1.0
383.16730	68.8
384.16992	4.2
403.09140	1.0
427.15695	2.4
430.63040	0.5
445.16806	100.0
446.17142	7.6
454.66306	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81953	0.5
70.22868	2.0
83.41105	0.6
83.96731	0.6
95.75322	0.6
117.03117	0.5
189.05255	2.1
196.17685	0.7
211.35820	0.5
219.06274	4.3
233.07872	1.6
234.08615	30.2
235.09343	4.4
239.32893	0.6
247.09184	0.7
414.16440	0.8
415.17157	1.7
445.18332	100.0
446.18649	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	445.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
58.95987	0.6
70.58771	1.4
73.04744	2.8
79.05482	0.5
81.07071	0.8
81.40138	0.5
91.05820	4.2
95.08605	1.2
105.07033	1.2
107.08604	1.0
119.08563	1.3
119.47614	0.6
125.48679	0.5
133.10115	1.3
137.05930	0.8
145.10165	0.7
151.11243	0.6
162.58220	0.7
167.05582	2.0
171.87404	0.7
189.05219	15.0
203.06776	0.8
219.06268	6.2
225.04298	1.0
231.10039	0.9
233.07849	2.6
234.08615	51.5
235.09274	6.5
359.02975	3.2
378.39011	0.6
397.16138	0.7
415.17453	0.8
445.18307	100.0
446.18591	9.1
457.82831	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2064
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
57.46229	6.6
58.61718	5.4
65.03931	8.3
67.05518	7.3
69.03426	29.8
69.87258	30.9
70.95863	6.0
72.04517	7.1
72.08155	20.3
73.04757	54.6
79.05493	9.2
81.03413	9.5
83.71880	5.3
85.02908	35.9
86.09695	7.3
86.43217	5.8
91.05819	65.0
93.07031	7.6
95.04969	12.1
97.02900	13.5
98.22614	7.9
102.05543	7.4
105.07035	13.2
109.10230	6.6
111.04418	8.7
111.93045	5.8
114.09160	12.8
119.08595	19.5
121.02831	31.2
121.06492	10.6
123.04417	10.3
125.00049	6.0
127.03965	6.9
131.08646	7.8
132.10220	38.9
135.08069	11.6
139.03972	6.6
145.10187	10.2
147.09175	27.5
148.09573	8.9
151.07562	16.7
153.01849	28.2
157.79567	6.7
158.97444	14.1
159.07909	8.4
159.11702	13.6
161.09656	10.9
167.05579	35.5
167.07057	100.0
170.06332	10.1
175.07559	12.6
175.11316	7.0
203.10703	8.5
217.12216	9.0
224.98412	30.2
225.04218	12.5
234.99068	13.3
239.00032	9.1
240.00826	14.4
242.99542	19.2
243.14615	6.3
247.13394	30.5
251.00081	8.3
251.06963	11.3
264.12213	12.2
265.14633	59.0
268.00192	5.9
281.15051	7.5
283.02658	14.5
301.03647	37.4
343.04660	7.0
355.04813	12.7
359.02802	40.2
360.02890	7.8
383.16751	6.3
389.04233	6.6
406.56305	5.7
445.08154	37.2
445.14725	44.9
445.21652	68.1
446.08099	6.5
446.20871	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	445.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83228	2.5
61.01120	3.3
61.54650	2.3
69.03426	7.5
73.04753	45.2
78.85255	2.4
79.05492	3.2
81.07055	2.9
85.02911	9.1
86.03251	2.4
91.05800	100.0
95.04951	5.1
97.02860	4.2
105.07021	3.5
109.02901	3.0
111.04453	4.0
119.08587	6.5
121.02916	3.2
121.06490	3.3
123.04460	2.6
123.08006	3.3
127.03961	2.9
131.04997	3.0
131.08563	2.8
134.81136	2.4
135.08051	6.5
139.03902	17.1
140.04245	4.3
145.10092	3.4
147.08023	5.3
149.04521	7.5
151.03944	2.9
153.01768	2.7
157.10036	3.3
159.07985	3.1
159.11690	3.3
163.03949	4.2
163.76897	2.7
165.09042	3.1
167.05559	47.5
167.06863	5.4
172.08749	2.8
173.13284	2.7
175.07570	7.2
175.11177	3.2
187.11201	4.6
192.03745	2.5
203.10611	7.1
209.01154	2.7
217.12221	4.8
225.04247	19.3
227.02246	7.6
229.12190	4.1
233.09337	4.4
247.13264	9.7
248.13817	2.8
258.04752	3.6
265.14349	42.7
266.14734	2.7
275.05722	3.6
277.06226	3.8
324.98828	5.6
341.01669	4.0
342.99707	14.9
344.19131	2.7
359.02814	73.3
360.02805	10.4
383.12131	2.8
383.16635	14.0
407.82846	3.7
427.09177	5.4
429.08612	4.3
445.14883	37.9
446.14627	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	445.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33331	2.5
54.48931	1.8
55.01863	2.3
56.40173	2.2
59.35308	2.3
65.19238	2.3
68.99810	2.5
69.03430	5.6
70.66128	5.6
73.04749	40.3
75.02689	2.2
81.07053	2.7
85.02885	7.1
91.05800	100.0
93.07025	3.0
95.04931	4.0
95.08637	3.3
105.07040	4.0
105.81766	2.2
107.08553	2.6
109.06580	2.5
111.04432	3.9
113.06007	3.8
119.08588	6.6
119.42585	2.4
119.49860	2.0
121.02860	3.6
121.06450	2.6
122.02493	2.1
123.04382	2.8
123.08060	3.0
131.08557	5.7
135.08055	7.7
139.03899	17.1
140.04247	3.5
145.06551	3.4
145.10126	2.8
147.08051	2.9
149.04498	9.4
151.03923	4.8
158.07306	2.2
161.09549	2.5
163.03937	5.0
165.09088	3.4
167.03380	3.3
167.05551	42.8
173.13220	2.9
175.07558	7.1
187.11211	2.5
190.08626	2.2
193.08475	2.8
198.87161	2.2
225.04276	16.8
229.04964	2.3
233.09196	2.8
247.13190	11.2
265.14365	33.5
275.05304	2.5
277.05823	4.6
289.06781	4.5
303.83383	2.5
316.66577	2.4
324.98471	4.5
326.32260	2.5
342.99628	8.9
359.02798	57.3
360.02774	6.6
383.16797	9.5
384.17136	2.2
396.58179	2.2
427.09296	8.2
445.16925	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	445.2219
Annotation	6beta-Angeloyloxypyrrhopappolide
Peak:m/z	Relative Intensity
55.05498	4.5
57.03431	1.2
57.07061	2.5
65.03947	1.3
67.05509	6.4
69.03416	3.5
69.07082	5.1
71.04993	3.7
71.08646	1.3
79.05508	5.3
81.07050	8.2
83.01339	2.3
83.04974	4.3
83.08603	1.7
91.05469	2.5
93.07040	7.4
95.04985	1.9
95.08610	8.0
97.06525	12.3
97.10175	1.5
98.23341	2.9
105.06995	6.0
107.04958	1.8
107.08595	7.2
109.06508	2.2
109.10149	3.7
113.06057	1.3
117.07021	3.5
119.08612	5.8
121.05769	1.3
121.06482	7.6
121.10130	10.9
123.04432	1.6
123.08052	3.5
123.11708	1.9
131.08589	2.4
133.06577	1.4
133.10135	3.6
135.08049	5.4
135.11700	1.6
137.06006	1.2
137.09613	20.1
139.07481	1.5
139.11177	7.3
143.08501	1.1
145.06493	2.4
145.10127	2.0
147.08073	2.2
147.11655	1.4
149.05969	2.3
149.09637	4.9
149.13257	1.0
151.07556	1.8
151.11203	1.3
153.05446	2.2
153.08977	1.4
158.10889	1.5
161.06050	1.4
161.13254	1.3
163.07536	10.8
163.11305	1.1
165.09099	7.4
167.03413	3.0
167.10681	2.9
169.04979	2.2
171.11707	2.2
173.13301	1.8
174.10373	1.5
175.07523	1.7
176.24651	1.0
177.09135	2.4
177.12773	2.4
179.07063	3.1
179.10646	1.6
181.08607	2.7
183.06541	3.7
183.10182	2.6
187.11302	1.4
189.05437	1.6
189.09119	2.9
191.07031	22.8
191.10703	1.4
191.14319	2.8
191.17995	1.1
192.07632	1.7
193.08583	1.9
193.12196	2.1
197.08102	4.6
199.11198	2.3
205.12251	4.1
207.06578	4.6
207.10219	2.4
209.08087	39.5
209.15486	2.0
210.08389	1.6
213.12666	1.6
217.12259	5.4
220.14496	1.7
221.08243	1.7
221.15300	3.3
225.07605	2.5
226.10007	1.4
229.12215	1.2
233.11740	2.2
235.13327	16.9
237.14842	13.7
241.12109	2.3
245.11786	2.4
249.14928	1.4
251.12810	3.7
256.10858	2.2
259.13275	2.9
263.12823	3.5
269.11829	2.0
271.13382	2.8
273.11240	1.1
277.14389	4.0
289.14420	4.7
297.11063	5.9
301.18073	1.7
305.14099	1.9
315.12244	3.2
329.17505	3.8
331.19061	1.2
331.33392	1.2
347.18411	7.1
348.18719	1.5
357.16708	2.4
370.27887	1.0
373.16464	1.5
385.16476	4.7
387.17911	1.9
399.21509	2.3
417.22711	49.5
418.23123	4.6
427.21265	3.4
445.22198	100.0
446.22464	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	445.2222
Annotation	Ichangensin
Peak:m/z	Relative Intensity
55.05515	7.2
57.48581	1.5
59.04997	4.9
59.87047	1.5
67.05505	7.4
69.03425	5.8
69.62997	6.1
71.04987	4.5
73.06538	3.9
81.07053	4.3
83.01334	2.5
83.04979	3.1
91.05481	2.2
93.07016	4.1
95.08618	10.9
95.52008	1.6
97.06503	3.3
97.10173	2.4
98.23299	2.8
105.07053	4.0
107.08617	2.7
109.10157	2.8
113.09615	4.9
119.08580	4.0
121.06435	2.2
121.09283	1.5
121.10119	4.8
123.08031	2.1
131.08508	1.8
133.10132	2.7
137.09627	11.8
139.11145	2.4
145.10065	2.3
147.08052	2.0
149.09581	2.7
159.08072	2.2
161.09592	2.2
163.07460	2.0
165.09067	2.0
171.08054	1.7
173.09587	3.4
173.13271	1.9
175.07559	4.2
176.08337	3.6
177.09073	1.8
179.07047	1.9
183.06531	2.2
189.05583	1.8
189.09129	3.7
191.07008	8.3
192.07877	3.3
199.07510	1.6
199.11163	2.6
201.09065	2.3
203.07033	2.4
205.08632	2.1
207.06494	3.4
209.08124	3.4
211.11267	2.5
212.12074	1.5
213.09106	4.2
213.12669	1.9
215.10616	4.0
217.08641	4.4
217.12224	6.3
219.10165	2.1
225.12798	3.5
226.09927	2.3
227.10719	3.1
228.11446	6.2
229.08530	2.2
229.12148	10.1
230.09309	2.8
231.06537	2.7
231.10141	2.6
231.13794	2.5
233.07970	1.8
235.13234	7.4
237.11121	2.0
237.14790	3.2
241.08607	4.8
241.12276	3.5
242.09340	3.2
243.10089	5.4
243.13812	22.2
245.08055	5.8
245.11766	6.8
253.12265	2.9
255.10277	4.0
256.10965	20.1
257.11703	22.0
257.15375	5.2
258.12167	2.9
259.13321	5.0
263.12836	2.8
269.11691	6.9
270.12421	5.0
271.13293	100.0
272.13623	9.4
273.11151	5.4
275.12756	18.0
277.14316	4.6
281.11737	2.0
281.15079	1.7
284.10254	1.8
285.11569	3.3
285.14877	32.6
286.15131	1.9
287.12509	2.7
288.13480	3.8
289.14325	86.5
290.14627	4.3
291.12106	2.4
294.12442	2.6
297.11255	9.1
297.14142	1.7
299.16406	2.8
303.12332	4.0
303.15866	34.3
304.16104	1.7
305.13791	5.6
309.14810	3.7
311.16302	7.6
315.12225	3.7
315.15744	1.9
327.15912	23.0
328.16537	2.2
329.17395	12.6
331.11795	2.2
331.15335	3.4
337.14459	2.8
339.15814	3.2
347.18549	2.0
355.15341	21.3
356.15680	2.5
357.16873	7.2
367.15359	2.2
369.17081	3.3
371.14893	2.6
373.16492	16.9
374.16745	1.7
375.18076	3.8
385.16245	3.7
387.18015	63.3
388.18314	4.5
389.15970	5.0
399.21457	2.5
401.19531	24.6
417.22729	15.7
427.21329	12.0
428.21371	2.5
445.22156	62.8
446.22449	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	445.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37154	1.1
53.03946	2.2
55.01869	3.1
55.05511	9.5
57.07082	2.8
59.05000	1.2
67.05497	9.7
69.03421	4.9
69.07063	16.6
69.22261	8.6
69.22672	2.4
71.04980	3.5
71.77642	1.2
79.05476	9.4
81.07048	20.9
83.01347	6.6
83.04971	3.7
83.08619	5.9
85.06540	2.3
91.05454	14.2
91.05884	1.1
93.07042	20.2
95.04982	3.0
95.08602	21.9
97.06521	4.2
97.10165	5.6
103.05478	1.6
105.07021	17.5
107.08586	20.8
109.06496	3.7
109.10149	13.5
111.08093	2.3
113.80789	1.2
114.98650	1.1
115.05481	1.7
117.07005	4.5
119.08571	22.3
121.06486	7.3
121.10153	11.5
123.08076	3.7
123.11718	4.4
125.09644	12.7
128.06248	2.1
129.06999	2.0
131.08559	10.7
133.06551	1.9
133.10118	17.2
135.08058	11.0
135.11671	13.4
137.05946	1.5
137.09557	2.8
143.08531	3.8
145.06491	2.0
145.10100	6.6
147.11681	10.4
149.05974	3.1
149.09608	9.5
149.13281	3.5
153.04379	1.2
153.05435	6.4
157.10094	4.6
159.08070	7.3
159.11717	3.3
161.06030	2.0
161.09641	2.0
161.13264	4.6
162.06796	9.5
163.07523	12.5
163.11183	1.5
163.14859	2.6
165.09105	1.9
171.11722	1.4
173.13240	2.9
175.14799	18.9
176.15126	1.2
177.05531	2.5
177.09109	20.6
177.16359	2.2
179.14368	2.6
181.08601	1.4
187.07483	6.1
187.14862	5.4
189.09132	3.8
189.12787	1.5
189.16359	2.3
191.07021	4.3
192.07899	1.4
193.15894	7.1
199.11182	1.2
199.14789	6.4
201.09010	1.3
201.16356	3.6
203.17967	2.0
205.08594	88.3
205.15891	9.5
206.08974	4.5
207.10138	2.1
209.07996	2.9
217.08548	2.1
217.15919	2.7
223.09628	100.0
224.09935	5.9
226.09973	2.5
227.10655	2.1
229.08601	5.1
235.09700	4.0
235.13332	1.4
237.18546	1.4
241.12186	5.7
243.10304	1.5
245.11702	1.3
247.09679	4.7
251.09102	2.1
254.09467	1.9
257.11743	1.8
261.11060	1.9
269.11777	9.0
271.13333	1.9
273.11285	1.8
275.12805	3.2
287.12775	1.9
291.12173	2.0
297.11227	33.5
298.11685	1.8
315.12149	13.3
316.12595	1.7
329.17413	1.5
339.19464	1.5
359.03021	1.3
367.15329	14.7
367.19104	1.7
385.16418	61.3
386.16702	5.4
409.23660	14.5
409.34760	5.8
427.24957	13.8
427.30365	2.2
428.25702	1.6
445.21420	2.0
445.36710	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	445.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	14.8
57.07068	7.6
67.05503	28.9
69.03426	24.1
69.07059	19.8
69.14718	23.3
71.05002	13.4
74.05527	2.8
79.05492	19.4
81.07053	36.5
83.01337	3.0
83.04977	6.7
83.08603	7.1
85.06539	3.3
91.05459	26.9
93.07048	32.5
95.04993	13.3
95.08606	41.7
97.06528	6.7
97.10175	4.4
99.04423	3.7
105.07031	36.0
106.46590	3.1
107.04932	3.4
107.08585	31.3
109.02901	6.5
109.06512	20.3
109.10141	14.8
111.08103	6.2
111.11757	4.3
113.06008	12.8
117.07005	8.6
119.08566	27.5
121.06525	15.7
121.10124	19.9
122.10424	3.8
123.04417	6.7
123.08081	8.1
123.11713	10.9
128.06229	3.7
129.06993	6.6
131.08568	34.0
133.06494	8.1
133.10124	23.1
135.08046	7.9
135.11681	10.0
137.05966	5.4
137.09595	22.6
137.13284	4.2
139.07547	7.5
139.11223	2.7
142.07759	3.8
143.08571	8.4
145.06499	4.2
145.10110	47.0
146.10442	2.9
147.08046	6.2
147.11702	15.0
149.05975	27.0
149.09518	6.8
149.13243	7.4
151.03911	6.8
151.07521	17.4
153.05435	9.0
157.10130	12.2
159.08035	4.4
159.11685	20.8
161.05977	11.1
161.09636	6.0
161.13266	6.1
163.07489	10.0
165.05489	4.3
165.09109	11.6
169.04939	7.9
171.11710	4.6
173.06030	2.9
173.09543	4.4
173.13240	9.0
175.07542	15.5
175.11220	3.1
175.14795	5.7
177.05397	2.9
177.09105	9.0
177.16321	5.2
179.07045	27.3
181.08580	4.2
185.13112	2.9
187.14810	53.8
188.15497	3.5
189.08986	3.4
189.16362	38.7
190.16792	3.2
191.07037	15.6
191.17909	6.4
193.08591	7.9
193.15860	2.8
195.11703	3.3
197.08049	7.0
199.11261	5.7
199.14803	14.9
201.12683	5.1
201.16365	31.6
203.06989	22.4
205.08603	17.8
205.15889	11.1
207.08273	3.0
207.10295	2.7
207.17558	3.5
209.08080	30.2
209.18956	6.6
217.08589	5.4
217.15836	7.1
219.10155	3.9
219.17445	6.2
221.08075	81.3
223.09610	24.4
229.08528	4.1
231.10173	3.5
235.11285	3.1
235.13290	12.0
237.11154	4.0
237.14842	4.4
239.09125	100.0
240.09474	3.6
241.15860	6.5
257.11710	3.3
277.10699	3.3
287.12793	3.6
296.35040	2.7
297.18451	2.9
311.16541	3.2
317.20764	9.3
321.18491	4.7
339.19519	9.0
340.76529	3.0
357.20462	4.5
359.02679	4.7
367.22733	4.1
375.21713	4.1
381.24234	4.7
391.22641	9.5
409.23761	33.2
410.23953	3.5
427.24875	47.1
427.34894	5.1
428.25250	5.6
445.21274	4.3
445.26236	5.1
445.30051	5.3
445.36554	10.8
465.32245	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	445.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23370	11.1
55.05505	38.0
57.07075	27.8
61.75980	10.3
62.27524	10.2
67.05505	55.5
69.03413	19.5
69.07066	53.3
71.05004	20.8
71.96824	12.0
77.44711	10.5
79.05490	36.7
81.07067	76.6
83.05000	29.1
83.08598	17.6
84.25189	13.1
85.06527	13.3
91.05493	47.7
93.07040	51.8
95.08617	91.0
97.06492	13.7
97.10179	13.5
105.07019	77.6
107.08611	62.6
109.06503	20.8
109.10168	47.1
110.88573	10.5
113.06001	14.1
117.07024	24.7
119.08595	37.7
121.06516	39.8
121.10151	56.1
123.08114	13.6
123.11727	26.1
131.08566	44.0
133.10141	41.0
135.08075	22.7
135.11714	31.0
137.09618	32.3
137.13277	13.0
143.08586	16.0
145.10139	66.1
147.11671	25.7
149.06018	28.3
149.09697	21.3
149.13260	26.9
151.07574	12.1
151.11195	15.9
157.10101	13.8
159.11674	45.1
161.13301	29.9
163.07524	34.2
163.14894	17.9
165.09140	24.4
171.11665	14.7
173.13263	22.1
175.07454	16.5
177.16339	22.2
187.14780	64.1
189.16360	28.6
191.06973	35.2
199.14809	14.7
201.16397	42.6
203.06966	15.2
203.10667	15.4
205.08652	25.6
205.12236	13.4
209.08055	100.0
221.08095	54.8
221.87511	13.3
223.09653	25.7
235.13235	21.2
239.09134	72.6
271.13425	14.8
399.32135	24.6
409.23611	27.9
411.32562	22.1
427.24670	45.7
427.35767	18.1
445.21912	47.1
445.36514	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.5
55.01856	4.8
55.05510	21.6
57.03436	3.7
57.07068	2.5
59.05005	2.3
62.87871	0.9
65.03941	3.7
67.05504	53.3
68.05843	1.7
68.99794	1.9
69.03422	7.4
69.07066	19.1
69.24545	7.5
69.25729	0.9
71.04988	7.3
77.03916	1.1
79.05489	43.7
81.03411	1.8
81.07053	54.1
83.04980	5.8
83.08624	8.0
84.97418	0.8
85.06538	2.6
87.18777	0.9
91.05473	61.2
92.05826	2.1
93.07040	49.0
94.07383	1.8
95.04977	10.1
95.08603	36.8
96.08955	2.2
97.06525	12.8
97.10150	4.9
98.23423	1.7
99.04426	1.7
99.08094	3.1
103.05472	2.9
104.88921	1.0
105.04546	1.5
105.07026	61.8
106.07320	1.4
107.04983	5.8
107.08592	27.2
108.08918	1.3
109.06521	8.5
109.10159	15.3
111.04453	2.8
111.08096	5.1
113.06026	1.1
115.05459	2.9
116.06237	1.9
117.07014	27.5
117.07815	1.9
119.08575	44.3
120.08945	1.3
121.06505	9.5
121.10136	20.8
123.04441	2.2
123.08068	10.4
123.11700	4.6
125.05981	5.2
125.09681	1.6
127.07526	1.5
128.06233	4.1
129.07002	20.6
129.09160	1.1
130.07802	2.1
131.08559	45.9
132.00060	0.9
132.08925	1.5
133.06505	5.7
133.10118	22.5
134.10518	1.2
135.04439	1.7
135.08052	6.9
135.11700	8.9
137.05952	1.5
137.09610	19.0
138.09944	1.2
139.03952	1.1
139.07556	5.7
139.11169	4.6
141.06984	7.2
142.07779	2.9
143.08553	20.3
144.09253	1.5
145.06471	5.5
145.10120	26.0
147.08076	6.5
147.11690	10.8
149.05952	8.3
149.09630	6.4
149.13205	4.5
150.47565	0.9
151.07576	3.2
151.11208	3.3
153.05482	7.3
153.06755	1.3
153.09122	1.4
154.07793	1.0
155.08533	11.2
157.10124	13.1
158.10684	1.0
159.08064	3.6
159.11685	13.0
161.09566	5.5
161.13274	4.1
163.07553	2.8
163.11215	2.7
163.14842	2.2
165.09137	3.4
167.03362	1.5
167.07054	3.9
167.08537	3.5
167.10703	3.2
169.10081	8.3
171.08102	1.5
171.11688	10.3
171.90645	1.0
173.09628	3.8
173.13264	8.5
175.11192	4.2
175.14835	2.7
177.05522	1.4
177.09131	2.3
177.12770	3.1
177.16345	1.7
181.08600	11.5
181.10176	5.3
183.11720	6.5
185.09648	1.1
185.13252	6.1
187.11130	3.0
187.14809	6.4
189.12758	2.3
189.16431	2.2
191.06978	6.0
191.10732	1.0
191.14345	2.9
191.17960	1.0
193.12300	3.2
195.11710	5.1
197.13246	6.4
199.11145	2.0
199.14861	4.4
201.12756	1.7
201.16386	2.1
203.06993	1.0
203.10721	1.4
203.14366	1.9
205.15903	1.4
207.13814	2.1
209.08076	100.0
209.13417	4.6
209.15254	1.7
210.08449	4.7
211.14885	5.8
213.12801	1.7
213.16289	1.8
215.10760	1.0
215.14299	2.1
217.12241	2.5
217.16040	2.3
219.13844	4.2
221.13446	1.1
221.15344	2.1
223.14822	2.4
225.16415	2.8
227.14320	2.4
229.15854	2.4
231.13725	1.0
231.17365	1.1
233.15405	3.2
235.13231	16.7
235.16953	1.3
237.14661	8.0
241.15845	3.5
243.17453	2.2
245.11729	1.6
245.15450	1.4
247.17003	3.6
251.12830	1.1
251.18031	1.2
255.17522	2.1
259.16928	2.3
261.18515	2.0
263.12781	18.9
269.18994	1.8
273.18503	2.9
275.20111	1.1
277.14566	1.1
285.18655	1.2
287.19934	1.4
289.14301	1.9
296.10007	1.1
297.11331	2.3
317.21957	1.2
325.25284	5.1
329.24442	1.0
335.23666	7.2
343.26309	6.7
347.18539	1.7
353.24707	19.7
353.28522	0.9
354.25192	2.4
359.02838	1.6
371.25797	21.0
371.30124	1.9
375.18033	6.8
385.16504	3.8
387.18063	2.3
389.26840	17.5
390.26953	1.2
399.28757	1.2
411.28754	1.3
417.22656	8.2
427.21158	3.6
427.28375	4.0
445.22202	63.0
445.29449	91.3
446.22583	6.9
446.29810	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	445.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.7
53.03937	3.0
53.55645	0.8
55.01873	4.1
55.05263	1.0
55.05513	16.7
57.03424	2.9
57.07072	1.9
59.04995	2.0
63.72798	0.6
65.03934	3.4
65.73784	0.8
67.05504	47.6
68.05834	1.0
68.99785	3.0
69.03429	9.5
69.06717	1.1
69.07067	16.5
69.18246	4.0
69.18671	2.2
71.04990	6.7
79.05495	38.6
80.05800	0.8
81.03416	2.1
81.07056	45.2
82.07394	0.9
83.01366	0.9
83.04973	5.8
83.08622	8.1
85.02883	0.9
85.06528	2.6
87.04448	1.3
91.05473	56.3
92.05813	1.3
93.07043	40.1
94.07384	1.6
95.04970	8.6
95.08604	32.4
96.08951	1.4
97.02903	1.0
97.06538	10.7
97.10187	4.6
99.04458	1.2
99.08079	1.7
103.05461	3.3
105.04497	1.8
105.07030	50.0
106.07339	1.8
107.04945	5.8
107.08593	22.3
108.08898	1.1
109.06531	7.5
109.10152	13.0
110.10466	0.8
111.04430	3.3
111.08092	5.2
113.05992	1.8
113.09695	1.4
115.05473	4.2
116.06283	1.0
117.07020	25.7
119.04919	0.9
119.08582	35.0
120.08873	1.0
121.06512	9.3
121.10143	21.1
122.10437	1.0
123.04423	2.0
123.08062	9.3
123.11726	4.1
125.05998	5.7
125.09642	2.7
127.07503	0.8
128.06239	4.8
129.07001	19.3
129.07971	1.1
130.07787	2.2
131.08566	38.5
132.08914	2.4
133.06479	3.7
133.10136	18.1
134.10466	1.0
135.04379	1.0
135.08038	7.1
135.11673	7.1
137.05983	2.8
137.09612	22.2
137.13217	1.1
139.03876	1.4
139.07523	10.0
139.11192	5.5
141.05507	1.5
141.06964	6.1
142.07751	3.2
143.08568	16.3
144.09125	1.0
145.06454	3.8
145.10126	22.3
146.10429	1.4
147.08055	5.5
147.11671	7.6
148.12050	0.8
149.06000	7.8
149.09616	6.8
149.13232	2.6
150.10332	1.2
151.07524	3.4
151.11133	2.4
153.05467	8.1
153.09073	1.3
154.07733	1.3
155.08557	8.5
157.06436	0.9
157.10136	12.5
158.10728	1.1
159.08057	2.6
159.11710	13.5
160.12122	0.9
161.05942	0.9
161.09566	4.4
161.13309	4.4
163.07530	3.0
163.11200	2.0
163.14838	1.5
165.05492	0.9
165.09088	3.1
165.12755	1.4
167.03397	1.3
167.07039	5.4
167.08553	2.7
167.10686	3.5
169.10109	7.8
171.08066	1.2
171.11682	8.7
173.06026	1.6
173.09612	2.4
173.13248	6.3
175.07538	2.2
175.11200	2.6
175.14801	2.1
177.05527	1.6
177.09128	3.5
177.12741	2.2
179.08452	0.7
179.10620	1.7
181.08580	15.8
181.10127	3.6
183.06500	0.9
183.10233	1.2
183.11671	5.0
185.09621	1.6
185.13234	4.8
187.11168	1.9
187.14799	3.9
189.09169	1.5
189.12775	2.3
189.16406	2.0
191.07059	7.5
191.10719	1.2
191.14227	2.9
191.17937	1.0
193.08586	2.5
193.10281	1.1
193.12181	4.3
195.11707	3.7
195.13544	0.9
196.12436	0.9
197.13280	5.4
199.11163	2.1
199.14821	3.0
201.12698	1.4
201.16338	2.4
203.10631	1.2
203.14320	1.6
203.17966	1.2
205.08629	1.9
205.12265	1.0
205.15872	1.2
207.06561	0.9
207.10083	1.9
207.11937	1.0
207.13853	2.7
209.08086	100.0
209.13257	3.8
209.15224	1.8
210.08421	5.5
211.14816	3.4
211.31012	0.9
213.12758	1.7
213.16354	2.3
215.14374	2.2
217.12251	2.3
217.15880	1.4
219.13873	4.0
221.08043	0.9
221.11554	1.2
221.13458	1.1
221.15355	2.1
223.14905	3.5
225.07646	1.0
225.16403	2.1
227.10698	1.1
227.14322	1.0
229.15887	1.8
233.15353	2.0
235.13257	16.2
235.16951	1.1
236.13548	0.8
237.14726	8.9
239.18057	1.3
241.15851	2.3
243.17459	1.4
245.11758	1.5
245.15456	1.3
247.16914	3.4
255.17493	1.6
257.11972	0.7
259.13336	1.2
259.16940	2.0
261.18549	3.8
263.12793	17.8
264.13171	0.9
271.13171	2.2
271.16745	0.9
273.18460	1.7
275.12958	0.9
275.20047	1.2
277.14258	1.8
287.19919	1.0
289.14395	1.6
297.11252	2.0
305.13791	1.0
311.20169	0.8
315.12280	1.8
315.15866	1.0
325.25214	3.3
329.17511	1.0
333.16998	1.0
335.23730	4.4
343.26242	5.4
344.26620	0.9
347.18436	1.0
353.24731	17.6
354.25034	1.5
359.02686	1.0
367.14966	1.2
371.25781	14.2
372.26025	1.7
375.18030	5.6
385.16156	1.9
389.26871	16.2
390.26740	1.2
417.22592	7.5
427.21094	2.7
427.28287	3.6
445.22168	50.6
445.29407	69.7
446.22458	6.1
446.29767	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	445.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	6.2
54.56430	6.5
54.89648	6.3
55.01882	14.0
55.05514	78.6
57.03440	11.8
57.07069	9.8
59.09515	5.9
60.75441	7.0
63.79257	6.7
67.05512	70.9
69.03416	8.7
69.07066	76.9
71.04987	12.9
71.08656	10.1
71.32092	7.9
73.04760	15.7
79.05496	61.6
79.22918	7.1
81.03400	14.7
81.07053	100.0
83.04988	15.5
83.08620	91.4
85.06545	14.2
91.05404	58.0
93.07045	91.3
95.04972	20.0
95.08611	99.9
96.08946	9.8
97.06550	33.2
97.10197	21.5
99.08150	10.0
105.07043	79.3
107.04967	8.3
107.08592	78.4
109.06565	10.3
109.10146	56.8
111.08112	43.2
117.07018	12.3
119.08588	77.0
121.06516	21.5
121.10156	70.6
123.08077	10.4
123.11723	26.0
125.09640	23.2
129.06990	9.8
131.08575	37.0
133.10141	58.3
135.08064	14.1
135.11694	61.4
137.05949	17.6
137.09624	33.0
137.13239	11.5
143.08528	17.8
143.88652	7.5
145.10110	43.4
147.08134	12.3
147.11687	41.2
149.09697	17.9
149.13255	25.4
151.11215	16.0
153.09096	7.8
153.12761	8.2
155.08536	7.7
157.10127	18.0
159.11716	25.2
161.09599	16.1
161.13290	40.0
163.11148	10.5
163.14888	9.8
167.10735	11.3
169.10063	10.3
171.11731	15.0
173.13309	27.5
175.09674	60.5
175.11029	12.5
175.14841	19.3
177.12804	8.4
179.10658	9.3
179.14316	11.2
181.12318	9.5
183.11751	15.1
185.13278	15.1
187.14880	21.5
189.11240	11.4
189.12770	9.9
189.16385	21.0
191.17891	14.3
193.12219	15.5
199.14919	10.0
201.12582	8.7
201.16386	13.4
203.18069	9.7
205.12418	8.2
207.13892	7.8
207.17545	11.9
209.08026	18.8
213.16467	11.5
217.19621	12.1
219.13873	13.4
235.13258	22.6
279.23364	8.0
285.90573	7.1
353.24808	6.9
359.02908	10.9
373.27350	25.0
375.17929	16.4
391.28528	53.8
409.30777	12.0
427.32269	55.2
445.29056	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	445.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16852	9.5
55.01866	13.0
55.05510	60.4
57.07065	24.5
58.06590	14.3
67.05495	46.2
69.07069	68.2
69.09879	93.8
71.04984	11.1
71.08619	14.8
73.04759	21.5
79.05479	39.0
81.07053	76.6
81.11992	10.8
83.08614	77.2
85.06530	13.8
91.05793	35.2
93.07030	52.5
95.08601	100.0
97.06551	15.6
97.10159	12.9
99.08057	8.8
105.07034	46.1
107.08575	56.2
109.06478	17.2
109.10144	40.3
111.08094	25.1
119.08587	57.8
121.10134	60.4
123.08088	17.8
123.11665	24.6
125.09609	13.0
126.47398	8.4
131.08566	26.1
133.10115	34.4
135.08035	11.5
135.11655	41.8
137.09660	10.9
139.11227	12.3
143.08583	18.2
145.10094	37.5
147.11681	17.7
149.09619	22.2
149.13272	19.9
155.08456	11.4
157.10185	14.8
159.11717	27.0
161.13278	21.0
163.14786	21.1
171.11577	15.4
173.13260	21.5
175.09650	23.4
175.11119	11.6
177.16386	13.9
183.00458	9.1
185.13272	15.4
187.14896	9.0
189.09052	9.4
197.13301	10.3
199.14760	14.0
201.16356	11.8
203.14470	10.4
203.82234	9.3
235.16779	9.0
236.14996	25.2
251.23691	8.9
309.81384	13.2
315.25259	29.8
353.26791	13.1
359.02780	24.5
381.27673	12.4
391.28635	15.8
409.30951	16.2
427.32101	34.6
445.33313	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	445.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	5.2
55.05512	26.9
55.82153	4.4
57.07080	27.7
67.05503	58.4
69.07055	43.5
70.06599	7.2
70.38396	14.4
71.04989	13.5
71.08628	9.2
71.43724	4.7
73.04762	9.8
79.05495	30.3
81.00375	4.3
81.07053	69.8
83.04955	6.2
83.08616	20.6
85.10181	14.8
91.05402	23.5
93.07050	42.2
94.12022	4.3
95.08601	100.0
96.08936	6.9
97.06523	9.0
97.10166	16.5
99.08096	11.6
99.10886	6.1
104.07083	5.3
105.07024	22.9
107.07890	7.0
107.08582	50.4
109.06521	10.1
109.10154	46.1
111.08088	11.5
111.11730	10.2
113.09661	19.5
119.08596	30.6
121.10121	39.3
123.08073	7.7
123.11703	18.1
125.09627	11.6
127.11248	4.7
131.08539	12.8
133.10114	16.9
135.11707	27.5
137.09653	31.9
137.13249	10.7
139.11166	7.7
141.12834	4.5
145.10147	14.6
147.11662	22.0
149.09605	8.1
149.13205	10.6
151.14859	5.8
155.10680	25.2
158.98657	5.1
159.11722	12.9
161.13274	13.5
163.14813	13.4
171.11700	6.2
173.11884	7.3
173.13268	7.6
175.14777	8.4
179.14194	7.6
187.14806	9.5
191.18019	10.0
201.16348	6.7
203.18005	8.7
237.22008	10.8
261.22223	5.0
279.23190	19.6
286.20981	7.3
297.24237	13.6
384.38293	6.2
391.31650	8.2
409.30917	6.9
427.36395	8.9
445.28125	11.2
445.37036	7.3
446.41971	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.9
55.01868	7.1
55.05511	47.6
57.03431	8.9
57.07064	7.7
57.16151	5.1
61.97893	4.3
65.03934	5.8
67.05157	6.5
67.05502	82.2
69.07065	65.7
69.81480	10.5
69.81879	20.0
71.04988	8.6
73.04755	7.8
79.05496	68.6
81.06622	8.4
81.07054	94.9
82.07375	5.7
83.04969	11.3
83.08604	45.4
85.06540	8.5
91.05440	64.1
92.08935	5.3
93.07039	86.8
95.08598	100.0
96.08955	7.8
97.06511	14.9
97.10163	27.4
99.08076	15.5
105.07025	68.8
107.04953	7.5
107.08582	58.9
107.09147	5.6
109.06508	10.0
109.10147	49.4
111.08099	15.0
111.11720	7.7
117.07021	25.2
119.08561	61.5
121.06536	8.2
121.10134	63.4
123.08067	9.3
123.11706	14.6
125.09626	16.4
129.07004	20.7
129.09134	4.9
131.08542	49.3
133.10130	45.4
135.07988	8.2
135.11671	36.7
137.09589	14.1
139.11180	22.6
141.07019	8.0
143.08554	17.7
145.06512	8.0
145.10107	40.1
147.08038	7.8
147.11661	28.7
149.09634	12.5
149.13245	10.6
151.11140	6.6
155.08592	11.3
157.10091	14.2
157.12204	11.1
159.11667	26.0
161.09612	6.7
161.13251	23.2
163.11269	5.4
163.14806	7.8
169.10129	14.2
171.11681	14.1
173.13312	12.3
175.11171	9.0
175.14795	12.0
177.12900	7.1
177.16408	6.8
181.10138	6.8
183.11694	11.3
185.13300	7.2
187.11150	7.2
187.14862	15.5
189.12770	7.0
189.16391	7.7
191.14177	5.7
191.17949	7.0
193.12270	5.6
199.14861	7.9
201.16391	7.1
203.17941	8.3
211.14902	5.6
217.19547	11.7
219.17456	9.2
235.20657	10.0
241.19556	7.1
253.21756	10.6
268.59528	5.5
343.26266	8.5
353.24731	11.1
359.02869	10.9
360.02466	5.5
371.25815	27.1
373.31287	10.3
389.26892	19.8
391.32043	20.2
401.89667	6.2
409.30838	9.8
427.27728	7.1
427.36572	8.2
445.16470	12.4
445.29303	68.6
445.37299	33.7
446.29691	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	445.3676
Annotation	Topsentisterol C4
Peak:m/z	Relative Intensity
50.45753	1.8
50.80654	2.1
53.03949	3.4
55.01867	3.7
55.05510	32.7
57.07082	30.6
63.00681	1.9
65.03931	2.4
67.05502	30.5
69.03432	2.4
69.07066	71.0
69.15739	7.6
69.16179	7.5
71.01344	2.9
71.04991	3.7
71.08628	32.6
74.03453	1.7
79.05495	28.8
81.07056	74.7
83.08622	30.1
83.45150	1.8
85.06572	2.5
85.10183	20.8
89.02431	2.6
91.05475	32.2
93.07045	55.2
95.04963	3.4
95.08607	100.0
97.06528	4.5
97.10175	18.0
98.23369	4.4
99.11721	2.2
105.07027	60.8
107.04886	1.9
107.08593	72.3
108.08952	2.7
109.06529	5.6
109.10150	51.7
111.04445	2.4
111.11717	17.3
115.03926	2.8
117.07018	10.8
119.08579	45.2
120.08901	2.7
121.06480	4.8
121.10138	45.2
123.08029	4.3
123.11703	25.9
124.12033	2.9
125.13248	6.6
129.05467	3.2
129.06981	5.3
130.07823	2.5
131.08571	37.9
133.10124	44.6
135.08076	6.6
135.11700	28.1
137.05949	2.5
137.09604	10.0
137.13208	11.1
139.07538	2.7
142.07802	2.7
143.08575	10.7
145.10121	46.3
146.10477	2.5
146.31281	2.1
147.08086	4.0
147.11684	40.3
149.05962	3.1
149.09628	6.2
149.13284	18.0
151.07492	2.4
151.14807	6.5
153.09091	4.0
155.07053	14.0
155.08298	2.7
157.10120	14.8
159.11716	31.7
161.09660	2.7
161.13272	24.0
163.07556	8.4
163.11249	4.0
163.14850	12.7
165.09140	14.1
165.16344	2.1
171.11685	13.0
173.09602	3.7
173.13254	17.7
175.11227	4.6
175.14861	6.9
175.69951	2.0
177.09085	6.7
177.12831	2.1
177.16364	3.8
179.10699	6.3
181.90636	1.9
185.13260	10.9
187.14856	8.7
189.16360	9.0
190.16577	2.1
191.07040	11.3
191.10670	19.2
193.12202	10.0
195.11754	2.4
199.11244	3.5
199.14851	8.8
201.12776	2.3
201.16399	8.2
203.17987	7.9
205.12260	8.7
207.13734	3.3
207.17415	2.3
207.21121	2.3
207.34853	1.9
209.08092	16.1
209.11571	2.5
211.13194	2.3
213.16438	6.9
215.17865	2.6
217.12219	2.8
217.19472	3.3
219.13820	8.9
219.21112	3.2
227.14330	4.2
227.17953	5.2
231.13870	5.2
231.21007	3.7
233.15436	6.7
233.22665	4.1
235.13351	3.7
235.24387	2.1
241.19655	2.7
245.15343	7.4
245.23061	2.1
247.16982	4.7
247.24239	6.4
257.22498	2.2
259.16788	4.7
261.25809	7.1
263.16547	6.3
273.18469	6.0
287.20071	11.7
287.22952	2.0
287.27292	2.4
291.19495	2.0
293.07309	2.0
305.21332	6.0
312.09842	2.0
329.24930	2.3
337.63165	2.4
341.32062	9.6
343.33636	20.3
367.33514	4.6
373.30878	3.9
385.34781	5.0
409.34143	3.6
427.35693	33.0
445.22125	4.7
445.36755	65.6
446.37015	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	445.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.6
55.05265	0.7
55.05510	10.8
57.06827	0.7
57.07076	5.9
67.05228	0.5
67.05504	6.4
69.06717	1.1
69.07069	18.6
71.08635	2.9
71.30766	1.0
78.96166	0.5
79.05481	2.7
81.07055	9.9
83.04990	1.5
83.08612	8.7
85.10162	0.7
91.05470	3.3
93.07024	4.6
95.04958	1.0
95.08612	7.9
97.10168	6.0
105.06998	3.5
107.08585	6.2
109.06517	1.0
109.10147	7.0
111.11715	2.1
117.07032	0.7
119.08601	4.3
121.06492	1.9
121.10126	3.7
122.07291	0.9
123.08031	1.2
123.11683	2.5
125.05966	0.7
125.09660	0.7
131.08553	4.0
133.10118	2.4
135.08047	4.1
135.11678	2.3
137.09608	12.7
137.13242	1.5
138.09927	0.9
139.07567	1.6
143.08458	0.9
145.10126	2.5
147.11682	1.2
149.05939	0.8
149.09602	9.0
149.13303	0.7
151.07536	1.0
151.14775	1.0
157.10106	1.0
159.08075	0.9
159.11674	2.0
161.09616	1.7
162.06746	0.8
163.07523	1.8
163.11177	10.0
163.14796	1.2
165.09113	100.0
166.09467	2.9
171.11668	0.8
173.09599	0.8
173.13239	0.8
175.07591	1.3
175.11212	3.0
175.12477	0.6
175.14862	0.6
177.09129	5.6
177.12794	1.0
179.10732	1.4
186.10381	0.9
187.11182	2.0
187.14819	1.1
189.09137	1.8
189.12794	2.1
190.09908	0.7
191.06973	3.2
191.10637	7.0
193.12349	0.8
199.11154	2.3
201.12727	1.9
203.10674	4.8
203.14262	1.2
205.12215	7.8
209.08089	4.4
215.14268	0.9
217.12308	1.0
218.12898	0.7
219.13754	2.0
221.08107	0.6
231.13693	1.4
231.17511	0.7
233.15399	0.9
235.13301	2.1
245.42365	0.6
251.79022	0.6
275.19919	0.8
289.21564	0.9
317.24838	0.6
399.32358	0.9
417.22470	1.6
427.35843	3.9
429.99377	0.6
430.17773	0.7
445.20782	4.6
445.30801	1.1
445.36627	7.1
446.21213	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.9
55.05509	6.9
57.05179	0.7
57.07067	3.3
67.05505	12.2
69.00768	9.5
69.07076	15.8
71.04982	1.2
71.08627	1.4
74.27981	0.7
75.65966	0.8
79.05502	6.5
81.07063	24.7
83.04987	1.1
83.08627	5.7
85.06548	2.0
91.05451	4.9
93.07040	10.8
95.04980	2.0
95.08611	45.9
96.08935	1.2
97.06524	3.1
97.10180	3.4
98.22596	1.6
99.08047	1.2
105.07036	11.5
106.07433	0.8
107.08596	20.0
109.06519	1.9
109.09415	1.8
109.10162	27.2
111.08067	6.2
111.11703	2.7
117.07008	1.0
119.08578	18.6
121.06505	7.1
121.10149	18.1
123.08089	2.9
123.11721	8.9
125.09591	1.0
131.08562	1.6
131.51450	0.9
133.10129	17.4
135.08047	2.4
135.11691	11.8
137.09581	6.2
137.13263	4.8
139.11166	1.8
143.08527	0.8
145.06523	1.8
145.10121	2.0
147.11676	13.8
149.06003	2.4
149.09680	1.6
149.13254	8.4
151.07455	0.9
151.11182	1.7
151.14825	3.9
153.12784	0.9
159.11708	2.4
161.13280	8.1
163.07541	10.3
163.14836	4.3
164.08318	1.4
165.09128	16.1
165.12802	0.9
173.05971	1.6
173.13280	1.4
175.14859	5.3
177.12820	1.0
177.16406	3.2
183.10168	1.5
189.16409	2.7
190.06841	1.3
191.05309	1.1
191.07030	18.4
191.10713	1.0
192.07465	1.1
201.16397	1.2
203.10652	1.2
203.17960	27.8
205.19467	0.9
207.17502	5.0
209.08099	25.8
210.08505	1.1
221.19052	3.8
231.21175	2.0
237.14880	1.2
241.19434	0.8
287.23846	1.0
305.24765	36.1
306.25113	3.2
313.18365	0.9
321.24243	1.9
329.17508	3.6
330.17480	0.8
385.16507	1.0
409.34622	1.0
417.22760	1.4
427.35544	3.1
428.36542	3.2
445.21936	4.9
445.36771	100.0
446.37088	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	445.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.4
55.05510	13.9
57.07066	6.8
65.56323	2.3
67.05499	20.2
68.34233	2.3
69.03407	2.8
69.07066	20.1
69.40511	10.8
71.04996	6.2
78.72331	2.4
79.05473	14.1
81.07052	43.8
83.04984	6.0
83.08614	12.4
85.06523	3.5
91.05487	9.1
93.07040	30.0
93.41619	2.4
95.04988	5.8
95.08603	82.9
97.06532	20.8
97.10189	9.2
98.22639	3.5
99.08105	2.9
105.07048	31.0
107.08595	43.5
109.06531	5.4
109.10153	30.5
111.08086	8.5
111.11744	11.6
113.09656	3.0
117.07062	4.5
119.08567	36.5
121.06488	7.1
121.10145	46.8
123.08077	15.7
123.11702	23.7
131.08586	10.5
133.10107	25.1
134.10460	2.6
135.08066	9.0
135.11691	36.2
137.09610	17.1
137.13263	5.5
139.07547	3.1
139.11249	3.2
145.10094	21.1
147.11665	17.2
149.06018	4.6
149.09583	5.2
149.13257	8.4
151.07600	3.9
151.11206	2.7
157.10201	4.0
159.11671	38.3
161.09628	3.8
161.13261	15.1
163.07558	7.8
163.11162	4.3
163.14825	7.7
165.09113	16.8
171.11775	2.6
173.13264	12.3
175.14864	16.6
177.16344	5.4
179.14282	5.2
182.31844	2.5
187.14766	2.9
189.16380	14.6
191.07091	16.8
191.14355	3.5
191.17953	92.9
192.18254	3.7
193.12422	2.5
201.16385	29.3
202.81613	3.1
205.08682	4.8
207.17352	3.1
209.08055	27.8
209.19006	100.0
210.08406	3.0
210.19417	5.3
219.17453	19.0
235.13373	7.6
237.14735	5.7
237.18465	24.5
289.14066	3.5
293.08774	2.7
383.69983	2.7
417.22714	5.8
445.22153	19.6
445.36838	50.0
446.37082	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	445.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	10.0
57.07079	5.1
67.05492	7.8
69.07068	19.9
69.32668	3.8
69.33099	2.6
71.05001	0.9
71.08619	2.6
79.05503	2.7
81.07057	11.1
82.07449	0.8
83.04984	3.0
83.08617	10.9
85.06535	1.3
85.10194	0.9
86.58242	0.7
91.05506	2.5
93.07050	6.0
95.08610	8.7
97.06536	1.0
97.10182	5.7
98.23238	1.7
105.07023	4.0
107.05002	1.3
107.08599	4.9
109.06517	1.1
109.10159	8.5
111.04430	0.8
111.11723	3.2
116.68272	0.8
117.06990	1.3
119.08613	5.0
121.06529	2.6
121.10160	4.1
122.07302	1.9
123.08096	1.1
123.11724	3.0
125.13283	1.4
131.08603	2.0
133.10139	2.7
135.08076	2.9
135.11655	2.4
137.09612	15.8
137.13243	1.1
139.07620	1.0
143.08582	1.1
145.10159	1.3
147.08032	1.6
147.11693	1.7
149.05992	1.4
149.09624	9.0
149.13274	1.1
151.07571	1.9
153.36363	1.0
156.09409	1.1
157.10132	1.0
159.11729	1.8
161.09691	1.5
163.07564	2.7
163.11194	6.5
165.09116	100.0
166.09465	5.2
171.11694	1.1
173.09612	1.7
173.13202	1.3
175.11195	2.9
177.09087	5.5
179.10799	0.9
187.11237	1.1
189.09122	1.8
189.12758	2.4
190.09900	1.3
191.07057	3.1
191.10655	4.5
196.66406	0.8
199.11084	1.2
203.10771	5.1
203.14380	2.4
204.11372	1.0
205.12225	8.5
209.08109	7.3
217.12256	1.3
219.13884	1.9
231.13799	3.5
235.13292	5.2
245.12091	0.8
248.42513	0.9
301.21655	1.1
345.27673	1.5
375.31732	0.9
399.32346	1.0
414.22046	1.1
417.22662	1.3
427.36032	4.5
445.20978	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	445.3675
Annotation	Nebrosteroid D
Peak:m/z	Relative Intensity
55.05500	13.4
55.33511	1.7
57.03435	2.7
57.07075	3.5
67.05503	12.3
69.07068	23.7
69.29339	1.7
69.48495	10.1
71.08618	2.2
79.05481	12.6
79.70809	1.5
81.07053	23.8
82.07413	1.9
83.05004	2.2
83.08617	10.5
85.06537	1.8
91.05431	9.3
93.07040	32.6
95.08606	45.2
97.06546	4.7
97.10156	9.1
105.07027	22.0
107.08590	52.5
108.08933	1.9
109.06554	1.9
109.10152	25.4
111.08092	2.2
111.11736	3.0
117.07033	2.7
119.08571	26.8
121.10144	35.3
121.10975	2.7
123.08038	1.9
123.11705	9.2
125.09637	4.3
131.08536	8.7
133.10114	25.7
135.11693	27.9
137.13225	4.9
139.11156	10.7
143.08580	3.1
145.10118	16.9
147.11696	18.1
149.09587	2.4
149.13258	8.2
153.12675	8.3
157.10138	6.0
159.11697	20.0
161.13268	13.4
163.11205	2.3
163.14819	29.0
165.16339	2.6
171.11725	4.8
173.13261	10.6
175.14827	10.2
177.16374	5.1
177.35426	1.7
179.14346	2.4
181.15852	27.8
183.11774	2.1
185.13318	4.1
186.14096	1.8
187.14795	13.8
189.16403	5.7
190.09491	2.3
191.14319	2.9
191.17947	7.5
197.13310	2.0
199.14766	3.6
201.16368	41.7
202.16771	2.2
203.17938	35.5
204.18184	1.9
209.15300	2.3
211.14827	4.2
213.16362	6.3
215.17969	4.4
219.17435	44.1
220.17859	2.9
227.17967	8.5
229.19542	4.9
237.18507	21.3
241.19518	3.6
243.21025	1.9
245.19087	1.9
247.20474	2.8
253.19542	3.1
267.21106	2.1
281.22595	2.5
282.28107	1.8
283.24280	4.2
325.27557	2.8
337.18085	2.0
391.33539	10.2
392.34061	2.5
409.34653	100.0
410.35092	12.3
427.35846	15.8
445.29282	2.2
445.36713	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	445.3676
Annotation	Nebrosteroid D
Peak:m/z	Relative Intensity
52.06424	1.2
53.03935	2.1
55.05507	8.2
57.03432	1.9
57.07065	2.8
64.64475	1.1
67.05494	8.3
69.07053	10.1
69.07334	5.4
71.11207	1.1
79.05495	6.5
81.07048	19.3
82.03040	1.1
83.04982	1.5
83.08617	5.0
85.06533	1.4
91.05486	8.1
93.07048	24.5
95.04970	1.9
95.08601	35.5
97.06526	2.3
97.10178	8.9
105.07021	15.4
107.08591	43.0
109.10148	21.6
111.11714	1.4
113.09649	1.4
117.07011	3.3
119.08574	23.1
121.10145	27.7
123.11689	5.7
125.09632	2.6
128.64984	1.2
131.08534	7.1
133.10132	16.0
135.11681	21.4
137.13297	1.9
139.11168	7.8
142.07855	1.4
143.08578	3.3
145.10130	12.7
147.11673	13.1
149.09583	1.7
149.13274	5.1
153.12697	6.8
157.10130	3.1
159.11676	18.9
161.13223	11.2
163.11154	1.8
163.14815	26.2
164.15149	1.3
171.11647	2.7
173.13252	7.7
175.14842	5.2
177.12631	1.3
177.16397	4.1
179.14287	2.7
181.15869	22.7
183.11792	1.5
185.13242	2.8
187.14833	13.8
189.16379	4.0
191.14279	1.5
191.17990	5.0
199.14850	1.7
201.16373	32.4
202.16743	1.8
203.17935	29.6
204.18312	1.9
209.15363	1.3
211.14830	2.5
213.16423	5.2
215.17972	3.5
217.19617	1.4
219.17435	39.0
221.18936	2.9
222.06920	1.2
225.16353	3.3
227.17880	8.5
229.19528	4.0
237.18492	19.2
238.18878	1.2
239.17851	1.2
241.19504	2.2
243.21060	1.3
247.20567	3.1
253.19513	3.5
255.21162	1.7
267.20981	2.6
269.22739	1.5
283.24274	3.3
391.33569	12.5
409.34634	100.0
410.34814	9.5
427.35712	15.5
428.36169	2.3
445.25095	1.9
445.36639	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	445.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.0
55.05513	25.6
57.07075	24.3
65.97416	2.4
67.05502	62.2
69.07063	46.6
71.04995	7.1
71.08624	21.8
72.11533	2.3
79.05489	31.0
81.07054	100.0
82.07426	4.1
83.04971	6.2
83.08620	24.4
85.06535	4.6
85.10176	14.1
91.05444	20.6
93.07038	55.6
95.04952	6.0
95.08604	90.3
97.06535	7.3
97.10155	15.7
99.08064	6.1
105.07030	23.1
107.08585	40.4
109.06538	4.1
109.10148	50.1
111.08076	8.2
111.11707	9.7
113.00014	3.9
117.07035	7.6
119.08582	24.0
121.06510	8.7
121.10131	36.0
123.08067	4.3
123.11680	19.4
125.06000	2.3
125.09631	3.9
129.07053	2.8
131.08554	20.7
133.10106	25.0
135.08066	3.4
135.11685	27.0
137.09554	2.9
137.13251	11.2
139.11145	2.8
143.08574	4.4
145.10101	21.1
147.11665	17.7
149.09621	5.8
149.13269	10.9
151.11183	2.7
155.08630	3.5
157.10130	6.9
159.11708	16.5
161.12059	2.4
161.13190	13.2
163.11163	3.6
163.14815	9.1
165.12761	3.7
169.02643	3.1
169.10127	4.4
171.11667	5.7
173.13206	12.7
175.14873	5.3
177.16418	6.4
179.14354	3.2
181.12219	3.0
183.11755	5.1
185.13286	6.1
187.14818	9.9
191.10727	4.8
191.14275	3.7
199.14767	2.9
201.12999	2.8
201.16368	4.5
203.17868	5.1
205.15857	4.3
209.15457	4.1
213.16492	5.8
219.13556	2.7
223.90445	2.4
225.16405	3.0
227.17892	3.4
227.39464	2.6
241.19669	3.1
243.21083	8.2
243.62332	2.8
261.22031	21.2
269.19150	3.0
275.27170	4.1
279.23178	58.2
280.23541	4.5
297.24277	5.9
311.24097	2.5
318.02695	2.5
333.27783	5.0
359.02707	4.0
361.31183	3.3
367.33780	5.3
381.35126	2.9
385.34686	7.3
399.36325	4.5
409.34756	17.0
427.35901	20.5
428.35861	2.7
445.37201	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	446.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92768	2.7
56.05027	11.7
57.45695	3.0
68.34505	2.7
69.03410	6.8
70.23514	3.0
70.23836	6.8
71.05003	7.5
72.08163	6.3
73.04755	16.2
74.06081	100.0
78.44800	2.6
81.03411	3.9
84.04505	5.2
85.02905	20.8
90.06921	3.7
91.05781	23.8
97.02892	6.8
97.51826	2.8
98.06029	6.8
98.97549	3.2
102.05537	8.7
105.09161	6.2
109.02885	6.9
111.04470	3.6
116.07106	41.7
120.06577	20.2
121.02857	12.2
122.06013	5.2
127.03941	5.6
137.06035	4.0
139.03905	3.4
144.06546	40.5
145.04974	4.9
147.06401	3.1
153.01807	5.6
162.07582	14.9
163.07616	3.4
167.05562	7.5
225.04298	3.3
226.04277	3.8
231.06458	5.3
246.09767	5.0
270.09753	11.4
277.03336	4.8
284.05875	18.3
284.14764	4.6
360.03000	11.6
446.10529	40.1
446.16269	21.5
446.21552	5.6
447.18365	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	446.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.5
54.90213	1.1
57.03445	2.3
57.70262	1.1
58.81762	1.2
59.91547	1.1
61.02922	2.7
69.03422	11.5
69.39669	2.4
69.40073	5.4
71.04967	5.9
73.02906	2.8
73.04753	1.8
79.05444	1.4
81.03423	13.5
82.31213	1.3
85.02902	76.5
86.32792	1.1
87.04449	1.4
91.03911	1.3
91.05785	3.4
97.02892	26.1
99.04451	46.5
103.03941	92.2
104.04256	1.9
105.07030	4.4
109.02879	17.1
123.04369	1.3
127.03909	100.0
128.04266	2.0
145.04955	68.1
146.05269	2.1
163.06020	46.9
167.05518	1.7
176.95468	1.6
187.06001	6.0
205.07016	4.4
218.62053	1.3
271.08075	6.9
289.09283	6.7
307.10257	8.8
329.21921	1.3
360.02814	2.6
439.02524	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.5
55.05487	0.8
55.89355	0.3
57.03434	5.8
57.07071	4.1
58.06597	26.4
59.06924	0.4
59.07377	10.0
60.08163	7.8
67.05477	1.6
67.31316	0.4
69.07037	1.4
70.86765	0.4
71.08624	2.8
73.02900	0.8
75.04478	3.8
79.05460	0.4
79.14137	0.5
81.07062	2.2
83.08570	0.5
85.02901	2.1
85.10180	1.7
87.03973	0.3
87.04466	4.3
93.05492	0.6
93.07023	0.7
95.08617	2.4
98.68391	0.5
103.03927	0.9
105.05466	0.8
105.07018	0.8
109.10129	1.3
113.05974	0.8
115.23322	0.3
123.11707	0.5
131.07024	1.5
133.10072	0.6
143.08531	0.4
144.10184	8.6
148.38081	0.3
159.06505	0.4
162.11221	3.7
191.43727	0.4
203.45337	0.4
218.13895	0.9
230.68884	0.4
236.14909	100.0
237.15247	2.8
384.34439	0.5
428.33679	21.8
429.34097	2.3
432.38596	0.4
446.34729	57.4
447.35114	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	446.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.7
57.03435	5.7
57.07072	9.6
58.06597	39.5
59.06916	0.6
59.07378	12.5
59.97139	0.3
60.08162	12.1
67.05504	3.4
67.90443	0.3
68.88277	0.3
69.05753	3.3
69.07059	2.8
71.04967	0.4
71.08627	6.4
71.61865	0.3
73.02892	0.7
75.04152	0.3
75.04481	3.3
79.05463	1.0
81.07053	4.0
82.95881	0.3
83.08597	1.4
84.08132	0.6
85.02910	2.1
85.06504	0.4
85.10176	3.1
86.65881	0.3
87.04453	4.9
91.05432	0.6
93.05512	0.7
93.07011	1.2
95.08601	4.9
96.08925	0.4
97.06503	0.4
97.10149	0.9
97.37559	0.3
100.11243	0.6
101.05940	0.4
103.03893	0.5
105.05468	1.1
105.06993	0.9
106.81052	0.3
109.10130	2.6
111.11736	0.3
113.05995	1.3
119.08557	1.0
121.10134	0.9
123.07915	0.4
123.11703	1.0
125.09550	0.4
131.07021	1.8
131.08525	0.7
133.10098	0.6
135.11629	0.6
144.10193	9.2
145.10176	0.6
159.11598	0.5
162.11226	2.4
164.91539	0.4
171.11707	0.4
173.13403	0.4
175.14703	0.4
200.12796	0.8
211.20625	0.4
211.82887	0.4
218.13904	1.3
236.14914	100.0
237.15254	3.7
245.83675	0.5
256.15906	0.4
275.85034	0.4
285.24301	1.8
341.26840	0.5
377.53897	0.3
384.34662	1.2
428.33694	30.1
429.34177	2.9
446.34732	98.2
447.35101	10.0
447.41327	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01626	7.8
55.05500	26.0
57.07072	14.6
67.05494	27.2
69.07060	30.7
69.36770	45.5
70.06599	14.9
79.05502	15.9
81.07059	62.5
83.08620	32.6
85.06528	18.3
91.05473	25.7
93.07008	39.2
95.08597	59.7
97.06511	10.4
105.07024	57.2
107.08599	57.0
109.10146	58.2
117.07031	11.4
118.01797	7.9
119.08588	41.7
120.69036	7.8
121.10159	46.1
123.08047	11.7
123.11741	13.6
131.08534	37.2
133.10146	71.1
135.11690	46.0
137.04550	9.1
138.57364	7.0
145.10136	48.5
147.11674	65.5
149.09676	8.7
149.13283	18.5
157.10162	15.0
159.11739	58.5
161.13225	39.8
163.03850	12.6
163.14809	8.1
171.11703	11.2
173.13326	39.0
175.11136	9.6
175.14810	8.3
177.05450	11.3
177.12775	27.5
185.13303	14.2
187.14777	36.9
189.16417	17.0
191.14436	8.8
191.55669	7.8
193.08575	21.2
199.14796	21.0
201.16368	11.8
203.14262	19.3
205.15828	13.4
211.09634	26.1
213.16397	9.4
217.15868	9.5
229.19443	15.9
340.35843	10.5
375.30276	9.2
384.38196	32.1
385.38815	10.6
393.31577	51.4
411.32626	100.0
412.32715	15.5
429.23026	9.0
429.33493	33.4
446.42044	62.6
447.25082	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	447.1286
Annotation	Kaempferide 3-rhamnoside
Peak:m/z	Relative Intensity
52.66927	1.1
53.03950	1.6
55.01854	1.4
55.05511	3.6
56.45391	0.9
57.03437	3.8
63.64985	0.9
65.03944	0.9
66.58344	0.9
67.05508	3.3
69.03436	3.7
69.07067	2.4
69.43110	6.2
71.04990	20.2
75.04494	1.0
77.32767	0.8
79.05500	3.6
81.03416	4.3
81.07053	5.0
85.02903	21.4
91.05494	3.3
93.07041	4.8
94.80894	1.0
95.04971	2.7
95.08595	5.4
97.02905	2.1
97.06528	1.8
97.10185	3.0
103.05474	5.8
105.07016	6.3
107.04968	2.8
107.08587	4.5
107.26515	1.0
109.02907	4.6
109.06532	2.6
109.10153	3.1
109.24586	1.0
111.04449	2.2
115.05459	1.9
117.06973	1.5
119.04967	1.4
119.08602	4.2
121.02882	8.2
121.06487	1.5
121.10155	3.1
122.03649	1.4
123.11660	1.2
125.09636	1.0
127.03876	1.1
129.05492	4.0
129.07018	1.0
131.04929	2.1
131.08536	1.4
133.06509	1.5
133.10144	3.1
135.04349	1.6
135.11711	1.8
137.05969	8.5
137.09619	1.0
143.08485	1.4
143.10683	1.0
145.10081	2.4
147.04407	4.3
147.11682	2.7
149.06001	1.7
151.03905	2.7
151.07550	2.2
159.11716	1.9
161.06006	3.3
163.07599	1.8
164.08406	1.2
165.09114	1.5
167.03426	4.0
167.07172	1.4
173.05983	0.8
173.13249	1.2
175.03889	0.9
179.03415	2.3
179.08572	1.6
185.09842	1.1
195.08116	1.3
199.07553	1.4
201.05437	1.0
207.08119	2.0
227.07129	1.5
235.07471	2.1
239.10585	2.0
241.99622	0.9
243.07809	1.5
253.08752	1.4
255.06419	1.4
267.10104	5.1
273.07556	1.3
283.06512	1.1
283.09769	3.0
285.07883	2.0
285.11276	3.8
297.07388	1.3
301.07059	100.0
302.07397	5.4
311.12808	1.7
323.12698	2.1
343.08237	1.9
393.09805	1.4
411.11044	1.7
447.12607	1.4
447.18121	4.4
447.26892	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	447.1284
Annotation	Kaempferide 3-rhamnoside
Peak:m/z	Relative Intensity
53.03937	1.6
53.80814	1.0
55.05507	2.7
57.03424	3.4
64.95583	1.1
67.05499	1.3
69.03436	2.0
69.07045	1.9
69.17966	3.9
69.18401	4.9
71.04630	1.8
71.04991	24.0
79.05469	1.6
81.03413	2.5
81.07066	2.2
83.04987	1.3
85.02896	20.3
93.07052	2.5
95.04957	1.6
95.08610	1.4
97.02924	1.4
103.05470	2.0
105.07005	3.0
107.04928	1.3
107.08606	2.3
107.54383	1.1
109.02898	2.4
109.06485	1.3
111.04440	1.6
115.05433	1.2
115.36405	1.0
119.08589	3.0
121.02848	4.0
121.10208	1.4
123.04425	1.9
125.26232	1.1
129.05472	4.1
130.96233	1.0
137.02335	1.2
137.05974	3.4
145.10172	1.8
147.04453	1.1
149.05946	1.4
151.03899	1.4
151.44783	1.0
157.10063	1.3
161.06000	4.0
163.14796	1.2
167.03369	3.2
179.03389	2.3
224.57220	1.2
239.10980	1.1
267.10229	1.3
285.11145	3.9
299.05963	1.4
301.07050	100.0
302.07391	6.2
313.06958	2.5
315.08578	16.6
316.08936	1.1
325.07104	1.2
343.08081	2.4
370.27060	1.2
411.10812	2.8
429.11578	2.6
447.12744	4.1
447.21704	1.5
447.27109	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	447.1287
Annotation	Sissotrine
Peak:m/z	Relative Intensity
50.01363	0.2
53.03933	0.6
53.50041	0.2
55.01866	0.4
55.05507	2.0
57.03442	0.2
57.07080	0.3
65.03939	0.3
66.63652	0.2
67.05512	1.5
69.03425	1.3
69.07063	1.5
70.22572	0.5
70.22958	0.3
71.04967	0.4
71.08615	0.3
73.70099	0.2
77.44614	0.2
79.05496	1.7
81.03430	2.2
81.07056	2.9
83.04996	0.9
83.08611	0.8
85.02901	1.0
85.06547	0.3
90.23554	0.2
91.05454	1.5
93.07040	1.9
95.04975	0.9
95.08611	2.3
97.02869	0.6
97.06521	0.6
97.10159	1.2
100.07621	0.2
100.11248	1.7
101.11594	0.1
103.05460	0.5
105.07025	2.3
107.04961	0.7
107.08583	1.5
109.02869	2.5
109.06513	0.7
109.10150	1.5
110.06035	0.2
111.04449	0.9
111.08096	0.3
111.11720	0.2
113.06008	0.2
115.05454	0.5
117.07015	0.8
119.04940	0.3
119.08582	1.8
119.26862	0.2
121.06490	0.6
121.10137	1.5
123.04391	0.3
123.08067	0.5
123.11708	0.5
125.09614	0.4
127.03911	0.7
128.06181	0.3
129.06967	0.3
131.04955	0.4
131.08563	1.2
133.06505	1.7
133.10136	1.3
135.04388	0.5
135.08069	0.7
135.11690	0.9
137.02324	0.3
137.05997	1.5
137.09608	0.4
137.13292	0.3
139.03874	0.2
139.11168	0.4
141.06895	0.2
141.11470	0.2
142.07820	0.2
143.08533	0.8
145.06491	0.4
145.10144	1.5
147.04414	0.4
147.08035	0.3
147.11703	1.4
149.02295	0.3
149.05971	0.3
149.09595	0.4
149.13220	0.4
151.03900	0.6
151.07538	0.4
151.11102	0.2
153.01814	1.2
155.08574	0.2
157.10110	0.9
159.04480	0.2
159.08023	0.5
159.11638	1.1
161.05972	0.7
161.09679	0.3
161.13246	0.7
163.03934	0.2
163.07567	0.4
163.11186	0.4
165.09126	0.6
165.12761	0.2
167.07051	0.2
167.08495	0.2
169.10081	0.2
170.15373	0.4
171.02928	0.2
171.11655	0.5
173.09567	0.3
173.13245	0.4
173.65479	0.2
175.03865	0.5
175.11119	0.3
175.14838	1.7
176.15126	1.6
177.05539	0.2
177.12785	0.2
179.07030	0.2
179.08528	0.2
181.04852	0.2
182.15395	0.7
185.13278	0.3
187.11171	0.2
187.14822	0.3
189.09132	0.3
189.12640	0.3
189.16521	0.2
191.10677	0.3
193.15866	0.2
197.13295	0.3
198.14897	0.6
203.10558	0.2
209.16568	0.3
210.14909	0.8
211.14833	0.2
213.12723	0.3
215.25380	0.2
221.15359	0.3
222.15663	0.7
227.14308	0.3
227.17851	0.3
229.19551	0.2
233.15178	0.2
242.05728	15.9
243.06133	1.0
249.14833	0.8
250.15187	1.4
267.10071	0.4
270.05215	11.1
271.05615	0.6
281.08298	0.2
283.09576	0.3
285.07562	100.0
286.07916	6.8
297.07532	0.6
301.07336	0.3
303.23087	0.3
311.09088	0.2
319.22559	0.2
321.23895	0.2
325.10733	0.4
361.02386	0.2
375.29556	0.2
383.25803	0.2
411.10675	0.5
415.10284	0.2
429.11716	0.4
429.17926	0.2
429.26083	0.9
447.13028	0.8
447.19345	0.7
447.27188	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	447.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.3
65.03943	0.2
67.05492	0.2
68.99763	0.2
69.03420	0.3
71.35070	0.2
79.05489	0.3
81.03426	0.7
81.07045	0.4
83.01343	0.6
85.02913	1.0
91.05453	0.8
93.07038	0.4
95.05016	0.1
95.08619	0.3
97.02895	0.5
97.45350	0.1
99.04439	0.4
103.03942	0.8
104.04261	0.2
105.07008	0.5
106.70267	0.2
107.08590	0.3
109.02884	0.2
109.10152	0.3
115.05429	0.2
119.04936	2.3
119.08547	0.3
121.02858	1.2
121.06512	0.1
121.10139	0.3
123.04430	0.2
127.03904	0.9
128.04260	0.3
129.06978	0.2
133.06465	0.2
133.10110	0.3
137.02351	0.1
137.05949	0.3
139.03851	0.4
145.02858	0.8
145.04951	0.5
145.10104	0.3
146.05290	0.2
147.04405	0.3
147.07968	0.2
149.02327	0.4
150.16263	0.1
151.03931	0.2
157.10149	0.1
161.06000	0.7
163.03896	0.4
163.06058	0.3
165.07028	0.1
167.03401	4.6
167.07031	0.3
168.03922	0.1
177.05540	0.1
177.12878	0.1
181.04839	0.2
185.04453	0.2
191.10753	0.1
218.41492	0.1
235.07338	0.2
239.06999	0.2
243.06476	0.2
257.08005	0.6
270.05261	0.4
283.06161	0.2
283.09723	0.3
284.09793	0.2
285.07556	100.0
286.07910	5.7
297.07501	0.8
303.04861	0.2
327.08594	0.5
351.08704	0.3
361.70316	0.1
394.10809	0.1
429.11887	0.2
447.12311	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1288
Annotation	Trifolirhizin
Peak:m/z	Relative Intensity
53.03929	0.3
61.02922	0.2
62.70882	0.2
64.75236	0.2
67.05515	0.3
67.89173	0.2
68.99789	0.3
69.03428	0.8
69.46851	1.1
69.50001	0.2
73.02911	0.2
79.05484	0.3
81.03415	0.6
81.07061	0.4
83.01337	0.7
83.57240	0.2
85.02901	2.1
91.05471	0.6
93.07029	0.4
95.04926	0.2
95.08662	0.3
97.02886	0.7
98.22652	0.3
105.07017	0.4
106.87695	0.2
107.04991	0.2
107.08598	0.3
109.02876	0.6
115.61601	0.2
119.04943	2.4
119.08579	0.3
121.02856	1.0
127.03918	0.4
139.03891	0.2
145.02844	0.6
147.11807	0.2
149.02299	0.2
161.06047	0.2
163.03902	0.7
165.07034	0.2
167.03395	4.8
167.07048	0.5
170.15182	0.2
173.13260	0.2
174.18347	0.2
175.07599	0.2
191.07004	0.2
194.06964	0.2
199.40500	0.1
235.07147	0.2
253.08563	0.2
257.08304	0.3
267.10019	0.2
270.05096	0.3
285.07565	100.0
286.07880	7.0
286.11069	0.3
297.07599	0.4
447.27155	0.3
448.14572	0.2
457.42780	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.3
55.89923	0.1
56.16799	0.1
65.03933	0.2
67.01865	0.4
67.05482	0.2
68.99799	0.2
69.03117	0.9
69.03488	0.2
69.07052	0.2
69.92220	0.1
71.04966	0.2
79.05487	0.3
81.03410	0.5
81.07047	0.3
83.01358	0.2
83.04951	0.2
85.02906	0.3
91.05476	0.5
93.07030	0.3
95.04966	0.2
95.08585	0.4
97.02891	0.2
97.10163	0.2
98.62542	0.1
99.94943	0.1
105.07018	0.3
107.05013	0.1
107.08617	0.2
109.02854	0.3
109.10131	0.2
119.04948	1.5
119.08553	0.3
121.02882	1.0
121.10151	0.2
127.03851	0.2
131.04922	0.1
131.08519	0.1
133.10185	0.2
135.08067	0.2
137.05978	0.3
145.02849	0.7
145.10091	0.2
147.04434	0.1
147.11624	0.2
149.02303	0.2
149.06003	0.1
149.09535	0.1
151.03905	0.2
157.10146	0.1
161.05969	0.2
163.03893	0.4
165.01796	0.6
167.03394	4.8
167.06992	0.1
169.06491	0.2
170.62314	0.1
183.02908	0.2
183.07990	0.1
187.03862	0.2
197.06097	0.1
211.03833	0.1
229.05109	0.1
239.07217	0.1
242.05571	0.1
247.05936	0.3
257.08069	0.5
267.10361	0.2
270.05112	0.2
283.05978	1.9
284.06604	0.3
285.07553	100.0
286.07907	6.1
297.07584	0.2
303.04703	0.1
447.12891	0.4
447.27051	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03940	10.7
81.07067	14.1
88.99477	10.7
89.34361	10.0
91.05437	12.8
93.07056	16.2
107.08607	16.3
119.08608	14.6
137.05965	25.0
149.02296	15.3
151.03909	44.1
151.07431	12.4
153.01814	29.5
159.06345	10.7
160.10936	10.8
166.11768	11.4
167.06950	15.1
171.15196	9.8
181.25842	9.9
285.07611	32.4
361.02710	14.6
447.14188	100.0
447.21964	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	447.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66523	0.3
51.02383	0.5
52.49426	0.4
53.03943	2.0
55.01875	5.5
57.03438	4.1
59.04990	0.8
61.02639	0.3
61.02928	5.6
65.03932	1.0
67.01859	1.1
67.05502	0.4
69.03432	16.5
69.14960	2.7
70.03753	0.3
71.04988	2.6
71.47243	0.3
73.02922	2.2
77.03932	0.6
79.05496	5.6
81.03421	6.9
81.07048	0.7
83.01353	0.8
83.04974	0.4
83.94586	0.3
85.02907	39.1
86.03235	0.5
87.04483	1.7
91.03956	2.7
91.05480	3.3
93.03413	1.6
93.07037	0.5
94.04179	1.1
95.04961	2.0
97.02895	15.9
98.23347	0.7
99.04446	2.3
102.35880	0.3
103.05464	2.8
105.04541	0.3
105.07033	14.0
106.07368	0.4
107.04960	1.9
109.02872	4.1
109.06536	1.6
111.04430	0.4
115.04002	0.6
115.05460	18.0
116.05740	0.4
117.07005	0.9
119.08572	5.1
121.02855	0.6
121.06517	0.6
121.10143	0.6
122.03678	1.8
123.04399	0.8
127.03926	8.1
129.05482	0.8
129.06978	0.4
131.04929	1.4
132.05702	0.4
133.04976	0.4
133.06493	8.4
135.04419	1.0
135.08044	0.3
137.02359	0.4
137.05978	25.4
138.06293	0.9
141.05486	0.5
141.06999	0.6
143.04938	3.3
145.04958	6.6
145.06480	0.5
147.04419	0.8
147.08025	0.3
147.11720	0.3
149.05988	0.5
149.09566	0.4
150.06728	0.4
151.03915	13.4
151.05045	1.2
151.07504	0.5
153.05505	0.6
153.06953	0.6
154.07748	0.4
157.06488	0.5
160.05174	0.7
161.05978	59.4
162.06366	2.9
163.05946	0.3
163.07614	0.8
165.07062	0.6
167.07080	2.4
167.08415	0.5
168.09367	0.4
169.06549	0.4
169.10110	0.8
173.05994	0.5
175.07516	2.4
177.08966	0.5
178.07773	3.1
179.08546	7.4
180.08899	0.6
181.06479	2.0
182.07289	1.3
183.08040	0.8
185.05977	0.3
189.06934	0.5
190.07794	0.4
191.07024	1.3
192.05659	0.4
193.10197	0.7
193.12135	0.5
195.08084	0.7
196.08841	3.5
197.05986	0.5
197.07990	0.4
197.09554	2.5
199.07549	0.8
201.09189	0.4
206.07237	0.6
207.06126	0.4
207.08064	8.4
208.08620	0.9
209.05925	0.6
209.09651	0.5
210.06755	1.0
211.07632	1.7
211.11198	0.6
213.09018	0.4
219.10143	0.4
221.09651	1.1
223.07671	0.6
224.08316	6.6
225.05515	0.4
225.09055	6.4
226.09610	0.5
227.07057	1.0
228.07825	0.6
234.06830	0.4
235.07536	18.0
236.08026	1.5
237.05447	0.7
237.09061	0.6
239.10683	8.2
240.11021	0.7
242.09383	0.8
249.09090	1.5
251.07071	0.6
252.07787	4.4
253.08585	5.2
254.09158	0.5
255.06509	0.9
256.07281	0.7
257.11710	1.8
265.08676	0.4
267.10168	24.2
268.10529	1.9
270.08804	1.9
271.06024	1.2
285.11209	100.0
286.11520	7.4
309.11246	0.4
327.12424	0.4
341.13907	1.1
358.14120	0.4
372.15533	1.6
373.16565	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02397	0.2
53.03946	1.9
55.01875	6.3
57.03437	3.5
59.04996	0.6
61.02927	6.2
61.60367	0.2
65.03934	0.8
67.01869	0.8
67.05505	0.4
69.03430	16.5
69.08560	1.6
70.53061	0.2
71.01344	0.3
71.04990	1.8
73.02920	2.2
77.03934	0.2
79.05495	5.6
81.03421	7.8
81.03905	0.4
81.07060	0.7
83.01347	0.9
85.02906	40.1
86.03261	0.7
87.04479	1.8
91.03954	2.2
91.05476	2.4
91.76783	0.2
93.03429	1.4
93.03931	0.2
93.07098	0.2
94.04187	0.8
95.04980	1.4
97.02895	14.4
98.03256	0.3
99.04460	2.7
101.02382	0.3
103.05473	3.2
105.03387	0.4
105.04533	0.5
105.07031	15.2
106.07363	0.6
107.04964	1.7
109.02879	4.0
109.06513	1.6
115.05460	18.1
116.05798	0.6
117.07025	0.3
119.04963	0.3
119.08572	0.3
121.02896	0.6
122.03661	2.5
123.04446	0.5
127.03920	6.9
128.93282	0.2
129.07010	0.3
131.04932	0.8
132.05684	0.3
133.06490	9.0
134.06837	0.3
135.04413	1.6
135.08084	0.3
137.05978	27.9
138.06331	0.9
141.06992	0.4
143.04930	3.1
145.04961	6.2
145.06279	0.3
147.04434	0.4
147.08003	0.2
149.06012	0.5
150.06769	0.9
151.03911	12.3
151.04991	0.8
151.07552	0.4
152.04263	0.4
153.05450	0.4
153.07027	0.5
154.07787	0.5
155.08569	0.4
157.06511	0.4
159.04330	0.3
160.05182	0.4
161.05977	60.1
162.06310	2.2
163.07545	0.7
165.06995	0.8
167.08594	0.6
168.05722	0.2
168.09386	0.3
169.05106	0.2
169.06429	0.4
169.10185	0.6
173.05980	0.5
174.06848	0.3
175.07553	0.9
177.06877	0.2
178.07784	2.6
179.08557	7.6
180.08900	0.4
181.06494	2.1
182.07243	1.4
183.08046	0.9
185.05933	0.2
187.07657	0.3
189.06989	0.4
190.07745	0.4
192.05779	0.3
193.10159	0.8
195.08047	0.9
196.08856	3.7
197.05971	0.2
197.09621	2.5
198.10133	0.3
199.07513	0.9
201.09079	0.3
206.07271	0.8
207.08058	8.6
208.08626	1.0
209.06009	0.7
209.09642	0.4
210.06801	1.2
211.07536	2.1
211.11198	0.7
213.05429	0.5
213.09048	0.5
221.09645	1.1
223.07635	0.3
224.08336	7.1
225.09082	6.4
226.09424	0.5
227.07056	1.2
228.07761	0.4
235.07535	18.7
236.07996	1.4
237.05463	0.6
238.06139	0.3
239.10663	8.1
240.11008	0.5
241.05037	0.3
242.09364	0.8
243.10100	0.5
243.76788	0.2
249.09169	1.7
252.07832	4.3
253.08569	5.0
254.09137	0.5
255.06456	1.0
256.07309	0.8
257.11710	1.9
267.10159	23.8
268.10507	1.5
270.08847	1.9
285.11203	100.0
286.11539	6.2
390.53235	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.8
55.01856	1.4
55.05503	5.6
65.03930	1.9
67.05505	5.2
69.03417	3.0
69.07063	4.5
71.04976	1.6
71.32835	1.1
75.77357	0.7
79.05486	4.9
81.03407	5.4
81.06667	0.7
81.07054	6.5
83.04961	1.5
83.08633	1.2
85.02876	2.7
89.03899	1.8
91.05476	28.7
93.07043	6.0
94.04185	2.4
95.04967	5.9
95.08598	6.4
97.02855	1.6
97.06531	1.3
97.10163	6.7
99.04402	1.0
103.04852	1.0
103.05466	13.9
105.07026	7.3
107.04911	3.3
107.08584	5.9
109.02879	8.4
109.06470	2.4
109.10165	5.6
111.04399	2.4
111.08073	1.4
115.05444	6.6
117.03336	1.7
117.07012	5.5
119.04942	16.7
119.08599	4.5
121.02933	0.8
121.06465	3.0
121.10166	3.8
122.03635	5.2
123.04410	2.0
123.11670	3.0
124.05140	1.4
127.03888	2.6
128.06184	4.7
129.06956	2.6
131.04930	11.9
131.08577	3.4
133.06477	2.3
133.10126	4.9
135.08066	1.9
135.11670	2.1
136.05185	1.4
137.05972	47.8
137.09491	1.3
139.11150	0.9
141.07018	1.1
143.04912	5.8
143.08577	6.2
143.10600	1.8
144.05734	1.0
145.06465	5.1
145.10074	2.9
147.04355	1.8
147.07986	1.0
147.11656	2.5
148.05180	2.0
149.05974	14.3
149.09601	0.9
151.03932	5.6
151.07536	51.2
152.06171	2.6
152.07881	1.0
153.06979	4.8
154.07701	0.9
155.05971	1.0
155.08519	1.2
157.06401	2.0
157.10130	1.8
157.12173	0.9
159.04419	5.2
159.08055	1.6
159.11647	3.4
160.05153	5.5
161.05977	6.3
161.09612	1.8
161.13181	1.7
163.07527	6.8
163.11148	0.9
164.08246	1.7
165.07031	1.5
165.09076	2.6
166.07729	1.4
167.07101	1.1
167.08507	3.7
169.06396	1.7
169.10077	1.4
171.08047	14.8
171.11690	1.4
173.05902	2.0
173.09503	1.2
173.13190	2.7
175.06143	1.1
175.07558	16.6
175.11092	1.0
175.14809	0.9
177.05525	1.6
177.06976	4.2
177.09070	1.7
177.12766	1.1
179.08507	1.5
179.10783	1.1
179.82822	0.9
181.06401	2.7
181.09987	1.0
183.07968	1.3
183.11517	1.8
187.07516	2.0
189.09061	1.0
191.08537	1.8
191.10637	1.6
193.12199	0.9
194.07196	1.6
195.08078	9.2
197.05933	2.4
197.09393	1.0
199.07532	10.8
201.09052	2.1
202.07846	4.1
205.06503	8.3
206.07249	0.9
209.09563	2.7
211.07491	1.9
212.08246	1.8
215.08740	1.4
216.09380	1.1
217.10030	3.6
219.07968	4.2
220.08759	3.2
222.06680	3.5
223.07545	16.2
224.08096	1.8
225.08902	1.6
227.17953	0.8
231.07970	1.6
231.13812	1.0
233.05888	3.0
233.09567	1.1
234.06679	1.9
235.07404	1.8
235.11154	2.7
237.09076	4.7
238.09787	0.9
239.06978	1.9
239.10625	1.1
240.07748	7.8
241.08325	0.9
242.05858	1.1
245.09689	6.1
247.07527	5.6
248.08327	3.9
249.08948	3.6
250.06230	1.8
251.07021	16.4
252.07690	2.7
253.08490	2.2
255.10211	4.3
258.06543	1.0
259.07324	1.0
259.09793	1.2
261.09000	0.9
262.09888	5.2
263.10629	9.0
264.07620	1.0
264.10919	0.8
265.05960	1.3
265.08511	10.6
267.06631	1.1
267.10052	2.4
268.07318	12.8
269.07892	4.0
272.08188	1.1
273.09052	5.8
274.09824	1.1
275.06882	1.8
276.07700	1.3
277.08578	1.8
277.12125	5.9
279.06442	2.0
280.07962	0.9
280.10983	2.8
281.08069	1.6
282.08813	1.1
283.09622	67.2
284.10144	7.5
285.07605	22.7
285.10986	3.6
286.07925	1.1
290.09302	5.5
291.10080	13.2
292.10712	2.2
293.08075	5.7
293.10947	1.1
294.08673	3.5
295.09644	3.1
295.13181	15.0
296.13544	1.3
297.11044	2.6
305.11697	16.4
306.11987	1.7
307.09610	1.5
308.10449	12.8
309.11072	4.5
314.09161	1.1
323.12756	100.0
324.13281	5.3
339.09863	1.2
341.11517	1.2
342.08884	1.2
357.11087	1.7
369.14975	1.3
371.12753	1.3
385.10495	2.7
397.14099	1.3
399.12091	1.3
400.13058	5.0
403.11530	1.0
411.24994	1.2
414.14386	1.0
415.15244	1.7
417.32941	0.9
418.14145	4.0
419.18433	5.5
429.17017	7.3
429.26102	2.4
432.15469	1.1
447.17755	96.3
447.27466	8.6
448.18228	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	447.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	11.8
56.96573	8.3
65.03921	5.6
69.03419	13.3
70.95284	12.5
73.04760	6.3
79.05499	7.5
81.03395	10.0
81.07034	8.5
83.04983	20.0
85.02906	24.0
97.02870	18.9
98.97578	11.1
103.99416	5.8
105.07005	14.6
108.34389	6.8
109.02868	10.2
115.05456	6.5
127.03927	14.7
137.02347	57.1
137.05971	15.9
145.04993	8.4
149.02400	11.3
151.03891	15.2
153.01880	7.0
153.05453	26.7
158.71277	8.5
161.06012	18.1
167.06987	8.7
169.04967	10.5
185.08044	46.1
190.57787	7.4
227.09334	7.1
241.11099	32.5
251.09201	9.4
259.12094	41.4
275.09131	25.3
285.10751	15.3
293.10107	13.3
297.20517	7.0
303.11148	15.6
447.06635	17.0
447.15671	100.0
448.16110	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	447.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.9
53.96791	0.7
55.01871	2.7
56.49132	0.9
57.03435	3.2
65.03945	1.1
69.03413	2.1
69.33611	2.2
69.34023	3.9
70.63791	0.8
71.01344	0.9
71.04995	1.5
73.04759	1.3
74.06092	0.9
78.04704	2.3
79.05492	8.2
81.03387	4.1
85.02896	3.2
91.05407	5.3
92.06257	1.0
93.07056	1.0
95.04968	1.8
97.02881	4.0
103.05463	13.3
104.08763	0.9
105.07026	8.2
106.04163	1.0
107.04953	88.5
107.08604	1.4
108.05278	1.9
109.02897	1.9
115.03873	1.5
115.05470	4.4
116.57867	1.0
117.07026	2.8
119.04945	1.9
120.05727	6.4
121.02855	1.8
121.06520	1.9
123.04407	5.2
124.05229	2.1
131.04944	6.9
133.05046	1.9
133.06474	7.5
135.04445	1.0
135.08054	27.9
137.05974	2.9
139.03880	1.6
144.05704	1.7
145.07649	2.4
147.04404	1.7
148.05211	5.5
149.02391	1.5
149.05957	2.5
151.03937	1.4
151.07486	1.3
152.04712	1.5
153.05449	0.8
154.06210	3.5
161.05980	3.7
162.06656	1.1
163.07541	86.7
164.07880	4.3
165.05478	8.1
165.09109	1.7
167.07033	85.7
168.07433	2.6
179.06995	3.4
180.07806	88.7
181.08360	5.1
189.09134	1.1
193.08586	12.2
194.09235	1.6
195.10161	100.0
196.10542	4.2
205.08606	0.9
211.09724	1.5
213.09172	2.1
213.11209	37.4
214.11601	1.8
237.11336	1.4
269.10211	1.3
277.03470	2.7
287.14828	1.1
303.01248	1.0
361.02686	1.7
431.02173	1.0
447.13681	1.4
447.18219	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	447.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.5
57.03452	0.9
60.74069	0.6
67.05492	2.2
67.63367	0.7
68.99776	0.7
69.03429	1.2
69.04958	1.2
69.05358	6.0
69.07063	0.8
70.97662	0.6
71.04994	1.6
79.05492	1.7
81.07058	1.0
83.01336	5.2
83.04961	0.8
85.06531	2.1
86.49294	0.6
91.05488	1.7
93.07038	1.7
95.04972	4.8
95.08610	1.3
97.06522	2.6
98.22618	1.7
105.07027	1.6
107.08574	1.2
109.06530	3.7
109.10160	1.8
111.08108	0.7
113.06007	20.8
113.92156	0.6
117.52419	0.7
119.08582	2.6
121.10165	3.5
123.04459	1.7
123.08084	3.4
123.11680	0.8
125.09629	2.3
129.06953	1.4
135.08046	1.0
137.05991	17.0
137.09641	1.6
139.11191	6.6
141.05457	1.8
147.08066	3.2
149.09601	2.7
149.13264	0.8
150.10419	1.6
151.07593	3.3
155.07019	0.9
160.05309	1.0
165.09122	27.2
166.09413	1.2
167.10675	2.1
169.08582	0.9
175.07545	14.5
178.06255	5.8
191.14323	1.5
192.07834	1.6
193.08611	62.1
194.09001	2.6
209.15413	1.3
211.09665	100.0
212.10001	4.1
237.14856	10.3
297.11194	1.1
315.12216	0.9
343.18732	0.9
401.23257	1.1
429.22748	24.7
430.23071	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	447.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44718	0.7
51.08979	0.6
53.03947	0.9
54.78211	0.6
55.05504	0.7
57.07061	0.8
60.55398	0.6
67.05497	1.2
69.03440	0.8
69.07061	0.9
69.62091	4.0
71.04994	1.4
79.50751	0.6
81.07033	1.1
81.38617	0.6
83.01324	4.9
85.06549	1.6
91.05492	1.7
93.07049	1.5
95.04964	2.9
95.08609	0.9
97.06522	1.4
105.06989	1.5
107.08586	1.8
109.06534	3.1
109.10149	0.7
111.08055	0.9
113.06012	18.8
117.07003	0.7
119.08560	1.6
121.06480	0.6
121.10133	2.8
123.04399	1.0
123.08051	3.8
123.11697	1.2
125.06003	0.8
125.09625	2.6
129.07079	0.9
131.22617	0.6
133.10173	1.0
137.05995	13.1
137.09692	1.1
139.11220	5.7
141.05490	2.1
147.08061	2.3
149.09622	2.8
149.13322	1.1
150.10419	1.8
151.07590	3.0
155.07040	2.9
157.06453	0.8
160.05162	0.7
163.07584	0.6
165.07689	1.3
165.09114	28.4
167.10684	3.3
169.08629	2.7
175.07552	12.6
178.06308	4.0
191.14301	2.1
193.08609	86.8
194.09003	3.4
205.08492	0.7
209.15416	3.0
211.09656	100.0
212.09967	4.1
237.14854	11.2
238.15157	0.9
245.11771	0.7
247.13341	1.2
257.11542	0.7
265.14352	1.0
315.12296	2.6
325.18277	0.7
327.15878	2.1
336.13452	0.8
353.77768	0.7
357.25516	0.6
358.17581	0.9
371.14755	0.9
396.50662	0.7
401.23331	2.6
403.53165	0.7
411.22000	0.8
429.22726	17.6
430.23065	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44693	0.6
53.03932	1.1
57.03431	0.6
57.07067	0.8
59.04995	0.5
66.89091	0.4
67.05497	1.3
69.03419	0.8
69.07054	1.2
70.58512	1.3
71.04981	1.3
72.39849	0.5
73.81078	0.5
79.05479	0.6
81.07059	1.1
83.01332	4.9
83.04958	0.8
85.06538	1.5
91.05462	1.3
93.07034	1.1
95.04969	2.9
95.08594	0.6
97.06505	1.1
105.07030	1.3
107.08602	0.9
109.06523	2.5
109.10152	0.9
113.06002	15.3
119.08592	1.4
121.10130	3.4
123.04430	0.9
123.08025	3.0
124.05226	0.7
125.09634	1.6
129.07022	0.8
137.05978	11.5
137.09584	1.3
139.11160	3.4
140.40012	0.4
141.05441	1.3
147.07986	2.6
149.09593	1.0
150.06763	0.7
150.10374	0.8
151.07535	2.7
155.06998	1.5
157.06508	0.6
165.09109	18.7
166.09404	0.8
167.10736	1.3
169.08603	1.1
173.13339	0.5
175.07524	9.6
178.06311	3.1
191.14197	0.9
193.08594	42.0
194.08977	1.2
201.79202	0.4
205.08606	0.6
209.15356	1.3
211.09642	100.0
212.10014	3.7
213.51674	0.4
237.14853	9.4
238.15100	0.8
265.14413	0.9
281.11789	0.6
297.11099	0.7
299.12521	0.8
315.12280	1.4
327.15915	0.7
358.17654	0.6
401.23178	0.8
402.90872	0.5
429.22702	24.1
430.23035	2.9
447.23395	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.9
53.03944	8.5
55.01875	9.1
55.05260	2.7
55.05508	45.2
56.71939	1.3
57.03437	15.7
57.07066	5.1
59.04996	1.9
61.02898	1.3
65.03933	6.5
67.05502	86.6
68.05824	1.4
68.07896	1.3
69.03422	8.6
69.07067	27.0
69.15715	4.4
69.16135	9.8
69.49019	1.3
71.01349	2.3
71.04529	1.2
71.04989	9.1
77.03955	1.8
79.05490	88.2
80.05773	1.5
81.03414	100.0
81.07053	56.7
82.03755	1.8
82.07385	2.3
83.04977	18.1
83.08617	27.2
85.02921	4.4
85.06544	6.4
91.05468	75.7
92.05789	2.7
93.07040	81.1
95.04967	45.9
95.08601	33.6
97.02872	3.7
97.06525	14.3
97.10165	20.1
98.06853	1.8
99.04453	2.9
99.08081	4.4
103.05459	5.3
105.04522	2.3
105.07027	49.6
107.04948	19.2
107.08585	47.4
107.65054	1.6
108.08921	1.7
109.02898	7.9
109.06523	15.4
109.10146	17.9
111.04457	4.0
111.08060	13.6
115.05466	4.4
116.06290	1.6
117.07002	20.5
117.40371	1.6
119.04930	5.7
119.08576	34.2
121.06503	17.7
121.10145	20.7
123.04440	3.6
123.08058	5.4
123.11715	3.8
125.09611	11.1
128.06233	5.6
129.07011	21.4
130.07762	2.3
131.04945	6.2
131.08556	28.1
132.08965	2.6
133.06511	9.7
133.10129	22.2
135.08080	8.6
135.11687	49.1
136.12027	2.8
137.05972	14.2
137.09647	6.8
139.11203	3.2
140.89200	1.8
141.06993	4.2
142.07777	5.0
143.04932	2.0
143.08571	9.8
145.06465	10.9
145.10115	23.4
147.04350	1.8
147.08064	10.1
147.11681	17.0
149.02362	3.8
149.05971	4.3
149.09621	9.5
149.13303	3.8
151.03917	2.7
151.07552	8.1
151.11203	2.8
153.09084	2.5
153.12749	2.3
155.08553	5.1
157.06407	1.6
157.10143	17.1
159.08055	4.4
159.11688	11.2
161.05962	2.9
161.09579	7.6
161.13284	5.0
163.07520	3.4
163.11194	14.6
165.09081	2.6
165.12772	3.4
167.07057	2.1
167.08522	2.8
168.09279	2.1
169.08792	1.4
169.10158	6.0
171.08060	4.0
171.11685	5.3
173.09685	2.6
173.11832	1.9
173.13284	4.7
175.07564	4.5
175.11179	15.9
175.14825	2.9
176.11557	1.4
177.05435	1.8
177.12787	2.4
181.10086	4.5
181.12245	6.4
183.08252	1.5
183.11699	5.7
183.74380	1.4
185.09688	3.0
185.13223	9.6
187.11195	4.2
187.14832	3.6
189.09334	2.0
189.11223	5.8
193.08607	2.3
193.12225	34.4
194.12645	1.9
195.07985	1.7
197.13281	3.1
199.11263	2.3
199.14708	1.9
201.09262	2.1
201.12790	6.6
203.10573	2.2
203.14352	5.5
205.12222	4.9
207.11707	1.8
209.13376	2.2
211.09410	1.7
211.11237	2.9
211.13080	1.9
211.14922	2.2
213.12781	2.7
215.14333	2.0
215.18108	2.0
219.13872	2.1
221.15260	2.0
223.07648	2.3
225.12772	2.1
227.12630	2.1
229.15723	1.5
231.13814	1.8
241.15904	1.8
243.13872	2.4
245.09557	2.2
249.14972	5.1
251.07002	2.9
257.15298	2.2
265.08725	1.9
267.15823	1.8
271.16785	1.9
275.16333	2.1
283.09805	7.4
284.10379	2.0
285.11191	2.1
305.11630	1.8
323.12762	8.2
327.23196	3.2
329.21182	3.1
337.21664	6.8
347.22540	2.4
355.22641	20.5
361.02432	2.0
373.23758	6.1
403.24881	4.9
411.29166	3.1
429.25949	13.7
447.18436	11.9
447.27444	85.8
448.27777	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	447.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.1
55.01887	8.0
55.05507	38.2
57.03439	9.3
57.07067	7.7
60.06934	3.4
65.03930	7.3
67.05502	76.4
68.05872	2.9
69.03431	7.8
69.07065	32.5
70.10465	2.9
71.05008	9.9
71.32005	3.2
71.32368	3.3
79.05492	51.9
81.03413	24.1
81.07059	100.0
83.04971	11.9
83.08631	18.7
84.75336	3.3
85.06535	5.5
87.04478	17.0
91.05466	45.5
93.07043	64.8
95.04961	23.0
95.08611	93.6
97.06529	12.4
97.10184	12.0
99.04456	5.3
105.07024	48.7
107.04969	8.3
107.08595	46.6
109.02861	8.0
109.06535	8.0
109.10156	41.7
111.08070	11.5
113.06051	8.0
115.03938	12.2
115.05492	4.1
117.07014	15.5
119.08575	51.0
121.06522	10.0
121.10137	53.0
123.04472	5.0
123.08067	8.9
123.11723	25.0
125.09642	9.6
129.07027	10.0
131.04984	4.7
131.08549	23.6
133.06512	7.2
133.10129	44.5
135.04422	5.4
135.08060	9.3
135.11688	44.9
137.05988	32.5
137.09616	7.3
137.13239	10.0
139.11186	12.0
141.07002	5.0
143.08568	9.4
145.06416	4.6
145.10127	33.3
147.08015	5.1
147.11671	27.1
149.02390	6.1
149.06009	5.5
149.09637	7.0
149.13257	17.8
151.03911	5.9
151.07584	3.4
151.11269	8.5
152.58614	3.3
153.09012	4.4
155.08507	6.7
157.10110	15.4
159.11707	28.1
161.05919	5.4
161.09680	5.4
161.13261	14.6
163.07556	3.5
163.11229	6.3
163.14827	12.0
165.09093	17.0
165.12749	5.1
169.10156	5.1
171.11705	13.3
173.09657	4.2
173.13286	15.7
175.07530	8.4
175.11160	7.0
175.14841	12.7
177.12724	8.2
177.16397	3.7
179.14288	8.4
181.10062	4.0
181.12306	4.5
183.11682	7.8
185.13301	10.8
186.89868	3.5
187.11174	3.9
187.14883	18.1
189.09135	5.3
189.12814	3.9
189.16385	12.4
191.55013	3.8
193.08591	26.1
193.12279	8.3
195.11761	3.5
197.13298	5.0
199.14787	6.3
201.16374	9.0
203.14275	5.3
205.15816	4.3
207.10136	7.3
207.17468	9.9
211.09651	58.6
212.10094	4.5
212.95900	3.1
213.16359	7.9
215.18019	13.8
219.10098	3.8
219.17545	4.3
223.16931	6.7
225.16335	4.9
237.14818	7.1
241.19354	4.1
243.21140	8.7
258.19601	4.2
261.22174	18.6
279.20129	4.8
279.23190	77.1
280.23599	5.1
285.11328	4.2
289.17929	3.6
295.09937	4.1
297.24292	8.2
375.25137	4.8
375.30341	5.1
393.26855	5.2
393.31607	10.5
401.30356	10.5
411.27762	10.4
411.32831	7.2
429.22464	15.3
429.29269	7.8
429.33871	10.6
447.18661	6.2
447.27991	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	447.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96523	3.8
55.01880	4.1
55.05505	17.9
55.45933	3.9
56.66668	4.2
57.07060	5.1
59.65812	3.8
67.05499	63.3
67.89350	4.1
69.07067	90.4
70.99596	6.7
71.05000	8.3
73.06533	10.6
79.05490	30.9
81.07048	70.5
81.12701	3.9
83.04964	7.2
83.08603	10.5
85.06554	4.6
91.05474	17.6
93.07041	28.9
95.08597	64.4
97.06535	30.0
97.10171	4.8
105.07043	17.9
107.08598	24.2
109.06537	6.0
109.10133	33.0
111.08084	5.6
115.07568	74.6
117.07021	9.3
119.08562	20.7
121.10140	22.4
123.08067	8.2
123.11720	14.1
125.09642	5.6
131.08539	9.6
133.10121	12.9
135.08160	4.8
135.11673	13.6
137.13269	11.3
143.08525	4.6
145.10135	14.9
147.08087	7.6
147.11736	11.1
149.02341	12.6
149.09644	5.1
149.13220	8.1
159.11708	7.8
161.13200	9.5
163.14819	5.5
165.12755	5.2
171.11739	5.7
173.13234	11.7
175.14838	5.2
181.12202	4.5
198.44977	4.4
234.67917	4.1
243.20943	10.2
250.31853	4.5
261.22104	17.8
279.23166	100.0
280.23615	6.5
297.24203	17.9
361.02457	5.2
429.29599	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	448.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.5
53.30835	0.9
55.01862	0.9
55.05509	1.8
57.03438	13.0
59.45017	0.8
61.02922	2.2
63.19631	1.0
67.05508	1.7
69.03431	4.5
71.04991	79.3
72.05318	1.4
73.02904	4.6
75.04489	4.6
79.05502	1.7
81.03423	1.4
83.04980	6.7
85.02904	100.0
86.03236	1.7
87.04456	2.0
91.05465	2.4
95.04967	1.1
97.02886	6.7
98.23311	2.2
99.04440	2.3
103.03955	1.1
105.07037	2.8
107.04957	0.9
109.02835	1.2
110.06090	1.0
111.04444	3.4
117.06994	1.0
119.04942	1.9
119.08574	3.1
121.10151	1.0
123.04472	1.4
123.08082	2.7
127.03901	4.0
129.05470	44.8
130.80122	0.9
131.04889	1.0
133.06467	2.0
133.10185	1.0
135.04405	1.5
137.05991	2.3
139.03877	0.9
143.08551	1.1
145.04938	4.2
146.08081	2.0
147.06522	20.7
147.07774	1.4
151.03906	3.0
151.07535	2.5
153.01820	6.5
154.02121	1.3
161.05995	2.9
163.06004	1.1
163.07419	1.0
164.09193	5.0
167.07040	6.4
173.02359	2.0
175.07594	0.8
177.09099	19.0
179.06929	1.0
181.04967	1.5
189.09119	1.6
190.02737	1.0
193.08597	8.4
197.00201	0.8
201.01796	5.4
205.77773	0.9
216.22179	0.8
221.11737	2.4
229.01321	3.1
246.01656	2.0
255.08623	1.9
257.00803	26.7
267.12375	2.3
267.24594	0.9
271.06021	7.7
272.06354	20.1
274.01163	1.6
285.00305	40.3
286.01099	1.3
286.07727	1.4
287.05615	4.3
287.12561	1.8
302.00577	5.9
317.02917	89.5
438.03369	1.0
448.16302	1.6
448.29602	2.9
449.17737	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	448.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.4
55.01887	0.6
55.05499	1.2
55.64641	0.5
55.78720	0.4
57.03437	7.4
59.03391	0.5
61.02915	1.1
61.61539	0.6
69.03427	1.8
70.58356	1.3
71.01347	0.8
71.04992	45.8
73.02908	1.7
75.04465	2.5
79.05498	5.2
81.03426	0.7
83.04983	6.5
85.02903	59.9
86.03233	0.9
87.04479	1.6
91.05464	1.1
94.37484	0.6
95.04983	1.1
97.02895	2.5
99.04463	1.9
103.05449	2.9
105.07027	100.0
106.07359	2.4
107.04957	1.1
109.02867	1.0
111.04446	3.0
113.39781	0.5
117.07038	1.0
119.08583	2.3
121.06526	1.0
127.03917	1.9
129.05478	27.3
129.06961	0.8
130.05801	0.8
131.06961	1.1
131.08597	0.9
135.04382	0.7
137.05989	1.0
141.07011	0.8
143.08519	1.0
145.04950	1.5
145.06438	1.0
146.08167	1.0
147.06517	17.1
147.08029	2.2
147.67735	0.6
153.01820	1.2
157.63469	0.6
159.08072	2.3
163.06088	1.3
164.09161	4.1
165.07588	0.7
171.08067	1.1
189.09140	2.3
205.11940	0.5
238.84406	0.6
255.08694	1.0
273.09689	1.6
286.11664	0.8
287.05429	0.6
309.11954	1.3
335.47562	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.7
55.01866	1.2
55.05499	1.3
57.03430	11.5
61.02926	1.8
65.03934	0.8
67.05496	1.0
69.03436	3.8
69.07087	0.7
71.04987	76.7
71.32462	1.1
72.05325	1.4
73.02920	4.6
75.04472	5.2
78.44077	0.8
79.05491	2.5
81.03404	1.2
81.07044	1.0
83.04967	8.5
85.02897	100.0
86.03258	1.3
87.04469	2.7
91.05451	1.6
93.07047	1.4
97.02875	6.8
97.06506	0.8
99.04475	1.9
101.06045	0.9
103.05482	1.0
103.07587	0.9
105.07023	46.2
106.07362	1.7
107.08613	1.4
109.02922	1.0
111.04448	5.6
115.03871	1.2
119.08575	7.4
121.06510	2.8
127.03898	4.2
129.05467	45.3
130.05865	1.1
131.08588	2.3
135.04419	1.3
137.05939	1.1
143.08621	1.2
145.04962	4.5
146.08134	2.2
147.06526	24.2
147.08032	5.4
151.03844	1.0
153.01807	4.0
159.06879	0.8
159.08054	3.6
163.06007	1.2
164.09187	6.7
171.08034	1.4
189.09148	3.7
233.15370	2.2
255.08701	1.4
269.17465	2.7
273.09586	0.9
287.05460	1.3
299.05844	1.1
309.11710	1.7
353.06747	0.9
448.16513	2.5
448.23300	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.5
55.03112	2.0
55.05508	7.5
55.42043	2.2
55.49520	2.0
57.07058	2.3
67.05487	12.5
69.07070	9.9
71.33470	3.2
74.20531	2.1
79.05514	9.7
81.07059	19.4
82.72171	1.9
83.04975	3.4
83.08601	5.8
91.05472	9.3
93.07042	18.2
95.04946	7.2
95.08588	22.3
97.06516	4.8
99.04439	11.1
101.05978	2.5
105.07024	17.8
107.08580	26.2
109.06490	2.7
109.10157	14.8
110.10493	2.1
116.25722	2.0
119.08563	23.3
120.19882	1.8
121.10137	25.5
123.04401	11.9
123.08091	4.0
123.11675	5.9
125.09618	2.2
131.08542	4.1
133.10112	28.7
135.08076	9.8
135.11685	16.4
137.09608	4.7
137.13257	2.3
143.08563	4.2
145.10143	12.3
147.11662	27.4
149.09604	7.5
149.13239	7.0
151.11212	5.1
157.10170	5.6
159.11687	13.5
161.09616	3.9
161.13248	10.7
163.11157	10.0
163.14807	6.8
169.10097	2.2
171.11708	4.9
173.13280	7.6
175.11284	9.5
175.14816	5.8
177.12769	9.9
177.84552	1.9
179.00124	2.4
183.11548	2.1
185.13257	5.6
187.14774	10.8
189.12772	12.1
189.16342	7.9
191.10640	2.8
191.14259	2.7
191.17932	6.3
193.12207	4.7
195.13792	5.5
199.14841	4.9
199.50409	2.3
201.16362	7.0
203.14278	4.2
203.17900	4.5
205.15828	22.6
207.13776	15.6
211.14813	2.8
213.16335	5.3
217.15872	2.9
219.17535	3.6
229.15982	2.9
231.17444	4.2
261.18359	2.6
274.46881	2.4
353.28528	3.5
367.29886	3.3
371.29391	9.6
377.28162	2.8
385.30978	7.3
395.29391	24.5
396.29404	4.2
413.30447	100.0
414.30682	9.0
431.31772	14.0
448.33722	5.6
449.29922	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	448.3908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.5
57.07070	3.1
62.02752	1.3
65.13849	1.3
67.05507	3.9
69.07046	2.7
69.32095	1.6
71.08629	1.6
81.07080	1.9
83.63599	1.3
91.05508	1.4
93.07033	3.0
109.10167	3.7
119.08569	1.9
121.06488	7.9
122.07320	1.7
124.15288	1.4
128.80377	1.3
136.08833	14.3
137.09619	14.4
149.02338	1.7
150.02644	1.8
152.08308	2.6
164.08337	34.7
165.09114	100.0
166.09470	3.2
174.88049	1.3
177.08984	1.9
181.08560	2.0
205.12262	8.0
430.38028	74.6
431.38342	8.9
448.39035	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03896	0.2
57.03436	1.6
61.02885	0.5
69.03429	2.2
70.48166	0.3
71.04971	0.3
73.02909	4.2
79.05463	0.2
85.02908	0.8
89.03899	0.3
95.04925	0.1
97.02321	0.2
97.02880	2.3
106.04162	0.1
115.03239	0.1
115.03931	2.0
117.03333	0.3
118.04940	0.2
123.04404	0.3
130.93269	0.1
134.03639	0.1
135.04396	3.3
145.02841	0.7
151.03891	0.3
153.01782	0.3
153.05431	0.3
157.82808	0.1
161.05975	0.1
162.03082	0.2
163.03896	0.2
167.07014	2.1
173.02335	2.5
174.02687	0.1
177.09070	0.3
181.04869	0.6
187.03894	0.2
189.05508	0.1
190.02623	0.6
193.08598	0.2
201.01819	7.0
202.02283	0.2
218.02060	1.6
227.03381	0.2
229.01308	3.4
230.01753	0.2
243.02765	0.3
246.01582	2.2
247.02113	0.2
253.01326	0.2
255.02826	0.2
257.00784	32.2
257.98538	0.3
258.01108	1.8
271.02283	0.6
273.00308	0.2
274.01071	1.4
283.99228	0.2
285.00262	42.4
286.00787	4.4
287.02106	0.2
287.05539	0.6
287.12500	4.5
288.12625	0.1
299.01917	0.4
302.00528	8.2
303.00964	0.6
317.02878	100.0
318.03238	6.7
449.07138	0.8
449.17822	6.2
450.18088	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1074
Annotation	Chrysanthemin
Peak:m/z	Relative Intensity
51.48618	0.2
68.99782	0.5
71.33295	0.3
79.37898	0.2
81.03425	0.3
85.43246	0.2
109.02863	0.2
115.05463	0.4
117.07062	0.2
121.02853	0.6
123.04430	0.5
135.00528	0.7
135.04404	0.3
137.02335	2.6
137.03346	0.3
139.03851	0.3
141.07054	0.2
143.03340	0.2
143.04901	0.3
147.04431	0.5
149.02325	0.5
149.06030	0.2
153.01822	3.4
153.03023	0.3
157.06494	0.4
161.06007	0.8
163.03903	0.4
165.01814	0.5
167.05539	0.2
171.04398	0.4
173.87839	0.2
175.03889	0.4
175.07510	0.2
181.04993	0.2
185.05952	1.0
189.05467	0.5
190.94357	0.2
199.03777	0.2
207.10159	0.5
209.06293	0.2
213.05444	2.7
216.04123	0.3
231.06549	0.9
240.89940	0.2
241.04881	1.2
242.05687	0.3
243.06406	0.2
258.05350	0.2
259.05930	0.3
261.07486	0.4
269.04449	0.3
279.08856	0.3
287.05472	100.0
288.02582	0.4
288.05792	6.4
288.08887	0.4
299.05286	0.4
337.05240	0.3
347.09314	0.4
449.06631	4.8
449.16043	0.4
449.20074	0.2
450.07153	0.5
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	5,7,2',6'-Tetrahydroxyflavone 2'-O-glucoside
Peak:m/z	Relative Intensity
52.70298	0.4
55.00258	0.4
55.05411	0.5
57.03338	0.9
59.04921	0.6
59.05181	0.4
60.25885	0.5
61.02803	4.6
61.03152	1.4
67.05416	0.6
68.99706	0.8
69.03325	1.2
69.03642	0.5
69.36095	2.9
69.36516	0.9
71.04863	1.5
71.05223	0.7
73.02811	0.9
73.10668	0.5
79.05408	0.9
80.48724	0.5
81.03331	0.9
81.03727	0.5
81.06956	1.0
85.02768	6.2
86.09583	0.9
91.03822	2.4
91.05364	1.4
93.06892	1.5
95.08520	0.9
97.02750	3.4
98.22620	0.6
104.03154	0.5
104.10641	0.8
105.06988	1.2
105.74368	0.5
107.04862	0.9
109.02754	1.1
109.10053	0.8
111.00660	0.9
116.74885	0.5
119.08423	0.9
121.02852	3.2
121.10007	0.5
127.03765	1.7
129.05330	1.7
131.08463	1.1
135.04306	0.5
137.02267	0.8
137.05847	1.3
147.04266	0.7
149.09442	1.1
151.03802	0.9
153.01826	5.5
154.26465	0.5
157.06393	0.8
165.01772	1.2
167.06894	0.6
177.08876	0.5
181.04926	1.2
183.02824	1.2
184.07227	1.5
185.05864	0.9
189.49344	0.5
213.05354	1.7
217.15807	0.5
227.08446	0.8
231.06389	1.1
235.16811	1.3
241.04991	0.9
243.08823	0.9
244.09479	1.2
258.05234	1.3
287.05499	100.0
287.12427	17.8
288.05817	7.7
288.12830	1.0
299.05566	0.6
317.02951	1.0
333.45932	0.6
378.15320	0.8
379.16376	0.9
449.18115	17.1
449.30603	0.8
450.18161	1.5
461.56473	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1077
Annotation	Quercetin 3-O-rhamnopyranoside
Peak:m/z	Relative Intensity
51.02366	0.6
52.82722	0.5
53.03937	0.5
55.01854	0.8
56.05997	0.5
57.03432	5.0
59.04977	0.6
61.02871	0.6
68.99814	1.2
69.03435	2.8
69.36349	4.2
69.55448	0.5
71.04990	28.9
72.05335	0.6
75.04478	1.4
79.01849	1.1
81.03422	1.0
81.07080	0.8
83.04979	0.9
85.02905	26.8
87.04453	0.7
91.05470	1.0
93.03378	0.7
93.07042	1.1
95.08574	0.8
97.02889	1.4
105.07003	0.6
109.02815	0.9
111.00819	1.3
112.40676	0.6
121.02891	1.0
121.10126	1.8
123.04443	1.0
125.02361	0.9
127.03977	0.6
129.05449	6.3
135.04387	0.7
137.02333	5.0
143.03383	0.8
145.06458	0.6
149.02304	0.8
151.03888	0.9
153.01823	22.3
153.02879	0.8
154.02168	0.6
161.05988	0.8
163.03940	1.3
165.01811	2.1
173.06036	0.7
177.09032	0.6
183.02940	0.6
183.04402	0.7
185.05820	0.7
201.01845	1.0
201.05479	2.5
224.27292	0.5
229.04970	5.8
257.00879	4.9
257.04349	3.1
274.04745	1.0
285.00275	7.2
285.03574	1.3
286.00772	0.9
287.05530	2.0
302.00500	1.2
303.04971	100.0
304.05304	6.7
315.04855	3.1
316.05667	0.7
317.02899	18.8
318.03418	0.9
345.06027	4.7
369.05997	1.7
395.07544	1.3
405.18784	1.0
413.08789	3.1
449.11798	1.1
449.17807	11.5
449.23834	0.6
449.30795	0.6
450.17819	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62159	2.8
53.03937	3.7
55.01870	6.7
58.93353	3.1
65.03941	12.6
65.04293	2.9
67.05507	9.4
69.03429	5.7
69.07064	6.3
71.24722	3.9
77.86403	2.7
78.65969	2.9
79.05499	8.0
81.07068	8.0
82.04202	3.4
85.02930	4.4
91.05486	28.9
93.03416	4.4
93.07075	8.9
95.04992	6.2
95.08633	6.7
96.45552	2.6
97.06546	6.8
103.05489	6.2
105.03413	5.0
105.07046	12.0
107.04999	3.5
107.08597	9.2
109.06513	7.7
110.03621	4.8
111.04418	6.3
117.07049	3.4
119.04978	15.0
119.08589	9.4
120.05753	3.9
121.06474	3.3
121.10170	6.2
123.04434	7.2
123.08077	7.6
125.06004	8.3
131.08575	3.2
133.02849	21.6
133.06508	9.8
133.10162	8.2
135.04436	8.1
135.08087	3.5
135.11732	4.2
136.05217	5.1
137.05968	20.8
143.08568	4.3
145.10143	8.8
147.04398	17.1
147.11687	3.0
148.05191	9.2
149.02322	4.3
149.06021	6.2
151.07564	30.5
153.05460	7.8
155.08470	3.3
157.10152	7.3
159.11768	3.0
161.05969	3.0
161.13295	4.8
163.03984	4.5
163.07523	3.0
164.04684	5.4
165.05470	31.5
166.06271	10.4
167.07056	10.0
169.10080	3.6
171.06534	3.1
171.11775	4.6
173.13191	4.1
174.86798	2.7
175.03929	8.1
176.04721	4.8
177.05496	9.1
179.07033	21.1
180.07837	14.8
181.04961	100.0
181.06555	5.1
181.08572	3.9
182.05740	14.9
183.11720	3.1
187.14865	4.9
191.03384	6.7
192.04166	44.3
193.04915	7.7
193.96527	2.8
196.07274	2.8
197.08076	23.8
197.13333	3.6
207.06532	61.3
208.07300	62.6
209.07651	5.3
225.07532	24.1
225.09276	2.6
226.08304	14.9
227.06932	3.2
232.67023	2.9
267.08817	6.8
317.28400	3.2
349.71771	3.0
357.09680	39.3
358.09857	3.6
361.12930	4.9
389.12231	24.6
401.65350	3.0
403.29871	5.0
449.30255	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	449.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32680	0.3
69.26594	0.6
69.27005	1.7
71.04967	0.6
79.01836	0.3
79.05447	0.5
85.02865	0.9
88.03408	0.3
88.66431	0.4
91.05445	0.5
92.81763	0.3
93.07007	0.3
93.11445	0.3
105.06992	0.5
108.04980	0.3
119.08536	0.6
129.05400	0.5
133.21516	0.3
135.04373	1.7
137.05922	0.9
149.05927	0.5
151.03941	0.6
153.01805	3.1
153.02901	0.4
163.03825	0.4
178.04980	0.3
181.04881	0.5
185.04175	1.4
191.06927	0.4
198.87671	0.3
206.04320	0.3
269.11331	0.6
287.06018	1.9
287.12506	87.0
288.12851	4.3
317.02856	0.8
328.14990	0.6
406.28900	0.3
449.17801	100.0
450.18152	9.2
451.17929	0.4
473.73947	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.9
63.75054	3.1
67.05515	3.2
69.03464	3.6
70.06026	6.0
70.06374	9.4
71.04978	6.5
79.01839	7.2
79.05493	8.9
81.03420	4.0
83.36235	3.3
85.02913	15.6
93.07053	4.5
95.04983	3.8
97.02915	4.4
103.05471	7.5
105.07038	8.9
107.04964	56.4
115.05459	5.0
120.78865	3.3
121.06485	5.1
123.04433	3.9
125.02400	4.9
127.03945	3.4
129.05502	3.8
131.04942	4.8
133.06494	4.5
135.08057	14.6
136.36542	3.3
137.02330	4.2
137.05971	4.1
139.03955	7.7
143.03395	11.0
147.04437	3.8
147.72472	3.1
153.01828	92.2
153.02905	6.2
163.07550	39.8
167.07036	100.0
180.07756	4.7
187.56226	3.4
195.10182	33.5
201.05414	3.9
203.03448	3.3
207.06502	5.0
211.09712	8.2
213.11218	79.3
213.13153	5.2
214.11586	3.9
233.08075	8.3
256.74155	3.9
261.07620	15.3
279.08759	7.8
287.05521	31.8
287.14890	15.4
299.05560	6.8
341.12338	3.7
349.58807	3.4
449.09067	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	449.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	0.4
55.01877	0.6
57.03445	0.3
57.63013	0.2
61.02927	0.4
66.32707	0.2
67.05494	0.5
69.03435	0.9
69.37773	1.4
71.04984	0.3
73.02930	0.3
78.04731	0.3
79.05494	2.2
81.03430	0.5
81.07070	0.3
83.04973	0.4
85.02896	1.6
86.03259	0.4
91.05483	2.8
93.07064	1.6
95.04995	0.6
95.08578	0.4
95.21372	0.2
97.02905	0.6
97.06561	0.3
103.05507	0.9
104.06258	0.5
105.07029	8.3
106.04160	0.4
106.07403	0.5
107.04980	0.8
107.08597	1.0
108.05788	0.3
109.02896	0.3
109.06516	0.4
115.05466	2.4
116.06230	0.3
117.06264	0.3
117.07024	2.5
119.04940	1.3
119.08571	2.7
120.08897	1.4
121.06506	1.8
122.03669	0.3
123.04436	1.4
123.08073	1.9
124.05212	0.4
128.06244	0.6
129.05478	0.3
131.04964	0.5
131.08577	0.6
132.05670	0.6
133.04948	0.3
133.06490	8.2
135.04448	0.3
135.08086	1.0
136.05240	0.3
137.05994	1.0
137.45744	0.2
143.04895	0.3
143.06015	0.5
143.08575	1.0
144.05751	0.3
145.06473	1.0
145.10153	0.3
147.08105	0.3
149.05959	0.5
149.09630	0.8
151.03931	0.4
151.07533	10.1
151.08751	0.5
152.04651	0.3
153.01871	0.3
153.05489	0.3
160.05177	0.3
161.05972	8.1
161.09691	0.3
162.06764	2.5
163.07533	0.7
167.07036	13.9
168.07385	0.5
171.08041	1.0
175.07561	2.1
177.09105	100.0
178.06224	0.6
178.07994	0.5
178.09450	3.9
179.06985	0.4
189.09113	0.3
191.07010	0.2
193.08600	41.9
194.08913	1.8
195.10159	5.5
203.10689	1.7
217.01772	0.2
217.15883	0.3
221.11725	13.0
222.12148	0.6
235.07552	0.3
235.09727	0.7
235.17015	0.6
257.00742	0.8
264.58926	0.3
267.12277	7.9
268.12610	0.6
269.11035	0.4
285.00378	1.1
285.11185	0.8
286.11502	0.9
287.05496	3.6
287.11771	1.5
302.00714	0.3
317.02927	3.0
318.03183	0.3
329.13895	0.5
375.18069	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2534
Annotation	Trichurusin F
Peak:m/z	Relative Intensity
50.83002	1.3
53.03944	2.3
55.01873	2.7
55.05505	5.6
57.03430	2.7
57.07073	20.3
59.04992	4.3
67.05498	18.8
69.03421	6.3
69.07056	9.7
70.46715	4.6
70.78563	1.5
71.04995	11.1
71.08632	3.0
73.69080	1.3
77.59635	1.5
79.05482	10.2
81.07059	19.4
83.04975	4.1
83.08630	7.7
85.06535	11.9
86.53865	1.5
87.04482	1.8
91.05483	8.0
93.07050	13.8
95.04973	6.9
95.08598	17.0
97.02944	1.4
97.06533	8.0
97.10152	4.2
99.04442	5.8
104.07102	3.7
105.07016	8.5
107.04936	2.3
107.08568	11.3
109.06504	5.0
109.10157	14.2
110.79276	1.2
111.04411	4.2
111.08092	3.7
113.05991	2.0
113.09614	3.9
115.69797	1.5
117.07018	2.0
119.08601	9.4
121.06501	3.1
121.10152	11.8
123.04404	2.3
123.08035	5.6
123.11681	6.5
127.07639	1.4
127.11192	20.7
131.08543	5.8
133.10109	11.5
135.08026	4.2
135.11685	5.8
137.05975	3.9
137.09625	22.1
139.11160	6.0
140.56294	1.4
142.07793	1.4
143.08560	2.3
145.10129	4.5
146.07254	1.6
147.08040	3.1
147.11697	3.8
149.09605	6.6
149.13226	3.5
150.10356	2.2
151.07579	2.5
151.11179	14.5
153.05457	2.1
153.09085	3.4
155.10680	7.1
157.10130	2.7
158.10895	1.3
159.10176	3.2
159.11623	3.0
161.09605	12.7
161.13242	4.0
163.07565	1.7
163.11197	3.4
165.09099	4.9
165.12706	3.0
167.10649	6.3
173.09619	1.8
173.10229	2.0
173.11746	22.4
173.13130	2.2
175.11176	5.3
175.14868	1.5
177.09081	4.0
179.07211	2.1
179.10652	24.8
179.14299	2.2
183.10109	3.2
185.13264	1.5
187.14926	1.4
189.12749	4.0
191.14345	1.9
191.53197	1.5
193.08569	4.3
193.12248	5.5
195.10112	2.6
203.14299	4.4
207.10161	4.7
207.13788	6.8
209.15373	2.2
211.09691	5.4
219.13792	4.4
221.11737	2.0
221.15344	20.4
231.13696	1.8
235.13248	10.8
235.16879	3.1
237.14890	11.6
239.80119	1.5
249.14862	100.0
250.15187	6.8
251.16377	2.2
259.13110	1.6
263.16376	17.9
267.15894	4.5
272.26688	1.4
275.12726	5.3
277.14392	1.8
301.17865	1.9
318.43457	1.6
329.17392	3.5
347.18674	9.6
348.18600	1.3
365.19537	25.3
366.19620	2.0
379.20966	1.8
413.23029	4.3
431.20142	1.4
431.24133	16.9
431.30826	3.4
432.24619	1.6
449.25272	26.6
449.31345	4.5
450.25534	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	449.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18587	1.8
53.03936	3.3
55.01871	3.7
55.05507	14.9
57.03437	4.1
57.07080	35.1
59.05002	5.5
65.03939	2.1
67.05503	22.3
69.03423	9.9
69.07078	15.9
71.04988	20.7
71.08608	2.1
77.38506	1.9
79.05521	13.0
81.03413	2.2
81.07063	31.4
83.04984	8.1
83.08610	7.5
85.02922	2.0
85.06545	19.4
87.04488	5.1
89.03947	2.3
91.05450	12.0
93.07059	20.4
93.50512	1.6
95.04971	10.4
95.08607	29.1
96.08939	3.3
97.06524	16.4
97.10158	3.8
99.04436	6.6
99.08112	2.5
103.05513	2.0
105.07034	19.0
107.04965	3.8
107.08603	16.8
109.05835	1.6
109.06519	8.5
109.10154	20.8
111.04431	7.2
111.08102	9.2
113.06011	3.5
113.09646	5.9
114.31611	1.8
117.03397	5.8
117.07035	3.8
119.08585	17.1
121.06514	6.6
121.10139	19.8
123.04405	2.9
123.08073	12.3
123.11730	10.1
125.05962	2.4
125.09641	3.3
127.07505	3.2
127.11189	18.6
131.08577	4.6
133.10130	14.8
135.08052	7.1
135.11687	12.1
137.05992	5.4
137.09619	33.3
137.13226	2.6
139.03908	2.1
139.07582	2.2
139.11166	10.9
141.09122	4.6
143.08554	2.3
145.02878	12.3
145.10147	9.4
147.08003	4.9
147.11685	7.7
149.05965	5.3
149.09615	7.3
149.13232	2.6
150.10394	3.0
151.07530	7.1
151.11180	27.1
153.05452	3.0
153.09090	4.3
155.10637	10.0
157.10155	3.2
159.08090	2.2
159.10165	6.0
159.11691	6.6
161.09634	19.9
161.13293	6.6
163.07591	3.6
163.11130	4.3
165.09111	7.0
165.12750	7.7
167.10690	10.8
172.95267	3.3
173.09567	2.6
173.10428	2.0
173.11732	14.8
173.13152	3.2
175.11189	5.7
175.14761	4.1
177.05487	21.9
177.09102	9.5
177.12737	3.3
179.10669	28.0
179.14346	2.4
181.12195	1.9
183.10181	3.1
185.32451	1.9
187.07533	3.0
187.11232	2.2
189.09120	3.8
189.12717	7.1
191.10693	3.5
191.14259	2.1
192.07721	1.8
193.08580	4.1
193.12300	15.6
195.10170	3.7
195.13805	3.0
199.09636	2.3
203.14349	5.5
207.10194	7.0
207.13748	10.4
209.15356	4.3
211.09586	3.1
215.18034	2.1
219.13846	8.3
221.11797	4.2
221.15370	15.2
231.13853	2.4
233.11765	2.3
235.13327	15.7
235.16956	8.4
237.14845	20.8
249.14859	93.2
250.15292	5.1
251.16452	5.0
261.14719	2.4
261.22217	2.4
263.12555	2.9
263.13309	2.9
263.16452	32.3
264.16745	2.9
267.15842	4.7
273.14868	4.0
275.12762	7.5
275.16629	3.1
275.19965	2.9
277.14148	2.9
287.16464	4.1
288.12341	1.9
289.14276	2.2
291.15994	3.1
301.17841	2.1
305.14102	4.0
307.59393	1.8
311.44089	1.9
319.19299	2.6
329.17490	7.3
343.18887	3.8
347.18515	20.0
361.20044	7.1
365.19580	87.2
366.19855	7.6
379.21097	19.8
397.31015	4.1
413.23166	6.7
415.31860	4.0
431.24295	21.4
431.30298	3.4
432.24359	2.9
433.32761	2.3
448.27222	2.3
449.25241	100.0
449.31863	22.1
450.25565	12.7
450.31259	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	449.2536
Annotation	Trichurusin F
Peak:m/z	Relative Intensity
53.03940	1.9
55.01873	4.0
55.05511	5.8
57.03429	4.7
57.07079	19.3
59.04989	3.4
65.03928	1.3
67.05507	19.4
69.03426	7.2
69.07071	8.9
69.35067	5.9
71.04999	10.1
71.08630	1.3
79.05494	8.5
81.03410	1.5
81.07061	15.9
83.04977	4.6
83.08624	5.8
85.02895	1.5
85.06543	12.2
87.04456	3.4
91.05480	6.8
93.07048	12.7
95.04970	6.3
95.08609	15.5
97.06535	10.4
97.10177	3.9
98.98473	2.0
99.04457	6.5
99.08109	1.5
105.07030	9.8
106.21761	1.1
107.04957	2.4
107.08600	10.7
109.06524	4.3
109.10158	11.5
111.04437	4.8
111.08075	5.6
113.06011	2.5
113.09647	5.1
117.07018	3.3
119.08589	10.0
121.06516	3.5
121.10149	13.4
123.04430	2.8
123.08044	5.4
123.11726	4.5
125.05982	1.3
125.09657	3.4
127.07555	2.1
127.11201	19.5
131.08557	4.7
133.06493	1.3
133.10129	12.6
135.04398	1.3
135.08109	4.6
135.11703	7.0
136.99944	1.7
137.06009	4.1
137.09619	25.4
137.13280	1.3
139.03917	1.7
139.07539	1.4
139.11157	8.2
141.09152	2.3
143.08594	1.6
145.06444	1.0
145.10091	5.1
147.08054	2.7
147.11710	3.7
149.06033	1.2
149.09630	8.0
149.13206	1.6
150.10393	1.9
151.07555	2.8
151.11172	17.4
153.09120	5.3
153.12776	1.2
155.01123	1.8
155.10680	9.1
157.10109	3.7
159.10201	3.5
159.11699	3.2
161.09625	15.6
161.13235	4.6
162.10100	1.2
163.07567	1.5
163.11208	3.1
165.09146	4.6
165.12764	3.7
167.10663	6.4
169.10124	1.1
171.11708	1.8
173.09569	2.0
173.10233	1.3
173.11774	21.5
173.13271	3.3
175.11169	4.0
175.14803	1.4
177.09140	4.9
177.12758	1.8
179.07083	1.0
179.10684	25.8
183.10199	3.2
185.09709	1.4
185.13274	3.1
187.11217	1.1
189.09123	2.7
189.12798	2.4
191.10669	2.3
191.14345	2.3
193.08630	1.5
193.12279	7.3
195.10170	2.3
197.08090	1.1
203.14342	3.8
205.12280	2.4
207.10194	3.3
207.13800	8.0
209.15367	2.6
211.09607	1.8
217.12350	1.7
217.16017	1.3
219.13786	5.7
221.11832	1.2
221.15363	19.6
231.13855	2.1
235.13321	13.4
235.16968	4.4
237.14854	11.1
243.13803	1.2
245.15434	1.4
249.14874	100.0
250.15230	7.5
251.16524	3.2
259.13309	1.7
263.13345	1.7
263.16449	26.2
264.16879	1.9
267.15906	3.8
273.14822	2.8
275.12805	5.1
275.16397	1.4
277.14371	1.4
280.18835	1.1
289.14478	1.3
305.13791	1.3
308.18436	2.7
313.27481	1.5
329.17435	4.3
334.72876	1.2
343.19177	1.5
347.18546	10.7
361.20297	2.2
365.19629	32.8
366.19693	2.1
379.21191	5.9
413.23224	5.9
421.27127	1.5
431.24280	15.8
431.31348	2.7
432.24591	2.2
449.25354	58.3
449.32138	8.7
450.25677	6.6
450.31937	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	449.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
53.70987	0.5
55.01869	1.1
55.05514	6.0
57.03457	0.8
57.07075	20.7
59.04991	1.8
65.03938	0.7
67.05506	9.0
69.03428	2.4
69.07074	6.1
70.06573	0.7
71.04980	2.0
79.05486	7.3
81.07056	10.7
83.04977	3.6
83.08619	2.7
85.06541	14.6
87.04444	2.6
88.07632	0.9
91.05468	5.3
93.07048	10.7
94.07342	0.6
95.04954	2.4
95.08598	8.8
97.02892	0.6
97.06536	10.5
97.10158	2.2
99.04437	0.9
102.09240	0.7
103.05476	2.1
105.07020	7.3
106.07352	0.7
107.04939	1.8
107.08598	9.8
109.06510	2.4
109.10156	5.0
111.04424	2.5
111.08070	4.1
113.06003	1.1
117.07037	1.8
119.08577	7.2
121.06454	2.9
121.10136	15.7
122.10542	0.8
123.08057	2.5
123.11692	5.1
125.05997	1.7
125.09632	3.6
129.07010	1.3
131.08574	3.7
133.06512	0.8
133.10130	6.0
135.08023	3.4
135.11717	6.8
137.05978	2.9
137.09613	7.6
137.13315	0.8
139.03896	1.7
139.07538	1.9
139.10170	1.1
139.11177	12.1
143.08531	1.8
145.06454	0.9
145.10101	5.9
147.08052	1.1
147.11665	3.0
149.02347	4.7
149.09599	6.4
149.13260	3.0
150.10408	3.5
151.07520	2.4
151.11169	2.6
153.01791	1.1
153.05457	0.6
153.09106	4.5
153.12764	2.1
155.08548	0.8
155.10681	1.7
157.10106	1.4
158.10873	0.8
159.11710	3.2
161.09612	1.1
161.13263	1.3
163.07523	1.0
163.11153	4.8
163.14891	1.6
165.09148	2.7
165.12753	2.5
167.10667	9.2
169.10153	0.8
171.10162	6.9
171.11707	1.7
173.09624	2.5
173.13214	3.5
175.07497	1.8
175.11084	0.7
175.14854	1.2
177.09134	0.9
177.12709	0.8
179.10715	1.3
181.10034	0.8
181.12236	2.0
183.10204	1.2
183.11714	1.0
185.11691	0.8
185.13272	1.0
187.14827	2.1
189.11244	1.1
189.16344	0.8
191.10675	3.3
191.14331	4.6
191.17961	0.8
193.04971	4.8
193.08636	3.8
193.12213	1.1
195.10216	2.2
195.11832	0.7
195.13759	1.2
197.13214	0.8
199.14719	0.8
201.16321	0.8
203.10695	0.9
205.15886	0.8
206.12535	1.0
209.13353	1.1
209.15356	8.9
211.09633	8.8
213.12883	0.7
215.14249	0.7
219.13766	2.6
221.11717	0.8
221.15358	0.7
223.14937	0.7
223.16916	1.7
225.16463	0.6
229.15981	0.7
231.13828	0.7
233.15356	1.1
235.13228	4.3
237.14842	56.9
238.15179	2.2
239.50308	0.7
249.14847	2.7
251.16409	20.5
252.16737	0.8
261.14807	5.2
275.20068	1.1
279.15900	100.0
280.16251	6.2
284.29510	2.4
347.18509	9.1
348.19043	0.8
365.19571	13.2
366.19675	1.0
403.29871	2.3
413.23389	1.4
421.30832	0.9
431.24170	5.7
431.31006	3.2
432.31955	1.0
449.20889	2.1
449.29620	10.8
450.32281	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44699	0.5
53.03938	1.8
55.05505	1.5
55.60602	0.4
57.03429	0.7
57.07081	0.9
59.05025	0.4
64.55369	0.4
66.79301	0.5
67.05492	3.9
69.03414	1.6
69.07063	1.5
69.61328	2.5
71.04988	1.7
73.34715	0.4
79.05492	2.8
81.07052	3.4
83.01340	5.1
83.04972	1.6
83.08630	0.7
84.01655	0.5
85.06538	2.2
91.05479	2.7
93.07052	3.3
95.04960	4.2
95.08621	2.1
97.06541	2.3
97.10205	0.8
98.22668	0.7
99.04482	0.6
103.05461	1.3
105.03397	22.3
105.04499	1.0
105.07024	3.3
107.04944	1.7
107.08593	3.2
109.06509	3.7
109.10162	1.2
111.08087	0.9
113.06010	14.4
114.06340	2.5
115.05447	1.0
115.06577	0.4
117.07012	1.2
119.08591	3.7
120.08850	0.6
121.06504	1.1
121.10137	4.3
123.04446	0.9
123.08062	3.7
123.11706	0.9
124.05183	0.4
125.09593	1.7
126.09892	0.6
127.07542	0.8
127.10110	0.5
128.06212	1.3
128.25237	0.5
129.07007	0.7
131.08568	0.9
132.05699	0.5
133.06500	3.0
133.10130	2.4
135.08047	0.9
135.11690	1.3
137.05977	10.6
137.09607	1.4
138.06306	1.7
139.06508	0.8
139.07545	0.6
139.11163	4.4
140.11502	1.5
141.05453	1.0
143.08572	0.9
145.10100	0.8
147.08026	3.1
147.11615	0.5
148.08412	0.7
149.02373	0.6
149.05975	1.9
149.09624	1.4
149.13251	0.6
150.06776	1.0
150.10001	0.5
151.07547	4.4
151.11133	1.1
152.07845	0.7
155.07034	1.9
157.06451	0.7
159.11687	1.2
160.05228	0.9
161.05989	5.3
161.09659	2.9
163.07523	2.3
165.05447	0.5
165.09122	20.0
166.09450	5.0
167.09552	1.2
167.10725	1.5
168.10977	0.7
169.08575	1.2
171.08101	0.8
171.11789	0.7
173.13246	0.5
175.06142	0.8
175.07559	10.4
176.07907	1.8
177.09221	1.0
178.06305	2.2
178.09903	5.2
179.06749	0.7
179.10620	1.4
187.14876	0.6
189.09119	11.6
190.09386	0.5
193.08604	51.7
193.16013	1.0
194.08946	11.3
195.09151	6.5
203.95403	0.5
211.09653	100.0
212.09990	19.6
212.12042	0.6
213.10170	13.8
221.11707	0.8
221.15347	0.8
237.14854	1.4
238.15193	1.9
239.12756	0.8
239.16478	9.1
255.55066	0.6
265.14084	0.8
299.12613	0.7
327.15833	0.9
332.49127	0.5
355.15097	0.6
431.23816	16.5
432.24246	1.1
449.30450	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3262
Annotation	Xestobergsterol A
Peak:m/z	Relative Intensity
51.02402	0.8
53.03952	4.4
53.39393	0.8
55.01871	7.4
55.05511	77.7
57.03431	4.4
57.07079	4.3
59.05010	2.3
65.03948	3.4
67.05504	86.0
68.05853	1.9
69.03432	7.0
69.07068	43.0
69.67475	3.0
69.67887	2.0
71.04996	5.8
77.03943	1.5
79.05491	84.1
80.05853	1.7
81.03426	3.0
81.07056	94.9
82.07393	1.9
83.04975	7.8
83.08620	39.7
85.02908	0.8
85.06544	5.7
91.05479	54.7
93.07044	72.6
94.07385	2.4
95.04974	10.7
95.08605	56.7
95.21577	0.8
96.08907	1.0
97.06532	12.2
97.10167	51.3
98.10538	1.7
98.87251	0.8
99.08112	3.8
101.06074	0.8
103.05515	1.2
104.80947	0.8
105.04533	2.4
105.07027	40.5
106.07345	2.0
107.04954	4.4
107.08591	51.4
108.08959	2.7
109.06516	13.1
109.10159	31.5
109.10881	1.8
111.08092	8.7
111.11763	0.8
113.09694	1.3
115.05495	2.2
117.07017	18.8
119.08578	31.5
121.06490	7.6
121.10144	36.8
122.10475	1.3
123.04499	1.3
123.08065	7.8
123.11707	6.7
125.06041	1.5
125.09632	43.6
126.10011	1.5
128.06239	2.3
129.07004	7.9
130.07814	1.7
131.04970	1.1
131.08566	29.8
133.06494	4.5
133.10127	26.5
135.08041	15.4
135.11694	23.4
137.06001	2.6
137.09621	5.4
137.13304	2.6
139.07588	1.2
139.11182	6.1
141.07063	2.9
143.08577	7.8
143.10712	2.2
144.09311	0.9
145.06543	2.1
145.10120	33.1
145.11191	1.8
146.10544	0.9
147.08110	3.1
147.11691	21.3
149.09633	21.2
149.13263	9.3
150.10063	1.0
151.07585	2.4
151.11224	3.8
151.14902	1.2
153.09103	41.7
153.12726	1.8
154.09505	2.4
155.08582	3.4
155.10669	1.1
157.10146	7.2
159.08083	1.6
159.11691	25.8
160.12183	1.2
161.09663	3.2
161.13246	15.4
161.14505	1.0
163.07692	1.3
163.11188	10.9
163.14804	5.4
165.09207	1.8
165.12808	2.8
167.10776	3.5
167.14362	0.9
169.10185	2.5
171.10223	3.4
171.11768	9.1
173.09702	1.3
173.11789	4.7
173.13326	13.1
175.07664	1.0
175.11267	3.4
175.14824	7.6
177.12743	8.1
177.16431	1.7
179.10713	1.8
179.14397	1.8
181.10214	2.3
183.11751	3.0
185.09775	1.1
185.13280	6.6
187.11157	1.6
187.14760	7.2
189.11211	38.0
189.16411	2.1
190.11586	1.0
191.14394	2.0
193.08691	1.6
193.12228	1.2
194.89072	0.9
197.13301	4.0
199.11200	1.2
199.14929	3.3
201.12749	1.3
201.16504	2.9
203.12810	1.4
205.12415	1.1
205.15942	1.3
207.13857	1.3
207.17358	0.9
208.17830	1.2
209.13422	1.6
211.09572	4.5
211.14905	0.9
213.12825	1.5
213.16490	2.0
215.18028	2.4
217.10297	0.8
219.13779	1.3
221.15521	1.4
223.14960	1.8
227.17885	1.3
229.16057	1.4
229.19548	1.3
233.15500	1.5
239.18019	2.4
241.15904	1.1
241.19624	4.5
243.21077	11.1
243.23073	0.9
244.21460	1.1
247.20544	1.2
249.18451	0.9
253.19554	1.2
255.17618	1.6
257.19016	4.0
259.20682	2.1
261.18732	3.0
261.22263	20.7
262.22610	2.0
263.20187	1.3
265.21738	1.1
269.18991	1.1
275.20093	9.9
277.21780	2.3
279.19870	2.4
279.23175	23.6
280.23621	1.0
283.20584	1.0
287.20132	4.0
289.21692	1.6
291.19968	1.1
293.21136	6.2
301.21704	1.8
303.23291	0.9
305.21011	4.4
315.23340	1.5
319.22821	3.3
323.22244	1.8
333.24316	4.9
347.26001	1.4
357.24637	1.3
367.30121	1.2
377.28662	2.5
377.85446	0.9
383.57953	1.0
385.30978	4.2
395.29492	12.8
396.29745	2.1
403.32162	3.7
413.30484	42.4
414.31094	4.2
431.31586	100.0
432.32080	11.8
449.32761	52.4
450.33099	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	450.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07370	0.7
53.03929	1.2
69.03425	1.5
70.90916	1.4
79.05480	1.0
81.03418	0.9
82.30011	0.6
85.02895	6.5
91.05483	5.1
93.07039	1.0
97.02885	1.4
103.05445	2.1
105.07024	1.9
107.04941	11.1
117.07043	1.1
119.04957	2.4
121.06506	19.0
123.04396	0.8
127.03899	1.7
129.06981	2.9
131.04915	2.1
131.08543	2.1
133.06441	1.4
135.08038	3.0
137.05978	5.4
139.03926	0.8
140.06433	0.7
145.04924	1.1
146.07245	2.8
147.08006	1.1
148.05168	3.3
149.05952	1.2
149.09628	0.7
153.01822	1.2
154.02182	0.8
157.06549	1.4
161.05969	74.8
161.09608	23.1
161.15024	0.9
162.06310	4.0
163.07524	13.1
164.08237	1.2
174.06685	1.8
179.07024	18.4
181.08578	2.1
183.10146	8.6
183.78876	0.6
189.09099	39.5
190.09406	2.9
207.10152	100.0
208.10478	4.0
225.11266	1.8
271.11761	18.1
272.11972	1.5
287.05508	0.9
288.06149	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
61.26878	1.2
69.29456	8.3
77.64291	1.2
84.53091	1.3
91.05464	2.0
97.02940	1.3
121.02866	2.7
123.04451	4.7
129.06975	5.8
130.07300	1.9
135.04457	3.4
137.02338	4.4
137.05940	1.8
139.03900	4.0
145.06433	1.6
147.04408	2.9
147.08049	11.7
149.05881	1.4
151.07516	4.9
153.01816	5.9
154.02133	1.6
157.06490	3.8
159.55385	1.7
161.05986	7.4
161.09581	3.7
163.03915	1.8
163.07561	4.2
172.96445	1.4
175.07596	1.7
175.92519	1.4
177.20351	1.4
179.06958	9.7
186.06316	1.8
189.05467	4.7
189.09053	8.6
207.10170	25.2
213.05307	1.6
217.08566	2.6
223.09598	12.5
225.11214	15.2
235.09598	2.4
253.10672	4.9
268.46786	1.4
271.11557	1.7
273.03970	1.3
287.05469	45.8
288.05811	100.0
289.05743	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	450.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16508	0.5
53.03942	0.9
55.01863	1.9
57.03429	3.7
59.04990	0.6
61.02922	5.5
65.03941	1.6
69.03068	1.0
69.03427	10.1
71.04168	0.6
71.05000	1.0
73.02913	3.2
79.40169	0.6
81.03419	4.1
83.01344	0.5
85.02902	63.2
86.03218	1.0
87.04467	1.1
91.03951	3.3
91.05479	100.0
92.05802	2.3
97.02888	32.0
98.03237	0.5
99.04449	2.8
103.03935	0.9
105.07040	1.1
109.02863	4.6
115.03931	3.6
117.07018	1.5
127.03918	15.8
128.06166	0.6
129.07001	1.1
133.06462	1.1
143.03410	0.6
143.08623	1.0
144.06483	0.6
145.04948	24.9
146.05278	1.0
157.06480	0.9
161.04478	2.6
161.79655	0.6
163.06020	12.9
164.06346	0.6
171.08058	1.6
172.61945	0.6
175.07481	1.2
188.36870	0.5
217.08513	2.5
235.09656	1.8
253.10629	2.4
264.14838	0.6
274.58380	0.6
289.80365	0.5
292.71234	0.4
325.11142	0.7
374.99268	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	1.1
55.01874	1.7
57.03437	4.2
61.02933	4.8
65.03940	2.0
67.75889	0.4
69.03431	11.9
69.03802	0.7
69.60457	2.7
71.01367	0.9
71.04990	1.3
73.02912	4.0
74.02832	0.4
74.03266	0.5
81.03433	4.0
85.02905	63.9
86.03254	0.7
87.04455	0.9
89.06039	0.7
91.03983	3.7
91.05481	100.0
92.05801	2.4
97.02893	32.3
98.03165	0.5
98.23304	0.6
99.04461	2.0
103.03943	1.0
105.07057	0.5
109.02871	4.4
111.04469	0.7
115.03921	4.1
115.05423	0.4
117.07001	1.4
121.06500	1.7
124.07638	0.5
124.86799	0.4
127.03922	13.6
128.06233	0.5
129.07002	1.4
133.04980	0.6
133.06490	1.5
137.05943	0.5
143.08557	0.8
145.04959	23.7
145.06416	1.3
153.01869	0.6
153.06934	1.0
157.06505	1.0
161.04424	2.3
163.06033	12.8
171.08026	1.4
173.05978	0.5
175.07576	1.3
180.08743	0.6
181.18242	0.4
183.61395	0.5
187.07506	0.7
190.75256	0.5
217.08583	2.6
235.09601	1.5
251.96410	0.5
253.10638	1.5
279.69547	0.5
288.05872	0.6
304.17426	0.5
307.60831	0.5
318.32715	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.4
55.01876	3.8
57.03433	4.3
61.02913	2.1
69.03429	8.6
70.06581	3.1
71.04986	5.8
71.32592	2.5
73.02910	2.5
79.05487	2.2
81.03413	11.4
85.02898	28.8
91.05486	8.1
95.04964	3.0
96.78990	1.7
97.02876	12.7
99.04431	4.0
103.05427	4.7
105.07031	8.0
107.04948	18.1
109.02882	12.1
109.06494	2.6
111.04419	2.0
115.05469	5.6
117.07039	2.5
119.04893	1.7
121.06512	21.9
123.04432	5.3
124.89433	1.5
127.03910	17.2
128.06276	2.2
129.05455	2.9
129.07018	5.3
131.04912	4.7
133.06506	8.1
135.04401	3.2
135.08029	4.4
137.02327	3.1
137.05966	33.1
139.03870	4.6
143.03407	2.5
145.04951	8.1
145.06444	3.3
146.07234	5.1
147.04361	4.1
147.06578	2.0
147.08035	3.3
148.05188	3.9
149.05977	3.5
151.03926	2.8
153.01848	17.8
153.05470	6.9
157.06464	2.7
159.08049	2.6
161.05972	92.0
161.09599	23.7
162.06271	4.6
163.03912	2.0
163.06143	2.6
163.07529	18.9
165.05434	2.2
165.09143	4.7
167.07079	3.6
174.06764	3.2
175.07594	8.2
177.05524	2.5
177.09055	2.7
179.07025	21.0
181.05031	3.1
181.08537	2.0
183.10155	10.5
187.07664	3.7
189.05540	3.1
189.09087	45.4
193.08574	2.9
205.08504	2.0
207.10155	100.0
208.10562	2.8
217.08623	3.2
221.08058	2.1
221.83441	1.6
225.11201	2.7
227.61855	2.0
235.09634	23.1
245.07881	2.1
253.10725	9.6
261.11557	2.0
271.11755	21.2
273.11160	2.0
281.10172	6.0
288.05643	1.9
289.06897	4.1
333.13214	3.3
361.12790	15.6
379.14001	8.6
397.14828	4.9
451.12027	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	450.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81543	0.6
55.01857	2.2
61.02932	0.6
69.03416	1.0
69.41294	1.1
69.41702	3.7
72.02002	0.6
73.02905	1.6
73.94909	0.6
79.05484	3.4
81.03391	0.9
81.07025	0.7
83.04974	0.9
85.02895	4.3
91.05473	2.4
93.07004	0.7
97.02881	1.7
103.05472	3.1
104.06240	0.7
105.07028	38.2
107.04944	1.9
109.02846	1.0
115.03844	0.7
115.05452	5.4
117.07029	0.7
118.04153	2.3
119.08578	0.6
121.02886	0.9
121.06517	4.3
121.10153	0.6
123.04408	1.2
127.03908	1.6
131.04950	1.1
132.05679	1.8
133.06485	36.5
134.06770	0.7
137.05983	2.9
140.84937	0.5
143.04968	1.1
143.06024	3.1
147.08040	0.7
149.05986	1.3
153.01842	0.6
153.05438	0.6
160.05167	0.7
161.05975	43.5
162.06319	1.5
167.07027	13.0
175.07504	1.2
178.06255	1.2
181.05072	0.5
181.08612	0.8
193.08598	100.0
194.08894	4.5
200.57161	0.5
205.08611	0.6
211.09721	0.7
253.10703	18.9
271.11816	4.9
319.04453	4.1
347.14542	0.7
451.12045	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.5
54.05712	0.4
55.01878	0.7
57.03441	0.3
58.12537	0.4
65.03948	0.7
67.05489	0.8
69.03433	0.5
69.10818	2.0
69.11252	1.4
69.68321	0.3
70.02953	4.2
70.06548	0.3
71.01351	0.4
71.79858	0.4
77.35886	0.3
79.05489	1.6
80.02065	0.3
81.03408	0.4
81.07059	1.2
83.05020	0.3
85.02957	0.5
88.03989	54.8
89.04324	0.8
91.05480	3.4
93.07063	0.6
94.04179	2.6
95.04972	0.9
103.05468	1.5
105.06994	1.9
107.04934	2.2
107.08646	0.4
109.02886	0.5
109.06493	1.0
111.04417	0.4
115.05460	1.0
117.07032	0.8
119.04921	0.9
119.08583	0.4
121.02840	0.4
121.06502	1.0
122.03647	7.0
123.04446	1.8
123.08051	0.4
128.06247	0.9
129.07030	2.7
131.04893	3.0
131.08569	1.4
131.15855	0.3
133.02827	0.8
133.06485	3.6
135.04427	1.1
135.08070	1.1
137.05969	100.0
138.06293	3.0
139.03867	0.5
139.07602	0.4
141.06956	0.9
143.04948	0.5
143.08470	0.6
145.06499	1.9
147.04405	1.0
147.08041	0.7
148.05199	0.4
149.05981	1.4
151.03903	1.1
151.07526	4.1
153.01814	2.7
153.05490	0.8
154.02167	1.3
155.01634	0.4
155.07048	0.5
157.05350	0.6
157.06445	2.4
159.08049	1.7
160.05203	0.8
161.05968	10.1
161.09621	0.9
162.06712	0.4
163.03976	0.5
163.07523	3.6
165.05458	1.4
165.06822	0.4
167.05698	0.6
167.07037	8.3
169.06444	0.5
171.08047	0.9
172.08568	0.4
173.06007	0.4
174.06741	1.7
175.07530	6.0
176.08189	0.4
177.05470	0.7
177.09073	1.0
179.07030	1.8
180.04156	0.5
180.07825	0.9
181.04962	5.5
181.06410	0.4
187.07509	3.3
188.08287	0.8
189.07428	0.6
189.09105	5.7
190.09361	0.4
191.10643	0.6
193.04889	0.8
193.08553	0.4
195.06532	1.6
201.09081	2.2
203.08827	0.7
203.10606	2.9
207.06465	0.9
207.10144	1.2
208.07248	1.9
211.07578	0.4
213.09023	0.8
215.10759	0.8
219.10129	1.7
221.05891	0.4
225.07513	3.6
226.08313	1.1
227.10687	0.8
233.09589	1.2
250.09793	0.6
261.09048	1.2
265.12158	0.8
267.10254	0.5
271.09686	0.4
277.99060	0.4
278.13846	1.8
283.13309	2.3
288.05905	0.5
293.11664	1.4
311.12726	3.9
312.13080	0.6
319.13220	0.4
321.11255	0.5
325.14230	2.1
327.15756	0.5
329.13626	0.6
343.15442	0.5
351.11871	0.7
351.15891	9.0
352.16211	1.1
353.13690	0.7
369.16968	2.0
386.19449	2.0
432.20096	15.4
433.20340	1.2
450.21027	3.3
451.12048	0.6
451.21249	1.4
462.40195	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	10.6
67.05502	23.3
67.91869	10.5
69.07057	15.6
69.42652	31.9
69.43063	31.7
79.05489	23.6
81.07072	19.7
91.05470	13.7
93.07053	26.6
95.04987	20.0
95.08607	20.3
105.07036	30.2
107.04945	33.3
107.08572	25.7
109.10163	11.5
115.64302	10.3
117.07000	14.6
119.08585	28.3
121.06487	12.3
121.10129	21.9
123.04432	17.7
129.07004	9.6
131.08546	16.9
133.10158	16.0
140.53183	11.4
143.08588	15.0
145.10135	32.7
155.07005	14.3
155.08592	11.2
158.07341	18.7
159.11647	11.3
161.13245	11.8
163.07460	12.7
167.07034	100.0
171.11720	9.9
173.09639	45.7
181.04976	18.2
181.08609	21.6
201.09109	81.1
201.16458	11.0
219.10181	14.2
233.11725	38.5
241.25488	10.0
251.12753	55.1
450.16016	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	450.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.4
55.01865	9.6
55.05513	57.4
57.03440	9.1
67.05495	20.7
67.82214	4.9
69.03428	11.1
69.07063	15.9
69.33756	32.1
79.05497	23.5
79.64608	4.6
81.07063	24.0
83.04977	9.2
83.08623	30.4
91.05478	9.0
93.07037	17.5
95.08594	10.2
97.06499	5.0
97.10166	80.6
105.07039	14.4
107.08594	33.2
109.10171	13.7
119.08565	14.1
119.76129	5.2
121.10136	6.7
125.09649	66.0
129.06976	5.5
133.10127	8.5
135.08018	8.8
135.11629	5.9
145.10101	9.4
147.11674	6.3
153.09117	13.6
159.11787	7.3
171.10095	5.9
175.14825	6.0
180.53645	4.8
185.13194	7.9
189.11240	40.8
227.12764	100.0
245.13866	49.3
256.89838	5.1
263.18271	5.4
367.70462	4.7
397.22186	24.3
415.23206	68.3
416.23428	8.8
450.29208	5.6
451.22928	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	450.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.0
53.58210	1.1
55.01858	2.2
55.05506	4.0
57.03438	2.6
61.02905	1.5
65.03951	1.9
67.05504	19.0
69.03439	6.1
69.07057	3.5
69.29047	3.5
69.29467	7.4
71.04989	4.5
71.08633	10.8
73.02934	2.1
79.05506	7.6
81.03413	3.1
81.07058	55.4
82.07365	1.6
83.04986	4.2
85.02905	16.5
85.06540	2.1
91.05473	4.6
93.07037	5.2
95.04970	4.1
95.08639	7.6
97.02894	5.4
97.06543	2.5
99.04449	14.1
99.08092	23.9
105.07030	4.0
107.08591	5.2
109.02905	2.7
109.06532	2.7
109.10155	65.4
110.10496	1.5
113.05979	1.5
117.07022	1.7
117.13010	1.3
119.04976	1.5
119.08585	3.9
121.02885	3.7
121.06498	2.0
121.10147	4.2
123.04410	3.2
125.05977	1.5
125.09623	1.4
127.03950	4.5
131.08629	2.6
133.10153	4.8
135.04454	3.4
135.11655	3.1
136.07594	2.4
137.02299	1.5
137.05977	2.2
137.09618	16.7
137.13243	1.7
139.03903	1.8
143.08554	1.4
145.05008	1.7
145.10141	2.8
147.04430	1.8
147.11676	2.3
149.09619	2.2
151.03883	1.6
151.07559	1.2
151.11171	1.6
153.01846	3.2
155.10666	100.0
156.11037	3.7
159.11649	1.3
160.24333	1.3
161.05894	1.3
161.09579	1.8
164.07045	2.9
167.03401	1.8
167.07056	3.3
175.14737	2.1
177.05266	1.2
181.04976	2.8
182.05415	2.1
217.00539	1.3
235.16980	2.1
253.14438	1.8
253.17941	6.4
271.18982	11.3
285.07669	2.3
286.07932	6.7
287.05441	3.2
287.08466	5.2
288.05774	3.3
288.08810	6.3
304.05316	2.9
317.06479	1.8
318.06903	6.4
397.22223	1.9
450.14774	2.0
451.16266	2.1
452.15790	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98450	8.7
55.01868	9.0
55.05513	52.0
57.03422	10.5
62.25177	7.2
62.47751	6.2
67.05497	25.9
68.26624	7.1
69.03398	9.9
69.07049	13.0
69.33628	25.1
69.34052	31.3
79.05490	22.2
81.07049	20.8
83.04943	6.7
83.08605	24.7
83.25006	6.6
91.05471	11.3
93.07044	26.6
95.08592	21.0
97.10163	82.2
98.22431	7.5
105.07021	16.1
107.08600	34.8
109.10149	23.0
115.05448	7.4
119.08566	19.9
123.08053	12.0
125.09631	65.0
131.08501	8.3
133.10103	12.0
135.08025	13.8
135.11612	7.9
145.10062	14.0
146.46452	6.7
159.11685	9.8
179.42725	8.6
189.11214	40.7
227.12755	100.0
228.13191	9.7
245.13875	49.4
300.16702	9.6
325.84613	7.9
397.22156	28.8
415.23187	78.1
450.30927	7.5
451.23184	15.2
451.32059	12.9
467.37491	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	450.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38577	3.2
53.03953	5.6
55.01884	3.2
55.05508	10.5
55.19405	2.7
59.05000	3.5
59.53564	2.7
60.08153	6.2
61.02917	9.7
65.03953	3.1
67.05506	14.1
69.03421	9.0
69.07061	11.7
71.04995	25.0
71.31886	4.6
73.02913	3.4
79.05502	43.9
81.03424	22.0
81.07065	28.2
83.08649	5.4
85.02913	22.7
85.06538	4.8
85.42759	2.8
86.03255	3.5
86.09703	22.5
91.03971	5.0
91.05482	29.9
93.07047	75.0
95.04971	19.2
95.08627	18.9
97.02901	5.7
97.06548	5.0
99.08093	10.7
103.05520	3.1
104.10749	49.3
105.07029	33.1
107.04959	7.9
107.08598	21.6
109.06541	7.4
109.10168	6.3
117.06995	3.2
119.08581	23.0
121.02867	4.1
121.10130	19.2
123.04404	3.7
123.08075	7.8
125.00018	13.0
125.09661	4.8
127.03889	6.9
127.07536	7.2
129.06990	5.7
131.08574	47.4
133.10139	10.2
137.05997	7.4
137.09622	6.5
141.09111	12.9
143.08540	4.9
143.10652	3.5
145.10120	13.6
147.11696	25.8
149.09633	26.5
151.03929	5.4
153.01886	6.5
153.05508	3.4
159.10201	18.4
163.11186	8.1
165.12776	22.1
167.07104	4.2
167.10675	13.4
173.13272	3.6
181.08917	3.2
184.07358	48.1
186.22250	3.0
199.14844	9.1
205.15880	12.8
217.15855	37.3
221.84482	3.2
235.16940	44.5
236.17166	3.5
244.17128	5.6
253.17926	14.3
287.05524	48.3
287.12506	16.4
288.05844	100.0
288.12747	25.3
289.06262	5.1
357.54349	3.5
449.67749	3.0
450.18021	39.6
450.23056	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	450.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11511	0.7
53.03947	1.1
55.05525	1.0
55.98719	0.8
65.03921	0.9
67.05495	2.0
69.03444	1.4
69.07088	1.2
69.27793	5.8
69.28194	2.0
69.73694	0.8
71.04996	4.0
78.04719	1.2
79.05495	7.7
80.05828	1.1
81.03417	2.1
81.07076	2.6
83.04996	1.6
85.02914	2.7
87.91387	0.7
91.05476	7.3
92.05807	1.5
93.07061	11.1
95.04969	2.4
95.08607	5.0
97.02925	1.2
99.08072	1.3
103.05478	1.4
104.06356	0.8
105.07030	14.5
106.07364	6.4
107.04990	1.4
107.08599	3.5
109.06508	1.5
109.10171	1.2
115.05486	2.7
116.05800	1.9
117.07004	3.9
117.33692	0.8
118.04169	0.9
118.07361	2.1
119.04975	1.4
119.08582	5.5
119.98288	0.8
120.05284	1.0
120.08946	1.8
121.06523	3.1
121.09219	0.7
121.10147	2.8
122.06871	1.2
123.04430	1.9
123.08045	2.8
127.07594	1.0
128.06171	1.4
131.08553	6.2
133.06490	9.8
133.10130	1.1
134.06845	4.7
135.08011	1.5
137.05969	1.8
137.09610	1.0
141.09099	1.5
143.06078	1.4
143.08554	1.0
145.10095	1.6
147.08054	1.4
147.11693	3.7
148.33788	0.8
149.09624	5.7
151.03923	1.1
151.07555	10.6
152.07901	4.9
159.10181	2.1
161.05965	8.7
162.06371	7.1
163.07240	2.5
165.12766	3.5
167.07050	14.9
167.10643	1.1
168.07393	10.8
168.11191	0.8
171.11649	1.0
172.08382	1.2
175.07594	1.1
176.07880	1.7
177.09114	100.0
178.09448	78.4
179.09737	2.7
193.08604	34.9
194.08934	30.3
195.10217	5.8
196.10434	4.6
199.14877	1.1
203.10674	0.9
204.10985	2.5
205.15843	1.6
206.04539	1.9
211.76207	0.9
217.15936	4.2
221.11707	9.3
222.12068	12.0
222.60010	1.2
235.16997	6.8
244.16962	0.9
249.82121	0.9
253.18001	3.0
267.12296	5.7
268.12573	7.0
286.00748	1.0
287.05566	1.1
288.05914	3.0
318.03320	2.6
363.11526	0.8
445.62051	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11828	1.8
55.05514	14.3
57.07063	3.6
59.05003	2.2
65.53809	1.6
67.05509	17.0
69.07074	15.3
69.20002	1.7
69.42335	8.7
69.42741	3.9
70.06577	1.9
71.05000	2.8
79.05487	12.4
81.07055	35.2
83.04990	4.3
83.08618	8.4
85.06544	2.7
91.05485	16.7
93.07050	27.4
95.04971	3.0
95.08025	3.3
95.08608	48.1
96.08950	2.3
97.06522	4.2
97.10184	3.3
99.04469	11.7
101.06019	8.1
105.07028	36.1
107.08595	45.1
109.06495	3.5
109.10152	28.4
111.08092	4.2
115.05432	1.7
117.07040	3.4
119.08575	42.9
121.06548	2.3
121.10149	44.6
123.08086	4.0
123.11722	11.9
129.07060	2.0
131.08556	10.6
133.10130	52.6
134.10428	3.7
135.08095	2.0
135.11700	32.6
137.09662	2.1
137.13300	3.5
139.07393	2.3
141.09099	2.1
143.08569	5.2
143.58791	2.0
145.10114	20.4
147.11685	50.1
148.12067	2.3
149.13252	16.4
157.10143	5.8
159.11682	18.7
161.09607	3.3
161.13231	16.9
163.11165	2.9
163.14806	9.9
169.10023	3.0
171.11694	9.5
173.09767	2.8
173.13260	11.3
175.11220	4.6
175.14839	12.2
177.12727	4.5
177.16356	3.2
181.12251	3.7
185.13246	2.6
187.14807	14.3
189.12776	9.8
189.16373	21.0
191.14268	2.8
191.17946	54.5
193.12180	9.8
195.13857	3.3
197.13242	5.3
199.14879	5.4
201.16400	14.3
203.17947	13.3
205.12318	6.6
207.13803	40.3
207.17406	9.4
208.14252	2.7
209.15350	3.3
213.16463	4.1
215.14316	3.4
215.17937	5.4
217.15814	4.2
217.19443	2.8
221.15450	3.7
227.17915	2.4
229.15903	2.9
233.15384	2.3
235.16994	2.5
241.19467	2.8
247.16792	2.7
261.18445	3.1
263.19913	2.1
275.19986	3.2
287.20114	2.2
300.28876	2.4
301.21631	3.6
344.31573	2.5
372.96030	2.2
379.29898	5.1
397.31015	100.0
398.31363	9.6
405.31421	6.4
415.32092	37.2
416.32422	3.8
450.37405	8.6
451.26422	3.1
451.31912	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	450.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	22.0
57.07069	12.6
67.05499	37.6
69.07057	32.7
70.90411	16.8
71.04987	7.2
71.08621	7.8
79.05466	29.5
81.07061	67.7
83.08603	15.9
85.06541	11.3
91.05472	16.7
93.07044	63.3
95.08593	100.0
97.06557	14.6
97.10159	13.3
99.04494	7.3
101.06053	6.7
103.96193	5.7
105.06997	34.2
107.08581	64.5
109.10157	62.7
109.65792	6.1
112.55812	5.9
115.07534	6.0
117.03322	6.8
117.06938	6.5
119.08585	41.5
121.06530	8.2
121.10146	72.0
123.08066	10.2
123.11720	30.5
125.09625	6.8
125.33897	5.9
129.09091	6.9
131.08542	15.3
133.10120	53.2
135.08058	15.4
135.11691	84.6
137.13286	7.0
143.08511	11.0
145.02872	17.3
145.10109	24.5
146.03233	8.0
147.11646	40.0
149.09628	13.1
149.13249	22.6
151.11165	18.2
153.09058	6.4
154.32956	7.1
157.10127	12.2
159.11671	41.5
161.09612	10.0
161.13255	20.2
163.11163	16.5
163.14862	11.9
165.12657	8.7
167.10637	6.3
171.11700	9.0
173.13307	19.4
175.11115	7.1
177.05440	24.2
177.12741	30.0
178.05840	18.4
179.10666	15.1
181.12215	23.0
187.14832	21.9
189.16360	11.7
191.14301	16.4
195.13817	40.9
201.09018	6.1
201.16388	20.9
207.13792	11.8
207.17471	7.2
209.15256	13.6
213.16492	8.3
215.17886	11.6
219.17310	7.6
223.16948	16.1
229.19429	6.8
237.18362	9.2
251.20006	11.3
253.19167	8.4
379.30032	22.0
397.30923	99.9
398.31335	11.6
415.32074	90.8
433.33276	62.5
451.31418	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	451.0871
Annotation	Myricetin-3-Xyloside
Peak:m/z	Relative Intensity
52.20913	0.3
52.22659	0.3
53.03951	0.4
55.01873	0.7
57.03437	1.5
59.73812	0.4
61.02915	1.3
65.03930	0.6
67.05497	0.6
67.47768	0.4
68.99783	0.8
69.03428	0.8
69.66755	2.1
71.01366	0.5
71.04990	0.7
73.02920	13.6
79.05497	1.0
81.03427	0.6
81.07070	0.7
83.04977	0.5
85.02905	2.0
91.05467	1.0
93.03391	0.5
93.07054	0.6
95.04983	0.9
95.08589	0.4
97.02888	0.8
105.03435	0.4
105.07050	1.1
107.04966	1.0
107.08589	0.5
109.02862	0.5
111.04408	0.4
115.03940	0.7
115.05444	0.4
121.02888	1.1
121.06526	1.1
121.10136	0.4
123.04433	2.2
127.03951	0.9
127.07563	0.4
133.06505	1.0
133.10095	0.5
134.06842	0.6
135.04430	0.8
137.02338	4.5
137.03366	0.6
137.06001	1.5
139.03891	0.5
141.01881	0.4
147.04411	1.2
149.02344	0.6
149.06003	0.5
151.03937	0.8
151.07561	0.5
153.01820	1.6
153.05510	0.5
161.06000	1.5
163.03946	1.2
165.05475	0.6
167.07024	1.8
169.01329	7.4
171.04417	0.7
175.03906	0.9
179.07057	0.7
180.07750	0.4
181.01338	1.3
181.04895	0.8
189.05551	0.7
193.08601	1.8
194.08980	0.5
197.04478	0.6
199.03934	1.3
203.03391	0.7
217.04953	1.5
227.03273	0.5
245.04510	3.7
253.18111	0.5
254.10989	0.5
263.05341	0.4
271.05981	0.4
271.09631	0.9
273.03979	2.1
289.07089	0.7
290.04303	0.4
298.08948	0.4
301.03363	1.2
319.04480	100.0
320.04794	4.9
433.11145	0.5
451.11041	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1232
Annotation	Macrocarposide
Peak:m/z	Relative Intensity
53.03945	4.6
65.03960	3.1
69.19826	24.9
79.05492	5.3
81.03400	5.0
91.05460	6.2
95.04971	7.1
96.04507	3.3
105.04516	3.7
105.07025	3.4
106.02914	5.7
109.02900	4.5
110.03664	8.1
111.04441	7.5
117.07068	2.9
119.04904	2.9
123.04449	8.6
124.03936	29.6
125.05982	40.0
133.02788	3.7
133.06499	5.1
135.04402	58.8
137.02324	2.9
137.05980	16.8
139.03918	6.8
140.04666	3.9
147.04422	4.7
151.03879	3.1
153.01826	3.4
153.05464	79.0
153.06665	5.7
154.06258	19.2
155.07018	5.9
165.05493	10.6
167.07028	10.1
170.05824	4.1
180.07901	6.3
181.04967	31.0
181.06445	4.1
181.08437	2.7
185.08070	100.0
193.05017	2.9
197.08090	6.6
207.06612	3.8
208.07300	18.5
225.07555	14.3
226.08316	9.2
227.09106	3.6
250.07204	5.1
268.08148	25.8
363.66360	3.7
451.15204	4.9
452.16022	3.4
458.83011	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.4
56.55030	2.6
65.03927	4.9
67.05499	5.5
69.03439	3.4
70.69585	3.0
70.69919	5.4
75.04516	2.7
79.05476	9.9
81.07029	5.1
84.74994	3.1
91.05460	15.9
93.07038	7.7
95.04977	11.2
103.05447	6.7
107.04947	24.5
107.08590	3.1
109.06458	3.7
117.07007	5.3
119.04917	4.5
119.08598	3.3
121.06506	19.6
123.04427	26.9
124.05193	3.4
129.06979	21.2
131.04941	8.1
131.08514	5.1
133.02913	3.4
133.06506	3.4
134.03705	3.8
135.04445	7.9
135.22357	2.8
137.02400	5.4
137.05989	30.8
140.04657	17.1
141.07011	3.3
147.04410	57.9
147.08003	14.7
149.05933	14.0
151.03883	6.3
151.07549	8.3
152.04698	3.9
153.05463	11.6
153.06931	2.9
155.01552	3.0
155.07042	25.2
156.55118	3.5
157.06471	9.8
159.08017	3.7
161.06004	14.2
163.03897	4.8
163.07565	8.1
165.05537	4.8
166.06232	5.0
166.12131	3.3
167.03360	3.1
167.07031	100.0
167.08430	6.0
168.07497	5.6
175.07530	65.8
176.08028	3.3
177.07130	3.0
179.07043	3.4
180.07761	6.8
181.08580	46.3
187.07655	3.5
193.06729	4.2
193.08611	14.5
195.08073	6.2
205.08554	9.0
209.06050	3.0
211.07582	6.4
213.05435	4.6
219.08095	3.8
223.07466	3.5
229.10658	3.6
237.05476	4.5
239.06934	5.0
240.07961	3.2
241.08519	3.8
251.07097	6.8
251.10585	6.5
269.08179	6.0
269.11661	3.5
271.09695	7.9
279.10260	4.3
283.13007	3.2
297.11078	7.6
301.10745	17.0
303.12250	8.1
305.44617	3.0
311.09030	3.0
311.12497	4.3
313.10669	4.2
329.13803	30.4
330.14230	3.7
345.13470	6.5
346.14059	12.7
347.14859	84.6
348.15250	6.6
421.18417	6.7
451.19724	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	451.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00314	0.5
53.03936	1.3
55.01861	1.9
55.05502	1.3
57.03428	1.2
62.54932	0.5
65.03938	1.2
67.05514	3.1
68.99799	1.2
69.03428	4.1
69.07076	1.1
69.47747	2.9
74.49380	0.4
75.04473	0.7
77.03926	0.5
79.05492	5.0
81.03423	5.0
81.07052	4.4
82.04224	0.5
83.04987	0.7
83.08635	0.5
85.02904	5.5
85.06548	0.5
91.05473	3.3
93.03410	1.4
93.07045	11.8
94.07382	0.5
95.04984	2.5
95.08606	2.7
95.35312	0.4
97.02888	1.4
97.06535	2.8
99.04424	0.8
103.05441	1.0
105.04511	0.6
105.07037	3.5
107.04932	3.5
107.08605	3.9
109.02880	3.8
109.06488	0.5
109.10162	4.9
110.03650	1.9
111.04465	1.0
111.08112	0.5
114.50963	0.4
115.05473	0.8
117.06984	1.1
119.04888	0.5
119.08578	2.6
121.02861	2.5
121.06514	1.1
121.10146	10.2
123.04417	1.3
123.08025	1.1
123.11707	0.7
125.02385	0.6
125.05994	15.7
125.09626	0.6
126.06349	0.5
127.03941	1.3
127.05807	0.5
131.08603	1.5
132.37535	0.4
133.02870	1.4
133.06450	1.3
133.10092	1.1
135.04460	0.6
135.08054	0.7
135.11679	0.6
136.07597	0.8
137.05995	3.7
137.09644	1.9
138.03120	1.7
138.09091	0.5
139.03932	0.6
141.06998	0.7
143.04889	1.0
143.08490	0.6
145.06488	1.4
145.10147	1.7
147.04425	1.7
147.08051	1.2
147.11665	0.6
149.09596	4.9
151.07530	0.8
153.01886	1.9
153.05467	100.0
154.02211	1.2
154.05807	3.5
155.02226	0.9
159.04454	1.5
159.11646	0.7
161.05981	4.8
162.03180	0.6
163.03888	0.6
163.07539	0.8
164.07095	1.4
165.05496	2.7
165.09108	1.2
167.03403	2.0
167.07040	2.8
167.10686	1.7
171.04367	0.5
173.05946	2.7
173.09578	0.6
175.03989	0.5
175.07520	1.1
176.04605	1.0
177.05486	4.8
179.07068	1.0
183.11603	0.6
184.07373	0.7
185.09677	0.5
187.07527	1.1
187.14821	0.7
191.07048	8.4
193.04961	1.9
193.08603	10.3
199.07529	0.6
201.09103	2.5
203.07074	1.5
205.08606	1.5
207.06537	2.0
211.11176	0.8
215.07117	0.6
217.08687	0.6
218.05598	0.6
219.06564	2.7
220.06667	0.5
224.08101	0.5
229.08633	1.1
229.12271	3.2
231.06551	2.0
231.10219	1.1
233.08163	3.8
233.11737	5.0
239.10660	1.0
243.13881	1.0
247.09752	0.5
257.11835	1.1
261.07660	0.6
261.14893	4.4
271.13260	3.9
281.13776	2.5
289.14337	9.4
290.14758	0.8
301.10480	0.7
397.16309	0.6
433.18405	1.5
451.19299	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
55.01887	0.5
55.05511	4.9
57.07082	1.9
65.03943	0.4
67.05507	9.0
69.03432	0.6
69.07063	6.5
69.77967	1.8
71.04996	1.6
79.05491	6.6
81.07056	14.1
83.01357	0.4
83.05000	0.8
83.08615	4.0
85.06551	1.5
91.05482	5.9
93.06461	0.6
93.07047	11.4
95.04974	1.5
95.08606	17.6
96.08950	0.4
97.06535	1.2
97.10185	2.2
105.07035	11.6
106.07327	0.5
107.08587	12.9
109.06535	1.1
109.10158	7.6
111.08099	0.8
117.07021	2.1
119.08580	14.0
119.09428	0.7
121.06484	0.9
121.10141	9.6
121.10991	0.7
122.10472	0.5
123.08076	1.5
123.11708	3.1
125.09653	1.1
126.05291	0.8
128.06233	0.7
129.07025	1.7
131.08568	6.0
133.06554	0.7
133.10123	9.4
134.10365	0.5
135.08080	1.1
135.11696	7.1
135.12657	0.6
137.06012	0.6
137.09659	1.3
137.13254	2.9
139.11203	0.6
141.07106	0.6
142.07756	0.9
143.08534	4.1
145.10114	7.2
147.08052	1.1
147.11687	6.7
149.09607	1.1
149.13260	5.6
151.07549	0.4
151.11151	0.9
151.14864	1.0
155.08527	2.0
156.09352	0.8
157.06349	0.4
157.10141	4.5
159.08105	0.6
159.11670	5.9
161.09650	1.4
161.13260	4.8
163.11176	0.7
163.14793	3.3
163.15823	0.3
165.09122	0.5
167.08575	1.3
168.09401	0.4
169.10091	2.7
170.10893	0.7
171.11688	4.1
173.09706	0.6
173.13261	4.8
175.11142	0.4
175.14810	5.7
177.09161	0.7
177.12828	0.6
177.16396	3.2
179.14401	0.4
181.10149	1.2
182.10947	0.8
183.11693	3.4
185.09604	0.6
185.13257	2.9
187.11208	0.5
187.14801	6.3
187.16330	0.5
189.12744	0.6
189.16386	4.0
191.14424	0.5
191.17946	0.9
193.05077	0.5
193.08659	0.6
193.12134	1.1
194.08949	0.5
194.12480	0.7
195.09201	0.8
195.11760	1.5
197.13258	2.9
199.11241	0.8
199.14835	3.8
201.12790	1.1
201.16426	3.6
203.14360	0.5
203.17947	5.1
205.15845	0.9
207.11792	0.6
207.13751	0.5
209.13326	1.5
210.14052	0.5
211.09602	0.9
211.14861	1.7
212.09985	0.9
213.10210	1.5
213.12738	0.6
213.16432	3.8
214.10545	1.2
215.10791	0.9
215.14339	2.1
215.18036	1.3
217.12196	0.5
217.15945	2.0
221.13377	0.9
223.14906	1.6
225.16434	1.7
227.14313	1.4
227.18002	1.5
229.15927	1.0
229.19577	0.7
231.13860	0.5
231.17479	0.9
235.14938	0.6
237.16487	1.4
239.14310	0.5
239.17952	1.6
241.19571	1.1
243.17551	1.0
245.15474	0.5
247.17075	0.7
249.16476	0.8
251.17979	1.1
253.19536	1.5
255.14012	0.6
255.17441	1.6
255.21048	0.5
257.18945	0.8
259.17038	0.9
263.17834	0.6
267.21054	0.7
269.19046	0.9
273.14862	0.7
273.18881	0.6
275.20102	0.7
277.19312	0.5
277.21872	0.6
279.20963	0.7
280.18893	0.7
281.15436	0.5
281.19086	0.8
283.20438	0.7
285.18469	0.5
289.17715	2.1
291.20941	0.7
293.22675	1.2
299.20172	0.6
301.14355	0.5
301.17957	0.9
305.22598	0.5
309.22144	0.7
311.23645	0.7
331.24362	0.8
333.25864	0.5
339.23196	2.2
381.28165	0.6
387.30362	2.7
405.27307	0.5
405.31598	10.3
406.31781	0.7
415.31720	1.5
416.32562	1.2
423.32797	0.6
433.24310	0.9
433.31155	5.4
450.31903	7.8
451.20981	100.0
451.32108	62.9
452.21259	8.8
452.32629	3.7
471.20074	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	19.7
59.04990	15.3
61.02936	20.7
67.05499	41.7
69.03432	28.7
71.04997	60.5
73.02909	26.0
79.05490	42.0
81.03398	29.1
81.07056	100.0
83.05001	23.0
83.08626	22.8
85.02912	40.3
91.05498	34.4
92.75520	14.7
93.07043	74.2
95.04977	31.9
95.08608	64.8
97.02889	16.2
97.06529	34.9
98.23343	32.5
99.08099	22.0
105.05559	17.5
105.07044	48.9
107.08602	60.2
109.06478	30.5
109.10142	83.0
111.08046	20.7
113.06030	33.7
119.08601	45.7
121.02857	33.4
121.10116	48.3
123.08102	25.2
123.11726	33.8
125.09619	21.5
127.03946	25.2
127.11194	58.2
131.07030	17.8
131.08617	19.5
133.10165	51.1
135.04355	14.2
135.11633	20.6
136.07645	16.6
137.06024	35.5
137.09630	58.4
140.73389	14.3
145.10121	23.6
147.08098	19.7
147.11656	28.2
149.09607	32.2
149.13214	22.3
153.01880	18.3
155.10603	35.0
161.07164	25.1
163.11169	23.3
164.07080	26.6
165.09125	24.4
165.12714	16.5
167.07089	54.1
167.14302	46.9
167.22368	15.7
179.07060	15.1
202.22256	15.4
205.15907	29.7
217.15919	48.6
223.16878	23.8
225.11240	24.7
235.16949	50.6
253.17982	72.9
254.18478	18.9
269.17542	22.7
271.19107	83.9
308.21457	16.6
319.04691	72.4
341.10229	24.3
379.90808	16.4
388.75180	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	25.9
59.04995	16.1
65.03925	14.8
67.05515	43.8
69.03427	45.5
69.07068	32.1
71.05001	73.6
73.02930	14.4
77.30913	14.2
79.05507	49.8
81.03404	20.9
81.07042	82.5
83.04948	28.4
85.02900	41.1
87.04462	19.8
91.05492	33.4
93.07026	100.0
95.04957	62.6
95.08584	80.3
97.02876	34.5
97.06540	34.6
97.10221	13.3
98.23438	25.5
99.08105	21.9
99.44000	11.8
104.06663	12.3
105.05516	21.1
105.07015	55.6
106.07419	15.3
107.04983	12.9
107.08580	67.3
109.02868	15.9
109.06471	35.9
109.10168	77.3
111.04432	15.8
111.08027	25.7
112.16287	15.1
113.06005	33.2
117.07034	17.5
119.08585	44.1
121.02956	18.9
121.06528	20.0
121.10139	43.9
123.04426	33.7
123.08090	32.4
123.11721	22.7
125.09594	16.3
127.03907	22.3
127.11195	64.4
131.05882	14.8
131.08594	20.6
133.10130	42.8
135.11664	19.0
137.02348	15.5
137.05980	67.8
137.09593	76.8
139.03905	19.7
139.62045	15.5
145.10172	23.9
147.11678	46.7
149.09625	52.7
149.13280	39.5
155.10635	26.4
163.03943	22.1
167.07059	33.8
167.10677	31.7
167.14293	55.8
175.11211	19.5
191.87514	18.0
193.08638	15.4
205.16008	23.6
217.15840	38.2
223.17003	26.8
225.11458	17.3
235.16930	63.6
243.12398	16.5
253.17827	71.3
267.88843	14.6
271.19019	63.8
304.06378	14.1
319.04480	78.8
341.10260	28.2
434.85251	18.8
438.82169	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	451.3202
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
53.03948	4.5
55.01872	2.5
55.05502	16.7
55.37187	1.7
57.07061	6.1
59.04987	1.7
65.03924	3.3
67.05501	28.7
69.03417	5.2
69.07067	17.1
71.04967	3.5
79.05483	28.7
81.07050	63.2
83.04979	18.9
83.08601	10.5
83.93061	1.7
84.17764	1.7
85.06534	3.2
91.05470	34.3
91.05986	3.4
93.07039	50.6
95.04963	11.3
95.08599	62.8
95.70998	1.9
96.28972	1.7
97.06538	7.0
97.10186	4.9
99.08035	2.0
102.09188	1.6
103.05492	3.1
105.07021	68.8
106.07375	2.2
107.08582	68.9
108.08927	2.5
109.06497	10.8
109.10138	38.8
111.08055	6.4
115.05418	4.5
117.07020	14.8
119.08575	88.6
121.06492	2.6
121.10135	49.6
121.10983	3.6
123.08069	8.4
123.11702	17.0
125.09606	9.8
127.07520	5.7
128.06226	3.8
129.07005	7.8
131.08549	43.3
131.09451	3.3
133.10114	57.0
134.10428	2.0
135.08072	8.7
135.11690	19.2
137.09627	9.0
141.07028	3.4
142.07759	4.2
143.08542	25.2
144.09323	3.5
145.10110	56.6
146.10448	2.9
147.08057	3.5
147.11681	35.0
149.09596	9.2
149.13216	13.5
151.11177	6.1
155.08519	10.1
156.09323	4.3
157.10104	28.5
158.10797	2.4
159.07968	2.7
159.11676	52.5
161.09607	5.0
161.13235	24.4
162.13519	1.8
163.07510	3.9
163.11189	7.5
163.14838	15.1
165.12756	4.6
167.08562	3.3
167.11819	1.8
169.10091	13.1
170.10867	3.8
171.11655	27.4
172.12360	2.2
173.09563	4.1
173.11809	3.2
173.13243	29.9
175.11247	2.5
175.14809	22.0
177.09143	2.8
177.12756	5.5
177.16370	7.6
179.08658	2.0
181.10094	4.5
182.10904	2.6
183.11676	15.9
184.12364	3.0
185.09618	2.7
185.13263	26.6
186.13824	2.7
187.11226	2.9
187.14813	39.2
189.12762	3.5
189.16362	21.0
191.10715	2.2
191.14268	8.5
191.17998	6.1
193.15886	3.1
195.11662	8.2
197.13266	19.1
198.13998	2.4
199.11169	2.2
199.14781	28.7
201.12772	5.0
201.16364	44.7
203.14255	8.5
203.17963	8.1
205.15865	8.0
209.13246	8.0
211.14772	14.1
213.12880	2.4
213.16353	34.1
215.14304	6.7
215.17947	7.9
217.15842	10.3
217.19354	2.0
219.17398	13.6
221.13289	3.4
223.14857	4.0
225.16367	6.6
227.14299	3.6
227.17801	8.7
229.15858	5.1
229.19550	3.1
231.13869	2.6
231.17476	9.4
235.14772	3.0
237.16347	4.7
239.17944	8.3
241.19420	11.0
243.17346	4.5
245.15335	5.8
247.16878	3.8
249.16492	2.7
251.17957	4.6
253.19452	10.7
255.21036	2.8
259.16861	11.8
263.17822	2.5
265.19522	5.8
267.21051	5.8
279.20911	3.4
291.21152	3.2
299.19913	4.2
309.21802	3.8
321.22366	2.4
333.25568	2.0
347.27527	2.3
351.22809	2.6
353.24609	3.8
370.44043	2.0
387.30447	7.0
393.27411	3.5
405.31500	46.8
406.31882	6.9
407.32883	3.7
409.27444	3.8
433.25885	2.1
433.31378	18.7
451.32050	100.0
452.32227	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	451.3205
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
55.05506	12.0
57.07078	4.8
65.03938	3.0
67.05502	17.5
69.03440	2.4
69.07053	14.0
69.20918	1.3
69.24136	3.0
69.24541	8.3
70.06586	2.4
79.05488	12.4
81.07047	24.0
83.04981	5.4
83.08609	8.2
85.06562	2.2
88.07638	4.2
91.05466	13.8
93.07042	18.0
95.04968	2.9
95.08598	27.1
97.06527	4.2
97.10192	3.1
98.98485	1.7
99.08083	1.6
102.09171	3.9
105.07023	25.8
107.08585	30.8
109.06508	4.5
109.10143	20.7
111.08080	3.4
111.11755	1.5
117.07037	5.8
119.08575	37.6
119.09411	2.3
121.06481	2.3
121.10120	22.5
123.08089	10.6
123.11709	9.3
125.09621	4.4
128.06224	2.3
129.07024	5.1
130.07771	2.1
131.08559	17.5
133.10123	29.9
135.04437	1.7
135.08083	3.9
135.11684	10.0
137.09634	5.0
137.13275	3.4
138.23438	1.6
139.11156	2.2
141.06998	2.4
142.07817	4.0
143.08551	15.0
144.09396	2.1
145.10109	28.9
145.11205	2.0
147.08044	2.3
147.11679	19.5
149.02335	11.7
149.03236	1.2
149.09633	5.5
149.13213	6.4
150.02705	5.5
151.07579	2.2
151.11192	2.5
153.09238	1.5
155.08546	6.7
156.09351	3.8
157.10101	21.4
158.10899	2.7
159.11687	19.4
161.09645	3.9
161.13235	14.5
163.03879	3.1
163.11200	2.5
163.14891	6.0
165.12785	1.6
169.10080	8.8
170.10880	2.5
171.11667	12.2
171.12849	1.3
172.12408	2.7
173.09663	1.8
173.13269	14.2
175.11201	3.7
175.14807	10.2
177.12775	5.7
177.16357	3.5
179.14342	4.8
181.10191	3.1
183.11682	12.0
185.13254	17.6
185.14735	1.7
187.11229	3.1
187.14795	29.4
188.15248	1.7
189.09187	2.2
189.12784	4.5
189.16373	7.9
191.10793	1.9
191.14233	8.0
191.18036	1.6
193.04956	15.7
194.05273	9.7
195.11705	6.6
196.12553	2.5
197.13301	11.0
199.11176	1.6
199.14799	9.8
201.12799	3.0
201.16373	14.2
203.03415	1.8
203.10660	2.0
203.14377	4.4
203.18013	4.9
205.15927	3.6
207.06554	5.3
207.11781	1.5
207.13823	2.4
207.17389	1.6
209.13316	5.2
210.13834	1.7
211.14864	8.5
213.12892	1.8
213.16354	20.1
214.16788	1.8
215.14346	8.0
215.17931	10.9
217.12355	2.2
217.15866	6.7
217.19542	2.0
219.13872	2.1
219.17493	3.1
221.13310	3.1
221.15320	2.1
223.14828	4.8
225.16446	5.9
227.14514	1.5
227.17915	13.6
228.18271	1.6
229.12267	1.9
229.15909	2.0
229.19505	3.3
231.13885	2.7
231.17538	4.3
233.15390	1.7
235.14740	2.2
237.16379	2.3
238.17197	2.0
239.17894	7.5
241.15808	1.5
241.19551	6.4
243.17455	2.8
245.15352	1.7
245.19174	4.1
247.16939	3.2
249.16393	3.2
251.17967	4.6
253.19492	25.8
254.19958	2.1
255.21172	6.3
259.16995	4.1
261.18604	1.9
263.17978	1.6
265.19577	5.5
267.21100	9.3
269.19177	1.8
269.22592	2.4
271.17105	1.4
271.20609	3.1
273.18549	6.8
275.20322	1.6
277.19412	2.5
281.19171	2.0
281.22617	1.6
283.20511	1.9
284.29495	3.7
285.29767	7.1
287.20236	2.2
291.21088	2.8
293.22736	2.0
299.20041	23.8
300.20502	2.0
307.24228	2.9
309.22040	2.4
313.21671	1.9
314.22433	2.9
319.24408	4.1
321.25754	1.7
335.23676	2.3
349.25241	2.4
363.26770	3.1
365.24765	2.2
387.30383	7.2
405.31528	54.3
406.31976	7.7
407.33624	2.5
423.32443	2.6
433.31158	13.9
451.27194	7.3
451.32248	100.0
452.32547	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	451.3205
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
55.05500	12.7
67.05498	17.9
69.02776	4.4
69.07056	13.9
71.04981	7.9
72.69166	5.1
79.05486	11.5
81.06632	6.0
81.07038	30.5
83.03494	4.2
83.08633	8.0
89.06036	15.4
91.05483	14.0
93.07037	18.3
95.08617	35.1
97.10162	5.1
105.07037	30.1
105.07645	4.8
107.08566	29.2
109.10150	13.6
117.06980	6.5
119.08560	26.6
121.10126	16.7
131.08566	20.6
133.08607	7.8
133.10130	15.1
135.11656	5.3
139.47659	5.1
143.08612	8.0
145.10086	21.3
147.11685	8.9
149.13301	7.0
155.08546	7.8
157.10150	12.7
159.11681	14.6
161.13217	9.7
163.14786	9.5
169.10104	11.8
171.11746	15.2
173.13205	9.2
175.14751	23.1
177.16380	12.2
183.11578	5.9
185.13162	5.7
187.14876	10.4
189.16325	8.4
197.13232	7.3
199.14806	6.8
201.16396	7.1
211.14819	7.1
213.16385	8.2
215.17723	5.7
223.14807	6.1
227.17960	6.5
231.17516	8.9
239.14984	4.7
239.18059	7.0
279.20929	5.3
339.23224	7.5
364.87970	4.3
387.30511	23.3
405.31531	37.9
406.31400	5.4
407.33212	5.7
433.30951	42.8
434.31491	8.7
451.32031	100.0
452.32407	13.3
461.63678	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	451.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37337	1.7
53.03934	3.4
53.39682	1.6
55.01873	2.0
55.05501	19.7
57.07066	3.8
59.04988	2.3
65.03945	2.1
67.05500	25.4
69.03434	2.8
69.07059	17.8
69.54755	5.6
69.55164	3.6
69.76323	1.7
71.04986	1.7
75.55929	1.4
79.05486	19.0
81.07050	45.8
83.04972	38.7
83.08614	9.8
91.05474	28.8
93.07039	41.9
95.04976	7.6
95.08596	65.7
96.08919	1.7
97.06505	5.9
97.10170	3.0
98.23268	2.8
103.05448	4.1
105.07020	82.1
106.07367	2.7
107.08583	65.9
108.08842	1.9
109.06499	8.5
109.10152	37.6
111.08066	6.9
115.05376	2.9
117.07009	17.0
119.08575	100.0
120.08900	2.7
121.06506	4.4
121.10141	38.5
121.36406	1.5
123.08031	10.2
123.11665	9.4
125.09597	4.5
128.06239	5.5
129.07004	8.8
130.07741	3.1
131.07619	3.2
131.08557	46.2
133.06477	1.6
133.10118	59.4
135.08047	5.4
135.11696	15.4
137.09615	2.9
137.13231	3.3
139.07510	2.5
141.07004	4.1
142.07779	10.7
143.08545	23.8
144.09346	4.5
145.10109	74.5
146.10475	3.5
147.08017	5.5
147.11662	37.4
149.09575	3.9
149.13237	10.1
151.11172	2.1
153.09225	3.0
155.08556	8.0
156.09351	9.5
157.10114	37.2
158.10837	5.3
159.08044	3.8
159.11688	40.8
161.09616	12.2
161.13234	20.3
163.07520	7.2
163.11209	5.1
163.14799	7.1
165.09065	2.0
165.12747	2.2
167.08528	2.5
167.10660	2.2
168.09276	2.2
169.10120	14.8
170.10857	6.4
171.11638	27.7
172.12445	4.8
173.09578	4.4
173.13254	26.4
174.13582	2.2
175.11142	4.8
175.14806	41.9
177.09151	4.5
177.12666	1.9
177.16357	12.4
179.08545	2.1
181.10120	4.3
182.10852	2.3
183.11694	12.3
184.12442	6.1
185.09726	1.6
185.13217	21.5
187.11180	4.4
187.14799	66.1
188.15245	3.1
189.12662	4.4
189.16350	32.4
190.16521	1.7
191.14296	2.6
191.17938	5.6
193.10083	2.6
195.11662	5.0
196.12273	3.6
197.13226	9.8
199.11205	3.1
199.14786	28.2
200.15216	2.8
201.12772	4.4
201.16365	27.0
203.14294	14.7
203.17935	13.9
205.15848	10.4
209.13264	5.4
211.14830	9.3
213.16385	14.4
215.14304	7.0
215.17941	4.4
217.15878	13.5
221.13321	2.2
221.15398	3.6
223.14828	5.9
225.16292	7.0
227.17900	4.7
229.15828	7.6
229.19458	3.2
231.17323	9.6
233.15335	2.5
235.14813	2.3
235.16899	3.2
237.16345	4.0
239.17947	3.1
241.19492	3.4
247.16896	9.3
251.17865	2.8
253.19551	2.0
255.20891	2.5
257.18958	2.4
263.17993	3.0
265.19601	3.0
267.20969	2.3
281.22592	3.1
291.20932	1.9
293.22650	2.0
297.21793	1.9
309.22079	6.3
335.23807	2.9
341.20416	1.9
367.26346	3.4
387.30432	6.8
405.31601	34.2
421.30905	3.4
423.32626	2.5
432.74365	2.1
433.31314	16.4
451.26962	9.8
451.32452	50.1
451.38675	2.8
452.32135	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3207
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
53.01859	1.2
53.03954	2.9
55.05513	14.2
57.03433	1.4
57.07089	2.9
62.67031	1.1
65.03926	2.1
67.05505	18.9
69.03432	3.8
69.07067	18.4
69.09273	10.0
69.09689	2.7
79.05492	21.3
81.03429	1.8
81.07056	82.6
82.07375	2.1
83.04984	25.2
83.08615	8.8
85.06521	7.1
91.05479	28.2
93.07044	45.7
94.07377	1.6
95.04987	7.2
95.08606	59.5
96.08962	2.1
97.06551	4.2
97.10164	4.1
103.52691	1.2
105.07032	59.6
107.08595	66.6
108.08916	1.9
109.06508	7.9
109.10155	33.0
111.04460	2.1
111.08061	6.3
115.05482	2.4
117.07033	9.7
119.08582	100.0
120.08965	2.4
121.06535	3.5
121.10150	42.2
121.10991	2.4
123.08056	6.0
123.11700	11.1
125.09661	4.1
127.03242	1.5
128.06261	4.0
129.07010	9.1
131.08565	41.7
133.10132	55.0
134.10509	1.3
135.08102	5.0
135.11710	12.4
137.06023	1.4
137.09621	4.6
137.13248	16.2
141.06969	3.3
142.07762	6.6
143.08566	22.5
144.09303	3.7
145.04355	1.4
145.10121	67.7
146.10704	1.9
147.08066	3.2
147.11700	35.6
149.09659	5.9
149.13242	14.8
151.11258	3.6
153.01848	20.7
153.02994	1.5
153.05382	1.5
153.09180	1.9
155.08578	9.1
156.09299	7.0
157.10130	30.8
158.10938	4.5
159.08107	2.2
159.11696	43.5
159.12939	2.5
160.12236	2.3
161.09663	7.1
161.13264	25.1
163.07594	2.2
163.11221	5.4
163.14835	20.7
168.09433	2.0
169.10123	15.1
170.10945	5.9
171.11682	27.5
172.12410	2.2
173.09705	2.7
173.13264	32.7
175.11288	4.2
175.14815	36.0
177.12807	5.9
177.16374	15.9
179.14320	2.2
181.10181	5.4
182.10933	2.7
183.11679	14.6
184.12552	4.4
185.09747	2.2
185.13272	16.8
186.10435	1.6
187.11249	3.1
187.14822	56.4
188.15199	3.0
189.12746	6.5
189.16389	36.6
189.18004	2.6
190.16756	2.2
191.14297	7.2
191.18071	2.5
193.15932	2.3
195.11761	5.5
196.12492	3.1
197.13232	13.6
198.13882	1.9
199.14821	32.0
200.15425	2.0
201.12787	2.2
201.16380	35.9
201.18127	2.0
202.16718	1.6
203.14333	8.9
203.17938	14.8
205.15887	13.7
207.11719	2.5
207.17700	1.4
209.13298	5.4
210.14064	1.9
211.14838	16.3
213.12910	2.4
213.16397	23.3
215.14426	9.6
215.17944	14.4
216.14537	1.5
217.15903	20.7
217.19586	1.7
219.17505	3.2
221.13327	3.1
221.15378	2.4
223.14909	4.3
225.16399	8.8
227.14461	3.1
227.17950	9.3
229.15901	18.5
229.19641	4.7
231.17409	7.6
233.15381	3.0
235.16998	2.6
237.16342	7.2
238.17290	1.4
239.18025	9.6
241.15955	1.8
241.19449	11.7
243.17531	5.0
243.21175	4.1
245.15489	3.7
245.19083	2.0
247.17073	3.7
249.16423	2.2
251.18108	3.5
253.19527	9.4
255.17503	1.7
255.21156	4.0
257.15430	1.6
257.19135	2.8
259.17072	3.4
259.20612	6.7
261.18610	3.7
263.18097	2.5
265.19476	3.6
267.17996	1.8
267.21262	5.3
269.19116	2.9
273.18689	2.6
277.19611	2.1
279.21161	3.9
281.19275	2.1
281.22543	2.0
283.20642	1.5
285.18619	2.8
287.20129	2.7
289.19437	2.0
291.21066	2.4
293.22723	3.8
299.20065	4.2
305.22845	2.2
309.22394	2.3
313.21494	1.6
317.22614	2.1
319.24219	1.6
321.25800	3.3
325.21600	2.3
331.24271	1.7
345.25748	1.7
347.27670	1.6
361.28729	1.9
367.26410	4.2
369.28000	1.8
375.30499	2.0
377.24911	2.0
377.32208	3.2
387.30545	11.7
388.31244	1.7
393.27966	2.7
405.31537	68.7
406.31613	6.0
407.33386	6.8
421.31232	5.2
423.32605	9.1
433.18979	3.0
433.31064	29.2
434.31503	4.2
451.32248	92.8
452.32602	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	451.3206
Annotation	Puliscabrin
Peak:m/z	Relative Intensity
53.03936	2.4
54.97056	1.8
55.01875	1.6
55.05509	13.4
57.03432	2.3
57.07067	2.0
57.45426	1.5
65.03941	2.3
67.05506	16.5
69.03429	4.2
69.07065	15.3
69.62785	8.8
71.04993	2.2
77.03889	1.9
79.05488	19.2
81.03410	4.0
81.07056	36.7
83.04980	26.2
83.08620	7.2
85.02908	2.7
85.06547	5.7
85.92072	1.4
91.05477	24.3
93.07045	39.4
95.04977	6.6
95.08606	52.0
96.59607	1.6
97.06536	3.3
97.10168	4.6
98.22636	2.4
103.05470	3.5
105.07027	55.8
106.07316	2.1
107.08595	51.8
109.06509	8.2
109.10146	27.0
111.08124	3.1
115.05498	3.0
117.07024	11.9
119.08582	100.0
120.08952	4.3
121.06509	4.1
121.10146	40.2
123.08080	6.5
123.11704	11.3
125.09644	3.2
127.03965	2.2
128.06210	3.5
128.73825	1.7
129.07016	6.7
130.07828	2.6
131.08563	31.4
133.10127	50.6
135.04486	1.8
135.08093	5.2
135.11697	10.7
137.05980	5.1
137.09621	2.6
137.13164	2.5
141.07039	2.2
142.07782	6.9
143.08557	19.6
144.09331	3.5
145.06502	1.9
145.10117	55.0
146.10524	1.7
147.11681	35.3
149.09633	7.1
149.13248	12.6
151.03934	2.9
151.07521	3.8
153.09137	3.3
155.08531	7.5
156.09341	6.8
157.10115	30.0
158.10828	4.6
159.08028	3.3
159.11697	38.7
161.09637	5.3
161.13260	45.2
163.03912	5.4
163.07619	3.0
163.11165	3.5
163.14857	16.8
165.09059	1.8
167.07039	2.6
167.08496	3.3
169.08855	1.7
169.10101	10.2
170.10904	3.4
171.11685	24.2
172.12349	2.3
173.09604	3.3
173.13258	40.2
175.11275	4.1
175.14806	26.2
177.16383	13.8
179.14317	4.2
181.10181	2.6
183.11635	8.4
184.12459	4.1
185.13249	14.1
187.14819	38.1
188.15285	2.0
189.12762	4.5
189.16386	41.3
190.16795	2.4
191.14346	7.7
191.17993	2.9
193.15862	1.8
195.11720	3.0
197.13242	13.3
199.11160	1.8
199.14809	33.7
201.12856	2.6
201.16393	27.1
203.14297	10.4
203.17906	14.3
205.15921	4.3
207.13863	3.3
209.13272	3.1
211.14850	7.2
213.16365	25.7
214.16783	2.3
215.14354	12.6
215.17859	12.5
217.15872	30.5
217.19429	2.8
219.13855	2.6
219.17464	2.5
223.14757	2.7
225.16463	5.2
227.18024	6.4
229.15919	6.9
231.17371	8.0
232.17879	2.1
235.16959	3.2
237.16394	2.1
239.17992	4.8
241.19496	8.8
243.17456	4.0
243.21019	3.1
245.15546	2.1
247.16914	3.3
251.17909	2.7
253.19550	6.1
255.21111	2.7
257.19086	2.1
259.17004	8.1
259.20444	2.2
261.18561	4.0
265.19672	2.4
267.21097	6.6
285.18509	2.0
287.09106	2.3
299.20096	2.1
321.25854	2.2
327.12341	1.7
343.26086	1.6
347.27011	1.9
354.90109	2.0
367.26193	2.9
369.42923	1.6
387.30457	9.9
389.32242	1.8
391.26459	2.1
393.27905	3.5
405.31546	42.0
406.31873	4.9
407.33176	7.4
421.30908	1.9
423.32758	4.6
433.31070	20.0
434.31451	2.8
451.18887	2.8
451.32092	58.3
452.32397	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	451.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.8
55.01859	4.7
55.05519	15.9
57.07080	3.2
65.03917	3.6
66.30135	2.1
67.05500	34.8
69.03420	3.4
69.07063	19.2
71.04989	41.3
77.03880	1.8
79.05492	36.7
81.03403	4.5
81.07053	64.6
83.04964	4.4
83.08615	7.7
85.02884	3.0
85.06537	14.4
87.04468	3.5
91.05476	38.6
92.05782	2.0
93.07038	73.1
95.04959	4.6
95.08601	75.9
96.08868	2.4
97.06528	30.8
97.10139	5.5
98.23368	3.8
101.06004	6.0
103.05457	5.3
105.07021	81.8
105.07732	4.2
107.04984	2.2
107.08590	70.3
108.08887	2.4
109.06525	6.2
109.10143	43.6
111.08082	11.5
115.05451	2.4
117.07011	14.9
119.04942	3.8
119.08576	77.6
120.08926	2.2
121.06495	3.0
121.10135	53.1
121.10994	4.4
123.04440	5.8
123.08065	4.3
123.11690	13.1
125.05981	4.8
125.09604	4.5
129.06952	3.7
131.04945	2.8
131.08562	46.9
133.06543	2.0
133.10123	57.4
135.08060	7.9
135.11674	41.7
137.05960	8.9
137.09599	5.9
137.13274	6.1
139.11163	4.8
141.07004	3.1
142.07741	3.1
143.08530	11.8
144.09325	3.0
145.10118	61.8
146.10646	2.1
147.04362	6.5
147.08073	2.6
147.10568	3.6
147.11678	52.6
147.12854	2.8
148.12093	2.7
149.09601	8.6
149.13251	39.8
151.11180	8.6
153.05464	32.1
153.12819	4.8
155.08565	2.9
157.10110	15.1
159.07942	2.4
159.11694	44.5
160.12161	2.6
161.09654	3.6
161.13245	45.9
163.07483	2.8
163.11180	13.4
163.14804	7.0
165.12701	17.1
169.10132	5.6
171.11710	13.2
173.13260	35.9
175.11099	2.7
175.14847	14.4
177.12758	14.3
177.16396	10.4
179.06989	5.2
179.14302	25.6
183.11687	6.4
184.12317	1.9
185.13191	15.3
187.14809	23.5
189.12717	6.8
189.16371	37.1
190.16884	2.4
191.14288	34.5
191.17924	2.8
193.15851	6.2
195.13809	10.0
197.13274	5.7
199.14798	17.5
201.16382	18.1
203.14314	5.0
203.18002	6.7
205.15883	17.5
207.17427	38.6
208.17763	3.3
209.13460	2.1
209.15332	4.0
211.14828	3.8
211.17014	1.9
213.16368	15.7
215.14282	2.5
215.17897	9.5
217.15752	2.5
217.19325	2.3
219.17514	10.6
223.16850	11.5
225.16409	4.9
227.17940	8.6
228.88399	2.5
229.19473	5.8
231.17374	10.8
231.21054	2.4
233.18944	3.5
239.18033	3.9
241.19545	2.8
245.18973	7.2
249.18523	3.1
253.19513	2.5
255.21045	2.3
257.18604	1.9
259.20410	3.3
295.23981	2.5
297.22095	3.7
327.26721	4.3
339.26822	23.0
357.27759	7.2
367.29953	21.9
368.30325	2.4
379.29892	24.4
380.30066	2.4
385.31064	31.7
386.31470	3.3
397.31009	47.0
398.31473	3.6
403.31937	8.7
415.32108	26.2
421.33136	5.3
433.33118	100.0
434.33435	11.8
451.18790	6.2
451.34290	29.1
452.19293	2.0
452.34567	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.2
55.05500	10.5
57.07081	5.6
58.37746	1.3
61.66258	1.5
67.05503	20.0
69.07063	23.7
69.20609	13.6
71.04967	1.9
71.08624	3.0
71.68309	1.6
73.78120	1.5
77.74054	1.4
79.05481	14.4
81.07057	54.6
83.04993	2.6
83.08627	8.2
85.06523	2.1
85.70365	1.3
89.06030	9.5
90.83033	1.5
91.05474	18.1
93.07041	38.1
93.07583	2.7
93.12509	1.8
95.04956	2.4
95.08601	52.2
97.06484	1.5
97.10171	3.2
98.23379	2.7
105.07027	36.8
107.08595	60.6
109.06506	1.8
109.10165	20.4
111.04412	2.4
117.07058	6.7
119.08578	41.3
119.09403	2.1
121.10141	41.1
123.11687	9.8
129.07028	7.2
130.07791	2.5
131.08549	12.5
133.08601	5.1
133.10129	37.5
135.11690	29.4
137.13243	13.1
142.07841	2.1
143.08556	13.5
145.10115	28.0
145.11212	2.1
147.11679	22.5
149.13251	61.1
150.13649	2.2
156.09416	2.7
157.10121	17.6
159.11703	22.3
161.13266	15.0
163.14824	72.0
164.15195	3.4
169.10135	3.2
171.11726	9.8
172.12471	1.7
173.13234	13.8
175.14803	15.5
177.16373	16.2
183.11749	3.9
185.13286	11.6
187.14789	16.1
189.16371	14.8
191.18010	2.8
197.13333	2.9
199.14772	7.5
201.16350	14.3
203.17928	16.7
211.14891	3.9
213.16420	8.0
215.17952	20.8
217.12207	2.2
217.19589	1.9
225.16374	3.0
226.17052	1.5
227.17914	11.8
228.18660	3.6
229.19485	18.3
239.14888	3.5
239.17995	2.1
241.19473	18.6
242.20219	2.8
243.21127	7.5
253.19633	5.4
255.21085	34.6
256.21606	1.9
257.22784	3.4
267.21130	4.9
269.22690	15.5
270.23260	1.6
283.23721	1.5
295.24310	4.1
301.21600	3.3
327.23181	26.7
391.33560	22.5
392.33893	3.9
415.32175	1.8
451.35767	100.0
452.36075	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	452.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.2
55.01888	4.7
55.05516	5.2
55.32464	2.7
57.03436	14.0
57.68509	2.3
59.19024	3.0
61.02924	3.2
67.05494	13.3
69.03429	13.6
69.07077	5.1
70.28125	6.1
70.28510	7.2
71.04984	8.6
72.37926	2.7
73.02926	19.9
79.05491	11.0
81.03419	5.3
81.07056	22.0
82.07444	3.2
83.04968	6.7
85.02908	21.8
91.05476	10.7
93.07023	8.0
95.04941	3.4
95.08605	9.8
97.02889	10.9
103.05453	7.9
105.03395	6.9
105.07036	13.3
107.04946	5.1
107.08596	6.7
109.02901	4.0
109.06474	3.3
109.10165	9.0
109.10954	2.6
111.04419	5.2
115.05447	10.6
119.04942	6.0
121.02866	9.1
121.06507	5.2
121.10139	8.1
123.04430	21.5
123.11714	17.8
124.07603	16.0
127.03928	6.9
131.04929	5.6
131.08516	3.6
133.05005	5.0
133.06506	4.1
133.10107	5.1
135.04422	7.9
137.05994	25.4
137.09602	3.7
139.03923	6.2
142.08665	16.7
143.04951	5.4
145.04932	5.1
145.10095	5.1
147.04402	9.5
149.05975	9.6
151.03889	14.0
151.11186	6.8
153.05441	3.0
155.10672	8.9
161.05977	47.0
163.03902	5.8
163.07516	3.6
167.07018	5.7
173.05927	3.5
175.14935	3.4
177.05530	14.8
179.08571	6.1
192.04468	3.4
207.08147	4.6
235.07497	11.8
239.10699	3.6
253.08556	5.8
267.10110	14.6
273.11404	3.7
285.11215	100.0
286.11462	6.1
297.07520	4.7
301.10544	7.7
303.08963	3.3
303.12271	11.9
322.56485	3.3
373.42117	3.1
376.48294	3.4
452.17847	3.9
453.20697	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	452.249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34555	1.8
53.03937	3.0
55.01858	4.9
55.05506	4.4
57.03436	38.5
59.04977	2.4
61.02926	17.8
65.07661	1.6
67.05503	18.5
69.03429	43.5
69.07058	2.9
70.66470	2.2
70.66811	2.9
71.01350	5.0
71.04992	19.0
73.02914	76.8
79.05493	7.2
80.36572	1.4
81.03411	9.0
81.07054	39.0
83.08613	1.8
83.87963	1.4
85.02901	100.0
85.06536	1.9
86.03227	1.8
86.09721	2.2
87.04457	7.2
91.03960	4.5
91.05473	5.5
93.07034	6.5
95.08599	9.2
96.20719	1.6
97.02891	66.4
97.10162	4.2
99.04435	3.9
101.02342	1.7
103.03912	2.4
104.10770	2.2
105.07013	7.9
107.04929	1.8
107.08594	7.7
109.02870	7.2
109.06513	2.1
109.10144	3.6
111.04419	1.9
111.08080	2.2
115.03923	58.2
119.08561	4.2
121.10146	4.1
123.04456	4.1
123.08035	1.8
123.11708	15.8
127.03912	29.2
131.08604	2.3
132.06572	2.4
133.04964	18.6
133.10135	4.3
135.11710	3.7
137.05934	2.1
137.09622	1.9
139.03839	1.8
141.12709	7.4
145.04948	40.1
145.10135	2.9
149.06009	1.4
150.07590	6.7
151.11235	3.6
159.11714	1.8
161.13266	2.2
162.07608	1.7
163.06017	14.5
165.12727	2.9
167.07050	5.5
169.12422	1.7
171.11671	2.3
177.05489	4.7
181.12155	1.9
184.07248	2.2
191.14351	1.8
193.04913	2.3
216.07567	2.4
219.13898	2.2
219.45628	1.8
223.05980	6.4
241.06989	8.4
249.15028	2.5
259.07971	2.4
267.15878	1.8
452.19516	6.4
453.16354	8.6
453.29929	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76999	1.1
71.33836	1.4
79.05494	3.5
81.07039	1.5
91.05499	1.3
103.05417	2.5
105.07027	3.3
105.40620	1.0
107.04952	24.6
107.08648	1.9
111.21366	1.4
115.05437	1.5
122.02912	1.1
123.04484	1.3
124.05241	1.5
135.08069	8.2
142.50534	1.1
154.06256	2.6
163.07521	14.7
167.07040	12.2
180.07869	3.7
195.10167	100.0
196.10489	5.3
233.86742	1.1
395.07980	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.0087
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.2
52.88520	0.5
53.00304	0.8
55.01873	25.5
56.02176	0.4
63.99791	0.4
68.99802	2.8
69.03429	0.8
71.01362	0.4
71.31848	0.6
79.01852	8.5
81.03405	0.5
83.01344	22.1
85.02900	1.1
91.05478	0.8
95.01321	1.1
96.67766	0.4
97.02917	2.0
101.02373	1.1
107.01313	1.3
109.02913	0.4
111.00807	6.0
112.01510	0.5
119.04908	1.4
123.00761	1.3
123.04427	4.4
125.02349	4.5
135.04411	0.8
137.06000	0.4
139.00261	14.9
139.03888	4.5
139.05424	1.3
139.39531	0.5
140.00923	0.5
141.01822	0.6
143.03369	2.3
147.04391	3.5
151.03934	1.3
153.01822	100.0
154.02147	2.8
155.04900	0.6
157.01337	6.9
159.04388	0.5
162.08405	0.4
163.03915	0.9
165.05467	1.0
166.99788	1.7
167.04938	1.9
169.01360	1.4
175.03883	0.5
181.05026	0.7
183.04465	0.8
185.00816	19.0
185.02496	0.9
186.01128	0.6
187.03835	1.1
189.01921	0.7
193.02885	0.7
195.04422	2.7
201.01814	1.3
202.02518	0.4
203.03310	0.5
205.02965	0.7
211.03926	1.7
213.01848	0.5
215.03426	1.2
221.02364	1.5
223.03906	3.8
229.01326	0.8
231.02840	1.2
233.02426	0.9
235.03922	0.6
239.03436	2.9
239.07356	0.4
241.01341	2.6
243.02966	1.2
249.01906	2.9
251.03342	3.5
257.00784	5.9
258.01453	0.6
259.02350	1.3
261.01895	0.6
265.01337	1.3
267.02872	6.1
269.00836	2.3
271.02606	0.4
273.00323	2.5
273.03442	0.6
273.07385	0.7
277.01263	0.8
279.02911	3.3
281.00839	1.7
283.02353	0.9
285.00323	1.3
285.03821	0.7
286.01089	3.3
287.01871	20.3
288.02191	1.2
289.01334	0.8
291.05246	1.0
291.08588	0.6
295.02386	3.4
299.01913	0.7
300.99863	1.0
302.00629	0.8
303.01291	1.3
305.00787	21.3
306.01111	1.1
307.02356	14.9
308.02744	1.2
311.01682	1.0
312.99860	6.1
313.03223	0.7
317.00845	0.5
323.01831	12.3
324.02179	0.8
325.03247	0.7
327.01318	0.8
328.99203	1.1
331.00842	2.2
333.00272	2.1
335.01663	2.6
339.01172	0.9
341.03088	0.7
351.01401	2.7
353.02939	0.7
360.99707	2.5
363.01321	20.4
364.01651	1.8
364.99234	0.5
369.02457	0.6
379.00818	19.8
380.01215	1.6
381.02347	1.0
388.98999	1.1
391.00861	10.8
392.01413	0.8
397.01801	1.9
405.99692	1.3
407.00317	37.3
408.00708	3.2
409.01941	4.2
416.98883	1.1
425.01331	0.9
434.99814	51.8
436.00229	4.9
440.01694	0.4
453.00876	56.3
454.01218	4.3
471.01941	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	453.1389
Annotation	Epicatechin 3-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.02370	0.6
53.03942	1.3
54.16209	0.4
55.01870	3.2
57.03411	1.6
61.02914	2.1
65.03936	1.0
67.05491	1.6
68.99783	2.0
69.03423	6.1
70.57405	0.7
70.57738	0.8
71.04993	0.6
73.02912	0.7
75.57047	0.4
77.03922	0.5
79.01804	0.4
81.03423	2.7
83.01331	1.7
83.04966	0.9
85.02393	1.0
85.02901	16.0
91.03966	0.6
91.05454	1.0
93.03377	1.1
95.04974	1.5
97.02888	5.3
98.23212	0.5
99.04431	1.1
107.04933	1.3
109.02856	1.6
111.00777	0.9
111.04443	2.7
115.05485	0.6
117.03381	0.5
119.04944	4.1
120.89556	0.4
123.04427	51.9
124.04758	1.4
127.03905	5.1
133.06487	0.5
135.04445	2.2
137.02293	0.4
137.05920	0.9
139.00282	1.3
139.03896	100.0
140.04227	2.7
143.04909	0.5
145.04964	3.1
147.04402	13.2
147.05576	0.7
151.03902	4.0
153.01814	5.1
153.05447	1.7
161.05981	2.7
163.03896	3.6
165.05475	12.2
168.05121	0.5
169.04936	1.0
177.05528	0.6
179.07040	1.0
181.04961	1.4
185.00891	1.1
189.05458	1.4
197.01230	0.6
205.05013	1.0
207.06557	1.7
215.07227	0.4
237.00525	0.4
257.04456	0.9
271.06128	0.5
273.07574	2.9
283.02603	1.1
287.01740	1.4
291.08609	10.7
301.03677	0.7
305.00726	0.6
323.01648	1.0
345.02649	0.9
363.01224	1.3
379.01010	1.1
407.00357	2.2
434.99850	3.0
436.00089	0.6
453.00998	4.5
453.09366	2.5
453.14011	1.8
454.01276	0.5
471.01657	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1389
Annotation	Catechin 3'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.02369	1.0
53.03951	1.5
55.01869	4.0
57.03419	2.0
59.98062	1.0
61.02940	1.5
62.43544	1.0
65.37531	1.0
67.05500	1.5
68.99813	2.8
69.03439	7.5
70.82848	1.8
73.02917	1.2
75.87550	0.9
78.51321	1.0
81.03433	3.8
83.01343	1.4
83.05001	1.5
85.02905	22.9
87.04470	1.6
91.05454	1.6
93.03389	1.6
95.04961	3.3
97.02876	7.0
98.51369	1.0
99.04479	1.3
103.03944	3.1
105.07104	1.2
106.63083	1.0
107.04945	2.9
109.02868	3.7
111.00867	1.2
111.04440	4.6
119.04971	4.9
121.02872	2.5
123.04430	75.0
124.04797	2.7
127.03976	4.8
135.04414	3.6
135.05386	1.0
137.06013	2.0
139.00305	1.7
139.03900	100.0
140.04283	1.9
143.04860	1.4
145.04930	3.2
147.04398	21.6
148.04796	1.8
149.05942	1.5
151.03902	9.9
153.01823	6.6
153.05486	1.6
154.22070	1.2
161.05978	3.2
163.03897	32.3
164.04260	1.5
165.05481	17.5
169.04916	2.4
175.03938	3.3
177.05496	2.8
179.07063	1.8
181.04994	4.1
189.05394	2.7
193.04971	1.8
201.05383	1.8
205.04964	8.9
207.06500	2.5
217.05006	1.2
231.06454	1.3
235.05995	2.6
247.06052	5.9
265.06998	2.1
266.03046	1.1
273.07471	3.1
283.08072	2.7
285.07578	2.1
285.27359	1.0
287.02014	1.5
287.05569	1.4
291.08536	11.9
292.08856	1.4
301.09177	3.0
303.08530	2.2
305.00708	1.7
315.08655	2.3
357.09741	2.2
363.01154	1.6
379.00928	2.6
381.09702	1.7
407.00214	3.6
417.12204	1.3
434.99860	3.9
435.99982	1.1
453.00781	6.4
453.13992	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	453.1391
Annotation	Epicatechin 3-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01873	3.3
56.96560	1.6
57.03443	1.9
58.11278	1.0
61.02932	2.1
67.05524	1.5
69.03418	3.3
70.57934	3.2
73.02936	1.1
76.11054	1.1
81.03414	2.3
84.51099	1.2
85.02898	10.1
91.05503	1.2
95.04982	1.6
97.02882	5.8
98.97563	1.4
99.04427	1.2
111.04467	1.3
116.76054	1.0
119.04950	3.5
123.04428	52.2
124.04794	1.9
127.03916	2.4
135.04356	1.3
137.02284	1.4
139.00255	2.2
139.03897	100.0
140.04233	3.2
145.05008	1.6
147.04391	18.0
151.03902	4.6
153.01881	3.3
161.06001	3.2
163.03918	5.5
165.05476	15.4
169.04971	2.9
179.07024	1.7
181.04968	3.3
205.05048	3.1
207.06512	4.6
237.02905	1.8
273.07574	2.8
280.03940	1.2
291.08563	20.8
292.08972	1.8
295.02600	1.3
295.06842	1.4
301.09305	1.5
305.00812	1.7
323.01810	2.1
326.53958	1.1
379.00864	2.8
386.40677	1.4
407.00363	2.6
434.99905	2.7
453.00626	6.1
453.13644	4.1
453.19141	1.9
454.12631	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1391
Annotation	Catechin 3'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.34188	1.2
52.65488	1.1
55.01875	4.0
56.96576	1.8
57.03439	1.5
61.02921	2.9
64.29240	1.2
65.03952	2.2
67.05509	2.2
68.99802	2.4
69.03423	5.5
69.57061	2.4
69.57470	4.6
71.04993	2.1
72.04520	1.4
72.08153	1.2
81.03418	3.1
83.01339	1.3
83.04997	1.5
85.02909	15.2
91.05474	1.9
93.03379	1.3
93.07062	3.1
95.04976	2.5
95.08621	1.5
97.02879	5.4
99.04396	1.3
102.32408	1.1
107.05003	1.2
107.08600	1.4
109.02892	3.2
109.10190	1.4
111.04438	4.1
119.04951	6.0
121.02910	1.4
123.04435	66.1
124.04785	2.6
127.03931	5.0
129.05531	2.0
135.04475	2.7
135.50873	1.3
137.06018	2.6
139.03899	100.0
140.04225	2.7
143.04819	1.7
145.04990	2.5
147.04422	17.5
149.06078	1.2
151.03946	5.3
153.01837	6.4
153.05386	1.3
154.12268	2.1
161.06033	4.8
163.03932	7.0
165.05504	16.0
169.05031	1.8
172.13391	1.7
175.07440	1.2
177.05540	1.5
177.76895	1.1
179.07037	2.2
181.04979	3.7
185.00836	1.3
189.05469	2.7
202.81270	1.0
205.04994	3.9
207.06554	4.5
265.06921	1.3
273.07639	4.1
287.01840	1.5
291.08575	25.7
292.17584	2.6
346.34097	1.1
363.00980	1.2
365.30356	1.4
379.00824	2.7
407.00330	3.5
417.11719	1.4
434.99857	3.7
435.17368	1.5
453.00925	7.4
453.13483	7.0
453.19116	2.0
454.13712	1.6
471.02240	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1391
Annotation	6'-O-Galloylsalidroside
Peak:m/z	Relative Intensity
51.02372	0.9
53.03937	1.5
55.01879	1.1
56.26268	0.4
57.03429	1.0
61.02910	0.7
65.03934	0.4
66.25694	0.4
67.05497	1.0
69.03418	4.2
69.07067	0.5
71.04993	0.7
71.31473	0.7
78.96388	0.4
79.01846	4.5
80.06120	0.4
81.03414	6.8
81.07053	1.0
83.01351	0.5
85.02897	5.6
85.06570	0.5
91.05464	1.7
93.07047	0.9
95.04975	1.0
95.08616	0.7
97.02895	3.9
99.04425	0.6
103.03978	0.7
103.05449	0.5
105.07059	0.7
107.01307	1.9
107.04939	1.2
107.08593	0.6
109.02888	4.7
109.06513	0.5
109.10157	0.5
115.05457	0.4
119.04946	1.1
119.08542	0.5
121.06503	1.8
123.00791	0.5
123.04432	7.2
124.07611	0.5
125.02341	3.7
125.09595	0.5
127.03909	6.7
131.04926	0.6
131.08606	0.5
135.04399	1.4
135.08075	0.4
137.02350	0.5
137.05957	1.2
137.09578	0.5
139.03923	1.5
143.03381	5.4
144.99370	0.5
145.04971	1.0
147.04385	3.9
149.05986	1.1
151.03909	0.6
151.07487	0.6
151.11113	0.6
152.07092	0.6
153.01823	100.0
153.02884	4.6
154.02177	1.9
159.08064	0.7
161.05974	0.9
163.03894	1.1
163.07640	0.6
163.11952	0.4
165.05473	1.8
167.07043	1.6
168.07478	0.4
169.02596	0.6
171.02888	10.8
175.07533	1.2
176.07861	0.6
177.05473	3.4
179.06973	0.7
181.04897	0.8
189.05525	0.5
229.08493	0.6
231.06551	0.6
237.18591	0.7
238.18831	0.7
238.58716	0.5
247.09644	0.8
255.04929	1.0
262.82718	0.5
291.02795	4.5
291.13449	0.9
297.06003	4.2
301.10709	1.5
315.07089	5.5
316.07236	0.6
349.15366	0.7
453.00836	1.5
453.08151	4.0
453.13861	1.7
453.20938	1.8
479.62555	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04885	0.7
55.05516	3.0
67.05477	0.9
69.07039	1.2
71.32898	0.6
79.05466	0.8
81.07004	1.2
83.01077	1.1
83.08584	2.9
85.02908	0.7
86.09663	0.8
87.72977	0.8
91.05452	1.5
93.07017	1.2
95.01102	3.2
96.01833	1.1
97.10171	0.7
100.11250	9.3
100.25065	0.6
105.06982	1.4
111.04363	2.3
112.01289	1.2
113.02133	3.1
114.09110	0.6
115.05435	1.1
119.08573	0.6
123.04389	1.9
123.58567	0.7
126.09114	0.8
128.07066	1.2
131.08456	0.7
135.08063	0.8
137.05923	1.8
140.07095	0.6
147.11639	0.9
151.03844	0.8
153.01784	1.0
153.05402	1.0
157.04639	1.0
165.09018	0.7
167.06943	2.1
176.04332	1.1
182.15376	4.9
185.04208	5.0
189.05403	0.7
201.03714	1.2
201.05231	2.4
203.05193	2.5
209.16446	3.0
210.14880	4.2
211.09485	1.2
215.26326	0.8
216.05748	0.9
216.07584	14.8
217.07927	1.3
219.06198	1.5
227.17313	1.0
233.07816	0.7
259.07422	3.1
273.07794	0.7
276.72400	1.1
303.08475	1.1
336.22412	0.8
382.12018	1.3
384.99261	0.7
389.81018	1.3
408.65314	0.6
422.15274	1.4
423.15793	1.0
435.33005	1.9
444.83472	0.7
453.16949	100.0
453.34268	7.1
454.17200	9.1
454.33289	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1729
Annotation	3,4,5-Trimethoxy-3',4'-dithoxybibenzyl 3'-O-glucoside
Peak:m/z	Relative Intensity
55.05505	0.7
60.60122	0.5
69.47318	1.2
69.47732	2.4
92.44396	0.5
95.04977	0.8
98.22569	1.2
100.11234	3.4
101.00895	0.6
109.02872	0.6
111.04388	0.5
121.12469	0.5
123.04423	1.3
125.06004	1.0
135.04402	0.7
137.06013	0.7
143.03148	0.7
153.05470	1.9
180.07671	0.5
181.04938	0.7
181.08478	0.8
182.15372	0.7
183.06563	1.0
184.84984	0.5
185.04202	1.9
185.08112	2.3
186.08441	1.9
203.05257	14.2
205.95485	0.5
209.16402	0.6
210.14900	0.8
229.11902	0.8
247.13206	1.3
250.69800	0.5
254.66934	0.7
273.10855	1.2
291.11990	14.7
291.15021	0.9
292.12463	0.8
309.12115	0.8
333.12057	0.7
409.18356	7.0
435.33658	1.2
453.17310	100.0
453.34119	2.6
454.17661	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	453.2095
Annotation	Asp Arg Tyr
Peak:m/z	Relative Intensity
50.42791	0.2
55.01870	0.3
55.05503	0.5
67.05495	0.4
69.66097	1.3
79.05464	0.5
81.03410	0.3
81.07040	0.6
83.04990	0.2
83.08625	0.7
87.24279	0.2
91.05486	0.5
92.03829	0.2
93.07030	0.6
95.04977	0.3
95.08585	0.6
98.22607	0.3
100.11243	1.4
105.07058	0.5
107.04919	0.4
107.08600	0.5
109.10149	0.4
111.04429	0.4
117.07069	0.2
119.08574	0.6
120.81601	0.2
121.10131	0.6
123.04418	1.0
125.49197	0.2
131.08507	0.4
133.10097	0.4
135.04456	0.2
135.07953	0.3
137.05995	0.6
139.03903	0.4
143.08531	0.2
145.10101	0.7
147.04335	0.3
147.11707	0.6
149.13156	0.3
151.03931	0.4
151.07591	0.3
153.01743	0.3
153.05489	0.4
159.08012	0.2
159.11673	0.7
161.09605	0.5
165.05417	0.3
167.07028	2.6
171.11778	0.2
173.13223	0.2
175.11140	0.4
177.05441	0.4
179.07072	0.3
181.04976	0.3
182.15416	0.8
183.06552	0.7
187.11189	0.3
193.04977	0.2
193.08507	0.3
193.79056	0.2
201.12639	0.3
203.05243	0.5
209.16501	0.4
210.14871	0.9
211.11327	0.2
219.17566	0.2
226.99387	0.2
227.43069	0.2
247.17004	0.3
257.08188	0.3
272.70468	0.2
291.15726	0.9
301.10669	0.3
303.08658	0.4
423.19873	1.1
435.33249	0.4
453.20920	100.0
454.21240	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	453.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	13.1
55.05530	6.1
61.78876	7.5
67.05513	15.5
69.03432	20.2
69.07046	13.7
69.12577	34.0
69.13005	27.3
71.04992	50.9
73.06549	7.3
79.05511	20.5
81.03421	11.5
81.07048	35.4
81.15005	6.8
85.02906	25.3
85.06549	14.2
86.57021	6.6
91.05479	15.3
93.07053	38.6
95.04979	19.4
95.08612	28.3
97.02889	8.8
97.06603	8.4
97.10158	14.6
98.23515	7.4
105.07048	33.0
107.04965	10.9
107.08586	37.2
109.02798	6.7
109.10149	27.9
119.08571	17.4
121.10153	76.7
123.04440	48.2
125.02354	7.8
125.09641	43.9
127.03953	9.5
127.11211	18.7
133.10129	100.0
135.11687	11.7
137.06006	8.0
139.03922	17.8
143.10677	85.4
145.10101	17.0
147.04489	9.8
147.11717	23.7
149.06032	6.9
149.13293	13.5
151.11183	17.7
153.01846	26.6
159.11696	24.0
161.13248	11.9
163.04002	9.1
165.05498	13.0
167.07086	20.5
177.05508	16.9
181.05042	10.4
189.16383	39.7
201.16399	17.4
207.17567	15.9
219.17372	36.4
237.18486	38.3
238.18889	6.6
255.19568	31.7
273.20544	16.0
287.01392	6.7
291.12534	7.6
301.10724	8.3
303.08594	6.3
318.10745	6.6
432.77158	7.2
435.00089	6.8
453.00891	25.0
453.13089	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	453.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
60.35651	5.3
61.02921	9.9
69.03411	9.9
69.07090	7.2
70.72323	13.7
71.04992	12.1
79.05479	6.2
81.07065	18.3
83.05022	5.2
83.90152	4.8
85.02944	8.5
91.05482	6.7
93.07050	22.3
95.04966	17.5
95.08601	10.4
97.06465	7.7
97.10178	5.8
102.75229	5.5
105.07045	21.3
107.04949	6.0
107.08587	12.6
109.10158	18.0
119.08546	8.8
121.02868	35.0
121.10150	48.8
123.04417	32.8
125.09580	11.1
131.08575	6.1
131.82204	5.5
133.10155	47.6
135.11699	7.1
139.03914	10.6
143.10687	35.5
147.04422	23.4
147.11716	12.8
149.05859	6.6
149.13274	7.0
151.03903	7.5
151.11198	7.3
153.01875	7.2
159.11746	9.7
167.07054	100.0
177.05420	5.5
179.07083	9.2
181.04956	8.7
189.16345	26.8
201.16466	6.7
207.17381	7.3
209.08125	5.7
219.17479	17.4
227.09166	13.4
237.18486	23.3
245.95297	5.2
255.19597	8.9
306.37430	5.6
346.76755	4.6
362.76239	6.7
406.99878	5.6
453.01318	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	453.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28664	1.1
53.03944	4.1
55.01876	6.8
55.05510	60.8
56.05833	1.7
57.03426	3.1
57.07075	4.2
63.23004	0.9
65.03928	2.6
66.22432	1.1
67.05501	66.1
68.05835	1.3
69.03429	2.2
69.07064	50.7
70.07388	1.6
71.05003	6.1
71.08633	1.2
73.06565	1.4
79.05492	40.8
81.07054	75.1
82.07396	1.8
83.04978	6.4
83.08617	100.0
85.06532	5.5
87.08105	1.9
91.05473	29.9
93.07039	49.9
95.04964	6.3
95.08603	77.5
96.08941	1.5
97.06525	8.6
97.10165	7.9
99.08122	2.2
103.05468	2.2
105.07022	30.5
107.04943	1.2
107.08585	38.4
108.08958	1.2
109.06499	6.3
109.10156	35.7
109.10875	2.3
110.08616	1.0
111.08078	32.4
111.11680	1.4
113.09647	1.3
117.07017	9.6
119.08579	30.4
121.06483	7.0
121.10139	36.6
123.08044	6.0
123.11694	13.9
125.05962	1.4
125.09642	4.8
127.07532	1.6
128.06189	1.1
129.07013	4.2
129.09128	5.0
131.08568	17.8
133.10124	26.7
135.08055	7.3
135.11674	21.5
137.09631	3.8
137.13242	5.3
139.07541	21.1
139.08537	2.0
139.11180	3.7
141.09113	1.2
142.07785	2.2
143.08531	7.5
144.09383	1.9
145.10109	24.7
146.10468	1.3
147.08015	3.6
147.11684	17.9
149.09639	7.1
149.13252	10.1
150.03952	1.0
150.09937	1.2
151.07628	1.5
151.11188	3.4
151.14851	2.2
153.09094	4.5
153.12740	1.9
155.08611	2.8
157.08607	11.9
157.10121	8.8
159.08102	2.5
159.11685	17.3
161.09615	3.1
161.13264	14.8
163.11221	7.3
163.14876	5.9
163.16063	1.1
165.09160	1.9
165.12740	2.9
166.57436	1.1
167.10661	2.1
169.10098	3.6
171.11665	8.0
173.09575	2.9
173.13242	13.8
175.09657	42.5
175.11079	2.6
175.14787	10.2
176.10083	1.3
177.12788	5.2
177.16411	4.8
179.14255	1.8
181.10117	2.1
182.10968	1.3
183.11670	5.0
185.13243	5.0
187.11159	2.6
187.14827	12.6
189.09166	1.3
189.12769	2.4
189.16383	6.8
191.10571	1.4
191.14319	3.4
191.17892	1.6
195.11629	2.2
197.13271	3.9
199.11198	2.4
199.13242	1.1
199.14761	5.5
201.12820	2.4
201.16310	10.2
203.14339	4.0
203.17943	2.6
205.12439	1.4
205.15842	7.1
207.17407	2.4
209.13361	2.0
209.15297	1.3
211.11130	1.4
211.14870	2.1
213.12878	1.4
213.16339	3.8
215.10741	1.6
215.14342	2.6
215.18031	2.3
217.15935	2.1
217.19380	2.2
219.17467	2.4
223.14867	1.8
223.16866	1.4
225.16467	1.4
227.18027	2.3
229.15834	3.2
230.16096	1.2
231.13826	1.6
231.17476	3.1
239.18007	2.5
241.15964	1.4
241.19464	2.1
243.17349	1.7
243.21057	8.8
247.17004	4.5
249.18553	1.7
251.17850	2.0
251.20126	1.5
255.17455	1.8
255.20955	1.7
261.18887	1.6
261.22110	20.8
275.20105	3.0
277.21576	1.8
279.23181	68.4
280.23651	5.9
293.21222	3.5
297.21375	1.8
297.24301	17.7
305.21542	1.4
311.23660	1.1
319.22763	2.1
371.29327	1.9
381.27774	4.8
389.30969	1.6
393.28082	1.3
397.27289	1.8
399.29037	12.8
407.33389	6.5
417.30032	35.2
418.30341	3.1
435.32217	16.1
453.27319	32.3
453.33282	23.6
454.28690	3.9
454.34174	2.7
457.03278	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.9
55.05504	30.8
57.07064	7.4
61.03775	2.6
61.50898	2.6
65.03912	3.7
67.05501	42.8
69.03431	4.0
69.07064	33.0
69.16245	22.6
71.04980	4.1
79.05490	38.5
81.07055	73.9
83.04966	23.0
83.08608	14.9
85.06567	3.2
91.05470	39.3
93.07043	69.7
94.07305	2.9
95.04980	15.9
95.08604	89.7
97.06525	6.8
97.10165	4.3
105.07023	81.8
107.08591	87.0
108.08988	3.3
109.06524	15.8
109.10156	52.1
111.08081	7.9
115.05433	2.9
117.06966	11.9
119.08582	100.0
120.08910	2.7
121.06459	5.7
121.10146	58.0
122.10446	3.4
123.08070	10.3
123.11700	20.9
125.09629	9.3
129.07004	9.1
130.07808	3.5
131.08566	40.5
133.10121	73.9
135.08051	9.3
135.11681	36.4
137.09598	11.4
137.13290	5.8
139.07510	3.2
139.11136	4.5
143.08496	16.8
144.09328	4.3
145.10117	70.9
147.08083	6.1
147.11682	45.1
148.11987	3.6
149.09621	10.7
149.13255	24.9
151.11192	6.0
153.09113	5.4
155.08586	5.8
157.10126	26.3
159.11693	52.2
160.12076	2.7
161.09584	6.7
161.13239	36.1
163.11208	8.6
163.14809	18.2
165.12677	5.6
169.10141	5.9
170.10756	2.5
171.11711	19.8
172.12344	3.3
173.09586	4.6
173.13261	38.4
175.11208	5.6
175.14806	38.3
177.12793	5.1
177.16345	20.1
181.10059	4.0
182.10902	2.7
183.11679	10.9
185.13292	12.4
187.14842	51.3
188.15126	4.0
189.12769	3.6
189.16373	57.2
190.16710	4.1
191.14258	13.0
191.17979	8.3
193.15916	2.8
197.13249	7.1
199.11134	2.4
199.14862	17.7
201.12552	3.0
201.16373	62.5
202.16701	3.4
203.14328	4.1
203.17953	34.6
205.15887	19.2
207.17413	6.0
211.14807	5.5
213.16344	28.3
215.14391	5.6
215.17947	35.7
217.15869	18.0
217.19684	4.7
219.17416	27.1
225.16373	4.3
227.17952	10.9
229.19672	3.7
231.17464	6.4
233.15395	4.3
233.19081	5.1
235.16939	9.8
237.16290	3.5
239.17810	3.6
241.19545	10.1
243.20979	5.5
247.16975	9.4
253.19604	4.4
255.21107	7.9
257.18988	2.9
261.18652	16.2
261.21234	3.2
267.21164	7.5
269.22513	3.5
281.22617	3.0
283.20444	4.0
293.22388	3.3
301.21536	3.5
349.28763	3.1
389.32343	12.1
407.28867	4.4
407.33234	49.2
408.33328	3.7
435.32950	22.9
453.34235	84.6
454.33929	7.9
470.26379	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	453.336
Annotation	Supinenolone D
Peak:m/z	Relative Intensity
53.03930	4.8
55.01906	3.7
55.05510	36.9
55.39701	2.7
57.07075	10.4
65.03946	4.0
67.05504	47.9
69.07072	34.3
71.04999	5.0
71.31564	3.5
71.31960	3.7
73.38442	3.0
75.28554	2.5
79.05492	34.1
79.39873	2.6
81.07054	73.3
82.07374	4.2
83.04990	4.9
83.08620	19.3
85.06523	6.6
89.06034	3.8
91.05480	37.7
93.07039	70.5
95.04968	6.3
95.08602	100.0
95.09210	5.3
96.08923	3.2
97.06534	11.7
97.10175	11.0
99.08093	8.9
99.64737	2.9
100.11255	4.0
105.07032	56.0
107.04927	5.8
107.08584	81.4
107.09254	5.5
109.06516	10.4
109.10150	54.0
110.10488	3.2
111.08101	8.9
117.06995	15.6
118.65939	3.0
119.08572	99.3
120.08881	3.0
121.06435	3.3
121.10137	75.0
121.10993	5.2
123.08077	10.9
123.11706	21.1
125.05966	3.3
125.09653	8.9
129.07002	9.7
131.08551	32.4
133.10123	70.8
134.10458	4.2
135.07190	3.2
135.07991	14.9
135.11700	33.1
137.09624	11.6
137.13228	4.9
139.07556	5.2
139.11171	4.6
142.07742	3.7
143.08545	18.1
145.10104	65.9
147.11673	37.7
149.09636	12.5
149.13226	18.1
151.11174	10.5
155.08572	5.8
157.10110	20.9
159.08076	7.4
159.11697	44.5
161.09625	6.1
161.13257	25.8
163.07506	3.9
163.11194	26.1
163.14827	16.5
165.12691	4.1
169.10213	8.2
171.11679	16.9
173.09636	5.0
173.13232	31.6
175.11183	10.3
175.14799	28.8
177.09094	13.6
177.12773	7.0
177.16335	13.8
178.16614	3.6
179.14372	3.0
183.11688	8.9
185.13275	10.5
187.11136	5.3
187.14803	41.5
189.12790	5.4
189.16373	33.0
191.10710	4.9
191.17950	7.2
193.15944	4.4
195.11720	3.2
197.13245	7.0
199.14839	13.0
201.12662	3.5
201.16394	58.1
203.14377	8.2
203.17918	16.3
205.15881	33.4
207.17516	3.4
211.14922	3.9
213.16391	14.4
215.14320	12.2
215.17998	12.1
217.15820	5.5
219.17422	15.5
223.14854	4.4
225.16402	5.5
227.17899	6.6
229.15829	29.4
229.19522	7.0
231.17427	12.3
233.15332	16.2
233.19011	4.0
235.16901	3.3
237.14799	4.1
239.18033	4.0
241.15865	3.0
241.19498	5.7
243.17628	3.7
243.21031	3.4
247.16905	25.3
249.14728	4.2
255.21185	5.0
259.20575	8.4
265.19519	2.9
267.21152	3.4
269.22562	3.5
279.23209	5.8
299.26129	3.2
311.23779	14.6
389.32208	2.9
407.33231	43.2
418.27713	3.3
418.68698	3.3
435.32672	19.6
453.33975	69.8
454.34164	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	453.3366
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.03953	4.3
55.01865	4.5
55.05512	29.8
57.03428	1.9
57.07073	23.6
59.04997	2.8
59.48598	1.7
63.22262	1.6
65.03951	4.2
67.05504	66.4
69.03429	5.1
69.07066	49.0
69.07446	2.4
69.20076	15.5
71.04987	9.3
71.08664	2.1
73.06572	2.1
79.05492	36.3
81.07057	89.7
83.04986	6.9
83.08625	21.1
85.06563	7.2
85.10229	2.0
89.06033	5.9
91.05470	31.0
93.07040	67.0
95.04999	5.8
95.08607	85.8
97.06522	14.9
97.10169	10.5
99.08109	2.9
103.05469	2.0
103.82651	1.7
105.07027	52.8
107.05002	4.2
107.08593	66.9
108.08960	1.9
109.06541	4.7
109.10154	53.5
111.08105	8.3
111.11728	3.8
117.07063	5.8
119.08572	54.2
121.06565	4.1
121.10143	69.5
122.10519	2.9
123.08053	9.2
123.11715	24.5
125.05995	4.2
125.09617	11.0
127.11223	7.9
129.07018	3.6
131.08565	20.8
133.08629	3.6
133.10130	40.8
134.10574	2.6
135.08060	9.6
135.11700	39.1
137.09596	8.8
137.13271	9.1
139.07599	2.8
139.11192	21.5
142.07806	3.1
143.08565	9.1
145.10150	26.1
145.11250	2.9
147.11693	38.0
149.09634	12.0
149.13237	20.2
151.11243	3.8
151.14894	2.7
153.09074	4.2
153.12743	2.7
155.08676	3.5
156.09393	2.3
157.10152	12.8
157.12256	3.4
159.08067	2.6
159.11699	23.1
161.09633	3.5
161.13268	21.5
162.97885	2.0
163.11214	3.4
163.14888	14.5
165.12804	4.6
165.16351	2.4
167.08553	2.9
167.10687	14.8
169.10170	4.0
171.11766	7.9
173.09671	3.9
173.13293	16.4
175.11259	3.4
175.14835	21.0
177.09142	4.8
177.12782	2.5
177.16394	10.5
179.10728	5.5
179.14403	4.1
181.10181	2.3
183.11752	5.5
185.13234	10.0
187.11200	3.0
187.14830	20.9
189.12782	4.4
189.16406	24.4
191.14355	2.5
191.18059	3.6
193.15915	2.0
195.10156	11.9
195.11829	2.4
197.13380	5.9
199.11203	2.3
199.14783	10.3
201.12830	3.9
201.16382	21.9
203.14407	4.0
203.17909	20.2
205.12444	2.9
205.15958	7.8
207.13678	2.0
209.13268	5.2
211.14775	3.6
213.16527	6.6
215.14510	2.1
215.17982	7.4
217.15973	8.4
219.13873	2.6
219.17546	6.1
221.15460	3.7
225.16342	2.6
227.17961	4.3
229.15919	3.5
229.19629	2.4
231.13663	2.4
231.17395	3.1
233.15427	6.2
235.13293	2.9
235.17053	2.7
237.16473	2.9
239.17950	4.6
241.19591	7.5
243.17412	2.0
243.21097	5.3
247.16988	4.5
249.14937	6.7
251.16403	34.9
253.19615	2.4
261.22214	12.6
265.19717	2.5
273.18643	3.1
275.16599	6.8
279.20340	3.0
279.23169	14.9
285.18527	3.1
289.18008	2.2
291.19693	2.9
297.24405	2.3
299.20401	2.7
309.20728	7.8
311.23578	2.9
371.70929	1.9
389.32114	11.6
397.27588	4.2
399.32590	3.4
407.28909	2.6
407.33295	26.6
408.33612	4.1
417.33768	6.6
425.96320	2.1
435.32681	24.8
453.34006	100.0
454.34103	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	453.336
Annotation	Supinenolone D
Peak:m/z	Relative Intensity
51.58765	1.6
53.03950	3.0
55.05505	14.5
57.07067	5.1
67.05504	18.1
69.03427	1.8
69.07076	18.8
69.28836	6.5
69.29254	6.9
74.68623	1.9
75.44104	1.7
77.03898	1.9
79.05505	15.6
81.07053	46.0
83.04977	23.8
83.08598	8.9
87.52328	1.6
91.05473	26.2
93.06439	2.3
93.07043	42.9
95.04957	6.6
95.08604	70.0
97.06527	3.7
97.10166	4.4
99.08057	1.9
105.07023	64.5
107.08588	83.7
109.06507	6.9
109.10147	37.6
111.08080	7.3
117.07026	10.0
119.08579	92.4
120.08954	2.9
121.09264	3.3
121.10138	61.5
122.10400	1.9
123.08082	5.7
123.11694	20.6
125.09628	10.9
129.07022	6.8
130.07765	2.4
131.08569	31.3
133.10123	66.3
134.10466	2.3
135.08061	1.7
135.11679	27.8
137.09598	4.0
137.13216	4.4
137.93588	1.6
139.07628	1.7
143.08568	12.8
144.09317	2.3
145.10121	60.6
146.10797	2.0
147.11685	34.0
149.09647	4.7
149.13242	18.1
151.11166	9.6
153.09111	3.3
156.09322	2.3
157.10107	12.0
158.10884	4.5
159.11691	61.4
160.11998	2.6
161.13252	31.7
163.11176	3.0
163.14824	20.1
169.10139	2.0
171.11671	11.9
172.12515	3.6
173.13251	31.7
175.14816	34.7
177.09093	2.1
177.12709	3.9
177.16393	18.5
179.10654	2.8
183.11673	4.6
185.13269	7.5
187.14804	54.7
189.16374	71.8
190.16727	2.2
191.14316	25.0
191.16068	2.0
191.16399	2.2
191.17918	21.6
193.15935	6.1
197.13278	3.4
199.14827	15.1
201.16370	100.0
202.16745	5.7
203.17950	23.0
205.15895	14.4
205.19510	2.5
207.17438	4.1
211.14763	4.0
213.16376	39.3
214.16812	2.5
215.14484	2.7
215.17935	34.5
216.18246	1.9
217.15948	15.8
217.19476	15.0
219.17433	75.8
220.17783	4.5
225.16521	2.2
227.17920	6.2
229.15875	2.1
229.19427	3.9
231.17404	7.3
231.21091	2.6
233.19070	6.8
235.16901	27.7
236.17419	2.1
237.16499	2.3
239.17764	2.4
241.19373	10.9
243.21092	9.1
247.16890	17.0
248.17255	1.9
253.19547	4.5
255.21043	9.1
257.22739	2.5
259.17047	2.6
261.18622	8.4
267.21054	15.2
269.19000	2.1
281.22644	3.9
300.99884	1.9
313.81665	1.8
350.88354	2.2
379.33655	2.1
389.32156	9.3
407.33060	88.8
408.33405	7.5
409.34497	7.5
423.32349	3.7
435.32629	15.2
453.33813	35.2
454.33698	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	453.336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.8
53.92312	1.1
55.01874	2.4
55.05505	15.2
57.07077	4.6
59.04989	1.7
67.05506	27.3
69.03446	3.3
69.07066	22.3
69.89614	2.1
69.90000	2.4
71.05035	1.3
71.08651	2.1
72.01691	1.1
79.05488	24.1
79.05930	1.7
81.07053	55.4
83.04979	19.1
83.08610	9.6
83.08996	0.9
85.06551	2.4
85.43491	1.0
91.05472	26.8
93.07043	46.1
95.04962	12.4
95.08601	68.3
96.08948	2.6
97.06556	5.0
97.10146	5.5
99.08122	1.8
103.05460	2.0
105.07026	74.2
107.04929	1.2
107.08588	76.4
108.08965	1.2
109.06515	11.5
109.10152	44.7
111.08072	8.0
111.11698	1.5
115.05426	2.2
116.06216	1.5
117.07005	11.6
119.08580	100.0
120.08955	3.4
121.06519	3.2
121.10139	52.7
122.10484	2.6
123.08063	6.4
123.11704	16.0
125.09631	8.4
128.06219	2.8
129.06969	6.5
130.07800	3.9
131.08554	33.7
133.10126	58.9
134.10439	2.1
135.08115	4.6
135.11684	23.4
135.12621	1.7
137.09576	5.9
137.13254	2.8
139.07568	1.9
142.07831	3.2
143.08578	14.5
144.09357	4.9
145.10120	61.1
146.03975	1.1
146.10568	2.0
147.11679	39.6
149.09673	4.3
149.13251	14.5
151.11227	5.6
153.09166	3.6
155.08597	1.9
156.09384	3.1
157.10115	16.8
158.10942	2.5
159.11690	53.8
160.12189	2.4
161.09671	3.3
161.13255	30.9
162.13678	1.5
163.11272	4.5
163.14815	15.8
163.15991	1.4
165.12807	4.2
169.10185	3.7
170.10832	1.5
171.11697	10.7
172.12413	2.3
173.09625	1.1
173.13257	31.1
174.13800	1.8
175.11281	1.5
175.14806	28.8
176.15211	1.4
177.12764	2.9
177.16374	16.3
179.10756	1.3
181.10170	1.3
183.11768	4.3
184.12479	1.5
185.13237	6.4
186.13997	1.2
187.14809	44.1
188.15269	2.1
189.12828	2.2
189.14639	2.8
189.16376	59.2
190.16809	3.6
191.10687	1.2
191.14299	9.6
191.17967	12.1
193.12262	1.2
193.15967	4.4
195.11804	1.8
197.13351	4.3
199.14801	13.5
200.15329	1.2
201.16370	62.8
202.16829	4.5
203.14531	3.6
203.17914	28.2
205.15852	11.6
207.17502	2.9
209.13342	2.2
211.14951	3.1
213.16385	24.1
215.14700	1.9
215.17953	33.6
215.19991	1.8
216.18431	2.2
217.15884	15.6
217.19357	6.3
219.17432	28.0
219.19366	1.9
221.15405	2.1
223.14963	1.6
225.16599	4.0
227.17865	6.6
229.19629	4.3
231.17458	8.0
231.21161	1.8
233.19180	4.3
235.16928	12.5
239.18010	2.5
241.19556	7.9
243.17563	2.0
243.21074	6.3
245.19078	2.0
247.16971	7.2
249.18666	3.8
251.18050	2.0
253.19624	2.8
255.20990	6.6
257.18970	2.3
257.22800	2.4
259.20688	2.3
261.18497	14.6
265.19614	1.5
267.21063	8.0
269.19116	1.4
269.22757	3.1
279.21280	1.7
281.22772	2.7
283.24243	2.0
333.25626	1.9
347.27576	1.6
349.28909	1.6
351.26932	1.4
366.68332	1.2
389.32013	10.4
395.29694	2.1
407.33087	45.5
408.33701	5.1
409.34988	3.0
423.32629	2.6
435.32901	14.5
436.33301	1.6
453.33871	54.8
454.33987	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	453.336
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71358	2.9
53.03934	3.4
54.23699	2.1
55.05514	18.0
55.51035	2.8
57.07066	6.5
67.05505	25.0
69.03410	3.1
69.07053	18.6
70.86879	2.4
79.05482	19.7
81.07058	51.9
83.04974	15.8
83.08601	11.9
91.05479	22.8
93.07040	48.4
95.04963	5.1
95.08600	71.3
97.06532	7.1
97.10184	5.3
97.13222	2.8
104.36414	2.7
105.07024	67.8
107.08588	76.5
109.06503	5.8
109.10158	46.6
111.08089	6.7
117.07018	11.5
119.08574	100.0
120.08910	2.8
121.10145	55.3
123.08055	7.4
123.11695	15.0
123.69368	2.5
125.09624	9.4
129.06975	4.9
130.07768	3.3
131.08559	36.0
133.10127	62.0
135.08058	5.4
135.11691	27.7
137.09560	4.3
137.13239	4.7
143.08556	14.1
144.09299	3.3
145.10124	53.2
147.11671	31.5
149.09636	6.5
149.13252	12.4
151.11139	5.3
157.10129	14.0
159.11693	55.0
160.12234	2.9
161.09517	2.5
161.13261	24.1
163.14801	13.8
169.10141	3.9
170.11037	3.0
171.11665	13.5
172.12424	3.8
173.13278	33.5
175.14850	32.9
177.16376	23.4
183.11606	4.4
185.13213	4.2
187.14825	51.2
188.15057	3.0
189.16380	51.6
191.14304	16.4
191.17885	18.5
193.15935	4.4
197.13289	3.6
199.14738	19.6
201.16393	73.5
202.16681	3.2
203.17952	23.0
205.15875	23.9
206.16252	3.0
210.18520	3.2
213.16376	29.4
215.17967	34.3
217.15904	9.5
217.19505	10.0
219.17441	38.7
225.16368	4.8
229.15875	5.5
231.17470	6.0
233.19019	7.8
235.16824	13.1
241.19513	6.4
243.21092	6.4
247.16913	9.1
249.18423	3.0
255.21019	4.9
261.18555	12.1
267.21042	9.2
281.22607	3.7
293.22565	3.0
311.23804	4.2
356.62680	3.0
389.31934	10.0
391.33234	3.1
396.01163	3.3
407.33133	51.4
408.33435	5.3
423.32471	3.2
435.32526	9.9
453.18961	3.7
453.33798	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	453.3362
Annotation	Stellettin J
Peak:m/z	Relative Intensity
50.78889	1.8
53.03955	2.6
53.41449	2.1
55.05507	16.1
57.07067	3.8
57.48145	1.8
67.05508	20.3
67.55191	2.1
69.07064	18.9
69.30847	3.0
69.31248	13.9
73.47831	2.0
73.71565	2.0
77.09894	1.9
79.05495	16.3
81.07053	34.6
82.10309	1.8
83.04973	4.8
83.08618	11.5
91.05488	23.6
93.07048	35.0
95.08607	71.0
97.06544	2.3
97.10171	3.6
105.07031	52.1
107.08591	64.7
109.06538	3.8
109.10161	28.4
111.08073	4.9
117.07024	9.9
119.08580	100.0
120.08911	4.0
121.10142	56.4
123.08051	4.1
123.11707	10.2
125.09630	3.5
129.06947	4.6
130.07797	3.3
131.08565	31.9
133.10129	70.6
134.10506	2.1
135.08070	2.1
135.11685	24.5
137.09645	2.3
137.13237	3.4
142.07811	3.5
143.08586	13.8
144.09290	2.5
145.10126	61.8
147.11678	29.1
149.13271	15.3
153.09119	2.4
155.08492	2.4
156.09314	4.1
157.10123	22.2
158.10922	6.1
159.08092	2.3
159.11687	49.4
160.12292	2.8
161.09673	2.7
161.13240	31.0
163.07492	5.6
163.14821	11.1
165.09116	2.5
169.10130	6.2
170.10875	3.1
171.11726	13.7
172.12425	3.5
173.09714	3.7
173.13264	30.5
175.14815	44.9
177.09114	5.5
177.12715	3.0
177.16379	22.3
181.10155	3.6
183.11716	9.7
184.12459	2.1
185.13275	12.5
187.11191	2.5
187.14819	58.8
188.15108	4.5
189.16393	29.8
191.10770	2.4
191.14346	6.5
191.17918	7.2
193.15839	3.5
197.13251	7.5
199.14803	22.2
201.16383	65.8
202.16792	3.5
203.14349	4.6
203.17929	14.5
205.15872	5.8
207.17340	2.1
209.13141	2.7
211.14848	7.4
213.16386	20.1
213.18233	3.1
215.14386	4.9
215.17920	27.0
217.15924	7.1
219.17453	18.7
221.15414	2.7
223.14893	2.5
225.16348	5.0
227.17958	9.0
229.15875	5.4
229.19499	9.5
231.17459	7.7
233.15430	3.1
233.19008	5.7
235.16920	5.0
237.16409	4.2
239.17801	2.9
241.19473	3.5
245.18941	3.4
245.90305	3.0
247.16904	23.6
248.17403	3.5
251.18030	2.6
261.18509	5.0
269.22562	2.7
275.20206	3.2
285.18509	2.4
287.20258	2.8
293.22473	5.4
295.24258	2.2
299.20297	2.7
311.23657	11.5
319.24390	2.3
327.23273	3.2
341.24829	2.9
365.24716	3.0
389.32050	14.0
393.27441	2.8
407.33063	40.2
408.33566	3.1
435.32599	64.6
436.32947	4.9
453.24252	2.5
453.33917	58.1
454.33954	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	453.3361
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.03954	3.2
55.05510	23.7
57.07074	9.6
58.78121	2.2
59.04990	2.1
67.05500	24.6
67.94884	2.1
69.03405	3.9
69.07069	30.4
69.34760	11.2
69.35168	4.3
79.05493	23.5
79.50343	2.1
79.70469	2.6
81.07054	51.5
81.07502	4.1
83.04970	5.5
83.08618	14.6
83.44657	2.1
87.25230	2.3
88.82690	2.3
91.05482	26.2
93.07038	51.4
95.04970	4.8
95.08605	100.0
97.06537	2.7
97.10183	4.3
105.04495	2.1
105.07028	63.5
107.04964	3.3
107.08594	81.9
108.08932	3.7
109.10153	47.0
110.98852	2.3
111.08076	5.2
115.05406	3.1
117.07013	10.8
119.08580	93.0
120.08907	2.5
121.06531	5.0
121.10145	72.9
121.10996	4.4
123.08087	6.6
123.11696	21.6
128.10941	2.3
129.07019	3.6
130.07872	2.5
131.08557	35.3
133.10129	63.7
135.08076	6.2
135.11697	39.3
137.09650	2.3
137.13281	8.4
138.91713	3.2
139.11179	3.2
140.96661	2.3
142.07805	3.2
143.08539	15.2
144.09233	2.3
145.10130	60.8
146.10454	3.1
147.11687	33.4
148.12053	3.2
149.09673	5.1
149.13268	21.5
151.11224	4.5
153.09119	4.6
155.08615	4.2
156.09323	2.9
157.10150	18.5
158.10924	3.4
159.08058	2.7
159.11693	48.1
159.12953	3.9
160.12149	2.5
161.13248	27.7
161.14380	2.8
163.07602	3.5
163.11180	7.2
163.14832	17.9
165.09210	2.8
169.10132	6.9
170.10918	4.0
171.11726	17.0
173.09770	4.4
173.13231	30.6
175.11328	10.6
175.14819	52.6
177.09152	4.0
177.12830	5.1
177.16360	26.7
183.11688	7.4
185.13243	15.2
187.11177	3.3
187.14822	49.3
189.12779	3.9
189.16376	43.3
190.13611	5.6
191.14276	5.0
191.17957	12.1
193.15897	3.9
195.11760	4.3
197.13284	6.0
199.14799	17.6
201.16385	69.7
203.14284	12.3
203.17935	24.2
205.15887	39.2
207.17479	3.8
209.13350	5.3
211.14854	5.9
213.16402	22.1
215.14490	4.9
215.17914	16.2
217.12305	3.9
217.15968	10.4
217.19527	4.9
219.17496	12.9
221.15450	2.8
223.14790	3.3
225.16435	9.8
227.18001	8.8
229.16025	6.8
229.19539	4.6
231.17441	11.1
233.19060	4.5
235.16971	5.0
237.16333	3.7
239.17946	3.0
241.19603	9.6
243.21233	3.2
245.15416	3.2
247.16975	16.8
251.17940	3.5
253.19524	3.4
255.21008	3.8
259.16992	3.5
259.20734	5.4
261.18607	2.7
268.75418	2.5
273.19028	2.9
285.18509	2.8
292.22491	2.3
293.22687	3.4
298.59448	2.5
299.20236	2.7
307.24066	2.6
311.23849	10.0
337.25137	2.6
387.51456	2.3
389.32004	14.0
393.27725	3.5
407.20993	2.8
407.27997	4.0
407.33148	70.2
408.33459	6.6
435.32654	44.6
436.33243	3.1
453.33728	88.0
454.34122	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	453.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.6
55.05508	22.9
57.07076	5.7
65.03934	2.4
67.05504	30.8
69.02870	6.5
69.03307	8.2
69.07065	24.7
71.04989	1.7
72.89819	1.5
79.05492	24.8
81.03413	4.8
81.07054	62.3
83.04974	20.7
83.05432	1.9
83.08620	17.7
84.22289	1.4
85.06546	1.8
91.05478	34.6
93.07041	52.0
95.04961	7.3
95.08604	99.7
97.06512	3.5
97.10152	7.6
97.93118	1.6
99.08106	1.8
102.41064	1.6
103.05485	2.2
105.07029	82.1
106.07376	2.4
107.04984	1.7
107.08589	82.1
109.02885	3.7
109.06513	8.1
109.10154	54.6
110.10464	2.0
111.04439	2.0
111.08105	10.1
111.11736	1.8
115.05450	2.3
117.07016	11.2
119.08578	100.0
120.08871	3.0
121.06496	4.5
121.10146	58.2
122.10484	2.6
123.04454	3.7
123.08064	8.4
123.11701	23.2
125.09649	6.4
128.06186	2.5
129.07016	5.1
130.07785	2.2
131.04965	1.5
131.08562	41.4
132.08995	2.1
133.06514	2.0
133.10121	67.5
134.10506	2.2
135.08051	5.7
135.11699	25.2
137.06017	1.5
137.09612	4.7
137.13316	2.8
139.11208	2.3
142.07771	5.1
143.08569	13.9
144.09386	3.2
145.10120	67.7
146.10710	1.7
147.08095	4.4
147.11678	49.5
149.05984	1.9
149.09642	4.2
149.13246	23.1
151.07614	2.7
151.11180	4.2
153.09106	7.0
155.08629	3.4
156.09357	4.1
157.10121	20.5
158.10887	2.6
159.11682	47.9
159.12959	2.5
160.12146	2.4
161.06009	4.7
161.09618	6.6
161.13252	30.4
163.07706	2.0
163.11215	4.9
163.14816	24.9
165.09157	2.4
165.12848	1.9
167.08586	2.5
167.10681	1.9
169.10190	5.1
170.10893	4.5
171.11668	16.0
172.12378	2.9
173.09639	1.7
173.13264	31.8
174.13684	2.4
175.07576	1.6
175.11237	5.0
175.14821	44.1
176.11925	1.7
176.15182	2.6
177.05482	2.5
177.09090	3.1
177.12827	3.9
177.16383	36.3
178.16679	2.0
179.10724	1.8
179.14355	2.4
183.11736	5.1
185.13287	12.6
186.13940	1.8
187.07657	2.0
187.14816	61.1
188.15202	3.5
189.12804	6.9
189.16376	68.4
191.14299	29.6
191.17934	15.5
193.12265	2.0
193.15929	2.9
197.13245	4.7
199.14833	19.2
201.12770	2.7
201.16368	50.2
202.16794	2.1
203.07063	4.3
203.14328	15.8
203.17944	67.4
204.18289	4.4
205.15878	58.9
205.19385	9.1
206.16255	4.4
207.17430	3.9
209.13228	1.7
211.14804	3.6
213.16379	19.1
215.14391	4.2
215.17924	19.8
217.15898	16.4
217.19568	6.3
219.17448	17.4
221.15408	5.8
221.19107	2.6
223.14854	1.8
225.16393	4.1
227.18018	4.5
229.15889	5.6
229.19528	3.4
231.17468	8.9
233.15343	1.7
233.19058	4.2
235.16965	8.7
239.18059	2.6
241.19566	5.4
243.17421	3.0
243.21130	3.9
245.19049	2.8
247.16846	7.6
249.18550	6.7
253.19572	3.8
255.21234	2.3
261.18591	5.0
267.21130	3.0
269.22562	1.9
271.09885	1.5
283.09540	2.6
283.20563	1.8
283.23907	1.9
299.23471	1.8
311.23672	5.0
325.10553	1.9
379.33490	4.8
389.32126	10.1
407.33075	53.2
408.33505	3.6
423.32669	8.0
425.34311	6.9
435.32690	12.0
442.71860	1.8
453.15320	2.6
453.24634	8.6
453.34216	26.4
454.24854	1.9
454.34027	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	453.3362
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.03939	3.7
55.05508	20.4
55.43264	2.5
57.07068	6.9
67.05503	29.6
68.67198	2.4
69.07069	30.9
70.64297	5.0
73.94027	2.4
79.05488	24.4
81.03417	2.7
81.07057	55.5
83.04968	2.8
83.08619	18.2
85.06544	3.9
91.05470	26.8
93.07047	48.7
95.04971	4.4
95.08607	83.3
97.10178	6.3
105.07028	57.7
107.08592	85.7
108.08995	2.7
109.06527	3.9
109.10162	36.1
111.04407	2.1
111.08103	7.1
117.07008	12.5
119.08577	100.0
120.08913	4.3
121.06506	3.3
121.10137	63.9
123.08087	5.2
123.11713	16.6
128.06229	3.6
129.07013	6.4
131.08571	27.7
133.10124	62.8
135.08087	5.1
135.11691	36.0
137.09572	2.9
137.13277	10.7
139.07622	2.7
142.07846	4.9
143.08575	17.7
145.10127	50.6
147.08115	3.3
147.11673	36.9
148.12022	2.9
149.09686	2.5
149.13257	26.7
153.09088	3.4
155.08525	3.6
156.09396	4.6
157.10107	27.0
158.10835	5.0
158.31784	2.7
159.11690	43.9
161.09676	2.7
161.13284	30.2
162.13541	2.6
163.11201	3.6
163.14828	21.1
169.10127	9.4
170.10838	2.9
171.11693	28.1
173.13255	32.8
174.13605	2.6
175.11183	3.5
175.14827	68.4
176.15237	4.1
177.09111	3.3
177.12811	3.6
177.16371	36.7
179.14226	3.6
183.11748	8.7
185.13290	18.1
187.14821	41.3
189.12779	6.9
189.16389	49.0
190.16711	4.1
191.10690	3.0
191.14282	3.3
191.18007	6.8
193.12180	3.8
193.15932	6.8
195.11679	2.9
197.13249	9.0
199.14789	20.0
201.16374	58.3
202.16811	3.7
203.14354	2.9
203.17979	13.7
205.15955	8.6
207.17435	6.5
211.13138	2.8
211.14899	5.8
213.16400	37.2
215.14508	3.9
215.17937	27.4
217.12318	5.6
217.15858	7.2
217.19467	2.8
219.17453	8.1
221.15318	2.8
223.14905	2.8
225.16383	7.3
227.17926	19.7
229.15942	3.2
229.19498	14.9
231.17381	12.0
233.15462	3.6
233.19020	5.7
235.16983	4.0
239.17953	10.5
241.19547	9.6
243.21190	4.3
245.15512	4.3
245.19072	6.5
247.16963	10.0
251.17982	4.3
253.19550	10.6
255.21178	3.9
255.92545	2.6
259.16956	16.1
261.18570	4.6
265.19492	3.1
267.21060	2.8
271.16855	3.3
273.18579	11.8
275.19934	4.9
279.23373	3.0
285.18567	3.9
287.20084	3.7
299.20087	6.5
313.21619	4.0
327.23236	3.2
341.24429	2.7
365.24609	4.6
389.32098	15.4
390.32297	3.3
395.29425	3.5
407.33151	35.3
408.33365	3.6
435.27008	3.8
435.32642	63.3
436.32941	4.3
453.16721	88.6
453.33948	61.1
454.17062	7.7
454.33823	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	453.3362
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.03928	3.3
55.05513	21.9
57.07059	5.0
59.04978	2.1
65.03919	2.4
67.05503	28.1
68.05834	2.4
69.03431	3.8
69.07060	27.3
69.12779	2.8
69.13185	14.6
69.43968	1.7
71.04986	5.7
71.08634	2.0
79.05487	26.5
81.07051	57.4
82.07401	2.3
83.04971	10.2
83.08607	13.4
91.05469	33.8
93.07033	50.7
95.04953	8.0
95.08599	80.5
97.06525	7.4
97.10146	7.3
99.08038	3.1
105.07020	66.2
105.07729	4.0
107.08585	82.1
108.08874	3.5
109.06526	13.1
109.10145	43.3
110.64862	2.1
111.08070	10.2
114.38435	1.6
115.05421	2.4
117.07001	10.4
119.08572	85.7
120.08865	3.3
121.06477	5.5
121.10136	58.4
123.08066	11.4
123.11701	20.9
125.09612	9.9
128.06239	2.2
129.06989	6.1
130.07822	2.2
131.07655	3.2
131.08562	34.1
133.10110	61.1
134.10484	2.2
135.08037	7.9
135.11678	31.0
137.09593	7.2
137.13234	5.5
141.06924	2.2
142.07773	3.0
143.08543	20.4
144.09323	4.4
145.10117	54.2
146.10437	2.0
147.08043	4.1
147.11678	39.5
149.09579	9.6
149.13264	21.6
151.07481	2.1
151.11165	5.8
155.08572	4.7
156.09317	4.3
157.10109	22.0
158.10832	4.3
159.08102	3.9
159.11673	44.1
159.12933	3.2
159.89824	2.0
160.12163	2.5
161.09599	7.6
161.13254	31.7
161.67766	1.9
163.11192	9.3
163.14799	18.7
165.09013	2.6
165.12752	3.9
169.10143	10.1
170.10863	2.0
171.11681	15.5
173.09636	5.6
173.13235	32.9
174.13564	2.0
175.11168	7.2
175.14807	32.7
176.15129	2.8
177.12767	8.8
177.16348	19.4
179.10645	2.5
179.14290	2.6
181.10233	2.7
182.10745	2.9
183.11685	12.5
184.12407	2.4
185.13240	10.4
187.11151	6.1
187.14804	42.2
188.15099	1.8
189.12770	6.0
189.16370	44.3
191.14305	12.4
191.17970	10.4
193.15877	4.7
195.11687	3.4
197.13194	6.2
199.11153	2.4
199.14825	16.8
200.15274	2.1
201.12688	4.6
201.16368	41.4
202.16765	2.2
203.14302	3.4
203.17926	20.9
205.12215	2.7
205.15848	17.0
207.13849	2.1
207.17433	5.7
209.13167	3.8
211.11423	2.0
211.14870	7.6
213.12791	3.5
213.16345	24.6
215.14316	7.1
215.17905	21.6
217.12265	3.5
217.15872	15.3
217.19392	8.9
219.17432	16.8
223.14796	3.2
225.16325	5.3
227.14235	3.5
227.17902	6.0
229.12219	3.6
229.15791	3.9
229.19548	5.1
231.13850	4.7
231.17494	3.1
233.15295	5.1
233.19116	2.2
235.16887	2.6
237.16373	2.9
239.17978	3.4
241.19435	10.7
243.17514	3.3
245.15211	2.3
245.22594	4.0
247.17001	4.8
249.02412	1.9
251.17992	2.2
253.19444	6.8
255.21033	4.1
257.18857	4.1
257.22580	3.1
259.16977	2.9
261.18552	5.2
267.21188	10.7
279.20709	3.0
281.22473	3.6
283.20416	2.3
299.20038	3.3
313.21826	2.9
327.23120	2.3
371.25632	2.0
389.32373	10.6
407.33286	35.2
408.33652	3.2
409.34744	9.4
416.54932	2.2
425.30420	3.4
435.33005	27.0
452.27432	2.0
453.33975	100.0
454.33307	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	453.3362
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.03954	4.1
54.14565	2.3
55.05517	17.5
57.07084	10.8
65.03941	3.3
67.05502	27.4
69.07075	26.4
69.28971	17.5
70.80102	2.0
79.05499	22.2
80.28767	2.0
81.07061	64.4
81.86304	2.6
82.06792	1.9
82.07392	3.1
83.08212	2.8
83.08607	13.8
83.79296	1.9
83.85712	2.0
91.05480	22.9
93.07050	48.3
93.07604	3.0
93.74747	2.0
95.04989	4.1
95.08610	97.1
97.06546	4.7
97.10198	7.0
98.22644	4.5
99.08113	2.8
105.07036	65.6
107.08601	71.4
109.06511	3.6
109.10166	37.1
111.08113	3.1
115.05503	4.0
117.07003	12.9
119.08583	83.4
120.08885	2.3
121.10158	66.6
122.10444	2.4
123.08078	5.9
123.11719	19.2
125.09662	3.4
128.06259	5.1
129.07048	8.5
131.08562	34.1
133.10130	58.5
134.10585	2.5
135.08102	4.6
135.11703	42.7
137.13252	20.6
139.11180	3.9
141.07013	2.4
141.25313	2.2
142.07840	4.9
143.08575	18.9
144.09366	2.7
145.10121	57.0
145.11215	3.2
147.11682	34.9
149.13258	27.0
151.07524	2.7
151.11290	2.6
151.14781	2.1
153.09096	3.1
155.08586	5.2
156.09415	2.2
157.10136	35.3
158.10869	3.2
159.11697	43.6
159.12926	2.6
161.13263	30.3
162.51967	2.4
163.07611	2.5
163.14798	12.1
165.12819	4.7
169.10139	11.2
170.10890	4.1
171.11716	24.4
172.12425	4.0
173.09581	2.5
173.13263	26.8
175.11388	2.6
175.14839	35.5
177.09157	5.5
177.12790	3.2
177.16386	29.4
179.14342	7.6
181.10173	2.3
183.11755	11.5
184.12543	3.1
185.13269	16.6
186.13908	2.5
187.14824	60.5
189.12801	3.4
189.16402	41.7
191.17928	12.9
193.15958	9.2
195.11732	5.6
197.13316	9.8
199.14827	29.4
201.16397	66.1
202.16728	3.5
203.14456	2.5
203.17967	30.6
205.15997	9.0
207.17372	3.7
209.13342	3.6
211.14862	9.9
213.16368	19.1
215.17986	15.9
217.12387	5.6
217.15915	4.8
217.19475	2.5
219.17517	8.2
221.15437	2.5
223.14838	5.2
225.16483	9.8
227.14511	2.7
227.17986	11.4
229.15903	5.7
229.19560	3.6
231.17563	5.8
233.19067	10.7
237.16411	3.8
239.18013	8.4
241.19717	3.4
247.17014	14.1
249.18661	4.6
251.18004	6.0
253.19691	3.7
255.21136	2.3
265.19650	2.8
267.21112	5.3
277.19647	3.5
281.22812	3.6
293.22656	5.7
299.20276	3.6
311.23825	7.4
321.25708	6.3
327.23346	5.8
367.26456	9.8
389.32117	19.9
395.29395	3.7
407.33237	27.3
408.33511	3.0
435.32751	49.9
436.33194	4.8
453.33783	100.0
454.33923	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	453.3361
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.03940	4.2
53.45562	2.3
55.05508	25.2
55.96567	2.4
57.07078	8.4
65.03946	3.3
67.05502	27.9
69.03431	3.6
69.07061	30.2
70.59991	7.5
71.04982	3.5
74.36730	2.5
79.05492	27.3
81.07050	60.9
83.04982	14.3
83.08613	16.4
89.06050	4.9
91.05475	31.3
93.07040	56.2
95.04981	7.3
95.08601	81.1
95.09181	4.7
96.08949	2.5
97.06554	7.2
97.10177	7.3
99.08084	4.0
103.05501	3.6
105.07018	63.5
107.08598	81.7
107.09324	4.2
108.08931	4.4
109.06544	9.3
109.10149	36.8
111.08067	11.7
117.07051	10.9
119.08573	88.6
119.09371	4.8
120.08952	3.0
121.06507	2.8
121.10146	64.0
121.10946	4.5
123.08109	7.3
123.11707	20.9
125.06102	2.6
125.09670	7.5
126.17284	2.6
129.07065	6.9
130.07793	4.7
131.08574	31.0
133.10127	61.4
135.08080	7.7
135.11697	37.6
135.12646	4.1
137.09648	6.1
137.13297	4.5
138.40347	2.5
139.11227	5.5
143.08557	16.5
144.09389	4.9
145.10107	57.9
145.11159	3.6
146.10495	2.9
147.08072	5.4
147.11679	38.4
149.09653	6.5
149.13242	22.9
151.07596	6.9
151.11215	5.8
151.14853	2.7
153.09111	3.5
155.08601	3.5
157.10141	20.4
158.10912	4.9
159.08022	3.1
159.11687	47.4
159.12909	3.6
161.09648	8.7
161.13271	23.5
163.11200	6.4
163.14821	14.0
165.09128	2.9
165.12805	2.6
169.10196	6.4
171.11681	13.3
173.09692	5.3
173.13261	25.9
175.11250	6.4
175.14845	35.0
177.12814	5.8
177.16367	12.7
181.10188	3.5
183.11751	8.1
185.13239	13.1
187.11371	3.4
187.14816	43.2
188.15198	2.9
189.12798	4.5
189.16380	42.9
190.13573	3.4
191.14381	7.9
191.17953	15.5
195.11800	4.1
197.13374	9.1
199.14842	15.7
201.12747	3.0
201.16382	52.5
203.14368	5.9
203.17912	14.7
205.15968	16.4
207.17574	5.6
211.14902	5.9
213.16365	21.3
215.14423	4.6
215.17967	19.1
217.15836	11.3
217.19592	3.0
219.14012	3.2
219.17445	32.9
225.16370	5.5
227.18077	6.4
229.16080	3.6
229.19618	3.9
231.17563	7.1
233.15463	3.1
233.18967	5.9
235.16887	13.7
239.17973	3.9
241.19641	7.1
243.21143	3.7
245.15512	3.8
245.19154	3.8
247.16959	11.5
251.18227	3.5
253.19661	9.2
257.19125	3.5
259.16983	4.1
261.18661	4.5
267.21289	6.9
269.22394	2.3
275.20145	3.5
281.22815	2.8
299.20126	4.4
327.23108	2.8
351.23105	2.6
353.24942	2.6
389.32156	16.3
393.28021	3.0
397.27509	21.0
407.33112	51.4
408.33649	5.0
409.30695	3.9
417.31943	3.8
435.32614	47.9
436.33249	4.1
453.33853	100.0
454.34167	9.0
456.23062	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	453.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	18.6
57.07085	6.3
65.65397	2.7
67.05499	26.3
69.03414	3.5
69.07072	29.8
71.04996	2.9
79.05491	21.0
81.07054	56.6
83.04988	4.2
83.08618	12.2
91.05476	28.6
93.07047	45.3
95.05035	3.3
95.08604	82.8
95.09200	4.2
97.06541	4.4
97.10191	6.5
105.07028	61.9
107.08591	70.3
109.10152	38.9
109.10858	3.2
111.08098	6.4
117.07056	11.0
117.50386	2.8
119.08580	100.0
120.09004	2.5
121.10145	65.0
121.10971	4.4
123.08125	7.7
123.11681	19.1
129.07050	9.5
131.08566	36.7
133.10127	71.0
135.08101	4.4
135.11694	35.2
137.09705	4.1
137.13255	15.8
139.11273	2.6
142.07817	5.1
143.08562	17.6
144.09384	4.9
145.10121	64.4
145.11188	4.2
147.11687	35.9
147.12701	3.0
149.09685	5.1
149.13232	21.3
152.49248	2.5
153.09195	3.2
155.08646	4.3
156.09361	3.7
157.10138	35.4
157.11362	2.6
158.10901	5.7
159.11684	51.5
160.12074	4.0
161.13245	35.3
163.07637	3.7
163.11224	4.9
163.14819	16.5
169.10159	12.3
171.11697	25.5
172.12437	4.5
173.13266	31.1
175.14819	35.8
176.15279	2.6
177.09172	4.4
177.12758	3.3
177.16364	26.5
179.14394	10.0
181.10056	4.4
183.11598	11.8
185.13239	17.1
187.14815	67.0
188.15286	3.1
189.12842	3.7
189.16359	44.6
191.14383	4.2
191.18005	6.5
193.16006	9.4
195.11696	3.6
197.13342	10.3
199.14813	30.7
201.16385	67.3
203.14323	4.1
203.17966	23.8
205.15977	10.4
205.19606	2.9
207.17538	4.2
209.13280	3.8
211.14948	8.8
213.16385	20.3
215.14417	2.6
215.17955	18.1
217.12337	8.3
217.16008	6.5
219.17421	11.8
221.15295	4.2
223.14879	3.5
225.16504	9.6
227.18086	9.9
229.16063	4.8
229.19490	3.6
231.17574	8.4
233.15565	3.8
233.19159	9.8
235.17067	6.4
237.16533	3.5
239.17987	3.2
241.19637	5.9
243.17535	3.5
243.21280	3.1
245.15553	4.6
247.16843	13.5
248.87801	2.5
251.18005	6.4
253.19611	5.6
259.20627	3.4
271.20816	2.8
279.20978	3.5
281.22559	4.0
285.22314	2.4
293.22739	4.1
299.20071	3.1
311.23917	7.1
321.25861	10.0
327.23132	3.3
367.26306	13.3
368.14471	2.8
389.32092	22.1
393.28165	3.3
407.33255	26.1
408.33536	3.4
417.31326	2.7
435.32657	56.8
436.33258	4.8
453.33896	91.5
454.34171	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	453.3363
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.03950	3.3
55.05511	19.4
57.07062	6.9
64.09660	2.0
67.05510	32.5
69.07067	28.2
76.16136	2.1
79.05495	19.8
81.07060	46.7
83.05013	3.1
83.08632	12.4
86.68398	1.9
91.05482	23.2
93.07044	47.5
95.04970	3.4
95.08608	100.0
96.08926	2.8
97.06537	2.9
97.10168	5.3
103.05501	2.6
105.07032	57.3
107.08602	74.5
109.06525	4.7
109.10159	60.5
111.08060	4.0
111.11716	3.6
112.31682	2.5
117.07050	11.1
119.08588	74.3
120.08900	2.7
121.06501	4.8
121.10149	62.7
122.10474	2.3
123.08062	3.5
123.11724	36.6
125.09657	2.9
129.07010	7.7
131.08582	31.2
133.09183	4.1
133.10138	68.0
134.10500	2.4
135.08044	7.2
135.11684	25.4
137.13213	4.1
142.07770	4.6
143.08591	16.3
145.10129	52.2
147.08086	12.0
147.11696	29.9
149.09625	4.5
149.13271	28.2
153.09164	3.1
155.08560	6.5
156.09184	3.2
157.10132	28.4
159.11705	39.2
160.12141	2.4
161.09682	4.6
161.13264	21.4
162.13617	2.3
163.07692	2.3
163.11150	3.0
163.14832	18.4
169.10100	10.0
171.10341	3.0
171.11700	25.8
172.12160	2.5
173.13263	32.7
175.11229	3.3
175.14833	39.7
177.09305	2.6
177.12787	2.3
177.16341	18.4
183.11681	7.8
185.13300	14.6
186.13885	2.3
187.11150	3.5
187.14815	30.8
189.12808	2.5
189.16403	33.1
191.17950	6.0
193.12167	3.1
193.15894	3.7
195.11687	4.0
197.13245	7.9
198.13895	2.5
199.14813	21.0
201.14769	2.8
201.16400	41.0
203.14212	3.7
203.17978	6.3
205.15866	4.2
209.13252	4.6
211.14806	6.4
213.16350	22.7
215.14316	3.0
215.17924	19.3
217.15866	8.4
217.19389	2.3
219.17409	5.2
221.15367	2.9
223.14822	5.3
225.16435	7.9
227.17917	17.5
229.06177	2.8
229.19543	12.4
231.17464	9.4
233.15356	2.7
233.19116	2.7
235.16885	3.7
237.16234	3.9
239.17964	5.7
241.19456	11.2
243.17432	3.3
243.21155	5.8
245.19070	4.5
247.16945	6.2
251.17918	3.6
253.19621	10.7
255.20988	5.7
257.19012	5.1
259.16943	4.8
259.20413	2.9
261.18390	6.9
265.19363	4.5
267.21045	20.3
269.19775	2.0
269.22577	12.1
273.18564	4.0
279.20892	4.5
281.22726	4.1
285.22101	9.5
287.20181	3.7
287.23746	2.6
293.22623	5.2
299.20035	4.9
303.19522	5.6
311.23624	5.2
313.21646	3.9
313.25256	2.7
315.23206	2.5
325.21661	2.9
327.23352	3.7
327.26996	3.7
339.23120	3.3
339.79584	2.0
349.29117	3.1
353.24744	2.8
363.30411	6.1
389.32092	30.9
390.32074	2.2
407.28064	4.2
407.33151	70.0
408.33450	5.4
408.48056	2.4
425.34045	8.5
435.32645	58.0
436.33051	5.6
453.33853	73.1
454.33722	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	453.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61615	1.8
54.35492	1.7
55.05505	16.5
57.07079	6.4
65.03928	2.6
67.05508	22.6
68.85232	1.7
69.03432	7.7
69.07062	29.5
69.24783	11.9
69.25194	3.1
71.05003	2.0
79.05490	21.9
81.07051	54.7
82.07375	2.1
83.04990	7.6
83.08607	12.3
91.05472	24.5
93.07042	49.4
95.05011	5.4
95.08601	65.0
95.09187	3.2
96.08919	1.8
97.06552	6.5
97.10193	7.1
98.23289	3.6
99.08101	3.8
100.11236	2.4
101.27474	1.7
105.07025	55.0
105.07719	2.8
106.07371	3.1
107.08585	65.4
109.06537	7.1
109.10151	36.9
110.10516	1.9
111.08064	4.7
117.07042	8.3
119.08577	75.4
120.08935	4.6
121.06551	6.0
121.10137	49.7
121.10942	3.0
122.10508	2.7
123.08127	6.9
123.11707	20.6
125.09658	8.4
127.11230	2.6
129.06995	4.0
131.08574	26.5
133.10123	42.1
134.10464	3.4
135.07986	9.4
135.11691	32.9
137.09641	3.7
137.13304	6.9
139.07567	2.4
139.11250	3.1
142.07718	2.2
143.08554	15.5
144.09398	3.6
145.10114	48.1
145.11183	2.7
147.08080	5.5
147.11676	36.4
149.09628	9.0
149.13257	23.4
151.11223	1.9
155.08600	5.4
156.09424	4.4
157.10138	15.8
159.08122	4.1
159.11685	35.6
160.12225	2.0
161.09621	5.0
161.13243	23.9
163.07596	3.1
163.11226	8.1
163.14832	14.7
165.12793	2.7
169.10187	7.1
169.55585	2.5
170.10893	2.5
171.11708	20.6
173.09624	3.3
173.13242	32.0
175.11261	5.6
175.14836	33.0
177.09148	2.3
177.12772	4.5
177.16376	15.5
178.19060	2.0
179.14326	4.3
181.10144	2.9
183.11685	9.3
185.13220	19.1
187.11266	3.3
187.14807	46.0
189.12759	3.2
189.16382	40.6
191.14427	7.6
191.18039	5.8
193.15924	4.0
193.17554	2.0
195.11772	5.6
196.12480	2.4
197.13272	10.4
199.14824	19.3
201.12877	5.6
201.16374	31.1
203.14340	7.1
203.17891	14.0
204.18254	2.3
205.15825	11.5
207.17574	3.5
209.13293	6.8
211.14912	8.8
213.12717	2.5
213.16315	13.0
215.14355	3.1
215.17932	17.8
217.15851	11.2
219.14023	2.7
219.17467	12.0
221.13451	2.4
221.15508	2.2
223.14836	3.4
225.16455	7.5
227.17964	11.2
229.15965	4.2
229.19615	7.1
231.17616	5.7
233.15445	3.9
233.19102	6.9
235.17061	2.9
239.17986	4.2
241.19682	7.6
243.21384	3.2
245.15472	4.3
245.19206	3.0
247.17070	5.1
251.17987	3.7
253.19447	12.4
255.21259	3.2
257.15442	2.8
257.19104	3.6
259.16974	5.3
260.85760	1.9
265.19650	5.5
267.21307	4.9
271.20587	2.8
273.18533	2.1
281.22482	3.1
297.18747	2.8
299.20166	3.9
319.24353	2.5
337.25443	2.0
389.32025	14.4
390.32547	2.1
393.28134	3.0
407.33121	53.0
408.33539	4.2
409.34912	3.3
435.32709	30.9
436.32928	5.6
453.33835	100.0
454.34125	11.2
470.50165	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79201	0.7
53.03936	2.3
53.86491	0.6
55.01878	3.5
55.05507	29.3
57.03440	3.9
57.07067	3.8
59.05002	0.8
61.39437	0.6
63.19347	0.7
65.03934	2.6
67.05500	74.6
69.03418	2.1
69.07063	60.3
69.20972	3.7
69.21391	2.0
70.07384	0.7
71.04992	7.5
71.08630	1.7
73.06545	0.9
77.03923	0.9
79.05489	45.0
80.05759	1.0
81.03394	1.0
81.07050	100.0
82.07394	2.5
83.04975	10.1
83.08614	14.5
85.06538	5.3
85.10162	1.0
85.14356	0.6
91.05470	22.6
92.05814	1.3
93.07038	62.9
93.26456	0.6
94.07378	2.1
95.04964	4.5
95.08598	86.5
96.08932	2.9
97.06522	17.0
97.10158	13.1
98.23380	0.9
99.08067	2.6
103.05444	0.8
105.04530	1.4
105.07025	21.1
107.08030	0.7
107.08586	34.2
109.06533	4.6
109.10151	43.6
110.10495	1.1
111.08062	5.4
111.11717	5.6
112.40128	0.7
113.09657	1.6
117.07005	5.9
119.08580	23.5
121.06495	1.6
121.10136	54.7
122.10440	1.8
123.08054	3.9
123.11697	16.5
125.09577	3.8
129.06976	0.9
131.08566	14.9
133.10109	19.1
135.08037	3.0
135.11688	22.6
137.09612	4.6
137.13231	5.1
139.11166	33.8
140.11546	0.9
142.07802	1.2
143.08559	2.8
145.10115	16.8
146.10532	0.8
147.08090	1.5
147.11676	14.8
149.09631	2.7
149.13249	11.7
151.11189	3.3
151.14789	2.4
153.09132	0.8
153.12744	2.1
155.08556	1.0
157.10107	4.2
157.12222	4.9
159.11678	12.9
161.09653	2.2
161.13246	13.8
163.11186	3.5
163.14795	7.4
165.12769	2.3
167.14426	0.9
169.10155	2.4
171.11722	3.3
173.11813	1.7
173.13243	10.2
174.13753	0.9
175.11182	1.7
175.14821	7.4
177.12744	1.7
177.16374	2.6
179.14259	3.4
181.10161	1.0
181.12270	1.5
183.11656	1.9
185.13187	3.7
187.11195	1.5
187.14789	7.3
189.11220	0.9
189.16394	6.3
191.14334	2.5
191.17961	1.9
193.15929	1.0
195.11699	0.7
197.13277	2.4
199.14856	3.9
201.12761	1.0
201.16376	9.0
203.14270	1.2
203.17952	2.7
205.15822	4.1
209.13408	0.9
209.15372	1.6
209.18843	1.0
211.14987	0.9
213.16391	3.1
215.14337	0.9
215.18005	3.1
217.12271	0.8
217.15775	3.5
219.17451	2.5
223.16946	1.5
227.17976	1.3
229.15820	0.9
229.19455	1.1
231.17357	1.2
231.21097	0.9
233.22614	1.2
235.16948	0.9
237.18562	1.0
239.17989	1.3
241.15791	1.4
241.19579	1.9
243.21056	9.6
245.19035	1.0
247.16989	1.4
253.19522	1.2
259.20587	2.2
261.18964	1.2
261.22128	24.2
262.22449	1.2
273.18634	0.9
274.30600	0.8
277.21558	1.0
279.23178	55.0
280.23538	3.8
297.24213	13.5
298.24747	1.1
381.31552	2.4
389.32166	1.2
399.32599	15.6
400.33008	1.9
407.33295	5.8
417.33624	23.3
418.34036	1.7
435.34741	18.0
436.34631	1.8
453.33679	13.7
454.33621	1.2
457.67795	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.6
55.01871	4.0
55.05514	32.1
55.38523	0.8
57.03424	3.6
57.07075	5.0
65.03936	3.8
67.05508	76.6
69.03415	2.4
69.07071	55.0
69.83646	0.7
71.05004	7.7
71.53535	0.8
73.06539	1.5
78.67633	0.9
79.05494	45.0
80.05812	1.0
81.07059	100.0
82.07384	2.8
83.04986	10.3
83.08622	14.6
85.06538	6.1
87.04469	0.9
91.04955	1.3
91.05489	24.3
93.07049	61.1
94.07372	1.3
94.82320	0.9
95.04998	3.9
95.08609	91.5
96.08935	3.2
97.06535	16.9
97.10169	15.1
99.08083	2.4
101.06033	0.9
105.04540	1.1
105.07034	22.2
107.04996	0.9
107.08598	30.0
109.06516	2.4
109.10159	34.0
111.08087	5.1
111.11763	3.7
115.07547	0.8
117.07024	4.8
119.08588	23.1
121.06517	1.7
121.10146	48.4
122.10476	1.8
123.08070	2.5
123.11709	15.1
125.09627	3.5
129.07014	2.5
129.09120	0.7
129.20280	0.8
131.08566	16.0
133.10129	15.9
135.08086	3.9
135.11697	21.3
137.09625	4.7
137.13251	6.7
139.11182	27.5
141.09084	0.8
143.08572	2.4
145.10117	15.8
146.95499	0.8
147.08057	0.9
147.11682	13.5
149.09567	3.9
149.13264	9.3
151.11145	3.4
151.14839	2.6
153.09103	1.0
153.12747	1.5
155.10692	0.9
157.10123	3.0
157.12228	6.0
159.11703	10.5
161.13271	11.5
163.11118	1.7
163.14844	6.6
165.12753	2.3
167.10719	1.4
171.11694	2.8
173.13271	8.1
175.11229	1.0
175.14813	7.1
177.12788	2.1
177.16389	2.7
179.14333	3.5
181.12320	1.0
183.11658	1.3
185.13200	2.2
187.13248	1.3
187.14795	7.2
189.12859	1.2
189.16365	3.2
193.15866	1.3
195.13739	1.9
197.13292	1.0
199.14806	1.9
201.12756	2.0
201.16391	5.0
203.17990	2.0
205.15883	1.6
209.15376	1.2
213.16402	1.6
215.17935	1.8
219.17293	1.0
223.16954	1.8
227.17917	1.3
232.19077	0.8
243.21101	8.6
244.21286	1.2
253.19553	1.4
259.20483	1.6
261.22119	23.7
262.22531	2.2
277.21570	2.0
279.23203	29.5
280.23462	2.7
282.39117	1.0
297.24182	3.4
319.24197	1.0
381.31400	1.4
399.32562	7.5
400.32928	1.4
407.33154	2.6
417.33636	14.7
418.34048	1.2
435.34702	5.3
453.35922	20.6
454.35608	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	453.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54995	1.7
55.05505	7.6
57.07077	4.4
66.19963	1.5
67.05506	13.5
69.07066	13.5
70.99392	2.6
71.04993	2.2
71.08617	3.2
72.93068	1.5
74.54077	1.6
79.05490	7.2
81.07053	22.6
83.08604	5.8
89.06031	4.5
91.05475	28.6
93.07043	17.1
95.08601	42.9
97.10171	4.7
105.07024	31.7
107.08589	24.2
109.06561	1.9
109.10156	22.9
117.07035	2.8
119.08585	37.3
121.10136	20.7
123.11700	7.4
129.07051	1.8
131.08571	7.1
133.08578	2.5
133.10123	36.4
135.11676	19.1
137.13242	4.9
145.10118	7.7
147.11668	27.4
149.13213	9.9
157.10178	2.1
159.11734	6.4
161.13245	10.4
163.14801	5.4
171.11604	2.1
173.13260	4.9
175.14879	7.7
177.16344	6.6
185.13284	2.5
187.14790	9.4
189.16371	100.0
190.16716	7.4
191.17909	15.3
200.93546	1.6
201.16347	8.6
203.17926	22.8
213.16411	2.1
215.17885	3.2
217.19508	3.5
229.19514	3.6
231.21106	2.0
239.14900	2.5
243.21188	3.0
255.21127	1.6
257.22513	2.9
282.94830	1.6
393.35220	11.7
407.33121	4.0
435.32971	3.9
453.33563	14.6
453.37604	6.1
454.33994	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.9
55.05258	1.8
55.05508	29.3
57.07068	1.9
57.40771	1.4
65.03916	1.9
69.03416	5.3
69.07063	3.5
70.06583	4.3
71.32613	2.3
79.05476	2.3
80.23633	1.6
81.03429	3.1
81.07053	3.6
82.06558	8.0
83.04970	6.6
83.08614	24.9
84.08125	3.0
85.02891	2.4
85.06551	1.8
86.71156	1.5
91.05454	2.8
93.07059	2.7
96.08185	1.6
97.02886	2.6
98.09679	2.8
100.07600	10.0
100.11252	83.3
101.11571	3.6
104.10792	1.9
105.07014	2.6
107.08582	2.3
107.23477	1.4
109.02849	2.8
110.06021	4.7
111.04446	18.9
112.07603	3.5
118.12267	4.4
121.02860	68.0
122.03129	1.9
123.04413	5.2
126.09126	3.4
128.07069	14.3
135.64200	1.4
137.05937	1.9
139.03889	26.3
139.08643	4.4
140.07050	5.6
151.03883	3.0
160.09352	1.5
167.07048	3.1
182.15411	47.3
183.15701	2.7
200.16362	2.2
203.05278	2.1
209.16495	18.2
210.12894	3.0
210.14905	50.9
210.16696	1.8
211.15260	3.8
226.19119	3.6
227.17526	7.4
228.15915	7.2
265.06979	7.6
283.08051	3.1
303.08572	1.7
304.08871	3.0
327.26370	2.2
336.22827	5.1
337.20956	3.4
389.81036	2.0
390.31503	2.4
435.33112	3.0
436.31723	27.6
444.83429	1.9
453.21109	3.1
453.34479	8.1
453.84250	4.9
454.22000	21.4
454.32761	100.0
455.22302	9.8
455.33087	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
55.05507	1.7
67.05497	1.1
69.03418	3.9
69.07082	2.0
70.30727	0.8
71.04980	0.9
71.31448	0.8
71.31823	1.1
73.02913	0.9
78.78445	0.7
79.01854	2.7
79.05492	1.7
80.05806	0.8
81.03415	8.1
81.07044	4.0
83.08632	1.0
85.02912	6.6
89.00995	0.8
90.80456	0.8
91.05499	1.9
93.07040	2.6
95.08604	3.9
96.08808	0.9
97.02898	5.1
99.04466	0.8
100.11267	2.6
105.07001	4.0
107.01281	1.0
107.08586	3.0
109.02877	4.7
109.10131	2.3
116.85695	0.9
117.07012	1.5
119.08582	2.7
121.10152	2.4
123.04433	1.6
124.04775	1.3
124.07664	0.9
125.02351	3.5
127.03909	7.8
131.08603	1.1
133.10123	1.4
135.11707	1.7
137.05998	1.2
141.05276	1.2
143.03407	5.1
145.04964	1.5
145.10141	1.4
147.04382	1.3
147.11691	1.6
153.01825	100.0
153.02866	4.5
154.02161	2.2
161.13287	1.5
171.02876	12.4
187.14873	1.7
189.16414	1.2
201.16302	1.2
203.05290	1.1
203.17932	1.3
207.06519	0.9
217.16023	1.4
237.03940	0.9
278.73254	0.8
297.06094	7.7
315.07077	14.3
316.07465	1.0
318.22638	0.8
337.16098	6.1
403.24826	0.8
454.20520	2.2
454.34262	3.1
455.22473	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	454.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.4
55.01879	17.7
55.05506	3.9
57.03434	2.3
57.07070	7.7
58.20619	1.5
59.04994	2.6
65.03935	1.8
65.57510	1.7
67.05492	6.2
68.99807	1.8
69.03437	10.4
69.07063	9.8
70.02940	7.3
70.06597	1.7
71.04975	4.6
71.32309	1.8
72.04514	27.1
73.02916	13.4
73.06552	4.4
79.05488	3.3
81.03416	21.6
81.07050	4.8
83.01338	4.4
83.04987	13.0
84.08186	1.7
85.02896	16.4
85.06528	11.5
86.09692	7.8
87.08104	4.0
90.05552	47.3
91.05475	2.6
93.07054	2.5
95.04996	12.0
95.08581	2.9
96.08115	3.8
97.02883	15.4
97.06517	3.4
98.02407	23.8
99.04448	8.0
100.03984	4.4
101.06010	4.4
103.07578	5.5
105.03370	2.5
107.04950	2.4
107.08571	4.0
109.02879	32.0
111.04467	2.3
113.06007	7.6
115.03901	1.8
116.03448	23.6
118.05003	2.3
119.49236	1.7
123.04447	4.6
124.07585	25.0
125.02271	2.0
127.03909	20.2
132.06544	9.0
132.10155	2.2
136.07573	1.9
137.05951	4.0
138.05537	2.8
139.03879	6.2
142.08658	17.3
145.04947	7.4
147.04396	1.9
151.03993	4.0
151.25449	1.6
153.01816	13.1
153.12738	8.5
154.02209	2.7
160.07567	1.9
160.09673	6.0
163.03896	2.4
163.08966	2.1
165.05540	2.5
166.08675	3.8
167.06960	1.8
172.09698	3.1
174.11256	4.6
178.05026	2.8
181.04956	4.6
181.08643	2.2
184.09689	35.0
198.07526	3.7
199.06038	7.1
202.10744	100.0
203.11302	3.1
204.54404	1.6
206.04503	3.9
211.07896	1.9
211.09683	8.2
216.08751	3.4
217.07101	6.8
220.11789	32.1
230.10255	10.4
234.09637	10.3
243.12201	2.1
244.11726	2.6
262.12857	17.0
271.11740	8.3
272.82117	1.6
289.12955	2.1
307.06708	1.9
310.12802	9.8
313.11749	2.9
328.13901	52.5
329.14297	3.1
346.14981	12.6
349.07660	1.9
364.16043	20.5
365.16290	3.1
380.01044	2.2
408.00745	2.7
418.20544	2.2
436.00058	4.3
436.22086	2.7
454.01123	8.2
455.15118	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	454.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	2.1
62.16444	0.8
67.39628	0.8
69.57087	4.6
78.04703	1.4
79.05482	2.0
81.07050	1.9
83.08597	1.0
88.63331	0.7
91.05474	1.7
93.07039	1.8
98.23281	1.1
100.11239	2.9
105.07033	1.6
106.04117	1.0
106.90347	0.8
107.04933	1.3
107.08572	1.4
107.62305	0.7
119.08603	1.4
121.06457	1.0
121.10125	0.9
123.04472	3.6
124.05190	1.4
131.08519	1.4
145.10168	0.9
147.11717	0.7
151.03885	1.2
152.04662	1.0
157.10054	1.0
159.10393	2.9
167.07028	100.0
168.07344	2.4
182.15344	1.3
193.08540	3.8
195.10078	1.0
195.11745	0.8
210.14841	1.4
211.09669	7.3
382.30817	1.6
410.30453	1.8
437.15747	0.8
453.84222	0.9
454.21170	5.7
454.33817	2.7
455.22952	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	454.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.9
65.77596	0.4
66.10571	0.3
69.07059	0.4
78.04711	0.9
78.45403	0.5
79.05517	0.6
90.64009	0.4
100.11237	1.3
100.19688	0.4
105.07027	1.1
106.04153	0.6
107.04929	1.3
114.09200	0.5
119.08578	0.5
120.25156	0.4
121.06472	0.4
123.04427	3.4
124.05167	1.1
133.06470	0.8
133.46231	0.4
135.08063	0.4
137.05983	0.4
149.05888	0.5
151.03935	0.6
152.04698	1.0
159.10464	0.7
161.06050	0.5
163.07475	0.4
167.07028	100.0
168.07367	3.6
179.07027	0.8
181.08578	0.5
182.15356	0.6
193.08598	3.8
193.54010	0.4
210.14854	0.8
211.09642	9.9
382.31180	0.6
410.30637	0.8
445.33853	0.4
450.29340	0.4
454.21207	1.4
454.34769	0.7
455.22183	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.0
55.01867	3.0
55.05509	6.5
55.14555	1.4
57.03438	36.8
57.07066	3.4
59.04992	1.4
61.02926	14.7
62.10417	1.2
64.13576	1.2
67.05495	7.1
69.03426	40.6
69.07069	24.5
69.22366	7.7
69.22776	4.3
70.07406	1.3
70.28420	1.2
71.01355	5.3
71.04990	9.7
73.02919	76.5
79.05491	4.1
81.03429	10.2
81.07051	9.6
83.01352	1.5
83.04976	3.0
83.08595	9.0
85.02903	100.0
86.03256	1.8
87.04463	5.0
91.03953	5.6
91.05474	5.9
91.93537	1.3
93.07044	6.1
95.04981	3.5
95.08612	6.5
97.02893	65.6
97.06526	1.6
97.10166	2.0
98.03239	1.4
99.04457	4.0
103.03947	1.4
105.07040	3.7
107.08585	7.2
109.02881	13.1
109.06513	1.5
109.10143	5.2
111.04431	2.3
111.08073	1.9
115.03927	44.3
117.07010	2.7
119.08567	5.5
121.10122	3.9
123.04391	1.8
123.08094	2.7
123.11718	4.1
127.03913	27.7
131.08551	3.6
132.06578	2.3
133.04974	15.6
133.10143	4.5
135.11665	4.3
137.13181	1.6
139.07562	3.9
143.14294	3.6
145.04956	42.4
145.10069	3.8
147.11699	3.0
149.02353	1.9
149.07587	1.5
149.13245	1.7
150.07607	6.4
151.07542	1.4
153.12723	3.5
157.10207	2.5
159.11650	2.4
161.06123	1.6
161.09586	1.6
161.13264	2.4
163.06018	15.0
167.14313	1.4
171.11806	1.7
179.14342	2.4
180.08698	1.7
183.13806	2.5
185.13219	2.1
187.14754	2.4
189.12814	1.6
193.04979	2.7
199.14983	1.8
209.15315	2.4
215.14339	1.4
223.06017	5.1
227.16351	1.6
233.15384	1.7
239.16368	2.6
241.07072	5.4
251.16357	1.7
259.08115	3.6
269.17517	2.7
287.18460	3.5
305.19495	2.9
406.31934	1.4
433.90921	1.5
454.24805	8.8
454.32993	5.1
455.20596	4.0
455.32162	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2924
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
50.04858	0.9
53.03943	1.1
55.05510	6.3
57.03436	3.8
57.07077	23.0
60.93822	1.0
62.05779	1.9
62.06088	26.1
67.05502	8.8
68.05816	1.1
69.07066	8.7
70.57378	3.0
71.04975	1.0
71.08267	1.8
71.08626	17.7
76.65093	1.1
79.05491	4.5
80.05821	1.3
81.07055	14.5
82.07378	1.5
83.04990	1.4
83.08619	6.8
85.06510	1.2
85.10184	8.2
89.05995	1.2
91.05477	4.9
93.07036	9.4
93.43929	1.0
95.08605	20.2
96.08927	1.6
97.06517	2.2
97.10163	3.2
98.98463	6.1
105.07025	8.3
106.07369	2.1
107.08591	9.4
108.08916	1.4
109.06473	1.2
109.10133	10.2
111.02052	1.1
111.08134	1.3
119.08572	11.6
120.08913	2.2
121.06531	1.2
121.10118	8.0
122.10505	1.2
123.08057	2.4
123.11709	4.6
131.08569	4.1
132.08888	1.8
133.10138	6.9
134.10550	1.5
135.11684	5.4
137.13335	1.2
139.11179	1.5
142.02623	1.4
143.08577	1.8
145.10129	7.8
146.10490	3.0
147.11702	4.6
148.11983	1.6
149.13261	2.8
155.01041	5.4
157.10101	3.1
159.11685	4.8
160.12065	1.6
161.09608	2.0
161.13281	3.2
163.14830	2.7
165.67630	1.1
169.10164	1.6
171.11707	1.4
173.02164	1.2
173.13266	2.7
175.14807	4.8
177.16408	2.3
178.16623	1.4
181.06439	2.1
183.11659	1.5
185.13211	1.4
187.14862	5.2
188.15187	2.4
189.12822	1.3
189.16400	4.1
190.16718	1.6
197.13208	1.3
198.05127	1.7
199.14937	1.1
201.16357	2.7
202.16751	1.8
203.18030	2.0
205.15950	1.7
207.17471	1.5
213.16328	1.2
216.06319	2.4
217.15926	1.4
219.17451	1.2
225.09070	1.9
233.15422	2.7
239.23750	2.5
241.19400	1.1
247.16908	1.1
253.19652	1.1
256.26285	2.3
282.27927	12.8
313.27350	100.0
314.27710	8.4
376.97202	1.1
390.32547	1.3
393.23859	4.9
408.33691	5.5
409.34625	1.3
436.27768	1.9
436.33023	3.1
437.30115	2.0
454.33249	10.8
455.31274	6.1
455.35699	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	454.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45237	5.7
55.01864	7.4
55.05516	9.6
57.03432	9.8
57.07069	19.1
67.05511	33.6
69.07068	18.6
69.32996	40.5
71.04983	15.7
71.08632	11.5
72.03993	5.1
79.05476	17.7
81.07063	39.7
83.04978	17.9
83.08631	10.5
89.06020	9.5
90.70718	4.9
91.05489	18.4
93.07024	15.2
94.61121	4.7
95.08607	43.2
97.06528	7.7
98.22586	9.5
99.08099	16.7
105.07039	25.1
107.08588	21.1
109.06532	10.3
109.10173	37.5
110.10486	5.8
111.04412	5.6
111.08168	5.7
113.09624	8.4
119.08567	15.6
121.10159	15.7
123.08057	18.1
125.09619	6.5
129.06963	6.0
131.08569	12.0
133.08630	6.7
133.10133	19.4
135.08052	21.0
135.11707	8.3
137.09581	9.0
139.11232	7.1
144.37108	4.9
145.10155	7.1
147.08040	12.4
147.11642	7.2
149.09630	14.4
149.13274	5.1
151.11176	23.7
157.10175	7.4
159.11678	8.0
161.09657	15.8
161.13239	6.0
163.14851	7.3
169.12294	5.4
173.13248	6.9
175.14772	6.9
183.11743	5.7
185.13362	7.9
192.96452	5.0
197.13235	6.0
203.14328	25.6
209.15433	6.1
224.91753	4.7
263.23727	6.9
272.88126	5.6
314.16086	5.7
315.26801	17.9
383.33139	18.6
401.34137	100.0
402.34528	12.0
419.35263	33.3
420.36221	6.3
437.34174	8.5
454.34161	16.3
455.35086	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	455.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	1.8
71.31297	0.9
71.31805	1.9
81.03378	1.0
82.99841	2.2
85.02904	2.1
88.70755	1.0
94.99844	1.2
98.04791	0.9
101.00872	15.6
101.37923	1.0
112.89603	18.3
113.00867	4.0
113.30367	1.0
115.02433	1.8
119.01916	29.0
127.02409	2.5
131.01904	24.0
133.03452	2.8
137.02946	3.2
139.02379	3.0
139.03934	1.1
143.01900	35.2
144.02075	1.7
144.16315	1.1
145.03458	12.3
147.01390	8.0
149.02925	2.9
153.01796	1.1
155.01886	58.3
156.02039	2.7
157.03476	8.9
159.01379	1.0
161.02954	45.7
162.03125	3.3
167.01901	6.8
169.03432	2.8
171.05058	1.8
173.02957	100.0
174.03136	7.0
175.04546	3.0
177.02400	1.4
179.01935	1.4
184.04485	1.7
185.02945	53.1
186.03102	2.8
187.04529	4.2
189.02371	1.1
191.03899	3.5
196.04556	1.5
197.02971	11.0
203.04005	39.1
204.04216	3.2
205.05554	0.9
215.03986	4.9
219.03040	1.2
221.05066	29.9
221.07144	2.0
222.05215	2.5
227.03941	5.2
231.03477	1.1
239.06175	4.2
245.05049	64.8
246.05260	4.3
249.04460	1.6
253.18414	1.0
257.05054	4.8
263.06107	8.8
264.06116	1.2
275.02463	17.9
275.06064	12.2
276.03064	1.2
276.06137	2.0
293.03561	40.4
293.07068	5.1
294.03659	4.2
305.07135	8.1
306.07111	1.2
311.04547	3.7
316.05304	1.4
335.08160	2.3
365.09229	5.3
383.10309	1.1
422.10138	1.1
424.43176	1.2
455.11230	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	455.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04252	1.5
71.31536	2.0
71.31934	2.3
76.91378	1.5
82.99835	1.8
85.02878	2.0
101.00861	12.2
112.89595	30.3
113.00863	3.3
115.02382	1.5
119.01901	27.1
120.02047	1.5
129.00348	1.4
131.01904	18.5
136.08347	1.5
137.02934	2.2
139.02365	2.3
143.01889	34.9
145.03445	9.5
146.78079	1.5
147.01384	5.8
148.04337	1.5
149.02919	3.8
155.01872	54.9
156.02037	2.9
157.03445	10.2
161.02943	52.9
162.03108	4.0
167.01883	7.1
173.02946	100.0
174.03084	6.1
175.04430	3.6
185.02937	55.3
186.03120	2.9
187.04497	3.3
191.04016	2.8
196.04619	2.8
197.02945	9.9
203.03976	32.9
204.04185	3.4
215.04103	7.1
221.05057	29.6
222.05232	2.1
227.03992	5.1
239.06145	2.7
243.92757	1.6
245.05055	62.8
246.05257	6.7
257.05020	5.1
263.06134	6.8
275.02454	17.0
275.06085	9.9
275.99310	1.6
276.02637	1.9
286.50482	1.9
288.70404	1.5
293.03531	47.0
293.07019	4.5
294.03680	5.0
294.06927	1.7
305.07156	5.9
311.04660	4.2
335.08505	2.8
365.09265	5.7
455.11203	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	455.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30583	0.7
53.59267	0.4
58.79065	0.3
65.60793	0.4
70.20113	1.2
75.14347	0.3
82.97613	0.3
94.92986	1.2
112.89597	100.0
114.89336	0.5
115.87014	0.4
118.08643	0.4
123.58500	0.3
173.03011	0.5
179.32274	0.4
179.72339	0.4
204.87050	0.9
206.86842	0.4
212.85172	5.3
214.85031	1.7
222.55328	0.4
224.98634	0.6
245.05167	0.6
245.95500	0.4
269.15738	0.3
275.02466	0.4
306.42441	0.4
371.13062	0.4
381.07745	1.2
448.09659	0.7
455.11591	80.4
456.11844	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	455.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11669	1.1
65.98141	1.0
69.03410	3.1
73.02888	1.4
79.01843	5.5
81.03402	5.3
85.02895	4.3
91.05505	1.4
96.88551	1.0
97.02893	4.9
103.03931	2.9
109.02847	3.4
115.05440	2.6
116.28905	1.1
123.04411	2.0
125.02353	4.4
127.03898	5.5
130.81873	1.1
133.02730	1.3
139.03871	3.2
143.03386	5.8
143.22525	1.1
147.04353	2.0
149.02109	1.6
153.01817	100.0
154.02158	3.5
161.06070	1.3
167.03375	1.7
167.07080	1.2
167.90721	1.2
171.02870	4.7
171.04262	1.5
175.03909	1.4
175.07683	1.5
177.05418	1.3
185.04199	2.1
203.07027	5.5
207.06506	2.4
229.10561	1.4
229.93294	1.2
231.06528	14.9
245.06348	1.7
249.07492	3.3
255.05020	2.9
262.48318	1.3
269.06104	1.1
285.09430	3.5
293.09848	3.8
297.05991	6.2
315.07108	2.3
419.89542	1.4
439.63126	1.2
455.11316	18.8
455.15665	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	455.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.0
53.03938	1.6
55.01871	1.4
57.03401	1.0
65.35876	0.8
67.05499	1.3
69.03425	3.3
70.97165	1.5
79.01840	4.0
81.03424	6.1
85.02905	6.6
91.05493	0.9
95.04953	1.4
95.08611	2.4
97.02908	6.6
98.22703	0.9
99.04416	1.2
103.03925	2.1
107.01307	1.5
109.02889	3.4
115.05468	1.9
120.71253	1.0
123.04420	1.4
124.07629	1.2
125.02354	3.3
127.03932	5.5
137.06097	1.0
139.03893	1.3
143.03429	4.3
143.04932	1.4
145.04973	1.1
147.04425	1.7
151.03873	1.0
153.01831	100.0
153.02904	5.5
154.02165	2.8
155.07037	1.1
160.05145	0.9
161.05984	1.0
163.03903	1.2
171.02893	3.3
171.04327	1.6
175.07495	1.1
177.05473	1.7
178.04968	1.5
179.06998	1.1
203.07011	3.3
206.04385	1.5
207.04781	1.4
207.06540	1.5
213.03983	1.6
231.06561	11.2
232.06877	1.2
249.07571	3.3
255.05003	4.0
297.06152	6.1
315.07059	1.4
455.01584	1.3
455.15527	9.8
455.21463	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1522
Annotation	TyrMe-His-OH
Peak:m/z	Relative Intensity
69.03437	0.6
70.84827	1.0
75.04496	0.5
81.03443	0.7
85.02924	0.8
85.06075	0.6
88.28066	0.5
92.55312	0.5
95.01122	1.5
96.01855	1.0
97.02824	0.6
113.02134	3.0
121.99684	0.5
123.04472	1.4
127.03961	1.1
139.03931	2.5
141.61174	0.5
143.42905	0.6
149.02196	0.5
151.03929	1.0
153.01817	12.9
154.02159	0.5
155.07065	0.6
159.04295	1.0
163.03961	0.6
167.03281	0.8
171.02899	0.8
177.05414	0.5
183.02704	1.3
185.04231	3.7
189.05357	0.7
200.03023	0.6
201.03693	7.1
203.05316	1.0
204.07611	6.9
205.08304	0.8
219.02988	0.7
231.06528	1.0
231.09982	0.7
245.06393	5.6
257.06390	2.1
284.18884	0.6
293.06610	1.1
293.09909	19.0
294.10458	0.7
297.06195	1.1
455.15414	100.0
456.15790	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	455.1522
Annotation	TyrMe-His-OH
Peak:m/z	Relative Intensity
50.14482	0.5
53.34254	0.5
53.47861	0.5
56.66582	0.5
57.03440	0.9
69.03439	1.3
69.40604	0.5
69.89585	2.7
71.04999	4.0
71.10369	0.5
73.20837	0.6
83.04987	1.0
85.02901	6.9
90.21268	0.6
95.04978	1.0
97.02921	1.2
109.02881	0.7
111.04430	0.6
113.05988	3.2
123.04382	1.2
127.03927	1.3
127.45702	0.5
129.05476	1.5
131.07040	7.0
139.03865	2.4
145.04945	0.8
147.06543	1.5
153.01860	3.2
163.03934	1.3
164.52042	0.5
185.04309	1.1
204.07626	0.7
219.03032	0.8
230.09132	1.3
231.09921	0.7
247.09425	1.0
287.01901	0.6
287.05273	0.6
293.09927	51.4
294.10349	1.9
362.50586	0.6
430.81287	0.5
455.15344	100.0
456.15729	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62809	0.8
55.44769	0.8
79.05464	1.3
81.03416	0.8
81.07047	1.6
91.05473	4.3
93.06965	1.1
95.04955	1.4
98.23430	1.6
100.11228	1.6
105.07015	1.5
107.08521	1.6
119.08584	1.6
123.04439	1.5
133.10033	1.1
135.11662	0.9
135.39925	0.9
143.14339	0.9
147.85057	1.0
148.02872	1.0
181.04912	3.1
293.17081	1.6
455.20578	100.0
456.20734	8.8
456.29739	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41704	0.3
51.79055	0.3
55.05474	0.4
59.60087	0.3
64.49977	0.3
69.79186	1.2
73.23399	0.3
82.04079	0.3
83.08575	0.5
90.23119	0.5
91.05422	0.5
100.11200	1.0
107.04922	0.4
107.08549	0.4
119.08522	0.4
121.02812	0.5
123.04383	0.3
123.30317	0.3
125.67724	0.3
182.15416	0.4
185.04146	0.8
195.10126	0.4
275.16153	0.4
275.26978	0.3
293.17212	100.0
294.17606	7.0
323.18604	0.3
437.30280	0.4
447.73782	0.3
455.22531	78.0
456.22897	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	455.225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.5
55.05511	3.4
57.03431	0.8
62.23887	0.3
67.05499	1.7
69.03429	0.6
69.07055	1.6
71.05013	0.3
71.13924	0.3
71.14254	0.4
79.05486	1.5
81.07037	2.2
83.08611	1.8
91.05475	1.4
93.01389	0.3
93.07034	2.3
95.04921	0.4
95.08608	2.1
95.09148	0.3
97.06542	0.5
97.10164	4.3
105.07026	2.1
107.04909	0.3
107.08575	3.0
109.06557	0.5
109.10169	2.0
111.08066	0.6
112.05644	0.3
117.07035	0.7
117.27162	0.3
119.08562	1.9
121.10153	1.8
123.08034	0.8
123.11751	0.5
125.09618	4.8
131.08571	1.1
133.10109	1.9
135.08055	0.9
135.11650	1.6
143.08578	0.5
143.10687	0.4
144.09286	0.5
145.10147	1.6
147.11685	1.3
149.09590	0.4
149.13263	0.5
153.09155	0.5
155.08461	0.3
156.09332	0.4
157.04465	0.3
157.10126	0.4
159.11737	1.3
161.13248	0.7
171.10132	0.4
171.11688	0.9
173.09691	0.5
173.13188	1.1
175.11246	0.5
175.14919	0.7
185.13278	0.7
187.11176	0.5
187.14799	0.9
189.11241	3.2
189.12743	0.7
189.16379	1.2
191.10686	0.4
197.13275	0.6
201.12755	0.4
203.14304	0.4
203.18138	0.4
207.17465	1.5
211.09402	12.1
211.14622	0.5
212.09807	0.4
215.10809	0.4
229.09230	0.5
233.11662	0.6
245.13811	2.0
247.10194	0.4
267.12003	10.0
268.12347	0.6
295.24017	0.4
377.24680	0.4
409.31009	0.4
437.30603	1.0
455.22455	100.0
456.22836	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	455.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48790	0.7
53.50153	0.6
55.05498	0.9
67.05505	1.2
69.03436	1.5
69.07104	0.8
71.32810	0.6
81.03424	0.6
81.07057	2.2
81.37455	0.7
85.02905	1.0
85.06527	0.6
91.05510	1.7
91.74130	0.7
93.07036	1.6
95.08598	1.6
97.02895	0.9
105.07037	1.5
107.08598	1.1
109.10159	1.3
119.08588	0.8
121.06459	0.8
121.10178	1.4
123.04448	1.0
127.03951	0.8
133.10124	0.8
135.11722	0.8
145.10136	1.4
149.06017	0.7
149.09639	0.7
153.01830	4.1
155.52394	0.6
165.01834	0.7
165.16722	0.7
203.05269	3.2
205.12056	1.6
223.13126	2.9
245.06345	7.8
275.16061	0.8
282.80948	0.7
293.10263	0.8
293.17258	2.0
303.05023	2.3
303.10477	10.6
385.18314	63.6
386.18759	5.4
397.18268	0.7
455.22546	100.0
456.22888	10.0
469.68832	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.6
58.63943	0.2
67.05492	1.0
69.07050	0.9
69.24999	1.8
77.02439	0.2
79.05489	1.2
81.07040	1.6
83.04964	0.4
83.08588	0.4
85.02881	0.3
91.05473	1.0
93.07034	1.3
95.04997	0.5
95.08598	1.4
97.06509	0.4
97.10168	0.4
98.21301	0.2
103.05446	0.8
105.07020	1.9
107.04938	0.3
107.08593	2.1
109.06535	0.3
109.10154	0.8
111.04382	0.3
111.08062	0.5
117.07010	0.4
119.04898	0.3
119.08551	1.9
121.10126	1.2
123.08051	0.7
123.11743	0.4
125.09635	0.6
131.04912	2.3
131.08554	0.8
133.10115	1.4
135.08057	0.7
135.11685	1.1
137.05983	2.2
137.13249	0.3
141.09033	0.3
143.08557	0.6
145.10129	1.2
147.04453	0.3
147.11671	1.1
149.09590	0.3
149.13255	0.5
154.06290	0.4
157.10063	0.3
159.11633	1.2
161.06052	0.3
161.09590	0.4
161.13293	0.5
163.07533	1.5
163.14716	0.3
169.10115	0.4
171.11641	0.6
173.13264	0.7
175.14735	0.3
177.16367	0.3
183.11771	0.5
185.13249	0.3
187.14700	0.4
189.16379	0.5
191.14366	0.4
195.10138	0.5
197.13297	0.3
199.14880	0.3
201.12628	0.3
201.16370	0.4
205.15839	0.2
209.13248	0.2
211.09435	0.8
211.14650	0.3
213.16338	0.4
217.15898	0.3
227.18030	0.3
233.11543	0.3
267.12036	0.7
455.22437	100.0
456.22815	8.6
456.29248	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.5
55.01890	0.9
55.05508	3.5
57.07073	0.6
57.67552	0.4
67.05499	7.0
69.01353	0.5
69.03436	0.5
69.07066	3.9
70.23114	0.5
71.05008	1.5
79.05485	4.5
81.03409	0.8
81.06613	1.0
81.07053	9.7
83.04990	1.6
83.08626	1.5
85.06544	1.2
91.05473	4.1
93.07043	6.3
95.04987	1.4
95.08607	9.5
97.06543	1.2
97.10177	1.4
98.22621	1.1
99.08089	0.8
101.06014	0.7
105.07031	7.7
107.08589	8.7
108.08956	0.7
109.06512	1.0
109.10153	5.9
111.04449	0.6
111.08112	1.1
117.07046	2.1
119.08569	7.1
121.06493	0.8
121.10139	6.9
123.08086	1.6
123.11708	1.8
125.09635	1.5
129.07002	1.1
130.34085	0.6
131.08583	3.9
133.06517	0.8
133.10124	7.3
135.08090	1.3
135.11691	4.9
137.05922	0.7
137.09621	1.2
137.13297	1.2
139.07582	0.6
139.11221	0.8
139.96429	0.5
143.08533	2.5
145.10121	4.6
147.08025	1.2
147.11664	3.3
149.09639	1.4
149.13205	3.2
151.07536	0.7
151.11211	1.2
155.08569	0.8
156.09412	0.5
157.10165	1.9
159.08130	0.7
159.11694	3.8
161.09624	1.1
161.13263	2.8
163.11197	1.4
163.14801	1.3
167.08636	0.6
169.08813	0.5
169.10158	2.0
171.11729	2.3
173.09695	1.0
173.13301	2.6
174.88310	0.5
175.11284	1.4
175.14839	1.6
177.12863	0.8
177.16405	1.8
179.10661	0.7
183.11743	2.3
185.13322	1.7
187.11301	0.9
187.14799	3.6
189.09135	0.7
189.12723	0.7
189.16394	3.2
191.17972	1.1
195.11722	0.8
197.13301	1.0
199.14893	1.5
200.41205	0.5
201.12717	0.5
201.16402	1.3
203.14316	0.8
203.17926	2.5
205.15947	1.2
207.10211	0.9
209.13283	0.6
211.14827	1.3
213.16476	0.8
215.18010	1.0
217.12268	1.1
219.13890	0.6
229.15884	1.0
237.16333	0.8
239.18141	0.7
241.15916	0.9
247.13402	0.6
251.17944	0.7
251.40587	0.5
287.16458	0.6
291.19846	0.5
302.61481	0.5
370.27374	0.6
373.29279	0.6
391.29910	0.9
409.31052	0.8
427.28574	0.7
437.30792	2.5
455.29910	100.0
456.30173	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	455.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74636	0.9
53.03945	2.5
55.05511	16.6
57.07071	8.0
57.14375	1.0
63.52723	1.0
65.03932	2.8
67.05164	1.5
67.05507	26.7
69.03416	2.6
69.07069	25.1
69.26818	8.7
71.04999	1.9
71.08624	1.3
78.04693	1.0
79.05490	20.7
81.07058	63.3
82.07368	1.1
83.04998	4.9
83.08628	9.5
85.06531	5.2
91.05482	22.4
92.05798	1.5
93.07047	47.6
95.04982	2.5
95.08606	100.0
96.08916	2.9
97.06536	2.3
97.10159	4.6
98.22599	2.2
101.06001	4.4
103.05502	1.9
105.07030	42.3
107.04911	1.5
107.08595	65.7
108.08899	2.8
109.06504	4.2
109.10155	37.0
111.08017	1.2
111.11674	1.2
111.34091	1.1
115.05396	1.6
117.07017	7.1
119.07748	2.4
119.08583	43.4
120.08894	2.6
121.06533	2.2
121.10150	52.4
123.08031	3.1
123.11713	20.1
125.09615	2.3
128.06213	2.4
129.07030	6.8
130.07745	1.5
131.08571	16.5
133.06511	1.6
133.10127	31.5
134.10457	2.1
135.08083	2.1
135.11696	60.6
136.12059	1.7
137.09666	2.3
137.12241	2.3
137.13254	34.5
138.13571	1.6
139.07501	1.3
141.07011	2.6
142.07780	3.2
143.08563	12.5
145.10133	22.3
147.08078	1.5
147.11690	30.6
149.09598	3.3
149.13263	45.6
150.13574	1.4
151.11151	1.2
151.14809	3.7
154.07745	1.2
155.08546	7.6
156.09323	3.5
157.10118	13.1
158.10616	1.4
159.08012	1.9
159.11699	18.6
160.12328	1.3
161.09639	2.0
161.13261	18.7
163.11157	2.0
163.14812	8.5
165.06979	1.9
165.09094	1.4
166.07880	1.1
167.07195	1.5
167.08556	3.3
169.10121	9.1
171.08020	2.4
171.11690	21.5
172.12494	1.1
173.09595	3.5
173.13232	12.3
175.07611	1.7
175.11201	4.2
175.14830	6.7
177.12752	3.1
177.16388	31.1
178.16660	1.6
179.08444	1.1
179.17932	1.4
181.05730	1.1
181.10106	7.1
182.10837	1.9
183.11705	12.4
185.09650	2.9
185.13269	10.8
187.11218	6.3
187.14795	7.2
189.12796	3.7
189.16377	19.3
191.17934	13.3
193.10129	2.0
193.19501	1.5
195.10268	1.0
195.11737	7.5
197.13261	10.3
199.11201	2.9
199.14813	9.0
201.12756	8.1
201.16388	10.2
203.10652	1.9
203.14272	4.5
203.17963	41.3
204.18253	2.0
205.12294	1.6
205.15895	2.4
205.19501	3.1
207.11758	1.6
207.17404	1.5
209.13205	3.1
211.14845	5.5
213.12755	8.7
213.16229	4.9
215.10834	1.1
215.14291	4.2
215.17918	3.9
217.12274	2.9
217.15926	2.7
217.19524	10.6
219.13805	1.6
221.13254	2.8
223.14836	5.8
225.12744	1.7
225.16432	5.0
227.14383	2.0
227.17831	3.2
229.12206	4.3
229.15733	1.1
229.19435	1.4
231.13794	3.2
233.11742	2.9
235.13164	2.4
237.16396	4.1
239.14406	2.1
239.17960	3.2
241.15913	7.3
241.19392	2.7
243.13719	3.7
243.17392	1.7
245.11632	2.4
247.13078	2.7
249.16396	1.7
251.17995	3.0
253.15846	1.3
253.19789	1.1
255.17422	2.9
257.15451	1.9
259.13306	7.7
259.17001	2.1
263.18045	1.4
267.17407	2.2
269.15332	2.3
269.18927	1.8
271.16882	2.1
273.15155	1.2
273.18381	2.0
275.16446	1.0
277.14447	1.4
277.19281	1.2
283.16772	1.3
285.18582	1.2
287.16422	7.1
292.10034	1.1
299.16556	1.6
299.20065	1.1
301.17917	2.6
305.17551	2.0
313.18204	2.1
325.21536	1.4
331.19019	3.2
373.28641	3.7
391.29837	7.4
409.30902	6.2
410.31229	1.2
419.29361	6.3
437.30328	12.1
455.31400	72.4
456.31876	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	455.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	8.6
55.01859	4.4
55.05509	25.3
55.28238	3.9
57.07081	8.2
57.54200	5.0
65.03938	4.5
65.29401	3.7
67.05501	38.3
69.03428	4.5
69.07055	39.0
71.04984	9.4
79.05492	39.9
81.07057	68.2
83.04967	8.5
83.08621	22.6
85.06538	30.1
91.05467	43.7
92.22264	3.9
93.07037	60.5
95.04959	12.3
95.08601	76.0
97.06515	23.1
97.10149	13.5
105.07023	70.5
107.08582	100.0
109.06514	11.7
109.10162	55.2
111.08061	10.5
117.06992	16.8
119.08568	82.3
121.06467	14.0
121.10132	77.7
123.08067	11.7
123.11671	29.2
124.53375	4.7
125.06013	4.5
125.09638	12.2
129.06989	8.8
131.08565	41.0
133.06470	5.1
133.10126	64.4
135.08060	16.0
135.11691	40.0
137.13228	7.2
139.11095	8.4
141.06976	4.8
142.07794	7.2
143.08551	28.0
144.09343	6.0
145.10100	70.8
147.07993	6.3
147.11685	50.0
149.09608	16.4
149.13223	24.2
151.07487	5.7
151.11157	5.2
155.08510	7.4
156.09346	10.8
157.10120	29.2
158.10683	5.6
159.08084	7.1
159.11707	54.7
161.09644	8.8
161.13242	25.4
163.11177	14.1
163.14784	11.2
165.12811	4.6
169.10156	17.2
171.11667	38.1
173.09541	4.9
173.13235	33.5
175.11217	13.0
175.14856	21.8
177.09172	5.1
177.12756	22.7
177.16382	11.9
179.14259	5.5
183.11723	21.1
184.12332	5.3
185.09604	6.8
185.13220	42.5
186.89647	4.4
187.11122	9.0
187.14815	27.8
189.12737	46.6
189.16383	17.7
191.14302	13.8
191.17926	16.0
195.11772	6.5
197.13260	13.5
199.14806	17.4
201.12743	9.9
201.16357	36.5
202.02013	4.3
203.14282	23.2
203.17938	10.3
205.15845	12.1
207.17459	7.2
209.08086	4.5
211.14876	7.0
213.16272	10.8
215.14319	6.6
215.17911	16.6
217.12245	13.8
217.15945	10.0
217.19519	6.7
219.13777	6.3
219.17438	17.3
223.13091	10.4
223.15030	5.9
225.16367	6.2
227.17993	8.6
231.13824	10.0
231.17442	8.8
233.19107	10.4
235.13304	12.7
237.16318	10.2
239.17944	7.2
243.17458	6.1
247.16959	5.7
253.19392	5.3
269.19022	6.0
367.29892	6.0
373.28799	9.4
391.29971	47.9
392.30334	9.7
409.30975	64.6
419.29263	15.7
437.30112	54.8
455.31097	80.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.8
55.05510	15.0
57.07074	11.3
65.03920	1.6
66.77448	1.3
67.05176	1.5
67.05505	27.4
69.03409	2.3
69.06724	1.3
69.07067	22.8
69.10595	5.3
69.11024	7.8
71.04976	1.7
71.08614	1.8
79.05494	20.3
81.07055	61.5
82.07336	1.5
83.04959	4.9
83.08603	9.7
85.06509	4.9
91.05474	20.0
93.06453	2.4
93.07038	47.2
95.04951	2.9
95.08603	100.0
97.06491	1.7
97.10152	4.5
99.08031	1.8
101.05995	4.0
105.04530	1.6
105.06367	1.8
105.07030	32.1
106.07362	1.7
107.08590	61.5
109.06485	3.7
109.10158	35.1
111.08061	1.3
111.11668	1.5
111.60442	1.3
115.05432	1.8
117.06973	8.2
119.07772	2.3
119.08581	39.7
121.09283	2.7
121.10140	54.3
123.08062	2.5
123.11704	17.9
128.06221	2.3
129.06952	5.7
131.08571	17.7
133.10133	32.7
135.08032	3.7
135.11690	52.8
137.09560	2.4
137.13246	36.0
141.06940	4.0
142.07744	3.2
143.08560	13.1
144.09294	1.4
145.06468	1.8
145.10115	19.9
147.07954	1.6
147.11674	26.8
149.09572	2.7
149.12123	2.5
149.13251	40.7
151.07552	1.4
151.11101	1.6
151.14807	6.3
153.07008	2.3
154.07735	1.5
155.08519	5.4
156.09279	2.4
157.10115	12.1
158.10591	1.5
159.08040	1.7
159.11702	15.9
161.09476	1.6
161.13272	18.1
163.11197	1.8
163.14809	8.1
165.09106	1.5
165.12666	1.4
167.08511	4.2
169.10126	9.5
171.10373	1.6
171.11694	20.1
173.09727	1.5
173.13261	10.6
175.07549	1.7
175.11134	4.7
175.14825	8.1
177.12720	1.6
177.14912	2.0
177.16388	31.2
178.16649	1.8
179.08437	1.5
181.10118	4.0
183.11670	14.4
185.13295	9.8
186.13770	1.4
187.11125	4.5
187.14822	8.5
189.12666	3.9
189.16373	17.6
191.17998	10.0
193.10101	3.3
195.11661	5.6
197.13249	10.7
198.13718	1.4
199.11136	4.4
199.14777	7.8
201.12776	7.2
201.16455	11.1
203.10538	1.7
203.14174	2.0
203.17932	31.6
204.18202	2.3
205.12221	1.4
205.15875	2.6
205.19501	3.0
207.11646	2.4
209.13269	3.0
210.13985	1.4
211.14737	6.4
213.12737	9.6
213.16312	5.6
215.14235	4.6
215.17955	4.5
217.12277	2.4
217.15935	1.8
217.19449	9.1
219.13789	2.0
221.11501	1.8
221.13412	2.4
221.15305	1.4
223.14761	5.4
225.12697	1.6
225.16336	4.9
227.14217	2.7
227.17865	2.1
229.12201	4.6
229.15773	1.7
231.13640	2.3
235.14810	1.6
235.16786	1.7
237.16302	3.8
237.37863	1.5
239.14508	1.8
239.17888	2.7
241.12228	1.8
241.15831	5.0
241.19501	1.7
243.13881	3.4
243.17407	2.0
243.21030	1.7
245.11734	3.5
249.16331	1.6
251.17923	2.6
253.15834	2.3
255.17410	3.3
255.21043	1.6
257.15295	3.8
259.13242	5.5
259.16742	2.5
267.17490	2.3
269.15289	2.8
271.16898	1.8
277.14163	1.7
285.18323	1.9
287.16443	6.8
299.16446	2.4
301.17883	1.6
305.17340	2.5
317.17480	2.2
331.19009	1.8
349.25131	1.9
373.28778	3.3
391.29822	5.9
409.30881	7.2
419.29059	5.4
437.29248	10.6
437.34589	4.5
448.34128	1.4
455.31281	55.0
456.31705	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	455.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19876	2.2
53.03928	3.1
55.05513	23.4
57.07073	9.3
65.03956	4.5
67.05507	29.2
69.03429	9.0
69.07067	33.9
69.53098	6.5
69.53506	6.5
69.96384	2.1
76.46215	2.5
79.05499	29.3
81.03392	4.6
81.07056	72.4
83.04983	7.2
83.08622	9.1
85.02878	2.8
85.06538	6.2
91.05483	33.1
93.07040	58.8
95.04989	4.7
95.08606	86.2
96.08953	2.7
97.02881	4.1
97.10169	5.0
98.23242	3.0
101.06020	7.0
103.05479	3.0
105.07034	63.6
107.08600	70.7
109.06520	2.6
109.10159	50.7
110.11793	1.9
111.08089	5.2
115.05433	2.3
117.07038	12.2
119.08583	69.5
121.10149	65.6
123.04433	5.2
123.11705	21.7
128.06238	4.0
129.07002	13.0
130.07755	2.3
130.19714	2.1
131.08554	22.3
133.06503	4.5
133.10136	46.5
135.08034	2.3
135.11688	42.4
137.05954	3.1
137.13248	15.6
141.06978	6.0
142.07834	3.6
143.03442	3.7
143.08568	20.7
145.10123	32.6
147.04364	3.2
147.08028	5.0
147.11685	49.6
149.09761	2.8
149.13254	50.6
151.07553	3.5
151.14935	2.6
153.01828	3.9
153.07010	2.3
154.07777	2.1
155.08543	12.7
156.09372	10.2
157.10110	21.6
159.11690	29.9
161.09639	5.5
161.13266	24.7
163.11241	2.7
163.14861	9.4
167.08617	5.3
168.09428	3.4
169.10146	16.1
171.08073	2.7
171.11697	27.4
173.09601	4.8
173.13315	11.4
175.11226	4.5
175.14845	10.6
177.12779	3.7
177.16376	16.0
181.10117	6.6
182.10944	3.2
183.11693	15.7
185.09671	4.3
185.13260	15.7
187.11177	15.7
187.14836	10.3
189.12790	10.3
189.16359	12.0
191.17981	8.5
195.11720	10.1
197.13213	12.2
199.11232	3.6
199.14809	12.8
201.12814	5.9
201.16438	10.0
203.05408	3.5
203.10786	3.7
203.14441	5.3
203.17949	50.0
204.18257	3.7
205.12259	9.1
205.19560	5.8
207.11711	4.6
209.13303	6.2
211.14833	9.0
213.12897	7.1
213.16373	4.1
215.10641	2.8
215.14279	4.7
215.18045	4.7
217.12254	3.8
217.19489	19.1
217.93968	2.5
221.13309	4.8
223.14833	4.6
225.12733	2.8
225.16440	7.0
227.14410	3.4
229.12196	3.5
233.11755	10.1
237.16400	4.9
241.15785	3.4
243.13872	3.3
243.17477	2.7
245.06358	8.6
249.16481	2.8
255.17532	3.3
257.15451	3.3
259.13345	5.8
263.18079	3.0
269.15601	3.0
299.20108	3.2
303.10565	9.2
327.19193	2.7
337.16049	3.0
373.28848	6.7
391.30090	15.7
399.25186	5.2
409.31085	12.6
410.31656	3.2
419.29367	7.9
437.30539	20.1
455.22284	100.0
455.31583	63.6
456.22617	8.9
456.32043	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	455.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.0
53.06200	2.1
54.79578	1.7
55.01868	1.9
55.05304	1.4
55.05514	18.9
55.73197	1.6
57.03440	2.1
57.07064	7.9
57.55696	1.6
58.55124	1.5
59.41977	1.8
65.03939	3.1
66.36103	2.0
67.05172	2.2
67.05508	31.4
69.03423	6.3
69.07067	21.9
70.07401	1.7
79.05486	25.2
81.03417	5.7
81.07059	65.9
83.04973	5.0
83.08612	10.4
85.02903	6.2
85.06527	7.9
91.05476	27.5
93.07045	54.3
95.04955	5.7
95.08607	100.0
96.08926	2.4
97.02873	2.1
97.06554	3.1
97.10169	5.9
99.08076	2.0
101.06014	3.2
101.95615	1.6
103.05448	1.9
105.07032	46.0
107.04997	2.4
107.08598	64.0
108.08942	2.5
108.17370	1.6
109.02906	4.9
109.06528	4.3
109.10153	38.0
111.08114	3.9
111.88864	1.6
113.52849	1.6
115.05465	3.7
117.06989	8.7
119.04966	2.0
119.08582	43.8
120.08836	2.0
121.06499	2.9
121.10147	62.4
123.04436	13.9
123.08082	3.2
123.11710	23.0
125.09651	2.2
127.03922	2.4
128.06230	2.9
129.07002	10.7
131.08563	22.9
133.09180	3.1
133.10135	39.7
135.08044	3.5
135.11691	51.1
136.12030	2.9
137.05981	2.2
137.09631	4.4
137.13255	30.6
141.06981	2.5
142.07719	2.9
143.08571	16.6
145.10114	35.7
146.10580	1.9
147.04373	2.9
147.08078	2.3
147.11690	28.2
149.09645	4.3
149.13263	43.3
150.13594	2.8
151.03900	3.8
151.11195	2.1
151.14786	4.5
155.08540	7.6
156.09294	5.0
157.10124	16.2
158.10870	2.1
159.11687	26.0
161.13264	20.7
162.13559	2.1
163.11176	4.3
163.14819	8.7
165.05450	3.9
165.09166	2.3
167.08557	2.0
168.09351	3.0
169.10094	8.8
171.08003	2.3
171.11693	25.9
173.09627	3.5
173.13260	14.3
175.07600	2.1
175.11188	5.4
175.14868	14.6
177.12860	4.4
177.16365	35.2
179.07126	11.7
181.10117	5.5
182.10780	2.0
183.06512	6.6
183.11710	15.7
185.09688	3.2
185.13235	23.4
187.11153	5.5
187.14815	12.8
189.12788	6.0
189.16397	14.9
191.14182	2.6
191.17921	11.2
195.11703	7.5
197.13239	10.3
199.11197	4.6
199.14882	8.6
199.16557	1.9
201.12703	4.0
201.16391	8.7
203.10762	2.4
203.14316	16.8
203.17920	22.5
205.12245	1.8
205.15852	14.4
205.19492	2.4
207.11627	1.8
208.42601	1.6
209.13283	7.0
211.14844	9.4
213.12749	11.4
213.16313	6.4
215.14308	3.8
215.17961	3.5
217.12215	2.3
217.15851	3.2
217.19458	7.7
219.13992	1.6
219.17442	2.5
223.14830	7.9
225.16391	4.7
227.14227	2.8
227.17879	3.2
229.12239	3.2
229.19479	2.0
231.13881	5.4
233.18802	1.9
237.16281	4.1
239.18065	3.5
241.15843	5.7
245.11726	2.5
247.13202	2.6
251.17918	3.1
255.17485	3.9
259.13300	7.1
259.16901	2.9
263.18024	2.5
267.17270	3.0
269.15356	3.8
269.18829	2.2
271.16971	2.7
287.16519	4.4
301.18076	2.6
318.22726	1.9
331.11752	2.5
331.18765	2.3
337.25015	2.1
349.25360	2.9
373.28864	4.6
391.30081	13.5
409.30859	19.6
419.29279	6.3
425.30521	4.9
437.30417	20.8
455.21674	31.6
455.31497	50.2
456.22455	2.7
456.31607	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	455.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73619	1.3
51.02356	1.3
53.03936	3.6
55.01861	1.6
55.05509	16.5
57.03410	4.7
57.07058	4.8
57.28376	1.3
59.05001	1.4
65.03925	3.1
67.05176	1.8
67.05502	31.0
69.03407	5.8
69.06723	1.8
69.07067	24.4
69.19354	10.9
71.04993	3.1
73.02908	3.9
77.97827	1.2
79.05045	2.0
79.05487	30.8
81.03413	7.2
81.07052	57.7
82.07362	1.6
83.04964	1.4
83.08618	10.1
84.78130	1.1
85.02914	9.6
85.06544	17.7
91.04942	2.4
91.05471	30.3
93.07039	52.0
95.04960	6.5
95.08604	74.5
96.08922	1.8
97.02864	4.8
97.06506	4.5
97.10165	6.7
103.05460	2.7
105.07027	53.9
106.07300	1.7
107.08591	100.0
108.08894	2.3
109.02865	10.4
109.06500	5.9
109.10151	37.6
110.10488	2.1
111.08105	3.7
115.03914	3.7
115.05425	3.0
117.07008	13.6
119.08574	60.1
120.08844	1.9
121.06477	2.8
121.10143	57.3
122.10461	2.7
123.04428	1.6
123.08076	12.2
123.11713	20.2
125.09620	3.0
127.03885	3.5
128.06203	3.2
129.07004	10.1
131.08559	28.6
132.08908	1.6
133.06479	2.1
133.10121	38.3
134.10507	1.7
135.04352	1.5
135.08049	3.5
135.11687	38.3
137.09605	3.9
137.13254	8.7
139.07524	1.5
141.06978	3.3
142.07739	5.9
143.07549	1.8
143.08572	16.2
144.09377	2.2
145.04955	3.1
145.10117	33.2
147.08022	3.2
147.11681	44.4
149.09625	8.2
149.13249	24.7
151.03894	1.7
151.14812	2.8
153.12762	1.3
154.07732	2.4
155.08519	14.2
157.10126	24.3
158.10756	1.9
159.08090	2.0
159.11694	32.1
160.12257	1.5
161.05966	1.8
161.09680	6.8
161.11908	2.2
161.13252	44.1
163.05980	1.5
163.11212	10.5
163.14812	27.0
165.07002	1.7
165.09074	2.7
165.11745	1.3
165.12784	14.4
166.07680	1.7
167.08530	2.6
167.10655	3.8
168.09276	2.8
169.10153	13.0
170.10828	1.7
171.11678	20.4
173.09637	5.3
173.13239	22.7
175.11194	6.9
175.14809	17.2
177.09122	1.7
177.12804	3.9
177.16396	12.7
179.08411	1.5
179.14305	60.4
180.14645	2.4
181.10094	5.7
182.10966	1.6
183.11684	17.0
184.12195	1.5
185.09602	1.9
185.13251	20.0
186.13864	2.4
187.11162	4.0
187.14821	17.8
189.12746	4.8
189.16367	17.6
191.10643	3.2
191.14326	6.7
191.17949	22.8
193.10059	1.6
193.15790	1.3
195.10088	2.2
195.11734	8.1
196.12378	1.5
197.13234	10.5
199.11098	3.3
199.14803	15.1
200.15141	2.1
201.12737	14.1
201.16386	17.8
203.14305	4.0
203.17992	6.6
205.12198	2.9
205.15877	3.2
207.11754	2.7
207.17432	3.9
209.11577	3.0
209.13246	7.7
211.14827	10.4
213.12708	4.1
213.16325	7.9
214.17162	1.9
215.10735	2.2
215.14404	10.6
215.17909	10.3
217.08681	1.8
217.12297	3.3
217.15825	4.9
217.19467	2.5
219.13829	3.2
219.17430	3.0
221.13409	2.8
222.13914	1.4
223.14780	5.3
224.39246	1.4
225.12674	2.0
225.16336	7.7
227.14209	3.0
227.17928	5.5
229.12195	3.7
229.15923	8.1
229.19507	6.6
231.13867	2.3
231.17323	2.5
233.13408	2.0
235.14864	2.9
237.16475	7.7
239.14322	5.3
239.17967	4.2
241.15843	3.7
241.19547	2.1
243.13815	3.8
243.17389	6.3
243.21077	5.3
245.15344	2.8
247.13274	3.1
249.16379	3.6
251.18007	6.9
253.19547	2.4
255.13690	2.2
255.17386	4.2
257.15353	3.0
259.16910	2.6
259.20523	2.0
261.14655	6.8
263.18045	2.2
265.19354	2.4
267.17645	1.5
267.21054	2.3
269.15527	2.1
269.18903	3.1
271.16977	3.7
273.18283	1.9
275.16345	3.5
281.15405	1.7
281.18976	2.6
283.16858	4.1
283.20398	2.1
285.14835	2.8
285.18384	1.6
287.16266	2.6
288.80576	1.4
289.17645	1.9
295.17035	1.5
297.18488	4.6
299.20157	2.0
300.94473	1.5
301.18011	2.7
303.20822	1.6
313.17984	1.5
315.19476	4.4
317.22556	2.3
323.20010	1.7
335.23615	2.6
339.19574	2.0
341.20853	1.6
349.21689	1.6
367.22662	2.5
371.16727	2.6
373.24667	1.9
373.28723	8.1
381.24234	1.9
385.23602	1.9
391.29947	22.9
392.30463	3.0
401.28146	2.1
409.30984	15.0
419.29462	17.3
420.29535	1.9
427.31915	1.5
437.30527	51.6
438.30832	3.9
440.34415	1.5
455.21777	7.5
455.31461	45.0
456.31726	4.4
467.94189	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.2
55.01878	1.2
55.05510	20.7
57.07077	8.8
65.03945	2.7
66.18067	1.2
66.78798	1.3
67.05160	2.1
67.05504	29.6
69.03439	2.2
69.07068	27.0
71.04991	1.7
71.08644	1.8
79.05487	20.4
81.07056	67.3
82.07377	2.3
83.04990	4.4
83.08630	11.8
85.06532	3.6
91.05486	22.8
93.06451	2.3
93.07043	44.8
94.07370	2.1
95.04959	3.3
95.08606	100.0
96.08968	3.5
97.06532	3.5
97.10149	6.0
101.06033	2.5
102.73576	1.1
105.07027	36.1
107.08591	59.7
108.08919	1.5
109.06501	3.0
109.10151	34.8
110.10474	1.6
111.08065	1.4
111.11685	1.5
117.06982	6.1
118.06225	1.1
119.08578	47.3
120.08911	2.0
121.09261	2.9
121.10141	46.8
123.08071	4.9
123.11706	16.2
125.09589	1.8
128.06183	1.9
129.06987	6.5
131.08575	13.6
133.00607	1.2
133.06522	1.7
133.10123	37.4
135.08034	2.1
135.11691	52.0
136.12039	2.4
137.09616	2.0
137.13246	31.9
139.11148	1.5
141.06967	2.2
142.07779	1.8
143.08559	10.9
143.97075	1.2
144.09319	1.4
145.10115	22.1
147.11670	29.9
149.09578	1.7
149.13245	42.3
150.13551	1.6
151.11285	1.3
151.13177	1.1
151.14804	4.3
155.08534	6.6
157.06502	1.8
157.10088	11.7
158.10912	1.4
159.08070	1.7
159.11676	15.7
161.09695	2.9
161.13248	20.0
163.11200	2.0
163.14832	8.6
168.09462	1.7
169.10124	8.1
171.08084	1.7
171.11682	18.3
172.12456	1.2
173.09615	1.9
173.13268	11.9
175.11249	2.9
175.14857	11.8
177.12856	1.6
177.16371	26.4
179.18019	1.3
181.10136	3.3
183.11653	11.1
185.09624	2.0
185.13245	9.2
187.11203	3.9
187.14783	12.9
189.12729	3.4
189.16399	24.6
190.16768	2.3
191.17944	8.6
193.10197	2.0
193.12152	1.6
195.11731	5.0
196.12401	1.3
197.13237	8.8
199.11252	3.4
199.14798	8.3
201.12781	4.3
201.16353	12.3
203.10751	2.3
203.14334	3.0
203.17943	36.0
205.12270	1.9
205.15891	3.0
205.19585	2.4
207.17419	4.1
208.12531	1.8
209.13266	3.9
211.11209	2.3
211.14772	4.4
213.12836	6.5
213.16330	6.1
215.14359	3.7
215.17838	6.4
217.12262	2.5
217.19444	8.7
219.17436	1.5
223.14851	4.1
225.12688	1.8
225.16350	4.4
227.14406	1.7
227.18123	2.3
229.12260	3.5
231.13846	3.9
231.17455	2.2
231.21072	1.3
233.15359	2.4
235.16920	1.8
237.16342	2.2
239.18013	2.9
241.15894	6.0
241.19415	2.2
243.13773	2.2
245.11737	2.3
247.13197	2.2
251.17979	2.3
253.15950	2.0
253.18765	1.4
255.17386	2.1
257.15378	1.7
259.13364	5.0
259.17041	2.7
259.20569	1.3
267.17477	2.1
269.15317	2.0
273.18515	1.4
277.22009	1.6
285.18500	1.6
287.16431	5.1
313.17880	1.4
317.17120	1.8
331.19101	1.8
373.28885	3.5
391.29813	4.8
400.22583	1.3
409.30560	8.6
411.32440	3.6
419.29120	2.9
436.75803	1.4
437.29736	9.8
455.31039	40.9
456.31818	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	4.6
55.05518	19.3
57.07049	4.1
57.26393	1.8
57.91459	2.0
59.04982	3.7
60.39758	2.0
65.03912	2.3
67.05502	40.4
68.05818	2.0
69.03401	5.0
69.07065	28.5
69.85555	9.0
71.04955	9.1
79.05489	28.9
81.07052	59.2
83.04979	10.9
83.08614	12.2
85.06503	8.3
91.05475	28.5
93.07043	51.2
94.07358	1.9
95.04968	9.7
95.08604	84.7
96.08898	2.8
97.06528	11.1
97.10150	10.5
99.04421	2.3
99.08058	8.8
105.06345	4.0
105.07018	55.0
107.04908	3.3
107.08592	66.9
108.08882	4.1
109.06458	8.6
109.10149	54.3
111.08069	9.4
117.07036	9.8
118.54283	1.9
119.08582	66.8
121.06455	7.0
121.10134	57.1
122.10345	2.2
123.08066	11.2
123.11709	20.2
125.09605	10.2
127.07534	2.6
127.11226	9.7
128.06187	3.2
129.06973	7.9
131.08565	31.0
133.06436	5.2
133.10124	44.9
134.10439	4.0
135.08043	13.0
135.11685	31.9
137.09598	10.6
137.13202	4.7
139.07483	2.4
139.11142	3.8
141.06993	2.6
141.70456	2.1
142.07704	3.9
143.08534	16.4
144.09302	2.2
145.06468	2.3
145.10115	38.5
146.10457	3.2
147.07985	6.8
147.11684	33.2
149.05861	1.9
149.09618	10.0
149.13280	14.3
151.07486	3.3
151.11142	8.8
151.14764	2.7
153.09041	5.0
153.12819	2.3
155.08488	6.2
156.09262	5.5
157.10146	20.7
158.10725	2.8
159.07965	4.0
159.10495	2.4
159.11684	29.3
160.12053	2.2
161.09573	8.5
161.13266	21.4
162.13638	2.8
163.11198	14.1
163.14838	12.7
165.09082	3.1
165.12668	6.6
167.95775	2.3
169.10118	11.5
170.10835	3.0
171.07947	2.3
171.11684	16.5
173.09537	6.5
173.13258	23.4
175.11102	5.9
175.14830	19.9
177.12650	6.9
177.16248	9.0
179.14244	3.5
181.10059	2.7
183.04918	1.9
183.11673	11.3
185.09650	2.3
185.13216	14.3
187.11081	6.5
187.14822	22.7
189.12762	9.6
189.16376	23.1
191.14241	7.6
191.17906	4.7
193.12115	3.1
193.15833	3.6
195.11574	5.4
197.13145	7.7
199.11104	5.4
199.14828	11.2
201.12642	8.8
201.16368	12.0
203.14305	15.9
203.17969	12.1
205.12320	2.3
205.15860	11.8
207.17377	5.7
209.13206	4.3
211.14670	7.0
213.12675	5.2
213.16385	9.5
215.14265	4.9
215.17851	6.2
217.10266	3.4
217.12221	45.0
217.15762	7.7
217.19273	2.4
218.12569	4.4
219.13681	4.1
219.17360	4.9
221.13197	3.5
221.15259	2.6
223.14772	4.0
223.16884	2.6
225.16309	6.1
227.14261	3.9
227.17941	4.1
229.15813	4.5
229.19496	3.2
231.13791	3.5
231.17363	4.6
233.15407	3.2
233.18924	2.5
235.14764	2.3
237.16315	2.7
239.17770	4.6
241.15787	4.0
241.19420	3.5
245.15237	3.0
245.18980	3.5
247.16748	4.7
253.19522	4.4
255.17209	4.1
257.18976	3.0
259.20316	3.4
261.22021	2.8
265.19498	2.5
267.20972	4.7
277.21594	3.0
283.16754	3.6
283.20032	2.6
299.19946	3.7
307.20593	2.4
313.25101	3.8
351.26553	2.9
369.27869	3.4
373.28784	2.3
391.29663	4.8
409.30609	9.5
413.30484	4.7
419.29166	6.8
437.29794	37.7
437.34897	5.2
438.30603	3.0
455.31210	100.0
456.31656	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	455.3515
Annotation	Lansionic acid
Peak:m/z	Relative Intensity
51.91264	2.5
53.03931	4.9
55.05510	14.4
57.07070	4.2
61.32513	2.4
67.05502	30.3
67.57726	2.5
69.07063	23.1
70.60601	7.3
71.05002	3.9
79.05490	25.5
81.06602	5.2
81.07057	63.8
83.04977	4.8
83.08630	15.0
91.05464	24.3
93.07039	51.3
95.04979	4.9
95.08601	100.0
97.06514	7.6
97.10161	7.6
99.08087	3.0
105.07027	71.8
106.07291	3.3
107.08587	78.7
108.20242	2.4
109.06498	11.2
109.10152	50.6
111.08073	51.9
111.11663	3.9
117.07027	9.3
119.08572	78.4
121.06528	4.6
121.10126	54.4
123.08076	9.4
123.11683	19.7
125.09613	9.7
126.11168	2.8
131.08537	21.2
133.10121	55.0
135.08009	5.8
135.11682	33.9
137.09613	4.1
137.13260	6.8
143.08563	6.9
145.10127	41.0
146.10434	4.0
147.08078	3.6
147.11682	76.8
148.12042	3.2
149.09564	5.8
149.13252	61.2
151.11143	4.3
153.09079	5.6
157.10144	11.4
158.10886	2.7
159.11679	31.2
160.12436	3.1
161.09636	5.7
161.13245	44.5
163.11151	10.5
163.14792	26.2
165.12744	3.6
169.10185	2.7
171.11670	7.8
173.09549	2.9
173.13264	25.5
175.11183	3.4
175.14851	29.0
176.15240	3.2
177.16383	33.9
179.10677	3.2
183.11618	3.8
185.13261	6.4
187.14787	26.4
189.12766	3.4
189.16374	77.2
190.16754	3.6
191.17935	16.6
197.13443	3.4
199.14839	6.6
201.12750	9.4
201.16368	35.8
203.14320	3.7
203.17949	77.0
204.18216	3.4
205.15884	12.1
205.19521	13.7
207.17413	21.8
213.16380	10.1
215.17860	14.8
217.15918	5.5
217.19453	4.1
219.17401	6.1
221.19016	7.7
229.19434	4.3
231.17548	6.5
233.18832	4.4
235.16933	6.2
241.19453	3.1
243.21088	4.8
245.22691	7.1
249.18521	11.0
261.18552	4.0
266.91568	3.0
269.22437	2.9
391.33624	9.7
397.30856	9.6
399.21725	3.0
409.34756	56.2
410.34857	5.2
419.33636	4.6
425.34119	6.0
437.34592	23.7
455.35919	39.4
456.36209	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	455.3515
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
53.03958	3.8
55.01863	15.2
55.05500	27.4
55.07169	3.3
57.07071	10.8
59.04987	8.7
67.05502	36.9
69.03413	10.1
69.07056	35.5
69.24294	20.4
71.04978	6.7
79.05489	40.1
81.07050	76.9
82.07409	2.9
83.04979	10.1
83.08612	19.0
85.06532	7.1
85.10125	3.0
91.05470	36.0
93.07035	64.2
95.04954	6.9
95.08600	71.8
97.06525	12.7
97.10164	8.8
99.08092	4.4
105.07018	67.9
106.07331	3.2
107.08588	98.4
108.08904	8.2
109.06508	22.8
109.10148	70.1
111.08070	35.7
117.07038	6.7
119.08566	100.0
120.08912	6.2
120.96617	4.4
121.06518	4.3
121.10131	60.7
122.10484	3.6
123.08054	18.1
123.11676	25.6
125.09632	18.1
127.07529	4.2
127.11151	3.2
129.07025	6.6
130.07765	3.0
131.08549	26.4
133.10112	63.9
135.08086	16.7
135.11679	37.9
136.05597	2.9
137.09604	15.0
137.13271	14.2
139.07500	18.5
139.11165	6.3
141.08867	2.7
141.66817	3.1
143.08540	9.4
144.09293	6.0
145.10123	43.0
146.10515	3.3
147.11674	67.7
148.12015	4.4
149.09596	8.3
149.13260	19.6
151.11154	11.3
153.09142	3.6
153.12733	3.4
157.10130	18.8
159.11665	39.7
160.12000	3.1
161.09628	10.8
161.13249	27.1
163.11180	12.8
163.14844	24.3
165.12747	68.7
165.55157	2.7
166.13052	4.4
166.67868	2.6
167.60680	2.9
169.10095	6.4
170.10884	3.5
171.11652	17.6
173.13222	21.3
175.11191	19.0
175.14798	17.4
177.12726	6.7
177.16400	11.1
183.11723	8.5
185.13235	13.6
187.14781	24.5
189.12758	7.6
189.16377	24.3
190.16748	3.7
191.14288	5.9
191.17937	6.0
193.12260	29.9
193.15958	3.4
197.13185	6.9
199.14824	16.5
201.12729	5.0
201.16360	35.8
202.16745	4.9
203.14313	16.0
203.17981	18.9
204.68376	3.5
205.15854	7.7
207.17400	9.5
209.13167	3.4
211.14760	8.2
213.16347	12.9
215.14307	4.4
215.17984	9.0
217.12323	5.7
217.15877	7.2
217.19435	4.5
219.17451	7.9
221.15302	5.8
225.16354	9.2
227.17923	8.4
229.15776	6.4
229.19379	4.1
231.17421	14.5
241.19359	4.6
243.17458	10.2
245.15237	3.1
245.18962	4.9
247.16975	3.4
249.18495	31.8
250.18581	3.1
261.18494	6.0
267.17551	3.1
267.21048	8.3
269.19019	6.0
271.20834	3.5
277.21750	6.6
285.19067	3.3
285.22144	14.2
303.23257	9.4
309.22073	4.4
327.23407	4.2
335.25769	6.4
345.24506	8.5
351.30289	4.1
381.27887	5.4
395.29419	4.2
397.30988	7.1
409.34436	8.7
419.33502	16.5
420.33685	3.6
437.34839	31.8
455.35873	49.6
456.35397	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	455.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02394	2.6
53.03944	4.3
53.17927	2.6
55.05501	19.0
57.07063	4.3
64.00622	2.5
65.00890	2.7
67.05499	24.4
67.87637	2.4
69.07060	22.7
70.59053	7.0
71.04980	4.0
73.06579	3.7
79.05486	19.9
81.07049	71.9
83.08618	12.1
91.05476	20.7
93.07037	45.7
95.08594	100.0
96.08964	3.2
97.10140	4.8
97.16857	3.3
98.63264	3.0
105.07027	82.8
107.08586	82.0
109.06516	9.9
109.10156	59.4
111.08080	35.1
117.06992	6.1
119.08574	79.3
121.10137	57.9
123.08057	3.5
123.11713	19.4
125.09659	3.5
129.07047	3.2
131.08583	22.9
133.10126	73.4
135.08054	3.7
135.11682	38.9
137.09674	4.8
137.13290	5.8
139.07486	4.3
143.08568	4.6
145.10117	43.7
147.11671	91.2
148.12009	3.9
149.09660	8.4
149.13246	65.3
150.13567	3.1
153.09109	5.6
156.09410	2.7
157.10110	11.5
159.11652	35.2
161.09613	5.9
161.13243	53.1
161.14508	3.8
163.11201	10.9
163.14799	38.1
165.12741	4.6
167.10785	2.9
171.11685	10.1
173.13251	25.8
175.14848	35.4
176.15262	3.2
177.12727	3.9
177.16393	44.7
185.13287	6.5
187.14812	24.7
189.12706	4.0
189.16370	80.9
191.17972	19.2
195.95494	2.6
199.14844	11.0
201.16364	23.6
203.14459	5.6
203.17941	95.5
204.18248	6.0
205.15845	18.5
205.19528	15.2
207.17450	25.2
213.16400	9.2
215.17915	9.3
217.15884	6.6
217.19510	7.9
219.17458	5.0
221.18967	4.3
227.18027	7.8
229.19524	3.4
231.17474	5.3
235.16956	5.6
245.22734	7.7
247.16882	3.6
249.18510	14.6
252.30765	3.8
257.22525	3.2
315.41782	3.3
347.12769	3.4
385.54868	3.2
391.33560	12.3
397.30991	9.1
399.32443	3.7
409.34595	78.2
410.34991	6.4
425.34558	3.3
427.36002	3.6
437.34253	26.7
455.35477	31.7
456.35489	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	455.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.7
55.01866	1.9
55.05509	20.2
57.07064	7.8
65.03928	3.1
67.05503	21.5
69.07062	19.0
69.63783	9.4
70.07390	2.0
71.08611	2.7
79.05485	13.8
81.07050	39.7
83.04963	2.4
83.08615	31.9
89.06022	8.5
90.06327	2.5
91.05463	17.9
93.07038	32.4
95.04960	2.7
95.08603	84.4
95.33399	1.8
96.08930	2.6
96.18420	1.7
97.06551	2.5
97.10171	3.3
105.07025	46.1
105.90255	1.7
106.07287	2.2
107.08589	63.1
108.08892	2.5
109.06505	3.9
109.10149	39.7
111.08047	3.0
117.07011	3.8
119.08574	81.4
120.08955	3.0
121.06508	2.0
121.10136	54.2
122.10519	2.5
123.11706	13.5
125.09579	2.6
129.06966	3.0
131.08559	16.2
133.08588	2.4
133.10123	50.7
133.11139	2.6
134.10509	2.1
135.08075	2.6
135.11690	27.6
137.09529	2.6
137.13228	3.6
143.08539	4.5
145.10124	19.9
147.11681	41.0
149.09612	2.2
149.13254	23.5
151.11169	3.7
151.35272	2.1
153.09096	8.0
157.10089	5.1
159.11713	16.1
161.13242	23.6
162.13542	2.1
163.11163	2.7
163.14815	27.5
165.12723	5.5
165.26555	1.7
167.10687	3.8
171.11667	6.1
173.13197	12.8
175.11197	2.9
175.14815	31.0
176.15137	3.0
177.16380	35.6
179.10718	2.4
183.06052	2.1
183.11696	1.9
185.13304	2.2
187.14806	16.9
189.16385	100.0
190.16699	4.2
191.17931	13.5
199.14790	4.6
201.16374	27.4
203.17940	70.1
204.18227	3.8
205.15860	15.2
205.19496	3.0
207.17441	16.3
211.14737	2.5
213.16454	4.6
215.17937	8.0
217.15897	4.5
217.19461	3.4
219.17477	5.4
221.15392	4.6
221.19073	3.8
227.17969	3.7
229.19505	3.9
231.17375	2.1
233.18909	2.4
235.16891	13.6
239.17902	2.6
241.19485	3.1
247.16949	6.4
249.18501	10.6
261.18362	2.2
309.25598	3.5
329.11313	1.8
329.24597	2.9
355.26074	2.8
391.33484	11.0
409.34698	28.9
410.34998	3.5
411.32648	21.3
412.33081	2.3
437.34467	18.6
438.34604	4.0
455.35831	21.3
456.35471	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	455.3517
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
53.03936	2.4
54.33566	1.8
55.05509	13.5
57.07066	5.7
65.14197	2.0
67.05489	16.1
68.19210	2.0
69.07059	23.2
69.40234	13.2
79.05483	20.9
81.07055	43.1
82.48198	2.2
83.04975	2.4
83.08614	10.9
85.06516	3.1
91.05482	22.4
93.07043	57.4
95.08604	83.0
96.31316	2.1
97.10162	7.1
105.07022	45.2
107.08587	99.1
108.08932	4.7
109.06470	3.4
109.10152	46.9
110.13148	2.1
111.08059	3.9
117.07008	9.8
119.08576	100.0
119.09428	5.6
121.10143	53.4
123.08047	3.1
123.11701	19.4
125.09700	2.6
129.06889	2.5
131.08578	23.5
133.10127	71.9
135.08049	2.4
135.11690	51.1
137.13263	6.8
143.08568	4.6
145.10117	42.3
147.10571	4.8
147.11676	56.2
148.12057	2.6
149.13243	34.3
151.14742	2.3
153.09102	7.7
157.10115	7.5
159.11678	39.0
161.13248	37.8
163.07597	4.8
163.14809	45.6
165.12747	6.1
167.10564	3.8
171.11719	10.7
172.12305	2.9
173.13260	27.6
175.14813	26.9
177.09117	7.5
177.16403	21.7
179.14287	20.1
185.13264	8.8
187.14821	29.4
189.16370	90.6
190.16647	2.6
191.17900	21.6
197.13321	2.4
199.14821	8.4
201.16383	64.7
202.16707	2.7
203.17952	67.5
204.18367	5.7
205.15919	5.7
205.19518	3.5
207.17427	18.8
211.14680	3.7
211.98563	2.3
213.16376	9.0
215.17949	35.9
217.19499	8.9
219.17467	7.1
221.15425	5.4
221.19017	10.0
225.16377	2.5
227.17986	7.4
229.15919	5.3
229.19473	34.3
231.17404	4.2
231.21158	5.5
233.15457	6.0
233.18954	3.7
235.16882	15.8
239.17856	4.1
241.19438	11.1
243.21048	23.7
245.22644	3.1
247.16931	42.9
247.19443	3.4
247.20605	3.5
248.17169	2.9
249.18513	6.6
255.21040	13.3
257.22696	7.4
261.18396	7.2
261.21951	2.5
267.21072	3.7
269.22574	9.4
273.18478	4.0
273.22021	3.0
275.20132	13.1
287.19934	11.1
289.21500	14.8
295.24237	6.2
301.21686	11.8
303.23044	4.7
313.25180	4.6
315.23148	10.4
327.23151	3.7
329.13251	2.4
341.24707	2.7
391.33521	22.6
409.34641	59.5
410.34796	6.9
437.34094	79.3
438.34326	8.3
455.29480	2.6
455.35281	50.7
456.35120	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	455.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.8
55.05508	17.9
57.07069	5.1
58.22024	1.2
61.78146	1.4
65.03937	1.5
67.05509	21.7
69.07069	23.1
69.69083	7.3
71.04977	1.8
71.08611	1.8
79.05498	14.5
81.07056	37.2
82.07382	1.6
83.04961	2.9
83.08617	35.9
85.06554	2.2
91.05470	15.1
93.07044	36.7
93.07616	2.6
95.04964	3.4
95.08605	78.9
97.06551	1.9
97.10176	4.5
98.23347	1.3
105.07028	39.8
107.08591	60.1
108.08942	1.5
109.06515	3.8
109.10157	32.0
111.08075	2.6
111.11729	2.1
114.93124	1.5
117.07010	6.2
119.08578	81.3
120.08932	2.9
121.10144	53.4
123.08073	3.7
123.11707	12.1
125.09634	2.6
129.06970	1.8
131.08548	12.3
133.10129	55.6
134.10498	1.6
135.08102	2.7
135.11682	26.8
137.09599	2.2
137.13261	4.7
139.07545	2.5
139.08821	1.1
139.11131	1.8
143.08566	4.2
145.10107	23.3
147.11684	43.6
149.09680	1.6
149.13254	18.1
151.11218	1.6
153.09109	5.8
155.08609	1.5
157.10139	4.4
159.11690	19.6
160.12416	1.8
161.13260	25.9
161.14539	2.3
163.11111	3.1
163.14825	24.9
165.09164	2.2
165.12740	2.8
165.16490	1.7
167.10724	3.6
169.10152	1.8
171.11693	4.0
173.13252	12.0
175.14821	30.5
177.12750	2.1
177.16391	34.5
177.17949	2.5
178.16730	1.8
179.14336	2.6
183.11679	2.5
185.13309	4.0
187.14822	17.6
189.16382	100.0
190.16748	5.0
191.17935	14.2
193.15924	2.2
197.13249	1.9
199.14815	4.8
201.16391	25.8
202.16707	1.4
203.17941	70.4
204.18272	3.4
205.15895	12.3
205.19594	2.7
207.17422	12.4
213.16391	7.3
215.17973	8.8
216.51538	1.4
217.15887	3.8
217.19565	5.7
219.17410	6.8
221.15359	2.2
221.19025	3.1
223.16890	1.9
227.18016	2.9
229.19521	4.8
231.17426	3.5
231.21069	1.8
235.16896	10.8
241.19504	2.4
243.21027	2.6
247.16986	5.3
249.18520	11.6
253.19458	1.7
255.21031	2.1
259.16916	2.7
261.18652	1.7
275.19974	2.7
295.24216	1.9
301.21292	2.0
309.25745	1.6
327.22885	1.7
329.24646	2.8
335.27316	1.9
341.24384	1.4
355.26270	2.1
355.30429	1.6
365.31952	3.2
391.33752	9.7
409.29861	2.0
409.34711	23.5
410.35199	2.1
411.32565	17.5
412.32581	1.8
437.34387	20.4
438.34695	2.3
455.35733	23.2
456.35471	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.352
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
53.03951	5.2
55.05509	18.5
56.26913	2.8
57.07074	9.1
57.90351	3.7
67.05504	33.9
69.07066	26.7
69.63691	13.5
69.64066	5.6
71.04986	4.8
75.84692	3.3
77.03873	3.1
79.05504	23.2
81.06620	5.7
81.07059	59.3
83.08593	16.3
85.06573	6.0
91.05490	31.1
93.07053	60.0
95.04992	6.1
95.08614	100.0
97.06521	7.3
97.10157	6.9
105.07030	55.7
105.07725	3.2
106.07359	4.0
107.08598	94.2
108.08953	3.4
109.06529	3.8
109.10157	48.6
111.08099	8.2
116.04226	3.2
117.07018	10.6
119.08585	92.7
121.06509	3.5
121.10146	75.0
122.10494	3.7
123.08093	7.1
123.11707	19.7
125.09616	7.2
129.06978	5.1
131.08537	25.6
133.10132	65.8
134.10516	3.6
135.08006	4.4
135.11699	46.2
137.09605	6.0
137.13257	5.7
139.07564	3.5
139.11172	4.3
143.08553	10.9
145.10139	51.4
147.11688	53.3
147.12849	3.6
148.12030	5.1
149.13284	25.9
151.11220	7.8
151.26051	3.1
153.09085	5.0
156.09276	3.6
157.10185	16.3
159.11694	44.5
161.13286	34.9
163.07558	7.9
163.14806	29.4
165.12810	7.4
169.10109	6.3
171.11713	17.9
173.13260	27.5
175.14813	31.0
177.09164	7.1
177.12784	3.5
177.16376	29.3
178.16687	4.1
179.14342	12.8
183.11678	6.7
185.13268	14.0
187.11253	3.3
187.14803	27.4
189.16399	79.6
189.18027	6.5
190.16718	6.6
191.17975	17.4
197.13248	4.1
199.14867	12.3
201.16377	51.0
202.16714	5.5
203.14302	4.0
203.17946	63.5
204.18350	4.7
205.15839	7.8
205.19402	4.0
207.17397	15.3
211.14824	7.1
213.16434	11.3
214.07445	3.3
215.14299	4.4
215.17953	23.1
217.15807	6.8
217.19547	9.2
219.13765	4.3
219.17317	4.1
221.15395	5.7
221.19060	10.7
225.16434	3.3
227.17944	10.1
229.15944	9.2
229.19498	22.8
231.17467	3.6
231.21097	4.4
233.15462	5.2
235.16896	7.2
239.17999	3.7
241.19521	8.3
243.21078	24.4
247.16933	28.2
248.17317	3.1
253.19482	3.7
255.21156	8.3
261.18512	5.7
267.21069	3.7
269.22440	4.9
273.18585	3.6
275.20135	10.9
287.20212	7.2
289.21616	9.7
303.23480	5.7
313.21884	4.4
315.23306	10.9
315.66287	3.2
326.00464	3.2
335.25952	4.2
341.24487	3.5
391.29456	4.8
391.33746	11.0
409.30304	9.3
409.35263	31.8
437.34564	46.4
438.34512	6.4
455.21646	7.4
455.30853	21.8
455.35300	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.9
54.58451	1.5
55.05510	19.2
57.07066	6.4
65.03940	2.9
67.05507	27.1
69.07066	26.6
69.10410	3.9
69.10819	9.6
71.08616	1.6
75.02172	1.4
79.05481	17.9
81.07056	60.2
83.04981	2.1
83.08624	24.8
87.38306	1.4
87.39982	1.7
87.73351	1.6
90.15562	1.4
91.05484	20.3
93.07047	43.9
94.32229	1.3
95.04962	2.5
95.08606	100.0
96.08930	2.6
97.10155	3.6
105.06343	2.8
105.07033	44.3
106.07304	1.6
107.08595	66.9
108.08952	1.8
109.06521	3.6
109.10157	38.5
111.08080	2.4
117.07014	5.8
119.08578	63.1
120.08886	1.7
121.06510	1.6
121.10142	54.2
122.10464	1.6
123.08067	2.4
123.11709	20.2
125.09627	1.5
129.07019	3.5
130.07875	1.4
131.08572	17.0
133.10124	50.1
135.08022	2.9
135.11696	38.7
136.12029	2.6
137.09601	2.8
137.13257	22.4
138.13580	1.5
139.07570	2.0
142.07762	2.7
143.08563	8.7
145.10115	24.4
146.10495	1.7
147.11690	32.9
149.13263	31.4
151.11191	1.8
151.14798	4.2
153.09105	5.1
155.08543	3.3
157.10190	8.2
159.11702	20.3
160.12021	1.5
161.13239	23.4
162.13559	2.1
163.14816	17.9
167.10655	1.5
169.10100	2.6
171.11674	11.4
173.13275	16.5
174.13838	2.3
175.11211	1.8
175.14832	29.5
177.09091	3.3
177.16382	38.7
178.16724	3.5
178.84828	1.4
179.10635	1.7
183.11696	3.7
185.13249	7.5
186.13875	1.7
187.11189	1.8
187.14825	14.9
189.12726	2.3
189.16380	59.8
190.16736	3.5
191.14304	6.1
191.17923	13.4
193.15942	1.9
195.11792	1.5
197.13240	4.6
198.13968	1.7
199.14861	7.3
201.12782	1.6
201.16383	27.0
203.14290	2.6
203.17957	54.3
203.19865	2.6
204.18263	4.5
205.15855	6.1
205.19455	2.5
207.17424	8.4
209.13388	1.9
211.14760	3.2
213.16367	10.4
215.14345	3.1
215.17932	13.2
217.12228	2.0
217.15868	3.9
217.19566	10.9
219.13785	4.0
219.17429	5.3
225.16435	1.5
227.17928	4.0
229.19440	3.4
231.13879	2.3
231.17429	10.0
233.18944	1.9
235.16916	6.1
239.17935	3.4
241.19525	5.9
243.17340	2.5
243.21233	2.0
245.15338	2.1
247.16948	5.3
249.18494	4.4
251.16492	1.8
257.19107	2.4
259.16959	4.3
259.20538	3.5
267.21149	2.5
269.22583	1.8
271.20825	1.5
277.18027	1.6
287.19940	4.2
299.19901	1.9
309.25745	2.2
313.21732	2.5
329.24832	1.9
391.34033	10.0
395.29794	2.2
409.30664	5.8
409.35287	19.3
410.35327	2.4
411.32571	10.4
437.34689	11.6
455.30768	11.9
455.35242	23.5
456.30917	2.4
456.36292	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	455.352
Annotation	Krukovine A
Peak:m/z	Relative Intensity
51.71187	0.5
53.03921	0.7
55.01847	0.7
55.05508	3.3
57.03399	0.9
57.07034	1.7
62.76379	0.6
67.05506	5.3
69.03404	0.9
69.07070	5.8
71.04958	0.6
79.05494	6.3
81.07056	13.9
82.07364	0.6
83.04942	1.2
83.08632	2.9
85.06512	1.2
90.49911	0.5
91.05494	6.0
93.07045	14.0
95.04942	1.9
95.08610	16.0
96.08914	0.8
97.06533	2.8
97.10148	1.3
99.08076	2.7
105.06361	0.9
105.07024	12.5
107.04957	1.2
107.08591	21.6
108.08891	0.9
109.06490	2.5
109.10157	10.2
111.08057	2.2
111.11677	0.7
117.07016	2.8
119.08585	24.8
120.08896	1.1
121.06522	3.5
121.09283	0.8
121.10136	12.1
123.08083	3.2
123.11700	4.6
125.05996	8.0
125.09577	0.7
129.06964	1.2
130.07800	0.7
131.08591	4.4
133.10127	24.1
134.10428	0.9
135.08055	4.0
135.11690	25.5
136.11969	1.4
137.09578	2.7
137.13176	0.6
139.07533	5.1
139.11165	1.0
142.07816	0.8
143.08589	3.4
143.93285	0.5
144.09387	0.6
145.06406	0.7
145.10133	12.8
147.08073	1.1
147.11688	13.9
149.09546	2.0
149.13249	3.7
151.11179	3.6
155.08549	0.9
156.09285	0.7
157.10143	3.4
158.10905	0.9
159.08040	3.0
159.11711	5.5
160.12480	0.7
161.09561	3.1
161.13249	5.1
163.11166	1.0
163.14812	7.0
165.09093	0.9
165.12744	1.3
167.08597	0.6
169.10081	2.3
171.11659	3.0
172.12450	1.0
173.09619	6.8
173.13275	3.4
174.13922	0.9
175.11185	6.4
175.14821	1.7
177.09113	5.1
177.12769	0.7
177.16402	0.9
179.14148	0.6
182.10880	1.2
183.11729	1.8
185.13283	1.5
185.37686	0.6
187.11179	10.5
187.12807	0.9
187.13145	0.7
187.14795	10.6
189.12848	1.2
189.16386	45.9
190.16724	2.4
191.10643	4.5
191.14305	0.9
196.12430	0.6
197.13298	5.2
199.14828	1.2
201.12764	1.8
201.16415	2.1
203.14333	1.0
203.17976	1.8
205.15848	6.3
205.19473	1.2
207.17442	100.0
208.17752	5.5
211.14734	3.8
213.16371	1.7
215.14319	18.1
216.14867	1.2
217.15927	1.7
219.17343	0.7
221.19000	0.9
225.16290	0.7
227.14297	0.8
227.17819	0.7
229.02855	0.9
229.15877	85.7
230.16238	6.8
231.17415	10.2
232.17644	0.7
233.15361	34.0
234.15689	2.5
243.17474	5.9
247.16931	26.2
248.17317	1.6
249.18611	1.0
257.18994	3.3
261.18622	0.7
269.18997	1.2
283.20529	4.6
285.22086	0.8
297.22177	0.8
301.21753	0.9
303.23352	0.8
419.33267	4.0
437.21136	0.7
437.34180	35.9
438.34525	4.8
455.35315	78.9
456.35648	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	455.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.3
55.05508	22.2
57.07069	8.6
59.44784	1.4
65.03933	1.7
67.05502	29.9
69.07068	28.2
69.80597	5.6
71.04970	1.6
71.08624	2.2
77.03939	1.5
79.05487	22.3
81.07051	58.0
83.04976	4.7
83.08613	22.4
85.06537	4.4
90.59560	1.5
91.04932	2.3
91.05470	18.6
93.07035	45.0
95.04964	4.9
95.08601	100.0
96.08967	1.9
97.06507	3.9
97.10148	5.5
105.07024	44.0
105.07741	2.5
107.08590	63.5
108.08926	3.2
109.06493	3.0
109.10147	35.4
110.10511	2.1
111.08084	2.8
117.07007	6.5
119.08569	69.9
121.06477	2.9
121.10133	50.4
121.10994	3.2
123.08045	6.8
123.11691	18.0
125.09610	3.7
129.06978	4.8
131.08556	17.7
133.06555	1.9
133.10123	52.9
134.10468	2.3
135.08061	2.7
135.11691	35.9
137.09625	2.5
137.13245	15.0
139.07623	2.1
143.08566	7.7
144.09346	1.9
145.10117	35.0
146.10402	2.5
147.11688	34.2
148.12018	2.1
149.09637	3.4
149.13251	22.6
151.07497	3.6
151.11214	1.6
151.14804	3.4
151.92044	1.7
153.09126	5.8
155.08519	3.8
157.10121	10.2
159.11681	21.4
161.09610	2.9
161.13263	22.7
163.11209	3.9
163.14819	17.3
165.12752	2.5
167.10704	1.9
169.10118	4.0
170.10664	1.9
171.11687	13.0
172.12434	1.5
173.09656	3.2
173.13272	16.4
175.11235	3.4
175.14807	26.4
176.15221	1.9
177.12680	2.3
177.16367	28.8
178.16727	1.9
179.10565	2.2
183.11711	6.2
185.13295	6.8
186.71515	1.6
187.11255	2.9
187.14809	31.0
189.12770	2.6
189.16374	58.0
190.16742	2.7
191.14415	2.2
191.17912	13.9
193.12233	1.6
195.11690	1.9
197.13269	5.6
199.11186	2.4
199.14763	8.4
201.12810	4.3
201.16394	21.8
202.16698	1.9
203.14259	2.1
203.17941	40.5
204.18279	2.3
205.15860	5.0
205.19449	2.5
207.17435	6.8
209.13202	2.8
211.14728	2.0
213.12782	3.2
213.16360	8.3
214.16594	1.8
215.14331	2.4
215.17978	5.5
217.12326	2.0
217.15939	3.7
217.19493	4.9
219.13815	4.6
219.17447	3.3
221.15295	2.3
223.14929	2.0
225.16376	4.8
227.17955	4.6
229.19569	2.2
231.17572	3.4
235.16939	5.7
237.16389	2.4
239.18018	3.1
241.15894	2.4
241.19554	3.3
247.16991	4.7
249.18495	5.2
255.17465	3.1
259.17001	2.7
273.18469	1.9
285.18677	1.9
287.16293	2.4
291.73154	1.7
355.26151	2.0
358.39218	1.6
365.32040	3.2
391.29315	2.4
391.33734	4.8
409.30240	3.3
409.35294	9.4
411.32446	7.5
419.29239	2.4
437.29218	3.5
437.34039	9.3
455.30679	25.3
455.35898	6.7
456.31586	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	455.3518
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
53.03933	4.1
55.05504	20.4
57.07064	5.7
59.04992	4.0
67.05502	31.9
69.03410	4.7
69.07065	25.8
69.60970	2.4
71.04985	7.2
78.88712	2.2
79.05496	25.9
81.07051	61.3
82.07407	2.6
83.04969	8.5
83.08622	14.4
84.35261	2.5
85.06535	4.7
89.11484	2.2
91.05471	26.7
93.07037	53.3
94.07386	2.5
95.04959	8.3
95.08599	83.7
96.08918	3.5
97.06513	12.7
97.10162	8.9
99.08069	4.5
105.07022	53.6
106.07351	3.1
107.08586	69.9
109.06488	6.9
109.10152	42.1
110.10429	2.5
111.08060	15.0
113.09548	3.2
117.07008	7.0
119.07740	3.9
119.08577	62.1
120.08938	3.1
121.06522	3.9
121.10139	66.5
123.08071	9.9
123.11686	20.6
125.09626	11.5
127.11194	5.3
129.06999	4.4
130.07791	2.8
131.08525	20.7
133.10112	48.2
135.08020	6.6
135.11691	36.0
137.09607	7.1
137.13261	3.2
139.11188	3.7
142.07787	3.4
143.08525	10.2
145.10118	33.8
146.96104	2.6
147.04381	2.7
147.08038	3.7
147.11673	45.2
149.09590	7.3
149.13254	30.5
151.11205	7.0
153.09071	4.2
156.09361	2.8
157.10078	15.0
159.11688	30.3
161.09612	7.7
161.13254	28.6
162.62234	2.4
163.11217	14.0
163.14812	17.9
165.09053	2.7
165.12708	7.2
168.52435	2.3
169.10147	5.3
171.11696	11.4
172.12247	2.5
173.09648	3.4
173.13243	23.6
175.11227	5.4
175.14854	19.5
176.15161	2.9
177.12762	5.7
177.16371	25.7
179.14250	3.0
183.11647	5.2
185.13240	10.4
186.13744	3.1
187.14813	20.6
189.12814	4.6
189.16373	43.9
190.16734	3.6
191.14307	10.1
191.17926	9.4
197.13217	5.9
199.11160	2.5
199.14795	9.6
201.12666	3.3
201.16386	19.5
203.14288	8.1
203.17943	37.3
205.15840	28.6
205.19559	8.0
207.17352	12.1
207.73967	2.3
209.15390	12.0
211.14795	3.8
213.16402	5.3
215.14307	2.5
215.17969	7.9
217.15875	6.9
217.19444	3.8
219.17484	11.4
221.18858	2.8
225.16412	5.2
227.17958	6.9
229.15938	3.1
229.19638	5.1
231.17407	6.4
233.15334	2.3
233.19044	3.5
235.16864	7.3
241.19368	2.8
243.17453	3.1
245.19035	3.6
247.17035	5.6
249.18469	8.7
253.19522	3.2
255.17215	2.3
257.19061	4.0
261.18433	3.4
261.22189	3.7
297.22208	3.4
301.21600	3.3
391.33557	4.3
397.30981	3.6
409.34778	25.9
411.32642	2.9
419.32977	7.1
425.34042	2.6
437.20502	2.5
437.29041	4.1
437.34714	35.6
438.35004	4.1
455.21936	3.2
455.35605	100.0
456.35831	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	455.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90651	1.1
53.03938	1.5
55.05505	5.1
57.07068	4.3
59.05000	1.7
67.05505	9.4
69.03420	1.6
69.07063	9.3
69.58333	2.4
69.58740	4.6
70.24444	1.3
71.05002	2.0
71.08628	1.6
71.23806	1.0
71.49554	1.2
79.05495	11.8
81.07056	26.8
83.04984	1.5
83.08624	4.7
85.12884	1.1
85.13428	1.1
87.04465	2.5
91.05465	5.7
93.07046	32.9
95.04981	1.7
95.08602	21.7
97.06526	10.8
97.10176	2.5
98.23295	2.3
105.07025	6.2
105.97089	1.1
107.04967	2.7
107.08585	33.1
107.09268	2.2
108.08870	1.2
109.06523	3.1
109.10159	14.9
111.08069	7.0
119.08568	4.4
121.06525	1.5
121.10143	63.0
123.08078	3.0
123.11711	10.6
125.05981	6.6
125.09638	10.5
131.08542	3.1
133.10124	3.5
135.11705	22.2
137.09602	2.9
137.13243	2.1
139.07518	1.2
139.11180	7.8
145.10104	2.1
147.11684	2.2
149.09592	10.9
149.13243	18.1
151.11179	8.0
153.09125	5.4
153.12762	6.4
161.13243	1.8
161.70773	1.1
163.11203	3.9
163.14830	2.8
164.11948	1.9
165.12758	1.9
167.10664	26.1
168.10989	1.4
175.11188	1.3
177.09106	7.8
177.16393	7.6
179.10724	1.7
181.12213	7.6
189.16357	1.2
190.47479	1.2
191.17943	6.7
193.12202	1.4
193.15846	2.8
195.10182	19.8
205.19502	31.2
205.21329	2.0
206.19803	1.2
209.11714	2.7
214.60942	1.1
221.15495	2.0
223.16949	2.6
229.19617	1.2
231.13753	1.3
235.16939	2.1
249.14819	9.8
251.16420	100.0
252.16783	6.3
263.16513	4.1
265.17950	7.7
273.25690	3.0
319.67896	1.2
392.58301	1.3
399.29004	3.4
413.61383	1.4
437.34271	1.9
455.35175	77.4
456.35532	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	455.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
55.05504	5.0
57.07074	9.3
59.04993	1.7
65.03946	1.2
67.05502	19.6
69.03419	2.6
69.07066	15.0
71.04991	1.9
77.31831	1.0
79.05499	12.0
81.07053	29.2
83.08624	3.5
87.04447	2.2
87.56529	1.2
89.70419	0.9
91.05479	12.1
93.07044	35.7
94.07342	1.6
95.04991	1.2
95.08604	20.1
97.06535	7.4
97.10178	1.7
98.22519	2.6
99.65844	1.0
105.07029	8.9
107.04962	2.3
107.08588	55.6
109.06506	1.5
109.10152	47.6
110.10503	1.5
111.08082	6.3
111.11703	1.5
113.23457	1.2
119.08593	4.6
121.06526	1.8
121.10139	57.6
122.10487	3.1
123.08076	3.6
123.11702	61.0
123.56493	1.1
124.12065	2.1
125.06002	7.3
125.09643	10.4
126.32155	1.1
133.07579	1.6
133.10107	4.8
135.08008	1.6
135.11693	26.0
137.09665	3.1
137.13240	3.1
139.11194	5.9
147.11711	2.2
149.09651	10.6
149.13254	86.5
150.13588	4.1
151.11169	6.0
153.09113	6.7
153.12793	2.7
159.11705	1.4
161.09665	2.2
161.13322	1.5
163.11211	3.1
163.14830	8.8
164.11899	1.3
165.12770	2.4
165.16454	1.3
167.10675	27.4
168.11008	1.4
177.09082	9.4
177.16357	1.3
179.10652	3.2
179.14279	1.3
181.12285	3.2
191.14252	1.1
191.17928	3.7
193.12300	3.3
195.10150	23.0
195.63254	1.3
205.12248	4.6
205.19516	30.1
206.19699	1.3
209.11737	1.4
213.02075	1.2
221.15341	2.5
223.13309	2.1
223.17038	2.3
229.23264	1.4
235.16899	2.4
247.16968	1.9
249.14876	11.2
251.16423	100.0
252.16763	4.7
263.16495	5.8
265.17993	4.3
275.16397	26.7
276.17023	1.8
291.19626	2.8
317.21164	3.8
319.22635	4.6
347.25845	1.9
418.27383	1.2
436.51807	1.2
444.37119	1.1
455.35187	73.6
456.35458	10.2
456.42081	1.5
456.44034	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.6
55.05505	3.9
57.07064	4.1
67.05511	9.1
69.07065	10.8
71.04987	2.8
77.70153	1.2
79.05489	8.8
79.09586	1.3
79.28742	1.2
81.07059	27.9
83.04939	1.7
83.08600	3.1
85.10117	1.3
87.04448	1.5
91.05483	6.0
93.06454	1.6
93.07046	31.3
95.05000	1.4
95.08610	21.5
97.06532	9.1
97.10197	1.4
99.04383	1.5
105.07048	7.6
107.04951	2.5
107.07925	2.6
107.08593	28.6
109.06483	2.3
109.10162	15.6
111.08062	7.4
119.08570	5.2
121.06542	1.6
121.10144	68.6
122.10528	2.7
123.08054	4.2
123.11711	7.6
125.05994	6.4
125.09610	8.5
131.08603	2.3
133.10127	3.8
135.08051	1.7
135.11696	23.2
137.09666	2.2
137.13234	2.0
139.11174	5.5
147.11685	2.7
149.09605	12.8
149.13260	17.4
151.11133	7.5
153.09120	7.8
153.12729	6.7
163.11186	3.5
163.14821	2.7
167.10660	27.3
177.09073	7.3
177.16402	6.5
179.10712	3.0
181.12222	7.0
191.17914	4.1
193.15974	1.7
195.10167	23.9
203.18068	2.0
205.15852	2.5
205.19514	36.5
206.19762	1.8
209.11809	2.5
223.16893	2.3
249.14903	9.2
251.16412	100.0
252.16762	4.2
263.16263	2.4
265.17987	4.3
273.25922	2.3
298.17230	1.4
348.10098	1.4
399.28851	2.2
455.35175	63.0
456.35666	6.8
478.27356	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3518
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
55.05518	20.1
57.07068	18.8
58.09811	3.9
59.60737	4.3
67.05499	29.5
69.07064	28.3
69.71695	15.8
71.04991	10.0
71.91207	3.7
79.05496	14.5
81.07057	41.5
83.04968	6.1
83.08615	17.3
85.06554	5.7
87.78894	4.0
88.07635	11.2
91.05483	15.0
93.07046	39.8
95.08607	52.5
97.06535	10.4
97.10155	11.5
102.09133	5.4
105.07034	20.0
107.08593	39.1
109.10130	26.9
111.08095	16.4
115.95599	3.9
117.06987	4.5
119.08553	30.0
121.10158	33.0
123.08070	6.2
123.11678	11.1
125.05849	4.0
125.09618	14.3
131.08537	11.7
133.10123	24.9
134.48402	4.0
135.08070	7.9
135.11667	24.3
137.09624	15.5
139.11032	4.3
145.10115	16.9
147.11690	16.0
149.09645	5.3
149.13228	14.7
155.10628	21.4
157.10143	7.0
159.11641	20.7
161.13255	8.7
163.14769	8.9
171.11749	6.8
173.11827	4.8
173.13260	16.0
175.14825	4.2
177.16397	6.6
185.13229	4.9
187.14890	9.5
189.16415	12.0
199.51172	3.7
200.20190	18.0
200.21808	4.0
201.16417	6.4
203.14343	4.4
203.17984	6.2
205.15886	8.9
213.16365	6.0
215.18208	5.0
217.15831	6.4
222.81647	4.4
229.15706	4.0
231.17435	7.3
283.26208	18.8
419.32794	5.3
437.34430	19.9
455.35373	100.0
456.35458	6.0
456.44049	30.9
456.70187	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	455.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.6
53.53086	1.8
55.05512	27.6
57.07069	10.0
63.46647	1.8
63.63168	1.8
65.03951	2.8
67.05164	3.0
67.05502	42.4
69.03439	2.6
69.07073	22.1
69.48788	2.1
70.15357	4.6
70.15759	3.4
71.05001	4.1
79.05491	31.4
81.03423	3.0
81.07056	84.4
83.04970	5.9
83.08612	16.2
85.06567	5.2
91.05478	29.3
91.81557	2.0
93.07038	60.9
94.07359	2.0
95.04957	4.3
95.08604	100.0
96.08945	2.5
97.06522	7.5
97.10143	8.2
98.23309	2.7
99.08101	2.3
103.05492	2.7
105.07021	52.4
107.04988	2.1
107.08591	63.8
108.08897	2.3
109.06530	3.9
109.10151	49.7
111.08098	5.6
115.05446	4.3
117.07014	10.4
119.08574	59.8
121.06488	3.9
121.10133	54.2
122.10468	2.5
123.08067	9.4
123.11710	24.2
125.09633	6.8
128.06177	2.6
129.07004	6.9
131.08575	20.8
133.06488	2.9
133.10123	46.0
134.10516	2.8
135.08049	4.4
135.11690	56.6
136.11917	2.5
137.09625	4.8
137.13252	33.3
141.07021	2.7
142.07788	2.4
143.08546	11.6
145.10124	26.5
147.08147	4.4
147.11670	34.0
149.09605	4.4
149.13243	37.7
151.07536	3.7
151.11227	3.1
151.14787	2.6
155.08565	4.1
156.09366	2.4
157.10118	15.3
158.10956	2.2
159.08064	2.3
159.11685	27.1
161.09592	3.4
161.13252	26.6
162.13567	2.0
163.07458	3.5
163.11211	3.3
163.14793	12.6
165.12730	4.0
169.10185	6.5
171.11691	13.9
173.09695	2.3
173.13278	19.0
175.11226	4.9
175.14806	20.4
177.12724	4.9
177.16382	24.7
179.14326	4.3
181.10098	3.8
183.11681	7.3
185.09590	2.6
185.13266	14.7
187.14795	14.6
188.15231	2.9
189.11237	3.7
189.12781	4.7
189.16362	25.7
191.14328	5.3
191.17921	8.6
195.11792	4.4
197.13292	6.5
199.14809	12.5
199.69681	2.4
201.12700	3.9
201.16389	22.1
203.14284	8.0
203.17944	32.8
205.12302	3.7
205.15881	7.4
207.13780	3.3
207.17464	6.6
209.13321	2.7
211.14830	6.8
213.12930	2.0
213.16402	9.2
215.14435	2.8
215.18002	8.8
217.12192	3.2
217.15831	3.5
217.19562	6.4
219.13910	2.8
219.17416	5.8
225.16367	4.2
227.17946	5.5
229.15919	3.2
229.19501	7.9
231.13797	4.3
231.17485	5.7
233.15442	3.5
239.17900	4.2
241.19501	7.1
243.21121	3.0
245.15378	2.5
247.16869	6.1
249.18594	4.9
253.19328	2.4
255.21028	3.7
257.18954	2.4
259.16895	4.0
259.20624	4.9
263.16312	3.1
273.18530	2.9
275.19995	1.9
277.17911	3.3
285.22278	2.2
287.20157	2.4
307.24106	2.0
351.30539	2.1
373.28693	2.3
389.94363	2.5
391.29742	3.0
395.29510	2.7
401.27560	2.4
409.35114	18.1
410.35336	2.5
419.29257	3.9
425.34210	4.0
437.29681	9.8
437.34940	4.2
455.30502	24.8
455.35309	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	455.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.8
55.01876	2.8
55.05508	49.2
57.03431	3.9
57.07074	18.6
61.38528	2.3
67.05501	60.8
67.63577	2.5
69.07065	100.0
69.27963	18.0
70.06580	7.0
71.05001	5.9
71.08614	8.8
73.06564	2.8
79.05483	32.5
81.07052	98.0
83.04987	8.3
83.08613	43.5
85.06525	3.3
85.10209	2.8
88.07629	7.0
88.81073	2.6
91.05472	20.0
93.07033	53.3
95.04951	4.0
95.08598	76.4
95.88850	2.7
97.06529	17.0
97.10163	40.1
99.08070	5.2
102.09184	5.0
105.07012	16.0
107.04964	2.6
107.08582	27.6
108.47509	2.4
109.06577	2.8
109.10153	43.2
111.08080	10.1
111.11725	17.3
117.07063	3.3
117.16116	2.6
119.08580	21.1
121.10138	55.4
123.08082	5.6
123.11699	17.9
125.09598	5.8
125.13251	3.3
126.73804	2.6
133.10127	22.1
135.11673	19.9
137.09607	6.6
137.13242	6.3
139.11169	53.2
141.16774	3.5
145.10121	4.9
147.11676	18.9
149.09598	2.5
149.13257	14.8
151.11110	4.9
151.14766	4.4
155.10692	2.8
157.12270	16.7
159.11713	4.7
161.13237	11.7
163.14902	14.3
165.12752	4.9
173.13155	3.0
175.14790	10.0
176.62895	2.8
177.16307	3.4
179.14346	4.6
181.15883	4.2
187.14772	3.1
189.16376	8.7
193.15875	4.6
200.20102	27.5
201.16422	3.8
207.17447	2.9
221.10899	2.4
245.22610	23.4
261.22336	3.9
263.23700	32.6
281.24744	18.3
282.02686	3.2
283.26300	22.6
383.32874	4.1
401.34061	19.1
419.35168	27.5
437.34518	3.8
455.35486	6.9
456.44092	42.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29728	1.3
53.03946	1.9
55.01879	1.8
55.05518	2.6
57.03438	8.1
57.07072	3.8
58.40812	1.3
61.02921	3.0
67.05498	9.4
69.03435	6.5
70.06591	3.7
71.04994	53.8
71.30502	1.4
73.02925	2.1
75.04472	2.8
81.03429	1.7
83.04979	8.4
85.02905	77.0
85.06548	6.2
86.03259	1.4
86.14400	1.3
87.04481	2.1
95.04977	16.4
95.08594	2.2
97.02889	7.7
98.15682	1.1
99.04485	2.9
101.87302	1.3
107.04936	1.7
109.02889	3.2
110.07196	1.8
111.04441	11.2
112.07609	2.0
113.06004	60.0
114.06413	1.5
115.07584	1.8
127.03960	6.8
128.07121	3.9
129.05478	26.8
131.07040	100.0
132.07399	2.3
136.07460	1.1
137.09602	1.3
139.03946	2.8
145.04976	7.8
146.08113	2.0
146.09364	1.3
147.06511	13.6
152.07051	1.3
153.01840	1.7
163.06021	3.7
164.09187	2.3
191.71741	1.3
215.04001	1.5
244.12970	2.2
275.13913	1.3
281.01202	1.6
293.12323	4.7
294.15527	1.6
309.11789	1.6
456.15091	5.8
457.13052	9.4
457.17651	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	456.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.8
55.23972	1.1
57.03188	1.3
57.03435	9.8
57.07063	4.0
60.13155	1.2
61.02920	2.1
67.05494	9.6
69.03421	6.2
69.32831	6.7
69.33239	2.2
70.06578	5.5
71.04990	57.9
73.02932	1.7
81.03394	2.1
83.04981	7.2
85.02902	83.6
85.06535	4.3
85.40522	1.3
87.04458	2.5
94.10743	1.3
95.04968	16.6
97.02911	8.1
98.23375	2.5
98.61105	1.2
99.04439	1.8
105.41725	1.2
108.08112	1.2
109.02866	4.0
111.04432	10.9
112.07608	3.0
113.05999	52.9
115.07557	1.4
127.03912	6.9
128.07031	2.1
129.05473	25.5
131.07034	100.0
132.07376	2.8
136.07590	1.7
137.09720	1.4
139.03860	2.0
140.07106	2.1
145.04942	12.6
147.06503	14.2
150.22531	1.3
153.01804	2.7
155.08446	1.4
163.06042	3.4
164.09271	2.6
210.11797	1.4
293.12283	4.5
294.10214	1.9
456.15424	7.1
457.12341	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	456.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64892	12.7
66.44705	15.2
71.13548	15.0
71.13887	26.9
81.03432	19.6
90.64301	16.1
91.05479	26.7
93.07064	26.4
95.08589	19.8
100.11263	21.5
103.05540	15.7
105.07027	42.6
107.04957	23.1
107.08598	22.5
119.08554	17.9
123.04426	53.0
124.04689	17.9
133.10101	23.5
134.10625	14.5
135.08038	53.2
136.08392	33.6
137.05988	45.3
145.10193	17.7
147.04372	20.0
153.01862	27.8
163.07559	28.2
167.07004	25.6
181.08617	28.7
193.08636	58.8
195.10155	30.2
210.14874	22.3
283.09830	17.0
284.10089	23.2
331.66199	16.3
438.16644	18.7
456.23294	100.0
457.14771	58.8
457.24234	40.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50299	0.5
60.62763	0.4
62.55882	0.5
70.37086	1.0
78.04703	1.2
79.05483	1.0
86.66216	0.6
90.97750	0.5
93.23311	0.5
105.07008	0.9
106.04163	1.3
107.04953	0.9
123.04404	4.1
124.05161	1.4
132.58173	0.5
137.05977	0.6
149.05965	0.9
151.03831	0.8
152.04622	1.3
167.07027	100.0
168.07382	3.6
193.08560	3.7
208.52028	0.5
211.09657	7.9
388.64447	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64892	12.7
66.44705	15.2
71.13548	15.0
71.13887	26.9
81.03432	19.6
90.64301	16.1
91.05479	26.7
93.07064	26.4
95.08589	19.8
100.11263	21.5
103.05540	15.7
105.07027	42.6
107.04957	23.1
107.08598	22.5
119.08554	17.9
123.04426	53.0
124.04689	17.9
133.10101	23.5
134.10625	14.5
135.08038	53.2
136.08392	33.6
137.05988	45.3
145.10193	17.7
147.04372	20.0
153.01862	27.8
163.07559	28.2
167.07004	25.6
181.08617	28.7
193.08636	58.8
195.10155	30.2
210.14874	22.3
283.09830	17.0
284.10089	23.2
331.66199	16.3
438.16644	18.7
456.23294	100.0
457.14771	58.8
457.24234	40.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.6
55.01869	2.2
55.05509	1.9
57.03436	27.7
59.04985	1.7
59.18689	1.2
61.02922	13.4
67.05502	3.0
68.30067	0.9
69.03428	38.5
69.07060	2.5
69.88799	1.0
69.89138	4.7
71.01352	2.7
71.04984	2.1
73.02915	47.8
79.05486	2.6
81.03423	6.1
81.07065	3.8
83.04973	1.6
83.08626	1.8
85.02901	100.0
86.03242	1.4
86.21489	1.2
87.04467	3.1
91.03956	4.4
91.05485	2.1
93.07037	3.8
95.04955	1.1
95.08601	5.1
97.02887	48.7
97.67642	1.0
98.03217	1.5
98.23320	1.2
99.04461	3.6
103.03966	1.4
105.07029	3.6
107.04989	1.6
107.08570	5.7
109.02882	10.1
109.10141	3.3
115.03928	32.5
117.07008	1.1
119.08585	3.4
121.06508	1.5
121.10153	3.9
123.11646	1.5
127.03909	25.9
132.06580	1.8
133.04982	9.5
133.10150	3.1
135.11685	1.7
145.04948	46.5
145.10132	3.8
149.13263	1.3
150.07599	2.3
157.10150	1.4
159.11670	1.1
161.09563	1.2
163.06009	17.3
163.07318	1.6
165.09132	1.2
171.11644	1.1
173.13326	1.5
176.53052	1.0
180.08755	1.2
185.13257	2.1
186.13347	1.0
187.14709	1.5
189.16386	1.4
205.16017	1.1
211.14934	1.1
213.16341	1.3
223.05974	2.2
241.07100	4.6
259.08130	1.7
295.10300	1.0
360.96011	1.2
379.26434	1.1
381.81516	1.2
456.34933	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	457.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01371	0.8
53.03923	3.6
67.05489	1.4
69.03404	1.3
69.07061	1.0
69.13079	7.9
77.03908	1.0
79.05493	2.1
81.03391	2.4
81.07021	2.0
83.08584	1.3
85.02859	1.1
91.05455	1.2
92.02603	1.6
93.07034	1.2
95.04939	2.6
95.08595	1.6
97.57110	0.8
105.04503	1.5
105.07008	1.3
107.04898	1.0
107.08556	1.9
109.02852	1.4
109.10111	1.4
119.08549	1.3
121.10132	1.7
123.04427	0.9
133.10112	1.0
135.04399	71.6
135.11729	1.1
136.04755	1.8
137.05855	1.1
145.10136	1.4
151.03893	1.0
153.01764	2.6
161.02029	4.4
165.09084	2.3
171.11829	0.9
175.03647	2.1
175.07411	0.8
230.63754	0.9
319.07858	100.0
320.08093	6.7
337.08890	91.1
338.09119	3.6
360.10294	1.0
413.11896	2.1
439.19229	1.3
457.10852	62.9
457.24072	24.6
458.11078	5.7
458.24612	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1317
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33137	0.4
61.47683	0.4
62.30096	0.4
69.03432	0.5
69.07059	0.6
70.06564	0.5
71.04977	0.9
71.31253	0.7
81.03420	0.5
85.02885	1.6
97.02831	0.9
98.97583	0.7
115.07552	0.5
122.06052	0.7
123.07921	0.7
136.07529	1.7
137.05951	0.7
143.04869	0.5
149.02100	7.2
175.03651	0.9
185.04156	1.5
213.61131	0.5
225.56859	0.5
233.75272	0.5
244.40536	0.5
281.01184	0.6
293.07462	0.5
295.08017	0.8
311.07373	5.0
321.43207	0.5
331.10010	7.1
438.33170	0.5
439.11523	1.2
457.12793	100.0
458.13150	7.4
467.00012	0.5
468.57635	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34253	0.7
70.98191	1.2
71.04993	1.1
91.03194	0.7
95.01103	1.4
101.07918	0.8
107.04963	0.9
113.02155	2.3
123.04416	1.6
127.03893	1.1
131.07117	1.4
139.03900	1.3
153.01804	3.7
159.04245	2.3
163.03893	0.9
175.09969	0.8
177.05484	1.7
185.04291	3.1
189.05492	1.7
220.07079	1.0
271.85873	0.8
277.00403	0.8
278.07666	0.7
278.10162	5.5
287.05496	2.1
295.11703	1.3
320.55057	0.9
439.11975	1.4
457.16913	100.0
458.17059	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	457.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97028	1.2
55.05498	1.9
56.96556	2.4
66.71033	1.3
67.05495	2.9
69.03447	1.5
69.73640	6.5
79.05482	2.6
80.76269	1.5
81.03403	1.5
81.07036	3.0
91.05467	2.3
93.07040	1.5
95.04919	1.9
95.08596	3.5
98.23245	2.6
98.97571	2.6
99.04431	1.4
102.33279	1.3
105.07011	4.7
107.08573	3.1
109.10154	2.6
117.06950	1.5
119.08542	3.7
121.10147	2.8
123.11720	1.7
131.08597	2.7
136.17085	1.3
145.10080	3.4
147.07974	1.4
149.13272	1.2
159.11664	1.7
165.09099	2.7
171.11693	1.7
173.13313	1.9
241.11264	1.3
255.12767	1.7
278.32199	1.5
295.15747	7.4
313.10849	1.9
337.16931	7.2
457.21832	100.0
458.22391	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	457.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42883	0.8
55.05495	3.6
65.03926	1.1
67.05519	4.2
67.62052	0.8
69.03429	1.7
69.07055	2.9
71.04993	1.6
71.31876	1.0
77.19104	0.8
79.05467	3.1
81.03418	2.0
81.06703	0.8
81.07066	8.0
82.07385	1.8
83.04963	1.4
83.08615	1.5
85.02889	1.4
88.50483	0.8
88.70857	0.8
91.05470	4.0
91.49680	0.8
92.05812	1.0
93.07041	7.3
95.04980	1.6
95.08598	8.2
96.08945	2.2
97.02902	1.0
97.06490	0.9
103.05453	1.2
105.07021	5.7
107.08591	6.6
108.08905	1.2
109.02892	1.0
109.06504	1.2
109.10149	4.6
110.50461	0.8
111.08052	1.5
117.07057	1.1
119.08573	5.7
120.08928	1.0
121.10153	6.3
123.04448	1.3
123.11686	1.6
124.12128	0.9
129.06978	1.2
131.08545	3.5
133.06410	1.0
133.10074	4.6
135.07980	1.1
135.11703	4.2
136.12004	1.2
137.06006	1.5
137.09572	1.4
137.13260	1.2
143.08521	1.3
145.10124	3.5
146.10385	0.9
147.08034	1.0
147.11661	2.1
149.09630	2.0
149.13281	2.1
151.07527	0.8
153.01839	3.4
157.10173	1.9
159.11676	2.4
161.06013	1.3
161.13242	2.1
163.11244	1.0
165.09081	2.0
165.12827	0.9
171.11679	1.6
173.06067	1.0
173.13263	1.5
177.16438	2.1
183.11694	1.3
185.13300	1.1
187.11250	1.2
187.14803	1.8
189.12801	1.2
199.11153	0.9
201.12708	1.0
201.16373	1.4
205.15926	1.2
311.09244	1.5
337.17117	1.3
353.40002	0.9
411.31726	1.1
439.13397	0.9
439.31979	3.1
457.21823	100.0
457.32837	4.0
458.21848	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	457.222
Annotation	7-Deacetoxy-7alpha,11alpha-dihydroxygedunin
Peak:m/z	Relative Intensity
55.05515	6.4
57.07066	5.1
67.05502	10.4
69.03425	4.3
69.07066	15.9
69.91048	1.4
70.06594	2.8
71.05000	3.5
71.08622	2.4
79.05482	9.7
81.07054	21.2
83.04975	3.0
83.08616	5.5
88.07635	2.7
91.05479	8.7
93.07041	18.0
95.04971	4.7
95.08604	29.4
97.06577	3.1
97.10183	2.1
99.08070	2.4
102.09161	2.2
105.07038	17.4
107.04980	2.1
107.07874	1.0
107.08593	23.1
109.06508	5.6
109.10155	21.0
111.08079	3.8
111.11731	2.0
117.07000	3.6
119.08588	24.2
121.06516	3.2
121.09259	2.4
121.10140	31.0
123.08062	6.6
123.11710	10.7
125.09650	3.4
125.92072	1.5
131.08549	6.1
133.10107	16.7
135.08064	6.5
135.11687	12.0
137.05977	1.6
137.09584	11.2
137.13254	4.9
139.11188	7.4
143.08600	2.2
145.10106	10.1
147.08055	2.3
147.11688	14.9
149.05962	2.1
149.09618	8.1
149.13242	11.2
150.10338	1.7
151.11186	1.8
157.10173	4.3
158.10872	2.0
159.08095	2.4
159.11671	8.5
161.09605	4.8
161.13229	13.6
163.07529	1.5
163.11162	2.5
163.14870	4.5
165.09123	3.9
165.12798	2.0
167.10690	3.1
169.10109	1.3
170.10875	1.6
171.11691	3.8
173.09666	3.7
173.13200	7.7
175.07512	1.9
175.11259	2.7
175.14839	18.2
176.08380	1.8
177.09102	28.0
177.12764	2.5
177.16452	2.3
183.11626	1.9
185.13333	4.0
187.07549	1.8
187.14821	12.4
189.09152	2.3
189.12790	3.7
189.16403	8.9
191.07065	12.4
191.10667	2.9
191.14377	4.3
191.18040	3.1
192.07805	2.8
193.08597	15.6
193.12297	3.6
193.15900	7.8
199.14742	3.4
200.20119	6.9
201.09056	1.7
201.12712	2.8
201.16382	4.4
203.07054	2.2
203.14326	3.5
203.17931	17.6
205.08598	7.7
205.19446	1.6
207.13882	2.1
207.17468	2.2
209.15385	1.6
213.12862	1.3
215.14336	7.1
215.18048	3.2
216.07687	1.4
217.15866	4.4
219.06500	1.9
219.13850	2.0
219.17416	2.5
221.08034	1.9
221.15413	2.4
221.19038	1.9
228.11385	2.0
229.08644	3.6
229.12215	3.5
235.13284	7.9
237.14777	17.3
239.10579	1.5
239.17998	2.3
242.09477	2.4
243.10136	4.0
243.13857	3.2
247.13266	12.3
249.14865	2.2
253.12292	3.2
257.11673	11.6
257.19006	2.2
257.22595	1.4
258.12335	2.8
259.20593	2.1
261.14853	5.2
261.22238	1.5
265.19571	3.2
271.13281	6.0
281.11826	3.4
283.20508	4.6
283.26349	5.4
284.26544	2.4
289.14172	2.3
293.11734	2.2
299.12900	4.6
299.23978	1.6
308.14029	1.8
309.11230	2.5
311.23889	1.4
323.16333	3.5
327.12256	2.3
333.14764	1.6
341.17349	7.6
351.15866	6.7
368.16174	1.7
369.16965	10.6
377.32211	1.6
387.17984	3.0
393.20715	3.4
397.16446	2.3
403.33496	7.3
411.21674	4.1
421.19916	7.2
421.34671	72.1
422.34717	6.8
439.21152	100.0
439.36279	38.3
440.21515	12.6
440.36224	4.6
456.44104	8.9
457.22217	79.7
457.36575	31.0
457.44324	5.1
458.22498	8.0
458.37256	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	457.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22087	0.2
55.05505	1.4
57.07077	4.3
58.06565	0.4
67.05499	1.8
69.03407	0.3
69.07066	2.4
69.43624	1.5
70.06592	3.3
71.04973	0.5
71.06879	0.4
71.08630	2.9
72.08105	0.3
72.08952	0.4
73.02901	0.5
73.89703	0.2
79.05456	1.0
81.07056	4.1
83.04947	0.2
83.08614	1.1
85.10136	0.7
86.10470	0.2
88.07633	5.6
89.07941	0.4
91.05450	1.2
93.07049	2.7
95.04904	0.3
95.08611	4.9
96.08948	0.3
97.06488	0.9
97.10120	1.0
99.08114	0.3
102.09184	3.5
103.09473	0.3
105.07040	2.0
106.08638	0.3
107.07940	0.3
107.08595	4.3
108.08852	0.2
109.06480	0.4
109.10161	3.5
111.08028	0.4
113.95511	0.2
119.08575	3.9
121.06457	0.5
121.10151	4.3
123.04453	0.2
123.08043	0.7
123.11701	3.5
125.09526	0.3
131.08522	0.7
133.10136	2.3
135.08064	0.5
135.11674	2.7
137.09584	1.0
137.13214	0.8
139.07475	0.2
139.11182	2.2
143.08614	0.3
145.10133	1.4
147.11676	1.9
149.09550	1.0
149.13228	1.0
150.10385	0.3
151.11140	0.6
156.17387	0.4
159.11737	1.3
161.13248	1.4
163.14801	1.1
165.12703	0.3
167.10686	1.4
168.10945	0.3
171.11678	0.5
173.13234	1.5
175.11200	0.3
175.14810	0.7
177.16327	0.3
179.03381	0.4
179.14275	0.3
185.13142	0.3
186.14032	0.5
187.14798	1.1
189.12779	0.4
189.16400	1.4
191.14273	0.8
191.17952	0.4
193.15959	0.3
199.14771	0.7
200.20097	14.8
201.16513	0.5
201.20471	2.5
203.17964	1.4
205.04942	2.4
205.15933	0.4
206.03914	0.5
206.05753	7.9
207.06093	0.4
207.17360	0.6
209.15355	1.0
214.17099	0.3
215.18054	0.6
217.15839	3.2
218.21194	1.3
219.17397	0.3
221.08083	100.0
222.08446	4.7
229.19533	2.8
230.19772	0.2
231.17442	0.6
233.08075	2.9
235.13287	1.0
235.16908	0.3
237.14845	4.6
243.21165	0.3
247.20665	1.2
261.14859	0.3
275.12778	4.3
275.15561	0.4
281.12204	0.3
283.26312	12.7
284.26654	4.8
301.21237	0.3
421.34799	0.3
439.21448	1.3
439.36136	7.2
440.36368	0.4
456.44098	16.8
457.22308	9.5
457.36850	7.3
457.44531	11.2
458.22778	0.8
458.37543	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2406
Annotation	Lys Phe Tyr
Peak:m/z	Relative Intensity
69.03432	0.3
70.59769	1.0
71.43140	0.4
73.02900	0.3
73.06948	0.3
85.02892	0.6
93.07059	0.5
97.02910	0.6
105.07049	0.3
109.02901	0.5
109.10090	0.4
113.05982	0.4
127.01078	0.3
167.07095	0.4
187.89867	0.4
203.05243	3.5
205.12018	0.8
223.13133	0.4
277.17731	6.3
277.20566	0.5
295.18665	1.9
385.18332	3.2
457.24100	100.0
458.24402	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	457.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.4
55.01874	8.7
55.05507	71.7
56.09420	2.2
57.03432	2.5
57.07066	6.5
65.03933	3.1
67.05167	3.5
67.05506	68.2
69.03415	9.7
69.07062	35.7
69.52655	13.6
71.04984	9.6
79.05038	3.3
79.05490	42.4
81.07054	90.8
82.07381	3.4
83.04962	9.9
83.08120	2.7
83.08615	49.2
84.15852	2.2
85.06524	9.0
91.05471	32.3
93.07040	63.2
95.04970	4.9
95.08603	100.0
96.08923	3.4
97.06523	9.1
97.10165	62.3
98.10500	3.0
99.08105	5.1
105.07020	44.7
107.04973	2.9
107.08594	71.8
109.06492	9.1
109.09404	4.3
109.10150	60.5
110.10445	2.9
111.08079	9.6
113.09624	2.3
115.05489	2.7
117.07011	10.9
119.08580	57.9
119.88358	2.0
120.08868	5.3
121.06470	4.7
121.10136	57.5
122.10528	2.8
123.08036	9.7
123.11696	21.8
125.09621	57.5
129.07039	5.0
130.07745	2.5
131.08562	25.5
133.06464	3.7
133.10121	47.1
134.10468	3.3
135.08104	13.7
135.08910	2.3
135.10751	3.6
135.11685	40.8
137.09622	8.6
137.13234	8.6
139.07518	6.1
139.11169	6.6
141.06943	4.8
142.07796	3.3
143.08569	13.8
143.10670	2.9
145.10104	30.0
146.10411	2.6
147.08044	3.3
147.11673	27.1
149.09636	8.6
149.13263	17.9
151.07591	2.5
151.11153	7.8
153.09123	21.9
155.08527	7.7
157.10109	15.2
159.11667	26.2
161.09624	5.9
161.13245	16.2
163.11176	5.8
163.14835	15.4
165.12735	5.2
167.10672	5.4
168.09341	2.1
169.08832	2.5
169.10121	13.3
171.10284	4.0
171.11690	14.2
173.09573	3.7
173.13251	18.2
174.13647	3.9
175.07541	3.0
175.11147	4.5
175.14804	14.5
177.12711	7.1
177.16362	9.5
179.14331	3.2
181.10101	2.8
183.11662	9.7
185.13210	11.5
187.11147	4.2
187.14786	19.0
189.11226	52.6
189.12706	4.7
189.16371	21.6
191.14297	5.8
191.17966	7.9
193.10066	2.7
195.11665	3.9
195.13791	3.4
197.13263	5.0
199.14868	10.6
200.15245	2.5
201.12779	2.5
201.16396	13.5
203.14317	6.4
203.17975	9.2
205.12413	2.5
205.15860	7.9
205.19356	2.3
206.05702	2.7
207.17418	8.6
209.13411	3.9
209.15248	3.0
211.14688	3.8
213.16379	9.7
215.14355	5.7
215.17946	15.8
217.15782	5.0
219.13852	3.4
219.17526	3.0
221.08055	16.5
221.15215	2.6
225.16400	2.9
226.11256	2.2
227.17914	8.6
229.19537	6.4
231.17398	2.6
233.15277	3.8
233.19029	16.6
237.16414	2.9
237.18513	4.0
239.17874	12.6
241.19441	3.6
247.17065	2.4
249.14728	2.4
249.18549	5.2
251.20062	74.3
252.20390	4.4
253.19398	4.7
255.21199	4.4
257.19122	3.1
259.16840	3.5
261.18710	2.9
269.21121	60.2
270.21432	4.1
273.50186	2.1
275.12857	3.4
275.20203	2.9
285.18362	7.6
303.19525	4.7
357.27777	3.9
375.29678	4.1
385.27191	4.2
393.31293	8.5
403.28421	15.6
411.32846	5.3
421.30188	22.4
439.31677	24.8
440.32068	4.3
457.16104	3.8
457.21988	9.8
457.32413	41.4
457.36829	7.0
458.33301	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	457.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.4
55.01875	11.5
55.02114	2.4
55.05511	75.7
57.03432	4.4
57.07079	5.0
59.04990	6.4
65.03930	4.0
67.05503	74.3
69.03427	10.3
69.07063	35.3
70.23000	2.0
71.04975	5.5
71.31815	4.2
79.05494	50.7
81.07059	93.6
82.07363	2.4
83.04976	10.2
83.08617	46.6
85.06539	7.5
91.05473	28.7
93.07046	57.6
94.07380	3.8
95.05004	5.4
95.08607	100.0
96.08934	3.6
97.06528	8.8
97.10172	63.5
99.08076	5.9
103.05493	3.5
105.07030	47.3
107.04986	3.7
107.08593	87.7
108.08880	5.7
109.06522	7.3
109.10158	71.8
111.08094	11.7
113.09541	3.4
115.05425	3.3
117.07024	8.0
119.08569	54.6
120.08892	2.8
121.06496	8.4
121.10150	55.2
123.08053	7.2
123.11707	28.3
125.09632	60.7
127.07594	2.7
129.07021	3.9
131.08574	27.5
133.10141	43.3
135.08069	14.3
135.11682	36.1
137.09604	10.6
137.13260	8.0
139.07529	5.6
139.11183	8.7
142.07790	3.9
143.08487	14.3
143.10616	4.1
145.10126	31.3
147.08061	4.8
147.11691	32.5
149.06041	2.7
149.09642	5.8
149.13228	17.0
150.13649	2.6
151.11172	5.8
153.09123	21.5
153.12746	3.6
155.08513	4.6
155.10594	2.6
156.09471	3.2
157.10181	18.1
159.11693	21.0
161.09599	5.7
161.13217	24.0
163.11215	7.2
163.14888	12.0
165.12750	3.9
167.10632	3.7
169.10104	10.4
171.10281	5.1
171.11707	10.9
172.18430	3.0
173.11847	5.0
173.13269	19.8
175.11182	4.7
175.14844	19.4
177.12761	6.3
177.16385	6.8
179.14319	3.8
181.12123	3.0
183.11694	10.3
184.12363	2.9
185.13283	8.4
187.11128	4.6
187.14819	19.3
189.11235	60.9
189.12779	5.5
189.16386	23.8
191.14310	6.8
191.17905	8.3
195.11758	2.5
195.13876	4.9
197.13242	8.4
197.14935	3.0
199.14871	9.1
201.12737	5.5
201.16414	13.4
203.14346	8.6
203.17950	10.1
204.18225	3.9
205.15875	6.2
207.17461	13.1
209.13234	4.0
211.14830	7.7
213.16437	10.9
214.41559	2.8
215.14362	4.8
215.17949	15.3
216.18303	2.9
217.12216	3.1
217.15875	6.2
219.13647	3.0
219.17358	6.2
221.08080	14.9
225.16464	3.4
227.17979	7.5
229.19534	3.9
231.17468	4.2
233.15390	3.8
233.18980	20.2
235.17039	3.8
237.16440	3.4
237.18539	4.0
239.17963	12.1
241.19481	3.2
247.17024	4.8
249.18529	8.8
251.20076	81.3
252.20377	5.6
253.19618	4.7
257.18973	4.6
269.18420	4.7
269.21094	69.6
270.21414	3.9
273.18591	4.3
280.21500	3.0
285.18484	6.9
303.19693	4.2
322.11044	2.8
325.21359	2.9
375.30197	4.5
385.27676	4.2
393.31580	11.5
403.28476	19.2
404.28784	3.1
411.32446	10.5
421.29810	24.5
422.30127	3.4
439.31625	24.7
440.32159	4.1
457.16260	3.8
457.22202	4.6
457.32339	48.4
458.33157	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	457.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.5
55.01875	5.0
55.05510	21.8
57.07067	6.5
65.03938	3.9
67.05505	25.5
68.58842	2.9
69.03419	2.7
69.07066	27.4
69.65022	6.7
69.65432	11.4
71.04998	7.5
79.05502	23.7
81.03423	2.9
81.07055	66.3
82.07413	3.4
83.04977	8.4
83.08620	10.2
85.06537	7.1
91.05460	26.4
91.05900	2.7
93.07046	56.2
95.04982	7.1
95.08602	81.5
97.06530	20.1
97.10175	9.4
99.08114	3.7
105.07026	53.2
107.04992	3.5
107.08589	78.3
108.08873	3.1
109.06527	8.4
109.10153	67.0
111.08108	10.7
113.06017	4.2
115.05424	3.3
117.07014	7.1
119.08572	60.3
121.06491	8.8
121.10139	73.6
123.08097	11.3
123.11694	27.4
125.09637	8.3
131.08557	16.9
133.06491	8.0
133.10126	52.2
134.10509	3.6
135.08067	11.7
135.11681	63.8
137.06020	3.8
137.09645	8.8
137.13260	8.8
139.07591	3.6
142.07808	3.1
143.08554	11.8
144.09413	3.8
145.10127	31.2
147.08060	13.8
147.11658	45.7
148.12122	3.3
149.05991	5.9
149.09625	11.3
149.13252	32.7
151.07545	7.0
155.08592	4.3
157.10147	15.9
158.07213	3.2
159.08083	6.8
159.11681	29.5
161.05969	19.9
161.09608	11.7
161.13246	29.2
163.11176	9.2
163.14793	21.0
165.05518	7.7
165.09108	6.1
165.12840	3.0
167.07025	13.4
167.10745	3.2
169.08675	4.6
169.10143	5.5
171.11711	10.1
172.08885	5.1
173.09636	8.8
173.13211	15.5
175.07516	5.0
175.11163	38.2
175.14795	18.0
177.09090	4.3
177.12761	5.1
177.16434	7.5
179.14349	6.8
180.09352	3.3
181.10175	2.9
183.11696	6.5
185.13307	10.8
187.07733	3.7
187.11209	7.6
187.14827	15.0
188.08409	3.7
189.05237	6.6
189.09132	9.3
189.12668	15.9
189.16412	28.2
191.10747	6.5
191.14397	3.6
191.17937	18.1
193.12350	3.8
197.13275	4.4
199.11232	3.5
199.14879	9.3
201.09113	3.6
201.12758	9.5
201.16420	13.3
203.10670	15.0
203.14296	8.2
203.17915	16.4
205.12285	9.5
207.13800	4.3
207.17487	13.0
211.14828	5.3
213.16449	10.8
215.10699	11.7
215.14363	3.5
215.17940	7.6
217.12231	100.0
217.15736	4.5
217.19583	4.7
218.12675	6.0
219.13826	11.5
219.17433	3.9
219.21175	10.3
221.11713	14.2
225.16467	3.9
227.18001	3.7
229.12219	10.0
231.13794	53.7
231.17366	5.8
233.11736	9.9
233.15369	4.2
234.08664	12.9
235.13281	6.4
239.18033	4.3
249.14809	10.4
255.17546	4.0
255.21208	5.3
257.22665	14.8
259.16971	7.4
261.18619	5.9
267.17493	2.9
275.23477	3.7
277.18225	3.9
285.18463	5.1
299.20154	4.1
303.19739	5.1
305.21078	3.7
317.21124	4.6
327.19769	4.2
387.25052	5.4
403.29794	4.6
421.30798	33.1
422.31006	3.9
439.31967	60.0
440.32318	4.6
457.19217	4.4
457.32733	75.5
458.33301	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	457.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.4
55.05514	17.7
57.07042	6.2
59.04977	6.5
67.05503	24.8
69.03416	9.9
69.07065	26.6
69.11382	15.2
70.88680	1.6
71.04958	6.0
71.08629	1.9
71.54630	1.6
79.05488	25.9
81.07053	67.4
83.04949	5.2
83.08607	14.4
84.99162	2.0
85.06521	8.6
91.05473	22.8
93.07038	51.1
95.04929	6.4
95.08598	65.8
97.06515	13.8
97.10127	6.4
99.04407	5.0
99.08048	6.0
105.07027	44.6
107.04918	3.1
107.08588	59.4
109.06458	7.6
109.09412	2.7
109.10148	49.5
111.08031	7.6
111.11661	3.2
113.09595	1.8
115.07546	3.6
117.06953	6.3
119.04932	2.3
119.08575	42.5
121.06445	4.3
121.10136	59.6
123.08011	6.6
123.10882	2.5
123.11697	27.0
125.05967	10.7
125.08850	1.7
125.09622	20.9
127.07452	2.0
127.11131	6.0
131.08569	24.7
133.06401	2.6
133.10120	44.7
134.10330	1.8
135.08073	10.7
135.11693	37.8
136.11978	2.1
137.09532	6.4
137.13168	7.8
139.07564	3.1
139.11128	5.0
142.07729	3.0
143.08589	10.6
143.10526	2.3
145.06400	2.8
145.10107	27.1
147.04314	2.1
147.07977	5.7
147.10591	2.1
147.11681	30.0
149.09592	8.5
149.13242	23.6
151.11099	4.9
151.14735	2.3
151.67099	2.0
153.09026	7.3
155.08549	2.8
157.10120	16.0
159.07974	7.2
159.11668	26.2
161.09570	14.8
161.13229	18.9
163.07547	2.0
163.11107	6.6
163.14886	9.7
165.09026	4.2
165.12675	5.7
167.10605	4.9
169.10023	5.2
171.11676	9.8
172.12396	1.7
173.09492	5.4
173.13257	27.8
175.11179	4.5
175.13377	1.8
175.14801	19.4
176.15114	2.2
177.12654	6.4
177.16374	8.7
179.14200	2.9
181.10052	2.8
181.12135	4.5
182.10776	5.9
183.11575	6.8
183.13120	1.7
184.12321	2.2
185.13177	8.2
187.11125	4.3
187.14781	13.8
189.12563	2.0
189.16374	11.9
191.14265	4.7
191.17836	6.1
193.15800	8.1
195.13708	2.8
197.13246	9.5
199.14766	5.9
201.12698	19.7
201.16368	14.7
203.14201	7.5
203.17958	11.0
205.15977	8.9
207.17334	3.4
211.14822	3.8
211.16733	4.4
213.12761	2.8
213.16234	6.2
215.14305	83.9
215.17802	8.3
216.14566	6.2
217.15874	11.5
219.13809	28.6
219.17316	6.5
223.14780	2.8
223.16826	7.0
225.16354	3.7
227.17966	4.0
229.15692	6.7
229.19414	3.6
231.17352	3.4
233.15393	16.4
235.16890	2.3
237.18336	3.3
241.19499	2.9
243.17296	6.9
245.15297	1.9
245.18887	4.0
247.16861	5.7
249.18506	2.1
255.17296	2.6
269.18851	8.5
269.22461	2.4
270.66882	2.1
271.20251	2.4
283.20346	4.5
285.22195	2.1
299.20102	2.3
393.31146	4.8
403.29623	3.2
421.30237	21.4
421.35300	4.4
439.31165	46.5
440.32095	8.5
457.32687	100.0
458.33105	13.2
465.17798	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3311
Annotation	Ilekudinol B
Peak:m/z	Relative Intensity
53.03937	1.8
55.05503	7.5
57.07051	0.9
59.04991	1.3
67.05500	11.2
69.07069	7.7
69.19293	8.4
71.04988	2.6
79.05488	9.4
81.07053	23.3
81.94495	1.2
83.04958	1.4
83.08604	4.1
85.06506	1.9
91.05473	12.7
93.07047	21.5
94.07350	1.0
95.04943	2.1
95.08604	26.5
95.09211	1.8
96.08939	1.0
97.06505	3.5
97.10177	2.7
98.23460	1.9
98.97581	1.7
99.08089	1.8
102.70412	1.0
105.06361	1.4
105.07027	19.7
107.07919	1.9
107.08595	22.5
109.06538	2.5
109.10156	13.1
111.08062	2.7
117.07024	3.3
119.08576	29.0
120.08904	1.7
121.06477	1.1
121.10137	14.1
123.08046	3.6
123.11693	8.7
125.06036	1.8
125.09621	1.7
128.06175	2.1
129.06995	1.8
130.07770	1.4
131.08556	12.0
133.06432	1.2
133.09178	1.9
133.10129	23.3
134.10457	1.3
135.08031	3.6
135.11688	27.7
137.05940	1.2
137.09593	2.0
137.13266	2.0
139.11111	1.7
143.08621	5.8
145.10126	13.0
147.08076	2.3
147.11676	17.4
149.09586	2.5
149.13251	7.6
150.13628	1.2
151.11156	3.2
156.09329	2.6
157.10118	7.1
159.08051	2.9
159.11694	8.4
161.09615	2.4
161.13269	12.3
163.11151	1.6
163.14809	5.7
169.10112	2.7
171.11725	13.0
173.09624	1.2
173.13300	5.1
175.11203	3.0
175.14825	15.7
177.16350	1.3
179.14337	1.2
183.11668	2.8
185.13211	4.8
187.14821	9.2
189.12743	11.4
189.16374	30.9
190.16699	1.9
191.14317	2.8
191.17924	2.9
195.11685	1.8
197.13277	3.0
199.11179	3.6
199.14825	3.4
201.12749	2.3
201.16289	2.6
202.09839	1.9
203.14259	4.5
203.17972	1.9
205.15875	2.2
207.17426	45.8
208.17735	2.6
213.12808	6.7
213.16342	3.5
215.14233	2.6
215.17931	4.8
217.12241	70.9
217.15787	3.5
218.12550	3.9
219.13776	2.1
221.15256	1.9
225.16286	1.3
227.17926	1.8
229.19484	2.1
231.13870	8.4
233.15344	3.7
233.18947	1.3
235.13280	4.2
235.16975	1.8
239.18022	1.6
241.15666	1.6
243.17480	1.8
245.15446	1.3
249.14781	4.9
259.17053	1.7
265.17941	1.6
269.21115	2.0
271.20587	1.4
285.18536	1.2
330.50546	1.1
355.45554	1.3
375.30054	1.3
380.10797	1.1
397.31113	1.1
403.29510	1.5
411.32437	3.9
421.30853	8.9
439.32086	24.1
440.32465	2.3
457.32962	100.0
458.33310	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	457.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61973	0.7
53.03926	0.9
54.79434	0.6
55.05510	5.9
57.07067	5.4
59.05001	4.6
61.25484	0.7
65.03926	0.8
67.05160	1.3
67.05502	17.9
67.05859	1.0
69.03427	3.8
69.07066	11.9
69.54258	2.1
69.54671	2.4
70.06592	1.4
71.04983	3.9
71.08625	1.3
79.05489	11.2
81.07053	60.1
82.07387	1.9
83.04967	2.3
83.08598	3.6
85.06538	1.3
87.04472	3.2
88.07629	2.4
91.05468	8.2
93.07043	23.4
95.04954	1.2
95.08604	43.3
96.08945	0.7
97.06527	16.2
97.10155	3.3
99.08110	1.1
105.06360	1.4
105.07031	22.5
107.08594	26.8
109.06507	1.5
109.10153	45.6
110.10473	1.7
111.08102	3.9
111.11743	0.8
117.07024	1.2
119.08574	33.3
121.06499	2.4
121.10140	38.0
122.10452	1.1
123.08087	2.1
123.11703	33.0
124.12032	1.1
125.05979	1.2
125.09641	2.8
127.11199	7.3
131.08589	4.3
133.10121	18.9
135.08012	3.6
135.11674	8.8
137.09622	15.9
137.13246	1.5
139.07521	2.9
139.11177	27.2
143.08546	1.8
145.10123	4.9
147.11681	23.7
148.11983	0.9
148.80330	0.8
149.09613	11.3
149.13277	7.3
150.10397	7.5
151.11119	3.4
153.09113	1.1
157.10100	1.2
158.10843	0.9
158.28389	0.7
159.11604	3.6
161.09616	2.2
161.13240	11.8
163.11209	1.0
163.14812	7.3
165.09161	1.6
165.12747	0.9
167.10670	16.7
169.10304	0.8
171.69481	0.7
173.13264	4.5
175.14832	3.2
177.09145	1.9
177.12740	1.6
177.16341	5.6
179.10670	2.2
189.16321	3.7
191.10646	1.0
191.14294	8.1
191.17998	1.9
193.12212	2.0
193.15961	0.9
194.13104	0.8
195.10147	2.2
195.13814	2.1
199.14801	1.2
200.20114	3.2
201.16386	6.3
201.20364	2.5
203.17943	51.6
204.18306	3.2
205.15962	1.3
207.06532	2.1
207.13741	1.5
207.17393	0.8
209.11914	0.7
209.15382	13.0
219.13872	1.7
219.17458	1.8
221.08185	1.0
221.15529	1.4
221.19011	15.8
235.13251	13.3
235.16850	1.1
237.14847	100.0
238.15179	5.4
247.16873	1.0
249.14821	4.1
251.16382	4.2
257.22522	1.4
265.14334	1.0
275.13068	0.8
275.23688	3.1
283.26282	3.2
284.26685	3.5
316.34225	0.9
317.21100	2.3
358.26382	0.7
383.25800	1.2
383.58875	0.8
428.03070	0.8
439.31915	16.1
440.32336	1.5
457.32974	19.8
457.43851	8.1
458.32907	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3312
Annotation	Ilekudinol B
Peak:m/z	Relative Intensity
52.05461	2.9
55.05495	16.7
56.47299	3.7
57.07078	13.3
59.04980	3.9
67.05495	20.7
69.07070	25.9
69.10812	9.6
69.11230	20.3
71.05001	6.9
71.08611	4.3
74.01998	3.0
79.05505	19.8
81.07056	52.7
83.04979	4.0
83.08624	11.8
85.06551	3.0
91.05469	27.2
93.07044	48.6
95.04976	5.2
95.08603	100.0
97.06532	9.0
97.10138	7.2
102.46359	2.9
105.07021	38.3
107.08593	68.9
109.06523	6.6
109.10140	58.5
111.08068	3.8
113.38410	3.1
117.07048	8.9
119.08577	66.8
121.10141	78.1
123.11703	27.0
129.07002	3.6
131.08562	24.6
133.10123	47.4
135.08090	4.1
135.11690	49.4
137.09612	10.4
137.13287	7.0
139.11192	6.7
143.08572	8.6
145.10126	29.8
147.08086	4.6
147.11691	39.8
149.09595	5.6
149.13301	22.1
151.11205	4.1
153.09129	4.2
155.08582	3.3
157.10057	18.9
158.10765	4.0
159.11691	24.9
161.09579	5.5
161.13264	21.8
163.14790	31.0
165.09099	3.5
167.10735	4.7
171.11652	16.3
173.13258	26.8
175.11186	3.2
175.14871	20.8
177.12781	3.4
177.16331	14.9
185.13316	13.3
186.14110	3.5
187.14845	41.5
189.12952	3.6
189.16386	48.5
191.14336	5.3
191.17952	12.5
197.13356	7.2
199.14819	17.1
201.16405	26.1
203.17914	28.2
205.15855	34.9
207.17442	33.9
213.16426	8.8
215.18028	9.9
217.15906	15.3
217.19572	4.2
221.08167	3.5
221.19067	3.7
227.18042	10.8
229.19533	11.3
230.19997	3.8
231.17383	3.5
231.21007	3.4
235.13283	8.0
235.16995	8.6
237.14859	12.0
241.19589	7.0
243.21040	8.8
249.18512	6.2
251.04582	3.6
255.21053	11.7
257.22717	3.6
315.22711	3.7
329.13812	8.5
393.31467	16.9
397.31003	7.3
409.34399	5.7
411.32504	92.6
411.37567	6.5
412.32849	11.7
421.30273	5.3
421.35223	5.0
427.35751	18.5
428.35934	3.5
439.35739	10.5
444.35532	3.6
457.25723	18.1
457.37726	37.6
458.37076	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	457.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.4
55.01885	0.6
55.05511	6.5
57.07078	9.2
59.05008	4.2
65.03948	1.2
67.05503	22.4
69.03430	4.3
69.07064	11.5
69.33193	4.8
70.06588	4.7
71.04995	4.1
71.06940	1.3
71.08632	4.3
72.08954	0.8
73.02930	0.6
77.03899	0.8
79.05492	12.7
81.07056	66.2
82.07397	1.8
83.04987	3.2
83.08620	4.3
85.06556	1.2
85.10163	1.6
87.04455	3.9
88.07622	7.9
89.07953	1.3
91.05467	8.6
93.06448	1.2
93.07040	25.6
95.04967	1.7
95.08604	43.5
96.08926	1.4
97.06532	16.7
97.10175	2.8
98.06848	0.7
99.04398	0.8
99.08088	1.0
102.09157	5.3
103.05495	0.9
103.09534	0.8
105.04558	0.8
105.07027	24.5
106.07350	0.7
107.04993	0.7
107.08593	25.5
109.06540	2.5
109.10153	48.4
110.10506	1.8
111.08100	5.3
111.11739	1.5
117.07050	1.5
119.08578	37.8
120.08945	0.8
121.06542	1.8
121.10143	41.8
122.10497	1.0
122.37730	0.6
123.08072	2.8
123.11702	38.0
124.12024	1.4
125.05998	1.1
125.09618	3.3
127.11208	6.9
129.06981	0.9
131.08537	3.4
133.07516	0.9
133.10129	24.6
134.10609	0.6
135.08043	4.3
135.11690	9.9
137.09612	16.4
137.13269	1.7
138.10013	0.7
139.07544	2.6
139.11177	28.8
140.11525	0.8
143.08582	1.5
144.09294	0.8
145.10118	6.3
146.10948	0.6
147.11678	28.0
147.97244	0.6
148.12096	0.7
149.09622	11.1
149.13242	7.0
150.10382	8.8
151.11182	5.2
151.14838	1.1
153.09120	1.6
153.12692	0.7
157.10179	1.7
158.10867	1.7
159.11743	3.4
161.09633	2.5
161.13263	11.9
161.30836	0.6
163.11185	1.3
163.14809	6.9
164.85121	0.5
165.09088	1.0
165.12762	1.7
167.09258	0.9
167.10670	16.5
167.12019	1.1
167.14317	0.6
168.11014	1.0
171.11667	1.2
173.13225	5.8
175.11165	1.3
175.14801	3.5
177.09076	1.7
177.12798	1.3
177.16382	5.8
179.10709	1.9
185.13286	0.8
187.14917	1.7
189.12749	1.0
189.16377	5.1
191.10611	1.2
191.14305	8.3
191.17952	3.1
193.12256	2.2
194.13072	1.1
195.10158	1.7
195.13847	2.1
197.13254	0.9
199.11235	0.7
200.20091	14.7
201.12839	1.2
201.16385	4.9
201.20422	7.9
203.17943	55.3
204.18266	3.4
205.15897	1.2
207.13763	1.6
207.17426	1.2
209.15349	12.7
213.16460	0.8
215.17830	1.2
217.15915	1.7
218.21204	1.1
219.13768	2.1
219.17397	1.1
221.08098	5.0
221.15564	1.3
221.18980	18.0
229.19490	0.7
235.13271	14.2
236.13617	1.3
237.14842	100.0
238.15202	5.9
239.97614	0.6
249.14812	5.2
251.16388	5.2
257.22641	1.6
261.14651	1.5
274.17181	0.6
275.23654	2.0
283.26318	8.2
284.26678	13.5
299.23657	0.8
308.09116	0.6
317.21066	2.7
355.29834	1.6
379.29922	0.7
397.31210	3.7
421.30685	1.4
439.31726	20.6
440.32251	2.4
456.43860	2.4
457.32721	25.1
457.44250	31.8
458.33212	1.8
458.44284	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3313
Annotation	Wilforic acid B
Peak:m/z	Relative Intensity
53.03930	1.7
55.05514	14.3
57.03434	1.9
57.07084	4.3
59.04983	1.4
60.59144	1.2
62.86046	1.4
66.45473	1.2
67.05506	23.9
69.03435	3.1
69.07071	15.8
69.22247	10.9
69.22661	2.6
79.05494	17.1
81.07058	43.9
83.04977	5.7
83.08622	9.8
84.54287	1.4
91.05485	16.4
93.07038	30.8
95.04963	4.6
95.08607	55.8
97.06522	4.2
97.10184	7.5
99.08103	2.1
105.07027	34.9
106.07314	1.6
107.08593	49.2
109.06508	5.1
109.10153	32.3
111.08058	3.4
112.39246	1.4
117.07005	4.8
119.08580	43.3
121.06519	3.3
121.10142	34.0
123.08090	3.5
123.11694	12.5
125.09595	9.7
128.06296	1.4
129.07027	2.6
131.08574	12.6
133.10123	31.7
135.08081	8.7
135.11691	27.2
137.09563	2.1
137.13240	3.6
139.07523	2.7
142.07756	1.7
143.08556	6.7
145.10117	13.4
147.08125	1.9
147.11678	20.0
149.09644	8.5
149.13263	12.1
151.07501	1.8
151.11157	2.9
153.09119	1.7
155.08572	2.5
157.10126	11.2
159.08067	2.3
159.11737	13.9
161.09668	9.3
161.13220	11.6
163.11154	3.4
163.14847	15.2
165.12721	1.7
169.10066	3.2
171.11681	5.6
173.13284	10.0
175.11191	4.8
175.14833	23.4
176.15219	2.0
177.16348	11.0
179.14337	1.9
181.10185	2.4
183.11736	4.3
185.13266	6.9
187.14803	11.7
189.12822	2.0
189.16374	27.0
191.14301	2.1
191.17937	4.9
193.15736	2.4
195.13657	1.6
197.13268	2.0
199.14806	6.7
201.12740	2.5
201.16414	5.3
203.14323	11.7
203.17944	6.5
205.15820	4.7
207.17435	3.2
209.13200	2.6
211.14728	1.9
213.12715	1.8
213.16444	4.1
215.14314	1.7
215.18013	2.1
217.15849	7.3
219.17311	1.8
219.47231	1.6
221.08119	1.8
225.16339	3.2
227.17990	4.7
229.15929	1.9
229.19614	2.4
231.17418	2.3
235.16975	10.3
241.19649	2.2
243.17458	3.6
248.68149	1.5
249.18497	3.2
253.19598	1.8
261.22095	4.2
267.21228	1.7
269.18930	1.9
273.22247	2.0
278.73618	1.4
279.23364	9.4
285.21848	2.0
289.17953	5.2
297.24405	3.1
375.30478	2.2
393.31473	7.5
403.31918	4.3
411.32434	4.1
421.30347	7.1
425.12296	1.8
439.31821	49.3
440.32394	6.5
457.32080	24.5
457.36673	100.0
458.38202	11.1
477.02594	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75500	1.4
55.05516	12.3
57.03445	1.4
57.07074	20.6
58.07422	2.6
59.04997	4.1
64.17085	1.5
65.03928	2.7
66.70016	1.4
67.05166	1.6
67.05507	24.3
69.03423	4.8
69.07072	15.6
70.06591	16.4
71.04985	3.7
71.08627	8.4
72.08962	1.6
73.02901	1.9
79.05495	15.0
81.07054	39.1
82.07372	2.0
82.51460	1.2
83.04967	4.0
83.08620	9.5
85.10168	2.6
87.04459	3.4
88.07626	18.5
89.07947	2.8
91.05485	18.0
93.07046	35.2
95.04949	1.5
95.08606	55.8
95.09227	2.7
96.08936	2.6
97.06525	10.1
97.10162	4.7
98.22446	2.6
102.09195	11.8
103.09523	2.7
105.07027	38.2
107.04903	1.4
107.08598	42.8
109.06511	3.4
109.10157	35.2
111.08064	7.3
111.11746	2.3
117.07018	2.3
119.08581	36.4
121.06487	2.1
121.10146	49.2
122.10491	2.7
123.08083	3.7
123.11691	17.5
125.05965	2.3
125.09618	4.3
131.08522	6.6
133.10117	24.4
135.08051	4.7
135.11685	17.8
137.09624	43.1
137.13280	2.4
139.07527	4.2
139.11182	33.6
143.08569	2.0
145.10121	10.0
147.08025	1.3
147.11681	30.0
149.09639	11.0
149.13243	10.9
150.10374	8.7
151.07544	1.6
151.11205	6.6
151.14830	2.4
153.09062	2.4
157.10095	2.6
158.10896	1.6
159.11679	6.3
161.09631	3.2
161.13254	11.2
163.11172	5.3
163.14796	9.3
165.12769	1.9
167.10706	18.5
171.11687	1.7
173.09621	1.4
173.13287	6.2
175.11212	3.3
175.14810	6.5
177.09109	4.1
177.12726	2.2
177.16412	3.9
179.10669	3.7
185.13347	1.7
187.14819	2.9
189.12810	1.9
189.16356	8.4
191.10684	6.2
191.14331	6.2
191.17937	5.8
193.12238	5.6
193.15921	2.2
195.10150	3.5
200.20091	29.8
201.16376	3.7
201.20435	23.0
203.14244	2.1
203.17941	33.1
204.18396	2.5
205.12253	2.2
206.05722	1.7
207.13943	3.6
207.17538	3.7
209.15395	9.6
213.16438	1.4
217.19707	1.7
218.21213	2.8
219.21428	2.7
221.08067	14.0
221.15329	4.5
223.13272	1.9
233.15300	2.1
235.13290	42.9
235.16835	2.1
236.13754	1.7
237.14847	100.0
238.15216	5.2
247.13243	1.7
249.14865	9.7
251.16501	4.7
257.22614	1.9
261.14847	22.2
263.16589	2.9
265.18103	1.7
275.16354	5.2
277.18011	2.7
283.26291	23.8
284.26657	36.8
305.21054	1.7
317.21198	2.1
329.21155	1.7
331.22757	2.1
355.22781	1.6
357.24115	1.9
383.25626	2.8
387.28888	20.5
388.29166	2.8
391.58344	1.5
397.27448	1.9
402.24026	2.4
415.31482	1.4
439.31973	43.9
440.32407	6.3
456.44046	5.3
457.33194	24.8
457.44385	99.5
458.44745	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	457.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.5
55.01874	1.0
55.05507	8.2
57.03423	1.0
57.07068	3.2
59.05003	2.8
59.23139	1.1
63.62241	0.9
67.05508	17.2
69.03441	2.5
69.07072	11.3
70.06552	0.9
71.04991	4.0
79.05491	10.4
81.07058	61.0
82.07369	1.0
83.04981	2.1
83.08625	4.7
87.04468	2.2
90.58315	0.8
91.05476	10.0
93.07039	20.8
95.04972	1.8
95.08609	38.0
96.82698	0.9
97.06538	16.9
97.10164	2.2
99.04451	0.9
105.07034	21.9
107.08595	27.4
108.08949	0.9
109.06503	3.1
109.10156	42.2
110.10470	1.4
111.08109	5.6
111.11703	1.3
117.07030	2.0
119.08578	35.6
119.09428	1.9
121.06540	2.7
121.10150	39.2
122.10536	1.1
123.08067	3.4
123.11707	31.1
125.05990	1.2
125.09641	2.4
127.11194	9.8
131.08568	3.6
133.10126	22.7
134.10463	1.0
135.08051	3.7
135.11699	13.4
137.09615	15.7
137.13272	1.3
138.10033	1.0
139.07544	2.9
139.11179	23.8
143.08569	2.0
145.10135	7.1
147.08093	1.3
147.11687	28.3
149.09613	8.8
149.13251	5.7
150.10416	7.1
151.11174	3.8
153.09151	1.5
157.10149	2.3
159.11713	4.8
161.09547	2.1
161.13268	10.4
163.11261	1.7
163.14816	8.9
165.09148	1.2
167.10681	13.3
171.11745	1.6
173.13245	6.6
175.11194	1.9
175.14830	5.8
177.16406	6.5
179.10695	1.9
179.14305	1.2
187.14842	2.8
188.85970	0.9
189.12544	1.2
189.16391	12.5
191.14339	6.4
191.17970	2.7
193.12233	2.2
195.13739	1.4
199.14854	3.5
200.15416	1.0
200.20081	1.7
201.16348	5.9
203.17952	59.0
204.18340	3.7
205.16010	1.3
207.13864	1.2
207.17456	10.5
209.15392	9.0
213.16403	2.1
215.17987	1.0
217.15891	12.5
218.16135	1.2
219.13788	1.2
221.08099	1.4
221.15587	1.7
221.19008	16.9
231.17393	2.3
233.19141	1.0
235.13289	15.3
235.16904	1.3
237.14848	100.0
238.15186	4.5
249.14864	4.8
251.16455	3.0
257.22565	1.8
259.20633	1.4
261.14957	2.0
275.23727	3.2
276.89328	1.0
284.17987	1.0
284.26654	2.0
299.23785	1.4
317.21078	4.3
324.68689	1.2
345.27798	6.3
365.28238	1.2
403.33710	1.6
409.34518	3.3
414.68710	1.1
421.34937	9.2
439.31335	8.3
439.35739	19.7
440.36044	3.0
457.32162	7.6
457.36774	20.7
457.44556	3.2
458.37469	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3308
Annotation	CHEBI:69577
Peak:m/z	Relative Intensity
51.97963	1.6
53.03960	2.1
55.05510	12.9
55.44160	1.5
57.07075	4.7
65.03962	2.1
67.05501	21.7
67.57377	1.5
69.03423	2.3
69.07063	19.2
69.26148	4.2
69.26574	7.8
71.04993	4.2
72.73504	1.3
77.03933	1.5
78.46906	1.4
79.05489	14.7
81.07055	36.7
83.04985	4.0
83.08605	7.4
85.06541	24.0
91.05471	18.7
93.07043	36.8
95.04972	4.6
95.08604	50.2
97.06548	5.3
97.10172	3.7
99.08080	1.8
100.90765	1.8
103.05471	1.8
105.07023	37.6
106.07364	1.6
107.08595	52.0
108.08889	2.3
109.06522	3.0
109.10153	38.8
110.10508	2.0
111.08086	6.0
115.05417	1.5
117.07008	8.1
118.01273	1.6
119.08575	56.7
119.09437	3.2
120.08934	1.5
121.06534	2.7
121.10146	49.8
121.10999	3.2
122.10490	2.0
123.08060	6.5
123.11697	19.2
123.32254	1.5
125.06020	2.9
125.09638	4.9
128.06171	2.5
128.97333	1.6
129.07024	5.9
130.07756	2.2
131.08566	25.3
133.06473	2.8
133.10132	49.4
134.10466	1.7
135.08058	7.0
135.11694	48.7
136.12024	2.3
137.09612	4.8
137.13263	6.2
139.07533	1.9
139.11201	2.1
141.07018	2.2
142.07796	3.2
143.08531	10.7
144.09334	1.8
145.10120	32.6
147.08072	5.3
147.11687	34.6
148.12004	2.1
149.09636	4.8
149.13257	14.3
151.07593	2.9
151.11217	5.9
155.08510	3.5
156.09343	4.9
157.10130	21.7
158.10857	1.6
159.07974	2.7
159.11674	34.1
161.09636	4.5
161.13245	27.8
163.11166	3.4
163.14803	15.2
165.09125	2.7
169.08842	1.9
169.10173	5.7
171.11688	19.9
172.12445	1.4
173.09630	3.0
173.13266	18.6
175.11238	6.6
175.14862	11.8
177.12782	12.0
177.16385	8.8
179.14326	3.5
182.10913	1.9
183.11736	8.3
185.13239	23.0
187.11212	3.1
187.14824	20.7
189.12759	13.2
189.16362	34.5
190.12956	2.1
190.16742	3.4
191.10677	1.6
191.14339	5.7
191.17949	47.1
192.18291	3.4
195.11687	3.3
195.13698	1.6
197.13173	8.9
199.14813	10.8
201.12808	2.1
201.16354	15.5
202.16789	1.5
203.10672	2.1
203.14313	23.6
203.16045	2.4
203.17953	18.1
204.18544	1.9
205.12323	4.1
205.15921	5.0
207.11749	1.8
207.17398	9.6
209.13309	2.6
211.14844	5.3
213.12779	4.0
213.16330	8.2
215.14279	3.5
215.17960	5.8
217.12248	3.7
217.16052	2.6
217.19508	14.8
219.13782	2.7
223.13235	14.0
225.16359	5.1
227.14417	1.8
227.17995	3.1
229.15897	3.9
229.19519	2.6
231.13828	14.8
231.17332	2.5
232.14473	1.7
233.15361	5.5
235.13333	4.0
239.17999	5.9
241.15894	3.0
241.19624	4.2
243.17599	1.8
243.21066	2.9
245.15421	3.1
247.16945	4.7
249.14851	18.7
253.19563	2.8
255.17520	2.3
255.21008	2.9
257.19089	5.8
259.16895	3.2
265.19598	1.7
269.19147	3.8
271.17154	1.7
271.20514	4.9
279.23233	3.2
285.18564	2.7
287.20117	3.4
289.54361	1.9
299.19940	3.4
365.24677	2.5
375.30383	4.4
393.31558	19.3
394.31970	2.5
403.29623	2.3
411.33026	11.0
421.31036	47.2
422.31329	5.0
439.32083	100.0
440.32660	9.9
457.33649	37.5
458.33337	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	457.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.7
55.01869	2.1
55.05506	19.0
57.03442	1.9
57.07072	7.0
59.04984	2.5
62.53399	1.4
65.03938	3.3
66.87018	1.1
67.05497	28.9
68.97023	1.3
69.03431	2.2
69.07064	24.6
71.04982	5.8
71.08609	1.7
73.06556	10.5
76.12992	1.4
79.05488	24.9
79.05939	1.8
81.07054	60.1
82.07375	2.4
82.19589	1.5
83.04966	5.3
83.08605	23.4
85.06533	11.7
85.28559	1.4
91.05470	37.4
93.07037	55.1
94.07358	2.3
95.04951	6.0
95.08601	80.5
95.65868	1.5
96.08929	2.9
97.06531	6.8
97.10162	6.0
99.08065	6.9
103.05451	2.7
105.07024	94.4
106.07344	3.5
107.08589	78.8
109.06505	5.8
109.10153	48.3
110.10509	2.1
111.08064	5.7
111.11707	1.6
113.09706	1.6
117.07033	12.4
119.08572	100.0
120.08910	3.5
121.06496	5.7
121.10137	66.1
122.10481	2.5
123.08056	8.2
123.10886	2.7
123.11701	24.6
125.09623	3.3
128.06137	1.8
129.07019	3.7
130.07767	2.8
131.08556	49.5
133.06490	2.8
133.10124	88.3
134.10474	3.8
135.08022	4.9
135.11685	39.3
135.12634	0.8
137.09607	8.1
137.13252	12.2
139.07515	1.9
139.11186	3.1
141.06960	1.5
142.07756	1.7
143.08556	13.2
144.09296	4.3
145.10110	57.5
146.10548	2.8
147.08023	3.6
147.11674	61.2
148.12009	3.0
149.05956	2.6
149.09659	6.7
149.13243	35.8
151.11162	3.4
151.14803	3.1
155.08578	3.5
156.09277	2.3
157.10117	15.3
158.10925	6.7
159.08047	1.5
159.11696	55.0
160.12155	2.5
161.09619	2.5
161.13246	38.6
162.13612	1.6
163.07492	3.7
163.11185	9.0
163.14792	19.1
165.09135	2.0
165.12749	7.1
165.16325	1.4
169.10074	6.2
170.10698	1.7
171.11647	15.0
172.12332	2.0
173.09683	2.1
173.13257	62.1
174.13680	1.9
175.11188	5.2
175.14804	36.6
176.15134	3.5
177.09122	3.3
177.12794	11.9
177.16353	25.8
179.14337	5.0
181.10146	2.1
183.11681	9.5
185.09563	2.0
185.13249	18.8
186.13980	1.7
187.11308	4.0
187.14809	79.5
188.15125	4.3
189.12740	7.7
189.16360	50.5
190.13588	1.6
190.16737	2.6
191.10616	2.1
191.14278	16.7
191.17972	9.8
193.15762	3.4
195.11787	2.6
197.13242	7.0
199.11235	1.6
199.14825	12.8
201.12793	5.6
201.16357	30.1
203.14288	5.3
203.17992	12.1
205.13934	3.1
205.15868	61.1
206.05769	2.7
206.16231	2.5
207.13754	3.6
207.17380	9.4
209.13213	2.4
211.14784	4.1
213.12729	1.9
213.16399	6.3
215.14401	9.5
215.17909	16.5
217.12268	2.9
217.15886	4.2
217.19507	4.2
219.06526	2.4
219.13760	11.2
219.17358	10.0
221.08041	12.2
223.13092	1.9
223.14966	2.4
225.16418	4.1
227.17891	5.8
229.19453	5.8
231.13800	4.2
231.17476	2.7
233.15298	13.5
233.18941	3.0
235.13161	1.6
237.16360	2.2
239.17964	2.7
241.15839	2.5
241.19490	3.6
243.17366	1.9
243.20956	2.3
245.15318	1.8
245.18967	1.8
247.16830	2.1
251.17891	1.9
253.19423	2.8
255.17406	1.6
255.21059	2.3
257.19095	2.9
259.20682	2.2
261.14828	3.3
267.21347	2.1
269.18881	2.2
271.20450	2.0
273.18491	1.6
275.12564	1.8
279.70978	1.4
283.20767	1.7
293.22516	4.7
297.18378	2.1
311.23669	3.8
319.24319	1.9
339.23291	2.8
339.26859	1.9
349.29175	1.8
357.24350	2.3
367.29929	10.0
375.30539	9.7
381.31479	5.8
385.27301	4.0
393.26413	3.2
393.31512	65.2
394.31860	8.2
395.29260	4.5
403.31018	2.0
411.27609	2.6
411.32562	31.4
412.32727	3.4
413.30429	3.7
421.30902	12.0
439.32153	17.2
440.31818	2.0
457.22421	3.2
457.32806	36.9
458.33813	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	457.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39278	2.0
53.03936	4.5
53.15829	2.2
55.01883	3.1
55.05264	2.3
55.05509	27.4
57.03442	3.2
57.07069	8.1
59.05007	4.1
61.19071	1.8
65.03944	5.0
67.05503	43.2
69.03391	2.4
69.07068	29.0
69.33501	9.1
69.33926	5.0
70.27338	2.0
71.04981	4.9
71.08599	3.0
73.06568	10.3
79.05496	29.2
81.07056	74.3
82.07411	2.3
83.04975	5.1
83.08621	26.1
85.06531	12.7
91.05483	35.9
93.07049	53.7
95.04961	6.3
95.08607	91.5
95.09221	4.4
96.08936	2.4
97.06522	7.5
97.10157	19.1
99.08089	5.8
103.38371	2.0
105.07031	88.8
105.07740	4.4
106.07349	3.8
107.08589	85.7
108.08907	4.1
109.06503	6.5
109.10154	54.1
111.08064	8.6
115.05434	2.3
117.07034	10.3
119.08575	100.0
120.08886	2.5
121.06498	7.3
121.10144	64.2
122.10468	3.5
123.08084	5.8
123.11699	33.6
125.09634	13.7
128.06282	2.9
129.07005	4.7
131.08565	51.9
132.08942	2.3
133.10127	93.5
134.10524	2.8
135.08044	7.2
135.11687	47.9
137.09612	9.4
137.13263	11.2
139.07549	7.1
139.11209	6.5
142.07765	2.5
143.08534	15.0
144.09299	5.6
145.10117	57.0
146.10439	4.6
147.08060	3.2
147.11687	48.7
149.05975	2.7
149.09634	6.4
149.13258	32.0
151.07570	2.2
151.11183	7.1
151.14833	2.6
153.09116	8.4
155.08524	5.1
156.09381	4.2
157.10135	19.3
158.10938	7.7
159.08063	2.6
159.11691	57.4
160.12135	3.2
161.09576	7.1
161.13255	47.4
162.13687	2.9
163.11180	8.0
163.14816	22.8
165.11496	2.3
165.12796	7.2
167.10632	4.9
169.10144	8.3
171.11670	15.6
173.09709	3.6
173.13254	54.5
174.13751	3.4
175.11185	2.7
175.14827	35.1
176.15067	2.4
177.12717	12.6
177.16371	26.0
179.14297	4.2
183.11696	7.4
185.13242	18.2
187.11079	2.4
187.14806	66.3
188.15221	3.7
189.11191	10.7
189.12770	5.1
189.16374	43.7
191.14299	14.7
191.17976	6.2
193.12248	2.0
193.15948	3.9
195.11823	2.7
195.13692	2.5
197.13211	6.4
199.14841	9.0
201.12820	5.7
201.16359	26.5
203.14279	5.8
203.17996	16.7
205.12296	2.4
205.15880	65.5
207.13876	3.9
207.17445	8.0
211.14784	5.2
213.16302	10.3
215.14317	9.5
215.17894	13.4
217.15837	5.5
217.19543	4.7
219.13823	9.3
219.17397	12.6
221.08128	5.0
225.16370	4.0
227.17912	4.4
229.19524	5.2
231.13789	4.8
231.17413	3.4
233.15369	12.9
233.18979	4.3
235.13257	2.9
237.14651	4.1
237.18497	4.8
239.17973	5.3
241.19460	4.1
243.21049	2.7
247.17039	2.5
251.20111	14.5
255.17294	2.3
255.21100	4.2
257.18985	4.3
261.14780	3.0
269.21143	13.3
285.18512	3.7
285.21866	2.7
311.23605	4.5
315.19473	2.3
357.24136	2.9
367.29889	7.5
375.30112	7.8
381.31345	6.2
385.27512	5.7
393.31528	71.6
394.31754	8.7
403.28708	3.6
411.32681	29.8
412.32837	4.4
421.30826	17.6
439.31686	20.7
440.32446	3.0
457.17548	4.0
457.32941	57.2
458.33374	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	457.3314
Annotation	CHEBI:69577
Peak:m/z	Relative Intensity
50.18879	4.2
53.03941	7.8
55.01875	9.7
55.05510	26.8
57.03437	7.3
57.07077	8.3
65.03938	6.5
67.05504	51.1
69.03418	14.8
69.07075	30.2
71.05008	7.6
71.32617	7.1
73.02916	5.7
79.05486	30.2
81.03408	10.8
81.07056	81.6
83.04967	8.7
83.08609	21.3
85.02913	17.9
85.06548	36.1
91.05482	42.8
93.07053	78.7
95.04974	19.8
95.08607	100.0
96.08923	5.2
97.02905	6.8
97.06540	10.7
97.10165	9.0
97.55055	4.6
99.04472	7.7
103.05451	6.7
105.07038	78.0
107.04964	8.2
107.08605	93.8
109.02882	11.4
109.06534	15.0
109.10166	78.9
111.04434	4.0
111.08085	13.3
113.83910	4.1
115.03938	4.6
115.05365	6.1
117.07040	19.1
119.08586	90.7
120.08997	6.0
121.06537	5.3
121.10149	75.2
123.08066	13.6
123.11714	28.9
125.09634	5.4
127.03996	6.0
127.07600	6.3
129.06993	11.9
131.08551	36.2
133.06587	6.4
133.10153	76.3
135.08049	13.8
135.11699	65.7
137.05980	9.5
137.09618	9.5
137.13237	13.5
139.07663	4.6
142.07826	5.8
143.08591	22.9
145.05023	5.0
145.06522	6.7
145.10138	61.4
147.04384	5.2
147.08083	14.6
147.11687	63.5
149.02446	4.7
149.09631	13.9
149.13239	26.7
151.11186	6.3
155.08546	6.4
156.09354	7.0
157.10136	30.5
158.10699	4.7
159.11716	57.6
161.09648	7.0
161.13290	43.5
163.07661	5.2
163.11157	8.3
163.14824	26.8
165.09100	33.0
165.12827	5.7
167.08565	4.3
169.10165	11.9
171.11702	30.4
173.09657	6.6
173.13290	21.8
174.13777	4.5
175.07547	6.9
175.11180	14.1
175.14809	29.3
177.12737	21.9
177.16438	14.3
179.07092	4.6
179.14319	11.2
181.10080	4.6
183.11732	10.6
185.13277	44.6
187.11209	12.6
187.14806	31.8
189.12685	21.0
189.16418	38.3
191.14302	10.3
191.17960	67.1
192.18312	7.1
193.12405	6.1
193.19609	4.2
197.13277	10.6
199.14861	18.3
201.12807	5.0
201.16371	20.1
203.14372	33.3
203.17960	23.7
205.12280	11.9
205.15974	11.9
205.19482	5.8
207.17366	10.3
209.13300	5.9
209.15340	5.4
213.16412	11.5
215.18005	5.9
217.15912	7.8
217.19473	20.8
221.15381	5.2
223.13373	18.1
225.16031	6.3
226.81950	4.8
227.14505	5.7
227.18111	8.6
231.13840	14.8
231.17503	5.0
233.15431	4.7
235.13301	5.4
237.16447	5.6
249.14799	31.0
259.17035	6.1
313.10690	9.7
393.31696	23.8
409.30887	5.8
411.32574	25.6
421.31128	31.9
439.32129	78.3
440.32425	5.3
457.15115	7.4
457.23358	20.7
457.28839	3.9
457.32932	40.9
458.23920	5.4
458.33435	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	457.3314
Annotation	CHEBI:69577
Peak:m/z	Relative Intensity
53.03944	4.2
54.01813	3.4
55.05514	11.5
57.03437	4.0
57.07078	4.8
67.05507	32.4
69.03429	5.2
69.07076	25.9
71.04997	6.2
71.63318	3.3
79.05503	24.8
81.07056	62.5
83.08624	9.6
85.06544	8.8
91.05500	25.6
92.40711	2.9
93.06470	3.5
93.07052	58.8
95.04976	4.7
95.08023	5.7
95.08609	82.0
97.06539	5.1
97.10159	4.4
105.07033	42.2
107.08606	76.4
108.08890	3.1
109.06559	3.7
109.10155	61.6
110.10552	3.0
111.08055	4.8
111.11708	4.9
113.09668	5.6
117.07038	14.3
119.08585	64.6
119.37206	2.7
121.10152	57.3
122.10490	3.0
123.11706	22.7
125.09618	3.1
129.06995	7.5
131.08578	29.2
133.10136	56.5
134.54625	2.8
135.08037	4.6
135.11694	84.4
137.09602	4.7
137.13251	12.4
143.08565	14.4
145.10144	28.5
147.11687	41.6
149.09634	8.7
149.13263	27.5
151.14828	3.6
153.01822	15.1
154.05028	3.7
155.08527	7.1
156.09317	4.4
157.10159	24.4
159.11717	27.2
161.13275	22.5
163.11232	10.1
163.14813	34.1
165.09180	15.6
167.10588	4.0
169.10097	8.9
171.11703	25.3
173.09665	3.2
173.13246	28.6
175.14850	25.0
177.12730	6.1
177.16399	18.9
181.10107	4.0
183.11772	11.5
185.13271	43.4
187.14818	22.9
189.12790	5.7
189.16370	32.2
191.14333	5.5
191.17992	12.7
195.10059	3.4
197.13266	12.5
199.14876	25.3
201.12840	3.4
201.16296	7.2
203.14368	7.8
203.17952	26.6
205.12268	4.2
207.17438	5.0
209.11449	4.5
209.13307	4.0
211.14807	10.1
213.16380	13.7
215.14249	6.0
215.17908	5.9
217.12367	3.8
217.19435	6.4
219.13834	4.9
223.14891	6.4
225.16441	10.5
227.14294	3.9
227.17915	7.5
229.15883	6.1
229.19455	9.5
231.13794	3.7
233.15308	3.9
237.16397	7.4
239.17944	14.8
241.16016	4.3
241.19536	8.2
243.17548	3.7
251.17992	4.2
253.19444	8.4
259.17096	3.7
261.14865	5.7
265.19470	9.3
267.21262	4.0
275.16376	6.8
277.17914	5.5
279.21237	4.6
281.22528	6.4
285.18536	7.1
287.20023	4.7
297.18607	3.7
303.19556	4.4
329.21045	6.0
343.22821	3.9
375.30508	14.4
393.31519	46.7
394.31772	4.9
403.29858	4.4
411.32761	18.4
421.31137	43.4
422.31454	4.0
439.32111	100.0
440.32373	11.1
457.24054	52.7
457.33112	28.1
458.24255	6.3
458.33545	4.9
465.68332	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3314
Annotation	Norselic acid B
Peak:m/z	Relative Intensity
53.03942	8.7
53.86155	3.3
55.01871	5.8
55.05511	26.7
57.07068	8.4
61.17670	4.1
67.05505	38.0
69.03423	7.5
69.07070	42.7
69.49116	15.7
71.04984	11.0
73.06559	3.7
75.90814	2.7
79.05498	38.8
81.07063	76.6
83.04992	9.7
83.08596	19.7
85.06536	11.2
87.81055	3.6
91.05479	38.9
93.07047	67.0
95.04970	7.6
95.08610	97.8
96.08958	3.5
97.06535	9.4
97.10181	9.7
99.08120	8.0
100.61449	3.0
105.07035	88.2
107.08591	100.0
108.08936	4.7
109.06535	13.5
109.10151	68.6
111.04433	3.2
111.08089	10.5
113.09608	2.9
117.07002	12.5
119.04992	3.1
119.08583	97.1
120.08944	4.4
121.06516	10.4
121.10144	80.1
123.08099	14.8
123.11709	30.3
125.09641	8.4
129.07030	7.2
131.08574	47.6
132.09076	2.9
132.46887	3.3
133.06516	3.0
133.10138	78.8
134.10513	5.7
135.08072	14.8
135.11694	62.6
136.11996	3.6
137.09599	12.8
137.13260	11.7
139.07628	3.8
139.11119	6.6
141.07108	5.4
143.08521	20.1
145.10112	57.5
147.08032	9.1
147.11697	55.8
148.12016	5.5
149.09637	14.8
149.13240	25.3
151.07501	5.4
151.11201	7.7
155.08557	9.5
156.09299	3.8
157.10175	21.2
158.10709	4.4
159.08054	10.9
159.11696	45.9
160.12234	2.9
161.09685	7.5
161.13245	40.8
163.11179	13.9
163.14774	26.4
165.12741	8.5
169.10123	9.1
170.10880	4.0
171.11667	23.1
173.09587	4.5
173.13271	46.6
175.11206	10.4
175.14839	30.8
177.12749	14.1
177.16386	18.4
179.08679	3.1
179.14366	9.3
181.10130	4.0
183.11676	7.2
185.13284	22.6
187.11285	5.3
187.13301	5.8
187.14813	57.8
188.15205	5.7
189.12787	24.8
189.16403	49.4
190.16679	4.3
191.14362	18.8
191.17935	28.3
195.11667	5.1
197.13255	10.4
199.11201	5.3
199.14838	13.3
201.12764	13.5
201.16377	20.2
203.14313	14.8
203.17918	13.0
205.12242	3.6
205.15880	32.5
207.13800	3.9
207.17435	41.0
209.15411	9.2
211.14856	10.7
213.12798	5.4
213.16426	13.6
215.14354	10.8
215.17891	15.5
217.12277	13.8
217.15851	6.2
217.19574	6.4
219.13869	5.5
219.17461	10.8
223.14813	4.2
225.16380	6.5
227.17960	7.2
229.15942	6.7
229.19409	4.2
231.13783	8.0
231.17387	8.4
233.15414	10.2
235.13223	7.4
235.16902	7.6
239.17992	5.4
241.19617	7.9
243.17438	5.2
247.16933	11.7
249.14844	4.9
249.18547	6.7
253.19540	4.3
255.17326	3.6
255.21129	4.2
257.18930	4.0
257.22794	4.3
265.17975	4.1
267.21249	3.4
271.20731	3.6
275.20108	3.8
281.53714	3.2
287.20078	3.9
295.24213	4.1
301.21622	8.4
303.19812	4.4
311.23715	3.2
323.23746	4.1
375.30695	8.7
393.31598	42.8
399.28735	4.3
403.29138	5.3
411.28528	12.9
411.33383	22.4
421.30832	18.2
439.13657	4.8
439.32059	57.5
440.32697	4.6
457.16101	6.9
457.33484	88.1
458.33383	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	457.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59272	1.3
53.03944	3.9
55.01871	6.6
55.05249	2.6
55.05509	49.6
57.03419	2.7
57.07071	5.0
59.04993	2.6
65.03936	3.7
67.05501	75.9
68.05807	1.8
69.03427	4.9
69.07063	45.2
71.04995	6.6
72.37746	1.2
73.97334	1.3
79.05489	46.1
81.07052	100.0
82.07373	4.4
83.04978	7.9
83.08612	21.1
85.06526	7.6
87.04407	1.5
91.05476	22.4
93.07043	54.3
94.07374	1.6
95.04980	3.0
95.08601	92.3
96.08939	3.5
97.06518	14.1
97.10168	32.6
99.08086	5.4
105.07019	32.1
106.07331	1.4
107.08588	55.4
108.08914	1.8
109.06502	6.4
109.10152	55.4
110.10471	2.1
111.08089	7.6
111.11716	2.6
117.07020	7.5
119.08575	33.0
119.61187	1.3
120.08949	1.8
121.06487	4.3
121.10136	44.7
123.08056	6.4
123.11700	26.2
125.09622	33.7
127.07545	3.2
127.11181	2.3
129.07001	1.5
131.08559	18.9
133.10118	26.6
135.08058	6.0
135.11688	34.8
137.09618	7.2
137.13219	9.9
139.11171	3.0
143.08543	5.2
143.10672	6.3
144.09216	1.4
145.10123	22.5
145.67441	1.7
147.08046	3.0
147.11674	24.3
148.12006	1.6
149.09619	4.9
149.13266	17.2
151.11201	8.4
151.14818	1.7
153.12723	1.6
155.08473	2.2
156.09346	1.5
157.10106	7.5
159.11693	16.9
161.09622	3.1
161.13251	19.6
163.11252	3.3
163.14856	9.5
165.12770	5.6
167.10646	2.0
169.10187	3.2
171.11687	9.3
173.09691	1.8
173.11823	2.6
173.13234	12.6
175.11182	2.6
175.14845	13.0
177.09181	1.8
177.12779	3.1
177.16399	4.2
179.10587	1.7
179.14301	4.3
183.11665	4.0
185.13280	5.5
187.11182	2.4
187.14792	11.2
189.11238	2.1
189.12764	5.5
189.16405	13.9
191.14278	4.9
191.17888	4.5
193.15834	2.4
195.11731	1.5
197.13271	2.7
199.11070	1.8
199.14859	6.3
201.12724	1.7
201.14626	1.5
201.16388	5.3
203.14345	4.5
203.17978	4.8
205.15936	3.6
207.13611	1.4
207.17400	10.3
209.15230	1.7
211.14780	1.7
213.16431	3.7
215.14400	2.1
215.18018	5.5
217.12236	12.3
217.15952	2.2
217.19431	1.8
219.17465	2.0
221.13361	1.5
221.15387	1.7
223.16837	2.9
223.19098	1.6
231.13910	2.1
231.17430	1.8
233.15312	2.1
233.18983	1.7
235.13220	2.1
241.19429	1.8
243.21112	8.6
245.19011	2.4
251.20107	2.4
255.17377	2.0
259.20398	1.4
261.22125	27.5
277.21701	1.9
278.93881	1.4
279.23175	99.2
280.23523	7.7
293.21182	2.0
297.24185	30.0
303.99414	1.5
311.20084	1.3
367.29935	1.8
385.30945	9.6
403.32248	21.4
404.32303	3.2
421.33368	27.5
422.33386	2.6
439.32437	12.7
457.33023	47.4
458.33478	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	457.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.9
55.01862	7.0
55.05507	26.0
57.03436	2.9
57.07055	5.4
57.35853	1.5
59.04981	8.6
65.03938	3.7
67.05500	32.3
69.03426	12.0
69.06693	2.3
69.07064	35.5
69.61840	9.3
71.04985	6.7
79.05489	30.7
81.07053	64.7
83.04974	9.2
83.08627	21.1
85.06538	11.6
91.05470	26.4
93.07042	63.2
94.07357	2.3
95.04954	8.8
95.08605	71.7
96.08903	2.0
97.06532	10.3
97.10172	5.6
99.08072	7.1
105.07024	59.7
107.04954	2.0
107.08588	100.0
108.08916	2.7
109.06507	18.2
109.10154	75.1
110.10509	1.9
111.04471	2.7
111.08073	22.9
111.11736	3.5
117.07007	6.3
119.06155	2.0
119.07714	3.9
119.08573	73.8
121.06483	4.9
121.10137	59.8
122.10464	2.0
123.08052	13.9
123.11713	20.0
125.09624	18.9
127.07498	2.8
127.11166	3.2
128.06218	2.3
129.06973	4.1
131.08548	20.7
133.06534	3.3
133.10123	56.9
135.08040	5.9
135.11687	48.6
136.12004	2.5
137.09612	13.5
137.13214	6.0
139.07521	5.6
139.11177	7.4
142.07799	2.6
143.08606	8.9
145.10120	36.5
147.08047	6.0
147.11682	50.9
148.11989	2.6
149.09622	9.6
149.13232	20.2
151.11157	5.2
153.12738	5.9
155.08516	3.9
155.10635	2.1
156.09402	2.3
157.10121	15.4
158.10771	2.0
159.11679	33.5
161.09607	3.4
161.13252	23.2
163.11171	6.5
163.14783	13.0
164.15019	1.9
165.12752	43.1
167.10648	2.1
169.10080	5.6
171.11682	17.1
173.09641	3.6
173.13268	21.6
174.13968	1.8
175.11182	7.4
175.14821	18.6
177.12802	4.4
177.16380	4.9
179.14288	4.8
183.11638	7.3
185.13254	14.3
186.13768	2.2
187.11145	5.6
187.14809	27.6
189.12741	7.7
189.16373	17.3
191.14301	4.0
191.17992	11.8
193.12206	17.0
193.15874	8.2
197.13283	6.4
199.14757	10.0
201.12729	2.1
201.16382	40.5
202.16626	2.0
203.14301	5.2
203.17941	33.5
205.15858	4.1
207.17445	6.7
209.13272	4.8
211.14806	8.6
213.12648	2.1
213.16342	16.8
215.14249	3.2
215.17999	11.5
217.12303	2.0
217.15852	4.7
217.19574	2.3
219.13838	2.5
221.15413	3.6
221.18796	2.1
223.14789	5.3
223.16808	2.4
225.16359	5.2
227.17903	12.4
229.19464	6.0
231.17381	7.4
237.16327	3.2
239.17897	4.7
241.15919	2.5
241.19508	4.6
243.17374	2.3
249.18498	25.8
251.18051	3.6
253.19504	4.8
255.21080	5.0
257.22607	6.8
261.18405	2.3
267.20999	5.7
269.22662	28.6
271.20517	2.5
279.20966	3.1
281.22623	2.3
285.22076	2.7
287.23627	6.9
293.22662	3.3
305.24918	4.2
311.23514	3.7
329.24750	3.0
333.25662	2.4
339.26892	2.2
361.28635	2.2
365.28308	2.0
375.30264	2.0
403.29614	2.0
403.33655	22.5
404.33847	2.5
411.32767	4.4
421.34836	81.6
422.34998	7.2
439.31024	23.7
439.36273	10.3
440.32172	3.2
457.32562	10.2
457.36920	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	457.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.9
55.05505	9.8
57.03439	4.3
57.07066	3.0
57.13096	1.1
65.96317	0.8
67.05500	28.5
69.03423	1.4
69.07066	24.1
69.21696	8.8
71.04990	5.4
71.08639	1.4
79.05491	9.9
81.07047	26.3
83.04978	1.5
83.08618	6.7
83.86566	1.0
85.06579	2.8
88.90131	1.0
91.05476	7.7
93.07043	18.5
95.04934	2.2
95.08601	27.1
97.06522	1.3
97.10162	3.5
99.08101	2.9
103.08129	1.1
105.04530	1.4
105.07030	15.4
106.07368	1.2
107.08588	20.6
108.08909	1.3
109.06514	1.9
109.10152	100.0
110.10490	4.6
111.08104	2.3
113.16373	1.1
118.94650	1.0
119.08582	17.3
120.08982	1.7
120.96634	25.3
121.10138	15.3
122.10477	1.9
123.08104	1.2
123.11710	6.4
125.09639	3.7
127.11186	51.4
128.11566	1.6
131.08565	5.5
133.10117	12.7
135.08080	2.6
135.11690	10.0
137.09607	2.2
137.13260	1.4
139.11209	1.4
143.08621	2.2
143.10765	1.0
145.10132	8.5
147.11674	10.9
149.09569	2.3
149.13246	4.7
151.11252	1.7
157.10153	3.1
159.11700	9.9
160.12103	1.3
161.09651	1.3
161.13255	7.1
163.11168	5.4
163.14861	4.1
163.21126	1.0
165.12772	1.6
171.11729	3.0
173.13301	6.1
175.11209	2.2
175.14824	3.1
177.12781	2.4
177.16353	2.6
183.11684	1.4
185.13278	2.5
187.14857	4.6
189.16397	6.1
191.18001	1.4
193.15926	1.4
195.00319	2.6
199.14806	2.6
201.16447	6.1
203.14316	1.7
203.18004	6.0
203.45525	1.2
205.07603	1.1
205.15851	9.3
207.17503	1.3
213.16350	2.0
215.17943	4.4
217.15985	1.4
219.17458	3.3
225.16435	1.1
229.19632	1.2
231.17525	2.3
233.19028	3.6
237.16357	1.0
284.01331	1.2
313.25143	1.0
337.27350	33.8
338.27881	1.4
353.28421	2.3
359.25443	8.8
381.31036	1.3
383.29150	1.4
411.32199	1.6
421.34717	10.0
422.35065	1.1
439.36371	13.2
457.23172	13.9
457.32608	3.7
457.36853	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	457.3675
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
52.03184	2.3
55.05509	16.4
57.07074	7.6
59.05004	3.2
61.14581	2.3
61.70599	2.6
67.05507	29.7
69.03423	3.1
69.07068	31.0
69.33187	18.2
71.04987	4.7
79.05486	22.7
81.07056	65.0
82.07360	2.3
83.04968	4.4
83.08613	10.9
85.06526	6.1
91.05479	22.0
93.07043	52.7
95.04955	4.8
95.08607	100.0
97.06512	7.3
97.10148	6.9
99.08097	23.9
105.07026	38.7
107.08595	76.2
108.08911	3.2
109.06538	6.0
109.10156	57.7
111.08080	6.5
111.11700	2.9
117.06996	5.5
119.08582	54.4
121.06489	5.7
121.10141	62.2
122.10446	3.7
123.08057	7.8
123.11715	25.4
124.15541	2.4
125.09628	7.6
127.07545	5.6
128.06230	2.5
129.07051	2.5
129.12798	3.1
130.07719	2.7
131.08559	15.0
133.10118	34.9
135.08018	8.2
135.11685	49.0
137.09608	15.5
137.13260	6.5
139.07463	2.5
139.11191	7.5
143.08572	3.9
145.10114	23.3
147.08017	4.4
147.11665	32.4
149.09622	9.3
149.13255	25.4
151.11185	5.3
155.08682	2.9
157.10115	10.7
159.08022	3.4
159.11705	20.3
160.08644	2.7
161.09624	6.7
161.13258	23.0
163.11168	5.1
163.14813	31.1
165.12766	4.5
167.10667	4.9
167.61546	2.3
168.21687	2.5
171.11719	4.5
173.13266	10.5
175.11258	3.5
175.14841	21.1
176.15141	2.5
177.12695	3.2
177.16377	16.0
179.14297	5.1
183.11697	3.3
185.13321	5.9
187.14809	15.9
189.16370	23.8
191.17947	30.4
199.14795	4.7
201.12697	4.8
201.16377	8.5
203.14337	6.5
203.17932	27.7
204.89888	2.3
205.08542	2.6
205.12187	2.3
205.15771	6.7
205.19464	5.1
207.17448	11.3
211.14856	2.7
213.16357	5.1
215.14258	3.4
215.17944	7.8
217.15887	5.0
217.19507	6.6
219.17372	7.4
221.08076	18.3
221.19034	2.8
225.16458	3.1
229.19298	3.0
231.17322	3.5
231.21109	6.8
233.07968	2.7
233.15398	2.6
235.13214	6.5
235.17001	3.7
237.14789	16.6
242.20020	2.7
249.15167	2.2
249.16045	2.8
249.18416	17.0
261.14981	3.0
265.14371	5.9
277.21558	4.4
289.18027	4.2
291.23145	3.5
297.25723	5.0
334.59491	2.8
343.19040	4.2
393.31207	4.4
395.29498	10.8
411.36316	43.6
412.36676	5.8
421.30133	3.1
421.34964	5.3
439.30911	42.2
439.36365	17.9
440.32275	5.0
457.32336	30.9
457.36856	50.7
458.32700	2.8
458.37485	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	457.368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	13.3
57.07074	15.9
60.86835	5.0
64.91058	4.7
67.05500	34.9
69.03416	20.5
69.07078	34.8
69.89292	10.5
69.89705	17.7
70.06573	11.9
71.04967	8.6
71.08623	11.2
75.29105	4.9
79.05481	15.8
81.07053	41.9
83.04987	5.5
83.08589	11.8
85.06554	8.3
88.07623	20.1
91.05477	15.8
93.07043	33.6
95.04983	5.3
95.08605	65.0
96.08891	7.2
97.06537	7.7
97.10151	5.8
99.08097	6.1
102.09186	14.7
105.07024	27.9
107.08576	50.9
109.10142	53.8
111.08051	5.5
119.08569	43.2
121.06545	5.4
121.10144	49.3
123.08014	5.9
123.11707	21.2
125.09618	31.0
127.11169	10.8
131.08562	9.7
133.10152	29.0
135.11684	23.5
136.12048	6.7
137.09650	8.2
137.13174	8.0
139.11192	7.7
143.08592	6.8
145.10092	17.9
147.11679	21.8
149.09631	6.5
149.13237	21.3
151.11217	5.2
157.10091	10.4
158.10880	5.2
159.11662	24.4
161.13277	14.8
169.10178	5.9
171.11723	7.0
173.13246	18.1
175.14854	10.6
177.12865	6.3
177.16411	6.1
187.14803	19.4
189.16229	8.7
199.14868	9.1
200.20090	24.6
201.16423	11.8
201.20457	19.5
203.14378	5.9
205.15765	8.8
207.17502	6.2
211.16992	10.1
219.50574	5.0
229.19461	6.5
274.12988	5.6
283.26416	17.1
284.26746	40.0
421.34882	11.8
439.35675	18.9
457.31842	25.1
457.37167	16.1
457.44327	100.0
458.33514	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	457.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98157	2.6
53.03941	5.3
55.01867	9.2
55.05513	21.3
57.03435	4.5
57.07076	4.7
59.04988	9.7
67.05505	35.3
67.30664	2.1
69.03444	14.9
69.07066	38.3
69.16560	7.5
69.16977	14.9
70.50745	2.3
71.04990	3.6
78.10145	2.4
79.05495	32.8
81.07056	78.3
83.04977	8.7
83.08624	12.1
85.06539	7.9
91.05472	24.0
93.07047	56.4
95.04963	7.2
95.08004	3.8
95.08611	69.0
96.08938	2.8
96.81210	2.3
97.06527	16.3
97.10161	6.2
97.59390	2.2
99.08098	4.3
105.07032	62.6
107.04934	2.3
107.08594	100.0
108.61016	2.7
109.06522	20.5
109.10159	81.9
111.08078	24.5
111.11726	3.2
117.07008	4.6
119.07729	3.4
119.08581	68.7
121.06506	5.2
121.10140	59.0
122.10506	3.0
123.08099	12.3
123.11707	20.7
125.09622	31.2
127.11215	3.6
128.06276	2.7
131.08534	16.3
133.10144	43.3
134.10457	3.7
135.08057	6.7
135.11694	47.1
136.17496	2.8
137.09605	12.5
137.13257	13.7
139.07553	7.2
139.11168	9.7
142.07788	4.5
143.08543	8.4
145.10117	30.9
147.11671	53.6
149.09647	6.9
149.13277	16.7
151.11234	4.8
153.12788	7.9
155.08572	3.4
156.09274	2.7
157.10123	13.5
158.10866	4.2
159.07965	3.3
159.11705	34.3
160.12073	3.3
161.09683	4.3
161.13271	19.9
163.11157	7.8
163.14812	12.0
165.12743	61.0
169.10124	3.8
171.11638	12.2
173.13257	19.2
174.13615	3.2
175.11194	5.3
175.14786	18.7
177.12679	4.1
177.16367	7.9
179.59021	2.4
183.11684	6.0
185.13232	11.5
187.14839	22.5
188.15279	2.6
189.12773	4.3
189.16405	14.6
191.14259	5.4
191.17990	9.1
193.12207	17.9
193.15866	8.1
197.13261	4.3
199.14833	10.5
201.16418	41.2
203.14441	4.4
203.17972	36.0
209.13318	3.5
211.14819	6.2
212.71049	2.6
213.16347	17.7
215.17940	10.8
217.12364	2.6
217.90909	2.7
221.15384	5.6
223.14857	5.2
225.16307	5.0
227.17903	13.4
229.19394	6.6
231.17442	6.6
233.19043	3.2
237.16313	5.3
239.17807	3.3
241.19345	4.0
243.17502	2.8
245.19110	3.2
249.18500	24.1
251.18033	5.4
253.19508	6.4
255.21088	4.0
257.18985	2.8
257.22604	5.6
267.21039	5.1
269.22607	28.3
270.22946	2.7
281.22693	2.6
287.23700	9.2
293.22720	4.3
311.23715	5.7
321.25961	3.0
335.27576	3.3
403.33618	18.3
421.34668	87.9
422.34915	7.7
439.30768	4.0
439.35663	19.0
457.32022	5.2
457.36771	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	457.3689
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
53.03971	1.9
55.05510	8.1
56.89164	1.3
57.07064	3.0
60.52041	1.1
63.02848	1.1
67.05497	11.5
69.07061	11.5
69.17761	10.3
71.05000	1.5
79.05494	6.8
81.07053	28.9
83.04993	1.4
83.08620	3.5
85.06541	3.1
91.05471	12.6
93.07038	23.9
95.04995	1.9
95.08600	40.3
95.09219	2.2
97.06536	2.8
97.10188	5.6
98.23265	2.5
105.07028	26.1
107.08588	37.5
109.06541	3.5
109.10154	24.8
111.08096	3.5
113.09705	1.4
117.07021	3.6
119.08583	42.2
119.09431	2.7
121.06552	1.8
121.10140	29.1
121.10977	1.7
123.08130	3.0
123.11707	12.6
125.09589	1.3
131.08571	8.9
133.10126	34.8
134.10469	1.3
135.11688	35.3
136.12094	2.1
137.09608	3.2
137.13275	2.3
139.11221	3.6
142.07750	1.9
143.08568	7.3
145.10107	12.6
146.71472	1.3
147.08109	1.9
147.11688	19.8
149.09688	1.7
149.13252	15.9
151.11211	4.3
155.08586	1.6
156.09299	2.1
157.10143	12.4
158.10840	1.5
159.11717	9.6
161.09645	3.8
161.13263	14.3
163.14809	16.6
165.12776	2.5
167.26030	1.4
169.10197	2.2
171.11700	7.8
173.13243	11.4
175.11200	2.7
175.14813	12.5
177.12791	1.7
177.16370	10.8
179.10547	1.3
179.14333	5.7
183.11693	2.4
184.12459	1.2
185.13298	5.7
187.14819	12.9
189.16376	35.4
189.17993	2.3
190.16580	2.1
191.14301	1.8
191.17920	7.6
193.15930	3.7
196.77171	1.2
197.13235	2.0
199.14792	23.0
201.16354	10.6
203.14316	1.9
203.17953	22.7
204.15089	1.4
205.15860	10.2
207.17432	27.5
213.16341	6.8
215.17911	7.6
217.15912	29.4
217.19380	7.5
217.71837	1.5
219.17398	1.5
221.19070	3.0
227.18018	3.2
229.19440	2.7
231.17442	12.9
231.20914	6.1
235.13345	2.4
235.16959	5.2
237.14952	3.6
241.19576	4.4
243.21086	5.3
245.19080	3.5
253.19511	2.2
255.21046	1.4
257.22733	5.6
259.20688	3.8
267.21042	3.3
269.22641	2.3
271.20599	7.0
271.24261	1.4
285.22198	6.4
287.23746	1.8
331.26276	1.5
393.35291	6.2
395.60349	1.4
403.33768	2.1
411.36292	5.5
421.34698	12.9
422.35364	2.0
427.35681	3.6
439.36099	14.6
457.26166	3.8
457.36801	100.0
458.37122	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	457.3677
Annotation	Ekeberin A
Peak:m/z	Relative Intensity
50.24516	0.8
53.03953	1.1
55.05510	6.8
57.03427	1.2
57.07069	1.5
64.94645	0.9
67.05509	11.7
69.07069	6.8
69.19708	3.9
69.20107	2.3
71.04992	1.3
79.05493	7.1
81.07054	21.1
83.04985	4.4
83.08623	4.0
85.06560	1.3
91.05482	6.4
93.07043	16.5
95.04973	2.5
95.08607	29.2
96.08894	1.0
97.06532	3.5
97.10170	4.8
98.63850	0.9
99.08079	1.4
105.07038	17.4
107.08595	27.0
109.06516	3.5
109.10149	16.2
111.08090	2.2
111.30962	0.9
117.07030	1.6
119.08578	21.6
120.08935	1.1
121.06514	2.1
121.10135	16.5
123.08109	1.7
123.11723	6.5
125.09641	4.3
126.88208	0.9
131.08568	5.7
133.10124	14.8
134.53888	0.9
135.08086	3.4
135.11684	13.1
137.09671	1.6
137.13255	2.3
139.07527	1.7
143.08553	3.6
145.10152	6.6
147.08058	1.1
147.11685	9.5
149.09618	3.8
149.13300	5.7
151.11163	1.2
153.09033	1.0
153.12770	0.9
155.08583	1.3
157.10112	4.5
159.11749	5.2
161.09636	4.0
161.13272	6.3
163.11261	1.3
163.14799	7.4
165.12781	1.4
169.10146	1.6
171.11646	4.0
173.09692	1.0
173.13187	5.0
175.11163	1.9
175.14818	12.5
176.15163	1.1
177.12834	1.0
177.16356	6.4
179.14330	1.2
183.11725	1.9
185.13268	2.3
187.14764	4.9
189.16382	14.9
191.17995	3.6
197.13269	1.6
199.14853	3.8
200.77065	0.8
201.16438	3.5
203.14330	7.0
203.17999	4.3
205.15892	2.4
207.17523	1.5
211.14830	0.9
213.16464	2.5
215.14365	1.7
215.17957	2.2
217.15903	3.3
221.15407	1.2
221.18988	2.3
225.16357	1.7
227.17938	2.5
229.19467	2.0
231.17369	1.5
235.16890	5.9
239.18024	1.2
241.19423	1.6
245.19073	1.0
249.18555	1.6
279.23407	4.7
289.17938	3.6
303.23193	1.5
375.30450	1.3
393.31558	5.3
403.32047	1.4
411.32437	1.5
421.30475	4.6
439.31720	33.4
440.32291	3.3
457.31775	7.8
457.37497	100.0
458.37939	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	457.3674
Annotation	Ekeberin A
Peak:m/z	Relative Intensity
51.20260	0.3
53.03943	0.8
55.01875	0.8
55.05511	4.2
57.03444	0.6
57.07073	1.6
59.04984	0.4
65.03925	0.5
67.05501	7.1
69.03422	1.1
69.07066	5.9
71.05006	0.8
79.05492	4.8
81.07054	15.5
83.04982	6.2
83.08618	2.6
85.06545	1.2
91.05470	5.7
93.07040	12.7
94.07368	0.4
95.04983	2.3
95.08601	21.6
96.08958	0.7
96.69178	0.4
97.06537	1.8
97.10168	2.4
98.23350	0.7
98.57887	0.4
99.08104	0.9
101.39668	0.3
105.07024	14.3
106.07288	0.4
107.08588	19.5
108.08912	0.5
109.06528	1.8
109.10155	11.9
111.08075	1.5
111.11768	0.5
117.07045	1.3
119.08572	15.0
119.09434	0.8
120.08919	0.7
121.06510	1.6
121.10139	13.7
121.83771	0.3
122.10504	0.5
123.08090	2.1
123.11681	4.2
123.12383	0.4
125.09635	1.6
127.07568	0.4
127.11190	0.4
129.06998	1.5
130.07787	0.3
131.08543	3.9
133.06491	0.6
133.10121	12.6
134.10503	0.5
135.08086	2.4
135.11690	13.3
137.09647	1.6
137.12407	0.4
137.13231	2.0
139.07539	0.7
139.11214	0.9
143.08543	2.9
145.10110	5.6
145.56917	0.3
147.08064	1.1
147.11679	7.0
148.12064	0.4
149.09612	4.5
149.10677	0.4
149.13243	4.5
151.11223	0.8
153.12770	0.7
155.08585	0.9
157.10103	3.6
158.10834	0.6
159.08096	0.4
159.11688	4.3
161.09612	3.9
161.13268	5.3
163.11211	1.3
163.14824	3.8
165.09012	0.4
165.12715	0.5
169.10176	1.0
171.11679	2.5
173.09680	0.8
173.13264	4.0
175.07695	0.5
175.11211	3.0
175.14809	9.8
176.15144	0.4
177.12805	0.9
177.16376	7.2
179.14362	1.0
183.11752	1.4
185.13255	2.5
187.11145	0.5
187.14806	4.8
189.12761	1.3
189.16382	7.6
190.16678	0.4
191.14366	1.4
191.17976	3.2
193.15944	0.6
197.13269	0.8
197.50850	0.4
199.14795	2.1
201.12817	0.8
201.16402	3.5
203.14293	2.9
203.17946	7.0
205.15842	0.7
207.17409	1.7
209.13179	0.4
211.14864	1.1
213.16379	2.4
215.17976	1.5
217.15840	2.1
219.17416	0.7
221.08073	0.6
221.15509	0.5
221.18977	2.5
225.16325	0.6
227.17976	1.0
229.15939	0.8
229.19496	0.7
231.17429	3.3
235.16920	2.1
239.18149	0.5
241.19560	0.7
243.21143	0.8
245.19022	1.1
247.17047	0.8
249.18491	3.3
251.49524	0.4
253.19635	0.5
255.21167	0.8
257.22601	0.7
259.20566	0.9
261.22241	0.4
267.21170	1.5
271.20728	0.4
273.22229	1.6
275.20023	0.6
279.23367	0.7
281.22656	0.7
285.22168	1.9
303.23129	2.4
331.88736	0.4
421.34714	0.8
427.35748	1.6
439.36090	5.2
440.36395	0.6
457.36804	100.0
458.37189	10.4
464.66043	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3675
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
53.03942	1.6
55.05512	6.3
57.03414	1.6
57.07074	5.2
57.69219	1.4
59.04997	1.6
67.05502	11.1
69.03434	3.0
69.06208	13.6
69.07072	14.4
71.08598	1.5
74.92339	1.7
79.05486	6.3
80.25297	1.5
81.07056	26.6
83.04985	2.4
83.08607	6.2
83.09053	1.5
88.07639	1.7
91.05465	8.4
93.07043	17.2
95.04959	5.3
95.08610	41.8
97.06535	5.6
99.08053	1.9
105.07034	23.5
107.08601	24.4
109.06524	4.6
109.10152	26.6
111.08060	2.5
111.11756	2.0
117.07035	2.9
119.08575	40.0
121.06536	3.0
121.10141	75.2
123.08090	8.4
123.11722	15.6
125.09673	2.0
131.08591	5.7
133.10126	35.4
135.08060	5.9
135.11694	16.3
135.93221	1.4
137.09605	14.0
137.13249	4.6
139.11195	6.1
142.07980	1.4
143.08549	3.7
145.10094	13.8
147.07970	1.4
147.11682	14.6
148.64888	1.3
149.09613	4.7
149.13254	20.4
153.09132	1.7
157.10098	6.9
158.10835	2.1
159.11705	6.9
161.09598	4.1
161.13277	12.4
162.13600	1.4
163.14818	5.4
165.09189	1.5
167.10692	3.5
171.11719	2.2
173.13272	7.7
175.14830	50.4
177.12712	2.7
185.13310	2.5
187.14810	11.8
188.15129	1.6
189.12741	3.5
189.16374	11.6
191.14548	1.5
191.17960	3.8
193.15889	56.6
194.16281	2.7
197.13326	1.8
199.14825	7.2
201.16409	5.0
203.14326	5.2
203.17924	13.3
205.19615	1.9
207.17442	2.4
209.15329	2.4
213.16560	1.7
215.14334	10.2
215.17917	7.7
217.15862	15.1
217.19460	1.9
219.17488	1.7
221.18916	2.0
231.17458	5.0
233.19052	4.0
235.13199	9.3
237.14870	21.3
239.18045	2.3
241.19650	1.8
243.17432	2.6
243.21072	2.8
245.18996	2.5
249.14937	4.0
251.16443	2.8
257.18951	2.2
259.20609	2.9
261.22244	1.9
265.19656	2.4
273.22012	1.9
283.20648	3.4
283.26303	3.3
284.26645	4.8
299.23706	2.8
317.48459	1.7
377.31961	1.8
403.33829	7.2
421.28833	1.7
421.34634	85.1
422.34982	11.7
439.36002	100.0
440.36264	12.4
457.36264	58.2
457.44254	10.9
458.36761	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	457.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62198	2.1
52.68301	2.0
53.03941	5.2
55.01879	3.9
55.05507	23.5
57.03443	3.9
57.07063	11.2
58.49232	2.3
59.04998	5.4
65.03944	3.4
67.05495	38.6
68.05828	3.0
69.03431	5.7
69.06699	3.4
69.07063	51.4
69.21143	19.8
71.04990	11.4
71.08623	4.6
73.02397	2.0
73.06558	4.1
79.05485	31.7
81.06563	3.3
81.07047	70.6
82.07374	2.8
83.04964	7.6
83.08621	19.8
85.06536	7.0
85.10168	2.5
91.05468	29.0
93.07040	63.9
94.07336	4.6
94.55042	2.2
95.04971	10.0
95.08600	97.8
96.08920	2.7
97.06522	19.3
97.10152	9.0
99.04459	3.0
99.08095	11.1
101.06020	2.7
103.05421	2.8
105.07018	56.7
106.07349	6.2
107.08587	100.0
108.08875	3.3
109.06520	10.8
109.10144	59.3
110.10493	4.3
111.08080	14.1
111.11709	3.8
113.09634	10.8
115.07558	5.9
117.07000	10.1
119.08572	77.9
120.08947	5.8
121.06506	8.5
121.10133	76.2
121.10970	4.4
122.10504	5.5
123.08058	12.4
123.11692	31.1
123.38390	2.5
125.09620	23.5
126.09956	2.3
127.07584	2.5
127.11182	9.0
129.07048	3.8
129.09184	3.1
131.08533	26.5
133.06520	2.7
133.10127	49.0
133.11127	2.7
134.10490	3.3
135.08025	13.1
135.08919	2.2
135.11684	53.8
136.08401	2.6
136.11957	5.2
137.09589	10.2
137.13242	6.8
139.07532	6.0
139.11185	11.1
141.06929	2.4
143.08527	9.3
145.06450	2.2
145.10126	44.6
147.08057	6.9
147.11673	45.5
147.12830	2.7
149.09633	16.7
149.13272	28.2
151.11177	9.2
151.14813	2.6
153.09052	2.5
153.12732	4.7
155.08554	4.8
155.10654	2.6
156.09311	4.5
157.10114	18.3
159.08083	4.5
159.11671	42.5
161.09653	7.3
161.13245	33.3
162.03033	3.3
163.11191	11.7
163.12398	2.5
163.14830	18.2
165.12741	9.3
167.10689	3.8
169.10112	7.4
171.11659	17.0
173.09644	5.2
173.13228	27.8
175.11192	10.2
175.14816	26.2
177.09164	2.6
177.12755	9.6
177.16362	10.5
179.10741	2.8
179.14258	5.6
183.11687	7.0
184.04401	2.8
185.13268	14.7
187.11163	3.9
187.14821	23.9
189.12703	7.7
189.16373	31.6
190.16734	3.7
191.14278	6.9
191.17928	15.2
193.15898	5.0
195.11772	4.1
197.13235	7.3
199.14783	14.3
201.12712	4.4
201.16397	19.2
202.16730	2.8
203.14336	6.4
203.18016	14.7
204.18077	2.6
205.15840	10.8
207.17444	12.5
209.13326	3.4
211.14835	5.0
213.16347	13.9
215.14304	4.9
215.17934	15.4
217.12218	4.8
217.15900	5.5
217.19505	4.6
219.13841	3.8
219.17409	9.7
221.15343	3.9
223.14645	2.4
225.16406	3.1
227.17976	7.3
229.15913	4.0
229.19586	3.4
231.17488	5.6
233.15401	7.1
233.19009	5.5
235.16891	3.6
237.14699	2.5
241.19473	4.3
243.17488	3.9
243.21173	3.8
245.18896	3.2
247.16768	2.6
249.18535	4.7
253.19528	2.8
267.21313	2.6
269.18747	3.4
271.20288	2.8
281.22726	2.6
285.22281	2.6
287.22272	7.3
303.19839	3.3
337.25980	3.7
393.31476	6.9
411.32382	8.9
421.30066	14.9
421.35123	8.2
439.31070	27.9
439.36258	11.1
457.32840	44.8
458.33417	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	457.3673
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
51.33514	3.2
53.03945	4.8
55.05504	15.7
57.07058	13.4
59.56726	3.6
67.05497	32.3
69.03410	16.3
69.07058	39.8
69.87035	5.3
69.87377	14.2
71.04979	7.5
71.08666	4.2
74.05796	4.0
75.15942	4.6
79.05484	18.4
81.07056	70.1
83.04984	4.4
83.08607	16.8
85.06532	10.9
91.05453	21.4
93.07027	47.1
95.04973	5.3
95.08603	95.3
97.06525	11.9
97.10160	4.9
97.18092	3.4
99.08078	14.2
105.07027	43.6
107.08583	87.5
109.06509	7.1
109.10145	79.5
111.08081	8.6
117.07010	7.1
119.08567	93.2
121.10134	100.0
123.08009	7.9
123.11684	28.1
125.09637	34.6
127.11151	7.0
131.08542	12.5
133.10103	60.7
135.08083	6.1
135.11664	43.9
137.09587	8.0
137.13252	13.4
142.27473	4.3
145.10120	55.5
147.11670	30.8
149.09688	19.1
149.13229	20.4
151.11171	11.8
157.10159	6.4
159.11688	88.7
160.11995	3.6
161.13242	32.7
163.11177	12.6
163.14816	27.0
165.12723	6.6
171.11702	8.9
173.13306	28.5
175.14809	36.3
177.12784	12.0
177.16364	59.1
185.13281	4.0
187.14806	48.7
189.16373	45.0
191.14325	11.7
191.17944	13.8
193.16045	4.6
197.13362	5.3
199.14792	10.1
200.20087	10.9
201.16394	40.7
201.20467	7.0
203.14369	4.9
203.17932	11.1
205.15833	24.0
206.16728	7.5
207.17416	8.3
211.16820	5.6
213.16405	25.5
215.17944	31.4
217.19527	4.3
219.17502	11.5
221.27782	3.8
225.16223	4.9
227.17964	9.3
229.19443	5.9
231.21194	5.2
233.18987	60.7
234.80600	4.2
243.17418	6.0
243.21039	4.5
283.26483	8.8
284.26569	8.7
291.20816	4.1
371.29321	6.3
403.33569	5.2
421.34656	17.8
439.31036	4.7
439.35794	62.5
440.35748	6.8
457.36536	98.9
457.44110	20.4
458.36905	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	458.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
62.22679	16.2
67.05493	15.7
69.12630	14.5
71.32772	19.5
77.38279	14.1
79.05483	29.4
79.17030	13.8
82.07378	17.9
91.05465	19.1
93.02768	14.6
96.92017	16.4
100.69929	15.6
115.05445	16.2
137.05959	100.0
139.03906	18.0
151.03775	29.4
151.07552	54.8
153.01839	32.5
161.06020	42.3
175.07613	23.0
181.04951	20.7
182.18321	15.3
232.07146	19.8
268.54514	18.2
281.12131	15.9
287.12790	18.1
311.12808	31.7
313.14334	25.8
323.62277	14.7
331.15265	83.2
343.15210	31.2
459.16364	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	459.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.4
51.40358	0.3
51.44619	0.2
53.00292	1.0
55.01864	0.4
59.74120	0.3
65.03947	1.7
65.32922	0.3
67.05515	0.5
68.99782	0.9
69.74668	1.5
79.01851	2.3
79.14297	0.3
80.58153	0.3
85.24396	0.3
95.04941	0.4
97.02856	0.8
107.01306	0.5
107.04964	0.7
111.00816	0.4
111.04425	1.5
121.02847	1.3
123.04421	3.9
125.02345	1.3
127.03891	0.7
131.04857	0.5
133.02814	0.5
135.04410	1.8
139.03889	100.0
140.04196	2.5
143.03368	2.4
149.05983	0.7
151.03897	9.9
153.01819	27.2
153.02930	2.1
154.02092	0.8
159.04456	0.7
163.03896	5.7
164.34995	0.3
169.04999	0.3
177.05380	0.8
179.07027	0.4
180.55183	0.3
181.04948	3.5
182.05113	0.3
187.03902	0.7
195.06516	0.7
199.36705	0.3
205.04927	3.1
229.05074	0.5
247.05949	0.5
271.06009	0.6
289.06998	4.2
301.78952	0.3
307.08221	1.6
459.14575	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.0918
Annotation	Epigallocatechin Gallate
Peak:m/z	Relative Intensity
53.00306	1.0
55.01862	0.7
58.57629	0.3
65.03932	1.1
67.05501	0.4
68.49348	0.3
68.77441	0.2
68.99779	0.8
79.01852	2.4
83.04984	0.3
93.03370	0.5
95.04970	0.7
97.02876	0.9
98.22604	0.8
107.01299	0.5
107.04964	0.7
111.00826	0.4
111.04459	1.2
112.69883	0.2
121.02160	0.2
121.02848	1.5
123.04425	4.7
125.02361	0.9
127.03877	0.6
135.04419	1.1
139.03893	100.0
140.04243	2.7
143.03400	2.6
149.05977	0.7
151.03894	10.4
153.01826	27.5
153.02939	2.4
154.02135	0.7
154.31497	0.3
159.04419	0.6
161.06006	0.3
163.03909	7.1
165.12207	0.2
169.04976	0.3
177.05443	0.9
179.06953	0.4
181.04948	3.3
187.03877	0.7
195.06543	0.8
205.04941	3.1
220.81099	0.3
227.61839	0.3
229.04926	0.5
247.05995	0.5
271.06061	0.7
289.07098	4.3
307.07993	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54864	1.0
56.96563	5.4
60.05648	1.4
60.51565	0.9
61.42367	1.0
68.98268	0.9
70.06577	3.0
71.30344	1.2
81.03395	1.9
85.02914	1.8
97.02885	4.8
98.97582	10.0
100.00093	4.2
101.00864	7.2
109.02906	2.3
110.97578	3.2
113.00880	2.9
116.98618	2.3
118.01139	7.5
118.68042	0.8
119.01920	12.7
119.04961	1.8
127.02404	1.9
127.03898	1.8
128.98605	3.7
131.01901	10.1
133.03444	2.3
133.06506	1.2
134.99713	1.4
137.02977	1.8
137.05975	31.3
137.07013	1.7
142.01050	5.7
143.01933	10.0
144.98071	1.8
145.03467	8.8
145.07646	1.1
147.04427	5.6
155.01891	9.1
156.02707	7.9
157.03450	2.7
158.99646	1.7
160.02184	6.5
161.02980	16.2
162.99294	1.1
163.02370	1.2
163.04607	1.1
166.07256	2.7
167.01880	1.5
168.02631	5.8
170.00600	1.5
170.99664	1.2
172.02235	2.4
173.02956	10.8
174.03706	3.1
174.97714	1.1
175.04451	2.0
175.11885	2.9
177.00867	1.9
177.03992	3.2
178.01128	4.0
179.01897	1.7
181.03415	8.1
183.01465	1.2
184.02168	4.5
185.02959	8.9
186.03598	4.9
192.02649	1.2
193.03583	1.4
194.04190	2.9
195.05032	21.2
196.02162	11.1
196.05127	1.6
197.03001	6.2
199.04538	2.5
201.00859	1.8
202.01285	1.0
202.03235	2.2
203.03984	10.1
204.02667	1.6
205.00372	1.3
205.03436	3.3
207.05000	1.6
207.97873	1.0
208.02113	1.3
210.03754	2.0
211.04498	1.5
213.06078	2.1
214.03317	1.4
214.90349	1.2
216.98676	3.1
217.03592	2.1
218.04213	3.8
219.01869	8.0
219.05020	27.0
220.05249	2.3
221.02914	3.4
221.04961	14.9
222.03688	5.0
223.01241	1.7
223.04526	8.1
226.03270	2.3
227.04140	1.1
229.00545	1.3
231.02266	1.1
231.04993	6.9
233.06607	1.7
234.03934	1.3
235.04405	2.7
236.05229	5.7
237.02794	7.0
237.06082	28.7
238.06355	1.7
239.04230	2.1
240.04843	3.2
241.03450	1.1
243.02010	1.7
244.04276	100.0
245.04712	8.1
246.03708	6.5
247.01910	1.5
247.04500	10.0
248.05067	3.6
249.06094	7.1
249.84186	1.1
251.03935	2.0
251.07748	2.1
252.04581	1.5
253.05635	2.1
255.07285	1.5
258.03635	1.1
259.04575	7.4
260.05161	2.3
261.03384	1.1
261.06094	15.4
262.05304	13.1
263.03772	1.5
263.07919	1.6
264.04791	19.0
265.05356	5.0
266.06290	1.5
267.07089	1.6
272.05286	1.7
273.06030	1.8
273.08664	1.3
276.04663	2.0
277.05460	1.8
278.06461	1.6
279.07150	23.6
279.13486	1.9
280.07297	2.1
285.06735	1.7
288.04813	1.3
289.05417	2.0
290.06219	1.3
291.07208	5.6
293.08615	2.1
297.04688	2.2
297.08182	5.7
298.08151	1.3
300.04749	3.0
301.00870	1.3
303.07193	1.7
307.06644	15.3
308.06915	2.3
309.08340	6.9
311.06134	8.4
315.07211	1.6
320.07495	4.8
321.08154	17.4
322.08368	2.1
323.09741	2.1
329.07269	1.4
333.08014	3.7
336.06738	4.9
339.09406	5.2
348.06879	64.2
349.07324	12.3
351.09344	3.7
357.01355	1.1
363.09222	34.1
364.09354	4.0
366.08035	9.0
369.10400	1.9
371.06345	2.8
381.10303	88.0
382.10437	9.5
383.06058	1.4
393.02420	1.3
399.11365	58.6
400.11417	6.4
404.11960	1.4
417.05124	1.1
417.12088	7.9
441.12534	2.1
459.07327	1.8
459.13248	11.1
459.19968	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	459.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12573	0.8
51.49554	0.8
53.03936	1.1
55.05501	2.5
67.05505	2.5
69.03432	1.1
73.19644	0.8
78.04701	2.0
79.05487	5.6
81.03409	1.2
81.07060	2.6
83.08624	1.3
91.05498	3.1
93.07026	1.7
95.04997	1.2
95.08616	2.9
102.94189	1.0
103.05465	2.2
105.07036	3.3
106.04164	1.1
107.04955	7.7
107.08576	1.9
109.10117	1.9
111.08096	1.7
115.05453	2.3
117.06996	3.6
119.08577	3.5
120.02150	0.9
121.06464	1.2
121.10135	1.7
123.04430	6.8
123.08086	1.7
124.05241	1.4
125.09626	1.1
128.06206	4.9
129.07013	8.3
131.04935	3.1
131.08540	2.3
133.06477	1.7
133.10132	2.1
137.05946	4.3
143.08545	1.4
145.06483	3.5
145.10146	1.5
146.07277	6.6
151.03926	2.9
151.07564	1.1
152.04636	2.4
155.06105	1.1
156.05704	3.8
156.64137	1.1
157.06506	6.9
158.07278	2.8
159.04433	1.5
159.08038	1.1
159.11725	1.3
161.06055	1.4
161.09621	2.5
163.11052	0.9
165.09094	1.9
167.07034	66.1
168.50577	1.0
171.04367	1.3
171.08060	1.2
173.05956	2.9
174.06760	16.3
175.07458	1.8
181.05000	1.2
184.05196	4.6
185.05986	7.7
187.03854	1.1
187.07510	1.4
189.05438	4.3
189.09109	11.9
191.07077	1.8
191.10548	1.1
193.11734	1.0
201.05394	2.4
202.06219	8.7
212.04613	5.5
217.05029	1.3
217.08560	4.6
219.06418	9.0
219.08333	1.3
230.05745	7.0
233.08092	3.4
235.62630	1.0
245.08080	100.0
246.08554	4.8
247.07626	1.9
249.05592	1.6
263.06882	1.4
264.07785	2.8
265.08575	2.0
277.08389	1.2
279.10187	2.6
289.08722	1.3
291.06262	1.1
292.07382	1.2
297.07510	1.9
306.08557	1.0
307.09583	3.6
309.07324	1.2
315.08585	1.4
324.09903	1.9
330.11017	1.1
335.09250	1.1
339.12259	4.9
341.10397	1.0
347.80292	1.0
353.10175	2.4
355.12036	1.6
367.11688	2.8
368.12527	1.5
369.13388	1.1
399.14368	17.8
400.14539	1.6
459.15915	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	459.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.4
64.02411	1.0
67.05502	2.9
67.35444	1.0
69.07059	1.7
70.95052	2.2
70.95366	1.2
78.04720	1.7
79.05476	3.2
81.07057	3.2
82.41006	1.1
83.08598	1.2
91.05473	3.3
93.07014	2.8
95.08632	2.5
102.93959	1.2
104.06232	1.9
105.07027	4.0
107.04962	4.4
107.08595	2.7
109.06557	1.3
109.10149	1.7
115.05441	2.0
117.07001	2.3
119.08563	3.0
121.10147	1.6
123.04453	2.0
123.08063	1.6
125.05967	1.2
128.06221	5.2
129.07004	4.7
131.04918	1.9
131.08594	2.2
132.05751	1.1
133.10080	3.1
135.08118	1.3
137.05969	4.7
141.07011	2.3
143.08504	1.2
144.05714	1.5
145.10123	1.4
149.02307	3.2
151.03838	1.2
151.07640	1.9
152.97556	1.4
156.05750	3.9
157.06487	6.2
159.04436	1.7
159.08127	1.4
161.06061	1.3
167.07011	11.9
168.07277	1.0
170.07253	1.2
173.06105	1.2
174.06712	1.7
175.07523	1.6
177.05484	2.2
179.06915	1.4
181.04990	2.8
184.05190	3.8
185.05998	4.0
186.06708	2.0
187.07497	2.0
189.09013	1.4
191.03378	3.1
193.04948	2.7
195.06514	1.7
201.05363	1.2
201.09024	1.3
202.06166	1.8
203.06993	1.2
205.06537	1.3
212.04710	5.2
213.05496	1.7
215.06981	3.4
217.08624	2.9
218.07196	2.3
219.08041	3.0
221.06009	1.6
222.63240	1.1
229.08612	4.9
230.05701	6.2
233.08015	2.8
245.08090	100.0
246.08472	3.8
247.07501	3.4
251.07404	1.3
260.08298	2.1
261.09143	1.5
262.06100	1.5
263.07053	4.0
264.07877	4.8
265.08521	1.8
275.07037	1.9
276.07767	1.7
277.08673	2.6
278.09244	1.5
279.10031	2.6
281.08020	1.8
289.08453	2.1
291.06509	4.1
292.07199	3.1
293.08023	1.9
305.08029	1.9
306.08804	4.2
307.09576	6.1
308.06708	2.2
309.07556	2.5
320.10303	1.5
321.11243	2.9
323.09149	4.5
324.09979	1.6
335.09006	4.5
339.12122	7.0
349.10669	2.4
351.08517	4.0
352.09488	1.6
359.07468	1.4
366.10849	4.1
367.11520	5.9
368.12457	2.5
381.13324	30.4
382.13641	4.0
384.12180	1.4
399.14313	11.0
443.13327	1.2
459.15897	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	459.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27905	1.2
53.03937	1.5
55.05521	8.2
57.07069	14.5
59.04996	4.7
67.05501	15.8
69.03426	5.0
69.07076	11.7
69.15109	3.2
69.15530	9.1
70.22842	1.5
71.04977	3.8
71.08629	1.6
73.06546	5.7
78.26606	1.4
79.05515	6.6
81.07057	15.1
83.01360	2.7
83.04978	3.3
83.08620	2.8
85.06538	9.3
87.04465	2.6
91.05473	7.3
93.07053	12.0
95.04961	2.0
95.08602	23.8
97.06535	4.4
97.10156	2.8
99.08109	2.0
104.07099	2.2
105.07008	11.2
107.08590	14.3
109.06541	3.7
109.10152	11.2
111.08076	2.8
113.09654	6.7
116.79667	1.3
117.07025	2.1
119.04977	1.4
119.08585	13.2
121.06528	3.1
121.10144	13.5
123.11691	5.3
127.11201	2.4
129.06953	1.8
131.08557	5.0
133.10129	10.7
135.04465	2.0
135.08032	3.3
135.11684	10.4
137.05974	1.8
137.09586	15.1
137.13248	2.3
139.11145	2.6
143.08459	2.1
145.10127	6.9
147.08084	2.3
147.11685	6.1
149.06078	1.5
149.09612	3.2
149.13242	2.9
151.07567	2.8
151.11169	2.0
153.05501	2.7
157.10098	3.2
159.11711	7.3
161.06033	1.7
161.09566	2.7
161.13252	5.4
163.14804	4.5
165.09143	2.1
167.03348	3.2
169.04984	2.4
169.10147	2.3
173.09628	2.3
173.13283	4.7
175.07576	2.3
175.11156	2.3
175.14838	3.3
177.09105	3.2
177.12784	3.6
177.16321	1.9
179.03340	1.6
179.10519	1.6
183.02855	2.7
183.11775	1.6
187.07536	1.7
187.11290	1.4
187.14775	2.6
189.09111	4.3
189.16382	6.6
191.07062	4.3
191.17981	2.9
199.11212	1.9
201.09096	2.4
201.16426	2.8
203.07069	2.0
203.10710	2.7
203.14311	1.5
203.17938	1.6
205.08643	5.5
207.17406	6.5
211.14848	1.3
213.09166	2.2
215.07045	1.5
215.10706	7.4
215.17947	2.2
217.08595	3.7
219.10162	4.5
219.17377	9.6
221.08003	1.8
221.15390	1.7
223.09521	1.6
226.09943	2.0
227.07217	1.7
227.10811	2.3
227.14359	2.0
228.07797	1.9
228.11583	1.8
229.08627	4.6
229.12254	3.1
229.19501	1.4
229.36859	1.2
231.10170	3.2
231.13858	2.6
233.08116	1.8
233.11652	1.4
233.15434	1.9
235.13255	5.5
237.11168	2.7
237.14847	6.7
237.17406	1.3
240.11569	1.5
241.08627	4.7
241.12373	2.3
242.09349	5.4
242.13109	1.3
243.10207	5.7
243.13828	4.2
245.08078	3.7
245.11838	2.7
249.14929	4.9
252.11427	1.6
253.12184	1.7
255.10138	10.9
255.13979	1.7
256.10873	7.2
257.11655	7.1
257.15356	4.3
263.09146	1.8
265.14429	1.8
267.13812	3.9
268.10971	1.4
269.11694	7.4
270.12534	16.8
271.13300	22.0
273.11121	1.4
273.14835	2.8
275.12717	2.5
277.14352	1.9
279.23218	1.6
281.11508	1.5
283.13217	4.2
284.14172	4.3
285.11591	2.9
285.14828	60.7
286.15277	3.7
287.12860	3.6
289.14313	28.8
290.14755	1.7
291.13010	1.5
291.15921	8.3
299.12912	3.6
299.16412	19.8
300.16672	2.2
302.15015	3.5
303.15878	100.0
304.16248	6.4
305.13843	3.4
308.14017	2.1
311.12802	3.7
315.12250	2.0
317.13815	3.8
317.17422	40.0
319.15454	6.0
323.16385	4.9
325.17963	4.1
327.15872	2.9
329.13812	4.7
329.17355	2.3
331.15616	1.6
341.17487	14.1
342.17990	1.5
343.18982	9.6
345.16901	1.7
345.20621	2.1
347.18619	3.6
355.15207	2.9
369.16925	14.6
371.18533	8.0
373.16537	3.7
375.17758	2.6
387.17947	43.2
388.18362	4.5
389.15747	2.4
391.17532	3.8
399.17932	4.8
401.19556	60.0
402.19934	5.5
403.17438	5.8
404.18008	1.7
413.23111	1.8
415.21082	25.0
416.21091	2.2
423.36426	1.8
431.24258	21.5
441.22656	16.3
441.37836	8.9
459.23749	85.6
459.34174	4.2
460.24176	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	459.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.2
55.01855	1.5
55.05509	26.9
55.77716	0.8
57.03436	13.6
57.07077	14.3
59.45080	0.7
59.72331	0.7
61.95807	0.9
65.03904	1.4
67.05502	23.6
69.03386	1.5
69.07064	47.5
70.07379	0.8
70.48905	1.9
71.04949	2.7
71.08632	6.8
73.06512	1.0
79.05493	12.5
81.07054	29.9
82.07346	0.9
83.04950	1.7
83.08617	25.3
83.76009	0.7
85.06492	1.8
85.10136	3.2
91.05482	4.7
93.07042	19.0
94.07279	1.0
95.04942	1.1
95.08601	32.4
96.08904	1.3
97.06509	4.6
97.09595	1.2
97.10165	13.9
99.08054	1.9
105.07027	6.0
107.08582	15.6
109.06483	0.8
109.09425	0.9
109.10151	16.2
111.04415	0.7
111.08044	2.5
111.11685	4.8
113.09607	0.8
117.07015	1.1
117.40359	0.9
119.08585	6.7
120.08988	0.9
120.96632	63.4
121.10140	19.5
123.08075	0.9
123.11697	4.2
125.09631	4.4
125.13204	2.1
127.11134	2.4
131.08524	2.8
133.10165	4.3
135.08069	0.7
135.11678	12.2
137.09547	1.6
137.13202	1.6
138.97644	0.8
139.11139	1.7
143.08559	0.8
145.10129	4.0
146.03185	0.7
147.11655	3.1
148.12027	0.8
149.13225	6.9
151.07536	0.8
151.14772	0.8
153.12698	1.5
155.10663	0.8
157.10123	0.9
159.11653	3.2
161.09557	1.0
161.13232	1.6
163.11119	0.8
163.14758	2.4
165.09076	1.4
171.11664	0.9
173.13168	1.2
175.14818	2.2
177.12764	0.8
177.16348	1.5
183.11736	0.8
187.14830	1.7
189.16331	2.5
191.17909	1.1
195.00270	6.1
201.16298	0.9
203.17949	1.6
211.14639	0.9
215.17918	1.7
216.14679	0.9
217.19550	0.8
227.17941	1.2
229.19600	1.0
233.15263	0.9
236.58328	0.7
247.24287	1.3
265.25287	1.8
315.23181	2.9
339.28912	100.0
340.29330	7.5
343.30127	0.7
361.27161	13.1
362.27731	2.0
389.26840	1.2
413.34555	1.0
423.32346	3.2
441.23645	2.0
441.32486	1.5
450.74515	0.7
459.24786	37.9
459.34143	1.7
460.25183	3.7
481.74213	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73492	8.4
52.67174	7.7
55.05514	20.4
57.07077	20.7
65.20544	9.5
67.05504	37.5
69.07067	100.0
71.04999	16.3
71.08614	14.8
79.05498	20.2
81.07053	71.2
83.08624	32.6
91.05482	27.3
91.64771	7.7
91.94622	8.9
93.06516	8.0
93.07035	55.6
95.08604	82.6
97.06531	13.8
97.10179	14.3
105.07033	32.3
107.08582	66.0
109.06481	9.1
109.10149	46.4
111.08069	12.6
111.11755	12.4
117.07016	9.4
119.08566	58.9
121.10126	51.0
123.11693	16.1
131.08588	14.3
133.10144	27.3
135.11714	35.7
137.13292	17.6
137.31386	7.7
143.08578	17.6
145.10139	39.0
147.11688	36.4
149.09581	12.8
149.13243	49.4
157.10117	12.5
159.11641	17.9
161.13245	20.7
163.14882	16.7
165.09132	31.7
173.13306	16.4
175.14799	25.2
177.16449	24.3
185.13281	15.9
189.16339	12.9
191.10670	19.1
191.17928	13.0
201.16397	11.7
203.18011	22.9
215.18024	9.0
233.18990	12.3
285.21875	8.3
292.99054	10.0
315.23212	66.3
316.23328	8.3
339.29044	9.8
387.96170	9.6
394.26831	9.1
441.37714	14.1
459.24429	16.3
459.34674	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	459.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89742	3.8
53.03951	3.7
55.01865	7.3
55.05512	66.0
57.03429	7.1
57.07075	12.3
65.03930	4.4
65.19333	3.4
67.05502	75.2
67.26936	4.1
69.03407	4.7
69.07066	55.3
69.26342	24.0
71.04994	12.2
79.05493	59.1
81.03441	4.6
81.07057	100.0
81.07510	7.2
83.04959	9.3
83.08610	37.6
84.83147	4.2
85.06561	8.3
91.05482	45.7
93.07047	46.4
95.04971	5.9
95.08602	86.9
96.08931	5.8
97.06538	20.6
97.10172	50.4
98.23315	7.4
99.08070	6.2
103.05492	10.2
105.07038	45.4
106.07331	4.0
107.04945	5.6
107.08588	55.2
109.06525	8.3
109.10155	63.8
111.08129	5.5
111.11731	12.3
113.09594	4.4
114.11478	4.1
115.05455	7.2
117.07001	31.1
119.08578	43.9
121.06549	7.4
121.10151	48.8
123.08035	7.7
123.11729	19.4
125.09608	31.6
127.11201	15.5
129.07002	15.5
131.08560	26.3
133.06522	4.2
133.10130	32.2
135.08118	8.7
135.11671	35.5
137.05939	4.8
137.09612	10.8
137.13235	10.5
139.11159	9.6
141.06970	7.8
143.08546	13.7
145.06436	4.8
145.10124	17.3
145.12222	4.6
147.08069	9.2
147.11711	25.2
149.09647	8.6
149.13255	12.4
151.07553	4.7
151.11165	10.3
151.14818	5.9
153.12759	8.9
155.08533	10.7
157.10114	7.3
159.08124	7.1
159.11690	12.7
161.09653	7.0
161.13286	16.1
163.07520	4.3
163.14844	7.7
165.12805	7.5
165.56206	3.7
169.10173	10.9
171.11740	8.7
173.13275	12.1
175.14815	12.6
177.12881	3.8
177.16420	3.9
179.08763	3.8
179.14223	5.6
183.11754	9.2
185.13240	8.6
187.14896	14.5
189.11197	29.5
189.16393	8.9
197.13258	11.8
201.12706	4.5
201.16496	6.3
203.14322	8.9
205.15752	4.9
209.15567	4.7
215.14299	38.5
216.14534	4.5
217.19606	20.9
227.12770	10.5
235.20512	24.3
249.18515	13.9
253.21642	18.2
261.22174	13.9
271.16769	5.5
279.23267	38.0
297.24390	8.6
319.18594	4.1
328.93503	4.3
349.21454	10.0
367.22665	13.5
383.29547	6.3
385.23572	12.1
411.32376	8.5
423.32639	12.1
441.26648	19.2
441.33408	27.4
459.10406	5.9
459.27667	32.2
459.34698	18.2
482.39630	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	459.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	8.1
55.05509	59.7
57.51579	6.5
59.05011	7.2
62.27555	5.6
65.03928	5.6
67.05511	74.5
69.03420	15.2
69.07068	56.7
69.36157	38.0
69.36564	13.7
71.04990	12.7
79.05489	48.6
81.07050	81.2
83.04990	9.1
83.08617	46.0
85.06541	13.1
91.05476	38.8
93.07040	70.4
95.04968	10.9
95.08591	92.2
97.06532	14.0
97.10168	74.2
98.23275	13.7
99.08061	6.6
105.07023	47.5
107.08578	100.0
109.06514	8.2
109.10146	63.8
111.08080	12.9
117.07018	17.6
119.08591	66.0
121.06421	6.6
121.10143	76.7
122.10452	7.1
123.08067	17.9
123.11687	28.8
125.09632	57.1
127.07519	7.8
127.11172	13.1
131.08536	21.0
133.10124	62.2
135.08047	26.5
135.11678	60.9
137.09619	12.4
137.13245	8.7
139.11256	6.4
141.07004	6.6
143.08533	10.3
145.10178	41.0
146.10527	6.1
147.11737	36.2
149.09607	11.9
149.13216	32.3
151.11157	9.4
153.12790	6.4
157.10129	17.3
159.11716	30.5
161.09665	14.7
161.13251	29.5
163.11162	12.3
163.14847	19.4
165.09090	10.9
165.12714	11.9
167.10577	10.2
169.10104	7.0
171.11647	12.5
173.09669	7.0
173.13303	26.5
175.11145	12.6
175.14819	25.9
177.12711	7.7
183.11754	8.9
185.13286	17.0
187.14728	10.2
189.11232	64.3
189.12715	10.2
189.16289	33.0
191.14302	14.1
201.12741	9.2
201.16350	14.8
203.14355	12.2
203.17862	14.4
205.15880	11.0
207.17455	10.9
213.16252	7.0
215.17934	10.7
217.19553	14.1
229.19562	9.0
235.17020	9.3
239.17964	7.7
285.25668	6.5
361.27466	8.2
387.28857	25.6
405.29953	52.2
406.30469	7.1
423.31955	24.7
441.33926	58.0
459.28757	22.6
459.34814	43.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.0
53.61079	5.2
55.01866	7.5
55.05507	42.3
57.03432	10.2
57.07066	11.2
60.51850	5.7
61.14896	4.7
65.03936	5.8
67.05503	64.9
68.40836	4.6
69.03423	11.6
69.07066	51.0
69.22004	19.5
69.22435	22.7
71.04989	8.7
79.05486	55.3
81.07060	87.9
83.04974	16.0
83.08614	27.4
85.06548	12.7
85.44495	4.7
91.05486	53.1
93.07043	81.1
95.04971	30.9
95.08601	100.0
96.08913	6.6
97.06525	28.4
97.10155	25.6
98.00489	5.6
99.04450	5.3
99.08068	9.9
105.07022	65.9
105.31594	4.9
107.04971	10.8
107.08599	97.5
108.08930	9.2
109.06516	19.5
109.10165	57.9
110.10479	7.7
111.08074	16.5
113.05995	20.1
117.07000	17.8
119.08575	79.2
119.21925	4.5
120.08904	8.7
121.06500	18.0
121.10130	84.3
122.10484	8.1
123.08102	9.9
123.11702	19.9
125.09626	22.3
129.07005	11.1
131.08562	40.7
133.06468	11.1
133.10146	62.5
134.10524	5.0
135.08038	17.7
135.11687	58.4
137.09595	19.7
137.13261	11.2
139.07555	6.2
139.11174	10.7
143.08606	10.4
145.06497	9.5
145.10092	38.8
147.11664	44.6
149.09602	9.8
149.13274	25.3
149.14310	5.0
151.11212	13.1
153.09120	8.8
155.08537	11.4
157.10120	15.3
159.08083	8.5
159.11748	33.3
161.09558	8.6
161.13268	26.9
163.11232	7.8
163.14810	16.1
167.10681	6.0
171.11700	18.5
173.09561	8.0
173.13260	28.9
175.11205	6.7
175.14850	25.0
177.12715	12.9
177.16365	11.1
179.14314	6.6
183.11794	6.2
185.13316	9.9
187.11069	6.7
187.14813	19.9
189.11226	19.9
189.16370	35.9
191.14325	18.7
191.18053	25.0
193.12271	9.0
193.15903	6.4
197.13261	14.1
199.14876	9.5
201.12701	14.5
201.16399	14.4
203.14313	9.5
203.17966	9.7
205.12270	6.6
205.15854	12.4
207.13707	5.8
207.17407	19.8
209.08223	7.8
211.14914	5.1
213.16359	11.3
214.09727	5.2
215.14302	9.2
215.17938	5.2
217.19556	5.4
219.13838	17.0
219.17458	9.5
223.09564	12.3
223.17168	5.6
231.17397	15.3
233.15347	9.2
249.18539	35.2
353.24896	5.6
360.86160	5.9
367.22360	8.3
387.29108	14.9
405.29926	31.1
423.32477	30.0
441.33838	97.0
442.33923	14.7
459.23175	12.3
459.28641	8.5
459.34805	86.5
460.35052	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	459.3468
Annotation	Platanic acid
Peak:m/z	Relative Intensity
50.16327	6.5
51.69276	6.9
55.05511	40.8
57.07075	19.5
60.75317	7.1
67.05497	38.1
69.07075	40.2
79.05489	31.0
81.07063	98.9
83.08630	21.0
91.05476	24.0
93.07043	85.8
95.05010	9.1
95.08605	99.9
97.10169	15.7
98.22623	17.7
103.42821	7.3
105.07027	22.6
107.08585	76.4
109.10169	82.3
111.11713	8.4
119.08576	17.1
121.10128	73.8
123.11703	28.9
131.08598	17.4
133.10153	10.3
135.11708	44.4
137.09589	33.5
139.11232	9.5
143.08589	6.6
145.10153	13.9
146.48468	6.0
147.11659	8.2
149.09648	6.6
149.13269	100.0
153.05516	9.9
159.11789	7.5
161.13268	9.0
163.14842	11.7
177.16422	8.8
185.36392	7.2
187.14728	9.1
189.16409	10.8
201.55902	7.0
205.19528	39.2
207.17479	9.1
209.08095	10.9
223.09688	22.1
235.13338	23.2
237.14862	24.7
249.14799	10.1
302.75272	7.5
441.37488	14.8
459.38373	10.9
474.98724	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	459.347
Annotation	Nanjiol C
Peak:m/z	Relative Intensity
53.03954	1.1
55.05512	8.1
57.07068	2.4
59.04990	1.4
62.51448	0.9
65.03943	1.2
65.05267	1.0
67.05504	21.3
67.12521	1.1
69.03422	1.3
69.07068	18.0
70.57556	3.0
71.04993	4.8
71.08630	1.2
79.05474	7.8
80.05743	0.9
81.03445	1.1
81.07055	23.6
83.04983	2.7
83.08594	5.1
85.06547	1.7
91.05486	8.7
93.07039	16.9
95.04966	88.9
95.08604	27.8
95.09212	1.2
96.05304	2.0
97.06543	4.2
97.10166	3.1
105.07030	13.3
107.04969	1.9
107.08586	19.2
108.08949	1.9
109.06519	4.1
109.10154	100.0
110.10494	4.0
111.08080	2.6
111.11667	1.4
117.07027	1.3
119.08574	18.3
121.06496	2.8
121.10133	18.7
123.08083	3.3
123.11697	8.7
125.09641	2.3
127.07496	1.2
127.11188	56.5
131.08539	5.7
133.10138	14.2
134.10483	1.3
135.08047	3.8
135.11684	14.0
136.12039	1.2
137.05997	4.1
137.09642	4.9
137.13248	3.1
139.07523	3.3
143.08556	2.1
143.75294	1.0
145.10143	7.9
147.08046	1.5
147.11687	11.9
149.05980	1.2
149.13216	6.6
151.07559	3.3
151.11198	3.7
151.14732	1.2
157.10161	3.5
159.11687	8.3
160.11969	1.1
161.09628	2.2
161.13213	9.5
163.07564	1.0
163.11261	1.4
163.14813	5.1
164.15079	1.0
165.09091	1.7
165.12737	1.2
167.03365	1.2
171.11679	3.0
173.13309	5.0
175.14832	6.4
177.09105	2.1
177.12857	1.0
177.16399	1.8
179.14378	1.0
185.13214	2.3
187.14828	4.6
189.12784	1.6
189.16423	8.2
191.14310	1.4
191.17953	11.0
193.12257	3.7
197.13310	1.6
199.14847	2.1
201.16389	5.0
203.17953	3.9
205.12230	1.3
205.15929	2.0
207.13832	1.2
207.17485	5.2
209.08125	3.4
213.16376	1.5
215.14417	1.3
215.17996	4.4
217.15904	1.2
217.19484	1.7
220.78441	1.2
223.09663	3.0
227.17995	1.3
233.15335	1.9
233.19012	3.1
235.13277	2.6
239.17979	1.0
263.12723	1.7
299.24127	1.0
355.29855	1.1
375.17877	1.0
381.31653	1.4
385.30771	1.2
399.32574	3.3
405.31293	1.2
423.31369	5.5
423.36404	5.0
441.33475	54.4
442.33862	6.4
459.23773	4.2
459.34497	17.0
460.35132	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	459.3469
Annotation	Topsentisterol C1
Peak:m/z	Relative Intensity
53.03952	0.8
55.01873	1.3
55.05511	6.4
56.44056	0.6
57.03427	1.0
57.07068	1.7
58.27796	0.7
59.04999	0.8
63.75891	0.6
65.44962	0.6
67.05504	8.8
68.05822	0.6
69.03429	1.8
69.07071	7.6
71.05005	1.4
71.31862	0.7
79.05493	7.2
81.07056	18.5
82.07385	0.8
83.04538	0.8
83.04979	3.2
83.08620	2.9
85.02937	0.7
85.06544	1.5
91.05489	7.7
93.07044	16.2
95.04984	2.3
95.08606	23.4
96.08939	1.1
97.06533	3.2
97.10203	2.5
99.04493	1.4
99.08117	0.7
105.07028	19.7
105.27089	0.6
107.04954	1.8
107.08596	20.5
108.08940	1.1
109.06513	3.0
109.10151	15.9
111.08090	2.4
113.09628	0.6
115.05447	0.7
117.07029	3.2
119.08584	22.8
120.08880	0.9
121.06516	3.9
121.10152	22.7
122.10479	1.0
123.08079	4.7
123.11703	5.4
124.12036	0.7
125.09638	1.9
127.07645	0.6
127.11209	1.3
128.06250	1.5
129.06996	1.6
131.08580	8.0
133.06509	1.4
133.10138	16.4
134.10495	1.1
135.08064	8.6
135.11693	14.1
137.05937	0.7
137.09650	2.7
137.13252	1.9
139.07513	0.8
139.11185	1.2
143.08591	4.1
145.06482	1.1
145.10146	10.5
147.08052	3.3
147.11681	10.0
149.09624	4.1
149.13269	7.4
150.13719	0.7
151.11215	2.3
155.08589	2.1
156.09375	1.0
157.10155	4.6
158.10841	1.1
159.08080	3.4
159.10454	1.1
159.11688	6.6
160.08780	0.8
161.09599	5.0
161.13243	6.8
163.11226	2.5
163.14825	7.3
169.10144	2.3
171.08112	0.8
171.11684	3.9
172.12294	1.2
173.09673	2.6
173.13245	7.0
175.07581	0.7
175.11238	3.3
175.14833	18.4
176.15199	1.0
177.12817	2.4
177.16348	5.9
179.14287	1.0
181.10187	0.8
182.10947	0.7
183.11700	1.7
184.12411	0.8
185.13309	2.0
187.11244	2.2
187.14799	11.8
189.12787	3.4
189.16389	8.8
190.16707	0.7
191.10602	0.9
191.14304	2.3
191.17979	1.7
193.12236	1.1
193.15872	8.4
195.11771	0.8
197.13324	2.6
199.11243	0.7
199.14798	3.8
201.12746	1.8
201.16354	3.1
203.14388	2.7
203.18086	1.6
205.15874	3.8
207.11729	0.7
207.17476	3.5
209.13245	0.9
211.14822	1.5
213.12830	0.9
213.16438	2.3
215.14310	6.7
215.18022	2.0
217.12347	1.2
217.15884	8.5
217.19582	1.0
218.16431	0.7
219.13821	0.9
219.17485	1.5
223.14943	1.3
223.16985	1.2
225.16461	1.7
227.14526	0.9
227.17999	2.4
229.15923	2.1
229.19505	2.3
231.17445	6.8
233.15402	2.8
235.16960	1.0
239.17982	1.6
241.16069	1.3
241.19476	1.7
243.17549	1.5
243.21107	1.4
245.19032	1.3
249.18660	1.4
251.16409	1.4
251.20192	1.0
253.19542	2.5
254.19894	0.7
257.19135	0.7
259.20682	0.8
263.73526	0.7
271.20486	3.1
285.22247	0.8
309.22293	1.1
319.23990	0.9
327.23285	0.9
367.22433	0.9
375.30774	0.9
377.32050	6.1
385.23843	1.2
387.30478	2.6
405.31534	10.8
406.31656	1.2
413.34518	1.6
423.32639	28.4
423.38214	1.4
424.27954	0.9
424.32755	3.4
441.20239	0.8
441.27435	1.0
441.33691	38.0
442.33942	4.0
459.34747	100.0
460.35046	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	459.3463
Annotation	Homaxisterol B2
Peak:m/z	Relative Intensity
55.05507	3.4
57.07079	9.7
58.13299	1.6
67.05502	5.9
68.99793	2.3
69.07066	11.0
69.14474	3.4
69.14883	10.7
71.04989	2.7
71.08630	5.3
79.05497	6.0
81.07053	15.2
83.08621	6.2
85.10188	3.7
91.05480	6.2
93.07046	10.8
95.08589	12.0
97.06534	8.0
97.10200	3.7
99.04456	1.9
103.05410	1.4
105.07015	12.7
107.08597	9.7
109.06495	2.0
109.10155	10.4
111.11750	2.5
119.08584	8.5
121.10162	7.5
123.11740	4.3
127.07633	1.8
131.08557	2.4
133.10120	8.5
135.11726	6.8
137.13240	2.2
139.07506	1.9
145.10182	2.1
147.11710	6.4
149.13261	4.8
157.10118	2.1
159.11691	2.2
161.13281	2.9
175.14806	2.6
189.16318	1.8
199.14943	1.7
295.96744	1.6
330.29852	1.6
413.33969	1.6
438.03574	1.6
459.34720	100.0
460.34897	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	459.3468
Annotation	Homaxisterol B2
Peak:m/z	Relative Intensity
53.03942	4.7
55.05511	27.1
57.07070	6.1
59.04995	3.4
67.05504	39.4
69.03427	4.7
69.07062	28.8
69.14804	2.2
71.05000	5.0
71.31548	2.4
71.31900	2.6
73.06564	8.7
77.03959	2.4
79.05488	32.2
80.41336	2.0
81.03418	2.8
81.07050	72.7
82.07384	2.4
82.23810	2.3
83.04999	4.6
83.08620	22.8
85.06559	9.4
91.05470	38.5
93.07036	69.6
93.07597	4.2
94.07359	3.2
95.04985	6.7
95.08600	100.0
96.08937	3.4
97.06512	11.4
97.10146	10.7
99.08102	4.5
103.05458	2.7
105.07024	73.7
106.07392	2.7
106.52985	2.4
107.04954	3.2
107.08588	89.3
108.51450	2.5
109.06537	7.8
109.10139	68.5
111.08079	10.5
111.11758	3.6
117.07034	10.2
119.08573	94.1
120.08930	2.9
121.06539	9.3
121.10129	75.4
121.10977	4.3
122.10526	3.4
123.08109	8.2
123.11698	26.7
125.09654	5.8
127.11199	4.3
129.07016	6.5
131.08574	36.0
133.10124	88.3
134.10506	4.1
135.08080	6.7
135.11688	66.9
137.06161	2.3
137.09641	6.3
137.13333	6.4
139.07565	5.1
139.11180	4.1
141.06935	3.5
142.07854	2.6
143.08557	13.9
144.09415	3.6
145.10110	48.4
146.10490	3.9
147.08105	2.7
147.11671	64.4
149.09631	7.0
149.13228	28.3
151.07635	3.8
151.11223	6.1
153.09163	2.5
153.12785	2.2
157.10088	12.3
158.10889	2.5
159.08165	3.9
159.11682	45.7
161.09694	3.3
161.13251	48.8
161.14507	3.2
163.07590	4.1
163.11224	4.8
163.14799	31.4
165.09241	2.7
165.12805	9.9
169.10049	4.0
169.76721	2.5
171.11661	12.7
172.12415	2.6
173.13257	53.6
174.13716	3.3
175.11339	2.4
175.14806	31.0
177.09174	4.4
177.12825	8.3
177.16367	15.9
179.10719	2.3
179.14288	10.3
183.11700	2.7
185.13269	12.8
187.14812	65.9
189.12782	6.0
189.16386	43.1
190.16798	3.0
191.10738	3.9
191.14319	16.7
191.17935	73.4
192.18272	2.7
193.12366	6.6
193.15897	4.8
197.13309	4.9
199.14883	9.4
201.12775	4.9
201.16397	20.0
203.14388	7.4
203.17960	38.3
205.12273	3.1
205.15889	32.4
205.19566	3.6
207.13907	6.5
207.17429	11.0
209.13391	2.8
211.14801	3.3
213.16306	11.9
215.14415	8.5
215.17902	17.9
217.12318	2.4
217.16037	5.5
217.19484	15.8
219.13771	11.2
219.17458	3.4
221.15468	2.9
221.19048	6.1
227.17995	6.0
229.19608	9.0
231.17548	3.8
231.21173	7.7
233.15332	34.2
233.19116	5.1
234.15736	3.0
235.17038	4.3
239.18069	4.5
241.19601	8.2
243.21129	3.3
247.17090	2.6
251.20271	3.5
255.21170	5.9
259.17001	3.4
261.18646	2.4
269.21146	7.5
277.21692	2.7
287.20190	7.0
295.24057	2.4
301.21683	5.3
369.31693	2.3
377.32059	11.5
395.33093	77.0
396.33566	10.5
405.31531	7.3
413.34378	10.0
414.07834	2.6
423.32611	48.8
424.32977	4.0
441.34079	23.3
442.34555	2.9
459.34866	82.9
460.35284	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	459.347
Annotation	Topsentisterol C1
Peak:m/z	Relative Intensity
53.03937	2.6
55.01866	3.5
55.05507	18.9
55.97494	0.7
57.03427	2.7
57.07062	3.1
59.05008	1.8
65.03934	3.1
65.53252	0.9
67.05502	35.1
69.03428	2.7
69.07065	18.8
71.04991	2.5
71.08621	1.1
71.31892	1.3
77.03886	1.3
79.05044	1.7
79.05488	27.5
81.03422	7.0
81.07053	57.5
82.07387	1.2
83.04971	3.4
83.08608	10.8
85.06535	3.5
86.73859	0.8
91.04883	1.0
91.05026	0.6
91.05472	28.8
93.07037	40.9
94.07391	1.2
95.04960	13.4
95.08603	82.9
96.08927	2.0
97.06519	6.2
97.10181	7.5
99.04459	0.9
99.08065	1.1
103.05476	1.5
105.07027	51.6
106.07346	2.0
107.04962	4.5
107.08589	75.8
108.08939	2.3
109.06515	8.2
109.10152	47.6
110.10480	2.0
111.04468	1.6
111.08095	7.0
111.11703	1.5
115.05439	2.2
117.07006	7.6
119.08575	68.0
120.08922	2.6
121.02892	0.8
121.06506	6.6
121.10140	46.4
121.73849	0.9
122.10502	1.3
123.04459	1.8
123.08073	10.8
123.11697	13.5
125.05985	2.0
125.09615	8.1
127.07521	1.2
128.06216	1.7
129.06990	5.1
131.04898	2.2
131.08566	14.0
131.09543	0.7
133.06554	4.1
133.10124	70.4
134.10451	2.7
135.08064	4.4
135.10645	2.0
135.11685	41.7
136.12029	1.3
137.05980	1.3
137.09613	4.8
137.13231	10.8
139.06454	1.1
139.07532	22.3
139.11197	2.4
141.06970	1.4
141.90010	0.9
142.07860	1.3
143.08586	6.0
144.09372	0.8
145.06479	3.9
145.10129	21.4
147.08046	4.7
147.11678	43.7
148.12134	1.1
149.09601	5.4
149.13258	14.6
151.07547	4.7
151.11200	5.5
153.09084	3.6
153.12755	1.8
155.08546	3.1
156.09380	1.4
157.06493	1.2
157.10117	9.2
158.10898	1.0
159.08090	2.6
159.11687	12.8
160.12468	1.3
161.06024	1.2
161.09619	5.5
161.13245	32.7
162.13535	1.9
163.11179	3.3
163.14838	10.4
165.09116	2.8
165.12787	2.4
169.10149	3.2
171.08038	0.8
171.11646	7.5
172.11993	0.8
173.09613	1.9
173.13258	13.2
174.13780	0.9
175.11269	6.2
175.14812	24.2
176.15123	1.1
177.09071	1.0
177.12753	2.7
177.16359	11.6
179.10703	2.8
179.14299	12.9
181.10086	1.8
183.11679	3.2
185.09634	1.8
185.13264	7.8
187.11192	3.0
187.14825	11.0
189.09128	1.2
189.12753	3.4
189.16376	100.0
190.16747	5.2
191.14323	1.5
191.17958	6.7
193.10229	1.2
193.12239	2.9
193.15834	1.4
195.08163	0.8
195.11705	2.2
197.13254	3.3
199.11188	2.6
199.14844	5.5
201.09067	1.1
201.12695	1.0
201.16357	6.2
203.14302	2.6
203.17935	9.5
205.12242	1.5
205.15875	3.4
207.13847	1.4
207.17438	18.8
208.17749	1.4
209.13342	1.8
211.14815	1.5
213.12711	1.5
213.16431	2.6
215.14352	3.3
215.17874	4.5
217.12386	1.9
217.15866	15.4
217.19495	2.2
218.19839	0.9
219.17479	2.1
221.15250	1.7
221.18823	0.9
223.14854	2.0
225.16397	1.7
227.17946	2.5
229.15938	1.2
229.19569	2.5
231.17267	1.3
233.15318	2.7
233.18993	2.0
235.14639	1.0
235.16917	27.6
239.17958	2.3
241.15739	1.0
241.19508	3.0
243.17294	1.1
243.21136	1.2
245.15268	1.4
251.17902	1.4
253.19569	1.1
255.21182	1.0
257.18985	2.0
259.20599	2.0
265.18018	2.4
269.19046	1.4
271.17166	0.8
271.20551	1.6
273.18484	1.2
275.19931	1.3
277.21552	2.2
289.21564	2.5
301.21652	1.4
303.22760	1.0
315.23129	1.3
329.24802	3.6
339.23038	2.9
346.24643	0.9
349.21634	2.8
349.25372	0.9
357.24283	1.2
367.22519	7.0
375.30099	1.3
377.32043	1.4
385.23621	10.6
386.24243	1.4
387.30347	1.5
393.31485	2.8
395.33096	3.2
403.24792	1.3
405.31747	5.0
406.31573	0.9
411.27673	1.0
411.32602	11.7
412.33057	1.3
423.32617	37.6
424.32944	4.0
429.33524	2.5
441.33701	43.9
442.33969	3.9
459.27438	19.8
459.34595	40.9
460.27484	2.3
460.35114	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	459.3468
Annotation	Homaxisterol B2
Peak:m/z	Relative Intensity
53.03937	1.4
55.05509	7.6
57.07073	1.8
60.22189	1.2
67.05502	11.0
69.07066	11.2
69.27848	7.8
71.04976	3.6
79.05499	9.4
81.07056	20.3
83.08613	4.4
85.06541	8.0
91.05484	18.1
92.05793	1.4
93.07047	21.0
94.13425	1.2
95.04991	1.6
95.08607	33.6
96.08962	1.3
97.06564	2.5
97.10164	4.1
99.08073	1.5
105.07027	31.8
106.07346	1.2
107.08591	28.3
108.08941	1.2
109.06516	3.1
109.10164	23.0
111.08094	2.0
117.07031	4.1
119.08581	25.3
121.10151	28.6
123.08076	1.8
123.11710	6.9
123.55019	1.3
125.09632	2.6
131.08578	11.0
133.10144	16.8
135.11702	22.1
136.11990	1.5
137.09639	2.2
137.12215	1.0
137.13271	2.8
143.08574	3.6
145.10132	14.7
147.11685	59.0
147.12871	2.9
148.12097	2.0
149.09566	1.7
149.13255	12.0
157.10152	4.3
159.11699	17.2
161.13260	11.8
163.11163	1.6
163.14793	13.6
165.12758	2.3
171.11671	4.1
173.13246	14.4
175.14807	6.9
177.12730	3.5
177.16391	3.7
179.14333	2.3
183.11792	1.2
185.13213	5.5
187.14816	28.1
188.15123	1.3
189.12784	1.4
189.16382	8.5
191.14384	5.6
191.17946	100.0
192.18277	5.8
197.13116	1.3
199.14856	4.1
201.16386	4.8
203.14261	1.3
203.17940	14.5
204.18370	1.7
205.15887	24.4
205.19537	1.9
206.16237	1.6
213.16400	2.4
215.17810	6.2
217.15868	2.0
217.19521	4.9
225.16455	1.4
227.18010	2.5
229.19551	2.0
231.20903	1.5
232.26804	1.1
233.18994	2.5
241.19455	1.2
243.21109	1.4
259.20648	1.7
377.32013	7.1
395.33078	93.8
396.33426	6.9
413.34433	6.4
423.32385	3.1
441.33896	6.4
459.34900	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	459.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	4.4
55.05514	37.2
57.07076	5.9
67.05504	79.0
69.07066	50.3
69.25911	20.4
71.04985	13.6
79.05500	33.9
81.03395	4.1
81.07058	99.1
83.04963	10.4
83.08624	25.3
85.06530	7.1
89.12526	2.9
91.05470	28.3
93.07044	44.3
95.04948	5.7
95.08605	100.0
96.08912	5.4
97.06525	10.0
97.10178	17.4
99.08069	5.7
99.27945	2.9
105.07027	29.1
107.04934	6.3
107.08604	40.2
109.06507	3.7
109.10159	77.0
110.10442	4.6
111.08072	8.5
111.11716	6.2
115.05482	3.1
117.07005	8.3
119.08583	31.0
121.10146	39.7
123.08087	8.1
123.11695	20.4
125.09660	8.5
127.11192	25.3
131.08557	13.8
133.10129	24.8
135.08022	6.2
135.11682	30.8
137.09624	5.6
137.13235	8.0
138.06331	3.1
139.11165	4.7
143.08571	4.6
145.10117	11.4
145.12253	5.1
147.08044	3.2
147.11667	16.5
149.09575	4.5
149.13263	12.9
151.11165	15.2
151.14854	3.7
153.09068	5.0
155.08603	3.1
157.10101	6.7
159.11707	14.5
161.13243	18.3
163.14835	9.4
165.09074	3.0
165.12730	6.7
171.11665	5.8
173.13249	10.8
175.14853	8.5
177.12831	3.3
177.16417	6.6
179.14346	6.4
181.86227	3.0
183.11684	4.3
185.13226	5.1
187.14792	11.0
189.11214	7.7
189.16377	10.2
191.17955	7.9
193.15906	4.3
195.13773	4.1
197.13210	4.6
201.16298	4.4
205.15781	5.2
207.17484	7.2
215.14406	4.5
217.19449	5.7
223.16927	3.9
235.20500	4.4
243.20999	8.8
249.18416	4.5
253.21593	4.7
261.22098	28.5
277.21387	3.2
279.23187	82.6
280.23480	7.8
297.24234	15.1
336.03793	3.0
347.00464	3.1
405.31430	4.0
423.32364	10.6
440.10114	3.9
441.33218	12.7
459.28009	10.8
459.34601	17.6
471.43457	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	459.368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
55.01849	1.3
55.05516	10.4
55.45722	1.4
57.07079	22.0
59.05008	1.9
59.20368	1.6
61.54333	1.5
62.85046	1.3
64.60919	1.5
67.05508	25.0
69.07067	13.7
69.25552	7.0
69.25982	5.2
71.04988	3.2
71.08620	1.6
79.05497	12.3
81.07059	35.6
83.04990	2.6
83.08623	6.2
85.06536	3.5
91.05476	13.1
93.07056	23.4
95.04967	1.8
95.08613	54.6
95.09225	3.1
97.06535	3.8
97.10171	5.5
105.07040	27.6
106.60059	1.6
107.07928	2.9
107.08599	38.7
109.06495	1.9
109.10165	29.5
111.08128	3.1
117.06985	1.5
118.83385	1.4
119.08582	41.9
121.10149	30.0
123.08057	3.6
123.11704	12.9
125.09686	2.4
127.11236	10.2
131.08569	5.4
133.10139	32.9
135.11707	22.6
135.41061	1.6
137.09660	2.7
137.13234	4.1
143.08592	2.1
145.10115	11.1
147.11703	27.8
148.12062	2.5
149.13263	12.6
151.11145	2.8
159.11714	7.9
161.13272	17.2
163.14835	16.6
165.12801	3.4
173.13287	10.1
175.14819	25.4
177.16412	4.0
179.14407	2.4
187.14839	5.1
189.16316	12.2
191.14374	4.8
191.17949	4.4
193.15907	11.1
201.12807	1.6
201.16432	7.7
203.17949	29.5
205.15948	3.9
205.74461	1.5
207.17473	10.1
209.72806	1.8
215.17915	3.3
217.19597	2.7
219.17424	29.0
221.18999	5.7
239.16652	3.6
243.21259	1.8
251.16469	5.3
255.12921	1.5
261.22174	4.5
269.22672	2.4
279.23260	14.6
287.43112	1.8
297.24261	8.9
362.75015	1.8
371.38742	1.8
441.37415	19.8
442.37573	2.9
459.34628	100.0
460.34967	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	459.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.3
55.01864	3.3
55.05505	21.4
57.03426	4.7
57.07071	45.2
58.12407	2.3
62.14701	2.4
67.05500	43.7
69.03440	2.8
69.07063	33.5
71.04990	6.4
71.08611	2.7
79.05479	21.1
80.78709	2.2
81.07053	70.9
83.04994	3.5
83.08600	15.0
85.06553	7.0
85.10175	2.7
89.06012	3.2
91.05460	19.4
93.07042	42.1
95.08602	61.4
96.08955	5.3
97.06510	7.1
97.10172	10.6
99.08038	3.1
105.07022	30.7
107.08590	58.1
109.06524	5.9
109.10157	45.7
110.37906	2.4
111.08086	6.4
115.07611	2.8
117.07052	4.6
119.08579	45.5
120.96655	7.1
121.06474	2.5
121.10130	33.1
123.08067	4.6
123.11711	18.6
125.09626	7.6
126.64777	2.3
127.07554	2.6
127.11165	22.1
131.08553	12.1
133.10124	27.8
135.11690	29.9
137.09636	5.5
137.13300	7.8
139.11169	2.7
142.07771	2.7
143.08582	3.3
145.10114	11.9
147.11659	27.1
149.13286	18.8
151.11217	4.0
159.11755	8.1
161.13278	17.1
162.13655	2.7
163.13652	2.3
163.14796	14.7
165.09152	2.7
171.11595	3.0
171.34497	2.4
173.11967	2.6
173.13240	12.5
175.14821	26.4
177.16350	5.6
179.14246	3.4
183.18945	2.5
187.14871	5.9
189.16461	5.6
191.14323	4.1
191.17998	8.4
193.15930	9.1
201.16379	2.8
203.17941	30.9
205.15802	5.7
207.17462	3.0
215.17999	3.1
219.17445	4.9
221.19061	8.8
243.21176	3.9
249.18544	2.9
261.22168	8.8
279.23206	30.1
297.24341	18.0
309.96176	2.8
318.50662	2.3
339.28888	12.2
405.33890	3.7
413.34329	3.4
423.32541	5.5
441.33270	4.8
441.38016	5.0
442.34369	3.4
459.34766	100.0
460.34949	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	459.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.4
53.03944	0.5
55.01857	0.7
55.05503	5.4
57.07072	1.6
59.04992	0.7
65.03938	1.0
67.05500	16.9
69.03432	1.1
69.07064	13.4
69.15444	1.7
69.15865	1.5
71.04985	5.1
77.03889	0.6
79.05489	5.3
80.05807	0.3
81.07053	14.1
82.07375	0.4
83.04974	1.3
83.08613	3.3
85.06544	1.0
89.39151	0.3
91.05473	5.3
93.07039	12.6
94.07356	0.5
95.04972	2.7
95.08603	19.0
96.08931	0.5
97.06522	2.5
97.10175	1.5
99.04449	0.4
99.08088	0.9
103.05523	0.5
105.07019	11.8
106.07369	0.6
107.04957	0.4
107.08588	18.4
107.32794	0.4
108.08890	1.1
108.60484	0.4
109.06517	2.1
109.10148	100.0
110.10468	3.1
111.08070	2.4
111.11725	0.7
113.09641	0.8
117.07034	1.3
119.08571	16.1
120.08878	0.5
121.06510	1.1
121.10136	17.3
122.10424	0.9
123.08050	1.7
123.11703	6.2
125.09630	3.5
127.11182	57.3
128.11522	1.6
129.06960	0.9
131.08549	4.6
133.06512	0.5
133.10110	13.9
134.10443	0.8
135.08031	1.3
135.11682	11.7
136.12009	0.7
137.09627	1.2
137.13225	1.9
139.07536	1.3
139.11169	1.1
142.07822	0.5
143.08525	2.1
143.10620	0.8
144.09406	0.5
145.10110	8.1
146.10542	0.5
147.08023	0.6
147.10544	0.7
147.11676	12.6
148.11993	0.9
149.09636	1.1
149.13242	4.9
151.11172	1.4
156.09364	0.5
157.08716	0.5
157.10114	2.5
158.10805	0.5
159.11684	9.1
159.12933	0.7
160.12076	0.5
161.09543	1.0
161.13243	7.8
162.13638	0.5
163.11188	1.2
163.14816	4.0
165.09084	0.4
165.12717	0.5
165.16328	0.5
167.10674	1.0
169.10100	0.7
170.10916	0.4
171.11653	2.5
172.12239	0.4
173.09673	0.6
173.13251	6.1
175.11154	0.9
175.14821	4.4
176.15111	0.4
177.12753	1.2
177.16347	1.6
179.14368	1.0
181.15858	0.4
183.11641	1.1
185.13219	2.1
186.13609	0.5
187.11119	0.5
187.14824	5.0
189.12834	0.6
189.16373	8.6
189.17984	0.7
190.16675	0.6
191.14299	0.7
191.17941	8.7
192.18335	0.4
193.15808	0.4
195.13940	0.6
197.13266	1.0
199.14812	1.8
201.16356	6.8
201.18103	0.6
203.14430	0.7
203.17950	7.9
205.15822	1.0
205.19638	0.3
207.17412	5.0
208.17825	0.7
211.14850	0.8
213.14600	0.4
213.16403	1.2
215.14322	0.5
215.17932	5.2
216.18216	0.4
217.12257	0.8
217.15878	0.4
217.19519	1.5
218.12512	1.0
219.17418	1.3
221.19009	0.9
225.16321	0.5
227.17963	1.6
228.80545	0.4
229.19492	0.9
231.17334	0.7
232.03931	0.3
233.15454	2.4
233.18973	3.4
241.19473	0.5
243.21152	0.7
247.20645	0.5
251.16466	1.2
251.20053	0.7
253.19412	0.5
255.21042	1.2
257.22644	1.3
269.22488	1.7
283.24030	0.5
285.22128	0.4
287.23477	0.6
301.25037	0.5
327.26926	0.4
329.25015	0.4
337.28918	1.0
355.29889	0.5
385.31000	0.9
405.34979	1.1
423.31180	0.7
423.36658	7.6
424.36566	0.8
441.32538	4.9
441.37720	2.5
442.33340	0.6
459.33386	2.1
459.38348	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
55.01873	0.5
55.05508	5.9
57.03430	0.5
57.07074	1.6
64.10092	0.3
65.03924	0.8
67.05502	18.2
69.03423	1.5
69.07064	16.6
70.07388	0.5
70.75870	0.4
71.04994	4.1
71.08645	0.4
79.05487	6.4
81.07052	15.1
81.09435	0.3
83.04974	1.7
83.08617	4.3
85.06544	1.3
91.05475	6.7
93.07037	13.6
93.46265	0.3
95.04974	2.4
95.08602	19.8
96.08938	1.0
97.06528	1.9
97.10155	1.2
99.08073	1.3
103.05490	0.4
105.07024	13.4
107.08590	20.9
108.08906	1.1
109.06493	1.8
109.10150	100.0
110.10481	2.8
111.08070	2.5
113.09701	0.4
115.05393	0.4
117.07013	1.2
119.08575	17.3
120.08881	0.4
121.06487	1.6
121.10136	19.7
122.10465	0.8
123.08066	1.7
123.11684	6.6
124.11993	0.4
125.09615	3.6
127.07589	0.8
127.11185	56.7
128.06250	0.4
128.11530	1.8
129.07022	1.0
130.07831	0.4
131.08557	5.0
133.10118	15.2
134.10458	0.4
135.08049	1.2
135.11684	12.4
136.11966	0.8
137.09604	1.4
137.13235	1.9
139.07512	2.0
139.11165	1.4
142.07742	0.4
143.08553	2.4
143.10695	0.8
144.09375	0.5
145.08965	0.4
145.10110	8.6
146.10588	0.4
147.08075	0.5
147.11671	13.3
148.12073	0.6
149.09595	1.1
149.13254	5.0
151.11163	1.4
153.09207	0.4
155.10643	0.4
157.08707	0.8
157.10114	2.7
159.11687	9.6
160.12114	0.7
161.09641	0.7
161.13257	7.2
162.13751	0.7
163.11154	1.0
163.14810	3.7
165.12740	0.7
167.10669	1.5
167.14296	0.4
169.10095	1.0
170.10800	0.4
171.11722	2.8
173.09621	0.6
173.13277	5.3
175.11214	0.9
175.14845	4.5
176.15216	0.4
177.12709	1.4
177.16423	1.8
179.10559	0.4
179.14240	0.9
183.11743	0.9
184.12212	0.5
185.11800	0.4
185.13193	2.1
186.13776	0.6
187.14809	6.0
189.12750	0.5
189.14648	0.4
189.16367	8.4
190.16698	0.9
191.14278	1.0
191.17947	9.0
193.15919	0.5
195.13811	1.3
197.13275	1.2
199.14851	2.3
201.16367	8.7
202.16692	0.3
203.14293	0.8
203.17928	9.7
203.19804	0.5
204.18222	0.5
205.12256	0.5
205.15810	0.8
205.19528	0.5
207.13896	0.4
207.17456	4.3
208.17720	0.9
209.18037	0.6
211.14830	0.9
213.12819	0.4
213.16444	1.9
215.14215	0.4
215.17935	5.1
217.12305	0.8
217.15817	0.8
217.19456	1.3
218.12555	1.0
219.17494	0.7
223.13235	0.5
227.17938	2.0
229.19460	1.1
231.17461	0.7
233.15387	4.8
233.18922	3.2
234.15588	0.4
239.17982	0.6
241.19418	0.9
243.20998	0.9
247.20364	0.6
251.16342	2.5
253.19510	0.6
255.21001	1.3
257.22626	1.6
267.21051	0.8
269.22696	3.3
270.22845	0.5
273.21454	0.4
281.22336	0.4
287.23550	1.0
327.26804	0.4
337.28613	0.6
355.29953	0.6
385.31046	0.5
395.33118	0.6
405.34998	1.2
423.31696	1.7
423.36914	6.7
424.36465	1.2
441.32800	11.2
441.38080	1.9
442.33676	1.4
443.26929	0.4
459.33469	2.6
459.38416	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54020	0.5
53.03932	0.6
53.39558	0.5
55.01880	0.6
55.05510	4.1
57.07067	1.6
61.47805	0.4
65.03945	1.3
67.05510	17.0
69.03439	0.7
69.07070	12.0
69.23479	4.1
70.07391	0.4
71.04997	4.0
74.31739	0.4
79.05502	3.9
81.06566	0.6
81.07056	11.7
83.04987	2.5
83.08607	3.1
85.06540	1.2
89.08203	0.5
91.05457	3.2
93.07049	8.8
95.04974	17.3
95.08020	0.9
95.08612	14.0
97.06525	1.8
97.10154	0.8
99.08082	1.1
105.07027	7.6
107.08593	11.9
107.09263	1.0
109.06538	1.2
109.10159	100.0
110.10507	2.9
111.08102	1.3
111.11709	0.8
113.09636	0.7
117.07018	1.2
119.08584	10.8
121.06514	0.9
121.10155	9.9
122.10483	0.6
123.08111	1.4
123.11696	4.1
125.09626	1.9
127.11195	55.9
128.11520	1.2
131.08539	3.0
133.10133	9.0
135.08070	1.0
135.11687	8.4
137.06007	0.7
137.09628	3.1
137.13264	1.3
139.07599	0.7
139.11174	0.9
143.08556	1.4
143.10722	0.6
145.10091	4.6
147.08113	0.6
147.11681	7.8
149.13271	3.4
151.07613	0.7
151.11189	1.8
153.05371	0.6
157.10143	2.3
159.11722	6.5
161.13263	5.0
163.11275	0.7
163.14832	3.0
167.03432	1.9
171.11684	1.1
173.13289	3.4
175.11191	0.7
175.14838	2.4
177.12822	0.9
177.16371	1.3
179.14281	0.8
181.08617	1.2
185.13374	1.1
187.14792	2.8
189.16405	7.1
191.17947	7.4
193.12180	0.9
193.15878	0.6
195.10172	0.6
199.14912	0.5
201.16367	3.4
203.14241	0.7
203.17960	3.6
207.17413	3.5
209.08060	5.3
211.14761	0.7
213.16391	1.0
215.17931	3.1
217.19577	1.5
219.13918	0.7
219.17467	1.3
221.19153	0.6
223.09636	3.8
227.17833	0.6
233.18983	3.7
235.13274	1.7
243.21176	0.6
249.14935	1.4
255.21136	0.8
257.22678	0.8
277.14474	1.5
284.03827	0.6
355.29944	0.6
375.18292	0.8
383.29443	0.7
385.16531	0.6
385.30896	1.2
405.35245	1.2
423.36530	8.2
424.36539	0.8
431.24142	0.9
441.32529	8.1
441.38037	2.8
442.33734	1.1
459.23685	6.6
459.39276	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09120	4.0
53.27422	3.4
55.05507	23.9
57.07076	11.9
59.04993	4.5
65.03947	5.8
67.05494	34.0
69.07067	37.0
71.04979	21.6
79.05489	25.1
81.07055	92.5
83.04991	8.4
83.08611	20.3
85.06541	7.0
85.18366	4.0
85.21825	3.8
91.05484	15.2
93.07038	66.0
95.08604	100.0
96.08897	7.3
97.06536	6.8
97.10152	14.9
99.08093	11.6
99.75025	4.2
104.10271	3.9
105.07039	40.3
107.08587	89.8
109.06529	9.5
109.10156	95.1
111.08076	12.4
113.09644	4.9
117.07028	7.7
119.08587	61.8
121.06517	5.5
121.10145	70.5
123.08074	8.1
123.11704	47.1
125.09627	12.7
127.11195	15.8
130.07835	4.5
131.08549	17.9
133.10132	52.2
135.08116	5.4
135.11691	79.1
136.12039	7.7
137.09576	11.0
137.13248	10.1
143.08569	8.9
145.10120	40.3
147.11678	33.7
149.09663	6.9
149.13246	36.3
151.07518	4.2
151.11186	8.3
153.12764	12.6
157.10138	12.2
159.11693	36.3
160.12035	4.5
161.13281	27.2
163.11153	11.6
163.14786	12.4
165.12735	5.8
171.11607	9.4
173.13220	20.7
175.14769	25.7
177.12729	7.2
177.16396	10.6
187.14757	22.2
189.16368	18.3
191.17958	35.4
193.15901	7.5
197.13240	5.2
199.14876	12.9
201.16379	29.6
203.14314	6.0
203.17949	17.9
205.15936	8.8
205.19551	8.0
209.19041	14.5
213.16525	7.2
215.17906	20.5
217.19487	14.1
219.17401	19.8
227.17953	8.2
229.19521	13.9
231.17444	4.7
233.18991	13.6
261.12250	4.6
423.36435	33.8
441.37888	28.1
459.34207	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	459.383
Annotation	Protoprimulagenin A
Peak:m/z	Relative Intensity
50.20124	0.6
53.03945	1.7
55.05510	25.3
57.03429	1.0
57.07061	2.1
59.05015	1.0
65.03934	1.1
67.05500	10.8
67.44579	0.6
69.03421	1.2
69.07066	13.9
71.04983	1.5
71.08649	0.9
71.31087	0.9
73.65485	0.7
79.05494	8.0
81.06573	1.3
81.07053	23.9
83.04980	1.0
83.08619	20.6
84.96576	0.7
85.06541	1.9
91.05469	7.0
93.07038	19.4
95.05000	1.6
95.08604	32.7
96.08939	1.3
97.06538	3.1
97.10174	2.8
99.08084	2.5
105.07019	11.7
107.08592	29.8
108.08888	0.9
109.06518	3.1
109.10149	21.9
111.08067	6.1
111.11722	1.7
113.09666	1.9
117.07024	1.6
119.08572	16.4
121.06514	2.9
121.10137	27.9
121.10996	1.4
122.10499	1.2
123.08089	4.3
123.11689	10.1
125.09609	3.3
127.11170	1.7
129.09109	1.2
129.57043	0.8
131.08557	4.3
133.10126	14.4
135.08064	4.6
135.10651	1.3
135.11684	23.8
136.12027	1.1
137.09622	5.4
137.13248	2.2
139.11159	3.8
143.08548	1.4
145.10123	7.4
147.08104	1.5
147.11681	10.5
149.08548	1.0
149.09584	4.8
149.13257	8.3
150.10400	3.1
151.11160	4.6
157.10089	1.7
159.11665	8.7
161.09615	1.0
161.13255	9.6
163.11133	3.7
163.14813	8.1
165.09177	0.9
165.12788	0.9
167.10663	0.9
168.78020	0.7
171.11720	2.2
173.13214	5.2
175.11195	1.3
175.14821	4.5
177.12798	2.5
177.16402	2.8
178.13521	1.7
179.14334	1.5
185.13284	1.6
186.64296	0.6
187.14748	4.1
189.16377	9.5
190.16887	0.6
191.14299	1.3
191.17937	8.8
192.15091	0.8
193.15900	0.9
199.14799	2.2
201.16377	8.0
203.17908	6.9
205.16019	1.0
205.19557	1.4
207.17442	10.7
213.16467	2.0
215.17894	3.4
217.15968	0.8
217.19603	1.3
219.17442	19.0
220.17824	1.1
221.19026	2.6
229.19502	2.2
233.19046	5.2
235.20642	1.3
237.14893	4.3
247.20659	1.4
251.20036	16.2
251.22510	1.0
252.20354	1.1
255.21071	0.8
261.22238	1.6
269.22580	0.7
275.23425	1.1
279.23151	2.3
293.24768	1.5
301.25247	1.8
313.25272	1.0
319.26450	0.9
345.27673	0.7
347.29449	1.6
405.35016	1.0
423.36276	10.1
441.37347	100.0
442.37857	10.5
448.84143	0.8
459.38541	49.5
460.39066	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	459.3831
Annotation	Kudzusapogenol C
Peak:m/z	Relative Intensity
53.03944	1.3
55.05515	9.2
57.07079	5.1
62.89251	0.8
65.03946	1.5
67.05501	17.7
69.03429	1.0
69.07067	16.0
70.50945	1.0
70.51271	2.0
71.04980	1.6
71.08623	1.9
79.05487	11.8
81.07056	35.1
83.04990	1.7
83.08624	6.7
85.06532	2.1
91.05475	10.6
93.07047	28.7
95.04964	2.9
95.08604	45.7
96.08958	1.0
97.06526	2.7
97.10157	4.1
99.08035	1.0
105.07025	22.6
105.07735	1.1
107.08590	43.7
108.08899	1.4
109.06504	3.8
109.10151	30.9
110.10505	1.0
111.08076	2.5
111.11748	1.3
113.09583	0.9
117.07024	3.5
118.25512	0.8
119.08577	30.0
120.08935	1.4
121.10142	27.1
122.10491	0.9
123.08101	5.2
123.11700	11.2
125.09646	1.1
131.08551	9.9
133.10129	27.9
134.10497	0.8
135.11691	40.4
136.12106	1.5
137.09607	4.5
137.13242	2.7
139.11180	1.6
143.08568	2.7
144.09380	0.9
145.10117	21.5
147.11676	20.8
149.09724	1.5
149.13251	10.8
151.11195	3.3
157.10143	3.9
159.11690	17.1
161.13268	16.3
162.13669	1.0
163.11160	1.3
163.14818	17.0
163.16171	1.0
164.15306	1.0
165.12785	2.7
171.11719	4.0
173.13275	9.1
175.14839	11.5
177.16394	10.7
179.14276	1.4
185.13292	3.0
187.14806	7.0
189.16379	35.5
190.16745	1.8
191.14423	1.1
191.17947	8.7
199.14862	2.5
201.16388	24.7
202.16777	1.4
203.17940	10.3
205.15991	1.4
205.19534	2.0
207.17439	51.1
208.17786	2.8
213.16440	3.4
215.17912	12.1
216.18317	1.8
217.19501	4.4
219.17435	90.3
220.17825	5.5
221.19026	1.6
227.17964	2.3
229.19446	6.7
231.21077	1.4
233.19016	6.0
235.20517	1.8
241.19406	1.3
243.21069	5.1
247.20624	2.0
255.21194	2.5
256.10956	1.1
257.22598	1.5
261.22150	2.3
269.22668	6.2
270.12689	1.2
271.13361	1.8
271.24313	1.1
273.22256	2.6
283.24298	2.7
285.14813	4.3
287.23611	1.6
289.14215	1.9
299.16388	2.4
301.25317	1.9
303.15887	7.7
317.17682	2.2
341.17502	1.6
369.17181	1.4
387.18140	2.9
401.19644	3.4
405.35211	4.9
411.36386	3.2
423.36197	23.6
424.36572	2.8
431.24420	1.7
441.37271	100.0
442.37527	11.6
459.23898	5.5
459.38376	33.8
460.24155	0.9
460.38657	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	459.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	6.3
55.05511	41.3
57.03436	14.3
57.07068	16.3
59.04996	10.1
67.05501	46.1
69.03408	11.3
69.05573	11.1
69.06001	12.4
69.07066	82.3
71.05001	6.8
71.08631	6.4
79.05492	30.4
81.07050	73.5
82.07359	3.5
82.83949	2.1
83.04993	5.8
83.08615	36.5
85.06542	9.6
89.95216	2.6
91.05487	18.1
93.07040	60.4
95.04972	4.2
95.08597	73.7
95.58811	2.8
97.06514	13.8
97.10158	20.9
99.08096	5.3
105.07024	29.6
106.07359	3.1
107.08586	69.2
109.06512	4.2
109.10145	56.4
110.10502	2.8
111.08075	10.9
111.11718	8.0
111.23749	2.3
113.09653	4.8
117.07013	6.0
119.08570	36.0
120.08788	2.4
120.96628	70.6
121.10140	59.2
122.10441	3.0
123.08074	4.9
123.11689	24.5
125.09579	12.3
126.55371	2.4
126.73985	2.3
127.11207	2.8
131.08553	11.5
133.10132	29.8
134.10432	2.4
135.08057	3.5
135.11674	43.1
137.09610	4.9
137.13249	9.2
139.11194	7.8
143.08540	5.7
145.10118	18.5
145.84961	2.2
147.11691	24.1
149.13242	36.3
153.12726	3.0
157.10158	8.7
159.11705	19.2
161.13245	15.6
163.11224	3.6
163.14842	9.8
167.14281	12.1
171.11736	6.5
173.13228	15.0
175.14783	11.6
177.12888	2.7
177.16414	11.0
183.11707	3.4
183.13823	2.4
185.13289	7.1
187.14833	15.2
189.12794	2.5
189.16376	9.4
191.17924	4.2
195.00362	7.7
197.13260	3.0
199.14879	5.7
201.16405	21.5
203.17947	19.5
209.45839	2.7
211.14742	3.2
213.16382	7.7
215.17969	9.7
219.17455	6.4
223.50870	2.7
225.16284	3.5
227.17923	12.6
233.19000	10.8
241.19531	3.9
253.19357	2.8
255.20964	3.4
257.22693	4.6
269.22559	14.3
287.23816	2.5
339.28909	100.0
340.29303	9.0
361.27084	11.3
379.27585	2.9
405.35614	3.1
423.36456	47.3
424.36697	5.0
441.32953	7.6
441.37381	10.9
459.24777	43.7
459.34528	8.4
460.25159	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	459.3831
Annotation	Myrrhanone A
Peak:m/z	Relative Intensity
50.41669	1.5
55.05507	9.7
57.07069	3.7
61.55783	1.5
65.03951	2.0
67.05503	19.4
69.03414	2.3
69.07076	13.0
71.04988	2.2
71.08624	1.9
75.47750	1.5
79.05476	11.6
81.06565	2.2
81.07049	39.2
83.04949	1.6
83.08616	5.9
85.06541	3.7
89.81467	1.3
91.05482	11.0
93.06452	2.1
93.07042	30.0
95.04958	5.2
95.08601	46.3
97.06502	3.3
97.10171	5.2
99.08078	2.0
105.07025	28.0
106.94684	1.3
107.08587	42.2
109.06525	6.0
109.10154	29.7
111.08109	3.6
111.11762	1.7
117.06994	4.6
119.08578	32.8
120.13038	1.2
121.06503	2.1
121.10142	34.5
122.10475	1.7
123.08054	6.8
123.11698	12.5
125.05995	1.8
125.09650	6.3
125.10481	1.5
131.08565	9.8
133.10124	23.9
135.08046	3.2
135.11693	32.2
136.12018	1.6
137.09602	4.8
137.13205	2.9
139.11198	2.2
142.07770	2.0
143.08490	2.3
145.10117	16.1
147.11674	15.2
149.09621	3.9
149.13255	10.6
151.11137	4.1
156.09360	1.4
157.10115	4.9
159.11685	12.4
161.09627	1.7
161.13258	17.6
163.11140	2.8
163.14809	9.6
165.09100	1.6
165.12766	1.6
171.11613	2.1
173.13246	13.4
175.14809	8.1
177.09045	1.3
177.12761	2.3
177.16385	5.5
179.14284	1.7
185.13277	3.2
187.14825	6.2
189.16406	23.4
191.14310	2.6
191.16164	1.5
191.17938	6.3
193.15927	2.1
197.13313	1.6
199.14844	5.5
201.16371	18.7
203.17953	3.7
205.08716	1.8
205.15869	2.5
207.15814	1.2
207.17441	31.0
208.17778	1.8
209.15454	1.5
213.16389	2.4
215.17851	4.2
217.15868	2.4
217.19615	2.1
219.17433	100.0
220.17735	5.2
227.17911	2.8
229.19464	3.0
233.18958	3.0
237.11179	4.1
243.21254	2.0
248.13503	1.9
255.21074	1.4
265.14172	2.8
266.14883	2.2
269.22614	3.4
283.24121	1.6
399.32230	2.3
405.31143	6.7
413.34512	1.4
423.32385	5.2
423.36777	4.3
424.36649	2.0
441.37549	84.9
442.37997	8.2
459.24265	3.0
459.33740	6.1
459.38263	13.5
460.38571	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.7
55.05505	27.8
57.07072	15.3
58.81615	4.2
60.07993	3.7
67.05506	42.6
69.03436	6.5
69.07064	64.9
71.04983	13.4
71.08647	3.4
71.11481	8.0
73.22487	3.8
79.05485	27.7
79.24449	3.5
81.07049	75.3
81.59441	3.6
83.04977	11.5
83.08607	20.8
84.45406	3.6
85.06539	53.9
91.05474	26.5
93.07048	56.9
95.04968	6.9
95.08607	100.0
96.08929	8.4
97.06538	11.9
97.10172	11.7
99.08057	11.7
105.07026	43.6
107.04964	3.7
107.08590	76.1
108.08919	6.6
109.06503	8.5
109.10149	78.3
110.10475	4.6
111.08073	12.2
111.11713	7.8
113.09608	34.0
117.07014	5.3
119.08578	50.9
120.96626	5.2
121.06490	6.1
121.10141	54.9
122.10489	5.5
123.08056	7.8
123.11719	26.9
125.09628	25.9
127.11186	13.0
129.03438	3.7
131.08511	19.7
133.10109	46.5
135.08102	5.6
135.11668	41.5
137.09634	9.7
137.13260	13.9
139.11223	9.9
141.12738	6.9
143.08577	9.4
145.10127	34.9
146.44646	3.9
147.07980	3.6
147.11682	29.9
149.09583	7.2
149.13286	23.1
151.07506	10.9
151.11150	10.6
153.12834	4.8
157.10106	13.9
159.11684	32.0
161.09627	4.8
161.13245	28.1
163.11227	4.9
163.14848	20.7
165.12758	4.9
167.14345	5.5
171.11693	9.6
173.13252	21.6
175.11247	5.9
175.14856	24.0
176.15126	4.3
177.12714	5.2
177.16336	8.7
179.14232	5.5
185.13272	8.7
187.14845	15.5
189.12804	4.5
189.16405	19.2
191.10684	15.1
191.14427	4.0
191.17964	8.7
197.13243	5.7
199.14850	12.6
201.16347	18.8
203.14313	5.4
203.18033	12.1
205.15825	5.3
207.17523	5.1
213.16466	9.2
215.17972	17.5
217.15889	4.4
219.17531	8.5
227.18091	5.6
231.17432	6.1
233.15350	4.3
245.18974	4.0
283.24365	6.2
301.21756	3.8
301.25125	6.9
330.24658	4.3
339.28046	6.6
405.31888	3.8
423.31976	8.0
423.36798	8.2
441.32932	8.2
441.37604	12.7
459.23828	5.6
459.38120	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	460.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.3
56.05040	9.2
57.03433	1.8
57.10329	1.1
61.69295	1.1
69.03428	2.6
69.15636	1.1
70.06596	2.1
70.54580	4.0
74.06078	100.0
81.03418	1.6
84.04491	4.8
84.08112	1.6
85.02900	2.0
86.06050	1.6
97.02872	3.1
98.06039	7.3
98.97579	13.9
99.97926	1.3
102.05557	7.1
109.02887	7.2
111.39426	1.1
116.07092	54.3
116.98632	3.8
120.06584	15.4
129.05458	1.8
134.99759	1.4
144.06555	55.0
145.04979	2.2
145.06895	1.4
153.01801	3.0
158.99640	2.6
162.07581	7.6
177.00743	2.0
237.02809	1.7
240.08714	2.0
246.09785	3.2
248.56264	1.1
255.05206	1.6
256.05887	1.3
269.42535	1.3
270.09705	11.5
271.10126	1.3
280.05768	2.9
288.10663	5.8
298.07266	2.5
306.12009	1.3
306.34601	1.6
315.10635	1.8
351.95636	1.2
389.16046	1.3
400.09964	4.8
418.10916	3.9
460.11914	1.5
460.17804	5.2
461.10269	2.1
461.16101	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	460.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
71.32587	0.7
79.05476	1.5
81.03416	0.9
91.05492	1.2
94.04187	1.5
95.04951	1.1
103.05447	1.2
105.07047	1.2
107.04948	74.1
122.03622	3.9
123.04433	0.9
131.04912	3.2
133.06496	1.1
137.05971	100.0
138.06285	3.5
156.42891	0.6
163.07532	7.0
165.01872	0.8
165.09100	0.9
166.06105	0.8
181.08578	8.2
189.05460	2.5
193.04991	0.9
195.03023	0.7
203.06934	0.8
205.04961	14.0
217.04996	2.5
231.06451	4.3
233.65984	0.7
235.06029	8.5
243.03214	2.4
245.08125	1.8
259.05966	1.6
271.06000	1.1
282.05280	0.9
283.05942	1.1
299.09229	1.0
310.07684	0.8
311.09113	28.6
311.12714	1.5
323.09198	1.9
337.10626	2.1
341.10190	24.8
351.12332	2.5
365.10211	18.5
377.10312	3.7
379.11993	0.9
389.10284	4.3
395.11270	7.1
407.11127	6.0
424.11160	0.7
425.12253	6.5
443.13339	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	460.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	9.2
55.01867	11.0
55.05510	0.8
57.03438	6.9
60.04517	1.2
61.02923	6.0
67.05509	1.0
68.99786	4.5
69.03426	33.1
69.84257	2.8
69.97929	0.8
71.04992	5.7
73.02917	9.6
79.05477	4.5
81.03413	32.6
81.07068	1.5
83.04984	1.9
85.02901	83.6
86.03227	1.0
87.00824	34.0
91.03967	1.8
91.05478	3.6
94.58002	0.8
95.04958	1.3
97.02886	32.3
99.04445	14.0
103.05487	2.6
105.01861	27.0
105.07036	6.5
107.04947	40.7
107.08547	1.4
108.04477	11.5
108.05250	1.3
109.02872	31.6
115.03955	1.3
115.05478	3.2
117.01846	4.9
117.06993	1.0
121.06518	1.4
123.04398	1.4
124.05176	0.8
126.05504	6.1
127.03909	52.6
129.01865	2.5
131.08543	1.5
135.08047	13.6
137.05969	2.2
139.86011	0.8
142.74098	0.9
145.04951	27.1
147.02902	2.8
149.05940	1.8
151.07520	1.0
159.02885	19.6
159.08101	1.2
163.07541	43.8
164.07930	2.1
165.09148	3.3
167.07016	16.4
168.07451	1.2
175.07509	2.0
180.07870	2.9
181.05009	1.6
187.07593	2.6
189.04044	1.8
195.10153	100.0
196.10463	5.4
204.08084	0.8
205.04779	1.5
205.08583	2.1
207.10156	4.3
213.03986	2.0
219.10191	1.3
222.48915	1.0
225.09174	1.1
230.06609	2.9
231.04950	8.9
246.08441	1.7
248.07649	4.1
249.06038	1.7
266.08783	1.4
285.11392	0.9
303.12198	2.2
371.16721	1.0
401.48584	1.0
461.18054	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	460.363
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30876	0.8
55.05483	2.9
55.39017	0.8
57.03438	5.4
57.07071	10.2
58.06597	35.8
59.07381	11.4
60.08163	12.1
60.94981	0.6
67.05219	0.6
67.05494	6.4
69.03392	0.8
69.07056	4.9
69.15525	1.8
69.15925	6.3
70.07397	0.9
71.04962	0.6
71.08622	5.9
73.02895	1.4
75.04449	2.9
79.05465	1.8
80.05819	0.7
81.07043	6.9
82.07356	1.5
83.04948	0.8
83.08602	2.8
85.02875	2.7
85.06518	1.3
85.10206	3.7
87.04468	5.6
91.05440	1.4
93.07047	3.7
95.08607	8.2
97.06468	1.1
97.10159	1.5
105.07004	2.7
106.07318	0.9
107.08557	3.3
108.08862	0.9
109.10190	4.8
110.10429	1.2
111.08023	0.9
113.05978	1.3
119.08542	2.9
120.08907	1.0
121.06532	0.8
121.10126	2.8
122.10471	1.1
123.08049	1.0
123.11696	2.3
127.11146	0.9
131.07002	2.4
131.08490	1.3
133.10074	2.3
135.07941	0.8
135.11658	1.8
135.37299	0.7
137.13310	1.0
144.10172	10.7
145.10118	1.8
147.11670	1.0
149.13225	1.7
159.11676	1.2
162.11229	1.9
163.14749	0.9
173.13260	1.3
175.14803	1.4
177.05441	1.8
191.14240	0.7
193.15651	1.1
200.12686	0.9
201.16277	0.7
203.17856	1.0
218.13869	1.0
236.14914	100.0
237.15231	3.7
252.51385	0.7
299.25983	0.8
364.68707	0.7
398.36395	1.1
414.30872	2.2
424.32770	1.2
442.35175	29.1
443.35611	2.3
460.36310	90.0
461.30634	1.4
461.36618	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	461.144
Annotation	Isoembigenin
Peak:m/z	Relative Intensity
52.86655	0.3
53.03937	0.7
55.01871	0.6
57.03418	0.4
69.03439	0.4
69.44297	0.6
69.44684	2.0
79.05507	1.5
81.03414	0.9
85.02899	0.8
93.07025	0.4
95.04956	1.5
98.23331	0.5
103.03947	0.5
105.04516	0.4
107.04950	100.0
108.05280	2.4
109.02873	0.5
121.02906	0.4
131.04915	0.3
137.05975	4.0
138.06302	1.7
151.03830	0.3
161.05986	0.8
165.01816	1.6
177.05406	0.6
181.08598	0.6
189.05478	2.9
193.04942	1.0
203.07028	1.4
204.04178	0.7
205.04953	17.6
206.05565	1.3
217.04933	2.9
217.08301	0.3
218.05449	0.4
219.06467	0.5
227.07051	0.6
229.05040	1.0
230.05751	1.0
231.02957	0.7
231.06506	6.2
235.06007	13.5
243.06725	0.5
244.07234	0.4
245.08043	2.4
255.06404	0.4
258.05307	0.6
259.05981	2.5
270.05225	0.4
271.05957	2.0
273.95264	0.4
282.05246	0.7
283.05945	1.2
299.09174	1.7
301.07089	1.4
311.09106	37.9
312.09442	2.6
323.09067	1.5
335.09061	0.5
337.10574	3.2
339.08734	0.4
341.10172	29.5
342.10425	1.9
351.12366	3.3
361.10770	0.6
365.10175	20.8
366.10468	2.0
377.10156	4.3
379.11700	0.9
389.10168	4.7
395.11258	8.4
396.11853	0.6
400.64966	0.3
407.06143	0.6
407.11243	9.3
408.11719	0.8
425.12308	9.0
426.12393	0.4
434.44055	0.4
443.13263	3.2
461.14279	1.0
487.17047	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1438
Annotation	8-Hydroxy-4',7-dimethoxyisoflavone 8-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
51.56006	0.1
52.46607	0.1
54.44561	0.1
55.05489	0.2
69.07084	0.1
71.26153	0.2
79.05466	0.2
81.07039	0.2
93.07017	0.3
94.48058	0.1
95.08578	0.3
100.11241	0.6
102.17876	0.1
105.06968	0.2
107.08554	0.2
111.04460	0.1
115.05499	0.1
119.08569	0.2
121.06611	0.1
129.06995	0.1
133.06464	0.8
135.04402	0.2
137.05936	0.2
137.09619	0.2
165.09135	0.6
167.03343	0.9
167.07054	0.2
170.15396	0.2
177.05688	0.1
182.15401	0.3
198.14923	0.2
209.13239	0.1
210.14912	0.3
222.37953	0.1
237.35852	0.1
256.07281	15.7
257.07663	0.7
284.06772	10.8
285.07114	0.7
297.07550	0.4
299.09103	100.0
300.09445	6.4
364.01526	0.1
383.13748	0.2
409.57986	0.1
438.82483	0.1
461.15460	1.0
486.36719	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	461.1441
Annotation	Isoembigenin
Peak:m/z	Relative Intensity
51.02361	0.4
53.03936	0.9
55.01866	0.3
57.03392	0.2
61.47113	0.2
64.78302	0.2
67.01850	0.2
69.03433	0.2
71.32468	0.3
73.04768	0.2
77.03916	0.4
79.01856	0.2
79.05501	1.4
81.03411	0.6
85.02888	0.7
95.04951	1.2
97.02917	0.3
105.04507	0.6
107.04951	100.0
108.05281	2.5
123.04443	0.2
128.24280	0.2
129.06987	0.2
137.05968	0.5
143.03386	0.3
147.04388	0.5
149.05966	0.5
151.03934	0.3
153.01862	1.7
161.05971	0.2
165.01848	0.8
165.05470	0.7
167.06976	0.3
173.22577	0.2
175.07535	0.2
177.05434	0.4
178.06252	0.4
181.04965	0.5
183.02817	0.3
187.03860	0.3
189.05396	0.3
192.04056	0.3
193.05016	0.6
195.02849	0.3
195.63019	0.2
201.51825	0.2
203.07143	0.2
205.04948	12.7
206.05719	4.8
207.06427	0.5
216.04280	0.4
217.04971	3.1
219.06516	1.7
229.04956	0.4
230.05748	0.6
231.06471	1.2
233.04443	1.1
235.06000	16.5
236.06343	0.6
241.04985	0.4
243.02887	0.7
245.04456	0.6
245.08112	3.0
247.05856	1.0
249.07681	0.3
259.06021	4.6
260.06216	0.3
261.03891	0.9
265.07117	0.6
271.05856	0.3
273.07584	1.7
273.10516	0.3
277.07126	0.5
289.07086	0.9
299.09351	0.5
301.07092	1.3
311.09091	9.8
312.09451	0.6
319.08133	1.9
323.09116	2.5
325.10724	0.7
335.08951	0.4
336.75220	0.2
337.10110	0.2
339.08582	0.3
341.10181	17.1
342.10504	1.4
351.08490	0.3
351.12216	0.8
353.10074	0.6
353.23813	0.2
365.10162	6.1
366.10483	0.8
371.11230	1.2
377.10007	0.2
379.11838	1.0
383.11407	0.4
389.10211	0.2
395.11249	7.9
396.11554	0.5
398.66183	0.3
401.15414	0.2
407.11197	4.0
408.11578	0.4
425.12253	10.3
426.12506	1.1
443.13336	18.2
444.13702	1.4
461.14398	20.5
462.14798	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.144
Annotation	8-Hydroxy-4',7-dimethoxyisoflavone 8-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
53.03935	0.1
58.17174	0.1
64.21184	0.1
64.21507	0.1
67.05492	0.2
69.03418	0.2
69.13298	1.0
79.05495	0.3
81.03429	0.3
81.07029	0.1
83.01351	0.4
85.02880	0.1
89.43782	0.1
91.05481	0.4
93.07004	0.3
95.04973	0.1
95.08607	0.2
99.28493	0.1
105.06988	0.3
107.04967	0.2
107.08618	0.2
109.02869	0.2
109.06440	0.1
109.10149	0.1
119.04939	1.6
119.08517	0.1
121.02869	0.5
121.10142	0.1
123.11864	0.1
133.10092	0.2
135.04437	0.2
137.05956	0.2
145.02850	0.4
145.10199	0.1
147.04424	0.1
147.11758	0.1
149.02277	0.1
151.03934	0.1
151.07533	0.1
161.13234	0.1
163.03860	0.2
167.14395	0.2
175.03952	0.3
177.05594	0.1
179.03378	0.7
181.04951	3.7
182.05305	0.1
196.82913	0.1
201.92184	0.1
215.58141	0.1
219.17438	0.3
243.06827	0.2
253.08536	0.2
271.09445	0.1
283.05914	0.2
284.06714	0.6
297.07581	1.8
298.08151	0.3
299.09119	100.0
300.09457	5.5
371.09723	0.1
443.13181	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1444
Annotation	8-Hydroxy-4',7-dimethoxyisoflavone 8-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
53.03942	1.5
55.01863	0.5
55.05493	0.3
57.03424	0.7
65.03936	0.7
67.01842	0.2
67.05488	0.2
68.57950	0.2
69.03065	0.3
69.03431	4.2
70.47675	0.5
71.04974	0.6
73.02906	0.3
79.05495	0.4
81.03415	13.0
81.07050	0.4
82.03748	0.2
83.04970	0.2
85.02901	3.4
91.05480	3.5
92.05782	0.2
93.03409	2.6
93.07040	0.5
95.04961	0.3
95.08602	0.4
97.02887	0.6
99.04453	1.3
103.05460	2.2
105.07024	0.8
107.04958	0.4
107.08600	0.2
109.02879	4.8
109.06515	0.2
109.10158	0.4
115.05475	0.2
119.04942	2.3
119.08553	0.4
121.02850	0.3
121.06511	0.8
121.10181	0.2
122.03651	0.3
123.04411	0.4
127.03910	1.4
131.04918	1.4
131.08640	0.2
134.45909	0.2
135.04408	0.4
137.02354	0.3
137.05974	4.0
139.03903	0.5
145.04945	0.3
145.06444	0.2
147.04411	2.7
148.05196	0.3
149.02333	6.2
149.05956	1.1
151.03906	0.5
155.08545	0.7
160.95360	0.2
161.05977	0.4
163.03905	0.7
163.07535	0.5
164.08315	1.1
165.04085	0.3
165.05510	6.9
165.06987	1.3
165.09117	0.3
166.05847	0.2
168.05652	0.3
169.06450	0.3
175.03868	15.3
176.04303	0.3
179.03354	0.3
181.04947	1.6
181.06415	0.3
182.07291	0.8
183.08046	1.1
185.05965	0.2
187.07437	0.2
193.04874	0.5
193.06522	0.5
194.07251	0.3
195.08038	0.3
196.05116	0.2
197.05908	0.3
199.07640	0.2
200.08279	0.3
210.06740	1.6
211.07541	1.7
213.05562	0.5
215.14064	0.2
221.05995	1.0
225.09073	2.0
227.07074	0.3
228.07790	0.5
237.05463	0.2
238.06294	0.6
239.07034	1.0
241.04868	0.5
243.10165	0.3
245.15178	0.2
251.07065	0.2
253.08574	1.0
255.06438	0.4
256.07324	1.4
257.07965	0.2
267.06451	0.4
269.04550	0.2
271.09705	0.3
281.08035	0.5
283.06006	0.2
284.06723	1.7
288.06384	0.4
297.07581	0.7
299.09125	100.0
300.09445	6.5
317.10196	2.3
357.49142	0.2
401.12128	0.4
443.13376	15.0
444.13745	1.2
461.14441	2.8
462.14957	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1444
Annotation	8-Hydroxy-4',7-dimethoxyisoflavone 8-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
50.72072	0.2
53.03955	0.3
55.01861	0.4
55.05502	0.9
57.03431	0.4
57.07084	0.2
57.88326	0.2
65.03925	0.3
67.05506	1.5
69.03430	0.9
69.07066	0.6
69.24148	0.2
70.46701	0.7
71.04987	0.7
79.05503	1.5
81.03415	2.2
81.07056	2.2
83.04974	0.6
83.08601	0.5
85.02902	2.1
85.06545	0.3
91.05470	2.0
93.03393	0.2
93.07050	1.9
95.04969	0.7
95.08610	2.0
97.02885	0.6
97.06527	0.3
99.04434	0.4
103.05474	0.8
105.07034	1.8
107.04947	0.6
107.08584	1.5
109.02884	1.0
109.10166	0.7
111.04462	0.4
111.08058	0.3
117.07021	0.8
119.04947	0.6
119.08572	1.2
121.06522	0.7
121.10146	0.8
123.08009	0.3
123.11716	0.3
125.09662	0.3
129.06979	0.7
131.04918	0.8
131.08556	1.0
133.06477	1.2
133.10100	1.0
135.04391	0.6
135.08034	0.5
135.11684	0.5
137.05983	1.6
137.09592	0.3
139.03946	0.2
140.83040	0.2
141.07024	0.2
143.08585	0.6
145.06500	0.6
145.10172	1.0
147.04413	0.5
147.08075	0.3
147.11700	0.8
149.02367	0.6
149.05977	0.2
149.09634	0.5
149.13258	0.4
151.03937	0.3
151.07567	1.1
153.05539	0.3
153.07040	0.2
155.08578	0.5
157.06461	0.2
157.10127	0.8
159.11714	0.9
161.06039	0.4
161.13307	0.3
163.07524	0.5
165.05479	1.0
165.06897	0.4
165.09172	0.4
165.12914	0.2
167.03435	1.2
169.10153	0.7
171.08130	0.2
171.11665	0.4
173.09659	0.4
173.13245	0.4
175.03891	2.0
175.04942	0.2
175.07504	0.4
177.09084	0.3
177.12721	0.2
179.03409	0.3
183.11615	0.3
187.14783	0.3
189.16490	0.3
191.10736	0.4
195.08136	0.2
199.14799	0.3
201.05554	0.2
201.12833	0.2
205.16008	0.2
211.07578	0.3
225.09129	0.3
235.07675	0.2
244.07143	0.2
256.07309	16.5
257.07700	0.7
278.30154	0.3
284.06778	10.2
285.07037	0.6
297.07599	0.3
299.09134	100.0
300.09460	5.7
311.09152	2.2
312.09677	0.3
314.07797	0.2
315.08621	3.4
316.09103	0.3
317.10086	0.3
325.07153	0.2
325.10638	0.3
329.09772	0.2
337.14337	0.6
351.23260	0.3
369.24091	0.6
387.24997	0.3
443.13513	1.7
461.14105	1.2
461.29184	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.6
57.39110	0.3
67.05483	0.4
69.07059	0.5
69.28693	1.0
69.29102	2.0
81.07044	0.7
91.05509	0.6
95.08614	0.4
96.09001	0.3
100.11240	1.2
105.07037	0.6
109.10141	0.5
111.04423	0.4
119.08583	0.4
123.04440	0.4
127.05098	0.4
133.06505	0.8
137.06017	0.7
137.09650	0.5
151.07520	2.1
158.59598	0.4
165.09120	3.6
167.03365	1.0
170.15395	0.6
177.09132	0.7
191.03142	0.5
191.10620	0.7
205.12271	0.8
209.16368	0.3
256.07288	16.3
257.07648	0.7
284.06766	10.2
285.07101	0.7
299.09113	100.0
300.09448	7.0
461.15356	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1625
Annotation	N-(2-phenylethyl)-Indomethacin amide
Peak:m/z	Relative Intensity
52.62648	0.4
54.18728	0.4
59.87162	0.5
64.08915	0.4
69.33852	2.8
70.06582	1.0
73.04751	1.4
78.15980	0.5
84.03263	0.3
85.02911	0.6
91.05788	2.7
92.71941	0.4
97.02828	0.5
98.22632	0.8
119.58517	0.4
129.05573	0.5
139.03879	0.8
143.03384	0.5
153.01837	4.2
153.05301	0.5
154.02214	0.5
167.05591	0.9
185.04184	0.5
225.04369	0.6
271.11960	0.4
315.10474	18.3
316.10812	0.7
331.10052	0.7
359.02863	1.8
422.93802	0.5
429.09091	0.7
459.55673	0.4
461.16272	100.0
462.16711	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	461.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
62.65285	0.3
63.50082	0.3
65.14574	0.3
69.09613	3.3
75.79967	0.3
107.04921	0.7
108.89822	0.3
137.05933	0.5
147.02000	0.4
151.07542	0.3
167.07024	0.8
167.58426	0.3
185.56995	0.4
189.05190	2.5
203.06802	0.6
204.56198	0.3
205.04823	0.4
219.06276	6.1
220.06775	0.4
230.09116	0.7
231.06310	0.5
233.07857	0.5
234.08612	35.4
235.09200	2.9
247.09459	0.5
249.07388	0.7
308.48026	0.3
339.02109	0.4
399.19626	0.6
401.17474	0.5
413.15637	1.4
421.27527	0.4
431.16608	0.6
461.17776	100.0
462.18170	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	461.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03421	0.5
69.41814	2.2
79.82371	0.4
81.03422	1.1
98.22713	0.5
107.04932	0.5
121.02905	0.3
122.52395	0.3
135.04405	0.4
137.06015	0.4
149.05991	0.9
151.03931	1.0
153.01892	0.4
189.05191	2.5
205.04774	0.7
205.08514	0.5
219.06264	5.2
232.30234	0.4
234.08617	34.7
235.09242	3.1
247.09412	0.9
249.07130	0.6
299.09079	3.5
318.44550	0.4
368.17459	0.4
413.15561	1.1
431.16629	1.0
443.13226	0.5
446.15164	0.5
461.17804	100.0
462.18231	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	461.178
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	1.0
67.09842	0.5
68.99777	1.1
69.09074	5.3
71.06316	0.5
72.30034	0.5
74.52426	0.5
77.03928	0.5
79.05493	1.0
81.03410	0.8
91.05463	4.1
95.04982	1.2
103.05479	1.2
105.07014	0.6
106.25665	0.5
107.04990	3.1
110.08784	0.6
115.05459	1.1
117.07016	1.0
119.04950	2.2
123.04428	24.5
127.60069	0.6
128.06229	1.7
129.06999	2.7
131.04945	1.2
131.08588	0.8
133.06488	0.7
137.02344	2.8
137.05946	6.7
141.06973	0.6
143.04956	0.9
143.08569	0.9
145.02835	1.1
145.06371	0.7
147.04396	5.3
149.05983	1.3
151.07565	2.5
153.06981	1.6
157.06540	2.7
161.06006	2.4
163.03882	2.7
163.07614	1.4
165.05431	0.7
165.06996	0.8
169.06537	1.0
171.08072	1.5
173.06020	2.4
175.07631	1.1
176.04604	0.9
177.05344	1.5
177.09166	1.3
179.07106	1.7
181.06433	1.3
183.08113	0.6
185.06039	1.3
187.07584	2.1
189.05280	1.4
189.09097	1.0
197.06146	0.8
199.07571	2.3
199.38872	0.6
203.06987	1.5
205.04710	50.8
206.05196	1.5
211.07516	1.6
213.05380	0.7
215.07010	1.2
216.07596	0.6
217.08604	2.5
229.08653	0.8
231.06548	2.2
233.07936	1.7
234.08638	0.7
239.07179	0.8
241.08542	1.2
250.08105	9.5
251.08968	3.2
255.06476	0.7
257.08102	1.9
263.06985	0.9
265.08459	0.7
267.06625	0.8
268.07181	0.9
281.08258	0.8
283.09781	2.1
285.07642	2.8
293.08173	1.7
299.09210	1.0
307.09698	1.1
309.11249	0.8
325.10910	1.4
333.11148	0.9
339.12180	0.9
351.12149	3.6
378.10309	0.5
403.11673	1.6
443.15112	1.4
461.17764	100.0
462.18164	8.9
471.94781	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1781
Annotation	Eruberin A
Peak:m/z	Relative Intensity
69.03421	0.5
69.41814	2.2
79.82371	0.4
81.03422	1.1
98.22713	0.5
107.04932	0.5
121.02905	0.3
122.52395	0.3
135.04405	0.4
137.06015	0.4
149.05991	0.9
151.03931	1.0
153.01892	0.4
189.05191	2.5
205.04774	0.7
205.08514	0.5
219.06264	5.2
232.30234	0.4
234.08617	34.7
235.09242	3.1
247.09412	0.9
249.07130	0.6
299.09079	3.5
318.44550	0.4
368.17459	0.4
413.15561	1.1
431.16629	1.0
443.13226	0.5
446.15164	0.5
461.17804	100.0
462.18231	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	461.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.4
55.01875	5.0
55.05508	0.5
57.03440	3.3
59.04995	0.4
61.02930	5.7
65.03936	1.2
67.01852	0.7
67.05489	0.5
69.03428	16.5
69.76839	0.3
71.01346	0.4
71.04977	1.5
73.02905	1.7
79.05489	5.8
81.03415	6.3
81.07060	0.4
83.01343	0.8
83.66447	0.3
85.02905	35.8
86.03214	0.5
87.04475	1.2
89.03889	0.5
91.03954	1.7
91.05478	4.8
93.03391	1.4
93.07033	0.7
95.04963	1.7
95.08614	0.4
97.02888	12.4
98.23405	0.9
99.04454	1.6
100.79749	0.4
101.06022	0.6
102.83822	0.4
103.05476	4.2
105.04534	0.6
105.07028	17.0
106.07349	0.4
107.04945	3.1
108.05758	0.6
109.02876	4.4
109.06535	0.8
111.04500	0.5
115.05457	18.0
116.05780	0.5
117.07040	0.8
119.04950	0.7
119.08575	0.4
121.02764	0.4
121.06493	1.2
122.03684	0.4
123.04430	0.7
127.03917	6.2
129.07010	0.9
131.04938	1.2
133.06487	11.3
135.04385	1.4
135.08034	1.1
135.82837	0.4
136.05194	4.3
137.05988	5.4
138.06723	1.0
138.72884	0.3
141.06944	0.3
143.04933	3.5
144.05653	0.6
145.04956	5.3
145.06186	0.6
145.06418	0.5
145.10034	0.5
147.04410	0.6
147.07983	0.5
149.02333	0.6
149.06003	1.7
151.03961	0.6
151.07541	23.0
152.07889	0.5
157.06462	1.0
159.93518	0.4
160.05180	0.9
161.05972	63.0
162.06340	2.4
163.07542	0.7
164.08368	1.7
165.05487	11.9
165.06810	0.6
166.05835	0.5
167.08533	0.8
173.05930	0.4
175.03925	0.6
175.07552	3.5
177.06970	0.4
178.07724	1.8
179.08559	1.4
181.06491	1.1
182.07243	0.5
183.08037	0.7
187.07571	0.8
188.08365	1.0
189.07082	0.5
189.09073	0.7
191.06665	0.4
191.08533	0.6
192.09344	0.4
193.04921	0.4
193.10114	2.2
195.08049	3.1
196.08760	1.1
197.06009	0.5
197.09586	0.9
198.06743	0.5
199.07529	0.5
201.09152	0.4
205.06454	0.6
206.07353	1.6
207.08049	2.0
208.08772	0.6
209.06012	0.5
209.09595	1.5
210.06877	0.6
210.10425	1.3
211.07610	1.6
211.11095	1.2
212.08244	0.5
212.11783	0.3
213.09062	2.9
219.08011	0.8
219.17334	0.4
220.08813	0.8
221.09596	4.3
222.10320	2.8
223.07513	3.5
223.11047	0.6
224.08418	1.8
225.05540	0.3
225.09149	2.8
226.06268	0.5
226.09892	0.4
227.06970	0.7
227.10670	1.3
229.12102	0.5
234.06830	1.0
235.07521	4.3
236.08159	0.8
237.09167	2.4
238.09894	3.9
239.10698	2.7
240.07501	0.4
240.11494	2.0
241.08565	2.1
242.09497	0.8
243.13806	0.4
248.08388	0.4
249.09114	11.7
250.09790	4.5
251.07091	1.6
251.10536	1.0
252.07886	1.7
253.08606	2.5
253.12242	7.7
254.09357	0.4
254.12517	0.5
255.06506	0.9
256.10751	0.7
257.11658	0.5
265.08524	1.0
266.09354	3.7
267.10129	3.8
268.10956	7.8
269.08109	2.2
269.11414	1.0
270.08823	1.4
271.10110	0.6
271.13284	3.7
272.13483	0.4
281.11725	24.9
282.12024	1.5
284.10422	6.1
296.34961	0.3
299.12750	100.0
300.13095	6.8
373.67990	0.4
443.13055	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40443	0.2
55.01866	0.4
55.05497	0.8
57.03443	0.3
57.07056	0.4
59.04990	1.1
67.05507	1.6
68.99784	0.4
69.03431	0.8
69.07057	1.4
69.26961	2.0
69.63816	0.3
71.04993	2.3
78.77700	0.2
79.05492	1.0
79.67322	0.2
80.96852	0.2
81.03422	0.4
81.07047	1.3
83.01345	1.1
83.04975	0.8
83.08617	0.6
85.02872	0.4
85.06554	0.6
87.04463	2.0
91.05481	0.8
93.07050	1.4
95.04961	0.9
95.08608	2.9
97.06531	2.7
97.10175	0.4
98.22504	0.5
99.04480	0.4
99.57155	0.2
105.07016	0.8
107.04941	0.6
107.08599	1.5
109.06529	0.6
109.10165	2.3
111.08100	0.4
113.05996	1.5
113.09656	0.5
115.05417	0.2
117.07019	0.9
117.54012	0.2
119.08574	1.3
120.08811	0.2
121.06505	1.0
121.10144	2.6
123.04414	0.3
123.08070	1.7
123.11670	0.8
125.05996	0.4
127.03906	5.1
127.04748	0.4
131.08614	0.4
133.10100	0.7
134.26724	0.2
135.04379	0.6
135.08014	1.5
135.11716	0.4
136.15744	0.2
137.05988	0.7
137.09608	7.1
139.03899	1.3
139.07549	0.4
139.11172	3.8
141.09085	0.8
145.06531	0.6
149.05995	0.4
149.09596	1.5
149.13239	0.6
150.10399	0.9
151.11140	0.3
153.05482	1.5
155.03381	16.2
155.10651	1.4
156.03725	0.5
159.08061	0.6
161.09608	0.7
163.03900	3.2
163.07553	1.6
165.05469	0.7
165.09106	1.9
167.03392	1.2
167.07143	0.3
167.10687	1.9
169.04967	1.5
169.08730	0.3
173.06013	0.8
173.09692	0.3
173.13274	0.9
175.07581	0.9
177.05479	0.8
177.09109	1.0
179.07030	0.3
179.10677	0.3
180.04137	0.3
181.05023	1.5
181.08624	1.7
183.10167	12.0
187.07591	0.8
189.09106	0.5
189.12735	0.3
191.07025	29.1
191.14368	0.8
192.07437	0.7
193.04985	0.4
193.08635	0.9
193.12314	0.4
194.05794	0.6
195.02921	1.2
195.06540	0.2
195.10164	0.4
195.13902	0.4
197.08128	0.6
203.07066	0.5
205.04967	0.4
205.08595	2.6
207.06525	2.1
207.10040	0.4
207.13817	0.5
208.07304	5.4
209.04506	4.0
209.08086	11.4
209.15395	1.7
210.08632	0.4
211.09682	0.9
217.08505	0.4
219.10089	0.4
219.13734	0.5
220.07300	0.4
221.08031	1.9
222.08817	0.3
223.09634	13.4
224.09976	0.4
225.11200	1.9
228.57634	0.2
233.08102	2.0
234.08728	0.7
235.09674	1.6
235.13281	1.2
236.82561	0.2
237.14839	11.5
238.15056	0.4
247.13409	0.3
249.14888	0.5
249.66357	0.3
251.09146	7.3
257.11649	0.4
261.07700	1.2
261.11169	0.6
275.12808	2.4
277.14349	2.9
279.08578	0.5
285.11194	0.3
303.12335	1.7
331.11703	0.5
342.06802	0.3
345.16965	0.9
347.18481	0.8
353.51794	0.3
373.16458	1.4
391.17484	100.0
392.17810	7.1
392.22791	0.5
443.24228	0.7
444.85297	0.3
461.21667	2.2
462.21814	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.7
55.05511	2.1
57.07069	3.0
59.04997	2.2
67.05502	3.9
68.99783	0.8
69.03425	1.6
69.07081	3.2
70.31591	0.7
70.91827	0.7
71.04989	3.3
71.31709	1.1
79.05486	2.6
81.07058	3.3
83.01338	1.6
83.04974	1.7
83.08653	1.2
85.06533	1.4
87.04471	2.1
91.05484	2.5
93.07034	3.0
95.04950	1.4
95.08613	5.3
97.06551	3.1
97.10175	1.2
105.07031	2.2
107.04976	2.3
107.08591	2.8
109.06539	1.2
109.10189	3.3
111.04480	0.9
111.08089	1.0
113.05975	2.4
113.09650	0.8
117.07045	1.3
119.08585	1.6
121.06511	2.1
121.10165	5.0
123.04441	1.1
123.08031	1.5
123.11739	1.9
125.06016	1.3
127.03913	5.8
131.08549	1.3
133.10088	1.0
135.04442	0.7
135.08058	2.9
135.11703	1.3
137.05969	2.2
137.09610	12.0
139.03918	3.2
139.07486	1.1
139.11177	5.2
145.06526	1.2
145.10110	0.8
147.11673	1.0
149.05997	0.9
149.09627	2.8
150.10413	1.6
151.07497	0.8
151.11234	1.1
153.05464	2.2
155.03383	18.1
155.10686	1.5
163.03886	5.2
163.07555	2.3
165.05499	1.2
165.09088	2.6
167.03406	1.4
167.10739	2.2
169.04988	3.8
173.13266	0.8
177.05579	0.9
177.09154	2.2
177.12680	0.8
179.10695	0.7
181.04985	1.8
181.08656	1.9
183.10191	13.3
183.11711	0.8
185.04552	0.8
187.07492	1.3
189.09154	0.7
191.07031	32.2
191.14322	1.0
192.07372	1.0
193.08646	2.9
193.12196	0.9
195.02930	1.4
195.06520	1.7
205.08621	2.6
205.16882	0.6
207.06502	3.6
207.10167	1.9
208.07306	6.4
209.04497	4.5
209.08051	13.4
209.15379	2.8
210.08704	1.0
211.09634	4.0
219.13820	0.9
221.08180	1.0
223.09634	14.0
225.11211	8.3
233.08015	2.6
233.11722	0.8
235.09781	1.1
235.13338	1.9
237.14842	12.5
251.09171	8.4
259.13248	0.8
261.07623	1.5
275.12784	3.7
277.14340	2.9
279.08701	0.8
285.11227	1.6
300.76736	0.7
303.12271	1.8
321.13168	1.3
329.18402	0.8
345.17017	1.0
347.18433	1.1
355.15140	0.9
373.16498	2.9
391.17496	100.0
392.17764	8.0
443.24878	1.4
461.21683	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61299	0.2
54.97443	0.2
55.01863	0.4
55.05502	1.3
57.03441	0.3
57.07070	0.9
58.54131	0.3
59.05000	1.6
65.03947	0.4
67.05502	2.8
68.99797	0.3
69.03432	1.1
69.07065	2.1
71.04987	3.0
71.08623	0.5
79.05490	1.6
81.03426	0.4
81.07056	3.1
83.01350	1.6
83.04991	0.9
83.08625	0.7
85.06535	0.9
87.04459	1.9
91.05477	1.4
93.07045	2.3
95.04975	1.4
95.08603	4.2
97.06527	2.2
97.10178	0.7
99.04456	0.6
105.07034	1.3
107.04948	0.8
107.08585	1.9
109.06505	0.8
109.10153	2.6
111.04451	0.5
111.08076	0.8
111.11766	0.3
113.05997	1.9
113.09655	0.9
117.07027	0.7
119.08559	1.4
121.06492	1.5
121.10131	3.9
123.04435	0.9
123.08073	1.8
123.11711	0.8
125.02378	0.4
125.09599	0.7
127.03912	6.7
129.07014	0.3
131.08557	0.5
133.10110	1.0
135.04402	0.5
135.08049	2.0
135.11678	0.6
137.06018	1.3
137.09613	9.4
137.10674	0.6
138.10002	0.4
139.03900	1.9
139.07530	0.7
139.11174	4.4
141.01871	0.3
141.05461	0.3
141.09106	1.2
143.08507	0.3
145.06461	0.5
145.10112	0.8
147.08018	0.4
147.11647	0.6
149.06029	0.7
149.09653	2.1
149.13257	0.8
150.10397	1.0
151.07498	0.4
151.11182	0.5
153.05482	1.7
155.03387	17.3
155.10674	1.5
156.03769	0.4
159.08058	0.7
159.11736	0.4
161.09639	0.8
163.03905	3.5
163.07564	2.5
163.11229	0.3
165.05450	1.1
165.09096	2.8
167.03395	1.3
167.07092	0.7
167.10680	2.4
169.04922	1.7
169.08708	0.3
169.24231	0.2
173.06009	0.8
173.13249	0.7
175.07565	0.8
175.11214	0.5
175.14853	0.3
177.05479	0.6
177.09131	1.2
179.03415	0.3
179.07048	0.5
179.10657	0.6
181.04909	2.2
181.08598	1.8
183.10170	14.5
184.10519	0.5
185.04437	0.4
187.07559	1.2
189.09148	0.6
189.12669	0.3
191.07024	32.3
191.14357	0.9
192.07297	1.4
193.04961	0.4
193.08632	1.0
193.12257	0.7
194.05768	1.0
195.02846	1.3
195.10178	0.5
195.13785	0.4
197.07907	0.4
201.12793	0.3
203.07031	0.6
205.05246	0.4
205.08598	3.6
207.06500	2.8
207.13811	0.4
208.07312	6.7
208.09210	0.4
209.02541	0.2
209.04506	5.2
209.08081	13.1
209.15327	1.6
210.08423	0.5
211.09563	1.3
215.07089	0.3
217.08611	0.7
219.13774	0.7
221.08069	1.6
221.15460	0.4
222.08788	0.6
223.09644	14.9
224.10027	0.7
225.07607	0.6
225.11191	2.5
229.12219	0.4
229.19235	0.3
233.08060	2.3
233.11610	0.4
234.08914	0.5
235.09534	1.4
235.13174	1.4
237.07744	0.3
237.14850	12.1
238.15230	0.7
247.13245	0.4
249.07674	0.3
249.14972	0.7
251.09132	7.1
251.11617	0.5
257.11746	0.8
261.07520	1.5
261.11334	0.5
275.12830	2.8
276.13599	0.3
277.14340	2.4
279.08533	0.7
285.11197	0.7
293.13690	0.4
303.12271	1.5
329.17563	0.4
331.11761	0.6
335.18442	0.4
345.16968	1.3
347.18341	0.7
373.16403	1.4
375.17892	0.4
391.17487	100.0
392.17825	6.8
443.24698	0.4
461.21594	4.0
461.27081	0.2
462.22137	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42732	0.7
55.05495	2.1
55.67623	0.7
57.07066	5.2
58.30188	0.7
67.05498	5.0
69.03422	1.6
69.07053	3.3
69.18316	6.6
71.04986	0.9
71.67333	0.7
79.05475	3.3
81.07049	5.3
83.01329	3.3
83.04984	1.2
83.08589	1.1
85.06544	7.7
91.05453	2.6
93.07026	4.3
95.04955	2.8
95.08577	4.0
96.09948	0.8
96.39546	0.7
97.06497	1.8
98.11829	0.7
100.33103	0.9
105.07030	3.9
107.04904	1.2
107.08569	5.2
109.06519	3.9
109.10130	2.8
111.08081	1.5
113.05984	7.7
119.08562	2.6
120.08868	0.9
121.10119	6.9
123.04380	1.8
123.08061	2.3
123.11747	1.7
125.09583	1.9
127.07529	2.6
129.06989	0.8
131.08534	0.9
133.10107	2.4
135.11664	2.1
137.05966	17.9
137.09544	1.5
139.07512	0.8
139.11127	3.9
141.04442	0.7
141.05405	3.8
145.10107	1.2
147.04335	1.1
147.08018	0.9
149.09595	2.2
149.13237	1.3
150.10332	1.0
151.07506	2.7
153.05450	7.3
157.10097	0.7
161.09666	1.1
161.13362	0.8
165.05464	11.6
165.09082	8.1
167.03400	1.2
167.07053	0.8
167.10674	1.9
169.04950	31.9
170.05249	1.3
173.13277	1.1
175.07541	3.4
177.09093	0.8
178.06229	1.8
179.06973	1.3
179.10658	3.4
183.06477	2.0
189.09077	1.2
191.14316	1.8
192.07710	0.9
193.08597	23.2
193.10344	1.1
194.08881	1.1
195.10185	1.3
205.08644	0.9
207.10161	10.6
209.15279	0.9
211.09642	39.4
212.09990	2.2
225.11197	100.0
226.11516	5.2
237.14851	9.3
251.16417	4.6
279.15857	1.8
329.13614	1.2
329.39960	0.7
352.58649	0.8
415.24957	0.8
443.24249	22.5
443.33472	1.0
444.24530	2.4
461.29181	1.7
461.35764	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48323	0.8
57.07074	2.6
63.54510	0.6
67.05510	4.0
69.03436	0.5
69.07078	1.0
70.28806	2.0
71.04975	0.7
81.07043	1.4
83.01338	2.1
85.06534	6.8
88.47243	0.6
91.05452	1.2
93.07028	2.1
95.04975	1.4
95.08588	0.9
97.06535	1.5
98.22758	0.6
105.06999	1.0
107.08601	1.6
108.59428	0.6
109.06504	1.9
109.10129	0.7
111.08084	0.6
113.06009	6.6
115.67862	0.5
119.08569	0.9
121.10137	3.6
123.04439	0.9
123.08063	2.0
123.11737	0.7
125.06004	1.0
125.09631	1.2
127.07533	1.8
133.10097	0.9
135.11684	1.0
137.00063	0.6
137.05972	10.8
137.09550	0.8
139.11168	3.4
141.05463	2.1
143.08522	0.7
147.08052	1.0
149.09639	1.6
150.10432	0.7
151.07521	1.9
151.11061	0.6
153.05487	4.0
161.09543	0.6
163.07539	0.8
165.05457	7.5
165.09113	11.1
166.09503	0.6
167.03433	0.7
167.06987	0.7
167.10689	2.2
169.04959	21.8
169.06436	1.0
169.08698	0.7
175.07564	4.2
177.09163	0.9
178.06224	1.8
179.07013	0.9
179.10683	2.6
183.06544	1.3
189.09100	1.3
193.08597	32.5
207.10141	12.7
208.10474	0.7
209.15318	0.8
211.09647	61.8
212.09964	2.4
225.11205	100.0
226.11514	4.7
237.14865	8.2
251.16411	5.3
279.16028	0.9
295.13330	0.7
315.12204	0.9
329.13596	0.6
387.17908	0.8
415.24783	1.1
443.24289	26.1
444.24622	3.0
460.04388	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.9
55.01868	4.5
55.05508	8.8
57.03431	1.8
57.07069	2.0
61.91101	1.1
65.03942	1.5
67.05501	14.4
68.05811	1.5
68.99820	1.5
69.03425	6.3
69.07086	9.5
71.04990	12.5
79.05491	15.9
81.03418	3.6
81.07054	19.7
82.07401	1.6
83.01334	2.8
83.04979	6.2
83.08611	4.8
85.06540	3.5
85.95627	1.1
91.05476	20.0
93.07037	21.3
95.04953	9.5
95.08599	21.1
97.02897	1.2
97.06537	6.0
97.10166	2.6
98.22594	2.2
99.04461	2.4
99.08083	1.8
103.05471	1.5
105.07028	23.5
107.04959	3.8
107.08593	47.1
108.08974	1.1
109.06505	6.9
109.10145	12.7
110.10458	3.0
111.04448	1.2
111.08099	3.3
113.06011	11.2
115.05483	1.4
117.07000	7.0
118.03050	1.1
119.04954	1.8
119.08578	24.3
120.08909	1.1
121.06530	8.4
121.10130	23.1
122.10472	1.1
123.04430	2.8
123.08067	5.2
123.11726	6.9
125.09621	5.1
127.11208	2.3
128.06207	2.6
129.07004	4.2
131.04961	1.9
131.08571	12.5
133.06432	2.4
133.10126	12.4
135.04431	3.8
135.08066	6.8
135.11668	16.3
136.12035	1.7
137.05966	5.3
137.09621	4.5
137.13179	1.5
139.07529	3.0
139.11197	2.8
142.07758	3.2
143.08551	5.5
144.09404	1.9
145.06474	2.4
145.10127	10.8
147.08057	3.9
147.11696	7.5
149.05983	7.7
149.09598	3.1
149.13264	5.0
151.07538	3.8
153.05490	2.5
155.07082	1.2
155.08528	1.8
156.09352	3.2
157.04991	1.6
157.10127	9.9
158.07277	1.5
159.08099	5.3
159.11679	13.9
161.05890	1.9
161.09641	4.5
161.13264	5.6
163.07523	4.5
163.11166	3.3
163.14818	3.0
165.05482	1.5
165.09117	3.1
165.12778	1.5
167.07040	1.4
167.08578	1.6
167.10658	1.4
169.10121	3.0
171.07962	1.8
171.11632	5.9
173.09618	5.0
173.13237	9.9
175.07565	2.8
175.11192	4.9
175.14806	9.8
177.05423	1.3
177.09142	3.4
177.12766	8.6
179.07085	2.4
179.10513	1.1
181.08569	1.7
181.10052	1.9
183.08025	1.4
183.11678	2.0
185.09660	1.5
185.13275	3.2
187.07538	2.2
187.11180	5.8
187.14795	3.1
189.09097	3.5
189.12816	1.9
189.16348	2.9
191.06984	10.3
191.10609	2.0
191.14333	2.3
191.17921	1.6
193.08620	3.6
193.10255	1.3
193.12276	3.3
195.11937	2.2
195.13799	9.6
197.09587	2.9
197.13264	1.7
199.11122	2.4
199.14842	5.3
201.09137	3.1
201.16393	3.3
203.07074	1.7
203.10658	1.9
205.08574	8.8
205.12312	1.4
205.15883	1.7
207.06538	2.3
207.17413	1.4
209.08089	32.0
209.10046	1.9
210.08443	2.0
211.09567	2.4
213.09120	1.4
213.12712	2.4
213.16374	1.5
215.07129	1.3
215.10706	6.3
215.14343	5.0
215.17870	2.1
217.08588	1.7
217.12312	1.4
217.15878	14.9
219.06567	1.2
219.10182	3.2
219.17415	2.6
221.08087	3.9
221.11649	2.0
223.09679	5.1
225.16289	1.7
227.14328	1.6
229.12286	2.3
231.13864	2.4
233.08058	8.5
233.11697	4.3
233.15401	2.7
235.16940	12.5
239.14378	1.5
241.15950	1.2
243.10158	12.4
243.17336	1.9
247.13426	1.4
249.11250	2.1
257.11804	2.9
259.13318	3.6
261.11206	13.7
262.11520	1.6
267.17493	2.1
269.15250	1.4
271.13345	2.4
273.14832	1.9
275.12778	4.3
279.12225	1.8
281.15216	1.2
285.11539	1.7
285.15015	2.1
285.18527	3.0
289.10858	1.3
289.14090	1.9
291.15887	4.9
299.12720	1.8
303.12247	4.9
309.18564	2.2
313.17990	1.5
317.13815	2.3
319.15271	2.0
323.16507	1.5
323.23801	1.2
337.17828	1.7
337.21561	3.5
351.23138	2.3
355.18930	2.9
355.22705	15.9
365.21091	4.2
367.19208	1.5
369.24179	2.4
373.16101	5.4
373.20471	2.1
379.22498	5.9
383.22128	7.2
384.22470	1.8
397.23605	16.7
398.24072	1.9
401.23083	3.0
407.22095	7.6
407.32852	2.1
415.24753	100.0
416.25186	9.2
417.22726	4.6
425.23230	17.2
425.34189	3.2
426.23425	3.5
443.24207	25.8
443.35083	4.2
444.24716	2.9
461.24686	14.4
461.36728	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	461.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48309	0.8
55.05483	0.9
55.49482	0.7
57.07076	3.9
59.05010	1.3
60.17937	0.7
65.03955	1.4
67.05508	6.0
68.99799	1.1
69.03420	1.6
69.07059	1.3
71.05002	1.4
79.05490	2.0
81.07053	3.8
83.01348	6.0
83.01778	0.9
83.04966	1.1
85.06547	10.9
91.05482	2.2
93.07066	2.7
95.04977	3.9
95.08611	2.7
97.06522	2.6
105.07039	2.2
107.08617	3.0
109.06530	4.2
109.10120	1.1
111.08078	1.0
113.06007	12.8
119.08575	1.6
119.28480	0.9
121.10149	6.0
123.04450	3.1
123.08089	2.9
125.06002	1.3
125.09630	2.8
127.07568	3.5
129.07004	0.9
133.10114	1.5
135.08051	1.0
135.11693	1.1
137.05978	23.3
137.09601	2.0
139.07501	0.9
139.11159	4.6
141.05490	4.6
147.07988	2.3
149.09631	2.4
150.06721	1.3
150.10323	0.8
150.65727	0.8
151.07562	4.1
151.11169	1.1
153.05473	8.0
160.05199	0.8
165.05492	10.2
165.07700	0.9
165.09129	17.9
165.10446	1.5
167.03432	2.6
167.07024	1.1
167.10617	3.8
169.04970	35.7
169.08566	1.0
175.07565	8.0
177.09129	1.9
178.06255	3.0
179.07104	1.0
179.10680	3.9
183.06586	2.1
189.09137	1.6
191.14397	1.0
193.08604	37.7
194.08969	1.7
195.10214	1.2
205.08571	1.0
207.10172	15.6
209.15388	1.4
211.09651	62.5
212.10031	1.9
225.11209	100.0
226.11507	4.4
227.65424	0.8
228.90247	1.0
237.11189	0.9
237.14827	8.8
239.53522	0.9
251.16452	5.5
275.12943	0.9
279.15952	1.5
311.08136	0.8
311.12796	1.4
329.13828	1.5
337.21063	0.8
345.48468	0.9
443.24249	26.3
444.24536	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20837	1.4
53.03939	8.0
55.01878	6.9
55.05260	2.1
55.05508	30.8
57.03429	7.6
57.07070	2.1
60.46876	1.4
65.03935	2.9
67.05502	81.1
68.05840	1.9
69.03426	3.8
69.07060	26.0
69.45205	5.1
69.45634	4.6
71.01350	1.5
71.04984	5.8
77.03955	1.6
79.05489	63.8
81.03413	100.0
81.07052	97.8
82.03732	2.1
82.07380	1.7
83.04967	12.8
83.08618	31.2
85.02892	1.5
85.06530	4.5
91.05475	52.4
93.07043	70.2
94.07330	2.3
95.04968	39.2
95.08602	31.8
96.05289	1.7
96.08940	1.4
97.02877	3.0
97.06529	11.5
97.10143	8.6
99.08077	4.9
104.86755	1.7
105.04547	1.9
105.07018	32.9
107.04947	11.2
107.08597	37.6
109.06504	6.6
109.10140	10.6
109.44613	1.2
111.04427	3.1
111.08080	15.0
113.06094	1.3
115.05455	5.0
115.07591	2.6
116.06159	1.5
117.07000	18.4
119.04909	2.1
119.08576	24.4
120.08923	1.7
121.06500	12.4
121.10146	25.6
123.08065	4.7
123.11696	3.4
125.09622	8.5
128.06244	2.1
129.06989	18.7
131.04924	2.0
131.08562	27.9
133.06468	7.0
133.10118	18.2
135.08051	4.9
135.11682	9.2
137.09593	3.9
139.07494	1.5
139.11192	3.6
141.07021	3.0
142.07751	4.3
143.08551	5.3
145.06464	6.4
145.10097	8.5
147.08051	6.4
147.11685	10.5
149.08528	1.5
149.09612	8.9
149.13243	33.5
151.11073	1.5
153.09154	2.6
155.08562	4.9
157.10129	14.7
159.08110	2.1
159.11674	17.0
161.09579	2.1
161.13182	3.7
163.11174	3.8
165.12788	3.5
167.08574	1.9
167.10681	1.6
169.10152	3.9
171.11697	4.5
173.09599	1.6
173.13264	3.0
175.11157	11.2
177.12766	9.2
181.10135	2.1
183.11639	3.7
185.13211	2.4
187.11201	1.5
187.14807	1.8
189.09053	1.7
189.11165	3.1
191.14259	1.5
193.12225	40.7
195.13771	9.0
197.13393	2.8
199.14836	3.5
201.12675	2.1
211.14888	2.0
215.14235	2.4
216.14616	2.6
217.15840	4.2
221.97704	1.8
227.12767	1.8
231.13716	2.5
249.14842	4.4
253.15816	1.9
257.15344	1.5
257.19000	2.5
265.21704	1.7
267.15674	1.7
275.20035	8.9
293.21124	13.0
341.24597	2.7
343.22699	3.0
351.23242	7.8
361.23468	1.6
369.24191	11.3
370.24783	1.6
378.59216	1.5
387.25104	7.1
413.05237	1.3
417.26160	2.3
443.27573	13.5
461.28909	94.5
462.29343	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	461.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	14.8
55.05509	9.0
58.96819	1.2
64.34217	1.4
66.11807	1.4
67.05500	10.2
69.03423	5.5
69.07057	11.4
69.56989	3.2
69.57391	5.5
73.40751	1.6
75.16553	1.5
79.05489	12.5
81.07053	21.2
82.07384	2.1
83.04982	7.0
83.08620	4.1
85.06535	4.2
91.05457	10.1
93.07032	14.3
95.04961	2.6
95.08598	18.4
96.08959	1.7
97.06521	9.1
97.10156	3.8
98.22674	2.8
99.04528	1.6
99.08104	2.5
105.07013	13.7
107.08587	33.2
107.09247	2.6
108.08960	2.3
109.06516	4.6
109.10142	11.1
111.08057	7.3
111.11668	1.9
115.07575	1.6
117.06992	3.1
119.08573	24.3
120.08961	2.0
121.06544	1.8
121.10144	16.3
123.08077	4.3
123.11692	4.6
125.09618	100.0
126.09983	4.5
131.08540	8.3
133.10121	13.0
135.07999	8.1
135.11710	6.4
136.12079	1.4
137.09607	3.0
137.13242	2.8
139.11188	3.6
141.09052	3.1
143.08534	5.7
145.10124	17.6
147.08020	1.4
147.11685	10.6
149.09602	4.9
149.13271	3.7
151.11182	3.5
153.09076	11.6
153.12712	2.9
157.10158	5.2
159.11670	18.4
161.09593	2.2
161.13258	6.8
163.11172	5.2
163.14819	3.4
165.12813	2.3
169.10117	1.7
171.10280	1.7
171.11647	7.6
173.13229	7.5
175.11160	5.3
175.14845	2.3
177.12766	4.8
179.14301	2.4
181.12218	10.5
183.11725	3.6
185.13301	4.6
187.14853	4.4
189.12642	3.2
189.16396	2.4
191.14323	8.4
196.12221	1.6
197.13240	3.7
199.14838	5.5
201.12766	4.5
201.16397	8.7
203.14362	5.4
207.82257	1.5
209.13393	2.4
209.15413	4.3
211.14850	3.4
213.16260	3.0
217.15919	2.5
219.13797	5.3
219.17493	1.8
221.00943	1.4
225.16518	1.8
227.17928	4.4
229.15910	4.2
231.17511	2.7
237.14784	27.0
243.17404	2.6
243.21263	1.7
255.21205	3.4
267.21103	5.1
269.19266	1.8
285.19177	1.6
285.22174	6.0
303.23138	5.3
309.22141	3.0
342.85693	1.5
379.29941	9.6
389.28183	4.0
397.31161	7.0
407.29398	26.3
408.29581	2.4
415.32022	3.6
425.30493	43.9
426.30585	3.8
443.26498	2.3
443.31607	27.9
444.31921	3.0
461.25763	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.5
55.01875	5.5
55.05510	56.5
57.03427	6.2
57.07063	3.7
67.05145	4.0
67.05504	80.4
69.03440	2.8
69.07068	38.9
70.48690	3.1
70.49025	5.1
71.04995	6.6
72.95580	2.4
79.05486	34.5
81.07053	86.0
82.07393	2.4
83.04986	4.1
83.08620	72.9
85.06532	7.3
86.47884	2.7
91.05473	24.7
93.07046	42.7
94.07343	3.4
95.04981	4.8
95.08600	85.4
97.06540	9.3
97.10176	9.0
99.08109	2.9
105.07011	19.2
107.04939	4.3
107.08596	26.0
109.06553	5.3
109.10158	41.6
111.08075	34.5
111.11691	2.6
117.07044	4.1
119.08550	15.5
121.10146	26.6
123.08073	6.4
123.11700	20.3
125.09618	4.0
129.09106	42.2
131.08583	12.8
133.06567	4.3
133.10135	17.8
135.08060	5.5
135.11707	16.1
137.05980	14.3
137.09624	4.4
137.13266	8.8
139.67239	2.4
143.08591	3.6
145.10115	12.9
147.11722	13.6
149.09613	4.5
149.13274	9.1
151.07530	6.0
151.11223	4.3
153.05463	4.9
157.10179	3.5
159.11678	8.7
161.13194	13.8
163.14862	5.2
165.09143	3.2
165.12779	3.7
171.11681	3.3
173.11818	3.3
173.13258	8.7
175.14911	3.7
177.12830	2.9
179.14331	3.1
183.21082	2.4
187.14798	5.3
189.09132	4.5
189.16385	4.0
191.14255	2.6
195.10159	2.6
195.13828	3.0
197.13226	2.7
201.16438	2.9
209.13356	2.9
209.15527	3.0
228.12558	2.6
233.22641	2.5
243.21097	11.0
261.22162	32.1
279.23184	100.0
280.23584	8.9
297.24268	26.1
347.98215	2.7
371.29559	4.9
389.30603	15.0
397.27274	3.0
407.31683	16.2
425.32318	5.7
461.28101	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.9
55.01866	2.8
55.05505	25.8
55.11765	2.0
57.03423	3.7
57.07072	8.8
65.42440	2.1
67.05502	39.3
69.03422	5.4
69.07069	43.9
69.11981	15.3
69.12403	4.5
71.04993	5.7
71.08624	2.5
79.05492	33.9
81.03419	13.1
81.07058	64.8
83.01338	4.3
83.04973	9.9
83.08618	23.2
85.06535	7.5
85.15640	2.1
87.04496	2.5
91.05467	36.8
93.07045	64.5
95.04966	12.5
95.08607	72.1
97.06530	8.7
97.10173	14.4
99.04404	2.2
105.07027	41.3
107.04955	4.5
107.08593	88.6
108.08922	3.3
109.06499	9.7
109.10158	46.8
111.08061	9.9
113.05996	14.5
113.09673	2.9
114.11203	2.0
115.05461	2.2
117.07049	12.4
119.04890	2.3
119.08579	81.0
120.08910	3.7
121.06520	7.5
121.10148	52.9
122.10428	2.4
123.08061	6.3
123.11722	18.7
125.09644	11.5
128.06244	4.7
129.06978	6.6
130.07803	2.6
131.08575	28.7
133.06458	3.2
133.10132	50.9
135.08049	7.2
135.11694	32.8
137.05994	12.1
137.09612	8.0
137.13257	8.1
139.11168	16.2
142.07773	4.5
143.08598	11.1
144.09337	3.9
145.06490	2.9
145.10118	58.6
147.08002	3.7
147.11696	23.4
149.09636	6.9
149.13254	16.1
151.07530	4.3
151.11198	5.7
153.09065	3.0
153.12761	8.3
155.08473	3.9
156.09360	3.0
157.08817	3.3
157.10074	20.8
157.11009	1.9
158.10768	2.5
159.11690	68.8
160.12010	4.2
161.09674	4.3
161.13246	19.5
163.07555	2.8
163.11189	7.5
163.14825	54.5
164.15157	2.3
165.09137	3.5
165.12735	3.3
167.03461	2.8
167.10757	3.0
169.10158	9.0
171.11636	13.8
172.12448	3.2
173.09579	5.4
173.13263	21.4
175.07445	2.3
175.11223	5.8
175.14807	20.1
177.05457	2.2
177.09207	2.3
177.12761	5.8
177.16431	14.0
181.10162	2.8
181.15874	31.4
183.10303	2.2
183.11644	11.4
184.12537	3.0
185.13254	12.5
186.13980	3.7
187.11212	5.2
187.14803	24.7
189.05411	2.3
189.12717	4.0
189.16437	11.3
191.06953	2.3
191.14304	7.3
191.17941	7.5
193.08621	5.0
193.12273	8.3
195.11644	2.5
195.13777	2.6
197.13263	6.0
197.31667	2.2
199.14815	32.9
201.16382	100.0
202.16708	6.5
203.14261	2.5
203.17902	11.5
205.08638	2.3
205.15889	23.0
207.06540	3.5
207.17476	6.0
209.08063	5.7
209.13182	2.4
210.13951	2.7
211.14816	5.6
213.16354	21.6
215.17958	24.9
216.18340	2.5
217.15918	5.6
217.19585	4.3
219.14069	2.7
219.17455	55.1
223.09628	3.1
225.07455	3.4
225.16422	7.8
227.17938	9.7
229.19412	4.3
231.17494	2.6
233.18942	3.3
237.14844	4.9
237.18533	13.3
243.17389	20.4
245.19022	3.9
247.20801	2.6
251.17978	2.5
253.19420	3.0
261.11148	3.7
261.18420	12.6
265.19455	3.6
269.22711	3.7
275.12488	2.5
277.14383	3.0
281.22635	5.8
283.20493	2.4
305.17566	2.6
369.24219	3.8
373.16269	9.9
381.31418	3.9
383.29449	6.1
389.32050	10.4
395.33112	3.6
397.34631	4.0
399.32562	4.5
407.33090	49.9
408.33423	7.3
417.22763	6.3
425.34180	70.2
426.34378	7.4
443.35519	25.4
444.35681	2.6
461.22348	3.7
461.29004	16.0
461.35748	15.4
462.29428	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	461.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.8
55.01875	2.9
55.05511	21.9
57.07065	4.8
67.05502	67.2
69.03406	2.6
69.07067	54.7
71.05002	5.6
79.05484	23.6
81.07056	85.3
83.04962	6.3
83.08623	13.9
85.06496	4.6
91.05460	17.7
93.07047	35.4
95.04943	4.2
95.08602	67.5
97.06539	10.4
97.10174	9.2
99.08113	4.2
105.07040	19.6
107.08591	28.8
109.06505	4.5
109.10149	40.7
111.08076	5.0
111.11708	9.2
114.39574	2.1
114.67953	2.3
117.07003	7.8
119.08586	20.5
121.06493	3.1
121.10142	30.9
122.10464	2.5
123.08079	2.9
123.11700	18.3
125.09628	6.9
131.08569	8.7
133.06508	2.1
133.10132	17.0
135.08032	4.2
135.11708	19.2
137.13287	8.0
139.11313	3.4
145.10118	12.8
145.93111	2.5
147.11678	14.1
149.13281	8.7
151.11176	5.8
153.05391	4.1
157.10141	4.3
159.11662	11.5
161.09654	3.0
161.13234	12.1
163.14841	5.8
165.12791	3.8
171.11740	2.5
173.13257	9.1
175.14920	4.3
179.14351	3.3
187.14835	5.3
189.16364	4.8
193.12268	3.0
194.33708	2.8
195.10223	2.8
195.13976	2.9
201.16411	3.4
209.15314	2.6
243.21138	9.6
261.22119	25.5
279.23190	100.0
280.23624	6.7
284.59674	2.8
297.24130	13.8
422.97214	2.7
443.31943	4.5
461.29788	10.2
461.35745	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	461.3987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	29.6
57.07067	12.8
67.05499	36.8
69.07069	58.6
70.53330	13.9
71.04986	13.7
71.08622	8.8
79.05473	22.7
81.07054	91.9
83.08614	28.2
85.06541	11.7
91.05470	20.6
93.07053	44.4
95.08601	100.0
97.10176	12.9
99.08063	6.6
105.07034	36.3
107.08578	49.0
109.10155	67.3
109.31034	6.6
117.07001	6.9
119.08576	31.3
121.10120	33.9
123.11714	24.0
125.13230	7.3
127.11163	11.7
131.08565	9.4
133.10109	18.0
135.11691	26.5
137.05984	9.6
137.09607	6.4
137.13242	11.2
138.08458	6.9
139.07550	15.4
143.74486	5.9
145.10120	11.0
147.11688	24.8
149.13287	17.8
149.92174	6.6
151.07503	10.2
159.11659	15.9
161.13197	9.6
163.14806	10.7
165.05463	8.1
167.06949	6.6
173.13338	6.3
177.09094	26.8
177.16397	9.3
187.14893	7.5
189.16376	10.9
193.08591	9.2
200.78201	6.2
203.17935	8.0
356.26590	6.0
391.17148	7.7
420.24429	6.7
443.39328	10.8
461.31076	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	462.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.2
57.03441	3.5
61.02925	2.4
69.03435	16.1
70.06620	1.7
71.04996	5.3
71.31135	2.6
73.02921	4.9
73.04748	2.0
81.03421	17.3
81.07065	3.3
83.04995	2.0
85.02904	73.2
89.02338	1.5
91.05463	3.1
93.07062	2.0
95.04920	2.4
97.02895	26.4
99.04453	48.3
99.05086	3.0
103.03940	97.8
105.07005	2.0
107.08562	2.0
109.02872	23.4
115.03925	1.8
117.05505	3.6
117.07130	1.3
121.02827	2.2
121.06497	9.0
123.08157	1.7
124.18966	1.6
126.06671	1.5
127.03911	100.0
128.04253	2.4
129.01843	2.0
137.05951	4.3
145.04955	74.0
151.03929	4.1
151.07550	2.7
153.01845	4.3
161.05998	2.3
163.06024	46.8
163.07378	2.0
167.03410	1.7
170.71774	1.6
187.06026	8.2
187.07552	2.9
202.25301	1.6
205.07076	6.0
229.08661	2.8
247.09818	3.3
271.08179	4.8
286.04630	1.9
289.09073	4.5
301.07089	6.6
307.10153	8.0
349.11929	1.6
359.02917	3.4
370.57712	1.6
462.10678	1.9
462.20255	3.1
463.21814	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	462.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.2
55.01871	0.5
55.05513	1.7
57.03442	7.7
59.04998	1.1
61.02927	0.8
65.03947	0.4
67.05508	0.6
69.03432	5.6
70.03664	0.4
70.94090	0.8
71.04997	4.2
71.08635	9.6
73.02905	0.4
73.06537	0.6
79.05492	1.2
81.03414	3.3
81.07059	7.7
83.04977	3.0
85.02908	9.3
85.06548	1.1
86.03217	0.4
89.06012	0.3
90.64942	0.3
91.05487	1.1
93.07049	1.0
95.04964	0.4
97.02899	12.0
99.04465	1.9
99.08096	18.6
100.11260	0.4
101.02447	0.4
103.03931	2.0
103.05483	0.9
105.07037	0.4
106.02983	0.5
109.02878	5.6
109.06523	6.4
111.04433	1.7
117.09133	100.0
118.09466	2.6
119.08557	1.6
121.02871	0.7
121.06514	6.4
122.06821	0.5
124.03944	0.6
127.03919	6.9
127.07555	18.2
128.07855	0.5
129.05449	0.5
137.05972	0.4
139.07533	0.4
145.04953	6.3
145.08629	1.2
150.46619	0.3
159.08025	0.6
161.09534	0.4
163.06076	0.5
163.07607	0.6
163.09662	12.3
177.05588	0.7
183.10194	0.7
187.07620	0.7
201.11176	0.4
205.08655	1.0
225.11224	0.6
227.09390	0.3
229.08646	1.2
233.08176	0.3
243.12259	0.5
244.53606	0.3
247.09601	1.0
247.11827	1.2
268.08011	0.5
271.11850	1.2
279.14429	0.6
287.05533	1.2
289.12811	4.4
299.12830	0.4
300.09772	0.5
300.13092	0.6
301.06912	0.7
307.13821	2.3
459.18378	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21819	6.8
55.26054	8.3
62.16763	7.1
62.82064	7.1
65.27970	6.6
69.03426	8.3
69.68291	15.8
69.68706	23.5
73.04743	9.7
85.02900	14.6
91.05806	9.1
98.23264	10.4
104.63662	8.6
105.07042	14.1
118.58690	7.0
119.08577	11.2
120.34180	7.1
121.06496	14.4
131.08546	8.8
135.08076	18.4
136.88855	8.0
145.10066	6.8
147.08025	8.4
159.08018	14.0
161.09558	17.9
165.85130	6.9
175.07596	20.3
187.11194	10.3
189.09041	8.5
203.10692	14.2
217.12233	9.9
229.12262	9.8
247.13266	35.6
265.14291	100.0
359.03220	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	463.0871
Annotation	Kaempferol-3-Glucuronide
Peak:m/z	Relative Intensity
53.40514	0.1
55.01857	0.3
57.03436	1.2
58.97469	0.1
65.03945	0.2
67.01856	0.3
68.99780	1.1
69.03419	0.4
69.08107	0.6
69.08534	0.5
71.01002	0.2
71.01354	1.8
73.02917	3.3
75.04471	0.3
79.05486	0.3
81.03403	0.2
83.01336	0.3
85.02901	8.5
86.03242	0.2
95.01325	1.6
95.04936	0.1
97.02893	0.6
98.23425	0.2
99.00809	0.8
101.02377	0.7
103.03938	0.5
105.03388	0.4
105.07030	0.1
107.04951	0.6
109.02885	0.3
111.00812	1.1
113.02368	4.1
119.08588	0.2
121.02863	3.7
121.03798	0.2
123.89348	0.1
127.03935	0.2
129.06979	0.2
131.03412	2.1
133.00401	0.1
133.02859	0.6
135.04407	0.2
137.02353	1.4
137.05969	0.2
141.01813	1.5
141.07016	0.2
141.86667	0.1
145.06500	0.3
147.04410	0.8
153.01819	6.5
153.07808	0.1
154.02100	0.1
157.06468	0.8
159.02890	1.3
161.05978	0.4
165.01845	2.1
171.04428	0.1
171.65295	0.1
175.07623	0.2
183.02882	1.0
185.05989	0.5
189.05466	0.3
197.05984	0.1
203.03529	0.1
203.07109	0.2
213.05458	1.9
216.04285	0.1
217.04935	0.1
229.04982	0.2
231.06499	0.8
241.04887	0.9
243.06317	0.1
258.05212	1.6
259.05972	0.6
269.04553	0.4
286.04587	0.2
287.05478	100.0
288.05795	5.8
299.05493	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01599	0.4
51.02377	1.0
55.01872	1.1
68.01405	0.4
68.99789	0.8
69.03440	0.7
69.22265	3.7
71.04998	0.5
79.01385	0.5
79.01849	7.7
79.05495	0.5
81.03403	0.5
85.02894	1.9
88.69727	0.4
93.07035	0.4
97.02905	2.0
100.53291	0.4
105.07001	0.4
107.01335	1.7
107.04907	0.5
109.02913	0.7
115.05453	0.5
119.04959	0.4
123.00763	0.8
125.02349	3.4
129.06953	0.7
131.04900	1.0
133.06448	0.6
143.03387	7.6
144.05713	0.5
145.06493	0.9
147.04430	1.1
149.05966	0.8
153.01822	100.0
153.02901	5.8
154.02124	2.6
156.51447	0.5
159.04433	0.5
161.05962	1.6
162.06778	0.6
163.03851	0.7
163.07581	0.7
164.04681	0.4
167.03355	0.8
168.04187	0.6
171.04382	0.7
172.05052	0.5
173.05972	1.0
177.05466	0.9
178.06253	1.0
181.08591	0.6
182.05748	0.7
183.06549	1.0
187.07584	1.0
188.04704	0.6
188.08379	0.8
189.05447	4.4
191.03345	2.1
191.07014	1.4
192.07782	2.0
199.03897	1.3
201.05458	1.3
203.03519	0.8
203.07043	1.3
204.07854	2.6
205.04930	0.6
205.08409	0.6
206.05757	1.6
207.06479	1.1
208.07173	0.5
211.05992	1.4
213.03862	2.3
214.06271	0.6
215.07051	0.6
216.07787	2.0
217.04955	5.5
218.05553	0.9
219.06502	1.0
219.10159	0.9
220.07213	1.0
221.04510	0.8
221.08058	4.4
222.08870	0.4
223.06006	1.2
223.09576	2.1
229.04872	0.8
231.06477	1.4
232.07335	3.9
235.09724	0.6
236.06784	1.2
244.07315	1.3
245.04512	1.8
247.09685	8.0
249.07634	1.4
251.09120	3.4
255.04961	0.8
260.06842	1.2
265.10611	0.7
275.09125	32.2
276.09451	2.1
278.07825	0.8
287.05457	1.5
293.10172	12.8
294.10458	0.7
311.11368	2.6
333.89789	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65654	0.1
59.77015	0.1
65.88563	0.1
69.03394	0.1
70.47416	0.4
73.02872	0.1
81.03406	0.1
81.07040	0.1
85.02901	0.2
90.42952	0.1
93.07053	0.1
94.63343	0.1
98.22499	0.1
99.04569	0.1
100.26883	0.1
105.06961	0.2
137.05983	0.1
139.82162	0.1
149.05826	0.1
153.01846	0.4
208.90118	0.1
229.04951	0.4
257.04507	0.2
258.05234	17.5
259.05701	0.7
286.04703	39.4
287.05057	2.3
301.07053	100.0
302.07394	5.2
368.01242	0.1
463.12393	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1234
Annotation	6-C-Methylkaempferol 3-glucoside
Peak:m/z	Relative Intensity
50.80674	0.1
53.03933	0.1
55.01852	0.2
55.05494	0.1
57.03407	0.2
61.02924	0.8
67.05486	0.2
68.99809	0.1
69.03432	0.8
69.07027	0.1
69.24550	0.3
69.24961	0.2
71.04961	0.1
72.13733	0.1
73.02907	0.4
77.74146	0.1
79.05463	0.1
81.03389	0.2
81.07037	0.2
83.04936	0.1
85.02425	0.1
85.02901	1.7
87.04423	0.2
91.03920	0.3
91.05444	0.2
93.07005	0.2
95.04924	0.1
95.08576	0.2
97.02432	0.1
97.02888	0.6
97.10163	0.1
99.04430	0.1
100.42534	0.1
103.05383	0.1
105.03362	0.1
105.06995	0.3
107.08580	0.1
109.02852	0.3
109.06506	0.1
109.10110	0.1
115.03895	0.1
119.04890	0.1
119.08566	0.1
121.02861	0.5
121.10114	0.1
123.04338	0.2
127.03886	0.4
128.37790	0.1
133.10095	0.3
134.10454	0.2
135.04318	0.1
137.05952	0.2
137.09579	0.1
143.08585	0.1
145.04936	0.2
145.10036	0.1
147.04362	0.1
147.08173	0.1
149.05945	0.2
149.09589	0.1
151.03874	0.3
151.07431	0.1
153.01833	0.8
153.20175	0.1
163.11122	0.1
167.03412	0.7
171.08023	0.1
175.03848	0.2
177.05476	0.1
179.03374	0.3
181.73856	0.1
185.13190	0.1
199.07602	0.1
203.03395	0.1
207.06482	0.2
227.06996	0.2
229.04947	0.5
241.49313	0.1
244.09550	0.2
255.06519	0.1
257.04410	0.2
258.05219	18.7
259.05560	0.8
271.06119	0.1
272.06918	0.1
273.07547	0.1
283.05829	0.1
285.11508	0.1
286.04694	42.8
287.05081	2.4
299.05557	0.3
299.08838	0.1
300.06268	0.1
301.07040	100.0
302.07379	5.7
325.07349	0.1
329.06381	0.1
343.08130	0.8
379.15945	0.1
445.11279	0.1
463.12317	25.6
464.12650	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1233
Annotation	Isorhamnetin 3-rhamnoside
Peak:m/z	Relative Intensity
51.78832	1.6
52.49421	1.6
54.26683	1.8
55.05510	3.7
57.03419	4.1
61.52379	1.8
62.42962	1.7
67.05481	2.1
69.03408	2.4
70.37534	6.2
71.04995	21.6
73.04753	1.9
73.97892	1.6
79.05498	2.9
83.04941	2.5
85.02901	23.4
91.05832	2.2
95.08603	1.8
100.07599	2.0
100.11258	7.9
105.06981	3.2
107.04958	19.1
108.05280	5.0
109.05493	1.6
111.04413	1.8
121.02872	3.7
121.45527	1.7
127.87017	1.8
129.05486	3.4
135.08043	1.8
137.05997	14.2
146.23297	1.9
147.04391	2.1
151.03912	3.3
153.01788	11.0
161.05997	3.3
167.05638	2.6
167.07036	20.3
173.63745	1.8
193.04935	3.4
195.05363	2.5
205.04791	2.7
205.06541	1.9
206.05014	2.4
209.16440	2.0
210.14906	3.8
211.09686	2.0
227.43987	1.7
228.04378	2.5
229.04797	2.3
245.04372	2.4
246.05141	2.4
255.12909	1.7
257.04544	2.6
258.05307	5.6
274.04776	4.4
283.09549	2.7
285.03937	6.9
286.04706	19.2
299.09085	4.5
300.09467	5.6
301.07007	42.3
301.09863	11.0
302.04135	7.9
302.07275	2.9
317.06540	100.0
318.06775	4.3
349.92731	2.0
357.02292	2.1
359.07428	3.3
463.17291	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	463.1232
Annotation	6-Methoxyluteolin 7-rhamnoside
Peak:m/z	Relative Intensity
53.03942	1.2
55.05497	2.8
57.03425	3.4
57.34137	1.2
65.03952	1.3
67.05501	2.6
69.03426	3.5
69.07067	1.6
70.03564	2.6
70.03956	2.2
70.52888	1.2
71.04994	22.8
79.05489	3.0
81.03400	3.0
81.07050	4.9
83.04977	1.6
83.84850	1.2
85.02908	23.5
87.63937	1.1
91.05482	2.4
93.07039	4.7
95.08609	4.3
97.10173	3.1
105.07030	5.3
107.08598	5.1
107.64664	1.4
109.02860	2.2
109.06453	1.7
109.10215	1.8
117.95903	1.1
119.04938	1.3
119.08557	3.2
121.02885	2.2
121.10133	2.9
123.04432	2.0
125.09638	2.5
129.05481	3.7
133.10088	8.2
134.10503	2.2
135.11702	2.8
137.02345	4.8
137.05988	2.1
143.10678	4.3
145.10150	2.0
149.13258	1.8
159.11685	1.4
167.03404	4.8
167.14304	7.8
168.14702	1.3
179.03391	3.7
192.25461	1.3
215.06947	1.4
219.17467	7.0
220.17802	2.1
243.06425	2.9
271.06198	1.5
286.04776	6.5
299.05600	2.0
301.07010	19.2
301.09961	2.1
302.07260	2.2
317.06549	100.0
318.06924	5.6
329.06573	3.7
341.06601	2.6
359.07492	5.0
383.07751	1.7
427.10141	5.3
445.11188	3.0
463.12335	7.1
463.32187	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	463.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03415	0.4
60.10776	0.4
69.03411	0.6
69.20393	3.0
71.04981	4.1
73.04730	0.5
73.93034	0.5
81.03394	0.5
83.04956	0.5
84.06696	0.4
85.02399	0.4
85.02898	7.6
91.05769	1.0
97.02864	1.2
98.22623	0.8
103.03940	0.5
109.02840	0.4
121.04022	0.4
123.04417	0.4
123.55265	0.4
127.03884	1.2
129.05444	1.9
131.35696	0.3
134.76950	0.3
143.03444	0.4
145.04918	1.3
147.06512	0.7
151.07484	0.4
151.30119	0.4
153.01857	2.7
153.02928	0.6
155.07030	1.2
163.06033	0.5
167.05672	0.4
167.06998	0.6
168.77196	0.4
177.05289	1.0
179.06987	0.8
181.05049	0.3
191.03429	0.4
191.07004	1.1
193.08708	0.5
195.66216	0.4
205.04707	59.1
206.05028	2.3
207.06578	0.6
212.07002	0.8
212.99133	0.5
218.05702	0.5
219.06508	0.4
221.08058	1.1
266.07645	6.2
266.10568	0.7
267.08344	2.1
275.09045	0.5
278.10156	1.3
281.10220	0.4
302.01523	1.3
322.09009	0.5
327.57947	0.4
359.03012	0.5
360.02722	0.6
415.13684	0.5
433.14752	0.4
463.15714	100.0
464.16031	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	463.1573
Annotation	Cryptomisrine
Peak:m/z	Relative Intensity
57.15885	0.4
68.02557	0.3
69.03407	0.5
69.94095	0.3
70.95966	0.4
71.33373	0.5
71.33831	0.5
73.04736	0.7
81.03402	0.6
82.87280	0.4
84.86348	0.3
85.02876	0.5
91.05766	1.6
93.07016	0.5
105.06936	0.4
121.10117	0.4
127.03873	0.5
133.57779	0.5
135.04379	1.2
137.05894	0.4
139.03882	0.5
146.05991	1.4
153.01797	1.7
153.05356	0.6
157.04930	0.7
161.05905	0.6
167.05539	0.8
205.04703	60.8
206.05020	2.4
251.05304	0.5
266.07571	6.7
267.08395	1.6
279.08496	0.6
287.05533	0.7
301.10776	0.5
302.01276	0.6
322.09186	1.4
360.02954	0.9
430.09128	0.5
433.14783	0.4
445.14709	0.5
463.15704	100.0
464.16068	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	463.1574
Annotation	Exoticin
Peak:m/z	Relative Intensity
51.02390	0.5
55.01884	1.0
57.03430	1.1
61.02929	1.1
67.25413	0.6
69.03416	2.3
71.04984	3.7
73.02916	0.6
73.04755	1.2
79.05501	0.8
81.03415	0.7
85.02902	15.5
87.04457	0.5
91.03954	0.6
91.05793	1.1
97.02885	2.4
99.04446	0.6
109.02853	0.8
123.04414	1.5
127.03915	3.4
129.05544	0.8
139.03917	0.6
145.04980	5.0
147.06464	0.6
153.01843	3.9
155.06964	0.8
161.06036	0.6
163.06061	1.7
167.05479	0.6
167.07004	0.8
168.94907	0.7
177.05333	1.0
191.07011	0.7
205.04712	63.0
205.66573	0.5
206.05139	2.1
207.06502	0.6
212.07072	1.2
219.06306	0.6
221.08093	1.0
230.08020	0.7
247.09575	0.7
260.09320	0.8
266.07654	7.5
267.08322	1.5
278.10339	1.8
302.01413	1.2
322.08737	0.6
331.47803	0.7
360.02878	1.2
415.13516	0.8
463.15732	100.0
464.16077	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	463.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.1
55.01876	2.4
56.42234	0.4
57.03423	1.4
61.02932	2.6
66.58965	0.5
66.72532	0.3
67.01891	0.5
69.03438	7.9
69.47948	2.3
71.04990	0.9
73.02885	1.2
73.42155	0.4
79.05472	0.9
81.03418	3.9
81.07045	0.6
84.65504	0.4
85.02908	16.8
87.04452	1.6
91.03958	0.8
91.05412	0.6
93.07044	0.6
95.04951	1.1
95.55580	0.4
97.02892	8.7
99.04434	1.6
103.05501	0.8
105.07011	0.7
107.04884	0.6
109.02872	1.7
119.04923	0.5
121.02867	1.1
121.06522	0.6
123.04452	0.6
127.03899	4.2
131.04880	0.6
137.02328	0.4
137.05998	2.6
138.09077	0.5
141.06969	0.6
145.04955	2.9
145.06450	0.5
146.03577	1.2
146.05980	1.4
147.04404	1.2
152.06209	9.2
153.01836	0.8
153.06970	2.5
155.04926	1.4
155.08574	1.2
159.04404	0.7
161.06036	1.9
163.84998	0.5
165.07007	12.5
166.07730	3.8
167.07291	0.5
167.08571	14.6
168.05765	0.8
168.08891	0.7
169.06461	1.8
173.05898	0.4
174.06752	0.4
176.06200	4.2
177.07007	14.7
178.07608	1.4
179.08571	1.4
181.06441	3.2
182.07260	1.5
183.04333	1.1
183.08099	2.2
193.06497	4.2
194.07246	4.2
195.08051	21.1
196.08441	0.7
197.05969	1.3
197.09642	0.6
205.06491	12.0
205.08418	0.6
206.07109	1.3
207.08139	1.0
208.05196	3.3
209.05962	0.7
209.09688	0.8
210.06796	3.3
211.04155	0.6
211.07504	3.7
212.04742	0.6
212.08321	1.0
213.69968	0.4
221.05971	6.9
222.06696	3.4
223.07547	27.7
224.07933	1.4
225.09128	3.8
227.10596	0.4
233.05885	2.8
234.06784	1.7
235.07396	1.1
237.09090	1.2
238.06276	1.7
239.07010	5.1
240.07782	1.0
243.09956	0.4
250.06355	0.9
251.07037	100.0
252.07442	6.6
253.08609	6.9
255.10188	1.6
256.07416	0.9
265.08624	1.5
268.07361	1.2
271.09653	26.9
272.10028	1.4
283.09650	83.5
284.10037	4.4
322.09036	0.6
445.15833	0.5
463.17078	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	463.2325
Annotation	Hydrocortisone succinate
Peak:m/z	Relative Intensity
55.01868	0.9
55.05507	1.3
57.07078	1.1
59.04996	2.2
67.05488	2.6
68.99777	3.0
69.03429	7.5
69.07048	2.4
69.22879	5.6
71.04991	4.4
73.61368	1.0
76.74664	0.6
79.05493	3.9
79.71754	0.8
81.07053	3.6
83.04973	2.3
83.08624	0.9
87.04450	1.0
91.05473	3.7
93.07047	5.0
95.04949	2.8
95.08602	5.3
97.02884	1.9
97.06533	8.1
97.10156	0.9
98.22494	0.8
99.04464	1.5
105.07010	3.0
107.04965	1.7
107.08588	3.3
109.02835	0.7
109.06493	1.5
109.10138	1.8
111.04415	2.1
111.08081	2.2
113.06028	2.2
113.09626	0.7
117.06995	2.0
119.08570	2.9
121.06485	5.8
121.10162	7.1
123.04435	1.8
123.08057	6.1
123.11721	1.6
125.05998	5.1
125.09598	1.7
131.08560	1.1
133.06517	1.8
133.10129	3.0
135.08084	3.8
135.11699	1.6
137.05998	1.2
137.09610	26.9
139.03902	2.8
139.07545	7.9
139.11169	8.7
139.63806	0.7
141.09109	1.2
143.08534	0.8
145.10098	1.0
147.08032	2.3
147.11667	1.8
149.05988	8.7
149.09599	4.1
149.13217	1.7
150.10361	2.7
151.07529	2.9
151.11156	1.7
153.05472	8.7
153.09103	1.4
155.10664	0.9
156.09421	0.7
157.05020	0.7
159.11649	1.2
161.09599	2.0
163.07515	5.5
165.05435	1.0
165.09128	4.0
167.03400	1.0
167.07043	4.5
167.10654	3.7
173.05986	6.0
173.13234	1.5
175.07552	1.8
175.11185	2.6
177.09052	2.6
177.12727	1.0
179.10674	1.2
181.08604	16.2
183.06406	0.8
183.10135	3.0
187.11256	0.9
189.09088	2.2
189.12764	1.6
191.07024	11.2
191.10651	0.9
191.14340	2.2
192.07658	1.0
193.08574	1.8
193.12199	4.1
195.13771	0.8
199.11128	2.0
203.07085	1.1
203.10686	1.4
205.12111	0.9
207.10129	1.7
207.13765	1.8
209.08080	100.0
209.15408	2.0
210.08437	4.4
217.08723	0.7
217.12302	3.6
219.13869	3.8
221.11745	1.1
221.15268	0.9
227.09045	8.2
233.11674	0.8
235.09702	1.0
235.13269	21.0
236.13791	1.1
237.14850	13.8
238.15250	1.0
245.11748	2.4
247.13147	0.7
249.14813	2.1
251.12773	0.9
259.13419	1.9
263.12772	18.0
269.11792	1.4
271.13190	1.6
273.11258	0.8
275.12701	0.8
277.14310	2.4
279.15854	2.2
287.12823	1.1
297.11194	2.5
305.13748	0.9
315.12476	1.1
315.15784	1.8
329.17334	1.9
347.18484	2.8
357.16882	1.6
367.15387	1.0
375.17987	6.2
385.16214	2.5
387.18231	0.9
409.20123	1.0
417.22720	16.7
418.22910	2.0
427.21207	5.7
445.22205	93.6
446.22614	9.5
463.23190	10.3
464.23312	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68241	0.9
53.03947	1.2
55.01876	1.0
55.05505	4.8
57.03451	1.2
57.07075	4.3
67.05517	8.5
67.21620	1.1
69.03445	3.3
69.07063	5.0
69.99619	3.4
71.04995	6.5
75.00737	0.9
79.05505	4.1
81.07058	6.7
83.01361	2.8
83.04993	2.8
83.08631	2.7
83.78441	1.0
85.06549	3.3
91.05492	3.2
93.07047	5.7
95.04954	5.4
95.08613	9.8
97.06520	4.4
97.10196	1.3
98.22636	1.0
99.04488	1.3
103.05518	1.1
105.07027	5.7
107.04978	1.2
107.08595	7.9
109.06520	6.3
109.10182	4.1
111.04469	2.6
111.08071	2.3
113.06005	10.3
113.09682	1.7
117.07043	1.0
119.08569	4.6
121.06529	3.8
121.10163	4.1
123.04467	2.5
123.08066	8.5
123.11671	0.9
125.06088	1.3
125.09681	1.3
126.71743	0.9
127.07625	1.0
129.06984	1.2
131.08595	2.2
133.06538	1.7
133.10164	2.7
135.08101	2.8
135.11723	1.4
137.05092	0.9
137.05916	4.5
137.09666	3.8
137.13304	1.3
139.03925	2.1
141.05499	2.2
141.09151	1.9
145.10164	1.7
147.08083	3.0
147.11769	1.4
149.06010	3.3
149.09677	3.0
149.13341	1.2
151.07535	12.3
151.08577	1.1
153.05476	7.1
153.09171	3.5
155.07042	2.7
157.05064	1.1
157.06453	0.9
157.10175	1.5
159.08086	1.8
159.11751	1.8
161.06079	0.9
161.09561	2.0
161.13269	1.6
163.07576	5.1
163.11287	2.6
165.05553	1.3
165.09125	6.0
167.07085	2.2
169.05042	2.2
169.08636	9.4
173.09674	2.1
173.13306	1.8
174.06844	1.0
175.07555	4.6
175.11240	1.2
176.08401	3.5
177.05595	2.8
177.09099	7.0
177.12801	1.1
179.07042	6.3
179.10658	1.6
181.08684	2.5
183.11745	1.1
185.08083	1.7
187.07613	1.6
189.09117	6.4
191.07034	30.7
191.10773	2.9
192.07800	62.0
193.08594	12.2
193.12282	2.1
194.09431	3.1
195.10126	10.3
195.11716	1.1
197.08153	3.0
199.07491	1.2
199.11232	1.1
201.09204	1.6
201.12854	2.9
203.07098	1.3
203.10759	1.7
204.11572	1.3
205.08603	48.0
205.12314	3.4
206.09007	1.8
207.10165	4.3
207.13887	2.3
209.08183	3.9
211.09610	5.5
214.09914	1.1
215.10622	1.3
217.08664	5.1
217.12300	3.9
219.06567	1.2
219.10197	6.8
219.13731	10.3
221.08101	1.3
223.09677	4.6
225.11186	9.4
227.10725	1.3
229.12253	5.2
231.13925	3.8
232.11060	5.0
233.11627	0.9
235.13168	5.0
237.11330	3.1
237.14900	1.6
243.10320	1.1
245.11639	5.0
247.13293	93.7
248.13736	4.6
249.14908	1.7
253.14285	5.6
257.11591	1.1
259.13245	7.1
261.11356	1.1
262.12152	1.1
263.12799	10.6
265.14349	100.0
266.14819	5.1
275.13095	1.3
277.14355	19.7
278.14926	1.3
285.11166	1.4
287.12839	1.2
291.12466	2.7
305.13770	1.6
329.17410	1.6
357.17188	3.9
367.15729	1.0
375.17987	24.1
376.18515	1.8
393.19122	9.5
409.20294	1.6
417.22906	1.1
427.21249	9.6
428.21832	1.3
445.22211	67.7
446.22705	5.8
463.23422	36.1
463.33020	10.6
464.23492	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	463.269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
55.05501	2.4
57.03412	0.6
57.07067	2.4
59.04992	0.8
67.05501	5.7
68.05807	0.5
69.03428	1.7
69.07074	2.9
69.84630	2.7
71.04990	2.9
76.29160	0.5
79.05484	2.4
81.07055	6.3
83.01337	4.0
83.04958	1.6
83.08604	0.8
85.06552	5.5
87.39888	0.5
91.05479	2.7
93.07037	5.8
95.04953	2.3
95.08607	4.8
97.06531	4.5
99.04424	0.7
103.80427	0.5
105.07041	3.0
107.04970	1.0
107.08586	5.1
109.06511	3.5
109.10160	3.5
111.08091	1.9
113.06013	14.0
114.06293	0.6
117.07025	1.1
119.08604	3.0
119.71398	0.6
121.06509	1.5
121.10168	2.6
123.04398	1.4
123.08053	3.9
123.11704	1.6
125.05998	2.0
125.09599	2.0
127.07546	0.8
129.06987	1.1
131.08583	1.2
133.10117	1.1
135.08041	1.0
135.11674	3.3
137.05981	16.5
137.09605	2.1
139.11180	1.9
141.05464	4.7
145.10156	1.1
147.08028	3.0
149.05925	0.8
149.09628	1.8
149.13246	0.8
150.06815	0.7
151.07533	2.7
151.11162	1.3
153.05453	5.4
153.09029	0.7
153.12723	1.2
155.07056	1.9
159.11661	1.3
160.05237	1.0
165.05501	3.1
165.09123	18.7
167.07076	0.8
167.10664	1.5
169.04965	10.5
169.08638	1.7
175.07558	10.3
178.06247	3.9
179.10698	2.0
181.08594	8.5
181.12172	1.1
183.06482	0.9
189.09116	0.8
191.06992	0.8
192.07832	0.7
193.08604	50.4
193.15714	0.9
194.08958	2.0
197.11754	0.8
205.08614	1.3
207.10164	6.3
207.17451	1.1
209.08087	5.2
211.09653	100.0
212.09990	4.4
219.10226	0.6
221.15417	0.8
225.11209	39.2
226.11560	1.6
227.09184	2.1
235.16969	1.0
237.14885	1.3
239.16357	4.4
251.16496	0.8
253.17979	11.6
279.16132	0.7
285.11044	0.6
293.17557	1.5
336.18323	0.5
338.94211	0.5
355.15479	0.7
357.20654	0.6
375.14487	0.5
405.84052	0.5
445.26361	6.9
446.25925	1.3
463.31042	6.1
463.41681	0.8
464.30954	0.7
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	Lucidenic acid M
Peak:m/z	Relative Intensity
50.01585	0.5
50.96886	0.3
51.02377	0.7
53.03941	3.9
55.01873	3.0
55.05511	17.9
57.03433	7.4
57.07071	2.8
59.04984	0.5
65.03943	3.5
66.74857	0.4
67.05502	74.8
68.05841	2.1
69.03402	0.8
69.07066	27.9
69.59796	1.9
71.01357	1.0
71.04989	5.9
71.08648	0.5
73.02936	0.7
73.06543	0.4
73.51068	0.3
77.03917	0.6
79.05490	52.0
80.05811	1.2
81.03421	3.4
81.07053	100.0
82.07381	2.0
83.04981	7.5
83.08616	17.9
84.08940	0.4
85.02905	0.3
85.06541	4.6
91.05474	28.5
92.05811	0.9
93.07040	73.4
94.07355	1.9
95.04966	7.6
95.08603	24.0
96.08915	0.6
97.06525	13.6
97.10168	2.0
99.04449	0.7
99.08082	4.2
103.05484	0.5
105.04505	2.2
105.07024	11.0
107.04933	1.6
107.08588	38.6
108.08939	1.0
109.06497	3.1
109.10143	4.2
111.08082	9.9
111.11720	0.7
113.06004	0.7
113.09624	1.2
115.05467	0.8
117.07014	11.0
117.56597	0.4
118.07330	0.4
119.06038	0.6
119.08578	3.9
120.49107	0.4
121.06505	2.5
121.10137	22.7
122.10490	1.0
123.08056	0.8
123.11697	2.6
125.05907	0.4
125.09624	1.3
127.07542	0.6
129.06993	0.9
130.07744	0.5
131.08566	11.6
132.08917	0.6
133.10129	9.5
134.10498	0.4
135.08046	2.9
135.11693	12.1
137.09619	0.8
139.07530	0.9
139.11177	2.4
141.05490	0.9
144.09254	0.4
145.10129	0.9
147.11656	2.2
149.09628	1.5
149.13251	48.0
150.13586	1.6
151.07523	0.4
151.11226	1.0
153.09100	0.7
157.10123	0.7
159.11687	19.1
160.12080	0.8
161.13174	0.6
163.11172	0.8
167.03432	1.9
167.14359	1.2
171.11708	0.5
173.13292	0.5
177.12743	10.7
178.13145	0.5
195.13794	16.1
196.14130	0.7
209.08095	0.5
213.14804	2.3
227.09175	0.6
251.16341	0.7
269.17355	0.8
367.30023	0.6
431.31781	0.7
445.29654	0.8
463.30630	50.0
464.30768	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	463.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.7
53.03938	3.4
55.01871	3.6
55.05509	21.0
56.05840	0.4
57.03436	6.3
57.03707	0.7
57.07078	2.9
59.05010	0.6
65.03934	4.3
67.05501	76.8
68.05836	1.2
69.03437	1.2
69.07066	25.3
69.29892	3.0
70.07389	0.4
71.01363	1.2
71.04989	6.4
71.21172	0.4
73.02911	0.6
77.01521	0.4
77.03898	0.9
79.05490	54.7
80.05833	1.5
81.03412	3.8
81.07053	100.0
82.07378	2.6
83.04979	8.6
83.08612	17.5
85.06535	5.5
87.04494	0.5
91.05474	30.6
92.05809	0.9
93.07039	73.5
94.07377	1.7
95.04967	8.3
95.08600	25.9
96.08949	0.9
97.06526	15.0
97.10175	2.9
98.22654	0.8
99.04476	0.5
99.08076	2.9
103.05489	0.5
104.45594	0.4
104.87579	0.4
105.04504	2.1
105.06358	0.3
105.07028	12.6
107.04955	2.1
107.08590	38.9
108.08966	1.6
109.06515	3.8
109.10152	5.3
111.04449	0.6
111.08080	8.6
111.11699	0.6
113.05994	1.1
113.09646	0.9
115.05444	1.0
117.07010	11.4
117.07803	0.9
118.07446	0.4
118.85832	0.4
119.06113	0.7
119.08564	4.7
121.06519	3.2
121.10136	23.2
122.10488	0.6
123.04436	0.5
123.08047	2.1
123.11700	3.9
125.05975	0.8
125.09620	1.9
127.07566	1.0
128.06181	0.5
129.07021	1.6
131.08562	11.9
133.10126	15.8
134.10490	0.6
135.04463	0.4
135.08076	2.7
135.11687	13.2
136.12062	0.5
137.05977	0.6
137.09615	2.7
139.07535	1.2
139.11172	2.4
141.05397	0.4
143.08551	0.8
145.10164	1.5
147.07976	0.4
147.11658	2.9
149.05975	0.7
149.09663	1.6
149.13248	43.4
150.13622	1.6
151.07602	0.7
151.11151	2.3
151.32095	0.4
153.05475	0.9
153.09140	1.6
157.10175	1.4
159.08034	0.5
159.11684	17.4
160.12117	1.0
161.09590	0.5
161.13284	0.8
163.07620	0.9
163.11188	0.5
165.09122	1.0
165.12801	0.6
167.07066	0.5
167.14368	1.5
171.11646	0.6
173.13297	0.8
175.11108	0.4
175.14789	0.7
177.09264	0.4
177.12740	9.0
179.07129	0.5
181.08649	1.3
185.13239	0.5
189.11208	0.6
189.16417	0.6
191.07025	0.7
191.10854	0.5
193.12221	1.0
195.13802	19.6
196.14206	0.9
201.16472	0.6
209.08109	5.5
210.08482	0.4
211.09615	0.4
213.14932	1.8
219.13896	1.1
227.12839	0.4
235.13301	1.2
237.14873	0.8
251.16383	0.8
263.12930	1.3
269.17792	0.7
311.09253	0.4
368.84460	0.4
375.17923	0.6
417.22897	0.8
417.28601	0.5
427.28302	0.8
445.22086	7.3
445.28629	1.0
445.36234	0.5
463.30643	44.6
464.30801	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	463.3416
Annotation	Stoloniferone T
Peak:m/z	Relative Intensity
55.01873	11.5
55.05507	12.8
67.05500	20.0
69.03416	10.7
69.07061	28.4
69.26682	31.9
69.70697	3.7
71.04987	4.9
72.47925	4.1
79.05470	20.0
81.07050	28.4
83.04978	9.4
83.08618	11.2
88.23106	4.2
91.05470	7.8
93.07043	32.3
95.04996	5.8
95.08595	37.8
96.73119	3.3
97.06550	13.4
105.07053	27.0
107.08582	49.0
109.10136	22.2
111.08095	11.0
115.07573	4.5
117.07032	5.4
119.08568	31.7
121.06493	5.3
121.10144	27.8
123.08172	5.1
123.11720	7.8
125.09624	88.9
131.08569	10.2
133.10107	27.9
135.11684	26.0
143.08586	8.9
145.10150	23.9
147.11725	18.4
149.13237	10.6
151.03888	8.5
153.09119	13.4
153.12770	6.8
157.10136	8.8
159.11702	16.9
161.13239	14.5
163.14778	4.5
169.10052	6.8
171.11678	6.8
173.13301	10.0
175.14815	8.5
181.12265	17.2
183.11838	7.4
185.13287	7.1
187.14874	16.2
189.16347	5.6
191.14305	8.0
197.13219	5.6
199.14799	6.4
201.12784	4.4
201.16415	26.9
203.17924	21.6
213.16336	10.9
215.18011	5.9
219.13875	6.1
219.66673	3.7
221.13397	4.1
224.77319	4.0
225.16484	4.1
227.17987	7.4
237.14867	30.1
253.19469	5.2
269.22662	15.2
363.30252	5.6
374.74579	3.8
399.02118	4.3
409.31213	32.7
410.31317	4.3
427.32138	100.0
428.32352	10.5
463.27582	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	463.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	31.5
57.07070	35.6
67.05502	41.5
67.46365	9.6
69.07053	76.7
71.04974	13.2
71.08656	12.0
78.65913	10.4
79.05492	38.3
81.07061	100.0
81.40993	9.1
82.44486	11.5
83.08630	27.9
85.06526	17.9
91.05469	17.2
93.07070	67.9
95.08604	63.1
97.06557	17.7
97.10178	20.6
105.07020	24.9
107.08589	60.3
109.10152	45.5
111.04385	12.2
119.08567	32.7
121.10165	38.7
123.11712	12.7
131.08540	17.8
133.10135	40.7
135.11682	47.5
143.07014	22.4
145.10164	29.1
147.11673	23.8
149.13287	18.2
157.04984	29.8
159.11658	20.3
161.13310	17.8
209.08195	11.2
211.09573	13.6
237.14793	23.5
343.33813	14.3
347.33011	16.4
358.39087	10.6
427.35614	33.5
428.36401	24.8
445.22064	18.4
445.36731	44.2
446.37015	23.8
463.31561	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	463.3777
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
50.27720	1.1
53.03946	3.6
55.01873	1.6
55.05508	23.8
57.03414	1.4
57.07077	16.3
67.05505	10.0
67.60681	1.1
69.03410	1.7
69.06721	1.5
69.07068	25.4
71.04992	1.4
71.08629	3.1
73.02908	1.5
79.05489	6.4
81.07054	17.7
83.04978	49.4
83.08610	11.7
85.10187	1.8
91.05474	6.3
93.07040	18.2
95.04978	2.8
95.08606	15.0
97.06534	3.4
97.10163	7.1
98.22516	2.2
99.08085	2.4
105.04476	1.2
105.07026	5.2
107.08582	10.7
109.06506	4.3
109.10147	8.3
111.04407	1.1
111.08095	7.5
111.11693	2.5
115.05352	1.3
117.06988	2.2
119.08569	4.2
121.06499	31.9
121.07336	2.2
121.10161	6.9
123.04411	1.7
123.08102	7.1
123.11687	4.3
125.05974	2.9
127.07542	13.6
131.08571	2.1
133.10123	3.9
135.08040	13.5
135.11708	2.8
137.09573	10.2
137.13266	1.6
139.03911	1.6
139.07529	83.7
139.11154	1.6
145.10143	2.9
147.11659	1.4
149.05951	1.4
149.09613	5.6
151.07520	1.6
151.11259	1.2
151.14888	1.7
153.09093	9.8
157.04950	5.4
159.11708	2.5
161.09613	2.7
161.13339	1.3
163.07545	12.1
163.11186	3.0
165.09140	5.8
167.03430	1.9
167.10663	3.1
169.08618	4.0
171.13788	36.6
171.15166	2.1
175.11214	1.6
177.09052	1.7
177.12585	1.3
181.08588	20.7
181.12228	4.3
189.12790	1.8
191.10678	1.7
191.14330	1.8
192.07625	1.8
195.10170	2.7
195.13722	2.8
197.13277	1.4
203.14354	1.6
205.12289	1.7
209.08128	3.9
209.11729	3.1
209.15515	1.7
223.13268	3.0
227.08963	3.0
229.85750	1.2
235.13281	3.1
237.14813	6.4
247.13213	1.9
249.14772	1.3
251.16432	3.3
263.12836	1.3
265.14319	1.8
265.17917	1.5
279.19626	1.8
287.05222	1.4
293.21149	2.0
307.22635	2.8
312.61600	1.2
363.28854	2.1
385.34439	1.4
393.17950	2.0
427.35721	2.9
445.22238	3.7
445.36710	74.7
446.37057	10.6
463.32108	5.2
463.37796	100.0
464.38052	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	464.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.9
55.01871	0.7
57.03434	0.9
61.02925	1.3
61.33677	0.4
61.83345	0.4
67.05493	0.9
68.39258	0.5
68.57227	0.4
69.03407	2.1
71.04992	6.2
71.12701	0.7
73.02904	0.8
77.03898	0.6
79.05489	0.8
81.03398	0.7
81.07093	0.8
83.04999	0.6
85.02911	11.2
86.06896	0.4
91.03960	1.0
91.05450	0.7
93.03418	0.5
93.07043	1.0
95.04953	1.4
95.08601	1.0
97.02894	1.8
98.23268	0.5
99.04450	0.7
103.05470	40.4
104.05759	1.0
105.07028	1.7
107.04971	1.3
107.08592	1.2
109.02906	1.1
109.10137	0.5
111.04456	0.6
117.07033	0.4
119.05020	0.4
119.08624	0.8
120.08141	0.7
121.02847	0.8
121.06557	0.8
121.10104	0.8
123.04417	0.4
125.05957	0.5
127.03916	1.3
129.05479	1.7
129.06976	0.5
131.04930	100.0
132.05228	2.7
133.06456	0.7
135.04451	0.6
135.08041	2.1
137.02368	1.6
137.05972	1.4
139.07574	0.5
145.04990	0.9
145.10109	0.5
147.04449	1.0
147.32274	0.5
151.03909	1.3
153.01845	5.7
157.10123	0.5
161.05984	4.3
161.09615	1.0
163.07542	42.7
164.07990	1.3
165.01863	1.1
165.05519	0.5
166.08586	0.6
167.07043	1.4
175.07590	0.9
181.08676	0.5
187.71822	0.4
189.09081	1.9
191.07063	0.7
193.04968	0.6
207.10210	4.2
211.09663	0.5
217.05002	0.9
229.04999	0.8
242.16325	0.5
245.04539	0.7
257.04382	0.8
273.03986	0.6
279.10187	0.5
285.12302	0.5
302.11017	0.6
303.04987	21.1
319.04486	16.0
329.02997	0.7
331.04395	0.8
361.05542	1.2
385.05627	0.5
464.16409	0.6
464.22180	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.6
55.01875	3.9
57.03433	6.3
61.02926	9.7
65.03921	0.7
66.83373	0.8
69.03429	18.5
70.46208	1.8
71.04993	4.1
73.02923	3.9
79.05501	2.5
81.03413	8.1
83.04989	1.1
85.02905	100.0
86.03245	1.8
87.04481	2.9
91.03974	5.7
91.05456	1.0
95.04969	1.3
95.08614	1.4
97.02258	1.7
97.02890	29.6
98.06068	1.6
99.04444	4.6
103.03963	1.4
105.03401	3.3
107.04985	0.8
109.02879	7.2
110.06049	1.1
115.03937	1.6
120.08109	3.2
121.00935	0.8
121.02881	4.4
123.04432	11.3
126.05543	0.8
127.03915	26.4
129.05528	0.9
137.02371	1.4
138.09085	3.8
144.06580	2.6
145.04959	46.7
146.06120	1.1
148.07599	3.0
153.01889	4.2
162.07651	1.0
163.03935	1.6
163.06010	14.3
165.01868	1.0
166.08646	9.0
167.07030	4.1
180.08736	1.3
205.04713	1.0
220.33890	0.8
224.07652	0.8
229.05002	1.6
251.09248	4.2
252.07355	1.5
267.08676	1.6
276.09763	0.8
277.03525	2.0
285.00272	1.1
285.03870	1.0
302.01382	1.1
303.01382	2.3
303.04916	24.5
310.12842	1.3
405.14554	1.0
464.15866	6.7
465.13773	1.2
465.19440	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	464.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.0
55.01881	0.9
56.37326	0.8
57.03429	2.0
61.02935	1.7
69.03430	6.8
71.04967	1.8
71.13384	0.7
71.13700	0.8
73.02912	1.6
75.04482	3.7
75.25568	0.7
77.64967	0.8
81.03412	5.0
81.07042	1.0
85.02904	43.8
85.06552	0.7
85.21011	0.6
87.04459	0.9
91.03971	0.8
91.05483	1.1
93.07043	0.8
97.02890	11.2
99.04432	2.9
103.03954	4.7
103.05448	2.3
103.07603	0.9
105.03383	2.1
105.07014	1.9
107.04972	1.2
108.04501	1.2
109.02869	5.1
117.05490	100.0
118.05853	1.4
121.06554	1.1
127.03912	11.3
131.04950	5.7
137.02345	0.8
137.05984	1.8
145.04956	24.9
147.04396	1.0
149.05998	1.2
151.03902	0.8
151.07538	0.8
153.01828	2.4
161.05959	3.3
163.03931	1.1
163.06021	12.1
163.07527	2.5
167.07008	2.8
189.09152	2.1
203.07042	0.9
207.06480	1.7
207.10146	1.9
211.05606	0.7
217.07037	1.3
229.05006	0.8
229.07085	2.1
231.06519	2.1
247.08142	3.2
249.07510	4.6
267.12399	1.3
271.08221	1.1
289.09167	1.8
299.14090	0.8
303.01563	1.6
303.04892	8.1
307.10120	1.1
315.13132	1.7
316.14096	1.2
381.76797	0.9
399.15485	0.8
429.16632	1.8
446.16629	1.1
447.17679	3.8
464.16098	1.0
464.21588	2.7
465.18954	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.9
55.01875	1.8
57.03426	1.3
59.09489	1.2
60.60137	1.1
61.02931	1.1
65.03935	1.2
67.05512	2.8
67.35281	1.0
67.75624	1.1
69.03419	8.0
70.27611	4.0
71.04989	3.0
73.02929	1.1
73.04752	1.4
79.01861	2.7
79.05492	2.8
81.03408	10.2
81.07049	2.2
85.02905	22.3
91.03952	1.4
91.05454	1.8
93.07035	5.6
95.04973	3.0
95.08614	2.8
97.02892	10.9
97.87154	1.1
98.23266	1.5
99.04451	1.2
105.07043	4.7
105.50263	1.1
107.01323	2.0
107.08588	1.7
109.02872	6.6
109.06544	1.4
111.04453	2.1
113.05989	2.7
117.06979	1.3
119.08562	14.3
121.02863	1.6
121.06533	1.5
121.10137	12.5
123.08073	5.5
125.02352	2.6
127.03905	10.2
129.05470	1.1
131.08598	1.4
133.10126	2.3
137.05984	7.1
138.06284	2.3
143.03392	4.0
145.04939	8.7
145.10141	2.1
147.08005	1.1
149.09637	3.7
151.03906	14.9
151.05025	2.2
153.01819	100.0
153.02850	4.3
154.02121	1.9
159.04382	1.2
159.08066	4.4
159.11655	2.3
163.06126	1.0
167.07005	1.7
167.10654	6.3
171.02859	12.8
173.13280	6.8
181.04881	1.3
201.12749	5.2
219.13820	4.7
231.13808	4.7
237.14880	7.4
249.14844	7.4
267.15836	1.5
277.03354	2.6
285.00616	1.6
297.05981	9.5
298.11481	2.0
299.01843	1.3
302.07318	1.4
303.01306	7.4
303.04883	43.5
315.01541	1.8
315.07083	8.8
319.04529	5.3
327.01254	1.2
345.02383	1.5
361.02518	1.5
465.13736	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	464.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.6
57.02470	3.5
61.02931	4.1
65.03915	4.0
67.05466	4.3
69.03423	5.7
71.04993	6.0
71.32809	5.6
79.05489	7.4
81.07063	12.0
85.02899	15.1
93.07047	16.9
95.05006	4.4
97.16808	3.8
105.07047	6.8
107.08607	9.8
119.04962	5.5
119.08608	5.6
121.06522	4.3
121.10157	16.3
123.04410	17.9
135.04413	3.9
137.02371	5.2
137.05984	12.9
145.10130	19.1
147.04395	6.9
151.03879	31.4
153.01854	15.1
163.11160	94.8
170.06096	5.4
178.11189	3.8
190.78928	3.4
201.05573	4.9
229.05016	6.2
238.08624	21.8
261.51022	3.9
266.08099	75.8
278.08093	6.8
294.07556	4.2
301.07489	4.4
302.07422	6.6
303.01770	3.7
303.04962	100.0
306.49078	4.4
312.08716	34.1
313.08850	3.7
324.08768	7.4
465.20816	10.3
482.10260	6.6
482.68790	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	464.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.8
55.01869	3.5
55.05482	2.1
55.12431	1.8
55.72361	1.6
57.03430	3.9
61.02917	6.4
67.05496	2.0
68.12424	1.7
69.03437	13.3
70.69202	4.7
71.04977	4.1
73.02898	3.6
77.23419	1.9
79.05491	9.6
81.03407	10.6
81.07037	2.2
85.02903	45.0
85.03408	2.7
87.04467	2.1
91.03955	2.0
91.05478	7.2
93.07037	10.2
94.07365	2.1
95.04937	3.3
97.02888	13.5
99.04457	3.0
103.05459	2.3
104.19070	1.9
105.07024	91.6
106.07339	2.7
107.04951	3.1
107.08551	2.8
108.08871	1.8
109.02871	5.3
117.60381	1.7
119.04928	3.4
119.08546	2.5
120.08932	1.9
121.02864	21.2
121.10130	8.7
122.10466	6.7
123.04420	5.2
123.08125	3.7
127.03925	10.8
133.06438	2.4
135.04504	2.0
135.08029	4.0
136.07574	6.4
137.02342	3.8
137.05981	7.3
139.03864	3.6
144.95833	1.9
145.04979	15.5
147.04396	2.3
149.06021	1.9
149.09674	2.6
150.09952	3.6
153.01811	10.7
159.04395	1.7
161.05951	2.1
163.06018	8.3
165.05504	4.1
182.03549	2.0
182.08069	9.2
193.42177	2.2
201.05379	2.3
229.04985	4.3
231.09981	2.1
241.81099	1.8
253.08575	1.9
257.04419	3.5
267.12128	2.2
289.60794	1.7
303.04984	100.0
303.08466	5.0
315.04889	2.7
465.13315	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	464.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.9
53.03953	0.9
55.01866	1.2
57.03428	1.1
61.02931	2.1
67.05495	1.5
67.70545	0.7
68.44471	0.7
69.03432	5.6
69.50936	0.7
71.04999	1.8
71.31979	1.3
73.02902	1.6
73.04753	1.0
75.60618	0.7
79.05496	4.6
80.34887	0.7
81.03417	2.7
83.01367	0.8
85.02902	24.5
91.05846	1.2
95.04990	1.4
97.02891	7.7
99.04454	1.1
103.03960	1.5
103.05455	2.5
105.03394	0.9
105.07026	100.0
106.07354	3.4
109.02914	2.4
117.07051	1.3
119.04946	0.9
119.08591	0.9
121.06549	1.1
123.04488	0.9
123.08115	0.8
127.03908	6.3
133.06476	1.2
145.04951	12.9
145.06131	1.2
147.04471	1.2
149.06006	0.9
151.03934	4.6
151.07500	1.0
153.01796	5.2
153.05515	2.3
159.08105	1.2
161.06020	1.3
163.06033	4.5
167.05714	1.0
167.07039	4.6
167.08385	1.0
168.07834	2.4
171.07974	0.7
173.02330	1.1
193.08655	4.1
196.07303	3.4
201.01808	2.0
211.09634	3.9
219.02963	0.8
222.31821	0.8
227.11577	0.9
228.06610	1.0
229.01376	1.3
243.89912	0.8
247.02367	1.6
249.11366	1.1
257.00797	6.3
275.01801	4.9
285.00262	4.9
285.13278	2.7
288.08920	1.0
299.13693	1.4
303.01340	58.7
306.09579	2.2
315.13409	1.9
316.13535	1.2
324.10809	4.3
361.02530	1.5
373.13248	0.9
411.15643	1.3
429.16440	1.8
446.16135	1.5
447.17569	7.1
464.16232	1.1
464.21936	3.0
465.18640	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	464.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60171	1.1
53.03944	3.0
53.39257	1.0
55.01883	3.6
57.03441	6.8
58.72076	1.1
61.02932	7.0
65.39391	1.1
69.03429	17.7
69.66029	4.1
69.66432	1.9
71.04986	3.5
73.02927	3.1
79.05505	1.3
81.03407	8.1
81.07056	1.4
85.02902	100.0
86.03254	2.1
87.04525	1.6
91.03964	5.4
91.05460	1.7
95.05029	1.2
95.08602	1.6
97.02890	27.0
97.03490	1.6
99.04442	4.3
102.14774	1.0
103.03941	2.5
103.05465	2.2
105.03408	3.2
105.07034	23.8
109.02890	8.9
111.04438	1.3
115.03929	1.5
117.05494	34.0
123.04421	1.8
127.03906	26.9
131.04916	3.7
137.05980	3.7
139.03981	1.5
145.04956	48.8
149.05981	1.3
151.03938	1.9
152.06981	1.1
153.01872	2.3
153.05534	1.8
161.06020	2.1
162.69313	1.1
163.06021	25.2
163.07379	1.8
165.01996	1.2
167.07065	4.0
167.08505	1.5
189.09146	1.2
211.09616	1.7
215.11790	1.3
227.11844	2.1
228.12566	1.1
229.07248	1.6
229.09651	1.6
243.08777	4.4
249.07596	1.3
255.11241	2.5
269.12915	1.8
285.13300	1.5
287.13855	2.3
297.12372	2.6
299.13977	6.1
301.07233	1.8
302.07443	1.7
303.01663	2.5
303.04947	13.3
303.13300	2.8
315.13400	11.7
316.14172	5.9
375.15439	3.2
378.15277	2.7
383.15939	1.2
399.15497	3.8
411.15594	1.7
429.16693	8.6
446.16388	1.4
447.17679	18.7
464.15207	11.2
465.18771	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	464.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.3
55.01868	2.2
55.05494	1.8
56.86914	1.2
57.03443	17.1
61.02918	1.9
69.03436	8.4
69.51608	6.8
71.04994	76.3
71.08640	2.6
73.02921	4.2
73.77000	1.0
75.04481	3.4
79.05492	1.6
81.03422	4.3
81.07083	2.5
83.04984	8.0
85.02905	100.0
86.03232	1.6
87.04467	2.8
91.05491	1.5
93.07005	1.6
95.04971	2.0
97.02894	13.9
98.22514	1.3
99.04437	3.5
99.08075	5.5
103.03931	3.8
103.05509	1.6
105.06416	1.2
105.07052	5.4
107.04963	7.6
107.08602	1.4
109.02908	4.7
109.06532	1.6
111.04434	5.4
113.06075	1.1
115.03947	2.4
117.09129	29.1
119.08617	1.7
120.08155	1.4
121.02932	1.6
121.06519	1.6
123.04411	1.8
127.03928	8.5
127.07536	1.2
129.05479	38.9
130.05815	2.0
131.04904	2.8
133.04994	2.6
135.08041	9.6
135.11642	1.1
137.02353	1.7
137.05994	5.0
139.07553	9.6
145.04976	7.9
146.96140	1.2
147.04483	2.9
147.06520	18.8
147.07718	1.7
151.03918	4.1
151.07521	1.8
153.01823	4.3
161.05997	4.3
161.09618	1.4
163.07568	1.2
164.09189	4.9
166.28203	1.2
177.09079	1.2
181.08626	3.1
189.09032	1.8
191.10805	1.1
205.08553	1.2
207.06583	2.7
207.10205	1.8
231.06560	2.2
247.11810	1.4
249.07564	2.9
288.05820	1.9
289.12872	3.1
303.05026	15.6
388.28891	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.6
53.84047	0.4
55.01858	2.6
57.03433	4.3
61.02922	9.8
69.03426	16.2
69.39502	2.3
71.04998	1.8
73.02930	2.7
79.05503	0.4
81.03420	6.6
81.07102	0.3
85.02900	100.0
85.18105	0.3
86.03233	1.2
87.04480	2.3
91.03954	5.3
92.04775	0.4
97.02891	25.3
99.04441	3.8
101.02377	0.7
103.03899	0.6
105.03404	0.7
105.07023	6.6
109.02875	9.6
111.09750	0.3
115.03916	1.1
119.08562	0.9
126.81319	0.3
127.03911	24.2
128.04303	0.5
145.04950	47.8
146.05292	0.7
147.08057	1.4
162.05492	0.4
163.06013	22.9
180.06383	0.6
180.08612	0.5
189.09085	0.5
201.09123	0.6
223.87973	0.4
231.10162	0.7
243.08795	1.4
244.09601	0.9
249.11281	0.5
285.13339	2.1
289.09158	0.4
303.04691	0.6
303.13351	0.6
315.13385	0.6
325.11404	0.9
375.15125	0.4
378.15506	0.5
380.25897	0.4
385.60376	0.4
399.15442	0.4
429.16641	1.0
447.17868	1.8
464.15399	5.5
464.21948	2.5
465.18546	1.3
473.80121	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20121	1.5
53.03930	2.6
55.01870	2.3
55.05526	3.4
57.03432	9.3
67.05502	2.9
67.93700	1.5
69.03436	6.6
69.25855	12.8
71.01385	1.7
71.04991	59.9
73.02927	2.2
74.94955	1.4
75.04476	4.0
77.76697	1.4
79.05493	11.7
81.03434	2.9
81.07069	4.8
83.04990	7.1
85.02905	71.9
91.05449	3.6
93.07047	24.3
95.04958	3.4
95.08596	20.1
96.17477	1.8
97.02895	2.7
105.07036	2.1
107.04953	3.6
107.08611	3.4
109.02884	2.2
111.04494	3.6
119.08617	2.8
121.10142	43.1
121.10970	2.9
121.84338	1.6
125.09565	1.6
127.03934	3.4
129.05473	30.5
135.04483	1.7
135.08125	1.9
137.02357	4.9
137.05977	4.6
137.09654	4.0
147.06529	14.9
149.05972	3.1
150.65718	1.4
151.03935	6.8
153.01790	10.4
153.05380	1.8
161.05975	1.5
163.11197	6.8
164.09224	5.4
165.01888	3.8
167.07172	2.1
175.11243	1.7
176.05106	1.5
177.05482	4.9
182.02675	3.5
201.05515	3.9
205.12187	2.9
229.04973	5.1
249.14795	2.1
254.42357	1.6
255.08609	2.1
257.04498	2.5
267.15927	3.0
274.04813	2.1
283.14926	2.2
285.00461	2.4
285.03854	2.2
286.00546	3.2
294.08548	1.6
303.04968	100.0
315.01581	1.6
317.02969	3.2
318.03250	7.7
464.30005	2.9
465.14087	2.3
472.61792	1.7
485.89822	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.0663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.2
55.01855	0.2
57.03414	0.4
61.02927	0.3
69.03431	1.9
71.04989	0.6
72.38088	0.1
73.02909	0.2
79.05491	0.2
81.03419	0.7
83.04972	0.2
85.02901	4.1
87.04454	0.3
89.03930	0.3
91.03946	0.2
91.05466	0.2
95.08634	0.1
97.02885	2.5
98.00281	0.1
99.04448	0.5
105.06989	0.1
107.04958	0.4
109.02859	0.7
117.03374	0.2
121.02845	0.2
123.04415	0.5
124.03938	0.1
127.03893	0.8
129.05447	0.3
137.05989	0.2
139.03806	0.1
144.13834	0.2
145.02870	0.4
145.04973	0.8
147.04379	0.5
150.28271	0.1
151.03886	1.2
153.01782	0.7
157.02879	0.4
158.31523	0.1
163.03917	0.3
163.39122	0.1
172.07748	0.2
173.02342	1.3
175.03870	0.5
181.04973	0.4
182.98065	0.1
185.02316	0.5
189.01810	0.2
191.03415	0.5
201.01811	3.3
202.02119	0.3
202.47383	0.2
203.03389	0.7
205.04747	0.3
207.02939	0.4
213.01840	0.8
217.01372	0.6
219.02832	0.8
225.05756	0.1
228.06467	0.2
229.01318	3.7
229.08618	0.2
230.01598	0.2
231.02847	1.4
241.01218	0.7
247.02383	3.7
248.02829	0.2
257.00797	11.3
258.01172	0.7
259.02325	1.5
269.04376	0.1
275.01837	10.1
276.02179	0.4
285.00281	9.7
286.00784	0.7
288.08749	0.4
299.01822	0.3
303.01321	100.0
304.01660	5.5
306.09680	0.5
315.01340	0.3
321.02380	0.2
324.10742	1.1
344.03806	0.2
345.02350	0.4
390.52676	0.1
463.61002	0.2
465.06302	0.3
465.16962	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.1
55.01855	0.2
57.03431	0.1
61.02913	0.2
65.03925	0.3
67.01847	0.1
67.05494	0.2
68.99787	1.0
69.03420	0.5
70.34676	0.3
71.04988	0.8
72.05318	0.2
74.30755	0.1
79.05473	0.2
81.03416	0.6
81.07090	0.1
83.04939	0.1
85.02900	2.2
86.03217	0.1
87.04448	0.1
91.03967	0.1
91.05472	0.2
93.03391	0.5
93.07012	0.4
95.04985	0.5
95.08589	0.3
97.02874	0.4
99.04411	0.1
105.06997	0.2
107.04951	0.1
107.08556	0.1
109.02863	0.9
111.00796	1.1
111.04426	0.2
117.06988	0.1
121.02867	1.2
121.10147	0.6
122.10477	0.2
123.04472	0.5
123.45512	0.1
127.03911	0.5
129.05464	0.4
129.06973	0.1
130.05775	0.1
131.04919	0.1
135.04375	0.3
137.02341	4.3
137.03374	0.2
137.05968	0.2
137.09633	0.2
138.02707	0.1
139.03888	0.1
145.04961	0.2
145.06471	0.3
147.04402	0.1
147.06453	0.2
149.02391	0.6
151.03922	0.4
153.01820	5.5
154.02145	0.2
155.04915	0.3
157.06494	0.1
159.04483	0.1
161.05971	0.4
163.03893	0.8
165.01828	2.7
166.02614	0.3
171.03099	0.1
173.05919	0.6
177.05501	0.2
179.03308	0.2
183.02878	1.0
183.04410	0.3
187.03894	0.5
189.05653	0.1
191.03322	0.2
191.06937	0.2
194.02037	0.1
195.02878	0.3
200.49872	0.1
201.05438	2.3
205.04922	0.3
211.03955	0.2
213.05481	0.2
215.03287	0.2
219.02905	0.2
219.06563	0.3
228.04163	0.3
229.04948	6.0
230.05228	0.3
233.04373	0.2
239.03415	0.2
247.06013	0.7
253.23535	0.1
257.04431	3.9
258.05005	0.1
274.04764	0.9
275.05408	0.4
285.03912	1.7
286.04449	0.1
303.04956	100.0
304.05316	5.2
424.91559	0.1
445.90329	0.1
465.10043	1.6
466.10330	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1026
Annotation	Spiraeoside
Peak:m/z	Relative Intensity
53.03943	0.1
54.70896	0.2
57.03425	0.3
61.02920	0.2
67.01866	0.7
68.99794	0.4
69.03440	0.7
73.02914	0.2
79.05527	0.2
81.03446	0.3
82.86509	0.1
85.02898	0.8
91.05438	0.2
93.07058	0.1
95.05009	0.2
95.08569	0.2
97.02896	0.3
102.69882	0.1
107.04939	0.2
109.02872	0.5
123.04440	0.2
127.03893	0.4
133.02847	0.4
137.06004	0.5
138.62773	0.1
147.04442	0.2
149.05978	0.1
151.03909	3.9
151.05000	0.2
151.07480	0.3
153.01820	7.9
154.02116	0.2
161.05981	0.2
167.06992	0.4
171.02861	0.4
173.05968	0.2
174.06761	0.2
175.07468	0.3
177.01874	0.5
181.08575	0.4
189.09134	0.4
201.05493	0.3
203.03381	1.0
229.04987	0.8
257.04449	2.1
285.03897	1.1
287.05539	0.4
288.05887	0.3
289.05978	0.3
297.11197	0.2
301.28220	0.1
302.04263	0.4
303.04962	100.0
304.05301	5.7
315.11826	0.2
317.27823	0.2
360.15732	0.2
361.16321	0.3
465.10104	15.0
465.15323	1.2
466.10590	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1027
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
54.13487	0.1
55.01847	0.3
57.03431	0.2
63.52089	0.1
65.03934	0.3
67.05489	0.2
68.99780	0.8
69.03407	0.5
71.04986	0.7
75.37087	0.1
79.05495	0.1
81.03410	0.5
83.05003	0.1
85.02894	2.0
87.04461	0.2
91.05472	0.1
93.03402	0.3
93.07025	0.4
95.04947	0.4
97.02894	0.4
104.43279	0.1
109.02837	0.9
110.03665	0.1
111.00789	1.1
121.02860	1.1
121.10139	0.4
123.04436	0.3
127.03941	0.6
129.05478	0.3
131.04964	0.2
135.04422	0.3
137.02332	4.3
137.05969	0.2
142.58311	0.1
145.02907	0.1
145.04935	0.2
145.06477	0.3
147.06453	0.2
149.02330	0.7
151.03893	0.3
153.01813	5.7
155.04880	0.4
159.04364	0.1
161.05986	0.6
163.03908	0.9
165.01836	2.3
166.02702	0.3
173.05988	0.7
177.05524	0.2
179.03362	0.2
183.02866	1.3
183.04425	0.5
187.03894	0.4
191.03462	0.2
195.02890	0.3
201.05449	2.5
205.04892	0.2
207.02872	0.1
211.03885	0.1
213.05450	0.3
215.03471	0.1
219.06503	0.3
228.04184	0.4
229.04942	5.9
230.05286	0.3
232.03563	0.2
239.03421	0.2
245.04514	0.2
247.05984	0.9
257.04395	3.5
258.04865	0.2
258.73117	0.1
269.17526	0.2
274.04691	1.0
275.05359	0.3
285.03940	1.5
303.04947	100.0
304.05276	5.6
465.10086	1.3
466.10599	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1024
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
50.58089	0.9
57.03424	1.0
61.02929	5.8
61.51334	0.9
61.83986	0.9
62.93134	0.8
69.03460	1.5
69.67634	3.9
71.04982	2.9
73.02922	2.1
85.02906	9.6
91.03957	4.0
95.04999	1.1
97.02879	2.3
107.04932	1.2
121.02869	1.9
122.18533	0.9
127.03893	1.5
131.04898	1.1
137.02356	5.3
153.01816	6.7
156.46065	0.9
161.04683	1.6
161.05978	21.5
161.09563	5.5
165.01842	1.4
167.07034	3.5
169.03786	0.9
174.06750	1.0
175.07532	1.7
177.05356	0.9
181.08580	2.0
189.09109	11.1
191.07043	1.4
201.05473	2.2
207.10144	16.0
229.04939	6.1
247.05908	1.1
257.04419	2.3
269.39713	0.9
285.03848	1.6
303.04965	100.0
304.05301	4.3
317.13828	1.9
319.04517	10.3
361.16498	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	465.1027
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
55.01869	0.3
59.78516	0.1
65.03933	0.4
67.05496	0.2
68.69835	0.1
68.99780	1.0
69.03419	0.5
69.07146	0.1
71.04974	0.1
79.05480	0.2
81.03407	0.7
85.02926	0.5
89.06025	0.4
91.05469	0.2
93.03397	0.4
95.04961	0.6
95.08631	0.1
97.02882	0.6
98.23430	0.2
107.04961	0.3
109.02894	0.9
111.00804	1.3
111.04440	0.2
113.05952	0.1
119.05025	0.2
121.02871	1.5
122.03268	0.1
123.04426	1.5
126.80646	0.1
127.03914	0.6
129.06940	0.1
131.04898	0.2
133.06461	0.2
135.04463	0.5
135.05406	0.1
137.02341	4.6
137.03349	0.2
137.05984	0.5
138.36484	0.1
139.03883	0.4
145.06483	0.4
145.20029	0.1
147.04381	0.2
149.02348	0.6
149.06000	0.2
151.03918	0.3
153.01826	6.2
155.04877	0.3
157.06589	0.2
161.05965	0.5
163.03905	1.2
163.07684	0.1
165.01830	2.9
166.02542	0.5
167.03470	0.2
167.07027	0.3
173.05966	0.9
177.01907	0.1
177.05470	0.4
179.03401	0.3
181.08533	0.1
183.02867	1.2
183.04393	0.4
187.03922	0.7
191.03360	0.4
191.06990	0.1
195.02930	0.4
201.05482	2.7
205.04919	0.3
207.02863	0.2
211.03941	0.3
213.05550	0.2
215.03224	0.1
217.99731	0.1
219.02875	0.3
219.06551	0.4
228.04155	0.3
229.04967	6.6
230.05334	0.2
239.03491	0.2
247.06004	0.9
257.04440	4.1
258.04745	0.2
261.04016	0.1
271.06006	0.2
272.06628	0.2
274.04767	1.2
279.05029	0.2
285.03949	1.7
286.04434	0.1
303.04968	100.0
304.05322	5.3
304.08835	0.2
315.04965	0.2
323.56760	0.1
465.10303	0.5
465.19730	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1027
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
53.03932	0.2
55.01880	0.1
59.39898	0.1
59.84520	0.1
65.03935	0.3
68.99784	0.8
69.03422	0.1
78.24877	0.1
80.13705	0.1
81.03398	0.4
85.02880	0.2
89.06055	0.1
93.03397	0.4
95.04958	0.4
96.92568	0.1
98.22534	0.3
107.04955	0.3
109.02880	0.8
111.00790	0.9
117.07037	0.2
121.02859	1.5
123.04425	0.5
127.03896	0.3
135.04378	0.4
137.02336	4.5
137.03294	0.2
137.05927	0.3
139.03838	0.1
145.06473	0.3
148.13060	0.1
149.02368	0.3
149.05945	0.1
153.01822	5.4
153.03093	0.3
155.04916	0.2
161.05988	0.4
163.03911	1.0
165.01843	2.7
166.02525	0.4
167.07002	0.2
173.06000	0.7
177.05457	0.1
179.03447	0.2
183.02881	0.9
183.04431	0.4
187.03905	0.5
191.03419	0.2
195.02788	0.2
201.05460	2.3
205.04987	0.3
207.03046	0.2
215.03389	0.2
219.06529	0.4
228.04167	0.4
229.04951	5.5
230.05273	0.2
239.03377	0.2
247.05983	1.0
257.04431	3.5
271.06131	0.2
274.04858	0.9
275.05411	0.3
285.03955	1.4
286.04529	0.2
303.04968	100.0
304.05313	5.1
304.08847	0.2
465.10281	0.5
465.19257	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1029
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
52.91591	0.1
53.03938	0.6
54.24236	0.1
55.01868	0.4
55.05507	0.3
57.03447	0.8
61.02638	0.2
61.02931	2.7
65.03938	0.5
67.05500	0.5
68.99785	0.9
69.03429	2.4
69.07072	0.2
69.87354	0.2
70.06596	0.2
71.05006	1.0
72.58826	0.2
73.02917	1.0
73.31680	0.2
79.05473	0.6
81.03412	1.8
81.07090	0.4
83.01332	0.3
85.02907	8.7
85.06564	0.2
87.04475	0.3
91.03955	1.4
91.05478	0.6
93.03421	0.4
93.07027	0.5
95.04969	0.7
95.08606	0.3
97.02899	3.6
98.23425	0.4
99.04458	0.4
103.05472	0.2
105.07034	0.6
106.66936	0.2
107.04962	0.4
107.08675	0.2
109.02895	1.7
109.06510	0.2
109.10131	0.3
111.00816	1.3
115.03915	0.2
117.07014	0.4
119.04936	0.2
121.02878	1.6
121.06493	0.3
121.10123	0.2
123.04430	0.7
127.03928	1.7
131.04861	0.2
133.06494	0.3
135.04353	0.4
137.01299	0.2
137.02350	4.5
137.05986	0.6
137.09604	0.2
140.82870	0.2
145.04922	1.4
145.06485	0.2
147.04391	0.4
149.02338	0.8
149.06033	0.2
151.03897	0.5
153.01831	5.2
154.02246	0.2
154.04950	0.4
155.04915	0.6
160.06340	0.2
161.05998	0.8
163.03917	0.8
163.07503	0.3
165.01817	2.5
166.02563	0.4
167.07082	0.2
169.01404	0.3
173.06010	0.8
175.07564	0.2
177.05516	0.2
177.09186	0.3
183.02859	0.8
183.04413	0.5
187.03914	0.4
191.03493	0.2
195.02812	0.2
201.05475	2.4
203.03409	0.3
205.04747	0.3
213.05560	0.2
219.06627	0.2
227.08453	0.8
228.04163	0.3
229.04974	6.0
230.05412	0.3
245.04384	0.3
247.06134	0.8
251.06786	0.2
253.08736	0.2
257.04449	3.2
258.04678	0.2
274.04828	0.9
275.05432	0.3
285.03967	1.4
303.04984	100.0
304.05310	5.9
315.04886	1.2
319.04565	0.4
327.04871	0.4
345.06134	1.2
369.06094	0.5
371.12482	0.2
411.06726	0.2
429.08414	0.2
447.09351	0.3
465.14368	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1027
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
53.03942	0.7
55.01860	0.5
55.05496	0.2
57.03426	1.0
61.02927	2.1
65.03941	0.5
67.05504	0.4
68.99772	0.6
69.03423	3.2
69.33949	1.2
71.04977	0.9
73.02921	0.9
73.74008	0.2
79.05477	0.5
81.03410	2.0
81.07040	0.5
82.17352	0.2
83.01302	0.2
83.04975	0.2
83.44982	0.2
85.02905	8.9
85.41284	0.2
86.03235	0.2
87.04441	0.4
91.03951	0.9
91.05477	0.4
93.03381	0.5
93.07040	0.5
95.04946	0.5
95.08585	0.4
97.02890	3.3
99.04462	0.6
105.03378	0.2
105.07023	0.7
106.07326	0.2
107.04935	0.3
107.08588	0.3
109.02869	1.5
109.06522	0.2
109.10113	0.2
111.00798	1.2
111.04508	0.2
115.03950	0.2
115.27000	0.2
118.45204	0.2
119.04945	0.2
119.08535	0.2
121.02856	1.7
121.06529	0.3
121.10062	0.2
122.03171	0.2
123.04423	0.9
127.03915	1.8
129.05505	0.2
131.04955	0.2
131.08629	0.2
133.06534	0.2
135.04440	0.4
137.02339	4.3
137.05948	0.5
139.03894	0.3
145.04967	1.6
145.06477	0.3
147.04396	0.4
149.02341	0.6
149.05983	0.3
151.03917	0.5
151.30475	0.2
153.01828	5.4
154.05005	0.2
155.04871	0.3
159.04465	0.2
161.05984	0.5
163.03934	1.2
165.01823	2.7
165.05537	0.3
166.02596	0.3
167.03369	0.2
169.01309	0.5
173.06013	0.5
175.07439	0.2
175.65291	0.2
183.02879	1.0
183.04391	0.4
187.03908	0.6
191.03419	0.3
191.07025	0.2
195.02885	0.3
201.05476	2.2
219.02888	0.3
219.06465	0.4
227.08470	0.6
228.04219	0.2
229.04962	5.4
247.06075	0.9
257.04428	3.1
274.04721	1.0
275.05435	0.4
285.03897	1.2
303.04974	100.0
304.05310	5.9
315.04858	1.0
319.04321	0.4
345.05991	0.8
353.11649	0.3
369.05920	0.4
447.09097	0.4
465.14047	1.2
468.10144	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1367
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62116	0.3
51.57916	0.3
52.78094	0.3
53.03934	0.3
54.37586	0.3
66.72153	0.3
67.05499	0.4
69.07079	0.6
69.22668	0.6
69.23055	2.7
79.05410	0.3
80.79108	0.3
81.07041	0.5
85.02871	0.7
91.05420	0.3
93.07020	0.7
95.08612	0.6
97.02849	0.4
109.10114	0.5
117.82021	0.3
121.06489	0.3
127.00044	0.8
128.36105	0.3
133.10194	0.4
136.94565	0.3
137.05928	0.6
145.10204	0.4
149.05838	0.3
151.03926	1.1
153.01823	0.4
167.03180	0.8
185.04181	0.4
186.41226	0.4
193.08615	0.4
201.05219	5.0
216.07564	25.5
217.08340	13.8
218.08719	0.5
227.05258	2.4
240.20303	0.5
271.04202	4.6
274.33984	0.3
276.03629	0.3
303.01422	0.5
330.10724	0.4
345.71298	0.4
379.13583	5.4
390.12814	0.5
391.13345	0.8
403.13541	0.8
421.14667	49.2
422.15012	3.7
434.11914	0.9
465.13647	100.0
466.14017	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	465.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18907	2.2
53.03946	6.4
55.01859	4.1
55.05515	17.4
57.03438	3.8
65.03951	5.7
67.05499	8.5
69.03437	25.2
69.07068	7.7
69.14532	15.5
69.14963	8.7
71.04997	4.1
75.04469	3.0
79.05505	13.1
79.71301	2.8
81.03416	31.5
81.07050	17.7
82.06558	2.9
83.04989	8.2
83.08612	7.9
85.02925	15.2
85.06553	2.9
91.05468	19.1
93.07047	63.1
95.04990	7.7
95.08602	19.4
97.02900	7.1
97.10180	8.3
99.04433	5.5
100.11259	22.1
101.35065	2.4
103.05515	6.2
105.07030	23.6
107.04996	5.3
107.08611	13.4
109.02881	15.0
109.06562	5.5
109.10172	13.2
111.04446	7.1
117.07016	3.2
119.08595	35.8
121.02859	16.8
121.06502	5.7
121.09267	4.7
121.10148	87.3
123.04372	4.4
123.11716	3.4
125.09664	3.2
127.03942	6.2
130.51617	2.7
131.08568	6.8
133.06557	2.9
133.10132	4.4
135.11671	5.3
137.02393	4.1
137.05984	9.5
137.09694	4.1
139.11205	3.8
145.10117	6.7
147.04413	8.2
147.11668	4.0
149.02319	19.1
149.06004	3.8
149.09612	25.7
151.03876	4.3
151.07509	5.7
153.01901	2.8
160.72168	2.5
161.05988	4.2
161.13159	3.4
163.03903	7.7
163.07498	3.2
165.09116	3.4
167.03403	100.0
167.10701	18.3
168.03737	4.1
181.04814	2.6
182.15399	6.1
184.06285	2.9
189.05473	37.3
206.04434	3.7
207.06525	21.9
210.14894	6.6
219.06641	3.3
229.08611	52.8
247.09747	7.4
257.11713	37.1
275.12778	13.2
281.18427	3.2
285.11200	15.7
288.05237	3.5
293.14053	4.9
301.06940	3.8
303.04965	10.5
303.07956	7.4
303.12280	12.1
311.12769	4.0
400.80353	4.2
401.30338	3.7
447.16745	7.8
455.32422	5.7
455.83246	9.4
464.33389	13.1
464.83517	32.9
465.17587	8.5
465.28409	8.4
465.34363	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	465.1908
Annotation	C-3'-Methoxylrocaglaol
Peak:m/z	Relative Intensity
51.27002	0.6
53.03937	2.4
55.01853	3.0
55.05265	0.8
55.05506	11.9
57.03434	7.5
57.48028	0.7
65.03931	2.5
66.04714	0.9
67.05501	28.6
69.03419	2.2
69.06726	0.7
69.07064	7.8
70.84354	1.6
71.01334	1.9
71.04983	3.8
73.95238	0.7
77.03915	0.9
79.05486	27.4
81.03411	21.7
81.07053	19.7
83.04977	7.3
83.08613	8.3
85.02896	9.3
85.06539	2.1
88.91493	0.7
91.05473	30.1
93.07038	24.9
94.04185	4.7
95.04961	13.7
95.08595	8.4
97.02884	0.7
97.06521	5.1
97.10167	6.2
99.08098	1.4
103.05460	25.3
105.04501	1.0
105.07018	24.9
106.07302	0.7
107.04952	5.7
107.08585	14.6
109.02821	0.7
109.06503	4.2
109.10168	4.1
111.04439	1.8
111.08092	4.2
113.06020	1.2
115.05445	6.0
117.06992	4.3
119.04937	5.3
119.08584	8.2
121.06483	3.0
121.10136	6.8
122.03632	9.2
123.04424	2.0
123.08109	2.3
124.05222	1.9
125.05984	0.8
125.09593	1.6
127.07623	0.9
128.06226	3.5
129.07013	5.1
131.03970	1.2
131.04915	15.1
131.08569	6.0
132.05705	0.8
133.05643	0.6
133.06488	15.6
133.10098	4.4
135.08047	2.8
135.11688	17.4
137.05965	100.0
137.09535	1.7
138.06314	3.3
139.07504	0.9
141.06967	1.5
143.04929	3.3
143.08557	4.0
144.05656	1.3
145.06502	1.9
145.10098	5.1
147.04422	2.2
147.08032	1.5
147.11664	5.0
148.05136	4.3
149.05966	5.0
149.09628	2.1
149.13223	1.0
151.03909	2.2
151.07533	22.1
152.06131	1.7
152.07860	1.1
153.06970	2.1
155.05975	0.8
157.06453	1.3
157.10094	5.4
159.04416	3.0
159.08051	2.8
159.11728	1.0
160.05132	3.3
161.06003	5.3
161.09639	0.9
161.13185	0.8
163.07533	14.5
163.11098	3.5
164.08286	3.0
165.06927	1.8
165.09105	31.9
165.12726	1.0
166.07756	1.1
166.09384	0.9
167.08528	1.0
171.08087	3.3
173.05927	0.9
175.07538	9.6
175.11124	4.8
175.14874	0.8
177.05559	1.1
177.06992	2.3
181.06459	1.9
181.12239	1.9
182.07230	0.9
183.08122	0.8
187.07521	4.7
189.09108	2.2
191.07051	0.9
191.08539	1.0
193.12219	18.7
195.08058	3.8
199.07533	7.3
201.08992	1.0
202.07750	1.5
203.06998	1.5
205.06511	4.5
206.07190	0.8
207.08023	0.9
210.06676	1.3
211.13268	19.5
211.15121	1.4
213.09195	0.8
217.10223	1.3
219.08102	1.3
221.06039	1.5
221.09695	1.1
222.06700	0.9
223.07506	7.4
224.08330	0.8
225.09081	2.3
233.06056	1.2
233.09569	1.1
234.06702	1.4
234.10362	0.9
235.07603	1.4
235.11137	1.0
237.09004	1.7
238.09782	0.9
239.07077	1.9
239.10623	1.7
240.07788	2.4
241.08423	1.9
245.09660	4.3
247.07277	1.5
248.08429	1.4
249.09164	1.3
251.07011	12.7
251.10643	1.3
252.07640	2.0
253.08586	2.7
255.10109	2.3
255.15851	1.5
259.09634	1.1
261.08990	1.5
262.09915	3.1
263.06998	1.0
263.10635	2.8
265.08423	3.6
266.09192	1.1
267.10052	1.5
267.15878	1.6
268.07428	1.1
269.08105	2.6
271.09735	0.9
273.08939	3.5
274.09802	1.3
275.07208	0.9
277.08713	1.4
277.12286	2.2
278.09293	0.9
279.10123	1.3
280.11063	1.4
281.11703	1.5
283.09619	17.0
284.10284	2.9
285.11212	1.2
290.09363	3.4
291.09973	3.6
293.08008	2.1
293.11438	0.9
294.08875	2.1
295.10056	1.3
295.13269	3.1
296.10349	1.0
305.11658	8.5
308.10461	3.0
309.11185	2.2
311.12805	5.6
313.14313	2.2
323.12781	19.7
324.13358	3.0
327.12344	4.7
328.13080	0.8
341.13889	5.2
357.11157	1.1
371.12952	1.0
385.10709	1.1
397.14084	1.0
400.13052	2.1
401.17603	1.1
403.02658	0.8
415.15466	0.9
418.14087	1.8
429.16931	2.0
432.15579	1.5
435.17914	5.7
447.18015	31.7
447.27411	1.9
448.18295	2.4
465.19052	2.6
465.28806	20.6
466.29211	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.9
53.03952	2.5
55.01871	3.7
55.05510	6.4
57.03437	0.6
57.07080	0.9
59.04990	0.5
65.03931	3.4
67.05504	5.4
68.99783	0.9
69.03422	6.0
69.07063	6.2
71.01363	0.8
71.05016	1.1
71.33018	0.6
74.00981	0.4
77.03918	0.9
78.04752	0.4
79.05492	11.9
81.03420	7.0
81.07054	13.2
83.04980	2.4
83.08612	1.4
85.02915	1.7
85.06538	1.3
89.03918	0.6
91.05480	34.1
92.05810	0.8
93.03413	0.5
93.07045	11.9
93.07602	0.9
94.04185	3.6
95.04963	10.4
95.08603	8.3
96.72846	0.4
97.02901	1.3
97.06541	2.8
97.10174	4.7
99.04449	1.6
103.05467	29.8
105.03435	0.7
105.04516	1.0
105.07029	18.6
106.07394	0.5
107.04955	5.5
107.08592	7.8
109.02864	3.7
109.06522	7.1
109.10151	5.7
110.50668	0.5
111.04428	2.3
111.08076	1.7
111.11723	0.7
112.01579	1.6
113.02369	0.5
115.05456	11.6
117.03362	0.6
117.07018	8.6
119.04941	17.6
119.08578	6.1
120.05234	0.5
121.02860	1.4
121.05600	0.9
121.06502	18.1
121.10144	6.2
122.03638	7.5
122.06816	0.7
122.10482	0.5
123.04433	13.5
123.08063	2.4
123.11691	2.9
125.02345	0.5
125.06003	1.0
125.09626	1.9
127.03926	8.6
128.06206	2.9
129.06976	3.3
131.03944	1.1
131.04922	16.7
131.08559	3.6
132.05714	0.6
133.06491	7.4
133.10115	4.1
134.03535	0.8
135.04372	3.1
135.08060	6.1
135.11688	3.7
136.05219	2.2
137.05975	100.0
137.13177	0.5
138.06317	2.4
139.03896	1.6
139.11192	1.2
141.07004	1.9
141.09084	0.7
142.07800	0.9
143.04919	8.9
143.08571	5.9
143.10596	0.5
144.05678	0.8
145.06485	9.3
145.10121	4.6
145.18379	0.4
146.03639	1.6
147.04395	5.1
147.08051	2.1
147.11678	3.5
148.05212	2.4
149.05977	30.7
149.09618	1.8
149.13231	2.3
150.06354	0.5
151.03990	3.9
151.07541	59.3
152.06198	1.3
152.07866	2.1
153.01881	0.7
153.05467	5.2
153.06953	1.7
155.03392	14.4
155.06000	0.8
155.08578	1.2
156.09306	0.6
157.06439	2.4
157.10156	2.2
157.12212	0.9
158.03746	0.5
158.07283	1.8
159.04402	0.8
159.08037	2.2
159.11707	3.5
160.05200	2.1
161.05977	46.2
161.09589	1.8
161.13252	1.7
162.06409	2.1
163.07541	21.2
163.11195	1.4
164.08199	0.8
165.05739	0.6
165.07054	3.0
165.09116	8.6
165.12727	0.9
166.07780	0.8
167.07050	4.3
167.08556	2.0
169.06474	1.4
169.10120	1.4
170.07391	0.6
171.08061	4.6
171.11719	1.1
172.05292	0.5
172.08861	3.9
173.05960	2.0
173.09592	2.1
173.13237	1.5
174.06776	0.9
174.10385	0.5
175.07535	12.3
175.11156	1.2
175.14838	1.4
177.05505	0.9
177.06941	0.9
177.09117	4.1
177.12762	0.6
177.16487	0.6
178.07806	1.4
179.07031	6.5
179.08563	2.3
181.06427	2.5
181.10121	1.1
181.12305	0.5
182.07236	1.9
183.08017	1.7
183.11642	0.5
185.06001	0.9
185.09615	0.9
185.13248	1.2
186.06741	1.4
186.10390	8.6
187.07556	2.8
187.11165	8.3
187.14859	1.4
188.08357	3.1
189.07040	0.8
189.09102	3.3
189.16275	0.6
190.07707	1.0
190.43774	0.5
191.08577	1.2
191.14278	0.5
192.09253	1.0
193.06520	0.6
193.10094	1.2
194.07353	1.0
195.08046	4.0
195.11781	0.6
196.08865	1.2
197.05986	1.5
197.09657	1.4
197.13239	0.7
198.06750	1.3
199.07545	1.6
199.14893	0.7
201.09067	4.0
201.16273	0.5
202.07785	2.5
202.09650	1.0
203.08534	1.7
203.10663	5.6
205.06537	2.6
205.10181	0.6
205.15874	0.6
206.07205	0.9
207.08052	2.7
208.08733	0.6
209.06029	0.9
209.09732	2.3
210.06763	1.4
211.07579	5.4
211.11136	0.5
212.08269	1.0
213.05489	0.7
213.09065	2.2
214.06216	0.5
215.06990	1.3
217.10127	1.8
218.07245	1.0
219.08023	3.8
220.08830	0.9
221.06090	2.1
221.09587	1.3
222.06764	1.0
223.07550	4.6
224.08310	2.8
225.05576	1.1
225.09131	5.1
225.16393	0.6
226.06197	0.9
226.09824	0.6
227.06995	1.1
229.08572	1.2
231.08179	2.8
232.08730	0.8
233.05998	1.4
233.09676	2.6
234.06696	1.8
234.10324	0.7
235.07530	5.5
235.11151	2.4
236.08191	1.1
237.05444	1.1
237.09183	3.2
238.09842	1.9
239.07004	3.9
239.10585	2.2
240.07719	1.9
241.08545	2.9
241.15733	0.6
242.05650	0.6
243.06445	2.4
243.10107	1.3
245.09691	3.6
247.07472	3.5
248.08368	3.1
249.09085	4.5
250.06223	1.2
250.09778	1.0
251.07013	5.6
251.10657	1.6
252.07640	2.3
252.11369	0.6
253.08594	5.6
253.11455	0.5
253.12257	0.5
254.09364	4.0
255.10129	1.9
257.07959	3.3
259.07458	1.0
261.09143	3.8
262.06531	0.5
262.09818	3.4
263.07251	2.7
263.10651	6.4
264.07813	1.2
264.11404	0.8
265.08588	9.8
265.11343	0.4
266.09244	2.6
267.06638	1.0
267.10135	7.1
268.07303	1.1
268.10828	2.3
269.08084	3.8
269.11304	0.6
270.08792	1.3
271.09692	3.9
273.09326	2.3
274.09985	0.7
275.09067	2.6
275.23428	0.5
276.07681	2.3
277.08588	8.2
277.12201	3.8
278.09262	1.8
278.12488	0.6
279.06970	0.7
279.10150	3.4
279.13147	0.7
280.07831	0.5
280.10788	2.5
281.08121	1.2
281.11722	3.0
282.08844	1.0
282.12317	0.8
283.09613	9.1
284.10388	5.1
285.11252	4.6
285.22073	0.7
286.11960	2.0
289.10855	2.7
290.09384	0.8
291.10123	10.9
292.10767	1.8
293.08044	2.3
293.11594	3.1
294.08835	3.8
294.12039	0.7
295.09634	4.9
295.13239	3.9
296.10324	1.6
297.11292	6.1
298.12018	4.9
299.12793	5.5
301.10489	0.6
303.05038	0.9
303.23141	2.3
305.11719	7.2
306.12247	0.7
308.10483	5.0
309.11188	7.7
309.14560	0.8
310.11884	3.7
310.15598	4.7
311.12961	3.9
311.16031	1.0
312.13779	2.1
313.10669	0.7
321.24127	0.8
322.09506	0.6
323.12799	12.1
324.13568	4.1
325.14224	1.6
326.15240	0.7
336.11292	0.5
337.14752	2.3
339.10019	0.7
340.10583	0.6
341.13977	2.1
353.11731	0.6
354.12485	1.3
355.13138	1.6
365.11554	1.0
368.10089	0.5
369.14713	0.8
371.12738	1.0
381.11273	0.5
382.12057	0.8
383.12595	1.5
385.10349	0.8
386.11472	1.0
387.15875	1.4
397.14297	2.0
399.12155	0.9
400.13083	1.4
401.13385	0.6
411.24982	0.5
415.15439	11.0
416.16061	0.8
419.18112	0.9
419.29321	0.7
429.16830	1.9
429.26157	0.9
432.15552	1.1
435.17841	1.0
447.18024	33.6
447.26740	2.2
448.18323	3.5
465.19165	9.9
465.29160	6.5
466.19415	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	2.3
62.15282	0.8
67.05479	0.9
71.04992	9.7
71.19680	1.0
72.78085	0.6
79.05484	2.2
85.02905	10.1
91.05466	7.3
93.07037	2.1
95.04937	1.2
103.05470	2.9
105.07022	3.5
105.13051	0.7
107.04954	5.9
111.00780	1.1
111.04512	0.8
115.05413	0.7
116.06213	0.9
117.06985	1.1
118.02621	0.7
119.04927	2.6
119.08540	0.9
120.08125	0.7
121.06496	3.0
122.87957	0.7
123.04435	3.0
128.06210	1.7
129.05457	2.5
129.07018	5.8
131.04915	8.4
131.08531	2.8
132.05208	0.9
133.06488	1.2
133.10094	1.6
135.04431	0.8
135.08046	0.8
137.02377	0.9
137.05975	2.4
140.04723	1.3
144.05687	1.0
146.07260	4.6
147.04378	1.5
147.06496	0.9
147.08092	1.1
148.05190	3.9
149.05995	1.7
149.09642	0.7
151.03882	6.8
151.07536	3.7
153.01825	13.6
153.02995	1.1
153.05428	2.1
154.02162	2.2
155.02315	1.4
155.07005	2.4
157.06493	2.7
161.05968	100.0
161.09590	22.0
162.06345	3.0
163.07549	4.0
165.09140	1.0
167.07031	25.3
168.07382	0.8
174.06723	3.9
175.07527	7.2
177.05460	1.1
177.09010	1.0
181.04976	0.8
181.08572	9.5
189.09093	59.3
190.09422	1.9
191.06982	3.1
191.08549	0.9
193.04906	1.0
195.08099	0.7
197.09586	1.0
201.09093	1.4
207.10150	81.5
208.10545	3.3
209.07983	1.2
217.04930	1.8
219.08176	0.9
219.10164	2.7
225.09129	1.3
232.44885	0.7
245.04521	1.0
251.06786	0.9
253.08890	1.0
257.11722	0.9
259.05872	1.2
260.96652	0.9
273.03894	1.1
277.07031	1.2
285.11258	2.6
287.86615	0.8
302.11172	0.7
303.01584	1.4
303.04938	6.2
303.08200	1.0
315.12180	1.5
317.13708	4.3
319.04449	26.7
320.04694	1.7
329.13757	1.4
331.04556	1.3
331.15387	1.0
343.15247	4.9
360.15485	0.8
361.05545	1.5
361.16406	11.5
373.16476	1.2
465.13333	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	5.3
68.02566	5.6
69.03416	5.0
71.04979	11.7
73.13998	4.9
79.05489	9.3
81.07058	9.0
83.04959	6.3
85.02901	25.2
91.05481	15.4
93.07069	12.4
95.04957	9.6
104.35990	5.3
105.07012	12.2
107.04935	26.4
109.17126	6.0
119.04934	9.2
121.06495	16.8
122.57808	5.7
123.04429	15.6
123.08080	5.6
123.11705	11.2
124.05180	6.4
125.05983	5.7
129.06984	16.0
131.04886	7.0
131.08592	12.5
135.04378	9.6
137.05959	16.8
138.06740	5.6
140.04652	6.0
148.05185	6.7
148.76044	5.2
149.05945	8.6
151.03929	32.2
151.07539	22.6
153.01804	16.3
153.05441	15.2
155.06989	13.7
157.06419	8.6
161.05940	47.3
161.09607	7.3
163.07516	15.8
163.11087	8.0
165.05409	5.6
165.09084	9.5
167.07034	88.5
167.08434	7.8
174.06715	13.6
175.07506	19.5
181.08588	72.6
189.09076	61.0
195.08026	7.4
197.09717	7.5
207.10117	21.3
219.10162	14.2
220.12943	5.7
223.07530	9.9
223.11093	8.7
225.09131	8.8
229.28935	7.2
242.09511	6.0
245.11183	6.5
249.08925	6.8
253.08688	10.6
257.11682	6.2
279.10104	6.7
283.09674	10.3
285.11234	30.6
303.04987	67.0
311.12637	9.2
315.12253	20.4
317.13855	30.5
329.13708	9.5
343.15472	39.7
359.14621	8.9
360.15558	29.7
361.16428	100.0
362.16562	10.9
373.15436	5.8
435.20007	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	465.2331
Annotation	Rosiridoside B
Peak:m/z	Relative Intensity
53.03944	2.5
53.05790	1.1
55.01866	7.1
55.05511	6.4
57.03434	4.1
58.90831	1.2
61.02922	3.0
65.51148	1.0
67.05515	6.2
68.99784	1.2
69.03431	15.3
69.07061	6.7
71.04992	4.6
71.31656	2.1
73.02921	1.9
75.29243	1.1
79.05508	8.1
81.03419	13.9
81.07058	18.9
83.04970	3.0
83.08629	2.0
85.02908	23.8
85.06564	3.2
91.05470	8.9
93.07047	23.1
95.04977	4.7
95.08598	13.1
97.02901	7.8
97.06540	6.8
97.10175	2.0
98.79298	1.4
99.04455	5.4
105.07026	16.1
107.08587	26.4
107.09267	2.0
109.02879	12.3
109.06540	5.7
109.10147	7.7
111.08073	3.2
113.05999	1.4
117.07016	2.5
119.08563	8.8
121.02914	2.7
121.06494	6.1
121.10143	17.0
123.04417	2.4
123.08076	4.7
123.11718	2.6
125.05987	1.4
127.03918	14.1
127.11189	1.2
131.08560	6.0
133.10139	7.7
135.04431	2.4
135.08081	3.7
135.11720	6.6
137.02351	5.5
137.05960	2.9
137.09631	4.5
139.11111	1.5
141.06914	1.4
143.08591	3.0
145.04956	2.4
145.10112	17.5
147.04399	2.5
147.11682	6.7
149.09656	6.3
149.13268	2.7
151.03926	3.1
151.07544	4.9
153.01830	7.5
157.10095	3.0
159.11696	5.1
161.06033	2.3
161.09633	1.5
161.13313	3.2
163.03925	5.0
163.07373	1.2
163.11185	25.5
163.12448	2.2
164.11580	1.9
165.01886	2.8
165.09166	2.2
167.03383	4.5
167.10680	9.8
169.08614	29.4
169.09996	1.4
171.11653	1.7
173.05931	1.6
173.09598	3.2
173.13293	3.7
175.11287	1.3
177.12885	1.5
181.12294	6.2
183.11565	1.5
185.13326	1.8
187.14891	2.4
189.12692	1.6
189.16447	1.8
191.10658	14.4
193.12354	1.3
193.94214	1.0
199.14798	1.6
200.49361	1.3
201.05550	2.7
201.16402	1.5
205.15956	2.3
207.17380	1.6
209.11691	11.7
213.16408	3.6
215.14313	1.2
215.18048	1.1
227.12769	33.1
228.13078	1.6
229.04913	8.6
247.05981	1.3
257.04416	4.6
257.07645	1.0
258.05286	1.8
260.05850	1.5
285.03903	2.0
286.04697	1.3
287.05035	1.9
288.05258	3.5
301.07086	4.6
302.07437	4.5
303.04935	100.0
303.07980	11.2
304.05255	6.7
317.13779	1.4
335.14856	1.7
345.05838	1.6
353.15915	11.1
365.28433	4.6
371.17139	6.4
377.14169	1.3
383.29391	3.4
393.27927	2.1
411.28848	2.8
423.72400	1.3
429.29984	4.8
447.31335	10.7
465.21432	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	4.6
57.07053	1.2
59.05298	1.0
60.03038	1.2
62.66562	1.1
67.05503	7.0
67.05795	1.7
68.87995	1.2
69.07033	5.1
71.33741	2.2
79.05460	5.2
80.56960	1.3
81.07063	8.3
83.08586	3.5
85.06487	1.3
89.03900	1.8
91.05443	4.3
93.07012	5.1
95.04939	3.1
95.08598	7.4
97.06510	2.2
97.10146	1.2
100.77241	1.1
105.07000	5.7
107.04929	1.4
107.08578	6.1
109.06491	1.2
109.10114	3.1
117.03320	3.9
117.07014	1.9
119.08551	4.6
121.10077	3.1
121.51143	1.1
121.77880	1.1
123.08031	1.9
131.08525	3.2
133.10072	4.2
135.08064	1.4
135.11688	1.7
143.08508	1.9
145.02855	9.1
145.10071	3.9
147.07961	1.3
147.11659	3.2
149.05936	2.2
149.09543	1.8
149.13208	2.6
153.27544	1.2
157.10147	1.7
169.10081	1.6
171.11623	2.0
175.14832	2.0
177.04149	1.4
177.05475	17.4
183.11650	1.4
187.14804	1.8
193.04965	1.7
195.06563	1.4
209.57707	1.1
225.16380	1.3
251.54362	1.4
283.09561	1.3
291.19421	3.9
327.20874	1.3
419.29440	2.3
433.52301	1.3
447.30182	2.5
465.28088	100.0
466.28207	11.6
487.16016	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50856	1.1
52.06038	1.1
55.05497	3.2
57.05653	1.0
65.81812	1.1
67.05501	5.3
69.07084	5.4
69.46110	7.2
69.98352	1.1
71.04993	1.1
79.05470	5.0
81.07034	6.5
83.04941	1.4
83.08601	2.8
91.05459	5.0
93.07017	5.7
95.04941	2.9
95.08594	8.0
97.10140	1.4
103.89358	1.3
105.07001	5.1
107.04956	1.5
107.08609	5.3
108.40117	0.9
109.06486	2.3
109.10139	3.4
114.17838	1.1
117.03359	4.3
117.07001	1.8
119.08541	5.3
121.10099	6.1
123.11645	1.1
129.06970	1.8
131.08511	3.3
133.10114	4.7
135.08063	3.0
135.11688	2.3
137.09572	1.4
139.07510	1.3
143.08577	2.0
145.02875	7.1
145.10141	3.5
147.11676	2.3
149.02371	1.0
149.05997	2.2
149.09579	2.0
157.10095	1.5
159.11623	1.5
161.09546	1.4
161.13184	1.3
169.10115	1.4
173.13254	1.1
177.05453	11.8
185.13171	2.0
193.04935	1.5
195.06572	2.2
195.11761	1.2
237.07478	1.6
273.18491	1.3
291.19376	2.6
419.29208	2.2
447.30276	2.5
465.28168	100.0
466.28372	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	465.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	4.6
57.07053	1.2
59.05298	1.0
60.03038	1.2
62.66562	1.1
67.05503	7.0
67.05795	1.7
68.87995	1.2
69.07033	5.1
71.33741	2.2
79.05460	5.2
80.56960	1.3
81.07063	8.3
83.08586	3.5
85.06487	1.3
89.03900	1.8
91.05443	4.3
93.07012	5.1
95.04939	3.1
95.08598	7.4
97.06510	2.2
97.10146	1.2
100.77241	1.1
105.07000	5.7
107.04929	1.4
107.08578	6.1
109.06491	1.2
109.10114	3.1
117.03320	3.9
117.07014	1.9
119.08551	4.6
121.10077	3.1
121.51143	1.1
121.77880	1.1
123.08031	1.9
131.08525	3.2
133.10072	4.2
135.08064	1.4
135.11688	1.7
143.08508	1.9
145.02855	9.1
145.10071	3.9
147.07961	1.3
147.11659	3.2
149.05936	2.2
149.09543	1.8
149.13208	2.6
153.27544	1.2
157.10147	1.7
169.10081	1.6
171.11623	2.0
175.14832	2.0
177.04149	1.4
177.05475	17.4
183.11650	1.4
187.14804	1.8
193.04965	1.7
195.06563	1.4
209.57707	1.1
225.16380	1.3
251.54362	1.4
283.09561	1.3
291.19421	3.9
327.20874	1.3
419.29440	2.3
433.52301	1.3
447.30182	2.5
465.28088	100.0
466.28207	11.6
487.16016	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01611	1.3
51.02375	1.3
53.03938	6.1
53.94352	0.9
55.01875	7.0
55.05510	46.0
57.03435	24.7
57.07069	4.4
59.04982	1.5
65.03934	5.7
67.05502	100.0
69.03429	11.8
69.07063	32.8
69.16393	9.2
70.07383	1.1
71.01357	6.9
71.04982	14.7
77.03930	1.9
79.05490	98.9
80.05846	3.1
81.03413	90.1
81.07053	82.6
82.07375	2.3
83.04562	0.7
83.04980	29.4
83.08616	32.8
83.09097	2.1
85.02903	39.1
85.03419	2.1
85.06534	7.2
87.04486	1.3
91.05478	75.8
92.05824	1.9
93.07042	99.1
94.07407	1.7
95.04966	52.4
95.08604	31.0
97.02929	5.2
97.06525	24.9
97.10163	23.1
97.10736	1.9
99.04460	2.0
99.08099	4.1
103.05474	7.7
105.04539	3.2
105.07023	47.4
106.07387	1.5
107.04961	11.9
107.08591	61.4
108.08941	2.1
109.02888	3.0
109.06514	11.8
109.07140	1.4
109.10156	17.1
111.04469	5.1
111.08076	19.2
111.11714	3.0
113.06036	3.1
115.05482	3.8
117.07016	13.3
119.04980	3.7
119.08575	37.3
120.08921	1.9
121.06526	8.5
121.10139	27.6
122.03643	2.5
123.04476	2.5
123.08070	5.9
123.11696	5.5
125.06002	2.7
125.09659	5.8
127.07648	1.7
128.06244	4.2
129.07013	16.6
130.07806	1.9
131.04959	4.8
131.08563	19.0
133.06482	7.6
133.10136	19.5
135.08118	6.6
135.11690	69.4
136.12061	3.5
137.05974	25.2
137.09637	6.0
138.06380	1.8
139.07549	1.9
139.11234	4.0
141.07019	1.9
142.07800	4.6
143.04887	1.6
143.08571	5.8
145.06471	2.1
145.10129	17.4
147.04427	2.1
147.08075	4.6
147.11674	22.3
148.12109	1.3
149.05975	2.1
149.09596	7.8
149.13318	2.5
151.03918	1.6
151.07521	8.4
151.11263	2.8
153.09213	1.4
153.12805	3.2
155.08595	2.3
156.09264	1.2
157.10115	18.2
158.10561	1.2
158.27728	1.2
159.08080	1.3
159.11670	6.5
160.05237	1.5
161.05942	2.4
161.09691	2.6
161.13263	2.4
163.07597	5.1
163.11189	9.9
163.14854	1.2
165.09129	8.6
165.12787	4.3
167.07071	3.0
167.08571	1.6
169.10194	1.6
171.08070	2.9
171.11754	3.4
173.13290	3.7
175.11182	22.1
175.14862	2.9
177.12741	1.7
179.06992	1.5
181.10153	1.1
181.10750	1.4
181.12270	11.7
182.10942	1.2
183.11725	1.9
185.13321	3.5
187.11295	2.6
187.14883	2.5
189.11258	2.7
189.16237	1.2
193.12238	78.7
194.12570	2.6
195.08061	2.3
199.13228	2.1
199.14873	1.7
201.09148	1.3
201.12662	2.0
201.16560	1.4
205.06644	1.2
205.12338	1.6
209.08159	2.7
209.13483	1.4
211.13281	87.2
212.13762	3.3
223.13295	1.5
225.12958	1.4
235.17145	1.1
247.88069	1.2
251.07094	2.7
253.08568	1.5
255.15878	5.7
267.16092	4.2
277.21640	1.7
283.09775	3.9
285.16858	2.1
305.11975	1.4
323.12875	3.1
329.21310	2.3
341.13794	1.6
347.21866	1.4
355.22650	2.0
373.23917	2.6
403.24658	1.7
419.29614	3.4
421.26047	1.1
429.26956	2.0
447.18362	5.7
447.27267	8.1
451.39957	1.5
465.28738	83.7
466.29303	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	465.3938
Annotation	Certonardosterol E2
Peak:m/z	Relative Intensity
51.19537	1.3
53.03937	2.8
55.05255	2.2
55.05508	27.8
57.07076	12.1
67.05503	17.6
69.03398	1.9
69.04537	14.0
69.06705	2.1
69.07067	29.6
71.05002	1.7
71.08617	5.2
79.05491	7.5
81.03410	1.3
81.06623	2.3
81.07057	26.0
83.04977	5.0
83.08620	21.9
85.10178	3.6
89.06025	7.7
91.05474	8.3
93.07040	13.1
95.04966	5.0
95.08609	22.9
96.98102	1.3
97.06528	3.2
97.10165	21.1
105.02824	1.4
105.07037	7.5
107.00228	1.3
107.04971	1.4
107.08605	9.1
109.06512	5.0
109.10149	20.2
111.08079	11.1
111.11726	4.2
117.07005	2.0
119.08572	15.0
121.06527	6.4
121.10158	10.1
123.04442	8.1
123.08043	6.1
123.11682	10.0
125.09632	1.7
129.07037	1.3
133.08627	3.8
133.10143	5.4
135.08058	4.7
135.11688	8.9
137.05998	2.7
137.09621	18.7
137.13286	3.8
139.07532	33.1
145.10110	3.4
147.08032	4.0
147.11691	3.3
149.09625	2.6
149.13257	4.5
151.07530	2.7
151.11157	9.8
151.14777	2.2
153.09122	5.4
155.10696	1.9
159.11690	3.1
161.13313	2.4
162.88779	1.4
163.11246	1.4
163.14821	1.4
165.09105	63.8
165.12746	6.1
166.09462	2.4
167.10585	1.2
170.30640	1.5
173.13237	1.8
175.11195	1.7
175.14731	1.8
179.10672	2.1
179.14336	6.0
183.10170	2.8
187.14911	2.0
189.12648	1.8
191.10680	1.4
193.15916	6.1
205.15866	1.7
207.13712	1.3
207.17473	2.6
221.15349	1.3
221.19133	1.6
349.53232	1.6
401.37592	4.8
419.38901	9.9
421.36884	2.4
429.37314	16.0
447.38354	57.3
448.38672	7.7
465.33798	7.2
465.39413	100.0
466.39783	13.3
481.92188	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.394
Annotation	Certonardosterol E2
Peak:m/z	Relative Intensity
53.14812	2.6
55.01862	2.6
55.05514	24.5
57.07079	21.1
67.05505	34.0
69.03751	18.4
69.07066	41.7
71.04996	4.3
71.08632	19.1
79.05493	19.6
81.07056	58.1
83.04990	4.7
83.08619	21.5
85.06550	9.8
85.10179	16.2
89.06026	3.3
91.05479	18.5
93.07044	36.9
95.08610	52.8
96.08981	2.9
97.06547	6.1
97.10175	18.8
105.07035	19.4
107.08595	33.2
109.10162	40.9
111.08104	2.3
111.11716	14.6
115.03930	3.7
119.08572	20.1
121.10135	18.6
123.11700	18.3
125.06002	4.6
125.13260	3.5
131.08560	6.1
133.10120	19.4
135.08029	2.6
135.11687	19.3
136.43593	2.2
137.09589	2.4
137.13278	6.9
139.14838	2.6
143.07019	28.2
145.10135	6.9
145.26526	1.9
147.08214	2.1
147.11696	19.2
149.09641	3.6
149.13261	16.3
151.11234	3.0
151.14815	3.7
155.10703	2.3
159.11662	3.6
161.13277	11.5
163.14864	9.9
165.16368	3.0
171.11566	2.3
173.13159	3.7
175.11259	3.1
175.14821	6.0
177.16447	3.7
179.10603	2.6
187.14792	3.1
189.16426	4.2
191.17932	2.6
191.92920	2.0
193.12276	9.3
202.73880	2.1
203.17957	2.8
207.13797	14.2
207.21129	2.6
215.18042	2.8
221.15369	2.9
235.16785	4.0
235.24211	3.3
247.17105	3.1
247.24074	2.7
249.18483	2.2
275.19995	6.4
275.27295	3.1
289.21567	5.8
289.28918	3.1
290.21274	2.2
301.28873	3.7
343.33359	2.9
347.33109	6.5
369.35117	5.3
387.36099	5.2
403.35696	8.4
405.37265	3.6
411.36450	2.7
416.69739	2.2
429.37241	32.3
447.31976	4.7
447.38287	100.0
448.38956	11.8
465.39993	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	466.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17034	0.9
53.03947	3.2
55.01863	2.2
56.96561	0.9
57.03438	7.1
61.02930	11.0
62.05540	0.8
65.03934	2.7
67.05505	1.0
69.03426	19.0
69.10292	9.5
70.06575	1.1
71.04976	5.0
73.02920	8.5
79.01844	2.2
81.03416	10.3
83.04988	2.1
84.20666	0.9
85.02901	100.0
86.03218	1.6
87.04464	2.4
89.06026	8.9
90.45598	1.1
91.03930	4.8
91.05448	1.2
93.03410	2.7
95.04946	1.7
97.02888	33.6
98.97579	2.2
99.04446	4.9
101.06028	2.0
103.03943	2.4
107.05016	1.5
109.02882	12.5
111.04424	8.2
115.03947	1.9
117.07073	1.3
121.02837	1.3
122.35706	1.0
123.04436	5.0
125.02322	1.9
125.05990	33.8
127.03912	29.2
133.05020	1.1
135.04463	1.0
135.64342	1.0
137.05978	4.0
139.03905	4.7
143.03381	3.8
144.06633	1.3
145.04953	49.2
147.04417	1.2
149.05992	1.7
153.01823	33.8
153.02913	2.0
153.05423	1.0
155.07013	10.3
161.06090	1.5
163.03882	2.3
163.06027	16.6
163.07362	2.0
165.05623	1.2
167.07076	4.2
171.06505	2.4
177.05438	0.9
179.06995	1.5
181.04872	1.0
183.06848	4.0
184.07259	1.9
191.07039	2.2
195.06636	1.7
201.05431	1.2
213.07607	1.4
219.08745	1.1
223.09601	1.8
229.55586	1.0
233.08058	1.6
237.02495	1.7
237.07545	2.1
251.09193	2.8
251.12898	1.1
279.08646	2.4
285.68588	0.9
287.11203	1.3
287.14014	1.7
293.09109	2.7
303.04889	5.1
304.05304	11.9
305.05917	1.1
305.14774	1.0
407.12225	2.4
433.37924	0.9
466.19543	2.1
467.19632	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	466.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.9
53.03954	1.9
55.01870	1.0
55.05519	1.9
57.03438	10.5
62.61345	0.8
69.03429	5.3
70.06596	1.3
71.04992	80.4
71.30899	1.3
73.02916	2.7
75.04501	5.1
79.01862	1.8
81.03427	2.5
83.04968	6.7
84.65865	1.0
85.02903	100.0
87.04489	2.3
97.02884	7.3
99.04471	2.6
107.04994	1.0
109.02879	12.4
110.06026	1.2
111.04470	3.2
116.07085	1.3
116.98618	1.2
121.02911	1.2
123.04428	4.5
127.03918	5.1
129.05473	42.3
130.05795	1.9
133.02901	1.0
137.02364	1.1
137.05962	2.1
138.05511	4.0
139.03885	1.0
139.77127	1.0
141.05450	9.0
143.03436	2.2
145.04938	2.3
146.08110	1.3
147.04469	3.0
147.06517	20.1
153.01828	24.6
153.03012	1.1
153.05486	4.3
155.03355	1.7
157.40582	0.9
164.09200	6.1
165.05452	4.6
177.05434	4.6
207.06561	3.8
208.95209	0.9
209.08064	1.4
233.08026	1.2
239.82185	1.0
251.09157	1.4
255.08722	1.3
258.83179	1.0
278.03799	1.5
304.05225	1.1
458.66040	1.0
466.16101	8.9
467.16714	1.2
470.95288	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.5
54.71354	1.0
55.01871	4.5
57.03436	6.6
61.02923	11.1
65.03947	4.9
69.03427	19.0
69.07080	1.2
69.77584	2.1
69.77991	3.6
71.04985	5.4
73.02912	5.0
75.05984	1.4
79.01853	2.9
79.05482	1.6
81.03418	11.0
81.07064	2.0
83.04980	1.3
85.02904	100.0
86.03246	3.4
87.04472	2.4
89.06040	9.7
89.32431	1.0
91.03951	6.3
91.05486	1.5
93.03408	3.1
95.04979	3.0
97.02892	35.8
98.97622	1.9
99.04458	4.1
101.06008	1.5
103.03945	3.1
105.07083	1.5
107.04966	2.9
109.02878	11.0
111.04456	8.0
112.58799	1.0
115.03962	1.9
119.07059	1.4
119.40421	1.1
121.02882	2.7
123.04453	2.2
125.05994	32.5
127.03909	28.5
137.05949	3.6
138.02710	1.5
138.05504	1.6
139.03909	6.3
143.03412	3.4
144.06633	1.6
145.04956	48.8
151.07478	1.3
153.01825	46.5
153.02924	2.4
153.05440	1.6
155.07025	5.4
161.05928	1.5
163.03987	2.7
163.06049	13.7
163.07431	1.4
167.07059	4.8
168.07410	1.6
171.06601	3.0
179.07204	1.7
181.04968	1.8
183.06873	2.4
190.05652	1.8
191.07083	2.3
195.06572	1.7
219.08592	1.5
223.09642	2.8
237.07729	1.3
259.12921	1.2
261.07529	2.1
269.10181	1.5
279.08676	3.1
284.14496	1.2
293.08957	2.1
303.04944	7.8
304.01938	2.0
304.05289	16.6
304.08475	2.1
311.10648	1.7
392.04965	1.6
396.04324	1.3
407.12030	4.5
420.04355	1.5
466.19485	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	2.3
55.05517	1.7
65.03934	1.8
67.05495	1.9
69.03414	3.5
69.17706	3.2
69.18116	11.2
77.42099	1.4
79.01878	3.9
79.05468	2.7
81.03406	2.6
83.04980	2.8
85.02888	5.9
91.05459	3.8
95.04955	2.9
97.02877	5.7
105.07052	2.3
107.04944	14.7
109.02874	2.8
111.04420	1.8
119.04967	1.7
121.02834	4.6
123.04438	2.1
125.02360	2.6
127.03893	5.9
135.08029	5.0
137.05933	4.8
139.03883	7.0
143.03383	4.6
150.06490	2.2
151.03958	7.3
152.04256	3.2
153.01820	100.0
153.02902	4.2
154.02103	2.5
163.03857	2.8
163.07541	11.6
167.07037	31.2
185.08043	3.0
195.10107	9.5
213.11215	23.4
250.04472	1.6
257.00650	2.0
258.01010	2.0
261.07523	5.9
270.13165	1.7
276.01999	2.2
279.08582	2.5
287.14847	16.0
297.06229	1.9
303.01361	8.0
304.01703	18.8
305.01831	2.2
316.13757	3.2
376.15839	2.9
400.15665	2.0
430.16647	6.1
448.17795	10.2
466.11139	3.3
466.18881	12.7
467.11218	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	466.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	5.6
55.94138	6.0
65.16096	5.6
67.05499	14.7
69.03439	18.4
69.07081	22.0
69.75439	9.1
69.75834	14.2
70.06613	8.0
71.05009	19.8
79.05500	18.1
81.07061	34.4
83.04987	20.9
85.02904	10.4
85.06555	13.2
91.05482	21.3
93.07047	53.0
95.04966	73.6
95.08617	14.7
97.02913	6.8
97.06536	23.7
99.04457	11.4
105.07034	31.8
107.04936	11.4
107.08588	27.5
109.02911	10.5
109.06493	26.4
111.04485	6.3
111.08070	5.8
112.07603	8.2
117.07047	9.6
119.05000	6.7
119.08543	6.9
121.06509	15.3
121.10139	36.1
123.04449	11.4
123.08129	5.7
125.05981	39.1
127.03961	5.6
127.07571	16.9
131.08580	16.6
133.06517	5.3
133.10129	7.5
135.04373	7.0
135.08049	8.6
135.11708	9.4
137.06007	17.3
139.11203	19.2
143.07025	59.7
145.06459	7.4
145.10132	50.3
147.04428	5.9
149.06020	10.2
149.09677	5.9
151.03946	9.8
151.07529	28.4
153.01831	64.0
153.05402	9.0
153.12767	5.2
155.07040	15.8
159.11731	21.2
161.05986	29.0
161.09668	6.7
162.06343	5.6
163.07565	6.8
163.11189	32.4
167.07045	75.8
168.07437	9.9
169.10170	6.3
173.09628	21.1
175.07390	5.6
181.08595	18.5
181.12251	38.9
182.09012	9.7
184.07375	9.1
187.11156	39.9
189.09059	12.8
190.09462	18.4
191.10689	48.1
197.09634	5.9
198.10056	5.2
199.13326	22.8
205.12192	41.2
209.11710	51.0
215.10718	26.6
231.02071	5.2
233.11665	36.5
251.12750	76.1
260.06949	5.0
269.08206	5.9
269.13812	100.0
286.11508	7.2
287.14923	51.9
299.75214	5.8
304.05411	7.2
304.09009	8.0
318.13922	6.8
318.76550	5.5
344.16025	12.7
361.16199	14.5
362.17029	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	466.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22599	7.9
63.96264	7.2
65.03941	6.4
67.05511	20.8
69.03423	17.0
69.07070	29.2
69.49481	20.4
69.49900	29.2
70.42352	7.2
71.05014	27.4
75.16364	7.0
79.05492	23.4
81.03423	8.2
81.07058	28.7
83.04991	26.1
85.02907	13.9
85.06523	13.4
91.05495	18.9
93.07036	50.5
95.04967	62.4
95.08602	17.7
97.06551	27.8
98.23327	14.2
99.04463	17.8
105.07056	33.5
107.04955	21.7
107.08611	30.3
109.06548	22.5
113.06033	12.8
115.29360	7.1
119.08577	8.8
121.06503	14.8
121.10146	66.3
123.04400	17.6
125.06015	45.4
129.54565	6.8
131.08572	18.1
133.06471	10.7
133.10141	10.9
135.04492	7.8
135.11713	15.9
137.05994	31.4
137.09642	7.1
139.07591	9.6
139.11237	11.5
140.03165	7.0
143.03477	7.3
143.07031	76.9
145.10117	59.8
149.09602	10.4
151.03970	11.0
151.07585	16.1
153.01833	92.8
153.05432	11.7
155.07033	19.9
157.06560	7.4
159.11699	24.4
161.05969	26.4
163.07510	8.9
163.11206	32.3
167.07030	60.0
168.07394	15.9
173.09607	17.7
181.08624	18.8
181.12253	39.2
182.08972	8.7
187.11169	43.5
189.09137	21.1
190.09509	13.9
191.10663	53.8
199.13324	25.7
205.12254	52.5
209.11716	45.2
215.10730	22.9
227.12889	8.1
233.11670	40.8
251.12820	77.6
269.08087	19.8
269.13867	100.0
287.14862	44.1
344.15717	9.2
361.16037	9.4
362.16882	21.0
466.16959	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	466.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98878	3.3
57.19457	3.4
58.34074	3.8
67.05501	9.0
69.03400	6.3
79.05511	4.9
81.03414	4.1
81.07040	7.2
83.08603	4.3
91.05469	9.2
93.07031	8.9
95.05016	4.9
95.08587	7.1
103.05469	8.0
105.07047	22.8
107.04963	4.4
107.08659	5.7
118.04156	5.4
121.06504	6.9
131.02515	4.3
131.08517	4.8
133.06476	17.0
133.10158	5.1
135.08051	4.6
137.02278	5.0
137.05962	10.7
149.06001	4.9
150.06738	11.4
151.07622	4.6
153.01834	21.5
154.06252	4.9
154.07578	4.0
157.10136	4.4
161.13359	4.1
165.09097	15.8
167.07018	15.5
181.04984	5.7
181.08551	20.0
193.08572	54.7
195.65422	4.9
209.08014	7.6
210.08852	8.3
211.09624	100.0
225.06395	4.2
254.02077	4.1
297.49582	4.1
467.22141	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	466.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46313	4.7
53.03955	7.1
55.01876	5.7
55.05516	31.9
57.07079	5.4
65.03950	5.3
67.05508	41.0
69.03438	10.1
69.07066	29.5
70.06607	4.2
71.04996	11.7
79.01856	6.7
79.05497	41.7
80.05820	6.0
81.03427	15.1
81.07063	55.2
82.07386	8.6
83.04991	14.0
83.08636	12.4
85.02922	9.0
85.06559	7.4
87.19307	3.9
91.05473	39.8
91.05878	3.3
92.05825	5.3
93.07058	38.5
95.04974	16.6
95.08607	41.3
97.06570	7.3
97.10187	10.6
98.23398	9.5
99.04466	8.6
101.50925	4.5
103.05458	28.6
104.05825	5.2
105.07037	54.9
106.07354	5.5
107.04957	15.1
107.08608	47.0
108.08922	6.6
109.02899	7.5
109.06516	14.4
109.10175	28.8
111.08101	8.9
115.05457	8.6
117.07017	8.6
119.04910	9.8
119.08593	44.3
119.53058	4.2
121.06516	9.2
121.10147	36.7
122.03637	6.4
122.10468	6.5
123.08050	12.8
123.11716	15.0
127.03955	4.4
129.07011	11.4
131.04919	37.0
131.08542	20.5
133.06477	11.7
133.10126	32.5
135.08110	14.5
135.11729	20.7
137.05974	86.5
138.06317	18.9
139.07524	5.4
139.11150	8.1
143.03416	5.0
143.08649	12.1
145.10114	26.5
147.04442	9.9
147.08066	5.4
147.11717	30.6
149.06082	6.4
149.09610	32.5
149.13298	12.3
151.03938	6.2
151.07539	26.8
151.11270	5.1
152.07919	10.9
153.01840	100.0
153.02994	6.9
155.08591	4.7
156.09370	6.9
157.06578	5.0
157.10118	15.2
159.08070	6.2
159.11725	21.2
161.05980	32.3
161.09639	17.0
161.13286	16.0
163.07578	25.3
163.11191	7.4
163.14865	5.6
164.08060	7.4
165.09111	19.3
165.12746	5.6
166.09528	8.0
169.10179	6.0
171.11658	9.5
173.09624	4.4
173.13278	11.5
174.06538	4.5
175.07536	7.1
175.11227	6.5
175.14911	10.4
177.16434	5.4
181.10178	5.2
183.11754	5.8
185.13272	8.9
186.13579	4.6
187.11186	8.5
187.14830	17.5
189.09135	43.3
189.12776	8.9
189.16547	10.4
195.11685	6.3
197.13258	7.2
199.14952	6.4
203.14360	6.4
205.15866	21.2
207.13844	18.0
213.16386	6.3
223.16788	6.5
254.09198	5.4
254.39726	4.4
265.08649	7.8
277.14456	16.7
283.09610	7.4
284.10175	5.7
285.11151	14.3
303.06689	3.9
305.24881	4.4
313.14267	16.7
324.13159	12.2
325.13831	5.3
367.29907	4.6
377.28290	4.4
382.31152	5.3
395.29596	7.8
403.30032	6.5
413.30438	13.5
421.30869	12.0
436.18518	6.3
448.18317	16.9
449.30710	6.2
466.19327	5.3
466.24252	21.2
466.30399	13.4
467.25705	28.1
467.31464	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	466.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
55.01870	4.2
55.05513	2.7
55.79122	1.5
57.03430	4.6
61.02926	2.8
67.05491	2.4
69.03432	11.1
69.07054	1.6
69.85947	6.0
71.01340	1.6
73.02917	8.7
79.01855	5.6
79.05486	7.2
81.03424	3.2
81.07057	100.0
82.07387	2.5
85.02908	31.3
87.04470	1.2
91.05466	3.2
93.07044	2.4
94.34412	1.2
95.08595	7.0
96.84413	1.3
97.02895	15.5
99.04484	1.9
103.03947	1.4
105.07042	2.4
107.01333	1.9
107.08591	1.4
109.02890	3.1
109.10172	1.6
115.03246	1.7
115.03918	9.1
123.04403	2.1
125.02356	3.5
127.03923	12.3
129.06932	1.5
133.04973	15.0
135.04497	1.6
137.06021	7.4
137.13260	25.7
138.06294	1.7
143.03395	6.7
145.04956	17.2
145.10062	1.2
147.04445	2.0
147.11659	1.6
151.03864	2.5
153.01839	91.2
153.02907	4.4
163.03899	1.7
163.06015	10.5
171.03096	1.2
175.07599	1.2
188.24596	1.3
205.60614	1.3
223.05826	1.7
241.06992	2.7
259.08130	3.7
266.09042	1.3
279.05203	1.2
279.08823	1.2
295.10159	1.6
299.18594	1.3
304.05353	1.4
438.60382	1.4
466.18512	1.8
466.28738	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	466.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.7
51.02370	1.0
53.03946	2.0
55.01871	2.3
55.05512	4.2
57.03436	12.6
57.07065	2.0
59.05003	1.3
61.02919	3.1
65.72764	0.6
67.05513	5.5
69.03429	31.4
69.07069	9.1
69.26752	4.6
69.27163	1.2
71.01352	1.5
71.04993	0.9
73.02919	14.2
79.01856	6.8
79.05490	5.6
81.03415	5.7
81.07057	53.8
82.07370	1.3
83.04976	2.0
83.08624	2.2
85.02904	27.2
85.06544	1.0
87.04465	18.1
91.05477	2.7
93.07039	5.1
95.04952	1.2
95.08606	17.5
97.02894	30.6
97.06556	1.6
97.10149	2.3
98.23358	1.6
99.04448	1.7
99.08114	2.1
103.03922	0.9
105.07040	4.7
107.01283	1.9
107.08614	4.1
109.02883	3.4
109.06535	2.1
109.10181	4.9
111.04449	0.8
111.08096	1.7
111.11726	10.1
115.03934	33.1
117.07085	0.7
118.15228	0.7
119.08577	3.1
119.62373	0.6
121.06607	0.7
121.10165	3.7
123.04440	1.4
123.11713	2.3
125.02345	2.9
125.09590	0.8
127.03934	8.3
131.08582	2.2
132.06528	0.9
133.04970	28.6
133.10138	1.9
135.11743	3.4
137.05899	0.8
137.09583	0.9
137.12244	1.5
137.13248	16.0
137.14310	0.8
143.03427	8.5
143.08566	1.5
145.04927	5.1
145.10126	2.0
147.11696	2.2
149.13263	1.9
150.07616	5.2
153.01828	100.0
153.02899	5.6
153.12782	2.6
155.14307	6.5
159.11722	1.7
161.13283	1.9
163.06007	2.5
167.14320	0.7
171.02985	0.8
171.11646	0.7
177.12732	1.3
179.14253	1.0
183.10155	0.9
203.14264	1.0
212.36659	0.8
221.15384	1.1
233.15385	1.0
241.07091	1.9
251.16449	1.4
259.08105	2.2
269.17545	1.8
281.17487	0.9
295.10291	1.0
297.06232	0.8
305.24826	0.8
361.99750	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.3
51.02376	1.0
53.03944	0.2
55.01884	0.3
56.96555	0.3
60.27505	0.1
63.13754	0.1
67.05492	0.3
69.03425	2.5
71.32800	0.3
79.01849	6.1
79.05499	0.2
81.03416	1.0
81.07028	0.2
81.72238	0.2
85.02903	0.3
87.00772	0.2
88.65572	0.2
91.05463	0.2
92.32947	0.2
93.07058	0.3
95.04996	0.2
97.02885	2.0
100.77876	0.2
107.01317	1.7
109.02870	0.7
117.25986	0.2
119.08575	0.2
121.02825	0.4
123.00757	0.3
123.04412	0.6
125.02345	3.3
127.03916	3.4
135.04416	0.3
137.05960	0.5
139.03905	0.5
143.03387	6.7
147.04370	0.3
151.03900	1.0
153.01819	100.0
153.02888	6.0
154.02155	2.4
154.03333	0.2
163.03932	0.6
171.02885	0.7
177.05470	0.2
179.03421	0.2
179.07123	0.2
181.04955	0.3
191.03409	0.5
195.02861	0.2
205.04875	0.3
207.06581	0.4
209.38512	0.2
213.03917	0.3
233.04515	0.2
237.03926	0.6
246.75519	0.2
279.05057	0.5
297.05936	0.9
297.11203	0.2
323.11667	0.5
399.98883	0.2
414.31509	0.2
449.07156	0.4
460.04309	0.2
467.08569	0.2
467.15063	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	467.082
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.9
52.97961	0.1
53.03944	0.3
55.01863	0.3
65.03931	0.2
68.99788	0.2
69.03424	1.9
69.69856	0.3
69.70247	0.4
71.04999	0.2
71.11845	0.1
78.99294	0.1
79.01850	6.1
79.05491	0.2
81.03412	1.4
85.02905	0.3
91.05472	0.3
95.01302	0.3
95.04934	0.3
95.08596	0.2
95.50574	0.2
97.02890	2.0
98.22581	0.2
99.04520	0.2
103.03891	0.2
105.07003	0.3
107.01309	1.5
107.04932	0.2
109.02863	0.9
109.06581	0.1
110.03647	0.3
111.05578	0.2
119.08552	0.1
121.02861	5.6
121.03777	0.3
123.00817	0.3
123.04414	0.2
125.02353	2.7
125.05991	1.1
127.03909	3.0
135.04407	5.9
136.04710	0.1
137.05946	0.8
139.03908	1.7
143.03391	7.3
151.03902	0.2
151.07582	0.2
153.01822	100.0
153.02878	5.1
153.05249	2.4
154.02153	2.2
154.03346	0.2
154.06204	0.6
161.06006	0.3
163.03912	0.6
167.07089	0.3
170.05762	0.3
171.02911	0.3
177.09171	0.2
185.08089	3.0
191.03447	0.7
193.08586	0.2
193.63663	0.2
195.02824	0.3
209.04384	0.1
213.03848	0.3
233.04295	0.2
237.03966	1.2
261.04010	0.4
262.27332	0.1
265.06927	0.2
279.04984	0.5
297.05887	0.9
443.44299	0.2
449.07092	0.7
467.07950	0.3
467.18967	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	0.3
51.02370	0.8
53.00301	0.1
55.01862	0.3
58.48415	0.1
60.18802	0.1
67.05473	0.1
69.03428	3.1
69.14087	1.0
71.01374	0.1
71.04961	0.1
79.01852	5.5
79.05466	0.1
81.03414	1.0
81.07050	0.1
87.00829	0.2
95.01331	0.1
96.66124	0.1
97.02882	1.1
99.04438	0.2
105.06347	0.1
105.07010	0.3
107.01312	1.6
109.02868	0.6
111.05488	0.1
119.08604	0.1
123.00768	0.2
123.04456	0.2
124.27855	0.1
125.02356	3.0
127.03910	5.0
131.04893	0.2
135.04428	0.7
137.02249	0.1
137.05962	0.4
139.03931	0.3
143.03392	6.4
144.03723	0.2
145.10219	0.1
151.03932	0.3
153.01820	100.0
153.02876	5.2
153.96860	0.1
154.02150	2.4
154.03365	0.2
158.11253	0.1
163.03955	0.3
167.03394	0.1
167.07016	0.9
171.02890	0.4
177.05405	0.2
181.04919	0.2
184.98193	0.1
191.03381	0.4
195.02907	0.4
205.04926	0.2
207.02829	0.1
213.03882	0.6
219.02992	0.1
233.04369	0.2
235.06000	0.2
237.04013	0.7
261.03860	0.3
261.40353	0.1
279.04861	0.6
297.06042	0.7
303.05396	0.2
304.05502	0.2
305.05576	0.3
305.10596	0.1
313.17911	0.1
345.14471	0.2
396.15475	0.1
449.07034	0.4
467.07684	0.6
487.60345	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	467.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	0.3
50.67100	0.1
51.02364	0.7
53.00323	0.2
55.01870	0.3
55.05485	0.2
58.79618	0.1
65.03955	0.2
67.05490	0.4
69.03429	3.2
71.04981	0.2
79.01853	5.6
79.05489	0.3
81.03416	0.9
81.07062	0.4
85.02900	0.2
87.00805	0.2
91.05475	0.2
93.07037	0.2
95.08606	0.1
97.02892	1.6
98.97573	0.4
99.65029	0.1
103.05450	0.2
105.07004	0.3
107.01315	1.4
107.01984	0.2
107.08582	0.2
108.02131	0.2
109.02874	0.9
111.04463	0.2
116.98615	0.3
119.08620	0.2
121.02870	0.1
121.10142	0.2
123.00822	0.4
123.04407	0.3
125.02351	3.4
126.02723	0.1
127.03922	5.1
131.04890	0.2
131.08551	0.2
133.06483	0.2
133.10144	0.2
135.04381	0.5
137.05948	0.6
139.03935	0.7
143.03391	6.8
144.03743	0.2
147.04434	0.1
149.06017	0.2
151.03897	2.6
151.04951	0.2
152.04221	1.0
153.01826	100.0
153.02887	5.3
154.02161	3.2
154.03357	0.2
155.02211	0.3
156.08018	0.2
158.99605	0.2
160.07561	0.2
161.09663	0.1
163.03912	0.6
167.07047	0.3
171.02864	0.4
171.04337	0.2
177.00706	0.2
177.05376	0.2
179.03430	0.2
181.04950	0.3
189.05290	0.4
191.03418	0.2
195.02873	0.4
213.03929	0.5
233.04623	0.2
234.08685	0.2
235.09314	0.2
237.03969	0.6
239.09039	0.1
261.03763	0.2
263.08932	0.2
279.04944	0.6
280.09723	0.4
281.10159	0.5
297.06097	0.9
298.10519	0.3
299.11102	0.6
449.07236	0.4
449.13934	0.2
452.00110	0.2
462.76050	0.1
467.08237	0.5
467.14771	0.4
467.18655	0.4
467.32202	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	0.2
51.02379	0.7
53.00317	0.2
53.03939	0.3
55.01870	0.2
56.34644	0.1
59.29816	0.1
63.07129	0.1
67.05494	0.3
68.99791	0.2
69.03426	1.3
69.07070	0.1
71.04983	0.3
71.17195	0.2
79.01855	7.1
79.05473	0.2
81.03420	1.9
81.07044	0.3
83.04974	0.1
85.02895	0.4
85.06538	0.1
87.00842	0.2
91.05477	0.2
93.07049	0.4
93.84225	0.1
95.08617	0.2
97.02900	2.4
97.10174	0.1
99.04458	0.3
103.23521	0.1
105.07040	0.3
107.01321	1.7
107.08578	0.3
109.02871	1.1
109.10136	0.2
119.08595	0.2
121.02872	0.4
121.06559	0.1
121.10146	0.5
123.00776	0.3
123.04464	0.2
125.02355	3.4
125.09622	0.1
127.03917	1.9
133.10130	0.2
135.04427	0.2
137.05974	0.2
137.09550	0.2
138.86006	0.1
139.03955	0.5
143.03394	7.6
143.30284	0.1
144.03819	0.1
145.10161	0.2
147.04417	0.1
151.03867	0.2
153.01828	100.0
153.02893	6.0
154.02162	2.4
161.13258	0.1
163.03935	0.2
167.07069	0.2
168.04031	0.1
168.05469	0.1
169.04961	1.1
171.02902	1.4
177.05438	0.1
179.03351	0.2
181.01378	0.2
191.03381	0.1
193.05022	0.2
195.02881	0.1
203.10620	0.1
207.02959	0.1
209.04539	0.1
230.07468	0.3
233.04382	0.3
237.03983	0.2
258.08755	0.1
259.09161	0.1
261.04025	0.1
289.05066	0.2
297.06027	1.5
311.12900	0.1
378.14481	0.2
467.08304	0.2
467.15594	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.082
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.4
51.02371	1.0
53.00307	0.1
53.03941	0.4
55.01865	0.4
55.05505	0.9
57.03433	0.3
57.07034	0.1
61.02931	0.1
62.48306	0.1
67.05486	0.5
69.03422	1.6
69.07064	0.7
69.11299	0.9
69.11699	0.2
71.04998	0.2
73.02905	0.2
74.13243	0.1
75.02959	0.1
76.26640	0.1
79.01851	7.3
79.05495	0.7
80.02190	0.2
81.03413	1.8
81.03844	0.2
81.07047	2.6
82.07378	0.3
83.04961	0.3
83.08607	0.3
85.02901	0.6
85.06535	0.3
87.00818	0.2
91.05488	0.5
93.07039	0.9
94.07340	0.1
95.04971	0.2
95.08602	1.4
96.08923	0.1
97.02258	0.2
97.02890	2.6
97.06532	0.2
97.10170	0.8
99.04451	0.3
105.07049	0.6
107.01312	1.9
107.08580	0.8
109.02876	1.2
109.06520	0.3
109.10148	0.7
109.29411	0.1
111.08047	0.1
111.11742	0.2
115.03957	0.2
119.04984	0.1
119.08556	0.5
121.10115	0.6
123.00789	0.3
123.11734	0.3
125.02349	3.9
125.09595	0.2
127.03916	1.8
131.08615	0.3
133.04948	0.2
133.10110	0.4
135.11707	0.3
137.05984	0.1
137.13261	0.4
139.11140	0.2
143.03387	7.9
143.10602	0.2
144.03720	0.3
145.10161	0.2
147.04410	0.2
147.11681	0.4
149.13231	0.3
153.01820	100.0
153.02892	6.4
154.02158	2.6
154.03365	0.2
157.10150	0.2
157.12215	0.1
159.11679	0.3
161.13333	0.2
163.03804	0.1
163.14825	0.1
171.02852	1.2
171.11708	0.1
173.13206	0.2
175.14703	0.1
181.01300	0.1
191.03386	0.2
205.05005	0.1
233.04239	0.1
237.03947	0.4
250.75110	0.1
262.37009	0.1
297.06039	1.5
305.24838	0.3
449.29022	0.1
467.07822	0.3
467.30746	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	467.082
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01589	0.5
51.02377	1.1
53.03937	0.5
53.25471	0.2
55.01873	0.3
56.20915	0.2
67.05492	0.5
69.03435	1.4
71.04984	0.2
71.32188	0.2
71.32550	0.2
79.01852	7.7
79.05489	0.6
81.03412	1.4
81.07069	0.4
83.04955	0.2
85.02896	0.3
85.06548	0.2
91.05473	0.6
93.07084	0.4
95.08600	0.3
97.02898	2.0
97.06519	0.2
99.04442	0.5
102.26718	0.2
103.05467	0.4
105.07021	0.5
107.01327	1.7
107.04951	0.4
107.08588	0.3
109.02876	0.9
109.10162	0.4
119.04913	0.3
119.08616	0.3
121.02853	0.2
121.06458	0.2
121.10125	0.2
123.00745	0.3
123.04425	0.6
123.08067	0.2
125.02337	3.5
127.03912	1.9
131.04916	0.5
131.08513	0.2
133.02859	0.3
133.10164	0.2
134.52547	0.2
135.08060	0.2
137.05948	0.7
137.09596	0.4
139.03932	0.3
143.03392	7.8
145.10124	0.3
147.04391	0.7
149.06012	0.4
151.03937	0.5
153.01823	100.0
153.02888	5.5
154.02151	2.8
160.92256	0.2
161.05995	0.3
163.03838	0.3
163.07504	0.3
164.08289	0.5
165.05452	0.2
167.07036	7.2
168.05786	0.2
168.07343	0.2
171.02872	1.2
175.07550	0.8
177.05414	0.3
181.04997	0.3
190.23773	0.2
191.03406	0.4
193.08606	0.4
205.04845	0.3
211.09589	0.2
228.07738	0.4
233.04221	0.2
237.03877	0.2
237.09254	0.2
239.12636	0.3
287.09222	0.2
297.06009	1.4
312.13461	0.7
426.34106	0.2
467.08716	0.5
467.14996	4.1
468.15573	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.082
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.4
51.02371	1.0
53.00307	0.1
53.03941	0.4
55.01865	0.4
55.05505	0.9
57.03433	0.3
57.07034	0.1
61.02931	0.1
62.48306	0.1
67.05486	0.5
69.03422	1.6
69.07064	0.7
69.11299	0.9
69.11699	0.2
71.04998	0.2
73.02905	0.2
74.13243	0.1
75.02959	0.1
76.26640	0.1
79.01851	7.3
79.05495	0.7
80.02190	0.2
81.03413	1.8
81.03844	0.2
81.07047	2.6
82.07378	0.3
83.04961	0.3
83.08607	0.3
85.02901	0.6
85.06535	0.3
87.00818	0.2
91.05488	0.5
93.07039	0.9
94.07340	0.1
95.04971	0.2
95.08602	1.4
96.08923	0.1
97.02258	0.2
97.02890	2.6
97.06532	0.2
97.10170	0.8
99.04451	0.3
105.07049	0.6
107.01312	1.9
107.08580	0.8
109.02876	1.2
109.06520	0.3
109.10148	0.7
109.29411	0.1
111.08047	0.1
111.11742	0.2
115.03957	0.2
119.04984	0.1
119.08556	0.5
121.10115	0.6
123.00789	0.3
123.11734	0.3
125.02349	3.9
125.09595	0.2
127.03916	1.8
131.08615	0.3
133.04948	0.2
133.10110	0.4
135.11707	0.3
137.05984	0.1
137.13261	0.4
139.11140	0.2
143.03387	7.9
143.10602	0.2
144.03720	0.3
145.10161	0.2
147.04410	0.2
147.11681	0.4
149.13231	0.3
153.01820	100.0
153.02892	6.4
154.02158	2.6
154.03365	0.2
157.10150	0.2
157.12215	0.1
159.11679	0.3
161.13333	0.2
163.03804	0.1
163.14825	0.1
171.02852	1.2
171.11708	0.1
173.13206	0.2
175.14703	0.1
181.01300	0.1
191.03386	0.2
205.05005	0.1
233.04239	0.1
237.03947	0.4
250.75110	0.1
262.37009	0.1
297.06039	1.5
305.24838	0.3
449.29022	0.1
467.07822	0.3
467.30746	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	467.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.4
51.02377	0.9
53.00291	0.1
53.03941	0.3
55.01875	0.3
55.05489	0.1
57.03427	0.1
66.52267	0.1
67.05476	0.2
68.99778	0.2
69.03431	1.4
69.07071	0.2
69.60990	0.5
74.65562	0.1
79.01853	7.5
81.03421	1.7
81.07054	0.3
83.04962	0.1
85.02888	0.2
87.00788	0.1
90.06174	0.1
91.05499	0.1
93.07039	0.2
95.08607	0.3
97.02890	2.2
97.10165	0.1
99.04433	0.2
105.07017	0.2
107.01318	1.9
107.08614	0.2
109.02875	1.1
109.10143	0.1
114.15687	0.1
119.08590	0.2
121.10122	0.1
123.00787	0.3
123.57127	0.1
125.02351	3.4
127.03915	1.5
133.10103	0.1
143.03395	7.5
144.03740	0.1
145.10146	0.2
147.11716	0.1
153.01828	100.0
153.02890	6.0
154.02156	2.6
171.02890	1.3
187.14711	0.1
191.03357	0.2
205.04800	0.2
214.58867	0.1
227.17433	0.1
233.04399	0.2
237.03978	0.2
241.11176	0.1
253.11060	0.5
259.11911	0.2
261.04025	0.2
271.12149	0.6
297.06030	1.7
305.24655	0.1
467.07895	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	467.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	0.4
51.02374	1.1
53.00304	0.2
53.03949	0.4
55.01872	0.3
57.03433	0.3
69.03431	1.6
69.87189	0.1
71.04980	0.2
72.46173	0.1
73.02914	0.4
79.01853	7.4
79.05497	0.3
80.02190	0.2
80.36305	0.2
81.03416	1.4
81.07053	3.5
82.07386	0.4
85.02905	1.3
95.01345	0.2
95.08604	0.4
97.02267	0.2
97.02888	2.8
99.04459	0.3
107.01329	2.0
109.02876	1.2
110.96392	0.1
115.03934	0.2
123.00835	0.3
125.02351	3.4
127.03922	1.9
133.04974	0.5
136.21022	0.1
137.13254	0.9
138.13597	0.3
142.69479	0.1
143.03395	7.7
145.04965	0.5
153.01825	100.0
153.02896	6.2
154.02164	2.7
163.06020	0.8
171.02879	1.1
191.03424	0.2
200.18491	0.1
229.16727	0.2
237.03882	0.3
279.48264	0.2
297.06036	1.5
322.42172	0.1
405.92743	0.1
447.71152	0.1
467.07874	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01592	0.4
50.88053	0.2
51.02377	0.8
51.71704	0.2
53.03940	0.6
55.01862	0.4
55.05508	0.7
57.03447	0.2
67.05496	0.8
68.99791	0.2
69.03424	1.5
69.07062	0.6
69.51525	0.8
69.51926	0.4
71.04980	0.4
73.02905	0.2
79.01383	0.3
79.01850	6.8
79.05492	0.4
81.03413	1.7
81.07051	1.4
85.02895	0.8
87.00806	0.2
91.05473	0.4
93.07035	0.8
95.08614	1.0
97.02888	2.4
97.10174	0.7
98.34525	0.2
99.04478	0.3
105.07022	0.8
107.01324	1.7
107.04920	0.2
107.08609	0.9
109.02860	1.1
109.10166	1.1
111.04483	0.2
119.08602	1.0
121.10125	1.0
123.00790	0.4
123.04431	0.5
123.11703	0.4
125.02342	3.4
127.03925	1.8
128.38882	0.2
128.93225	0.2
131.08571	0.2
133.10141	0.5
135.11711	0.3
137.05978	0.2
137.09618	0.8
143.03394	6.8
143.08551	0.2
145.04980	0.2
145.10127	0.5
147.08018	0.2
147.11662	0.2
149.13278	0.3
153.01822	100.0
153.02898	6.2
154.02162	2.2
159.11688	0.4
161.13229	0.3
163.03842	0.2
163.05922	0.2
163.14748	0.2
165.09111	1.3
171.02832	1.0
177.05455	0.2
187.14857	0.3
199.14999	0.2
201.16307	0.2
208.28023	0.2
269.17380	0.2
289.14273	1.3
297.06055	1.5
299.00061	0.2
347.28250	0.2
415.86096	0.2
467.08273	0.4
467.18756	0.6
467.31540	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	0.5
51.02379	1.0
53.03944	1.0
53.04164	0.2
55.01878	0.6
55.05513	2.7
57.03436	0.3
57.07061	0.5
61.22071	0.2
67.05511	1.9
67.25295	0.2
69.03434	2.6
69.07071	2.9
70.52258	0.4
70.52609	0.3
71.04989	0.7
79.01854	7.9
79.05502	1.5
81.03414	3.2
81.06630	0.4
81.07062	4.9
83.04990	1.6
83.08604	0.8
85.02914	1.1
85.06544	0.5
85.26930	0.2
87.00819	0.3
87.19440	0.2
91.05479	1.4
93.07047	3.2
95.04969	0.8
95.08608	4.2
97.02892	3.2
97.06525	0.7
97.10177	1.8
99.04454	0.8
105.07028	2.3
105.92654	0.2
107.01321	1.8
107.08602	2.8
107.09277	0.3
109.02868	1.9
109.06532	0.7
109.10168	2.8
111.04452	0.4
111.08083	0.9
111.11726	0.4
115.05445	0.2
117.06964	0.6
119.08575	2.4
121.06506	0.6
121.10146	2.2
123.08123	0.5
123.11702	1.7
125.02353	3.7
125.09624	0.5
127.03916	2.3
131.08571	0.9
133.10133	1.8
135.08095	0.3
135.11696	1.0
137.05998	0.3
137.09578	0.3
137.13246	0.4
139.11192	1.0
142.07758	0.3
143.03400	7.8
143.08609	0.6
144.03737	0.3
145.10143	1.1
147.07980	0.3
147.11673	1.4
149.05972	0.3
149.13286	1.3
151.07509	0.3
151.11169	0.5
153.01833	100.0
153.02904	5.8
153.12772	0.3
154.02164	2.6
155.29443	0.2
156.15337	0.2
157.10100	0.4
159.08133	0.3
159.11688	0.8
161.13263	0.8
163.07504	0.2
163.11172	0.3
163.14822	0.7
165.09120	0.4
165.12891	0.3
169.10094	0.3
171.02945	1.2
171.11707	0.5
173.13293	0.7
175.11215	0.3
175.14836	0.5
179.03487	0.2
185.13330	0.3
187.11252	0.2
187.14789	0.4
189.16386	0.8
191.14241	0.4
203.18037	0.3
205.15866	0.2
229.51958	0.2
261.04196	0.3
273.50113	0.2
277.25284	0.5
287.23642	0.7
297.06171	1.4
305.24725	1.4
313.10754	0.3
421.31204	0.2
449.29288	0.7
467.08322	0.2
467.25616	1.1
467.31491	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	0.4
51.02374	1.0
53.00309	0.1
53.03941	0.4
55.01870	0.3
55.05508	1.3
57.07074	0.2
67.01849	0.1
67.05499	0.9
68.99783	0.2
69.03426	1.9
69.07066	1.1
69.45799	0.8
71.04977	0.3
71.08622	0.1
79.01853	7.5
79.05490	0.7
80.02159	0.1
81.03417	2.2
81.07055	2.1
83.04961	0.4
83.08606	0.4
85.02917	0.4
85.06555	0.2
86.06061	0.5
87.00834	0.2
88.06791	0.1
91.05470	0.6
93.07055	1.1
95.04958	0.4
95.08601	1.7
97.02888	2.2
97.06537	0.3
97.10178	1.0
99.04449	0.4
105.07040	0.8
107.01323	1.9
107.08596	1.3
109.02874	1.4
109.06528	0.3
109.10159	1.2
111.04478	0.2
111.08090	0.3
111.11717	0.3
115.06821	0.1
117.07074	0.2
119.08578	0.9
121.06482	0.1
121.10136	0.9
122.10526	0.2
123.00795	0.4
123.04491	0.1
123.08088	0.2
123.11681	0.7
125.02353	3.4
125.09597	0.4
127.03928	1.9
131.04912	0.2
131.08501	0.6
133.10127	0.6
135.08087	0.2
135.11734	0.5
137.05994	0.2
137.13280	0.1
139.11179	0.3
141.07031	0.1
143.03401	8.5
143.08566	0.2
143.10678	0.2
144.03755	0.3
145.10146	0.5
147.04411	0.2
147.11681	0.4
149.09615	0.2
149.13222	0.6
151.07529	0.1
151.11162	0.2
153.01828	100.0
153.02901	6.7
154.02165	2.6
154.03377	0.3
155.08537	0.1
157.10127	0.3
157.12279	0.3
159.08005	0.2
159.11699	0.3
161.09639	0.2
161.13248	0.4
163.03986	0.1
163.14767	0.2
169.10007	0.2
171.02892	1.1
171.11685	0.3
173.13301	0.2
175.14752	0.2
177.16443	0.2
179.03351	0.1
181.12247	0.1
185.13255	0.2
187.11227	0.1
187.14880	0.2
189.12840	0.2
189.16479	0.2
195.02928	0.1
197.13182	0.2
199.14812	0.2
211.14835	0.2
215.14308	0.2
233.04491	0.2
237.03886	0.3
277.25336	0.1
297.06085	1.4
297.11142	0.1
305.24753	0.2
313.64633	0.1
328.73093	0.1
329.16302	0.1
382.30838	1.0
431.27670	0.1
449.29706	0.3
467.08197	0.2
467.26074	0.7
467.32022	0.2
467.36731	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	0.5
51.02374	1.2
53.00309	0.3
53.03942	0.4
55.01860	0.2
56.96539	0.2
61.02890	0.2
68.99801	0.2
69.03428	1.6
69.07053	0.3
69.33700	0.8
69.34111	0.3
71.04981	0.4
79.01852	7.2
79.05495	0.2
81.03413	1.8
82.20131	0.2
84.80486	0.1
85.02900	0.9
87.00801	0.2
89.06017	0.2
97.02898	3.0
98.97581	0.3
99.04453	0.4
105.07061	0.2
107.01307	2.0
107.04336	0.2
107.04942	1.0
108.05249	0.4
109.02859	1.5
116.53815	0.2
122.05793	0.2
123.00869	0.2
123.04416	0.7
125.02343	3.9
127.03916	2.4
137.02336	0.3
137.06010	0.2
139.03897	0.3
139.96091	0.2
139.99281	0.2
143.03391	7.8
145.04971	0.4
147.04384	0.2
151.03908	0.2
153.01823	100.0
153.02887	5.6
154.02150	2.5
160.66240	0.2
163.03854	0.2
165.05431	0.2
167.07120	0.2
169.09717	0.4
171.02864	1.8
179.03416	0.2
184.05742	0.3
191.03377	0.3
197.98541	0.2
233.04425	0.2
237.03935	0.2
245.08047	0.3
248.48505	0.2
287.09033	0.2
297.06067	1.4
303.04904	0.4
304.05243	0.4
305.05573	1.2
311.63348	0.2
314.12289	0.2
328.09979	0.2
339.54959	0.2
379.12650	0.2
407.15887	0.2
436.36548	0.2
467.12854	0.2
467.19046	4.9
468.14667	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	467.1546
Annotation	CHEBI:68328
Peak:m/z	Relative Intensity
51.02359	0.4
53.03930	1.3
55.01855	1.6
57.03424	1.0
57.48631	0.3
61.02915	1.4
62.10891	0.3
65.03928	1.0
67.05511	2.9
68.99775	1.8
69.03429	5.5
69.37470	1.4
69.37868	0.9
71.04980	0.6
73.02923	0.9
77.03941	0.4
79.01871	0.9
79.05495	3.6
81.03411	1.9
81.07044	1.1
85.02903	12.5
87.04456	0.8
91.03965	0.5
91.05463	1.1
94.04196	2.5
95.04960	4.7
97.02885	3.7
97.06521	1.2
99.04469	0.6
105.03352	0.4
107.01299	0.4
107.04958	0.8
109.02873	1.4
109.06532	2.1
110.03643	0.5
111.04438	0.8
119.04933	4.8
123.04426	25.4
124.04739	0.8
125.02332	0.5
125.05994	1.6
127.03917	2.0
132.48917	0.3
135.04402	1.4
137.05968	1.4
139.03928	0.8
139.20540	0.4
141.05479	3.5
143.03447	0.9
145.04973	1.1
147.04402	15.6
148.04803	0.8
151.03867	0.4
153.01871	11.7
153.05457	100.0
154.05820	2.5
163.03918	0.4
165.05467	18.3
177.05475	0.6
183.06503	1.7
189.05513	0.6
195.06488	0.8
255.11349	0.4
287.09021	2.6
305.10175	5.1
328.13232	0.5
445.45615	0.4
449.31393	0.6
467.15186	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
53.58121	0.6
54.60063	0.6
65.03934	4.0
69.03421	1.9
69.86341	2.5
81.03417	8.4
85.02908	3.8
95.04981	5.3
97.02897	5.4
98.22633	0.7
99.04431	0.9
100.11293	0.7
100.70432	0.6
103.03934	0.8
104.08556	0.6
109.02865	3.6
111.04426	2.2
121.02863	100.0
122.03197	1.9
125.05964	1.6
127.03915	2.3
139.03888	14.5
142.30141	0.6
153.01816	8.4
153.02930	1.0
153.05443	1.5
170.05698	0.7
181.05037	0.6
185.08092	3.5
209.08188	1.1
223.06079	1.5
265.07059	10.5
275.09158	2.8
276.09274	0.6
283.08078	2.9
424.19922	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.7
53.03940	0.3
53.26714	0.3
61.89623	0.5
66.49165	0.3
69.03411	1.3
70.02948	0.4
70.44122	1.0
73.17792	0.3
78.97230	0.3
79.01844	4.2
81.03403	1.0
97.02871	1.3
106.51891	0.3
107.01317	0.7
109.02864	0.5
123.04405	0.8
125.02310	1.9
127.03896	2.1
131.65457	0.3
135.04379	0.5
136.17705	0.3
137.05946	0.3
139.03923	1.0
143.03380	4.3
143.04422	0.5
145.03581	0.3
147.04449	0.4
149.34912	0.3
151.03902	0.8
153.01816	57.3
153.02890	3.2
154.02155	1.8
161.66595	0.3
163.03914	0.7
171.02884	0.6
179.03410	0.3
181.04941	0.6
195.22583	0.3
201.09096	1.2
203.03372	0.4
203.05234	0.4
261.07690	0.6
273.03540	0.3
279.14548	1.0
282.10345	0.4
287.12497	2.0
297.05963	0.8
297.15424	0.3
299.05487	0.4
305.13394	0.5
309.18161	0.4
323.13382	1.0
347.13562	1.1
358.63254	0.4
365.14359	0.8
403.13217	0.3
426.41168	0.3
449.17828	2.3
450.17926	0.6
467.18845	100.0
468.19202	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	467.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.5
55.05503	0.2
56.84424	0.2
57.03420	0.5
67.05463	0.3
70.60960	0.6
75.04472	0.3
78.04691	1.4
79.05491	1.3
81.03398	0.2
81.07059	0.4
91.05457	0.8
93.03390	0.3
93.07039	0.5
95.04956	0.3
103.05467	0.4
105.03403	0.3
105.07007	1.7
106.04161	1.3
107.04936	1.8
107.08575	0.2
109.06520	0.4
114.09169	0.7
117.06990	0.3
119.04985	0.2
121.06490	1.0
122.03615	0.4
123.04427	4.3
124.05230	1.5
125.06005	0.2
133.06494	1.4
134.03613	0.4
135.04437	0.3
137.05930	1.0
139.03880	0.2
143.03462	0.3
145.10089	0.3
149.05959	1.5
150.40741	0.2
151.03897	1.0
152.04694	1.2
153.01817	4.3
153.02968	0.3
153.05437	0.7
160.05095	0.2
161.06010	1.2
165.05457	0.7
166.06229	0.4
167.07022	100.0
168.07385	3.0
177.05402	0.3
179.07024	0.6
181.08566	1.5
193.08577	4.7
209.08055	1.3
211.09633	4.1
214.42094	0.2
237.11275	0.3
241.10590	1.1
254.58803	0.2
267.12250	1.6
285.13266	0.9
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
50.30168	0.2
53.03938	0.4
55.01866	0.3
55.05505	0.3
55.12195	0.2
57.03437	0.5
67.05495	0.6
68.75144	0.2
69.03441	0.3
71.04978	0.4
71.31965	0.4
78.04704	1.7
79.01836	1.0
79.05483	1.2
81.03397	0.4
85.02894	0.5
85.69404	0.2
91.05495	1.0
93.03395	0.3
93.07040	0.6
95.04965	0.6
97.02895	0.3
99.45987	0.2
103.05457	0.6
105.03391	0.2
105.07039	1.7
106.04160	1.4
107.01293	0.2
107.04965	1.8
107.08540	0.2
109.02880	0.5
109.06529	0.4
109.10117	0.3
115.05470	0.3
117.06957	0.3
119.04955	0.3
121.06560	1.0
121.07231	0.2
122.03634	0.2
123.04433	4.8
123.08040	0.2
124.05291	1.2
125.02341	0.4
125.05953	0.3
127.03922	0.8
131.08638	0.2
133.06497	1.2
133.10124	0.3
134.03569	0.3
135.04451	0.4
137.02353	0.2
137.05968	0.7
139.03870	0.3
143.03459	1.3
147.04387	0.3
149.05974	1.9
151.03903	1.4
151.07509	0.5
152.04678	1.3
153.01833	17.0
153.02911	0.8
153.05466	0.6
153.09021	0.2
154.02144	0.5
161.05994	1.2
163.03896	0.4
165.05490	0.7
165.09158	0.3
166.06265	0.2
167.07039	100.0
168.07391	3.2
177.05466	0.5
179.07106	0.5
181.08614	1.5
191.03377	1.3
193.08611	4.8
209.08060	1.5
211.09671	4.2
241.10785	1.0
267.12271	2.0
279.10263	0.2
285.13315	0.7
343.07806	0.5
434.71161	0.2
467.13962	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3154
Annotation	Stellettin K
Peak:m/z	Relative Intensity
55.05514	11.6
65.03915	3.4
66.26242	3.4
67.05503	19.8
69.07076	13.9
71.32793	6.3
74.05786	3.4
79.05479	15.3
81.07053	36.3
83.04981	7.9
83.08611	11.2
91.05474	17.7
93.07034	29.5
95.04951	5.8
95.08608	40.4
97.10178	5.3
105.07030	44.2
107.08593	36.8
109.06484	4.3
109.10139	25.4
111.08057	7.4
115.05495	6.5
117.07009	12.9
119.08582	53.1
120.98863	3.3
121.06525	5.4
121.10127	30.8
123.08072	13.2
123.11703	10.0
128.06194	6.4
129.07010	8.2
131.08546	32.9
133.10152	36.6
135.08067	5.2
135.11662	12.9
137.09599	10.1
137.13321	4.8
139.11134	4.9
141.07002	6.5
142.07741	7.6
143.03433	4.6
143.08543	33.6
145.10114	43.5
147.08000	4.5
147.11664	23.7
149.09673	9.6
149.13301	11.9
151.07520	13.0
151.11153	5.5
153.01814	27.9
155.08604	9.3
156.09344	10.7
157.10109	30.1
159.11693	38.2
161.09615	4.6
161.13245	24.0
163.11185	5.1
163.14854	4.1
165.09006	3.4
167.08522	6.2
169.10144	21.2
170.10802	3.8
171.11703	28.6
173.09685	4.3
173.13266	41.5
175.11165	4.7
175.14838	12.7
177.12793	8.6
179.14311	4.4
181.10164	7.2
183.11638	20.5
184.12267	5.9
185.13211	40.7
187.07581	3.9
187.11278	4.3
187.14722	21.0
189.12759	11.0
189.16345	6.5
191.14366	18.5
193.10106	4.4
195.11719	10.0
197.13245	19.0
199.11157	8.3
199.14836	34.8
201.12753	6.8
201.16438	23.1
203.14371	14.2
205.12253	4.3
205.15877	11.5
207.11700	7.3
209.13321	14.1
211.14839	15.7
213.12596	3.5
213.16356	16.0
215.14360	15.5
215.17999	9.6
217.12396	6.7
217.15990	12.4
219.13708	3.8
221.13237	6.4
223.14861	11.6
225.12683	4.1
225.16409	10.6
227.17961	8.2
229.15942	9.8
231.13815	5.3
231.17444	7.7
233.15341	4.9
237.16374	8.3
239.17960	14.2
241.19473	5.9
243.17592	4.5
245.15367	5.1
245.19029	8.0
249.16234	5.3
249.18585	6.3
251.17976	12.2
253.19469	11.5
257.18762	4.4
267.17578	4.2
269.10654	5.8
269.18915	20.7
271.12250	4.2
283.20578	4.7
285.18427	5.2
293.22516	3.7
297.18375	5.0
305.22308	4.3
309.22171	5.4
317.22678	4.8
333.22141	4.4
337.21646	4.4
361.25156	4.3
369.19315	9.5
387.20538	8.0
391.29916	22.5
393.31387	6.1
403.30045	36.3
405.31476	12.0
419.29288	5.6
421.31064	100.0
422.31760	7.8
431.29672	6.4
437.30463	23.8
449.30804	28.3
467.22382	9.2
467.32144	66.0
468.31744	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	467.3153
Annotation	Stellettin K
Peak:m/z	Relative Intensity
50.14911	0.9
52.22870	0.8
52.67527	1.0
53.03942	0.9
55.05500	8.0
57.03456	0.9
57.07066	1.2
59.05009	1.1
61.35986	0.8
67.05500	13.9
69.03431	1.2
69.07061	9.0
70.21027	1.3
70.21362	2.6
71.04988	3.3
79.05480	8.6
79.96615	1.0
81.07047	14.9
82.07393	1.0
83.04980	2.8
83.08597	5.1
85.06531	1.4
91.05465	9.6
93.07036	14.5
95.04976	2.7
95.08598	28.2
97.06538	3.5
97.10169	2.6
99.08120	2.4
105.07009	15.2
107.04866	1.2
107.08586	20.1
109.06522	2.9
109.10144	20.4
111.08116	2.6
115.05510	1.2
117.07054	4.0
119.08570	32.8
119.09416	1.9
119.62012	0.8
120.08911	1.1
121.06490	2.1
121.10133	17.6
123.08091	3.9
123.11688	5.7
125.06098	0.9
125.09655	2.9
128.06230	1.7
128.65945	0.9
129.07024	3.7
131.08549	13.8
133.06483	1.8
133.10112	12.6
134.10599	0.9
135.08078	6.2
135.11696	8.0
137.09618	9.7
137.13234	1.7
139.07503	1.2
139.11205	2.3
141.07014	2.0
142.07806	2.0
143.08556	8.3
144.09361	1.8
145.10106	19.5
146.10516	0.9
147.08076	2.9
147.11655	6.7
149.09662	4.1
149.13235	4.5
151.07608	1.6
151.11205	2.5
153.09198	1.2
153.12756	3.2
155.08513	5.6
156.09340	1.7
157.10138	14.4
158.10544	1.2
159.08018	2.1
159.11668	15.3
159.12881	1.0
161.09666	3.8
161.13229	7.1
163.07610	1.3
163.11217	3.1
163.14885	2.7
165.12726	1.1
167.08636	1.5
168.09303	1.4
169.10199	5.7
171.11684	10.0
172.12457	0.9
173.09607	2.2
173.11925	1.8
173.13261	8.1
175.11203	2.4
175.14833	6.0
177.12723	6.7
177.16411	2.2
179.08543	1.7
179.14276	5.1
181.10179	8.0
181.12161	1.4
183.11688	16.2
184.12199	2.1
185.13246	10.5
187.11247	2.0
187.14809	27.2
188.15242	1.6
189.12788	2.8
189.16362	8.9
191.14381	3.2
193.10188	1.5
195.11745	5.2
195.13840	7.6
196.12485	1.8
197.11761	0.9
197.13210	4.7
199.11214	1.8
199.14877	3.9
201.12793	1.9
201.16399	8.7
203.14404	5.1
203.18019	2.3
205.15897	2.1
207.11690	2.1
209.13287	8.4
209.15083	1.2
211.14755	5.0
213.12813	2.5
213.16348	7.5
215.14253	5.0
215.17894	1.2
216.14789	1.0
217.12408	1.0
217.15930	2.4
219.13820	1.6
219.17519	1.8
221.13365	1.8
221.15480	3.6
223.14876	2.3
225.16467	3.6
227.17926	7.3
229.15915	1.7
229.19598	1.2
231.13933	2.1
233.13266	1.1
233.15450	2.9
235.14900	2.0
236.15436	1.2
237.16251	5.0
239.14531	1.8
239.17998	3.8
241.15842	1.2
241.19498	6.0
243.17522	1.5
247.16974	1.6
251.17947	23.9
252.18663	4.4
253.19482	7.1
259.16995	1.8
261.16403	1.4
263.18176	1.3
265.19644	2.6
267.21136	1.7
269.19110	3.3
271.16989	1.1
277.19598	3.8
279.21048	9.6
281.19009	1.5
283.20911	1.3
285.18512	1.8
291.21231	1.6
297.18442	11.6
297.21249	1.2
299.20212	1.9
305.22617	1.9
309.22223	1.3
311.19809	1.1
317.22800	2.8
325.21704	1.7
345.25726	2.2
361.25275	2.0
363.27008	1.3
379.30020	1.7
385.29025	4.4
403.29950	12.7
404.30203	1.4
405.31738	2.9
421.30994	30.4
422.31479	3.2
431.29617	2.3
449.30542	22.6
450.30988	2.9
452.44608	1.2
456.71152	1.0
467.31650	100.0
468.31912	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	467.3152
Annotation	Stellettin K
Peak:m/z	Relative Intensity
53.03946	0.6
54.25962	0.5
55.01862	0.7
55.05509	4.6
57.07073	1.5
59.05012	0.7
67.05499	9.0
69.03417	1.1
69.07064	6.5
71.33624	0.8
75.02290	0.5
76.10162	0.5
79.05485	6.2
81.07051	12.4
83.04987	2.5
83.08614	2.5
85.06544	1.2
91.05470	8.7
93.07034	11.8
95.04998	1.4
95.08596	15.8
97.06539	2.6
97.10168	0.9
99.08112	1.1
105.07024	15.5
107.08587	14.9
109.06502	3.7
109.10148	11.2
111.08096	1.5
113.84577	0.6
115.05540	0.5
117.06980	3.6
119.08569	18.3
121.06470	1.3
121.10130	10.2
123.08066	7.1
123.11694	4.2
125.05983	0.8
125.09629	2.1
127.07648	0.7
128.06212	0.9
129.07021	1.8
131.08563	8.9
133.06503	1.2
133.10123	12.5
134.10561	0.7
135.08020	3.1
135.11696	6.2
137.05891	0.6
137.09645	2.4
137.13303	1.0
139.11154	1.3
141.06993	1.0
142.07784	1.2
143.08557	4.8
144.09279	0.6
145.06421	0.7
145.10117	12.6
147.08049	1.3
147.11664	9.3
148.12033	0.6
149.02373	0.6
149.09636	2.0
149.13255	3.0
151.07498	0.5
151.11197	2.3
153.09126	0.7
155.08513	3.2
156.09334	1.0
157.10097	8.3
157.11212	0.7
158.10838	0.8
159.08093	0.8
159.11673	9.3
161.09659	1.9
161.13248	7.1
161.14308	0.6
163.11238	1.9
163.14885	2.1
167.08603	0.8
169.10077	3.2
170.10945	1.2
171.11685	7.8
173.09660	1.5
173.13260	7.8
175.11209	1.5
175.14803	3.9
177.12793	3.4
177.16403	0.9
179.14391	0.7
181.10141	1.9
182.10959	0.9
183.11676	5.0
185.09650	1.2
185.13222	6.5
187.11235	1.9
187.14781	6.7
189.09164	0.7
189.12715	2.9
189.16402	3.3
191.10771	0.7
191.14359	2.0
191.18021	0.7
195.11754	2.4
197.13242	4.5
198.13759	0.7
199.14836	3.7
201.12753	1.5
201.16333	3.3
203.14336	2.7
203.18071	0.8
205.15897	1.2
207.11769	1.1
209.13277	2.6
210.13882	0.8
211.14870	2.5
212.15385	0.7
213.12764	1.8
213.16295	4.3
215.14412	1.7
215.17903	1.4
217.12270	0.7
217.15948	1.7
221.13364	1.0
223.14842	2.7
225.16360	3.0
227.14340	0.9
227.18008	2.2
227.70758	0.6
229.15952	1.9
229.19484	1.1
231.13902	1.5
231.17422	1.3
233.13257	1.0
233.15489	1.2
237.16492	2.4
239.17986	1.9
241.15718	1.0
241.19547	1.5
243.17531	1.6
245.18915	1.2
249.16461	1.3
251.17955	1.7
253.15984	0.6
253.19624	1.2
255.17435	1.4
257.15430	0.7
257.19159	1.0
259.17123	1.0
265.19525	2.1
267.21097	1.0
269.19113	0.9
271.17206	0.8
271.20468	0.6
273.18561	0.8
275.17648	0.8
281.19107	0.8
283.20752	0.7
293.19220	0.8
293.22543	0.6
307.24286	0.9
309.22552	0.6
311.20078	1.2
319.23975	0.7
321.21780	0.7
339.23288	0.8
347.23773	0.7
351.23172	0.8
353.24753	1.4
377.74051	0.6
385.28989	0.6
393.31744	1.5
403.29971	5.1
404.30948	0.7
421.31161	7.3
422.31506	1.3
431.29910	1.4
449.30704	7.8
450.31232	0.8
467.31638	100.0
468.31934	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	467.3155
Annotation	Mastigophorene A
Peak:m/z	Relative Intensity
51.33967	0.3
53.13248	0.3
55.05515	1.7
57.07062	0.5
65.03931	0.4
66.11481	0.3
67.00651	0.3
67.05502	2.8
69.03444	0.5
69.07067	2.7
73.51045	0.3
76.51286	0.3
76.62986	0.3
79.05489	3.1
81.07066	4.2
83.08605	0.9
89.24043	0.3
91.05463	2.2
93.07048	4.8
95.04961	0.6
95.08604	6.2
97.06536	1.0
97.10194	0.6
98.22500	0.7
103.05447	0.5
105.07034	8.1
107.08594	5.9
109.06527	0.7
109.10133	2.6
111.08079	0.8
112.67486	0.3
115.05418	0.4
117.07030	1.2
119.08581	8.5
120.08923	0.4
121.06524	0.7
121.10145	5.9
123.08080	0.9
123.11681	0.4
129.07022	1.2
131.08554	3.7
133.06444	0.5
133.10110	4.6
135.07986	1.5
135.11699	1.6
137.09604	0.6
141.06934	0.4
142.07788	0.6
142.63115	0.3
143.08554	2.5
144.09386	0.5
145.06551	0.3
145.10123	6.1
147.08072	1.0
147.11665	3.3
149.09639	1.7
149.13274	1.1
153.09105	0.4
155.08591	1.0
156.09412	0.6
157.10136	3.3
158.10835	0.9
159.08115	0.8
159.11699	5.0
160.12259	0.3
161.09663	1.6
161.13229	2.4
163.07549	0.5
163.11205	0.8
163.14806	2.1
167.08563	0.4
169.10162	1.3
170.10902	0.9
171.08115	0.5
171.11688	2.4
173.09663	0.8
173.13263	8.2
175.11197	0.8
175.14810	5.2
177.16379	1.1
181.10081	0.5
183.11678	1.0
185.09633	1.4
185.13263	3.5
187.11188	1.3
187.14810	4.8
189.12775	1.2
189.16393	2.4
191.14273	0.5
195.11664	0.8
197.13286	1.5
199.11154	0.7
199.14771	2.3
201.12788	0.9
201.16438	1.1
203.14307	1.7
205.15936	1.4
207.11812	0.4
209.13235	0.9
211.14874	1.1
213.12718	4.1
213.16385	0.8
214.13263	0.6
215.14268	2.5
215.17989	0.4
217.12338	0.3
217.15912	1.1
223.14883	0.9
225.16385	1.0
227.14363	1.1
227.17963	0.9
229.15904	0.8
231.13779	3.8
231.17438	0.7
233.15424	0.9
235.14763	0.4
237.16260	0.6
239.14372	0.4
239.18042	0.5
241.15851	0.5
241.19489	0.7
243.17491	0.9
251.17914	0.7
253.15880	0.5
253.19521	0.6
255.17389	0.4
257.19098	0.4
263.18045	0.5
265.19403	0.4
267.21024	0.4
269.19009	0.4
279.17407	0.5
289.18115	1.2
345.25708	0.4
349.25034	0.5
373.25589	0.4
375.30695	0.6
377.28238	0.4
385.28909	0.5
403.29938	2.4
405.27914	0.7
409.27280	0.6
419.25699	0.4
421.31033	6.4
422.31506	0.8
423.28912	3.5
424.29401	0.5
431.30161	0.7
449.30658	4.0
450.31055	0.5
467.31573	100.0
468.31888	13.3
485.62457	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3155
Annotation	Stellettin K
Peak:m/z	Relative Intensity
53.03937	4.6
55.05516	11.5
59.02778	3.3
66.57240	2.5
67.05493	23.5
69.03420	4.1
69.07064	10.5
70.65036	6.7
74.46704	2.9
79.01853	8.6
79.05484	24.0
81.03426	5.0
81.07054	46.7
83.04985	35.1
83.08607	10.5
85.06530	3.3
87.70390	3.0
91.02585	3.0
91.05479	29.2
93.07035	36.4
95.04947	5.9
95.08593	36.9
97.06523	4.9
103.05458	4.4
105.07022	79.7
107.04940	7.7
107.08593	40.8
109.06527	8.6
109.10155	30.5
111.08074	8.6
115.05420	5.0
115.79618	2.8
117.07018	14.2
119.08575	79.5
121.06533	5.0
121.10138	30.2
123.04393	3.0
123.08038	9.2
123.11725	8.6
125.38512	3.9
128.06201	6.7
129.07028	13.4
131.08574	47.8
133.06523	8.9
133.10118	46.1
135.08089	7.1
135.11697	12.8
137.05978	10.8
137.09572	4.3
141.07036	4.2
142.07800	11.7
143.03404	8.8
143.08565	34.4
145.10098	55.1
146.10373	4.0
147.11662	34.8
149.04822	3.0
149.06018	5.2
149.09604	4.3
149.13306	9.0
151.07588	3.7
151.11153	4.2
153.01822	100.0
153.03027	7.8
155.08553	10.0
156.09286	6.3
157.10129	38.8
158.10904	4.3
159.11710	41.4
161.09662	11.9
161.13264	20.2
161.52029	2.9
163.07562	7.3
165.09038	3.1
167.07045	11.1
169.10144	11.5
170.10941	9.7
171.11671	24.9
173.09792	2.9
173.13243	32.7
174.13695	3.1
175.11195	4.8
175.14809	22.0
175.87613	3.4
177.12706	3.9
179.14322	3.5
181.09998	5.6
182.10889	3.6
183.11664	17.7
184.12465	5.4
185.13251	32.7
185.76572	3.8
187.14841	31.3
189.12772	5.3
189.16382	15.6
191.14296	7.2
193.08615	22.2
195.10138	5.9
195.11781	5.9
197.13295	9.1
199.14792	35.5
201.12732	4.7
201.16354	15.1
203.14319	24.3
205.15891	9.6
207.11736	4.2
209.13336	7.2
211.09602	21.0
211.14822	11.5
213.16386	9.6
217.15880	18.2
223.14786	5.7
225.16356	6.0
229.15906	6.6
231.17459	13.3
237.16391	4.4
239.17944	4.3
243.17467	5.9
251.17873	4.1
257.18942	5.6
265.19641	3.7
279.40826	3.5
283.20706	3.5
309.22287	3.7
337.25494	3.6
383.26007	4.1
385.29355	3.3
391.29953	4.9
403.29947	13.9
403.34625	3.1
421.31036	28.7
422.30920	4.0
431.29126	3.6
437.30173	7.5
449.30399	13.5
467.22821	5.9
467.31406	43.9
468.31628	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	467.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
55.01860	2.1
55.05509	12.2
57.07067	2.5
65.03921	1.3
67.05177	1.2
67.05505	19.2
67.90356	0.9
69.07066	14.9
69.34649	3.5
69.35074	2.6
71.04974	3.1
71.40957	0.8
79.05052	1.0
79.05490	16.7
80.57750	0.8
81.03414	1.1
81.07056	24.3
82.07350	1.0
83.04962	3.4
83.08609	5.5
85.06535	1.2
88.07627	0.9
91.05473	13.1
93.07048	22.5
95.04948	3.1
95.08035	1.6
95.08605	23.6
97.06504	3.5
97.10129	4.4
99.08128	1.1
103.05424	0.8
105.07029	16.4
107.04888	1.9
107.08598	20.1
107.09319	0.8
109.06485	2.6
109.10159	15.1
111.04400	1.0
111.08052	2.1
111.11728	0.8
115.05467	1.0
116.06170	1.0
117.07037	6.1
119.07751	1.5
119.08569	20.7
120.08836	1.1
121.06490	2.9
121.10135	20.2
123.08051	2.9
123.11724	6.0
125.09618	2.7
129.06985	3.5
131.08566	11.0
133.06453	2.2
133.10117	15.2
135.08037	5.9
135.11681	8.8
137.09631	4.9
139.11159	3.4
141.06926	1.4
142.07738	2.0
143.08569	6.1
144.09308	1.2
145.06415	1.6
145.10114	14.1
147.08025	2.0
147.11699	10.4
149.02318	1.5
149.09608	6.2
149.13254	4.9
151.11206	1.4
153.00671	1.0
153.01842	13.2
153.02988	0.8
153.06992	1.3
153.09087	3.4
153.12634	0.8
155.08537	2.9
155.10564	1.5
156.09271	2.0
157.10126	11.3
158.10712	1.2
159.08080	1.6
159.11679	10.1
161.09608	3.3
161.13240	6.7
163.07495	1.0
163.11185	5.7
163.14804	1.9
165.12738	1.2
167.08551	1.5
167.10681	3.9
169.10126	5.2
170.10779	0.8
171.11679	11.0
173.09682	1.6
173.13235	11.0
175.11218	3.0
175.14810	2.8
177.12688	3.9
177.16435	1.1
181.10057	1.4
181.12212	3.7
182.10913	1.9
183.11694	7.8
185.13297	7.0
187.11176	1.5
187.14825	10.7
189.11110	1.7
189.12726	2.7
189.16379	2.9
191.14284	1.8
193.04991	1.1
193.10306	0.9
195.11679	2.6
195.13911	1.0
197.13246	5.9
199.11122	1.3
199.14812	4.4
201.12701	1.6
201.16396	6.4
203.14331	1.4
207.11694	1.6
207.13721	1.2
209.13213	2.5
211.14815	3.8
213.16389	3.6
215.14304	2.5
215.17920	1.8
217.12114	1.1
219.13869	1.1
223.14803	3.1
225.16431	2.8
227.14354	1.1
227.17924	10.0
229.15907	1.8
229.19548	5.1
233.13200	1.2
233.15279	1.3
235.14810	1.4
237.07504	1.2
237.16373	2.3
239.18092	4.5
241.19530	4.5
243.17303	1.4
245.19055	1.2
247.20677	1.5
249.16347	1.1
251.17865	2.9
253.16014	1.0
253.19482	4.6
255.17520	1.0
255.21155	2.5
256.26199	1.0
257.19009	3.1
257.26569	1.3
263.17819	1.0
265.19403	1.2
267.20987	3.4
273.18457	2.6
275.20102	13.2
277.19205	1.0
279.23373	1.2
287.20227	0.9
289.19162	1.2
291.20877	1.2
293.21048	14.4
295.20245	0.9
307.20404	1.1
311.69238	1.0
313.21765	1.4
317.22675	1.0
325.21512	3.8
333.22144	1.3
339.22974	1.3
351.23080	1.6
365.24597	1.0
381.27747	1.2
385.29010	3.3
395.29474	1.1
403.30048	11.0
404.30353	1.6
413.30493	2.7
421.31049	41.1
422.31372	4.6
431.31744	7.8
439.31906	1.6
449.30975	10.1
467.30368	100.0
468.31226	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	467.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.1
53.03924	2.5
53.55932	0.6
55.01848	2.4
55.05511	15.6
57.03426	1.0
57.07072	3.3
63.13781	0.5
65.03928	1.0
65.31319	0.6
67.05169	1.3
67.05504	17.0
69.03429	5.9
69.07068	18.8
70.02017	2.3
71.04979	2.0
71.08599	0.7
73.02921	0.8
79.01846	6.9
79.05491	9.8
81.03024	0.7
81.03421	8.5
81.07057	29.0
82.07380	0.7
83.04980	8.2
83.08173	0.6
83.08623	5.6
85.02900	2.6
85.06537	2.1
86.06046	0.9
87.04456	2.1
91.05481	9.5
93.07044	19.1
93.82150	0.6
95.04958	3.8
95.08607	34.5
96.08926	1.1
97.02892	4.4
97.06522	2.4
97.09696	0.6
97.10174	6.6
99.04422	1.8
99.08099	1.1
103.05454	1.0
105.04516	1.0
105.06464	0.7
105.07028	18.6
106.07352	0.8
107.01296	2.0
107.04961	0.6
107.08592	21.7
108.08931	0.7
109.02890	3.2
109.06534	2.9
109.10158	31.5
110.10481	0.9
111.04451	1.5
111.08070	4.0
111.11752	4.5
113.09598	0.7
115.05473	1.2
117.07005	6.5
119.08575	17.9
121.06509	2.4
121.10143	16.6
123.04391	1.0
123.08057	1.9
123.10875	0.9
123.11710	9.6
125.02365	4.2
125.06023	0.8
125.09629	1.7
127.03898	5.5
128.06268	0.6
129.07004	2.7
131.08571	9.3
133.06480	0.8
133.10132	11.2
135.08070	1.2
135.11691	8.9
137.05948	2.2
137.09598	2.3
137.13245	3.2
139.11194	4.4
141.06961	0.7
142.07751	1.3
143.03395	7.6
143.08571	5.5
143.10683	0.7
144.09286	1.1
145.06500	0.7
145.10117	14.5
146.10515	1.0
147.08028	1.3
147.11688	12.6
148.12006	0.7
149.05974	1.5
149.09633	2.4
149.13257	8.3
151.07567	1.3
151.11215	2.0
151.14804	1.2
153.01828	100.0
153.02913	6.3
153.12767	1.5
154.02147	5.2
154.03253	0.7
154.07768	0.8
155.08560	1.9
156.09404	1.3
157.10136	6.9
157.12190	1.0
158.10826	1.0
159.08060	1.3
159.11693	10.3
161.06012	0.6
161.09613	1.5
161.13264	7.4
163.07553	1.2
163.11217	1.1
163.14848	4.4
165.09070	0.9
165.12830	1.4
167.08527	0.9
168.09381	0.9
169.10130	4.3
171.02971	1.3
171.11684	6.9
172.12396	0.6
173.09659	1.1
173.13246	7.3
175.07509	0.9
175.11150	0.9
175.14856	4.6
177.12807	1.3
177.16432	3.1
179.10674	0.7
179.14320	0.8
180.09372	0.7
181.10162	2.3
182.10889	0.7
183.11699	3.7
185.09628	1.2
185.13234	4.5
187.11252	1.0
187.14825	7.7
189.12762	1.8
189.16385	7.4
191.10677	1.1
191.14392	1.7
191.17941	1.7
193.12265	0.8
193.15842	0.8
195.11700	2.2
196.12372	0.8
197.13266	2.9
199.11273	0.8
199.14824	4.8
201.12622	1.4
201.16418	6.5
203.10684	0.9
203.14368	1.1
203.17973	5.1
205.12221	0.7
205.15881	2.1
205.19443	1.1
207.11752	0.8
207.17415	1.0
209.13332	2.2
211.14827	2.1
213.16325	3.0
215.14311	1.0
215.17972	2.3
217.12343	2.2
217.15932	2.0
219.13777	0.8
221.13339	1.0
223.14871	2.8
225.16412	2.4
227.14363	1.1
227.17992	2.1
231.13724	1.1
233.08031	3.0
233.15445	1.1
234.09045	0.6
235.14859	1.1
237.16469	2.5
239.14291	0.7
239.17967	2.7
241.19562	0.8
243.13829	0.8
245.08078	1.4
245.11674	0.6
245.15401	0.8
249.16403	1.2
251.18138	1.1
253.19551	1.4
259.17010	1.1
263.09073	4.3
263.18121	1.2
265.19479	5.8
267.21133	2.2
269.15366	0.7
269.22745	1.6
271.17111	1.7
277.19604	1.6
277.25385	2.6
279.21054	1.9
280.21277	0.7
281.22592	1.3
285.18497	1.2
287.09247	0.9
287.20428	0.8
287.23740	1.8
291.21106	1.1
293.19403	0.6
293.22675	1.6
297.06116	1.3
305.24875	6.2
309.18509	1.0
311.20087	4.4
319.23914	0.7
325.21683	1.3
327.19873	0.8
328.23621	0.7
329.10172	0.7
333.25717	1.0
337.21613	1.1
339.23209	1.0
347.11215	0.7
351.23398	0.9
365.12347	1.2
365.24792	0.8
375.30396	5.0
376.30978	0.9
377.32208	1.4
379.26529	1.8
382.31030	9.7
393.31732	2.0
403.29868	1.7
409.27377	0.7
421.31009	29.0
422.31461	3.0
423.32367	3.1
431.28384	1.4
439.32288	0.9
449.30408	4.6
467.31583	22.3
467.37827	1.1
468.34912	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19253	0.4
55.05507	0.9
57.07060	1.2
67.05510	2.1
69.07064	1.6
69.40981	2.5
71.08625	0.8
75.76973	0.4
79.05496	1.0
81.07072	2.6
83.08604	0.7
85.10175	0.6
89.06023	1.3
91.05508	1.1
91.74185	0.4
93.07047	1.3
95.04975	0.6
95.08612	3.5
97.10175	0.6
98.22644	0.9
105.07029	2.0
107.08597	1.7
107.95084	0.5
109.10151	3.6
117.06990	0.6
119.08591	2.9
121.10145	1.7
123.11698	0.7
124.01359	0.5
131.08586	1.0
133.10126	1.3
135.11714	0.9
143.08615	1.0
145.10138	1.7
147.11664	0.8
149.13242	0.6
157.10156	0.9
159.11713	1.2
161.13251	0.9
171.11806	0.6
173.13264	1.0
175.14787	0.9
177.11224	0.5
185.13303	1.4
187.14844	1.6
189.16405	0.7
213.16431	0.8
215.17946	0.7
239.18135	0.6
283.17599	0.5
307.72873	0.5
341.21191	0.5
396.58798	0.5
407.32971	0.5
467.33487	100.0
468.27667	0.7
468.33841	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	467.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64144	0.6
53.03929	2.0
55.01860	2.9
55.05508	31.4
57.03427	1.1
57.07058	2.4
59.04984	0.9
63.67048	0.7
65.03930	1.6
67.05499	40.1
68.05838	0.8
69.03416	3.1
69.07069	13.4
69.21041	2.6
69.21455	2.4
71.04968	2.6
79.05486	25.6
81.03401	0.7
81.07052	45.5
83.04951	2.8
83.08617	19.3
85.02871	0.9
85.06532	1.8
87.04457	0.7
91.04932	1.0
91.05480	14.4
93.07039	22.6
95.04959	1.8
95.08601	34.2
96.08949	1.3
97.06540	3.6
97.10162	30.2
98.10496	1.3
99.08102	1.3
105.06339	1.0
105.07029	15.7
107.04901	0.9
107.08584	24.4
109.06479	2.3
109.10150	19.1
111.08054	3.1
117.07010	5.3
119.08570	14.1
120.08916	0.7
121.06483	2.0
121.10136	14.2
123.08041	2.7
123.11711	4.9
125.09619	26.8
129.07007	1.6
131.08566	9.3
133.06523	1.0
133.10115	9.9
134.10461	0.7
135.08038	6.3
135.11678	9.7
137.09637	2.4
137.13234	2.2
139.07610	0.7
139.11130	1.3
142.07791	1.1
143.08571	3.6
143.10643	1.4
145.10114	12.4
147.08092	1.4
147.11662	8.1
149.09593	4.5
149.13254	4.5
149.14236	0.7
151.11139	1.0
153.09093	6.6
156.09309	1.2
157.10126	2.8
158.10875	1.7
159.11694	8.9
161.09579	2.4
161.13220	7.6
162.13599	0.8
163.11197	3.2
163.14836	2.5
165.07133	0.8
165.12718	1.9
169.10092	2.1
170.10893	1.1
171.10275	1.3
171.11650	3.1
173.11812	1.5
173.13223	10.6
175.11182	1.0
175.14821	6.1
177.12767	1.4
177.16348	1.3
179.14299	1.2
181.10043	1.0
183.11676	1.9
185.09711	0.7
185.13242	4.1
187.11151	1.4
187.14813	5.5
189.11221	25.3
189.12735	1.6
189.16373	2.8
191.14304	0.9
195.11800	0.8
195.13811	0.9
197.13210	2.7
199.11203	0.9
199.14757	3.5
201.16376	1.8
203.14363	1.3
205.15799	1.1
209.13286	1.8
211.14803	1.3
213.12675	4.3
213.16316	0.9
215.14287	2.3
217.16035	1.1
223.14836	1.0
225.16382	0.7
229.15802	0.7
229.19443	0.7
231.13733	2.3
231.17368	1.0
233.15311	0.9
239.18005	0.9
241.19389	1.3
243.21111	4.2
251.17775	0.8
253.15941	0.8
261.19327	0.9
261.22113	7.5
275.20288	1.0
279.23184	18.5
280.23398	1.1
297.24228	2.3
342.22562	0.7
395.29395	2.8
403.29880	2.0
413.30463	7.7
421.31110	5.0
431.31567	22.9
432.31708	2.4
449.31799	6.4
450.31494	1.0
467.31528	100.0
468.31876	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	467.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22780	1.2
53.03939	4.7
55.01869	8.0
55.05509	81.6
56.63312	0.8
57.03434	4.7
57.07064	3.8
58.06587	2.9
59.04995	2.8
65.03928	3.6
66.34156	0.9
67.05502	86.1
68.05830	2.0
68.25545	0.9
69.03432	9.3
69.07066	40.5
69.37596	2.7
69.38006	4.1
71.04999	7.6
77.03896	1.3
79.05491	57.8
80.05839	1.2
80.26098	1.1
81.07053	100.0
82.07391	2.1
83.04982	12.7
83.08616	48.0
85.06531	6.4
86.57522	0.9
91.05474	29.6
92.05823	1.1
93.07038	49.4
94.07383	1.4
95.04945	5.1
95.08604	72.9
96.08935	1.3
97.06525	8.8
97.10165	75.9
98.10519	1.4
99.08090	2.3
101.09657	1.2
105.07037	23.7
107.04948	1.3
107.08588	44.7
108.08856	1.1
109.06521	3.9
109.10153	41.2
110.10496	1.1
111.08089	7.1
111.11742	1.8
113.06000	1.4
113.09606	1.2
117.07037	8.9
119.08569	23.2
121.06515	3.7
121.10136	33.6
123.08083	3.8
123.11694	15.6
125.09625	66.8
126.09940	1.0
129.07018	3.6
130.07779	1.2
131.08566	18.2
133.06447	1.5
133.09167	1.3
133.10132	18.3
135.08060	10.8
135.11679	21.4
137.09618	4.4
137.13217	6.2
139.07495	1.2
139.11237	5.4
141.06956	1.0
143.08588	4.6
143.10677	3.4
145.10121	18.2
146.10538	1.1
147.08028	2.1
147.11685	16.5
149.02367	1.7
149.09601	11.5
149.13252	9.5
151.07556	1.3
151.11177	3.1
151.14882	2.4
153.07242	1.1
153.09102	22.6
153.12726	2.1
155.08617	1.4
155.10663	1.4
156.09280	1.2
157.10114	5.0
159.08105	1.4
159.11705	13.6
161.09618	2.6
161.13257	12.7
163.11153	6.0
163.14798	4.1
165.12759	3.6
167.10646	2.8
169.10188	2.4
171.10159	4.7
171.11699	8.0
173.09642	1.3
173.11722	2.9
173.13260	12.3
175.11177	1.7
175.14841	5.6
177.12772	4.5
177.16389	2.2
179.10728	1.1
179.14276	2.4
181.12277	1.9
183.11726	3.0
185.13272	4.3
187.14748	6.0
189.11208	54.4
189.16318	2.0
190.11568	1.7
191.14348	2.7
193.04929	1.2
194.05295	1.3
195.11838	1.7
195.13832	1.6
197.13301	3.1
199.11296	1.1
199.14807	2.2
201.12714	1.6
201.16411	2.9
203.12772	1.7
205.12173	1.1
205.15863	1.6
209.13318	1.5
209.15340	1.6
211.14799	2.0
215.17908	1.6
217.12036	0.9
217.15887	1.1
227.17979	2.2
229.19534	2.0
229.61084	1.3
233.15425	2.1
236.14940	6.4
237.07539	1.6
237.16440	1.4
239.17879	2.7
241.19450	3.2
243.21078	12.1
247.16905	1.5
257.18991	2.9
261.18945	1.6
261.22104	23.1
262.22473	1.2
273.18423	1.3
275.20044	11.9
277.21927	1.2
279.23175	84.7
280.23657	4.7
293.21097	17.6
294.21469	1.3
297.24234	23.9
298.24576	1.4
299.19940	1.2
319.22552	1.9
333.24313	1.2
365.24860	1.0
395.29358	4.4
403.31512	4.0
413.30466	15.5
418.36884	1.2
421.31055	8.4
422.31229	1.2
431.31586	51.0
432.31699	4.7
449.32684	17.9
450.32529	3.8
467.30185	28.4
468.33820	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	467.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64144	0.6
53.03929	2.0
55.01860	2.9
55.05508	31.4
57.03427	1.1
57.07058	2.4
59.04984	0.9
63.67048	0.7
65.03930	1.6
67.05499	40.1
68.05838	0.8
69.03416	3.1
69.07069	13.4
69.21041	2.6
69.21455	2.4
71.04968	2.6
79.05486	25.6
81.03401	0.7
81.07052	45.5
83.04951	2.8
83.08617	19.3
85.02871	0.9
85.06532	1.8
87.04457	0.7
91.04932	1.0
91.05480	14.4
93.07039	22.6
95.04959	1.8
95.08601	34.2
96.08949	1.3
97.06540	3.6
97.10162	30.2
98.10496	1.3
99.08102	1.3
105.06339	1.0
105.07029	15.7
107.04901	0.9
107.08584	24.4
109.06479	2.3
109.10150	19.1
111.08054	3.1
117.07010	5.3
119.08570	14.1
120.08916	0.7
121.06483	2.0
121.10136	14.2
123.08041	2.7
123.11711	4.9
125.09619	26.8
129.07007	1.6
131.08566	9.3
133.06523	1.0
133.10115	9.9
134.10461	0.7
135.08038	6.3
135.11678	9.7
137.09637	2.4
137.13234	2.2
139.07610	0.7
139.11130	1.3
142.07791	1.1
143.08571	3.6
143.10643	1.4
145.10114	12.4
147.08092	1.4
147.11662	8.1
149.09593	4.5
149.13254	4.5
149.14236	0.7
151.11139	1.0
153.09093	6.6
156.09309	1.2
157.10126	2.8
158.10875	1.7
159.11694	8.9
161.09579	2.4
161.13220	7.6
162.13599	0.8
163.11197	3.2
163.14836	2.5
165.07133	0.8
165.12718	1.9
169.10092	2.1
170.10893	1.1
171.10275	1.3
171.11650	3.1
173.11812	1.5
173.13223	10.6
175.11182	1.0
175.14821	6.1
177.12767	1.4
177.16348	1.3
179.14299	1.2
181.10043	1.0
183.11676	1.9
185.09711	0.7
185.13242	4.1
187.11151	1.4
187.14813	5.5
189.11221	25.3
189.12735	1.6
189.16373	2.8
191.14304	0.9
195.11800	0.8
195.13811	0.9
197.13210	2.7
199.11203	0.9
199.14757	3.5
201.16376	1.8
203.14363	1.3
205.15799	1.1
209.13286	1.8
211.14803	1.3
213.12675	4.3
213.16316	0.9
215.14287	2.3
217.16035	1.1
223.14836	1.0
225.16382	0.7
229.15802	0.7
229.19443	0.7
231.13733	2.3
231.17368	1.0
233.15311	0.9
239.18005	0.9
241.19389	1.3
243.21111	4.2
251.17775	0.8
253.15941	0.8
261.19327	0.9
261.22113	7.5
275.20288	1.0
279.23184	18.5
280.23398	1.1
297.24228	2.3
342.22562	0.7
395.29395	2.8
403.29880	2.0
413.30463	7.7
421.31110	5.0
431.31567	22.9
432.31708	2.4
449.31799	6.4
450.31494	1.0
467.31528	100.0
468.31876	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	468.1475
Annotation	Unknow
Peak:m/z	Relative Intensity
70.72691	0.8
80.02384	1.4
81.01920	0.9
81.03169	0.9
82.02703	1.0
86.67371	0.4
86.76371	0.3
96.04285	0.4
121.05060	0.5
122.05779	6.3
123.04443	0.5
138.02934	0.5
138.05246	0.6
139.06021	2.3
142.04738	0.6
153.01810	2.6
154.02200	1.3
162.02878	1.3
169.04707	1.0
171.05037	0.7
184.05792	5.3
226.06886	2.5
256.07941	0.7
286.09030	0.5
312.10483	2.3
328.09991	3.2
336.36017	0.4
438.13660	0.7
468.14743	100.0
469.15085	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	468.15
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
55.01864	0.3
55.05309	0.1
55.05513	1.7
56.16285	0.1
56.56575	0.2
57.03424	0.5
59.05004	1.7
61.02909	0.3
63.58744	0.1
67.05491	0.2
68.99809	0.2
69.03429	3.8
69.07047	0.2
70.06584	0.4
71.04981	0.6
71.11227	0.3
72.04538	0.2
73.02913	0.5
74.93901	0.2
79.05502	0.2
81.02962	0.3
81.03413	4.0
83.04977	4.0
85.02413	0.3
85.02904	4.9
86.09655	0.2
87.04447	0.2
90.05544	0.2
91.05447	0.3
93.07050	0.2
93.89300	0.1
95.04951	0.3
97.02886	5.2
99.04452	1.2
101.06010	0.8
103.03922	0.2
103.58414	0.2
107.04927	0.2
109.02190	0.2
109.02880	3.1
109.06494	0.2
111.04447	0.3
112.07539	0.1
113.06039	0.2
115.03930	0.3
123.04362	0.4
125.02314	0.2
127.03912	4.5
128.04262	0.2
132.04446	5.9
133.04799	0.3
136.03937	0.6
137.05998	0.2
138.05496	0.2
139.03833	0.4
143.03391	0.2
145.04961	2.4
147.04384	0.2
149.05969	0.2
151.03891	0.2
153.01820	3.0
153.02893	0.2
154.02209	0.8
154.04973	0.3
156.06584	0.2
160.03984	0.5
161.04704	0.2
165.05504	0.3
167.07024	1.2
178.04984	56.0
179.05339	1.9
187.06009	2.5
188.78746	0.2
202.10748	0.7
205.07004	0.3
206.04477	100.0
207.04828	3.2
209.08060	0.3
220.11774	0.2
227.09073	0.9
236.06952	0.2
245.10265	0.6
307.12592	0.2
328.13980	0.2
368.09546	0.2
397.46722	0.1
450.13763	0.6
468.14944	2.7
469.15030	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02797	1.0
53.03944	0.9
55.01867	1.6
57.03442	2.6
61.02935	2.0
65.03945	1.4
68.99798	1.6
69.03435	7.7
69.07209	2.3
69.07629	6.9
71.05021	1.3
79.01854	2.0
81.03416	3.6
81.07063	1.8
85.02902	19.0
87.04459	1.8
91.05488	7.2
93.07020	1.3
94.04163	1.0
95.04961	1.5
97.02888	13.7
98.23325	2.1
98.97573	1.3
99.04402	1.3
103.05467	16.0
105.07008	1.9
107.04973	3.0
109.02896	2.3
109.06548	4.6
111.04453	3.4
115.05364	1.2
119.04933	18.5
123.04445	1.4
125.02353	22.2
127.03932	2.6
131.04933	10.6
133.06520	3.6
135.08078	1.0
137.05986	30.2
137.07021	1.7
138.06303	1.0
139.03912	7.1
143.03360	1.4
145.04977	3.7
147.04404	19.2
148.05190	5.1
149.06026	2.4
151.03918	2.8
151.07533	2.3
153.01828	14.9
153.02930	1.5
154.02155	6.6
163.07527	9.7
164.08318	12.1
165.05481	51.6
165.09125	13.9
166.05835	1.9
177.05446	1.0
183.08054	2.4
201.09128	6.2
207.14224	0.9
208.48418	1.2
211.07471	5.8
212.56943	0.9
220.90416	1.0
225.09244	1.6
239.07030	7.7
243.10208	3.5
256.07382	2.8
257.07996	1.4
263.36954	1.0
271.09656	16.5
281.10760	1.0
289.10699	100.0
290.11053	5.6
294.98105	1.0
431.77618	1.0
469.24036	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	3.4
51.87290	3.1
53.03946	6.0
55.01870	9.5
55.05504	12.2
57.03432	4.4
59.04998	3.4
60.08159	9.7
67.05506	13.8
69.03428	18.6
69.07068	13.8
70.63351	4.5
70.63678	5.6
71.04994	7.8
71.07381	3.5
73.02950	3.1
79.01884	6.9
79.05492	11.3
81.03408	19.0
81.07054	51.4
83.04974	14.5
83.08632	3.7
85.02900	29.4
85.06548	4.7
86.09714	23.2
87.04470	7.5
87.42599	3.1
91.05486	13.7
93.07039	33.9
95.04964	11.4
95.08598	28.9
97.02896	22.2
97.06512	17.4
99.04470	15.0
100.11277	5.8
104.10738	47.1
105.07032	20.2
106.12817	2.8
107.04926	5.7
107.08557	19.9
109.02880	17.1
109.06545	14.9
109.10157	10.3
111.04456	7.0
111.08082	13.4
115.03912	6.5
119.08578	11.6
121.06496	38.2
121.10130	8.6
123.04453	9.4
123.08022	3.9
123.11697	6.7
124.99998	12.9
125.02359	6.1
125.05991	17.5
127.03889	26.0
127.07545	6.6
128.07088	4.5
129.05452	7.7
131.08585	4.3
133.04939	5.6
133.10126	19.1
135.04414	7.0
135.08025	10.6
137.02332	3.4
137.05981	9.9
137.09615	7.9
137.13255	7.2
138.09106	5.6
138.58752	3.2
139.03850	5.5
139.07532	11.1
139.11127	7.1
140.07127	4.7
143.03374	6.3
143.07036	8.3
143.08600	5.8
145.04996	6.2
145.10132	7.7
147.06493	3.3
147.08136	4.4
147.11722	23.9
149.13231	4.4
153.00624	6.5
153.01830	100.0
153.02940	7.2
154.02164	47.8
155.02348	4.3
157.08655	7.1
157.10155	9.6
157.12245	13.4
159.06558	5.3
161.05960	5.9
161.13260	7.3
163.03928	3.6
165.09128	4.5
165.12750	10.1
168.06535	3.4
169.12253	14.8
171.11662	8.4
173.55965	2.9
175.11189	16.0
181.04906	4.0
182.15485	4.2
184.07318	49.5
184.08858	4.3
187.06018	7.2
189.12711	11.6
193.12306	21.2
199.11189	13.0
205.07144	6.0
207.13821	9.7
210.14909	7.1
211.13280	22.6
217.12227	42.3
225.09357	3.8
225.14728	3.6
229.14355	10.3
230.05193	3.3
235.13263	51.8
244.20183	4.1
253.14357	68.8
254.14682	4.6
271.09647	6.6
271.15430	9.3
289.16565	7.0
303.04977	4.8
304.05405	16.5
305.05624	18.0
306.05792	22.9
379.17496	6.3
397.18546	11.4
432.24387	3.4
457.00879	3.1
468.15439	4.0
468.23029	9.2
469.33710	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	468.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22013	1.5
53.03952	1.8
55.71788	1.7
67.05514	1.6
69.07055	3.4
70.06598	1.4
70.63550	2.5
70.63892	3.6
78.04710	2.0
79.05494	7.9
81.07063	4.6
90.07831	1.4
90.28300	1.5
91.05508	3.5
93.07031	6.3
95.04966	3.0
95.08622	4.7
105.07023	11.2
107.04981	5.0
107.08598	7.1
107.29500	1.6
109.10165	5.0
117.06992	1.8
119.08583	3.2
121.10149	4.5
123.04409	3.0
124.05234	2.9
131.08580	2.3
133.06491	6.8
133.10149	3.1
135.08046	2.8
135.11649	2.5
137.05977	6.8
139.03960	2.0
139.07478	3.7
143.03281	1.6
145.10095	2.8
147.11688	1.8
150.06822	2.2
151.03926	2.1
153.01845	5.8
154.02184	2.2
159.11707	1.7
165.09135	6.2
167.07031	100.0
168.07376	4.7
171.11664	2.5
173.13274	2.7
175.14806	2.3
189.16422	3.0
193.08607	58.0
193.10378	3.4
194.09119	3.0
195.10103	2.7
205.16104	1.6
211.09644	18.8
421.94928	1.6
468.31915	2.3
469.20255	8.3
469.29080	1.9
478.96262	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
59.93316	1.2
68.63137	1.3
70.47897	3.0
91.05481	1.5
102.40469	1.2
107.04942	2.2
123.04402	2.9
125.55220	1.2
133.75447	1.3
151.03961	1.6
153.01808	3.1
154.02078	1.6
167.07036	100.0
168.07303	2.9
169.26324	1.2
193.08624	4.9
195.10161	2.7
211.09680	8.4
319.36649	1.3
323.93201	1.2
339.33783	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.0
66.21981	1.1
67.05494	2.1
69.03386	1.1
69.07059	1.9
69.27570	8.5
74.79292	1.4
78.04728	1.3
79.05475	6.2
81.03442	1.3
81.07060	3.8
91.05476	2.4
93.07050	3.1
95.04993	1.1
95.08582	2.5
97.56738	1.0
103.05512	1.0
105.07027	10.0
107.04952	5.2
107.08596	3.3
109.06524	1.4
109.10168	2.6
117.07078	1.2
119.08595	3.6
121.06492	1.9
121.10140	1.7
123.04415	4.7
124.05206	2.8
131.08562	2.4
133.06499	6.8
133.10135	2.0
133.71812	0.9
135.08093	1.8
135.11708	1.6
136.79764	1.1
137.05965	2.6
139.02194	1.0
139.07571	6.4
143.08498	1.6
145.10162	2.8
146.40067	0.9
147.11658	1.8
150.06755	2.5
151.07509	6.4
152.04616	1.4
152.07896	2.2
153.01805	1.4
157.10071	1.6
159.11685	2.0
165.09102	4.1
167.07028	100.0
168.07385	3.1
171.11636	1.7
173.13243	1.6
174.13580	1.1
175.11133	1.7
177.05521	1.6
181.55724	1.1
183.11659	1.2
185.13243	1.9
193.08588	49.8
194.09200	3.7
211.09601	16.8
211.11330	1.6
212.10187	1.9
274.98743	1.0
350.80618	1.4
407.44116	1.0
450.31000	2.1
468.31454	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	9.4
55.05518	20.2
55.18063	7.1
57.03415	7.9
58.34034	6.3
59.02853	6.8
59.05034	6.3
60.40097	6.3
61.02937	8.4
67.05508	18.9
69.03434	34.3
69.07072	35.7
69.30999	10.9
69.31341	56.8
71.05014	35.1
79.05511	26.8
79.96404	6.1
81.07072	41.4
83.04984	16.9
83.08617	11.2
85.02922	42.7
86.09699	18.1
87.04465	16.9
91.05485	28.4
93.07046	34.8
95.04979	11.9
95.08605	43.1
97.02898	26.6
97.06546	19.3
99.08131	10.7
103.05476	33.3
104.05775	11.3
105.07030	34.6
107.04951	8.0
107.08607	27.9
109.02872	11.0
109.10183	31.2
110.09679	10.5
111.08116	15.0
113.06010	13.0
119.04946	14.0
119.08629	20.3
121.06516	8.7
121.10148	34.8
123.04467	18.2
123.11731	12.4
125.02386	8.5
125.09609	7.1
127.03934	8.2
127.07612	7.0
127.11204	25.6
129.05478	9.5
131.04951	28.1
131.08556	17.1
132.05269	11.3
133.10133	20.1
134.98839	6.7
135.11745	9.2
137.05998	16.2
137.09615	20.3
138.09126	44.7
139.11197	24.8
140.07076	12.6
145.10115	10.2
147.04417	42.9
147.11731	6.7
148.04779	12.8
149.06007	23.7
149.09596	11.9
149.13251	17.1
150.06406	7.9
153.01837	93.9
153.02946	12.3
153.23303	7.2
154.02164	47.1
155.10677	14.6
157.12225	20.0
161.06004	15.0
161.13161	7.2
163.07498	8.4
164.08359	15.4
165.05536	9.1
165.08727	16.8
165.12764	8.0
166.05894	10.5
166.08629	100.0
167.14345	25.8
167.97198	7.9
175.07539	44.8
176.07889	31.5
177.05608	8.5
179.07074	7.5
184.07343	34.8
184.09741	8.0
187.07491	9.7
188.55598	6.8
199.14838	10.4
203.07063	7.4
210.14964	10.3
217.15865	15.0
223.17027	9.2
227.16385	11.1
228.07912	19.8
229.08177	18.7
233.16336	7.4
235.16945	22.9
253.18004	34.8
271.09753	16.6
271.19098	39.6
304.05389	12.0
305.05627	8.7
306.05838	10.1
312.13364	7.8
313.13708	35.4
377.34653	7.2
422.31015	7.8
468.15173	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	468.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36166	5.4
52.81207	4.4
55.05508	7.9
57.03419	7.9
59.04998	7.5
61.02919	11.7
64.16943	4.9
67.05492	13.5
69.03439	25.6
69.07057	15.0
69.32072	34.4
71.04996	16.4
73.02930	11.0
79.05489	16.3
81.03429	13.2
81.07051	44.2
83.04962	16.4
83.08622	9.3
85.02908	37.5
86.09684	11.5
87.04439	9.7
91.05480	20.7
93.07039	39.3
95.04956	21.3
95.08597	48.0
97.02890	20.0
97.06512	8.6
98.22572	10.1
99.04491	7.2
100.11243	10.2
103.05454	12.8
105.05503	10.2
105.07043	21.2
106.38504	5.3
107.04962	7.4
107.08604	21.3
109.02883	12.8
109.06509	6.3
109.10165	24.0
110.09697	7.8
111.04459	8.5
111.11697	6.2
113.06013	8.4
115.03954	12.7
115.07567	5.9
119.04957	7.8
119.08565	12.0
121.06528	7.1
121.10142	23.6
123.04436	18.2
123.08076	8.2
123.11697	6.9
124.99973	6.7
125.07638	4.9
125.09635	8.4
125.49212	5.5
127.03900	21.7
127.11197	28.8
129.05476	8.7
131.04924	23.1
131.08499	6.0
132.05247	7.3
133.04951	5.7
133.06544	6.6
133.10126	11.6
137.02321	13.0
137.06001	13.2
137.09630	13.0
138.09123	45.1
139.11172	15.9
140.07066	18.1
143.03448	6.9
145.04944	13.1
145.10069	10.1
147.04439	33.1
147.11743	17.6
148.04773	10.8
149.05952	17.5
149.09589	11.0
149.13239	11.6
151.03983	5.8
153.01828	85.6
154.02174	41.4
155.10635	7.7
157.08646	5.1
157.10146	6.5
157.12239	30.0
161.05986	19.5
163.07594	8.6
164.08282	16.3
165.08723	15.2
165.69785	5.5
166.08623	100.0
167.14296	24.4
175.07559	38.7
176.07872	28.4
184.07338	28.7
184.09755	9.0
185.13351	5.9
188.07835	6.1
198.53941	5.6
210.14873	11.5
217.12274	5.9
217.15845	8.8
226.14456	6.7
228.07780	7.2
229.08138	23.4
235.07536	6.2
235.13220	8.9
235.16908	17.8
253.08534	9.4
253.14296	10.5
253.18030	26.7
271.09680	30.3
271.12344	6.0
271.15433	6.5
271.19019	30.4
289.20010	8.0
303.05017	7.7
304.05179	25.8
305.05438	26.6
306.05814	30.5
312.13385	7.7
313.13922	33.5
468.15695	18.7
469.33353	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	468.332
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99486	10.2
53.55118	9.5
55.01862	15.3
55.05508	42.0
58.57869	10.8
67.05509	55.1
69.03443	13.9
69.07059	47.6
69.27869	17.3
69.28276	61.7
79.05480	55.2
81.03423	17.9
81.07066	84.6
82.07404	11.4
83.04966	18.8
83.08601	12.1
85.02904	18.8
87.04492	8.9
88.54188	9.5
88.87372	9.1
91.05485	41.0
93.07051	78.7
95.04953	17.7
95.08604	100.0
97.06528	27.8
97.10175	14.1
101.02357	23.1
103.05460	10.4
105.07019	61.7
107.08596	74.9
109.10160	63.4
110.97641	9.5
111.04456	24.6
111.08068	34.8
115.98891	9.1
119.08573	74.2
121.06490	11.7
121.10142	52.0
123.08096	11.8
123.11681	26.2
131.08597	25.4
133.10150	65.6
135.08052	9.8
135.11702	47.0
137.13164	10.4
139.07542	53.2
143.08505	12.0
145.10126	42.9
147.11670	41.2
149.13234	27.5
153.01845	97.3
154.02159	57.0
157.08589	50.8
157.10027	15.2
159.11668	33.9
161.13252	33.6
163.14842	21.8
169.10042	14.2
171.11690	23.3
175.14836	24.1
177.16437	14.8
183.11702	15.6
185.13377	12.2
187.14809	18.2
189.16388	38.8
191.18024	49.5
195.11737	13.7
195.13612	10.5
199.14734	17.0
201.16466	17.9
207.17409	24.4
213.16422	13.0
243.13850	12.4
273.86618	11.1
369.27811	29.5
379.26282	57.6
382.30905	24.5
387.28891	65.9
388.29544	16.1
397.27316	71.6
415.28421	96.8
416.29062	12.4
433.29364	41.0
468.26343	37.4
468.34320	72.2
469.28177	18.2
469.34177	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	469.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11187	1.0
51.02374	1.5
51.30339	0.9
52.20448	1.1
53.03932	2.1
55.01864	1.5
58.53674	1.0
69.03428	4.8
69.03891	10.9
79.01846	4.7
79.05473	2.2
81.03415	7.3
85.02893	5.1
91.05486	2.1
95.04964	5.0
97.02877	4.8
99.04424	1.4
103.03938	1.9
103.75806	0.9
106.96472	1.2
107.01277	1.6
107.04959	1.6
109.02831	5.4
115.05407	1.1
117.06974	2.2
121.06547	1.1
123.04414	7.0
125.02374	3.5
127.03902	4.6
131.04904	2.3
135.04381	1.1
135.07993	1.7
137.02338	8.6
137.05980	12.4
139.03860	3.0
143.03407	5.7
145.06462	1.7
147.04416	2.8
149.05989	1.4
151.03850	2.4
151.07547	3.5
151.80560	1.1
153.01819	100.0
153.02884	4.4
153.07132	1.1
154.02112	3.1
155.07014	1.9
161.06038	1.7
163.03914	1.6
163.07553	4.3
165.05505	1.4
167.03416	2.3
167.07103	1.5
171.02892	8.5
174.06831	1.2
175.07520	1.5
177.05447	1.6
181.04924	2.6
181.06497	2.9
183.06514	5.7
183.07942	1.2
189.09171	1.6
191.03210	1.3
195.04739	1.1
201.09148	1.3
213.03929	2.0
217.08598	4.1
227.06960	1.0
245.08081	9.5
255.05034	2.5
263.09082	2.2
273.10986	2.8
297.05994	5.0
301.10919	1.1
312.68973	1.0
315.07056	2.4
319.08044	1.9
355.06332	2.4
428.91266	1.0
433.12900	1.5
451.19376	2.7
469.12994	16.8
469.20166	8.9
470.13306	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1337
Annotation	Glochidionolactone F
Peak:m/z	Relative Intensity
50.11187	1.0
51.02374	1.5
51.30339	0.9
52.20448	1.1
53.03932	2.1
55.01864	1.5
58.53674	1.0
69.03428	4.8
69.03891	10.9
79.01846	4.7
79.05473	2.2
81.03415	7.3
85.02893	5.1
91.05486	2.1
95.04964	5.0
97.02877	4.8
99.04424	1.4
103.03938	1.9
103.75806	0.9
106.96472	1.2
107.01277	1.6
107.04959	1.6
109.02831	5.4
115.05407	1.1
117.06974	2.2
121.06547	1.1
123.04414	7.0
125.02374	3.5
127.03902	4.6
131.04904	2.3
135.04381	1.1
135.07993	1.7
137.02338	8.6
137.05980	12.4
139.03860	3.0
143.03407	5.7
145.06462	1.7
147.04416	2.8
149.05989	1.4
151.03850	2.4
151.07547	3.5
151.80560	1.1
153.01819	100.0
153.02884	4.4
153.07132	1.1
154.02112	3.1
155.07014	1.9
161.06038	1.7
163.03914	1.6
163.07553	4.3
165.05505	1.4
167.03416	2.3
167.07103	1.5
171.02892	8.5
174.06831	1.2
175.07520	1.5
177.05447	1.6
181.04924	2.6
181.06497	2.9
183.06514	5.7
183.07942	1.2
189.09171	1.6
191.03210	1.3
195.04739	1.1
201.09148	1.3
213.03929	2.0
217.08598	4.1
227.06960	1.0
245.08081	9.5
255.05034	2.5
263.09082	2.2
273.10986	2.8
297.05994	5.0
301.10919	1.1
312.68973	1.0
315.07056	2.4
319.08044	1.9
355.06332	2.4
428.91266	1.0
433.12900	1.5
451.19376	2.7
469.12994	16.8
469.20166	8.9
470.13306	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1337
Annotation	Catechin-4-ol 3-O-beta-D-glycopyranoside
Peak:m/z	Relative Intensity
53.00293	0.6
55.01870	0.7
56.30383	0.5
61.02911	0.6
65.03928	1.2
65.28370	0.5
68.99787	0.7
69.03419	2.0
69.48970	2.1
69.49385	1.2
78.17651	0.6
79.05511	0.6
81.03414	0.7
85.02898	6.1
93.03394	0.8
95.04956	1.2
97.02880	2.3
97.71424	0.5
100.53089	0.5
101.59173	0.5
104.35398	0.5
107.04984	0.9
109.02888	0.8
111.04436	1.5
116.07098	0.5
121.02911	0.6
123.04421	5.2
127.03876	2.8
128.17378	0.5
133.02815	1.9
135.04430	2.7
137.05925	0.6
139.03891	100.0
140.04227	2.6
145.04906	1.1
151.03874	7.6
153.01836	2.7
153.05429	1.2
154.02083	1.0
159.04431	0.6
163.03888	10.2
169.04961	3.0
175.03752	0.7
177.05446	1.2
179.07030	0.6
181.04933	5.9
205.04930	1.7
206.11691	0.5
215.70084	0.5
247.05997	0.6
261.03897	0.6
289.07022	6.2
299.05969	0.5
301.06979	1.2
307.08026	3.7
365.54669	0.6
370.05402	0.6
373.32404	0.5
469.13593	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	469.1337
Annotation	Glochidionolactone D
Peak:m/z	Relative Intensity
55.01855	1.5
55.05510	1.0
65.03912	1.1
69.03426	2.7
69.04982	9.2
70.06589	1.0
70.15271	0.8
73.02863	1.3
73.73927	0.8
79.01854	4.1
81.03410	4.8
85.02901	7.2
91.05482	2.3
95.04983	1.3
95.69540	0.9
97.02887	6.4
99.04489	1.0
103.03947	3.1
103.05421	1.4
105.07027	3.1
107.04975	1.5
109.02884	3.3
115.05476	1.5
119.04921	2.1
123.04421	8.9
125.02334	5.1
127.03954	5.2
128.06183	1.2
129.07027	2.9
131.04912	2.0
132.04443	1.7
133.06477	2.2
135.04413	1.7
136.06206	1.3
137.02339	2.7
137.05968	10.3
139.03897	3.0
143.03380	5.8
143.04942	1.5
143.08574	1.0
145.04980	1.7
145.06502	1.1
147.04390	6.2
149.05997	3.7
151.03885	1.4
151.07497	4.3
153.01814	100.0
153.02843	4.7
154.02148	4.4
157.06476	3.2
161.05948	5.1
163.03947	3.0
163.07597	1.3
165.05466	14.0
167.03363	1.4
167.07042	3.4
171.02925	6.3
173.05948	2.2
175.07532	5.2
177.05487	1.2
178.04976	10.1
179.03610	1.6
179.05331	7.5
179.07033	6.9
181.05022	1.1
181.06485	1.8
185.05940	1.8
187.07559	1.1
189.05479	2.6
189.09047	1.0
191.06985	1.6
193.05013	1.3
195.02922	1.6
195.06664	1.3
199.07584	2.3
201.05475	1.6
203.07050	7.4
203.56618	0.9
206.04468	16.1
207.04813	15.4
207.06595	0.9
213.03920	1.1
217.08592	3.5
221.08148	3.4
227.06998	2.6
233.08089	2.4
245.08041	11.1
255.04947	3.9
263.09137	9.4
268.67236	0.9
281.10172	1.1
297.06079	1.9
299.09381	1.2
313.07382	1.3
315.07123	3.0
317.08514	3.8
403.15173	1.8
452.18243	3.3
469.17496	12.4
470.19342	4.9
470.36520	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1341
Annotation	Catechin-4-ol 3-O-beta-D-glycopyranoside
Peak:m/z	Relative Intensity
53.03926	0.5
53.57463	0.3
55.01868	1.2
57.03431	0.7
59.84601	0.3
61.02916	0.8
65.03936	1.0
67.05500	0.3
68.99791	1.1
69.03428	2.6
69.61582	0.8
69.61991	0.7
69.84800	0.3
73.02894	0.3
81.03407	0.9
83.04967	0.7
84.08155	0.4
85.02896	5.1
87.04478	0.3
90.36914	0.3
93.03394	1.9
95.04958	0.4
97.02902	2.3
98.11196	0.3
98.22632	0.4
107.04955	0.5
109.02866	1.1
111.04440	7.3
111.05176	0.6
115.74892	0.3
122.71437	0.3
123.04429	3.5
127.03911	1.7
129.05545	0.3
131.04848	0.4
135.04404	4.9
136.04707	0.4
137.02342	6.7
137.03346	0.4
139.03891	100.0
140.04199	2.4
145.04968	0.9
147.04303	0.7
149.05907	0.7
151.03897	7.4
151.05049	0.6
152.04175	0.4
153.01892	1.4
154.02130	0.4
155.02280	0.4
155.03401	1.4
159.04330	0.4
163.03896	5.5
173.06006	0.4
175.03894	0.7
175.11958	0.3
177.05498	1.0
181.04933	4.1
199.03204	0.3
201.05528	0.4
205.04991	3.2
217.04878	0.7
219.01736	0.3
235.06082	1.2
247.06055	1.4
261.07605	2.0
265.07166	1.4
283.08109	2.0
289.07031	13.2
290.07330	0.8
307.08081	4.1
307.12811	0.5
313.06946	0.8
331.08047	0.4
469.14493	2.9
470.86130	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.15
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49823	0.5
55.01857	0.7
55.05471	0.7
67.05482	0.9
69.03404	0.8
69.11812	3.7
69.12231	1.7
76.29963	0.7
79.05455	2.0
81.07053	3.5
82.49848	0.7
84.64505	0.6
88.00235	0.6
91.05451	2.0
93.06533	0.5
93.07033	5.7
93.83314	0.6
95.08530	0.6
100.11196	0.7
103.81622	0.6
105.07025	2.9
106.25973	0.6
107.04931	0.9
107.08588	3.4
109.06456	2.0
117.06980	1.0
119.08591	5.1
121.06513	0.9
121.10130	9.9
123.04389	0.9
126.98248	0.9
127.03887	1.6
127.07497	1.1
130.07768	1.0
135.07996	2.0
135.11656	1.2
137.05951	1.7
139.03825	1.2
144.99309	6.9
145.10117	13.4
153.01758	1.2
155.02274	0.7
155.03380	1.8
163.11176	39.0
164.11545	1.6
185.04179	2.0
185.09373	18.8
186.09981	0.7
187.10992	3.3
190.02190	0.6
200.07054	0.9
203.10378	0.7
209.09712	0.7
261.04028	1.8
261.09204	1.1
273.07632	1.4
289.08627	1.4
307.04694	6.3
307.09720	84.3
308.10016	3.6
314.15088	1.6
329.13998	0.6
343.12875	1.1
469.15015	100.0
470.15308	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	469.1678
Annotation	PRIM-O-GLUCOSYLCIMIFUGIN
Peak:m/z	Relative Intensity
59.75661	0.4
69.34927	2.9
69.35353	0.7
70.53561	0.5
83.01085	1.5
95.01089	2.4
96.01877	0.9
98.22561	0.7
101.04043	0.5
112.01368	1.3
113.02122	3.6
123.04378	0.6
135.04454	0.5
141.05185	0.6
153.01797	1.0
169.04662	0.7
184.05254	0.6
185.04181	5.0
201.03708	1.5
203.05112	1.1
217.04768	1.7
228.91107	0.5
232.07047	15.9
243.08255	0.8
259.07867	2.6
275.08908	2.1
288.40607	0.6
336.18140	0.5
433.06021	0.5
438.14981	1.9
439.15787	2.2
469.16803	100.0
470.17145	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	469.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	1.1
53.03941	11.2
55.01864	4.5
59.15152	1.0
61.02916	1.9
65.03924	4.2
65.40576	1.0
67.05506	5.1
70.47785	2.9
71.01349	1.7
79.05482	2.1
81.03404	2.8
81.07034	1.1
85.02895	2.2
91.05471	3.5
93.03397	1.7
95.01089	1.2
95.04959	74.6
96.05299	1.8
97.02882	2.0
98.35049	1.0
100.11224	1.6
105.04493	3.5
107.04954	2.5
108.02087	1.9
109.06513	1.3
110.03645	1.1
111.04433	2.2
112.74149	1.2
113.02129	1.7
117.00862	1.2
117.45461	1.1
119.04921	1.9
121.06464	1.9
123.04417	87.1
124.04733	1.8
125.02321	3.9
125.05966	1.8
126.02914	1.2
127.03895	1.0
127.07543	1.4
131.04929	1.7
133.02847	3.9
133.06487	1.9
135.04398	1.3
137.05942	6.8
139.03870	2.4
140.04672	23.7
147.04401	1.6
149.05960	2.1
151.03897	3.7
151.07521	2.0
153.01808	4.7
153.05440	5.5
154.02176	2.1
155.07008	48.4
156.07315	1.5
161.05945	1.3
163.03893	1.9
165.05443	7.8
166.06299	1.8
167.07043	19.8
177.05432	5.8
179.07040	2.9
180.07822	2.3
181.04935	24.2
182.05531	1.5
183.06512	100.0
184.06873	3.6
185.04266	2.7
189.05220	4.5
193.04945	3.2
195.06444	6.4
201.03714	1.4
207.06491	2.9
208.07312	7.6
209.08008	6.4
225.07535	18.9
226.00606	1.1
226.08305	6.3
227.09071	3.2
232.07011	5.5
243.08611	1.3
259.07843	1.1
321.57336	1.2
419.51096	1.0
451.32538	1.8
469.17386	43.0
469.33655	1.2
470.16690	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	469.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.2
53.03946	10.3
54.89325	0.7
55.01865	4.3
57.25360	0.7
61.02906	1.5
65.03925	4.0
65.52082	0.7
67.05501	6.3
69.41374	0.7
69.69926	3.2
71.01349	1.3
77.03934	2.1
79.01841	0.9
79.05492	2.2
81.03403	2.5
82.04207	0.9
85.02898	1.5
91.05462	3.6
93.03381	2.3
95.04960	72.6
96.05294	1.3
97.02879	1.1
97.06545	1.0
100.86095	0.8
105.03379	2.4
105.04503	5.6
105.07030	1.0
106.04185	1.1
107.04967	3.3
108.02099	3.1
109.02886	0.8
109.06530	1.7
110.03651	1.4
111.04425	1.4
119.04929	1.9
121.06452	0.8
122.03660	0.9
123.04420	88.4
124.04740	2.5
125.02364	2.3
125.05966	0.9
127.03962	1.0
127.07501	1.3
129.51186	0.8
133.02866	3.0
133.06490	2.3
135.04433	1.5
137.05956	7.8
139.03862	1.8
140.04663	27.6
141.05444	1.1
144.84880	0.8
147.04401	3.3
149.05997	2.3
151.03929	2.2
151.07495	1.4
153.01839	8.4
153.05467	7.6
154.02177	1.0
154.05865	2.2
155.07021	50.5
156.07401	1.6
161.05956	0.9
163.03877	1.7
165.05444	8.5
166.06110	1.2
167.07022	22.1
171.06458	0.9
177.05461	6.6
179.07098	3.7
180.07759	3.7
181.04932	31.6
182.05403	1.9
183.06509	100.0
184.06854	2.5
189.05241	0.9
193.04932	4.1
195.06546	6.2
196.45271	1.1
197.08029	1.0
207.06494	4.2
208.07304	8.3
209.08089	6.3
220.02237	0.7
225.07578	20.9
226.08281	6.6
227.09079	2.3
243.08667	1.0
385.03415	0.9
469.17291	8.8
472.74316	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90740	2.3
53.03941	10.8
55.01868	9.7
55.05508	30.7
57.03434	22.1
57.07054	5.4
59.64150	2.4
61.02917	46.9
65.03951	5.8
67.05155	4.5
67.05502	74.3
69.03425	35.9
69.07059	25.3
70.39449	6.9
70.39806	3.0
71.01346	3.8
71.04993	11.2
73.02917	15.5
79.05490	74.1
79.24976	2.3
81.03410	20.9
81.07049	83.7
83.04977	12.3
83.08620	13.0
84.02148	2.7
85.02898	53.5
85.06533	2.9
87.04458	3.4
91.03944	33.1
91.05475	48.5
93.07037	80.6
95.04949	12.7
95.08599	80.6
96.08960	3.1
97.02888	38.6
97.06519	11.7
97.10161	7.0
99.04437	12.8
99.08073	6.5
101.02374	10.8
103.03943	9.3
103.05470	3.4
105.07018	59.9
107.04985	4.4
107.08588	65.8
109.02876	6.8
109.06517	12.4
109.10155	43.5
111.04451	4.3
111.08102	6.7
111.11732	3.2
115.03974	3.9
117.07008	15.3
119.08569	66.4
119.09412	4.7
121.06555	6.1
121.10143	68.2
123.08027	12.8
123.11700	15.8
125.09647	8.2
127.03924	13.2
128.06195	3.8
129.05449	5.1
129.06975	9.8
131.08554	27.6
133.06512	3.2
133.10120	50.5
135.08055	12.4
135.11678	33.9
135.51637	2.6
137.09581	12.3
137.13274	6.8
139.07500	5.8
141.06947	3.0
142.07719	5.3
143.08546	14.1
144.09346	3.6
145.04936	6.0
145.10109	41.3
147.08028	8.0
147.11682	35.3
149.09637	13.0
149.13235	17.5
151.07538	39.0
151.11194	6.7
155.08572	6.3
156.09319	7.1
157.10126	17.5
159.08057	8.0
159.11661	32.7
161.09616	9.1
161.13277	21.1
163.07466	4.6
163.11188	9.1
163.14833	9.3
165.06906	3.1
165.09097	4.0
165.12758	6.5
169.10124	11.9
170.10802	2.6
171.07941	2.5
171.11650	18.3
173.09689	8.0
173.13228	26.8
175.11191	8.7
175.14818	24.8
177.09093	3.2
177.12738	7.4
177.16367	6.6
183.11720	8.0
185.09590	4.1
185.13271	15.1
187.11176	3.8
187.14807	25.3
189.12743	11.3
189.16397	20.3
191.10641	7.8
191.14304	5.5
191.17970	2.7
195.11737	7.3
195.13510	2.7
197.13206	9.0
199.11220	3.1
199.14787	12.2
201.12752	9.4
201.16383	8.4
203.10593	3.4
203.14328	5.7
203.17990	4.7
205.15904	10.8
205.19611	3.5
209.13274	4.0
211.14897	4.3
213.16438	9.4
215.14362	12.8
215.17957	20.5
217.12250	4.7
217.15907	7.4
219.13770	4.6
221.15436	6.6
225.16338	5.7
227.17931	3.9
229.16096	3.8
231.17456	6.0
233.15340	9.0
233.19135	8.4
235.16858	4.7
236.14928	6.0
237.16321	3.2
239.17912	4.2
241.19652	4.9
243.17462	2.8
245.15398	3.5
245.18947	3.0
247.17010	3.1
249.18472	3.3
253.19528	4.9
255.21088	2.9
257.18896	3.0
261.18677	3.4
267.21024	4.7
275.20053	4.3
299.19928	4.1
307.22632	43.7
309.25952	3.5
361.28912	3.0
387.30701	4.1
405.27179	5.6
405.31503	9.1
409.27258	3.6
415.24881	3.4
423.33337	17.6
425.30307	3.7
433.30972	9.1
441.33627	3.8
451.32852	29.8
469.27603	17.7
469.33954	100.0
470.33282	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	469.2949
Annotation	breynceanothanolic acid
Peak:m/z	Relative Intensity
51.02370	0.4
53.03943	1.6
55.01862	0.8
55.05507	3.4
57.03425	0.4
57.07077	1.6
59.05000	0.7
65.03941	0.7
67.05504	6.0
69.03426	2.6
69.07068	9.0
71.04991	1.0
77.03925	0.5
79.05494	16.6
80.05850	0.4
81.03419	0.3
81.07060	9.0
83.01341	1.6
83.04986	1.3
83.08616	2.0
85.06561	0.6
87.04468	0.8
89.06039	0.5
91.05477	11.8
92.05824	0.4
93.07046	29.7
94.07346	0.5
95.04965	3.0
95.08607	7.9
97.06528	2.4
97.10172	0.7
98.23360	0.5
99.04457	0.4
105.04510	0.7
105.07032	10.7
105.35995	0.3
107.04936	0.5
107.08593	22.3
108.08895	0.6
109.06512	1.9
109.10149	5.7
111.04479	0.4
111.08088	2.1
111.11722	1.1
115.05485	0.4
117.07008	2.0
119.04950	0.6
119.06117	0.3
119.08579	9.0
121.06522	2.6
121.10149	8.6
122.10448	0.3
123.04398	0.5
123.08089	1.6
123.11722	1.8
125.05978	1.0
125.09665	1.1
128.06224	0.8
129.06996	1.2
130.07813	0.4
131.08568	9.4
132.08981	0.3
133.06514	1.0
133.07565	0.4
133.10127	12.8
135.08052	2.4
135.11693	15.7
136.12033	0.4
137.05978	1.0
137.09616	5.6
137.13266	1.1
139.07535	0.7
139.11176	2.5
141.07021	0.4
142.07826	0.3
143.08554	3.8
145.06490	0.5
145.10126	9.0
146.10724	0.3
147.08026	2.6
147.11681	3.3
149.05940	0.7
149.09608	3.1
149.13289	1.1
150.10419	0.3
151.07520	0.8
151.11195	2.0
153.09120	0.7
155.08574	0.7
156.09337	1.3
157.10127	2.8
158.10884	0.7
159.08101	1.6
159.11711	3.2
160.08841	0.3
161.05957	0.6
161.09628	2.3
161.13258	2.1
162.10446	0.3
163.07571	1.1
163.11194	3.2
163.14825	1.0
165.09096	1.7
165.12756	0.6
167.10677	2.9
169.10112	1.3
170.10860	0.6
171.08058	0.3
171.11673	2.9
172.08797	0.5
172.12621	0.3
173.09674	1.8
173.13249	5.0
175.07533	2.0
175.11240	1.9
175.14818	2.7
177.09123	2.3
177.12706	0.7
177.16362	0.8
179.10680	1.2
180.09120	0.3
181.10159	0.6
181.12241	0.7
183.10271	0.3
183.11740	1.2
184.12411	0.3
185.09602	1.1
185.13274	1.8
186.10341	0.6
187.07539	0.4
187.11247	1.1
187.14822	9.5
188.15053	0.6
189.09146	1.4
189.12787	2.2
189.16383	3.5
191.10666	3.4
191.14290	2.2
193.08604	0.7
193.12279	0.8
193.15894	1.1
195.10133	1.1
195.11731	0.7
195.13770	0.5
197.09613	0.5
197.13300	1.3
198.13928	0.4
198.80264	0.3
199.11218	1.6
199.14877	1.2
201.09251	0.3
201.12712	1.3
201.16411	0.9
202.09973	0.3
203.07060	0.7
203.10748	2.0
203.14307	1.5
203.17851	0.4
204.11368	0.3
205.08681	0.4
205.12233	1.1
205.15892	1.2
207.06540	2.3
207.10150	0.4
207.11958	0.3
207.13815	0.9
209.11580	0.5
209.13312	0.9
209.15414	1.8
211.11150	0.6
211.14810	0.8
213.09001	0.4
213.12799	0.9
215.10681	0.6
215.14325	1.3
215.18019	0.4
217.08623	0.3
217.12210	2.2
217.15840	1.0
219.10159	0.6
219.13780	1.8
219.17447	0.7
221.08073	0.8
221.13408	0.5
221.15311	1.5
222.14133	0.4
223.11189	0.5
223.14836	0.7
224.12083	0.3
225.12688	1.0
225.16412	0.5
227.10666	1.1
227.14346	1.0
229.12231	1.1
229.15894	0.5
229.19514	0.3
231.10124	1.3
231.13707	1.3
233.11707	0.8
233.15369	3.0
235.13240	6.0
235.16942	0.5
237.12793	0.4
237.14828	6.7
237.17009	0.5
239.14311	0.7
241.12257	0.3
241.15744	0.6
241.19516	1.1
243.13785	0.9
245.11732	3.8
245.15517	0.7
247.13321	0.7
247.16917	0.3
248.10551	0.5
249.11044	0.5
249.14795	3.1
251.16351	0.5
253.15851	0.4
255.13741	0.6
255.21094	0.6
257.19131	0.5
259.09827	0.7
259.13229	0.7
259.16956	0.5
261.14819	6.4
261.18018	0.4
261.18607	0.4
262.15094	0.4
263.12775	4.4
269.15405	0.7
271.13391	0.5
271.16873	0.8
273.11209	1.1
273.14886	0.6
273.18347	0.4
275.16351	0.5
277.10776	1.4
279.17560	0.5
281.15414	0.3
281.19022	0.4
283.13446	0.7
283.16907	0.6
283.20465	0.4
285.18521	0.4
287.16364	1.3
287.19519	0.4
289.18042	0.7
291.12250	4.7
292.16785	0.5
293.19016	0.7
297.15115	0.7
297.18451	1.1
297.21695	0.4
299.16501	0.6
301.17999	1.5
303.19632	1.8
305.17505	0.4
311.16412	1.0
311.20117	1.1
313.18100	0.7
315.15936	1.2
315.19452	0.6
317.13861	0.5
317.17377	3.3
321.22052	0.5
323.19806	0.3
325.17966	0.8
325.25201	0.3
327.19510	0.4
331.15244	0.4
333.16968	3.5
334.17114	0.3
335.18469	3.6
335.22928	0.4
339.19504	0.8
339.23163	0.7
341.21021	0.8
343.15436	0.4
349.21484	0.4
353.24765	0.6
355.18945	0.3
357.16727	0.3
359.18250	0.4
367.22638	6.3
369.24066	1.4
373.20630	0.4
381.24228	3.5
383.22055	0.6
383.26178	0.6
385.20111	0.9
385.24234	0.6
399.25742	0.4
401.23285	0.8
405.27853	0.6
407.29254	0.7
411.21716	1.5
413.23328	2.2
423.28867	13.4
424.29257	1.4
425.30435	2.0
427.24921	2.2
441.30014	4.9
442.30161	0.4
451.28387	1.1
469.29456	100.0
470.29828	9.4
472.48206	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.7
53.03941	1.7
55.01876	1.9
55.05513	3.0
57.07075	2.2
59.04990	1.1
65.03940	0.8
67.05500	5.9
69.03414	2.4
69.07066	10.0
71.04987	1.3
71.30933	0.5
77.03928	0.7
79.05492	16.4
80.05834	0.5
81.07051	9.0
83.01341	1.5
83.04971	1.4
83.08191	0.4
83.08603	2.2
85.06539	0.8
87.04462	0.7
89.06018	1.0
91.05477	11.7
93.07038	27.9
94.07388	0.7
95.04957	2.9
95.08026	0.6
95.08600	7.7
97.06539	2.6
97.10165	1.3
103.05495	0.6
105.04513	1.0
105.07025	11.3
107.04947	0.9
107.08588	22.2
109.06511	2.2
109.10147	5.9
111.04434	0.5
111.08079	7.1
111.11716	1.1
113.09644	0.4
115.05336	0.6
117.07012	2.5
119.04930	0.5
119.08569	9.0
121.06499	3.4
121.10136	8.9
123.04427	0.6
123.08061	1.7
123.11700	2.9
125.05977	0.5
125.09648	1.2
128.06224	0.8
128.48442	0.3
129.07008	1.8
131.08559	10.2
133.06497	1.1
133.07533	0.4
133.10121	11.3
135.08107	2.7
135.11685	15.0
136.11949	0.4
137.05974	1.2
137.09618	5.5
137.13214	1.3
139.07550	1.0
139.11147	2.7
142.07736	0.7
143.08543	3.7
144.09346	0.9
145.06493	0.8
145.10121	8.7
147.08075	2.5
147.11673	4.0
149.05939	0.5
149.09625	4.2
149.13254	1.6
150.10455	0.5
151.07536	1.0
151.11159	1.7
153.06903	0.4
153.09106	0.5
155.08525	1.1
156.09364	1.1
157.06435	0.4
157.10138	3.1
158.10895	1.0
159.08063	1.8
159.11658	3.5
160.08783	0.5
161.05975	0.5
161.09621	2.3
161.13211	1.9
163.07503	0.9
163.11200	4.2
163.14828	1.1
165.09125	1.6
165.12744	0.7
167.08554	0.6
167.10649	2.4
169.10147	1.1
171.08041	0.7
171.11673	2.7
172.12540	0.6
173.09630	1.7
173.13237	5.5
174.10330	0.5
174.13995	0.4
175.07565	2.0
175.11169	1.8
175.14786	2.6
177.09100	2.2
177.12784	0.7
179.10701	1.3
181.10060	0.8
183.11659	1.3
185.09550	1.1
185.13246	2.2
186.10367	0.6
187.07559	0.8
187.11163	1.6
187.14798	8.5
189.09109	1.4
189.12729	1.5
189.16376	3.9
191.10658	3.2
191.14294	2.5
193.12178	0.7
193.15730	0.6
195.10158	1.0
195.11732	1.0
195.13678	0.5
197.09599	0.5
197.13261	1.6
199.11197	1.2
199.14854	1.5
200.11906	0.5
200.95313	0.4
201.12750	1.2
201.16307	1.0
202.09763	0.6
203.07138	0.6
203.10687	1.8
203.14336	1.6
205.15823	0.8
207.06496	1.9
207.13840	1.0
209.13423	0.7
209.15337	1.8
211.11206	0.7
211.14803	0.5
213.12700	1.3
215.14394	0.9
215.17955	0.8
217.12270	2.2
217.15857	1.1
219.13776	2.3
221.08052	0.9
221.13461	0.5
221.15376	1.3
223.14847	0.9
225.16373	0.5
227.10585	0.9
227.14270	0.7
229.12260	1.0
229.19659	0.5
231.10141	1.5
231.13841	1.2
233.11694	0.5
233.15286	3.8
235.13210	5.3
235.16916	0.9
237.12656	0.5
237.14743	6.2
237.16652	0.5
238.15131	0.4
241.15811	0.6
241.19412	0.9
243.13774	0.5
245.11734	4.1
247.13255	0.7
249.14774	2.5
253.15935	0.5
255.13872	0.7
255.21118	0.4
259.09695	0.5
259.13388	0.7
261.14798	6.2
263.12756	4.2
269.15332	0.9
269.18924	0.6
271.16968	0.8
273.11160	1.0
275.12607	0.4
277.10742	1.2
283.17090	0.7
287.16394	1.0
289.17935	0.8
291.12262	4.5
293.18896	0.5
297.18503	0.5
299.16458	0.7
301.17950	1.5
303.19418	1.0
309.18463	0.8
311.16418	0.9
311.20062	1.1
315.15860	1.2
315.19690	0.6
317.14172	0.5
317.17358	2.1
321.22046	0.6
325.17960	0.9
333.16895	3.7
335.18481	2.3
335.23941	0.7
337.25229	0.5
339.19394	0.8
339.23093	0.9
353.24765	0.8
359.18390	0.4
367.22641	6.1
368.22787	0.4
369.24338	1.1
381.24326	2.4
383.21878	0.8
383.26089	0.7
385.19745	0.9
398.24280	0.6
407.29193	0.5
411.21634	1.9
413.23187	1.6
423.28754	11.7
423.33847	0.7
424.29288	1.1
425.30234	1.9
427.24741	1.2
433.27454	0.5
441.29953	5.2
451.28284	1.1
469.29410	100.0
469.40350	3.5
470.29709	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	469.3314
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
51.02381	1.3
52.55714	0.9
53.03947	2.8
53.90158	1.0
55.01871	1.3
55.05505	13.1
57.03416	1.0
57.07074	5.4
59.53260	1.0
62.02982	1.0
65.03932	2.2
65.68824	1.1
67.05501	21.6
69.03445	3.0
69.07067	25.5
69.31319	5.7
69.31738	2.2
71.05006	1.9
71.08650	1.3
75.33949	1.0
79.01853	1.3
79.05485	17.7
81.03416	4.5
81.07054	41.2
83.04990	1.6
83.08615	10.3
85.02911	2.0
85.06564	1.7
91.05470	23.6
93.06447	2.3
93.07043	46.7
94.07381	1.1
95.04992	3.6
95.08605	68.9
96.08937	2.0
97.02894	2.0
97.06502	2.2
97.10172	4.5
101.43787	1.2
103.05463	2.4
105.07026	45.4
107.04985	1.2
107.08590	62.6
108.08909	1.3
109.02898	1.1
109.06532	2.2
109.10152	36.0
111.08115	2.1
111.11725	1.4
115.05437	1.5
117.07008	8.1
119.08575	54.8
120.08897	1.0
121.06532	1.6
121.10140	52.1
122.10500	2.1
123.08102	2.4
123.11703	18.0
125.06071	1.1
125.09615	2.0
128.06227	1.3
129.07030	3.3
131.08563	14.9
133.06543	1.5
133.10124	33.2
135.08096	2.4
135.11687	48.4
136.12018	2.1
137.06018	1.7
137.09657	2.0
137.13240	6.5
137.80804	1.0
139.11163	1.5
141.07060	1.7
143.08546	7.9
145.06522	2.0
145.10112	17.8
147.08102	2.7
147.11679	29.5
149.05998	2.1
149.09634	2.4
149.13246	31.8
150.61557	1.0
151.07645	1.4
151.14873	1.9
153.01819	13.4
154.02159	4.5
155.02333	4.1
155.08582	3.2
157.10144	10.1
158.10710	1.0
159.08047	2.6
159.11694	16.4
161.05952	1.7
161.09659	1.2
161.13258	22.3
163.03973	1.1
163.07582	2.8
163.14815	28.9
164.15131	1.1
165.16425	1.1
169.10133	5.7
171.08006	1.7
171.11659	7.6
173.05997	1.7
173.09616	2.7
173.13257	20.5
175.07654	1.3
175.14818	18.6
177.09094	1.8
177.12828	1.5
177.16418	12.2
181.10138	1.4
183.11723	4.4
185.09624	1.5
185.13258	6.3
187.11223	3.4
187.14801	14.1
189.16376	50.1
190.16785	1.9
191.10677	1.9
191.14328	1.8
191.17958	27.3
192.18225	1.4
195.11659	1.8
197.13171	5.7
199.11247	2.0
199.14819	8.4
199.83243	1.1
201.12804	3.0
201.16406	12.4
203.14137	1.3
203.17941	26.4
204.18411	1.7
205.12267	2.5
205.15953	2.8
207.13817	2.1
207.17480	4.3
209.13243	1.9
211.14853	4.0
213.12811	2.8
213.16338	7.0
215.14368	7.6
215.17921	10.4
217.12254	1.9
217.15955	5.9
217.19539	3.8
219.13818	2.9
223.14822	1.3
225.12778	1.6
225.16446	2.7
227.14442	2.1
227.17923	7.7
229.15961	3.3
229.19511	5.9
231.13802	1.6
231.17506	1.5
233.15312	6.7
239.17879	6.0
239.56903	1.0
241.15990	2.2
241.19510	5.3
243.17526	3.7
243.21111	1.6
245.15355	1.5
247.16934	2.5
253.15990	1.2
253.19547	2.8
255.21104	2.3
257.18936	1.4
259.13513	1.2
259.16959	2.5
261.14828	5.6
261.18567	4.0
263.16385	9.1
265.19464	1.8
267.21198	3.0
269.19040	2.0
269.22580	2.1
271.24225	3.8
273.18439	6.4
275.16501	1.7
277.14380	4.5
279.15839	7.7
279.20999	2.0
281.22623	3.5
283.20480	1.5
285.18475	5.7
287.20074	2.3
289.18073	3.9
293.22696	2.1
295.20819	1.3
299.20093	2.6
301.18039	1.3
303.19687	4.6
307.19165	3.7
307.24399	2.1
309.22171	2.5
313.18201	1.2
313.21686	2.9
321.20801	3.4
327.23297	1.8
329.21280	1.9
341.21140	3.0
353.24741	1.2
355.22861	1.5
369.24158	1.3
373.23776	1.4
375.25446	1.1
377.32022	13.6
378.32437	1.3
379.33676	2.2
381.24197	1.3
385.23990	1.3
387.30630	2.6
395.25964	3.3
399.25311	1.6
405.31702	6.3
409.27454	2.6
413.26828	1.1
423.32675	29.1
424.33038	3.8
425.34311	3.7
433.31042	4.1
451.32135	31.4
452.32602	2.8
469.14804	1.9
469.33185	100.0
470.33398	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	469.3312
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03945	1.5
54.19183	1.2
55.05508	10.1
57.07080	4.2
59.04985	1.4
59.71901	1.2
62.76031	1.1
63.79377	1.2
65.03941	1.3
67.05499	19.7
69.07067	14.3
71.05018	1.6
79.05487	12.9
81.07053	32.1
81.07500	2.4
83.04990	3.8
83.08614	9.3
85.06573	1.8
91.05477	16.2
93.07042	31.7
93.07591	2.1
95.04997	2.2
95.08601	52.1
96.08960	1.3
97.06564	4.7
97.10201	3.6
105.07022	31.9
107.08588	35.0
109.06527	3.1
109.10150	42.1
109.10875	2.1
111.08053	3.7
117.07027	6.5
119.08572	53.6
121.06547	2.5
121.10134	35.7
123.08121	3.0
123.11720	9.1
124.93417	1.2
125.09668	1.8
129.07047	3.6
131.08565	20.9
133.10118	31.9
134.10524	1.8
135.08105	4.7
135.11668	18.5
137.09654	4.5
137.13318	4.2
139.11182	1.8
141.06984	1.6
141.09242	1.2
142.07819	2.4
143.08565	10.4
144.09328	2.0
145.10110	29.8
147.08061	2.4
147.11681	18.2
149.09633	6.6
149.13242	14.6
150.10042	1.5
151.07712	1.5
151.11206	2.9
153.09163	2.4
155.08560	3.1
156.09444	2.6
157.10110	14.5
158.10837	3.1
159.08008	1.4
159.11684	19.5
160.12115	1.5
161.09671	5.4
161.13261	12.3
163.07614	1.7
163.14816	10.7
165.12802	3.1
167.10703	2.3
169.10191	5.1
170.11002	1.7
171.11688	15.4
172.12376	1.4
173.09692	2.9
173.11826	2.6
173.13213	15.9
174.14015	1.9
175.11240	4.2
175.14824	23.7
177.12828	4.2
177.16370	12.2
181.10272	1.3
182.11006	2.7
183.11755	3.5
184.12497	1.5
185.13277	8.3
187.11237	2.1
187.14812	26.4
189.12817	2.8
189.16389	23.2
190.16753	1.8
191.14401	3.0
191.17921	7.1
195.11742	2.0
196.12509	1.6
197.13246	7.5
199.11320	1.6
199.14824	14.5
201.12895	1.6
201.16347	17.3
203.14429	5.1
203.17934	8.4
205.15901	7.8
207.17447	2.1
209.13335	3.4
211.14935	4.3
213.12846	1.5
213.16373	9.4
215.14293	6.8
215.18016	5.7
217.15874	10.1
217.19623	1.4
219.13879	3.0
219.17448	2.4
221.15337	2.0
223.14935	2.8
225.16487	3.9
227.18080	4.8
229.12291	1.6
229.15981	4.9
229.19597	2.6
231.17528	3.4
233.15283	6.5
235.16922	14.1
236.15114	2.3
239.18056	3.1
241.19699	3.7
243.17537	1.7
243.21024	1.5
245.15417	2.5
247.17078	3.9
249.18529	1.9
251.16431	2.6
253.19545	2.4
255.17682	1.6
257.19308	1.9
257.22513	1.4
257.36545	1.3
261.18619	2.8
261.22296	1.4
265.19675	2.0
267.21265	1.4
269.19226	1.6
271.20645	1.7
273.18561	3.8
275.20239	2.3
291.21051	1.5
297.24454	1.6
299.20184	1.9
305.22766	1.4
317.21475	1.5
331.24341	1.6
355.26575	1.7
387.30530	6.2
395.29758	2.2
405.31631	17.6
406.31973	1.7
423.32755	22.8
424.33228	2.1
425.30377	2.7
433.31461	7.3
441.33929	2.1
451.18079	1.4
451.32437	17.5
452.32809	2.9
469.33276	100.0
470.33765	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	469.3312
Annotation	Tyromycic acid D
Peak:m/z	Relative Intensity
50.18028	0.9
50.92989	0.9
53.33554	0.9
55.05500	5.6
57.07064	2.3
67.05499	7.4
69.07062	10.7
69.59471	3.2
69.59889	2.3
70.07406	1.0
71.08634	1.2
73.83072	0.9
74.86163	1.1
79.05500	7.3
81.07053	16.7
83.04960	2.0
83.08615	4.0
85.06544	1.5
87.22594	0.9
89.06026	1.6
91.05473	6.7
93.07037	14.3
95.04964	1.6
95.08607	21.9
97.06515	3.1
97.10168	2.4
99.08086	1.8
105.04504	1.1
105.07028	17.2
107.08588	20.1
109.06513	1.6
109.10155	13.1
111.08114	3.0
111.11685	1.7
113.52588	1.0
117.07017	2.6
119.08575	28.5
119.09416	1.9
121.06462	1.2
121.10141	13.7
123.08065	3.1
123.11729	3.7
125.09619	2.6
127.11194	1.5
129.07031	2.5
131.08565	17.2
133.10127	14.0
135.08087	2.3
135.11678	8.8
137.09648	2.3
137.13206	1.4
139.11234	1.2
142.07722	1.4
143.08575	8.6
145.10118	37.5
146.10506	1.0
147.11664	9.7
149.09631	2.7
149.13249	6.2
151.11151	2.1
153.12825	1.2
155.08559	2.6
157.10115	10.2
159.07959	1.1
159.11696	15.1
161.09647	2.1
161.13248	32.5
162.13550	1.9
163.11177	2.1
163.14822	28.0
165.12758	3.1
168.49808	1.2
169.10152	2.7
170.10890	2.3
171.11732	7.7
172.12480	2.7
173.09680	1.0
173.13255	10.4
175.11147	1.1
175.14812	11.3
176.15067	1.1
177.12799	1.6
177.16418	3.9
179.14287	2.0
183.11716	3.6
184.12401	1.0
185.13254	9.8
187.14813	84.1
188.15198	4.3
189.12799	1.7
189.16380	11.1
191.14275	1.4
191.17693	1.3
193.15799	2.5
195.11765	1.9
197.13321	2.9
199.14789	11.9
201.12602	1.2
201.16371	31.9
202.16818	2.0
203.17970	2.5
205.15903	4.1
209.13174	1.2
211.14798	3.5
213.16373	14.1
214.16866	1.2
215.17938	1.8
217.12331	1.0
217.15913	1.4
223.14877	1.3
225.16333	1.8
227.17873	7.3
231.17404	4.7
233.15381	1.7
233.19119	1.1
237.16373	2.4
239.17978	2.7
241.19476	4.6
243.17383	1.4
245.18967	2.0
249.18484	6.7
251.17868	2.1
253.19469	2.4
255.21043	1.1
259.20630	1.3
267.20883	1.1
313.21576	1.9
342.90402	1.0
349.25656	1.2
381.27847	35.9
382.28021	3.8
387.30389	3.6
393.31464	8.7
395.33264	9.6
405.31528	25.2
406.31924	3.1
423.32562	100.0
424.33093	9.5
451.32248	4.3
469.33240	28.3
470.33377	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.331
Annotation	Acridocarpusic acid C
Peak:m/z	Relative Intensity
52.27827	0.5
53.03944	1.1
55.01889	0.8
55.05503	6.2
57.07078	1.6
59.05001	0.9
65.03957	0.9
67.05503	10.0
69.03436	1.0
69.07065	7.4
71.04993	2.2
71.31794	0.6
77.03932	0.5
79.05489	7.5
81.07055	16.2
83.04993	2.1
83.08618	3.8
85.06563	1.2
91.05470	6.4
91.05991	0.6
93.07039	14.6
95.04974	1.9
95.08602	24.6
96.08972	0.6
97.06537	2.2
97.10194	2.2
103.05419	0.7
105.03388	0.6
105.07024	16.3
106.07353	0.7
107.05007	0.6
107.08587	18.5
109.02922	0.8
109.06538	1.8
109.10159	11.0
110.06879	0.6
111.08109	2.5
115.07614	1.4
117.07019	2.7
119.08576	19.2
119.09422	1.0
120.08951	0.7
121.06552	2.1
121.10139	16.2
121.10976	0.9
123.08104	1.9
123.11710	4.0
125.09682	1.6
129.07027	2.6
131.08560	7.6
133.10130	13.1
135.08015	3.4
135.11685	7.4
137.06030	0.7
137.09665	2.0
137.13275	2.4
139.07538	0.6
141.07008	0.7
142.07817	0.7
143.08542	4.8
145.10118	11.3
145.11208	0.7
147.08098	2.0
147.09183	0.6
147.11661	9.4
149.09645	2.2
149.13243	4.6
151.11179	1.0
153.09151	1.6
155.08586	2.3
156.09389	1.1
157.10100	7.3
158.10855	0.7
159.08115	1.9
159.11684	7.3
161.09645	2.0
161.13252	5.5
162.13664	0.7
163.11201	1.0
163.14803	5.5
165.09195	0.9
165.12845	1.5
167.10730	1.2
169.10110	2.8
171.11699	3.9
172.12453	0.6
173.09756	1.4
173.13272	6.3
175.11284	1.5
175.14816	10.5
177.12869	0.9
177.16345	2.8
179.10741	0.6
181.10164	1.1
183.11722	2.0
185.13225	3.9
187.11256	1.1
187.14836	8.0
189.09175	0.7
189.12865	1.7
189.16374	14.4
189.17970	0.9
191.10783	0.6
191.14369	1.0
191.18044	0.9
193.12285	1.0
195.11751	1.7
196.66925	0.6
197.13243	2.9
199.11252	0.9
199.14769	5.9
201.12793	1.4
201.16383	4.3
203.14278	2.7
203.18051	2.2
205.15884	4.4
207.11810	0.6
207.17503	1.3
209.13332	0.7
211.14909	2.4
213.13014	0.8
213.16406	3.3
215.14284	3.5
215.17960	2.0
217.12372	0.7
217.15886	5.9
219.13898	0.9
221.13321	0.9
221.15353	0.9
223.14993	1.1
225.12801	0.8
225.16434	1.7
227.17883	2.7
229.15923	1.0
229.19592	1.1
231.17480	1.1
233.15376	2.8
235.14864	0.7
235.16969	1.8
237.16437	1.6
239.17967	1.7
241.19623	2.0
243.17555	1.2
245.15425	0.7
247.17065	1.0
249.18675	0.8
253.19620	2.0
255.17358	0.7
255.21121	0.6
257.19122	1.2
259.20670	0.6
261.18753	0.7
265.19641	1.2
267.21036	0.8
271.20645	1.6
273.18634	0.8
279.20920	0.7
281.18951	0.6
289.17978	4.6
291.20975	0.7
297.22385	0.7
309.22403	0.7
309.25848	1.5
313.21579	0.9
315.19516	0.8
325.21478	0.9
341.24854	0.7
353.24854	0.6
355.26465	1.4
375.30667	0.9
381.27957	0.8
387.30673	1.2
405.31799	5.4
421.31204	1.1
423.32806	10.6
424.32834	0.8
425.30444	1.6
433.31061	3.7
439.32126	8.7
440.32425	1.2
451.32339	14.3
452.32681	1.8
469.33273	100.0
470.33722	9.8
470.40045	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3313
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
55.05513	7.0
57.03439	0.9
57.07075	2.3
59.05012	0.6
67.05504	13.1
68.74280	0.6
69.03429	1.0
69.07071	8.2
69.29075	4.3
71.04998	1.3
79.05490	7.6
81.07056	19.0
83.04967	3.9
83.08620	5.0
85.06570	1.2
91.05472	6.6
91.05893	0.5
93.07045	16.6
93.07603	1.1
95.04977	2.3
95.08607	23.5
95.09225	1.2
97.06541	3.2
97.10192	1.9
105.07037	17.5
106.07386	0.8
107.04949	1.0
107.08593	18.7
108.20503	0.6
109.06554	2.7
109.10146	13.1
111.08067	1.6
113.06031	0.7
117.07043	2.7
119.08586	23.6
119.09428	1.2
120.08929	1.2
120.40880	0.7
121.06552	1.3
121.10149	21.3
122.10542	0.8
123.08105	1.7
123.11703	5.7
125.09668	2.3
129.07018	1.3
131.08572	8.3
133.10133	16.7
134.98206	0.7
135.08070	2.2
135.11693	12.7
135.12645	0.9
136.12056	0.9
137.09624	1.9
137.13275	2.3
139.07617	0.9
139.11250	0.7
141.07021	0.7
142.07796	0.9
143.08531	4.6
144.09329	0.7
145.10135	14.8
145.11238	1.2
147.08090	1.1
147.11699	9.1
149.09637	2.1
149.13257	5.1
151.07611	0.8
151.11217	2.2
153.09090	1.2
155.08598	1.7
156.09381	0.9
157.10120	6.7
158.10988	0.8
159.08038	1.3
159.11710	7.8
161.09653	2.0
161.13249	8.3
163.11209	3.0
163.14836	5.2
165.09200	0.8
165.12794	1.1
167.10754	2.3
169.10187	2.2
171.11674	3.9
173.09714	1.7
173.13272	7.6
175.11214	2.2
175.14815	12.4
177.12808	2.0
177.16422	4.3
181.10059	0.9
181.12299	1.0
182.10974	1.1
183.11745	2.8
184.12431	0.8
185.13261	3.8
187.11261	1.6
187.14815	10.5
188.15228	0.8
189.12778	2.5
189.16389	18.2
191.10712	0.8
191.14375	1.9
191.17992	1.0
193.15851	0.9
195.11737	1.9
195.13861	2.5
197.13324	2.5
199.14807	5.8
200.15309	0.7
201.12863	1.5
201.16409	4.6
203.14484	1.4
203.18039	2.1
205.15868	5.1
207.17523	1.8
209.13351	1.1
211.14841	3.0
213.16446	2.2
215.14381	2.3
215.17972	2.7
217.15904	7.4
218.16116	0.7
219.13846	1.1
221.13274	0.9
221.15385	1.3
223.14841	0.8
225.16425	2.3
227.18011	3.0
229.15947	1.5
229.19467	1.3
231.17531	1.3
233.15446	2.5
235.16948	2.8
237.16467	0.9
239.18056	2.0
241.15936	0.8
241.19609	2.7
243.17520	1.4
243.21138	2.0
247.16949	1.6
249.14857	1.0
251.18002	1.1
253.19514	2.3
257.19116	1.3
261.18677	1.2
261.22241	3.2
267.21225	0.7
269.18961	1.0
271.20670	2.8
273.18661	1.4
277.21631	1.0
279.23276	8.2
297.24356	1.5
309.25940	0.7
327.23117	0.9
349.25366	0.8
355.26208	0.8
369.23990	0.9
379.29947	0.7
387.30698	1.2
399.17920	2.5
405.31705	6.8
406.32156	0.6
423.32645	20.8
424.33066	2.2
425.30173	3.1
433.31171	3.7
451.21329	1.0
451.32193	8.8
452.32306	1.1
469.22241	5.5
469.33237	100.0
470.33582	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	469.331
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03938	1.4
55.05508	6.1
57.07070	1.8
57.73909	0.5
59.04994	1.2
65.03952	0.7
67.05497	9.4
69.03436	0.7
69.07063	6.7
71.04990	4.0
76.57740	0.6
79.05495	5.4
81.07056	12.6
83.04984	4.4
83.08619	3.4
83.09086	0.6
85.06541	1.6
91.05475	4.8
93.07038	10.8
94.07372	0.6
95.04958	2.3
95.08606	27.1
96.08945	1.0
97.06527	3.2
97.10182	1.9
97.42383	0.5
99.04465	1.2
99.08090	1.4
103.05524	0.5
105.07029	16.1
106.07386	0.9
107.04936	0.8
107.08586	16.5
109.06524	2.0
109.10157	11.1
111.08115	1.4
117.07033	1.9
119.08576	23.7
120.08952	1.0
121.06552	1.6
121.10145	12.3
122.89263	0.5
123.04433	1.1
123.08062	2.5
123.11697	4.6
125.09648	2.2
128.06236	0.9
129.07018	1.7
131.08565	6.2
133.06508	1.3
133.10121	12.7
135.08049	4.0
135.11688	8.1
137.09644	2.1
137.13263	1.5
139.07556	0.7
141.07025	0.7
142.07797	1.3
143.08546	5.2
145.10124	11.9
147.08067	1.4
147.11673	8.6
148.12045	0.5
149.09630	4.3
149.13254	4.3
151.11191	2.5
153.09106	1.6
155.08557	3.0
156.09256	1.1
157.10114	7.1
158.10876	0.7
159.08076	1.6
159.11684	6.1
161.09596	3.6
161.13223	5.7
163.11172	3.3
163.14792	3.8
165.12741	1.3
167.08545	0.6
167.10687	2.0
168.09366	0.8
169.10217	2.6
171.11664	3.7
172.12540	0.7
173.09624	1.6
173.13242	7.0
175.11212	2.5
175.14812	9.9
177.12799	2.3
177.16425	2.5
179.10611	0.6
181.10170	0.8
182.10883	0.7
183.11685	3.3
185.09691	0.8
185.11530	0.5
185.13243	3.4
187.11240	1.3
187.14824	9.6
187.16518	0.7
189.12837	2.3
189.16383	16.0
191.10635	0.7
191.14308	2.4
191.18048	1.5
195.11664	1.0
196.12398	0.6
197.13220	3.2
199.14810	6.4
201.12717	1.4
201.16348	3.5
203.14369	1.8
203.17964	1.0
205.15918	3.3
207.17480	1.8
209.13344	0.9
211.14812	2.4
213.12753	0.9
213.16267	3.1
215.14371	3.5
215.17877	3.0
217.12517	0.7
217.15889	7.0
219.13742	0.6
219.17418	0.7
221.15353	2.3
223.14946	1.3
225.16379	1.2
227.14391	0.6
227.18037	2.0
229.15889	1.8
229.19637	1.0
231.13731	0.6
231.17439	1.0
233.15384	5.8
235.14886	0.7
235.16977	2.4
237.16473	0.6
239.18027	1.7
241.19559	1.5
243.17601	1.0
243.21104	0.6
245.15448	1.0
245.18967	0.6
247.17004	0.8
251.17957	0.8
253.19502	2.2
257.19125	0.9
261.18597	1.1
265.19562	1.0
267.21204	1.0
271.20523	3.8
273.18564	1.1
295.24054	0.5
299.19977	0.7
307.20572	0.5
307.24078	0.9
309.25522	1.0
317.21390	0.7
325.25452	0.8
335.27319	0.6
343.22687	1.0
353.24728	1.4
353.28534	0.8
355.26321	1.0
371.25790	3.0
381.27875	0.7
399.28711	2.5
405.31552	5.2
423.27820	1.0
423.32742	13.5
424.32800	1.9
433.31458	2.4
451.32129	10.5
452.32571	1.3
469.33188	100.0
470.33408	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	469.3309
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03943	5.1
55.01870	3.5
55.05502	20.8
57.03446	5.0
57.07059	6.1
65.03942	3.9
67.05502	31.3
69.03439	4.0
69.07069	26.0
70.59298	2.7
71.04988	8.0
71.31553	3.5
79.05490	23.6
81.07057	52.2
83.04967	5.8
83.08600	19.1
85.06546	3.2
87.08110	2.9
90.90770	2.4
91.05462	36.8
92.67650	2.7
93.07039	53.7
95.04961	7.3
95.08596	80.9
97.06525	9.6
97.10169	7.8
105.07021	71.9
107.04963	3.4
107.08586	76.2
109.06508	11.0
109.10149	42.2
111.08053	8.4
117.07016	13.2
119.08572	100.0
119.81257	3.0
121.06480	5.9
121.10137	69.0
121.10996	4.6
123.08038	6.9
123.11703	17.9
125.05998	5.7
125.09599	3.3
128.06192	3.3
129.07002	8.5
130.07773	3.3
131.08565	55.2
133.06508	2.8
133.10118	63.1
133.11131	3.2
135.08055	9.6
135.11691	32.2
136.12001	2.8
137.05963	4.4
137.09627	9.7
137.13266	4.0
139.07562	6.1
139.11104	2.9
141.06982	4.3
142.07825	6.1
143.08525	30.6
144.09308	3.4
145.10123	71.1
147.08041	7.4
147.11690	41.8
149.09610	10.5
149.13281	19.3
151.11179	8.8
153.09097	7.6
155.08548	9.8
156.07335	2.8
156.09306	8.0
157.10121	33.0
158.10793	4.5
159.08032	6.4
159.11682	47.4
160.12099	2.7
161.09596	7.6
161.13235	26.6
162.13577	3.9
163.07524	5.3
163.11148	10.6
163.14781	17.9
165.12682	5.0
169.08891	3.0
169.10034	15.5
170.10884	7.7
171.11690	29.7
173.09666	5.3
173.13243	41.0
175.11195	10.1
175.14825	38.6
177.09131	6.0
177.12697	5.2
177.16389	15.2
179.10567	3.0
179.14317	3.0
182.10895	3.7
183.08096	3.2
183.11667	18.7
185.13260	33.3
187.14803	42.4
189.12685	8.5
189.16365	27.3
191.14330	13.1
191.17958	6.4
193.12279	3.3
195.11650	8.2
195.13718	3.3
197.13245	14.6
199.11256	3.6
199.14825	50.8
201.12772	10.0
201.16368	42.7
203.14362	15.7
203.17950	24.8
205.15813	23.2
205.19531	5.4
207.17577	2.9
209.13269	8.5
211.14807	9.8
213.16460	15.2
215.14297	10.6
215.17995	7.8
217.12244	3.5
217.15828	9.1
219.13789	4.6
219.17422	5.8
221.15424	4.4
223.14841	6.9
223.16873	6.4
225.16417	9.6
227.17946	11.6
229.15889	4.2
229.19547	4.0
231.13875	4.7
231.17415	8.2
233.15350	12.3
235.16872	3.6
237.16495	3.7
239.17949	7.4
241.19489	9.4
243.17427	3.7
245.15361	11.2
247.16913	17.0
249.18512	3.7
251.17972	6.4
253.19473	12.8
259.20480	2.8
261.18533	5.7
265.19659	4.1
265.95123	3.0
267.20987	3.9
271.20428	3.7
273.18579	5.7
285.18387	5.4
287.19879	4.5
299.16739	2.6
299.20023	13.8
301.21579	4.9
305.22482	3.7
309.22046	4.8
313.21664	5.0
327.22974	4.2
353.24847	3.1
375.30539	3.0
387.30524	6.0
393.31607	6.7
405.31631	36.5
406.32108	5.0
421.31003	7.3
423.32788	40.3
424.33026	3.7
433.31390	17.4
434.31024	3.4
439.31735	5.0
451.32620	33.0
469.33780	87.9
470.33511	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	469.3311
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
50.32094	2.6
53.03954	4.9
55.01868	3.2
55.05508	16.5
55.50763	2.6
57.07075	4.5
59.05001	3.3
60.16339	2.4
63.62910	2.6
65.03941	2.6
66.14278	2.4
66.76286	2.4
67.05503	30.1
69.03442	5.3
69.07059	30.7
69.57089	16.6
71.01398	2.6
71.04993	4.0
73.17405	2.2
77.03912	2.9
79.05490	25.2
81.07056	48.4
83.04981	9.9
83.08607	13.1
85.06535	2.7
91.05468	29.4
93.07037	56.4
93.07595	4.0
95.04957	6.5
95.08606	73.5
97.06530	5.1
97.10152	3.4
103.70927	2.5
105.07021	60.8
105.07711	3.3
107.08591	69.4
109.06516	7.0
109.10153	41.5
111.08073	5.9
117.07024	13.3
119.08569	81.4
120.08958	4.1
121.06489	8.5
121.10132	70.6
121.10969	4.7
123.08087	6.6
123.11713	18.9
125.09656	6.4
129.07028	9.1
130.07811	4.2
131.08562	37.7
133.06573	3.7
133.07559	2.6
133.10117	54.7
134.10423	3.9
135.08064	11.5
135.11687	38.4
137.09613	7.1
137.13272	3.0
139.11154	4.8
141.07016	3.9
142.07765	8.1
143.08553	23.9
144.09328	3.1
145.10106	53.2
147.08051	6.1
147.11661	33.2
149.09610	9.7
149.13245	17.6
151.07515	3.5
151.11218	7.1
155.08536	6.1
156.09314	3.3
157.10143	27.9
159.08060	4.7
159.11691	38.3
161.06023	3.3
161.09659	10.1
161.13268	24.2
163.07581	5.9
163.11166	7.6
163.14804	14.0
165.12833	3.5
165.78654	2.6
167.08536	3.0
169.10115	16.3
171.11690	29.2
173.09679	6.5
173.13249	29.7
174.13582	2.8
175.11214	8.1
175.14830	24.5
177.12779	9.6
177.16382	9.3
179.14384	6.1
181.10178	7.1
183.11652	16.0
185.09671	6.8
185.13202	18.6
187.11188	5.0
187.14799	35.3
189.12732	9.1
189.16357	18.9
191.14276	6.2
191.17950	8.2
193.10152	3.9
194.10915	3.1
195.11736	4.5
195.13779	2.8
197.13228	12.6
198.13686	3.3
199.11235	5.1
199.14822	16.5
201.12796	8.4
201.16353	23.2
203.14369	8.1
203.17998	7.4
205.12288	3.7
205.15891	11.2
207.11696	2.8
207.17456	4.2
209.13269	8.5
211.14873	11.9
213.12746	7.6
213.16376	13.7
215.10693	4.0
215.14346	7.8
215.17899	5.7
217.12186	16.1
217.15901	9.1
219.13808	3.9
221.13434	5.0
221.15486	3.3
223.14827	6.0
223.16823	3.0
225.16460	8.2
227.17963	7.8
229.19539	6.6
231.17508	5.2
233.15410	6.2
235.16949	3.8
237.16298	6.5
239.17949	7.8
241.19518	10.1
243.17412	4.2
247.16963	5.7
251.17940	9.8
253.19513	9.4
255.21193	4.5
259.17023	4.6
265.19427	5.0
267.21140	7.7
269.19080	5.2
273.18375	3.6
275.20203	4.2
277.19647	3.9
279.21249	3.9
285.18695	2.8
287.20026	3.9
291.20908	4.5
297.18677	6.5
299.20093	8.2
301.18109	3.5
301.21561	5.3
309.22287	3.9
313.21359	4.1
315.19534	4.4
327.19604	3.3
327.23169	5.8
337.21622	5.0
349.25269	3.5
383.21954	6.4
387.30508	7.4
391.25836	4.1
395.29559	4.9
405.31729	37.8
406.32056	4.6
421.30377	3.2
423.27777	5.7
423.33090	37.8
433.31216	20.5
439.32007	3.4
441.33530	6.1
451.32608	49.0
452.32364	5.2
469.15216	6.3
469.28986	100.0
469.33615	68.0
470.28229	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	469.3315
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
55.01867	3.0
55.05510	11.8
57.03453	2.7
57.07075	3.3
67.05502	33.3
69.07060	22.3
69.30450	5.0
69.30852	15.3
71.05000	3.5
79.05496	19.9
81.07061	40.5
83.08628	8.6
91.05479	19.2
93.07043	35.0
95.04992	6.0
95.08607	66.1
96.08948	2.4
97.06546	3.7
105.07035	37.2
107.08601	42.4
109.06530	4.4
109.10168	20.7
111.08118	6.0
113.09681	3.4
117.07040	10.9
119.08578	86.0
120.08942	2.6
121.10152	38.8
123.08102	4.5
123.11729	9.2
125.09639	3.9
128.06233	2.8
129.07072	4.1
130.07869	2.4
131.08557	22.8
133.10138	38.4
134.10461	3.0
135.08119	5.8
135.11707	17.8
137.09666	6.9
137.13272	3.8
141.06973	2.8
142.07846	6.5
143.08568	16.8
144.09326	4.4
145.10127	44.3
147.08098	2.9
147.11671	18.8
149.09647	4.2
149.13240	13.1
155.08636	5.8
155.10689	5.3
156.09323	3.9
157.10103	20.7
158.10822	3.6
159.08122	4.7
159.11700	30.0
159.12775	2.6
160.12024	2.3
161.09680	7.8
161.13284	13.8
163.11188	5.1
163.14832	6.8
165.12810	4.0
169.10211	9.1
170.10925	4.0
170.43721	2.4
171.11685	11.7
173.09673	3.7
173.13251	31.2
175.11295	5.9
175.14841	28.2
177.09242	3.7
177.16418	5.8
181.10129	2.4
183.11740	5.8
184.12491	4.1
185.13266	12.0
187.11209	3.0
187.14815	36.4
189.12759	6.1
189.16417	25.3
191.14346	3.9
193.15938	3.1
195.11719	4.5
197.13319	9.7
199.14830	16.9
201.16338	16.3
203.14371	8.3
203.18051	4.7
205.16011	8.0
209.13286	4.6
211.14896	10.5
213.16405	17.3
215.14360	7.0
215.17972	6.0
217.15828	13.4
221.15431	4.4
223.14885	7.3
225.16370	5.6
227.17964	3.1
229.15977	6.3
229.19469	3.2
231.17595	4.4
235.16937	31.3
237.16402	3.0
239.17973	3.7
241.19588	4.4
243.17506	2.8
243.21143	3.5
247.17078	6.1
249.18663	3.8
251.18132	3.5
252.12050	2.7
253.19560	3.9
257.15430	3.2
261.22250	4.3
267.21005	3.3
273.18658	3.4
279.23355	5.1
291.21182	3.1
293.22479	3.3
295.24518	3.1
309.22147	2.9
325.53082	2.5
327.23129	3.0
342.88254	2.5
353.54437	2.8
377.32141	2.8
387.30469	23.4
405.31601	57.9
406.31955	6.9
423.32721	46.0
424.33118	6.0
433.31079	7.2
451.32312	20.6
469.33331	100.0
470.33710	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	469.3313
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03951	1.4
55.01868	2.3
55.05507	16.1
57.03432	1.1
57.07081	3.1
65.03948	1.5
65.88348	0.9
66.40305	1.1
67.05497	17.3
69.03439	2.3
69.07056	13.2
70.30930	1.2
71.05001	2.0
71.32516	1.1
73.57820	0.9
79.05485	12.1
81.06578	1.3
81.07053	24.0
81.07497	1.6
83.04978	3.9
83.08609	11.7
85.06553	2.2
91.05481	9.1
93.07037	18.3
95.04979	2.0
95.08598	28.6
95.16523	1.0
96.08932	1.2
97.06548	2.9
97.10158	12.6
99.04444	0.9
99.08105	1.3
100.12212	1.0
103.46774	1.1
105.07025	17.8
107.08587	26.4
109.06527	2.4
109.10144	12.8
111.08100	2.4
115.05403	1.0
117.07033	3.3
117.94791	0.9
119.08571	26.0
120.79522	1.0
121.06529	2.6
121.10139	24.2
121.10977	1.6
123.08096	4.1
123.11707	6.3
125.09618	10.1
128.06190	1.1
129.07030	3.3
131.08556	11.4
133.06404	1.3
133.10120	19.2
133.11023	1.5
134.98247	1.1
135.08080	4.4
135.11691	10.9
137.09651	2.3
137.13240	1.9
139.11185	2.0
142.07770	1.0
143.08556	5.1
145.10106	16.1
145.11021	1.3
147.08061	1.1
147.11679	11.7
149.09618	2.7
149.13263	5.6
150.13625	1.0
151.11214	3.0
153.09146	2.8
155.08603	2.6
156.09299	1.2
157.10124	7.1
159.04430	1.7
159.08087	1.6
159.11702	8.8
161.09641	2.6
161.13260	8.1
163.11209	2.2
163.14783	5.4
165.09123	1.4
165.12877	1.2
167.10774	1.4
169.10179	2.7
170.10957	1.0
171.10304	1.9
171.11743	6.8
172.12384	1.4
173.09680	2.2
173.13239	8.9
175.11276	2.4
175.14806	15.7
175.16164	1.3
176.15144	1.1
177.12825	1.6
177.16444	4.0
181.10114	1.3
181.27243	1.0
183.11774	4.0
185.09576	1.0
185.13225	4.7
187.14816	10.3
189.11267	8.6
189.12845	3.0
189.16371	15.7
191.17979	2.0
193.15923	1.2
195.11728	1.4
197.13307	4.7
199.14783	4.9
201.12779	1.3
201.16383	4.8
203.14352	3.4
203.18021	3.4
205.15829	5.7
209.13364	1.3
211.14885	2.7
213.16504	2.7
215.14400	4.2
215.18022	2.7
217.12256	1.3
217.15858	7.1
219.13808	2.2
221.13478	1.0
221.15437	1.8
225.16495	3.2
227.18036	4.2
228.18347	1.0
229.12276	1.0
229.15926	2.3
229.19534	2.0
231.17464	1.9
233.15315	5.7
235.16965	1.9
237.16460	1.1
239.18013	2.1
241.19623	2.5
243.17540	1.2
243.21120	1.2
245.15459	1.1
245.19209	1.2
245.22687	1.0
247.16992	2.1
251.18146	1.0
253.19510	1.9
255.17453	1.5
255.21318	1.3
257.19156	1.6
261.18469	1.4
263.19968	1.1
269.19220	1.4
271.20651	2.0
273.18567	1.8
277.21622	2.1
287.20050	1.4
309.22180	2.0
313.10739	2.8
373.95090	1.2
387.30597	2.3
397.31088	1.4
405.31583	7.4
415.32224	4.2
423.32645	24.0
424.32928	1.8
425.30768	4.2
433.17297	1.0
433.33298	5.5
436.48428	1.1
441.33902	1.9
451.32269	8.9
452.32751	1.1
469.33243	100.0
470.33408	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	469.3312
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03936	2.7
55.01870	2.2
55.05511	17.0
57.07067	6.3
59.04989	2.1
65.03944	3.0
67.05496	21.8
69.03416	5.9
69.07069	13.6
70.06576	4.7
71.04976	2.9
73.15574	1.6
79.05495	21.4
81.03397	4.3
81.07058	48.6
83.04981	23.2
83.08611	12.8
85.02914	2.6
85.06534	3.8
87.04473	1.9
91.05473	31.3
93.07043	40.4
95.04963	7.3
95.08602	59.7
96.08960	1.8
97.02859	2.3
97.06531	7.2
97.10187	3.5
99.08099	23.9
103.05456	5.9
105.07027	80.1
105.07737	4.0
107.04934	3.6
107.08591	63.8
108.08962	2.7
109.06493	5.1
109.10155	34.0
111.08069	5.8
112.07641	3.9
115.05445	4.4
117.07026	12.2
119.08574	100.0
120.08899	4.3
121.06496	4.9
121.10141	45.4
123.08067	6.7
123.11696	20.9
125.09621	3.9
127.03928	1.9
128.06197	3.1
129.07005	7.2
130.07784	3.8
131.04904	3.2
131.08565	57.8
132.08926	3.9
133.04924	1.9
133.10127	60.9
133.11137	3.6
133.20685	1.7
134.10440	2.9
135.08049	5.2
135.11688	22.3
137.05978	4.2
137.09615	4.0
139.03865	2.6
140.06999	3.0
141.07031	2.2
142.07758	6.2
143.08569	18.5
144.09286	3.8
145.10121	74.9
146.10612	1.9
147.08014	1.8
147.11678	50.4
148.12045	2.9
149.05988	2.4
149.09610	5.9
149.13237	13.7
151.03897	2.2
151.07503	3.1
151.11142	3.4
153.01811	6.2
155.08533	6.1
156.09309	3.6
157.10156	27.9
158.10901	4.1
159.08081	2.9
159.11694	44.9
160.12093	2.2
161.05983	2.4
161.09637	5.3
161.13263	23.8
163.03931	3.5
163.07588	4.0
163.11237	3.5
163.14809	10.4
165.05406	2.2
165.12851	1.8
169.10147	9.2
170.10905	3.4
171.11722	15.5
172.12469	3.0
173.11829	3.7
173.13263	47.7
174.13586	3.4
175.11224	2.6
175.14824	27.7
177.16380	15.2
179.14285	2.2
181.10086	2.1
183.11754	10.1
184.12450	4.6
184.18619	1.6
185.13246	31.0
187.14812	78.9
188.15196	2.3
189.12740	3.7
189.16373	25.6
191.14330	4.6
191.17897	2.9
193.15929	2.6
195.11693	4.3
195.13707	2.4
197.13242	8.9
199.14809	35.1
201.12735	4.1
201.16385	50.4
203.14319	15.5
203.17969	5.8
205.15871	63.0
206.16232	1.9
207.06433	2.7
207.17406	4.7
209.13196	2.7
211.14807	11.4
213.16339	14.4
215.14323	6.0
215.17989	9.4
217.15866	19.2
219.17407	16.3
223.14938	3.2
225.16368	5.1
227.17979	5.6
229.15871	5.6
231.17429	5.4
233.19031	2.0
234.70988	1.8
239.17934	4.6
241.19402	3.7
243.17404	7.3
250.42702	1.8
251.17825	2.8
253.19681	2.9
255.17249	2.1
257.19003	2.8
259.20630	2.8
265.19553	2.2
266.25107	1.8
267.21103	3.9
269.18924	2.4
279.21164	2.3
283.20465	7.0
321.25839	2.1
333.25616	3.6
351.26889	4.6
365.28076	2.8
375.30173	2.2
387.30237	4.6
393.31436	5.6
395.33273	3.9
405.31549	24.1
406.31897	3.2
407.33276	2.9
423.32632	36.4
424.32745	2.1
433.31177	4.0
439.31961	5.4
451.32208	14.3
469.24997	18.7
469.33521	17.9
470.23993	2.8
470.33179	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	469.3314
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03953	2.1
55.05511	14.8
57.07074	4.1
65.03928	2.1
67.05499	15.4
69.03423	7.0
69.07067	15.6
71.04984	2.0
79.05495	15.3
80.68336	1.5
81.03426	3.8
81.07053	100.0
82.07384	4.7
83.04972	4.9
83.08612	5.1
85.02898	6.9
85.06538	2.1
91.05473	22.6
93.07047	46.0
94.31351	1.7
95.04961	6.5
95.08605	55.5
97.06539	4.4
97.10175	3.3
102.00682	1.7
105.07027	48.4
107.08591	45.8
109.06511	7.1
109.10162	30.5
111.04399	2.9
111.08074	3.7
117.07007	8.2
119.08576	70.6
120.08811	1.7
121.06526	2.9
121.10139	36.3
123.08057	7.1
123.11699	8.7
124.04933	1.7
125.09622	3.5
127.03931	2.5
128.06187	3.0
129.07013	6.7
130.07802	2.3
131.08553	26.5
133.06525	2.1
133.10127	51.3
134.10460	2.5
135.08040	6.4
135.11688	18.2
137.09595	3.8
137.13246	31.5
139.07405	2.2
142.07750	4.0
143.08554	19.1
144.09279	2.7
145.04990	2.4
145.10117	41.1
147.08032	5.2
147.11696	30.2
149.09549	9.9
149.13242	12.3
151.11142	3.1
153.01836	43.7
153.02995	3.2
153.09108	4.7
154.02174	1.9
155.08565	6.0
156.09322	5.0
157.10114	24.9
158.10869	2.2
159.08055	2.3
159.11685	25.5
161.09579	6.5
161.13272	19.5
163.14822	16.5
167.08508	2.6
167.10687	4.9
169.10135	10.2
170.10849	7.0
171.02948	2.7
171.11682	15.6
172.08771	1.9
172.12430	2.5
173.13243	24.1
175.11197	6.1
175.14816	25.8
177.12772	4.3
177.16399	18.5
179.10722	2.9
181.10107	2.4
182.10847	2.6
183.11658	5.8
184.12550	4.3
185.13234	16.6
187.11208	2.4
187.14827	48.9
188.15274	2.0
189.12746	5.5
189.16380	50.3
191.14267	8.6
191.17900	4.0
193.15871	2.3
197.13261	11.8
198.13741	2.5
199.11078	2.2
199.14793	26.2
201.12718	3.2
201.16359	33.1
203.14310	7.3
203.17953	44.7
204.18381	2.2
205.15860	7.1
207.17287	1.8
209.13156	4.2
211.14828	6.3
213.16389	13.2
215.14360	10.6
215.17975	12.3
217.15862	20.0
217.19431	3.3
219.17488	2.3
221.15390	5.0
225.16383	4.1
227.14075	2.6
227.17920	5.0
229.15871	6.5
229.19484	3.8
231.17447	4.6
233.15291	6.9
235.16904	19.3
237.16228	2.6
239.17960	6.1
241.19521	6.9
243.17389	2.2
243.21098	4.3
245.15286	4.9
247.16939	10.0
251.17889	2.3
253.19565	2.3
255.20883	2.4
257.22678	6.7
259.17059	2.2
259.20361	3.2
261.18616	2.5
265.19348	2.2
267.21048	3.9
273.18536	2.0
285.18735	2.2
287.19952	2.4
289.30038	1.7
299.18219	2.0
303.23135	2.5
315.07022	7.3
367.26382	2.4
387.30548	8.5
393.31537	3.0
405.26822	2.7
405.31619	26.5
406.31717	3.2
421.31131	4.7
423.32596	28.9
424.32785	2.3
433.30945	11.1
439.31998	3.2
451.32117	27.5
452.32330	3.5
469.22522	2.5
469.33231	49.5
470.33347	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	469.3313
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03952	7.4
55.01864	5.6
55.05509	25.9
55.10839	2.9
57.03447	6.2
57.07067	4.4
60.71056	2.9
67.05506	29.5
69.03434	13.3
69.07066	25.1
71.31882	5.2
72.30281	2.9
73.02948	3.6
79.05497	32.5
81.03415	11.9
81.07055	62.3
81.07511	5.1
81.17418	3.0
82.07417	3.9
83.04986	9.1
83.08617	15.3
83.18321	3.2
85.02920	7.4
85.06544	9.2
91.05480	38.9
93.07046	80.3
93.07613	5.6
95.04977	12.1
95.08607	78.4
96.08981	3.4
97.02898	6.2
97.06535	10.8
97.10187	9.2
99.04491	4.0
100.11275	5.2
103.05466	4.2
105.07024	73.2
105.73788	3.2
107.08595	76.5
109.02915	4.1
109.06522	10.4
109.10152	43.6
111.04442	5.2
111.08109	9.2
115.05428	4.6
117.07022	11.0
119.04961	3.6
119.08587	100.0
121.06509	9.8
121.10139	58.0
122.10381	3.3
123.04501	5.7
123.08054	14.0
123.11694	14.9
125.09624	6.6
128.06219	4.4
129.07040	8.7
130.07773	3.9
131.08557	50.5
133.06450	3.5
133.10126	78.9
135.08101	8.3
135.11679	27.3
137.06023	5.6
137.09685	8.0
137.13249	7.3
139.11168	4.9
142.07785	8.0
143.08594	20.9
145.10132	58.4
147.08049	8.3
147.11690	45.0
149.05951	3.9
149.09601	19.3
149.13216	19.8
151.07549	3.7
151.11229	7.1
153.01799	20.3
153.09154	5.3
154.02193	13.1
155.02357	7.0
155.08589	6.4
156.09331	6.7
157.10130	32.0
158.10875	5.7
159.11674	43.1
161.09619	9.4
161.13258	34.3
163.03871	4.4
163.07584	5.7
163.11192	7.0
163.14804	21.9
165.09163	7.2
165.12796	5.7
167.10622	15.7
169.10179	7.6
170.10901	11.7
170.15404	11.9
171.11685	26.9
172.12526	5.5
173.09674	6.9
173.13242	32.6
174.13766	3.1
175.11099	8.2
175.14815	36.7
177.16393	33.7
182.10905	4.3
183.11673	10.3
184.12370	5.0
185.13264	26.0
187.11284	3.6
187.14822	85.2
188.15062	3.5
189.12698	3.5
189.16383	73.7
190.16785	4.5
191.14348	17.7
191.17960	7.8
197.13252	22.4
199.14803	44.4
201.12660	5.5
201.16373	35.9
203.14375	9.8
203.17947	55.6
205.15894	9.1
205.19525	5.1
207.13918	3.0
210.14850	6.1
211.14835	8.0
213.16382	25.4
215.14326	26.3
215.17776	15.9
217.15884	39.5
219.17520	6.0
221.15398	5.9
225.16396	3.9
227.14407	4.9
227.17963	4.3
229.15895	4.1
231.13747	6.2
231.17471	12.5
233.15356	18.6
235.16907	22.4
239.17905	6.0
241.19528	5.2
247.17082	6.8
249.18430	3.7
255.13733	3.2
257.22665	13.8
259.16864	7.5
259.20569	6.8
261.18359	6.7
265.19492	3.3
267.21149	5.1
303.23218	5.0
383.09683	3.1
387.30542	9.9
405.31421	37.6
407.32562	3.2
421.31104	8.2
423.32788	27.8
424.32687	3.7
433.31027	12.6
439.32245	12.4
451.32303	24.9
469.24164	17.2
469.33469	67.9
470.33447	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	469.3314
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
54.49669	1.9
55.05501	8.1
57.07058	5.2
65.03954	3.6
67.05489	12.6
69.05651	21.1
69.07068	11.8
71.08603	2.3
79.05466	12.4
81.07054	32.2
82.94186	2.2
83.08637	3.1
85.06537	5.8
85.53377	2.1
89.06026	3.6
91.05491	18.4
93.07045	31.4
93.71958	2.4
95.08604	37.4
97.06531	4.3
97.10169	2.9
98.23312	5.1
105.07031	34.4
107.08587	33.2
109.06493	2.5
109.10159	11.8
111.08070	3.6
117.07006	6.6
119.08572	45.5
121.06484	4.4
121.10142	24.4
123.08076	4.5
123.11691	5.8
125.05988	3.3
125.09668	2.4
125.12527	2.0
129.07001	3.7
131.08540	21.6
133.08604	2.6
133.10129	29.9
135.11682	8.4
135.34171	1.9
143.08574	9.9
145.10117	24.9
147.11691	15.5
149.09619	2.8
149.13229	14.7
151.11278	2.9
157.10091	12.1
159.11702	19.8
161.13275	5.9
163.14804	32.3
169.10144	4.6
171.11694	4.3
173.13242	12.5
175.14818	100.0
176.15196	5.3
177.16362	2.4
185.13269	9.4
187.14827	26.8
189.16364	35.6
191.14375	2.7
191.17953	3.8
197.13391	3.3
199.14845	9.8
201.16403	15.4
203.14403	3.8
203.17935	3.2
209.13338	2.4
213.16344	3.8
215.14305	3.0
217.15932	8.3
225.16367	3.8
227.17935	3.3
229.15941	3.2
233.15254	3.7
235.16924	4.5
241.19527	2.2
245.15553	3.2
293.22568	4.8
315.19534	2.8
333.20615	4.3
366.48514	2.1
387.30630	3.9
399.28931	5.6
405.31406	7.5
423.32840	14.7
433.30753	7.7
451.32083	19.4
469.27997	3.0
469.33197	38.4
470.34015	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	469.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	100.0
57.07089	23.9
63.31516	9.8
67.05495	59.6
69.07071	45.8
70.84695	26.8
79.05498	44.9
81.07051	95.4
83.08615	73.7
89.06047	29.1
91.05475	27.8
93.07062	62.2
95.04967	18.3
95.08618	82.6
97.10156	71.2
105.07037	33.1
107.08553	56.8
109.10155	45.6
117.07023	18.8
119.08597	38.8
121.10116	46.6
123.08089	12.0
123.11729	17.1
125.09675	57.6
131.08588	26.6
132.44019	9.4
133.10147	37.7
135.11699	29.5
145.10088	15.6
147.11674	14.1
149.13220	16.6
149.37602	11.6
159.11670	11.2
161.13234	10.2
173.13254	15.6
175.14906	10.0
178.22600	11.1
189.11209	44.7
189.16489	14.5
242.59698	9.8
247.89919	9.7
302.51752	10.6
380.24908	10.7
387.26825	10.4
397.31104	13.3
415.32092	42.6
433.33261	78.4
456.19009	12.1
469.32867	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69230	1.7
53.03952	5.0
55.01869	8.5
55.05508	40.1
56.05861	1.8
57.03446	5.0
57.07084	4.8
59.05001	3.0
65.03949	5.0
67.05501	80.7
69.03443	5.1
69.07069	54.3
69.07439	2.9
70.03799	6.8
70.07420	1.8
71.05007	8.0
79.05491	63.0
80.05827	1.7
81.03422	2.2
81.07051	85.2
83.04974	16.3
83.05329	1.5
83.08617	23.8
85.06567	6.5
91.05469	33.1
91.05947	2.4
93.07040	75.2
93.93830	1.9
94.07415	1.8
95.04974	9.5
95.08601	77.4
96.08974	1.9
97.06530	17.9
97.10178	18.7
98.22585	2.1
99.04475	2.6
99.08123	4.2
105.07028	39.7
105.07709	2.8
107.08591	58.1
109.06542	9.0
109.10146	58.3
109.10847	3.1
111.04449	3.1
111.08092	8.6
111.11755	3.8
113.06022	2.5
115.05495	2.0
117.07024	10.8
119.08576	51.3
119.09371	3.0
120.08916	3.6
121.06539	6.0
121.09263	3.6
121.10139	76.5
122.10502	2.1
123.04444	2.8
123.08058	11.7
123.11704	16.5
125.09635	15.3
127.11213	2.3
127.76806	2.0
129.07022	4.2
131.08557	21.9
133.06563	3.9
133.10132	37.2
133.11125	2.2
134.98164	16.3
135.08089	9.8
135.11684	38.8
135.12608	2.8
137.09583	12.8
137.13306	4.7
139.07588	2.1
139.11162	33.4
143.08536	8.8
145.10127	29.5
145.27661	1.8
147.08110	5.1
147.11687	18.7
149.09685	5.1
149.13217	14.1
151.11246	5.8
153.09164	4.1
155.08615	3.0
156.09297	2.3
157.08929	1.6
157.10153	10.3
157.12285	5.6
159.08118	4.2
159.11697	21.8
161.09715	5.5
161.13251	17.3
163.11208	8.1
163.14859	7.9
165.12816	3.3
167.10745	6.1
169.10170	4.2
169.12273	3.6
171.10292	3.0
171.11641	11.8
173.09714	3.1
173.11833	3.5
173.13223	17.8
175.09760	3.2
175.11275	5.4
175.14803	19.8
177.12772	3.9
177.16495	5.2
179.10677	2.4
181.12332	5.6
183.11765	5.4
185.09671	2.7
185.13272	12.7
187.11211	3.8
187.14806	17.1
189.11298	11.0
189.12717	3.0
189.16386	14.9
191.14339	3.7
193.15955	2.7
197.13402	5.1
199.11243	2.3
199.14812	8.9
201.12849	4.0
201.16394	8.2
203.14352	8.5
203.18088	5.2
205.15816	8.3
207.13881	1.8
211.14905	4.7
213.16299	8.2
215.14397	5.6
215.18025	7.0
217.16003	7.5
219.14311	1.8
219.17601	1.8
221.13538	2.8
221.15297	10.0
225.16417	4.2
227.18141	4.6
229.15999	2.9
229.19637	2.1
231.13756	2.3
231.21082	3.4
233.15572	3.1
235.17082	5.2
237.16505	2.5
239.18074	3.4
241.15884	2.2
241.19489	13.0
243.21338	2.1
249.22327	3.5
253.19615	3.7
255.21016	2.7
257.19226	2.6
259.20578	21.7
259.23041	2.1
261.18585	2.0
267.21155	2.3
269.19193	2.3
277.21609	46.3
277.24374	3.4
278.22134	3.4
287.20111	2.1
291.14713	1.7
295.22687	40.0
295.25842	2.0
296.23056	2.6
299.20203	1.8
309.25800	1.9
309.79333	1.9
335.26099	7.4
379.30032	2.0
397.31146	5.8
405.31699	7.3
406.31351	2.7
415.32068	19.1
423.32635	22.7
433.33231	20.2
439.32150	3.3
451.32547	22.7
452.32794	3.1
469.23083	2.9
469.33313	100.0
470.33835	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	470.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00640	2.3
55.01877	2.6
69.03431	4.9
70.06614	3.0
70.68729	5.7
70.69064	3.0
71.01381	2.5
73.35582	2.4
79.01849	3.7
81.03409	10.0
81.03864	2.8
85.02916	3.4
91.05472	2.6
97.02895	7.1
100.11258	11.5
102.97788	2.7
103.05428	5.6
104.05808	2.5
109.02888	9.9
121.02837	5.4
123.04436	10.7
125.02351	5.9
127.03931	8.5
131.04932	18.3
133.06517	2.4
137.05980	17.7
138.06291	6.3
139.03889	3.6
143.03401	5.3
151.03893	5.0
151.07495	4.4
153.01825	100.0
153.02895	4.1
154.02068	3.0
161.05861	3.4
163.07602	6.7
169.06477	2.5
171.02864	11.5
175.07574	2.9
181.04889	3.6
183.06581	5.2
205.04852	2.5
210.14870	2.7
226.62268	2.7
234.08669	2.8
273.10995	3.0
297.06085	8.5
299.78247	2.9
315.06995	5.7
448.33353	2.6
470.17361	8.2
471.01367	2.8
471.18054	15.5
471.35410	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	470.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03663	1.0
53.10910	1.1
69.03422	3.2
69.07090	0.9
70.26938	2.1
70.27305	2.5
77.64793	1.0
79.01874	2.1
81.03426	9.3
85.02909	5.6
97.02900	4.8
100.11279	1.2
107.01317	2.0
107.04940	2.3
109.02880	5.8
121.06518	2.5
123.04425	3.1
125.02381	3.7
127.03910	8.7
137.02423	1.3
137.05991	2.5
138.06384	1.4
143.03383	3.6
145.05023	1.4
147.04408	1.9
149.56677	1.1
153.01831	100.0
153.02873	4.6
154.02205	2.4
165.05510	1.3
171.02893	12.3
177.05502	3.3
297.05981	9.8
315.07092	14.2
376.26962	1.0
393.49112	1.1
470.18777	1.4
471.22641	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.2
55.01868	2.4
55.05522	7.8
57.03433	5.3
61.02928	9.3
62.92979	1.4
67.05494	4.0
68.80064	1.3
68.81138	1.3
69.03424	17.3
69.07066	77.3
70.07388	1.3
71.04987	5.0
71.31994	2.3
73.02911	2.7
73.79162	1.2
79.05473	2.4
81.03416	6.9
81.07069	7.2
83.04996	1.7
83.08617	2.6
85.02903	100.0
85.06532	2.7
87.04469	2.7
91.03952	3.3
91.05493	2.7
93.07039	4.6
95.04992	1.5
95.08611	3.0
97.02884	22.9
97.06534	3.4
98.09715	1.8
99.04443	8.1
99.08094	3.3
100.07645	1.7
100.11237	1.6
103.03967	2.1
105.07030	3.1
107.04958	2.0
107.08559	3.1
109.02880	10.9
109.06516	3.1
109.10167	4.2
111.04462	2.3
111.08090	5.5
111.11717	34.1
115.03922	2.4
119.08588	3.3
121.10094	3.2
123.04416	2.0
123.11736	2.5
127.03910	26.7
127.11179	4.5
128.07127	1.6
129.11800	2.5
129.12759	40.5
130.13071	1.9
131.08571	2.1
133.05025	1.6
133.10120	2.7
135.11719	1.9
137.05946	1.6
137.09604	2.8
139.11230	2.3
140.07117	3.5
141.12753	9.2
145.04961	36.6
145.10086	1.6
147.11655	2.3
149.09700	2.0
153.12691	1.7
159.07837	1.3
163.06020	12.7
163.11185	1.8
165.12830	1.8
169.04839	3.6
171.06586	1.7
174.05576	1.9
182.15408	3.2
185.27940	1.3
195.13795	1.7
197.11705	1.6
198.14871	4.9
210.14845	4.0
219.13838	2.2
226.14464	2.0
228.16162	1.5
237.14828	5.6
255.15927	6.5
259.07996	2.3
273.17023	4.5
291.18039	3.7
309.13010	4.2
325.03198	14.2
339.35080	1.3
355.22266	2.3
361.04208	2.1
465.30136	1.4
470.24487	3.0
470.31952	1.5
471.08847	2.9
471.18802	9.7
471.26166	3.2
491.89453	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.3
57.03436	7.5
58.06598	28.9
59.07380	9.4
60.08165	8.3
67.05504	6.3
69.07036	1.8
69.28613	2.9
73.02898	0.7
73.70501	0.4
75.04488	3.9
79.05467	1.4
80.89263	0.5
81.07058	5.2
83.04958	0.5
83.08596	0.9
84.08108	0.5
85.02882	2.0
87.04461	6.0
91.05457	1.6
93.05528	0.5
93.07008	0.8
95.08602	2.5
98.23330	0.8
105.05481	1.3
105.07005	1.6
107.08569	1.0
109.10155	0.5
119.08561	1.4
121.10075	0.7
124.28220	0.4
131.07018	1.7
132.06827	0.4
133.10095	0.7
135.11615	0.5
135.12601	0.5
144.10201	6.9
147.11671	0.6
154.11195	0.5
159.11658	0.4
162.11263	5.2
169.00809	0.5
217.32321	0.5
218.13898	0.9
236.14920	100.0
237.15248	3.3
365.48001	0.5
408.34866	0.5
452.33679	24.4
453.34042	1.9
470.34741	63.4
471.35135	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	470.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	22.9
67.05511	45.1
69.07063	32.0
69.32680	35.2
69.33099	20.2
79.05489	23.2
81.07060	30.5
83.08627	18.6
91.05464	21.6
93.07028	48.4
95.08593	58.3
96.07264	7.7
97.06555	9.3
97.10191	14.3
98.52562	7.0
105.07038	43.7
107.08593	84.4
109.06529	8.7
109.10151	24.2
110.10510	8.3
111.08076	9.9
117.07083	11.0
119.08574	56.3
121.06499	10.7
121.10131	81.6
123.08059	11.0
123.11687	17.7
131.08572	23.3
133.10133	68.4
135.11720	28.6
137.09593	16.5
145.10153	42.2
147.11687	30.8
149.09650	10.4
149.13275	14.2
159.11665	41.9
161.13246	24.9
163.11172	41.4
163.14900	11.6
170.11795	41.0
171.11720	8.9
173.13315	11.1
175.14848	14.8
177.09062	13.0
177.12750	15.1
187.14905	21.4
189.16362	46.6
191.17929	21.3
201.16391	82.7
203.17952	16.1
205.15866	95.5
206.16182	7.0
219.17419	83.1
229.15997	10.7
235.16870	38.6
247.16985	100.0
248.17328	8.2
249.18710	8.6
259.20535	8.9
389.32175	7.7
407.33224	51.5
408.33481	10.4
435.32864	8.5
453.33563	22.1
470.32990	15.9
471.34753	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	471.0806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.1
55.01890	1.4
55.05509	15.8
56.96563	48.1
57.03439	3.2
64.51612	1.0
65.64591	0.9
67.05492	1.2
69.61637	3.0
69.62046	1.8
70.06593	1.5
71.95238	1.7
74.25110	0.9
79.05480	1.4
82.06572	1.2
83.04961	1.7
83.08619	9.3
84.08110	1.8
84.96031	33.6
85.02931	1.6
95.01096	1.7
95.04962	4.5
96.01834	1.3
97.96806	1.4
98.09697	1.9
98.23308	1.3
98.97580	28.9
100.07615	4.3
100.11250	73.2
101.11560	1.1
102.97071	2.7
103.03957	2.7
105.03387	23.4
106.98085	1.6
110.06096	1.5
110.97556	5.6
111.04440	6.4
112.07578	1.8
112.99125	29.2
112.99891	2.1
113.02104	1.1
116.98627	13.1
117.13879	1.2
123.04412	6.1
124.04733	1.6
124.99109	2.2
126.09154	1.9
126.97059	2.7
127.00694	1.4
128.07059	5.4
128.98613	6.6
131.00163	35.7
134.99652	4.9
137.05980	2.1
139.03897	1.0
139.08606	1.6
140.07063	3.1
140.98645	2.0
143.00145	6.3
144.98099	7.8
146.99631	1.5
147.04446	1.0
147.11761	1.2
149.01222	16.3
150.96973	6.8
152.98537	1.5
153.01822	1.0
154.01869	1.2
155.00151	2.9
155.07050	1.7
158.99644	2.2
160.99019	5.5
161.01231	4.1
161.06035	1.0
162.99123	4.3
165.99367	1.3
167.07045	2.3
168.96715	1.0
168.98082	22.2
169.01686	1.0
170.99594	4.5
173.01205	13.5
173.47899	1.0
177.00568	1.0
179.00146	24.9
179.07045	3.2
181.08470	1.1
182.15401	19.9
182.16891	1.8
183.06526	3.8
184.00433	2.0
184.06883	1.8
185.01146	0.9
185.04219	3.8
185.06990	1.4
186.99135	43.9
187.99629	1.1
189.00706	4.7
189.05263	7.9
189.72426	1.0
190.98636	2.0
191.02257	7.2
193.01732	1.2
197.01205	99.3
198.01520	2.0
199.02786	1.3
201.00687	1.6
203.05365	1.0
205.00171	11.7
207.06534	2.7
209.01297	1.4
209.16458	11.5
210.14891	21.3
210.16798	1.7
211.02782	2.3
214.98944	1.9
215.02258	48.0
216.02689	1.6
219.06387	1.4
220.02808	1.6
225.00775	2.7
226.19116	1.8
227.02263	3.7
227.17566	3.3
228.15976	3.1
232.99673	2.9
233.03239	1.0
234.08615	10.1
235.02823	3.4
237.04301	1.9
239.02286	6.8
243.01695	5.4
245.03320	1.0
245.18593	2.6
253.00159	2.1
253.03886	8.3
257.04214	1.2
259.07959	1.2
263.02228	2.6
265.03699	1.7
271.01303	4.8
271.04736	2.0
281.03400	4.0
287.02112	1.3
289.02203	10.5
291.01749	6.1
295.01300	1.2
295.04819	1.4
305.03317	12.8
307.03455	1.5
309.02805	3.8
313.03781	4.1
323.04355	85.8
324.04840	4.0
325.04416	1.7
329.03256	1.8
331.04865	14.1
337.05771	1.2
337.21326	1.6
341.05453	9.2
343.30698	2.3
345.13153	1.4
346.05991	2.2
347.04367	24.4
348.04559	1.4
349.05957	2.9
365.05362	9.3
375.03815	12.3
393.04849	29.3
394.05267	1.3
411.05969	17.4
429.07080	5.8
441.17419	2.0
453.00668	1.6
453.34238	4.3
471.02185	1.7
471.07675	3.7
471.18298	85.4
471.35367	100.0
472.18768	3.4
472.35657	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	471.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59596	0.3
56.89645	0.4
59.29367	0.3
71.04565	0.6
83.01088	1.4
84.01863	0.6
84.62917	0.2
95.01091	2.2
96.01891	0.7
99.59152	0.3
103.31802	0.3
111.00597	0.4
112.01324	1.0
113.02114	3.3
126.02889	0.3
131.86392	0.3
141.05263	0.3
156.03925	0.3
157.04736	0.9
167.03125	0.4
185.04219	4.7
189.05217	2.3
201.03712	1.1
203.05255	1.2
219.06244	3.3
234.08618	19.5
235.09251	1.1
243.08435	0.7
246.38060	0.3
259.07904	2.9
261.11194	0.4
277.10477	2.2
309.13077	0.5
341.05225	0.3
396.13879	0.4
407.00693	0.3
410.97476	0.3
432.49939	0.3
440.16190	0.9
441.17490	2.1
449.53159	0.3
471.18350	100.0
472.18698	6.7
498.79767	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05464	0.9
69.03395	0.7
69.07049	0.6
71.33173	0.7
81.03389	0.8
81.07029	0.7
83.79481	0.5
85.02862	0.8
91.05450	0.9
100.11217	1.5
105.06971	1.2
107.04901	0.8
107.08558	0.8
110.09022	0.5
111.00533	0.7
111.04383	1.0
120.04296	0.5
123.04349	0.7
123.73040	0.7
137.02332	0.8
137.05913	1.6
137.61650	0.6
138.73694	0.6
139.03830	2.1
147.04381	0.6
151.03853	1.4
153.01724	0.8
153.05391	0.5
155.03357	0.6
165.74669	0.7
180.99579	0.5
181.25096	0.6
190.07681	0.5
203.05125	1.7
210.14799	0.8
212.21344	0.5
216.44475	0.5
221.11472	6.6
236.60742	0.5
247.12987	4.0
249.10902	3.1
256.56992	0.6
263.12592	0.5
269.44336	0.6
291.19318	0.6
299.42719	0.6
309.13068	47.5
309.16446	1.5
310.13190	2.4
369.18689	1.2
383.16595	0.7
409.21304	1.5
427.22473	2.2
471.17786	100.0
472.18097	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	471.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.8
55.01865	0.7
55.05503	2.9
57.07072	0.9
57.17255	0.3
65.03944	0.5
67.05507	6.2
69.03424	0.9
69.07066	3.0
69.20454	3.4
71.04983	1.5
78.31080	0.4
79.05486	4.5
81.03413	1.4
81.07056	8.4
82.67335	0.4
83.04982	1.2
83.08641	2.1
85.00582	0.4
85.02883	0.5
85.06544	1.1
91.05480	4.6
93.07042	7.1
95.04967	1.2
95.08605	13.3
97.06543	2.3
97.10147	1.1
99.04461	0.5
99.08057	0.9
103.04008	0.5
103.05456	0.4
105.07023	7.1
107.04945	0.6
107.08591	6.9
109.02863	0.4
109.06518	1.5
109.10153	5.3
110.10337	0.4
111.04426	0.6
111.08072	1.5
113.06010	0.7
117.07022	1.7
119.08578	7.3
121.06511	1.3
121.10138	6.5
123.08065	1.7
123.11735	2.2
125.09640	1.5
128.06218	0.5
129.06989	1.4
131.04930	0.6
131.08560	4.1
133.06531	0.5
133.10121	5.7
135.08054	2.1
135.11705	3.5
137.05952	0.6
137.09627	2.3
137.13246	0.7
139.07530	0.9
139.11195	0.5
141.07001	0.7
142.07709	0.5
143.08591	2.1
144.09341	0.4
145.10088	4.7
146.10445	0.5
147.08041	1.6
147.11684	3.8
149.09595	1.4
149.13290	2.1
151.03842	0.6
151.07571	0.6
151.11098	0.6
153.09126	0.4
155.08566	1.0
156.09480	0.5
157.06458	0.4
157.10120	2.4
159.04099	1.1
159.08061	1.0
159.11668	4.6
161.05983	0.5
161.09602	1.3
161.13226	2.6
163.07513	0.9
163.11183	1.3
163.14801	1.1
165.05455	0.4
165.09023	0.8
165.12753	0.6
167.10686	0.5
169.10133	1.6
170.10939	0.6
171.11647	2.4
173.09637	0.7
173.13222	3.4
175.07521	0.5
175.11209	1.2
175.14828	3.0
176.26657	0.4
177.12802	0.5
177.16333	0.8
179.07117	0.4
179.10652	0.5
183.11737	1.7
185.09555	0.5
185.13242	2.0
187.11092	0.8
187.14815	1.9
189.09125	0.4
189.12808	1.2
189.16376	2.8
191.14348	1.1
191.17935	0.7
193.15952	0.5
195.11595	0.6
197.09683	0.6
197.13248	1.2
199.11258	0.7
199.14835	1.3
201.12808	0.9
201.16440	1.5
203.10703	0.7
203.14368	1.5
203.17958	0.7
205.12273	0.4
205.15871	1.3
207.17473	0.8
209.13251	0.6
211.14914	0.8
213.12794	0.7
213.16374	0.6
215.14354	1.2
215.17906	0.8
217.12221	1.2
217.15898	0.6
219.13773	0.4
223.14877	0.7
225.16412	0.6
227.14342	0.5
229.15834	0.9
231.13771	0.7
233.11377	0.4
241.15880	0.5
245.15501	0.6
246.98979	0.4
247.16925	0.9
253.19417	0.4
255.17392	0.5
259.09521	0.7
259.17126	0.6
259.20505	0.4
274.11765	1.9
275.12219	0.4
277.21548	0.7
279.23438	0.5
285.11386	0.5
339.50830	0.5
389.28528	0.5
407.29449	0.9
417.27011	0.4
425.30270	2.0
435.28806	1.7
453.29700	3.0
470.36420	0.5
471.19897	100.0
471.29901	9.5
472.20163	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	471.2201
Annotation	Leu Ser His Asp
Peak:m/z	Relative Intensity
51.80864	0.2
53.03921	0.5
55.01879	0.6
55.05517	1.4
57.07073	0.3
59.90331	0.2
67.05504	1.7
69.03424	1.2
69.07068	1.7
69.25817	0.9
69.26237	1.2
79.05486	0.9
79.63800	0.2
79.76218	0.3
81.03413	1.1
81.07060	2.9
83.02164	0.3
83.04983	1.0
83.08641	0.5
85.02897	0.8
85.06546	0.5
90.84451	0.2
91.05497	1.4
93.07046	2.2
95.04971	0.5
95.08601	2.6
97.06538	0.4
97.10178	0.5
98.22558	0.4
103.02832	0.3
103.05470	0.7
105.07020	2.0
107.04952	0.5
107.08591	2.3
109.02896	0.9
109.06484	0.6
109.10156	2.4
111.04436	0.3
111.08090	0.3
115.05463	0.4
117.07010	0.5
119.08582	1.9
121.06522	0.4
121.10177	1.6
123.04403	0.3
123.08113	0.4
123.11697	0.9
125.09662	0.5
127.03927	0.5
129.07014	0.3
130.09850	0.3
131.04915	0.7
131.08566	0.8
132.13904	0.3
133.10100	1.3
135.08083	0.3
135.11664	1.2
137.05978	1.2
137.09578	1.3
137.13277	0.5
143.08551	0.7
145.10153	1.5
147.04465	0.4
147.11713	1.1
149.05940	0.6
149.09593	0.3
149.13196	0.4
151.03864	0.6
153.01770	0.3
157.10124	0.6
159.08043	0.6
159.11722	0.9
161.05997	2.2
161.13263	0.8
161.64383	0.3
163.07613	0.4
163.14841	0.3
164.08330	0.4
165.07056	0.3
165.09106	1.2
165.12682	0.4
171.11723	0.8
173.13290	1.0
175.07568	0.8
175.14796	0.6
177.05455	0.4
183.11729	0.3
185.04280	0.3
185.06035	0.4
185.13223	0.5
187.14822	0.8
189.05484	0.3
189.12863	0.3
189.16284	0.4
191.07014	0.4
191.14331	0.4
195.11700	0.3
199.14853	0.4
201.12802	0.4
203.07059	1.2
229.12257	0.4
267.10257	0.4
285.11099	1.9
291.26926	0.3
309.16672	1.6
309.27948	1.0
325.10837	0.4
327.12207	0.4
351.12228	0.6
471.21976	100.0
472.22330	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	471.3104
Annotation	Chaxalactin C
Peak:m/z	Relative Intensity
53.03924	1.3
53.57340	1.1
55.01865	1.3
55.05507	7.2
57.07066	2.9
59.05000	1.6
64.62234	1.0
65.70332	1.1
67.05510	9.6
69.03423	2.1
69.07080	9.9
69.89006	3.3
69.89397	2.7
71.04991	2.7
73.06623	1.2
79.05496	9.7
79.18156	1.1
79.64317	1.4
81.06630	1.1
81.07058	15.2
83.04997	2.5
83.08604	5.3
85.06521	4.9
91.05474	10.8
93.07037	17.7
95.04941	3.6
95.08600	20.3
97.06509	5.3
97.10165	2.4
98.22668	1.5
99.04456	2.0
99.08089	2.9
100.96460	1.1
105.07032	25.9
106.07299	1.3
107.04916	2.1
107.07918	1.8
107.08595	27.6
108.08911	1.5
109.06484	3.3
109.10162	13.2
111.08078	3.7
115.05380	1.4
117.07021	5.3
119.08586	25.8
121.06493	3.1
121.10134	23.5
123.08053	4.8
123.11691	7.7
125.05958	1.3
125.09618	5.3
128.06155	1.2
129.06990	3.2
131.08545	12.3
133.06493	2.9
133.10115	20.6
135.08096	5.5
135.11693	12.9
137.09633	6.0
137.13292	2.5
139.07452	2.0
139.11195	1.4
141.06898	1.6
142.07794	2.0
143.08571	9.3
144.09401	2.1
145.06401	1.4
145.10124	19.0
147.08000	2.5
147.11671	14.9
149.05974	1.6
149.09602	7.9
149.13246	5.6
149.14290	1.1
151.07480	1.8
151.11194	3.8
155.08495	2.5
156.09248	2.1
156.38695	1.2
157.10118	10.5
158.10712	1.1
159.08046	1.5
159.11693	23.2
161.09607	7.2
161.13232	10.1
163.07564	2.2
163.09926	1.8
163.11176	24.6
163.14795	4.1
165.12756	2.1
167.08495	2.2
169.10132	4.3
171.11699	7.6
173.09601	3.3
173.13246	9.5
175.11200	2.6
175.14844	6.1
177.12764	5.8
177.16360	2.5
179.10732	1.2
181.10107	2.7
181.12128	1.8
183.11687	7.2
185.09538	1.7
185.13258	11.1
187.11186	17.4
187.14819	9.7
187.63051	1.3
189.12776	9.4
189.16344	5.1
191.10529	1.3
191.14268	3.6
191.17943	1.9
195.11766	1.8
197.13261	4.7
199.11185	2.1
199.14757	6.5
201.12695	5.5
201.16339	8.1
203.14328	6.4
203.17859	1.8
205.12247	11.7
205.15869	18.7
207.17433	2.3
209.13199	2.6
211.14764	3.1
213.12883	1.4
213.16357	4.7
215.10873	1.4
215.14357	3.8
215.17934	1.4
217.12257	4.8
217.15904	3.3
219.13823	2.1
219.17415	7.0
221.15306	2.2
225.16408	2.6
229.15868	3.3
231.17671	1.5
233.11690	3.9
235.13240	3.7
237.16389	2.3
241.15744	2.0
241.19371	1.4
247.13213	1.6
247.16914	2.1
253.15570	1.2
253.19354	1.4
255.17473	2.6
269.19003	2.6
273.22134	1.4
283.20688	1.7
335.23245	1.3
347.23251	1.1
365.28387	2.2
367.26251	1.6
377.24155	1.2
383.29285	3.2
389.28363	3.6
391.29785	2.2
407.29343	18.3
408.29825	2.3
417.27515	1.7
425.30377	33.2
426.30667	3.5
435.28751	5.1
435.33588	1.8
448.64017	1.2
453.29504	28.5
454.30307	3.5
471.30914	100.0
472.31271	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	471.3468
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
55.05516	20.4
57.07086	9.6
62.06916	3.1
67.05505	29.1
69.07071	36.9
69.31541	8.3
69.31942	21.6
79.05481	25.2
80.61752	3.3
81.07052	52.7
83.04990	8.1
83.08619	31.2
91.05451	23.8
93.07040	55.9
95.04980	4.7
95.08601	90.9
97.06535	6.4
97.10190	21.8
98.22644	6.9
99.04390	7.3
99.08100	5.3
105.07024	47.4
107.08582	87.3
109.06531	7.2
109.10150	56.2
111.08032	3.8
111.11729	4.9
115.07575	8.0
117.07021	12.0
119.08574	100.0
121.10133	84.4
123.08087	9.5
123.11691	30.5
125.09665	6.9
127.07516	6.9
131.08563	35.6
133.10114	71.1
134.98116	4.7
135.08041	12.6
135.11708	34.9
137.13275	8.8
143.08565	12.1
143.10674	9.7
145.10118	49.5
147.11687	53.5
149.09615	12.4
149.13251	22.4
151.11163	5.2
153.09094	10.5
157.10068	18.6
159.11699	37.5
161.09628	8.7
161.13243	30.1
163.11189	9.0
163.14832	28.1
165.09134	5.5
167.10669	10.2
171.11601	18.0
173.13237	36.2
175.11194	7.1
175.14793	37.3
177.16383	16.8
179.10696	4.4
181.12247	5.9
185.13254	18.4
187.14803	79.5
189.12869	4.1
189.16393	76.3
191.17928	7.6
195.13681	7.0
197.13306	6.1
199.14838	15.3
201.16374	37.7
203.17943	30.9
205.15912	9.6
207.17477	9.4
209.15337	4.2
211.14635	4.7
213.16435	15.4
215.17941	40.9
217.15903	8.9
219.13911	4.6
219.17455	13.0
221.15414	4.3
221.19020	4.2
223.14856	4.5
223.16954	7.8
225.16460	3.8
227.18021	7.5
229.19514	38.6
231.17499	4.4
233.15379	7.2
233.19016	5.5
235.16827	18.7
237.18529	8.6
241.19385	7.2
243.20947	4.1
247.16937	8.1
249.18597	7.3
255.21150	9.3
259.16922	4.3
261.18561	8.4
275.20203	8.5
283.24210	22.0
301.21622	5.6
311.45212	3.5
329.24802	8.3
355.26309	8.0
389.32071	7.1
407.33051	40.8
409.34491	4.7
425.34143	63.7
426.34540	4.9
435.32684	17.9
453.33710	25.3
455.29877	3.4
471.24786	4.3
471.34970	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	471.3467
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
55.05513	6.0
61.95087	1.4
65.46935	1.3
67.05507	10.3
69.03426	3.3
69.07081	9.8
69.07413	2.0
69.26893	7.9
69.27297	2.5
71.04970	1.6
76.77569	1.2
79.05484	7.6
79.17759	1.3
81.07053	20.6
83.08639	6.6
85.06528	2.1
86.25768	1.3
91.05464	9.1
93.07037	19.3
95.04975	2.4
95.08595	36.7
96.08897	1.5
97.06522	2.1
97.10183	2.7
99.08112	2.0
104.21359	1.3
105.07027	24.4
107.08581	26.2
107.09231	1.9
109.06510	2.1
109.10146	25.1
111.08096	2.6
116.31918	1.6
117.07024	5.0
119.08574	29.8
119.09402	2.4
121.06472	2.2
121.10133	23.4
123.08101	3.2
123.11697	7.7
125.09660	2.3
128.06145	1.9
129.07080	2.2
131.08559	18.8
133.10100	15.2
135.08124	2.0
135.11679	16.4
137.13260	2.0
143.08559	8.9
145.10115	50.1
146.10469	2.1
147.11665	13.8
149.09625	2.5
149.13237	10.5
151.11172	1.5
155.08563	2.9
157.10129	10.2
159.11679	21.6
161.09714	1.5
161.13248	30.1
163.11179	4.2
163.14795	27.5
165.12793	2.2
169.10147	4.0
171.11674	10.1
173.09685	2.2
173.13231	9.5
175.14798	8.0
176.86626	1.4
177.12827	1.9
177.16324	8.1
179.14354	2.8
183.11717	4.5
185.13266	10.3
187.14812	100.0
188.15140	5.4
189.16420	12.8
191.14323	2.6
191.17984	2.8
193.15948	1.9
197.13229	3.6
199.14804	9.4
201.16377	20.7
202.16539	1.8
203.14334	1.9
203.17967	2.2
205.15971	4.0
207.17404	8.4
209.13438	1.6
211.14851	4.0
213.16368	14.6
215.17905	9.5
216.57712	1.6
217.15866	2.9
219.17441	4.5
223.14861	2.5
225.16396	4.8
227.17896	9.6
229.19510	3.1
230.02623	1.5
231.13612	1.7
233.15361	2.1
233.19051	12.3
237.16408	2.5
239.17989	4.2
241.19543	7.9
243.21130	1.9
245.19035	3.2
247.16838	1.7
251.17961	2.1
253.19537	3.2
255.21086	2.6
267.21057	3.0
269.22433	1.5
279.21329	1.7
295.24045	2.2
363.80515	1.5
379.33539	2.9
383.29456	29.6
384.29950	3.5
389.32083	19.7
390.31949	1.5
395.33032	5.1
397.34531	5.8
407.33038	47.9
408.33383	6.0
425.34113	66.3
426.34384	6.3
435.32870	2.9
453.33896	7.9
471.35107	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	471.3466
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
55.05511	33.4
57.07076	10.9
60.44574	4.4
61.37768	4.8
67.05500	29.6
69.07067	46.9
69.32400	16.7
69.32815	19.3
71.04976	6.2
76.66939	4.2
78.02386	5.0
79.05489	19.1
81.07052	51.9
83.08604	34.5
85.06516	10.0
91.05477	22.7
93.07038	55.1
95.04975	5.3
95.08600	87.7
97.06528	7.1
97.10171	20.5
105.07015	55.1
107.08579	100.0
109.06541	6.0
109.10146	61.3
117.07035	11.7
119.08582	96.6
121.10130	66.0
123.08073	6.9
123.11694	22.8
125.09674	9.0
127.07571	4.8
131.08548	26.3
133.10110	68.5
134.98166	8.6
134.99976	4.4
135.08081	9.3
135.11647	29.9
137.09627	12.3
143.08543	8.5
143.10655	14.1
145.10109	61.2
147.11644	40.0
149.09607	13.1
149.13283	19.3
153.09087	9.5
157.10130	21.1
159.11681	31.9
161.09598	6.9
161.13235	23.1
163.11137	10.2
163.14812	31.4
167.10703	17.0
169.10152	6.1
171.11726	14.6
173.13217	23.4
175.11192	8.7
175.14795	37.5
177.16386	30.2
179.10664	7.3
181.12276	17.3
183.11627	5.5
185.13240	12.9
187.14810	92.7
189.12773	7.7
189.16394	82.6
190.16690	7.2
191.17944	8.8
193.15894	6.1
195.13753	5.5
199.14903	16.4
201.16365	63.1
202.16922	6.3
203.18002	20.6
205.15933	6.9
207.13858	6.4
207.17482	8.2
213.16475	13.0
215.17931	19.2
217.15977	7.1
219.13800	7.1
219.17502	15.8
221.15302	7.1
223.16946	9.5
229.19511	13.9
231.17488	6.7
233.15390	5.9
233.18973	7.6
235.16930	24.7
237.18517	11.5
241.19328	5.4
247.16986	18.2
249.18460	11.1
257.89072	4.5
261.18735	5.6
283.24347	15.4
301.21780	5.5
329.24707	6.0
348.31949	6.2
355.26321	7.6
407.33133	36.2
425.34085	69.8
435.32620	13.3
443.34930	7.8
453.33627	28.1
471.34644	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	471.3464
Annotation	Lantic acid
Peak:m/z	Relative Intensity
55.05503	1.2
57.03418	0.4
57.07059	0.5
58.06591	0.8
59.07377	0.4
60.08142	0.4
67.05500	2.1
69.03421	0.4
69.07056	2.5
79.05477	1.5
81.07053	4.0
83.04975	2.0
83.08610	1.2
85.06526	0.4
91.05467	1.5
93.07040	3.7
95.04964	0.8
95.08599	8.5
97.06532	1.2
97.10161	0.3
98.23378	0.7
105.07027	6.5
106.07392	0.3
107.08585	6.9
108.08917	0.3
109.06512	1.0
109.10147	4.1
111.08076	0.7
117.07030	0.7
119.08573	8.1
120.08894	0.6
121.06544	0.3
121.10132	5.5
123.08085	0.9
123.11697	2.3
125.09657	0.5
131.08575	1.2
133.10124	5.0
135.08038	0.8
135.11681	5.4
136.11974	0.3
137.09589	0.3
137.13271	0.8
139.07535	0.4
139.11156	0.4
141.06976	0.6
143.08553	1.4
145.10123	2.1
147.08072	0.8
147.11681	3.5
149.09668	1.4
149.13228	2.0
150.45390	0.3
151.11270	0.6
153.09113	0.7
155.08571	0.9
157.10106	1.8
159.08058	0.5
159.11664	2.2
161.09636	2.6
161.13260	2.4
163.14828	1.2
169.10120	0.9
171.11656	1.6
171.84012	0.3
173.09683	0.3
173.13239	2.5
175.11171	1.5
175.14810	6.4
176.15070	0.4
177.16331	1.7
179.14314	0.5
183.11678	1.1
185.13245	0.9
187.11197	1.0
187.14784	2.1
189.12854	0.8
189.16370	12.3
190.16768	0.7
191.17871	2.2
197.13295	1.6
199.14764	2.5
201.12672	0.4
201.16472	1.1
207.13904	0.4
207.17488	1.1
211.14859	1.0
213.16313	1.4
215.14256	1.5
215.17833	0.5
217.15854	6.7
227.17964	1.1
229.15901	0.6
229.19560	0.6
231.17558	0.5
235.16893	6.7
236.14903	2.7
239.17932	0.5
241.19547	0.5
243.20985	0.6
245.18877	0.5
253.19481	2.5
255.21021	0.4
257.19058	1.2
267.20987	0.8
271.20584	4.4
272.20847	0.4
273.18488	0.6
282.40231	0.3
285.22256	0.4
299.20227	0.4
301.21494	0.4
303.19476	0.4
313.21658	0.3
317.21219	1.5
325.21198	0.3
337.25311	0.5
389.31876	0.5
407.32944	2.0
425.34119	8.8
426.34528	0.8
435.32483	0.9
453.33713	0.8
454.35333	0.9
471.34668	100.0
472.35101	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	471.3467
Annotation	hyperinol B
Peak:m/z	Relative Intensity
55.05516	12.1
56.18357	3.5
57.07085	4.2
58.24701	3.5
67.05484	18.4
69.07062	17.6
69.61695	22.0
71.04991	13.5
79.05492	13.6
81.07048	27.6
83.05006	4.6
83.08616	9.1
91.05472	17.9
93.07039	34.6
95.08598	41.5
97.10213	5.2
99.08130	4.9
105.07013	31.2
107.08591	56.6
109.06519	7.7
109.10139	31.9
111.08090	5.1
111.35880	3.1
115.05353	4.6
117.07039	9.8
119.08584	58.0
121.10148	39.4
123.08083	6.1
123.11703	12.6
125.09618	6.5
127.11179	4.6
129.06990	5.5
131.08556	24.2
133.10120	44.2
135.04634	4.1
135.08083	10.2
135.11688	24.4
137.09599	7.1
143.08569	12.7
145.10124	37.0
147.08073	4.6
147.11682	28.8
148.08258	3.8
149.09572	8.1
149.13280	11.6
151.11209	4.5
156.09344	4.2
157.10123	11.3
159.08023	5.7
159.11696	32.1
161.13271	17.2
163.11215	11.7
163.14786	7.0
169.10098	5.5
170.10776	3.4
171.11671	10.2
173.09633	3.3
173.13280	12.6
175.11182	8.0
175.14810	20.9
177.12794	6.6
177.16377	10.3
181.12270	5.2
183.11760	4.9
185.13255	13.5
187.11157	8.3
187.14842	21.1
189.12773	4.4
189.16411	19.3
191.14388	5.1
191.17989	4.6
197.13295	4.8
199.14848	8.0
201.12892	6.4
201.16299	27.8
203.14337	11.1
203.18002	8.7
205.15880	11.5
209.13428	4.9
211.14951	7.1
213.16341	5.0
215.17941	9.8
217.15817	5.1
219.17447	8.0
225.16522	5.6
227.18103	6.1
229.15895	6.8
231.17392	4.0
243.17456	4.7
247.16972	12.9
292.97855	4.3
312.63284	3.6
327.23215	6.0
353.24673	4.6
368.65744	4.0
407.33170	9.9
417.27975	4.4
425.34183	12.1
435.27533	5.1
435.33463	21.1
453.34494	100.0
454.33746	14.4
471.23416	8.6
471.30627	17.4
471.35699	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	471.3466
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
53.03936	2.7
54.11974	2.0
55.01849	2.3
55.05495	8.5
57.03420	7.4
57.07059	6.8
58.06595	23.8
59.07377	9.2
60.08173	10.0
67.05510	17.9
69.03405	2.2
69.07063	13.4
69.54986	9.0
75.04471	3.9
79.05480	12.1
81.07050	25.1
83.04983	5.2
83.08623	9.6
87.04448	5.1
91.05460	13.4
93.07032	26.1
95.04959	4.1
95.08597	42.1
97.06522	4.5
97.10163	5.5
98.23306	2.4
99.08045	2.3
105.07011	25.6
106.29948	2.0
107.08588	38.4
109.06511	6.3
109.10139	23.8
111.08085	4.9
114.95912	2.3
117.06994	6.6
119.08572	46.5
120.08865	2.8
121.06488	3.6
121.10118	32.9
123.08030	4.9
123.11684	7.9
125.09602	3.3
129.07005	2.2
131.08575	15.0
133.10126	35.6
135.08101	5.3
135.11685	17.3
137.09558	3.5
137.13290	2.6
143.08574	7.2
144.10181	7.5
145.10117	28.8
147.07961	2.1
147.11693	15.4
149.09596	4.8
149.13217	11.1
151.07536	2.9
151.11194	2.2
155.08510	2.3
157.10126	10.0
159.11691	26.6
161.09688	3.0
161.13271	11.4
162.11238	5.5
163.07550	3.6
163.11182	4.2
163.14752	10.5
167.83154	2.1
169.10150	2.4
171.11688	7.3
172.95250	3.1
173.13289	14.2
175.11191	4.3
175.14801	17.2
177.09149	3.4
177.12741	3.3
177.16376	7.0
181.12273	4.7
183.11810	3.0
184.12222	2.0
185.13235	7.6
187.14801	24.6
189.16365	15.6
191.10635	2.5
191.14328	3.5
191.17932	8.9
197.13280	2.4
199.14819	4.7
199.58211	2.5
201.12758	3.1
201.16379	29.6
203.17932	10.2
205.15833	12.3
211.14764	2.6
213.16368	5.1
215.10597	2.6
215.14139	4.0
215.17917	5.5
217.15845	3.9
217.19284	2.5
219.17453	7.3
221.15242	2.3
227.17793	4.1
229.15959	2.3
229.19463	6.5
233.11617	4.0
233.18962	2.9
235.16954	5.7
236.14915	100.0
239.41418	2.3
241.19548	3.3
243.21117	6.0
247.16905	17.9
254.42714	2.0
269.22726	2.7
275.19760	2.6
287.20197	3.0
311.23480	3.6
317.17941	3.0
337.25403	2.5
407.33496	10.6
425.34259	15.5
435.33020	11.8
453.34308	14.9
454.35291	24.6
471.35284	21.3
472.36298	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	471.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23741	2.2
53.60843	2.1
55.01861	4.6
55.05504	20.2
57.07065	8.1
59.05003	3.0
66.64478	2.6
67.05498	32.5
69.03426	7.0
69.07062	22.7
71.04986	8.9
71.10448	3.2
79.05484	27.7
79.43081	2.0
81.07050	55.0
82.07384	2.3
83.04959	8.3
83.08607	20.0
85.02901	2.3
85.06531	6.8
87.33392	2.1
89.05981	2.0
91.05474	32.3
93.07035	46.7
95.04964	10.7
95.08598	55.7
96.08944	2.2
97.06518	15.2
97.10143	10.4
99.04420	6.5
99.08076	7.2
101.06039	2.8
105.07018	47.5
106.31535	2.2
107.04966	4.0
107.08582	55.4
108.08892	3.8
109.06526	11.5
109.10154	42.7
111.08076	10.4
113.09593	2.4
117.07005	12.3
117.47514	2.2
119.08575	64.1
120.08889	2.7
121.06500	6.6
121.10126	45.6
122.10410	3.1
123.08069	17.2
123.11687	16.9
125.09599	13.1
127.11201	7.5
129.06972	5.3
129.09096	2.3
131.08588	22.3
133.10117	39.1
135.08017	14.6
135.11658	23.2
137.05992	3.3
137.09584	9.1
137.13249	7.4
139.11177	7.7
141.09131	4.2
143.08553	15.6
144.09229	2.4
145.10109	36.1
146.10425	3.5
147.08011	7.9
147.11671	27.2
148.12010	2.9
149.09668	10.8
149.13246	15.1
151.07526	5.9
151.11143	5.6
152.07834	2.1
155.08569	5.8
156.09320	5.9
157.10126	16.0
159.08034	6.9
159.11681	26.9
161.09627	13.3
161.13264	18.6
163.11151	17.3
163.14801	9.4
165.09146	3.2
165.12790	7.5
167.10715	3.5
169.10165	8.6
171.11674	17.7
173.09564	5.4
173.13219	25.4
174.13556	2.9
175.11169	9.7
175.14783	15.7
177.09052	2.9
177.12706	8.3
177.16359	7.1
179.10703	4.4
179.14336	3.2
181.10062	3.7
181.12256	8.6
183.11665	9.8
185.09560	4.1
185.13248	13.1
187.11171	12.0
187.14798	17.7
188.15280	3.2
189.12732	6.4
189.16451	14.0
190.16513	3.2
191.14282	9.5
191.17934	5.1
193.15910	3.1
195.11656	3.1
197.13301	10.5
199.11162	3.7
199.14825	9.9
201.12729	6.6
201.16383	10.1
203.10590	2.4
203.14238	10.4
203.17928	6.8
205.12221	2.6
205.15904	17.5
206.16245	3.4
207.11835	2.9
207.13794	3.5
207.17346	3.7
209.13306	4.3
211.14783	7.6
213.16350	8.6
215.10449	3.5
215.14330	7.4
215.17941	4.9
217.12183	5.9
217.15904	4.0
219.13770	4.8
219.17410	6.1
221.15305	3.9
225.16322	6.4
227.14333	3.6
227.17982	4.6
229.15929	4.7
231.13795	3.6
231.17342	4.4
233.11649	3.0
233.15392	6.2
235.16959	6.0
243.17450	2.6
245.15317	2.6
247.16991	3.2
251.18175	2.8
287.20065	2.6
307.24353	3.4
350.27194	2.2
353.24722	3.6
367.26245	2.9
380.08417	2.6
385.27219	5.6
407.29321	6.9
425.30002	5.0
435.27713	4.3
435.32474	14.1
443.31253	4.9
450.47293	2.3
453.34161	100.0
454.33939	10.0
471.23642	3.5
471.29883	32.6
471.34424	14.6
472.35553	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	471.347
Annotation	Liquiritic acid
Peak:m/z	Relative Intensity
55.05512	18.5
57.07086	7.5
67.05505	26.6
69.07064	34.6
69.79551	16.5
71.04988	4.3
79.05503	24.9
79.89072	3.2
81.07057	66.4
81.25114	3.3
81.55000	3.2
83.08614	13.6
91.05471	26.9
93.07045	56.8
95.04955	4.9
95.08025	5.5
95.08605	94.7
97.06519	7.9
97.10165	7.1
105.07031	58.9
107.08595	81.2
109.06535	4.7
109.10156	59.4
111.08059	5.8
117.07011	12.5
119.08584	81.2
120.08882	3.5
121.06465	3.3
121.09276	3.9
121.10144	72.1
123.11713	37.0
125.09634	4.0
129.07002	3.7
131.08577	32.5
133.10120	54.0
135.08022	5.6
135.11697	53.2
137.09598	4.4
137.13222	6.3
139.11185	4.8
143.08543	18.9
144.09277	4.4
145.10121	62.8
147.11681	28.9
149.13269	47.1
157.10130	18.9
159.11685	34.9
161.09631	5.9
161.13249	37.9
163.14828	87.6
164.15176	5.7
165.12770	7.2
169.10115	12.2
171.11688	19.7
173.09599	4.1
173.13271	31.3
175.11217	4.5
175.14880	35.7
177.16422	12.8
179.14357	6.8
183.11679	12.6
185.13289	25.8
187.14803	100.0
188.15337	5.4
189.12717	4.7
189.16403	41.1
191.17970	5.3
197.13202	12.5
199.14809	13.5
201.12825	3.7
201.16405	24.9
203.14323	10.1
203.17964	9.3
207.17421	15.8
211.14833	10.8
213.16386	19.5
215.17937	15.0
217.15981	8.3
217.19452	6.3
219.13866	9.7
223.14752	4.8
225.16376	8.8
227.17879	16.2
229.19572	9.2
233.19003	11.5
235.16957	5.8
237.16322	5.5
239.17978	12.6
241.19484	13.7
243.20927	3.8
245.19095	4.2
247.20563	4.1
253.19524	11.7
265.19516	4.8
267.21045	10.8
271.20612	3.9
273.18390	4.4
281.22675	4.3
295.24091	4.0
299.20056	5.3
305.22488	3.7
338.32797	3.7
365.28094	4.5
389.31982	31.3
390.32330	3.9
397.34717	23.3
407.28839	4.6
407.33182	48.0
408.33594	6.7
425.34238	70.0
426.34558	8.5
435.32733	48.8
436.32739	5.6
453.33813	50.6
454.34637	5.5
471.24606	4.2
471.35049	73.7
472.35757	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	471.3468
Annotation	Pinicolic acid E
Peak:m/z	Relative Intensity
53.03964	2.3
54.12995	1.4
54.76846	1.4
55.05509	18.4
57.03436	3.6
57.07072	5.5
67.05507	24.9
69.03426	1.7
69.07068	24.0
69.32709	10.2
71.05007	4.0
71.08626	3.5
79.05486	17.4
81.07053	43.1
83.04987	2.3
83.08627	10.7
85.06556	5.2
89.94949	1.6
91.05468	7.7
93.07040	25.1
95.04978	3.0
95.08602	39.1
95.09200	2.7
97.06538	6.6
97.10165	5.3
99.04465	3.5
101.06005	3.9
105.07034	21.8
107.08591	37.1
109.06520	4.6
109.10149	34.5
111.04470	2.0
111.08091	4.1
111.11751	3.0
117.07034	7.1
119.08587	28.2
121.10149	33.0
122.10477	2.1
123.08076	4.5
123.11710	13.0
125.09626	3.4
127.07529	3.3
129.07005	2.7
131.08574	13.4
133.10135	22.3
134.98167	24.7
135.08058	3.0
135.11696	22.3
137.09630	2.3
137.13274	4.6
139.07541	1.7
139.11203	1.8
142.07726	2.1
143.07602	1.8
143.08533	10.3
145.10124	20.4
147.08064	2.9
147.11664	14.1
149.09618	3.5
149.13257	9.4
151.11203	4.2
153.09100	2.9
157.10117	13.1
159.11700	17.2
161.09584	2.3
161.13248	11.6
163.07571	2.0
163.11214	3.0
163.14861	5.7
169.10078	2.9
171.11684	13.6
173.13277	12.1
174.13768	1.7
175.11212	2.7
175.14877	7.4
177.12720	2.9
177.16443	4.5
181.12305	2.1
183.11685	2.3
185.13263	13.2
186.06589	1.5
187.14825	13.6
189.16371	10.5
191.14404	2.2
195.13875	1.8
197.13297	2.7
199.14767	8.3
201.16403	7.6
203.14301	1.9
203.17938	4.9
205.15933	3.8
209.13606	1.9
211.14801	2.2
213.16492	5.6
215.17990	5.4
223.14868	2.4
223.17004	2.0
226.16927	2.0
227.17917	11.9
228.18629	1.8
229.19545	14.6
233.19153	2.0
239.17813	1.8
241.19521	16.5
243.21066	2.5
247.16986	2.9
253.19623	2.0
255.21036	12.3
267.20767	2.0
269.22607	2.1
273.18521	2.0
275.20172	4.1
277.21686	3.7
281.22726	3.1
287.20081	3.0
301.21631	3.2
315.23123	1.8
319.27399	2.1
329.24890	2.2
337.27383	8.2
355.26132	1.9
407.24741	1.7
407.33246	12.1
425.34137	100.0
426.34390	12.5
435.32513	5.2
453.34167	7.5
471.24927	14.1
471.35175	21.7
472.35507	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	471.347
Annotation	Lantic acid
Peak:m/z	Relative Intensity
53.03951	1.0
53.95830	0.9
54.72939	1.1
55.05513	10.0
56.37101	1.0
57.07067	3.4
59.05004	1.2
67.05503	9.4
69.07072	11.6
71.05006	1.8
75.71836	1.1
79.05495	7.0
81.07054	20.1
83.04980	1.8
83.08622	5.2
85.06542	4.4
91.05482	6.2
93.07037	15.7
95.08599	20.6
97.06516	1.7
97.10178	3.2
98.22569	1.7
99.04427	1.9
101.06039	2.4
105.07029	11.8
107.08590	25.3
109.06494	2.6
109.10150	20.4
111.08118	1.1
117.07009	2.3
119.08578	18.0
119.09325	1.7
121.10150	20.7
123.02452	1.0
123.08076	2.5
123.11712	8.6
125.09718	1.3
127.07590	2.2
129.06979	2.8
131.08578	5.6
133.10118	14.6
133.11017	1.2
135.08047	1.8
135.11690	14.5
135.23312	1.2
137.13295	3.7
143.08559	4.5
145.10114	12.4
147.11690	12.4
149.09587	2.0
149.13237	7.0
151.11172	3.6
153.09198	1.9
157.10101	9.4
159.11700	13.0
161.13237	6.8
163.11198	1.3
163.14836	5.1
171.11655	8.2
173.13266	8.2
175.14803	5.6
177.16446	1.8
179.14221	1.3
181.12267	1.4
185.13283	5.8
187.14822	7.8
189.16476	3.7
191.14287	1.3
191.17964	1.1
195.13983	1.6
197.13326	1.7
199.14850	5.5
201.16388	5.5
203.17966	3.0
213.16418	5.7
215.17964	3.4
217.15836	1.4
223.16934	1.9
227.17946	10.2
228.18661	2.9
229.19525	10.4
235.09630	2.2
235.16896	2.0
239.17986	1.3
241.19499	13.8
243.21213	3.8
247.16812	1.3
255.21092	10.7
257.22626	1.4
269.22614	1.2
273.18494	1.2
277.21631	1.6
281.22708	3.3
287.20157	2.5
301.21643	3.8
303.23306	1.6
311.26996	1.7
315.23294	1.2
325.28860	2.2
407.33047	5.7
425.34131	100.0
426.34543	8.5
435.32605	3.3
453.33414	5.1
471.28839	1.5
471.34897	16.6
472.34830	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.4
55.05516	22.6
57.07063	5.5
59.17356	3.1
66.92171	3.2
67.05505	23.9
67.40025	3.4
69.07057	22.7
69.30716	8.2
69.31127	16.9
71.16668	3.3
75.78491	4.0
79.05489	22.7
80.83135	2.9
80.99902	3.1
81.07051	44.4
83.08604	16.9
91.05479	27.6
93.07039	46.3
95.08606	80.7
97.06533	4.1
97.10131	3.7
105.07028	50.0
106.77749	3.4
107.08594	81.4
109.06548	6.3
109.10158	50.1
111.08055	8.6
117.07006	11.9
119.08570	100.0
120.08977	4.4
121.10133	61.7
123.08090	5.6
123.11659	20.2
129.07016	4.6
131.08556	31.8
133.10120	72.9
135.08073	6.5
135.11668	31.9
137.09627	5.3
137.13304	4.9
143.08574	9.4
145.10120	57.8
147.11650	34.9
148.11948	4.4
149.09622	4.6
149.13268	18.7
149.14360	3.7
151.11203	6.3
153.09058	4.7
154.43741	3.2
157.10159	14.5
159.11700	50.7
161.13248	20.6
163.07530	5.5
163.11214	4.6
163.14841	15.9
169.10104	3.8
171.11728	9.7
173.09544	3.8
173.13251	31.8
175.14815	27.1
177.09154	15.8
177.12715	8.2
177.16382	9.6
183.11702	4.6
185.13235	11.1
187.14838	34.0
189.16325	29.3
191.17982	14.6
195.13864	4.4
197.13324	5.7
199.14828	14.9
201.16388	64.0
203.09073	3.7
203.17915	19.3
205.15907	17.1
205.19551	6.7
211.14847	6.0
213.16360	5.7
215.14211	5.5
215.17947	11.0
217.15897	5.0
219.17427	12.0
221.15274	4.0
223.16953	4.2
227.17976	6.7
229.15791	8.1
229.19489	14.6
235.16928	8.9
239.17529	3.5
241.19569	6.5
243.21078	9.3
247.16954	34.1
255.21152	7.2
269.22653	4.3
277.21558	4.3
279.23270	5.5
287.20193	3.3
289.21542	4.3
293.22247	3.5
297.24194	3.7
301.21735	4.9
311.23489	5.9
407.32974	15.5
425.34143	22.2
435.32263	12.3
453.33594	5.2
471.24133	6.2
471.34467	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	471.3467
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
53.03949	0.7
53.67467	0.5
55.01866	1.1
55.05503	7.0
57.03426	1.0
57.07065	1.8
57.27058	0.5
59.04996	0.6
67.05499	13.8
68.79832	0.4
69.03421	1.4
69.07063	10.9
69.07439	0.6
69.22920	0.6
69.55135	1.2
69.55544	2.6
71.04996	2.0
75.94569	0.5
79.05486	10.0
81.07051	24.1
83.04972	3.0
83.08611	3.7
85.06544	1.6
91.05470	7.1
93.07037	18.9
94.71473	0.5
95.04974	2.1
95.08598	25.0
96.08950	0.7
97.06535	3.4
97.10184	1.8
98.22649	0.6
99.04463	0.6
99.08093	0.8
105.07019	14.7
106.07370	0.6
107.04982	1.0
107.08584	20.0
108.08891	0.7
109.06509	2.9
109.10151	14.3
109.10877	0.8
111.08066	3.0
111.11750	0.9
113.09634	0.9
117.07031	2.3
117.64906	0.5
119.08569	19.4
119.09406	1.1
121.06514	1.3
121.09267	0.9
121.10138	15.9
122.10488	0.6
123.08042	2.4
123.11694	5.8
125.06036	0.8
125.09636	1.7
127.07571	0.7
127.11192	0.9
129.07031	1.9
131.08562	7.8
133.06505	0.6
133.10118	17.1
134.10495	0.9
135.08028	2.5
135.11682	12.9
137.09636	1.9
137.13300	1.6
139.07582	1.8
139.11151	4.3
143.08560	4.8
144.09308	0.5
145.10123	10.5
147.08025	1.5
147.11682	9.9
148.12027	0.6
149.09676	1.6
149.13255	5.2
151.11191	1.7
153.09103	1.5
153.12753	0.6
155.08594	1.5
156.09360	0.8
157.10161	4.5
158.10745	0.6
159.08057	0.6
159.11676	8.1
161.09567	2.5
161.13260	8.5
163.11221	1.9
163.14784	3.8
165.09103	1.2
165.12688	1.1
169.08759	0.5
169.10150	2.1
171.11668	3.7
173.09694	1.1
173.13216	6.2
173.14540	0.6
175.07655	0.6
175.11209	2.1
175.14803	10.3
176.15222	1.0
177.09091	1.0
177.12813	1.2
177.16409	1.8
179.10773	0.6
179.14389	0.6
181.10245	0.6
181.12274	1.4
183.11757	2.1
185.09581	0.7
185.13255	7.6
185.38780	0.6
186.13728	0.9
186.90356	0.6
187.11206	1.3
187.14815	7.6
189.09178	0.9
189.12808	1.6
189.16376	16.0
190.16812	0.7
191.14308	2.0
191.18005	1.1
193.16010	1.0
195.11766	0.7
197.13365	1.6
199.11223	0.6
199.14786	5.0
200.15260	0.8
201.16341	6.0
202.16689	0.9
203.14284	9.1
203.18027	2.4
205.15944	2.1
207.17464	4.4
209.13272	1.2
211.14929	1.4
213.12779	0.7
213.16306	2.5
215.14281	1.0
215.17924	1.4
217.12303	0.7
217.15918	2.1
219.13853	1.2
219.17523	1.2
221.15471	1.6
225.16389	1.0
227.14461	0.6
227.18024	2.3
229.15919	1.0
229.19444	1.2
231.13774	0.8
231.17509	1.3
233.15515	1.3
235.16994	0.6
239.18071	0.9
241.19627	0.8
243.13853	0.6
243.17480	1.0
243.21106	1.6
245.15460	1.2
245.18950	0.8
247.17084	1.0
249.14931	1.9
253.19649	1.5
255.21198	0.7
261.22089	2.7
263.16382	0.7
267.21191	1.5
271.20694	0.6
273.22253	0.5
279.23199	9.1
280.23807	0.9
285.22247	0.7
297.24246	2.7
299.20313	0.8
301.21613	0.7
301.59561	0.5
303.23187	0.6
345.24188	0.9
389.26999	1.0
389.31873	0.8
399.32471	1.7
407.33313	3.9
417.27951	0.8
417.33490	2.8
425.34344	7.3
426.34564	0.9
435.28296	0.8
435.34659	2.8
453.34766	5.4
470.48526	0.6
471.34781	100.0
472.35132	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	471.3468
Annotation	Kunzeanone C
Peak:m/z	Relative Intensity
53.03924	2.6
55.05508	6.5
57.07074	7.7
59.05011	2.1
67.05507	12.2
69.07075	13.0
71.05001	2.7
79.05492	16.2
80.63771	1.9
81.07054	28.7
83.04987	2.9
83.08617	5.1
85.06551	3.6
91.05476	11.0
93.07047	31.8
93.96643	1.5
95.04968	1.8
95.08611	36.1
97.06532	8.1
98.23309	5.2
105.07038	26.1
107.04939	4.5
107.08598	44.4
109.06528	2.2
109.10166	29.7
111.08093	5.7
117.07059	2.5
119.08585	23.0
121.06537	2.9
121.10143	52.0
121.10995	3.4
123.08050	4.9
123.11707	10.1
125.06000	7.4
125.09625	12.3
130.53833	2.0
131.08583	3.7
133.10143	13.4
135.08054	2.3
135.11690	12.3
137.09628	3.3
137.13261	2.2
139.11195	8.3
145.10095	4.0
147.11687	24.0
147.12749	2.9
149.09619	13.2
149.13239	3.6
151.11157	2.1
153.09102	8.8
157.10075	2.6
159.11703	5.0
161.09660	4.0
161.13271	10.5
163.07568	2.0
163.11201	4.9
163.14867	5.0
167.10669	32.3
175.14850	5.7
177.09108	13.5
178.09372	1.7
179.10663	3.4
189.16393	4.7
195.10150	29.5
201.16464	3.4
203.17957	33.9
205.12326	3.9
221.19069	2.3
229.30949	2.5
233.15413	2.2
235.13289	2.8
237.14697	1.9
247.16876	2.3
249.14725	9.6
251.16420	100.0
252.16740	5.5
275.16376	16.9
315.19879	2.3
397.27359	4.3
401.30588	11.4
411.32748	4.1
453.33698	30.7
454.33600	2.7
471.34753	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	471.3675
Annotation	oscr#37
Peak:m/z	Relative Intensity
55.05506	19.7
57.07067	23.1
66.39877	4.8
67.05501	24.7
69.07066	38.6
71.08613	17.2
71.33450	8.4
79.05495	14.6
81.07051	45.4
83.04992	5.8
83.08625	21.5
85.06522	5.7
85.10169	7.9
86.47484	5.2
91.05447	7.2
93.07029	27.6
95.08609	41.5
97.06539	7.5
97.10178	18.7
102.36150	5.2
105.07069	9.7
107.08591	23.8
109.10172	18.3
119.08598	12.2
121.10149	24.8
123.11727	13.4
125.09608	7.7
133.10139	10.8
135.11711	15.1
139.11162	15.4
142.56395	4.9
149.13297	13.9
157.10176	6.2
157.12151	5.7
159.11682	8.4
161.13246	7.3
163.14851	5.9
179.14380	5.5
203.17982	5.1
233.22565	11.4
251.23636	8.6
261.22015	6.2
279.23163	20.5
283.26285	6.5
294.75998	5.2
315.25281	100.0
471.34439	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	471.368
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06375	3.1
53.03939	4.3
55.01865	3.9
55.05516	26.4
57.03445	4.0
57.07067	5.8
67.05509	79.2
69.07069	58.3
69.07413	5.9
70.27844	3.3
70.28197	10.1
71.04996	10.9
74.25313	2.8
79.05494	43.4
81.07059	100.0
82.07381	4.3
83.04994	9.0
83.08633	16.5
84.33247	2.9
84.65509	2.8
85.06549	3.9
91.05482	26.0
93.07050	51.3
95.05024	3.2
95.08607	95.4
97.06518	18.5
97.10184	14.3
104.24710	3.6
105.07030	25.9
107.08590	36.8
107.62090	3.2
109.06516	6.8
109.10172	40.7
111.08104	7.9
117.07032	4.3
119.08584	31.2
121.06529	4.1
121.10147	56.3
122.71820	3.4
123.08093	6.1
123.11707	20.5
125.09665	4.6
131.08600	13.6
133.10126	30.7
135.08096	4.5
135.11694	22.9
137.13301	4.0
139.07593	3.6
139.11174	26.7
143.08591	4.0
145.10144	21.4
147.11714	18.9
149.09637	6.5
149.13286	9.9
151.11227	7.1
157.10126	3.7
157.12236	4.5
159.11720	12.2
161.13307	13.4
163.14893	5.8
165.12849	4.8
171.11810	3.3
173.13191	17.6
175.11223	4.1
175.14870	10.0
177.16469	4.0
179.14323	5.7
187.14850	8.0
189.16423	6.5
191.17966	4.7
243.21123	10.5
251.16762	3.7
261.22150	30.0
279.23209	83.0
280.23645	4.9
297.24298	26.0
308.68710	3.2
399.32672	16.5
417.33597	28.0
435.34729	23.2
453.35669	17.3
471.35535	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	472.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05004	1.4
60.60123	1.2
69.03442	5.7
70.06622	1.1
70.17471	4.4
71.04995	2.1
71.79207	1.1
76.56593	0.9
79.01856	3.9
81.03413	10.7
81.03771	1.1
85.02894	10.5
93.07081	2.0
97.02896	6.9
99.04471	2.5
107.01325	1.5
109.02889	8.6
113.09604	1.3
123.04439	4.2
125.02386	3.2
127.03899	8.2
129.05458	2.0
131.10692	3.6
136.06239	1.2
137.05998	1.8
139.03908	5.0
143.03441	5.1
145.04996	3.5
147.04427	1.6
153.01823	100.0
154.02161	2.7
161.06013	1.2
163.03914	1.4
171.02904	14.0
231.06587	2.3
249.07491	1.5
295.23227	1.3
297.06012	11.6
310.13022	1.7
315.07031	8.2
472.18082	4.1
473.23950	12.3
482.88144	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	0.6
55.05505	4.4
57.03435	7.0
57.07048	1.1
58.06596	28.8
59.04980	0.4
59.07376	9.9
60.08159	9.5
67.05501	4.5
69.07060	4.1
69.63960	2.2
71.04951	0.6
73.02892	1.1
75.04466	4.5
77.22533	0.5
79.05467	2.4
79.51681	0.4
80.27965	0.5
81.03565	0.7
81.07052	5.8
82.07330	0.6
83.04964	1.6
83.08618	3.0
83.45634	0.5
85.02868	2.2
85.13242	0.5
87.04030	0.4
87.04463	4.5
91.05460	1.4
93.07024	4.2
95.04981	0.6
95.08591	5.6
96.08932	0.9
97.06503	1.4
97.10149	0.6
98.23241	1.0
99.08057	0.5
103.03904	1.4
103.77811	0.4
105.05490	1.0
105.07030	3.3
106.07334	1.0
107.08593	4.4
108.08895	1.6
109.10142	3.0
110.10420	0.7
111.08057	0.6
113.05982	0.6
119.08546	3.8
120.08849	1.3
121.10148	4.1
122.10440	1.1
123.08022	0.5
123.11687	1.4
125.09588	0.5
131.07007	1.8
131.08545	0.7
133.10091	2.3
134.10448	1.1
135.11661	2.7
136.11945	1.0
137.13245	0.7
139.11200	0.7
144.09058	0.7
144.10187	8.5
145.10124	1.3
146.10419	0.5
147.11676	1.7
148.11974	0.9
149.13208	0.8
150.13487	0.6
155.08543	0.6
157.10100	1.3
158.10413	0.7
159.11674	1.0
161.09573	0.6
161.13232	1.3
162.10017	0.7
162.11221	3.7
163.14835	0.5
171.11641	0.8
173.13229	1.2
174.13611	0.7
175.14764	2.1
175.16136	0.5
176.15132	2.3
177.16389	0.5
183.11748	0.6
186.13547	0.5
187.14732	0.9
188.15147	1.1
189.16389	4.2
190.16724	4.0
197.13231	1.1
199.14716	0.8
201.16261	0.7
207.17436	0.8
213.16460	0.6
215.14296	0.6
217.15854	1.9
218.13980	0.5
218.16177	1.8
227.17741	0.6
235.16948	1.4
236.14906	100.0
237.15282	2.9
251.58556	0.6
254.19795	1.0
271.20560	1.3
272.20889	1.7
390.32486	0.6
408.33405	1.5
410.35767	0.5
426.34555	4.6
436.32889	0.5
454.35251	24.5
455.35535	1.9
472.35803	96.9
473.36530	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	472.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	3.2
55.01892	4.4
55.05516	20.6
57.07072	12.7
64.66183	2.7
67.05505	73.2
69.03442	2.5
69.07067	27.0
69.61283	4.6
69.61691	10.5
71.05003	5.1
76.97350	2.6
79.05501	26.3
81.07058	100.0
82.07417	2.6
82.48261	2.7
83.08627	12.7
85.06546	9.3
85.10139	3.1
87.04425	2.6
91.05470	19.1
93.07040	39.8
95.05003	3.6
95.08607	77.3
96.08971	3.9
97.06535	8.4
97.10188	11.1
105.07034	26.6
107.08593	28.9
109.06510	3.8
109.10152	41.4
111.08070	3.3
111.11744	3.9
117.07023	5.4
119.08566	23.8
120.08907	3.1
121.06557	4.6
121.10151	30.3
123.08061	6.3
123.11715	19.5
124.12103	3.4
125.09612	4.7
127.11237	4.0
131.08554	10.8
133.06433	3.0
133.10107	13.8
134.10420	3.9
135.08081	6.2
135.11688	15.3
137.09637	8.7
137.13254	7.6
139.11209	6.6
141.12779	3.3
143.08539	4.3
145.10147	15.6
146.10429	2.9
147.11691	11.9
149.09573	4.0
149.13295	10.8
151.07588	2.8
151.11255	3.0
153.09142	3.3
157.10164	3.8
159.11693	6.8
161.13292	14.3
163.14888	8.6
165.12715	5.4
171.11745	3.1
173.11800	8.8
173.13269	8.3
175.14870	8.0
177.16373	5.8
179.14375	3.6
185.13470	3.8
187.14851	5.4
189.16386	8.3
191.14305	3.2
201.16490	4.9
207.17538	6.9
235.09586	3.3
237.15009	6.2
243.21118	8.8
251.16414	4.9
261.22116	17.7
263.13113	2.7
271.13193	3.0
275.20129	6.4
277.14407	4.3
279.23199	37.4
285.14893	4.7
293.21173	6.6
297.24387	4.0
303.15909	5.5
341.17288	2.8
401.19507	6.6
401.34100	3.1
419.35315	3.4
426.34637	3.7
454.33594	3.5
455.35147	8.6
472.24060	3.0
472.35159	13.6
473.25290	6.4
473.34802	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01584	0.2
69.03433	0.4
69.93813	0.7
79.05499	0.3
81.03416	0.4
81.07075	0.3
83.04963	0.2
83.10531	0.2
85.02895	0.5
91.05489	0.4
93.07025	1.1
97.02906	0.3
102.89888	0.2
105.07031	0.3
107.08572	0.2
109.02901	0.4
109.06487	0.2
111.04461	0.3
119.08579	0.5
120.08900	0.2
121.10159	0.8
121.71870	0.2
127.03873	0.5
137.06020	0.3
138.46396	0.2
139.03906	0.2
146.73938	0.2
149.09665	0.5
213.42203	0.2
289.09100	0.7
293.14096	0.3
293.17175	1.9
311.18259	8.3
312.18915	0.4
315.06586	0.2
353.19482	0.6
369.19034	0.4
427.80621	0.2
473.23636	100.0
474.23965	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	473.2356
Annotation	Tyr Lys Tyr
Peak:m/z	Relative Intensity
55.05519	0.4
67.01650	0.3
67.05522	0.4
69.03424	0.4
71.32533	0.6
81.03423	0.4
81.07065	0.5
85.02945	1.0
85.06528	0.5
91.05536	0.4
93.07046	0.6
95.08618	1.0
96.72341	0.4
97.02864	0.3
100.11308	0.4
105.07071	0.5
109.02887	0.4
113.40448	0.3
121.10165	0.5
127.03929	0.7
133.10146	0.3
137.06029	0.6
139.03943	0.7
139.89034	0.3
149.09526	0.4
151.03893	0.4
158.45432	0.3
165.09200	0.7
167.07053	0.6
185.10503	0.3
255.79236	0.3
293.17166	0.6
311.18246	9.0
311.21539	0.6
353.19467	0.9
358.48636	0.4
473.23682	100.0
474.24023	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	473.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.0
55.01869	3.8
55.05513	18.4
56.96550	5.1
57.07076	3.0
62.03069	2.3
67.05502	29.5
69.06158	3.6
69.06557	16.5
69.07083	15.3
71.04974	5.6
79.05060	2.3
79.05496	36.0
81.03426	1.9
81.07056	45.9
83.04963	4.4
83.08624	15.5
85.06535	6.3
91.05475	27.4
93.07044	53.1
95.04961	6.3
95.08023	3.8
95.08604	50.9
96.08926	2.4
97.06514	8.1
97.10166	9.6
99.08069	4.4
103.05494	2.2
105.07024	38.5
107.04893	2.9
107.08592	47.1
109.06512	2.8
109.09434	2.2
109.10156	33.9
111.08049	5.6
113.09657	3.1
117.07001	8.5
119.08583	45.9
121.06496	4.3
121.10139	56.7
123.08059	9.8
123.11697	10.1
125.09611	7.4
127.11191	14.5
128.06088	2.2
129.06973	4.7
131.08574	20.3
133.10124	37.5
135.07048	2.1
135.08029	10.5
135.11679	27.7
137.05936	2.5
137.09593	13.8
139.07539	3.3
139.11160	3.4
142.07771	2.0
143.08534	8.3
145.10127	19.4
147.08020	5.9
147.11694	21.0
149.09564	6.4
149.13290	10.2
151.11172	3.7
153.09091	8.5
155.08531	2.8
155.10597	2.1
157.10092	10.2
159.08090	2.4
159.11678	16.7
161.09602	4.1
161.13261	10.1
163.11153	7.1
163.14832	11.0
165.12715	2.7
167.10684	4.9
168.09538	2.1
169.10117	5.0
171.11656	8.8
173.13214	14.4
175.11150	4.6
175.14781	16.7
177.12764	3.6
177.16399	4.8
179.14255	3.5
183.11650	4.8
185.13235	6.7
187.14832	12.4
189.11212	9.7
189.12740	5.4
189.16364	26.2
191.14285	3.5
191.17865	5.6
195.11647	2.9
197.13205	2.6
199.14821	7.5
201.12686	8.7
201.16306	4.7
203.14195	4.6
203.17943	5.7
205.15800	3.1
207.17424	11.5
211.14784	5.4
213.16380	9.2
215.14322	3.6
217.15857	5.6
219.13895	3.9
225.16344	3.3
227.17874	3.5
229.15994	4.2
231.17409	5.0
233.15332	2.9
235.16980	5.4
237.16461	2.5
239.17899	4.8
247.16945	3.0
249.18510	100.0
250.18715	3.1
253.03816	6.2
255.17429	2.6
257.18875	4.3
267.19534	21.0
275.20102	15.7
280.77850	2.4
293.21121	10.1
333.41745	2.2
381.73563	2.1
391.29898	7.2
409.30652	6.2
419.29376	4.1
427.31833	8.8
428.32681	3.1
437.30283	22.3
443.31458	4.1
455.31204	27.1
460.53317	2.2
473.32401	74.2
474.32788	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	473.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.9
55.01865	3.9
55.05511	22.8
57.03435	2.5
57.07061	6.8
59.05016	2.5
60.66490	1.9
64.47240	1.8
65.03930	4.3
67.05502	38.5
69.03424	5.3
69.07072	37.1
69.91477	6.0
69.91895	3.8
71.04973	7.3
79.05486	36.8
81.03411	9.7
81.07050	70.8
83.04977	4.7
83.08613	12.7
85.02889	4.9
85.06541	18.1
91.05473	41.3
93.07038	68.8
95.04985	11.2
95.08604	98.3
96.08935	3.7
97.02888	3.0
97.06519	5.3
97.10168	8.4
99.08096	2.2
100.11240	5.6
103.05470	5.6
105.07029	56.7
107.04904	2.5
107.08593	100.0
108.08894	2.3
109.02877	5.8
109.06505	8.6
109.10150	53.7
111.04465	4.7
111.08083	7.9
111.11742	4.1
115.05447	6.2
117.07014	20.1
119.04913	2.3
119.07734	4.5
119.08572	71.4
120.08902	2.4
121.06496	4.8
121.10141	79.8
122.10570	2.1
123.08071	11.5
123.11688	24.6
125.09645	5.5
127.03952	3.9
127.11203	3.2
128.06207	5.0
129.06995	16.3
131.04903	3.6
131.08563	42.6
133.06450	2.4
133.10130	49.7
135.04463	3.1
135.08067	6.3
135.11691	46.5
137.05983	11.1
137.09602	8.3
137.13251	14.1
139.11188	4.0
141.06943	8.0
142.07777	3.9
143.08537	18.7
145.06401	2.9
145.10118	50.2
147.08070	4.4
147.11678	42.9
149.05956	4.2
149.09622	9.4
149.13245	24.0
151.03896	2.9
151.07544	5.1
151.11162	3.3
151.14796	3.6
154.12254	2.9
155.08524	15.9
156.09354	5.3
157.10130	29.0
158.07283	2.2
159.08038	2.4
159.11691	46.0
160.12108	2.8
161.05962	3.9
161.09618	9.9
161.13246	34.7
163.07567	5.9
163.11174	33.6
163.14824	40.1
165.09129	10.7
165.12753	13.6
167.08559	4.6
167.10715	3.2
168.09271	2.6
169.06516	3.2
169.10124	15.4
171.11673	27.9
173.09583	7.2
173.13251	32.4
175.07556	4.7
175.11168	8.9
175.14819	27.3
177.09085	2.3
177.12744	4.9
177.16373	16.2
179.07094	2.3
179.08623	3.4
179.10533	2.8
179.14333	26.1
181.10088	7.8
181.12224	7.0
182.10857	2.9
182.15422	2.2
183.11690	26.4
185.09656	2.4
185.13261	24.9
187.07489	6.3
187.11162	6.6
187.14830	26.7
188.06995	2.4
189.09135	4.0
189.12718	8.2
189.16389	21.9
191.10666	2.5
191.14308	9.0
191.17952	23.3
193.10234	2.1
193.12335	2.8
193.15851	5.8
194.10809	2.0
195.10115	2.6
195.11685	8.0
196.12245	2.2
197.13254	15.5
199.11217	6.0
199.14812	16.8
201.09125	3.4
201.12804	18.1
201.16350	20.6
203.10651	2.6
203.14343	4.6
203.17923	7.9
205.12195	5.5
205.15860	6.4
207.09958	2.6
207.11752	3.4
207.17438	4.7
209.11703	33.1
209.13329	7.9
211.11295	2.4
211.14830	17.5
212.15388	2.9
213.12781	5.1
213.16351	11.5
215.14345	13.8
215.17854	12.9
217.12233	4.7
217.15869	5.1
217.19511	2.7
219.11783	2.7
219.13753	4.1
221.11562	2.9
221.13379	3.9
223.14784	8.1
225.16208	9.4
227.14296	5.4
227.17921	11.2
229.12234	6.3
229.15955	12.9
229.19453	9.1
231.13811	3.3
231.17404	3.4
235.14871	3.6
237.16528	13.8
239.14214	6.7
239.17862	6.7
241.12074	3.2
241.15820	7.1
243.13901	3.9
243.17505	7.2
245.15410	3.4
247.13293	6.6
247.20509	3.5
249.16461	3.3
251.17915	11.0
253.15843	4.6
253.19514	4.2
255.13744	2.6
255.17424	8.5
257.15405	4.6
259.13132	3.3
259.17078	3.3
261.14816	11.0
263.17877	4.2
265.19568	4.6
267.17450	4.9
267.20950	2.3
269.15521	2.4
269.18979	4.5
271.16855	7.0
271.20715	3.9
275.16519	7.3
283.13632	4.2
283.16916	14.2
283.19904	3.2
285.14917	3.2
285.18439	3.9
286.15302	2.1
289.18002	6.4
297.18454	6.6
299.16431	3.9
301.18002	10.6
309.11133	2.8
309.18564	2.7
311.09076	3.8
311.12463	2.7
313.17960	3.2
315.19623	4.0
329.17276	2.6
341.20993	3.1
349.28946	3.2
373.28915	13.6
381.24139	2.3
381.31427	3.6
391.29926	33.0
392.29892	3.2
397.31128	2.4
407.29980	2.3
409.31015	19.6
419.29471	23.3
425.30487	6.5
427.32407	13.0
437.30490	97.7
438.30850	8.4
455.31540	37.9
473.19226	8.0
473.32471	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	473.3262
Annotation	Comnostin D
Peak:m/z	Relative Intensity
55.01862	0.9
55.05507	4.3
55.25587	0.4
57.03447	0.7
57.07071	1.1
63.82276	0.4
65.03928	0.5
67.05500	8.5
69.03434	0.8
69.07062	5.9
69.52534	2.7
71.04989	1.0
77.03915	0.7
79.05489	6.2
81.07050	14.2
81.07504	0.9
81.12035	0.4
81.51939	0.4
83.04987	1.4
83.08627	3.4
85.06544	4.2
91.05473	9.2
92.75701	0.4
93.06107	0.5
93.07037	13.6
95.04967	1.8
95.08602	17.6
97.06516	2.1
97.09117	0.4
97.10183	1.6
103.05463	1.7
105.07025	19.5
106.07388	0.5
107.04977	1.1
107.08588	20.2
109.06516	2.4
109.10153	11.7
110.10490	0.6
111.08076	2.9
112.47060	0.4
113.09653	0.8
115.05428	0.7
117.07018	3.8
119.04968	0.6
119.06128	0.4
119.08577	20.0
119.09434	1.0
120.08928	0.7
121.06489	1.5
121.10139	12.4
121.10995	0.8
122.10474	0.6
123.08053	1.9
123.11700	6.2
123.12530	0.6
125.06014	1.0
125.09644	1.1
127.11202	1.4
128.06201	1.0
129.06984	2.1
131.08551	8.8
131.09457	0.7
133.06415	1.0
133.10123	20.1
134.10432	0.7
135.08070	1.8
135.11687	20.7
136.12053	0.6
137.05969	4.8
137.09578	1.9
137.13257	1.9
139.07530	0.7
139.11182	0.7
141.07004	1.0
142.07759	0.9
143.08563	4.6
144.09343	0.9
145.06483	1.4
145.10100	11.8
145.11214	0.6
147.08064	1.6
147.11670	12.5
149.06027	1.7
149.09642	1.9
149.13222	5.3
151.07567	2.3
151.11125	2.3
153.09018	0.9
153.12752	0.9
155.08528	2.0
156.09338	1.4
157.06483	0.7
157.10124	5.9
159.08116	1.0
159.11681	13.4
160.12160	0.8
161.05971	0.6
161.09616	3.2
161.13234	8.4
162.13631	0.6
163.07471	0.8
163.11172	11.0
163.14793	4.9
165.12772	0.7
167.08578	0.7
167.10674	0.7
168.09421	0.8
169.10144	3.5
170.10838	0.4
171.11676	7.2
172.12320	0.5
173.09622	1.7
173.13255	6.9
175.07584	1.0
175.11200	2.0
175.14821	4.0
177.12729	2.8
177.16391	2.3
179.08478	0.4
179.14313	0.8
181.10126	1.9
182.10930	0.7
183.11673	4.2
184.12373	0.6
185.09651	1.0
185.13235	7.1
187.11166	12.9
187.14815	5.5
189.12759	6.3
189.16365	20.0
190.16777	1.0
191.14415	1.2
191.17958	2.0
195.11748	2.3
197.09650	0.6
197.13231	3.5
198.13803	0.5
199.11131	1.0
199.14854	3.7
201.09164	1.0
201.12740	4.2
201.16394	5.1
202.52805	0.4
203.10750	0.6
203.14278	3.1
203.17934	5.0
205.12234	9.5
205.15910	0.7
207.11784	0.5
207.17432	16.2
208.17830	0.6
209.13348	1.4
211.14804	3.0
213.12766	1.3
213.16374	4.0
215.10756	0.7
215.14328	3.8
215.17833	2.0
217.12309	0.8
219.13844	1.0
221.09741	0.5
221.19003	0.8
223.14973	0.7
225.08978	0.5
225.16420	1.5
227.14435	1.0
227.17929	2.4
229.12274	0.6
229.15788	2.0
229.19473	0.6
231.13884	1.1
231.17461	0.7
233.11688	2.8
233.15268	0.6
235.13011	0.5
237.16438	2.6
239.18022	1.5
241.15898	1.0
241.19516	1.0
243.17412	0.9
249.09137	0.7
251.18077	1.2
253.15962	0.6
253.19513	0.6
255.17403	3.6
257.19025	2.0
265.19629	0.9
267.21231	0.5
269.19107	1.5
271.20340	0.6
277.08859	0.5
277.21753	0.7
281.11609	0.5
283.20319	0.6
301.18011	1.7
309.11169	1.0
315.19492	0.7
349.14471	1.1
349.29071	0.7
367.30048	0.9
373.28989	1.5
379.26294	0.6
381.24030	0.5
385.31070	1.4
391.30023	3.7
392.30133	0.5
393.31573	0.9
409.30969	11.5
410.31290	0.9
419.29492	1.9
427.32095	23.4
428.32501	2.0
437.30457	9.1
438.30789	1.0
455.31509	17.4
456.31799	1.7
473.19455	3.6
473.32617	100.0
474.32968	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	473.3262
Annotation	Comnostin D
Peak:m/z	Relative Intensity
51.03127	0.5
52.61495	0.5
53.03942	0.8
55.01869	1.1
55.05505	5.0
57.07063	1.4
59.04996	0.8
63.76897	0.6
65.03921	0.6
67.05499	6.7
69.07055	6.4
69.09503	6.1
71.04980	1.5
71.08638	0.7
79.05494	7.1
81.07058	10.8
83.04974	1.9
83.08617	2.1
85.06538	1.5
91.05466	5.6
93.07042	9.6
95.04955	2.1
95.08597	14.2
96.08905	0.8
97.06516	2.3
97.10143	1.9
98.22524	1.1
99.04466	1.4
99.08102	1.4
101.06086	0.6
103.05453	1.0
105.07025	13.0
106.07301	0.7
107.08586	13.6
109.06523	2.0
109.10156	9.2
111.08073	2.3
117.07011	1.4
119.08575	12.0
120.08883	1.2
121.06490	1.3
121.10139	10.9
121.14138	0.5
123.08020	2.4
123.11685	3.0
125.09621	2.5
127.11169	1.5
129.06975	1.8
131.08546	6.8
133.06450	0.8
133.10120	6.4
135.08080	3.3
135.11678	5.6
137.09625	2.1
137.13232	1.6
139.11110	0.8
142.07777	1.7
143.08553	6.1
145.10118	9.4
146.10522	0.7
147.08023	1.8
147.11697	7.1
148.12030	0.7
149.09622	2.3
149.13272	3.2
151.07487	0.7
151.11186	1.0
153.09068	2.4
155.08521	1.4
156.09311	2.9
157.10126	4.2
158.10773	0.8
159.08049	1.7
159.11696	4.8
161.09624	2.0
161.13252	4.0
163.11162	3.4
163.14787	2.1
165.09138	0.8
165.12663	1.4
167.10664	1.5
168.09369	0.7
169.10120	1.7
171.11662	11.6
173.09625	1.5
173.13225	5.1
175.11174	1.3
175.14813	4.1
177.09067	0.8
177.12712	1.1
177.16357	1.0
179.08441	0.6
181.10059	1.2
181.12206	0.7
182.10927	1.1
183.11688	2.4
185.09637	1.1
185.13220	3.0
186.13477	0.7
187.14827	3.7
189.12761	4.1
189.16364	2.8
190.16675	1.0
191.14293	4.3
191.18007	1.2
195.11717	1.7
197.13269	1.6
199.11194	3.7
199.14801	2.3
201.12709	2.7
201.16357	2.6
202.09874	1.2
203.14285	3.6
203.17896	1.5
205.15891	1.4
207.11765	1.3
207.13756	1.2
207.17467	1.3
209.13289	1.5
211.11388	0.8
211.14880	1.3
213.12727	2.7
213.16383	1.4
215.14308	2.5
215.18008	0.8
217.12225	100.0
218.12556	5.3
219.11708	0.9
219.13835	0.7
223.15016	1.0
223.16840	3.2
225.12753	0.8
227.14261	1.9
229.15807	1.1
231.13812	2.4
233.15334	2.1
234.13971	2.3
235.13084	0.8
241.15851	1.8
244.14624	0.9
245.15404	1.6
247.16936	1.6
249.14798	1.6
249.18576	1.2
255.17407	0.8
267.17319	0.7
269.15237	0.9
269.18994	1.1
277.21420	1.5
281.18936	2.3
295.22638	1.4
299.19928	1.8
330.72211	0.6
391.30054	2.2
399.24902	0.9
401.28680	0.8
409.31116	2.6
419.29205	5.6
420.29391	1.5
437.30234	14.0
438.30811	2.1
445.83807	0.7
455.31335	27.8
456.31903	2.3
473.34576	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	473.3263
Annotation	Kuguacin Q
Peak:m/z	Relative Intensity
50.68256	2.3
52.74939	2.1
53.03958	2.7
55.01870	7.1
55.05506	13.3
57.03425	3.1
57.07072	8.0
59.05003	6.6
65.03949	2.1
67.05504	21.9
69.03432	6.7
69.07067	28.7
69.12437	15.1
71.04990	6.7
75.65401	2.0
77.03960	1.8
79.05492	21.4
81.07055	44.4
83.04982	8.8
83.08614	8.4
85.06546	7.0
87.04462	6.0
91.05468	19.0
93.07045	41.1
95.04963	4.3
95.08607	52.0
97.06536	59.5
97.10161	6.5
105.04476	2.0
105.07027	40.1
107.08598	42.3
109.06524	5.2
109.10152	23.3
111.08086	11.7
117.07013	7.2
119.08582	53.8
121.06506	8.5
121.10146	77.6
122.10435	2.4
123.08093	12.5
123.11716	14.5
125.06012	2.6
125.09660	11.1
129.07043	4.2
130.07718	2.1
131.08572	11.1
133.10141	26.9
135.08064	7.5
135.11691	23.2
137.09610	15.9
137.13306	3.7
139.07507	3.5
139.11176	37.2
143.08549	4.8
145.10152	17.6
147.11707	13.3
149.09604	14.3
149.13284	10.8
150.10397	7.7
151.11198	7.0
157.10162	4.9
159.08029	3.7
159.11711	14.1
161.09621	4.1
161.13260	36.6
163.11203	19.2
163.14830	5.1
165.09132	5.5
165.12746	8.1
167.10713	18.9
171.11691	4.8
173.13234	14.3
175.11166	5.0
175.14854	12.3
177.09111	9.7
177.12872	5.1
177.16391	71.7
178.16689	3.4
179.10707	3.1
179.14282	2.7
181.12244	6.7
185.11806	4.5
185.13329	3.1
187.14755	12.2
189.12749	5.2
189.16440	4.7
191.10646	11.0
191.14278	16.2
193.15955	4.6
195.10162	2.4
195.13792	4.2
197.13356	2.5
199.14899	3.7
201.12743	3.5
201.16492	14.8
205.15964	4.1
207.13876	2.7
209.15369	17.7
213.16365	3.4
217.12234	3.0
217.15871	4.2
219.10298	3.1
219.13847	16.6
227.10675	2.3
233.15300	9.4
235.13373	12.2
235.16846	2.3
237.14838	100.0
238.15211	4.4
243.10187	2.4
245.11717	4.6
245.15305	3.0
249.14861	7.5
251.16412	19.6
255.21138	4.6
261.14868	30.0
263.12756	3.2
263.13708	3.1
263.16434	21.1
271.16748	2.1
279.15903	69.6
280.16187	2.6
289.17981	21.3
307.19080	5.9
357.24158	8.6
365.91388	2.3
375.25424	2.3
419.28854	2.5
437.15598	4.1
437.30234	19.7
455.31229	25.5
456.31528	2.6
473.17670	2.3
473.33414	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	473.3624
Annotation	Jujubogenin
Peak:m/z	Relative Intensity
53.03944	5.6
55.01868	19.4
55.05501	24.1
57.07071	5.9
58.56973	3.0
59.04990	7.7
62.10490	2.8
65.03930	2.9
67.05500	22.7
69.03432	21.1
69.07070	15.3
70.59127	6.1
71.04988	25.8
73.06538	8.5
76.14875	2.6
79.05485	23.7
81.06615	5.0
81.07053	57.2
83.04980	6.5
83.08614	7.5
85.06535	6.3
91.05453	18.3
93.07040	45.6
95.04958	7.3
95.08607	55.0
97.06532	17.5
99.08113	29.1
105.07028	41.0
107.08595	70.6
109.06521	19.0
109.10157	53.6
110.10466	2.7
111.08086	26.7
117.07002	7.0
119.08573	79.0
119.09420	5.2
121.06514	5.1
121.10136	45.1
123.08080	16.2
123.11706	27.4
124.11964	3.1
125.09614	36.7
127.07550	21.8
127.11183	26.6
131.08557	17.1
133.10123	48.4
135.08072	14.5
135.11664	20.3
137.09631	9.0
137.13248	10.8
139.07527	15.4
139.11168	7.8
141.09096	5.5
143.08531	10.5
143.10677	5.1
145.10106	38.4
147.11687	49.9
149.09673	16.2
149.13275	12.2
151.11159	17.5
153.12746	10.5
155.10657	7.9
157.08978	3.0
157.10138	15.2
159.11691	44.6
161.09637	8.2
161.13249	16.8
161.48651	3.4
163.11163	48.9
163.14828	5.1
165.12755	100.0
169.10133	8.4
171.11699	11.6
173.13240	16.3
175.11174	11.4
175.14813	10.4
177.12737	5.3
177.16396	4.6
179.14395	4.1
183.11691	7.1
183.13812	43.7
184.12506	3.0
185.13258	9.7
187.14793	15.3
189.16405	10.4
191.14297	5.5
193.12257	5.7
193.15857	11.6
197.13289	6.6
199.14790	11.1
201.12778	2.8
201.16377	32.1
203.14256	21.0
205.15828	13.6
207.17435	4.1
211.14873	6.6
211.16765	4.5
213.16367	12.5
213.96918	2.7
215.17923	3.5
217.15906	5.3
219.00682	3.0
219.17465	9.6
221.15456	6.0
225.16336	5.1
227.17944	4.1
229.15820	4.3
231.17441	16.2
241.19487	3.3
243.17401	8.4
245.19046	4.3
249.18501	67.2
255.21021	4.1
265.19495	3.7
267.21094	11.3
269.19061	6.7
271.20679	4.2
273.22058	4.6
285.22125	29.1
303.23062	24.7
327.23105	6.7
339.26709	3.6
345.24121	5.1
351.26886	7.4
357.27750	7.7
369.27963	5.2
419.33170	19.6
437.34097	64.0
438.34567	7.2
455.35187	83.0
456.35434	8.3
473.36307	25.9
474.36664	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	473.3626
Annotation	Jujubogenin
Peak:m/z	Relative Intensity
53.03930	3.9
55.01868	13.9
55.05507	16.2
57.03436	2.9
57.07058	5.2
59.04996	5.1
67.05495	24.0
69.03422	21.6
69.07055	23.3
69.27482	4.3
69.27881	12.9
71.04987	23.2
73.06540	6.9
73.60538	2.0
79.05083	2.6
79.05493	21.0
81.07052	56.5
82.07394	2.1
83.04964	6.1
83.08612	8.4
85.06527	7.2
91.05473	17.3
93.07038	47.7
93.35829	2.2
95.04965	5.1
95.08600	52.2
95.09202	2.5
96.08910	2.0
97.06523	17.4
97.10164	3.4
99.04464	3.4
99.08091	23.3
101.05987	3.7
105.07019	40.5
107.08585	66.8
109.06511	19.5
109.10150	56.0
111.08072	23.0
111.11703	2.6
113.09647	2.9
117.07020	7.2
119.08575	79.7
121.06509	4.7
121.10137	38.9
123.08059	14.3
123.11702	24.1
125.09628	28.6
125.99364	1.6
127.07538	20.8
127.11178	20.6
129.07010	2.6
131.08557	14.6
132.60220	1.8
133.10112	46.6
134.10472	1.9
135.08038	16.2
135.11690	19.4
137.09592	8.7
137.13200	8.8
139.07533	13.8
139.11159	8.4
140.62891	1.7
141.09097	3.9
142.40524	1.8
143.08553	7.4
144.09274	2.1
145.10107	39.4
146.10356	1.8
147.08102	2.2
147.11670	42.3
148.11980	3.1
149.09583	21.3
149.13229	8.6
151.11166	16.9
153.12753	10.5
155.08490	2.3
155.10628	5.1
156.09357	2.2
157.10152	15.0
158.10933	3.0
159.11682	41.8
160.12083	3.3
161.09599	7.8
161.13243	16.6
163.11174	46.2
163.14806	7.5
165.09094	2.9
165.12744	100.0
166.13113	3.0
169.10083	5.9
170.10858	2.9
171.11671	10.8
173.09572	2.5
173.13258	17.0
175.11160	12.8
175.14783	12.2
177.05377	2.8
177.12740	6.6
177.16357	3.9
179.10626	3.1
179.14281	3.8
181.12263	2.1
183.11726	5.6
183.13792	40.3
185.13242	11.1
187.11153	3.3
187.14822	17.9
189.12746	4.0
189.16388	11.6
191.14226	4.4
193.12257	5.2
193.15941	8.7
195.11790	2.7
197.13210	5.2
199.14812	11.2
201.16354	30.0
203.14290	16.2
203.17918	3.1
204.49321	2.0
205.15903	11.8
207.17410	6.2
209.13206	5.1
209.15143	3.3
211.14806	9.2
211.16858	4.6
213.16371	14.6
215.18050	2.7
217.15831	3.0
219.17506	9.5
225.16350	4.0
227.17914	4.7
229.15862	3.3
231.17357	14.3
235.16811	3.3
237.18457	3.9
240.14865	2.2
243.17480	4.6
243.21001	4.3
243.86925	2.1
245.19032	2.2
249.18509	57.1
250.18784	2.7
255.20998	2.7
265.19513	3.0
267.21176	10.7
269.18985	3.2
273.22015	2.4
283.20435	2.0
285.22064	26.2
286.22665	2.0
295.20227	2.1
303.23148	27.1
309.22156	5.1
325.25095	2.1
327.23154	7.5
329.28226	2.5
345.24280	5.7
351.26901	5.8
357.27716	6.3
363.26761	4.1
369.27765	6.4
395.33096	3.3
413.34271	3.3
419.33008	17.4
437.34122	55.4
438.34378	6.6
455.35187	83.4
456.35440	8.3
457.33478	3.1
473.36603	29.4
485.67203	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	473.3623
Annotation	Jujubogenin
Peak:m/z	Relative Intensity
50.16640	0.8
53.03927	1.2
55.01873	3.4
55.05516	3.9
55.88601	0.9
57.07073	2.8
59.05012	1.0
63.15553	1.0
65.03940	1.1
66.33772	0.9
67.05502	7.3
69.03423	5.1
69.07052	5.8
71.04992	9.4
73.06557	3.3
79.05474	6.3
81.07051	15.3
83.04966	2.2
83.08635	3.3
85.06551	2.3
91.05465	9.7
93.07046	13.8
95.04982	3.2
95.08602	13.9
97.06529	5.8
99.08089	8.1
105.07015	13.7
106.07815	2.0
107.08591	22.5
109.06509	4.6
109.10150	15.7
111.08070	7.7
117.07042	2.2
118.89968	0.9
119.08575	21.4
121.06574	1.0
121.10132	13.6
123.08067	4.5
123.11691	9.3
125.09635	8.8
126.09974	1.0
127.07562	6.2
127.11192	7.1
129.07005	1.1
131.08569	3.1
133.06483	1.0
133.10123	13.9
134.07248	7.5
135.08041	100.0
135.11607	6.1
136.08376	3.2
137.09642	2.6
137.13286	2.8
139.07564	4.3
139.11183	2.8
141.09117	1.6
143.08580	2.0
145.10106	9.6
147.11673	12.6
149.09592	4.9
149.13246	1.6
151.11183	5.9
153.12762	3.9
157.10127	5.8
159.11682	12.5
161.09634	2.3
161.13297	6.4
163.11186	15.1
163.12427	1.8
163.14819	1.1
165.12743	31.4
166.13135	1.4
169.10107	1.8
170.89093	0.9
171.11711	3.4
173.13211	4.4
175.11174	3.4
175.14833	3.4
177.12718	2.8
177.16443	1.4
183.11748	1.7
183.13799	14.9
184.25859	0.9
185.13293	3.7
187.14842	4.3
189.12733	2.0
189.16386	2.3
191.14313	1.3
193.15906	2.6
197.13258	1.7
199.14836	3.9
201.16364	10.0
202.16769	1.3
203.14314	6.0
205.15840	5.2
207.17400	2.3
211.14896	1.8
211.16978	1.1
213.16396	4.1
217.15866	1.5
219.17480	1.6
225.16319	1.1
227.17860	1.7
229.15823	2.1
231.17404	4.6
237.18517	1.5
239.17863	1.0
243.17453	2.8
249.18497	20.6
250.97575	1.0
267.21045	3.6
269.19144	1.7
283.20966	1.3
285.22043	7.7
285.24567	0.9
295.17255	3.6
303.23221	7.2
325.25293	1.4
327.23032	2.0
345.24222	2.3
351.26688	2.3
369.27908	2.1
387.28690	1.0
419.32999	6.5
420.33896	1.4
422.88828	1.3
437.34042	15.3
438.34714	1.7
455.29129	1.8
455.35223	25.7
456.35492	2.5
473.36298	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	473.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	16.0
57.07076	8.7
67.05500	15.5
69.07061	22.9
71.04989	7.5
79.05492	17.8
81.07059	49.2
83.08606	11.1
85.06544	42.9
91.05479	19.6
93.07051	44.2
95.08616	51.0
97.06554	8.0
97.10173	6.8
105.07024	35.0
107.08584	65.0
109.06527	8.3
109.10167	34.8
111.08099	7.6
117.07098	6.5
119.08585	52.1
121.06482	6.7
121.10150	74.5
123.08067	11.6
123.11723	40.0
125.09629	5.0
131.08601	15.9
133.10130	42.3
135.11702	43.0
137.13284	11.7
142.69176	4.8
143.08574	10.7
145.10101	32.2
147.11707	28.8
149.09628	8.1
149.13281	34.5
151.14844	5.3
155.03418	5.1
157.10109	9.7
159.11699	20.3
161.13255	31.1
163.11160	9.7
163.14809	26.3
165.12674	6.4
167.10593	6.6
171.11736	8.7
173.13287	14.9
175.14806	24.4
177.16515	7.6
181.12274	11.0
185.13272	8.1
187.14806	14.1
189.12723	5.3
189.16394	25.8
191.14337	11.6
193.15906	13.2
195.13792	14.2
199.14799	8.7
201.16443	16.2
203.14233	7.2
203.18047	10.2
205.15938	9.1
207.17516	5.5
212.58177	4.3
213.16336	8.4
215.18076	6.7
217.15825	5.6
223.16843	9.7
229.16051	7.7
229.19554	8.9
231.17473	20.3
235.17026	19.5
241.19420	6.4
243.20995	6.4
355.29965	17.4
371.33090	10.8
381.31403	13.1
389.16028	18.3
395.32971	6.3
399.32596	100.0
400.32935	10.2
405.31433	9.3
412.26044	6.2
423.32718	25.6
437.33932	9.0
455.35059	23.6
473.36557	42.9
483.51108	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	473.3626
Annotation	Jujubogenin
Peak:m/z	Relative Intensity
51.90696	1.6
52.59196	2.1
53.03936	2.0
55.01861	2.5
55.05506	8.5
57.07057	5.2
59.05027	2.4
67.05508	15.2
69.03422	3.8
69.07080	14.2
69.28448	8.7
69.28855	2.4
71.04996	12.1
79.05499	14.8
81.06622	2.2
81.07053	27.9
83.04977	3.4
83.08611	6.3
85.06544	4.2
91.05476	12.9
93.07043	27.5
95.04951	3.9
95.08604	33.9
97.06520	6.6
97.10155	3.9
99.08080	5.9
103.05466	2.0
105.07021	26.1
107.08591	37.8
109.06512	5.6
109.10161	25.2
110.10515	1.9
111.08083	4.9
113.09624	2.4
114.94991	2.0
117.07047	3.2
119.08571	30.3
120.08935	1.9
121.06515	3.8
121.10139	36.4
122.10412	1.6
123.08047	7.9
123.11694	11.6
125.09641	10.2
127.11195	5.6
129.06999	4.1
131.08565	14.4
133.10115	29.0
135.08080	8.7
135.11674	17.5
137.05971	3.5
137.09605	6.3
137.13269	3.7
139.11165	2.5
142.07809	2.7
143.08545	7.0
143.10765	1.7
144.09302	2.0
145.10126	25.5
147.08037	4.6
147.11676	16.6
149.09630	9.5
149.13255	9.7
151.07571	2.3
151.11157	6.0
153.09096	1.8
155.08531	3.3
155.10732	1.6
157.10150	7.4
158.10843	1.8
159.11694	15.7
161.09616	5.3
161.13307	11.9
163.07448	1.9
163.11166	6.9
163.14871	4.0
165.12784	5.4
169.10101	3.9
171.11691	4.8
173.13216	10.0
175.11185	6.6
175.14859	12.4
177.12756	5.6
177.16397	8.1
179.10634	2.8
183.11717	6.3
185.13257	6.6
187.11186	3.2
187.14857	9.1
189.12750	5.7
189.16402	9.6
191.14285	4.1
193.15868	7.1
197.13263	3.3
199.11176	2.4
199.14835	7.1
201.12782	2.7
201.16339	10.9
203.14333	6.1
203.17937	3.2
205.15887	4.6
207.17513	3.4
209.13321	2.4
211.14798	3.8
213.16322	3.7
215.14293	2.8
215.17935	3.2
217.12256	3.2
217.15865	5.0
219.13708	3.4
219.17374	4.3
219.42053	1.9
225.16296	2.7
229.15839	2.2
231.17429	5.3
233.15297	2.3
235.16907	2.3
237.18558	1.9
239.17993	2.5
249.18375	4.2
285.22107	2.4
409.31079	2.2
413.30408	3.1
419.33307	4.5
427.32346	3.2
437.34610	20.3
438.34763	2.5
455.35425	100.0
456.35806	12.1
473.31693	15.3
473.36917	3.7
474.32669	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3624
Annotation	3alpha,27-Dihydroxy-28,20beta-taraxastanolide
Peak:m/z	Relative Intensity
55.05512	5.1
57.07064	1.6
59.05002	2.4
67.05504	8.7
67.89715	1.3
69.03452	1.6
69.07071	10.5
69.51173	1.2
71.08605	1.2
79.05109	1.5
79.05470	6.3
81.07056	17.3
82.52598	1.2
83.04976	2.2
83.08627	4.3
85.06525	2.5
86.30877	1.2
91.05492	5.3
92.98380	1.7
93.07038	15.0
95.08610	27.5
97.06528	2.0
97.10174	2.1
98.23343	2.8
99.08112	1.7
105.07024	13.5
107.08602	22.6
109.06508	3.8
109.10146	16.3
111.08115	2.0
117.07042	2.5
119.08569	22.8
120.30798	1.3
121.06477	2.3
121.10139	21.2
122.10435	1.8
123.08077	4.5
123.11699	6.9
129.07016	2.4
131.08556	7.4
133.10135	16.4
135.08109	2.8
135.11691	19.1
137.09621	1.7
137.13257	4.1
143.08566	4.8
145.10121	9.9
147.11670	13.4
149.09639	1.8
149.13272	10.7
151.11227	2.1
153.09126	2.4
157.10194	5.2
159.11713	8.8
161.13292	8.2
163.14796	8.8
165.12756	1.7
169.10165	1.6
171.11696	3.6
173.13281	7.3
175.11278	1.7
175.14816	10.6
177.12758	2.6
177.16360	6.8
179.14391	1.4
183.11694	2.8
185.13306	4.5
187.14839	13.1
189.12746	2.4
189.16371	23.1
191.14343	5.2
191.17886	4.0
199.14824	4.2
200.56064	1.3
201.16365	7.0
202.78532	1.4
203.14417	2.5
203.18001	1.6
205.15869	28.6
207.17448	19.8
209.15421	2.6
211.14836	1.4
213.16426	4.5
215.18051	4.5
217.15977	3.5
219.17477	3.8
227.18019	2.8
229.19542	3.3
233.15433	1.6
241.19603	1.8
255.21248	2.5
269.22516	1.5
367.29645	1.6
391.33957	1.5
409.30911	4.6
409.35165	3.8
427.35846	100.0
428.36197	10.1
437.30313	11.1
445.35233	3.2
455.31329	5.6
473.21957	2.4
473.32840	46.3
474.33542	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3627
Annotation	Odoratone
Peak:m/z	Relative Intensity
50.17731	4.5
52.59204	3.9
53.03931	7.9
55.01873	11.7
55.05515	25.4
57.07059	9.4
59.04986	4.4
67.05501	43.4
69.03416	17.4
69.07066	45.2
69.16649	17.4
69.17077	13.6
71.05006	20.2
71.08624	4.9
79.05486	35.3
79.06748	3.5
81.06570	3.9
81.07053	79.0
83.04978	15.6
83.08608	18.4
85.06538	13.8
90.50051	3.5
91.05475	38.2
93.07033	69.2
94.95861	3.8
95.04962	13.4
95.08605	95.8
95.23204	4.1
96.08954	4.2
96.36230	3.4
97.06535	28.2
97.10175	13.1
99.08085	13.5
103.05429	4.1
105.07014	65.6
106.07360	7.5
107.08591	100.0
109.06493	19.9
109.10157	61.2
111.08086	20.5
113.09660	6.6
117.07005	8.5
119.04952	6.1
119.08580	82.7
121.06487	12.0
121.10133	77.9
122.10527	4.6
123.08060	18.3
123.11691	27.6
125.06010	3.9
125.09659	25.7
127.07537	14.3
127.11147	10.6
129.06973	6.5
131.08557	25.1
133.10132	64.7
135.08051	16.6
135.11682	48.0
137.05927	8.0
137.09607	14.9
137.13222	7.3
139.07512	7.2
139.11194	6.4
142.07834	6.4
143.08597	10.7
145.10126	52.8
147.04396	11.7
147.08000	6.0
147.11674	44.5
148.12015	4.3
149.02368	6.3
149.09593	17.6
149.13248	21.2
151.07602	5.1
151.11180	13.8
153.09056	4.0
153.12712	6.0
155.08574	5.8
156.09233	4.9
157.10095	28.0
159.08000	6.1
159.11687	47.6
161.09633	19.2
161.13248	30.1
163.11169	44.3
163.14810	16.8
165.09067	4.7
165.12769	31.7
169.10150	9.6
171.11678	18.3
173.09642	8.8
173.13277	28.8
175.07524	4.9
175.11179	16.2
175.14885	22.2
177.09164	4.6
177.12762	8.8
177.16518	4.7
181.12228	14.0
183.11749	8.3
183.13780	13.6
185.13292	19.9
187.11133	7.8
187.14819	19.4
189.12668	8.1
189.16336	22.2
191.14291	15.4
191.17958	4.6
193.15807	11.1
197.13229	11.3
199.11079	5.2
199.14813	14.8
201.12711	8.8
201.16347	29.8
203.14386	9.4
203.17940	15.6
205.15865	10.5
207.17433	12.6
209.13200	7.1
211.14778	10.6
213.16377	11.4
215.14322	9.6
215.17970	9.7
217.12305	4.3
217.15834	11.0
219.17365	5.4
223.14835	6.7
225.16490	4.6
227.17970	11.5
229.15846	5.8
231.13716	4.2
231.17419	6.7
233.19057	5.1
239.17960	5.9
243.17372	4.3
245.18857	5.1
247.16930	14.9
249.18518	13.1
255.17494	5.4
259.20471	4.9
285.22223	9.2
303.23206	4.7
309.22028	4.4
385.09274	4.7
391.26505	4.2
419.33047	11.9
427.32065	8.7
437.34781	38.6
455.30573	18.2
455.35220	39.7
473.25549	8.8
473.31232	30.0
473.36526	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	473.3628
Annotation	Myrrhanone B
Peak:m/z	Relative Intensity
55.01881	2.2
55.05510	13.7
57.07070	4.9
67.05505	17.6
68.04163	1.9
69.03468	2.2
69.07074	20.1
69.16071	14.0
71.05016	2.0
71.08630	2.0
74.16869	1.4
79.05496	16.6
81.07062	35.2
83.04962	2.3
83.08620	10.0
85.06580	2.2
91.05484	10.5
93.07038	30.4
95.04990	5.0
95.08603	44.4
97.06520	2.8
97.10172	5.0
98.22616	4.1
99.08106	3.3
105.07030	24.5
107.08591	46.3
107.09258	3.4
108.08952	3.1
109.06528	7.0
109.10169	26.2
111.08115	3.8
117.07041	4.1
119.08578	36.8
121.06519	4.2
121.10141	37.4
123.08094	5.6
123.11716	13.3
125.09602	4.4
129.07028	2.5
131.08554	12.8
133.10129	27.6
135.08069	3.9
135.11687	32.7
137.05943	2.6
137.09604	4.1
137.13249	3.7
139.07574	5.8
141.12794	2.6
143.08595	5.3
145.10123	20.7
147.11681	27.7
149.09676	3.1
149.13261	21.0
151.11198	5.9
153.09079	1.8
157.10118	8.8
159.11700	13.8
161.13252	15.8
163.11186	3.8
163.14818	20.5
165.12823	2.5
169.10185	2.8
170.10796	1.9
171.11676	5.1
173.13280	12.0
175.11229	3.4
175.14864	12.5
177.16434	16.3
179.14366	3.4
185.13271	5.8
187.14853	19.2
189.11308	3.2
189.12810	4.7
189.16386	30.3
190.16685	2.9
191.10712	1.7
191.14342	4.0
191.17993	13.5
197.13330	2.5
199.14845	4.4
200.15247	1.9
201.16399	12.6
203.18011	6.4
205.15889	92.3
206.16232	4.1
207.14198	2.2
207.17448	34.3
208.17691	2.6
213.16443	5.3
215.17867	12.9
217.16043	2.3
217.19621	4.3
219.13908	2.5
219.17532	8.0
225.16537	2.0
227.18013	4.2
229.19560	5.0
233.15613	2.1
235.17001	2.7
241.19569	2.7
247.16827	2.4
251.20146	5.1
255.20929	8.7
269.21017	2.4
381.27725	2.4
391.33664	4.8
409.34845	22.0
410.35379	3.4
419.32941	2.6
427.35843	100.0
428.36179	12.0
437.34827	12.0
455.35107	14.2
473.32538	7.8
473.35965	11.7
474.36026	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3625
Annotation	Jujubogenin
Peak:m/z	Relative Intensity
53.03934	1.6
55.01868	8.4
55.05510	7.1
57.03431	1.9
57.07071	3.7
59.04986	1.1
65.03920	1.1
67.05500	17.4
69.03427	2.1
69.07061	16.2
71.04987	2.5
71.08626	1.6
77.03945	0.7
79.05489	11.9
81.07054	46.9
82.07388	0.8
83.04981	2.9
83.08607	5.5
85.02896	1.4
85.06546	1.1
91.05479	13.2
92.05878	0.7
93.07043	25.6
95.04971	7.6
95.08604	47.2
96.08926	1.2
97.06536	4.3
97.10178	5.5
98.22523	1.7
99.08090	1.1
105.07030	27.3
106.07321	0.8
107.08591	36.6
109.06522	4.7
109.10150	30.7
110.10487	0.8
111.04456	0.9
111.08079	3.3
111.11727	2.6
117.07015	2.3
119.08578	31.9
120.08928	1.6
121.06511	3.3
121.10143	27.6
122.10420	0.8
123.08048	4.8
123.11698	12.7
125.09644	2.3
131.08549	5.5
133.10126	25.7
135.08061	3.5
135.11693	23.9
136.11995	1.2
137.05904	0.9
137.09610	2.5
137.13240	7.3
139.07532	5.9
143.08606	0.9
145.10143	7.0
147.11681	18.7
147.64375	0.8
149.09630	1.8
149.13252	12.2
151.07564	1.8
151.11186	12.1
151.14790	1.2
153.09154	1.1
156.09317	0.9
157.10103	2.5
159.08078	1.0
159.11710	8.7
161.09641	2.0
161.13252	18.4
163.11174	3.4
163.14816	10.7
165.09142	1.9
165.12776	3.3
167.10678	0.9
167.14273	0.9
171.11736	3.2
173.09575	1.2
173.13249	8.3
175.11217	2.0
175.14816	12.2
177.12743	4.8
177.16443	2.8
179.14299	40.7
180.14655	1.5
183.11664	1.1
185.13316	2.3
187.14812	5.4
189.12759	2.0
189.16377	19.9
191.14354	1.3
191.17934	24.1
192.18315	1.4
193.15970	2.1
195.13835	1.1
197.13217	1.0
199.14806	2.0
201.16356	6.5
203.14323	0.9
203.17961	10.4
205.15909	0.8
207.13921	1.0
207.17406	6.7
209.15427	1.5
211.14954	0.8
213.16399	1.0
215.17940	2.7
217.15874	4.9
217.19582	3.4
219.17462	2.5
221.15373	1.1
221.18929	3.7
225.16489	0.8
227.18005	3.1
229.19511	1.6
233.15428	1.3
233.19104	1.0
235.16887	9.8
235.20572	1.6
237.18532	1.8
239.18022	1.3
243.17429	1.0
243.21049	1.3
245.19101	2.9
247.16957	2.4
247.20749	0.9
249.72293	0.7
255.20975	1.2
257.18881	1.0
261.18564	1.7
263.20096	4.5
265.18121	2.7
275.20303	0.9
276.56573	0.8
279.19461	1.7
283.20694	1.0
289.21765	1.0
299.20493	0.9
301.21991	0.9
315.23251	0.7
391.33505	1.3
409.34885	3.2
419.33139	2.0
425.34213	3.0
427.35748	2.7
437.34146	7.1
438.34717	1.2
443.35318	2.3
455.35223	24.7
456.35730	2.2
473.36279	100.0
474.36551	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	473.3627
Annotation	Salaspermic acid
Peak:m/z	Relative Intensity
53.03953	3.6
55.01878	3.9
55.05328	1.9
55.05518	20.2
57.03435	10.0
57.07077	6.9
58.06600	43.2
59.04983	3.0
59.06926	6.9
59.07379	14.6
60.08168	12.4
67.05492	25.9
69.03422	6.6
69.07066	24.5
69.24199	6.3
69.24601	14.1
69.85686	2.3
70.23714	2.3
71.04988	9.7
71.08620	2.6
75.04458	3.6
75.31512	2.1
79.05477	16.8
81.07051	40.8
83.04988	7.4
83.08617	12.4
83.14207	2.3
85.06549	5.9
89.53748	2.1
91.05476	16.4
93.07044	33.4
95.04952	5.0
95.08612	45.2
96.08931	2.4
97.06493	5.8
97.10168	11.4
99.04459	18.6
99.08090	5.4
105.07032	31.9
107.04939	4.2
107.08599	48.5
108.08936	3.5
109.06548	6.7
109.10156	40.3
111.08072	4.0
117.07008	4.0
119.08575	41.5
121.06499	6.0
121.10139	47.1
121.10968	3.7
123.08073	7.4
123.11706	13.2
125.09640	10.8
127.07561	2.9
127.11195	9.1
129.07021	2.6
131.08546	13.4
133.10124	29.0
135.08067	7.2
135.11697	29.3
137.09599	5.7
137.13258	6.7
143.08575	8.2
144.10211	6.5
145.10103	26.2
147.08076	3.8
147.11684	22.2
148.12010	3.0
149.09622	7.5
149.13200	12.3
151.11143	4.4
155.08580	3.5
155.10637	5.2
157.10139	9.5
159.11717	18.3
161.09581	4.7
161.13257	20.7
162.11227	3.2
163.11221	5.9
163.14819	11.1
165.12778	7.1
167.10564	2.7
170.07623	2.5
171.11693	8.3
173.09708	3.2
173.13307	8.9
175.11177	5.5
175.14812	10.3
177.12720	4.7
177.16389	8.9
179.10672	3.1
179.14351	5.2
183.11664	4.1
185.13222	7.2
187.11151	2.9
187.14848	15.9
189.12820	4.9
189.16422	19.8
191.14224	2.5
191.17937	4.8
197.13274	3.2
199.14824	7.9
201.12686	3.4
201.16386	12.5
203.14450	4.6
203.17958	7.1
205.12267	3.2
205.15883	30.8
207.13631	3.0
207.17458	16.4
213.16441	6.2
215.14365	4.0
215.17926	6.1
217.12280	8.0
217.15833	4.6
219.14029	3.1
219.17488	4.1
221.15311	3.2
223.16862	4.2
225.16313	4.6
227.17981	4.9
229.19467	3.2
231.17381	3.3
233.15375	3.7
235.16934	3.5
236.14949	64.7
237.15247	36.8
243.17334	3.5
245.19019	2.8
249.18391	2.8
278.93451	3.3
339.23178	3.1
351.26767	2.6
357.28201	3.7
367.30090	4.8
377.28140	3.8
395.29462	4.2
399.13113	3.1
409.35184	2.9
427.36017	34.9
428.36066	4.3
437.29739	3.7
437.34705	5.2
455.36133	43.1
473.37012	100.0
474.37442	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3626
Annotation	Odoratone
Peak:m/z	Relative Intensity
50.91381	4.5
51.44454	4.6
53.03943	8.2
55.01869	4.0
55.05514	37.0
57.03439	6.3
57.07069	14.2
58.06595	21.6
59.07383	3.9
60.08175	5.8
65.40065	4.4
67.05500	33.7
68.05842	4.9
69.03432	8.3
69.07070	37.9
70.67812	8.3
71.04993	16.3
79.05489	36.3
81.07053	74.4
83.04979	16.3
83.08618	18.0
85.06555	12.2
91.04987	4.4
91.05483	26.9
93.07043	67.6
95.04980	10.1
95.08605	83.8
96.08873	5.9
97.06537	17.5
97.10178	11.9
99.04453	37.8
99.08085	9.2
105.07027	62.3
107.05013	5.5
107.08582	100.0
109.06536	14.0
109.10143	65.6
110.10480	5.1
111.08083	12.4
111.11739	6.3
117.07013	8.4
119.08578	81.2
121.06521	12.7
121.10143	75.5
122.10422	4.0
123.08059	15.0
123.11741	29.4
125.05956	5.9
125.09628	16.5
127.07605	4.5
127.11214	11.7
129.06956	7.8
131.08589	25.4
133.10126	64.0
134.10460	7.2
135.08078	11.1
135.11687	54.4
137.06007	5.0
137.09637	10.4
137.13258	10.1
139.07506	5.3
141.09044	5.1
143.08556	15.6
145.10133	55.4
146.10425	5.0
147.08093	10.9
147.11673	54.0
149.09615	10.3
149.13217	28.7
151.07585	6.2
151.11214	6.9
155.08542	8.4
155.10649	10.7
157.10124	16.2
159.11684	38.1
161.09613	10.5
161.13246	27.8
163.07526	5.0
163.11217	13.6
163.14757	24.9
165.09085	7.5
165.12852	6.9
169.10156	9.7
171.11761	11.6
173.09647	8.3
173.13293	21.5
175.11128	5.0
175.14786	25.6
177.12813	10.3
177.16420	17.0
179.14319	10.5
181.12372	6.9
183.11722	8.3
185.13293	10.8
187.14798	41.9
189.12737	6.6
189.16402	39.6
191.14297	7.4
191.17986	11.4
197.13385	6.2
199.11143	5.6
199.14836	16.2
201.16374	24.5
203.14288	8.9
203.17978	13.3
204.25764	5.0
205.15855	45.6
207.17435	29.1
211.14890	5.7
213.16321	7.8
215.14299	9.8
215.17986	10.6
217.12251	13.6
217.15930	10.3
219.17444	11.0
221.15425	6.9
227.17996	10.3
229.19522	9.7
231.17560	6.4
233.15359	8.8
235.16858	8.6
236.14929	39.2
237.15126	24.8
255.17320	6.0
255.20813	6.3
285.22031	5.4
331.26361	11.1
377.28244	5.3
385.31198	6.9
395.29459	10.0
409.30396	6.3
409.34973	7.5
413.29950	5.8
427.36044	62.0
428.36374	5.6
437.29602	9.7
437.34308	18.5
438.34842	5.6
455.35242	49.8
473.31009	14.7
473.37543	73.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
55.05516	5.2
57.03431	0.9
57.07063	2.9
64.03782	0.7
65.03931	1.4
67.05508	4.4
69.03412	1.7
69.07056	2.8
71.04981	1.2
76.03169	0.7
79.05479	4.1
81.03413	1.7
81.07063	6.4
83.04991	1.6
83.08612	1.4
84.70676	0.7
85.02912	2.1
85.06541	0.8
91.05483	5.2
93.07033	4.6
95.04972	4.6
95.08601	7.1
96.08953	1.0
97.02920	0.9
97.06521	1.9
97.10155	2.4
100.11219	1.1
103.05508	0.9
105.07024	6.0
105.07660	0.9
107.04940	1.4
107.08580	6.8
108.08932	1.6
108.23273	0.8
109.06537	1.6
109.10139	4.8
111.08109	1.0
111.62470	0.7
117.07024	2.0
117.55328	0.7
119.08588	5.9
120.08932	1.5
121.02875	3.0
121.06472	1.1
121.10123	5.6
122.10432	1.1
123.04533	0.7
123.08046	0.9
123.11667	1.8
125.09690	1.1
129.06993	1.4
131.08549	2.9
133.06445	1.4
133.10138	3.8
135.11676	2.5
136.12016	0.9
137.05980	3.6
137.09592	1.8
137.13260	0.9
143.08537	1.5
145.10124	4.0
146.10451	1.5
147.08005	1.1
147.11678	3.0
148.12019	0.8
149.02338	100.0
149.09621	1.2
149.13210	1.3
150.02670	2.5
150.13544	1.0
151.07529	1.1
151.11244	0.8
157.10158	1.9
159.11674	3.0
160.12064	1.0
161.05959	1.6
161.09647	1.0
161.13210	1.9
163.11115	2.0
165.09125	7.3
166.09470	2.0
167.03409	1.5
169.10092	0.8
171.11667	1.5
173.13286	1.7
175.07622	1.2
175.14828	1.9
183.11685	0.9
185.13228	1.5
187.14818	1.8
189.12737	1.1
189.16377	1.3
201.16371	1.1
203.10594	0.9
203.14301	1.0
205.08589	16.2
212.29463	0.8
217.15729	1.0
218.16269	1.1
221.08095	1.1
229.23479	0.9
270.08905	1.0
277.14404	6.2
302.27341	0.9
311.09018	1.0
313.10706	6.6
329.10162	2.6
383.21896	1.8
438.87448	0.7
456.31528	1.4
473.36087	1.0
474.36185	3.8
475.31082	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08012	2.2
50.69845	2.3
55.01886	5.5
55.05516	47.8
57.03439	3.1
60.87238	2.4
67.05501	35.8
69.03429	5.1
69.07076	28.4
69.17811	3.3
69.18209	19.4
72.04535	4.1
77.57063	2.3
79.05499	25.4
81.07061	53.5
83.04980	6.1
83.08618	28.3
83.54697	2.7
85.02903	3.1
85.06547	4.4
85.27903	3.1
91.05495	10.1
93.07046	27.7
95.08607	52.6
96.08944	3.9
97.06536	4.9
97.10169	56.5
99.04550	2.5
105.07035	11.4
107.08609	30.0
109.10166	23.8
111.08093	7.9
113.20784	2.5
117.07047	6.3
119.08589	10.1
120.08945	3.0
121.10126	26.5
122.10525	3.7
123.11729	9.2
125.09628	36.6
127.74717	2.6
131.08562	12.0
133.10138	13.2
135.08041	5.7
135.11679	12.2
137.05969	4.0
137.09642	4.5
137.13271	2.9
139.07564	6.3
139.11205	6.8
141.41002	2.7
145.10149	9.4
147.11700	5.9
149.09610	3.8
149.13261	4.2
151.11183	4.1
153.09145	17.9
153.18065	2.6
157.10138	3.0
159.11745	7.8
160.58612	2.6
161.13258	4.8
163.11212	3.1
163.14865	4.4
167.10686	3.1
171.10155	6.0
173.13213	6.6
177.12708	4.0
185.13364	2.9
187.13351	3.3
189.11238	48.7
189.16333	5.0
201.16380	3.2
204.14696	3.0
207.17294	2.6
215.17984	6.2
219.17554	3.7
233.19055	13.3
237.18533	7.3
249.18492	9.9
251.20071	71.2
252.20345	2.9
269.21115	100.0
270.21542	7.2
293.21118	3.0
385.27072	3.4
403.28363	22.2
410.31409	5.1
421.29517	26.4
439.30411	10.5
444.35641	4.6
456.31717	9.6
471.39212	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.3562
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.0
53.48510	5.3
55.05518	29.8
57.07063	6.1
59.04965	5.1
67.05505	50.7
69.03428	11.4
69.07063	43.8
71.04993	13.5
71.30415	4.5
73.06525	5.1
79.05496	43.2
81.03422	5.7
81.07053	85.3
82.07384	13.7
83.04970	6.9
83.08614	22.1
85.06534	42.1
91.05473	42.6
91.80019	4.8
93.07041	73.8
94.07393	6.3
95.04983	16.9
95.08603	100.0
96.08927	12.0
97.06550	19.7
97.10169	10.2
98.22530	13.2
99.04501	5.3
99.08092	14.2
105.07028	74.8
106.07356	10.3
107.08592	96.4
107.09249	8.7
108.08916	13.2
109.06525	11.3
109.10156	74.6
110.10497	11.0
111.08082	12.0
113.09681	5.6
115.47549	4.2
119.04853	4.7
119.08582	89.3
120.08914	11.7
121.06502	8.7
121.10145	76.9
122.10481	11.9
123.08089	15.4
123.11710	31.3
125.09647	15.8
127.07594	7.2
127.11198	12.0
128.11510	5.1
129.07047	10.5
131.04794	5.3
131.08572	33.1
133.06500	8.6
133.10124	70.6
134.10478	7.8
135.08029	9.5
135.11696	47.2
136.12050	9.8
137.05972	27.6
137.09613	15.5
137.13240	7.9
143.08549	17.6
144.08885	5.1
145.10121	44.3
146.10464	8.3
147.08047	10.3
147.11642	45.4
148.12042	6.3
149.09669	7.3
149.13272	28.5
150.09953	6.7
150.13620	5.2
151.07521	9.3
157.10136	25.1
159.11688	45.4
160.12047	13.5
161.09624	15.5
161.13271	37.4
162.13701	5.3
163.11244	13.1
163.14842	21.2
164.08340	6.2
165.09102	45.3
166.09465	13.2
169.10046	7.3
171.11694	25.2
172.12064	7.9
173.13213	29.5
174.13647	6.9
175.11244	9.4
175.14821	20.7
177.12744	17.7
177.16418	11.9
179.14337	7.2
181.10190	7.4
183.11649	8.6
185.13239	36.0
186.13596	7.3
187.11343	7.5
187.14784	33.2
188.15137	6.7
189.09158	4.8
189.12764	21.0
189.16350	27.3
190.16670	7.7
191.10686	6.7
191.14343	9.7
191.17943	75.5
193.15926	6.7
197.13313	7.6
199.14771	11.3
200.15071	6.2
201.16386	15.2
202.16693	6.6
203.10609	7.1
203.14288	39.4
203.17999	18.7
204.11043	7.0
204.14667	9.9
205.12242	10.8
205.15872	11.8
206.16188	6.5
207.17491	23.0
211.14766	6.3
213.16385	15.9
215.17989	8.9
217.12138	7.7
217.19516	13.7
219.13742	6.4
223.13365	7.1
231.13905	14.4
231.17506	10.4
249.14928	25.1
249.18674	6.0
250.18651	5.5
251.73647	5.8
393.31531	21.7
411.32944	8.4
421.30685	18.0
438.34991	11.1
439.32111	93.0
440.32504	11.2
456.35577	20.0
457.33276	29.7
474.36475	19.4
475.29578	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	474.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	16.8
57.07070	4.7
64.55223	3.2
67.05501	26.8
69.07068	21.8
69.20229	24.6
71.04994	3.7
79.05493	26.4
81.03423	3.0
81.07055	54.3
81.07510	5.0
83.08627	7.5
85.06539	30.2
91.05480	29.4
93.07042	52.0
95.04998	6.7
95.08607	68.6
97.06535	4.2
97.10172	7.5
99.08108	3.0
103.05475	4.2
105.07031	45.3
107.08594	62.0
109.10155	53.2
111.08088	7.8
117.07038	10.9
119.08578	59.2
120.08872	3.2
121.10142	63.7
122.10524	5.1
123.08092	4.3
123.11678	20.9
124.12052	3.4
125.09657	4.5
129.06993	10.5
131.08569	22.7
132.25124	2.9
133.06589	5.0
133.10132	54.7
134.10503	4.2
135.08032	5.0
135.11690	43.7
137.05986	20.2
137.09645	2.8
137.13295	7.2
143.08583	16.8
145.10121	46.0
147.08035	12.9
147.11681	36.5
149.13261	22.6
151.07542	12.6
157.10133	22.5
159.11684	40.0
161.09688	3.8
161.13264	43.4
163.11224	6.6
163.14815	25.0
165.09123	11.7
169.10132	6.8
171.11691	19.0
173.13234	16.1
175.11151	6.9
175.14828	12.9
175.36641	3.1
177.12727	11.6
177.16342	17.6
179.14220	4.4
183.11687	11.7
185.13254	40.4
187.07588	3.8
187.11244	3.9
187.14818	30.6
189.08980	4.1
189.12799	16.5
189.16403	26.3
191.17941	90.1
192.18250	5.5
197.13258	4.5
199.14839	8.2
201.12480	3.5
201.16437	10.9
203.10747	5.7
203.14299	44.6
203.17944	19.4
205.15887	3.5
205.19453	3.0
207.13797	3.9
207.17468	11.9
211.14928	4.9
213.16405	6.7
215.14468	3.6
215.18039	7.8
217.12317	4.3
217.15953	4.4
217.19475	12.8
219.13809	4.3
219.17513	7.4
223.13290	9.2
227.18027	5.1
229.15887	4.6
231.11714	3.1
231.13847	11.2
231.17538	5.1
235.13205	4.5
241.19417	3.2
246.86935	3.1
249.14862	52.0
375.30371	5.7
393.31531	14.7
411.32535	14.9
421.30823	22.2
439.32022	100.0
440.32251	8.5
457.32816	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	474.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76437	0.4
55.01855	0.5
55.05489	1.5
57.03434	6.9
57.07072	10.0
58.06599	45.1
59.07380	14.9
60.08162	13.9
66.59419	0.5
67.05485	2.6
69.03426	0.5
69.07033	1.8
70.48220	0.6
70.48557	1.4
71.08628	5.6
73.02894	1.3
74.48167	0.4
75.04482	4.0
79.05457	0.7
81.07056	2.8
83.08579	1.8
84.08144	0.7
85.02912	2.8
85.10176	2.5
87.04470	5.4
95.08620	3.8
97.10154	1.0
100.11207	0.5
102.05514	0.6
103.03925	0.9
105.05486	1.1
109.10119	2.1
123.11667	0.6
131.07025	1.6
144.10188	9.2
162.11205	2.1
200.12804	0.7
218.13882	1.1
236.14912	100.0
237.15253	3.1
270.89661	0.5
285.30103	0.5
313.27222	1.0
412.38062	0.7
439.36050	0.6
456.36810	28.8
457.36975	2.4
474.37881	94.8
475.38196	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	474.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	1.1
55.05482	2.0
57.03430	6.0
57.07065	4.2
58.06598	29.8
59.07384	9.2
60.08164	9.2
67.05500	3.1
69.05223	0.6
69.07028	3.0
71.04963	0.7
71.08595	2.7
71.33820	1.0
73.02899	0.9
75.04475	3.3
79.05476	1.5
81.07051	5.9
83.04970	0.7
83.08584	1.9
85.02872	1.5
85.06508	0.8
85.10152	1.2
85.72550	0.6
87.04455	5.1
88.19260	0.6
91.05448	2.0
91.84508	0.6
93.07044	4.0
95.04976	0.7
95.08593	6.6
96.08894	0.8
105.05441	1.3
105.06978	2.7
107.08591	4.6
108.08868	1.1
109.06450	1.1
109.10150	3.8
111.08089	1.1
119.08565	4.1
120.08862	1.2
121.10126	4.6
122.10445	0.7
123.11674	1.2
125.09560	0.9
131.07004	2.4
131.08524	1.5
133.10103	2.9
135.11635	2.3
137.09608	0.7
137.13240	0.6
141.86865	0.7
144.10178	8.9
145.10081	2.3
147.11661	1.7
148.12019	0.7
149.09633	0.7
152.47458	0.7
157.09966	1.1
159.11650	1.9
161.13210	2.0
162.11221	3.1
163.11179	0.8
163.14780	1.2
167.10695	1.0
171.11688	1.0
173.13272	1.5
175.14774	0.8
177.16397	0.8
180.48151	0.6
183.11639	0.9
185.13376	0.9
187.14772	1.7
191.14189	0.6
201.16325	0.8
202.16757	0.7
203.14330	0.8
205.15921	1.3
206.16228	1.4
219.13658	0.7
233.15459	1.0
236.14911	100.0
237.15225	3.6
243.17448	1.0
298.41223	0.6
377.50220	0.8
421.31155	1.2
428.36050	2.4
439.32150	3.7
456.36768	24.6
457.37811	1.4
474.37897	64.0
475.31628	4.5
475.38345	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	474.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	31.0
56.11367	9.0
57.07077	29.3
67.05511	53.5
69.07062	42.1
76.96098	8.7
79.05469	22.4
81.07042	58.0
83.08607	10.0
91.05491	25.7
93.07043	45.5
95.08601	100.0
103.47309	10.7
105.07024	40.8
107.08587	68.6
109.10114	65.5
115.48563	10.0
119.08562	50.1
121.10146	35.9
123.11727	23.4
125.09623	15.3
131.08589	24.2
133.10130	43.6
133.42697	9.5
135.11711	25.1
137.09619	15.2
139.11165	13.8
145.10094	34.9
147.11714	18.2
149.13278	18.5
151.11153	13.2
157.10161	18.6
159.11690	44.0
161.13239	22.5
163.14801	11.5
165.12700	12.7
166.10852	9.4
171.11621	12.1
173.13239	26.1
175.14836	35.6
185.13237	11.1
187.14795	50.1
187.64224	8.9
189.16360	10.5
193.15811	50.6
199.14882	10.4
201.16359	18.5
213.16380	30.8
215.17903	11.3
225.16394	12.7
227.17944	27.6
229.19537	30.6
231.17360	14.3
245.19084	31.4
247.20605	13.9
251.04591	68.6
307.10675	13.5
349.29123	12.4
363.17096	53.5
367.29846	62.4
385.31100	52.4
439.35849	30.3
474.40179	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	475.1232
Annotation	Aristofolin A
Peak:m/z	Relative Intensity
53.03921	1.1
55.01864	0.4
55.05491	0.4
57.03407	0.8
58.62709	0.3
65.03936	0.6
67.05476	1.6
69.03403	1.3
69.07037	0.7
69.45168	0.7
69.45564	2.2
71.04977	0.7
76.76767	0.3
79.05468	1.4
81.03404	3.5
81.07053	1.8
83.04976	0.6
83.08617	0.4
85.02911	2.4
85.06512	0.5
91.05485	2.1
92.63878	0.5
93.07012	1.4
95.04929	1.2
95.08614	2.1
97.02882	0.6
97.06480	0.4
99.04459	0.5
103.05458	0.5
105.07021	2.6
107.04897	0.8
107.08578	1.9
109.02874	1.7
109.06496	0.4
109.10122	1.9
111.04440	0.4
111.08048	0.4
115.05449	0.6
117.06993	0.4
119.04932	2.6
119.08554	1.3
121.02861	8.6
121.06424	0.7
121.10109	1.3
122.03112	0.4
122.10490	0.4
123.04411	0.6
123.07973	0.5
123.11623	0.5
127.03883	1.0
131.04919	0.6
131.08502	1.0
131.10657	0.7
133.10115	1.5
135.08041	0.8
135.11662	0.8
137.05966	2.6
139.03885	0.6
143.08565	0.6
145.02824	1.3
145.06357	0.4
145.10080	1.2
147.04370	0.6
147.08017	0.4
149.02341	4.0
149.09521	0.6
149.13219	0.5
151.03879	1.4
151.04929	0.4
151.07498	1.0
157.10059	0.4
159.07962	0.5
159.11670	0.7
160.05078	0.4
160.12025	0.3
161.05962	0.8
163.07513	0.9
163.11131	0.4
165.06918	0.5
165.09067	0.5
167.03413	0.8
167.07053	1.2
169.04993	0.5
173.13142	0.5
175.07530	1.0
177.05476	0.5
177.09006	0.3
178.09856	0.9
179.03365	6.1
181.04980	0.7
183.08015	0.4
191.03481	0.4
193.04880	0.5
197.02919	0.4
197.04398	2.0
201.05444	0.5
203.07005	1.0
205.04861	0.4
207.06558	0.7
207.17436	0.5
209.04419	0.5
211.07526	1.2
219.06490	0.9
221.04436	0.8
229.04794	0.4
231.06398	0.8
233.50113	0.3
237.05638	0.4
239.06979	0.6
242.01985	0.4
242.05786	0.5
254.05736	1.3
255.06479	1.0
257.04520	0.8
267.06512	26.5
268.06891	1.6
269.08026	1.0
272.37817	0.4
279.06641	0.6
280.07059	0.7
281.08093	0.7
282.05331	2.1
282.07959	0.4
283.05975	1.5
284.06763	1.4
285.07587	5.2
289.09061	0.4
293.07925	0.7
294.05145	1.7
295.05914	1.3
295.09576	0.4
297.07550	100.0
298.07904	5.7
304.07315	0.7
306.08539	0.5
307.06024	1.3
307.09518	0.8
308.06900	1.6
309.07590	2.7
311.05743	0.8
311.09052	3.5
313.10632	2.0
319.06186	0.8
319.09622	1.9
320.06708	0.8
321.07568	1.4
322.08261	3.9
323.09128	2.5
325.07022	0.4
327.08682	3.2
332.06601	0.5
335.09070	1.6
337.07187	1.0
337.10657	15.4
338.10995	1.2
339.08499	0.9
344.07257	0.5
347.09122	1.5
351.08615	1.4
360.06271	0.8
363.08609	7.5
365.10193	2.9
375.08615	7.9
376.08975	0.6
381.09647	15.7
382.09872	0.7
393.09647	10.4
394.10080	0.5
411.10703	10.8
412.11270	0.8
429.11737	6.0
439.10455	0.4
456.31677	0.5
457.11270	4.0
457.32739	0.5
474.31259	0.5
474.81775	1.7
475.12305	46.3
475.32645	8.6
475.82471	1.3
476.12622	4.4
496.47867	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97829	0.8
55.01870	1.3
55.05515	7.4
57.03436	2.4
67.05507	10.1
69.03427	1.6
69.07072	4.8
69.16966	8.0
69.91229	0.9
71.04996	12.9
79.05504	7.1
79.84544	0.9
81.03429	1.9
81.07062	10.7
83.04966	3.5
83.08622	4.9
85.02905	11.8
87.04434	1.0
91.05480	7.9
93.07052	8.7
95.04979	2.3
95.08601	8.6
97.06516	1.7
97.10163	2.4
98.22609	2.2
103.18720	1.0
105.07034	5.8
107.04943	1.4
107.08600	7.8
109.06520	1.0
109.10162	4.7
111.04410	1.7
111.08074	2.2
113.06001	1.2
117.07022	1.9
119.04906	1.2
119.08573	7.3
121.06510	1.7
121.10162	6.8
123.08047	1.7
123.11722	2.6
125.09595	1.9
129.05466	2.5
129.06975	1.8
129.09070	1.6
131.08572	4.9
133.10103	4.4
135.04433	2.2
135.08040	1.6
135.11687	4.8
137.06006	2.7
137.09653	1.4
143.08563	1.4
145.10120	4.1
147.08040	1.7
147.11694	3.7
149.09616	2.3
149.13249	2.3
151.07588	1.8
157.10141	3.0
159.11717	3.4
161.09628	1.4
161.13298	2.4
163.11201	1.5
163.14835	1.2
167.07045	1.4
167.10651	1.0
171.11722	2.6
173.13263	2.1
175.11206	1.8
175.14841	1.8
177.12819	1.7
181.04985	2.7
185.13185	1.7
187.11256	1.1
187.14880	2.3
189.09087	1.5
189.16431	2.0
191.10637	1.6
191.14424	1.1
199.11192	1.3
201.12723	1.4
201.16351	1.1
203.10669	1.7
203.14427	1.7
215.17799	1.1
243.06479	1.4
247.17084	1.1
257.19089	1.5
258.08875	2.4
271.05881	1.5
275.20123	7.3
285.07611	1.9
285.10956	1.0
286.08304	4.2
293.21155	9.3
294.21524	1.1
299.05505	1.0
311.22122	2.0
313.06946	3.0
314.07767	8.8
329.10178	100.0
330.10626	6.9
330.20203	1.0
383.22217	2.0
403.28329	1.3
421.29642	2.3
439.31522	2.4
457.32993	3.2
475.26785	2.7
475.34280	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	475.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
66.34403	0.4
67.05490	0.7
69.07047	0.6
69.31950	1.6
69.32352	0.8
70.19377	0.4
79.05492	0.7
81.07028	0.9
84.69233	0.4
91.05491	0.9
93.07047	1.0
95.04967	0.4
95.08588	1.0
105.07024	1.0
107.08578	1.1
109.10159	1.1
111.04440	0.5
117.07006	0.6
119.08592	1.0
121.06505	0.4
121.10126	1.0
131.08551	0.5
133.06482	1.3
133.10153	0.4
135.11742	0.7
137.05981	0.8
143.08589	0.5
146.65990	0.4
159.11682	0.5
165.09163	0.5
173.13245	0.5
181.04993	1.8
270.08841	17.7
271.09348	1.1
297.37222	0.4
298.08337	11.2
299.08890	0.6
311.09320	0.5
313.10672	100.0
314.10977	6.8
355.24597	0.5
421.39966	0.4
439.32382	0.4
475.16934	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.9
55.01866	1.0
55.05285	0.4
55.05510	4.3
57.03431	0.9
60.17144	0.4
61.02946	0.4
65.03928	0.6
67.05505	6.6
69.03425	1.5
69.07059	2.8
70.58475	0.7
70.58809	0.9
71.04988	1.2
79.05042	0.6
79.05487	7.0
81.03419	5.2
81.07051	6.9
83.04987	1.6
83.08615	2.5
85.02905	2.6
85.06537	1.0
91.05475	6.6
93.07028	6.1
95.04947	3.3
95.08600	6.8
97.02885	1.0
97.06508	1.8
97.10159	1.4
99.04445	0.5
99.08089	0.5
103.05449	1.4
105.07020	5.8
107.04936	2.2
107.08594	6.4
109.02871	0.9
109.06511	1.3
109.10141	4.2
111.08072	1.2
117.07010	3.3
119.04941	0.8
119.08566	7.6
121.06506	2.4
121.10139	4.1
123.08070	2.0
123.11649	1.1
125.05986	0.7
125.09635	1.6
127.11199	0.6
128.06226	0.7
129.06990	1.9
131.04948	0.7
131.08563	3.2
132.08911	0.5
133.06458	2.0
133.10129	8.7
134.10468	0.5
135.04427	0.8
135.08028	2.1
135.11676	5.8
137.05956	3.8
137.09583	0.8
137.62712	0.4
143.08548	2.4
145.06458	1.6
145.10098	4.4
147.04401	0.7
147.08011	1.5
147.11662	3.2
149.05933	0.5
149.09596	1.6
149.13239	1.4
151.03961	0.6
151.07532	1.8
151.11174	0.8
153.09070	0.5
155.08517	1.1
157.10097	1.9
159.08116	1.1
159.11726	2.1
161.05951	2.7
161.09636	2.7
161.13269	1.4
163.07562	2.1
163.11156	3.9
163.14810	0.8
165.07039	0.5
165.09062	2.2
165.12788	0.6
169.10094	1.1
171.08064	1.1
171.11685	1.6
173.09645	1.6
173.13277	1.5
175.07588	0.8
175.11197	1.7
175.14732	1.0
177.09071	0.9
177.12819	0.4
177.16470	0.6
179.10634	1.8
181.04889	0.7
181.06474	0.4
182.10915	0.4
183.11676	0.7
185.09593	0.7
185.13232	1.0
187.07526	0.7
187.11177	1.2
187.14859	1.4
188.11095	0.5
189.09120	1.7
189.11165	0.7
189.12775	0.8
189.16388	5.0
191.10664	1.1
191.17883	0.6
193.12219	1.7
195.11664	0.5
197.09686	0.6
197.13191	0.8
199.11244	0.5
199.14774	0.8
201.09085	0.6
201.12776	0.4
201.16440	0.5
203.10663	1.5
203.14278	0.6
203.18031	0.4
205.15825	0.6
207.10138	1.1
207.17441	6.0
209.11635	0.5
211.11212	0.5
211.14903	0.7
213.12715	0.5
213.16367	0.6
215.10683	0.6
223.14857	0.6
225.09120	0.5
227.07080	0.7
227.10654	0.9
227.12646	4.0
231.13744	0.7
241.08493	0.6
242.09474	0.5
243.13722	0.5
255.06517	0.8
269.08051	2.6
269.15405	0.6
270.08844	12.2
270.11752	0.7
271.09250	0.6
289.14520	0.9
297.07779	1.0
297.11005	0.5
298.08347	17.4
298.11786	0.9
299.08533	1.2
299.12650	0.6
313.10666	100.0
314.11014	6.0
351.15802	1.2
355.22501	1.0
365.21002	1.5
383.22125	5.7
383.29346	2.0
384.22668	0.6
401.23190	2.4
411.28778	1.4
421.31049	0.8
429.29871	1.4
431.24231	0.6
457.29758	16.0
458.29764	1.0
475.20615	1.1
475.26840	7.8
475.33978	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	18.0
54.10389	3.5
55.01868	24.7
55.05520	37.6
57.03442	14.0
57.07069	7.6
61.02923	5.9
62.69521	3.1
63.21929	3.1
65.03929	9.0
67.05504	71.4
69.03423	37.1
69.07064	37.9
71.05006	17.3
72.98807	3.3
73.02917	6.1
77.03960	5.4
79.05492	75.6
81.03416	78.2
81.07058	92.9
83.04982	17.2
83.08619	24.8
85.02905	47.5
85.06540	8.4
90.43604	3.3
91.05482	78.6
93.07046	95.8
95.04970	37.3
95.08608	100.0
97.02892	21.1
97.06542	16.3
97.10185	15.4
99.04454	10.1
99.08102	7.1
103.05469	33.7
105.04540	4.4
105.07027	91.1
107.04965	47.3
107.08596	91.6
107.97769	3.7
108.08929	4.6
109.02871	22.1
109.06527	12.0
109.10160	64.7
110.10572	3.8
111.04430	8.3
111.08088	14.8
115.05470	10.7
116.06218	3.7
117.07027	28.0
119.04943	10.5
119.08587	93.2
119.09426	5.7
121.02874	10.6
121.06509	35.4
121.10146	68.3
123.04457	19.2
123.08088	14.8
123.11724	21.4
125.06000	6.3
125.09636	20.2
127.03937	14.4
128.06229	12.6
129.06993	20.9
131.04932	28.1
131.08568	45.8
132.05724	5.7
133.06493	22.6
133.10129	57.9
135.04437	13.6
135.08040	20.6
135.11700	50.4
137.05984	57.0
137.09633	12.5
137.13235	6.3
139.11151	4.6
141.06999	10.1
142.07808	7.2
143.08569	24.5
144.05724	5.4
145.06451	22.4
145.10126	57.2
146.06001	3.7
147.04424	13.1
147.06288	4.3
147.08069	14.8
147.11696	46.5
148.05203	4.8
149.05983	63.0
149.09607	18.5
149.13284	23.8
151.03931	8.7
151.07515	36.2
151.11150	9.7
153.12796	9.7
155.08560	7.6
156.09256	3.3
157.10147	28.7
159.08044	18.0
159.11679	46.1
160.05197	4.2
161.06024	32.7
161.09607	17.3
161.13242	28.4
163.03963	6.5
163.07570	52.8
163.11157	27.5
163.14795	16.0
164.08351	28.8
165.05608	5.9
165.07037	5.0
165.09105	47.5
165.12727	4.9
167.07062	14.1
167.08398	4.5
167.14348	3.5
167.62201	4.0
169.06532	3.8
169.10146	7.3
171.08041	11.0
171.11685	18.8
173.06009	7.5
173.09633	16.3
173.13229	41.5
174.06856	4.1
175.03920	9.8
175.07596	20.7
175.11205	14.6
175.14825	30.5
177.09200	9.2
177.12737	8.7
177.16412	8.2
179.07094	8.4
179.10739	4.1
179.14316	4.6
181.04985	12.3
181.08632	23.9
181.12187	7.1
183.11710	11.2
185.06042	5.0
185.09634	4.6
185.13280	18.0
187.07579	12.1
187.11252	3.9
187.14798	21.7
188.08243	3.8
189.05450	9.7
189.09132	21.7
189.10901	3.6
189.12785	9.9
189.16377	23.2
191.07013	9.6
191.10725	12.2
191.14287	9.4
191.17932	26.5
193.12221	20.1
195.11690	3.8
197.13316	9.5
199.07607	6.6
199.11198	4.0
199.14847	11.2
201.09114	7.8
201.12732	9.7
201.16397	21.2
203.06941	3.8
203.10756	10.6
203.14305	36.8
203.18022	10.0
205.08687	5.1
205.12271	8.3
205.15961	12.6
207.08308	3.7
207.14102	3.9
207.17464	14.6
208.78520	3.4
209.11736	10.5
211.11183	4.3
211.14870	5.4
213.09094	4.0
213.16417	7.3
215.14331	7.2
215.17920	9.1
217.12274	4.2
217.15894	7.0
217.19472	5.6
219.13799	6.8
219.17474	4.6
221.15359	8.1
225.09163	9.5
227.10768	7.0
227.12634	20.9
229.12201	7.1
229.16252	4.8
231.13863	16.1
231.17360	6.8
233.15393	8.2
234.08630	11.0
235.07593	4.4
235.11131	5.2
243.13841	4.0
247.13237	24.0
249.14944	5.2
253.08731	9.2
265.14322	6.9
270.08755	5.4
285.11194	8.1
289.14383	7.3
297.07861	4.1
297.11270	5.1
299.09375	4.2
299.12906	4.7
313.07065	4.8
313.10754	91.8
313.14276	13.5
314.10977	6.9
323.08163	3.4
325.14398	6.1
331.11859	7.4
355.22638	5.0
365.20990	7.5
383.22156	35.9
387.17828	4.0
393.31650	13.2
394.31366	3.5
401.23398	14.9
411.32556	15.8
421.31177	7.3
439.31982	22.3
457.15207	20.7
457.25903	20.9
457.33179	32.8
472.97131	3.4
475.15076	25.3
475.26929	69.4
475.34021	62.6
476.27759	6.4
476.34277	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	475.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.3
53.03944	1.0
55.01871	0.6
55.05506	0.9
57.03423	1.0
61.02913	1.1
65.03926	1.2
67.05504	1.5
69.03429	3.9
69.07085	0.7
69.61541	1.5
71.04987	0.6
73.02929	0.8
78.18056	0.4
79.05486	1.4
81.03428	2.6
81.07063	2.7
83.04958	0.8
83.08626	0.4
85.02412	0.6
85.02908	9.1
85.06544	0.4
86.95271	0.3
87.04453	0.8
91.03976	0.5
91.05481	15.8
92.05824	0.6
93.07040	1.5
95.04948	1.2
95.08599	2.0
97.02866	2.7
97.10194	0.5
99.04461	0.5
102.80778	0.3
103.05450	0.8
104.72709	0.3
105.03369	0.5
105.07034	2.2
107.04961	0.7
107.08597	1.6
109.02858	1.4
109.06521	1.4
109.10155	1.2
115.05526	0.5
117.07022	1.0
119.04945	11.4
119.08604	1.7
120.05288	0.4
121.06493	0.5
121.10150	1.0
122.03653	0.5
123.04430	40.4
123.08063	0.7
124.04772	1.1
127.03931	2.2
128.06197	2.0
129.07037	0.8
131.04903	0.5
131.08553	1.0
133.06473	0.9
133.10054	0.8
134.88791	0.3
135.04453	0.4
135.08055	0.6
135.11720	0.8
137.05975	100.0
138.06323	2.4
141.25963	0.4
142.07722	0.4
143.08575	5.4
145.04964	1.1
145.06488	1.7
145.10139	1.9
147.08005	0.4
147.11682	2.5
149.09607	0.6
151.04008	0.4
151.07536	13.2
152.07883	0.5
157.06593	0.4
157.10121	0.6
159.08026	1.1
160.08847	0.6
161.05948	1.2
161.13269	0.5
163.07588	0.5
165.09116	0.8
171.08067	6.2
172.08849	1.8
173.05994	1.3
173.13237	0.6
174.06613	0.5
175.07518	1.3
175.11165	0.6
177.09094	0.8
188.08328	10.9
189.05534	0.5
189.09038	2.1
190.09625	0.4
191.10646	1.9
203.10666	38.4
204.11041	1.6
211.07545	0.8
225.09102	0.4
231.13718	0.4
239.06944	0.7
252.07640	0.4
253.08702	0.6
255.06599	1.0
269.08118	0.8
270.08911	1.0
281.11871	0.4
284.10419	0.6
313.10751	4.9
313.14282	44.5
314.14795	2.8
329.10275	0.5
333.15173	0.4
355.22260	0.5
383.22147	1.4
444.80478	0.5
457.15213	0.8
457.25674	0.4
475.19537	5.8
475.26874	1.9
475.33661	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	18.0
54.10389	3.5
55.01868	24.7
55.05520	37.6
57.03442	14.0
57.07069	7.6
61.02923	5.9
62.69521	3.1
63.21929	3.1
65.03929	9.0
67.05504	71.4
69.03423	37.1
69.07064	37.9
71.05006	17.3
72.98807	3.3
73.02917	6.1
77.03960	5.4
79.05492	75.6
81.03416	78.2
81.07058	92.9
83.04982	17.2
83.08619	24.8
85.02905	47.5
85.06540	8.4
90.43604	3.3
91.05482	78.6
93.07046	95.8
95.04970	37.3
95.08608	100.0
97.02892	21.1
97.06542	16.3
97.10185	15.4
99.04454	10.1
99.08102	7.1
103.05469	33.7
105.04540	4.4
105.07027	91.1
107.04965	47.3
107.08596	91.6
107.97769	3.7
108.08929	4.6
109.02871	22.1
109.06527	12.0
109.10160	64.7
110.10572	3.8
111.04430	8.3
111.08088	14.8
115.05470	10.7
116.06218	3.7
117.07027	28.0
119.04943	10.5
119.08587	93.2
119.09426	5.7
121.02874	10.6
121.06509	35.4
121.10146	68.3
123.04457	19.2
123.08088	14.8
123.11724	21.4
125.06000	6.3
125.09636	20.2
127.03937	14.4
128.06229	12.6
129.06993	20.9
131.04932	28.1
131.08568	45.8
132.05724	5.7
133.06493	22.6
133.10129	57.9
135.04437	13.6
135.08040	20.6
135.11700	50.4
137.05984	57.0
137.09633	12.5
137.13235	6.3
139.11151	4.6
141.06999	10.1
142.07808	7.2
143.08569	24.5
144.05724	5.4
145.06451	22.4
145.10126	57.2
146.06001	3.7
147.04424	13.1
147.06288	4.3
147.08069	14.8
147.11696	46.5
148.05203	4.8
149.05983	63.0
149.09607	18.5
149.13284	23.8
151.03931	8.7
151.07515	36.2
151.11150	9.7
153.12796	9.7
155.08560	7.6
156.09256	3.3
157.10147	28.7
159.08044	18.0
159.11679	46.1
160.05197	4.2
161.06024	32.7
161.09607	17.3
161.13242	28.4
163.03963	6.5
163.07570	52.8
163.11157	27.5
163.14795	16.0
164.08351	28.8
165.05608	5.9
165.07037	5.0
165.09105	47.5
165.12727	4.9
167.07062	14.1
167.08398	4.5
167.14348	3.5
167.62201	4.0
169.06532	3.8
169.10146	7.3
171.08041	11.0
171.11685	18.8
173.06009	7.5
173.09633	16.3
173.13229	41.5
174.06856	4.1
175.03920	9.8
175.07596	20.7
175.11205	14.6
175.14825	30.5
177.09200	9.2
177.12737	8.7
177.16412	8.2
179.07094	8.4
179.10739	4.1
179.14316	4.6
181.04985	12.3
181.08632	23.9
181.12187	7.1
183.11710	11.2
185.06042	5.0
185.09634	4.6
185.13280	18.0
187.07579	12.1
187.11252	3.9
187.14798	21.7
188.08243	3.8
189.05450	9.7
189.09132	21.7
189.10901	3.6
189.12785	9.9
189.16377	23.2
191.07013	9.6
191.10725	12.2
191.14287	9.4
191.17932	26.5
193.12221	20.1
195.11690	3.8
197.13316	9.5
199.07607	6.6
199.11198	4.0
199.14847	11.2
201.09114	7.8
201.12732	9.7
201.16397	21.2
203.06941	3.8
203.10756	10.6
203.14305	36.8
203.18022	10.0
205.08687	5.1
205.12271	8.3
205.15961	12.6
207.08308	3.7
207.14102	3.9
207.17464	14.6
208.78520	3.4
209.11736	10.5
211.11183	4.3
211.14870	5.4
213.09094	4.0
213.16417	7.3
215.14331	7.2
215.17920	9.1
217.12274	4.2
217.15894	7.0
217.19472	5.6
219.13799	6.8
219.17474	4.6
221.15359	8.1
225.09163	9.5
227.10768	7.0
227.12634	20.9
229.12201	7.1
229.16252	4.8
231.13863	16.1
231.17360	6.8
233.15393	8.2
234.08630	11.0
235.07593	4.4
235.11131	5.2
243.13841	4.0
247.13237	24.0
249.14944	5.2
253.08731	9.2
265.14322	6.9
270.08755	5.4
285.11194	8.1
289.14383	7.3
297.07861	4.1
297.11270	5.1
299.09375	4.2
299.12906	4.7
313.07065	4.8
313.10754	91.8
313.14276	13.5
314.10977	6.9
323.08163	3.4
325.14398	6.1
331.11859	7.4
355.22638	5.0
365.20990	7.5
383.22156	35.9
387.17828	4.0
393.31650	13.2
394.31366	3.5
401.23398	14.9
411.32556	15.8
421.31177	7.3
439.31982	22.3
457.15207	20.7
457.25903	20.9
457.33179	32.8
472.97131	3.4
475.15076	25.3
475.26929	69.4
475.34021	62.6
476.27759	6.4
476.34277	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	475.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.3
54.15672	0.7
55.01869	1.5
55.05505	3.0
57.07078	5.7
61.02914	1.3
61.83910	0.7
65.03932	2.5
65.09604	0.7
66.04679	0.8
66.94515	0.7
67.05508	5.1
69.03418	1.6
69.07089	3.5
71.01328	1.0
71.04986	1.3
71.08632	0.9
77.19623	0.7
79.05499	7.0
81.03417	1.7
81.07054	8.6
83.04982	2.9
83.08605	1.6
85.02894	1.0
85.06548	3.1
91.03970	0.9
91.05478	33.5
93.07047	6.8
94.04176	4.3
95.04968	8.0
95.08611	9.7
97.02859	0.9
97.06528	1.4
97.10180	2.4
98.23373	1.4
99.04453	1.1
103.05466	15.7
105.04530	0.8
105.07033	23.8
107.04941	3.9
107.08590	10.2
109.06514	4.6
109.10174	4.9
109.10768	0.8
111.08112	1.2
115.05460	2.8
117.07016	2.4
119.04947	18.1
119.08611	6.6
121.06508	1.9
121.10152	8.4
122.03644	9.8
123.04446	1.8
123.08067	2.6
123.11703	3.0
125.05976	1.3
125.09618	1.3
127.07558	1.4
128.06238	4.2
129.07014	4.6
131.04912	8.3
131.08586	3.7
133.06494	12.5
133.10101	5.0
135.08028	1.5
135.11696	5.4
136.05232	2.7
137.05980	100.0
137.09595	2.1
138.06303	2.9
139.11163	1.7
141.06987	2.1
142.07822	1.0
143.04880	1.2
143.08580	4.9
144.05711	1.1
145.06517	3.7
145.10123	2.2
147.04416	2.9
147.08043	1.3
147.11676	3.2
148.05177	3.7
149.05978	4.7
149.09659	1.0
149.13274	2.9
151.03970	1.7
151.07544	74.2
152.07906	1.9
152.47574	0.9
153.01843	1.2
153.07004	1.7
155.08517	1.4
157.06514	2.4
157.10172	2.0
159.08054	3.1
159.11714	2.4
161.05963	6.6
161.09618	1.7
161.13239	2.8
163.07533	14.7
163.14838	1.5
164.08261	1.6
165.07016	1.6
165.09113	31.6
166.07840	1.8
166.09415	1.5
167.07080	0.8
167.08524	0.9
169.06532	2.0
171.08047	4.8
173.05983	1.4
173.09558	1.6
173.13275	2.3
174.06738	2.2
175.07552	5.5
175.14877	2.9
177.09103	2.5
177.12790	1.3
177.81583	0.8
179.08595	1.5
179.10612	0.9
181.06485	1.7
181.10098	2.8
183.08041	1.5
185.09662	0.9
185.13168	1.0
187.07567	6.6
187.14871	1.1
188.08388	1.0
189.09096	14.6
189.16394	1.3
191.07071	1.3
191.08656	0.9
191.10652	1.0
191.14316	1.6
191.17920	1.4
195.08107	2.2
198.06837	1.3
199.07550	2.6
199.11299	0.9
199.14857	1.1
201.09180	1.6
201.16429	1.1
203.10698	5.1
203.18018	1.0
205.08508	0.8
205.10201	0.9
207.08054	1.3
209.08041	3.1
209.09700	2.8
210.06749	1.1
212.08279	2.3
213.09111	2.5
215.06841	1.1
215.08711	1.1
215.10628	1.3
215.14352	0.8
217.15903	1.4
218.07283	0.9
221.11639	1.1
221.34666	0.8
223.07578	1.1
225.09155	1.1
227.07021	1.9
227.10648	9.0
233.09723	1.4
235.07497	1.2
235.13232	1.1
235.16968	1.5
236.08430	1.4
237.09122	1.4
237.11258	1.3
237.14893	2.9
244.08998	0.8
249.05779	0.8
249.09079	1.4
249.15071	1.4
251.06987	1.2
251.10651	1.2
253.08618	1.4
255.06485	1.7
257.08334	0.9
257.11597	1.0
258.10587	1.7
260.17737	0.8
261.09073	2.3
265.08588	1.2
265.12158	1.0
267.10117	2.8
269.08160	2.6
270.08771	4.2
273.12582	3.6
275.10577	2.6
275.13132	1.4
277.08707	0.9
279.10217	2.2
281.11661	1.8
282.08740	1.1
283.09738	1.1
283.13239	1.6
284.10400	1.2
285.11200	5.0
285.14017	0.8
290.09268	1.0
290.12964	1.6
293.11758	2.0
295.09766	2.0
296.10394	1.0
297.11270	2.7
297.25714	1.1
299.12845	3.7
301.12122	2.6
303.10181	2.8
304.10922	1.8
305.11963	1.4
305.15115	1.5
310.11868	1.8
311.12866	9.3
313.27454	1.7
318.12350	4.6
319.13062	1.7
325.14322	1.1
327.10260	0.9
333.14746	11.2
337.14435	1.1
338.14883	1.0
351.15872	9.9
355.18967	1.1
369.24216	2.0
382.77991	0.9
411.25156	2.2
429.26297	11.9
430.26367	0.9
434.17288	8.2
439.24738	2.5
439.31308	1.2
446.17511	1.2
457.25934	3.3
457.32889	2.3
458.33789	0.9
475.21057	14.7
475.26923	1.5
476.21390	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.9
52.76425	0.6
53.03933	1.8
53.53399	0.6
55.01866	2.9
55.05509	4.2
57.03441	3.3
57.07074	4.5
58.06598	9.6
59.06912	2.2
59.07385	3.4
59.47371	0.6
60.08168	2.9
61.02917	4.2
61.08478	0.9
62.61924	0.6
65.03931	3.6
67.05496	7.7
69.03426	3.4
69.07075	6.1
69.38805	1.3
69.39210	3.1
70.62457	0.6
71.01331	0.7
71.08630	2.6
73.02907	2.2
75.04475	1.0
76.37349	0.6
77.03935	0.5
79.05490	12.6
80.05827	0.8
81.03409	1.8
81.07050	13.2
82.07374	0.9
83.04977	1.3
83.08627	3.5
85.02897	4.6
85.06529	0.7
85.10155	1.4
87.04460	1.7
91.03953	2.4
91.05476	31.7
93.03391	0.8
93.07046	10.1
94.04179	4.8
94.07363	1.2
95.04976	6.0
95.08610	10.9
96.08929	0.7
97.02898	3.0
97.06530	1.9
97.10162	2.1
99.08077	0.9
103.05458	18.2
105.04539	0.9
105.07026	33.5
105.55195	0.6
106.07377	1.3
107.04945	4.7
107.08594	6.7
109.02857	1.4
109.06507	4.3
109.10153	5.2
111.08068	1.5
111.11694	0.8
113.06007	0.7
115.05450	4.8
117.07014	3.4
119.04932	16.3
119.08556	5.0
121.06490	2.4
121.10133	9.7
122.03633	9.0
122.10500	0.7
123.04441	1.7
123.08091	1.9
123.11712	2.1
124.05209	1.2
125.09621	2.2
127.03943	1.3
128.06236	4.9
129.07036	5.9
131.04933	11.6
131.07072	0.6
131.08562	3.6
133.06483	22.8
133.07486	1.5
133.10132	3.4
134.06819	0.8
135.04375	0.9
135.08060	2.6
135.11694	2.8
136.05205	2.2
137.05971	100.0
137.13206	0.9
138.06320	2.9
139.11189	1.2
141.06992	2.4
143.04910	1.8
143.08559	4.2
144.05708	1.3
144.10173	1.7
145.02921	1.4
145.06445	4.3
145.10075	3.2
147.04399	2.5
147.08049	1.7
147.11716	3.1
148.05139	1.6
149.05992	3.6
149.09625	0.9
149.13292	2.0
151.03882	2.2
151.07533	67.2
152.06206	1.1
152.07916	1.9
153.06987	0.9
155.08539	1.5
157.06516	3.5
157.10069	1.7
159.04378	0.7
159.08043	2.6
159.11720	2.6
160.05211	1.4
161.05969	5.8
161.13249	2.4
162.11220	0.8
163.07539	14.4
163.11235	1.0
163.14763	1.0
164.08231	2.7
165.06934	1.4
165.09105	52.2
166.07806	1.7
166.09418	1.7
167.08597	1.4
167.10674	1.9
169.06534	1.4
171.08018	5.4
171.11690	1.7
173.05969	1.9
173.09570	0.7
173.13272	1.4
174.06775	3.9
175.07532	5.7
177.05476	3.8
177.09120	2.4
178.07811	0.7
179.14345	0.6
181.06517	1.7
181.10069	3.5
183.08070	1.3
185.05974	0.7
185.09654	1.0
185.13261	0.8
186.06734	1.6
187.07532	6.6
187.14848	1.4
188.08290	1.1
189.09081	15.1
189.12750	1.1
189.16472	1.2
191.10561	1.2
191.14185	0.7
194.07249	0.7
195.08058	2.2
197.09656	0.9
198.06766	2.5
199.07568	3.3
199.14883	0.7
201.09196	3.2
201.16370	1.3
203.10686	6.7
207.07999	1.4
207.13751	1.5
209.09645	4.0
211.07552	0.9
211.14874	0.7
212.08310	1.8
213.09111	2.5
215.08646	1.0
216.09213	0.7
221.05797	0.8
224.08298	1.4
225.09062	1.2
227.07033	1.6
227.10677	13.1
231.17453	0.7
233.09627	1.5
233.15321	0.6
235.07462	2.4
236.14877	8.7
237.15240	12.7
238.15422	13.5
239.07022	0.7
239.10641	1.2
239.15750	3.8
239.23708	1.9
241.08690	1.0
245.09663	1.8
249.09210	0.9
249.18571	1.0
251.06935	0.7
251.10716	1.5
255.06499	2.7
256.07129	0.7
258.10474	1.3
261.09116	3.3
262.09610	0.8
263.10641	0.9
264.07919	0.8
265.08624	1.0
267.10168	2.7
269.08105	1.7
269.22595	0.9
270.08859	4.9
273.09094	0.9
273.12759	2.7
274.81873	0.6
275.10629	2.0
276.11533	0.7
277.08640	1.4
278.09213	0.8
279.10141	1.7
281.11755	1.4
283.09866	1.2
285.11212	5.2
287.10657	1.5
289.08524	1.1
291.10278	0.9
291.13483	0.8
293.11600	2.4
295.09573	1.8
296.10397	0.8
297.11319	1.1
299.12692	3.1
301.12146	2.4
303.10294	1.0
304.11035	3.1
305.11670	2.3
305.15106	1.0
307.09723	1.3
309.11176	1.2
310.11975	2.4
311.12695	5.9
313.27332	7.3
318.12482	1.5
319.13254	2.6
322.11771	1.0
323.12802	1.0
325.14398	2.2
333.14722	6.6
337.14426	1.2
341.11862	0.7
351.15881	17.1
352.16068	1.8
411.32529	0.9
419.14798	0.8
421.30865	0.9
429.33817	1.3
434.17276	10.0
435.17581	1.0
439.36258	1.0
456.35873	3.8
457.36972	5.6
474.36942	9.8
475.21063	12.4
475.28409	5.4
475.37457	11.5
476.21570	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.4
52.43116	0.4
53.03954	1.0
55.01869	1.0
55.05508	1.5
57.07069	0.7
58.06581	0.4
65.03936	2.4
66.04709	0.8
67.05499	3.2
69.03414	0.6
69.07057	1.9
69.16741	3.3
71.05000	0.5
76.56455	0.4
77.78461	0.4
79.05501	4.2
80.05868	0.4
81.07053	5.0
83.04993	0.8
83.08605	1.2
84.43137	0.4
85.06551	1.0
91.05479	37.4
92.05811	1.1
93.07050	3.9
94.04195	4.9
95.04972	4.7
95.08618	4.9
97.06532	0.8
97.10181	0.6
98.22557	0.9
99.08093	0.7
103.05467	8.0
105.04473	0.4
105.07021	8.3
107.04996	1.9
107.08595	4.7
108.08914	0.7
109.06533	1.9
109.10137	2.9
110.03651	0.4
111.08085	0.4
115.05461	1.6
117.07024	1.7
119.04941	23.3
119.08586	4.7
121.06509	1.2
121.10138	3.9
122.03639	11.1
123.04449	1.0
123.08070	1.1
123.11711	1.2
125.09619	1.3
127.11177	0.7
128.06229	1.8
129.06999	2.7
131.04918	4.3
131.08572	2.4
133.06497	3.8
133.10130	4.6
135.04428	0.6
135.08078	0.7
135.11678	1.7
136.05197	2.8
137.05975	100.0
137.13242	0.4
138.06296	2.8
141.06996	0.7
142.07774	0.5
143.04945	0.6
143.08575	2.4
143.10716	0.6
145.06482	1.3
145.10114	1.6
147.04359	0.6
147.08012	0.9
147.11679	3.6
148.05168	1.0
149.06036	2.4
149.09602	0.5
149.13239	1.3
151.07538	98.0
152.07903	2.6
153.06909	0.7
153.09169	0.5
155.08578	0.8
156.09306	0.8
157.06496	0.9
157.10072	1.5
159.08060	3.0
159.11679	1.9
161.05957	4.0
161.09602	0.6
161.13272	1.9
163.07518	6.2
163.14751	0.6
164.08354	1.0
165.06985	1.0
165.09113	15.0
166.07774	1.5
167.04959	0.5
169.06525	0.9
169.10060	0.8
171.08052	1.8
171.11681	1.2
173.05913	0.6
173.13298	0.6
174.06725	0.6
175.07545	3.4
175.14890	0.8
177.09126	0.5
178.07918	0.4
179.08516	1.0
181.06497	0.7
181.10158	2.4
183.11717	0.6
184.08842	0.4
187.07526	5.3
187.14922	1.1
188.08304	2.2
189.09084	2.4
189.16380	2.0
193.10048	0.5
195.07996	0.8
197.09634	0.4
199.11180	0.8
201.09119	1.1
201.16409	0.9
203.08731	0.7
203.10622	3.9
203.14310	0.6
207.08124	0.9
207.13794	0.6
209.09605	3.2
212.08330	2.0
213.09027	0.6
215.08604	0.7
218.07329	0.5
221.09613	0.8
224.08275	0.9
227.07040	0.6
227.10654	5.3
228.10896	0.6
230.10976	1.2
231.08075	0.4
232.08899	0.5
233.09546	1.3
235.07486	1.8
235.16930	3.8
237.09064	0.4
238.09897	0.6
238.15469	0.4
239.10600	1.5
243.08032	0.5
245.13246	0.8
247.07605	0.6
247.11156	1.2
248.08354	0.4
249.09128	0.6
251.06958	0.8
251.10547	0.7
257.11823	0.6
258.10382	2.3
259.11246	0.6
260.08325	0.6
261.09109	1.7
264.07687	0.6
267.10150	1.8
269.08160	0.9
270.08777	1.0
271.07376	0.5
272.11942	0.7
273.12735	6.2
275.10654	6.0
276.11154	0.6
277.08557	0.5
279.10077	1.4
281.08914	0.4
281.11600	2.0
282.08878	0.6
283.09479	0.6
285.11292	5.6
286.09686	0.6
287.10602	0.7
289.11911	0.5
290.12982	1.2
293.11661	0.9
296.10565	0.7
299.12802	5.2
300.11310	0.6
301.12335	3.8
302.12848	0.9
303.10208	3.4
303.13528	0.8
304.10855	0.8
305.11700	0.8
305.15250	1.8
307.09451	1.0
309.11108	1.0
311.12881	2.7
315.13718	1.3
318.12494	9.9
319.13019	1.4
322.11884	0.6
323.12646	0.5
325.14273	0.9
333.14847	18.6
334.15164	1.6
338.15387	0.7
339.15796	0.9
351.15924	7.1
369.10571	0.5
393.31052	0.5
411.32504	0.8
434.17267	0.6
439.35574	1.8
446.17166	0.5
457.37598	3.3
474.36887	0.8
475.21255	11.8
475.28012	1.7
475.33392	0.7
476.21262	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.7
55.01872	0.9
55.05503	1.4
57.03419	0.6
57.07064	1.3
58.03191	0.4
59.05001	0.4
61.32308	0.3
65.03934	3.1
66.04707	0.7
67.05508	3.7
69.03409	0.6
69.07075	2.5
69.12373	2.5
69.12787	0.8
71.04990	1.3
71.33497	0.3
77.03917	0.4
79.05493	4.7
81.03419	0.3
81.07056	5.8
82.36292	0.3
83.04992	0.6
83.08617	1.0
85.06515	0.9
91.05482	37.2
91.51823	0.3
92.05805	0.9
93.07050	4.7
94.04188	5.7
95.04975	5.6
95.08607	5.9
96.08947	0.4
97.06527	0.7
97.10185	1.0
99.08102	0.7
103.05471	9.3
105.04495	0.5
105.07032	7.7
106.07370	0.4
107.04964	1.9
107.08597	5.0
109.06503	1.7
109.10163	3.7
111.08096	0.9
113.06000	0.4
115.05466	1.6
117.07023	1.0
119.04947	22.7
119.08569	4.3
121.02816	0.3
121.06526	1.4
121.10155	4.5
122.03647	11.7
123.04415	1.1
123.08083	1.4
123.11703	1.0
125.05990	0.4
125.09631	0.4
127.03922	1.5
127.33365	0.4
128.06197	3.0
129.06985	1.4
131.04932	4.6
131.08577	1.8
133.06482	3.5
133.10146	3.2
135.04404	0.5
135.08057	1.0
135.11699	3.2
136.05208	3.0
137.05977	100.0
137.13173	0.4
138.06323	2.7
139.07565	0.5
139.11163	1.0
141.06984	1.0
143.04939	0.5
143.08572	2.8
145.06506	1.2
145.10138	2.4
147.04404	0.5
147.08046	1.3
147.11707	2.5
148.05193	0.9
149.05997	2.2
149.09583	0.7
149.13264	1.4
151.03946	1.3
151.07542	96.4
152.07875	3.3
153.01828	7.9
153.06982	0.5
153.09132	0.4
155.08554	0.5
156.09296	0.8
157.06459	1.0
157.10112	0.9
159.08049	2.6
159.10510	0.4
159.11691	1.9
160.05368	0.4
161.05984	4.5
161.09587	0.7
161.13277	2.0
163.07559	7.2
163.14848	1.2
164.08322	1.1
165.06989	1.5
165.09113	13.1
166.07831	1.4
166.09416	0.5
167.10587	0.5
169.06467	0.7
169.10129	0.7
171.08080	2.2
171.11711	1.4
173.06059	0.5
173.09521	0.4
173.13261	1.0
174.06726	0.4
175.07520	3.7
175.11156	0.5
175.14824	1.2
177.09137	0.7
179.08556	0.9
181.06512	0.6
181.10132	2.3
183.11691	0.6
184.08868	0.4
185.06006	0.6
185.13261	0.7
187.07538	6.6
187.14845	1.3
188.08313	1.4
189.09093	3.0
189.12756	0.8
189.16351	2.2
190.07869	0.4
191.10713	0.6
191.14279	2.6
193.08589	0.7
193.10139	0.5
195.08043	0.5
197.05968	0.5
197.09641	0.4
198.06813	0.6
199.07639	0.6
199.11217	0.9
199.14799	0.5
201.09137	1.5
201.16382	0.9
203.10675	3.9
203.14413	0.6
203.17987	2.2
205.10188	0.5
207.06516	0.6
207.08186	0.8
207.13924	0.4
207.17435	0.8
209.09618	2.9
212.08298	1.8
213.09224	0.8
215.08691	0.9
215.10699	0.4
217.12242	0.8
218.07292	0.4
221.08109	1.5
221.09917	0.5
221.18912	0.5
223.07646	0.8
224.08366	0.7
225.09146	0.7
227.10684	5.8
228.11264	0.4
229.10095	0.5
230.10986	1.0
231.13966	0.5
232.08810	0.6
233.09564	1.3
233.15372	0.6
235.07561	1.5
235.13226	0.5
237.14871	2.1
238.06119	0.4
239.08984	6.4
247.11285	1.2
249.09187	0.7
251.07039	0.7
252.07915	0.4
252.45120	0.4
254.09404	0.4
257.09705	0.5
258.10443	2.1
261.09152	1.5
263.12842	2.9
267.06708	0.3
267.10193	1.8
269.08142	1.1
270.08835	1.0
272.12027	1.0
273.12726	4.9
275.10657	5.1
276.11276	0.7
277.08597	0.6
277.14340	3.8
279.10162	1.6
280.10895	0.4
281.08377	0.7
281.11774	1.8
282.08896	0.7
283.09698	1.1
283.13394	0.4
285.11301	6.1
287.10626	0.8
289.08731	0.7
289.12115	0.5
290.09708	0.4
290.13034	1.2
293.08228	0.4
293.11560	0.8
295.09732	0.5
297.11203	0.9
299.12845	4.7
301.12225	4.4
302.12909	0.5
303.10205	4.2
303.13608	0.7
304.10916	0.6
305.12064	0.6
305.15378	1.6
307.09607	0.9
309.11163	0.8
311.12686	3.6
315.10495	0.4
315.13861	1.4
316.14511	0.5
318.12524	10.8
319.13177	1.2
322.12094	0.4
333.14841	19.3
334.15274	1.5
336.13690	0.5
337.14343	0.6
339.15900	1.2
351.15863	7.8
352.16522	0.7
373.27319	1.7
423.32700	0.6
429.33673	4.9
430.33716	0.5
431.15335	0.4
439.32190	1.1
441.33517	1.2
446.17450	0.8
457.22043	1.0
457.32645	3.9
475.21161	13.3
475.28156	1.6
475.35123	2.1
476.21442	1.2
485.43286	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.3
53.03947	2.2
55.01868	4.0
55.05503	4.7
57.03435	1.5
57.07067	1.5
59.05000	1.7
63.26996	1.1
65.03942	2.3
67.05510	10.0
69.03417	1.9
69.07053	7.1
69.33395	5.6
69.33817	1.9
71.04976	2.2
77.03944	1.6
79.05482	12.6
81.07051	15.4
83.04989	1.4
83.08620	3.3
85.06522	2.4
91.05472	28.9
93.07037	13.5
94.04175	3.2
95.04953	5.9
95.08607	15.3
97.06538	1.8
98.23338	2.1
103.05464	22.3
104.06261	1.4
105.07033	20.6
107.04943	13.3
107.08588	13.2
108.08940	1.1
109.06483	5.2
109.10149	8.1
111.08100	1.7
114.67730	1.1
115.05421	5.2
117.07027	5.1
119.04946	12.7
119.08578	10.6
121.06509	3.9
121.10146	11.9
122.03644	7.9
123.04431	3.2
123.08040	2.4
123.11682	4.3
125.09604	1.9
127.11114	1.1
128.06261	3.6
129.06996	5.9
131.04927	16.4
131.08557	6.9
133.06477	13.3
133.10115	8.8
134.10445	1.4
135.04437	1.3
135.08040	5.4
135.11679	7.0
136.05127	1.8
137.05972	100.0
137.13196	1.2
138.06326	2.8
141.06978	4.9
143.04921	1.2
143.08566	6.3
144.05667	1.6
145.06468	4.8
145.10110	6.3
147.04411	8.9
147.08080	3.0
147.11673	6.0
148.05203	1.3
149.05983	13.6
149.09557	2.4
149.13254	3.5
151.03931	4.2
151.07538	55.2
151.11079	1.2
152.07970	1.6
153.06985	1.7
155.08601	1.6
157.06480	3.3
157.10141	3.1
159.08067	10.6
159.11665	4.9
161.05994	8.8
161.09608	1.4
161.13246	4.5
163.07544	32.5
163.11099	1.1
163.14859	1.9
164.08330	16.3
165.06961	1.9
165.09108	21.5
165.12682	1.3
166.07756	2.2
167.08536	1.5
169.06442	1.8
169.10262	1.1
171.08054	5.1
171.11601	2.5
173.06023	1.8
173.13283	4.2
174.06787	3.3
175.07491	6.0
175.14786	2.2
177.05544	1.3
177.09045	5.3
177.12726	1.5
177.16389	1.6
181.06494	3.6
183.08109	2.3
183.11702	1.4
185.09570	1.7
185.13214	2.1
187.07545	17.7
187.14792	3.5
188.08279	1.6
189.09074	13.8
189.12769	2.0
189.16400	2.5
190.07826	1.7
191.14374	1.3
194.07314	1.4
197.13399	1.2
198.06743	2.2
199.07599	5.4
199.11082	1.7
199.14886	2.2
201.09125	3.0
201.16412	2.3
203.10660	4.1
203.17958	2.2
204.11018	1.3
205.06497	1.6
205.10149	1.7
209.05966	2.9
209.09645	3.1
210.06834	2.3
211.07501	3.3
211.14862	1.7
212.08324	2.6
213.05405	1.7
213.08983	1.2
213.16411	1.1
219.07959	2.0
221.05914	1.7
223.07675	1.4
223.11119	1.5
225.09073	1.7
225.16360	1.4
227.07086	12.1
227.10657	12.0
231.13589	1.6
231.17349	1.2
233.09642	4.1
235.07547	2.8
235.11168	1.5
236.08167	1.8
237.05518	2.2
237.09082	1.4
239.06979	4.4
239.10686	1.5
241.04865	2.0
241.08517	2.6
247.07393	1.2
249.18541	1.5
250.06258	1.5
251.07037	2.5
251.10713	2.2
252.07819	3.0
253.08534	3.0
254.09236	5.7
255.06500	16.5
255.09212	1.5
256.07352	9.4
261.09067	4.8
263.06982	1.2
263.10657	2.5
265.08469	2.4
267.10138	2.2
268.07547	1.3
268.10559	1.2
269.08017	5.9
270.08847	59.0
271.09299	3.6
275.10724	1.6
277.08847	1.7
279.10004	5.6
280.10672	2.6
281.08173	2.1
281.11642	1.3
282.09058	1.4
283.09622	3.1
283.13345	4.2
285.11185	4.3
293.11594	6.3
295.09933	2.0
295.13284	3.0
296.10391	2.8
297.11206	12.6
299.12912	3.8
303.19131	1.1
307.09616	1.8
310.11890	5.9
311.12735	26.6
312.13382	1.8
322.12012	1.7
323.12625	1.9
325.14313	1.9
333.14835	3.0
335.25757	9.6
337.14328	9.8
351.15836	19.7
352.16125	2.2
377.62430	1.3
419.15024	1.7
421.31085	1.3
434.17224	19.0
435.17560	2.6
439.31540	1.4
440.32376	1.5
457.32922	3.6
475.21063	9.5
475.28207	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68703	0.6
53.03940	1.5
54.21675	0.6
55.01856	2.5
55.05491	3.2
57.07064	1.0
65.03919	2.3
66.04720	1.4
67.05505	6.7
69.03412	1.5
69.07066	4.9
69.13388	5.2
71.04989	1.0
72.47984	0.6
75.39336	0.5
77.03908	0.6
79.05489	6.6
81.07051	10.2
83.04955	1.3
83.08611	2.0
83.71696	0.6
85.06541	1.0
89.03922	1.1
91.05479	31.7
92.05819	1.0
93.07028	6.8
94.04195	4.0
95.04980	5.1
95.08092	0.9
95.08611	9.8
97.06523	1.9
97.10163	1.1
99.08088	0.9
102.04739	0.7
103.05460	20.2
104.06259	1.2
105.04543	0.8
105.06357	0.6
105.07032	10.2
107.04941	9.3
107.08579	6.7
107.68970	0.6
109.06503	2.5
109.10159	5.8
110.10500	0.8
111.08080	1.2
111.11676	0.8
115.05437	4.7
116.06229	1.9
117.03380	1.1
117.07022	4.2
119.04932	16.1
119.08576	4.9
121.06549	1.4
121.10135	7.4
122.03646	9.0
123.04414	2.2
123.08074	1.9
123.11693	2.3
124.05190	0.8
125.09706	0.7
127.07468	0.6
127.74851	0.6
128.06197	3.4
129.07011	4.4
131.04912	14.0
131.08539	7.5
132.05710	1.1
133.06468	6.1
133.10126	4.6
134.10464	0.6
135.04391	1.3
135.08041	3.0
135.11668	3.5
136.05202	2.6
137.05971	100.0
137.13234	1.3
138.06334	2.3
139.11157	0.9
141.06979	4.2
142.07753	0.9
143.04948	0.9
143.08557	6.3
144.05685	2.3
145.06459	4.9
145.10100	4.3
147.04405	7.7
147.08049	1.0
147.11678	2.4
148.05161	1.9
149.05983	12.1
149.09634	1.5
149.13258	2.5
151.03934	7.5
151.07532	65.5
152.06116	0.8
152.07870	1.9
153.06999	1.1
155.08568	1.1
157.06477	2.5
157.10130	1.8
159.08037	14.4
159.11703	2.4
161.05997	6.0
161.13242	1.7
163.04025	0.8
163.07526	16.7
163.11168	1.1
163.14886	1.0
164.08353	11.0
165.07021	2.8
165.09099	12.1
166.07851	0.8
169.06473	2.3
169.10049	0.8
171.08022	7.4
171.11745	1.8
173.05994	1.0
173.09657	0.9
173.13243	1.9
175.07484	3.9
175.11191	0.8
175.14861	0.9
177.09128	3.5
177.12738	0.8
177.16278	0.9
179.07007	1.4
179.08577	1.4
181.06519	2.0
181.10114	2.1
182.07274	1.2
183.08080	1.1
183.11600	0.8
184.08717	0.9
185.09677	1.3
185.13258	1.5
187.07527	30.7
187.14836	2.2
188.08176	2.3
188.15126	0.8
189.09102	2.2
189.16415	1.4
190.07803	2.2
191.08621	0.7
191.10602	1.1
192.09377	0.8
194.07280	1.1
195.08046	2.5
195.11749	0.6
195.76820	0.6
197.09602	1.0
197.13237	0.8
198.06772	1.2
199.07530	2.7
199.11180	1.2
201.09137	2.4
201.16371	1.8
203.08647	1.4
203.10674	6.6
203.17990	0.6
204.09218	1.0
205.06531	1.4
205.10129	3.3
207.08092	2.0
208.08830	1.6
209.05991	1.1
209.09679	3.8
210.06636	1.1
211.07526	1.9
211.11206	0.8
212.08249	3.0
213.05312	0.9
213.09125	1.6
213.16469	0.8
215.08653	1.2
215.10587	0.7
218.07268	3.0
219.08080	1.6
220.08794	0.8
221.06000	0.9
221.09543	1.5
222.06613	1.4
222.10368	1.0
223.07565	2.3
223.11203	2.2
224.08322	1.6
225.09215	1.4
227.07112	3.3
227.10648	9.4
228.11040	0.8
229.15884	0.7
231.08009	0.7
232.08934	0.9
233.09569	6.6
233.15379	0.8
234.10274	0.8
235.07541	2.4
235.11215	1.6
236.08278	1.8
237.05508	0.9
237.09193	2.0
239.07083	2.6
240.07773	1.1
241.04939	0.7
241.08565	1.0
243.21056	0.7
245.09695	0.9
247.07446	1.4
248.08203	0.9
249.09132	1.0
250.06271	1.3
250.09941	2.0
251.07045	2.0
251.10695	4.6
252.07814	0.9
252.11334	0.8
253.08626	2.0
254.09355	2.9
255.06578	4.7
255.10027	0.7
256.07288	3.0
261.09094	6.7
261.22092	1.0
262.09839	1.3
263.07092	1.1
263.10666	2.2
264.07935	0.9
265.08728	1.2
265.12173	2.3
267.06625	1.3
267.10141	1.2
267.13889	1.2
268.07257	0.9
268.10852	1.0
269.08054	2.6
269.11688	2.4
270.08862	13.9
270.11783	0.8
273.12772	1.5
275.10709	2.0
276.11301	0.8
277.08655	1.1
278.09488	1.3
279.10135	12.3
279.23206	4.9
280.10904	1.2
281.08136	0.9
281.11728	0.7
282.08975	1.7
283.09695	2.8
283.13315	8.0
285.11179	3.8
290.09412	0.7
293.11716	3.4
294.12158	0.8
295.09714	1.2
295.13306	2.8
296.10437	2.1
297.11194	8.5
297.24338	1.2
298.11761	0.7
299.12753	1.7
301.12119	1.7
303.10144	1.1
305.11899	1.0
305.15210	1.0
307.09628	1.7
309.11307	0.8
310.11908	1.3
311.12750	27.7
312.13361	2.5
318.12561	2.9
319.13275	1.4
321.11237	1.2
322.11996	3.2
323.12796	0.8
325.14288	0.7
333.14813	4.7
335.25760	1.8
337.14337	7.0
338.14883	1.2
351.15884	22.3
352.16312	1.2
397.29523	0.7
434.17084	4.4
439.32132	2.2
446.17325	1.7
447.22086	0.7
457.32919	1.8
475.21136	25.7
475.27554	1.9
476.21368	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.0
55.01863	1.5
55.05503	1.8
57.07089	1.0
65.03933	2.5
66.04730	0.7
67.05508	4.1
67.05820	0.6
69.03442	0.9
69.07052	2.2
77.03908	0.8
79.05499	4.1
81.07063	5.7
83.08617	1.9
85.06535	0.7
91.05479	32.9
93.07037	4.1
94.04170	4.8
95.04975	5.1
95.08617	5.2
97.06536	1.3
97.10150	0.7
103.05465	21.5
104.06268	0.9
105.07033	7.6
107.04948	7.3
107.08598	4.0
109.06505	2.6
109.10160	2.9
111.08073	0.7
115.05448	4.6
116.06225	1.6
117.03355	1.0
117.06997	3.2
119.04942	17.2
119.08578	3.9
121.06503	3.5
121.10156	4.0
122.03650	10.0
123.04396	1.4
123.08067	0.7
123.11685	1.8
125.09622	0.8
128.06227	3.4
129.06984	4.4
131.04922	11.2
131.08577	7.4
132.05742	0.9
133.06485	5.2
133.10112	3.2
135.08055	1.5
135.11713	2.5
136.05196	2.4
137.05977	100.0
138.06291	4.2
141.07001	5.6
143.04959	0.9
143.08568	5.7
143.32741	0.6
144.05707	3.2
145.06516	5.0
145.10135	2.4
147.04408	4.6
147.07982	1.1
147.11737	1.9
148.05179	1.1
149.05988	13.4
149.09653	0.8
149.13248	1.8
151.03955	8.3
151.07539	66.5
152.07869	2.8
153.05496	1.4
153.07062	1.0
157.06502	1.3
157.10101	1.9
158.07332	0.9
159.08046	16.6
159.11720	1.7
161.05986	7.0
161.13283	1.5
163.07555	18.5
163.14787	1.3
164.08316	9.3
165.07025	1.5
165.09125	9.8
166.07794	2.2
167.08521	0.8
169.06483	2.6
169.10172	0.9
171.08064	6.0
171.11736	0.9
173.05965	1.2
173.09622	1.1
173.13313	1.2
174.06821	1.0
175.07555	3.3
175.14838	1.5
177.05490	0.7
177.09082	3.7
177.16397	1.0
178.07722	0.8
179.08539	1.1
181.06512	1.1
181.10110	2.1
182.07230	0.9
183.08081	1.5
183.60069	0.7
185.09569	1.3
185.13245	1.3
187.07541	34.8
187.14851	1.3
188.08185	3.1
189.07005	1.3
189.09113	2.2
190.07808	2.3
191.08575	0.8
191.10631	1.1
191.14217	0.7
194.07214	1.1
195.08041	2.0
197.06018	1.2
198.06804	1.0
199.07538	1.4
199.11269	1.1
201.09152	3.3
203.08763	1.5
203.10635	9.0
205.06618	0.8
205.10179	2.3
207.08064	2.5
208.08786	1.2
209.09636	5.0
210.06689	2.3
211.07536	1.4
212.08330	3.6
213.09055	2.5
215.08557	1.6
215.10570	1.4
218.07236	3.3
219.08035	1.6
220.08896	1.2
221.06035	0.7
221.09662	0.7
222.06743	1.6
222.12575	0.7
223.07570	2.3
223.11185	2.6
225.05374	0.8
225.09029	1.3
227.07045	0.8
227.10657	9.6
232.08792	0.9
233.09593	7.8
234.10086	0.7
235.07571	3.4
235.11183	1.7
236.08255	1.8
237.09084	2.5
239.07047	1.5
247.07576	1.1
247.11244	1.1
248.08260	0.9
250.06253	1.1
250.09909	1.9
251.06976	1.6
251.10661	5.8
253.08636	1.6
254.09337	1.8
261.09103	7.6
262.09848	1.1
263.07147	0.9
263.10739	2.2
264.07840	2.0
265.08600	2.3
265.12146	2.2
267.06494	0.7
267.10028	1.2
267.13922	1.1
268.10916	1.0
269.08228	1.2
269.11734	2.6
270.08978	1.4
273.12735	2.0
275.10699	2.5
278.09348	1.9
279.10135	13.1
280.10809	2.0
281.08154	1.1
282.08893	2.4
283.09732	2.9
283.13312	9.2
285.11224	4.0
293.11569	4.6
294.12589	0.9
295.09985	1.1
295.13327	2.3
296.10468	1.7
297.11282	7.8
299.12750	1.2
301.12238	2.3
303.10181	1.0
304.10950	1.2
305.11722	1.1
305.15134	0.9
307.09613	2.9
309.11288	1.4
311.12793	31.4
312.13269	3.3
318.12573	3.5
319.13174	1.7
321.11301	1.2
322.11963	2.5
323.12869	1.3
325.14294	1.2
333.14874	6.6
337.14328	5.9
338.15079	1.3
351.15897	22.7
352.16187	1.4
429.33374	1.8
439.31647	0.9
440.32584	1.4
446.17188	3.1
475.21097	33.0
475.26666	1.2
476.21744	2.3
487.42523	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03900	0.6
55.01825	0.7
55.05458	0.8
57.03381	0.6
57.07001	5.7
57.07308	0.9
59.04922	1.9
67.05424	3.1
67.71561	0.4
69.03349	1.4
69.03695	0.5
69.05289	3.9
69.06990	1.8
71.04915	2.0
79.05410	1.6
81.06976	2.4
83.01325	2.2
83.04931	0.9
83.79517	0.4
85.02854	0.5
85.06482	1.1
87.04371	1.9
91.05492	2.1
91.55119	0.4
93.06945	2.7
95.04874	1.3
95.08607	4.6
97.06513	2.6
98.85120	0.4
99.04399	0.8
99.51899	0.4
105.07007	2.3
107.04899	0.9
107.08618	2.8
109.06396	1.1
109.10155	3.2
111.07969	1.4
113.06006	2.2
113.09577	0.8
117.06957	0.6
119.04890	0.7
119.08487	1.7
121.06513	2.5
121.10146	5.1
123.04356	0.6
123.08063	2.5
123.11599	1.0
125.05873	1.0
125.09545	0.9
127.03914	8.8
129.06874	0.5
131.08449	1.3
133.06416	0.5
133.10010	1.3
135.04359	0.7
135.08052	2.3
135.11684	2.0
137.05872	0.6
137.09621	9.4
137.13203	0.6
139.03868	3.1
139.07477	0.5
139.11186	4.5
141.09016	1.2
143.08495	0.6
145.10062	0.4
147.07962	0.9
147.11589	0.9
149.09624	2.3
150.10364	0.6
151.07538	0.5
151.11176	3.0
152.11411	0.4
153.05478	3.3
153.06586	0.7
153.09061	0.6
153.12613	1.3
155.03389	22.0
155.10571	1.9
159.07939	1.5
161.05858	0.9
161.09500	1.3
163.02682	0.6
163.03891	8.2
163.07504	2.3
163.11122	1.1
165.05450	1.1
165.09123	2.9
167.03273	1.8
167.10672	3.0
169.04953	3.0
169.06181	0.8
171.11584	0.5
175.07430	0.5
177.05394	1.5
177.09009	2.1
179.03310	0.5
179.06975	0.5
179.10516	0.4
180.04137	0.5
181.04927	3.8
181.08546	1.1
181.12148	1.2
183.10172	17.9
187.07469	1.8
189.08998	0.9
190.06087	0.7
191.07045	15.4
191.10551	0.6
191.14194	0.5
192.07385	0.5
193.04938	1.0
194.05814	2.1
195.02817	0.9
195.10135	2.2
203.06969	0.7
205.08600	19.9
205.15746	0.6
206.08987	0.5
207.06415	1.9
207.10033	0.5
208.07291	4.6
209.04465	13.7
209.07996	5.1
209.15298	1.1
210.04709	0.5
215.06973	0.5
217.08546	1.5
219.06349	0.5
219.10031	1.4
221.08099	4.2
222.08739	1.1
223.09651	14.6
223.16907	0.5
224.10132	0.7
225.11150	0.9
233.08035	4.8
234.08774	0.7
235.09653	4.3
235.13164	0.5
237.07529	0.5
237.11237	5.5
237.14830	4.6
247.09663	0.7
249.14798	1.3
251.04726	4.9
251.09132	4.4
251.14035	0.6
251.16446	10.4
252.16682	0.5
257.11713	0.8
261.07462	2.2
261.10922	0.4
265.10718	5.0
266.10757	0.4
267.06436	0.5
271.13153	0.5
275.12683	1.7
277.14328	1.3
279.08536	0.5
285.11224	0.5
289.14200	1.6
291.15854	1.5
303.12238	1.4
305.13889	0.7
307.10861	1.3
317.13760	0.6
331.11719	1.0
356.52737	0.5
359.18588	0.9
363.17175	3.6
373.16812	0.5
387.18164	0.8
391.17490	55.5
392.17795	3.2
405.19073	100.0
406.19446	7.6
414.67273	0.5
475.23303	4.0
475.29410	0.5
475.33145	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99572	0.9
53.03939	1.0
53.48772	0.9
54.59250	1.1
54.91633	1.0
55.05510	3.0
57.07078	2.4
60.25652	0.9
67.05509	6.8
69.07074	2.3
69.34476	3.9
69.34877	2.3
71.05004	1.5
72.17092	1.2
79.05498	3.2
81.07044	7.5
83.01362	2.0
83.08620	2.2
85.06561	1.8
91.05483	4.1
93.07053	4.6
95.04987	3.2
95.08604	7.0
97.06554	4.1
97.10183	1.1
99.64532	1.1
103.55899	1.2
105.07051	3.1
107.04964	1.1
107.08596	6.4
109.06502	1.6
109.10170	2.4
113.06003	7.1
117.07085	1.6
118.02068	1.0
119.08587	3.8
121.06496	2.9
121.10143	3.9
123.08111	2.6
123.11704	1.7
125.09662	1.4
129.07001	1.2
131.08527	3.3
133.10132	3.2
135.08058	2.2
135.11699	2.9
137.05984	1.9
137.09540	1.2
145.02876	3.1
145.10164	3.1
147.11650	2.1
149.05963	1.6
151.07559	2.1
151.11227	1.2
153.09059	1.3
157.10170	1.4
159.11690	2.3
163.07547	3.2
165.09184	3.0
173.09618	1.1
175.07623	2.0
175.11162	1.3
177.05508	6.1
177.09105	4.7
179.07080	1.6
186.10310	1.1
187.11203	1.2
189.09203	1.3
191.07042	13.9
191.10779	2.0
192.07811	40.0
193.08551	4.4
194.09447	3.0
194.11508	3.4
201.12854	2.0
201.16354	1.2
205.08598	19.4
205.10440	1.6
205.12288	1.5
211.09689	1.6
217.08777	1.3
219.10179	2.1
219.13803	9.9
219.17288	1.3
221.08199	1.2
223.09613	1.7
225.11235	3.9
229.12251	1.8
232.10988	4.1
233.11769	1.8
237.11304	1.2
247.13303	41.9
248.13599	2.1
251.12857	3.3
264.54181	1.1
265.14346	100.0
266.14746	6.3
279.15897	2.5
317.21185	2.5
345.62576	1.1
475.34491	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23361	1.4
55.01872	1.7
55.05516	3.4
57.03436	1.6
57.07072	4.7
62.09959	1.4
64.24500	1.2
65.62227	1.3
67.05495	9.7
69.07074	4.7
69.14713	10.7
75.62807	1.5
75.78604	1.4
78.22159	1.4
79.05484	3.9
81.07067	7.5
83.01362	1.5
83.08639	2.2
85.06547	5.7
87.57092	1.3
88.96609	1.4
91.05489	6.1
92.03513	1.3
93.07050	5.0
93.56934	1.4
95.04972	2.3
95.08614	11.7
97.06528	2.9
97.10205	2.5
104.07099	2.9
105.07027	7.1
105.45901	1.5
107.08591	7.2
109.06559	3.7
109.10173	6.5
113.06010	1.7
117.07082	2.6
119.08606	4.9
121.06545	1.8
121.10146	3.4
123.08105	3.0
123.11736	3.3
125.09641	2.0
127.07561	2.2
129.07028	1.4
131.08611	1.7
133.10165	4.6
135.08090	2.9
135.11688	3.1
135.32416	1.4
137.06021	1.9
139.11189	1.5
141.09128	2.3
143.07104	1.4
143.08592	2.3
145.10126	3.8
147.08014	1.8
147.11684	3.7
149.09651	2.7
149.13205	1.7
151.07573	3.4
151.11160	2.1
157.10089	2.9
159.11786	1.7
161.09619	2.4
163.03873	2.6
163.07568	5.2
165.05199	1.6
167.03413	3.2
173.13344	2.4
175.07536	2.3
175.14862	4.3
177.05496	5.5
177.09134	8.4
179.07018	2.2
185.13303	1.8
191.07053	9.7
191.10687	1.7
192.07779	15.9
193.08665	3.4
199.14885	3.1
205.08615	20.9
205.12215	1.8
209.08157	4.2
211.09705	5.9
219.10201	5.2
219.13821	3.9
223.09695	5.3
225.11252	2.9
229.12306	2.0
237.11215	3.2
239.09192	3.3
247.13297	31.8
248.13757	2.5
265.14346	100.0
266.14703	3.3
339.13788	1.5
387.14975	1.8
439.36029	1.4
475.19553	2.1
475.34085	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2515
Annotation	Val Asn Asp Lys
Peak:m/z	Relative Intensity
53.03945	0.5
57.03434	1.3
61.02931	0.6
67.05499	1.0
69.03448	1.2
69.05188	0.8
69.05582	4.3
71.04998	6.5
76.00529	0.4
79.05499	0.7
81.03439	1.1
81.07061	1.2
83.04987	0.8
85.02909	9.6
86.03223	0.6
91.05462	0.8
93.07045	1.1
95.04961	0.8
95.08607	0.6
97.02917	0.8
98.22578	0.7
105.07048	1.2
107.04955	0.4
107.08589	0.6
109.02890	0.9
109.10218	0.5
111.04462	0.7
113.06014	0.5
117.05479	0.9
117.07076	0.8
119.08640	0.5
121.02936	0.9
121.10169	1.1
123.11700	0.5
127.03919	1.3
129.05470	3.3
137.06010	0.9
147.06526	1.8
151.07591	1.6
153.01822	0.6
161.06078	0.5
164.09178	0.5
165.09012	0.6
167.07074	0.6
177.05592	0.6
184.69888	0.5
192.03946	1.7
193.04846	0.7
196.09280	0.5
199.06110	0.5
205.08633	0.5
220.12206	0.5
313.20004	3.0
366.05841	0.5
475.12787	11.8
475.25195	100.0
476.12442	1.4
476.25580	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	475.269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.3
55.82750	0.6
57.03421	1.1
57.07072	2.8
58.63176	0.4
62.08381	0.5
63.24154	0.4
63.50998	0.4
66.22671	0.4
66.53647	0.4
67.05504	5.3
68.63743	0.5
69.07060	1.9
73.31158	0.5
79.05487	1.8
81.07050	3.2
83.01329	1.2
83.04971	0.7
83.08630	0.6
85.06544	7.5
91.05460	1.0
93.07048	2.7
93.07576	0.5
95.04955	0.5
95.08601	4.0
97.06516	1.2
97.10185	0.7
97.48183	0.5
98.98470	2.4
102.05495	0.6
104.07105	3.1
105.07024	0.9
107.08608	2.3
109.06520	1.9
109.10139	1.3
111.08117	0.6
119.08594	1.1
121.10142	3.9
123.04423	1.1
123.08039	0.7
125.09652	0.9
127.07572	1.9
131.08507	0.6
133.10138	0.8
135.08052	0.4
135.11687	1.7
137.00009	1.3
137.05983	9.0
137.09587	0.9
138.06331	0.5
139.03951	0.5
139.11209	0.7
141.05461	1.8
149.09616	1.1
151.07571	1.2
153.05486	3.7
153.12743	0.6
155.01022	1.2
161.09613	0.5
163.07545	0.9
163.11206	0.6
165.05463	6.0
165.09180	1.4
167.03377	0.8
167.10646	1.6
169.04964	20.3
170.05353	0.8
177.09146	1.0
179.06975	1.3
179.10648	3.1
183.06544	0.5
189.09074	0.9
192.07722	0.5
195.10120	1.0
205.08499	0.6
207.10175	12.3
208.10492	0.6
219.10229	0.7
225.11212	100.0
226.11543	4.6
229.15352	0.7
237.11235	0.6
240.15979	0.6
251.16396	6.8
253.31160	0.5
265.14359	0.6
279.15842	0.6
293.17435	0.6
329.13712	0.8
339.29016	1.0
357.16821	0.8
368.27936	0.6
457.26007	11.6
458.26080	1.3
475.22919	1.2
475.28824	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.3
56.35260	1.3
57.36059	1.1
61.52660	1.2
64.47433	1.3
67.05490	3.7
69.07064	4.1
69.16221	10.6
79.05497	2.1
81.07060	7.3
83.08620	1.9
89.03905	11.6
91.05469	3.1
93.07040	5.6
95.08590	8.4
98.98411	2.0
105.07034	3.9
106.95628	1.3
107.08586	4.6
109.10144	4.2
111.26070	1.2
113.09595	1.4
117.03374	22.8
119.08546	3.7
121.10139	4.3
123.11711	1.7
127.11190	2.4
131.08528	1.5
133.10068	3.2
134.03615	2.4
135.11703	3.8
135.27530	1.3
137.06012	1.7
141.09117	6.0
145.01675	2.3
145.02832	48.4
145.10066	1.6
146.03159	1.9
147.11693	2.1
149.05984	7.7
149.13223	1.9
152.41490	1.3
155.01015	2.1
159.11664	1.8
162.43900	1.2
163.11093	1.4
163.14764	1.6
165.05540	1.6
169.04958	5.2
169.30453	1.3
175.14734	1.9
177.05464	100.0
177.16331	1.7
178.05791	4.2
194.11519	27.1
195.11876	2.3
207.10167	2.6
215.13734	1.4
225.11240	17.8
232.03925	1.1
299.52417	1.2
439.35620	3.7
457.36823	1.7
475.27026	1.7
475.33072	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3056
Annotation	CHEBI:68039
Peak:m/z	Relative Intensity
51.40493	8.4
55.05505	17.2
62.08002	9.5
67.05518	49.5
69.03439	9.9
69.07054	32.6
70.09422	35.3
75.69765	9.1
79.05499	48.3
81.07055	61.2
83.08596	15.9
85.06525	21.7
91.05476	36.0
93.07054	74.9
95.04959	12.0
95.08603	97.3
97.06528	15.5
99.04485	10.0
105.07030	56.7
105.07635	8.7
107.08583	100.0
109.10149	83.2
111.08040	17.2
117.06996	10.4
119.08591	61.9
121.10146	67.4
123.08038	13.6
123.11684	21.9
124.20071	10.1
125.09627	26.9
127.11186	15.2
128.06326	9.6
131.08551	36.6
133.06534	11.5
133.10129	50.4
135.08069	21.7
135.11667	21.9
137.05942	15.2
143.08574	16.2
145.10129	47.9
147.08028	15.6
147.11639	37.4
149.09613	9.5
149.13268	37.1
151.07474	13.0
157.10143	37.6
157.13463	8.6
159.11693	34.0
161.06020	11.5
161.09531	12.0
161.13283	31.0
163.14766	14.3
165.09068	14.8
171.11705	26.1
173.09549	13.3
173.13210	24.9
175.11115	14.3
175.14836	37.2
177.12822	20.7
177.16411	11.3
181.05060	11.6
181.10109	10.7
183.11707	13.7
185.13222	27.1
187.14804	22.6
189.09209	12.0
189.12650	16.8
189.16394	14.5
197.13284	13.5
199.14803	26.0
203.14307	26.0
211.14705	12.9
213.12659	13.4
215.14322	16.3
217.15903	13.8
219.13824	11.9
241.15746	11.7
357.26212	9.8
357.55038	10.0
365.28229	46.3
393.27893	54.9
411.28955	54.6
475.34201	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	475.3057
Annotation	(+)-Ambruticin
Peak:m/z	Relative Intensity
51.02393	1.8
53.03939	1.9
55.01875	3.2
55.05517	9.9
57.03434	2.1
57.07084	1.6
65.03952	1.5
67.05501	13.6
67.18115	1.2
69.03415	2.5
69.07057	6.2
69.35618	8.4
71.04985	1.7
71.99679	1.1
79.05491	16.0
81.03424	14.9
81.07058	17.5
83.04988	3.1
83.08619	6.3
85.06535	2.4
91.05482	16.4
93.07044	21.8
95.04975	8.7
95.08601	16.3
97.02908	1.6
97.06511	2.7
97.10176	3.8
99.04487	1.3
99.08112	1.6
103.05463	3.2
105.04579	1.5
105.07027	19.6
107.04989	5.2
107.08592	22.6
109.02858	1.3
109.06532	2.7
109.10158	10.2
111.04440	1.8
111.08079	5.0
113.51048	1.2
115.05465	1.2
117.07020	7.2
119.04985	1.4
119.08577	20.5
121.06508	3.4
121.10145	11.8
123.04423	3.2
123.08045	3.0
123.11704	4.5
125.09570	2.1
128.06212	2.3
129.06999	4.2
131.04948	2.1
131.08546	7.7
133.06522	3.6
133.10132	38.2
134.10460	2.1
135.08092	3.5
135.11693	21.5
137.05977	8.9
137.09622	2.9
139.07596	1.4
141.07008	1.6
142.07727	1.5
143.08559	5.8
145.06467	2.2
145.10120	13.7
146.10547	1.0
147.08078	3.2
147.11705	9.9
149.06017	2.5
149.09637	2.9
149.13248	5.1
151.03850	1.1
151.07562	4.6
151.11191	5.5
153.12741	1.6
156.09280	1.1
157.10167	6.0
159.08069	3.3
159.11678	7.4
161.05994	4.8
161.09628	10.2
161.13254	3.4
163.07518	7.2
163.11201	10.3
163.14830	3.8
165.09096	7.3
169.06563	1.4
169.10127	3.4
171.08069	1.4
171.11699	5.5
173.09579	2.2
173.13170	2.3
175.07526	5.2
175.11234	2.7
175.14890	3.5
177.09138	3.1
177.12738	1.5
179.08536	1.3
179.09056	1.2
179.10655	9.8
181.12180	1.6
183.11769	2.8
185.13301	3.1
187.07545	2.6
187.11203	1.5
187.14801	1.9
189.09142	6.0
189.12732	2.7
189.16393	23.3
191.10695	2.7
193.12247	4.5
199.14766	1.4
201.09164	1.3
203.10675	1.5
205.12212	1.4
207.10168	4.6
207.15460	1.9
207.17424	31.0
207.19266	2.3
208.17792	1.7
211.14789	1.9
213.12674	1.3
215.17940	1.3
217.12352	1.3
217.15912	1.3
225.09041	1.3
225.16353	2.6
227.12741	14.9
231.13884	1.5
231.17574	1.6
243.13718	1.7
249.14835	1.9
257.15411	2.3
269.08115	2.5
269.15356	1.6
270.08875	13.0
277.76352	1.1
289.14407	2.7
293.20801	1.6
297.11227	1.4
298.08356	17.6
299.08783	1.4
299.12897	1.5
304.22733	1.3
311.12814	1.3
313.10696	100.0
314.11084	6.8
318.84293	1.4
326.15112	2.9
365.21243	2.3
365.28409	2.8
383.22229	9.7
383.29535	9.4
393.27786	2.1
401.23141	3.4
411.28818	4.9
421.30927	1.3
429.29974	10.4
430.30219	1.5
439.24664	1.1
439.32178	2.4
457.29547	87.9
458.29947	9.5
462.93231	1.3
475.20959	1.7
475.26700	17.9
475.33896	7.6
476.27719	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72474	4.3
53.03939	4.4
55.01868	6.7
55.05503	21.0
57.07055	4.4
59.86700	3.8
67.05503	61.3
69.07066	100.0
71.04987	12.3
71.11276	8.5
73.06545	11.4
79.05489	50.8
81.07050	88.1
82.07358	6.0
83.04961	6.6
83.08610	19.0
85.06544	9.4
91.05473	35.2
91.61606	4.0
93.07037	56.2
95.04942	5.3
95.08605	77.2
97.06526	31.8
97.10175	11.1
105.07024	49.5
107.08588	51.9
109.06487	8.5
109.10147	51.8
111.04454	4.9
111.08080	4.5
113.09599	5.8
115.07552	6.0
117.06993	8.6
119.08562	34.5
121.10126	46.4
123.04399	4.6
123.08048	8.1
123.11694	14.8
125.05981	38.9
125.09648	13.1
131.08556	19.9
133.10115	33.2
135.08096	5.7
135.11681	31.6
136.12009	5.8
137.05974	5.3
137.09624	9.3
137.13248	5.3
139.11237	4.4
143.07034	44.9
143.08507	11.0
143.10663	9.1
145.10106	30.3
147.11710	23.8
149.09622	12.9
149.13239	9.9
151.11229	4.0
157.10086	6.9
158.45482	5.2
159.11725	25.2
161.08154	9.7
161.09578	8.2
161.13272	19.9
163.07541	5.0
163.11205	8.7
163.14867	7.9
165.12759	5.3
171.11725	10.7
173.09605	5.1
173.11859	4.3
173.13274	15.9
175.11143	5.9
175.14799	17.2
175.35895	4.1
177.05505	5.7
177.12704	4.3
181.05002	4.2
185.13205	11.1
187.14778	11.5
189.12782	4.4
189.16402	10.4
191.17854	5.8
199.14743	4.9
201.16348	7.0
203.17957	7.9
215.17894	4.7
243.21165	5.2
261.22104	21.3
279.20309	2.8
279.23196	74.7
297.24164	29.8
298.24667	5.1
343.44946	5.7
367.88553	4.4
385.27405	5.8
397.30893	7.7
403.28391	36.3
421.24142	4.3
421.29419	20.7
422.30304	4.6
439.30750	7.6
439.36093	6.9
457.37534	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	475.3417
Annotation	CHEBI:69578
Peak:m/z	Relative Intensity
53.03945	2.6
55.01864	5.3
55.05499	12.7
55.59710	1.8
57.03426	2.5
57.07055	3.7
62.06090	11.1
67.05504	24.9
69.03432	3.1
69.05596	1.9
69.07064	19.2
69.48675	10.0
69.95538	1.9
71.04988	2.8
79.05486	21.4
81.07051	39.6
83.04966	4.2
83.08613	9.5
85.06543	4.4
91.05470	19.5
93.07038	46.2
95.04967	6.4
95.08599	43.7
96.08936	2.6
97.06509	7.4
97.10133	4.2
98.22614	2.4
99.08105	4.1
103.05449	4.7
105.07021	24.9
107.04931	2.4
107.08583	36.8
109.06525	5.7
109.10144	21.8
110.10465	2.1
111.08084	13.5
113.09632	2.4
115.07554	2.1
117.07033	3.8
119.04926	3.0
119.08592	34.7
120.08875	1.8
120.76315	1.7
121.06516	6.7
121.10133	100.0
122.10496	6.3
123.08087	4.0
123.11716	10.4
125.05986	1.7
125.09621	9.5
127.07513	2.4
127.11182	3.1
129.07001	2.4
131.04866	2.5
131.08565	10.9
131.39262	1.7
133.06500	2.6
133.10156	23.4
135.08051	6.1
135.11702	14.0
137.05980	17.1
137.09560	4.0
139.07552	9.0
139.11154	6.5
143.08540	5.7
145.10120	19.5
147.08046	2.4
147.11673	15.0
149.05977	2.3
149.09616	8.2
149.13264	8.5
151.07542	11.1
151.11180	3.7
151.14799	2.7
156.09288	2.2
157.08812	3.4
157.10107	10.1
159.08080	4.3
159.11691	22.2
160.11981	2.9
161.09607	6.3
161.13255	9.1
163.07585	3.8
163.11133	4.2
163.14781	5.3
164.08272	2.7
165.09096	3.9
165.12755	3.0
167.10640	7.6
169.10158	5.6
171.11720	7.9
173.09537	2.3
173.13260	8.8
175.11186	4.5
175.14871	9.9
177.12747	7.4
177.16374	3.8
179.10683	4.5
183.11697	3.9
185.13214	7.4
187.07529	2.9
187.14751	10.9
189.09169	3.2
189.12787	2.8
189.16412	7.3
191.14268	3.5
191.17928	2.7
195.11797	2.2
195.13789	4.4
197.13271	4.8
199.14795	6.4
201.12772	2.3
201.16385	20.7
203.14323	7.5
203.17998	4.2
205.15916	8.1
207.17285	3.0
211.14842	3.2
213.16402	6.3
215.14261	3.0
215.17986	2.7
217.15889	3.7
217.19481	2.6
219.13910	2.1
219.17439	3.5
221.15369	2.3
225.16441	3.1
227.17911	2.9
231.17429	2.1
233.15346	23.7
241.19550	2.7
243.17442	6.9
245.18910	2.1
251.16330	14.5
261.22134	4.9
267.21103	2.9
270.08969	6.5
271.20541	3.3
279.23199	5.6
285.22113	5.6
297.24237	2.1
303.23056	3.3
309.22171	9.2
311.12744	3.3
319.64151	2.0
327.23151	2.4
335.25790	31.9
351.15796	3.1
375.30362	2.4
393.31497	6.7
403.29944	8.3
411.32513	8.6
421.30832	16.8
439.26505	3.7
439.31943	43.7
440.32196	3.4
457.32968	19.2
458.33316	2.5
475.28464	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	475.3418
Annotation	CHEBI:69578
Peak:m/z	Relative Intensity
49.99999	1.6
53.03934	2.1
55.05508	6.9
56.45804	1.8
57.03430	1.7
57.07050	2.9
59.05006	3.7
65.03927	4.4
67.05505	12.8
69.03424	5.5
69.07062	12.0
69.25236	10.1
71.04996	3.8
79.05499	13.8
81.07061	25.9
83.04976	2.2
83.08615	4.1
87.04469	2.2
90.31090	1.8
91.05481	47.4
93.07047	28.4
94.04198	4.1
95.04951	4.9
95.08611	29.2
97.06532	6.2
97.10172	2.4
99.08086	2.6
103.05471	10.2
105.07032	24.9
107.04950	4.0
107.08591	30.6
109.06516	4.9
109.10168	22.5
111.08083	5.1
115.05473	1.9
117.07043	3.1
119.04926	19.8
119.08580	26.3
121.06481	4.1
121.10139	26.2
122.03651	7.6
123.04423	2.8
123.08099	4.4
123.11728	16.5
125.09623	4.0
128.06203	5.4
131.04942	7.0
131.08577	4.9
133.06509	7.5
133.10143	18.9
135.08104	2.9
135.11710	16.9
136.05211	2.2
137.05984	100.0
137.09593	28.4
137.13210	2.6
138.06348	2.6
139.07516	3.0
139.11176	18.4
143.08566	4.4
145.10152	5.9
147.08031	4.1
147.11664	16.4
148.05202	3.8
149.05949	3.8
149.09631	7.2
149.13258	18.8
150.10384	5.3
151.03952	2.3
151.07544	85.5
151.11200	6.0
152.07883	2.1
159.08084	5.4
159.11694	3.8
161.05991	9.0
161.09612	2.4
161.13220	10.7
163.07556	9.4
163.11172	4.7
163.14804	8.1
165.09105	13.6
165.12724	2.9
167.10716	11.8
171.08076	3.3
173.13312	5.1
174.06764	1.8
175.07568	4.7
175.14807	3.0
177.09129	9.7
177.12791	2.3
177.16475	3.3
179.10727	4.6
181.12273	2.8
187.07582	4.5
189.09103	22.9
189.12689	2.6
189.16435	4.7
191.10692	6.4
191.14346	5.7
191.17915	3.4
193.12193	5.3
193.15863	4.7
195.10159	2.7
195.13770	2.9
199.14688	2.1
201.16405	5.5
203.10687	3.4
203.17969	24.1
207.08151	2.7
207.13846	4.0
209.09645	3.4
209.15469	7.8
212.08382	2.2
221.15382	6.8
221.18950	4.1
227.10635	2.7
235.13319	27.5
235.16998	4.1
237.14865	72.3
238.15163	2.2
249.14894	4.8
251.16455	2.7
261.14868	14.6
263.16608	1.9
265.08688	1.8
267.10214	2.1
273.12790	5.3
275.10669	4.8
275.16592	2.8
277.17874	3.1
281.11819	2.3
285.11172	3.8
299.12814	6.5
301.12189	4.1
303.10349	4.2
311.12653	3.4
318.12497	10.7
319.13266	3.3
325.14157	1.8
326.15198	2.6
333.14844	18.7
351.16104	5.9
383.25906	3.7
385.27307	14.6
387.29095	4.6
399.29019	4.8
439.31961	34.2
440.32373	2.9
457.32858	32.3
458.33551	5.4
475.21127	16.3
475.33749	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.342
Annotation	CHEBI:69578
Peak:m/z	Relative Intensity
50.15759	0.7
53.03945	1.4
55.05508	5.3
57.07093	3.6
59.05014	1.1
60.24144	0.6
65.03926	1.0
66.05890	0.7
67.05504	6.6
69.03444	1.5
69.07065	5.0
69.62650	3.6
71.05002	1.3
72.79264	0.7
79.05499	7.2
81.07059	16.5
83.04959	1.6
83.08608	3.7
85.06546	2.0
85.10226	0.7
87.04469	1.1
91.05494	7.0
93.07056	14.7
95.04968	1.6
95.08609	18.3
95.09217	1.2
97.06548	2.2
97.10139	1.7
99.08069	1.5
102.19153	0.7
105.07036	14.9
107.04945	1.0
107.08594	22.7
107.67629	0.7
108.08942	0.9
109.06517	2.7
109.10159	14.5
111.08090	3.2
116.72179	0.8
117.07024	2.3
119.04913	0.8
119.08582	24.5
120.08919	1.1
121.06510	1.7
121.10149	18.5
122.10487	1.3
123.08063	3.7
123.11713	7.9
125.09646	1.2
129.07008	1.2
131.08589	7.1
133.10132	16.8
133.11139	0.9
134.10469	1.1
135.08069	2.7
135.11703	13.4
136.12108	1.2
137.05980	2.8
137.09612	2.4
137.13254	1.2
139.07483	0.8
139.11098	0.9
143.08560	1.4
145.10110	10.7
147.08202	0.6
147.11703	8.6
148.12039	0.9
149.09630	2.6
149.13268	5.1
151.07632	1.0
151.11169	2.5
151.14847	0.8
157.10147	1.5
159.11694	8.8
160.12187	0.8
161.09654	1.2
161.13263	5.3
163.07588	0.7
163.11154	2.3
163.14833	12.7
165.12779	1.1
169.08711	0.9
171.11714	1.5
173.13272	9.5
175.14827	25.3
176.15210	1.7
177.12816	2.1
177.16391	6.3
178.18788	0.8
185.13252	1.0
187.14873	2.3
189.09076	0.8
189.12766	1.0
189.16354	4.7
191.14314	5.2
191.17993	5.9
193.15903	17.3
194.16321	0.9
195.13837	1.3
199.14859	1.4
201.16417	9.6
202.16960	0.9
203.17937	1.3
205.12733	0.8
205.15938	4.6
207.17476	1.3
209.07965	0.8
213.16365	0.9
215.17998	1.0
219.17480	7.8
221.15257	1.0
221.76254	0.7
223.16956	1.3
235.17035	1.2
237.18538	2.1
239.16467	2.0
251.16429	1.5
265.17950	0.8
337.13983	0.8
341.22607	0.7
351.16055	0.7
411.32458	1.5
425.30811	0.7
429.33655	2.8
439.31726	1.7
457.25449	0.8
457.36752	2.2
458.33420	1.2
475.34189	100.0
476.34485	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	475.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.4
54.46334	2.7
55.01875	6.2
55.05510	44.7
57.03433	7.5
57.07076	2.8
67.05504	78.9
69.07066	34.4
70.33844	6.0
71.05010	5.6
79.05494	40.7
81.03403	3.3
81.07056	100.0
83.04987	7.0
83.08620	23.9
85.06538	8.5
91.05485	17.8
93.07049	37.4
95.04996	4.1
95.08607	76.6
97.06533	9.0
97.10163	29.0
99.08130	3.7
105.07047	14.4
107.08595	31.1
109.06538	4.5
109.10158	41.0
111.08076	3.2
117.07035	4.5
119.08566	20.8
121.10155	29.6
123.08092	3.1
123.11698	17.9
125.09629	28.5
131.08594	10.1
132.43930	3.0
133.10123	13.7
134.06471	2.8
135.11722	20.7
137.13248	8.6
139.11214	4.5
143.10692	7.7
145.10133	12.2
147.11710	12.0
149.09644	3.5
149.13251	8.4
151.14790	3.0
159.11699	10.6
161.13316	12.0
163.14812	6.0
173.13287	7.3
175.14801	5.0
177.16400	3.5
187.14868	5.9
207.17395	2.8
221.60564	2.2
223.16884	3.0
243.21075	10.0
261.22119	29.9
279.20129	4.9
279.23178	80.0
280.23535	6.3
297.24207	20.9
345.31363	2.6
385.31085	13.9
386.09396	2.5
403.32111	23.1
421.33185	19.3
439.34399	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	475.3781
Annotation	CHEBI:67963
Peak:m/z	Relative Intensity
55.05502	38.8
57.07063	27.4
67.05484	43.0
69.07072	43.7
69.55977	42.1
71.04974	13.7
75.14466	8.6
79.05482	24.6
81.07047	96.2
83.04974	9.4
83.08619	31.3
85.06530	22.5
85.10126	8.5
90.60187	6.9
91.05476	20.7
93.07058	64.3
94.59567	6.8
95.08616	100.0
97.06526	23.4
97.10147	12.7
97.55001	8.6
99.08078	11.7
105.07013	34.7
107.08598	76.8
109.10139	66.1
113.09644	28.5
118.87327	9.2
119.08548	40.1
121.10143	80.5
123.08036	14.1
123.11710	33.0
125.09644	13.2
129.88745	8.9
131.08539	14.1
133.10146	38.7
135.11685	58.1
137.13254	29.6
141.09103	52.7
143.07031	10.7
143.10681	12.8
145.10143	18.6
147.11687	35.0
149.13248	20.3
159.10220	14.7
159.11728	20.3
161.13283	24.3
163.14865	20.2
171.11749	9.1
171.53481	8.5
173.13342	9.8
175.14812	18.1
177.09065	17.8
177.16368	14.3
187.14833	16.7
194.11540	19.8
205.12199	13.3
275.27228	9.2
303.43011	9.2
411.32343	11.8
429.37845	9.9
439.35916	59.6
457.36664	32.3
475.32498	28.2
475.38861	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	475.3783
Annotation	Chichipegenin
Peak:m/z	Relative Intensity
53.03947	2.2
55.01849	2.1
55.05505	12.5
57.03427	1.7
57.07072	3.6
59.04981	1.3
65.03943	1.9
66.74051	1.1
67.05506	16.1
69.03422	2.5
69.07061	13.6
70.50214	2.5
70.50552	2.4
71.04987	7.5
79.05494	13.7
81.07054	27.0
83.04969	4.0
83.08609	6.8
84.77094	1.2
85.06548	2.6
88.61659	1.2
88.86314	1.3
91.05473	13.9
93.07047	24.5
95.04980	3.3
95.08604	31.1
97.06522	4.9
97.10172	4.9
99.08073	2.8
101.06022	1.4
103.05509	1.3
105.07031	17.8
107.08584	31.0
108.08961	1.2
109.06511	4.1
109.10146	21.6
111.08080	4.3
117.07027	3.8
119.04956	1.2
119.08566	24.3
121.06490	2.9
121.10134	23.6
123.08083	4.6
123.11704	11.3
125.05984	2.1
125.09638	6.6
127.11174	3.5
128.06244	1.1
129.07007	2.0
129.09116	1.1
131.08569	8.6
133.10139	20.8
135.08031	5.2
135.10777	1.3
135.11710	19.9
137.09630	3.3
137.13281	4.0
139.11177	2.2
143.08563	3.8
143.10706	1.6
145.10135	13.4
147.08046	2.4
147.11685	16.7
149.09615	5.3
149.13237	6.1
151.07558	1.5
151.11186	4.8
153.09045	1.8
155.08562	2.5
157.10115	5.8
159.11678	12.0
161.09613	2.3
161.13220	10.5
163.11197	3.8
163.14813	4.0
165.12766	3.6
169.10083	2.8
171.11714	4.9
173.13258	5.2
175.11224	3.1
175.14824	4.9
177.12715	1.6
177.16374	1.6
183.11700	1.7
185.13231	3.8
187.11156	2.2
187.14784	5.9
189.12802	2.3
189.16386	7.0
191.14336	3.0
191.17989	4.9
195.32469	1.5
197.13379	1.5
199.14723	3.1
201.16360	5.9
203.14395	3.3
203.17934	11.0
205.15918	2.2
207.17447	3.4
209.13278	1.5
211.14859	1.9
213.16402	4.2
215.17897	3.4
217.15921	4.4
219.17508	1.8
221.15242	1.5
229.19450	2.0
231.17535	3.4
235.16959	1.8
249.18515	3.9
251.20078	1.7
258.30951	1.6
288.65552	1.4
332.71640	1.5
375.28812	1.8
403.28668	2.3
421.34659	4.6
439.35986	17.3
446.44183	1.4
457.36804	100.0
458.37344	10.8
475.28204	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	475.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	30.9
56.32562	9.4
57.07075	34.9
61.75748	9.9
61.78404	8.8
65.53454	9.1
69.07058	30.3
69.53726	53.7
79.05498	25.9
80.03214	10.2
81.07056	14.6
83.08613	20.3
86.71529	10.7
91.05502	47.1
97.10172	16.0
104.35272	10.3
105.07024	32.5
107.04948	29.5
111.11662	11.0
117.07018	17.8
119.04975	10.3
121.06488	21.1
123.08031	12.5
131.08575	12.1
133.06476	19.2
135.08044	57.7
137.05981	83.3
145.06479	23.7
147.04408	22.0
150.38718	10.2
151.07542	57.5
153.05464	41.9
157.06409	9.5
159.08043	27.0
161.05971	38.0
163.07480	20.0
165.09137	29.7
167.07034	100.0
168.07779	13.4
175.07550	24.0
179.06973	17.2
187.07570	17.1
191.07054	13.0
191.10587	19.5
192.07886	17.1
193.08636	39.4
195.10150	56.9
198.12660	16.7
201.09129	58.2
211.09677	76.6
219.10193	27.8
221.11729	13.4
223.09648	86.8
233.11665	30.6
251.04750	49.4
267.36707	10.0
363.17264	35.9
418.34460	33.0
419.23672	12.2
457.36810	42.4
475.37479	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	475.3782
Annotation	CHEBI:67963
Peak:m/z	Relative Intensity
54.35653	8.1
55.05507	30.9
55.39544	8.0
56.16259	7.8
57.07081	50.6
67.05501	36.8
69.03424	19.4
69.07074	62.6
69.10942	19.0
69.11341	57.1
71.08624	36.3
79.05488	27.2
81.07059	71.2
83.08618	32.6
85.10212	21.0
91.05477	28.3
93.07054	56.8
95.05019	9.0
95.08613	70.7
97.10166	22.4
102.51012	9.7
103.36158	7.8
105.07024	51.5
107.04959	56.5
107.08614	46.2
109.06514	36.2
109.10152	34.3
111.11771	14.6
117.07041	11.3
119.08588	37.3
121.06514	16.4
121.10160	23.6
123.08134	8.5
123.11722	21.8
125.13254	9.8
128.06216	11.4
129.06981	15.2
131.08586	24.9
133.06519	13.3
133.10091	42.1
135.11691	25.5
137.06018	12.5
143.07202	7.4
143.08571	26.1
145.10117	33.8
147.08046	11.1
147.11671	26.8
149.13248	9.0
157.10106	17.7
159.11674	25.9
161.09595	24.4
161.13272	23.3
169.10060	14.5
171.08034	12.8
171.11687	10.5
175.14937	8.6
177.16393	9.2
183.10172	31.2
185.13249	22.0
187.14740	9.1
189.09093	16.7
203.10754	12.1
225.11205	15.3
251.04622	34.8
271.16995	9.8
343.30121	11.6
363.17105	18.1
399.32626	11.9
407.33179	14.1
415.35736	13.3
417.33633	100.0
418.33932	11.8
425.34106	72.8
439.35657	24.3
457.36819	80.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3782
Annotation	CHEBI:66216
Peak:m/z	Relative Intensity
50.08715	2.1
53.03943	3.3
55.01879	2.2
55.05517	19.0
57.07067	10.4
59.05011	3.0
65.03921	2.8
67.05502	36.9
67.85945	2.1
69.03420	4.3
69.07066	31.6
71.04984	6.5
71.08635	2.6
73.01233	2.3
79.05491	32.7
81.07060	61.6
83.08620	15.6
85.06538	5.2
91.05469	38.4
93.07040	49.2
95.04954	9.5
95.08601	84.6
97.06537	8.3
97.10173	9.7
98.22618	7.4
103.05470	7.2
105.03411	2.9
105.07020	35.4
107.04959	3.0
107.08595	80.8
109.06499	8.0
109.10152	100.0
110.10497	2.6
111.08069	7.3
111.11714	5.3
113.09653	3.1
115.05412	3.8
117.07011	3.5
119.04961	11.7
119.08577	45.8
120.08880	2.8
121.06503	6.5
121.09263	4.7
121.10133	61.2
123.08073	7.2
123.11698	36.9
125.05955	3.9
125.09627	7.8
127.11211	6.0
128.06165	3.8
129.07036	4.7
131.04933	5.5
131.08559	11.0
133.06529	2.4
133.10130	39.5
134.10507	3.3
135.08017	3.2
135.11679	49.3
136.12048	2.8
137.05971	23.9
137.09586	9.1
137.13283	16.0
139.07518	2.6
139.11186	6.5
143.08568	9.9
145.06442	3.2
145.10103	19.7
147.11684	32.2
149.05986	4.9
149.09593	5.0
149.13222	23.2
151.03941	3.3
151.07518	21.5
151.11086	3.4
151.14804	4.9
153.05481	4.1
153.12737	3.3
155.08609	3.4
157.10095	6.8
159.08034	5.0
159.11653	18.6
161.09592	10.3
161.13234	24.2
163.07550	10.1
163.11174	4.8
163.14824	35.0
165.09145	13.4
167.03404	2.6
171.08006	4.3
171.11684	8.1
173.09581	6.6
173.13258	14.2
175.14821	15.4
176.08284	3.1
177.05496	4.7
177.06897	2.7
177.09000	3.7
177.12685	2.8
177.16389	7.9
179.07048	9.4
179.14233	3.9
181.15901	15.0
183.11745	3.5
185.13228	4.5
187.07530	2.7
187.14813	13.0
188.15207	2.8
189.09081	13.1
189.12762	6.4
189.16341	23.5
191.14412	3.2
191.17911	12.0
193.12244	2.2
193.15746	2.9
199.14842	7.8
201.16397	12.2
203.14244	3.7
203.17967	10.7
205.08643	2.7
205.12306	3.1
205.15802	2.4
205.19559	7.1
207.10156	9.6
207.13783	4.5
207.17416	6.3
213.16438	11.5
215.17909	8.9
216.07857	3.3
217.08591	5.9
217.15866	5.8
217.19501	9.5
219.10262	3.5
221.15369	4.3
223.16899	3.0
229.19623	2.7
231.13754	4.4
231.17371	5.1
231.20955	4.3
233.19093	3.9
235.09573	2.9
235.13191	3.2
235.16960	4.9
237.11278	4.9
237.14977	3.4
239.09183	4.1
247.17072	2.6
249.14850	9.2
257.22733	4.0
257.65485	2.6
259.13293	6.7
267.10233	6.9
277.14352	68.3
278.14679	5.8
281.11780	5.1
285.21988	3.0
295.13293	3.4
296.13965	12.6
303.23248	7.0
351.15887	5.5
369.16760	2.4
384.96350	2.5
405.13239	4.0
411.36462	20.0
421.34641	18.1
429.37317	3.1
439.30298	3.2
439.35818	55.4
440.35843	5.7
457.36984	60.6
458.36996	6.4
475.21338	9.2
475.29373	3.1
475.31845	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	475.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.1
54.98568	1.4
55.01880	3.2
55.05514	18.0
57.07074	3.7
62.06098	2.3
65.03934	3.9
67.05505	49.9
69.07065	32.8
69.11066	11.7
71.04996	4.2
71.82386	1.3
79.05495	20.7
81.07059	60.3
82.04662	1.4
83.04993	3.2
83.08616	13.1
85.06549	4.5
89.22359	1.2
91.05483	46.9
93.07043	25.1
94.04196	5.3
94.07341	1.3
95.04971	7.0
95.08606	60.2
95.09216	2.9
96.08954	2.4
97.06552	5.6
97.10172	6.5
98.22579	2.0
99.08103	1.6
103.05468	13.1
105.04462	1.5
105.07034	14.8
105.53979	1.6
106.07362	2.2
106.33354	1.4
107.04962	5.9
107.08601	20.9
108.08993	1.6
109.06503	2.8
109.10162	31.7
111.04515	1.6
111.08099	3.9
111.11713	2.2
115.05479	2.3
117.07001	4.6
119.04940	22.0
119.08588	11.8
121.06544	2.0
121.10151	21.3
122.03641	9.7
123.04459	4.2
123.08076	2.7
123.11729	12.3
125.09636	2.6
128.06239	4.5
129.06996	3.4
131.04967	11.1
131.08562	8.9
133.06535	6.3
133.10118	9.2
135.08101	2.3
135.11685	14.2
136.12036	1.8
137.05975	100.0
137.09579	2.3
137.13272	6.9
138.06313	4.7
139.11185	2.5
141.06995	3.3
143.08577	12.6
145.06480	3.7
145.10094	7.9
147.04419	11.2
147.08067	2.2
147.11725	9.5
148.05119	1.6
149.05948	9.8
149.09578	2.4
149.13280	8.1
150.13576	1.4
151.03891	2.7
151.07544	79.0
151.11118	1.9
151.14828	2.5
152.07909	3.9
157.06506	3.4
159.08054	12.6
159.11707	5.2
161.05989	5.4
161.13255	8.1
163.07529	12.4
163.14861	4.8
164.08363	9.1
165.09152	14.3
165.12778	2.8
167.08559	1.5
167.10699	1.6
171.08049	17.0
171.11725	2.1
173.11795	1.6
173.13263	4.6
174.14217	1.6
175.07527	2.5
175.14848	1.9
177.09091	1.9
177.16460	2.7
179.07080	2.1
179.14302	3.7
185.09647	2.6
187.07516	18.7
187.14792	2.8
188.08269	2.4
189.09061	3.8
189.16417	2.9
190.07835	1.8
190.83961	1.4
191.14343	2.5
195.07939	1.5
195.13771	1.9
201.16461	2.9
203.10704	5.2
203.14400	1.7
205.10147	2.3
205.15894	1.8
207.13704	1.5
209.09625	2.3
209.15407	3.5
212.08336	2.1
213.09203	3.0
218.07397	1.8
219.08145	1.9
223.17006	2.3
225.09207	1.5
227.10707	4.1
233.09587	6.5
235.07475	2.2
237.09196	2.0
243.21194	7.8
251.10667	1.9
253.08542	2.1
261.09094	5.1
261.22131	20.5
262.22498	2.2
267.10147	2.0
270.08829	3.7
279.10162	8.1
279.23193	69.5
280.23553	5.3
283.09827	1.8
283.13373	4.7
285.11139	6.3
293.11630	3.0
295.13321	2.8
297.11182	3.2
297.24295	13.0
299.12872	3.4
311.12817	15.5
312.13324	3.2
333.14706	3.6
335.25827	7.4
337.14383	3.3
351.16006	12.8
429.33920	1.6
439.32330	1.6
457.33292	2.8
475.21118	16.0
475.34830	3.2
476.21628	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	476.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.9
55.01875	3.5
55.05259	2.0
55.05508	21.5
56.96806	1.4
57.03423	3.5
61.02911	1.6
65.03939	7.8
67.05501	8.0
69.03074	2.2
69.03429	33.8
69.13421	4.8
69.13841	10.1
73.02893	2.7
81.03415	27.3
83.04976	100.0
85.02895	19.5
90.79547	1.5
93.03398	21.8
95.04952	2.7
95.33009	1.7
97.02885	41.4
97.32876	1.4
99.04446	6.2
103.03941	4.3
108.04453	6.1
109.02876	21.3
111.04436	48.6
121.02863	21.7
123.04374	3.3
127.03902	22.8
137.05968	2.1
139.03891	79.0
140.04251	1.6
145.04956	12.4
145.06592	1.9
147.04350	3.3
150.14238	1.7
157.04951	42.7
165.05466	2.5
173.05997	2.6
177.05510	2.1
189.05577	2.1
195.94835	1.8
197.05957	2.9
201.05444	1.8
203.06970	1.6
207.06520	5.1
217.07018	2.2
223.05937	1.7
231.06471	12.0
233.08171	2.0
241.07178	2.6
243.06439	4.1
249.07578	3.4
255.08629	15.7
261.07581	2.6
279.08676	2.4
283.08151	11.3
301.09180	34.8
301.12146	1.4
319.10236	21.5
476.25961	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	476.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	5.9
55.05512	25.7
57.03437	4.0
57.93187	2.1
61.87929	1.9
65.03949	10.6
67.05501	8.6
69.03432	39.8
70.23337	4.2
70.23737	4.0
71.04994	2.9
75.68536	1.9
81.03420	30.4
83.04471	4.8
83.04979	100.0
84.05347	2.5
85.02901	22.7
93.03403	16.3
95.04971	2.9
97.02269	2.7
97.02895	47.2
99.04458	6.3
103.03927	8.4
107.08587	2.2
108.04477	2.4
109.02883	25.2
111.04440	50.9
121.02875	26.8
121.06499	2.3
123.04419	2.5
124.07590	2.9
127.03913	30.1
131.64113	2.1
139.03900	94.9
140.04301	1.8
141.05452	2.9
145.04979	12.8
145.06120	1.9
145.06383	1.9
147.04388	4.3
157.04958	44.3
173.06015	2.7
177.05489	2.0
181.04997	2.4
197.06062	2.1
201.69188	2.0
207.06425	4.0
215.07164	2.8
219.06567	2.2
231.06546	13.5
233.08037	4.1
241.07132	2.3
249.07558	5.0
255.08592	13.5
261.07654	6.5
279.08661	3.7
283.08099	14.9
301.09183	36.7
319.10190	20.1
412.32990	2.1
445.67581	2.5
475.25003	2.5
476.25159	5.9
477.15381	4.3
504.47284	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	476.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.2
55.01873	10.7
55.05502	2.2
55.17708	1.3
57.03181	2.1
57.03436	26.7
59.04996	3.2
59.77421	1.3
60.04535	1.5
61.02925	19.7
67.05511	1.1
68.90556	1.1
69.03062	2.1
69.03429	34.4
69.36787	2.7
69.37196	5.5
71.01347	4.9
71.04988	5.3
73.02915	100.0
73.06541	1.3
74.03256	1.2
74.54947	1.0
79.05493	2.0
81.03414	8.3
81.07060	1.4
83.04977	1.6
85.02903	92.1
87.04462	5.2
91.03925	3.0
91.05470	3.8
93.07025	1.6
95.04987	2.0
95.08585	1.5
96.04475	1.6
97.02889	60.0
98.03220	1.8
98.23354	2.7
99.04453	9.6
103.03947	2.8
105.07025	10.0
105.45304	1.3
107.04932	2.6
109.02872	8.9
109.10143	2.1
115.03929	33.9
115.42943	1.2
116.67768	1.2
117.05508	3.3
117.06982	1.3
119.08610	1.2
121.02847	1.9
121.10160	1.2
124.05210	14.8
127.03910	27.2
129.05460	1.9
131.07047	24.9
132.06543	1.5
133.03940	2.1
133.04962	41.3
133.06448	8.7
133.10167	1.1
137.05978	17.6
143.06981	1.5
144.06532	3.6
145.04948	37.3
150.07622	4.7
150.55754	1.3
159.06589	2.4
161.05981	1.3
162.07654	2.4
163.05986	11.5
163.07211	1.7
165.09122	37.6
166.09491	1.2
167.03363	2.2
167.07025	2.0
177.05394	2.0
177.07614	1.6
177.09114	1.7
180.08640	2.9
181.04984	2.0
187.07535	1.9
189.09138	1.3
193.04939	2.4
199.05998	2.7
201.08992	2.8
203.10606	1.2
223.06044	3.8
241.06999	5.8
243.10127	2.7
259.08167	2.9
261.11227	2.7
277.08945	2.0
294.11880	1.6
315.08667	2.6
316.05823	2.8
321.11731	1.8
331.08139	19.2
364.09540	1.3
422.30252	1.3
476.19556	3.5
476.32935	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.4
55.01861	3.5
57.03168	2.4
57.03434	29.3
59.04994	5.3
60.04510	3.5
61.02911	4.2
62.37543	1.5
69.03426	100.0
69.46295	7.4
71.01332	1.6
73.02915	14.5
81.03410	3.4
85.02898	79.1
87.04461	64.2
91.03961	1.8
94.48138	1.4
97.02890	78.0
99.04445	2.2
100.56972	1.8
103.05427	1.7
105.07030	10.4
109.02875	5.6
109.06496	1.5
115.03925	98.5
116.04262	1.6
124.05206	14.7
127.03901	10.7
132.06543	1.6
133.04956	93.5
133.06403	7.1
134.05362	1.8
135.04420	2.2
137.05957	25.9
139.03880	1.8
144.06601	1.8
145.04990	14.2
145.06169	1.6
145.06528	1.5
150.07599	8.9
153.01834	5.0
162.07693	2.2
163.06047	2.2
165.09100	42.0
169.04916	2.9
177.09033	2.6
180.08722	2.9
181.04878	1.9
187.06020	1.7
189.09116	5.0
195.63023	1.4
201.09215	3.7
203.10876	1.6
207.10159	3.8
223.06000	2.1
231.10176	2.0
241.07077	2.7
243.10175	3.5
255.12265	1.4
259.08096	3.2
261.11139	2.3
269.79556	1.4
277.09131	2.7
476.32861	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.0
53.96844	1.1
55.01872	10.7
57.03438	25.1
59.04999	3.0
61.02932	17.9
67.05501	1.7
69.03429	33.9
69.35711	6.6
69.36129	1.8
71.01340	4.6
71.04992	4.1
72.04492	1.3
72.80572	0.9
73.02919	100.0
73.06546	1.1
79.05466	1.6
81.03416	6.6
81.07048	1.3
85.02906	81.4
87.04471	4.6
91.03950	3.4
91.05476	2.2
93.07061	2.3
95.08591	1.2
97.02894	54.6
98.23425	1.0
99.04468	10.5
103.03958	2.9
105.07019	9.8
107.04947	1.1
107.08611	1.2
109.02867	9.8
109.10144	1.1
115.03939	33.1
116.32579	1.2
117.05463	3.4
119.08547	1.4
121.10141	1.5
123.04423	1.4
124.05211	14.3
127.03027	2.3
127.03912	25.2
129.05461	1.3
131.04970	1.3
131.07051	27.1
133.04968	45.2
133.06454	6.3
137.05977	14.1
139.03918	1.4
144.06598	3.2
145.04959	34.7
150.07607	3.0
151.07574	2.0
153.01799	1.7
153.05452	1.2
156.06483	1.2
157.05006	1.2
159.06520	2.7
161.09697	1.4
162.07587	2.2
163.06033	12.5
165.09125	38.0
167.07066	2.2
174.06735	1.3
175.07524	1.4
177.05490	1.0
177.07648	2.0
177.09102	2.0
180.08716	3.1
181.04971	1.7
187.07492	2.2
193.05002	1.7
199.06006	1.4
201.09120	4.2
217.07040	2.4
223.06027	4.8
231.10097	1.6
241.07092	6.5
243.10344	2.6
248.74832	1.1
259.08167	5.4
261.11188	4.1
277.09119	2.0
315.08405	2.1
316.05865	1.8
321.11780	1.3
331.08130	19.5
357.20575	1.1
475.32199	1.4
476.19995	1.8
476.32568	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	2.7
57.03437	9.9
67.05483	3.3
69.03436	5.3
70.81773	4.2
70.82098	3.7
71.04992	55.3
73.02901	3.2
75.04492	6.1
79.05516	4.7
81.03423	6.2
81.07066	3.6
83.04971	6.2
85.02905	69.8
88.94500	3.1
89.05984	2.8
91.05538	4.1
93.07030	3.1
97.02894	8.5
99.04464	3.2
104.97366	2.7
105.07032	14.2
109.02909	3.0
111.04439	4.9
117.78659	2.9
121.10181	3.9
123.04460	3.6
124.07585	3.5
125.06026	3.2
126.94481	2.8
127.03928	6.9
129.05475	25.2
133.06488	36.9
139.03859	2.9
145.04996	3.3
147.06525	11.4
147.08055	8.4
151.07538	80.0
153.01843	15.7
167.07065	4.1
200.12790	3.1
292.90170	3.0
315.09055	2.7
476.12192	4.3
476.18771	4.9
476.25525	100.0
477.25620	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	476.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
53.69226	0.5
55.01862	0.7
55.05513	9.9
57.03437	9.2
57.07082	0.9
65.03933	2.1
67.05505	34.7
68.05841	0.9
69.03430	0.7
69.07069	8.9
69.22491	4.3
71.04984	0.8
71.72475	0.5
75.41364	0.5
79.05492	18.8
81.07055	29.9
82.07394	0.7
83.04973	0.8
83.08620	3.2
85.06528	0.6
91.05475	9.0
93.07047	18.3
94.07381	0.9
95.04974	1.6
95.08606	23.0
96.08991	0.7
97.06540	1.3
97.10155	1.2
98.22577	1.2
98.98511	0.5
99.08030	0.5
105.04530	0.9
105.07034	6.0
107.08594	9.9
109.06528	1.3
109.10153	10.1
111.08109	1.3
117.07014	1.4
119.04951	0.6
119.08567	4.8
121.10151	6.7
123.08055	0.6
123.11712	2.1
124.01612	0.9
131.08569	2.9
133.10118	2.9
135.08075	0.9
135.11684	3.5
137.05919	0.5
137.09631	0.7
145.10118	1.9
147.11702	2.1
149.13293	1.9
159.11687	1.3
160.81027	0.5
161.13272	1.3
163.11337	0.5
163.14847	0.5
165.12849	0.6
171.11635	0.7
173.13222	0.9
175.14903	0.7
177.12766	0.6
187.14806	0.6
216.06384	0.8
229.39040	0.5
240.36191	0.5
261.22113	1.4
299.95111	0.5
304.26215	2.3
335.25793	100.0
336.26123	8.5
346.33838	0.5
477.29300	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.9
55.11777	0.7
63.67411	0.9
69.07069	1.2
71.31889	0.9
77.03910	0.9
79.05490	14.7
91.05478	30.9
95.04931	1.2
103.05464	9.7
105.07026	69.4
106.06596	1.7
106.07357	1.2
107.08613	4.8
108.38754	0.7
109.99297	0.7
115.79320	0.8
118.13642	0.7
133.06487	45.9
134.06844	1.0
135.08049	100.0
136.08371	3.5
151.07529	14.0
167.05283	1.5
181.10136	2.0
198.12776	28.7
199.13068	1.1
201.16617	0.8
237.27809	0.7
241.50278	0.8
245.02229	0.8
279.17776	39.6
280.18091	3.2
459.07428	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.6
58.35350	0.5
59.04993	1.2
65.95207	0.5
69.03423	1.6
69.33112	4.2
73.06541	1.6
74.27108	0.6
74.58919	0.6
77.86951	0.5
81.03447	0.8
83.05013	0.7
85.02916	1.5
87.04464	7.0
89.06033	100.0
90.06339	0.9
93.07047	0.7
97.02857	1.7
98.23356	1.3
107.07066	1.4
109.84270	0.6
111.04444	0.5
122.83662	0.6
127.03941	1.7
129.05547	0.7
130.08659	0.9
131.07051	2.3
133.08607	63.2
134.08936	0.8
137.05988	0.6
153.01868	5.0
159.06544	0.9
167.07088	0.6
175.09740	1.5
177.05420	0.9
177.11215	20.9
178.11652	0.6
189.05228	1.1
219.12526	0.6
221.13908	3.8
250.08162	0.6
265.16541	1.3
283.17831	0.6
327.20267	1.3
338.45074	0.6
371.23108	0.7
415.25467	1.6
459.28101	8.2
476.25589	10.0
477.17276	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	476.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.7
55.05507	18.9
56.48364	2.6
57.07062	6.4
60.56856	2.6
65.03963	3.1
65.12949	2.3
67.05508	21.8
69.03416	4.4
69.07071	20.3
69.89539	6.1
69.89942	7.0
71.05006	4.5
71.08628	3.2
79.05505	18.8
81.07051	36.0
83.04996	5.0
83.08609	8.3
85.06548	2.5
91.05481	21.4
93.07043	39.0
94.07380	3.1
95.04980	7.6
95.08598	46.2
97.06520	9.3
97.10157	5.5
105.07028	28.8
106.07381	3.8
107.04934	5.2
107.08591	42.6
109.06518	5.7
109.10144	22.9
110.10494	5.0
111.08068	8.5
117.07047	5.8
119.08571	40.4
120.08914	2.3
121.06499	9.6
121.10135	52.4
122.10458	3.2
123.08073	7.1
123.11730	13.1
125.09634	10.3
128.06224	3.3
129.07066	2.6
131.08585	15.7
133.06488	4.4
133.10129	29.4
134.10497	2.7
135.08044	4.1
135.11693	25.1
137.05986	14.0
137.09587	4.1
137.13231	4.1
138.06270	4.7
139.07584	13.5
139.11176	4.3
143.08565	7.6
145.10114	15.6
147.04396	3.2
147.07991	5.1
147.11691	19.6
149.09610	10.4
149.13255	7.0
151.07564	11.0
152.07832	4.4
153.01813	7.1
154.02116	4.1
155.10614	3.1
157.08664	4.6
157.10153	9.0
159.11719	16.7
161.05977	4.8
161.09618	4.8
161.13315	14.3
163.07611	4.4
163.14835	7.1
165.09140	3.4
167.07301	2.7
167.10660	8.3
167.14363	3.3
171.08098	3.8
171.11679	10.9
173.13315	13.4
175.07368	2.9
175.11195	3.4
175.14822	9.9
177.09093	3.6
177.12744	13.7
179.14302	4.6
181.08560	2.8
183.11696	3.1
185.13243	5.6
186.13483	2.8
187.11322	2.8
187.14822	13.1
189.09137	7.5
189.12718	5.4
189.16379	11.3
190.09433	6.3
191.10596	3.2
191.14328	5.6
191.17958	7.9
193.08537	3.2
195.13785	7.5
197.13335	2.8
199.14803	4.9
201.16432	15.4
203.14314	12.4
203.18097	12.3
205.15942	5.0
207.17325	2.9
211.14751	3.0
213.16397	6.0
215.14381	2.5
215.17929	6.1
217.15913	3.6
219.17459	3.3
221.15459	3.1
222.73949	2.4
226.17065	3.9
227.17947	5.2
229.19565	5.3
232.18381	2.7
233.15387	22.1
235.16994	3.9
239.08951	4.5
240.09447	3.9
249.14793	8.7
251.16415	22.1
255.20955	3.0
266.14859	3.9
269.19333	3.2
269.22672	10.4
277.14258	3.8
278.14691	4.0
293.22604	4.7
311.23764	3.0
312.12827	3.4
334.15408	4.1
405.31454	10.1
413.34119	3.4
423.32574	52.3
424.32828	5.1
433.23419	4.4
441.33722	100.0
442.33994	7.1
459.24350	3.6
459.35089	14.0
460.86627	2.9
477.28052	8.2
477.33231	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	476.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82384	7.7
55.05503	20.3
57.07070	17.0
61.92149	9.6
63.91646	8.4
66.51689	8.0
67.05505	36.2
69.03436	8.5
69.07066	35.3
79.05502	23.3
81.07059	72.0
83.08638	20.6
91.05482	24.5
93.07041	62.8
93.33282	8.7
95.08600	100.0
99.08100	17.8
102.50421	9.6
105.07022	45.6
107.08581	88.6
109.10155	63.1
119.08598	57.8
121.10146	78.0
123.08045	13.4
123.11728	26.5
123.35728	9.3
133.10097	53.5
135.11691	66.6
137.13246	12.9
145.10109	15.6
147.11719	32.6
149.13254	23.5
159.11729	20.6
160.12025	8.9
161.13248	26.0
163.14908	10.4
173.06030	9.6
173.09663	9.4
173.13258	10.2
175.14815	22.7
177.16460	49.5
187.14922	17.7
189.16368	25.1
191.17902	49.9
201.16374	29.1
203.17946	58.5
215.17979	13.0
217.19530	11.6
227.18011	14.7
231.73857	9.0
233.18944	44.4
291.81192	9.0
400.29813	9.6
405.35327	11.3
423.36105	33.9
440.35843	12.4
441.37180	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	476.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.7
56.48365	1.8
57.07066	4.2
65.03963	1.7
67.05489	4.2
68.84307	1.7
69.07062	5.6
79.05492	19.8
81.07050	8.2
83.08623	3.1
91.05476	35.6
93.07039	9.4
95.04954	3.7
95.08609	16.0
97.06508	1.8
99.08092	1.6
103.05445	8.3
105.07025	72.9
106.07352	2.0
107.08577	16.6
109.10175	10.5
117.07111	1.9
119.08586	12.6
121.10131	18.7
123.11689	2.6
133.06482	40.2
133.10114	9.5
135.08054	100.0
135.11708	8.8
136.08415	3.4
145.10083	1.7
147.11699	7.7
149.13329	1.8
151.07523	15.1
159.11752	2.5
161.13251	6.1
173.13316	3.2
175.14818	2.3
177.16402	13.1
187.14867	1.7
189.16400	7.3
191.17978	4.9
198.12770	27.0
199.13177	2.6
203.17931	22.5
215.17906	3.4
233.19005	16.1
251.19997	7.0
279.17783	40.9
279.22995	2.5
280.18005	3.8
441.37347	20.2
476.34177	2.9
477.33963	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	476.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	9.8
57.07072	13.2
57.93791	4.7
58.50620	4.9
67.05509	23.7
69.07066	22.5
69.18965	8.4
69.19370	35.8
79.05486	10.7
81.07059	40.0
83.08598	11.7
86.61809	4.7
91.05472	8.0
93.07039	35.8
95.08601	100.0
97.06502	7.5
105.07024	19.0
107.08586	57.5
109.10143	62.5
111.08059	9.0
111.11695	6.1
119.08540	32.0
121.10145	65.8
123.11686	21.1
131.08556	6.9
133.10120	35.8
135.11681	62.3
145.10136	20.4
147.11655	28.0
149.13239	25.8
159.11725	22.3
161.13261	17.4
163.14815	17.4
173.13240	12.3
175.14787	11.3
177.12805	8.8
177.16344	8.7
180.88849	4.6
184.11133	5.1
187.14795	9.7
189.16368	20.6
191.17935	99.1
201.16324	16.5
203.17964	14.2
205.19525	14.7
213.16463	4.9
215.17986	24.0
217.19606	7.9
219.17375	10.3
227.17953	5.7
233.18997	20.0
241.25418	4.7
251.04634	10.3
251.20097	9.9
252.05103	11.7
283.24146	6.7
363.16742	5.3
364.17252	10.8
423.36273	31.0
441.37259	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	477.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81962	0.3
58.15620	0.3
58.75423	0.3
68.30516	0.2
69.14371	0.2
69.17724	2.6
83.86063	0.3
84.24937	0.3
92.35500	0.3
107.04952	0.5
118.94241	0.3
153.01825	0.5
162.02873	2.1
163.03709	0.3
192.00294	0.3
195.10172	1.3
205.04778	0.5
270.85260	0.3
276.02829	0.4
276.81693	0.3
337.05438	1.2
477.10013	100.0
478.10342	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	477.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.2
57.03434	0.9
65.03928	0.1
67.05486	0.1
68.99786	0.6
69.03423	0.5
71.01357	1.5
73.02919	2.6
75.04468	0.1
79.05489	0.4
81.03430	0.2
81.07065	0.2
83.01340	0.7
85.02905	6.8
93.07032	0.1
94.99676	0.1
95.01324	1.0
95.04963	0.3
95.08597	0.2
97.02881	0.5
99.00797	0.6
101.02371	0.6
103.03934	0.5
105.03378	0.5
105.07026	0.2
105.63647	0.1
107.04950	0.4
109.02863	0.2
111.04432	0.1
113.02364	3.1
119.08572	0.2
121.02863	3.2
121.10101	0.2
123.04421	0.5
125.02339	0.3
131.03419	1.6
133.02855	0.3
135.04393	0.2
137.02313	0.2
137.06001	0.5
141.01819	1.2
147.04361	0.3
151.03888	0.8
151.07535	0.3
153.01796	0.2
153.06973	0.2
157.06531	0.2
159.02873	1.2
167.03406	4.4
167.04832	0.2
171.08055	0.4
179.03378	2.3
181.06454	0.3
184.05121	0.2
197.04471	0.3
199.07539	0.5
211.07469	0.2
217.08519	0.2
221.92261	0.1
227.07059	1.4
245.08058	0.6
255.06430	0.8
271.05951	0.2
272.03036	0.1
272.03983	0.2
272.06772	1.3
273.07501	0.4
286.04877	0.2
300.02579	0.4
300.06131	0.3
301.07050	100.0
302.03943	0.2
302.07394	5.0
313.06979	0.1
315.04962	0.9
315.08563	0.3
331.07880	0.2
343.07974	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	477.1028
Annotation	Kaempferide 3-glucuronide
Peak:m/z	Relative Intensity
52.70154	0.1
55.01883	0.3
57.03431	1.1
65.03928	0.2
67.01860	0.2
67.05532	0.2
67.34075	0.1
68.99787	0.3
69.02084	0.3
69.02499	1.2
69.03423	0.5
71.01359	1.8
73.02917	3.1
73.06860	0.1
75.04472	0.2
77.41773	0.1
79.05473	0.2
83.01353	0.8
85.02905	7.5
91.73048	0.2
95.01328	1.1
95.04964	0.3
97.02888	0.6
98.23257	0.3
99.00801	0.4
101.02378	0.6
103.03914	0.5
105.03375	0.3
107.04945	0.3
113.02364	3.6
121.02866	3.4
123.04437	0.5
123.07906	0.1
125.02350	0.4
131.03392	1.4
131.04903	0.1
133.02832	0.4
135.04410	0.2
141.01828	1.4
147.04416	0.7
151.03879	0.7
159.02882	1.4
161.05963	0.3
167.03403	4.9
167.04839	0.3
171.04495	0.2
171.08067	0.3
175.03937	0.1
179.03403	2.5
181.06465	0.3
197.04395	0.5
197.06003	0.2
199.07553	0.4
217.08548	0.3
227.07057	1.5
243.06467	0.3
245.08162	0.7
255.06503	0.8
263.05670	0.2
272.06775	1.3
273.07550	0.3
283.05969	0.3
299.05569	0.7
300.06326	0.4
301.07056	100.0
302.07397	5.5
315.08667	0.5
325.07175	0.2
453.31696	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	477.1391
Annotation	Kaempferol 7,4'-dimethyl ether 3-glucoside
Peak:m/z	Relative Intensity
50.25765	0.2
51.44616	0.2
52.67155	0.2
52.94557	0.2
54.16780	0.2
55.05488	0.4
56.83694	0.2
57.03392	0.3
57.22905	0.2
64.17558	0.2
67.05489	0.5
68.89808	0.2
69.03397	0.5
69.07039	0.3
69.21571	2.0
71.04947	0.3
75.68987	0.2
79.05463	0.6
79.79256	0.2
81.03396	0.5
81.07048	0.4
85.02898	1.3
91.05448	0.5
93.07006	0.4
95.04962	0.5
95.08569	0.3
98.22543	0.3
102.57735	0.3
105.07010	0.4
107.08557	0.3
119.08549	0.5
121.02892	0.3
121.06506	0.4
121.10128	0.2
127.03915	0.3
131.08562	0.3
137.05959	0.2
143.08533	0.3
147.11613	0.3
151.07687	0.3
165.09076	0.6
167.03377	1.4
175.01755	0.2
212.64284	0.2
243.06519	0.7
244.07304	0.3
271.05963	0.5
272.06769	19.6
273.07111	0.9
299.05472	0.3
300.06265	45.1
301.06790	3.9
315.08594	100.0
316.08939	6.0
357.09686	0.6
385.23859	0.4
477.13882	33.5
477.24884	0.9
478.14215	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.139
Annotation	Kaempferol 7,4'-dimethyl ether 3-glucoside
Peak:m/z	Relative Intensity
52.71326	0.3
55.05495	0.5
67.05505	0.6
69.03427	0.5
69.07033	0.3
69.33398	1.8
77.92452	0.2
79.05482	0.3
81.03388	0.3
81.07055	0.7
83.08618	0.4
91.05467	0.5
93.07043	0.6
95.04985	0.3
95.08612	0.6
105.07001	0.5
107.08575	0.6
107.26730	0.3
109.06545	0.3
109.10134	0.4
119.08612	0.3
121.06485	0.2
121.08582	0.2
121.10057	0.4
123.08076	0.3
123.11672	0.3
125.09601	0.2
133.06499	1.2
134.49411	0.2
135.04414	0.5
137.05960	0.7
147.11678	0.3
151.07567	1.1
165.09148	0.7
166.09343	0.3
167.07034	0.6
183.02876	2.1
193.05086	0.3
217.12283	0.2
272.06781	16.6
273.07196	0.7
300.06271	10.8
301.06641	0.5
313.07114	0.3
314.07986	0.4
315.08603	100.0
316.08963	6.0
436.47620	0.3
477.13882	6.0
477.28098	0.5
478.14270	0.5
483.03812	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1389
Annotation	Kaempferol 7,4'-dimethyl ether 3-glucoside
Peak:m/z	Relative Intensity
68.43487	0.1
69.03412	0.5
70.81204	0.3
70.81528	0.2
79.01826	0.4
79.05479	0.2
81.03408	0.7
85.02889	0.5
97.02864	0.4
105.07032	0.2
107.01328	0.2
109.02846	0.5
119.08559	0.2
125.02332	0.2
127.03885	0.6
130.06509	0.1
137.02319	0.2
137.05974	0.2
143.03386	0.4
144.17174	0.1
151.03899	0.6
153.01820	7.2
153.02907	0.4
154.02161	0.2
167.03412	0.6
171.02901	1.0
243.06566	0.6
271.06189	0.2
272.06784	18.9
273.07169	0.9
297.06006	0.9
299.99310	0.2
300.06271	38.4
301.06686	2.0
315.08603	100.0
316.08936	5.3
332.58868	0.1
349.66907	0.1
408.10327	0.2
477.14035	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1391
Annotation	Kakkalidone
Peak:m/z	Relative Intensity
66.84321	0.1
67.05500	0.2
69.03423	0.2
71.04972	0.2
71.31426	0.1
71.31796	0.2
76.85697	0.1
78.50220	0.1
79.05474	0.2
81.03394	0.3
81.07034	0.2
85.02880	0.4
91.05473	0.2
93.07029	0.2
95.04951	0.2
95.08605	0.2
97.02870	0.1
98.31478	0.1
105.07038	0.3
107.08585	0.3
119.08557	0.2
126.14134	0.1
133.10129	0.2
137.05956	0.1
151.07495	0.1
153.01817	0.5
154.02588	0.1
163.07538	0.4
178.02658	0.2
232.77341	0.1
237.90045	0.1
242.05745	1.4
253.04964	0.3
254.05724	1.3
255.06375	0.2
257.04370	0.2
270.05231	0.7
271.05991	9.2
272.06580	0.8
283.05847	0.2
285.03976	1.4
286.04718	2.8
287.05066	0.1
297.03928	0.5
299.05493	32.8
300.06189	8.4
301.06735	0.5
315.08597	100.0
316.08942	5.1
331.07889	0.2
372.54172	0.1
386.18539	0.1
426.27118	0.1
475.57748	0.1
477.13751	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1393
Annotation	Kaempferol 7,4'-dimethyl ether 3-glucoside
Peak:m/z	Relative Intensity
55.01855	0.2
55.05514	0.6
57.03407	0.3
67.05510	0.4
67.84459	0.1
69.03403	0.3
69.07037	0.3
71.04970	0.1
72.81161	0.1
73.02882	0.1
79.05499	0.6
79.46593	0.1
81.03410	0.7
81.07051	0.5
83.04940	0.1
83.08590	0.4
85.02900	0.8
87.04461	0.1
91.05476	0.7
93.07032	0.7
95.04964	0.5
95.08610	0.5
97.02900	0.2
97.10125	0.3
105.07043	0.6
107.04903	0.3
107.08576	0.6
107.56429	0.1
109.02869	0.1
109.06544	0.2
109.10133	0.3
111.08060	0.1
117.07006	0.2
119.08560	0.3
121.06471	0.3
121.10090	0.3
123.08047	0.1
125.09620	0.3
127.03891	0.2
129.06969	0.2
131.08527	0.3
133.06410	0.1
133.10080	0.2
135.08043	0.2
135.11673	0.1
137.05928	0.2
145.10042	0.1
147.11716	0.2
149.05992	0.2
149.09621	0.2
149.13301	0.1
151.03937	0.1
157.10057	0.2
159.11757	0.1
161.09546	0.1
167.03401	0.8
173.05960	0.1
175.11182	0.1
189.11169	0.2
193.12242	0.3
208.55733	0.1
211.13312	0.1
227.12703	0.2
229.04948	0.2
233.15437	0.1
237.44522	0.1
243.06529	0.7
257.04324	0.5
265.13443	0.1
267.15909	0.2
271.05966	0.3
272.06784	25.9
273.07150	1.4
279.11160	0.1
285.03848	0.2
297.07651	0.1
299.05429	0.2
300.06274	52.9
301.06595	2.9
309.12347	0.1
313.07166	0.3
314.07816	0.1
315.08600	100.0
316.08948	6.0
337.11874	0.4
338.12711	0.1
339.23007	0.1
343.08063	0.1
357.09796	0.7
367.22562	0.3
385.23676	0.6
403.24890	0.3
444.51398	0.1
445.97491	0.1
459.27515	0.4
477.13907	35.3
478.14209	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	477.1391
Annotation	Kaempferol 7,4'-dimethyl ether 3-glucoside
Peak:m/z	Relative Intensity
52.65840	0.1
53.64541	0.1
55.05496	0.2
57.53350	0.1
67.05490	0.2
69.31975	0.3
69.32380	0.7
79.05482	0.3
81.03359	0.1
81.07033	0.2
85.02915	0.2
91.05457	0.4
93.07010	0.2
95.08595	0.2
103.05488	0.1
105.06995	0.2
119.08563	0.3
121.06469	0.2
122.77264	0.1
133.06477	1.4
133.10167	0.2
135.04398	0.5
137.02295	0.3
137.05940	0.3
145.10094	0.2
149.05966	0.2
166.60489	0.1
181.01299	0.1
181.04955	0.3
182.02069	0.2
183.02881	2.2
199.02443	0.2
244.07257	0.2
272.06778	17.6
273.07175	1.1
283.09653	0.1
297.07547	0.2
300.06262	10.4
301.06454	0.7
313.07040	0.4
315.08588	100.0
316.08939	6.0
477.14014	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1393
Annotation	Kaempferol 7,4'-dimethyl ether 3-glucoside
Peak:m/z	Relative Intensity
57.03453	0.3
69.03454	0.5
70.67033	0.3
70.67351	0.4
73.02940	0.7
76.85796	0.3
81.03420	0.3
81.07080	0.3
85.02910	2.6
87.04507	0.2
91.05511	0.5
93.07098	0.4
97.02950	0.4
113.02417	0.9
121.02903	0.8
121.10161	0.2
133.10144	0.3
137.02370	0.4
137.05954	0.3
137.09659	0.2
147.04474	0.4
151.03986	0.5
157.11168	0.3
159.02940	0.3
167.03419	1.1
179.03452	0.6
227.06972	0.3
271.09616	0.3
272.06799	18.2
273.07193	0.9
300.06293	38.8
301.07037	20.1
302.07364	1.2
315.08621	100.0
316.08954	5.2
402.09293	0.3
477.13837	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	477.1391
Annotation	Eupalin
Peak:m/z	Relative Intensity
50.30643	1.0
55.05499	1.8
57.03441	3.4
60.51816	0.9
60.73074	1.0
66.64216	1.1
67.05500	2.9
69.03444	2.3
69.20260	5.1
69.20677	3.9
71.04990	13.9
75.04450	1.0
79.05506	2.3
81.03415	2.5
81.07043	4.0
85.02899	18.2
91.05477	3.4
93.07041	3.3
95.04965	1.3
95.08621	2.7
97.02847	1.2
103.08734	1.2
105.07012	3.6
107.04945	2.1
107.08580	3.2
109.10138	3.1
117.07014	1.0
119.08605	1.8
120.29960	1.3
121.06470	1.1
121.10146	1.7
123.04398	1.8
129.05501	4.3
129.06944	1.5
131.08607	2.2
133.06474	1.5
135.04434	1.5
137.05988	2.6
147.11668	2.4
149.09674	1.3
149.13312	1.2
151.03918	1.9
157.10103	1.6
159.08063	1.1
161.13217	1.4
166.79781	1.2
167.03413	7.5
170.05663	1.2
181.04977	4.2
181.08559	1.3
208.15848	1.1
215.14697	1.1
217.19427	1.1
242.05684	1.2
243.06566	1.7
259.06088	1.9
271.05991	1.3
287.05417	1.9
288.06259	2.8
299.05481	2.9
300.06290	18.8
301.06824	2.0
315.08612	100.0
316.05710	10.0
316.09024	3.9
331.08112	88.1
332.08511	5.9
343.08249	2.6
373.08990	2.2
385.23535	2.0
453.43845	1.2
459.13080	1.5
477.13812	12.8
477.23312	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	477.1393
Annotation	Kaempferol 7,4'-dimethyl ether 3-glucoside
Peak:m/z	Relative Intensity
50.43620	0.2
53.03943	0.3
55.01862	0.3
57.03428	0.7
60.14438	0.2
67.05494	0.3
69.03422	0.6
70.06583	0.3
70.25858	0.2
71.01353	0.5
71.04984	0.3
71.31609	0.3
73.02909	0.8
73.41047	0.2
81.03431	0.4
81.07024	0.3
83.01356	0.5
85.02900	2.6
91.05471	0.4
93.07059	0.4
95.01308	0.5
95.04955	0.4
97.02901	0.5
105.03424	0.3
105.07048	0.4
107.04981	0.3
107.08580	0.3
109.06504	0.3
109.10133	0.3
113.02361	0.9
120.36777	0.2
121.02842	1.4
121.10188	0.2
123.04440	0.2
123.36845	0.2
126.00211	0.2
131.03391	0.6
131.04889	0.2
133.02876	0.4
133.10114	0.5
134.10530	0.3
136.40900	0.2
137.02339	0.5
137.06020	0.6
137.09624	0.3
141.01820	0.5
147.04428	0.3
149.05940	0.2
149.09570	0.3
151.03870	0.5
156.67090	0.2
159.02884	0.3
163.07494	0.2
165.09096	0.3
167.03384	2.2
167.08398	0.3
170.84882	0.2
171.08066	0.2
177.05426	0.2
179.03416	0.7
191.16460	0.2
199.07538	0.3
227.06993	0.6
243.06599	0.7
245.08105	0.2
255.06355	0.2
257.04498	0.2
271.05939	0.5
271.09576	0.4
272.06790	20.5
273.07178	1.2
273.30487	0.2
299.05396	0.4
300.06281	40.0
301.07034	31.2
302.07391	1.8
315.08609	100.0
316.05301	0.3
316.08960	5.6
325.10629	0.3
350.48334	0.2
355.07559	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	5.2
57.03438	3.1
57.07075	20.0
65.03944	1.5
66.19349	1.3
67.05490	8.9
69.07060	6.2
71.04982	3.1
71.31713	1.7
79.05492	6.5
81.07057	9.5
83.01351	3.8
83.04977	3.4
83.08629	3.5
85.06543	11.3
91.05476	5.4
93.07040	7.2
95.04984	2.7
95.08588	8.7
97.06524	5.8
105.07045	6.8
107.08592	5.8
109.02889	2.2
109.06517	4.8
109.10166	4.6
113.06006	3.7
119.08575	5.4
121.06486	4.3
121.10130	3.9
123.04424	2.2
123.08062	6.1
125.09653	2.1
127.07581	1.9
131.08621	2.5
133.10054	2.2
135.08075	4.6
137.05991	4.1
137.09656	2.5
139.03937	2.4
149.06004	3.7
149.09563	1.8
151.05428	1.5
151.07503	7.6
153.05473	9.4
159.08087	2.1
159.11678	1.6
161.05902	2.4
161.09636	1.8
163.07495	4.3
163.11156	2.5
165.05486	4.3
165.09134	3.3
167.03456	1.8
167.07082	1.8
169.05005	2.5
169.08617	4.7
173.09714	2.6
175.07600	1.8
177.05460	9.1
177.09097	8.3
179.06990	3.0
181.04942	8.4
181.08562	2.8
183.10213	2.5
189.09135	4.2
191.07011	15.6
191.10646	9.1
192.07825	21.7
193.08528	8.2
195.10187	13.9
197.08145	2.2
203.10634	3.2
204.07887	1.8
205.08583	27.4
205.12209	2.0
206.09308	3.6
207.10159	7.9
211.09666	3.4
215.06963	1.6
218.09328	3.1
219.10156	31.4
219.13773	4.1
220.10577	2.5
221.11725	2.3
223.09647	16.2
225.11171	8.2
229.08438	1.8
232.10953	2.7
233.11748	3.7
233.15378	4.2
235.13261	2.6
237.11234	7.7
243.13959	2.2
243.41205	1.4
245.11595	2.8
247.13277	26.5
249.11264	2.6
253.14267	3.5
259.13260	2.4
261.14838	42.1
263.12704	3.5
265.14337	33.9
266.14633	1.7
267.15982	2.6
277.14371	11.3
279.15897	100.0
280.16196	5.2
291.15887	16.2
292.16266	1.6
303.99945	1.6
305.13824	3.9
323.05740	1.7
347.28268	1.5
371.18420	2.2
375.18008	6.2
389.19586	8.9
393.19034	9.2
407.20621	3.8
441.22809	8.7
459.23770	33.1
477.24979	36.8
477.31778	7.4
478.24899	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	477.2482
Annotation	Trillenogenin
Peak:m/z	Relative Intensity
55.05494	5.5
57.03428	1.3
57.07074	13.1
59.04974	1.6
64.06407	0.9
67.05495	3.8
68.99781	3.0
69.03419	4.9
69.07051	3.1
69.75918	4.7
71.04989	2.7
76.79335	0.9
79.05482	2.9
81.03418	1.1
81.07063	4.6
83.04977	21.3
85.06540	4.7
87.04453	2.2
91.05458	3.5
93.07048	5.9
95.04952	1.9
95.08600	6.7
97.02888	4.1
97.06516	7.4
98.22649	1.1
99.04469	2.0
105.07028	3.3
107.04912	1.3
107.08576	6.0
109.06503	2.8
109.10123	2.6
111.04435	4.6
111.08078	3.7
114.54331	0.9
119.04959	1.1
119.08566	4.2
119.77370	0.9
121.06491	3.9
121.10152	7.3
123.04393	1.9
123.08041	6.2
123.11693	2.6
125.02354	4.3
125.05968	3.3
125.09600	1.9
131.08556	1.1
133.06436	1.2
133.10101	1.9
135.08058	4.0
135.11696	1.9
137.05962	2.0
137.09601	25.1
139.03874	9.8
139.07544	3.3
139.11194	6.7
141.05466	1.3
141.09076	1.3
145.10150	1.2
147.08047	3.2
147.11685	2.2
147.60092	0.9
149.02310	1.6
149.05951	4.2
149.09575	4.8
149.13211	1.1
150.10365	1.1
151.07550	1.8
151.11180	9.0
153.05443	4.6
153.09048	2.6
157.04956	1.6
161.09612	3.4
163.07500	4.8
163.11169	2.0
165.09129	5.7
167.03387	33.8
167.07059	2.7
167.10690	5.1
171.08072	1.1
173.06001	2.5
173.13306	0.9
175.07533	3.8
175.11188	1.9
175.14801	1.0
177.09090	4.4
179.06914	1.4
179.10591	2.7
181.08607	8.5
182.99513	0.9
183.02805	1.2
183.10179	3.2
185.04437	2.5
189.09079	1.5
189.12720	2.0
191.06992	6.0
191.14157	1.6
193.08582	3.3
193.12273	3.1
195.10159	8.7
199.09586	0.9
203.07004	2.5
203.14294	1.6
205.08595	2.7
205.12112	1.0
207.10091	3.2
207.13731	3.9
209.08081	39.9
209.15361	2.5
210.08279	2.0
213.12811	1.5
217.08577	1.7
217.12302	1.9
219.13815	3.1
221.08099	6.3
221.11714	1.4
221.15395	2.2
223.09639	47.3
224.09943	2.2
227.09132	3.3
231.13820	3.2
235.13271	16.8
237.14865	13.4
241.10678	3.8
247.13145	1.7
249.14870	10.7
251.16393	8.1
259.13190	1.7
273.14899	1.1
277.14334	14.3
285.14822	1.6
287.12585	1.1
289.14429	1.0
289.17804	0.9
291.15887	2.5
297.11319	1.0
301.14310	1.3
303.15790	2.4
311.12756	1.5
311.16278	1.3
315.12122	1.3
315.15826	1.1
329.13831	1.6
329.17477	1.8
333.16812	1.1
343.19058	1.4
347.18469	2.8
354.01123	0.9
357.16873	2.5
375.18002	6.9
381.16977	1.2
385.16473	1.3
389.19394	1.5
393.19043	1.9
399.17566	1.7
399.22018	1.3
422.59036	0.9
431.24255	22.5
432.24686	2.2
441.22696	4.2
455.62076	1.0
459.23737	100.0
460.24216	11.5
477.24594	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	477.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.0
55.01871	12.5
55.05509	55.9
56.05859	1.1
56.76805	0.9
57.03437	16.2
57.07066	2.4
59.05000	3.1
63.68364	0.9
65.03934	6.1
67.05503	74.2
69.03437	8.4
69.07066	18.1
71.04996	8.4
73.02954	1.1
77.03928	1.4
79.05491	77.8
80.05831	1.6
81.03413	100.0
81.07052	68.0
82.03737	1.9
82.07396	2.1
83.04977	22.4
83.05443	1.8
83.08618	40.2
84.08943	1.3
85.02901	19.2
85.06551	4.4
87.04472	1.3
91.05476	76.8
92.05801	1.8
93.07044	45.3
94.07383	1.2
95.04964	49.5
95.08601	30.0
96.08958	1.1
97.02879	4.4
97.06512	9.2
97.10165	37.5
98.10482	1.2
98.22621	3.4
99.04440	1.0
99.08107	2.6
101.09568	1.0
103.05471	4.5
105.04519	3.0
105.07026	49.4
105.07734	2.6
107.04949	38.8
107.05684	1.9
107.08589	33.5
109.02859	2.0
109.06523	13.5
109.10154	17.3
109.35603	1.0
111.04445	4.6
111.08073	15.0
113.06004	2.4
115.05442	6.4
116.06272	1.1
117.07014	19.1
119.04976	5.3
119.08578	34.6
121.06503	23.0
121.10148	15.4
123.04443	3.3
123.08054	10.9
123.11746	4.6
125.05968	2.4
125.09624	24.9
127.11282	1.0
128.06216	4.4
129.07001	25.0
131.04901	5.2
131.08557	30.2
133.06480	14.4
133.10130	23.0
133.11160	1.4
135.04422	2.1
135.08054	9.8
135.11661	6.0
137.05980	4.0
137.09625	4.7
139.07613	1.4
141.07011	4.9
142.07784	4.2
143.08537	8.9
144.08812	1.2
145.06480	15.0
145.10114	11.1
147.04439	4.1
147.08035	10.9
147.11674	22.5
149.05998	3.0
149.09579	11.1
149.13293	2.5
151.07526	4.3
151.11182	2.8
153.09109	6.7
153.12787	2.9
155.08589	6.2
157.06519	4.1
157.10120	21.8
157.11388	1.3
159.08087	5.7
159.11682	4.6
161.05994	2.3
161.09631	5.1
161.13252	1.4
163.07550	2.6
163.11165	7.6
165.09041	2.5
165.12724	3.5
167.08623	2.4
169.06477	1.2
169.10110	6.0
171.08041	4.4
171.10196	2.6
171.11726	6.2
173.05956	1.3
173.09639	4.8
173.11887	1.3
173.13274	2.2
175.07597	1.8
175.11185	18.8
177.12785	3.3
179.08586	1.9
179.10500	1.1
181.06538	1.3
181.10178	3.3
183.11671	3.1
185.09624	3.1
185.13232	3.0
187.11229	3.5
187.14836	4.3
189.09322	1.6
189.11238	15.3
189.12758	3.5
191.10678	3.0
193.12228	60.7
194.12598	2.3
195.11728	3.3
195.13739	2.1
197.09613	1.2
197.13222	3.1
199.11093	5.5
203.14307	2.3
205.12260	3.1
207.13858	1.4
209.11685	1.7
211.11252	2.4
211.13252	29.7
212.13638	1.2
213.12729	3.6
215.14357	5.5
217.12308	2.8
217.15825	1.7
219.11865	1.3
223.11304	1.5
223.13304	3.1
225.12775	2.0
227.12523	8.2
227.14687	2.0
231.13838	3.7
233.15367	11.6
235.13232	1.8
237.12762	3.2
237.14955	1.9
239.14529	1.6
241.14343	2.8
245.15349	4.2
246.12009	1.1
249.14885	4.0
251.14227	1.2
253.15749	1.8
255.13786	2.8
257.15561	1.7
259.13235	2.4
263.16483	1.4
267.15872	18.0
272.06790	2.6
273.14819	12.2
275.16296	1.9
287.16318	2.6
289.17801	1.6
291.15930	2.7
300.06342	3.4
315.08560	13.4
321.22351	2.1
336.23102	1.1
339.23071	5.6
349.21643	10.3
350.22089	1.6
357.24295	6.8
367.22675	34.0
368.23178	2.6
375.25232	1.3
385.23712	61.2
386.24106	4.6
403.24838	16.0
433.26215	1.8
441.26346	6.5
459.27399	42.8
459.33975	2.3
460.27844	3.0
477.13977	2.2
477.28479	62.3
478.28760	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	477.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.1
55.01870	13.4
55.05511	49.1
57.01737	1.3
57.03439	9.7
59.04993	2.5
65.03946	2.8
67.05502	55.6
69.03430	8.6
69.07066	15.3
69.78672	3.4
69.79057	3.3
71.04984	6.8
77.03902	2.1
79.05489	60.5
80.05825	2.2
81.03414	65.0
81.07053	57.9
83.04982	14.1
83.08611	30.1
85.02901	8.9
85.06556	3.4
91.05476	41.5
93.07043	35.2
93.87048	1.4
95.04961	32.5
95.05532	2.4
95.08602	24.9
97.02894	3.9
97.06518	7.1
97.10171	32.0
98.22697	1.8
99.08055	1.6
103.05482	3.8
105.04565	1.8
105.07022	32.6
107.04948	29.6
107.08591	28.0
109.02933	2.1
109.06520	10.6
109.10145	13.4
111.04407	2.8
111.08068	9.5
113.06003	2.4
115.05462	3.3
117.07008	17.6
119.04926	2.8
119.08565	24.0
121.06514	24.7
121.07315	2.0
121.10131	13.1
123.04446	1.8
123.08092	9.3
123.11669	2.5
125.06072	1.9
125.09625	22.5
128.06239	3.4
129.06995	17.6
131.04951	4.4
131.08559	22.4
133.06476	12.7
133.10112	13.4
135.04422	3.0
135.08047	11.2
135.11693	7.3
137.05997	4.2
137.09633	3.6
139.11208	2.0
141.06996	2.6
142.07869	3.0
143.08546	7.6
145.06473	16.5
145.10126	12.7
147.04407	5.2
147.08038	10.9
147.11659	11.7
149.06058	1.4
149.09639	7.9
149.13225	2.4
151.07449	2.2
151.11163	3.5
153.09125	5.6
153.12747	1.9
155.08546	4.8
157.06537	4.2
157.10135	12.7
159.08092	5.5
159.11681	6.8
161.06003	3.4
161.09592	4.4
163.11162	8.8
165.09286	1.8
165.12762	2.2
167.08548	2.3
169.10149	2.8
171.08058	4.5
171.10251	2.1
171.11703	5.5
173.09631	4.5
173.13316	1.4
175.11124	10.6
177.12804	3.4
181.10207	2.6
181.12163	2.0
183.11786	3.4
185.09717	2.9
185.13318	3.9
187.11168	2.2
187.14935	2.1
189.11240	16.5
189.12798	4.9
191.10666	2.4
193.10457	3.2
193.12242	36.4
193.13965	2.3
194.85724	1.5
195.11688	1.6
195.13873	1.7
197.13268	3.9
199.11244	4.5
201.12680	1.9
203.14178	1.6
205.12239	2.8
209.11658	2.3
211.13213	12.1
211.14922	1.5
213.12718	3.0
215.14346	4.8
217.12277	3.6
223.13248	1.9
227.12712	11.4
231.13748	2.8
233.15317	17.2
237.12859	2.0
241.14307	2.2
243.13872	1.4
245.15428	2.3
249.14919	3.9
255.13773	3.4
261.15079	2.2
267.15894	12.5
272.06763	20.3
273.14868	12.6
275.16437	1.8
287.16159	2.1
290.39420	1.3
291.15906	3.1
300.06290	10.6
315.08606	100.0
316.09134	8.2
321.22308	1.8
331.08167	5.0
331.20837	2.3
339.23184	6.2
341.21274	5.0
349.21561	14.1
357.24188	8.5
367.22687	31.9
368.23047	3.4
385.23709	47.0
386.24258	2.9
403.24817	19.2
415.24997	2.0
433.25681	3.5
441.26190	4.6
459.27377	45.0
460.27924	6.0
477.14090	6.2
477.21494	2.9
477.28482	47.0
478.28867	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	477.3573
Annotation	25-Methyldolichosterone
Peak:m/z	Relative Intensity
50.11894	2.4
53.03924	3.2
55.01878	3.1
55.05504	13.7
57.07072	4.1
67.05497	16.0
69.03416	7.6
69.07050	20.2
69.11697	27.7
71.05006	4.2
79.05492	16.5
81.07051	33.1
83.04977	8.0
83.08620	10.2
85.06547	5.0
91.05468	17.4
93.07042	34.9
95.04932	3.9
95.08604	45.7
97.06548	9.7
97.10165	7.4
101.07620	2.6
105.07019	28.9
107.08591	53.2
109.10147	48.7
111.08084	13.0
117.07007	5.3
119.08582	40.1
121.06540	6.0
121.10143	79.0
123.08077	5.7
123.11709	13.5
125.09612	25.4
127.11195	13.9
131.08588	11.6
133.10138	34.8
135.08029	4.8
135.11678	30.8
139.07518	16.6
139.11230	5.7
143.08559	5.8
143.10667	12.2
145.10121	20.6
147.11682	21.3
149.09642	8.4
149.13274	11.7
151.07591	3.8
155.10602	4.2
157.08621	5.0
157.10127	9.0
159.11708	30.8
161.13243	15.0
163.14867	5.1
165.09106	4.1
167.10677	12.0
171.11705	8.9
173.13297	12.5
175.14825	8.2
177.16408	3.8
183.11642	6.4
185.13287	12.0
187.14793	18.2
189.16397	12.4
191.17967	5.9
195.13786	10.0
197.13228	6.1
199.14833	11.4
201.16380	29.0
203.17953	30.8
211.14877	5.0
213.16362	11.4
215.17950	7.6
223.13150	5.0
225.16417	4.0
227.17915	13.5
229.26247	3.0
233.15372	35.2
237.15001	2.8
239.17961	5.0
251.16328	21.9
255.20981	3.7
257.22607	5.2
261.93991	3.0
269.17334	3.1
269.22681	22.3
293.22437	3.8
311.23154	2.8
327.23276	5.3
423.32300	30.5
441.33560	100.0
442.33740	5.9
477.29697	20.1
499.53320	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	478.192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	5.5
57.03439	13.8
59.05001	3.2
69.02215	25.3
69.02636	10.9
69.03425	13.3
69.25146	2.7
70.06564	2.6
71.04994	8.6
71.08630	12.4
71.42472	3.1
78.55431	2.8
79.05491	3.1
81.03422	11.6
81.07050	5.6
83.05001	8.8
85.02908	22.5
85.06562	4.1
89.06023	12.4
91.05482	28.4
95.04941	3.5
95.08598	3.3
97.02907	26.6
99.04452	6.2
99.08088	20.9
103.16242	3.3
105.07045	4.4
107.04987	3.5
109.02893	15.3
111.04433	8.3
117.05515	5.9
117.09137	100.0
117.09970	6.1
119.08586	55.4
121.02885	7.0
121.10145	3.6
123.04416	2.7
127.03927	22.8
127.07542	3.5
131.07027	7.3
133.08566	4.3
137.05978	7.5
145.04965	25.2
149.06108	4.8
151.03831	3.3
152.07210	3.5
153.01831	4.3
162.06927	2.9
163.05978	5.9
211.74031	3.3
213.11308	4.5
233.08101	7.9
251.08688	3.5
289.12781	7.3
303.04861	4.6
317.10172	7.3
435.10352	3.1
478.17734	21.6
479.21167	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	478.207
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63353	9.8
57.62139	10.2
65.07996	9.9
67.05493	16.5
71.32984	11.5
81.07038	23.7
88.89524	9.7
91.05499	19.3
91.27686	10.0
93.07037	23.8
95.08587	26.0
97.43184	12.1
103.05459	46.5
105.07026	35.6
107.08588	23.4
109.10165	21.3
119.08598	25.8
123.08039	13.6
131.04932	100.0
131.08591	13.5
133.10086	13.1
137.06006	25.5
137.09601	13.1
147.04382	13.5
147.11716	13.4
157.10046	14.9
161.05986	36.5
163.07578	22.4
171.11713	11.6
179.07045	24.1
291.09903	19.2
401.53467	11.9
479.27377	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	478.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	9.1
57.05253	2.1
59.10844	2.1
67.05515	4.8
69.03426	4.5
69.07072	2.4
69.09795	22.1
71.04990	64.2
75.04467	4.3
79.05479	17.6
79.89529	2.4
81.03407	2.7
81.07011	3.0
83.04987	7.7
84.86565	2.0
85.02902	91.3
87.04473	3.9
91.05480	12.6
92.91889	2.3
93.07039	53.4
95.04953	3.0
95.08618	6.6
97.02883	3.9
103.05477	3.3
105.07014	4.9
107.08581	12.5
108.96000	1.9
109.02909	3.0
109.06514	3.0
109.10165	3.9
111.04431	2.6
115.03931	3.6
119.08524	2.9
121.10140	4.1
123.04453	3.5
127.03897	4.5
129.05475	36.4
133.10254	2.4
135.11681	16.2
137.05968	10.5
139.11136	2.9
147.06520	15.8
147.11732	2.8
152.14211	2.9
164.09225	7.3
165.09030	3.7
167.07106	2.2
167.10698	4.2
169.01230	2.6
219.13876	2.7
233.33496	2.3
274.04684	11.0
286.48419	2.3
296.09857	2.4
302.04233	36.1
316.08728	2.7
317.06534	100.0
367.13583	2.6
478.31772	15.1
479.15704	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	478.2928
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
53.03940	1.0
55.01857	0.4
55.05511	13.7
56.05833	0.4
57.03173	0.5
57.03436	7.4
57.07069	1.9
62.06067	0.5
65.03925	1.2
67.05504	28.4
68.05831	0.5
69.07068	16.8
69.74491	0.8
69.74886	0.6
70.07420	0.3
71.04975	0.7
71.08617	0.9
72.56169	0.2
77.03924	0.3
79.05490	8.4
80.05829	0.3
81.07053	28.0
82.07388	0.6
83.04958	0.9
83.08619	7.6
85.06523	0.8
85.10163	0.4
91.05485	5.5
92.05735	0.2
93.07042	6.5
95.04955	0.7
95.08604	19.9
96.08887	0.3
97.06516	1.6
97.10171	3.6
98.06052	0.3
98.98447	0.5
99.08088	0.7
105.07026	4.1
107.08594	4.5
109.06483	0.6
109.10152	8.3
111.08064	1.2
111.11697	0.8
119.08591	3.7
121.10142	3.4
123.08051	0.8
123.11702	3.2
124.01593	0.5
125.09609	0.5
131.08585	0.4
133.10126	3.2
135.08110	0.3
135.11678	1.7
137.09592	0.4
137.13274	1.5
139.11223	0.4
145.10129	0.4
147.11693	2.0
149.13237	0.7
151.11172	0.4
159.11713	0.6
161.13261	1.7
163.14850	1.0
165.12637	0.5
165.16409	0.5
173.13202	0.4
175.14815	1.1
177.16275	0.4
187.14920	0.3
189.16360	0.5
193.15799	0.3
198.05147	0.4
216.06355	0.8
219.17435	0.3
245.22681	0.4
263.23718	1.3
270.48135	0.3
306.27927	3.7
337.27347	100.0
338.27698	7.8
478.29077	0.7
479.30515	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	478.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.1
55.05519	15.7
57.03441	7.3
57.07074	4.9
60.42992	1.1
61.35690	1.2
62.06089	34.6
65.03944	1.6
67.05507	40.3
67.77106	1.0
69.03406	1.3
69.07072	20.0
69.77249	1.1
71.04993	1.9
71.08596	1.1
79.05499	10.6
81.07059	36.2
83.04977	4.7
83.08636	8.0
85.06529	1.6
91.05486	8.3
93.07047	15.3
95.04968	1.9
95.08026	2.0
95.08607	30.7
97.06545	1.4
97.10161	3.6
98.23439	2.1
98.98478	13.2
105.07062	6.4
107.08614	10.0
109.10160	13.0
111.08113	1.8
119.08593	5.3
121.10142	6.3
123.08120	2.0
123.11705	4.3
124.01589	1.9
131.08565	2.6
133.06511	1.2
133.10120	5.6
134.10504	1.3
135.11720	2.6
137.09645	2.2
137.13274	2.6
139.11093	1.3
145.10126	1.8
147.11722	2.9
149.13214	2.5
153.48599	1.3
155.01086	8.7
158.03714	1.2
161.13261	2.2
163.14841	2.9
167.03441	1.2
173.02028	1.3
175.14819	1.4
198.05334	2.4
209.08072	3.2
209.98058	1.2
210.08423	3.3
216.06369	2.8
223.09628	2.4
224.09999	3.7
237.14983	1.4
245.22643	1.9
252.16792	1.2
263.23770	6.2
278.14584	2.7
303.04996	3.9
306.27884	12.6
319.26544	1.9
323.57904	1.2
337.27368	100.0
338.27670	5.8
357.80585	1.4
417.24399	1.6
432.24362	3.6
460.23801	15.4
478.29532	4.0
479.31573	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	478.337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90947	1.2
53.03941	2.3
55.05508	7.2
56.05038	6.2
57.03437	3.1
57.07081	3.3
58.12724	1.4
60.04526	94.6
61.02935	1.5
67.05506	10.8
69.03423	8.2
69.07059	7.2
69.21554	9.6
69.21964	2.5
72.04522	6.1
73.02916	2.2
74.06084	5.8
79.05495	5.3
81.03429	5.1
81.07056	12.4
82.06568	2.0
83.08617	5.9
84.04513	4.9
85.02905	13.1
86.06065	3.6
87.86675	1.4
90.05544	1.6
91.05488	4.4
91.72594	1.2
93.07052	5.6
94.06552	1.7
95.05011	1.4
95.08593	9.7
95.13704	1.3
96.05544	1.5
97.02907	5.6
97.06568	1.3
97.10188	1.6
98.06025	1.8
99.04456	1.6
102.05530	7.3
105.07035	3.8
107.05067	1.3
107.08617	5.9
109.02888	2.5
109.10177	6.4
115.17416	1.4
119.08582	4.0
121.10159	1.8
127.03911	2.2
131.08626	1.7
133.10187	2.8
143.37047	1.6
145.10127	2.2
159.11748	1.7
175.17494	1.2
188.09206	1.5
196.53397	1.3
206.10251	4.7
224.11253	7.8
258.95892	1.2
262.25168	2.5
270.55353	1.3
280.26367	12.3
298.27463	13.1
303.04895	1.7
316.28445	100.0
317.07217	1.4
317.28754	4.4
340.28458	1.4
358.29486	5.2
359.30154	1.4
380.20901	1.4
442.31296	2.9
460.32413	5.3
478.33749	34.8
479.31311	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	478.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	7.3
67.05497	10.4
69.07056	8.8
69.28594	21.1
71.08009	3.0
79.05466	7.4
81.07045	11.9
82.78231	2.3
83.08614	6.2
85.06512	3.1
85.10107	2.7
91.05476	6.2
93.07044	18.3
95.08598	31.4
97.06557	2.7
105.07021	8.5
106.82283	2.8
107.08598	14.2
109.10158	11.6
111.08079	5.1
119.08588	15.2
121.10149	16.7
123.11687	5.2
131.08578	4.5
133.06494	3.9
133.10114	7.7
134.72801	2.5
135.08151	2.8
135.11665	12.9
145.10139	6.5
147.08127	2.9
147.11667	7.6
149.13376	3.3
157.10226	5.6
159.11652	3.9
161.13284	5.0
163.14833	6.6
171.11734	4.5
173.13260	6.1
175.11186	3.0
175.14780	3.0
180.54327	2.5
187.14825	6.3
189.12820	3.4
189.16367	6.3
191.10689	2.6
191.17940	4.8
199.14902	2.8
200.20097	4.0
201.16321	3.3
205.15944	4.6
217.15892	11.6
219.17429	5.4
229.19568	4.3
235.16913	3.4
245.18938	3.9
274.01996	2.9
288.36462	2.8
306.28015	4.1
307.94302	3.0
407.33066	19.3
425.34311	27.6
426.34097	4.1
443.28278	2.7
443.35275	4.8
478.29892	17.5
479.29633	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39252	8.6
68.93545	8.8
70.06571	10.1
71.31626	16.8
73.16860	8.7
74.32144	8.2
75.55502	9.9
88.78606	9.2
94.93024	57.3
136.94011	100.0
148.94023	27.6
166.95148	53.0
185.02847	10.4
196.95973	16.5
198.06221	16.0
202.89093	71.0
206.88559	12.4
216.07275	11.3
248.89635	85.7
256.98257	36.9
268.98251	9.3
273.81082	8.8
284.83621	32.3
306.90250	15.3
344.85590	32.2
370.09799	9.5
381.07941	97.6
419.03448	63.8
421.78717	9.5
451.13705	8.6
462.18323	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	479.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	0.4
56.51525	0.2
57.03436	1.0
65.03949	0.3
68.99769	1.0
69.03417	0.5
70.82360	0.4
70.82692	0.2
71.01349	1.8
73.02916	3.5
75.04469	0.2
81.03427	0.3
85.02901	8.6
93.03407	0.4
95.01340	1.1
95.04965	0.3
97.02853	0.6
99.00798	0.7
101.02353	0.8
103.03925	0.5
104.45396	0.2
109.02890	0.4
111.00784	1.2
113.02367	4.1
115.94532	0.2
121.02860	1.0
121.06468	0.2
123.04411	0.3
125.83713	0.2
127.03918	0.2
131.03378	2.1
131.04922	0.2
137.02339	3.8
137.03351	0.4
141.01817	1.4
145.06377	0.2
149.02321	0.5
153.01819	4.5
155.04831	0.3
159.02867	1.6
161.06000	0.5
163.03864	0.7
165.01834	2.4
166.02631	0.5
173.02318	0.2
173.05927	0.5
183.02861	1.1
183.04367	0.4
183.06497	0.4
187.03867	0.3
196.27568	0.2
201.05489	2.1
229.04936	4.6
230.05356	0.3
247.05988	0.6
257.00729	0.7
257.04440	3.2
257.06879	0.4
266.88205	0.2
274.04663	0.7
275.05249	0.3
285.00256	1.0
285.03909	1.3
303.04959	100.0
304.05313	5.7
317.02893	2.1
372.27914	0.2
468.75574	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0819
Annotation	Herbacetin 8-glucuronide
Peak:m/z	Relative Intensity
53.03937	0.2
53.08158	0.1
54.84732	0.1
55.01871	0.2
55.24488	0.2
57.03420	0.4
58.06213	0.2
59.56323	0.2
61.02907	0.5
66.90295	0.2
69.03426	2.0
71.04984	0.9
73.02909	0.3
81.03405	0.8
85.02899	4.8
87.04449	0.3
91.03938	0.2
97.02886	2.4
99.04437	0.5
100.54343	0.2
105.07015	0.2
107.04967	0.2
109.02883	0.7
113.59866	0.2
117.03387	0.4
123.04417	0.2
127.03892	0.9
129.05408	0.2
134.03687	0.2
137.05980	0.4
145.02858	0.9
145.04927	0.7
151.03915	0.2
152.40073	0.2
153.01822	0.4
156.15509	0.1
162.03104	0.2
173.02325	2.6
179.10646	0.4
189.01823	0.2
190.02594	0.7
191.06874	0.2
201.01808	7.1
202.02260	0.3
215.03343	0.2
218.02107	1.2
227.03316	0.3
229.01321	3.3
229.03508	0.2
230.01794	0.3
243.02759	0.2
246.01582	1.9
246.94228	0.2
247.02231	0.3
257.00793	32.0
258.01205	1.4
271.02335	0.5
274.01059	1.5
285.00269	43.2
286.00845	4.0
289.03445	0.2
299.01736	0.3
302.00552	6.5
303.00925	0.4
317.02887	100.0
318.03262	5.7
433.37778	0.2
479.08325	0.4
479.16559	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0817
Annotation	Quercetin-3-Glucuronide
Peak:m/z	Relative Intensity
55.01867	0.3
57.03436	1.4
65.03934	0.3
67.01868	0.3
68.14403	0.2
68.26093	0.2
68.99785	1.2
69.03428	0.4
69.07366	0.4
69.07788	1.4
71.01356	2.1
73.02915	3.4
75.04473	0.3
83.01328	0.3
85.02901	9.5
86.03220	0.2
93.03387	0.5
95.01329	1.6
95.04958	0.4
97.02875	0.5
98.23344	0.4
99.00803	0.8
101.02372	0.6
103.03935	0.7
109.02858	0.6
111.00813	1.5
113.02356	4.7
119.12872	0.2
121.02852	1.4
123.04418	0.2
127.03951	0.4
131.03410	2.0
137.02335	4.4
141.01822	2.1
145.06462	0.2
149.02316	0.6
149.06049	0.2
153.01826	5.8
155.04883	0.5
159.02872	1.6
161.05952	0.5
163.03905	0.8
165.01830	3.3
166.02638	0.4
173.05969	0.6
177.05411	0.4
179.03410	0.2
179.06854	0.2
183.02872	1.1
183.04311	0.3
183.06456	0.3
187.03873	0.6
189.09050	0.2
191.03365	0.4
195.02837	0.4
201.05420	2.3
205.04839	0.2
219.02870	0.2
219.06596	0.3
228.04073	0.3
229.04951	5.8
230.05247	0.3
247.06129	0.8
250.12668	0.2
257.00815	0.5
257.04422	3.4
274.04669	0.9
275.05426	0.6
285.00491	0.5
285.03931	2.0
299.08774	0.2
302.04553	0.2
303.04962	100.0
304.05304	5.6
312.51208	0.2
317.03024	1.3
320.05029	0.3
398.77777	0.2
463.51843	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1181
Annotation	6-Hydroxykaempferol 3-methyl ether 6-glucoside
Peak:m/z	Relative Intensity
58.53489	0.1
69.03468	0.2
69.14952	0.8
69.15375	0.4
71.05045	0.6
79.05527	0.3
85.02907	1.2
86.03285	0.2
91.05515	0.3
93.07040	0.6
95.36109	0.1
97.02908	0.3
103.05508	0.1
107.08648	0.2
114.09238	0.2
123.04472	0.2
129.05525	0.2
130.05801	0.2
133.60497	0.1
135.04533	0.1
137.06062	0.5
139.03954	0.2
147.06618	0.2
149.06030	0.3
151.03973	0.3
167.07080	0.2
168.00594	0.2
169.01297	2.3
177.05539	0.2
218.05798	0.2
229.04970	0.2
245.04483	0.4
246.05185	0.3
274.04709	16.9
275.05029	1.1
302.04184	40.9
303.04584	2.5
317.06522	100.0
318.06879	5.8
346.90845	0.2
403.54584	0.2
418.51816	0.1
479.11551	5.7
479.29996	1.0
480.11902	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1186
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
53.03942	0.3
53.39919	0.2
55.01867	0.3
57.03430	0.8
59.42459	0.2
59.94941	0.2
61.02926	1.2
65.03944	0.3
67.09149	0.2
68.99806	0.3
69.03112	0.3
69.03432	2.4
71.04979	0.2
71.31562	0.4
73.02907	0.6
73.80598	0.2
79.05486	0.3
81.03413	1.1
85.02408	0.3
85.02905	5.8
86.03224	0.2
91.03955	0.4
92.02603	0.9
93.03413	0.9
93.07056	0.3
95.04956	0.3
97.02894	2.4
99.04452	0.3
105.07034	0.3
107.04955	0.4
109.02872	0.8
121.02866	1.1
123.04446	1.1
126.03143	0.3
127.03922	0.9
135.04396	0.2
137.02345	0.6
137.05994	0.5
139.03969	0.2
145.04985	0.8
145.06433	0.2
151.03891	0.9
151.07552	0.3
153.01828	6.2
163.03951	0.5
164.59320	0.2
165.01878	0.6
167.03398	0.4
169.01266	0.4
173.06000	0.2
175.07504	0.2
177.05455	0.2
179.03328	0.2
193.12247	0.2
200.04730	0.3
201.05460	0.5
203.03404	0.4
203.06985	0.2
214.44310	0.2
215.06841	0.2
217.04985	0.9
218.05745	0.7
228.04152	1.5
229.04977	2.1
231.02737	0.5
243.06549	0.7
245.04553	1.4
246.05197	1.7
256.03903	0.2
257.04407	1.2
261.07660	0.3
271.06110	0.3
273.03778	1.1
274.04703	6.3
275.05362	0.3
276.23376	0.2
284.03253	0.3
285.03922	2.4
299.05487	0.4
301.03436	0.4
302.04196	17.2
303.04865	2.9
317.06546	100.0
318.06903	6.7
329.06464	0.3
357.37796	0.2
360.05582	0.2
470.75412	0.2
491.16486	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1184
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
55.01866	0.6
57.03430	0.4
61.02933	2.7
65.03922	0.5
69.03436	1.1
69.07069	0.5
69.19041	3.0
71.04982	0.5
73.02906	1.4
78.99655	0.3
79.05497	0.5
81.03416	0.8
81.07053	0.7
83.01339	0.4
85.02900	4.5
86.82287	0.4
91.03956	1.4
91.05486	1.1
92.02638	0.5
93.03416	0.8
93.07043	1.0
95.04954	1.0
95.08599	0.4
97.02905	2.2
98.22614	0.7
99.04442	0.3
105.07045	0.9
107.08602	0.6
109.02896	0.8
113.02423	0.4
119.08622	0.4
121.02869	1.4
121.10152	1.0
123.04433	1.1
127.03941	0.8
133.10054	0.7
135.04401	0.8
136.70163	0.4
137.02327	2.7
137.05986	2.0
139.03944	0.5
143.08531	0.4
145.05017	0.4
145.10127	0.4
151.03885	1.3
151.07468	0.5
153.01828	4.8
163.03876	0.8
163.11198	0.7
165.01808	0.6
167.03386	2.5
167.07086	0.5
172.05223	0.4
175.07448	0.4
177.05482	0.4
179.03360	1.1
187.03889	0.5
197.05952	0.5
201.05453	1.0
215.07051	0.8
217.04915	0.6
228.04176	0.8
229.04982	1.9
243.06541	2.4
244.07130	0.4
245.04471	0.8
246.05244	1.1
257.04437	1.4
261.07657	0.8
271.06030	1.5
273.03900	0.6
274.04617	2.1
283.15393	1.3
284.03116	0.4
285.04025	2.1
288.06226	0.7
299.05603	0.7
302.04205	7.5
303.04980	7.5
304.05402	0.6
317.06546	100.0
318.06863	6.4
318.10211	0.3
364.48367	0.3
479.18222	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1183
Annotation	6-Hydroxykaempferol 3-methyl ether 6-glucoside
Peak:m/z	Relative Intensity
57.94760	0.2
65.03933	0.2
67.05520	0.3
69.03448	0.3
69.39406	0.2
71.34311	0.3
79.05521	0.2
80.99620	0.2
85.02909	0.4
88.97693	0.2
90.62221	0.2
91.05476	0.3
105.07053	0.4
110.03638	0.6
115.05428	0.2
137.02306	1.7
137.06006	0.9
147.04424	0.3
150.03099	0.3
151.03912	0.8
153.01846	1.3
161.05997	0.2
193.01320	0.4
200.04707	0.5
204.04172	0.7
217.05115	0.3
218.03564	0.2
218.05803	0.2
228.04137	3.0
229.05022	1.2
245.04445	1.3
246.05119	0.3
256.03629	0.9
257.04388	1.1
273.03888	1.1
274.04697	5.0
275.05084	0.3
285.03891	1.1
301.00711	0.2
301.03412	11.8
302.04178	49.2
303.04614	2.7
303.07532	0.3
317.06519	100.0
318.06842	5.8
327.15933	1.8
335.23126	0.2
359.13022	1.3
479.11475	2.8
479.20999	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1183
Annotation	CHEBI:75783
Peak:m/z	Relative Intensity
61.23615	0.2
65.03925	0.4
69.03403	0.3
70.59076	0.2
75.63458	0.2
77.35254	0.4
78.01025	0.3
79.05467	0.3
85.02869	0.4
91.05461	0.6
93.03409	0.3
93.07014	0.3
94.00420	0.2
95.04971	0.3
95.08596	0.4
96.58431	0.2
98.23327	0.7
103.05473	0.4
103.81818	0.2
105.07038	0.4
107.04967	0.3
107.08578	0.4
110.03651	0.8
123.04388	0.5
137.02364	1.5
137.05988	1.9
151.03923	1.2
151.07530	0.3
153.01813	1.6
163.03857	0.8
165.05486	0.3
167.07021	0.6
175.07558	0.3
181.04961	0.4
189.09225	0.3
197.07793	0.3
200.04642	0.6
204.04178	0.5
217.04944	0.4
218.05716	0.4
228.04146	2.4
229.04895	1.3
245.04364	1.2
246.05159	0.3
253.08650	0.3
256.03848	0.5
257.04501	1.1
258.04974	0.3
273.03909	0.6
274.04706	4.0
285.03839	1.4
301.03403	11.7
301.06851	0.6
302.04178	48.9
303.04608	3.3
317.06528	100.0
318.06851	5.8
327.15829	1.7
359.13181	1.7
461.16278	0.4
479.11227	2.4
479.20511	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
55.01857	0.8
55.05511	5.1
57.03441	1.6
57.07074	0.6
65.03944	0.5
67.05166	0.5
67.05502	7.6
68.83125	0.3
69.03443	1.5
69.07067	4.0
71.04984	1.2
71.31627	0.3
71.32116	0.5
73.02895	0.4
79.05489	7.8
80.05853	0.5
81.03416	3.4
81.07055	11.8
82.07381	0.4
83.04977	1.4
83.08620	2.3
85.02900	1.5
85.06530	1.0
91.05482	7.8
93.07047	6.8
95.04964	2.8
95.08609	5.5
97.02905	0.7
97.06518	1.4
97.10189	1.8
99.04482	0.5
99.08063	0.6
103.05457	1.4
105.03380	0.9
105.07025	5.7
106.07346	0.4
107.04944	3.2
107.08589	5.0
108.05261	0.4
109.02860	0.8
109.06518	4.6
109.10149	2.4
111.04443	0.7
111.08069	1.2
113.05991	0.4
115.05482	0.6
117.07018	1.9
119.04952	1.1
119.08591	3.4
121.02855	0.4
121.06509	2.4
121.10136	3.3
122.03672	0.7
122.10449	0.3
123.04434	0.7
123.08044	1.0
123.11703	1.9
125.09619	1.0
126.09937	0.3
128.06216	0.9
129.07040	1.7
131.04926	0.9
131.08572	2.3
133.06502	1.1
133.10114	3.4
135.04488	0.4
135.08110	1.8
135.11693	1.8
137.02373	0.5
137.05972	4.5
137.09598	1.1
139.11163	0.5
141.07022	0.5
143.08557	1.7
144.09148	0.4
145.06508	0.8
145.10141	2.0
147.08006	1.0
147.11691	2.5
149.05980	1.2
149.09633	1.3
149.13255	1.5
151.03920	1.9
151.07535	3.0
151.11177	0.8
153.01860	0.4
153.09145	0.4
155.08554	0.8
157.06485	0.8
157.10091	1.1
159.08070	1.4
159.11702	1.8
161.05980	0.7
161.09637	0.7
161.13293	0.6
163.03963	0.5
163.07533	1.3
163.11220	0.8
165.05545	0.4
165.09123	1.2
165.12788	1.0
167.07065	0.3
167.08530	0.5
169.08609	0.3
169.10101	0.4
171.08040	4.1
171.11653	0.4
172.08823	1.1
173.09575	0.7
173.13295	0.9
175.07561	1.6
175.11182	1.1
175.14883	0.4
177.09087	0.4
177.12721	0.9
179.07147	0.5
179.10713	0.3
183.11668	0.5
187.07520	2.9
187.14882	0.5
189.09146	0.4
189.11174	0.6
189.12700	0.4
189.16472	0.5
191.14330	1.0
193.08611	0.6
193.12245	1.9
195.08104	0.4
195.13907	0.5
197.09607	0.8
199.07509	0.4
199.14799	0.5
201.08952	0.3
201.12662	0.4
201.16370	0.4
203.10577	0.4
203.14432	0.4
209.09616	0.5
211.11209	0.8
211.13326	1.2
212.08278	0.3
213.05508	1.1
213.09055	0.4
217.15833	0.4
219.13811	2.1
221.15407	0.4
227.10701	0.8
231.08127	0.5
233.15404	0.4
234.06668	0.4
235.11284	0.4
243.15852	1.7
245.07822	1.1
248.08461	0.4
249.09085	0.6
251.07027	0.4
257.10043	0.5
267.10086	0.7
267.16058	0.5
275.10999	1.8
277.08545	0.7
291.10092	0.7
293.07993	0.4
293.17490	1.1
294.08725	0.5
303.05008	5.4
304.05240	0.5
305.08212	0.4
309.07672	0.6
309.11264	0.9
311.09146	0.4
317.13531	2.3
317.21048	0.4
322.08514	0.4
323.09262	0.5
325.10950	0.6
337.10712	3.5
351.23044	0.6
355.11838	0.5
359.25726	0.4
369.23984	1.0
387.24805	1.5
423.12500	0.5
433.16901	0.5
433.31216	0.6
443.28848	0.4
443.35052	0.7
461.15909	7.0
461.29211	2.4
461.36063	0.6
462.15585	0.5
462.29468	0.4
479.18851	100.0
479.30029	3.5
480.19125	8.0
480.25903	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.9
53.46582	0.3
55.01868	1.4
55.05512	4.6
55.45710	0.3
56.05853	0.4
57.03435	1.3
65.03944	0.8
65.73792	0.3
67.05161	0.6
67.05508	9.1
68.05872	0.4
68.75768	0.3
69.03436	1.1
69.07075	3.1
69.12248	0.3
69.21064	2.9
70.25938	0.4
71.05002	1.1
71.43291	0.4
75.35516	0.4
79.05497	7.1
80.05840	0.4
81.03416	2.6
81.06580	0.7
81.07059	12.0
83.04985	1.4
83.08615	2.1
85.02905	1.9
85.06556	1.6
91.05484	7.4
93.07057	6.5
94.04190	0.5
95.04986	2.4
95.08607	5.1
97.02924	0.5
97.06541	1.5
97.10175	1.9
99.04482	0.6
99.08098	0.4
103.05454	1.9
105.03405	1.0
105.07034	4.9
105.89599	0.4
107.04958	2.6
107.08606	4.6
108.08956	0.3
109.02884	0.7
109.06532	4.4
109.10157	2.9
109.24779	0.3
111.04460	0.5
111.08099	1.1
113.02446	0.4
113.05988	0.3
115.05520	0.6
117.07016	1.7
119.04967	1.1
119.08591	3.7
121.06499	1.8
121.10134	3.4
123.04453	0.9
123.08078	1.1
123.11678	1.7
125.09660	0.8
127.03925	0.4
128.06259	1.1
128.45825	0.4
129.06989	1.9
131.04926	1.0
131.08594	3.0
133.06505	0.7
133.10158	2.8
135.04457	0.8
135.08055	1.9
135.11678	1.7
137.06009	4.9
137.09596	0.6
139.11215	0.6
143.08557	1.7
145.06516	1.1
145.10168	1.5
147.04440	0.6
147.08063	1.0
147.11702	2.1
149.06017	0.9
149.09688	0.8
149.13264	1.4
151.03964	1.4
151.07518	3.0
151.11221	0.7
153.06993	0.4
155.08519	1.1
157.06500	1.0
157.10191	1.2
159.08101	1.2
159.11703	1.3
161.05998	0.6
161.09650	0.4
161.13246	0.8
163.07561	0.9
163.11205	1.2
165.05530	0.8
165.06924	0.5
165.09166	1.1
167.03365	0.4
167.07104	0.8
171.08073	3.1
171.11670	0.6
172.08867	1.1
173.09631	0.7
173.13286	0.9
175.07593	1.0
175.11186	0.8
177.05544	0.5
177.12781	0.7
179.08688	0.4
183.11725	0.4
185.09523	0.4
187.07565	2.9
187.11247	0.5
187.13249	0.5
187.14844	0.6
191.14360	0.9
193.08577	0.6
193.12248	1.8
195.08121	0.7
195.13734	0.5
197.09619	0.8
199.14871	0.7
201.12819	0.4
203.08775	0.5
209.09744	0.6
211.11189	1.3
211.13356	1.6
213.05589	0.7
219.13881	1.6
223.11041	0.5
225.09271	0.5
227.10652	1.1
229.04871	0.5
243.15948	1.8
245.07991	1.1
248.08304	0.4
249.09200	0.7
251.07091	0.5
257.10175	0.6
259.07602	0.6
267.10287	0.6
267.13489	0.4
275.11017	1.3
277.08551	0.8
291.10199	0.5
293.17459	1.1
295.09601	0.4
303.04990	6.2
309.11209	0.5
317.13647	1.5
333.18164	0.4
337.10641	2.2
339.12442	0.4
351.23248	0.5
355.11887	0.6
369.24026	0.7
387.25113	1.1
405.25830	0.5
433.16769	0.5
433.31015	0.6
443.35062	0.6
461.15961	5.5
461.29428	2.4
461.36151	0.6
479.18887	100.0
479.30173	3.4
480.19250	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	479.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48780	0.9
53.03942	1.4
55.01878	1.3
55.05502	1.5
56.63018	0.8
63.66319	1.0
65.03931	2.0
67.05499	3.2
69.03412	2.7
71.33994	0.9
79.05480	5.5
80.51987	0.8
81.07053	2.7
84.28143	1.1
85.02898	1.5
86.81130	0.9
91.04914	2.1
91.05474	21.2
91.63266	1.0
93.07039	3.4
94.04182	3.9
95.04968	3.4
95.08611	3.2
97.02894	1.3
103.05447	3.0
105.07066	5.2
107.04971	5.1
107.08591	2.2
108.05728	2.1
109.06524	3.4
111.04482	0.9
115.05441	5.4
117.07018	5.0
119.04935	11.8
119.08570	1.6
121.06460	5.9
121.10168	1.1
122.03617	8.5
123.04402	2.2
123.08067	6.9
128.06227	3.3
128.16675	0.9
129.07002	7.7
131.04906	4.4
131.08560	2.0
133.04951	1.4
133.06517	2.3
135.04396	1.8
135.08031	3.1
136.05196	3.7
137.05969	100.0
138.06337	2.0
143.04936	2.4
143.08519	0.9
145.06487	3.1
146.07234	1.3
147.04448	1.3
147.08038	2.0
149.05969	3.5
149.09587	2.5
149.13225	1.2
151.03929	4.2
151.07532	69.2
152.07809	1.4
153.07019	1.5
157.06473	4.0
159.08032	1.2
161.05971	23.0
161.09573	5.1
163.07503	7.9
165.05498	1.1
165.06985	2.1
165.09088	5.5
167.06998	2.3
167.08470	1.8
174.06801	2.8
175.07558	6.3
177.05586	1.0
177.07065	1.6
177.09113	7.8
178.07791	1.1
179.08583	1.2
181.05049	1.1
181.06473	3.0
182.07265	1.4
185.05920	1.0
187.07518	2.5
189.09039	11.9
193.06442	1.2
194.07333	2.7
195.08171	3.4
195.10135	33.9
196.10463	1.6
197.05949	1.8
199.07491	1.1
202.07742	1.4
205.06444	4.6
205.08476	2.2
207.08055	2.6
207.10191	5.3
209.05974	1.0
209.09680	1.6
210.06750	2.9
211.07645	1.5
213.09134	1.6
219.08031	2.6
221.05966	2.7
222.06702	2.5
223.07483	2.6
224.08235	1.1
225.09090	3.1
227.06969	1.2
233.05923	2.9
234.06685	2.4
235.07600	2.4
236.08333	1.2
237.09158	7.3
238.06129	2.7
239.06981	1.1
239.10550	1.7
240.07762	1.3
241.08527	1.8
245.09761	1.4
247.07396	1.5
248.08250	1.1
249.09015	2.1
250.06232	2.8
251.06972	1.9
251.10658	2.4
253.08485	4.5
254.09207	1.3
255.10231	1.8
263.07111	1.2
263.10822	1.2
265.08575	17.5
266.09125	2.1
267.10114	2.7
268.07053	1.7
269.08038	1.6
269.65689	0.9
270.08612	1.2
273.08990	1.3
273.11533	1.3
277.08691	2.7
279.10092	2.2
281.08115	1.1
281.11865	1.3
283.09619	5.9
284.10342	2.3
285.11221	11.8
293.11777	2.0
297.11191	17.5
299.12811	2.0
303.05286	1.3
305.11697	3.3
309.11200	1.9
311.12903	11.6
313.08484	1.3
317.13766	5.2
323.12790	3.3
337.14221	2.9
341.13962	1.9
355.15570	1.5
375.16272	1.1
401.17847	1.2
408.51920	1.0
433.16354	1.1
435.17853	1.3
447.18185	1.2
475.15210	1.0
479.20383	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	479.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.3
55.01878	5.9
55.05510	4.0
57.03431	2.9
57.92390	2.4
58.79686	2.2
62.79196	2.1
66.26339	2.3
67.05499	3.5
69.03428	15.7
69.07071	5.1
69.42245	16.6
70.06575	3.6
71.04989	3.2
73.02924	3.5
79.05502	3.6
79.19580	2.0
81.03421	11.3
81.07069	8.7
85.02895	26.0
91.05464	5.4
93.07043	13.6
95.04956	3.9
95.08596	6.7
97.02899	9.3
99.04454	4.9
105.07025	9.8
105.85977	2.7
107.04978	3.3
107.08611	17.3
109.02869	6.6
109.06497	4.2
109.10196	3.9
113.05998	3.7
119.08569	3.8
121.02899	4.4
121.06516	6.0
121.10154	10.1
122.03669	2.4
123.04420	16.8
127.03921	11.0
137.02406	14.5
137.05960	8.0
145.10103	7.4
149.09587	4.1
151.03920	6.5
151.07570	5.6
152.10007	2.7
153.01863	10.9
163.11176	17.3
167.10681	9.3
169.08606	20.5
177.05368	3.0
181.04868	3.3
181.12224	4.9
191.10699	8.8
201.05588	3.5
203.69009	2.9
209.11734	8.8
227.12802	23.0
229.04955	5.3
239.10448	2.5
257.04599	3.1
272.06808	4.6
272.09967	3.1
273.07159	6.0
274.04730	3.5
274.07388	4.3
300.06305	8.2
301.06870	15.7
302.04034	13.7
302.07166	14.3
303.04962	26.9
303.07782	11.0
315.08612	14.4
316.08896	15.6
317.06531	100.0
317.09393	24.6
318.06912	7.4
353.16000	5.4
417.95407	2.7
479.13129	4.6
479.19580	4.1
483.96466	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	479.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.9
61.16645	0.8
65.03922	2.0
67.05507	7.6
69.07059	3.5
70.38412	2.0
71.05012	0.9
76.87319	0.9
79.05491	3.7
81.07066	10.7
83.04985	1.3
83.08610	1.2
87.82082	0.7
91.05477	17.0
93.07050	4.8
95.04965	1.8
95.08608	7.3
97.06548	1.3
105.07024	2.9
107.04979	1.1
107.08593	2.9
109.06527	1.6
109.10146	3.2
111.08092	1.1
119.04938	33.5
119.08575	2.0
121.10152	3.3
131.08565	1.3
133.10120	2.5
135.11743	2.1
137.05782	1.2
137.09544	0.9
147.04405	100.0
147.11687	1.3
148.04774	4.0
159.11790	1.3
161.13301	1.0
165.05476	1.0
171.11729	0.8
173.13225	1.3
191.14169	1.1
261.22076	2.2
279.23056	6.4
297.24435	1.4
303.05115	0.9
400.24783	1.0
461.28680	2.6
479.24719	1.3
479.31848	23.8
480.31522	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.5
55.05494	1.3
57.19075	0.5
67.05476	2.0
69.07037	1.4
71.05010	0.5
79.05462	1.8
81.07056	3.2
83.08611	0.6
91.05463	1.8
93.07015	2.2
95.08630	2.8
97.06505	0.6
105.07010	1.4
107.08548	1.6
107.09237	0.5
109.10149	1.4
111.08023	0.6
115.68148	0.5
119.08521	1.7
121.06458	1.0
121.10102	1.4
123.08128	0.6
131.08553	1.5
133.10107	1.2
135.07961	0.6
135.11681	1.0
145.09053	0.6
145.10100	1.2
147.08009	0.6
147.11649	1.0
157.10114	0.9
159.11665	0.8
189.16383	0.9
461.31601	2.0
479.29636	100.0
480.29840	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	479.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01599	0.7
51.02381	0.8
53.03942	4.2
53.13597	0.6
55.01873	5.9
55.05509	26.8
56.05844	0.5
57.03436	14.8
57.07074	3.2
59.05000	1.2
65.03941	4.2
67.05503	77.2
68.05843	1.4
69.03419	3.8
69.07065	24.5
69.15335	1.6
69.15761	2.8
70.07398	0.6
71.01338	1.2
71.04988	8.5
71.08625	1.0
73.02935	1.2
77.03929	1.5
79.05489	61.1
80.05840	1.5
81.02893	0.6
81.03416	55.3
81.07053	100.0
82.03776	0.9
82.07396	2.1
82.17022	0.5
83.04622	0.4
83.04980	15.5
83.08615	32.2
83.81605	0.5
85.02901	29.3
85.06529	3.9
86.03214	0.5
87.04460	0.7
91.05477	52.8
92.05807	1.0
92.11485	0.5
93.07041	66.3
94.07371	1.4
95.04966	31.0
95.08603	33.3
96.08964	0.8
97.02863	2.6
97.06529	11.7
97.10162	5.2
98.99122	0.5
99.04476	1.0
99.08081	3.8
103.05463	1.5
105.04526	2.1
105.07024	29.4
106.07381	1.0
107.04944	7.4
107.08590	36.6
108.08931	1.3
109.06518	8.2
109.10158	10.0
111.04464	1.8
111.08067	15.8
111.11755	0.8
113.06028	2.5
113.09644	0.8
115.05454	2.1
116.06272	0.9
117.07005	11.3
119.04966	1.3
119.08581	24.4
119.09425	1.2
120.08901	1.0
121.06515	4.2
121.10139	26.1
122.10505	0.9
123.08051	3.2
123.11714	4.6
125.05980	0.9
125.09643	2.8
127.07582	1.0
129.07005	11.9
131.08565	19.6
132.08910	0.7
133.06522	3.8
133.10120	17.0
135.08081	2.7
135.11687	10.1
137.02322	0.6
137.06027	2.5
137.09637	2.6
137.13260	2.3
139.11209	2.2
141.06999	0.6
142.07820	2.7
143.08585	1.6
145.08673	0.5
145.10129	3.7
147.04440	0.9
147.08049	4.2
147.11684	14.8
149.09613	6.6
149.13245	27.1
150.13570	1.1
151.03917	4.2
151.07574	2.4
151.11227	1.1
151.14780	0.6
153.09163	1.3
154.00281	0.6
155.08548	1.0
157.10118	14.1
159.11691	11.0
161.13309	1.0
163.11235	2.1
163.14833	1.3
164.11485	0.6
165.12706	3.7
167.07144	0.6
167.14432	0.9
169.10117	0.9
171.11819	1.4
173.13335	1.8
175.07579	2.0
175.11183	14.3
175.12617	1.0
175.14859	0.7
177.09071	0.8
177.12747	5.4
181.10258	0.8
183.11697	1.1
185.13316	0.8
187.14806	0.8
189.09204	0.5
189.11244	1.2
189.12781	1.1
189.16435	1.0
191.14343	0.8
191.17926	4.1
193.12241	51.6
194.12625	1.7
195.12016	1.0
195.13776	8.7
197.13235	0.9
201.12704	0.8
203.05321	1.4
203.07076	0.8
203.18036	1.1
205.12392	0.7
211.13283	55.3
212.13704	2.2
213.12965	0.6
213.77812	0.7
213.96718	0.6
215.14471	1.0
217.15620	0.7
217.19524	0.6
219.13956	0.9
231.06532	0.9
249.14932	1.1
267.15945	5.3
269.17380	3.8
273.18808	0.7
285.17032	1.0
303.05042	3.7
343.22620	1.1
351.23267	0.7
353.28354	6.7
369.24243	2.0
371.29483	0.8
381.27896	6.9
387.25494	1.8
399.28961	6.4
417.30246	1.2
445.29395	4.8
461.28998	5.4
479.30182	56.9
480.30408	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	479.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
55.01880	1.2
55.05517	2.2
57.03450	0.6
57.07075	0.9
67.05507	4.4
69.03443	2.0
69.07056	2.6
69.86744	0.5
71.05004	1.6
79.05487	2.5
81.07062	5.3
82.62194	0.5
83.04988	1.3
83.08649	1.4
85.02912	0.6
91.05499	2.4
93.07030	2.8
95.04982	1.8
95.08620	5.1
97.06550	1.4
97.10184	0.6
98.23316	1.3
105.07042	2.8
107.04993	1.1
107.08625	2.0
109.02903	0.7
109.06539	1.9
109.10197	1.5
113.06083	0.8
113.09679	0.8
117.07056	0.7
119.08631	1.8
121.06516	1.2
121.10172	1.8
123.04488	0.9
123.08121	2.0
123.11745	0.9
125.06049	0.8
127.03894	2.5
128.06288	0.6
131.08641	0.6
133.06514	0.9
133.10199	1.5
135.08098	1.3
135.11755	1.1
137.06053	1.0
137.09615	1.3
139.07663	0.8
139.11192	1.0
141.05457	0.5
141.09117	2.9
147.08047	0.6
148.88472	0.5
149.06024	1.6
149.09686	0.9
149.13324	0.8
151.07571	3.8
153.05447	0.6
153.09125	1.0
161.05968	0.7
161.13370	0.6
163.07567	0.7
165.09189	0.6
167.07088	0.6
169.08675	1.1
173.06270	0.7
175.07561	0.6
177.09125	0.6
179.07133	1.5
185.08128	0.8
187.07564	0.7
189.09262	0.9
191.07092	1.4
192.42218	0.5
193.08620	1.0
193.12315	1.9
197.08168	2.5
197.09778	0.7
203.07077	0.6
205.08652	1.6
207.06509	0.6
209.08177	2.3
215.09216	0.6
217.08803	0.7
235.13385	2.4
237.14925	1.2
243.10344	0.6
247.13519	1.0
253.14496	1.6
257.11865	1.7
263.12741	7.9
265.14569	0.7
275.12820	2.9
293.13998	1.8
303.04965	4.3
308.29388	0.7
313.11087	0.5
345.17505	0.6
355.15567	1.1
363.18015	0.7
373.16489	2.3
391.17450	3.1
425.20020	1.2
433.22388	1.0
443.20737	1.7
461.21643	10.3
461.27896	0.8
462.22162	1.2
479.33575	100.0
480.33716	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	479.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.2
56.43617	0.2
67.05495	0.3
69.03449	0.2
69.07051	0.4
69.21446	1.7
76.92615	0.2
78.01116	0.2
79.05482	0.2
81.07059	0.7
82.27053	0.2
93.07036	0.4
95.08640	0.4
105.07030	0.4
106.03378	0.2
107.08604	0.4
115.84120	0.2
121.10136	0.4
137.09573	0.2
173.13345	0.2
303.04980	0.7
440.79684	0.2
479.34955	100.0
480.35281	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	480.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.6
57.03432	1.6
61.02921	0.8
62.68414	0.8
68.04669	0.7
69.03427	3.1
69.26620	3.8
69.27031	1.5
71.05000	4.4
77.38495	0.6
79.05505	0.7
81.03390	1.1
81.07053	1.5
83.04973	0.8
85.02412	0.9
85.02908	13.8
91.05475	3.5
93.07022	1.6
95.04980	1.4
95.08588	2.3
97.02898	3.3
99.04474	0.8
103.05452	0.6
105.07014	1.6
109.02907	1.3
109.06479	1.7
109.10168	1.6
111.04463	1.8
119.04919	3.8
119.08553	0.7
121.02849	1.2
123.04440	7.6
123.11655	0.6
127.03909	1.7
129.05487	1.3
133.06470	0.8
135.02634	1.1
135.04402	1.3
136.06157	0.8
137.05972	2.1
137.09592	3.4
139.03831	1.0
145.04997	1.8
146.03642	1.4
146.81946	0.7
147.04399	6.6
147.06430	1.0
148.05139	1.3
149.05991	1.5
150.01338	2.1
151.02124	3.9
151.03914	1.9
151.07520	2.2
153.01791	1.5
155.10638	4.4
161.05998	1.0
163.02144	0.6
163.03899	2.2
164.04694	2.5
165.00108	4.5
165.03729	6.8
165.05106	1.2
165.70790	0.6
167.06996	0.7
169.12303	0.9
171.01144	0.9
175.07556	1.0
177.05475	1.2
178.06261	1.8
179.01636	11.2
179.07025	7.6
179.10605	1.1
180.07796	7.4
180.37314	0.6
181.03123	4.1
181.92896	0.7
193.03183	8.5
195.04701	0.9
197.02678	38.9
197.08063	13.9
198.03084	1.2
198.08504	0.6
205.03210	0.7
211.04259	9.9
212.05017	100.0
213.05600	5.8
227.07263	1.1
237.05815	3.8
255.06857	1.5
301.07388	89.6
302.07654	4.3
318.06827	0.8
318.19299	1.3
319.04532	1.0
480.25311	0.8
481.16473	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02895	0.5
61.54620	0.6
67.05494	0.8
67.57953	0.6
69.03423	1.1
70.65008	1.7
71.04980	0.9
73.52837	0.6
75.44226	0.6
81.03410	1.3
81.07044	1.7
85.02913	3.2
90.61277	0.6
91.05460	1.1
91.40260	0.6
93.07052	1.7
95.08599	1.2
97.02876	1.3
105.07051	1.0
107.04930	0.9
108.23251	0.6
109.10172	0.6
119.04905	1.5
119.08533	0.6
121.10104	0.6
123.04417	0.9
127.03896	0.7
133.06497	0.6
135.11697	1.0
137.02335	0.9
137.05977	1.1
139.11131	0.8
141.89201	0.6
142.22044	0.6
147.04381	0.8
149.05971	1.5
151.03958	1.0
153.01808	1.3
161.05891	0.7
163.03867	1.5
163.11128	1.1
165.07010	1.4
167.03348	0.9
167.07108	0.9
167.08530	1.9
175.07620	0.7
177.06924	1.4
181.19183	0.6
183.08031	1.3
194.07185	0.7
195.08055	2.2
197.06094	1.0
211.07564	2.4
222.06888	1.0
223.07471	3.6
227.12668	0.9
239.07062	6.7
240.07872	4.5
243.10130	6.6
250.06120	0.7
251.06995	3.6
268.07312	19.0
271.09650	10.3
272.06314	0.7
273.03845	1.0
283.09631	100.0
284.10071	5.2
301.10675	18.8
301.13275	0.5
302.11020	0.8
303.04965	1.1
304.05371	1.4
317.06470	4.9
318.06882	11.7
319.04459	10.5
319.07806	1.2
365.90683	0.6
445.14847	5.8
480.18317	0.9
481.09802	1.2
481.16400	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64067	0.8
53.03942	2.4
54.18176	0.8
55.05498	1.6
57.03438	11.4
61.02922	1.9
67.05483	1.1
69.03427	8.6
70.06606	1.6
71.01337	1.1
71.04991	79.0
71.30786	2.0
72.05347	1.1
73.02911	2.8
75.04472	4.1
79.05471	1.4
81.03434	2.9
83.04986	7.9
85.02903	100.0
86.03230	1.8
87.04468	2.3
91.05474	2.2
93.07072	1.3
95.04956	4.1
97.02881	7.4
99.04442	1.6
109.02890	2.2
111.04454	4.6
116.07071	2.3
121.02843	2.6
121.06495	9.4
123.04436	13.7
124.05199	2.2
127.03922	4.1
129.05476	41.0
130.05838	1.1
139.03894	2.4
139.07576	1.2
140.04703	2.7
145.04918	3.2
146.08078	1.6
147.06511	17.7
151.03915	1.8
151.07503	4.6
153.01822	3.8
153.05649	1.0
155.07016	33.3
159.05559	0.9
161.05856	0.9
162.13377	0.9
164.04678	1.2
164.09207	4.5
165.05397	1.0
167.07024	16.0
179.07031	8.9
181.05035	1.2
182.05795	1.8
184.93015	1.0
191.07054	2.2
195.01125	1.2
197.08205	1.0
202.97687	1.1
210.03989	1.7
221.08128	8.0
247.09688	4.5
263.09354	1.2
265.10690	2.2
281.10159	2.8
283.11740	1.9
301.12161	1.3
317.11371	2.2
318.06827	1.7
318.11636	2.9
319.12668	1.1
458.24084	1.1
480.14917	2.1
506.05777	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.5
53.37369	0.5
55.01867	2.3
57.03181	0.6
57.03437	6.0
61.02923	8.4
61.46425	0.5
69.03425	17.6
69.34442	3.8
71.01351	0.6
71.04979	1.5
72.88393	0.5
73.02924	3.4
81.03411	8.3
85.02898	100.0
86.03230	1.3
87.04475	1.3
91.03949	4.7
91.05486	2.5
93.07040	2.3
95.04956	0.7
97.02888	22.8
99.04446	4.2
103.03944	1.5
103.05469	1.8
109.02867	10.3
114.92308	0.5
115.03917	1.3
117.06967	1.0
121.02917	1.3
121.06499	57.5
122.06841	1.5
127.03909	22.3
129.06921	0.6
131.08562	2.0
141.06963	1.8
145.04948	37.3
145.06442	1.7
146.05298	0.7
151.07512	0.9
157.06479	1.4
159.08073	3.9
163.06021	17.0
163.07460	1.2
169.06360	0.7
169.56850	0.5
171.08102	0.9
175.07547	2.1
179.07048	2.4
180.08614	0.8
183.08012	1.1
185.05905	1.7
187.07530	18.7
189.09100	0.7
199.07469	0.9
201.09105	0.9
205.08583	14.6
211.07643	0.7
217.08653	1.5
229.08595	7.2
232.56805	0.6
235.09674	1.7
245.52904	0.6
247.09621	8.3
265.10706	5.5
266.11093	0.5
283.08276	0.5
325.11081	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
55.01869	14.6
55.05495	1.6
57.03437	24.4
59.05009	3.5
61.02929	20.0
67.05505	12.2
69.03428	43.9
69.23936	5.7
69.24366	6.4
71.01351	5.7
71.05002	2.3
72.04478	2.0
72.32722	1.4
73.02914	100.0
79.05503	5.6
81.03416	7.4
81.07058	29.0
85.02904	97.5
86.03252	1.8
87.04487	5.1
91.03954	3.9
91.05505	4.2
92.05808	1.6
93.07021	6.8
95.05017	1.6
95.08629	3.1
96.04524	1.7
97.02887	68.5
99.04462	5.1
103.03941	5.5
105.07049	2.7
107.04963	5.4
107.08594	2.4
109.02872	8.4
115.03930	47.2
119.08543	1.9
121.06559	2.1
121.10152	4.3
122.03634	2.7
123.04455	2.9
123.11704	62.6
127.03914	32.5
132.06548	2.0
133.02844	2.3
133.04962	54.0
134.92006	1.6
135.08142	1.8
137.05959	19.6
138.06334	4.5
139.03906	3.5
144.06561	4.7
145.04955	46.9
150.07632	5.5
151.03963	1.5
151.07521	8.6
151.11205	7.4
152.07881	3.2
153.01920	2.0
153.05400	1.8
161.06018	4.1
162.06395	2.6
162.07611	3.3
163.06032	13.6
163.07463	3.4
167.07053	2.4
169.12234	9.6
171.06561	1.8
180.08720	5.4
183.06483	8.4
189.09094	2.0
193.04872	1.7
195.10144	4.1
196.10474	2.2
223.06020	8.6
241.07062	12.1
252.02390	1.4
259.08057	12.0
265.14301	2.7
266.08926	2.4
276.10840	2.1
277.09241	3.1
283.15405	13.5
285.10785	1.5
294.11896	3.5
295.10233	4.2
312.13019	3.1
313.16425	13.9
481.20480	3.3
487.37671	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44826	2.4
55.05526	2.7
57.03438	33.3
59.04998	6.2
60.99594	2.2
61.02920	4.9
61.14380	2.1
67.05491	7.8
69.03429	81.6
69.14088	24.4
70.54842	2.2
73.02918	13.3
79.05468	3.7
81.03404	3.3
81.07053	25.5
85.02902	64.0
87.04470	53.4
93.07108	2.8
97.02892	95.1
100.11260	5.6
100.21070	2.4
107.04948	2.4
109.02846	2.9
111.04369	2.4
115.03931	92.8
116.04244	2.8
121.10194	2.6
123.04426	4.1
123.10861	4.0
123.11707	49.1
126.05499	2.7
127.03935	13.2
130.15080	2.7
133.04959	100.0
137.05966	9.9
139.03841	3.2
144.06563	4.2
145.04944	14.1
150.07646	9.6
151.03894	12.0
151.07463	2.6
151.11159	3.6
153.01830	2.7
160.57042	2.6
163.06067	2.8
167.07100	3.6
167.10597	2.5
169.04968	3.0
169.12238	8.3
180.08655	2.5
241.06870	2.9
255.21010	2.7
259.07977	6.4
275.05069	5.6
283.15442	7.4
295.10034	3.9
295.20200	3.0
302.04166	6.9
302.94946	2.6
303.04358	12.2
313.16492	15.4
317.06598	16.4
318.06903	37.4
415.55145	2.6
455.81543	2.5
481.19342	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	12.1
55.05513	8.8
57.03427	33.2
59.04981	11.2
59.95333	7.4
61.02931	10.1
67.05517	9.1
69.02849	16.9
69.03268	57.2
69.03500	40.3
69.07059	66.8
71.01366	8.9
71.04949	8.3
73.02911	45.6
77.83153	6.3
81.07042	32.2
83.04936	8.2
85.02901	64.6
90.44012	7.2
91.05479	9.5
93.07059	17.7
95.08611	12.8
97.02866	53.8
105.07012	8.3
107.04977	12.8
115.03930	34.1
118.97816	7.7
121.02867	14.3
123.11698	100.0
127.03874	15.4
133.04965	29.7
133.10086	12.2
135.04366	14.4
137.05966	22.9
145.04948	26.2
151.03906	12.1
151.07504	13.5
151.11205	63.8
153.01811	16.1
154.76730	7.5
163.07489	8.0
165.09111	15.0
173.82643	7.6
283.15356	14.8
313.16336	8.5
344.13977	9.2
480.16922	8.4
481.20273	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	480.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.4
55.01858	0.4
55.05500	0.7
57.27601	0.2
65.03938	0.2
67.05506	1.9
67.61806	0.2
68.05831	0.4
68.32315	0.2
69.07066	0.7
69.48653	1.3
71.04964	0.3
73.73529	0.2
78.04713	1.6
79.05489	2.3
81.03412	0.2
81.07054	2.6
82.07359	0.2
83.01378	0.2
83.04975	0.5
83.08604	0.7
85.02898	0.4
85.06583	0.2
88.46371	0.2
91.05469	1.4
93.07046	1.5
94.07342	0.5
95.04942	0.7
95.08586	1.1
96.08954	0.3
97.06525	0.4
97.10146	0.3
103.05450	0.4
105.07036	1.7
106.04166	0.8
106.07346	0.2
107.04955	1.2
107.08595	1.0
108.08887	0.2
109.06535	0.4
109.10169	0.5
111.08075	0.4
115.05467	0.3
117.07004	0.5
119.04990	0.3
119.08607	1.0
120.08881	0.2
121.06488	0.6
121.10133	0.7
121.24909	0.2
123.04434	4.0
123.08051	0.4
123.11671	0.3
124.05225	1.6
125.09559	0.3
129.07028	0.3
131.08554	0.6
133.06468	1.3
133.10170	0.5
134.03590	0.3
135.04315	0.3
135.11647	0.5
137.05916	1.0
137.09573	0.3
139.07507	0.2
143.08556	0.4
145.10107	0.5
147.11674	0.4
149.05971	0.6
151.03880	0.9
151.07574	0.5
152.04706	1.0
157.10152	0.3
159.11674	0.3
161.06013	0.7
161.13185	0.2
163.07533	0.3
165.09067	0.5
167.07033	100.0
168.07378	3.4
171.11600	0.2
179.07034	0.5
181.08585	0.5
185.13177	0.2
193.08594	3.5
193.12273	0.3
211.09654	5.4
301.72986	0.2
304.05313	0.3
417.27158	0.2
460.96240	0.2
463.82169	0.2
480.30078	0.9
480.37943	0.4
481.30215	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3082
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
51.85866	0.3
52.96518	0.3
53.03938	0.6
54.84005	0.4
55.05510	15.6
55.05779	0.8
56.05847	0.5
57.03177	0.6
57.03438	7.0
57.06815	0.4
57.07076	6.4
57.11176	0.4
58.06604	1.8
59.07380	0.6
63.40928	0.3
67.05157	0.7
67.05503	11.3
68.19781	0.3
69.07067	18.7
70.42163	0.3
71.04984	0.8
71.08638	3.3
72.33079	0.3
79.05489	5.4
81.07055	13.4
82.07374	0.5
83.04955	0.6
83.08618	12.6
85.06536	0.6
85.10180	1.3
87.59733	0.3
91.05482	1.2
93.07041	6.4
95.04953	0.5
95.08604	11.8
96.08916	0.4
97.06546	2.2
97.09583	0.6
97.10166	6.8
98.98453	0.5
102.40861	0.3
107.08582	4.6
109.10155	5.2
111.08087	1.2
111.11709	2.0
113.38884	0.4
119.08555	0.7
121.10130	5.8
123.11710	2.0
124.44713	0.3
125.09599	0.8
131.08543	0.6
133.10117	0.7
135.11678	4.1
137.13240	0.7
138.92375	0.4
139.11160	0.9
144.10211	3.5
145.10152	0.7
147.11752	0.5
149.13220	1.9
153.12704	0.5
163.14825	1.2
171.11649	0.4
189.16377	0.8
198.05124	0.4
217.12282	1.6
241.43599	0.4
247.24214	0.9
265.25299	1.5
274.42178	0.3
308.29468	3.1
339.28918	100.0
340.29294	7.8
434.54651	0.4
435.28561	0.4
480.30267	3.1
480.36615	4.1
481.32846	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27762	1.2
53.76781	1.0
55.05516	14.6
56.05873	1.0
57.03443	4.3
57.07075	5.0
62.06088	30.0
67.05499	11.8
69.07069	18.8
69.17764	5.2
69.18183	2.9
71.08628	3.0
77.98212	0.9
79.05478	5.8
81.07052	14.6
82.47727	0.9
83.08614	12.5
85.10184	1.5
91.05508	1.8
93.07047	6.0
94.44407	0.9
95.08614	12.6
97.10176	7.0
98.10477	1.0
98.22556	2.0
98.98483	8.3
107.08611	5.2
109.10155	6.4
111.08086	1.3
111.11752	2.1
119.08584	1.4
121.10138	6.7
123.11707	3.2
124.01612	2.0
135.11668	3.2
142.02657	1.3
144.10248	1.4
145.10114	1.2
149.06023	2.2
149.13246	2.1
153.12694	1.6
155.01024	8.2
161.13182	1.2
216.06361	2.8
247.24115	1.7
256.26459	1.1
265.25296	4.7
308.29474	17.4
339.28918	100.0
340.29077	6.2
393.47144	1.1
419.25397	2.8
462.29926	1.2
480.29794	6.4
480.36282	3.4
481.33051	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	481.0978
Annotation	SCHEMBL345349
Peak:m/z	Relative Intensity
53.03930	0.7
55.01866	1.7
59.04996	0.8
61.02924	6.8
63.85946	0.5
67.05491	1.3
68.99783	1.3
69.03448	2.7
70.06590	0.6
70.26002	0.5
71.04996	1.0
71.32206	0.8
73.02902	1.8
79.05500	1.0
81.03407	2.0
81.07076	0.8
83.04992	0.8
85.02898	8.5
85.06525	0.7
86.03231	1.0
90.54292	0.6
91.03959	3.4
91.05465	1.4
93.03465	0.6
93.07034	1.1
95.04967	0.8
97.02901	4.7
99.04456	1.0
103.05460	0.8
105.07037	1.1
107.04972	0.8
107.08575	0.7
109.02872	1.6
111.04453	1.0
113.06006	0.6
115.05438	0.8
119.08554	0.9
121.02869	2.5
121.06504	1.9
122.06841	0.7
123.04407	3.8
123.08099	0.8
125.02378	0.9
127.03915	2.0
131.04950	0.6
135.04405	1.1
135.08047	0.6
136.07536	0.9
137.02335	5.7
137.06010	0.9
139.03860	1.1
145.04930	1.5
147.04398	1.2
149.02347	0.7
149.05966	1.3
151.03914	2.2
153.01863	3.4
153.05426	0.7
158.68547	0.6
161.05992	1.5
163.03926	1.4
164.07095	0.7
167.03387	1.6
167.07059	2.0
169.01309	7.9
171.04398	1.0
175.03870	0.8
175.07542	0.8
177.05490	1.9
181.01312	1.5
181.08691	0.6
189.05362	0.8
199.03894	1.8
217.04994	1.5
219.37639	0.6
230.19354	0.6
245.04454	3.1
245.08133	0.6
251.07135	0.6
255.02966	0.7
259.05969	0.9
263.05597	1.2
265.11884	0.7
273.03906	2.5
273.07288	0.8
285.13239	0.6
289.11621	0.7
290.04144	0.8
301.03452	1.6
301.07053	0.8
301.11115	1.6
305.06525	0.9
310.84601	0.6
318.11066	1.8
319.04471	100.0
320.04813	6.4
320.54196	0.6
332.12640	1.6
463.17328	1.2
481.16977	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	481.1335
Annotation	Padmatin 5-glucoside
Peak:m/z	Relative Intensity
51.02361	0.2
53.00276	0.1
53.03933	0.4
55.53042	0.1
65.03922	0.1
65.14274	0.1
66.04718	0.3
67.01849	0.1
67.05495	0.2
68.99792	0.1
69.03406	0.3
70.37012	0.1
70.37337	0.3
71.04986	0.1
78.04703	5.3
79.01814	0.1
79.05491	0.9
81.03427	0.7
81.07020	0.2
85.02886	1.1
91.05466	0.2
93.03397	0.2
94.04200	0.1
95.04971	0.7
96.05734	0.4
97.02878	0.2
98.22617	0.1
99.04410	0.2
99.74792	0.1
103.69879	0.1
105.03368	0.4
106.03500	0.2
106.04158	2.6
106.04766	0.1
107.04929	0.4
109.02865	0.8
110.03661	0.3
111.04499	0.1
120.02097	0.1
121.02858	0.2
121.06497	0.2
122.03645	0.4
123.04415	11.5
124.05215	3.5
127.03899	0.5
134.03596	0.5
135.04401	0.3
137.02338	0.1
137.05957	1.0
138.03117	0.4
138.86340	0.1
139.03870	0.6
143.03369	0.1
151.03876	2.7
152.04665	3.1
153.01814	1.4
153.05444	5.0
165.01784	0.1
167.07013	100.0
168.04190	0.3
168.07361	3.1
176.57626	0.1
179.06885	0.2
183.02843	0.5
183.53087	0.1
203.44858	0.1
204.31096	0.2
246.60033	0.2
256.24118	0.1
287.05530	0.3
288.05930	0.1
319.04364	1.0
319.08060	1.5
383.14673	0.2
481.12662	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.4
57.03432	0.4
65.03939	0.7
66.04716	0.8
70.52633	0.6
70.52983	0.5
73.02938	0.4
79.05486	2.6
81.07051	0.8
83.05013	0.3
86.64561	0.3
86.67792	0.3
91.05476	2.1
94.04175	4.7
95.04951	0.7
97.02865	0.7
103.05435	1.2
105.07025	0.5
107.04938	3.2
109.06502	0.5
113.03474	0.8
115.05415	0.5
119.04923	0.9
121.02856	0.8
121.06506	1.1
122.03654	9.7
123.04413	0.8
123.07983	0.4
125.05977	0.4
128.06233	0.4
129.06964	0.5
131.04883	0.6
131.08556	1.0
133.06493	0.4
134.03690	0.3
135.04425	2.2
135.05356	0.5
137.05969	100.0
138.06314	2.7
139.03877	0.4
141.07019	0.8
144.05656	0.7
147.04387	1.7
149.05975	2.5
150.06805	0.9
151.03899	1.0
151.07527	1.5
153.01817	1.5
153.05449	0.9
153.06831	0.7
155.08542	0.4
157.06474	1.1
158.07225	0.6
159.04379	0.4
159.08066	1.7
161.05954	3.5
162.06747	0.5
163.07506	2.3
165.06982	3.1
166.07782	1.3
167.03416	0.9
167.07048	6.8
167.08447	0.7
168.05753	0.7
169.01376	0.6
169.06427	0.6
171.17859	0.4
173.05872	0.5
175.07547	0.9
177.05479	2.9
177.06952	0.8
178.07791	0.6
179.07031	1.0
179.08540	0.8
181.04977	1.4
181.06465	1.0
182.07300	1.0
183.08087	1.0
185.06036	0.5
186.06818	0.7
187.07541	1.0
189.07042	0.6
191.06920	0.7
191.08531	0.5
193.06462	1.9
194.07274	4.8
195.07982	1.0
196.08900	0.4
197.05840	0.6
199.07602	0.5
200.08345	0.7
201.09160	0.7
202.07864	0.6
205.06479	2.1
205.08328	0.5
207.04466	0.7
207.08130	0.6
208.05202	1.4
208.08711	0.4
209.05853	0.5
209.09647	0.7
210.06781	1.1
211.07526	2.0
217.06595	0.4
217.08565	0.5
218.07272	0.4
219.08055	1.2
220.08798	0.8
221.05936	3.4
221.09447	0.4
222.06747	3.0
223.07549	0.8
224.08400	0.7
225.05490	0.4
225.09094	1.5
227.07037	0.7
229.08539	1.6
230.07103	0.4
231.07942	1.1
231.10074	0.4
233.05974	1.2
233.09636	0.6
234.06752	0.5
234.10283	0.5
235.07452	0.9
235.11214	0.4
236.08289	0.8
237.09090	3.2
238.06215	0.6
239.06894	1.9
240.04152	0.5
243.10133	0.5
247.07474	1.8
247.09752	1.4
248.08286	2.0
249.09094	1.2
250.06236	0.9
250.79930	0.4
251.06961	0.9
252.07832	0.7
253.08560	2.5
254.05751	0.7
254.09361	0.9
259.07568	0.8
261.09146	0.8
262.09988	0.5
263.10687	1.5
264.07919	0.8
265.08572	11.1
266.09137	0.8
267.06808	0.6
267.10159	2.0
269.08099	1.6
270.08896	0.4
271.09705	2.2
275.07019	1.1
276.07697	1.2
277.08450	2.1
279.10129	0.8
282.08829	1.9
283.09637	1.4
285.11234	5.8
286.11563	0.6
290.09341	0.8
291.06979	0.7
291.10013	2.9
292.07343	0.8
293.08118	1.9
296.82251	0.5
297.07828	0.8
297.11185	12.3
297.14420	0.7
298.11548	0.7
303.12335	0.9
305.11685	0.6
307.09671	1.4
308.10434	1.4
309.11151	2.2
315.08603	4.7
315.12265	12.3
316.12607	1.1
319.04486	7.8
319.09491	1.6
320.04675	0.7
321.07678	0.7
321.11102	0.7
322.08414	0.5
323.12781	1.5
325.10773	0.5
327.12405	0.7
330.10962	6.1
331.11679	1.1
336.09836	1.2
337.10800	0.7
339.12280	0.6
343.11780	0.5
351.12222	3.3
353.09970	1.7
368.12576	1.9
383.14883	15.8
384.15179	1.4
401.16150	0.6
463.16980	0.5
481.11713	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.7
53.03945	3.1
53.77621	0.5
55.01866	2.1
55.05515	3.2
57.03425	2.6
61.02922	0.6
65.03948	2.9
67.05510	6.9
68.99763	1.2
69.03428	9.3
69.07054	1.6
69.68321	1.7
69.68732	1.3
71.01343	0.7
71.04976	0.8
75.04486	2.9
77.03908	0.7
79.05491	14.7
81.03033	0.6
81.03434	6.2
81.07059	6.3
81.07780	0.6
83.03449	0.5
83.04977	3.0
85.02904	5.6
91.04942	1.0
91.05480	13.9
93.03408	1.1
93.07045	54.3
94.07376	0.8
95.04971	10.0
95.08621	3.5
97.02900	5.7
97.06537	1.3
97.10167	1.9
99.04453	1.5
100.28510	0.5
103.03958	1.3
103.05424	1.4
105.04521	0.6
105.06349	0.8
105.07026	10.9
107.04958	3.3
107.08602	8.5
109.02908	3.9
109.06523	1.5
109.10167	3.8
111.04440	9.3
111.08076	3.2
115.05459	0.7
116.06186	0.8
117.07001	1.7
119.04951	0.8
119.06029	0.5
119.08587	13.5
121.04025	0.7
121.06487	3.5
121.10144	64.1
122.03648	2.9
122.10499	1.6
123.04430	33.2
123.08067	2.4
123.11696	1.4
125.05990	1.6
125.09665	0.8
127.03947	2.9
129.05405	0.8
129.07019	1.4
131.04900	0.9
131.08577	4.9
133.07587	1.1
133.10117	1.4
135.04391	1.7
135.08031	1.7
135.11665	0.7
137.05984	2.8
137.09616	0.9
139.03896	16.2
139.11150	1.3
140.04689	7.5
141.05513	0.6
143.08572	0.8
145.04987	1.0
145.06447	1.0
145.10130	2.6
147.04413	2.0
147.08035	1.6
149.09616	20.8
150.03091	0.7
150.09949	0.6
151.03862	0.9
153.05405	0.7
156.04170	1.3
159.08051	0.9
159.11667	1.4
161.05931	1.3
161.09552	1.3
163.03883	2.3
164.04678	0.7
165.05505	1.0
165.09146	0.8
167.10680	6.4
168.04176	5.7
169.04906	0.8
171.06531	15.4
171.07887	0.6
173.09691	0.7
177.09250	0.5
183.06526	100.0
184.06891	2.3
187.11121	0.7
189.05466	1.1
191.07059	0.9
191.10481	0.6
192.04179	0.9
195.06566	1.9
197.04431	1.1
197.08057	1.1
207.06520	12.5
209.08069	0.9
213.07565	0.9
221.08025	3.4
223.05974	0.9
223.09653	1.5
225.07413	1.0
231.10158	1.2
233.08064	1.5
237.07603	1.7
249.07619	2.8
251.12866	0.7
261.07596	4.4
261.11517	0.6
263.09082	0.6
263.12762	1.6
269.11734	0.8
279.08698	1.3
285.11313	1.0
287.12836	1.0
291.08603	1.9
291.15860	1.8
293.13815	3.8
301.14401	1.0
311.14886	1.3
319.15402	3.9
427.17538	0.7
463.26517	0.8
481.27457	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.6
55.01859	0.7
58.27022	0.4
65.03930	0.4
66.04686	0.5
67.05508	0.6
69.03445	0.7
70.27821	1.6
79.05496	1.5
81.07055	1.0
85.02905	0.7
91.05473	1.5
93.07043	0.5
94.04180	1.6
95.04984	0.6
97.02913	0.7
103.05484	1.5
105.07018	1.2
107.04928	2.5
107.13097	0.4
109.02879	0.8
117.06988	0.6
119.04939	1.3
121.02874	2.3
121.06508	1.2
122.03715	3.8
122.05979	0.5
123.04440	1.5
127.03905	1.1
131.04915	1.1
135.08051	1.1
137.05971	44.1
138.06332	1.3
139.03937	0.7
147.04410	1.5
149.06004	1.4
150.06784	0.4
151.03951	1.2
151.07510	2.4
153.01830	2.6
153.05455	0.9
161.05974	4.8
161.09644	0.7
162.06725	0.6
163.07559	2.0
165.07008	1.1
166.07758	0.5
167.03384	2.0
167.06992	3.0
170.17621	0.5
175.07547	0.7
181.04932	1.2
181.06425	0.7
181.08655	1.8
189.09166	1.6
191.07013	0.7
193.03227	0.9
194.07257	1.7
195.08095	1.0
205.06462	0.8
207.10161	3.0
210.06706	0.8
211.07574	0.5
221.06064	1.3
222.06790	0.9
225.09100	1.2
235.07500	0.6
235.99040	0.5
237.09099	1.5
239.07066	0.7
246.52032	0.4
253.08687	1.0
265.08661	3.7
267.10071	1.0
271.09641	0.7
282.08853	0.7
284.08371	0.9
285.08377	0.7
285.11050	3.0
287.12759	1.1
297.11224	5.0
309.11203	0.8
311.12677	0.6
313.14365	0.9
315.12161	3.6
319.04477	3.4
331.15594	1.0
481.26166	100.0
482.26501	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	481.3289
Annotation	Kermadecin E
Peak:m/z	Relative Intensity
55.05506	2.6
57.03432	0.7
57.07074	1.0
59.58049	0.4
63.25647	0.5
67.05506	3.7
69.07073	3.0
71.08652	0.4
71.33292	0.7
79.05489	2.1
79.67116	0.4
81.07054	3.8
83.04992	0.8
83.08622	1.7
91.05483	1.4
93.07050	2.7
95.04947	0.4
95.08595	3.6
97.06525	0.9
97.10175	0.7
105.07066	1.2
107.08606	2.4
109.10173	1.8
119.08589	2.4
121.10159	1.8
123.11723	0.8
125.09608	0.6
131.08592	1.0
133.10123	1.5
135.11678	1.5
143.08585	1.1
145.10170	0.8
147.11674	1.1
149.13292	0.6
157.10156	0.6
159.11697	0.9
161.13229	0.6
164.27147	0.5
171.11717	0.7
183.11659	0.6
185.13242	0.8
187.14864	1.1
199.11188	1.3
199.14891	0.7
201.12849	0.6
215.14342	0.5
217.12376	0.7
217.19485	0.5
219.05026	0.5
325.79050	0.5
339.28976	0.9
340.29196	5.8
421.31000	0.9
481.32910	100.0
482.33319	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	481.3499
Annotation	SCHEMBL10014310
Peak:m/z	Relative Intensity
51.12472	0.5
55.05499	1.3
57.07070	3.6
67.05488	1.4
69.07059	1.8
69.21747	3.9
71.08625	1.7
72.86402	0.5
73.06586	0.6
79.05492	1.3
81.07041	2.4
83.08610	0.8
85.10161	0.8
87.46822	0.5
89.06030	3.8
91.05463	0.9
93.07048	1.2
94.59531	0.4
95.08611	2.2
105.07050	0.9
107.08598	1.5
109.10140	1.6
117.07067	0.7
119.08581	1.9
119.40917	0.4
121.10112	2.4
123.11675	0.7
133.08609	2.2
133.10112	0.8
135.11668	1.2
145.10123	0.6
149.09644	0.8
157.10130	0.7
159.11670	0.5
177.11194	1.0
189.05150	0.6
230.14754	0.5
283.17581	1.3
421.30930	0.6
481.35004	100.0
482.35312	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	481.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80779	0.8
55.05499	1.1
57.07074	1.2
57.35890	0.7
57.79953	0.7
59.22622	0.8
62.37038	0.9
67.05495	3.3
69.07059	1.6
81.07046	3.5
89.06023	8.9
91.05463	1.9
93.07043	1.3
95.08605	2.6
103.08973	0.8
105.07031	1.2
109.10159	1.7
119.08607	1.1
121.10144	2.0
133.08615	3.4
135.11679	1.1
177.11186	1.7
218.81726	0.7
283.17548	4.3
397.31158	1.2
421.31183	1.0
458.89676	0.8
481.36545	100.0
482.36896	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	481.3651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80697	0.5
55.05495	1.3
57.07059	0.7
67.05505	1.6
69.07062	1.2
69.36198	1.8
69.36623	2.2
75.87218	0.5
81.07050	2.4
89.06033	2.6
93.07026	1.2
95.08608	1.4
96.34070	0.5
99.08026	0.7
107.08622	1.2
109.10153	0.6
119.08575	0.7
121.10187	1.1
130.21080	0.5
133.08607	0.9
133.10161	0.7
135.11784	0.8
147.11668	0.7
177.11258	0.8
222.76443	0.5
283.17538	1.2
401.01428	0.8
459.92880	0.7
481.36554	100.0
482.36667	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	481.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17475	0.2
57.07070	0.3
58.16203	0.2
59.11666	0.2
61.21324	0.2
62.45505	0.2
67.05499	0.7
69.07069	0.4
71.31483	0.3
71.31841	0.2
72.28471	0.2
79.05515	0.4
81.07060	0.7
89.06046	0.2
89.10370	0.2
93.07039	0.3
95.08624	0.8
105.07046	0.3
107.08599	0.3
109.10169	0.3
119.08597	0.4
121.10173	0.4
133.10133	0.4
194.13283	0.2
255.37946	0.3
334.26349	0.2
417.67429	0.3
481.36328	100.0
482.36713	11.0
499.37457	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.8
65.16490	2.0
69.03433	1.9
70.63962	4.5
106.30724	2.3
119.04951	2.9
123.04426	100.0
126.99461	1.8
135.04417	5.1
137.02339	7.4
139.03903	10.8
147.04378	5.1
149.02338	5.3
151.03902	9.6
152.75894	2.0
161.06087	2.1
163.03925	6.9
165.01811	34.1
165.05475	4.2
175.03951	2.2
177.01749	11.4
177.05469	7.1
179.03397	11.1
183.02872	20.3
191.03308	9.5
202.62088	2.0
203.03383	2.0
205.01302	7.6
205.04947	7.0
207.02850	7.0
215.03404	3.1
219.02919	2.8
221.04474	4.1
223.02336	13.8
233.04459	17.2
249.03816	10.6
259.02243	1.8
261.03940	11.4
267.04996	10.2
277.03500	10.1
279.05069	3.9
295.04462	12.3
297.06067	17.4
313.05518	78.4
314.05933	3.9
325.05545	5.0
429.08112	7.2
447.09164	16.2
465.09949	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	482.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73447	1.5
53.03957	2.2
55.01863	3.9
57.03429	3.3
57.40177	1.6
57.45035	1.6
61.02928	8.9
69.03421	17.5
71.05001	2.1
80.95100	2.1
81.03415	15.0
85.02902	100.0
91.03947	6.8
97.02885	25.1
99.04448	4.0
103.03922	3.3
109.02871	73.2
109.03616	3.7
110.03216	1.7
110.76250	1.9
119.80479	1.7
123.04501	2.2
127.03917	23.4
128.44673	1.6
129.89613	1.9
141.05458	59.9
145.04947	46.2
147.04404	3.9
153.01773	3.6
163.05989	9.4
170.16043	1.8
171.02783	2.5
177.05493	4.8
189.05417	3.6
207.06549	5.9
229.03465	2.4
257.58499	1.9
259.02319	2.5
267.08585	3.8
277.03403	10.9
282.51483	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.4
55.01870	3.1
57.03428	2.4
61.02914	2.7
62.18291	0.7
62.82610	0.9
65.03944	1.2
67.05518	1.1
69.03432	6.9
69.89364	2.9
71.04986	0.9
73.02916	1.1
79.05489	3.1
81.03418	1.9
81.07069	1.5
85.02909	13.8
91.05486	2.0
93.03388	1.0
93.07046	2.2
93.17697	0.7
94.04147	1.0
95.04974	1.6
95.08618	1.1
97.02901	6.3
97.06565	0.8
103.05473	8.2
105.07037	9.1
107.04963	2.0
107.08587	2.2
109.02893	1.8
111.30886	0.8
115.03902	0.9
115.05451	11.0
121.06516	2.0
122.03619	1.4
123.04428	3.0
127.03931	2.6
131.04942	6.6
133.06471	5.5
135.04352	1.3
135.11691	2.1
137.05984	20.7
143.04919	4.3
145.04956	2.5
145.06477	1.0
148.05200	1.0
149.05981	7.7
150.06731	0.9
151.03897	9.5
153.05470	1.5
153.12769	5.9
154.55203	0.7
161.05981	43.9
163.07523	3.0
167.07022	0.9
171.13803	2.2
179.07014	2.2
179.08557	4.1
181.06517	1.1
193.10260	0.9
196.08807	1.3
197.09657	2.1
199.07578	1.0
207.08113	4.6
213.09068	1.2
221.09586	1.0
224.08305	3.7
225.09018	4.8
235.07530	10.3
236.08214	2.1
238.06001	0.8
239.10672	7.0
249.09190	1.0
252.07922	2.3
253.08551	4.4
255.06470	0.8
257.11804	2.1
267.10202	11.9
268.10486	1.1
270.08823	1.2
273.11130	6.4
285.11218	100.0
286.11530	4.5
303.12296	27.6
304.12494	1.7
440.54990	0.8
447.16501	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72029	1.1
53.03949	2.6
55.01868	2.2
55.05508	1.7
55.71257	1.1
57.16888	1.3
61.02931	2.2
67.05497	3.3
69.03420	6.1
70.58121	3.1
77.70612	1.4
79.05502	4.5
81.03418	5.2
81.07058	3.0
85.02895	10.5
91.05479	4.4
93.07049	2.7
97.02888	5.2
103.05466	8.6
105.07015	12.7
107.04952	4.5
109.02885	1.4
111.04436	2.1
115.05457	9.4
121.06493	2.8
121.10132	2.5
122.03661	2.9
123.04488	6.5
123.11716	1.3
127.03892	6.5
131.04932	6.5
133.06494	11.4
135.04396	4.3
135.10394	1.3
137.02368	7.2
137.05977	39.0
138.06363	6.2
140.07095	2.1
143.04927	4.5
145.04919	2.8
148.05165	1.8
149.05991	8.5
151.03871	8.9
151.07567	1.6
153.01828	3.2
153.05444	1.7
155.03397	5.0
161.05980	41.9
162.06291	1.4
163.07571	3.8
167.07045	18.0
167.10748	1.4
170.07283	5.9
177.05493	2.5
179.07079	2.4
179.08574	4.3
182.07257	1.5
183.08110	1.6
193.08588	12.1
196.08864	2.1
207.08064	5.2
210.14915	1.9
216.07771	1.5
224.08397	4.0
225.09125	4.4
231.10225	12.8
235.07489	8.9
239.10670	5.0
249.09084	2.1
252.07848	2.7
253.08546	3.8
257.11786	2.2
267.10156	13.4
268.10672	1.4
273.11264	7.1
285.11191	100.0
286.11484	6.0
303.12250	27.0
321.57858	1.3
385.16373	3.5
482.13324	4.3
483.12125	1.8
483.18216	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72572	1.2
55.01873	2.0
55.05516	1.6
57.03450	4.8
58.44539	1.1
61.02937	2.0
67.05505	2.0
69.03416	6.6
69.07058	2.6
71.04998	2.8
71.32307	1.2
71.32681	2.0
73.02917	7.1
74.61596	1.1
79.05505	4.8
81.03424	2.8
81.07084	3.0
83.05001	1.2
85.02902	14.9
85.03410	1.3
86.63130	1.0
87.04489	1.6
90.92075	1.1
91.05496	2.6
93.07027	9.1
95.05001	1.6
95.08596	5.9
97.02882	10.0
97.06555	3.3
103.05463	8.8
105.07037	9.7
107.04967	2.5
107.08587	15.8
109.02881	2.3
109.06527	2.1
109.10188	3.2
111.04439	1.6
115.03946	4.0
115.05449	10.2
115.06116	1.1
119.08600	1.5
121.06534	3.1
123.04469	3.7
127.03945	3.8
131.04903	9.2
133.05003	5.1
133.06447	6.7
133.10152	1.0
135.04427	1.3
135.08145	1.7
135.11676	20.0
137.05988	22.4
138.06274	1.4
138.97797	1.2
139.03944	1.3
143.04971	4.9
145.04970	4.8
148.05205	2.8
149.05972	12.7
151.03899	9.4
151.07722	1.4
153.01775	1.9
153.05560	1.9
153.12740	21.1
159.11819	1.3
161.05975	43.8
162.06383	1.9
163.06145	2.5
163.07568	3.9
164.08363	1.5
166.08694	1.4
171.13783	15.9
179.07162	2.6
179.08578	4.0
195.08174	1.2
197.09744	1.6
207.08205	4.1
224.08371	4.4
225.09207	4.7
235.07475	9.4
239.10675	5.8
242.09537	1.1
252.07890	2.8
253.08601	3.9
257.11694	1.4
267.10172	14.7
273.11295	4.8
285.11197	100.0
286.11493	5.6
295.10214	1.4
303.12234	29.8
303.15414	1.8
304.05328	1.8
304.12683	1.6
305.05756	1.3
306.06052	2.9
360.97620	1.4
483.14197	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	9.9
57.03426	8.7
67.05507	10.9
69.03425	6.8
69.07066	5.1
69.38204	14.6
69.38599	4.5
71.04984	6.3
73.02922	3.9
79.05493	14.7
81.03413	35.0
81.07056	14.1
83.04984	6.6
83.08611	12.5
85.02911	20.7
85.06531	3.4
91.05492	13.0
93.07047	13.9
93.66991	2.7
95.04987	14.5
95.08602	8.7
97.02902	13.6
97.06519	3.1
105.07025	14.2
107.04937	3.2
107.08624	12.8
110.68353	2.6
111.08099	7.1
112.61726	3.1
115.03925	5.4
119.08554	6.3
121.10130	3.6
127.03944	4.0
129.06982	3.8
131.08568	7.1
133.04924	3.0
133.10120	5.8
135.11673	11.6
136.03964	5.4
137.05945	3.3
140.07089	5.0
145.04935	4.5
147.11688	9.2
153.01859	3.4
153.12764	28.8
156.60461	2.8
157.10204	5.5
163.03876	5.8
163.75426	2.8
171.13794	6.3
175.11177	7.6
185.08127	3.2
193.12210	32.8
207.06656	2.7
211.13306	23.5
267.15848	10.0
285.16971	100.0
286.17200	5.0
388.38806	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	482.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.1
55.05503	7.8
57.03433	11.8
57.52246	3.3
59.04990	3.6
67.05501	11.7
69.03423	23.7
69.63264	8.1
69.63647	7.7
71.04980	11.2
79.05492	13.8
81.03414	38.4
81.07053	35.5
83.04975	10.0
83.08603	15.6
85.02894	23.4
85.06503	3.9
87.04459	7.8
91.05478	15.8
93.07038	19.8
95.04973	12.8
95.08613	3.5
97.02908	21.6
98.23318	5.5
105.07033	14.4
107.08593	10.5
109.10164	6.3
111.08110	7.6
115.03233	3.5
115.03922	20.2
119.08572	5.2
129.07037	4.7
131.08563	7.4
133.04958	26.0
133.06490	4.5
133.10158	4.5
135.11696	18.6
137.05966	13.1
140.07121	3.6
147.11728	9.5
149.05960	4.6
153.12732	100.0
157.10139	13.3
161.05957	20.6
163.07480	3.6
175.11215	8.3
193.08652	8.8
193.12204	42.9
211.13263	39.5
221.08128	13.5
227.39499	3.2
235.07520	4.3
267.10175	9.0
267.15942	15.3
285.11249	42.6
285.16934	72.2
303.12363	7.5
393.53754	3.7
482.16660	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	482.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.2
55.01873	2.2
55.05513	10.2
57.03443	1.4
57.07060	2.6
65.03941	2.2
66.76770	1.0
66.81927	1.1
67.05163	1.9
67.05507	26.0
68.05828	1.4
69.03428	1.7
69.07066	14.4
70.06572	1.0
71.04984	4.4
71.31686	1.7
77.03925	1.5
79.05500	19.0
80.44050	1.1
81.07059	38.8
82.07368	1.3
83.04973	4.3
83.08623	8.0
85.02940	1.4
91.05480	17.3
93.07047	35.7
93.82417	1.1
94.07377	1.7
95.04975	7.7
95.08606	48.1
96.08940	1.4
97.06499	2.5
97.10159	5.2
99.04435	1.7
101.06026	2.9
102.09173	1.2
105.07031	26.0
107.04991	1.4
107.08596	39.9
108.08912	1.2
109.06532	2.5
109.10155	24.6
111.08083	3.8
111.11730	1.1
113.05975	2.6
115.05436	1.5
117.07015	5.4
119.08585	32.9
120.08984	1.2
121.06486	2.9
121.10146	38.7
122.10478	1.3
123.08086	5.3
123.11708	12.0
125.05987	1.8
125.09602	1.8
127.03909	1.4
129.06999	3.2
131.08572	9.9
133.06499	1.7
133.10132	23.4
135.08018	3.8
135.11696	27.6
137.05968	1.6
137.09596	5.6
137.13248	4.8
139.07547	1.4
143.07050	3.0
143.08549	6.2
145.04953	1.5
145.10123	15.8
147.11691	15.5
148.12048	1.5
149.02319	3.7
149.03452	1.4
149.09579	2.6
149.13248	12.1
151.07584	2.5
151.11174	2.9
153.09099	3.2
153.12691	1.5
155.08606	1.7
157.10136	5.9
158.10544	1.0
159.08086	1.4
159.11696	14.0
160.12109	1.0
161.09607	4.4
161.13300	12.1
163.07578	1.8
163.11166	3.4
163.14851	7.5
165.09087	1.2
167.08545	1.6
167.10542	1.4
169.08658	1.3
169.10069	3.6
171.11685	5.7
173.09631	1.5
173.13242	7.3
175.11238	2.6
175.14838	7.8
177.09212	1.3
177.12813	1.7
177.16385	3.4
179.10632	1.5
179.14366	1.5
183.11633	2.6
185.09743	1.1
185.13274	4.8
187.14853	6.9
189.12750	2.0
189.16385	14.3
190.16708	1.1
191.14316	1.3
191.17947	35.6
192.18172	1.1
193.04955	5.7
195.11830	1.2
197.13269	2.1
199.11247	1.4
199.14778	2.6
201.12862	1.6
201.16365	6.1
203.10698	1.7
203.17958	5.9
207.17455	1.6
211.14796	2.6
213.16350	3.0
215.14326	1.6
215.17963	2.6
217.19505	7.9
219.13927	1.3
222.14236	1.0
225.12677	1.2
225.16304	2.3
227.17900	2.4
229.19536	3.5
231.21100	4.8
251.17986	1.6
285.25836	3.5
297.18597	1.3
303.63147	1.1
339.18448	1.2
365.28632	2.3
367.30081	2.5
383.29434	1.2
385.30957	10.1
386.31406	1.3
393.27859	1.2
411.28848	4.4
429.30020	15.1
430.30441	1.7
437.30804	2.5
447.30856	1.1
465.30194	2.8
482.28085	6.3
482.34653	4.6
483.19604	4.4
483.32880	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.9999
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92417	0.3
56.96564	0.9
68.42977	0.3
71.30783	0.8
98.97569	6.7
116.98627	4.0
117.98921	0.4
132.96568	0.7
134.99641	1.2
156.96645	0.8
174.97621	5.7
190.95645	1.0
192.98714	5.2
196.94670	0.9
198.97810	0.9
208.96664	1.2
214.95622	7.8
215.95641	0.4
216.98717	3.0
232.96681	17.0
233.96822	2.3
234.99792	5.7
236.00235	0.4
238.95737	0.9
239.96307	0.4
240.98959	1.3
250.97762	11.1
251.97870	1.2
253.01152	0.6
256.96667	28.5
257.96860	2.5
258.99930	4.8
260.00046	1.0
260.99747	0.7
274.97729	59.9
275.97879	6.5
276.98111	0.9
277.00909	4.3
279.00912	0.5
280.96619	3.0
280.99811	0.4
282.99960	6.9
284.00061	1.0
284.99796	1.1
285.99548	0.5
289.96277	0.9
290.95950	0.7
292.98801	8.5
293.98975	0.9
297.99307	0.8
298.97736	62.3
299.97876	7.0
300.97711	0.7
301.01013	8.7
302.01279	1.8
303.00864	1.6
304.00748	0.5
305.00546	0.5
314.95734	0.8
316.98792	100.0
317.98932	12.0
332.96716	0.4
334.99893	3.2
338.95706	0.7
340.00443	1.3
340.98526	1.9
356.96817	1.3
358.99905	7.0
360.00119	1.0
374.97864	3.5
380.96820	0.9
385.00113	1.0
392.99240	0.7
398.97772	2.8
401.01193	1.0
416.98950	9.5
417.99094	1.6
422.97488	6.4
423.97922	0.9
425.01236	0.8
429.00858	0.6
440.98849	67.8
441.93207	0.8
441.98984	10.9
443.02097	1.1
445.01898	0.6
447.01752	0.9
458.99878	79.1
460.00070	12.6
477.00760	1.3
482.01541	2.7
483.00513	3.5
484.00290	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1133
Annotation	Myrciaphenone B
Peak:m/z	Relative Intensity
51.02368	0.9
53.61617	0.5
55.01863	0.6
55.83423	0.5
67.01862	3.2
68.99776	0.5
69.03419	2.4
69.43023	2.3
79.01851	4.0
79.05492	0.6
81.03417	6.9
81.07030	0.9
85.02897	4.8
87.04431	0.5
91.22227	0.5
95.04924	1.1
97.02883	7.2
97.82573	0.5
98.22557	0.9
99.04446	0.9
107.01302	2.3
109.02860	5.0
111.05577	3.1
123.04424	3.3
125.02334	2.7
127.03910	9.8
133.06487	0.6
136.03909	0.7
137.05978	2.1
137.50967	0.6
139.03908	1.1
143.03374	5.2
145.04930	1.2
151.03880	10.5
152.04272	1.0
153.01819	100.0
153.02878	4.6
154.02153	2.2
157.06131	0.6
161.09509	0.5
163.03923	0.7
165.05556	0.5
167.07047	0.8
169.04951	25.0
171.02881	9.7
175.03958	0.7
181.04918	1.1
185.08090	0.7
186.08441	0.7
193.04950	3.5
211.06062	2.8
217.15407	0.5
231.06488	0.6
235.06018	1.5
259.05981	1.0
277.07004	1.9
297.06070	8.5
315.07004	2.8
465.25198	0.5
467.79199	0.6
483.27255	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	483.1494
Annotation	CHEBI:67506
Peak:m/z	Relative Intensity
53.03930	2.2
55.01859	1.4
62.21675	0.7
65.03926	3.5
66.82029	0.7
67.05514	0.9
68.99789	0.9
69.03413	3.7
70.76220	1.7
70.76558	1.4
79.01858	1.4
79.05479	1.5
81.03410	10.5
81.07037	1.1
85.02890	3.6
86.16808	0.8
91.05473	2.2
93.03392	2.2
93.07051	1.4
94.77819	0.7
95.04938	1.0
95.34602	0.7
97.02879	5.9
97.06541	0.9
97.53529	0.7
107.01304	1.0
107.04944	2.4
107.08500	0.9
109.02882	4.5
110.03662	1.5
111.04418	8.2
116.52380	0.8
119.08607	1.5
121.02878	1.4
121.06538	0.9
123.04407	1.6
125.02337	1.5
125.05964	2.8
127.03925	5.6
127.45867	0.7
133.10136	0.9
137.02341	100.0
137.03416	7.0
137.05936	10.0
138.02647	1.8
138.06335	1.2
139.03902	2.2
143.03418	2.1
145.10092	0.8
147.04422	1.2
147.08037	0.8
151.03912	23.5
151.05040	1.8
151.07585	1.6
153.01819	33.6
153.02869	1.6
153.05458	3.5
154.02164	1.1
154.06250	1.2
155.03372	13.8
157.06436	0.8
161.05956	0.8
161.09790	0.9
163.03838	1.0
163.07652	0.9
165.05400	0.8
167.07030	6.0
169.05000	1.8
170.05826	1.1
170.07265	4.7
181.04948	2.8
181.06494	1.0
185.08139	6.1
189.09036	1.0
199.14624	0.8
203.06998	0.8
216.07813	1.7
231.10187	8.6
239.05432	1.5
271.09552	0.8
275.09146	2.4
281.06479	7.4
285.11111	1.3
295.08163	1.2
299.07590	3.4
305.67838	0.9
343.11761	1.3
385.16318	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1493
Annotation	CHEBI:67506
Peak:m/z	Relative Intensity
51.48828	1.0
53.03950	1.3
55.01876	1.4
59.82270	1.0
65.03934	4.6
67.05488	2.6
69.03416	3.2
69.21470	6.5
69.21886	2.9
71.04989	2.2
72.34193	1.1
79.05492	2.2
81.03411	8.2
81.07052	4.0
85.02887	6.2
91.05508	1.7
93.03381	2.1
93.07069	1.5
95.04957	2.4
95.08621	1.8
97.02903	3.6
98.23309	2.4
105.07033	2.3
107.04956	1.6
108.02083	1.5
109.02861	2.2
109.06551	1.2
111.04437	5.3
111.05580	2.5
119.08560	1.7
121.02847	3.0
121.06465	1.3
121.10121	3.9
122.03712	1.7
123.04419	2.5
125.05987	6.5
127.03909	1.5
131.04881	1.8
137.02335	2.3
137.05980	4.9
138.05550	1.8
139.03914	3.1
141.05405	1.5
145.10074	1.7
147.04381	1.5
151.03906	100.0
151.05000	7.5
152.04285	2.9
153.01819	5.1
157.06192	1.1
161.05949	1.9
163.03873	1.8
167.07031	10.6
167.10730	1.6
167.68486	1.1
169.04951	9.7
169.10196	1.2
177.05511	2.7
179.03383	1.4
181.04962	16.3
185.08063	2.5
193.08578	1.4
254.62727	1.2
261.07629	1.9
295.08047	6.5
313.09302	1.7
346.79523	1.2
483.18225	6.5
483.27576	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27169	0.4
53.03943	1.0
55.01863	1.2
55.05502	0.7
57.07058	0.7
59.05004	0.6
66.52771	0.4
67.05491	2.0
69.07052	1.6
71.24574	0.5
79.05484	2.5
81.07066	2.7
91.05482	4.8
91.06014	0.7
93.07047	2.5
95.04972	1.5
95.08607	2.7
97.02921	0.5
97.06510	1.0
99.04434	0.7
103.05462	51.3
104.05781	1.3
105.07018	12.6
107.08597	2.3
109.10151	1.4
111.08094	0.6
115.05447	2.0
117.06120	0.4
117.07030	1.0
119.04935	4.6
119.08562	2.9
121.06484	0.5
121.10160	1.9
123.08102	0.7
129.06996	0.5
131.04922	100.0
131.08571	2.0
131.30705	0.5
132.05200	2.7
133.06473	8.0
133.10112	1.4
135.08022	1.2
135.11627	1.1
137.05966	2.6
141.07001	0.5
141.32751	0.5
143.06041	0.8
143.08572	0.7
145.10109	1.8
147.04391	7.7
147.07993	0.4
147.11737	0.7
149.09645	0.8
149.13243	0.5
151.07545	1.9
151.11209	0.6
157.10132	1.4
159.08072	0.6
159.11745	1.4
161.05969	21.5
161.13260	0.9
162.06342	0.9
163.07533	29.4
164.07916	0.8
169.10132	0.7
171.11725	1.4
173.09631	0.7
173.13242	1.0
175.11230	0.8
177.09219	0.8
179.07034	5.7
183.11691	1.1
185.05717	7.8
185.09523	0.6
185.13336	0.7
187.11154	1.0
187.14821	0.6
189.12753	0.5
193.08569	0.5
197.13318	0.6
199.07585	1.6
201.05293	0.9
201.12680	0.7
231.08022	0.5
259.07520	0.8
261.07376	1.7
291.10165	3.7
312.65320	0.4
323.12732	1.4
419.29346	0.8
423.13879	2.7
437.30890	0.9
465.30267	1.4
483.15909	2.2
483.22302	0.4
483.26932	2.7
483.30295	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	483.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.5
53.03939	3.3
55.01868	4.2
55.05254	1.6
55.05508	22.7
57.03439	2.0
57.07083	1.4
59.04986	1.5
62.74902	0.8
65.03937	13.8
67.05500	14.3
68.99793	4.1
69.03426	11.9
69.07062	20.0
71.01337	2.2
71.04994	4.3
71.08633	1.0
71.32921	0.9
73.02907	1.0
78.28680	0.9
79.05487	14.2
81.03414	13.3
81.07054	33.0
81.50352	1.1
82.07383	1.2
83.04979	10.5
83.08616	5.0
84.02190	0.9
85.02899	5.9
85.06532	2.6
91.05476	23.3
92.22435	1.0
93.03409	5.9
93.07045	18.8
94.04169	3.3
94.07352	0.9
95.04954	10.9
95.08598	26.4
96.08950	1.0
97.02893	5.2
97.06545	5.6
97.10162	23.5
97.10739	1.9
99.04444	2.7
99.08079	1.0
103.05463	4.1
105.07025	33.0
107.04936	9.2
107.06504	1.0
107.08590	18.6
109.02872	11.1
109.06513	9.3
109.10154	14.6
110.03716	1.1
111.04437	19.7
111.08092	3.8
111.11732	2.7
112.01575	7.9
113.02361	1.3
115.05431	2.4
115.07590	1.1
116.06239	1.7
117.07022	10.4
119.04946	7.3
119.05676	1.3
119.08568	14.6
121.02835	6.4
121.06496	24.5
121.10149	16.7
122.03651	7.1
123.04417	3.9
123.08059	4.3
123.11691	9.9
124.05207	2.2
125.02338	2.0
125.05988	11.7
125.09649	5.9
127.03915	49.7
128.06218	4.9
129.07001	3.6
131.04912	2.5
131.08543	8.6
133.06483	12.4
133.10118	8.6
135.04405	1.3
135.08055	9.0
135.11671	9.0
136.05167	1.1
137.05974	100.0
137.09631	3.4
137.13261	2.7
138.06308	2.6
139.03891	14.8
139.07549	1.4
139.11156	6.9
140.04655	5.8
141.06886	1.4
142.07721	1.4
143.08568	15.9
143.10625	4.8
144.05690	3.2
145.05223	1.3
145.06477	12.4
145.10094	10.3
146.07185	1.3
146.66006	0.9
147.04379	1.9
147.08072	4.9
147.11691	9.2
148.08830	1.5
149.05974	1.8
149.09618	9.2
149.13254	5.0
151.03906	19.8
151.04958	1.5
151.07542	35.7
151.11188	3.9
153.01868	0.9
153.05449	16.2
153.12755	2.6
155.03384	54.7
155.08511	2.4
156.03659	1.0
156.09306	1.7
157.06541	1.4
157.10126	5.1
157.12245	3.3
158.03635	1.3
158.07248	2.9
158.10892	1.0
159.08066	5.2
159.11678	7.6
159.20438	1.0
160.08850	1.9
161.05994	3.9
161.09612	8.8
161.13232	5.2
162.06767	8.4
163.03879	1.4
163.07547	7.4
163.11188	3.3
163.14784	2.1
165.05495	2.1
165.09113	20.4
165.12746	3.1
167.10741	1.1
169.10086	2.0
171.08041	11.0
171.11650	2.9
172.08818	8.6
173.05998	2.6
173.09569	4.3
173.13269	4.8
174.06755	1.3
175.07553	3.1
175.11192	6.2
175.14838	3.1
176.11945	0.9
177.05466	2.1
177.09128	9.4
177.12727	4.7
177.16319	1.1
178.09866	1.3
179.10634	1.8
180.07767	4.9
181.08609	1.4
181.10005	1.3
183.07983	1.5
183.11685	2.0
185.13243	3.0
186.10397	10.2
187.07516	2.1
187.11168	22.5
187.14760	5.2
188.08298	10.9
189.09052	5.1
189.11302	1.1
189.12811	1.5
189.16380	2.2
191.06935	1.1
191.10645	2.1
191.14197	1.3
193.10242	1.2
193.12170	1.8
195.08113	1.1
195.11623	1.5
195.17445	1.0
197.13297	2.5
199.11253	1.2
199.14803	1.5
200.04672	1.6
201.09100	3.2
201.12750	1.7
201.16431	3.4
203.08737	1.9
203.10649	30.4
204.11092	1.8
205.12219	9.1
205.15829	2.7
209.13350	1.8
209.15434	1.0
211.07652	1.8
211.11201	1.3
211.14828	1.5
213.09120	0.9
213.12828	1.6
215.07031	4.1
215.10748	1.0
217.15855	1.3
219.10147	1.8
219.13724	1.1
221.11713	54.9
222.12068	3.1
223.11189	1.2
223.38008	1.1
225.16422	1.0
228.04153	1.3
229.04985	1.1
229.08440	1.2
235.11269	2.0
237.18459	1.1
239.14211	1.2
241.66681	1.0
243.06490	10.6
243.10153	1.3
255.09962	1.3
257.08023	2.3
257.22653	1.3
263.10605	3.2
265.08734	1.1
271.09634	3.8
275.09094	8.5
275.23575	1.0
277.08524	2.0
277.21613	1.1
279.13745	1.0
280.11038	2.0
281.11813	2.0
285.22144	1.9
289.07074	3.4
289.10654	2.9
291.08640	7.4
295.13275	8.6
303.12241	5.5
303.23236	8.0
304.12924	1.0
309.14908	1.7
310.15591	10.2
311.09097	1.6
311.16309	9.0
315.01376	2.8
315.14569	1.2
321.24149	6.6
329.17435	2.6
331.15329	1.5
339.12393	1.1
341.13828	2.4
359.14871	15.7
360.15399	1.6
411.25156	1.1
419.29248	1.2
437.30615	2.8
447.27667	5.2
465.19092	8.3
465.28955	7.0
483.19879	1.6
483.31116	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	483.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	0.9
57.07046	2.0
59.45778	0.8
63.27695	0.5
67.05476	1.9
71.08611	1.3
71.29695	0.6
78.39126	0.5
79.05478	0.7
81.07031	1.5
83.08585	0.9
83.50723	0.5
88.07587	0.8
89.06042	3.9
91.90196	0.5
93.07033	1.2
95.08575	1.5
97.10135	1.1
105.07034	0.6
107.08602	0.8
109.10120	0.7
109.39709	0.5
116.38238	0.6
121.10141	2.1
129.07034	0.6
131.08592	0.8
133.08568	1.7
135.11684	0.7
139.11205	0.8
145.10115	1.0
159.08003	1.5
161.05945	0.6
161.09665	0.6
166.53812	0.5
175.14684	0.5
176.04660	3.6
177.05457	4.1
177.11166	0.8
186.06729	0.7
187.07579	2.0
189.05484	1.6
200.20056	1.0
201.08940	0.6
214.06238	4.4
228.07791	1.8
228.23189	1.0
229.08591	100.0
230.08900	4.3
233.45772	0.5
237.14774	1.1
241.08598	4.1
247.09648	72.9
248.10011	3.5
253.08546	1.4
263.13080	0.5
283.13257	8.5
283.17523	1.6
283.26279	1.7
301.14355	6.8
311.29327	1.4
465.22925	1.0
483.23767	52.3
484.24200	5.3
484.47174	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	483.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42833	0.5
53.46096	0.6
55.05486	1.3
57.07059	1.3
58.21429	0.5
59.45797	0.8
61.01508	0.5
67.05478	1.3
69.07027	0.8
70.06573	0.9
70.64066	1.7
71.08614	1.5
79.05463	1.1
81.07035	1.9
83.08603	1.1
88.07594	1.1
89.06033	3.8
91.05470	1.0
93.07008	1.6
95.08587	2.6
97.06503	0.6
97.10149	1.1
97.22650	0.5
102.09142	0.8
105.07011	1.0
107.08572	0.9
117.06995	0.6
121.10117	1.9
131.08554	1.0
133.08557	2.4
135.11641	1.0
137.09613	0.5
139.11127	1.7
148.05087	0.6
159.08020	1.5
171.04314	0.7
176.04698	4.4
177.05426	3.0
185.94594	0.6
186.06808	0.7
187.07504	1.9
189.05423	2.1
191.14267	0.8
200.20067	1.9
211.07527	0.6
214.06241	4.9
218.61787	0.6
228.07860	1.3
228.23195	1.3
229.08600	100.0
230.08936	4.0
233.35681	0.6
237.14638	0.6
241.08655	5.1
247.09653	79.5
248.10022	3.8
253.08557	1.7
283.13281	7.8
283.17542	2.1
283.26318	1.5
284.17841	0.8
301.14352	8.0
311.29486	1.5
465.22559	1.3
483.23776	54.4
483.38330	1.6
484.23911	5.5
484.47223	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	483.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.7
55.05508	3.3
57.07058	0.8
67.05505	3.5
69.07063	4.3
69.57970	1.8
71.04953	0.6
79.05479	4.0
81.07053	5.8
81.91846	0.4
83.04977	0.9
83.08609	1.6
85.06522	0.6
91.05470	2.9
93.07040	5.7
95.04953	1.2
95.08613	6.2
97.06503	1.3
97.10162	1.3
99.03302	0.4
99.08083	0.8
105.07020	6.2
107.08573	5.1
109.06505	0.6
109.10151	3.1
111.08092	0.8
115.05450	0.6
117.06975	1.2
119.08567	6.3
121.06487	1.1
121.10128	4.9
123.08038	1.5
123.11687	1.5
125.09647	0.5
128.06197	0.9
129.06999	1.0
130.07596	0.5
131.08517	2.3
133.06503	0.8
133.10094	3.9
135.08020	1.3
135.11665	2.7
137.09601	1.7
137.13170	0.6
139.11157	1.0
143.08510	1.6
145.10117	3.3
147.07996	1.3
147.11694	2.2
149.09564	1.5
149.13208	1.0
151.07494	0.7
155.08586	0.8
157.10078	1.8
157.47289	0.5
158.13866	0.4
159.08017	0.5
159.11673	2.7
161.09576	1.9
161.13243	2.3
163.06311	0.5
163.11235	1.1
163.14749	1.1
169.10048	1.1
171.11687	1.2
173.09654	1.1
173.13277	1.1
175.11101	1.2
175.14819	1.8
177.12766	1.1
179.14243	0.7
181.10138	0.4
183.11739	1.1
185.09665	0.9
185.13203	1.6
187.11145	0.8
187.14804	1.9
189.11182	0.5
189.12730	1.1
189.16374	2.1
195.11633	0.7
199.11203	0.8
199.14742	0.9
201.12709	1.1
201.16432	0.7
203.14255	0.6
211.11331	0.5
213.12804	0.6
215.14244	0.9
217.12093	0.7
217.15858	0.7
219.13731	0.6
229.12242	0.8
229.15808	0.7
245.18941	0.8
255.17345	0.9
261.14725	0.8
263.20038	0.6
273.18518	1.1
291.19519	2.5
309.20612	2.8
320.61734	0.5
351.26663	0.8
367.29651	0.9
391.29642	0.6
395.29565	0.7
401.29150	0.6
411.28882	0.6
413.30478	3.1
419.29443	0.8
429.29947	1.5
437.30762	2.8
441.29648	1.0
447.30923	3.6
455.31836	4.0
465.30600	3.0
483.29306	100.0
484.29892	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	483.293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34807	0.5
55.01869	1.0
55.05519	3.3
57.07066	0.7
58.32850	0.6
60.25307	0.6
60.33479	0.5
65.03924	0.8
67.05501	6.9
69.07068	4.2
69.36064	3.2
71.04998	1.2
79.05494	5.0
81.03415	1.0
81.07060	11.5
83.04955	1.4
83.08624	2.7
85.02927	0.6
91.05470	4.6
93.07039	7.4
95.04970	1.5
95.08605	10.5
97.06512	1.2
97.10168	2.7
98.23296	1.2
105.04491	0.5
105.07043	7.0
107.04971	0.6
107.08603	6.6
109.06500	1.6
109.10147	3.9
109.93717	0.6
111.04456	0.7
111.08060	1.0
117.07004	2.0
119.08578	6.6
121.06519	0.9
121.10136	5.9
123.08051	5.0
123.11702	2.5
125.05991	0.9
125.09639	1.0
129.07025	1.2
131.08589	3.0
133.10124	4.8
135.08012	1.1
135.11702	4.1
137.09613	1.4
137.13255	0.6
137.74695	0.6
139.11217	1.1
141.06993	0.7
142.07761	0.8
143.07555	0.6
143.08517	3.1
145.10123	3.8
147.04396	1.0
147.08075	1.0
147.11650	2.9
149.09621	1.2
149.13271	1.3
151.07547	2.7
151.11148	0.7
153.09091	0.8
155.08527	1.1
157.10123	2.3
158.10909	0.8
159.08049	1.3
159.11685	2.4
161.09656	1.3
161.13252	1.9
163.11166	0.8
163.14824	1.3
165.12862	0.6
169.08621	0.7
169.10094	1.2
171.11687	2.4
173.09535	0.7
173.13271	2.7
175.11179	1.1
175.14836	1.6
177.12723	0.7
177.16420	0.7
181.10117	0.8
183.11687	1.5
185.13268	2.2
187.11150	1.2
187.14824	2.3
189.09102	0.8
189.16428	1.4
191.14331	0.6
195.11703	0.6
197.13245	0.9
199.11108	0.7
199.14819	1.3
201.12788	0.6
201.16469	0.8
203.14386	0.7
211.11288	0.7
211.14920	0.9
213.12636	0.6
213.16272	0.7
223.14998	0.9
227.18127	0.6
231.13820	0.9
237.16428	0.7
239.14360	0.6
243.21135	0.6
243.58372	0.8
255.17546	1.2
261.22238	1.0
273.18649	0.8
277.21542	0.8
279.23285	2.6
281.18887	0.6
297.24219	1.0
337.22318	0.7
355.23175	0.7
401.29160	0.7
419.29633	1.9
429.29880	1.9
437.30444	2.4
447.29605	1.1
455.30835	0.7
465.30209	4.0
483.29340	100.0
484.29681	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	483.3101
Annotation	Coronalolide
Peak:m/z	Relative Intensity
51.73502	1.1
53.03944	1.8
55.05506	9.1
57.07071	2.0
64.79566	1.2
65.03933	1.9
67.05502	12.1
69.03432	2.0
69.07057	6.9
69.13964	12.2
71.05009	2.3
73.45612	1.3
79.05495	8.4
81.07053	19.9
83.04998	2.3
83.08648	4.2
86.09751	1.8
91.05476	10.5
92.82520	1.2
93.07037	16.2
95.04968	2.0
95.08603	37.4
95.09177	1.9
97.02904	1.2
97.06550	3.3
97.10193	3.7
99.04448	1.7
99.08123	3.6
100.11287	2.0
103.05515	1.3
105.07025	23.7
105.07686	1.2
107.08574	19.5
107.09219	1.6
109.06557	3.6
109.10155	21.9
111.08119	4.1
113.09686	1.6
115.05500	1.2
117.07056	5.0
119.08574	33.5
119.09365	1.9
121.06538	3.0
121.10136	16.3
123.08057	7.7
123.11737	5.5
125.09637	1.5
128.06258	3.2
129.07040	3.9
130.07750	1.5
131.08551	15.4
133.10121	14.9
135.08034	6.0
135.11703	11.1
137.06012	1.8
137.09599	16.3
137.13286	1.9
139.11177	2.0
141.07030	2.7
142.07806	4.2
143.08565	15.6
144.09396	3.5
145.10123	27.4
145.11171	2.3
147.08092	3.5
147.11713	9.6
149.06018	1.3
149.09674	4.2
149.13277	4.3
151.11258	3.9
153.12796	4.4
155.08565	10.1
156.09390	4.3
157.10130	23.4
158.10930	3.6
159.08076	1.6
159.11678	26.4
161.09650	4.2
161.13258	7.9
163.11182	3.2
163.14948	2.0
165.07074	1.4
165.12878	1.6
167.08591	2.2
168.09358	2.8
169.10115	10.8
170.10933	3.5
171.08162	1.6
171.11668	12.9
172.12155	1.4
173.09726	1.8
173.13264	15.8
175.11296	4.4
175.14812	8.2
177.12743	12.0
179.08621	3.1
179.14272	6.2
180.09395	1.7
181.10056	10.8
181.12312	2.1
182.10901	1.7
183.11693	24.2
185.09686	2.4
185.13231	25.7
185.14624	1.8
187.11250	2.7
187.14792	12.8
189.12833	3.0
189.16449	3.2
191.10774	2.6
191.14285	6.6
192.09384	3.1
193.10208	5.5
193.15994	1.4
194.11012	2.6
195.11934	9.7
195.13901	8.9
196.12498	2.7
197.13255	7.6
199.14844	8.1
201.12717	5.9
201.16472	4.8
203.14285	11.6
205.10252	2.9
205.15965	5.4
206.10950	2.6
207.11748	14.0
207.13560	1.8
208.12534	2.6
209.13246	9.4
210.14137	1.7
211.14870	6.0
213.12845	2.1
213.16507	4.2
215.14391	3.1
215.17886	1.6
217.15907	2.6
219.11816	2.7
219.13943	7.0
220.12555	1.9
221.13365	5.7
221.15428	3.1
223.14783	7.0
225.09184	2.7
225.12823	1.3
225.16344	8.2
226.17108	1.4
227.14470	2.3
229.16010	5.2
231.13968	3.4
231.17351	1.7
233.13319	3.8
234.14111	2.4
235.14859	7.3
235.17012	1.9
237.16339	6.8
239.17946	8.8
241.15927	1.5
243.17644	5.3
245.19127	4.5
247.15038	2.9
249.16423	15.0
250.17082	2.3
251.18047	4.0
255.17511	1.6
257.19104	2.6
261.18649	4.1
263.18103	2.8
265.19574	1.6
267.17410	12.6
269.19055	3.4
275.18100	2.6
277.19516	9.7
279.21078	1.4
281.19308	2.3
285.18604	3.1
287.17850	1.6
289.19690	1.7
291.21152	1.7
293.19305	2.0
295.17215	3.2
295.20712	9.2
305.19250	1.4
307.20667	3.0
313.17816	8.8
315.20779	1.5
321.22266	2.0
325.21750	2.5
327.19662	1.7
333.22250	2.9
359.23627	3.1
361.25424	5.3
373.25049	2.2
373.36630	1.7
377.21100	2.4
377.28760	2.7
379.26703	2.2
389.28409	3.5
391.30298	4.1
401.28381	17.1
403.30304	1.6
407.29770	4.4
419.29483	38.3
420.29996	3.4
421.31052	4.3
437.30484	27.2
438.31000	2.3
439.32587	1.5
447.28946	14.5
453.30316	2.0
465.30020	40.1
465.36389	2.6
466.30466	2.2
483.10779	3.2
483.31223	100.0
484.31448	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	483.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	2.0
57.07058	4.0
66.34232	0.9
67.05479	3.8
69.07043	4.7
69.31628	5.8
69.32054	2.1
71.08608	3.0
77.75341	1.0
79.05463	4.7
81.07058	7.3
83.08583	2.6
85.10159	1.8
89.06026	13.0
90.06328	2.1
91.05448	4.1
93.07043	8.0
95.08605	12.0
97.06500	1.2
97.10160	2.3
105.07021	8.8
105.08065	1.0
107.08581	11.8
109.10163	5.7
117.06969	1.6
119.08568	15.1
121.06453	1.0
121.10130	7.1
123.11686	2.1
125.09656	1.5
131.08575	6.5
131.86913	1.2
133.08607	7.2
133.10129	9.4
134.08913	2.0
135.07993	2.2
135.11696	7.7
137.13225	1.2
143.08531	1.9
145.10106	8.0
147.11652	6.8
149.09660	1.1
149.13214	2.8
157.10042	4.5
159.08066	1.4
159.11681	6.0
161.09584	1.4
161.13177	3.9
163.11130	1.4
163.14711	2.9
169.10068	1.4
171.11633	2.5
173.13234	8.3
175.14754	2.5
177.11150	3.2
177.12701	6.7
183.11665	2.0
185.13170	3.0
187.14751	2.8
189.16388	15.8
190.16553	1.7
191.14264	2.6
191.17830	1.6
197.13165	1.5
199.11073	1.3
199.14769	1.8
200.11966	1.0
201.11221	1.2
201.12744	14.0
201.16354	4.7
203.14326	9.5
211.14806	1.3
213.16403	1.8
215.14238	2.3
217.15863	6.2
219.13765	13.1
223.14729	1.3
225.16389	1.6
227.17729	1.1
229.15814	2.4
231.17334	1.9
243.17268	2.1
251.17973	1.4
269.18848	1.9
271.20673	1.2
283.17331	2.7
283.20358	1.4
284.17673	2.5
387.30215	1.8
405.31519	7.6
423.32178	1.5
435.28955	1.2
450.31274	7.5
451.31302	1.3
465.33685	15.6
466.33270	1.6
483.34293	100.0
484.34598	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	483.3445
Annotation	Oncostemonol E
Peak:m/z	Relative Intensity
55.05512	0.7
58.37494	0.3
67.05508	1.1
69.03430	0.4
69.07079	0.5
79.05492	0.8
79.25363	0.3
81.07065	1.6
83.05018	0.4
83.08625	0.7
91.05519	0.7
93.07068	1.2
95.08599	1.8
105.07018	1.6
107.08578	1.6
109.06550	0.4
109.10162	1.1
119.08583	1.7
121.10176	1.3
123.08079	0.3
123.11755	0.4
125.09702	0.5
129.06958	0.4
131.08583	0.6
133.10179	1.3
135.08116	0.3
135.11687	0.5
137.09718	0.3
143.08604	0.7
145.10126	0.7
147.08159	0.3
147.11708	0.6
149.09653	0.5
149.13297	0.7
156.09393	0.3
156.63373	0.3
157.10168	0.4
159.11752	0.7
161.13275	0.5
163.14816	0.5
171.11694	0.6
172.66946	0.3
173.13339	0.9
175.14929	0.4
185.13304	0.3
187.14900	1.0
189.16438	0.4
199.14934	0.4
201.12791	0.5
201.16455	0.5
217.12288	0.3
231.13832	0.4
327.18604	0.4
419.29553	0.8
437.30548	0.9
445.41205	0.3
447.29303	0.3
465.30377	1.6
483.34604	100.0
484.34958	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	483.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.1
57.07072	1.4
67.05496	1.6
69.07072	2.6
69.53538	3.7
69.53944	2.8
79.05511	1.6
81.07074	3.4
89.06020	4.0
92.54185	1.0
93.07045	2.1
95.08607	2.3
107.08669	1.2
109.10184	1.3
119.08606	2.0
121.10182	2.0
133.08633	2.1
133.10162	1.2
135.11740	1.4
145.02953	1.1
161.13348	1.0
234.79120	1.3
271.90842	0.9
283.17606	1.2
284.17813	1.4
369.46182	1.3
483.38229	100.0
484.38504	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	484.1213
Annotation	Flucycloxuron
Peak:m/z	Relative Intensity
50.34583	0.9
52.93158	0.8
54.12989	0.8
54.49081	1.0
69.03443	1.0
69.56112	3.1
69.56532	2.0
71.04996	1.0
79.05490	1.1
85.02891	1.7
91.56573	0.8
97.02879	1.1
101.63644	0.9
106.06480	0.9
127.03899	1.8
130.32840	0.7
143.07030	0.8
150.37616	1.0
152.07117	1.0
153.01814	4.5
206.04529	1.6
223.98314	0.9
243.06641	0.9
450.13727	0.9
484.12106	100.0
485.11713	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	484.145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.4
65.03928	3.8
69.03426	4.0
71.33189	2.8
79.01848	2.4
79.05483	10.2
81.03404	8.2
81.05798	2.4
83.05002	1.7
85.02933	2.1
86.32694	1.6
92.05003	8.4
96.01317	2.5
96.08109	9.0
97.02887	2.8
106.06546	62.1
108.08110	40.8
109.02856	3.3
109.05277	1.9
117.79632	1.9
122.06035	5.7
123.06810	7.1
124.07586	39.2
125.02343	3.5
127.03928	3.3
134.06030	30.3
136.07555	8.1
137.08403	3.7
137.23042	1.8
139.03918	7.1
140.39050	1.6
143.03354	6.3
151.03859	2.1
152.07063	89.9
153.01825	100.0
153.02852	4.4
154.02153	3.1
170.08121	70.9
171.02904	3.6
228.06432	1.8
258.07663	6.0
259.08414	11.3
260.09137	6.0
274.07166	5.0
286.07034	3.9
297.06012	5.2
299.88446	1.9
304.08142	6.3
313.05884	2.2
314.12335	6.3
315.06677	2.7
332.13168	2.2
368.07288	1.7
404.51154	2.2
419.08566	1.8
466.13455	48.9
467.13907	3.0
484.14465	53.4
485.14111	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	484.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.5
53.03947	0.5
53.46429	0.4
55.01852	0.4
57.03422	0.4
59.71891	0.4
61.02927	0.7
65.03935	1.7
67.05499	3.6
69.03424	1.7
70.06590	0.5
71.30602	0.5
73.02939	0.8
79.05486	1.7
80.04971	0.5
81.03407	1.4
81.07053	1.3
82.06578	0.4
85.02906	2.5
91.05487	0.5
93.05773	1.2
95.04957	0.4
96.08132	0.8
97.02882	1.4
106.06541	3.1
108.08117	100.0
108.13948	0.4
109.02895	0.4
109.08454	1.5
109.10071	0.4
123.04427	0.7
123.06796	4.7
124.07590	15.9
125.06079	0.5
127.03959	0.5
134.06017	10.0
136.07576	15.5
136.08620	0.8
137.08310	0.9
150.05531	0.5
152.07065	50.7
153.01842	3.0
153.07414	1.4
154.08627	2.1
170.08144	1.4
171.16370	0.4
215.42853	0.4
222.14937	0.5
224.54346	0.4
260.09048	0.5
304.19003	1.5
314.12332	53.8
315.12744	2.5
466.13083	0.6
484.14490	9.5
484.25217	1.1
485.15799	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.3
53.03949	4.1
53.64237	0.8
55.01869	1.7
55.05500	1.1
58.05550	1.0
67.05507	2.6
67.13866	0.8
67.17757	0.8
68.94469	0.8
69.07048	0.8
70.87705	1.2
71.04994	1.1
71.38763	0.8
77.03931	1.4
78.18828	0.9
79.05490	3.2
81.07043	3.2
82.73198	1.1
83.04961	0.9
83.08629	1.1
91.05462	4.6
93.07043	2.5
95.04975	7.1
95.08601	3.2
95.88432	1.0
98.22784	1.1
103.05461	4.0
105.03391	100.0
105.07008	6.5
106.03741	2.9
107.04954	28.5
107.08575	4.4
109.10149	1.9
114.64449	0.9
115.05467	3.7
117.07035	2.8
119.08564	4.2
121.06503	4.2
121.10148	3.2
123.11670	1.2
128.06187	2.4
131.04910	1.8
131.08533	1.6
133.06509	5.9
133.10120	3.8
135.08049	4.7
135.11696	1.3
136.05206	1.8
143.08562	4.5
145.10100	2.0
147.08055	9.2
147.11723	1.3
148.05182	1.8
149.05983	8.7
149.09612	1.3
149.13278	2.0
151.07535	6.4
157.10187	1.1
161.05983	25.0
161.09628	12.4
161.13258	1.5
163.07547	29.2
163.14879	0.8
164.08095	1.2
165.09132	2.5
171.08066	2.5
171.11676	1.8
173.13266	1.4
175.07561	6.4
175.11223	1.0
175.14864	1.8
177.09064	2.0
178.09889	88.0
179.10439	6.0
187.14806	2.3
189.09106	76.1
189.16367	0.9
190.09511	3.1
194.09520	1.0
201.16434	1.1
229.15923	1.0
233.15224	1.1
297.11258	2.8
299.12781	3.9
311.12756	7.4
327.15970	4.0
421.31033	1.5
437.30701	1.3
438.30795	1.6
439.32236	1.9
449.19525	1.6
449.30173	1.3
466.30246	1.3
467.31491	3.3
483.33783	1.3
484.34589	9.7
485.25613	1.7
485.32385	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	484.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01548	0.7
52.92142	0.7
53.03935	2.6
55.01872	1.9
55.05509	3.2
56.96568	1.7
57.03436	2.2
57.07067	0.9
59.05001	1.7
61.02914	2.4
67.05503	2.4
69.03426	11.0
69.07072	6.8
70.06590	1.0
71.04996	2.7
73.02943	1.1
79.05488	7.7
81.03415	2.2
81.07060	22.2
83.04986	2.8
85.02908	21.6
86.09720	1.8
87.43353	0.7
91.05490	1.8
93.07018	0.9
95.04958	1.6
95.08625	2.4
97.02885	6.2
97.06534	1.2
97.10188	7.3
98.97588	11.5
99.04458	2.6
101.02399	1.8
105.07049	1.7
107.08583	8.7
109.02861	2.0
109.06536	2.0
109.10149	1.1
110.38039	0.7
115.04005	1.0
115.07573	1.7
116.98660	4.5
119.08600	0.8
121.02914	0.8
122.06019	1.0
123.04421	1.4
123.08048	1.1
123.11810	1.1
124.07598	1.4
125.00024	1.2
125.09637	100.0
126.09972	2.7
127.03905	5.0
127.11209	5.1
137.02348	0.9
137.06062	1.2
137.13358	1.2
140.07060	1.3
141.07288	0.8
143.10684	16.2
145.04982	6.6
145.10280	0.8
147.04414	0.9
151.11171	2.8
153.01831	1.6
158.99707	1.8
162.05479	1.6
163.06084	4.4
169.12303	4.4
177.00684	0.9
184.07327	3.8
187.10921	0.8
263.09546	3.2
269.13824	13.8
281.10526	2.8
287.14899	6.0
303.13440	1.4
304.13672	3.0
305.10724	3.4
305.16000	7.1
322.16437	1.3
323.11655	5.1
325.11267	2.0
341.12744	1.3
365.12643	2.9
425.14777	6.1
443.15823	1.8
485.16507	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	4.5
55.05515	3.7
55.54977	1.5
57.03431	5.7
67.05499	2.4
68.43024	1.7
69.03429	8.8
69.07059	3.3
71.21304	2.7
75.04478	7.7
77.03986	1.8
79.05495	23.6
81.03424	9.4
81.07053	9.8
83.05007	2.0
85.02911	7.7
91.05466	12.3
93.07042	100.0
95.04984	4.1
95.08618	7.9
97.02903	6.0
97.10188	2.4
99.04464	3.2
105.07045	15.1
107.08591	24.6
109.02888	3.8
109.10143	3.1
111.04446	3.0
111.08096	7.3
117.06995	2.5
119.08584	17.9
121.06503	11.4
121.10146	91.2
121.23000	1.7
122.10503	2.5
125.05976	2.0
125.09617	2.4
127.03927	5.9
131.08578	5.3
133.06525	6.0
133.10190	1.8
139.11197	5.6
145.05032	2.7
145.06508	2.1
147.08080	2.9
149.09624	16.0
151.07578	7.7
153.01871	3.8
157.10146	1.8
160.12013	1.8
167.10667	26.9
173.09621	3.9
173.17833	1.7
173.97696	1.7
177.70055	1.8
185.09627	2.0
187.11221	1.9
189.09082	4.1
190.09427	1.7
191.10677	6.6
213.12791	5.0
241.15868	3.4
269.15375	5.0
287.16367	10.0
293.13818	5.4
311.14862	18.2
357.81842	2.0
395.18436	2.7
431.20392	2.9
484.25516	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87339	0.4
53.03912	0.5
55.01826	1.1
55.05461	3.4
57.03433	6.4
58.06597	28.6
58.06854	1.9
59.07381	8.9
60.08158	8.2
67.05504	7.6
69.07060	4.0
71.04928	0.6
71.33713	0.9
73.02870	1.1
75.04473	3.5
79.05497	2.8
81.07054	9.0
81.88396	0.4
82.07348	0.7
83.04931	1.1
83.08569	1.7
84.08078	0.5
85.02885	2.2
86.09703	0.5
87.04462	5.5
91.05470	2.7
91.06238	0.4
93.07042	5.0
95.04931	1.0
95.08598	7.6
96.08917	0.6
97.06488	1.4
97.10130	0.9
98.69109	0.4
101.05987	0.5
103.03929	1.1
105.05455	1.1
105.07018	4.2
106.07304	0.5
107.08593	4.2
108.08869	0.5
109.06515	0.7
109.10156	4.2
113.05950	0.5
117.06938	0.9
119.08572	3.9
121.06489	0.6
123.08018	0.7
123.11659	1.2
125.09567	1.0
131.07008	2.2
131.08493	1.8
133.06400	0.4
133.10097	3.2
134.10434	0.4
134.94370	0.4
135.08003	0.9
135.11626	1.8
136.79553	0.4
137.09531	0.6
137.13173	0.6
139.11040	0.5
143.08467	0.9
144.09052	0.7
144.10190	7.4
144.53264	0.5
145.10065	2.7
147.07997	0.9
147.11647	1.8
149.09518	0.7
149.13228	0.8
157.10089	1.1
159.11633	1.2
161.09541	0.5
161.13156	1.8
162.11273	3.4
163.14801	0.8
171.11737	0.8
173.13257	2.1
175.11186	0.7
175.14780	1.8
182.10388	0.5
183.11647	0.7
184.07397	0.7
185.13287	1.0
187.14767	1.7
189.16362	1.1
191.14305	0.7
195.11699	0.5
197.13242	0.5
199.14775	0.5
201.12648	0.8
201.16315	1.1
205.15695	0.5
213.16336	0.5
218.13885	0.8
227.17850	0.6
236.14915	100.0
237.15245	3.3
241.19427	0.7
284.78500	0.5
324.22818	0.6
403.29926	0.8
420.29456	0.5
421.31143	1.3
425.30579	1.0
426.27075	0.5
438.30844	1.8
439.32281	2.2
448.30307	1.0
466.30408	1.1
466.35373	22.0
467.30930	4.0
484.36438	62.2
485.31839	2.3
485.36935	3.8
493.67838	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	21.5
55.05510	13.5
57.07064	37.6
67.05490	26.5
69.07061	30.5
69.99657	7.3
71.08620	25.3
71.33621	9.8
79.05492	41.7
81.07063	47.2
83.04987	28.1
83.08616	22.5
85.10174	11.1
89.06031	22.9
91.05482	33.1
93.07041	28.6
95.08606	49.8
96.48006	7.6
97.06517	9.3
97.10186	13.0
99.11816	7.1
102.00195	7.1
105.07030	23.2
107.08602	35.7
109.06498	8.2
109.10145	25.5
111.04434	25.4
117.07021	12.2
119.08530	20.1
121.10140	23.0
125.09579	7.5
131.08536	12.3
133.08624	11.1
133.10110	35.9
135.08057	82.0
143.08537	8.1
145.06477	7.9
145.10133	18.1
147.08041	13.1
147.11661	17.9
159.08073	10.7
159.11632	15.0
161.09570	9.3
161.13234	13.8
163.07536	84.7
167.45880	7.3
169.10002	8.8
171.11678	10.6
173.06070	8.3
173.09618	17.6
175.14825	13.2
187.11200	21.7
194.57867	8.1
215.10655	15.1
230.88869	7.8
233.11723	30.0
263.23795	11.0
395.29306	21.7
413.30368	52.4
431.31482	100.0
432.31918	13.2
449.32172	20.2
467.31732	9.0
484.34811	57.4
484.41272	16.2
484.47406	10.5
485.32321	22.0
506.46213	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	485.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.8
52.36033	0.4
53.03934	0.5
55.01863	0.6
56.96563	0.5
57.03442	0.8
62.36831	0.4
62.78386	0.4
65.73628	0.3
68.99774	0.5
69.03442	2.5
71.31623	0.7
73.02924	0.5
76.87414	0.3
77.96643	0.4
79.01849	4.7
79.05492	0.5
81.03408	4.0
81.95846	0.4
85.02898	6.8
86.64631	0.4
91.01482	0.4
91.05475	0.4
97.02896	3.7
99.04417	0.4
103.03948	4.7
103.05444	0.7
107.01321	1.6
107.04960	0.9
109.02882	3.0
111.04420	0.5
115.05447	0.7
117.07043	0.4
119.04950	0.8
121.06483	0.9
123.04404	1.2
125.02372	2.7
127.03914	3.8
131.04907	1.9
133.02863	0.4
133.06427	0.5
135.04417	1.0
137.05984	1.1
139.03897	1.7
141.07007	0.7
143.03392	5.8
145.04976	0.6
145.06491	1.4
147.04427	1.1
149.05989	1.3
151.03874	0.5
153.01822	100.0
153.02895	5.4
153.05325	3.8
154.02155	2.7
159.04408	1.4
159.07979	0.4
161.06015	0.5
163.03877	1.9
165.05473	1.2
167.03389	1.0
167.07031	3.5
169.06465	0.8
171.02892	5.6
171.06522	0.9
171.07918	0.7
173.05972	1.7
176.04636	0.4
177.05446	5.2
179.03387	0.9
181.04947	3.8
183.06505	0.8
187.07599	0.7
189.05484	0.8
191.06999	2.1
193.05046	0.8
195.02832	2.5
195.06522	5.7
197.06013	1.3
201.05418	1.0
205.04947	1.0
207.06544	1.4
209.08054	0.4
213.03958	2.9
215.06978	0.9
219.02913	0.6
219.06477	4.0
233.08089	2.1
237.03952	1.0
237.07524	2.1
243.06558	1.1
249.07603	0.7
250.94489	0.4
255.05009	4.8
261.07568	12.2
262.07843	0.5
277.03506	0.4
279.08630	5.4
280.08936	0.5
297.06027	2.9
297.09299	0.7
306.03809	0.4
315.07123	3.7
322.03375	1.4
341.11111	0.6
361.06921	0.7
485.16830	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	485.1287
Annotation	AMINOPTERIN SODIUM
Peak:m/z	Relative Intensity
51.02380	1.1
53.03939	0.9
56.96559	5.5
57.03452	0.7
58.33763	0.6
67.05489	0.8
68.26979	0.6
69.03413	2.6
70.86216	1.3
71.95265	1.3
79.01850	4.3
80.80137	0.7
81.03408	6.9
85.02894	3.6
97.02885	6.7
98.97577	42.9
99.04453	0.9
103.03965	1.0
107.01301	1.7
109.02874	4.9
111.04431	1.0
116.98615	11.8
119.21400	0.7
125.02341	2.8
127.03890	5.9
128.98540	0.7
134.99626	0.9
135.04410	0.9
139.03831	0.9
143.00084	1.2
143.03394	5.3
153.01822	100.0
153.02882	5.2
154.02167	2.3
158.99614	3.6
163.03914	2.1
163.79764	0.8
171.02895	7.8
171.06511	1.9
177.00652	4.0
195.06464	1.0
205.28815	0.8
213.07602	1.5
219.01752	0.8
237.07745	1.0
245.08562	0.8
255.04964	1.6
261.07599	3.6
263.09564	7.0
279.08655	1.5
281.10562	6.7
297.06036	6.5
299.11667	1.3
305.10535	8.5
315.07199	2.1
323.11624	13.0
324.12170	0.8
341.12671	2.9
365.12637	6.9
425.14868	10.2
443.15698	3.6
485.16406	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	485.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.3
56.40759	0.5
56.57722	0.5
57.03434	0.8
61.02921	0.5
67.05505	0.6
69.03430	3.5
71.04985	0.6
71.11125	0.5
71.11463	0.8
79.01854	4.0
81.03419	8.0
83.04947	0.6
85.02895	4.4
87.48869	0.5
91.05447	0.6
97.02892	6.0
99.04456	1.2
101.12482	0.5
103.03913	0.9
106.03570	0.6
107.01320	2.3
109.02881	4.7
111.04456	1.0
125.02344	3.4
127.03914	6.9
127.05325	0.4
137.05981	1.6
139.03902	2.2
143.03410	5.2
145.04942	0.9
147.04414	0.6
153.01823	100.0
153.02879	5.0
154.02135	2.8
163.03943	0.8
171.02875	11.2
171.06555	1.4
172.03297	0.5
175.84952	0.5
193.49184	0.5
195.02843	0.5
215.15857	0.5
255.05077	1.2
261.07562	1.7
279.08566	1.1
297.06049	7.3
315.07101	4.1
485.16010	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1289
Annotation	AMINOPTERIN SODIUM
Peak:m/z	Relative Intensity
50.01599	0.3
51.02374	0.9
53.00294	0.3
53.03937	0.8
55.01867	0.7
57.03420	0.7
61.02864	0.3
67.05471	0.3
69.03429	2.8
70.06596	0.3
71.04996	0.5
71.20370	0.4
73.02925	0.3
73.13602	0.2
79.01852	4.4
79.05496	0.4
81.03416	7.7
81.07053	0.4
85.02905	3.5
91.05479	0.3
95.04959	0.3
96.02090	0.2
97.02885	6.0
98.03249	0.3
99.04448	1.0
103.03922	1.3
105.07036	0.3
105.70980	0.2
107.01306	1.9
107.04955	0.4
109.02180	0.4
109.02874	5.0
109.10175	0.4
111.04437	0.6
116.95587	0.2
116.98602	0.2
123.04432	0.4
123.38880	0.2
125.02354	2.9
127.03919	6.6
137.05952	0.4
139.03870	1.2
143.03389	5.8
143.04453	0.4
144.03680	0.3
145.04948	1.2
147.04391	0.3
153.01822	100.0
153.02879	5.0
154.02148	2.7
163.03914	0.7
167.03244	0.3
171.02879	10.8
171.06563	0.9
172.03204	0.3
173.02464	0.2
177.05466	0.3
181.04964	0.4
183.06590	0.3
191.07054	0.3
191.11485	0.2
195.02895	0.8
195.06566	0.4
205.04842	0.2
207.06535	0.3
213.03951	0.8
213.07555	0.4
218.05562	0.2
219.01677	0.2
233.07962	0.3
237.03998	0.3
237.07610	0.4
255.04999	2.1
261.07602	3.0
279.08740	0.8
297.06027	8.0
315.07095	4.1
315.10510	0.4
485.16550	3.1
486.19284	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73529	0.3
69.81861	1.2
74.19353	0.3
79.01715	0.3
81.03442	0.5
85.02918	0.6
95.87176	0.3
97.02895	0.4
104.26817	0.3
109.02854	0.4
123.04478	0.3
125.64565	0.3
126.08018	0.3
127.03928	0.5
130.08363	0.3
139.03879	0.4
153.01831	5.1
171.02795	0.4
179.03471	0.3
196.17374	0.3
203.05338	1.6
297.06100	0.5
319.10593	0.3
321.05630	0.4
322.08340	0.3
323.07617	0.6
323.11090	1.5
453.67603	0.3
485.16452	100.0
486.16815	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	485.2145
Annotation	Verrucarin J
Peak:m/z	Relative Intensity
50.77835	1.0
55.05472	1.1
66.11024	0.8
67.05498	1.9
68.75146	1.0
69.03397	0.9
71.00755	0.8
79.05463	2.4
81.07043	4.8
91.05464	2.4
93.07017	3.5
95.08607	4.9
105.07015	3.8
107.08572	3.1
109.10168	1.3
119.08573	5.3
121.10152	4.3
123.08013	1.3
123.11719	1.4
123.26321	0.9
131.08569	2.0
133.10100	2.6
135.11682	1.6
143.08508	1.2
145.10059	2.9
149.13327	1.2
157.10106	1.1
159.11719	2.0
161.13315	1.3
171.11630	1.8
173.13197	1.1
175.14763	2.8
185.13298	1.0
189.16357	1.9
190.06006	1.0
199.11078	1.1
201.16382	1.4
203.14368	1.2
213.16446	1.1
217.15831	1.0
226.01295	0.9
229.18011	1.1
231.06265	21.5
231.17747	0.9
233.07715	1.1
249.07336	100.0
250.07626	4.4
285.11121	1.3
291.19443	1.2
303.12045	12.3
339.09079	1.0
363.85434	1.1
415.17068	3.1
421.30823	2.1
439.20898	1.4
439.32379	1.9
441.22504	1.5
467.20444	45.2
467.31351	3.4
468.20544	3.4
485.21283	70.9
485.31689	9.5
486.21347	6.1
486.32300	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3262
Annotation	Liquoric acid
Peak:m/z	Relative Intensity
51.55535	1.0
53.03936	1.2
55.05512	6.2
57.07064	1.6
59.61592	1.1
62.11240	1.0
65.03944	1.8
67.05508	8.8
69.03419	1.8
69.07072	7.1
71.04999	2.8
79.05492	9.1
81.07052	15.4
83.04984	3.7
83.08629	3.6
85.06545	2.3
91.05476	10.1
93.07037	15.3
95.04978	1.4
95.08604	21.0
97.06547	3.1
97.10201	2.8
98.23369	1.9
105.07026	19.9
107.08595	19.9
109.06544	3.6
109.10171	13.6
111.08110	3.4
115.05548	1.4
117.07040	5.1
119.08580	29.0
121.06507	1.7
121.10157	17.8
123.08085	4.1
123.11735	5.3
125.09654	2.4
129.07022	1.7
131.08559	14.4
133.06523	1.5
133.10126	22.7
135.08083	3.9
135.11671	14.6
137.09668	3.2
139.11243	1.7
141.07117	1.3
143.08598	5.1
145.06526	1.3
145.10133	16.2
147.08061	3.1
147.11659	10.8
149.09613	2.7
149.13272	5.9
151.07567	1.8
151.11247	4.0
155.08577	3.2
155.72884	1.1
156.09398	1.6
157.10146	9.1
158.10854	1.8
159.08096	3.3
159.11690	8.9
161.06023	2.0
161.09631	2.6
161.13293	8.6
163.11218	2.2
163.14862	4.9
165.09081	1.3
165.12904	1.7
169.10187	3.8
170.10976	1.3
171.11707	10.0
173.09727	2.8
173.13264	12.1
175.07527	1.7
175.11249	4.1
175.14809	11.0
177.12854	2.2
179.14342	2.0
181.10204	1.3
183.11703	2.3
185.13318	5.5
187.11209	3.3
187.14842	13.3
189.12807	3.6
189.16403	20.4
191.14352	2.2
193.16020	2.4
195.11697	1.9
197.13333	5.6
199.11189	6.6
199.14854	4.8
201.12791	3.1
201.16457	4.3
203.14380	2.5
205.15866	2.9
207.17433	29.8
209.13293	3.0
211.14833	3.5
213.12833	6.7
213.16455	3.7
215.14342	10.5
215.17805	1.6
217.12283	4.8
217.15858	1.6
219.13890	1.7
223.14955	1.3
225.16414	4.1
227.14334	2.0
227.17917	1.7
229.15915	2.8
231.13849	2.1
233.15431	4.2
237.16527	1.5
239.17892	2.2
241.12149	1.5
241.15880	1.7
241.19635	1.5
243.17493	1.8
247.17079	1.4
255.17441	1.6
259.13303	19.7
261.14853	2.5
263.12885	5.3
269.19110	3.3
271.16794	1.6
275.20065	1.3
277.14426	3.9
297.18362	1.3
301.51978	1.2
317.22302	1.6
403.25140	1.8
403.30023	5.3
421.31372	5.7
431.29922	1.8
439.32257	14.7
449.30734	7.9
455.31589	1.4
457.33093	3.8
467.31949	15.3
468.32016	2.4
485.32709	100.0
486.33081	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	485.3262
Annotation	Lantanoic acid
Peak:m/z	Relative Intensity
50.06017	0.7
51.26992	0.6
53.03945	0.9
55.05500	3.9
57.07096	0.8
64.11409	0.6
67.05496	8.3
67.57681	0.6
67.59563	0.6
69.03428	1.4
69.07062	7.2
69.07455	1.0
69.07873	5.4
70.90273	0.6
71.04988	1.4
77.36670	0.6
79.05492	6.3
81.07050	10.5
83.04981	2.2
83.08609	3.8
85.06564	1.0
87.00396	0.6
91.05455	6.8
93.07035	10.0
93.07579	0.7
95.04972	1.6
95.08603	15.5
95.19701	0.6
96.06841	0.7
97.06547	1.5
97.10176	1.4
98.23521	0.8
99.04478	1.0
99.08092	0.7
102.42142	0.7
105.07020	15.7
106.07384	0.8
107.08579	14.3
107.09242	1.1
109.06514	2.4
109.10151	8.4
109.10782	0.8
110.10503	0.7
111.08096	2.6
113.05977	0.7
114.09719	0.6
117.07044	2.0
119.08576	17.3
119.09400	1.4
120.08913	0.7
121.06512	2.2
121.10125	9.3
123.08077	2.4
123.11674	3.3
125.09674	2.4
128.06242	1.1
129.07031	2.4
130.07770	1.0
131.08574	7.4
133.06505	0.9
133.10115	9.7
135.08058	2.4
135.11691	7.4
137.05983	0.8
137.09627	2.3
143.08546	4.5
144.09377	1.2
145.10097	9.3
147.08099	2.1
147.11681	6.6
149.09654	1.8
149.13271	3.4
149.39532	0.6
151.07593	1.4
151.11243	1.0
153.09073	0.8
155.08588	2.9
156.09375	1.1
157.10117	5.4
158.10893	2.2
159.08112	2.0
159.11662	5.9
160.12062	0.7
161.09555	3.1
161.13251	4.6
163.11212	2.4
163.14868	2.5
167.26094	0.7
169.10175	2.4
171.08130	1.1
171.11673	4.2
173.09631	2.7
173.13248	13.9
173.14720	0.8
174.13828	0.8
175.07524	0.7
175.11282	2.1
175.14801	8.0
177.09166	0.7
177.12785	1.1
177.16423	1.9
181.12218	0.8
182.10979	0.9
183.11610	3.6
185.09619	2.0
185.13251	5.0
187.11253	1.8
187.14807	8.5
189.11295	0.8
189.12796	2.4
189.16365	5.1
191.10652	0.7
191.14334	1.8
193.10185	0.9
193.16010	0.7
195.11768	0.9
197.13312	2.2
199.11208	1.4
199.14777	3.2
201.12790	1.8
201.16374	1.9
203.14360	2.4
203.18082	1.2
205.12241	0.8
205.15926	2.1
209.13297	1.8
209.15216	0.9
211.11261	1.0
211.14890	1.5
213.12782	3.5
213.16426	2.2
215.14388	3.0
215.18036	0.9
217.12242	0.9
217.15921	2.4
219.13768	1.1
221.13423	0.7
223.14894	1.1
225.16435	1.4
227.14343	2.4
227.17946	1.6
229.16005	2.1
229.19598	0.7
231.13814	2.7
231.17401	1.6
233.15436	2.5
235.17041	1.1
237.16541	1.1
239.14227	1.0
239.17891	1.5
241.19507	0.7
243.17668	1.1
249.14807	1.3
251.18112	0.9
253.19519	1.3
267.17639	0.9
269.19052	0.8
271.17001	0.9
285.18451	0.8
307.20782	1.0
313.21454	0.7
385.28680	0.7
393.31793	1.2
403.29990	2.9
409.30917	0.8
421.26999	0.7
421.31165	6.7
439.32507	4.9
449.30786	4.5
466.85666	0.7
467.31696	20.7
468.31906	2.5
485.32669	100.0
486.33023	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	485.3262
Annotation	Lantanoic acid
Peak:m/z	Relative Intensity
53.03943	0.5
55.05509	2.6
57.07074	0.6
67.05505	3.7
69.03418	0.5
69.07064	2.5
70.58472	0.7
71.04992	0.6
71.08641	0.4
76.52528	0.3
77.37726	0.3
79.05482	3.1
81.07057	5.7
83.04993	0.7
83.08617	1.1
85.06567	0.6
87.04459	0.5
91.05470	3.5
93.07044	5.5
95.04973	0.5
95.08604	8.9
97.06540	0.9
97.10178	0.9
105.07023	8.9
107.08595	6.7
109.06525	1.1
109.10159	4.4
111.08086	1.2
113.64558	0.3
117.07034	1.0
119.08580	11.9
119.09428	0.7
121.06525	0.7
121.10150	5.7
123.08089	1.5
123.11690	1.8
125.09647	1.0
128.06236	0.5
129.07024	0.7
130.07759	0.5
131.08563	4.9
133.06497	0.5
133.10130	6.8
134.10559	0.5
135.08054	1.5
135.11713	2.9
137.09628	0.7
137.13240	0.4
139.07526	0.4
141.06999	0.3
142.07829	0.5
143.08554	2.5
145.06526	0.6
145.10120	6.7
147.08034	0.9
147.11687	3.4
149.06003	0.4
149.09663	0.8
149.13231	1.9
151.07559	0.6
151.11136	0.4
155.08568	0.9
156.09436	0.5
157.10107	2.8
157.11118	0.3
158.10898	1.6
159.08049	1.1
159.11699	4.4
161.09634	2.1
161.13292	2.3
163.07623	0.5
163.11230	0.5
163.14853	1.4
169.10155	1.1
170.10995	0.9
171.08125	1.0
171.11641	2.2
173.09663	1.4
173.13254	9.6
174.13850	0.4
175.11243	1.5
175.14812	6.5
177.09062	0.4
177.12758	0.6
177.16434	1.2
181.10126	0.8
181.12245	0.3
182.10910	0.5
183.11646	1.8
183.28221	0.3
185.09578	0.8
185.13239	3.5
185.14561	0.4
187.11252	1.4
187.14809	4.0
188.15105	0.4
189.09204	0.3
189.11214	0.4
189.12762	1.5
189.16405	2.3
191.14281	0.8
195.11723	0.8
197.13283	1.6
198.10394	0.5
199.11160	0.5
199.14848	2.6
201.12758	1.1
201.16447	1.1
203.14336	1.2
203.18053	0.4
205.15886	0.6
209.13301	1.0
211.11182	0.4
211.14832	1.4
213.12764	2.9
213.16393	0.9
215.14340	2.3
215.17973	0.4
217.12302	0.4
217.15926	1.3
219.13809	0.5
221.13315	0.7
221.15439	0.5
223.14915	0.4
225.12837	0.4
225.16435	1.1
227.14333	1.7
227.17969	1.2
229.15921	1.1
231.13818	1.2
231.17381	0.8
233.13358	0.5
233.15323	1.6
237.16379	0.6
239.14288	0.4
239.17969	0.8
241.15997	0.6
241.19505	0.7
243.17395	0.7
249.14793	0.7
251.18013	0.4
255.17535	0.7
257.19086	0.4
263.17999	0.6
273.18524	0.5
281.19019	0.9
289.17981	0.5
299.20102	0.4
307.20575	1.0
307.24469	0.4
309.22052	0.4
319.20834	0.5
325.21793	0.4
329.22049	0.4
333.22018	0.6
361.29129	0.4
385.28699	0.9
393.31647	0.9
403.30026	2.9
421.31213	4.2
431.29587	0.7
439.32376	4.1
449.30524	2.9
467.31653	14.7
468.31955	1.5
485.32617	100.0
486.32950	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	485.3264
Annotation	Liquoric acid
Peak:m/z	Relative Intensity
54.41135	0.6
55.01873	0.6
55.05513	3.6
57.07088	0.8
67.05504	5.6
69.07071	3.3
69.95242	0.5
70.57675	1.1
70.57990	0.7
72.56368	0.5
79.05504	4.8
81.07057	7.4
82.89544	0.5
82.93673	0.5
83.08620	2.5
85.06579	0.7
87.04472	0.6
91.05485	4.6
93.07043	7.5
95.04955	1.6
95.08607	11.1
97.06544	1.2
97.10159	2.3
105.07027	9.1
107.08588	8.9
109.06491	1.2
109.10153	5.9
111.08076	1.2
115.96465	0.6
117.07029	2.2
117.13593	0.6
119.08582	13.0
121.06517	1.1
121.10133	8.5
123.08064	1.6
123.11725	1.5
125.09643	1.5
128.06158	0.7
129.06949	0.7
131.08586	4.8
133.10120	8.5
135.08057	2.2
135.11682	3.8
137.09636	0.9
143.08565	2.8
144.09354	0.7
145.10127	8.2
147.08049	1.9
147.11682	5.5
149.09636	1.8
149.13278	1.9
153.09091	1.0
155.08594	1.2
156.09369	1.3
157.10153	5.1
159.08064	0.8
159.11687	5.4
161.09645	1.6
161.13300	3.4
163.07584	0.7
163.11186	1.4
163.14838	1.8
169.10123	1.9
170.10890	0.8
171.11740	2.5
172.12701	0.7
173.09631	1.5
173.13257	5.7
175.11255	1.1
175.14818	3.6
177.16367	0.8
181.10118	1.0
183.11684	1.5
185.09685	1.0
185.13220	3.9
187.11150	1.1
187.14847	5.3
189.11328	1.2
189.12759	1.4
189.16393	2.5
191.14310	1.7
195.11745	1.7
196.12466	0.8
197.13239	2.7
199.14844	2.6
201.09019	0.6
201.12758	1.1
201.16405	2.0
203.14355	1.0
207.11749	0.9
209.13316	1.6
211.14789	2.3
213.12799	1.9
213.16380	1.6
215.14319	1.4
217.15808	1.2
219.13792	2.5
221.13354	1.1
223.14847	1.3
223.16968	0.6
225.16507	1.0
227.14438	0.6
227.18054	1.9
229.15910	2.8
229.19521	0.7
235.84628	0.6
237.16493	1.1
239.17969	1.1
241.15973	0.6
241.19553	0.9
243.14055	0.7
251.17993	0.8
253.19511	0.7
255.17479	0.8
263.17883	1.5
265.15884	0.6
267.17358	0.7
277.19269	0.7
279.23264	3.4
287.20279	0.6
289.19669	0.6
295.16977	1.7
295.20212	0.6
297.18652	0.8
297.24280	2.0
307.20657	1.0
325.21484	0.9
333.60861	0.6
351.27155	1.1
375.30469	0.6
385.28909	0.9
391.26340	0.9
397.27527	1.9
403.30133	2.1
421.31042	5.9
422.31442	1.0
431.30182	1.7
439.32144	2.7
449.30389	3.5
467.31580	100.0
468.31906	11.2
485.32703	14.4
486.32825	1.9
486.92029	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.3
55.01861	6.7
55.05513	63.7
57.03441	4.0
57.07075	7.4
64.59805	1.9
64.98879	2.2
65.03933	4.0
67.05504	80.7
67.05872	3.9
69.03427	7.1
69.07066	48.2
71.04985	8.6
71.31839	2.4
73.06541	2.8
79.05489	60.1
81.07056	86.9
82.07394	3.0
82.94046	1.8
83.04972	9.7
83.08618	38.3
85.06554	6.1
87.04471	2.3
88.07611	2.0
91.05474	32.1
93.07040	75.3
95.04960	7.4
95.08607	79.1
95.09225	4.0
96.08955	2.8
97.06535	11.1
97.10168	58.3
97.10753	4.1
99.08069	2.8
105.07030	30.8
107.04946	2.9
107.08594	64.3
108.08970	1.9
109.06506	7.1
109.10159	46.2
110.10502	2.2
111.08065	8.0
111.11729	5.1
111.68233	2.6
115.05437	2.9
117.07037	10.4
119.08582	45.6
121.06507	4.1
121.10146	55.0
123.08054	8.1
123.11709	14.8
125.09631	49.1
127.11200	2.8
128.06245	2.4
129.06982	2.8
131.08566	18.6
133.06458	3.6
133.10139	30.1
135.08064	8.6
135.11690	44.2
137.09598	8.2
137.13268	7.4
139.11188	8.5
143.08525	7.4
143.10684	3.8
145.10121	18.0
147.11690	22.2
149.09619	9.5
149.13225	14.7
151.11198	7.1
153.09094	20.4
155.08501	2.7
156.09372	2.2
157.10136	9.2
159.11693	15.1
161.09608	5.7
161.13248	18.3
163.11180	3.8
163.14821	9.8
165.12794	6.0
167.10635	7.0
168.50873	2.2
169.10168	2.7
169.12204	2.5
171.10175	5.0
171.11681	8.6
173.09587	3.0
173.11800	3.6
173.13165	14.3
175.11180	2.5
175.14815	17.1
177.12784	6.1
177.16391	5.7
179.14322	5.4
183.11635	3.3
185.13272	7.7
187.11209	3.7
187.13235	3.7
187.14853	7.6
189.11220	36.4
189.12778	4.8
189.16441	10.6
191.10602	2.3
191.14288	3.1
191.17981	2.8
197.13257	4.5
199.11171	3.0
199.14879	5.1
201.12802	4.9
201.16440	3.8
203.14363	4.9
203.17958	5.2
205.08795	2.3
205.15858	2.2
207.13794	6.9
211.14839	2.9
213.16396	3.5
215.14243	3.9
217.15849	4.9
221.13409	2.7
221.15387	3.9
223.16994	2.4
227.14368	2.7
235.13304	5.0
239.17915	2.4
243.21043	5.5
247.20616	4.4
249.14836	8.0
257.19110	4.8
261.22104	20.9
265.21793	4.3
275.19928	16.3
277.21677	6.0
279.23187	100.0
280.23480	6.8
285.06540	2.6
293.21094	35.7
295.22629	7.7
297.24268	67.9
298.24615	7.1
311.22299	6.1
333.17136	2.3
351.18146	3.8
370.77161	2.2
413.30463	9.4
421.30991	10.1
431.31628	34.2
432.32095	2.4
439.32401	12.3
441.17487	2.1
449.32819	20.2
467.31900	14.8
485.19516	2.6
485.32346	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	485.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84967	2.0
53.03952	3.6
55.01870	7.3
55.05511	67.0
57.03433	3.6
57.07067	6.8
59.04988	2.6
65.03938	2.9
67.05505	80.0
69.03434	8.5
69.07066	39.8
69.07406	3.9
71.04991	7.8
79.05493	42.9
81.07056	94.6
83.04970	11.2
83.08617	44.4
85.06536	6.8
91.05482	25.4
93.07047	49.6
95.04981	6.1
95.08607	84.5
97.06544	11.3
97.10170	63.6
99.08123	3.0
105.07036	28.3
107.08599	51.6
107.09303	1.9
109.06537	3.4
109.10156	39.7
111.08092	9.4
111.11727	3.5
117.07030	7.8
119.08576	38.4
121.06535	3.2
121.10140	36.6
123.08069	6.6
123.11700	18.5
125.09630	51.4
129.06987	4.0
131.08572	17.3
133.10123	33.1
135.08057	10.0
135.11693	26.0
137.06015	2.4
137.09607	6.7
137.13245	8.2
139.11218	3.9
143.08539	7.9
145.10141	21.9
147.08083	4.8
147.11673	21.7
149.09592	6.5
149.13249	13.7
153.09106	17.1
155.08595	3.2
155.10701	2.7
157.10159	10.8
159.08023	2.3
159.11688	24.8
161.09608	4.0
161.13174	15.2
163.11186	5.2
163.14812	10.0
165.12749	4.5
169.10153	2.8
171.10173	5.0
171.11656	5.2
173.11887	2.9
173.13220	15.0
175.11168	3.9
175.14847	14.6
177.09126	2.6
177.12686	7.4
177.16382	2.3
179.14319	5.5
183.11670	6.5
185.13275	8.5
187.14857	17.2
189.11223	51.0
189.12766	2.9
189.16414	8.0
191.14389	4.7
199.14803	4.8
201.16370	5.7
203.14377	4.0
203.18050	2.9
205.15880	2.6
207.13808	4.5
209.13297	2.7
209.15395	5.0
211.14810	2.6
213.16444	4.5
215.14383	2.7
215.18004	3.7
217.15906	7.8
225.16460	3.3
227.17993	2.9
229.16016	3.1
235.16907	4.6
235.61145	2.6
236.15540	2.6
236.67999	2.1
243.21136	9.4
245.15302	2.8
247.17119	2.9
249.14795	4.8
261.22131	23.8
265.21725	3.0
267.17447	2.6
275.20068	3.6
279.23199	100.0
280.23535	6.3
293.21048	2.8
297.24249	52.2
298.24802	3.0
313.27368	2.7
319.40298	2.3
395.29541	3.9
413.30399	8.8
419.22733	2.5
421.30954	10.3
423.32425	2.7
431.31516	30.4
432.31912	3.0
439.32065	20.8
449.32538	19.0
450.32645	2.9
467.32144	14.4
485.19461	10.2
485.32895	47.8
486.33020	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	485.3602
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19480	0.4
57.07080	2.5
67.05505	0.9
68.26753	0.5
69.07069	1.2
69.19746	4.1
70.06591	1.9
71.08636	1.7
79.03106	0.5
81.07054	1.4
87.04471	0.8
88.07635	2.3
93.07056	0.9
95.08627	1.2
102.09203	1.7
105.07056	0.6
107.08635	0.6
109.10184	0.9
119.08578	0.6
133.10051	0.7
135.08058	0.5
139.60287	0.6
159.46570	0.6
200.20091	1.5
201.20409	0.6
228.23318	2.4
229.23573	1.7
231.10144	0.8
256.26361	0.8
283.26346	2.0
284.26727	2.6
311.29501	1.0
312.29825	1.3
388.42075	0.6
484.47290	1.8
485.36023	100.0
485.46558	11.8
486.36343	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	485.42
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	79.5
57.07071	63.4
67.05495	50.2
69.01750	7.4
69.07058	93.4
69.65098	22.7
69.65511	30.0
70.06590	11.9
71.08616	27.4
79.05499	45.9
81.07054	99.1
82.81451	10.0
83.05002	13.2
83.08621	39.3
85.06493	8.9
85.10189	15.3
87.04466	39.1
88.38702	8.7
91.05466	14.3
93.07047	60.2
95.08602	70.4
97.06512	26.5
97.10149	45.6
98.22565	9.2
99.69796	8.1
107.08578	32.3
109.10175	34.9
111.11705	19.7
119.08577	9.2
121.10136	61.3
123.11729	13.4
125.09563	9.4
135.11694	27.7
139.11157	100.0
149.13234	14.9
157.12213	22.8
163.14873	16.0
228.23180	13.0
275.27405	12.9
283.26376	15.3
293.28378	66.9
311.29379	26.0
361.26971	9.3
431.38739	28.8
449.39804	53.6
485.47534	95.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41557	0.6
53.03931	1.1
55.01853	0.6
61.65348	0.6
69.03428	3.3
69.56888	3.8
74.81718	0.6
79.01866	3.0
81.03409	9.6
85.02881	2.9
96.61834	0.6
97.02882	7.0
97.16111	0.6
97.88153	0.6
99.00792	0.6
99.04460	1.1
107.01292	1.9
109.02867	5.8
123.04402	2.5
125.02335	2.4
127.03912	10.0
128.04214	0.8
137.05946	1.1
139.03880	1.6
143.03380	4.8
145.04967	2.7
147.04410	0.8
153.01816	100.0
153.02864	4.5
154.02132	7.2
171.02861	14.5
180.41650	0.6
185.05945	0.8
250.53668	0.7
271.47342	0.7
297.06046	11.6
297.94501	0.8
298.06293	1.2
315.07028	8.4
324.11557	0.7
337.25790	0.7
486.36264	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09348	1.4
56.79800	1.3
69.03427	4.0
70.90876	3.1
72.08137	1.5
79.01853	2.6
79.05466	2.1
81.03415	8.9
81.07026	1.5
85.02923	3.9
86.09706	2.7
91.05485	3.4
95.04954	1.9
97.02902	5.8
98.06078	2.0
109.02886	4.4
119.04941	4.4
120.78972	1.5
123.04433	16.1
125.02422	3.5
127.03941	9.5
127.80704	1.5
135.04491	1.4
137.02388	1.8
137.05975	11.1
139.03905	6.1
143.01657	1.6
143.03400	5.9
147.04413	5.8
153.01826	100.0
153.02856	3.7
154.02158	4.7
161.05997	1.6
163.03935	7.2
165.05505	3.0
171.02905	12.2
175.07535	2.1
177.05383	1.9
179.07047	2.2
183.06505	3.2
184.07370	2.3
203.07045	1.6
229.99265	1.8
245.08282	1.7
297.06024	9.2
315.07056	12.0
366.11362	1.7
486.19354	1.4
487.12558	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	486.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.0
55.05511	3.5
57.03440	6.1
67.05525	2.2
69.03431	8.5
69.22202	17.8
69.22610	4.3
75.04488	10.8
79.05489	18.1
81.03422	9.3
81.07059	6.6
85.02912	8.4
89.45418	2.2
91.05492	16.0
93.07046	100.0
94.07355	2.8
95.04976	3.8
95.08629	5.3
97.02898	9.2
97.06565	2.2
98.78979	2.1
99.04443	5.0
103.05507	3.2
105.07041	8.9
107.08593	17.8
109.02895	3.4
111.08096	6.9
117.07047	3.4
119.08584	10.7
121.06584	2.6
121.10142	97.4
122.10476	2.8
123.11732	2.7
125.06008	3.0
127.03967	3.5
131.08554	5.7
139.11189	4.5
145.04991	3.4
145.10016	2.8
149.09624	18.6
153.05470	16.0
163.45343	2.3
164.23160	2.5
167.10663	30.5
177.05527	2.8
191.07019	2.6
222.43129	2.2
222.51991	2.4
231.06744	2.6
293.13770	4.8
311.14981	7.5
329.16119	4.0
356.38803	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	486.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.4
55.01863	1.4
55.05512	8.0
57.03429	1.3
57.07064	1.3
65.03924	1.5
67.05498	15.9
69.03436	1.4
69.07073	11.6
79.05492	12.2
81.07054	21.5
82.07352	1.6
83.04978	2.1
83.08614	5.9
85.06516	1.7
88.31691	1.3
91.05470	11.0
93.07043	21.7
94.07381	1.4
95.04971	4.3
95.08604	24.9
96.08919	1.9
97.06532	4.4
97.10186	2.9
99.04530	1.2
103.05477	1.7
104.43425	1.1
105.07009	19.1
106.07360	2.2
107.08579	22.9
107.09263	1.7
108.08945	1.7
109.06519	3.9
109.10141	19.6
110.10511	2.1
111.08106	4.0
117.07024	4.3
119.08573	25.5
120.08956	2.2
121.06537	2.7
121.10143	25.4
122.10500	2.8
123.08049	4.0
123.11694	11.6
125.09653	2.8
128.06310	1.6
129.07059	3.1
131.04922	1.3
131.08582	8.4
133.06526	1.4
133.10141	19.4
134.10484	2.4
135.08040	3.1
135.11697	17.9
137.09648	4.9
137.13223	2.4
139.11163	2.4
141.07039	2.2
142.07755	1.8
143.08548	5.7
145.10126	17.0
146.10509	2.2
147.08032	3.2
147.11674	9.9
149.09607	7.4
149.13223	7.0
151.11147	1.8
153.09087	1.3
153.12776	1.7
155.08583	2.4
157.10165	8.7
159.08037	1.2
159.11671	11.4
161.09628	6.7
161.13246	7.0
163.11183	8.5
163.14825	5.8
169.10117	3.3
171.11682	8.4
172.12054	1.9
173.09605	3.0
173.13272	8.6
174.13647	1.7
175.11247	2.7
175.14804	9.1
176.15128	3.3
177.12767	1.6
177.16357	1.6
178.16701	1.6
183.11697	5.2
185.09547	1.5
185.13217	6.8
186.13516	1.7
187.11191	4.6
187.14819	10.3
189.12750	4.0
189.16353	6.5
191.17953	1.7
193.15822	1.7
195.11705	3.1
197.13313	4.6
199.11235	3.8
199.14850	3.9
199.75742	1.3
200.15169	1.8
201.12759	8.5
201.16354	4.2
203.14331	4.2
203.17975	2.1
204.14731	1.9
207.11728	1.3
207.17485	2.1
209.13293	2.8
211.14752	3.8
213.16341	2.8
215.14355	5.0
215.17934	2.4
216.14618	1.5
217.15907	2.6
219.17441	1.3
223.14891	2.0
225.16344	2.5
227.17961	3.5
230.38286	1.3
231.06244	2.3
235.16980	1.7
239.17926	3.2
241.19450	2.8
243.21080	7.1
249.07352	11.4
249.18463	1.4
250.07788	6.7
251.18098	1.8
255.21156	1.6
259.20599	2.1
261.22134	4.3
269.19186	3.2
269.22556	3.6
277.21704	1.8
279.23334	2.5
283.20490	4.4
365.13718	1.5
365.28622	1.8
387.30362	2.8
405.31573	27.5
406.31836	2.3
422.31259	3.8
423.32581	100.0
424.32953	12.0
438.30365	1.6
440.32611	6.8
441.29398	7.0
442.30499	2.6
450.30994	1.9
451.32275	3.9
468.21051	8.2
468.31851	5.5
469.21439	1.5
469.28421	1.6
469.33731	1.9
486.21600	8.4
486.25729	6.6
486.32449	21.3
487.34818	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	486.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	0.9
55.05510	5.4
57.03436	6.4
57.07034	1.6
58.06598	30.4
58.06863	1.3
59.07382	9.1
59.11100	0.6
60.08165	8.1
66.54160	0.5
67.05499	8.0
69.07069	6.5
69.44511	4.0
71.04979	0.7
72.00047	0.6
73.02886	1.1
75.04485	4.0
75.05907	0.5
79.05489	5.1
81.07050	7.1
83.08612	3.1
84.08113	0.9
84.08904	1.0
85.02859	2.0
87.04456	5.7
91.05466	3.9
93.07038	5.5
95.04907	1.3
95.08596	8.5
96.08928	0.7
97.06491	1.2
97.10131	1.6
105.07030	4.1
105.07599	0.8
107.08596	6.7
108.08905	1.0
109.06497	1.1
109.10160	3.1
111.08076	1.0
113.05955	1.0
119.08593	4.0
121.06462	0.9
121.10132	4.1
122.10476	0.9
123.08048	0.8
125.09563	0.7
129.06958	0.8
131.06993	1.9
131.08546	1.2
132.08870	0.6
133.10068	2.7
135.08064	1.3
135.11674	2.3
137.09596	0.9
139.11221	0.6
141.73448	0.6
143.08527	1.3
143.62354	0.7
144.10191	8.1
145.10086	2.2
147.07968	0.5
147.11642	1.8
149.09564	0.9
149.13202	1.3
155.20618	0.6
157.10016	0.8
159.08055	0.6
159.11661	1.9
160.11913	0.7
161.13216	2.7
162.11252	4.2
163.14732	1.0
167.14304	0.6
171.11688	1.4
173.13220	1.6
175.14799	1.6
179.14304	0.7
185.13341	0.8
187.14812	1.9
189.16318	0.9
207.13702	0.6
231.13834	1.2
232.14159	1.3
236.14917	100.0
237.15231	3.2
249.14755	0.9
259.20679	1.1
335.35974	0.6
362.95364	0.7
422.31534	1.1
423.32651	1.3
424.38217	0.8
426.30554	0.6
439.86978	0.7
440.32257	1.4
441.33569	0.8
451.32059	1.0
468.31619	1.4
468.36957	23.0
469.32922	2.2
469.38388	1.1
486.37964	60.5
487.32074	1.0
487.38458	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	486.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	13.9
56.64762	2.3
57.07074	7.2
59.04991	4.4
65.03921	2.4
67.05502	100.0
69.07064	18.2
69.19933	6.0
69.20334	17.4
71.04974	4.3
79.05489	17.7
81.07050	49.8
83.04974	4.2
83.08612	11.6
85.06509	3.5
87.04487	4.6
91.05461	15.8
93.07037	22.3
95.08602	34.9
96.60129	2.3
97.06582	3.7
97.10172	3.0
98.23402	2.9
99.08043	2.5
103.79801	2.6
105.07030	11.9
107.08589	14.8
109.06512	5.7
109.10152	79.7
111.08060	6.0
117.07052	4.0
119.08577	18.9
121.10155	14.9
123.11698	8.7
131.08582	4.8
133.10138	8.3
135.08066	4.0
135.11702	12.0
137.09650	6.7
137.13235	2.9
143.08569	2.9
145.10158	5.4
147.11690	10.5
149.09604	2.9
149.13274	6.8
155.10683	8.0
157.10104	3.7
159.11684	7.2
161.13298	7.1
163.14815	3.4
173.11754	38.1
173.13231	4.5
174.12128	3.2
179.72188	2.2
187.14909	3.9
189.16290	3.1
217.33839	2.4
243.21005	5.5
244.21654	2.3
261.22040	11.5
279.23233	24.3
297.24222	7.5
415.32303	6.6
431.15411	2.7
433.33258	11.5
486.32776	3.4
487.29205	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	486.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56911	1.2
55.05512	8.0
57.07057	1.5
62.06089	100.0
67.05506	18.4
69.06698	2.5
69.07063	35.1
69.14253	12.1
71.04996	1.6
78.18227	1.3
79.05483	10.7
81.07059	24.3
83.08614	5.6
85.06517	2.0
87.04465	26.1
91.05478	10.2
93.07043	15.7
95.04977	1.5
95.08604	23.1
97.06518	4.7
97.10129	2.0
98.06026	3.0
99.08095	2.7
105.07017	9.8
107.08585	25.2
107.09251	2.2
109.06506	2.3
109.10150	20.3
111.08052	1.7
117.07002	2.3
119.08587	19.6
120.08919	1.4
121.06531	1.4
121.10138	17.9
123.08054	2.7
123.11694	5.9
125.09592	1.7
127.07588	1.6
131.08578	5.0
133.10124	14.0
135.08026	4.5
135.11694	9.0
137.09651	2.0
140.10690	13.6
141.09088	3.4
141.34755	1.4
144.10199	3.6
145.10126	16.9
147.11647	10.5
149.09624	2.5
149.13243	4.7
150.95578	1.9
151.11165	1.5
155.10669	1.7
157.10165	3.0
158.11760	78.0
159.11664	17.8
161.09532	1.5
161.13239	6.6
163.11191	3.8
163.14763	3.8
171.11678	1.5
172.13322	8.3
173.11774	4.0
173.13281	6.3
175.11168	1.5
175.14833	5.0
177.12737	3.7
177.16406	2.1
178.23079	1.4
187.14803	20.6
188.15152	2.1
189.16350	8.9
191.14291	2.9
197.13170	1.6
199.14673	1.7
199.79698	1.5
201.16447	8.8
203.17998	4.0
205.15872	8.2
213.16409	2.7
215.18040	2.2
217.15887	1.5
219.17444	8.5
233.18999	1.9
252.19574	1.5
254.20959	1.4
266.21204	2.4
268.22565	3.4
278.21216	3.3
279.23126	2.1
280.22681	2.7
351.42981	1.3
407.32999	4.8
423.32590	1.7
425.34097	3.7
440.32507	1.6
441.33472	1.9
444.38461	1.8
468.38370	49.0
469.38699	3.5
486.33099	3.8
486.39343	79.0
487.39581	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	487.1385
Annotation	Parvifolol C
Peak:m/z	Relative Intensity
50.01585	0.7
51.02369	1.3
53.03928	1.7
55.01865	1.6
65.03920	0.8
67.05495	1.7
68.99792	3.2
69.27768	1.5
69.28180	2.4
70.07409	0.5
71.01328	0.6
77.03924	2.2
81.03412	2.3
91.05470	3.1
95.04970	2.3
98.23313	1.2
100.44916	0.6
105.03401	4.5
105.04506	0.6
105.07043	0.5
107.04958	2.9
107.08606	0.6
109.02849	0.6
115.05461	2.0
117.06973	0.8
119.04950	0.9
119.08596	0.6
123.04426	100.0
124.04739	2.6
127.03901	4.3
128.06247	0.6
129.07002	1.9
131.05019	0.5
131.08549	0.6
132.73663	0.6
133.02855	4.1
135.04413	3.9
137.02338	16.3
137.05981	5.2
139.05402	2.9
141.06985	4.0
143.08496	0.5
145.06563	0.7
145.10123	0.9
147.04379	1.5
153.07002	1.5
157.06519	3.3
161.05974	0.7
163.03934	1.1
165.07016	2.4
167.04869	2.5
168.05682	1.0
169.06485	7.1
170.07002	0.6
171.04422	1.6
173.05965	3.5
181.06422	2.8
183.08052	0.8
184.05209	0.7
185.05966	14.2
187.07603	0.7
193.06532	1.8
195.04410	1.0
197.05965	13.3
198.06693	2.5
199.07603	1.4
209.05850	0.7
211.07542	2.8
213.05455	10.9
214.06148	0.6
215.06944	2.9
221.06009	3.4
223.07564	0.8
225.05441	4.4
226.06230	2.3
227.06963	3.1
231.06506	43.5
232.06912	1.7
235.07501	1.1
237.05338	0.9
239.06839	4.3
241.04948	5.7
242.05518	0.8
243.06375	8.2
244.07204	3.1
245.07933	1.0
247.07631	0.8
249.05492	2.3
250.06203	1.8
253.04948	5.5
254.05711	1.7
255.06488	35.8
256.06885	2.0
261.09152	1.7
267.06491	13.7
268.07300	2.2
271.07578	1.8
273.09253	0.9
285.09229	1.5
289.08582	1.5
290.18921	0.6
293.07965	0.8
295.07413	1.1
299.07031	1.2
300.07776	0.8
303.10147	1.2
307.09457	0.9
313.08554	3.8
314.09109	0.7
316.07233	0.9
317.08047	1.9
318.08682	0.6
328.07214	0.6
329.08121	1.6
331.09457	3.3
333.07571	0.6
335.09436	0.9
341.08185	0.7
345.07581	5.5
346.07986	1.3
347.09091	1.9
349.10638	2.2
359.09213	6.5
363.08649	7.3
364.09317	5.7
365.10239	8.1
377.10159	33.8
378.10532	2.1
469.13055	1.8
487.13785	11.0
487.41797	0.6
488.13950	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	4.1
55.05514	6.6
58.61765	1.4
65.03943	1.7
67.05502	6.3
68.99786	6.5
69.03436	1.8
69.07067	5.7
71.04947	2.2
79.05494	7.0
81.03418	4.5
81.07061	15.5
83.04967	3.8
83.08607	3.8
85.02900	1.8
85.06547	1.5
91.05479	13.6
93.07044	16.1
95.04974	4.3
95.08601	18.7
97.06533	2.4
103.05473	6.0
105.03385	7.5
105.07040	20.1
107.04966	10.7
107.08582	21.0
109.02809	2.1
109.06525	4.0
109.10130	11.0
111.04402	2.5
111.08082	3.9
115.05435	9.0
117.07024	7.1
119.08579	37.4
121.06505	2.8
121.10140	16.6
123.04416	19.8
123.08144	1.7
123.11733	2.7
125.09666	2.4
128.06216	4.7
129.07043	7.0
130.07756	2.7
131.04904	3.5
131.08563	16.4
133.02850	24.8
133.10126	29.6
134.03574	1.9
135.04425	5.0
135.08075	3.9
135.11696	5.2
137.02325	11.3
137.06013	5.7
137.09648	3.0
141.06979	36.5
141.08047	3.0
142.07716	1.6
143.08557	6.5
145.06506	8.1
145.10112	25.4
147.04410	4.0
147.08057	4.5
147.11702	11.0
149.06012	2.2
149.09622	2.5
149.13284	6.7
151.03893	2.7
151.07588	2.1
152.06226	4.1
153.07014	6.4
155.04912	4.3
155.08571	2.7
157.06459	9.3
157.10138	10.1
159.08064	4.1
159.11662	18.8
161.05998	3.2
161.09651	3.1
161.13222	9.1
163.07506	2.8
163.11215	1.8
163.14841	6.7
164.08345	6.1
165.07080	2.5
165.09053	1.9
167.04922	1.8
167.07124	1.6
168.05687	4.0
169.06485	54.2
170.10811	2.2
171.08060	3.6
171.11707	6.6
173.05975	22.3
173.13251	14.2
175.11217	3.0
175.14784	11.4
177.12811	1.8
177.16333	7.7
179.14368	1.6
181.06461	16.9
183.11685	3.6
185.05965	15.0
185.13283	5.4
187.03906	2.3
187.07578	11.3
187.11212	2.0
187.14790	25.5
189.05336	2.3
189.12769	2.3
189.16371	17.8
191.14284	10.6
191.17960	3.6
195.11781	1.9
197.05969	100.0
197.13277	3.0
198.06473	13.3
199.07500	7.5
199.14754	7.9
201.05521	5.9
201.12700	1.8
201.16371	20.7
203.14392	4.1
203.17992	8.5
205.04662	3.5
205.15883	12.5
209.06058	4.6
209.15396	3.2
211.14900	1.7
212.13570	1.6
213.05479	12.6
213.16342	4.9
215.07024	42.1
215.18085	4.5
216.07408	3.2
217.15889	11.4
219.17526	2.6
221.15390	3.1
225.05452	58.0
226.05994	7.7
227.07011	11.0
229.15860	2.5
229.19409	1.8
231.06467	17.0
231.17276	2.5
235.16853	7.8
241.04988	6.8
243.06517	99.2
244.07246	32.3
245.07965	18.2
247.16963	5.4
255.06465	21.2
255.08557	1.7
256.06750	1.7
259.06058	6.9
261.18491	2.6
267.06430	4.0
268.07272	3.2
283.09650	6.8
291.09952	1.8
307.09540	2.5
317.08411	2.0
325.10623	14.6
345.07410	2.2
363.08694	21.7
364.09308	6.2
377.10251	19.9
393.31448	7.2
405.31442	9.4
421.30994	3.2
423.32553	5.8
433.31189	3.3
441.33591	4.7
451.32104	7.0
469.13800	2.2
469.33899	3.0
487.13644	11.5
487.21143	2.2
487.29126	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	487.1575
Annotation	SCHEMBL3187706
Peak:m/z	Relative Intensity
55.01893	0.3
69.03431	0.4
81.03399	0.6
81.07051	0.3
84.55158	0.3
85.02927	0.4
93.07066	0.5
95.08589	0.4
98.22577	0.5
127.03912	0.4
131.04916	0.3
137.05981	0.7
161.05934	0.4
163.07651	0.4
164.08426	0.4
185.04208	1.4
207.13882	0.4
229.25481	0.4
253.61067	0.3
307.09360	0.3
321.43103	0.3
325.10510	5.4
325.14063	0.5
326.10950	0.5
339.11313	0.3
487.15729	100.0
488.16052	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	487.1571
Annotation	SCHEMBL3187706
Peak:m/z	Relative Intensity
50.76913	0.7
54.24044	0.8
54.71542	0.6
62.06540	0.6
70.10529	2.0
82.50299	0.6
107.08649	0.8
123.04446	2.6
127.04001	0.8
127.39426	0.6
135.08049	2.1
137.06017	1.8
138.20511	0.7
139.03918	1.4
142.94217	0.7
147.04446	1.0
152.39130	0.6
153.01825	2.8
154.02194	1.2
155.02225	0.8
163.03896	0.8
163.07590	1.0
181.08632	1.5
193.05090	0.9
195.83246	0.7
325.00183	0.7
487.15723	100.0
488.16269	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	487.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13118	0.4
52.64360	0.3
57.36395	0.4
69.03432	0.4
69.85669	1.0
69.86087	0.8
70.06560	0.4
79.05505	0.4
83.01112	1.1
85.02906	0.9
86.09693	0.4
95.01096	2.2
96.01890	0.7
108.06013	0.4
112.01326	0.6
113.02119	3.2
121.10151	0.4
123.04437	1.5
124.04841	0.4
126.02913	0.4
127.03863	0.5
129.05467	0.5
141.01624	0.6
144.24846	0.5
147.04413	0.8
153.01843	0.6
155.03391	3.1
156.03741	1.0
157.04758	0.8
163.03915	0.7
167.03201	0.5
167.07076	0.4
182.05513	0.4
185.04204	4.2
189.05220	12.8
190.05521	0.7
198.19324	0.4
201.03725	1.1
203.05302	1.0
205.04732	1.4
235.05836	1.2
250.08109	12.0
251.08855	0.9
257.99521	0.4
259.07932	2.5
293.09991	1.1
307.08301	0.6
308.08441	0.8
325.12958	0.6
395.13116	1.2
456.16138	0.5
457.16989	2.6
461.29129	0.5
487.17844	100.0
488.18167	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	487.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06538	0.6
70.19390	0.5
71.33176	0.8
76.68022	0.5
83.01086	1.2
95.01093	2.1
96.01878	0.8
112.01325	1.3
113.02118	3.0
123.04426	1.9
132.62918	0.4
139.03824	0.7
141.01625	0.6
153.01860	1.4
185.04214	4.9
201.03725	1.2
202.05013	0.4
203.05290	1.1
205.04720	13.7
214.90750	0.5
250.08124	9.1
251.08768	1.0
259.07904	2.2
261.43912	0.5
293.10043	1.2
380.04868	0.5
383.13251	1.2
411.12720	0.7
457.16888	0.9
458.15631	0.6
487.17883	100.0
488.18121	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	487.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.3
57.21631	0.3
59.05002	0.6
64.28600	0.3
69.03418	0.4
69.29634	0.8
69.30051	1.6
70.39773	0.3
76.99737	0.3
79.99425	0.3
81.07050	0.3
83.01096	0.4
83.92461	0.3
84.01882	0.4
85.02913	0.8
85.74393	0.3
91.05466	0.4
95.01083	1.7
96.01874	0.9
97.02872	0.3
97.96430	0.3
98.22594	0.7
107.04935	0.4
107.08569	0.4
109.10138	0.3
112.01335	0.7
113.02152	1.9
129.05489	1.7
147.06540	0.4
151.11273	0.3
153.01762	0.4
157.04716	0.4
163.03906	0.6
167.03273	0.4
185.04222	3.9
201.03716	0.5
203.05190	0.6
203.06853	0.5
205.04710	28.9
206.05136	0.9
223.05928	0.3
243.08443	0.7
249.07361	0.4
250.08107	1.5
251.09126	0.6
259.07956	1.9
267.08350	0.5
285.33270	0.3
285.64838	0.3
293.09943	0.4
307.04526	0.7
307.12750	0.4
325.12646	0.8
381.08707	0.6
383.12964	0.9
395.12823	0.6
411.12543	2.5
412.12894	0.5
457.16864	0.9
487.17859	100.0
488.18094	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	487.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13118	0.4
52.64360	0.3
57.36395	0.4
69.03432	0.4
69.85669	1.0
69.86087	0.8
70.06560	0.4
79.05505	0.4
83.01112	1.1
85.02906	0.9
86.09693	0.4
95.01096	2.2
96.01890	0.7
108.06013	0.4
112.01326	0.6
113.02119	3.2
121.10151	0.4
123.04437	1.5
124.04841	0.4
126.02913	0.4
127.03863	0.5
129.05467	0.5
141.01624	0.6
144.24846	0.5
147.04413	0.8
153.01843	0.6
155.03391	3.1
156.03741	1.0
157.04758	0.8
163.03915	0.7
167.03201	0.5
167.07076	0.4
182.05513	0.4
185.04204	4.2
189.05220	12.8
190.05521	0.7
198.19324	0.4
201.03725	1.1
203.05302	1.0
205.04732	1.4
235.05836	1.2
250.08109	12.0
251.08855	0.9
257.99521	0.4
259.07932	2.5
293.09991	1.1
307.08301	0.6
308.08441	0.8
325.12958	0.6
395.13116	1.2
456.16138	0.5
457.16989	2.6
461.29129	0.5
487.17844	100.0
488.18167	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	487.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95748	0.4
56.49971	0.5
58.78958	0.4
59.05005	0.8
70.06641	0.5
70.71927	1.0
85.02900	0.5
94.97108	0.5
129.05504	1.2
139.03885	0.6
153.01897	0.7
185.04208	0.6
205.04716	24.4
206.05145	0.8
242.95592	0.6
383.13235	1.0
411.12552	1.2
412.13409	3.4
487.17868	100.0
488.18295	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	487.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08212	7.7
55.01896	10.5
57.03456	7.6
67.05518	11.5
69.03433	33.5
69.07059	43.8
69.27551	31.6
69.27987	39.7
70.06595	23.0
71.04997	15.6
73.88624	7.4
74.06079	17.2
81.03429	28.3
82.59705	7.9
83.05022	8.5
85.02921	37.4
87.04470	16.4
95.04969	12.1
97.02895	25.5
98.22479	13.6
98.97615	23.7
99.04465	11.1
105.05505	8.2
107.08648	9.1
109.02884	16.0
119.04924	19.9
123.04455	33.1
127.03951	9.1
135.04463	12.1
137.05974	64.5
139.03908	15.1
144.06563	9.3
147.04407	26.1
147.13795	30.2
153.01830	20.6
161.06026	13.4
163.03886	49.9
165.05492	16.3
171.00929	8.9
175.08696	9.5
178.92729	8.7
179.07092	18.1
181.04921	9.4
191.08147	100.0
193.04930	42.8
197.59073	8.7
198.13589	8.9
282.04556	8.8
283.12225	32.3
291.03345	12.3
307.12750	46.2
325.13928	96.6
356.34866	8.8
427.16525	56.0
445.17395	22.4
487.15778	61.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05052	0.3
57.03413	0.4
67.05489	0.5
69.03425	1.0
69.25007	2.6
81.03439	1.6
85.02911	0.8
91.05480	0.6
93.07059	0.6
95.04980	0.4
95.08601	0.4
97.02892	0.6
105.07039	0.6
107.04993	0.5
107.08553	0.5
109.02895	0.4
111.08080	0.4
115.05442	0.7
117.07001	0.5
119.08595	0.6
121.06494	0.5
121.10110	0.8
131.04958	0.7
133.06554	0.4
136.43576	0.4
137.05965	1.9
139.03885	0.4
141.06990	0.4
145.06465	0.5
147.08038	0.5
149.05983	0.5
151.07542	0.9
159.08087	0.8
161.06003	0.5
163.07576	0.6
167.07138	0.4
175.07523	0.6
177.05452	0.4
181.08632	1.8
187.07518	0.8
191.14267	0.3
201.09117	0.4
203.05304	0.7
205.08527	0.5
207.10159	0.7
209.11682	0.5
217.08513	0.5
219.10141	0.5
237.11296	0.6
238.60063	0.3
243.13809	0.3
259.07742	0.4
308.40088	0.4
316.13681	0.3
321.13303	0.7
325.06873	0.3
325.16324	0.8
386.09946	0.4
444.22156	0.4
445.17599	0.4
487.21454	100.0
488.21765	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	487.2152
Annotation	3"-Deamino-3"-hydroxykanamycin X
Peak:m/z	Relative Intensity
55.05508	0.4
65.29142	0.3
65.42712	0.3
66.45007	0.2
67.05491	0.4
69.03419	0.7
71.04999	0.3
71.31887	0.3
73.34892	0.2
79.05481	0.8
81.03419	0.9
81.07057	1.0
85.02923	0.8
91.05501	1.0
93.07056	0.9
95.08622	0.5
95.53017	0.3
97.02904	0.4
103.05489	0.6
105.07062	1.0
105.35941	0.4
107.04935	0.6
107.08582	1.2
109.02910	0.5
109.06479	0.3
109.10157	0.4
111.04487	0.3
119.04956	0.4
119.08571	0.6
121.06492	0.4
121.10159	0.5
125.02328	0.4
131.08551	0.5
133.10162	0.5
135.08096	0.8
137.05992	0.6
145.10149	0.5
146.07326	0.3
147.04434	0.5
151.07590	0.6
153.01813	0.3
159.11705	0.5
161.06151	0.4
163.03922	0.3
163.07553	0.7
164.08340	0.8
165.09102	0.3
173.13284	0.3
177.05475	0.6
178.09917	1.0
179.07228	0.3
185.08136	0.3
203.07018	0.4
219.06453	0.4
291.08685	0.4
292.07684	0.3
297.09125	0.3
307.09506	0.4
325.10635	0.8
325.16306	0.5
325.20078	0.3
335.09479	5.0
348.69946	0.3
355.17142	0.6
487.21497	100.0
488.16028	0.4
488.21796	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	487.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03969	3.6
55.01880	3.9
55.05499	17.2
57.07072	4.7
61.80338	3.0
67.05496	21.1
68.03908	3.2
69.03429	6.8
69.07054	19.9
69.43880	12.2
69.44284	7.6
71.05022	3.2
79.05498	14.0
80.27658	2.8
81.07054	31.5
83.04977	8.1
83.08611	10.1
85.06544	10.3
91.05482	14.6
93.07052	29.2
94.34892	3.8
95.04971	8.6
95.08598	45.7
97.06535	11.0
97.10163	4.4
98.61589	3.5
99.04464	6.9
105.07021	37.8
107.08595	44.1
109.06525	10.5
109.10155	26.1
111.04434	3.4
111.08092	7.8
115.05548	3.0
115.38938	3.4
117.06995	8.1
119.08573	51.1
120.08951	4.1
121.06519	4.7
121.10140	31.2
123.08098	10.0
123.11705	10.0
125.09657	9.0
129.07043	5.6
131.08586	26.9
133.10118	31.7
135.08087	11.9
135.10802	4.6
135.11684	23.7
137.06004	4.4
137.09581	16.4
137.13281	7.1
143.08569	16.8
145.10147	25.1
147.11668	25.4
149.05927	4.0
149.09651	12.7
149.13248	8.0
151.07524	4.4
151.11162	5.6
153.09143	5.6
155.08575	7.8
157.06436	3.7
157.10086	17.0
158.10895	3.5
159.08080	7.3
159.11702	23.7
161.09698	9.7
161.13266	17.5
163.11191	12.4
163.14853	6.0
165.12761	6.2
169.10117	12.1
171.11703	12.1
173.09657	5.0
173.13268	22.5
175.11172	9.6
175.14821	16.9
177.12701	5.6
179.10760	4.2
181.10129	6.6
183.11725	10.3
185.13281	16.3
187.11176	8.8
187.14822	17.0
188.46255	3.9
189.09187	5.8
189.12770	5.2
189.16383	19.6
191.14308	8.7
191.17908	4.5
193.15819	3.5
195.11748	6.9
197.13310	10.9
199.11285	4.4
199.14850	7.0
201.12743	6.8
201.16341	5.4
203.14297	8.6
205.15884	11.0
207.17485	5.2
209.13304	5.7
211.14777	3.7
213.12735	7.4
213.16432	4.4
215.14323	7.6
217.12254	3.7
217.15852	6.1
225.12775	4.6
227.17924	5.1
229.15720	3.6
231.13893	4.0
233.15381	8.8
235.16942	4.5
243.17520	5.9
253.15933	8.3
257.18994	3.4
287.20053	4.0
299.16364	7.1
307.09229	3.7
325.10776	3.7
363.26947	5.2
405.27829	9.5
423.28796	11.0
433.27429	5.2
441.33871	7.5
451.27762	6.9
451.32718	7.1
469.28882	10.4
469.33441	11.4
487.35001	100.0
488.34308	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	487.3055
Annotation	Camphoratin C
Peak:m/z	Relative Intensity
51.02370	0.9
52.69061	0.9
53.03943	4.5
55.01865	1.8
55.05510	4.1
57.07071	2.5
59.05001	2.0
62.18760	0.9
65.03943	1.3
67.05508	7.9
69.03431	2.8
69.07069	8.3
69.73520	4.4
71.05006	1.3
77.03933	1.3
79.05493	44.8
81.07055	10.4
83.04971	1.8
83.08618	3.0
87.04462	7.4
91.05479	12.3
93.07044	73.3
95.04964	5.2
95.08605	10.8
97.06536	10.5
97.10168	2.0
105.04496	1.7
105.07035	10.3
107.04977	1.0
107.08593	51.5
109.06528	2.2
109.10152	7.5
111.08089	3.1
117.07022	2.4
119.08568	8.2
121.06506	2.9
121.10134	11.1
122.14958	0.9
123.08053	2.0
123.11725	4.5
125.09634	2.4
129.07011	1.3
131.08548	5.8
133.10126	12.3
135.08057	2.4
135.11691	100.0
136.12035	3.4
137.09598	4.8
137.13264	1.2
139.07646	1.0
139.11185	10.1
143.08536	3.7
145.10118	9.5
147.08051	1.2
147.11681	3.7
149.09602	4.9
149.13242	2.2
150.10381	3.5
151.11198	2.7
153.09094	2.7
153.12694	1.3
157.10141	1.4
159.11665	3.7
161.09683	1.4
161.13249	3.8
163.11157	2.4
163.14867	1.5
165.12753	1.1
167.10663	7.4
171.11667	1.9
173.09671	1.4
173.13284	3.6
175.14848	3.4
177.09064	2.0
177.12749	1.2
177.16383	1.7
181.12241	2.0
185.13332	1.9
187.14804	8.8
189.16344	7.6
191.10632	2.1
191.14296	3.9
193.12466	1.1
193.15874	2.0
197.13107	1.0
199.14748	1.3
201.16356	1.5
203.14272	1.9
205.15912	1.3
207.17348	1.8
209.15353	5.4
215.14285	1.3
219.13785	2.8
219.17592	1.4
221.15355	3.9
223.16945	1.5
229.19551	1.4
231.13788	1.2
233.15344	4.8
235.13329	4.4
235.16904	1.3
235.61977	0.9
237.14853	29.9
241.19458	2.2
243.21176	1.5
249.14841	2.5
251.12787	1.7
251.14122	0.9
251.16347	7.7
259.20602	1.0
261.14917	6.6
261.22067	2.5
279.15845	11.9
287.20142	4.9
300.11612	0.9
303.19504	2.9
305.21103	4.0
321.20718	3.8
335.18497	2.3
347.21536	1.0
353.19601	1.3
407.29120	1.4
423.28754	5.5
425.30447	13.0
426.30603	1.1
441.29666	1.2
443.31580	6.7
451.27982	2.1
469.29047	4.2
487.35751	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	487.3056
Annotation	Camphoratin C
Peak:m/z	Relative Intensity
50.14068	0.5
53.03936	1.6
53.79010	0.6
55.05505	3.2
57.03445	0.5
57.07072	1.8
65.03957	0.8
67.05511	2.7
69.01852	2.3
69.02275	2.4
69.03425	1.7
69.07075	3.7
71.04965	0.5
72.37569	0.5
77.03927	0.7
79.05492	31.7
80.05812	0.9
81.07051	4.5
83.04975	1.1
83.08619	1.2
87.04457	1.9
91.05471	8.1
91.05988	0.8
93.07042	54.4
94.07363	0.9
95.04952	2.6
95.08598	3.6
97.06537	6.3
99.04436	0.6
105.04530	0.7
105.07007	5.1
107.08592	37.1
108.08963	0.9
109.06523	0.9
109.10151	2.3
110.07714	0.5
111.08087	1.8
117.07034	0.7
119.06118	0.6
119.08568	3.6
121.06470	1.6
121.10140	5.3
123.08064	0.9
123.11716	2.5
125.09611	1.3
131.08568	2.4
133.10115	7.6
135.11691	100.0
136.12016	2.7
137.09607	3.9
139.07594	1.0
139.11182	6.7
143.08505	0.9
145.10120	5.5
147.08064	1.4
147.11674	1.3
149.06018	0.5
149.09602	4.3
149.13300	1.4
150.10382	1.6
151.11194	1.8
153.09010	0.8
153.12755	1.3
159.11736	1.0
161.13266	1.1
163.11183	2.2
165.09056	0.5
165.12750	1.0
167.10690	5.0
171.11621	0.6
173.13327	2.6
175.14804	0.8
177.09099	2.7
177.12788	0.9
177.16428	2.5
181.12225	1.1
183.10243	0.8
185.13301	1.2
187.14799	4.7
189.16403	5.8
190.16718	0.6
191.10696	1.2
191.14293	4.2
193.15874	1.0
195.10176	1.1
201.16214	0.6
205.15924	3.2
207.13849	0.8
207.17488	1.6
209.15384	4.7
215.14409	0.6
219.13742	2.9
219.17444	0.9
221.15363	2.2
223.16896	1.0
233.15327	4.8
235.13248	2.8
235.16975	0.8
237.14848	29.9
238.15132	1.1
243.21201	1.1
249.14859	1.9
251.16415	9.7
259.20517	0.8
261.14859	2.4
261.22165	2.2
275.16422	0.7
279.15894	15.1
280.16403	0.8
284.32144	0.5
287.20093	1.6
293.17422	0.7
303.19467	1.4
305.21094	0.9
309.20605	1.0
321.20490	3.2
335.18454	1.3
369.24432	0.8
407.29514	1.0
423.29056	3.9
424.28958	0.6
425.24985	1.1
425.30487	15.1
426.30646	0.9
441.29834	1.1
443.31570	9.0
451.28571	1.9
469.29062	5.0
487.30289	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.4
55.01867	12.6
55.05511	58.3
57.03446	3.2
57.07070	5.6
59.05006	3.7
67.05501	62.3
68.05817	2.6
69.07067	51.0
71.04986	8.7
71.31696	5.5
79.05047	4.1
79.05491	59.2
81.07055	99.1
83.04980	17.5
83.08617	57.7
85.06523	7.0
87.04429	2.9
91.05476	53.4
93.06452	4.0
93.07048	86.8
95.04958	11.4
95.08605	100.0
95.09219	5.1
96.08920	3.3
97.06528	16.9
97.10178	9.2
99.04416	4.0
99.08105	4.1
103.05424	3.6
105.04478	3.0
105.07030	68.5
107.04971	5.9
107.08595	76.4
109.06523	31.6
109.10153	48.7
111.04448	9.2
111.08081	20.2
113.06043	3.1
117.07030	18.5
119.07761	5.0
119.08584	94.1
120.08948	4.5
121.06502	14.5
121.10149	70.9
123.08063	40.4
123.11674	17.7
125.06013	3.5
125.09628	7.6
128.06230	4.6
129.07001	11.6
131.08543	29.3
133.06462	6.0
133.09193	3.6
133.10136	48.3
135.08028	14.7
135.11696	38.5
137.05974	25.3
137.09610	23.8
137.13243	11.3
139.07538	46.8
139.11168	11.3
141.06967	5.2
142.07748	5.0
143.08571	21.1
145.06519	3.9
145.10124	42.1
147.08029	14.5
147.11711	37.3
149.09653	13.7
149.13243	22.6
150.13718	3.1
151.07550	19.0
151.11197	8.5
153.09093	5.8
153.12723	5.8
155.07117	3.2
155.08524	5.0
156.09438	2.7
157.08705	6.9
157.10109	23.0
157.12157	3.0
159.08107	5.2
159.11699	31.5
161.09610	12.8
161.13235	21.0
163.07594	3.4
163.11188	7.6
163.14836	20.3
165.09106	9.0
165.12688	3.6
167.10680	3.3
169.10141	8.7
170.10909	3.9
171.11674	22.4
173.08093	9.2
173.09578	4.4
173.13274	29.0
175.07681	2.6
175.08208	3.0
175.09656	21.1
175.11168	8.1
175.14804	31.1
177.09132	3.6
177.12740	5.9
177.16386	18.3
179.10672	3.7
179.14377	3.8
181.10141	3.1
183.11723	9.7
185.13197	16.6
187.11171	5.4
187.14813	30.0
189.09096	3.1
189.12776	6.5
189.16420	22.1
191.14317	8.6
193.15898	4.1
195.11699	4.0
197.13237	4.7
199.07616	3.6
199.14841	16.0
201.11163	8.1
201.12808	7.4
201.16412	26.1
203.14355	10.8
203.17902	5.8
205.12144	3.1
205.15875	9.8
207.17410	4.0
211.14813	7.5
213.12708	4.7
213.16336	8.1
215.14313	7.6
215.17946	9.3
217.15871	10.7
217.19420	3.6
225.16479	5.0
227.14458	3.9
227.17938	5.8
229.15941	6.6
229.19502	10.3
231.17470	8.0
233.15308	5.2
235.16956	8.1
241.19492	10.3
243.21199	5.8
245.15468	4.5
247.16908	5.9
251.16431	8.7
259.17117	4.0
259.20636	8.1
261.18420	4.9
261.22241	3.2
273.18405	6.0
275.20245	4.6
277.21582	28.5
279.23105	13.4
295.22726	25.8
313.23535	5.0
327.21951	3.0
329.36884	2.9
379.26215	4.8
387.29831	5.4
397.27429	10.7
405.31711	13.5
415.28314	31.3
423.32990	25.8
433.29727	50.6
434.30252	4.5
441.34116	32.1
451.31259	25.8
469.28601	4.7
469.32712	15.2
487.22406	28.6
487.29779	15.2
487.33859	27.0
488.29865	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	487.3417
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
53.03937	4.8
55.05514	13.3
57.07065	3.0
58.22689	1.5
65.03928	2.4
67.05502	28.9
69.03411	1.6
69.07065	14.5
69.39848	1.3
70.48528	1.9
70.48861	3.2
71.04982	2.7
77.03929	1.4
79.05489	30.1
81.03427	3.4
81.07050	40.7
83.04967	5.8
83.08603	4.9
85.06547	2.5
85.32960	1.4
91.05472	31.2
93.07035	38.6
94.07392	1.9
95.04963	9.9
95.08599	53.6
97.06523	3.1
97.10138	4.2
105.07026	41.9
107.04942	1.8
107.08588	41.1
109.06539	6.9
109.10152	23.4
111.08095	3.1
117.07006	6.3
119.08565	39.1
120.08867	2.0
121.06488	2.9
121.10130	24.8
122.10468	1.8
123.08051	9.1
123.11698	6.9
125.06022	2.0
125.09632	5.0
128.06186	2.9
129.07013	8.1
131.08551	15.1
133.06548	1.5
133.10129	24.4
135.08018	7.8
135.11702	14.0
137.05966	1.5
137.09570	4.0
137.13240	2.8
139.11241	1.7
141.06911	1.8
142.07782	2.1
143.08537	11.0
145.10117	21.5
147.08020	4.4
147.11682	21.1
149.09615	4.8
149.13254	10.1
151.07510	2.3
153.09085	2.5
155.08531	3.5
156.09326	2.0
157.10114	10.1
159.08000	4.1
159.11674	11.9
161.09659	7.9
161.13229	15.0
162.61977	1.5
163.07516	2.0
163.11163	5.0
163.14796	10.7
165.12749	2.7
169.10110	4.0
171.11649	16.9
172.11850	2.0
173.09630	6.1
173.13237	12.2
175.11162	3.1
175.14801	20.3
176.15195	1.9
177.08992	1.5
177.12724	2.8
177.16328	4.8
179.14308	3.4
183.11687	5.9
185.13225	6.9
187.11189	3.4
187.14828	14.2
188.15289	2.4
189.12732	6.6
189.16380	15.3
191.17940	2.1
193.12262	2.3
193.15874	1.6
195.11621	1.8
197.13298	5.5
198.13846	2.1
199.11145	2.3
199.14827	9.3
201.12715	3.5
201.16362	5.2
203.14352	6.2
203.17926	2.9
205.12122	3.1
205.15874	4.9
207.13808	8.4
207.17516	1.5
209.13290	3.1
211.14771	4.0
213.12605	2.4
213.16348	6.1
215.14345	10.0
215.17937	2.1
217.12383	1.5
217.15761	7.2
219.13751	1.8
223.14851	2.7
225.16409	3.5
227.17946	5.0
229.15973	2.1
229.19417	3.4
231.13780	2.9
231.17429	2.4
237.16354	3.3
239.18114	1.7
241.19536	3.0
243.17406	5.2
245.15329	2.9
247.17000	1.9
251.17963	2.0
253.15887	1.5
253.19576	2.3
265.19461	2.1
267.21121	2.4
269.19012	2.3
271.16907	1.9
279.21033	3.4
289.17978	13.7
291.20999	2.3
297.21973	1.9
331.24097	2.3
343.22562	2.8
349.25558	1.9
351.23141	1.9
377.31815	1.6
393.31613	3.2
395.25690	3.2
405.31604	7.3
406.32059	1.9
421.31027	4.2
423.32480	5.5
433.30972	6.0
439.32047	40.0
440.32150	4.2
441.29489	2.7
451.32114	70.1
452.32388	9.0
453.30002	5.1
469.33231	100.0
470.33627	13.5
487.33865	32.0
488.35355	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	487.3417
Annotation	gypsogenic acid
Peak:m/z	Relative Intensity
53.03934	1.2
55.01860	1.3
55.05500	7.6
57.02350	1.3
57.07063	3.4
60.10249	1.0
67.05501	11.2
69.07067	13.4
69.14548	9.2
70.97430	1.0
79.05479	7.6
81.06611	2.0
81.07050	25.0
83.04960	1.5
83.08601	6.3
91.05471	6.7
93.07039	15.8
95.04950	2.2
95.08600	34.5
97.06533	2.7
97.10162	5.1
98.24915	1.0
105.07020	19.4
106.07319	1.3
106.40073	1.0
107.08592	20.3
109.06526	2.7
109.10144	15.7
111.08067	2.1
117.07007	2.5
119.08576	28.9
120.08842	1.4
121.06487	2.4
121.10123	16.6
123.08046	2.1
123.11701	11.2
125.09625	2.4
129.06979	2.0
131.08556	8.1
133.10120	17.0
134.10464	1.1
135.08028	1.8
135.11676	10.8
137.05977	1.2
137.09636	2.3
137.13240	9.3
139.07533	3.0
143.08569	5.3
145.10106	13.5
147.08031	1.8
147.11655	14.8
149.13228	7.7
151.07469	1.3
151.14818	2.7
153.09122	3.3
155.08562	3.2
156.09285	1.3
157.10152	4.6
158.07242	1.2
159.08032	1.1
159.11679	9.7
161.09535	2.2
161.13239	9.2
163.07451	1.5
163.11189	1.2
163.14795	7.4
165.09094	2.2
167.10725	1.2
169.10129	3.7
171.08141	1.1
171.11699	5.5
173.09587	1.2
173.13197	12.4
175.11224	1.3
175.14810	16.0
176.15138	1.2
177.09099	1.4
177.12759	1.8
177.16388	2.4
179.10648	2.6
179.14349	1.8
183.11722	4.4
185.13266	4.5
187.11188	1.3
187.14793	15.7
187.22391	1.0
189.12694	1.3
189.16377	11.7
190.16762	1.2
191.10660	1.4
193.12274	4.1
197.13260	2.9
199.14864	4.6
201.16402	6.2
202.16725	1.0
203.14334	3.5
203.17937	5.9
207.17404	2.1
209.13110	1.7
211.14842	3.6
213.16389	6.0
215.14294	2.2
215.17943	3.8
217.12169	2.0
217.15858	2.1
219.13844	2.1
221.15341	6.4
223.14769	2.1
225.16368	4.5
227.17915	9.0
228.18568	2.5
229.12328	1.3
229.19485	4.8
231.13734	1.2
231.17479	1.7
233.15442	1.3
237.16364	1.3
239.14284	1.4
239.17923	3.3
241.15924	1.3
241.19554	3.5
243.13678	1.2
247.16859	2.4
249.18509	3.3
251.17946	1.5
253.19511	4.2
255.21016	2.8
257.18964	1.5
259.16785	2.8
265.19263	1.7
267.20981	2.0
269.18964	2.8
271.16913	2.4
271.20502	2.3
273.18469	8.7
280.19720	1.1
285.18555	3.1
287.20001	4.2
295.23999	2.3
299.20038	4.6
323.22681	1.8
325.21713	1.5
339.23181	1.5
341.24530	1.9
363.26871	2.9
377.32077	10.6
380.46304	1.0
381.27771	2.3
387.30292	2.7
395.33148	6.8
405.31607	12.3
423.32523	56.2
424.33005	5.7
433.30994	7.7
441.33646	19.5
442.34061	1.3
451.32138	7.8
469.33124	100.0
470.33484	9.0
487.34628	16.8
488.34518	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3422
Annotation	gypsogenic acid
Peak:m/z	Relative Intensity
53.03942	1.9
55.01870	3.9
55.05510	17.1
57.07072	5.5
58.50322	1.8
67.05511	21.8
69.03430	1.7
69.07069	25.4
71.08614	2.3
71.86558	1.9
79.05489	19.9
80.05817	1.7
81.07059	43.5
82.07380	2.5
83.04990	5.6
83.08633	13.8
89.38508	1.6
91.05481	15.4
93.07043	28.5
95.04999	3.3
95.08611	69.8
96.08936	1.9
97.06539	4.4
97.10175	12.1
97.30421	1.7
99.04497	2.3
99.08107	3.6
101.06070	2.4
105.07033	30.3
107.08603	37.3
107.48811	1.7
109.06529	4.1
109.10162	32.7
111.08108	4.5
117.07035	8.1
119.08588	43.8
121.06570	3.0
121.10145	34.8
123.08109	4.0
123.11714	15.3
125.06009	3.3
125.09605	8.9
129.07014	4.0
131.08565	14.6
133.10117	24.1
135.08020	4.9
135.11699	22.0
137.06010	5.2
137.09645	2.6
137.13266	16.2
139.07541	3.9
143.08577	6.6
145.06551	2.7
145.10138	21.6
147.11678	17.2
149.09634	3.3
149.13281	12.8
151.07538	4.3
151.11212	3.3
151.14865	6.2
153.09123	5.2
155.08542	3.4
157.10133	19.1
159.08061	1.8
159.11719	16.2
161.09633	5.6
161.13254	12.8
163.07553	4.4
163.11195	4.0
163.14807	9.7
165.09158	3.4
165.12729	2.9
169.10143	6.1
171.11719	11.2
172.12482	2.2
173.13275	16.9
175.11192	3.6
175.14827	30.5
177.09203	3.2
177.12701	2.4
177.16402	5.6
179.10663	2.1
179.14272	3.8
183.11742	6.9
185.13246	8.2
187.11298	2.3
187.14824	15.5
189.09245	2.7
189.11240	11.0
189.12798	3.3
189.16415	9.4
191.10706	1.9
191.14330	2.7
191.17993	5.3
193.12251	9.2
193.15913	3.0
195.81737	1.8
197.13284	6.1
199.14870	10.3
201.09035	1.9
201.12712	2.5
201.16402	14.4
203.14362	5.6
203.17981	5.2
205.12216	2.1
207.13708	2.5
209.13330	3.9
209.15317	2.1
211.14839	7.2
213.16338	8.9
215.10730	3.1
215.14389	2.9
215.17967	7.1
217.12172	2.4
217.15869	2.7
219.13844	2.6
221.15308	10.6
223.14861	3.8
225.16394	7.5
227.18044	12.2
228.18517	2.6
229.19395	8.1
231.17445	1.9
233.15436	2.7
235.16925	4.2
239.17937	6.7
241.19595	5.2
247.16837	2.1
249.18536	3.9
251.17982	2.6
253.19586	6.7
255.21156	5.6
259.17053	2.6
269.18924	3.2
271.16986	3.2
271.20660	2.9
273.18475	13.1
275.20016	3.0
278.11972	2.0
285.18585	7.7
287.20084	9.7
290.59384	2.2
293.22574	2.1
299.20047	3.3
307.24130	2.2
309.22330	2.5
327.23145	7.4
339.23309	2.0
341.25009	2.1
363.26770	3.2
377.31949	10.4
381.27524	1.9
387.30347	2.2
395.33142	6.9
405.31689	15.0
415.32056	3.6
423.32617	100.0
424.33215	10.9
425.33817	2.2
433.32452	7.3
441.33844	36.8
442.34222	3.0
451.32300	9.3
469.33212	93.3
469.39883	4.5
470.33701	11.4
487.22156	2.0
487.34561	44.0
488.34494	5.1
490.95337	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.342
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
51.66752	1.9
53.03947	2.5
54.57497	1.9
55.05505	7.7
57.72631	2.3
62.19532	2.0
67.05502	11.3
69.07055	9.3
69.56178	5.8
69.56590	6.4
75.76911	1.8
79.05503	10.0
81.07056	23.3
83.08602	3.4
91.01624	2.4
91.05466	13.5
93.07047	21.5
95.04974	3.7
95.08598	26.2
97.06519	4.9
97.10197	3.0
105.07030	23.9
107.04876	2.9
107.08585	30.6
109.06520	3.8
109.10163	15.5
111.08080	2.4
117.07073	4.0
119.08588	29.8
121.06501	5.6
121.10142	23.3
123.08143	2.8
123.11695	5.6
125.09626	4.9
129.06981	4.0
131.08574	12.7
133.10129	43.1
135.08047	6.7
135.11688	21.6
137.09573	3.7
143.08551	6.8
145.10107	20.4
147.08000	4.0
147.11681	22.0
149.09654	4.8
149.13283	13.4
153.09084	3.0
157.10109	7.1
159.08011	2.6
159.11722	16.4
161.09605	5.5
161.13254	6.5
163.07594	2.6
163.11089	3.4
163.14812	6.3
169.10115	4.2
171.11693	10.0
172.12442	3.7
173.09604	5.7
173.13220	16.7
175.11198	2.9
175.14880	19.9
177.12708	3.4
177.16306	5.6
180.89861	2.1
183.11696	6.3
185.13272	9.1
187.14853	23.3
189.12767	5.7
189.16411	15.7
191.14293	4.0
191.18051	2.6
195.11522	2.8
197.13240	4.4
199.14806	9.3
201.12740	4.4
201.16344	4.0
203.14311	3.1
209.13235	2.5
211.14867	4.7
213.16377	6.6
215.14360	14.3
215.17856	3.8
217.15849	4.4
221.12987	2.5
225.16344	3.1
227.17911	5.6
241.19429	4.3
247.17030	4.4
251.17894	2.7
253.47650	2.1
255.21008	2.4
257.19043	3.6
265.17990	6.1
283.23773	2.0
289.18124	4.1
303.19592	2.4
343.22998	2.3
387.30319	4.0
399.28979	3.1
405.31815	9.8
406.31384	2.1
423.32990	3.6
433.30841	6.2
441.29504	7.5
441.34183	5.4
451.32111	100.0
452.32339	14.9
469.33569	33.0
470.33496	3.5
487.34933	17.1
488.34207	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	487.3418
Annotation	Euscaphic Acid C
Peak:m/z	Relative Intensity
53.03947	0.9
55.05512	5.6
57.07073	1.8
67.05504	6.4
68.20422	0.8
69.03446	1.4
69.07066	7.5
69.63536	4.3
79.05483	6.1
81.07051	17.5
83.04984	3.5
83.08624	3.3
85.06551	1.1
90.04193	0.7
91.05477	8.6
93.07040	14.8
95.04958	2.3
95.08604	19.9
97.06531	2.8
97.10207	0.8
98.22726	1.2
99.73921	1.0
105.07028	16.4
106.07374	1.3
107.04949	1.3
107.08594	23.3
108.08881	0.9
109.06512	2.3
109.08957	0.8
109.10171	11.0
111.04435	1.1
111.08060	2.3
117.07019	2.8
119.08583	25.6
121.06535	1.7
121.10148	15.2
123.08063	2.5
123.11668	5.0
125.06034	1.0
125.09632	0.9
128.06253	1.5
129.07063	2.3
131.08568	11.3
133.06519	0.8
133.10117	15.9
133.11028	1.3
135.08081	3.4
135.11682	12.7
137.05981	1.2
137.09628	2.0
137.13327	1.4
139.11214	1.1
141.07030	1.1
142.07806	1.2
143.08574	5.1
144.09068	1.1
145.10138	11.1
147.08076	2.2
147.11681	10.6
149.06148	0.9
149.09671	2.7
149.13223	4.7
151.07512	1.1
151.11165	1.4
155.08513	1.7
156.09378	1.0
157.10081	5.9
159.08102	2.4
159.11710	7.8
160.12038	0.9
161.09619	3.2
161.13231	6.1
163.07578	1.8
163.11226	1.2
163.14874	2.9
169.10178	2.9
171.11687	6.7
173.09584	2.3
173.13257	8.5
174.13754	0.9
175.11269	2.3
175.14816	14.9
176.15137	1.0
177.16426	4.6
179.07169	0.9
179.14250	1.5
183.11670	4.1
185.13287	8.5
187.11217	2.5
187.14821	10.5
189.12839	2.6
189.16360	9.3
190.16879	0.9
191.14290	1.2
191.17943	1.5
193.15964	1.1
195.11676	2.0
197.13127	4.8
199.11169	2.0
199.13242	0.8
199.14838	4.8
201.12785	1.7
201.16331	4.9
203.03171	1.7
203.14314	8.0
203.17984	1.1
205.12219	1.0
205.15918	2.8
207.17456	1.6
209.13290	2.4
211.14827	2.4
213.12727	2.4
213.16418	3.1
214.30530	0.9
215.14360	5.5
215.18103	1.0
217.12274	1.4
217.15872	3.0
221.13425	0.9
221.15462	2.3
225.12843	1.1
225.16420	2.7
227.14374	1.6
227.17967	2.0
229.15933	2.0
233.15408	1.8
235.17029	2.9
239.18015	1.7
241.15833	0.9
241.19562	2.4
249.14941	1.5
251.17992	2.3
253.19531	1.8
255.17409	2.0
257.19272	1.1
261.14923	1.8
265.19708	1.2
269.19083	3.3
271.20572	1.0
307.18823	2.1
336.23489	0.8
344.62192	0.8
371.26831	0.8
387.25647	1.7
387.30588	1.0
405.31766	4.5
423.27997	1.1
423.32776	14.6
424.33157	1.1
441.33853	12.0
451.32214	3.5
469.33182	100.0
470.33569	9.4
487.22934	5.4
487.34250	91.8
488.34537	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	487.3416
Annotation	24-Epi-acerinol
Peak:m/z	Relative Intensity
54.08781	7.6
55.05512	24.7
58.79041	6.7
63.09435	8.1
63.30751	6.7
67.05500	42.2
69.07070	23.8
69.80064	34.8
71.04997	12.9
78.04267	7.3
78.86214	9.0
79.05476	49.2
81.03432	6.9
81.07061	63.2
83.04975	10.1
83.08627	13.1
91.05476	36.2
93.07040	55.6
95.08605	87.1
97.06533	15.0
105.07026	69.9
107.08603	88.1
109.06507	10.5
109.10151	37.0
111.08058	12.7
117.06997	17.9
119.08589	100.0
121.06451	11.5
121.10162	56.4
123.08047	7.7
123.11728	18.1
125.52068	7.5
131.08565	54.1
133.10126	87.1
133.13647	7.4
135.08034	19.8
135.11679	34.7
137.09610	9.1
142.07774	8.4
143.08545	25.5
145.10132	64.0
147.11679	41.8
149.09612	13.5
149.13269	22.2
151.07533	11.9
157.10155	32.7
159.08069	13.7
159.11703	52.4
161.09644	14.9
161.13246	25.2
163.11287	7.6
163.14828	29.0
165.09096	10.6
169.10114	14.6
171.11720	23.0
173.13297	53.0
175.11215	11.5
175.14819	41.0
177.12807	10.5
177.16368	12.5
183.11720	15.9
185.13315	22.3
187.11224	8.6
187.14824	46.9
189.12755	16.3
189.16423	49.0
191.14308	28.7
193.12213	7.8
199.14912	16.6
201.16418	33.4
203.10889	7.7
203.14337	33.1
203.17944	17.7
205.15892	15.3
207.17450	12.5
209.15335	18.0
213.16432	10.7
215.14388	13.4
217.15918	27.0
221.15407	8.2
225.16393	8.3
229.19414	9.3
235.17081	8.6
239.18030	13.5
247.16953	25.8
255.20708	9.3
279.23355	10.0
405.31512	15.6
433.31152	8.3
441.33328	32.3
451.32358	12.2
487.34668	96.1
488.34192	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	487.3434
Annotation	3alpha-Hydroxy-13(18)-oleanene-27,28-dioic acid
Peak:m/z	Relative Intensity
52.05746	3.2
53.03943	4.9
55.05510	22.2
57.07084	10.7
60.31517	3.6
67.05499	28.3
68.05869	3.6
69.07076	25.7
69.30554	9.9
69.30960	21.2
71.05013	6.4
79.05477	28.2
81.07051	63.4
83.04987	4.8
83.08617	15.2
86.08981	3.9
91.05478	24.2
93.07037	55.2
95.04948	8.8
95.08601	81.4
97.06547	8.3
100.92345	4.0
105.07027	53.3
107.08582	73.3
109.06493	10.3
109.10161	46.5
111.08121	7.9
115.80725	3.9
117.07053	10.8
119.08574	84.2
121.10145	63.1
121.54214	3.7
123.08067	18.4
123.11719	21.7
125.09669	12.7
127.69744	4.6
129.07004	5.6
131.08568	38.4
133.10126	68.8
133.11035	6.1
135.08054	11.4
135.11690	33.9
135.45811	3.6
137.09668	7.6
137.13234	6.6
142.07814	6.0
143.08560	16.6
145.10120	51.5
147.08099	6.0
147.11678	37.6
149.09624	7.3
149.13264	22.5
153.09114	5.0
155.08496	5.3
157.10124	23.7
158.10684	3.6
159.11687	36.5
161.09656	9.3
161.13289	24.3
163.11269	4.1
163.14825	24.9
169.10114	11.2
171.11661	24.8
173.09555	6.1
173.13284	26.9
175.11214	5.8
175.14818	40.4
177.09126	5.7
177.16394	16.4
183.11626	7.1
185.13232	21.4
187.14807	41.6
187.16307	4.1
189.16408	22.2
191.14301	8.7
193.12230	4.7
195.11754	5.5
197.13269	9.6
199.14890	18.2
201.12740	5.3
201.16385	43.3
203.14326	6.7
203.18031	12.0
205.15886	8.4
211.14857	13.3
213.16415	17.1
215.14366	5.6
215.17987	11.6
217.15907	12.3
219.13905	4.5
219.17404	9.5
221.15477	6.9
223.11200	3.8
225.16437	8.8
227.17917	6.9
229.15886	10.5
229.19577	10.4
231.17451	7.4
233.15434	5.7
235.16948	10.4
239.17880	9.8
241.19499	10.2
247.16948	14.5
249.07321	7.0
250.07724	13.3
251.07843	14.1
253.19609	13.4
255.21123	4.1
257.19037	7.3
259.20822	4.9
261.18640	6.0
267.21082	5.2
269.18860	6.4
277.21841	4.3
293.21219	5.7
387.30380	9.1
395.33167	8.1
405.31335	28.0
406.31720	5.4
423.32651	48.5
433.30972	14.3
436.30865	4.9
441.28140	7.7
441.33713	100.0
442.34033	10.1
451.32193	17.0
469.21298	20.4
469.33624	18.5
487.21616	27.5
487.34308	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3417
Annotation	Acerinol
Peak:m/z	Relative Intensity
53.03938	0.5
55.05505	1.5
57.07067	0.6
65.03945	0.4
67.05499	2.7
69.03442	0.4
69.07063	2.3
69.56721	0.2
71.04999	0.5
71.32681	0.5
76.64920	0.3
79.05485	2.4
81.07048	6.3
83.04960	0.4
83.08593	1.5
85.06561	0.4
91.05466	4.1
93.07035	5.3
95.04982	0.5
95.08599	6.4
97.06512	0.8
97.10170	0.6
99.50690	0.4
103.05444	0.3
105.07021	8.2
107.08578	7.8
109.06517	0.8
109.10147	3.8
111.08085	0.5
117.07025	1.2
119.08571	11.8
120.08937	0.4
121.06525	0.6
121.10141	4.0
123.08021	0.7
123.11688	2.2
125.05974	0.3
125.09645	0.3
129.07002	0.9
131.08556	5.3
133.06476	0.5
133.10121	6.6
135.08038	0.7
135.11688	6.3
137.05925	0.3
137.09625	0.7
137.13190	0.3
139.11185	0.4
141.07030	0.5
142.07776	0.5
143.08527	1.7
144.09341	0.3
145.06422	0.3
145.10103	5.9
145.11188	0.3
146.10550	0.3
147.08017	0.6
147.11679	5.0
147.63994	0.3
148.12062	0.4
149.06013	0.6
149.09592	0.6
149.13237	1.7
151.07509	0.4
151.11154	0.8
155.08522	1.6
156.09308	0.3
157.10110	2.5
158.10895	0.4
159.08038	0.7
159.11688	3.2
161.09612	1.0
161.13231	2.4
163.07494	1.6
163.11227	0.6
163.14838	0.9
164.08249	0.4
169.10143	1.3
170.10800	0.4
171.11697	2.9
173.09668	0.9
173.13242	6.5
175.11172	0.9
175.14801	2.7
177.12788	0.6
177.16467	0.4
182.10884	0.5
183.11673	2.5
184.12212	0.3
185.13213	2.0
187.11133	0.6
187.14806	4.4
189.12762	1.6
189.16370	6.6
190.16711	0.7
191.14360	1.0
195.11649	0.7
197.13239	2.1
199.14851	1.8
201.12730	5.1
201.16417	0.9
202.13213	0.3
203.10585	0.3
203.14330	1.2
203.18004	1.1
205.12265	0.3
205.15900	0.8
207.17426	3.4
209.13313	0.8
211.14835	0.9
213.16415	1.0
215.14314	1.5
215.17819	0.4
217.12289	0.9
217.15855	0.6
219.13771	3.5
221.15396	0.3
223.14813	0.5
225.16376	0.6
227.14328	0.5
229.12279	0.5
229.15849	0.4
230.20103	0.3
231.13870	0.4
233.15395	0.8
239.17908	0.6
241.19565	0.5
243.13794	0.6
243.17473	0.5
247.13327	1.2
251.17990	0.4
253.19652	0.3
257.19012	0.4
261.14877	0.7
265.14307	0.8
265.19479	0.6
271.20383	0.3
283.20581	0.5
383.29349	0.8
405.31671	0.5
423.32660	2.9
451.32632	0.3
469.33511	2.1
487.34161	100.0
488.34512	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	487.3418
Annotation	Acerinol
Peak:m/z	Relative Intensity
53.03942	0.4
55.05501	1.7
67.00336	0.4
67.05498	3.1
69.03408	0.6
69.07072	2.5
69.90752	1.5
75.19503	0.4
78.68546	0.4
79.05477	1.9
81.07050	4.9
83.04967	1.8
83.08601	1.5
91.05466	2.5
93.07037	5.2
95.04972	1.0
95.08598	9.7
97.06547	0.8
97.10175	0.5
105.07021	8.1
107.08591	8.1
109.06522	1.4
109.10162	5.6
111.08118	0.6
113.48532	0.4
117.07028	1.1
119.08577	11.2
121.06511	1.1
121.10133	10.0
122.10477	0.6
123.08009	1.0
123.11719	2.2
125.09621	0.6
129.06992	0.7
131.08574	3.5
132.09465	0.4
133.10117	11.3
135.08075	1.8
135.11694	5.1
137.09608	0.8
137.13284	1.1
139.07591	0.5
141.07011	0.6
143.08562	2.6
144.09290	0.4
145.06482	0.7
145.10132	6.8
147.08061	1.2
147.11662	4.2
149.09636	1.6
149.13231	2.6
151.11208	0.6
153.09160	0.8
155.08559	1.0
157.10094	3.2
158.10941	0.6
159.08090	0.8
159.11668	4.2
161.09584	2.6
161.13255	3.2
162.13589	0.5
163.07492	0.9
163.11230	1.2
163.14827	2.1
169.10139	0.8
171.11668	2.6
172.12421	0.5
173.09613	0.7
173.13252	4.7
175.11192	1.2
175.14810	7.8
177.12738	1.0
177.16457	1.2
179.10602	0.5
182.10983	0.5
183.11684	1.8
185.13196	1.9
187.11217	0.8
187.14815	7.1
188.15120	0.5
189.12726	1.6
189.16359	8.8
191.14330	1.1
191.17862	1.9
193.15840	1.0
195.11676	0.5
197.13225	1.9
199.11218	0.4
199.14816	3.3
201.12766	0.9
201.16359	1.4
203.14328	1.1
205.15875	1.2
209.13391	0.6
211.14822	1.3
213.16423	1.2
215.14334	4.9
215.17946	1.0
216.14813	0.5
216.17993	0.4
217.15849	4.7
223.16977	0.6
225.16374	0.8
227.17976	1.8
229.15855	1.1
229.19508	0.8
231.17409	0.6
233.13379	0.5
233.15318	2.8
235.16953	1.8
239.17966	0.9
241.19496	0.9
245.19096	0.7
251.16263	3.0
253.19568	1.8
255.21135	0.4
257.19156	0.7
265.19498	0.7
267.21283	0.6
269.18961	0.5
271.20578	1.7
273.18539	0.7
279.61548	0.5
291.21088	1.0
293.22757	0.7
295.23932	0.5
299.20035	0.5
309.22159	0.8
317.21176	1.1
387.30609	1.2
405.31430	4.0
423.32715	2.7
433.30914	3.5
439.32162	0.5
441.33759	3.6
451.32077	13.1
452.32349	0.9
469.33249	7.5
487.34158	100.0
488.34586	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	487.3416
Annotation	Acerinol
Peak:m/z	Relative Intensity
55.05503	3.3
57.07059	0.8
59.04998	0.5
64.88927	0.4
65.03951	0.8
67.05499	3.8
69.03419	1.1
69.07055	4.5
70.58923	0.6
70.59280	1.0
71.04968	0.5
75.93342	0.5
79.05484	3.1
81.07053	8.2
83.04965	3.9
83.08610	2.1
84.57272	0.4
85.06542	1.0
91.05462	3.2
93.07030	7.3
95.04956	1.1
95.08591	11.3
97.06535	1.7
97.10174	1.3
101.44516	0.4
103.94501	0.5
105.07029	13.9
107.04973	0.5
107.08591	9.3
109.06501	2.3
109.10147	8.9
111.06695	0.6
111.08057	1.4
117.07009	1.5
119.08571	17.2
121.06501	0.9
121.10136	12.8
123.08091	2.0
123.11710	3.1
125.09650	0.9
128.06209	0.5
129.06992	0.8
131.08554	5.8
131.98012	0.5
133.10118	15.4
135.08038	2.7
135.11667	5.1
137.06029	0.6
137.09639	1.6
137.13274	0.8
139.07582	0.7
139.11182	0.5
141.06996	0.9
143.08554	3.8
145.06540	0.6
145.10110	8.3
146.10507	0.5
147.08037	1.0
147.11685	5.8
149.09641	2.1
149.13249	3.4
151.11247	1.9
153.09059	1.3
155.08574	1.9
155.10696	0.6
156.09421	0.7
157.10112	4.6
159.08047	1.4
159.11699	5.5
161.09619	3.5
161.13255	4.5
162.57863	0.5
163.07544	0.6
163.11172	1.1
163.14763	3.1
165.12735	0.9
167.10736	0.8
169.10126	1.7
171.11673	3.1
171.18988	0.5
172.12465	0.6
173.09634	1.8
173.13242	6.8
175.07512	0.7
175.11191	1.9
175.14809	11.4
177.09157	0.5
177.12737	1.3
177.16425	1.9
181.10138	0.5
183.11693	2.2
184.12405	0.7
185.13217	2.6
187.11151	1.1
187.14807	9.3
189.12758	1.5
189.16370	19.8
190.16739	1.1
191.14320	1.3
191.17958	1.3
193.12172	0.7
193.15858	3.1
197.13300	4.2
199.14792	5.0
201.12788	1.0
201.16350	3.1
203.14360	1.7
203.17989	0.7
205.15863	3.5
207.17444	1.6
211.14806	3.0
213.16367	2.8
215.14304	5.3
215.17879	0.8
217.15855	10.8
223.16942	0.7
225.16306	1.2
227.17863	2.4
229.15906	1.3
229.19525	1.1
231.17441	1.3
233.15363	2.8
235.16966	3.5
239.17981	1.4
243.17535	0.6
243.21149	1.2
245.19070	1.3
251.16228	2.3
253.19470	3.4
255.20862	0.7
257.18973	1.2
261.14841	0.8
267.21155	0.8
269.19000	0.7
269.22577	0.5
271.20496	5.8
275.16525	0.5
279.23407	1.1
283.09668	0.5
299.20047	0.5
317.21240	1.3
319.24146	0.5
345.25769	0.6
346.93402	0.5
387.30765	0.9
405.31638	4.7
416.31775	0.5
423.32550	5.4
433.31018	1.8
441.33646	9.6
442.33530	0.7
451.32156	7.0
452.32452	1.2
469.33096	7.2
470.33585	0.9
487.34158	100.0
488.34528	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.1
53.03938	3.6
55.01864	3.5
55.05506	9.8
57.03422	2.4
57.07064	3.6
59.19389	0.7
65.03938	1.8
67.05503	16.3
69.03436	7.9
69.07064	14.3
71.04980	2.8
71.08619	1.1
71.31988	1.4
73.85355	0.8
77.03916	1.5
79.05489	15.0
81.03413	17.9
81.07056	34.0
82.07384	0.9
83.04980	10.3
83.08615	8.8
85.02901	6.0
85.06516	2.0
91.05476	24.1
91.06046	1.3
92.06287	0.9
93.07040	35.0
94.07368	1.0
95.04968	7.3
95.08603	52.0
96.08920	1.2
97.02875	1.4
97.06544	5.3
97.10152	3.3
99.04456	2.6
103.05470	17.2
104.06296	0.9
105.04519	1.0
105.07027	48.8
106.07348	1.8
107.04935	3.2
107.08592	53.1
108.08920	2.2
109.02884	4.9
109.06517	7.0
109.10152	26.8
110.10467	1.4
111.04431	1.7
111.08087	9.6
115.05468	4.0
116.06200	1.1
117.07008	12.6
119.04951	1.7
119.08576	100.0
120.08920	2.9
121.06505	7.2
121.09265	1.9
121.10140	37.7
122.03660	1.1
122.10503	1.2
123.04406	2.7
123.08054	8.9
123.11699	9.8
125.05995	1.7
125.09631	2.6
127.03913	3.3
128.06206	3.0
129.07018	5.8
130.07773	2.4
131.04927	9.5
131.08565	35.3
132.08871	1.2
133.06500	5.2
133.10123	71.6
134.10495	2.2
135.04416	1.4
135.08055	11.3
135.11688	15.9
137.05968	15.4
137.09607	3.5
137.13257	3.1
138.06340	0.9
139.03885	1.6
139.07521	1.3
139.11171	1.2
141.06970	2.3
142.07779	7.0
143.08562	17.4
144.09326	4.3
145.02815	0.7
145.05000	1.7
145.06473	4.7
145.10118	62.4
146.10541	1.9
147.04370	4.0
147.08055	5.8
147.11679	32.0
148.12111	1.4
149.05977	8.0
149.09621	8.1
149.13245	18.1
151.03908	16.0
151.05019	1.4
151.07498	2.8
151.11188	1.9
153.01865	1.1
153.09096	3.5
155.04924	6.5
155.08563	4.7
156.09337	7.0
157.06392	1.1
157.10112	23.8
158.10838	3.4
159.04449	1.8
159.08043	2.6
159.11690	46.7
160.07585	1.5
160.12259	1.5
161.05891	0.9
161.09628	11.4
161.13246	23.6
162.10054	0.8
163.03911	4.0
163.07545	10.8
163.11166	4.3
163.14806	20.8
164.08333	20.2
165.07001	1.0
165.09067	4.0
167.08513	1.3
167.10753	1.2
169.10146	5.0
170.10919	4.7
171.10176	1.1
171.11690	20.1
172.12434	2.6
173.05972	15.0
173.09628	3.2
173.13248	33.1
174.06380	0.8
174.13744	1.6
175.03946	1.1
175.07520	0.9
175.11191	6.5
175.14815	25.9
176.15065	1.5
177.12779	5.3
177.16382	16.8
179.06953	1.0
179.10652	2.2
179.14352	1.0
180.09593	0.7
181.10094	1.7
182.10828	1.2
183.04401	4.2
183.11668	6.1
184.12448	4.0
185.13251	12.8
186.13887	1.0
187.03864	1.2
187.11217	2.9
187.14809	64.2
188.15201	3.2
189.12772	6.1
189.16383	46.5
190.13239	1.1
190.16685	2.3
191.08548	1.4
191.10568	1.5
191.14297	20.3
191.17931	8.9
192.14479	1.3
193.04927	1.2
193.10199	1.0
193.12161	1.2
193.15875	1.8
195.11674	2.1
197.13251	8.8
199.11092	1.2
199.14825	29.4
200.15219	1.8
201.05460	19.5
201.12807	3.9
201.16379	53.1
202.05804	1.4
202.16710	2.7
203.14316	11.7
203.17932	21.2
204.18187	1.2
205.06551	1.1
205.15868	24.5
205.19580	1.4
207.11694	0.8
207.13831	1.9
207.17445	3.8
209.13307	1.7
209.15343	2.8
211.14737	4.3
213.12723	0.9
213.16341	11.4
214.16805	1.0
215.14357	6.1
215.17920	12.9
216.18137	1.0
217.15877	28.8
217.19482	2.6
218.16252	1.4
219.07997	2.1
219.13771	1.8
219.17461	5.3
221.15305	5.6
223.14888	1.4
223.16931	1.0
225.16417	3.3
227.17940	4.8
229.06470	1.2
229.15860	7.0
229.19434	4.5
231.17442	4.5
231.21112	1.3
233.15335	4.0
233.19023	1.9
235.14584	1.4
235.16896	22.3
237.09190	1.2
237.16519	1.5
239.17972	2.4
241.19464	3.0
243.17416	3.6
243.21057	1.9
245.15466	1.0
245.19086	1.2
247.07570	3.2
247.14720	0.7
247.16931	18.0
249.05357	1.2
249.18538	1.8
251.07169	1.0
253.19508	2.4
255.17406	2.2
255.21030	1.9
257.05951	1.6
257.18988	1.4
257.22629	1.1
259.16779	1.1
261.09033	1.6
261.18475	5.8
264.07803	3.6
265.08600	2.3
265.19608	1.4
267.06351	0.9
267.20987	1.7
269.19070	1.7
269.22299	1.4
274.06100	0.9
275.06967	1.8
281.19113	1.0
281.22586	1.5
283.09647	2.2
287.20157	1.5
289.08615	3.1
291.21191	1.0
292.07257	2.3
293.07956	1.3
297.11212	2.5
299.20084	1.1
307.09662	10.3
308.09940	1.2
311.09058	1.7
317.08182	0.9
321.25769	2.3
323.27274	1.6
325.10660	34.1
326.11011	3.3
347.27225	1.1
367.26245	2.7
375.30310	3.3
377.31894	2.5
387.30649	5.0
389.31924	1.6
393.27185	1.2
393.31552	13.1
394.31619	1.5
395.33389	1.3
405.31561	22.0
406.31812	2.6
407.33035	3.7
421.31128	8.5
423.32721	12.9
425.34476	1.2
433.31171	9.5
434.31351	1.4
439.32159	8.9
440.32834	1.2
441.33804	11.7
442.33994	1.7
451.32181	21.3
452.32288	2.2
457.32996	1.2
469.14954	24.0
469.33524	8.5
470.15259	2.4
487.15350	4.5
487.22028	2.0
487.29047	2.6
487.34152	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	487.3418
Annotation	Sandorinic acid A
Peak:m/z	Relative Intensity
55.05502	8.3
65.58723	2.6
67.05505	10.7
68.05846	2.8
69.07067	14.7
69.44368	17.3
70.24163	2.7
71.04980	4.6
77.03934	2.7
79.05486	15.1
81.07046	28.6
83.04958	4.4
83.08620	8.8
91.05476	13.5
93.07037	25.6
95.04955	5.3
95.08610	31.3
97.06537	5.4
97.10172	4.0
98.22581	3.3
105.07020	35.6
107.04930	3.5
107.08589	41.2
109.06517	8.6
109.10162	26.3
117.07016	6.9
119.08577	45.8
121.06551	5.2
121.10134	37.3
123.08105	8.2
123.11716	8.1
125.09626	4.9
129.07034	4.6
131.08563	19.3
133.10123	49.5
135.08057	9.7
135.11693	24.7
137.09665	5.7
139.07532	4.8
143.08556	7.2
145.10109	25.4
147.11700	18.0
149.09622	6.7
149.13243	14.1
157.10130	11.7
159.08081	5.1
159.11684	19.0
161.09644	10.3
161.13217	9.7
163.07565	4.0
163.14847	10.4
165.09065	3.3
169.10104	4.4
171.11687	10.1
173.09641	6.7
173.13203	22.6
175.11243	6.7
175.14812	29.3
177.12730	3.8
177.16359	6.4
183.11682	6.2
185.09599	3.6
185.13297	10.8
187.11240	5.3
187.14812	26.3
189.12802	6.3
189.16365	26.8
189.40562	3.2
191.10696	4.6
191.14255	6.5
195.11755	3.5
197.13263	4.8
199.14825	10.1
201.16391	11.5
203.14343	5.6
203.17888	6.7
205.15884	6.1
207.17459	3.3
208.17700	3.2
211.14799	4.1
213.12810	3.8
213.16379	8.9
215.14392	11.7
217.15889	8.1
219.13826	4.1
225.16472	3.5
229.15672	4.0
229.19571	4.7
231.17409	5.3
233.15341	4.8
235.16855	3.5
241.19519	5.3
243.17407	5.3
247.16951	7.0
257.19119	3.9
367.21069	4.3
405.31650	20.6
423.32935	16.1
433.30820	8.7
441.34042	20.1
451.32187	100.0
452.32239	12.9
469.33386	70.1
470.33453	7.0
487.29227	8.3
487.34497	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	487.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	10.0
55.01865	6.8
55.05495	16.3
57.03435	6.6
57.07062	7.5
58.29548	3.9
59.05000	4.1
61.69034	4.0
65.03912	5.4
67.05499	28.1
69.03429	20.2
69.07063	28.1
71.04986	7.0
77.03939	3.7
79.05502	29.2
79.32790	4.3
81.03397	27.4
81.07048	66.3
83.04980	11.3
83.08609	12.1
85.02900	20.2
85.06539	7.2
88.69375	4.2
91.05463	39.9
93.07053	53.9
94.07377	4.3
95.04963	14.7
95.08598	66.5
95.09148	7.5
96.08880	5.1
96.21537	3.7
97.02886	14.6
97.06524	9.0
97.10178	9.4
99.04433	6.3
103.05461	39.2
105.07024	66.2
106.07349	4.1
107.04922	9.4
107.08584	75.5
109.02893	11.1
109.06509	12.8
109.10166	43.1
111.04476	4.7
111.08079	14.4
115.05405	6.3
117.03352	4.3
117.07021	13.5
118.22524	3.5
119.05016	3.7
119.08579	100.0
119.09422	6.8
120.08892	4.0
121.06514	10.8
121.10143	61.4
121.52540	3.8
123.04411	3.8
123.08095	18.9
123.11687	17.1
125.09619	7.4
127.03947	7.2
128.06215	5.1
129.07002	14.6
131.04953	22.8
131.08568	35.4
133.06511	7.0
133.10127	64.2
135.04398	9.6
135.08061	19.4
135.11713	27.2
137.05971	38.3
137.09618	8.0
137.13310	5.9
142.07823	5.2
143.08560	18.8
144.09361	5.0
145.02917	5.7
145.05003	4.6
145.06465	8.7
145.10126	69.4
147.04396	6.0
147.08037	8.4
147.11694	34.1
148.12048	6.8
149.02571	4.2
149.05962	17.3
149.09589	10.1
149.13258	18.4
151.03894	17.3
151.07484	11.2
151.11162	9.0
155.04921	4.6
155.08586	6.6
157.10129	33.5
158.10872	5.6
159.08028	6.8
159.11708	64.5
161.05917	8.7
161.09641	10.9
161.13249	25.2
161.97488	3.9
163.03926	11.9
163.07513	31.1
163.11201	5.1
163.14745	19.9
164.08336	41.1
165.09065	11.9
165.12785	5.0
169.10170	8.4
171.11719	28.4
173.05948	15.5
173.09673	4.8
173.13245	32.8
175.07513	9.5
175.11211	7.0
175.14838	31.0
177.05412	4.4
177.12753	6.4
177.16391	31.1
179.07072	4.3
183.04456	8.1
183.11700	9.2
184.12489	4.4
185.13249	17.3
187.03909	5.2
187.11189	5.2
187.14818	68.1
189.12781	6.6
189.16402	40.4
191.14299	16.9
191.17892	20.2
197.13263	18.3
199.14799	36.1
201.05476	22.8
201.09073	5.7
201.12712	6.8
201.16377	30.1
203.07097	6.9
203.10690	6.2
203.14325	8.2
203.17950	31.0
204.18341	4.5
205.15891	13.7
207.13846	6.7
211.14827	6.3
213.16412	27.9
215.14299	10.8
215.17935	16.7
217.15819	21.9
217.19501	5.2
219.17401	5.4
225.16405	4.5
227.17921	6.4
229.19557	5.1
233.15373	8.6
235.16829	7.8
239.17961	6.2
243.20929	4.4
245.15369	4.5
247.16966	9.6
255.21129	4.1
261.18689	7.3
265.08432	7.0
267.21042	6.1
307.09720	27.4
325.10730	52.5
325.14233	5.9
393.31555	9.5
405.31430	14.2
407.32959	8.1
421.30869	4.2
423.32468	13.8
433.30566	5.1
439.32172	9.7
451.32077	18.2
455.60333	4.3
469.14886	19.9
487.19244	14.7
487.30228	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	487.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.1
55.01859	12.3
55.05503	11.5
57.07088	6.5
59.05000	4.7
67.05499	14.6
69.03424	2.9
69.07074	18.7
69.09885	29.4
70.25954	2.9
71.04977	4.5
79.05495	41.4
81.07066	32.8
83.04939	6.5
83.08619	9.5
84.35826	3.7
85.06542	6.5
87.04459	11.2
91.05477	25.5
93.07048	89.9
95.04966	5.1
95.08610	46.8
97.06521	20.8
97.10181	6.0
105.04562	4.0
105.07031	43.5
107.04922	5.3
107.08586	67.0
109.06525	8.6
109.10162	23.0
111.08081	27.3
117.07061	6.3
119.08582	40.6
121.06491	7.0
121.10146	81.5
122.10413	4.8
123.08064	9.3
123.11724	5.2
125.05992	9.7
125.09609	12.8
127.63941	3.1
129.28654	3.1
131.08601	9.8
133.10126	20.6
135.08096	8.4
135.11691	100.0
136.12003	4.0
137.09593	6.0
139.11156	21.2
143.08513	4.5
145.10135	11.8
147.11693	5.9
149.09659	18.1
149.13228	12.5
153.09103	10.2
153.12718	3.9
157.10059	3.7
159.11650	17.7
161.09659	5.1
161.13268	33.6
163.07542	3.2
163.11195	10.7
165.12721	5.5
167.10696	37.0
167.86060	3.3
173.13182	4.9
175.14844	4.2
177.09125	29.5
177.12735	9.2
177.16385	80.8
177.17928	4.2
178.16682	6.1
181.12155	3.9
187.14827	10.9
189.16414	11.8
191.10751	4.4
191.14372	6.7
193.16028	4.0
195.10165	32.0
201.13078	3.3
201.16402	15.0
205.12169	5.8
205.15945	7.3
207.17354	6.1
209.15393	5.9
219.13802	5.5
219.17458	14.0
221.11761	10.4
223.16971	5.5
233.15424	11.5
235.96820	3.3
237.14774	24.2
247.13222	4.2
249.14807	9.6
251.16426	77.3
252.16599	3.9
265.17975	9.6
275.16443	16.8
277.17975	5.2
279.15866	12.9
287.23715	5.5
293.17459	56.2
294.17712	6.6
303.19559	14.0
321.20358	7.0
352.65991	3.2
362.77386	3.1
371.25592	6.9
371.68716	3.3
423.28720	4.3
425.30414	14.7
443.31290	6.4
451.32135	14.7
469.33575	19.5
487.34872	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	487.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.6
55.01862	8.7
55.05510	47.6
57.03428	5.8
57.07067	10.6
58.95185	2.9
59.04996	4.7
67.05505	62.9
69.03418	5.5
69.07065	78.6
69.07384	3.3
69.07720	15.2
69.08141	12.5
71.04989	6.9
79.05492	58.8
81.03408	4.1
81.07052	93.6
83.04961	20.0
83.08605	21.2
85.06542	11.6
91.05476	39.8
93.07039	100.0
95.04951	9.6
95.08608	75.8
97.06527	28.3
97.10162	25.4
99.04428	2.9
99.08093	4.7
103.80315	2.7
105.07034	45.4
107.04926	4.6
107.08589	68.5
109.06515	12.2
109.10150	50.6
111.08055	9.0
111.11713	11.9
113.05927	2.8
117.07021	12.2
119.08572	48.1
120.08885	3.2
120.39413	2.8
121.06513	7.5
121.10138	69.0
122.10458	3.7
123.04441	4.4
123.08055	27.3
123.11687	13.7
125.06009	4.5
125.09626	14.6
129.06969	8.6
131.08566	23.1
133.10121	37.3
135.08067	9.5
135.11691	42.1
137.09592	18.7
137.13231	9.5
139.11165	33.9
143.08539	8.8
145.10126	24.5
147.08052	6.8
147.11694	25.5
149.09616	9.2
149.13266	13.9
151.07553	7.5
151.11168	8.5
153.09106	5.3
153.12752	12.6
155.08597	3.9
157.10132	11.0
157.12241	7.1
159.11690	21.0
161.09586	8.9
161.13246	18.0
163.11157	8.9
163.14827	9.8
165.09178	4.5
165.12755	7.9
167.10666	3.9
171.11691	12.1
173.09673	4.9
173.11894	3.7
173.13284	14.8
174.13518	3.3
175.11165	9.0
175.14828	22.3
177.12724	6.3
177.16452	5.4
179.10641	4.6
179.14351	4.3
181.12300	4.3
183.11768	3.9
185.13254	10.5
187.11226	5.5
187.14819	20.3
189.11220	8.3
189.12764	7.3
189.16351	14.9
191.14287	8.6
193.15823	3.8
195.13737	3.7
197.13196	7.6
199.14810	6.7
201.12778	6.9
201.16350	8.6
203.12668	5.8
203.14375	6.5
203.18094	4.8
205.12270	3.5
205.15933	10.1
207.13762	5.8
213.12830	3.4
213.16360	7.0
215.14355	3.7
215.18112	4.1
217.12241	4.1
217.15886	10.0
221.15315	5.0
225.16324	3.9
227.18150	3.6
231.21071	5.9
233.15343	3.2
235.16891	4.2
241.16110	3.3
241.19479	8.3
245.15382	4.6
249.22104	10.6
253.19492	4.6
259.20535	20.4
261.18762	3.7
271.20435	4.9
277.21609	73.6
295.22650	71.9
307.75714	3.3
309.24246	5.0
397.31229	4.1
415.32056	21.3
423.32864	6.2
424.33221	5.3
433.33093	29.6
441.33771	6.0
451.34061	24.9
469.28467	7.3
469.32977	19.0
487.34784	61.0
488.34503	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	488.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44329	0.2
52.15002	0.3
53.03950	0.8
55.01873	0.4
61.02903	0.2
65.03938	2.7
66.57348	0.2
67.81269	0.3
69.03423	1.6
70.17805	0.9
71.01350	0.3
71.04978	0.3
79.28886	0.2
81.03416	6.3
85.02910	1.9
93.03439	0.3
93.34768	0.2
95.04972	2.7
97.02896	2.2
98.72923	0.3
99.04466	0.7
109.02878	2.3
111.04428	1.8
114.09158	0.3
118.79948	0.3
121.02868	71.2
122.03173	2.1
127.03921	1.0
132.04451	9.3
137.05945	0.5
139.03909	6.4
145.04898	0.6
146.96019	0.3
160.03912	0.9
166.08601	0.4
178.04991	65.8
179.05362	2.3
188.03461	0.4
206.04488	100.0
207.04811	3.4
208.15182	0.3
210.71318	0.3
212.07375	0.3
213.07587	0.3
265.07071	7.9
276.83932	0.3
283.08051	1.5
312.25922	0.3
428.16553	0.3
488.11566	0.8
489.22910	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28082	0.3
53.03939	0.7
55.01887	0.4
55.05503	0.8
57.03436	0.7
58.50207	0.3
59.18910	0.3
62.82386	0.4
65.03934	2.1
67.05503	0.9
69.03431	2.2
69.07074	0.4
69.50232	0.3
71.04987	0.7
71.31766	0.7
73.02908	0.4
74.06094	0.4
79.05495	0.9
81.03425	2.9
81.07050	1.5
85.02898	3.3
91.05477	0.8
93.03410	0.4
93.07034	1.3
95.04972	0.5
95.08607	1.8
97.02872	2.2
97.06481	0.3
98.03233	0.3
99.04452	0.4
103.05450	0.7
105.07038	1.1
106.07466	0.3
107.08594	1.4
109.02880	1.6
109.06492	0.6
109.10159	1.4
111.04453	0.5
115.03947	0.3
119.08581	1.2
121.02863	40.5
121.10139	1.2
122.03210	0.9
123.04517	0.5
123.08073	0.6
125.02393	0.5
127.03909	1.6
131.04970	0.5
131.08562	0.6
132.04440	6.8
132.05350	0.6
133.10118	0.9
135.08058	0.4
135.11691	0.7
137.05968	1.4
137.09589	1.0
139.03899	3.1
141.09109	0.5
143.03386	0.5
145.04953	0.7
145.10139	0.7
147.04372	0.9
147.08002	0.4
147.11644	0.7
149.09608	0.5
149.13281	0.3
151.03880	0.6
151.07523	1.0
153.01823	0.7
157.10091	0.4
159.07994	0.5
159.11647	0.3
160.03972	0.5
161.04651	0.4
161.05957	0.8
161.13353	0.4
163.03763	0.3
163.07536	0.6
164.08257	1.0
165.09119	1.8
169.08621	0.8
169.10017	0.3
174.05563	0.3
175.07521	0.6
175.14771	0.5
178.04984	65.4
179.05295	2.2
179.06612	0.3
187.07443	0.6
203.07056	0.7
206.04477	100.0
207.04843	2.8
211.07988	0.3
265.06952	2.4
283.08160	0.4
285.10953	0.3
291.15228	0.4
325.10626	0.4
326.11005	0.4
327.08588	0.8
327.12277	1.1
346.72504	0.3
368.09766	0.4
387.56506	0.3
426.21860	0.7
487.21555	0.6
488.12537	1.6
488.21738	10.0
489.21970	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	488.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.1
55.01874	1.5
57.03426	2.4
69.03427	13.4
69.45254	7.6
71.04975	5.0
72.94898	1.1
73.02917	5.9
79.05463	1.6
81.03416	17.5
81.07056	2.1
83.56415	1.3
85.02904	64.1
87.04453	2.0
91.03954	1.3
93.07000	1.7
95.08621	1.2
97.02892	41.1
99.04453	39.6
103.03941	69.4
103.05441	2.2
103.61306	1.3
107.04940	1.7
107.08566	2.2
109.02879	19.4
109.10170	1.6
115.03941	1.8
123.04440	3.8
127.03912	100.0
128.04219	1.4
131.08679	1.3
135.08199	1.3
137.02376	2.3
137.05998	2.3
145.04958	59.4
147.04422	1.4
163.06023	28.5
163.07426	1.4
165.09109	3.1
169.05060	2.2
187.05994	5.1
197.05943	1.7
205.06987	1.5
231.10173	2.2
239.07133	1.8
243.06506	1.9
253.07176	2.0
255.06516	1.6
256.06845	2.2
271.08093	7.8
289.09109	3.5
307.10226	2.3
326.11362	1.8
345.07834	1.4
346.07791	3.3
378.10492	4.1
401.34976	1.2
470.13220	3.5
488.14102	6.3
489.13733	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.8
55.05523	7.2
57.07055	1.6
61.02918	3.0
67.05502	2.4
69.03427	8.0
69.07069	100.0
69.42119	8.0
71.04984	1.5
79.05508	1.1
81.03432	4.0
81.52265	1.5
83.08619	2.3
85.02905	29.6
86.09739	1.6
87.04470	8.4
91.03972	1.4
93.07063	1.5
95.05027	1.2
97.02899	6.3
99.04472	1.3
102.05544	1.6
105.05511	4.7
109.02892	3.5
109.06502	1.1
109.10143	3.1
109.33106	1.2
111.11717	34.5
116.07120	1.5
119.08573	1.4
121.06641	1.4
123.04469	1.7
127.03883	6.8
129.12743	14.9
137.05957	3.0
137.09604	1.6
139.03912	1.7
141.05409	1.4
141.56371	1.3
145.04985	10.3
147.10176	4.4
147.13797	67.9
151.03938	1.5
153.01828	1.4
153.05470	2.5
163.06046	3.5
181.04944	1.9
190.08939	1.1
191.08171	1.5
266.84546	1.3
308.14938	3.0
326.14252	2.9
334.18390	1.7
357.33707	1.3
396.06033	1.4
423.12860	4.1
472.11728	1.4
488.20618	3.6
489.19098	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	9.0
55.05512	38.7
56.86429	5.3
57.07077	10.7
59.04991	6.6
60.24805	6.2
67.05504	47.6
68.27490	5.0
69.03425	4.8
69.07066	40.0
70.19585	19.4
70.87439	5.2
71.04982	10.0
79.05478	39.3
80.05799	5.5
81.07054	75.2
82.07391	8.8
83.04962	11.7
83.08624	40.6
84.58401	5.7
85.06535	17.9
91.05480	39.1
92.88921	5.0
93.07038	73.9
94.07347	5.8
95.04975	11.6
95.08603	98.7
97.06527	17.1
97.09578	7.9
97.10159	47.7
99.08109	6.3
105.07029	71.2
107.08591	93.2
108.08948	7.1
109.06486	12.4
109.10153	73.4
111.04539	5.6
111.08076	14.7
111.11684	6.4
115.07574	5.9
117.07001	15.9
119.08575	92.7
121.06517	9.1
121.10143	75.6
122.10491	9.8
123.08073	22.1
123.11681	28.2
125.09606	16.4
129.06993	8.4
131.08568	44.7
133.10133	65.8
134.10490	5.6
135.08076	13.0
135.11693	47.5
137.09631	20.5
137.13287	11.2
143.08577	15.8
143.10657	27.9
145.10136	64.3
146.10500	7.2
147.11662	43.9
149.09674	11.1
149.13242	25.8
151.07518	7.8
151.11174	10.0
151.14830	6.8
153.09100	9.9
155.10762	6.0
157.10100	17.5
159.11674	61.6
161.09679	12.6
161.13281	30.2
163.11102	11.7
163.14828	15.1
165.09149	9.7
167.10678	9.8
168.37915	5.3
169.10089	7.2
171.11673	30.6
173.13249	34.3
175.07440	5.9
175.11186	8.7
175.14818	42.0
177.16335	10.6
179.10623	7.4
181.12201	10.4
183.11719	9.2
185.13251	18.1
187.14824	100.0
188.15172	7.6
189.16331	35.7
191.14336	12.3
193.15880	23.2
199.14838	23.0
201.12679	8.8
201.16389	55.5
203.10655	8.9
203.14290	7.3
203.17938	18.5
205.11942	6.3
205.15912	13.2
207.17462	20.0
211.14882	7.9
211.16928	15.0
213.16368	22.3
215.17952	55.5
216.18271	5.8
217.15900	9.6
219.13737	6.0
223.16945	5.9
225.16423	9.3
227.18002	12.2
229.19513	7.9
233.15407	29.3
233.18913	9.9
235.16980	15.6
241.19513	10.2
245.15205	6.9
247.16969	8.4
247.99420	5.1
249.18539	9.0
258.12759	5.0
261.18497	25.7
280.69556	5.8
283.24088	26.8
285.18124	5.5
319.24176	6.2
329.24680	19.8
330.25479	5.9
379.30450	6.1
389.31830	6.0
407.33130	46.0
408.33890	9.0
409.34610	7.7
425.34280	87.8
435.33246	29.6
453.34106	40.6
470.38513	6.5
471.35205	33.9
488.29895	7.2
488.34628	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	488.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.5
55.05518	19.7
57.07065	31.2
60.04539	7.5
67.05494	41.6
69.07060	34.1
69.58944	29.2
69.59349	14.6
71.04993	10.7
72.02192	7.5
79.05483	30.6
81.07050	68.9
83.08602	19.3
85.06529	11.7
87.77137	7.4
90.81160	7.0
91.05483	26.1
93.07037	49.0
95.04980	15.6
95.08605	100.0
97.06509	8.0
97.10149	9.1
98.22604	7.5
105.07014	44.0
107.08591	72.7
109.06492	10.0
109.10159	45.6
111.08107	10.6
117.06972	11.0
119.08569	71.4
121.10138	59.3
123.11700	19.4
125.09666	9.6
127.11201	12.5
131.08563	23.2
132.09007	8.5
133.10094	38.9
135.08095	12.7
135.11691	36.2
137.09630	15.8
137.13284	7.4
143.08557	9.4
145.10144	33.3
147.11690	38.2
149.09543	9.1
149.13269	23.5
157.10114	20.5
159.11684	33.8
161.13232	22.7
163.11292	7.1
163.14813	18.3
171.11641	21.3
173.13237	14.3
175.11150	10.2
175.14839	29.3
177.12595	7.7
177.16350	17.7
183.11620	12.3
185.13309	8.3
185.54665	7.8
187.14825	26.1
189.16341	29.3
199.14661	10.1
201.16362	12.7
203.14172	8.3
203.17932	30.8
205.15884	13.8
206.16367	8.3
208.16841	10.0
213.16435	10.1
215.17995	12.4
217.15599	11.2
219.17386	8.0
235.16902	8.8
241.19315	8.9
247.16983	10.3
257.95074	7.6
261.18448	14.7
265.19492	7.9
324.18008	7.7
407.32996	14.5
423.32416	16.4
424.33182	9.0
425.34418	11.5
435.32175	25.2
452.37247	15.5
453.33612	22.2
470.38297	32.0
489.29568	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	488.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08994	5.7
55.05495	31.7
57.07082	11.9
60.27227	5.0
60.39751	5.7
67.05512	28.4
69.07064	30.5
69.14155	25.1
69.14588	26.5
79.05502	18.8
81.07047	63.2
83.05025	5.7
83.08630	33.8
89.53272	5.1
91.05473	34.3
93.07027	38.7
95.04970	11.1
95.08603	59.2
97.06517	8.5
97.10157	39.0
103.05469	13.2
105.07034	41.3
107.04925	5.6
107.08594	67.5
109.10153	42.5
111.08091	8.4
115.05421	13.4
117.07011	14.2
119.04914	12.0
119.08591	51.0
121.06507	9.4
121.10152	51.7
122.03634	6.6
123.08051	13.3
123.11730	14.8
125.09635	8.7
129.07037	11.3
131.04948	10.4
131.08553	38.8
133.10114	34.1
135.08041	6.8
135.11638	26.0
137.05988	52.1
137.09654	6.7
141.07077	6.7
143.08591	18.5
143.10724	23.2
145.06500	13.0
145.10110	44.5
147.04410	11.6
147.11656	33.9
149.09662	9.3
149.13264	18.1
151.07550	33.7
151.14821	12.6
157.10141	9.6
159.11717	32.9
161.09625	8.8
161.13286	13.3
162.06801	27.2
163.07550	15.2
163.11301	7.5
163.14903	18.9
165.09236	7.2
171.08043	8.0
171.11610	11.8
173.13228	29.4
175.07611	14.6
175.11224	7.2
175.14853	31.4
176.08366	8.5
177.09148	20.0
177.12833	6.8
177.16418	16.4
179.10709	5.9
183.11803	7.1
185.13226	11.0
187.14825	77.1
188.08357	24.8
189.09114	6.5
189.16341	29.1
191.10635	39.0
193.15955	19.0
199.14780	16.5
201.16411	55.0
203.10684	69.5
203.17976	16.1
204.18484	6.7
205.09926	5.6
205.15932	11.7
207.17537	16.3
213.16426	16.6
215.14604	6.7
215.17963	57.6
223.16884	6.1
224.73303	6.1
227.17912	8.1
229.19539	18.5
233.15456	11.3
235.16982	8.6
239.17955	7.8
247.16998	11.5
252.07634	7.8
255.21118	9.3
261.18549	22.5
262.19272	6.5
269.08148	7.5
278.09384	8.3
283.24255	17.2
284.10397	9.5
293.11816	10.1
311.12894	9.5
324.13583	7.8
325.14273	12.9
329.24799	24.7
365.17651	7.3
379.25549	8.2
389.31848	12.4
407.33142	54.9
424.35413	8.8
425.34222	100.0
426.34827	7.0
435.32788	31.3
448.18784	13.4
453.33789	43.9
454.33698	8.0
471.34677	17.4
488.34686	5.7
489.22598	22.8
489.30029	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	488.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.5
57.03440	6.6
57.03675	1.2
57.07073	9.0
58.06596	43.8
59.07381	10.7
60.08161	14.8
67.05509	7.8
69.07069	2.6
69.68949	2.3
69.69334	2.2
71.08625	8.0
73.02916	1.2
75.04475	4.7
79.05507	1.7
81.07054	7.5
83.08607	3.9
85.02911	2.9
85.10164	3.3
87.04466	6.7
91.05466	3.0
93.07016	4.8
95.08592	8.5
97.10178	2.0
103.03943	1.0
105.05473	1.2
105.07018	2.1
107.08570	2.6
109.10149	6.6
111.08063	1.1
113.06021	1.5
117.03362	1.1
119.08576	2.8
121.10123	3.4
123.11701	2.2
131.07085	1.6
133.10104	1.7
135.11719	1.6
135.24138	1.2
144.10184	9.0
145.02823	1.4
145.10190	1.7
147.11685	1.4
154.95177	1.1
162.11205	1.3
171.10306	1.0
173.13100	1.3
176.05121	1.1
177.05513	1.7
177.87962	1.1
192.36256	1.1
199.04535	1.2
200.12878	1.2
213.90619	1.1
215.82397	1.0
236.14915	93.2
237.15262	3.2
287.22119	1.1
307.94205	1.0
470.38409	26.8
471.38760	2.1
488.39441	100.0
489.31232	2.1
489.40955	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	489.1387
Annotation	venturamide A
Peak:m/z	Relative Intensity
50.71052	0.3
53.03944	0.6
55.01856	0.4
55.05493	0.8
57.03426	0.7
65.03925	0.5
67.05492	0.8
69.03402	0.3
69.07050	0.8
71.11515	0.4
79.05465	1.0
81.03420	2.4
81.07036	1.3
85.02894	1.0
91.05466	1.7
93.07027	1.7
95.04961	1.0
95.08572	1.5
103.05438	1.0
105.07009	1.8
107.04977	0.8
107.08575	1.5
109.02863	0.6
109.06503	0.6
109.76692	0.3
111.08038	0.5
115.05431	0.7
117.07005	0.6
118.04136	0.5
119.04884	0.5
119.08538	1.2
121.02866	4.3
121.10110	1.4
122.03624	0.9
131.04929	1.0
131.08562	0.7
133.06496	4.8
133.10115	1.2
135.04407	4.3
135.11671	0.6
137.05971	5.8
143.08528	0.5
145.06453	1.2
145.10114	1.4
147.04430	0.6
147.08029	0.5
147.11674	0.8
149.02325	3.1
151.03844	0.6
151.07529	1.4
157.10240	0.7
159.04393	1.3
159.11717	1.2
161.05981	1.7
163.07498	1.5
165.05565	0.4
165.09116	0.6
167.03366	0.8
167.07037	3.0
169.04955	0.4
169.10098	0.5
171.11610	0.7
173.05965	1.7
175.07558	0.6
179.03377	10.8
180.03592	0.4
181.04955	2.3
185.05951	0.4
185.13269	0.6
187.14722	0.5
189.05440	0.4
189.12564	0.4
191.06970	1.8
197.04468	2.6
197.09569	0.4
201.05414	0.6
201.12631	0.4
211.14827	0.4
217.04707	0.3
219.02895	0.4
219.06448	0.8
221.04347	0.4
225.08995	0.8
227.18027	0.4
238.06146	0.9
240.07779	0.5
242.02097	0.6
253.08650	0.7
256.07278	1.2
257.04477	1.1
266.05624	2.4
267.06381	0.4
268.07254	2.3
269.08017	1.1
275.05463	0.5
279.10086	0.4
280.07190	0.6
281.08066	23.5
282.08572	1.7
283.09644	1.3
284.06723	1.0
290.09116	0.4
291.10001	0.4
293.07870	0.6
294.08875	0.8
295.06079	0.6
295.09586	0.7
296.06738	4.6
297.07553	1.1
298.08337	1.5
299.09134	5.5
299.12628	0.7
300.37787	0.5
305.07904	0.5
306.09058	0.9
307.09653	1.4
308.06729	1.7
308.10358	1.1
309.07568	1.4
309.10898	0.7
310.07843	0.4
311.09094	100.0
312.09451	7.1
312.12976	0.2
318.08914	1.1
319.09555	0.6
320.10455	0.4
321.07526	1.9
321.10953	0.7
322.08121	1.1
323.08990	2.0
323.12637	0.7
325.07150	0.4
325.10696	3.8
326.11026	0.4
333.07782	0.4
333.10980	2.0
334.08301	1.0
335.09048	1.1
335.12769	0.5
336.09839	3.8
337.10608	2.1
341.10193	3.7
349.10651	1.4
351.08670	0.8
351.12222	15.6
352.12698	1.1
353.10187	1.0
361.10562	1.7
365.10110	1.0
369.11108	0.5
374.07553	0.9
377.10150	7.5
379.11612	1.9
389.10132	6.6
390.10626	0.5
391.11816	0.6
393.09573	0.5
395.11227	16.5
396.11597	0.8
407.11209	10.7
408.11600	0.6
425.12241	11.6
425.85611	0.3
426.12759	0.7
443.13391	6.8
453.33701	1.0
459.16885	0.5
471.12759	5.0
471.18161	0.6
471.30875	0.5
489.13791	53.8
490.14001	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	489.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96548	3.5
58.99877	1.4
69.03437	1.5
70.76585	3.7
78.04680	1.5
79.57259	1.2
81.03411	2.1
85.02936	1.3
97.02862	3.1
98.53792	1.3
98.97575	6.2
100.00087	3.1
101.00865	6.6
109.02856	1.9
110.97556	2.3
113.00878	3.4
118.01135	7.4
119.01917	8.0
121.06500	2.0
123.04424	2.1
131.01924	6.6
132.02618	1.4
141.06839	1.2
141.37701	1.4
142.01094	6.1
143.00084	1.3
143.01900	8.2
144.02744	1.6
145.03456	5.5
154.01105	2.2
155.01901	5.5
156.02650	5.3
157.03458	3.0
160.02213	3.9
161.02953	8.9
163.07555	1.6
167.07037	46.6
168.02708	3.5
172.02191	2.3
173.02948	5.1
175.02597	1.5
177.05452	5.9
178.01021	3.1
184.02147	3.5
185.02946	4.0
186.03754	3.9
191.07013	2.1
196.02174	10.4
197.02924	4.2
203.04010	5.8
207.05026	6.2
211.04475	18.1
219.01746	2.4
221.02928	3.1
221.05081	7.5
223.04517	3.2
224.05272	5.0
225.06081	38.0
226.03262	3.6
226.06461	2.0
229.05643	8.4
234.03668	5.1
235.04555	4.3
237.02667	4.1
240.04915	2.2
243.07124	5.9
244.04282	95.1
245.04878	7.5
246.03793	2.4
247.04539	3.5
248.05257	4.4
249.06070	41.5
250.06332	2.9
251.03998	3.9
252.04823	9.8
253.05518	7.1
259.04633	2.0
261.06049	8.9
262.05292	11.6
263.07809	2.6
264.04758	1.6
265.05533	4.6
266.06357	7.5
267.07162	48.5
267.10019	2.5
268.07504	2.5
270.05969	2.9
271.04529	2.0
274.06812	4.7
275.07385	2.0
276.04825	5.7
277.05496	4.9
278.06119	2.1
279.07135	10.6
280.07864	1.7
285.08258	2.5
289.05536	10.4
290.06198	2.7
291.07086	18.1
292.07578	3.9
293.08682	2.3
294.05826	12.4
295.06296	2.2
297.08380	2.7
302.06277	1.5
303.07037	3.9
306.05725	1.8
308.07373	2.6
309.08185	33.3
310.08578	2.1
318.05811	1.9
321.08182	10.3
327.09265	5.0
330.05753	2.9
337.07700	14.2
338.08200	1.6
339.09299	9.2
348.07306	2.3
350.08493	1.9
351.09256	50.9
352.09351	4.0
353.10651	2.3
355.08743	1.7
363.09122	2.8
366.07846	1.8
369.10294	4.7
373.04483	1.3
378.07953	46.1
379.08292	3.7
381.10117	2.7
393.10336	40.5
394.10468	4.2
396.08884	8.3
399.11142	1.7
411.11356	100.0
412.11691	8.7
429.12436	36.5
430.12714	3.0
471.08783	1.3
471.13721	14.7
472.13559	1.8
489.14978	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	489.1542
Annotation	Betulifol B
Peak:m/z	Relative Intensity
51.92546	0.6
53.03942	1.6
55.01857	1.5
65.03907	1.0
67.05499	1.0
68.99783	4.0
69.03409	0.8
69.07046	0.7
71.01337	1.0
71.32938	0.7
77.03928	1.1
79.05486	2.2
81.03426	0.9
81.07051	2.7
83.04939	0.6
85.02893	3.6
89.03915	1.8
91.05486	4.2
93.07054	1.5
95.04958	3.2
95.08585	1.8
103.05475	1.2
105.04501	1.0
105.07028	2.1
107.04948	100.0
107.08566	1.8
108.05281	2.1
109.10144	2.6
111.04456	0.8
115.05433	1.6
117.03361	2.8
117.07009	0.8
119.04944	2.2
119.08593	1.2
121.02858	1.3
121.06461	1.2
121.10126	1.1
123.04421	20.3
131.04915	2.1
131.08521	0.8
131.17697	0.6
133.06473	1.4
133.10156	0.9
135.04399	8.2
137.02330	6.0
137.05971	7.3
137.09613	2.2
139.03906	3.0
141.06915	0.6
145.02811	3.0
145.06493	2.1
145.10094	0.7
147.04398	38.2
149.05957	16.5
149.07150	0.8
151.03760	0.7
153.06990	1.6
155.10664	0.6
159.04445	0.8
160.05196	3.5
161.05957	9.0
162.06345	0.6
163.03893	53.1
163.07487	1.5
164.04324	3.8
165.05496	1.3
165.06937	1.4
165.09105	11.8
167.07150	0.7
167.08542	1.4
168.04367	0.6
169.06476	0.9
171.50618	0.6
173.05975	7.9
175.03871	10.3
175.07571	2.2
176.04440	0.6
177.05479	1.6
177.06947	1.4
181.04979	1.0
181.06499	4.0
185.05920	1.3
187.03874	1.5
187.07529	1.1
188.04494	0.7
189.05484	5.3
191.07056	1.5
191.08640	0.8
195.08064	4.2
195.09978	0.8
197.05960	4.3
199.07552	3.8
201.05440	7.6
202.06114	0.7
205.03188	0.6
205.04874	2.3
205.06581	4.2
206.05640	1.0
211.07506	1.6
213.05489	1.6
213.09035	1.5
215.06923	1.3
217.04855	0.8
219.08073	1.2
221.05942	7.6
222.06497	0.7
223.07523	18.7
224.07965	1.1
225.05475	4.2
226.06172	2.1
227.06984	2.6
227.91536	0.6
229.04927	2.6
229.08569	1.2
231.06435	0.8
233.05888	1.4
235.07513	2.9
237.05443	0.8
237.09047	0.9
239.07088	1.7
241.08617	3.0
242.05702	1.0
243.06403	4.8
247.07611	3.8
249.05486	6.5
249.09250	0.8
250.06160	1.5
251.07011	13.9
252.07678	2.5
255.06464	1.0
260.49905	0.6
261.09039	1.5
263.06946	1.9
264.07471	0.8
265.08618	4.2
266.05707	1.0
267.06491	4.0
267.10120	0.9
268.06967	1.0
269.08060	76.6
270.08408	4.7
271.07562	0.7
275.07101	0.8
277.04929	3.8
277.08072	1.1
278.05817	0.9
279.06476	10.1
280.07111	1.1
281.08066	4.0
283.09619	10.2
285.07336	1.0
289.08575	2.6
292.07257	1.3
293.07977	8.4
294.08673	0.9
295.05997	35.7
296.06445	3.0
299.09149	1.4
301.08286	0.8
307.06268	1.1
307.09625	4.6
309.07523	3.6
309.10956	1.2
311.09106	40.0
312.09436	3.6
317.07990	1.6
319.09686	1.1
323.09268	1.4
325.10760	1.3
327.03317	1.6
335.09161	10.1
337.10663	2.8
353.10156	64.6
354.10413	5.4
365.10431	3.1
383.11237	4.8
413.09842	1.0
429.13794	0.7
461.32834	0.7
471.14340	2.6
489.15356	18.7
489.21979	1.0
489.32858	1.0
490.15717	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	489.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04688	0.9
52.58989	0.8
53.61853	0.9
55.05512	3.2
57.03435	1.5
59.16559	1.1
61.46757	0.9
65.03948	2.0
67.05501	7.7
69.03432	2.0
69.06721	1.0
69.07076	3.9
69.32294	6.8
71.04993	2.2
79.05489	7.2
81.07052	8.2
83.08607	1.8
89.03927	0.9
91.05479	34.8
93.07053	8.2
94.04205	2.9
95.04967	5.9
95.08622	6.7
97.06552	2.1
97.10156	1.3
98.22614	1.8
98.98499	2.1
103.05474	14.4
103.17613	1.1
105.07043	10.2
107.04919	6.3
107.08608	5.3
109.06522	3.8
109.10150	11.1
113.06001	1.5
115.05465	3.3
115.17314	1.1
117.07014	7.1
119.04945	20.4
119.08587	6.8
121.06527	2.8
121.10123	5.2
122.03671	8.2
123.04420	1.7
123.08042	2.1
123.11713	1.9
127.11204	1.6
128.06212	8.5
129.06993	6.4
130.07782	1.7
131.04919	9.1
131.08577	6.8
133.06450	5.8
133.10139	4.9
135.08078	3.0
135.11693	4.3
136.05215	1.7
137.05978	100.0
138.06316	2.6
139.07607	1.0
141.07021	1.6
141.91272	0.9
142.07791	0.9
143.04990	1.7
143.08568	20.1
145.06488	7.3
145.10150	8.0
147.04401	1.4
147.08025	2.4
147.11716	2.8
148.02338	0.9
148.05173	5.4
149.06006	3.6
149.09633	2.2
149.13248	1.7
151.03920	2.7
151.07542	81.5
152.07896	2.7
155.08591	2.1
157.06567	4.8
157.10077	1.4
158.07237	5.4
159.08035	5.0
159.11711	2.8
160.08871	1.4
161.06056	1.6
161.09644	2.2
161.13271	2.7
162.06818	1.6
163.07564	14.5
163.11230	2.4
163.14812	2.0
164.08243	1.7
165.09106	15.4
166.07785	1.2
170.10991	1.3
171.06586	1.2
171.08051	25.6
171.11674	1.4
172.08737	3.7
173.06023	3.8
173.09622	7.5
173.13242	1.8
174.06764	5.4
175.07562	9.8
175.11186	2.1
175.14816	2.1
177.05521	2.0
177.09122	2.5
178.07793	1.3
178.09869	1.1
181.06438	1.1
181.10152	4.8
183.11662	1.3
185.09618	1.2
185.13255	1.9
187.07576	3.2
187.11168	1.2
188.08319	21.8
189.09102	16.6
189.12772	1.3
190.09441	1.4
191.07030	1.3
191.10689	4.1
195.08112	1.1
197.09575	1.4
201.09056	10.7
201.16399	1.2
202.09921	2.2
203.10669	66.4
203.17883	1.7
204.11008	2.3
205.08591	1.4
205.12259	1.3
207.07994	2.4
207.17271	1.3
209.09650	13.4
210.10202	2.2
211.07553	4.8
213.12772	1.5
213.16222	1.0
215.10719	1.2
217.12253	2.9
219.10173	3.1
223.07468	1.0
224.08365	1.7
225.09161	2.4
226.09856	8.8
227.07030	1.5
232.08813	1.4
233.09642	1.7
235.07495	2.7
237.11281	5.6
239.10800	2.2
241.12239	53.9
242.12631	3.3
245.11694	2.5
249.09090	2.4
251.07060	2.2
258.10315	1.7
259.09747	1.6
261.22034	1.5
263.12854	9.1
265.14352	1.3
266.09418	1.2
267.10159	3.2
269.08112	3.0
273.12708	2.3
275.10648	2.4
277.08609	1.4
278.09335	1.1
279.12430	5.7
281.11752	2.6
284.10376	1.2
291.10010	1.1
293.08661	1.2
293.11569	4.8
294.08832	3.0
295.09622	1.4
299.12802	20.0
299.16125	1.8
300.13345	1.5
301.12323	3.0
302.12848	1.2
303.10025	2.5
307.09518	1.2
309.11151	2.3
311.12769	7.6
313.10703	1.3
313.14334	24.8
314.14563	1.8
318.12555	2.3
319.13083	2.3
321.11252	2.3
325.14340	7.8
327.15955	2.5
333.14856	9.4
334.15479	1.5
335.12912	1.6
343.37527	1.0
350.15015	2.1
351.15900	2.3
365.17505	19.3
365.24338	1.1
366.18005	2.1
426.34656	1.1
443.31216	1.3
453.18961	2.2
471.19983	3.6
489.18155	8.5
489.22714	17.5
489.35248	1.4
490.22830	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52627	0.7
55.05499	2.3
56.05821	0.9
57.03410	0.8
57.07075	1.2
65.03936	2.2
65.57589	0.7
67.05494	3.9
69.03411	1.9
69.07051	2.8
69.54330	4.8
69.54650	0.9
71.04993	0.9
78.42474	0.8
79.05489	5.5
81.07050	8.1
82.07382	2.5
83.04980	2.8
83.08577	1.6
87.04478	0.7
91.05471	33.0
92.05799	2.0
93.07036	5.8
94.04169	4.2
94.07360	1.0
95.04961	5.7
95.08601	7.5
96.08945	2.6
97.06519	1.3
98.23290	1.3
103.05452	7.9
105.07022	12.5
106.07402	4.0
106.08031	0.7
107.04930	5.0
107.08585	8.2
108.08923	3.0
109.06508	3.0
109.10160	4.8
110.10492	2.3
111.08089	1.6
115.05453	3.0
117.07016	4.2
119.04941	17.7
119.08566	9.9
120.08913	5.3
121.06503	3.5
121.10116	7.3
122.03618	8.1
122.10482	3.3
123.04363	1.0
123.08060	1.6
123.11660	1.6
124.12041	1.3
125.05960	0.9
128.06192	5.6
129.06982	6.0
131.04898	6.9
131.08580	4.2
132.05717	1.9
132.08943	0.9
133.06482	3.2
133.07408	0.8
133.10127	8.6
134.03555	0.8
134.10471	5.0
135.08078	2.8
135.11670	4.3
136.05180	2.3
136.12068	1.7
137.05965	100.0
138.06313	2.9
139.07553	1.0
141.06992	1.8
143.04953	0.9
143.08545	17.9
144.05766	0.8
144.08888	1.1
145.06477	7.1
145.10115	7.3
146.07184	1.5
146.10483	1.5
147.04375	1.3
147.08058	3.0
147.11681	4.2
148.05202	1.7
148.12029	2.2
149.05972	3.0
149.09616	1.3
149.13254	0.9
150.13531	1.0
151.07529	78.1
152.07883	1.9
153.09071	0.8
155.08565	2.3
156.08951	1.2
157.06508	2.5
157.10086	3.3
158.07263	3.5
159.08026	2.5
159.11678	2.8
160.05179	2.8
160.08818	2.3
160.11998	1.2
161.05988	1.6
161.09634	2.8
161.13266	1.6
162.09898	1.4
163.07561	8.1
163.14819	1.8
164.08235	1.6
165.09094	11.7
166.07861	1.0
169.09979	1.0
170.10562	1.2
171.06558	1.0
171.08046	17.9
171.11688	2.5
172.08772	3.1
173.05962	2.9
173.09637	4.5
173.13271	3.3
174.06725	3.7
174.13603	2.3
175.07533	27.2
175.11160	2.9
175.14882	4.8
176.07845	1.3
176.15126	3.6
177.09111	1.3
177.15439	1.7
178.12894	1.0
179.08582	1.5
181.06395	1.1
181.10098	1.7
183.07970	1.4
183.11627	1.3
184.11929	0.8
185.09625	1.2
187.11188	1.0
187.14859	2.5
188.08304	21.8
188.09903	1.4
188.15186	2.7
189.09082	31.8
189.12729	1.9
189.16455	6.2
190.16713	7.4
191.10654	1.9
191.17073	1.6
193.08606	2.7
195.08034	1.4
197.09602	1.3
197.13269	1.3
198.10382	1.1
198.13626	1.8
199.11180	0.8
199.14848	2.5
200.15207	2.8
201.09053	7.9
201.16528	0.9
202.09871	1.3
202.16589	0.9
203.10652	63.1
203.17838	0.9
204.11029	3.1
204.14468	0.8
205.12254	1.9
207.08044	0.8
209.09622	3.1
210.10349	3.1
211.07556	4.6
212.08412	1.2
213.09064	1.7
213.12759	2.1
213.16550	0.9
214.16745	1.1
215.14293	2.4
216.14716	1.6
217.12276	7.5
217.15846	2.6
218.16206	3.8
219.10207	0.9
219.16451	1.6
223.07506	1.3
224.08469	0.9
224.17471	0.8
226.06300	1.1
226.09845	10.9
227.10588	2.5
228.18184	1.0
229.12248	1.4
230.09364	1.0
233.09647	0.9
233.11729	1.1
233.15320	1.2
234.15636	1.3
235.07616	1.9
236.17229	2.2
237.11209	1.9
239.10706	1.6
241.08513	1.9
241.12218	33.7
242.12518	1.7
245.11668	10.0
249.09247	1.3
251.07135	1.2
252.07645	1.0
255.20084	1.5
261.11194	1.2
263.07028	1.1
263.12784	35.3
264.13205	1.3
265.12347	1.3
267.10196	0.9
269.08105	3.5
271.20566	1.3
272.20914	2.6
273.12793	1.4
273.21188	1.3
275.10620	1.9
277.08609	1.3
278.09390	1.4
279.12506	1.3
281.11707	2.4
293.11703	2.5
297.11267	2.7
299.12720	11.7
303.10001	1.6
307.09695	1.8
309.11176	1.1
311.12790	0.8
313.14334	16.1
314.14627	1.5
321.11194	2.4
323.12473	1.0
325.14380	9.5
326.14468	1.2
327.15918	2.1
333.14813	4.1
336.13657	1.1
351.15979	1.6
352.16714	1.6
365.17447	16.5
407.32239	2.4
425.33173	3.3
435.31641	1.0
437.67172	0.8
441.32941	1.0
442.33780	1.2
443.34558	5.9
453.33054	4.0
471.20001	1.1
471.33969	3.8
488.34659	6.9
489.23297	22.9
489.34760	94.9
490.23166	2.9
490.34784	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.4
53.46918	0.9
55.01854	1.0
55.05495	3.1
57.07082	1.8
65.03931	3.0
67.05502	12.5
69.07070	2.2
69.11345	1.6
69.11739	8.4
71.04994	1.7
79.05494	7.5
81.07057	6.8
83.08619	2.2
91.05477	30.9
93.07047	6.5
94.04157	3.2
95.04958	4.4
95.08620	4.4
97.06531	2.0
97.10156	1.5
102.18976	0.9
103.05468	19.4
105.07028	10.9
107.04959	11.4
107.08598	5.4
109.06509	4.3
109.10178	6.7
111.08075	1.1
111.11609	0.9
115.05450	11.4
116.06235	2.9
117.07018	12.5
119.04955	8.7
119.05814	1.3
119.08577	6.4
121.06511	10.3
121.10122	2.3
121.53915	1.0
122.03651	5.2
123.04428	1.1
123.11699	1.7
125.09590	1.2
128.06218	17.6
129.07022	6.0
130.07785	1.0
131.04924	14.4
131.08557	18.7
132.05705	1.9
133.06506	3.8
133.10121	2.4
134.64110	1.0
135.04408	1.4
135.08037	4.2
135.11720	2.3
136.05183	1.1
136.70436	1.0
137.05968	60.0
141.06992	3.3
142.07785	0.9
143.04915	1.1
143.08548	20.4
144.05684	3.0
144.08865	1.0
145.06490	18.8
145.10117	3.6
146.07275	10.2
147.04382	1.8
147.08029	2.9
147.11630	2.0
148.05202	5.5
149.05983	5.0
149.09593	3.6
149.13274	0.9
151.03929	3.1
151.07542	35.7
151.08762	2.2
153.06934	1.2
155.06129	1.9
157.06480	3.7
157.10089	1.7
158.07245	3.1
159.08046	13.1
159.11734	1.3
160.05177	1.3
160.08823	2.6
161.05962	6.0
161.09627	11.4
161.13249	1.1
162.06836	5.0
163.07529	20.9
165.09114	5.5
167.03362	1.3
167.10649	1.0
169.06480	2.6
171.08043	24.0
171.09456	1.9
172.08577	1.8
173.05998	7.1
173.09593	2.2
173.11700	1.9
174.06755	4.0
175.07549	19.8
175.11143	4.1
176.08289	9.8
177.09099	21.8
178.09419	1.1
179.08588	2.1
183.08086	1.4
185.05879	1.4
186.06778	3.9
187.07533	8.6
188.08321	40.7
189.07335	1.5
189.09061	9.6
190.07771	2.4
190.09473	0.9
191.10663	55.5
192.10966	2.6
193.12170	1.6
195.08018	1.0
201.09067	4.8
202.09981	0.9
203.10661	100.0
204.11067	4.3
205.10240	1.9
205.12241	2.9
207.08061	2.3
207.09927	1.3
211.07515	2.0
213.09038	1.2
215.08682	1.3
217.12254	1.4
218.07280	2.7
219.07968	1.5
225.09070	1.7
231.07953	1.1
232.08955	1.5
233.09679	5.2
234.06750	1.1
235.07500	3.6
237.05414	0.9
237.14857	1.6
239.10622	2.4
241.08693	1.0
241.12088	1.2
243.10036	1.4
247.07487	1.3
247.11304	1.6
248.08070	1.2
249.09082	2.8
249.11314	1.1
250.09995	2.1
251.06746	1.3
253.08429	1.7
253.10698	1.9
261.09085	6.0
263.07126	1.6
263.10797	1.1
265.08621	1.9
265.12210	2.8
266.09427	2.2
267.10229	2.8
271.09610	1.1
273.12570	2.1
275.10544	4.4
277.08545	1.7
277.14395	3.1
278.09448	2.7
279.10107	2.9
281.08109	1.6
281.11490	2.1
287.12872	1.3
289.08502	0.9
291.10043	2.4
291.15909	3.1
293.11755	6.3
295.09567	1.4
297.11130	3.8
299.12759	8.8
301.12082	2.3
305.11844	1.3
309.11230	1.9
310.12009	2.6
311.12762	4.6
312.13373	1.2
313.14569	4.7
318.12549	1.7
319.13058	1.5
321.11176	3.0
323.12634	1.5
325.14346	14.6
326.14847	2.8
327.15732	2.3
333.14835	6.8
336.13446	1.4
351.15656	1.1
352.16446	1.1
365.17441	7.2
460.18542	1.6
471.35309	1.2
489.15903	1.6
489.22821	28.1
489.29697	3.0
489.35419	4.2
490.23077	2.6
510.38925	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88498	3.2
55.01867	6.2
55.05510	8.7
57.07053	5.4
61.20526	3.5
67.05517	18.6
69.07083	8.5
69.13443	11.4
69.13857	17.3
79.05496	10.5
81.07059	17.2
83.08624	8.3
91.05469	36.9
93.07042	12.2
94.04213	4.1
95.04959	6.6
95.08635	16.9
95.09142	3.4
97.10184	3.8
103.05464	27.4
105.06998	22.1
107.04927	7.5
107.08590	11.6
108.08935	3.8
109.06540	7.2
109.10143	17.2
111.54385	3.5
115.05447	14.0
116.06228	3.6
117.07008	13.4
119.04939	16.0
119.08553	17.8
121.06530	5.8
121.10136	12.3
122.03673	5.0
123.07996	3.7
123.11698	5.9
125.09552	3.6
128.06233	10.9
129.07021	4.4
131.04932	17.9
131.08559	13.9
133.06462	8.5
133.10153	7.0
135.08102	6.2
135.11658	6.3
137.05980	86.4
143.04912	5.0
143.08566	14.1
144.05682	7.1
145.06488	17.8
145.10106	5.6
147.04416	11.8
147.08035	5.0
147.11702	4.1
148.05191	5.9
149.05989	7.3
149.09621	4.5
150.06734	5.7
151.03952	4.0
151.07558	53.7
157.10086	4.4
159.08044	7.7
159.11681	4.3
161.05930	17.5
161.09592	7.2
161.13303	5.0
162.06757	63.2
163.07558	23.1
163.14745	4.8
165.09103	9.6
171.08003	19.4
173.05989	11.0
175.07570	19.1
175.11214	5.2
175.14790	4.5
176.08299	6.6
177.09126	35.8
181.06419	4.4
187.07520	15.2
187.14902	4.6
188.08342	38.5
188.15092	4.6
189.09094	9.1
189.16411	5.9
191.10655	81.6
195.08066	4.2
201.09113	6.8
201.16388	4.7
203.10658	100.0
204.11061	4.7
211.07640	4.2
221.06174	5.0
224.08414	5.7
235.07527	5.7
241.08606	6.2
249.09129	4.8
251.07007	5.5
253.08495	4.7
261.08994	4.5
265.08508	5.2
265.12314	4.5
269.07965	9.5
270.08917	4.2
277.08316	3.4
278.09546	4.1
279.10129	5.1
284.10309	23.7
291.10028	4.6
293.11606	17.3
295.09622	4.6
297.11172	4.8
299.12723	11.6
309.11435	6.1
311.12851	7.3
313.14331	5.8
324.13623	10.4
325.14349	19.9
326.14828	4.6
333.14798	7.4
340.53342	3.7
351.15948	10.6
365.17429	11.8
426.34430	4.4
448.18579	17.3
454.33765	5.2
489.22604	25.9
489.30234	15.0
490.22824	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	489.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	6.6
57.07080	7.3
67.05502	17.9
69.07069	6.4
71.31358	2.4
79.05505	4.7
81.07063	9.5
83.01347	3.7
83.08601	2.7
85.06548	4.2
87.19236	1.9
89.70216	2.1
91.05482	6.2
93.07051	8.4
95.04962	3.1
95.08629	6.1
98.38444	2.0
105.07036	3.7
105.81380	1.8
107.04971	5.1
107.08613	8.2
109.10163	8.4
113.06037	4.3
119.08608	6.8
121.06500	2.7
121.10151	5.6
123.11679	2.7
130.79619	2.6
131.08617	3.8
133.10164	5.6
135.11676	3.2
137.06079	3.4
137.09579	2.1
139.07477	2.1
141.65125	2.4
145.10138	4.2
147.11699	2.4
149.05962	3.3
149.09677	3.4
151.07565	2.9
153.05473	2.8
157.10178	3.6
159.11702	2.6
163.07520	5.9
163.11229	2.6
165.05559	2.8
165.09172	2.8
175.07521	2.3
177.05521	7.1
177.09143	8.8
181.04964	6.1
185.13388	2.3
191.07089	16.3
191.10719	8.3
192.07797	28.4
193.08606	5.5
197.04701	2.2
205.08583	28.2
206.09361	3.9
208.78682	2.2
211.09639	3.6
219.10170	23.2
219.13840	4.7
223.09624	11.1
225.11223	3.7
232.10826	3.3
233.11748	2.7
233.15533	3.4
237.11211	5.1
247.13289	35.9
261.14905	25.5
265.14359	86.5
266.14706	4.0
267.12314	3.4
279.15900	100.0
280.16165	3.0
471.35318	2.3
489.36014	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	489.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46028	3.3
55.01860	4.2
55.05501	27.6
57.07066	11.4
67.05500	91.4
69.03412	6.8
69.07059	29.4
69.21408	34.9
71.04991	8.1
71.08617	4.3
79.05490	33.9
80.05882	3.6
81.07050	100.0
83.04974	8.2
83.08608	16.9
85.02850	4.4
85.06523	9.9
85.10187	4.8
88.25636	3.5
91.05481	34.9
93.07047	47.0
95.04950	8.1
95.08603	94.5
96.08908	4.5
97.06533	16.6
97.10155	10.4
99.04433	4.1
99.08086	11.3
103.17039	3.7
105.07006	31.0
107.08588	36.8
109.06528	6.4
109.10155	64.8
111.08070	8.3
112.70319	4.0
113.09616	9.2
119.08582	40.7
120.08870	4.1
121.06539	5.5
121.10160	47.5
123.08041	7.1
123.11715	21.6
125.09618	10.0
127.11147	7.6
131.08568	11.3
133.10115	37.1
135.08058	8.4
135.11679	27.2
137.05974	5.8
137.09616	13.4
137.13206	11.5
139.11200	7.8
143.08620	5.0
145.10136	20.5
147.11642	24.6
149.09665	7.3
149.13235	15.6
151.14818	8.4
157.08818	3.9
157.10136	7.6
159.11693	10.4
161.09599	4.2
161.13287	17.5
163.11171	8.2
163.14809	7.4
165.09113	86.1
169.10005	3.8
171.11668	6.5
173.11842	4.4
173.13217	6.3
174.13533	4.1
175.14783	10.4
179.10670	5.6
181.12209	8.5
187.14787	9.0
189.12622	6.9
189.16385	10.4
199.13089	4.5
201.12630	4.7
201.16391	6.7
203.10725	6.6
203.14163	4.0
203.17903	6.8
205.12285	10.2
211.14772	7.4
213.16255	4.2
217.16125	5.1
217.19501	45.2
235.16779	4.4
235.20531	40.8
309.24249	26.8
314.40594	3.6
368.44891	3.8
418.77475	4.1
471.30142	7.6
489.36072	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	489.3212
Annotation	CHEBI:70313
Peak:m/z	Relative Intensity
53.03942	3.3
55.01867	4.6
55.04639	2.1
55.05513	15.9
57.03426	8.1
57.07075	4.9
63.45411	2.2
65.03941	5.0
67.05505	43.5
69.03416	4.7
69.07057	19.6
69.42522	13.5
71.04987	4.0
79.05486	25.5
81.03410	5.9
81.07053	47.5
82.84241	2.1
83.01369	2.1
83.04980	5.6
83.08612	13.8
85.02925	3.9
85.06546	4.7
85.54675	2.0
91.05479	35.9
93.07043	50.0
95.04966	6.7
95.08604	86.3
97.06521	7.9
97.10156	3.4
98.22726	3.5
103.05465	8.0
105.07025	56.5
107.04962	6.0
107.08590	69.7
109.06512	7.9
109.10150	100.0
111.08089	4.4
113.09603	6.3
115.05453	5.1
117.07007	11.3
119.04951	4.2
119.08581	59.9
121.06475	3.5
121.10148	40.9
123.08071	8.0
123.11702	22.4
127.11184	25.8
128.06209	4.3
128.98984	2.1
129.06987	12.6
131.04900	6.1
131.08559	25.6
133.06487	5.7
133.10130	53.6
134.10455	2.7
135.04411	5.8
135.07999	5.5
135.11690	57.1
136.11967	2.1
137.05966	30.2
137.09613	9.2
137.13249	9.0
141.07010	3.6
142.07765	7.7
143.08554	20.1
145.06447	4.7
145.10120	27.2
147.08047	6.1
147.11673	45.3
149.06007	6.1
149.09662	5.7
149.13245	21.8
151.03894	9.9
151.06380	2.1
151.07535	14.8
151.11217	5.5
153.12704	3.7
155.08542	8.4
156.09343	6.1
157.06531	3.5
157.10139	24.1
159.08060	9.7
159.11703	26.6
161.06004	17.2
161.09630	9.3
161.13269	24.0
163.07568	6.0
163.11142	5.5
163.14799	13.3
165.09081	6.7
167.08543	8.5
167.14330	3.4
169.10139	18.8
170.10797	2.2
171.08055	6.0
171.11705	20.8
173.09608	6.8
173.13223	14.2
173.87099	2.6
175.07564	5.5
175.11191	18.5
175.14784	13.1
176.28882	2.3
177.09160	3.2
177.12717	4.2
177.16400	4.2
179.03366	13.0
179.08444	3.5
181.10052	7.9
183.08003	5.8
183.11655	18.5
185.09621	18.2
185.13216	13.5
185.19083	2.2
187.07579	4.1
187.11182	27.4
187.14780	14.1
188.08203	3.9
189.09178	4.9
189.12779	7.7
189.16368	39.5
191.10689	2.9
191.14317	4.2
191.17972	2.5
193.10144	5.8
195.11729	8.2
197.09639	4.0
197.13239	6.2
199.11151	15.5
199.14809	8.1
201.09081	5.6
201.12738	9.2
201.16377	9.6
203.06976	9.5
203.10693	30.7
203.17953	20.9
205.12308	5.1
205.15979	4.1
205.19511	6.0
207.11774	4.7
207.13733	3.4
207.17430	27.6
209.13260	7.8
211.11212	5.4
211.14824	9.1
213.12756	6.5
213.16313	4.2
215.10648	7.1
215.14311	5.7
215.17932	4.7
217.12308	6.5
217.15875	3.0
219.13783	4.8
221.13358	3.0
221.15392	3.2
221.19231	2.7
223.14859	4.0
224.08652	2.5
225.12720	3.3
225.16408	6.3
227.14243	5.4
229.12309	5.5
229.15826	2.8
231.09981	3.2
233.11661	4.3
235.14745	5.8
237.16354	5.9
239.14227	3.7
241.12065	5.0
241.15889	3.2
245.11728	8.0
245.15373	3.4
249.11284	9.0
251.12694	4.1
251.18156	3.5
253.15843	7.8
255.17355	4.2
257.19058	3.4
263.17926	8.9
267.17325	3.4
271.16940	10.2
279.17557	4.6
281.18976	5.5
283.09592	4.4
291.10440	3.0
291.15967	2.9
299.09164	4.5
299.12802	3.7
299.16403	4.9
299.20074	6.7
307.09814	3.6
308.10275	2.7
309.18332	3.2
311.09103	55.4
312.09531	4.3
317.17456	9.5
325.10638	4.7
325.17917	4.9
327.12210	14.4
327.19540	9.6
329.17523	2.6
339.19620	4.2
343.18958	8.2
345.20508	18.5
351.12277	7.2
357.20566	10.5
359.21902	3.1
369.20569	3.9
371.27277	4.4
377.10257	3.7
377.28748	3.0
383.29352	3.3
389.10385	3.7
389.28381	17.0
390.28726	2.7
395.11227	7.5
395.29294	3.3
397.23679	9.9
407.11169	5.4
407.29388	32.1
408.29691	3.3
411.25079	2.7
413.30545	16.0
417.27756	7.8
425.12405	5.9
425.30511	37.4
429.30008	8.7
435.28873	21.7
443.13632	3.1
443.31662	14.4
453.29947	77.4
454.30051	7.8
471.30908	30.6
472.30972	2.9
489.13559	27.8
489.31628	18.6
490.13910	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	489.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63590	1.3
55.01860	2.3
55.05512	16.9
57.07047	1.4
65.03933	2.7
67.05498	19.3
67.37688	1.2
69.03439	1.9
69.07074	14.2
69.27293	8.9
71.05009	1.8
79.05487	12.0
81.07060	21.1
83.08618	25.3
85.06517	1.8
91.05479	33.3
93.07034	14.7
94.04185	3.9
95.04965	5.8
95.08601	21.8
97.06509	3.0
97.10160	3.7
103.05467	9.9
105.07034	13.5
107.04942	5.1
107.08600	10.3
109.06516	4.1
109.10162	10.4
111.08074	9.8
115.05453	4.8
117.07013	6.6
119.04958	16.0
119.08580	9.0
121.06503	2.7
121.10159	10.5
122.03648	7.9
123.08086	2.9
123.11707	5.2
125.06036	1.1
128.06183	8.4
129.07054	5.8
129.09149	1.7
131.04913	5.2
131.08585	6.9
133.06509	3.1
133.10147	6.6
135.08081	2.1
135.11696	5.5
136.05206	2.7
137.05974	100.0
137.09592	2.4
137.13214	1.8
138.06287	2.7
139.07549	4.7
139.11159	1.8
141.07007	1.5
142.07813	1.6
143.08566	21.8
144.08925	1.4
145.06439	6.3
145.10109	10.8
146.07269	1.5
147.08058	4.1
147.11678	6.1
148.05112	1.7
149.05974	3.2
149.09628	2.2
149.13249	2.4
151.03897	3.6
151.07536	70.6
152.07864	2.2
153.09117	3.1
155.08517	1.6
157.06480	3.1
157.08601	4.1
157.10114	2.8
158.07260	3.3
159.08032	2.5
159.11661	4.3
160.05121	1.7
160.08775	1.3
161.09656	2.2
161.13260	3.3
163.07564	5.6
163.11238	2.2
163.14815	1.9
165.09123	9.1
171.08073	20.5
171.11610	1.6
172.08775	4.3
173.06013	5.5
173.09633	4.0
173.13283	2.1
174.06769	3.8
175.07539	25.7
175.09634	7.2
175.11009	1.8
175.14796	2.6
176.08006	2.1
185.13202	1.9
187.14839	2.3
188.06635	1.7
188.08324	32.1
188.09918	2.4
189.09103	41.8
189.16325	2.1
191.14265	1.4
195.08145	1.2
199.14926	1.5
201.09161	5.6
201.81052	1.2
203.10672	72.2
204.10999	2.1
205.12181	1.8
207.11673	1.4
209.09708	3.2
210.10455	4.3
211.07574	4.1
213.09171	1.6
226.09923	9.7
229.12132	1.4
233.09740	2.1
235.07547	2.0
239.10786	1.3
241.08595	3.1
241.12222	32.7
242.12686	1.5
243.17438	1.7
243.21024	2.9
249.08983	2.0
251.07065	1.3
261.09116	1.4
261.18546	3.9
261.22037	4.5
267.10229	1.6
269.08148	4.4
275.10690	1.6
278.09393	1.9
279.19928	2.3
279.23157	20.7
281.11743	1.9
290.12894	1.4
294.08966	1.5
297.24188	12.1
299.12717	11.3
305.15485	1.5
309.11307	2.6
310.11520	1.3
310.28766	1.2
313.14288	16.5
321.11151	1.7
325.14188	5.0
327.15939	2.3
333.14883	4.5
352.16721	1.8
353.17322	1.8
365.13269	2.1
365.17453	22.0
399.28986	2.3
417.29947	16.9
435.31128	9.0
443.31445	1.7
453.31543	2.2
489.22775	22.5
489.32574	4.0
490.22681	2.1
493.33527	1.2
500.64188	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3572
Annotation	Rubiyunnanol C
Peak:m/z	Relative Intensity
53.03936	2.9
55.01865	16.1
55.05508	16.7
55.63317	1.7
56.43353	1.6
57.03426	3.5
57.07065	5.1
59.04982	4.3
63.02372	1.6
67.05499	29.5
69.03421	15.2
69.07063	15.2
71.04979	7.5
73.06563	1.8
77.03938	1.8
77.05240	1.8
79.05483	21.0
81.07048	38.0
81.07494	3.3
83.04979	7.0
83.08608	10.0
84.02075	1.7
85.06532	7.2
89.03906	5.8
90.83141	1.8
91.05473	28.1
93.07038	48.0
94.07375	2.2
95.04975	10.4
95.08598	43.2
96.08903	1.9
97.06518	33.4
97.10150	5.6
98.23300	5.0
99.04485	3.0
99.08090	5.3
101.06019	2.0
103.05469	5.7
105.07021	41.7
107.04932	6.3
107.08586	56.4
108.08900	2.8
109.06506	17.3
109.10146	62.6
111.04466	2.6
111.08068	20.7
113.06007	3.3
113.09686	3.1
115.05470	2.9
115.07632	2.7
117.03400	12.8
117.07008	8.4
119.08569	61.3
120.08867	2.6
121.06478	12.4
121.10126	50.1
122.10466	1.8
123.08054	25.6
123.11694	15.2
125.05982	1.9
125.09602	26.0
127.11185	3.0
128.06195	3.4
129.06992	4.9
130.07776	2.5
131.04941	1.9
131.08571	13.9
133.10115	32.1
135.08037	12.9
135.11665	24.9
137.05974	6.0
137.09612	7.4
137.13226	3.2
139.07506	9.8
139.11142	9.2
141.06950	3.2
141.09079	6.8
142.07805	2.5
143.08546	10.5
144.09410	2.3
145.02823	28.9
145.06499	3.0
145.10117	42.1
146.03246	2.3
146.07265	2.6
147.08075	3.2
147.11681	14.6
149.05968	4.9
149.09627	10.0
149.13251	7.2
151.07506	6.1
151.11183	15.2
153.09145	3.3
153.12691	3.6
155.08553	2.7
157.08989	1.6
157.10106	10.6
159.08043	2.5
159.11681	23.6
160.12070	2.8
161.05936	2.2
161.09538	12.3
161.13239	15.0
163.07527	3.5
163.11166	42.5
163.14832	7.2
165.09065	3.2
165.12732	4.6
167.10802	1.8
169.10109	3.7
169.12204	4.0
170.10899	2.4
171.11668	7.5
173.13251	15.5
175.07539	4.2
175.09732	2.2
175.11171	7.9
175.14839	8.5
177.05455	49.2
177.08995	3.6
177.12749	5.1
177.16354	3.0
178.05817	2.5
179.10695	3.4
179.14355	2.1
181.12221	100.0
182.12590	5.3
183.11670	4.8
185.13197	10.6
187.11281	2.8
187.14832	11.6
188.08237	2.3
189.12773	5.0
189.16348	4.8
191.10632	5.9
191.14256	5.8
197.13286	4.5
199.13284	54.5
199.14868	6.4
200.13782	2.2
201.16371	25.8
203.10658	17.3
203.14305	8.1
203.17911	2.7
205.15871	4.8
207.17397	3.7
209.13188	2.3
211.14819	4.0
213.16380	6.6
215.14406	2.5
217.15889	3.0
219.13747	1.9
219.17436	5.0
225.16354	2.9
227.18031	2.8
229.15947	2.7
231.17386	2.3
243.17429	3.2
247.16953	10.0
265.17612	9.0
267.21100	5.6
275.19992	2.2
285.22064	15.0
297.22183	2.8
303.23248	16.1
307.40033	1.9
326.15009	5.9
327.23047	8.5
345.24112	9.2
395.29123	2.5
411.32663	2.2
413.30087	2.9
417.31131	2.7
423.32462	2.7
425.34329	2.9
435.32483	11.0
437.88834	2.1
441.33469	4.2
453.33792	24.0
454.33868	3.0
471.35022	22.0
472.35800	2.4
489.29538	14.2
489.35651	20.1
490.36197	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	489.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.7
55.01868	18.5
55.05512	16.9
57.07069	5.5
59.05013	8.1
65.03924	5.9
67.05502	31.6
69.03407	19.5
69.07072	22.9
70.21310	3.4
71.04977	7.9
71.33647	4.7
79.05482	28.5
81.07059	48.0
83.04983	7.4
83.08625	8.2
85.06538	10.9
91.05482	50.4
93.07040	50.2
95.04974	9.5
95.08598	51.7
97.06522	37.7
97.10204	9.0
99.04472	5.7
99.08086	4.2
103.05466	11.8
105.07028	58.9
107.04953	19.7
107.08595	72.3
108.08923	3.9
109.06527	24.5
109.10150	75.9
110.10489	3.6
111.08089	27.2
115.05413	6.4
117.07021	14.6
119.04946	13.0
119.08566	66.0
121.06504	15.7
121.10134	60.3
122.03673	4.8
123.08051	28.3
123.11726	18.9
125.09630	32.5
127.11162	4.1
128.06209	14.5
129.07011	7.6
131.04938	6.2
131.08572	29.2
133.06517	12.2
133.10120	42.7
135.04337	3.6
135.08093	13.2
135.11681	35.1
137.05969	74.5
137.09619	10.5
139.07538	11.1
139.11209	7.7
141.07040	5.2
141.09122	5.7
143.08557	25.3
145.06499	12.5
145.10115	38.1
146.07239	8.9
147.04448	6.0
147.07991	6.1
147.11647	23.1
148.05237	5.4
149.05927	7.5
149.09624	16.8
149.13277	14.2
151.03912	8.4
151.07520	53.6
151.08577	5.2
151.11174	17.7
153.12735	4.5
155.08514	3.9
157.10175	9.6
159.08070	13.7
159.11682	37.5
160.08890	4.9
161.05981	6.3
161.09608	18.8
161.13216	19.6
162.06750	29.1
163.07581	22.5
163.11168	39.9
163.14845	12.1
165.09058	21.4
165.12773	11.5
169.10124	4.9
169.12221	4.3
171.08075	23.8
171.11697	16.1
173.05952	5.7
173.09682	4.0
173.13274	16.6
175.07536	17.0
175.11324	8.6
175.14861	14.5
177.05437	3.5
177.09099	15.5
177.12741	6.7
177.16438	5.1
181.12242	88.7
182.12610	5.8
183.11800	8.8
185.13289	11.3
187.07632	3.8
187.14842	15.9
188.08322	19.6
189.09108	5.0
189.16429	8.0
191.10637	25.9
191.14389	7.1
193.12193	4.6
197.05983	4.9
197.13347	5.4
199.11584	6.4
199.13293	35.0
199.14888	9.3
201.16348	22.8
203.10666	100.0
203.12457	7.4
203.14365	10.8
204.11029	6.5
205.12201	5.3
205.15985	11.2
207.17424	7.7
211.14793	6.2
213.16426	8.7
215.14349	4.9
215.17871	5.7
217.15945	6.2
219.17380	5.7
225.16344	6.7
231.17470	5.4
241.08624	4.9
247.16885	10.6
249.08997	4.3
255.21111	4.4
258.08728	4.1
261.18689	3.6
265.18195	4.0
267.21109	8.2
272.10513	4.7
285.22128	12.2
296.40833	3.8
297.11227	7.8
299.12784	7.5
303.23233	14.9
309.22241	5.1
311.12726	6.8
313.14249	6.3
325.14322	10.8
326.15143	34.2
345.24228	6.3
359.13193	3.2
365.17368	9.7
435.32339	8.8
441.33395	5.2
443.31415	4.8
453.33762	28.4
471.34930	27.5
489.22260	31.6
489.28790	4.0
489.36130	31.5
490.23056	7.2
490.36029	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	489.3577
Annotation	Lycoclavanin
Peak:m/z	Relative Intensity
51.22237	2.0
53.03944	3.5
55.01881	3.6
55.05507	19.0
55.52615	2.4
56.32005	1.6
56.92405	1.8
57.03445	3.5
57.07075	12.9
65.03948	2.5
67.05504	50.2
69.03427	3.1
69.07068	23.1
69.61523	9.6
71.04998	7.5
73.55319	2.0
79.02033	1.7
79.05492	34.6
81.07055	62.8
82.07427	2.2
83.04969	7.3
83.08604	11.4
85.06544	6.1
85.89093	2.5
87.04474	3.3
91.05483	36.3
93.07043	65.9
95.04951	6.2
95.08602	58.9
95.94767	2.0
97.06513	10.6
97.10167	7.7
103.05446	4.4
105.07028	38.9
107.04951	8.4
107.08588	67.1
109.06512	9.8
109.10150	53.8
110.10522	2.4
110.76668	2.3
111.08073	11.2
113.09642	2.2
117.07014	6.7
119.04945	5.3
119.08578	48.0
119.09434	3.2
121.06529	3.8
121.10138	78.6
122.10384	2.5
123.04491	2.3
123.08109	9.7
123.11707	24.1
125.06013	7.6
125.09608	13.7
126.10007	2.3
127.11225	2.9
129.07037	4.2
131.08568	12.5
132.90727	2.2
133.06503	2.7
133.10136	32.3
135.08057	7.4
135.11690	39.8
137.05954	23.2
137.09605	6.7
137.13275	5.0
139.07542	2.7
139.11208	8.8
143.08574	6.5
145.06439	2.7
145.10081	18.0
147.08066	2.3
147.11693	31.3
149.09612	18.4
149.13258	22.6
151.07518	25.2
151.11188	7.6
152.07878	2.2
153.01857	2.1
153.09111	7.4
153.12752	3.4
155.08478	3.3
155.53929	2.1
157.10117	4.7
159.08078	2.8
159.11687	12.3
161.09586	3.9
161.13260	24.6
163.07597	3.3
163.11195	6.5
163.14792	12.2
165.09103	8.2
165.12756	7.9
167.03352	3.2
167.07147	2.2
167.10674	36.7
167.39767	2.0
169.10159	3.4
171.11798	5.2
173.11829	4.5
173.13290	8.3
175.07542	3.1
175.11046	2.6
175.14862	8.2
177.09119	15.2
177.12749	2.8
177.16383	10.8
179.10625	4.1
179.14311	2.5
183.11642	3.2
185.13228	5.2
187.11150	3.1
187.14838	6.6
189.16399	9.2
191.14325	2.5
191.18004	6.0
193.08458	2.2
193.12306	3.5
195.10138	27.6
197.13193	2.5
199.14825	6.1
201.16418	5.1
203.10710	3.9
203.17949	49.7
204.18307	3.2
205.12280	2.7
205.15886	5.0
207.13753	2.7
207.17473	4.7
221.15392	2.9
221.18996	10.3
227.17918	2.7
233.11702	2.2
233.15495	3.1
235.09698	4.1
235.16881	5.8
237.14896	5.4
239.09204	2.3
241.12103	2.3
247.17046	2.8
249.14885	12.3
251.16422	100.0
252.16605	4.8
263.16357	5.6
271.24313	2.2
275.16385	15.5
277.14456	6.0
287.72729	2.4
289.17877	2.7
310.20999	2.7
347.16467	4.6
356.06125	1.9
379.29962	3.9
397.26852	3.7
397.31357	4.0
399.28766	13.2
401.30374	4.5
411.28662	2.9
412.91031	2.3
413.30545	3.8
425.33850	2.7
435.32605	4.9
443.35077	5.7
445.44797	2.4
453.33731	43.8
454.33884	4.6
471.29105	2.5
471.34894	35.7
489.24265	2.8
489.36588	31.5
490.36691	2.9
490.44354	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	489.3574
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
52.43044	4.1
52.58846	3.8
55.01864	9.9
55.05504	19.8
57.07069	6.7
65.03950	5.0
65.71945	4.1
67.05500	39.6
69.03423	7.0
69.07069	37.2
71.04980	6.4
71.33105	6.5
73.75980	3.4
79.05497	35.6
81.07059	80.3
81.07504	8.6
82.07388	4.7
83.04984	13.6
83.08622	16.5
83.53617	4.5
85.06529	10.1
86.09716	11.6
91.05465	50.5
93.07045	64.4
93.59788	4.3
94.04212	4.5
94.07362	4.7
95.04958	12.6
95.08601	100.0
96.08939	6.7
97.06528	16.1
97.10173	8.4
99.04444	8.6
99.08133	5.3
103.05448	9.5
105.07025	85.4
107.04988	5.1
107.08585	82.2
109.06494	15.4
109.10155	58.9
110.10509	5.5
111.08070	12.3
117.07019	15.7
119.08577	81.6
121.06497	13.3
121.10137	69.4
122.03682	9.1
123.08053	9.7
123.11702	32.6
124.99980	8.4
125.09586	23.3
127.07518	6.1
128.06253	5.9
131.08571	41.5
133.06540	7.9
133.10121	73.8
135.04320	4.1
135.08051	16.3
135.11696	42.0
137.05984	57.6
137.09610	11.8
137.13228	9.1
139.07570	11.7
143.08572	17.4
145.10110	60.1
146.10422	4.6
147.08063	9.5
147.11696	42.5
149.09624	12.7
149.13254	27.4
151.07526	15.2
151.11176	13.0
153.09094	7.6
155.08528	6.9
156.09402	7.0
157.10161	28.9
159.08110	7.4
159.11688	46.4
160.12047	6.3
161.09618	13.5
161.13272	34.1
163.07552	5.9
163.11209	18.6
163.14821	20.1
165.09100	9.6
165.12730	12.8
169.10136	10.9
171.11700	20.3
173.09639	8.1
173.13269	43.0
175.11223	8.3
175.14780	35.4
177.12726	8.7
177.16391	36.9
179.10664	6.0
181.12160	8.8
183.11708	6.9
184.07326	39.3
185.09489	4.4
185.13284	19.9
187.11147	11.0
187.14836	45.0
189.12749	15.7
189.16377	45.0
191.10689	4.6
191.14307	17.7
191.17934	8.7
193.12259	10.3
197.11684	5.4
197.13353	5.6
199.14848	14.3
201.16409	26.9
203.10663	9.4
203.14294	25.4
203.17989	41.8
205.15903	58.0
207.17401	7.7
211.14763	5.0
213.16443	13.7
215.14296	7.1
215.17982	9.0
217.15840	9.7
221.15399	10.6
223.16855	7.3
227.17938	5.7
229.15866	6.8
229.19531	6.0
231.17456	11.4
238.88940	5.6
243.17465	7.3
245.15340	5.0
247.16980	7.7
249.18431	12.8
261.18594	6.0
379.33630	5.8
397.31000	5.6
399.28235	5.1
407.33102	15.5
423.32697	7.5
425.30634	19.2
435.32797	12.8
437.30582	5.6
443.31754	5.3
453.29004	10.1
453.34256	11.3
471.30252	28.7
489.26187	6.0
489.33109	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	489.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.8
55.01873	2.9
55.05509	30.3
56.33244	1.9
57.03427	3.9
57.07074	3.9
60.60487	2.0
65.03954	2.9
67.05503	82.5
67.05868	4.3
69.07063	51.4
70.07396	1.8
71.04990	8.5
74.70538	2.0
79.05489	41.2
81.06568	5.0
81.07051	100.0
83.04977	7.5
83.08622	16.0
85.06548	7.9
91.05472	21.2
93.07044	58.4
95.04996	3.7
95.08603	98.4
97.06540	16.5
97.10158	16.2
99.08070	2.5
104.02250	2.2
105.07036	14.0
107.08582	24.7
107.09175	2.5
108.41077	2.0
109.10146	43.4
110.10480	2.9
111.08090	3.1
111.11751	5.4
117.07031	4.1
119.08562	12.6
121.10133	46.7
123.08037	3.4
123.11692	18.2
125.09590	3.1
131.08542	10.5
133.10188	11.3
135.11688	22.2
135.80664	2.0
137.09595	3.9
137.13278	8.5
139.11179	31.5
145.10081	13.1
147.11673	15.0
149.13284	8.7
151.11182	3.6
157.12259	6.1
159.11720	6.9
161.13214	9.5
163.11160	3.0
163.14839	6.8
165.12776	4.8
171.11729	2.8
173.11760	3.0
173.13269	6.9
175.14948	2.2
179.14313	3.6
187.14864	4.8
189.16400	2.6
195.01495	2.0
201.16461	2.3
201.28723	2.0
205.61530	2.0
209.15324	2.0
219.17650	2.4
223.86716	2.1
225.93515	2.0
243.21115	14.3
261.22116	33.1
279.23178	89.9
280.23508	4.3
295.22476	2.8
297.24188	25.3
371.03976	2.6
381.31384	3.2
383.14902	3.0
388.68134	1.9
399.32581	20.6
411.14120	4.4
417.33664	36.2
418.33881	2.5
435.34720	29.8
436.34937	3.1
453.35773	11.5
489.21066	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	490.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.5
55.01873	1.9
55.05517	1.8
57.03438	1.9
57.26741	1.3
61.02921	2.9
66.01459	1.2
67.05497	6.0
69.03419	7.1
69.07052	2.7
69.47350	5.3
69.47750	3.0
70.04608	1.3
71.04990	2.1
73.02936	2.0
79.05495	6.0
81.03413	5.3
81.07059	10.1
83.04974	1.6
85.02908	16.0
91.05476	23.7
92.05804	1.7
93.07027	5.7
95.04958	3.8
95.08627	7.1
96.41454	1.3
97.02869	5.3
99.04475	1.7
103.05462	18.3
105.07022	9.9
107.04948	5.4
107.08589	6.1
108.08185	1.5
109.06532	3.0
109.10162	6.1
115.05471	11.7
117.06992	4.2
119.04945	10.3
119.08549	7.8
120.08894	1.6
121.06505	3.3
121.10155	6.1
122.03658	3.4
123.04450	10.0
123.08047	2.1
123.11686	2.1
127.03913	3.5
129.06969	4.1
131.04916	13.6
131.08542	9.7
132.96622	1.3
133.06459	3.0
133.10106	4.8
135.04372	1.7
135.08028	2.9
135.11700	3.3
137.05974	41.9
137.09616	6.0
138.06363	2.0
141.06984	13.3
144.05688	4.1
145.04955	3.8
145.06462	5.0
145.10144	5.5
147.04398	21.4
147.08075	1.7
147.11661	2.2
148.05118	4.1
149.06003	2.3
151.07553	17.2
155.08626	1.7
157.06480	2.0
157.10095	1.4
159.08086	10.1
159.11734	2.9
161.05994	12.8
161.13298	4.3
162.06342	4.4
163.03941	1.7
163.07549	12.1
163.11206	2.7
163.14737	1.7
164.08299	5.6
165.09106	31.6
169.06471	9.4
173.06052	2.3
175.07568	3.1
177.16292	2.6
187.07561	30.3
189.16409	3.0
190.07790	2.5
201.09129	2.4
201.16359	1.6
203.06976	4.2
203.10692	1.9
204.07405	3.0
205.10106	4.0
205.15892	1.9
218.07271	3.8
219.08185	1.7
233.09666	9.8
249.10071	1.5
251.10855	1.8
261.09012	7.4
263.11807	4.1
265.12170	2.3
277.08719	1.6
278.09067	1.5
279.10440	3.1
281.08005	2.3
282.08453	2.5
286.11566	3.0
291.11224	3.0
292.11703	1.9
293.11978	3.3
296.10388	4.2
309.12137	2.8
311.09344	3.7
311.12741	100.0
312.09476	9.1
312.13083	6.2
314.07803	4.1
319.10925	1.9
328.12637	4.5
329.10150	8.8
337.11801	12.4
444.35699	2.5
462.20145	1.9
490.14008	4.3
490.20142	2.3
491.15219	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86980	0.7
53.03953	1.3
55.01853	1.3
55.05507	2.4
57.03440	11.6
59.14669	0.7
61.02919	1.7
69.03423	2.9
69.27277	3.9
69.27711	2.5
71.04993	73.7
73.02908	2.6
75.04485	4.0
79.05495	1.3
81.03406	2.0
81.07018	0.9
83.04977	6.8
85.02905	100.0
86.03227	1.6
87.04465	2.1
91.05470	0.9
95.08614	1.7
97.02918	3.9
98.22587	1.6
99.04458	1.6
100.11256	1.6
101.06003	1.2
105.07029	4.3
107.04962	3.5
108.05293	1.0
109.06470	1.1
111.04440	3.3
117.18409	0.8
121.02895	2.0
127.01115	0.8
127.03909	3.4
129.05476	40.4
131.04895	1.1
131.08582	1.5
133.06500	4.7
137.05988	24.7
138.06270	0.8
145.04970	2.8
145.06493	1.9
146.08116	1.7
147.04480	1.5
147.06528	16.3
147.07835	1.1
151.03925	1.7
161.05974	1.0
161.09547	1.1
162.45300	0.8
163.03902	0.9
164.09200	5.4
165.09091	12.4
173.06044	1.2
175.07533	1.6
177.05490	1.4
177.09125	1.6
180.08669	1.4
181.04985	6.8
187.07637	1.1
189.05276	1.1
189.09096	4.1
191.10750	1.8
200.25877	0.9
201.09099	1.7
207.10156	1.0
219.10315	1.2
231.10165	1.2
233.11685	0.8
252.07530	1.1
255.08754	1.2
269.07990	1.4
270.08383	1.7
271.02405	2.1
297.00250	1.9
299.01849	2.6
312.09247	1.4
314.00522	3.3
329.02896	15.0
354.10522	1.4
402.50232	0.9
436.91168	0.9
490.21521	6.8
491.18707	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.9
53.17218	0.6
55.01870	0.7
55.05509	1.3
57.03432	10.6
59.04995	0.9
61.02932	1.3
69.03421	2.2
69.30079	2.3
69.30505	2.2
71.04989	76.8
72.05314	0.9
73.02912	1.6
75.04479	4.3
79.64142	0.6
83.04974	6.5
85.02901	100.0
86.03243	1.4
87.04480	1.9
97.02883	3.2
99.04459	1.2
103.03900	0.8
105.07016	1.8
109.02912	1.1
111.04429	3.4
124.05222	3.1
127.03935	3.2
127.04710	0.5
129.05469	43.4
130.05779	0.8
133.06477	1.7
137.05978	4.0
144.06573	0.9
145.04932	2.2
146.08083	1.2
147.06522	18.0
152.20103	0.5
158.27898	0.6
162.07587	0.8
162.83289	0.5
163.05986	0.8
164.09166	4.6
165.07814	0.9
165.09117	7.7
167.07027	0.9
180.08621	0.6
189.09077	0.8
231.10066	1.0
241.73810	0.5
255.08607	1.2
408.11703	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	7.9
55.00361	6.4
55.01876	7.7
55.05502	25.7
67.05507	39.7
69.07070	36.4
70.03080	29.6
79.05492	37.1
81.07052	66.3
83.04963	13.5
83.08622	18.5
91.05470	47.5
93.07043	78.6
94.07348	8.4
95.08606	100.0
96.08903	9.0
97.04128	6.4
97.06505	7.9
98.23293	8.6
105.07022	66.7
107.08589	88.6
109.06501	11.1
109.10152	75.8
111.08085	11.8
117.71493	7.0
119.08572	80.0
120.08884	9.4
121.06477	16.3
121.10143	89.8
122.10461	14.5
123.08054	9.3
123.11684	40.8
129.07057	8.9
131.08540	29.4
133.10121	61.9
135.08067	37.8
135.11678	62.4
137.05966	53.1
137.09549	9.6
137.13321	11.2
142.07739	8.1
143.08568	15.5
145.06497	7.6
145.10118	27.1
147.11729	34.2
148.12006	9.8
149.09570	10.8
149.13287	39.4
151.07486	28.3
151.11176	6.9
152.37399	7.1
157.10103	21.4
159.08005	7.3
159.11617	32.9
161.09601	22.4
161.13252	28.6
163.07501	9.6
163.11082	10.0
163.14865	23.3
165.09119	25.4
169.10048	9.4
171.10168	7.3
171.11688	24.5
173.09686	14.6
173.13274	23.4
175.14894	13.4
177.12669	8.5
177.16357	10.9
183.11563	9.6
185.13177	17.2
187.11150	15.4
187.14761	12.1
189.12813	9.4
189.16357	23.8
191.17940	48.0
199.14873	10.3
201.12628	12.3
201.16388	13.8
203.14297	9.1
203.17921	21.0
205.12300	9.7
205.15907	18.8
207.17323	6.7
215.18138	8.3
229.12256	12.4
233.11703	15.7
247.13130	8.1
317.24341	8.5
419.29218	16.6
437.30289	21.8
455.31750	55.6
456.32007	9.8
490.36157	10.6
491.26773	23.8
510.70752	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	490.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	9.3
55.05507	34.7
67.05506	49.0
69.03427	18.9
69.07064	43.6
69.42776	18.8
69.43186	33.4
79.05485	34.1
81.07050	79.0
83.04985	18.2
83.08616	49.5
85.06539	23.5
91.05478	23.9
91.69507	8.8
93.07040	61.3
95.08593	100.0
96.08939	9.2
97.06509	23.5
97.10184	43.6
105.07038	49.7
107.08589	93.0
108.08939	9.9
109.06539	17.1
109.10130	77.4
111.08032	19.5
115.05415	9.2
116.18603	7.3
119.08559	71.1
121.06493	13.5
121.10126	75.9
123.08061	19.2
123.11699	30.4
125.09634	29.6
131.08566	27.6
132.78627	7.6
133.10117	64.2
135.08023	23.8
135.11674	42.8
136.12001	7.9
137.06027	13.3
137.09589	12.8
139.11201	10.9
143.08557	28.6
143.10675	29.4
145.10127	49.4
147.08032	12.8
147.11690	42.8
149.09573	16.5
149.13252	21.9
151.03917	14.1
151.07542	20.4
151.11166	9.3
155.08559	15.9
157.10124	24.2
159.11696	44.8
159.66068	8.1
161.09619	10.1
161.13269	27.8
163.11159	16.6
163.14853	12.2
165.09119	15.4
169.10135	14.8
171.11662	31.0
173.09511	10.5
173.13300	37.3
175.11237	17.4
175.14890	31.3
177.12764	26.1
181.12335	9.8
183.11554	9.8
185.13246	31.1
185.14731	9.1
187.14832	40.0
189.12730	20.0
189.16359	18.7
191.14481	8.1
191.17914	14.0
195.11684	11.8
197.13214	18.7
199.14761	18.3
201.16348	29.4
203.14287	22.4
206.74260	10.0
207.17532	11.5
211.14949	16.9
213.16405	19.6
215.14352	9.9
215.17859	10.8
217.15918	13.7
223.13268	18.4
225.16284	11.0
227.18047	8.3
267.21085	12.9
291.21136	11.4
309.22092	32.7
313.21732	10.5
327.23199	17.9
345.24576	9.5
355.22467	11.5
373.23593	36.6
375.96542	8.0
391.30045	18.5
409.31238	58.9
419.29086	8.3
427.31985	25.1
437.30481	47.4
454.33569	10.2
455.31497	86.6
456.31570	10.2
473.32611	31.0
490.26804	8.1
490.35443	23.2
491.27289	52.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11226	1.7
53.03935	3.6
55.05507	11.4
57.07086	3.9
65.03930	2.5
67.05495	20.5
69.07067	15.7
70.27259	6.5
71.04990	2.4
78.14656	2.2
79.05490	17.0
80.06423	1.8
81.07053	42.7
83.08598	7.3
85.06539	15.8
91.05474	18.7
93.07048	36.9
95.04961	3.0
95.08025	3.8
95.08601	53.2
97.06511	2.9
97.10192	2.2
105.07027	28.1
107.08593	54.9
108.08992	2.1
109.10149	33.3
111.08068	2.2
117.06994	8.8
119.08566	39.8
120.44032	1.8
121.06468	2.2
121.10139	45.6
123.08097	2.9
123.11713	17.6
127.65125	1.9
129.06993	10.1
131.08545	21.8
133.10138	26.8
135.08006	3.4
135.11687	31.9
136.12036	2.4
137.05963	8.6
137.13246	8.6
142.07794	2.7
143.08534	12.8
145.10129	22.5
147.11682	24.0
149.02290	2.3
149.09579	5.3
149.13252	20.5
151.03902	16.0
151.07483	3.3
155.08562	9.8
157.10126	18.0
159.11687	20.2
161.05945	2.4
161.09573	4.7
161.13264	21.9
163.11182	11.2
163.14821	32.5
165.12733	9.5
169.10118	8.7
171.11670	21.0
173.09645	5.0
173.13272	19.0
175.03896	4.0
175.11197	8.9
175.14804	12.6
177.16383	9.0
179.14314	27.6
181.10107	5.9
183.11662	19.9
185.13235	16.8
187.11154	3.0
187.14801	14.2
189.12695	3.9
189.16357	12.9
191.14313	7.9
191.17917	16.9
193.15831	2.7
195.11650	4.3
197.13222	10.3
199.11177	5.2
199.14836	11.0
201.12790	14.6
201.16391	13.2
203.10631	2.8
203.14378	4.2
203.17912	6.1
205.15843	2.9
207.17406	3.1
209.11615	14.1
209.13058	2.9
211.11356	2.2
211.14793	11.8
213.12769	3.6
213.16325	5.4
215.10771	2.5
215.14363	7.2
215.17879	8.5
217.12276	2.9
217.15749	2.0
219.17450	2.9
221.13310	2.8
223.14803	6.6
225.12697	3.3
225.16437	6.0
227.14241	3.9
227.17966	4.7
229.12251	3.7
229.15837	9.8
229.19550	6.0
231.13800	2.2
231.17467	2.1
235.14810	2.6
237.16373	11.7
239.14252	5.7
239.17885	2.7
241.15733	4.8
243.13759	2.5
243.17506	2.8
245.15407	2.9
245.18939	3.0
247.13121	4.7
251.17923	6.3
253.15941	3.1
253.19455	3.0
255.17375	4.1
257.15421	3.0
261.14767	10.3
263.17911	3.1
265.19620	3.5
267.20987	2.4
269.18997	3.5
271.16849	3.0
275.16400	7.4
283.16870	6.8
285.14761	2.9
287.16385	3.5
289.17953	3.7
297.18518	3.6
299.09128	14.6
299.16547	2.3
301.17960	6.6
315.19656	2.8
323.19772	2.5
327.19458	2.8
341.21103	2.8
350.52151	2.1
373.28839	7.3
381.24072	2.9
381.31479	3.3
391.29974	24.3
392.30191	3.0
409.31049	16.0
419.29459	15.3
420.29898	2.4
425.30426	2.4
427.32095	12.7
437.30490	100.0
438.30707	11.9
455.31570	84.7
456.31741	9.2
473.32831	16.4
490.35379	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	490.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40188	1.6
54.58908	1.7
55.01871	2.1
55.05513	8.6
59.26906	1.6
65.03943	2.0
67.05501	17.8
67.48365	1.9
69.07069	8.2
69.67841	1.8
71.32032	2.2
79.05494	9.7
81.07062	16.6
83.04990	2.5
83.08640	3.2
91.05483	9.1
93.07027	14.3
93.07508	1.7
95.04971	3.5
95.08608	100.0
96.08965	2.9
97.06548	2.5
97.10184	2.6
99.08113	2.4
105.07014	10.4
106.07341	2.7
107.07957	2.1
107.08585	12.6
107.94264	1.8
108.08953	3.4
109.06526	3.8
109.10158	13.4
113.09715	1.9
117.07021	2.7
119.08573	12.6
121.10139	14.5
123.08080	10.6
123.11710	3.4
123.81470	2.3
125.09634	2.8
127.11138	2.2
131.08571	6.8
133.10143	8.4
135.11699	8.7
137.05988	6.4
141.09137	4.2
145.10146	5.2
147.11694	5.1
149.13263	3.4
151.03915	3.0
151.07504	3.3
157.10144	3.9
159.10179	8.8
159.11696	5.6
161.09579	3.0
161.13283	3.6
163.07590	2.2
163.11119	2.1
163.14813	4.1
173.09621	2.4
173.13252	5.5
175.11189	2.9
175.14781	2.9
185.13280	2.8
187.14809	3.2
189.09123	2.0
189.16385	3.1
201.16331	3.0
205.12303	3.0
243.13853	2.4
245.39369	2.0
249.18517	9.5
261.22235	2.8
279.23135	6.5
293.21347	2.3
297.24326	6.6
384.17401	2.1
411.29175	3.1
419.31409	4.1
437.31750	2.1
444.35638	4.2
454.49103	1.9
455.31628	12.1
473.32028	3.2
491.26151	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	490.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39351	5.8
55.05493	13.5
57.07073	14.7
67.05499	26.7
69.07059	23.8
69.16763	46.7
74.33660	6.2
79.05487	16.8
81.07054	30.4
83.04974	8.0
91.05482	12.2
93.07051	28.4
95.08602	34.8
98.23344	12.9
105.07034	27.9
107.08601	43.6
108.08925	7.1
109.10149	38.6
110.10441	12.1
114.95123	5.3
119.08562	33.3
120.08965	7.0
121.10118	31.8
123.11722	16.5
131.08632	8.9
131.94171	7.7
133.10115	39.1
135.08028	6.7
135.11681	20.0
145.10106	14.7
147.11674	17.5
149.13261	14.0
159.11688	11.3
161.13260	11.1
162.13594	9.4
163.14804	12.4
175.14818	8.8
187.14696	13.9
189.16370	11.6
203.17961	9.9
205.12152	6.9
205.15974	13.5
249.18434	9.8
337.27261	6.3
427.32077	8.8
437.34000	13.5
454.34039	18.0
455.34711	17.0
472.34888	9.6
490.31543	23.2
491.31277	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64114	11.0
55.05503	12.9
56.79299	9.7
56.89187	9.1
57.03446	10.8
61.89070	9.4
67.05505	36.3
68.86572	11.6
69.07069	19.6
70.02830	8.6
71.01797	10.0
71.04984	18.6
72.06479	9.1
77.45647	9.1
79.05505	15.0
81.07063	45.7
83.08617	10.4
86.38200	10.0
91.05474	17.0
93.07041	29.2
95.04993	11.1
95.08604	52.7
98.23334	17.4
99.56122	10.1
105.07033	33.2
107.08575	56.5
109.10165	39.8
117.07005	14.7
119.08566	43.1
121.10130	24.1
123.11713	14.1
125.09676	12.7
127.11215	12.8
132.39357	10.6
133.10146	44.4
135.11674	31.7
137.09578	13.1
137.73170	9.6
143.10658	17.2
145.10114	27.0
147.11659	17.7
151.49159	10.1
159.11668	24.3
161.13304	20.6
163.11203	20.2
172.51321	12.0
173.13249	11.3
187.14827	14.7
187.47417	10.3
189.16345	13.4
205.15756	19.5
229.30580	11.4
419.33066	17.6
437.34045	45.6
455.35410	100.0
490.36972	11.2
491.31516	63.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	11.0
55.05503	33.0
57.29213	11.1
67.05504	63.0
67.18903	9.4
69.07063	27.3
69.32496	23.7
69.32891	72.8
71.04977	16.2
79.05482	38.9
81.07047	90.8
82.07348	15.5
83.08609	30.5
85.06543	11.8
91.05469	56.0
93.07043	70.5
95.08601	100.0
97.06532	30.7
102.85309	10.5
103.05551	12.4
105.07021	72.4
107.08585	83.4
108.08925	13.0
109.10155	87.2
111.08115	16.9
117.06976	14.0
119.08574	92.6
121.06514	21.1
121.10149	97.0
123.08109	13.5
123.11705	27.1
125.05983	10.6
125.09632	23.3
127.11095	12.0
131.08560	35.6
133.10118	89.6
135.08054	16.4
135.11688	39.6
137.05992	44.5
143.08565	26.3
145.10095	44.1
147.11697	48.8
149.13306	15.0
151.07523	20.0
157.10127	22.0
159.11639	49.8
161.09572	17.0
161.13245	32.8
163.14821	27.6
165.09084	27.2
171.11612	29.2
173.13228	25.4
174.13763	10.8
175.07559	12.9
175.14806	25.8
177.08984	11.7
177.12708	19.1
183.11795	11.7
185.13252	15.5
187.14778	44.3
189.12782	17.4
189.16345	42.7
191.08852	11.4
191.10632	25.7
191.17929	25.2
192.10966	14.3
201.16365	54.9
203.10629	44.2
203.17836	17.4
204.11028	21.1
207.17406	15.1
213.16330	18.9
247.16922	27.2
265.99829	12.3
271.20303	11.2
299.13257	13.5
391.33813	12.1
427.31775	11.9
437.34525	58.5
455.30963	12.9
490.23288	14.8
491.30032	46.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.7
54.63764	2.6
55.01880	3.2
55.05507	16.8
57.07080	5.3
67.05495	27.7
68.05813	2.5
69.03413	5.9
69.07066	30.4
69.07402	4.5
69.16885	16.3
69.17297	5.9
75.76385	2.5
79.05500	21.3
81.07051	57.7
83.08630	15.7
85.06572	3.5
91.05453	17.9
93.07042	42.1
95.04993	5.0
95.08602	100.0
97.06538	6.6
97.10152	8.2
98.06873	3.9
98.21835	2.4
98.41274	3.0
99.08087	4.0
103.05516	2.5
105.07022	39.1
106.07370	3.5
107.08590	82.3
108.08914	5.9
109.06508	5.6
109.10149	55.9
110.10482	5.6
111.08098	5.7
111.11707	3.9
116.82718	2.5
117.07025	7.8
119.08572	80.1
120.08879	4.6
121.06584	2.9
121.10147	57.8
122.10505	6.8
123.08070	8.0
123.11702	16.2
125.09634	7.2
128.06238	4.0
129.07033	3.6
131.08568	23.9
133.10127	77.3
133.11139	4.7
134.10419	3.7
134.96269	2.4
135.11679	39.1
137.05873	4.9
137.13248	8.0
137.96786	2.4
139.07529	4.3
143.08542	5.3
144.09465	2.7
145.02827	4.8
145.10114	48.5
145.76074	3.3
146.03157	4.0
147.11679	37.3
149.09653	4.3
149.13251	23.5
151.11136	3.6
156.04568	2.9
157.10158	5.8
159.11688	41.6
161.09534	3.0
161.13242	40.6
163.11125	6.2
163.14812	42.6
171.11693	7.8
173.13264	25.0
175.11168	2.9
175.14796	29.6
177.05460	10.3
177.16412	27.6
179.14287	5.3
181.12238	7.6
182.12578	7.6
183.11778	3.2
186.13828	2.6
187.14798	67.7
188.15239	4.4
189.12776	3.2
189.16367	62.6
190.16747	4.7
191.17935	69.6
197.13196	3.7
199.13246	6.8
199.14897	8.3
201.16373	96.3
202.16800	5.4
203.17934	69.0
205.19513	3.7
207.13834	6.3
207.17451	22.6
213.16418	12.0
215.17918	26.4
217.19543	12.3
219.17459	7.5
221.15401	4.9
221.18987	5.7
227.18008	7.5
229.19463	26.9
230.19930	3.7
231.21086	6.5
233.19092	3.3
235.16945	4.1
241.19475	5.4
243.21120	7.7
247.16920	40.8
255.21205	4.1
259.16687	3.8
261.18484	10.7
269.08093	3.4
275.20062	7.7
285.10736	3.5
286.22534	3.9
288.59549	2.9
294.11966	4.5
346.24548	3.3
391.33423	19.8
392.33252	2.7
393.34924	6.2
409.34784	16.2
411.36176	41.9
437.34189	95.1
438.34485	8.1
439.98727	3.0
445.32730	3.8
454.34464	2.9
455.30295	3.8
455.35486	7.6
472.37546	7.3
490.29868	5.3
490.38489	25.1
491.31375	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	490.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	17.6
57.07077	8.9
67.05502	23.5
69.07061	32.1
69.59016	34.0
70.07398	7.8
71.05008	7.6
79.05476	23.4
81.07057	59.6
83.04967	11.8
83.08616	22.2
85.06524	8.8
91.05473	38.6
93.07042	55.5
95.04975	9.7
95.08586	65.1
96.08926	6.7
97.06535	14.3
97.10147	9.6
98.22598	10.2
98.42447	6.4
103.05516	10.0
105.07055	50.1
107.08594	71.2
108.08925	10.9
109.06512	16.9
109.10153	66.4
110.10455	7.1
110.64014	7.6
111.08073	20.1
118.62740	7.5
119.08561	57.2
121.06479	12.5
121.10133	40.5
123.08035	11.9
123.11684	15.7
125.09642	17.9
127.07555	11.0
131.08530	20.1
133.10149	44.4
135.08028	12.4
135.11659	33.0
137.05977	39.4
137.09628	12.8
137.13319	8.3
138.06273	8.3
139.07611	12.9
143.08594	16.3
145.10112	27.8
146.10503	10.8
147.11681	29.2
149.09589	19.2
149.13248	15.8
151.07545	22.7
151.11198	9.8
152.07898	8.5
157.10130	20.3
159.11671	25.4
161.09604	13.3
161.13229	11.6
163.11203	14.0
163.14806	17.8
165.09167	11.3
165.12798	20.9
171.08115	12.2
171.11702	13.0
172.08427	8.3
173.13269	22.9
175.07524	10.1
175.14842	13.0
177.16399	12.5
186.13527	7.8
187.14795	21.9
189.16338	20.2
191.14397	8.0
191.17999	8.9
193.12236	10.4
199.14723	13.4
201.16414	19.7
202.16655	8.3
203.10664	13.3
203.14343	14.0
204.11053	14.1
205.15833	12.8
207.17511	11.7
231.17281	9.0
232.81331	7.8
242.12473	10.4
249.18492	16.5
256.21429	10.7
364.50430	7.1
409.31116	13.2
419.33185	10.4
426.31076	8.4
436.29095	9.4
437.30347	22.2
447.79578	8.0
454.30103	14.7
455.30731	23.7
455.35605	29.7
473.32565	27.9
490.23322	15.0
490.32373	9.8
491.30444	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94090	2.5
55.05510	13.8
57.07077	19.9
59.05009	3.0
67.05511	19.8
68.99786	3.0
69.03445	3.3
69.07066	12.2
71.04987	5.2
79.05495	11.6
81.07058	26.7
82.56230	2.4
83.04978	28.2
83.08634	6.8
85.02913	2.6
85.06562	5.0
91.05486	12.5
93.07055	22.9
95.08605	39.6
97.06525	9.7
99.04459	4.0
105.07035	18.5
107.04946	3.9
107.08596	31.9
109.06523	9.6
109.10174	19.5
111.04431	4.0
111.08089	4.2
117.07088	4.0
119.08601	32.0
121.06486	6.8
121.10143	26.8
123.08072	5.6
123.11699	9.3
125.02364	3.8
125.06000	4.4
125.09631	3.4
131.08574	7.7
133.10144	19.8
135.08049	5.9
135.11664	20.7
137.05977	8.9
137.09608	7.6
137.13266	3.2
139.03911	9.9
139.07536	4.3
143.08525	4.1
145.10135	11.4
147.11708	14.4
149.09645	6.9
149.13245	9.4
151.11192	23.7
153.05495	3.5
153.09123	3.0
153.12773	3.2
157.10191	3.6
159.08063	5.0
159.11700	10.9
161.09712	6.4
161.13293	4.6
163.07539	3.9
163.11169	7.1
163.14835	5.0
165.09106	4.6
165.12804	3.4
167.03401	41.6
167.10706	7.2
171.11671	3.2
173.13254	5.3
174.13995	2.5
175.07579	3.7
175.11171	6.5
175.14833	9.2
177.09090	8.9
177.16391	7.8
179.03488	3.5
179.10675	5.0
179.14362	3.4
183.10181	4.1
183.11748	3.1
185.13234	3.4
187.14833	10.9
189.16360	29.1
191.14290	3.0
191.18044	4.3
193.12256	4.1
195.10216	13.1
201.16409	4.7
203.10567	2.7
203.17960	11.0
205.08594	6.0
205.15871	24.1
207.10139	3.3
207.13800	5.2
207.17456	8.2
221.15500	3.1
223.09647	75.4
223.11800	4.5
235.09627	4.0
241.10742	9.6
249.14876	20.2
251.16376	12.9
263.16473	4.0
275.10587	2.9
291.15894	11.7
299.09048	7.7
301.23425	2.9
303.15961	3.3
361.19675	3.2
389.19354	8.5
391.34204	3.3
399.17963	6.2
401.19382	3.8
407.19937	2.8
409.34766	13.1
427.35516	10.7
437.34375	14.1
438.35413	3.5
445.25903	23.0
455.24167	7.0
455.35464	14.6
473.25400	100.0
473.35696	18.2
490.38629	4.8
491.25745	3.1
491.32126	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	490.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.3
54.92252	3.6
55.05513	13.7
57.07074	12.3
67.05499	42.9
69.07069	21.9
69.17368	36.1
70.06602	14.3
71.04990	10.0
73.75018	3.7
74.03958	4.0
79.05484	21.1
81.07044	33.8
82.07382	5.6
83.08605	12.5
85.06558	6.9
88.07634	15.9
91.05473	23.8
92.05794	5.0
93.07046	28.9
94.07372	6.5
95.04945	4.1
95.08606	50.8
96.08910	5.7
97.06531	7.6
97.10160	9.0
102.09205	13.4
105.07034	27.4
106.07365	4.5
107.08597	38.4
109.10152	36.0
110.10526	7.1
111.08059	5.9
111.29533	3.4
119.08580	28.9
120.08904	5.2
121.06509	8.0
121.10130	33.1
122.10521	9.4
123.08089	5.3
123.11717	10.6
125.09621	4.2
127.21239	4.1
131.08582	15.7
133.10135	19.7
135.11676	19.0
137.05988	13.0
137.09616	3.7
139.11183	4.3
143.08563	5.7
145.10172	15.6
147.11702	17.0
149.13335	8.7
153.01805	8.3
153.12778	5.4
157.10219	8.5
159.11720	15.6
161.13304	13.1
163.14804	20.5
167.10771	4.3
169.10081	4.1
173.11790	4.4
173.13271	7.3
175.14899	4.9
177.16405	4.2
181.15894	11.0
181.39497	4.7
187.14876	12.3
189.16356	9.5
190.09683	4.2
191.14192	5.4
191.17917	7.6
201.16365	23.5
203.17947	18.4
205.12212	8.5
205.15886	6.1
209.15326	4.8
211.14816	4.8
213.16309	6.7
215.17990	6.1
219.17476	22.4
225.16536	5.6
227.18048	9.1
237.18552	18.7
253.10678	6.0
256.26306	38.2
277.14377	10.0
278.14740	12.8
391.33441	11.0
409.29822	7.3
409.34717	100.0
410.34882	8.8
427.31146	4.0
427.35895	31.2
445.36707	49.5
490.23969	7.0
490.30545	8.5
490.36789	50.1
490.42719	42.4
491.31165	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1183
Annotation	Isoscutellarein 8,4'-dimethyl ether 7-glucuronide
Peak:m/z	Relative Intensity
52.78536	0.2
52.78807	0.3
53.03960	0.4
55.01890	0.4
57.03459	1.0
57.74748	0.3
67.05525	1.0
68.99805	0.3
69.03455	0.9
69.95544	0.3
71.01360	1.4
73.02917	2.6
73.97517	0.3
79.05524	0.8
79.55134	0.3
80.49316	0.3
81.07078	1.4
83.01355	0.4
83.05000	0.4
83.08620	0.3
85.02904	6.3
91.05479	1.3
93.07064	1.2
95.01355	1.0
95.04986	0.8
95.08609	1.4
97.02911	0.7
98.23332	0.5
99.00841	0.4
101.02448	0.3
103.03962	0.6
103.05493	0.7
105.07055	1.1
107.04980	0.6
107.08584	1.4
109.06517	0.3
109.10148	1.3
111.11720	0.3
113.02377	3.6
113.03095	0.3
117.07030	0.4
119.08549	1.3
121.02855	0.3
121.06511	0.6
121.10144	1.3
123.04462	0.8
123.11759	0.5
125.05931	0.3
127.03902	0.3
129.07059	0.3
131.03410	1.6
131.04953	0.4
131.08583	0.4
133.06453	0.3
133.10124	0.5
135.04427	2.6
135.11736	0.4
136.60133	0.3
137.05986	1.1
137.09659	1.1
141.01781	1.5
143.08574	0.3
145.06485	0.4
145.10193	0.6
147.04407	0.3
147.11653	1.3
148.12065	0.5
149.06070	0.5
149.09639	0.6
151.03929	0.9
151.07588	0.7
153.05470	2.0
159.02913	0.9
159.11700	0.5
161.06030	1.1
163.07578	0.8
163.14845	0.3
165.09106	7.8
165.10397	0.5
166.02725	0.3
167.03387	4.0
167.07117	1.0
173.05998	0.3
173.13216	0.3
175.07584	0.6
177.05426	0.4
179.03366	1.7
181.04991	1.1
187.11285	0.3
191.07063	0.8
193.08591	0.5
203.10771	0.3
205.08698	0.6
207.06616	0.3
215.06967	0.3
226.06264	0.4
227.07092	0.3
229.35066	0.3
241.08487	0.3
243.06514	1.8
244.07307	4.2
253.08626	0.3
255.06551	0.4
257.08200	0.6
259.09644	0.5
268.16049	0.3
271.06024	1.1
272.06787	5.7
283.06021	1.2
283.09387	0.5
285.07767	0.6
286.08340	13.1
287.08789	0.6
299.05310	0.3
300.06277	3.9
301.06763	0.5
313.06885	0.3
314.07828	24.0
315.08606	100.0
316.08899	5.3
329.10172	64.4
330.10452	3.4
381.40979	0.3
491.19464	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1522
Annotation	Dolastatin E
Peak:m/z	Relative Intensity
52.45700	0.4
52.61707	0.4
56.49745	0.3
59.05870	0.3
61.35957	0.4
69.29217	0.7
69.29618	2.5
75.66887	0.5
85.02891	0.5
85.52998	0.3
88.31482	0.4
98.23309	0.7
110.07138	0.4
119.46479	0.4
153.01797	0.7
177.05231	1.7
205.04706	100.0
206.05090	3.5
217.04738	1.2
231.06262	1.6
247.05782	1.3
248.06602	1.4
266.07590	30.4
267.08337	9.3
274.72491	0.4
371.11148	0.7
399.10690	1.5
401.11862	2.4
402.12848	0.4
431.13174	1.4
461.14236	3.1
491.15292	73.7
492.15683	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	491.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12027	0.1
60.14740	0.1
67.05477	0.3
69.03436	0.1
69.07045	0.1
79.05461	0.2
81.03391	0.1
81.07026	0.3
85.02884	0.1
91.05469	0.3
93.07029	0.4
95.08583	0.2
98.96046	0.1
100.79975	0.1
105.07018	0.4
107.08579	0.3
109.10126	0.2
113.59599	0.1
117.20386	0.1
119.08559	0.6
121.06503	0.1
121.10119	0.4
123.11654	0.1
129.07034	0.1
131.08539	0.2
133.10104	0.4
135.11641	0.2
137.05945	0.2
137.09586	0.1
143.08528	0.2
145.10117	0.5
147.11621	0.2
149.05901	0.1
151.03899	0.2
151.07518	0.2
155.08583	0.1
157.10068	0.1
159.11627	0.3
161.13309	0.2
163.11147	0.1
165.09135	0.1
167.07005	0.1
171.11668	0.1
173.13266	0.3
175.14769	0.3
177.16360	0.2
181.04938	0.9
185.13269	0.3
187.14766	0.2
189.16301	0.2
193.08542	0.1
199.14781	0.1
203.14346	0.5
205.08537	0.1
205.15868	0.6
229.08682	0.1
257.07904	0.6
258.45892	0.1
285.07660	0.3
286.08334	20.1
287.08716	1.3
313.06769	0.1
314.07816	38.5
315.08154	2.7
315.10867	0.1
329.10156	100.0
330.10495	6.9
409.30899	0.2
413.63879	0.1
437.30579	0.1
451.67941	0.1
491.34335	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1548
Annotation	Cladrastin 7-O-glucoside
Peak:m/z	Relative Intensity
51.73825	0.2
53.03944	0.2
53.70486	0.2
55.05486	0.2
59.04967	0.2
61.02900	0.2
67.05471	0.6
69.03396	0.7
69.03741	0.2
69.07032	0.3
69.51561	0.7
69.51972	0.3
79.05457	0.6
81.03392	0.3
81.07061	1.0
84.91547	0.2
85.02905	1.3
86.16921	0.2
91.05447	0.7
93.07040	0.9
95.04932	0.4
95.08595	1.2
97.02856	0.3
97.10157	0.3
98.23283	0.4
103.05437	0.3
105.07012	1.0
107.04938	0.2
107.08598	0.8
109.06500	0.2
109.10130	0.7
111.04430	0.2
113.02384	0.2
115.05434	0.2
117.06996	0.3
118.04195	0.2
119.05016	0.1
119.08556	0.5
121.06470	0.3
121.10149	0.8
123.08029	0.3
127.03933	0.2
128.06215	0.2
131.08542	0.2
133.10115	0.5
135.04396	0.2
135.08038	0.2
135.11649	0.3
137.05971	0.8
137.09621	0.2
143.08565	0.3
145.10101	0.5
147.11652	0.5
148.12042	0.2
149.05960	0.4
149.09526	0.2
149.13235	0.3
151.03899	0.4
151.07509	0.5
157.10098	0.3
159.11708	0.3
161.05972	0.3
161.09518	0.3
161.13237	0.2
163.03833	0.2
163.07433	0.3
165.09114	0.7
167.03415	0.3
167.07011	0.4
175.07478	0.3
175.14803	0.2
177.05458	0.2
181.04959	1.3
185.13271	0.2
187.14810	0.2
189.09039	0.2
191.07007	0.2
201.12662	0.2
203.14307	0.3
205.08609	0.3
215.14154	0.3
224.03174	0.2
256.07248	0.5
257.08014	0.5
268.07263	0.3
270.09009	0.2
283.09390	0.2
284.06760	0.2
285.07599	2.4
286.08331	22.9
287.08676	1.6
299.05457	0.3
300.06305	0.6
305.17276	0.2
310.57950	0.2
313.07040	8.8
314.07809	44.7
315.08231	3.2
328.08911	0.2
329.10159	100.0
330.10507	6.9
371.11148	0.3
437.30502	0.2
491.15430	25.2
491.33694	0.7
492.15738	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	491.1545
Annotation	Cladrastin 7-O-glucoside
Peak:m/z	Relative Intensity
55.01816	0.4
58.91919	0.3
59.93867	0.3
65.38850	0.3
67.05448	0.5
69.92606	1.1
70.47714	0.3
77.37502	0.3
79.05428	0.6
80.36231	0.4
80.36626	0.4
81.07027	0.5
81.60374	0.3
82.83012	0.3
91.05424	0.5
93.06988	0.5
95.04888	0.3
95.08546	0.7
105.06947	0.5
113.02303	0.8
119.08533	0.4
121.06405	0.4
121.10035	0.6
123.08018	0.4
126.03057	0.5
131.08505	0.6
133.06389	0.9
133.10051	0.6
134.07222	0.4
135.04417	3.8
137.05867	1.0
141.01735	0.5
145.06390	0.4
151.03865	0.4
154.02533	1.1
155.94014	0.3
159.11682	0.4
161.05914	0.7
163.07494	0.4
167.06923	0.5
169.01297	2.1
173.13289	0.3
179.10649	0.3
182.02087	8.8
189.16290	0.3
200.03146	6.7
240.07780	0.5
268.07468	0.3
271.05939	0.9
285.07590	0.7
286.08276	1.3
299.05554	0.7
313.07065	2.4
314.07816	51.0
315.08218	3.0
329.10172	100.0
330.10501	6.1
491.08340	0.5
491.15439	7.3
491.22058	0.6
492.15833	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1545
Annotation	Salvigenin 5-glucoside
Peak:m/z	Relative Intensity
52.61829	0.1
69.03413	0.2
69.54361	0.1
79.05463	0.1
81.07009	0.3
85.02853	0.4
91.05453	0.2
93.07035	0.1
95.08563	0.2
97.02828	0.2
98.22478	0.3
103.05434	0.2
107.04932	0.2
107.08562	0.2
115.36967	0.1
119.08574	0.2
135.08159	0.1
137.05951	0.3
145.10031	0.2
149.05934	0.2
151.03879	0.2
161.05827	0.1
181.04933	0.8
185.36980	0.1
209.82991	0.1
229.20795	0.1
243.06508	1.9
257.08051	0.5
271.05960	1.7
285.07550	0.4
286.08328	25.3
287.08716	1.4
297.07648	0.2
299.05591	0.3
312.06152	0.2
313.06894	0.8
314.07806	56.8
315.08173	3.0
327.08490	0.3
328.09027	0.1
329.10156	100.0
330.10510	6.8
330.13928	0.2
371.11249	0.3
403.98459	0.2
432.11703	0.1
491.15451	45.6
492.15826	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	491.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.7
53.03951	0.6
54.58932	0.7
55.01873	1.5
55.05507	3.0
57.07046	0.6
64.68563	0.5
65.03931	2.4
66.04697	0.8
67.05497	6.3
69.07059	2.5
69.31805	4.6
79.05486	6.9
81.07051	8.2
83.04968	1.4
83.08607	1.9
85.06555	0.8
88.68060	0.8
89.03917	0.7
91.05476	24.5
92.05830	0.8
93.07050	5.7
94.04185	5.5
95.04964	4.6
95.08611	7.1
97.06541	1.4
97.10159	1.2
98.23283	1.4
103.05470	9.5
105.07028	7.7
107.04939	4.3
107.08569	5.9
109.06523	2.6
109.10166	3.1
111.04446	0.9
111.08064	0.8
112.31613	0.6
115.05477	1.8
117.03336	0.9
117.07021	3.6
119.04934	13.9
119.08579	4.7
121.06499	2.1
121.10133	5.8
122.03645	10.1
123.04464	0.8
123.11705	2.0
125.05923	1.0
125.76745	0.6
128.06221	1.2
129.06993	1.4
130.07838	0.8
131.04936	6.7
131.08577	3.5
133.06494	2.7
133.10143	3.7
134.10477	0.6
135.04419	1.4
135.08038	1.6
135.11693	3.2
136.05191	1.7
137.05974	100.0
138.06317	2.9
139.11194	1.0
141.06993	0.8
143.04857	1.0
143.08530	1.9
145.06479	4.9
145.10121	7.5
147.04419	2.6
147.07988	1.0
147.11702	2.4
148.05212	1.5
149.02367	1.0
149.05978	5.3
149.09613	1.5
149.13240	1.9
151.03934	2.8
151.07536	59.0
152.07852	2.7
153.05519	0.8
153.09090	1.5
155.08548	0.8
157.06503	1.2
157.10159	1.0
158.07280	1.8
159.08038	2.5
159.11708	1.8
160.05283	0.8
160.12096	0.8
161.05959	6.9
161.09592	0.9
161.13260	1.9
163.07536	7.0
163.14825	1.0
164.08357	1.0
165.06981	0.9
165.09123	6.7
167.07138	1.0
167.08578	1.7
167.10648	1.1
169.06480	0.7
169.10130	1.2
171.07997	2.4
171.11729	0.8
173.05981	1.4
173.09618	11.1
173.13248	1.4
175.07530	3.6
175.14812	1.0
176.08200	1.0
177.09093	2.5
177.12732	0.8
177.16344	1.1
179.06961	1.6
179.08482	0.7
186.22278	0.7
187.07561	2.2
187.14864	0.8
189.09071	2.0
191.06891	0.8
191.18011	1.0
193.05048	1.0
193.08632	1.0
195.08038	1.8
195.10043	1.2
201.09122	3.1
203.10645	2.8
204.11072	1.1
205.06750	0.7
205.08624	2.1
205.12233	25.9
206.12604	1.2
207.08148	1.1
210.06796	0.9
211.07587	0.7
213.09119	3.8
213.11124	1.5
216.09383	1.0
218.07207	0.7
219.07939	0.7
223.13321	1.3
224.08321	1.3
225.09105	2.7
231.11740	0.8
233.09686	0.9
235.07622	1.4
235.16919	0.7
235.62340	0.6
239.10579	0.8
240.18896	0.7
243.11720	0.9
244.09090	0.8
245.09555	1.0
247.07550	0.7
248.08443	0.7
249.09148	1.9
251.06987	1.9
251.10747	1.0
253.08339	0.9
256.08902	1.2
259.11081	2.6
261.09116	2.8
263.10553	0.8
265.08643	1.3
267.10233	1.5
268.07785	0.7
271.11276	2.2
273.09076	1.0
276.11475	0.7
277.08679	1.2
279.10077	0.8
283.09604	2.4
285.11185	4.5
287.10675	2.3
288.11392	2.1
289.08496	2.0
289.12335	1.2
290.09149	0.8
291.10147	1.5
291.13638	1.3
292.10620	0.7
295.09778	0.9
297.11179	2.4
299.10590	2.2
303.10416	0.9
303.13745	1.4
304.10873	3.2
305.08057	0.9
305.11386	1.0
309.11224	2.3
310.11859	1.3
311.12949	1.0
315.12155	0.9
317.11630	2.0
318.12073	0.9
319.13223	8.2
321.14850	0.8
323.12936	1.0
325.14328	2.4
331.13190	2.7
337.14578	5.7
349.14258	6.0
367.14990	0.9
397.14392	0.9
418.13580	0.9
423.16025	1.0
425.13876	0.7
426.14450	1.6
438.30841	1.4
440.16467	1.4
441.16974	2.2
445.33475	3.1
455.18201	2.1
455.31497	1.1
456.31650	0.9
461.19400	2.8
473.19525	6.7
473.32867	1.8
474.13727	1.0
474.19974	0.9
491.20004	1.3
491.25659	0.9
491.30640	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.8
53.03942	3.9
55.01873	10.4
55.05510	15.1
57.03436	3.1
57.07069	1.3
59.05005	2.1
65.03943	4.1
67.05162	1.3
67.05505	16.4
69.03433	1.3
69.07072	7.3
69.87514	2.8
71.01357	0.9
71.04993	4.0
77.03953	1.4
79.05492	25.6
81.03421	10.0
81.07059	25.1
83.01348	5.3
83.04989	10.1
83.08606	8.2
85.02903	3.5
85.06535	1.7
88.01943	0.7
89.03918	1.3
91.05475	33.6
92.05827	1.1
93.03407	1.4
93.07046	26.3
94.04198	5.5
95.04970	11.8
95.08607	13.3
97.02888	1.4
97.06540	4.5
97.10164	2.7
98.22675	1.0
99.04423	1.2
99.08112	1.3
103.05473	12.5
105.03379	0.8
105.04536	1.4
105.07030	17.5
107.04957	21.6
107.08591	15.1
109.06532	10.0
109.10150	7.6
110.10517	0.9
111.04438	4.2
111.08068	2.5
115.05460	6.1
116.06255	0.8
117.03412	1.3
117.07014	8.6
119.04948	10.6
119.08577	12.8
121.06505	6.7
121.10151	13.9
122.03647	11.6
123.04444	1.8
123.08074	7.1
123.11700	1.9
125.05979	2.8
125.09633	3.7
128.06229	3.0
129.07002	5.9
130.07767	1.3
131.04918	9.0
131.08565	7.3
133.06490	4.7
133.10132	6.2
135.04391	3.6
135.08046	4.7
135.11685	12.9
136.05165	1.3
137.05974	100.0
137.09596	2.3
137.13281	1.3
138.06303	2.1
139.03909	1.0
139.07539	1.9
139.11195	1.1
141.06993	2.0
141.09073	0.9
143.04971	1.4
143.08597	4.3
144.05605	0.8
145.06456	5.1
145.10123	17.1
146.10442	0.8
147.04376	2.6
147.08040	3.6
147.11716	3.4
148.05240	2.1
149.02379	1.0
149.05962	11.4
149.09622	2.6
149.13307	1.8
151.03923	11.7
151.05006	1.6
151.07542	36.5
151.11180	1.2
152.07874	1.2
153.05466	3.5
153.06796	0.7
153.12752	2.9
155.08585	2.8
157.06502	5.8
157.10138	1.6
158.07278	1.4
159.08061	2.7
159.11696	3.1
160.05200	1.4
161.05986	9.5
161.09634	1.2
161.13278	1.3
163.07553	12.6
163.11183	22.1
164.08275	3.0
165.05460	2.1
165.06898	1.5
165.09111	4.0
167.07043	4.4
167.08540	2.2
169.06508	1.5
169.10127	2.3
171.08043	1.7
171.11612	1.9
173.05954	3.4
173.09598	5.0
173.13235	2.3
174.06670	1.3
175.03926	2.1
175.07556	13.4
175.11340	1.0
175.14914	0.9
177.09122	1.5
177.12762	1.0
178.07759	1.5
179.07098	1.3
179.08508	1.6
179.10597	0.9
181.06409	1.2
181.08543	1.1
181.12207	4.4
182.07268	0.9
183.07999	0.9
183.11655	1.0
185.05995	1.6
185.09645	1.9
185.13280	1.4
186.06718	1.8
187.07538	2.5
187.11153	1.1
187.14796	1.3
188.08466	1.0
189.09091	6.3
189.16367	1.1
191.07031	1.6
191.10674	3.5
191.14380	1.0
193.10194	1.6
194.07233	0.8
195.08105	3.0
196.08833	1.2
197.09669	1.8
198.06874	1.2
201.09129	4.6
203.07004	2.0
203.08734	1.7
203.10686	1.5
203.18044	1.3
204.11346	1.2
205.08601	1.3
205.12262	5.7
205.16142	0.9
206.07214	0.9
207.08025	2.3
207.09978	0.8
209.11656	6.1
211.07599	1.2
213.09090	4.2
215.10559	3.7
219.08090	1.7
219.10141	1.1
219.13808	0.9
220.08742	0.9
221.09618	2.6
221.11565	1.2
223.07550	1.5
224.08276	1.8
225.09053	5.0
227.12802	3.2
231.08037	2.5
233.09627	1.8
234.06757	1.7
235.07484	4.0
238.09821	1.2
239.06949	1.3
239.10703	2.4
243.10071	4.6
243.13696	1.6
245.09596	1.8
247.07610	1.6
248.08382	1.9
249.09099	5.8
250.09692	0.8
251.06985	2.1
252.07697	1.0
253.08591	1.5
254.09364	1.0
259.11313	1.7
259.20633	1.0
261.09061	3.7
263.06912	1.0
263.10663	2.2
265.05670	0.9
265.08441	1.6
266.09363	1.3
267.10117	5.0
273.09149	1.7
274.10077	0.9
276.07788	1.6
277.08615	6.0
277.11667	1.2
277.21643	1.3
279.10156	1.9
280.11145	1.1
281.08493	1.6
281.11691	9.3
283.09650	2.3
285.11212	11.3
286.11340	1.0
287.10690	2.4
288.11496	1.0
289.08685	1.7
289.11987	1.5
290.09305	1.2
291.10144	3.2
293.11801	1.5
294.08841	2.1
295.09558	2.2
297.11154	2.8
299.09161	11.7
299.12787	10.9
304.10892	2.7
305.11487	1.0
307.09558	1.6
309.11169	13.7
310.12006	5.5
311.12750	3.0
314.07779	2.2
317.11639	1.7
319.09940	1.4
319.13370	4.4
323.12677	2.4
325.14349	1.1
329.10205	3.9
331.13211	2.0
337.14340	7.5
339.15875	1.6
349.14368	7.3
350.14856	1.1
367.15509	5.1
418.14105	1.3
431.14746	1.0
440.16309	0.9
441.16986	1.5
455.18326	2.1
459.27341	2.2
461.19458	1.8
473.19589	26.0
474.19547	1.9
491.20432	6.0
491.26355	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	491.2273
Annotation	Deoxylimononic acid D-ring-lactone
Peak:m/z	Relative Intensity
55.01873	5.5
55.05509	6.3
65.03944	4.1
67.05507	13.4
69.03429	10.2
69.07061	9.0
69.40472	7.4
69.40887	6.3
71.04993	10.8
72.30669	2.4
79.05489	12.3
81.03403	3.6
81.07055	20.1
83.04965	6.5
83.08598	2.3
91.05476	20.3
93.07052	18.6
95.04961	6.1
95.08599	16.8
97.06516	7.6
103.05483	6.2
105.07023	19.9
107.04952	3.7
107.08606	15.9
109.06507	6.3
109.10156	10.7
115.05474	3.1
117.07005	5.7
119.04933	5.5
119.08550	17.9
119.30310	2.5
120.08755	2.7
121.06499	8.6
121.10152	13.8
123.04415	2.9
123.11688	8.3
125.05993	6.6
125.09631	3.5
128.06221	5.3
129.07016	3.3
131.04955	2.3
131.08572	10.4
133.06499	7.9
133.10120	14.1
135.08037	6.4
135.11705	12.1
137.05960	25.6
137.09616	5.2
138.62993	2.3
143.08528	12.0
145.06395	3.0
145.10143	9.4
146.40387	2.3
147.04384	18.9
147.08057	7.3
147.11674	5.9
148.05264	2.5
149.06013	14.0
149.09662	6.4
149.13272	4.4
151.03914	23.0
151.07535	23.1
157.06607	3.4
157.10078	4.3
159.08061	7.7
159.11658	5.7
160.05157	2.5
161.05974	11.8
161.09608	5.2
161.13272	6.5
163.07587	12.4
163.11157	4.2
163.14825	3.4
165.09105	8.0
167.07025	4.1
171.08015	4.5
171.11833	4.7
173.09634	9.8
173.13260	4.6
175.07538	9.1
175.14783	5.1
177.09097	30.4
177.12804	2.4
177.16409	3.1
179.07008	6.9
179.08682	2.5
179.10765	2.3
186.10448	2.4
187.07535	5.5
187.11082	2.8
187.14812	3.9
189.09097	30.4
189.12593	2.5
189.16403	3.3
191.07013	5.5
191.10718	6.6
191.14247	5.4
193.08690	5.8
199.14857	3.0
201.09033	3.6
201.16411	3.8
202.09871	2.8
203.07103	2.7
203.10677	9.0
203.14308	3.1
205.12181	5.3
213.09123	4.4
215.14296	3.9
217.08588	3.7
217.12262	4.6
221.15291	2.7
227.10837	3.1
228.11292	4.9
233.15448	7.3
237.14838	4.6
239.07077	3.2
239.10638	3.4
241.12282	4.3
243.13791	12.1
245.11752	10.0
245.15479	3.6
247.13326	19.6
247.17104	2.5
259.13324	15.9
261.14911	15.4
269.11670	7.7
270.08658	3.4
273.14844	4.4
281.11835	3.0
287.12823	7.0
289.14343	6.2
297.11295	5.1
297.14883	8.0
299.09506	3.3
299.12848	10.5
301.14343	3.4
303.12286	6.5
311.12869	5.3
311.16241	5.4
315.12582	2.7
315.15775	12.2
321.14862	3.3
323.12732	2.4
325.14075	6.1
329.17447	6.9
339.15799	17.0
343.15359	11.9
357.16891	17.3
367.15277	10.5
367.19293	5.5
385.16370	21.3
385.20203	4.8
385.30972	4.8
386.31305	16.5
395.18466	6.0
403.21616	3.1
413.19608	17.9
427.21201	27.7
437.19739	11.4
455.14539	4.6
455.20639	86.4
455.30893	5.3
456.20889	4.7
456.31229	2.7
473.21698	100.0
474.21857	10.9
491.20590	5.3
491.30426	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	491.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68941	1.9
51.02388	2.1
53.03948	10.7
55.01868	5.6
55.05508	6.3
57.03436	4.8
58.04996	1.7
65.03945	2.4
67.05505	10.7
68.99776	1.6
69.03423	12.2
69.07065	4.4
71.01344	2.3
71.04994	4.0
73.75479	1.8
75.04491	2.5
77.03906	2.2
79.05489	32.7
79.63436	2.1
81.03416	13.0
81.07059	16.5
84.76389	1.8
85.02895	14.2
85.06579	3.0
87.04502	1.7
91.05484	31.4
93.07047	78.5
95.04977	9.3
95.08600	14.1
97.02910	8.2
98.22623	5.2
99.04447	4.5
103.05463	13.2
105.03424	2.7
105.07030	23.8
107.04964	10.0
107.08598	25.5
109.02862	8.2
109.06520	2.6
109.10172	8.6
111.04411	4.9
111.08082	3.0
115.05472	4.2
117.07018	9.4
119.04937	6.2
119.08564	20.5
121.06506	9.5
121.10147	100.0
122.10467	3.3
123.04441	3.7
123.08119	3.6
123.11702	7.9
125.06068	1.9
127.03931	13.5
128.06248	2.9
129.07014	4.7
131.04936	8.8
131.08575	9.5
133.06496	5.3
133.10146	6.1
135.08051	4.9
135.11674	2.3
137.02359	2.2
137.05969	26.1
137.09615	7.1
141.06989	2.2
143.08585	3.8
145.04927	2.5
145.06432	9.1
145.10141	4.1
147.04395	11.3
147.08072	2.1
147.11690	5.2
148.05214	2.1
149.05978	4.0
149.09639	17.2
149.13266	2.2
150.06778	2.6
151.03912	16.7
151.04973	3.4
151.07533	20.5
151.11154	3.7
153.05484	2.7
155.08572	2.6
157.06535	3.6
157.10170	2.9
159.08070	5.2
159.11647	2.5
161.05934	5.5
161.09616	2.2
161.13258	3.0
163.07556	6.9
163.79675	1.8
165.05518	3.5
165.09138	21.7
167.07022	13.4
167.10703	11.9
169.06488	2.4
171.08177	4.3
171.11658	2.5
173.05997	3.5
173.13260	3.7
174.06688	3.3
175.07584	7.4
175.14857	3.5
176.43475	1.8
177.05484	3.9
177.09097	12.0
179.07199	2.4
181.04945	6.9
181.06493	2.8
181.08598	8.6
181.10094	2.3
183.08080	3.0
185.09702	2.1
187.07620	3.6
189.09119	5.7
189.12663	2.2
189.16318	2.2
191.07045	7.0
191.10724	3.0
193.08577	23.0
193.10170	2.6
194.08986	2.4
195.08160	2.1
197.06012	3.6
201.09146	4.1
203.10655	4.9
205.08554	16.2
205.15823	1.8
207.10156	2.5
209.09726	2.1
211.07497	4.4
213.09140	2.1
215.10703	3.7
219.10204	4.0
223.11163	2.4
225.09024	2.8
227.10764	2.7
229.08578	5.5
233.11632	3.6
247.09785	3.1
255.13838	3.8
257.15515	2.7
271.09613	3.4
273.14731	2.8
283.16901	4.2
289.10745	2.5
293.14050	2.5
301.17853	2.9
311.16284	5.4
329.10196	4.5
329.13907	4.6
329.17514	5.1
415.42667	2.1
455.30991	2.8
473.32315	3.5
491.19583	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.7
55.05504	3.0
63.03510	1.1
67.05510	12.5
69.03429	3.4
69.07052	3.4
71.04975	4.2
79.05479	3.3
81.07038	7.6
83.01344	5.1
83.04965	2.5
83.08636	1.4
85.06567	1.3
91.05470	3.7
93.07027	4.1
93.49641	1.2
95.04958	5.3
95.08594	5.2
97.06524	4.6
98.22610	3.8
99.04450	1.3
102.30704	1.4
105.07020	4.7
107.04948	1.6
107.08582	2.2
109.06495	4.6
109.10146	6.1
113.06004	19.5
119.08575	4.0
121.06508	3.9
121.10115	1.7
122.52010	1.2
123.04411	4.0
123.08079	5.5
125.09621	1.7
129.06950	1.7
131.08569	2.6
133.06479	8.9
133.10103	3.1
135.07997	2.6
137.05956	12.8
137.09563	1.8
141.05469	4.3
143.08557	2.1
147.08037	4.5
147.11697	2.5
149.05954	6.2
151.07552	13.0
156.09390	1.8
157.06465	1.5
157.10069	3.4
161.09589	2.7
163.07686	1.5
165.05473	1.4
165.09116	22.6
174.10403	2.6
175.07545	16.3
175.11176	4.1
177.09042	2.9
178.06213	3.5
179.07095	2.0
183.56903	1.3
184.08885	1.5
185.09627	2.6
187.07564	2.1
189.09096	4.4
189.12755	1.6
191.06998	3.8
192.07817	5.6
193.08597	70.5
193.12253	4.8
194.09039	4.0
199.11234	3.3
202.09846	1.9
203.07056	3.9
203.10631	7.0
205.08588	2.9
207.10216	2.9
209.09584	2.0
211.09641	100.0
212.08257	1.5
212.10008	4.0
217.12216	14.0
218.12663	1.9
219.10258	1.3
219.13762	1.9
221.08212	1.6
221.11708	3.7
227.10718	7.7
228.10956	1.3
230.09351	4.5
235.13287	35.8
237.11143	1.7
245.11731	42.1
246.12018	2.8
247.13307	7.8
263.12778	76.3
264.13040	4.0
265.14352	14.6
279.15619	1.7
281.13821	79.7
282.14175	4.0
413.15759	4.2
455.20615	1.8
491.31564	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	491.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	2.1
62.42131	1.6
64.34689	1.4
65.03947	4.6
67.05492	4.3
69.03426	6.9
69.07061	2.7
71.01314	1.5
79.05496	6.2
81.03416	5.3
81.07035	7.8
83.04979	2.8
85.02898	4.2
91.05476	6.8
93.07005	4.0
95.04974	6.3
95.08616	3.7
96.41932	1.5
97.02908	3.6
103.05431	1.6
105.04391	2.0
105.07033	9.2
107.04943	4.8
107.08600	15.8
109.02905	1.8
109.06523	4.4
109.10146	7.0
113.51266	1.7
115.05480	2.7
117.07016	2.4
119.08596	5.4
121.02859	100.0
121.06487	3.6
121.10147	10.8
122.03215	1.9
122.07261	3.4
123.04409	1.7
123.08016	2.1
127.03923	3.6
129.06979	2.1
131.08482	2.6
133.10121	82.0
134.10484	2.0
135.08049	5.4
137.05980	7.0
137.09613	41.8
137.10625	2.5
138.09912	2.1
139.03889	17.0
145.10139	2.3
147.11662	2.3
149.09625	2.3
149.13268	7.1
151.07529	2.3
153.01848	11.6
157.31622	1.6
158.10965	1.8
163.11061	1.5
165.09106	9.3
166.09421	4.6
167.07086	2.9
173.13264	3.9
181.05038	1.8
191.14301	26.5
209.15268	1.8
265.07114	10.3
283.08084	9.2
286.08401	8.0
314.07727	12.6
329.10199	33.9
394.64734	1.6
491.15237	10.8
491.35776	3.8
492.16635	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
55.01868	1.5
55.05500	1.9
59.49072	0.8
65.03965	1.0
67.05502	2.9
69.03416	1.1
69.07126	1.8
69.07571	7.0
75.10046	0.8
79.05489	3.3
81.03418	1.2
81.07058	5.6
91.05470	12.8
93.07035	3.9
94.03651	0.8
94.04185	3.5
95.04968	2.8
95.08602	3.7
97.06512	1.0
103.05450	8.2
104.06244	2.5
105.07016	9.3
106.04180	0.9
107.04931	4.2
107.08604	3.6
109.06498	5.4
109.07104	0.7
109.10184	1.9
112.41714	0.8
115.05463	9.7
115.82975	0.8
115.85235	0.9
117.07018	8.1
119.04918	3.6
119.08571	4.8
121.06536	1.7
121.10154	3.4
122.03641	9.2
123.11690	1.0
128.06212	3.4
129.06982	2.3
130.07791	1.3
131.04904	9.2
131.08589	3.8
132.05717	4.1
133.06493	8.0
133.10120	2.2
135.08101	1.3
135.11716	1.6
137.05968	100.0
138.06339	2.5
141.06993	1.4
142.07813	0.9
143.04877	2.2
143.08565	5.6
144.05708	2.3
145.06490	7.2
145.10098	11.5
146.07254	1.1
147.04390	2.5
147.08031	5.3
147.11667	2.3
148.05171	1.6
149.05998	3.1
149.09644	1.5
151.03896	21.2
151.05022	1.8
151.07526	14.9
151.11218	1.1
153.07002	1.5
155.08603	1.6
158.07272	2.7
159.08076	4.4
159.11682	1.7
160.05186	7.4
160.08791	1.1
161.05956	2.3
161.09615	1.4
161.13257	1.4
162.06821	1.2
163.07524	9.4
164.08267	0.9
165.06952	1.4
165.09108	4.7
168.05658	1.1
168.09373	1.1
169.06483	1.1
169.10072	1.2
171.08041	2.9
173.09607	13.4
173.13206	1.1
175.07533	64.7
175.11168	2.5
176.07990	3.1
177.09132	1.7
178.07718	2.0
179.07188	1.1
179.08527	5.1
180.09282	0.9
181.06494	2.3
181.10147	1.3
183.08057	1.4
183.11752	4.1
185.13188	1.4
186.06631	0.8
187.07567	1.3
187.11171	0.9
187.14864	1.2
188.08295	1.8
189.09123	2.7
191.07024	1.3
191.10631	5.8
192.09270	1.0
193.10164	2.4
195.08115	3.2
196.05243	1.4
196.08731	4.2
197.09613	1.4
199.07497	2.6
199.14871	0.8
200.08200	2.2
201.09071	5.9
201.16505	1.2
202.09871	0.9
203.10672	11.9
205.12234	50.4
206.07344	1.4
206.12561	1.4
207.08040	6.1
208.08746	1.3
209.09650	1.0
210.10439	1.9
211.07582	2.0
211.11157	11.5
212.11900	2.0
213.09224	3.9
214.09860	5.4
215.10687	2.9
215.14357	0.9
217.12222	1.0
220.08766	1.9
221.06078	1.5
221.09607	2.4
223.07521	2.0
224.08334	4.3
225.09192	1.9
228.11476	4.3
229.12250	2.4
234.06700	0.9
235.07553	10.4
235.11191	3.0
236.08119	1.3
237.09079	1.7
238.09810	4.7
239.06982	2.4
239.10693	5.2
243.13788	75.4
244.14101	4.4
248.08270	1.0
249.09148	3.1
249.14818	1.2
251.07170	2.2
252.07875	2.2
253.08508	2.5
253.12425	1.5
257.08035	1.2
263.10721	3.2
265.08691	2.7
266.09308	3.1
267.10147	8.6
267.13358	1.6
268.10950	1.1
269.08087	2.9
270.09106	0.8
271.13339	1.3
273.11078	0.9
281.11722	12.0
282.12033	0.9
283.09735	1.4
284.10309	1.2
292.11044	0.8
295.13260	9.4
297.11142	0.9
299.09305	4.3
299.12744	77.6
300.13040	5.5
300.16187	1.1
307.13156	2.1
311.12729	1.7
313.10645	1.3
315.27121	0.9
327.15811	7.8
329.10138	1.0
335.16498	1.4
339.15820	1.6
353.17474	3.6
367.19028	44.9
368.19235	4.1
455.31006	0.9
457.36371	1.0
491.25925	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	491.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
55.01877	2.0
55.05503	3.3
57.03428	0.9
63.01144	0.8
65.03947	1.5
67.05499	5.9
69.07062	3.9
69.24288	2.7
69.24711	4.5
79.05485	7.0
81.03420	1.0
81.07066	7.0
83.04973	2.8
83.08624	1.4
91.05474	13.4
93.07036	6.9
94.04184	3.8
95.04957	3.2
95.08604	5.9
97.06512	1.7
103.05466	8.3
104.06252	1.1
105.07034	9.2
107.04957	5.7
107.08568	4.5
109.06519	5.3
109.10156	2.7
111.04403	1.9
115.05443	7.6
117.07018	6.8
119.04948	5.6
119.08588	4.2
121.06504	2.9
121.10124	4.3
122.03645	9.0
123.04441	1.2
123.08068	1.9
125.09650	1.1
128.06252	2.5
129.06982	1.8
131.04941	7.7
131.08537	4.5
132.05713	4.4
133.06483	7.3
133.10117	3.2
135.04405	1.2
135.08047	1.6
135.11713	2.8
137.05969	100.0
138.06334	2.5
141.07028	1.8
142.07845	1.4
143.08615	5.2
144.05725	1.9
145.06439	5.9
145.10150	10.0
147.04391	2.7
147.08070	4.8
147.11714	1.4
148.05177	1.7
149.02385	1.2
149.05978	3.8
149.09602	0.9
151.03912	21.3
151.05011	1.5
151.07541	15.8
151.11191	1.3
153.06970	1.3
155.08585	1.4
157.10095	1.8
158.07260	2.3
159.08058	3.1
159.11707	2.1
160.05194	6.2
161.05975	2.6
161.13235	1.5
163.07533	7.5
163.11188	1.2
164.08295	2.1
165.05499	1.5
165.06866	1.0
165.09071	6.7
168.09363	2.0
169.10092	1.1
171.08047	3.4
171.11650	1.3
173.09621	11.6
173.13216	1.7
174.06816	1.1
175.04018	2.7
175.07536	59.6
175.11137	2.6
175.14757	1.4
176.08035	3.2
177.08977	0.9
177.12814	1.0
178.07774	1.7
179.07077	1.0
179.08478	4.5
181.06496	3.5
181.10056	1.3
182.07294	1.1
183.11644	4.3
187.07605	1.1
188.08295	1.9
189.09082	3.5
191.10646	6.8
193.10092	1.5
195.08075	3.2
196.08891	4.8
196.10371	0.9
197.09636	3.3
199.07545	2.3
200.08310	1.9
201.09114	4.4
203.10681	10.9
204.11459	1.4
205.12242	41.8
206.12630	1.8
207.07993	4.2
209.05943	1.4
209.09735	1.0
210.10289	1.5
211.07610	2.6
211.11154	12.9
212.11865	1.6
213.09125	3.2
214.09871	4.9
215.10687	2.5
215.14224	1.5
219.07994	1.2
219.10059	1.1
220.08833	1.3
223.07532	2.7
224.08206	4.1
225.09058	2.5
228.11427	3.6
229.12125	1.1
231.13821	1.0
234.06836	1.3
235.07532	11.3
235.11220	3.0
237.05424	1.0
238.09894	4.3
239.07178	4.3
239.10713	7.0
241.08467	2.2
242.05647	0.8
243.13797	62.4
244.14137	3.1
244.24196	0.9
245.09435	1.0
247.07777	1.8
248.08386	2.6
249.09134	3.2
251.06935	1.8
252.07742	2.1
253.08578	2.7
253.12189	2.7
256.10760	1.2
257.08240	1.9
263.10721	2.7
265.08517	2.0
266.09357	3.3
267.10126	7.3
267.13251	1.4
268.45511	0.9
270.08694	1.4
271.13248	1.5
277.08661	1.5
281.11700	10.0
283.09592	3.0
284.10297	1.2
286.35693	1.0
291.10275	1.2
295.13217	9.0
297.11304	1.4
299.09134	7.1
299.12729	67.6
300.13205	2.6
307.13260	2.8
323.12741	1.2
327.15918	8.2
329.10123	1.4
335.16187	1.0
339.15900	2.9
353.17365	4.0
367.19034	38.7
368.19382	3.8
432.68701	0.9
459.27658	1.0
473.35971	2.6
491.25955	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20893	1.3
53.03945	2.0
55.01875	2.7
55.05495	2.3
65.03925	2.8
67.05495	7.6
69.03400	1.8
69.07063	3.8
69.45215	1.5
69.48506	7.4
71.33393	1.3
79.05483	11.2
81.07036	10.0
83.04982	1.6
83.08612	2.6
91.05470	33.3
93.07050	5.5
94.04188	5.0
95.04949	3.7
95.08602	8.0
97.10162	1.5
103.05460	11.8
105.07021	25.1
107.04961	4.4
107.08604	3.8
109.06507	4.4
109.10161	4.8
115.05453	4.3
117.07005	6.6
118.40524	1.4
119.04932	16.5
119.08588	5.8
121.06542	1.9
121.10155	3.8
122.03666	7.1
124.05249	1.8
128.06224	3.1
129.07025	2.0
131.04929	8.6
131.08551	5.2
133.06471	20.1
133.10133	4.0
135.08119	1.5
135.11678	3.6
137.05971	100.0
138.06282	2.8
141.06960	1.9
143.04887	2.0
143.08609	9.2
145.06482	7.0
145.10135	9.9
147.04482	1.6
147.07979	3.2
147.11711	3.0
148.05139	2.1
149.06001	2.6
149.13245	2.5
151.03929	8.5
151.07529	68.3
153.06973	1.6
155.08586	3.4
157.10187	2.5
158.07297	2.6
159.08046	3.5
160.05145	3.4
161.09549	1.4
161.13164	2.6
163.07532	9.6
163.14891	1.7
165.09109	57.5
168.09338	4.3
169.06537	2.3
171.08072	7.7
173.05928	1.5
173.09587	10.2
174.06537	1.5
175.07533	17.9
175.11147	4.1
177.09145	4.4
179.08641	2.0
179.10591	1.4
181.06477	5.0
181.10077	1.8
183.11681	10.3
185.09639	1.7
187.07689	2.0
188.08287	8.6
189.09120	4.8
191.10652	5.8
193.10139	6.0
195.08032	2.9
196.08850	9.4
201.09018	2.8
202.09857	2.0
203.10661	26.1
204.11246	1.8
205.12247	26.4
207.08049	3.7
209.09560	1.6
211.11174	41.2
212.11671	2.6
213.09138	8.0
215.10747	1.9
217.12230	2.2
219.08080	2.6
224.08328	2.2
227.10690	1.8
228.11446	5.5
229.04906	1.5
229.12137	1.8
235.07538	5.4
235.16823	1.9
238.09842	2.9
239.10704	4.6
240.07716	2.9
243.13788	42.4
244.14128	2.2
249.09076	3.0
251.06963	2.1
251.10620	2.1
252.07689	1.9
253.08757	1.6
254.09421	3.7
259.09714	6.7
265.08578	3.1
266.09415	2.0
267.10086	3.4
268.07217	1.9
269.07977	2.7
275.10724	1.6
277.08643	1.7
278.09540	1.7
279.10071	3.6
279.13571	1.5
280.23660	2.3
281.11691	5.6
283.09619	10.1
291.10114	4.2
292.10806	1.9
293.11575	2.0
293.15179	1.9
295.12952	1.7
297.11176	20.8
299.12762	36.0
304.47272	1.5
307.13312	17.4
307.16699	1.5
311.12735	4.3
315.15826	3.5
321.14856	8.3
323.12775	4.6
325.14377	1.9
335.16351	2.8
338.15045	9.1
339.15869	15.5
352.16721	1.7
353.17444	33.4
367.19012	90.5
368.19257	7.5
491.29868	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	491.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.2
53.77030	0.8
55.05515	1.4
56.35209	0.9
65.03960	1.1
67.05505	2.7
69.07070	2.5
69.47876	5.3
76.78207	1.0
79.05493	3.4
81.07047	4.0
83.08633	1.4
86.47861	1.1
89.65913	0.8
91.05501	9.5
93.07056	1.6
94.04189	3.9
94.49708	0.8
95.04978	1.7
95.08611	3.0
97.06593	0.9
98.22678	1.9
103.05467	7.9
104.06235	1.9
105.07044	6.6
107.04971	3.4
107.08599	2.1
109.06494	5.0
111.04433	1.1
115.05464	8.4
117.07029	7.8
119.04941	4.2
119.08622	3.3
121.06529	1.4
121.10158	1.7
122.03651	10.1
128.06247	2.9
129.07007	1.9
130.07819	1.6
131.04939	8.6
131.08601	1.6
132.05713	3.5
133.06483	6.7
133.10136	1.1
135.04315	1.0
135.08095	1.5
135.11736	1.8
137.05984	100.0
138.06306	2.6
141.06943	1.7
143.04984	1.6
143.08583	4.1
144.05667	1.2
145.06487	5.8
145.10138	9.0
147.04395	2.4
147.08020	4.6
147.11696	1.3
148.05203	2.2
149.06003	3.2
151.03912	13.6
151.05014	1.5
151.07533	11.3
153.06932	1.3
155.08540	1.4
157.06528	1.4
157.17813	0.9
158.07268	2.2
159.08095	5.2
160.05235	5.4
160.08870	1.8
161.05969	1.2
162.06723	1.2
163.07530	6.7
165.09158	3.6
168.09373	1.2
169.06541	0.9
171.08070	3.8
173.05992	1.0
173.09624	13.5
175.07550	64.6
175.11186	3.0
176.08084	1.6
177.09157	1.3
178.07820	1.4
179.07141	1.2
179.08597	3.6
181.06500	2.9
181.10132	1.0
182.07196	1.1
183.08028	2.1
183.11739	2.2
185.09546	1.0
186.06789	1.1
187.07558	1.3
188.08337	2.1
189.09105	2.7
189.16359	1.4
191.10628	5.1
192.09200	1.5
193.10120	2.4
195.08101	3.0
196.08850	3.9
197.09619	2.7
199.07550	3.2
200.08276	1.6
201.09134	3.7
203.10651	11.8
204.11392	2.2
205.12250	49.2
206.12668	1.5
207.06337	1.3
207.08046	5.0
209.09651	1.4
211.07645	2.3
211.11151	8.9
212.11792	1.0
213.09122	3.7
214.09863	5.5
215.10646	2.3
215.14301	2.0
220.08731	1.6
221.63417	0.8
223.07535	2.0
224.08318	3.5
225.09096	2.3
227.06934	1.5
228.11494	3.3
229.12141	2.1
234.06699	0.9
235.07574	11.7
235.11211	1.8
236.07965	1.1
237.09067	1.8
238.09877	5.1
239.06976	3.0
239.10652	6.5
241.08571	2.4
243.13817	73.7
244.14252	2.3
249.09155	3.6
251.07080	1.7
252.07893	2.5
253.08540	2.1
253.12213	1.7
257.07941	1.4
263.10709	2.5
265.08664	2.3
266.09479	2.9
266.59982	1.1
267.10202	7.2
267.12823	1.0
267.13788	0.9
268.10843	1.4
269.08127	1.8
270.08951	2.2
281.11841	11.1
283.09698	1.7
284.10379	1.0
295.13263	9.2
299.12790	71.5
300.13226	5.1
307.13239	1.4
311.12738	1.5
323.12943	1.2
327.15857	6.9
339.16058	2.1
353.17499	4.2
367.19058	45.2
368.19440	2.9
428.16840	1.1
491.31601	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	491.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.7
65.03927	2.9
67.05492	3.7
68.66331	1.2
69.07050	1.7
70.65237	2.5
70.65572	2.6
79.05493	8.1
81.07057	4.0
84.17320	1.2
91.05478	36.3
92.05833	1.9
93.07034	4.5
94.04199	2.3
94.78091	1.5
95.04972	5.7
95.08604	3.0
103.05463	11.1
105.07028	30.3
107.04916	2.1
107.08575	4.0
109.06512	2.8
109.10187	2.0
111.08070	1.7
115.05450	4.4
117.07001	3.6
119.04942	21.5
119.08559	2.7
121.06503	1.5
121.10147	1.8
122.03650	6.6
128.06197	4.0
129.06993	1.8
131.04958	6.8
131.08560	2.8
133.06483	26.0
135.11703	2.4
136.05176	2.6
137.05972	100.0
138.06337	4.8
138.68767	1.7
141.07066	2.2
143.08565	13.3
145.06464	5.7
145.10104	4.4
147.08049	2.8
147.11667	1.7
149.05968	4.5
149.09618	1.5
151.03915	4.8
151.07541	88.6
152.07887	4.0
153.07043	2.3
155.08524	3.0
159.08044	4.6
159.11713	1.7
161.05981	2.7
161.09641	1.6
163.07529	6.5
165.09109	77.5
166.09389	2.6
168.09386	5.1
169.06488	2.2
169.10135	2.0
171.08058	9.7
173.06000	2.5
173.09644	4.4
175.07567	7.8
177.09103	4.8
181.06534	3.4
181.10081	2.3
183.11678	16.2
186.06586	1.7
187.07582	2.2
187.11172	1.8
188.08322	9.7
189.09042	4.7
191.10669	4.3
193.10147	4.4
195.11829	1.5
196.08878	10.0
197.09401	1.6
201.09152	3.2
202.09802	2.3
203.10652	31.6
203.12482	2.5
204.11066	4.5
205.12225	5.2
208.08772	1.7
209.09615	1.9
211.11171	38.0
212.11713	2.8
213.09114	5.1
217.12263	1.6
219.11789	1.6
223.10887	1.9
224.08345	1.5
225.09085	1.8
228.11426	6.9
235.07535	2.0
237.09082	2.0
239.06941	2.0
239.10756	3.2
240.07770	2.5
243.13802	32.7
244.14203	2.0
245.09445	1.5
249.09099	1.7
250.06114	2.4
251.06888	2.1
252.00276	1.7
253.08449	2.7
254.09450	3.9
259.09634	11.1
261.09183	2.2
263.10742	2.5
264.07834	2.2
264.11365	2.0
265.08554	4.0
266.09100	1.9
267.10120	2.8
268.07452	2.0
275.10739	2.8
277.08624	4.2
278.09381	1.9
278.13110	1.5
279.10287	3.2
279.13571	3.2
281.11795	2.3
282.08926	2.4
283.09653	14.7
284.10104	1.9
289.12256	1.7
291.10162	6.8
292.10883	4.2
295.13333	2.7
296.10168	2.1
297.11166	25.8
298.11789	3.0
299.12643	11.6
300.12833	2.1
301.14474	2.8
303.13614	2.7
306.12589	2.0
307.13303	19.1
307.16638	1.7
311.12766	7.2
315.15820	5.4
316.15955	1.6
321.14810	15.9
323.12857	10.1
325.14304	3.0
329.10278	1.8
335.16312	3.0
338.15103	13.5
339.15839	17.5
353.17484	52.9
354.17700	4.0
367.19028	77.6
368.19257	5.7
491.24896	5.1
491.27261	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	491.3368
Annotation	Homaline
Peak:m/z	Relative Intensity
53.03936	0.5
53.04905	0.2
55.01863	0.7
55.05506	2.3
57.03433	1.2
57.07064	0.5
57.16152	0.2
62.69567	0.3
65.03952	0.4
67.05502	6.6
69.03434	1.9
69.07066	1.5
69.13078	2.4
71.04982	0.8
73.02926	1.4
75.68355	0.2
77.03933	0.3
79.05490	3.4
81.03399	1.0
81.07059	8.2
83.05005	1.2
83.08613	1.1
85.02911	1.6
85.06539	1.7
87.04457	0.5
87.91463	0.3
88.32205	0.2
91.05473	3.4
93.07044	3.8
95.04962	1.9
95.08611	5.5
97.02898	1.7
97.06529	0.8
97.10157	1.0
103.05450	1.0
105.04505	0.4
105.07034	3.5
107.04942	2.4
107.08595	3.7
109.06522	1.6
109.10156	8.7
110.10504	0.4
111.08064	0.6
115.03927	1.1
115.05445	0.4
117.07007	1.4
118.43398	0.3
119.04972	0.5
119.08578	5.2
120.08955	0.3
121.06519	1.9
121.10137	2.3
122.07281	2.4
123.04399	0.3
123.08058	0.9
123.11715	6.7
125.09603	0.8
127.03965	0.3
128.06285	0.3
129.06993	0.9
131.04929	0.4
131.08597	1.8
133.04994	0.5
133.06505	0.8
133.10130	2.2
135.08087	1.3
135.11711	1.5
137.05980	2.4
137.09615	14.1
139.07481	0.3
140.02112	0.3
143.08559	1.1
145.04977	0.7
145.06471	0.8
145.10081	1.5
147.04361	0.4
147.08029	1.3
147.11697	1.2
149.06026	0.5
149.09624	1.1
149.13310	1.2
151.03877	0.8
151.07542	1.2
153.05519	0.3
155.08598	0.4
155.10695	0.8
157.10106	0.8
159.08031	0.7
159.11681	1.0
161.05957	0.9
161.09570	0.5
161.13246	1.0
163.07533	0.7
163.11137	0.7
163.14850	2.0
165.09113	100.0
166.09482	3.0
167.07135	0.6
169.10115	0.4
171.07990	0.3
171.11697	0.6
173.09625	0.6
173.11832	0.4
173.13263	0.9
175.07521	0.5
175.11166	0.9
177.05464	0.4
177.16463	0.4
179.07005	0.3
179.44701	0.3
181.15921	2.4
183.10143	0.7
183.11662	0.4
185.09781	0.3
185.13272	0.6
187.11148	0.5
187.14787	0.7
189.09125	0.8
189.12749	0.8
189.16362	0.8
191.06989	0.3
191.10667	0.7
191.14340	0.4
193.12270	0.6
195.11800	0.3
201.11230	1.7
201.12830	0.3
203.07063	0.6
203.14349	0.8
205.08643	0.3
205.12242	0.6
205.15875	1.0
207.17480	0.4
219.13826	0.9
229.15852	0.4
247.16847	0.3
272.00214	0.3
286.08432	0.7
289.17972	0.3
293.24936	0.3
311.09198	0.6
312.09756	0.4
312.13184	0.5
313.09839	0.4
313.14267	0.7
314.07803	3.8
315.08224	0.7
329.10153	6.8
330.10367	0.6
338.12186	0.8
339.25272	0.7
367.22525	1.2
385.23816	1.3
403.25101	0.3
404.24762	0.3
409.30945	0.5
427.32254	0.4
432.19415	0.4
455.31506	0.3
459.27277	1.9
473.32513	1.0
483.21863	0.3
491.14749	1.3
491.22015	0.4
491.29745	3.7
492.21362	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55013	6.2
55.05499	25.7
67.05494	53.6
69.03410	10.9
69.07059	27.3
69.13322	42.7
69.13747	24.9
71.04990	13.8
79.05484	31.8
81.07062	57.9
83.04974	13.2
83.08612	15.1
85.06527	10.9
87.04495	10.3
89.97324	7.4
91.05462	39.0
93.07059	60.0
95.04960	8.7
95.08597	66.6
97.06521	15.9
97.10179	15.0
105.07003	49.9
107.04875	7.9
107.08596	66.0
108.08849	7.9
108.78564	6.6
109.06517	7.4
109.10125	48.0
111.08095	10.6
113.09570	6.6
119.08587	58.6
121.10142	59.4
123.08051	11.0
123.11698	29.3
125.09649	17.0
127.11215	12.6
129.06944	7.4
131.08603	18.7
133.06543	8.9
133.10112	35.8
135.08076	8.3
135.11691	27.3
135.99944	7.3
137.05969	13.7
137.09586	10.8
143.08549	11.6
145.10100	33.1
147.11676	32.5
149.09579	19.2
149.13255	17.5
151.07607	11.5
151.11195	10.2
157.10095	17.3
159.11705	23.8
161.09619	12.0
161.13258	24.4
163.11194	21.7
163.14848	18.6
165.09111	100.0
171.11722	15.3
173.13206	13.2
175.11227	14.2
175.14777	13.9
177.09048	7.0
183.11784	8.0
185.13225	8.9
186.53654	7.1
187.14865	14.2
189.12683	13.7
189.16338	20.0
191.14281	9.6
203.10539	6.9
203.14265	9.9
203.18054	15.0
205.12254	26.2
205.15842	28.2
207.17412	20.8
213.16290	10.2
231.13988	9.0
231.17296	11.4
235.16977	14.4
249.18523	19.8
261.43069	7.5
335.69415	7.5
439.32382	12.0
455.35522	16.3
473.36224	10.5
491.30341	80.9
502.25290	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	492.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.1
55.01876	6.7
57.03439	16.2
59.04998	3.5
60.04527	1.9
61.02927	7.9
67.05510	1.0
69.03427	41.4
70.34947	2.5
71.01348	3.8
71.04994	2.1
73.02915	39.4
73.03215	0.6
73.03342	1.1
79.05480	2.0
80.31047	0.9
81.03410	4.8
81.07088	1.3
85.02904	50.4
86.55782	0.8
87.04466	17.9
91.03962	2.2
91.05470	4.6
93.07052	3.9
95.04960	1.7
95.08572	1.0
97.02892	42.4
98.03210	1.1
99.04440	3.0
103.03964	1.7
103.05466	6.5
105.07028	2.1
107.04940	2.9
109.02873	4.1
111.04433	0.8
115.03927	41.6
117.07038	1.6
117.09141	0.7
119.04910	1.3
121.02830	1.2
121.06515	15.4
121.10098	1.8
123.04424	1.9
125.02342	2.5
127.03922	11.9
129.05428	0.8
131.04907	2.0
132.06479	0.9
133.04959	43.2
134.05238	1.2
135.08018	2.6
137.05978	3.1
139.03879	0.8
140.04671	22.4
144.06578	0.8
145.04951	18.2
145.06456	2.4
145.10172	1.0
149.02374	1.0
149.05974	19.7
150.07634	2.8
151.03918	1.7
153.01842	6.3
153.05452	12.4
154.05916	0.7
159.08080	0.9
160.08382	1.0
161.05957	1.7
162.07709	0.8
163.03940	0.8
163.06003	4.1
163.07512	2.4
164.04584	0.9
167.07031	3.1
173.05959	4.0
177.05467	1.1
179.07028	0.9
181.08589	100.0
182.08929	3.8
187.07523	1.2
189.09009	0.9
191.06990	2.6
193.04938	1.4
193.08531	1.8
199.06009	1.0
203.07047	2.4
205.08594	7.8
206.08813	1.0
217.08640	3.5
223.06036	2.3
223.09680	1.3
231.10162	1.6
241.06950	4.4
247.09700	1.0
259.07935	1.3
270.52890	0.8
277.10791	9.5
291.10233	1.8
313.12769	1.0
313.94373	0.9
323.12762	2.4
329.13712	0.9
330.10522	2.3
330.14111	2.1
359.81857	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	5.8
57.03440	22.7
59.04992	6.9
69.03418	67.9
71.04981	5.3
71.32935	6.4
73.02913	13.9
77.71695	3.4
85.02888	47.0
87.04462	43.8
91.05476	8.9
92.08350	3.5
93.07050	6.3
97.02886	63.4
100.29087	3.5
103.05463	11.8
105.07021	8.4
107.04980	5.8
109.02909	4.4
111.04446	4.4
113.35433	3.6
115.03917	65.5
117.07005	6.5
119.04927	5.0
121.02814	3.8
121.06503	25.4
125.02377	5.6
125.42937	3.3
127.03909	8.2
133.04958	61.8
133.10098	4.8
135.08102	5.0
137.05984	41.7
138.06340	6.8
139.03909	6.0
140.04677	26.4
145.04961	9.4
149.05971	21.7
151.03955	8.1
151.07536	15.6
153.01805	9.8
153.05461	13.0
161.05977	7.1
163.07547	7.6
167.07027	24.0
173.05980	6.4
173.34930	4.1
181.05025	4.0
181.08577	100.0
181.10069	6.6
182.09071	5.2
187.07631	4.0
195.48503	3.4
196.37209	3.6
205.08495	9.5
217.08543	4.4
221.05952	3.5
277.10654	11.0
317.06641	12.7
335.08054	3.9
403.07172	4.0
492.30203	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	492.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	2.5
55.01855	4.7
59.58487	2.0
67.05505	3.0
68.86755	2.0
69.03432	4.7
69.15623	19.5
79.05492	3.6
81.03423	4.0
81.07031	5.4
85.02916	13.4
91.05482	7.0
93.07066	5.0
95.04981	4.1
95.08605	5.2
97.02895	3.9
98.23363	5.0
103.05478	16.7
105.07008	6.2
107.04950	4.4
107.08597	4.6
109.06509	2.7
109.10197	2.8
119.04922	4.1
119.08582	4.1
121.06509	5.9
121.10176	3.0
123.04451	4.9
128.06189	10.4
131.04965	6.9
133.06500	4.4
135.08047	4.9
137.05965	31.2
137.51700	2.3
143.08585	12.7
145.04962	3.5
148.05171	5.1
149.05956	20.3
151.03915	25.2
151.07538	20.7
159.11830	2.5
161.05971	14.1
161.09688	2.1
163.07547	21.6
164.08319	5.2
165.09145	3.6
167.07095	2.6
171.08080	14.0
174.06818	3.5
181.04964	5.3
181.08569	3.0
182.05359	2.7
189.09126	44.4
194.02922	2.3
194.09085	2.2
203.10641	3.5
209.08026	3.1
210.08751	4.6
242.52573	2.3
245.79170	2.4
263.10776	2.7
278.06543	2.2
313.14328	100.0
314.14801	7.1
330.26468	2.5
492.16394	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	492.223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.7
55.01871	4.1
55.05515	8.5
57.03441	4.2
59.05001	1.8
66.52037	1.5
67.05508	9.7
69.03419	8.3
69.07065	4.3
69.94566	4.4
74.86652	1.5
78.04750	1.5
79.05491	12.9
81.03430	15.6
81.07067	12.3
82.07368	1.5
83.04960	3.9
83.08622	6.9
85.02905	17.6
85.06559	1.4
91.05476	18.9
93.07045	8.8
95.04969	9.8
95.08618	7.0
97.02895	7.8
97.10131	2.2
99.04459	1.6
101.80184	1.5
103.05485	17.7
105.07030	12.1
107.04950	4.0
107.08609	7.8
109.02827	1.5
109.06564	3.8
109.10152	5.4
111.04437	1.9
111.08106	2.5
115.05472	1.8
117.07020	4.2
119.04962	4.9
119.08587	7.7
121.06509	4.3
121.10153	3.7
122.03688	2.2
123.04468	4.8
127.03873	2.3
128.06252	12.8
129.07042	2.2
131.04926	11.3
131.08580	4.3
133.06505	4.2
133.10135	4.6
135.08110	2.0
135.11725	3.4
137.05991	32.5
137.09604	2.4
143.04906	2.4
143.08615	8.0
145.05020	2.5
145.06532	1.8
145.10190	3.1
147.04430	4.5
147.08080	2.6
147.11708	2.9
148.05199	16.3
149.05983	4.8
149.09714	2.4
151.03931	1.9
151.07542	17.3
157.10158	2.6
159.11638	1.7
161.05980	13.6
163.07556	19.8
163.11197	3.7
164.08351	6.8
165.09135	7.1
171.08067	10.3
174.06749	2.1
175.11160	3.0
189.09108	34.7
191.10713	2.6
193.12238	7.2
193.13857	1.9
203.10780	2.0
209.11797	2.2
211.07492	2.3
211.13365	5.1
223.07541	2.1
225.43307	1.8
226.18336	1.7
228.31116	1.7
229.08633	2.5
239.07057	4.6
245.07997	1.8
254.09328	3.8
257.08157	3.7
272.10434	27.6
273.10831	2.1
313.14346	100.0
314.14639	7.6
323.95459	1.4
350.76971	1.7
410.27814	1.9
428.29242	1.9
446.18204	1.6
475.27228	3.0
493.28149	13.9
508.09283	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
55.05500	2.6
57.07074	7.9
58.99582	1.5
65.03931	1.8
67.05499	2.2
69.07070	12.2
69.29999	1.1
69.30399	5.0
71.08620	3.4
73.12845	0.6
79.05492	11.1
81.07050	2.3
83.04972	2.4
83.08575	1.4
87.02691	4.7
91.05479	100.0
92.05820	2.0
93.07028	3.0
95.04971	1.5
95.08612	2.0
97.06524	0.9
101.04203	0.9
103.05460	7.6
105.07028	52.9
106.06618	3.6
106.07835	7.2
107.08595	4.6
109.10154	2.2
111.04448	0.9
119.08582	1.2
121.10138	2.0
123.11683	1.0
133.06488	41.8
133.10139	1.3
134.07288	24.9
135.08054	79.0
135.11597	1.3
136.08388	2.6
137.04207	2.9
143.08873	2.7
147.08032	0.8
147.11690	1.0
151.07541	17.6
151.11090	1.2
157.10173	1.0
159.08002	0.8
159.11665	0.9
161.09746	0.8
165.03697	41.6
166.04053	1.3
167.03438	2.4
167.05267	8.2
168.03740	0.9
169.37875	0.8
175.34171	0.8
179.05275	11.9
181.10114	4.7
183.04741	1.1
185.13377	0.7
187.11194	1.0
195.10213	1.2
196.11185	0.7
198.12784	67.0
199.13086	3.4
223.09644	4.4
224.09926	3.7
225.07608	2.1
229.15802	0.8
252.16823	0.9
257.10165	1.2
277.16187	27.2
278.16547	1.4
292.16299	0.7
295.17258	99.1
296.17603	5.9
330.18256	1.5
446.26157	2.0
456.24890	0.8
474.25900	8.5
492.26334	1.3
492.32996	1.3
493.33011	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	492.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	2.1
55.05505	18.6
57.07074	8.9
60.25241	1.9
67.05502	25.0
69.07059	30.4
69.22223	4.3
69.22626	13.3
71.04996	8.8
71.08637	3.0
77.03926	2.6
79.05478	19.3
81.07055	51.4
83.04987	2.3
83.08615	18.6
85.06541	16.1
91.05453	16.0
91.47797	2.1
93.07039	39.3
95.04987	4.4
95.08599	68.1
97.06537	7.7
97.10167	13.4
98.23360	4.5
99.04466	5.5
99.08090	5.2
105.07024	51.6
105.07711	3.2
107.08588	58.9
108.08972	2.5
109.06529	5.9
109.10147	61.5
110.10530	2.5
111.08090	7.2
113.09637	5.6
117.07005	6.4
119.08576	59.0
120.08939	3.1
121.06567	4.8
121.10140	43.7
123.08080	6.5
123.11699	29.0
125.09620	2.8
127.07555	3.3
127.11212	9.1
129.06984	4.1
131.08554	39.1
133.06441	3.6
133.10127	48.9
133.51289	2.0
134.10457	2.2
135.08049	3.5
135.11682	37.5
136.12067	2.2
137.05959	3.9
137.09656	4.9
137.13251	13.8
139.07513	2.7
139.11134	3.0
141.09074	3.2
142.07843	3.3
143.08499	10.3
145.10118	44.6
147.11671	43.5
149.09636	8.2
149.13231	24.5
151.11191	5.2
151.14761	3.0
153.09076	5.3
153.12787	2.8
157.10112	15.0
159.11668	44.8
161.09665	2.8
161.13249	28.5
162.13696	2.8
163.11171	10.7
163.14809	11.0
164.64796	2.3
165.12767	5.2
167.10695	6.1
169.12230	2.8
171.11676	20.0
173.13245	71.3
175.11201	4.2
175.14798	27.6
177.12808	8.9
177.16362	11.5
179.14301	3.9
181.12270	9.7
183.11763	5.0
185.13260	19.9
187.11212	2.4
187.14806	41.3
189.12787	6.7
189.16386	18.5
191.10704	2.3
191.14287	8.4
191.17934	10.7
193.15872	4.3
195.11742	2.2
195.13812	3.9
197.13281	5.9
199.14798	19.8
201.12805	3.7
201.16389	15.7
203.14349	6.3
203.17975	12.0
205.12280	3.5
205.15886	10.8
205.19501	3.4
207.13954	3.0
207.17549	4.6
211.14728	4.2
213.16412	13.0
215.14304	3.0
215.17891	14.2
217.15807	4.0
217.19582	5.7
219.13857	8.5
219.17429	3.6
221.15297	4.4
223.13196	4.7
223.16963	6.8
225.16498	2.9
227.14343	2.9
227.17920	8.3
229.16020	3.7
229.19553	8.3
231.17523	3.6
233.15381	7.9
237.16508	3.3
237.18491	14.7
241.19469	12.9
243.17580	2.7
243.21002	5.5
245.18874	2.9
253.19795	2.5
255.17372	3.3
255.21042	13.3
256.26346	3.5
257.19165	3.2
259.20621	3.1
263.09174	4.0
269.22577	2.8
271.20428	3.1
273.22168	2.5
274.39569	2.2
277.21753	3.4
283.20496	2.9
285.22363	2.8
287.20169	2.8
297.25714	2.7
303.19601	2.4
313.21939	2.3
367.29980	3.0
375.30426	8.2
385.31311	2.8
393.31458	46.0
394.31955	4.4
401.30316	2.8
411.32544	100.0
412.33060	11.7
413.34277	4.8
421.30991	19.5
429.33627	18.7
439.32031	93.7
440.32416	10.9
449.34097	2.7
457.32980	32.4
458.33524	5.0
475.34183	49.9
476.34656	4.6
492.31329	7.6
492.36920	8.7
493.33920	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	492.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
55.01875	2.3
55.05519	15.6
57.03434	2.5
57.07063	7.8
67.05502	24.2
69.07066	21.7
69.52329	5.4
69.52755	6.9
71.05002	4.2
79.05486	17.2
81.07053	47.4
83.04971	3.7
83.08598	18.3
85.06535	15.6
88.12994	1.7
88.61892	1.9
91.05471	18.7
93.07040	42.0
95.04955	3.8
95.08601	62.1
97.06531	7.2
97.10159	8.7
99.04449	7.7
99.08078	3.7
101.06028	4.1
105.07027	49.4
107.08588	57.3
109.06512	4.8
109.10145	59.2
111.08083	4.3
113.09638	3.0
115.07563	3.3
117.07020	8.3
119.08577	63.1
121.10145	48.8
123.08063	7.2
123.11706	29.5
125.09679	3.1
127.11198	4.6
128.06172	2.1
129.07001	5.6
129.08994	1.9
131.08562	39.8
133.10126	47.7
133.11121	3.0
134.10484	2.8
135.08026	5.6
135.11688	32.7
137.05965	3.3
137.09639	3.5
137.13252	11.8
139.11224	4.3
143.08556	10.8
144.09326	2.5
145.10129	41.3
147.08076	2.7
147.11688	49.1
148.11978	3.7
149.05930	2.5
149.09589	10.1
149.13232	23.6
151.07597	2.6
151.11169	6.0
151.14825	3.3
153.09131	5.4
155.08578	3.1
155.10619	2.4
157.10165	14.6
158.10905	2.8
159.11688	50.4
161.09602	3.5
161.13252	28.3
163.07526	2.0
163.11189	7.3
163.14761	9.5
165.12704	4.4
167.10677	8.5
169.10106	4.6
171.11659	16.1
173.13251	71.0
174.13574	3.7
175.11241	3.3
175.14845	24.8
177.09116	3.5
177.12814	8.8
177.16380	9.5
179.14326	3.8
181.10083	2.2
181.12190	9.7
183.11690	6.5
185.13245	22.7
186.13841	2.2
187.11267	2.0
187.14806	45.0
189.12732	5.6
189.16382	16.9
191.14302	7.5
191.17870	10.0
193.12189	2.5
193.15862	2.9
195.11887	3.0
195.13805	6.1
197.13307	6.5
199.14804	24.9
201.12775	4.0
201.16385	18.6
203.14255	5.2
203.17921	11.0
205.12230	3.0
205.15901	9.2
205.19537	3.0
207.13954	2.3
207.17572	2.6
211.14751	4.4
213.16362	8.5
215.14305	4.3
215.17932	12.9
217.15855	5.2
217.19453	5.3
219.06528	2.5
219.13834	7.5
219.17438	5.2
221.15332	3.0
223.16933	7.3
225.16367	3.1
227.17928	6.1
229.15950	2.6
229.19446	9.3
231.13960	2.1
231.17438	2.4
233.15340	9.7
233.18939	2.3
237.18439	17.2
239.17896	4.5
241.19380	10.3
243.20976	3.8
245.15305	3.7
245.19058	2.3
247.20587	4.0
249.18629	3.3
255.17513	2.5
255.21092	14.9
256.26334	3.3
257.18839	4.7
257.22675	2.9
259.20422	3.2
269.22595	2.1
273.22150	4.2
275.16415	2.4
283.20407	2.9
287.20212	2.5
297.26236	2.0
301.18088	2.5
301.21368	2.4
311.20258	2.2
313.21063	2.1
367.29941	3.3
369.24216	6.2
375.30444	7.0
377.31729	2.1
385.30640	2.0
393.27002	3.2
393.31491	35.7
394.31897	3.2
411.32538	100.0
412.32852	11.5
413.34409	4.1
421.30972	20.3
429.33826	16.1
439.32068	99.6
440.32645	11.0
457.33057	36.6
458.32858	3.0
475.34171	52.3
476.34387	5.7
492.30844	3.1
492.36688	10.8
493.27399	5.4
493.34137	15.7
517.86517	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	14.6
56.86902	3.9
57.07049	5.7
67.05499	17.3
69.03423	5.5
69.07062	17.8
69.21397	22.3
69.21800	9.7
79.05488	22.3
81.07052	42.4
83.08628	11.6
85.06524	4.2
90.22025	4.0
91.05468	23.6
93.07040	41.9
95.04991	5.7
95.08606	61.3
97.06538	7.5
97.10191	4.5
98.22444	4.5
105.07033	34.2
107.08598	67.4
109.06578	3.9
109.10157	38.8
111.08106	8.0
117.06998	6.9
119.08579	57.6
121.10128	47.8
123.08099	7.4
123.11746	18.5
125.09645	6.8
126.12783	3.9
131.08575	19.0
133.10123	47.7
134.10443	4.7
134.19370	4.3
135.11678	36.3
137.06009	16.7
137.13326	4.1
138.70375	4.3
141.09126	6.9
143.08580	6.3
143.10707	7.3
145.10124	35.5
147.11655	31.0
149.06036	5.3
149.09676	4.8
149.13277	17.4
151.03914	7.4
151.07521	5.3
157.10159	10.7
159.10419	5.4
159.11644	29.2
161.13274	36.0
163.14865	14.7
163.54520	5.1
171.11671	7.6
173.13229	22.4
175.14809	44.7
179.14290	4.9
187.14787	29.3
189.16403	41.6
191.17949	47.3
197.13258	5.2
199.14807	8.0
201.16359	21.0
203.17963	6.6
205.15871	5.9
207.17474	16.3
213.16431	12.7
215.17912	5.1
227.17885	9.2
231.17485	9.0
237.57706	4.2
241.19574	7.5
297.25748	100.0
315.26791	69.8
353.28094	6.0
371.19684	5.1
371.29517	6.3
421.34781	19.5
439.35822	53.2
457.36807	81.6
458.37149	8.7
492.27573	12.1
492.40067	7.7
493.23373	11.1
493.28302	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	492.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	9.0
64.04816	3.6
67.05507	29.1
69.07065	16.6
79.05483	8.5
81.07053	29.2
83.08616	14.2
85.06520	4.4
91.05473	10.8
93.07014	10.2
95.04940	4.9
95.08598	31.2
97.06513	5.5
99.08105	5.7
103.05446	3.6
105.07033	19.6
107.08599	27.5
109.06465	3.5
109.10161	100.0
110.10460	3.6
111.08035	4.4
119.08568	22.6
121.10155	24.2
123.11678	14.9
125.09602	6.0
127.11104	5.3
131.08551	8.2
133.10112	17.2
135.08081	6.3
135.11667	12.2
137.05908	4.2
143.08553	5.2
145.10110	11.5
147.11678	16.4
149.13261	12.3
157.10194	4.9
159.11700	13.5
161.13266	11.3
163.11176	5.2
163.14824	8.6
171.11679	6.1
173.13194	8.4
175.14804	9.8
177.12807	5.3
177.16357	3.5
185.13353	4.0
187.14809	9.3
189.16374	10.0
199.14819	5.6
201.16429	9.7
205.15845	10.6
207.17421	4.8
207.82735	3.6
210.85303	3.6
215.18018	4.9
217.15962	3.5
219.17474	5.2
229.19644	5.1
231.17577	4.3
339.26724	9.0
340.26407	3.3
357.27808	20.9
421.34662	12.8
439.35858	51.2
457.28433	4.6
492.29849	5.2
493.29898	47.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.0989
Annotation	2,12-Dichloroisoplagiochin
Peak:m/z	Relative Intensity
51.53447	0.4
55.01845	0.5
57.03423	0.4
59.04981	0.4
61.02922	0.6
67.05506	0.4
69.03435	2.7
71.04964	0.7
78.60339	0.4
81.03407	1.1
85.02901	6.4
87.04485	0.5
87.55300	0.4
97.02878	2.3
99.04456	0.6
103.05476	0.4
105.07037	0.5
109.02850	0.9
110.25288	0.4
127.03909	1.9
131.04970	0.7
137.05956	2.2
144.01978	0.6
145.04997	0.9
151.03909	2.8
151.07521	0.8
153.01781	0.7
161.05911	0.6
163.07547	0.4
171.04315	0.4
187.03929	0.5
189.01956	0.6
189.09178	0.5
193.08670	0.4
215.03418	0.8
217.01288	0.7
225.01816	5.3
228.00516	3.3
232.03564	0.4
237.14301	0.5
241.01370	0.4
242.02014	0.4
243.02893	1.0
245.00822	0.9
246.14928	1.6
246.65030	0.9
253.01276	6.8
256.00009	1.5
257.00754	0.7
260.03107	1.1
270.01642	0.6
271.02365	12.3
272.02640	0.5
273.00308	2.5
283.99557	3.2
285.00256	0.7
298.01007	0.5
299.01825	37.5
300.02209	3.1
300.96262	0.4
300.99750	8.6
301.03098	0.3
302.00003	0.5
316.02100	21.3
317.02432	1.2
331.04443	100.0
332.04791	5.3
373.05643	0.5
393.62552	0.4
492.30249	9.8
493.17352	0.6
493.29953	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	493.0972
Annotation	6-Methoxykaempferol 3-glucuronide
Peak:m/z	Relative Intensity
55.01870	0.4
57.03434	1.1
65.03922	0.3
67.05489	0.3
68.99778	0.3
69.03421	0.8
69.46854	0.3
69.47283	0.4
71.01003	0.1
71.01354	1.8
71.04969	0.1
73.02917	3.3
75.04487	0.5
79.05477	0.3
81.03402	0.3
81.07044	0.3
83.01335	1.1
83.04976	0.2
85.02901	8.0
86.03225	0.2
86.40632	0.1
91.05473	0.2
93.03397	0.3
93.07032	0.3
95.01330	1.2
95.04967	0.5
95.08623	0.2
97.02882	0.9
98.23263	0.2
99.00812	0.6
99.04390	0.1
101.02364	0.6
103.03941	0.6
103.05443	0.2
105.07008	0.3
107.04947	0.2
107.08585	0.3
109.02878	0.4
111.04475	0.1
113.02364	3.7
117.01701	0.1
117.07035	0.2
119.04939	0.1
121.02868	1.2
121.06520	0.2
121.10119	0.1
123.04430	0.6
123.11656	0.1
125.02351	0.5
127.03910	0.1
129.07024	0.1
131.03395	1.5
131.04903	0.1
131.08595	0.2
133.02849	0.1
133.10117	0.4
134.10495	0.2
135.04428	0.3
137.02338	3.1
137.03357	0.2
137.05989	0.6
137.09624	0.1
140.04680	0.2
141.01833	1.6
141.06943	0.3
145.02849	0.2
145.05106	0.1
145.06430	0.2
145.10121	0.1
147.04424	0.2
149.02325	0.5
151.03894	0.9
151.07541	0.4
151.11203	0.2
159.02890	1.4
159.08026	0.2
161.05975	0.1
163.03864	0.6
163.07524	0.2
165.09193	0.1
167.03397	5.1
167.07008	0.3
168.03778	0.2
169.06488	0.4
173.06007	0.2
177.05505	0.2
179.03387	2.8
180.04073	0.3
181.04938	0.3
181.06439	0.1
182.01993	0.1
183.02863	0.3
187.03833	0.2
187.07588	0.4
191.03317	0.2
193.04953	0.2
197.04472	0.5
197.05948	0.7
200.04651	0.3
201.05406	0.3
205.08614	0.2
209.04420	0.2
215.07008	1.9
219.02940	0.2
225.05414	0.3
227.06880	0.2
233.08046	0.3
241.04913	0.2
242.05595	0.2
243.06522	4.3
244.06778	0.2
253.04955	0.3
260.06799	0.3
261.07547	0.7
271.05972	2.5
272.06451	0.1
287.12653	0.2
288.06259	1.0
289.06979	0.3
297.03928	0.1
299.05551	1.2
315.05048	0.5
316.05713	0.6
317.06531	100.0
318.02951	0.1
318.06888	5.7
331.08115	5.9
332.08453	0.3
493.13254	0.6
517.51062	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	493.0976
Annotation	6-Methoxykaempferol 3-glucuronide
Peak:m/z	Relative Intensity
51.02150	0.2
55.01875	0.3
57.01623	0.2
57.03442	1.0
65.03935	0.3
67.01871	0.2
67.05489	0.3
68.99789	0.3
69.03420	0.7
70.66473	0.5
71.01358	2.0
73.02921	3.3
75.04471	0.2
79.05499	0.3
81.03436	0.2
81.07040	0.2
83.01340	0.2
85.02907	9.2
91.05518	0.2
92.02623	1.1
93.03410	1.5
93.07053	0.2
95.01332	1.6
95.04961	0.2
97.02892	0.6
97.06532	0.2
99.00788	0.4
101.02365	0.5
103.03941	0.6
105.03385	0.2
107.08568	0.2
109.02937	0.2
111.00792	0.2
113.02367	4.4
119.08593	0.2
121.02882	1.2
121.10133	0.2
125.02299	0.2
126.03139	0.5
131.03410	2.2
133.10141	0.4
135.04407	0.2
137.02313	0.4
137.05988	0.5
139.03908	1.0
141.01819	2.0
142.80739	0.2
145.06548	0.2
149.09663	0.2
151.03957	1.2
151.07594	0.2
153.01826	8.6
159.02907	1.7
163.03893	0.4
165.01849	0.7
166.02644	0.2
167.07024	0.3
177.05408	0.3
190.06403	0.2
200.04686	0.2
201.05540	0.8
203.03404	0.6
217.04994	0.8
218.05695	0.6
219.03009	0.2
223.13228	0.2
228.04202	1.8
228.73407	0.2
229.04971	3.9
230.05464	0.3
231.02876	0.6
239.03432	0.3
243.06543	0.2
245.04405	1.5
246.05249	1.8
257.04449	2.5
258.04984	0.2
260.03119	0.6
261.07361	0.2
271.06146	0.3
273.03967	2.0
274.04691	4.8
275.05005	0.3
279.14148	0.2
284.03165	0.5
285.03915	4.9
301.03583	0.3
302.04199	13.8
303.04590	0.6
316.05911	0.3
317.06543	100.0
318.06903	5.1
329.06702	0.2
359.07635	0.2
493.17303	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62314	0.2
53.03953	0.6
55.01872	0.6
55.05507	1.9
57.03445	0.4
57.07079	0.3
57.81982	0.2
60.08175	0.7
65.03964	0.2
67.05498	2.7
69.03436	0.7
69.05813	0.3
69.07056	1.1
71.04994	0.6
71.32985	0.3
79.05491	3.1
81.03421	2.6
81.07056	3.8
83.04974	1.0
83.08604	1.3
85.02901	1.1
85.06527	0.4
87.04407	0.2
91.05467	2.8
92.24641	0.2
93.07037	3.1
94.04215	0.2
95.04977	1.8
95.08611	1.8
97.02899	0.7
97.06539	0.8
97.10174	0.7
99.01511	0.3
99.04478	0.3
103.05469	0.5
105.07013	2.5
107.04939	1.4
107.08607	2.0
109.02835	0.4
109.06532	1.1
109.10155	1.5
111.04433	0.9
111.08102	0.7
115.05505	0.2
117.06990	0.9
119.04921	0.3
119.08566	1.8
121.06516	0.8
121.10139	1.5
122.03658	0.3
123.04451	0.6
123.08089	0.4
123.11713	0.4
125.01693	0.2
125.06014	0.2
125.09621	0.6
126.02481	2.0
127.03212	1.9
127.07513	0.2
128.06248	0.3
129.06995	0.9
131.08565	0.9
133.06441	0.9
133.10101	1.3
135.04492	0.3
135.08055	0.5
135.11685	0.7
136.05116	0.3
137.05977	2.0
137.09613	0.5
139.03949	0.2
139.07480	0.3
139.11198	0.3
143.08595	0.6
145.04283	1.3
145.06512	0.4
145.08623	0.4
145.10127	0.9
147.04433	0.3
147.08116	0.3
147.11670	1.1
149.06001	0.6
149.09621	1.0
149.13211	0.2
151.03914	0.6
151.07469	1.4
151.11176	0.2
153.01820	0.7
153.05415	0.2
153.12837	0.3
155.08461	0.3
157.06628	0.3
157.10127	0.7
159.08037	0.3
159.11710	0.7
161.06007	0.6
161.09613	0.4
161.13287	0.3
163.03926	0.4
163.07561	0.5
163.11188	0.8
165.09155	0.7
167.07072	0.6
169.10118	0.2
169.54523	0.2
171.08078	0.5
171.11708	0.3
173.09653	0.5
173.13258	0.5
175.07607	0.3
175.11235	0.4
175.14949	0.3
177.05447	0.3
177.16429	0.2
181.12271	0.2
182.02116	0.2
183.02895	2.3
183.08112	0.2
185.09814	4.8
185.13335	0.2
186.10524	0.4
187.07614	0.3
188.08292	0.3
189.09186	0.5
189.11229	0.2
191.10652	0.4
193.12234	1.1
199.02382	0.2
201.09293	0.3
203.10632	0.3
203.14417	0.3
209.11714	1.5
211.07593	0.4
211.13235	1.1
217.12296	0.3
227.10654	0.2
227.12772	0.6
232.07030	0.2
235.13248	0.3
242.05655	0.4
243.06331	0.2
247.13240	0.4
249.14920	0.3
259.06030	0.4
260.06757	0.3
267.15808	0.3
283.15390	0.4
285.07455	0.3
287.05624	0.2
288.06262	13.6
289.06732	0.8
313.10519	0.2
316.05756	35.9
317.06119	2.2
331.08087	100.0
332.08441	5.5
332.42886	0.2
355.22861	0.3
371.15952	0.3
383.22015	0.3
391.20651	0.5
401.23083	0.3
450.27884	4.9
475.26559	0.6
475.33823	0.3
493.13229	7.3
493.19934	1.0
493.28091	2.3
494.13565	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.134
Annotation	Dillenetin 7-glucoside
Peak:m/z	Relative Intensity
55.01868	0.9
55.05508	0.9
57.03429	0.9
61.02932	0.5
65.03938	0.8
65.64899	0.5
67.05502	0.5
67.94389	0.4
69.03441	2.6
71.04990	0.7
71.32864	0.8
73.11302	0.5
74.29012	0.5
79.05503	1.3
81.03417	1.9
81.07061	1.2
85.02898	6.2
85.82957	0.4
86.28928	0.5
91.05488	2.9
93.07037	1.1
94.04195	1.4
95.04958	0.8
95.08607	0.7
97.02872	2.6
99.04485	0.6
100.31919	0.5
103.05466	1.4
105.07018	1.4
107.04943	1.1
107.08574	0.6
109.02870	1.1
109.10180	1.2
111.04424	0.5
119.04963	0.8
121.02854	1.4
121.06496	0.7
122.03614	2.2
123.04412	1.1
127.03888	1.2
127.19447	0.5
129.07042	0.5
131.04951	2.0
133.06485	0.8
133.10034	0.6
135.08028	0.8
137.02327	0.8
137.05974	23.4
137.09627	1.3
138.06349	0.5
139.03873	2.7
145.04985	0.9
146.03581	0.6
147.11681	0.5
149.05951	1.1
149.09657	0.5
151.03880	1.2
151.07550	6.8
152.06163	0.5
153.01808	2.8
154.34258	0.5
157.06526	0.6
159.07973	0.6
159.11670	0.4
161.05919	1.1
162.03171	0.6
163.07506	4.0
165.01840	1.3
165.05498	1.0
165.07021	1.0
165.09122	2.0
166.83890	0.6
167.07066	0.8
167.08478	1.0
175.07532	1.3
177.09198	0.5
179.07205	0.6
183.02797	0.5
187.07518	0.6
189.09140	0.9
194.02127	0.9
195.08099	1.5
196.08614	0.5
206.48178	0.5
210.06775	0.5
225.09010	0.6
227.10715	1.8
241.05002	1.0
243.06503	0.7
245.04375	1.2
253.08720	0.8
255.10323	1.2
267.10205	0.5
269.04453	0.7
270.05145	0.9
271.05981	1.8
273.04031	1.7
285.11197	1.2
287.05527	5.0
287.12616	2.5
288.06287	2.8
297.03763	0.7
298.04730	1.9
299.05423	2.6
301.03436	2.4
302.04083	1.0
313.14407	0.9
315.04941	13.9
316.05756	16.0
317.06268	2.2
329.36307	0.5
331.08109	100.0
332.08508	6.1
351.15765	0.9
404.15027	0.6
415.19257	0.7
419.41461	0.5
470.06848	0.6
493.13187	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.134
Annotation	Betuletol 3-glucoside
Peak:m/z	Relative Intensity
50.62314	0.2
53.03953	0.6
55.01872	0.6
55.05507	1.9
57.03445	0.4
57.07079	0.3
57.81982	0.2
60.08175	0.7
65.03964	0.2
67.05498	2.7
69.03436	0.7
69.05813	0.3
69.07056	1.1
71.04994	0.6
71.32985	0.3
79.05491	3.1
81.03421	2.6
81.07056	3.8
83.04974	1.0
83.08604	1.3
85.02901	1.1
85.06527	0.4
87.04407	0.2
91.05467	2.8
92.24641	0.2
93.07037	3.1
94.04215	0.2
95.04977	1.8
95.08611	1.8
97.02899	0.7
97.06539	0.8
97.10174	0.7
99.01511	0.3
99.04478	0.3
103.05469	0.5
105.07013	2.5
107.04939	1.4
107.08607	2.0
109.02835	0.4
109.06532	1.1
109.10155	1.5
111.04433	0.9
111.08102	0.7
115.05505	0.2
117.06990	0.9
119.04921	0.3
119.08566	1.8
121.06516	0.8
121.10139	1.5
122.03658	0.3
123.04451	0.6
123.08089	0.4
123.11713	0.4
125.01693	0.2
125.06014	0.2
125.09621	0.6
126.02481	2.0
127.03212	1.9
127.07513	0.2
128.06248	0.3
129.06995	0.9
131.08565	0.9
133.06441	0.9
133.10101	1.3
135.04492	0.3
135.08055	0.5
135.11685	0.7
136.05116	0.3
137.05977	2.0
137.09613	0.5
139.03949	0.2
139.07480	0.3
139.11198	0.3
143.08595	0.6
145.04283	1.3
145.06512	0.4
145.08623	0.4
145.10127	0.9
147.04433	0.3
147.08116	0.3
147.11670	1.1
149.06001	0.6
149.09621	1.0
149.13211	0.2
151.03914	0.6
151.07469	1.4
151.11176	0.2
153.01820	0.7
153.05415	0.2
153.12837	0.3
155.08461	0.3
157.06628	0.3
157.10127	0.7
159.08037	0.3
159.11710	0.7
161.06007	0.6
161.09613	0.4
161.13287	0.3
163.03926	0.4
163.07561	0.5
163.11188	0.8
165.09155	0.7
167.07072	0.6
169.10118	0.2
169.54523	0.2
171.08078	0.5
171.11708	0.3
173.09653	0.5
173.13258	0.5
175.07607	0.3
175.11235	0.4
175.14949	0.3
177.05447	0.3
177.16429	0.2
181.12271	0.2
182.02116	0.2
183.02895	2.3
183.08112	0.2
185.09814	4.8
185.13335	0.2
186.10524	0.4
187.07614	0.3
188.08292	0.3
189.09186	0.5
189.11229	0.2
191.10652	0.4
193.12234	1.1
199.02382	0.2
201.09293	0.3
203.10632	0.3
203.14417	0.3
209.11714	1.5
211.07593	0.4
211.13235	1.1
217.12296	0.3
227.10654	0.2
227.12772	0.6
232.07030	0.2
235.13248	0.3
242.05655	0.4
243.06331	0.2
247.13240	0.4
249.14920	0.3
259.06030	0.4
260.06757	0.3
267.15808	0.3
283.15390	0.4
285.07455	0.3
287.05624	0.2
288.06262	13.6
289.06732	0.8
313.10519	0.2
316.05756	35.9
317.06119	2.2
331.08087	100.0
332.08441	5.5
332.42886	0.2
355.22861	0.3
371.15952	0.3
383.22015	0.3
391.20651	0.5
401.23083	0.3
450.27884	4.9
475.26559	0.6
475.33823	0.3
493.13229	7.3
493.19934	1.0
493.28091	2.3
494.13565	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1341
Annotation	Betuletol 3-glucoside
Peak:m/z	Relative Intensity
51.09887	0.2
53.03940	0.6
55.01859	0.6
55.05500	0.4
61.02919	0.8
65.03918	0.4
66.12209	0.2
67.05495	0.8
68.98315	0.3
69.03438	2.0
69.07063	0.6
71.04972	0.5
71.32197	0.5
73.02901	0.3
73.46274	0.3
78.19336	0.3
79.05478	1.1
81.03418	1.2
81.07044	1.1
83.04968	0.4
83.08620	0.3
85.02901	5.4
89.19465	0.3
91.03929	0.4
91.05486	1.4
92.02628	0.5
93.03400	0.9
93.07040	1.2
95.04979	0.6
95.08601	1.0
97.02904	2.2
97.06539	0.5
99.04441	0.7
103.05489	1.6
105.07011	1.2
107.04962	0.7
107.08581	1.4
109.02886	0.9
109.06535	0.6
111.04459	0.8
115.05469	0.4
117.07047	0.5
119.04942	0.4
119.08596	0.7
121.02863	1.2
121.06517	0.5
121.10144	0.8
122.03680	0.3
123.04408	0.9
123.07986	0.5
123.11708	0.4
127.03918	0.8
131.04924	1.0
131.08572	0.4
133.06494	0.5
133.10153	0.5
135.11664	0.5
137.02330	0.3
137.05983	4.0
140.04712	0.8
143.05017	0.5
143.08575	0.7
145.04965	1.0
145.06523	0.5
145.10124	0.4
147.04445	0.4
148.05252	0.3
149.05972	0.9
151.03902	1.6
151.07547	1.8
152.04178	0.3
153.01823	0.5
153.05428	0.5
157.06488	0.4
157.10168	0.3
161.05974	1.7
163.03838	0.4
163.07491	1.4
163.11218	0.4
164.08316	0.4
165.05389	0.4
165.09050	1.3
167.03401	7.9
167.07095	0.5
168.03761	0.3
169.08662	0.5
171.08015	0.6
173.06061	0.3
175.07562	0.6
177.05472	0.6
179.03395	0.7
185.09560	0.4
187.07524	1.0
189.05382	0.4
189.09203	1.3
191.06993	0.3
191.10542	0.5
197.05946	0.4
197.15150	0.3
201.09140	0.8
203.06982	0.4
203.10529	0.5
213.09195	0.7
215.06972	0.6
217.04926	0.9
225.05655	0.4
231.06448	1.4
232.07181	0.4
242.05733	1.1
243.06494	1.6
245.04398	2.1
249.07553	1.0
259.06030	1.0
260.06787	1.0
270.05252	0.5
271.05896	1.5
273.03925	2.8
274.04489	0.4
278.40936	0.3
280.37619	0.3
287.05460	2.9
287.10513	0.3
288.06232	2.5
291.10394	0.3
298.04813	0.4
299.05521	2.0
301.03418	7.4
302.03967	1.1
304.10474	0.3
313.14233	1.9
315.05008	5.3
316.05774	19.3
317.06271	1.3
319.13223	0.6
325.14435	1.6
331.08105	100.0
332.08417	7.4
335.12857	0.4
337.14343	2.0
341.13754	0.7
355.15280	0.8
379.15350	1.0
421.16415	0.4
439.17465	0.7
457.18765	0.4
493.19321	0.8
507.63623	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1338
Annotation	Betuletol 3-glucoside
Peak:m/z	Relative Intensity
50.54407	0.2
53.03954	0.5
55.01889	0.5
55.05519	0.4
55.80443	0.2
57.03433	1.0
57.98789	0.2
59.04984	0.2
61.02946	0.8
65.03956	0.4
67.05511	0.5
69.03429	3.5
69.03793	0.2
69.07086	0.2
70.18864	0.5
71.01378	0.2
71.05014	0.3
71.82011	0.2
73.02921	0.5
79.05515	0.5
81.03404	1.4
81.07075	0.5
83.04983	0.2
85.02901	8.7
85.82626	0.2
87.04513	0.4
91.03997	0.3
91.05496	0.6
92.02634	0.4
93.03423	0.4
93.07034	1.2
95.04970	0.4
95.08636	0.6
97.02879	2.4
97.10187	0.3
99.04470	0.5
103.05498	0.2
105.07048	0.6
107.04983	0.5
107.08591	1.6
109.02866	0.9
109.10188	0.5
111.04460	0.2
119.08586	0.4
121.02857	0.9
121.10144	0.5
123.04469	0.4
125.02395	0.3
127.03906	1.6
129.07010	0.3
131.04965	0.3
131.08583	0.3
133.06509	0.2
133.10181	0.3
135.11676	1.5
137.02365	0.2
137.05937	1.0
137.09673	0.2
139.03906	0.3
140.04678	0.4
145.04971	1.2
147.08144	0.2
147.11736	0.3
149.09673	0.3
151.03902	2.3
151.04938	0.2
151.07535	0.3
153.01843	1.5
153.12712	0.8
159.52623	0.2
161.05998	0.4
163.03911	0.3
163.07584	0.4
165.09090	0.3
167.03400	4.0
167.07080	0.4
170.02687	0.2
177.09149	0.3
179.03415	0.2
183.02855	1.1
187.07594	0.2
189.09186	0.5
191.14349	0.3
193.05055	0.2
207.10172	0.2
209.15312	0.3
213.05634	0.2
215.06888	0.4
217.04968	0.4
231.06544	0.5
232.07306	0.5
233.04468	0.3
242.05795	0.7
243.06461	1.0
245.04472	0.6
259.06009	1.1
260.06796	1.0
271.06039	1.0
273.03992	0.2
284.02689	0.2
285.07611	0.2
287.05469	0.9
288.06268	7.9
289.06683	0.5
291.10092	0.2
298.04590	0.4
299.05542	1.2
301.03409	0.8
301.06866	0.4
313.07010	0.3
314.08002	0.3
315.05121	1.2
316.05762	23.8
317.06079	1.3
323.12695	0.4
329.06592	0.6
331.08090	100.0
332.08463	6.3
332.11606	0.2
353.94528	0.2
355.08243	0.2
373.09268	0.4
408.07294	0.2
485.21045	0.2
493.12967	0.3
493.24475	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65973	0.2
55.05522	0.4
65.03939	0.4
66.91758	0.3
67.05510	0.7
71.34100	0.5
72.02882	0.2
81.03416	0.3
81.07045	0.6
85.02932	0.4
88.83606	0.2
91.05485	0.9
93.07049	0.5
94.04150	0.4
95.04998	0.4
95.08586	0.4
103.05470	0.8
105.07044	0.4
107.04919	0.4
107.08607	0.5
109.02798	0.3
109.06536	0.4
109.10158	0.6
111.04471	0.5
119.04923	0.5
119.08614	0.5
121.02879	0.5
121.06514	0.4
121.10094	0.3
122.03614	0.5
131.04918	0.9
133.14299	0.3
137.05981	6.7
137.09634	0.7
145.06479	0.5
147.04420	0.7
151.03896	0.9
151.07555	1.8
161.05954	0.5
161.09633	0.3
163.07516	1.4
165.09100	4.1
166.09396	0.7
167.07086	0.6
169.04707	0.5
175.07545	0.5
181.04938	0.3
185.04222	1.6
186.06563	0.7
189.09148	0.3
195.08054	0.5
227.05267	1.0
251.10425	0.3
265.08636	0.4
287.12808	0.7
329.08487	1.7
341.10278	0.3
349.12549	2.4
361.09058	0.3
391.13644	0.8
431.16751	7.3
432.17340	0.5
433.14798	3.9
475.15750	0.6
475.25217	0.4
493.16760	100.0
494.17148	7.4
494.23276	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09183	1.2
52.14944	1.1
53.03944	2.5
54.20026	1.1
55.01859	2.1
55.05508	1.8
59.30247	1.2
65.03932	4.9
66.04717	1.1
67.05505	4.2
69.03435	1.4
69.62598	2.2
69.62988	3.2
71.04997	1.8
72.87531	1.2
79.05479	9.8
81.03419	3.5
81.07052	8.1
83.04973	1.3
83.08639	1.5
85.48429	1.2
91.05478	36.1
93.07044	3.1
94.04204	2.8
95.04963	9.2
95.08616	3.7
103.05469	48.4
104.05767	1.8
105.04537	1.4
105.07026	32.6
107.04925	6.5
107.08610	3.6
109.06511	5.6
111.04446	1.3
112.91029	1.2
113.86163	1.2
115.05426	7.3
117.07045	7.2
119.04942	25.8
119.05739	2.2
119.08592	4.6
121.06522	1.5
121.10143	3.2
122.03623	8.3
123.04449	2.0
124.05207	2.2
128.06242	3.9
129.06993	4.6
131.04921	30.0
131.08536	3.4
133.06493	23.4
133.10120	2.9
135.08070	3.8
136.05226	2.8
137.05974	100.0
138.06290	4.0
141.06995	2.3
142.07683	1.5
143.04913	3.9
143.08571	4.7
144.05630	1.5
145.06465	6.6
145.10182	1.8
147.04396	2.7
147.11667	1.8
148.05196	4.5
149.05960	7.5
149.09590	1.5
151.00117	1.3
151.03897	5.3
151.07542	90.3
152.07906	3.2
153.05502	1.8
153.06950	2.6
155.08583	3.1
157.10103	1.5
159.08073	4.7
161.06006	10.4
163.07547	44.5
163.11203	2.1
164.08293	4.7
165.06975	2.1
165.09117	73.0
166.07889	1.5
166.09390	1.7
171.08087	5.1
173.09579	2.4
175.07547	11.6
177.09117	4.3
181.06468	1.4
181.10110	2.4
183.08046	3.4
183.11725	1.3
185.09673	1.8
186.06833	1.9
187.07542	6.2
189.09079	7.8
191.08513	1.5
191.10794	1.5
193.12167	1.7
195.08054	1.9
198.06790	1.7
199.07573	9.1
199.11243	3.0
201.09134	12.7
202.07780	1.9
203.10686	7.4
205.06624	1.7
209.09586	4.8
212.08362	2.7
215.08739	1.3
215.10707	2.2
219.08089	2.6
223.07413	3.7
225.09064	2.3
227.10652	16.4
233.09674	2.1
234.57100	1.2
235.07579	3.0
236.08278	1.5
240.07678	1.6
243.08049	1.5
244.08926	1.4
244.14134	1.7
245.11754	6.5
247.07430	1.8
249.09102	2.2
251.07149	3.1
251.10632	1.7
253.08572	2.4
261.09122	3.3
262.10007	2.4
263.10641	1.6
264.07828	1.5
264.11359	1.6
265.08658	2.0
265.12137	2.2
265.73605	1.4
267.10120	2.9
269.07990	2.0
270.08926	2.1
275.10742	3.4
277.08755	2.0
279.10114	5.7
283.09537	5.0
283.12759	1.9
285.11307	4.2
290.09363	1.4
292.10803	1.7
293.08386	1.5
293.11618	3.0
295.09561	1.9
295.13193	1.9
296.10492	1.9
297.11191	2.4
300.12982	1.5
304.10754	1.5
305.11737	2.8
305.15076	1.5
307.09753	2.9
309.11115	2.8
310.11887	2.6
311.12833	9.8
313.14307	4.7
318.12491	2.7
319.13266	1.6
322.11951	3.8
323.12704	7.5
325.14392	11.8
329.13684	2.8
333.14731	5.3
351.15930	30.7
369.16995	9.3
445.07504	1.3
446.17267	4.2
447.18155	6.6
449.19684	3.6
475.21127	7.8
493.22012	9.6
493.28204	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	493.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
54.25242	0.3
55.01858	0.5
56.05671	0.3
65.03937	1.0
66.04712	0.6
67.05475	0.4
68.99766	0.4
69.17126	2.6
69.17527	0.7
77.03938	0.3
79.05479	2.4
81.07039	1.0
83.04964	0.4
85.02881	0.4
91.05474	8.3
93.07053	0.5
94.04179	5.3
95.04970	1.9
103.05456	5.8
103.06092	0.5
105.07027	2.4
107.04936	1.8
108.05766	0.3
109.06490	1.3
111.04444	0.5
115.05461	1.5
117.07020	1.1
119.04926	3.7
121.06506	1.9
122.03638	10.4
123.04424	0.9
123.08077	0.5
128.06215	1.0
129.07007	1.8
131.03923	0.5
131.04915	8.0
131.05867	0.5
131.08559	0.5
133.06465	2.6
135.04431	0.9
135.08055	2.4
136.05202	1.0
137.05965	100.0
138.06277	2.7
141.06975	0.7
143.04884	0.7
143.08530	0.6
144.89886	0.3
145.06467	1.6
147.04395	0.5
147.08051	0.5
149.05974	4.5
151.03914	1.4
151.07532	23.7
152.06195	1.3
152.07820	0.6
153.01843	0.4
153.06924	0.5
154.07758	0.3
157.06496	1.3
159.04323	0.4
159.08073	0.5
160.05200	0.5
161.05991	4.0
163.07530	16.2
164.07982	0.5
165.07008	2.9
165.09065	1.6
166.07762	1.1
167.07109	0.8
167.08557	3.9
169.06490	1.1
171.08022	0.7
173.06071	0.4
174.06740	1.3
175.07539	3.6
177.06972	0.8
177.09088	1.4
178.07799	0.8
179.08475	0.4
181.06435	0.8
182.07240	0.8
183.08105	0.4
184.08797	0.4
187.07486	1.8
189.09076	5.7
190.07677	0.4
191.08568	0.9
193.06546	1.6
194.07278	0.7
195.08040	6.8
196.08836	0.4
197.05971	0.9
197.09650	0.4
199.07555	0.5
201.09064	1.2
202.07724	0.3
203.08684	0.4
203.10632	0.7
207.08061	0.4
207.10121	0.4
208.08603	0.3
209.06087	0.4
209.09631	1.3
210.06653	1.8
211.07471	0.7
212.08333	1.0
213.09103	0.8
218.07080	0.5
219.08041	1.2
220.08472	0.3
221.06000	2.5
221.09505	0.6
223.07526	2.2
223.13319	0.4
224.08307	1.7
225.09074	2.5
227.07150	0.6
227.10623	7.0
228.11087	0.6
231.08002	0.5
233.09502	0.4
235.07510	0.6
237.05443	0.4
237.09105	0.9
238.06210	1.1
239.06900	0.5
239.10648	0.5
240.07750	0.4
241.12259	0.3
249.09067	1.2
251.10713	1.5
252.07851	0.6
253.08553	3.7
253.12335	0.4
255.06332	0.4
255.06970	0.3
255.10130	7.5
262.09811	0.3
264.07626	0.3
265.08676	0.4
267.10202	2.4
269.11588	0.7
273.03989	0.5
277.08682	0.4
277.12125	0.5
278.09329	0.6
279.10110	0.7
281.11636	0.5
285.11160	5.5
286.11734	0.4
287.12750	15.5
288.03046	0.3
288.06308	1.0
288.13168	0.7
291.09933	0.7
293.11728	0.6
299.12708	0.5
301.03488	0.7
305.11749	1.2
307.09720	0.4
307.13193	0.8
313.14423	3.1
315.05133	0.5
316.05728	6.1
317.06085	0.5
319.13257	1.1
325.14194	1.5
331.08081	17.4
332.08466	0.9
337.14084	1.5
351.15808	3.2
352.16080	0.5
415.18878	2.9
416.18997	0.3
443.18259	2.1
444.18515	0.3
475.21072	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2222
Annotation	Mortonol A
Peak:m/z	Relative Intensity
52.17412	0.6
53.03930	1.7
55.01872	2.5
55.05510	1.3
65.03936	5.5
67.05505	3.1
69.07059	2.3
70.87273	1.4
77.03909	0.7
79.05496	5.4
79.91431	0.7
81.07058	2.7
83.04958	0.8
83.08633	0.8
86.06050	0.6
87.63327	0.5
91.05476	9.8
93.03399	5.8
93.07044	3.1
94.04185	3.1
95.04982	3.7
95.08609	2.3
97.06532	0.6
97.10087	0.8
103.05458	14.7
103.06102	1.1
105.07032	18.3
107.04955	6.1
107.08598	2.3
108.02071	0.8
109.02883	1.2
109.06521	1.9
109.10172	1.0
110.03673	0.6
111.04445	5.9
111.08137	0.7
115.05460	4.2
117.07024	3.7
119.04937	5.8
119.08576	2.3
121.06487	5.9
121.10131	1.4
122.03649	8.3
123.04440	3.9
123.08131	0.7
125.05985	6.0
125.58334	0.8
128.06242	4.5
129.06990	1.4
131.04919	9.9
131.08568	2.2
133.06493	12.7
133.10118	1.7
135.04358	0.9
135.08046	1.7
135.11620	0.7
136.05194	1.0
137.05977	100.0
137.81898	0.6
138.06322	2.4
141.05417	0.9
141.07042	1.1
143.04933	0.8
143.08557	10.6
144.05688	0.7
145.06502	7.9
145.10162	1.4
147.04398	3.0
147.08040	2.0
148.05190	3.6
149.02348	0.8
149.05980	11.7
149.09663	1.0
151.03911	47.7
151.04987	3.2
151.07538	22.2
153.05464	10.5
155.05978	0.7
155.08611	0.6
157.06493	1.6
157.10164	0.8
157.72343	0.6
159.08072	4.1
160.05196	0.7
161.04706	1.2
161.05981	16.4
161.09641	1.4
162.06750	4.3
162.80167	0.8
163.07544	16.4
164.08336	6.9
165.05473	1.6
165.06973	1.0
165.09117	19.2
166.09422	0.9
171.08063	9.8
171.11722	1.0
172.08777	1.3
173.05989	1.6
173.12936	1.0
174.06668	1.3
175.03951	2.5
175.07555	7.7
177.05521	2.8
177.09084	8.0
179.06967	1.6
179.08505	1.1
181.08638	1.6
182.07224	0.8
187.07568	2.7
188.08302	8.9
189.09108	8.3
191.07001	1.1
191.10669	2.6
193.12190	0.9
195.08080	1.5
196.08763	0.7
197.09555	0.7
199.11147	0.9
201.09216	1.4
203.10669	26.5
204.11061	1.3
205.08620	3.4
206.07281	0.7
207.08119	1.2
209.09697	1.2
211.07503	1.4
212.08321	1.2
213.09067	0.7
215.10573	0.8
217.12225	1.1
221.11725	54.2
222.12100	2.2
223.07553	0.7
224.08275	1.0
225.09149	1.5
227.10605	5.3
233.09612	1.2
235.07530	1.7
235.11166	0.8
239.10678	1.6
245.11687	5.9
249.09149	0.7
252.07823	1.1
253.08578	1.5
255.06589	1.3
261.09045	1.1
265.08591	0.7
267.10126	3.1
273.12677	0.7
275.10440	0.7
278.09207	0.7
279.10117	1.4
281.11783	1.4
283.09790	1.6
285.11179	11.8
291.10156	0.8
292.07373	0.6
293.11743	1.7
295.09756	0.6
299.09152	4.9
299.12823	5.9
301.10507	7.1
305.15506	0.7
307.09747	0.7
311.12677	5.4
313.14359	10.4
314.14368	0.8
318.12460	1.9
329.13849	1.4
333.14679	3.7
339.15897	1.0
341.17313	1.2
351.12442	0.7
351.16019	6.4
362.89545	0.7
369.16971	13.5
370.17358	1.2
377.63736	0.6
440.32483	0.7
453.55521	0.6
475.21082	4.4
475.27057	0.7
493.20963	2.9
493.28772	5.6
505.27811	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.7
55.01876	3.1
55.05508	4.4
65.03930	5.1
67.05508	12.1
69.03400	1.3
69.07073	2.0
71.05000	1.6
72.13823	1.6
72.81588	1.4
79.05495	14.5
81.03423	4.4
81.07056	11.4
83.04959	2.6
83.08613	2.2
91.05479	41.5
93.07034	8.7
94.04179	5.4
95.04975	7.5
95.08612	6.0
97.06544	1.6
97.46523	1.3
103.05466	30.3
103.06114	2.1
105.07027	27.8
107.04962	7.5
107.08587	8.1
109.06506	8.3
111.04468	1.9
115.05434	11.3
116.06210	2.7
117.07008	8.2
119.04951	14.5
119.08588	5.8
121.06515	6.2
121.10139	2.9
122.03646	6.8
123.04431	8.2
123.08081	3.5
124.05185	1.5
128.06230	12.9
129.07007	6.1
131.04929	21.0
131.08566	11.2
133.06480	19.4
133.10126	5.3
135.04424	3.2
135.08049	4.6
137.05971	90.8
138.06337	3.8
138.39305	1.4
141.06950	3.3
143.04948	3.2
143.08549	14.5
144.05711	2.5
145.06502	8.1
145.10149	3.2
146.07228	1.9
147.04411	5.7
147.08057	6.5
147.11699	1.8
148.05231	11.5
149.05978	28.9
149.09602	2.8
151.03914	26.8
151.04970	2.7
151.07536	71.2
152.07875	2.6
153.05443	2.7
153.07018	2.3
155.08588	1.5
157.06502	2.3
158.07230	2.1
159.08006	9.1
160.05209	2.0
161.05969	100.0
161.09616	16.6
161.13161	2.2
162.06410	4.4
163.07536	28.5
163.11089	1.4
164.08246	2.5
165.07007	2.6
165.09109	33.4
167.08546	1.5
169.06473	2.6
171.08000	9.1
171.11783	1.9
173.06021	1.4
173.09572	1.9
174.06731	2.7
175.07524	11.2
175.11073	1.7
177.05507	6.5
177.09126	14.3
178.09448	1.6
179.08543	2.2
181.06532	2.0
181.08611	5.2
183.08034	1.8
187.07501	4.5
189.09093	56.0
190.09399	1.8
191.08578	1.7
191.10704	3.4
193.12247	1.5
195.08318	2.3
195.10153	31.0
199.07631	2.9
201.09158	7.6
202.09839	2.6
203.08923	1.8
203.10654	8.8
205.10216	1.5
207.08267	2.6
207.10146	50.9
209.09552	1.9
211.07515	2.2
219.08119	2.9
219.10130	2.0
221.11729	6.7
223.07521	2.6
225.09164	3.1
227.10721	6.9
233.09610	3.1
235.07561	4.2
237.09047	2.3
239.10666	3.1
245.11768	2.9
247.11171	2.2
248.08398	1.6
249.09042	2.6
250.09856	1.9
251.07007	2.5
251.10526	2.4
252.07761	1.8
253.08586	3.0
261.09055	5.7
263.06918	1.7
264.07629	2.0
265.08618	2.4
265.12164	3.5
267.10217	3.2
269.08047	5.1
273.87082	1.5
277.08484	2.5
278.09204	2.1
279.10071	4.2
280.10910	1.9
283.09573	4.1
285.11255	3.8
286.12054	2.0
287.12909	3.1
290.09103	1.7
291.10202	1.8
293.08627	1.8
293.11597	7.2
295.09653	3.3
295.12961	1.9
297.11142	4.9
299.12442	2.3
301.10651	6.5
303.12274	4.3
305.11624	3.4
307.09781	2.0
307.13190	2.2
310.12061	3.3
311.12811	7.5
313.14331	5.3
319.13187	2.9
322.11932	2.6
323.12766	3.4
325.14291	25.8
326.15082	18.3
327.15701	2.7
333.14728	2.2
337.14328	2.1
351.15973	14.5
369.16980	12.7
430.30197	2.0
447.18039	4.4
475.20963	5.0
493.21750	18.2
493.28210	9.9
494.22571	2.5
495.53720	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25027	0.4
53.03936	0.7
55.05479	0.4
57.07064	0.4
59.04975	0.5
63.45790	0.4
65.03923	0.6
67.05482	1.1
69.03426	0.7
69.07038	0.9
69.43938	2.6
71.04977	1.0
78.21376	0.4
79.05484	0.9
80.91774	0.4
81.03411	1.1
81.07030	1.6
83.04964	0.6
87.04446	0.4
91.05470	1.1
93.07022	1.1
95.04938	1.0
95.08600	2.7
97.06516	1.8
99.04436	0.9
100.95552	0.4
103.05435	0.4
105.07020	1.8
107.08576	1.3
109.06492	1.5
109.10095	0.6
113.09625	1.4
113.62260	0.3
114.51223	0.4
119.08584	0.6
121.02866	4.1
121.06426	0.5
121.10155	2.3
123.04421	0.8
123.08076	3.0
123.11673	0.4
127.03920	0.7
133.06473	4.9
133.10127	0.5
135.04404	3.3
135.08076	0.8
137.09592	0.8
139.11176	4.2
141.09094	1.3
149.02332	2.9
149.09570	0.7
150.10349	1.2
151.03941	0.5
151.06346	0.8
151.07527	10.7
151.11186	0.4
159.10184	1.3
159.11745	0.5
167.10670	1.4
173.13298	0.6
177.09059	0.4
179.03392	7.6
179.06947	0.7
185.07925	0.4
187.05983	1.8
191.14273	1.1
197.04414	1.7
207.06508	5.7
209.15373	1.6
216.91795	0.4
219.13727	0.4
220.89517	0.4
225.07559	39.4
226.07924	1.3
237.14864	12.4
238.06311	0.8
243.08592	0.4
247.13280	1.1
253.08638	0.4
257.10193	15.1
258.10553	0.4
265.10928	0.4
265.14331	0.7
266.05685	2.0
268.07266	1.6
275.12732	1.2
281.08066	17.0
282.08405	1.1
284.06897	0.5
296.06781	2.3
299.09137	3.1
307.15460	0.9
311.09116	100.0
312.09424	6.3
339.28723	0.6
341.00388	0.4
377.13620	0.5
401.13992	0.6
419.18710	0.5
433.22388	2.4
441.48575	0.4
447.21756	1.1
457.19916	1.4
475.21112	7.5
476.21408	0.5
493.22220	17.4
494.22443	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	0.4
55.01853	1.3
55.05491	1.0
57.03425	1.3
57.07065	0.6
59.04978	1.6
63.39038	0.3
67.05500	2.9
69.03418	1.5
69.07061	2.6
71.04984	1.8
79.05485	3.1
81.03397	0.7
81.07050	4.9
83.04958	1.5
83.08610	0.6
85.02848	0.3
85.06557	0.4
87.04446	0.7
91.05466	2.5
93.07037	3.5
95.04949	1.4
95.08031	0.6
95.08602	8.1
97.06519	6.4
97.10157	0.4
98.98452	0.6
99.04447	2.7
105.06364	0.4
105.07023	6.2
107.04957	0.6
107.08597	2.5
109.02872	0.6
109.06510	4.9
109.10134	1.3
111.04456	0.5
111.08048	1.2
111.11708	0.5
113.05988	0.6
113.09637	3.3
117.07003	0.3
119.08548	1.3
121.02838	1.4
121.06499	0.7
121.09271	0.4
121.10136	6.8
123.04391	1.2
123.08055	8.9
123.11677	1.2
125.05968	0.7
125.09620	0.7
125.50448	0.3
127.03922	0.9
131.08575	1.0
133.06471	6.5
133.07442	0.4
133.10083	1.1
135.04428	1.7
135.08044	1.3
135.11685	0.7
137.09561	1.6
139.07571	0.5
139.11166	8.4
141.09079	2.8
145.10085	0.6
149.02260	0.7
149.09613	3.8
149.13249	1.5
150.10414	2.4
151.07527	26.2
151.11092	0.9
152.07915	0.5
155.01057	0.4
155.06964	0.4
159.07993	0.7
159.10152	3.2
161.09615	0.9
163.07500	0.4
163.14766	0.6
167.03407	0.3
167.10672	3.7
169.08626	0.8
173.13202	1.2
177.09074	1.7
177.12810	0.4
179.03395	2.4
179.07005	2.2
181.08623	0.4
184.83759	0.3
185.08064	0.6
185.11758	0.5
187.06012	3.3
191.14285	1.9
195.10107	0.6
195.13828	0.5
197.04269	0.5
197.08133	0.6
201.12660	0.7
203.14261	0.4
205.08522	0.4
207.06506	13.1
207.13867	0.4
208.06876	0.5
209.15334	3.6
219.13766	0.9
225.07552	100.0
226.07904	2.8
235.13316	0.8
237.14830	29.6
238.15189	1.3
239.09074	0.8
247.13312	1.8
249.14798	0.4
257.10172	37.7
258.10480	1.3
265.10703	1.1
265.14307	1.1
268.07242	0.4
275.12708	3.1
281.08014	3.8
293.13745	0.4
296.06821	0.5
299.09055	0.6
307.15405	2.5
307.88968	0.4
311.09085	18.0
312.09460	1.0
325.16409	0.8
339.28848	1.1
363.17914	1.0
376.92700	0.4
389.91144	0.4
415.20874	0.6
433.22217	6.4
475.20926	1.3
493.22833	5.3
493.32108	0.5
494.23386	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75061	2.0
53.00326	1.8
55.01858	4.8
55.05509	8.6
57.07079	20.6
59.04980	4.9
65.03934	2.5
67.05509	16.4
68.99781	4.6
69.03423	8.5
69.07058	9.2
69.16424	5.2
69.16831	16.0
70.32986	1.9
71.04998	6.9
77.03862	2.0
79.05498	16.4
81.07066	16.7
83.04994	4.0
83.08611	3.0
85.06541	7.4
87.04454	5.5
91.05489	15.4
93.07052	19.3
95.04961	9.1
95.08617	13.9
97.06525	18.8
99.04478	2.6
103.05472	15.2
105.07024	17.7
107.04944	12.1
107.08582	17.9
109.02864	3.0
109.06529	13.8
109.10152	7.3
111.04418	4.2
111.08070	10.7
113.06035	4.9
113.09637	2.4
117.06998	3.1
119.04944	3.2
119.08579	12.6
121.06497	9.3
121.10149	24.8
122.03622	5.7
123.04433	13.6
123.08058	10.8
123.11700	5.6
125.05994	6.3
125.09600	6.5
131.04947	10.6
131.08548	5.4
133.06500	14.1
133.07373	2.1
133.10107	5.9
135.04396	4.1
135.08118	10.1
135.11693	9.6
137.05978	100.0
137.09575	12.6
139.03906	3.6
139.07545	3.3
139.11176	15.8
141.05434	8.0
143.08527	2.5
145.06435	4.8
145.10095	6.2
147.04529	2.3
147.08032	4.6
147.11745	3.3
148.05228	2.8
149.06046	5.1
149.09621	13.5
149.13229	2.9
150.10271	2.3
151.07521	12.2
151.11180	4.1
153.05482	9.4
153.09157	4.9
153.12727	6.5
155.07051	3.2
155.08578	2.7
159.08049	3.4
161.05971	3.5
161.09621	3.8
163.07544	22.3
163.11177	5.8
164.11931	2.7
165.05492	21.8
165.09151	10.4
167.03401	71.7
167.07047	5.4
167.10693	17.2
175.07527	12.4
175.11153	15.1
177.05473	15.1
177.09117	15.4
177.12585	2.2
179.06978	11.5
179.10635	3.2
181.08607	6.1
181.12231	6.7
183.06554	26.9
183.10201	16.1
184.07248	4.9
187.11136	2.6
187.14827	3.1
189.09061	2.9
191.07051	9.6
191.10672	4.6
191.14203	2.4
193.04973	5.0
195.06543	13.4
195.10147	14.6
195.13788	2.5
197.08093	9.0
201.12831	2.7
205.08661	2.4
205.12247	11.2
207.06514	27.9
207.13774	9.1
208.07242	3.2
209.07976	10.2
209.15427	3.3
210.08783	6.3
217.08659	2.7
217.11980	2.6
219.06500	5.9
221.08067	10.1
223.09547	3.9
223.13229	3.0
223.16705	2.7
225.07561	23.8
226.08298	6.1
229.12325	5.0
231.10117	2.3
231.13885	2.9
233.08054	3.5
233.11703	7.9
235.09702	7.7
237.07626	4.6
237.14806	20.3
239.09142	9.6
240.09869	3.2
243.08452	17.4
245.15323	6.3
247.13393	5.6
249.14841	6.8
251.12843	15.2
251.16432	48.1
252.16808	4.3
257.11938	2.5
269.11777	11.9
275.12762	29.1
276.13141	2.7
278.15042	2.7
283.13428	3.5
289.10889	2.7
289.14288	5.2
293.13855	12.2
297.11261	23.1
311.12698	8.4
313.14084	2.7
315.12146	9.7
317.13770	9.0
317.17322	4.1
319.19101	4.1
329.13644	4.3
335.14868	8.2
343.19073	3.2
359.18549	3.0
361.19952	4.0
367.15329	8.5
369.20618	5.5
383.14896	3.2
385.16431	40.2
387.17746	2.3
399.18100	14.0
401.16031	3.5
403.17429	8.2
405.19016	2.8
415.21207	3.3
431.24213	9.0
433.22232	73.0
434.22531	5.6
439.21017	2.5
457.22067	5.4
459.23828	8.2
460.25064	2.8
475.23050	2.8
493.23285	14.5
493.32162	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	493.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	1.3
53.03939	8.8
55.01871	20.4
55.05511	43.0
57.03439	13.6
57.07073	3.4
59.05008	2.7
61.47318	1.2
65.03951	6.3
66.56316	1.0
67.05504	70.8
69.03439	11.6
69.07066	16.3
69.19418	11.0
71.05000	7.7
73.02917	3.5
77.03945	2.2
79.05494	67.4
81.03417	93.2
81.07054	62.7
82.03746	1.5
82.04211	2.2
82.07394	1.6
83.04983	31.5
83.08620	39.9
83.09094	2.7
85.02895	21.2
85.06545	3.7
85.69682	1.3
91.05479	58.4
93.03402	2.2
93.07043	62.8
94.04185	2.3
95.04968	46.3
95.08606	48.5
97.02891	10.2
97.06532	12.4
97.10164	14.0
97.94979	1.3
98.07304	2.9
98.22559	2.2
99.04477	3.4
99.08089	3.3
102.15176	1.2
103.05473	8.7
105.04556	2.0
105.07027	40.5
107.04950	27.7
107.08592	39.6
107.59517	1.4
109.02892	2.3
109.06519	10.4
109.10162	21.8
111.04446	16.4
111.08090	19.6
113.06087	2.6
115.05475	4.4
117.05532	3.9
117.07024	17.1
119.04967	4.1
119.08585	34.3
121.02885	5.6
121.06495	11.3
121.10141	26.7
123.04471	4.7
123.08070	8.6
123.11708	3.5
125.06005	4.0
125.09640	13.5
127.11140	1.8
128.06268	4.0
129.05542	2.2
129.07013	16.2
130.07817	2.2
131.04967	4.8
131.08591	20.4
133.06465	9.3
133.10146	15.9
135.04449	3.9
135.08046	7.9
135.11687	38.9
136.12029	1.6
137.05991	13.8
137.09653	5.9
139.03954	2.1
139.07555	2.7
141.07050	2.0
142.07799	2.8
143.08525	6.4
144.43661	1.5
145.06474	6.1
145.10118	29.5
145.11206	1.7
146.10519	1.8
147.04451	4.6
147.08017	7.4
147.11693	16.3
149.06001	3.5
149.09592	9.8
149.13301	1.3
151.03905	10.1
151.07594	8.6
151.11169	1.9
153.01845	1.6
153.05559	2.3
153.09161	3.6
153.12778	6.5
155.08623	3.4
157.06596	2.4
157.10120	18.1
159.08115	2.7
159.11679	3.7
161.06006	6.7
161.09666	3.1
161.13361	1.6
163.07556	3.7
163.11183	46.0
165.07065	1.4
165.09126	3.0
165.12828	3.6
167.08636	1.7
169.10207	1.4
171.06598	2.5
171.08113	2.8
171.10249	1.9
171.11694	3.1
173.05992	1.6
173.09679	4.6
173.11835	2.7
173.13202	2.2
175.07584	2.4
175.11192	14.8
175.12425	1.4
175.14803	2.6
177.09192	1.6
181.10056	2.1
181.12239	15.4
183.08153	2.4
183.11697	2.4
185.09671	2.2
185.13278	2.3
187.07555	2.6
187.11313	1.4
189.05473	1.5
189.09183	5.5
189.11237	8.4
191.10663	8.4
193.12239	57.8
194.12645	2.4
201.09229	1.4
201.12943	2.6
201.14943	6.9
203.10724	2.1
205.12279	2.0
209.11691	10.9
211.07629	2.9
211.11295	2.2
211.13268	44.4
212.13577	1.6
213.12779	1.8
219.13840	2.7
227.12759	76.9
228.13187	2.0
229.14417	2.6
231.13887	2.6
243.10229	2.4
245.11806	2.1
247.13293	12.8
249.14774	6.6
255.16086	1.9
256.63193	1.2
259.13425	3.8
265.14340	2.1
267.15909	13.3
283.15347	8.8
286.08371	14.2
287.08694	14.6
288.08923	17.8
297.11060	1.5
313.14456	2.3
313.17957	2.3
314.07816	22.2
314.11014	2.0
314.14795	3.3
315.08139	28.6
316.08414	52.8
321.16922	7.1
323.12949	1.6
329.10187	39.8
329.14020	2.2
330.10526	47.7
331.10764	100.0
332.11166	5.7
349.20016	2.3
351.16064	1.8
355.22858	2.8
365.21155	3.1
369.17157	2.6
383.22296	6.4
401.23193	5.9
457.25961	1.2
475.26950	22.6
475.33743	2.8
493.05499	1.8
493.16232	74.6
493.27945	74.9
494.16464	3.9
494.28772	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	493.2795
Annotation	Mucronine B
Peak:m/z	Relative Intensity
51.02377	1.0
51.32401	0.7
53.03934	6.1
55.01871	18.2
55.05509	43.8
56.05835	0.7
57.03436	18.2
57.07067	2.7
57.69741	0.7
59.04994	4.6
64.98823	0.6
65.03946	4.6
67.05502	49.9
68.05827	1.2
69.03432	6.6
69.07064	14.7
71.01345	2.3
71.04630	1.1
71.04989	12.1
73.02912	0.9
73.06561	0.9
74.53555	0.7
77.03915	1.9
77.26122	0.6
79.05489	64.3
80.05824	1.3
81.03413	93.8
81.07050	58.3
82.03747	1.8
82.07391	1.1
83.01337	12.7
83.04469	1.2
83.04977	34.0
83.08617	40.2
85.02900	41.7
85.06535	2.8
86.03225	0.7
88.63175	0.7
91.05476	62.3
92.05819	1.4
93.07040	52.9
94.04237	0.7
95.04964	43.8
95.08598	21.9
97.02888	9.0
97.06528	12.3
97.10159	7.7
99.04463	4.1
99.08092	1.7
103.05476	3.2
105.04516	2.7
105.07025	41.2
106.07324	0.9
107.04947	19.2
107.08586	29.8
108.08900	0.9
109.02851	0.7
109.06513	15.0
109.10149	8.2
111.04446	5.7
111.08067	17.2
111.11691	1.1
113.06017	3.4
113.71784	0.6
115.05434	3.7
117.07018	14.4
118.07249	0.7
119.04926	2.2
119.08576	35.5
120.08935	0.8
121.06514	7.4
121.09269	1.1
121.10140	21.5
122.10531	0.9
123.04442	2.3
123.08061	13.7
123.11670	1.1
125.05987	2.2
125.09644	5.5
128.06244	1.9
129.06989	16.7
130.07771	3.0
131.04930	1.9
131.08559	17.5
132.08838	0.8
133.06488	3.8
133.10133	15.0
135.04408	1.0
135.08047	5.2
135.11682	18.9
135.12646	1.3
136.12094	0.8
137.05966	7.7
137.09567	3.3
139.07555	1.4
141.06927	0.8
142.07806	2.6
143.08505	3.4
145.06462	2.6
145.10114	24.2
146.10394	0.8
147.04385	1.2
147.08046	7.1
147.11678	17.2
149.05954	2.1
149.09608	8.2
151.03902	3.2
151.07530	3.7
151.11211	0.7
153.09152	1.1
153.12717	6.7
155.08546	2.8
157.10118	16.0
158.10524	0.7
161.06004	2.3
161.09647	1.4
163.07523	1.9
163.11174	42.9
164.11575	1.9
165.09099	1.6
165.12778	5.0
173.09610	5.1
175.11168	18.7
177.05453	2.1
181.12231	7.2
182.43063	0.7
183.11714	0.8
187.07544	0.8
189.09145	2.2
189.11218	1.5
191.10664	5.2
193.12228	79.6
194.12512	4.4
209.11719	11.5
211.13280	83.2
212.13658	3.4
221.11765	1.1
227.12723	5.0
231.13611	1.0
249.14851	1.9
267.15845	4.5
283.15393	3.0
301.10757	2.2
331.06555	1.9
355.04205	0.9
365.21341	0.9
369.17282	0.8
383.22192	4.2
401.23218	2.5
475.21234	0.7
475.26663	3.3
476.61267	0.8
493.27951	100.0
494.28348	9.9
501.70197	0.7
506.44492	0.8
518.76141	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23796	1.6
51.16476	1.5
52.15927	1.8
53.03941	9.8
55.01871	23.9
55.05508	45.1
57.03429	19.8
57.07073	4.0
59.04995	3.2
61.02913	1.7
65.03635	1.5
65.03942	7.7
65.36645	1.5
67.05503	75.3
69.03428	17.7
69.07066	21.3
69.70557	4.4
69.70970	4.9
71.01391	3.6
71.05002	10.4
77.03927	2.7
79.05489	71.0
81.03414	100.0
81.07050	59.9
82.03761	2.6
82.04219	3.7
82.07427	2.0
83.01351	3.3
83.04971	32.2
83.08619	42.9
85.02903	34.1
85.06567	4.6
91.05478	67.7
92.05772	3.0
93.03487	2.4
93.07041	55.2
94.04204	3.6
95.04964	47.0
95.08598	30.6
97.02895	11.3
97.06513	13.9
97.10172	18.2
98.07326	4.5
99.04486	2.9
99.08112	4.0
103.05471	7.5
105.04536	2.3
105.07027	48.3
105.07723	2.4
106.19988	1.6
107.04955	27.0
107.08599	31.1
108.08891	1.9
109.02928	3.7
109.06511	11.7
109.10159	20.7
111.04436	13.1
111.08083	18.4
113.06022	3.2
115.05504	5.9
116.06334	2.0
117.05512	4.8
117.07016	15.8
118.07340	2.5
119.04954	6.9
119.08575	37.3
121.02886	5.0
121.06505	13.5
121.10135	25.0
122.10471	1.7
123.04447	8.8
123.08036	10.9
123.11752	5.7
125.05919	3.1
125.09605	15.0
127.03932	4.3
127.11208	3.6
128.06262	6.1
129.07021	20.6
130.07886	1.8
131.04961	9.1
131.08557	22.5
133.06506	9.8
133.10149	19.8
135.04439	6.3
135.08054	10.1
135.11691	16.9
136.12057	2.0
137.05974	35.4
137.06972	2.1
137.09633	6.3
138.06346	2.7
141.07011	2.7
142.07774	3.5
143.08551	9.0
145.04924	3.3
145.06535	7.6
145.10120	24.4
147.04437	5.1
147.08058	8.2
147.11673	16.4
148.05193	3.6
149.05981	5.4
149.09663	8.0
149.13350	2.5
151.03964	7.5
151.07532	10.9
151.11201	2.9
152.07928	2.9
153.05475	2.1
153.09084	4.1
153.12772	10.1
155.08644	5.3
157.10150	15.1
158.05840	2.3
159.08061	2.0
159.11731	3.3
161.05965	12.0
161.09656	6.1
161.13361	2.7
163.07518	9.5
163.11165	28.5
164.08047	4.0
165.05638	2.2
165.09074	5.9
165.12819	4.3
171.06644	2.6
171.08049	3.1
171.11729	2.3
172.08446	3.4
173.09633	12.1
173.11765	2.9
175.11183	15.9
177.09134	2.1
180.08707	1.9
181.12271	8.4
183.11723	1.9
185.13246	2.9
187.07585	3.2
187.11205	2.5
189.09157	13.1
189.11284	8.2
189.12808	2.7
190.09526	4.9
191.10701	23.3
193.12242	58.7
193.13940	3.1
194.12770	2.7
195.10332	2.2
201.12950	3.3
201.14912	6.8
203.10530	2.0
205.12228	43.2
205.14044	2.8
209.11716	15.2
211.11354	1.8
211.13277	40.3
227.07022	1.9
227.12732	16.2
229.14316	3.1
231.13889	4.5
247.13225	14.6
249.15021	6.0
259.13440	3.3
267.15881	10.6
271.09692	2.2
272.10406	2.1
273.10922	2.5
283.15573	8.0
285.17105	2.4
313.14429	11.7
314.14667	26.4
315.15198	1.9
321.10898	1.7
321.17120	6.2
337.21719	2.5
351.12320	2.4
351.18082	1.6
355.22894	3.3
365.21265	2.8
377.23190	1.9
383.22565	9.6
398.01315	2.0
401.23383	5.8
408.34598	1.8
419.24371	2.9
447.27594	2.1
475.27008	19.3
476.27637	2.7
487.93658	1.9
493.28165	71.0
494.28665	5.8
501.51205	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.329
Annotation	bis(7)-Tacrine
Peak:m/z	Relative Intensity
55.01880	0.2
55.05517	0.4
57.07090	0.2
64.06277	0.2
67.05497	0.7
69.07069	0.4
69.10125	2.2
71.04962	0.3
79.05496	0.8
81.07049	1.0
81.51197	0.2
83.08601	0.3
91.05472	1.7
92.05804	0.3
93.07064	0.5
95.08609	0.9
105.07013	1.0
106.07308	0.3
107.08614	0.5
109.10177	0.3
109.52250	0.2
111.08094	0.2
121.10125	0.5
126.11845	0.2
133.06497	0.7
133.10106	0.4
134.07213	0.2
135.08031	0.8
135.11644	0.3
137.06010	0.4
151.07535	0.3
165.03708	0.4
192.60153	0.2
198.12848	0.7
199.13124	0.6
245.98135	0.2
278.16595	0.3
295.17334	0.5
296.17596	0.7
449.34604	0.2
464.75366	0.3
493.32898	100.0
494.33246	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	493.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	3.1
57.03427	0.5
67.05495	5.9
69.07077	2.2
69.81818	1.3
69.82218	0.8
71.04980	0.6
71.08638	0.5
79.05480	3.5
81.07053	7.4
83.04956	0.7
83.08610	2.5
85.06544	0.6
91.05452	2.4
93.07025	3.1
95.04947	0.6
95.08595	5.6
97.10159	2.9
105.07043	1.8
107.08578	3.0
109.10144	3.9
117.07011	1.1
119.08552	2.4
121.10163	3.5
123.11734	1.5
125.09633	2.3
131.08606	1.4
133.10149	1.6
135.08098	0.8
135.11716	2.1
143.10695	1.1
145.10149	1.5
147.11726	2.1
149.13255	1.2
157.10126	0.5
159.11688	1.1
161.13306	1.3
162.13667	0.5
163.14821	0.5
173.13312	0.7
175.14993	0.7
177.05484	0.9
179.14246	0.6
185.13336	0.6
187.14926	0.7
243.21181	1.1
261.22275	1.7
279.23123	2.3
328.97803	0.5
369.25342	0.5
385.31284	0.7
391.28323	0.7
403.32349	2.4
407.27936	1.9
430.96088	0.5
455.15411	0.6
475.29907	0.7
493.32385	100.0
494.32941	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	493.3495
Annotation	28-Homodolicholide
Peak:m/z	Relative Intensity
58.40160	0.6
67.05506	1.7
69.07079	1.1
69.36604	2.7
69.37024	1.4
79.05501	0.8
81.07078	1.8
84.58475	0.6
91.05492	3.6
92.05771	0.8
93.07045	1.1
95.05060	0.5
95.08633	1.8
105.07047	1.9
107.08615	1.0
109.10210	1.2
119.08600	1.1
121.10159	1.0
133.06499	1.4
135.08118	1.8
135.11710	1.0
137.05959	0.8
143.17435	0.6
145.10204	0.7
151.07576	1.0
165.03778	1.0
181.10197	0.7
198.12807	0.9
249.78633	0.7
295.17429	1.4
296.17755	1.3
473.26730	0.7
493.35068	100.0
494.35406	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	494.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43523	0.5
51.02372	0.8
53.03938	2.9
55.01869	0.8
55.05503	1.1
57.03436	10.0
57.43167	0.5
63.49755	0.4
65.03904	0.6
67.05496	1.6
71.01369	0.5
71.04977	0.5
73.02928	1.3
76.40044	0.5
77.03930	1.3
79.05494	13.0
81.03420	1.3
81.07051	2.1
83.05019	0.7
83.08617	0.5
85.02904	2.8
85.06598	0.6
91.05483	1.9
93.07055	0.8
95.01348	1.3
95.04977	4.4
95.08617	1.6
98.23325	1.1
105.03394	91.1
105.07030	1.1
106.03737	2.0
107.08610	1.0
109.10127	1.0
111.08090	0.5
113.02364	1.5
114.16096	0.5
117.06941	0.6
119.08590	1.0
123.04435	16.4
123.08054	0.6
127.03312	0.5
131.08569	0.7
135.11711	1.0
141.01802	1.4
147.11768	0.7
151.07549	1.0
159.02922	0.6
165.09106	1.9
179.07033	100.0
180.07347	3.5
185.09816	1.1
193.12283	0.8
221.88385	0.5
233.33463	0.5
253.04950	0.5
283.09647	5.2
301.10501	0.6
315.08145	0.9
316.08539	0.6
317.08731	0.8
330.10474	1.6
331.10590	1.3
332.11041	1.0
355.10065	2.0
450.27853	2.2
494.16324	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58070	0.9
53.03953	1.0
55.01873	2.0
55.05513	0.8
57.03435	7.2
58.99585	8.0
61.49268	0.8
65.03946	1.1
67.05502	1.9
69.03426	1.6
69.07064	0.9
69.19061	0.9
69.19348	2.4
69.19743	4.1
70.06580	1.3
71.04981	1.4
78.85690	0.8
79.05496	6.9
81.03426	1.7
81.07047	1.7
84.61569	0.8
85.02892	5.4
86.99049	12.5
91.05492	3.0
93.07069	0.9
95.04967	1.3
97.02912	1.9
99.04468	0.9
103.05463	8.5
104.53851	0.8
105.00085	25.1
105.07024	55.5
106.07349	1.8
106.95200	0.8
107.04959	1.2
109.02862	1.2
115.05450	10.7
118.04140	4.0
119.08552	1.1
121.06481	0.9
121.10202	1.1
123.04453	1.5
126.05561	1.0
131.04887	1.9
131.98602	0.9
133.06482	54.6
134.06821	1.2
135.04442	1.8
137.06000	3.0
140.07048	1.4
143.05020	1.2
143.06015	5.0
145.05023	1.3
147.04390	1.2
151.04021	1.1
153.01877	1.5
161.02718	13.5
161.05969	100.0
162.06360	4.0
163.03886	1.8
165.05507	1.3
165.42537	0.8
166.07175	1.6
167.03438	1.0
167.07069	2.2
175.07655	0.9
181.04974	1.1
193.08597	83.5
194.08926	2.6
206.04587	1.1
215.45171	0.9
217.05350	0.8
273.07471	0.9
319.08243	1.0
333.06174	1.5
493.30057	8.8
494.17068	1.5
494.30191	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	494.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00058	0.4
53.03936	2.0
57.03421	1.4
57.12484	0.4
61.02924	2.3
66.05622	0.4
69.03435	4.2
71.04975	0.7
71.32449	0.7
73.02895	0.7
79.05478	1.7
81.03403	2.6
85.02901	26.0
87.04426	0.7
91.03957	1.1
92.02613	0.8
95.04964	1.9
97.02319	0.7
97.02886	7.9
98.06078	0.5
99.04454	1.4
103.03937	1.7
105.04582	0.7
109.02864	2.4
115.07482	0.4
127.03905	6.3
135.04405	100.0
136.04732	2.9
138.04269	0.5
141.80974	0.4
141.84177	0.4
144.06551	1.3
145.04951	9.7
153.05458	50.9
154.05791	1.4
163.06032	2.8
167.42570	0.4
192.83487	0.4
205.04758	0.9
262.35864	0.5
265.49387	0.4
319.04483	1.3
494.10455	0.8
494.16949	3.8
498.34204	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
55.01859	1.5
55.05518	1.6
55.05746	0.3
57.03440	2.0
61.02932	2.1
67.05499	2.1
69.03432	4.8
69.07049	0.5
71.04983	0.9
73.02907	0.9
79.05494	2.5
79.53927	0.3
81.03426	4.6
81.07073	1.9
82.03738	0.5
83.05007	0.6
83.08607	1.2
84.02151	0.5
85.02904	17.8
87.04480	0.5
91.03959	0.7
91.05482	2.8
92.05831	0.4
93.07075	1.6
94.04178	1.4
95.04967	1.7
95.08598	1.1
97.02889	6.0
97.06533	0.6
97.10168	0.4
98.22498	0.8
99.04446	0.7
103.05460	0.9
105.07040	2.3
107.04957	0.8
107.08610	0.6
109.02880	1.8
109.06538	0.5
109.10160	0.6
117.07034	1.8
119.08552	1.0
121.10159	0.6
122.03654	1.6
122.10514	0.4
123.04445	5.4
123.08081	0.6
127.03922	3.3
129.06996	0.8
130.07724	0.8
131.04919	2.5
131.08557	1.0
133.06523	0.4
133.10143	0.5
135.11687	0.4
137.05981	38.9
138.06288	1.3
139.64941	0.3
143.08495	0.4
144.05653	0.5
145.04956	5.0
145.06482	5.1
145.10129	9.5
147.11655	0.4
148.05109	0.5
149.05997	0.5
155.08540	0.8
157.10173	0.6
158.07281	2.1
159.08076	0.9
163.06128	0.7
163.07550	2.0
163.11134	0.5
173.09624	16.2
174.09990	1.1
175.11128	0.3
176.08330	1.1
177.09125	1.8
180.08694	2.5
190.09811	0.8
191.10669	7.6
193.12251	1.5
194.12593	0.7
205.12244	100.0
206.12587	3.8
211.13277	1.5
212.13696	0.6
227.06984	0.8
244.07260	0.3
300.13596	0.7
315.15793	1.3
433.71936	0.4
476.27457	0.7
494.28305	1.5
495.16034	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
55.01875	0.8
55.05519	1.0
57.03428	10.0
61.02940	1.5
67.05510	1.1
69.03416	1.8
69.38923	4.9
71.01367	1.0
71.04990	73.5
72.05341	1.2
73.02914	2.5
75.04479	4.3
75.70578	0.6
81.03422	1.4
81.07041	3.6
83.04972	8.0
85.02902	100.0
86.03246	0.7
87.04462	2.1
87.06408	0.7
87.34106	0.7
95.04967	1.1
95.08620	0.9
97.02882	3.4
99.04466	1.1
103.03947	1.2
109.02898	1.1
111.04454	3.4
123.04465	1.0
123.11700	6.9
123.20124	0.8
127.03909	2.7
129.05470	45.0
135.07983	0.8
137.05984	1.6
145.04944	3.1
146.08151	1.5
147.06514	23.3
148.06940	0.7
151.11139	1.0
153.01848	0.8
155.07098	0.8
162.07599	1.3
164.09193	6.9
167.06961	1.1
169.12206	1.0
180.08669	1.8
181.05017	1.0
182.01317	0.7
200.49637	0.7
209.08197	0.7
225.07487	0.8
244.57520	0.6
255.08765	1.0
277.27594	0.7
297.16956	2.8
309.11630	1.1
310.70322	0.7
313.16415	1.0
314.85736	0.8
316.05319	1.0
317.06131	1.0
331.08038	0.9
332.08386	2.1
349.73038	0.7
371.21317	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
54.18447	0.4
55.01863	1.2
55.05513	4.1
56.05021	0.4
57.03416	0.7
58.06598	1.3
59.07384	0.5
60.08166	19.7
65.03920	0.7
67.04241	1.1
67.05504	7.6
68.05031	3.8
69.03422	1.4
69.05813	5.0
69.07069	2.2
71.04985	1.1
75.87234	0.4
79.05048	0.5
79.05492	7.3
81.03421	1.3
81.06571	0.7
81.07056	14.7
83.04958	1.0
83.06105	0.6
83.08617	2.1
85.02969	0.6
86.00642	1.6
91.04945	0.6
91.05477	7.3
93.07053	8.6
94.05337	0.5
95.04971	3.1
95.06123	0.5
95.08599	8.4
97.02851	0.5
97.06510	0.9
98.57019	0.4
99.01420	2.6
99.08128	0.5
100.02204	4.2
105.07037	3.8
106.24479	0.4
107.04977	2.3
107.06062	0.5
107.08594	3.7
109.06528	3.4
109.10149	2.0
111.08107	0.7
113.01723	0.6
113.10774	0.8
114.02493	0.7
115.05515	0.5
117.07013	2.0
119.08582	3.9
121.06503	1.0
121.10139	4.8
123.08060	1.4
125.01700	2.1
125.06016	1.1
126.01554	0.8
126.02483	17.2
127.03261	60.5
128.03624	0.6
129.07019	0.7
131.08588	2.6
133.06497	0.5
133.10152	1.9
135.08047	2.7
135.11742	0.9
137.09625	2.0
139.03262	1.1
143.02771	2.0
143.08569	0.5
145.04305	49.1
145.10155	2.3
145.17569	0.4
146.04755	0.4
147.08041	0.4
149.09659	3.2
151.07603	0.7
151.11154	0.6
153.05455	1.1
154.06161	0.5
155.03357	0.5
157.06699	1.6
159.11714	1.0
163.07581	0.5
163.11099	2.0
165.09117	0.8
167.02766	0.5
170.05746	1.1
170.07492	1.2
171.02226	1.3
173.09590	0.6
175.12329	0.5
175.53271	0.4
182.05759	1.3
184.09019	2.7
185.09811	37.4
186.10635	6.1
187.11128	0.8
189.03497	0.4
191.10786	0.4
197.08110	2.9
198.10568	0.7
201.12804	0.4
209.11357	0.5
211.14812	0.4
219.17410	0.7
229.15964	0.9
247.16898	1.1
265.18085	0.6
281.13184	3.5
309.12616	1.0
317.06119	0.6
331.08011	0.5
332.08499	1.2
369.42978	0.4
391.20456	9.6
392.20813	1.1
407.20276	0.7
435.19507	0.7
450.27844	100.0
451.28088	7.1
494.26855	2.6
495.18161	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	9.3
56.69893	2.8
57.07075	3.2
59.85285	2.8
67.05507	18.8
69.03427	3.1
69.07069	17.2
69.20484	24.9
71.04987	24.2
73.06538	2.4
79.05504	9.3
81.07059	28.4
83.08618	6.2
85.06541	11.4
91.05476	13.4
93.07032	18.8
95.04980	4.8
95.08599	44.3
97.06544	2.7
97.10165	12.6
99.08089	3.9
105.07022	29.3
107.08587	57.0
109.10151	92.7
117.07057	3.1
119.08561	36.3
121.10125	29.0
123.11716	16.5
125.09618	43.2
127.11188	100.0
128.13525	2.6
131.08551	11.1
133.10118	30.4
135.11699	27.9
137.13205	3.0
143.10666	80.8
145.10127	16.3
147.11688	31.7
149.13289	11.9
151.11310	3.3
156.10658	2.9
159.11679	23.5
161.13187	16.3
163.14841	10.6
171.11720	6.0
173.13309	11.9
175.14864	9.4
187.14760	12.8
189.16391	23.7
191.17937	25.8
199.14886	4.4
201.16415	15.0
203.17990	9.5
207.17413	23.6
213.16350	3.9
215.18018	14.4
217.19565	4.4
227.18010	3.2
232.69420	2.7
233.19029	11.9
236.30522	3.1
247.20709	3.9
338.17966	2.8
423.36209	37.8
441.37213	20.4
459.38452	10.2
494.28900	17.0
495.30496	56.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	12.4
57.07075	4.2
57.28404	3.7
61.64396	3.9
67.05494	36.9
69.07069	19.3
69.55048	21.9
70.31525	3.7
79.05489	15.6
81.07047	31.1
83.04997	4.9
83.08612	15.1
85.06513	4.3
91.05458	9.6
93.07035	24.4
95.04996	4.3
95.08608	33.6
97.10220	4.6
98.23315	4.6
105.07039	20.2
107.08585	29.8
109.06506	4.7
109.10154	100.0
117.07082	3.7
119.08573	23.4
121.06503	5.3
121.10142	28.1
123.11703	18.2
125.09598	6.9
131.08563	9.7
133.10118	15.6
135.07994	5.5
135.11722	26.0
145.10123	11.3
147.11693	16.6
149.02324	5.0
149.13274	13.3
151.11195	8.6
157.10173	4.5
159.11694	15.9
161.13235	18.1
163.11169	8.7
163.14833	14.0
169.10115	5.0
173.13281	9.5
175.14795	11.1
185.13255	5.2
187.14856	11.2
187.37062	4.1
189.16376	13.0
191.17955	20.4
203.17976	6.8
207.17441	5.8
215.18045	6.7
229.11842	7.0
236.14954	8.2
259.17224	4.1
288.22067	4.7
341.28333	29.9
359.29529	5.4
399.96814	4.2
405.35150	6.9
423.36679	9.0
441.37570	39.3
442.37570	5.8
494.28745	46.2
495.30573	60.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.0769
Annotation	Myricetin 3-O-glucuronide
Peak:m/z	Relative Intensity
55.01862	0.7
57.03430	1.3
65.03932	0.2
67.01875	0.2
68.99783	1.0
69.03426	0.8
70.65944	0.2
71.01354	2.3
71.32468	0.1
73.02914	3.3
74.58346	0.2
75.04462	0.2
81.03397	0.4
83.01319	0.4
85.02901	10.3
91.05515	0.3
93.03402	0.6
95.01313	1.2
95.04965	0.3
97.02886	0.7
97.28127	0.2
99.00842	0.9
99.84340	0.2
101.02380	0.8
101.73173	0.2
103.03933	0.8
107.04935	0.4
108.04478	0.2
109.02873	0.2
111.04411	0.2
113.01627	0.3
113.02362	3.7
115.05418	0.2
117.01865	0.3
119.04922	0.3
121.02855	1.3
123.00790	0.3
123.04416	0.8
125.02333	0.6
127.00262	0.2
131.03401	3.1
131.04881	0.2
133.06430	0.2
135.04375	0.4
137.02345	4.1
137.03435	0.4
137.05925	0.3
139.00235	0.3
141.01834	1.9
142.02615	0.2
147.04408	0.8
149.02306	0.3
151.00465	0.2
151.03897	0.8
153.01801	2.1
153.05392	0.2
155.04903	0.2
159.02908	1.6
161.05919	0.2
163.03838	0.2
165.09177	0.2
169.01318	8.3
171.02930	0.6
171.04407	0.9
175.03906	0.6
178.56953	0.2
181.01360	1.8
181.04999	0.4
185.00793	0.5
189.05460	0.8
197.80197	0.2
199.03905	1.8
203.03378	0.6
217.04936	1.5
227.03416	0.8
233.74556	0.2
245.04465	3.8
249.03928	0.2
255.02896	0.5
255.89665	0.2
263.05469	0.7
273.03946	2.7
274.04279	0.2
287.97751	0.2
290.04211	0.9
301.03482	1.9
319.04453	100.0
320.04810	5.5
343.91174	0.2
391.69110	0.2
495.17297	0.6
495.31345	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.077
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38227	0.2
55.01863	0.5
57.03438	1.5
63.37335	0.2
67.01854	0.4
68.99789	1.8
69.03421	0.7
70.62965	0.6
71.01353	2.6
73.02913	4.7
75.04467	0.4
77.48521	0.3
81.03398	0.5
82.62375	0.3
83.01324	0.4
85.02900	11.2
92.39837	0.2
93.03358	0.3
95.01322	1.4
97.02877	1.4
99.00799	0.7
101.02372	0.6
103.03950	0.6
104.88475	0.2
105.07040	0.2
109.02859	1.9
111.00800	3.8
111.04436	0.4
113.02366	4.8
114.02698	0.3
121.02860	0.5
121.06474	0.4
123.04493	0.3
125.02293	0.3
127.03901	0.7
131.03401	3.1
133.02859	0.3
137.02332	2.2
139.03873	0.3
141.01801	1.6
147.04395	0.5
149.02242	0.4
153.01819	15.4
153.05385	0.4
154.02242	0.4
159.02892	2.3
159.04086	0.4
161.05962	0.6
162.06462	0.3
165.01831	4.7
166.02567	1.1
171.04306	0.3
175.03801	0.3
176.85883	0.3
177.05516	0.4
179.03381	1.9
183.02890	1.5
189.05486	1.1
193.01393	0.5
194.01973	0.3
195.02902	0.9
199.03905	0.7
203.03415	0.8
207.02855	0.4
217.04926	4.2
219.03006	0.3
221.04376	0.4
227.03384	0.7
231.02881	0.5
235.02344	0.4
244.03665	0.4
245.04443	6.0
246.04845	0.3
255.02812	0.9
263.05472	1.0
273.03922	5.8
274.04437	0.4
290.04129	1.7
301.03384	1.2
319.04449	100.0
320.04749	6.4
343.04373	0.4
430.37814	0.3
495.14905	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.7
55.01873	8.1
55.05508	30.4
56.26436	1.2
57.03432	17.7
59.05007	2.6
62.59179	1.1
65.03947	4.9
67.05502	50.1
69.03419	8.7
69.07066	13.9
71.04993	11.5
73.02917	1.4
73.30779	1.0
79.05488	53.3
79.05956	2.6
81.03415	98.8
81.07052	61.1
82.03741	1.3
82.07375	2.0
83.04975	20.4
83.08620	40.8
84.08934	1.4
85.02901	50.7
85.06543	3.3
91.05475	60.8
92.05820	1.8
92.80862	1.2
93.06457	2.0
93.07040	38.1
94.07379	1.4
95.04964	47.2
95.08599	23.5
97.02886	5.6
97.06518	10.4
97.10159	8.9
99.04440	1.6
99.08078	2.8
100.11262	3.6
101.64513	1.3
103.03920	1.4
103.05486	2.6
105.07025	40.7
107.04944	11.8
107.08583	20.3
109.06522	10.4
109.10147	8.8
111.04429	10.5
111.08076	21.2
113.06041	4.2
115.05459	2.4
117.06994	6.5
119.04977	1.7
119.08574	30.9
120.08930	1.5
121.06552	4.6
121.10136	19.2
123.04478	1.3
123.08102	5.1
123.11743	5.0
125.06007	1.9
125.09608	6.2
127.07647	1.4
129.07014	18.5
131.08568	18.3
133.06464	5.5
133.10115	17.9
135.08101	3.0
135.11646	7.1
137.06006	4.3
137.09660	3.5
141.07062	1.5
142.07797	4.8
143.08559	3.0
145.04202	1.6
145.06520	2.2
145.10078	8.1
147.04433	1.7
147.08018	6.3
147.11673	24.0
147.12714	1.8
148.12202	1.4
149.09608	10.2
149.13293	4.5
151.03905	2.5
151.07584	3.1
151.11220	2.2
153.12746	2.1
155.08604	2.2
157.10130	25.0
159.11705	2.4
161.13297	1.4
163.11194	5.9
165.09132	1.7
165.12799	6.5
167.07045	1.8
171.11705	1.5
173.09659	2.4
175.11183	25.6
175.12607	1.6
177.12775	2.2
181.12318	4.2
182.15405	2.3
185.09937	1.6
189.11348	2.5
191.10706	3.5
193.12231	96.9
194.12680	3.8
195.11708	1.4
195.13878	3.3
205.08621	1.5
205.12355	2.1
209.11789	3.3
210.14920	2.7
211.13280	100.0
212.13734	4.5
227.12813	5.1
267.15961	7.3
269.17575	2.6
283.15585	3.8
285.17029	3.3
286.08820	1.1
359.22171	1.3
367.22769	3.5
385.23636	2.9
403.25183	3.6
407.77957	1.4
451.27625	1.5
452.29700	2.8
459.27725	2.9
460.27731	2.2
477.28427	8.4
495.16806	2.4
495.29666	67.3
496.30084	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	495.295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.2
53.03941	5.7
55.01867	7.4
55.05507	28.3
55.45438	1.0
57.03433	15.9
57.07102	1.5
59.04995	1.9
60.08161	5.0
63.07272	1.1
65.03940	4.7
65.29457	1.2
67.05501	39.0
68.05032	1.5
69.03426	8.1
69.07062	11.4
71.04992	10.1
79.05489	42.7
80.05836	1.5
81.03413	87.3
81.07052	48.1
82.03748	1.7
82.07397	2.0
83.04974	20.0
83.08121	1.9
83.08614	34.5
83.09090	2.2
84.08984	1.2
85.02901	48.8
85.06572	3.2
86.03265	1.4
87.04475	1.6
91.05477	50.6
93.07039	33.4
95.04964	44.1
95.08604	19.1
96.08984	1.4
97.02898	4.6
97.06522	8.5
97.10155	8.0
98.22586	2.1
99.08102	1.9
100.02228	1.3
100.11266	4.7
103.05472	2.0
104.31366	1.1
105.04532	2.1
105.07023	36.9
107.04951	11.2
107.08588	13.6
109.02895	1.4
109.06510	11.5
109.10170	6.1
110.06858	1.1
111.04463	5.5
111.08069	20.0
111.08826	1.5
113.05984	5.3
115.05507	1.9
117.07007	6.0
119.04946	1.9
119.08573	30.8
120.08921	1.2
121.06510	4.1
121.10138	18.3
123.04420	2.4
123.08092	4.6
123.11742	5.1
125.05987	2.1
125.09634	3.4
126.02478	5.3
127.03268	18.2
128.03604	3.6
128.06212	2.1
129.06993	15.1
131.08549	17.3
133.06526	5.0
133.10121	19.9
134.10394	1.2
135.08081	3.7
135.11661	2.3
137.06013	4.8
137.09662	4.5
139.11122	1.7
142.07793	5.5
143.08559	1.3
145.04303	17.6
145.06587	2.1
145.10138	4.2
146.04666	1.6
147.08057	5.4
147.11676	23.8
149.06007	2.1
149.09602	10.4
150.09958	1.1
151.03911	3.2
151.07585	4.6
151.11232	2.1
155.08635	1.5
157.10114	20.4
159.11696	2.7
161.09666	2.0
163.11201	3.1
165.05421	1.2
165.09169	3.2
165.12744	6.7
167.07111	5.1
167.10704	1.3
168.13852	1.1
173.13290	1.5
175.11169	24.9
177.05510	1.3
177.09184	2.3
181.08720	1.4
185.09804	8.8
186.10255	4.5
187.11092	1.5
193.12230	94.5
194.12637	3.7
197.08076	1.9
210.14940	2.5
211.13280	100.0
212.13672	3.8
213.05548	1.1
219.13806	1.5
227.12805	2.0
233.08041	5.7
234.08839	3.1
245.08156	4.8
249.15027	1.1
256.36407	1.2
257.65393	1.2
263.09088	10.2
267.15912	7.4
267.22818	1.3
285.17102	3.1
287.09317	2.0
295.20279	1.3
311.09225	1.1
311.23041	1.4
315.19424	1.3
317.06143	1.9
317.09964	1.1
318.06436	3.3
331.08347	3.3
332.08514	3.5
333.08783	9.2
333.20172	1.3
355.15030	1.4
365.12305	2.5
383.13336	2.6
385.23560	1.7
392.20969	3.5
450.28049	1.7
451.28128	44.2
451.34326	2.2
452.28217	3.5
459.27496	2.5
477.28592	3.0
495.29642	69.1
496.29846	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	495.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23566	0.7
51.02377	1.1
53.03937	5.5
55.05507	28.6
57.03434	19.3
57.07058	1.9
59.04997	1.7
63.00204	0.7
65.03941	4.6
67.05501	52.2
68.05840	1.1
69.03419	8.1
69.07063	14.3
71.01353	1.6
71.04990	10.2
73.02883	0.9
77.03886	1.0
79.05490	53.8
80.05817	1.0
81.03413	100.0
81.07053	58.4
82.03739	1.6
83.04469	1.0
83.04977	23.5
83.08614	38.3
85.02898	51.9
85.06537	5.3
86.03260	1.5
87.04442	1.3
90.35981	0.8
91.05473	61.7
92.05800	1.8
93.07042	36.4
95.04961	46.0
95.08599	23.6
96.08931	1.0
97.02888	5.4
97.06531	8.9
97.10160	8.2
99.04472	1.3
99.08080	1.9
103.05466	1.8
105.04523	1.5
105.07021	44.0
106.07322	1.3
107.04955	11.2
107.08591	18.2
109.06504	7.0
109.10143	8.7
111.04441	5.0
111.08079	19.0
113.05994	5.7
114.11227	0.8
115.05441	2.3
117.06998	5.4
119.04890	1.7
119.08570	35.2
120.08973	1.0
121.06498	3.3
121.10136	20.9
122.10500	0.9
123.04408	0.9
123.08067	5.9
123.11682	5.0
125.05958	1.8
125.09665	4.9
127.11172	1.0
128.06224	2.5
129.07001	18.9
130.07379	1.1
131.08559	20.7
133.06467	6.1
133.10120	18.1
135.08026	1.9
135.11659	3.6
137.05946	2.3
137.09618	4.2
139.07526	1.1
142.07770	4.8
143.08582	1.3
145.06525	1.0
145.10112	5.3
147.08049	6.7
147.10580	1.4
147.11681	21.4
149.09627	9.7
149.13261	3.1
151.03905	0.9
151.07516	1.8
151.11169	1.4
155.08524	1.5
157.10121	19.6
158.10474	1.3
159.07953	1.1
159.11674	1.4
161.05942	1.2
161.09575	1.0
163.11180	2.7
165.09030	0.8
165.12747	5.2
171.11722	1.4
173.09541	0.9
174.43031	0.8
175.11168	24.4
176.11444	1.2
181.12216	1.2
187.11087	1.2
189.11195	1.3
193.12227	85.8
194.12564	3.0
195.13727	1.7
209.11562	1.2
211.13275	96.4
212.13513	3.7
227.12718	1.7
267.15887	8.1
269.17459	1.1
285.16925	3.6
323.18436	1.5
349.15125	1.0
385.23328	1.3
441.26575	1.2
459.27615	2.9
477.28699	4.7
478.29810	1.0
495.30060	76.0
496.29974	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	495.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.5
55.05508	8.7
55.33862	0.4
57.03425	3.0
57.07067	3.1
65.03945	1.1
67.05502	23.3
68.31090	0.4
69.03423	2.1
69.07063	6.8
70.04215	0.5
71.04997	2.8
73.02914	1.1
79.05491	17.6
80.05836	0.6
80.06283	0.6
81.03414	4.8
81.07056	26.8
82.04189	2.9
83.04974	6.4
83.08608	5.1
85.02914	0.7
85.06543	1.4
91.05477	13.9
91.06045	0.7
93.06441	0.9
93.07043	19.1
94.04229	0.6
95.04973	6.3
95.08601	7.8
96.05772	0.6
97.02904	0.9
97.06528	5.2
97.10162	2.4
98.07314	2.8
99.04504	0.5
99.08096	1.1
103.05470	1.0
105.04499	0.6
105.07027	6.3
107.04977	1.7
107.08591	9.4
109.06510	1.5
109.10158	2.5
111.04488	0.9
111.08097	3.5
113.06118	0.5
116.04700	0.7
117.05521	0.7
117.07016	3.7
119.08600	3.5
121.06509	1.8
121.10146	6.1
123.08078	2.6
123.11731	1.5
125.09601	3.1
127.11194	0.9
129.06990	2.0
131.08559	4.0
133.06558	0.6
133.10124	5.6
135.08063	1.0
135.11682	4.0
137.05989	0.7
137.09624	1.0
145.06526	0.6
145.10141	1.3
147.11656	2.5
148.12457	1.4
149.06032	0.9
149.09610	1.2
149.13255	9.4
151.03920	0.6
151.11220	0.7
153.09149	0.9
153.12825	0.8
157.10139	1.2
158.05785	2.4
159.08026	0.6
159.11696	4.1
163.07506	0.5
163.11208	1.8
165.12814	0.5
167.07159	0.4
167.14368	0.6
171.06505	3.4
171.07802	0.5
171.11639	0.5
173.09624	0.6
175.11217	0.8
177.12735	2.1
181.12268	0.9
185.08130	1.4
191.10658	0.7
193.12273	0.9
193.23157	0.4
195.13802	4.4
199.09738	1.1
199.13274	0.4
209.11650	0.9
210.12463	0.6
211.13295	1.0
213.14888	0.8
227.12776	1.3
239.12706	0.7
241.14357	0.7
242.15129	0.6
255.15974	1.5
267.15985	0.6
269.17337	1.9
283.15512	0.8
295.19141	1.1
309.20746	0.9
315.72687	0.4
323.18555	3.0
323.21991	0.8
337.20132	1.1
339.12259	0.9
351.21606	2.2
365.23105	0.7
393.26495	0.7
394.27634	0.5
426.65005	0.4
449.29199	0.6
477.28665	1.7
478.29352	1.3
495.30573	100.0
496.30966	9.0
496.38019	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.8
54.83818	0.4
55.01867	1.2
55.05508	3.4
55.94449	0.6
57.03434	0.7
67.05504	10.0
69.07063	3.1
69.16342	3.4
71.05001	2.9
71.16731	0.5
74.76413	0.4
79.05494	5.7
81.03404	1.0
81.07053	12.4
82.42676	0.5
83.04982	1.6
83.08617	2.1
84.79684	0.5
85.06535	0.8
91.05486	5.8
93.07034	6.9
95.04961	1.6
95.08601	4.9
97.06530	2.0
97.10162	1.3
105.07024	3.6
107.04979	0.5
107.08608	4.3
109.06480	1.2
109.10143	3.0
114.68262	0.6
117.07035	1.4
119.08579	2.3
121.06541	0.6
121.10133	3.8
122.09986	0.6
123.08078	1.1
123.11687	2.0
125.06038	0.5
125.09627	1.5
131.08568	1.4
133.10129	3.2
135.08096	0.6
135.11673	1.5
137.06020	0.9
137.09634	0.8
139.11145	0.6
145.10109	1.0
147.11676	0.6
149.09628	0.6
149.13264	1.9
151.03979	0.8
151.11171	1.3
159.11694	1.7
161.13292	0.6
163.11177	0.6
175.11163	0.5
177.05437	0.5
177.12666	0.7
183.13884	0.8
189.09122	0.5
195.13849	1.3
211.09435	0.6
220.12781	0.4
227.12881	0.6
245.13829	2.2
307.18933	1.4
451.30640	1.6
477.29987	0.8
495.33405	100.0
496.33682	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	495.3442
Annotation	Papuaforin D
Peak:m/z	Relative Intensity
53.40729	0.3
55.05507	0.9
55.30665	0.3
67.05495	1.4
69.04679	3.4
69.07043	0.6
79.05497	0.6
81.07048	2.1
86.09708	0.9
91.05490	0.7
93.07037	1.1
95.08582	1.5
105.07027	1.1
107.08591	0.7
109.10159	0.9
119.08570	0.6
121.10125	0.8
123.08041	0.3
124.99942	0.5
133.10126	0.9
135.11696	0.5
143.08534	0.4
145.10074	0.5
147.11678	0.4
159.11795	0.5
164.37506	0.4
173.13121	0.3
183.11705	0.3
184.07336	2.2
185.07643	0.4
193.05057	0.4
194.05490	0.4
237.07668	0.4
302.21646	0.3
323.40173	0.3
458.03076	0.4
495.34860	100.0
496.35312	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	495.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.6
57.03432	1.7
58.06325	0.6
58.06599	7.0
59.07383	1.8
60.08166	2.2
60.13609	0.5
67.05505	3.3
69.07067	1.4
71.33729	0.6
75.04472	0.7
79.05484	1.9
81.07055	3.1
83.04975	0.6
83.08603	0.8
84.08178	0.4
85.02916	0.5
86.09715	1.0
87.04470	1.4
91.05478	1.6
93.07025	2.0
95.04982	0.5
95.08613	3.0
97.10188	0.7
104.10724	1.1
105.07027	1.0
105.11105	0.5
107.08597	1.2
109.10150	1.4
119.08555	1.2
121.10138	1.4
123.08122	0.4
123.11709	0.4
124.99983	1.0
125.09625	0.6
129.07025	0.4
131.08533	0.6
132.42134	0.3
133.10143	1.0
135.11719	0.9
135.71672	0.4
144.10210	1.8
147.11739	0.9
149.13193	0.5
149.37201	0.5
157.10199	0.6
159.11726	1.0
162.11209	1.2
165.08858	0.5
175.15030	0.4
184.07309	1.9
236.14923	22.5
459.34653	0.7
477.29782	1.6
478.35342	5.8
495.34860	100.0
496.36020	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.3
55.05508	1.6
55.46230	0.3
58.06598	0.5
67.05495	3.0
69.07076	1.4
69.71490	1.7
69.93639	0.3
71.04989	0.6
79.05484	2.1
81.07059	4.1
83.08636	1.2
85.02901	0.3
87.76498	0.3
91.05470	1.7
93.07050	2.2
95.04978	0.7
95.08596	3.0
97.06537	0.4
97.10198	0.7
105.07064	1.7
107.08621	1.7
109.06511	0.4
109.10179	1.2
111.08101	0.5
111.74419	0.3
115.98596	0.3
117.07047	0.6
119.08575	1.7
121.10173	1.5
123.08109	0.6
123.11739	0.7
125.09596	0.4
133.10182	0.9
135.08035	0.4
135.11723	1.3
137.09676	0.5
137.13312	0.6
139.11234	0.4
143.08498	0.4
145.06494	1.3
145.10114	0.6
147.11763	0.9
159.08055	0.4
159.11584	0.4
173.09685	0.3
201.14890	1.2
236.15009	1.4
277.21738	0.8
295.22742	0.7
425.23135	0.9
450.38187	0.4
478.35162	0.6
495.20496	3.3
495.30530	12.2
495.36710	100.0
496.30624	1.1
496.37027	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	496.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.5
53.03940	1.2
55.01857	0.5
59.75083	0.5
65.03920	0.4
68.99744	0.4
69.03431	3.5
69.92155	1.6
71.04981	1.0
79.01857	3.2
81.02949	0.6
81.03413	8.4
81.07048	0.4
85.02901	4.0
87.41328	0.3
90.96369	0.3
91.05461	0.6
97.02266	0.4
97.02893	7.7
98.23298	0.5
99.04445	0.7
105.06978	0.4
107.01313	1.7
107.04965	0.4
109.02880	5.0
109.10162	0.4
111.75803	0.4
112.01299	0.4
119.87802	0.4
121.02860	0.6
123.04412	1.4
125.02328	3.3
127.03918	7.6
133.02895	0.5
135.00771	0.5
135.11653	0.4
137.06012	0.8
143.03397	5.1
145.04927	1.3
147.04414	2.8
151.03886	1.0
153.01822	100.0
153.02853	3.8
153.10973	0.4
153.12759	0.7
154.01086	0.4
154.02156	2.4
167.03461	1.4
167.07037	0.6
169.01305	0.7
171.02890	14.3
175.07492	0.5
210.99194	0.4
237.03831	0.5
241.07050	0.4
245.08163	0.5
297.06042	10.3
315.07077	11.2
316.07159	0.5
333.06076	1.2
334.06415	3.8
375.03769	0.6
454.99408	1.2
470.90573	0.4
497.23862	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.7
55.01871	1.6
61.02905	1.8
65.03937	1.5
67.05486	1.6
69.03432	3.7
71.32212	2.2
79.05463	2.6
81.03408	4.6
81.07040	4.0
81.48667	1.4
83.65481	1.4
85.02914	13.6
87.50159	1.4
91.05481	9.5
93.03399	2.8
93.07040	4.3
94.71979	1.4
95.04939	3.7
97.02881	5.3
103.05467	33.3
105.07021	2.4
107.04936	4.1
109.02908	2.3
109.06480	1.8
111.04403	2.5
115.05460	4.9
117.06992	3.3
119.04957	7.7
119.08578	1.5
121.02893	2.7
121.06493	11.5
121.10147	1.5
122.03636	4.5
123.04421	6.9
124.05195	1.8
127.03900	2.5
129.06981	4.1
130.24252	1.7
131.04935	27.3
133.06473	2.6
135.04411	3.8
135.08052	3.6
137.05969	45.1
145.05037	2.3
147.04384	8.1
147.08029	3.5
148.05185	17.2
149.02353	5.5
149.05978	16.5
151.03889	11.1
151.07512	2.9
157.06436	4.2
160.05150	3.7
161.06015	3.0
161.09628	1.6
163.07524	22.4
164.08319	15.0
165.05464	8.6
165.06900	3.2
165.09047	3.3
167.03371	7.6
167.07010	10.4
167.08440	2.6
175.03905	29.9
175.05191	2.4
175.07529	31.3
176.07985	2.0
178.06270	6.5
178.07703	1.7
179.08521	2.6
183.08046	3.4
189.09059	2.9
193.04985	9.5
193.08662	3.2
195.08032	3.5
197.09700	1.8
207.06352	3.1
207.08054	4.8
210.06749	3.6
210.10561	1.5
211.07538	3.6
221.05914	3.7
221.09471	1.7
223.07448	3.5
224.08305	3.8
225.09177	2.9
235.07535	12.1
238.06355	1.5
238.09883	2.6
239.10663	5.5
245.04832	1.5
249.09076	2.4
251.07085	1.5
252.07753	3.4
253.12199	1.7
255.10188	2.0
266.09293	3.0
267.06683	2.2
267.10147	7.0
269.07977	2.0
271.09735	1.6
281.11658	13.5
284.10147	2.3
287.12650	10.2
299.09125	95.9
299.12750	76.3
300.09473	6.4
300.13095	4.2
317.10150	100.0
317.13840	45.7
318.10541	6.5
318.14047	2.1
423.99503	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03933	1.0
57.03423	3.0
59.05009	1.2
61.02917	1.1
69.03426	9.8
69.83279	5.1
70.06588	1.0
71.04957	1.3
73.02895	3.5
81.03403	1.9
85.02907	10.9
86.03236	1.1
87.04455	3.2
95.01380	1.1
97.02901	9.2
98.22638	1.3
104.88158	1.1
109.02888	1.0
110.03653	3.8
111.04441	1.6
113.17707	1.0
115.03931	7.0
121.10142	1.5
123.04430	2.4
123.57475	0.9
125.05965	17.8
127.03915	3.0
133.04962	6.9
135.04419	1.4
137.02289	1.6
137.05981	1.4
138.03151	1.2
139.03894	4.2
145.04930	1.5
151.07549	2.1
153.01842	4.1
153.05457	42.4
154.06236	11.1
155.03464	1.4
155.06854	1.2
155.61005	1.0
163.03865	1.3
164.01648	2.0
165.82104	1.0
166.06166	1.2
167.07045	3.8
167.10658	2.4
169.81592	1.0
170.05777	7.9
177.05457	1.6
178.06242	3.6
181.04980	1.2
181.08601	1.6
182.05791	2.9
185.08083	100.0
186.08437	3.3
194.05724	6.5
195.06422	1.1
197.08095	4.9
209.08073	10.5
220.15895	1.2
221.08040	2.3
227.09180	6.8
237.83365	1.1
251.09135	2.5
263.09149	4.3
281.10211	8.0
299.11432	1.4
320.04953	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.2
57.03422	1.8
59.04994	0.7
61.02921	1.8
64.64117	0.6
67.05495	0.6
69.03424	5.5
70.83220	1.4
71.01353	1.0
73.02525	0.9
73.02914	12.1
73.64341	0.6
80.03550	0.6
81.03403	4.5
85.02905	6.9
87.04460	0.7
95.01291	0.9
97.02882	7.4
103.03933	0.9
109.02898	1.1
110.03654	4.5
111.04432	1.2
115.03931	4.7
125.05984	19.8
127.03918	3.0
133.04968	4.2
139.03911	3.7
145.04964	2.7
148.12228	0.7
153.05467	43.4
154.06253	13.2
155.03387	1.2
155.06964	0.8
157.42113	0.6
163.80463	0.7
164.01649	0.8
167.07027	1.7
170.04289	1.2
170.05737	17.8
182.05719	1.4
185.08086	100.0
186.08504	3.4
192.07755	0.6
194.05785	1.9
197.08023	3.2
204.07788	0.8
209.08118	3.8
221.08049	1.3
227.09138	2.0
231.10211	1.3
235.09624	1.2
251.09091	3.5
253.10410	0.7
263.09128	9.5
281.10184	7.2
299.11368	1.6
317.12143	1.6
318.13470	1.0
480.18576	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.01840	1.2
57.03425	2.0
61.02915	3.5
63.44803	0.5
65.03910	0.7
69.03429	7.1
69.51260	2.9
69.68056	0.5
71.04970	0.9
73.02879	1.4
75.57336	0.6
79.09554	0.5
81.03384	3.4
85.02900	35.1
87.04474	0.7
90.02475	0.6
91.03953	1.7
95.04967	9.0
97.02882	11.5
98.23207	1.1
99.04408	1.1
103.03940	0.9
109.02872	4.6
111.04498	0.5
121.06505	0.7
123.04420	31.1
124.05245	6.0
125.02323	0.6
127.03906	8.3
139.04024	0.6
140.04660	4.5
145.04956	12.4
153.01843	1.4
153.05443	0.7
155.07016	100.0
156.07417	2.9
161.06091	0.7
163.06038	3.5
167.07037	1.3
172.81111	0.7
179.07071	0.9
185.08128	0.8
188.75206	0.6
191.07004	2.0
199.27567	0.7
206.05687	0.7
206.74356	0.5
221.08115	2.4
245.07954	0.8
263.08911	0.8
281.10080	1.9
281.13196	0.6
327.29523	0.6
333.31296	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.7
55.05508	1.0
55.10244	0.5
55.64389	0.5
57.03431	0.9
67.05502	1.5
69.03417	1.6
69.07050	1.3
71.04984	0.7
71.32430	0.6
77.40381	0.5
78.04675	0.5
79.05486	1.7
81.03424	1.3
81.07063	5.5
82.09173	0.5
83.04969	0.6
85.02918	3.5
85.06528	0.7
91.05478	5.3
93.07035	2.2
95.04978	0.7
95.08595	2.3
97.02884	0.9
97.06557	0.8
103.05440	0.7
104.06220	1.6
105.07078	2.5
107.00980	0.5
107.04945	1.1
107.08585	2.3
107.32220	0.5
109.02866	1.0
109.06525	2.4
109.10152	0.9
111.04452	0.7
115.05455	6.8
117.07014	4.2
119.08599	1.6
121.02902	0.5
121.06538	1.0
121.10131	2.2
122.03681	0.9
123.04436	1.9
123.08095	0.7
127.03895	1.1
131.04948	1.2
132.05696	2.4
133.06451	0.7
135.04381	1.2
135.11725	0.6
137.05980	13.3
137.13283	2.5
143.04976	0.8
145.04938	1.1
145.10132	1.3
147.08058	4.0
149.05951	1.4
149.09605	1.0
151.03917	16.1
151.07526	1.7
152.04233	0.8
159.11626	0.4
160.05215	4.9
161.05959	1.7
162.06769	0.6
163.03912	2.0
163.06145	0.5
163.07587	1.3
163.11211	1.5
165.05540	0.6
165.06871	0.8
165.09088	1.0
167.07069	1.0
167.14337	2.0
169.08600	1.2
173.05966	0.6
175.07556	20.5
176.07895	0.7
178.07797	1.5
179.08575	4.5
181.04967	0.6
181.06458	0.8
185.07083	0.9
185.15453	0.5
191.03415	1.1
191.10803	0.6
195.08078	1.4
196.08824	2.1
207.06380	0.7
207.08093	5.4
208.08833	0.7
209.06114	0.6
209.11603	0.6
210.10414	0.8
211.11259	0.7
213.06696	1.0
213.09048	0.6
219.08209	0.7
221.09618	1.7
223.07532	1.5
224.08284	3.6
225.09128	1.2
227.12910	0.6
234.06689	1.0
235.07553	13.3
236.07942	1.1
237.09117	0.8
238.09874	4.3
239.10670	6.9
240.11163	0.6
241.08607	1.2
244.22823	0.5
249.09093	3.7
250.09518	0.7
251.06958	1.0
252.07816	3.0
253.08591	1.0
253.12268	2.3
256.10834	0.6
266.09363	3.4
267.10190	11.5
268.10437	1.0
269.08121	1.7
271.13422	0.9
281.11743	18.2
282.12137	0.9
284.10428	1.6
299.12781	100.0
300.13104	6.2
319.18890	2.7
353.16089	0.6
354.60068	0.5
435.23734	0.7
496.18692	0.7
497.23660	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	496.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.3
57.03416	0.9
69.03439	5.7
70.17875	3.0
71.05019	0.7
75.51905	0.8
79.05486	2.4
81.03445	1.4
85.02904	12.2
85.72345	0.8
91.05477	2.1
93.03412	1.0
95.04964	1.4
97.02886	4.3
101.06007	0.9
103.05466	5.5
105.07027	8.3
107.04932	1.6
108.05779	1.0
109.06531	1.5
114.50388	0.8
115.05452	12.3
117.06986	1.2
121.06507	6.5
121.10893	0.9
123.04449	3.1
127.03899	1.4
131.04929	4.6
133.06483	7.3
135.04454	0.9
136.05214	4.9
137.05975	4.2
143.04901	4.2
145.04942	1.3
145.06480	1.2
146.07263	1.1
149.05989	10.7
151.07523	21.0
153.05472	1.0
155.07100	0.7
161.05975	46.9
162.06554	1.7
163.07576	1.5
164.08290	1.1
165.05498	7.1
172.73595	0.8
175.07556	2.1
177.09102	2.6
178.09843	1.6
179.07060	2.4
193.10110	1.3
195.07973	1.2
196.08749	1.0
206.07245	1.2
207.08217	1.0
209.09473	1.0
213.09090	1.5
221.09647	3.1
222.10414	1.5
223.07626	1.1
224.08301	0.8
225.09123	1.8
227.06966	1.0
235.07521	2.0
237.09048	1.5
238.09830	2.6
239.10634	2.4
240.11514	1.1
248.08360	0.9
249.09183	6.2
250.09909	2.4
251.07149	1.5
253.08630	1.0
253.12198	5.5
266.09323	2.4
267.10226	1.7
268.10913	4.7
270.08868	1.6
271.13251	1.4
281.11667	12.7
284.10370	4.0
287.12720	4.8
299.12756	100.0
300.13120	8.0
317.13843	31.0
318.14163	3.0
461.18298	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30709	0.5
53.03937	1.0
53.92498	0.5
55.01871	2.1
55.05502	0.8
57.03438	2.3
59.05001	3.2
61.02918	1.8
67.05490	1.1
69.03424	6.6
69.08440	4.2
71.04987	1.6
73.02908	0.6
79.05489	2.2
81.03426	3.8
81.07046	1.2
83.04981	0.9
85.02900	15.4
87.04441	0.7
91.03914	0.6
91.05477	7.5
92.15900	0.5
93.07047	2.1
93.68103	0.5
94.04179	1.1
95.04958	1.6
95.08587	0.8
97.02886	5.7
98.10439	0.5
98.22598	0.9
99.04467	1.0
103.05460	8.8
105.07029	4.2
107.04937	3.6
107.08604	1.0
109.02874	2.1
109.06506	2.5
109.10150	0.9
111.04425	1.1
115.05434	1.2
117.07040	2.9
119.04931	3.9
119.08583	3.5
121.02865	1.2
121.06499	1.7
122.03652	2.8
123.04424	8.9
124.17376	0.4
127.03097	0.5
127.03910	2.8
128.05327	0.8
128.06212	5.0
129.07001	26.7
130.07327	0.5
131.04926	7.3
132.05690	1.4
133.06473	4.2
135.04413	1.2
135.08064	1.2
137.05968	55.3
138.06285	1.1
143.04912	0.9
143.08549	1.1
145.04987	1.8
145.06480	3.7
147.04411	1.1
147.08043	5.5
148.05168	1.7
149.05986	6.3
151.03938	3.3
151.07533	13.4
151.08730	0.8
153.01830	0.7
153.05406	0.7
153.12704	0.6
155.06044	0.6
157.06477	24.3
158.06879	0.8
160.05186	2.5
161.05975	2.4
163.07538	8.9
164.08322	7.3
165.05489	1.3
165.09109	7.4
167.07051	3.0
171.08020	0.8
174.06784	0.6
175.07538	56.8
176.07849	2.6
177.05457	0.9
177.09079	0.6
178.07785	0.7
179.07047	4.2
181.05096	0.6
187.07544	0.8
189.09109	4.3
193.08609	7.5
193.10196	1.6
197.05817	0.5
199.07596	1.4
205.06657	0.6
206.07187	0.8
211.07515	1.0
213.09387	0.6
217.08675	0.8
221.06082	0.6
221.09642	4.5
224.08316	0.8
225.08994	0.7
227.07030	0.5
234.06935	0.7
238.09940	1.1
239.06989	0.6
239.10677	1.2
241.08603	0.9
249.09016	3.1
251.06985	0.9
253.12291	1.3
255.06464	0.6
266.09274	1.3
267.10233	2.5
269.08197	0.8
270.08865	1.7
271.09921	0.7
271.13263	0.9
281.11670	5.2
282.12085	0.6
284.10321	0.8
299.12762	52.9
300.13226	2.7
317.13818	100.0
318.14169	6.4
323.12671	0.6
341.13782	3.1
359.14966	1.3
365.13995	1.4
383.14899	1.1
425.15982	1.3
496.18637	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	496.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
54.95694	0.5
55.01869	2.3
55.05497	1.1
57.03424	1.8
59.04992	2.5
61.02913	1.7
67.05495	0.9
69.03419	5.2
69.07082	0.7
69.17638	3.8
69.18044	1.4
71.04995	1.3
79.05495	2.3
81.03397	2.2
81.07061	1.1
83.04993	0.7
85.02906	15.0
91.05477	8.1
93.07036	2.2
94.04154	0.7
95.04952	2.1
97.02887	4.6
99.04456	0.7
103.05472	9.4
105.07024	4.8
107.04960	3.6
109.02881	2.2
109.06532	1.5
115.05451	1.9
115.44352	0.7
117.07000	2.6
119.04952	3.2
119.08585	4.3
121.02879	0.8
121.06484	2.0
122.03638	3.3
123.04427	11.5
127.03908	2.6
128.06219	5.4
129.07005	27.6
129.07985	1.4
131.04906	8.4
132.05688	1.1
133.06488	3.9
134.50752	0.7
135.04430	1.7
135.08051	1.1
136.05161	0.7
137.05974	53.5
138.06320	2.0
143.04933	0.8
143.08568	0.7
145.05090	1.3
145.06470	4.5
147.04411	1.0
147.08044	6.3
148.05194	2.1
149.06004	5.6
151.03876	2.1
151.07552	13.7
153.05644	0.6
155.06139	0.9
157.06482	24.1
158.06952	0.7
160.05206	2.5
161.05942	1.9
163.07547	10.3
164.08344	5.3
165.05490	1.0
165.09128	7.0
167.07071	2.8
168.79472	0.6
171.08047	0.8
174.06795	0.8
175.07544	59.4
176.07921	1.8
177.09102	1.0
179.07054	5.0
179.08501	0.9
189.09099	4.8
193.08600	7.1
193.10184	1.8
195.08069	0.9
199.07556	1.0
203.08653	0.8
206.07195	1.1
211.07523	1.7
213.09073	0.7
221.09651	3.7
223.07513	1.2
234.06758	1.5
238.09920	1.3
239.10626	1.4
245.34937	0.7
249.09041	3.3
266.09308	1.3
267.10098	2.5
269.08182	0.9
270.08887	1.1
271.09634	1.0
281.11710	4.9
284.10370	0.7
293.58499	0.6
299.12766	49.1
300.13074	3.8
317.13824	100.0
318.14151	5.0
323.12589	1.3
341.13803	3.0
359.15161	0.8
365.13974	1.4
383.14801	1.0
425.15891	1.8
443.16901	1.0
496.18637	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	496.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.7
55.05508	1.0
55.10244	0.5
55.64389	0.5
57.03431	0.9
67.05502	1.5
69.03417	1.6
69.07050	1.3
71.04984	0.7
71.32430	0.6
77.40381	0.5
78.04675	0.5
79.05486	1.7
81.03424	1.3
81.07063	5.5
82.09173	0.5
83.04969	0.6
85.02918	3.5
85.06528	0.7
91.05478	5.3
93.07035	2.2
95.04978	0.7
95.08595	2.3
97.02884	0.9
97.06557	0.8
103.05440	0.7
104.06220	1.6
105.07078	2.5
107.00980	0.5
107.04945	1.1
107.08585	2.3
107.32220	0.5
109.02866	1.0
109.06525	2.4
109.10152	0.9
111.04452	0.7
115.05455	6.8
117.07014	4.2
119.08599	1.6
121.02902	0.5
121.06538	1.0
121.10131	2.2
122.03681	0.9
123.04436	1.9
123.08095	0.7
127.03895	1.1
131.04948	1.2
132.05696	2.4
133.06451	0.7
135.04381	1.2
135.11725	0.6
137.05980	13.3
137.13283	2.5
143.04976	0.8
145.04938	1.1
145.10132	1.3
147.08058	4.0
149.05951	1.4
149.09605	1.0
151.03917	16.1
151.07526	1.7
152.04233	0.8
159.11626	0.4
160.05215	4.9
161.05959	1.7
162.06769	0.6
163.03912	2.0
163.06145	0.5
163.07587	1.3
163.11211	1.5
165.05540	0.6
165.06871	0.8
165.09088	1.0
167.07069	1.0
167.14337	2.0
169.08600	1.2
173.05966	0.6
175.07556	20.5
176.07895	0.7
178.07797	1.5
179.08575	4.5
181.04967	0.6
181.06458	0.8
185.07083	0.9
185.15453	0.5
191.03415	1.1
191.10803	0.6
195.08078	1.4
196.08824	2.1
207.06380	0.7
207.08093	5.4
208.08833	0.7
209.06114	0.6
209.11603	0.6
210.10414	0.8
211.11259	0.7
213.06696	1.0
213.09048	0.6
219.08209	0.7
221.09618	1.7
223.07532	1.5
224.08284	3.6
225.09128	1.2
227.12910	0.6
234.06689	1.0
235.07553	13.3
236.07942	1.1
237.09117	0.8
238.09874	4.3
239.10670	6.9
240.11163	0.6
241.08607	1.2
244.22823	0.5
249.09093	3.7
250.09518	0.7
251.06958	1.0
252.07816	3.0
253.08591	1.0
253.12268	2.3
256.10834	0.6
266.09363	3.4
267.10190	11.5
268.10437	1.0
269.08121	1.7
271.13422	0.9
281.11743	18.2
282.12137	0.9
284.10428	1.6
299.12781	100.0
300.13104	6.2
319.18890	2.7
353.16089	0.6
354.60068	0.5
435.23734	0.7
496.18692	0.7
497.23660	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	496.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
55.01866	1.0
55.05519	0.5
56.78310	0.4
57.03170	0.4
57.03431	1.7
57.07064	0.4
59.05000	0.8
61.02923	3.8
64.06606	0.5
65.03912	0.7
67.05512	1.7
69.03427	7.5
69.07059	0.7
70.91694	0.5
70.92007	0.6
71.04984	1.2
73.02917	1.6
79.05490	6.6
81.03433	2.6
81.07055	100.0
82.07391	1.5
84.46463	0.4
85.02902	47.4
86.03255	0.5
87.04474	0.8
91.03939	2.5
93.40601	0.4
95.04977	0.5
95.08611	8.7
96.05361	0.4
97.02891	11.7
99.04465	1.4
99.08034	0.5
107.08624	0.5
109.02886	4.2
109.10186	1.0
127.03909	13.2
133.02850	0.9
135.04370	0.4
137.13252	29.4
138.13583	0.7
140.18579	0.5
145.04955	28.0
149.02374	1.1
150.21790	0.4
150.74323	0.4
151.04044	0.4
163.03931	12.7
163.06035	20.5
164.04292	0.5
164.06342	0.6
167.14345	1.8
173.94453	0.4
181.05003	0.4
197.11703	0.5
210.28043	0.5
265.57254	0.5
281.17282	0.5
289.09235	0.8
325.11310	4.1
496.18753	1.0
497.23383	1.7
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
53.03944	2.0
55.05509	2.8
57.03426	3.3
62.86120	1.7
63.42480	1.6
67.05495	3.2
69.03439	3.5
69.07045	3.1
70.06576	2.1
70.34401	5.5
71.04991	17.3
75.04464	1.7
79.05484	3.9
81.03424	12.4
81.07049	7.6
83.04973	4.8
83.08637	3.5
85.02907	27.3
91.05488	7.5
93.07038	7.9
95.04975	4.7
95.08614	1.9
97.02927	3.0
105.07065	4.0
107.04935	2.2
107.08591	3.8
109.10178	2.2
111.04459	2.6
111.08096	2.9
112.07526	1.8
119.08578	4.0
121.10165	2.7
123.04462	5.3
127.03934	3.0
129.05428	7.5
129.06995	3.2
131.04958	1.8
135.11682	5.1
137.05952	9.1
137.09647	2.2
139.03888	1.9
145.10101	2.2
147.06532	6.0
149.05998	1.8
150.12364	1.6
151.03993	1.7
153.12724	19.5
157.06406	3.0
157.10114	1.6
161.06015	2.4
165.05524	1.9
167.07027	31.6
175.07596	5.7
175.11200	3.6
191.03406	2.4
193.12215	8.0
211.13362	1.8
243.56761	2.2
267.15924	3.9
285.11166	2.3
285.16940	6.2
299.12552	2.6
317.08496	4.4
317.13953	6.9
497.16229	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.3
55.01871	11.9
55.05506	4.6
57.03424	6.5
65.03917	3.0
67.05495	12.7
69.03428	18.8
69.07064	13.2
70.34948	6.1
70.35316	5.2
71.04974	7.0
78.31579	2.5
79.05501	15.7
81.03419	30.9
81.07051	29.3
83.04978	5.1
85.02913	13.6
85.06542	10.8
91.05466	10.7
93.07044	28.5
94.07362	3.3
95.04963	4.1
95.08617	17.6
97.02889	8.3
97.06523	8.7
99.04453	12.1
102.85043	2.6
103.44035	2.9
105.07023	25.5
107.04947	4.4
107.08596	49.2
109.02869	24.1
109.06501	11.8
109.10171	4.0
110.63502	2.8
111.08060	4.2
113.05959	4.1
115.03900	3.0
117.06974	3.5
119.08556	11.0
119.92444	2.6
120.14640	2.8
121.06468	14.0
121.10142	27.7
123.04449	11.8
123.08069	8.7
125.05975	3.9
127.03921	23.4
131.08592	4.2
133.06514	3.2
135.08025	4.9
135.11700	12.8
136.07603	2.9
139.03888	11.1
145.04988	2.9
145.10110	26.5
147.11694	5.8
149.06007	3.9
149.09639	19.0
151.03899	8.6
151.07513	11.0
153.01875	8.8
154.02208	7.4
163.11183	63.2
165.09026	4.5
167.08566	16.0
167.10666	20.1
169.08607	76.5
170.08981	3.4
173.09596	6.5
175.07649	2.8
177.05453	5.1
181.12228	15.0
185.11742	4.3
191.10701	31.6
209.11737	31.6
227.12762	100.0
227.15001	5.6
228.13040	5.5
269.13803	5.8
289.14221	4.9
298.31058	3.0
317.13809	4.8
334.17181	3.1
335.14822	7.5
353.15967	39.4
371.17004	28.7
389.17990	3.4
392.13382	3.0
427.19272	3.3
497.23618	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	496.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.4
55.05513	6.2
56.01870	2.3
57.03434	13.1
59.04993	2.4
61.02910	2.0
65.03934	2.3
67.05512	3.6
69.03419	10.0
69.07060	9.3
70.06594	21.0
71.04993	67.4
71.31776	2.0
72.05339	3.1
73.02934	4.6
75.04482	7.0
79.05496	5.3
81.03446	5.5
81.07052	13.8
82.07405	2.0
82.09467	1.8
83.04983	12.8
83.08624	2.4
85.02905	100.0
86.03254	4.2
87.04485	2.6
91.05481	10.5
93.07044	20.1
95.04978	5.0
95.08614	8.4
97.02900	12.9
97.06494	5.0
99.04484	4.6
100.86029	2.4
105.07040	7.4
105.77779	2.5
107.04993	4.0
107.08598	16.9
108.08965	2.4
109.02893	6.4
109.06552	3.6
109.10143	4.1
109.24347	2.0
111.04459	7.5
111.08089	2.5
117.07074	2.3
119.08612	6.1
121.06552	2.0
121.10159	6.4
123.04433	3.2
123.11708	2.2
127.03927	7.6
129.05478	33.1
131.08624	3.1
133.10109	4.2
135.11688	20.2
137.05960	2.7
137.09636	2.2
145.04993	8.9
147.06535	21.3
147.08101	2.5
147.11699	4.2
149.09624	2.9
151.03931	4.8
151.07610	2.1
151.11186	3.5
153.01846	2.3
153.12735	65.4
154.13098	8.1
155.14392	2.3
157.10121	2.5
163.03870	2.2
165.05405	2.4
165.07712	2.3
167.07091	3.3
167.10695	3.2
175.07440	2.0
175.11195	3.1
177.05501	3.2
178.05003	4.4
205.45093	1.9
206.04515	6.5
212.11198	2.8
219.13745	2.1
243.13603	2.2
273.09860	2.1
281.17490	4.5
299.18552	3.7
309.11710	3.5
315.18134	4.0
478.20691	4.5
496.21466	9.1
497.15338	3.7
497.20648	4.1
518.32532	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.7
55.01867	12.3
55.05505	7.3
57.03424	4.8
67.05482	8.1
69.03421	15.1
69.07075	14.5
71.04982	7.2
71.68466	2.7
79.05488	15.4
81.03411	24.2
81.07058	26.7
83.04937	2.7
85.02913	12.9
85.06527	7.2
91.05493	14.5
93.07049	36.2
95.04950	9.1
95.08604	16.3
97.02891	8.1
97.06516	9.9
97.07752	2.5
98.23425	4.0
99.04485	14.4
103.89133	2.7
105.07023	27.0
106.07337	2.6
107.04911	6.4
107.08588	46.8
109.02885	21.6
109.06508	11.3
109.10158	6.3
111.04448	3.3
111.08056	8.4
113.05981	5.8
119.08585	8.3
121.06490	11.7
121.10124	28.0
123.04419	11.3
123.08051	7.8
125.70473	2.5
127.03899	21.1
130.07750	2.6
131.08562	4.3
133.10115	6.2
135.08043	7.4
135.11699	10.0
137.05931	5.1
137.09595	2.7
139.03896	5.1
139.11145	4.1
141.05521	2.7
143.08507	3.3
145.10104	28.7
147.04297	2.6
147.11653	7.3
149.06033	4.0
149.09596	12.6
151.03909	8.3
151.07521	10.1
152.04247	3.0
153.01826	13.1
153.12810	3.1
154.02162	4.6
161.41530	2.4
163.07553	3.3
163.11183	61.8
164.11493	4.4
165.06975	5.7
165.09077	8.5
167.07248	3.9
167.08563	19.5
167.10681	21.6
169.08600	73.6
177.05453	6.4
181.12202	14.6
185.11768	5.1
191.10651	25.4
197.13538	2.7
209.11693	44.7
221.76120	2.9
227.12761	100.0
227.15038	4.9
255.12296	4.7
269.13666	6.2
269.18213	2.6
271.13705	2.5
277.10757	4.4
278.60117	2.9
289.14325	3.4
293.13812	4.0
299.12363	6.3
309.16940	3.0
317.13477	5.1
335.14832	4.2
353.15921	32.2
370.12964	2.8
371.17001	29.3
378.33929	2.8
427.19443	3.7
497.23099	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	496.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59142	0.3
51.02381	0.4
53.03950	0.8
54.26851	0.5
55.01872	2.3
55.05510	4.2
56.13428	0.4
57.03431	0.9
57.07070	1.9
58.06599	1.3
59.07388	0.5
60.08162	16.7
64.51389	0.4
64.73298	0.3
65.03914	0.4
67.04244	1.0
67.05499	6.7
68.05031	3.2
69.03432	2.0
69.05810	3.7
69.07063	3.4
70.65044	0.8
71.04996	0.9
71.08620	1.1
79.05487	5.2
81.03422	2.4
81.07048	7.1
82.05295	0.6
82.07377	0.5
83.04982	1.6
83.08616	2.0
85.02893	1.4
85.06516	0.9
85.10170	2.9
86.00666	0.8
91.05476	7.3
92.05814	0.7
93.07035	6.0
94.05303	0.7
95.04981	2.4
95.08594	7.5
97.02873	0.7
97.06526	1.5
97.10152	0.8
99.01415	2.2
99.08107	0.5
100.02193	3.3
105.03383	4.0
105.07021	4.5
106.03726	1.7
107.04950	0.7
107.08595	3.3
108.06806	0.4
109.02886	0.6
109.06502	1.2
109.10143	2.3
111.04466	0.6
111.08070	1.7
113.10740	0.7
114.02459	0.5
117.07025	1.2
119.08567	5.1
121.06495	1.2
121.10103	2.4
123.04440	4.2
123.08086	0.6
123.11696	0.6
124.04698	0.5
125.01695	1.7
125.09603	0.6
126.01542	0.8
126.02476	15.5
127.03255	46.2
128.03580	0.9
129.04884	0.5
129.06995	0.5
131.08554	1.5
133.06522	0.5
133.10117	4.5
135.08078	0.7
135.11702	1.6
137.06004	0.8
137.09601	3.6
138.82805	0.4
139.39441	0.4
143.02730	1.0
143.08615	0.8
145.04295	43.1
145.10130	0.6
146.04669	0.6
147.07990	0.5
147.11688	1.9
148.12022	0.4
149.05959	0.7
149.09598	1.0
149.13347	0.5
151.07545	0.7
151.11186	2.0
153.09084	0.4
153.12767	0.7
157.06696	1.2
157.10170	0.5
159.11752	0.5
161.05984	0.7
161.13315	0.7
163.11211	0.5
165.09096	0.6
165.12758	2.3
170.07512	0.7
171.02238	1.0
171.11749	0.7
175.11205	0.5
177.09134	0.7
177.13860	0.6
179.03493	0.4
179.07040	2.8
179.10683	1.2
180.07370	1.8
181.07616	1.5
184.07622	0.6
184.09000	2.4
185.09811	28.2
186.10555	4.0
189.09262	0.7
193.08565	0.5
193.12291	0.7
195.10144	1.7
203.17989	0.6
209.11118	0.6
211.12914	0.6
220.77420	0.4
221.18939	4.8
230.09531	0.5
249.18562	1.3
267.19672	0.9
281.13235	2.2
287.12778	0.8
299.12799	1.0
393.22021	7.2
437.21103	0.9
452.29385	100.0
453.29669	9.3
479.26373	0.5
496.28476	5.6
497.23160	1.4
497.28802	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08828	0.2
55.05490	0.5
56.05021	0.5
57.03428	0.4
57.07076	1.2
58.06590	0.7
60.07870	0.4
60.08161	6.0
67.05505	1.0
67.71008	0.2
69.07040	0.6
69.24400	1.5
71.07374	3.0
71.08612	0.4
79.05488	0.5
81.07059	1.2
83.08611	0.6
85.10208	0.3
86.09705	31.8
87.10033	0.6
91.05473	0.6
93.07037	0.7
95.08606	1.4
97.10163	0.4
98.28391	0.2
98.98460	3.1
102.40039	0.2
104.10736	3.1
105.07042	0.3
107.08607	0.7
109.10146	0.5
118.64700	0.2
119.08562	0.5
121.10177	0.4
124.99999	20.7
135.11714	0.3
143.01094	0.4
145.10185	0.2
147.11760	0.3
159.11823	0.2
173.13266	0.2
184.07335	100.0
185.07700	1.5
236.15108	0.8
299.42197	0.2
313.27744	0.5
332.68524	0.2
451.28738	0.2
478.33109	1.1
479.31827	0.5
496.35324	11.3
497.19650	3.2
497.33197	2.3
497.36151	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	496.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	0.3
56.05037	1.8
57.07073	2.7
57.74450	0.3
58.06597	1.4
60.08160	17.4
62.49995	0.3
67.05515	0.8
69.07056	0.6
71.07366	7.5
71.08622	2.3
81.07041	0.6
82.50449	0.3
83.08631	0.6
85.10173	0.7
85.67593	0.3
86.09699	49.7
87.10027	0.5
95.08602	1.1
97.63998	0.4
98.98466	4.4
104.10735	98.2
105.11038	1.5
109.10163	0.8
124.99993	29.3
163.01563	0.6
165.57838	0.3
183.86243	0.3
184.07327	100.0
185.07626	1.7
227.81845	0.3
258.10965	1.0
313.27368	1.9
381.03018	0.4
478.32919	6.7
479.33060	0.6
496.33957	20.1
497.34830	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.363
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12466	0.5
53.03901	1.2
55.01827	0.7
55.05453	3.4
55.07519	0.6
57.03382	5.7
58.06540	37.4
58.06857	2.6
58.07000	1.6
59.07325	9.6
60.08106	11.1
60.08435	0.8
60.44762	0.5
67.05499	9.1
69.07052	3.4
69.27171	0.4
69.27477	4.1
73.02861	0.9
73.90240	0.5
75.04480	3.3
79.05495	7.0
81.07041	7.7
82.70413	0.7
83.04937	0.8
83.08561	0.9
84.08102	0.8
85.02844	2.3
85.03346	0.6
85.06479	0.6
87.04465	4.0
91.05483	3.2
93.07040	7.3
95.04887	0.8
95.08598	6.3
97.06476	0.7
103.03861	0.6
105.05455	0.8
105.07018	2.7
107.08576	3.8
109.10087	2.4
110.61693	0.5
113.05942	0.9
119.08569	3.5
121.10143	2.8
131.06961	1.8
131.08524	1.1
133.10056	2.2
135.11630	1.1
144.10173	7.2
145.10072	1.3
147.11665	1.1
154.54587	0.6
159.06462	0.8
159.11662	1.1
162.11200	1.7
168.54019	0.5
173.13235	0.9
174.67688	0.6
175.14836	0.6
187.14787	1.5
189.16272	1.4
191.18004	0.7
200.12846	0.7
201.16353	0.6
202.51443	0.5
218.13979	0.5
226.42204	0.5
226.72046	0.5
236.14905	80.9
237.15105	1.7
240.63150	0.6
447.99176	0.6
452.35977	1.3
478.35242	24.7
479.35818	1.6
496.36270	100.0
497.37329	13.6
519.92914	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01821	0.8
55.05444	1.5
57.03367	6.3
57.03667	0.8
57.07028	0.3
58.06529	28.2
58.06851	3.2
58.07004	1.1
59.04951	0.4
59.06878	0.4
59.07314	9.4
59.07643	1.2
60.08091	8.3
60.08425	0.9
65.03898	0.4
67.05427	4.8
69.06995	1.7
73.02842	1.1
75.04477	4.0
79.05492	3.9
81.07057	4.5
82.70384	0.3
83.04936	0.5
83.08592	0.6
84.08088	0.5
85.02912	2.3
87.04463	4.9
91.05463	2.0
93.07047	4.1
95.04900	0.6
95.08613	2.4
97.06374	0.3
97.10081	0.6
100.11192	0.3
101.05942	0.4
103.03895	0.7
105.05435	1.0
105.06940	1.3
107.08601	1.8
109.06470	0.3
109.10176	1.5
111.08073	0.3
113.05972	0.4
113.98576	0.4
117.06974	0.6
119.08556	0.6
121.10076	1.2
123.11600	0.4
130.08620	0.4
131.07043	2.3
133.10083	1.0
135.11601	0.5
144.10199	6.8
145.09944	0.3
156.47224	0.3
159.06509	0.3
159.11569	0.4
160.35872	0.3
162.10103	0.3
162.11255	4.0
173.03148	0.3
181.24907	0.4
200.12817	0.5
205.51608	0.3
218.13852	1.0
236.14915	100.0
237.15204	2.6
434.36450	0.5
478.35281	23.1
479.35577	2.0
496.36334	67.8
497.21140	0.7
497.31171	1.5
497.37811	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	497.1628
Annotation	Tetracentronside A
Peak:m/z	Relative Intensity
53.03949	0.3
55.05508	0.6
57.03431	0.6
66.94904	0.4
67.05506	0.8
69.03429	0.8
71.04996	2.4
71.32281	0.4
78.04715	0.5
79.05494	1.2
81.03415	1.2
81.07060	1.0
83.04963	0.6
84.57716	0.4
85.02914	2.5
86.03247	0.4
91.05473	1.4
93.07039	1.5
95.04961	0.7
95.08609	0.8
97.02856	0.7
97.06523	0.6
99.04456	0.5
103.05495	0.5
105.07035	1.1
106.04163	0.4
107.04936	0.7
107.08581	1.4
109.02914	0.3
109.10194	0.5
110.06069	0.5
111.08063	0.6
119.08570	0.4
121.02886	1.1
121.06447	0.4
121.10153	0.7
123.04435	2.8
127.03770	1.0
129.05467	0.6
133.06496	0.6
135.04408	0.6
135.11668	0.4
137.06007	1.9
137.09654	0.4
139.03889	0.7
145.04994	0.4
147.04410	0.6
149.06004	1.1
151.03911	1.0
152.04672	0.6
153.01880	0.5
153.05588	0.4
153.12683	1.9
154.13060	0.6
161.05988	1.2
163.03938	0.7
165.05585	0.4
165.09163	0.5
167.07036	32.5
168.07465	0.7
169.04756	0.5
175.03860	0.4
177.05449	0.6
181.08597	0.7
184.64970	0.4
191.03410	0.8
193.08545	1.7
193.12169	0.5
202.06090	0.6
203.06876	0.8
209.08049	0.5
211.09578	1.8
224.34100	0.4
229.06816	0.5
241.10809	0.4
267.12436	0.5
268.83069	0.3
285.13391	0.5
309.15164	0.4
317.08380	4.1
360.89749	0.4
365.12057	1.1
497.16211	100.0
498.16666	6.9
498.23029	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.165
Annotation	Tetracentronside A
Peak:m/z	Relative Intensity
51.84869	0.6
53.03944	1.3
55.01871	0.8
65.03931	3.4
67.05489	2.6
69.03423	2.1
78.36430	0.5
79.05523	0.6
80.02606	0.6
81.03406	5.2
81.07028	0.7
85.02886	1.9
91.05500	0.9
93.03384	3.3
93.07017	0.5
95.04961	1.9
95.08611	0.5
97.02882	2.6
98.22563	1.6
99.04479	0.8
104.50658	0.6
105.06988	0.6
107.04972	0.6
108.02098	2.3
109.02869	2.1
111.04448	4.4
119.04970	0.7
123.04402	2.7
125.05994	4.1
127.03924	1.2
135.04424	1.1
137.05951	4.6
139.03947	1.0
141.05467	2.8
143.04883	0.6
145.05029	0.7
147.04390	1.4
151.03903	100.0
151.04985	7.2
152.04251	3.3
153.00702	0.5
153.01788	3.1
153.05449	2.6
154.06216	0.9
161.06035	1.0
163.03914	1.0
167.07040	1.5
167.14401	0.8
169.04941	9.0
169.06267	0.9
181.04950	1.4
185.08105	5.1
191.03375	4.8
193.05035	0.6
207.06471	0.9
253.06976	0.9
275.09180	2.3
295.08112	7.4
313.09283	1.9
343.08261	1.4
347.27438	0.6
385.44373	0.6
463.81619	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.0
55.01867	0.6
55.05508	0.5
55.49432	0.4
57.03434	1.2
61.02924	0.9
62.63091	0.4
65.03939	1.2
66.80646	0.4
67.05501	1.7
69.03435	2.8
69.07068	44.2
70.07388	0.9
71.31895	0.5
71.32287	0.8
71.81490	0.5
78.04705	1.1
79.04237	0.4
79.05499	2.4
80.05005	0.6
81.03419	2.2
81.07053	3.2
85.02902	7.0
91.05473	1.1
92.04993	0.8
93.05776	0.7
93.07040	1.5
94.06551	1.7
95.04953	1.4
96.08101	0.6
97.02879	2.7
97.06534	7.2
103.05445	1.1
105.07026	1.6
106.04183	1.0
107.04984	2.3
109.02885	1.1
109.06532	1.2
111.08085	0.5
119.04975	0.6
120.04471	0.6
121.05247	0.7
121.06523	1.3
122.06028	4.6
123.04423	5.2
123.74496	0.5
124.05244	0.7
124.07608	1.2
125.05988	2.1
127.03939	1.1
133.06474	2.1
135.04517	0.7
137.05972	2.6
138.05516	3.4
140.07056	4.5
142.13547	0.5
144.08092	0.6
145.04993	0.7
145.08867	1.2
145.10056	0.7
146.09631	2.0
147.06839	0.5
148.03925	1.0
149.05946	2.2
150.05499	55.5
151.03920	1.1
151.05827	1.3
152.03496	0.7
152.04694	1.7
153.05489	1.0
154.08624	0.5
157.08864	1.1
157.10150	0.6
159.10408	0.9
160.07523	0.5
161.05988	1.5
161.08369	3.2
162.09106	2.7
165.05461	0.7
165.09088	0.6
166.04991	12.7
166.06367	0.8
167.07037	100.0
168.07552	2.4
172.07590	1.0
172.11208	2.5
173.08386	1.3
174.09131	1.0
174.12766	4.1
176.03453	3.9
178.04977	1.3
179.07028	0.8
181.04881	0.6
181.08592	1.6
182.09593	0.6
185.08319	0.5
186.07549	1.1
188.10750	0.8
190.12273	5.0
191.03395	1.7
192.02927	1.3
193.08600	5.0
194.04459	1.0
198.09288	0.7
198.15054	0.5
200.07057	0.8
200.10739	4.8
202.12280	5.3
204.10260	0.7
209.08089	1.9
210.14932	0.6
211.09648	5.0
213.10204	0.6
216.10210	2.7
218.08267	1.1
218.11760	15.6
219.12080	0.8
226.08748	0.7
227.11772	0.7
228.10217	9.8
229.13326	1.1
234.11304	2.4
241.10669	0.8
243.11282	1.0
244.09654	1.6
245.12749	1.2
246.11246	14.7
246.13812	0.8
247.11804	0.6
256.09634	1.3
257.09213	1.3
261.08597	1.0
261.12354	1.1
262.10748	0.8
267.12299	1.8
271.10754	3.7
272.09171	2.2
273.12292	2.0
274.10730	2.1
285.13300	1.2
287.10239	6.3
289.11752	7.1
290.10175	1.2
299.10165	5.6
317.11298	25.2
318.12006	0.7
335.12357	95.2
336.12662	5.9
497.17883	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	497.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89205	0.9
57.59432	0.9
61.78073	0.9
64.64084	0.8
67.05479	1.6
69.07077	1.1
70.47786	2.3
74.06082	1.4
79.05510	1.3
81.07059	1.6
91.05445	1.1
93.07024	2.1
95.08601	1.4
96.20108	0.8
98.22662	1.0
105.07026	2.1
105.14188	0.9
107.08605	1.0
109.10181	1.2
111.08495	0.9
119.08610	1.7
121.06521	1.3
131.08583	1.5
135.08086	0.9
135.11800	0.9
145.06390	1.1
145.10124	2.4
159.11780	0.9
175.14819	1.1
179.72444	1.1
180.00665	0.9
190.74890	1.1
195.11739	0.9
223.04558	0.8
230.05400	1.1
231.06320	1.5
311.09952	0.9
335.12628	2.4
365.20831	1.1
497.17810	100.0
497.27432	8.1
498.18253	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	497.1779
Annotation	Steganangin
Peak:m/z	Relative Intensity
54.89205	0.9
57.59432	0.9
61.78073	0.9
64.64084	0.8
67.05479	1.6
69.07077	1.1
70.47786	2.3
74.06082	1.4
79.05510	1.3
81.07059	1.6
91.05445	1.1
93.07024	2.1
95.08601	1.4
96.20108	0.8
98.22662	1.0
105.07026	2.1
105.14188	0.9
107.08605	1.0
109.10181	1.2
111.08495	0.9
119.08610	1.7
121.06521	1.3
131.08583	1.5
135.08086	0.9
135.11800	0.9
145.06390	1.1
145.10124	2.4
159.11780	0.9
175.14819	1.1
179.72444	1.1
180.00665	0.9
190.74890	1.1
195.11739	0.9
223.04558	0.8
230.05400	1.1
231.06320	1.5
311.09952	0.9
335.12628	2.4
365.20831	1.1
497.17810	100.0
497.27432	8.1
498.18253	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	497.31
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.9
55.01863	7.7
55.05507	26.7
57.03433	27.2
58.06601	15.5
59.07365	5.0
60.08154	7.3
61.02922	58.5
65.03928	7.3
67.05499	88.4
68.05821	4.1
69.03423	43.9
69.07069	24.9
69.12150	2.2
69.32075	11.3
69.32497	3.3
69.36343	2.0
71.01339	5.2
71.04975	8.2
71.08630	2.2
73.02911	29.6
75.04463	3.4
75.64455	1.9
79.05490	63.9
81.03421	25.5
81.07051	100.0
82.07391	2.3
83.04972	10.4
83.08620	11.3
85.02905	56.5
85.06546	3.9
87.04451	7.6
91.03439	2.9
91.03954	34.5
91.05479	40.3
93.07040	62.2
94.07353	2.8
95.04955	8.7
95.08598	79.3
97.02887	48.3
97.06528	4.8
97.10158	7.9
98.23338	3.7
99.04441	8.5
101.02354	11.3
103.03938	10.6
105.07011	38.7
107.08583	37.0
109.02866	9.0
109.06500	4.4
109.10146	33.0
111.04400	4.9
111.08081	6.0
115.03945	3.5
117.05489	3.0
117.07014	15.3
119.08576	26.5
121.06549	4.4
121.10133	35.8
123.08047	6.3
123.11692	14.1
125.09625	4.6
127.03893	16.5
128.06195	2.6
129.05450	8.5
129.06981	4.4
131.08566	21.7
133.06429	2.6
133.10115	24.9
135.08025	4.3
135.11661	22.1
137.05952	4.9
137.09596	2.3
137.13206	3.6
141.05547	2.5
143.08543	5.4
144.10220	3.1
145.04948	6.4
145.10103	19.8
147.07956	4.4
147.11649	15.5
149.09651	5.3
149.13257	14.6
151.11160	3.4
155.08603	3.1
157.10088	4.6
159.08066	3.3
159.11664	14.4
161.09619	4.5
161.13254	10.3
163.11188	2.7
163.14795	5.4
165.12766	3.3
169.10060	3.7
171.08221	2.3
171.11667	9.2
173.13295	10.6
175.14766	4.7
177.12730	2.5
183.06522	3.3
183.11652	2.5
185.13210	4.6
187.11122	3.3
187.14798	6.9
195.11656	2.6
197.13165	3.0
199.14760	4.1
201.07695	2.9
201.12822	2.9
211.11160	2.2
236.14905	41.5
237.15186	24.6
241.19531	2.2
243.21117	6.6
259.20609	3.5
261.22125	19.0
279.23166	3.3
335.25763	52.1
336.26047	4.6
345.23941	2.3
351.23184	3.7
363.25226	3.3
369.24228	5.3
387.25290	2.6
405.26804	2.6
435.32373	2.3
443.27649	3.8
472.74487	2.3
479.30283	7.1
479.36609	9.9
497.30743	33.1
497.36017	74.1
498.31555	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	497.3234
Annotation	Secaubryolide
Peak:m/z	Relative Intensity
55.05507	1.2
62.87739	0.4
67.05494	2.0
69.07053	1.2
70.23022	0.8
70.23398	0.9
71.05000	0.5
79.05476	1.6
81.07046	1.5
83.08620	0.8
91.05460	1.5
92.08369	0.4
93.07030	2.8
95.08601	2.5
97.06528	0.7
97.10137	0.7
105.07014	1.5
107.04921	0.6
107.08572	1.6
109.06507	0.5
109.10121	1.1
119.08556	1.7
121.10114	1.5
123.11738	0.5
125.64550	0.4
131.08595	0.9
133.10098	0.8
135.08089	0.7
135.11729	1.0
137.09587	0.7
145.10118	1.0
149.09644	0.4
157.10103	0.4
159.11726	0.5
163.11191	0.6
169.10008	0.5
172.28888	0.5
187.14920	0.5
195.00273	0.6
211.23888	0.5
227.12697	0.6
245.14021	0.5
340.38358	0.5
376.04108	0.4
451.28339	0.7
455.21680	0.7
479.31186	1.5
497.32370	100.0
498.31778	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	497.3448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.3
56.73489	0.3
67.05507	0.7
69.07061	0.5
71.31482	0.3
79.05492	0.6
81.07050	0.8
83.04985	0.4
91.05486	0.6
92.71095	0.2
93.07056	0.7
95.08615	0.9
97.06457	0.3
105.07050	1.1
107.08611	0.7
109.06556	0.3
109.10153	0.5
109.12668	0.2
119.08591	0.7
121.10121	0.3
125.09669	0.3
131.08609	0.5
133.10139	0.4
145.10063	0.4
147.11650	0.3
151.07576	0.3
157.10210	0.4
159.11752	0.4
173.13254	0.3
177.16437	0.2
224.13692	0.3
233.19847	0.3
240.14545	0.2
305.17316	0.3
337.22186	0.5
355.23212	0.5
357.17075	0.3
432.05872	0.3
451.28461	0.3
475.97888	0.2
497.34491	100.0
498.34845	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	497.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.3
57.03437	0.3
58.06597	2.6
59.07364	0.6
60.08141	1.0
67.05493	0.9
69.07064	0.3
69.63328	0.2
69.65599	1.0
75.04471	0.2
78.69649	0.2
79.05458	0.3
81.07056	1.1
86.09699	0.3
87.04453	0.3
91.05438	0.3
93.07034	0.4
95.08598	0.6
98.23297	0.3
104.10734	0.6
107.08639	0.5
108.66803	0.2
109.10166	0.6
119.08601	0.3
121.10123	0.4
133.10126	0.2
144.10161	0.5
184.07452	0.3
236.14912	5.6
362.88690	0.2
480.36786	1.5
497.35971	100.0
498.36804	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	497.3602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.3
55.05510	1.4
56.76307	0.2
57.07092	0.4
66.01604	0.3
67.05496	1.7
69.07078	1.4
69.22482	2.4
71.05006	0.3
79.05502	1.3
81.07054	3.6
83.04979	0.4
83.08621	1.1
90.00606	0.3
91.05482	0.7
93.07050	1.2
95.08600	1.9
97.10177	1.1
98.23300	0.7
105.07037	0.9
107.08607	1.1
109.06538	0.4
109.10152	0.8
119.08589	1.0
121.10168	1.2
125.09641	1.1
129.07191	0.3
131.08565	0.7
133.10149	1.0
135.08087	0.4
135.11671	0.7
136.30484	0.3
137.13248	0.3
144.08946	0.3
145.10129	0.5
145.22543	0.3
147.11705	0.6
149.09677	0.3
149.13268	0.3
155.08627	0.4
157.10089	0.3
159.11732	0.5
161.13329	0.5
169.10181	0.4
171.11708	0.4
175.14841	0.6
187.14854	0.5
189.11258	1.0
195.11662	0.3
201.16325	0.3
236.14905	0.5
274.46463	0.3
301.18784	0.4
419.29691	0.4
437.30533	1.0
443.35117	0.6
461.36429	0.8
497.36102	100.0
498.36520	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	497.3608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.8
67.05487	2.3
69.07066	1.4
79.05505	1.0
81.07060	2.4
81.91788	0.4
83.08631	0.5
85.55646	0.5
91.05504	1.7
93.07057	1.6
95.08620	2.6
97.10168	1.0
103.27872	0.4
105.07060	2.0
107.08593	2.2
109.10174	1.4
113.96542	0.5
119.08575	2.2
121.10160	2.3
123.11726	0.8
128.72278	0.5
131.08588	0.8
133.10161	1.3
135.11699	0.9
145.10146	1.1
145.39441	0.5
147.11728	1.5
149.06003	0.5
149.13297	0.9
159.11807	1.0
161.13269	0.8
163.14786	0.5
171.11722	0.6
173.13316	0.7
175.14948	0.7
187.14998	0.7
189.16447	1.2
191.18138	0.5
201.16310	0.6
203.18054	1.1
215.18048	0.6
219.13850	0.7
437.30490	0.6
479.35629	0.9
497.36179	100.0
498.36627	9.2
503.07944	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3603
Annotation	Oncostemonol G
Peak:m/z	Relative Intensity
53.03941	0.3
55.05507	1.2
57.02508	0.3
57.03432	0.4
67.05510	3.8
69.03425	0.7
69.07058	2.0
69.20670	0.9
69.21072	2.4
71.04991	0.5
72.19674	0.3
79.05497	3.0
81.07059	4.2
83.04970	0.5
83.08605	1.3
85.06526	0.3
91.05505	2.2
93.07048	2.7
95.04964	0.4
95.08608	4.5
97.02909	0.5
97.06538	0.7
97.10149	0.9
105.07024	2.5
107.04899	0.5
107.08575	2.2
109.06519	0.7
109.10152	1.8
111.08049	0.6
117.07037	0.9
119.08594	2.5
121.10154	2.8
123.08068	0.8
123.11684	0.6
123.90272	0.3
125.09641	0.8
129.07002	0.4
131.08577	1.1
133.10139	1.5
135.08066	0.6
135.11734	1.6
137.09639	0.7
139.11183	0.7
143.08487	0.4
145.10074	1.8
147.08014	0.8
147.11703	1.3
149.09608	0.7
149.13252	0.4
153.09134	0.4
155.08612	0.5
155.10611	0.4
157.10228	0.7
159.11682	1.2
161.09607	0.4
161.13219	0.6
163.11201	1.4
163.14861	0.5
171.11690	1.1
173.09602	0.4
173.13309	1.0
175.14813	0.8
181.09985	0.4
183.11681	0.4
187.10933	0.4
187.14877	0.6
197.13300	0.4
209.11731	0.4
227.12692	0.7
243.21027	0.4
245.13795	0.8
279.23172	0.4
335.26080	0.6
433.27640	0.5
443.31671	0.5
451.28305	0.7
479.30869	1.3
480.31253	0.5
497.36417	100.0
498.29987	0.9
498.36639	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	497.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.6
55.05503	16.7
57.07061	10.7
60.05997	2.8
67.05501	26.7
69.07058	21.1
69.25521	25.4
79.05484	18.6
81.07056	43.8
83.08609	9.3
86.13486	2.9
89.06025	12.2
91.05477	26.4
93.07050	50.5
95.08014	6.3
95.08604	91.6
97.10168	7.0
105.07032	60.5
107.08598	82.5
109.10171	35.6
111.08070	5.4
117.07009	8.9
119.08577	100.0
121.10144	57.6
123.11692	14.4
131.08559	23.0
133.08595	7.8
133.10127	70.5
135.11691	45.8
137.09624	5.3
137.13234	8.9
143.08568	9.7
145.10138	44.5
145.22539	3.1
147.08011	3.8
147.11688	46.1
149.09679	3.9
149.13252	29.6
150.97182	3.7
151.07578	3.8
153.09113	5.9
157.10144	8.7
159.11671	48.3
161.13234	32.0
163.07573	6.7
163.14838	24.0
171.11681	13.1
173.13275	30.1
175.14801	22.5
177.09122	13.4
177.16444	15.4
183.11760	3.5
185.13217	9.1
187.14859	17.3
189.16374	63.4
191.18066	15.1
199.14857	11.4
201.16380	57.2
202.16795	3.9
203.17943	60.2
204.18243	3.7
213.16409	6.0
215.14348	4.4
215.17947	20.7
217.19460	6.1
221.15271	3.9
229.15897	8.5
229.19545	25.9
231.21025	5.8
233.15459	6.5
235.16872	5.6
241.19470	8.7
243.21054	12.4
247.16916	47.8
249.18442	3.3
253.19566	3.8
255.21034	10.3
261.18423	4.8
269.22745	3.9
275.20340	4.5
287.20007	10.2
295.24292	5.9
301.21729	11.3
303.23141	5.0
315.22986	6.1
331.73978	4.3
391.33517	14.9
437.34204	54.9
438.34518	6.2
451.35730	22.0
497.34689	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	498.197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.3
57.03439	2.0
61.02933	2.4
65.03946	1.1
65.99879	1.1
69.03426	7.1
70.73994	2.6
71.05000	1.8
81.03436	1.6
83.05043	1.2
85.02913	13.9
97.02902	5.2
103.05464	1.3
107.04961	1.4
109.02877	1.8
121.06477	1.9
122.03709	1.7
123.04465	1.7
127.03944	3.5
131.04929	1.9
133.22049	1.4
135.04425	4.3
137.05975	53.7
137.10686	1.1
143.09187	1.2
145.04959	2.7
146.03767	1.4
147.04398	3.3
149.06010	4.8
152.06158	6.2
153.07010	2.1
154.07806	1.6
155.08569	2.5
159.04498	2.0
161.06030	3.6
165.05617	2.8
165.06964	14.6
166.07726	2.2
167.08548	13.6
176.06265	1.5
177.05565	2.9
177.06955	11.3
178.04964	2.6
178.07594	1.7
179.08615	2.9
181.06511	4.5
182.07329	1.6
183.08080	3.5
193.06503	8.5
194.07268	2.2
195.08067	14.4
197.06059	1.4
197.09720	1.4
205.06487	10.7
206.04510	3.3
208.05235	3.2
210.06725	6.6
211.07559	7.9
213.68625	1.3
221.05983	12.1
222.06723	3.7
223.07570	23.2
225.09070	6.3
233.06010	2.1
238.06358	2.9
239.07011	9.2
240.07495	1.5
251.07040	97.4
252.07405	5.1
253.08575	13.0
256.07312	1.9
268.07306	1.6
271.09656	72.8
272.10049	4.0
283.09659	100.0
284.09995	5.1
285.11099	2.1
289.10562	9.1
301.10718	13.5
302.11121	1.6
319.11795	1.7
373.00156	1.4
445.14954	3.3
463.15967	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	498.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.4
55.01879	2.3
57.03428	1.6
59.04976	1.0
61.02914	2.0
63.60368	1.1
65.03929	1.7
67.05497	1.8
69.03430	6.4
69.28163	8.0
70.06586	1.3
70.72819	0.9
71.04987	2.5
73.02895	1.8
74.58553	0.9
75.93952	0.9
79.05511	2.1
81.03410	3.0
81.07060	2.2
85.02906	16.2
87.04479	1.3
91.03950	1.5
91.05489	1.8
93.07027	1.4
95.04964	1.3
97.02927	5.8
103.05437	1.5
107.04942	2.5
107.08604	2.2
109.02885	3.0
109.06533	1.2
121.02851	1.3
121.10126	1.8
122.03633	2.8
123.04459	4.8
123.11719	3.7
127.03912	4.7
130.79860	1.1
131.04910	1.2
135.04411	4.1
137.05974	49.5
138.06335	1.0
145.04967	2.6
145.06485	1.1
147.04417	4.6
147.90857	1.1
149.05986	4.0
150.05498	2.1
151.11191	1.2
152.06177	7.1
153.01826	2.3
153.05513	2.0
153.06964	3.0
155.08536	2.7
159.04393	1.5
161.06004	3.8
163.03906	1.6
165.05627	1.7
165.06993	13.3
166.07722	1.7
167.07156	2.1
167.08560	10.7
167.68726	1.0
169.06458	1.8
169.12248	1.5
176.06203	2.4
177.05576	2.5
177.06943	9.1
179.08711	1.2
181.06483	4.3
182.07246	2.9
183.04443	1.0
183.08067	4.7
193.06490	7.5
194.07259	3.0
195.08047	16.8
197.05940	1.4
197.09654	1.4
202.10684	1.2
205.04907	1.3
205.06506	8.6
207.08151	1.4
208.05325	2.7
210.06747	6.5
211.07564	8.0
221.05943	14.5
222.06557	2.0
222.77423	1.1
223.07536	24.7
225.09087	8.8
227.06995	1.5
233.06004	2.8
234.06622	1.2
237.08989	1.6
238.06285	3.1
239.06996	9.1
251.07034	100.0
252.07475	4.2
253.08598	10.4
254.09085	1.8
256.07455	1.5
259.09702	1.6
265.08588	2.4
271.09641	68.2
272.09991	4.0
283.09631	94.3
284.09995	4.4
285.11237	2.0
289.10626	6.1
301.10657	13.6
302.10785	1.2
319.11771	1.3
445.15054	5.2
463.15726	4.0
498.16092	4.0
499.18384	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.6
53.03945	3.7
53.57341	1.4
55.01849	1.9
57.03437	18.5
59.04998	3.8
61.02926	5.6
67.05497	6.6
68.48009	1.5
69.03432	31.4
69.07062	16.5
69.07988	3.4
69.08394	11.5
71.01339	1.5
71.05010	2.2
71.25044	1.5
73.02911	29.2
73.03297	2.7
75.26599	1.5
79.01864	4.3
79.05450	1.6
81.03407	11.8
81.07056	17.6
83.08622	1.9
85.02898	38.1
87.04469	8.2
91.05472	1.8
93.07033	2.0
95.04962	4.8
95.08602	6.0
97.02266	2.6
97.02890	53.1
97.68840	1.6
98.22591	3.1
99.04465	3.1
100.11267	1.6
105.07024	1.9
107.04932	1.9
107.08598	7.0
109.02863	7.6
109.06570	1.8
109.10167	10.9
111.04394	3.0
115.03929	35.9
119.08497	1.7
121.02876	6.8
123.04416	2.8
123.11703	92.1
124.12032	3.7
125.02328	2.6
125.05972	2.4
127.03915	15.0
133.04964	16.1
133.10054	2.5
137.06036	2.5
139.11284	2.4
141.05460	2.2
143.03426	5.1
145.04935	8.0
151.11169	32.1
153.01823	100.0
153.02853	4.1
153.05458	5.2
163.06056	3.8
169.04964	6.8
169.12228	19.6
171.02911	9.7
177.05489	2.2
178.67162	1.7
184.07336	4.2
185.08096	7.6
191.07036	1.6
193.08621	3.0
210.15038	2.3
221.08122	3.3
223.05962	2.1
237.47150	1.9
241.07224	3.4
247.13437	2.1
259.08194	2.7
282.21939	1.6
283.15326	9.3
293.10425	2.0
297.06152	7.8
301.16321	2.5
303.05023	7.2
312.12753	2.0
313.16333	3.5
315.07068	3.3
377.01712	5.2
395.02725	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90232	0.3
53.03925	0.5
54.15665	0.3
54.43977	0.3
55.01838	0.4
55.05516	3.0
56.52369	0.4
57.03435	5.9
58.06598	36.4
59.07380	10.7
60.08163	8.4
67.05503	10.0
69.07072	3.1
70.59657	0.8
73.02901	0.8
75.04469	3.0
79.05486	3.0
81.07050	9.2
82.84148	0.4
83.08585	1.3
84.08115	1.0
85.02882	2.0
87.04463	4.5
91.05452	1.4
93.07041	2.5
95.08026	0.4
95.08605	6.2
97.06517	0.7
98.89210	0.3
102.05527	0.5
103.03918	0.7
105.05460	1.0
105.06987	1.0
107.08572	1.4
109.10161	1.8
113.05982	0.4
119.08573	0.9
121.10146	0.5
129.05505	0.5
131.07007	1.4
133.10110	0.7
144.10204	8.9
147.11647	0.4
162.11238	2.2
200.12808	0.7
218.13910	1.0
236.14914	83.1
237.15279	2.1
415.85779	0.4
436.37698	0.7
480.36810	26.5
481.37225	2.0
498.37866	100.0
499.38193	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	498.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82558	0.2
55.01872	0.5
55.05509	1.9
56.05035	0.3
57.03438	7.8
57.07083	0.3
58.06599	33.2
59.05003	0.4
59.07380	11.1
60.08163	9.8
61.08518	0.2
65.03941	0.3
67.05504	5.6
69.07068	2.4
73.02927	0.9
75.04478	3.8
79.05492	1.4
81.07055	4.9
83.04980	0.3
83.08639	0.8
84.08159	0.5
85.02901	2.6
87.04466	5.8
91.05474	1.1
93.05530	0.4
93.07035	1.4
95.08605	3.1
97.06544	0.3
97.10173	0.3
100.11235	0.3
101.06018	0.3
102.05541	0.4
103.03951	1.0
105.05500	1.0
105.07035	0.6
107.08601	0.6
109.10131	1.0
113.06026	0.5
118.80340	0.2
119.08583	0.6
121.10154	0.5
123.11716	0.2
129.05470	0.2
131.07053	2.3
133.10127	0.4
135.11752	0.3
144.09056	0.4
144.10196	7.5
147.11578	0.2
152.43851	0.2
159.06532	0.2
162.11246	4.6
162.12538	0.3
176.83342	0.2
200.12816	0.4
218.13850	0.8
236.14911	100.0
237.15268	2.7
337.27142	0.3
344.80380	0.2
393.29974	0.2
436.37958	0.4
480.36810	25.2
481.37241	2.2
498.37881	70.2
499.38220	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	498.4
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	4.5
56.91555	0.6
57.07072	34.0
58.06590	0.7
59.05007	0.9
67.05495	2.5
69.03175	6.6
69.07063	4.2
71.08630	26.5
73.06551	7.2
76.23476	0.6
79.05482	2.0
81.07052	5.4
83.08631	3.6
85.10181	21.5
85.10695	1.1
87.04439	3.5
89.06027	100.0
90.06353	1.5
91.05463	1.8
93.07041	3.1
95.04988	0.9
95.08601	3.9
97.06508	0.7
97.10166	3.7
99.11720	3.9
105.07017	1.6
107.07082	3.5
107.08578	1.7
109.06570	0.9
109.10171	2.1
111.11765	0.9
113.13284	1.8
117.09138	4.5
119.08558	1.1
121.10143	2.8
123.11651	1.3
125.09660	0.9
130.08621	2.1
131.07057	1.2
131.08594	1.0
133.08601	52.6
133.10155	1.7
134.08929	0.9
135.10132	1.2
135.11664	1.3
145.10144	1.4
149.13242	0.7
155.17937	3.4
175.78595	0.6
177.11208	17.0
195.12228	0.8
199.20535	3.8
203.14400	0.9
221.13855	3.4
236.14975	4.3
239.14922	2.5
243.23222	7.0
283.17581	2.5
287.25824	3.6
327.20044	8.1
437.34946	1.0
444.52249	0.7
480.37399	0.8
481.37485	6.7
498.36829	14.7
499.22815	1.5
499.38007	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	499.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99883	1.2
69.03420	1.9
69.56976	1.7
69.57378	4.9
70.06601	1.0
81.03420	1.5
81.64779	0.9
82.99868	3.2
85.01436	1.9
85.02892	1.3
94.93023	1.0
94.99844	1.6
97.02870	1.7
101.00877	23.0
102.00928	1.0
103.02450	4.0
109.02876	0.9
113.00862	6.6
119.01917	29.3
120.02013	0.9
121.03497	1.6
127.02401	15.3
129.00377	0.9
129.03949	1.9
131.01903	20.5
132.02042	1.1
137.00810	1.3
137.02962	2.4
139.02394	4.0
143.01894	26.0
143.02940	1.8
144.01967	1.0
145.03462	52.0
146.03598	3.2
147.01413	2.6
149.02953	3.2
155.01878	35.1
156.02072	2.4
157.03465	18.4
158.03613	1.4
159.05064	1.2
161.02960	24.6
163.04590	5.0
167.01892	14.8
169.03397	5.4
171.01370	9.7
171.05078	3.4
173.02959	51.3
174.03143	2.1
175.00945	1.1
175.04454	3.1
179.01884	5.4
181.03555	1.5
183.01436	1.5
185.02954	49.2
186.03104	5.0
187.03044	0.9
187.04477	4.7
189.02452	9.7
191.01974	1.2
191.03918	1.7
197.02928	17.7
198.03122	1.4
199.00851	5.5
199.04526	3.1
201.02475	2.6
202.89165	3.6
203.03989	13.8
209.02960	3.7
215.03981	10.4
217.01924	68.6
217.05104	3.0
218.01967	4.1
221.05057	5.0
227.03978	9.7
229.01944	12.4
229.04379	0.9
229.05359	1.9
230.01900	1.3
231.02946	2.9
235.02968	20.9
236.03198	1.5
239.04117	1.8
245.05054	100.0
246.05264	8.5
247.02953	16.7
247.06700	1.9
253.04181	1.4
257.05032	15.9
259.02393	4.8
263.06110	12.4
264.06512	1.2
265.04007	2.8
268.94614	1.2
275.06104	14.6
276.06216	1.4
277.03894	27.1
293.07230	3.9
301.03992	12.6
303.01523	1.4
305.07141	12.0
306.07092	1.1
306.90085	2.3
319.05060	26.7
319.08722	1.8
320.05267	2.7
335.08224	3.5
336.08575	1.1
337.06152	27.0
338.06326	2.0
365.09296	10.1
366.09799	1.3
383.10544	1.0
387.77539	0.9
457.03433	1.1
499.11322	23.1
499.22525	1.2
500.11664	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	499.1269
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05527	3.1
69.03436	3.7
69.64183	16.9
79.05484	12.9
81.03403	7.1
81.07040	4.3
85.02905	4.1
91.05470	9.4
94.04182	3.9
95.04943	5.1
103.05466	6.3
105.06995	10.0
107.04954	26.5
109.02865	3.9
111.05561	16.9
115.05446	4.3
119.44321	3.7
121.06471	4.6
122.03647	7.9
123.04377	8.8
124.05173	6.2
128.06171	4.7
129.06987	3.3
130.74426	3.1
131.08559	7.1
137.05972	57.2
139.03857	4.3
141.06995	4.8
144.05690	6.1
145.06494	6.5
147.04378	6.6
149.05937	4.5
152.04768	3.4
152.06151	4.1
153.01865	15.9
156.05705	11.2
157.06166	6.1
159.08043	12.6
161.05962	11.4
163.03955	6.2
165.06967	7.6
167.03369	43.7
167.07034	79.5
173.05974	4.9
177.05475	4.6
179.07112	4.0
182.07202	3.8
184.05084	3.4
187.07515	8.4
190.06215	3.2
191.08568	4.6
193.08617	3.0
205.06682	3.7
205.08586	13.1
207.06516	4.5
208.05200	18.3
211.07484	7.6
215.06828	8.1
217.08615	31.6
219.08025	7.2
219.10040	3.3
220.08644	3.3
221.06006	5.2
224.95975	3.2
231.08055	6.2
235.07474	3.8
239.06992	4.0
247.07489	6.5
247.09694	16.5
248.08354	7.9
254.05730	7.5
255.06204	4.1
263.10541	7.4
264.07932	3.6
265.08466	6.8
269.08014	24.0
270.08414	4.2
271.09619	30.9
275.06863	3.7
276.07581	3.5
277.08499	6.3
279.10324	3.9
280.10693	4.0
282.08813	6.0
291.10092	8.1
293.07983	5.6
293.11618	3.2
299.09024	6.3
300.06326	4.5
305.07874	5.2
307.09515	5.6
308.10101	6.4
310.08499	4.4
311.12860	3.2
315.05237	6.1
315.08618	58.4
316.08810	5.5
319.09656	7.1
323.12729	8.2
330.10959	100.0
331.11615	13.5
339.11975	3.9
343.11618	18.4
351.12454	19.7
368.12259	4.8
369.13159	4.3
371.14807	10.2
383.14828	40.8
401.15952	18.4
481.11557	5.9
499.11066	15.2
499.26419	11.6
504.67770	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	499.142
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05038	0.7
70.89209	0.7
84.74413	0.6
93.49708	0.7
98.22556	1.0
112.72492	0.7
147.04424	0.9
153.01816	4.1
158.36655	0.7
162.36139	0.7
162.68881	0.6
167.07155	0.9
175.03671	5.1
181.23390	0.7
185.04361	1.1
192.03932	1.9
203.05293	1.9
207.76518	0.7
259.07922	3.4
329.08453	1.2
347.09454	100.0
348.09827	2.9
361.07129	0.7
389.07874	0.7
389.12686	0.8
400.83710	0.7
425.46872	0.8
437.14032	1.3
439.11917	1.2
499.14099	78.0
500.14511	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	499.1441
Annotation	Sodium methotrexate
Peak:m/z	Relative Intensity
51.02367	0.6
53.03941	1.4
69.03426	2.5
69.05318	3.3
69.05744	1.9
79.01840	4.7
81.03416	7.3
85.02906	3.5
87.86385	0.5
97.02892	5.2
99.04469	0.8
103.03883	0.8
107.01302	1.5
109.02863	4.1
109.74210	0.5
110.03681	0.6
125.02324	3.5
125.05989	2.3
127.03906	6.5
143.03380	5.6
145.04961	1.6
153.01823	100.0
153.02888	5.3
153.05373	4.8
154.02145	2.1
154.06215	1.6
163.03947	0.5
170.05736	1.4
171.02892	9.3
185.08075	8.8
195.02905	0.5
197.37427	0.6
206.56894	0.5
209.08264	0.7
209.22736	0.5
227.09187	0.9
237.03809	0.6
255.04909	1.1
275.09131	2.0
293.10172	0.8
297.06042	8.9
315.06998	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	499.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.6
67.05509	5.1
69.07051	3.1
70.70903	0.9
73.70299	1.0
78.84599	0.9
79.05499	4.1
79.91176	1.0
81.07078	5.8
83.04996	2.7
83.08643	1.3
84.20819	0.8
91.05490	3.8
93.07059	4.0
95.04990	1.2
95.08604	7.2
97.06522	1.4
105.07051	4.4
107.05006	1.2
107.08579	4.8
109.06570	1.2
109.10178	3.3
111.08067	0.9
117.07035	1.4
119.08598	4.3
121.06485	1.3
121.10130	5.6
125.09604	1.1
131.08566	2.9
133.10149	4.0
134.50623	1.0
135.11700	2.5
137.09595	1.9
139.11189	1.6
143.08577	1.3
145.10155	2.6
147.04288	1.5
147.11687	1.9
149.09631	2.0
149.13379	1.3
157.10161	1.2
159.11696	2.1
161.09586	1.5
163.14783	1.2
173.13365	1.2
175.11160	1.0
175.14818	2.3
177.12856	1.1
179.03186	3.6
185.13263	1.3
187.14865	1.5
201.16318	1.2
203.14345	1.8
231.06294	11.5
233.15303	1.2
233.45792	1.0
245.07854	22.8
246.08356	1.4
249.07336	51.4
250.07700	2.2
263.08890	100.0
264.09317	6.2
299.12634	2.1
303.19727	1.1
317.13620	16.5
345.57635	1.0
377.74222	1.1
415.17285	4.4
439.28522	1.9
453.22711	2.3
453.30099	4.3
455.24335	2.0
465.29984	1.1
481.21988	68.8
481.28998	3.9
482.22214	7.1
499.23053	91.4
499.30301	6.8
499.34265	5.5
500.23224	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	499.3398
Annotation	Hyperibone J
Peak:m/z	Relative Intensity
50.76343	0.2
53.41721	0.2
55.01853	0.4
55.05504	1.4
57.07070	0.4
65.34971	0.2
67.05506	1.9
69.07059	1.1
69.28939	0.4
69.29294	2.2
79.05495	1.5
81.07049	2.5
83.04980	0.5
83.08630	0.9
88.23358	0.3
91.05464	1.2
93.07053	1.6
95.08609	2.0
97.06544	0.4
97.10167	0.9
105.07024	1.5
107.08625	2.0
109.06524	0.5
109.10191	1.2
119.08575	2.1
121.10133	1.6
122.63570	0.3
123.08019	0.3
123.11695	0.4
131.08560	1.0
133.06493	0.3
133.10138	1.4
135.08076	1.4
135.11690	1.0
137.09628	0.4
142.28036	0.3
143.08615	0.4
145.10126	1.5
147.11708	0.8
149.09573	0.4
149.13322	0.3
153.09105	0.5
156.09282	0.3
159.11717	1.1
161.09525	0.4
161.13220	0.7
163.14821	0.4
168.99831	0.3
173.09676	0.3
173.13290	1.2
175.11267	0.3
175.14796	0.6
183.11673	0.4
187.14832	0.8
189.12878	0.4
189.16374	0.3
191.14334	0.4
199.11145	0.5
201.12691	0.3
201.16394	0.3
213.12572	0.3
215.14349	0.2
217.12282	0.4
219.13759	0.3
232.01256	0.3
249.14687	0.3
279.23108	0.6
279.45483	0.3
323.23694	0.3
350.89874	0.3
369.24191	0.8
393.28171	0.3
402.24158	0.6
435.28833	0.7
437.30457	0.3
441.26208	0.3
453.30011	0.9
473.23456	0.3
481.28964	1.2
499.33826	100.0
500.34216	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	499.3417
Annotation	CHEBI:69006
Peak:m/z	Relative Intensity
55.05494	6.5
55.29214	1.1
57.03399	1.3
57.07052	2.3
58.06570	5.0
60.08141	1.9
66.04311	1.3
67.05476	3.0
69.07073	5.5
79.05453	4.9
81.07056	9.5
83.04942	3.9
83.08568	3.1
91.05437	3.9
93.07043	5.7
95.04934	1.2
95.08605	15.7
97.10126	3.3
98.23315	2.6
99.01407	1.1
100.37432	1.1
105.07019	8.9
107.08600	12.1
107.09282	1.9
109.06492	1.8
109.10142	5.9
111.08017	1.9
117.06978	2.0
119.08579	14.8
121.10138	8.2
123.11652	3.0
125.09595	1.8
125.44026	1.1
131.08507	3.8
133.10109	9.6
135.08023	1.5
135.11684	7.7
137.09608	1.1
143.08499	2.6
145.10043	4.4
147.11714	6.9
149.09532	1.5
149.13220	2.7
153.09045	1.9
155.08501	2.3
157.10086	2.7
159.11620	3.8
160.64825	1.1
161.13251	5.9
169.09995	1.7
171.11649	2.7
173.13161	4.3
175.11189	1.4
175.14818	8.1
177.16347	2.7
183.11618	2.2
187.11028	1.3
187.14723	4.4
189.11118	3.8
189.12668	1.4
189.14854	1.5
189.16370	20.6
191.17911	2.3
197.13171	3.2
199.14763	2.3
201.16307	2.8
203.14189	1.4
211.14717	1.6
213.16246	1.4
215.14252	1.9
215.17743	1.6
217.15770	7.9
227.17839	1.6
233.15363	1.2
235.16931	5.3
236.14903	14.6
249.14648	1.3
253.19336	3.2
263.16287	4.4
271.20496	5.2
275.16434	1.2
317.20868	1.7
389.31418	1.5
435.32352	2.7
439.31314	1.6
453.33493	9.4
481.32245	1.5
482.38416	2.8
499.33752	100.0
500.32388	6.9
500.38965	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	499.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.4
55.01867	0.3
55.05507	0.9
66.41311	0.3
67.05503	1.4
69.07059	1.1
71.04945	0.4
71.33000	0.6
76.24097	0.3
79.05495	1.3
81.07048	2.3
83.08627	0.6
85.06527	0.3
91.05478	1.1
91.74497	0.3
93.07031	1.9
95.04984	0.3
95.08590	2.9
97.06545	0.6
105.07020	2.1
107.04933	0.4
107.08573	2.4
109.06499	0.4
109.10153	1.3
111.08076	0.3
119.08582	2.5
121.06501	0.4
121.10144	1.9
123.08081	1.0
123.11711	0.7
130.07787	0.4
131.08571	1.5
133.10141	1.4
134.86664	0.3
135.08015	0.4
135.11713	1.1
137.09592	0.4
138.39461	0.3
139.18723	0.3
142.96149	0.3
143.08578	0.7
145.10150	1.3
147.08081	0.5
147.11671	1.1
149.09590	0.7
152.71413	0.3
157.10129	1.1
159.11737	1.5
161.09625	0.6
161.13245	0.7
163.11275	0.4
165.12785	0.4
169.10184	0.6
171.11705	0.7
173.13260	0.8
175.11192	0.6
175.14824	0.9
177.12650	0.4
183.11626	0.7
185.09412	0.3
185.13307	0.5
187.11113	0.4
187.14813	0.5
189.11230	0.4
189.12766	0.4
189.16318	0.3
199.14781	0.4
201.12730	0.3
201.16437	0.4
205.12131	0.4
212.38963	0.4
213.12926	0.3
217.12247	0.7
223.15022	0.3
229.12222	0.5
237.16486	0.4
241.19818	0.4
283.04272	0.3
304.90710	0.4
407.29230	0.4
435.29016	1.1
453.29950	1.3
463.30243	0.4
481.28906	1.9
499.37308	100.0
500.37558	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	499.3772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.1
55.01855	0.1
55.05505	0.4
57.03432	0.2
57.07070	0.1
61.02920	0.3
62.83805	0.1
67.05506	1.0
68.05834	0.1
69.03431	0.3
69.07065	0.5
71.04990	0.1
71.31924	0.1
71.79256	0.1
79.05507	0.7
81.03408	0.1
81.07056	1.1
82.07359	0.1
83.04985	0.2
83.07381	0.1
83.08618	0.4
85.02875	0.2
91.03952	0.1
91.05459	0.4
93.07045	0.9
93.24965	0.1
94.07379	0.1
95.04914	0.1
95.08595	0.8
96.08946	0.2
97.02889	0.2
97.06554	0.1
97.10167	0.1
102.10705	0.1
105.07037	0.7
107.08572	0.8
108.08926	0.1
109.06537	0.1
109.10184	0.5
110.10500	0.1
111.08090	0.2
117.07088	0.1
119.08588	0.7
121.10155	0.6
123.08113	0.1
123.11718	0.2
127.03916	0.2
131.08588	0.4
133.06584	0.1
133.10117	0.5
135.11742	0.3
137.09604	0.2
143.08583	0.2
145.10164	0.4
147.08055	0.2
147.11693	0.2
149.13338	0.2
151.07498	0.1
157.10106	0.2
159.08069	0.2
159.11685	0.3
161.13284	0.1
163.11134	0.1
163.14806	0.2
171.11588	0.1
173.13263	0.3
175.14870	0.2
177.09015	0.1
177.12781	0.1
179.10649	0.1
185.13249	0.1
187.14856	0.2
189.16441	0.1
193.12155	0.1
203.06801	0.1
226.54842	0.1
231.06219	1.0
245.07861	0.8
249.07352	4.6
249.14630	0.1
250.07521	0.1
263.08923	3.9
264.09216	0.2
267.80273	0.1
293.21228	0.1
299.12570	0.2
317.13574	0.8
337.26807	0.2
415.17123	0.2
417.28006	0.1
435.28946	0.3
437.30420	0.1
445.29300	0.1
453.30051	0.4
463.28796	0.1
464.30765	0.2
469.48279	0.1
481.21988	3.5
481.29285	0.3
482.22589	0.3
499.22726	4.8
499.37549	100.0
500.23251	0.6
500.37909	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	499.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.3
59.74441	0.2
67.05520	0.5
68.64054	0.2
69.07082	0.3
69.51917	0.2
70.64203	0.5
72.15791	0.2
73.47297	0.2
79.05489	0.3
80.91196	0.2
81.07049	0.6
91.05463	0.3
93.07052	0.7
95.08622	0.5
105.07047	0.6
107.08608	0.7
109.10182	0.3
119.08595	0.5
121.06487	0.3
121.10127	0.5
121.89506	0.2
131.08563	0.3
133.10143	0.4
135.11719	0.2
143.08521	0.2
145.10121	0.4
148.39314	0.2
150.07498	0.2
156.63042	0.2
161.09647	0.2
161.13165	0.2
178.36127	0.2
197.13268	0.2
244.37045	0.2
276.34174	0.2
353.83499	0.2
399.28604	0.3
435.29355	0.2
453.29538	0.4
461.17917	0.2
467.14969	0.4
468.91748	0.2
481.29318	0.4
499.37558	100.0
500.37906	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	499.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08568	0.2
53.28894	0.2
55.05502	0.4
57.07074	0.6
57.47021	0.2
67.05495	0.7
69.07069	0.6
69.39767	1.6
79.05487	0.5
81.07047	1.0
83.08615	0.7
84.41055	0.3
85.10173	0.3
89.06038	1.6
93.07034	0.6
94.63023	0.2
95.08607	1.0
105.07011	0.7
107.08584	0.6
109.10143	0.7
113.14363	0.3
119.04890	0.2
119.08588	0.6
121.10160	0.6
123.11684	0.3
129.89183	0.2
133.08611	0.7
133.10150	0.5
135.11662	0.7
145.10127	0.4
147.11723	0.3
149.13206	0.2
159.11665	0.4
161.13271	0.4
189.16379	0.4
200.05247	0.2
311.50119	0.3
372.31744	0.2
421.30493	0.4
481.32803	0.5
499.37561	100.0
500.37875	11.0
500.45328	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3759
Annotation	Argenteanone D
Peak:m/z	Relative Intensity
53.03934	0.5
53.64557	0.4
55.05508	1.2
57.45413	0.4
59.51375	0.4
67.05501	2.7
69.07070	1.6
69.15325	1.7
69.15744	2.1
70.50787	0.4
71.63760	0.4
79.05505	1.4
81.07056	3.0
83.05000	0.4
83.08643	1.3
91.05502	1.8
93.07040	2.4
95.08601	3.4
97.10188	0.7
98.23311	0.9
99.36185	0.4
105.07016	2.3
107.08613	2.3
109.10173	1.7
119.08593	2.5
121.10175	1.3
123.08077	0.8
123.11735	0.8
131.08585	0.6
133.10181	1.6
135.07950	0.6
135.11740	0.9
137.55255	0.4
145.10161	1.5
147.08083	0.5
147.11726	0.8
157.10243	0.5
159.08104	0.6
159.11641	1.0
161.09653	0.5
161.13235	0.6
161.16473	0.4
169.10222	0.7
169.17929	0.6
171.11732	0.7
173.13336	0.7
175.14886	0.6
187.14856	0.8
189.16318	0.6
193.25362	0.5
213.16518	0.5
233.15559	0.6
247.72833	0.4
249.55263	0.5
279.23212	0.6
441.18387	0.5
447.30984	0.7
453.30045	0.6
454.11169	0.5
465.32236	1.1
481.32809	1.4
499.37665	100.0
500.38007	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	500.103
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31070	0.4
53.03939	0.4
56.80293	0.4
57.03440	0.7
60.05652	0.4
61.02944	0.5
69.03061	0.5
69.03425	9.4
70.06584	1.0
71.05004	0.9
71.91303	0.4
73.02897	0.6
81.03403	3.4
85.02900	2.2
97.02887	1.1
99.04436	1.1
109.02849	0.6
119.04904	0.4
127.03950	2.0
131.89828	0.4
145.04968	0.5
157.02841	0.7
158.40514	0.4
170.95700	0.4
175.03879	1.3
175.11858	1.0
185.02328	0.9
187.03903	3.0
203.03386	2.3
213.01825	3.4
215.03375	3.2
231.02855	15.9
232.03149	0.6
241.01202	2.5
259.02356	26.3
260.02728	0.9
273.03818	0.5
275.02045	0.5
277.03406	100.0
278.03717	4.0
301.03360	0.6
303.01331	9.0
312.03162	0.5
321.02344	1.5
345.02228	1.0
465.06433	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.8
57.03427	0.9
61.02908	1.0
68.79726	0.4
69.03426	9.0
70.06573	0.7
70.21237	0.4
71.04977	0.6
71.31892	0.4
71.32277	0.4
73.91740	0.4
81.03407	3.5
85.02882	2.7
91.91468	0.4
97.02879	0.6
99.04446	0.7
103.05470	0.8
109.02854	0.8
127.03916	1.9
131.04919	0.7
147.04445	0.4
157.02846	0.5
169.25845	0.4
175.03909	1.4
175.11908	0.9
185.02344	0.9
187.03909	3.6
203.03340	3.1
213.01825	2.4
215.03386	3.5
231.02864	14.9
232.03178	0.6
241.01253	2.0
247.02444	0.6
259.02362	27.1
260.02820	1.1
275.01794	0.7
277.03406	100.0
278.03745	3.5
301.03366	0.4
303.01324	10.2
304.01749	0.5
321.02258	1.2
345.02457	1.7
415.46002	0.5
465.06805	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
63.36378	3.1
65.03944	5.4
69.14589	28.1
78.50800	4.7
81.03417	6.2
85.02865	4.8
97.02869	4.8
116.52353	4.2
123.04495	9.0
125.00077	4.2
129.74440	3.7
140.04639	4.8
148.10814	3.7
153.01825	18.4
154.02202	5.3
161.05968	5.6
165.50824	3.8
167.07050	6.9
181.04948	100.0
184.07320	7.8
199.05997	8.2
325.09177	4.5
408.11060	4.0
442.35886	4.8
454.34756	5.0
500.10254	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	500.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92635	5.5
54.83489	5.7
67.05520	7.0
69.04919	5.2
69.05228	60.2
74.66363	5.1
79.05476	11.9
85.02878	7.2
91.05474	19.9
95.04985	10.0
96.53988	5.7
102.27609	5.7
103.05473	18.1
105.07011	17.4
107.04948	38.3
109.06493	6.5
115.05453	7.3
119.04919	24.7
123.04455	10.4
125.06028	9.7
129.07004	9.4
131.04916	21.5
133.06424	11.2
135.04442	8.4
135.08005	17.1
137.05971	100.0
147.04395	23.2
148.05067	5.7
148.46268	5.9
149.05989	7.2
151.07539	58.7
153.01828	9.6
159.08090	9.1
161.05974	89.6
161.09666	14.3
163.07556	39.9
167.07004	16.3
175.07542	13.7
179.07018	9.4
181.04936	81.3
181.08594	14.9
189.09081	68.3
195.07982	7.9
195.10141	9.3
198.06837	5.9
199.05966	8.8
207.10165	89.8
217.08324	7.8
221.09613	5.7
227.10712	15.5
253.12292	7.2
255.10149	7.2
285.11234	9.1
287.12787	37.8
296.96567	6.1
307.04483	10.6
311.12677	9.5
313.14297	40.7
329.67361	5.9
331.15378	71.3
332.15677	9.6
343.15521	7.7
426.97238	6.1
500.21698	8.7
501.13187	10.6
501.17584	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	500.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.0
65.03931	1.6
68.99786	3.7
69.03432	2.0
69.09448	8.6
71.01376	1.3
81.03408	3.1
85.02906	6.5
86.89501	1.0
91.05453	1.3
93.03432	1.0
95.05019	1.0
97.02878	3.5
98.22568	2.0
99.04482	1.4
103.05463	2.1
107.04942	5.6
109.02862	3.4
111.04425	5.4
112.01588	5.0
121.06500	9.3
122.07285	7.9
123.04432	1.3
127.03902	47.1
135.08012	1.0
137.05948	2.9
139.03893	9.1
140.04749	1.5
149.09586	5.9
153.01811	7.5
154.02153	4.7
155.03375	100.0
156.03729	3.0
163.07555	6.2
167.10648	6.2
181.04976	1.5
181.08580	3.1
188.03989	1.0
275.09402	1.2
279.06146	1.3
321.13315	27.5
322.13498	1.5
339.08908	1.6
377.10190	1.1
389.13092	0.9
391.22311	0.9
501.11862	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	0.3
53.03947	0.3
55.01860	0.4
57.03434	0.5
59.43679	0.2
61.02904	0.4
66.04727	0.3
69.02100	0.2
69.02438	2.8
69.03431	1.2
73.02898	0.9
79.05468	0.3
81.03400	0.6
81.07036	0.6
83.04974	0.4
85.02901	4.6
91.05441	0.4
92.13402	0.3
92.20975	0.3
93.07056	0.5
94.04150	1.6
95.08605	0.6
97.02888	2.0
97.72676	0.3
98.22593	0.5
99.04425	0.4
107.04868	0.3
107.08573	0.9
109.02850	0.8
109.10176	0.4
109.17161	0.3
115.03903	0.9
116.29076	0.2
121.06513	0.3
122.03638	4.2
123.08042	0.6
127.03908	1.5
133.04977	1.1
135.11719	1.7
137.05966	100.0
138.06284	2.6
141.05475	0.3
141.09174	0.6
145.04961	2.3
147.04398	0.7
149.05948	0.7
151.07492	0.4
153.01828	0.3
153.06976	1.0
153.12730	2.2
163.06075	1.2
179.07030	1.1
181.06487	1.1
198.06749	0.4
202.10602	0.3
209.05838	0.4
213.09119	1.0
223.05923	0.3
242.09215	0.3
253.08688	0.5
259.08060	0.6
273.11176	3.0
285.11212	1.7
295.10193	0.4
303.11850	0.5
323.04388	0.3
332.32953	0.3
501.14816	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.0
52.76332	0.3
53.03939	0.9
57.03413	0.3
65.96538	0.3
67.05501	0.9
68.34162	0.4
70.44167	0.6
70.44518	0.7
77.03920	1.2
85.02898	0.5
93.07060	0.5
95.04953	1.4
103.05471	9.6
104.10745	1.0
105.03374	1.9
105.07092	0.4
107.04957	1.7
121.06499	1.0
123.04427	100.0
124.04769	2.0
125.00052	0.3
131.04930	9.0
135.08087	0.4
137.05949	1.9
143.04941	0.5
148.05183	0.5
149.05974	3.4
152.07043	0.5
161.05977	0.9
163.07527	4.8
164.08298	2.1
169.68555	0.3
181.08575	1.4
184.07268	0.7
267.10406	0.4
285.11194	16.2
286.11517	1.1
299.80637	0.3
420.73459	0.4
482.24069	0.5
501.23117	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29691	8.7
51.32682	9.0
54.02443	9.1
54.43840	9.3
57.90125	10.1
66.60294	9.9
67.05506	23.8
68.79512	10.2
69.03435	26.0
69.06635	21.0
69.07046	100.0
70.75191	10.2
74.56271	12.1
79.05514	30.1
81.03414	32.1
81.07069	30.8
85.02912	39.9
86.94726	9.9
91.05498	32.2
93.07057	86.0
95.04973	13.7
95.08604	13.4
97.02903	37.6
97.10167	17.9
99.04473	13.7
105.07025	37.3
107.08582	55.8
109.02876	23.0
109.10147	18.8
111.08090	16.6
118.73233	11.4
119.08618	32.2
121.10149	91.8
122.10467	13.1
127.03922	28.7
132.16046	10.6
135.08069	20.7
145.04942	13.0
149.09637	36.0
153.01895	15.7
163.07526	59.7
167.10687	24.9
177.05524	15.7
177.08870	11.5
181.08678	23.1
183.86008	11.4
203.73079	11.4
207.06735	12.5
294.35785	11.4
322.23682	10.0
325.12833	14.9
501.23090	94.3
507.30228	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	500.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.7
55.01873	2.7
55.05517	5.5
55.05736	0.9
57.03431	6.7
58.06332	1.2
58.06597	13.3
59.07379	3.7
60.08162	5.3
60.22145	0.8
67.05500	19.7
69.03434	5.4
69.04813	8.8
69.07053	4.0
71.04986	1.6
73.02917	2.0
73.80082	0.7
75.04469	3.2
79.05489	4.8
81.03410	15.8
81.07048	19.6
82.07388	0.9
83.05004	2.6
83.08627	1.2
85.02895	5.4
85.06568	1.9
87.04463	4.2
91.05481	5.7
93.07050	10.6
95.04954	5.5
95.08601	12.6
97.02882	4.5
97.06541	1.9
97.10172	3.6
98.23350	1.8
99.04454	3.3
99.05540	0.8
99.08100	2.2
104.49238	0.8
105.07042	3.9
107.08585	6.7
107.76418	0.7
109.02868	15.7
109.03538	1.2
109.06529	3.6
109.10151	46.7
110.10502	1.3
111.04418	2.2
111.08089	2.4
111.11758	1.0
115.05447	0.8
117.07037	1.6
119.08553	5.6
121.02911	1.0
121.06498	5.0
121.10131	5.7
123.08118	1.4
123.11736	2.3
125.02340	0.9
125.05982	2.3
125.09612	2.0
127.03911	7.9
129.07027	1.1
131.07027	1.2
131.08597	2.2
133.10124	2.8
135.08076	2.8
135.11710	2.2
137.09605	100.0
138.09973	2.8
140.48193	0.8
142.07826	1.1
143.08583	5.0
145.10138	2.7
147.08073	2.1
147.11705	2.5
148.12015	0.8
149.09637	1.1
149.13284	1.4
151.11220	1.0
153.12823	1.0
155.10649	7.3
157.10136	1.4
157.12263	1.1
159.11607	1.2
161.13290	1.9
163.07538	1.3
165.09109	85.6
166.09450	2.0
169.10181	1.2
171.11729	6.5
173.13303	0.8
178.86850	0.9
183.10167	7.2
183.11594	1.3
189.12816	1.7
201.09352	1.4
201.11174	12.8
218.10646	1.0
236.14911	29.9
278.70605	0.9
283.36325	0.9
291.12292	5.3
297.12231	0.9
303.23318	2.2
309.13303	42.6
310.13809	1.8
320.23102	0.9
321.24246	1.8
327.14374	14.3
338.11014	1.0
339.12653	1.5
345.15387	2.0
453.65228	1.0
482.28543	1.1
500.32187	39.7
501.32089	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98924	0.8
53.03945	2.6
55.01867	2.3
55.05503	4.9
57.03439	4.7
57.07072	1.1
58.06601	9.4
59.07389	1.7
60.08163	3.5
63.36876	1.1
65.03929	1.1
67.05505	21.2
69.03432	5.6
69.07070	4.7
70.22046	3.3
71.04995	2.9
73.02922	1.5
75.04475	1.4
79.05485	3.5
81.03414	16.2
81.07058	18.3
83.04982	2.0
85.02922	6.8
87.04466	3.0
88.34645	0.9
91.05480	4.0
93.07056	9.5
95.04954	8.8
95.08608	12.8
97.02892	4.1
97.06526	2.2
97.10172	2.8
99.04457	2.8
99.08110	2.0
103.05469	1.8
105.07034	3.0
107.04946	1.0
107.08609	7.3
108.12920	0.8
108.15559	0.9
109.02888	15.3
109.06533	2.6
109.10153	47.7
110.10464	1.9
111.04478	1.3
111.08053	2.5
119.08582	6.0
121.06492	4.0
121.10162	4.0
123.04433	1.0
123.08112	1.3
123.11736	1.8
125.06021	1.6
127.03923	9.7
128.06250	1.1
131.08566	1.9
133.10118	2.9
135.08055	3.4
135.11717	1.9
137.09612	100.0
138.09938	2.9
139.11214	1.2
143.08521	4.8
145.10126	2.2
147.11659	1.5
151.11227	1.0
155.10681	6.4
157.10138	1.3
159.11700	2.1
161.09555	1.0
163.11201	1.2
165.09116	88.2
166.09453	3.5
169.10106	1.9
169.54942	0.9
171.11713	6.6
183.10213	7.0
183.11717	1.5
201.11218	10.0
236.14937	22.3
256.05933	0.9
273.11221	1.9
291.12274	6.0
303.15567	1.0
303.23328	1.2
309.13306	44.4
310.13611	2.2
327.14404	14.8
345.15341	1.4
383.89063	1.1
424.74411	0.9
500.25336	1.4
500.32092	25.4
501.23462	0.9
501.32025	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	500.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40260	1.4
53.03941	3.6
55.05513	6.7
55.13435	1.5
57.03417	2.6
57.13228	1.6
58.11105	1.7
65.03989	1.4
67.05495	4.2
69.03429	7.4
69.07057	5.5
70.81463	3.8
71.04987	3.2
75.04476	1.8
79.05486	11.2
81.03406	6.8
81.07064	11.4
83.04993	3.2
85.02914	6.0
91.05479	10.0
93.07047	44.6
94.04201	4.3
95.04968	6.6
95.08647	7.8
96.57110	1.5
97.02889	5.3
97.06548	3.3
97.10155	4.5
98.10527	1.5
103.05453	1.9
105.07034	9.9
105.11954	1.5
107.04948	2.3
107.08624	14.8
109.02881	5.3
109.10151	4.6
111.08075	5.7
117.07044	2.8
119.08624	8.0
120.08855	2.1
121.02863	3.9
121.06513	3.1
121.10146	44.5
122.03645	8.6
122.10538	2.2
123.04456	2.8
123.11756	2.5
127.03906	4.2
129.07016	2.3
131.08556	3.3
135.08034	5.1
135.11662	3.2
137.05977	100.0
138.06352	3.8
139.03905	2.5
139.11176	2.8
145.10143	2.8
147.11726	1.8
149.09622	6.4
151.07529	2.8
153.01816	1.8
153.09061	1.7
154.88985	1.6
159.08080	1.7
163.07562	3.3
163.11327	1.7
167.10643	13.6
175.07510	2.0
181.08524	1.7
188.27209	1.9
203.82756	1.7
257.15482	2.2
285.14771	2.0
311.15005	6.6
350.44461	2.0
500.21561	4.4
501.17130	7.3
501.23276	4.7
521.23260	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	0.4
54.52719	0.3
55.01859	0.7
57.03434	0.9
61.02912	0.6
69.03442	2.6
69.69208	2.0
71.04964	0.4
72.81507	0.4
72.84417	0.5
73.02912	1.6
79.05488	0.4
81.03415	0.4
81.07039	0.4
85.02898	7.2
85.68722	0.4
87.04435	0.4
91.05493	0.7
93.07036	0.8
94.04185	1.5
95.04956	0.6
95.08577	0.6
97.02895	2.5
97.06516	0.8
100.02278	0.3
107.08588	1.7
108.30744	0.4
109.02888	0.9
109.10155	0.7
115.03933	1.6
121.06532	0.7
122.03653	3.8
123.08084	0.7
127.03915	2.9
133.04962	2.4
135.11688	2.8
137.05974	100.0
138.06331	2.6
141.09119	1.3
145.04961	3.6
147.04436	0.9
149.05983	1.1
151.07503	0.6
153.01839	0.6
153.07037	0.9
153.12741	4.4
163.06073	2.5
179.07117	0.9
181.06519	1.4
213.09151	0.7
241.08646	1.1
253.08638	0.6
259.08139	0.8
273.11176	3.9
285.11172	1.5
295.10245	1.2
303.14661	0.4
350.06024	0.4
385.08606	0.4
453.71762	0.4
501.13730	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08841	0.4
55.01852	0.5
55.05506	7.1
57.03436	5.5
57.07048	1.6
58.06596	41.9
59.07379	11.9
60.08164	12.5
67.05499	3.9
69.07062	9.2
69.28709	1.9
69.29115	1.1
71.04980	0.6
71.08607	0.5
73.02883	0.8
75.04153	0.4
75.04472	4.1
79.05495	1.9
81.07057	3.7
82.97760	0.6
83.04945	0.6
83.08624	4.4
84.08112	1.1
85.02895	2.8
86.09701	0.4
87.04469	5.0
93.07023	0.9
95.08594	3.6
97.10178	2.5
98.23192	0.7
102.05492	0.7
103.03921	0.4
105.05463	0.7
107.08608	0.8
109.10076	1.3
111.11679	0.5
113.05976	0.6
121.10104	1.0
123.11681	0.4
131.07053	2.1
135.11656	1.1
144.10181	9.8
149.13196	0.5
159.06566	0.5
162.11292	2.0
200.12753	0.9
218.13817	0.9
236.14906	100.0
237.15248	2.5
291.12463	0.4
339.28995	0.5
438.39545	0.9
482.38379	28.6
483.38690	2.6
500.39435	97.6
501.39706	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	500.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81537	0.3
53.29775	0.3
55.01854	0.5
55.05507	2.8
56.05025	0.3
56.65089	0.3
57.03435	6.6
57.07059	0.9
58.03774	0.4
58.06598	30.0
59.06916	0.4
59.07380	10.1
59.95077	0.3
60.08163	8.9
61.50377	0.3
67.05496	1.9
67.90388	0.3
69.07065	3.3
69.29330	2.4
73.02890	1.0
75.04094	0.3
75.04479	4.0
77.23315	0.3
78.65771	0.3
79.05465	0.9
79.22240	0.3
81.07051	2.5
82.97761	0.4
83.04951	0.4
83.08607	2.0
84.08141	0.6
85.02902	2.3
87.03954	0.4
87.04459	5.4
88.77071	0.4
93.05531	0.5
93.07021	1.0
95.08620	1.5
97.10137	1.2
101.06003	0.3
103.03911	0.7
105.05484	1.0
107.08590	0.5
109.10157	0.6
118.53938	0.3
121.10139	0.8
125.80005	0.4
131.07010	1.9
135.11644	0.6
139.63228	0.3
144.10191	7.9
154.19875	0.3
162.10020	0.5
162.11250	4.6
200.12816	0.6
218.13921	0.9
230.22275	0.4
236.14914	100.0
237.15242	2.5
245.94870	0.3
261.35580	0.3
288.22516	0.3
306.17300	0.4
339.28998	0.5
438.39355	0.4
438.57571	0.4
482.38373	23.4
483.38913	2.4
500.39432	64.7
501.32977	0.6
501.39859	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	501.2118
Annotation	(2'E)-2',3'-Didehydro-2'-deoxy-13'-hydroxyverrucarin A
Peak:m/z	Relative Intensity
55.05505	1.0
57.07068	3.5
67.01317	0.9
67.05501	4.4
69.02402	8.8
69.03423	5.6
69.07078	1.4
70.06571	0.9
70.66786	0.7
71.04995	5.4
75.82919	0.8
79.05485	3.8
81.07055	4.5
82.73964	0.8
83.01329	4.5
83.04966	2.8
83.08597	1.2
84.87608	0.8
85.06542	0.8
85.37384	0.9
91.05468	3.3
93.07031	4.4
95.04974	1.4
95.08609	4.4
97.06527	1.2
97.10136	1.1
98.23417	1.8
98.89054	0.9
105.07023	2.8
107.08584	3.8
109.06508	1.8
109.10146	2.5
113.05985	2.3
117.07021	1.2
119.08594	2.2
121.06518	3.7
121.10161	2.0
123.08074	1.8
123.11680	1.3
125.09641	1.1
129.07002	1.2
131.08611	1.3
133.06487	3.6
133.10123	2.0
135.08018	4.7
135.11676	2.0
137.05980	1.9
137.09669	1.3
137.13260	1.1
142.07751	1.2
145.06474	0.9
145.10107	2.2
146.11751	1.0
147.08037	1.4
147.11728	0.9
149.05989	3.7
151.07515	2.6
153.05515	1.6
155.08495	1.1
156.09222	0.9
157.10123	1.0
159.08116	1.6
159.11708	1.3
161.05974	2.4
161.09634	1.6
163.07544	3.1
165.05417	1.6
167.07080	2.0
173.05995	2.1
173.09576	1.0
175.07483	4.7
175.11130	0.9
176.08334	1.9
177.05508	2.2
177.09128	1.8
179.07039	6.7
184.08946	0.9
185.09624	2.6
187.07516	1.3
187.11192	1.3
189.05415	1.0
189.09114	4.5
191.07033	31.5
192.07661	2.9
193.08578	2.1
195.06567	1.4
197.09657	0.9
199.11240	2.4
201.09143	2.8
201.12683	1.3
203.07024	3.8
203.10661	10.1
204.07777	2.2
204.11127	0.8
205.08548	5.5
207.06543	1.3
209.08086	3.4
212.08417	1.2
213.09149	5.2
213.12889	0.9
214.09737	1.3
215.07043	1.8
215.10693	1.9
216.07863	1.2
217.08574	5.1
219.06557	3.8
219.10228	1.3
221.08080	3.8
221.11763	1.3
225.09109	1.2
226.09865	2.0
227.10677	13.4
228.11337	2.5
229.08601	4.1
229.12267	2.3
230.09369	1.5
231.06534	5.0
231.10086	4.9
241.08595	4.8
241.12221	2.6
242.09142	1.1
243.10179	6.3
244.10919	1.1
244.22815	2.1
245.08119	2.4
245.11694	8.9
247.09540	1.1
249.11308	1.3
254.09462	1.3
255.10129	16.6
256.10895	17.3
257.11700	5.8
261.11224	2.5
263.12799	6.4
264.97729	1.0
265.14435	2.1
267.10236	1.1
269.11612	8.2
270.12292	1.0
271.09702	2.4
271.13303	3.0
273.11182	8.3
274.11945	1.9
275.12769	10.8
277.14484	1.3
279.10358	1.2
280.10840	1.4
283.09381	1.1
283.26270	4.2
284.26761	1.4
287.12781	1.0
289.14508	1.1
291.12286	39.1
291.15573	1.9
292.12787	1.1
293.11768	1.2
295.09552	1.4
297.11276	8.3
299.12781	1.3
307.09811	2.0
307.13269	3.0
315.12460	2.0
323.09201	1.5
325.10931	1.2
325.14362	1.8
331.13275	1.5
333.11371	1.4
335.12848	1.2
339.12338	1.2
343.11935	1.7
347.43103	1.0
349.14380	2.4
351.12286	1.3
353.13940	2.3
359.12671	1.5
359.16617	1.1
362.11224	1.7
367.15506	2.8
370.10480	1.5
375.12296	1.0
376.13025	2.0
377.13788	3.9
379.11621	8.5
386.15356	1.2
387.15942	0.9
395.14816	16.1
397.13046	3.6
399.12210	1.4
401.17438	3.3
405.12836	1.2
411.15933	1.2
412.15695	1.3
413.15912	15.6
414.14816	4.0
417.13458	4.3
419.18491	5.1
422.13416	2.0
429.17099	5.5
432.15649	2.5
435.14374	1.3
437.19702	1.5
447.18039	20.2
447.24289	1.2
448.18408	1.7
455.20642	3.2
465.19083	74.1
466.19382	6.0
483.20139	100.0
484.20407	9.4
500.46869	6.5
501.21173	69.0
501.33301	1.9
501.46216	4.6
502.21613	6.9
520.90698	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05479	2.2
57.07053	1.4
66.93974	0.5
67.05494	4.4
69.03399	0.9
69.07065	4.9
69.19441	0.8
69.19839	4.0
71.04987	1.1
77.13161	0.5
79.05483	3.5
81.07050	10.2
81.59962	0.5
83.04948	2.0
83.08585	2.1
85.06496	1.2
88.22655	0.5
91.05476	4.3
93.07031	6.9
95.04937	1.1
95.08591	10.2
96.27705	0.5
97.06493	1.3
97.10135	1.5
105.06343	0.6
105.07019	9.2
107.04922	0.6
107.08591	9.3
109.06456	1.6
109.09529	0.5
109.10147	6.0
111.04408	0.5
111.08092	2.9
117.06959	2.3
119.08570	10.6
120.09007	0.6
121.06435	1.6
121.10155	8.5
123.08003	2.1
123.11671	3.5
125.09634	0.8
129.06937	1.6
131.08553	4.9
133.06409	0.6
133.10121	8.6
135.07993	2.1
135.11673	5.7
137.09569	1.8
137.13202	2.8
139.07527	1.3
143.08556	2.7
144.08932	0.7
145.10112	6.6
147.07942	2.4
147.11668	5.0
149.09587	1.3
149.13171	2.1
149.70792	0.6
151.07489	0.9
151.11145	0.9
153.09076	1.2
155.08516	0.9
157.10130	2.7
159.07970	1.3
159.11668	4.6
161.09612	3.4
161.13219	5.3
161.90623	0.6
163.11197	4.0
163.14726	2.3
165.08942	0.8
165.12717	0.7
166.07648	0.7
169.10060	1.7
171.11699	3.3
173.09576	0.7
173.13225	4.4
175.11087	1.5
175.14806	7.2
177.12654	1.9
177.16348	2.7
179.10538	0.8
179.14224	2.3
181.10023	0.9
183.11594	1.7
185.13155	2.2
187.11102	1.2
187.14822	8.3
189.12646	2.1
189.16359	4.8
191.14236	1.3
191.17873	0.8
193.15758	1.1
195.11642	0.7
197.13181	1.5
199.11047	0.8
199.14709	3.3
201.12630	2.1
201.16408	2.9
203.14192	2.0
203.17886	0.8
205.12183	1.1
205.15749	0.8
205.87306	0.5
209.13182	0.9
211.14706	0.7
213.12823	1.1
213.16211	1.6
215.14136	1.8
215.17856	0.9
217.12195	0.8
217.15758	2.2
219.13744	0.7
221.15218	1.1
225.16272	1.1
227.14279	1.4
227.17801	1.7
229.15694	0.8
229.19296	0.6
231.13675	1.1
233.15407	0.8
235.16727	0.7
239.17775	1.5
241.15797	0.9
241.19353	0.8
243.17296	1.4
245.15291	0.9
253.19476	0.9
255.17313	1.0
257.18765	0.8
259.13113	2.1
273.18332	0.9
289.17752	0.9
291.19595	0.7
309.20200	0.6
335.23328	1.3
335.27023	1.3
349.28409	1.1
351.26614	1.7
353.28149	1.7
367.29669	2.5
369.24017	1.1
381.27908	1.0
383.24756	0.7
391.30099	0.6
395.29758	3.2
397.26578	0.7
399.28949	3.8
409.30536	1.7
411.32413	1.1
413.30579	5.9
419.29242	1.5
423.28476	2.0
429.29529	0.6
437.30670	5.1
441.29996	17.4
442.29840	1.5
447.31039	2.6
455.31665	7.8
456.31625	0.9
465.30457	3.4
483.31036	36.2
484.31470	3.8
501.27658	100.0
502.21698	0.8
502.28094	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	501.3209
Annotation	6alpha-Hydroxylup-20(29)-en-3-oxo-27,28-dioic acid
Peak:m/z	Relative Intensity
52.30799	0.8
53.03954	1.2
55.05512	4.5
57.07084	1.2
59.04989	0.8
64.36942	0.9
67.05494	7.4
69.03416	1.9
69.07056	5.1
69.43579	4.6
70.27399	0.8
71.05008	1.0
79.05488	6.2
80.67514	0.7
81.03414	1.5
81.07050	13.1
83.04972	5.2
83.08606	3.1
85.02920	1.4
91.05460	7.5
93.07045	13.0
95.04958	4.5
95.08607	11.3
97.02882	1.1
97.06528	2.8
97.10159	2.7
99.04416	1.1
105.07021	12.8
106.79916	1.0
107.04940	1.7
107.08579	12.5
109.06499	3.1
109.10150	10.9
109.24317	1.0
111.08082	2.9
115.05471	1.9
117.07006	7.1
119.08577	12.5
121.06493	2.5
121.10143	12.8
123.04404	0.9
123.08065	2.3
123.11658	5.1
125.05994	1.1
125.09650	1.7
128.06216	1.7
129.06975	5.9
131.08553	9.0
133.06514	1.5
133.10121	13.5
135.08080	2.5
135.11710	7.0
137.05931	1.6
137.09604	2.3
141.06995	1.7
142.07793	1.8
143.08548	13.3
145.06500	2.1
145.10127	10.3
147.08131	1.6
147.11702	5.2
149.09637	3.0
149.13246	1.9
151.07591	1.1
151.11165	2.5
155.08531	4.1
156.09277	1.3
157.10101	7.8
159.08018	2.8
159.11687	8.1
161.06027	1.4
161.09618	2.8
161.13260	3.9
163.07597	1.3
163.11113	2.1
163.14888	1.1
165.06944	1.5
167.08563	2.5
168.09309	1.6
169.10129	6.2
171.08057	1.7
171.11659	8.6
173.09593	1.9
173.13252	10.1
173.63762	0.9
175.11180	2.4
175.14822	5.4
177.09123	1.5
177.12663	1.4
177.16402	1.5
178.09879	1.3
179.08545	1.6
181.10120	2.1
183.07996	0.9
183.11610	6.2
185.09578	2.8
185.13249	8.2
187.11229	2.0
187.14790	5.8
189.12686	1.4
189.16373	3.9
191.14331	2.0
193.15845	1.2
195.11700	3.3
197.09579	1.5
197.13234	4.4
199.11136	2.3
199.14812	2.6
201.12671	2.5
205.10176	1.2
205.15839	2.2
206.10806	1.2
207.11694	3.5
209.13272	3.4
211.11160	2.9
211.14806	1.5
213.12737	7.0
213.16249	1.0
215.07062	1.4
215.14311	3.7
217.12099	1.1
219.11578	1.3
220.12389	1.1
221.13214	1.2
223.14787	2.5
225.12782	1.4
225.16382	1.9
227.14270	2.2
231.13786	2.3
233.15344	1.9
235.14973	1.9
237.16580	1.6
239.17883	1.9
241.15833	1.7
243.17401	1.1
249.16545	1.5
251.16383	2.1
253.15750	1.3
259.13257	2.5
267.17404	2.8
281.18823	1.1
303.23270	1.7
311.09189	0.9
313.17960	1.2
339.12128	1.6
401.28317	3.4
419.29376	4.9
425.30936	1.3
437.30527	15.4
447.28619	2.9
455.31738	8.7
465.29846	4.4
483.31033	100.0
484.31445	9.7
501.20502	1.3
501.32257	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	501.3209
Annotation	24-Hydroxychiisanogenin
Peak:m/z	Relative Intensity
53.03949	1.7
55.05501	7.8
57.07070	2.6
65.03933	1.9
66.94367	1.6
67.05508	16.3
68.12530	1.6
69.03413	2.3
69.07053	11.4
69.62331	3.3
69.62743	5.9
71.04968	2.4
79.05477	11.9
81.07053	24.1
83.04977	4.6
83.08610	6.2
85.02885	1.6
85.06538	1.9
91.05445	9.3
93.07038	19.0
94.99038	1.5
95.04980	2.7
95.08598	31.2
96.08907	2.2
97.06531	2.8
97.10144	3.5
105.07022	22.7
106.23831	1.6
107.04894	2.4
107.08585	22.8
109.06517	3.4
109.10133	15.0
111.08083	2.6
117.07038	3.5
119.08575	30.0
121.06510	4.7
121.10128	18.0
123.08059	6.5
123.11704	5.5
125.05950	2.3
125.09631	5.0
131.08539	12.3
133.10114	18.6
135.08058	7.2
135.11690	11.4
137.09616	3.2
137.13240	5.1
139.07480	1.8
139.11188	2.6
143.08540	8.9
145.10124	19.1
147.08112	5.4
147.11714	9.5
149.09630	4.1
149.13243	7.1
151.07507	3.8
153.09091	2.3
155.08522	3.4
155.21765	1.7
157.10152	5.0
159.08008	2.4
159.11687	9.3
161.09592	8.0
161.13239	12.9
163.11147	10.7
163.14841	5.2
165.12721	2.4
167.10768	2.1
169.10114	4.8
171.11668	8.0
173.13193	10.0
174.13542	2.0
175.11162	3.5
175.14819	17.6
177.12712	4.8
177.16422	2.7
179.14285	4.0
181.10165	2.8
181.12029	1.8
183.11676	5.0
185.13286	8.0
187.11156	4.0
187.14810	15.6
189.12825	4.0
189.16365	10.3
191.14304	2.1
195.11618	2.1
197.13203	3.7
199.11275	2.0
199.14864	7.1
201.12720	3.5
201.16403	6.5
203.14281	3.2
207.13951	1.7
207.17401	2.3
209.13316	3.2
211.14825	3.7
213.12747	4.0
215.14369	5.1
215.17902	2.2
217.12302	2.1
217.15858	3.8
219.13840	2.3
221.15425	3.4
223.14784	2.3
225.16364	2.9
227.17961	3.3
229.15884	2.1
231.13708	2.2
231.17363	2.0
233.15431	2.2
235.16924	2.6
239.14207	2.4
239.18008	3.2
241.15630	2.4
241.19518	2.7
243.17516	1.9
245.18849	1.9
255.17412	4.0
271.16803	2.0
272.51004	1.8
273.18417	1.9
289.17728	2.1
291.19464	1.8
306.13907	2.0
309.20895	2.8
335.23651	3.3
335.27295	2.5
339.22827	2.0
351.26614	4.0
353.28387	5.5
367.29929	4.0
369.24084	2.4
381.27802	2.4
391.30310	2.0
395.29385	4.8
396.26483	2.5
397.27252	2.9
397.54892	1.6
399.28824	7.9
401.28363	1.9
413.30563	13.0
414.31210	1.7
419.29663	5.7
423.28769	2.5
429.30032	2.4
437.30307	10.8
438.30817	2.0
439.32224	3.0
441.29962	30.0
447.30734	6.1
455.31635	20.3
465.29999	11.5
476.16437	1.8
477.70764	2.0
483.31073	100.0
484.31573	11.1
501.27448	18.7
501.32056	30.2
502.31949	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	501.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	2.6
53.03945	6.3
55.01865	11.7
55.05511	68.2
57.03431	2.6
57.07078	2.8
59.04995	3.9
65.03932	4.2
67.05502	88.8
69.03429	8.2
69.03913	1.7
69.06711	2.8
69.07069	45.4
71.04992	11.1
71.32151	2.1
79.05489	91.8
80.05832	2.3
81.03412	5.2
81.07056	100.0
82.07414	1.7
83.04988	12.4
83.08615	34.4
85.06537	5.1
91.05477	58.6
91.06056	2.9
93.07041	78.2
95.04963	10.7
95.08604	88.7
96.08961	2.4
96.59778	1.8
97.06526	16.8
97.10164	62.5
101.02374	2.5
105.07028	74.4
106.07343	3.0
107.04980	4.0
107.08588	77.0
109.06524	13.4
109.10150	38.1
111.08098	13.7
111.11670	2.6
113.05949	2.6
117.07018	18.8
119.08576	79.9
120.08882	3.5
121.06499	8.5
121.10135	68.0
121.10985	3.5
122.10468	2.4
123.08060	68.0
123.11693	12.7
124.08411	2.1
125.06010	2.4
125.09625	50.5
125.10514	3.5
128.06232	2.5
129.06999	11.1
131.08572	25.1
133.06506	7.8
133.10118	31.9
135.08066	18.0
135.11685	39.0
137.06021	3.9
137.09610	30.7
137.13225	10.5
139.07524	4.0
139.11180	18.8
141.06950	3.2
141.09094	4.0
143.08557	15.9
143.10713	2.3
145.06415	3.0
145.10121	25.7
147.08057	16.4
147.11703	18.3
149.09590	13.4
149.13252	11.7
151.07542	32.9
151.11093	4.2
153.09106	26.9
153.12729	6.3
155.08527	4.4
157.10083	17.0
157.12192	2.6
159.11694	18.0
161.09627	9.5
161.13246	15.3
162.37090	1.8
163.07556	2.9
163.11151	5.3
163.14767	9.2
165.09140	12.8
165.12744	3.8
169.10153	6.4
170.10924	2.6
171.08098	2.6
171.10184	5.0
171.11676	17.3
173.09630	4.8
173.11938	3.5
173.13228	14.4
175.11186	7.9
175.14821	15.9
177.09212	2.3
177.12723	3.8
177.16360	4.1
179.08647	1.7
179.10661	5.8
179.14310	3.6
181.10106	2.3
181.12230	2.4
183.10205	4.3
183.11713	5.4
185.13292	8.5
187.09692	5.4
187.11221	3.6
187.14890	8.7
189.11215	48.0
189.12733	5.0
189.16408	4.3
191.14304	14.1
193.12323	2.8
193.15889	7.1
195.11682	2.9
197.13271	3.8
199.11092	2.2
199.14825	6.7
201.11214	15.3
201.12781	4.1
201.16376	3.7
203.14383	6.2
207.13789	3.4
209.13306	4.6
211.14838	4.6
213.16415	3.5
215.14247	3.1
215.17982	2.2
217.12250	2.7
217.15880	4.9
217.19446	3.1
221.15422	4.2
225.16409	2.7
227.17920	4.2
233.15369	3.1
237.14676	4.0
239.18051	3.6
241.19569	11.6
249.14938	2.4
255.17493	3.8
259.17029	4.5
259.20560	14.4
263.20062	2.4
265.21667	3.5
269.18900	2.2
271.16940	2.4
273.15732	2.7
273.18478	11.9
275.20096	3.2
277.18173	6.2
277.21597	60.1
278.21918	2.4
279.23178	5.6
291.19476	15.7
295.19299	4.4
295.22632	48.6
296.23111	3.2
297.24207	3.9
299.16385	2.2
299.19611	1.7
309.20718	10.2
313.23822	4.1
315.23013	2.5
327.21664	5.7
337.10516	2.7
383.29373	4.5
391.45718	1.9
393.27737	8.2
401.30334	5.8
411.28931	23.1
419.30460	6.5
429.29974	65.2
430.30231	5.3
437.30759	11.0
441.29852	3.7
447.31076	89.9
448.31250	8.1
455.31683	8.9
465.32117	49.7
466.32254	4.8
483.31210	25.5
484.31674	2.6
501.18176	2.1
501.24704	7.2
501.33453	38.8
502.32935	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05246	2.8
53.03934	7.8
55.01872	12.9
55.05259	5.5
55.05508	71.1
57.03437	7.5
59.04997	5.5
60.52796	3.4
65.03954	4.0
67.05502	87.1
67.05866	5.2
69.03432	9.4
69.07062	49.1
69.44481	8.3
69.44891	10.6
71.04984	12.7
79.05489	95.3
79.72453	2.9
81.03400	7.2
81.07055	82.7
83.04966	16.4
83.08611	40.6
85.02897	3.4
85.06537	15.7
85.34814	2.9
86.57353	3.1
91.05476	66.5
92.05793	3.3
93.07039	81.8
95.04965	10.1
95.08603	89.4
97.06523	18.8
97.10166	67.6
98.22662	6.3
99.08077	6.6
105.07027	77.1
107.04966	5.1
107.08591	95.3
108.08936	3.9
109.06548	15.4
109.10154	44.3
111.04433	3.8
111.08088	12.1
115.05515	4.0
117.07015	26.9
119.08578	100.0
120.08892	3.6
121.06504	9.0
121.10136	75.0
122.10487	4.1
123.08058	51.6
123.11684	16.2
125.06043	3.2
125.09625	62.9
128.06168	5.5
129.06993	15.7
131.08553	49.2
133.06490	11.6
133.10118	45.0
135.08055	28.2
135.11690	39.8
137.06032	5.2
137.09612	30.6
137.13243	6.1
139.11200	12.9
141.06961	6.6
143.08580	25.4
145.06476	3.3
145.10095	39.6
147.08044	23.8
147.11679	27.3
149.09602	24.6
149.13242	15.7
151.07529	24.9
151.11136	4.7
153.09055	22.5
153.12764	10.0
155.08539	7.5
155.10678	7.3
156.09419	4.2
157.10146	25.6
157.12257	4.0
159.08028	5.8
159.11699	29.0
161.09567	16.8
161.13263	22.6
163.11182	9.6
163.14821	13.3
165.09120	10.2
165.12738	3.8
167.10634	5.0
169.10178	4.9
171.08057	5.0
171.10280	6.4
171.11667	28.0
173.09650	8.0
173.11807	7.2
173.13197	31.1
175.11214	10.0
175.14813	34.7
177.09073	4.3
177.12814	9.7
179.10683	4.7
179.14348	5.8
181.10106	4.5
181.12244	4.2
182.10704	3.3
183.11699	8.2
185.09500	3.5
185.13283	20.1
187.11162	4.2
187.14784	15.7
189.11223	59.6
189.12769	8.8
189.16422	9.1
191.14372	10.6
191.17993	3.8
193.15880	13.0
194.79044	3.2
195.11772	5.5
195.13858	2.8
197.13286	5.9
199.14854	10.2
201.12747	7.8
201.16388	5.8
203.10757	4.1
203.14383	10.7
207.13812	11.2
209.13297	3.1
211.14864	3.7
213.12712	5.4
213.16304	6.4
215.14330	12.6
217.15883	9.2
221.15370	3.9
229.15901	5.4
231.13867	3.8
231.17509	7.3
233.15384	8.2
235.16920	5.7
237.16525	3.7
241.19455	21.3
245.15334	4.1
247.17015	4.3
257.19064	3.9
259.17075	5.7
259.20599	17.7
264.39957	3.6
266.22559	3.9
273.18445	10.6
275.20132	12.6
277.21634	66.6
291.19577	5.8
293.21188	12.7
295.22772	28.1
345.24100	4.7
352.52020	3.1
383.29379	4.8
393.27823	12.4
401.30719	5.0
411.28958	25.3
419.30243	10.2
429.29999	94.5
430.30255	11.9
437.30630	14.8
447.31104	70.3
448.31473	6.8
451.67438	3.5
455.31586	13.6
465.32138	28.6
466.32233	3.9
483.31271	33.0
484.31143	4.0
501.20810	51.5
501.32092	68.5
502.21387	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	501.3417
Annotation	Discarine E
Peak:m/z	Relative Intensity
52.84404	1.7
53.03945	6.6
55.01863	9.2
55.05511	62.1
57.03432	3.1
57.07080	3.5
59.05000	3.6
62.18501	2.0
64.70087	1.9
65.03934	3.8
67.05504	75.7
69.03419	9.0
69.07067	46.0
71.04993	7.6
71.31543	2.7
79.05491	80.1
81.03395	2.3
81.07057	100.0
83.04971	12.9
83.08614	38.1
85.02913	3.2
85.06536	6.4
91.05481	48.6
93.07043	77.5
95.04962	8.8
95.08604	77.6
95.13982	1.8
97.06514	14.4
97.10165	53.8
103.05428	2.0
105.07026	65.3
107.08594	68.7
109.06510	13.1
109.10145	33.0
110.58959	1.8
111.08074	9.0
111.11725	3.4
113.86546	2.5
117.07037	16.5
119.08578	68.2
121.06499	7.4
121.10146	63.7
123.08072	67.4
123.11677	15.6
124.08466	2.7
124.79723	2.1
125.09633	46.6
128.06197	2.7
129.07018	12.1
131.08560	21.9
133.06465	8.6
133.10130	27.4
135.08063	20.6
135.11696	33.4
137.09612	31.9
137.13239	8.8
139.07550	2.2
139.11136	10.8
141.09108	3.8
143.08539	12.4
145.10123	19.8
147.08055	16.1
147.11676	20.5
149.09650	11.2
149.13257	9.1
151.07541	33.2
151.08727	2.5
151.11179	4.7
153.09113	31.9
153.12776	6.6
155.08582	3.0
155.10646	3.0
157.10207	11.1
157.12189	3.3
159.11697	18.9
161.09634	9.3
161.13310	10.3
163.07518	2.4
163.11145	5.3
163.14813	5.8
165.09120	10.5
167.10625	3.6
169.08604	4.4
169.10097	4.4
171.10201	5.3
171.11714	12.4
173.09683	2.3
173.13243	12.5
175.11235	4.1
175.14799	13.1
177.12708	5.6
179.10696	4.2
181.10120	3.0
183.10275	4.3
185.13261	9.0
187.09641	5.6
187.11176	3.0
187.14914	3.4
189.11224	47.4
189.12772	5.9
189.16391	4.5
191.14270	6.4
193.15848	4.6
195.11723	2.5
197.13222	4.0
199.14795	4.4
201.11221	15.1
201.12767	2.9
203.14343	3.6
207.13824	4.2
209.13263	3.7
213.16354	2.7
215.14330	4.1
217.19510	3.3
221.15601	2.4
227.17998	2.9
231.21022	2.7
239.18013	2.4
241.19553	11.4
255.17494	3.3
259.17084	2.2
259.20483	12.8
273.18381	10.1
275.20132	3.7
277.18451	3.9
277.21606	53.0
278.21893	4.2
279.23151	3.6
291.19586	12.8
295.19373	4.4
295.22681	47.3
296.22946	4.2
297.24289	2.8
307.18640	4.1
309.20651	8.5
313.20163	2.6
313.23758	4.7
327.21591	4.8
383.29465	3.4
393.27863	7.1
401.30603	3.7
411.28992	23.5
419.31180	4.8
429.29962	60.4
430.30191	4.1
437.30414	5.0
447.31049	79.3
448.31348	6.2
455.31696	4.9
465.32205	36.5
466.32358	4.3
483.31213	12.5
501.24826	12.8
501.33966	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79363	2.2
53.03945	3.3
55.01865	3.5
55.05511	55.5
57.03440	32.0
57.07074	56.3
59.04995	4.0
67.05504	70.1
67.05857	4.8
69.03452	2.6
69.07067	78.5
69.65736	13.6
70.28066	2.5
71.04990	6.7
71.08633	38.7
73.06553	3.0
75.04086	2.5
75.04478	13.0
76.71521	2.3
79.05487	29.3
81.07053	91.2
83.04988	7.8
83.08612	56.2
83.09084	4.4
85.06536	6.1
85.10181	20.6
85.84053	2.1
91.05474	12.2
93.07046	40.7
95.04960	2.8
95.08603	100.0
96.08932	2.4
97.06523	17.9
97.10162	40.7
98.23306	3.8
99.08076	2.8
99.17328	2.3
103.26476	2.5
105.07030	11.3
107.08588	34.1
109.06512	3.2
109.10145	45.3
111.08056	14.3
111.11718	14.6
112.48478	2.1
113.05969	2.7
113.13309	3.0
115.07533	2.5
119.08561	15.3
119.16407	2.8
121.10139	41.0
123.11707	22.1
125.09617	12.5
125.13243	3.6
129.09132	3.7
131.07082	6.7
131.08582	5.4
133.10127	6.8
135.08014	3.3
135.11673	33.8
135.12637	3.6
137.13269	6.7
137.95612	2.9
139.11203	9.7
143.10658	2.9
145.10130	4.6
147.11667	6.2
149.13223	17.9
151.14850	3.8
153.12717	5.9
157.12274	3.8
159.11739	4.1
161.13307	2.8
163.14798	8.6
167.14284	6.0
175.14764	2.7
177.16458	5.8
181.15924	5.8
185.15468	2.6
189.16412	6.2
195.17404	5.2
201.16260	2.5
205.19557	3.5
209.19138	3.3
213.18565	2.9
216.90236	2.3
219.20889	2.9
223.20667	3.9
237.22021	4.1
253.70883	2.6
289.28851	8.3
299.27356	4.0
307.30017	18.6
308.30029	3.0
317.28363	18.4
335.29398	33.5
336.29776	4.5
371.31549	69.0
372.31833	3.3
409.33145	38.6
427.34164	54.2
428.34317	3.3
475.26962	2.5
483.36862	19.8
501.31097	4.3
501.38162	35.0
502.37442	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	501.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.6
55.05516	4.4
57.07087	2.8
58.06595	0.9
59.77938	0.6
62.58149	0.5
62.62671	0.5
67.05505	7.3
69.07070	7.5
71.08641	1.0
79.05490	5.7
81.07057	15.1
83.04982	1.1
83.08612	2.9
85.06529	0.9
91.05465	3.4
93.07043	11.1
95.04958	1.7
95.08607	17.2
95.09220	0.9
97.06531	1.5
97.10154	2.0
98.23434	1.1
105.07030	7.8
107.08592	16.5
109.06524	3.1
109.10156	12.8
111.08035	1.0
111.11702	1.3
115.77248	0.6
117.06987	1.3
119.08576	13.0
121.10133	10.9
121.86969	0.6
123.08068	3.1
123.11710	4.5
125.09678	1.0
131.08551	3.4
133.06522	0.6
133.10112	12.4
135.08105	0.7
135.11687	19.4
137.09616	2.1
137.13254	2.4
143.08565	1.4
145.10106	8.4
147.11682	8.7
149.09615	1.4
149.13275	4.1
151.11192	1.4
157.10182	1.8
158.10913	0.7
159.11699	5.0
161.13263	5.8
162.13702	0.6
163.11217	0.8
163.14832	6.5
165.12741	1.6
166.74637	0.6
171.11710	0.9
173.13277	4.5
175.14886	3.3
177.16396	3.1
185.13248	1.1
187.14862	2.2
189.16377	19.8
190.16881	0.6
191.17918	3.4
199.14772	1.3
200.20099	1.2
201.16360	10.0
201.18102	0.8
201.20378	0.7
203.17947	2.0
205.19536	0.8
207.17439	16.4
207.19295	1.2
208.17841	1.1
213.16348	1.7
215.17982	3.9
217.15825	0.9
217.19536	2.0
219.17424	31.7
220.17726	0.8
227.17902	0.8
229.19421	3.2
233.19034	1.6
235.20573	0.9
236.14917	2.6
241.19420	0.7
243.21181	1.5
255.21046	0.7
257.22412	0.7
265.14203	1.0
269.22681	2.3
273.22229	0.9
284.26907	1.1
301.25342	0.9
388.76932	0.7
405.35071	1.4
423.36133	4.8
441.37265	100.0
442.37665	7.7
501.40073	0.8
501.46756	3.9
502.40924	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.7
53.03942	2.8
55.05524	0.4
58.70435	0.3
66.39755	0.3
67.05516	0.7
68.99787	0.3
69.03437	0.7
70.06583	0.5
71.34103	0.4
77.03916	0.7
79.05502	2.5
81.03417	1.7
92.02634	1.1
93.07029	0.3
95.04959	3.4
95.08600	0.4
96.08100	0.3
96.72298	0.3
97.02889	0.4
105.03387	0.5
105.04520	1.1
105.07047	0.6
107.04961	1.1
107.28090	0.3
109.02878	0.8
111.04411	0.4
113.46887	0.3
119.08547	0.4
121.02847	0.4
121.06458	0.5
123.04421	2.2
127.03951	0.6
132.04439	9.6
133.04762	0.4
135.04407	100.0
136.04742	3.2
137.05984	1.8
140.50337	0.3
145.02782	0.3
147.04402	0.5
153.01810	1.2
153.05478	2.8
160.03943	0.7
161.05946	0.3
163.03912	1.4
163.07509	0.3
165.09125	0.4
175.07454	0.3
178.04984	64.0
179.05328	2.2
186.70026	0.3
205.04671	0.3
206.04477	87.4
207.04816	3.7
229.04927	0.4
245.04430	0.8
279.08600	1.2
297.09793	0.5
483.98380	0.3
502.12836	0.5
502.23724	0.3
503.13986	1.0
503.20667	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50199	0.8
53.03948	2.5
54.56603	0.7
55.01868	1.1
57.03420	1.4
61.02923	1.1
63.39688	0.8
69.03427	9.1
69.64212	4.7
71.04998	2.3
73.02943	0.7
79.01855	2.9
81.03414	13.5
85.02911	9.1
89.02159	0.7
97.02892	7.3
99.04449	3.6
107.01305	1.3
107.76103	0.8
109.02872	4.8
125.02337	3.3
127.03922	9.5
139.03920	2.0
143.03438	4.4
145.04977	3.7
153.01823	100.0
153.02852	4.3
154.02145	2.6
161.07138	2.9
163.08739	2.1
171.02881	10.8
171.06453	1.8
189.06606	1.9
191.08266	1.8
194.05231	0.8
207.07639	33.5
255.05035	2.0
261.07611	1.6
276.18109	0.9
277.84702	0.9
279.08780	1.0
297.05994	8.8
315.07095	9.7
323.12378	10.7
341.13376	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	502.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02882	0.9
53.03936	1.5
55.05512	9.8
57.03427	1.9
57.07080	12.2
61.02930	2.6
62.06413	0.8
67.05508	1.7
67.35310	0.8
67.50874	0.9
69.03423	5.6
69.07069	100.0
69.35320	5.6
70.07407	1.7
70.36918	0.8
81.03413	2.6
83.08619	40.2
84.08924	0.9
85.02903	26.3
97.02901	7.4
97.10163	1.9
99.04460	1.3
105.07014	1.2
107.04886	1.1
109.02888	2.0
115.03021	0.9
125.13287	7.3
127.03922	4.4
134.70061	0.9
135.04408	1.2
137.06029	1.1
143.14317	20.2
145.04961	7.4
153.01862	1.0
161.06044	0.9
161.15373	84.0
162.15636	2.1
163.06052	3.5
195.35510	1.1
206.04425	1.3
328.94830	0.9
340.11862	1.7
502.22983	2.8
503.20645	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	502.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.8
55.01855	4.1
55.05513	50.1
57.03430	12.1
57.07063	15.0
67.05150	4.0
67.05502	55.0
69.03419	4.9
69.06696	3.6
69.07067	52.6
69.13732	6.5
69.14143	12.8
70.78114	2.0
71.04980	5.6
71.08617	6.6
79.05484	26.3
81.06567	3.2
81.07052	65.3
83.04977	6.1
83.08615	36.0
85.06546	3.9
85.10152	4.2
88.07677	2.5
91.05445	13.6
93.07040	34.5
95.08604	56.3
97.06522	10.0
97.10165	39.0
97.23174	2.2
99.08107	2.7
105.07022	10.8
107.08587	25.8
109.06495	2.9
109.10152	30.5
111.08085	3.8
111.11700	4.0
117.07020	3.8
119.08575	14.7
120.95753	5.4
120.96634	100.0
121.10130	29.3
123.08041	3.1
123.11727	9.2
125.09635	23.8
131.08583	7.6
133.10133	9.8
135.08067	5.9
135.11697	14.8
137.09589	4.2
137.13260	2.5
139.11201	4.7
143.08546	3.6
145.10104	10.6
145.99806	7.2
147.11719	8.3
148.12076	2.3
149.09583	4.1
149.13278	8.2
151.11163	3.2
153.09088	10.3
157.10075	3.5
159.11687	6.9
161.13255	6.2
163.14806	5.0
164.00830	87.1
167.10660	5.3
171.11681	3.1
173.13266	3.8
174.86543	2.2
175.14825	5.7
177.12793	2.3
185.13347	2.7
187.14851	4.4
189.11192	20.2
189.12630	2.9
189.16312	2.4
195.00327	7.0
203.12737	2.2
208.67126	2.9
213.16226	3.3
229.19591	2.7
243.21248	2.7
261.22067	11.2
275.19879	11.1
279.23160	40.5
293.21136	22.5
297.24255	52.4
298.24353	3.3
311.22098	8.3
339.28915	59.6
340.29221	5.5
361.27209	11.6
413.30750	3.3
421.31024	4.9
424.32877	4.7
431.31528	20.3
439.31818	3.0
449.32632	19.2
459.24765	95.8
460.24918	8.6
467.33212	8.3
498.54233	2.5
502.28738	36.8
502.38544	6.4
503.28802	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	502.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	91.6
67.05182	12.2
67.05499	100.0
69.07079	50.9
69.14874	17.7
69.15292	44.3
71.05002	7.8
79.05494	63.1
80.16608	6.4
81.07058	84.0
83.04968	12.0
83.08619	48.4
85.06560	9.2
91.05477	26.8
93.07031	56.1
95.08607	77.6
97.06560	9.6
97.10166	77.6
105.07031	27.5
107.08582	56.7
109.10140	43.1
111.08096	11.9
117.07001	17.5
119.08574	25.1
121.10139	28.6
122.10448	10.1
123.08067	9.3
123.11668	13.8
125.09611	56.2
131.08571	15.8
133.10107	26.0
135.08051	11.2
135.11707	24.5
145.10120	18.1
147.11652	18.0
149.09579	10.1
149.13266	12.6
153.09070	11.4
159.11667	16.9
161.13283	15.1
161.25983	8.1
163.11192	8.7
171.11664	9.1
173.13237	9.0
175.14815	11.3
189.11212	64.2
195.00290	11.8
243.21107	13.7
261.22067	19.4
279.20309	13.0
279.23138	95.5
293.21136	7.6
295.22928	7.3
297.24252	63.8
413.30490	13.6
421.30975	13.1
431.31491	76.3
449.32553	32.6
467.33658	44.1
502.38373	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	502.41
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91310	1.4
53.61325	1.6
55.01867	1.7
55.05517	1.9
57.03434	8.1
57.07081	8.3
58.06333	2.8
58.06602	38.5
59.07384	14.3
60.08154	13.1
67.05501	6.8
69.07065	4.2
71.08629	7.2
75.04483	4.7
79.05489	2.6
81.07076	8.7
83.08611	1.9
85.02910	2.2
85.10184	3.2
87.04466	3.9
93.07034	3.1
95.08619	6.5
96.36922	1.6
97.10148	2.2
107.08624	2.2
109.10176	3.1
131.07060	2.7
137.10867	1.4
144.10204	9.5
179.08163	1.7
236.14926	100.0
237.15120	2.7
484.40002	24.5
502.41113	83.2
502.46594	3.0
503.41168	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	502.41
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	12.8
57.03435	15.0
57.07073	28.7
59.04980	5.5
67.05500	97.2
69.07064	9.7
71.04999	4.2
71.08631	20.1
71.26080	3.9
73.04743	3.3
79.05466	4.5
81.07045	19.2
83.08596	15.9
85.06553	4.0
85.10184	10.2
90.76154	2.9
91.05836	4.0
95.08594	18.0
97.10136	3.3
109.10145	78.5
110.10451	2.5
111.08076	2.5
119.08580	6.2
137.09567	3.7
155.10779	4.5
167.05556	6.4
173.11731	25.8
215.17899	3.1
229.14325	100.0
230.14632	5.1
237.21895	2.7
239.23775	4.7
257.68668	2.6
261.85309	3.2
266.99854	3.0
299.06232	12.6
313.27301	98.8
313.30838	5.8
314.27640	5.1
330.14548	2.8
344.97372	4.1
415.03836	4.4
467.37274	51.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.6
55.01841	0.5
55.05499	0.5
57.03406	0.9
65.03922	0.6
67.05505	4.9
69.03402	0.8
69.07043	0.9
79.05451	1.2
81.03425	3.6
81.07065	2.8
83.04961	0.6
85.02862	1.1
86.08744	0.4
91.05443	1.6
93.07018	1.4
95.04974	3.6
95.08590	1.9
97.06494	0.5
97.10190	0.4
103.05490	0.5
105.07035	1.9
107.04924	0.8
107.08566	1.6
109.02848	1.3
109.10130	1.1
111.08050	0.6
117.06959	0.4
119.08578	2.3
121.06472	0.6
121.10086	1.6
123.07983	0.6
123.11681	0.8
129.06892	0.6
131.08551	0.8
133.05562	0.5
133.06490	7.1
133.10086	1.2
133.74188	0.4
135.04413	13.5
135.11673	1.2
137.05904	0.6
137.09512	0.4
143.08470	0.6
145.10062	1.1
147.11655	0.9
148.72751	0.4
149.13228	0.8
151.03946	0.6
151.07524	0.5
153.05428	0.6
159.04385	1.3
159.11699	0.9
161.05945	1.1
161.13258	0.6
163.03902	5.5
163.11259	0.4
165.05502	0.8
168.04160	0.6
171.11714	0.6
175.11205	0.5
175.14839	0.8
177.09081	0.5
178.08461	0.4
181.04959	6.9
183.06493	0.4
187.14796	0.7
191.14401	0.5
193.04907	1.6
199.14857	0.4
201.05539	0.6
203.07010	0.5
205.04904	0.5
211.06071	0.6
211.11150	0.5
215.07013	0.5
217.04938	0.6
233.08080	0.7
235.05896	0.7
236.15511	0.4
239.10840	0.7
248.07564	0.4
252.07748	1.4
253.08611	1.1
254.09285	0.6
265.08334	0.5
267.09985	0.6
268.07471	0.6
270.08960	0.8
271.06018	0.8
280.07291	2.2
281.08026	5.7
282.08875	9.9
283.09442	1.8
289.07065	0.5
293.08148	0.5
294.08768	0.8
295.09647	37.2
296.09946	2.1
297.07642	0.8
297.11148	0.8
298.08243	2.3
305.11636	0.4
307.09518	1.6
308.10330	0.8
309.07803	1.9
309.10913	0.7
310.08347	12.7
311.09067	6.7
311.12320	0.7
312.09894	5.6
313.10690	7.9
317.11676	0.6
319.09613	1.3
320.10303	0.8
321.07495	1.3
321.11017	0.7
322.08405	3.6
323.09103	5.9
323.12540	0.7
324.09937	0.9
325.10687	100.0
326.11053	6.3
331.09586	0.9
332.10388	1.4
333.11179	1.0
334.11993	0.8
335.09161	4.4
335.12692	0.6
336.09830	1.9
337.10669	2.5
337.14276	0.6
339.12277	3.2
341.13693	0.7
347.08905	0.9
347.12790	1.9
348.09848	1.6
349.10681	2.7
350.07483	0.5
350.11478	7.0
351.12128	1.7
353.10062	0.9
355.11728	5.4
356.11835	0.5
359.08945	1.0
360.09970	0.8
363.08234	0.6
363.12537	1.9
365.10040	1.4
365.13898	13.6
366.14209	1.1
367.11868	1.8
375.12213	2.2
379.11816	1.5
383.10934	0.5
388.09448	1.9
389.10043	0.7
391.11725	10.6
392.12173	1.0
393.13391	3.2
395.11346	0.5
403.11801	8.7
404.12018	0.7
405.13483	0.4
407.11069	0.6
409.12781	21.7
410.13196	1.1
421.12805	14.4
422.13101	1.7
439.13916	16.9
439.20111	0.8
440.14200	1.1
457.14969	11.7
458.14926	0.7
485.14478	10.4
486.14716	0.9
503.15463	62.5
504.15842	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	503.1733
Annotation	Phenazostatin C
Peak:m/z	Relative Intensity
56.96552	0.5
69.03441	0.4
69.28077	2.3
71.04897	0.3
81.03450	0.4
82.36675	0.3
83.01081	0.3
85.02909	0.5
91.05782	0.4
95.01087	1.7
96.01902	0.4
98.97572	0.9
111.00659	0.3
112.01356	0.6
113.02110	2.0
120.08085	1.1
124.37399	0.4
137.33150	0.3
145.07581	0.9
153.01886	0.8
167.05568	0.5
171.06671	0.5
177.99832	0.3
178.94386	0.3
185.04221	3.3
201.03767	1.3
203.05286	0.7
205.04723	34.0
206.05049	1.2
207.07683	0.7
237.02863	0.6
249.07349	0.4
259.07907	1.0
266.07520	1.6
267.07730	0.3
305.80624	0.3
309.09229	0.4
322.14108	0.9
323.14194	1.2
341.12570	0.6
383.13013	0.8
411.12650	2.2
473.16254	0.5
503.17352	100.0
504.17654	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	503.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.3
54.68040	0.5
55.01856	2.2
57.03430	2.7
61.02925	3.4
62.20325	0.5
69.03430	18.0
69.25383	4.5
71.01347	0.8
71.04982	4.8
73.02906	1.5
76.69473	0.5
81.03419	22.0
82.03764	0.8
82.95676	0.5
85.02905	16.6
87.04444	1.4
91.03905	0.8
97.02429	0.6
97.02898	6.7
99.04449	7.0
103.12978	0.6
106.06560	0.6
106.28788	0.6
108.08089	0.6
109.02872	2.6
117.05465	1.5
123.04435	0.6
127.03905	3.6
133.07579	4.1
134.06004	1.1
135.09200	0.7
139.03839	0.8
143.03279	0.6
145.04961	2.8
146.43753	0.6
153.01826	8.5
154.02161	5.2
155.01068	0.6
161.06013	0.7
161.07117	7.3
163.08655	4.9
171.02878	0.9
178.07339	1.1
179.08145	1.2
189.06593	5.2
191.08174	6.3
207.07642	100.0
208.07976	3.2
215.08189	0.7
219.07703	1.1
231.07561	0.7
249.08632	1.4
250.51282	0.5
287.10306	0.7
298.06448	1.0
305.11261	1.9
323.12360	33.0
324.12650	1.2
341.13422	78.2
342.13797	5.1
443.08484	0.7
450.40207	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.5
55.01856	2.3
57.03434	1.7
61.02922	4.0
64.07168	1.0
68.92544	0.9
69.03433	10.5
70.04484	1.0
71.04996	1.3
73.02898	1.7
79.05480	2.2
81.03422	3.8
81.07091	1.4
84.24759	0.9
85.02908	24.2
91.05485	3.0
94.04196	4.5
97.02893	9.7
98.22562	3.9
99.04451	1.8
103.05492	1.7
107.04955	1.6
109.02911	2.8
109.06500	1.6
109.64651	1.1
110.03234	1.1
112.36005	1.1
119.04926	1.7
122.03665	7.2
123.04422	3.9
127.03912	3.7
129.06996	3.5
131.04892	1.5
137.05972	100.0
138.06326	3.6
141.06967	3.1
144.05688	2.0
145.04961	2.3
149.06006	2.2
151.03915	1.6
151.07545	9.2
153.01871	1.5
153.05510	1.7
157.06358	1.2
158.07292	2.1
163.07539	1.6
169.06444	2.0
172.05156	3.6
174.06717	7.2
175.07512	5.1
186.06601	1.3
187.07535	27.7
188.08043	1.8
189.09064	8.7
191.08638	1.7
199.07550	2.6
201.09077	14.9
203.08592	3.0
211.07593	1.0
217.08583	14.3
218.07208	1.1
219.08046	4.8
229.37370	1.4
231.08101	2.7
233.09583	2.1
237.09206	1.3
239.06879	1.2
247.07547	4.3
248.08311	3.8
251.10646	2.9
253.08694	1.3
259.07388	1.3
261.09131	1.9
263.10666	4.6
264.07849	2.1
265.08673	3.0
271.09744	2.0
276.07794	2.8
277.08560	4.0
279.10098	6.1
291.10117	9.5
292.10822	1.5
293.08295	2.6
293.11505	1.8
295.09198	1.3
296.10437	6.1
297.11047	1.9
309.11163	3.0
311.12799	12.8
323.12811	21.8
324.13138	2.2
325.14264	9.2
341.13818	8.9
350.31497	1.2
503.27487	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2486
Annotation	Platanionoside F
Peak:m/z	Relative Intensity
55.05529	5.7
57.03436	4.2
59.91027	3.8
60.86735	4.0
62.75996	3.9
67.05499	8.7
69.03430	14.9
69.07056	7.1
69.39783	29.6
71.04995	10.4
74.84325	3.8
79.05507	8.8
81.03401	7.4
81.07058	17.1
83.04990	9.9
85.02909	8.5
85.06531	5.7
85.99509	3.7
86.22995	3.6
91.05495	9.2
93.07044	14.2
94.97369	4.2
95.04951	7.4
95.08612	18.5
97.02923	7.6
99.08113	6.8
103.05424	4.0
105.07014	19.0
107.08602	24.6
109.02859	8.2
109.06505	8.0
109.10167	11.2
111.08084	5.0
116.07097	5.1
119.04924	5.0
119.08549	8.3
121.02932	6.5
121.06522	7.1
121.10146	28.2
123.08030	5.0
125.09686	9.5
127.03922	4.1
133.10104	15.8
135.08098	10.8
135.11694	5.7
135.45055	4.8
137.06010	17.5
137.09619	8.2
139.11269	4.8
145.04964	5.1
147.11708	4.8
149.05928	6.3
149.09673	12.0
149.13255	16.4
151.03902	13.9
151.07547	7.9
151.11176	65.2
163.11183	5.5
163.14819	9.7
165.12778	9.0
167.06992	5.7
173.13319	11.5
191.14308	54.0
203.06853	4.5
209.15356	100.0
219.10269	4.0
329.06366	3.9
341.10165	8.6
341.13889	13.0
374.97943	5.7
503.19135	32.5
503.25455	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	503.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.0
55.05519	6.9
57.07071	1.6
59.04985	2.1
67.05493	8.8
68.99775	1.0
69.03418	1.5
69.07057	2.8
69.27100	6.4
71.04995	5.0
71.08619	1.0
79.05473	5.3
79.74261	0.9
81.03410	3.4
81.07053	14.0
83.04980	3.2
83.08617	3.2
85.06566	1.3
91.05461	4.9
92.04709	1.1
93.07061	5.7
95.04964	3.0
95.08598	4.2
97.06516	2.1
97.10147	1.8
105.07043	3.2
105.67841	1.0
107.08591	4.1
109.06509	2.9
109.10165	2.5
111.04404	1.2
118.96024	0.8
119.04927	1.2
119.08627	2.0
121.06514	1.5
121.10126	6.2
123.04427	3.8
123.11687	1.7
127.04927	1.0
131.08559	2.0
133.06470	1.4
133.10132	3.3
135.11708	2.4
137.05966	3.1
139.11177	4.0
145.10104	2.0
147.04410	2.0
147.11617	1.5
149.09647	2.1
151.03886	2.1
151.11096	1.1
153.05438	6.8
155.03403	4.4
161.06023	1.0
165.05461	3.3
167.10692	2.6
169.01299	11.1
169.04951	17.4
175.03868	3.3
175.11220	2.2
177.05478	11.0
178.06241	3.0
179.07005	1.5
183.06554	8.2
184.09167	0.9
189.09053	1.7
191.07016	1.4
193.04958	28.2
193.12262	2.8
194.05667	3.4
195.06583	1.5
196.07365	1.1
197.08080	1.9
203.10634	3.2
207.06638	1.1
207.10191	3.0
209.15346	2.9
211.05984	15.3
212.06715	6.2
221.11694	2.5
223.05969	1.1
229.08521	1.0
231.10123	4.5
237.14799	13.4
249.11221	13.7
267.12265	100.0
268.12625	4.5
317.13718	1.0
321.17001	2.5
371.14670	2.4
399.21884	2.1
457.25793	4.0
485.25363	47.2
486.26053	4.9
503.36920	11.1
504.36444	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3339
Annotation	Val Thr Lys Arg
Peak:m/z	Relative Intensity
50.90363	0.5
53.69778	0.6
55.05502	0.7
66.25123	0.5
67.05478	0.5
69.07073	1.0
71.33685	0.5
73.67818	0.5
79.05476	0.9
81.07050	1.4
86.28540	0.5
93.07040	0.6
95.08605	1.8
97.10147	0.6
99.08067	0.5
105.07013	0.8
107.08586	0.8
109.10133	0.7
111.72855	0.5
119.08611	0.5
121.10166	0.7
131.08575	0.7
145.02821	0.6
177.05461	1.0
189.25450	0.5
240.68231	0.5
255.21893	0.5
262.56424	0.6
458.43628	0.6
465.23669	0.6
503.33380	100.0
504.33670	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	503.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	6.6
58.59600	2.3
67.05503	15.8
69.07082	11.8
71.05014	2.3
73.03303	2.2
73.92146	2.2
74.03139	1.8
74.93858	2.0
77.77100	2.4
79.05493	10.7
81.07054	28.5
83.04974	4.8
83.08614	7.0
91.05476	13.5
93.07032	24.8
94.08820	2.0
95.04980	3.8
95.08598	29.1
97.06553	5.2
97.10197	4.7
98.23358	8.2
105.07029	35.1
107.04965	2.4
107.08588	31.7
108.91280	1.9
109.06541	4.7
109.10159	16.2
111.08091	3.8
115.05355	2.6
117.07022	4.6
119.08594	37.2
121.06499	4.8
121.10109	21.0
123.08088	6.9
123.11707	5.4
124.75081	2.5
125.09611	3.0
128.06183	2.5
129.07059	3.3
131.08575	17.9
133.10124	28.4
135.08098	6.9
135.11705	12.3
137.05998	4.3
137.09650	2.4
142.07791	2.6
143.08574	9.6
145.06499	3.3
145.10136	21.3
147.08057	2.8
147.11664	14.3
149.09593	5.8
149.13289	8.6
151.03903	5.8
151.14937	2.0
155.08577	3.1
157.10112	15.5
159.08090	4.3
159.11726	17.4
161.09636	6.8
161.13280	10.2
163.07542	3.6
163.11197	3.8
163.14836	6.1
169.10156	4.2
171.11737	8.5
173.09621	2.6
173.13251	28.2
175.11229	3.5
175.14815	28.8
177.16478	2.6
179.14423	2.8
183.11705	5.0
185.13271	12.8
187.11209	2.5
187.14807	19.6
189.12781	5.9
189.16354	20.1
191.14349	5.3
191.18028	4.3
193.12181	2.3
195.11725	4.0
197.13246	5.0
199.11127	4.1
199.14844	11.7
201.11099	2.3
201.12773	8.3
201.16383	7.0
203.14371	6.2
203.18022	2.4
205.15936	4.9
207.11703	2.6
207.17406	2.8
209.13220	4.1
211.14813	6.1
213.12770	9.8
213.16312	3.5
215.14423	7.1
215.18034	2.6
217.15831	4.9
219.13905	4.7
223.14771	2.4
225.16377	4.1
225.33699	2.4
227.18021	5.4
229.15868	3.1
231.13846	4.0
233.15376	4.7
239.18010	3.0
241.15919	2.8
243.17633	4.0
257.19040	2.5
299.63831	2.2
332.88766	2.2
333.25613	2.4
345.25937	2.1
351.26895	2.6
358.30621	2.5
383.25928	2.8
391.30014	4.1
403.30145	12.0
419.29367	3.0
421.31311	14.5
431.29498	2.7
431.41769	2.3
437.30359	18.8
438.30661	2.9
439.31921	9.0
440.32602	2.7
448.60483	2.3
449.30530	78.8
450.30798	7.3
455.31308	3.4
457.33197	4.9
467.31650	74.3
468.31805	7.0
469.30545	2.5
485.32654	100.0
486.32776	11.5
503.21503	3.6
503.33740	54.2
504.33826	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	503.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02398	0.4
53.03939	0.8
55.01872	0.6
55.05513	2.6
55.34602	0.3
57.03430	0.5
59.05009	0.5
64.73593	0.3
65.03929	0.6
67.05506	3.2
69.03419	0.9
69.07070	3.3
69.18160	0.3
70.32499	0.7
71.05000	0.7
77.03956	0.3
79.05508	3.0
81.03428	1.3
81.07055	8.7
81.07514	0.7
82.07389	0.5
83.05001	0.5
83.08616	1.7
85.02909	0.6
85.06568	0.8
91.05474	4.2
93.07049	7.2
95.04986	1.2
95.08605	6.9
97.02903	0.5
97.06522	1.2
97.10176	1.3
99.08096	0.5
105.07032	11.0
107.04976	0.9
107.08588	7.4
107.09258	0.6
109.02872	0.6
109.06523	1.3
109.10159	5.0
111.08099	1.0
115.05422	0.5
117.07013	2.6
119.08581	9.4
121.06503	1.4
121.10145	6.5
122.10487	0.5
122.54127	0.4
123.04486	0.4
123.08077	1.3
123.11716	3.2
125.09645	0.6
127.03917	0.6
128.06236	0.8
129.06992	1.2
130.45850	0.3
131.08572	7.3
131.09471	0.6
133.06525	0.5
133.10127	7.0
134.28369	0.3
135.08084	1.4
135.11671	3.9
137.05978	1.0
137.09616	0.6
137.13261	0.9
139.11194	0.9
141.06998	0.5
142.07768	0.5
143.08572	3.6
144.09392	0.4
145.06476	1.0
145.10124	7.3
147.04597	0.3
147.08034	0.8
147.11662	4.2
148.12099	0.3
149.06013	0.5
149.09636	1.5
149.13272	2.5
151.07564	0.4
151.11160	0.7
155.08556	1.5
156.09348	0.4
157.10123	3.2
158.10968	0.5
159.08083	0.9
159.11703	5.2
161.06059	1.3
161.09634	1.2
161.13268	3.6
163.07597	1.5
163.11177	1.1
163.14841	1.7
165.05522	0.4
165.09175	0.5
165.12791	0.5
167.08525	0.4
168.09412	0.7
169.10072	1.7
170.10747	0.4
171.11694	2.8
173.09656	1.1
173.13271	8.6
174.13647	0.8
175.07568	0.8
175.11224	0.7
175.14839	4.6
177.12808	1.0
177.16344	1.6
181.10165	0.8
183.11681	3.3
185.09654	0.6
185.13260	2.9
187.11192	0.5
187.14816	5.5
189.12750	2.5
189.16406	1.4
191.10666	0.4
191.14333	1.2
191.17973	0.5
193.04970	0.6
195.11723	0.6
197.13232	2.8
199.14778	2.2
201.12741	6.2
201.16420	1.3
203.07063	1.1
203.14407	1.3
205.08549	1.7
205.15868	4.2
206.16226	0.4
207.17653	0.4
209.13307	0.7
211.14850	0.8
213.12764	0.7
213.16360	0.5
215.14325	1.8
215.17908	0.5
217.08678	0.4
217.15889	0.5
219.13808	4.1
223.14877	0.6
223.16956	0.9
225.16417	0.4
227.14328	0.5
227.17966	0.5
229.12268	0.8
229.15942	0.7
231.13895	0.5
233.15466	0.5
247.13312	1.4
251.17961	0.6
257.19125	0.4
261.01807	0.4
265.14468	0.5
265.19647	0.4
267.17612	0.5
269.18951	0.5
271.20541	0.4
305.24719	0.4
323.25797	0.4
341.13879	0.7
379.15421	0.4
399.29034	1.7
403.29965	0.4
421.31265	0.7
427.32117	1.0
439.32309	1.9
449.29456	0.7
457.33041	1.2
467.31131	1.1
473.32379	1.6
485.32919	3.7
503.33667	100.0
504.34006	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	503.3366
Annotation	CHEBI:69363
Peak:m/z	Relative Intensity
55.05511	5.4
57.09885	0.7
57.34260	0.7
61.52829	0.7
67.05502	7.3
69.03446	1.1
69.07064	5.4
69.48341	4.8
79.05495	8.1
81.07060	10.3
83.04986	3.6
83.08640	3.7
85.06520	1.8
91.05483	6.2
93.07050	10.9
95.04966	1.6
95.08608	17.6
97.06549	1.8
97.10241	0.9
99.88522	0.8
105.07024	17.2
105.07649	1.3
107.08594	20.4
108.08965	0.8
109.06548	3.7
109.10160	12.3
111.08074	2.8
117.07032	2.3
119.08575	25.2
121.06509	2.7
121.10143	19.8
123.08093	2.6
123.11720	3.4
125.09628	1.2
128.06230	1.0
129.07048	2.0
131.08577	10.3
132.23323	0.9
133.06490	1.3
133.10133	16.2
135.08052	4.7
135.11697	11.9
137.09647	2.6
137.13245	1.5
137.24123	0.7
139.07544	0.9
139.11246	1.0
142.07774	1.8
143.08578	6.3
144.09364	0.9
145.10132	16.7
147.08052	2.6
147.11674	8.2
149.09631	4.0
149.13307	4.7
151.11148	1.1
153.09129	1.3
155.08609	2.5
156.09373	1.2
157.10139	8.5
158.10925	1.8
159.08075	2.1
159.11681	11.8
159.12787	1.1
161.09634	5.3
161.13234	6.8
163.07430	1.1
163.11203	3.5
163.14819	4.4
167.08543	1.1
169.10170	4.0
170.10931	1.2
171.11702	6.8
172.12373	1.1
173.09599	2.0
173.13264	19.0
174.13675	1.2
175.11249	3.8
175.14833	12.7
177.08948	1.1
177.12766	1.5
177.16425	3.0
178.16734	0.9
181.10121	1.1
183.11778	3.1
185.09641	1.7
185.13255	7.6
187.11230	3.0
187.14806	11.8
189.09236	1.1
189.12798	3.4
189.16333	8.8
191.14316	5.9
191.17996	1.8
194.11067	1.0
195.11687	1.5
197.13354	4.0
199.11211	1.3
199.14822	5.1
200.11963	0.8
201.09059	0.9
201.12839	2.2
201.16466	3.3
203.14325	6.5
203.18037	0.8
205.15973	1.6
207.13857	1.0
207.17342	0.7
209.13188	1.5
211.14845	2.7
213.12781	3.4
213.16411	3.5
215.14394	3.0
217.12332	1.0
217.15938	3.2
223.14828	1.7
225.16431	3.0
227.14357	1.6
227.17909	3.9
229.15877	2.4
229.19531	1.5
230.16205	0.9
231.13794	6.5
231.17470	2.2
233.15428	1.2
235.14833	1.3
237.16389	2.1
239.14249	0.9
239.18028	1.4
241.19487	1.7
243.17494	1.9
245.15732	0.9
249.14743	1.1
251.18030	1.2
253.16347	0.8
253.19528	2.1
255.17511	1.1
255.21111	1.1
257.19101	1.4
273.18655	0.9
279.21027	1.1
281.19116	2.1
289.17856	3.6
299.20313	1.1
303.94797	0.9
307.20773	1.0
311.23743	0.9
337.25281	1.2
339.23181	1.0
351.23251	1.1
365.25052	1.1
369.24243	1.8
370.24899	1.1
375.30032	1.1
383.25864	2.8
385.28708	1.2
393.31635	2.3
397.27277	0.9
403.29974	4.7
411.24930	1.0
421.31039	7.0
429.26303	1.2
437.30634	2.3
439.32114	7.9
440.32248	0.9
449.30481	11.5
450.31070	0.9
457.33270	1.0
461.99063	0.9
467.31589	59.5
468.31747	5.9
485.32651	87.5
486.32925	9.9
503.33658	100.0
504.34048	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	503.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	6.4
59.14671	2.6
67.05509	12.5
67.27853	2.8
68.50629	2.9
69.03448	3.1
69.07061	15.4
71.33307	5.1
73.66008	2.8
79.05501	12.8
81.07048	30.4
83.04993	5.1
83.08646	7.7
85.06570	3.0
85.99425	3.1
91.05493	11.4
93.07036	22.8
95.04948	4.6
95.08609	23.1
97.06544	6.0
99.04495	3.7
99.08097	3.8
105.07030	34.1
107.08585	27.5
109.06538	4.6
109.10169	22.1
111.08114	7.2
117.07051	8.3
119.08565	45.5
119.09281	3.2
121.06483	3.4
121.10120	33.5
121.10822	2.9
123.08059	4.7
123.11737	6.4
125.09681	3.9
129.07005	3.0
131.08569	16.6
133.06468	3.3
133.10127	24.3
135.08070	9.2
135.11681	15.3
136.12029	3.3
137.06007	4.5
137.09653	6.2
137.13327	3.2
143.08582	9.7
145.10109	20.0
147.08046	5.7
147.11652	14.0
149.09625	7.9
149.13312	8.9
151.07504	3.6
151.11223	4.0
153.09113	4.1
155.08649	4.2
157.10133	14.2
159.11646	15.6
161.09686	4.1
161.13297	15.4
163.11205	7.4
163.14905	8.6
169.10222	4.0
171.11752	5.1
173.09590	4.5
173.13301	31.8
175.11223	7.6
175.14830	17.8
177.12762	4.3
177.16504	4.4
183.11678	8.1
185.09633	3.8
185.13327	9.5
187.11188	5.2
187.14861	16.2
189.12807	7.2
189.16359	20.3
191.14404	9.0
197.13362	5.4
199.14903	6.0
201.16440	6.0
203.10526	2.9
203.14404	11.4
205.15916	5.6
211.14890	6.5
213.12822	4.1
213.16455	6.7
215.14362	4.0
217.15958	4.0
217.19585	3.3
225.16374	4.6
227.17944	8.0
229.16043	3.9
231.13976	6.2
231.17502	3.1
233.15410	3.5
235.17023	3.8
239.17979	3.4
299.06265	3.3
303.03171	3.0
308.81409	3.5
352.20087	3.2
383.25790	3.4
403.29959	6.9
421.31168	12.1
421.92453	3.3
439.32202	10.6
449.30719	11.9
457.33212	6.7
467.31720	37.0
468.31909	4.9
485.32727	79.0
486.33453	5.2
503.26544	16.0
503.33789	100.0
504.33975	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	503.3367
Annotation	Dianic acid
Peak:m/z	Relative Intensity
55.05499	2.4
57.07070	0.6
67.05495	4.5
69.03428	1.7
69.07060	4.3
69.82458	2.4
71.04980	1.3
79.05476	3.9
81.07050	6.8
83.04983	3.0
83.08600	1.5
85.06537	0.9
91.05460	4.1
93.07042	7.9
95.04961	2.0
95.08599	11.0
97.06540	2.1
97.10181	0.6
105.07023	16.2
107.04934	1.0
107.08589	11.0
107.52145	0.5
109.06515	2.6
109.10149	3.6
111.08080	1.5
117.07024	2.3
117.62150	0.7
119.08570	20.1
119.09410	1.1
120.39548	0.6
121.06493	2.8
121.10132	8.6
123.08077	1.6
123.11719	1.8
125.09622	1.1
129.06973	1.8
131.08554	7.2
133.06497	0.6
133.10117	10.4
135.08035	3.1
135.11667	3.2
137.06009	0.8
137.09602	1.8
139.07597	0.6
141.06960	0.7
142.07802	1.0
143.08554	4.2
143.99464	0.6
145.10100	9.4
147.08081	2.3
147.11676	6.1
149.09587	4.1
149.13271	1.9
151.07526	0.7
151.11270	0.6
153.09134	1.2
155.08546	2.0
156.09351	0.7
157.10127	5.9
158.10788	0.9
159.08080	1.4
159.11684	7.2
161.09573	4.2
161.13271	5.1
163.07545	1.0
163.11198	2.0
163.14838	2.5
167.10825	0.6
168.09326	0.8
169.10120	1.6
170.10867	1.5
171.08003	0.8
171.11673	4.8
173.09641	1.3
173.13243	8.7
175.11136	2.8
175.14809	9.5
177.12709	1.0
177.16402	0.9
181.10161	0.8
183.11682	1.9
185.09637	0.8
185.13243	4.9
187.11182	1.5
187.14771	4.8
189.12750	2.4
189.16362	13.9
191.14290	2.2
193.15854	0.7
195.11775	1.3
197.13255	3.0
199.11151	1.0
199.14819	4.7
201.12730	2.6
201.16417	1.6
203.14313	2.1
205.12476	0.6
205.15866	1.0
207.11646	0.6
207.13695	0.7
209.13309	1.1
209.15250	0.9
211.14842	1.4
213.12817	2.1
213.16364	1.1
215.14310	2.6
217.15863	7.8
221.15454	1.1
223.14737	0.7
227.17982	2.3
229.15880	1.3
229.19640	0.7
231.13831	2.6
233.15434	0.9
235.17043	2.1
239.18066	1.0
243.17415	0.7
249.14754	2.7
253.19615	1.7
257.19144	0.7
267.15967	2.2
267.21255	0.5
271.17694	0.8
271.20654	3.2
305.22424	0.6
341.16452	0.5
349.66803	0.6
391.30164	1.4
403.29956	2.1
403.73032	0.6
409.26965	0.8
421.31088	4.7
422.31570	0.8
431.29614	1.1
437.30707	2.7
439.32281	3.4
449.30328	4.2
457.33289	4.0
467.31604	9.2
468.31952	0.8
485.32822	5.1
486.33340	0.8
503.33670	100.0
504.33994	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	503.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76003	1.5
55.05504	7.6
57.07077	2.9
64.92059	1.6
67.05511	9.4
69.03425	1.5
69.07072	11.6
71.04980	2.1
79.05489	8.4
81.07047	16.7
83.04987	3.7
83.08612	7.1
85.06557	2.4
91.05458	14.0
93.07042	21.1
95.04980	2.4
95.08605	28.4
96.08897	1.9
97.06537	4.9
97.10187	2.0
98.23321	4.0
105.07039	32.1
107.04980	1.7
107.08588	28.2
109.06528	4.1
109.10147	14.7
111.08091	4.4
117.06998	3.9
119.06154	1.4
119.08582	38.9
121.06525	4.2
121.10149	25.5
123.08071	4.8
123.11732	5.8
125.09657	2.7
129.07002	4.2
131.08566	17.0
133.10127	35.1
134.10451	1.8
135.08102	5.4
135.11697	15.6
137.09679	4.3
137.13277	1.6
139.07565	1.7
141.06854	1.6
142.07779	1.9
143.08557	9.8
145.10129	23.3
146.10725	1.5
147.08067	5.1
147.11690	18.4
149.09622	4.7
149.13274	7.9
151.07501	2.7
151.11223	2.4
153.09074	2.8
155.08560	3.1
157.10114	11.6
158.10863	2.0
159.08052	3.2
159.11678	22.8
161.09641	8.4
161.13281	13.3
163.07524	3.3
163.11185	4.8
163.14815	5.7
165.12793	2.7
167.08755	1.7
169.10133	6.7
170.10928	4.5
171.11682	12.5
173.09641	3.7
173.13242	24.9
174.13545	1.7
175.11205	4.8
175.14806	24.5
177.12723	3.5
177.16397	4.4
183.11729	7.2
185.09694	2.7
185.13277	14.8
187.11209	5.3
187.14824	18.8
189.09169	1.9
189.12732	3.4
189.16400	9.6
191.14372	3.4
195.11705	4.4
196.53490	1.6
197.13248	7.2
199.11241	2.6
199.14851	7.2
201.12817	9.1
201.16457	6.9
203.14355	5.2
203.17926	2.6
206.09421	1.6
207.11636	3.1
209.13161	3.5
211.14799	5.7
213.12773	10.2
213.16405	5.0
215.14351	5.6
215.18085	1.8
217.15891	3.6
223.14920	2.6
225.16467	4.0
226.27841	1.7
227.17958	5.0
229.15916	2.8
229.19644	2.3
231.13791	5.8
233.15388	2.3
237.16391	3.0
239.17973	4.9
241.15833	2.7
241.19527	6.0
243.17461	6.1
245.18903	1.9
249.14767	3.9
251.18027	2.2
253.19533	2.6
255.17599	1.9
257.19083	2.7
261.18631	3.5
263.18024	3.9
269.18933	2.3
271.16867	2.2
289.18243	6.0
291.20953	1.8
299.19980	2.6
313.21527	1.8
320.99356	2.0
337.25595	1.9
371.26273	2.0
375.30264	2.2
379.26108	2.0
383.25784	5.0
385.28760	2.7
391.29944	4.1
403.29892	10.8
419.29538	2.9
421.31168	13.7
431.29547	3.2
437.30487	18.9
439.32373	8.2
449.30472	100.0
450.30795	11.1
455.31732	3.5
457.33377	3.2
467.31601	83.1
468.32001	13.3
485.32645	80.5
486.32718	9.2
503.26630	3.3
503.33691	35.4
504.33774	3.2
524.97882	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3371
Annotation	CHEBI:67909
Peak:m/z	Relative Intensity
53.03949	7.8
55.01863	7.0
55.05503	29.5
57.03433	11.1
57.07071	8.8
67.05502	38.6
69.03423	19.7
69.07066	40.0
71.05009	8.3
71.32112	6.0
72.75096	4.9
73.02899	9.5
79.05480	30.5
81.03411	22.0
81.07056	90.2
83.05014	10.9
83.08635	16.2
85.02908	20.5
85.06553	9.9
87.04417	4.3
90.06353	5.2
91.05479	39.3
91.64958	4.4
93.07048	60.4
95.04964	17.8
95.08605	84.9
97.02901	11.5
97.06536	12.4
97.10162	28.8
99.04462	7.5
103.05430	6.7
105.07022	56.6
106.53874	4.5
107.04957	15.3
107.08590	59.2
109.02886	11.3
109.06522	15.9
109.10173	55.7
111.08076	9.9
111.11718	6.5
115.03934	6.1
117.07030	16.3
119.08588	73.5
121.02892	10.7
121.06516	10.2
121.10131	43.3
123.08064	11.4
123.11692	35.3
125.09644	11.5
126.64162	5.1
127.03922	10.6
129.07033	15.0
131.08546	35.5
133.06505	9.6
133.10109	43.9
135.04347	4.4
135.08038	11.3
135.11670	23.2
137.05934	23.4
137.09586	11.7
137.13226	11.4
139.11200	13.8
142.07808	5.9
143.08562	20.4
143.10687	6.4
145.06519	8.4
145.10127	40.2
147.08102	12.8
147.11711	34.3
149.05974	8.8
149.09624	10.2
149.13248	30.3
151.03900	5.5
151.07533	18.8
151.11263	8.1
157.10130	23.8
159.07970	6.1
159.11700	38.6
161.05989	43.7
161.09634	10.4
161.13176	25.3
163.07559	14.0
163.11211	10.6
163.14714	10.1
165.05467	6.1
165.09138	13.9
165.12755	6.7
167.06999	6.0
169.10149	13.0
171.11687	23.8
173.05920	5.3
173.09587	8.0
173.13246	47.8
175.07527	15.3
175.11284	9.1
175.14838	27.4
177.05545	5.6
177.09085	13.5
177.12732	9.2
177.16348	8.2
178.09901	22.9
179.08539	7.4
179.14340	5.6
183.11639	6.4
185.13275	29.6
187.11230	9.1
187.14836	29.7
189.12766	9.2
189.16383	22.1
191.06943	7.6
191.10645	6.5
191.14349	20.4
193.15874	6.6
197.13274	10.3
199.11168	4.9
199.14810	33.0
201.12601	8.1
201.16325	16.3
203.07024	31.5
203.10735	5.1
203.14377	22.8
203.17938	6.9
205.08698	8.6
205.12271	6.1
205.15857	15.2
209.15352	12.5
213.16458	9.7
215.14389	11.4
217.08693	9.8
217.15974	14.7
219.13811	5.9
221.08121	11.0
221.15298	5.2
223.16826	8.3
229.15953	9.2
231.13788	6.5
231.17558	7.7
233.15410	12.7
243.17441	4.8
245.15456	8.8
249.18407	6.2
293.24634	5.4
299.12708	9.1
305.24615	11.3
341.10132	11.0
341.13791	49.5
367.21222	5.7
395.91516	5.2
405.74515	5.9
413.26837	5.1
421.30966	16.0
431.27753	6.8
439.32101	10.9
449.29651	4.7
457.33093	10.7
467.31650	24.3
485.17105	4.9
485.32654	10.5
495.56815	5.2
503.18011	10.7
503.25165	8.9
503.33813	100.0
504.33804	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	503.337
Annotation	16alpha-hydroxygypsogenic acidid
Peak:m/z	Relative Intensity
53.03938	7.0
55.01876	4.0
55.05512	21.1
57.03399	4.3
57.07063	9.1
61.43512	2.9
64.93060	3.2
65.03940	6.3
67.05505	40.5
67.40007	2.9
69.07064	18.8
69.12969	11.9
69.13396	16.0
71.04995	5.4
75.34927	2.7
79.05491	31.8
81.07053	57.0
82.07372	3.4
83.04977	11.1
83.08624	17.4
85.06535	7.4
91.05463	26.8
92.05791	3.4
93.07043	43.8
93.14419	3.0
93.26026	2.9
95.04971	11.5
95.08606	100.0
97.06519	9.1
97.10152	11.6
99.04430	3.2
99.08113	6.0
103.05461	7.3
105.07026	52.2
107.04946	10.0
107.08592	60.1
109.06542	17.5
109.10151	39.3
110.10490	3.7
111.08083	8.6
117.07006	9.1
119.04971	3.3
119.08575	67.1
121.06510	13.3
121.10143	48.4
122.10385	4.4
123.08040	13.6
123.11703	14.4
125.09628	11.6
128.06189	3.9
129.06990	8.9
131.04961	3.3
131.08557	23.5
133.06519	6.9
133.10132	44.0
135.08052	14.0
135.11697	27.2
137.05954	30.0
137.09598	6.1
137.13277	3.3
139.11154	6.3
139.63316	3.0
142.07767	5.0
143.08594	15.1
145.06464	5.2
145.10110	39.2
147.04410	4.0
147.08063	10.3
147.11694	47.0
149.05989	5.6
149.09610	15.4
149.13242	13.8
150.06825	3.1
151.03868	8.4
151.07533	36.0
151.11183	3.7
153.09071	6.1
155.08571	5.4
156.09286	3.6
157.06516	5.1
157.10170	16.0
159.08043	6.2
159.11716	27.0
161.05962	3.9
161.09604	10.8
161.13277	22.6
163.07559	12.3
163.11186	10.7
163.14807	15.8
165.09119	21.6
165.12762	4.9
167.10667	4.2
169.10124	6.4
171.08051	8.2
171.11674	12.2
173.09657	7.7
173.13275	24.7
174.06750	5.9
175.07573	19.2
175.11217	7.0
175.14795	29.4
176.15112	4.5
177.12822	3.1
177.16371	14.1
178.16685	3.6
179.10699	4.4
179.14336	5.4
183.11682	8.3
185.13286	12.3
186.10414	8.4
187.11223	3.7
187.14824	37.6
188.08386	4.6
189.09100	18.0
189.12741	6.1
189.16365	19.3
191.10704	4.4
191.14265	7.8
193.08611	4.3
193.15919	5.4
195.08099	4.0
195.11673	4.9
197.13240	8.8
199.11198	3.8
199.14827	13.3
201.12726	4.5
201.16307	7.0
202.09830	15.2
203.10684	9.8
203.14413	8.8
205.15854	42.7
209.13203	5.7
211.14774	6.7
213.12682	3.3
213.16360	7.8
215.10619	4.6
215.14409	8.3
215.17894	5.7
217.08801	4.6
217.12257	30.4
217.15889	26.6
219.13660	4.5
221.15250	5.7
225.16389	5.2
227.10648	3.9
227.14296	4.1
227.17856	6.2
229.19490	4.8
231.13799	7.1
231.17459	4.0
233.15411	7.7
235.16878	9.2
237.14600	4.3
239.18039	3.9
241.12213	12.9
241.19664	4.0
243.17464	6.0
245.15388	5.5
249.14944	4.7
257.18878	5.1
259.13431	3.5
263.13065	4.4
263.16422	17.0
265.83542	3.1
269.18787	4.1
275.19955	6.6
277.14352	15.7
303.19586	5.1
309.22266	4.4
311.09152	4.4
313.14224	6.1
325.21570	3.8
379.14966	4.7
379.19073	5.0
393.31509	3.7
403.29807	6.7
405.30679	4.5
421.30975	20.4
439.32071	27.5
440.32520	4.1
441.33975	6.8
449.30539	13.9
451.32281	4.7
457.33206	59.1
458.33331	4.3
467.20770	4.7
467.31607	39.0
468.31989	5.9
475.20944	4.8
485.20474	4.2
485.32745	34.3
486.27802	3.8
503.20013	7.1
503.34351	65.9
504.33978	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.6
55.01873	5.3
55.05508	35.2
57.03442	4.8
57.07075	3.6
64.25468	1.6
65.03953	2.6
67.05504	74.0
69.03435	3.7
69.07067	40.6
69.36031	14.0
71.04995	8.9
77.03926	3.0
79.05489	52.4
81.03429	2.2
81.07055	89.8
82.07398	2.7
83.01440	1.9
83.04980	11.4
83.08620	22.1
85.06557	6.0
91.05477	42.9
93.07042	64.2
93.07598	4.0
95.04977	7.2
95.08605	82.5
96.08978	2.3
97.06529	15.4
97.10174	17.9
99.08121	3.4
101.06030	2.7
101.09744	1.9
103.05505	2.8
105.07029	40.2
107.04237	2.3
107.04959	7.1
107.08595	49.5
109.06519	8.9
109.10160	62.7
109.10895	3.9
111.08071	8.5
111.11725	4.1
113.06017	2.8
117.07021	13.6
119.08578	43.9
120.08877	1.9
121.06541	6.8
121.10146	54.2
121.10992	3.9
122.10477	2.9
123.04408	2.0
123.08100	6.8
123.11706	13.6
125.09644	8.8
127.11174	9.4
129.07030	8.5
131.08562	29.7
133.06532	2.3
133.10124	43.4
135.08057	11.8
135.11699	27.0
137.06000	7.0
137.09651	7.9
137.13300	4.4
139.07524	4.2
139.11172	17.1
141.06937	2.8
143.08588	11.4
145.06555	2.6
145.10107	30.6
147.08038	3.5
147.11688	24.3
149.09624	17.4
149.13243	11.1
151.03883	2.6
151.07556	3.7
151.11186	7.1
153.09106	9.7
155.08556	4.6
155.10695	3.0
156.09404	2.0
157.10095	12.3
157.12230	2.6
159.08067	5.4
159.11697	24.1
161.09607	5.5
161.13240	14.4
163.07614	3.3
163.11166	8.0
163.14775	9.1
165.09241	2.3
165.12865	4.2
167.10677	12.4
169.10155	5.7
171.11665	10.6
173.09703	2.6
173.11836	3.8
173.13280	15.4
175.09798	2.2
175.11252	5.5
175.14803	17.7
177.12732	11.3
177.16411	4.0
179.14305	2.9
183.11717	5.3
185.09610	2.4
185.13295	6.5
187.11221	4.4
187.13390	2.6
187.14851	12.9
189.11246	4.5
189.12801	6.4
189.16446	7.0
191.14293	5.4
191.18042	2.0
193.15950	2.9
195.11725	2.6
197.13170	4.3
199.14795	6.5
201.12827	2.8
201.16412	4.3
203.12747	4.8
203.14444	4.7
205.15897	3.9
207.13580	2.4
211.14906	3.1
213.16397	4.9
215.14305	2.5
215.17896	3.9
217.15865	6.4
221.15309	2.2
227.17929	3.1
229.15999	3.5
229.19557	5.5
233.15363	3.9
235.17026	4.3
237.14619	2.8
237.16730	2.3
239.18018	8.8
247.17012	2.5
247.20576	8.6
249.15022	3.8
255.17381	2.7
257.19067	17.1
262.33832	2.1
265.18503	3.0
265.21646	8.1
273.18427	2.2
275.20053	71.0
276.20364	3.4
279.23230	7.4
293.21100	100.0
294.21490	7.8
297.24103	2.4
303.12613	1.8
311.22162	14.4
318.62399	2.0
403.32379	2.4
412.45490	2.0
413.30469	13.6
421.31232	4.3
431.31531	57.8
432.31964	3.0
439.32297	12.8
440.32333	5.6
449.32620	35.9
450.33096	2.3
457.32965	7.1
467.32599	11.5
485.32474	7.8
486.32837	3.4
503.20380	2.8
503.26419	2.5
503.34256	20.5
504.34265	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84261	3.9
55.01867	7.9
55.05513	57.6
67.05502	66.9
69.03426	8.1
69.07063	32.3
69.41766	27.0
71.04967	4.6
73.78869	3.6
79.05486	36.0
81.07052	72.3
82.28473	4.1
83.04993	5.6
83.08627	39.4
84.31822	3.9
85.06541	6.8
88.66944	4.3
91.05482	18.5
93.07044	37.1
95.04951	4.7
95.08596	57.5
97.06544	8.9
97.10168	60.6
105.07034	18.2
107.08578	33.6
109.10162	26.4
111.08064	4.9
117.07024	8.7
119.08588	18.4
121.10129	23.6
123.11735	11.9
125.09624	53.4
129.36081	4.4
131.08559	13.0
133.10135	11.0
135.08064	8.5
135.11703	12.9
136.81668	4.3
137.13287	6.9
145.10150	16.5
147.11652	9.0
153.09081	13.6
159.11703	11.3
161.13287	5.9
163.11208	6.3
165.12770	5.1
171.10184	7.1
173.13252	10.8
187.14790	4.9
189.11246	49.1
238.67381	4.2
243.21147	9.5
261.22141	23.9
279.23181	100.0
279.26062	8.3
297.24197	45.9
299.47638	3.8
346.27280	4.5
351.92365	4.4
377.28021	5.0
413.30408	7.1
431.31458	47.2
432.31662	5.6
449.32602	31.4
467.33490	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	503.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.6
52.00253	0.5
52.49658	0.5
53.03947	3.0
55.01877	1.4
55.05513	17.7
57.03442	2.3
57.07079	4.9
58.06607	2.7
59.05001	1.3
59.07384	0.5
60.08171	0.5
65.03945	2.9
67.05505	64.9
68.05843	1.3
69.03435	0.9
69.07063	11.8
69.15182	3.0
69.15612	1.3
71.05000	5.7
71.08628	1.2
73.06582	0.7
73.54510	0.6
77.03928	0.5
79.05493	38.3
80.05842	0.7
81.03416	4.1
81.07056	100.0
82.07396	1.4
83.04990	1.8
83.08615	8.8
85.06541	9.5
85.10151	0.6
91.05478	23.8
93.07045	27.6
95.04961	4.3
95.08607	21.6
97.06512	2.6
97.10172	4.1
98.23347	1.1
99.08083	0.9
105.04511	1.1
105.07030	14.1
107.04942	0.8
107.08591	15.7
109.06508	1.2
109.10159	10.6
111.04293	0.5
111.08096	1.6
111.11729	0.7
115.05476	0.8
116.13113	0.5
117.07018	3.8
119.08580	9.7
121.06550	0.6
121.09265	0.8
121.10141	14.0
123.08096	0.8
123.11707	12.2
125.09622	1.2
129.07007	1.8
131.08577	6.4
132.33633	0.5
133.10136	12.8
135.11697	7.7
137.09619	0.7
137.13234	0.7
139.11172	0.8
141.06999	0.5
143.08525	1.5
144.10284	0.6
145.10112	4.8
147.11676	4.2
149.09639	0.8
149.13252	3.1
151.11182	5.2
157.10103	1.4
159.11720	3.8
161.13240	2.3
163.14790	1.2
169.12241	2.4
171.11653	0.7
171.88065	0.5
173.13254	3.4
175.11090	0.6
175.14824	1.4
185.13203	1.0
187.11591	0.7
187.13297	8.2
187.14813	1.3
189.16438	0.7
193.12254	0.7
199.14774	0.7
201.16434	0.7
203.90991	0.5
209.08067	0.7
231.10118	1.6
236.14938	4.0
237.15234	3.6
243.20970	0.7
249.11227	2.1
261.22159	3.1
273.89734	0.5
317.24756	0.8
393.31335	0.8
411.32352	2.0
429.33698	0.8
478.13483	0.6
485.25089	1.3
485.39755	1.8
503.36951	45.1
504.37439	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	504.244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71922	3.3
53.03942	3.3
57.03428	4.6
59.04994	7.1
65.54868	3.0
67.05496	14.3
69.03422	10.7
69.07078	6.6
69.53133	15.6
70.06596	16.8
71.04992	15.0
71.82030	3.2
79.05489	18.9
81.03415	12.6
81.07055	53.3
83.04967	4.1
85.02907	16.2
85.82118	2.9
91.05472	9.2
93.07053	16.2
95.04965	16.3
95.08624	23.0
97.02886	12.3
97.06533	9.3
98.22598	4.9
103.05470	4.8
105.07039	8.7
107.08569	7.7
109.02861	11.8
109.10162	10.3
111.04382	3.7
114.09175	15.3
117.07006	4.4
119.08553	6.7
121.02898	5.2
121.06516	6.1
121.09267	6.1
121.10141	100.0
123.04352	4.9
123.11703	29.5
125.06006	15.8
125.66584	3.3
127.03899	8.1
129.05460	4.9
131.04942	6.5
137.05991	18.5
137.09627	8.9
139.07527	5.2
139.11176	42.3
142.08630	3.9
145.04953	4.9
147.04425	4.0
149.06056	3.6
149.09633	10.1
151.03984	7.0
153.01842	25.4
160.09689	54.9
163.07576	5.1
165.09134	7.2
167.07019	5.9
167.10681	76.0
167.12019	6.9
185.11746	46.2
249.07599	4.3
256.24216	3.9
315.06967	4.9
504.20813	74.3
505.20691	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	504.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.6
55.05512	8.8
56.86596	2.5
61.32714	2.2
65.03941	4.7
67.05505	28.6
67.36932	2.5
69.03455	2.7
69.07071	10.0
69.80091	12.7
71.04993	4.4
77.10694	2.4
79.05486	23.3
81.07057	26.5
82.07371	3.6
83.04977	2.9
83.08631	7.9
85.02830	3.1
85.06535	5.5
91.05475	24.0
93.07049	27.0
94.07425	3.7
95.04974	4.5
95.08601	26.3
97.06522	3.3
97.10189	4.2
99.04439	2.8
99.08067	4.6
103.05451	3.7
105.07023	19.2
107.04975	3.3
107.08596	29.1
109.06514	2.9
109.10155	20.2
110.10424	3.2
111.04427	2.5
111.08064	4.2
117.07037	3.9
119.04924	3.5
119.08599	23.0
121.06512	2.9
121.10151	27.6
122.10464	2.4
123.08075	4.3
123.11698	7.4
125.05992	2.9
125.09602	5.7
131.08604	13.8
133.06453	7.0
133.10115	17.8
134.73289	2.8
135.08043	5.0
135.11694	19.5
136.12012	3.2
137.05945	15.3
143.08562	5.0
145.10143	14.1
146.10437	3.8
147.04417	5.4
147.11703	11.0
149.09610	3.6
149.13255	11.6
151.03900	89.0
151.05014	6.8
151.07529	20.7
157.10179	3.7
159.08017	7.7
159.11636	12.0
161.05992	6.5
161.09625	3.6
161.13290	7.8
162.13611	3.2
163.03912	5.0
163.07610	4.4
163.11127	3.3
163.14790	4.1
164.81721	2.4
165.09108	3.4
171.08073	3.7
171.11664	3.7
173.13277	9.7
175.14839	7.7
177.16420	3.5
179.14288	2.9
181.06624	2.7
182.07233	6.3
185.13187	4.9
187.14853	7.8
189.05502	6.9
189.09360	2.5
189.16400	9.4
190.16769	3.0
191.10678	4.2
191.14284	2.9
191.18027	3.0
197.09515	2.5
197.13155	2.7
199.11148	3.6
199.14856	3.4
201.12784	3.3
203.10733	4.5
205.15976	3.2
207.17508	4.9
208.64000	2.3
210.06839	6.8
215.17978	15.7
217.12460	3.0
219.13792	2.9
221.05861	3.6
224.08385	2.8
225.09137	9.6
227.07056	5.5
229.12286	10.2
233.15352	6.1
233.19014	11.4
235.16853	3.2
242.09387	4.1
253.08517	8.0
257.12000	2.8
263.12787	5.0
267.10245	3.5
272.13766	2.8
276.03790	2.6
280.23721	3.6
307.22449	3.3
313.10699	100.0
348.99994	2.7
353.17407	5.2
356.81708	2.8
363.15781	3.7
381.16763	5.4
395.32898	6.3
400.50531	2.7
413.34326	3.7
432.31726	5.1
440.32333	4.1
441.33810	14.8
451.32297	3.9
458.33490	4.1
468.31946	4.7
469.33127	5.5
486.33405	4.4
487.34158	4.3
488.97366	3.2
504.34265	16.8
505.22290	9.6
505.29718	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	504.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.7
54.21089	2.9
55.05502	13.5
59.02779	2.2
67.05508	18.1
69.07070	13.0
70.02610	5.1
70.03002	4.4
71.04977	4.5
79.05476	14.0
81.07050	25.3
83.08629	4.9
85.06564	2.5
91.05478	13.1
93.07043	25.4
95.04962	5.7
95.08610	41.6
97.06519	5.4
97.10149	4.3
105.07035	26.0
107.08587	32.3
108.08858	4.0
109.06486	7.0
109.10147	23.0
111.04447	3.0
111.08082	6.6
113.05962	2.3
117.07011	8.1
119.08563	26.9
120.08904	3.4
121.06479	5.9
121.10146	31.0
123.08049	6.7
123.11714	11.5
123.65958	2.3
125.05971	3.3
125.09594	4.7
129.06981	4.3
131.08545	17.8
133.10107	18.9
135.08034	5.1
135.11685	29.7
136.12015	3.0
137.05986	3.5
137.09589	3.1
137.13274	4.1
143.08583	8.9
145.10100	17.4
147.07996	5.9
147.11688	14.8
149.09636	4.2
149.13258	12.7
151.07530	5.3
155.08549	5.6
157.10095	8.6
159.11685	11.4
161.13235	7.5
163.11093	3.4
163.14806	8.3
165.09088	10.6
169.10080	5.8
171.11642	7.0
173.09613	3.6
173.13281	11.6
175.14793	6.8
177.16418	5.6
183.11710	5.0
185.13277	8.6
187.11157	5.1
187.14792	12.9
189.12756	3.6
189.16351	7.5
191.17946	28.6
195.11552	3.0
197.13226	5.0
199.14815	6.3
201.12781	7.5
201.16409	9.1
203.14351	4.9
203.17917	7.7
205.12230	6.5
205.15964	3.9
205.19579	5.0
213.16315	4.8
215.14293	7.7
215.17889	2.8
217.12102	2.8
217.19522	8.7
219.13693	4.8
231.13844	7.8
233.15402	5.4
249.18430	5.9
273.29108	2.4
405.31506	10.1
406.16107	3.1
408.96747	2.7
423.27841	3.7
423.32684	44.2
424.32944	3.5
425.34012	3.5
433.29263	2.8
441.33704	100.0
441.39883	6.1
442.33929	10.2
451.30719	5.5
458.33722	2.9
486.33539	4.2
487.33990	2.9
504.34454	13.9
505.26447	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	505.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65468	0.8
56.96283	1.3
56.96563	20.9
67.66161	0.8
69.51465	5.5
71.95272	3.0
84.96032	5.7
84.97809	0.9
97.96796	4.3
98.97585	100.0
101.93076	0.8
102.98084	0.8
110.97569	26.7
112.99108	4.2
115.97807	1.9
116.42313	1.0
116.98622	35.3
128.97629	1.3
128.98605	24.4
131.00215	3.1
134.99663	7.0
140.98520	1.2
143.00156	3.6
144.98087	1.6
146.99626	9.9
149.01195	1.3
158.99654	4.9
161.01239	3.3
170.99673	2.5
177.00754	5.0
189.00719	4.7
201.00688	2.0
209.01247	2.7
212.13809	1.0
218.99620	1.5
219.01753	29.7
222.02049	1.7
223.02782	1.7
224.00015	2.4
225.04329	2.7
227.02251	4.8
237.02811	47.5
238.01346	1.6
240.03117	1.5
241.03806	1.8
242.00992	4.1
243.05370	4.0
250.01552	1.9
253.03799	1.0
255.03833	1.6
256.02560	4.5
257.03259	2.6
260.01947	5.8
260.04337	1.1
264.02863	1.0
265.03836	21.9
267.05499	2.0
267.99838	1.2
268.02567	14.2
270.04105	1.7
271.04816	4.6
275.04370	1.6
277.03818	1.5
278.03061	2.5
279.01791	1.1
281.03287	3.8
282.00385	1.0
283.04883	19.5
284.05286	1.5
285.03333	1.3
285.06339	4.7
286.03635	6.9
293.03357	1.0
295.04953	1.6
297.02853	5.6
299.04337	5.2
301.06015	7.9
307.01291	1.5
307.04874	31.6
308.05127	1.6
309.06421	5.5
310.03659	1.2
311.04352	1.5
325.05939	41.8
326.06393	2.2
327.07465	3.3
339.12387	1.0
341.05185	2.1
343.07077	5.0
348.07349	1.7
351.12494	3.5
363.12448	7.7
364.12613	1.0
367.06998	14.4
379.06976	1.4
385.07974	2.8
397.07944	1.5
409.08240	1.3
415.09305	2.0
427.09131	6.9
445.10187	65.9
446.10275	3.7
463.11374	10.9
498.01556	1.0
505.12195	10.3
506.12408	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76929	0.3
55.60661	0.3
61.59927	0.3
69.06791	0.5
69.07191	2.7
71.85806	0.3
73.59686	0.3
76.55076	0.3
79.05489	0.5
81.07005	0.3
84.87753	0.3
88.61666	0.3
93.07038	0.4
95.04950	0.5
96.33950	0.3
105.07066	0.4
114.91752	0.3
123.04476	0.4
135.08075	1.1
137.05984	1.0
147.00468	0.4
151.03891	0.4
151.07622	0.3
162.02879	2.2
163.07553	0.7
163.48448	0.3
181.04965	0.6
181.08440	0.3
205.04832	0.5
214.19920	0.3
220.03484	1.1
227.03493	0.3
228.94463	0.3
243.43323	0.3
245.93988	0.3
257.71872	0.3
365.08398	1.3
402.80859	0.3
487.08255	1.7
505.13123	100.0
506.13577	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	505.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82212	0.3
59.19284	0.3
59.39772	0.3
61.82716	0.3
73.07198	0.3
79.65047	0.3
85.02913	0.5
88.86224	0.3
89.06019	0.4
91.05399	0.4
98.23401	0.6
107.04864	0.3
109.02886	0.3
109.22295	0.3
123.04407	2.5
137.05977	0.9
146.45866	0.3
147.04402	1.6
149.05940	0.6
153.01822	1.4
161.05963	0.7
163.03876	2.2
165.05573	0.3
177.01593	2.9
181.06445	0.4
190.02327	0.7
191.03171	0.5
191.07088	0.4
192.03917	16.7
193.04689	2.5
201.05356	0.3
205.04854	0.4
223.07568	0.9
229.33559	0.3
230.83105	0.3
251.07021	0.7
269.07996	2.8
295.06088	0.7
311.09039	1.8
335.07196	3.0
353.10272	2.1
383.14612	0.5
459.08701	0.5
474.11450	1.8
475.12152	1.4
488.87656	0.4
505.13126	100.0
506.13480	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	505.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.2
68.99786	3.5
69.08004	9.4
85.02928	1.3
89.03886	1.3
91.05468	2.4
95.04947	1.4
105.03390	1.6
111.04446	1.3
115.05457	1.3
117.03393	1.7
123.04422	43.7
131.04924	1.4
135.04408	6.8
137.02341	4.0
137.05991	3.6
145.02875	2.1
146.06026	3.8
147.04398	32.9
149.05974	18.9
153.01807	5.9
160.05165	4.6
161.05969	5.1
163.03893	47.4
164.04617	1.6
167.08553	1.5
173.05959	7.4
175.03894	5.3
177.07002	1.6
181.06473	5.7
187.03911	2.3
188.07062	3.3
189.05492	3.4
192.03981	2.3
195.08063	4.2
197.05905	5.4
199.07549	5.1
201.05461	5.1
205.04871	2.9
205.06546	4.2
213.09120	2.2
215.06937	2.2
217.04953	1.8
221.05948	3.8
223.07556	21.9
224.08000	1.3
225.05464	4.0
226.06017	1.9
227.07021	1.8
233.06009	2.5
239.07172	1.4
241.08632	2.4
242.05759	1.5
243.06406	5.3
247.07509	2.8
249.05421	1.7
251.07016	20.5
252.07672	1.5
261.09027	1.8
263.07007	3.2
265.08530	3.1
267.06418	2.3
269.08069	100.0
270.08423	6.9
277.05124	1.3
279.06662	5.6
281.07935	1.3
283.09641	2.6
289.08417	2.5
291.06638	1.3
292.07239	2.0
293.08127	9.1
295.06003	17.7
296.06635	1.7
299.09125	2.4
307.09641	5.0
309.07465	4.2
311.09109	59.9
312.09454	2.5
317.07944	2.6
335.09164	11.2
353.10162	49.6
354.10498	5.0
383.10770	2.0
391.33972	1.2
472.66785	1.1
493.22263	1.1
505.13992	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	505.149
Annotation	Bequinostatin A
Peak:m/z	Relative Intensity
51.02374	1.0
53.03933	0.8
55.01864	1.7
65.03941	0.8
66.04693	0.6
67.05495	1.3
68.99792	3.5
71.01322	1.1
77.03932	1.6
79.05485	1.3
81.07056	1.2
85.02907	2.2
89.03918	0.9
91.05463	3.8
93.07047	0.6
94.04168	3.5
95.04961	2.3
103.05473	4.1
105.03398	2.1
105.04507	0.5
105.07056	2.6
107.04948	2.5
109.06483	0.9
115.05452	2.1
116.99150	0.5
117.03349	1.1
117.07008	1.0
118.04184	0.6
119.04967	2.3
119.05709	0.4
119.08563	0.5
121.06483	1.1
122.03650	6.4
123.04423	100.0
124.04776	2.3
128.06212	0.6
129.06970	0.9
131.04921	6.2
131.08580	0.5
133.06483	2.1
135.04413	7.4
135.08069	0.9
137.02373	5.5
137.05968	74.9
138.06316	1.5
141.07007	0.8
143.04909	0.8
143.08504	0.5
144.05716	0.6
145.02852	3.0
145.06509	2.3
146.03607	3.1
147.04401	25.2
147.08046	1.0
148.04816	0.6
149.05971	12.7
151.03960	0.5
151.07553	6.1
151.08745	0.7
152.06239	0.6
152.10529	0.4
153.06981	0.9
155.08629	0.5
157.06480	1.1
159.04361	1.4
159.08104	0.8
160.05173	2.6
161.05975	19.6
162.06750	0.6
163.03893	46.7
163.07538	9.7
164.04532	2.5
165.05446	1.4
165.06981	0.9
165.09106	1.4
167.08568	1.3
169.06454	1.2
173.05972	7.9
175.03899	8.2
175.07529	7.4
177.05444	1.4
177.06943	1.0
177.09070	1.1
179.07062	1.0
179.08536	0.8
181.04932	1.6
181.06483	4.1
185.05952	0.8
187.03880	2.6
187.07588	2.2
189.05475	3.7
189.09152	1.4
191.07019	1.2
191.08537	0.7
193.04854	0.8
194.07195	1.0
195.08073	3.6
197.05974	2.6
198.06693	0.7
199.07509	3.9
201.05444	5.0
201.09119	1.4
203.06964	0.9
203.10593	0.5
205.04927	1.0
205.06535	4.3
207.08037	1.3
209.05881	0.6
209.09807	0.6
211.07614	1.1
213.05479	1.7
213.09096	1.6
215.06981	1.5
217.04962	1.6
219.08011	1.4
221.05983	6.5
222.06499	0.9
223.07526	15.0
224.07968	1.3
225.05482	3.2
225.09087	0.6
226.06190	2.0
227.06859	2.2
229.04984	2.5
229.22603	0.5
233.05948	2.4
233.09662	0.8
234.06720	1.1
235.07603	2.5
236.08197	0.8
237.05464	0.6
237.09074	2.2
239.07065	1.7
241.08563	2.3
242.05571	0.8
243.06317	4.0
245.07841	0.9
247.07549	2.9
249.05475	5.3
249.09102	0.8
250.06071	1.6
251.07028	14.3
251.10004	0.7
252.07590	1.9
253.08478	0.7
255.06531	0.7
261.09106	1.8
262.09766	0.9
263.07025	3.1
263.10632	0.6
264.07666	0.7
265.08578	4.9
266.05823	0.7
267.06500	3.6
267.09967	0.9
268.07269	1.2
269.08057	63.1
270.08505	3.3
271.07419	0.6
275.07016	1.5
277.04895	3.3
277.08237	0.9
278.05624	0.5
279.06497	8.1
279.09695	0.8
280.07172	1.3
281.08038	4.0
282.08731	0.6
283.09601	1.7
285.07407	0.7
289.05655	0.5
289.08563	2.1
291.06497	0.7
291.10062	0.7
292.07141	0.7
293.08084	7.3
293.11273	0.6
295.06012	28.4
295.09445	1.9
296.06580	2.5
297.07797	0.9
297.11163	4.3
299.09109	6.1
299.12738	4.4
305.08237	0.5
305.11652	0.7
307.06165	1.0
307.09558	3.4
309.07483	2.5
309.10974	1.0
311.09100	34.2
312.09390	1.7
313.14194	0.6
317.07993	1.7
319.09555	1.0
322.11685	0.5
323.09103	1.7
323.12717	0.7
324.06238	0.6
325.07043	1.2
325.10660	1.6
325.14258	0.7
331.09329	0.5
335.09088	7.3
336.09570	0.5
337.10593	2.1
337.14304	2.7
347.09125	0.5
349.10391	0.5
349.14261	1.1
351.15985	0.9
353.10165	55.5
354.10748	3.0
363.15814	1.0
365.10278	3.8
383.11246	3.8
403.11868	0.8
411.08551	1.0
421.12744	0.7
445.13074	0.8
455.18387	1.1
469.13818	1.4
487.13901	3.3
487.21033	2.3
505.14810	24.1
505.22104	7.0
506.15268	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54940	1.2
55.01868	1.6
56.09175	1.4
59.04996	2.3
68.99790	3.3
69.03438	2.0
71.04985	4.3
78.81954	1.3
79.05502	2.1
81.03385	1.5
82.87605	1.4
83.04971	2.3
85.02896	10.2
90.67959	1.3
91.05466	8.8
93.07050	1.9
95.04974	2.2
97.02877	1.7
101.06009	2.2
103.05472	5.7
105.07021	3.3
107.04942	12.6
107.08578	2.8
115.05441	2.3
117.03410	1.8
119.04949	7.2
121.06504	3.5
123.04429	11.2
127.65929	1.3
129.05492	1.8
129.06990	2.0
131.04948	4.4
131.08554	2.4
133.06474	1.7
135.04428	5.0
135.08034	2.9
137.02336	4.5
137.05965	24.2
144.99352	1.7
147.04399	31.7
149.05965	16.1
151.03909	1.7
151.07571	3.1
159.04372	1.8
160.05206	1.7
161.05946	13.6
161.09616	3.1
162.06651	2.4
163.03896	39.9
163.07536	17.0
164.04430	2.7
165.70798	1.5
167.07092	2.0
173.05934	7.3
174.06964	1.6
175.03925	7.3
177.05496	1.6
181.04990	3.8
181.06525	5.9
181.08638	5.2
189.05318	8.1
189.09212	4.4
191.10690	1.4
195.08080	4.1
197.05994	3.3
199.07582	3.2
201.05505	3.6
202.05991	38.4
203.06731	3.5
204.07561	41.7
204.09393	2.8
205.06563	4.0
207.10158	3.0
209.11739	1.8
213.09149	1.9
222.06725	1.6
223.07538	19.2
225.05516	3.2
226.06232	1.9
227.07176	1.8
227.12782	4.1
233.05931	1.9
234.08801	1.6
241.08580	2.8
243.06474	4.2
247.07452	2.0
251.07021	13.3
253.08623	1.4
255.06615	3.3
261.09201	2.3
263.06891	1.5
265.08490	1.5
269.08069	77.5
270.08517	3.3
271.57794	1.4
279.06580	3.8
283.09677	2.8
289.08597	2.3
293.08127	7.7
295.06122	6.2
307.09723	6.6
311.09113	43.5
311.12540	2.5
312.09583	2.3
317.08255	1.4
335.09033	8.3
353.10056	41.5
353.13770	7.6
354.10364	3.2
383.14645	11.5
505.14584	100.0
506.15292	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	505.1704
Annotation	Umbilicaxanthoside A
Peak:m/z	Relative Intensity
56.84616	0.1
63.95176	0.1
64.33540	0.1
67.05479	0.1
67.70975	0.1
69.03410	0.2
69.07035	0.1
69.70191	0.5
70.87244	0.1
79.47516	0.1
81.07041	0.1
83.01331	0.5
85.02872	0.3
89.03908	0.1
91.05422	0.1
93.06998	0.3
95.08567	0.3
98.22517	0.1
105.07016	0.2
107.04916	0.1
107.08543	0.3
108.02066	0.1
109.10088	0.1
119.08545	0.3
121.06503	0.1
121.10074	0.2
133.02824	0.1
133.10118	0.2
135.11653	0.3
137.02309	0.3
137.05957	0.6
147.11749	0.2
149.05969	0.3
150.06746	0.1
151.03899	1.4
151.07484	0.3
152.04665	0.2
161.05948	0.2
163.03844	0.2
167.03360	0.7
175.03864	0.2
175.14818	0.1
177.05481	0.1
177.16318	0.1
179.03380	0.4
180.04146	0.3
181.04919	0.2
189.05415	0.1
195.06525	0.3
201.05481	0.3
203.03377	0.2
211.03732	0.1
211.07547	0.1
213.12823	0.1
229.04865	0.3
229.08636	0.2
239.03383	0.1
239.07062	0.2
241.08511	0.1
255.10210	0.1
257.08066	3.7
258.08524	0.1
267.06543	0.3
271.09705	0.1
281.08057	0.3
284.06650	0.1
285.07559	7.9
286.07974	0.4
299.09155	0.6
300.09909	10.9
301.10272	0.6
311.09155	0.4
312.06290	0.6
312.09540	0.2
313.07065	3.4
313.10352	0.2
314.07401	0.2
326.14716	0.1
327.04657	0.2
327.08597	4.7
328.09393	50.0
329.09732	2.8
341.10269	0.2
342.11050	0.1
343.11743	100.0
344.12103	5.7
385.12759	0.2
425.30667	0.8
431.35953	0.1
475.72086	0.1
505.17010	40.5
506.17377	3.4
525.77832	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.4
61.60995	0.2
62.13944	0.2
65.03928	0.7
67.05161	0.5
67.05504	6.3
69.03422	0.4
69.64944	1.2
73.46101	0.3
77.38735	0.3
79.05492	1.9
81.03412	0.5
81.07057	0.6
81.15213	0.3
82.65260	0.3
85.02922	0.5
91.05489	1.2
93.07047	0.5
95.04965	4.7
95.08594	0.3
103.05455	0.9
105.07046	1.6
107.04948	0.8
107.08592	0.8
109.02895	0.8
118.04174	1.4
119.04914	0.3
119.08564	0.4
121.06552	0.5
121.10139	0.4
122.03621	0.4
124.05211	0.8
131.08603	0.3
132.05766	0.4
133.06494	7.1
133.10129	0.4
135.04414	10.6
135.07991	0.5
135.11703	0.4
137.05945	1.7
147.11746	0.4
149.05980	0.5
150.03125	0.6
150.06755	1.0
151.03883	0.9
151.07555	0.8
151.85693	0.3
153.05475	0.7
161.06000	0.3
163.03905	6.8
165.05434	0.7
165.09106	1.0
168.04164	0.9
175.07611	0.4
179.08516	0.3
181.03470	0.5
181.04973	5.6
182.05472	0.3
193.04971	1.1
193.08609	6.4
211.06038	0.4
221.09639	0.4
239.07071	0.4
239.10564	0.5
252.07806	1.6
253.08522	1.4
254.09366	0.9
267.10010	0.4
280.07419	2.4
281.08069	7.3
282.08838	7.7
283.09412	1.1
295.09644	30.2
296.09869	1.4
297.11191	0.9
306.43091	0.3
309.07581	2.4
310.08331	10.0
311.08704	0.7
325.10690	100.0
326.11041	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.7
55.05494	0.9
57.03455	0.7
57.03738	0.2
57.07078	0.5
61.84147	0.3
65.03929	1.1
67.05504	6.8
69.03433	1.4
69.07066	1.2
71.04993	0.3
71.32504	0.5
78.62357	0.3
79.05486	2.9
81.03407	1.5
81.07050	3.4
83.04973	0.5
83.08617	0.4
85.02909	1.3
85.06525	0.5
86.09703	0.3
88.43589	0.3
89.02824	0.3
89.03880	0.6
91.05478	3.1
93.07034	2.4
94.04176	0.5
95.04962	3.7
95.08601	3.6
97.02879	0.3
97.06551	0.8
97.10210	0.5
98.23821	0.3
99.04470	0.4
103.05492	1.5
105.07031	3.4
107.04939	2.3
107.08601	3.7
108.08959	0.3
109.02885	0.7
109.06519	1.2
109.10146	2.0
111.04469	0.4
111.08063	0.6
115.05441	0.7
117.03360	0.6
117.07012	1.1
119.04943	1.0
119.05922	0.3
119.08583	3.8
120.08913	0.6
121.02869	0.3
121.06488	1.1
121.10159	2.8
122.03652	1.1
123.04403	0.4
123.08069	0.7
123.11689	1.0
125.06005	0.4
125.09629	0.5
127.03873	0.3
127.07590	0.4
128.06252	0.3
129.07018	0.5
131.04915	1.0
131.08565	1.6
132.05611	0.3
133.06502	5.6
133.10120	3.2
134.07271	0.4
135.04411	12.5
135.08069	0.9
135.11694	1.7
136.04703	0.3
137.05978	10.1
137.09596	0.5
137.13254	0.6
139.07594	0.5
139.11165	0.4
141.06966	0.3
142.07770	0.4
143.08560	1.2
145.02884	0.4
145.06485	0.6
145.10126	2.3
147.04404	0.4
147.08037	0.9
147.11736	1.9
148.12056	0.4
149.02367	0.7
149.05965	1.5
149.09627	0.7
149.13260	1.1
150.03114	0.4
151.03886	3.4
151.07516	2.5
153.05458	1.2
153.09033	0.3
155.08514	0.4
157.10141	0.9
159.08075	1.1
159.11687	2.0
161.05968	1.1
161.09608	0.6
161.13293	1.4
163.03902	9.1
163.07600	1.4
163.11232	0.6
163.14764	0.5
164.08342	1.0
165.05469	0.8
165.06985	0.5
165.09109	0.7
167.07089	0.5
167.08585	0.5
168.04195	1.0
169.10078	0.3
170.07306	0.4
171.08003	0.6
171.11775	0.7
173.06039	0.4
173.09673	0.5
173.13297	1.1
174.06825	0.4
174.13617	0.3
175.07605	1.3
175.11169	0.7
175.14804	1.1
177.05423	0.6
177.12740	0.4
177.16374	0.8
179.14270	0.5
181.04964	6.2
182.07137	0.3
183.11612	0.5
185.09660	0.6
185.13287	0.9
187.07643	0.4
187.14792	1.4
189.05473	0.4
189.09114	1.1
189.12749	0.8
189.16393	1.5
191.07024	0.4
191.14365	0.3
193.04959	2.1
195.08064	0.6
195.11807	0.3
196.08931	0.4
197.13219	0.4
199.07724	0.3
199.11189	0.5
199.14772	0.7
201.05507	0.4
201.09142	1.5
201.12747	0.4
201.16321	0.5
203.06927	0.5
203.10645	0.9
203.14302	0.6
204.07700	0.4
205.08513	0.3
205.12286	0.3
205.15826	0.6
207.08057	0.3
207.17461	0.6
211.05980	0.7
211.14862	0.3
212.08348	0.6
213.09103	0.3
213.12830	0.3
213.16431	0.4
215.17955	0.6
217.15781	0.4
219.06485	0.3
219.10175	1.0
221.09581	0.5
227.10699	1.9
233.15309	0.4
233.19159	0.3
235.16901	0.8
239.06984	0.6
239.10695	0.7
241.08563	0.7
250.06070	0.3
252.07813	1.8
253.08574	1.2
254.09407	0.9
263.10529	0.3
267.10291	0.6
268.07175	0.4
269.08002	0.6
270.08813	0.4
280.07324	1.9
281.08078	5.6
282.08826	8.3
283.09506	1.0
285.11099	0.3
291.10245	0.4
295.09634	26.0
296.09906	1.6
297.07584	3.7
297.11099	1.0
298.08322	0.8
299.12851	0.4
306.09018	0.3
307.08191	0.8
309.07486	1.6
309.11023	0.5
310.04962	0.6
310.08328	7.8
311.09036	1.2
312.06305	0.9
313.10699	3.0
315.01114	0.4
315.08612	0.6
317.25412	0.3
321.11230	0.7
323.09271	0.4
323.12839	0.8
325.10693	100.0
326.07333	0.4
326.11041	5.1
327.08621	16.3
328.09125	0.7
337.06659	0.4
337.10593	0.4
341.10297	0.6
343.11749	1.8
343.15298	0.4
352.09390	0.6
357.09589	0.5
363.15930	1.3
367.11905	1.5
381.16962	0.4
393.09521	2.5
394.09647	0.3
405.09683	1.0
411.10608	2.2
423.10745	2.0
439.32346	0.3
441.11780	1.6
445.16708	0.4
451.32022	0.8
459.12787	1.2
459.34845	0.5
469.33356	0.7
486.34000	0.5
487.12213	0.5
487.21039	1.2
487.35123	1.8
504.34106	1.0
505.13486	3.9
505.28140	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
69.08916	2.4
69.09338	1.9
79.70204	0.5
81.03402	1.0
86.24942	0.4
91.05457	0.6
91.74545	0.5
92.00951	0.5
93.07017	0.5
93.76096	0.4
109.02860	0.7
121.06492	0.9
123.04422	4.3
127.03898	0.5
130.64879	0.5
135.08012	0.5
137.05965	1.2
143.03404	0.8
145.10056	0.6
147.04388	1.7
147.08197	0.6
149.05983	0.6
153.01822	9.4
153.03027	0.9
161.06009	1.1
163.03915	2.4
163.07538	0.6
165.05511	0.6
175.07506	0.9
177.01637	0.8
192.03932	2.6
193.04713	0.6
202.22644	0.5
204.07509	1.4
205.04713	41.1
206.05063	1.0
217.08363	1.4
218.05481	1.2
219.06195	0.5
232.07054	0.9
261.03757	0.5
263.81659	0.5
269.08090	1.7
279.05008	1.5
293.10049	5.4
295.06039	1.1
307.11511	4.9
311.09076	1.5
353.10062	2.0
430.15988	1.9
431.16476	0.8
475.19473	0.7
490.42764	0.5
505.13144	16.1
505.20291	100.0
506.13449	1.9
506.20663	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	505.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.2
53.03938	0.7
53.83336	0.2
55.01863	0.6
55.05507	0.4
57.03416	0.4
65.03932	1.2
67.05501	1.9
69.03406	0.8
69.07060	0.7
70.69443	0.5
71.01352	0.3
71.04967	0.3
79.05507	0.5
81.03411	0.9
81.07057	1.2
83.08627	0.3
85.02901	1.3
89.03907	0.3
91.05486	1.1
93.07050	1.1
95.04955	0.9
95.08595	1.1
97.02891	0.3
103.05474	0.8
105.03367	0.3
105.04552	0.3
105.07038	0.9
107.04944	0.6
107.08601	0.6
108.02094	1.8
109.02882	0.6
109.06480	0.4
109.10146	0.9
111.04449	0.7
111.08087	0.3
117.03411	0.3
117.07005	0.4
119.08575	0.9
121.06544	0.7
121.10129	0.9
122.03637	0.2
123.04432	0.5
123.08036	0.2
127.03899	0.3
128.59607	0.2
129.06981	0.6
131.04962	0.4
131.08553	0.8
133.06422	0.2
133.10127	0.6
135.04411	0.6
135.08058	0.4
136.01567	0.4
136.05190	0.3
137.05949	2.0
137.09633	0.4
141.05466	1.6
143.08559	0.3
145.02814	0.4
145.10117	0.3
147.04413	0.6
147.11684	0.4
148.05122	0.3
149.05988	0.8
149.09615	0.3
149.13249	0.4
151.03903	100.0
151.04965	6.7
151.07324	1.8
152.04247	2.5
153.05458	0.3
157.10159	0.3
159.08037	0.8
159.11702	0.4
161.05942	0.5
161.13293	0.3
162.05557	0.2
163.03918	2.6
163.07549	0.5
164.08324	0.9
165.05441	0.3
165.09100	1.5
167.07001	0.5
173.05908	0.4
173.13300	0.3
175.07576	0.2
176.32967	0.2
177.05476	1.7
177.09045	0.5
179.07100	0.3
179.10748	1.1
181.04929	0.5
181.08624	0.5
187.07602	0.4
187.14816	0.3
189.05450	0.4
189.09041	0.5
191.10681	0.8
192.26466	0.2
199.14908	0.2
205.08595	1.3
219.10161	1.4
251.09207	0.3
252.67891	0.2
279.08731	0.5
307.08304	0.3
315.12405	0.3
325.10580	0.4
327.08771	0.3
343.11270	0.5
343.15384	8.7
344.15637	0.4
371.41550	0.2
385.16464	0.4
412.14294	0.2
505.20291	0.2
505.33472	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	2.5
53.03932	6.5
55.01870	7.6
55.05504	5.6
57.03433	6.8
57.98131	2.0
58.40451	2.2
61.02921	3.7
65.03946	3.6
65.75044	1.8
67.05511	15.1
69.03431	20.3
69.07061	5.4
69.51505	2.0
71.04981	3.0
72.14453	2.3
73.02905	3.1
78.23681	1.9
79.05495	13.4
81.03422	15.6
81.07066	17.1
85.02906	34.6
85.06535	2.5
91.05481	49.0
93.07048	13.4
95.04949	6.7
95.08612	12.4
97.02894	16.0
97.06493	2.2
99.04435	4.6
103.05466	22.0
105.07030	30.7
107.04957	17.8
107.08591	16.8
109.02871	10.5
109.06472	3.8
109.10154	8.2
115.05482	5.4
117.03372	4.1
117.07011	8.6
119.04939	57.5
119.08588	17.4
121.06515	11.2
121.10148	8.1
122.03664	4.4
123.04407	2.9
123.08055	7.3
127.03888	7.3
128.06201	2.7
129.06987	5.2
131.04933	10.2
131.08551	8.7
133.06497	21.8
133.10109	13.5
135.04390	13.4
135.08040	11.4
135.11691	4.5
136.05252	2.8
137.02361	3.5
137.05971	47.9
137.09578	3.4
140.04675	3.6
141.07005	2.0
142.23929	2.0
143.08537	4.2
145.02847	5.9
145.05005	3.0
145.06451	6.0
145.10074	9.5
146.10513	2.2
147.04410	25.1
147.11699	6.6
148.05122	3.6
149.05971	17.8
149.09595	3.1
149.13254	3.3
151.03906	57.0
151.04985	4.5
151.07536	23.4
153.01797	2.9
153.05481	9.7
157.06500	3.3
157.10141	5.9
159.08064	3.3
159.11674	7.5
161.05969	6.7
161.09547	2.4
161.13300	4.6
163.03902	34.2
163.07561	24.2
163.11179	2.4
163.14803	4.5
164.08342	29.5
165.05470	10.3
165.09125	21.7
169.10132	2.3
171.11700	5.1
173.05933	3.6
173.09538	2.8
173.13271	5.0
175.07578	7.0
175.11214	2.0
175.14804	5.5
177.05359	2.3
177.09070	2.7
177.16475	3.2
179.07031	100.0
181.04829	2.4
181.08623	26.1
182.08849	2.1
185.09790	1.9
185.13187	4.5
187.07533	5.5
187.14789	9.5
189.09050	5.6
189.12729	2.7
189.16354	4.5
191.07018	4.9
191.14360	3.4
193.08582	4.0
197.13234	3.0
199.14827	3.4
201.09056	2.9
201.16434	4.3
203.06943	2.5
203.10637	4.3
203.18044	3.7
205.08620	23.8
217.08607	3.0
217.15872	4.5
219.10135	10.7
221.15286	2.1
223.16695	2.7
229.08557	2.2
229.15808	2.6
235.16782	3.2
253.08807	2.5
259.09546	2.8
267.06332	2.1
281.08041	4.0
281.79214	2.1
282.08826	4.2
295.09668	12.1
307.08170	6.0
310.08185	3.4
313.10565	2.5
325.10696	40.2
325.14111	2.5
329.09991	2.7
343.15341	21.4
344.15640	2.4
367.13593	6.1
385.14563	4.2
405.31680	4.1
451.31845	2.5
487.34048	4.1
505.17273	2.7
505.30685	3.6
505.37277	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	505.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	1.0
69.03402	0.7
71.31246	0.8
81.03407	0.8
83.04986	0.6
84.04470	0.5
85.02876	2.3
91.05465	1.1
97.02879	1.4
98.97561	0.9
101.78547	0.4
109.02880	0.8
118.57966	0.4
119.04931	1.7
123.04414	0.5
123.92872	0.4
127.03902	1.3
134.52402	0.4
137.05998	0.5
139.03867	0.8
143.61887	0.5
145.04906	0.5
147.04395	9.9
153.01794	2.2
165.05449	4.8
175.03723	0.9
181.04973	0.6
183.31989	0.5
203.05266	1.9
270.67551	0.5
275.07315	2.0
311.64624	0.5
335.09460	46.4
336.09772	2.0
344.60663	0.6
445.17331	1.6
505.16663	18.1
505.22388	100.0
506.16666	1.9
506.22791	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	505.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77310	2.5
53.03937	7.8
55.01883	3.1
55.05512	19.5
57.07076	40.1
57.08007	2.4
67.05507	38.6
69.03436	10.5
69.07063	15.8
71.04998	3.3
71.08633	31.2
71.30485	2.6
71.30897	3.7
79.05491	25.7
81.03418	86.6
81.07053	47.3
83.04990	4.3
83.08620	38.5
85.06554	3.5
85.10195	14.8
90.98347	2.2
91.05474	27.4
91.06351	2.8
93.07038	13.7
95.04981	21.4
95.08595	34.6
97.10182	11.5
105.07031	14.3
107.04969	8.3
107.08614	8.9
109.06541	6.3
109.10163	17.4
111.04415	3.7
111.08093	8.4
111.11714	3.0
113.06015	11.5
119.08582	10.7
121.06526	4.8
121.10137	6.7
123.11707	10.0
125.05998	2.7
129.07039	5.9
131.08617	8.0
133.06520	4.1
133.10147	6.3
137.05968	6.6
145.10138	3.2
147.08061	8.2
147.11681	5.9
149.06013	7.9
149.09608	4.7
151.03978	3.1
157.10086	12.6
161.06021	3.0
165.09084	15.6
175.07539	7.8
175.11200	10.5
179.07076	5.6
187.85950	2.8
193.08615	24.0
193.12247	40.7
199.11282	3.2
205.08533	5.3
207.10222	4.1
211.09648	46.8
217.12457	3.1
221.08113	14.6
223.09645	8.7
225.11293	5.6
239.23798	10.5
249.14969	8.0
259.13391	5.5
277.14349	60.2
295.15350	24.6
390.22266	3.1
398.86014	2.6
468.47641	2.9
469.22488	4.0
501.07767	3.2
505.38934	100.0
506.39090	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	505.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26883	3.0
53.03934	2.5
55.01865	4.6
55.05511	28.0
57.07065	6.8
62.45803	2.6
65.03938	4.0
67.05502	31.7
68.97125	2.2
69.03443	4.2
69.07070	23.4
69.11124	10.6
69.11552	13.7
71.05011	2.6
71.08622	4.6
71.88589	2.3
75.47370	2.6
79.05493	38.7
81.07050	58.2
83.04977	10.7
83.08617	18.3
85.10145	2.5
89.03903	2.7
91.05470	43.3
93.07034	76.4
93.07590	5.2
95.04966	7.7
95.08599	75.6
97.06517	9.1
97.10149	5.0
99.08083	4.8
103.05466	7.3
105.07014	80.5
107.04980	4.8
107.08588	100.0
109.06501	8.1
109.10149	42.0
111.08072	9.2
115.05454	3.4
117.07007	19.5
119.04927	3.3
119.08575	93.3
121.02783	2.4
121.06483	16.2
121.10135	69.1
121.10972	4.8
123.04425	8.5
123.08045	8.9
123.11731	14.1
125.05963	8.3
125.09620	5.4
128.06256	4.8
129.07014	9.6
130.07809	4.6
131.04929	5.0
131.08566	49.3
133.06546	4.6
133.10124	73.0
135.04370	4.4
135.08066	16.8
135.11676	33.1
137.05971	38.4
137.09610	21.4
137.13272	4.7
139.11163	7.1
141.07014	5.8
142.07785	6.5
143.08566	33.0
144.09348	4.5
145.06474	7.3
145.10104	75.6
146.07161	2.6
147.08083	11.4
147.11662	45.5
149.06001	8.5
149.09598	14.0
149.13235	21.4
151.03882	7.5
151.07545	10.8
151.11208	2.9
153.09131	8.0
155.08537	13.3
156.09357	9.8
157.10104	44.6
158.10863	8.3
159.08069	4.0
159.11688	55.5
159.12947	5.3
161.05984	7.5
161.09590	12.5
161.13231	24.1
163.03900	11.8
163.07568	6.8
163.11160	26.8
163.14787	34.8
165.09105	59.1
167.07059	10.2
167.10612	3.9
168.09315	4.6
169.10071	23.9
170.10928	7.6
171.11674	41.0
172.12440	5.1
173.09651	4.5
173.13249	45.6
175.07610	3.3
175.11133	16.1
175.14752	16.1
177.09119	7.2
177.12749	6.5
177.16402	7.6
179.10684	5.6
181.04974	8.8
181.10156	6.4
181.12250	18.1
182.10867	6.0
183.11671	32.5
184.12480	3.4
185.09680	2.9
185.13251	43.0
186.13632	4.0
187.07512	3.1
187.11217	6.8
187.14809	25.1
189.05519	3.6
189.12756	10.9
189.16321	28.4
191.14349	12.8
193.08562	3.4
193.10219	4.5
193.12300	10.0
195.11659	6.0
196.12523	4.0
197.13226	23.6
199.11110	2.7
199.14821	33.7
201.12749	9.8
201.16388	18.3
203.10687	5.6
203.14351	14.9
203.17921	9.4
205.12160	6.3
205.15828	4.2
207.11749	5.7
207.13727	3.5
209.13266	9.8
209.15376	9.7
211.14845	18.3
212.15254	2.8
213.16391	10.7
215.14339	14.3
215.18007	10.4
217.12167	5.6
217.15912	10.1
217.19449	4.8
219.11783	3.3
219.13750	4.7
221.13303	5.2
221.15396	4.3
223.14835	8.8
224.15526	2.7
225.16396	12.9
227.14343	3.4
227.17903	5.9
229.15846	9.5
229.19635	6.2
231.17451	4.6
233.13278	4.6
233.15413	6.2
235.14833	4.5
235.16980	5.3
237.16402	6.9
239.17931	7.2
241.15752	4.9
241.19557	5.2
243.17349	6.8
243.21053	4.1
247.16930	5.9
249.16437	3.4
251.17960	6.8
253.15919	2.8
253.19516	13.2
255.21106	13.9
257.15302	3.2
257.19052	5.0
257.22595	5.8
263.17819	6.5
263.20346	3.7
265.19525	3.0
269.08002	5.4
269.19055	5.7
269.22635	5.3
273.22125	3.1
279.08783	5.3
279.21243	2.9
281.18994	7.3
281.22678	3.3
283.20526	3.5
291.21109	5.3
295.24219	3.5
299.20035	10.7
301.21625	10.4
303.23322	6.4
309.22006	4.5
313.21945	3.3
315.23239	8.8
317.21527	3.0
323.23639	4.5
327.23175	4.1
333.25433	4.8
341.24716	4.1
347.27286	3.8
355.26288	8.1
361.29007	3.5
373.27399	8.5
375.30405	3.4
377.31918	5.6
387.30457	6.6
393.27490	7.0
393.31638	8.3
395.33328	3.1
405.31494	41.3
406.31760	3.2
411.28137	3.4
411.33011	3.5
421.31119	18.0
423.32623	50.8
424.33035	3.6
425.30246	6.1
433.31070	26.4
434.31174	2.8
439.32169	19.9
441.33496	10.8
451.32065	84.6
452.32349	4.1
457.32916	3.3
459.34695	22.3
469.33240	27.9
487.34094	11.4
505.16675	11.3
505.35068	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	505.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	7.9
55.05506	27.5
57.07069	14.9
64.54482	4.8
67.05511	30.2
69.03430	8.1
69.07069	46.0
71.08652	5.2
72.71491	5.9
79.05492	24.5
81.03407	6.0
81.07053	49.8
83.08619	21.4
85.06518	7.3
89.92663	5.6
91.05454	26.8
93.07059	40.5
94.43133	6.3
95.04984	6.5
95.08598	57.7
97.06531	17.8
97.10167	7.9
104.29542	5.7
105.07034	37.6
107.08588	55.2
109.06500	6.4
109.10155	33.7
111.08094	12.4
117.07037	6.8
119.08592	54.3
121.10140	29.0
123.08101	11.2
123.11681	16.0
125.09628	60.1
131.08578	20.4
133.10124	34.6
135.08026	6.9
135.11722	37.0
135.16846	5.6
143.08586	11.7
145.10162	33.3
145.22362	5.4
147.11720	29.5
149.13228	13.9
151.11197	5.6
152.55598	5.0
153.09090	12.2
157.10098	9.9
159.11708	23.2
161.13295	15.4
163.11148	10.0
163.14784	11.9
171.11690	9.8
173.13286	18.2
175.14771	10.6
181.12247	17.1
184.56642	5.8
185.13300	16.6
187.14859	38.0
189.16316	14.3
191.14293	13.6
191.17921	9.7
195.00316	69.0
201.16405	46.3
203.10835	6.9
203.17931	35.3
213.16396	14.0
215.17938	10.0
237.14853	18.5
269.22672	17.8
311.25641	11.2
391.29959	9.0
409.30997	24.3
413.26825	6.5
425.34134	10.6
427.31943	100.0
428.32376	13.1
505.27719	72.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42383	3.5
55.05499	12.6
59.48017	3.3
65.03941	5.7
67.05502	20.7
68.99775	7.2
69.07056	8.0
71.04980	4.1
71.33076	5.0
77.03925	3.6
79.05083	3.6
79.05492	18.4
81.07043	36.4
82.56400	3.8
83.04958	8.8
83.08600	12.9
89.25604	3.5
91.05460	37.3
93.07043	39.0
93.64003	4.7
94.04163	4.7
95.04947	9.0
95.08601	48.8
97.06509	3.7
98.77528	4.3
99.08073	18.2
103.05450	8.2
105.07036	70.3
107.04919	6.4
107.08576	49.9
109.06511	4.9
109.10157	24.3
111.08047	4.5
115.05450	4.1
117.07014	11.6
119.08577	100.0
120.08936	4.2
121.06496	15.0
121.10141	36.2
122.03619	4.4
123.04429	73.0
123.08051	6.8
123.11678	12.4
124.04759	3.5
129.07037	7.4
131.04874	6.2
131.08557	59.4
133.06465	4.5
133.10118	56.5
135.04381	8.5
135.08029	4.9
135.11670	21.9
137.02333	6.7
137.05971	69.2
137.09581	7.8
142.07809	6.1
143.08488	17.4
145.06494	4.5
145.10101	65.5
147.04367	22.5
147.08026	7.2
147.11668	62.8
148.45532	4.0
149.05978	13.1
149.09578	8.2
149.13214	13.9
151.03918	8.4
151.07561	8.8
153.01807	7.7
156.09358	3.8
157.10095	32.7
159.11703	44.3
161.05986	15.8
161.09622	5.7
161.13174	17.2
163.03876	38.1
163.07533	7.5
163.11131	5.3
163.14761	7.8
165.09070	14.5
169.10155	7.5
170.10896	6.1
171.11679	14.9
173.05991	7.4
173.13240	39.6
175.03835	4.8
175.07455	4.9
175.11124	5.7
175.14842	35.3
177.05486	6.9
177.16402	27.5
183.11685	10.9
185.13248	24.1
187.14816	92.4
189.05354	6.0
189.16394	22.7
191.14326	11.1
195.10059	5.8
197.13245	10.8
199.07382	4.1
199.14828	33.7
201.05367	4.9
201.16357	56.2
203.10812	4.0
203.14211	18.2
203.17888	8.7
205.15866	80.4
211.14833	9.4
213.16417	11.2
215.17873	4.9
217.15842	12.7
219.17409	12.6
221.15511	6.4
223.07584	11.2
225.16260	5.8
229.15865	5.9
231.17471	5.0
237.09200	4.9
239.66605	3.9
249.05441	4.6
251.07034	10.5
265.08490	4.7
269.08054	53.3
279.06470	5.6
279.10443	5.6
293.08118	6.0
295.05939	18.1
297.11026	6.6
307.09634	6.1
309.10733	4.5
311.09113	17.0
325.10846	3.9
335.09018	6.8
351.26892	6.0
353.10065	32.6
354.10657	5.0
377.31931	4.3
387.30219	5.2
393.31296	11.9
396.69247	4.2
405.31427	24.3
411.32648	9.1
419.76257	3.8
423.32565	35.0
439.32199	8.4
451.31940	12.3
461.17636	11.6
462.77762	4.6
469.33362	25.7
487.15866	8.0
505.14960	25.0
505.20871	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	505.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	8.8
55.05500	23.4
57.07064	6.5
61.59276	4.8
67.05497	76.6
69.03415	5.3
69.07088	25.7
69.64249	10.3
69.64668	15.7
71.04973	23.9
78.06170	4.7
79.05497	32.4
81.03410	5.3
81.07054	84.9
83.04974	14.6
83.08626	13.3
85.06564	9.1
91.05455	34.4
93.07045	53.0
95.04974	9.0
95.08595	100.0
97.06523	10.1
97.10149	11.4
99.04443	10.6
102.66730	4.9
105.07024	34.2
107.08597	50.5
109.06567	11.8
109.10144	40.8
111.08092	21.6
117.06968	5.0
119.08550	39.4
121.10146	43.8
123.08046	6.9
123.11715	13.9
125.09625	8.7
129.07047	6.7
131.08582	19.5
133.10121	29.3
135.08034	10.5
135.11688	21.4
137.06009	8.1
137.09601	34.2
137.13284	5.8
139.11163	11.6
143.08565	8.0
145.02887	11.4
145.10120	22.6
147.08044	7.6
147.11665	19.4
149.13263	9.7
151.03926	9.2
151.11240	5.8
155.10666	21.7
157.10136	9.7
159.11723	14.2
161.13280	16.4
163.11218	6.6
169.10162	6.2
171.11668	8.9
173.11812	6.6
173.13255	15.2
175.11148	5.0
175.14801	11.7
177.05450	12.1
177.09134	5.9
177.16418	5.1
183.11671	6.8
185.13206	8.9
187.14810	9.1
193.15929	6.8
194.39830	4.4
220.01848	4.7
253.19031	5.0
261.22168	14.0
266.48676	5.3
277.21609	13.5
279.23212	45.7
297.24130	12.5
415.32022	10.2
433.32983	7.5
443.98764	5.9
505.23636	10.9
505.30573	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	505.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10927	0.5
51.02370	0.6
53.03953	4.4
53.58350	0.5
55.01860	1.5
55.05260	1.0
55.05512	15.9
57.03428	1.8
57.07077	49.1
57.24230	0.6
58.07436	0.8
59.08383	0.6
65.03938	1.9
67.05506	33.6
68.05795	0.6
69.03430	2.6
69.07070	13.4
69.09512	4.5
69.09921	0.8
71.04990	1.6
71.08634	36.0
79.05495	15.7
81.03419	99.9
81.07059	38.1
82.03735	1.5
83.05000	3.9
83.08621	35.7
85.06549	1.4
85.10181	19.8
91.05482	21.1
93.07046	11.9
95.04971	28.2
95.08607	34.5
96.05325	1.0
96.08959	0.8
97.02916	2.0
97.06546	1.3
97.10172	9.8
98.22605	1.4
99.08099	1.3
99.11737	1.8
103.05506	0.7
105.07027	16.1
107.04955	7.0
107.08602	5.6
109.06522	3.9
109.10156	16.8
111.04456	2.1
111.08088	9.7
111.11716	2.7
113.05981	0.7
115.05465	2.2
116.06203	0.8
117.07044	2.5
119.04967	0.9
119.08584	13.9
121.06494	3.2
121.10143	6.6
123.04417	1.6
123.08089	1.8
123.11707	8.8
125.09669	0.9
125.13273	1.3
128.06241	1.1
128.62289	0.6
129.07001	9.9
131.08575	8.3
133.06496	3.4
133.10101	5.1
135.11699	1.5
137.05905	0.8
137.09666	2.2
137.13268	2.9
139.14790	0.6
142.07790	2.5
145.10094	0.9
147.08052	3.5
147.11699	8.3
149.09618	4.3
149.13329	0.7
151.14813	1.4
157.10120	10.1
163.11119	0.6
165.12807	2.2
165.16501	0.8
175.11179	10.5
185.13287	0.7
193.12253	67.7
194.12613	2.6
203.14444	0.6
205.12216	0.8
213.12845	0.7
221.22720	1.7
231.13850	1.2
239.23685	11.3
246.80995	0.6
249.14867	9.6
267.12518	0.7
267.15625	0.6
277.21628	1.0
313.27545	0.7
487.26404	0.9
505.38898	100.0
506.39139	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	506.223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84570	0.7
53.03947	1.2
55.01858	1.7
55.05508	1.3
57.03438	10.8
59.04992	1.0
61.02925	0.8
69.03430	2.6
69.38799	4.9
71.04990	78.8
73.02908	2.5
74.99004	0.7
75.04463	4.4
81.03442	1.3
83.04977	7.1
85.02902	100.0
86.03226	1.5
87.04464	1.5
91.05462	0.9
93.07051	1.1
93.29939	0.7
97.02890	3.0
98.22641	1.1
103.05450	1.8
105.07043	0.7
107.04971	1.1
111.04416	3.9
121.06508	5.3
127.03870	3.6
129.05472	41.6
135.08058	1.0
137.05994	1.3
140.04655	6.1
145.04974	2.5
146.08131	1.4
147.06517	20.7
147.07629	1.4
149.05963	3.7
153.05463	3.6
163.07524	0.8
164.09213	3.1
173.05972	0.9
181.08586	24.4
191.07063	1.2
205.08586	3.2
213.95564	0.8
217.08723	0.9
232.07208	0.9
247.09726	6.3
255.08749	0.8
257.75095	0.9
265.04727	2.9
506.20486	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	14.1
57.03432	4.5
57.07063	9.2
66.15970	3.0
67.05495	37.3
67.16109	3.1
68.61774	3.4
69.07063	13.3
71.04958	4.5
74.74581	3.3
79.05482	14.8
81.07051	44.6
83.08609	7.6
85.02881	3.4
85.06532	6.8
86.09706	4.5
86.65587	3.0
90.87796	3.0
91.05474	19.8
93.07052	21.3
95.04948	4.4
95.08595	40.5
97.06560	7.3
98.23338	6.0
99.08099	5.4
103.05453	8.1
104.10725	4.4
105.06999	16.8
107.08611	17.9
109.06525	5.6
109.10138	23.3
111.08088	5.4
117.07027	6.9
119.08597	20.8
121.10148	11.6
123.08078	5.5
123.11686	9.3
125.09667	5.6
127.11167	3.8
129.07001	4.0
131.04924	4.8
131.08542	5.5
132.78296	3.5
133.06458	7.1
133.10103	17.8
135.08020	6.6
135.11665	17.9
137.05977	49.1
137.09560	3.8
137.13220	5.9
143.08560	9.4
145.06395	3.6
145.10030	8.9
147.11662	10.6
148.05157	3.9
149.13272	3.9
151.03891	32.0
151.07518	13.4
151.14818	7.9
153.05473	4.8
157.10046	4.1
159.11688	5.6
161.09625	3.8
161.13211	14.0
162.06772	5.2
163.07497	10.0
163.14786	4.2
165.09099	9.4
165.12737	4.4
171.07991	5.4
175.07536	6.6
175.14793	5.0
177.09138	4.5
177.12727	4.1
184.07242	7.6
187.14746	4.8
188.08246	7.5
189.16252	4.1
191.10745	3.3
191.17873	4.3
203.10699	18.0
205.15929	6.1
217.19511	32.8
221.11630	21.7
229.23914	4.0
235.20529	35.8
241.12050	3.6
249.18442	3.5
259.13251	3.7
309.24142	8.1
327.15860	4.1
453.33295	10.1
489.31363	5.1
506.30099	18.6
507.30939	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19555	3.8
55.05502	17.9
57.03431	11.7
57.07069	18.9
60.08170	5.0
67.05502	84.0
69.07066	28.7
71.04972	5.9
71.08617	6.4
71.33862	7.8
72.26241	4.1
79.05489	25.7
81.07054	91.6
83.08614	15.2
85.06548	6.6
85.10156	4.9
86.09696	19.2
91.05482	31.8
93.07062	36.3
95.04951	6.4
95.08601	88.0
97.06543	7.4
97.10162	12.1
104.10748	25.7
105.07016	27.6
107.08582	24.8
109.06512	5.9
109.10142	44.2
111.08080	10.0
113.09605	6.7
119.08571	27.3
120.08095	11.2
121.10117	29.8
123.08086	5.1
123.11710	13.3
125.09605	8.1
127.11177	6.2
131.08600	6.6
133.10141	35.4
135.08023	4.5
135.11688	27.6
137.13252	20.4
145.10091	14.1
147.11694	21.6
149.13272	10.4
151.11198	4.5
151.14796	15.3
159.11687	9.0
161.13225	25.1
163.14830	4.3
168.08929	4.3
170.92618	5.3
175.14856	12.6
184.07365	25.8
187.14757	9.5
189.16351	6.9
217.19489	74.2
217.21387	6.8
235.20522	78.6
253.04456	4.5
269.09799	5.1
309.24103	37.8
408.94296	4.4
471.29999	8.7
506.30219	17.8
507.31021	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46485	3.3
55.05517	3.8
55.41562	2.8
60.38968	3.4
67.05521	7.1
69.07069	9.7
71.32397	2.8
71.32891	4.1
79.05501	11.3
81.07052	18.8
84.78410	3.2
85.06544	7.1
91.05466	8.6
93.07022	18.4
95.04984	3.8
95.08610	24.7
97.06514	4.9
100.11278	7.6
102.85984	3.2
105.07048	14.2
107.08587	24.7
109.10155	12.6
111.04468	3.4
119.08591	19.2
121.10126	15.0
123.08085	4.8
123.11714	6.0
127.07504	4.5
131.08566	7.4
133.10147	10.9
135.08095	7.5
135.11699	33.0
137.05972	8.4
143.08513	3.6
145.10150	12.8
147.11679	12.9
149.09612	3.5
149.13269	6.9
157.10179	6.7
159.11693	9.1
161.13260	6.8
163.14856	8.5
171.11630	5.5
173.13345	5.8
175.14835	7.5
177.08942	3.6
177.16396	6.1
182.35292	3.2
189.16435	6.1
197.13257	3.9
199.14801	6.9
201.12801	4.7
213.16476	3.4
215.14285	4.0
217.15913	4.7
328.09164	4.2
329.09982	4.9
329.21182	7.2
343.11844	6.0
344.12082	13.1
379.29721	5.7
407.29486	6.7
425.24857	6.7
425.30493	100.0
426.30643	7.6
443.31650	14.8
453.29648	5.3
471.30679	11.6
506.17191	6.7
506.39124	7.4
507.27094	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	506.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67154	5.5
55.05509	29.0
57.07055	7.6
61.51741	5.7
67.05512	31.2
68.05878	5.3
69.07089	30.4
71.31921	9.4
75.09208	6.0
79.05503	27.7
81.07053	34.7
82.51968	6.0
83.04995	14.1
83.08629	18.3
85.06549	18.0
90.17011	5.7
91.05492	34.0
93.07045	43.1
95.04961	15.3
95.08599	55.1
96.08973	10.4
97.10179	10.6
99.08115	15.3
101.06029	11.4
103.05482	8.9
105.07018	35.4
107.04988	7.4
107.08598	44.9
109.06572	6.0
109.10169	35.1
111.08080	5.9
115.05492	7.2
117.07055	9.5
119.04889	7.8
119.08590	44.4
121.06541	9.5
121.10157	41.2
123.08080	9.4
123.11713	13.9
125.09576	8.0
129.06990	7.7
131.04922	7.2
131.08557	14.9
133.10121	34.7
135.08109	10.4
135.11703	38.2
137.05980	36.8
139.11180	12.1
143.08585	22.7
145.10123	32.0
147.08044	7.7
147.11697	23.1
149.13292	18.8
151.03928	83.2
151.05046	10.6
151.07526	14.5
152.04277	20.6
153.05472	7.1
153.09171	9.7
154.78908	6.3
157.10150	24.5
159.11717	20.4
161.05949	10.1
161.13284	13.9
163.07562	6.8
163.11209	10.1
163.14848	6.9
171.11742	18.3
173.13263	22.7
175.07693	8.1
175.11208	9.5
175.14946	9.1
177.12706	8.6
177.16443	6.2
185.13252	17.4
187.11234	6.5
187.14720	13.2
189.12756	15.2
189.16429	17.2
195.11746	6.0
197.13303	15.5
199.13228	7.5
199.14880	19.5
203.10707	15.4
203.14355	12.8
207.17468	20.3
209.15465	6.6
215.14342	24.9
217.15948	9.9
221.11694	10.6
221.15298	6.5
223.13171	7.4
225.16515	7.4
227.16318	11.9
235.16805	7.3
238.05983	7.7
253.19641	7.4
269.19049	11.8
283.09750	6.5
313.10785	29.8
314.11096	42.0
355.95334	6.3
389.28387	8.5
407.29492	23.1
415.24969	7.6
425.30325	100.0
443.31332	36.2
453.29254	8.6
453.34528	9.0
463.31824	12.8
471.31058	37.5
472.31467	8.1
489.31943	34.5
507.29993	44.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	23.8
57.07078	11.2
64.04876	8.9
66.59721	9.3
67.05512	26.7
69.07061	24.5
70.34594	8.8
70.51173	21.9
72.08160	14.4
77.74865	9.9
79.05501	38.1
81.07056	63.4
83.08575	11.2
85.06561	11.9
91.05472	49.6
91.15040	9.6
93.07047	75.0
95.04984	11.7
95.08600	92.8
97.06539	12.5
105.07027	77.9
107.08582	100.0
109.10155	65.6
111.08098	14.2
117.07053	13.5
119.08597	78.1
121.10141	65.0
123.11697	15.3
125.09637	47.8
131.08563	38.8
133.10103	64.1
135.08110	13.8
135.11694	35.2
137.05974	40.1
137.09648	10.2
143.08528	20.4
145.10120	57.3
147.11639	20.2
149.07059	9.7
149.13283	16.9
151.03899	22.4
151.07497	9.7
153.05493	12.7
157.10033	11.0
159.11717	60.4
161.13275	36.5
163.03818	19.4
163.14841	20.1
163.82555	10.0
164.04266	11.0
165.12875	10.7
167.11861	24.0
171.11746	14.9
173.13286	35.5
175.14862	42.8
177.09067	12.0
177.16403	23.6
185.13312	15.2
187.14798	76.2
189.16406	73.0
195.11404	13.0
199.14847	26.8
201.16376	74.7
203.10715	20.9
203.18044	25.6
205.15941	31.6
207.17551	10.4
213.16368	43.9
215.17961	49.1
219.17514	28.6
221.11847	19.0
224.69414	10.0
225.16405	11.7
247.16789	13.4
261.18442	13.2
294.18158	13.0
341.24911	10.3
388.02737	10.5
389.31982	17.0
407.33347	65.0
435.32605	35.7
453.33936	73.9
470.32977	12.1
507.30423	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	6.9
55.05507	15.9
65.34748	7.8
67.05499	38.0
68.05860	9.8
69.03432	13.2
69.07069	21.1
71.33516	9.3
79.05498	24.3
81.07051	40.9
83.04975	16.1
83.08617	9.5
85.06543	16.0
91.05469	15.0
92.69984	8.3
93.07052	50.7
95.04961	15.6
95.08594	58.1
96.08954	8.4
97.06524	11.7
97.10160	9.1
99.08060	8.4
105.07021	41.5
107.08582	65.0
107.66231	6.8
109.06565	13.1
109.10154	51.9
110.10440	10.1
111.08079	24.3
119.08571	61.3
121.06516	12.9
121.10139	48.4
123.08105	14.4
123.11706	22.1
125.09636	14.8
131.08571	12.5
133.10103	52.3
135.08031	20.4
135.11664	28.6
137.06001	19.2
137.09650	23.4
138.09924	11.1
139.07527	16.0
139.11189	10.6
145.10147	29.6
147.11679	21.9
149.09583	12.6
149.13179	10.6
151.03946	16.1
151.11147	11.7
157.10133	15.0
159.11682	30.9
161.09645	9.7
161.13243	13.4
163.11171	20.5
163.14719	8.5
165.09088	100.0
166.09441	54.6
171.11676	10.4
173.13258	20.6
175.14856	17.5
177.09146	9.7
185.13210	15.9
187.11185	7.5
187.14835	20.9
189.12708	13.1
189.16389	18.9
192.11310	6.5
199.14827	9.4
201.16405	15.4
203.10725	15.4
204.10980	9.7
205.12241	11.7
219.17287	7.7
235.16940	10.4
256.24957	7.3
272.29681	7.5
327.22968	19.0
345.24261	91.4
397.31058	11.7
415.31888	9.8
425.30383	18.9
443.31540	22.8
453.33411	28.2
471.34891	12.8
506.28961	14.8
507.31644	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	506.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90032	0.9
55.05516	4.4
56.64542	0.8
57.07074	1.7
67.05505	6.3
67.05806	1.0
69.07069	6.5
71.05009	0.9
79.05479	4.5
81.03407	1.3
81.07050	11.1
83.04991	1.1
83.08611	2.2
91.05480	6.8
91.68030	0.9
93.07047	10.8
95.04962	1.8
95.08606	14.2
97.10149	1.2
104.60504	0.9
105.07034	8.0
107.04983	1.2
107.08594	15.8
109.06528	2.0
109.10157	10.8
110.10502	1.0
111.08085	2.5
117.07014	1.6
119.08565	12.6
121.06468	2.2
121.10145	11.3
123.08075	1.3
123.11709	4.4
125.05963	1.1
125.09585	1.2
131.08559	3.5
133.06523	0.9
133.10135	10.1
134.10446	0.9
135.08047	2.3
135.11682	10.9
137.05949	3.1
137.09622	2.2
137.13339	1.2
143.08560	1.8
145.10173	5.1
147.11713	5.7
149.06001	1.0
149.09590	2.1
149.13248	4.8
151.03886	3.1
151.07515	1.9
153.05424	1.6
157.10158	3.0
159.08025	0.9
159.11685	5.3
161.09633	2.0
161.13226	4.1
163.11185	1.6
163.14816	2.4
165.09157	1.1
165.12773	1.5
169.10252	1.0
171.11710	3.4
173.13226	4.8
175.07617	1.4
175.11211	1.4
175.14818	7.5
177.12828	1.9
177.16391	8.9
179.14285	1.9
185.13356	1.9
187.14838	3.0
189.12782	1.5
189.16382	9.3
191.10719	1.2
191.14307	1.9
191.17976	2.5
193.08540	1.0
193.12303	1.0
193.15843	1.9
199.14799	1.6
201.12775	1.4
201.16368	2.2
203.10704	1.1
203.17996	1.3
205.12216	2.6
205.15903	2.1
207.13770	1.1
207.17416	2.3
209.15550	1.0
213.16377	1.7
215.17897	2.0
217.15923	2.7
217.19536	0.9
219.17436	2.6
227.18114	1.2
233.19208	1.1
235.16957	1.5
237.18495	1.0
239.18007	1.3
241.19536	1.1
249.15108	0.9
253.19446	1.3
269.18878	1.2
271.20529	0.9
281.18964	1.1
283.20706	0.9
299.19983	1.4
301.21631	1.2
313.21570	1.7
315.19534	1.4
317.20981	2.3
319.22858	1.0
331.22482	2.0
385.30502	1.0
395.33252	1.4
413.34210	1.6
435.32974	4.0
443.35068	3.2
453.33600	27.5
454.33795	2.7
471.34714	100.0
472.35028	11.4
489.35794	11.7
490.36139	1.1
506.33893	1.3
507.31189	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	506.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	12.6
57.07084	15.4
59.25700	2.8
66.62080	3.0
67.05505	24.2
69.07063	15.6
71.04988	3.4
71.08636	7.0
72.08971	4.3
78.90605	2.8
79.05497	10.4
81.03422	21.0
81.07058	28.3
82.03735	5.0
83.04973	4.1
83.08601	18.1
85.06552	2.7
85.10170	3.8
91.05458	10.4
93.07041	19.3
95.04964	6.7
95.08614	52.5
96.08917	4.3
97.06516	9.7
97.10193	3.6
105.07051	16.5
107.08598	23.3
107.86771	3.3
109.10159	23.3
111.08108	4.5
119.08593	40.4
121.06523	5.7
121.10125	14.1
123.11723	12.8
125.09596	3.2
131.08557	7.8
133.10144	22.6
135.11697	25.8
137.13261	5.4
139.11246	3.4
143.08540	3.3
145.10063	4.3
147.11679	13.2
149.09607	3.4
149.13263	7.2
151.11197	4.9
154.18993	2.9
155.80835	3.2
157.10117	3.5
161.13303	4.2
162.13605	3.4
163.14804	7.3
175.14818	3.9
185.13098	2.9
187.14822	5.0
189.16385	49.9
190.16615	4.2
193.08600	6.7
193.12251	7.4
194.12599	6.3
206.71802	3.4
207.17458	75.5
211.09630	7.9
221.07971	5.1
241.19337	3.4
291.23178	18.6
291.26031	2.8
393.34940	3.4
411.36417	7.2
429.37259	100.0
430.37592	10.0
439.35529	6.0
447.23196	3.6
457.36639	22.0
475.37784	11.1
506.39243	28.9
507.34311	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	507.1108
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81992	0.4
69.30522	2.4
69.30931	0.7
71.02809	0.4
103.84017	0.4
108.31889	0.5
109.93945	0.4
127.03864	0.5
136.08699	0.5
140.13457	0.5
143.03479	0.4
153.01825	2.0
154.02158	0.6
156.92511	0.5
177.01646	3.3
192.00333	0.6
192.03917	16.9
193.04753	3.8
210.05055	0.5
233.31194	0.4
250.35957	0.4
337.05228	3.6
369.22324	0.5
373.75143	0.5
458.98953	0.4
476.09262	1.7
477.09982	1.5
507.11063	100.0
508.11374	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	507.1133
Annotation	3,3',4-tri-O-Methylellagic acid 4'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
57.03438	0.7
58.35842	0.5
62.94581	0.6
69.03420	2.3
73.03866	0.6
81.03399	1.1
81.07035	0.6
85.02901	5.4
95.08534	0.7
97.02898	2.1
98.23288	1.8
109.02886	0.7
110.61278	0.6
127.03930	1.5
133.06465	0.6
137.06007	3.0
147.04314	1.0
161.05948	1.5
167.07047	0.7
187.03772	0.8
201.05501	1.1
203.03336	0.7
212.50150	0.6
214.02602	1.0
215.03406	1.2
227.03328	0.6
228.04204	0.7
231.02908	1.4
241.01207	1.2
242.02054	1.7
243.02921	1.1
247.05977	0.8
256.03720	0.7
257.51807	0.7
259.02386	2.6
269.00806	1.9
270.01733	1.4
271.02338	2.6
285.04025	4.9
287.01880	6.8
299.01828	11.6
299.05136	0.7
301.03464	1.2
312.02585	1.1
313.03369	11.1
314.04172	17.9
315.01331	8.2
315.04565	1.1
316.01794	1.3
323.06421	0.7
329.02731	1.4
330.03680	27.1
331.04007	1.5
345.06039	100.0
346.06427	5.7
350.55710	0.6
370.27710	0.6
494.83441	0.6
507.18265	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1133
Annotation	5,2',6'-Trihydroxy-7,8-dimethoxyflavone 2'-glucuronide
Peak:m/z	Relative Intensity
51.74579	0.2
53.03930	0.3
55.01865	0.5
55.05500	0.5
57.03441	1.5
57.03652	0.2
57.07059	0.3
58.16399	0.2
63.47354	0.2
67.01846	0.3
67.05495	0.8
69.03428	0.7
69.07050	0.7
71.01338	1.3
73.02917	2.2
79.05470	0.9
81.03402	0.5
81.07055	1.1
83.08593	0.3
85.02903	7.2
85.06546	0.5
87.18751	0.2
91.05472	1.3
92.02625	0.9
93.03400	0.6
93.07030	1.3
95.01314	0.7
95.04958	0.6
95.08604	0.8
97.02885	0.9
99.00776	0.5
101.02351	0.5
103.03944	0.5
103.05444	1.0
105.07001	1.0
105.08276	0.2
107.04957	0.8
107.08575	0.9
109.02847	0.5
109.06506	0.4
109.10142	1.1
111.04440	0.4
113.02352	2.0
115.05429	0.4
117.07030	0.5
119.08583	0.8
121.02875	1.3
121.06504	0.7
121.10149	0.8
123.04410	0.6
123.11742	0.6
128.06236	0.6
131.03394	1.1
131.04890	0.6
131.08598	0.4
132.05777	0.3
133.02859	0.3
133.06477	0.3
133.10115	0.3
135.04446	0.4
135.08028	0.6
136.05054	0.2
137.02365	0.4
137.05959	2.5
139.03914	0.3
139.11247	0.3
140.04659	1.3
141.01831	1.2
143.08557	0.8
145.06473	0.6
145.10138	0.6
146.07265	0.5
147.04434	0.6
147.08043	0.5
147.11674	0.3
148.05180	0.3
149.05974	0.6
151.03914	2.5
151.07533	1.5
153.01810	1.1
153.05418	0.7
153.06734	0.2
157.10176	0.4
159.02888	1.1
161.05948	2.3
161.09627	0.5
163.03867	1.1
163.07538	1.5
163.11203	0.3
164.08278	0.6
165.05595	0.3
165.09111	1.5
167.03395	11.6
167.07123	0.3
168.03767	0.3
171.07945	0.3
175.07520	1.0
177.05518	0.5
177.09087	0.7
178.09854	1.0
179.03494	0.3
179.10641	0.6
180.57405	0.2
181.04907	0.6
181.08595	0.4
181.10072	0.3
187.07568	0.4
189.09096	1.3
193.08643	0.4
200.04741	0.4
201.09267	0.3
203.06966	0.5
205.08623	0.9
207.10187	1.0
213.05405	0.5
215.07066	0.8
217.04945	1.1
223.09569	0.7
229.04530	0.3
229.08609	0.3
231.06441	1.8
231.10036	0.4
232.07277	0.8
242.05705	1.7
243.06517	2.8
244.07167	0.3
245.04483	1.0
259.06036	2.3
260.06802	1.6
270.05270	0.3
271.05865	1.8
273.03973	0.5
273.23944	0.3
275.09180	0.5
281.11667	0.3
281.14642	0.3
283.09613	0.5
285.07544	0.4
287.05478	3.1
288.06305	3.9
289.10870	0.3
298.04779	0.6
299.05499	2.9
299.12643	0.4
301.06882	0.4
313.06943	0.3
313.10620	0.3
313.14154	0.5
315.04919	1.1
316.05753	14.6
317.05988	0.7
327.12421	0.9
327.16113	0.5
329.06305	0.6
330.07278	4.3
331.08090	100.0
332.08469	6.3
345.09708	12.0
345.16568	3.8
346.09991	0.7
351.59052	0.3
477.01358	0.3
507.14838	1.6
507.21066	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1134
Annotation	5,2',6'-Trihydroxy-7,8-dimethoxyflavone 2'-glucuronide
Peak:m/z	Relative Intensity
55.01864	0.4
57.03432	1.1
67.05500	0.3
69.03420	0.7
69.07045	0.2
69.20998	1.6
70.20941	0.2
71.01350	1.3
73.02916	2.6
79.05495	0.3
81.07053	0.5
83.01331	0.4
83.08625	0.2
85.02903	6.8
85.06548	0.8
92.02619	0.6
93.03406	0.9
93.07018	0.4
95.01311	1.2
95.04918	0.2
95.08593	0.5
97.02915	0.4
98.22519	0.2
99.00801	0.5
101.02359	0.6
103.03941	0.5
103.05459	0.3
105.07024	0.3
105.99258	0.2
107.08594	0.4
109.10146	0.3
113.02363	3.1
121.02861	1.1
121.10162	0.3
122.34698	0.2
123.04416	0.5
125.02332	0.2
131.03415	1.1
131.04900	0.2
137.05969	1.8
140.04681	1.2
141.01826	1.3
147.11725	0.2
148.12068	0.2
151.03883	1.6
153.01823	0.3
153.05472	0.5
159.02834	1.0
163.03818	0.3
163.07605	0.4
165.09138	0.3
166.02623	0.5
167.03401	12.5
168.03865	0.3
177.05463	0.3
179.03419	0.8
187.07513	0.3
213.05513	0.3
214.06178	0.5
215.07060	1.0
217.04991	0.3
231.06508	1.2
232.07286	0.8
233.04297	0.3
235.05482	0.2
241.04929	0.3
242.05688	1.5
243.06514	3.1
245.04434	0.9
259.06012	1.7
260.06778	2.0
270.05154	0.3
271.05972	1.9
272.06552	0.3
274.04718	0.2
275.09296	0.3
285.07574	0.6
287.05539	2.4
288.06281	4.3
288.09421	0.3
298.04694	0.5
299.05530	3.0
299.12674	0.3
301.03198	0.2
311.12762	0.4
315.05026	0.4
316.05759	14.4
317.06113	0.7
329.13736	0.3
330.07272	0.2
331.08093	100.0
332.04437	0.3
332.08444	6.2
345.13397	0.3
378.25235	0.2
426.11639	0.2
476.54166	0.2
507.18311	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.15
Annotation	Junipegenin B 7-O-glucoside
Peak:m/z	Relative Intensity
53.03930	0.4
54.32357	0.2
55.01841	0.3
55.05472	0.2
57.03439	1.0
61.02923	1.1
67.05477	0.2
69.03432	3.9
69.07035	0.2
69.39083	0.2
69.80469	0.7
71.01335	0.2
71.04957	0.4
73.02880	0.6
75.71795	0.2
79.05457	0.4
81.03423	1.2
81.07034	0.4
85.02903	7.6
87.04428	0.8
91.05462	0.4
93.07005	0.5
95.08571	0.5
97.02872	2.0
99.04424	0.5
101.02413	0.2
103.03922	0.3
105.07018	0.4
106.87456	0.2
107.04913	0.3
107.08575	0.4
109.02881	1.1
115.03890	0.2
119.08543	0.4
121.02895	0.3
121.10091	0.3
127.03935	1.7
131.08495	0.2
133.10085	0.2
135.11655	0.2
137.05971	0.7
139.07523	0.2
143.08592	0.2
145.04926	0.6
145.06454	0.2
145.10132	0.3
146.03581	0.2
151.03894	1.0
151.07460	0.3
167.03406	1.1
173.92867	0.2
175.07491	0.2
187.07626	0.2
189.09167	0.3
203.07057	0.7
231.06517	3.6
232.06702	0.2
243.06572	0.3
245.04530	0.2
255.06491	0.4
257.08038	0.2
259.06006	10.0
260.06360	0.3
271.05933	0.5
272.06689	0.3
285.07565	0.4
287.05490	11.6
288.05814	0.7
299.05423	0.2
300.06287	0.6
301.07108	1.9
302.07727	0.8
311.05389	0.4
312.06223	0.3
313.07062	0.6
314.04169	0.4
315.04980	29.8
316.05371	1.6
327.08600	0.3
328.05817	0.2
329.06577	4.2
330.07321	37.5
331.07697	2.2
343.08124	2.5
345.09671	100.0
346.10019	5.7
354.07095	0.3
369.09680	0.3
387.10730	2.9
460.35187	0.3
489.13736	0.2
507.14984	7.6
507.29974	0.3
508.15271	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1496
Annotation	Mikanin 3-galactoside
Peak:m/z	Relative Intensity
55.01836	0.3
55.53445	0.2
60.20422	0.2
67.05479	0.5
69.03395	0.5
69.51516	1.1
69.51917	0.7
79.05450	0.5
81.07032	0.6
85.02863	0.6
91.05455	0.7
93.07004	0.9
95.08553	0.6
105.07014	0.5
107.04987	0.3
107.08544	0.8
108.02082	3.0
109.10141	0.4
117.03291	0.3
119.04892	0.3
119.08524	0.6
121.10127	0.5
123.04404	0.3
131.08505	0.3
133.02826	0.5
133.10072	0.5
135.04364	0.5
136.01537	1.7
137.05956	1.5
147.11572	0.3
148.05183	4.5
149.05956	2.5
149.13147	0.3
151.03880	2.2
153.01842	0.4
154.02570	1.1
157.06441	0.4
161.13344	0.3
163.03969	0.4
163.07578	0.4
165.09029	0.7
179.07011	0.3
185.05988	1.4
197.06073	0.3
205.08603	0.3
213.05486	1.4
217.05103	0.3
227.07022	0.6
241.04910	1.6
256.07275	2.7
259.05917	1.0
269.04425	5.7
282.05093	0.3
283.09735	0.3
284.06775	30.6
285.04034	0.6
285.07169	1.6
286.04639	0.4
287.05444	2.5
297.04019	2.4
297.07248	0.5
300.06335	0.4
301.07104	0.8
302.07718	0.9
312.06268	26.5
313.06702	1.5
315.04953	4.0
325.63541	0.3
329.06473	2.0
330.07318	25.3
331.07568	1.5
345.09668	100.0
346.10010	4.6
507.14951	48.9
508.15112	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	507.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.4
55.05508	1.8
57.03436	1.9
57.07074	1.8
59.79101	1.0
59.84418	1.1
65.03956	1.8
67.05501	3.8
69.03420	2.9
69.07077	2.5
69.24709	9.1
71.04971	1.3
73.02908	2.8
79.05486	4.7
81.03401	1.9
81.07050	7.5
83.04974	1.4
83.08605	1.5
85.02899	10.8
85.06530	1.7
89.31965	1.0
91.05479	6.4
93.07035	7.6
95.01349	1.2
95.04953	1.9
95.08591	6.1
97.02894	2.4
97.06531	2.0
103.05460	4.9
105.04613	1.1
105.07042	6.4
107.04922	2.6
107.08565	3.7
109.02853	2.4
109.06540	2.4
109.10152	3.1
111.08060	1.3
113.02353	3.1
115.05462	2.8
117.06995	2.1
119.04964	1.2
119.08588	3.4
121.02850	1.9
121.06503	3.3
121.10130	4.5
121.66689	1.0
123.04424	3.9
123.11711	2.9
125.02299	1.3
128.06247	3.3
131.04932	3.6
131.08574	2.5
133.06500	3.1
133.10150	2.7
134.10495	1.0
135.04420	1.6
135.08073	3.6
135.11682	2.1
136.05244	1.2
137.05995	10.5
137.09587	2.5
139.03889	2.0
141.01845	1.6
143.08585	4.3
145.06506	2.7
145.10097	2.6
146.07283	2.6
147.04433	3.1
147.08035	1.2
147.11705	1.2
148.05191	1.7
149.05956	6.7
149.09703	1.8
151.03912	7.1
151.07535	8.6
153.01814	8.9
153.05444	2.9
157.10243	1.4
159.11649	1.1
161.05980	18.1
161.09618	2.7
163.03894	3.8
163.07565	9.1
164.08340	5.3
165.05600	2.4
165.06946	1.3
165.09122	11.9
167.03403	12.1
167.07007	1.8
171.08000	2.4
175.07585	2.0
177.05489	1.9
177.09026	6.2
178.09891	4.2
178.57884	1.1
179.03395	1.4
179.10631	3.7
181.04938	1.3
189.05411	1.8
189.09108	12.3
193.04984	1.2
193.08675	2.8
195.08093	1.6
203.07060	2.8
203.10677	1.7
205.08612	7.0
207.10158	5.7
211.09630	2.8
221.08063	1.3
223.09590	8.6
231.06618	3.0
232.07065	1.1
243.06456	3.4
245.04349	1.7
259.06039	2.7
260.06750	2.1
269.04660	1.8
271.06049	2.8
284.06876	2.0
287.05536	14.6
288.06223	6.6
289.10712	3.1
299.05463	4.2
299.12695	3.8
301.07233	2.5
301.10770	3.2
302.07611	1.8
315.05121	9.5
316.05762	14.9
319.11493	1.6
327.12415	4.5
327.15958	2.5
329.06662	8.2
330.07355	33.9
331.08099	100.0
332.04974	1.1
332.08316	6.9
345.09702	85.9
345.16617	26.0
346.09961	5.1
346.17163	1.8
464.25925	2.4
507.15005	7.6
507.21390	2.6
508.20886	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2227
Annotation	Aviculin
Peak:m/z	Relative Intensity
53.03928	3.1
55.05497	3.1
57.03411	4.0
61.97283	2.4
65.03945	5.0
67.05497	4.0
69.03426	10.7
69.07066	4.8
69.58047	10.2
70.29518	2.4
71.05001	3.9
73.02924	3.0
76.76132	2.4
79.05492	8.3
81.03420	9.3
81.07052	10.4
85.02921	20.2
85.06520	6.9
91.05486	9.1
93.07037	17.9
94.07376	4.1
95.04963	7.3
95.08608	9.7
97.00214	2.7
97.02869	7.3
97.06525	4.1
98.23316	3.6
103.05479	6.7
105.07000	7.3
107.04931	3.1
107.08593	9.1
109.02869	5.2
109.06510	3.6
109.10135	5.5
113.02341	4.0
119.08597	4.4
121.02876	66.5
121.03797	4.3
121.10150	12.4
122.10504	5.9
123.04438	5.2
123.08077	5.3
123.11737	4.0
127.03889	2.8
131.04889	3.8
131.97586	2.4
135.04422	3.5
135.08095	2.9
135.11693	3.3
137.02303	5.5
137.05956	19.2
139.03941	12.0
145.06499	3.6
145.10162	3.6
147.04381	3.7
147.11682	5.8
149.06015	4.4
149.09625	12.2
151.03900	10.3
151.07571	5.9
153.01843	4.1
153.05574	2.5
158.83299	2.5
163.03973	2.5
165.05498	2.8
165.09090	6.6
167.07132	3.1
167.10693	3.7
171.11595	2.9
175.07573	5.4
177.05348	2.9
181.04932	7.4
189.09163	2.5
189.12750	6.1
189.14612	2.3
191.10658	2.7
193.04921	2.8
193.08604	2.9
205.08626	2.8
207.13820	8.7
221.08083	6.3
229.08614	3.0
253.42355	2.7
257.08054	5.2
265.07080	6.0
269.08649	3.9
283.08151	7.4
312.15421	3.1
329.13998	3.0
331.08096	100.0
332.08377	7.0
334.22775	2.4
340.94409	2.7
345.09698	11.4
345.13425	4.9
473.39011	2.6
507.17679	11.3
507.23819	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	507.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.8
54.40150	0.5
54.55703	0.5
55.01870	1.0
55.05502	1.7
59.04993	1.3
65.03673	0.5
65.03945	4.6
66.80640	0.5
67.05513	3.1
69.07067	3.8
71.31861	0.5
71.32255	0.5
74.66625	0.5
79.05490	6.0
81.03412	0.8
81.07062	4.4
83.04969	0.8
83.08615	0.7
91.05478	10.0
93.03401	4.3
93.07040	4.3
94.04188	3.8
95.04986	3.4
95.08592	3.8
97.06532	1.2
98.26929	0.5
103.05468	12.4
105.07022	8.9
106.07350	0.5
107.04959	3.5
107.08582	3.4
108.02079	0.7
109.06496	2.1
109.10162	2.2
110.03680	1.2
111.04442	7.1
114.56576	0.5
115.05476	2.4
116.06238	0.7
117.07033	5.0
119.04936	3.8
119.08572	3.0
121.02883	0.5
121.06483	1.2
121.10107	3.3
122.03645	7.1
123.04385	0.9
123.11683	1.2
125.05990	7.0
128.06201	4.9
129.06999	1.6
131.04936	9.2
131.08562	2.4
132.05621	0.5
133.06497	4.5
133.10144	3.8
135.04422	0.9
135.08063	3.6
135.11685	2.2
136.05202	0.5
136.12077	0.6
137.05974	100.0
137.13191	0.6
138.06314	2.1
139.03897	0.6
141.06995	0.9
142.07805	0.9
143.04808	0.6
143.08562	14.7
144.05658	0.9
145.06485	13.1
145.10114	3.3
146.06960	0.8
146.10393	0.6
147.04430	1.3
147.08034	2.0
147.11708	0.9
148.05183	5.8
148.12025	0.7
149.05963	1.6
149.13246	0.6
151.03908	20.6
151.04988	1.5
151.07527	22.1
151.11121	0.6
152.04231	1.3
152.07857	0.6
153.05461	14.1
155.06039	0.6
157.06482	1.1
157.10063	0.9
158.07227	0.8
159.08054	2.7
159.11736	1.0
160.05223	0.8
160.08835	0.9
161.05960	2.2
161.09636	2.1
161.13219	0.6
162.06754	7.9
163.03932	0.7
163.07542	12.8
163.11180	0.8
163.14856	0.5
165.05460	1.5
165.09096	9.8
166.07857	0.7
166.09491	0.7
167.07042	0.9
167.08559	0.6
171.08046	14.8
171.09445	1.1
171.11620	1.0
172.08786	1.5
172.88124	0.5
173.05974	1.8
173.09604	1.1
173.13269	0.6
174.06740	1.6
175.03891	0.7
175.07564	6.7
175.11189	0.9
175.14853	1.0
176.04710	1.5
176.08040	0.5
177.09108	10.5
178.16771	0.5
179.07019	1.7
180.07823	0.6
181.08621	1.1
181.10066	0.7
182.05762	0.5
185.13252	0.9
187.07532	1.1
187.14760	0.7
188.08325	15.0
189.09007	3.3
191.07037	5.2
191.10687	2.3
191.14311	0.6
193.12262	1.7
195.08104	1.3
201.09102	2.1
201.16362	0.7
202.10002	0.6
203.10661	32.8
204.11052	1.4
205.08624	1.2
205.12233	1.7
207.08070	0.8
209.09596	1.4
211.07457	0.8
217.12288	0.8
219.10211	1.7
221.11719	35.7
222.12029	1.6
226.09886	1.7
227.12735	0.9
231.13756	1.5
237.08974	0.8
239.10725	1.1
239.95895	0.6
241.12218	9.0
244.10901	0.6
249.09071	0.5
259.13287	4.6
261.08969	0.7
265.08585	1.9
267.10236	0.7
283.09509	0.9
287.12744	1.4
293.11859	1.0
297.11160	1.9
299.12692	2.7
313.10907	1.1
313.14380	1.9
315.12238	14.5
315.18652	0.6
316.12497	1.1
321.11221	0.8
325.14221	1.1
327.15939	2.7
333.14896	2.5
343.15762	0.7
351.15820	0.9
355.19046	1.7
365.17520	3.1
383.18539	4.4
384.18832	0.7
471.30609	0.6
472.31311	1.4
489.22607	1.3
507.23303	2.6
507.30502	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	507.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92104	0.8
53.03938	2.3
55.01880	1.7
55.05503	3.1
58.37132	0.8
59.04987	0.8
65.03943	6.9
67.05495	5.1
69.07073	2.7
69.13988	8.3
72.16198	0.7
73.57880	0.7
77.03905	0.9
79.05480	9.0
81.03411	2.1
81.07045	5.1
82.07349	0.8
83.04971	1.9
83.08601	1.3
83.96333	0.8
89.03937	0.8
89.34310	0.8
91.04944	1.5
91.05478	20.3
93.03398	4.6
93.07059	6.4
94.04166	2.3
95.04967	6.5
95.08607	4.3
97.06529	2.1
98.22526	1.8
103.05466	20.1
105.04489	0.8
105.07033	15.9
107.04952	28.1
107.08591	4.5
108.02119	2.3
109.06519	2.6
109.10163	2.4
111.04444	4.9
115.05468	6.3
117.07022	6.4
119.04968	8.1
119.08553	4.0
121.06491	2.8
121.10144	3.0
122.03642	5.9
125.05990	6.8
128.06218	6.3
129.06990	2.3
131.04918	13.6
131.08598	3.0
132.05656	1.8
133.06494	7.7
133.10121	2.4
135.04405	1.7
135.08060	5.4
135.11713	2.0
136.05200	2.5
137.05975	75.6
138.06389	1.4
138.26331	1.0
141.05467	1.8
143.08568	12.1
145.06502	9.4
145.10129	2.4
146.07245	4.1
147.04399	5.9
147.08040	3.3
147.11719	2.0
148.05182	4.5
149.05998	3.0
149.09634	1.2
151.03909	100.0
151.04984	6.7
151.07529	32.4
152.04263	2.5
153.05464	12.6
153.06721	1.4
155.08595	1.4
157.06511	1.5
158.07237	1.3
159.08061	3.8
159.11702	1.5
160.05196	3.2
161.05956	2.7
161.09584	4.3
161.13309	1.5
162.06743	7.4
163.07539	41.1
163.11111	1.1
164.08290	5.9
165.07014	1.1
165.09108	15.3
166.07869	0.8
167.08522	1.1
169.06459	1.0
171.08063	11.1
171.11630	0.8
172.08861	1.6
173.05960	1.6
173.09624	1.6
174.06735	1.2
175.07545	45.0
175.11072	1.5
175.14845	1.8
176.08028	1.9
177.05482	1.5
177.09122	9.0
179.07024	3.9
179.08467	0.9
179.10689	2.7
180.07919	1.1
181.06490	0.8
187.07552	1.9
188.08318	11.0
189.05432	1.6
189.09055	8.0
189.10503	1.2
189.16393	1.0
191.07083	3.9
191.10669	2.9
195.08049	1.5
196.08829	0.9
197.09720	0.9
199.07597	2.3
200.08289	1.2
201.09087	3.0
203.08740	1.9
203.10666	39.6
204.11115	2.2
205.12267	2.3
207.13806	1.2
209.09579	1.2
210.10406	1.7
211.07523	1.7
213.12814	1.0
215.10614	5.0
219.10141	3.3
221.11723	52.5
222.12105	2.3
223.07494	1.2
224.08299	1.2
225.09163	1.1
226.09782	3.9
227.10635	2.4
231.13782	2.6
233.09572	1.2
235.07574	2.3
235.11194	1.2
237.08963	1.1
238.09897	1.1
239.07140	1.0
241.08495	1.3
241.12221	8.1
251.06989	1.2
251.10605	1.0
253.08592	1.4
255.10173	1.9
259.13303	47.6
260.13620	2.2
261.09012	1.1
263.06915	1.1
267.10211	2.6
268.11081	1.0
281.11691	2.6
281.17392	1.2
283.09738	0.9
292.10706	1.1
293.11752	3.0
295.13232	2.4
297.11346	1.3
298.12042	1.3
299.12772	9.4
301.12299	1.5
311.12714	2.4
313.10916	1.2
313.14417	3.3
315.12256	5.3
325.14322	6.1
327.15933	17.4
328.16403	0.9
333.14780	3.7
345.10809	0.8
365.17563	6.8
383.18579	11.2
426.30728	1.2
489.22379	2.0
489.28912	1.9
490.34509	1.0
507.30240	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	507.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.9
53.03937	1.4
55.01845	2.1
55.05499	0.7
59.04984	0.9
59.98584	0.7
65.03943	7.0
67.05518	3.3
67.24657	0.7
67.25005	0.7
69.07029	7.1
70.33463	0.7
77.03915	1.0
79.05478	4.7
81.07033	1.3
91.05478	10.1
92.05811	0.8
93.03404	4.0
93.07044	1.7
94.04189	4.0
95.04970	4.1
95.08579	1.3
100.05858	0.7
102.85789	0.7
103.04768	0.9
103.05467	17.4
105.04504	1.0
105.07036	16.4
106.07433	0.8
107.04263	0.9
107.04955	14.9
107.08583	0.9
108.02085	2.7
109.02980	0.8
109.06494	2.0
110.03653	1.0
111.04447	5.1
115.05430	4.8
117.07037	5.8
119.04942	6.0
119.08568	1.5
121.06491	1.5
121.10159	1.0
122.03651	8.1
125.05991	7.5
128.06218	3.9
129.06996	1.5
131.04927	13.2
131.08585	2.1
132.05705	1.2
133.06487	11.8
133.10091	1.4
135.04399	0.8
135.08049	5.1
135.11646	0.8
136.01605	0.7
137.05975	97.1
138.06323	2.4
141.05475	2.5
143.08562	9.4
144.05727	1.1
145.06479	12.2
145.07556	0.9
145.10114	1.4
146.07224	2.0
147.04401	4.9
147.08055	2.7
148.05173	3.5
149.05995	2.6
151.03911	100.0
151.04976	6.8
151.07521	23.1
152.04239	3.2
153.05469	11.8
155.08598	0.7
157.06476	1.4
158.07297	0.9
159.08080	3.5
159.11646	0.7
160.05252	1.4
161.05988	4.3
161.09641	3.1
162.06758	9.1
163.07545	25.2
164.08313	3.3
165.09109	16.3
167.60078	0.6
169.10101	0.7
171.08064	11.4
172.08829	1.7
173.06030	2.2
173.09618	1.7
174.06789	1.8
175.07547	33.7
175.11229	1.9
176.07938	0.9
177.09102	8.8
179.07083	2.4
179.08517	1.0
187.07578	0.9
188.08328	12.5
189.05455	4.6
189.09132	9.5
191.07016	3.7
191.10736	2.5
198.10410	0.8
200.08331	1.4
201.09161	2.5
203.10663	42.6
204.11095	2.8
205.10147	1.0
209.09685	0.8
210.10439	1.4
211.07654	2.2
215.10733	2.5
219.08266	1.1
219.10240	3.6
221.11725	79.7
222.12070	4.0
223.07599	0.8
225.09125	1.0
226.09956	3.0
227.10733	1.1
229.12300	1.8
231.13873	3.0
233.09677	1.5
235.07558	1.7
238.09850	0.9
239.10840	0.8
241.12216	8.8
245.11789	1.0
249.09035	0.9
259.13306	32.8
260.13660	1.5
261.09271	1.2
265.12314	2.0
266.09610	0.9
267.10187	1.2
269.08328	0.8
270.11948	0.7
281.11777	1.7
283.09677	1.6
283.13629	0.9
287.12671	0.8
289.14337	6.0
293.11777	5.5
295.09973	0.9
295.97241	0.7
297.11426	2.5
298.11923	0.7
299.12799	8.2
313.10925	2.6
313.14441	2.8
315.12210	4.9
325.14349	6.8
327.15900	7.3
333.15115	2.3
335.51782	0.7
343.15509	0.9
365.17520	7.5
381.17078	1.1
381.47845	0.8
383.18518	9.4
384.19073	1.2
489.22549	1.9
507.23779	1.4
507.29587	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	507.238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.9
53.03933	1.6
55.01862	2.2
59.04999	1.2
64.22292	0.6
64.56253	0.6
65.03943	5.4
67.05495	3.0
69.07051	3.4
70.23619	0.7
70.33153	1.8
72.13853	0.7
78.48080	0.6
79.05502	5.8
81.07047	3.0
83.04975	1.2
91.05476	14.5
93.03393	4.3
93.07025	1.8
94.04170	3.2
95.04967	4.4
95.08595	2.0
98.22630	0.8
103.05466	15.4
103.37035	0.7
105.04466	0.8
105.07031	15.7
107.04951	18.6
107.05671	1.0
107.08575	2.1
108.02079	2.0
109.06499	2.5
111.04438	5.4
115.05444	5.6
117.07018	7.0
119.04953	5.3
119.08568	2.3
121.06492	1.6
122.03631	7.2
123.04397	1.3
125.05994	6.0
128.06216	5.1
129.06987	2.1
131.04930	9.8
131.08582	3.0
132.05670	0.8
133.06494	11.8
133.10136	2.0
135.04370	0.7
135.08054	6.0
137.05974	100.0
138.06305	3.1
139.05412	1.3
141.05478	1.5
143.08563	12.5
144.05679	1.2
145.06487	10.5
145.10135	2.2
146.07237	2.2
147.04411	4.9
147.08041	2.6
148.05214	4.3
149.05919	4.5
150.06726	0.8
151.03905	84.4
151.04980	6.5
151.07523	24.9
152.04201	2.0
152.07892	1.1
153.05446	11.6
157.06453	1.0
159.08051	5.2
160.05161	2.0
160.08804	1.6
161.05974	2.0
161.09607	4.6
162.06767	8.3
163.07539	29.7
164.08331	4.7
165.05499	1.1
165.06985	0.8
165.09122	16.7
167.08600	0.8
169.06531	1.0
171.08043	12.1
172.08827	1.6
173.05968	1.7
173.09669	1.2
174.06787	1.3
175.07542	34.0
176.07954	1.6
177.05496	0.9
177.09109	11.1
179.06992	2.5
179.08455	1.0
179.10564	0.8
187.07558	1.2
187.11185	1.0
188.08336	13.1
189.05452	3.5
189.09099	8.3
191.07018	3.4
191.10669	1.8
193.12166	0.9
195.08022	1.2
196.09065	0.7
197.09612	0.9
199.07571	2.7
201.09135	2.0
203.10664	49.9
204.11024	1.8
209.09590	1.2
210.10374	1.6
211.07509	1.8
213.12820	0.9
215.10699	3.0
219.10046	3.5
221.11720	79.1
222.12056	2.9
223.07449	1.1
225.09105	1.9
226.09871	3.7
227.07007	0.8
227.10593	2.1
229.12219	2.1
233.09627	1.6
235.07539	1.5
239.10551	1.1
241.12233	10.9
253.08430	1.4
259.13300	28.8
260.13748	1.3
261.09174	0.9
265.08826	0.9
265.12173	1.1
267.10168	1.5
281.11670	1.1
283.13248	1.6
285.11188	1.3
287.12817	1.2
293.11795	2.7
297.11212	1.0
299.09183	5.2
299.12784	7.0
311.12729	1.3
313.10611	2.4
313.14346	2.3
315.12173	5.0
325.14377	5.0
327.15857	9.9
333.14822	2.0
351.15811	1.0
365.17416	6.6
383.18539	10.5
489.22614	2.1
507.23898	4.0
507.30811	5.0
508.28915	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.238
Annotation	Macaranone A
Peak:m/z	Relative Intensity
53.03936	0.9
55.01875	1.1
59.04990	1.1
61.52687	0.7
65.03935	5.0
67.05498	2.4
69.07049	2.3
79.05486	2.6
81.07061	1.7
88.23458	0.6
91.05482	8.2
93.03412	4.4
93.07048	1.3
94.04183	2.7
95.04965	2.0
95.08602	1.6
98.22527	1.5
99.65479	0.7
103.04848	1.3
103.05479	15.0
105.07032	9.8
107.04953	5.2
108.02058	0.8
109.06550	2.2
109.10173	1.3
111.04463	4.3
112.01575	0.7
115.05486	3.4
117.07036	6.0
119.04942	4.8
119.06718	0.8
119.08607	1.6
121.06453	0.8
122.03657	8.5
125.05981	5.2
128.06186	5.6
131.04929	10.8
131.08601	1.8
132.05783	0.7
133.06490	8.2
133.10123	1.0
135.04425	0.9
135.08066	2.8
137.05981	100.0
138.06308	2.6
141.05478	1.1
143.08560	13.0
145.06488	13.7
145.10103	1.3
147.04402	2.2
147.08031	1.9
148.05203	5.4
149.05992	1.2
149.09605	0.8
151.03914	61.5
151.04993	4.6
151.07541	20.6
152.04253	1.3
153.05481	9.2
155.06085	0.9
159.08047	2.5
160.05185	0.8
160.08780	0.7
161.05986	1.8
161.09659	3.4
162.06763	9.3
163.07544	17.1
164.08263	0.8
165.05449	1.0
165.07869	1.2
165.09138	15.0
167.08633	1.0
171.08044	12.7
172.08771	1.2
173.06052	1.8
173.09683	1.0
174.06747	1.6
175.07541	9.9
175.11105	1.1
176.04643	1.0
177.05441	0.8
177.09123	10.0
179.08620	0.8
180.07753	0.9
181.10211	1.0
187.07500	1.4
188.08328	13.4
189.09129	5.7
191.07011	3.8
191.10645	2.4
193.08719	1.5
193.12233	0.7
195.08089	0.9
201.09129	2.3
203.10675	36.3
204.11052	1.4
205.08482	0.9
209.09654	1.6
211.07472	1.1
215.10674	1.1
219.10184	1.7
221.11729	59.5
222.12106	2.1
226.09900	0.9
229.12186	1.3
231.10124	0.8
231.13811	1.6
235.07544	1.5
238.09886	0.7
239.10759	1.3
241.12260	7.0
259.13321	9.0
265.08566	0.9
267.10141	1.6
281.11780	1.5
286.12006	1.0
287.12830	0.9
293.11520	0.9
297.11279	1.8
299.12720	5.4
301.12271	1.2
303.10083	0.8
313.10785	1.4
313.14349	2.7
315.12250	10.4
321.11075	1.2
325.14365	2.7
327.16064	6.3
333.14749	4.3
355.18710	1.7
365.17419	3.1
383.18506	10.7
489.22659	2.2
507.23526	3.9
507.31406	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	507.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.8
55.05507	2.1
59.07829	1.1
65.03934	3.3
67.05479	2.2
69.07059	1.9
76.77221	1.1
79.05482	4.3
81.07062	1.9
81.52273	1.2
83.08607	1.0
85.84012	1.1
91.05489	9.4
93.03396	3.6
93.07035	1.7
94.04180	2.7
95.04964	2.8
95.08630	1.7
98.23358	2.0
103.05462	15.4
105.07039	15.8
107.04953	6.6
107.08590	2.6
109.06530	2.2
109.10183	1.5
111.04429	3.5
115.05437	2.7
117.07022	4.8
119.04922	3.7
119.08591	1.9
121.06509	1.8
121.10160	1.4
122.03652	7.2
125.05999	5.8
128.06239	5.6
129.07019	1.5
131.04935	9.1
131.08568	2.0
133.06493	8.8
135.08049	3.3
137.05968	100.0
138.06340	2.2
141.05441	1.6
143.08540	13.0
144.05763	1.2
145.06496	10.1
147.04402	3.6
148.05191	5.0
149.05956	1.5
151.03903	48.8
151.04990	2.9
151.07539	24.0
152.04298	1.3
153.05461	11.0
157.06451	1.5
159.08015	4.1
161.09631	3.3
162.06749	5.2
163.07532	17.4
164.08133	1.2
165.09111	20.2
171.08037	12.8
172.08775	1.2
173.09602	2.6
174.06889	1.3
175.07501	10.8
175.14856	1.3
176.04633	1.4
177.09123	6.5
179.06982	1.5
188.08334	10.4
189.09085	7.8
191.07030	6.8
191.10677	2.7
193.12198	1.9
201.09055	2.6
203.10657	34.3
204.11398	5.3
205.08589	2.4
205.12228	3.9
209.09601	2.7
211.09412	1.3
219.10133	2.1
221.11722	36.9
226.09831	1.5
235.07445	2.0
241.12257	11.1
253.08739	1.4
255.10248	1.3
259.13254	7.7
265.08640	2.0
271.09390	1.2
281.11789	1.8
293.11694	1.4
297.11200	1.3
299.12857	5.3
311.09192	1.1
313.10815	1.5
313.14288	4.2
314.66150	1.2
315.12213	13.6
316.12701	1.5
325.14413	1.5
327.15936	7.1
333.14795	2.5
351.15735	1.8
355.19070	1.4
365.17371	3.9
383.18494	8.0
489.22427	2.4
507.23419	3.1
507.31464	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	507.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03174	0.4
53.03938	1.0
55.01870	1.3
55.05509	0.7
62.98249	1.7
65.03939	4.3
65.25198	0.5
67.05496	2.1
69.07063	1.5
69.25748	0.8
69.26149	2.4
77.03911	0.9
79.05492	2.7
81.07067	2.1
89.42283	0.4
91.05478	9.7
93.03391	1.3
93.07014	0.7
94.04187	1.5
95.04964	2.6
95.08601	0.9
103.05463	17.2
104.06277	0.5
105.07032	5.4
107.04953	10.0
107.08608	1.4
108.02084	2.5
109.06501	2.3
109.10178	0.8
111.04424	3.6
115.05421	2.5
117.07021	3.5
119.04936	5.5
119.08572	0.7
120.05721	0.6
120.08100	0.7
121.06514	1.6
121.10162	0.8
122.03610	3.3
123.04414	0.7
123.08033	0.4
125.05982	3.0
128.06226	4.8
129.07007	1.1
131.04926	9.4
131.08560	1.3
132.05817	0.5
133.06485	3.1
135.08031	2.7
136.05190	0.7
137.05966	38.8
138.06322	1.1
141.05446	1.2
141.07030	0.7
143.08557	8.6
143.09639	0.8
144.05638	0.6
145.06488	5.1
145.10162	1.3
146.07253	1.4
147.04399	4.0
147.08041	1.8
148.05208	3.9
149.05986	1.6
149.09587	0.6
151.03903	100.0
151.04973	7.4
151.07518	24.5
152.04239	2.1
152.07872	0.8
153.05458	5.8
154.05794	0.5
155.06009	0.5
157.06514	0.6
159.00235	0.6
159.08080	1.9
160.05179	1.2
160.08795	0.6
161.05952	1.4
161.09642	1.6
162.06746	2.2
163.07533	20.8
164.08223	1.5
165.05487	1.0
165.06906	0.5
165.09103	6.9
167.07104	0.6
171.08046	9.2
172.08743	0.6
173.06020	1.6
173.09608	1.6
174.06833	0.8
175.07539	19.3
175.11115	0.8
176.07915	0.9
177.09073	2.4
178.07771	0.6
179.07040	1.5
179.08556	1.0
181.10100	0.6
183.08046	0.9
187.07558	1.2
187.11221	0.6
188.08324	8.0
189.09100	2.4
191.07057	1.2
191.10655	2.5
195.08003	0.8
199.11014	0.6
201.09077	0.5
201.12753	0.5
202.09718	0.5
203.10654	16.2
204.11163	1.4
205.12206	3.2
207.07996	1.1
209.09637	1.3
210.06728	0.6
210.10385	0.6
211.07550	0.9
213.12697	0.5
215.10733	1.8
217.12331	0.6
219.08228	0.7
219.10223	1.8
221.11719	21.3
222.12048	0.5
223.07520	1.1
224.08316	0.4
225.09113	0.9
226.09816	1.1
227.06653	0.8
227.10716	0.9
231.10199	0.6
231.13831	1.8
233.09656	0.6
233.11813	0.8
235.07570	1.7
235.11192	0.8
235.13312	0.7
237.09004	0.8
238.09914	1.1
239.10635	1.4
240.07800	0.5
241.08743	1.0
241.12178	3.9
246.12569	0.6
248.08365	0.6
249.09058	0.9
251.07060	0.6
252.07826	0.7
253.04538	1.0
253.08636	1.1
259.13290	16.0
260.13654	0.5
263.10629	1.5
265.08725	0.9
266.09460	0.8
267.10202	1.8
267.13321	0.6
269.08121	0.8
271.05359	4.1
271.09653	0.6
277.08820	0.5
277.12070	0.7
281.11768	1.6
283.09647	1.3
286.11972	0.7
287.13022	0.6
293.11581	0.6
295.13300	1.5
297.11169	1.4
298.12128	1.0
299.12741	5.2
301.12137	0.7
307.88715	0.5
309.11038	0.5
309.14630	0.5
311.12927	0.7
313.14304	1.0
315.12256	2.8
325.10214	4.3
325.14377	1.7
327.15872	14.6
328.16437	1.1
333.14795	5.3
334.15039	0.5
350.14917	0.7
351.15622	0.9
355.18881	0.8
365.17438	4.0
383.18469	11.0
384.18735	0.6
409.02078	0.5
489.22479	0.6
507.23877	1.6
507.32101	10.0
508.31631	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90751	0.4
55.01860	1.5
55.05498	2.0
57.03436	3.8
57.06822	0.8
57.07076	10.4
59.04988	1.4
65.03939	0.5
67.05500	5.5
69.03420	2.0
69.07064	3.1
71.01343	0.8
71.04977	1.7
71.08619	0.8
71.24001	0.5
72.23760	0.4
73.45015	0.5
79.05485	3.6
81.03396	1.5
81.07056	5.6
83.04965	2.1
83.08600	1.5
85.02934	2.4
85.06544	9.1
85.10195	0.4
91.05476	5.6
93.07040	4.7
95.04951	1.9
95.08607	4.5
97.06532	4.9
97.10165	0.8
98.22596	1.7
99.04456	8.9
102.27316	0.5
103.05406	0.5
105.07025	3.9
107.04940	1.3
107.08593	3.6
108.16561	0.4
109.02869	0.7
109.06516	2.5
109.10148	3.7
111.04441	1.0
111.08079	1.6
113.06009	0.8
117.07002	1.2
119.08576	7.5
121.06503	1.3
121.10137	8.1
123.08045	2.2
123.11687	1.7
127.03893	3.9
127.07568	1.4
127.11159	2.7
129.07001	1.0
131.08559	1.3
133.06496	0.9
133.10168	1.2
135.04396	1.4
135.08040	2.2
135.11661	1.4
137.05989	0.7
137.09599	4.7
139.07516	1.3
139.11180	8.6
141.05420	1.1
145.10112	1.2
147.08037	5.8
147.11678	0.5
149.09610	4.5
149.13251	1.4
150.10355	2.0
151.03947	0.9
151.07498	1.2
151.11121	1.4
155.03386	1.1
155.10686	2.1
156.09270	0.5
157.10156	0.6
158.10852	0.6
159.11702	1.4
161.09624	0.7
165.09117	5.7
167.10684	4.9
169.04919	0.9
173.09647	0.7
173.11760	1.5
173.13243	1.4
175.07576	0.9
177.09140	1.2
179.03400	0.6
179.10646	0.7
183.10152	1.1
186.76839	0.4
187.05986	3.6
187.14812	0.6
191.14294	2.2
193.08640	2.7
195.10136	0.7
195.13840	0.7
199.09680	0.8
201.12656	0.7
203.14302	0.7
209.15359	3.0
211.09628	1.9
219.09990	0.8
219.13683	0.8
221.08066	10.2
221.15269	0.5
225.07576	2.9
235.13211	1.1
237.11163	1.1
237.14851	27.6
238.15378	1.0
239.09128	100.0
240.09435	3.9
247.13322	1.0
249.15004	0.7
253.10727	0.9
257.10205	1.7
265.14380	0.8
271.11725	30.5
272.12146	0.9
275.12741	1.6
282.08945	0.8
295.09546	2.5
307.15320	1.8
310.08478	0.8
311.09180	0.5
325.10715	8.3
363.17990	0.9
447.23801	4.7
489.22656	1.3
507.25613	4.5
507.34778	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25461	0.4
51.99943	0.3
55.05504	0.7
57.07071	1.3
67.05502	1.4
69.07070	0.7
69.09068	1.9
69.09489	1.4
79.05488	1.4
81.07031	1.9
83.08633	0.5
91.05474	1.1
93.07052	0.8
95.08606	1.0
97.06533	0.5
105.07076	0.6
107.08601	0.9
109.10165	0.9
119.08576	0.9
121.10127	0.8
123.08063	0.5
125.09576	0.4
130.49158	0.4
131.08568	0.6
133.06493	0.4
135.08029	0.4
137.06010	0.7
137.09676	0.4
145.10176	0.6
147.11714	0.7
151.07623	0.4
155.03505	0.4
163.07581	0.6
167.03467	0.4
195.00333	1.1
197.08020	0.5
277.61328	0.4
321.13165	0.4
399.18124	0.8
440.23737	0.4
447.23807	0.6
492.61505	0.5
507.32910	100.0
508.33246	10.5
534.92230	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.3
57.07086	0.4
57.44637	0.6
67.05501	6.1
69.07066	4.8
71.04993	0.6
71.33492	0.7
78.59297	0.4
79.05486	4.0
81.07052	9.3
83.04991	0.5
83.08617	1.7
85.06559	0.6
91.05463	1.8
93.07047	4.8
95.04993	0.4
95.08605	8.4
96.08907	0.5
97.06529	1.0
97.10175	1.5
105.07035	1.9
106.07330	0.4
107.08606	3.1
108.08949	0.7
109.10140	4.0
109.44261	0.4
111.08080	0.6
111.11716	0.5
117.07024	0.7
119.08578	1.9
120.08894	0.5
121.10135	4.0
123.08047	0.6
123.11717	1.8
125.09571	0.6
131.08578	1.2
133.10133	1.5
135.08083	0.6
135.11690	2.3
137.13234	0.7
139.11165	3.0
145.10136	1.8
146.10448	0.5
147.11694	1.6
149.09634	0.7
149.13300	1.2
157.12227	0.8
159.11673	1.2
161.13243	1.3
163.11235	0.5
163.14787	0.6
173.13240	0.6
173.94235	0.5
175.14795	0.8
177.16420	0.8
179.14426	0.7
187.14784	3.1
188.15186	1.1
189.16382	0.8
190.16864	0.7
191.14445	0.5
195.13681	0.6
201.16422	0.6
202.16731	0.8
203.18015	0.5
213.16394	0.6
214.16847	0.4
223.17001	0.6
226.10545	0.5
243.21051	1.2
261.22153	2.4
279.23199	3.8
337.72159	0.5
399.32672	0.8
417.33527	3.3
426.34586	1.0
428.35620	0.7
435.35010	1.0
454.34167	0.5
489.30814	0.7
507.32886	100.0
508.33292	8.6
519.99542	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3316
Annotation	Iriomoteolide 1a
Peak:m/z	Relative Intensity
53.03946	0.2
55.01872	0.5
55.05504	1.0
57.07048	0.3
57.31303	0.3
65.03923	0.4
67.05496	5.4
69.03421	0.3
69.07049	0.6
69.18782	1.8
71.04994	0.4
79.05479	1.1
81.07043	3.9
83.04970	0.8
83.08605	0.3
91.05449	1.6
93.07031	1.6
93.93159	0.2
94.00239	0.2
95.04962	0.8
95.08596	3.9
100.14484	0.3
103.05444	0.8
105.07039	1.1
105.80352	0.3
107.04947	0.7
107.08574	1.3
109.06490	0.5
109.10142	7.1
111.08036	0.4
117.07020	0.4
119.04932	0.3
119.08586	3.8
120.52568	0.2
121.03899	0.2
121.06490	0.8
121.10131	0.9
122.03648	0.3
122.07288	2.3
123.07971	0.3
123.11703	2.4
129.09106	0.5
131.04898	0.5
131.08533	0.3
132.55440	0.3
133.10143	0.4
135.04247	0.3
135.08035	0.5
135.11649	0.6
137.05966	2.1
137.09604	13.3
145.10095	0.4
147.04419	0.3
147.11610	0.4
147.50676	0.3
149.05896	0.4
149.09579	1.5
149.13222	0.4
151.03928	0.5
151.07500	0.7
153.12688	0.4
155.10629	0.4
157.08578	0.6
159.11671	0.4
161.05922	0.8
161.13225	0.4
163.07544	0.6
165.09099	100.0
166.09459	2.8
167.07056	0.3
175.07555	0.3
175.11143	0.4
177.09328	0.3
179.10638	0.4
189.12787	0.4
190.09717	0.3
191.10620	0.3
203.10637	1.1
203.14432	0.3
203.17952	0.5
205.12245	3.7
217.12312	0.3
247.07849	0.3
267.16113	0.4
291.23068	0.5
314.05701	0.3
319.22610	0.4
337.23651	0.9
345.09845	0.6
418.07266	0.3
443.31421	0.7
489.31860	0.3
507.33047	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07526	0.2
53.03937	0.4
54.45475	0.2
55.05501	0.8
55.29430	0.3
67.05157	0.3
67.05502	5.2
69.03426	0.6
69.07071	0.5
69.27480	1.9
71.61691	0.2
76.24856	0.2
77.03961	0.3
79.05479	1.2
81.06628	0.3
81.07056	3.3
83.04974	0.8
91.05000	0.2
91.05467	1.5
91.26794	0.2
93.07035	1.7
95.04961	0.5
95.08598	3.6
98.59830	0.2
103.05460	0.5
105.07032	1.0
106.91831	0.3
107.04931	0.7
107.08588	1.2
109.06516	0.6
109.10150	7.1
111.08066	0.2
117.07014	0.4
119.08584	4.0
121.06483	0.7
121.10131	1.0
122.07307	2.2
123.04361	0.3
123.08073	0.4
123.11713	2.5
129.09113	0.4
131.04927	0.4
133.10072	0.6
135.04312	0.3
135.11684	0.6
137.05981	2.7
137.09604	13.0
139.07545	0.4
139.11090	0.4
145.10059	0.3
147.08057	0.4
147.11665	0.6
149.09637	1.5
151.03850	0.4
151.07533	0.5
155.10628	0.3
157.08597	0.5
159.11707	0.5
161.05983	0.7
161.09541	0.5
163.07515	0.7
163.14761	0.4
164.08324	0.4
165.09105	100.0
166.09442	3.3
167.06981	0.6
173.13297	0.4
175.11159	0.5
177.09175	0.3
181.04889	0.3
183.10028	0.3
186.55472	0.3
187.11159	0.5
189.09163	0.5
201.11176	0.4
203.10648	1.1
203.17877	0.5
205.12236	2.9
221.18961	0.3
267.15790	0.4
278.92593	0.2
291.10019	0.3
291.23120	0.6
337.23624	0.8
345.09814	0.5
425.30515	0.4
443.31540	0.5
507.21826	0.8
507.32767	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.1
55.05511	3.7
57.03413	1.9
57.11755	1.9
61.31015	1.8
65.03949	2.7
65.16448	1.8
67.05508	6.0
69.03423	3.8
69.07067	5.4
69.16883	16.5
73.02919	4.5
79.05499	6.4
81.03419	4.7
81.07062	14.1
83.04964	2.4
83.08601	2.5
85.02906	10.5
85.06552	2.2
91.05475	8.0
91.65981	1.9
93.07036	11.4
95.04996	6.6
95.08600	11.1
96.08982	2.0
97.06599	2.5
103.05479	5.3
105.07020	11.2
107.08582	10.5
109.02885	2.3
109.06509	2.0
109.10165	8.8
111.08092	2.1
115.05475	2.8
117.07055	2.8
119.08604	8.5
121.06535	2.2
121.10160	5.8
122.03696	4.5
123.08099	2.9
125.05980	3.1
125.09618	3.1
129.07013	3.5
131.03436	2.5
131.04901	3.0
131.08591	5.1
133.10146	8.5
135.08028	2.4
135.11703	4.4
137.02437	2.7
137.05974	28.1
137.09586	4.0
143.08511	2.2
144.33418	2.1
145.06551	4.0
145.10168	4.8
147.04378	2.8
149.05992	4.8
149.13307	3.4
151.03925	17.0
151.07521	5.0
153.01877	6.6
153.05449	2.9
157.10158	4.7
159.08052	4.0
161.05952	3.2
161.09749	3.1
161.13202	2.7
163.03983	3.6
163.07571	6.8
163.14856	2.1
165.09109	7.1
167.07153	2.6
171.29884	1.9
173.09627	3.7
175.07550	4.6
175.11183	1.9
177.05435	3.9
177.09119	2.2
179.03532	2.0
179.07147	2.1
180.49022	1.8
181.05013	2.7
184.76863	1.8
185.13231	2.5
189.05499	2.8
189.09163	3.0
193.04854	2.1
219.06526	2.3
219.10229	4.7
220.68570	2.1
229.08705	2.5
242.05554	2.3
257.08078	3.3
285.07617	3.0
299.09113	4.5
301.06894	9.4
311.12665	3.6
315.04990	6.6
315.08493	2.6
316.05835	9.8
327.22427	2.2
329.06528	35.3
330.07242	7.5
331.08096	91.9
331.12012	4.5
332.08545	9.7
345.09665	100.0
346.10037	7.3
367.12878	2.7
368.13736	4.7
475.25864	2.3
507.14957	4.9
507.29437	5.8
508.20737	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	508.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60291	1.3
65.03942	2.1
67.05499	1.4
69.03423	6.5
79.05498	2.1
81.03418	1.9
85.02895	12.2
91.05466	1.9
94.92532	1.1
97.02878	5.3
105.07050	1.6
107.04958	2.6
109.02919	1.6
121.02866	3.0
122.03687	1.9
123.04436	2.5
127.03912	2.8
133.04912	1.4
135.08018	1.5
137.04916	2.8
137.05968	55.3
139.03961	1.4
145.04921	2.4
149.05968	1.2
149.09483	1.7
151.07535	1.5
153.01831	1.3
157.06598	1.4
161.05925	2.6
162.06386	1.5
163.07513	6.3
175.07547	4.1
176.07816	1.3
181.04945	26.2
187.07631	2.0
195.06505	5.2
195.10181	3.0
197.05881	1.3
207.10220	1.4
253.01372	2.6
258.08850	5.9
269.00702	10.9
271.02304	7.4
275.09082	2.9
279.10275	1.8
297.00262	17.1
298.00809	1.5
299.01859	13.1
299.12778	8.7
300.13248	1.6
309.09323	1.4
311.12677	4.5
312.99731	1.7
314.00528	15.1
329.02893	100.0
330.03314	6.7
347.07672	3.7
384.15198	1.7
451.97394	1.3
508.15369	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
55.39646	0.3
61.02928	0.9
65.03916	0.5
65.81966	0.4
69.03423	1.9
70.08947	1.6
77.46340	0.4
79.05501	1.0
81.03416	0.8
85.02901	6.2
87.04539	0.4
91.05483	1.7
92.34818	0.4
94.04187	1.5
95.04939	0.4
97.02890	1.9
98.23235	0.4
103.05455	0.6
105.07025	0.7
107.04922	0.8
107.08589	0.7
109.02888	0.5
109.06532	0.9
115.05453	0.6
117.07020	1.0
119.04942	0.8
122.03651	3.9
123.04433	5.8
129.07018	1.4
131.04907	1.1
131.08530	0.5
133.06526	0.3
135.08029	0.7
137.05977	100.0
138.06308	3.1
141.07010	0.5
145.04984	1.2
145.06532	0.8
147.04428	1.6
147.08037	0.6
149.05966	1.2
151.07518	0.9
157.06456	1.7
161.06020	1.7
163.07539	9.0
169.06519	1.3
175.07542	4.8
177.09087	0.5
179.07095	0.9
181.04916	0.5
187.07516	1.1
189.09152	1.3
197.05928	2.7
198.06787	0.7
203.90373	0.4
205.08655	0.8
209.05861	0.5
215.07022	0.8
221.05966	0.4
225.05479	2.3
226.06245	0.6
238.06172	0.8
239.10699	0.6
240.07863	0.7
241.08679	0.7
243.06560	1.3
245.08191	0.5
255.06679	0.4
257.08246	0.5
258.08878	17.1
259.09161	1.0
269.07901	0.4
270.08804	1.3
279.10034	2.1
284.10495	0.6
299.12775	16.8
300.03641	0.4
300.13217	0.8
311.12704	6.8
312.12912	0.4
329.02948	3.6
329.13913	0.9
329.51468	0.4
332.05344	0.4
347.07629	4.3
347.30023	0.4
403.30896	0.4
410.48407	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36411	0.5
51.47398	0.4
58.62721	0.5
61.02930	0.8
67.19748	0.5
69.03424	1.8
69.62517	2.8
73.02888	0.5
79.05476	0.9
81.03419	1.1
81.07059	0.8
85.02906	5.3
87.54996	0.6
89.64197	0.6
91.05489	2.3
93.07055	0.9
94.04175	2.1
97.02908	1.3
105.03387	0.5
105.07044	0.7
107.04966	0.7
107.11792	0.5
109.06511	1.0
115.50256	0.5
117.07021	1.2
119.04974	0.9
119.08546	0.6
121.06539	1.1
121.07471	0.5
122.03638	4.0
123.04418	2.2
127.03903	0.8
129.06992	3.6
131.04897	0.6
133.06575	0.5
135.08081	2.0
137.05975	100.0
138.06314	1.9
145.04953	0.8
145.06497	1.1
147.04388	3.3
147.08041	1.2
149.05975	3.8
151.03960	0.6
151.07526	2.7
157.06453	3.5
159.08028	0.6
160.05272	0.7
161.05952	2.5
163.07539	7.8
175.07539	7.5
177.09120	1.8
187.07561	0.8
189.09111	0.8
193.10144	0.8
205.08507	0.8
221.09636	1.0
233.09633	1.0
253.12236	1.1
258.08737	0.7
270.08881	1.2
279.10251	2.6
283.09479	0.6
284.10284	0.6
299.12753	19.2
300.13254	0.8
311.12762	7.9
328.08975	1.1
329.13760	1.7
353.56088	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97102	0.8
53.01128	0.8
55.99485	0.8
57.03440	1.1
62.68221	0.8
62.93266	0.9
68.70541	0.8
69.03415	1.4
69.07047	1.0
69.43069	6.5
72.70802	0.9
79.05481	1.3
81.07043	1.0
85.02903	4.3
91.05483	16.2
92.05775	1.0
93.07050	2.8
95.04976	1.1
95.08637	1.1
96.04487	1.1
97.02893	1.3
103.05469	6.9
105.07050	2.4
107.04946	3.8
107.08591	2.0
109.06485	1.1
115.05424	2.3
117.07018	2.6
119.04946	18.1
121.06498	1.8
121.10146	1.7
122.03649	1.5
123.04433	2.5
128.06284	1.3
129.07013	1.3
131.04926	6.8
131.08545	1.3
133.06474	1.8
135.08055	2.3
137.05972	27.8
141.06999	5.8
145.05002	1.0
145.06548	1.5
147.04408	100.0
148.04861	3.6
149.05971	4.3
151.03870	2.1
151.07561	7.2
153.01833	1.9
159.08052	5.3
160.27246	1.0
161.05962	4.5
161.23953	1.0
162.41777	1.2
163.07542	20.7
164.08305	12.8
165.09091	4.1
167.16534	0.9
169.06450	3.1
175.07542	2.7
176.76869	1.0
177.09129	1.5
179.07062	1.2
187.07558	13.0
189.09152	2.2
205.08549	2.1
205.10225	1.0
233.09586	1.3
234.48894	0.9
261.09247	1.8
278.09454	1.4
279.10187	2.3
285.11380	1.2
293.11670	2.9
299.12708	2.3
311.12726	10.9
313.14310	1.2
329.13821	9.4
345.09476	1.1
346.09860	1.3
352.65479	1.0
446.16357	1.0
508.20566	1.1
522.21674	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
55.01862	1.1
55.05493	0.8
57.03434	1.2
57.40075	0.4
61.02917	1.4
66.95164	0.4
67.05491	1.8
69.03429	4.2
69.07069	0.5
69.51064	2.6
71.04973	0.6
71.94397	0.4
73.02931	0.7
79.05487	1.2
81.03424	2.5
81.07052	1.0
83.04948	0.4
83.71661	0.4
85.02907	15.0
91.03933	1.0
91.05467	1.5
93.07021	0.8
94.04212	0.5
95.04971	0.8
95.08600	0.7
97.02901	4.9
99.04474	0.6
103.05461	1.3
105.07023	2.1
107.04974	0.5
107.08569	1.2
109.02863	1.3
112.99376	0.4
115.05393	0.4
115.48988	0.4
116.28072	0.4
116.43712	0.4
117.07022	2.1
117.80640	0.4
119.08567	0.6
120.72820	0.5
121.10161	0.8
122.03652	1.7
127.03938	2.5
129.06979	0.7
130.07750	0.9
131.04916	4.2
131.08560	0.6
133.06479	0.5
133.10121	0.6
135.11737	0.6
137.05981	18.4
138.06262	0.5
143.08575	0.9
144.05687	1.2
145.04988	3.6
145.06487	6.5
145.08276	0.4
145.10129	11.9
146.10402	0.6
147.04413	0.7
148.05214	0.5
151.03923	0.8
151.07523	0.7
152.04031	0.5
155.08554	0.7
158.07263	2.1
161.05942	1.1
162.06683	0.6
163.07584	3.5
164.87297	0.5
173.09621	21.9
174.09941	0.9
175.07549	0.5
176.08289	1.4
180.08690	0.9
190.09874	1.0
191.10693	1.3
205.12245	100.0
206.12598	4.0
224.40846	0.5
227.06915	0.7
241.08517	0.5
257.08002	0.6
258.08658	0.6
314.14990	0.6
329.09656	0.8
330.10019	1.0
331.10342	1.0
344.12057	1.3
345.12296	1.1
346.12546	1.5
409.30685	0.4
427.31354	0.9
458.43307	0.5
508.17908	1.5
508.29959	0.5
509.28696	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07879	2.7
53.03934	5.9
55.01869	8.5
55.05506	27.0
57.03181	3.7
57.03442	41.2
57.07073	6.9
59.04995	5.2
61.02915	12.6
67.05505	45.9
69.03069	4.2
69.03432	54.7
69.07066	21.9
69.56030	10.4
69.56441	6.9
71.01331	5.1
71.04978	10.5
73.02545	5.4
73.02919	72.8
75.29105	2.7
76.85119	2.5
79.05485	24.4
81.03406	18.0
81.07056	77.5
82.22899	2.6
83.04975	10.0
83.08615	22.0
83.46024	2.6
85.02403	5.8
85.02906	100.0
85.06543	19.0
87.04451	5.4
91.03915	5.5
91.05479	17.8
93.07034	25.5
95.04955	11.2
95.08608	72.8
97.02889	75.0
97.10153	27.5
97.43975	3.1
99.04430	4.9
99.08105	3.4
103.05434	3.4
105.07040	23.5
107.04950	6.0
107.08591	21.6
109.02866	9.5
109.06535	5.0
109.10153	87.3
111.08077	4.5
113.09657	5.3
115.03927	50.3
117.07033	6.4
119.08587	13.8
121.06507	5.6
121.10141	19.8
123.11701	68.5
124.12010	2.8
125.09655	7.2
127.03913	26.2
128.06190	3.4
129.06950	3.4
131.04893	5.4
131.08568	8.6
133.04951	9.1
133.06541	2.8
133.10135	13.1
135.08020	5.1
135.11725	16.0
137.05978	36.5
137.09627	4.7
137.13261	11.3
138.06329	3.2
143.08566	5.4
145.04990	21.5
145.06488	8.8
145.10094	23.3
147.11671	11.6
149.13257	4.7
150.07613	7.1
151.03909	15.1
151.07565	8.6
152.04266	3.6
159.11708	6.7
161.05998	3.5
161.13275	5.3
163.06088	4.9
163.07579	6.1
163.11139	10.8
163.14787	3.4
165.09151	8.4
171.11699	5.9
173.09644	18.6
173.13223	4.9
175.07642	3.7
175.11063	3.5
176.08241	4.5
177.09192	4.4
179.17957	40.5
180.08682	4.6
187.06201	2.8
187.14862	5.9
189.16368	5.4
191.10674	5.2
191.17928	9.0
193.05051	4.5
197.19022	13.4
199.14790	5.0
201.16478	4.1
203.10706	5.3
203.17960	5.3
205.12242	90.0
206.12558	5.0
207.17464	6.4
209.19041	9.9
221.11742	5.0
221.19072	3.1
223.05902	3.6
259.08157	4.1
274.65619	3.6
287.20004	3.8
305.21201	5.6
323.22009	3.4
338.56445	2.9
345.50900	2.8
359.24344	3.1
416.70627	2.9
424.27747	2.9
455.31342	3.9
508.29871	42.2
509.27411	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	508.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.4
56.05037	0.6
57.07067	0.2
58.06636	0.5
58.42790	0.1
59.07387	0.2
59.13461	0.1
60.08162	6.6
60.37958	0.1
67.05509	0.7
69.07059	0.7
70.06583	0.2
71.07004	0.3
71.07370	3.3
74.85777	0.1
78.33811	0.1
79.05500	0.4
79.27448	0.1
81.07063	1.0
83.08617	0.5
86.09703	32.3
87.10040	0.4
91.05498	0.2
92.73492	0.1
93.07044	0.5
93.83070	0.1
95.08602	0.6
97.10175	0.2
98.98463	3.5
104.10741	2.8
104.21862	0.1
105.07010	0.3
107.08585	0.6
109.10140	0.4
119.08589	0.3
121.10155	0.6
123.11737	0.1
124.99995	23.0
125.09602	0.2
127.95811	0.1
131.08496	0.2
133.10150	0.3
135.11665	0.2
143.01035	0.3
145.10139	0.2
147.11668	0.2
153.21782	0.1
156.27142	0.2
159.11775	0.1
163.01547	0.2
163.14838	0.2
184.07330	100.0
185.07634	1.3
189.16422	0.2
208.64275	0.1
227.96472	0.1
258.10831	0.1
276.20462	0.2
299.48489	0.1
325.27264	0.3
490.32858	0.8
491.31802	0.2
508.31384	2.4
509.33264	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	23.9
67.05503	25.4
69.07062	23.3
69.57485	29.7
69.57875	23.4
79.05496	24.2
81.07044	39.8
83.08617	21.6
85.06536	16.1
91.05468	18.7
93.07023	33.6
95.08578	38.8
97.10139	33.0
98.23352	22.9
105.07008	32.3
107.08576	50.7
109.10138	32.0
116.49557	16.0
119.08559	44.9
121.10162	31.1
131.08539	22.3
133.10088	31.1
135.08096	13.1
137.53558	11.4
143.10629	16.5
145.10112	40.1
147.11743	16.4
151.03889	12.9
157.10097	18.4
159.11725	16.8
161.13245	16.9
171.11586	14.2
173.13223	13.0
177.12794	16.0
183.11610	13.3
185.13231	29.7
187.14775	24.6
203.17941	11.2
215.17888	11.4
223.13184	12.4
329.24615	18.1
409.31000	30.6
431.00967	11.6
455.31241	40.1
473.32660	17.0
508.30710	20.0
509.26624	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21275	1.8
55.05510	3.6
57.07090	1.9
67.05498	9.5
69.07073	7.9
69.18616	9.7
69.19022	3.5
71.04984	4.5
79.05482	9.1
81.07058	13.7
83.08637	4.8
85.06551	2.8
91.05460	8.5
93.07040	15.8
95.05028	2.1
95.08604	37.3
96.09011	1.6
97.06543	2.9
97.10168	4.2
105.07033	13.6
107.08602	22.0
109.10164	12.9
111.08079	19.4
117.07034	4.2
119.08592	19.6
120.08919	2.1
121.06504	2.2
121.10141	22.4
123.08083	2.3
123.11693	4.5
125.09635	6.9
131.08557	7.7
133.10133	25.2
134.09648	3.0
135.08064	1.5
135.11655	9.1
137.09621	3.8
143.08582	3.7
143.10677	16.4
145.10129	24.4
147.11679	11.0
149.09581	2.6
149.13289	5.6
157.10168	7.1
159.11694	16.3
161.13271	17.0
163.14828	5.0
165.09129	2.5
171.11739	3.7
173.13239	10.9
175.14803	9.5
177.16440	2.0
179.10666	4.0
181.12292	2.1
183.11674	2.2
185.13287	6.6
187.14810	38.2
189.12885	1.7
189.16342	13.6
199.14845	6.1
201.16411	7.4
205.15826	2.0
207.13818	3.0
209.13220	1.9
213.16409	4.2
215.17979	2.2
217.15771	2.4
221.15659	2.4
227.17824	2.1
257.15207	2.0
301.21313	1.7
361.23862	2.9
367.29926	2.8
391.29697	2.2
395.29364	2.2
409.30875	11.3
413.30481	2.5
427.31985	5.6
437.30621	2.2
445.33069	4.6
455.25473	3.6
455.31473	40.5
456.32086	3.8
473.32553	100.0
474.33029	9.1
508.31656	15.8
509.32904	66.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2013
Annotation	Gibberellin 2-O-beta-D-glucoside
Peak:m/z	Relative Intensity
51.02372	1.9
53.03946	17.3
53.53179	1.4
55.01869	4.6
57.03427	4.0
57.34669	1.5
61.02915	4.0
65.03943	4.2
67.05502	9.0
69.03419	13.0
70.92693	2.5
70.93037	3.3
71.04993	2.0
73.02932	1.6
79.05492	4.3
80.36394	1.5
81.03423	7.7
81.07069	2.7
85.02908	36.3
91.05487	5.8
93.07055	2.2
94.04189	1.9
95.04964	79.0
95.08606	2.5
97.02900	11.6
99.04497	2.9
103.05468	16.9
105.04502	7.4
105.07036	3.8
107.04957	6.4
107.08610	2.6
109.02891	3.9
109.06528	2.1
115.05487	2.4
117.07003	2.3
119.04980	2.1
119.08590	2.8
121.06522	3.7
121.10143	2.7
123.04425	99.7
127.03920	8.1
131.04944	13.5
137.05957	35.6
139.03955	2.3
140.04675	28.4
143.08603	3.3
145.04955	8.8
145.06421	2.3
147.04431	6.9
147.11780	1.9
149.05957	3.7
149.09618	2.0
149.13277	1.9
151.03885	5.1
151.07549	12.2
155.07021	73.3
156.07324	3.1
159.08029	1.8
161.05940	12.3
163.07535	11.7
164.08293	2.4
165.05524	2.4
165.09135	7.2
167.07033	12.0
167.14369	2.0
175.03969	1.6
177.05450	2.7
177.09193	2.4
181.04959	3.4
181.08614	1.7
183.06523	100.0
184.06921	5.4
187.07582	2.2
189.09120	4.4
191.06955	2.5
193.08652	6.5
195.47037	1.7
205.08589	3.7
207.10208	4.7
213.09180	2.0
219.77327	1.8
221.08058	1.6
223.07523	3.4
225.09132	2.2
233.08167	5.0
240.07669	1.8
240.11534	1.8
255.10112	7.8
269.11844	2.3
271.09598	1.8
285.11444	3.3
287.12772	3.4
301.14423	3.0
311.12778	2.7
313.10919	2.0
313.14502	1.9
317.02908	2.8
322.12054	1.8
329.03519	1.8
329.13834	18.7
330.14120	2.7
331.15396	22.6
332.05115	8.8
347.07602	16.6
417.15381	1.9
509.12979	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2174
Annotation	Mortonin D
Peak:m/z	Relative Intensity
50.76586	3.6
50.95285	4.1
52.71673	3.6
60.83990	3.7
64.58957	3.9
65.03947	5.3
67.05495	6.4
69.07092	7.7
71.32735	5.1
79.05499	13.6
81.07074	9.7
91.05481	35.5
93.07058	5.7
94.64561	4.4
95.04971	8.5
95.08609	9.6
103.05470	29.0
105.07040	21.5
107.04936	10.6
109.06508	9.0
109.10176	6.5
109.48617	3.7
115.05451	18.9
117.06992	11.6
119.04947	13.5
119.08636	8.5
121.06502	8.0
122.03659	6.0
123.04433	10.7
128.06195	5.0
129.07034	17.2
131.04938	18.3
131.08595	14.3
133.06512	11.0
133.10150	3.9
135.08060	5.8
136.05159	3.8
136.37474	3.7
137.05975	94.2
137.06985	5.7
138.06322	4.5
140.68864	4.1
141.06956	24.1
144.05750	7.0
145.06496	14.9
145.10158	5.8
147.04469	9.0
147.08075	6.5
149.05971	32.6
151.03912	7.1
151.07533	64.8
156.87204	4.1
157.06566	5.3
159.08012	21.2
161.05972	100.0
163.07520	40.9
165.09189	5.9
169.06509	19.0
173.06076	4.5
175.07553	57.4
177.09244	4.0
179.06934	4.6
183.06462	4.7
187.07523	85.5
188.08145	5.0
189.09178	11.6
193.08617	16.8
205.08556	23.5
211.09598	9.3
219.08032	5.7
223.07756	5.3
223.09474	20.7
225.09044	4.6
231.08116	4.7
235.07674	6.1
250.06204	4.0
261.09186	6.3
263.06952	3.9
265.08505	6.1
277.08768	4.9
280.10886	3.9
283.09650	8.0
284.09790	4.1
291.09885	8.0
293.08365	5.5
293.11600	7.8
295.09875	5.8
297.11191	9.7
309.11316	9.2
311.12659	8.4
314.28027	5.0
317.11783	6.4
323.12808	10.3
325.14368	19.5
326.15076	16.7
331.13391	7.9
349.14197	22.1
367.15567	7.0
447.17902	10.7
461.19360	6.0
473.19766	20.9
491.20657	8.2
509.21945	18.1
509.28613	47.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.01866	0.6
56.51022	0.5
58.45234	0.5
65.03943	0.7
67.05509	1.1
74.63840	0.5
77.03896	0.7
79.05480	2.9
81.03418	1.2
81.07036	1.2
85.02888	2.3
91.05477	12.0
93.07040	1.5
93.51942	0.5
94.04184	2.3
95.03769	0.5
95.04967	1.4
95.08595	0.8
103.05462	2.4
105.07029	4.6
107.04934	3.9
107.08586	0.8
109.06521	1.8
109.10144	1.3
115.05481	3.9
116.06216	0.7
117.07018	1.7
118.04149	1.3
119.04939	6.0
121.02829	1.2
121.06509	4.6
122.03667	4.5
123.04459	0.9
123.08088	2.5
127.03918	1.1
128.06236	2.8
129.06979	6.6
131.04938	5.1
131.08568	3.1
132.05695	0.8
133.02792	0.7
133.06474	2.6
133.10143	1.0
135.04422	1.1
135.08058	2.2
136.05199	1.0
137.05975	58.4
138.06299	4.9
141.06921	0.8
143.04893	1.5
144.05670	1.5
145.04968	0.9
145.06483	2.7
146.03630	2.0
146.07272	4.4
147.04364	1.6
147.08009	1.6
148.05177	3.6
149.05925	3.8
149.09576	0.9
151.03883	2.8
151.07545	20.5
152.06171	0.7
152.07913	0.8
153.05519	0.7
153.06960	0.7
155.04918	0.5
157.06483	4.1
159.08058	1.1
160.05209	1.1
161.05974	100.0
161.09599	22.6
162.06320	3.7
162.09961	1.0
163.04010	0.8
163.07506	5.2
165.05544	0.8
165.07014	1.6
165.09102	1.8
167.07045	1.8
167.08466	0.9
169.06476	0.6
171.08107	1.2
171.46451	0.5
172.05345	0.5
173.05940	0.7
174.06737	3.9
175.07520	14.6
177.05501	1.1
177.09123	3.4
179.08521	1.2
181.04962	1.1
181.06483	1.7
182.07256	1.3
183.08102	0.6
187.07512	1.0
189.09094	49.2
190.09473	1.7
191.06990	1.6
191.08591	0.9
191.10614	0.8
193.06548	1.1
193.08566	0.7
194.07253	1.1
195.08176	1.4
195.10150	12.7
197.05959	0.6
202.07808	0.7
205.06612	2.6
205.08394	0.8
206.07249	0.8
207.10153	60.9
208.08771	0.8
208.10522	1.8
209.05930	0.6
210.06691	1.3
211.07439	1.0
213.09068	0.8
219.08102	2.2
219.10167	1.5
221.06033	1.7
222.06726	0.9
223.07526	1.3
224.08295	1.4
225.09084	1.7
227.07088	0.7
229.65880	0.5
231.08011	0.9
233.05986	1.4
234.06779	1.6
235.07518	1.9
236.08481	0.7
237.05412	0.6
237.09068	3.7
238.06223	1.1
239.06943	1.3
239.10629	1.6
240.07870	0.7
241.08568	1.3
245.09612	1.2
247.07535	1.4
248.08415	0.9
249.09140	3.4
250.06236	1.0
251.06889	0.9
251.10579	1.2
252.07761	1.0
253.08644	2.4
255.06567	1.3
255.10170	0.9
258.08963	0.7
262.06213	0.9
263.06915	1.2
263.10602	0.9
265.08536	6.6
266.09033	0.9
267.10190	2.9
268.07385	1.1
269.08063	1.0
269.11929	0.7
270.08893	1.7
273.11261	1.1
277.08591	3.8
277.11636	0.8
278.09299	0.9
279.10220	1.7
282.08911	0.7
283.09637	2.8
284.10220	1.3
285.11261	5.4
291.10101	1.3
293.08160	0.7
293.11700	1.1
295.09732	1.4
296.10538	0.7
297.11203	11.6
298.11865	1.0
299.01617	0.6
299.12753	1.8
300.02240	0.9
300.13144	1.5
305.11740	1.4
309.11270	3.0
310.11871	0.9
311.12726	8.9
312.13046	0.7
313.10867	1.0
313.14203	1.1
314.04095	0.8
315.04337	0.8
316.04828	1.4
317.14038	2.8
321.11334	0.6
323.12753	3.2
327.12195	1.6
329.13831	0.8
330.03564	1.5
331.04260	2.1
331.15329	1.7
332.04276	1.8
335.12698	0.6
337.14282	6.5
341.13922	1.1
343.15424	1.1
345.06061	3.6
346.06412	3.4
347.06973	12.2
348.07620	0.6
349.14465	1.1
355.15308	3.7
367.15277	2.4
397.38348	0.6
429.16873	0.6
445.16336	0.6
447.17136	0.9
461.19513	1.1
479.20538	3.0
509.21432	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.0
55.01867	1.6
55.05513	1.8
56.44340	0.8
57.03433	1.3
65.03939	3.6
67.05508	4.4
68.80540	0.9
69.03442	7.6
69.07070	2.9
71.04995	2.9
71.31392	0.7
71.31777	1.2
73.02930	1.1
79.05476	4.7
81.03426	8.3
81.07049	7.3
83.04966	1.7
83.08621	1.1
85.02907	8.2
85.06549	4.2
91.05473	4.5
93.07042	8.0
95.04977	14.4
95.08618	7.7
97.02884	6.7
97.06521	3.7
99.04436	2.0
99.08087	1.3
103.05479	3.4
105.04513	1.3
105.07018	6.7
107.04962	1.8
107.08598	17.0
109.02889	3.8
109.06509	5.1
109.10154	5.8
111.04431	1.5
111.08111	2.2
114.55655	0.8
115.05460	0.9
117.07011	1.8
119.04951	0.9
119.08570	5.1
121.02864	100.0
121.06497	3.8
121.10143	9.0
122.03217	1.4
123.04411	10.6
123.08076	2.9
123.11679	1.5
125.09603	0.9
127.03916	3.1
131.04932	2.5
131.08563	5.4
133.02849	0.9
133.10136	8.2
135.04457	0.9
135.08057	3.5
135.11728	2.2
137.05983	9.3
137.09625	3.1
139.03915	14.1
139.07512	0.9
139.11211	2.3
140.04665	2.4
143.08578	0.9
145.04961	2.2
145.06502	1.1
145.10059	1.8
147.04407	1.9
147.11717	3.6
149.05966	0.9
149.09651	4.5
149.13287	8.9
151.03943	2.0
151.07585	2.4
151.11163	4.2
153.09111	1.4
155.07024	8.4
158.11017	0.9
159.08087	1.0
161.05966	3.0
161.13292	1.1
163.07565	2.8
163.11082	1.3
163.14844	6.3
164.08289	1.1
165.09161	2.0
167.07062	3.8
167.10680	1.6
173.13263	10.9
175.07556	1.3
177.05550	1.2
177.09189	0.9
181.04951	1.8
181.08578	0.9
183.06532	10.1
183.07971	1.2
187.07555	0.9
189.09196	2.3
191.10698	0.9
191.14294	24.9
191.15945	1.3
193.08693	0.8
195.08203	0.8
203.06798	0.9
205.08670	2.2
209.15378	10.8
210.27977	0.8
220.72684	0.8
227.16414	12.0
233.07922	0.9
234.87248	1.1
235.07541	1.5
255.09999	0.9
265.07050	8.6
283.08170	7.9
285.11530	1.0
293.11591	1.0
311.12939	1.6
313.10712	1.1
329.13843	6.1
331.11938	1.5
331.15430	4.8
411.29785	0.8
447.74823	0.9
491.19077	1.1
509.23795	2.2
512.82861	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2718
Annotation	Asn Thr Phe Lys
Peak:m/z	Relative Intensity
55.05505	0.7
67.05488	1.5
71.04972	0.6
71.31692	0.7
74.36084	0.5
79.05501	1.1
81.07053	3.1
82.08001	0.5
91.05486	1.6
93.07034	1.2
95.08608	1.7
97.06534	0.6
98.56776	0.5
105.06981	1.0
107.08586	0.9
109.10177	1.3
111.87702	0.6
117.03357	0.7
119.08540	1.1
121.06506	0.7
121.10099	0.8
133.10120	1.1
137.06009	0.7
145.02837	3.3
147.11705	0.7
149.13286	0.7
151.03818	1.0
161.13332	0.7
175.14813	0.7
177.05460	3.5
177.16417	0.8
201.16263	0.5
203.05244	0.8
259.08252	0.5
261.41412	0.6
330.83990	0.5
366.71921	0.6
492.59860	0.6
509.27106	100.0
509.32962	30.9
510.26663	7.5
510.33109	2.6
527.33325	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.0
55.01870	74.2
55.05508	70.7
57.03438	19.0
57.07070	16.1
59.04994	5.0
61.02912	2.2
65.03944	6.7
67.05502	79.5
68.02637	2.3
68.05833	1.5
69.03422	15.8
69.07066	23.2
70.04203	4.8
71.01338	5.0
71.04994	16.0
71.08623	2.1
73.02920	7.8
77.03880	2.3
79.05490	100.0
80.06274	3.7
81.03414	42.2
81.07053	84.0
82.03758	2.4
82.04198	19.9
83.01346	17.6
83.04978	55.8
83.08620	32.0
84.02122	4.0
84.05752	3.4
85.02911	10.9
85.06567	6.4
87.04464	1.5
87.35915	1.4
91.05475	81.2
92.06266	1.9
93.07041	94.5
94.04192	2.7
94.07812	2.8
95.04967	48.4
95.08603	36.7
96.05750	2.8
97.02898	12.2
97.06530	30.6
97.10160	14.5
98.03685	1.9
98.07317	19.6
99.04437	6.7
99.08074	2.7
100.05207	1.3
103.05455	4.0
104.06299	1.5
105.04507	2.5
105.07024	48.0
106.07825	3.2
107.04249	2.1
107.04955	31.5
107.08588	46.8
108.05733	2.2
108.09408	2.2
109.02876	2.6
109.06520	26.9
109.10144	18.8
110.07288	1.9
111.04434	10.5
111.08072	14.0
113.05993	1.6
115.03917	3.0
115.05438	5.2
116.04714	3.4
117.05530	7.7
117.07023	23.9
119.08572	39.7
120.09370	2.5
121.06493	13.4
121.10146	27.5
123.04398	4.3
123.08064	35.5
123.11644	3.4
124.08797	1.9
125.05968	6.6
125.09637	20.0
126.10416	3.3
127.07561	1.6
127.11179	5.8
128.06226	3.6
129.05452	3.5
129.06987	11.9
130.07750	5.4
131.04929	3.7
131.08565	20.2
133.06467	3.9
133.10132	21.8
134.10860	3.6
135.04442	1.5
135.08060	10.5
135.11679	41.7
136.08818	3.9
137.05968	8.1
137.09595	8.5
139.07477	4.5
142.07738	1.9
143.08575	1.5
145.06450	3.0
145.10109	46.7
147.04408	1.6
147.08032	7.4
147.11696	13.8
148.08739	1.7
149.05983	2.5
149.09636	8.1
150.10275	1.6
151.03876	13.2
151.07538	7.6
151.11163	5.1
153.09122	5.0
153.12743	11.6
154.09756	1.4
155.08559	4.3
157.10080	8.4
158.05736	15.3
159.08005	1.6
161.09647	3.3
162.10393	2.4
163.07553	1.8
163.11176	71.4
164.11848	3.2
165.09091	3.7
165.12762	2.9
167.07085	2.8
167.10634	1.6
171.06526	15.7
172.07216	2.0
173.09607	11.8
174.10306	1.4
175.11191	6.3
177.09132	1.7
181.04811	1.6
181.12228	9.9
184.07309	3.7
185.08060	4.8
189.09064	1.5
189.11147	1.9
190.04753	4.5
191.10660	10.4
192.11375	3.8
193.12190	5.2
197.08122	2.4
199.09593	4.7
199.13191	2.1
201.14856	11.0
205.12195	1.6
206.12466	1.7
209.11731	21.2
210.12445	6.8
211.09749	1.5
211.13322	2.3
213.11276	3.2
214.11969	2.0
225.11230	3.8
226.11969	5.4
227.12740	18.6
228.13670	1.9
230.11484	1.4
239.12917	1.5
241.14250	2.0
242.15083	2.3
255.15880	12.8
265.14307	2.9
267.15781	2.1
269.17264	1.7
278.91528	1.4
281.13892	1.4
281.17377	2.8
282.14386	1.5
283.15390	8.6
284.16068	2.8
295.15390	7.1
309.17160	1.8
309.20569	4.5
311.18588	2.0
311.22076	5.3
321.16846	2.4
337.16464	35.5
337.20087	1.8
338.16699	1.7
351.17969	10.2
351.21722	2.0
365.19498	18.4
365.23358	2.3
379.20828	3.8
379.25140	7.0
380.25320	1.7
407.24191	5.6
408.25107	7.3
437.25089	1.5
463.26770	6.1
474.25848	2.0
492.26785	4.2
509.27371	84.7
510.27582	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	509.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83665	0.4
55.01878	0.5
55.05502	1.3
57.07070	0.5
67.05509	2.4
70.57301	0.9
71.04998	0.4
79.05500	1.6
80.35892	0.4
81.07063	2.1
83.08627	0.7
91.05495	1.2
91.97221	0.4
93.07059	1.6
95.08618	2.3
97.10184	0.9
105.07045	1.2
107.08643	1.3
109.10187	1.2
111.08099	0.4
119.08611	0.8
121.10179	1.1
123.11715	0.5
128.51456	0.4
129.12383	0.4
133.10213	0.8
135.11740	0.5
137.50349	0.4
147.11679	0.5
204.50714	0.4
282.05240	0.6
312.06638	0.5
314.20181	0.4
327.08670	4.3
337.27231	0.8
419.32529	0.4
420.18393	0.5
491.31531	2.2
509.31955	100.0
510.32257	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	509.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19191	0.5
55.05493	1.3
67.05497	2.3
67.36396	0.8
69.07060	1.0
79.05481	1.6
79.64053	0.7
81.07043	2.9
85.06546	0.9
91.05487	1.2
93.07040	1.8
95.08591	3.5
105.06992	0.9
107.08591	1.9
109.10149	1.7
119.08549	1.4
121.10149	2.0
125.09681	0.9
133.10118	1.2
135.11745	0.9
141.51283	0.6
145.10118	0.8
147.11748	0.9
157.10098	0.7
159.11694	0.9
165.05078	0.7
177.05396	0.8
185.04144	0.7
185.13162	0.8
193.04910	1.1
193.22766	0.8
360.65530	0.8
465.33270	0.9
491.30130	1.4
509.27130	100.0
509.32300	41.3
510.26212	10.1
510.33246	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	509.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.5
67.05476	0.9
69.07072	0.6
69.30746	3.1
79.05478	0.9
81.07057	1.1
81.51501	0.4
91.05477	0.9
93.07038	1.2
95.08595	0.9
107.08606	1.4
119.08609	0.6
119.60133	0.4
121.10146	0.5
240.46698	0.5
465.33463	1.1
509.32675	100.0
510.33188	9.1
527.33740	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07062	0.7
69.25771	2.7
69.26174	1.1
73.09087	0.6
78.17261	0.6
79.05495	1.1
81.07047	1.0
85.06561	0.5
91.05460	0.8
92.08195	0.6
93.07034	0.9
95.08587	1.2
98.22546	1.0
105.07012	1.2
109.06580	0.5
119.08609	0.7
145.10088	0.9
147.11725	0.6
147.82675	0.5
205.97488	0.6
298.21182	0.5
465.33356	8.0
509.32648	100.0
510.33090	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	509.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.6
65.03935	0.6
67.05505	1.2
69.07091	1.1
69.24054	2.0
69.24484	1.8
79.05487	0.8
81.07073	1.3
82.17773	0.4
83.08649	0.5
91.05521	0.8
93.07058	1.2
95.08621	1.4
105.07052	1.4
107.08624	1.1
109.10165	1.0
112.67726	0.4
119.08596	0.9
121.10147	0.9
125.09656	0.6
133.10146	0.7
135.11743	0.8
137.06007	0.5
138.19579	0.4
145.10083	0.6
147.04402	0.6
159.11702	0.6
173.13347	0.6
177.05461	1.2
185.13306	0.6
193.05115	0.6
328.82687	0.6
445.33298	0.5
465.34238	0.6
509.32599	100.0
510.33142	7.6
527.33386	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	12.7
55.01861	18.2
55.05512	24.5
57.03436	12.3
61.02932	5.5
65.03937	11.2
66.91740	3.4
67.05505	42.3
69.03438	21.5
69.07059	23.1
71.04993	7.5
71.35905	3.4
73.02926	8.4
79.05493	40.6
81.03417	35.8
81.07058	56.8
83.04978	13.0
83.08613	15.2
84.04528	3.5
85.02910	44.6
85.06539	8.4
86.09702	3.6
91.05476	66.5
93.07047	32.4
94.04222	5.3
95.04984	31.6
95.08607	54.8
97.02891	24.4
97.06530	12.4
97.10195	5.0
98.23331	9.8
99.04476	5.2
103.05471	43.2
105.03427	4.4
105.07026	57.3
107.04959	35.7
107.08583	33.3
109.02891	5.6
109.06488	20.0
109.10167	24.4
111.04440	8.9
111.08096	9.4
115.03903	7.3
115.05470	13.3
117.06982	20.8
119.04961	16.8
119.08590	23.7
121.06509	29.7
121.10141	20.8
123.04435	35.8
123.08100	10.5
123.11708	11.0
125.06043	4.2
125.09634	5.3
127.03932	12.3
127.07549	8.4
128.06232	9.5
129.07004	19.0
131.04915	31.9
131.08583	20.4
133.06480	34.9
133.10112	23.4
135.04381	8.1
135.08055	26.0
135.11700	11.9
137.02336	4.3
137.05978	92.2
139.03915	12.3
139.11111	3.9
141.07016	12.5
143.08560	10.5
145.05011	4.6
145.06448	5.9
145.10109	19.4
147.04437	17.5
147.08002	8.7
147.11682	7.7
148.05156	9.0
149.05984	67.6
149.09605	10.3
149.13318	5.6
151.03905	28.9
151.07555	59.3
151.11224	5.8
153.01851	11.4
153.05525	8.5
157.06500	11.4
157.10083	7.5
159.08057	24.2
159.11736	7.2
161.05981	100.0
161.09616	12.6
162.06544	4.3
163.03946	6.3
163.07532	70.4
163.11198	11.5
164.08316	61.0
165.05496	9.1
165.09142	25.8
167.07062	12.7
169.06465	9.4
169.15855	4.4
171.08104	7.1
173.05989	5.2
173.09619	8.6
174.06839	4.6
174.98427	3.8
175.07536	36.2
175.11192	4.0
177.05528	5.3
177.09102	8.3
179.07063	14.2
179.08511	4.9
181.04945	10.9
181.08572	13.6
181.10059	6.8
185.06075	4.4
187.07532	45.6
188.08147	5.1
189.09100	42.6
191.07042	6.4
191.10648	21.3
192.11011	4.6
193.08607	22.2
193.12230	7.8
195.08122	4.2
198.06549	4.4
199.07622	5.2
201.09157	8.1
202.09933	9.9
203.07062	5.4
203.10683	6.4
205.08601	23.2
207.08218	4.0
207.10161	63.0
209.09752	7.8
209.11755	11.1
211.13290	12.0
213.09181	4.7
215.06923	5.7
217.08739	3.7
219.10150	7.0
223.09579	6.9
225.09180	7.1
227.10812	5.2
227.12784	5.8
233.11751	14.3
243.10239	4.3
245.11792	10.6
247.13387	4.8
251.07030	4.7
255.13846	10.9
261.09198	5.4
270.16190	8.9
270.35617	5.2
271.13370	7.1
273.14667	4.9
283.09705	8.5
285.11285	9.8
297.11084	5.0
301.07120	5.4
301.17938	42.5
305.11371	4.5
311.12665	8.9
313.14310	15.7
319.85336	4.3
325.14429	9.7
326.15158	10.3
329.17566	16.3
331.15671	18.4
347.07513	8.6
349.14279	7.5
464.43640	3.5
466.27164	5.8
473.19489	12.4
509.21164	12.9
509.28839	27.2
510.27969	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	510.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82370	1.1
51.04303	1.1
55.05509	2.2
57.03427	5.9
63.66867	0.9
69.03430	12.8
70.65440	1.0
70.65773	2.2
71.04992	35.2
75.04476	2.7
83.04980	6.7
85.02905	41.8
85.03410	2.1
87.04449	1.3
90.54868	1.0
92.06913	1.1
92.37505	0.8
95.01348	2.3
95.04981	1.6
97.02937	0.9
110.03677	3.6
111.04433	4.1
112.60721	0.8
116.74632	1.0
123.04424	1.2
125.05984	23.5
127.03915	2.2
129.05479	18.8
133.10596	1.0
139.03915	4.2
147.06517	8.1
153.05463	48.0
154.06247	14.5
155.03366	1.8
167.07080	2.1
170.05727	10.6
178.06325	1.2
182.05823	1.8
185.08087	100.0
186.08508	3.0
194.05760	3.6
197.08018	7.7
203.06870	1.1
209.08069	5.0
220.07257	1.1
221.08086	1.4
227.09172	4.4
237.07544	2.2
251.09187	4.4
277.10730	11.2
293.10190	1.1
295.11734	5.7
311.11209	1.9
311.95618	1.1
313.12982	1.0
453.69965	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55164	2.0
57.03431	2.8
69.03413	6.3
71.31493	4.0
81.03397	3.4
85.02896	28.0
97.02891	7.3
105.07035	8.8
105.39880	2.0
105.94100	2.3
109.02900	3.6
123.04423	100.0
133.06473	19.0
143.42682	2.7
145.04977	3.6
151.03989	2.3
151.07529	41.3
163.06071	2.5
169.08591	60.2
211.09731	4.0
242.89799	2.4
295.11880	2.8
378.14987	2.6
482.57608	2.5
510.19287	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	510.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.0
69.03419	4.0
69.27728	9.4
69.28143	4.6
79.05477	3.8
81.03382	2.8
85.02901	8.3
91.05474	7.4
93.07037	3.3
94.21156	1.7
95.04962	2.2
97.02869	4.3
103.05466	13.0
105.07022	5.5
107.04956	4.4
107.08561	2.2
109.06561	2.5
115.05487	3.1
119.04933	4.4
121.06517	4.7
123.04427	6.4
125.28569	2.0
127.03890	2.5
128.06223	8.4
131.04906	13.4
133.06494	6.4
137.05971	40.7
143.04970	2.7
143.08589	17.7
145.04953	2.3
145.06479	6.1
147.04413	3.1
148.05141	6.4
149.05957	13.9
151.03946	4.7
151.07501	18.9
160.05147	2.4
161.05984	41.1
161.09645	5.5
163.07526	22.9
164.08310	9.6
165.09082	9.5
171.08043	12.9
174.06795	3.2
177.81085	2.2
189.09085	39.3
207.08279	2.5
207.10129	9.0
235.07550	2.9
253.14355	2.0
267.10226	3.1
269.08212	3.4
284.10361	2.8
285.11258	8.0
313.14359	67.0
314.14612	4.8
331.15390	100.0
332.15646	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	510.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40858	1.2
55.01877	3.9
60.98013	1.2
61.02919	1.5
62.73007	1.2
67.05523	2.1
69.03417	5.7
69.26772	9.7
69.27152	1.4
79.05487	2.0
81.03368	2.1
81.07021	1.3
85.02905	12.0
85.43127	1.2
91.05487	5.3
93.07038	2.9
95.04978	1.7
97.02895	3.0
98.23366	2.6
103.05465	17.3
105.06980	5.6
107.04941	2.4
109.02908	1.4
109.06516	2.6
115.05431	4.0
117.07041	2.8
117.85131	1.2
119.04944	3.6
121.06495	5.6
123.04426	4.0
127.03926	2.2
128.06223	7.8
129.07010	1.4
131.04916	10.3
133.06479	7.0
135.04430	1.5
135.08116	1.7
137.05977	33.1
138.06329	1.6
143.04912	2.4
143.08557	12.2
145.06506	4.2
147.04486	1.9
147.07976	1.9
148.05220	5.6
149.05988	12.6
151.03882	2.4
151.07538	16.8
160.05099	1.3
161.05974	38.8
161.09624	5.7
163.07533	22.6
164.08348	9.1
165.09096	11.5
171.08043	9.5
174.06834	1.3
175.07536	2.2
189.09111	42.1
190.09404	2.1
203.10608	1.9
207.10147	12.4
208.10576	1.6
220.26170	1.3
224.08331	1.8
225.09016	2.3
235.07538	2.1
239.10440	1.7
267.10242	5.8
284.10583	1.6
285.11154	11.8
299.12814	1.4
313.14346	41.0
314.14532	2.7
331.15387	100.0
332.15707	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	510.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
59.60710	2.6
65.03937	5.3
69.03432	6.5
69.07059	3.7
70.53902	2.4
70.68716	6.2
79.05503	5.2
81.03416	4.3
81.07062	4.5
85.02895	12.4
85.94590	2.6
91.05483	11.6
93.03407	10.3
93.07047	3.4
94.33200	2.5
95.08571	3.0
95.12080	2.4
97.02923	3.4
97.33479	2.4
103.05511	3.0
105.03345	3.9
105.07039	11.1
107.04959	8.5
111.04448	10.8
119.04935	6.6
123.04427	61.4
125.05972	6.3
131.04938	3.2
131.08553	4.4
133.06496	5.2
137.02299	12.5
137.05975	100.0
139.03870	19.1
143.08568	9.4
145.06561	3.4
149.05989	6.0
151.03941	6.2
151.07535	31.2
153.05472	11.9
159.08060	9.3
165.09174	14.4
171.08031	17.4
181.08601	4.1
181.10211	7.6
188.08319	3.7
189.09113	19.9
189.65407	3.5
191.10683	13.0
203.10628	27.6
207.10204	22.6
211.13371	2.9
221.11751	14.5
265.12912	2.6
279.11407	4.1
279.94928	2.8
309.12323	6.7
310.12872	3.3
312.76257	2.9
313.14276	38.1
314.14896	3.1
331.15375	28.5
337.11707	8.9
369.14420	9.1
370.15048	6.0
402.13171	3.0
475.19681	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	510.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.8
55.01873	11.6
55.05505	1.6
66.63259	1.2
67.05516	1.6
69.03436	1.3
69.12440	6.3
69.12867	5.2
79.05500	4.7
81.07078	1.3
85.02901	2.9
91.05471	10.0
93.07037	7.7
95.04951	3.4
95.08595	1.5
103.05450	17.7
104.06268	3.3
105.07024	4.1
107.04950	21.3
115.05461	1.6
117.07053	1.4
119.08580	2.8
121.06505	16.8
123.04406	3.9
131.04938	11.2
131.08630	1.6
132.05664	1.7
133.06482	8.5
133.10170	1.6
135.08041	3.4
137.05991	16.4
143.08478	2.4
145.10051	1.6
147.04384	2.1
149.05971	100.0
150.06422	2.1
151.07559	4.0
161.05968	3.8
163.07538	25.9
163.08852	1.8
164.08333	48.6
165.09062	5.2
167.07109	1.2
171.08017	3.4
175.07539	4.7
189.09113	16.1
203.10672	2.6
239.13969	1.2
264.02032	1.5
295.13400	1.8
313.14291	20.7
314.14722	1.9
510.29251	2.1
511.29715	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	510.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.4
53.96322	1.2
55.05507	2.3
57.03437	1.6
61.09398	1.1
69.03426	4.4
69.04399	2.5
69.04800	11.7
74.79295	1.2
78.10311	1.2
79.05486	4.7
81.03399	1.6
83.08614	2.2
85.02904	3.9
91.05475	4.9
93.07027	3.8
94.04119	1.4
94.64096	1.3
95.04943	1.8
97.02914	2.2
100.11241	3.9
103.05441	5.8
105.03384	7.7
105.07007	2.4
107.04948	3.0
107.08586	5.4
111.04415	1.5
115.05454	3.3
117.07026	5.5
119.08545	1.5
121.06474	2.3
121.10159	3.1
122.03663	4.6
123.04381	1.6
131.04913	10.7
131.11742	1.2
132.05040	1.3
133.10124	1.4
135.08032	5.1
137.05968	49.8
138.06339	1.9
143.08510	2.1
145.06474	1.7
151.07529	3.2
163.07533	100.0
164.07932	3.8
165.09068	1.6
167.07042	2.3
167.10721	1.9
171.08084	2.1
182.15390	1.5
189.09071	21.4
203.61908	1.4
210.14891	2.7
249.07742	1.8
313.14349	5.0
334.44849	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59549	3.8
67.05507	6.6
69.11443	34.8
79.05469	9.1
81.07084	6.5
91.05473	22.7
93.07037	7.5
95.08607	10.5
103.05492	12.2
105.07069	8.0
107.04996	7.3
107.08568	6.0
109.10133	5.9
115.05453	5.8
119.04939	13.4
119.08604	6.0
122.28355	5.0
131.04916	5.0
135.08054	5.3
137.05994	65.0
145.06490	5.7
149.05998	7.6
151.03966	5.5
151.07573	33.4
159.08046	10.4
163.07530	6.3
164.08366	7.5
165.09174	6.8
165.27373	4.1
175.85220	4.0
187.07489	26.2
203.10603	4.7
204.27489	4.2
222.10423	4.2
227.10721	7.6
236.15080	11.6
237.07573	4.6
251.10606	5.0
270.08884	6.4
279.10306	5.1
283.13171	5.9
311.12668	23.4
312.09445	11.5
337.14359	6.7
351.15826	12.3
355.83820	4.5
385.39105	4.7
475.21439	24.2
510.33270	100.0
511.34213	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12487	3.2
55.05507	5.2
67.05505	12.0
69.07053	5.9
69.31573	20.7
79.05481	9.5
79.17227	3.3
81.07050	12.3
83.08620	5.6
91.05489	18.4
93.07044	8.6
95.08598	12.5
97.10238	3.9
103.05448	7.3
105.07040	9.1
107.04987	5.5
107.08596	12.3
109.10146	8.2
110.89555	4.4
115.16668	4.0
116.18591	4.2
119.04928	5.1
119.08575	7.2
121.10120	8.6
131.08533	5.0
133.10155	6.0
137.05957	38.9
145.10144	5.0
149.02419	5.6
149.05984	6.1
151.03905	6.4
151.07530	22.5
159.08080	7.0
159.11598	3.8
163.07550	6.7
165.09067	5.0
171.08044	4.4
173.13350	3.9
179.08531	4.1
187.07520	11.4
192.91420	3.8
193.04950	5.0
210.05498	4.0
232.14023	4.6
237.07474	5.3
238.38695	4.4
251.10617	5.4
279.10178	7.7
283.13327	5.1
311.12668	20.2
351.15933	8.8
352.51923	3.8
468.90076	3.5
475.21292	16.8
509.34155	5.9
510.34177	100.0
511.33432	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	510.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.7
55.01861	2.8
57.03439	6.5
61.02924	7.7
65.03923	0.7
67.05501	6.9
69.03427	18.1
71.04990	2.2
71.34246	1.0
73.02908	3.4
81.03417	8.9
81.07054	21.2
84.92547	0.7
85.02900	100.0
86.03241	1.2
87.04459	1.9
91.03951	6.0
91.05465	1.2
93.03351	0.7
93.07045	1.0
95.08621	1.2
97.02888	25.7
98.06061	0.8
99.04453	4.7
101.02377	1.2
103.03954	1.3
107.05051	0.7
107.08561	1.0
109.02879	9.2
113.87997	0.6
115.03955	0.8
117.06949	0.6
123.11695	41.1
124.12056	1.7
125.90918	0.6
126.05481	0.9
127.03913	24.9
131.04919	0.8
137.05972	6.2
138.25581	0.7
144.06590	2.4
145.04956	47.1
146.05351	0.8
151.03845	0.9
151.07515	3.4
151.11172	4.8
153.01810	1.3
161.05954	1.1
161.09526	1.0
162.07652	1.2
163.03926	1.5
163.06021	15.7
163.07526	4.5
167.07037	1.2
169.12259	6.1
177.08983	0.8
180.08676	1.1
181.04961	2.5
182.05325	1.3
185.09770	0.9
189.09085	1.9
295.15341	1.6
313.16504	12.1
314.16916	0.9
324.13113	1.1
331.15082	3.2
333.05750	1.6
347.07474	1.2
348.07889	3.8
407.20062	0.8
450.17096	0.8
466.27319	2.3
510.22412	0.9
511.17685	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.8
55.05515	8.9
57.03444	3.2
61.02921	9.1
67.05502	9.4
68.32496	2.7
69.03442	20.7
69.03741	3.5
69.07047	25.4
70.21330	12.7
73.58956	3.8
79.05499	5.5
81.03407	9.4
81.07069	12.1
83.08614	5.3
85.02901	100.0
85.03406	6.6
88.04000	10.0
91.03990	5.4
91.05462	5.9
93.07056	6.5
95.08601	11.1
97.02893	29.3
99.04448	5.9
100.11262	21.4
105.07024	4.3
107.08542	3.8
109.02862	6.8
109.06567	4.6
109.10181	9.5
111.04492	4.2
119.08594	4.3
122.03689	4.4
123.11700	37.3
127.03900	28.1
131.04889	4.6
136.11058	3.1
137.05952	25.0
137.09610	10.4
145.04945	50.9
151.03897	6.5
151.07567	11.2
151.11169	43.8
153.01859	4.2
163.06018	16.7
163.07549	9.4
165.09105	91.2
165.10379	5.8
166.09491	14.7
167.07011	7.0
175.87392	3.1
181.04909	20.6
182.15488	6.7
189.09106	5.5
192.82028	3.3
210.14906	7.2
348.07901	6.6
505.18536	3.8
509.40344	6.7
510.13629	8.2
510.40640	7.9
514.55365	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	510.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
54.49932	1.0
55.01858	2.1
55.05511	4.2
57.03432	1.6
61.02927	1.4
67.05503	4.2
67.92709	1.0
69.03416	5.5
69.07072	1.8
69.43900	2.0
69.44302	3.5
71.04974	1.5
74.01408	0.8
75.41510	0.9
79.05483	3.6
79.64813	0.8
81.03421	5.3
81.07050	4.8
83.04965	2.3
83.08617	3.3
85.02904	15.2
85.77216	0.8
87.17680	0.8
91.05489	3.4
93.07034	3.6
95.04977	2.5
95.08601	3.9
97.02891	3.3
97.10221	0.9
99.04420	1.4
103.05442	1.0
105.07008	2.7
107.04942	2.1
107.08563	2.4
109.02879	1.6
109.10127	2.5
111.08096	1.3
119.08582	3.9
121.10143	2.0
127.03916	1.8
131.08589	1.1
133.10153	2.0
135.08060	2.3
135.11714	1.5
137.05962	2.0
138.68600	1.2
140.06152	1.4
145.05048	1.0
145.10136	1.8
149.05962	1.9
151.03911	2.7
152.06226	1.9
153.07013	3.7
155.08606	1.1
157.10229	1.2
163.07697	0.9
163.11182	1.3
165.06979	1.1
167.07082	1.0
168.05672	5.8
173.09595	1.0
181.06479	2.3
182.07210	1.1
183.08047	48.6
184.08401	2.3
185.09561	0.9
193.12164	1.5
196.05168	1.6
197.09592	2.4
198.06708	1.9
210.06743	1.7
211.07523	100.0
212.08014	4.3
213.09102	7.1
224.08382	1.3
225.09113	5.5
228.07851	3.5
233.07753	1.0
238.09909	1.0
239.10551	4.2
242.09254	0.9
243.10146	75.4
244.10519	4.1
253.15802	1.7
257.11719	2.0
281.15335	16.2
282.16095	1.1
283.15402	1.9
293.51312	0.9
298.15698	1.7
313.17947	85.8
314.18332	3.4
493.27283	1.3
510.27875	1.8
511.29602	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
54.49932	1.0
55.01858	2.1
55.05511	4.2
57.03432	1.6
61.02927	1.4
67.05503	4.2
67.92709	1.0
69.03416	5.5
69.07072	1.8
69.43900	2.0
69.44302	3.5
71.04974	1.5
74.01408	0.8
75.41510	0.9
79.05483	3.6
79.64813	0.8
81.03421	5.3
81.07050	4.8
83.04965	2.3
83.08617	3.3
85.02904	15.2
85.77216	0.8
87.17680	0.8
91.05489	3.4
93.07034	3.6
95.04977	2.5
95.08601	3.9
97.02891	3.3
97.10221	0.9
99.04420	1.4
103.05442	1.0
105.07008	2.7
107.04942	2.1
107.08563	2.4
109.02879	1.6
109.10127	2.5
111.08096	1.3
119.08582	3.9
121.10143	2.0
127.03916	1.8
131.08589	1.1
133.10153	2.0
135.08060	2.3
135.11714	1.5
137.05962	2.0
138.68600	1.2
140.06152	1.4
145.05048	1.0
145.10136	1.8
149.05962	1.9
151.03911	2.7
152.06226	1.9
153.07013	3.7
155.08606	1.1
157.10229	1.2
163.07697	0.9
163.11182	1.3
165.06979	1.1
167.07082	1.0
168.05672	5.8
173.09595	1.0
181.06479	2.3
182.07210	1.1
183.08047	48.6
184.08401	2.3
185.09561	0.9
193.12164	1.5
196.05168	1.6
197.09592	2.4
198.06708	1.9
210.06743	1.7
211.07523	100.0
212.08014	4.3
213.09102	7.1
224.08382	1.3
225.09113	5.5
228.07851	3.5
233.07753	1.0
238.09909	1.0
239.10551	4.2
242.09254	0.9
243.10146	75.4
244.10519	4.1
253.15802	1.7
257.11719	2.0
281.15335	16.2
282.16095	1.1
283.15402	1.9
293.51312	0.9
298.15698	1.7
313.17947	85.8
314.18332	3.4
493.27283	1.3
510.27875	1.8
511.29602	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.364
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05836	5.1
54.59514	5.5
55.05501	21.5
57.07075	89.0
65.54256	5.3
67.05515	50.8
69.03419	6.9
69.07059	27.6
71.04961	7.0
71.08633	75.8
71.31850	8.8
79.05486	20.1
81.07052	54.7
83.08622	31.5
84.64295	5.7
85.02898	28.3
85.10168	46.6
86.07507	5.0
92.16839	5.5
93.07050	25.4
95.08607	80.2
96.08938	7.3
97.02901	20.6
97.10176	17.2
99.04456	8.0
99.08061	9.3
104.10739	12.2
107.04952	6.0
107.08594	7.2
109.10155	32.4
109.59939	5.7
117.91070	5.9
119.08581	8.2
121.10159	8.6
123.11684	20.0
127.03921	20.8
133.10155	8.7
135.11696	8.5
145.04936	16.1
179.14388	8.1
180.14610	6.4
184.07268	8.6
197.48341	6.0
239.23698	87.3
262.16669	6.2
272.48849	5.7
278.21957	7.1
313.27408	100.0
314.27661	6.2
331.28436	14.8
341.27307	5.5
383.28003	43.7
401.29013	59.5
510.32449	14.1
511.21252	10.1
511.34146	7.4
523.38666	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	510.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	4.4
57.07078	14.0
58.06602	2.5
60.08173	16.6
67.05504	7.6
69.07066	4.6
71.07372	6.7
71.08635	10.7
79.05492	2.5
81.07067	12.2
83.08631	4.4
85.10183	4.8
86.09713	50.4
91.05489	3.5
93.07042	4.0
95.08607	12.8
97.10171	2.7
98.98472	4.3
104.10748	100.0
105.07020	2.0
107.08600	3.4
108.59680	1.7
109.10149	7.6
121.06576	2.0
121.62344	1.7
123.11723	3.7
125.00008	26.3
125.09629	2.3
139.63191	1.6
155.48799	1.7
184.07350	91.8
225.59686	1.8
239.23724	11.0
257.24783	1.9
313.27347	34.0
331.28458	2.8
406.41507	1.7
487.22034	2.9
492.34399	7.9
510.34750	22.3
511.30591	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1447
Annotation	Mallophenol A
Peak:m/z	Relative Intensity
52.05699	0.7
53.03937	1.2
55.01870	1.1
55.05502	0.7
56.64902	0.5
57.03426	1.2
67.05499	1.5
69.03424	4.1
69.07029	0.7
69.19421	4.9
71.05003	0.8
72.00454	0.6
79.01855	4.8
79.05493	1.7
81.03416	7.8
81.07040	2.0
83.04970	0.7
85.02900	5.8
91.05481	1.9
93.07018	2.0
95.02499	0.6
95.04952	1.3
95.08593	0.9
97.02890	6.4
99.04460	0.8
103.05494	1.7
105.07029	1.9
107.01309	1.6
107.04918	1.0
109.02885	5.3
109.06508	1.2
109.10162	1.3
111.08086	1.0
112.13646	0.6
113.06000	0.9
115.05426	0.9
117.06983	0.5
119.04928	0.7
119.08573	2.2
119.44769	0.5
121.02875	0.9
121.06500	1.1
121.10158	0.8
123.04449	1.5
125.02355	4.1
127.03909	7.0
131.04895	1.4
133.06447	0.9
135.04420	1.2
135.08107	0.7
136.07550	0.7
137.05963	4.4
137.09555	0.8
138.06361	0.7
139.03944	1.3
143.03397	6.0
145.04967	1.8
147.04405	2.5
147.08057	2.1
149.06007	1.2
151.03896	1.7
151.07521	2.5
151.11205	0.6
153.01823	100.0
153.02890	5.3
154.02162	1.8
157.06477	1.4
161.05971	4.9
161.09540	0.6
162.06325	1.7
163.03918	1.7
163.07570	1.6
164.07016	1.2
165.09077	2.2
167.07112	1.4
171.02905	8.5
175.07573	7.0
176.07880	0.9
177.05472	1.6
179.07036	2.5
181.04991	0.6
181.08507	0.7
183.08064	0.6
185.07285	2.6
187.07590	0.7
188.04727	0.6
189.09106	1.6
191.06972	1.4
191.10637	0.6
193.04939	0.7
197.07971	3.2
197.15216	0.5
199.07492	0.6
203.07057	4.2
207.06485	1.2
209.07976	1.0
213.06607	1.6
213.09137	0.9
215.07034	0.9
217.04921	1.2
217.08551	1.3
221.08066	8.9
231.10126	0.6
235.05853	1.2
239.09113	7.6
241.08592	1.0
243.10181	0.9
245.08105	1.5
255.05034	1.0
257.08286	0.8
259.09793	0.7
263.09207	3.3
269.07974	1.8
285.11227	1.5
286.11450	3.2
287.09143	5.5
297.06039	7.5
305.10129	4.0
315.07071	3.2
315.12277	1.0
323.11227	1.0
331.11685	2.5
331.15274	1.1
332.12061	6.6
341.12250	1.1
511.14990	1.3
511.21524	2.1
511.24408	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	511.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87042	0.8
65.03928	0.9
67.05517	0.8
71.32806	0.9
79.05463	0.8
81.03425	1.3
81.07066	1.2
85.02917	1.6
87.53117	0.7
89.03910	0.7
91.05460	1.3
93.07043	0.9
95.08603	0.7
97.02933	1.1
103.05484	0.8
105.07028	1.1
115.05494	0.9
121.02844	1.0
121.10247	0.7
122.03675	1.0
127.03741	1.1
131.04906	1.0
137.02339	0.7
137.05975	10.4
138.06310	1.5
138.09146	2.0
149.05894	0.8
151.03917	2.4
151.07555	1.5
153.01785	1.7
153.05476	1.0
156.05865	0.7
161.05988	2.6
163.03903	3.3
163.07539	2.2
165.05548	0.7
165.09160	1.5
166.08618	4.9
167.07030	4.1
181.05019	2.0
189.09087	1.1
194.07558	0.7
195.06506	4.2
196.06950	0.7
200.35909	0.7
201.05206	4.0
216.07571	14.5
217.08353	2.5
239.77219	0.7
278.13104	0.7
317.08411	7.2
330.79089	0.8
331.11456	0.7
349.08044	0.8
373.97412	0.7
418.38861	0.9
480.15805	1.7
481.16653	0.9
511.17798	100.0
512.18225	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	511.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
63.56765	0.3
65.70985	0.3
67.05483	0.4
69.03404	0.4
69.09426	3.1
71.05001	0.5
73.13663	0.3
79.05503	0.4
81.03419	0.7
81.07063	0.7
85.02891	0.9
85.06516	0.3
90.98435	0.3
91.05465	0.7
93.07024	1.2
97.02888	0.7
103.78431	0.3
105.03741	2.4
105.07038	0.5
107.04938	0.5
107.08597	0.6
109.02874	0.5
109.04990	0.3
109.06509	0.6
109.10159	0.3
113.02131	0.3
115.76581	0.3
117.07012	0.3
118.86604	0.3
119.08609	0.3
121.02861	1.4
121.06503	0.3
121.10126	0.8
123.04774	2.3
127.03903	0.9
131.33479	0.3
135.04404	1.2
137.05959	1.4
149.09554	0.4
151.03891	0.8
151.07552	0.6
153.01869	0.9
157.06540	0.4
161.05962	0.4
163.11168	0.5
167.07083	1.0
169.04707	0.6
169.08577	0.8
177.05589	0.4
178.05121	0.4
184.06039	0.5
185.04266	0.7
189.09233	0.6
193.10799	0.3
197.11705	1.0
203.06868	1.1
206.04546	0.5
206.08977	0.4
208.10524	0.4
209.11592	0.6
227.12688	1.1
265.60947	0.3
268.44806	0.4
285.11078	0.5
289.09042	0.8
315.12369	0.4
331.10104	3.2
349.12836	0.9
353.15771	0.6
365.12094	4.2
410.68054	0.3
414.86633	0.3
486.46912	0.4
511.17792	100.0
512.18250	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	511.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.4
69.03465	0.4
69.14761	2.3
69.15179	1.0
79.05454	0.4
85.02953	0.4
91.05518	0.5
95.04964	0.5
103.05427	0.5
105.07071	0.5
107.05017	0.5
109.58272	0.4
123.04462	0.4
124.05215	0.4
131.05002	0.5
137.05984	2.9
138.06361	0.4
143.37061	0.4
147.04453	0.5
151.03920	3.8
151.07480	0.4
153.01837	2.9
153.05444	0.4
153.09151	1.3
157.06444	0.5
161.06026	0.9
167.07024	1.9
179.10657	0.8
189.09109	0.9
190.09470	0.7
197.11697	5.5
197.13243	0.5
207.10147	0.5
223.09863	0.4
249.11089	1.1
307.11932	0.4
331.10275	0.5
342.23315	0.4
349.08191	0.4
359.17502	0.6
365.12091	0.6
407.59268	0.5
411.16531	1.0
453.17139	4.2
511.21683	100.0
512.22028	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	511.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46976	0.6
53.03934	1.0
55.05503	0.5
55.74332	0.6
59.19155	0.5
63.63869	0.6
65.03933	1.0
66.04710	1.6
67.05505	1.2
69.07793	3.1
69.08219	3.6
77.03911	0.8
79.05479	2.4
81.03428	0.6
81.07059	1.1
89.11050	0.7
91.05478	9.8
93.07024	1.0
93.44585	0.6
94.04179	6.0
95.04974	1.3
95.08620	0.9
100.11254	0.7
103.05470	4.7
105.03409	1.1
105.07006	3.0
107.04922	1.6
107.28211	0.6
109.06495	1.9
115.05455	0.8
117.07016	1.4
119.04942	2.7
119.08572	0.8
121.02834	1.0
121.06490	2.2
122.03642	10.4
123.04436	1.4
128.06241	1.6
129.06972	2.0
131.04915	6.1
131.08594	0.9
133.06483	2.9
135.04428	0.8
135.08078	1.1
136.05147	0.9
137.05972	100.0
138.06328	2.0
139.07538	0.7
143.08549	1.8
145.06500	1.8
146.03630	0.8
147.04391	1.2
149.05925	3.3
151.03926	1.4
151.07535	21.3
152.06181	0.8
153.01865	0.8
153.06914	0.8
155.08455	0.8
157.06471	1.5
158.07233	0.7
159.08054	1.0
161.05959	4.3
163.07544	11.7
165.05818	0.7
165.07014	4.1
165.09117	5.4
166.09468	2.4
167.07030	2.8
167.08569	3.5
168.06020	0.6
169.06490	1.3
171.08028	1.7
174.06744	2.0
175.07539	2.7
177.09088	1.6
178.07751	0.8
181.06520	1.8
181.10155	0.7
182.07265	1.5
183.08017	0.7
184.08858	0.7
187.07541	1.8
188.08261	0.7
189.09077	4.1
193.06526	2.0
195.08049	5.3
197.06007	0.8
199.07436	0.9
201.09160	0.8
203.10632	3.7
205.06615	0.9
207.07983	0.8
210.06708	2.2
211.07544	1.0
213.09108	0.9
219.08170	1.2
221.05916	3.9
222.38724	0.8
223.07570	2.0
224.08253	2.0
225.09023	3.8
227.06921	1.2
227.10616	4.0
237.09047	0.8
238.06218	1.6
239.07091	1.0
251.10623	1.0
252.07858	1.3
253.08527	4.3
255.06482	0.8
255.07355	0.7
255.10121	6.7
267.10175	3.7
283.09625	0.7
285.11191	9.7
286.11392	0.7
287.12817	8.9
305.11572	1.4
307.13287	1.1
313.14359	2.0
319.13297	1.0
325.14322	0.8
337.14474	0.7
345.47745	0.7
351.15921	3.4
369.17026	0.8
415.18918	1.2
443.18567	0.9
475.21017	1.2
481.14594	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07077	0.2
66.07919	0.2
67.05496	0.5
69.07054	0.4
69.73512	0.4
69.73921	0.8
75.55614	0.2
79.05454	0.2
79.71165	0.2
81.07049	1.0
89.16189	0.2
91.05450	0.3
93.07022	0.2
95.08614	0.6
98.51486	0.2
105.07034	0.4
107.08580	0.4
119.08611	0.4
121.10145	0.3
125.09612	0.2
131.08603	0.3
131.55455	0.2
133.10106	0.3
145.10014	0.2
149.13225	0.3
159.11714	0.3
185.04199	0.6
187.14677	0.2
189.16353	0.3
203.05255	0.9
217.08414	0.2
259.07892	0.6
384.74734	0.3
451.32028	0.5
493.32495	0.8
511.28589	100.0
512.28973	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	511.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	1.0
57.87284	0.3
67.05511	1.4
69.07039	0.7
70.12888	0.5
70.13283	0.6
79.05479	1.0
81.07053	1.5
82.38684	0.3
83.08603	1.0
91.05482	0.6
93.07024	1.2
95.08602	1.5
97.06516	0.4
97.10137	0.9
105.07021	0.7
107.08553	0.7
109.10114	0.8
114.48388	0.2
116.32133	0.3
119.08540	1.0
120.06159	0.2
121.10104	0.8
125.09569	0.8
131.08560	0.3
133.10086	0.7
135.11662	0.8
135.43446	0.3
137.09608	0.3
143.08504	0.3
145.10188	0.5
145.62418	0.3
147.11667	0.4
149.13208	0.4
153.09033	0.3
161.13048	0.3
183.11711	0.3
185.04268	0.6
189.11212	0.3
217.12001	0.3
234.29739	0.3
239.58182	0.3
249.18527	0.3
261.14496	0.4
266.40717	0.3
268.26877	0.3
285.20493	0.6
451.27991	0.4
511.28537	100.0
512.28870	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	511.29
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02400	1.2
53.03947	9.3
53.74948	0.9
55.01871	47.1
55.05511	50.9
56.05851	1.1
57.03436	22.8
57.07074	15.0
59.04994	1.8
61.02924	2.0
65.03939	4.9
66.04710	1.8
67.05504	70.3
69.03426	18.9
69.07068	21.2
69.50455	4.9
70.04209	2.6
71.01342	1.9
71.04989	12.2
73.02917	9.0
73.06566	1.2
73.51907	1.0
77.03938	2.1
79.05492	76.7
80.05848	1.3
80.06271	2.9
81.03417	100.0
81.07055	64.1
82.03757	1.6
82.04199	13.9
82.07404	1.1
83.04475	1.6
83.04979	41.1
83.08619	41.7
84.02130	2.4
84.05766	2.4
85.02903	43.4
85.03417	2.2
85.06535	5.4
87.04490	1.1
91.05480	76.4
92.06291	1.2
93.07042	48.0
94.04189	1.5
94.07871	2.6
95.04966	62.9
95.08601	26.0
96.05779	1.5
96.09405	1.1
97.02884	9.6
97.06528	22.2
97.07114	1.5
97.10172	13.4
98.03711	1.1
98.07311	15.5
99.04457	1.4
99.08092	3.6
100.05202	1.1
101.06025	1.6
103.05473	2.1
105.03391	1.2
105.04534	2.6
105.07029	46.3
107.04961	16.0
107.08596	25.0
109.06516	10.4
109.10152	14.0
110.07273	2.3
111.04441	7.4
111.08073	25.0
113.06012	6.0
115.03970	2.0
115.05475	3.4
116.04668	5.0
116.06247	1.8
117.05492	3.7
117.07029	9.4
119.04929	2.3
119.08578	39.6
120.09450	1.2
121.06505	8.2
121.10142	23.9
123.08064	14.0
123.11720	5.5
125.06018	1.9
125.09618	18.0
125.10495	1.6
127.07535	2.4
127.11171	7.6
128.06181	2.2
129.05550	5.0
129.06999	20.0
129.07979	1.2
131.08575	22.2
133.06491	6.9
133.10121	25.1
135.08043	6.0
135.11702	6.9
136.08865	2.4
137.06030	2.0
137.09616	7.1
137.13309	2.7
139.07570	3.9
139.11209	1.2
142.07782	5.5
145.06445	1.4
145.10147	7.3
147.08044	8.2
147.11681	29.1
147.12860	1.4
149.06007	2.9
149.09608	12.5
149.13316	1.0
150.06281	1.0
151.03864	1.1
151.07524	2.0
151.11209	2.3
153.09103	2.0
153.12714	1.5
155.08572	2.1
157.08800	1.8
157.10115	26.2
158.05745	14.6
158.10547	1.5
159.06529	1.2
159.11684	1.1
163.11174	7.3
164.11935	3.5
165.08990	1.3
165.12767	8.1
167.07080	1.7
167.10759	1.5
171.06520	19.3
171.10207	1.4
175.11191	24.1
176.11684	1.4
181.08603	1.3
181.12216	1.3
183.08070	2.0
183.13713	1.3
184.08305	1.4
185.08087	8.8
189.11226	3.0
190.04695	2.3
191.10677	2.3
192.11502	1.7
193.12231	91.2
194.12595	2.5
199.09659	7.4
199.13342	5.1
201.14909	5.5
205.71056	1.1
209.11784	3.7
210.12540	2.6
211.07602	4.5
211.13286	92.6
212.07957	4.2
212.13698	4.5
213.11250	4.5
226.12050	3.1
227.12787	13.4
229.14400	1.7
241.14354	3.3
242.15106	7.1
243.10179	1.8
244.10497	1.9
247.13538	1.2
249.14958	1.8
255.12299	1.3
255.13289	1.8
255.15883	16.0
266.15063	1.3
267.15906	8.0
269.17523	3.6
283.15594	2.7
283.19122	3.8
284.16196	1.8
285.16971	9.0
297.20691	2.4
298.17731	4.7
301.16595	2.1
311.18518	6.8
311.22275	7.6
313.18134	1.2
314.18372	2.8
325.20111	3.0
325.23706	1.4
326.24289	4.7
339.18057	19.4
339.21780	7.3
353.19467	2.7
353.23184	2.4
367.21155	8.1
367.25085	2.8
381.22775	3.0
382.27081	5.4
382.31451	1.4
395.24292	3.2
409.25946	5.9
410.26721	1.8
437.25302	1.6
439.97202	1.2
465.28482	2.8
475.26694	1.2
476.27869	2.4
493.28076	3.7
494.28638	7.4
511.29083	64.8
512.29529	4.1
512.37567	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	511.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.9
55.05508	1.7
58.06589	2.6
60.08163	0.8
67.05502	1.8
69.07066	1.1
70.05750	2.5
79.05498	1.4
81.07052	1.8
83.08607	0.7
91.05475	1.2
93.07040	1.3
95.04934	0.7
95.08597	2.1
98.23198	1.0
105.07024	1.8
107.08575	0.8
109.10136	1.3
111.08086	1.0
119.08559	1.4
119.23512	0.6
121.10100	0.8
123.11665	0.9
123.85531	0.6
133.10150	0.6
147.11679	1.0
149.06053	0.9
151.07487	0.6
159.11655	0.7
161.05968	1.1
171.11794	0.7
177.05466	1.6
179.07034	0.6
231.75771	0.7
236.14868	3.4
237.15295	1.8
237.99742	0.7
297.00809	0.7
467.34918	17.5
468.35495	1.4
469.56601	0.7
485.74704	0.7
511.34229	100.0
512.34924	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	511.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
70.50740	0.8
77.67086	0.3
78.34309	0.3
81.77885	0.3
105.75471	0.3
137.74101	0.3
144.06190	0.3
145.38947	0.3
178.01604	0.3
179.62212	0.2
195.09984	0.3
198.89699	0.4
308.37695	0.3
467.34955	6.1
468.35297	0.5
511.33929	100.0
512.34302	9.3
529.34851	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.5
53.03939	1.1
55.01868	0.4
56.75729	0.3
61.02916	0.6
65.51986	0.3
69.03421	2.9
69.88423	1.2
70.44541	0.4
71.04989	0.7
75.61659	0.3
79.01863	4.0
81.03413	8.2
82.03713	0.4
85.02895	2.5
86.49816	0.3
95.04974	0.4
97.02890	6.9
97.14470	0.3
99.04460	1.3
105.07040	0.8
107.01299	1.6
109.02867	4.4
109.95350	0.3
117.51765	0.3
125.02330	3.2
127.03904	7.2
137.05966	0.7
140.04703	0.4
142.00522	0.4
143.03383	4.8
145.04968	1.7
153.01820	100.0
153.02866	3.9
154.02109	1.9
154.04778	0.4
167.53867	0.3
171.02885	13.1
184.88080	0.5
199.07648	0.4
237.03732	0.5
279.69424	0.4
297.06030	11.6
298.06396	0.4
315.07086	8.3
352.24841	0.4
512.18274	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.2
55.01865	2.8
61.33406	1.1
69.03416	1.4
69.42280	8.7
71.04977	1.3
78.04702	2.2
79.05494	6.5
81.03426	1.3
81.07054	1.6
85.02904	5.9
87.18516	1.1
91.05486	15.6
93.03417	2.8
93.07038	11.0
95.04967	3.1
95.08625	1.8
98.23312	1.5
103.05473	14.4
105.07043	9.0
106.04189	8.3
107.04951	24.6
107.08609	6.4
109.06513	1.4
115.05448	3.8
119.04921	4.9
121.02866	3.2
121.06506	15.9
123.04445	3.4
125.05973	2.7
125.09623	1.3
129.07010	4.9
131.04924	13.5
131.08583	3.7
132.05716	5.0
133.02866	1.4
133.06483	3.9
134.03651	1.7
135.04427	2.5
135.08057	4.9
135.11687	4.6
137.06026	9.0
139.03888	1.5
144.05721	1.9
145.06458	1.5
146.07275	3.7
148.05196	7.6
149.05997	16.2
151.07524	5.4
153.01819	2.4
153.05421	2.8
153.09145	3.0
153.12636	2.0
157.06561	2.1
159.04355	1.9
159.08017	1.6
160.05244	3.0
161.05978	100.0
161.09615	23.0
162.01402	1.3
162.06302	2.9
162.09990	1.9
163.07533	26.2
165.05496	1.7
165.09157	1.7
167.07043	41.7
167.08504	2.1
168.07474	1.4
174.06781	4.6
175.07516	8.8
176.04626	1.4
177.05434	12.0
179.07060	4.5
179.08551	1.6
180.07784	5.1
181.08589	25.7
182.09308	1.4
189.09102	59.8
190.09460	2.6
191.07008	18.4
192.07878	8.7
193.08604	3.4
195.08075	1.5
207.10168	98.6
208.10522	3.8
209.08080	26.9
209.10011	1.8
210.08522	1.3
219.10144	5.0
223.04224	6.7
226.34877	1.5
239.10809	1.8
244.87224	1.3
245.07962	1.5
253.08580	1.7
257.11752	2.3
259.09732	1.7
266.09152	1.4
267.10519	1.2
279.10138	1.5
283.09741	1.9
285.11209	6.9
285.14078	1.2
297.11243	2.0
305.14233	1.3
313.10922	1.4
315.12314	3.5
317.13803	4.7
327.12177	2.3
329.13632	1.7
341.13925	5.0
343.15479	8.7
344.15192	1.5
361.16507	19.7
362.16971	1.4
371.12604	1.9
373.16522	4.8
417.10321	1.5
460.65216	1.3
476.18878	2.7
494.19516	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.2
55.01865	2.8
61.33406	1.1
69.03416	1.4
69.42280	8.7
71.04977	1.3
78.04702	2.2
79.05494	6.5
81.03426	1.3
81.07054	1.6
85.02904	5.9
87.18516	1.1
91.05486	15.6
93.03417	2.8
93.07038	11.0
95.04967	3.1
95.08625	1.8
98.23312	1.5
103.05473	14.4
105.07043	9.0
106.04189	8.3
107.04951	24.6
107.08609	6.4
109.06513	1.4
115.05448	3.8
119.04921	4.9
121.02866	3.2
121.06506	15.9
123.04445	3.4
125.05973	2.7
125.09623	1.3
129.07010	4.9
131.04924	13.5
131.08583	3.7
132.05716	5.0
133.02866	1.4
133.06483	3.9
134.03651	1.7
135.04427	2.5
135.08057	4.9
135.11687	4.6
137.06026	9.0
139.03888	1.5
144.05721	1.9
145.06458	1.5
146.07275	3.7
148.05196	7.6
149.05997	16.2
151.07524	5.4
153.01819	2.4
153.05421	2.8
153.09145	3.0
153.12636	2.0
157.06561	2.1
159.04355	1.9
159.08017	1.6
160.05244	3.0
161.05978	100.0
161.09615	23.0
162.01402	1.3
162.06302	2.9
162.09990	1.9
163.07533	26.2
165.05496	1.7
165.09157	1.7
167.07043	41.7
167.08504	2.1
168.07474	1.4
174.06781	4.6
175.07516	8.8
176.04626	1.4
177.05434	12.0
179.07060	4.5
179.08551	1.6
180.07784	5.1
181.08589	25.7
182.09308	1.4
189.09102	59.8
190.09460	2.6
191.07008	18.4
192.07878	8.7
193.08604	3.4
195.08075	1.5
207.10168	98.6
208.10522	3.8
209.08080	26.9
209.10011	1.8
210.08522	1.3
219.10144	5.0
223.04224	6.7
226.34877	1.5
239.10809	1.8
244.87224	1.3
245.07962	1.5
253.08580	1.7
257.11752	2.3
259.09732	1.7
266.09152	1.4
267.10519	1.2
279.10138	1.5
283.09741	1.9
285.11209	6.9
285.14078	1.2
297.11243	2.0
305.14233	1.3
313.10922	1.4
315.12314	3.5
317.13803	4.7
327.12177	2.3
329.13632	1.7
341.13925	5.0
343.15479	8.7
344.15192	1.5
361.16507	19.7
362.16971	1.4
371.12604	1.9
373.16522	4.8
417.10321	1.5
460.65216	1.3
476.18878	2.7
494.19516	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.9
57.03434	2.7
60.05558	0.9
63.87772	0.9
65.03925	1.3
66.81170	1.0
67.05503	2.3
69.03426	5.3
69.07072	1.6
69.24710	7.5
73.78576	1.0
75.09661	1.0
79.05487	8.0
81.03409	2.4
81.07047	3.8
83.04964	1.2
85.02903	10.3
91.05474	7.9
93.07047	4.2
95.04975	3.3
95.08600	3.1
97.02873	5.5
99.04459	1.2
103.05487	1.5
105.07021	12.3
107.04952	9.9
107.08598	4.1
108.02100	1.3
109.02883	1.3
109.06516	1.5
109.10160	2.0
115.05470	2.2
117.06297	1.0
117.07031	10.9
119.08571	2.2
121.06537	1.6
121.10101	1.5
123.04447	1.6
123.08043	1.4
127.03917	3.3
131.04944	2.5
131.08543	2.1
133.06483	8.9
135.08049	35.7
136.08408	1.5
137.05977	25.9
141.05515	1.6
145.06444	1.8
145.10103	6.3
147.08031	1.8
149.09637	1.2
151.03903	99.9
151.04961	6.6
151.07495	7.2
152.04185	2.0
153.01814	1.8
153.05449	1.4
153.12709	1.2
157.06593	1.1
161.09628	1.2
163.07579	4.9
163.11119	1.6
165.09113	36.5
166.09439	1.5
166.35091	1.0
167.07040	1.2
173.09613	3.1
175.07547	1.4
177.09157	1.4
181.08629	1.7
183.08035	1.7
187.07552	1.8
188.67818	1.0
191.10625	8.8
195.08104	1.7
201.09091	1.6
203.10680	1.6
209.09842	1.5
209.11641	5.3
213.09099	1.4
217.12230	2.9
227.10611	1.8
240.11143	1.2
243.13765	2.2
253.12187	1.1
254.57799	1.0
256.10931	4.2
257.11609	5.0
269.15244	1.6
279.13748	1.0
288.74271	1.1
297.14819	5.1
315.15915	18.4
316.16299	1.5
333.16937	100.0
334.17297	5.3
512.21552	3.8
513.23004	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	512.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43627	5.4
55.01862	15.0
55.05505	14.4
57.03430	9.8
65.02196	6.0
67.05493	20.8
69.03426	20.9
69.07052	12.6
69.09741	48.7
69.10153	11.6
71.04963	7.5
79.05489	22.3
81.03421	11.5
81.07044	33.9
85.02901	40.8
91.05463	28.4
93.07036	43.7
95.04934	7.7
95.08612	27.4
97.02924	7.1
97.06522	13.4
103.05436	11.9
105.07024	40.8
107.08583	25.0
109.10159	8.6
109.99801	8.0
113.30840	6.5
117.07008	14.9
119.04868	7.8
119.08571	22.4
121.06500	15.2
121.10089	8.1
123.04435	22.8
127.03947	9.2
129.07022	7.7
133.06461	17.4
135.08067	17.2
135.11723	7.2
137.05966	72.9
139.03795	8.7
143.04861	8.3
143.08467	8.2
145.04973	8.9
145.06526	9.7
145.10161	13.3
147.08057	8.4
149.09596	9.0
151.03896	100.0
151.07545	29.5
153.01834	21.9
153.05476	8.3
153.12750	27.0
159.11749	8.2
161.05994	10.1
163.07608	17.0
163.13649	5.9
165.09084	29.9
167.07019	6.1
167.08516	13.0
173.09630	6.9
174.06845	7.8
175.07529	21.5
177.05501	8.5
181.82370	7.5
185.09572	6.5
187.07562	24.0
189.05319	9.9
189.09079	20.4
191.07129	11.0
191.10727	8.0
193.08559	10.3
195.08116	15.0
195.92224	7.0
201.09145	27.0
203.06972	11.1
203.08717	6.5
209.09767	7.2
212.08206	8.5
213.09074	9.2
227.10672	33.8
241.08711	9.5
241.12206	18.3
243.13766	12.7
247.11179	8.8
255.10143	28.7
255.13997	8.1
269.15347	64.0
271.13220	9.3
273.11166	19.5
279.13684	11.4
291.12283	17.4
297.14777	72.2
315.12219	14.5
315.15735	73.7
333.16708	52.0
473.23145	8.2
513.16516	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	512.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.1
53.36514	0.5
55.01859	1.2
55.05499	1.9
57.03428	1.7
59.04987	0.9
61.02933	4.2
66.41076	0.5
67.05509	1.1
69.03435	5.8
69.07056	1.8
69.19352	3.5
71.04993	14.0
73.02915	1.6
73.06566	2.8
73.60004	0.5
79.05494	4.6
81.03415	3.1
81.06569	0.8
81.07055	18.3
85.02904	44.2
87.04472	1.1
91.03952	1.7
91.05462	1.5
93.07040	12.2
95.04976	0.7
95.08614	2.3
97.02897	10.9
97.06524	1.4
99.04461	1.6
103.03893	0.6
104.14528	0.5
105.07027	0.9
107.08595	8.6
109.02871	4.2
109.10143	2.1
115.03951	0.6
127.03913	13.4
135.11688	19.4
136.12035	0.6
137.05946	0.5
139.03810	0.5
145.04958	20.3
153.12740	100.0
154.13074	3.4
163.06012	12.1
181.04910	1.4
211.09705	0.6
289.08994	0.6
325.11511	2.3
333.69531	0.5
487.45200	0.6
523.58093	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.27
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
55.01890	1.7
55.05512	2.9
56.59795	0.7
57.03433	3.3
59.05001	1.8
60.17535	0.7
61.02939	4.2
67.05502	1.7
68.16254	0.7
68.89214	0.8
69.03429	10.5
69.07077	2.9
69.25319	6.9
71.04992	14.6
73.02894	1.8
73.06554	3.1
79.05501	5.3
81.03417	3.4
81.07058	19.5
83.04985	1.2
83.08612	1.0
85.02902	49.8
87.04470	1.9
87.60271	0.8
91.03943	1.3
91.05490	2.1
93.07049	12.7
95.04964	1.2
95.08620	3.2
97.02883	13.1
97.06542	2.3
98.23400	0.9
99.04463	3.5
105.07024	1.6
107.08580	11.8
109.02870	5.1
109.10163	3.8
115.03919	1.3
119.08615	1.0
121.02831	1.1
121.10176	1.4
127.03150	1.4
127.03934	14.3
133.05003	1.1
135.11679	18.8
136.12000	0.9
137.06012	3.0
137.09631	1.2
145.04955	23.6
145.18445	0.9
153.12735	100.0
154.13182	1.9
162.80626	0.9
163.06021	10.7
163.07358	1.7
163.11237	2.6
165.09126	3.5
167.07059	1.9
167.10646	1.0
169.08623	4.3
171.13808	1.4
181.12384	1.2
183.10147	2.9
185.09846	2.2
191.10634	1.1
219.07959	1.1
223.02084	0.7
227.12668	4.4
283.15451	1.0
289.09146	1.1
297.11176	1.1
301.16440	2.8
315.12195	2.0
325.11206	1.1
340.27191	0.9
407.98965	0.9
461.95071	0.9
468.28888	1.5
469.69028	0.9
512.18854	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.5
53.50969	1.0
55.01862	1.9
55.05511	6.5
57.03436	1.7
61.02922	2.5
65.03927	1.7
67.05501	5.1
69.03417	8.2
69.07069	4.4
69.33820	7.6
73.02905	1.4
77.03885	1.2
79.05492	15.2
81.03419	3.5
81.07058	7.5
83.01377	1.2
83.04989	2.6
85.02903	35.4
85.06546	1.4
88.17001	1.1
89.24342	1.1
91.05479	22.1
93.07043	89.1
95.04964	4.6
95.08611	15.7
97.02901	9.5
97.06538	4.1
99.04488	2.6
103.05450	2.6
105.07037	7.4
107.04958	2.9
107.08594	100.0
108.08929	2.0
109.02900	1.9
109.06504	2.8
109.10145	4.3
119.06068	2.2
119.08528	1.7
121.06470	2.8
123.04450	1.6
123.92509	1.2
127.03940	9.1
129.06989	1.6
131.04916	1.3
133.06520	1.8
135.11696	89.1
136.12029	3.5
137.13316	2.0
138.45059	1.2
145.04953	13.6
149.06023	2.7
153.01857	3.0
153.12737	14.9
161.05960	8.7
161.09645	3.1
163.06027	7.0
163.07396	2.3
167.07076	6.4
181.08600	2.4
189.09103	4.3
191.07021	3.4
207.10132	10.2
208.09740	2.0
209.08006	3.0
241.08601	1.5
275.09140	1.9
285.11191	1.8
315.12595	1.3
325.10941	1.9
524.83093	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.9
55.05501	1.1
57.03424	0.9
61.02922	1.0
63.50949	0.5
67.05491	1.8
69.03416	2.0
69.07083	1.0
69.22586	4.7
69.49297	0.8
77.20448	0.5
79.05484	1.7
80.97749	0.5
81.03414	1.1
81.07061	4.7
83.04975	1.1
83.08605	0.6
85.02899	8.7
86.87395	0.6
91.03927	0.8
91.05470	1.5
93.07048	2.0
95.04974	3.1
95.08602	4.3
97.02874	3.0
97.06532	1.5
97.10220	0.6
99.04439	1.2
99.08061	0.7
105.07001	3.2
107.08575	2.2
109.06522	1.7
109.10162	1.2
117.06976	1.1
119.08579	5.5
120.08909	0.8
121.06508	1.8
121.10112	1.3
123.11707	0.8
127.03930	0.8
129.06985	1.5
131.08565	3.2
133.10124	3.2
135.08084	0.8
135.11670	0.8
142.07806	0.8
143.08539	3.6
145.04953	0.8
145.10110	3.6
147.08031	1.2
147.11703	1.5
149.09706	0.8
155.08514	2.2
157.10146	6.0
159.08041	2.2
159.11703	3.2
161.09653	1.3
161.13228	3.4
169.10100	3.1
171.08078	1.5
171.11676	4.1
173.09639	1.4
173.13248	4.9
175.11220	1.1
175.14790	2.0
180.08711	1.8
181.10133	1.7
183.11710	2.3
185.09625	5.5
185.13249	4.2
187.11182	5.7
187.14835	1.2
195.11658	4.5
197.13251	1.6
199.11142	2.3
199.14815	2.3
201.12688	1.0
209.13255	3.5
211.14790	2.9
212.11920	0.8
213.12747	4.9
213.16330	5.8
216.30988	0.8
222.14015	1.5
222.44537	0.7
223.14786	1.5
225.16312	1.7
227.14372	1.3
227.17958	2.3
229.15906	0.7
236.15598	1.2
239.17918	3.6
241.15858	13.4
241.19553	2.7
243.17435	0.6
251.17937	10.6
257.18942	5.2
259.20538	1.0
269.18985	72.9
270.19290	3.8
275.01965	0.6
287.20035	100.0
288.20297	5.8
315.19516	2.6
333.20517	5.4
339.51230	0.7
456.36063	0.7
508.62979	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	5.8
66.04433	2.6
66.88354	2.8
67.05509	10.1
69.07055	4.2
69.57777	8.7
69.58179	6.8
72.08163	6.0
79.05483	39.9
81.07053	12.4
91.05481	9.5
93.07030	65.1
94.70313	2.6
95.08593	17.5
95.15607	2.5
105.07028	17.4
107.08587	20.2
107.96725	5.6
109.10134	15.4
119.08584	10.0
121.06545	3.3
121.10140	56.3
121.10958	4.2
131.08546	5.5
133.06476	3.8
133.10136	8.4
135.11694	18.5
143.08490	2.7
145.10091	5.2
147.11700	8.9
149.13239	7.1
159.11739	7.7
161.05939	6.7
171.11720	5.6
173.13272	6.5
175.11124	3.1
185.13240	6.5
187.14845	5.2
189.12843	2.6
197.13254	3.2
201.12802	3.1
209.10928	2.5
209.13210	2.7
227.17935	5.7
241.19504	10.8
243.21088	9.7
269.19028	19.1
287.20108	8.3
297.18472	8.2
315.19522	96.4
316.19821	8.1
333.20563	100.0
334.20807	6.3
364.04510	3.2
393.13306	3.3
512.30786	26.6
513.34619	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	512.358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	0.5
55.05486	1.1
55.57681	0.4
57.03432	6.9
58.06598	33.4
59.04983	0.4
59.07379	9.4
60.08162	10.0
60.59224	0.4
67.05499	2.9
71.08626	2.9
73.02894	1.2
75.04476	3.8
79.05449	1.5
79.83768	0.4
81.07032	1.8
83.08558	0.4
83.77724	0.6
84.08129	0.7
85.02901	2.2
87.04456	5.1
91.05468	1.2
93.07036	2.3
95.04939	0.7
95.08581	1.3
98.22561	0.7
99.08058	1.1
102.05527	0.5
103.03903	1.1
105.05476	0.9
105.06992	0.7
107.08564	0.9
113.05972	0.8
120.13911	0.4
121.10075	0.5
125.16779	0.4
131.07088	2.3
133.10074	0.4
135.11641	0.5
144.10201	7.8
151.11131	1.1
153.93642	0.4
162.11261	4.5
163.11308	0.4
169.63277	0.4
179.14322	0.7
205.30424	0.4
210.30495	0.5
218.13809	0.8
236.14911	100.0
237.15263	3.1
450.35831	0.4
494.34747	18.2
495.35229	1.2
512.35803	96.7
513.36224	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	512.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88586	0.4
53.03918	0.4
55.01826	1.2
55.05511	2.4
57.03438	8.1
57.07043	0.8
58.06600	30.7
58.06863	1.7
58.86832	0.4
59.04967	0.5
59.07383	10.0
59.07649	0.6
60.08164	10.1
60.08442	0.5
65.03915	0.6
67.05506	5.9
69.07069	2.5
69.19938	2.6
70.06548	0.5
73.02893	1.0
75.04479	4.8
79.05486	5.0
81.03378	1.6
81.07053	6.1
83.04926	1.7
83.08555	1.5
83.77676	0.5
84.08102	0.4
85.02914	3.3
87.04467	6.1
91.05489	3.3
93.05512	0.6
93.06541	0.4
93.07044	4.7
95.04911	1.8
95.08610	3.1
97.06483	1.3
97.10107	0.7
98.22578	0.8
103.03904	1.0
105.05447	1.4
105.07018	2.5
107.08591	2.1
107.57476	0.4
109.10122	1.2
113.05994	0.6
117.07037	0.5
119.08554	1.9
121.10111	1.6
123.07944	0.5
123.11707	0.6
127.43121	0.5
129.07021	0.5
131.07074	2.6
131.08513	0.9
133.10075	1.5
135.11656	0.9
137.09589	0.5
139.11159	0.6
144.10196	8.3
145.10138	0.8
147.11644	0.9
149.13228	0.7
150.81334	0.4
162.11241	4.2
163.11140	0.4
172.21902	0.4
173.13145	0.5
185.13133	0.5
193.12292	0.4
210.92352	0.5
218.13878	1.1
236.14920	100.0
237.15305	2.7
239.09160	0.4
267.15836	1.5
269.17554	0.6
277.47018	0.4
279.23245	0.7
283.15442	1.4
318.19559	0.5
318.22693	2.6
412.26932	25.3
413.27344	1.3
440.85803	0.4
450.35626	0.6
477.28384	1.2
494.34814	17.2
495.35474	1.5
499.69101	0.6
512.35870	49.5
513.36267	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	513.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
71.22121	1.5
72.31277	0.7
82.81975	1.0
82.99796	4.1
85.01402	1.4
85.02891	1.1
93.72752	0.8
94.99850	1.1
97.02882	1.2
98.97593	0.9
101.00877	19.9
102.00968	0.9
103.02422	5.1
109.02839	1.4
113.00850	5.6
115.02419	1.7
117.03988	4.0
119.01097	1.6
119.01919	21.7
120.02068	1.1
121.03451	1.1
127.02428	5.9
129.00351	2.1
129.03963	1.4
131.01918	9.8
133.03485	2.2
135.05013	2.1
137.02881	1.0
139.02397	3.0
141.03955	0.9
143.01898	30.1
144.02003	1.9
145.03464	27.7
147.01393	8.5
147.05037	1.7
153.04024	1.0
155.01895	25.7
156.02107	1.6
157.03461	13.1
158.03618	0.8
159.01469	0.9
159.05017	2.8
159.10910	0.7
161.02959	32.1
162.03061	1.9
163.04536	4.2
167.01906	13.5
168.02043	1.2
169.03481	5.2
171.01367	14.1
171.04997	3.9
173.02953	26.7
174.03075	2.1
175.04529	2.5
177.06004	1.5
179.01880	5.1
181.03517	1.8
183.01404	2.7
184.04480	1.0
185.02963	45.6
185.04475	1.8
186.03111	3.4
187.04520	9.9
189.02441	29.3
189.04178	1.1
190.02606	1.4
191.02039	0.8
191.04001	1.2
195.01358	1.6
195.07057	1.0
196.04527	1.1
197.01161	0.9
197.02974	18.1
198.03139	1.2
199.04491	2.6
201.02458	4.2
203.04027	14.1
204.04274	1.3
207.01550	1.3
207.03450	8.3
209.02969	2.4
213.02370	5.4
215.04022	9.4
216.04149	1.4
217.01895	1.3
219.07167	2.6
221.05026	6.5
225.02382	1.2
227.03984	10.2
228.04199	1.0
230.05049	1.6
231.03493	98.9
232.03665	5.2
233.08745	1.3
239.03992	1.6
239.06081	2.3
243.03497	13.5
245.05057	100.0
246.05273	8.6
247.04753	1.4
249.04565	10.7
255.03491	3.6
257.05048	9.1
261.04556	12.9
262.04660	1.1
263.06128	15.3
264.06281	1.1
272.06174	1.0
273.04529	3.6
275.06107	23.1
276.06305	1.3
285.04541	1.5
291.05557	13.2
293.07175	3.9
301.04111	1.8
305.07150	10.3
306.07385	1.3
315.05576	2.9
321.10275	13.3
333.06570	19.0
334.06992	1.5
335.08340	4.1
351.07614	7.4
365.09286	6.3
383.10400	1.5
393.08853	1.8
461.29150	0.8
495.12003	2.7
513.12878	16.5
514.13324	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.16
Annotation	CHEBI:67505
Peak:m/z	Relative Intensity
53.03931	1.1
55.01857	0.7
65.03937	4.7
67.05505	1.9
67.71553	0.3
69.03413	1.7
69.07035	0.4
69.57288	1.9
70.37518	0.4
71.04996	0.4
71.15630	0.4
71.99999	0.3
75.05425	0.4
76.07683	0.4
81.03414	4.7
82.04183	1.7
85.02901	4.1
93.03402	1.0
95.04976	1.6
97.02870	1.4
97.06526	1.9
99.04442	0.5
107.04974	0.5
108.02087	0.8
109.02877	1.3
110.03643	2.8
111.04424	1.4
123.04417	1.5
125.02338	0.5
125.05991	2.3
127.00300	0.4
127.03930	0.5
135.04391	0.4
138.03088	1.2
139.03856	0.7
140.04674	5.5
142.02621	2.1
151.03918	0.7
153.01794	1.2
153.05469	2.6
154.02202	0.4
155.07039	2.4
167.06975	0.4
169.05025	0.5
171.06538	2.8
171.42415	0.4
181.04942	100.0
182.05179	2.3
185.08116	0.9
199.05977	5.1
211.09784	0.5
212.09999	0.6
233.08005	0.5
261.07602	1.6
280.16544	0.4
283.08081	0.9
325.09134	4.8
343.10098	2.4
349.70624	0.4
377.79056	0.4
394.91003	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
60.05627	0.8
65.03940	5.0
67.01840	0.5
67.05489	2.1
69.03422	2.2
69.07051	0.6
71.32971	0.7
81.03412	4.3
82.04182	1.6
85.02904	4.4
93.03410	1.0
95.04949	2.2
97.02871	1.4
97.06499	1.8
99.04442	0.7
99.87584	0.4
101.48013	0.5
105.04500	0.7
108.02094	1.2
109.02873	1.9
110.03658	1.7
111.04427	2.5
122.05996	0.5
123.04421	1.3
125.02385	0.6
125.05959	1.2
127.03875	0.8
137.02345	0.5
137.05962	1.4
138.03142	1.6
139.03917	2.7
140.04701	5.7
140.07024	1.5
142.02582	2.4
146.06009	1.4
153.01842	0.6
153.05431	1.4
155.07063	2.4
163.07520	0.5
164.08342	0.7
171.06541	4.6
174.05501	1.3
181.04944	100.0
182.05321	2.3
199.05984	4.3
212.99706	0.5
263.57559	0.5
283.08115	0.9
299.09964	0.6
313.11682	1.3
325.09155	5.1
341.11243	2.0
343.10144	2.4
373.13910	0.8
376.53293	0.5
397.14130	0.5
475.31192	0.6
482.18729	1.5
484.91583	0.6
504.34247	0.5
513.28534	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55069	0.4
50.87139	0.5
51.07731	0.4
53.03938	0.8
55.01875	0.6
55.05511	0.8
57.03431	0.8
65.03938	3.4
67.05474	0.9
69.03411	2.1
71.34212	0.6
79.01359	0.5
79.01836	0.8
79.05492	0.5
79.61223	0.5
81.03407	6.0
81.07045	0.6
83.04974	0.8
85.02912	2.3
91.05446	0.5
93.03398	0.9
95.04960	0.8
95.08623	0.6
95.89587	0.5
96.02111	0.9
97.02872	2.5
99.04453	0.9
107.01290	1.1
107.04926	0.6
107.08614	0.8
109.02869	4.3
110.03703	0.7
111.04455	1.6
123.04414	1.6
125.02333	1.3
125.05978	3.2
126.03147	3.5
127.03900	1.4
137.05994	1.0
139.03873	2.4
140.04672	0.7
141.05453	4.4
147.04456	0.9
151.03877	1.2
152.28958	0.5
153.01852	3.4
153.02847	0.5
153.05476	4.7
154.06213	1.3
157.04970	8.3
161.05994	0.6
163.03900	0.8
163.11194	0.6
165.05380	0.4
167.03391	100.0
167.07047	9.9
168.03755	2.2
168.07484	0.5
169.04955	0.5
171.06526	1.4
181.04959	12.2
181.12212	1.0
185.04453	7.8
185.08072	8.2
199.05949	0.6
209.08060	0.7
217.25993	0.5
227.09244	0.6
239.11652	0.5
241.58528	0.5
267.11609	0.6
269.06631	0.6
275.09067	2.4
311.07632	5.8
313.11694	1.6
325.09180	0.7
329.08661	1.3
351.12308	1.8
373.13876	4.0
513.16998	3.1
537.71759	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80717	0.9
55.01859	2.2
58.06562	0.9
61.60032	0.9
67.05486	1.5
69.07056	1.2
70.96286	2.0
79.05495	8.2
81.07053	2.8
91.05484	9.4
93.07032	2.8
95.04977	2.7
95.08591	2.6
103.05465	11.0
103.88419	1.0
105.07027	74.0
106.07407	2.3
107.08582	2.1
109.10197	1.4
115.05441	15.6
118.04118	6.7
119.04926	7.3
119.08574	1.8
121.06443	2.0
121.10107	1.1
123.08089	1.0
124.11217	1.2
131.04904	6.3
133.06485	64.8
133.10162	1.4
143.05023	1.6
143.06071	4.8
144.15038	1.0
147.04402	12.1
148.05173	2.0
149.06004	4.2
160.33513	1.0
161.05972	100.0
162.06421	2.7
163.07556	4.8
179.06993	7.8
184.04980	4.5
185.05727	3.3
185.13316	1.4
191.07001	20.4
191.08620	1.4
193.08594	48.8
194.08978	2.3
201.05220	2.2
215.06773	27.3
217.12355	1.2
236.14937	2.1
261.07373	3.8
274.08115	1.7
350.60724	1.0
392.80316	0.9
453.15295	10.4
454.15524	1.2
502.89777	1.1
512.34729	1.8
513.17773	9.7
513.28046	7.0
513.34875	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	513.2081
Annotation	Talmapimod
Peak:m/z	Relative Intensity
63.63492	0.5
64.83395	0.4
69.03417	1.3
70.06572	0.5
71.31261	0.6
81.03411	0.9
85.02901	1.3
90.34035	0.4
97.02911	1.1
118.93329	0.4
127.03901	0.5
137.05969	0.6
167.07152	0.5
175.08693	0.7
187.08719	1.2
189.10217	1.1
198.11496	0.5
199.08716	3.6
200.09438	6.6
201.10225	11.9
202.11012	1.6
203.11703	0.8
213.10220	5.7
214.11012	10.6
215.11790	32.2
216.12512	4.3
219.11333	1.9
226.11057	1.8
227.11852	1.8
228.08957	1.1
228.12541	4.5
229.13278	0.8
230.14240	1.2
231.11346	0.8
241.09804	2.4
241.13330	2.4
242.10500	18.1
242.14185	0.9
243.11234	5.8
254.10481	2.0
255.11307	2.1
256.12079	7.3
259.10663	2.9
260.11584	15.7
261.12338	6.7
269.12790	3.7
270.13708	1.2
271.14474	0.7
272.11621	0.8
274.13144	5.0
277.11847	1.1
282.10086	1.1
287.13937	3.9
288.14670	2.4
289.15497	1.3
297.12280	3.2
300.11047	6.0
302.10052	0.7
315.13373	19.1
316.13852	1.5
333.14432	39.7
334.14877	2.9
351.15485	12.8
352.16098	0.6
381.16769	0.8
436.58508	0.5
450.00024	0.5
495.19754	1.2
513.20813	100.0
514.14301	0.7
514.21136	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	513.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83438	0.5
53.59801	0.4
55.05489	1.6
57.07050	1.5
67.05466	1.6
69.07028	1.4
70.06567	0.5
70.13847	0.4
71.08610	0.5
71.85470	0.4
77.77358	0.4
79.05453	1.4
81.07022	2.0
83.08581	1.7
88.07601	0.8
91.05447	1.2
93.07021	1.0
95.08626	2.2
95.34509	0.4
97.10132	1.0
98.22577	1.5
102.09116	0.5
105.06989	1.7
107.08581	2.3
109.10104	1.2
111.08071	0.5
111.44240	0.5
119.08538	2.0
121.10091	1.4
122.97387	0.4
125.09631	0.5
126.79153	0.5
131.08549	0.6
133.10092	1.1
135.11659	1.0
143.08546	0.6
145.10094	1.2
147.11613	1.0
157.09970	0.5
159.11569	1.0
161.13234	0.9
173.13203	0.6
175.09662	0.6
175.14751	0.9
177.16435	0.5
183.11526	0.5
185.04111	0.5
185.13173	0.5
187.14799	0.7
189.16248	1.4
195.09776	0.7
203.05113	1.6
227.17828	0.7
256.26178	1.3
283.26077	1.2
296.47488	0.5
435.32233	0.6
453.29474	2.7
481.32385	0.6
495.34518	0.6
512.50452	2.1
513.29803	100.0
514.30310	7.5
514.36078	0.7
535.78314	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.7
55.05506	24.0
57.07074	6.5
63.36377	1.5
67.05498	17.7
69.03427	2.9
69.07066	18.0
69.49467	9.8
71.04987	2.8
71.08607	3.9
79.05491	11.3
81.07064	18.9
83.04964	3.2
83.08615	18.2
85.06556	2.1
88.07648	2.0
91.05477	5.7
93.07049	11.3
95.08597	15.9
97.06521	5.0
97.10165	24.5
98.22645	3.2
105.07034	6.8
107.08591	17.5
109.10173	9.9
111.08098	3.6
117.06989	1.8
119.08588	5.9
121.06495	2.5
121.10149	8.7
123.11748	4.0
125.09624	18.9
131.08548	3.8
133.10133	5.7
135.08086	2.4
135.11681	5.1
137.09576	2.5
139.11131	2.4
145.10091	3.8
147.11673	3.5
149.13269	4.6
153.12730	1.8
157.10225	1.8
159.08052	2.1
159.11691	2.7
163.14799	3.9
171.13737	2.0
173.13268	3.0
175.09651	1.8
175.14847	3.5
177.16325	1.9
187.14944	2.6
189.11205	14.1
189.16483	1.9
201.16512	2.0
205.19589	5.7
223.20578	3.9
227.12756	11.7
251.20146	2.7
256.26352	4.5
283.26294	5.0
287.22156	11.9
325.23669	10.4
330.26495	1.6
385.42401	1.5
453.29962	2.9
467.31396	4.7
481.33304	2.4
495.33890	8.3
512.50177	7.4
513.30188	100.0
513.35645	86.4
513.50745	6.2
514.30609	7.1
514.36438	6.3
523.90857	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47297	2.0
55.01851	2.0
55.05501	4.9
56.96568	2.8
62.37200	1.7
66.23331	1.6
67.05501	7.3
67.34653	1.6
69.07064	5.2
69.15209	9.9
69.15639	6.2
71.38554	2.4
79.05486	6.2
81.07064	11.1
83.08589	2.0
91.05498	6.1
93.07061	9.3
95.08588	10.6
97.06512	2.7
100.70394	2.1
105.07042	7.0
107.08603	6.8
108.22484	1.8
109.10158	4.0
112.63335	1.7
117.74042	1.9
119.08568	10.9
121.06557	1.7
121.10145	5.6
123.08061	2.0
123.11737	1.9
125.09626	2.6
131.08583	5.2
133.10120	3.9
135.08051	2.0
135.11696	5.4
137.09619	2.5
145.10141	5.6
147.11737	3.8
157.10109	2.7
159.08040	2.6
159.11682	6.3
161.13284	2.4
171.11745	2.5
173.13271	1.9
175.14767	2.3
187.14784	2.6
189.16454	4.5
195.05875	1.9
197.13341	1.9
200.20117	3.3
201.12704	1.9
201.16467	1.9
213.12851	1.8
236.15016	2.4
279.23026	1.7
335.18988	6.9
339.08624	4.3
339.13852	1.8
351.18521	3.3
353.19913	27.8
354.19598	2.7
356.54706	1.9
371.20990	21.4
413.66425	1.9
435.32858	2.1
495.29456	5.4
513.30499	70.3
513.35455	100.0
514.30115	9.7
514.36444	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	513.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	9.3
56.52613	2.7
57.07081	24.5
67.05487	13.1
69.07059	14.6
69.59116	10.4
69.59517	6.6
70.06586	19.2
71.08620	10.4
76.05081	2.5
79.05488	6.7
81.07059	25.5
83.08619	9.4
85.06558	3.3
85.10158	5.6
88.07649	18.6
89.06026	11.4
89.07944	3.9
91.05484	9.6
93.07038	15.7
93.38416	2.6
95.08607	33.8
97.10172	3.5
98.23347	3.1
98.51172	3.0
102.09158	20.8
105.07037	17.1
107.08588	23.6
107.24239	3.0
109.10150	15.8
111.08109	3.9
117.07028	3.2
119.08568	32.4
121.10125	11.4
121.22782	2.7
123.08094	3.3
123.11680	3.5
131.08540	8.5
133.08586	3.3
133.10091	16.3
135.11664	5.5
143.08557	7.0
145.10115	18.0
147.11702	11.4
149.13278	6.8
157.10115	5.9
159.11731	12.9
161.09605	3.4
161.13260	5.5
163.14799	11.3
163.16092	3.0
171.11653	6.8
173.13275	5.9
175.14824	12.1
177.16362	8.3
183.11684	4.6
185.13277	4.1
187.14827	26.3
189.16353	27.2
191.17972	3.6
199.14822	3.2
201.16327	14.4
203.17937	7.5
213.16293	6.4
215.17961	6.3
217.15825	3.8
227.17972	5.0
228.23218	6.4
249.80432	2.9
256.26343	40.0
257.26727	23.6
283.26273	38.4
284.26624	24.8
389.31567	5.8
407.32886	8.5
423.32538	11.3
435.32675	10.3
467.35062	3.6
512.50421	39.3
513.22968	2.7
513.36230	36.9
513.50684	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3573
Annotation	11-OXOURSOLIC ACID ACETATE
Peak:m/z	Relative Intensity
53.03934	0.4
54.19762	0.2
55.05502	3.0
56.80963	0.2
57.07081	1.5
63.79204	0.2
65.03937	0.6
67.05506	3.2
67.16654	0.2
69.03429	0.3
69.07066	5.0
69.74374	1.1
70.06601	0.3
71.04993	0.3
71.08630	0.5
73.06532	0.2
77.03922	0.2
79.05484	3.6
81.07051	8.7
83.04977	5.0
83.08613	2.2
85.06541	0.3
85.10127	0.2
88.07627	0.6
89.06030	1.7
90.06401	0.3
91.05466	4.3
93.06436	0.4
93.07036	8.0
95.04967	1.0
95.08601	15.0
97.06541	1.2
97.10174	0.8
98.23371	0.3
102.09192	0.5
103.05517	0.2
105.07025	13.8
106.07387	0.3
107.04964	0.2
107.08585	12.9
108.08956	0.2
109.06493	1.1
109.10149	5.9
109.10872	0.4
111.08083	1.1
115.05470	0.3
117.07011	1.3
119.08573	19.6
119.49319	0.2
120.08919	0.5
121.06489	0.8
121.10140	9.3
122.10513	0.3
123.08096	1.2
123.11698	3.6
125.05951	0.2
125.09628	0.4
128.06174	0.5
129.06995	1.0
131.08554	4.3
133.06519	0.5
133.08653	1.1
133.10118	10.3
134.08925	0.3
134.10495	0.3
135.08073	1.4
135.11684	9.6
136.12016	0.3
137.09607	0.8
137.13235	1.7
139.07538	0.7
139.11208	0.7
141.06973	1.3
142.07785	0.5
143.08563	3.9
144.09341	0.3
145.06502	0.7
145.10115	5.8
145.11205	0.4
147.08043	1.5
147.11682	6.6
149.09604	2.4
149.13248	2.2
153.09099	1.0
153.12798	0.3
155.08559	2.3
156.09242	0.7
157.10126	5.8
158.10870	0.5
159.08028	1.1
159.11679	3.9
160.12416	0.3
161.09595	4.0
161.13246	4.4
163.07545	0.3
163.11234	0.5
163.14771	1.8
165.09160	0.3
165.16386	0.3
167.08556	0.3
168.09369	0.3
169.10115	2.1
170.10899	0.3
171.11681	3.3
173.09686	0.6
173.13243	5.4
173.14725	0.3
174.13860	0.3
175.11206	1.8
175.14812	9.4
176.15213	0.3
177.11406	0.2
177.16364	2.5
179.10645	0.3
181.10100	0.4
182.10963	0.6
183.11661	2.4
185.13213	1.8
187.11241	1.2
187.14796	4.9
189.12846	1.0
189.16367	24.0
190.16728	0.8
191.17920	2.1
193.08583	0.4
193.15958	0.3
195.11713	0.7
197.13246	4.4
198.13803	0.3
199.14813	4.6
201.12776	1.2
201.14783	0.3
201.16377	1.9
203.14352	0.6
203.17982	0.5
207.17459	1.5
209.13344	0.6
210.13980	0.4
211.14796	2.4
213.12776	0.3
213.16368	2.0
215.14310	3.6
215.17812	1.2
217.15865	9.0
218.16272	0.4
219.17451	0.5
223.14824	0.5
225.16399	0.7
227.17935	2.0
228.18578	0.3
229.15912	1.4
229.19536	0.9
231.17476	0.8
233.15428	0.3
233.19092	0.4
235.16899	5.3
235.19083	0.3
236.17261	0.3
239.17897	0.5
241.19566	1.0
243.17448	0.4
243.20970	1.3
245.15228	0.3
245.19057	1.0
249.18536	0.3
251.17891	0.4
253.19513	3.6
255.17494	0.3
256.26410	0.9
257.18921	1.0
257.26706	0.8
259.16953	0.4
261.14890	0.7
263.16547	0.8
265.19400	0.3
267.21030	0.6
271.20538	7.9
272.20969	0.6
273.18546	0.5
275.16446	0.7
277.17914	2.7
279.21292	0.2
283.26328	1.0
284.26703	0.6
285.22107	0.4
291.19473	0.4
293.22491	0.5
299.19992	0.7
317.21149	2.1
327.19910	0.4
333.25616	0.2
389.31982	1.2
407.33032	2.9
408.33514	0.4
425.34055	0.2
435.32608	2.7
436.32858	0.3
453.33423	1.5
467.35266	6.1
468.35382	0.7
477.35275	0.3
495.34512	0.5
512.50372	0.7
513.35730	100.0
514.36078	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	513.3572
Annotation	11-OXOURSOLIC ACID ACETATE
Peak:m/z	Relative Intensity
55.05506	5.7
57.07065	7.6
61.73074	1.3
67.05487	7.7
69.07063	10.0
69.41434	2.2
69.41837	7.8
70.06593	4.2
71.08598	2.7
79.05485	5.6
81.07045	17.5
83.08606	2.7
88.07623	4.6
89.05978	1.4
91.05469	6.6
93.07039	12.8
95.08603	30.7
97.06549	1.8
97.10165	2.0
102.09163	2.3
105.07019	15.2
107.08585	18.5
109.10152	16.5
111.08083	1.6
117.06996	2.7
119.08570	22.4
121.10138	22.7
123.11685	7.7
125.09679	1.9
129.06989	1.9
131.08554	18.5
133.08592	2.3
133.10126	12.0
135.11679	10.6
137.13234	2.1
142.07744	1.7
143.08551	6.3
145.10115	41.6
146.10509	1.8
147.11656	9.0
149.13261	9.5
155.08546	3.0
157.10103	9.1
158.10968	1.8
159.11690	17.4
161.13264	30.4
162.13623	2.4
163.14806	28.6
164.15166	1.5
169.10156	3.5
171.11703	8.7
172.12550	2.0
173.13231	9.7
175.14821	8.1
177.16386	9.9
179.14331	1.7
183.11731	3.5
185.13239	10.3
187.14804	100.0
188.15190	4.2
189.16391	11.5
191.18051	2.0
195.11687	3.5
196.66116	1.5
197.13385	1.8
199.14771	11.6
201.16377	38.3
203.17986	1.8
207.17484	10.4
209.13348	1.8
211.14795	1.9
213.16347	9.7
215.17912	11.7
223.14857	2.4
225.16412	3.4
227.17889	10.6
229.19511	1.9
233.18954	13.3
237.16295	3.5
239.17908	4.0
241.19518	8.5
243.21071	2.4
251.17886	2.8
253.19582	2.1
256.26340	7.4
257.26691	4.1
283.26288	8.9
284.26624	5.9
311.29236	1.8
365.28436	6.5
379.33463	6.4
389.31961	28.9
407.27875	2.6
407.33051	32.2
408.33380	2.8
419.58032	1.7
425.30450	34.5
426.30692	3.3
437.33936	1.5
439.35684	3.1
449.34100	7.0
467.35141	30.7
468.35361	4.0
512.50134	8.0
513.35254	4.6
513.50763	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	513.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53701	5.7
50.71157	5.7
55.01875	8.5
55.05512	28.3
56.96394	5.3
57.07077	45.5
58.06602	10.5
66.27059	5.2
67.05501	49.0
69.03409	7.2
69.07057	40.4
70.06579	8.9
71.04993	9.1
71.08628	26.7
72.70097	5.6
79.05491	41.2
81.07053	62.9
81.07517	7.9
83.08614	18.8
84.41745	5.0
85.02924	5.8
85.06533	11.0
85.10198	14.1
88.07622	22.4
89.06039	32.4
90.06405	9.5
91.05464	34.3
93.07041	53.7
95.08605	68.0
97.06528	8.9
97.10177	16.7
97.28814	6.9
102.09138	13.6
105.07025	39.2
107.08590	47.6
108.08837	5.9
109.06478	10.5
109.10155	37.5
117.07003	13.8
119.08571	60.1
121.06548	9.2
121.10146	37.6
123.11725	11.7
125.09692	7.4
129.07027	9.8
131.08562	30.6
133.08604	24.8
133.10126	41.9
134.08948	6.6
135.08032	10.5
135.11703	31.8
136.72548	5.4
137.05939	10.5
137.09575	9.9
143.08574	18.4
145.10104	42.4
147.11679	22.5
149.09578	12.3
151.11139	7.4
157.10101	17.5
159.11707	38.6
161.13194	21.0
163.11081	5.5
171.11694	9.5
173.09708	8.0
173.13257	21.6
175.14832	14.5
177.09081	12.1
177.11349	7.3
177.12801	7.3
177.16261	7.9
187.14818	21.8
189.09087	9.5
189.16412	16.2
199.11142	5.4
199.14828	11.2
201.08929	7.2
201.16374	49.3
203.17924	9.1
205.15892	23.1
213.16444	8.2
215.17896	7.3
217.08678	6.4
219.17340	8.2
236.14977	9.4
237.14900	7.1
247.16928	30.1
256.26218	32.1
257.26791	8.2
273.17999	5.8
279.23035	8.1
283.26343	25.6
284.26663	23.9
339.16013	6.5
407.32904	8.5
435.32355	20.2
464.66550	7.0
496.39175	7.8
512.50397	27.2
513.35858	100.0
513.50513	62.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	2.2
66.04687	1.7
67.05494	4.3
68.16277	1.5
69.03432	2.0
69.07054	9.9
71.04989	2.4
71.32513	2.3
80.05025	2.1
81.03406	2.4
81.07040	2.9
83.07447	1.5
85.02895	4.9
91.05463	2.8
93.05746	1.5
94.06548	12.0
95.04959	3.9
97.02894	3.2
97.06513	1.6
99.33028	1.5
103.05457	5.2
104.04967	2.6
107.04962	2.9
107.71662	1.6
108.04475	19.7
109.02913	2.7
112.07581	4.3
118.06526	2.1
121.06481	3.1
122.06022	39.3
123.04400	3.0
124.07547	2.0
127.03855	2.0
131.04959	4.0
137.02318	9.1
137.05975	15.2
140.07053	71.2
140.84906	1.4
144.04482	1.9
145.05035	2.5
146.06000	67.8
146.07153	3.4
149.05963	9.6
150.05453	3.3
152.07002	1.8
153.01817	1.7
153.12738	5.6
153.60910	1.5
154.13051	2.4
158.47853	1.5
161.05885	2.6
163.07491	3.6
164.08325	20.4
168.06534	19.8
172.03947	15.0
173.04718	16.9
174.05496	59.8
175.05922	1.5
176.07036	4.7
179.03392	4.2
181.05000	3.8
182.15279	1.4
190.04991	2.8
191.05740	12.1
192.06500	4.4
193.04942	4.4
204.06540	22.8
205.07243	2.1
206.08101	12.7
219.90140	1.5
225.10258	7.5
226.10966	2.3
237.10266	4.3
238.10828	2.4
239.11653	4.3
240.08983	4.8
241.09503	1.4
253.09717	6.8
265.09775	2.6
267.11246	6.9
281.09201	17.4
285.12234	6.9
295.10754	9.5
296.11227	2.0
297.12289	10.1
299.09946	28.9
299.13150	3.7
300.10968	6.2
313.11798	46.3
314.12198	4.2
317.10223	25.3
317.13696	1.2
323.10129	11.0
324.11148	10.6
331.12845	5.3
341.11298	100.0
342.11691	6.0
345.14508	2.6
356.13800	10.0
368.27499	1.9
373.13977	21.8
397.43039	1.7
440.18225	14.8
464.18079	5.8
482.19144	59.7
483.19287	5.4
496.20712	19.2
515.20673	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.0
55.01858	1.2
65.03958	1.4
66.04720	1.7
67.05499	3.6
69.03433	1.5
69.07063	12.7
71.05771	2.1
75.94820	0.9
79.05511	1.9
80.05027	1.7
81.03413	1.1
81.07049	2.3
85.02930	1.5
85.06530	1.4
91.05519	1.3
92.02645	1.9
93.05801	1.0
94.06570	18.0
95.04989	2.8
95.08611	2.7
97.06522	1.0
98.06058	2.4
104.05010	2.5
105.05806	2.2
108.04478	24.1
109.02876	1.1
112.07616	4.0
113.02389	2.8
115.94701	1.1
116.06286	1.4
118.06574	1.8
121.10094	1.0
122.06030	53.9
123.04459	2.7
124.07625	2.0
131.04916	1.1
133.05246	1.6
135.21445	1.0
137.05998	1.3
137.13319	1.7
140.07059	100.0
141.07434	1.2
144.04480	3.1
144.05641	1.9
145.05156	1.7
146.06001	69.3
147.04367	1.7
147.06595	1.1
149.05957	2.5
150.05508	3.6
151.03925	1.2
152.07082	2.0
155.14282	3.4
161.06007	3.1
162.05548	2.3
162.06815	3.6
163.07607	2.0
167.07069	2.5
168.05290	0.7
168.06555	20.2
168.07884	1.6
172.03931	16.3
173.04724	20.2
173.15356	1.9
174.05499	81.5
175.05899	2.1
176.07121	3.1
182.10088	1.1
183.08109	1.4
184.07346	1.1
190.05031	1.9
191.05742	13.2
192.06578	2.6
204.06541	17.1
205.07187	1.4
206.08131	12.8
207.06468	2.0
211.07448	7.3
213.09135	1.3
225.10312	4.5
237.10345	1.7
238.08450	1.0
238.10849	1.0
239.07118	3.3
239.11908	3.0
240.08963	2.6
249.05336	1.1
252.08847	2.0
253.09714	5.9
257.07916	1.2
265.09692	1.6
267.06470	2.1
267.11246	5.2
281.09174	11.0
285.12323	13.3
295.10767	7.5
296.11700	1.4
297.12320	4.3
299.10245	18.1
300.10956	3.6
313.11801	73.4
314.12186	3.6
317.10233	23.1
317.13690	1.6
318.10654	1.6
323.10233	7.8
324.11157	5.2
331.12891	6.3
341.11316	82.5
342.11694	4.7
343.12701	1.1
345.14539	2.7
356.13666	3.3
373.13916	8.3
431.10968	1.1
438.20511	1.7
440.18082	15.7
464.18164	7.8
479.15469	4.5
482.19199	98.1
483.19562	9.1
496.21359	6.2
500.20413	1.2
514.21625	2.4
515.20239	1.0
519.96948	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03413	6.7
69.19490	12.7
69.19919	13.1
81.03410	4.1
82.10747	2.8
85.02925	11.4
91.05497	10.2
103.05472	9.2
105.07039	6.3
107.04959	9.0
115.05470	6.6
117.07050	13.3
119.08588	3.2
121.06512	38.1
122.33689	3.2
123.04433	52.7
127.03953	5.8
131.04973	7.4
133.44363	3.3
137.05995	6.7
143.04942	3.2
145.06493	7.8
145.72479	3.3
146.06189	5.2
146.07269	31.7
147.07976	5.1
149.05980	42.5
149.09634	7.5
151.03880	4.3
151.07570	11.4
161.05997	11.9
162.06778	12.9
163.07596	11.4
165.09094	4.1
177.09111	51.3
178.09857	33.0
217.24001	3.7
225.09140	4.5
241.08490	4.0
257.08197	3.3
257.11835	7.5
272.10535	5.7
273.17712	2.9
281.11746	7.9
287.12756	9.1
299.12778	100.0
300.13092	6.1
313.11700	8.8
336.81720	3.5
373.13901	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	514.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07080	2.7
65.03944	4.7
67.05505	9.0
69.03437	2.5
69.28123	15.0
71.43275	1.9
79.05495	5.3
79.27691	1.8
81.03423	5.2
81.05809	2.0
81.07072	5.7
85.02907	5.4
91.05487	5.6
92.05000	4.3
93.03448	4.9
93.07025	1.8
94.04149	2.2
94.60114	1.7
94.87720	1.8
95.04982	2.4
95.08620	4.0
96.08150	2.7
97.02864	2.6
103.05447	11.1
104.06256	2.2
105.07067	2.1
106.06558	28.5
107.04955	10.3
108.08114	27.2
109.06520	3.4
109.10152	10.4
111.04455	3.7
115.04745	1.8
115.05473	4.1
117.07019	2.7
119.08575	2.3
121.06526	2.3
122.03653	4.7
123.06802	5.2
124.07592	18.1
125.06006	5.8
131.04956	7.1
132.05769	3.0
134.06013	17.5
136.07553	9.9
137.05978	75.7
137.07021	3.8
137.09630	18.2
140.07083	2.1
147.04428	6.2
147.08090	3.6
149.05988	3.2
151.03914	8.5
152.07071	66.8
153.05481	5.7
155.14288	6.2
160.05122	2.0
163.07542	15.5
164.08316	6.1
165.09140	10.2
170.08127	34.8
175.07593	13.5
178.04955	2.9
179.08498	2.7
181.06511	2.5
206.04509	5.1
207.08116	4.0
224.08420	4.1
233.08119	3.0
235.07600	7.4
239.10590	4.7
267.10208	5.5
281.11813	11.2
299.12784	100.0
300.13120	4.6
478.20645	3.9
496.21762	16.6
514.22833	59.1
515.21442	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	514.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01607	0.3
51.02376	1.0
53.03937	0.5
55.01860	0.4
58.13419	0.2
66.14459	0.2
67.05496	0.8
69.29772	1.2
77.03923	1.0
81.03423	0.8
85.02912	0.3
91.05492	1.1
93.07034	0.3
95.04958	1.2
97.02909	0.2
103.05480	0.4
105.03400	1.4
105.07063	1.0
107.04958	1.8
107.08634	0.3
109.06517	0.3
115.05457	1.0
117.07013	1.5
119.08561	0.3
121.06516	5.1
122.95480	0.2
123.04430	100.0
124.04745	1.7
131.04915	1.0
132.05742	0.3
132.93855	0.2
133.06482	0.5
135.04417	0.6
135.08038	1.3
137.05994	0.7
138.06816	0.2
143.04906	0.8
145.06522	1.0
146.07269	5.2
147.04391	0.4
147.08076	1.3
149.05980	4.5
149.09567	1.0
151.07550	2.3
161.05984	2.2
162.06796	2.0
163.07558	3.1
165.05492	0.3
177.09108	7.4
178.09898	5.3
179.10612	0.2
183.96637	0.2
193.12262	0.6
195.10190	1.7
266.09167	0.2
267.15875	0.5
272.10410	0.4
281.11581	1.0
285.16943	0.4
287.12650	0.5
299.12781	18.8
300.13062	1.3
356.32349	0.2
373.13818	0.6
381.64941	0.2
386.39334	0.2
491.96985	0.2
541.88916	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.9
55.05501	4.0
57.03435	5.4
67.05499	4.1
69.03425	18.1
69.07057	6.8
71.04981	3.3
71.31802	4.4
79.05509	14.9
81.03413	13.9
81.07051	8.2
82.87315	2.7
83.04953	4.5
85.02906	12.4
87.99602	2.8
91.05476	16.1
93.07040	63.2
95.04971	6.2
95.08610	5.8
97.02892	13.4
97.06530	3.6
99.04460	5.4
105.07018	10.8
107.08589	10.3
109.02867	9.8
109.06532	4.9
109.10130	4.5
111.08070	4.7
119.08572	14.7
121.10137	68.8
123.04427	4.0
125.06023	3.2
127.03903	10.6
129.07024	3.7
131.08513	5.6
133.07600	3.1
133.10124	4.6
137.05994	7.9
139.11177	4.7
140.07082	6.9
145.04987	7.7
145.06313	2.9
145.10173	4.2
149.09615	23.4
151.03889	7.8
153.01816	16.9
153.06969	6.3
154.02094	5.9
155.02345	3.1
155.08543	100.0
163.03825	3.6
167.07014	3.7
167.10681	22.5
171.02773	3.4
184.20288	3.1
191.01289	3.1
257.52792	3.1
271.13315	2.9
287.27026	3.1
293.13940	4.5
299.12869	5.3
311.14859	9.6
313.11749	7.8
329.15280	2.8
333.98346	3.3
341.11014	3.6
373.13953	5.1
384.75943	2.8
454.19751	4.4
482.19324	7.3
514.20685	9.5
514.26978	14.0
515.24707	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	514.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87652	3.0
53.03943	5.0
55.01871	12.8
55.05500	6.2
57.03424	4.2
58.81839	3.3
59.53734	3.0
65.03970	3.2
66.12851	3.0
67.05504	6.4
69.03436	15.3
69.07067	16.8
69.62333	16.9
71.04971	8.1
79.05491	15.6
81.03424	26.4
81.07050	26.4
83.04970	3.6
83.08624	3.2
85.02892	5.4
85.05662	2.9
85.06543	5.4
91.05493	32.8
93.07057	38.8
95.04953	8.8
95.08613	19.9
97.02872	3.7
97.06515	11.3
99.04459	13.3
105.07033	26.6
106.07388	4.6
107.04963	3.0
107.08607	44.2
109.02874	26.2
109.06493	15.8
109.10176	7.7
115.05504	3.3
117.07037	4.8
119.08576	16.9
121.06495	14.8
121.10143	34.1
123.08076	8.4
127.03918	20.6
131.08537	6.7
135.08020	7.3
135.11682	18.4
137.05978	8.6
143.08560	7.9
145.10100	24.1
147.08128	3.9
147.11641	8.6
149.09680	15.8
151.03925	5.9
151.07503	10.1
155.03548	5.5
157.10168	4.0
163.11185	62.8
164.11545	3.2
167.10699	22.5
169.08618	75.7
173.09604	4.6
181.12213	14.3
182.19133	3.0
185.13243	9.6
191.10712	31.8
209.11707	38.1
209.88678	3.2
227.12764	100.0
228.13287	5.6
239.38733	3.9
269.13864	5.1
335.14862	5.8
353.15964	32.4
371.17047	27.6
389.18286	3.3
465.70905	3.2
497.28925	4.2
514.12799	4.6
514.30957	5.7
515.18842	5.1
515.28406	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84929	0.6
53.03946	1.0
55.01871	1.4
55.05515	1.5
57.03434	3.5
57.07062	0.5
59.05000	1.1
61.02926	5.2
67.05479	0.8
69.03427	10.8
69.07069	5.3
69.07944	4.4
69.08350	0.7
71.04992	1.9
71.08631	45.1
73.02911	2.2
81.03422	4.8
81.07053	1.6
83.00433	0.5
83.01372	0.5
85.02904	65.8
86.03235	0.8
87.04462	0.8
91.03946	3.1
91.05507	0.7
93.07043	0.8
95.04948	0.6
95.08604	0.7
97.02893	16.3
99.04453	2.4
99.08093	100.0
100.08428	2.1
107.08600	1.0
109.02887	5.8
115.03918	0.6
119.08583	0.7
127.03922	13.3
129.12756	16.6
137.05916	0.9
144.25606	0.5
145.04956	23.3
145.10135	0.5
150.70341	0.5
152.52426	0.5
155.08586	7.2
155.14317	3.4
159.88460	0.5
162.92987	0.5
163.06024	10.0
173.15376	69.2
174.15752	1.5
181.61336	0.5
209.15340	1.1
224.21574	0.5
514.21332	0.8
515.24768	1.2
516.17328	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06201	1.6
53.03949	2.6
55.05510	5.2
57.03429	1.9
58.91119	1.6
61.02931	3.0
64.84879	1.6
67.05509	13.0
69.03436	6.6
69.07076	12.9
69.46857	8.1
69.47261	3.5
71.04998	6.4
73.06539	3.9
77.79975	1.6
79.05506	5.9
80.05028	2.0
81.03438	3.0
81.07054	64.3
83.04961	2.0
83.08608	1.6
85.02905	26.0
85.06544	87.6
91.05503	2.9
93.07066	2.8
94.06574	10.1
95.08604	50.4
97.02916	5.6
97.10162	3.1
99.08127	4.0
104.04963	2.0
106.04169	2.7
107.04924	2.2
108.04472	20.9
109.02901	3.9
109.10172	5.3
113.02397	6.2
121.06504	2.7
122.06033	30.3
123.04473	4.9
127.03946	8.2
137.02333	4.2
137.06006	3.9
137.13246	35.9
137.14279	1.8
139.03900	2.4
140.07059	53.1
145.05003	7.1
146.06012	24.2
147.04483	2.0
149.05988	6.4
150.05460	2.0
151.03923	2.6
153.01825	2.8
155.14301	95.8
156.14705	2.1
161.05957	9.5
161.09572	3.1
162.06735	3.2
163.06026	2.9
163.07579	2.7
165.06985	2.2
167.07111	3.9
168.06534	9.8
172.03958	9.9
173.04739	8.1
173.15376	100.0
174.05492	36.3
174.15727	2.3
175.07462	2.1
176.07060	2.3
189.09102	4.3
191.05713	4.2
204.06557	13.5
206.08214	6.7
207.10182	4.9
211.07503	8.8
213.09122	1.9
239.07091	5.2
267.06622	3.3
281.09195	2.6
285.12384	6.6
297.12366	2.7
299.10168	5.1
313.11777	37.9
313.15143	3.2
314.11972	2.1
317.10168	36.2
324.10910	2.0
331.12915	3.7
341.11359	21.9
373.13907	3.5
423.30780	1.8
440.18256	4.4
457.61356	1.8
464.18344	4.0
482.12579	3.6
482.19278	57.5
482.26184	4.1
483.19592	7.5
496.20737	3.9
500.20477	2.6
514.22382	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	514.312
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20625	2.0
51.59704	1.9
53.03927	4.0
55.01865	2.6
55.05510	29.1
56.05032	20.4
57.03426	4.2
57.07077	6.1
67.05501	37.9
69.03426	7.0
69.07070	23.6
69.35896	8.4
69.36295	4.5
70.06577	3.9
71.05001	3.9
71.08599	2.4
72.72910	2.0
74.06075	100.0
76.04002	26.3
79.05494	23.3
79.88302	1.9
81.03422	3.6
81.07053	50.0
83.04984	12.4
83.08607	13.9
84.04491	14.1
84.08166	2.6
85.02910	7.2
86.05497	2.4
86.06048	3.8
87.05566	3.5
91.05468	31.5
93.07040	64.4
95.04974	5.9
95.08598	79.6
97.06549	8.2
97.10166	29.2
101.05996	2.3
102.05545	10.7
103.03906	3.6
105.07027	55.2
106.07336	2.1
107.08582	43.4
109.06509	6.0
109.10158	57.2
111.08097	6.9
112.06967	2.0
112.07576	11.5
113.05933	2.1
113.07129	8.5
115.05077	4.7
117.07040	6.1
119.08575	78.0
120.06674	2.2
120.08936	2.4
121.06496	2.9
121.10139	20.3
123.08041	13.7
123.11700	21.4
125.06001	8.5
125.09697	4.7
129.05467	3.0
131.08139	16.2
133.06078	34.8
133.10129	35.4
135.08055	4.5
135.11703	13.6
137.06009	2.6
137.09615	26.0
137.13271	9.8
141.06601	3.4
142.32234	2.3
143.07056	6.8
145.10156	4.1
147.11684	36.4
149.09637	4.6
149.13239	10.7
151.11174	3.4
153.06602	5.2
157.10146	4.7
158.08076	11.6
159.07642	59.0
159.11731	3.5
161.09727	2.3
161.13269	8.9
163.11278	3.4
163.14818	20.1
165.09140	2.6
165.12779	6.4
165.16408	17.6
175.11192	13.3
175.14746	2.7
179.10689	5.3
179.17920	2.8
183.10225	4.0
185.13252	4.1
187.14854	4.4
189.12718	3.2
189.16368	30.2
193.12244	44.8
207.13866	6.2
207.17403	12.6
211.13284	17.0
216.09837	7.0
217.19501	6.7
227.17909	4.2
234.10831	84.1
235.11261	2.9
245.19043	8.2
250.31342	2.6
263.20081	17.5
272.12366	3.7
281.21002	2.1
318.24127	6.0
336.25537	3.0
346.23712	4.8
356.24301	12.0
357.24255	2.9
364.24899	15.9
382.25894	5.5
413.26291	8.1
452.27335	11.6
468.28198	2.5
478.28687	4.4
496.30295	19.0
514.13824	6.7
514.31140	30.9
515.30713	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	514.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.9
55.01860	5.1
55.05508	24.0
56.29489	2.7
57.03431	22.4
58.06584	9.1
59.03339	3.0
60.08174	2.8
67.05164	4.0
67.05505	72.6
69.03438	3.9
69.07070	19.9
69.20761	20.3
69.67089	3.0
69.71494	2.8
71.04983	7.3
79.05484	50.5
81.03416	46.3
81.07051	85.7
82.07400	3.9
83.04979	16.6
83.08617	29.9
83.55104	3.1
85.02905	16.7
85.06547	4.3
91.05473	43.5
93.07045	60.4
95.04985	20.8
95.08609	31.8
97.06516	13.3
97.10190	4.7
99.04398	3.4
99.08075	4.7
99.56060	2.8
105.07037	32.2
107.04970	4.6
107.08585	30.8
109.06532	7.5
109.10143	7.2
111.08083	15.0
117.07002	10.1
119.08589	25.1
120.36207	3.2
121.06489	4.1
121.10139	23.9
123.08071	7.7
123.11714	5.1
124.88669	2.5
125.09611	3.8
129.06998	6.8
131.08591	19.0
133.10130	17.2
135.11693	10.4
139.11194	3.7
143.08572	3.3
147.08102	3.0
147.11693	12.3
149.05966	6.0
149.09659	6.8
149.13243	35.0
150.91208	2.9
151.07509	2.6
157.10127	12.0
159.08038	2.8
159.11684	11.9
171.11739	3.1
175.11192	7.7
177.12714	6.8
193.12207	45.7
195.13800	17.2
200.19994	5.1
211.11415	5.2
211.13289	61.2
211.15126	5.1
212.13609	4.0
236.14896	30.4
267.15921	19.1
269.17441	100.0
270.17838	7.1
285.17010	36.9
336.29803	3.7
341.10370	4.5
369.36072	2.9
461.28998	26.5
462.29730	3.3
479.30020	61.7
480.30048	5.5
496.36313	9.1
514.30109	9.5
514.36920	16.9
515.29889	7.7
515.36841	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	514.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.6
55.01870	5.0
55.05268	1.5
55.05512	26.9
57.03437	18.1
57.07061	4.1
58.06594	12.7
59.07384	2.5
60.08150	3.7
61.02904	2.6
65.03928	3.7
67.05502	97.4
68.05852	2.7
69.03432	5.9
69.07062	24.6
69.15591	15.7
71.04990	8.3
73.02909	3.7
79.05492	66.0
81.03414	36.9
81.07054	100.0
82.07384	2.9
83.04970	17.1
83.08615	26.6
85.02901	15.0
85.06547	5.9
87.04456	3.2
91.03956	2.2
91.05477	52.0
93.07043	71.6
94.07388	2.6
95.04960	20.5
95.08601	52.5
96.08920	1.9
97.02886	4.7
97.06535	10.2
97.10165	9.7
99.04429	1.8
99.08099	3.7
105.07023	36.3
107.04939	5.9
107.08597	42.2
109.02848	1.9
109.06517	8.0
109.10155	26.7
111.04464	2.1
111.08083	10.4
113.06004	2.2
115.05447	2.0
117.07020	13.8
119.04907	1.8
119.08582	26.5
121.06496	5.3
121.10146	34.6
122.10460	2.0
123.08089	5.7
123.11691	12.7
125.09662	4.6
129.05475	3.7
129.07001	7.9
131.07030	2.8
131.08578	23.2
133.06474	4.0
133.10127	28.0
135.08064	6.2
135.11693	22.2
137.05948	4.0
137.09615	5.5
137.13210	2.7
142.07771	2.3
143.08591	3.7
144.10277	2.3
145.10146	13.3
145.77605	1.8
146.10486	2.0
147.08134	3.4
147.11674	19.6
149.05980	4.2
149.09602	7.8
149.13235	21.8
151.07562	3.1
151.11179	2.7
157.10118	11.5
158.10472	2.6
159.08052	1.9
159.11691	14.1
161.13243	7.4
163.11195	4.9
163.14816	7.4
171.11736	4.4
173.11909	3.1
173.13222	11.7
175.11179	9.8
177.12755	4.7
187.11111	2.8
187.14836	6.3
189.11232	3.7
193.12245	30.3
195.13770	11.3
200.20155	4.7
211.13271	45.0
236.14923	35.9
243.21082	9.6
245.13881	5.3
249.14914	2.5
259.20529	2.3
261.22110	34.4
267.15866	9.5
269.17459	53.8
279.23242	3.7
279.60593	2.0
285.16946	33.7
335.25681	8.3
341.10260	3.6
353.26752	6.0
369.24118	2.7
443.27850	3.7
461.28986	18.0
469.28784	2.6
479.30017	52.5
480.30243	5.6
496.36325	7.4
497.30154	2.7
514.28943	2.4
514.37219	34.5
515.20209	8.5
515.29749	6.5
515.37061	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	2.9
57.03433	6.6
58.06332	1.6
58.06599	21.8
59.07382	8.1
60.08158	9.0
67.05506	5.7
69.07069	2.2
69.93884	0.9
70.22421	2.5
73.02932	1.3
75.04470	3.5
79.05492	4.7
81.07047	4.3
82.16572	0.9
85.02924	2.0
85.92834	0.8
86.64148	0.9
87.04462	5.2
91.05470	3.8
93.07036	4.1
95.04979	1.2
95.08603	6.0
98.23285	1.2
105.07033	3.2
107.08582	4.1
108.08913	0.9
109.10169	2.0
115.65202	0.9
117.07056	1.4
119.08545	2.5
121.10126	2.0
126.14229	1.0
131.07045	1.5
131.08588	2.0
133.10092	1.5
135.11688	2.0
137.05951	1.2
137.09633	0.9
144.10216	6.4
145.10143	1.6
147.11678	1.3
159.11755	1.0
162.11200	4.2
171.11623	1.3
199.11118	0.9
236.14919	100.0
237.15320	3.0
269.35492	1.0
322.21475	0.9
451.28970	1.0
478.35400	17.8
479.35251	1.8
496.36304	76.1
497.29828	1.4
497.36731	7.6
514.27515	2.2
514.35376	14.1
515.30011	3.8
515.36798	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	514.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	10.0
57.07078	9.2
67.05497	21.5
69.07073	12.6
70.53184	6.6
70.53495	6.0
79.05499	9.0
81.07051	20.8
83.08620	9.4
87.39701	4.3
91.05483	14.7
93.07049	17.5
95.08611	51.8
97.10190	6.9
105.07032	34.6
107.08588	36.2
109.10162	34.1
119.08580	65.9
121.10159	24.5
123.11669	7.7
123.28848	3.9
131.08556	16.1
133.10114	63.2
135.11682	12.2
145.10121	21.0
147.11685	44.1
149.13235	6.2
159.11668	20.6
161.12128	5.6
161.13252	29.9
163.14848	4.7
171.11600	4.7
173.13312	7.4
175.14877	14.6
176.21449	3.9
177.09052	10.8
177.16380	8.1
187.14861	7.2
189.16393	58.4
191.17946	14.7
201.16396	71.4
203.17961	100.0
204.18336	5.4
205.12280	4.6
215.18001	6.9
229.15936	5.1
229.19562	4.5
235.17035	10.1
247.16937	60.5
247.19278	6.3
249.18327	5.6
391.33765	7.3
437.34152	52.3
514.50903	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	515.1888
Annotation	Kadsuphilol G
Peak:m/z	Relative Intensity
53.03946	0.5
55.05502	1.0
57.29253	0.4
67.05490	1.3
69.03435	0.5
69.07090	0.5
73.96129	0.4
79.05492	1.0
81.03432	0.5
81.07052	1.3
81.24041	0.4
83.01093	1.4
83.04982	0.4
83.08587	0.5
84.01878	0.4
85.02881	0.5
91.05479	1.1
92.34604	0.4
93.07063	1.9
95.01078	3.3
95.04985	0.8
95.08601	1.5
96.01874	1.5
96.04491	0.4
97.10162	0.6
101.72108	0.3
103.05521	0.4
105.07039	1.9
105.40846	0.3
107.04958	0.7
107.08562	1.9
109.06529	0.5
109.10151	1.2
112.01334	1.1
113.02116	2.6
113.05999	0.4
117.07113	0.4
119.08580	1.1
121.06499	1.3
121.10142	0.9
123.08083	0.5
126.02920	0.4
127.03867	0.6
131.04910	0.9
131.08557	1.0
133.10152	0.9
135.11687	0.8
137.05962	0.4
139.03693	0.5
143.08586	0.6
145.10118	1.3
149.05949	1.8
157.04733	0.9
157.10149	0.8
159.11661	0.7
164.08289	1.0
164.69316	0.4
167.03171	1.1
169.10136	0.5
171.04161	16.8
171.11739	0.6
172.04851	1.0
173.13174	0.5
183.11710	0.4
185.04214	6.2
185.05701	0.8
186.06477	1.8
187.07419	0.4
187.14743	0.5
189.05211	0.4
191.10735	0.5
201.03712	3.1
202.00784	0.4
203.05266	10.9
219.09578	0.5
335.12509	3.0
353.13443	0.5
365.12015	0.6
479.28400	0.5
497.28549	0.5
515.18854	100.0
516.19220	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	515.189
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45761	0.2
55.01882	0.3
55.05515	0.5
64.33536	0.2
66.71721	0.3
67.05508	1.0
69.03439	0.9
69.05377	2.5
69.07067	0.4
71.04989	0.4
76.00292	0.3
79.05505	0.7
79.31239	0.3
81.03428	0.7
81.07058	1.3
85.02896	0.5
91.05495	0.9
93.07053	1.2
95.04955	0.5
95.08605	1.2
97.02853	0.4
97.06538	0.4
97.10174	0.4
105.07037	1.1
107.04949	0.4
107.08606	1.0
109.02908	0.6
109.06503	0.5
109.10170	0.9
111.08107	0.3
119.08588	0.7
121.06551	0.5
121.10135	0.6
123.04400	0.4
123.08083	0.5
127.03835	0.6
131.01094	0.5
131.08577	0.6
133.10161	0.7
135.08051	0.4
135.11717	0.3
137.09625	0.8
139.11176	0.4
143.08559	0.4
145.10144	0.9
147.04448	0.5
147.11682	0.4
149.09595	0.6
151.03897	0.3
157.10075	0.5
158.10501	0.3
158.38278	0.3
161.13304	0.4
163.11232	0.4
165.09149	0.5
171.04173	16.9
171.11674	0.4
172.04933	3.0
173.05756	0.3
173.13300	0.4
185.04202	4.1
186.05034	0.4
189.39803	0.3
191.10722	0.6
205.12219	0.3
207.06625	0.8
279.02286	0.3
289.10641	0.3
294.07092	0.8
303.36038	0.3
334.10269	3.8
335.11151	1.5
353.13565	7.9
354.14017	0.6
469.29883	0.5
515.18872	100.0
516.19232	9.5
516.26923	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.189
Annotation	Kadsuphilol G
Peak:m/z	Relative Intensity
55.05493	0.3
67.05471	0.7
69.03437	0.6
69.07076	0.4
69.71903	1.2
76.25429	0.3
79.05488	0.8
81.03416	0.7
81.07052	1.1
85.02892	0.5
91.05482	0.5
93.07039	0.8
95.05011	0.3
95.08590	0.7
97.02593	0.5
98.23249	0.4
105.07024	0.8
107.04963	0.3
107.08599	0.8
109.02884	0.4
109.10178	0.5
119.08597	0.4
121.10159	0.8
127.03873	0.5
129.07085	0.4
131.08551	0.5
133.10121	0.4
135.08115	0.4
135.11722	0.4
137.09630	0.4
147.11713	0.5
161.09737	0.2
163.11079	0.3
165.09039	0.3
169.04842	0.3
171.04164	32.3
172.04947	6.0
173.05748	0.4
185.04228	3.6
189.05304	0.4
189.12787	0.3
203.10733	0.3
296.78220	0.3
302.48154	0.3
334.10211	10.0
335.10977	2.5
341.36926	0.3
353.01593	0.3
353.13516	5.3
497.18198	0.4
515.18860	100.0
516.19263	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	515.204
Annotation	(3S,7R)-8-benzyl-3-{[(3-hydroxy-4-methoxypyridin-2-yl)carbonyl]amino}-6-methyl-4,9-dioxo-1,5-dioxonan-7-yl 2-methylpropanoate
Peak:m/z	Relative Intensity
55.05507	1.6
55.06602	0.6
57.07066	0.7
67.05492	2.3
69.07061	2.4
70.37830	1.3
70.38192	1.4
70.98199	0.6
71.04971	0.6
77.16051	0.6
79.05483	1.4
81.07051	3.8
83.08629	1.1
86.09704	0.6
91.05493	2.1
91.90144	0.6
93.07053	2.2
95.08611	3.3
105.07018	1.6
107.08606	2.5
109.10170	2.0
111.08076	0.7
119.08560	3.1
121.06461	0.7
121.10135	3.1
123.08114	0.7
125.09701	0.8
131.08545	1.1
133.10124	2.2
135.11702	0.8
137.13193	0.7
145.10155	1.9
147.11655	0.8
149.09619	0.7
155.08513	0.6
159.11601	0.6
161.09578	0.8
170.97751	0.6
171.11661	1.1
173.13252	0.7
175.14848	0.8
187.14832	0.6
187.74463	0.6
189.16455	1.0
291.20389	0.6
333.10999	0.6
334.11697	3.3
335.12332	0.8
406.38177	0.6
421.91803	0.6
426.08279	0.7
437.30695	0.8
469.29340	0.6
497.30276	1.0
514.35626	2.6
515.20416	100.0
515.37201	34.9
516.20807	9.9
516.28925	0.9
516.36932	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.204
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37114	0.3
55.05499	1.4
58.96045	0.3
64.89728	0.3
66.33343	0.4
67.05498	1.6
69.07051	1.2
70.57232	0.6
70.57542	0.7
71.04978	0.7
71.83883	0.3
79.05489	1.4
81.07056	1.9
83.39171	0.4
86.57557	0.3
91.05473	1.1
92.14692	0.4
93.07031	1.9
95.08597	3.0
99.04457	3.0
105.06997	1.8
107.08585	2.1
109.10143	1.4
119.08562	2.2
121.10093	2.2
123.08049	0.5
123.11645	0.4
131.08580	1.2
133.10092	1.7
135.08037	0.5
135.11684	1.4
137.09547	0.4
139.11209	0.4
143.08551	0.6
145.10127	1.5
147.11690	1.4
149.09589	0.6
157.10173	0.8
159.11678	1.0
161.13304	0.7
163.14809	0.5
167.06923	0.4
168.65396	0.4
169.10060	0.3
171.11639	1.4
173.13239	0.9
175.03653	0.4
175.14795	0.8
183.11719	0.4
185.13339	1.0
187.14822	0.8
189.05766	0.4
189.09138	0.5
189.12776	0.6
189.16403	0.5
191.17963	1.6
203.18010	0.8
207.13817	0.6
211.14886	0.5
243.17505	0.7
261.18597	0.4
334.11771	2.1
335.12445	0.5
367.89423	0.4
377.18542	0.4
433.34689	0.6
441.30173	0.5
451.35648	1.4
463.30194	0.4
469.29468	0.4
497.29587	0.7
497.36099	2.2
514.36267	0.5
515.20386	100.0
515.38068	3.5
516.20746	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	515.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30259	1.0
55.05511	3.1
62.49533	1.0
65.04976	0.9
67.05492	5.1
69.03410	1.5
69.07076	3.2
71.33662	2.1
79.05508	2.3
81.03176	2.0
81.07043	4.9
83.08608	2.0
85.06535	1.2
85.43743	1.2
91.05492	2.5
93.07065	4.6
95.08604	7.8
105.07009	5.7
107.08576	5.4
109.10171	3.0
118.04185	1.1
119.08566	5.5
121.10143	3.4
131.08516	2.1
133.10120	5.4
135.08083	1.7
135.11714	3.0
143.08607	2.0
145.10115	3.7
147.11708	2.2
151.50449	1.1
159.08238	1.5
159.11743	4.0
161.13255	1.8
163.07504	1.1
171.11609	1.8
173.09680	1.2
173.13272	2.3
175.11256	1.4
175.14864	2.5
179.94658	1.2
185.13220	1.8
187.14885	1.4
189.16425	3.0
190.77472	1.0
191.07111	1.4
209.08131	2.6
263.16394	1.7
273.18790	1.2
276.00760	1.4
296.16168	1.5
334.11868	2.9
335.12286	1.8
379.77341	1.1
439.32751	1.1
451.32257	3.1
469.33179	2.3
479.29962	2.0
483.33960	1.6
497.32532	2.2
508.28476	1.3
514.35895	3.7
515.20496	100.0
515.37506	67.8
516.20654	10.1
516.37189	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	515.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.6
57.07079	0.4
67.05495	0.8
69.07059	0.7
69.54153	1.5
79.05505	0.4
81.07048	0.7
83.05023	0.3
83.08619	0.4
84.04726	0.2
91.05483	0.6
93.07031	0.8
95.08597	1.1
105.07009	0.6
107.08613	0.6
109.06538	0.3
109.10153	0.5
119.08546	0.7
121.10129	0.7
133.10112	0.7
134.98085	0.3
147.11716	0.4
149.09627	0.3
159.11705	0.5
179.14156	0.2
185.04193	0.5
189.16455	0.5
203.05278	0.4
226.87859	0.3
240.20628	0.3
348.28418	0.3
429.25980	0.5
443.35297	0.3
515.31824	100.0
516.32062	6.9
516.38861	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.4
55.05510	0.9
57.07078	0.5
66.21857	0.3
67.05506	2.1
69.07068	0.9
69.73417	1.4
71.05015	0.4
71.47520	0.3
79.05490	1.7
81.07062	2.1
81.84148	0.3
83.04978	0.5
83.08621	0.7
83.30383	0.3
84.06398	0.3
85.06548	0.3
91.05492	1.7
93.07057	2.2
95.08605	2.5
96.30939	0.3
97.06532	0.4
105.07063	1.1
107.08597	1.2
109.10159	1.0
111.08107	0.3
117.07021	0.5
119.08607	1.0
121.06507	0.6
121.10152	1.2
123.11759	0.3
131.08592	0.7
133.10146	0.7
135.11679	1.0
137.05963	0.4
143.08653	0.3
145.10181	0.6
147.11679	0.5
149.09676	0.3
152.26930	0.3
159.11758	0.5
171.11691	0.6
185.04138	0.7
189.09152	0.7
191.07129	0.4
237.14874	0.8
261.11249	0.6
279.12259	1.4
515.31897	100.0
516.32233	7.3
535.83936	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	8.0
53.73611	3.3
55.05520	20.8
57.03442	7.4
57.07080	4.6
59.44574	3.6
61.02933	5.4
65.03947	3.9
67.05163	7.0
67.05512	100.0
67.54317	3.8
67.73087	3.5
69.03414	7.3
69.07063	24.0
70.12891	14.6
71.05000	6.2
73.02943	4.3
79.05494	55.0
81.03426	4.6
81.07066	96.5
83.04991	6.3
83.08616	10.7
85.02892	5.7
85.06552	4.7
91.03938	4.5
91.05482	29.6
93.07053	65.5
95.04987	10.8
95.08613	76.4
97.02860	3.7
97.10178	4.4
105.07024	37.2
107.08611	45.4
109.06512	4.8
109.10157	31.5
113.27771	3.7
115.05429	4.0
117.07024	10.9
119.08604	29.9
121.06573	4.4
121.10159	39.4
123.08088	7.0
123.11693	20.9
129.07091	3.9
131.08563	27.8
133.10144	28.6
135.11676	28.8
137.06024	7.8
137.13278	6.6
143.08560	5.8
145.10141	19.4
147.11713	19.8
149.13234	20.9
157.10144	5.6
158.66231	3.4
159.11705	11.8
161.13286	11.3
163.14830	13.7
164.77269	4.0
173.13353	17.0
175.14839	7.2
177.16382	6.4
187.14813	8.5
189.16515	6.6
203.84666	3.4
243.21065	17.2
261.22208	62.7
303.23306	4.1
335.25842	21.6
353.26971	11.0
439.31998	9.5
451.31860	10.7
469.33273	28.1
497.31107	5.1
515.36377	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	515.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.5
54.75208	3.7
55.05519	24.1
55.56937	3.5
55.68715	3.7
57.03440	7.7
57.07071	10.7
64.21368	3.6
65.03943	4.1
67.05507	92.4
69.03424	8.2
69.07059	15.8
70.12522	9.8
79.05492	60.9
81.03407	9.3
81.07059	100.0
83.04935	6.5
83.08624	13.1
91.05487	38.7
93.07045	76.0
95.04973	10.7
95.08605	63.5
97.06534	7.3
97.10151	4.8
99.08095	5.9
105.07031	34.9
107.08596	56.4
109.06537	5.0
109.10160	41.3
111.08070	4.9
117.07032	12.6
119.08591	24.3
121.10161	40.2
123.11702	16.0
129.07014	6.5
131.08566	25.2
133.10121	24.0
135.11688	36.8
143.08591	5.3
145.10121	22.3
147.11716	15.2
149.13246	18.6
158.52937	4.7
159.11739	21.2
161.09686	4.1
161.13319	13.5
163.14836	13.4
173.13348	20.6
175.14848	6.5
177.16376	5.6
187.14874	12.4
199.14828	4.1
243.21004	29.5
261.22165	73.8
335.25827	13.0
353.27051	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	515.321
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97094	1.7
53.03943	5.7
54.53981	1.6
55.01871	3.1
55.05512	19.6
57.03432	4.9
57.07059	7.8
61.02922	2.4
65.03926	2.1
66.47532	1.6
67.05501	96.7
68.05810	1.9
69.03422	7.7
69.06759	2.2
69.07066	21.9
71.04990	5.9
71.08624	2.3
71.31816	2.6
79.05488	70.1
81.03419	3.9
81.07050	100.0
83.04972	4.4
83.08606	10.4
83.09044	1.9
85.02880	5.3
85.06530	4.5
91.05475	43.2
93.07038	75.1
95.04964	8.3
95.08602	76.8
96.08940	3.1
97.02883	3.8
97.06515	7.1
97.10149	6.2
99.04463	1.9
99.08073	3.0
105.07020	35.5
107.04940	6.9
107.08591	52.7
109.06483	6.7
109.10149	38.3
111.04450	2.1
111.08076	3.5
113.09692	2.5
117.07022	15.4
119.08563	33.5
119.13905	1.8
121.06490	3.4
121.10135	57.9
122.10474	2.1
123.08057	2.8
123.11700	19.2
125.05990	2.0
125.09628	4.4
129.07024	3.6
130.07727	2.2
131.08556	26.5
133.06522	3.2
133.10120	24.7
135.08012	3.9
135.11688	33.9
137.09584	4.8
137.13263	8.6
139.07571	2.2
139.11151	5.2
143.08534	5.4
145.10129	25.5
147.07971	4.4
147.11703	17.9
148.12109	1.9
149.05959	2.4
149.09578	4.9
149.13243	23.8
149.54808	1.8
151.11197	2.2
151.14719	1.9
153.12779	2.2
155.08577	3.0
157.10094	4.4
159.11690	21.0
161.09596	3.0
161.13217	13.1
163.11200	10.7
163.14771	16.2
165.12727	3.9
169.10031	2.3
171.11729	5.6
173.09703	2.7
173.13234	22.8
175.11205	3.8
175.14809	8.7
177.12730	3.8
177.16365	4.1
179.14160	2.1
181.12154	3.3
185.13245	4.3
187.14824	14.5
189.12732	2.3
189.16409	4.7
191.10686	2.0
191.14330	2.1
199.14809	2.9
201.16409	4.2
205.15718	3.2
215.10728	2.0
215.14357	3.1
227.12808	9.5
243.21046	25.2
245.13850	12.9
261.22113	78.4
262.22452	4.1
264.21637	2.0
279.23410	3.4
335.25638	12.0
353.26740	11.0
425.43958	2.0
443.31531	5.2
461.32901	9.0
463.30267	2.2
497.28964	5.4
515.20508	44.5
515.28412	2.2
515.31091	2.8
515.36688	8.7
516.20593	7.3
535.56433	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52480	1.6
53.03950	5.6
55.01863	2.5
55.05507	21.8
55.09094	1.4
57.03432	9.9
57.07073	4.8
61.02917	3.8
61.46856	1.4
65.03954	2.7
67.05502	89.4
68.05799	1.8
69.03425	7.2
69.07069	19.2
69.10619	2.1
69.10942	15.3
69.60747	1.5
71.04981	6.3
75.04482	2.8
79.05489	55.9
80.94472	1.6
81.03418	8.5
81.07053	100.0
82.07367	3.6
83.04977	5.5
83.08624	11.8
85.02900	8.5
85.06549	3.4
85.28552	1.8
86.09707	1.5
91.03952	2.3
91.05474	39.2
93.07037	65.7
93.07611	3.5
95.04964	7.0
95.08598	67.4
96.08966	2.4
97.02872	3.8
97.06530	5.7
97.10165	4.9
99.08103	2.0
105.04481	1.9
105.07026	29.8
107.04967	3.6
107.08591	43.0
108.08904	2.0
109.06506	6.6
109.10151	41.2
111.08083	3.1
111.11710	1.8
113.09663	1.9
117.06998	10.3
119.08573	25.5
121.10137	36.7
123.04384	1.6
123.08070	4.8
123.11704	17.1
125.09641	3.5
129.07024	2.6
130.07907	1.7
131.08556	21.7
133.06367	1.8
133.10141	20.4
135.08080	3.6
135.11684	21.3
137.06032	2.1
137.09618	5.8
137.13263	5.9
139.11176	4.8
143.08583	3.3
145.10112	17.3
147.07976	2.3
147.11671	14.7
149.09625	3.8
149.13245	18.8
151.11166	2.0
153.09105	1.9
155.08516	2.8
157.10127	3.8
159.11702	16.4
161.09587	2.2
161.13243	13.0
163.11185	3.4
163.14810	12.2
165.12746	3.0
171.11754	3.2
173.13263	17.6
175.11168	3.3
175.14857	5.6
177.12769	3.2
177.16400	5.0
179.14284	2.6
185.13306	3.0
187.14781	10.9
187.45351	1.5
189.16479	2.7
191.10455	1.7
191.14348	2.0
193.12178	2.5
193.47977	1.5
199.11256	2.1
201.16394	3.9
205.15906	1.8
211.13312	2.6
215.17982	2.4
233.22630	3.6
240.23326	1.7
243.21085	20.9
245.13759	9.5
261.22110	65.5
262.22424	3.0
269.17465	3.5
270.17801	2.7
279.23224	3.9
285.17047	1.8
303.22971	2.6
306.13840	1.7
317.24542	2.5
335.25864	21.0
345.24100	2.3
350.64886	1.9
353.26855	12.4
369.24323	3.4
419.27789	1.9
480.30453	5.6
497.29987	3.8
515.20715	11.4
515.29224	8.1
515.37177	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	515.3707
Annotation	Lys Val Ile Arg
Peak:m/z	Relative Intensity
55.05505	0.7
62.78333	0.3
64.03683	0.3
67.05499	0.9
69.07075	0.3
69.46514	2.0
79.05493	0.6
81.07059	1.1
91.05486	0.5
93.07042	1.1
95.08617	1.1
102.60899	0.3
105.07029	1.0
107.08592	0.6
109.10144	0.5
111.81026	0.3
119.08583	1.1
121.10159	0.7
123.08134	0.5
125.09585	0.4
131.08659	0.5
133.10150	0.7
135.37363	0.3
137.06033	0.4
143.08623	0.4
147.11786	0.4
157.10078	0.4
159.11676	0.5
163.14868	0.4
173.13335	0.5
187.14818	0.5
190.28539	0.3
249.16571	0.3
469.29910	0.4
485.36072	0.3
497.28775	0.3
515.37134	100.0
516.30127	0.5
516.37415	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	515.3704
Annotation	Poricoic acid HM
Peak:m/z	Relative Intensity
55.05511	1.1
62.06078	0.7
67.05502	2.0
69.07051	1.3
69.72685	2.4
74.48650	0.5
79.05486	2.1
81.07046	3.1
83.08620	1.2
86.09716	0.9
91.05479	1.6
93.07037	2.1
95.08614	3.8
98.22569	0.7
105.07029	2.4
107.08576	3.8
109.10152	2.1
119.08591	4.6
121.06467	0.9
121.10121	2.8
123.11678	1.0
124.73839	0.8
128.12154	0.4
131.08551	0.9
133.10133	2.2
135.08047	0.8
135.11705	2.2
145.10152	1.4
147.11714	2.0
149.13283	1.2
155.08530	0.7
159.11780	1.8
161.13239	1.4
163.11197	0.7
163.14799	1.2
165.08884	7.5
171.11569	0.5
173.13286	1.5
175.14789	1.1
177.16425	0.6
177.50186	0.4
185.13277	0.7
187.11176	0.8
187.14827	1.8
189.16367	1.9
191.17921	0.5
201.16350	0.9
203.14317	0.7
203.17976	0.9
205.15936	0.6
206.12828	0.8
211.14999	0.6
213.12808	0.6
213.16338	0.6
259.20474	0.8
287.19791	0.5
290.21091	0.9
355.26022	1.0
381.27722	1.2
399.28677	2.7
409.34787	0.8
413.30188	2.6
425.30261	0.7
428.32663	1.8
443.31436	1.6
465.33197	1.5
469.29181	1.0
471.30850	1.1
481.36292	1.3
483.34433	73.1
484.34714	6.4
497.29462	0.7
497.36197	3.0
498.37592	1.7
515.37109	100.0
516.38617	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	515.3724
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63804	4.6
50.98032	4.9
51.11437	5.0
55.05492	10.4
57.07054	6.1
67.05496	23.1
68.71403	6.0
69.07050	17.0
69.14957	30.7
69.15382	19.1
69.67217	5.1
71.44695	4.7
77.26678	5.2
79.05471	15.1
81.07050	36.0
83.08607	9.6
85.06526	4.9
89.14034	4.8
89.74982	5.2
91.05460	20.9
93.07046	36.7
95.08595	54.0
105.07014	31.9
107.08590	43.3
109.06448	5.4
109.10153	21.3
118.80291	5.4
119.08576	55.5
121.10117	22.8
123.08022	10.8
123.11716	5.7
131.08553	15.2
133.10112	38.0
135.11687	24.8
145.10112	29.8
147.11673	27.5
147.36430	5.6
149.13263	12.7
159.11670	18.9
161.13280	10.0
163.14772	9.2
169.10156	5.8
173.13203	14.3
175.14841	14.4
185.13199	8.7
187.14816	24.1
189.16371	48.1
201.16301	40.0
203.17981	19.1
205.15775	15.7
215.17882	6.7
229.19301	8.5
241.19508	8.3
247.16885	12.8
255.21053	12.6
269.22574	8.1
399.29236	7.6
437.33997	15.9
469.36713	100.0
470.37033	14.0
515.29474	12.6
515.36951	95.5
516.37628	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	515.3734
Annotation	rubiarbonone C
Peak:m/z	Relative Intensity
53.19291	2.1
55.05502	6.8
57.07058	3.0
67.05495	11.7
69.07054	8.1
79.05488	8.9
81.07056	23.6
83.08623	3.9
91.05444	5.8
93.07042	19.8
95.08601	31.5
97.10220	2.8
98.23338	4.4
105.07050	14.4
107.08590	19.4
108.46140	2.3
109.06537	3.4
109.10147	15.6
117.07020	2.9
119.08577	20.2
121.10165	16.1
125.09718	2.6
131.08562	7.1
133.10114	12.8
135.11688	15.5
143.08504	2.5
145.10121	14.5
147.11702	19.3
149.09633	2.5
149.13234	10.0
157.10164	5.3
159.11690	10.6
161.13264	7.2
163.14824	6.0
164.40234	3.0
171.31563	2.8
173.13283	3.7
175.14795	5.4
177.16353	8.3
183.11765	3.6
185.13368	2.7
187.14833	17.5
189.16373	35.6
191.17902	3.2
201.16345	8.8
203.17947	5.1
205.15875	50.4
206.16187	2.8
215.17894	5.5
241.19489	2.6
249.18517	4.4
255.21236	4.4
276.45966	3.1
391.33420	5.9
415.28067	3.0
429.25885	2.6
451.35553	9.2
469.36774	100.0
470.37131	14.5
497.14316	2.7
497.35999	4.7
515.29199	41.8
515.37207	8.4
516.30511	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	516.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
68.74517	7.4
69.59010	18.6
69.59401	17.3
97.02878	13.8
98.23290	9.3
109.02877	9.6
115.68038	6.3
125.05977	16.0
127.03883	12.1
153.01836	100.0
153.05476	32.2
154.05943	13.2
171.02953	14.8
181.05045	12.2
185.08102	55.6
186.08426	11.5
187.28683	7.8
199.08665	7.7
199.35141	10.5
205.61218	6.8
300.55859	7.0
315.06979	11.1
392.89969	8.0
402.93198	7.8
405.29913	7.8
454.54404	8.1
517.17041	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	516.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52689	0.7
69.03424	2.0
69.63090	4.7
73.98223	0.8
76.51487	0.8
78.04719	2.5
79.01836	2.8
81.03421	6.6
85.02908	2.8
95.04961	1.6
97.02863	5.1
98.23266	1.7
106.04153	1.3
108.04470	1.1
109.02886	4.8
123.04411	6.9
124.05215	2.0
125.02316	1.9
127.03878	4.7
139.03867	1.1
143.03406	3.2
151.03886	1.9
153.01831	65.3
153.02895	2.3
154.02185	1.7
163.03859	1.9
167.07031	100.0
168.07402	3.4
171.02916	6.8
195.65094	0.8
205.04965	1.1
208.85759	0.8
252.79709	1.0
297.05960	5.7
315.07205	4.5
355.14371	0.9
355.18863	0.9
472.34851	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.1
55.01883	2.4
55.05510	4.5
57.03433	4.1
65.03950	5.0
67.05505	4.2
67.26720	1.7
69.03436	9.6
69.07063	2.3
69.15439	17.1
70.42807	1.6
71.04985	1.9
75.04474	8.3
79.05495	19.8
81.03414	11.6
81.07061	8.8
83.04975	3.3
85.02895	7.8
91.05476	16.9
93.03389	2.3
93.07047	81.0
95.04964	8.6
95.08632	5.6
97.02891	6.0
97.06538	2.6
105.04519	2.4
105.07040	11.1
107.04993	2.7
107.08593	11.8
109.02892	6.1
109.06565	2.6
109.10146	4.8
111.04446	14.1
111.08120	4.5
117.06977	2.6
119.08607	19.2
120.04064	1.7
121.06490	3.1
121.10146	100.0
122.10455	2.3
123.04420	18.4
123.08097	3.9
125.06009	2.5
125.09710	1.8
127.03957	4.5
131.08571	6.5
133.10133	2.4
135.08044	2.2
137.06033	2.6
137.09595	6.0
139.03894	34.9
139.11186	5.3
145.05042	2.6
145.10138	3.0
149.09625	38.8
149.22440	1.8
157.10172	2.0
163.07552	3.7
163.11131	2.9
165.09129	6.5
167.10681	16.0
168.04263	2.3
171.06522	31.4
183.06534	74.3
183.08142	4.4
195.06648	2.1
207.06541	11.9
211.83998	1.9
221.08226	2.7
237.11327	2.0
249.07677	2.4
261.07571	7.2
263.13065	2.0
279.08600	3.0
286.56619	1.8
293.13803	6.9
309.09955	1.9
309.13245	3.2
311.14960	8.8
319.15430	5.6
326.73801	1.8
427.17694	2.4
456.20050	3.3
456.27057	1.8
516.18323	13.1
516.25421	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	516.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	2.7
54.84192	2.3
55.01870	3.1
55.05511	3.7
57.03435	4.1
60.30698	2.0
61.02924	11.9
62.58392	2.5
66.23734	1.9
67.05505	6.1
69.03431	14.2
69.06429	23.4
69.07053	4.3
73.02896	2.8
79.05491	11.2
81.03418	3.3
81.07050	21.5
85.02901	43.4
91.03934	2.6
91.05458	18.2
93.07030	10.6
95.08581	15.3
97.02910	16.0
97.10178	5.9
99.08106	3.6
100.41998	2.3
102.23853	2.0
105.07028	17.0
106.00069	1.9
107.07932	2.1
107.08592	11.0
109.02905	4.5
109.06537	3.1
109.10152	20.8
111.11713	4.2
117.07014	7.6
119.08562	10.8
121.10153	10.7
123.11729	6.8
127.03939	10.8
129.06984	3.7
131.08568	15.4
133.10127	10.5
135.11690	7.0
137.09581	3.1
143.08574	6.0
145.04965	18.0
145.10098	14.0
147.11685	12.6
149.13310	5.5
151.11215	2.8
157.10149	5.6
159.11667	14.5
161.09637	2.8
161.13293	6.1
163.05956	2.5
163.14723	2.6
165.09001	2.8
173.13232	18.5
175.11101	2.5
175.14816	3.9
177.12750	4.3
180.08696	6.6
185.13266	6.8
191.14279	13.2
197.13275	2.4
199.14819	7.6
213.16310	4.0
225.16290	2.6
227.17877	3.9
239.17982	9.2
241.19624	4.7
245.22729	2.9
255.21049	64.6
273.22104	81.9
274.22403	4.0
275.09299	6.1
283.20529	13.3
285.18433	3.0
299.20032	2.2
301.21622	18.1
319.22647	64.1
320.23074	3.3
337.23679	100.0
337.27734	4.8
338.24161	7.0
463.27231	4.8
512.68451	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	516.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.9
53.42757	1.7
55.05505	3.3
57.85998	1.9
61.02924	6.1
61.98206	1.5
67.05505	6.0
69.03423	7.3
69.07064	4.2
69.64320	2.9
69.64713	9.5
76.83389	1.6
78.37130	1.7
79.05491	6.3
81.03394	2.8
81.07053	12.2
83.08624	4.8
85.02896	18.4
91.05465	7.9
93.07033	9.1
95.08600	11.5
97.02905	7.5
97.10167	5.0
97.11799	1.6
103.49014	2.0
105.07041	11.7
107.08572	8.1
109.02874	2.4
109.06496	2.2
109.10141	10.7
117.07021	6.6
119.08588	7.6
121.10160	6.1
123.11712	4.6
123.75853	1.5
127.03954	3.4
131.08559	12.2
133.10095	8.2
135.11690	5.8
137.09581	3.2
143.08565	3.3
145.04953	6.0
145.10095	10.7
147.11713	7.0
153.01807	2.0
157.10120	4.2
159.11667	10.5
161.13298	4.7
163.11206	1.9
165.09113	2.6
171.11702	2.7
173.13283	12.7
180.08727	5.3
182.93463	2.0
183.11757	2.4
185.13248	5.3
191.03391	1.7
191.14328	10.0
197.13287	2.7
199.14825	4.6
205.04846	2.3
211.14827	1.7
216.98656	1.7
227.17883	4.7
239.17955	6.2
241.19466	5.1
255.21089	21.5
255.23454	2.7
273.22098	51.2
274.22470	3.5
283.20535	8.0
285.18610	2.9
301.21741	8.0
319.22610	8.1
337.23697	100.0
338.24023	7.4
344.79041	1.7
354.26413	2.1
472.10144	1.6
473.24817	2.0
517.19824	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	516.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70335	0.5
51.37841	0.5
53.03925	0.5
55.01858	0.8
55.05495	2.1
57.03417	0.6
57.61443	0.6
61.02916	1.0
67.05503	5.5
69.03423	1.7
69.07057	2.1
69.70475	2.7
70.09247	0.5
71.04975	0.6
74.71547	0.5
79.05489	3.8
81.03405	0.8
81.07050	14.3
83.04987	0.6
83.08607	3.9
85.02898	6.6
91.03967	0.5
91.05470	4.2
93.06499	0.9
93.07034	10.8
95.04952	0.9
95.08600	24.0
96.08904	0.9
97.02896	1.6
97.06516	0.7
97.10173	1.5
100.11243	1.3
105.07021	13.6
107.08587	9.4
109.02872	0.6
109.10135	8.7
110.55822	0.5
111.04409	0.7
111.08038	0.6
113.60994	0.5
117.06993	2.6
119.08572	9.6
121.10139	8.7
123.11689	4.7
125.09588	0.9
127.03874	1.1
129.06947	0.6
131.08557	16.2
131.09561	0.9
132.08896	0.6
133.10114	12.5
135.08044	0.6
135.11671	6.3
137.05974	0.9
137.09589	1.6
137.13271	0.9
139.07545	0.8
143.08546	2.2
145.04919	1.6
145.10115	25.1
146.10446	0.8
147.11650	5.8
149.13228	7.0
157.10138	3.2
159.11681	7.1
160.12029	0.6
161.09615	0.7
161.13251	14.8
161.14627	0.8
162.13573	0.9
162.55153	0.6
163.14833	2.0
165.09106	1.4
171.11697	3.5
173.13272	4.7
175.11263	0.7
175.14799	8.3
177.12698	0.9
179.10680	2.5
179.14384	0.7
180.08640	5.0
182.15343	0.7
184.99695	0.5
185.13252	3.4
187.14819	2.1
189.16373	1.0
191.14264	1.7
199.14801	5.5
201.12666	0.8
201.16420	1.4
203.14426	0.6
213.16377	4.0
215.17859	0.8
215.29347	0.5
227.17946	9.1
243.20995	1.2
245.15338	1.1
245.19005	1.3
245.22685	0.8
255.21059	42.6
256.21423	4.1
257.22586	3.9
261.22101	0.7
265.19495	0.8
273.22104	100.0
274.22473	7.1
283.20532	4.1
284.20700	0.7
289.21600	2.7
291.23087	4.8
301.21579	25.6
302.21921	1.6
319.22623	16.8
320.23007	1.3
336.25208	1.1
337.23727	2.4
498.31058	0.7
516.18872	1.8
516.28522	2.3
517.29602	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	2.6
69.03420	4.0
71.32664	4.3
71.33071	4.0
79.05508	4.7
81.03423	5.7
81.07052	54.8
85.02908	7.1
85.96251	2.7
87.04457	28.8
91.05480	6.7
93.07048	8.2
95.08595	14.9
105.07034	34.6
107.08575	10.5
109.06594	2.9
109.10168	11.1
115.07578	3.2
117.34626	2.8
119.08590	13.6
121.10155	6.7
131.08578	4.5
133.10136	4.9
137.05933	6.3
137.13249	8.4
143.08583	6.5
145.10136	13.7
147.11700	7.2
157.10085	5.1
159.11714	10.8
161.13258	14.0
173.13307	7.5
175.14847	8.2
185.13231	3.8
188.01846	2.5
199.14850	9.7
201.05481	13.3
207.13803	7.0
213.16444	2.9
221.15384	9.5
227.17899	5.4
255.21114	48.5
261.12717	9.6
262.13010	4.3
273.22021	18.0
283.20444	4.6
301.21613	100.0
302.22156	6.2
319.22626	10.7
355.11783	3.1
499.15826	6.0
516.19037	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	516.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48100	3.1
55.01869	11.1
55.05509	49.4
57.03424	4.0
57.07073	4.0
59.05017	3.7
61.99598	2.9
67.05505	55.2
69.03413	4.3
69.07060	23.1
71.04995	9.1
79.05497	53.8
81.03405	4.7
81.07056	55.1
83.04979	12.8
83.08620	25.1
85.06554	8.9
87.04463	4.4
91.05486	40.3
93.07040	58.1
95.04984	12.8
95.08605	61.4
96.08953	6.0
97.06518	11.0
97.10167	40.0
99.04491	4.1
105.07025	37.3
107.04941	7.2
107.08586	38.8
109.06519	16.0
109.10166	34.0
111.08084	5.7
117.07018	15.7
119.08575	47.3
121.06501	9.9
121.10153	35.7
123.08054	31.4
123.11715	12.0
125.09627	39.8
129.07059	7.1
131.08577	17.8
133.06499	6.4
133.10115	21.2
135.08067	14.1
135.11713	18.1
137.06000	5.4
137.09619	28.4
138.09975	4.4
139.07491	5.1
139.11191	9.6
143.08536	7.8
145.10112	22.8
147.08047	7.5
147.11653	17.3
149.09641	11.1
149.13252	4.7
151.07494	7.2
153.09045	30.6
155.08598	4.7
157.10124	9.2
159.08095	6.6
159.11705	14.7
161.09723	5.6
161.13281	7.5
163.14809	5.8
169.10138	5.1
171.10301	4.1
171.11717	10.2
173.09599	7.8
173.13295	12.4
175.11200	9.5
175.14857	4.4
177.09163	3.7
177.12735	5.0
183.11618	5.4
187.14798	11.1
189.11188	24.7
189.12657	4.8
191.14316	7.2
193.12170	4.3
199.14885	5.2
201.11205	9.2
201.12886	5.6
205.12363	5.4
207.13829	4.5
213.16411	4.7
217.12183	4.1
231.13843	4.1
249.14905	4.8
257.18890	4.4
261.18188	4.4
271.16888	5.3
273.18335	5.9
275.20093	27.7
289.17932	10.4
291.19547	4.5
293.21149	31.7
295.22556	4.1
307.18942	4.3
311.22119	9.8
331.18784	3.8
399.28165	4.2
409.27332	8.9
427.28406	33.8
428.28662	4.7
445.29471	100.0
446.29819	8.9
453.29965	11.6
463.30579	91.1
464.30923	9.9
481.31827	27.8
499.30215	15.1
516.20087	18.5
516.31085	9.8
516.38226	20.9
517.27399	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.0127
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84747	0.8
52.90112	0.8
67.99513	0.9
69.59667	4.8
75.54480	0.8
113.56725	0.8
168.27338	0.8
174.89627	100.0
175.11841	1.8
372.39536	0.8
381.08038	7.5
420.48758	0.8
517.11963	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60502	0.6
55.01859	0.7
57.03422	1.0
59.43126	0.5
61.02913	1.6
62.46889	0.5
69.03432	3.7
69.30759	2.0
69.31175	1.9
72.12290	0.5
73.02888	0.8
79.62925	0.5
81.03390	2.2
85.02895	6.4
91.05453	1.2
97.02872	2.0
99.04420	0.5
109.02858	1.6
119.04918	1.6
123.04458	1.1
127.03914	1.6
137.06006	0.6
145.04997	0.7
147.04398	8.7
149.05942	1.0
151.03880	0.8
153.01927	0.7
161.05962	1.5
163.03899	2.2
165.05502	2.7
167.07027	1.3
170.26743	0.6
177.05467	1.8
178.06201	1.3
181.04918	1.1
189.05458	7.4
192.04175	0.8
193.04977	4.3
203.07025	4.3
205.04956	67.5
206.05704	18.7
207.06349	1.6
213.05441	0.9
217.04951	16.4
217.08469	2.1
218.05119	1.0
219.06493	3.0
219.72508	0.5
227.07014	1.6
229.04929	2.2
230.05705	1.8
231.03020	0.8
231.06509	13.4
233.04416	2.1
235.05992	100.0
236.06282	4.3
243.02850	1.2
243.06526	1.4
245.04355	0.8
245.08105	12.5
247.05920	1.3
255.06502	1.8
259.06000	27.0
260.06360	0.9
261.04001	1.1
265.07013	1.0
271.06006	5.9
273.07584	3.7
277.07114	0.6
283.05963	6.0
289.07043	19.5
289.10266	1.2
290.07312	1.5
301.07031	12.1
302.07181	0.7
319.08118	16.9
320.08246	0.9
337.09131	26.4
338.09259	1.0
355.10193	10.6
356.10300	0.9
396.95618	0.6
499.14490	1.1
517.15350	20.9
518.16425	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.7
57.03432	0.8
61.02924	0.7
67.01884	0.6
69.03423	2.5
69.41621	2.8
79.01875	0.7
81.03379	1.2
85.02900	5.4
88.19756	0.5
91.36228	0.5
97.02888	2.2
98.23286	1.2
100.10958	0.5
103.03931	0.6
109.02905	0.9
111.94730	0.5
112.54935	0.6
121.02857	0.7
127.03904	1.3
128.30937	0.5
137.06013	0.9
145.05013	0.7
149.05949	0.8
151.03954	0.9
161.05963	1.6
165.05472	1.3
167.03360	0.9
177.05441	1.5
178.06274	1.0
181.04956	0.9
189.05478	10.3
192.04108	1.3
193.04979	5.9
203.07047	5.0
205.04964	86.3
206.05682	16.3
207.06401	1.3
213.05489	0.7
215.07048	0.7
217.04974	16.3
217.08533	1.8
218.05249	1.0
219.06487	5.7
227.06979	2.3
229.04990	2.9
230.05658	1.9
231.03030	1.1
231.06525	18.3
232.06834	0.8
233.04463	2.6
235.06006	100.0
236.06290	3.8
243.02899	2.3
243.06546	1.7
245.04434	1.0
245.05412	0.8
245.08098	14.8
246.08411	0.6
247.05980	1.6
249.07777	0.7
255.06499	2.7
257.04697	0.6
259.06033	37.5
260.06421	1.9
261.03918	1.0
265.07156	1.1
271.05978	6.6
273.07584	4.0
277.06973	1.0
283.05978	8.0
289.07056	26.9
290.07397	1.5
297.82721	0.6
301.07059	17.0
302.07397	0.9
319.08087	18.7
320.08279	0.8
337.09167	27.9
338.09335	1.6
355.10233	53.1
356.10602	3.5
365.68741	0.6
397.11282	0.7
462.51205	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.3
65.03935	0.3
67.05512	0.8
67.06454	0.4
69.10299	3.1
71.04977	0.5
79.05486	1.1
81.03416	0.8
81.07063	0.5
85.02906	0.7
88.29420	0.3
89.07814	0.3
91.05483	0.8
93.07035	1.5
95.04964	0.4
103.05429	0.3
105.07028	1.1
107.08565	0.7
108.02087	0.4
117.06993	0.4
119.08571	1.1
121.10113	1.7
125.05925	0.6
130.07761	0.5
131.08534	1.1
132.04471	1.6
141.05518	0.3
145.10100	2.8
151.03906	13.7
151.04980	0.8
153.01807	2.7
157.06087	0.8
163.11177	2.3
167.06978	0.4
169.05049	0.6
178.04979	9.8
185.09439	0.9
191.10686	0.9
203.10464	1.1
206.02498	0.7
206.04465	13.8
295.08197	0.7
313.09201	0.5
347.11911	0.4
353.04846	0.9
355.06235	3.9
517.16760	100.0
518.17200	7.8
518.24756	0.3
543.60706	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65870	0.3
55.05476	0.7
59.50267	0.4
67.05473	0.7
69.07034	0.4
79.05444	0.7
81.07019	0.8
91.05472	0.5
93.06985	0.9
95.04898	0.5
95.08567	1.0
97.06476	0.5
98.22507	0.8
105.06986	0.8
106.21146	0.4
106.21769	0.4
107.08533	1.1
109.10152	0.8
111.08036	0.3
119.08520	1.1
121.06464	0.4
121.10080	0.9
123.08047	0.5
131.08545	0.6
133.10114	0.7
134.61972	0.3
143.08559	0.4
145.10098	0.6
147.11635	0.5
159.07979	0.4
161.13211	0.4
167.07098	0.3
168.09329	0.3
171.11646	0.4
173.13283	0.4
181.83437	0.4
185.04234	0.5
191.10713	0.4
210.50749	0.3
229.01215	0.3
229.03249	0.4
247.17265	0.4
261.22214	0.3
355.18768	61.2
356.19080	4.4
373.19882	0.5
396.21454	1.0
481.29828	0.5
499.30524	1.0
516.37610	0.6
517.24066	100.0
517.37726	2.8
518.24359	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	517.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
55.05510	2.0
57.07078	3.5
59.05016	1.2
67.05499	4.8
69.03437	1.6
69.07076	3.3
71.04993	7.3
71.30837	1.7
79.05492	4.2
81.03405	1.4
81.07056	4.9
83.01340	2.4
83.04965	1.1
83.08614	1.5
85.06552	3.0
91.05483	3.6
93.07044	4.6
95.04984	4.1
95.08612	4.9
97.06532	3.3
98.00877	1.0
101.31878	1.0
105.07050	3.0
107.08619	2.6
109.06496	8.4
109.10177	1.3
110.34433	1.0
111.08098	2.3
113.06008	13.5
119.04908	1.1
119.08577	2.9
121.10122	2.6
123.08097	3.2
123.11713	1.9
124.01422	0.9
125.09602	1.4
125.19725	1.2
131.08620	1.0
133.10130	2.0
135.11722	2.7
137.05974	11.1
137.09633	4.1
139.11182	4.2
141.05469	9.9
147.08073	2.2
149.09695	1.9
151.07536	3.4
151.14973	1.3
153.05420	1.6
155.07048	2.1
165.09114	14.5
167.10750	3.2
169.08582	1.4
172.75764	1.2
173.13185	1.4
175.07489	7.4
178.06230	2.2
179.07057	6.7
189.09132	1.0
191.07077	2.2
192.07846	1.4
193.08598	48.5
194.08965	1.4
195.10156	1.4
197.08051	9.8
197.09428	1.1
205.08617	3.1
205.12141	1.1
209.15376	2.1
211.09650	100.0
212.10046	3.8
221.11780	1.3
221.15378	1.1
228.64214	1.1
235.13126	1.6
237.14886	8.8
245.11676	2.4
247.13307	2.3
249.14944	1.9
251.12723	2.3
263.12781	5.3
265.14377	4.3
267.12204	2.8
281.13794	7.4
299.16483	1.4
317.17529	2.5
415.21008	2.6
429.22736	25.6
430.23300	1.9
433.22397	1.5
447.23669	6.8
457.25970	1.2
481.26132	2.9
499.26898	25.0
500.27231	3.0
517.27289	4.4
517.38696	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	517.3162
Annotation	CHEBI:88298
Peak:m/z	Relative Intensity
53.03946	1.7
55.01878	2.1
55.05510	7.2
57.03457	1.0
57.07074	1.7
67.05509	10.8
69.03440	1.6
69.07079	7.4
70.08644	1.1
71.04993	1.5
71.32192	1.6
73.06513	0.9
73.91459	0.9
79.05483	8.6
81.03436	0.9
81.07053	11.9
82.09096	1.1
83.04978	2.9
83.08610	4.4
84.31358	1.2
85.06537	2.4
88.14930	1.0
91.05486	7.8
93.07042	14.2
95.04974	5.3
95.08600	16.3
96.08925	1.1
97.06537	3.4
97.10159	4.5
98.10357	1.2
99.10832	1.1
105.07030	13.1
107.04978	1.0
107.08588	16.6
109.06512	3.8
109.10159	8.4
111.08092	2.5
117.07029	3.3
119.08579	16.1
119.26096	1.1
121.06494	3.8
121.10149	14.5
123.08057	4.1
123.11663	2.6
125.06004	1.3
125.09634	5.3
128.06256	1.3
129.07008	2.8
131.08554	6.5
133.06476	3.2
133.10114	9.2
135.08047	6.3
135.11702	9.4
137.06027	2.3
137.09641	3.8
137.13269	1.5
139.07521	1.8
141.06964	1.2
142.07710	1.4
143.08557	3.5
145.06483	2.4
145.10120	9.1
147.08067	3.0
147.11710	5.8
149.09621	4.9
149.13245	5.3
151.11235	1.2
153.09125	2.0
155.08603	1.5
155.10609	1.3
156.09306	1.7
157.10106	4.4
159.08044	3.3
159.11652	6.2
161.09604	4.6
161.13251	3.3
163.07545	2.9
163.11198	1.5
163.14819	2.7
165.09177	1.5
165.12654	1.0
169.10115	2.5
171.11676	4.8
173.09624	2.6
173.13307	5.3
175.11188	5.0
175.14812	6.1
177.09044	1.7
177.12732	3.0
177.16399	1.1
179.14403	1.3
181.12227	2.4
183.11691	2.7
185.13234	2.8
187.07669	1.4
187.11227	1.7
187.14818	6.3
189.11227	2.6
189.12727	1.6
189.16400	4.3
191.14319	2.9
193.12219	1.3
195.11790	1.3
195.13693	1.3
197.13210	3.0
199.11209	2.4
199.14841	3.8
201.12755	3.1
201.16431	2.1
203.10762	2.0
203.14307	1.9
207.13815	1.8
209.13280	1.9
213.12805	3.2
213.16443	2.5
215.14345	4.4
217.12268	2.1
217.15887	2.3
219.13840	3.1
225.12854	1.4
227.14317	2.1
227.17912	3.0
229.12360	1.5
229.15872	1.4
231.17343	1.8
241.15826	1.2
243.17412	1.4
253.12198	2.1
257.15384	1.4
269.15414	1.1
271.16898	1.8
273.81866	1.3
275.20169	2.4
285.18716	1.9
293.21317	1.7
309.21906	1.5
323.23395	1.5
329.17490	1.5
345.21121	1.3
365.28577	2.2
369.23999	1.5
370.24826	2.3
383.25378	1.5
393.27985	2.3
407.29495	6.2
411.28885	4.2
435.29025	3.6
445.29544	3.6
447.26978	1.4
453.30005	29.5
454.30328	3.2
455.32019	1.5
457.29843	2.0
463.29132	1.4
471.31122	5.1
481.29712	2.4
499.30533	100.0
500.30884	9.5
506.68765	1.3
517.26556	11.0
517.38312	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	517.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.6
55.01885	17.5
55.05261	5.7
55.05513	87.6
57.03432	7.5
65.03952	5.2
66.12659	3.3
67.04105	3.3
67.05164	6.3
67.05505	100.0
69.03419	14.8
69.07069	51.2
71.04990	16.4
77.73190	3.4
79.05054	4.7
79.05499	75.4
81.03414	16.6
81.07057	82.5
83.04976	19.3
83.08617	67.6
85.06544	14.4
87.04473	3.7
91.05481	74.1
93.07037	80.2
93.07607	5.4
95.04971	31.6
95.08603	60.4
97.06539	13.8
97.09600	5.4
97.10175	71.9
97.10786	3.2
99.08072	7.7
105.07033	47.7
107.04959	11.0
107.08595	75.9
109.06509	14.6
109.10151	63.3
111.08090	45.1
115.05460	3.9
115.07582	9.9
117.07007	24.0
119.08579	58.4
121.06510	10.4
121.10148	51.5
123.04423	4.8
123.08063	16.0
123.11701	11.2
125.09635	85.6
126.09989	5.4
126.40804	3.7
129.07010	9.1
129.09105	8.6
129.35085	3.8
131.01646	3.5
131.08562	33.0
133.06480	6.9
133.10139	43.0
135.08076	34.3
135.11685	19.9
137.05981	5.2
137.09601	16.8
139.07544	4.2
139.11198	14.8
143.08556	11.7
145.10124	36.6
147.08035	6.6
147.11693	22.8
148.08830	3.5
149.02338	19.7
149.03387	4.8
149.05957	5.4
149.09625	17.9
149.13255	9.2
151.07553	9.3
151.11159	5.4
153.09068	18.9
156.09294	3.9
157.10094	17.4
159.07967	4.5
159.11722	19.4
161.09668	10.9
161.13258	21.9
163.07506	4.8
163.11172	18.6
163.14822	7.1
165.09169	4.1
165.12828	4.6
169.10100	5.2
171.10240	6.1
171.11716	15.3
173.09666	5.6
173.11888	4.1
173.13290	18.1
175.11140	5.0
175.14810	9.9
177.12741	7.2
183.11687	11.6
183.13680	5.4
185.09697	4.0
185.11734	6.5
185.13281	9.3
187.11128	4.5
187.14772	8.7
189.09357	5.7
189.11205	60.2
189.12753	8.4
189.16403	8.9
193.12277	10.5
197.13306	6.5
199.11206	5.7
201.12762	10.5
203.10788	5.7
203.12738	9.1
203.14468	4.9
205.12170	7.3
207.13887	4.6
211.13255	12.4
211.14993	5.1
219.13733	5.0
223.13219	4.6
229.12193	4.1
239.18034	6.8
255.17557	4.4
257.18973	15.6
261.18509	8.0
273.18640	6.3
275.20068	75.8
276.20419	5.7
279.19177	4.1
289.17911	8.6
293.21094	56.1
299.18512	10.5
307.19000	16.1
311.22336	11.2
337.19891	4.5
375.73062	3.8
409.27014	6.8
427.28372	42.7
429.11774	6.0
435.28690	10.7
445.29434	97.4
446.29651	12.9
453.29749	11.9
463.30560	45.5
471.31158	8.5
481.29578	7.9
483.30661	4.2
499.30396	22.3
517.30414	14.0
517.38678	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	517.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.2
55.01870	8.7
55.05249	4.6
55.05511	82.5
57.03421	4.3
57.07074	5.8
59.05008	4.7
60.13783	2.6
66.98698	2.3
67.05501	75.5
69.03437	7.2
69.07068	39.1
69.10110	22.1
71.04993	4.1
78.94288	2.9
79.05483	59.2
81.07053	100.0
83.04971	5.4
83.08617	53.3
85.06551	8.4
91.05474	26.7
91.24714	2.2
91.55170	2.9
93.07037	53.9
95.04977	4.2
95.08603	80.7
97.06545	7.9
97.10162	81.6
101.06031	3.2
105.07033	19.2
105.21338	2.8
107.08596	63.5
109.06529	3.3
109.10146	43.3
111.08091	7.4
111.11732	2.5
114.84552	2.8
117.07003	10.3
119.08562	21.8
121.06431	4.5
121.10143	32.6
123.08060	5.6
123.11711	12.3
125.09624	96.6
126.09935	3.0
129.07036	3.6
131.08566	16.9
133.10120	19.2
135.08041	22.8
135.11696	22.0
137.09583	5.8
137.13298	6.4
139.11180	6.1
143.08543	2.8
145.10114	16.0
147.11673	13.9
149.09607	6.4
149.13225	13.2
151.11192	4.0
151.14795	2.9
153.09103	36.4
157.10143	5.8
157.12239	7.4
159.11671	13.7
161.13228	12.3
163.11163	3.4
163.14828	3.9
165.12784	3.0
167.10669	3.0
169.10092	3.1
171.10252	4.9
171.11670	5.6
173.09593	2.9
173.11771	6.0
173.13260	9.5
174.34656	2.5
175.14804	4.9
177.12714	4.1
179.14246	3.3
181.12270	3.6
185.13251	6.7
187.14828	8.7
189.11234	34.1
189.16422	3.6
197.13362	3.4
203.12766	79.4
203.14586	6.0
204.13129	3.4
243.21072	7.9
261.22131	15.0
275.20267	5.1
279.20081	3.5
279.23181	57.1
293.21014	3.4
297.24234	35.8
297.67703	3.2
311.22174	4.2
311.25769	3.5
318.36774	3.1
385.31046	3.3
395.29349	11.0
403.32092	5.4
413.30481	18.8
431.31561	71.7
432.31671	6.1
437.30200	3.5
441.09521	2.6
445.33014	6.1
449.32486	31.3
463.34122	17.5
481.34830	9.4
517.30731	13.9
517.38049	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	517.3886
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
51.02376	0.7
53.03937	2.5
55.01858	2.3
55.05509	19.5
57.03433	6.0
57.07070	3.2
59.05009	0.7
65.03941	1.4
67.05501	42.0
68.05843	1.0
69.03444	0.6
69.07066	20.6
69.64336	2.6
71.04990	2.5
71.08643	1.0
79.05487	29.3
79.24667	0.6
79.76815	0.6
81.03431	0.9
81.07051	49.1
82.07377	1.4
83.04968	2.3
83.08615	10.3
85.06519	2.6
91.05475	25.5
93.07040	37.6
94.07381	1.2
95.04974	2.9
95.08601	37.8
95.97053	0.6
96.08955	1.3
97.06532	4.0
97.10163	5.5
99.08086	1.6
103.05475	1.2
105.04508	1.0
105.07027	29.8
107.04952	1.1
107.08587	24.9
109.06509	2.2
109.10149	17.4
111.08078	2.7
113.09601	0.6
115.05460	1.3
117.07007	10.6
119.08577	31.5
120.08943	0.6
121.06543	1.2
121.10136	20.3
123.08070	1.6
123.11683	5.4
125.09626	2.3
129.06982	5.6
130.07768	0.9
131.08559	23.0
132.08876	1.0
133.10124	22.1
135.08034	1.1
135.11676	13.6
136.12029	0.7
137.09601	1.3
137.13274	1.7
139.11176	1.5
141.07019	1.6
141.08989	0.6
142.07756	1.2
143.08542	8.3
144.09236	0.7
145.10118	20.9
147.11674	16.9
148.12057	0.6
149.09642	1.9
149.13242	8.0
151.11192	0.7
152.76273	0.5
155.08517	3.2
157.10118	8.1
159.11687	15.2
160.12032	0.8
161.13237	9.4
163.11192	1.5
163.14818	3.9
165.12755	1.1
167.08577	0.7
169.10152	3.5
171.11688	8.1
173.13251	11.1
174.13730	0.6
175.11235	0.7
175.14798	5.2
177.12732	0.9
177.16357	1.6
179.14323	0.8
181.10089	1.1
183.11670	3.7
185.11697	0.9
185.13248	6.5
187.14798	6.7
189.12775	1.3
189.16444	2.9
191.07025	0.6
191.14316	1.2
191.18036	0.7
193.16055	0.6
195.11752	1.0
195.13853	0.7
196.12326	0.7
197.13286	2.4
199.13234	1.0
199.14780	3.8
201.16364	3.3
203.14325	0.7
203.18031	1.4
205.15984	0.8
209.15382	0.7
211.14813	2.7
213.14627	1.4
213.16551	2.8
215.18008	1.5
217.15906	0.8
217.19469	0.7
219.17453	1.7
221.15268	0.7
221.18893	0.6
225.16441	1.4
227.18100	1.4
229.19429	1.0
231.17380	1.1
233.18950	1.2
239.16176	0.9
239.18245	0.9
241.17583	3.5
241.20004	0.9
243.17390	0.8
245.19075	1.6
252.97537	0.6
255.21303	0.9
257.18961	0.8
259.20651	5.3
261.22079	0.8
263.20175	0.7
265.18005	0.7
273.22202	2.4
275.20160	0.8
277.21671	1.2
279.19507	0.7
283.23853	0.7
285.22180	2.5
287.23663	1.7
291.23190	0.6
299.23804	1.9
301.21890	0.7
301.25232	1.8
303.02112	0.6
303.23230	1.6
305.21359	0.6
305.24918	0.7
311.23581	0.8
313.25253	2.5
315.23380	1.4
315.26819	0.8
317.24777	1.7
325.25400	0.9
327.26892	1.1
329.24689	1.4
329.28369	0.6
331.26218	0.9
333.24316	2.4
335.25861	1.0
339.26865	0.7
341.28516	0.7
343.26358	0.9
345.27948	0.7
347.25955	0.8
355.26163	0.7
361.27460	1.1
365.27026	0.5
369.28372	0.7
391.28506	1.6
405.30212	1.6
407.28320	1.1
407.33017	4.8
425.34103	16.0
426.34509	1.9
443.35242	8.8
444.35440	0.7
447.31311	0.8
461.36176	1.0
475.33786	0.7
481.36850	1.9
499.26675	0.9
499.37787	20.4
500.38126	1.5
517.38879	100.0
518.39160	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	518.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.4
63.83685	0.4
63.88466	0.3
65.03934	0.8
69.03419	0.6
70.06586	0.9
70.51047	0.3
70.72024	0.8
70.72372	0.4
81.08353	0.4
83.04983	0.4
85.02899	1.6
91.05471	7.8
95.04971	0.4
97.02863	0.7
99.91671	0.3
105.11906	0.4
107.04937	0.4
119.04941	17.7
120.05308	0.4
123.04434	0.6
127.03896	0.6
145.04939	0.6
145.28168	0.4
147.04405	100.0
148.04723	3.0
153.01831	0.6
154.08615	0.6
163.04010	0.3
167.07060	0.4
169.92506	0.3
184.80368	0.3
196.13336	5.9
205.04982	1.6
206.05360	1.6
215.40155	0.3
235.06013	1.8
236.06226	1.9
259.05969	0.5
260.06406	0.8
320.08408	0.5
338.09631	0.4
339.10934	0.6
356.10281	0.6
497.15506	0.4
518.22235	0.6
519.20459	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	5.3
55.01870	1.0
57.03441	1.8
61.02925	2.4
66.91670	0.8
67.05495	1.0
69.03429	16.0
69.65044	3.7
69.65453	1.6
71.04990	4.6
71.97387	1.0
73.02916	4.0
74.99131	1.0
75.86029	1.0
79.05487	2.1
81.03413	18.3
83.04988	1.6
85.02904	67.4
91.03944	1.7
91.05492	3.5
95.08602	1.2
97.02886	41.6
99.04453	49.3
100.04813	1.5
103.03940	76.1
105.07026	3.9
107.04966	12.1
108.04475	3.0
109.02872	24.1
115.03951	3.4
115.05443	1.9
117.07038	1.5
118.32977	1.0
119.04946	1.0
119.08593	1.4
123.04492	1.2
126.05539	1.2
127.03909	100.0
128.04266	2.3
128.16992	1.0
131.08566	1.3
135.08041	5.4
137.05977	8.7
145.04964	49.8
146.05267	1.2
147.08000	1.6
149.06003	1.1
151.40303	1.0
159.08115	2.9
161.05965	1.9
163.06013	26.9
163.07536	13.2
167.07037	4.3
169.04962	2.5
173.09654	1.1
175.06056	1.5
175.07539	3.4
177.63956	1.0
187.05984	4.4
187.07556	3.1
189.09082	1.6
195.10167	26.3
199.05934	1.6
201.09134	1.1
205.06950	2.2
205.08710	8.4
207.10123	12.8
219.10188	5.9
225.09067	1.4
231.10191	1.4
233.07965	1.2
235.07480	1.1
237.11229	2.2
261.11288	1.8
271.07944	6.1
275.12762	1.4
285.11194	3.9
289.09174	3.6
303.12341	4.1
307.10150	1.7
328.85324	1.0
364.08911	1.5
382.10083	1.3
501.31961	2.0
518.30341	1.7
519.21844	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	518.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.6
55.01864	3.6
55.05511	5.2
57.03429	4.5
59.15447	2.1
61.02916	3.7
65.13129	2.0
67.05476	6.0
69.03423	16.9
69.07059	4.8
70.06599	2.8
70.94903	4.1
70.95239	2.6
71.04981	4.4
73.02903	6.4
79.05473	10.4
81.03412	23.1
81.07050	15.9
85.02902	67.3
85.06517	2.3
89.06003	3.1
91.04005	2.4
91.05460	13.4
93.07034	17.1
95.08604	20.4
97.02898	34.6
99.04444	42.3
103.03934	68.2
103.05469	4.8
105.07035	19.2
107.04943	4.6
107.08595	14.5
108.04462	3.0
109.02887	23.0
109.06507	2.7
109.10145	12.1
117.07011	3.7
119.04906	2.0
119.08556	13.4
121.06516	4.9
121.10156	9.9
127.03903	100.0
129.06944	3.4
131.08534	14.2
133.06462	6.5
133.10112	9.5
135.08037	4.4
135.11674	11.3
137.05952	10.5
143.08557	4.9
145.04955	60.7
145.06323	3.1
145.10103	9.5
147.07983	3.3
147.11685	6.5
149.05974	4.7
149.09604	7.8
149.13245	3.4
154.06268	4.2
157.10185	5.7
159.08095	3.9
159.11713	8.4
161.09647	6.6
161.13287	4.2
163.06013	27.0
163.07507	8.5
163.11188	4.8
165.09096	2.9
167.07060	2.7
169.10214	4.8
171.11734	4.2
173.13275	2.9
175.07523	3.8
175.11172	3.8
177.09126	9.2
177.12704	3.2
179.07066	3.4
187.06102	4.7
187.07553	3.6
187.11102	4.5
189.09050	4.7
191.06967	2.1
195.10143	20.6
197.13295	4.4
201.09053	2.8
201.16373	2.8
207.10149	5.6
211.14883	3.3
229.19482	4.2
233.11699	32.2
239.17940	10.4
241.19612	3.7
257.19019	15.3
267.17395	3.7
271.08087	7.8
285.18457	24.3
289.09219	3.4
303.19516	45.6
304.20001	2.6
307.10010	3.1
339.24396	2.7
402.23630	2.0
449.47549	2.6
518.21185	5.7
519.19373	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.3
55.05524	2.3
57.03215	2.0
57.03436	20.6
59.05001	4.3
61.02919	4.0
64.61522	1.8
67.05487	2.6
69.03069	3.5
69.03429	55.5
69.07055	3.3
71.04994	5.9
71.32329	4.5
73.02902	9.1
73.03259	2.2
79.05497	30.9
81.03413	9.8
81.07049	12.1
83.04967	3.2
83.08613	1.9
85.02904	77.9
85.03419	4.7
85.06540	33.3
87.04471	30.0
91.03953	4.0
91.05492	6.1
93.07036	8.8
93.29004	2.3
95.04974	8.8
95.08598	8.4
95.33340	2.4
97.02896	58.4
97.06506	2.0
99.04430	3.9
105.03390	27.1
105.07021	5.7
107.04987	2.2
107.08575	6.6
109.02901	4.9
109.06538	4.8
115.03924	57.2
116.17442	1.8
116.52689	2.0
119.08548	3.6
121.06507	3.0
121.10119	4.7
123.04428	100.0
123.08010	2.8
123.11695	2.4
127.03925	22.5
131.08612	2.8
133.04971	48.6
133.10127	2.6
135.08026	3.2
137.06010	2.1
145.04950	34.2
145.10077	2.3
149.09607	3.6
150.07613	4.9
151.03893	3.2
151.07565	3.5
151.11186	4.4
159.11588	3.4
163.06075	15.5
163.11075	2.4
169.04922	2.5
169.08643	2.7
181.08652	4.5
189.09093	6.3
196.17935	2.1
199.09673	8.1
227.12857	2.9
229.10506	4.9
236.03795	3.8
285.09622	4.2
300.10577	2.0
369.33466	2.2
446.35934	2.2
493.12817	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	518.296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	10.8
53.23524	3.9
55.05500	6.3
57.03431	6.5
63.24635	4.0
67.05510	9.0
68.27333	4.3
69.03421	12.1
71.04998	6.6
73.12627	3.8
79.05492	15.8
81.03402	19.7
81.07052	28.1
81.32262	3.7
83.08600	4.1
85.02896	72.1
91.05443	21.4
93.07040	36.3
95.08604	41.5
97.02891	40.4
99.04467	31.2
103.03931	71.7
105.07023	35.4
107.04945	10.3
107.08585	25.8
108.44194	3.5
109.02246	4.3
109.02872	22.4
109.06503	4.4
109.10160	19.4
117.07039	7.6
119.08592	32.7
121.06521	8.2
121.10135	13.8
127.03906	100.0
128.04173	5.6
128.06213	4.3
129.06949	7.4
131.08530	20.9
133.06473	10.4
133.10126	17.5
135.08060	6.3
135.11673	23.6
137.05952	15.7
139.03876	4.0
143.08554	14.1
145.04968	61.4
145.06157	6.9
145.10127	21.7
147.08020	9.6
147.11668	10.5
149.05972	12.4
149.09607	9.3
149.13257	9.9
151.07497	7.1
154.06276	5.7
155.08508	4.2
157.10114	8.4
159.08052	11.7
159.11697	14.1
161.09637	8.3
163.06012	34.0
163.07451	10.1
163.11252	7.9
169.10159	9.5
171.11731	5.7
173.13245	5.3
175.11211	4.5
177.09134	14.6
177.12784	5.6
179.07036	4.4
179.10739	5.0
183.06459	6.6
183.11580	6.9
185.13196	8.3
187.06073	5.3
187.11206	8.5
195.10146	29.8
197.13181	7.5
199.14871	5.3
207.10120	10.8
211.14859	8.4
215.10681	4.4
215.14406	4.4
221.11711	8.3
223.13219	5.6
229.19479	12.6
232.25624	4.0
233.11705	66.3
234.12096	5.9
239.17903	20.2
241.19455	6.4
257.18945	31.8
259.20706	5.4
267.17429	10.0
271.08246	5.5
275.20035	9.3
285.18472	47.6
303.04507	3.7
303.19507	95.3
304.19824	11.0
410.16458	4.6
518.20612	36.5
519.33014	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	518.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.2
56.05037	0.8
57.03429	0.2
58.06628	0.4
59.07389	0.2
60.08162	6.7
67.05499	0.5
69.07066	0.3
69.55423	0.2
69.55827	0.5
70.06582	0.2
71.07372	3.5
79.05496	0.4
80.97404	0.1
81.07058	0.4
86.09705	34.0
87.10030	0.5
91.05480	0.3
93.07027	0.5
95.08599	0.5
98.22628	0.2
98.98462	4.2
100.31258	0.1
104.10738	3.4
105.07040	0.1
107.08602	0.1
109.10190	0.2
117.09106	0.1
119.08555	0.1
121.10143	0.1
124.99998	23.0
126.00377	0.2
131.08609	0.1
135.11748	0.1
138.45941	0.1
143.01094	0.2
179.08894	0.1
184.07335	100.0
185.07697	1.4
187.14879	0.1
258.10953	0.2
335.25742	0.1
349.20496	0.1
437.30695	0.1
500.31473	0.7
518.32367	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39581	0.2
55.05506	0.9
55.34996	0.2
55.72074	0.2
56.05030	1.5
57.03427	0.3
58.06577	1.4
59.07394	0.3
60.08162	16.7
63.16481	0.3
65.42640	0.3
66.45465	0.2
66.73239	0.2
67.05500	2.7
69.07053	0.8
69.17132	1.0
69.17556	1.2
70.06590	0.4
70.43555	0.3
71.07014	0.5
71.07378	7.0
79.05488	2.0
81.07054	2.0
83.08648	0.3
86.09702	50.4
87.10020	0.6
91.05470	1.0
93.07056	1.9
95.08569	1.7
97.10174	0.3
98.98463	4.7
104.10738	90.9
105.07028	0.7
105.11062	1.1
107.08607	1.0
109.10187	0.7
119.08573	0.6
121.10151	0.9
123.11704	0.4
124.99996	28.9
131.08536	0.3
135.11591	0.4
137.48904	0.2
163.01521	0.5
163.28453	0.3
175.14902	0.3
176.02907	0.3
184.07335	100.0
185.07677	1.3
187.14844	0.2
257.93973	0.3
258.11035	1.3
335.25815	0.9
439.05362	0.3
441.24060	0.3
500.31348	6.7
501.31497	0.7
518.32397	18.8
519.33069	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74234	1.2
54.13081	1.1
55.05511	4.0
61.50239	1.1
67.05505	9.7
69.07060	6.6
71.32215	2.2
79.05485	8.8
81.07065	24.3
83.04989	2.0
83.08630	2.8
85.06555	2.3
86.30199	1.1
91.05463	6.0
93.07040	9.6
95.04974	2.4
95.08606	13.1
96.08914	1.3
97.06541	1.8
97.10170	2.0
105.07015	10.5
107.04940	2.5
107.08594	10.8
109.06516	2.3
109.10128	7.2
110.95918	1.3
115.07607	1.4
119.08591	13.5
121.06516	1.9
121.10148	9.6
123.08070	2.1
123.11696	2.0
125.09644	2.7
129.06984	1.7
131.08566	6.5
133.10133	7.3
135.08049	2.6
135.11694	6.6
137.06114	1.4
137.09589	2.6
139.07555	1.7
143.08574	2.6
145.10143	6.7
147.11690	4.7
148.12103	1.4
149.05939	1.4
149.13278	3.3
151.07524	1.8
155.08582	2.0
157.10114	7.6
159.11728	3.2
161.09633	1.8
161.13268	2.7
163.11154	1.9
163.14833	3.3
171.11710	3.2
173.13298	5.4
175.11185	2.0
175.14867	4.7
177.05522	2.9
177.09044	1.8
177.12888	1.4
183.11751	2.8
185.13260	2.9
187.11165	2.0
187.14842	3.4
189.16411	3.3
197.13257	2.1
199.11188	1.8
199.14810	1.5
201.12732	2.6
203.10686	10.5
203.14368	2.2
205.08366	1.3
206.09390	1.5
209.13371	1.5
210.85545	1.2
213.16368	1.5
215.14240	1.4
217.12338	1.8
219.13699	1.1
225.12625	1.3
227.14456	1.4
233.08084	23.4
234.08897	9.3
237.16553	1.4
243.17572	2.2
245.08156	3.2
247.09677	5.6
247.13489	1.5
249.18491	3.1
258.08893	1.6
259.06046	1.6
259.09549	1.6
261.07364	1.8
263.09155	32.7
273.08096	1.3
273.11234	6.8
287.09106	9.9
293.10184	1.2
301.10626	1.6
313.18042	1.4
313.43588	1.2
317.10074	7.5
329.10095	3.2
347.11218	10.1
365.12302	15.0
375.26675	1.8
383.13385	38.4
393.27972	3.0
419.29489	2.5
421.27469	3.9
435.29181	1.7
437.30524	7.3
439.28384	43.9
440.28796	3.5
455.31253	3.9
465.29984	4.5
483.31073	100.0
484.31421	11.5
501.32117	3.3
519.29657	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	518.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	5.6
57.03434	0.9
58.06596	1.7
59.07397	0.8
59.88908	0.7
60.07867	1.3
60.08159	20.0
65.03941	1.2
67.05498	7.5
69.03426	1.1
69.07055	3.4
71.07377	6.9
71.33828	1.1
79.05485	5.3
81.07043	7.0
82.74358	0.7
83.08607	2.2
85.06518	1.2
86.09702	51.6
87.10047	0.8
91.05495	4.4
93.07017	5.5
95.04951	1.0
95.08588	8.7
97.10164	3.7
98.98476	4.5
103.72742	0.8
104.10736	93.8
105.07025	3.9
105.11076	2.2
107.08576	5.4
109.06499	1.0
109.10139	4.4
111.08168	0.7
117.07003	0.9
119.08568	3.5
121.10120	6.0
123.08058	1.7
123.11722	1.4
124.99997	29.6
125.05987	0.9
125.09626	3.7
131.08575	2.2
133.10152	3.7
135.08083	1.5
135.11670	3.0
137.09636	1.8
139.11171	1.3
143.08510	1.2
145.10100	2.3
147.04443	0.9
147.08037	1.5
147.11661	1.7
149.09575	1.1
153.09048	1.7
157.10098	1.3
159.11745	1.5
161.13277	1.8
163.14864	1.2
166.87199	0.9
171.11703	1.6
173.13245	1.8
175.14815	1.8
184.07330	100.0
185.07774	1.2
187.14775	1.9
189.11211	3.1
189.16391	1.3
197.13243	0.9
203.14322	0.9
277.21646	3.8
295.22644	5.9
419.28922	0.9
427.35928	1.1
429.30066	1.9
437.30167	1.9
447.31061	5.1
455.31351	2.3
465.32245	3.9
483.30759	2.7
500.31113	7.7
501.31342	1.4
518.32281	20.6
518.39093	5.1
519.33374	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	518.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	9.5
55.05523	45.3
57.03433	9.1
67.05503	91.0
69.03447	18.4
69.07070	67.9
69.33113	68.9
71.05008	14.2
71.31149	9.2
79.05490	80.2
81.07056	97.4
83.08610	46.3
91.05478	66.7
93.07050	92.6
95.04972	24.1
95.08632	87.7
97.06528	21.0
97.10168	51.1
98.22545	10.4
99.04485	10.7
105.07032	84.1
107.08590	100.0
107.09194	11.3
109.06534	13.5
109.10133	56.0
111.08127	15.7
112.17686	8.4
117.07024	28.7
119.08590	79.1
121.06550	21.0
121.10151	74.0
122.10546	12.0
123.08041	44.2
123.11705	14.0
125.09625	45.3
129.07001	18.8
131.08580	55.1
133.06476	16.7
133.10126	62.6
135.08060	26.1
135.11676	55.9
137.06032	12.0
137.09622	26.1
139.11168	13.4
140.14970	9.7
143.08530	14.6
145.10100	61.3
147.08102	16.3
147.11705	31.4
149.09637	17.0
149.13298	17.3
151.07539	32.3
153.09102	22.5
155.08670	12.5
157.10170	23.3
159.08215	9.9
159.11697	28.2
161.09599	13.8
161.13275	34.6
163.11176	12.1
163.14824	20.4
165.09181	10.0
169.10167	18.9
171.11742	25.7
173.13275	26.7
175.11258	15.0
175.14851	36.8
185.13242	17.1
187.14909	12.8
189.09261	11.2
189.11232	49.4
189.16420	11.6
191.14325	11.9
193.15916	11.6
199.14780	11.2
201.12846	10.1
207.13931	12.3
211.14789	11.5
219.13745	10.4
237.16528	11.4
241.19337	14.1
259.20584	18.6
263.09137	11.9
277.21698	50.8
295.22812	17.7
332.20337	9.1
409.31174	11.1
411.28732	26.2
429.30005	73.4
437.30438	29.1
447.31125	76.3
455.31589	22.2
465.32095	82.5
473.32733	19.0
483.31232	20.3
500.30560	17.3
501.32498	11.1
518.33783	46.9
519.28833	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69174	8.1
53.03944	9.2
55.01868	8.3
55.05513	61.7
62.06088	9.9
62.93534	7.3
67.05499	86.2
69.03436	11.5
69.07066	45.8
69.12335	60.5
79.05495	74.8
81.07058	84.9
83.04984	10.0
83.08620	33.5
91.05451	45.1
93.07038	70.0
95.04980	9.1
95.08607	95.5
97.06535	16.2
97.10163	51.2
98.22567	17.5
99.20174	7.6
105.07024	82.3
107.04957	9.0
107.08588	72.3
109.06502	14.0
109.10168	51.0
117.06974	10.9
119.08570	71.7
121.06493	13.8
121.10136	58.9
123.08088	47.9
123.11711	10.6
125.09609	41.2
129.06981	14.4
131.08566	23.6
133.10123	41.4
135.08069	16.5
135.11714	39.1
137.05919	8.4
137.09604	24.0
137.13254	7.1
139.11166	10.2
143.08656	13.0
145.10103	29.7
147.08084	15.1
147.11687	20.5
149.09654	13.2
151.07558	18.9
153.09073	28.2
157.10139	14.9
159.11723	14.5
161.09683	13.3
161.13213	15.7
165.09009	8.7
169.10065	9.6
171.10135	7.5
171.11633	16.4
173.13239	17.8
175.11185	11.2
175.14816	17.2
185.13228	15.8
187.14792	13.2
189.11273	33.1
191.14246	10.6
201.11194	11.4
227.17876	10.1
241.19597	9.2
241.55051	8.2
259.20523	8.7
273.18402	9.5
277.21582	38.3
291.19400	19.3
295.22659	42.4
309.20639	19.2
327.21576	11.4
335.05716	8.5
411.28922	16.1
419.29202	9.4
429.29980	47.6
437.30692	18.9
447.31033	98.7
448.31226	10.3
455.31485	17.6
465.32037	100.0
483.32907	8.1
500.31335	13.9
518.31732	16.3
518.38721	22.2
519.26581	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	518.4057
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	46.7
57.03436	12.6
57.07085	37.5
58.92479	5.7
67.00925	5.4
67.05511	35.1
68.55023	5.1
69.07062	15.0
69.52142	5.5
71.08633	15.8
71.31324	8.2
78.89149	5.4
79.05511	16.8
81.07049	27.1
83.04974	9.5
83.08635	31.8
85.10174	11.8
89.06086	7.7
91.05460	8.8
93.07060	19.0
95.08605	19.2
97.10187	64.8
107.08586	20.9
109.10175	13.4
121.10163	5.8
123.11607	6.0
125.09651	48.0
133.43752	4.9
134.93463	6.1
135.08105	7.8
135.11697	7.8
142.24852	5.5
189.09775	5.8
189.11211	38.9
221.08073	6.6
225.11209	31.0
227.12802	100.0
245.13840	86.3
266.03970	6.3
277.14346	13.2
295.15353	9.8
308.41556	6.1
313.27402	80.5
422.77338	5.6
483.36685	54.0
518.38934	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	519.259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
55.05502	2.6
57.03448	1.0
59.65084	0.8
66.90441	0.7
67.05499	6.3
69.03429	0.9
69.07076	2.7
71.04951	0.9
71.32175	1.6
79.01830	1.2
79.05498	7.3
80.70273	0.8
81.07057	36.3
82.07355	1.0
83.08620	1.6
85.06550	1.6
91.05495	3.7
91.55716	0.9
93.07050	4.4
95.04964	1.3
95.08606	10.1
99.08108	0.8
105.06422	0.9
105.07010	4.5
107.04962	1.2
107.08589	4.4
109.02901	0.9
109.06509	1.5
109.10147	3.1
111.08053	1.0
111.68268	1.0
117.07043	1.1
119.08578	3.5
121.06581	0.9
121.10143	2.8
131.08594	1.2
133.06516	1.6
133.10147	2.9
135.08012	1.3
135.11703	2.7
137.06017	1.0
137.13272	3.0
143.08472	1.3
145.02840	1.0
145.10114	2.4
147.08058	1.7
147.11662	1.7
149.05942	1.0
149.13269	1.2
151.03841	1.1
157.10178	1.2
159.11714	2.0
161.06046	0.8
161.13246	1.5
163.07571	1.3
171.11635	1.1
173.13338	1.3
175.14838	1.6
177.05476	3.3
177.09081	1.4
187.07693	1.1
187.11244	0.8
187.14821	1.6
189.16441	1.8
193.08655	2.2
203.10683	1.8
205.08646	2.3
205.12216	0.9
206.09375	2.9
209.08107	2.5
217.04919	4.6
217.08359	1.3
218.05666	1.5
219.06662	1.5
220.07289	1.5
221.08121	1.9
231.06409	1.1
233.08086	63.4
234.08850	24.6
235.09412	1.4
235.12994	1.7
243.02913	1.2
243.06552	1.1
244.07265	1.7
245.08034	11.3
247.06018	1.7
247.09657	10.0
248.06834	3.7
251.12605	2.4
255.10255	1.0
257.08060	2.1
258.08881	3.0
259.05969	1.9
259.09671	3.6
261.04007	1.5
261.07635	3.8
263.09140	89.1
264.09573	4.1
273.07834	2.2
273.11206	14.8
275.09155	3.7
277.10529	1.0
283.09744	0.9
287.09109	23.3
288.09491	0.9
291.15799	2.5
293.10223	5.0
299.09302	1.1
301.10632	6.6
305.10199	2.7
307.14954	0.9
311.09073	1.0
317.10165	14.1
318.10553	1.6
329.10172	10.2
347.06912	1.3
347.11234	26.6
348.11630	1.7
365.12305	36.9
366.12463	1.3
383.13354	100.0
384.13651	5.1
402.23923	1.0
439.28012	1.0
440.28848	4.2
483.19885	1.6
483.30923	2.0
484.31308	10.0
485.32455	1.5
519.29816	36.9
520.29047	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	519.2931
Annotation	Segetalin G
Peak:m/z	Relative Intensity
53.03942	0.4
55.01879	0.3
55.05499	1.3
57.03421	0.9
64.88497	0.3
67.05508	4.1
69.07071	1.7
71.04982	0.7
79.05505	2.2
81.03423	0.7
81.07057	5.5
83.08614	1.3
85.02889	0.8
85.06536	0.5
91.05456	2.7
93.07054	2.9
95.04964	0.8
95.08585	3.3
97.06531	1.1
97.10168	0.6
99.04474	0.5
105.07016	1.8
107.08595	2.5
109.10135	1.9
111.08114	0.8
115.59216	0.4
117.03364	1.0
117.07005	0.9
119.05000	0.5
119.08592	1.6
121.10150	2.2
123.08096	0.7
123.11714	0.7
125.09642	0.5
129.07011	0.5
131.08572	1.0
133.10094	1.9
135.08037	0.7
135.11687	0.9
137.05972	1.7
143.08614	0.6
145.02873	2.6
145.06499	0.4
145.10129	0.6
147.04422	0.6
147.11687	1.1
149.05995	0.6
149.09612	0.7
149.13261	1.2
151.03917	0.4
151.07539	1.3
151.11182	0.5
157.10176	0.4
159.08038	0.6
159.11646	0.9
161.06024	0.4
161.13165	0.4
163.07614	0.4
163.09435	0.4
163.11124	0.4
163.14796	0.6
171.11716	0.5
173.13232	0.7
175.14812	1.2
177.05487	5.6
189.09055	0.4
193.12204	0.4
195.06505	0.8
205.12051	0.5
207.13879	0.4
215.18140	0.5
220.14339	0.4
233.08165	0.4
235.13065	3.1
251.12560	5.2
263.09024	0.8
269.17429	0.5
291.15683	6.9
299.09161	0.8
307.15106	3.7
323.12900	0.6
325.23935	0.5
355.15326	0.4
395.75458	0.4
437.30701	0.4
456.32541	0.5
457.32776	0.6
466.31354	0.4
479.52628	0.4
484.31723	0.4
501.31799	0.5
519.29279	100.0
520.29504	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	519.332
Annotation	Jaligonic acid
Peak:m/z	Relative Intensity
53.03936	1.5
55.01867	2.6
55.05507	7.8
57.03432	3.0
57.07074	2.0
65.03942	2.0
67.05511	11.3
69.03443	1.5
69.07063	9.0
71.04993	2.2
71.31768	2.1
79.05503	9.8
81.07056	22.6
83.04990	2.9
83.08605	7.0
85.06548	4.9
91.05470	13.9
93.07034	17.9
95.04977	4.1
95.08600	28.8
97.06513	3.1
97.10158	3.8
105.07030	31.4
105.07742	1.9
106.07336	1.4
107.04951	1.4
107.08589	25.3
109.06513	4.0
109.10143	14.7
111.08076	3.4
117.07030	5.6
119.04914	1.5
119.08574	32.4
121.06511	2.6
121.10141	19.8
123.08066	5.1
123.11713	7.7
125.06030	2.3
125.09637	3.6
129.06999	4.2
131.08553	13.5
133.06514	1.5
133.10130	26.0
134.10493	1.6
135.08054	2.9
135.11690	32.4
137.06003	4.8
137.09602	6.1
137.13280	2.0
139.11200	1.7
142.07787	1.2
143.08562	5.8
145.06450	2.4
145.10123	12.4
147.08054	1.4
147.11658	15.9
149.05933	1.6
149.09650	3.0
149.13257	5.0
151.03899	5.1
151.07568	3.1
151.11200	3.6
154.07788	1.3
155.08525	3.2
157.06381	1.5
157.10052	6.9
159.08055	3.6
159.11697	25.2
160.12032	1.2
161.06049	1.7
161.09618	2.9
161.13240	19.9
162.13644	2.0
163.03911	1.8
163.07570	2.5
163.11177	7.8
163.14848	6.8
169.10126	3.9
171.11671	9.4
173.09680	1.4
173.13232	8.3
175.11215	3.8
175.14833	5.3
177.09102	1.7
177.12749	2.5
177.16356	2.1
179.10812	1.5
181.10173	1.7
181.12289	1.7
183.11694	5.5
185.09621	1.8
185.13220	9.4
187.11205	22.2
187.14763	7.1
189.12758	9.1
189.16379	37.9
190.16780	1.8
191.14348	1.7
195.06509	6.1
195.11653	2.1
197.13223	3.3
199.11226	1.6
199.14836	4.4
201.12743	5.2
201.16394	4.8
203.07146	2.0
203.14368	4.4
203.17986	3.9
205.08621	1.6
205.12216	21.0
205.15868	2.4
207.17435	40.6
209.13254	1.4
211.14821	2.4
213.16382	3.5
215.10703	1.6
215.14316	4.5
215.17921	3.3
217.12354	1.8
223.14905	2.1
225.16370	2.5
227.14258	2.6
227.17957	2.2
229.15891	1.4
231.14035	1.8
233.11676	8.9
233.15288	2.2
235.13333	2.2
237.16393	3.6
239.17870	3.2
241.15950	2.3
241.19359	1.4
247.13251	1.9
255.17372	2.8
257.19104	2.2
268.11072	1.3
269.18988	2.4
299.06244	1.5
339.12164	2.4
357.13116	1.7
373.28909	2.0
385.31140	1.5
391.29837	3.9
409.31107	11.6
411.32605	7.3
419.29630	2.5
427.32114	15.9
437.30536	12.5
438.30905	1.9
455.31552	95.5
456.31970	8.6
473.32626	100.0
474.32806	9.8
483.30847	5.4
500.83127	1.4
501.32242	13.6
515.54059	1.5
519.19647	1.9
519.26508	3.4
519.33435	21.7
520.33594	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	519.352
Annotation	Discarine H
Peak:m/z	Relative Intensity
53.03945	8.4
54.35971	3.3
55.01872	10.8
55.05512	56.4
57.03442	4.9
57.07079	5.6
57.87942	3.2
63.02375	2.9
65.03932	9.4
67.05164	6.4
67.05502	100.0
68.05822	3.5
69.03449	5.9
69.07064	31.4
71.04977	15.0
71.31391	2.7
71.31828	4.3
72.68107	2.9
79.05489	73.1
81.03418	5.0
81.07054	81.1
83.04970	10.1
83.08622	35.8
85.06534	8.6
86.09697	6.7
87.04469	4.6
91.05480	37.9
93.07039	84.9
95.04949	12.3
95.08025	5.9
95.08606	74.0
95.27113	3.1
97.06537	8.2
97.10163	53.8
99.04449	4.0
99.08068	4.4
103.05460	4.7
105.07040	39.8
107.04951	6.5
107.08591	65.0
109.06516	8.8
109.10159	49.2
111.08082	13.5
113.09663	6.2
117.07017	13.4
119.08579	39.8
120.08920	4.1
121.06509	5.6
121.10132	67.3
122.10522	5.7
123.04467	4.8
123.08083	8.3
123.11701	9.8
125.09641	46.2
129.06992	8.7
131.08559	28.2
133.10118	37.9
135.08057	10.2
135.11687	51.9
137.05971	9.9
137.09610	15.4
137.13219	4.7
139.11203	7.6
143.08569	11.8
145.06425	3.9
145.10094	35.0
147.07994	3.7
147.11667	27.9
149.09619	13.1
149.13289	13.6
151.03963	23.1
151.07600	4.2
151.11150	8.2
153.09097	16.7
155.10716	8.1
157.10104	12.2
159.08069	5.5
159.11671	21.1
161.06047	3.9
161.09627	8.2
161.13309	11.8
163.07494	9.4
163.11165	6.1
163.14807	3.8
165.12805	5.0
167.10703	5.3
169.10141	7.0
171.11685	12.9
173.11842	6.9
173.13281	16.3
175.07524	4.5
175.11200	4.5
175.14836	12.9
177.12788	9.2
179.10674	4.8
179.14380	4.4
181.12338	4.3
183.11855	4.4
184.07310	17.1
185.07709	3.7
185.13284	12.9
187.11194	4.5
187.14835	13.5
189.11217	34.2
189.12727	4.4
189.16315	5.8
191.14302	4.6
195.13692	5.8
197.13310	4.7
199.14833	5.2
200.11427	3.4
201.12790	7.8
201.61490	4.0
203.12691	5.3
203.14455	5.6
213.12753	5.0
215.14478	4.0
219.13782	5.0
223.14960	3.9
229.19485	4.1
233.15317	4.4
239.18024	4.9
241.19563	8.5
245.18947	4.2
257.19162	4.2
259.20569	20.6
261.18469	4.9
263.20090	5.4
275.20105	22.9
277.21658	62.0
278.22064	4.9
281.21033	5.9
293.20990	25.6
295.22632	36.8
311.22293	6.0
411.29175	4.6
419.29654	6.9
429.29965	44.5
437.30408	7.3
447.31027	63.3
448.31418	3.7
455.31204	10.4
465.31961	30.4
467.30994	4.8
473.32394	9.4
483.31442	14.4
501.31689	13.6
519.29315	41.8
520.29242	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	519.352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	8.4
54.35971	3.3
55.01872	10.8
55.05512	56.4
57.03442	4.9
57.07079	5.6
57.87942	3.2
63.02375	2.9
65.03932	9.4
67.05164	6.4
67.05502	100.0
68.05822	3.5
69.03449	5.9
69.07064	31.4
71.04977	15.0
71.31391	2.7
71.31828	4.3
72.68107	2.9
79.05489	73.1
81.03418	5.0
81.07054	81.1
83.04970	10.1
83.08622	35.8
85.06534	8.6
86.09697	6.7
87.04469	4.6
91.05480	37.9
93.07039	84.9
95.04949	12.3
95.08025	5.9
95.08606	74.0
95.27113	3.1
97.06537	8.2
97.10163	53.8
99.04449	4.0
99.08068	4.4
103.05460	4.7
105.07040	39.8
107.04951	6.5
107.08591	65.0
109.06516	8.8
109.10159	49.2
111.08082	13.5
113.09663	6.2
117.07017	13.4
119.08579	39.8
120.08920	4.1
121.06509	5.6
121.10132	67.3
122.10522	5.7
123.04467	4.8
123.08083	8.3
123.11701	9.8
125.09641	46.2
129.06992	8.7
131.08559	28.2
133.10118	37.9
135.08057	10.2
135.11687	51.9
137.05971	9.9
137.09610	15.4
137.13219	4.7
139.11203	7.6
143.08569	11.8
145.06425	3.9
145.10094	35.0
147.07994	3.7
147.11667	27.9
149.09619	13.1
149.13289	13.6
151.03963	23.1
151.07600	4.2
151.11150	8.2
153.09097	16.7
155.10716	8.1
157.10104	12.2
159.08069	5.5
159.11671	21.1
161.06047	3.9
161.09627	8.2
161.13309	11.8
163.07494	9.4
163.11165	6.1
163.14807	3.8
165.12805	5.0
167.10703	5.3
169.10141	7.0
171.11685	12.9
173.11842	6.9
173.13281	16.3
175.07524	4.5
175.11200	4.5
175.14836	12.9
177.12788	9.2
179.10674	4.8
179.14380	4.4
181.12338	4.3
183.11855	4.4
184.07310	17.1
185.07709	3.7
185.13284	12.9
187.11194	4.5
187.14835	13.5
189.11217	34.2
189.12727	4.4
189.16315	5.8
191.14302	4.6
195.13692	5.8
197.13310	4.7
199.14833	5.2
200.11427	3.4
201.12790	7.8
201.61490	4.0
203.12691	5.3
203.14455	5.6
213.12753	5.0
215.14478	4.0
219.13782	5.0
223.14960	3.9
229.19485	4.1
233.15317	4.4
239.18024	4.9
241.19563	8.5
245.18947	4.2
257.19162	4.2
259.20569	20.6
261.18469	4.9
263.20090	5.4
275.20105	22.9
277.21658	62.0
278.22064	4.9
281.21033	5.9
293.20990	25.6
295.22632	36.8
311.22293	6.0
411.29175	4.6
419.29654	6.9
429.29965	44.5
437.30408	7.3
447.31027	63.3
448.31418	3.7
455.31204	10.4
465.31961	30.4
467.30994	4.8
473.32394	9.4
483.31442	14.4
501.31689	13.6
519.29315	41.8
520.29242	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.3
52.66013	0.4
53.03959	0.6
57.07791	0.3
58.18829	0.3
61.26436	0.3
68.99785	0.3
69.03419	1.7
69.47147	1.5
70.06595	0.3
71.05005	0.4
79.01858	2.7
81.03420	4.6
85.02909	1.6
97.02896	2.1
99.04447	0.5
104.05011	0.3
105.07059	0.5
107.01333	1.0
109.02888	2.5
125.02345	2.1
127.03917	3.0
132.04449	8.1
133.04825	0.4
137.05994	0.8
143.03403	2.7
145.04967	0.6
146.99350	0.3
153.01831	60.7
153.02876	2.8
154.02156	1.1
160.03885	0.6
165.09106	0.7
167.06992	0.4
171.02898	3.3
177.05627	0.3
178.04996	61.7
179.05360	1.9
191.28296	0.3
206.04491	100.0
207.04803	3.4
263.12216	0.3
297.06021	5.8
297.09134	0.4
298.06253	0.4
315.07037	2.0
342.93515	0.3
368.09717	0.6
452.05389	0.3
502.17697	0.3
520.10638	1.3
520.19434	0.8
521.12115	1.9
521.22430	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
62.51430	2.0
69.03444	2.3
71.32373	2.4
78.04720	3.1
79.05500	6.4
90.34071	1.9
91.05465	3.1
93.07056	2.5
97.02863	2.1
103.05462	2.3
105.07049	5.9
112.22717	1.9
121.06474	4.4
122.03684	2.2
123.04440	7.6
131.08566	2.3
133.06483	28.1
135.04375	2.8
137.05983	13.1
140.09447	1.7
149.05971	2.6
151.07542	6.4
153.01842	11.9
161.05975	4.0
163.07549	2.6
167.07030	100.0
168.07407	4.1
189.12819	4.0
191.14302	5.2
193.08615	4.0
207.13792	6.6
211.09634	9.8
220.42494	2.0
232.74402	2.2
341.06641	4.1
442.80295	2.1
518.02020	2.0
521.22461	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	520.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06192	1.0
53.03953	1.5
55.01852	1.1
55.05514	2.2
57.03430	11.0
61.02925	1.0
63.98143	0.9
69.03413	1.9
71.04989	86.3
73.02907	2.3
75.04472	4.2
75.87915	0.9
79.05485	1.7
80.35383	0.9
83.04970	8.1
85.02901	100.0
87.04469	1.8
89.84940	0.9
91.05476	3.1
95.04977	2.1
97.02895	3.6
99.04466	2.3
103.05471	2.4
105.07044	2.5
107.04945	20.4
109.02841	1.1
111.04432	3.8
115.05431	3.1
117.07037	1.3
119.08578	1.1
121.43375	1.0
123.04433	2.0
127.03937	1.8
129.05467	32.9
129.06961	2.0
131.08580	3.1
133.06474	1.2
135.08025	8.6
137.05943	5.6
141.06952	1.0
145.04984	1.7
145.06508	1.7
146.08141	3.1
147.06516	14.2
147.07680	1.5
159.08051	2.0
161.05997	1.7
162.07614	3.2
163.07533	20.1
164.09198	5.5
167.07033	53.7
168.07411	1.4
175.07512	2.2
177.05515	1.2
180.08847	1.2
187.07518	10.5
189.09105	3.4
192.07817	1.3
193.81325	1.0
195.10164	38.4
204.07811	3.5
205.08609	2.9
207.10150	8.4
218.84169	1.0
219.10124	13.0
221.11748	10.5
225.11118	2.6
227.10716	1.3
231.10132	1.8
233.11700	1.4
235.09630	1.6
237.11234	3.3
245.11760	1.4
247.09721	3.1
249.11205	4.8
263.12759	1.3
267.03113	1.0
287.12805	2.2
305.13654	2.6
326.14392	2.1
351.08691	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.5
55.05510	2.1
55.61665	0.8
55.75513	0.7
56.48660	0.7
57.03434	10.7
60.04531	0.9
61.02933	1.1
63.46340	0.7
67.05493	0.9
69.03419	3.0
69.11133	7.3
71.01353	0.9
71.04987	73.1
73.02906	2.3
75.04481	3.6
79.05482	1.6
83.04981	12.7
83.05440	1.4
85.02900	100.0
86.03223	1.0
87.04461	2.0
91.05460	1.3
95.04968	1.3
97.02871	2.7
98.23264	1.4
99.04450	2.4
103.05432	3.8
105.07023	3.1
107.04945	6.0
111.04439	4.0
115.05449	1.8
117.07052	1.2
127.03948	2.4
129.05473	37.6
131.04892	1.2
133.06444	1.5
135.08067	4.0
137.05969	4.6
139.03923	4.1
144.06569	1.3
145.04919	1.3
145.06485	1.9
146.08130	2.1
146.44724	0.9
147.06517	12.0
153.01810	0.8
153.05466	0.9
154.06230	21.8
160.95726	0.8
161.06020	2.3
162.07700	2.1
163.07539	16.1
164.09192	5.4
167.07048	3.3
173.05981	1.7
175.07584	1.9
177.05475	0.9
179.07063	1.1
180.08862	1.1
181.04964	1.3
195.10150	49.9
196.10507	1.1
205.08601	1.6
207.06541	0.9
207.10150	2.6
213.09343	0.8
219.10176	2.2
221.08002	1.3
239.95222	0.8
259.13220	1.3
261.11432	0.8
287.12708	1.8
305.13794	5.7
311.05893	0.9
372.08887	1.1
479.06631	0.9
497.07495	3.8
521.20087	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
65.10515	0.6
69.14333	3.2
69.14740	1.1
73.06569	2.3
87.04463	9.5
89.06023	100.0
90.06334	1.4
91.07539	0.7
107.07032	1.3
107.08578	0.9
117.09087	1.0
131.07016	2.7
131.08582	1.1
133.08592	56.5
134.08913	1.0
149.09534	0.6
153.01814	2.5
175.09680	1.7
177.11198	16.6
178.11656	0.7
189.12735	0.5
221.13840	3.2
239.14949	0.7
256.38455	0.5
265.16504	0.9
283.17557	1.0
309.19012	0.7
346.80240	0.5
370.06909	0.5
459.28265	0.7
503.30557	4.1
504.30713	0.7
520.15320	0.9
520.34296	0.9
521.12610	20.8
549.29187	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.34
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.5
56.05034	0.5
57.03433	0.1
57.43744	0.1
58.06354	0.2
58.06620	0.4
59.07389	0.2
60.08167	6.8
67.05517	0.8
69.07072	0.3
69.25749	0.3
69.26163	0.8
71.07376	3.6
72.06149	0.1
77.45725	0.1
79.05494	0.3
81.07066	0.7
86.09708	32.5
87.10036	0.5
91.05471	0.3
93.07058	0.4
95.08607	0.5
97.33704	0.1
98.22666	0.2
98.98464	3.8
98.99099	0.2
102.73482	0.1
104.10747	2.9
105.07032	0.4
106.43956	0.1
107.08619	0.3
109.10146	0.4
116.70319	0.1
119.08575	0.4
121.10165	0.3
123.11725	0.2
125.00004	23.5
126.00422	0.1
132.11012	0.1
132.76045	0.1
133.10056	0.2
135.29984	0.1
145.10133	0.2
149.09619	0.2
149.87256	0.2
180.13689	0.1
184.07343	100.0
185.07707	1.4
185.16396	0.1
187.14806	0.2
195.58688	0.1
258.11060	0.2
337.27374	0.2
502.32889	0.9
520.34351	1.0
521.29614	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.2
55.05510	1.2
56.05036	1.5
57.03421	0.5
57.07050	0.2
58.06578	1.5
59.07365	0.2
60.08165	17.3
67.05503	3.2
69.07063	1.4
70.06603	0.4
71.07376	7.5
77.03886	0.2
79.05495	1.0
81.06627	0.3
81.07059	3.5
83.08613	0.7
83.93696	0.2
86.09708	52.9
87.10027	0.8
91.05478	0.8
93.07054	1.2
95.04955	0.2
95.08603	2.4
97.06523	0.2
97.10172	0.4
98.98470	5.1
100.57283	0.2
101.90607	0.2
104.10743	96.6
105.07018	0.7
105.11085	1.2
107.08589	0.9
109.10152	0.9
111.08076	0.2
119.08586	0.7
121.10130	0.9
123.08105	0.2
125.00003	31.0
125.05114	0.2
133.10136	0.6
135.11717	0.5
137.09680	0.2
143.01149	0.3
145.10184	0.2
147.11679	0.5
148.26668	0.2
149.13226	0.3
150.46611	0.2
159.11760	0.4
161.13243	0.3
163.01552	0.5
163.14851	0.2
175.14873	0.5
184.07343	100.0
185.07686	1.6
187.14835	0.3
189.16547	0.3
203.17984	0.2
258.11032	1.2
337.27515	0.8
439.32211	0.4
443.25803	0.4
457.33017	0.5
502.32932	8.4
503.33182	0.7
520.34009	20.8
521.35175	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	8.9
64.45222	2.3
67.05502	13.1
69.07076	16.8
69.98263	9.2
79.05502	13.4
81.07045	25.0
83.08617	6.8
85.06558	4.8
86.09692	3.1
91.05451	15.3
93.07050	35.4
95.04980	5.6
95.08611	50.9
97.06574	2.6
97.10163	2.8
98.22607	2.8
105.07038	26.5
107.07892	5.0
107.08591	47.3
109.06537	5.2
109.10163	35.6
111.08081	3.4
113.06026	7.0
113.18348	2.7
119.04940	2.6
119.08582	33.1
121.06519	7.7
121.10152	47.4
123.08066	4.3
123.11716	13.6
131.07065	6.3
131.08562	9.9
133.06517	6.2
133.10117	33.2
135.08055	9.1
135.11682	38.1
137.05949	2.5
137.13255	4.2
143.08546	9.2
145.10107	14.4
147.08028	9.1
147.11684	27.2
149.05960	6.9
149.13261	13.6
151.07561	5.6
151.11098	3.5
153.05534	3.0
157.10124	11.7
159.11710	16.6
161.09627	5.8
161.13272	15.4
163.07564	23.0
163.11160	4.3
163.14804	13.0
165.09131	5.9
169.10107	3.2
171.11658	14.7
173.09695	5.7
173.13292	12.3
175.11249	12.1
175.14754	13.2
177.12718	4.8
177.16397	11.9
183.11749	3.1
184.07335	7.6
185.13240	9.1
187.11119	4.0
187.14867	9.6
189.12720	16.2
189.16325	12.2
191.14281	5.6
191.17941	85.0
192.18411	3.2
197.13290	3.7
199.14868	4.1
201.12601	3.2
201.16309	7.5
203.14268	8.3
203.17926	31.3
205.19388	3.3
207.13638	2.6
207.17493	3.1
211.55879	2.4
213.16563	3.4
215.14320	3.9
215.17946	3.8
217.12221	5.4
217.15984	3.4
217.19502	8.7
221.11653	5.9
225.16434	3.5
231.13829	4.7
235.13216	16.0
241.12210	3.2
249.14926	12.6
259.13321	6.4
295.15472	4.2
355.29895	4.5
360.03735	2.8
379.29678	6.9
397.30917	20.9
421.31161	3.7
425.30405	9.1
439.32019	15.2
440.32321	4.7
443.31445	8.1
457.33191	30.8
458.33612	3.5
467.31543	6.2
485.32672	100.0
486.32690	8.3
520.36261	3.3
521.28589	5.4
529.27716	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.0327
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85412	18.3
51.62774	19.9
61.67789	18.9
70.38300	74.2
85.02908	50.3
86.21616	19.3
90.55465	20.6
97.02878	26.3
124.19455	20.4
127.03941	22.4
144.40538	19.4
145.04965	43.6
163.06055	49.0
186.91681	100.0
202.89070	27.7
228.94841	23.3
262.31073	20.1
290.92569	32.6
296.71155	23.6
310.36267	21.6
328.88068	26.6
365.10400	34.4
462.63928	21.2
521.03119	70.8
521.13727	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.127
Annotation	Methyl 4-O-galloylchlorogenate
Peak:m/z	Relative Intensity
71.31889	0.7
79.01849	1.0
81.03410	1.3
82.03742	0.8
84.14467	0.5
85.02904	0.5
97.02884	1.1
103.40720	0.5
109.02831	0.8
117.75968	0.6
127.03922	0.6
132.04457	2.3
133.04767	0.9
143.03375	0.9
152.16440	0.5
153.01819	14.7
153.02957	0.9
154.02142	5.2
171.02858	1.1
178.04996	12.7
179.05315	8.1
206.04333	17.1
207.04750	12.6
207.06299	1.7
220.16180	0.5
297.06042	0.7
298.06238	0.8
332.40512	0.5
337.05331	4.4
365.88617	0.5
521.12610	100.0
522.12848	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	521.144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	0.6
55.01862	1.0
61.11395	0.5
65.03944	0.9
68.99797	3.8
69.06980	2.1
69.07407	2.5
71.01359	1.1
75.96140	0.5
79.05456	0.5
81.03388	0.6
81.07033	1.0
85.02893	0.9
89.03919	1.3
91.05479	2.5
93.07069	0.6
95.04958	0.8
103.05441	1.0
105.06993	0.7
106.47886	0.5
107.04938	1.2
111.04425	1.0
115.05435	0.7
117.03368	1.3
117.07037	1.0
119.04929	1.6
121.02876	0.6
121.06491	0.7
123.04424	14.1
129.06998	0.5
131.04919	1.8
131.08533	0.7
135.04417	5.9
137.02341	4.5
137.05969	5.3
139.03897	24.6
139.26935	0.5
143.03365	0.6
143.04922	0.5
143.08543	0.7
145.02840	2.3
145.06497	1.8
146.03539	0.8
147.04395	32.1
148.04758	1.0
149.05968	16.2
151.03896	2.0
153.01805	2.0
153.07025	1.1
155.04906	0.9
157.06374	0.6
159.04355	0.8
160.05194	3.7
161.06000	6.4
162.06677	0.9
163.03899	43.9
164.04575	3.6
165.05452	1.8
165.06863	0.8
167.07089	0.8
167.08540	1.9
169.05042	0.7
169.06451	1.0
171.08047	0.7
173.05981	9.0
175.03899	5.8
175.07510	0.9
176.04343	0.5
177.05537	0.9
177.06985	1.1
179.03368	1.0
179.07072	0.8
179.08565	0.9
181.05014	0.9
181.06461	3.9
184.80104	0.5
185.05943	1.3
187.03903	1.9
187.07573	0.9
189.05394	3.2
191.08560	0.8
191.10579	0.5
193.04953	0.8
195.08057	5.1
197.05893	4.5
198.24272	0.5
199.07532	4.9
201.05443	5.6
203.07031	0.6
205.04839	3.4
205.06534	3.2
206.05627	0.9
211.07507	0.8
213.05440	1.9
213.09071	1.9
215.06955	1.3
217.04982	2.8
219.08064	1.4
221.05942	3.3
222.06577	0.5
223.07527	20.5
224.07915	1.5
225.05423	4.7
226.06187	1.9
227.07028	2.4
229.04945	1.5
231.06433	1.0
233.05981	1.8
234.06752	1.0
235.07562	0.9
237.05440	0.6
237.09026	1.1
239.06902	1.0
241.08556	2.9
242.05632	1.0
243.06398	6.3
247.07549	2.6
249.05460	2.0
250.06177	1.6
251.06995	18.3
252.07603	1.8
255.06270	0.7
261.09085	1.9
263.07034	1.6
264.07645	0.8
265.08603	3.0
267.06485	2.2
268.07190	0.9
269.08060	100.0
270.08401	5.2
271.07486	0.9
275.06912	1.2
277.04990	1.1
278.05548	0.8
279.06512	5.1
281.08051	1.5
283.09589	2.5
285.07504	0.7
289.08591	2.7
291.06741	1.0
292.07141	1.7
293.08087	8.3
294.08307	0.7
295.06033	13.7
296.06638	2.5
297.07678	0.8
307.06171	0.7
307.09506	5.7
308.09741	0.8
309.07504	3.4
311.09109	56.7
312.09579	4.0
315.08685	2.5
317.08102	2.7
323.09055	0.7
325.07263	0.6
325.10635	1.7
335.09140	9.9
336.09348	0.8
337.10547	1.1
339.08459	0.8
341.06171	0.7
347.09036	0.5
353.10162	53.8
354.10602	3.4
365.10220	1.3
383.11218	1.3
419.11136	0.6
427.08032	0.6
436.35968	0.7
475.13477	0.9
503.12915	1.0
521.14459	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	521.1656
Annotation	Quercetin 5,7,3',4'-tetramethyl ether 3-galactoside
Peak:m/z	Relative Intensity
52.01656	0.4
53.03936	0.6
55.01867	0.6
55.05507	0.9
57.03424	1.2
57.07075	0.5
61.02925	0.8
67.05511	2.5
69.03429	3.2
69.07063	1.1
71.04981	1.1
71.31635	0.3
71.32098	0.4
73.02911	0.6
73.42835	0.3
79.05491	1.7
81.03415	1.3
81.07060	3.1
83.04980	0.6
83.08612	0.5
85.02904	5.6
85.06519	0.5
87.04471	0.7
91.05464	2.0
93.07053	2.4
95.04958	1.0
95.08595	2.2
97.02894	1.3
97.06534	0.7
97.10136	0.6
99.04435	0.5
103.05458	0.5
105.07034	2.1
107.04965	0.8
107.08599	2.2
109.02859	1.1
109.06499	0.6
109.10154	1.5
115.03946	0.3
119.08571	1.9
120.08922	0.4
121.02904	0.4
121.06521	0.6
121.10138	1.7
122.10454	0.4
123.04450	0.4
123.08083	0.5
123.11702	1.0
124.05202	0.6
127.03918	1.2
129.07014	0.4
131.04881	0.6
131.08557	1.4
133.06458	0.5
133.10167	1.8
135.04381	0.5
135.08060	0.5
135.11665	1.1
137.06013	2.3
137.09647	0.7
139.07472	0.3
143.08575	0.6
144.81804	0.3
145.06506	0.5
145.10141	1.5
147.04385	0.6
147.08113	0.6
147.11694	0.8
149.05983	0.5
149.09633	1.6
149.13252	0.8
151.02693	0.5
151.03915	7.7
151.05023	0.7
151.07544	1.0
153.05490	0.5
157.10110	1.0
159.08066	0.6
159.11688	0.9
161.05954	1.9
161.09566	0.6
161.13243	0.7
163.03934	0.7
163.07553	0.8
163.11119	0.4
165.09151	0.4
167.06996	1.0
171.08031	0.4
173.09595	0.4
173.13295	0.7
175.07588	0.5
175.11140	0.5
175.14836	0.4
177.05452	1.0
177.09148	0.4
179.03419	0.6
181.05026	1.9
181.10135	0.4
185.09795	0.5
187.14761	0.8
189.09065	1.0
189.12746	0.5
189.16347	0.6
191.07158	0.4
191.10735	0.6
199.07532	0.5
201.12816	0.5
201.16281	0.4
215.07004	0.5
217.08533	0.7
222.28033	0.3
225.09077	0.4
227.07166	0.5
243.06409	0.6
243.10254	0.4
245.08086	1.4
255.06464	0.8
271.06000	1.1
272.06842	0.5
273.07565	4.3
274.07874	0.3
283.05988	1.4
285.07526	0.8
296.06680	0.4
297.07672	0.4
299.05551	1.6
300.06158	1.8
301.07050	5.7
309.11075	0.4
311.05460	1.4
311.09036	0.6
311.12796	0.4
313.07047	0.9
313.10428	0.4
314.07779	0.8
315.08600	7.4
316.09137	0.9
325.06836	0.6
326.07828	6.0
327.08481	1.2
327.12244	0.6
328.05838	0.9
329.06570	14.4
329.10062	1.0
330.06946	0.7
341.14029	0.5
342.07257	0.4
343.03937	0.6
343.08121	14.2
344.08890	37.1
345.09354	1.9
346.06744	2.0
357.09583	1.5
359.11230	100.0
360.11545	5.6
401.12271	3.3
411.32608	0.5
412.33160	0.5
439.32388	0.4
467.30392	0.4
478.30927	1.1
479.32120	0.4
521.16449	18.5
521.27655	4.0
522.16656	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27749	1.4
53.03929	2.2
55.05500	4.2
59.04987	6.1
61.42095	1.5
63.10432	1.3
65.03913	1.8
67.05494	4.4
69.03092	1.5
69.03422	8.6
69.07069	3.3
70.59869	3.1
74.32415	1.6
77.37711	1.3
79.01839	4.4
79.05492	4.0
81.03405	5.5
81.07047	3.7
83.05006	8.5
85.02914	3.8
85.06541	1.5
91.05474	6.8
93.07034	4.8
95.04948	2.8
95.08595	8.3
97.02885	6.5
105.07034	15.7
107.01312	2.2
107.08587	9.9
109.02872	4.7
109.06509	6.6
119.08571	19.1
121.06494	4.5
121.10129	8.0
123.08061	19.1
125.02364	4.3
127.03905	4.8
128.06294	1.6
129.06976	1.8
131.04871	1.6
131.08537	3.9
133.06483	2.7
133.10130	17.3
135.08029	5.7
135.11674	1.9
137.05968	6.2
137.09592	4.1
140.64958	1.6
143.03392	6.8
143.08501	2.1
145.10114	1.8
146.10892	1.7
147.08052	7.8
147.11702	11.4
149.09601	18.2
151.03902	3.4
151.11172	2.7
153.01820	100.0
153.02867	4.4
154.02171	2.3
156.09354	9.2
159.08058	22.0
159.11639	2.9
160.08772	2.7
161.05934	1.9
161.09621	3.2
161.13258	13.6
163.11171	7.4
171.02896	7.8
171.11659	8.8
172.11880	1.9
173.09615	2.9
174.10387	47.1
175.10846	1.8
179.03467	3.8
179.14278	3.5
181.01379	1.6
187.11234	2.5
189.12727	86.5
190.13129	5.0
193.04929	2.4
205.04800	3.4
207.13802	55.9
208.14110	1.9
209.04588	3.4
211.07564	4.6
221.04495	1.8
225.05522	1.5
239.06926	3.1
243.06512	2.4
251.07066	1.5
257.08044	12.8
259.05917	1.6
267.06485	2.2
273.07559	2.3
277.12122	2.6
285.07492	5.5
297.06064	5.4
298.08441	1.5
299.09048	4.7
299.12317	3.0
308.10526	2.2
311.09247	1.7
313.14365	2.2
315.07126	4.9
323.12805	6.4
341.13824	48.1
342.14142	5.0
359.14777	2.6
410.52335	1.5
503.10547	4.4
503.18610	3.4
521.11353	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	521.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.4
55.05504	4.3
59.04986	4.2
66.76074	1.4
67.05503	4.0
68.23483	1.7
69.03417	8.1
69.07063	5.7
71.04967	2.3
71.32114	2.4
71.32533	1.5
79.01855	4.4
79.05473	3.9
81.03407	3.9
81.07057	2.5
83.04972	6.7
85.02900	6.6
91.05475	6.1
93.02573	1.4
93.07034	5.5
95.04968	2.7
95.08604	7.9
97.02875	5.7
97.16776	1.8
101.92583	1.4
105.07015	13.1
107.08542	7.9
109.02856	5.9
109.06506	7.9
109.10150	2.0
119.08562	19.9
121.06483	3.0
121.10143	6.8
123.08064	21.0
124.08858	1.6
125.02327	2.4
127.03912	5.9
127.07574	1.8
131.08565	3.9
133.06471	4.3
133.10129	14.4
135.08064	4.6
135.11711	2.3
137.05997	2.5
137.09601	3.7
143.03395	5.6
143.08514	2.2
145.06485	1.7
145.10077	3.7
147.08034	8.7
147.11684	10.6
149.05956	1.8
149.09621	18.0
151.11179	2.2
153.01820	95.8
153.02885	4.7
154.02147	3.1
156.09315	9.2
159.08034	20.4
159.11714	1.9
160.08841	3.4
161.09619	3.3
161.13264	11.1
163.03879	1.9
163.11166	5.9
171.02853	7.9
171.11682	8.3
173.09593	2.9
174.10387	45.3
175.10980	2.2
179.03392	3.0
179.14279	5.5
181.04874	1.9
187.11179	2.6
189.12727	100.0
190.13167	3.7
191.14372	2.6
207.13791	56.4
209.04460	2.5
211.07555	5.6
225.09181	1.7
239.07016	4.6
243.06609	1.7
245.04442	1.5
253.12184	1.8
257.08093	8.6
259.06021	2.7
267.06564	2.0
270.08652	1.8
271.09814	3.3
273.07458	2.6
285.07629	5.8
297.06180	4.4
299.09219	4.7
299.12531	2.0
305.11807	2.4
306.12170	1.6
308.10428	3.2
313.14313	2.6
315.07080	6.0
323.12799	4.5
341.13828	53.1
342.14008	4.7
359.14789	3.0
369.19028	2.8
503.18918	1.7
521.12903	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2017
Annotation	(-)-Pinoresinol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03937	0.4
55.01862	0.6
55.05512	0.4
65.03925	0.5
67.05499	0.8
69.03416	0.2
69.37779	1.1
69.38198	0.4
79.05496	0.2
81.07066	0.6
83.04990	0.5
85.02895	0.7
91.05469	1.0
93.07043	0.5
95.04967	0.5
95.08588	0.5
103.05491	0.4
105.07038	0.6
107.04905	0.5
107.08566	0.4
108.02079	0.7
109.02881	0.4
109.06506	0.4
109.10165	0.3
119.04907	0.6
119.08533	0.4
121.02880	0.4
121.06484	0.4
121.10104	0.4
123.04418	0.4
128.06229	0.2
129.07001	0.9
131.04865	0.3
131.08551	1.0
133.10139	0.3
135.11708	0.4
137.05960	3.1
137.38884	0.2
141.05434	0.9
145.06383	0.3
147.04405	0.7
147.08055	0.8
147.90024	0.2
151.03899	100.0
151.04922	4.7
151.07359	2.4
152.04243	2.2
153.05447	0.3
157.06480	1.2
159.08028	1.9
161.05994	0.2
163.07655	0.2
164.08389	0.3
164.86380	0.3
167.07010	0.5
173.05943	0.6
174.06764	0.5
175.07530	1.0
176.08304	0.4
179.07086	0.3
179.10677	1.6
181.04953	0.3
185.06030	0.3
187.07582	0.2
189.09105	1.9
191.10657	0.5
193.08646	0.2
193.15790	0.2
201.05476	0.7
202.06247	0.3
203.06999	0.4
203.10646	0.5
207.10202	0.5
211.52710	0.2
217.08569	3.1
218.09160	0.4
221.11702	0.3
235.09634	52.0
236.09946	1.8
238.39848	0.2
251.07066	0.4
253.12344	0.2
254.09236	0.3
268.07333	0.3
281.11743	0.6
283.09641	1.3
284.10205	0.2
286.11902	0.3
298.12015	0.5
307.09308	0.2
325.10590	1.2
326.11502	0.5
341.13831	0.3
343.11694	1.8
351.83170	0.3
359.14856	27.7
360.15173	1.5
521.19873	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26032	0.5
53.03937	1.2
54.20172	0.6
55.01864	1.2
65.03939	1.3
69.01621	6.6
69.03421	1.6
73.62206	0.6
77.79397	0.5
79.05473	1.6
81.03419	1.2
81.07064	1.1
83.03613	0.5
85.02914	5.3
91.05482	1.3
93.03394	1.6
95.04982	1.3
95.08614	1.5
97.02884	1.1
97.06488	0.7
98.22472	0.9
103.05452	1.3
105.07029	11.0
107.08575	1.5
111.04459	0.8
113.45533	0.6
115.05446	0.6
121.66041	0.5
123.04423	0.6
125.05991	22.1
127.03891	1.2
129.06996	2.2
133.06490	15.9
137.05977	13.8
139.05374	1.0
145.04915	1.1
145.10173	1.3
151.03906	32.0
151.04996	3.2
151.07533	1.6
152.04228	0.7
153.01855	4.5
157.06471	3.0
165.09116	37.1
166.09433	1.3
167.04895	0.8
167.07045	17.7
171.11725	0.8
174.06734	1.9
175.07484	0.7
177.12833	0.6
181.08603	1.0
184.05164	1.2
189.09120	5.8
189.12770	4.1
195.06522	100.0
196.06879	2.6
201.05457	1.0
201.07510	0.7
207.06529	2.2
207.10095	2.0
212.04674	2.4
214.71591	0.6
217.08624	5.2
227.07016	0.9
229.04951	3.9
249.09212	0.7
259.09653	41.8
260.09930	2.8
281.11578	0.8
283.09763	1.6
283.58661	0.6
291.10120	0.7
298.11948	1.5
313.14267	6.9
326.11215	1.0
341.13800	12.4
359.14728	1.7
430.25555	0.7
521.20117	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	521.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44733	0.4
55.72834	0.4
56.96564	1.7
71.32935	0.5
79.05492	0.4
85.02859	0.5
91.05465	0.6
93.07061	0.6
98.97568	2.3
105.07047	0.6
107.08594	1.0
109.10169	0.4
114.40675	0.5
116.98635	1.2
119.08625	0.7
121.10160	1.0
131.08543	0.6
133.06444	0.5
135.25168	0.4
137.05983	2.7
143.08620	0.6
145.10098	0.8
151.03882	2.2
151.07538	1.0
153.01788	2.5
155.13503	0.4
161.06000	2.7
161.09579	0.7
167.07056	1.7
177.05437	0.5
185.04207	7.1
189.09116	1.1
189.12772	0.6
191.14418	0.4
200.56046	0.4
207.10181	1.4
207.13844	1.6
209.01259	1.4
209.15309	0.9
212.22279	0.4
213.00548	0.4
227.02243	3.1
228.03046	0.4
241.03821	1.3
245.03391	1.1
265.03952	0.6
265.08719	0.6
267.05450	1.4
270.04218	0.7
272.05673	1.9
283.05011	0.8
285.06445	0.8
287.08044	0.9
290.06757	1.3
313.14624	0.4
327.07138	0.5
340.04480	0.4
359.21945	6.4
402.09998	1.2
405.11768	0.9
417.12024	2.0
420.10855	1.8
435.13168	3.2
461.14648	1.4
479.15973	1.2
521.17462	5.1
521.27191	100.0
522.19379	0.8
522.27435	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	521.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03528	0.5
55.05520	0.8
69.02658	5.3
71.36235	0.5
79.05495	0.9
81.03390	0.7
81.07028	1.3
85.44292	0.5
88.86820	0.5
91.05480	0.9
93.07037	1.4
95.08592	0.7
97.02935	0.5
105.07014	1.1
107.08563	1.1
119.04916	0.8
119.08578	1.0
121.10154	0.8
128.06142	0.6
131.04942	0.8
131.08575	1.4
133.06612	0.6
133.10118	1.5
135.04466	1.3
137.05975	3.8
138.76447	0.5
145.57642	0.6
149.09579	0.6
151.03885	2.4
163.07451	0.7
165.09140	0.6
167.07082	0.9
175.07639	0.7
177.05453	0.6
181.05037	0.7
185.04205	9.6
189.09158	0.6
203.05295	2.9
217.02043	0.5
237.87828	0.6
313.10434	1.0
344.98083	0.5
359.11606	0.8
359.21875	8.2
521.27203	100.0
522.27490	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	521.3474
Annotation	Gamboukokoensein A
Peak:m/z	Relative Intensity
51.48511	0.9
53.03940	1.6
55.01865	1.5
55.05510	5.4
57.03427	1.1
57.07067	1.7
65.03941	1.3
67.05498	9.1
69.03400	1.1
69.07072	5.1
69.54067	1.7
69.54449	4.7
71.04967	1.5
77.03918	1.1
79.05497	6.8
81.03416	1.0
81.06564	1.0
81.07050	15.5
83.04971	2.1
83.08619	3.3
85.02888	1.3
85.06541	1.5
91.05475	11.6
91.50344	0.9
93.07036	13.7
94.18019	0.9
95.04956	3.1
95.08606	16.6
97.06543	2.1
97.10164	1.2
98.23421	0.9
101.06052	0.9
103.05465	5.7
105.07024	22.6
107.04934	2.2
107.07917	1.8
107.08586	19.4
108.02087	1.2
109.06496	3.5
109.10146	10.4
111.04386	1.3
111.08050	2.9
117.07010	3.7
119.08567	22.1
121.06457	2.4
121.10144	13.5
123.04396	2.1
123.08095	2.1
123.11687	5.1
125.06036	1.0
125.09608	1.1
127.03896	1.0
128.06206	1.3
129.06972	2.9
131.04918	4.0
131.08540	10.8
133.06497	1.9
133.10115	22.6
135.08052	2.8
135.11690	24.1
136.12042	1.7
137.05974	11.4
137.09612	2.6
137.13225	1.7
139.07541	2.1
139.11124	1.5
141.05444	1.5
141.06985	1.0
143.08568	4.6
145.06474	1.6
145.10115	11.8
147.04385	2.2
147.08012	2.5
147.11685	13.0
148.05188	4.8
149.05965	3.2
149.09656	2.7
149.13228	3.8
151.03905	100.0
151.04993	7.7
151.07483	6.9
151.11145	2.0
152.04225	3.6
153.05403	1.6
155.08495	2.3
156.09395	1.4
157.06493	1.4
157.10091	7.5
158.10866	1.4
159.08031	5.1
159.11693	9.2
160.11971	1.1
161.05984	1.8
161.09615	4.1
161.13246	20.3
162.13547	1.5
163.07494	6.2
163.11180	2.4
163.14798	6.1
165.09100	3.6
165.12665	0.9
167.07076	1.4
168.09326	1.0
169.10143	2.4
171.11690	6.3
173.09668	1.3
173.13243	7.4
174.13768	1.3
175.07510	1.6
175.11188	2.6
175.14812	5.1
177.05417	1.4
177.09041	1.8
177.12848	1.0
177.16405	2.1
179.10674	1.7
179.14383	2.2
182.10921	1.6
183.07944	1.4
183.11667	6.5
185.13237	10.2
187.07628	1.0
187.11111	2.3
187.14828	10.7
189.05521	1.5
189.09090	2.7
189.12752	14.3
189.16368	30.6
190.16753	1.3
191.10788	1.4
191.14223	1.0
191.17947	3.5
193.08536	1.4
193.15800	0.9
195.11684	1.9
197.13239	5.3
199.11200	1.3
199.14799	5.3
201.12750	7.7
201.16518	2.1
203.10599	1.2
203.14317	3.2
203.17964	3.3
205.12206	3.5
207.13901	7.1
207.17435	40.4
208.17819	2.3
210.06747	1.1
211.07587	1.0
211.14789	2.9
213.12909	1.2
213.16365	3.4
215.14256	2.2
215.17940	1.9
217.08586	2.9
217.15903	1.3
219.10268	1.3
219.13855	5.2
221.18852	1.2
223.14771	1.2
225.09023	1.2
225.16295	1.6
227.17952	1.6
231.13783	2.2
233.15392	1.2
235.09637	54.5
235.13077	7.0
236.10022	2.4
239.17987	2.4
241.19501	1.3
243.13885	1.6
245.11865	1.3
247.13260	1.2
251.18111	1.0
253.08545	1.1
253.19424	2.1
259.20486	1.2
261.14841	1.5
269.18826	1.3
271.09674	3.0
281.08255	1.2
285.18320	1.3
287.12900	4.6
311.12860	2.1
313.10538	5.5
315.30576	1.1
329.10132	3.1
335.12640	1.1
341.13675	1.1
357.13428	5.5
375.30310	1.7
383.29401	17.3
384.29761	1.9
389.27002	4.7
393.31430	3.7
397.16379	4.2
405.31421	3.9
409.30899	1.5
411.32553	24.4
412.33139	1.7
421.16376	4.6
421.31247	1.8
423.32614	6.3
427.32031	2.6
437.30457	1.2
439.31976	2.3
441.33658	7.8
451.32016	2.4
455.31891	1.2
457.33096	68.2
458.33521	8.5
469.33237	27.4
470.33661	2.2
473.32272	1.2
475.22058	1.0
487.34427	13.7
488.34662	1.7
503.20212	1.4
521.26941	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	521.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18842	1.3
53.03943	5.7
55.01867	13.3
55.05511	35.2
57.03428	5.2
57.07073	58.6
59.04988	3.9
65.03941	2.9
67.05501	45.3
69.03426	2.7
69.07063	21.3
71.05003	6.4
71.08626	40.6
71.08994	2.7
71.30522	1.5
71.30980	2.0
72.07982	1.3
77.03956	1.3
79.05492	30.8
81.03408	14.8
81.07050	55.5
82.07401	1.8
83.01329	7.9
83.04980	11.2
83.08616	37.0
83.09105	2.2
85.02908	7.3
85.06528	2.9
85.10181	25.6
91.05473	23.8
93.07037	36.9
95.04960	9.8
95.08600	56.7
96.08955	1.2
97.02909	1.9
97.06516	7.6
97.10154	12.9
97.83328	1.2
99.04465	3.0
99.08068	1.9
99.11725	2.0
103.05472	1.9
105.04549	1.4
105.07036	16.4
107.04940	12.5
107.08595	18.8
109.06505	7.8
109.10148	22.0
111.04445	3.2
111.08089	3.1
111.11728	5.7
113.06021	1.7
117.07037	7.7
119.08580	14.3
121.06499	7.2
121.10130	17.2
123.08036	9.3
123.11694	9.2
125.09631	2.8
125.13258	2.1
129.07034	4.2
130.07787	1.7
131.08586	7.0
133.10143	5.9
135.08067	3.1
135.11684	20.0
137.05928	1.6
137.09589	2.0
137.13264	3.9
139.07614	1.4
139.11162	1.6
143.08615	2.6
145.10107	21.6
147.08081	4.5
147.11777	3.7
148.29887	1.4
150.78186	1.2
151.14801	1.9
153.12794	1.9
157.10121	2.2
163.11182	36.4
164.11655	1.5
165.09116	2.0
166.27281	1.5
173.09671	4.7
177.34538	1.2
181.12265	6.3
187.11308	1.3
191.10715	4.8
193.08688	2.0
193.12271	3.3
209.11720	13.6
211.09633	2.6
211.13210	2.7
221.08165	4.7
225.11299	6.3
227.12773	18.8
230.92725	1.4
234.86107	1.2
237.22357	1.2
239.23697	13.9
355.16028	1.4
383.14581	1.7
406.70911	1.3
519.66815	1.4
521.38373	100.0
522.38531	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	522.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	0.4
64.36262	0.4
69.03394	1.6
69.07046	0.5
70.16162	2.1
73.02910	0.7
79.05453	0.7
81.03395	0.7
81.07024	1.7
83.66163	0.5
85.02908	5.3
88.85639	0.5
91.05449	1.0
93.07039	1.0
95.08578	1.0
97.02865	1.5
97.06402	0.5
98.23290	0.6
107.08546	1.0
109.02900	0.6
109.10126	0.8
119.08589	0.8
121.10175	0.7
123.04284	0.4
127.03896	1.2
131.04892	0.7
135.11639	0.5
137.05945	2.7
145.04884	0.9
145.06493	0.6
149.05962	1.2
149.13182	0.8
151.03893	0.8
152.06082	0.5
163.14786	0.8
164.42665	0.5
165.06932	0.8
167.08488	1.2
173.05984	1.8
175.14819	0.7
177.05516	0.5
177.06940	1.1
177.98483	0.5
180.08601	0.7
181.15854	0.6
193.15929	1.1
195.08055	3.6
201.05440	0.7
205.06493	1.4
209.09621	0.6
212.08293	0.8
223.07562	6.4
230.80197	0.5
237.09050	2.4
239.06950	0.7
240.07806	2.2
250.06177	1.0
251.07028	9.7
255.10170	3.6
265.08621	5.6
267.06363	0.5
268.07312	14.7
279.10117	1.4
282.08951	2.3
283.09634	100.0
284.10037	6.3
293.08121	3.3
297.11227	8.3
307.09570	0.8
310.08234	0.6
315.12305	1.7
325.10687	46.1
326.10941	2.5
343.11752	72.4
344.12048	4.5
422.41153	0.5
523.17676	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	5.1
57.03421	4.3
57.97049	3.6
58.61592	3.8
61.02924	20.9
62.83183	3.4
65.15379	3.5
69.03423	16.2
69.62668	17.0
69.63089	6.4
73.02914	10.7
81.03416	5.8
85.02900	100.0
91.03943	30.2
97.02895	28.6
109.02907	8.5
127.03929	40.7
145.04965	49.9
163.06021	76.2
163.07288	2.2
204.33282	3.5
325.11188	6.9
344.07901	4.6
379.16333	4.1
504.02032	4.4
532.39075	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	522.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22055	3.9
55.01871	5.3
57.03442	6.0
61.02920	36.0
61.86675	3.8
62.03866	3.9
69.02834	12.1
69.03247	22.2
69.03492	21.4
70.06598	7.3
70.17289	3.6
72.44874	4.0
73.02933	7.1
76.63722	4.6
81.03398	5.0
85.02904	100.0
91.03964	35.1
93.16901	3.7
94.93010	10.3
97.02900	37.5
98.22462	7.8
99.04519	4.7
103.65314	4.0
109.02898	9.9
112.52241	4.2
120.28873	4.0
127.03918	57.7
140.03598	4.9
145.04953	67.0
163.06012	84.5
174.89685	5.5
175.11984	5.6
176.13776	3.9
212.85484	4.7
213.07642	3.9
325.11209	6.6
349.94922	4.5
390.91370	4.5
394.94287	8.5
418.92261	5.2
523.08417	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	522.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
55.01869	1.4
57.03431	3.6
61.02924	2.2
65.45348	0.4
69.03429	6.0
69.25880	2.8
69.26269	0.8
71.04982	0.9
73.02937	0.9
77.03941	0.4
79.05497	0.9
81.03421	2.7
85.02905	24.0
86.03204	0.4
89.78651	0.4
91.03940	1.4
91.05485	1.4
93.07037	1.7
95.04904	0.7
97.02895	7.8
99.04447	1.6
101.11082	0.4
103.05473	4.9
105.07028	4.2
107.04957	27.5
108.05261	0.4
109.02892	1.9
109.06520	0.5
109.59073	0.4
112.13698	0.4
115.03938	0.4
120.05813	0.4
121.06500	6.9
123.04478	0.5
124.05251	0.5
127.03943	4.9
129.05396	0.4
131.04918	3.6
133.06494	4.7
135.08073	5.0
137.05978	7.3
145.04958	5.9
145.06473	1.2
147.04453	0.5
148.05183	2.9
149.05983	6.7
163.06110	1.1
163.07535	11.1
165.09119	22.3
166.09369	0.5
168.92961	0.4
174.98383	0.4
175.07675	0.6
177.09099	0.8
180.08714	0.5
181.08598	100.0
182.08905	3.1
205.08569	0.5
234.55754	0.4
247.09718	0.5
263.21619	0.4
309.51682	0.4
522.20331	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.8
55.01861	1.7
57.03446	3.4
61.02921	3.3
64.89817	0.5
69.03428	7.0
69.38319	3.5
69.38667	0.7
71.04981	1.3
73.02894	0.8
73.04121	0.4
79.05469	1.3
81.03437	3.5
85.02901	28.8
86.03233	1.1
87.04435	0.8
91.03945	1.3
91.05478	1.5
93.07027	1.9
95.04970	0.6
97.02893	6.6
99.04425	1.3
102.22042	0.5
103.05466	5.5
105.07027	5.6
107.04947	32.5
108.05272	0.6
108.64709	0.5
109.02866	2.8
112.39880	0.5
117.06963	0.7
121.06503	9.0
123.04411	0.7
124.05217	0.6
127.03912	4.2
130.11546	0.5
130.93529	0.5
131.02216	0.5
131.04926	2.4
133.06470	4.8
135.08058	5.4
137.05980	7.4
140.18805	0.4
145.04956	4.2
145.06436	1.0
147.04434	0.6
148.05167	4.3
149.05981	8.0
151.07599	0.6
163.06166	0.8
163.07538	12.3
165.09113	22.2
166.09399	0.6
181.08588	100.0
182.08891	3.8
189.09074	0.9
247.09619	0.7
247.47041	0.5
325.13013	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.6
55.01866	1.2
55.05511	3.8
57.03437	0.5
57.07064	0.5
58.06598	1.3
59.07366	0.6
59.99090	0.3
60.08163	15.4
65.03970	0.3
67.04240	1.2
67.05505	6.9
68.05029	3.1
69.03411	0.4
69.05458	0.3
69.05811	4.3
69.07068	2.9
70.06116	0.2
71.04974	0.7
77.39527	0.2
77.62625	0.2
79.05058	0.3
79.05494	6.3
81.03397	0.3
81.07054	14.7
82.05315	0.4
83.04972	0.8
83.06077	0.6
83.08614	2.5
85.01127	0.3
85.06528	0.6
86.00662	1.1
91.05476	4.2
93.07035	4.8
94.05298	0.6
95.04964	2.6
95.06099	0.5
95.08602	5.9
95.09844	0.2
97.06510	0.9
97.10161	0.4
98.22623	0.7
99.01425	2.1
99.08099	0.4
100.02200	3.1
103.05486	0.4
105.07027	5.1
107.04951	2.0
107.06037	0.5
107.08588	3.7
109.06524	3.1
109.10148	1.7
109.89253	0.3
110.06911	0.3
111.05602	0.3
111.08079	0.9
113.01746	0.3
113.10777	0.6
114.02517	0.5
116.66985	0.2
117.07004	1.3
119.08561	3.7
121.06493	1.1
121.10136	2.3
123.08065	1.0
123.11718	1.2
125.01680	2.5
125.09617	0.5
126.02482	12.2
127.03259	48.4
128.03616	0.4
129.04797	0.7
129.07007	0.4
131.08566	2.3
133.06500	0.5
133.10136	3.0
135.08031	0.7
135.11659	1.1
137.05994	0.8
137.09604	0.5
139.03238	1.0
140.04080	0.3
143.02753	1.3
143.08556	0.7
145.04303	42.4
145.10126	1.5
146.04608	0.7
147.08031	0.3
147.11687	2.3
149.05965	0.3
149.09610	1.0
149.13261	0.7
151.03914	2.5
151.07512	0.4
151.11092	0.3
153.04720	0.5
155.08539	0.4
157.06677	0.9
157.10114	0.5
159.11665	1.1
161.09564	0.3
161.13245	0.5
163.07571	0.3
163.11189	1.1
163.14888	0.3
165.12758	0.7
166.13411	0.3
167.02785	0.7
168.81512	0.3
170.07465	0.7
171.02231	1.0
171.11673	0.5
173.05942	0.3
173.09602	0.3
173.13255	1.0
175.11043	0.3
175.12422	0.3
177.12743	0.4
184.09030	2.2
185.09816	23.9
186.10616	4.5
189.09019	0.4
191.14366	0.4
198.10597	0.7
201.12703	0.4
230.09598	0.3
237.14639	0.3
247.20515	0.3
250.30878	0.3
257.19055	0.3
265.07178	0.2
275.19986	1.9
293.21063	0.4
309.16318	1.8
314.11188	0.3
337.15897	0.6
394.00366	0.2
419.23599	6.4
420.23657	0.4
435.22919	0.4
463.22568	0.6
478.30957	100.0
479.31284	7.4
522.30115	3.1
522.40814	0.4
523.29462	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36455	1.3
55.05510	5.8
56.02547	1.6
57.07071	4.0
61.12178	1.3
61.25253	1.3
65.03927	2.2
67.05516	7.4
69.07061	7.6
69.12426	1.6
69.50005	9.8
71.04957	1.7
79.05492	4.4
81.07050	18.2
83.04988	1.8
83.08635	5.0
85.06557	8.7
91.05491	7.0
93.07046	15.7
95.08598	19.4
97.06550	2.6
97.10175	3.0
105.07033	15.1
107.04976	3.4
107.08585	25.6
109.10154	13.1
111.08112	2.5
117.07040	4.0
118.20812	1.8
119.08575	17.8
121.06510	3.6
121.10125	29.9
123.08074	3.7
123.11730	8.6
129.06990	1.9
131.08566	11.3
133.06549	1.5
133.10139	14.7
135.08072	4.5
135.11696	11.7
137.05962	5.1
137.09627	2.5
137.13242	13.4
139.07478	1.8
143.08583	8.0
145.10118	17.5
147.08063	2.5
147.11690	11.8
149.09599	5.8
149.13246	21.6
151.03911	46.9
151.05026	4.8
151.07521	4.0
151.14830	4.0
152.04213	1.8
153.09172	2.8
157.10158	8.4
159.08043	2.3
159.11702	13.9
161.09567	2.0
161.13235	9.2
163.11163	5.6
163.14845	10.3
167.10670	1.7
169.10139	2.5
171.11687	9.9
173.09680	2.8
173.13176	9.2
175.11194	6.3
175.14874	3.7
177.05536	2.0
177.12744	11.0
177.16405	8.1
179.14452	2.3
181.10106	1.5
181.12253	3.5
183.11716	6.2
185.09729	2.6
185.13237	15.5
187.11183	3.9
187.14786	9.1
189.12715	8.4
189.16376	2.6
191.14342	5.4
195.11748	1.6
197.13266	4.3
197.15298	3.1
199.11142	1.7
199.14828	7.4
201.12717	3.1
201.16321	2.2
203.14316	6.6
205.15923	3.8
211.14825	2.1
213.16444	2.1
215.14302	4.4
217.12209	2.3
217.15887	7.4
219.17435	7.3
223.13174	10.1
225.16548	2.9
227.17813	2.3
231.13748	2.9
233.11530	1.9
233.15302	2.5
235.13185	2.8
237.16534	1.8
239.18117	1.7
245.15370	2.3
249.16342	1.8
253.15634	1.7
253.19563	1.9
263.16290	7.2
283.20551	3.5
286.74158	1.8
293.22665	2.3
311.20142	2.6
313.10580	2.0
329.21130	4.7
334.22772	2.1
335.27356	2.5
343.22577	3.3
353.28366	7.9
377.28360	22.1
378.29074	1.8
379.77069	1.7
387.44199	1.6
395.29468	58.5
396.29977	4.0
399.28931	27.2
405.27606	2.4
413.30490	33.9
414.30569	2.1
423.28787	16.1
424.28903	1.9
441.29996	69.3
442.30420	6.5
459.31033	100.0
460.31387	7.6
476.34378	2.0
478.31000	1.9
487.30219	4.7
522.27466	3.8
523.29108	13.2
548.87152	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.4
55.01880	1.9
55.05503	3.2
57.03433	1.0
58.73226	0.9
61.16858	0.9
65.04992	1.0
67.05505	7.6
69.03428	1.4
69.07076	6.4
69.56398	1.0
71.13473	0.9
71.32114	1.4
79.05479	5.3
81.03439	1.7
81.07062	12.9
83.04971	1.7
83.08616	3.1
85.02898	2.2
91.05492	7.4
93.07036	14.1
95.04966	2.8
95.08600	16.8
96.09014	0.9
97.02905	1.1
97.06518	3.3
97.10173	1.4
99.04423	1.2
103.05448	2.2
105.07031	10.5
107.04964	3.2
107.08597	18.5
109.06506	2.5
109.10155	9.9
111.04402	1.6
111.08088	1.7
117.07029	2.4
119.08570	15.4
121.06493	2.9
121.10138	15.8
122.10471	1.0
123.04417	3.5
123.08073	2.0
123.11700	7.5
125.05981	2.7
129.06960	1.3
131.04939	1.0
131.08543	5.5
133.06494	2.6
133.10118	12.3
135.04395	1.6
135.08070	2.4
135.11684	15.8
137.05952	7.1
137.09636	1.8
137.13261	2.5
139.07524	1.9
141.05402	1.2
143.08600	4.7
145.06470	2.1
145.10133	5.9
147.04391	1.9
147.08061	1.9
147.11676	8.6
149.05966	1.5
149.09613	2.6
149.13222	5.1
151.03908	58.3
151.04993	3.6
151.07538	4.1
151.11172	1.5
152.04266	2.8
153.05482	3.9
157.10120	3.3
159.08058	2.3
159.11728	7.3
161.09584	2.0
161.13260	6.4
163.07535	3.5
163.11182	2.4
163.14816	3.7
165.05516	1.6
165.09140	2.1
167.07083	1.8
169.10091	1.2
171.11673	3.2
173.05716	1.2
173.09633	2.1
173.13271	4.0
175.07480	1.7
175.11270	2.2
175.14854	4.4
177.09045	1.8
177.12823	1.0
177.16396	2.4
183.11691	2.2
185.13248	2.4
187.11153	2.9
187.14798	3.9
189.09084	2.5
189.12759	1.5
189.16452	5.9
191.10681	3.7
191.17929	9.0
193.04994	8.4
193.08580	1.5
197.09500	1.2
197.13293	1.3
199.11061	1.3
199.14842	1.7
201.09088	1.6
201.12827	1.3
201.16373	3.3
203.10661	3.5
203.14368	1.7
203.17981	3.4
205.08485	1.4
205.12166	2.4
205.15811	1.0
207.17430	2.0
209.13235	1.3
213.09068	1.2
213.16330	2.0
215.10678	1.8
215.17865	1.4
217.12244	2.5
217.19434	2.3
219.10194	1.8
221.11676	1.1
281.22693	1.1
313.10733	2.3
343.15439	2.9
377.28229	1.3
381.27740	1.6
395.29324	2.1
399.32706	2.9
405.27448	2.1
420.51614	1.1
423.28491	5.3
425.30453	4.3
427.28458	3.6
441.29883	7.0
443.31662	7.2
451.28323	2.8
459.30344	1.2
461.32504	2.3
469.29483	100.0
470.29849	10.6
478.31128	2.0
487.30573	50.4
488.30850	4.1
522.27631	4.4
523.29486	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	522.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58831	0.1
55.05514	0.4
56.05034	0.6
57.03442	0.1
57.07066	0.1
58.06324	0.1
58.06630	0.5
59.07381	0.2
59.51305	0.1
60.08160	5.9
64.32265	0.1
67.05496	0.3
69.07072	0.5
69.26641	0.5
69.27048	0.2
70.06588	0.2
71.07372	3.5
79.05477	0.2
81.07059	0.4
83.08669	0.2
86.09701	32.4
87.10017	0.4
93.07037	0.2
95.08595	0.4
96.39095	0.1
97.06535	0.1
97.10185	0.1
98.98461	3.7
104.10741	3.1
107.08597	0.1
109.10152	0.2
119.08598	0.1
121.10165	0.1
124.99995	22.3
126.00336	0.1
135.11792	0.1
143.01056	0.2
163.45502	0.1
184.07332	100.0
185.07706	1.4
258.10956	0.2
339.28937	0.2
504.34589	1.0
522.28882	0.1
522.35663	1.3
523.30902	0.5
523.39148	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.355
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36346	0.3
55.05509	2.1
56.05027	1.5
57.03423	0.5
57.07050	0.4
58.06560	1.4
59.07381	0.5
60.08160	16.9
63.82456	0.3
64.34283	0.3
67.05499	1.3
69.07071	1.9
69.25403	2.1
71.07366	6.6
79.05462	0.6
81.07045	1.4
83.08599	1.3
86.09700	51.2
87.10027	0.7
93.07020	0.8
95.08605	1.1
97.10176	0.6
98.98453	4.7
104.10735	100.0
105.11056	1.4
106.32117	0.3
109.10147	0.6
121.10129	0.8
124.99992	28.9
126.00323	0.3
135.11685	0.5
157.49364	0.3
163.01430	0.6
184.07326	99.3
185.07756	1.9
190.65416	0.3
258.11047	1.0
339.28943	1.1
445.27383	0.4
504.34384	7.2
505.34781	0.8
522.35510	22.0
523.36029	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	523.1444
Annotation	Quercetagetin 6,3',4'-trimethyl ether 3-glucoside
Peak:m/z	Relative Intensity
52.63733	0.2
65.03995	0.2
65.95196	0.2
69.03483	0.4
70.59634	0.4
79.05525	0.2
85.02942	0.5
90.43039	0.2
91.05504	0.4
95.05061	0.3
95.08669	0.2
96.40182	0.2
97.02877	0.3
103.05523	0.3
105.07105	0.3
107.05034	0.2
108.61261	0.2
115.05478	0.2
121.02931	0.3
121.05709	0.2
121.06562	0.4
122.03693	0.3
123.04427	0.3
124.05262	0.3
127.04016	0.3
135.04567	0.3
137.05980	4.0
137.09639	0.2
138.03162	0.4
139.00391	0.3
144.06754	0.2
145.02921	0.3
149.02393	0.3
149.06110	0.3
151.03903	4.4
151.07590	0.5
153.01909	0.7
161.06052	0.7
163.07599	0.7
165.09158	1.5
167.03558	0.2
167.07164	0.8
177.05498	1.3
179.07166	0.3
181.05048	0.4
181.08607	0.3
183.03018	1.0
199.02455	0.9
203.10809	0.2
205.05006	0.5
215.03481	0.7
215.89342	0.2
219.06535	0.4
229.04971	0.5
232.03760	0.7
232.75917	0.2
233.04320	1.0
243.03006	0.6
247.06001	2.2
256.18661	0.2
257.04483	0.9
258.05145	0.3
259.06097	0.4
259.91321	0.2
260.03064	1.6
261.03976	0.8
272.03107	0.2
273.07507	0.4
275.05478	7.0
276.05807	0.2
285.03815	0.3
285.11301	0.2
287.05426	0.7
288.02582	0.8
288.87021	0.2
289.07068	0.3
297.11292	0.5
303.04953	12.4
304.05402	0.6
314.04257	0.3
316.02100	2.5
317.06271	0.4
318.07056	0.5
327.12259	0.3
329.06577	0.4
330.03641	0.3
331.04443	26.3
332.04822	1.6
345.06073	1.3
346.06796	49.9
347.07196	2.6
359.22147	0.2
361.09143	100.0
362.09470	6.2
483.48828	0.3
522.27472	0.4
523.14203	7.9
523.26172	1.1
524.14728	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1786
Annotation	Bipinnatin M
Peak:m/z	Relative Intensity
53.03967	0.2
67.05484	0.2
69.13515	0.9
69.13940	1.4
91.05497	0.3
123.04464	0.3
125.02113	0.3
135.04434	0.8
137.05975	3.0
139.03714	0.4
140.04396	0.3
141.05266	0.4
151.03923	0.5
151.07544	0.4
153.05415	0.3
163.07582	0.3
167.07036	1.4
169.04723	1.5
181.08592	0.5
185.04202	2.6
189.09154	0.3
201.05197	2.8
202.05637	0.2
216.07562	16.1
217.08260	2.1
227.05266	0.9
249.43724	0.3
267.08435	0.9
269.06348	0.5
287.07224	0.3
301.31332	0.3
311.07318	0.3
313.09012	0.4
329.08398	5.7
361.09290	0.6
365.43613	0.3
379.13522	2.1
421.14606	0.7
431.16394	0.3
461.17776	4.3
462.18008	0.6
463.15750	2.6
492.15958	0.4
493.16718	0.4
505.17120	0.6
523.17822	100.0
524.18237	7.2
524.24890	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.3
71.34356	0.4
73.11915	0.3
75.77319	0.3
76.31905	0.3
81.07050	0.5
85.02899	0.5
86.23407	0.3
91.05475	0.6
92.20751	0.3
93.03343	0.3
95.04984	0.3
95.08611	0.4
103.05415	0.3
105.06994	0.5
107.04953	0.5
115.05417	0.3
119.04931	0.4
119.08604	0.4
121.10149	0.4
131.04926	0.6
131.08551	0.4
131.77309	0.3
133.06390	0.3
137.05986	3.3
147.04381	0.8
151.03882	2.3
151.07579	0.6
153.01793	0.5
157.06554	0.3
161.05965	1.6
163.07501	0.7
165.05560	0.3
165.09125	0.6
167.07034	1.7
169.04736	1.0
173.05861	0.4
179.07045	0.4
185.04231	2.7
189.09149	0.6
193.08569	0.5
199.03497	0.3
201.05212	1.5
203.07040	0.7
204.07831	0.8
207.10066	0.4
216.07579	7.3
217.08385	3.0
227.05136	0.5
252.07391	0.3
267.08371	0.9
269.06360	1.0
279.10037	0.3
283.09692	1.6
284.09949	2.5
297.11108	0.3
313.09015	0.4
325.17920	0.3
326.11017	1.2
329.08411	5.9
331.04694	0.3
343.11560	1.0
344.11926	1.6
346.07083	0.5
360.24371	0.3
361.05365	0.5
361.09305	1.1
379.13568	2.8
397.60867	0.3
421.14401	0.7
461.17734	5.9
462.18121	0.6
463.15863	3.3
487.15747	0.4
505.17188	0.8
505.23959	2.0
523.17841	100.0
524.18134	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.5
53.03944	0.8
55.01870	0.6
55.05517	0.8
57.03448	0.5
61.02902	0.5
65.03938	0.6
67.05501	1.2
69.03428	2.8
69.07063	0.6
69.35345	1.8
69.35767	1.5
71.04977	0.7
79.01845	4.1
79.05487	1.8
81.03407	6.2
81.07054	2.5
85.02885	3.4
85.06541	4.8
91.05445	2.4
93.07047	3.3
95.04954	1.4
95.08588	2.9
97.02895	5.0
98.23283	0.6
99.04472	1.0
103.92142	0.5
104.07745	0.5
105.07030	6.6
107.01312	1.8
107.08590	1.8
108.33607	0.5
109.02864	4.8
109.06500	0.7
109.10148	1.1
111.04456	0.7
112.66249	0.4
115.05445	0.7
117.07019	0.6
119.08570	10.2
121.06514	0.7
121.10130	6.9
123.04425	0.6
125.02337	4.1
127.03911	6.6
131.08546	3.4
133.06479	0.6
133.10115	12.8
133.11130	0.6
135.07953	0.8
135.11681	1.6
137.02383	0.6
137.05963	2.7
138.90941	0.5
139.03883	0.7
140.04668	1.7
143.03366	4.5
143.08548	1.1
145.04942	0.8
145.10112	2.3
147.04381	0.9
147.11668	0.7
149.05925	0.7
151.03868	1.3
151.07565	0.6
151.11174	1.3
153.01816	100.0
153.02870	4.7
154.02165	2.0
155.07010	1.1
157.10124	0.8
158.10892	0.7
159.08061	0.5
159.11668	1.1
161.05954	0.9
161.09613	0.6
161.13248	7.1
163.03970	0.6
163.07507	0.6
163.14847	0.6
171.02896	8.7
173.13251	4.6
175.14839	3.1
179.14291	5.6
181.04945	2.4
182.33737	0.5
191.14232	2.4
193.15866	0.8
195.11700	0.7
201.12729	0.6
203.14301	0.8
205.04973	0.5
208.07339	0.8
209.15327	0.6
215.14348	0.8
219.13835	1.5
225.07533	0.7
245.15376	0.8
245.27983	0.5
255.04967	0.7
279.08771	1.0
281.15366	0.6
297.06049	3.4
297.08951	0.5
299.16309	1.7
315.07016	5.8
317.17465	1.0
335.18610	0.8
361.09161	0.6
469.18103	0.7
487.19492	1.4
523.11768	1.2
523.18951	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2174
Annotation	Macarangioside E
Peak:m/z	Relative Intensity
58.74712	2.5
65.03930	2.9
67.05500	6.2
69.03428	12.6
69.07063	3.2
71.05000	3.3
71.32589	4.3
79.01858	2.9
79.05491	12.1
81.03410	15.5
81.07056	14.7
83.04972	3.5
85.02904	12.0
85.65565	2.7
91.05466	14.8
93.07042	14.5
95.05007	3.3
95.08588	8.6
97.02879	9.2
97.06549	4.0
103.05481	4.8
105.07035	13.2
107.04961	10.0
107.08585	26.8
109.02876	11.4
109.06518	7.2
109.10142	5.8
115.05427	2.9
119.04982	3.0
119.08623	7.0
121.06518	7.2
121.10133	20.9
122.07296	4.4
123.04435	3.4
127.03880	12.0
131.04939	2.9
131.08559	6.0
132.10098	2.3
133.10127	100.0
134.10405	4.7
135.08063	11.7
135.11719	3.0
137.02318	21.3
137.06010	16.9
137.09604	42.3
143.03418	4.5
143.08562	2.8
145.04909	3.1
145.06546	3.7
145.10069	3.1
146.07234	2.6
147.04382	6.6
147.08022	4.1
149.06000	4.6
149.09576	4.5
149.13261	14.7
151.03909	4.2
151.07585	9.9
153.01831	97.3
153.03055	5.9
155.03329	3.0
159.08064	2.9
161.06001	7.6
162.06676	4.0
163.03923	5.1
163.07585	5.9
163.11205	3.1
165.12715	2.7
167.07030	8.4
169.08701	2.9
171.02936	11.4
173.06049	4.1
173.13261	4.2
175.07523	4.6
177.09068	7.6
178.09886	10.1
189.48016	2.9
191.12758	4.3
191.14310	44.1
203.06989	2.6
205.08459	3.8
206.10909	2.6
207.06606	3.8
207.13826	3.6
209.15445	3.0
211.09691	2.8
233.08116	3.4
249.09180	2.6
254.06180	2.6
262.66861	2.9
263.13409	2.8
297.06189	7.1
298.12195	2.5
299.12836	9.3
315.07123	8.0
325.14493	3.2
326.14883	2.6
327.12241	8.5
353.25708	2.7
459.07910	3.2
462.23105	2.7
474.12491	2.6
475.36993	2.6
482.27426	2.4
523.19946	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	523.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12361	1.4
55.01870	2.7
57.03434	4.5
57.32251	1.6
69.03441	15.2
69.04155	17.7
71.77227	1.7
73.02931	2.8
73.07327	1.5
74.32076	1.9
79.05492	4.4
81.03415	15.3
81.07057	2.1
85.02897	14.0
90.40440	1.5
91.05473	7.7
94.04203	2.6
95.04961	8.7
97.02900	6.0
99.04434	2.6
103.03947	2.7
103.05463	12.0
105.07042	5.8
107.04933	10.0
108.05721	2.0
109.02875	5.1
111.04430	2.0
115.03948	2.1
115.05466	4.7
117.07018	3.3
119.04932	11.8
119.08622	3.3
121.06519	4.0
122.03696	4.8
127.03886	10.3
128.06224	3.9
129.07011	8.2
131.04919	17.9
131.08583	1.9
133.06511	7.6
135.04463	2.5
135.08095	2.4
136.05196	1.9
137.05974	100.0
138.06345	4.2
141.07048	2.3
143.04889	2.1
143.08546	2.6
145.05179	1.9
145.06505	7.5
147.04419	27.1
147.08035	3.2
148.05190	2.6
149.06006	10.0
151.03932	2.9
151.07538	56.6
153.01855	3.9
155.08665	2.2
157.06526	7.6
159.08083	3.1
160.05232	2.2
161.06000	15.6
161.09616	2.9
163.03920	3.0
163.07549	27.0
164.04335	1.8
165.09114	5.4
167.07079	9.9
167.08354	1.7
169.06534	3.2
171.08096	4.1
173.09647	2.0
174.06749	3.3
175.07535	19.7
177.05486	13.5
177.09128	7.0
179.07045	29.3
179.10635	2.5
181.06598	2.0
181.08588	2.4
187.07591	6.0
189.09084	16.5
191.07034	10.6
191.10677	2.8
193.08615	4.0
195.08206	3.8
195.10185	4.5
197.06078	1.8
199.07550	3.3
199.17516	1.6
201.09114	8.0
203.07062	6.9
203.10660	3.5
205.08591	3.8
207.10172	15.8
209.04440	2.8
209.08127	2.1
213.08987	3.0
215.07065	5.5
217.08607	3.0
219.10220	3.7
221.08168	1.9
223.09610	1.7
225.11194	3.3
227.07066	2.0
229.08571	6.6
231.10237	6.1
233.08057	2.7
245.08174	2.8
245.11679	2.6
247.09804	3.1
249.11307	6.1
255.10150	2.0
257.08047	1.9
273.11215	9.2
275.12689	5.3
291.12329	12.6
297.11234	2.0
299.12775	1.9
325.14117	2.3
343.15298	4.9
445.16147	1.8
469.18387	1.8
473.16013	3.4
505.17484	1.8
523.18549	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	523.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.9
53.56750	1.9
55.01869	4.2
57.03428	3.1
63.60582	2.0
69.03425	13.5
69.87620	2.0
71.04996	2.2
71.31510	1.9
73.02916	3.0
78.29646	2.1
79.05495	7.2
81.03429	15.0
85.02907	14.4
91.05486	15.2
94.04198	3.2
94.84595	2.3
95.04967	7.0
97.02907	6.0
99.04448	2.5
100.78246	2.0
103.03978	3.4
103.05470	16.3
105.04520	2.2
105.07011	5.1
107.04955	6.1
109.02887	3.2
111.04408	2.1
115.03947	3.7
115.05456	4.1
117.07011	5.1
119.04921	11.2
119.08572	2.1
121.06529	3.9
122.03659	6.3
127.03922	7.1
128.06256	3.5
129.05481	2.4
129.07022	7.7
131.04926	21.3
133.06471	6.7
135.04428	3.7
135.08078	3.2
136.05183	2.4
137.05984	100.0
138.06331	2.4
141.07091	2.9
143.03452	2.6
143.08554	2.5
145.06526	5.0
147.04419	23.8
147.08073	2.5
148.05058	2.9
149.06000	8.9
151.03912	6.1
151.07558	46.4
153.01805	3.6
157.06465	2.9
159.08076	3.2
161.05980	16.0
161.09497	2.8
162.06705	1.9
163.07542	35.5
164.08272	2.4
165.09140	4.9
167.07047	6.8
169.06496	2.4
171.08018	4.1
174.06754	4.3
175.07535	18.0
177.05470	11.0
177.09129	14.0
179.07019	24.4
179.10698	2.8
181.06523	3.2
181.08669	2.8
185.09706	3.0
187.07573	8.1
189.05420	2.8
189.09108	18.2
191.07072	10.4
193.08568	5.0
195.08125	2.6
195.10143	4.4
197.06071	2.4
199.07527	2.8
201.09148	6.2
203.07025	8.0
203.10710	5.7
205.08681	4.2
207.10132	14.9
210.72983	2.2
210.75420	2.0
213.09126	3.5
215.06982	4.6
217.08624	7.2
219.10168	4.3
221.08127	3.7
225.11218	4.6
229.08670	3.8
231.10204	4.4
233.07919	2.2
241.08568	4.6
245.11671	2.6
249.11389	5.0
267.74014	2.1
273.11221	8.2
275.12686	3.4
291.12280	13.6
297.11182	3.6
299.12967	2.6
343.15411	5.8
523.17822	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03175	0.2
53.03940	0.7
55.01860	0.6
55.05507	0.2
65.03938	2.1
67.05507	2.5
68.56033	0.2
69.07071	0.4
71.32059	0.2
77.03923	0.3
79.05487	0.7
81.03414	0.4
81.07077	1.1
82.56990	0.2
83.08620	0.3
85.02888	0.3
91.05464	1.6
93.07043	0.8
95.04961	1.5
95.08599	0.9
97.06519	0.3
97.10192	0.3
103.05469	0.9
104.94604	0.2
105.04517	0.3
105.07060	1.0
105.07648	0.2
107.04947	1.3
107.08596	0.5
108.02102	2.6
109.02872	0.4
109.06522	0.3
109.10186	0.5
111.04433	0.6
112.01562	0.4
117.07019	0.6
119.04944	0.4
119.08573	0.6
121.03962	0.3
121.06511	0.4
121.10165	0.6
122.03650	0.2
123.04400	0.9
123.08101	0.2
123.11728	0.3
129.06960	0.4
131.04918	0.8
131.08585	0.8
133.06485	0.3
133.10153	0.4
135.04445	0.3
135.08060	0.4
135.11742	0.4
136.01572	0.6
137.05986	2.0
139.07512	0.6
141.05472	2.4
143.08510	0.2
144.05521	0.2
145.06487	0.5
145.10117	0.4
147.04451	0.4
147.08028	0.2
147.11725	0.2
148.05261	0.2
149.05968	0.6
151.03909	100.0
151.04991	8.1
152.04263	2.3
152.05376	0.3
153.09064	0.2
159.08026	1.5
159.11740	0.4
161.06003	0.6
162.06645	0.2
163.07552	1.4
163.11130	0.2
163.14804	0.3
163.46342	0.2
164.08379	0.3
165.09177	0.4
167.07048	2.2
168.92018	0.2
173.09724	0.2
173.13272	0.3
174.06747	0.3
175.07562	0.3
175.14645	0.2
176.08209	0.2
177.05518	0.2
177.08968	0.3
179.07048	0.6
184.31064	0.2
185.27406	0.2
189.05544	0.5
189.09111	0.5
189.16397	0.2
191.07034	0.2
191.10672	1.5
191.17897	0.3
193.08630	0.7
197.08104	2.7
201.09085	0.3
204.07788	0.2
207.10182	0.7
209.07927	0.2
217.08673	0.2
219.10132	2.4
227.07043	0.2
229.12323	0.2
242.09322	0.2
245.08118	0.4
253.08691	0.2
257.11737	0.7
259.09311	0.2
293.11530	0.3
313.10815	1.5
325.14392	0.5
326.15219	1.0
331.11865	0.6
343.15424	3.5
343.19382	0.4
363.15860	0.3
381.17032	0.8
470.29718	0.5
487.30362	0.2
488.30316	0.3
504.67880	0.2
505.21677	0.3
523.30237	4.7
524.30054	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66013	0.3
52.83237	0.2
55.05514	0.3
58.49682	0.2
67.05497	0.3
69.41091	1.5
79.05492	0.4
80.33307	0.2
81.07043	0.5
88.27700	0.2
91.05459	0.4
93.06994	0.3
101.66542	0.2
105.07033	0.4
107.08588	0.3
109.10188	0.3
126.75475	0.2
127.03230	0.3
128.06216	0.2
137.05940	0.8
151.03889	0.6
178.42229	0.2
179.03285	0.3
181.04959	0.9
203.05305	1.0
216.03618	0.3
259.07874	1.3
287.16129	0.5
318.88239	0.2
331.09967	0.3
343.18784	0.2
361.19775	3.1
496.40500	0.2
523.25043	100.0
524.25397	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	523.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.7
57.92247	0.3
67.05499	1.3
67.11803	0.3
68.26685	0.3
69.07074	0.4
69.54730	0.3
71.32543	0.3
79.05475	0.7
79.83775	0.3
81.07053	2.2
83.08627	0.8
85.06533	0.4
85.83869	0.3
91.05476	1.9
93.07072	1.3
95.04984	0.7
95.08589	2.0
97.06570	0.6
97.10150	0.4
105.07037	1.4
107.04972	1.2
107.08620	1.4
109.10160	0.8
111.04497	0.3
117.07035	0.5
119.04955	0.7
119.08607	1.2
121.10173	1.4
123.11756	0.6
125.09621	0.4
131.08589	0.6
133.06535	0.4
133.10124	0.8
135.08061	0.4
135.11722	0.6
137.05971	2.6
137.13277	0.5
143.08607	0.6
145.10194	0.7
147.04436	0.9
147.08130	0.6
147.11668	0.7
149.05930	0.6
149.09659	0.4
151.03912	6.9
151.05014	0.6
151.07515	2.5
152.04320	0.3
157.10187	0.6
161.06056	0.5
161.13200	0.4
163.07544	1.8
163.11133	0.7
165.09160	0.8
170.73315	0.4
175.07635	0.4
177.09103	0.7
177.16443	0.7
179.07123	0.6
187.14841	0.5
188.08249	0.5
189.16502	0.5
191.10629	0.6
197.09671	0.4
197.16301	0.3
203.10776	1.2
205.15979	0.9
209.13232	0.4
221.11763	0.6
229.12318	1.4
247.17033	1.0
248.58211	0.3
343.15427	0.4
363.15982	0.5
407.58066	0.4
425.34491	0.5
505.22122	0.7
505.31299	1.3
523.32452	100.0
524.32898	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	523.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34492	0.4
55.05507	0.9
60.40507	0.5
67.05497	1.5
69.07054	0.9
69.17529	0.6
69.17928	2.8
79.05495	1.0
80.68759	0.4
81.07057	1.7
83.08614	0.7
85.06541	0.4
89.19718	0.4
91.05464	0.9
93.07058	1.2
95.08622	1.6
96.79765	0.4
97.10195	0.5
105.07043	0.8
107.08594	1.0
109.10141	0.7
111.08086	0.6
117.07030	0.5
119.08590	1.0
121.10152	0.9
125.09704	0.6
137.05943	0.6
149.09589	0.6
151.03873	0.5
279.23132	0.5
505.29938	0.6
523.32361	100.0
524.32745	11.1
536.21619	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.8
61.70076	0.5
67.05502	1.2
69.07076	1.2
71.33811	1.1
81.07090	1.7
86.11062	0.6
89.63795	0.5
91.05481	1.0
92.63131	0.6
93.07053	1.2
95.08643	1.1
107.08602	1.4
109.10180	1.1
112.85125	0.7
119.08558	0.7
121.10162	1.3
145.10178	0.9
148.08766	0.6
158.48384	0.6
159.11693	0.7
191.94107	0.6
223.49364	0.6
335.21844	0.7
407.52579	0.6
487.32144	0.7
505.29990	0.8
523.32465	100.0
524.32867	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	523.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16779	0.2
55.05526	0.4
57.07087	0.2
67.05506	0.5
69.07082	0.6
69.15844	0.9
69.16276	1.2
79.05502	0.6
81.07068	0.4
83.01350	0.9
83.37231	0.2
83.97346	0.2
91.05491	0.4
93.07060	0.4
95.08623	0.9
98.23264	0.4
105.07023	0.4
105.61491	0.2
107.08619	0.6
109.02028	0.2
109.10136	0.4
113.47443	0.3
119.08602	0.6
121.10157	0.3
125.09705	0.4
133.06505	1.1
133.10178	0.4
135.04416	0.5
135.11703	0.5
143.50746	0.2
145.10072	0.3
147.11687	0.3
151.03915	0.3
153.01869	1.1
157.16464	0.2
159.11755	0.4
173.13469	0.2
183.08195	0.2
207.64828	0.3
267.06461	0.3
285.07510	2.5
313.07053	3.8
314.07675	0.6
315.08548	0.7
335.21695	0.4
442.34164	0.8
479.31793	0.3
505.14990	1.0
505.29498	0.9
523.17029	2.1
523.32416	100.0
524.32861	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	523.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.4
55.05519	7.5
57.07087	3.5
67.05511	11.1
69.03419	5.7
69.07051	4.9
71.05014	4.1
71.32787	6.4
79.05507	12.5
81.03437	6.6
81.07052	25.7
83.08627	3.6
85.02906	7.5
85.06544	4.9
91.05476	14.4
93.07047	22.1
93.54211	2.9
95.04980	6.3
95.08600	21.1
95.85726	3.2
97.02921	5.7
97.06557	3.8
99.04461	3.5
100.31747	3.0
103.05482	13.5
105.07046	13.4
107.04961	6.0
107.08594	17.4
109.10179	13.4
117.07034	6.4
119.04977	3.2
119.08599	11.4
121.02900	3.5
121.06561	4.8
121.10155	10.2
123.04436	8.5
123.08075	4.5
123.11737	7.5
127.03905	3.3
128.06271	3.5
129.07027	5.1
131.04962	11.6
131.08609	4.4
133.10129	7.5
135.04420	6.8
135.11696	10.0
137.05977	32.1
137.13269	3.3
139.03951	3.2
143.08588	8.6
145.06454	3.5
145.10213	5.4
147.04430	3.3
147.08028	4.2
147.11742	6.0
149.05972	6.3
149.09666	4.7
149.13304	5.7
151.03925	14.0
151.07573	17.9
152.04259	4.2
153.01868	5.0
157.06544	4.5
159.11745	4.0
161.05988	6.6
162.79535	3.2
163.03868	4.2
163.07565	8.3
165.05458	3.0
165.09163	6.5
167.07085	16.2
171.08147	5.2
173.13336	5.1
174.06693	4.0
175.07584	8.0
177.09134	3.8
177.16472	3.4
179.07132	4.8
181.08644	4.3
191.07047	5.0
193.08653	3.8
195.11858	3.4
203.05374	3.3
203.10713	12.3
207.06509	5.4
215.95697	3.4
221.08092	7.9
221.11778	4.3
283.09747	4.9
286.12201	6.9
289.24939	3.0
303.04987	7.5
307.26456	4.1
327.12354	2.3
327.15918	53.2
331.04648	6.7
343.22214	14.4
345.13354	9.2
345.23938	8.2
346.06873	22.0
361.09155	52.0
362.09741	5.6
523.17310	5.8
523.20673	9.2
523.28894	100.0
524.29309	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	523.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13665	0.9
53.03955	3.5
55.01889	2.2
55.05251	1.8
55.05507	16.5
55.64563	0.9
57.03443	7.4
57.07076	46.3
58.07391	0.9
61.01900	0.9
65.03941	1.4
67.05507	40.0
68.05834	1.0
69.03423	1.9
69.07069	14.1
69.94883	3.0
71.04993	3.6
71.08630	35.2
76.04255	1.0
79.05492	18.3
81.03416	42.5
81.07053	46.1
83.04977	10.0
83.08618	34.2
85.02904	24.2
85.06536	2.0
85.10183	17.6
91.05477	25.2
92.14085	0.9
93.07040	13.2
95.04966	19.1
95.08604	37.1
97.02917	2.2
97.06534	3.0
97.10172	11.1
99.11723	1.4
105.07029	17.6
107.04974	3.3
107.08586	6.6
109.06528	4.3
109.10147	19.5
111.04482	2.1
111.08079	8.7
111.08591	0.8
111.11677	1.3
113.06042	2.5
115.05479	1.3
117.07033	1.9
119.04922	0.9
119.08569	17.0
121.10155	9.7
123.08102	1.6
123.11709	8.5
123.13610	0.9
124.53931	0.9
125.09631	1.5
129.07016	7.3
131.08539	8.8
133.06564	1.6
133.10138	8.9
135.11760	1.5
137.09624	1.7
137.13298	3.4
142.07790	2.4
145.10201	1.8
147.08026	2.0
147.11690	12.8
149.09642	4.8
151.14893	1.9
157.10130	9.0
165.12848	3.5
175.11171	11.6
187.76996	0.9
193.12238	56.5
194.12573	1.7
211.13289	57.9
212.13693	2.0
221.22690	2.0
239.23689	10.5
267.15915	5.2
313.27338	6.5
479.33759	1.0
505.38943	2.3
523.32953	3.9
523.39954	100.0
524.40222	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	523.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.7
55.01868	1.9
55.05512	16.3
57.03440	6.6
57.07074	37.8
59.04999	0.8
65.03942	1.9
67.05503	32.7
68.05827	0.6
69.03429	2.6
69.07066	12.1
69.25240	3.9
71.04998	3.3
71.08630	27.9
72.28808	0.5
79.05492	16.8
81.03416	38.9
81.07053	36.7
82.03761	0.9
83.04979	7.3
83.08615	24.9
85.02901	20.5
85.03417	0.8
85.06546	1.4
85.10179	15.1
87.04392	0.6
91.05475	20.2
93.07048	12.4
95.04966	16.0
95.08601	31.2
96.05299	0.7
96.08907	0.6
97.02901	1.5
97.06544	2.3
97.10168	9.2
97.87854	0.6
99.08074	1.3
99.11726	1.2
105.07030	14.4
105.07740	1.0
107.04951	3.5
107.08605	5.8
109.06534	3.2
109.10157	15.4
111.04460	1.8
111.08076	8.2
111.11722	1.3
113.06004	2.3
115.05486	0.9
117.07027	1.7
119.08565	11.0
121.06510	0.9
121.10137	7.3
123.08051	1.0
123.11700	7.5
125.09639	2.3
125.13274	0.8
129.06996	6.3
131.08565	6.4
133.06512	1.8
133.10126	6.0
135.08052	0.6
137.09630	1.1
137.13254	2.8
142.07809	1.5
145.10135	1.6
147.08047	1.4
147.11674	9.7
149.09624	4.4
149.33463	0.6
150.94191	0.5
151.14894	0.9
153.09090	0.5
157.10115	7.9
165.12727	2.9
165.16394	0.7
175.11163	10.7
189.11270	1.9
193.12233	48.0
194.12578	1.3
211.13281	53.5
211.77744	0.6
212.13614	1.1
221.22731	0.8
225.45140	0.6
239.23677	7.4
241.16599	0.5
249.14809	0.9
261.22272	0.5
267.15912	5.8
279.23141	1.2
285.16949	1.1
313.27338	5.5
341.10324	0.9
413.30807	0.6
431.31677	1.8
505.38840	2.5
523.39917	100.0
524.40271	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	523.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47607	2.5
52.25892	2.7
53.03942	6.3
55.01862	5.6
55.05506	27.5
57.03439	26.5
57.07079	58.1
65.03947	5.3
66.88625	2.8
67.05508	61.1
69.03419	5.2
69.07065	27.0
70.93535	3.0
71.02705	2.7
71.04993	4.7
71.08627	38.9
71.08988	3.9
71.31430	4.4
78.37228	2.7
79.05490	35.3
81.03422	100.0
81.07058	57.2
82.07396	3.4
82.19496	3.3
83.04997	9.4
83.08617	40.9
85.02892	15.2
85.06543	3.5
85.10179	19.9
86.09724	6.6
86.23276	3.2
91.05492	35.3
93.07046	29.4
95.04962	28.1
95.08614	54.2
97.06554	6.6
97.10188	10.8
99.08122	4.6
104.10728	16.4
105.07038	26.4
107.04960	7.7
107.08601	17.7
107.29526	3.1
109.06570	6.2
109.10160	29.0
111.04406	3.9
111.08088	14.0
111.11733	3.1
117.07011	3.8
119.08585	19.8
121.06544	3.7
121.10130	15.5
123.11694	9.2
124.99998	4.6
125.09602	4.7
126.28545	2.7
129.07013	9.5
131.08574	10.6
133.00833	2.8
133.06496	3.6
133.10124	13.7
133.79604	2.6
135.11703	9.8
137.09601	3.0
142.07739	4.7
147.08058	3.8
147.11682	12.5
149.09625	8.1
157.10118	10.6
175.11206	12.4
184.07362	20.3
193.12279	70.7
194.12561	3.5
211.13287	22.8
212.13652	3.6
222.14444	2.9
229.14275	3.9
239.23668	9.3
267.15891	49.6
313.27344	59.2
314.27536	4.4
335.25891	6.4
505.38867	24.5
523.40479	37.2
524.37506	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	523.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.8
55.01866	3.1
55.05509	19.2
56.05845	0.6
57.03433	9.0
57.07073	53.1
59.05006	0.9
65.03944	1.6
67.05502	41.0
69.03432	2.3
69.07065	16.5
71.04991	4.9
71.08628	38.8
79.05489	20.4
81.03412	54.3
81.07053	47.1
82.03773	0.8
82.07393	0.8
83.04981	9.2
83.08616	38.7
85.02900	28.7
85.06544	2.1
85.10180	22.7
87.04484	0.8
91.05473	27.3
91.06049	1.4
93.07037	14.2
95.04965	20.9
95.08599	41.1
96.08922	0.8
97.02873	2.7
97.06526	3.4
97.10165	10.8
98.23347	1.3
99.08096	1.8
99.11743	1.3
105.04530	0.7
105.07022	19.7
107.04956	5.5
107.08584	6.7
108.17374	0.6
109.06512	3.9
109.10150	17.8
111.04449	2.4
111.08076	11.2
111.11710	1.5
113.05988	4.0
113.13334	0.8
115.05432	1.3
117.07029	2.2
119.08570	16.3
121.06544	1.8
121.10135	10.9
123.08096	1.9
123.11711	9.6
125.09660	1.7
125.13287	1.2
128.06245	1.2
129.07004	8.2
131.08562	9.1
133.06494	2.2
133.10112	8.4
135.11693	1.3
137.09651	2.6
137.13190	3.8
142.07803	2.5
145.10104	1.6
147.08032	3.0
147.11676	13.0
149.09593	5.9
151.11278	0.7
151.14859	1.3
157.10132	13.5
163.11098	0.8
163.20036	0.7
165.12730	1.9
175.11186	14.1
175.12642	1.2
176.11537	1.1
193.12231	60.9
194.08856	0.7
194.12605	2.1
211.13280	63.7
212.13705	2.4
221.22701	1.5
229.14188	0.7
239.23686	9.8
240.23944	1.0
267.15942	6.0
285.16919	1.1
313.27371	6.7
505.38858	3.5
523.39923	100.0
524.40424	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	523.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.7
52.24928	0.7
53.03942	2.1
55.01860	1.7
55.05259	0.9
55.05513	14.9
56.19271	0.7
57.03432	6.7
57.07077	43.7
58.07399	0.9
59.57655	0.7
65.03934	2.0
67.05505	30.3
69.03431	2.7
69.07067	13.3
69.46764	2.2
69.47189	2.3
71.04987	3.2
71.08632	30.9
78.16076	0.7
79.05495	16.8
80.22705	0.8
81.03419	39.3
81.07056	35.8
83.04981	6.8
83.08618	25.9
85.02902	23.0
85.06544	1.7
85.10183	17.4
91.05486	19.8
93.07045	10.8
95.04971	18.3
95.08607	34.2
97.02888	1.6
97.06529	2.7
97.10169	9.3
97.10764	1.1
99.11749	1.0
105.07024	15.2
107.04964	4.4
107.08595	6.1
109.06517	2.8
109.10149	15.2
111.04455	1.4
111.08091	7.5
111.11722	1.7
113.06004	2.2
115.05489	1.0
119.08582	12.2
121.06555	1.0
121.10149	6.0
123.08099	1.9
123.11695	6.9
125.09624	1.1
125.13331	0.9
129.06998	7.0
131.08568	7.9
133.06490	1.4
133.10123	6.0
135.11705	1.0
137.09586	1.1
137.13258	2.5
142.07822	1.9
145.10159	1.3
147.08025	2.3
147.11681	8.8
149.09579	3.9
151.14824	1.3
157.10103	9.2
163.11139	0.9
165.12791	2.6
175.11189	13.3
183.13777	0.7
193.12236	48.1
194.12617	2.1
211.13287	51.8
212.13646	1.4
233.02180	0.7
233.93199	0.7
239.23712	9.1
267.15909	6.0
313.27365	6.8
337.96127	0.7
505.38733	3.6
523.39941	100.0
524.40295	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	523.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.7
55.01871	3.0
55.05510	25.1
57.03440	17.2
57.07077	60.4
61.33361	1.6
65.03951	1.8
67.05506	48.0
69.03424	2.2
69.07066	19.7
71.04982	6.1
71.08634	44.7
76.23200	1.4
79.05493	23.3
81.03419	100.0
81.07057	49.5
82.03764	1.5
83.04982	10.6
83.08627	32.5
85.02906	22.3
85.06523	1.8
85.10181	27.5
90.90482	1.7
91.05478	25.6
93.07046	18.7
95.04972	27.3
95.08025	3.0
95.08607	47.8
97.02911	2.8
97.06527	4.0
97.10165	12.5
98.22603	3.4
101.41286	1.6
105.07027	22.4
107.04954	7.1
107.08633	8.9
109.06532	4.8
109.10169	18.0
111.04408	1.8
111.08058	7.7
111.11706	2.3
113.06043	2.1
113.72009	1.3
115.05495	2.5
117.07053	3.1
119.08602	19.9
121.06506	3.5
121.10168	12.1
123.04430	1.5
123.08067	2.3
123.11722	7.1
129.07021	11.1
131.08562	9.1
133.06560	3.4
133.10150	7.2
135.11728	1.9
137.09663	3.8
137.13258	1.8
142.07741	2.5
145.10077	2.4
147.08023	3.6
147.11711	11.9
149.09630	5.2
154.27383	1.7
157.10114	11.5
165.12822	2.5
175.11183	15.6
193.12245	46.0
211.13304	28.4
229.31030	1.9
239.23778	6.4
249.14902	2.4
267.15909	27.2
268.11374	1.5
301.63205	1.8
313.27408	29.8
452.48071	1.6
505.38965	14.0
523.39948	48.1
524.40033	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28405	0.9
52.01071	0.8
53.03951	4.1
55.01874	2.6
55.05510	23.4
56.54049	0.8
57.03442	8.8
57.07075	62.2
58.07415	1.0
59.04999	1.3
65.03944	2.3
67.05505	55.1
69.03432	5.1
69.07068	20.9
71.04992	7.0
71.08630	44.8
71.09032	1.2
77.03949	0.9
77.30616	0.8
79.05495	31.6
81.03419	62.3
81.07056	61.4
82.07387	1.2
83.04974	14.1
83.08620	45.9
85.02907	29.0
85.06554	2.9
85.10182	25.4
91.05479	34.7
93.07043	21.1
95.04974	22.4
95.08606	51.8
96.08926	1.0
97.02902	2.2
97.06538	3.9
97.10171	16.0
97.10786	0.6
98.22580	3.0
99.08080	1.9
99.11729	1.7
105.07028	24.3
107.04967	5.0
107.08605	8.5
109.06506	5.5
109.09420	1.5
109.10158	25.4
109.10891	1.6
110.10547	1.0
111.04444	2.1
111.08083	11.3
111.11729	2.6
113.06014	3.4
115.05470	1.9
117.07037	1.9
119.04923	0.9
119.08582	18.9
121.06534	1.2
121.10143	8.7
123.08092	2.7
123.11705	10.7
125.05989	1.0
125.09641	3.6
127.11273	0.8
129.07002	8.9
131.08565	10.5
133.06487	2.4
133.10127	11.0
135.11679	2.4
137.09700	2.0
137.13243	4.3
142.07742	2.1
145.10117	2.1
147.08069	3.9
147.11693	14.6
149.09644	6.2
151.14851	1.8
157.10139	12.6
163.11267	1.3
165.12823	3.2
165.16422	1.9
175.11192	15.0
176.11478	1.0
189.11252	2.2
193.12241	66.2
194.12488	1.1
211.13287	68.7
212.13734	1.8
221.22821	1.4
229.16519	0.9
229.18700	0.9
239.23686	11.0
266.98932	0.9
267.15903	6.9
313.27411	7.8
505.38980	2.7
523.39984	100.0
524.40430	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	524.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
55.01867	3.0
67.05505	1.6
69.03426	6.2
69.24422	10.6
71.05009	1.4
73.02929	1.3
79.05518	2.3
81.03418	4.5
81.07057	3.5
85.02897	12.5
91.05495	3.5
95.04969	2.5
95.08613	2.0
97.02906	5.7
103.05469	14.5
105.07044	4.7
107.04974	4.0
107.08575	1.8
109.02904	1.9
109.06536	3.2
109.10223	1.7
115.05472	5.1
119.08606	1.2
121.06514	2.2
122.03671	1.8
123.04460	2.7
127.03931	3.0
129.07018	3.5
131.04932	11.2
133.06503	3.8
135.04424	3.2
137.05965	28.8
137.09633	3.1
143.04926	1.4
143.08580	1.7
145.05011	1.3
145.06451	2.5
148.05251	1.4
148.30756	1.3
149.05995	6.3
151.03912	10.7
151.07539	4.1
152.46783	1.3
157.06473	2.2
161.05974	96.4
162.06281	1.9
163.03958	1.4
163.07530	15.7
164.08347	11.4
165.05531	1.8
165.09134	5.3
171.08060	2.4
175.07542	24.2
175.10974	1.5
177.05476	7.1
181.04883	2.4
185.06038	2.2
188.08325	1.8
189.05441	1.6
191.07092	2.6
193.08653	1.4
195.06537	1.9
203.07019	36.0
203.10709	7.4
204.07477	1.7
207.08151	1.7
221.08038	8.7
221.11742	3.5
222.08339	1.6
225.09041	2.0
231.07986	2.2
235.07507	4.3
239.10698	2.4
249.09216	1.4
253.08577	3.4
256.07300	1.7
259.07687	4.4
267.10114	8.1
285.11203	14.3
291.10104	8.5
299.12894	3.9
309.11304	7.8
327.12228	55.6
328.12686	4.0
345.13315	100.0
346.13724	5.1
401.14511	1.3
419.37457	1.4
469.29285	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.6
55.01870	2.1
56.85228	0.5
57.03428	1.2
61.02914	1.3
65.03283	0.3
65.60615	0.3
69.03430	4.5
69.20505	0.3
71.35464	0.7
73.02908	0.5
79.05486	1.6
81.03424	2.4
81.07034	0.8
85.02416	0.6
85.02906	10.2
91.03970	0.6
91.05472	2.3
93.07059	1.2
94.04201	0.7
95.04945	0.8
97.02906	4.0
98.85937	0.4
99.04424	0.4
103.05470	14.8
104.06275	0.5
105.03401	1.4
105.07036	4.0
107.04337	0.5
107.04958	4.8
109.02905	0.8
109.06512	1.5
111.04424	0.6
115.05464	4.6
119.04971	0.8
119.08595	0.6
119.29678	0.4
121.06508	2.1
122.03650	1.4
123.04420	1.7
125.06002	0.5
127.03912	1.4
128.06239	0.7
129.07005	2.1
131.04930	9.9
132.05753	0.5
133.06479	4.2
135.04449	2.6
135.08051	0.9
137.05977	28.1
138.06352	0.7
143.04935	1.5
145.04968	1.7
145.06477	0.7
147.04405	0.8
147.08026	1.4
148.05202	2.1
149.05983	6.7
151.03900	11.1
151.05054	0.9
151.07521	3.1
153.05510	0.6
157.06496	2.2
161.05977	95.1
161.49316	0.4
162.06375	2.8
163.03911	0.6
163.07532	11.5
164.08327	12.4
164.66071	0.4
165.05455	1.3
165.09036	1.3
167.06978	0.6
173.06139	0.5
175.07547	16.3
177.05469	7.9
178.07816	0.4
179.07027	2.1
179.08606	1.0
180.08694	0.6
185.05951	1.6
190.65094	0.4
191.07037	2.2
195.06546	3.4
197.09624	0.6
199.47942	0.3
200.17949	0.4
203.07028	36.9
204.07353	1.5
205.08537	0.5
207.08041	1.7
211.07523	0.8
221.07968	4.1
221.11549	0.4
224.08272	1.7
225.09181	2.0
227.07159	0.5
231.08118	2.2
235.07507	4.1
239.10762	2.5
241.04977	0.4
249.09152	1.1
252.07788	0.9
253.08688	3.1
256.07309	0.6
259.07510	4.0
260.08310	0.5
263.10660	2.7
266.09558	0.7
267.10172	8.0
268.10614	0.4
270.08792	0.8
276.07773	0.6
277.08511	1.5
281.11761	0.9
285.11200	15.3
286.11432	0.7
291.10129	7.2
292.10571	0.4
294.08932	0.8
295.09528	0.5
299.12686	2.0
309.11197	7.0
310.11496	0.5
327.12244	51.1
328.12677	3.0
330.03860	0.4
345.13324	100.0
346.13617	7.0
368.38092	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.6
61.02914	1.0
67.05475	0.9
69.03440	1.5
70.35853	0.7
70.47454	1.9
79.05484	1.2
81.03400	2.5
81.07059	1.4
85.02892	4.3
91.05489	2.7
93.07036	2.5
95.04955	0.8
95.08615	0.9
97.02890	2.3
102.10468	0.8
103.05471	11.8
105.07042	3.7
107.04953	2.3
107.08567	0.9
109.02852	1.2
109.06507	2.3
109.10147	1.2
115.05454	2.7
119.08567	1.0
121.02859	1.1
121.06490	2.8
121.10138	1.6
122.03597	0.9
123.04408	1.9
127.03891	1.6
129.06982	1.8
131.04926	9.1
133.06485	2.0
133.10190	0.8
135.04411	2.2
135.08073	1.9
137.05975	25.1
137.09570	1.5
138.06311	1.4
143.04929	1.5
143.08566	1.3
145.04938	1.0
147.07956	0.9
148.05170	1.9
149.05966	4.7
149.09566	1.2
151.03879	8.1
151.07567	3.7
153.01837	4.9
154.02150	2.4
157.06474	2.2
161.05972	74.9
162.06371	2.7
163.07533	10.8
164.08322	7.1
165.05554	1.8
165.07021	4.0
165.09097	2.2
165.12769	2.2
166.13074	1.8
167.07010	4.6
171.08080	1.7
174.06865	1.0
175.07553	15.2
177.05453	7.9
179.07027	1.1
179.08488	1.3
181.04977	2.2
185.06078	1.3
191.07037	3.0
195.06537	3.1
203.07022	31.6
203.10486	4.9
204.07420	1.1
207.08087	1.3
209.15388	3.6
210.15686	3.2
221.08000	5.2
221.11699	2.7
224.08247	1.0
225.09061	1.2
231.08026	3.1
235.07556	3.7
239.10828	0.9
243.47324	0.8
244.30878	0.8
249.09088	1.1
252.07805	1.0
253.08582	1.9
259.07574	4.2
263.10651	2.8
267.10141	5.4
277.08530	1.5
285.11230	12.1
286.11343	1.0
291.10132	4.9
295.09540	1.2
299.12717	2.0
309.11084	5.4
319.12717	0.9
327.12247	41.5
328.12646	3.2
345.13312	100.0
346.13712	7.8
521.40503	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.6
61.02914	1.0
67.05475	0.9
69.03440	1.5
70.35853	0.7
70.47454	1.9
79.05484	1.2
81.03400	2.5
81.07059	1.4
85.02892	4.3
91.05489	2.7
93.07036	2.5
95.04955	0.8
95.08615	0.9
97.02890	2.3
102.10468	0.8
103.05471	11.8
105.07042	3.7
107.04953	2.3
107.08567	0.9
109.02852	1.2
109.06507	2.3
109.10147	1.2
115.05454	2.7
119.08567	1.0
121.02859	1.1
121.06490	2.8
121.10138	1.6
122.03597	0.9
123.04408	1.9
127.03891	1.6
129.06982	1.8
131.04926	9.1
133.06485	2.0
133.10190	0.8
135.04411	2.2
135.08073	1.9
137.05975	25.1
137.09570	1.5
138.06311	1.4
143.04929	1.5
143.08566	1.3
145.04938	1.0
147.07956	0.9
148.05170	1.9
149.05966	4.7
149.09566	1.2
151.03879	8.1
151.07567	3.7
153.01837	4.9
154.02150	2.4
157.06474	2.2
161.05972	74.9
162.06371	2.7
163.07533	10.8
164.08322	7.1
165.05554	1.8
165.07021	4.0
165.09097	2.2
165.12769	2.2
166.13074	1.8
167.07010	4.6
171.08080	1.7
174.06865	1.0
175.07553	15.2
177.05453	7.9
179.07027	1.1
179.08488	1.3
181.04977	2.2
185.06078	1.3
191.07037	3.0
195.06537	3.1
203.07022	31.6
203.10486	4.9
204.07420	1.1
207.08087	1.3
209.15388	3.6
210.15686	3.2
221.08000	5.2
221.11699	2.7
224.08247	1.0
225.09061	1.2
231.08026	3.1
235.07556	3.7
239.10828	0.9
243.47324	0.8
244.30878	0.8
249.09088	1.1
252.07805	1.0
253.08582	1.9
259.07574	4.2
263.10651	2.8
267.10141	5.4
277.08530	1.5
285.11230	12.1
286.11343	1.0
291.10132	4.9
295.09540	1.2
299.12717	2.0
309.11084	5.4
319.12717	0.9
327.12247	41.5
328.12646	3.2
345.13312	100.0
346.13712	7.8
521.40503	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
54.59716	0.7
55.01869	3.3
57.03435	2.1
59.47476	0.8
61.02928	1.7
67.05507	4.6
69.03436	4.6
70.13586	1.0
70.16799	2.9
71.04977	1.3
73.02908	1.0
79.05492	2.9
81.03419	2.8
81.07056	2.9
85.02904	15.6
87.04491	1.1
91.05481	7.0
92.72202	0.9
93.07058	2.1
95.04945	1.8
95.08611	3.3
97.02879	4.7
99.04445	0.9
103.04760	1.6
103.05463	25.0
104.06252	1.0
105.07051	8.0
106.04191	1.5
107.04956	8.9
107.08617	1.2
109.02878	1.7
109.10165	4.6
110.68424	0.7
115.05473	2.2
117.45028	0.8
118.04154	1.8
119.04946	3.4
119.08602	2.8
121.06513	6.0
121.10115	1.1
122.07282	1.7
123.04429	4.8
123.08085	1.2
123.11745	1.8
124.05206	1.5
127.03896	2.8
128.06232	1.4
129.06973	1.2
131.04927	24.0
132.05707	1.5
132.56775	0.8
133.06496	9.2
133.10237	0.9
135.04419	5.5
135.08029	6.3
137.05980	19.9
137.09604	11.2
143.04922	1.0
143.08577	2.8
145.05022	1.7
145.06496	2.4
145.10208	0.9
146.07285	1.4
147.04436	3.1
147.07993	1.6
147.28445	0.8
148.05211	2.4
149.05994	23.1
150.06732	2.8
151.03880	1.6
151.07549	8.4
161.05989	54.4
161.09543	1.9
162.06635	2.4
163.03899	2.7
163.07544	28.5
164.08339	57.6
165.05489	8.4
165.09119	100.0
166.09444	1.2
171.08064	2.4
175.07562	6.9
177.05432	2.0
177.09183	3.5
178.09892	2.9
179.07118	2.5
179.10713	2.0
181.04919	1.2
181.08571	2.8
188.08357	1.6
189.05498	9.6
189.09100	6.1
193.08614	13.9
193.10170	0.6
195.17519	0.8
203.07039	41.1
203.10745	3.7
204.07416	1.2
205.12375	1.2
207.06522	5.1
207.08310	0.9
207.10202	2.9
209.08125	10.6
221.08072	16.5
223.04219	1.8
223.13194	1.0
225.09193	0.9
235.07573	1.6
239.10672	1.1
257.08032	0.8
267.10187	3.0
268.11050	0.8
281.11798	1.5
285.11206	25.5
286.11719	2.0
299.12756	1.9
309.11411	1.7
309.14886	1.3
327.12302	97.1
327.15903	10.5
328.12683	5.4
337.23776	2.7
345.13290	2.7
345.17014	24.2
346.17337	1.2
425.30026	0.9
438.74344	0.9
489.32236	2.5
504.99011	0.9
524.29095	3.6
525.30731	1.8
539.12451	0.9
544.38934	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09151	0.8
53.73742	0.7
57.03402	1.0
61.02923	1.1
69.03414	3.1
69.18578	2.1
69.18982	4.9
79.05475	1.2
81.03400	1.6
85.02895	13.9
91.05470	2.0
91.34315	0.7
97.02868	3.4
103.05450	2.5
107.04930	1.1
115.05388	2.0
127.03929	1.2
128.05284	1.4
128.06183	8.8
129.06967	1.0
131.04916	2.9
131.08571	2.5
135.04436	0.9
137.05959	11.7
138.06296	1.9
143.08537	17.6
145.06493	2.1
145.10020	1.4
149.05940	1.3
151.03928	1.3
151.07538	2.4
153.01799	2.3
158.07269	1.1
159.04388	2.0
159.08040	2.4
160.05212	1.8
161.06000	7.7
162.06468	1.1
163.07541	4.5
164.08263	1.3
165.08990	1.4
167.07050	1.4
171.08043	23.1
172.08714	1.9
173.05986	2.4
173.09584	2.3
174.06734	10.7
175.07535	13.8
175.11166	0.8
177.05464	1.0
177.09065	1.2
188.08313	16.0
189.08929	1.3
191.10672	1.3
192.42581	0.9
203.07001	3.7
203.10654	100.0
204.11012	4.3
205.12224	13.0
206.12495	0.8
221.11702	49.1
222.12036	2.3
225.09102	1.0
232.13013	0.8
267.10001	1.0
285.11368	1.2
327.12228	4.4
330.03754	1.9
345.06097	7.2
345.13058	5.0
404.45343	0.8
453.15033	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.2
55.01871	1.6
55.05490	1.1
57.03434	1.0
67.05491	1.6
69.03422	1.0
69.98543	1.6
69.98922	1.5
79.05477	6.7
81.03407	1.4
81.07056	2.9
85.02911	4.9
91.05467	6.7
93.07031	1.9
95.04957	2.9
97.02901	0.8
98.23343	1.1
99.37924	0.8
103.05430	6.6
105.07022	3.7
107.04949	73.9
107.08598	2.4
108.05271	2.0
109.02876	1.1
109.10194	1.3
115.05447	4.4
117.07002	2.8
119.08578	1.8
121.06505	1.9
123.04403	0.9
127.07752	0.8
128.06239	1.3
131.04950	2.8
131.08469	0.9
133.06442	1.3
133.10143	1.3
135.08041	8.3
137.05959	7.4
143.08556	4.6
145.06522	1.5
145.07634	2.1
146.07301	1.2
147.04411	2.0
149.05948	1.7
151.03906	3.4
151.07552	2.0
152.04279	0.9
153.05457	9.8
157.10231	1.0
159.08089	0.9
159.11795	1.0
161.06010	0.9
161.09619	2.6
162.06714	1.2
163.07535	100.0
164.08333	8.3
165.09129	1.7
171.07988	4.6
175.07571	1.4
175.11232	1.1
179.07072	1.3
181.08568	1.7
185.09822	1.0
188.08224	0.9
188.99553	0.9
189.09068	6.2
191.10738	1.5
193.12294	0.8
203.10666	14.8
203.22324	0.9
205.12279	1.8
207.10054	1.0
221.11722	31.8
257.76480	1.0
264.51578	0.8
265.09714	1.0
327.12476	1.1
327.15964	10.4
339.13336	3.4
345.16949	3.2
363.60794	1.0
367.12811	1.8
399.15048	1.0
480.32404	1.4
492.21106	2.2
524.29211	3.7
525.30890	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	524.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28403	1.2
57.03424	1.7
60.36886	1.1
63.28653	1.1
69.03428	4.0
69.06407	6.4
69.06830	5.8
81.07047	1.6
85.02921	10.4
91.05491	4.7
93.07043	1.4
97.02908	2.4
98.23430	2.0
103.05461	3.0
105.07047	5.3
107.04958	4.8
109.06568	1.2
115.05455	3.7
117.07001	2.2
119.08640	1.3
121.06521	4.9
123.04424	4.4
127.03912	2.5
128.06241	3.2
131.04926	3.8
132.05661	1.3
133.06502	4.1
135.08046	2.1
136.05171	2.0
137.05942	7.0
143.08563	6.6
145.06482	5.9
146.07233	3.8
147.04396	2.9
147.08031	4.8
148.05191	3.0
149.05975	5.8
150.06760	2.6
151.07547	19.1
152.13707	1.5
161.05972	43.5
161.09619	7.5
162.06668	3.7
163.07524	10.9
164.08340	8.0
165.05432	3.3
165.09108	18.9
171.08049	5.0
174.06735	1.7
177.09111	12.6
178.09883	20.2
179.10689	9.7
181.08546	2.3
189.09106	30.9
189.10829	1.8
190.09500	1.4
193.08609	2.6
203.07098	3.3
207.10147	16.2
249.12563	1.4
253.12515	1.6
263.88422	1.4
268.10870	1.5
280.81735	1.3
281.11688	2.3
283.09793	1.5
285.11185	2.9
299.12708	8.6
309.14902	2.3
327.12177	6.2
327.15915	7.5
345.16956	100.0
346.17398	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	524.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89478	0.8
59.05000	0.9
65.03633	1.1
65.03949	8.5
69.03428	1.5
69.07069	1.8
71.35773	1.1
79.05498	1.5
85.02906	3.4
91.05473	8.9
93.03411	14.9
94.04173	1.8
95.04972	1.2
97.02913	1.0
103.05463	1.8
105.07025	11.8
107.04988	3.6
109.06535	1.2
110.03682	1.7
111.04446	11.2
115.05495	1.1
117.07024	1.4
119.04954	7.9
121.06552	1.0
122.03671	3.7
124.05165	0.8
125.05985	21.6
127.03917	1.1
128.06239	2.2
131.04901	1.6
131.08611	1.2
133.06493	10.7
135.08070	0.9
136.05193	0.9
137.05975	100.0
138.06320	3.0
143.08566	11.9
145.06488	4.5
145.10103	0.8
149.05936	1.0
151.03969	6.6
151.07539	56.4
152.07860	1.5
153.05467	46.0
155.68829	0.9
155.99202	1.0
159.08073	2.1
162.06754	2.8
163.07526	3.9
165.09117	23.6
165.10425	1.4
167.35056	0.9
171.08060	18.4
172.08749	1.5
173.05991	1.2
175.07617	1.0
177.09161	2.5
180.08597	0.9
181.08620	4.2
188.08340	13.7
189.09132	2.2
191.10773	1.0
193.12209	0.9
203.10674	55.4
204.11015	1.7
221.11723	34.1
222.11958	1.2
260.17227	0.7
295.13458	0.9
327.15894	27.8
328.16214	2.1
345.17020	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	524.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.4
55.01871	0.8
57.03435	0.5
65.03931	4.2
67.05482	0.4
69.03432	1.3
69.07049	0.7
69.69563	0.7
69.69981	1.2
71.04988	0.4
79.05498	1.8
81.03412	0.5
81.07049	0.9
85.02892	3.3
91.05480	7.4
93.03403	9.2
94.04187	1.8
95.04971	1.4
97.02897	1.7
103.05457	1.9
105.07025	13.5
107.04955	2.3
109.02841	0.6
109.06512	1.4
110.03661	0.8
111.04442	6.3
115.05452	0.5
117.06974	1.0
119.04926	4.2
121.06560	0.6
122.03648	4.1
123.04376	0.3
125.05982	12.7
127.03932	1.1
128.06195	1.7
131.04936	0.8
131.08548	1.4
133.06487	13.3
134.06816	0.6
135.08089	0.6
136.05226	0.6
137.05969	100.0
138.06268	2.1
142.08954	0.4
143.08553	7.4
144.08850	0.5
145.05016	0.7
145.06487	4.8
145.10088	0.4
147.04414	1.1
148.05232	0.6
149.05981	0.5
151.03909	23.6
151.07529	35.9
152.07867	1.4
153.05458	28.0
154.05794	0.6
159.08025	3.8
161.09584	0.5
162.06683	2.0
163.07547	1.9
165.09111	28.6
166.09416	0.9
171.08052	10.5
172.08783	1.1
173.06010	0.8
173.09554	0.4
175.07552	0.9
175.11066	0.5
177.09074	2.9
181.08604	3.5
188.08311	9.8
189.08994	0.6
191.10701	3.2
193.12355	0.7
203.10658	36.4
204.11020	1.7
205.12180	0.6
221.11714	50.1
222.12071	2.1
235.11168	0.5
253.08777	0.4
263.10767	0.6
280.10944	0.4
295.13156	1.8
302.51138	0.4
327.15894	16.9
328.16324	1.8
345.16949	20.6
346.17203	1.8
460.12656	0.4
502.39764	0.4
524.28925	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.0
55.01858	1.3
63.80025	1.0
65.03918	4.8
67.64788	0.9
69.03413	2.7
69.07017	1.3
79.05483	1.3
85.02907	7.1
91.05468	6.6
93.03393	8.6
94.04179	1.1
97.02890	2.1
103.05468	1.6
105.07008	12.3
107.04921	1.7
109.06482	1.1
111.04436	5.6
116.04632	1.2
119.04935	4.4
121.06505	1.7
122.03642	4.3
125.05991	12.0
127.03951	1.5
128.06213	1.9
131.08565	1.9
133.06487	13.8
134.30814	1.0
137.05966	100.0
138.06311	2.2
143.08559	6.8
145.04967	2.1
145.06425	4.5
147.04417	1.3
151.03914	19.7
151.05029	2.0
151.07530	37.1
152.07819	1.5
153.01884	2.8
153.05461	28.8
159.08023	3.9
162.06700	1.4
163.07578	1.7
165.09105	25.5
166.09442	1.1
171.08052	10.7
177.09074	2.4
181.08568	3.5
188.08298	8.3
191.10686	3.0
203.10655	34.8
204.10963	2.1
219.07895	1.0
221.11713	54.4
222.12051	2.6
229.08412	1.4
295.13150	1.3
327.15894	16.4
328.16165	1.5
345.16949	22.8
346.17258	1.3
507.61249	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.249
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95568	0.5
57.03421	0.7
61.02909	1.2
69.03437	2.1
69.72726	1.8
73.02899	0.6
74.52608	0.4
79.05495	1.2
81.03400	1.4
81.07053	0.6
85.02899	8.1
91.03934	0.4
91.05468	0.9
95.08568	0.6
97.02876	1.8
98.23314	0.5
103.05466	1.0
105.06985	0.7
107.04934	0.6
109.02891	1.0
109.14255	0.4
115.05470	1.6
117.07010	1.1
121.02827	0.7
126.33331	0.4
127.03893	1.5
128.06215	6.4
129.06935	0.7
131.04941	1.2
131.08566	1.5
133.06421	0.5
133.10126	0.5
137.05974	5.1
138.06206	0.9
141.06985	0.7
143.04956	0.6
143.08559	17.8
144.05608	0.7
145.04900	1.2
145.06487	2.7
145.10065	1.5
151.03931	1.0
151.07570	0.6
153.01855	1.8
159.04449	0.8
159.08087	3.2
160.05200	1.8
160.08812	0.5
161.05974	1.7
162.06522	0.5
162.07706	0.7
163.07530	1.7
165.09109	1.1
167.07037	0.6
171.08044	24.2
172.08745	1.6
173.05998	1.7
173.09544	0.7
174.06760	8.8
175.07553	14.2
175.10945	0.5
177.09070	1.5
180.08673	1.9
185.09772	0.6
188.08327	13.4
189.08887	0.9
191.10660	2.8
203.10663	100.0
204.10992	3.7
205.12183	2.4
221.11713	46.9
222.12057	2.0
242.34253	0.5
254.08139	0.4
342.55466	0.4
345.13242	0.8
408.72504	0.5
525.13251	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07895	1.0
53.03953	1.2
61.02929	1.2
63.08167	1.0
65.09642	0.9
65.67093	0.9
66.78393	1.0
68.10686	1.2
69.03424	3.0
71.15789	1.7
79.05495	1.7
80.21780	1.0
81.03423	1.4
81.07075	1.3
85.02896	7.7
91.05492	3.1
97.02881	2.0
99.04517	1.2
105.07021	1.9
107.08618	1.2
109.02876	1.6
122.03674	1.4
127.03906	1.8
128.06213	8.2
131.04932	1.6
131.08527	2.1
133.02875	1.3
137.05994	8.1
138.06290	1.0
143.08548	18.4
143.09596	1.6
145.06525	2.9
145.10080	2.2
147.04353	1.5
149.09563	1.1
151.03931	4.8
151.07559	1.6
152.04242	1.8
153.01781	5.8
159.08096	3.7
160.05205	2.4
160.08815	1.3
161.05940	2.7
163.03870	1.8
163.07541	3.9
165.09137	2.4
166.09430	1.2
167.07028	1.3
171.03017	1.6
171.08029	22.3
171.09410	1.7
172.08649	1.8
173.09612	2.6
174.06746	9.1
174.57179	1.0
175.07526	12.5
177.09198	1.7
179.07074	1.2
181.04962	1.7
188.08321	12.2
191.10667	1.2
203.10654	100.0
204.11061	3.1
205.12236	9.6
212.62038	1.1
221.11700	49.4
222.12045	2.1
262.86169	1.2
282.92697	1.0
304.05328	1.1
314.71246	1.0
331.04382	1.4
332.04694	2.6
337.03650	1.1
346.02972	1.4
346.06738	3.5
347.03400	3.6
347.07199	6.2
351.38525	1.0
361.05371	2.8
361.09241	5.4
362.05722	6.1
362.09546	13.2
524.14740	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25576	1.7
55.52824	1.6
65.03942	5.1
66.01621	1.6
69.03429	3.2
74.94649	1.8
79.05488	5.2
81.03398	2.2
84.26681	1.9
85.02901	14.3
88.97111	2.0
91.05466	8.2
93.03392	8.0
93.07052	2.1
95.04984	3.2
97.02902	3.2
98.22598	3.5
103.05431	2.5
105.07039	16.3
107.04960	4.2
109.02868	2.4
109.06487	3.7
109.10183	2.6
111.04428	6.6
117.07014	1.8
119.04967	5.9
121.06497	2.0
122.03654	2.7
125.05965	12.0
131.04955	3.0
133.06491	11.5
133.10204	1.8
136.05165	2.3
137.05975	100.0
137.09567	2.2
138.06325	2.3
143.08583	9.1
145.04910	3.8
145.06477	5.5
147.04329	1.9
148.05205	1.9
149.05980	2.8
151.03908	26.2
151.07538	41.8
151.08743	2.4
153.01802	4.1
153.05472	27.3
159.07983	3.2
161.05960	10.2
161.09616	2.2
162.06667	3.3
163.07523	6.7
165.09108	39.9
171.08052	11.6
175.07573	2.2
177.09096	3.3
178.09888	3.4
181.08458	3.4
188.08316	10.9
189.09088	7.1
191.10677	4.6
193.08588	4.2
203.10670	35.9
207.10136	2.7
209.08328	1.9
221.11734	51.7
258.69211	1.9
295.13071	2.3
299.12708	2.9
327.15927	20.3
345.16995	42.5
346.17316	2.7
356.18335	1.8
385.78339	1.7
524.29114	9.3
525.29956	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84797	0.4
58.73994	0.4
59.05663	0.4
61.02922	1.2
62.43011	0.4
69.03419	2.2
73.02919	0.7
79.05506	0.7
81.03415	0.6
81.07060	0.7
85.02903	7.0
91.05472	1.0
93.07061	0.7
95.08621	0.8
97.02930	2.2
98.22595	0.8
99.04438	0.7
103.05484	0.9
105.07034	2.7
107.04929	1.0
107.08621	0.5
109.02898	0.9
117.07032	2.0
119.08573	0.8
121.06469	0.5
121.10117	0.6
123.04456	1.1
127.03919	1.1
129.07076	0.4
130.07799	1.2
131.04927	3.3
131.08525	0.7
133.06509	0.5
135.11670	0.5
137.05977	10.8
139.03944	0.7
143.08617	0.8
144.05638	0.8
145.04958	1.7
145.06503	6.2
145.10118	11.9
146.10512	0.7
148.05193	1.3
151.03928	0.7
151.07526	2.0
153.05434	2.5
155.08539	0.9
158.07295	2.1
159.08012	0.5
161.05972	1.2
163.07532	4.4
163.11203	0.6
164.08113	0.4
165.09106	0.9
173.09624	21.3
174.09891	0.9
175.07535	0.7
176.08301	1.3
178.09853	3.2
179.10651	0.5
180.08691	0.6
189.09065	1.0
190.09906	0.9
191.10553	0.9
195.11671	1.1
203.10851	0.4
205.12236	100.0
206.12564	4.8
207.10077	0.5
221.11714	0.8
246.02618	0.5
290.25854	0.4
327.15967	0.9
345.16830	2.3
492.21051	0.5
512.43378	0.4
524.29065	3.1
525.30353	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.8
61.02917	1.1
69.02734	4.8
69.03408	2.7
79.05475	1.0
81.03392	1.9
85.02903	9.6
86.00293	0.7
91.05480	1.4
92.71252	0.6
94.04194	1.1
95.04972	0.7
95.08584	0.7
97.02856	2.2
98.23345	1.2
103.05399	1.0
109.02837	1.1
115.05443	1.3
117.07022	0.8
119.05000	0.7
119.08601	0.8
121.02800	1.0
122.03571	1.0
127.03895	1.2
128.06198	8.5
129.06978	1.5
131.04904	1.7
131.08528	2.0
137.05975	10.7
138.06313	2.8
141.06918	1.2
143.08554	19.8
144.05661	0.8
144.08890	0.9
145.04936	1.5
145.06485	3.7
145.10052	1.5
147.07945	0.7
151.03893	1.5
151.07523	1.4
153.01785	2.2
159.08034	2.5
160.05176	2.6
160.08803	0.8
161.05972	2.8
163.07562	2.2
165.05537	0.8
167.07085	1.5
171.08038	24.5
172.08502	1.9
173.05948	1.8
173.09552	1.2
174.06760	10.6
175.07530	14.7
175.11174	0.8
177.09155	2.0
180.08728	1.8
188.08321	13.7
189.08992	0.8
191.10648	1.8
203.10658	100.0
204.10991	3.9
205.12263	2.2
221.11710	50.8
222.12067	1.6
322.11639	0.8
327.11984	1.0
345.13199	1.4
416.27771	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49349	0.3
53.03937	0.5
55.01858	1.3
55.05512	4.0
57.07057	1.0
58.06596	1.4
59.07383	0.4
59.99085	0.3
60.08165	14.4
60.28714	0.2
65.03912	0.4
67.04231	0.8
67.05507	5.8
68.05031	3.0
69.03421	0.8
69.05814	2.7
69.07075	2.5
70.10060	1.1
71.04990	0.7
71.08624	0.4
79.05495	4.4
81.03402	0.6
81.07055	8.8
82.05314	0.5
83.04974	1.9
83.08619	2.2
85.06540	0.6
85.10191	1.6
86.00669	1.0
91.05476	3.1
93.07047	4.9
94.05304	0.7
95.04967	1.6
95.06102	0.3
95.08610	5.9
97.06540	2.6
97.10166	0.7
98.00600	0.3
98.23178	0.4
99.01427	1.9
100.02206	1.9
103.05410	0.3
105.07028	3.0
107.04951	1.4
107.06012	0.3
107.08580	2.8
109.06496	1.4
109.10158	2.3
111.08070	1.4
113.01724	0.3
113.09640	1.3
113.10762	0.6
117.07027	0.6
119.08573	2.3
121.10123	1.9
123.08064	1.0
123.11732	1.4
125.01677	1.6
126.02487	14.6
127.03262	39.2
128.03630	0.4
129.04834	0.4
131.08598	0.6
133.10088	1.7
135.08044	0.3
135.11702	1.2
137.05998	0.6
137.09605	0.4
143.02765	0.9
143.08562	0.8
145.04305	38.6
145.10114	0.6
146.04594	0.9
147.08022	0.4
147.11670	1.6
149.05998	0.8
149.09647	0.8
149.13255	0.6
151.03908	3.4
151.05009	0.7
151.07516	0.5
151.11105	0.5
152.04274	1.0
153.04684	0.4
153.12697	1.4
157.06657	1.1
159.11673	0.5
161.13284	0.6
163.07541	1.0
163.11189	0.4
163.14854	0.3
165.12787	2.4
170.07489	0.7
171.02235	0.7
175.07545	0.3
175.11122	0.4
177.13905	0.7
178.09860	3.5
179.14366	0.6
184.09036	2.6
185.09822	28.4
186.10606	4.3
189.09129	0.4
193.15942	0.4
211.12761	0.3
231.21043	0.4
249.22165	0.7
277.21680	2.5
295.22601	0.8
309.16296	1.7
327.15973	0.4
333.63675	0.3
421.25198	6.5
422.25684	0.4
437.24554	0.4
465.24457	0.5
480.32541	100.0
481.32907	9.9
492.21616	0.3
524.31647	3.8
525.31256	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	524.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	5.4
57.07076	36.4
62.87840	3.2
67.05508	14.6
69.07050	7.2
71.08623	32.9
71.34248	3.3
79.05508	5.8
81.07057	15.7
83.05022	2.5
83.08624	14.6
85.02881	4.7
85.10178	17.5
89.06048	2.5
91.05507	3.5
93.07044	6.7
95.01343	5.5
95.08598	33.3
97.10164	5.8
107.08598	4.3
109.10181	16.0
111.80935	2.8
123.11722	5.3
125.13255	4.1
133.10107	3.8
137.13222	3.1
141.01791	6.3
239.23671	35.6
257.24826	3.7
257.29196	3.5
302.64090	2.6
313.23679	5.4
313.27362	100.0
314.27621	5.4
331.28403	10.5
524.34344	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	524.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69854	2.5
52.74915	2.7
53.25739	2.5
55.05513	16.4
56.33441	2.3
57.03439	3.3
57.07077	43.2
57.62403	2.5
58.06593	3.2
61.05209	2.6
67.05504	17.8
67.05798	3.0
69.07075	15.1
71.08628	32.3
75.04469	3.0
76.38190	2.5
79.05497	3.8
81.07050	24.6
83.08602	16.9
85.02888	3.1
85.10181	19.1
88.04028	3.1
89.06023	7.3
91.05473	2.6
93.07030	9.2
95.01328	4.0
95.08595	27.3
97.10155	11.6
97.78127	2.8
104.10736	4.8
107.08587	3.9
109.10172	12.1
110.24609	2.4
114.86381	2.6
121.10164	4.6
123.11663	4.9
125.09566	2.3
135.11630	3.0
141.01845	3.8
149.13164	2.7
182.40257	2.6
184.07343	4.3
185.07738	3.0
188.10463	3.4
235.83937	2.4
236.14903	6.0
239.23715	27.2
257.24878	4.0
301.23169	2.7
313.27371	100.0
314.27567	4.5
331.28491	11.3
339.29230	3.2
506.38138	2.7
524.31909	2.9
524.39203	5.4
525.33771	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	524.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.9
59.66561	0.6
67.05487	3.0
69.07071	0.8
71.24747	0.8
71.25072	0.9
75.07843	0.7
76.98671	0.6
79.05470	1.7
81.06033	0.6
81.07048	3.1
83.04964	1.6
85.02921	0.7
85.06512	0.7
89.23627	0.6
89.24191	0.8
91.05473	2.5
93.07038	1.5
94.04153	0.9
95.04942	0.9
95.08614	3.8
103.05483	1.0
105.07046	0.8
107.04912	1.4
107.08556	0.9
109.06530	1.2
109.10146	5.4
111.04483	0.8
114.26939	0.6
119.08562	2.9
121.06502	0.7
121.10148	1.0
122.03642	2.1
122.07301	1.4
123.04420	0.8
123.08083	1.1
123.11658	2.0
131.04903	1.3
131.50659	0.7
133.10130	1.4
134.51022	0.7
135.08043	0.7
135.11673	0.9
137.05971	24.4
137.09601	11.4
141.09074	1.3
145.06474	0.8
145.10126	0.9
147.11678	0.9
149.05972	0.8
151.03891	2.0
151.07516	1.6
157.08650	0.7
159.07982	1.0
161.05981	0.9
163.07524	2.5
165.09105	100.0
166.09406	3.2
167.07004	2.4
168.07344	1.0
169.08694	0.8
171.08102	0.8
177.05499	0.7
177.09140	2.6
179.07022	0.8
187.07567	0.6
187.09642	1.3
189.09085	0.8
203.10678	2.5
205.12187	1.9
247.05389	0.7
319.22845	0.8
327.15970	3.3
337.23584	3.1
365.28732	0.9
376.34625	0.9
387.19742	0.9
453.29996	1.0
471.31189	1.3
489.32126	1.7
508.77951	0.7
525.32098	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3711
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05507	1.3
56.05027	1.4
57.03444	0.8
57.07075	3.7
58.06599	1.6
59.07362	0.4
60.08165	18.8
67.05511	2.4
69.07068	1.1
71.07015	0.6
71.07377	7.5
71.08627	1.9
79.05487	0.5
81.03411	0.8
81.07076	2.0
82.07426	0.4
83.08620	1.0
83.23355	0.3
85.10179	1.6
86.09708	52.6
87.10047	0.6
91.05487	1.0
93.07046	1.0
95.04966	0.5
95.08597	1.8
97.10181	0.6
98.98462	5.0
103.01366	0.4
104.10742	100.0
105.07030	0.9
105.11098	0.9
107.08643	0.5
109.10165	1.4
109.87795	0.4
111.08025	0.6
119.08568	0.8
123.11742	0.4
125.00005	29.4
135.11671	0.4
163.01607	0.8
184.07339	95.1
185.07687	1.6
193.12227	0.8
211.13159	0.4
240.09799	0.4
247.28416	0.4
258.11008	1.3
341.30499	1.3
506.36017	7.6
507.36185	0.7
524.37067	22.6
525.37445	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	17.1
57.07080	10.9
60.88715	5.5
62.71407	6.3
67.05505	30.2
69.07069	30.2
71.04996	16.8
71.34102	7.8
79.05499	16.4
79.80398	5.5
81.07048	43.1
83.08626	14.0
86.09712	23.6
91.05472	13.6
93.07047	26.6
95.08594	37.4
97.10165	11.0
98.15103	6.1
99.08096	9.8
102.67783	7.0
104.10758	25.0
105.07045	21.8
105.11093	9.3
107.08579	47.3
109.10164	47.4
119.08594	49.2
121.10141	68.7
123.11716	16.7
125.00008	11.8
127.11182	9.8
128.24997	6.7
131.08586	12.0
133.10120	51.6
135.08084	8.1
135.11687	35.7
137.09650	6.4
137.13264	8.3
143.08539	6.8
143.10712	9.7
145.10114	12.2
147.11720	30.9
149.13278	27.1
157.10117	7.4
159.11691	25.3
161.13197	33.1
163.14883	7.7
173.13220	11.3
184.07314	32.1
185.07709	18.1
185.13271	6.5
186.07838	14.3
187.14908	8.0
189.16438	17.1
201.16457	21.0
203.17990	27.4
209.69821	6.7
215.17963	8.8
217.19598	9.4
256.26163	6.7
339.28839	11.7
411.32703	9.0
425.34180	24.8
429.33401	14.5
435.32654	16.2
436.32678	7.7
443.35190	12.2
453.33609	84.3
471.34695	100.0
472.34900	12.1
489.35864	38.8
524.31097	10.7
524.35913	13.2
525.33844	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.3
55.05513	15.7
57.03440	11.0
57.07061	7.9
59.04994	4.1
65.03951	3.9
67.05504	100.0
69.07078	10.5
69.46191	9.6
71.04968	3.4
71.08625	4.2
79.05490	29.4
81.03407	3.0
81.07056	48.3
83.08619	13.9
85.06515	3.1
85.42915	1.7
90.17480	1.8
91.05458	16.7
93.07040	28.4
95.04958	4.6
95.08606	33.0
95.09196	1.8
97.06498	3.4
97.10172	2.4
103.43813	1.9
105.07053	9.7
107.08598	14.5
109.10155	67.1
110.10472	2.2
111.08080	3.7
117.07006	2.4
119.08585	11.3
121.10146	10.2
123.11771	3.9
131.08546	6.7
133.10132	5.4
135.11707	9.0
137.09616	3.5
145.10109	5.6
147.11690	2.9
149.13240	3.5
155.10635	4.6
159.11682	5.1
161.13271	3.4
173.11746	19.7
173.13190	3.3
175.14723	2.0
177.74165	1.9
193.12265	2.5
227.12805	2.2
229.14351	60.6
230.14687	5.2
243.21136	3.6
244.10811	1.8
256.71439	1.7
259.13052	2.1
261.22171	10.7
335.21677	3.5
335.25775	63.9
336.26212	4.2
368.56223	1.9
489.35779	28.3
491.87787	2.0
524.39813	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.4309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	8.2
55.05501	13.3
57.03425	3.6
57.07062	11.9
67.05499	21.1
69.07053	9.7
69.36963	24.4
71.04984	12.8
71.08617	9.3
79.05500	12.6
81.07060	22.8
83.04976	9.3
83.08619	8.4
85.10186	4.7
89.06026	5.2
91.05486	15.2
93.07037	12.0
95.04949	3.7
95.08592	26.3
97.06548	5.4
97.10171	8.2
99.08099	11.6
105.07043	12.3
107.08601	5.7
109.10138	9.1
113.09628	10.3
117.07059	5.1
119.08559	11.6
121.10149	4.3
123.08052	9.5
129.06973	4.6
131.08539	9.5
133.06551	5.5
133.10121	17.6
135.08012	23.6
143.08540	6.1
145.10091	5.5
147.08031	11.8
147.11746	3.7
149.09637	11.9
151.11226	15.3
157.10164	5.9
159.11711	5.7
161.09654	7.9
165.12688	4.0
169.12280	5.6
171.08061	5.9
175.11192	8.3
183.11742	3.4
185.13345	4.7
187.11209	28.4
203.14317	15.6
221.15364	3.6
225.22241	4.0
239.14511	4.0
255.17442	10.9
262.05695	3.1
263.23740	6.5
273.18576	6.8
281.19046	3.3
281.24600	4.5
315.26831	11.2
328.99457	3.6
333.27737	4.8
367.29990	8.9
385.31088	5.4
435.36142	12.1
453.37247	42.2
471.31790	5.8
471.38327	100.0
472.38699	7.1
489.39517	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	525.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.5
55.01877	1.3
55.05500	1.6
57.03431	1.9
59.04982	1.0
61.02921	1.0
67.05507	2.0
69.03432	5.6
69.07069	1.6
69.17207	0.9
69.22994	6.5
71.04987	2.7
79.01846	4.3
79.05495	1.6
81.03411	8.9
81.07053	4.2
83.01358	0.9
85.02904	10.4
91.05474	2.8
93.07050	5.0
93.29707	0.8
95.02429	1.9
95.04971	2.6
95.08591	4.4
97.02892	6.3
97.06509	0.9
99.04478	2.1
100.11285	1.7
103.05476	1.4
105.07031	3.9
107.01322	1.2
107.04957	2.1
107.08593	4.8
109.02900	4.8
109.06506	1.3
109.10188	1.9
113.03525	2.5
113.06006	2.1
116.90326	0.9
119.04955	1.1
119.08582	2.3
121.02871	1.6
121.10161	2.6
122.03673	1.4
122.10478	1.0
123.04440	1.9
123.11700	1.5
125.02367	3.6
127.03919	7.8
131.04971	0.9
133.06435	0.9
133.10127	3.6
135.08049	1.2
137.05974	18.0
137.09581	1.4
138.06404	1.2
139.03877	1.8
139.76480	0.9
140.07056	1.0
143.03430	4.8
145.04971	3.5
147.04414	2.0
149.06012	1.9
149.09621	1.1
151.03912	3.9
151.07578	1.1
153.01831	100.0
153.02890	5.7
154.02202	2.7
161.05995	2.5
161.09598	2.4
163.03914	2.0
163.07578	2.7
165.09129	2.9
165.12733	2.0
167.07175	1.6
167.14301	8.3
171.02885	7.6
171.07930	1.0
172.03899	1.0
175.03976	1.7
175.07565	3.5
177.05493	1.6
179.03253	0.9
182.15479	1.3
183.13786	1.0
189.09128	4.5
189.12917	0.9
191.07074	1.1
193.08617	6.4
199.07460	0.9
205.08569	1.0
207.06496	2.1
207.10385	1.2
210.14938	1.0
211.09641	9.3
217.08575	3.2
223.09685	1.2
231.06660	1.4
235.09648	7.2
237.10092	1.2
243.13376	5.8
251.11879	1.9
253.10785	5.4
255.10287	0.9
267.11264	1.1
277.10709	3.0
279.11307	1.6
283.09897	1.2
293.09259	2.0
297.06079	7.5
299.13016	1.1
301.10706	5.2
313.11801	1.9
315.07233	2.0
319.11746	2.6
325.11734	2.8
327.12204	2.8
328.12701	5.2
335.10086	1.2
353.11261	6.3
369.16617	1.1
494.19284	2.8
525.23474	6.6
525.35815	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.7
53.03929	1.0
53.64429	0.3
55.01871	0.6
55.44427	0.3
57.03432	0.7
59.51746	0.4
69.03426	2.5
69.54637	0.3
69.69133	0.6
69.69549	1.3
71.04984	0.7
76.20494	0.3
79.01855	5.4
81.03418	7.1
83.01312	0.5
85.02921	2.7
90.34157	0.3
91.05483	0.4
94.56664	0.4
95.04980	0.6
97.02886	5.5
98.23281	0.4
99.04459	0.8
103.03907	0.4
103.05465	0.4
105.07030	0.7
107.01322	1.8
107.04938	0.5
109.02891	4.1
113.06004	1.8
117.87979	0.3
118.04403	0.3
123.08046	0.5
125.02361	3.7
127.03912	4.5
129.06981	0.4
130.44485	0.4
133.10081	0.6
137.05936	2.0
143.03395	7.1
143.08557	0.4
145.05005	1.0
145.06459	0.3
147.08060	0.6
151.07529	0.5
153.01828	100.0
153.02890	5.1
154.02145	2.3
161.05966	0.9
161.09619	1.5
163.07536	0.6
164.04758	0.4
164.08383	0.4
165.05524	0.7
165.09122	2.3
171.02892	9.4
175.07564	1.6
177.05530	0.6
178.06267	0.6
189.09071	4.2
191.07007	1.2
192.07693	0.5
193.08598	6.2
199.07570	0.9
203.10674	0.4
205.04967	0.5
205.08659	0.5
207.06555	0.7
211.09660	9.4
212.10022	0.5
213.09012	0.5
217.08545	3.7
229.08446	0.5
231.06555	1.4
231.10262	0.6
235.09639	7.6
236.09979	0.5
249.07494	1.0
253.10698	4.2
255.05023	0.9
255.10187	1.0
259.09650	0.4
273.11319	0.7
277.10666	4.0
283.09665	1.2
297.06036	7.3
301.10733	5.1
315.07071	2.7
319.11780	2.9
329.13705	0.4
337.12891	0.9
355.13751	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	1.8
56.96547	2.4
67.05508	3.3
69.07069	2.4
70.23180	5.7
74.88114	1.3
79.05482	1.8
81.07054	4.1
91.05466	1.7
93.07034	3.8
95.08617	4.1
98.97560	2.5
105.07020	2.6
107.08566	4.4
109.10139	3.0
119.08580	2.2
121.10172	2.6
127.26638	1.5
131.08556	3.7
133.10120	3.4
136.53867	1.7
145.10117	2.1
147.11664	2.1
149.13242	2.6
158.99577	1.8
187.14886	3.0
214.92813	1.6
289.14639	2.1
507.30341	6.3
525.24432	77.8
525.32086	100.0
526.23932	7.3
526.32239	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	525.3185
Annotation	Oncostemonol A
Peak:m/z	Relative Intensity
55.05495	0.6
67.05502	1.1
69.07069	0.6
69.69515	2.0
73.98252	0.3
77.74802	0.3
79.05499	0.8
81.07076	0.9
91.05457	0.4
93.07063	0.7
95.08612	0.5
97.14925	0.4
98.23240	0.5
103.01801	0.4
105.07035	0.5
107.08605	1.0
107.92183	0.4
109.10167	1.1
119.08572	0.7
121.10102	0.7
123.78085	0.3
145.10181	0.5
150.94034	0.4
200.88107	0.4
224.39679	0.3
248.75514	0.4
481.32919	8.4
482.33545	0.5
507.30734	2.4
525.31891	100.0
526.32190	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	525.3188
Annotation	Oncostemonol A
Peak:m/z	Relative Intensity
53.03944	0.3
55.05511	0.6
67.05503	0.7
69.07065	0.5
69.12635	1.4
69.13058	0.9
79.05493	0.5
81.07047	0.6
91.05478	0.4
93.07043	0.6
95.08605	0.7
97.06570	0.5
100.88216	0.3
105.07023	0.6
107.08576	0.4
109.10155	0.4
121.10159	0.5
131.08611	0.3
133.10155	0.4
137.06061	0.3
159.11655	0.2
173.13278	0.3
310.43182	0.3
437.77673	0.3
457.60504	0.3
495.27863	0.4
507.31134	1.2
525.31964	100.0
526.32312	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	525.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98269	0.2
55.05521	0.3
67.05513	0.5
69.25526	1.5
73.76412	0.2
79.05488	0.2
81.07054	0.6
85.22890	0.2
91.05474	0.3
92.77804	0.2
93.07051	0.4
95.08631	0.4
107.08583	0.3
119.08579	0.3
127.58191	0.2
141.05530	0.2
145.10182	0.3
160.59296	0.2
189.86667	0.2
190.74266	0.2
196.79181	0.2
208.09444	0.2
337.21719	0.2
369.21503	0.5
507.31363	0.6
525.33972	100.0
526.34363	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.9
53.03932	1.9
55.24894	0.5
57.06651	0.6
58.62920	0.6
69.03436	3.2
70.06554	0.5
71.04973	0.8
71.32529	0.9
73.02900	0.6
79.01855	3.0
79.05478	0.9
81.03410	5.5
85.02901	6.2
89.16446	0.6
95.04990	0.6
95.18034	0.6
97.02895	5.6
99.04436	1.8
103.05466	1.4
105.07018	2.0
105.12275	0.6
107.01303	1.0
107.04959	2.4
108.04477	1.6
109.02876	4.3
117.07061	0.6
119.08585	0.8
121.06440	0.6
123.04410	0.7
125.02331	2.2
127.03904	8.9
131.04898	4.8
133.06482	1.7
135.04422	0.8
137.05966	14.0
143.03377	4.0
145.04919	1.9
145.06456	1.1
145.10123	2.7
153.01816	100.0
153.02872	4.6
154.02159	2.1
163.07550	8.0
165.09105	6.4
167.07007	0.9
170.94559	0.7
171.02866	12.6
173.09595	3.2
177.05400	5.1
191.10631	0.9
195.06497	1.0
195.10167	2.3
204.16368	0.6
205.08606	8.6
205.12201	5.8
206.09097	0.8
297.06030	7.5
297.14951	0.7
298.06436	0.7
315.07050	7.7
319.98959	0.8
329.13773	11.7
329.17480	7.5
351.12506	0.6
382.74960	0.8
454.86310	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19237	0.4
53.03949	0.3
57.03434	0.5
58.78682	0.3
61.02928	1.2
64.00414	0.3
65.03974	0.3
69.03433	1.2
69.63427	1.8
70.16633	0.3
72.97069	0.3
81.03426	1.2
84.16496	0.3
85.02904	10.2
91.03973	0.4
92.41116	0.3
95.01328	1.1
97.02883	3.3
99.04466	0.6
100.12894	0.3
103.03960	0.4
103.32687	0.3
109.02875	1.0
110.03655	4.4
111.04435	0.9
123.04382	0.8
125.05986	19.7
127.03919	3.0
139.03934	2.6
145.04951	3.1
153.05461	41.9
154.06242	12.4
155.03378	1.3
155.06970	0.7
163.05991	1.2
167.10649	0.6
170.05742	7.5
185.08083	100.0
186.08420	2.7
209.08144	0.6
221.08035	0.8
227.09048	0.4
236.06735	0.5
251.09119	1.2
273.57483	0.3
290.10043	0.4
293.64203	0.3
311.11316	1.3
347.13086	0.5
481.50266	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.0
55.05509	1.0
56.26759	0.9
57.03414	1.2
65.03940	0.9
67.05499	2.5
69.03418	3.4
69.07062	4.9
71.35883	1.2
73.02927	0.9
79.05477	1.0
81.03405	2.0
81.07053	3.7
85.02893	5.5
87.04452	1.3
88.12927	0.8
91.05481	3.2
93.07047	1.9
94.06566	7.3
95.04955	2.0
95.08602	3.9
97.02890	3.4
97.06502	1.2
97.46449	0.8
99.08078	1.1
103.05490	1.4
105.07025	1.9
107.05037	1.3
107.08607	2.1
109.02853	1.5
111.04446	1.1
115.03896	1.4
117.07035	1.1
119.08565	2.0
120.04482	2.5
121.02868	6.7
121.10135	0.9
122.06038	8.6
123.04402	1.9
127.03901	1.8
131.04910	2.1
133.05023	1.0
133.06548	1.6
133.10152	1.6
135.06850	1.0
135.11681	1.1
137.05971	18.0
137.09648	1.0
138.05484	2.4
139.03906	1.3
140.07072	13.7
144.04480	1.2
145.04987	0.9
145.06506	1.4
145.10104	2.2
145.11870	1.1
146.06030	4.0
147.11649	1.1
149.02440	1.0
150.05569	0.9
151.03902	1.3
151.07509	1.3
153.01813	9.2
153.05432	0.9
154.02194	4.6
161.13242	3.8
163.07564	2.1
164.08305	1.4
165.05499	1.3
165.09099	2.9
167.07056	3.6
172.03952	6.6
173.09703	5.0
174.05484	7.2
177.05484	1.5
179.03424	1.3
179.14304	4.4
190.04942	4.6
197.15395	2.9
204.06549	7.2
205.12228	15.8
206.08157	3.2
209.10808	2.7
211.12201	1.4
212.09393	2.1
214.15108	0.9
215.16318	2.0
216.10258	1.7
222.08006	1.1
222.11598	1.1
223.13283	2.8
224.09346	1.5
225.10286	9.1
235.08766	3.9
235.12257	1.3
236.09402	7.4
237.10219	21.0
238.10982	1.6
239.11681	4.3
241.09714	1.0
249.10281	5.8
250.11047	3.7
251.08029	1.8
251.08907	1.5
251.11789	23.6
252.08942	5.4
252.12315	1.6
253.09665	6.1
253.13351	2.0
254.10765	1.4
255.11314	4.6
261.12341	1.7
263.11789	2.0
265.09705	29.8
266.10583	4.8
267.11249	17.0
278.06583	4.0
279.11249	26.9
279.14127	1.4
280.08905	1.7
280.11948	5.3
281.08008	1.8
281.12808	2.8
282.10321	1.1
283.07993	1.2
283.10788	3.8
284.11462	1.4
285.12247	3.9
291.11334	1.4
293.09213	21.1
293.12552	1.7
294.10013	4.7
295.10770	20.0
297.12292	8.6
298.06589	0.9
307.10773	7.8
309.12381	5.4
311.09116	9.4
312.10880	3.3
313.11795	21.2
324.10989	1.5
325.11804	32.1
326.12210	2.2
327.13342	1.7
331.12891	2.2
331.68762	0.9
335.10284	19.0
336.10614	1.2
337.11743	1.4
345.14423	4.6
353.11313	100.0
354.11807	6.6
355.12851	2.7
357.14307	1.2
385.13858	13.0
386.14380	1.2
450.20349	1.0
452.18073	1.4
466.19754	2.8
476.18274	2.0
494.19232	56.8
495.19681	4.8
526.21735	1.3
527.24902	1.2
548.41022	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68573	2.9
69.03426	4.7
69.07778	29.4
69.08119	4.4
79.05494	5.6
85.02912	11.9
91.05484	6.3
91.24824	2.4
92.04935	2.8
97.75109	2.9
103.05465	12.5
105.07032	9.4
107.04962	7.7
109.06553	3.5
115.05454	9.4
119.04967	5.9
122.22212	2.9
123.04440	6.6
129.06995	6.6
131.04967	17.4
133.06485	8.8
137.05975	44.3
141.06987	10.1
143.04987	4.3
145.06487	4.2
147.04411	8.3
149.06003	9.2
151.03903	7.0
151.07576	12.4
157.06529	3.8
159.08038	7.1
161.05986	58.4
163.07584	29.7
164.08322	18.6
169.06503	13.9
175.07530	18.5
179.07082	3.1
187.07545	23.6
205.08607	11.5
207.08067	3.2
224.08359	3.9
225.09195	4.4
233.09686	5.6
235.07538	12.7
261.09070	3.2
265.12296	5.1
267.10272	14.2
278.09485	3.8
285.11224	66.7
286.11496	6.9
293.11664	17.6
299.12762	7.8
311.12747	61.9
312.13058	4.3
313.14420	4.0
329.13849	25.5
347.14914	100.0
348.15189	6.5
366.55829	3.0
527.24640	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	526.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.6
53.03936	1.4
53.19525	0.5
65.03943	2.6
67.05509	0.7
67.41790	0.4
67.82300	0.4
69.03423	3.3
69.46159	0.9
69.46562	2.0
71.04996	1.0
79.05471	0.8
79.24949	0.5
81.03413	5.3
81.07050	0.9
85.02903	4.2
85.06527	2.9
91.05482	1.0
92.23398	0.4
93.07011	0.5
95.04965	6.1
97.02900	3.2
98.70758	0.5
99.04431	0.6
105.07043	1.3
107.04957	1.0
107.08588	1.1
109.02886	2.8
110.58820	0.5
111.04436	1.4
116.10171	0.5
121.02866	100.0
121.10130	0.7
122.03195	3.6
127.03930	2.5
131.08545	2.3
137.05975	1.4
139.03902	16.8
145.04997	0.8
145.10098	1.1
149.05975	0.7
149.09625	2.0
151.07571	0.8
163.11208	1.0
165.09021	0.8
167.10709	0.9
177.09175	0.6
191.10606	2.2
207.06538	0.7
209.11664	3.7
227.12788	5.5
247.06012	0.5
265.07080	7.6
272.18158	0.5
283.08139	20.3
284.08600	0.9
329.13751	0.8
355.93295	0.5
526.21484	0.7
540.43506	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20223	0.9
53.70695	0.9
55.01840	1.1
55.02494	0.9
61.02924	1.4
63.08699	0.9
69.03420	3.5
69.32759	1.1
69.33051	6.2
73.92837	0.9
79.05481	3.1
81.03392	2.6
81.07028	1.7
85.02892	9.4
91.05479	11.1
93.07035	10.9
94.04217	1.1
95.04959	2.3
95.08614	1.1
97.02878	3.6
98.22525	1.2
99.04514	1.2
102.67832	1.0
103.05475	2.2
105.00104	1.3
105.07021	2.1
107.04974	2.7
107.08608	2.2
109.06500	2.2
119.04964	6.1
119.08582	1.9
121.06540	4.6
121.10146	10.6
122.03640	1.3
123.04436	6.3
123.11705	1.3
123.62701	0.9
127.03969	2.0
127.07600	1.0
127.71976	0.9
129.07024	8.1
131.04941	2.7
135.04395	2.1
136.05113	1.0
137.05974	62.4
138.06340	1.5
145.06453	1.1
147.04446	6.0
147.08022	3.4
149.05962	12.1
149.09599	4.7
151.03955	1.1
151.07544	39.9
151.82816	0.9
153.01820	2.0
156.12921	0.9
157.06531	5.4
161.06001	4.1
161.09596	1.1
163.07532	7.0
163.08661	1.1
165.07016	3.4
167.07199	1.1
167.08578	3.0
167.10674	3.2
175.07556	22.8
176.07881	1.4
177.09068	1.2
178.07651	1.1
181.73344	1.0
183.07976	1.3
189.09113	1.9
193.06532	3.0
193.08574	2.5
193.10132	2.4
195.08081	4.1
197.06024	1.6
207.13666	1.2
210.06705	2.4
211.07484	3.5
213.09103	4.2
213.11031	1.2
221.05995	6.2
221.09593	4.1
223.07564	2.5
224.63388	0.9
225.09047	4.1
227.10667	1.4
238.06192	1.4
239.07048	5.7
240.07729	1.7
241.08495	4.6
249.09023	1.4
253.08551	6.4
253.12178	3.0
255.10265	1.2
256.07593	1.2
258.08890	2.6
267.09927	1.8
270.08752	1.5
271.09647	18.7
272.10049	1.0
273.11188	10.1
281.11694	2.6
299.12772	23.9
300.13147	1.5
311.14850	4.0
317.13818	100.0
318.14206	6.1
329.13937	1.9
395.53693	1.1
419.11874	1.0
443.07684	1.1
527.16840	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
54.49705	0.5
55.01860	0.8
57.03426	0.5
61.02929	1.1
69.03429	4.3
70.89587	0.5
79.05499	1.3
81.03394	1.6
85.02898	10.3
91.05474	1.1
97.02906	3.4
103.05438	1.5
105.06366	0.7
105.07036	13.1
107.04936	0.6
109.02856	1.0
109.06488	1.5
117.07037	0.6
119.96711	0.5
121.06466	1.1
121.10156	0.5
122.03635	0.6
124.05190	0.7
127.03902	1.9
131.04903	1.2
133.05536	0.9
133.06488	12.7
133.92398	0.5
135.04387	0.9
137.05977	23.0
139.05440	0.7
141.06982	1.7
145.04941	2.2
145.06473	0.8
149.05986	6.6
151.07568	0.8
153.05421	0.8
161.06027	0.7
163.07536	7.7
164.08371	0.6
165.05489	2.4
165.09114	44.6
166.09415	1.4
167.04941	1.1
169.06479	5.0
177.05466	45.4
178.05827	1.3
180.08635	0.6
187.07498	1.0
191.07004	1.5
195.04536	1.2
195.06525	3.4
195.08049	0.7
197.05844	0.5
198.41583	0.5
199.07579	1.6
199.17882	0.5
205.08604	80.5
206.08893	4.0
209.05934	1.4
209.10043	0.5
212.04675	2.3
219.62625	0.5
223.07468	0.7
227.04805	1.1
227.07043	23.2
228.07405	1.2
231.16074	0.5
247.09718	0.5
255.10214	0.5
259.09683	5.9
259.74725	0.5
260.09851	0.8
265.12228	12.4
269.11981	0.7
297.14865	5.8
300.52258	0.5
311.12793	1.3
329.13834	100.0
329.17169	4.9
330.14206	7.6
347.14648	3.7
358.86871	0.5
482.58722	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.0
55.01867	0.8
65.03937	2.2
67.05492	1.1
69.03429	3.7
69.07050	0.5
69.21811	3.7
71.04976	0.8
75.35983	0.4
79.05502	1.1
81.03413	5.8
83.04977	0.5
85.02911	4.6
85.06544	2.8
91.05465	0.6
93.07048	1.0
95.04413	0.6
95.04968	6.0
97.02895	4.1
97.06560	0.5
99.04450	0.7
100.02638	0.5
105.07037	0.8
107.08580	0.8
109.02865	2.9
111.04417	1.7
121.02860	100.0
121.10155	1.0
122.03181	1.8
123.11644	0.5
127.03915	2.6
131.08598	2.3
135.08080	0.5
137.05977	1.2
139.03888	17.5
145.04918	1.1
145.10139	1.2
149.09624	1.9
151.03937	0.5
153.01813	1.0
159.08017	0.4
163.07556	0.8
163.11269	1.1
165.09097	1.2
167.07089	0.5
167.10651	0.9
175.03847	0.7
177.05458	0.4
180.20363	0.4
183.91370	0.4
191.10664	2.9
205.08519	0.4
207.06563	1.2
209.11707	4.5
213.00613	0.4
216.15927	0.4
227.12762	6.6
247.05972	0.7
265.07065	7.2
283.08102	21.1
284.08511	0.5
311.12781	0.5
329.13956	1.1
347.14935	0.8
378.47256	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.01857	1.2
59.76606	1.0
64.34422	1.1
67.39261	0.9
69.03411	3.1
69.95120	2.3
69.95500	2.0
79.05514	1.4
81.03424	1.8
85.02903	8.9
89.74821	1.0
91.05474	8.5
91.41756	1.0
93.07029	2.5
94.04179	2.0
95.04950	1.7
97.02914	2.2
103.05456	2.6
107.05009	2.0
109.02844	1.6
109.06482	2.1
119.04952	5.9
119.08598	1.3
121.06503	4.8
121.10119	2.3
122.03678	2.7
123.04427	5.0
127.03938	1.1
129.06987	5.8
131.04936	3.0
135.04405	2.6
135.08031	1.1
137.05968	59.3
145.04956	1.3
147.04381	6.3
147.08032	3.3
149.05965	14.2
150.06743	2.2
151.03943	1.6
151.07539	34.3
153.01831	2.3
155.08556	1.1
157.06512	6.4
161.05977	5.8
161.09593	1.7
163.07524	21.1
165.06999	2.3
167.07042	1.6
167.08510	2.6
167.10718	1.2
175.07539	20.7
183.08185	1.0
187.07599	1.3
189.09079	5.3
191.06946	1.1
193.06544	1.6
193.08562	2.2
193.10104	1.8
195.08035	3.2
197.05997	1.3
207.10170	2.5
210.06769	2.9
211.07521	3.8
213.09061	2.9
221.06010	6.7
221.09554	2.5
223.07545	2.7
224.08141	1.2
225.09077	2.9
227.10538	1.4
235.07468	1.3
238.06143	1.4
239.07011	3.0
241.08525	3.0
249.09224	2.3
253.08646	7.3
253.12268	3.4
258.08850	1.9
270.08585	1.5
271.09613	16.9
273.11273	9.7
281.11896	2.0
285.11139	2.6
297.11185	1.5
299.12747	22.4
300.13080	1.7
317.13803	100.0
318.14185	7.0
329.10193	1.3
329.13907	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	526.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.7
53.51958	1.4
55.01878	2.3
60.04539	1.7
61.02921	2.9
66.84202	1.4
67.05503	3.1
69.03423	6.9
70.66256	3.2
73.22523	1.3
79.05504	2.2
81.03418	3.9
81.07056	3.3
85.02906	12.8
91.05468	8.9
93.07053	7.4
95.04977	5.4
97.02896	4.5
99.04466	2.0
105.07034	3.5
107.04972	1.6
107.17731	1.6
109.02932	1.4
109.06514	2.9
109.10142	1.5
114.34135	1.4
118.61282	1.4
119.04969	5.6
119.08618	2.1
121.06516	6.1
121.10140	4.6
122.03642	2.8
123.04420	7.5
125.09644	1.5
127.03941	4.5
129.07059	6.7
131.04904	2.3
131.08556	1.6
133.10149	1.6
135.04424	2.6
135.08066	1.4
136.05229	1.5
137.05974	54.6
137.07018	2.9
145.04977	1.9
147.04428	6.4
147.08047	2.8
147.11624	1.6
149.05997	12.9
149.09608	11.1
150.06750	3.2
151.03929	2.6
151.07542	37.2
152.07918	1.8
153.01848	4.7
157.06538	5.1
161.05994	4.3
163.04025	1.9
163.07547	3.3
165.07011	3.2
167.07130	2.3
167.08539	2.8
167.10680	5.3
175.07521	23.2
177.05531	2.5
185.11742	1.6
189.09174	2.3
193.06598	1.9
193.08601	1.8
193.10228	2.0
195.08072	3.2
210.06810	2.2
211.07587	3.3
213.09093	3.4
221.05957	3.1
221.09657	3.6
223.07686	1.8
225.09210	2.0
238.06090	1.5
239.07063	3.5
239.10762	1.8
241.08614	5.2
249.09215	1.6
253.08582	9.4
253.12328	5.0
255.10252	2.4
258.08899	3.2
271.09647	17.7
273.11139	10.5
281.11780	3.1
283.09610	2.8
293.13684	1.7
299.12872	21.2
311.14987	3.6
317.13831	100.0
318.14194	4.3
329.10150	2.0
329.16357	1.8
347.11145	2.9
375.45425	1.4
526.19318	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	526.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94645	0.4
53.03928	0.5
53.81712	0.4
55.01863	0.6
56.64370	0.4
57.03431	1.1
59.16416	0.4
61.02927	1.6
63.52126	0.5
65.03947	0.6
69.03426	4.1
69.07063	1.3
69.88584	1.6
71.69820	0.5
79.05465	0.7
79.97014	0.4
81.03426	2.3
81.07054	1.5
85.02414	0.9
85.02908	15.5
91.05492	2.3
94.04179	1.6
95.04964	0.6
97.02912	3.6
99.04478	0.6
99.08101	7.9
103.05469	2.1
105.07041	3.0
107.04962	0.7
109.02873	1.7
109.06521	0.6
117.07024	2.7
119.04966	0.8
121.06496	0.4
122.03674	2.6
125.06001	0.5
127.03968	2.1
130.07777	1.5
131.04932	4.6
133.06477	1.8
134.36697	0.4
135.04506	0.5
137.05975	92.7
138.06322	1.2
140.07152	0.6
143.08583	0.6
144.05725	1.2
145.05005	1.7
145.06471	7.5
145.10123	14.1
148.05168	1.1
151.07545	3.6
153.05489	0.9
155.08530	1.3
158.07300	2.9
161.06001	1.0
163.07532	4.0
164.08313	0.8
165.05417	1.0
165.09084	2.8
167.07071	0.9
173.09624	35.4
174.09967	1.5
175.07469	0.5
176.08322	1.7
179.07008	0.7
180.08698	0.6
183.06499	1.5
190.09898	0.6
191.10657	0.6
193.12190	0.6
205.12242	100.0
206.12575	3.7
223.09753	0.9
223.13283	19.7
224.13580	1.1
259.09711	0.9
325.11771	0.6
329.13742	1.2
334.14102	0.4
347.14862	1.4
353.11261	1.3
527.24493	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.5
55.01871	0.5
55.05494	0.6
57.03419	0.9
61.02916	0.9
69.03436	3.0
81.03401	1.4
83.08603	0.8
85.02902	11.1
97.02916	2.0
101.09667	0.4
103.05470	0.6
109.02853	1.0
111.04398	0.4
114.56957	0.4
127.03883	2.0
131.04871	0.8
137.05969	1.7
139.05417	6.7
145.04935	1.4
145.10126	0.7
151.94026	0.4
155.04803	0.5
156.05722	0.7
163.07547	0.5
167.04913	4.2
167.08611	0.7
171.08063	0.6
181.06464	1.4
183.04359	2.0
184.05206	2.4
185.06038	0.5
187.07512	1.6
195.04410	12.7
195.08038	2.0
196.05157	1.2
197.05954	1.5
199.07538	6.2
209.05969	7.9
210.06569	0.8
212.04677	9.8
213.05309	0.9
213.09062	0.5
215.07031	4.4
221.05936	0.6
222.10466	0.5
223.07520	3.7
224.07928	0.6
227.07018	100.0
228.07339	5.6
229.05132	0.5
229.08492	0.7
235.07472	0.6
237.09177	0.5
237.12743	1.2
240.07761	0.7
241.08667	1.2
247.09703	3.4
250.09869	1.5
255.10121	3.4
259.09647	35.0
260.09964	2.0
265.12228	45.8
266.12427	2.3
269.15350	0.7
279.11188	0.7
285.11185	0.6
287.12769	0.7
293.08868	0.4
297.14838	23.4
298.15143	1.5
325.11636	0.8
329.17438	23.0
330.17657	1.1
347.18582	0.8
353.11359	1.9
419.90469	0.5
430.77225	0.5
476.88568	0.4
494.18973	1.3
527.23547	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.5
57.07072	8.8
67.05500	13.9
69.03430	6.2
69.07052	3.9
69.16989	14.5
71.04988	14.4
81.07048	3.1
83.01350	6.2
83.04968	4.8
85.06551	5.9
91.05464	3.1
93.06999	2.4
93.50713	1.8
95.04967	5.6
95.08625	3.7
107.08617	3.1
109.10135	2.7
113.05996	100.0
114.06351	2.3
119.08566	2.2
123.04443	2.1
123.08065	3.1
125.09585	2.2
137.05960	2.9
137.09612	2.8
151.07536	3.2
155.03368	3.0
155.06943	2.0
165.09081	8.4
169.08585	5.6
171.10265	2.6
179.07097	3.7
179.10693	2.2
181.08583	1.8
191.08719	1.8
192.07814	3.8
193.08598	6.4
195.10249	2.0
195.21057	1.7
197.08139	3.6
199.09738	4.9
201.62845	1.8
205.08623	3.4
207.10181	4.8
211.09642	6.7
219.06334	1.9
219.10298	1.7
221.08151	4.2
235.09674	2.9
239.09215	8.8
247.13358	3.8
251.12807	2.3
253.10779	6.3
261.11328	2.2
265.14355	2.1
269.10135	9.5
291.12323	5.1
293.13651	1.7
305.17493	4.6
309.13339	20.5
311.14682	2.3
321.13312	3.1
323.14917	6.4
339.14496	12.7
349.16498	5.5
359.18536	2.0
373.16403	13.5
379.17560	4.9
391.17746	2.5
397.18610	5.0
417.22736	4.4
449.17743	2.4
461.21555	3.9
491.22647	5.2
526.32538	4.8
527.30914	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	526.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18658	0.8
53.03944	1.2
55.05529	1.2
57.03447	2.5
57.75280	0.9
61.02932	1.9
67.05515	2.2
69.03431	7.0
69.07065	1.5
70.88894	1.7
79.05502	3.4
81.03439	3.1
81.07060	4.2
83.08625	0.9
85.02911	17.6
85.06538	2.6
91.05485	2.7
92.18501	1.1
93.07053	2.0
94.04219	1.3
95.08622	1.9
97.02375	1.3
97.02898	5.6
97.06521	1.1
99.04459	1.4
99.08085	6.3
103.05504	2.6
104.73776	1.1
105.07033	10.6
107.04964	3.3
107.08598	1.7
109.02900	2.4
109.06505	1.3
109.10175	1.0
117.07051	2.7
121.06543	1.4
121.10142	1.7
122.03661	3.3
127.03928	2.6
130.07838	1.1
131.04945	3.8
131.08653	1.1
133.06477	9.7
137.05981	100.0
137.13272	2.0
138.06328	3.2
139.05440	1.9
145.04996	3.0
145.06500	7.8
145.10143	11.3
147.08099	1.1
149.06021	2.4
151.07539	3.1
153.01836	2.1
153.05551	1.2
158.07268	2.4
161.06056	1.6
163.07518	5.5
165.05464	1.0
165.09123	25.4
166.09456	1.3
167.07117	2.2
167.08618	3.0
169.06535	1.2
173.09628	34.0
176.08403	1.8
177.05496	16.8
182.15364	1.3
184.05109	1.2
189.09021	1.4
191.07024	1.1
195.04436	2.4
195.06516	1.3
195.10094	1.8
205.08653	26.9
205.12245	87.7
206.12582	3.4
209.06020	1.6
212.04738	1.6
213.11432	1.0
215.16455	1.8
219.74718	1.0
223.13292	18.5
224.13708	1.3
227.07021	20.2
255.10219	1.0
259.09821	6.2
265.09976	1.2
265.12344	9.1
297.14923	3.5
311.13071	1.4
329.13855	34.7
329.17419	3.5
330.14197	3.0
347.14877	1.7
466.83978	1.1
471.58044	1.2
519.22369	1.1
527.20667	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67406	12.8
55.05521	14.3
67.05511	19.0
69.07071	13.6
69.67480	13.8
69.89323	63.4
71.60487	13.5
77.53310	14.4
79.05511	37.9
81.07039	27.3
105.07035	20.4
117.10373	14.8
119.08584	18.3
132.04396	14.3
133.10193	13.8
137.05981	100.0
160.05145	13.3
175.07594	68.3
204.00211	15.8
205.12280	87.3
243.13705	70.1
299.12775	87.9
324.10306	13.5
327.15994	15.7
367.19052	59.2
526.31683	57.1
526.38733	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.4312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	8.6
57.07073	65.6
57.58362	1.5
67.05506	10.5
69.07065	13.7
69.32957	11.6
71.08630	55.9
73.06564	4.1
79.05491	5.3
81.07047	9.7
82.07389	1.8
83.04982	1.8
83.08607	6.1
85.10178	39.0
87.04475	3.5
89.06027	100.0
91.05464	4.1
93.07041	8.2
95.08595	8.5
97.06499	1.4
97.10188	7.6
98.23279	3.1
99.11727	7.1
105.07012	3.2
107.07063	3.8
107.08572	3.4
109.10146	3.2
111.11704	3.5
113.13275	4.6
117.09155	5.0
119.08572	3.3
121.10149	8.7
125.09642	3.8
125.13260	3.0
127.14839	3.6
130.08633	2.9
133.08600	71.7
133.10127	3.3
135.11661	3.4
145.10222	1.7
150.13806	1.6
159.11798	1.8
177.11226	24.4
183.21230	1.8
221.13907	4.3
227.12715	2.1
239.14847	4.3
256.26392	4.1
276.07117	1.5
277.21423	2.0
278.22040	3.9
279.63647	2.0
283.17520	4.6
315.29053	2.7
327.20087	15.1
327.23587	2.3
339.28964	2.1
421.34421	1.6
466.33896	3.3
509.40466	8.1
526.35834	71.2
527.35980	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	527.1583
Annotation	(-)-Indocarbazostatin B
Peak:m/z	Relative Intensity
59.12418	0.3
62.08891	0.4
69.99999	0.4
70.06557	0.4
71.33170	0.8
74.65850	0.4
80.36172	0.4
119.01864	0.6
148.69615	0.4
155.01860	1.7
173.02928	2.2
185.04179	1.7
203.03477	0.5
203.05260	8.6
222.39594	0.4
245.04997	2.0
305.08481	1.9
319.66187	0.4
347.09241	1.7
365.10529	99.6
366.10831	3.1
527.15802	100.0
528.16211	7.0
533.32013	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.8
55.01861	0.6
55.05492	0.2
57.03424	0.3
65.03938	3.2
67.05500	2.1
68.99766	0.3
69.03432	1.6
71.04990	0.3
71.34151	0.3
79.05483	0.8
81.03413	4.1
82.03775	0.3
82.04192	2.0
85.02906	2.5
91.05476	0.9
92.02586	0.3
93.03420	1.4
95.01331	0.3
95.04969	2.4
97.02901	1.7
97.06519	0.9
99.04436	0.5
100.11273	0.3
107.01322	0.3
107.04936	0.6
108.02071	0.4
109.02857	2.4
109.06522	0.3
110.03669	2.4
111.04420	1.0
121.02857	0.5
123.00807	0.7
123.04425	1.1
125.02300	0.5
125.05990	7.0
126.06296	0.3
127.03902	1.1
135.08092	0.4
137.02283	0.8
137.05975	3.4
138.03131	2.9
138.06253	1.1
139.03886	1.3
140.04671	5.3
140.05754	0.3
145.04919	0.3
146.10510	0.2
151.03963	0.3
153.01836	5.4
153.03000	0.5
153.05447	6.0
154.06297	2.1
155.07076	1.9
161.05998	0.3
163.07582	0.4
165.09123	0.8
166.02600	1.2
166.09509	0.3
167.07014	1.2
170.02051	1.3
170.05696	0.6
171.02875	0.5
171.06520	8.7
173.09621	0.5
174.09941	0.4
177.05377	0.3
179.07025	0.3
181.04941	100.0
182.05301	3.2
185.08086	8.4
195.10043	0.4
199.05998	6.7
205.04988	0.3
205.12215	1.9
206.12576	1.4
221.08041	0.3
223.06091	0.5
223.13426	0.3
224.13478	0.3
227.09146	0.4
231.10637	0.3
247.09903	0.3
265.06949	0.4
273.93857	0.2
275.09116	1.8
283.08127	0.7
293.10162	0.3
297.05972	0.3
315.07016	0.7
325.09164	4.5
343.10165	1.6
354.11362	0.3
527.15112	1.5
527.23157	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
55.01862	0.6
55.05510	0.2
57.03419	0.5
65.03940	4.3
66.04264	0.2
67.05497	2.2
68.99763	0.4
69.03424	2.1
69.07065	0.3
71.04965	0.3
71.34437	0.2
75.04469	0.2
77.03915	0.2
79.01875	0.1
79.05475	0.5
81.03411	4.3
81.07063	0.2
82.00550	0.2
82.03768	0.2
82.04198	1.8
85.02904	4.3
91.05437	0.2
93.03407	1.4
95.01340	0.4
95.04967	2.2
97.02892	1.5
97.06510	1.3
99.04454	0.6
101.02373	0.2
103.03975	0.2
105.04460	0.2
107.04956	0.2
107.08563	0.2
108.02090	1.0
109.02879	1.4
109.06476	0.2
109.10131	0.3
110.03654	3.5
111.04454	1.3
121.02813	0.2
123.00768	0.4
123.04423	1.1
125.02339	0.5
125.05988	5.2
126.06351	0.2
126.38599	0.1
127.00317	0.2
127.03929	0.7
137.02287	0.3
137.05957	0.7
138.03104	1.6
139.03920	1.1
139.07607	0.1
140.04674	6.2
142.02623	2.0
153.01843	0.2
153.05458	8.0
154.06262	2.3
155.07027	2.7
161.05974	0.2
163.03934	0.2
163.07518	0.2
167.03433	0.2
167.07071	0.4
169.04938	0.2
170.05777	0.4
171.06514	3.1
178.06223	0.2
181.04944	100.0
182.05287	3.0
184.03598	0.2
185.08086	9.3
186.08427	0.3
195.06516	1.9
196.06834	0.2
199.06010	5.2
200.06348	0.2
204.43462	0.2
207.10275	0.2
209.08118	0.2
213.07469	0.2
217.04726	0.2
221.07980	0.2
223.09599	0.1
227.09038	0.3
241.07091	0.4
247.09544	0.2
250.88940	0.1
251.09120	0.3
269.71872	0.2
272.05353	0.2
275.09061	1.5
283.08032	0.5
293.10046	0.3
325.05273	0.3
325.09155	5.3
326.09357	0.3
339.10602	0.2
343.10178	1.7
527.21082	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36095	1.0
53.03951	1.3
58.63210	0.9
65.03925	1.3
67.05490	1.4
69.03436	2.4
71.32759	1.1
79.05486	8.9
81.03419	7.4
85.02904	2.0
91.05475	13.8
93.07047	2.2
105.07037	9.4
106.79132	1.1
107.04951	3.0
107.08593	31.6
109.02882	2.9
109.06521	3.8
110.03645	1.1
111.04446	1.2
115.05452	9.2
117.07028	8.9
119.06084	2.0
121.02856	1.8
125.05988	5.3
133.06482	1.5
135.08051	100.0
136.08350	3.6
139.03857	1.7
153.05478	8.9
154.06192	2.0
163.07541	58.2
164.07874	1.9
165.09161	1.2
167.84785	1.0
178.06250	1.2
181.08586	31.7
182.08981	1.0
185.08080	13.4
186.08527	1.0
196.66725	0.9
199.09630	1.1
234.58141	1.0
275.09131	4.6
325.12872	9.6
327.11816	1.2
343.13879	3.9
527.32880	4.5
530.67004	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02348	0.5
53.03927	0.6
55.01862	1.3
55.05511	3.2
57.03414	1.7
58.06578	0.6
61.02920	0.9
65.03911	1.1
67.05507	7.2
68.44993	0.6
68.99734	0.5
69.03396	1.3
69.07045	2.3
71.04977	1.0
79.05485	3.8
81.03406	1.8
81.07052	5.8
83.05010	2.4
83.05386	0.5
83.08594	2.2
85.02898	1.1
85.06546	0.6
85.37767	0.5
87.04432	0.6
91.05500	3.9
93.07056	5.4
95.04981	1.4
95.08618	4.1
97.02868	1.4
97.06500	1.6
97.10157	1.2
97.30109	0.5
99.04506	0.7
105.07024	3.5
107.04943	0.8
107.08599	3.3
109.06496	1.3
109.10139	3.9
111.04453	3.1
111.08111	0.9
117.06980	1.5
119.08591	3.1
121.06490	0.8
121.10152	3.6
123.04435	21.6
123.08047	1.4
123.11715	0.8
125.09668	1.2
127.03885	0.9
131.08551	1.8
133.06499	0.9
133.10178	3.1
135.08063	1.5
135.11705	2.1
137.05988	0.7
137.09654	0.8
139.03900	75.7
139.11185	2.5
140.04236	1.9
145.10078	1.3
147.04437	2.0
147.08221	0.5
149.09628	1.7
149.13298	1.4
150.10457	0.7
151.03903	12.1
151.05070	1.0
151.11166	1.5
159.08072	1.2
159.11652	1.2
161.13217	0.8
163.03969	0.5
163.07541	0.5
163.11140	1.4
165.05479	1.4
167.10715	1.0
171.08098	0.6
173.09636	0.8
173.11758	0.6
173.13193	1.0
179.10675	0.7
193.08643	2.1
196.42258	0.5
205.08598	0.9
209.15343	0.8
236.15021	1.9
237.14847	12.5
237.17090	0.9
238.15335	0.7
273.07645	1.6
273.18414	0.9
291.08731	2.1
291.19604	1.3
347.22415	0.7
365.23206	0.8
375.18027	20.9
376.18427	0.8
387.18140	2.2
449.12659	0.6
452.72327	0.5
483.34396	6.6
491.15164	0.5
509.22174	1.8
509.29276	0.7
527.33649	100.0
528.34290	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	527.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01902	2.8
55.05504	6.4
67.05490	10.4
69.07075	4.5
69.24529	14.8
69.24950	5.8
76.18768	2.4
79.05494	5.7
81.07059	10.5
83.08595	4.2
91.05466	4.9
93.07028	8.5
95.08584	9.3
97.06577	2.8
98.97533	2.9
105.07009	7.5
107.08590	7.2
108.36730	3.0
109.06483	3.5
109.10149	3.6
112.12406	2.8
117.07007	3.4
119.08601	8.0
121.10127	8.7
124.11695	2.6
130.12634	2.5
131.08510	3.4
133.10088	6.4
145.10150	6.7
147.11687	4.3
157.10132	4.3
159.11642	6.3
161.13312	4.6
266.92224	2.7
293.05478	3.5
309.17105	2.9
344.64502	2.6
382.32178	2.8
527.26263	100.0
527.32953	53.9
528.26355	7.1
529.36188	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	527.3343
Annotation	Oncostemonol F
Peak:m/z	Relative Intensity
53.03933	0.5
53.17744	0.3
55.05511	2.4
56.40300	0.3
67.05505	3.9
69.07056	1.5
69.29605	1.0
69.30022	1.4
77.62120	0.3
78.42807	0.3
79.05492	4.2
81.03412	2.4
81.07058	4.3
83.01106	6.9
83.08614	1.1
90.03770	0.3
91.05486	3.8
93.07047	3.4
95.04951	0.8
95.08602	2.9
97.06520	0.5
97.10165	0.6
105.07017	2.8
107.04959	0.6
107.08570	3.3
109.06512	0.3
109.10175	1.8
111.08047	0.5
113.02122	1.4
117.06996	0.6
118.71077	0.3
119.08567	2.8
121.10110	1.9
123.11702	0.5
125.09604	0.5
129.06972	1.4
131.08559	2.1
133.10132	2.6
135.11665	2.3
142.07660	0.4
143.08560	1.2
145.10114	1.7
147.11678	3.6
149.13254	0.6
155.08496	0.6
155.28706	0.3
157.10106	1.3
159.11711	1.5
161.13235	1.2
163.14932	0.6
164.76302	0.3
165.12793	0.4
167.08543	0.3
169.10104	0.8
171.11636	1.2
173.13255	0.8
175.11142	0.5
181.10138	0.6
183.11703	0.7
185.13202	0.8
187.14839	0.4
189.16376	0.4
193.10258	0.3
193.12210	1.3
197.13232	0.7
232.84625	0.3
261.22263	0.8
417.31534	0.5
435.32581	1.5
453.33469	0.7
467.31339	1.9
527.33240	100.0
528.33569	8.8
546.36627	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.335
Annotation	Oncostemonol F
Peak:m/z	Relative Intensity
50.28915	0.7
50.51371	0.7
53.03942	1.2
55.01876	2.2
55.05524	4.9
57.03443	1.3
58.06598	2.5
60.08153	1.0
63.91402	0.7
65.03943	0.8
66.15647	0.8
67.05505	8.2
68.61803	0.7
68.99808	0.7
69.03428	1.6
69.07067	2.2
71.32255	1.1
76.02321	0.7
76.79176	0.8
77.03934	0.9
79.05511	4.7
81.03426	1.9
81.07063	7.2
83.04990	2.6
83.08637	2.0
83.87377	0.7
85.02891	1.5
87.04508	0.9
91.05489	5.7
91.64476	0.7
93.07037	5.3
93.09162	0.8
95.04975	2.8
95.08620	4.7
97.02928	1.8
97.06561	2.1
97.10142	1.1
103.05460	0.8
105.07011	4.1
107.04974	2.3
107.08603	4.9
109.06522	1.3
109.10162	5.0
111.04457	2.7
111.08101	1.7
117.07014	1.6
119.04945	1.3
119.08602	2.5
121.06530	1.7
121.10155	5.0
123.04433	27.6
123.08089	2.5
123.11652	1.3
125.09627	2.3
129.07013	1.2
131.08577	2.2
133.10150	3.1
135.04515	0.8
135.08057	1.5
135.11700	1.8
137.09618	0.9
139.03900	80.4
139.11201	3.0
140.04257	2.2
143.08641	1.5
145.10165	2.5
147.04440	2.8
147.11729	1.3
149.09631	1.3
149.13240	1.2
151.03911	14.1
151.07533	0.9
151.11234	1.2
151.44699	0.9
157.10173	1.7
161.09634	1.1
161.13196	1.1
163.11160	0.9
165.05479	1.4
173.13266	1.1
182.07375	0.8
183.10152	0.9
191.14314	1.0
193.08646	3.7
203.07123	0.9
209.15387	1.6
227.12827	0.9
236.14946	8.4
236.97133	0.8
237.14862	12.6
238.15114	1.2
273.07617	1.7
273.88864	0.8
291.08649	1.8
357.16980	0.9
375.17981	14.7
376.18497	1.4
387.18301	1.7
423.27551	1.2
483.34537	6.0
509.21585	2.4
510.34097	1.9
527.33783	100.0
528.34625	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	527.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.6
51.02369	0.5
53.03940	3.9
55.01867	3.1
55.05511	18.4
57.03437	3.8
57.07077	2.5
59.05004	0.9
65.03931	2.7
67.05505	48.4
68.05840	0.9
69.03418	1.9
69.07069	14.7
69.07449	0.7
71.05000	3.5
71.08625	0.6
71.31314	0.8
71.31686	0.5
73.06576	0.5
77.03889	0.9
79.05490	45.3
80.05833	0.8
81.03416	27.4
81.07054	47.0
82.03752	0.4
82.07371	0.8
83.04973	7.8
83.08616	13.4
85.06542	2.4
86.52176	0.4
87.04473	0.5
89.06020	0.5
91.05476	42.4
92.05811	0.6
93.07043	39.1
94.07372	0.8
95.04966	12.2
95.08601	29.1
96.08974	0.4
97.02891	0.9
97.06526	4.7
97.10170	6.5
99.08102	1.5
103.05478	1.2
105.04526	1.7
105.07027	31.1
106.07393	0.7
107.04959	5.3
107.08591	20.9
109.06512	3.6
109.10149	14.0
110.10516	0.5
111.04478	0.8
111.08073	4.7
111.11729	0.5
113.05973	0.5
115.05412	2.0
115.07558	0.6
116.06284	0.5
117.07014	13.8
119.04955	0.8
119.08578	22.2
120.08907	0.6
121.06469	2.0
121.10140	18.5
123.08052	2.1
123.11682	3.3
125.09630	3.7
127.07581	0.6
128.06221	3.0
129.05537	0.4
129.07007	14.5
130.07861	0.9
131.08562	23.8
133.06497	1.5
133.10127	20.1
134.10513	0.5
135.08054	1.2
135.11687	10.2
137.09593	2.5
137.13254	0.9
139.11185	1.0
141.07001	3.9
142.07787	3.7
143.08557	12.4
143.09636	0.8
145.10120	17.1
146.10535	0.6
147.08090	1.9
147.11685	13.4
147.12872	0.6
149.09589	2.8
149.13243	5.1
151.11134	0.8
153.07030	0.9
153.09103	0.8
153.12708	0.7
154.07774	1.0
155.08553	8.7
156.09265	1.2
157.06532	0.5
157.10121	18.0
158.10616	0.7
159.08078	0.5
159.11684	12.1
159.12952	0.8
161.09612	1.2
161.13231	5.5
163.11192	2.4
163.14870	1.8
165.07059	0.6
165.12746	1.5
167.08606	3.4
168.09315	1.1
169.10123	10.7
169.11467	0.7
170.10654	0.7
171.11688	11.7
173.09663	0.8
173.11832	0.7
173.13234	9.0
175.11208	6.2
175.14757	2.1
177.12755	0.6
177.16431	0.7
179.08591	1.5
179.14383	0.5
179.28735	0.4
180.09296	0.5
181.10110	4.8
182.10847	0.4
183.11681	8.9
184.12296	0.7
185.09676	0.6
185.13260	7.5
187.11195	1.1
187.14783	4.4
189.11258	1.6
189.12764	0.6
189.16406	0.7
191.14232	0.5
193.10216	2.0
193.12230	16.2
195.11713	4.6
197.13268	6.4
199.14809	4.1
201.12894	0.5
201.16406	2.2
203.14381	0.9
207.11633	2.2
209.13300	3.8
211.13213	0.6
211.14891	3.9
213.12970	1.0
213.16444	2.5
215.14389	0.5
215.18042	0.7
221.13278	1.6
221.15295	0.5
223.14810	2.6
225.16406	2.6
227.14432	0.5
227.18098	1.0
231.13844	0.7
235.14801	2.0
237.16412	1.8
239.17975	1.0
241.19568	0.8
243.21147	2.3
247.17085	0.4
249.14839	1.5
249.18678	1.1
251.17967	1.5
253.15924	0.5
255.17554	0.6
256.26227	0.7
257.19183	0.6
257.26736	0.6
259.20670	1.2
261.22128	6.3
261.24597	0.6
262.22559	0.5
263.18039	0.9
265.19589	1.0
267.15594	1.8
267.21219	0.5
269.19092	0.9
271.20642	0.6
275.20203	0.7
277.19424	0.6
279.20929	0.7
280.27219	0.5
281.18976	0.5
283.20602	1.3
285.18744	0.6
285.22147	1.0
291.21021	0.6
293.22665	0.5
295.20425	0.7
297.18823	0.4
297.22208	1.2
299.20251	0.4
299.23541	1.0
301.21832	0.7
301.25293	1.5
309.22189	1.3
311.20676	0.4
311.23724	2.0
313.21677	1.0
313.25339	0.4
315.23077	0.7
317.24756	1.6
321.22162	0.6
323.23788	1.7
325.21616	0.6
325.25214	0.7
327.23193	1.8
329.24606	0.6
337.21368	0.6
337.25076	0.9
339.23221	0.9
341.24832	1.4
345.24518	0.5
347.23535	0.7
349.25125	0.7
353.24710	1.0
355.26352	1.2
361.25336	1.1
365.24542	0.6
367.26370	0.7
375.26468	0.6
380.16309	0.4
393.27963	0.6
407.33328	1.4
417.31561	5.6
418.31717	0.7
425.34195	0.7
435.32538	17.2
436.32803	1.2
453.33603	8.4
454.33844	1.0
455.32806	0.4
471.34726	4.3
472.34515	0.5
473.34222	1.8
491.34940	2.2
509.29086	0.8
509.36194	6.6
510.36417	1.2
527.37292	100.0
528.37646	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	527.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01606	0.5
51.02378	0.5
51.76802	0.5
53.03945	2.6
55.01877	2.5
55.05513	16.5
57.03437	3.3
57.07071	2.0
59.04991	0.5
62.83057	0.4
65.03936	2.2
65.09428	0.4
67.05505	38.0
68.05836	0.5
69.01899	4.4
69.02308	0.6
69.03427	1.6
69.07069	12.3
69.11986	0.4
71.05005	2.9
71.08640	0.7
77.03951	0.9
79.05494	29.9
80.05790	0.5
81.03021	0.5
81.03416	18.8
81.07056	34.6
83.04976	4.1
83.08622	11.3
85.02904	0.9
85.06538	1.3
91.05480	29.0
92.05782	0.6
93.07043	28.5
94.07341	0.6
95.04968	8.8
95.08605	21.6
96.08939	0.7
97.02898	1.1
97.06532	3.3
97.10173	5.2
99.08119	1.2
101.35590	0.5
103.05459	0.8
105.04513	0.7
105.07029	23.2
107.04954	4.0
107.08592	17.2
109.06531	1.7
109.10152	11.6
111.08075	3.5
113.09668	0.7
115.05463	2.2
116.06282	0.8
117.07021	11.4
119.08583	18.0
120.08970	0.8
121.06511	1.6
121.10146	12.1
122.41509	0.5
123.08079	2.0
123.11735	3.3
125.09601	3.0
127.07522	0.6
128.06203	3.4
129.07005	14.5
130.07826	1.0
131.08565	24.1
132.08917	0.8
133.06479	1.1
133.10130	14.2
135.08081	0.8
135.11696	9.1
135.12665	0.8
137.09660	1.3
139.03917	0.4
139.11227	1.5
141.06987	3.9
142.07767	3.2
143.08559	13.5
144.09242	0.6
145.06509	0.8
145.08978	1.0
145.10121	17.9
147.08055	1.3
147.11681	11.2
149.09656	2.6
149.13251	3.9
151.11249	0.5
153.06981	1.3
154.07852	0.8
155.08554	9.8
156.09302	1.2
157.10129	16.6
158.10828	0.5
159.08067	1.2
159.11691	11.1
161.13284	4.4
163.11166	1.3
163.14848	1.3
165.07079	0.8
165.12773	0.8
166.07831	0.8
167.08522	3.3
168.09290	0.8
169.10117	11.6
169.11493	0.8
170.10599	0.6
170.85147	0.5
171.11694	11.0
173.09694	0.6
173.11833	0.9
173.13248	8.9
175.11139	3.8
175.14827	1.8
177.12811	0.7
179.08585	1.7
180.09315	0.6
181.10115	6.0
182.10896	0.6
183.11690	10.4
184.12039	0.6
185.13248	8.5
187.11194	1.1
187.14825	4.5
189.11261	1.2
189.16362	0.5
193.10204	1.6
193.12279	9.0
195.11682	4.3
197.13251	7.2
199.14841	5.3
201.12785	0.9
201.16405	1.4
207.11705	1.4
209.13254	3.6
211.14851	5.0
212.15215	0.6
213.12755	0.6
213.14717	0.5
213.16417	2.6
215.14220	0.6
215.18034	0.6
221.13290	2.5
223.14799	3.0
225.16452	2.9
227.17966	0.9
235.14801	2.2
237.16377	2.0
239.18045	1.3
241.15952	0.5
241.19624	0.8
243.21097	1.4
249.14519	0.8
249.16631	0.9
251.18030	0.9
253.19719	0.9
261.21997	3.4
263.17911	0.6
265.19437	0.8
267.15857	0.7
267.21161	0.8
271.24493	0.6
285.18561	0.8
285.22141	1.0
291.20975	0.6
293.22440	0.7
295.20627	0.5
297.22302	1.5
299.23724	1.1
301.25339	1.4
303.23111	0.5
309.22116	1.1
311.20306	0.8
311.23758	1.9
315.23221	0.8
321.22089	0.7
323.23651	2.0
325.25241	1.0
327.23175	1.5
329.24835	0.6
335.23761	1.4
337.25415	0.7
339.23123	0.6
341.24863	0.8
347.23682	0.6
349.25406	1.1
351.26736	0.6
353.24524	1.0
355.26245	0.9
357.24429	0.7
361.25040	0.7
379.26370	0.8
407.33188	1.6
417.31546	5.4
418.32031	0.9
425.34283	0.8
435.32578	17.7
436.32953	1.3
453.33643	9.2
454.33960	0.6
471.34534	3.5
473.34149	1.2
491.35229	2.0
509.36282	7.6
510.36371	0.9
527.37311	100.0
528.37622	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	528.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70201	0.8
53.03937	1.4
55.01869	1.5
57.03418	1.2
61.02911	1.1
69.03413	3.0
69.22964	2.6
69.23392	3.3
73.04175	0.7
77.03940	0.8
79.05508	3.7
81.03413	2.3
85.02901	8.4
89.61726	0.7
91.05471	4.5
94.04165	0.8
95.04977	1.4
97.02868	2.1
98.22592	1.6
103.05420	3.6
105.07025	25.8
107.04912	0.9
109.02902	1.4
109.06509	2.7
115.05391	1.2
117.06998	1.4
119.04923	2.6
121.06486	2.2
122.03618	2.8
123.04428	4.6
124.05315	0.8
127.03937	0.9
128.06230	3.3
131.04890	2.1
131.08531	1.1
133.06483	27.2
134.06815	0.9
135.07991	1.0
137.05968	96.2
138.06297	2.3
143.08546	8.0
145.04936	1.2
145.06500	1.3
147.04404	1.5
148.05188	1.4
149.05949	7.2
151.07532	18.9
153.05486	1.2
161.05966	8.0
161.09593	2.0
163.07550	10.6
164.08197	0.9
165.09105	100.0
166.09450	2.8
171.08073	7.4
175.07523	1.7
177.09009	4.8
179.07001	0.8
189.09094	46.9
190.09454	1.7
190.38992	0.7
191.10648	1.2
198.06282	0.7
207.10110	1.2
235.11206	0.9
239.72701	0.7
255.10040	1.0
263.10886	0.9
276.64215	0.7
287.12866	0.9
295.13354	2.2
313.14310	76.9
314.14713	4.2
316.16998	1.0
331.15622	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14354	0.4
54.41390	0.4
69.03419	0.9
79.05535	0.5
81.07069	0.6
85.02903	2.0
89.44440	0.3
91.05493	0.8
93.61893	0.5
95.04961	0.7
97.02875	0.4
103.05459	4.9
107.04955	0.6
115.05463	0.9
117.07009	1.8
121.97499	0.4
122.03622	0.9
130.00581	0.4
131.04918	11.3
132.05275	0.5
133.06471	1.1
133.10155	0.5
135.08066	0.9
137.05971	22.5
143.08559	0.7
145.04889	0.7
149.05983	0.6
149.09679	0.4
150.06787	0.4
151.03900	0.8
161.05980	2.5
161.09589	4.9
163.07535	100.0
164.07898	2.9
171.08049	1.3
181.08624	1.1
189.09090	20.7
190.09409	1.0
207.10155	21.5
208.10570	0.7
254.73898	0.4
285.11179	0.7
301.10599	0.9
313.14346	1.1
331.11752	0.9
331.15338	1.8
349.09506	0.5
545.48315	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12273	0.5
55.01858	0.8
66.28446	0.7
71.32220	0.9
75.59418	0.5
79.05484	1.1
81.03407	0.7
85.02894	2.6
91.05452	1.2
94.04148	0.6
103.05457	3.6
105.07058	0.8
107.04942	1.1
109.06474	0.6
117.06980	1.4
121.06474	1.3
122.03587	1.1
125.12083	0.6
127.03872	0.8
128.06122	0.5
131.04918	11.2
133.06473	0.7
135.08000	0.7
137.05971	27.9
138.06258	1.6
143.08607	0.9
145.06509	0.8
153.01810	1.9
161.05939	2.1
161.09608	5.1
163.07530	100.0
164.07890	2.6
171.08133	0.8
181.04945	1.1
181.08586	1.0
189.09102	20.8
190.09398	1.0
207.10158	24.1
208.10478	1.2
285.11163	0.9
313.14294	1.9
331.15372	3.7
350.58142	0.7
379.25705	0.6
521.73035	0.6
528.11304	3.9
528.21234	1.8
529.11859	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.6
55.01873	4.3
61.02922	2.5
69.03420	6.8
69.26923	2.0
71.32654	4.1
72.34204	2.6
79.05495	7.9
81.03414	3.9
83.46886	2.1
85.02898	22.8
91.05477	11.0
93.07046	5.7
95.04958	4.5
97.02880	5.0
103.05457	23.2
104.06293	4.3
105.07030	27.6
107.04946	15.5
107.08636	1.9
109.02883	2.5
115.05399	3.4
119.05006	3.5
121.06519	15.5
123.04420	16.0
127.03910	3.8
128.06256	3.2
131.04922	22.8
132.05714	3.5
133.06487	29.6
135.08049	8.0
137.05966	47.6
143.08519	2.2
145.04906	3.0
147.04405	12.9
147.08035	3.4
148.05133	3.7
149.05980	49.8
150.06322	2.3
151.07550	16.2
161.05974	59.2
161.09621	6.8
163.07529	55.3
164.08333	73.1
165.09119	38.5
167.07022	9.3
168.07500	2.4
169.08589	2.3
175.07587	8.2
179.07039	5.0
180.07634	2.4
181.08653	2.4
187.07655	2.4
189.09102	41.1
193.08583	21.6
207.10156	100.0
208.10483	4.3
285.11401	10.7
295.13165	2.7
313.14276	16.4
331.15341	31.6
399.48584	2.1
447.56967	2.2
528.21814	2.6
529.16852	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	528.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.1
55.01861	5.8
57.03434	3.0
61.02909	1.7
66.37163	1.5
67.05470	1.5
69.03418	7.5
69.99291	4.5
73.02931	1.5
79.05478	5.3
81.03407	2.8
81.07082	1.9
85.02901	24.9
91.05492	6.9
93.07022	3.6
95.04961	2.7
97.02886	5.6
103.05470	34.1
105.04510	1.5
105.06362	2.0
105.07034	26.6
107.04924	8.6
109.02850	3.0
109.06535	2.4
113.17246	1.5
115.05458	2.5
117.25048	1.4
119.04926	4.4
121.06516	18.2
123.04424	22.9
124.04685	1.4
127.03899	5.0
128.06171	1.6
131.04921	30.1
132.05681	2.5
133.06497	25.6
135.08008	10.6
135.51776	1.7
137.05980	32.2
143.08542	4.3
145.04962	1.9
145.06470	1.6
147.04424	10.7
147.08070	4.0
148.05186	5.6
148.46169	1.5
149.05978	72.9
151.07539	20.4
153.05466	1.5
161.05983	47.0
161.09578	8.9
162.06325	1.5
163.07541	45.9
164.08322	70.7
165.09119	23.0
166.63837	1.4
167.07045	8.6
171.08098	3.7
172.69139	1.5
175.07541	10.3
177.05557	1.6
179.07028	11.3
180.07762	2.3
181.08588	2.4
189.09088	46.0
190.09392	1.9
193.08589	36.4
203.06967	2.2
207.10158	100.0
208.10475	2.3
221.64690	1.4
267.10239	2.1
285.11188	19.6
295.13477	1.7
313.14288	15.8
331.15372	51.7
331.19360	2.6
332.15588	2.7
528.22144	1.5
529.20270	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	528.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
60.92412	2.0
61.82658	2.9
64.70979	2.0
67.05502	3.2
69.03436	3.8
69.07072	3.8
69.12698	18.3
69.13115	5.5
79.05511	4.2
81.07052	7.8
82.00029	2.6
83.08607	2.8
85.02902	7.5
85.73182	2.3
91.05489	4.3
93.07030	5.2
95.04997	3.7
95.08618	9.9
97.06540	5.5
97.11284	2.4
98.85310	2.4
99.40321	2.1
100.11260	6.7
101.73769	2.4
105.07047	8.1
107.08604	6.3
109.06503	5.7
109.10172	7.3
119.08599	9.4
121.06518	4.9
121.10159	3.2
131.08556	5.2
133.06451	3.1
133.10114	5.2
135.08101	3.9
137.05952	4.6
143.08559	3.8
145.10156	9.1
147.08040	2.5
147.11708	6.1
149.09659	3.2
149.13277	2.6
157.10117	6.6
159.11731	4.6
161.13257	9.7
165.05521	3.0
167.07042	3.3
169.10143	3.7
171.11639	4.3
173.09573	4.2
173.13312	7.9
180.08902	2.8
182.15477	3.3
183.11703	9.5
185.13293	3.2
187.14879	2.9
197.13290	7.8
199.14819	6.2
201.12790	4.2
210.14812	2.9
211.14867	5.5
213.16446	7.1
215.17932	4.6
229.15941	9.1
229.19571	3.4
239.17934	46.4
257.18991	100.0
258.19373	7.5
259.16583	2.3
264.62640	2.4
267.17236	2.8
272.55124	2.6
275.20187	4.0
285.18491	46.4
303.19531	54.6
331.19016	55.2
332.19498	5.7
349.20062	38.1
350.20059	3.2
528.24963	18.2
528.32587	4.8
529.19012	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	528.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	6.1
55.18769	1.8
57.03430	7.8
57.07077	13.4
59.05019	3.5
62.49915	1.7
69.03436	16.7
69.07069	59.8
69.09489	16.4
71.04984	6.3
71.08630	8.6
73.02898	2.6
73.06538	11.5
83.55998	1.6
84.25884	1.8
85.02899	16.5
85.10202	4.5
87.04463	6.3
89.06025	30.2
97.02895	16.0
105.06984	1.9
105.07747	1.8
111.11720	92.4
112.12058	3.7
115.03928	11.6
127.03944	2.3
129.12753	100.0
130.13078	2.0
133.04997	10.9
145.04970	2.3
199.16946	22.4
201.40149	1.7
208.48259	1.8
213.31003	1.9
217.18001	26.0
233.13724	2.0
334.99005	1.8
498.00391	1.9
528.32080	5.0
529.33038	6.6
535.80951	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.4
55.05506	7.6
57.03445	6.0
57.07074	11.2
59.04996	3.0
61.02917	4.5
67.05495	2.5
69.03428	10.4
69.07067	52.0
69.27997	7.8
71.01351	1.8
71.04991	4.7
71.08633	8.5
73.02913	21.1
73.03294	1.5
73.06554	12.5
76.01549	0.9
79.05492	3.3
81.03429	4.5
81.07043	3.2
83.08624	3.5
85.02902	23.3
85.10175	3.6
87.04462	2.0
89.06027	29.6
91.05489	2.9
93.07037	4.3
95.04958	1.4
95.08614	1.7
96.08920	1.3
97.02885	20.6
97.06528	1.3
98.22572	2.1
99.04457	1.1
99.11760	1.3
103.03921	1.2
105.07025	2.7
107.04929	2.6
107.08568	3.7
109.02865	1.5
109.10182	2.3
111.04483	1.1
111.11717	81.3
112.12048	2.1
115.03912	8.9
119.08530	2.5
121.02853	1.1
121.06504	1.2
121.10146	2.6
127.03876	7.1
127.13753	0.9
129.12750	100.0
130.13075	2.3
131.08566	1.7
133.04965	8.3
137.05959	2.8
138.06262	1.6
145.04938	7.0
153.01781	1.9
163.06041	3.0
165.09166	1.9
167.07048	5.4
191.10629	1.7
195.98613	1.1
199.16927	21.6
200.17337	1.1
204.02827	1.0
217.16063	0.8
217.17972	22.6
218.18321	1.7
263.02881	1.1
349.27127	1.3
365.85526	1.1
367.15210	1.2
475.26563	1.3
528.24146	8.6
528.37256	1.7
529.20459	84.5
529.32709	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28382	2.4
53.03946	7.1
55.01876	13.8
55.05510	37.4
57.03186	2.8
57.03440	27.3
57.07068	2.4
58.83716	2.2
59.04987	5.0
59.68897	2.2
65.03912	2.5
67.05503	40.3
68.05822	2.2
69.03448	4.4
69.07062	12.2
69.77632	5.7
69.78035	8.9
71.04984	9.5
75.53074	2.1
79.05486	49.7
81.03413	75.2
81.07053	47.9
83.01352	8.9
83.04978	28.5
83.08618	38.7
85.02904	24.8
85.06540	2.7
91.05474	49.3
93.07040	43.2
95.04968	26.3
95.08609	21.2
97.02867	5.5
97.06535	7.5
97.10175	6.6
98.22649	3.3
99.04440	3.0
99.08117	3.0
105.07034	34.9
107.04948	17.8
107.08588	25.1
109.06505	13.1
109.10171	9.2
111.04465	3.4
111.08058	13.6
115.05463	3.4
117.07003	10.7
119.08584	28.8
121.06490	6.5
121.10130	23.6
123.04524	2.2
123.08070	17.7
125.05987	2.4
125.09661	3.0
127.52688	2.3
129.07025	14.7
131.08536	15.5
133.06529	2.6
133.10121	14.3
135.08078	3.7
135.11716	11.4
137.09618	5.7
142.07835	3.3
143.08554	3.6
145.10120	21.0
147.08040	5.3
147.11665	14.8
149.09618	6.2
153.12749	3.0
157.10150	15.5
159.11702	2.7
163.11171	28.8
165.12750	4.4
173.09691	5.1
175.11157	11.7
189.11218	3.7
191.10629	4.4
193.12236	53.2
194.12538	3.1
209.11774	12.6
211.13281	87.6
212.13557	2.9
227.12834	6.4
236.14867	16.1
267.15845	17.1
283.15381	100.0
284.15753	3.8
285.16959	59.2
435.05457	2.6
469.42026	2.5
472.46463	2.7
475.27133	14.3
493.27960	68.5
494.28903	3.0
510.34122	5.4
511.33722	2.6
528.36017	22.3
529.35376	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	528.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.5
54.88252	0.4
55.01831	1.1
55.05515	3.2
57.03434	7.4
58.06600	33.9
58.06866	1.6
58.07007	1.2
59.04956	0.4
59.07383	10.3
59.07655	0.5
60.08162	8.7
60.69178	0.4
65.03902	0.6
65.93127	0.4
67.05504	4.7
67.30830	0.4
68.26059	0.3
69.03410	0.5
69.07024	1.7
71.04997	0.5
71.08632	1.9
73.02866	1.1
75.04488	4.0
79.05492	2.9
81.03376	1.1
81.07059	4.2
83.04968	0.6
83.08574	0.9
84.08095	1.1
84.82001	0.3
85.02907	2.3
87.03984	0.4
87.04465	5.4
91.05479	2.8
93.05522	0.5
93.07043	2.5
95.04930	1.6
95.08614	2.6
97.02869	0.4
97.06535	0.8
97.10140	1.1
98.22610	1.0
99.08056	0.8
102.05492	0.9
103.03901	1.1
105.05441	0.7
105.07015	2.4
107.08601	2.2
109.10113	1.6
111.08060	0.6
113.05947	0.5
117.07037	0.6
117.07819	0.4
119.08549	1.4
121.06461	0.6
121.10117	1.5
123.04380	1.3
123.08029	0.8
125.09612	0.6
129.07030	0.5
131.07054	2.2
131.08511	0.9
133.10069	1.1
135.07970	0.6
135.11652	0.9
139.03838	1.0
144.10201	8.1
145.10126	1.0
147.04384	0.8
149.09608	0.5
151.03899	1.0
151.07570	0.7
151.11122	0.6
157.10010	0.6
161.13219	0.5
162.11235	4.4
163.11191	0.6
165.05399	0.6
166.83766	0.4
177.12794	0.4
179.06946	0.5
185.93367	0.4
193.12172	0.4
200.12717	0.4
212.15587	0.4
218.13904	1.0
227.12634	0.5
236.14915	100.0
237.15215	3.0
255.59393	0.4
283.15323	0.6
293.21118	1.9
410.25204	0.8
423.22000	0.8
423.27277	4.9
424.27689	0.5
428.26431	3.4
451.26907	2.8
475.27036	0.6
492.33118	2.1
493.26666	1.3
510.34256	29.4
511.34595	2.3
528.35364	72.6
529.36121	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	528.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58628	1.4
52.29287	1.4
55.05516	3.9
57.07076	26.4
67.05499	5.2
69.07064	5.2
70.66125	3.5
70.66457	1.7
70.89471	1.3
71.08636	24.2
73.06540	8.1
79.05471	4.0
81.07050	7.6
83.08620	6.3
85.10181	21.9
87.04474	6.3
89.06029	100.0
90.02879	1.4
90.06353	2.4
91.05473	4.7
93.07028	5.1
94.07400	2.9
95.08607	6.5
96.08940	1.6
97.10130	2.8
99.11701	2.1
105.07047	4.6
107.07105	2.9
107.08562	8.3
109.06560	1.8
109.10130	2.4
117.09147	7.2
118.03737	1.6
119.08597	7.0
121.10168	4.3
131.08563	2.6
133.08604	45.4
133.10159	3.9
134.08914	2.5
135.11696	3.5
141.16371	5.3
145.02843	5.0
145.10094	3.7
146.10513	1.5
147.11662	1.8
161.13242	2.0
173.13286	1.7
177.05478	7.2
177.11220	21.9
178.05804	2.1
185.13412	1.8
185.18987	5.8
189.16473	2.2
221.13887	3.1
229.21603	8.5
256.26239	1.7
265.16461	1.9
273.24210	3.7
327.20413	2.3
371.22485	2.3
511.38370	5.3
528.33630	8.1
529.22217	15.7
529.35327	19.8
544.06183	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.4
55.05487	1.2
57.03431	8.7
67.05504	1.5
71.04992	44.3
71.31592	2.0
73.02931	1.4
75.04493	2.1
79.05502	1.9
81.03416	1.7
83.04972	1.6
85.02905	44.6
91.05495	3.7
93.07056	1.6
95.04926	1.3
97.02901	2.1
98.23367	1.1
99.04474	1.5
105.07034	1.1
106.66992	1.2
107.04987	1.7
107.08607	1.8
109.02901	1.5
111.04432	2.1
119.04894	2.8
121.02824	2.8
129.05467	7.7
137.05981	4.5
139.03902	1.9
147.04431	1.8
147.06563	1.7
151.03911	2.0
153.05548	1.7
159.78313	1.1
159.85738	1.1
163.03903	2.9
165.05394	1.2
167.07036	1.6
175.03908	2.8
179.07082	1.6
181.08578	1.3
189.09088	1.6
193.05150	1.3
207.06421	5.5
217.08647	9.4
218.05679	2.5
219.01846	1.4
221.08086	7.3
231.10132	4.6
233.08078	87.3
234.08681	7.8
244.07288	3.3
245.08058	12.3
245.11795	1.9
247.09497	1.8
248.06950	1.4
255.10085	2.5
257.08005	1.9
258.08746	1.2
259.06949	1.9
259.09641	18.4
260.10037	1.5
263.09140	100.0
264.09561	2.5
271.09579	2.6
273.11179	12.7
283.09595	4.4
287.09128	44.6
287.12329	2.4
288.09439	1.3
295.02429	1.3
299.09167	10.8
301.10776	3.4
303.08679	1.2
311.09033	9.7
312.09384	1.2
317.10162	29.7
318.10501	1.9
329.10135	22.0
347.11227	16.2
365.12335	37.1
383.13370	59.6
384.13681	2.9
529.20477	1.7
529.26099	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	529.2043
Annotation	Physalin Y
Peak:m/z	Relative Intensity
53.96726	0.4
57.07078	0.5
57.51457	0.5
67.05517	1.2
69.03432	1.0
69.07067	1.1
71.31663	0.6
79.05494	0.8
81.03425	0.9
81.07062	2.4
85.02894	0.9
87.04446	0.5
91.05494	1.4
93.07040	1.8
95.05000	0.8
95.08616	0.9
97.02913	0.8
105.07037	1.6
107.08601	1.4
109.02842	0.5
109.06525	0.5
109.10157	0.8
119.08612	1.4
121.10205	1.2
123.04472	0.5
135.11711	0.6
137.05989	1.1
147.04448	0.5
151.03929	1.2
153.01830	0.9
153.05586	0.5
153.62210	0.5
159.11691	0.7
163.11182	0.6
181.12245	0.5
185.04243	0.7
187.11217	0.5
189.92917	0.5
199.97740	0.4
211.15556	0.5
272.35248	0.5
309.09622	0.7
318.24997	0.5
339.12421	0.8
367.15283	1.3
367.20181	0.5
529.20453	100.0
529.32050	5.7
530.20868	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	529.2042
Annotation	Physalin Y
Peak:m/z	Relative Intensity
53.03939	0.5
55.01871	0.4
55.05508	0.9
55.11007	0.3
57.02502	0.3
57.03428	1.3
58.06600	2.3
59.06930	0.3
59.07378	0.9
60.08157	0.6
67.04681	0.3
67.05502	1.2
69.03395	0.3
69.07047	0.5
70.81290	0.3
71.04998	0.4
71.33026	0.6
73.02934	0.4
79.05489	1.6
81.03418	0.5
81.07037	1.6
83.01098	0.7
83.04972	0.3
83.19948	0.3
85.02914	0.5
87.04472	0.8
91.05450	1.5
93.07018	1.2
95.01089	1.2
95.04943	0.9
95.08606	0.8
96.01887	0.7
97.02924	0.3
97.06551	0.4
103.05457	1.0
105.06997	1.6
107.04953	5.7
107.08591	1.3
109.06499	0.4
109.10144	0.8
113.02130	1.7
115.05418	0.7
117.07009	0.8
119.08584	1.1
121.06518	0.4
121.10143	1.0
125.09624	0.4
131.04901	0.7
131.08612	0.8
133.10132	0.8
135.04405	0.4
135.08066	0.6
135.11734	0.5
137.05984	0.7
137.09592	0.6
143.08527	0.5
145.10101	0.7
147.11665	0.6
149.05957	0.4
151.03908	0.4
151.07530	0.5
157.04712	0.4
157.10226	0.4
159.11722	1.0
163.07529	3.2
163.11177	0.4
167.03156	0.6
171.04129	1.6
175.07553	0.3
185.04233	2.3
185.05710	0.5
185.13382	0.4
186.06509	14.6
187.07278	1.8
189.09225	0.3
201.03690	3.3
203.05246	1.5
236.14870	4.3
237.15265	2.1
275.20135	0.6
306.13821	0.3
349.10220	0.4
349.13950	1.7
349.23755	0.9
365.11917	2.0
367.15118	0.8
455.20508	0.3
465.26587	0.5
528.35443	1.1
529.20422	100.0
529.34088	9.7
530.20721	7.9
530.33807	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.3
55.05510	0.5
57.03436	0.4
58.06596	0.3
61.02940	0.3
67.05508	1.2
69.03419	0.6
69.07066	0.6
71.05001	0.4
71.31942	0.3
79.05495	0.7
81.03416	0.6
81.07048	1.5
81.84918	0.2
82.07378	0.2
83.04990	0.3
83.08629	0.3
85.02900	0.9
86.09682	0.3
91.05474	1.1
93.07041	1.4
95.04978	0.5
95.08614	1.0
97.02879	0.5
97.06543	0.7
100.07598	0.2
105.07044	1.0
107.04957	0.4
107.08589	1.0
109.06486	0.4
109.10170	0.7
111.04445	0.2
113.02145	0.3
115.03895	0.2
117.07021	0.4
119.08609	0.9
121.06522	0.4
121.10164	0.6
123.04454	0.2
125.09642	0.5
127.03887	0.4
131.01079	0.8
131.08588	0.5
133.10115	0.6
135.11726	0.5
137.06007	0.5
139.03911	0.4
141.05309	0.4
145.10081	0.5
147.04414	0.6
147.07974	0.3
147.11630	0.4
149.09465	0.3
151.03915	0.6
151.07584	0.2
159.07906	0.3
159.11728	0.5
163.07533	0.3
169.04884	0.4
171.04166	16.8
171.11713	0.4
172.04926	2.8
177.12874	0.2
185.04204	4.1
185.05878	0.3
186.06612	0.2
187.07350	0.6
187.14810	0.4
189.05319	0.5
213.16449	0.3
221.07959	0.3
236.15001	0.6
248.13527	0.2
267.91321	0.3
275.19965	0.4
294.07138	0.9
303.08539	0.3
321.09320	0.3
327.17307	0.3
334.10260	2.3
335.10931	1.7
349.23727	0.4
367.15149	7.9
367.19693	0.5
368.15741	0.6
526.85175	0.3
529.20422	100.0
529.32477	13.4
530.20801	9.9
530.33832	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.4
55.05486	0.4
57.03407	0.3
58.58029	0.3
66.26963	0.3
67.05503	1.3
68.71200	0.3
69.03428	0.7
69.07067	0.4
69.64394	1.9
71.04980	0.5
73.47955	0.3
79.05487	1.4
81.07050	1.6
83.04981	0.4
85.02915	0.9
91.05463	1.0
93.07038	1.2
95.04982	0.5
95.08604	0.9
97.02826	0.3
97.06493	0.6
97.10155	0.4
105.07034	0.8
107.08591	1.5
109.10131	0.4
113.02127	0.5
119.08573	0.9
121.06531	0.4
121.10145	0.9
123.04456	0.6
125.09612	0.5
127.03867	0.4
131.01010	0.4
133.10139	0.9
135.08028	0.4
135.11807	0.5
137.06035	0.4
137.09641	0.4
139.03941	0.5
143.08551	0.4
145.10150	0.6
147.11691	0.4
151.03894	0.7
151.07500	0.4
169.04739	0.4
171.04158	16.0
172.04950	2.4
185.04193	3.8
187.07321	0.5
235.44479	0.3
236.14963	1.2
237.15198	0.4
265.71643	0.4
294.06992	0.6
303.08844	0.5
321.10074	0.4
334.10114	3.1
335.11020	1.9
367.10654	0.5
367.15161	8.5
368.15619	0.7
528.35272	0.4
529.20416	100.0
529.32458	12.6
530.20807	8.3
543.40454	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05513	1.5
69.03424	1.1
71.04990	3.1
71.30835	1.5
71.31226	1.8
72.08170	1.5
73.41920	1.0
84.08142	2.2
85.02897	3.0
91.05518	1.7
97.02917	1.4
109.10163	1.8
115.05457	2.2
117.05762	1.7
117.07043	1.3
118.06550	21.7
118.07393	1.3
119.00089	1.2
124.31686	1.0
127.11205	11.4
130.06525	1.4
132.08086	4.7
142.06535	1.3
143.07320	3.2
144.08075	13.7
145.12233	5.3
146.06007	65.1
147.06363	1.9
150.11516	1.4
159.09158	6.3
163.13304	4.1
167.07053	1.3
168.29419	1.0
170.06027	2.7
188.07063	100.0
189.07368	5.5
205.09720	41.1
206.10023	2.1
248.88280	1.3
261.05432	1.6
309.11389	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	6.2
57.07076	3.0
60.98180	1.6
67.05501	11.1
69.07082	8.7
69.32541	11.3
73.65809	2.0
79.05499	7.7
80.50978	1.8
81.07050	17.2
83.04987	2.7
83.08612	2.8
91.05486	7.1
93.07036	19.4
95.04944	1.9
95.08604	27.0
97.06463	1.9
97.10169	3.8
98.22583	3.0
105.07030	20.0
107.08585	22.6
109.06492	2.1
109.10146	10.9
117.07044	4.3
119.08573	32.5
121.06489	2.1
121.10136	18.6
123.08086	2.7
123.11695	4.9
129.07034	2.1
131.08563	8.2
133.10115	30.1
134.10469	1.9
135.08055	3.8
135.11665	18.6
143.08565	3.5
145.10097	17.0
147.11688	12.8
149.09602	2.1
149.13278	6.8
151.11157	2.1
155.08484	2.8
157.10149	7.7
158.10988	2.6
159.11702	7.8
161.09648	3.5
161.13263	10.4
163.11166	3.0
163.14880	3.2
169.10022	2.8
171.11696	6.7
172.12477	2.3
173.09665	2.7
173.13210	9.8
175.11313	1.8
175.14810	55.5
176.15150	2.7
177.12808	2.1
177.16449	3.3
183.11688	2.4
185.13312	6.3
187.11182	2.4
187.14774	12.9
189.12729	2.5
189.16414	16.0
191.18037	3.3
197.13235	2.8
198.67462	1.9
199.14874	8.1
201.16406	4.0
205.15901	2.7
211.14745	2.7
213.16399	5.3
215.14319	9.7
217.15874	4.7
217.33186	1.8
223.14911	2.0
225.16455	3.0
227.17937	4.1
229.19557	2.6
231.17435	2.9
233.15367	2.5
239.17984	3.1
241.19519	2.7
243.17422	2.7
249.18440	1.9
253.19449	3.2
255.21135	1.8
265.19321	2.2
357.24271	4.2
387.30231	4.8
405.31650	11.4
423.32520	7.5
433.31070	13.3
451.32071	100.0
452.32562	9.6
469.27841	2.6
469.33023	63.3
470.33469	3.1
511.34555	15.6
512.34644	2.3
529.20551	4.4
529.27771	44.2
529.34894	38.9
530.28064	3.7
530.35437	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	529.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.2
57.07055	1.4
57.91336	0.5
67.05504	4.6
69.07066	2.2
71.04963	0.6
71.08622	0.8
79.05495	2.5
81.03414	3.3
81.07063	4.9
83.08650	1.2
85.10174	0.6
89.06010	2.4
91.05467	3.0
93.07034	2.6
95.04961	1.2
95.08625	4.0
97.10168	1.4
105.07029	2.4
107.08579	1.7
109.10147	1.9
111.08068	0.8
115.82082	0.6
119.08597	2.6
121.06477	0.6
121.10142	1.7
131.08568	1.4
133.08569	0.6
133.10132	0.9
135.11681	1.1
145.10117	1.3
146.41518	0.6
147.11720	1.1
149.09665	0.6
149.13245	1.1
157.10091	0.8
175.14937	0.9
175.60019	0.6
193.12259	0.7
198.97440	1.6
256.26321	3.8
259.66675	0.6
288.61081	0.6
307.26178	0.6
353.26636	4.7
417.29404	0.6
428.90665	0.6
529.29846	100.0
530.30042	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	529.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97762	0.4
53.63289	0.4
55.05509	1.4
57.07069	0.8
67.05479	2.3
69.07060	1.1
69.32405	2.8
73.28688	0.4
75.36166	0.4
79.05479	1.2
81.03410	0.7
81.07053	2.5
83.04990	0.5
83.08611	1.0
91.05484	1.7
93.07039	2.1
95.04974	0.5
95.08588	2.8
97.06543	0.6
98.23376	0.8
105.07047	1.3
107.08569	1.4
109.10176	1.1
117.07030	0.5
119.08569	1.4
121.10129	1.1
123.11778	0.7
129.07028	0.4
131.08569	1.1
132.07094	0.4
133.10146	1.0
135.11702	1.1
145.10103	1.2
147.11697	0.5
149.13223	0.5
157.10126	0.9
159.11696	0.5
161.13268	0.6
163.00072	0.6
163.11107	0.4
175.14801	1.0
185.13388	0.5
187.14847	0.7
189.16400	0.8
191.10678	0.4
193.12236	0.5
199.02243	0.8
291.06583	0.4
353.26633	7.0
395.27594	1.1
529.29785	100.0
530.30188	7.1
546.22144	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3523
Annotation	Camarinic acid
Peak:m/z	Relative Intensity
55.05512	5.0
57.94891	2.8
58.00708	3.0
67.05493	11.6
69.07058	8.5
69.24224	11.6
69.24649	12.2
79.05483	9.7
81.07057	22.9
83.04991	3.4
83.08619	3.0
91.05482	12.4
92.25958	3.2
93.07047	14.2
95.08597	21.6
97.06525	4.5
98.22504	6.0
102.97308	3.1
105.07018	21.4
107.08589	17.0
109.06515	3.6
109.10151	10.0
117.07040	3.7
119.08557	20.4
121.10130	8.4
123.08038	6.7
123.11713	5.6
131.08586	11.0
133.10109	11.6
135.11696	6.7
137.09677	3.6
145.10114	13.2
147.11690	8.8
149.09599	3.7
149.13199	4.8
157.10139	6.8
159.11726	11.7
161.13266	4.9
169.10190	4.3
171.11716	4.6
173.13260	9.3
175.14828	8.1
177.05426	6.5
177.16423	3.6
185.13295	4.9
187.14803	10.9
189.16367	9.8
195.11752	3.6
201.16411	5.4
203.17897	4.2
208.88919	2.8
217.15855	7.0
286.57968	3.7
394.03275	2.9
405.31516	7.1
451.32181	6.7
483.34705	4.1
511.34610	5.3
529.35443	100.0
530.34924	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	529.3523
Annotation	25-O-Acetyl-7,8-didehydrocimigenol
Peak:m/z	Relative Intensity
55.05512	6.7
57.07068	1.5
59.23311	0.8
65.03937	1.1
67.05495	7.8
69.07068	8.6
70.48792	2.7
79.05476	6.4
81.03423	1.3
81.07053	11.7
83.04941	1.1
83.08617	3.8
91.05484	6.6
93.07037	15.0
95.04946	1.5
95.08606	20.2
97.06527	2.3
97.10172	1.2
105.07030	13.9
107.08582	17.7
109.06551	1.5
109.10152	8.6
111.08051	1.5
117.07039	3.5
118.54633	0.8
119.08576	29.3
121.06490	2.6
121.10132	16.3
122.10451	1.0
123.08069	2.8
123.11709	3.4
125.09653	1.2
127.11112	0.9
129.06972	1.4
131.08566	6.4
133.10118	28.1
134.10426	1.3
135.08031	2.6
135.11684	14.3
137.09581	2.2
139.11147	1.1
143.08540	3.2
145.10112	11.8
147.08069	3.0
147.11646	7.5
149.09630	1.7
149.13231	6.8
153.09175	0.9
155.08536	1.6
157.10109	5.2
159.08034	1.2
159.11676	9.2
161.09631	3.1
161.13228	9.8
163.07649	1.2
163.11136	1.4
163.14803	2.9
169.10126	2.6
171.11688	6.6
172.12421	1.5
173.09526	1.3
173.13275	6.9
175.11275	1.7
175.14807	49.9
176.15138	2.2
177.12691	2.2
177.16331	2.4
181.10059	1.1
183.11719	2.8
184.12381	1.1
185.13281	4.4
187.11119	1.2
187.14813	10.8
189.12759	2.3
189.16373	16.7
191.14297	1.2
191.17975	2.2
197.13225	2.3
199.14803	7.2
200.15080	1.1
201.12813	1.6
201.16399	4.0
203.14299	1.9
203.17941	1.3
205.15901	1.9
209.13257	2.0
211.14778	2.3
213.16380	2.5
215.14301	10.8
215.17860	1.6
217.15866	5.9
225.16370	2.7
227.17952	2.3
229.19562	2.1
231.17488	1.3
233.15248	2.4
235.16885	1.9
237.16396	1.5
241.19490	3.6
243.17693	1.4
245.18945	1.1
253.19490	1.7
255.20973	1.0
263.18164	1.1
265.19586	1.5
269.07303	1.1
283.20755	1.2
287.20108	1.0
289.17935	2.0
297.21964	1.8
329.20990	1.5
339.23010	1.2
343.22519	1.9
357.24371	3.5
387.30469	2.8
405.31506	11.2
423.32635	5.1
425.33813	1.0
433.31085	9.0
434.31384	1.4
439.32007	1.9
451.32031	100.0
452.32364	9.8
469.33054	42.2
470.33084	4.0
483.34357	1.3
511.34253	9.4
529.21503	5.6
529.28119	4.0
529.35468	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	529.3522
Annotation	25-O-Acetyl-7,8-didehydrocimigenol
Peak:m/z	Relative Intensity
53.94008	1.4
55.05510	9.6
57.07066	1.7
67.05504	12.9
69.07075	7.5
69.09127	6.6
69.09547	9.0
69.21279	1.7
71.05001	1.5
72.23574	1.4
79.05484	10.6
81.07053	21.9
83.04997	2.1
83.08609	7.2
88.77121	1.3
91.05468	8.6
91.93799	1.4
93.07041	21.0
95.04961	2.1
95.08604	36.0
97.06516	2.6
97.10180	1.6
105.07018	21.2
107.08595	28.2
109.06491	2.0
109.10152	12.9
111.08054	2.0
117.06985	3.0
119.08569	28.0
121.06480	1.6
121.10144	14.3
123.08056	3.0
123.11708	4.8
129.07001	3.1
131.08548	9.0
133.10124	17.4
135.08005	3.2
135.11690	12.4
137.13307	1.8
140.26923	1.4
142.60275	1.6
143.08521	5.8
145.10110	13.6
147.11656	10.2
149.13252	8.2
155.08542	1.4
156.09335	2.0
157.10144	6.2
159.08058	3.6
159.11668	10.6
161.09575	4.4
161.13217	7.8
163.14844	8.4
169.10149	3.9
171.11682	5.4
173.09607	3.3
173.11887	2.1
173.13177	8.2
175.14806	21.6
177.16463	3.8
181.10074	2.7
183.11658	2.7
184.09543	1.7
185.09740	1.6
185.13268	5.6
187.14803	12.5
189.12721	2.5
189.16379	16.6
193.12323	2.3
199.14807	7.6
201.16391	6.7
203.14304	6.7
205.15857	5.2
209.07526	1.5
209.13210	1.9
211.14842	2.6
213.12878	1.8
213.16357	4.5
215.14262	7.2
217.15887	6.6
221.13210	2.2
223.14783	1.9
225.16388	5.4
227.17912	4.4
229.19475	3.1
231.17448	2.3
235.16806	2.8
239.17897	3.5
241.19376	3.5
243.17397	6.5
245.15326	2.7
251.06781	1.7
256.26401	2.5
269.18988	2.9
271.16754	2.0
279.20932	2.8
289.17929	10.5
343.22485	2.1
375.30426	3.6
387.30527	3.6
393.31519	8.1
395.25638	2.1
405.31656	8.0
421.30847	4.5
423.32599	5.2
433.31055	6.8
439.32059	55.4
440.32263	4.7
451.32059	58.2
452.32385	8.3
469.33145	100.0
470.33508	11.1
483.34814	2.0
511.33713	2.7
529.24927	2.9
529.35107	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	529.3522
Annotation	25-O-Acetyl-7,8-didehydrocimigenol
Peak:m/z	Relative Intensity
55.05507	4.1
57.24626	0.8
67.05495	6.1
69.07063	5.7
71.34087	1.4
76.98340	0.8
79.05487	4.4
81.03376	1.0
81.07049	7.9
83.04976	1.2
83.08614	3.1
91.05473	6.0
93.07040	9.0
95.04984	1.3
95.08608	14.9
96.77602	0.8
97.10160	1.7
99.08096	1.0
105.07023	13.1
105.14571	0.9
107.08589	10.6
109.06508	1.0
109.10162	4.7
111.04385	0.8
117.07000	1.6
119.08575	32.6
121.06490	1.8
121.10129	8.5
123.08060	1.6
123.11696	2.3
125.09658	0.9
126.45183	0.8
129.06973	1.7
131.08588	4.7
133.10114	29.5
135.08006	1.7
135.11684	6.9
137.09651	1.1
141.38779	0.7
143.08539	3.4
145.10129	9.1
145.13863	0.9
147.11662	7.7
149.09618	1.1
149.13243	3.8
153.09073	1.0
155.08569	1.1
157.10126	3.5
159.11632	5.5
161.09625	2.1
161.13245	5.6
163.14771	2.2
169.10086	1.2
171.11629	2.5
173.13269	8.8
175.14807	100.0
176.15178	4.0
177.16336	1.9
183.11655	1.8
185.09515	0.9
185.13315	2.1
187.14793	8.7
189.12761	1.1
189.16383	20.9
189.17906	0.8
190.16682	1.4
195.00340	0.8
195.11746	0.9
197.13211	1.9
199.14822	3.7
201.16393	2.5
203.14281	1.2
207.17395	1.3
211.14883	1.5
213.16451	2.0
215.14273	4.8
215.17801	1.7
217.15878	4.9
225.16385	1.1
227.17847	1.6
229.19524	1.1
231.17496	1.2
233.19080	1.2
235.16881	3.2
239.17923	1.4
241.19583	1.6
243.17505	1.3
245.18797	1.0
256.26334	1.6
263.16443	1.1
311.23615	0.9
329.20923	1.8
343.22562	1.2
357.24316	2.4
387.30283	2.2
405.31497	6.0
423.32434	1.7
433.30978	4.4
451.32043	80.4
452.32413	8.0
455.04208	0.9
467.31931	1.1
469.32907	11.9
470.64877	1.1
511.34109	14.3
512.34131	1.5
529.22040	12.3
529.35315	14.0
530.22192	1.3
530.35376	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	1.0
51.02383	1.3
53.03949	7.4
55.01872	3.0
55.05510	27.5
57.03431	4.0
57.07080	4.4
65.03941	5.3
66.04736	0.8
67.05505	91.2
68.05825	1.1
69.03432	0.9
69.07071	27.5
69.07458	6.5
70.07408	0.9
71.04996	4.7
71.08640	1.6
74.89939	0.6
77.03943	1.3
79.05492	75.3
80.05825	0.9
81.03423	8.1
81.07056	100.0
82.07401	1.5
83.04984	4.9
83.08621	18.1
85.06533	4.2
87.04488	1.1
91.05480	52.1
92.05811	1.2
93.07044	82.7
94.07386	2.0
95.04968	10.5
95.08606	49.0
96.08975	1.0
97.06528	8.2
97.10164	4.4
99.08105	2.4
105.04526	3.3
105.07029	32.7
107.04956	1.8
107.08595	40.6
108.08937	1.1
109.06535	2.6
109.10155	15.2
111.08067	4.4
115.05463	2.2
117.07016	15.1
119.06097	0.7
119.08584	21.9
121.06521	2.2
121.10138	28.9
123.08076	1.8
123.11710	6.6
125.09637	1.5
128.06258	1.4
129.07019	5.4
130.07791	0.9
131.08568	25.5
131.49751	0.7
132.08945	0.6
133.10132	25.6
135.08072	1.7
135.11697	19.1
137.09634	2.4
137.13240	1.1
139.11198	1.3
141.07010	1.5
142.07825	1.0
143.08568	8.0
145.10120	17.2
147.11699	9.1
149.09619	1.2
149.13257	18.7
151.11212	1.8
155.08591	3.6
157.10121	7.3
159.11688	18.5
159.12943	1.2
161.13277	4.2
163.14890	2.9
167.08543	1.1
167.14455	1.0
169.10146	2.7
171.11662	5.9
173.13252	7.3
173.18127	0.7
175.11287	1.5
175.14851	2.7
177.12688	3.2
181.10176	1.7
183.11774	2.7
185.13274	5.1
187.11333	1.0
187.14819	4.1
189.12756	0.7
193.12332	1.1
195.11826	1.9
195.13786	12.6
197.13326	2.1
199.14853	1.9
201.16420	1.9
205.15872	0.8
209.13303	1.4
211.14853	1.1
213.16469	1.8
215.18002	0.8
217.15875	0.8
223.09273	0.6
223.14822	1.1
225.16499	1.2
227.18138	0.7
237.07585	0.8
243.21080	1.6
256.26462	1.1
259.20639	1.2
261.22174	5.9
271.20532	0.7
273.21838	0.6
275.20496	0.7
291.15219	0.7
293.13980	1.6
299.23840	1.8
313.25446	0.9
317.24777	1.9
325.25372	1.2
331.26367	0.7
353.24152	0.8
419.33017	2.4
425.33929	0.7
437.34253	8.5
455.35263	4.6
459.31638	0.7
473.36270	1.0
493.36591	1.2
511.37897	3.9
529.38861	94.1
530.39093	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	529.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.9
53.03947	6.8
55.01863	2.4
55.05515	22.0
56.05846	0.9
57.03434	4.9
57.07080	7.7
60.54311	0.9
65.03938	4.0
66.04701	1.0
66.19566	0.9
67.05505	78.3
68.05811	1.3
69.03414	2.2
69.06054	6.1
69.06471	2.4
69.06724	2.2
69.07065	24.1
70.06576	4.2
71.04987	4.8
71.08618	3.1
79.05493	66.3
80.05809	1.0
81.03414	4.2
81.07057	92.4
82.07386	1.9
82.36034	1.0
83.04981	5.6
83.08621	21.3
85.06554	2.8
87.04462	3.3
88.07624	2.2
90.76743	0.9
91.05482	41.0
92.05778	1.4
93.07045	69.7
94.07364	1.6
95.04964	8.3
95.08608	46.3
97.06519	7.7
97.10181	6.0
98.23359	1.9
99.08060	2.2
102.09194	1.3
103.05492	1.5
105.04526	4.0
105.06361	1.7
105.07031	29.6
107.04957	1.2
107.08592	42.5
109.06508	3.2
109.10147	16.4
111.08082	5.0
111.11726	1.4
113.09608	1.4
115.05473	1.9
117.07013	14.3
119.08582	17.0
121.06492	2.4
121.10152	28.9
123.08073	1.8
123.11678	5.6
125.09629	2.0
129.06996	4.7
131.08560	21.6
132.10191	1.4
133.10124	16.6
135.08038	1.7
135.11697	16.1
137.09641	1.5
138.13538	1.0
139.11212	1.7
141.07005	1.3
143.08588	5.0
145.10135	12.4
147.11671	8.7
149.09598	1.0
149.13252	21.2
155.08485	1.3
157.10165	5.1
159.11693	17.0
161.13283	4.7
163.14824	2.2
169.10139	2.9
171.11694	4.6
173.13246	6.0
175.14812	3.7
177.12804	4.3
181.10155	1.7
183.11693	2.2
185.13214	4.1
187.14903	2.9
189.12898	1.0
189.16432	1.1
195.11948	1.3
195.13777	9.0
197.13235	1.6
199.14864	2.1
201.16348	1.2
223.14923	1.9
228.23117	1.4
229.23648	1.2
243.21104	1.8
244.22725	2.3
245.23056	1.0
256.26410	1.7
261.22119	6.3
272.25742	2.9
273.26062	2.6
283.26358	4.6
284.26624	3.9
311.29428	1.9
312.29803	2.2
317.24896	1.7
339.23233	0.9
339.27649	1.1
419.33276	1.8
437.34061	7.7
455.34912	3.0
473.36285	2.7
511.37668	2.9
528.49701	4.8
529.38702	100.0
529.50177	18.9
530.39099	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	529.389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	1.2
51.88222	0.8
53.03946	5.8
55.01867	3.1
55.05514	24.1
55.61898	0.9
57.03189	1.0
57.03434	6.5
57.07081	5.9
59.89042	0.8
65.03928	4.4
66.96197	0.9
67.05507	82.2
68.05836	2.4
69.03422	1.5
69.07069	24.6
69.20992	3.3
69.21425	3.5
70.06585	3.3
70.82619	0.9
71.04989	5.7
71.08628	2.6
77.03926	1.8
79.05495	66.7
80.05844	1.1
81.03430	6.7
81.07059	89.5
82.07387	2.0
83.04970	6.3
83.08624	13.8
85.06556	4.4
87.04031	0.7
87.04474	5.8
87.45673	0.9
88.07621	2.3
91.05482	46.7
91.23916	0.8
92.05834	1.6
93.07047	81.2
94.07388	1.1
95.04974	9.0
95.08607	44.3
97.06534	9.5
97.10190	3.3
99.08098	2.9
102.09200	1.8
104.28750	0.8
105.04537	2.4
105.07030	26.6
107.04980	3.9
107.08591	40.9
108.08878	1.0
109.06525	2.9
109.10153	14.3
111.08091	5.0
115.05498	1.9
117.07019	16.1
119.08586	20.7
121.06535	2.8
121.10147	30.3
123.08121	1.9
123.11725	3.6
125.09621	1.6
129.07024	3.9
131.08563	24.1
133.06573	1.0
133.10130	19.3
135.08037	1.8
135.11693	16.8
137.09613	1.6
139.11205	2.0
141.07037	1.7
143.08554	6.0
145.10118	14.2
147.08125	1.3
147.11697	9.1
149.09604	1.6
149.13257	27.6
150.13489	1.1
151.11174	1.7
155.08563	3.0
157.10112	5.2
159.11705	17.5
160.12140	1.1
161.13268	5.1
163.14807	2.3
167.14386	1.2
169.10167	2.8
171.11696	5.8
173.13223	9.0
175.14842	2.2
177.12749	4.2
177.16571	1.0
181.10138	2.3
183.11749	3.1
185.13300	3.6
187.14833	4.7
193.12296	1.4
193.91982	1.0
195.13815	6.8
197.13264	1.1
199.14874	3.1
201.16483	1.7
209.13440	1.0
211.14909	1.7
213.16483	1.2
223.09578	1.1
223.14984	1.1
243.21152	1.1
256.26328	19.0
259.44226	0.9
261.22104	7.1
275.20135	1.1
293.13953	1.6
299.23752	1.1
317.25024	2.3
337.25076	1.0
419.33157	1.8
437.34250	6.3
441.30658	1.0
455.35110	3.3
456.35114	0.9
511.38113	3.4
521.56122	0.9
529.38861	100.0
530.39124	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	529.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	0.4
51.02377	0.8
53.03949	4.9
55.01869	2.5
55.05510	19.7
57.03438	5.4
57.07069	3.5
65.03936	4.3
67.05502	74.2
68.05837	0.9
69.03407	1.2
69.07066	23.6
69.42821	1.0
69.43214	2.5
69.96219	0.5
71.01344	0.5
71.04987	5.2
71.08623	0.6
73.02934	0.4
77.03915	1.1
79.05492	63.2
80.05833	0.9
81.03424	2.1
81.07055	81.9
82.07384	1.6
83.04972	5.3
83.08617	12.9
85.06525	3.5
91.04879	0.9
91.05478	38.1
93.07043	77.5
94.07363	1.3
95.04969	7.4
95.08604	39.2
96.08950	0.8
97.06530	9.7
97.10162	2.7
99.08102	3.3
103.05461	0.5
105.04519	2.3
105.07026	21.8
107.04987	1.1
107.08591	36.9
109.06553	2.9
109.10158	11.9
111.08079	6.3
111.11729	1.3
113.05984	0.5
115.05458	0.9
117.07013	12.7
117.07816	1.0
119.08572	14.9
121.06520	1.5
121.10139	30.3
122.10483	0.7
123.08055	1.0
123.11713	4.4
125.09640	1.3
128.06209	0.7
129.07025	3.8
131.08562	20.2
133.10127	14.5
133.11148	0.6
134.10475	0.5
135.08086	2.1
135.11688	17.3
136.12045	0.7
137.09641	1.0
137.13255	0.7
139.11180	2.4
141.07011	1.0
142.07803	0.8
143.08572	4.3
144.09363	0.8
145.10114	10.4
147.11673	7.5
149.09660	1.1
149.13252	32.0
150.13599	0.7
151.11194	0.7
153.12680	0.7
155.08594	1.1
157.10121	4.0
159.11688	19.5
161.13277	5.0
163.14833	1.7
165.12691	0.7
167.14288	0.6
169.10158	1.5
171.11700	3.8
172.12401	0.5
173.13266	6.0
175.14856	1.6
177.12732	4.8
179.14380	0.8
180.82233	0.4
181.10095	1.1
183.11719	1.7
185.13235	2.5
187.14833	2.4
195.11909	1.0
195.13779	8.5
197.13300	1.4
199.14853	1.7
201.16371	1.0
204.64120	0.5
209.13297	1.0
211.14835	1.0
213.14752	0.9
213.16513	0.6
215.17894	0.6
225.16367	0.6
239.18077	0.8
243.21152	1.8
253.17763	0.5
258.72333	0.6
259.20609	0.8
261.22107	8.4
262.22678	0.6
269.17462	1.4
271.20547	0.5
276.74683	0.5
286.22659	0.5
297.22116	0.7
299.23688	1.4
311.23657	0.8
313.25577	0.7
315.23425	0.5
317.24902	2.3
327.26923	0.5
419.32864	1.4
437.34171	4.4
438.34204	0.6
455.35339	2.8
473.36389	1.0
475.35468	0.7
482.04251	0.5
511.26770	0.5
511.37799	2.6
529.38861	100.0
530.39203	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	529.4089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.6
54.51606	2.3
55.01855	2.6
55.05506	54.2
57.03428	22.9
57.07073	43.9
67.05145	4.6
67.05500	70.2
69.05728	23.8
69.07062	70.5
71.04973	3.5
71.08625	30.2
75.04488	6.6
79.05485	37.4
81.03418	11.7
81.07048	100.0
82.07409	2.1
83.04978	6.6
83.08613	49.3
85.06510	3.8
85.10172	16.8
86.68388	2.3
87.04469	10.4
91.05475	15.8
93.07034	50.7
95.04961	7.3
95.08596	80.7
96.08891	2.9
97.06532	13.9
97.07130	2.5
97.10165	42.0
99.08115	4.1
101.05981	2.9
105.07029	12.8
107.08575	26.2
109.10155	39.0
111.08076	11.4
111.11704	12.8
115.07584	4.1
117.07008	4.1
119.08586	14.8
121.06488	3.3
121.10137	33.8
123.11717	16.8
125.09630	11.0
125.13250	4.0
129.07022	4.1
129.09068	3.9
131.07027	5.1
131.08574	10.4
133.10132	9.3
135.11693	23.9
137.13243	5.9
139.11208	6.1
143.08562	4.9
145.10083	4.4
147.11644	5.9
149.13223	17.6
151.14883	2.5
153.12704	5.9
157.10139	4.3
159.11707	6.5
163.14832	5.8
167.14349	4.1
171.11610	3.3
173.13148	3.6
175.14819	2.5
177.12727	3.4
177.16350	3.5
181.15929	3.0
193.12228	5.9
194.99092	2.4
195.17477	3.8
198.32741	2.4
199.17014	2.9
205.92218	2.7
209.18990	2.7
219.71475	2.8
233.22581	5.0
256.26361	9.4
269.17471	2.7
317.32019	6.3
335.33115	10.6
345.31659	11.7
363.32559	32.0
399.34735	39.1
400.35025	3.9
419.34000	2.5
437.36288	32.0
438.36334	4.2
455.37259	45.0
456.37637	2.9
473.76169	2.4
487.56891	2.4
511.40054	11.8
529.39465	61.2
530.39600	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	530.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33109	14.8
55.45036	11.7
72.89213	12.0
79.05495	17.1
91.05479	63.0
98.23306	33.4
105.07011	58.3
115.54217	14.0
119.04987	15.9
121.06449	21.1
123.04410	28.8
133.06435	36.5
135.04343	20.6
137.05971	46.4
138.06332	19.2
147.11710	16.3
151.07495	20.5
153.01781	28.1
163.07538	20.1
165.09103	100.0
166.09390	24.6
167.07114	17.4
167.09662	19.7
174.91095	13.1
193.08519	40.1
211.09668	90.9
238.34842	15.6
424.68958	13.9
439.81592	15.3
531.21405	21.7
556.53418	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	530.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36190	2.3
55.01864	2.7
56.86052	2.2
70.49541	6.4
73.66316	2.2
75.32500	1.9
75.87070	2.4
77.73380	1.9
79.05497	5.0
84.97195	2.2
91.05475	11.5
93.07057	3.0
103.05482	9.1
105.07034	5.2
106.04173	5.5
107.04952	19.7
117.08753	2.4
119.04933	3.7
121.06496	11.8
123.04436	9.1
128.68193	2.2
129.07027	7.2
131.04909	11.1
131.08606	2.2
132.05704	3.5
133.06445	3.1
135.04463	3.6
135.08064	5.5
137.05980	9.7
146.07269	4.8
148.05205	6.0
149.05952	12.6
151.07484	5.4
152.04639	2.1
153.05444	4.7
153.09064	3.6
157.06490	4.3
159.07965	2.4
161.05977	100.0
161.09601	23.9
162.06276	4.4
162.10117	2.6
163.03989	2.3
163.07541	25.2
165.05524	4.8
165.09200	2.1
167.07018	36.2
169.09827	2.2
174.06837	3.2
175.07515	7.3
177.05478	7.7
180.07831	5.8
181.05005	2.4
181.08568	20.9
189.09108	61.4
190.09418	3.3
191.07002	14.0
192.07782	7.7
207.10152	99.0
208.10640	2.7
209.08078	17.4
219.10077	4.0
250.81920	2.7
257.11685	3.5
285.11337	5.9
301.07388	3.6
315.12674	3.0
317.13849	4.4
343.15356	11.0
361.16455	30.5
370.29202	2.5
373.16565	6.9
389.13382	3.2
422.03799	2.2
445.16122	2.4
494.79355	2.3
531.13037	2.7
546.57391	3.0
559.22961	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	530.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88416	5.5
65.03951	6.6
69.03417	12.9
69.07068	7.4
69.24133	49.2
69.24487	8.0
71.04977	9.8
78.05550	5.0
79.05480	9.2
81.03431	14.1
85.02908	20.0
91.05499	11.8
93.07044	8.3
95.04947	8.2
95.08638	8.2
97.02887	14.0
97.06534	9.6
103.05457	20.8
105.07028	20.2
107.04955	17.2
109.02873	24.2
121.02869	7.2
121.06505	10.1
125.02341	11.2
127.07591	9.3
131.04892	19.1
135.08047	12.6
137.05969	18.9
138.09174	7.8
141.05479	7.3
145.04951	6.9
145.06517	6.7
149.05975	11.4
151.03949	9.9
153.01724	6.9
153.05440	38.2
155.06990	9.6
157.06483	7.5
161.05974	100.0
161.09618	17.7
163.07520	29.6
164.08263	7.8
165.05414	6.6
165.09145	8.1
166.08577	7.0
167.07008	40.5
169.04971	11.3
175.07501	6.7
178.05003	6.5
179.07002	9.4
181.08624	21.5
181.10104	6.9
189.09113	61.4
191.06992	14.6
192.07803	8.0
203.05336	15.6
207.10159	95.7
208.10536	8.2
209.08107	15.1
223.06009	82.3
247.65828	6.8
264.57214	7.6
269.01620	6.0
269.06607	6.6
305.14160	6.5
315.12289	42.0
317.13757	8.1
361.16562	28.8
385.11307	12.7
469.24109	7.4
471.58710	6.4
531.17999	23.6
531.24927	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	530.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.6
57.03424	2.2
59.24126	1.7
67.05503	3.2
69.03417	7.1
70.58655	3.0
70.58968	2.1
71.04981	2.2
75.04492	2.9
75.31331	1.5
79.05494	13.8
81.03403	7.7
81.07053	6.6
85.02905	5.4
91.05489	12.5
93.07050	59.4
95.01344	1.5
95.04987	2.9
95.08626	2.8
97.02879	5.0
105.04433	1.7
105.07038	11.1
107.08595	7.4
107.98643	1.6
109.02882	3.6
109.06477	2.3
109.10141	2.4
110.03666	3.8
111.04414	2.1
111.08096	3.7
115.05492	1.9
119.08574	13.0
121.06532	2.3
121.10148	63.4
123.08047	2.9
125.05999	14.8
125.09644	1.7
127.03951	5.5
131.08566	4.8
133.10086	2.0
133.22563	1.6
135.11705	1.8
137.06039	2.1
139.03920	4.6
139.11165	3.7
145.10193	2.1
147.08121	2.0
149.09628	33.9
151.03903	1.8
152.04703	1.7
153.05453	26.2
154.06232	10.6
165.05373	1.7
167.06999	2.2
167.10666	7.8
170.05763	6.1
182.05788	16.3
185.08090	50.8
190.94534	1.6
190.96234	1.7
197.08095	44.8
203.05321	5.6
217.19765	1.9
221.08122	6.3
235.09560	1.9
237.07419	1.7
246.36176	1.9
270.17090	3.3
275.09042	2.2
293.13889	4.3
294.60284	1.7
311.14883	5.9
333.16885	2.9
349.27026	4.2
350.27341	8.9
441.19492	2.5
454.03195	1.6
529.33270	12.8
530.21960	9.7
530.33777	100.0
531.23346	5.2
531.34705	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	530.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18511	1.2
53.03945	2.8
55.05499	3.7
57.03432	1.7
67.05502	3.2
69.03415	4.2
69.47308	7.3
69.47708	3.3
75.04487	2.0
78.04734	1.5
79.05483	9.4
81.03407	5.0
81.07046	5.9
83.04954	2.8
85.02898	3.4
91.05483	8.8
91.05970	1.6
93.07040	39.8
94.63869	1.4
95.04964	3.9
95.08602	4.2
96.08135	2.4
97.02886	4.1
105.07011	5.3
107.08601	8.9
109.02867	2.9
109.06522	1.7
109.10175	3.7
111.08077	4.4
119.08582	6.8
121.09270	2.1
121.10139	37.3
123.04416	5.9
123.08038	2.0
124.07588	18.3
125.76500	1.6
127.03908	3.5
127.35239	1.3
131.08592	2.0
134.29665	1.5
135.08051	2.3
137.05945	2.7
137.09595	5.3
139.11154	2.0
142.08640	12.3
149.09608	6.6
151.03853	2.7
153.01822	2.9
163.11148	1.7
165.09129	2.3
167.07030	100.0
167.10663	16.0
168.07448	2.7
171.07971	1.7
189.09169	1.3
219.10185	1.6
278.16547	1.5
309.13272	2.2
311.14877	5.0
362.24469	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67280	1.7
55.01846	1.6
57.03434	3.4
61.02925	5.9
65.21499	1.7
67.05516	3.0
69.03430	14.2
69.07079	2.8
70.82443	2.9
70.82783	1.8
71.05009	2.0
73.02916	3.5
79.95430	1.7
81.03391	6.3
81.07089	2.0
85.02903	100.0
91.03944	4.6
91.05501	1.8
93.07038	7.7
95.08601	4.7
97.02887	20.4
97.06529	5.5
99.04449	4.3
107.08596	9.7
109.02861	10.8
109.10153	7.3
127.03913	26.7
135.11693	27.1
137.05965	17.1
145.04964	55.6
153.12750	27.3
163.06021	35.0
163.08916	1.8
167.07007	14.2
171.13889	2.1
172.39807	1.9
187.04192	1.8
195.78856	1.8
255.59132	1.7
285.25580	2.0
325.11252	16.5
531.16229	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	530.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02338	0.7
52.58524	0.7
55.01862	0.8
55.05502	1.0
62.71733	0.9
64.83231	0.9
67.05496	4.8
69.03439	0.8
79.05497	5.2
81.07054	8.2
83.05001	0.8
85.02872	1.3
90.56753	0.8
91.05479	3.6
93.07034	12.3
95.08604	17.4
105.07021	6.8
107.08579	13.3
109.10145	20.0
117.06952	0.8
119.08553	5.5
121.06522	1.3
121.10136	7.4
125.09608	1.0
127.03902	1.0
131.08556	3.7
133.10114	3.9
135.08075	6.7
135.11679	26.3
137.02328	1.1
137.05984	1.5
137.09593	0.9
139.03821	1.0
139.11169	8.7
143.08557	2.1
145.10104	3.8
147.11667	3.6
149.09634	1.4
149.13228	3.6
150.39211	0.8
157.10130	1.9
159.08104	1.1
159.11702	6.3
160.57666	0.8
161.09601	4.0
163.07562	3.8
163.11000	0.9
167.06990	1.1
169.10127	1.1
171.06512	1.0
171.11714	1.6
173.13229	3.1
175.11124	1.6
181.08556	1.8
185.13264	2.3
186.62982	0.8
187.14772	2.4
189.12720	1.1
195.11711	2.0
197.13289	2.0
199.14807	2.0
209.13159	2.0
211.14787	1.5
213.12769	1.7
213.16322	1.0
227.14284	1.9
227.17915	3.1
229.23689	0.9
231.06332	1.0
237.16235	1.1
241.15929	2.0
241.19495	8.2
243.21054	4.0
249.10918	2.1
251.17886	5.3
254.13834	0.9
259.20520	1.9
261.22098	1.5
269.18997	16.8
287.19983	10.9
297.18457	7.2
298.41235	0.9
303.19495	1.6
305.20978	1.3
315.19525	59.0
316.19754	3.4
333.20587	33.6
334.20853	2.4
340.86163	0.9
351.21616	100.0
352.21985	7.0
379.08005	1.4
530.20197	2.6
531.18372	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	530.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.6
67.05501	2.1
69.07060	4.6
72.28584	1.2
79.05483	3.3
81.07045	6.5
83.08580	1.5
91.05472	2.2
93.07037	2.8
95.08616	7.3
105.07025	6.4
107.04971	1.3
107.08592	2.8
109.10144	3.6
119.08572	3.6
121.10153	3.1
131.08499	3.7
133.10138	3.0
135.11674	3.7
143.08562	2.3
145.10078	4.7
147.11665	5.4
149.13252	2.4
151.03816	1.4
157.10080	4.5
159.11688	6.8
161.13234	3.7
163.11223	2.0
171.11699	2.1
173.13235	3.2
185.13223	4.6
187.14795	3.0
193.12373	1.7
194.17014	1.3
199.14790	2.9
201.16431	6.2
205.12219	3.1
213.16356	2.9
219.13914	2.0
231.13829	3.8
241.19507	56.3
242.19905	2.2
243.21049	17.0
253.04791	1.3
259.20578	13.2
269.18973	5.3
287.20035	100.0
288.20480	7.4
292.13571	1.5
315.19519	64.9
316.19861	5.3
333.20505	17.2
530.35107	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	8.1
55.01873	18.4
55.05260	4.2
55.05511	45.3
55.88309	2.7
57.03442	26.0
57.07082	4.4
65.03925	3.0
67.05502	100.0
69.03432	7.5
69.07065	36.0
71.04992	8.8
71.31668	3.5
73.02924	4.6
79.05492	65.4
80.05817	2.7
81.03415	20.8
81.07055	99.5
83.04984	14.6
83.08617	28.5
83.81025	2.8
85.02912	5.7
85.06550	5.6
91.05476	44.3
92.39645	3.0
93.07043	63.9
95.04963	12.6
95.08604	33.5
97.06541	18.1
97.10166	22.0
98.07323	6.0
99.08070	3.5
105.07017	25.0
107.04932	11.3
107.08593	53.6
109.06538	7.8
109.10149	21.2
111.04469	3.4
111.08087	10.2
116.04712	6.9
117.07003	14.2
119.08581	16.2
121.06503	5.1
121.10114	21.8
123.08035	4.3
123.11708	11.1
125.09659	16.0
129.05475	20.3
129.06990	5.9
131.08580	13.9
133.10135	29.0
135.08057	8.0
135.11681	20.6
137.06015	3.0
137.09607	4.3
143.07059	5.4
143.08612	3.9
145.10132	12.0
147.07996	3.0
147.11684	9.8
149.09618	7.7
149.13219	18.8
151.07568	4.7
151.11160	5.2
153.09079	3.7
157.08604	9.8
157.10023	6.6
159.11708	12.9
161.13295	3.9
163.11186	7.9
171.10191	5.5
171.11755	3.3
173.09625	3.2
173.11714	3.9
177.12740	6.1
187.13158	4.5
189.09190	3.2
189.11174	6.6
193.12283	5.3
195.13829	15.2
199.13324	12.7
203.10712	3.7
209.11769	6.6
211.13333	3.5
227.12798	9.1
231.33072	3.3
269.17453	67.5
283.15454	7.5
301.16434	52.3
353.71921	3.6
411.27310	5.0
423.27414	12.0
477.27301	4.3
477.32944	4.8
478.29501	3.2
495.29428	56.4
496.29675	4.5
508.71524	3.2
530.32904	3.5
531.23517	50.1
531.30988	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.7
55.01869	5.3
55.05510	22.6
57.03437	22.1
58.06342	2.0
58.06604	30.8
59.07384	9.7
60.08168	10.6
67.05167	2.1
67.05504	34.1
68.95551	1.4
69.03417	4.5
69.07057	8.5
69.08214	11.9
71.04990	5.7
73.02919	1.4
75.04478	3.5
78.11312	1.2
79.05052	1.9
79.05495	36.1
81.03416	80.2
81.07053	34.8
81.07512	2.5
83.04980	22.0
83.08619	30.8
85.02899	28.9
85.06544	3.4
87.04467	6.2
91.05478	42.3
93.07045	21.5
95.04967	26.8
95.08604	13.5
97.02897	3.5
97.06521	4.3
97.10168	4.3
99.08087	1.6
99.84761	1.4
102.05590	1.4
105.07025	29.1
107.04935	9.7
107.08602	10.0
109.06503	4.5
109.10149	4.1
111.04417	2.5
111.08067	16.5
113.05999	4.1
115.05396	1.7
117.07050	2.7
119.08578	23.0
121.06490	2.1
121.10146	9.0
123.08064	5.1
123.11694	2.1
125.09631	1.6
127.07544	1.5
129.07002	13.5
131.07039	1.8
131.08562	13.1
133.06470	2.8
133.10138	14.0
138.28108	1.3
141.06992	1.2
142.07768	4.1
144.10197	10.7
145.10120	2.7
147.08078	3.2
147.11678	18.7
149.09679	7.8
157.10118	16.6
162.11243	3.2
163.56032	1.3
165.12796	4.1
175.11174	17.2
193.12231	64.1
194.12592	4.1
211.13284	90.4
212.13631	3.1
218.13785	1.5
236.14914	100.0
237.15065	1.7
240.54889	1.3
249.14825	2.0
267.15906	24.7
268.16309	1.7
285.16949	77.0
286.17307	3.9
367.22537	1.5
412.26913	6.3
430.27994	25.6
431.28079	2.5
459.27582	6.8
476.33508	4.0
477.28546	8.0
494.34787	13.4
495.29480	22.3
496.29984	2.6
512.35846	27.8
513.36261	2.2
530.37317	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	530.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.2
55.01870	8.1
55.05256	3.1
55.05510	38.6
57.03432	13.6
57.07063	4.7
59.05005	4.4
65.03965	3.2
67.05502	100.0
68.05849	4.2
69.03426	2.7
69.07071	22.9
70.43166	5.1
71.04990	7.2
73.02906	3.3
77.49946	1.5
79.05495	50.1
81.03419	14.1
81.07055	88.6
82.07370	2.1
83.04960	9.0
83.08615	24.2
84.08134	2.3
85.02914	11.1
85.06571	3.1
87.04462	5.1
87.44972	1.7
91.05484	33.9
93.07046	47.1
94.07378	1.6
94.51935	1.8
95.04964	11.3
95.08603	34.0
97.02856	2.0
97.06522	12.9
97.10181	17.2
99.04461	1.7
99.08083	3.0
103.03918	2.2
105.07033	18.1
107.04955	4.6
107.08591	34.8
109.06493	4.0
109.10158	40.2
109.62011	1.6
110.10497	2.0
111.04431	2.2
111.08096	7.2
117.07029	9.9
119.06105	1.8
119.08593	11.5
121.06521	3.9
121.10132	16.6
123.08057	3.6
123.11719	5.9
125.09644	17.5
129.05487	6.5
129.07022	3.4
131.08572	14.3
133.10149	22.8
134.10487	1.5
135.08012	3.3
135.11694	15.6
137.06026	2.5
137.09612	3.2
143.08575	3.2
143.10680	2.1
145.10117	6.2
147.11699	5.1
149.09624	2.8
149.13266	14.9
151.11180	2.6
153.12767	3.5
155.10646	2.8
156.52512	1.9
157.10135	3.0
159.11700	8.8
161.13211	2.4
163.11244	9.3
171.11659	1.7
173.09512	4.4
173.11784	16.0
173.13109	2.3
175.11128	1.8
175.14626	1.9
177.12671	2.7
181.12216	3.7
188.11874	2.5
191.10675	2.9
193.08620	2.3
193.12288	5.5
195.13814	20.7
199.13293	6.6
203.10606	3.6
204.10974	2.6
209.11687	5.3
210.11244	2.6
211.13225	1.8
213.14760	2.1
227.12798	3.6
229.14349	36.1
253.18152	1.5
261.21811	1.7
267.15988	2.1
269.17484	44.2
270.17889	2.4
276.90833	1.7
285.07608	3.9
286.07825	3.1
294.17044	6.2
301.16446	8.4
329.17444	2.5
393.26904	1.6
411.27405	4.0
414.31287	1.8
423.27362	12.8
495.29407	11.3
513.30603	9.2
530.25739	9.9
530.38940	3.8
531.36304	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	530.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.5
55.01860	1.1
55.05505	1.7
57.03439	5.2
58.06601	26.3
59.07113	0.6
59.07385	8.4
59.70868	0.4
60.08167	7.2
67.05508	4.7
69.03454	0.4
69.07069	1.5
69.14158	3.5
69.47653	0.4
71.04983	0.5
71.08590	0.5
73.02909	0.7
75.04474	3.3
75.66043	0.4
79.05497	3.3
81.03384	0.5
81.07049	3.3
82.07373	0.4
83.04987	0.8
83.08620	0.8
84.08108	0.5
85.02907	2.3
87.04465	3.7
91.05479	2.9
93.07043	3.1
95.04968	1.1
95.08605	2.5
97.06518	0.7
97.10249	0.5
102.05540	0.9
103.03938	1.0
105.05485	0.8
105.07020	2.0
107.04960	0.4
107.08585	1.8
109.10159	1.0
111.24886	0.4
113.06010	0.5
114.19658	0.4
117.07022	0.9
117.07808	0.6
119.08566	0.9
121.10152	1.0
123.08108	0.6
131.07047	1.4
131.08534	0.9
133.10164	1.0
135.08072	0.4
135.11667	0.8
137.06004	0.4
143.08594	0.5
144.10194	8.7
145.10159	1.4
147.11696	0.8
155.08708	0.4
157.10107	0.6
159.06419	0.4
162.11238	5.1
218.13913	1.6
236.14920	100.0
237.15163	2.8
241.16399	0.5
280.39319	0.4
290.15945	1.2
318.22858	1.2
332.66794	0.4
373.21463	0.4
412.26978	5.9
414.28281	0.6
424.26874	2.7
442.27972	6.6
443.28052	0.5
476.33899	0.8
477.28394	0.5
478.35226	3.8
494.34775	7.2
496.36295	17.7
497.36511	1.3
512.35797	8.3
513.36584	0.6
530.31464	0.7
531.36481	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01833	1.0
55.05510	2.1
56.05009	0.3
57.03434	7.0
57.07032	0.5
58.06597	30.5
58.07006	0.9
59.07379	9.6
59.07652	0.4
60.08163	9.9
62.80096	0.3
67.05505	3.4
69.03387	0.8
69.07058	1.3
69.16058	0.8
69.16473	1.9
71.04968	0.6
71.08579	0.8
73.02874	1.1
75.04479	4.0
75.54392	0.2
79.05494	2.8
81.03379	0.6
81.07053	2.9
81.96394	0.3
83.04923	0.8
83.08562	1.0
84.08092	0.8
85.02903	3.0
85.06509	0.5
85.10149	0.5
85.35202	0.3
85.35746	0.3
87.04460	5.4
91.05474	2.1
93.05451	0.4
93.07041	2.9
95.04916	1.3
95.08617	1.7
96.53923	0.3
97.02850	0.7
97.06481	0.7
99.04429	0.4
99.08019	0.4
100.11217	0.3
102.05482	0.7
103.03896	0.7
105.05527	1.5
105.07032	2.3
107.04944	0.3
107.08568	1.8
109.06435	0.5
109.10114	1.2
111.08024	0.3
113.05947	0.6
117.06963	0.8
119.08541	1.2
120.28024	0.3
121.06461	0.4
121.10098	0.8
123.08038	0.4
129.05435	0.6
129.06947	0.4
131.07043	2.4
131.08516	1.2
133.10071	1.0
134.82962	0.3
135.11655	0.5
137.05934	0.3
143.08528	0.7
144.10182	6.6
145.10146	1.9
147.11688	0.5
149.09671	0.4
151.07480	0.4
157.10056	0.6
159.06544	0.4
159.11635	0.7
161.13246	0.4
162.11250	3.6
163.11150	0.4
165.12679	0.3
200.12810	0.3
201.16342	4.9
202.16606	0.3
218.13870	0.8
236.14908	100.0
237.15230	3.2
241.74348	0.3
330.41367	0.3
412.21774	0.5
412.26917	4.8
416.26453	1.2
430.27969	14.5
431.28525	0.8
446.27988	0.4
476.33615	2.2
477.28131	0.3
494.34747	11.6
495.35077	1.1
512.35803	26.5
513.36255	2.7
530.36926	23.3
531.20551	0.5
531.29865	0.6
531.37329	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03897	0.5
55.01818	1.0
55.05449	3.0
57.03373	7.3
57.03688	0.7
58.06535	30.0
58.07006	0.9
59.04942	0.4
59.07318	10.4
59.07647	1.1
60.08099	9.3
60.08429	0.8
67.05439	4.4
68.05776	0.3
69.03371	0.6
69.07062	1.9
70.25196	0.5
70.25581	0.6
71.04923	0.9
71.05275	0.3
71.08601	0.6
73.02912	1.3
75.04477	4.1
79.05492	4.0
81.03413	4.1
81.07057	5.7
81.07498	0.4
83.04985	1.8
83.08605	1.7
84.08070	1.2
85.02898	4.4
85.06478	0.4
87.04464	5.7
91.05478	5.4
92.05716	0.3
93.05480	0.6
93.07034	3.9
95.04970	2.7
95.08596	3.1
97.06460	0.7
97.10132	0.6
99.04404	0.3
99.08038	0.7
102.05497	0.4
103.03873	1.0
105.05436	1.1
105.07022	3.8
107.04891	0.8
107.08600	2.3
109.06441	0.8
109.10100	0.7
111.04387	0.4
111.08007	0.9
113.05917	0.9
115.05430	0.4
117.06954	1.1
119.08574	2.3
120.08878	0.4
120.91557	0.3
121.06482	0.7
121.10171	1.3
123.08010	0.7
125.09554	0.7
129.06931	0.9
131.07040	2.1
131.08554	1.6
133.10124	1.5
135.07959	0.9
135.11670	0.5
137.05923	0.5
137.09532	0.4
143.08498	0.6
144.10199	7.2
144.99179	0.3
145.10072	1.0
145.36790	0.3
146.10518	0.3
147.07951	0.3
147.11606	1.2
149.09537	0.7
149.13147	0.5
151.11154	0.5
155.08499	0.4
157.10094	1.1
159.06433	0.3
159.08022	0.4
159.11649	0.4
161.13231	0.4
162.11250	4.0
165.12746	0.3
173.13200	0.3
175.11137	1.1
189.09036	0.4
191.10564	0.3
193.12242	3.7
200.12820	0.5
211.13283	4.2
218.13852	1.0
235.47382	0.3
236.14911	100.0
237.15227	2.0
244.61894	0.3
267.15976	1.0
285.16949	4.0
289.17810	0.3
390.24857	0.4
412.26926	5.7
416.26746	0.9
430.27972	22.8
431.28378	1.3
459.27148	0.4
476.33817	2.1
477.28238	0.7
494.34738	14.0
495.29477	1.2
495.35547	0.9
512.35828	31.3
513.29156	0.5
513.36176	2.4
530.37073	13.3
531.20221	1.0
531.30225	0.7
531.37866	1.4
546.06329	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.1
55.01871	4.5
55.05513	23.0
57.03439	11.7
57.07064	4.4
58.88723	1.2
59.04996	1.8
65.03928	2.5
67.05506	81.2
68.05831	1.4
69.03421	2.1
69.07073	19.4
69.35041	9.8
71.04994	21.0
73.02913	2.7
79.05497	36.2
80.05811	1.9
81.03417	4.9
81.07059	100.0
82.07394	1.6
83.04980	6.1
83.08626	16.9
84.58704	1.1
85.02910	2.0
85.06544	8.4
87.04459	2.4
89.06043	2.0
91.04944	2.2
91.05482	30.4
93.07047	48.6
95.04962	4.6
95.08606	23.0
97.06534	10.1
97.10148	6.1
99.08100	3.5
100.20780	1.3
105.07028	20.0
107.04986	2.0
107.08596	28.4
109.06520	2.0
109.10156	15.3
111.08075	8.0
113.06037	1.8
113.09667	1.8
117.07028	8.0
119.08551	7.6
121.06515	2.7
121.10148	14.6
123.08099	2.7
123.11715	8.8
124.02473	1.4
125.09630	5.0
129.05489	2.4
131.08563	9.3
133.08591	1.4
133.10133	16.2
135.08073	3.4
135.11711	10.8
137.09579	3.2
139.07510	1.9
139.11218	2.0
145.10127	4.3
147.11687	3.9
149.09676	1.4
149.13260	21.5
151.07542	1.3
151.11201	6.4
159.11687	9.9
161.13152	1.7
162.02884	1.5
163.11174	1.8
173.11752	3.9
177.12816	6.1
183.13744	2.4
187.13324	3.0
195.13837	10.7
209.11737	2.2
225.14738	1.6
229.14334	9.6
237.14803	2.0
257.17505	1.4
269.17490	36.1
301.16776	2.0
301.20065	11.3
423.27374	2.8
437.28998	52.6
438.29266	3.8
451.30576	8.5
461.21396	1.8
463.30518	35.7
464.30890	3.0
495.33411	19.3
496.33627	1.5
530.22272	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	530.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02625	4.0
55.05498	12.2
57.07066	8.0
62.02997	4.3
65.03933	5.9
67.05492	24.1
69.07062	30.1
69.16592	33.8
69.30463	4.5
71.05002	4.3
71.08630	6.4
73.85734	4.8
75.46401	3.8
79.05490	17.1
81.03419	3.8
81.07050	44.5
83.08611	12.6
88.25829	4.6
91.05479	18.2
93.07036	28.4
95.08595	40.8
97.10152	8.6
105.07036	31.8
107.08576	38.7
109.10131	21.5
117.07024	6.4
117.46971	3.8
118.97124	3.7
119.08576	36.0
121.10112	32.8
123.11740	9.4
129.06985	6.3
131.08530	20.6
133.10139	34.6
135.08086	9.4
135.11682	18.3
145.10117	36.3
147.08102	5.1
147.11674	19.3
149.13206	13.3
157.10101	11.8
159.11714	28.7
161.13251	10.2
163.14769	5.3
171.11681	7.7
173.13254	13.4
175.14786	27.2
177.16396	12.8
187.14816	60.3
187.24393	4.6
188.15178	5.8
189.16385	37.2
191.17874	6.7
198.00566	4.1
199.14801	13.5
201.16348	33.7
203.17940	6.9
211.14772	4.8
212.40199	4.2
213.16498	11.3
215.17969	6.7
217.15829	11.8
219.17479	5.7
225.16422	6.7
233.18959	26.7
239.24550	4.1
241.19569	7.1
253.19522	8.9
277.18039	16.4
281.22589	7.4
389.31943	21.5
407.33057	50.5
435.32590	100.0
436.33121	7.7
453.33490	18.3
495.34595	14.9
530.22302	79.0
530.35529	22.2
531.22577	8.9
531.36041	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	531.1472
Annotation	CHEBI:66708
Peak:m/z	Relative Intensity
54.68496	0.2
56.01031	0.2
69.08828	2.5
80.55016	0.3
85.02866	0.4
93.07039	0.4
98.23291	0.6
105.07021	0.5
119.08595	0.4
121.06547	0.3
133.92361	0.2
137.05948	0.6
145.56601	0.2
147.96663	0.3
167.07063	0.4
169.02986	0.3
169.04668	0.3
186.06494	0.3
188.04530	0.3
192.00288	0.6
192.54306	0.3
193.08560	1.0
199.07317	0.3
201.05217	3.9
202.05847	0.2
203.10664	0.3
216.07568	17.3
217.08324	5.5
337.05246	4.6
350.09464	0.4
369.13211	0.5
500.12561	1.5
501.13269	1.1
531.14624	100.0
532.14954	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	531.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68496	0.2
56.01031	0.2
69.08828	2.5
80.55016	0.3
85.02866	0.4
93.07039	0.4
98.23291	0.6
105.07021	0.5
119.08595	0.4
121.06547	0.3
133.92361	0.2
137.05948	0.6
145.56601	0.2
147.96663	0.3
167.07063	0.4
169.02986	0.3
169.04668	0.3
186.06494	0.3
188.04530	0.3
192.00288	0.6
192.54306	0.3
193.08560	1.0
199.07317	0.3
201.05217	3.9
202.05847	0.2
203.10664	0.3
216.07568	17.3
217.08324	5.5
337.05246	4.6
350.09464	0.4
369.13211	0.5
500.12561	1.5
501.13269	1.1
531.14624	100.0
532.14954	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	531.1837
Annotation	Isoswertisin 2''-O-(2'''-methylbutyrate)
Peak:m/z	Relative Intensity
52.09720	0.3
55.20415	0.3
65.03948	0.3
67.05497	0.4
69.84646	1.0
69.85054	0.7
75.52579	0.3
79.05451	0.5
85.02885	0.3
85.06625	0.3
91.05489	0.6
95.04969	0.4
99.04432	0.3
105.07022	0.8
107.04974	0.4
111.04457	0.4
121.02890	0.6
123.04414	3.2
127.03916	0.7
127.07622	0.3
131.08655	0.4
135.04399	0.5
137.02327	0.4
137.05998	0.9
139.99391	0.3
147.04382	0.7
147.08104	0.3
148.98212	0.3
153.01811	0.3
161.05978	0.3
163.03949	0.4
167.07036	2.0
175.07581	0.4
177.05586	0.4
181.08546	0.4
195.10214	0.3
196.76062	0.3
201.05482	0.8
221.06017	0.4
249.05441	0.4
249.11009	0.6
267.06439	0.4
270.19528	0.4
284.85214	0.4
288.20453	0.4
293.08218	0.4
295.05960	1.5
307.06085	0.5
316.19995	0.4
321.05725	1.8
323.07346	2.2
363.09039	0.6
387.08783	0.3
393.21677	0.3
506.34238	0.4
531.18365	100.0
532.18726	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	531.1836
Annotation	Icariside I
Peak:m/z	Relative Intensity
69.07055	0.3
71.34348	0.5
74.24881	0.3
78.89500	0.3
80.30313	0.3
81.03473	0.3
93.24471	0.3
94.14108	0.3
95.01107	0.4
97.02669	0.3
106.18449	0.3
115.48843	0.4
123.04420	0.6
125.02145	0.3
131.01047	0.6
135.08044	0.5
160.85054	0.3
167.07051	0.5
169.04837	0.5
171.04164	14.4
172.04880	2.0
173.05789	0.7
185.04221	3.3
189.05302	0.8
209.54480	0.4
220.07097	0.4
301.70599	0.4
334.10120	1.6
335.10831	0.5
338.88528	0.4
369.13086	13.0
370.13400	0.8
379.07941	0.4
531.18365	100.0
532.18713	8.5
558.34283	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91352	0.2
52.63607	0.2
55.05510	0.9
67.05506	1.1
69.07071	0.6
69.26865	1.7
76.25062	0.2
77.47278	0.2
77.50455	0.2
79.05487	0.8
81.07047	0.8
83.08620	0.6
85.06584	0.3
91.05495	0.7
93.07026	1.0
95.08611	0.8
97.10181	0.7
98.22633	0.4
105.07051	0.7
107.08601	1.0
109.10182	0.6
119.08572	0.4
121.10141	0.7
125.09658	0.7
131.08513	0.3
133.10159	0.4
135.11690	0.4
145.10150	0.5
147.36502	0.2
159.11659	0.2
163.11127	0.3
173.30835	0.3
175.03676	0.2
189.11211	0.6
227.12735	0.3
228.13176	0.2
335.12534	4.2
350.14880	5.4
351.15552	1.0
405.29962	0.7
460.31735	0.3
516.21008	0.4
521.01788	0.2
531.23505	100.0
532.23853	8.4
558.29828	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	17.2
55.05506	3.4
57.03450	0.8
57.07058	1.3
59.05008	2.9
59.98154	0.7
65.03938	1.2
67.05506	15.8
67.05865	0.9
69.03434	7.4
69.07058	4.1
70.58736	1.7
71.04996	5.3
79.05480	5.6
81.07056	7.0
83.04992	2.1
83.08607	1.4
85.06539	2.0
87.04459	2.5
91.05484	4.3
93.07041	6.6
95.04966	9.7
95.08620	4.9
97.02872	0.8
97.06522	7.5
97.10170	1.5
99.08103	0.7
105.07025	4.9
107.04962	1.2
107.08597	6.3
109.06519	3.3
109.10155	4.6
111.08098	2.5
113.05979	4.5
113.19636	0.8
115.03940	0.8
117.07022	1.3
119.04906	1.3
119.08582	4.7
121.06525	2.6
121.10133	11.0
123.04431	100.0
123.08077	1.9
123.11711	2.2
124.04796	1.8
125.05987	5.5
125.09648	1.3
127.07549	15.6
131.08594	2.6
133.10112	5.2
135.08060	3.4
135.11694	2.9
137.06007	1.2
137.09619	9.3
139.07538	22.1
139.08569	1.4
139.10158	1.4
139.11177	14.8
140.07936	1.0
141.05487	1.0
143.08524	1.8
145.10152	1.8
147.11671	1.6
149.09596	6.5
149.13245	3.9
150.10408	5.4
151.03851	1.2
151.07535	1.4
151.11185	2.9
153.09196	1.8
153.24333	0.7
157.10138	1.4
159.11732	2.6
161.06091	0.8
161.09613	3.9
161.13245	0.8
163.07559	2.3
163.11124	0.8
165.09145	1.4
165.90837	0.7
167.10710	8.6
169.04959	14.4
173.13277	1.7
175.07637	1.2
175.11162	1.0
175.14818	1.1
177.09113	4.7
177.12648	1.8
179.10718	3.4
181.12230	14.2
187.11183	1.8
188.08374	1.1
189.09055	1.4
189.12785	1.2
191.10674	1.0
191.14320	3.1
193.12282	1.6
195.10092	1.1
203.10648	6.0
205.12241	8.1
207.13838	1.2
209.15376	7.5
215.10757	1.6
217.12201	1.2
219.10388	0.9
219.13835	6.8
221.15305	1.7
223.13242	4.4
231.10124	1.6
233.11684	4.9
235.13303	7.7
237.14848	51.5
238.15211	1.8
247.16937	2.5
249.11302	2.5
249.14893	7.9
251.12804	5.0
251.16447	1.9
255.71204	0.9
265.14355	6.9
275.12958	1.6
275.16425	2.7
277.11014	1.8
277.14413	2.5
293.17401	7.0
295.11765	9.1
305.17554	1.1
345.20657	3.3
355.22659	2.8
357.20810	1.9
363.21649	91.8
364.21976	6.3
381.20486	1.0
451.24686	1.1
470.28073	0.8
487.27057	2.1
495.23782	2.1
513.24847	1.2
531.25696	1.3
531.35571	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.2
55.01873	2.3
55.05510	20.4
57.03415	2.2
57.07075	12.6
65.03935	1.5
67.01891	1.8
67.05502	41.0
68.99806	1.4
69.03434	2.3
69.07064	22.6
71.04998	6.3
71.08631	3.5
71.31628	1.9
73.02930	2.4
75.38725	1.5
79.05486	20.4
80.68210	1.5
81.03413	48.3
81.07055	35.3
81.07505	2.9
82.07415	1.7
83.01340	1.9
83.04999	5.3
83.08609	19.5
84.26346	1.5
85.06542	4.7
85.10196	1.9
87.04478	6.0
87.06203	1.4
91.05473	17.1
93.07046	18.3
95.04971	14.3
95.08601	26.2
97.06557	4.8
97.10165	8.7
105.00125	6.7
105.07029	13.1
107.04948	3.8
107.08580	12.6
109.06517	3.3
109.10120	10.0
111.08104	6.7
111.11716	2.5
113.06062	1.4
117.07034	2.5
119.08569	12.8
121.10143	15.7
123.04425	1.6
123.08088	4.7
123.11775	3.3
127.03936	4.4
129.07007	7.0
129.31236	1.5
131.08563	8.4
133.06505	1.9
133.10083	7.2
135.08067	2.4
135.11694	7.7
137.09615	7.7
142.07820	2.0
143.08704	1.7
145.10144	2.3
147.08093	2.0
147.11679	4.2
149.09622	4.2
149.13283	5.2
151.11211	2.2
153.05443	2.3
155.03391	18.6
157.10144	2.7
159.11719	3.5
161.13269	3.4
165.09161	4.5
169.04979	1.9
171.11748	2.7
175.07533	2.7
175.11220	6.7
187.11295	3.2
189.12762	7.9
193.05064	1.6
193.08655	2.6
193.12227	24.6
203.07101	2.2
205.12210	9.4
207.06525	3.1
207.13779	32.2
208.07280	3.5
211.09724	4.8
221.08154	4.1
225.11174	3.3
231.06587	4.5
235.13228	7.8
247.24356	2.6
249.07648	3.8
249.14938	3.0
253.14305	1.9
255.10167	1.8
259.13480	2.3
263.04752	4.3
265.25381	4.7
277.14392	3.2
281.13849	4.6
283.09543	2.4
291.12317	3.7
295.15402	13.0
295.21320	1.4
301.10770	5.7
313.11020	2.0
319.11160	2.4
371.14923	6.0
371.22064	1.6
375.17365	4.5
380.57159	1.8
385.01550	1.4
389.15921	100.0
390.11862	2.1
390.16180	10.3
434.01624	1.9
443.24319	3.1
457.36777	2.2
459.19940	11.2
513.28442	13.5
531.40485	55.3
532.40845	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	531.2926
Annotation	Leu Asn Arg Glu
Peak:m/z	Relative Intensity
60.78963	0.3
67.05494	0.6
69.42191	1.5
76.19168	0.3
76.66010	0.4
79.05503	0.5
81.07054	0.6
90.55589	0.3
93.07035	0.3
95.08542	0.6
104.61216	0.3
105.07011	0.5
107.08571	0.5
121.10146	0.6
156.52205	0.3
161.84918	0.3
193.38869	0.4
290.75140	0.3
531.29187	100.0
532.29572	9.1
532.37476	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3678
Annotation	Rubianol b
Peak:m/z	Relative Intensity
51.81524	3.4
53.03961	4.7
54.49846	4.0
55.05491	19.7
56.47503	4.0
57.07053	4.2
58.25920	4.1
64.80755	3.8
67.05502	32.5
67.89437	3.6
69.07056	19.0
69.54202	24.8
79.05495	19.6
81.07054	53.5
83.04975	11.5
83.08602	12.4
86.11344	4.4
91.05471	31.5
93.07044	58.3
95.04979	9.4
95.08606	67.9
97.10175	7.1
105.07024	64.6
106.68086	3.9
107.08592	98.8
109.06514	4.4
109.10156	38.3
111.08087	8.5
117.06969	6.5
119.08573	92.4
121.10142	61.0
123.08048	6.4
123.11717	19.0
125.09628	30.6
128.06258	3.9
129.06993	10.7
131.08572	32.3
133.10124	69.2
135.11700	27.5
143.08559	15.9
145.10115	61.1
146.10571	4.1
147.11668	30.1
149.13249	12.7
151.11203	10.2
153.09015	5.7
156.09344	5.8
157.10146	14.1
159.11667	62.0
161.13246	33.2
163.14833	14.5
171.11716	11.0
173.13274	30.4
175.14822	28.4
177.16403	15.9
179.10568	5.7
183.11726	6.9
185.13240	8.0
187.14804	46.2
189.16385	77.3
191.14304	18.8
191.17960	14.8
193.15878	6.2
199.14819	20.0
201.16370	100.0
203.17885	18.9
205.15953	6.3
207.13907	4.0
207.17458	5.6
213.16405	44.4
215.17926	39.4
217.15854	12.4
217.19463	9.8
219.17426	57.4
227.17902	7.1
229.19592	5.5
233.19041	9.7
235.16989	31.8
241.19392	12.5
243.21167	6.7
245.22630	6.0
247.16949	21.9
253.10567	4.1
255.21130	8.0
261.18472	10.6
267.21124	14.3
335.12650	5.6
341.24988	4.4
348.47696	4.4
389.32114	15.5
407.33093	74.4
408.33441	8.4
409.34616	13.5
423.32675	5.5
435.32697	20.5
436.05151	4.3
453.33588	48.8
454.33704	6.9
506.37228	6.0
531.23413	84.2
531.29901	3.0
531.36359	23.7
532.23560	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	531.3682
Annotation	Rubianol b
Peak:m/z	Relative Intensity
54.16083	4.6
55.01870	9.4
55.05515	25.3
57.07066	6.1
67.05501	32.3
69.07047	22.7
69.13271	38.1
71.04977	4.8
74.31968	4.1
79.05484	27.7
80.49322	3.9
81.07057	54.5
81.74371	3.9
83.04986	11.4
83.08612	20.3
85.06548	4.8
91.05462	32.0
93.07054	53.7
95.04974	9.0
95.08600	60.8
95.24448	5.2
97.06504	5.0
97.10162	13.9
99.08084	6.5
105.07019	38.2
107.08589	78.2
108.08990	5.1
109.06532	5.5
109.10146	45.9
111.08097	15.8
117.06990	8.3
119.08558	55.1
121.10145	42.2
123.08076	9.9
123.11702	15.1
125.09600	30.2
129.07028	6.6
131.08591	23.8
133.10124	43.5
133.79901	4.4
135.08076	7.0
135.11678	27.0
143.08569	16.9
145.10110	37.7
145.36780	4.8
147.11674	23.6
149.13272	19.5
151.11197	5.3
157.10129	11.2
159.11681	32.1
161.09647	9.6
161.13289	20.0
163.14819	13.6
166.22050	4.6
169.10233	6.1
171.11769	8.4
173.13264	21.7
175.14828	23.5
177.12762	5.5
177.16379	17.2
183.11679	9.4
185.13228	6.6
187.14806	32.3
189.11237	6.9
189.16389	25.6
191.14345	9.1
191.18018	4.8
196.07378	5.5
199.14818	17.1
201.16351	25.5
203.12860	6.6
203.17981	17.5
213.16420	34.6
215.17953	18.5
217.15875	4.9
217.19580	13.6
219.17444	11.4
221.97545	4.8
241.19620	7.0
245.22607	6.4
259.16986	5.8
267.21085	15.5
389.32144	8.8
407.33008	21.9
409.34570	20.0
423.32642	7.4
435.32904	6.5
447.27597	6.3
453.33905	23.8
513.35950	9.1
531.23383	21.1
531.36823	100.0
532.36890	7.5
551.67212	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	531.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84240	2.7
53.03942	8.1
55.01868	12.1
55.05510	75.6
55.58270	2.3
55.68314	2.9
57.03437	7.4
57.07072	8.8
59.05001	5.9
65.03941	3.4
67.05505	94.7
68.05830	4.1
69.03430	6.7
69.07065	38.1
71.04990	12.5
71.31695	4.5
73.06575	2.9
79.05489	62.8
80.05820	3.6
81.07051	100.0
82.07394	3.7
83.04990	11.5
83.08606	40.9
85.02900	3.4
85.06537	6.0
87.04509	4.8
91.05485	36.1
93.07039	53.1
94.07388	4.0
95.04983	7.9
95.08604	63.3
96.08923	4.5
97.06535	11.5
97.10176	65.9
97.10764	2.3
99.08082	3.7
105.00059	3.2
105.07014	25.4
107.08588	52.9
107.09267	4.7
108.08942	3.4
109.06487	5.7
109.10153	44.8
110.10465	3.4
111.08100	11.1
117.07014	11.4
119.08568	25.5
121.06524	9.1
121.10150	30.7
123.08070	7.5
123.11691	14.7
125.09624	65.7
127.03160	3.0
129.07054	3.5
131.08559	16.3
133.10107	24.9
135.08086	17.4
135.11671	26.2
137.05960	6.9
137.09587	5.2
139.07686	4.3
139.11198	7.8
143.08586	5.0
143.10675	4.8
145.10098	18.5
147.08046	4.3
147.11682	18.6
149.09625	7.8
149.13292	8.7
151.11150	8.0
153.05402	2.8
153.09088	34.2
153.12790	3.0
157.06444	2.9
157.10095	4.3
159.11714	11.6
161.13252	10.9
163.07535	3.6
163.11159	4.8
163.14903	3.8
165.05466	3.2
165.12718	5.2
171.10172	6.2
171.11595	2.9
171.13890	5.4
173.09607	6.2
173.11789	6.7
173.13260	7.4
175.14839	4.9
177.12776	4.0
179.10692	3.3
179.14314	3.3
183.11787	3.4
187.14891	6.5
189.09587	4.7
189.11227	27.8
191.06946	3.3
201.09142	3.7
201.16388	3.8
207.13705	2.9
217.14325	43.2
219.10223	5.4
229.14296	4.2
235.13400	3.8
237.14978	4.8
243.21051	5.8
261.14783	3.3
261.22183	17.0
262.22696	2.7
270.17828	3.6
279.23230	42.0
280.23541	7.7
293.21387	3.5
297.24225	27.7
395.29471	4.9
413.30368	13.6
416.69962	3.7
431.31500	60.1
437.64633	3.0
449.32706	17.9
459.34689	5.4
477.35818	9.7
486.01950	3.3
493.34766	5.0
495.36548	8.7
531.31812	9.0
531.38629	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88592	2.1
67.05502	6.9
79.05467	3.0
81.07050	12.3
91.05499	4.7
93.07048	7.1
95.08580	11.0
98.22596	5.6
105.07008	20.7
107.08602	6.5
109.10133	16.6
119.08579	6.5
121.10155	6.7
122.18513	1.8
131.08575	4.3
133.10066	2.7
135.11661	2.7
135.40395	2.0
137.09616	27.8
143.08566	2.6
145.10118	4.5
147.04315	2.1
147.11658	3.1
149.09738	2.2
155.08583	4.9
157.10129	4.3
159.11694	6.6
161.13281	2.6
165.09116	7.2
169.10100	20.2
171.11725	5.1
183.11673	2.4
187.14835	3.6
197.13324	12.0
211.14882	3.1
215.17879	2.4
225.16365	14.6
243.13809	12.0
243.17432	4.7
243.21100	10.6
253.19527	26.4
271.17511	4.0
271.20526	44.9
272.20807	3.1
289.21988	2.1
299.20029	100.0
300.20398	5.8
317.21072	37.6
318.21353	2.7
335.22095	2.1
532.22925	10.7
533.22607	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.5
53.06540	4.1
55.05517	17.6
55.45589	2.9
57.03433	7.9
57.07072	8.6
58.06601	3.3
59.78941	3.4
60.61380	3.3
61.02916	6.4
61.10211	3.0
65.03920	3.4
67.05503	80.9
69.03437	3.9
69.07063	19.4
69.29597	12.0
69.30025	14.7
71.04971	4.9
73.06561	4.0
79.05485	54.8
81.07051	100.0
83.07359	6.9
83.08622	11.7
85.06546	5.9
86.95317	3.4
91.05477	29.3
93.07045	67.4
95.04976	5.8
95.08605	72.9
97.06538	4.9
97.10157	7.1
97.99829	3.5
98.09692	72.4
99.08109	6.1
105.07016	18.7
107.08591	52.2
109.10172	37.6
117.07008	10.7
119.08569	26.8
121.10148	45.8
123.11716	22.1
131.08582	23.8
133.10115	19.7
135.11681	29.7
137.13222	12.1
145.10115	19.8
147.11679	12.9
149.13229	27.7
151.11191	5.9
159.11713	15.5
161.13281	8.9
163.11259	3.5
163.14796	15.5
165.12781	5.1
173.13258	16.6
175.14804	5.5
177.16353	8.0
187.14835	13.1
196.07341	85.1
201.16345	5.8
243.21034	31.4
261.22156	94.5
262.22485	8.9
263.87299	3.6
335.25772	27.9
353.26938	30.5
368.31464	3.6
452.12192	4.6
532.34381	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	532.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.6
54.17605	3.5
55.01869	4.7
55.05512	17.8
57.03452	4.1
57.07063	5.6
61.02924	7.1
63.74092	3.4
65.03953	5.0
67.05499	93.8
67.60202	3.4
69.03419	6.2
69.07075	20.4
69.17924	24.6
69.18343	8.5
71.04980	6.5
79.05487	65.7
81.03413	8.3
81.07049	100.0
81.79343	3.8
83.08612	11.9
83.14294	3.7
85.02918	7.7
85.06532	5.9
91.05460	32.8
92.05770	3.8
93.07037	92.0
94.07366	4.0
95.04962	10.3
95.08600	69.5
97.02906	4.3
97.06522	5.2
98.09686	11.4
99.08058	4.6
105.07030	29.0
107.08589	58.1
109.06519	6.0
109.10161	39.1
111.08092	6.6
111.73991	3.8
116.10744	5.2
117.07001	16.5
119.08584	28.1
121.06461	3.6
121.10133	51.2
121.32919	3.7
123.11696	18.8
129.07014	5.2
131.08583	28.5
133.06670	4.0
133.10107	30.9
135.11668	37.9
137.09602	3.9
141.12660	3.9
145.06503	4.2
145.10150	25.2
147.11664	15.1
149.13245	25.0
149.30165	4.1
149.82993	4.1
150.44865	3.6
153.12816	4.2
157.10109	4.6
159.11646	26.6
161.13278	11.8
163.11287	5.1
163.14844	11.3
165.12782	6.7
173.13266	21.9
175.14868	4.6
177.16362	7.5
187.14862	10.7
201.16400	8.7
215.69774	4.4
233.22612	5.6
243.21017	26.9
261.22110	75.7
262.22479	5.0
279.23160	6.7
335.25769	11.3
353.26917	12.1
369.24124	7.7
387.25345	6.2
394.74591	4.5
405.26105	6.5
494.31808	5.5
532.36853	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	532.348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.6
55.01857	7.2
55.05512	44.0
57.03434	6.0
67.05503	40.0
69.03425	8.2
69.07076	16.5
69.62337	3.0
69.62656	15.3
69.79778	2.2
71.04978	6.3
79.05483	37.4
79.73749	2.8
81.03398	8.2
81.06627	3.9
81.07061	43.7
82.07374	4.6
83.04968	7.6
83.08615	26.8
85.06547	5.0
86.06896	2.7
91.05485	18.6
93.07041	32.6
95.04964	7.6
95.08595	26.9
97.06530	5.8
97.10168	47.2
99.08085	3.1
105.07012	18.6
107.04937	3.8
107.08592	34.1
109.06498	6.6
109.10159	23.9
111.04456	4.4
111.08096	8.0
114.10270	3.5
117.07036	7.2
119.04899	3.0
119.08564	14.4
121.06506	7.7
121.10125	16.5
123.04393	4.5
123.08090	7.7
125.06059	2.8
125.09629	36.0
129.06999	3.6
131.08553	10.8
133.06541	3.9
133.10117	14.0
135.08043	9.7
135.11684	13.8
137.06013	3.2
137.09605	11.4
139.11118	3.5
143.08551	7.3
143.10681	3.3
145.10132	11.8
147.11678	8.3
149.05956	3.5
149.09618	4.3
151.07597	4.3
151.11223	3.5
153.09106	45.7
157.10115	7.8
159.11682	12.2
161.09576	3.5
161.13261	5.0
163.11206	4.8
165.09148	3.3
167.08597	3.0
171.10229	5.0
171.11633	6.0
173.09697	3.7
173.13211	5.1
175.11165	5.8
175.14812	4.0
177.12753	3.1
181.12270	3.2
185.09587	5.2
185.13148	3.8
187.11089	3.1
187.14847	4.0
189.11261	44.9
189.12820	7.9
193.12317	4.3
225.16541	3.1
237.14813	3.6
243.13876	3.8
255.15681	4.3
263.20129	6.5
267.15848	4.7
273.18484	16.0
277.37228	2.6
291.19534	29.3
309.20621	54.4
311.63873	3.1
343.21045	3.2
397.06693	3.0
415.28424	7.9
425.26910	3.8
433.29413	6.8
443.27847	12.7
447.27066	5.9
451.28195	3.1
461.28986	100.0
462.29129	11.2
469.29465	6.3
479.30020	56.5
479.64633	3.3
480.30643	3.4
497.29144	3.2
532.37079	5.4
533.31152	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	532.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.4
55.01865	9.4
55.05508	53.3
64.29613	4.6
67.05505	50.8
69.03423	8.8
69.07069	31.5
70.11269	13.7
79.05498	36.9
81.07056	47.0
81.41029	5.3
83.04992	8.1
83.08617	31.7
91.05475	17.4
93.07043	34.6
95.04962	9.7
95.08601	48.1
97.10165	60.2
105.07021	22.1
107.08593	43.2
109.06530	7.3
109.10146	17.7
111.08163	7.0
114.13443	5.2
117.07005	12.2
119.08585	17.0
121.06533	10.3
121.10151	22.5
123.08062	14.1
123.11695	7.0
125.09612	63.9
128.21414	5.3
131.08598	12.3
131.66139	5.9
133.06485	5.2
133.10124	15.3
135.08063	7.1
135.11697	12.1
137.05989	6.1
137.09651	9.4
139.11174	17.8
142.52502	5.0
143.10608	5.9
145.10114	15.0
147.11653	11.7
153.09100	41.2
157.10132	7.7
159.08133	6.3
159.11699	11.4
161.09627	11.9
161.13258	10.1
163.11203	6.7
171.04262	7.4
171.10265	6.5
171.11684	7.2
173.13237	11.7
179.10632	10.1
184.02057	4.9
185.13252	6.7
189.11201	100.0
189.12782	9.1
199.57065	5.4
239.05254	5.7
273.18430	15.0
291.19513	14.6
309.20584	34.9
323.18576	15.2
327.21722	22.1
328.10764	5.1
391.49979	5.3
443.27954	16.8
451.28024	7.0
461.28964	52.9
479.30136	51.6
497.29465	6.0
532.29071	43.5
532.36523	23.6
533.21381	15.3
533.30420	15.8
533.38098	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	532.4003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.7
55.05504	16.2
57.07069	8.7
61.46283	2.0
65.03959	3.0
67.05501	22.1
69.07066	25.2
71.08632	2.9
71.34195	3.8
79.05486	12.3
81.03398	2.8
81.07055	31.8
83.04998	2.6
83.08618	12.4
91.05459	19.7
93.07048	28.4
95.04974	3.3
95.08601	57.8
97.06515	4.2
97.10171	7.7
101.06018	2.6
103.05441	2.4
105.00105	3.2
105.07023	33.7
107.08582	40.0
109.08607	2.2
109.10153	22.6
111.08073	3.5
117.06982	4.5
119.08578	55.9
120.08881	2.3
121.04150	2.1
121.06579	2.0
121.10136	41.8
123.11712	14.1
125.06003	2.1
126.98934	2.1
131.08556	17.0
133.10126	68.3
135.11681	29.0
137.13252	3.4
143.07048	2.9
143.08521	3.6
145.10121	27.6
147.11690	26.9
149.13231	14.1
157.10228	3.4
159.11700	23.8
161.13266	22.4
163.14809	15.7
171.11682	2.9
173.13245	18.9
175.14801	15.9
177.09100	3.1
177.16365	13.0
187.11220	5.1
187.14799	24.4
189.16371	82.2
190.16687	3.9
191.17934	88.2
192.18295	4.3
195.00322	8.0
195.75168	2.3
199.14853	5.1
201.16371	100.0
202.16719	4.9
203.17937	49.8
204.18245	2.9
213.16408	10.0
215.17937	10.9
217.19504	3.2
219.17433	3.7
221.15379	4.1
227.17911	2.5
229.19444	12.2
241.19348	2.6
243.21097	7.4
247.16924	65.3
249.18507	11.5
255.20969	4.8
255.23326	2.6
275.20105	3.6
339.28928	4.2
353.09073	2.1
391.33633	13.8
393.35034	4.1
437.34122	98.1
438.34265	9.4
497.35504	3.5
514.39276	4.0
532.32831	3.8
532.39990	7.2
533.27722	2.8
533.34705	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	533.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.8
55.01869	4.3
57.23746	0.9
61.04914	0.7
67.05505	1.0
68.99788	3.7
69.31865	2.6
69.32290	3.3
76.14799	0.8
77.03920	1.6
81.03399	1.1
85.02887	0.8
91.05460	4.9
95.04946	1.4
96.30212	0.8
97.02895	1.5
103.42195	0.8
105.03396	2.5
107.04982	0.8
107.08510	0.7
115.05457	2.9
117.07005	1.9
119.04924	12.3
119.08568	1.2
123.04421	100.0
124.04749	2.9
127.03886	1.4
129.07028	0.9
131.04990	1.3
133.02847	2.6
133.06505	1.5
135.04413	1.4
137.02350	6.7
137.05968	2.1
139.03886	2.0
141.06978	3.4
143.04916	2.8
145.06454	2.3
147.04395	36.5
151.03897	1.8
153.01842	4.1
153.06929	2.4
155.06029	1.0
157.06400	1.0
161.05978	9.7
163.03920	4.5
165.05461	19.7
165.06831	1.0
169.06488	6.6
173.05974	6.2
175.03867	2.1
175.07556	1.5
177.05432	1.3
179.07022	2.0
179.08435	0.9
181.06439	2.8
183.04471	0.9
185.05888	1.4
187.07542	2.0
189.05482	4.1
191.08598	2.7
197.05972	12.1
198.06677	2.3
201.05460	18.3
203.08537	1.3
205.10069	1.0
207.06433	4.3
207.08179	1.3
209.05899	2.6
211.03871	2.2
211.07538	3.0
213.05418	2.3
215.06816	4.8
215.08649	2.2
217.06508	1.0
218.07210	2.2
219.08018	4.2
221.06021	1.8
223.03928	0.8
225.05453	16.3
226.06189	2.3
227.06883	1.8
229.04857	1.5
231.08374	0.9
233.09558	2.5
235.07401	3.9
237.05441	7.5
237.09058	1.6
239.07005	2.5
241.04872	1.7
243.06349	14.4
244.06960	1.2
246.06815	1.0
247.07581	13.1
253.05003	8.8
253.07578	1.2
254.05658	3.6
255.06464	19.6
257.04492	0.9
257.08246	1.3
261.09134	8.9
263.07037	9.8
265.04913	7.4
265.08163	1.7
266.05630	0.9
271.05817	32.2
272.06088	1.6
274.06314	1.3
275.07004	5.3
277.08289	0.9
279.06491	2.7
281.08066	12.6
282.08188	1.2
283.05975	4.8
285.07504	1.7
287.06940	1.0
289.08612	10.9
292.07190	2.8
293.04410	4.1
293.08057	7.6
299.06973	3.5
300.07806	1.5
301.08224	0.9
303.06558	2.6
307.09555	2.9
309.07486	3.8
311.05457	13.3
316.07413	1.2
317.08069	18.1
318.08453	1.6
321.07510	3.0
327.06351	0.9
335.08932	6.2
345.07501	12.2
346.08353	1.5
351.08606	1.7
363.08594	50.4
364.08893	3.5
375.08612	4.6
381.09662	92.5
382.09955	5.6
387.08694	1.1
393.09601	12.2
405.09647	5.4
411.10852	1.2
423.10440	3.6
443.43130	0.9
497.12024	4.4
515.13538	5.3
533.13483	13.4
533.20746	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	533.1437
Annotation	Trichotomine
Peak:m/z	Relative Intensity
50.01950	0.3
50.03174	0.5
50.21768	0.4
51.02379	1.0
53.03915	0.5
55.01865	1.9
55.84635	0.3
65.03932	0.8
67.05499	1.1
68.99789	2.3
69.00112	0.4
69.69579	2.0
71.01344	0.5
72.11175	0.4
77.03928	1.5
83.01321	0.4
88.17757	0.4
91.05476	6.8
95.04968	1.7
97.02880	0.7
105.03384	2.2
105.04498	0.6
105.07022	0.6
107.04929	0.8
115.05437	2.6
115.83379	0.4
119.04927	13.5
121.02876	0.4
123.04420	100.0
124.04769	1.8
125.02360	1.5
127.03929	0.7
129.07019	0.8
131.04919	0.9
133.02840	2.1
133.06479	1.1
135.04408	1.6
137.02348	4.5
137.05960	1.9
139.03902	2.5
141.06975	2.6
143.04921	1.8
145.06468	1.1
147.04395	45.4
148.04776	0.9
149.02400	0.5
149.05965	0.4
151.03923	0.5
152.06227	0.5
153.06963	0.7
159.04335	0.5
159.08075	0.6
161.05975	6.8
163.03880	3.4
165.05469	24.0
166.05803	0.5
169.06474	4.8
173.05968	2.6
175.03941	1.7
175.07448	0.7
176.04494	0.5
177.05510	0.8
179.07002	1.3
181.06445	2.2
183.04333	0.7
184.05244	0.5
185.05963	2.1
187.03905	0.6
187.07584	0.9
189.05562	2.2
189.07040	0.5
191.08539	0.7
197.05972	7.6
198.06674	0.9
199.07562	0.8
200.04665	0.8
201.05453	3.6
203.03389	0.4
207.06435	3.7
207.08112	0.7
209.05956	1.8
211.03970	0.6
211.07553	1.2
213.05513	2.3
215.06892	3.0
215.08768	0.6
218.07178	0.6
219.04385	0.4
219.07962	2.2
221.06018	0.6
225.05426	3.6
226.06107	1.0
227.06998	1.5
229.04941	1.3
231.06506	1.3
232.92960	0.4
233.09561	1.0
235.07460	2.0
237.05463	6.3
237.09216	0.9
239.06947	1.6
241.04913	0.5
243.06448	13.3
244.07039	1.2
247.07603	3.4
249.05260	0.4
251.07022	0.8
253.02519	0.5
253.04874	2.1
253.08669	0.5
254.05513	0.9
255.06488	16.3
256.07162	1.1
257.04431	0.6
257.08078	0.4
259.05893	0.5
260.08386	0.5
261.09109	2.5
263.07013	1.8
264.07669	0.6
265.04974	5.0
265.08578	1.7
266.05875	0.5
267.06506	1.0
271.05881	20.9
272.06195	0.9
274.06433	0.5
275.06940	2.2
276.07608	0.5
277.08636	0.9
279.06561	2.7
280.07346	0.5
281.08060	4.2
283.05902	5.7
285.07620	1.5
288.07703	0.5
289.08493	3.3
290.09097	0.9
292.07257	1.4
293.04501	1.9
293.08066	6.2
295.05890	0.9
297.85071	0.4
299.06979	1.2
301.07104	0.7
303.06555	1.3
305.08112	0.7
307.06030	0.7
307.09448	0.9
309.07590	1.8
311.05444	12.0
311.08780	0.5
315.06479	0.6
316.07205	0.6
317.08044	5.9
318.08539	0.7
319.09695	0.8
321.07553	2.6
327.06439	0.8
329.08044	0.7
331.09537	0.6
332.06912	0.6
335.09003	2.4
345.07523	4.8
351.08643	1.6
363.08600	19.4
364.09006	0.7
369.09555	1.6
375.08594	6.1
381.09653	43.2
382.10037	2.6
387.08633	1.3
393.09622	13.0
394.10114	0.7
405.09644	6.7
411.10745	0.7
423.10587	4.0
469.12790	0.6
480.20978	0.5
497.12216	4.0
515.13379	7.3
533.14331	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	533.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.8
52.31785	0.7
53.03957	0.9
55.01869	3.7
58.70464	0.8
59.14569	0.8
61.76955	0.9
67.05501	1.8
68.99789	2.2
69.30986	5.1
70.62830	0.7
71.01354	0.9
71.04963	0.8
81.03397	1.1
91.05449	6.6
95.04974	1.5
101.83211	0.7
105.03374	3.3
105.07034	1.9
115.05426	3.8
117.07001	1.6
119.04935	13.2
123.04417	100.0
124.04750	1.9
125.02375	0.9
127.03908	1.8
131.04927	1.4
133.02827	2.2
133.06447	1.4
135.04390	1.9
135.07948	1.4
137.02318	5.2
137.05977	1.8
139.03877	1.8
141.06950	4.1
143.04903	3.1
145.06491	1.9
147.04399	39.5
148.04771	1.0
151.03874	1.3
152.06210	1.0
153.01813	4.1
153.06978	0.9
155.04840	1.0
157.06438	0.9
161.05951	8.3
163.03958	3.6
165.05478	19.3
165.06927	1.6
169.06491	7.5
173.05986	4.6
175.03885	1.9
175.07483	1.2
177.05421	1.8
179.07037	2.3
181.06451	2.6
183.04396	0.8
184.05266	1.4
185.05931	2.0
187.07559	2.5
189.05431	3.3
189.06874	1.1
190.07709	1.5
191.08600	1.8
197.06001	12.0
198.06718	2.0
199.07541	1.1
200.04684	0.7
201.05460	14.0
202.05803	1.0
203.06973	1.1
203.08615	0.8
205.04707	1.3
205.10204	0.9
206.04425	0.8
207.04733	1.1
207.06395	4.4
209.06018	1.9
211.03911	1.7
211.07541	2.4
213.05455	2.3
215.06831	4.1
215.08640	2.3
218.07225	2.4
219.08083	4.6
221.05977	1.2
225.05441	15.0
226.06149	3.2
227.06824	1.6
229.04840	1.6
233.09642	1.9
235.07547	3.2
237.05443	6.9
237.09013	1.1
239.06999	1.7
241.04901	1.3
243.06346	15.6
246.06870	0.9
247.07585	8.5
251.07063	1.5
253.04871	8.5
253.08687	0.9
254.05736	3.3
255.06482	19.9
255.09018	1.5
256.06915	1.3
257.04309	1.0
261.09177	9.6
263.07037	7.6
264.07410	0.9
265.04953	8.1
265.08185	1.3
271.05771	31.0
272.06259	0.9
274.06207	0.9
275.07056	5.0
277.08618	1.1
279.06503	3.4
281.08035	13.2
283.05945	4.2
285.07440	2.2
289.08527	10.6
290.08997	1.0
291.06503	1.5
292.07278	4.0
293.04422	2.7
293.08066	9.5
299.07013	4.4
303.06580	2.9
307.09641	2.4
309.07596	2.5
311.05447	12.9
316.07620	1.0
317.08038	17.0
317.11365	1.5
318.08615	1.4
319.09970	0.9
320.53351	0.9
321.07431	2.4
322.49307	0.8
327.06189	1.1
333.07748	1.3
335.09076	4.4
345.07477	11.0
346.07877	1.1
347.09186	1.0
351.08472	1.2
357.07632	0.8
363.08585	46.8
364.08948	3.2
369.09714	1.4
375.08743	3.1
381.09647	75.2
382.09680	3.5
387.08746	1.9
393.09662	12.0
394.10147	1.0
405.09695	6.0
411.10886	1.3
423.10812	4.0
497.12289	4.0
515.13361	5.8
533.14130	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	533.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81491	0.7
55.01871	2.0
61.01141	3.1
68.12263	0.7
68.99786	2.8
70.32902	2.2
72.04506	5.5
78.03773	3.3
81.07047	1.2
85.02901	0.8
85.06537	1.4
86.06083	1.6
88.02213	5.3
91.05468	4.1
92.05837	0.8
93.06986	0.8
95.04954	1.0
95.08627	1.2
98.02474	0.9
98.06029	1.2
99.05558	1.8
102.03764	6.0
105.07010	1.0
107.04941	1.5
109.10130	1.4
113.05949	0.9
115.08702	1.0
121.10154	0.8
123.04430	1.8
124.07533	0.7
128.06200	1.4
129.07027	1.9
131.06389	3.5
131.08615	1.2
132.04759	5.5
137.02280	0.8
137.05966	2.5
137.09607	1.5
138.10033	0.9
139.03882	1.1
142.08627	1.7
145.10130	1.1
149.07430	21.4
149.08589	1.6
151.03938	1.0
152.06122	1.6
153.01862	1.6
153.05847	0.7
153.06955	4.8
155.08513	0.8
157.06487	7.6
159.05862	1.8
165.06918	1.1
165.09152	1.2
166.09544	0.8
169.06468	0.8
171.07988	2.5
175.07509	1.0
178.05005	2.7
181.04898	1.1
181.06459	13.0
182.06955	0.9
184.09703	1.8
185.05984	3.2
187.07565	2.9
199.07544	8.3
209.06030	4.1
213.05460	7.1
227.06996	16.1
237.05455	2.7
240.55594	0.8
243.11591	0.8
255.06519	100.0
256.06796	5.2
261.12695	31.5
262.13052	1.2
277.53061	0.7
284.09225	2.9
326.10199	6.9
352.57761	0.8
371.05695	3.7
371.18161	1.7
403.13391	1.2
515.18439	2.0
533.11163	4.1
533.23871	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	533.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74652	0.1
55.01852	0.1
55.05475	0.2
57.03386	0.4
61.02903	0.1
65.01890	0.1
67.05463	0.2
69.03368	0.3
69.07033	0.2
73.02930	0.8
79.05448	0.2
81.03360	0.2
81.06992	0.4
85.02862	0.3
91.05419	0.4
93.06982	0.3
95.04946	0.1
95.08552	0.3
97.02856	0.1
103.05469	0.1
105.06976	0.4
107.08537	0.4
109.06491	0.1
109.10123	0.2
119.08516	0.4
121.10083	0.2
123.08033	0.1
124.60503	0.1
133.10100	0.3
137.05927	0.2
141.05095	0.1
143.08569	0.1
145.10086	0.2
147.11673	0.1
157.10191	0.1
161.09552	0.2
169.04701	0.1
169.10115	0.1
187.07483	0.2
193.08563	0.4
221.08029	0.5
229.06990	0.1
275.07285	0.3
292.70752	0.1
296.10394	0.2
311.12607	0.6
313.16165	2.1
317.08423	0.9
333.08014	0.3
335.09436	2.7
348.60773	0.1
364.68198	0.1
371.15179	0.2
401.21548	0.7
445.20432	27.4
446.20581	1.5
478.32846	0.2
533.25659	100.0
534.26019	6.9
534.32397	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	533.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68008	1.4
53.03946	1.9
55.01870	2.5
55.05510	2.4
56.96584	1.6
57.03441	2.3
67.05505	4.4
68.64856	1.4
69.03424	14.5
69.07063	4.9
71.04977	2.1
71.12980	2.5
73.02886	1.7
79.05509	3.8
81.03410	9.5
81.07053	7.6
83.04991	5.0
85.02904	20.6
85.06541	1.9
91.05483	4.0
93.07051	14.4
95.04977	5.6
95.08625	6.7
97.02899	10.0
97.06552	2.5
98.97590	2.1
99.04462	3.8
101.01768	1.5
101.06020	2.3
101.29614	1.3
105.07059	5.8
107.05005	2.3
107.08614	8.9
109.02897	5.3
109.06514	8.3
109.10136	3.1
111.04434	2.2
111.08107	2.4
113.05984	1.4
119.08581	5.2
121.06547	2.0
121.10151	13.2
123.04431	1.6
123.08084	4.2
123.11697	2.9
125.06001	1.7
127.03881	7.4
129.07011	1.9
131.08595	3.7
133.10127	4.3
135.08069	3.9
135.11815	1.7
137.05977	4.1
137.09602	9.7
139.07533	1.6
139.11179	2.3
143.08575	1.8
145.04988	4.3
145.10135	2.9
147.04407	3.2
147.11725	1.7
149.09653	8.9
149.13306	4.3
151.07593	2.8
151.11194	11.1
153.01833	6.4
161.09612	1.7
163.11243	4.2
163.14865	1.7
165.12759	34.3
167.07068	4.7
167.10672	8.8
169.08553	2.2
171.11569	1.6
173.13371	4.0
174.42120	1.3
177.05551	3.3
178.05086	1.7
181.08698	1.5
181.12306	1.6
185.11755	2.1
187.06027	2.0
187.69936	1.4
191.10648	2.1
191.14252	10.3
206.04477	1.9
209.15367	100.0
210.15762	4.8
227.12802	3.7
293.14209	1.8
311.15009	3.1
353.16357	1.8
471.21683	4.6
473.20441	3.4
533.21973	58.8
534.22620	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	533.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79715	1.2
55.05508	2.9
56.08955	1.2
57.07081	1.6
59.04996	2.0
65.75506	1.3
67.05512	6.0
69.06188	3.3
69.06605	8.3
69.07064	4.9
69.44731	1.3
69.45135	1.2
71.05004	3.3
79.05503	3.4
81.03426	3.1
81.07057	6.1
82.07411	1.3
83.08619	1.5
87.04472	2.3
91.05491	3.9
93.07062	5.2
95.04960	2.9
95.08604	7.3
97.06565	2.8
98.23430	1.3
105.07014	2.2
107.04962	1.7
107.08612	3.4
109.10155	3.6
111.11736	1.2
119.08591	3.5
121.06548	2.1
121.10135	4.7
123.08084	2.0
127.03917	6.1
133.10139	2.8
135.08099	2.1
135.11702	2.8
137.09610	12.2
139.11212	3.7
149.09657	1.4
153.05478	1.5
155.03409	13.8
163.03934	1.3
163.07491	1.7
165.09212	1.4
167.10730	1.6
173.13312	1.7
181.05052	1.2
183.10210	12.4
191.07024	25.6
193.12303	1.4
195.02959	1.3
205.08614	3.6
208.07388	4.4
209.04480	4.0
209.08124	11.3
223.09657	15.4
228.17856	1.3
235.13358	4.7
237.14880	11.6
251.09129	8.7
261.07712	1.5
275.12817	3.1
277.14319	2.5
285.11215	1.8
303.12366	2.6
391.17502	100.0
392.17917	6.7
398.12241	1.3
422.20731	1.3
435.29037	3.6
445.79645	1.3
461.21878	10.1
472.25629	1.5
526.90948	1.6
533.32214	2.1
533.39807	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53995	1.3
59.05001	1.4
77.58711	1.3
78.77122	1.2
81.07047	1.7
87.04491	1.7
91.05473	2.3
92.26822	1.2
93.07034	1.6
95.08610	2.8
97.06500	1.3
105.07006	1.8
107.08536	1.4
109.10182	1.4
113.07536	1.2
121.10105	1.7
127.03899	4.2
135.08026	2.1
137.09621	12.2
139.11145	3.3
142.84500	1.6
144.84305	1.3
153.05420	1.9
155.03387	16.7
163.03893	2.5
163.07434	2.5
165.09103	1.8
167.03391	2.1
167.10704	1.8
181.04987	1.3
183.10170	10.2
191.07027	27.7
191.72290	1.3
195.02928	1.3
205.08627	2.0
207.06650	2.2
208.07304	6.0
209.04431	5.3
209.08038	7.5
221.07996	1.7
223.09712	11.9
233.08060	2.3
235.09578	3.1
235.13290	2.9
237.14850	10.6
251.09172	7.1
275.12888	2.1
277.14316	2.2
288.21664	1.3
320.83566	1.3
357.61774	1.7
391.17484	100.0
392.18118	6.0
452.09143	1.4
461.21704	10.9
481.46594	1.7
502.61148	1.3
533.39282	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.2
55.73048	0.6
57.07066	3.1
59.04987	1.8
62.41231	0.6
67.05490	2.4
69.03421	1.8
69.07047	2.8
70.02937	3.6
71.33729	1.1
72.04512	8.1
73.01991	0.6
73.02903	2.0
74.02444	0.7
79.01852	1.5
81.03415	3.4
83.04967	0.9
85.02911	1.2
85.06539	5.3
86.09694	1.2
87.08089	1.4
87.65801	0.6
90.05547	54.8
95.04955	3.8
96.08104	1.0
97.02880	1.5
98.02403	7.9
100.03970	1.4
103.07601	3.9
106.66331	0.7
107.01342	0.8
109.02876	2.5
113.05983	1.1
116.03440	8.0
123.04400	5.6
124.04767	1.8
124.07581	8.2
125.02332	1.4
127.03901	7.6
128.04185	1.5
131.06972	0.9
135.04378	1.3
137.05949	1.1
142.08636	5.0
143.03358	2.0
147.04414	2.2
148.04698	1.1
153.01810	37.5
153.02884	1.9
154.02052	0.9
160.09634	1.6
163.03937	1.6
166.08607	1.4
171.02893	2.9
173.05940	0.6
174.11218	1.4
184.09686	10.9
185.09958	1.0
190.54784	0.7
202.10696	18.1
203.11169	0.9
207.00612	0.6
220.11778	100.0
221.12175	2.9
229.04868	0.6
230.05588	1.3
246.04646	1.0
257.04419	2.7
258.04828	3.4
269.04578	0.8
271.06027	1.3
272.06396	1.1
287.05283	0.8
297.05917	2.3
315.06964	1.9
382.10052	0.8
392.08463	1.1
409.09152	2.4
410.09482	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	534.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29656	0.2
53.03949	1.6
55.05512	0.8
57.03426	1.1
66.01830	0.2
67.05505	0.5
69.02004	1.3
69.02431	1.3
69.03125	0.3
69.03432	2.9
69.07037	0.3
71.05000	0.3
75.04469	1.1
79.05495	6.0
80.05820	0.3
81.03418	3.7
81.07053	1.3
83.01336	0.6
83.04967	0.3
83.08608	0.3
85.02892	1.7
91.05478	4.8
93.07044	22.6
94.07369	0.5
95.04958	1.0
95.08601	0.8
97.02901	1.4
98.23265	0.6
99.04454	0.6
100.11240	0.7
103.05453	0.4
105.04500	0.7
105.07035	3.0
107.04943	0.3
107.08593	4.0
109.02866	2.1
109.06525	0.5
111.04408	0.3
111.08073	1.0
115.03890	0.8
119.08585	1.0
121.06525	0.5
121.10143	20.1
122.10493	0.6
123.08066	0.3
123.11704	0.4
125.06029	0.3
127.03902	1.1
130.96526	0.3
131.08569	2.0
132.04453	6.2
132.47809	0.3
133.04968	0.7
133.07574	0.3
136.85426	0.3
137.05998	0.4
139.11179	0.7
143.03349	0.6
145.04922	0.6
145.10242	0.2
148.57912	0.3
149.09621	11.4
150.09912	0.4
151.07619	0.3
153.01830	2.4
153.02968	0.4
157.04962	2.3
160.03976	0.6
163.07574	0.3
165.05417	0.3
165.09128	0.4
167.10686	1.4
177.09091	0.6
178.04990	58.5
179.05380	1.4
189.07581	0.7
193.08644	0.5
205.08508	0.3
206.04485	100.0
207.04822	3.5
217.04919	0.3
233.08073	3.7
234.08769	2.8
235.09593	0.3
245.08040	1.1
257.08051	0.3
261.07584	0.4
263.09164	6.2
273.11246	0.7
275.59357	0.3
287.09100	0.5
293.10791	0.4
293.13858	3.9
299.09216	0.4
301.10620	0.7
311.14877	2.7
317.10251	1.1
329.10217	0.6
329.15991	0.3
347.11374	1.5
365.12274	1.1
383.13388	0.7
432.03146	0.2
516.18665	3.3
516.57892	0.3
517.13464	0.8
534.20776	0.5
534.29944	0.3
534.43604	1.0
535.14648	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	534.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95993	2.7
53.03930	4.4
56.24647	2.5
68.43761	2.4
68.99799	2.5
69.03444	4.6
69.88370	6.8
69.88761	4.1
70.06577	4.6
71.61754	2.5
79.01849	4.4
79.05503	4.2
79.73660	2.4
81.03413	10.6
84.04500	5.5
85.02888	3.5
89.03905	3.6
91.05466	8.0
97.02890	8.0
99.04454	3.7
104.66639	3.0
106.41280	2.3
107.04938	8.7
109.02893	8.5
117.03371	7.4
119.04956	8.2
121.06447	3.0
122.03589	2.9
122.84213	2.4
123.04415	41.7
124.04726	12.7
125.02318	3.7
126.05529	4.6
127.03886	24.1
128.04243	3.6
128.06189	3.2
133.06499	3.5
135.04404	9.9
137.02402	4.2
137.05971	100.0
138.05457	3.1
139.03867	4.6
141.06970	2.8
143.03432	3.0
144.08980	2.5
145.02855	18.7
145.04872	2.8
147.04384	22.7
148.04747	4.6
149.05986	9.1
151.03882	4.8
151.07523	5.8
153.01819	80.3
153.02904	4.7
154.02127	17.3
161.05963	9.4
163.03896	4.4
163.07442	3.9
164.04167	3.1
165.05464	7.1
165.06982	3.3
167.07018	5.6
171.02875	6.2
171.08147	2.9
172.08366	3.3
174.06699	2.9
177.05457	37.6
179.06960	6.1
181.04887	8.0
181.06419	3.8
181.08591	2.9
189.08878	3.7
201.05495	5.1
203.07187	2.7
203.10710	10.8
204.08739	3.4
204.11002	8.5
220.10519	2.7
225.09036	3.3
237.05412	5.4
244.06616	4.0
245.08165	3.3
255.06442	4.6
256.06967	7.0
271.06250	4.4
271.09656	14.0
272.06177	2.9
273.11252	3.5
285.11182	4.9
293.07703	3.8
298.06372	3.2
315.06967	6.9
315.12225	8.4
355.11664	3.7
364.08890	6.2
381.09528	3.4
382.10022	10.3
394.09924	3.5
413.15643	3.0
534.16156	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	534.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95993	2.7
53.03930	4.4
56.24647	2.5
68.43761	2.4
68.99799	2.5
69.03444	4.6
69.88370	6.8
69.88761	4.1
70.06577	4.6
71.61754	2.5
79.01849	4.4
79.05503	4.2
79.73660	2.4
81.03413	10.6
84.04500	5.5
85.02888	3.5
89.03905	3.6
91.05466	8.0
97.02890	8.0
99.04454	3.7
104.66639	3.0
106.41280	2.3
107.04938	8.7
109.02893	8.5
117.03371	7.4
119.04956	8.2
121.06447	3.0
122.03589	2.9
122.84213	2.4
123.04415	41.7
124.04726	12.7
125.02318	3.7
126.05529	4.6
127.03886	24.1
128.04243	3.6
128.06189	3.2
133.06499	3.5
135.04404	9.9
137.02402	4.2
137.05971	100.0
138.05457	3.1
139.03867	4.6
141.06970	2.8
143.03432	3.0
144.08980	2.5
145.02855	18.7
145.04872	2.8
147.04384	22.7
148.04747	4.6
149.05986	9.1
151.03882	4.8
151.07523	5.8
153.01819	80.3
153.02904	4.7
154.02127	17.3
161.05963	9.4
163.03896	4.4
163.07442	3.9
164.04167	3.1
165.05464	7.1
165.06982	3.3
167.07018	5.6
171.02875	6.2
171.08147	2.9
172.08366	3.3
174.06699	2.9
177.05457	37.6
179.06960	6.1
181.04887	8.0
181.06419	3.8
181.08591	2.9
189.08878	3.7
201.05495	5.1
203.07187	2.7
203.10710	10.8
204.08739	3.4
204.11002	8.5
220.10519	2.7
225.09036	3.3
237.05412	5.4
244.06616	4.0
245.08165	3.3
255.06442	4.6
256.06967	7.0
271.06250	4.4
271.09656	14.0
272.06177	2.9
273.11252	3.5
285.11182	4.9
293.07703	3.8
298.06372	3.2
315.06967	6.9
315.12225	8.4
355.11664	3.7
364.08890	6.2
381.09528	3.4
382.10022	10.3
394.09924	3.5
413.15643	3.0
534.16156	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	534.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.2
55.01864	1.5
55.05495	1.4
57.03434	12.8
59.04990	1.6
61.02917	4.3
61.49082	0.3
65.03923	0.5
67.05489	1.4
69.03426	14.3
69.07063	1.0
71.01360	2.0
71.04970	1.2
73.02914	25.2
79.05486	3.8
81.03420	3.1
81.07041	3.0
83.04988	0.9
83.08637	0.5
85.02901	21.2
85.06505	0.5
86.03236	2.0
86.06045	0.6
87.04465	2.6
91.03967	0.6
91.05477	2.7
93.07046	3.6
95.04951	1.5
95.08620	2.3
97.02885	17.6
97.06536	0.7
97.10165	0.7
98.03205	0.6
99.04445	1.3
100.95660	0.4
101.65114	0.4
103.03941	0.5
103.05450	1.8
104.06244	1.4
105.07024	23.8
106.07370	0.8
107.04967	1.0
107.08595	2.9
109.02882	2.6
109.06507	1.8
109.10160	1.2
110.03227	0.5
111.04404	1.1
113.05981	0.5
115.03925	13.8
117.06991	1.1
119.04933	0.8
119.08569	2.0
121.06485	1.5
121.10160	3.2
123.04412	0.8
123.08036	1.4
123.11725	0.7
124.05200	0.4
124.08421	0.6
125.05961	0.8
125.09645	0.5
127.03904	6.7
131.04927	1.3
131.08565	1.3
132.05731	2.1
133.05023	4.2
133.06483	33.0
133.10101	2.7
134.06839	0.6
135.04398	1.5
135.08032	1.9
135.11668	1.3
136.08354	0.8
137.05974	19.7
137.09596	1.1
138.06302	0.8
142.07924	0.5
143.03419	0.5
143.08511	0.5
145.04944	6.2
145.10136	0.7
146.05284	0.6
147.08105	0.5
147.11697	1.0
148.11984	0.5
149.05957	0.7
149.09586	0.8
150.06746	39.5
151.03915	1.4
151.07233	0.9
153.01807	5.3
153.02936	0.8
157.10146	0.8
159.08107	0.6
159.11678	1.2
161.05966	0.7
161.09601	0.6
163.06021	1.3
163.07487	0.9
165.09106	100.0
166.09406	2.5
166.13098	0.4
167.03433	0.5
167.07051	1.4
167.10606	0.4
171.11694	0.7
173.09608	0.6
173.13219	0.9
175.07521	0.8
175.14912	0.8
177.09065	1.2
180.08635	0.4
181.04919	0.8
183.10130	0.9
187.11195	0.6
187.14781	0.8
189.09163	0.8
189.12729	0.8
191.10654	0.5
191.14337	3.6
192.14659	3.7
193.04944	1.0
193.15880	1.0
194.16127	0.5
198.11285	1.2
203.14290	0.5
203.57820	0.4
205.12238	1.8
205.15895	1.2
207.09955	0.4
209.15361	0.8
221.11676	0.8
223.05984	0.6
223.13280	31.8
224.13672	1.2
241.07016	1.0
301.17941	0.4
332.75943	0.5
372.21201	0.4
436.21954	0.7
450.27258	0.5
534.24561	2.4
534.40283	0.5
535.21057	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	534.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.4
55.01868	2.5
55.05506	0.9
57.03439	14.5
57.07076	0.9
59.04999	1.8
61.02924	4.3
67.05508	1.5
69.03076	0.7
69.03437	10.0
69.07085	1.3
71.01350	2.2
71.04989	1.4
73.02919	27.3
79.05486	3.4
81.03411	2.5
81.07057	3.4
82.86691	0.6
83.08618	0.8
85.02407	1.2
85.02909	21.4
87.04466	1.9
90.68961	0.6
91.03935	0.9
91.05482	1.8
93.07056	4.1
95.04963	1.4
95.08585	3.3
97.02897	17.2
97.06517	1.0
98.22620	1.6
98.81975	0.7
99.04434	1.6
103.05424	2.0
104.06236	1.1
105.07032	22.0
107.04941	1.0
107.08584	2.8
109.02882	2.8
109.06528	1.4
109.10131	1.7
111.04444	1.3
111.08064	0.7
115.03930	14.0
117.07005	0.7
119.08578	2.6
121.06506	1.4
121.10162	3.7
123.04454	1.4
123.08084	0.9
123.11674	0.8
127.03923	5.4
129.06950	1.0
131.04935	1.1
131.08595	1.6
132.05696	2.2
133.05029	4.7
133.06493	32.2
133.10120	2.3
134.06822	0.8
135.04373	1.5
135.08023	1.6
135.11711	1.3
137.05972	19.6
137.09564	1.0
143.07010	0.7
143.10596	0.9
145.04955	4.8
145.06038	0.7
145.06540	0.9
145.10156	1.3
147.07982	0.7
147.11703	0.7
149.06070	0.8
149.13266	0.8
150.06757	40.3
151.03918	1.0
151.07268	1.2
153.01828	6.0
153.05482	0.7
157.10193	0.7
159.11665	0.9
161.06007	0.6
161.09659	0.9
163.05997	1.8
163.07430	1.1
163.11168	1.1
165.09117	100.0
166.09451	2.7
171.08014	0.7
175.07530	0.9
175.14798	0.8
177.09132	1.3
181.04993	1.1
183.10146	0.9
189.09055	0.9
191.14328	3.2
192.14664	2.4
201.09079	0.8
205.12248	2.8
205.15881	0.8
223.06094	0.9
223.13303	30.9
224.13597	1.7
233.08238	1.5
233.11728	0.8
235.09802	0.8
241.07007	0.8
263.09326	1.1
337.23816	0.6
354.19443	0.7
503.81042	0.7
534.24274	2.8
535.20837	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	534.3408
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91993	0.4
55.05455	0.6
63.68614	0.5
65.44015	0.4
67.05442	1.2
69.07005	0.6
69.23117	4.0
75.72533	0.4
76.14384	0.4
79.05409	0.7
81.06985	1.3
89.19550	0.5
90.05839	0.4
91.05406	0.6
93.06960	0.8
95.08546	1.2
98.22600	1.0
105.06954	0.6
107.08531	0.9
109.10083	0.5
119.08498	1.3
121.10036	1.1
125.09526	0.7
131.08519	1.0
133.10049	0.9
145.10049	0.7
147.11662	0.6
164.16083	0.5
173.13232	0.5
174.14870	1.2
187.14841	0.5
189.11160	0.5
197.25722	0.5
222.17926	0.5
248.99103	0.4
317.20847	0.6
368.41586	0.5
389.22742	0.6
431.27667	16.6
447.27173	100.0
448.27448	5.6
453.30609	0.6
475.26691	5.1
476.26767	0.6
499.31046	0.5
534.34009	18.4
535.27863	1.2
535.35083	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13221	4.9
53.33633	5.0
55.05505	8.9
57.07082	5.2
61.16917	4.5
67.05487	10.3
69.07053	13.1
71.33711	5.4
79.05505	16.9
81.07064	20.3
83.08606	8.3
85.02950	6.5
90.99474	4.7
91.05473	11.2
93.07039	25.7
95.08603	31.9
105.07019	24.3
107.08581	42.4
109.10172	17.8
111.08112	13.7
117.06998	8.1
119.08590	25.6
119.15363	4.9
120.57310	5.2
121.06487	7.5
121.10131	32.4
123.08105	7.9
123.11727	8.9
124.99949	5.5
131.08566	11.4
133.10159	24.0
135.08040	13.0
135.11700	14.2
137.13246	11.8
143.08611	11.8
145.10146	21.5
147.11668	18.8
149.13277	19.9
155.08571	11.5
157.10155	7.9
159.11693	10.3
161.13275	15.6
163.14832	16.8
167.07062	6.2
168.09401	7.8
169.10129	14.9
170.10764	4.8
171.11714	17.0
173.13289	16.3
175.14793	10.5
177.16406	9.5
183.11717	21.1
184.07355	13.7
185.13298	25.7
187.14825	22.0
189.12741	8.5
189.16365	5.9
195.11717	5.1
197.13249	15.9
199.14851	8.8
201.12749	10.1
201.16406	11.2
205.15988	6.8
209.13171	8.8
211.14790	8.7
215.14299	6.0
229.15926	14.6
295.20505	7.4
298.22092	5.0
341.21161	7.6
365.28040	6.8
389.28488	39.6
393.27432	6.4
407.29388	60.2
411.29056	29.4
425.30508	32.7
429.30042	5.5
435.29031	26.2
453.29974	100.0
471.31119	68.2
472.31030	6.2
499.30029	5.4
517.31763	9.0
535.28729	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	534.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24943	0.9
55.05507	1.9
59.36882	1.0
60.08160	5.5
67.05492	2.9
69.07057	4.1
71.07368	4.4
79.05511	2.4
79.46015	1.0
81.07043	4.6
83.08631	1.8
84.74257	1.0
86.09698	33.1
86.10210	2.3
91.05476	4.4
93.07037	4.5
95.08598	6.4
97.06575	1.2
97.10152	1.5
98.22572	2.0
98.98442	2.4
104.10736	6.9
105.07021	6.2
107.08582	6.8
109.06484	1.4
109.10162	4.3
111.08083	12.5
117.07032	1.6
119.08579	10.3
121.10146	7.7
123.08080	1.3
123.11690	2.5
124.99996	23.6
129.06999	1.1
131.08560	4.0
133.10132	6.2
135.08064	1.3
135.11691	3.7
143.08511	2.6
145.10063	8.7
147.08060	1.2
147.11694	3.2
149.09570	1.1
149.13297	2.2
152.31323	1.0
155.08488	1.2
156.09373	1.6
157.10117	2.8
159.11691	4.9
161.09637	1.3
161.13258	4.0
163.14813	2.1
165.09180	1.3
169.10130	1.8
170.10872	1.8
171.11694	3.8
173.08067	1.8
173.09526	1.4
173.13220	5.6
175.14813	2.1
177.12694	1.8
179.14331	1.1
183.11667	3.4
184.07332	100.0
185.07788	1.1
185.13271	14.4
187.14828	14.1
188.15359	1.3
189.12766	1.9
189.16341	1.9
193.15962	1.2
197.13362	1.2
199.14835	3.5
201.16374	2.7
203.14348	1.7
205.15866	3.4
207.13728	1.1
211.14819	1.5
213.16362	2.4
215.14224	2.1
217.15862	2.0
221.15308	1.1
229.15889	1.2
231.17448	1.1
233.15508	1.7
234.78763	1.2
235.16980	1.5
239.18025	1.4
245.15305	1.1
365.28241	2.0
389.28424	1.9
393.27814	1.9
407.29498	10.2
411.28873	3.5
425.30566	4.0
429.30038	4.9
435.29007	4.8
453.30032	10.8
471.31058	6.1
481.29636	1.7
499.30270	3.1
516.30298	1.9
517.31525	14.7
534.31464	4.3
534.38910	1.4
535.29132	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	534.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01306	0.1
55.05506	0.4
56.05040	0.7
56.16580	0.2
58.06631	0.5
59.07389	0.2
60.08162	6.9
67.05502	0.8
69.07066	0.4
70.06583	0.1
71.07366	3.2
71.33900	0.2
79.05485	0.2
81.07055	0.8
83.08599	0.3
86.09702	32.1
86.19859	0.2
87.10056	0.4
89.43716	0.1
91.05496	0.2
93.07048	0.3
95.08599	0.6
98.98460	3.6
98.99083	0.3
104.10737	3.2
105.07042	0.2
105.34741	0.1
107.08596	0.2
109.10144	0.2
115.33527	0.1
119.08603	0.2
124.99997	23.3
130.15601	0.1
133.10126	0.2
140.56354	0.2
143.01036	0.3
145.10167	0.2
184.07330	100.0
185.07678	1.3
226.92554	0.2
351.28986	0.2
492.38943	0.2
516.34369	1.0
534.35614	1.3
535.28485	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75353	15.0
52.92116	16.0
53.03944	16.1
54.06682	15.3
54.39341	16.9
55.05493	20.8
67.05500	78.2
69.07066	52.2
71.33618	22.3
78.41497	15.8
79.05489	42.2
81.07035	90.5
83.08659	22.6
85.06556	18.4
91.05465	31.8
93.07037	51.1
95.08621	100.0
97.10186	21.2
105.07050	53.5
107.08607	83.8
109.10154	51.5
112.23424	16.3
119.08558	36.3
121.10204	33.3
123.11720	27.2
131.08621	20.3
132.14563	15.5
133.10081	43.1
134.70265	17.5
135.11697	57.5
142.18686	15.5
147.11667	43.7
149.13284	20.3
159.11630	22.7
161.13219	19.6
163.14818	24.7
177.16385	21.3
185.13342	24.9
189.16443	21.6
217.19547	57.9
235.20522	63.7
280.12033	19.4
309.24185	31.5
499.30243	18.0
534.32019	65.1
535.28583	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	22.6
57.03445	6.7
57.07068	5.5
59.83910	4.0
62.20534	3.7
67.05507	75.0
69.07075	23.4
71.08633	6.0
76.54861	3.6
79.05488	32.4
81.03421	5.6
81.07056	100.0
83.08625	24.9
85.02924	8.8
91.05489	19.8
91.42300	3.9
93.05509	4.6
93.07046	30.0
95.08613	89.3
95.40511	3.5
97.06536	8.2
97.10173	10.6
105.07063	20.0
107.08600	23.8
109.10159	42.8
111.11707	5.9
113.09663	5.3
119.08601	18.4
121.10163	22.4
123.11700	31.7
123.61392	4.3
133.10129	17.9
135.11684	17.1
137.13257	7.5
147.11682	11.4
149.13306	14.9
151.14886	5.6
161.13283	13.8
163.14865	13.9
165.16418	9.5
175.14844	11.2
179.17921	6.2
189.16313	4.0
196.12837	5.0
199.20473	4.1
245.22672	54.2
263.23679	62.9
273.18811	4.3
337.27475	29.4
356.75470	4.4
364.73697	4.4
375.18817	5.4
380.72797	4.8
389.26709	5.1
463.26501	14.2
535.32129	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	534.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	25.0
57.07076	10.9
60.08139	4.0
61.02922	6.8
67.05501	73.0
69.03434	2.9
69.07059	20.1
69.58850	19.3
71.05002	3.4
71.08634	6.5
79.05482	28.1
81.07053	100.0
82.07397	4.5
83.04984	5.6
83.08600	21.9
84.95109	3.0
85.02919	3.9
85.06526	4.1
86.09713	11.1
91.05486	18.8
93.07040	34.1
95.04921	3.2
95.08601	90.0
97.02869	3.0
97.06545	8.4
97.10161	14.7
99.08113	5.1
104.10741	39.5
105.07037	16.6
107.08586	21.9
109.10159	34.1
111.08074	7.7
119.08595	14.7
121.10129	27.3
123.11683	24.0
124.99987	5.9
133.10115	20.1
135.11708	9.9
137.09590	3.8
137.13283	8.0
139.11246	3.3
145.10178	3.9
147.11684	10.7
149.13252	9.4
151.14828	6.7
155.14226	6.7
161.13208	15.0
163.14835	11.2
165.16383	6.2
175.14885	9.0
177.05417	3.7
179.17975	4.7
184.07317	21.7
189.16310	4.3
245.22672	58.4
263.23703	66.4
263.26392	5.7
264.24084	4.8
337.27386	50.6
355.28311	5.0
475.21988	6.5
534.34253	4.1
535.31049	6.9
564.59906	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.4882
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.7
55.05507	7.8
55.93915	0.5
56.04774	0.5
56.05036	6.3
57.07069	3.1
58.06605	0.7
60.04530	3.1
60.35349	0.5
65.03917	1.1
67.05502	18.0
68.05007	1.4
69.07067	9.0
69.79202	1.7
70.06583	2.1
71.08621	2.5
72.04498	0.7
75.09676	0.4
79.05489	14.7
80.05009	4.2
81.05779	2.1
81.07052	13.3
82.06575	9.9
82.07348	0.6
83.08610	5.8
85.10157	1.0
90.57279	0.5
91.05476	11.6
93.05791	0.7
93.07038	12.9
94.06558	22.3
95.04999	1.2
95.06797	0.8
95.07348	11.3
95.08601	10.4
96.08130	5.5
97.10154	3.6
100.07536	0.6
104.36201	0.4
105.04499	0.9
105.06413	0.7
105.07027	6.7
107.07346	0.6
107.08592	6.5
108.08119	3.4
109.10134	3.8
111.11723	1.1
119.08565	7.4
121.08879	0.9
121.09311	0.7
121.10134	6.5
122.09681	2.6
123.11687	1.6
133.10126	3.9
135.10489	1.1
135.11667	3.9
136.11186	0.7
137.13219	0.7
147.11671	1.7
147.86392	0.5
147.87624	0.4
149.13239	1.3
161.13214	0.8
161.50119	0.5
163.14873	1.0
184.07323	1.0
217.39671	0.5
219.21109	1.0
233.22644	4.7
234.22343	0.6
245.22627	3.7
250.25285	11.0
251.25697	0.6
260.23697	0.7
262.25284	100.0
263.25653	4.0
272.25781	4.3
280.26297	8.6
281.26849	0.6
504.47650	2.0
516.47839	5.0
534.48810	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	534.4876
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.6
55.05510	8.3
56.04772	0.5
56.05035	6.1
57.07077	4.1
58.06586	0.9
60.04522	4.1
65.03924	1.4
67.04240	0.9
67.05151	0.8
67.05501	15.7
68.05016	1.7
69.07064	10.6
69.59347	0.4
70.06583	2.1
70.65705	0.4
70.98650	0.9
71.08627	2.0
72.04525	0.6
79.05489	12.9
80.05009	3.2
81.05786	2.5
81.07049	13.8
82.06578	9.3
83.04972	0.7
83.08614	5.8
84.08113	0.6
85.10156	1.1
86.06087	0.5
91.04916	0.9
91.05471	10.7
93.05764	0.6
93.07040	13.3
94.05972	1.0
94.06561	19.8
95.04975	0.9
95.06779	0.7
95.07346	10.3
95.08596	9.8
96.08125	6.0
97.06499	0.6
97.10166	3.4
98.06039	1.1
100.07596	0.9
105.04475	0.6
105.07024	7.4
107.07436	0.5
107.08594	5.8
108.08104	4.0
109.10143	3.7
110.09679	0.7
111.11691	1.6
117.06999	0.5
119.08574	6.9
121.08887	0.7
121.09303	0.6
121.10141	7.7
122.09666	2.6
123.11707	2.0
124.11234	0.6
133.10150	4.1
135.10477	0.9
135.11687	3.8
136.11218	1.0
137.13274	0.8
147.11691	1.6
149.13254	1.6
155.27449	0.5
161.13206	1.0
163.14769	0.6
183.77225	0.5
191.18015	0.6
198.42802	0.5
212.67567	0.5
218.51186	0.5
219.21152	0.6
233.22633	4.1
245.22643	4.7
250.25296	11.3
254.24902	1.1
262.25284	100.0
263.25671	4.0
272.25879	4.1
280.26331	10.5
338.30490	0.7
382.43378	0.5
453.42535	0.5
504.47803	2.2
506.71667	0.5
516.47601	5.4
517.47668	0.8
534.48779	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	534.4879
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.6
54.61320	0.3
55.05251	0.4
55.05510	7.8
56.04777	0.2
56.05035	4.0
57.07071	3.8
58.06591	0.4
60.04525	4.2
65.03927	1.1
67.04241	0.4
67.05503	14.6
68.05035	1.5
68.05832	0.3
69.06698	0.5
69.07066	9.4
70.06596	1.8
70.98650	0.3
70.98970	0.4
71.08636	2.2
72.04498	0.4
79.05489	12.5
80.05013	3.4
81.05801	1.7
81.07053	11.5
82.06577	8.6
82.07324	0.3
83.04971	0.5
83.08173	0.4
83.08617	4.3
84.08150	0.6
84.08929	0.3
85.10153	0.7
86.06071	0.6
91.05472	10.5
93.05801	0.6
93.07043	10.5
94.06566	18.3
95.04959	1.3
95.06886	0.4
95.07343	9.7
95.08604	9.7
96.07593	0.4
96.08134	4.5
96.08761	0.5
97.06506	0.6
97.08414	0.3
97.10155	3.2
98.06042	0.5
100.07539	0.4
105.04498	0.6
105.07028	6.5
107.07365	0.5
107.08588	5.3
108.08122	3.3
109.10164	4.1
110.09654	0.6
111.11726	0.8
117.07001	0.5
119.08578	5.8
121.08849	0.6
121.10141	6.1
122.09659	2.5
123.11700	1.5
123.69556	0.3
124.11223	0.5
125.13286	0.3
133.10127	3.7
134.09679	0.4
135.10529	0.4
135.11694	3.5
136.11198	0.9
137.09555	0.3
137.13220	0.5
141.12680	0.2
147.11623	1.5
149.13229	1.2
151.14766	0.8
161.13278	0.7
163.14799	0.7
175.14876	0.4
184.07274	0.3
191.17973	0.6
193.19524	0.6
201.90659	0.3
219.21045	0.7
233.22607	4.4
234.22134	0.3
240.43591	0.2
245.22667	3.9
250.25282	10.1
251.25824	0.4
254.24750	0.9
260.23743	0.6
262.25284	100.0
263.25775	3.9
272.22891	0.3
272.25845	5.0
280.26337	11.6
281.26486	0.4
282.24115	0.3
310.27515	0.3
401.63788	0.3
486.46686	0.4
504.47650	2.2
516.47772	6.3
517.48248	0.6
534.42444	0.3
534.48853	3.6
537.33752	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
59.91909	0.3
65.03918	0.4
67.05482	0.6
69.03400	1.1
70.62744	0.9
71.04977	0.7
79.01850	3.5
79.32233	0.3
81.03393	1.0
85.02883	1.1
91.05457	1.1
95.04966	0.5
97.02858	0.9
97.67286	0.3
105.07015	0.9
107.01283	0.8
107.04912	1.2
109.02871	1.1
109.06503	0.3
109.10143	0.5
119.04932	0.7
123.04468	0.7
123.08092	0.4
125.02364	1.8
127.03894	0.9
129.06946	0.4
133.06485	0.7
137.05983	4.7
143.03387	4.3
143.46272	0.4
147.04401	0.9
149.74443	0.3
151.03862	1.1
151.07520	3.2
153.01830	41.3
153.02951	3.4
154.02151	0.7
161.05975	0.9
163.03883	0.5
163.07500	1.3
165.05435	0.8
167.07004	1.4
171.02936	0.4
175.07559	0.8
177.01848	1.1
177.05399	0.6
177.09171	0.7
179.03448	0.6
179.07014	2.7
181.08556	1.1
189.05292	0.5
191.07063	0.8
192.07849	0.4
193.04939	0.5
193.08618	4.9
194.08769	0.4
195.10115	0.5
203.07089	0.5
204.07576	0.6
205.04921	1.3
205.08536	1.3
206.09441	1.7
207.10187	0.4
209.08058	1.2
215.07068	0.8
217.04951	1.7
217.08493	1.0
218.05580	0.6
219.02962	0.7
219.06479	1.7
220.07280	1.7
221.08057	7.9
221.11604	0.4
229.04958	2.1
230.05714	2.4
231.06464	1.2
232.07179	1.7
233.08084	38.8
234.05020	0.8
234.08835	20.5
235.05856	0.4
235.09360	1.7
243.02771	0.5
243.06540	1.0
244.07280	0.6
245.08086	16.4
246.08508	1.1
247.05981	1.8
247.09642	5.2
248.06766	4.0
249.07516	1.6
257.08139	1.7
258.08875	3.1
259.05994	1.4
259.09631	2.8
261.07553	3.7
263.09143	100.0
264.09518	4.5
266.07846	0.6
271.05966	0.4
271.09647	0.6
272.06732	0.9
273.07639	1.3
273.11212	4.0
274.08310	1.6
274.11429	0.4
275.09128	3.4
277.10693	2.6
285.07553	0.4
287.09073	8.5
288.80222	0.4
291.11942	0.4
293.10190	0.8
299.09204	1.1
301.10699	2.4
305.10306	2.0
311.09042	0.8
315.07248	0.5
317.10223	5.8
319.11703	0.5
329.10193	4.8
347.11270	7.3
348.11819	0.9
365.12277	15.0
366.12579	0.5
383.13297	3.6
415.10220	16.1
416.10510	1.2
517.13562	3.5
535.14453	77.6
536.14691	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	535.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.4
55.01863	0.5
57.03417	0.6
59.04982	0.7
67.05468	0.4
69.03411	1.2
69.30103	2.9
78.48957	0.4
79.01838	2.2
79.05448	0.5
79.19769	0.4
81.03394	1.0
81.07040	0.7
83.01357	0.5
85.02876	1.7
92.99804	0.4
93.07009	0.4
95.04939	0.4
97.02868	1.5
105.07084	0.4
107.01300	0.8
109.02865	1.2
109.10128	0.4
113.05940	0.4
119.08547	0.6
123.71658	0.4
125.02349	1.0
127.03940	0.6
131.08484	0.5
137.05937	0.6
143.03365	2.9
151.03920	0.8
153.01828	34.7
153.02916	2.0
154.02179	0.6
159.91483	0.4
165.01804	1.0
167.03403	0.5
174.06715	0.5
179.07031	0.8
181.04912	2.3
183.02844	0.4
189.09132	1.0
190.06314	0.5
191.07008	0.4
195.06444	0.4
202.06247	0.5
205.04965	1.7
205.08604	0.6
206.05762	2.8
217.05057	1.9
217.08583	8.3
218.05725	6.7
218.08957	0.5
219.06442	0.9
219.10025	0.5
220.07393	1.9
221.08083	28.1
222.08405	1.4
229.04964	0.7
229.08495	0.8
230.05785	1.9
231.06538	0.7
231.10153	2.3
233.08083	100.0
234.08652	8.4
235.09395	0.5
237.03961	0.9
243.06686	1.0
243.10004	0.4
244.07236	2.0
245.08084	8.4
245.11783	1.5
247.06017	1.5
247.09750	0.9
248.06810	1.4
255.05019	1.0
255.10196	3.4
256.07297	0.7
257.08051	3.6
258.06561	0.4
258.08783	2.3
259.06088	1.6
259.09674	7.5
261.07584	2.4
263.09149	56.6
264.09470	2.7
267.06577	0.7
268.07306	0.6
271.09647	4.6
273.11212	10.9
274.11740	0.5
283.09589	3.5
285.07663	1.1
287.05737	0.3
287.09103	8.6
288.09494	0.4
289.11063	0.5
296.06677	0.4
297.06326	0.5
299.09137	18.8
300.09564	0.7
301.10690	2.1
311.09100	10.2
312.09232	0.5
313.07074	0.7
317.10178	25.5
318.10657	1.3
329.10172	17.4
330.10541	1.0
347.11240	7.8
348.11407	0.5
365.12204	2.8
366.12674	0.5
383.13376	0.7
457.29962	0.5
499.12103	0.5
517.13379	1.8
535.14429	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.4
55.01889	0.3
57.03432	0.4
57.82066	0.4
59.05022	0.4
65.03941	0.4
67.05489	0.8
68.99800	0.5
69.03420	0.8
70.43913	0.3
70.66905	0.3
71.04999	0.5
75.40640	0.3
79.01857	5.8
79.05496	0.3
79.25488	0.4
81.03418	1.4
81.07051	0.6
83.05008	0.6
85.02906	1.5
93.07061	0.6
95.04976	0.6
97.02924	1.7
103.03945	0.6
105.07070	0.6
107.01317	1.5
109.02881	1.4
109.06549	0.6
112.10945	0.3
113.05975	0.4
118.98618	0.3
123.04491	0.5
125.02357	3.2
127.03902	0.8
133.06511	0.4
133.10205	0.4
137.05971	1.2
139.50072	0.3
140.42853	0.3
143.03403	5.9
145.06459	0.3
147.04478	0.7
147.08055	0.5
151.03967	0.8
153.01834	76.9
153.02916	5.1
154.02170	1.7
161.05910	0.6
163.03966	0.5
165.01906	1.3
165.05492	0.7
165.09111	0.5
172.00688	0.4
175.03932	0.5
175.07466	0.5
177.05461	1.2
177.09059	0.9
179.07050	0.4
187.03969	0.6
191.07106	0.5
193.08594	2.3
203.07088	0.6
205.05002	0.6
205.08591	2.2
206.09363	2.6
207.04616	0.4
209.08080	1.2
215.07034	0.7
217.04982	1.7
217.08614	1.2
218.05653	2.0
219.06525	2.7
220.07306	1.7
221.08046	3.5
230.05719	2.0
231.06496	0.9
231.10083	0.5
232.07376	0.8
233.08087	39.6
234.08858	21.0
235.09505	2.0
243.02867	0.6
243.06554	0.7
244.07256	0.7
245.08096	20.2
246.08569	0.6
247.06003	1.4
247.09676	6.6
248.06802	3.5
255.05025	0.7
255.10008	0.8
257.08047	1.8
258.08923	2.1
259.06082	1.6
259.09698	3.0
260.06937	0.4
261.03967	0.5
261.07608	2.3
263.09149	100.0
264.09451	4.8
266.07782	0.4
271.09689	0.5
273.07666	1.3
273.11240	4.5
275.09152	2.9
283.07089	0.4
283.09714	2.5
285.07620	0.8
287.09125	19.5
288.09293	0.6
293.10214	1.7
299.09091	0.7
301.10651	2.7
305.10223	0.9
311.09204	6.0
317.10202	4.3
329.10168	9.9
347.11249	10.4
365.12323	35.0
366.12598	1.5
373.12827	1.7
383.13306	6.5
499.12457	2.3
517.13348	6.2
518.13727	0.6
535.14404	16.7
536.14752	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01608	0.7
50.54192	0.5
51.02381	1.2
53.03958	0.8
53.52785	0.5
55.01884	1.4
63.46072	0.6
67.05506	1.7
67.46953	0.5
69.03429	3.0
69.07047	1.0
69.29960	4.1
71.04994	0.8
73.04763	0.5
76.64860	0.5
78.04694	0.6
79.01857	7.1
79.05491	2.6
81.03409	1.1
81.07058	2.2
83.04968	1.2
85.02902	2.8
91.05483	2.2
93.07041	1.9
95.04976	1.8
95.08613	0.8
97.02876	3.7
97.06492	0.7
98.23288	1.1
103.05444	1.7
105.07026	7.1
107.01333	1.6
107.04942	2.4
107.08605	2.1
109.02872	2.7
109.06524	1.0
109.10180	1.1
115.05444	1.3
119.04984	0.8
119.08597	1.7
121.02885	0.9
121.10147	2.3
123.08076	0.9
124.05210	15.0
125.02354	3.8
127.03923	1.5
131.04941	0.7
131.08594	1.0
133.06508	4.5
133.10135	1.5
135.07994	0.9
135.11664	0.7
137.05963	5.0
137.09579	0.8
139.07535	28.2
140.07921	0.9
143.03403	6.3
145.04942	0.9
145.06506	1.0
145.10071	1.2
147.04431	0.9
147.08058	0.7
147.11710	1.1
149.02296	1.0
149.05989	0.7
149.09592	1.1
151.03918	7.6
151.05037	1.1
151.07552	1.6
153.01826	100.0
153.02907	6.2
154.02188	2.4
157.06520	0.9
161.05995	4.5
161.09563	1.0
163.03851	0.7
163.07512	2.1
165.05461	7.7
165.09128	8.3
167.03398	0.8
167.05794	0.8
167.07027	3.2
169.05074	0.6
173.09599	0.6
174.06767	2.2
175.07564	0.9
177.05461	1.1
178.05037	1.1
179.10669	0.8
181.05003	2.6
181.08615	5.0
187.14771	0.7
189.09105	4.9
191.07005	1.3
193.08611	2.5
197.05917	0.9
201.05319	0.8
202.06259	1.3
206.04485	1.5
207.04744	1.4
207.10144	1.1
209.08078	27.6
213.11232	0.7
215.06924	0.7
216.07877	1.1
217.08591	26.6
218.05762	1.5
219.06567	1.1
220.07297	1.3
221.08046	5.5
223.06003	0.7
229.04959	3.2
229.08572	0.7
230.05739	7.7
231.06363	0.7
231.10175	3.7
233.08078	29.3
234.08768	5.4
243.06554	2.4
244.07248	2.0
245.08095	98.7
246.08417	4.7
247.06003	1.1
247.09731	1.4
248.06842	2.0
255.10213	0.7
257.08081	1.4
258.08951	0.9
259.06927	0.8
259.09656	7.6
263.09146	78.0
264.09525	3.0
273.11209	20.5
274.11786	0.7
283.09641	1.5
287.09116	15.7
288.09540	0.5
299.06131	1.1
299.09155	2.8
311.09067	2.9
315.07101	4.9
317.10217	7.6
318.10312	0.6
327.04974	1.0
327.15854	1.6
329.10202	7.7
331.04767	0.9
337.23825	0.6
347.11255	5.4
355.15402	4.9
365.12289	11.6
366.12238	0.7
373.16376	1.1
383.13376	10.4
384.13684	1.0
397.09061	0.7
415.10153	5.2
431.18857	10.4
535.13208	2.7
535.21857	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	535.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01608	0.7
50.54192	0.5
51.02381	1.2
53.03958	0.8
53.52785	0.5
55.01884	1.4
63.46072	0.6
67.05506	1.7
67.46953	0.5
69.03429	3.0
69.07047	1.0
69.29960	4.1
71.04994	0.8
73.04763	0.5
76.64860	0.5
78.04694	0.6
79.01857	7.1
79.05491	2.6
81.03409	1.1
81.07058	2.2
83.04968	1.2
85.02902	2.8
91.05483	2.2
93.07041	1.9
95.04976	1.8
95.08613	0.8
97.02876	3.7
97.06492	0.7
98.23288	1.1
103.05444	1.7
105.07026	7.1
107.01333	1.6
107.04942	2.4
107.08605	2.1
109.02872	2.7
109.06524	1.0
109.10180	1.1
115.05444	1.3
119.04984	0.8
119.08597	1.7
121.02885	0.9
121.10147	2.3
123.08076	0.9
124.05210	15.0
125.02354	3.8
127.03923	1.5
131.04941	0.7
131.08594	1.0
133.06508	4.5
133.10135	1.5
135.07994	0.9
135.11664	0.7
137.05963	5.0
137.09579	0.8
139.07535	28.2
140.07921	0.9
143.03403	6.3
145.04942	0.9
145.06506	1.0
145.10071	1.2
147.04431	0.9
147.08058	0.7
147.11710	1.1
149.02296	1.0
149.05989	0.7
149.09592	1.1
151.03918	7.6
151.05037	1.1
151.07552	1.6
153.01826	100.0
153.02907	6.2
154.02188	2.4
157.06520	0.9
161.05995	4.5
161.09563	1.0
163.03851	0.7
163.07512	2.1
165.05461	7.7
165.09128	8.3
167.03398	0.8
167.05794	0.8
167.07027	3.2
169.05074	0.6
173.09599	0.6
174.06767	2.2
175.07564	0.9
177.05461	1.1
178.05037	1.1
179.10669	0.8
181.05003	2.6
181.08615	5.0
187.14771	0.7
189.09105	4.9
191.07005	1.3
193.08611	2.5
197.05917	0.9
201.05319	0.8
202.06259	1.3
206.04485	1.5
207.04744	1.4
207.10144	1.1
209.08078	27.6
213.11232	0.7
215.06924	0.7
216.07877	1.1
217.08591	26.6
218.05762	1.5
219.06567	1.1
220.07297	1.3
221.08046	5.5
223.06003	0.7
229.04959	3.2
229.08572	0.7
230.05739	7.7
231.06363	0.7
231.10175	3.7
233.08078	29.3
234.08768	5.4
243.06554	2.4
244.07248	2.0
245.08095	98.7
246.08417	4.7
247.06003	1.1
247.09731	1.4
248.06842	2.0
255.10213	0.7
257.08081	1.4
258.08951	0.9
259.06927	0.8
259.09656	7.6
263.09146	78.0
264.09525	3.0
273.11209	20.5
274.11786	0.7
283.09641	1.5
287.09116	15.7
288.09540	0.5
299.06131	1.1
299.09155	2.8
311.09067	2.9
315.07101	4.9
317.10217	7.6
318.10312	0.6
327.04974	1.0
327.15854	1.6
329.10202	7.7
331.04767	0.9
337.23825	0.6
347.11255	5.4
355.15402	4.9
365.12289	11.6
366.12238	0.7
373.16376	1.1
383.13376	10.4
384.13684	1.0
397.09061	0.7
415.10153	5.2
431.18857	10.4
535.13208	2.7
535.21857	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	535.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.1
55.01870	6.8
55.87188	2.4
57.03432	8.4
57.07074	16.1
57.52034	2.7
58.96688	2.4
61.02923	5.5
69.03426	17.9
69.07056	3.3
71.01341	2.8
71.32236	4.4
73.02901	2.6
75.86980	2.4
79.05477	2.6
79.66845	2.4
81.03413	14.9
81.07050	4.7
85.02902	43.4
85.06543	14.3
87.04471	2.8
91.05461	6.1
93.07047	2.8
95.04993	3.6
97.02892	15.6
99.04469	3.7
103.03936	5.0
103.05486	4.9
105.07049	6.9
107.04996	8.0
109.02872	13.0
109.06535	6.5
119.08588	2.8
121.06501	3.9
123.04453	12.0
127.03940	11.9
131.04913	3.4
131.08551	4.3
133.06512	9.3
135.04431	7.7
135.05496	5.2
135.08052	3.1
137.06003	14.9
139.03871	7.1
143.03412	5.6
145.02815	3.8
145.05014	4.1
145.06480	4.7
147.04408	32.5
147.08073	3.3
149.05997	3.1
151.03911	12.3
151.07585	3.6
151.40932	3.1
153.01801	13.7
154.02115	3.8
155.03476	4.3
159.08159	4.5
161.05948	14.7
161.09583	3.8
163.03928	11.0
163.07515	10.2
165.05527	9.7
165.09094	4.7
167.03410	2.9
167.05685	5.6
167.07030	37.0
167.08334	4.2
171.08101	4.6
173.06052	3.1
175.03925	16.6
175.07489	3.6
177.05479	13.7
177.09206	2.8
179.03401	17.4
179.06984	3.4
181.05026	3.5
181.08598	5.6
187.03967	3.1
187.07498	3.3
189.05487	8.6
189.09123	16.5
191.07030	5.1
193.04959	16.9
193.08601	7.4
195.10056	2.9
199.07495	4.2
201.05450	4.7
201.09082	2.9
203.07101	3.6
203.10687	5.0
205.04916	5.7
205.08549	19.5
207.06487	3.2
207.10225	4.0
209.08037	6.9
211.07776	4.5
211.09656	21.3
215.03481	4.0
217.05016	8.0
217.08565	20.6
221.04439	7.3
221.08031	2.9
223.09639	51.1
223.11766	4.0
227.10948	3.4
229.08693	6.7
231.10181	11.1
235.05962	6.1
235.09647	100.0
236.09988	7.6
243.10178	3.5
244.09331	2.8
247.06244	3.2
247.09627	10.3
249.11263	11.5
253.10715	89.6
254.11037	3.9
259.09732	10.3
271.09769	22.0
273.11169	4.8
277.07596	5.1
277.10703	97.9
278.11224	3.9
283.09592	10.5
289.10703	59.9
290.11075	3.7
291.12366	3.1
297.11102	3.4
299.06277	6.7
301.10690	37.8
307.11789	17.5
319.11691	41.8
331.11758	7.6
337.09909	3.0
337.12927	32.4
343.11722	8.3
355.14142	24.2
367.13824	6.2
373.14963	9.5
385.12878	5.5
403.13718	4.2
445.14670	3.5
535.17432	6.6
536.67542	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	535.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.1
52.18621	1.0
52.84935	1.0
53.03939	1.8
61.02916	1.2
63.13553	1.1
65.03963	1.6
66.42760	1.0
67.05491	2.5
69.03425	4.4
69.07075	1.7
69.27274	3.7
69.27690	4.6
71.04987	1.9
79.01854	7.4
79.05489	4.7
81.03417	2.8
81.07076	5.4
83.04981	1.9
85.02906	4.9
85.06519	1.4
87.47231	0.9
91.05496	3.4
93.07047	4.9
94.04194	1.4
95.04968	2.9
95.08615	4.1
97.02914	4.4
99.04436	1.4
99.48099	1.2
101.06069	1.0
103.05457	1.9
105.07021	9.5
107.01303	2.4
107.04959	4.3
107.08601	3.7
109.02894	3.0
109.06551	1.5
109.10161	2.6
111.08173	1.0
115.05441	1.4
117.07110	1.1
118.06476	1.2
119.04929	1.9
119.08596	3.0
121.02899	1.7
121.10167	3.0
122.03649	1.6
123.04417	1.2
123.08080	1.4
124.05206	28.6
124.06071	2.2
125.02350	3.3
127.03922	3.0
128.52252	1.1
129.07018	1.5
131.04932	1.3
131.08607	2.0
133.06488	7.7
133.10144	2.5
135.11740	1.1
137.05954	13.0
137.09581	2.1
139.07538	60.3
140.07904	1.4
141.06879	1.3
143.03423	7.6
145.10100	2.8
147.06456	1.1
147.08049	1.2
149.09659	1.8
151.03925	15.1
151.07498	5.4
153.01828	100.0
153.02917	6.9
154.02164	2.2
157.06509	3.1
159.08113	1.4
161.05969	3.1
161.09682	1.7
163.03911	2.0
163.07594	1.9
163.11099	1.6
165.05482	18.0
165.06779	1.7
165.09106	17.4
165.10390	1.3
167.05748	1.5
167.06969	6.3
174.06738	1.3
175.07558	1.8
177.05496	2.0
181.05009	6.2
181.08572	10.7
189.09084	6.3
191.10788	1.5
193.08620	2.4
202.06290	1.6
203.10605	1.2
206.04443	1.6
209.08086	51.5
210.08438	2.1
213.11186	1.8
215.07077	1.7
216.07976	1.4
217.08607	25.1
219.06552	1.5
220.07291	2.3
221.08119	5.4
227.06978	2.4
229.05020	3.1
229.08580	2.2
230.05707	8.9
231.10202	4.2
233.08076	30.2
234.08850	6.4
243.06517	2.1
244.07283	3.5
245.08080	98.5
246.08461	4.6
257.08066	2.7
258.08759	1.5
259.09625	9.4
263.09137	87.2
264.09528	4.3
273.11203	41.1
274.11557	1.8
283.09665	1.6
287.05783	1.4
287.09042	16.2
298.12177	1.6
299.06158	2.2
299.09195	3.5
299.90540	1.2
301.10843	1.2
311.09097	2.8
315.07184	3.3
317.10181	9.7
327.15948	3.2
329.10300	6.6
347.11227	5.8
355.15265	9.4
365.12320	12.1
366.12732	1.4
373.16467	1.9
383.13309	11.4
397.09244	1.5
415.05020	1.2
415.10251	7.1
431.18906	19.0
535.14478	3.8
535.21442	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.1
52.18621	1.0
52.84935	1.0
53.03939	1.8
61.02916	1.2
63.13553	1.1
65.03963	1.6
66.42760	1.0
67.05491	2.5
69.03425	4.4
69.07075	1.7
69.27274	3.7
69.27690	4.6
71.04987	1.9
79.01854	7.4
79.05489	4.7
81.03417	2.8
81.07076	5.4
83.04981	1.9
85.02906	4.9
85.06519	1.4
87.47231	0.9
91.05496	3.4
93.07047	4.9
94.04194	1.4
95.04968	2.9
95.08615	4.1
97.02914	4.4
99.04436	1.4
99.48099	1.2
101.06069	1.0
103.05457	1.9
105.07021	9.5
107.01303	2.4
107.04959	4.3
107.08601	3.7
109.02894	3.0
109.06551	1.5
109.10161	2.6
111.08173	1.0
115.05441	1.4
117.07110	1.1
118.06476	1.2
119.04929	1.9
119.08596	3.0
121.02899	1.7
121.10167	3.0
122.03649	1.6
123.04417	1.2
123.08080	1.4
124.05206	28.6
124.06071	2.2
125.02350	3.3
127.03922	3.0
128.52252	1.1
129.07018	1.5
131.04932	1.3
131.08607	2.0
133.06488	7.7
133.10144	2.5
135.11740	1.1
137.05954	13.0
137.09581	2.1
139.07538	60.3
140.07904	1.4
141.06879	1.3
143.03423	7.6
145.10100	2.8
147.06456	1.1
147.08049	1.2
149.09659	1.8
151.03925	15.1
151.07498	5.4
153.01828	100.0
153.02917	6.9
154.02164	2.2
157.06509	3.1
159.08113	1.4
161.05969	3.1
161.09682	1.7
163.03911	2.0
163.07594	1.9
163.11099	1.6
165.05482	18.0
165.06779	1.7
165.09106	17.4
165.10390	1.3
167.05748	1.5
167.06969	6.3
174.06738	1.3
175.07558	1.8
177.05496	2.0
181.05009	6.2
181.08572	10.7
189.09084	6.3
191.10788	1.5
193.08620	2.4
202.06290	1.6
203.10605	1.2
206.04443	1.6
209.08086	51.5
210.08438	2.1
213.11186	1.8
215.07077	1.7
216.07976	1.4
217.08607	25.1
219.06552	1.5
220.07291	2.3
221.08119	5.4
227.06978	2.4
229.05020	3.1
229.08580	2.2
230.05707	8.9
231.10202	4.2
233.08076	30.2
234.08850	6.4
243.06517	2.1
244.07283	3.5
245.08080	98.5
246.08461	4.6
257.08066	2.7
258.08759	1.5
259.09625	9.4
263.09137	87.2
264.09528	4.3
273.11203	41.1
274.11557	1.8
283.09665	1.6
287.05783	1.4
287.09042	16.2
298.12177	1.6
299.06158	2.2
299.09195	3.5
299.90540	1.2
301.10843	1.2
311.09097	2.8
315.07184	3.3
317.10181	9.7
327.15948	3.2
329.10300	6.6
347.11227	5.8
355.15265	9.4
365.12320	12.1
366.12732	1.4
373.16467	1.9
383.13309	11.4
397.09244	1.5
415.05020	1.2
415.10251	7.1
431.18906	19.0
535.14478	3.8
535.21442	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20698	0.2
59.04968	0.3
69.10487	2.8
71.65953	0.3
73.04697	0.6
77.34917	0.3
77.80882	0.3
79.05462	0.4
81.03379	0.8
81.07002	0.4
82.39223	0.3
85.02866	0.5
89.03884	0.5
91.05736	1.0
93.06979	0.4
95.08559	0.4
99.24924	0.3
105.07018	0.6
107.04909	0.4
107.08511	0.3
109.02850	0.4
110.82771	0.4
110.83413	0.4
112.09445	0.3
112.90327	0.3
114.05331	0.3
119.08548	0.6
131.04857	0.4
133.07658	0.3
135.04338	0.5
135.07887	0.3
137.05956	1.5
143.29419	0.3
145.02827	1.7
145.10089	0.4
149.05893	0.6
151.03903	0.4
153.01796	0.4
161.06036	0.3
163.03819	0.6
167.05487	1.1
167.07018	1.2
177.05487	2.4
185.04115	0.4
193.04829	0.4
221.08025	0.8
283.03012	0.5
299.06052	2.6
321.09735	0.3
344.97571	0.5
373.19815	59.5
374.20172	4.5
391.20566	0.4
414.22424	0.9
415.03629	0.5
481.29550	0.4
535.18591	3.9
535.25092	100.0
536.18530	0.5
536.25452	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	535.2877
Annotation	Withangulatin C
Peak:m/z	Relative Intensity
55.05511	0.9
57.03430	0.6
65.03928	0.3
65.42410	0.2
66.86077	0.2
67.05495	1.7
69.03442	0.4
69.07070	0.6
69.49799	0.6
69.50210	0.8
71.04972	0.5
73.04761	0.3
79.05491	1.8
81.03416	1.8
81.07053	2.6
83.04989	0.7
83.08627	0.8
85.02898	2.0
85.06541	0.3
91.05419	1.7
93.07037	1.4
95.04983	1.3
95.08598	1.0
95.89585	0.2
97.02901	0.2
97.06559	0.5
97.10155	0.2
98.02164	0.2
98.23274	0.4
99.08104	0.2
103.05441	0.2
105.07018	1.4
107.04921	0.4
107.08578	1.2
109.06537	0.3
109.10144	0.4
117.06992	0.2
119.08602	1.5
121.06507	0.4
121.10162	0.9
123.08041	0.3
129.07034	0.2
131.08571	0.7
131.41742	0.2
133.06499	0.2
133.10104	1.1
135.11745	0.3
137.05978	0.5
145.10162	0.6
147.11668	0.7
147.59933	0.2
149.09554	0.2
151.03851	0.5
151.07578	0.3
157.10143	0.7
159.11626	0.3
161.06029	0.2
165.12790	0.4
167.05574	0.3
169.10158	0.3
173.13298	0.2
175.11221	0.5
175.14790	0.3
177.09113	0.2
181.04851	0.2
184.07294	0.4
187.14796	0.3
189.09218	0.2
193.12241	0.8
203.14400	0.2
211.13274	0.3
231.14043	0.2
233.08099	0.4
245.08156	0.3
251.12524	9.2
252.12898	0.3
263.09207	0.4
285.16965	0.7
299.06122	0.9
299.09274	0.3
307.15146	8.4
308.15509	0.4
309.11243	0.3
535.28748	100.0
536.29114	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	536.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.3
55.01858	2.4
57.03433	4.1
60.04523	0.9
61.02922	5.7
64.58295	0.7
69.03421	12.2
70.52240	1.1
70.52571	1.2
71.04971	1.7
73.02895	2.2
73.04745	2.5
76.63641	0.6
79.05499	3.8
81.03410	4.7
83.04962	0.7
85.02898	63.1
86.03207	0.7
86.45884	0.7
87.04465	0.8
91.03948	3.6
91.05782	2.2
95.04965	0.9
97.02886	18.3
98.06018	0.7
99.04445	3.1
103.05446	2.0
105.07002	6.0
107.04945	45.9
108.05256	0.8
109.02843	5.3
109.21600	0.7
115.05477	3.2
117.06989	1.6
120.05671	0.7
121.06481	0.9
127.03896	15.6
135.08040	12.1
137.05957	1.7
138.43762	0.7
139.03940	0.7
144.06537	2.9
145.04955	28.6
145.07558	0.8
149.04643	0.7
162.07646	1.5
163.06023	7.7
163.07506	46.1
164.07964	1.1
167.05515	3.7
167.07039	3.7
180.07695	1.1
195.10150	100.0
196.10486	3.6
204.11105	0.7
207.10167	1.0
208.39996	0.6
239.09450	0.6
283.03061	1.1
299.06192	4.5
344.97580	1.1
415.04160	1.2
432.43921	0.7
435.68121	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	1.7
55.01868	1.3
67.05496	2.4
71.04989	9.7
71.31536	1.3
71.31883	1.8
73.04763	4.1
74.23543	1.0
79.05491	3.7
81.07070	3.7
91.05461	5.8
91.05863	3.8
93.07040	3.0
95.04963	2.0
95.08605	3.5
95.94913	1.0
97.06546	1.3
103.05460	31.1
105.07038	9.9
107.04958	11.0
107.08598	2.5
109.06488	1.6
109.10156	1.1
115.05453	6.6
116.06237	1.4
117.07024	4.6
119.04927	2.4
119.08608	1.9
121.06522	1.3
121.10175	2.2
129.61441	1.0
130.04167	2.4
131.04921	55.5
131.08585	2.3
132.05247	1.9
133.06444	6.7
133.10149	1.3
135.08075	5.4
135.11702	1.9
137.05966	25.6
138.06320	1.6
141.06990	3.8
142.53690	1.2
143.06036	1.2
145.06494	4.3
145.10175	1.5
146.03607	1.6
147.04416	4.9
147.08049	3.5
148.08813	5.2
149.04646	2.0
149.05988	3.7
151.03922	3.4
151.07562	2.9
158.07262	2.9
159.08008	1.5
161.05968	35.6
161.09595	3.9
162.06705	5.8
163.07527	29.8
164.07916	1.6
165.06955	1.6
167.05573	7.2
167.06995	2.1
169.06497	4.8
170.07239	1.5
174.06761	3.4
175.07533	10.1
177.05336	1.4
179.07047	3.4
181.08730	1.3
190.07822	2.1
194.07312	4.6
199.15601	1.3
201.09096	15.8
203.08549	1.5
205.06522	1.7
205.10158	3.6
207.08089	1.5
209.09595	1.3
218.07245	2.9
222.06776	4.6
224.08260	1.1
225.04199	1.6
225.08937	1.2
233.06024	1.8
233.09602	10.2
234.10257	1.3
235.07477	1.7
236.08139	1.6
237.09201	5.1
245.11734	14.2
246.11914	1.6
249.14670	1.1
250.06303	3.4
250.09773	5.5
251.06792	1.6
251.10631	1.6
253.08443	1.8
261.09106	8.2
262.09900	1.9
264.07907	1.6
265.08627	15.6
265.12262	5.5
266.09058	1.2
266.99707	2.1
278.09433	3.0
279.09988	2.0
282.08859	2.3
283.02899	1.7
289.14328	100.0
290.14771	5.4
293.11713	28.4
294.12286	3.5
297.11230	34.3
298.11603	2.1
299.06168	13.9
300.06339	2.3
307.13388	2.2
310.12000	1.5
311.12805	4.2
325.07846	1.3
325.14334	30.8
325.17944	2.1
326.14700	2.3
343.15363	3.0
344.97626	2.5
367.15994	1.3
381.16986	13.4
395.18332	1.3
413.19537	13.0
414.19818	1.6
415.03452	2.4
536.32623	3.8
537.29443	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	1.0
57.06828	0.5
57.07079	6.4
65.03942	0.5
67.05501	2.3
69.07057	1.3
69.09875	1.9
69.10303	2.2
73.04752	1.2
79.05478	1.5
81.07037	2.0
82.38757	0.5
83.08611	0.6
91.05460	26.5
92.05804	0.8
93.07058	4.0
95.08595	1.8
97.06524	1.2
97.10182	0.5
105.07027	10.0
106.06561	0.9
107.04938	0.8
107.08573	3.5
109.10149	1.2
117.07016	0.6
119.07740	0.9
119.08581	14.0
121.06503	4.1
121.10139	29.1
122.10499	0.8
128.94279	0.5
129.06914	0.5
131.08563	1.3
132.09277	0.8
133.06487	1.7
133.10124	14.6
135.08073	0.8
142.07771	1.2
145.10104	2.1
147.08032	1.6
147.11674	21.6
148.12082	0.6
149.04480	0.6
149.09525	0.6
149.13278	0.5
151.11162	1.2
153.15488	0.5
157.10114	1.9
160.08850	1.5
163.11201	1.1
167.05527	3.3
175.11174	15.5
176.11505	0.8
177.12759	1.1
181.10117	1.4
198.12779	26.5
199.13219	1.1
203.55936	0.4
225.04185	0.5
265.16153	0.5
266.99991	0.7
280.16196	0.6
281.05252	0.5
283.16910	100.0
284.17197	4.5
299.06174	5.8
339.23166	55.4
340.23489	3.6
344.97336	1.0
415.03558	0.8
536.35187	0.6
537.37555	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	5.1
55.20415	3.0
57.07063	4.0
67.05495	7.3
68.17665	3.3
69.07070	3.9
69.72654	12.0
69.73064	7.0
73.04755	29.4
79.05477	6.4
81.07053	14.9
83.04974	4.0
83.08636	4.6
91.05833	43.5
93.07050	11.4
95.08586	21.3
97.10226	3.4
105.07013	18.8
107.08598	26.4
109.10173	10.7
111.04400	3.2
119.08577	14.8
121.06522	3.9
121.10166	17.9
123.08086	5.8
123.11733	9.9
129.39024	3.8
131.08580	10.8
133.10146	16.6
135.08028	4.5
135.11661	14.0
137.13278	10.9
143.08603	6.0
145.10118	17.8
147.11693	9.3
149.04494	9.8
149.09615	5.9
149.13246	10.7
151.07526	4.1
157.10112	5.2
159.11671	11.4
161.13220	11.9
163.07578	4.0
163.14804	11.1
167.05557	49.0
168.07246	4.2
171.11728	7.2
173.13318	11.9
175.14816	9.2
177.16443	4.8
185.13245	12.9
187.14879	11.5
189.16405	6.6
199.14821	6.6
201.16429	8.3
203.14249	5.0
205.15891	4.2
219.13559	4.5
219.17325	4.0
223.06546	4.3
223.79475	3.9
225.04268	11.9
227.17982	4.6
239.09535	10.8
266.99847	21.6
267.67841	3.7
277.86795	3.5
281.05020	6.8
283.03073	19.2
299.06161	100.0
300.06241	13.6
343.23065	3.3
344.97565	22.6
351.26779	8.1
359.02692	9.0
369.27667	4.3
381.31766	3.6
391.29919	7.9
409.30963	17.9
413.30460	10.3
415.03757	16.9
427.32239	7.0
437.30530	14.1
448.98895	3.9
455.31744	33.3
456.32043	6.1
473.32645	34.4
501.32257	5.5
503.11084	3.5
536.28473	12.3
537.29156	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	536.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	3.3
66.05206	1.1
67.05487	3.5
69.07076	3.9
71.33118	2.0
73.04749	8.2
79.05485	3.2
80.74294	1.1
81.07053	15.2
83.08627	2.1
85.06575	1.1
86.09700	1.8
91.05850	13.9
93.07035	7.7
95.08595	12.0
97.06516	1.7
97.10183	2.0
99.08066	2.0
105.07029	9.4
107.08591	15.8
109.06513	4.8
109.10145	6.3
111.08051	2.7
119.08572	14.8
121.06522	5.3
121.10139	9.8
123.08079	2.5
123.11708	2.0
131.08563	5.7
133.10126	6.1
135.08090	2.9
135.11673	3.7
137.09537	1.4
145.10101	8.1
147.11670	28.0
148.12018	1.2
149.04474	2.2
149.09596	3.9
149.13214	1.2
159.08044	1.2
159.11681	4.4
161.13243	5.0
163.11160	1.8
163.14818	5.3
167.05554	13.9
171.11719	1.7
173.13242	3.1
175.14819	2.5
177.12733	5.9
177.16359	21.5
184.07259	3.4
187.14801	32.4
188.15091	1.2
189.16321	1.6
191.14333	3.6
205.15866	100.0
206.16203	4.5
215.14288	2.3
223.06264	1.6
223.16928	12.0
224.17171	1.3
225.04272	3.9
227.02292	1.5
233.15335	15.1
239.09666	2.2
251.16406	29.3
266.99869	5.0
269.17438	30.3
283.02951	5.6
299.06146	25.6
300.06064	3.0
308.67593	1.2
322.07681	1.3
344.97549	5.8
359.03140	1.8
415.03564	4.8
483.31100	1.6
501.32388	2.3
536.28674	4.6
537.28479	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	536.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	11.0
57.07084	4.2
64.53794	3.8
67.05495	9.9
69.07080	13.5
70.41191	7.0
70.41522	8.0
71.04965	3.5
73.04768	38.0
79.05497	7.8
81.07046	27.3
83.08639	7.4
83.95052	4.1
91.05843	52.2
93.07048	18.6
95.08630	29.1
105.07024	27.1
107.08590	36.6
109.10155	18.1
117.07030	6.2
119.08547	22.5
121.06525	6.3
121.10139	25.7
123.11737	9.3
129.06973	4.4
131.04886	4.5
131.08592	19.4
133.10104	18.8
135.08093	6.8
135.11667	21.0
137.05862	4.5
137.13292	11.1
143.08559	13.2
145.10135	31.2
147.11700	13.2
149.04506	12.4
149.09608	8.9
149.13264	13.3
151.03917	6.4
151.14928	3.8
153.09177	5.0
157.10167	13.4
159.11707	13.9
161.13254	15.3
163.07567	6.9
163.14836	12.1
167.05559	55.0
169.10135	6.0
171.11708	14.7
173.13286	10.9
175.14851	7.4
183.11758	10.9
184.07338	6.0
185.13243	46.6
187.14778	27.2
189.12802	5.2
189.16380	13.7
191.14328	8.3
197.13240	9.3
199.14775	22.5
201.16385	8.1
203.14282	4.9
205.15912	8.7
209.13264	4.4
213.16377	8.3
219.17458	9.5
225.04332	16.6
231.13852	7.1
239.09497	8.7
266.99960	10.3
273.75500	4.7
279.20901	4.4
283.02954	19.0
299.06183	100.0
300.06256	16.5
344.97513	24.7
351.26559	8.2
359.02747	7.3
369.27829	6.0
391.29807	25.6
409.30981	48.0
410.31384	5.6
413.30441	20.2
415.03510	16.1
419.29453	8.3
427.32043	16.7
437.30505	26.7
455.31610	42.8
473.32675	57.0
501.31821	5.3
503.10455	6.2
536.28503	8.1
537.28442	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	536.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01750	4.2
53.40955	3.6
54.34858	3.5
55.01854	5.2
55.05499	20.0
67.05513	26.5
69.07055	16.1
71.31697	6.8
73.04763	30.9
79.05492	20.6
81.07063	36.9
83.04982	10.4
83.08621	14.0
85.06548	6.0
91.05860	50.4
93.07036	41.7
95.04954	6.8
95.08604	40.5
96.96533	4.0
97.10120	4.4
103.05460	4.5
104.10742	6.0
105.07034	63.9
107.04990	7.7
107.08581	57.6
109.06538	5.1
109.10167	24.5
111.08109	5.8
117.07033	9.3
119.08577	67.4
121.06508	11.3
121.10137	36.7
123.04417	5.8
123.08111	9.1
123.11723	7.0
124.99992	6.0
127.51071	4.9
129.06923	6.5
129.30449	3.8
131.08551	33.4
133.06468	7.7
133.10115	38.9
135.04442	5.9
135.08061	12.4
135.11711	23.5
137.05983	8.2
137.09587	8.9
137.13210	16.1
143.08606	21.7
145.10127	47.6
147.08037	6.8
147.11697	24.2
149.04477	7.6
149.09515	9.9
149.13287	20.8
151.03946	21.6
151.04935	4.2
151.07513	12.7
151.11133	4.6
157.10146	21.6
159.11705	26.7
161.13254	17.2
163.07553	6.4
163.11159	8.7
163.14841	23.2
165.09134	5.4
167.03406	16.4
167.05560	53.1
167.06929	8.1
167.10738	5.4
169.10095	10.1
170.10860	5.7
171.11674	21.0
173.09637	6.4
173.13255	37.8
175.11215	7.9
175.14850	36.2
177.12784	5.3
177.16425	13.1
181.10086	4.9
183.11700	9.0
184.07332	11.3
185.04533	4.2
185.13246	63.0
187.14850	32.9
189.12714	5.5
189.16391	22.9
191.14281	8.4
193.15912	6.1
197.13216	7.5
199.14850	17.1
201.12737	12.7
201.16364	13.2
203.14294	46.0
205.08595	4.6
205.15942	6.1
211.14796	6.3
213.12643	5.6
213.16316	6.3
215.14287	6.8
217.12285	8.3
219.13782	11.8
219.17450	4.8
221.15434	6.5
225.04268	14.0
225.16408	4.5
227.02171	6.1
227.07103	5.2
227.17853	7.6
231.13838	8.7
231.17464	5.7
233.15369	7.3
235.17192	5.5
239.09555	9.1
247.13264	14.9
249.14923	36.5
251.16444	12.3
253.19234	4.7
255.17334	5.0
266.99863	10.7
281.05112	6.5
283.02985	12.5
295.19144	5.7
299.06131	94.4
299.09143	19.8
300.06198	13.3
327.08621	54.4
343.22751	6.9
344.97620	16.2
351.26782	8.5
359.02911	8.3
366.83859	4.4
369.27887	7.4
381.31485	5.6
391.29953	18.1
409.31052	32.7
413.30414	17.8
415.03705	18.7
416.02893	4.8
419.29410	14.0
427.31985	19.1
429.29977	7.4
437.30573	46.3
438.30878	6.9
447.28854	6.5
455.31512	49.3
465.29922	15.2
473.32632	54.6
474.33365	8.2
483.31372	25.8
501.32257	60.8
502.32080	8.2
503.11197	4.9
507.16043	4.8
536.28882	21.0
537.30511	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.8
54.64906	1.9
55.01852	3.0
55.05505	7.5
56.98219	1.7
65.98354	1.9
67.05502	7.7
69.03414	2.1
69.07066	10.6
71.04996	5.6
73.04755	11.5
79.05479	9.3
81.07041	19.3
81.79265	1.7
85.06545	7.0
91.05887	19.3
93.07037	23.9
95.04964	4.8
95.08586	20.2
97.06524	2.4
97.10186	2.5
99.04427	3.3
99.08123	3.7
105.07025	30.5
107.08584	37.3
109.06512	5.8
109.10152	10.6
111.08025	2.2
117.07008	5.2
118.04967	2.0
119.08582	68.3
120.08936	3.1
121.06511	5.2
121.10142	42.7
123.08073	5.5
123.11700	5.9
125.09619	2.2
129.06963	5.0
130.07803	2.1
131.04932	3.0
131.08557	16.9
133.06523	2.6
133.10118	48.8
135.08049	4.9
135.11679	38.5
137.05988	3.3
139.11177	2.3
142.07794	4.5
143.08536	9.4
145.06529	3.1
145.10109	23.8
147.08008	4.9
147.11667	23.2
149.04420	5.4
149.09657	4.7
149.13255	9.4
150.14751	1.9
151.11180	3.0
155.08582	4.2
156.09361	4.5
157.10118	22.3
159.08090	2.6
159.11702	25.4
161.09627	6.0
161.13264	37.5
162.13644	2.2
163.11208	7.5
163.14786	30.2
165.12756	6.7
167.05544	33.3
169.10173	2.9
170.10817	2.1
171.11696	14.2
173.09666	3.7
173.13248	28.0
175.11186	5.2
175.14807	100.0
177.12752	7.1
177.16446	6.9
179.14265	10.7
183.11728	6.7
184.07341	3.5
185.09573	2.3
185.13245	14.0
187.11166	4.4
187.14799	9.3
189.12808	7.7
189.16385	5.4
191.10626	2.5
191.14308	21.8
193.15881	42.5
197.13255	8.2
199.11215	3.5
199.14804	16.7
201.12750	14.6
201.16405	3.5
203.14334	16.9
205.15895	7.9
207.13811	18.0
209.13322	3.4
209.15251	3.1
211.14842	5.4
213.16365	2.8
215.14365	12.7
217.15891	17.8
219.13829	6.7
221.13512	2.9
221.15198	10.4
223.14937	2.6
225.04311	6.4
225.12729	3.5
227.14331	3.5
229.15947	5.5
231.17458	8.0
233.15376	6.3
235.17004	3.1
237.16373	2.1
239.09506	3.0
243.13712	3.3
245.15367	7.3
247.16890	2.9
249.18530	3.0
253.16061	3.3
261.14935	7.3
263.16504	4.8
266.99979	6.5
281.05038	4.2
283.03033	6.7
299.06177	46.6
299.20279	2.6
300.06287	6.8
309.16885	4.4
317.22668	2.1
344.97623	11.1
345.97696	2.6
359.02774	6.4
359.27554	3.1
377.24612	3.5
383.27341	2.0
395.29755	2.5
401.28131	3.8
415.03552	8.2
419.29456	14.1
425.26770	3.6
437.30402	23.2
441.30103	2.9
447.28973	6.1
455.31433	12.2
465.30048	31.8
483.23984	3.6
483.31049	55.2
484.31421	6.0
501.32071	73.8
502.32092	7.4
503.11063	2.8
516.93628	2.1
536.28552	9.0
536.35889	3.7
537.28918	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	536.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02490	5.5
52.16048	5.3
53.03953	6.1
53.35476	5.6
55.05515	32.2
57.07066	21.9
60.08158	16.5
61.02932	6.2
66.99520	5.1
67.05501	44.1
69.07079	56.7
69.30839	46.2
71.08639	14.0
73.04752	38.1
75.46278	5.1
75.48837	5.4
79.05489	14.3
81.07057	62.2
83.08611	45.0
85.02898	8.5
85.10168	5.9
86.09718	42.8
91.05805	56.9
93.07044	38.2
95.08598	57.8
97.06537	9.9
97.10169	30.4
98.22617	7.3
100.64196	5.4
104.10742	44.9
107.08606	22.6
109.10155	29.1
111.08113	10.7
111.11726	7.9
121.10136	44.5
122.33612	5.9
123.11711	10.3
125.00002	27.0
126.94563	5.2
135.11714	32.6
137.13251	7.1
147.11688	7.5
149.13281	9.9
167.05540	58.1
168.05600	7.1
177.16443	6.6
184.07321	86.0
225.04314	11.6
239.09396	12.3
247.24199	35.4
265.25287	85.3
266.99985	8.1
281.42648	7.1
283.02924	18.0
283.26382	8.0
299.06161	99.1
300.06110	13.6
339.28900	92.8
344.97583	23.6
345.26572	5.8
357.30093	13.7
359.02979	8.5
373.19855	7.2
404.79581	7.9
415.03705	18.9
518.35938	7.9
518.50159	6.8
522.77203	6.1
536.36627	52.9
537.35724	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	21.8
57.07075	10.5
59.79201	5.8
63.35563	5.9
67.05505	20.6
69.07063	27.9
71.34126	5.4
73.02915	5.9
73.04743	23.8
79.05470	8.7
81.07053	26.1
81.77686	5.7
83.08617	18.3
89.08277	6.0
90.76337	6.1
91.05824	47.8
93.07043	17.2
95.08587	29.9
97.10159	11.6
99.08122	8.1
100.04537	5.8
104.10728	15.6
105.07025	7.1
107.08584	15.2
109.08221	6.1
109.10152	13.9
110.21110	5.5
121.10147	25.8
122.40955	5.9
135.11713	10.5
137.91859	6.1
149.04518	7.0
149.13271	5.8
159.11685	6.1
167.05547	55.9
171.11543	6.3
184.07335	17.8
193.45631	5.7
199.74321	6.1
247.24281	8.7
265.25296	24.1
266.99796	11.8
283.03101	10.9
299.06183	100.0
300.06186	17.0
339.28973	16.4
344.97543	17.6
357.30069	6.4
392.59085	6.2
415.03510	14.8
524.56952	5.9
536.34485	37.2
537.35498	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	537.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.4
55.01878	3.6
55.05503	3.7
65.03938	9.1
67.05500	5.5
69.03441	3.1
69.07094	5.0
71.52776	2.7
73.04786	2.9
79.05505	9.5
81.07048	7.0
91.05450	21.3
93.03413	5.9
93.07056	5.5
95.04982	4.6
97.10123	3.0
103.05466	26.9
105.07008	13.1
107.04952	76.8
107.08615	4.5
108.05293	4.3
109.06569	3.5
110.03698	5.0
111.04450	6.1
114.94286	2.6
115.05460	10.9
116.06214	3.1
117.07032	4.0
119.04942	4.8
121.06512	6.0
123.37728	2.5
125.05984	14.5
125.59931	2.7
129.07033	2.7
131.04929	11.1
131.08559	30.7
133.06503	8.0
135.08067	11.5
137.05981	23.5
141.07022	6.4
143.08583	3.1
145.06509	3.9
145.07582	2.9
147.04405	29.8
151.03922	9.4
151.07532	8.2
153.05438	13.1
159.08044	52.1
160.08369	2.6
161.06013	7.9
162.03119	4.1
163.07541	100.0
165.06996	3.6
165.09097	3.2
167.05656	4.9
167.07069	6.7
167.08459	4.4
168.05508	2.5
169.06500	10.2
173.09642	3.2
175.07469	4.2
177.05409	3.5
179.07040	5.4
181.04951	3.5
181.08669	5.1
187.07561	4.2
188.08342	6.2
189.05464	4.6
189.09145	7.7
191.10664	23.8
193.06915	3.3
193.08620	11.0
193.10216	7.9
195.08075	11.8
197.06020	6.9
197.09650	12.8
199.07410	2.7
201.09102	5.7
203.10663	10.1
207.08081	4.5
209.08119	8.1
210.06760	5.8
211.07597	4.4
213.09157	3.5
214.06294	7.2
215.53667	2.5
219.10144	40.6
220.08780	4.4
221.09612	6.9
221.11691	4.4
222.10226	3.7
223.07547	7.5
224.08376	4.7
225.05551	4.7
225.09122	16.1
226.06174	4.9
226.09924	2.6
227.03465	6.7
227.06891	3.3
227.10724	3.8
228.11584	4.8
229.08702	8.1
233.09543	2.9
238.09943	6.3
239.10675	7.0
240.07832	6.9
241.08656	12.1
242.05785	9.3
242.09311	4.2
249.09074	6.7
253.08600	4.9
253.12260	15.7
255.10100	16.6
257.08112	14.5
257.11765	13.7
263.10626	8.8
265.12228	4.3
266.09155	3.4
267.10229	3.4
269.08060	4.1
270.05267	2.8
271.09830	3.1
277.08514	4.5
281.11713	8.4
282.12531	4.8
283.09653	5.7
285.07620	27.9
285.10992	5.5
285.14725	6.3
291.10172	9.9
295.13239	8.0
300.06403	4.0
309.11273	9.3
313.14319	64.6
314.14670	3.6
315.12222	45.2
323.12839	7.5
324.09174	3.0
341.13843	80.8
355.15585	3.6
373.16364	4.1
507.20309	2.5
537.27637	5.0
537.33759	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	537.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94704	0.1
55.05506	0.2
60.60659	0.1
70.01229	0.3
70.01634	0.3
72.53705	0.1
73.04748	0.3
79.64538	0.1
81.07045	0.2
89.35066	0.1
91.05809	0.3
107.08503	0.2
126.34953	0.1
133.10124	0.1
165.61806	0.1
167.05540	0.3
185.04277	0.4
201.15961	0.1
203.05196	0.8
259.07813	0.3
299.06311	0.5
300.06302	0.4
408.91351	0.2
537.30280	100.0
538.30585	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	537.3029
Annotation	Lys Phe Asp Lys
Peak:m/z	Relative Intensity
54.13720	0.3
54.36937	0.2
58.90549	0.2
66.38226	0.2
67.05495	0.5
69.07076	0.2
70.11688	0.7
73.04749	0.7
73.05119	0.2
79.05459	0.4
81.07076	0.4
83.51582	0.2
91.05775	0.8
93.07020	0.3
95.08620	0.8
97.10159	0.2
107.08611	0.2
109.10171	0.5
119.08574	0.5
121.10130	0.3
131.08626	0.3
133.10120	0.4
145.10179	0.2
149.04468	0.2
159.08029	0.3
167.05560	1.2
167.06856	0.2
168.05603	0.2
225.04306	0.3
281.18625	0.2
299.06155	1.4
300.06113	1.4
301.06015	0.2
344.97568	0.3
345.97638	0.2
537.30267	100.0
538.30542	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	537.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17610	0.5
55.05514	1.0
67.05501	1.6
67.45182	0.6
71.33810	1.0
73.04769	1.7
79.05469	1.0
81.07061	1.6
91.05828	3.4
93.07059	1.8
95.08595	1.3
104.10764	1.0
105.07026	0.7
107.05015	0.7
107.08545	1.1
109.10174	0.8
119.04997	0.5
119.08608	1.4
121.10156	1.4
125.09583	0.6
129.07011	0.5
133.10161	1.2
167.05569	2.8
167.06863	0.9
168.05643	0.8
175.14851	0.5
183.11806	0.6
184.07361	1.3
204.22719	0.6
240.10005	0.5
267.99896	0.8
282.05118	0.7
296.82880	0.6
299.06143	4.7
300.06219	4.2
301.05975	0.6
345.97623	1.1
411.22104	0.7
416.04047	0.8
417.03662	0.6
491.79257	0.6
537.30322	100.0
538.30603	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	537.3036
Annotation	Lys Phe Asp Lys
Peak:m/z	Relative Intensity
55.05520	1.0
67.05506	1.7
69.07063	1.1
71.31705	0.7
73.04743	1.9
74.20753	0.5
79.05508	1.8
81.07069	1.9
83.08642	0.7
83.16100	0.5
91.05798	1.9
93.07040	1.2
95.04953	1.1
95.08610	1.6
97.06520	0.7
105.07063	1.6
107.04958	0.7
107.08600	2.2
109.06516	0.5
109.10180	0.7
117.07009	0.8
119.08578	2.2
121.06524	0.6
121.10163	1.4
131.05003	0.7
131.08577	1.2
133.06529	0.5
133.10162	1.0
135.08093	0.5
135.11667	1.0
137.05975	1.4
145.10115	0.5
149.09636	0.5
151.03917	9.5
151.05026	0.8
151.07547	1.2
159.07985	0.8
159.11691	0.6
161.06047	0.6
161.13350	0.5
163.14824	0.6
165.05461	2.6
167.05550	2.5
175.07602	0.6
175.14827	0.7
176.15184	0.7
187.11250	0.5
189.16484	0.6
193.08427	0.6
209.11792	0.5
219.10091	0.5
267.99863	0.6
283.15289	0.7
288.73178	0.5
299.06070	2.7
300.06235	2.6
301.06207	0.7
345.98029	0.5
355.15424	0.6
409.55817	0.6
428.27701	0.6
456.32187	0.7
466.30511	0.8
484.31705	0.7
502.32516	1.0
515.61523	0.5
519.29218	1.1
537.30225	100.0
538.30524	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	537.327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.0
55.01867	3.3
55.05508	30.6
57.03437	7.0
57.07073	4.7
65.03934	3.8
66.32404	3.1
67.05507	27.8
69.03432	13.6
69.07065	28.5
69.99155	2.9
70.48894	6.2
70.49234	4.8
71.04993	11.0
73.02943	5.9
73.04762	4.6
79.05496	24.3
81.03442	8.7
81.06571	5.2
81.07059	100.0
82.07418	3.2
83.04981	8.8
83.08630	14.6
85.02910	15.3
85.06548	9.7
91.05451	27.8
93.07043	67.5
95.04973	15.5
95.08606	63.0
97.02881	6.6
97.06538	9.9
97.10164	37.4
99.08121	5.0
99.12006	3.4
103.05498	4.3
103.24342	3.5
105.03419	3.8
105.07032	49.5
107.04960	7.0
107.08601	53.3
107.18673	3.4
107.57821	4.1
108.86982	3.0
109.02883	7.8
109.06538	13.2
109.10147	48.8
111.08086	18.5
111.11697	3.8
117.06979	5.2
119.05003	3.2
119.08581	48.3
121.06512	7.2
121.10148	60.2
122.10576	3.6
123.04445	7.2
123.08042	7.8
123.11716	28.3
125.09654	12.6
127.03933	5.2
129.07066	2.9
131.08589	11.7
133.06516	6.7
133.10123	25.6
133.21239	3.2
135.11736	27.1
137.05957	18.7
137.09615	8.3
137.13295	5.9
139.11214	13.5
140.04701	9.0
143.10690	9.8
145.04997	3.9
145.10161	20.3
147.04427	4.5
147.11694	46.3
149.06001	4.5
149.09642	7.7
149.13312	12.9
151.03879	7.0
151.07582	6.5
151.11220	6.8
153.01825	25.6
153.05487	4.6
153.12755	5.1
155.07054	9.7
157.12241	5.2
159.08029	6.3
159.11707	14.8
161.06000	9.7
161.13237	17.5
163.07533	4.0
163.11209	11.7
163.14880	5.0
165.05450	4.6
165.12729	6.7
167.05673	6.5
167.07083	15.8
169.12202	5.7
173.13271	5.9
175.03917	5.5
175.07562	4.4
175.14832	12.9
177.05531	4.0
177.16409	5.5
179.07066	5.5
181.04991	14.4
187.07603	4.9
187.13318	5.8
187.14828	8.4
189.05598	4.2
189.09219	3.6
189.16377	9.9
191.14392	4.3
193.08618	9.4
193.15919	7.5
205.15968	4.3
207.06483	5.7
219.10165	7.8
221.08084	10.0
221.11739	4.6
223.16887	16.4
227.09120	23.1
229.19427	3.4
235.16939	6.4
237.11276	4.1
237.18282	3.8
239.09178	3.6
241.18013	3.6
267.21246	4.8
275.23566	7.5
277.21597	3.7
285.22147	7.2
291.23209	10.8
299.06125	8.2
300.06137	9.9
303.23181	48.3
304.23660	6.1
309.24344	6.0
321.24222	49.2
327.12265	3.9
339.25247	36.4
475.34894	3.5
486.03394	3.5
537.22455	5.6
537.26654	5.5
555.67847	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.327
Annotation	glas#24
Peak:m/z	Relative Intensity
53.03957	8.2
55.01878	2.8
55.05519	29.4
57.03436	6.0
57.07086	5.5
63.35685	2.9
65.03932	4.1
67.05505	35.2
69.03417	16.4
69.07061	30.5
71.04993	7.6
73.02925	4.1
73.04713	3.0
76.83396	3.2
79.05499	29.6
81.03418	8.9
81.07059	100.0
83.04985	9.9
83.08633	12.0
85.02913	20.2
85.06557	7.5
91.05451	27.6
93.06474	2.2
93.07050	61.8
95.04955	17.3
95.08614	70.2
97.02894	7.0
97.06526	14.2
97.10164	38.0
99.04466	4.2
99.08116	4.1
103.05493	4.6
105.07035	44.4
107.04972	6.7
107.08598	59.0
109.02908	7.3
109.06516	12.9
109.10164	38.8
110.10483	3.3
111.04439	3.2
111.08076	22.1
111.11722	4.5
115.05506	3.9
117.07038	9.3
117.07838	2.8
119.04936	4.8
119.08574	42.5
121.02850	3.4
121.06493	5.0
121.10144	56.7
123.08109	4.9
123.11708	28.1
125.09612	15.1
127.03957	4.9
127.11200	4.6
129.07002	4.1
131.04933	6.4
131.08578	14.1
133.02878	3.0
133.06468	8.9
133.10106	25.8
135.08098	3.6
135.11697	24.4
137.05988	13.7
137.09648	8.2
137.13229	5.4
139.07549	4.0
139.11197	13.2
140.04683	8.5
141.06944	4.4
143.08601	4.2
143.10657	8.6
145.10138	19.4
147.04468	5.7
147.11697	39.8
149.09599	6.6
149.13237	9.6
151.03928	6.1
151.07529	5.6
151.11195	8.3
153.01826	22.2
153.05521	5.6
153.12761	7.3
155.07027	11.6
157.10156	5.0
157.12265	5.5
159.08063	3.6
159.11703	17.7
161.06018	6.9
161.13300	14.6
163.07542	5.7
163.11205	11.3
165.05458	4.4
165.12779	11.2
167.05696	5.1
167.07060	17.1
169.12248	5.0
173.13324	6.1
175.03905	6.2
175.07550	5.7
175.14807	11.4
177.05516	7.9
177.12767	6.8
177.16394	6.9
181.04913	17.4
181.08675	3.5
185.13206	5.0
187.07516	3.9
187.13289	7.2
187.14825	9.2
189.09149	4.8
189.11127	6.3
189.16354	3.9
191.07007	3.1
191.14247	3.7
191.17973	3.0
193.08624	10.9
193.15903	6.6
205.15869	6.4
207.06462	5.8
215.17931	4.0
219.10219	6.3
221.08055	11.1
223.16975	17.1
227.09181	18.1
229.23531	4.2
232.34233	3.1
235.09676	5.0
235.17004	6.6
239.09267	5.4
241.18069	8.8
257.22845	3.6
267.21085	7.4
275.23981	5.2
285.22137	11.8
291.23090	9.0
299.06271	4.8
300.06381	5.4
303.23230	44.4
309.24219	9.9
311.13074	3.8
321.24240	53.2
322.24619	3.8
327.25455	4.6
339.12564	3.5
339.25342	39.0
519.19318	4.3
537.17621	6.4
537.26965	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	537.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08850	0.9
55.05508	1.9
57.07058	0.9
67.05492	1.8
69.07059	1.6
71.34670	1.0
73.04755	0.8
81.07055	2.8
83.01095	1.8
83.08643	1.0
91.05795	2.6
93.07020	1.7
95.08622	3.0
107.08595	2.2
109.10179	1.2
119.08590	0.9
121.10151	1.1
133.10130	1.0
145.10167	1.3
156.77527	0.8
157.09935	0.8
163.14838	1.0
167.05597	2.3
229.30539	0.8
241.36446	0.8
275.89679	0.8
299.06250	3.3
300.06213	1.7
301.06027	1.2
415.48877	0.9
416.03763	1.3
475.35587	0.9
477.33228	0.9
537.35498	100.0
538.35748	11.5
542.26410	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03179	0.3
53.03942	0.7
54.03466	1.0
55.01866	0.8
55.04261	0.5
55.05490	0.6
58.06591	0.7
65.03941	0.3
68.64401	0.3
68.99789	2.3
69.03423	0.5
70.06593	100.0
71.01367	0.3
71.06916	1.0
71.31326	0.5
73.04731	0.3
77.04035	0.3
77.85386	0.4
79.01846	0.8
79.05484	1.7
81.03402	0.4
81.07059	2.0
83.04958	0.3
85.02905	0.8
85.06540	1.2
91.05462	1.9
93.07046	2.0
95.04965	0.8
95.08595	0.6
96.08051	0.3
97.02905	0.4
103.05466	1.8
105.07032	1.8
107.04955	2.3
107.08575	0.4
109.06540	0.7
111.08068	0.7
119.04953	0.8
119.08643	0.3
121.02892	0.5
121.06493	3.8
121.10134	0.7
123.04432	8.4
131.04939	1.1
133.06488	1.2
133.10118	0.6
135.04416	2.9
135.11678	0.5
137.06012	0.5
143.03365	0.6
147.04407	4.4
147.05478	0.5
147.11726	0.4
149.05969	6.9
151.11227	0.5
153.01836	9.8
153.02953	0.6
159.04475	1.4
161.05951	2.7
161.13173	0.3
163.03860	0.4
165.05519	3.0
173.05992	0.6
175.07605	1.0
177.05467	70.9
178.05824	1.8
179.14272	0.4
189.05478	4.5
203.07262	0.3
207.06548	0.5
227.16336	0.4
234.11235	3.4
293.08380	0.4
301.05884	0.4
311.09076	4.1
329.10083	2.8
368.14999	0.7
481.11234	6.8
482.11465	0.5
538.17053	32.4
539.17456	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34288	0.4
55.01861	0.4
57.03437	0.6
61.02919	0.8
66.04705	0.4
69.03424	1.7
70.37065	0.8
71.04986	0.4
73.02930	0.3
73.04729	0.4
74.48660	0.3
75.23020	0.3
79.05473	0.8
81.03427	0.9
83.18736	0.3
85.02903	6.0
91.03939	0.3
91.05457	0.6
94.04179	1.8
97.02886	2.0
103.05470	3.6
105.06989	0.4
107.04974	1.4
109.06524	0.6
119.04961	0.7
121.02825	0.6
121.06512	0.7
122.03648	4.6
127.03957	0.7
129.07008	0.6
131.04921	13.1
131.05893	0.6
133.06494	0.4
135.04384	0.6
137.05974	100.0
138.06302	3.2
145.04955	1.0
145.06451	0.8
146.03658	0.3
147.04413	1.2
149.05960	1.6
151.03911	1.4
151.07555	1.3
153.01790	0.3
157.06465	0.5
161.05981	0.6
163.07539	6.1
165.05460	1.7
167.05688	0.3
167.07066	0.6
175.07509	1.2
175.34007	0.3
177.05533	1.4
177.09064	0.4
178.06226	0.5
179.07037	1.0
189.09103	1.0
191.07048	0.9
202.07664	0.4
203.06856	0.4
203.08565	1.4
205.08546	0.8
217.08641	0.8
219.07976	0.4
221.08035	0.4
223.09663	2.1
231.08081	3.2
232.08730	0.6
235.09628	0.5
248.08331	1.2
249.09154	0.5
259.07550	1.3
260.08316	0.6
263.10678	3.7
276.07730	0.7
277.08508	0.3
281.11749	0.7
290.09280	0.5
291.10135	6.7
292.10721	0.4
295.13470	0.5
296.35428	0.4
299.06171	0.8
301.05963	0.7
305.11679	2.7
308.10480	0.3
309.11227	1.1
323.12781	7.0
324.13278	0.5
341.13831	33.3
342.14169	2.3
359.14890	16.2
359.19510	0.6
360.15393	1.5
375.67737	0.3
397.63263	0.3
412.50296	0.4
538.17059	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.8
55.01862	1.1
57.03437	0.9
60.96973	0.5
61.02918	1.5
65.03951	0.7
69.03435	2.7
69.25058	3.3
73.02929	0.5
79.05489	0.6
81.03408	2.3
85.02898	8.7
91.05444	0.9
93.03411	0.9
94.04211	1.6
95.04936	0.5
97.02895	2.7
103.05479	1.8
107.04948	1.7
109.02872	0.6
109.06529	0.8
111.04449	1.1
115.05437	6.6
117.07024	1.8
119.04957	0.7
121.06555	0.5
122.03630	4.8
125.05996	1.8
127.03909	1.7
127.44347	0.4
128.06207	1.3
129.06998	4.8
131.04906	2.8
137.05972	77.8
138.06299	2.6
143.04918	10.7
144.05656	1.8
145.04961	2.5
145.06407	2.6
147.04340	0.8
147.08022	0.8
151.03854	0.9
151.07550	1.5
153.01787	0.7
153.05476	2.7
157.06485	4.2
159.04431	0.7
160.05188	15.3
161.05934	2.1
163.06332	0.4
163.07513	2.9
165.05539	0.7
165.09161	0.6
167.06963	0.6
172.05203	1.9
173.05942	0.7
174.06792	1.8
175.07536	100.0
176.07898	4.5
177.05470	0.8
179.07117	0.7
180.08655	1.2
180.37047	0.5
185.05914	0.5
187.07535	32.5
188.07869	1.1
189.09077	6.5
195.10207	0.7
197.10724	0.5
203.08586	1.3
205.08585	20.0
206.08932	0.9
211.07527	1.4
217.08636	2.9
219.08058	1.8
220.08646	0.6
227.07019	0.8
231.08049	1.8
235.09637	18.6
236.10022	1.2
239.06921	1.4
240.07567	0.8
247.07452	1.0
248.08252	1.6
255.06511	0.9
256.07349	0.6
259.07452	0.8
261.08966	0.5
263.10602	2.3
265.08548	0.6
270.08823	1.6
271.09607	4.1
276.07822	0.9
279.10071	1.7
283.09698	0.9
291.10144	6.4
292.10541	0.9
296.10294	0.7
311.12845	2.6
323.12729	6.3
324.13141	0.7
341.13834	5.3
538.19354	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05473	4.0
69.02306	30.9
73.04745	7.6
73.97301	2.9
81.07040	3.1
81.10280	2.8
91.05798	10.1
93.07065	3.5
96.77291	3.0
100.82915	2.9
103.05457	3.8
105.07036	7.2
107.04930	4.5
107.08589	4.6
115.08002	2.7
115.24645	2.7
119.08540	4.7
121.10143	4.5
129.07054	3.3
131.04929	9.0
131.08525	4.1
135.08034	3.7
137.06007	9.9
141.07021	3.7
144.05673	4.1
147.11681	3.1
149.05952	4.3
159.08063	6.1
161.05974	4.9
163.07510	5.6
165.05197	3.0
167.05531	8.3
167.07054	9.9
168.05603	4.5
173.13234	3.4
177.05493	2.9
186.06757	5.3
187.07605	4.2
201.05672	4.0
201.09076	4.0
215.06911	3.8
219.08032	4.7
221.34528	3.2
225.52644	2.9
229.08542	8.1
247.07524	4.6
247.09714	10.6
248.08304	6.9
255.06593	4.1
262.09888	3.6
263.10535	5.1
265.08466	3.2
276.07681	5.0
277.50406	2.9
291.10150	11.7
293.08157	3.6
299.06183	9.8
300.06232	6.7
301.05792	14.2
307.09384	3.9
308.10455	6.6
319.09760	8.6
321.07550	5.5
323.12817	7.4
336.09912	4.7
337.10629	5.7
346.97205	4.2
351.12234	8.7
353.10159	7.4
368.12439	7.1
383.14865	100.0
384.15201	9.8
417.03235	4.7
443.16937	7.3
539.27246	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	538.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	9.1
55.77533	5.6
67.05495	14.2
69.07071	7.2
69.63404	9.2
69.63805	21.2
71.04977	6.7
73.04740	10.5
81.07021	10.2
91.05814	12.5
93.07050	16.3
95.08601	9.1
98.23228	8.5
103.05480	15.7
103.67714	5.3
105.07043	15.9
107.08658	8.5
109.10192	10.6
115.86339	6.2
119.08612	15.2
121.06493	19.1
123.04410	35.8
133.10112	11.1
137.06030	8.1
145.02888	8.7
145.10143	8.5
149.05931	42.7
161.06041	14.3
163.07542	5.9
167.05609	24.0
168.05595	6.9
169.05298	6.5
177.05467	20.6
181.08624	25.9
191.06920	29.8
193.08609	6.6
209.08098	100.0
251.09149	64.7
299.06250	26.6
300.06256	7.9
301.06052	25.2
346.97375	11.2
367.18958	11.4
417.03345	11.6
538.29742	14.7
539.32068	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	538.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.3
67.05498	1.3
73.04757	2.3
79.05502	3.1
81.07076	1.0
91.05399	0.9
91.05846	1.4
93.07035	1.4
95.08593	0.9
103.05470	1.3
105.07063	1.7
107.04965	3.3
107.08593	1.8
109.10201	1.0
115.05476	1.8
121.02880	1.0
129.07010	1.8
131.04945	1.3
131.08575	2.4
137.05986	6.8
141.06981	3.1
144.05710	2.4
145.10118	1.0
149.06003	2.3
157.06500	1.5
159.08029	4.1
161.05966	2.3
167.05583	2.5
167.07063	7.0
168.05620	0.9
169.05252	1.1
169.06496	1.8
170.07251	1.9
177.05478	3.7
181.04987	2.3
186.06783	3.1
187.07545	2.9
191.07051	1.1
200.08363	2.3
201.09120	2.8
202.07822	1.4
203.08641	1.9
205.06573	1.4
205.08568	2.1
211.07523	0.9
214.06285	1.2
215.06917	1.9
217.08594	1.9
218.07155	1.3
219.08066	2.7
219.10089	1.1
220.08755	1.9
229.08582	8.5
231.08167	4.1
231.10086	1.3
232.08907	1.8
233.09663	2.7
235.07452	1.1
240.07831	1.3
245.09761	1.3
247.07674	5.8
247.09587	5.9
248.08322	6.2
249.09013	1.9
251.06926	1.0
259.07565	2.0
260.08350	1.4
261.05545	1.1
261.09122	3.3
262.06104	0.9
262.09845	3.2
263.07672	0.7
263.10666	5.6
264.07806	1.7
265.08621	2.1
269.08069	1.3
273.09140	1.1
275.07056	2.9
276.07864	4.4
277.08575	3.8
278.05627	1.0
279.06577	1.0
279.10092	2.3
282.08960	1.1
289.08029	0.9
289.10837	1.7
290.09445	3.2
291.10095	8.5
292.07358	3.4
292.10583	1.3
293.08167	5.9
293.11365	1.2
294.08905	1.8
299.06073	2.4
300.06296	2.0
301.05923	3.9
304.07254	1.6
305.08261	1.9
305.11679	1.9
307.06104	1.3
307.09058	2.0
307.11795	3.5
308.10422	5.2
309.11255	1.1
310.08151	0.9
311.08994	1.6
315.08569	4.5
318.08853	1.3
319.09689	4.8
320.10214	1.0
321.07330	1.6
321.11194	1.2
322.08353	1.4
322.12027	2.1
323.09290	1.3
323.12814	5.3
325.10846	1.8
330.10934	2.8
335.09125	2.4
336.09824	4.2
337.10706	6.9
338.07977	1.2
343.11639	1.1
344.97974	0.8
350.11676	1.8
351.12216	12.8
352.12970	2.1
353.10254	6.7
367.57013	0.9
368.12540	9.5
369.12830	1.0
383.14865	100.0
384.15204	7.6
401.15768	1.7
417.03369	1.1
421.89359	0.9
433.16403	1.0
443.16895	10.6
539.28809	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
55.01877	1.8
57.03442	1.1
60.59593	0.7
61.02921	1.4
64.67968	0.8
69.03419	4.3
69.40913	2.1
69.41332	3.2
73.02952	0.8
76.99126	0.7
79.05481	1.8
81.03422	1.6
81.07033	1.4
83.09183	0.7
85.02909	8.3
91.05444	3.7
92.04456	0.7
93.07027	2.4
94.04210	1.1
97.02889	2.9
103.05467	1.1
105.07016	4.7
107.04942	4.6
107.08574	1.4
109.02875	1.1
109.06533	1.1
112.28362	0.8
113.44277	0.7
115.05466	4.4
117.07060	1.4
119.08548	1.1
121.06503	6.9
121.10115	1.4
123.04391	1.7
124.05119	1.2
127.03185	1.4
129.06981	2.6
131.04951	1.8
133.06477	2.9
135.04440	1.4
135.08073	1.0
136.05186	4.8
137.05971	2.6
143.04903	1.7
145.04218	1.1
146.07254	5.1
147.08115	3.6
147.32408	0.7
149.05975	2.5
149.09579	1.0
151.07535	22.9
152.86243	0.8
157.06541	1.9
161.05975	100.0
162.06509	3.9
163.07562	7.4
165.05463	12.9
165.09102	2.7
175.07536	17.8
177.05469	5.9
177.09123	7.6
178.09885	15.8
185.05971	1.6
189.09061	1.1
195.06528	3.1
203.07030	45.8
204.07393	2.3
221.08005	6.3
221.09920	0.8
222.10338	1.0
238.09869	0.9
249.09172	2.0
250.09808	1.1
253.12242	2.2
259.07571	0.9
263.10706	0.9
267.10184	2.6
267.13916	1.1
268.11002	2.1
273.09052	1.4
274.09875	2.8
277.12213	2.3
281.11719	5.4
291.10168	1.0
295.13269	0.9
299.12784	8.1
305.11734	5.8
306.12021	0.8
308.10287	1.3
313.14288	1.8
323.12759	7.4
324.13574	1.1
341.13831	51.8
342.14127	3.4
359.14874	93.0
360.15247	6.5
433.20697	0.8
441.96631	1.0
494.30267	3.1
498.15204	0.9
539.20923	2.2
539.28278	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94068	0.9
51.42842	0.7
53.59394	0.7
57.03443	1.2
59.05012	1.0
62.51915	0.8
65.03942	3.5
67.05504	1.0
69.03429	2.3
69.07059	1.9
69.15488	0.8
69.15803	7.7
72.35065	0.8
79.05495	2.1
85.02906	6.2
88.76507	0.8
91.05470	8.1
93.03397	5.1
94.04180	2.1
95.04963	1.9
95.08643	1.4
97.02892	2.6
103.05463	1.5
105.07047	8.9
107.04948	5.0
108.05750	2.6
109.02857	1.3
109.06532	2.1
111.04450	4.8
117.07022	1.8
119.04945	4.8
121.06494	2.6
122.03651	3.0
124.05221	3.3
125.05994	9.4
127.03905	1.3
128.06229	1.4
131.04932	3.0
131.08597	1.1
131.59604	0.8
133.06491	9.2
134.41458	0.8
135.04436	1.7
135.08076	1.8
136.05190	6.3
137.05977	64.9
138.06737	2.6
139.07545	19.8
143.08580	5.6
145.04933	1.5
145.06468	5.2
145.10127	1.1
147.04482	0.9
147.08052	2.5
149.05992	1.2
150.06799	4.1
151.03923	20.9
151.07538	100.0
152.07901	2.8
153.05466	19.5
153.06699	1.5
159.08084	2.0
161.09682	1.1
162.06787	3.7
163.07556	3.9
164.08389	3.1
165.05475	10.5
165.06879	1.6
165.09111	37.7
167.05650	1.0
167.07021	14.7
167.08339	1.7
171.08051	9.4
172.08844	2.0
174.10501	0.9
175.07533	1.0
176.08298	1.3
177.09143	2.7
179.07094	1.2
179.10672	24.2
181.08604	2.1
181.10143	1.0
186.10448	3.8
187.07620	0.9
188.08305	7.9
191.10678	4.6
195.10152	1.8
202.09900	10.7
203.10678	29.0
204.11040	1.7
205.12259	2.4
209.13258	5.7
217.10683	0.5
217.12247	25.8
221.11728	44.8
221.89456	0.9
222.12141	1.8
235.13272	41.4
236.13625	1.7
270.08972	1.2
309.14813	1.2
341.17468	24.8
342.17957	1.7
359.18518	26.8
360.19089	1.7
471.45184	0.8
538.26855	1.4
539.27802	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.1
55.01860	3.9
55.05510	8.4
57.03443	8.2
61.02923	11.3
62.64177	2.7
67.05499	17.3
69.03424	20.1
69.07072	9.7
70.63818	7.4
71.04974	14.1
73.02918	3.4
79.05497	20.5
81.03397	13.5
81.07053	41.1
85.02904	95.8
85.06540	50.5
91.03946	4.5
91.05461	17.2
93.07037	54.1
95.04973	5.5
95.08609	50.4
97.02896	23.5
97.06507	5.8
99.04475	5.9
103.05451	3.9
105.07024	66.1
107.08598	44.7
109.02883	11.3
109.06550	4.4
109.10120	13.2
111.08073	8.2
119.08566	44.5
121.10163	22.3
123.04446	5.9
123.08111	6.1
125.06022	2.8
125.09660	3.6
127.03909	20.8
128.06328	3.0
131.05009	2.8
131.08575	3.3
133.10129	59.8
135.11682	58.2
137.05998	11.8
145.04956	31.2
145.10179	4.1
147.04433	2.7
151.03931	10.7
151.07703	3.7
152.04245	3.5
161.06038	4.2
161.13255	63.7
163.06035	11.4
167.07062	6.5
173.13199	5.0
175.07610	3.1
177.05444	3.1
179.14291	100.0
180.14565	3.5
185.09496	2.9
193.08607	12.5
197.15363	34.5
198.15765	3.1
207.10249	3.1
207.13876	3.6
221.08124	10.3
223.11597	3.4
262.35965	2.6
323.12720	3.3
323.87164	3.0
327.56613	2.7
341.19427	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	538.286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.2
54.43349	2.2
55.01872	3.3
55.05529	6.2
56.20339	2.3
57.03432	4.5
61.02917	6.1
65.03945	3.3
65.50233	2.1
67.05499	14.0
69.03428	18.9
69.07072	14.1
69.56590	7.8
69.56994	5.1
71.04998	18.5
73.02908	3.5
73.04746	2.4
79.05496	17.3
81.03420	10.0
81.07060	33.9
83.04986	3.8
85.02906	87.0
85.06544	44.8
85.99260	2.2
87.04483	3.3
91.03984	4.3
91.05447	20.2
93.07050	46.8
94.07439	2.8
95.04978	7.5
95.08609	47.5
96.08915	2.4
97.02908	27.0
97.06525	7.0
99.04471	7.1
99.08078	4.2
103.03969	2.9
103.05454	3.4
105.07030	77.6
106.02379	2.3
106.07339	2.2
107.08595	35.1
109.02895	9.8
109.06537	5.9
109.10154	12.7
111.08109	5.0
117.07007	3.1
119.08578	55.1
121.10163	21.8
123.04453	4.9
123.08067	5.5
123.11768	3.8
125.09657	2.7
127.03917	21.3
131.04962	3.5
131.08566	6.2
133.10124	57.6
135.11700	51.3
135.12666	4.8
137.06013	9.3
137.09648	4.2
137.13242	4.3
139.11156	4.0
145.04938	26.8
145.10129	3.4
151.03906	7.3
151.11200	5.6
153.01787	3.7
159.11691	4.4
161.06055	5.7
161.13261	71.9
163.03935	2.4
163.06017	10.2
163.07430	3.3
165.09171	2.9
167.05618	2.5
167.07028	5.0
167.53235	2.4
175.07567	4.0
177.05513	2.7
179.06950	2.3
179.14311	100.0
180.14662	2.5
193.08568	16.8
193.64333	2.1
197.15384	35.1
203.06879	3.0
221.08034	18.0
341.19858	3.3
531.88843	2.3
538.23706	3.1
539.18219	2.9
539.27765	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	538.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.5
55.01858	3.6
55.05503	7.0
57.03427	8.3
57.07059	2.1
57.93637	1.5
61.02928	8.7
67.05510	12.2
69.03428	20.1
69.07077	9.2
70.31949	1.9
70.32283	5.6
71.04996	13.7
73.02905	2.2
79.05491	18.3
81.03414	8.4
81.07052	36.9
83.04994	3.6
83.08621	2.0
85.02905	92.2
85.06541	43.8
87.04471	3.3
90.95480	1.9
91.03966	2.8
91.05471	22.7
93.06454	2.7
93.07044	47.0
93.07612	3.3
95.04958	6.0
95.08025	3.4
95.08607	49.1
97.02889	26.3
97.06568	5.2
99.04476	4.7
99.08086	5.2
105.07027	68.0
106.07377	3.3
107.04936	3.5
107.08594	37.8
107.09270	3.5
109.02862	11.0
109.06522	5.1
109.10146	10.2
111.08077	6.4
115.05442	1.8
117.07027	3.4
119.04924	2.4
119.08583	48.6
119.09425	3.2
121.06570	1.8
121.10139	18.9
123.08092	5.0
123.11722	1.9
125.06010	2.3
127.03922	17.9
129.07019	1.8
131.04929	4.2
131.08595	5.2
133.10129	58.9
135.11688	48.7
135.12656	3.1
136.12091	2.0
137.05971	27.3
137.09584	3.5
137.13263	3.4
145.04950	31.2
147.04387	3.7
151.03896	12.3
151.07524	2.2
151.11209	2.1
153.05441	2.5
161.13260	75.4
162.13550	2.3
163.06013	10.3
163.07555	5.2
167.07063	4.6
177.05533	2.9
179.14310	100.0
180.14651	4.3
181.08667	2.5
197.11768	1.9
197.15370	31.1
197.17015	2.7
205.08644	2.4
207.06549	6.4
235.09741	2.8
323.12921	2.1
341.13654	9.5
359.14929	5.0
359.20502	2.5
539.28302	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	538.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	3.7
57.07067	0.7
65.03947	1.0
67.05503	4.9
69.03425	1.3
69.07070	4.7
71.31680	1.1
73.04749	1.5
79.05486	4.5
79.36322	0.6
81.07056	16.2
83.04970	0.8
83.08599	2.1
85.06552	1.1
91.05426	4.7
93.07037	10.7
95.04962	1.6
95.08605	19.6
97.06528	3.5
97.10147	2.2
99.08100	1.6
105.07021	11.0
107.04973	0.9
107.08591	20.0
109.06516	5.8
109.10152	7.5
111.08056	3.2
113.05965	0.7
114.05105	0.6
117.06994	2.1
119.08573	22.6
120.08912	0.9
121.06519	7.8
121.10134	11.0
123.04440	0.8
123.08038	3.1
123.11711	1.6
125.06023	0.7
125.09621	1.2
131.08563	7.1
133.10129	14.3
135.08046	4.0
135.11671	7.3
137.05957	1.3
137.09625	1.0
137.13199	1.0
139.07533	7.4
141.98837	0.7
143.08569	1.6
145.10133	8.7
147.08041	1.0
147.11678	27.2
148.12057	0.8
149.09587	3.0
149.13245	2.6
151.03914	2.8
151.07516	2.6
152.04294	1.2
157.10060	1.2
159.11710	4.8
161.09641	1.2
161.13184	3.9
163.07521	1.0
163.14835	5.4
167.05537	0.9
167.06978	1.1
171.11711	1.3
173.13237	2.8
175.14857	1.9
177.12785	3.2
177.16373	23.7
178.16623	1.1
187.14824	30.0
188.15181	1.0
189.12756	1.0
189.16371	16.8
190.16687	0.7
191.14400	3.1
191.17955	0.9
192.14615	0.7
205.15875	100.0
206.16228	4.4
207.17409	3.6
215.14322	1.3
217.15874	3.1
223.16917	11.9
233.15385	9.3
235.16920	27.6
236.10114	0.8
236.17250	1.4
251.16411	38.7
252.16763	2.2
253.17914	1.0
268.99524	0.7
269.17468	38.8
270.17719	1.9
299.06134	2.3
300.06149	0.8
301.05945	2.5
346.97345	1.1
485.32263	2.1
503.33871	0.9
514.58136	0.7
521.30359	0.7
538.30786	8.9
539.31873	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	538.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46323	3.2
53.03943	5.1
55.05509	21.7
57.90752	3.2
59.04982	3.3
65.03951	4.1
67.05502	32.5
69.07064	27.1
69.78220	9.0
69.78609	8.6
73.04750	8.7
79.05486	23.4
81.07056	67.2
83.04962	5.2
83.08626	8.0
85.02944	4.2
85.06544	12.2
91.05394	29.2
93.07042	65.1
95.04972	15.5
95.08601	100.0
95.09215	5.2
97.06544	12.7
97.10168	8.4
99.08091	4.0
104.10769	4.9
105.07027	77.1
107.08595	89.9
109.06513	7.6
109.10160	55.2
111.08070	4.4
117.07026	14.2
119.08577	100.0
120.08923	5.4
121.06554	5.0
121.10145	71.3
123.04446	5.2
123.08066	8.4
123.11686	23.2
125.09601	4.3
129.07025	5.7
131.08566	42.5
133.10123	89.5
135.08028	6.3
135.11688	60.8
137.06032	7.7
137.09671	6.7
137.13286	12.5
143.08585	20.7
145.10100	43.9
147.11688	45.6
149.09589	5.5
149.13258	23.2
151.03848	21.2
151.07515	6.9
151.14801	6.4
157.10146	20.7
159.08089	4.7
159.11702	57.0
161.09648	11.3
161.13266	52.9
163.07581	5.4
163.11176	22.8
163.14818	22.9
167.05586	9.0
167.06998	9.5
168.05672	5.4
169.10063	10.3
171.11670	19.5
173.13234	23.8
175.11185	13.5
175.14827	22.8
177.09169	4.2
177.12798	23.1
177.16382	10.5
179.14409	6.8
181.10074	5.3
183.11752	11.2
185.13242	29.5
187.11156	6.2
187.14806	22.0
189.12762	35.0
189.14212	3.7
189.14769	4.4
189.16353	36.4
191.10696	5.3
191.14259	4.0
191.17940	69.6
193.15891	5.3
197.13217	9.2
199.14845	7.7
201.12807	11.8
201.16403	10.7
203.14313	16.2
203.17944	43.2
205.12282	12.0
205.15918	8.7
205.19444	4.2
207.13831	8.2
207.17393	18.4
211.14873	4.2
213.16409	8.5
215.14461	6.7
215.18062	4.8
217.12244	9.8
217.19461	7.9
219.13809	16.5
227.17767	8.6
229.15875	6.1
231.13867	7.6
231.17456	5.8
231.21133	5.8
235.13205	5.2
239.17902	6.7
241.19537	5.6
247.13203	5.2
251.20100	5.9
253.19461	6.3
285.18619	5.0
299.06107	10.9
300.05984	5.3
301.05978	15.9
302.05789	4.0
346.97412	4.6
352.00803	4.1
367.30020	4.9
391.29883	9.8
393.31357	6.6
409.30896	44.0
411.32678	7.5
421.31070	4.2
427.32114	30.7
428.31775	4.4
430.33240	4.3
438.87936	3.7
439.32324	8.1
455.31427	5.0
467.31741	5.4
473.32257	8.4
485.32394	8.4
538.30847	40.9
538.37744	25.4
539.31171	63.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.212
Annotation	Mallophenol B
Peak:m/z	Relative Intensity
51.02384	1.5
53.03921	1.8
55.01863	1.7
55.05513	3.2
56.82121	1.3
64.76130	1.3
67.05503	5.3
69.03436	8.0
69.07074	2.6
69.86307	3.5
69.86700	2.5
70.06592	3.2
71.05000	2.1
76.65234	1.3
79.01859	2.8
79.05486	5.8
81.03426	7.5
81.07059	6.7
85.02889	7.6
91.05491	5.8
93.07041	18.6
95.04984	1.9
95.08596	8.1
97.02901	5.8
97.06561	1.9
98.25735	1.4
99.04450	2.1
99.08079	1.7
102.18091	1.3
102.41926	1.5
105.07048	9.3
107.01320	2.7
107.08595	18.0
109.02894	5.9
109.06519	4.1
109.10168	2.8
111.08167	1.5
117.07014	2.1
119.08583	10.7
121.06513	6.2
121.10133	15.1
123.04486	1.6
123.08073	10.1
125.02354	4.3
127.03931	8.6
131.08607	1.7
133.10123	5.7
134.10504	1.6
135.08058	14.3
135.11696	12.7
137.06012	8.9
137.09598	9.0
143.03394	5.0
145.04900	1.6
145.10152	3.9
147.08044	6.0
147.11687	5.0
149.06052	2.3
149.09607	9.4
151.03885	3.0
151.07579	3.4
151.11206	3.0
153.01825	100.0
154.02159	2.8
159.11716	1.8
161.13315	4.2
163.07555	2.3
163.11189	11.6
165.09096	17.1
165.12698	2.5
167.07071	4.5
167.10687	3.8
171.02791	7.7
171.11743	2.4
177.05455	2.6
177.12766	4.7
181.12221	34.5
186.27330	1.3
189.09189	3.4
189.12726	7.8
191.10558	1.7
201.09184	1.4
205.08820	1.4
207.13786	14.7
213.09343	1.5
219.10228	4.2
221.11888	1.4
225.14827	32.0
227.16350	1.9
228.16791	2.3
263.09073	2.1
297.06177	5.9
305.96396	1.6
315.07190	10.1
325.14417	2.3
329.51157	1.5
334.63193	1.8
383.56580	1.4
539.17230	1.8
544.28876	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.9
55.01873	1.5
55.05527	1.5
57.58252	0.7
67.05497	1.4
69.03439	3.5
69.07073	1.5
70.06595	0.9
71.04997	2.5
71.35521	1.8
79.01855	3.2
79.05493	2.4
81.03421	8.1
81.07063	3.2
85.02900	4.3
85.06539	1.3
91.05492	3.1
93.07045	3.9
95.04993	2.7
95.08612	7.1
97.02892	6.8
97.06552	1.3
99.04472	1.1
100.11320	1.4
103.05473	0.9
105.07028	5.2
107.01329	2.3
107.04961	1.8
107.08595	5.6
109.02874	5.5
109.06520	9.0
109.10180	2.4
116.55846	0.8
117.07026	1.3
119.08586	4.8
121.02901	1.0
121.06515	1.0
121.10153	2.2
123.08087	1.4
125.02383	3.6
127.03910	6.1
129.06993	1.4
131.04953	1.1
131.08604	4.0
133.10130	1.9
135.08080	3.4
135.11751	0.9
137.02342	1.0
137.05992	7.8
137.09625	3.0
138.02226	0.9
139.07593	2.7
143.03406	5.8
143.08594	2.2
145.04922	2.0
145.10147	3.2
147.04440	1.8
147.08083	1.6
147.11710	3.6
149.06097	0.9
149.09627	3.2
151.03944	1.7
151.07555	1.0
153.01828	100.0
153.02864	4.8
154.02170	2.3
156.09352	1.4
159.08084	1.8
159.11674	3.4
161.05968	1.1
161.09605	1.3
161.13235	1.8
163.07529	1.6
163.11169	1.1
165.09178	2.0
167.07071	2.2
167.10632	0.8
167.14294	0.8
171.02908	10.8
171.11726	2.8
174.06813	0.9
175.07497	1.2
177.05568	1.3
177.12819	3.1
179.06830	0.9
181.08598	1.3
181.12302	0.9
189.09160	3.1
189.12727	9.8
191.10800	1.5
207.06505	0.9
207.13792	19.7
208.14136	1.3
219.10165	2.0
221.93515	0.9
225.14922	2.8
293.13742	1.1
297.06116	7.6
315.07190	5.9
325.14197	1.9
332.77197	0.8
415.45026	0.8
539.20251	2.4
539.42059	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
60.33093	1.8
61.00549	1.9
65.03936	2.2
66.62727	2.2
69.03413	8.6
69.03841	10.6
72.43828	1.6
73.04797	2.0
79.05502	5.6
81.07045	1.9
91.05450	13.6
93.07026	3.8
94.04176	3.7
95.04966	4.3
101.31746	1.8
103.05463	4.0
105.07024	5.9
107.04953	8.0
107.08619	2.7
109.06513	2.4
111.04447	2.3
115.05469	3.9
117.07005	4.4
119.04916	7.7
119.08552	1.9
121.02890	2.4
121.06499	7.2
122.03665	8.8
123.04462	2.5
125.58278	1.8
129.07005	5.4
131.04909	5.1
131.08499	2.1
133.06429	2.1
135.04425	2.4
135.08015	4.5
137.05974	100.0
138.06285	2.4
143.04944	2.0
145.06453	5.3
146.03612	3.4
147.04462	4.9
147.08038	2.1
149.05989	7.4
151.03893	8.1
151.07541	39.1
153.01825	5.6
153.05426	3.2
157.06444	3.1
160.05182	2.4
161.05975	41.7
161.09596	5.4
163.07507	15.6
165.06982	4.3
165.09102	5.7
166.07718	2.7
167.07033	11.5
167.08420	2.7
168.07373	2.5
174.06775	3.7
175.07538	25.4
177.07031	1.8
177.09146	5.4
178.07780	2.5
179.03366	1.9
179.08566	2.5
181.04976	4.1
181.06572	2.3
182.07317	2.4
187.07538	2.7
189.05519	2.3
189.09116	23.4
191.07008	1.9
191.85555	2.0
194.07195	6.2
195.08308	3.2
195.10150	17.0
199.07529	2.8
204.13359	2.0
205.06473	2.6
207.08171	3.1
207.10194	12.2
210.06723	3.0
211.07610	2.9
213.09299	1.9
219.07983	3.1
219.10106	4.5
220.08873	2.5
221.05930	6.0
221.09645	1.9
222.06778	4.0
223.07585	2.3
227.07022	3.0
233.05823	2.9
235.07497	3.2
236.08209	2.8
237.09204	8.9
239.06900	2.2
247.07603	3.5
249.05168	2.4
249.09081	5.3
250.06232	2.6
251.06978	3.8
251.10799	3.6
253.08597	6.9
259.09744	2.8
261.09018	3.4
262.23505	1.8
264.07800	2.0
265.08585	17.7
266.09207	3.2
267.10120	4.8
269.08084	4.2
277.08563	8.0
277.11880	2.6
278.09085	2.4
279.10214	4.5
281.08139	4.2
281.11783	2.5
282.09183	2.6
283.09653	7.1
285.11209	9.8
287.12976	2.4
293.07993	2.3
295.09665	6.2
296.10287	2.8
297.11234	21.4
299.12631	4.8
309.11389	5.3
311.12878	18.1
315.12637	8.7
317.13867	4.0
323.12756	6.4
337.14359	20.6
341.13876	3.9
349.14194	4.3
355.15399	21.7
367.15436	10.8
459.17859	2.5
461.19772	3.9
479.20450	4.9
509.21411	3.7
539.17426	6.6
539.28168	4.4
540.27911	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.3
55.01857	3.7
60.49453	2.0
65.03934	3.5
69.03412	2.4
69.70374	7.7
76.42434	1.6
79.05499	10.0
81.07094	2.2
91.05456	14.1
93.07037	4.0
94.04207	3.5
95.05023	1.9
103.05466	21.8
105.07042	11.4
107.04955	45.1
109.02912	2.3
109.06509	3.0
109.10151	2.5
115.05457	8.5
116.06250	4.7
117.07019	3.7
119.04916	4.5
119.08582	2.3
121.06512	5.3
122.03640	6.2
122.61518	2.3
123.04432	4.0
129.06989	3.7
131.04913	12.2
131.21230	2.0
133.06487	5.1
133.10077	2.2
135.04387	3.7
135.08032	13.1
137.05972	100.0
137.09610	2.5
138.06285	2.6
143.04898	4.2
144.05717	6.5
145.06468	4.4
147.04395	4.4
147.08076	4.4
149.05986	6.7
151.03949	10.8
151.07542	27.8
153.01817	3.2
153.05508	2.9
157.06429	2.4
160.05156	3.1
161.05975	41.8
161.09598	7.9
163.07544	55.7
165.09100	6.5
167.07030	8.1
169.06534	2.4
171.04352	3.3
174.06732	3.0
175.07509	22.2
176.04665	2.9
176.08313	3.3
177.05466	6.7
177.09105	5.2
179.07013	2.9
181.04996	10.8
181.06317	2.2
181.08591	16.0
187.07481	2.5
189.05518	9.8
189.09079	10.0
190.06241	5.9
191.07008	7.0
193.08633	2.0
194.07262	1.9
195.10104	10.8
199.07739	2.2
203.07016	16.9
204.07802	33.1
205.06490	4.1
205.08296	2.4
207.08197	3.4
207.10168	11.5
217.08578	13.7
219.08070	2.1
219.10109	4.5
221.06023	3.6
222.06712	2.6
224.08438	2.0
225.09167	3.4
231.08125	2.3
234.06934	3.1
235.07579	2.1
237.09154	5.4
239.06964	2.4
249.09070	2.2
251.07037	3.4
253.08759	2.5
263.10544	2.4
265.08548	9.2
266.08990	2.0
267.10187	3.9
277.08615	5.4
279.10306	5.3
281.08154	2.7
283.09656	2.4
285.11276	5.3
291.10196	4.6
295.09665	5.6
296.10443	2.1
297.11169	10.3
301.05859	2.5
305.11716	3.3
307.09653	3.1
308.10358	2.7
309.11130	5.8
311.12756	7.9
313.10919	1.9
315.12323	4.9
317.13965	3.7
321.11243	4.1
323.12820	7.4
335.12863	3.2
337.14273	7.5
340.13052	7.9
341.13846	25.7
343.15335	2.3
349.14539	2.6
353.13745	6.9
355.15457	9.3
357.13324	5.9
367.15475	5.8
461.20123	2.2
491.20612	4.6
503.20773	2.9
509.21558	8.9
521.21552	8.1
539.20117	7.7
539.27960	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	3.6
57.03415	2.4
61.01260	2.2
65.03947	2.8
69.07153	11.4
69.07583	10.9
69.77337	2.3
79.05489	5.1
81.07053	6.7
91.05487	7.3
93.07020	2.7
94.04175	4.8
95.04950	4.2
98.09685	3.1
100.11248	6.0
103.05496	2.3
105.07039	7.2
107.04968	4.1
109.06478	4.9
109.10199	4.7
115.05451	3.4
117.07013	4.9
119.04934	5.2
121.06516	3.9
121.10126	2.7
122.03625	7.8
123.08028	3.0
129.07014	4.7
131.04893	2.3
133.06487	2.5
135.08008	3.9
137.02406	2.5
137.05969	100.0
138.06348	3.7
145.10057	2.4
147.08078	2.5
149.05914	4.1
149.09575	2.5
151.03922	7.3
151.07535	36.8
153.01831	11.9
153.02951	2.3
153.05412	3.8
161.05988	11.7
161.09567	6.3
163.07475	6.2
165.07008	2.7
165.09056	5.3
167.05511	2.9
167.07013	6.4
169.32358	2.2
170.15419	6.3
175.07547	6.7
177.09108	6.9
178.72772	2.4
182.15453	3.9
189.09117	8.7
191.07095	3.2
194.07262	3.4
195.08319	4.3
195.10150	24.2
198.14951	8.0
205.06468	2.8
207.08167	2.9
207.10034	2.9
209.09537	3.0
209.16530	2.5
210.06706	2.4
210.14902	4.6
221.06013	4.6
225.09158	3.9
226.14355	3.5
234.06802	3.5
237.09042	4.9
248.08510	2.5
249.09058	3.9
265.08572	15.3
269.07910	3.1
277.08557	5.8
283.09558	5.3
285.11169	14.9
297.11182	24.0
301.05875	2.5
305.11624	2.6
311.12827	10.6
313.10709	4.1
317.13928	3.6
323.12573	3.6
337.14462	3.0
341.14032	3.4
342.27731	3.0
343.15616	2.5
424.31482	4.2
459.18137	2.7
461.19507	4.3
479.20294	8.7
495.31213	2.7
495.40073	2.3
539.29114	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	539.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.4
55.05497	0.9
57.07068	0.8
58.41959	0.3
67.05499	1.8
69.03425	0.4
69.07063	0.7
71.08624	0.5
72.63276	0.2
74.21931	0.2
79.05490	0.8
81.07065	1.7
83.08614	0.9
85.02939	0.4
91.05479	0.9
93.07051	1.1
95.04965	0.4
95.08595	1.3
95.43105	0.3
97.10164	0.7
101.06059	0.3
105.07057	0.3
107.08579	0.6
109.02859	0.7
109.10177	0.9
110.63263	0.2
111.04440	0.6
119.08589	0.5
121.10144	0.5
123.11731	0.3
126.83416	0.3
131.08551	0.4
132.99660	0.3
133.10106	0.5
135.11652	0.3
137.09628	0.4
141.68660	0.3
144.00186	0.3
145.06479	0.3
146.32356	0.3
147.11690	0.3
185.04237	0.4
187.14594	0.3
195.55467	0.3
203.05272	0.6
209.11711	0.3
229.26205	0.3
239.23688	0.7
259.08142	0.3
283.08945	0.3
283.15320	0.3
313.27448	0.3
418.45465	0.3
431.31674	0.3
539.31873	100.0
540.32233	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	539.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.5
55.05508	1.4
57.03440	0.3
57.07073	2.0
65.03949	0.4
67.05507	3.4
69.03441	1.0
69.07071	1.2
71.05006	0.3
71.08627	1.2
71.31635	0.3
71.32001	0.4
73.02915	0.8
75.31218	0.2
78.50126	0.2
79.05503	1.4
81.03421	0.4
81.07065	3.4
83.04983	0.7
83.08618	1.7
85.02907	0.6
85.06571	0.2
85.10191	0.7
91.05498	1.0
92.84168	0.2
93.07023	1.4
95.08607	3.2
97.02889	0.4
97.06522	0.3
97.10162	1.2
99.04467	0.2
105.07030	0.7
107.08604	1.3
109.02895	0.8
109.10185	1.5
111.04446	0.7
111.08067	0.3
113.06068	0.2
117.07024	0.2
119.08614	0.7
121.10146	0.9
123.11727	0.6
125.09649	0.7
127.03941	0.4
129.51529	0.2
131.08562	0.7
132.99594	0.3
133.10130	0.6
135.11719	0.6
137.09656	0.2
138.14815	0.2
141.51849	0.2
142.09984	0.2
145.10139	0.7
159.11697	0.4
172.99144	0.3
185.04211	0.2
187.90392	0.2
189.11208	0.6
191.00020	0.5
191.10789	0.3
209.11748	1.9
221.22575	0.2
227.12996	0.4
239.23705	1.4
251.20140	0.8
261.22168	0.2
269.21136	0.3
279.23303	0.5
283.15402	0.5
313.27466	0.9
431.31656	1.0
449.32474	0.2
458.59506	0.3
479.32419	0.2
539.31921	100.0
540.32208	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	539.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.5
67.05509	0.8
69.07087	1.4
69.59054	1.6
69.59455	1.4
71.42929	0.6
74.48477	0.5
79.05519	1.1
81.07048	1.4
91.05489	0.7
92.18152	0.5
93.05514	0.6
93.07055	1.4
95.08623	1.9
105.07031	1.6
107.08624	1.7
109.10179	0.7
111.08119	0.8
119.08606	2.3
121.10202	1.1
131.08662	1.0
133.10135	1.0
135.11682	0.8
139.07596	0.6
147.11729	1.4
178.16833	0.8
180.41267	0.6
187.14890	1.0
188.15286	0.7
190.16795	0.6
204.92390	0.6
205.15852	4.6
206.16342	2.4
235.17020	0.9
236.17384	0.8
251.16508	1.6
252.16820	1.4
269.17630	1.3
270.17935	1.0
299.06094	0.7
300.06247	1.1
351.21310	0.6
375.92865	0.7
476.94623	0.6
521.30475	0.8
539.15033	2.4
539.31958	100.0
540.32184	9.0
554.59973	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92441	0.5
55.05520	1.3
57.07070	1.0
58.06603	1.5
67.05505	1.9
69.07069	1.3
70.01056	2.0
71.08637	0.6
79.05502	0.9
81.07081	2.1
83.04998	0.7
83.08639	1.0
91.05437	0.7
93.07039	0.7
95.08620	1.8
107.08600	1.1
109.10186	0.7
111.08103	0.5
121.10175	0.9
131.08636	0.9
145.10109	0.7
175.14827	0.6
191.10439	0.5
215.29372	0.5
218.53412	0.6
236.15025	1.6
262.63477	0.6
278.16055	1.8
539.35590	100.0
540.35699	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	539.355
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63681	0.3
54.15788	0.3
55.05507	0.6
65.03942	0.4
67.05504	0.8
69.07079	0.5
69.94883	1.4
79.05493	0.8
81.07059	1.1
83.08629	0.6
85.06560	0.3
87.77336	0.3
87.85072	0.3
91.05442	0.5
93.07052	0.9
93.16575	0.3
95.08630	1.2
98.23282	0.4
105.07030	0.9
107.08582	0.9
109.06445	0.3
109.10180	0.7
112.62054	0.3
116.18246	0.3
119.08601	0.5
121.10158	0.8
125.09657	0.4
131.08563	0.4
133.10165	0.7
133.86641	0.3
145.10172	0.6
147.11729	0.4
149.13271	0.3
159.11780	0.4
161.13385	0.3
164.35176	0.3
167.05540	0.4
171.11676	0.4
175.14803	0.5
187.14896	0.3
200.40225	0.3
205.66800	0.3
224.06953	0.3
229.09183	0.3
243.91960	0.3
301.06335	0.5
328.04935	0.3
360.24054	0.4
435.32468	0.4
521.33679	0.3
539.35565	100.0
540.35883	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	539.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.4
56.96556	0.4
60.08167	0.6
67.05509	2.7
69.07088	1.2
69.73750	0.3
71.04997	0.5
71.07366	0.4
71.31905	0.4
75.62238	0.3
79.05508	1.7
79.55815	0.4
81.07059	2.4
83.04965	0.4
83.08625	1.0
86.09689	2.0
87.03960	0.3
91.05500	1.3
93.07047	1.9
95.08601	2.2
97.06543	0.7
97.10158	0.4
103.05516	0.7
104.10747	8.8
104.11385	0.7
105.07036	1.5
107.04961	0.5
107.08620	1.6
109.10184	1.1
111.08094	0.6
119.04938	0.7
119.08627	1.1
121.10182	1.0
123.11732	0.4
131.04976	1.2
131.08598	0.5
133.06523	0.4
133.10187	0.9
135.08072	0.5
135.11705	0.6
137.05998	0.9
139.07532	0.5
145.10175	0.8
146.98189	0.9
147.11740	0.5
149.09682	0.6
151.03873	0.5
151.07625	0.4
159.11780	0.8
162.29633	0.4
163.07597	0.4
163.11194	0.8
166.07816	0.3
167.10771	0.3
176.58238	0.4
227.12814	0.6
279.23331	0.6
300.06436	0.5
333.17706	0.5
337.22293	0.6
351.18600	0.5
383.17703	0.4
425.96341	0.4
435.31348	0.9
450.25427	0.4
477.30655	0.4
481.23294	6.0
495.32605	0.5
521.29071	0.4
537.74152	0.4
539.35718	100.0
540.36304	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	540.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17873	0.4
53.03940	1.5
55.01858	1.0
57.03429	1.5
59.60348	0.4
65.03883	0.5
69.03426	4.4
69.41812	2.3
79.05492	4.4
81.07032	0.5
85.02901	3.5
87.04452	3.1
91.05466	0.8
95.04967	2.1
97.02898	4.0
98.22588	0.5
103.03915	1.2
105.04560	0.6
105.07008	0.5
107.04951	100.0
108.05280	2.7
115.03909	3.6
117.06952	0.5
119.04927	1.1
121.06512	2.1
123.04411	0.9
131.04926	5.5
132.05232	0.6
133.04968	4.1
137.05998	1.7
138.06418	0.5
145.05005	0.9
145.06458	1.0
149.05975	1.8
151.03905	0.7
161.06010	1.0
167.07027	0.9
173.05984	3.3
175.07535	0.6
181.05026	0.7
191.07028	4.3
203.06964	0.5
207.43289	0.4
221.11722	0.8
239.09187	0.5
247.67674	0.4
252.14085	0.5
322.04013	0.4
540.21515	1.5
540.29053	0.7
541.30139	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.5
53.03951	1.5
55.01859	1.0
57.03450	1.4
61.02918	1.1
65.03918	0.3
69.03432	3.2
71.15541	0.5
73.02917	6.2
77.03915	0.7
79.05496	5.9
81.03408	0.9
81.88488	0.3
83.69239	0.2
85.02908	6.0
87.04449	0.5
91.05476	9.1
93.07041	0.4
95.04940	1.3
97.02892	4.9
99.04464	0.6
103.03954	0.5
105.04482	0.7
105.07037	0.6
107.04957	100.0
108.05289	2.3
109.02848	0.5
115.03953	2.5
117.07065	0.4
119.04979	1.7
119.08553	0.5
121.06494	2.5
123.04469	0.5
127.03902	1.6
131.04910	2.9
133.04955	2.1
133.06517	1.0
135.04416	11.1
137.05978	2.1
145.04991	2.1
145.06456	1.7
147.04433	0.6
147.08029	0.8
149.05984	2.8
151.03909	0.5
151.07455	0.3
153.01802	0.5
153.05464	0.6
161.05931	1.4
163.06143	0.5
163.07515	0.7
167.07033	2.5
167.08308	0.4
173.05991	1.5
175.07581	1.0
177.05466	0.4
185.05904	0.3
191.07047	3.4
193.08620	0.3
203.07062	1.9
221.08141	1.6
223.06001	0.4
229.08754	0.6
239.09198	0.3
241.06956	0.4
281.11914	0.4
343.15430	0.4
359.39096	0.3
540.22705	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20945	0.6
55.01847	0.6
68.63412	0.5
69.07041	1.1
69.21841	4.4
73.50279	0.5
76.43233	0.6
81.03360	0.7
85.02879	1.3
91.05453	0.8
93.06996	1.7
97.02840	0.8
103.05420	0.7
109.02843	1.7
121.10072	1.0
122.05975	0.8
137.05974	7.9
140.07031	1.1
143.08513	1.1
145.06445	2.4
145.10081	1.7
146.05988	1.0
149.05870	0.6
151.03873	1.0
151.07483	1.6
152.07079	2.4
153.05460	4.5
156.10114	0.8
158.07356	0.6
167.07068	3.6
169.04913	2.0
171.07954	1.5
173.09586	2.5
176.10692	0.9
177.09134	1.3
179.51529	0.6
181.08611	1.0
188.08310	1.1
192.06573	0.7
194.08075	2.0
201.09048	0.8
202.08665	0.8
203.10645	4.0
205.08574	0.6
205.10339	0.7
205.12236	12.6
209.10710	1.2
210.11424	0.6
219.10133	0.9
221.11845	3.3
223.12300	1.7
225.10229	3.1
226.11023	0.7
228.74124	0.6
235.08691	2.8
236.09407	2.2
236.12833	0.6
237.10210	8.0
238.10870	3.1
239.11771	1.2
240.12396	0.8
249.10213	9.2
250.11015	5.5
251.08112	1.3
251.11778	11.8
252.08917	0.9
252.12437	2.5
253.07204	1.0
253.09717	17.6
253.12514	1.1
253.13428	0.7
254.10110	1.9
261.10175	0.9
262.10889	0.8
263.11780	2.0
265.09705	16.8
266.10303	2.4
267.11258	6.9
267.13977	1.1
268.11948	1.6
269.12814	0.6
277.09796	4.0
278.07364	0.8
278.10452	7.9
279.07693	3.2
279.11234	17.2
280.08545	1.2
280.11816	5.7
281.09543	0.9
281.12784	2.1
282.13321	0.6
283.10681	0.9
285.12085	0.8
291.11227	0.7
293.09195	7.9
293.12799	7.1
294.09839	2.5
294.13321	0.9
295.10745	5.2
295.14386	3.6
297.12326	4.8
299.13657	1.1
306.09802	1.0
307.10645	2.9
308.11420	1.5
309.08868	1.2
309.12177	5.7
311.10162	3.2
311.13882	3.0
312.11038	15.2
312.14529	0.6
313.11359	1.2
323.13959	1.3
324.10999	3.4
324.14481	1.1
325.11798	11.5
326.12408	0.8
327.13364	59.7
328.13834	4.2
335.10132	4.9
336.10712	1.2
337.11810	4.1
339.13382	88.3
340.13834	7.7
341.14835	1.0
343.15451	2.6
349.12054	0.8
352.10660	1.4
353.11304	11.4
354.12039	1.6
367.12875	92.9
368.13434	13.9
369.14352	5.0
385.13986	6.7
399.15512	11.1
400.15781	0.8
401.17386	1.2
476.18164	3.1
480.21362	2.9
508.20782	100.0
509.20993	9.1
540.23016	6.0
541.22711	0.8
541.29926	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	540.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94280	1.0
69.17918	2.6
69.18320	6.5
79.05443	1.4
83.00471	0.9
85.02869	6.7
91.05469	10.4
91.66286	1.0
94.04184	1.8
95.04951	2.3
103.05472	1.3
104.25500	1.0
105.07010	2.4
105.87316	1.0
107.04966	2.3
109.06533	1.8
115.05493	1.1
119.04933	11.2
121.06503	2.1
122.03665	2.8
126.19071	1.0
128.06224	1.8
129.07014	7.3
131.04933	2.7
131.08546	2.0
133.06487	1.5
135.08063	3.5
136.05197	1.6
137.05975	47.2
141.07056	1.1
145.04973	1.0
145.06503	1.5
149.05978	6.6
151.03966	1.4
151.07536	62.7
152.07855	1.5
157.06451	7.6
161.05960	6.3
161.09651	1.8
163.07516	13.8
164.07947	1.3
165.07039	1.9
165.09137	2.6
167.07219	1.7
167.08569	6.7
174.06781	4.8
175.07562	4.3
177.09151	3.1
178.07755	1.8
181.06416	1.0
185.59129	1.1
189.09102	24.2
193.06541	1.3
193.10193	3.3
195.08055	11.6
207.10156	3.8
209.09648	2.5
210.06760	1.8
211.07574	1.4
212.08264	3.1
219.10112	9.0
220.08803	1.5
221.05968	3.9
221.09657	4.6
223.07524	6.6
224.08186	1.0
225.09152	4.9
227.07152	1.3
227.10681	19.2
237.09033	1.6
238.06323	2.1
240.07841	1.1
244.38388	1.4
249.09113	2.4
253.08611	9.9
253.12236	8.3
255.10130	16.4
267.10132	4.0
269.08115	1.2
272.10522	1.8
281.11642	3.2
284.10382	2.1
285.11209	11.5
287.12756	40.1
288.13171	1.5
313.14331	37.0
314.14542	2.4
331.15366	100.0
332.15729	5.7
343.15323	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81885	0.9
55.01860	0.9
65.03944	0.9
69.03416	2.7
70.59669	1.6
70.59998	0.8
79.05482	1.3
81.03400	1.5
85.02906	8.8
91.05481	9.2
94.87023	0.8
95.04976	2.8
96.89149	0.8
97.02882	2.8
103.05478	2.0
105.07016	1.1
107.04933	2.8
109.02876	1.2
109.06521	1.5
111.04430	0.8
117.07019	1.4
119.04968	7.2
121.06495	1.7
122.03641	1.6
127.03911	2.1
128.06239	1.4
129.06984	5.5
131.04910	3.3
131.08551	1.3
133.06430	1.2
135.08011	1.9
136.05206	1.2
137.05977	40.6
138.06303	1.3
145.04933	1.0
145.06483	1.8
148.05229	1.0
149.05968	6.0
151.03917	1.7
151.07535	52.4
152.07867	1.4
152.94289	0.7
153.01807	2.2
153.07008	0.9
157.06461	6.1
161.05968	6.8
161.09616	1.8
163.07545	12.6
164.08051	0.8
165.06978	2.2
165.09126	2.0
167.07204	1.3
167.08510	5.0
169.06451	0.9
174.06721	3.6
175.06117	0.7
175.07455	3.5
177.09081	4.9
178.07722	1.5
179.08429	1.0
189.09090	18.6
190.09497	0.9
193.06482	1.9
193.08485	1.0
193.10095	3.6
195.08055	12.0
197.05908	1.2
206.07191	0.9
207.08205	1.2
207.10158	3.4
209.09540	1.7
210.06749	1.6
211.07523	1.4
212.08295	2.4
221.06104	4.4
221.09650	4.7
222.06514	1.0
223.07516	6.1
224.08286	2.4
225.09045	3.8
227.10686	15.2
231.92349	0.8
237.09076	0.9
238.06281	2.1
239.07042	0.8
240.07782	1.5
241.12245	0.9
249.09091	2.6
253.08553	6.0
253.12291	6.4
254.09222	1.0
255.07254	1.0
255.10138	16.5
267.10217	3.4
269.07962	2.6
270.08789	0.9
272.10416	1.4
281.11685	3.2
284.10394	0.8
285.11234	10.4
287.09650	1.7
287.12781	29.1
288.13040	1.9
297.11032	0.8
298.11871	1.7
299.12799	1.7
301.14200	0.8
311.12939	1.7
313.14340	27.2
314.14642	1.5
325.10849	1.4
330.60220	0.7
331.15378	100.0
332.15826	6.1
339.13211	0.9
343.15439	3.2
439.17114	0.9
541.18768	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	540.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32925	0.3
55.01873	0.6
57.03417	0.5
61.02913	0.7
65.78202	0.3
66.43304	0.3
66.49786	0.2
69.03430	1.5
70.06565	0.4
71.32398	0.3
71.32829	0.5
77.69598	0.3
81.03395	0.8
85.02901	4.7
91.05462	0.8
91.68167	0.3
93.07018	0.3
97.02873	1.6
99.04416	0.5
103.05457	0.3
105.07034	0.3
107.08609	0.4
108.91464	0.3
109.02869	0.7
115.05427	0.9
117.07037	0.4
127.03893	1.1
128.06204	0.7
129.06999	5.2
131.04932	1.2
131.08554	6.9
135.08040	0.8
137.05977	1.9
139.03903	0.6
141.06981	4.4
143.08534	0.5
145.04979	0.9
145.06483	1.0
146.07260	0.8
151.03893	0.4
153.01814	0.6
157.06477	4.5
158.07249	2.2
159.08049	5.3
160.05199	0.6
160.08353	0.3
161.05943	0.6
161.09619	0.6
162.07600	0.9
163.07552	1.2
169.06474	2.5
169.07710	0.4
170.07268	1.3
173.05959	0.5
174.06757	12.9
175.07536	2.5
177.09116	0.4
180.08705	0.7
181.04941	1.4
186.06767	2.8
189.09096	23.6
190.09480	0.8
191.06990	0.3
191.10709	2.2
201.09105	7.8
201.11018	0.4
207.10187	0.7
219.10152	100.0
220.10471	3.2
237.11208	1.2
251.22520	0.3
348.96881	0.3
381.15430	0.4
382.09399	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51519	1.5
58.69691	1.4
69.03429	1.7
70.67460	2.8
70.67786	3.0
81.03416	2.0
85.02908	4.3
91.05489	6.1
92.43406	1.4
93.07005	2.2
95.04927	1.4
95.08609	1.5
103.05467	8.4
105.07029	2.4
107.04934	2.2
107.08565	1.8
117.07033	4.7
119.04911	5.6
121.06502	2.0
121.10126	1.9
122.03630	2.4
127.03896	2.0
129.06993	2.3
131.04918	16.0
135.08029	1.6
137.05968	25.2
147.04337	1.9
149.06006	3.8
151.07555	17.6
153.01900	2.1
161.06000	6.4
163.07544	36.5
164.08263	4.9
175.07564	3.8
177.09103	100.0
178.09427	4.0
179.57112	1.8
181.15871	2.0
189.09105	5.4
191.14359	3.4
195.08145	2.1
195.10139	3.5
205.08543	1.7
207.06570	2.7
221.11697	11.5
227.10648	3.1
253.12320	1.9
255.10117	3.2
287.12753	7.1
299.12634	2.0
306.27768	1.7
311.12393	2.1
313.14264	7.1
325.10800	3.7
331.15317	24.1
339.12936	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	540.244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	8.8
67.05510	8.3
69.03416	9.2
71.80430	6.3
79.05499	8.4
81.07079	8.1
85.02909	17.4
91.05460	42.5
91.14346	6.3
93.07044	10.3
99.04469	7.2
103.05496	16.5
104.79353	6.2
105.07042	9.6
107.04967	14.7
119.04910	37.7
119.08577	8.6
121.06484	6.6
121.10121	14.2
127.03249	12.2
131.04971	13.0
133.06502	8.3
135.08092	15.5
136.07300	5.9
137.06003	29.0
141.33217	6.0
147.04437	23.8
149.06035	12.2
151.07559	15.7
163.07524	13.8
164.08327	15.3
165.05559	8.1
165.09102	14.3
173.09689	6.8
177.09087	19.4
179.07016	100.0
181.80627	5.9
198.14922	8.3
205.08559	9.1
205.12309	21.3
241.08673	16.5
273.11014	14.8
311.16336	8.3
343.15472	39.6
410.11151	7.6
465.66528	7.0
496.32034	25.4
518.30188	7.1
540.28137	23.8
541.29919	72.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80764	2.2
57.02372	2.5
65.14299	2.4
69.03429	3.2
70.07841	8.7
78.69016	2.1
79.05492	4.2
81.07046	3.7
85.02899	2.9
91.05482	10.3
93.07034	4.2
93.14687	2.1
103.05476	8.4
105.07000	11.8
107.08598	7.6
115.05466	3.5
116.06241	2.5
117.06988	5.7
119.04948	3.2
119.08551	13.8
121.06486	3.4
121.10132	11.0
122.97978	2.4
127.03898	2.6
129.06973	6.4
131.04916	22.2
131.08592	12.5
133.10063	6.7
133.93796	2.5
135.08017	4.9
137.05957	31.4
143.08572	8.9
145.10130	9.9
147.04416	2.7
147.11679	5.8
149.06018	2.8
149.09550	3.4
149.13277	4.5
151.07526	13.8
153.01828	24.0
158.10902	7.5
161.05954	6.4
163.07545	42.5
173.13234	18.7
175.14851	3.8
177.09106	100.0
188.75662	2.3
189.05386	3.3
189.09116	4.6
191.14291	66.0
216.07637	4.9
221.11739	12.6
227.10802	4.3
255.10274	3.2
278.71326	2.7
285.11264	3.1
287.12833	7.4
313.14291	4.6
331.15366	16.4
343.15100	2.6
347.09616	2.9
354.08704	2.4
541.10638	4.7
541.18774	47.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.1
54.24131	0.8
54.54088	0.7
55.01872	2.6
55.05510	1.7
57.03437	2.8
61.02908	1.0
65.03949	3.1
67.05508	2.1
69.03425	4.1
69.07073	1.7
71.05007	1.4
78.18771	0.8
79.05482	4.7
79.18967	1.0
81.03421	1.9
81.07057	2.3
85.02909	7.5
86.09716	2.1
91.05485	47.2
91.92067	1.0
93.07053	3.8
95.04971	2.9
95.08607	2.2
97.02884	3.8
98.03255	0.8
103.05474	8.8
104.06247	0.8
105.07025	9.9
106.07404	1.2
107.04960	5.0
108.05737	1.4
109.02895	2.1
109.06526	2.4
109.10150	1.1
115.05463	1.3
117.07060	1.3
118.04124	2.2
119.04945	64.2
119.08578	2.0
120.05244	1.9
121.06507	2.8
121.10175	1.5
123.08076	6.3
127.03950	2.0
131.04918	5.0
133.06514	8.7
133.10106	1.3
134.03679	1.0
135.08060	3.6
136.05243	1.7
137.05998	12.5
147.04419	24.7
149.05983	10.9
151.03885	1.5
151.07533	15.9
153.01833	8.5
153.05421	2.0
154.02194	3.0
161.06052	1.7
163.07547	13.3
164.08340	18.8
165.05481	1.6
165.09125	8.8
179.07034	100.0
180.07492	2.4
181.15889	2.9
189.09018	1.2
193.08611	2.5
199.16966	1.3
203.10580	1.2
205.08661	5.0
207.10048	1.0
208.10623	0.9
219.10191	3.0
225.11259	2.8
226.11586	2.4
261.93283	0.8
343.15384	21.7
344.15897	1.8
496.31647	1.6
540.28754	3.1
541.29968	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	540.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.7
55.80902	1.5
67.05478	1.9
69.03410	1.6
69.06862	2.3
69.07260	14.0
73.02912	1.8
75.05692	1.6
81.03413	4.0
81.07040	3.4
84.18803	1.5
85.02904	3.7
91.05486	2.6
97.32777	1.6
135.11674	1.7
137.05997	2.2
143.08548	2.4
145.06509	2.0
145.10144	3.6
162.27283	1.5
165.06978	2.4
171.04417	2.1
171.07918	1.9
173.09569	4.6
177.09111	4.0
181.06509	3.2
188.08333	3.8
189.09058	3.7
190.07785	2.4
191.10712	2.6
195.04411	2.0
195.08015	3.6
196.20285	1.6
197.06004	1.7
197.09502	1.8
201.09096	2.3
202.09885	2.7
203.08849	1.6
203.10580	9.3
205.10371	3.6
205.12256	10.5
207.07993	2.0
208.08777	5.4
209.06087	2.7
209.09610	9.2
211.07472	3.7
212.08220	2.2
213.05475	2.5
215.10709	2.0
218.07274	4.0
221.05954	3.1
222.06573	2.0
222.10503	3.5
223.11102	12.1
225.09099	8.1
226.09879	3.6
227.03401	3.1
227.07089	2.9
227.10617	5.1
229.08510	3.1
233.09587	13.5
235.07555	6.4
235.11037	3.8
236.08286	5.0
237.05446	3.6
237.09085	5.5
239.07112	3.2
239.10591	2.9
240.11450	1.8
241.05022	5.1
241.12134	8.6
243.10109	3.9
250.09908	10.5
251.07021	4.0
251.10635	21.2
252.11523	3.5
253.08757	1.9
255.06474	6.7
255.13812	6.6
259.05930	3.2
261.09174	7.7
263.07162	2.4
264.07657	3.8
265.08212	2.0
265.09161	2.4
265.12210	42.4
266.12576	3.7
269.11801	4.4
271.09595	5.0
278.09442	4.8
279.10178	16.6
283.10208	1.5
283.13235	34.8
285.14783	4.5
293.11682	27.7
301.14322	7.9
311.12741	70.8
312.13095	4.9
325.14288	4.4
329.13806	100.0
330.14066	5.0
343.15210	7.0
516.17328	1.9
540.30560	2.2
541.29639	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	540.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.4
65.03943	2.9
67.05488	2.2
69.13737	11.5
69.14152	3.8
78.11639	1.5
79.05502	5.0
85.02914	2.9
88.37973	1.7
91.05486	44.9
93.07062	3.1
95.04962	2.5
97.02897	1.7
103.05456	11.5
105.07014	11.3
107.04970	7.0
107.08562	1.9
108.05732	1.8
109.06555	3.5
114.78439	1.6
118.04181	6.0
119.04941	60.0
121.06535	2.7
123.08098	6.8
131.04927	9.8
131.87521	1.8
133.06491	11.3
135.04504	1.8
135.08060	5.0
136.05228	2.1
137.06006	11.3
138.06410	2.3
147.04407	21.5
149.05959	7.3
151.03915	3.8
151.07524	17.7
152.07869	4.4
153.05449	2.4
163.07562	20.9
164.08337	13.4
165.05479	2.7
165.09148	11.3
175.07602	2.1
179.07042	100.0
180.07472	1.7
193.08617	20.2
194.08955	2.4
205.08572	10.0
219.10114	3.2
241.77757	1.5
331.32388	1.9
343.15479	23.5
541.29797	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	540.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.5
55.01869	3.4
57.03434	3.2
61.02904	1.9
69.03425	7.3
69.19515	14.1
71.05016	2.1
79.05478	7.7
81.03414	4.9
81.07058	2.9
84.13881	1.5
85.02901	20.0
91.05475	19.8
93.03419	1.7
93.07037	7.9
94.04221	1.6
95.04971	4.7
95.08648	1.8
97.02904	5.5
97.06548	2.0
103.05460	24.9
105.07043	11.7
107.04955	50.1
107.08592	2.3
109.02874	3.3
109.06541	2.8
109.10210	2.2
115.03940	1.9
115.05464	3.3
117.07018	1.8
119.04957	21.0
121.06499	16.5
123.04445	4.4
123.08049	6.9
125.06052	2.4
127.03954	4.1
131.04939	19.8
131.08612	1.7
132.01613	1.8
133.06500	8.2
133.10152	1.9
135.04385	1.9
135.08051	12.6
136.05159	2.3
137.05968	48.3
145.04935	3.1
145.06546	2.4
147.04401	32.9
148.05211	1.9
149.05974	31.5
151.03893	2.4
151.07533	27.6
153.01865	1.9
153.05470	23.8
159.08060	4.9
161.06049	4.4
163.07527	52.4
164.08345	18.4
165.05486	7.8
165.09143	4.6
167.07039	8.9
169.08681	2.3
175.07593	2.6
177.05461	2.5
177.09129	2.6
179.07025	83.5
180.07747	1.7
181.08603	44.5
181.10062	3.9
187.07529	19.6
189.09135	9.2
191.07005	19.4
191.10635	2.7
193.08630	2.0
197.08087	57.9
203.10735	2.6
204.07730	2.3
205.08589	4.4
207.10257	2.4
209.08057	3.1
219.10214	9.0
221.11533	1.8
223.09621	16.1
237.11226	43.6
239.09061	2.1
279.11337	2.2
280.11444	1.8
306.97211	1.8
315.12302	5.0
341.12445	1.8
343.15356	4.9
359.12872	2.0
361.16443	100.0
362.16803	6.4
385.14197	2.4
540.21338	6.8
540.28882	33.2
541.27692	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	540.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.4
55.01875	2.5
58.89437	1.8
65.03949	4.0
67.05490	2.5
67.80882	1.7
69.03425	5.2
69.07076	5.4
69.23230	1.5
70.14222	2.9
70.14616	3.3
71.04994	1.9
79.05508	4.9
81.03426	5.7
81.07060	6.1
83.05027	2.2
85.02908	17.1
91.05479	12.1
93.03408	5.2
93.07049	7.2
94.04161	2.6
95.04986	5.2
95.08623	2.0
97.02893	6.4
99.04454	3.8
103.05482	2.5
105.07034	15.3
107.04957	18.2
107.08604	3.7
109.02874	20.3
109.10185	3.6
111.04444	5.0
114.10335	2.1
115.10694	1.9
119.04966	5.8
119.08592	4.2
120.92474	1.5
121.02872	4.6
121.06522	8.8
121.10173	6.8
122.03651	3.6
123.04450	2.2
124.69334	1.5
125.02364	2.2
125.05958	9.9
127.03920	5.7
128.06209	1.9
130.07796	1.8
131.04924	3.9
131.08604	3.0
133.06494	7.0
133.10190	2.3
135.04388	8.5
135.08041	2.0
137.05975	82.0
138.03162	6.6
141.05446	10.3
141.07086	2.0
143.08539	9.2
144.42577	1.7
145.04942	4.5
145.06546	2.6
145.10132	3.1
149.06000	7.7
149.09660	2.6
151.03925	13.7
151.07550	31.5
152.04701	3.2
153.01837	33.1
153.05464	100.0
157.06404	2.1
158.07265	2.0
159.08061	5.7
161.05959	2.5
161.09508	1.9
162.06810	3.4
163.06111	2.1
163.07570	6.9
165.09100	14.6
167.03354	10.7
167.07034	65.3
168.07359	2.5
169.05005	16.8
171.02873	3.8
171.08051	13.5
172.08638	1.9
173.09615	4.9
175.07527	4.1
177.09134	6.4
179.07014	4.5
179.10675	5.9
181.08589	18.4
181.10161	18.1
187.07607	4.9
188.06886	2.3
188.08266	11.1
189.09119	3.7
191.10701	4.4
197.08191	2.7
199.11206	1.7
201.09135	16.7
203.10660	48.5
204.11119	3.1
205.08530	3.2
207.10112	3.7
209.11661	1.9
219.10179	16.9
221.11726	37.7
226.34596	1.8
237.11230	20.6
251.12833	2.6
279.10132	2.4
297.05972	3.1
311.12750	4.3
313.89545	1.7
315.07172	4.2
325.14600	1.9
327.13214	3.9
343.15387	62.7
344.15656	3.9
348.97031	1.8
361.16434	30.7
361.23431	2.6
379.24338	2.1
496.30533	1.9
508.20953	3.2
540.21179	28.1
540.28400	19.4
541.30066	36.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.4
55.01863	2.7
55.05492	2.4
60.22221	1.7
61.02921	2.5
63.54964	1.8
67.05502	2.1
69.03429	8.3
70.06590	2.6
71.05008	1.7
71.32996	3.0
79.05473	3.6
81.03397	3.5
81.07070	3.2
85.02904	19.0
85.06530	2.2
91.05463	12.5
93.07028	2.3
95.04954	4.2
95.08585	3.0
97.02890	7.9
103.05472	8.3
105.07017	8.1
107.04958	16.2
107.08590	4.0
109.02882	4.6
109.06483	2.7
111.04414	2.2
112.07581	2.1
115.05406	2.6
117.07011	6.5
119.04929	6.5
119.08572	3.3
121.02835	3.1
121.06499	7.9
121.10169	2.3
123.04422	6.5
124.05251	2.3
125.05985	2.5
127.03941	4.7
131.04918	8.0
131.08585	6.8
133.06523	4.6
133.10159	1.9
135.04355	1.9
135.08043	5.8
135.11691	2.0
136.05168	4.6
137.05969	35.6
139.07556	4.8
141.06978	2.2
145.05074	3.5
145.06487	15.6
145.10081	1.8
146.07298	4.1
147.04401	19.7
147.08014	4.9
149.06003	5.3
149.09601	2.7
151.03922	5.3
151.07538	31.6
152.07004	1.8
153.05479	3.7
159.08063	16.3
161.05928	19.9
161.13287	2.4
162.06689	3.2
163.07550	33.2
165.05449	4.8
165.09109	18.1
167.07001	6.7
175.07567	6.4
175.10960	1.8
177.05486	2.7
177.09103	14.8
178.09891	55.7
179.07025	16.5
179.14229	2.0
180.07813	5.3
181.08670	1.8
185.09749	4.4
187.07561	5.4
191.06958	8.3
191.10652	2.3
203.06995	5.3
204.07819	3.2
205.08578	28.3
209.11725	2.0
219.10130	16.7
230.82080	2.2
251.10477	1.9
253.08545	2.2
261.09103	2.5
263.06784	1.9
267.10251	2.6
268.10892	3.8
278.31149	1.9
285.11145	2.5
293.11661	3.5
299.12775	4.2
307.09564	4.7
310.11908	3.9
311.08994	2.0
325.10638	4.9
325.14276	13.8
327.15781	4.7
343.15387	100.0
344.15784	4.5
361.12625	4.7
361.16449	12.0
496.31897	2.9
541.30035	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	540.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	5.5
57.03434	2.1
57.07075	53.7
63.35345	1.4
67.01863	2.2
67.05497	9.5
67.32631	1.4
69.03440	6.7
69.07068	6.1
70.02249	6.4
71.01352	37.4
71.05000	2.8
79.05488	6.5
81.03428	1.4
81.07055	13.7
82.07365	1.5
83.01357	5.0
83.04996	4.1
83.08636	3.6
85.02898	3.7
85.06543	33.3
85.07058	2.0
91.05486	5.2
93.07052	6.1
95.04981	3.1
95.08595	8.4
97.06528	2.9
97.10160	1.7
105.07034	5.6
107.04918	2.3
107.08605	8.5
109.02900	1.8
109.06526	5.2
109.10159	6.2
111.04523	2.0
113.02393	2.0
113.06023	5.7
117.07067	2.2
119.08579	7.1
121.06483	2.3
121.10152	4.5
123.08062	4.8
125.06013	1.5
127.07550	100.0
128.07890	2.6
131.08565	2.7
133.10136	4.7
135.08023	2.3
135.11688	4.3
136.89078	1.4
137.06001	3.2
137.09633	2.8
137.13268	1.7
145.06442	1.8
145.10156	3.3
147.08049	3.4
149.09641	3.5
151.03995	1.4
151.07559	3.1
153.05487	1.7
153.09123	2.4
155.03392	4.9
157.10254	2.1
159.11726	1.8
163.11200	2.3
165.05544	2.0
165.09193	3.1
167.07050	1.6
169.08644	4.7
171.10249	2.0
176.60390	1.3
177.09155	1.8
179.07074	4.0
179.10675	6.1
189.09137	1.5
189.12753	2.1
193.08739	3.4
197.08159	2.0
197.11729	2.1
199.09674	5.6
205.12241	5.7
207.10236	6.0
209.23096	1.6
211.49184	1.4
219.10197	1.5
221.08052	4.8
221.42195	1.5
225.11259	5.4
235.13341	2.7
239.09125	10.2
253.10823	5.6
256.26294	2.6
261.11108	1.6
261.15005	3.3
263.09460	1.8
269.10172	16.6
278.00830	1.4
279.15875	2.3
305.13925	3.8
305.17496	4.3
311.29434	2.5
323.14838	14.7
335.14856	2.9
337.16388	4.3
349.16431	4.1
353.16006	12.2
373.16400	11.6
379.17761	3.0
391.17606	2.9
397.18317	1.8
403.17682	2.7
421.18915	1.9
459.32355	1.9
475.23120	3.6
497.28598	2.3
505.24554	5.6
523.26923	3.6
535.67932	1.7
540.28754	3.1
540.35730	4.7
540.53516	4.2
541.27716	3.5
541.35718	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	540.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.1
55.05502	6.1
57.03433	2.9
61.02919	2.8
61.93540	1.5
62.66680	2.1
63.26508	1.6
65.03944	2.4
67.05518	10.5
69.03435	8.7
69.07072	10.3
69.83446	5.8
69.83852	3.6
71.04988	12.1
72.60939	1.7
74.73940	2.0
79.05500	18.4
81.03419	6.9
81.07057	70.2
82.07394	3.1
83.08617	5.3
85.02904	33.8
85.06545	44.5
90.31555	1.7
91.05469	14.8
93.07047	20.4
94.03400	1.6
94.04179	2.1
95.04956	2.0
95.08610	34.1
97.02887	11.0
97.06525	3.1
97.10160	2.8
98.23241	3.3
99.04459	3.5
103.05514	2.0
105.07037	6.5
107.04946	2.8
107.08592	41.0
108.08930	2.2
109.02866	4.3
109.06547	3.3
109.10184	6.5
111.04448	4.7
111.08079	6.7
117.06989	1.8
119.04930	5.0
119.08604	3.1
119.34861	1.7
121.06506	2.7
121.10149	17.6
122.03621	3.6
123.04465	2.2
123.11773	1.9
125.06005	4.4
127.03938	8.5
129.06999	8.8
131.04929	4.8
131.08525	9.0
133.06451	4.0
135.11702	9.9
135.12660	1.6
136.82079	2.1
137.05981	100.0
137.13211	4.1
138.06332	3.7
145.04970	11.4
145.06493	2.0
145.10080	3.1
147.04425	23.9
149.06001	5.5
151.03914	10.9
151.07527	14.5
153.01830	3.2
153.05498	4.9
157.06500	8.5
159.08057	16.6
161.05927	2.6
161.13332	2.3
163.05997	4.6
163.07529	5.9
163.11211	2.8
163.14818	75.6
164.15176	2.2
165.09114	5.5
167.14357	2.2
174.06749	11.4
177.09053	3.1
179.07047	6.6
181.12317	2.3
181.15875	64.1
182.16335	2.4
186.06854	2.4
189.09111	62.0
190.09264	2.3
191.10690	19.6
194.09509	2.2
201.09129	14.1
219.10130	17.7
233.09631	3.3
240.07726	2.7
251.07062	3.0
268.06818	1.9
270.08914	3.8
271.09525	2.3
276.95804	2.0
283.09683	11.4
293.11627	7.1
295.09775	2.2
296.10553	2.4
307.05270	2.1
310.12000	2.6
313.14301	5.7
325.11420	2.2
325.14359	44.8
326.14526	2.3
343.11624	4.7
343.15399	8.4
361.12860	4.0
541.22626	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	541.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01599	0.2
50.29575	0.2
50.39509	0.2
50.94186	0.2
51.02371	0.4
53.03736	0.2
53.03946	2.7
54.38302	0.2
55.01872	0.3
57.02063	0.2
62.11981	0.2
69.03421	0.7
69.10593	1.8
77.03922	0.8
79.05083	0.3
79.05490	2.9
81.03400	0.8
84.66891	0.2
85.02892	0.3
91.05456	0.4
92.02617	1.6
95.04957	3.9
97.02886	0.6
103.03954	0.3
103.05438	0.2
105.03383	0.5
105.04498	1.6
107.04946	1.7
107.08548	0.3
108.64570	0.2
114.29494	0.2
119.04954	0.3
123.04398	1.5
131.04903	0.8
135.04402	100.0
136.04721	1.3
137.05963	0.7
147.04404	0.8
151.03923	0.6
151.07561	0.4
153.01892	0.3
153.05453	5.1
156.07585	0.2
161.05902	0.4
163.03836	0.7
163.07518	0.3
165.05423	0.2
167.07045	1.7
173.05992	0.2
175.07382	0.3
181.08650	0.3
183.07930	0.3
195.08150	0.3
201.77794	0.2
205.06647	0.3
211.07491	0.4
223.07544	0.5
239.07085	0.4
245.08102	0.9
251.07137	0.3
255.06430	1.2
256.06946	0.3
257.08075	1.4
267.08600	0.4
269.08002	1.3
281.08118	0.6
283.09375	0.2
287.09033	1.0
289.08368	0.3
311.09131	0.7
331.11777	0.5
335.09100	0.8
353.10196	0.4
371.10983	0.3
541.30042	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.189
Annotation	IRIGENIN, DIBENZYL ETHER
Peak:m/z	Relative Intensity
53.03951	0.3
56.96551	0.3
69.03429	0.6
69.04446	4.0
79.01835	0.5
81.03423	0.8
81.07041	0.5
85.02884	0.9
91.05464	0.7
93.07030	0.6
95.01067	0.6
96.01854	0.5
97.02908	0.6
105.07043	0.9
107.01298	0.4
109.02845	0.7
109.06457	0.4
112.01364	0.4
113.02139	1.0
119.08601	0.8
121.02806	0.5
121.06561	0.4
121.10143	0.7
122.03720	0.4
125.02332	0.6
127.03915	1.3
131.04893	0.5
131.08653	0.5
137.05969	14.4
143.03375	0.9
147.11751	0.6
151.03914	0.8
153.01820	16.6
154.02110	0.5
161.06015	0.4
163.07515	1.2
169.04753	1.0
171.02928	1.7
174.13673	0.4
177.09177	0.9
178.09409	0.8
181.08597	1.5
181.12236	0.4
185.04251	1.7
191.14323	1.3
192.14647	0.7
201.03612	0.9
201.05257	1.9
203.05298	1.9
216.07576	10.2
217.08232	0.9
227.02213	0.5
245.06328	1.8
259.07852	1.4
297.06097	0.5
305.08624	0.7
315.07199	1.6
331.10098	1.6
347.09439	7.6
445.71512	0.4
447.59387	0.4
460.67038	0.4
467.15793	0.5
510.16849	1.1
511.17603	1.8
541.18854	100.0
542.19232	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	541.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.5
53.03936	0.6
53.90060	0.2
54.58512	0.2
55.01861	0.6
55.05502	0.3
57.03433	0.3
57.07064	0.2
61.02912	0.2
67.05500	1.5
69.03426	3.4
69.07053	0.4
69.69261	0.2
71.04996	1.1
71.32881	0.2
72.55653	0.2
73.02924	0.2
76.08506	0.2
79.01855	3.3
79.05502	1.8
81.03419	4.9
81.07048	0.7
83.04976	0.5
85.02901	4.7
85.06544	6.8
86.06878	0.2
91.05473	1.5
93.07054	1.9
95.04974	0.6
95.08632	0.3
97.02311	0.3
97.02887	3.3
97.06536	0.4
99.04446	0.6
99.08086	0.4
103.05477	0.2
105.07014	1.7
107.01308	1.9
107.04948	0.8
107.08598	1.4
109.02873	4.8
109.06499	0.6
111.04419	0.9
117.07026	0.5
119.08562	0.9
121.06499	1.3
121.10146	1.5
123.04443	0.3
123.08064	0.3
123.11723	0.7
125.02351	3.1
125.05980	0.8
127.03915	7.2
129.07001	0.8
131.04932	0.4
131.08562	4.6
133.06505	0.7
133.10114	0.2
135.00780	0.3
135.08032	0.7
137.05960	1.8
137.09575	0.2
141.05475	0.2
143.03400	5.0
143.07054	0.2
143.08525	0.3
145.04938	0.8
145.10103	1.9
147.08034	0.7
149.05951	0.6
149.09619	3.6
150.10092	0.2
151.03871	0.4
151.07544	0.7
151.11194	0.3
153.01822	100.0
153.02850	3.6
154.02184	2.5
155.08546	0.3
159.08061	0.3
161.05975	1.7
161.09592	0.2
163.07584	0.9
163.11238	1.6
164.11562	0.2
165.09093	1.1
167.07066	0.8
167.10660	3.2
171.02882	11.0
172.03174	0.3
173.09624	0.5
175.07552	0.4
177.05502	0.2
181.04990	0.3
181.08537	0.3
185.08102	0.4
191.10661	5.2
192.11032	0.2
193.08577	0.7
195.02939	0.2
203.07062	0.3
207.10172	0.3
209.08194	0.3
209.11723	7.2
210.12091	0.3
211.09616	1.0
214.62430	0.2
219.10097	0.2
220.10564	0.4
221.08029	1.3
227.12755	6.7
227.16393	0.5
231.10239	0.3
237.11212	0.3
249.10999	0.2
275.12524	0.3
279.04980	0.8
297.06052	2.8
299.12665	0.2
315.07074	11.9
316.07343	0.4
317.13763	0.5
327.12259	0.7
505.17001	0.4
541.18506	0.5
563.08118	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.9
53.03926	0.9
55.01878	2.0
55.05497	1.3
57.07055	0.6
59.04983	1.0
65.03918	1.1
67.05507	4.2
68.99779	1.4
69.03414	1.1
69.07076	2.4
69.50092	1.4
69.50497	1.0
71.04977	1.1
77.03905	0.9
77.27978	0.4
79.05481	3.2
81.03402	1.8
81.07054	3.1
83.04967	1.8
83.08617	1.1
85.02904	0.8
85.06528	0.9
91.05467	4.1
93.03392	1.2
93.07047	3.9
95.04969	4.6
95.08592	2.6
97.02859	0.8
97.06528	1.3
97.10162	0.6
99.04451	1.0
105.03380	1.2
105.07034	2.2
107.04945	1.8
107.08588	3.3
108.08945	0.4
109.02875	1.9
109.06501	1.2
109.10133	1.5
111.00795	0.5
111.04458	3.3
111.08067	1.5
113.05988	1.1
115.05406	0.9
117.07029	0.9
119.04929	7.2
119.08588	1.3
121.02828	0.7
121.06497	0.6
121.10151	4.7
123.04424	92.3
123.08042	1.1
124.04767	1.3
125.05963	1.1
125.09606	1.4
127.03910	1.9
129.06978	0.6
131.08557	0.7
133.06537	0.9
133.10129	1.5
135.04413	2.2
135.11731	1.3
137.02345	0.7
137.05995	1.4
137.09628	3.3
139.03893	100.0
139.11192	1.2
140.04237	1.2
141.09070	0.7
143.04929	1.3
143.08575	0.6
145.06546	0.4
145.10072	0.4
147.04402	26.6
147.11638	0.6
148.04753	0.7
149.06044	1.0
149.09645	1.7
151.03897	38.4
152.04253	0.6
153.05493	0.9
153.09126	1.1
155.08577	0.4
155.10672	0.7
159.08086	0.5
161.05968	5.9
163.03906	5.1
163.07571	0.6
165.05470	21.1
165.09219	0.9
166.05827	0.9
167.10658	3.0
169.04955	1.8
169.06299	0.6
169.10185	0.5
173.05959	1.0
175.03824	0.5
175.07574	1.1
177.05498	0.9
177.09132	1.1
179.03391	0.6
179.07030	2.4
181.04935	3.8
181.08604	0.4
183.10170	7.6
183.11676	0.8
189.05505	2.4
193.04993	2.5
195.10143	3.9
195.11684	0.4
203.07111	0.9
205.08675	1.8
207.06526	7.1
207.10147	6.6
215.07063	1.3
217.08722	0.5
219.10130	2.0
231.06644	0.6
237.11220	0.5
239.07077	1.1
243.06703	0.5
249.07536	1.1
251.16428	10.7
252.16789	0.7
257.08173	0.7
273.07544	6.9
273.10202	0.5
275.20126	0.7
285.07568	3.1
291.08609	29.3
292.09070	1.3
303.08606	26.9
304.09192	1.1
341.14035	1.4
347.11725	0.4
359.14868	21.5
360.15427	1.3
389.19510	3.9
401.19791	0.9
467.18063	0.4
523.23468	1.7
541.24866	1.0
541.33215	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	541.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66444	0.5
52.74969	0.6
55.05499	1.5
57.07070	1.0
67.05490	2.6
69.07063	1.5
70.06592	0.8
71.34387	0.8
75.10592	0.4
79.05490	1.0
79.45514	0.7
81.07051	2.1
81.15047	0.4
83.04987	0.5
88.07626	0.6
89.06058	0.5
91.05502	0.7
91.27032	0.5
93.07043	1.2
94.64046	0.6
95.08617	1.6
97.06551	0.7
97.10137	0.7
102.47427	0.5
105.07031	0.5
107.08577	1.3
109.10176	0.9
119.08514	0.6
121.10140	0.7
125.09602	0.9
135.08090	0.8
135.11755	0.7
153.09183	0.5
189.11238	1.0
205.59331	0.5
256.26456	1.1
279.23331	0.7
306.73624	0.6
311.29169	0.8
353.52600	0.5
383.76450	0.6
518.19171	0.6
540.53412	2.0
541.33374	100.0
541.53741	1.8
542.33783	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	541.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51450	0.2
53.41830	0.2
55.05521	0.4
60.13036	0.2
62.64911	0.2
64.77824	0.2
69.07050	0.3
69.25143	2.0
81.07074	0.5
83.08638	0.3
93.07040	0.4
95.08601	0.8
100.43571	0.2
101.52409	0.2
106.41925	0.2
109.10133	0.2
118.49372	0.2
121.10191	0.3
145.10216	0.3
147.37144	0.2
185.04277	0.6
189.16415	0.5
203.05276	0.9
241.87674	0.3
259.08008	0.3
279.34995	0.2
312.64880	0.3
314.09509	0.2
530.56616	0.3
541.33441	100.0
542.33759	8.6
569.17230	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69492	0.4
55.05510	1.2
56.54071	0.4
57.07067	0.8
58.70142	0.4
67.05508	1.7
69.07079	1.8
79.05505	1.1
81.07053	2.2
82.33397	0.4
90.88225	0.5
91.05466	0.5
93.07046	1.5
95.08630	1.4
97.10187	0.7
105.07033	0.7
107.08588	1.0
109.10168	0.7
110.51328	0.5
119.08624	0.9
121.10165	0.9
125.09603	0.4
133.10149	0.5
176.18669	0.5
256.26584	0.7
279.23450	0.5
318.05325	0.4
413.49609	0.5
529.85724	0.5
540.53644	0.8
541.37207	100.0
542.37592	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	541.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	3.2
57.07081	1.2
59.08073	0.5
67.05506	2.8
69.03436	0.5
69.07061	2.2
69.64973	2.7
79.05489	2.8
81.07063	3.4
83.08611	1.7
85.06553	0.5
87.08095	0.5
91.05481	1.7
91.85363	0.5
93.07055	2.1
95.05051	0.6
95.08595	2.5
97.06535	0.7
97.10173	2.4
98.23326	0.6
105.07060	1.4
107.00506	0.5
107.08595	1.6
109.10149	1.6
111.08129	0.7
115.07531	0.5
117.06990	0.5
119.08603	0.9
121.10155	1.0
125.09654	1.7
131.08585	0.9
133.10159	0.6
135.11722	0.6
145.10217	0.6
146.99200	0.6
189.11252	1.8
202.88048	0.5
227.12889	0.6
311.29337	0.9
315.25281	0.8
352.65073	0.5
353.27032	0.7
370.33978	0.5
450.64792	0.6
523.35913	0.8
540.53625	0.9
541.37115	100.0
542.37207	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	541.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.4
57.07072	1.1
67.05502	2.7
69.07068	1.1
69.17950	6.7
72.81322	0.7
79.05482	2.3
80.71138	0.7
81.07050	3.5
83.08648	1.1
86.02827	0.7
91.05472	1.9
93.07044	2.2
95.08604	2.9
96.21428	0.8
105.07008	1.9
107.08602	1.5
109.10132	1.5
119.08608	0.9
121.10136	0.9
127.24985	0.7
128.18852	0.9
133.10126	0.9
133.81041	0.7
136.48488	0.7
147.11800	1.4
256.26288	1.0
269.39304	0.8
541.37512	100.0
542.37903	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	541.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01601	0.9
51.02381	1.7
53.03945	10.9
55.01873	3.9
55.05509	26.2
57.03431	3.2
57.07082	9.3
58.07413	0.8
65.03938	7.7
67.05502	84.2
68.05837	1.0
69.03420	1.8
69.07066	23.4
70.06599	4.4
71.05003	4.1
71.08632	4.1
71.31028	1.3
73.06548	0.9
77.03924	2.3
79.05490	100.0
80.05833	2.0
81.03416	8.6
81.07053	75.8
82.07375	2.1
83.04980	10.6
83.08615	11.8
84.56036	0.8
85.06535	3.0
85.10217	1.1
85.82817	0.7
88.07624	7.0
89.06001	1.0
89.07933	1.0
91.05477	75.7
92.05779	0.8
93.07043	93.8
94.07382	2.0
95.04967	21.2
95.08601	52.6
96.08961	1.7
97.02920	1.5
97.06525	7.1
97.10158	5.6
99.08102	1.8
102.09192	4.4
103.05486	1.4
103.09573	0.8
105.04533	3.9
105.07024	51.2
107.04958	6.6
107.08588	35.1
109.06532	6.8
109.10149	16.1
111.08083	2.8
113.09635	0.9
115.05460	2.0
117.07032	14.1
119.08578	32.1
119.09435	1.7
120.08918	0.8
121.06532	3.7
121.10136	24.2
122.10475	1.5
123.08057	6.6
123.11694	3.8
125.09611	1.8
127.07536	1.8
128.06213	3.2
129.07004	14.8
130.07686	0.8
131.08565	13.2
133.06488	1.3
133.10120	18.2
135.08058	2.1
135.11690	14.1
135.12656	1.1
137.09619	1.8
137.13239	0.8
139.07516	0.8
139.11169	1.4
140.81456	0.7
141.07001	1.1
141.09096	1.4
142.07776	1.3
143.08569	11.2
145.10104	15.3
145.11214	0.8
146.10378	0.9
147.08060	3.1
147.11682	37.6
149.09686	1.6
149.13271	5.4
153.05536	1.0
155.08572	2.5
156.09406	0.9
157.10156	2.5
159.11711	6.4
160.11981	0.8
161.09665	4.7
161.13251	14.9
161.14513	0.9
162.13625	1.2
163.11221	1.9
163.14812	1.3
165.12708	0.8
169.10115	2.2
171.11684	27.7
172.12177	1.0
173.13264	5.8
175.07491	0.8
175.14815	1.1
177.12788	1.8
177.16443	0.9
179.14285	1.6
181.10202	1.1
183.11697	1.1
185.13307	2.3
187.14885	2.9
189.12729	9.9
193.08649	0.8
197.13422	1.4
199.11255	0.9
199.14835	1.7
201.16422	1.0
207.13789	24.6
208.14262	0.9
209.13379	1.1
211.14879	1.0
217.08687	1.1
221.08148	0.8
223.14824	0.9
225.14809	1.9
237.14821	1.1
243.21104	1.1
256.26370	9.1
257.26639	6.1
259.20593	1.7
261.22144	5.9
281.17368	1.9
283.26215	2.6
284.26730	1.8
284.29553	2.4
285.29660	1.8
287.12827	1.6
305.13800	2.1
311.29358	6.3
312.29700	9.2
317.24771	1.5
431.33237	1.0
449.34183	3.6
467.34848	2.0
523.26855	1.5
523.37958	1.8
540.53265	4.2
541.38898	69.5
541.53650	41.9
542.39258	9.5
542.54291	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.3
55.01859	2.7
56.30209	0.8
57.03440	1.0
65.03928	0.9
66.24923	0.7
67.05487	3.0
69.03428	1.2
69.11472	6.2
76.15607	0.8
79.05495	7.1
81.03411	3.5
81.07059	1.8
85.02892	3.0
89.03902	0.9
91.05476	8.9
91.82283	0.8
93.03378	2.5
93.07027	3.0
95.04405	0.7
95.04971	2.9
95.08607	1.6
97.02872	0.7
97.06511	1.3
98.23358	1.6
103.05467	7.2
105.07034	22.2
106.04164	4.0
107.04955	5.2
108.05713	1.2
109.02882	2.6
109.06507	2.6
109.10152	6.3
111.04492	1.2
115.05450	1.8
116.45876	0.9
116.85691	0.7
118.04179	7.6
119.04917	3.3
119.08630	0.8
120.05736	0.9
121.06491	8.2
122.07305	1.7
123.04392	1.8
123.08073	1.8
124.05191	2.2
125.05992	2.3
127.03904	1.7
131.04948	4.2
131.05783	0.9
133.06493	20.9
133.07513	1.3
134.07278	1.7
135.04416	3.1
135.08072	4.2
137.05981	7.3
137.09618	17.5
139.03894	1.1
146.03638	1.7
146.33017	0.8
147.04445	1.7
148.05165	1.9
149.05991	13.4
150.06767	14.4
151.03981	0.9
151.07561	6.0
153.01816	3.8
153.09114	2.9
154.02179	1.5
155.10541	1.1
161.05960	4.1
162.01186	1.3
163.03894	3.5
163.07515	3.0
164.08327	2.3
165.05443	1.5
165.09125	28.1
166.06171	0.9
166.09584	1.1
167.07065	11.2
169.08623	0.8
177.05496	9.5
178.06184	2.0
179.07004	2.8
181.08627	5.4
183.10135	2.2
190.00838	0.9
191.07022	2.2
193.08606	58.6
194.08897	1.8
195.06514	1.6
201.11258	1.9
208.01839	0.8
209.08089	31.3
210.08586	1.8
211.09657	100.0
212.09996	3.9
223.04259	9.0
227.12726	0.9
267.06937	1.3
299.01538	0.7
309.13348	8.7
327.14725	1.5
345.13306	1.4
542.25549	1.1
543.24585	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.6
55.01866	1.8
65.03940	2.5
67.05489	2.9
69.03434	1.9
71.04973	1.4
71.21232	2.2
79.05490	10.7
81.03421	3.2
81.07075	2.1
85.02897	7.9
91.05477	10.9
93.03415	2.4
93.07059	5.6
94.04200	1.7
95.04987	3.1
97.02901	2.0
97.06517	2.0
99.67952	1.4
103.05471	23.9
105.07024	23.9
106.04189	5.5
107.04948	10.1
107.08619	4.7
108.08976	1.5
109.02866	2.6
109.06500	4.2
115.05495	1.8
117.07001	2.1
118.04168	5.5
119.04952	5.2
121.06483	11.3
121.10107	1.9
122.03700	3.6
123.04436	2.4
123.08054	3.0
124.05268	2.2
125.06037	2.1
127.03913	3.7
131.04933	22.3
132.05698	1.9
133.06490	29.8
135.04378	8.0
135.08061	8.8
137.05972	51.2
137.09601	2.6
138.06366	1.6
139.03925	3.2
141.48033	1.4
145.06505	1.6
147.04448	6.3
147.08072	1.6
147.11574	1.4
148.05176	3.1
149.05980	20.3
150.06763	13.0
151.03914	2.7
151.07538	14.4
153.01834	7.7
154.02200	2.4
161.05978	5.9
163.03940	9.7
163.07526	26.2
163.11127	1.8
164.08354	19.7
164.11475	1.5
165.05490	5.2
165.09117	21.3
167.07024	12.3
169.08586	2.1
171.08173	1.5
175.07555	2.2
176.67328	1.2
177.05463	16.9
177.09085	4.4
178.06015	1.6
179.07053	2.8
181.04956	1.7
181.08601	7.4
191.07060	3.0
191.14409	2.4
193.08597	62.3
194.08955	1.8
201.11266	2.3
203.07158	2.0
209.08084	36.4
210.08588	1.5
211.09656	100.0
212.10040	3.4
223.04286	6.2
228.01709	1.4
295.09796	1.8
295.13330	4.5
301.10751	8.1
315.12250	3.9
327.12274	26.0
327.15976	8.6
345.13211	7.2
363.14465	10.2
364.14584	1.6
476.14606	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.7
55.01870	1.7
57.03446	1.0
59.99252	1.0
60.94220	0.9
63.86180	0.9
65.03940	1.6
67.05494	1.0
69.02673	5.6
69.03098	4.6
69.03412	3.4
69.04637	0.9
71.05015	1.4
71.63575	0.9
71.96983	1.0
75.29398	0.9
77.03922	0.9
79.05486	5.4
81.03427	2.4
81.07065	2.4
85.02899	7.7
85.69090	0.9
91.05470	6.1
91.99884	0.9
93.07044	3.1
94.04176	2.9
95.04982	1.7
97.02886	3.4
97.06573	0.9
99.04436	1.6
103.05463	21.0
105.07028	12.2
106.04179	2.2
107.04953	7.4
107.08587	3.1
107.51632	0.9
109.02893	1.5
109.06504	2.9
109.10144	2.9
117.07063	1.6
118.04161	1.6
119.04951	4.9
121.06512	6.5
121.10161	1.9
122.03615	5.8
122.07267	1.0
123.04414	2.5
123.08101	1.9
125.06077	1.2
127.03907	2.9
128.06285	1.2
131.04916	22.8
131.08572	1.3
132.61539	1.1
133.06485	25.6
133.07483	1.5
133.10081	1.3
135.04422	3.7
135.08067	6.1
137.05971	100.0
137.09598	3.2
138.06317	2.3
139.03862	3.4
139.07469	1.0
143.08525	1.7
144.06677	1.0
145.04932	1.9
145.06509	3.3
147.04375	6.2
147.08040	1.7
148.05150	1.1
149.05962	10.7
149.13263	1.3
150.06758	3.4
151.03918	2.7
151.07529	10.1
153.01837	11.7
154.02148	3.5
155.10637	1.2
157.06493	1.6
161.06032	2.4
163.03902	8.7
163.07521	34.6
163.08878	1.7
163.14897	1.0
164.08318	17.7
165.05412	4.9
165.09111	10.2
167.07066	3.7
171.02882	1.3
171.08090	2.7
172.03224	1.0
174.13559	1.2
175.07558	2.7
177.05453	8.5
177.09108	3.0
179.06969	2.0
180.87459	1.1
181.08585	1.6
183.10039	1.0
187.07565	1.5
189.09071	1.3
191.07065	1.9
191.14325	2.7
192.14662	2.0
193.08588	13.2
196.32652	1.1
201.11237	4.1
203.07028	2.3
203.10759	4.0
208.01822	1.1
209.08070	11.5
209.15350	1.8
210.15797	1.6
211.09631	28.7
211.11624	1.9
219.22795	1.2
223.04224	2.3
227.16481	2.2
228.16843	1.3
263.10577	1.5
285.11371	1.0
295.13239	14.5
295.16370	1.6
301.10654	7.4
309.11017	1.8
315.12271	3.7
327.12222	24.9
327.15921	17.9
328.12650	2.1
328.16190	1.3
345.13333	8.5
363.14444	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	542.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32601	1.9
56.33404	1.9
60.17271	2.1
67.05492	2.7
69.13279	18.8
74.83328	1.7
77.71502	1.8
81.03408	3.2
81.07064	3.7
85.02898	7.6
91.05496	5.2
95.04967	2.3
97.02908	4.4
103.05467	11.9
105.07010	6.1
107.04948	2.4
109.02876	4.1
109.06495	3.2
109.10146	6.8
121.06477	3.0
122.03616	5.7
127.03905	4.6
128.06253	2.0
131.04933	21.8
133.06477	16.6
135.08047	6.8
137.05968	100.0
137.09557	3.4
138.06290	2.9
145.06471	3.4
147.08005	2.7
149.06030	2.5
151.03952	2.3
151.07530	8.5
153.01820	3.8
158.32713	1.9
161.06003	8.8
163.07535	51.5
165.09109	9.1
167.07100	3.5
171.08017	2.6
174.06763	1.9
175.07504	3.1
177.05434	2.6
177.09105	47.6
178.09431	2.8
181.08583	2.9
185.00636	1.8
193.08575	5.7
203.10649	3.7
209.08113	4.3
211.09642	8.5
221.08252	4.0
221.11821	12.3
237.52217	2.2
247.23630	1.9
295.13174	9.6
313.10803	4.9
327.12415	4.2
327.15842	16.4
345.13312	3.1
369.38934	2.0
369.72433	2.0
379.47504	2.2
542.19202	3.6
542.26697	11.2
543.25366	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	542.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.5
69.03444	3.2
70.47437	5.6
70.47798	1.6
79.05525	1.9
81.03431	1.7
85.02910	10.4
91.05496	3.7
93.07045	2.1
95.04904	2.4
103.05482	2.4
105.07032	10.5
107.04942	20.0
109.02895	1.7
115.05486	2.9
117.06937	2.8
121.06488	10.3
123.04444	5.4
126.00138	1.6
131.04961	3.1
133.06497	10.8
135.08076	3.5
136.05231	2.0
137.05984	1.7
142.26224	1.7
145.06477	2.5
146.07248	6.2
147.07039	1.7
147.07976	9.2
148.05153	3.3
149.05972	16.2
151.07536	24.6
161.05972	48.3
161.09593	8.8
162.06645	2.7
163.07552	25.5
165.09145	7.0
175.07585	5.2
177.09085	5.8
178.09885	100.0
179.10608	8.6
189.09102	30.8
190.89685	1.8
193.08600	27.1
194.09340	4.3
195.10194	1.7
207.10156	96.1
208.10556	3.7
299.12930	4.5
327.15979	3.8
345.16885	26.9
380.83264	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	542.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
71.34290	2.3
71.67413	1.4
79.05461	2.9
81.03402	1.5
81.07043	2.1
85.02886	4.5
91.05470	3.5
103.05452	8.4
109.02876	1.4
109.06575	1.9
109.10168	1.9
117.07027	2.8
119.04943	3.3
121.06465	2.2
122.03675	4.3
123.08043	1.8
131.04927	19.8
133.06473	6.2
135.08043	2.2
137.05974	96.6
138.06319	1.9
147.04388	2.5
149.06012	2.3
151.07532	8.8
153.01793	4.8
154.02168	2.1
162.06784	4.0
163.06151	3.0
163.07530	50.6
164.07849	1.4
165.09163	1.8
167.07066	2.2
168.45116	1.5
175.07529	4.0
177.09103	100.0
178.09409	4.2
181.08624	4.6
181.32144	1.8
183.10284	2.0
184.07300	1.6
193.08641	3.1
195.10188	4.4
203.10730	1.9
221.11723	29.9
247.65494	1.6
295.13321	2.8
327.15909	4.2
331.15558	1.7
333.16187	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72069	0.3
52.96156	0.3
69.21378	2.2
74.06062	0.5
76.35708	0.3
79.05470	0.4
81.07046	0.3
85.02885	0.7
85.04028	0.3
91.05458	0.6
93.07053	0.4
94.04168	1.0
97.02869	0.4
103.05459	0.9
105.07027	0.4
107.78925	0.3
119.04967	0.5
121.06461	0.4
122.03643	2.5
127.03929	0.3
130.97447	0.3
131.04936	1.0
133.06430	0.4
137.05971	100.0
138.06317	3.1
151.07510	0.4
153.01778	0.4
153.05463	0.3
160.76601	0.3
161.06058	0.4
163.07523	2.3
171.59503	0.3
177.09090	0.4
181.08585	11.3
189.09198	0.4
203.06969	0.4
287.12701	0.5
345.13144	0.5
512.15723	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.6
55.05528	1.8
57.03427	2.4
61.87868	1.3
65.03941	1.5
67.05506	3.2
69.03434	5.8
69.07074	2.0
69.45047	1.8
71.04993	2.5
71.31743	2.1
77.03954	1.7
79.05495	5.8
81.03428	6.3
81.07062	3.7
85.02901	13.8
91.05489	11.5
93.07041	3.8
95.04977	3.7
95.08630	4.1
97.02896	5.0
99.04433	2.4
103.05457	17.9
105.07029	18.2
107.04954	38.8
107.08582	2.4
109.02886	2.8
109.06546	2.5
109.10140	4.0
115.05476	3.3
117.07038	5.4
119.04968	6.3
119.08620	3.7
121.02872	2.6
121.06493	5.7
123.04466	4.1
125.09615	1.6
127.03929	4.5
131.04918	12.0
132.05821	1.9
133.06490	22.8
135.08049	10.4
137.05969	44.2
138.06337	2.1
143.08594	2.6
145.04871	2.7
145.06488	3.9
145.10188	2.4
146.07225	2.6
147.04433	3.0
149.05968	21.1
149.09673	1.8
151.03917	4.9
151.07555	6.8
153.01865	3.3
153.05435	1.7
155.99800	1.7
159.08070	3.0
160.08806	2.0
161.05980	8.7
161.09645	5.5
162.06752	3.7
163.07536	63.9
163.08900	3.4
164.08334	18.7
165.05508	2.9
165.09109	14.9
167.07027	20.0
171.08113	3.8
175.07536	43.5
175.11217	6.9
177.05513	1.8
177.09142	4.8
178.09656	2.5
179.07185	1.8
181.08592	22.4
183.17520	2.2
188.08307	2.6
189.09279	2.2
195.09962	1.5
203.07144	4.2
203.10670	33.2
205.08696	2.1
205.12180	2.6
207.06506	2.6
207.10185	2.1
211.09689	3.0
213.14854	2.4
221.11710	100.0
222.12018	1.7
241.08429	2.0
267.10135	1.7
285.11154	3.3
299.12729	5.7
327.12192	7.5
327.15921	6.9
345.13232	3.1
345.16901	27.9
481.09210	1.8
481.20129	2.2
542.22339	2.3
542.30640	14.0
543.20502	30.7
543.30707	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	542.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41332	2.8
52.19687	2.7
52.46325	2.5
52.89324	2.7
53.03947	3.3
55.01878	4.0
69.03432	6.7
71.05000	2.9
71.32175	4.6
75.18634	2.8
79.05480	10.3
81.03429	4.5
81.07060	3.3
85.02914	17.7
91.05477	8.5
93.07069	5.8
95.04955	3.9
95.08606	3.3
97.02894	8.8
100.21638	2.8
103.05468	23.8
105.07041	16.6
107.04942	36.3
107.08616	3.2
109.02898	3.1
109.10140	2.8
115.05453	4.5
117.07023	3.0
119.04935	6.2
121.02839	10.2
121.06472	8.1
123.04425	5.0
127.03888	4.3
131.04936	21.2
132.05742	4.2
133.06491	19.1
135.08061	5.3
137.05969	43.0
143.10606	4.1
145.04913	3.6
146.07335	3.0
147.04433	3.5
149.05983	24.2
151.03949	4.0
151.07564	8.8
153.92216	2.5
160.48958	2.6
161.06056	13.3
161.09631	6.4
163.03862	3.7
163.07538	69.3
164.08372	28.9
165.05542	3.4
165.09137	14.4
175.07555	49.0
175.11195	7.6
179.07083	2.7
181.08617	22.4
189.09096	5.5
203.07047	12.3
203.10661	35.5
205.91310	3.0
207.10315	3.4
214.10564	2.9
221.11740	100.0
222.12148	5.4
285.11215	5.7
299.12653	4.7
327.12183	14.6
327.15915	7.8
345.17007	32.6
542.29877	8.8
543.24115	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	542.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.9
55.01870	2.6
56.80285	0.7
57.03436	2.0
59.19733	0.8
61.02929	1.0
64.38190	0.9
67.05493	1.2
69.03427	3.8
69.95173	1.7
69.95567	1.4
74.00167	0.8
79.05495	2.7
81.03417	2.4
81.07061	1.2
85.02890	13.3
91.05473	5.9
92.43410	0.7
92.81778	0.8
93.07043	2.6
95.04972	2.7
95.08596	0.9
97.02888	2.9
97.06527	1.1
98.23325	0.9
98.90791	0.8
103.05470	3.8
105.07021	9.9
107.04949	20.3
108.45638	1.0
115.05467	3.8
117.07030	3.2
119.04893	0.8
119.08605	1.7
121.02879	0.9
121.06511	11.5
121.10159	1.1
123.04420	6.8
125.34035	0.8
127.03933	2.6
128.06230	2.1
129.06937	1.0
131.04933	4.2
133.06482	12.6
133.10159	1.2
134.06931	0.8
135.04417	1.3
135.08043	4.3
136.05179	1.9
137.05972	8.0
137.09586	1.0
143.08566	3.1
145.04935	1.4
145.06456	3.3
145.07553	1.7
146.07291	5.9
147.04379	1.7
147.08034	10.5
148.05205	3.6
149.05969	17.8
150.06662	1.0
151.03830	0.7
151.07526	22.3
160.05235	1.0
161.05963	50.8
161.09581	8.2
162.06679	3.4
163.07532	27.9
164.08183	1.5
165.05469	0.9
165.09108	15.1
167.07030	2.5
170.93411	0.8
171.08002	2.0
174.06761	0.9
175.07552	7.3
177.09081	8.0
178.09877	100.0
179.10568	9.6
189.09088	36.8
189.10825	1.6
190.09465	1.1
191.06950	0.8
191.10696	0.9
193.08595	27.6
194.09320	4.4
195.10129	2.3
203.10527	1.1
205.08643	0.9
207.10146	86.2
208.10493	2.8
221.11786	3.5
292.64832	1.0
299.12778	3.9
309.14792	1.8
327.12137	0.6
327.15869	14.7
345.16946	20.6
346.17184	1.7
423.22797	1.0
453.19110	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31137	5.5
55.05505	13.3
65.03944	6.0
67.05511	15.2
69.63107	13.5
69.63514	25.6
79.05517	10.4
81.07054	20.4
83.08611	9.7
91.05475	20.8
93.07040	9.2
95.08603	14.5
98.23232	10.6
103.05462	14.7
105.07031	16.6
106.41925	6.2
107.04954	30.6
107.08614	8.7
117.07043	14.3
119.04905	7.8
119.08591	5.9
121.10191	9.0
122.15345	7.3
125.06044	7.7
128.06276	5.8
131.04903	9.6
131.08641	9.0
133.06398	5.7
133.10103	8.4
134.10362	5.9
137.05962	98.2
143.08572	10.6
145.06525	19.4
151.03912	19.8
151.07570	18.1
153.05501	13.9
159.08083	9.3
162.06772	12.8
163.07494	38.1
165.09116	7.5
171.08058	28.7
175.07422	14.7
177.09158	15.2
188.08388	18.4
195.08102	6.5
203.10649	66.1
221.11707	100.0
283.12976	6.4
409.41434	6.3
542.29657	19.8
546.82098	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	542.4262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
55.01857	1.5
55.05508	6.0
57.03435	1.1
57.07075	32.7
59.04982	1.3
65.36150	0.7
67.05506	8.2
69.03442	0.9
69.07067	5.0
70.68713	0.7
71.04975	2.0
71.08631	24.3
73.06556	7.6
79.05496	7.1
80.78183	0.6
81.03426	1.7
81.07048	9.2
83.05008	1.1
83.08601	4.6
85.02911	1.1
85.06543	0.9
85.09790	0.5
85.10181	20.9
87.04478	5.3
89.06029	100.0
90.06371	1.6
91.05473	6.7
91.07610	1.0
91.63791	0.8
93.07043	7.1
94.07388	1.0
95.04951	1.9
95.08604	6.0
97.06536	2.6
97.10159	4.8
98.22508	1.4
99.11733	4.4
105.07027	6.1
107.04953	0.8
107.07058	2.9
107.08595	5.0
109.06522	1.1
109.10168	4.8
111.04427	0.8
111.11732	1.2
113.06033	0.9
113.13271	1.4
117.07010	2.6
117.09114	5.4
119.08568	3.8
121.10134	4.6
123.08081	1.0
123.11686	0.9
125.09627	0.9
129.06987	1.1
130.08662	2.0
131.07027	1.9
131.08571	3.2
133.08604	45.4
133.10049	3.3
134.08949	0.8
134.55370	0.7
135.08093	1.6
135.11694	2.5
136.59267	0.7
137.09619	2.2
139.03946	0.7
142.07701	0.8
143.08543	1.9
145.10115	3.8
147.11691	1.4
149.13252	0.8
151.11191	1.0
153.05441	1.1
155.17940	4.6
157.10101	1.0
159.11732	1.5
161.06062	0.9
161.09685	0.7
161.11855	0.9
163.11102	0.9
165.09201	0.8
166.75032	0.6
169.10049	0.7
171.11700	1.6
173.09592	0.8
173.13264	1.9
175.09676	1.0
175.14886	0.8
177.11215	19.0
177.12743	1.2
181.10164	1.0
183.11690	1.7
185.13348	1.0
191.07051	1.0
191.10713	0.7
197.13139	0.8
199.20541	3.6
203.07062	1.6
209.11687	1.6
221.13820	2.6
237.14958	2.2
243.23160	5.8
275.19946	1.5
283.17551	0.9
283.20532	1.0
287.25818	3.2
289.14279	1.9
306.16803	1.0
327.20044	1.1
371.22775	4.9
405.71552	0.8
451.31854	1.5
469.33188	1.3
525.28253	1.6
525.41083	3.7
543.22101	1.4
543.29541	1.2
543.36792	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	542.4414
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	14.0
57.03437	20.1
57.07081	46.6
60.38800	5.9
67.05501	60.2
67.87508	6.0
69.07073	25.9
71.08630	37.1
79.05496	24.1
81.07053	65.7
83.08633	19.6
85.10197	13.2
89.06038	12.7
91.05444	8.6
93.07052	36.2
95.08614	37.1
98.22586	10.8
107.08597	23.5
109.10157	10.7
115.23946	6.2
116.89500	6.3
117.07021	8.7
121.10164	17.6
131.08540	7.5
133.10149	8.7
137.37108	5.8
143.13901	5.9
149.13216	30.9
159.11693	16.5
170.59760	6.8
195.13828	11.1
205.62610	6.5
239.23962	6.3
243.77663	5.7
269.17484	100.0
301.95337	5.4
305.93430	6.0
312.30011	9.8
313.27243	78.6
353.24576	6.6
507.40488	87.8
542.54010	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	543.1321
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43496	0.3
71.08415	0.9
88.34045	0.4
146.41991	0.4
171.04945	0.6
182.58031	0.4
201.01636	0.5
215.52126	0.5
245.05144	0.8
247.04756	0.5
265.85953	0.4
326.98914	0.4
351.11386	1.6
381.07935	20.3
382.08710	0.7
543.13196	100.0
544.13727	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	543.1319
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05772	0.3
56.08934	0.3
56.85605	0.3
61.16648	0.4
69.80448	1.6
80.93265	0.3
92.51766	0.3
98.02878	0.3
101.04388	0.3
110.33847	0.3
165.37999	0.4
191.06796	0.4
195.25174	0.3
212.85196	0.8
273.01740	0.3
363.06931	0.5
381.07916	22.0
382.08459	0.9
543.13171	100.0
544.13501	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	543.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
53.86917	0.9
55.01865	3.7
55.05510	0.9
61.69396	0.7
61.74176	0.7
65.03911	0.9
67.05505	0.8
69.08890	1.8
69.09307	7.4
69.65099	0.8
76.09731	1.0
79.05483	11.0
81.07064	1.4
87.06943	0.9
89.03927	1.2
91.05484	6.0
93.07040	2.6
95.04946	1.8
95.08592	0.9
103.05462	15.2
105.07021	79.6
106.07368	1.7
107.04972	2.0
107.08575	1.4
109.10189	1.1
115.05452	16.3
118.04145	5.6
119.04934	1.3
119.08561	1.3
121.06463	4.3
121.10130	0.9
129.66054	1.0
131.04932	8.8
133.06477	66.3
134.06828	1.7
137.05981	2.5
143.04961	1.9
143.06047	6.9
145.10120	0.9
148.05188	3.0
149.05969	9.9
159.04373	2.0
161.05959	100.0
162.06357	2.9
163.07536	3.8
164.08331	0.8
176.04427	13.2
177.05429	8.8
179.07042	1.4
184.04941	12.4
185.05734	6.1
185.20206	0.8
191.07013	20.1
193.08580	41.3
194.08899	1.9
209.08089	5.9
215.06769	63.7
216.07047	1.6
230.05527	2.3
231.06267	7.5
274.08047	2.0
290.07654	1.8
291.08365	18.3
292.08652	1.2
381.13077	1.6
483.16245	12.4
525.32428	4.0
543.18268	1.9
543.33582	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37318	0.5
58.49298	0.5
71.32735	1.0
79.05482	1.1
81.03397	0.9
91.05470	0.6
95.04981	0.7
105.07059	1.2
105.98408	0.4
107.04987	1.1
109.10166	0.9
110.07299	0.5
123.04436	0.8
135.08026	0.6
137.05972	1.5
137.09596	1.3
139.03935	0.9
142.38446	0.5
143.08676	0.5
146.22614	0.5
151.03903	1.7
151.07510	0.5
153.01797	3.1
154.06279	0.7
159.04213	1.1
161.09644	2.6
165.09117	2.0
167.07037	2.2
181.04990	1.2
186.12213	0.6
189.09146	0.7
191.01436	0.5
195.06499	6.6
202.22229	0.5
207.10193	1.6
227.20833	0.5
299.08978	0.6
381.13062	3.6
382.13306	0.6
383.53687	0.6
541.27075	0.5
543.18317	100.0
544.18689	7.9
558.97705	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.4
51.28397	0.3
53.03942	3.1
55.01866	7.6
55.05505	23.1
57.01525	0.3
57.03433	3.7
57.07073	2.6
59.04991	2.2
65.03925	3.0
67.05499	39.5
68.05821	0.5
69.03436	2.2
69.03741	0.4
69.07061	12.2
71.01324	0.6
71.04987	3.2
71.08645	0.5
71.30975	0.4
77.03944	1.1
79.05486	40.1
79.49335	0.3
80.05831	0.8
80.06270	0.5
81.03416	8.3
81.07050	35.9
81.91736	0.3
82.07408	0.4
83.01331	3.6
83.04972	7.6
83.05437	0.5
83.08610	12.1
85.02888	2.2
85.06529	1.9
91.05472	29.4
92.05806	0.6
93.07036	39.7
94.07350	0.7
95.04958	8.0
95.08597	22.2
95.62382	0.3
96.05370	0.3
96.08939	0.6
97.02909	1.0
97.06520	3.7
97.10156	10.5
99.04456	1.2
99.08069	0.7
103.05481	1.3
103.31567	0.3
105.04518	1.3
105.07021	23.1
106.07352	0.4
107.04946	5.1
107.08586	23.3
108.08961	0.6
109.02874	0.5
109.06509	3.8
109.10141	11.3
110.10538	0.4
111.04443	1.4
111.08068	2.3
111.11716	0.4
115.05440	2.1
117.07013	14.7
119.08569	16.9
120.08937	0.8
121.06512	3.5
121.09260	0.8
121.10136	16.1
122.10484	0.6
123.08058	4.1
123.11681	2.1
125.06005	0.8
125.09624	8.0
128.06200	1.8
129.06982	6.1
129.07854	0.5
130.07774	1.5
131.04916	0.7
131.08554	18.7
133.06476	1.3
133.10112	11.2
134.57135	0.4
135.07104	0.4
135.08054	3.0
135.10634	0.7
135.11676	14.8
137.09622	1.5
137.13240	0.6
139.11182	0.9
141.06984	1.8
142.07787	0.9
143.08549	8.1
144.09314	0.5
145.06490	2.7
145.10112	20.2
146.10490	0.7
147.08049	2.1
147.11667	7.2
149.09619	1.6
149.13257	5.1
151.11226	0.8
153.07024	0.5
153.09102	1.1
153.12740	2.1
154.07803	0.4
155.08525	4.8
156.09360	0.7
157.06493	0.9
157.10115	6.3
159.08067	2.4
159.11688	9.1
161.09651	1.4
161.13255	3.7
163.11169	14.5
163.14842	1.2
164.11519	0.6
165.06935	0.4
166.07899	0.4
167.08524	1.4
169.10095	3.6
171.08063	1.5
171.10298	0.7
171.11646	4.5
173.09680	2.9
173.11758	0.7
173.13210	7.1
173.14587	0.6
174.13712	0.4
175.11191	1.3
175.14810	2.1
181.10133	2.2
181.12195	2.6
182.10959	0.4
183.08102	0.5
183.11688	3.5
185.09656	1.2
185.13242	4.0
187.11208	1.4
187.13298	0.8
187.14789	3.7
189.11224	4.4
189.12764	0.8
189.16327	0.5
191.10579	2.1
191.14394	0.6
193.10339	0.6
193.12309	1.6
195.11742	2.0
197.09738	0.4
197.13274	2.7
199.11186	1.0
199.14809	2.7
201.12708	1.4
201.16402	1.6
203.17856	0.4
207.11673	0.7
209.11732	3.3
209.13359	1.3
211.13182	0.8
211.14874	1.6
213.12819	0.9
213.16423	1.0
215.14311	0.8
215.18097	0.5
221.13309	0.6
223.14784	1.2
225.12813	0.5
225.16438	0.6
227.12714	8.3
233.19133	0.4
235.14894	0.5
235.16991	0.6
237.16545	0.6
239.18100	0.6
241.15895	0.6
241.19565	0.8
243.13803	0.4
243.21075	1.5
249.16483	0.6
253.19539	0.5
257.18951	0.6
259.20551	2.7
261.22131	6.7
265.19562	0.4
267.15878	1.8
269.22607	0.4
271.20599	0.4
271.24051	0.4
277.21744	0.8
281.19199	0.4
281.22571	1.1
283.15485	1.3
283.20349	1.7
285.18747	0.4
297.22290	1.4
299.20306	0.8
299.23642	12.1
300.24142	0.7
301.21643	1.4
309.22079	0.4
311.19955	0.4
311.23718	0.5
313.21628	0.7
315.23141	1.0
317.24777	2.1
321.22324	0.4
325.21893	0.4
327.23288	0.5
333.24216	1.2
337.25153	0.5
339.23242	1.3
341.24924	0.4
343.22513	0.5
353.24930	0.4
355.26361	0.9
357.24368	0.9
405.31665	0.8
415.29941	1.0
416.96854	0.4
423.32635	1.2
433.30969	4.2
434.31390	0.5
441.33334	0.5
451.32007	7.4
469.33197	5.1
470.33340	0.5
487.34250	2.4
489.33813	0.4
507.34824	0.8
510.12015	0.4
515.37463	0.8
525.27832	0.6
525.35730	12.0
526.35986	1.1
543.36743	100.0
544.37097	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	543.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01583	0.4
51.02369	0.4
53.03951	2.9
55.01869	2.9
55.05511	14.6
57.03442	2.2
57.07084	1.7
58.00005	0.3
65.03944	2.4
67.05505	32.7
68.05858	0.4
69.03424	1.9
69.06708	0.6
69.07069	9.7
70.56977	0.6
70.57345	0.5
71.04998	3.4
71.08639	0.3
73.02927	0.9
77.03937	1.0
79.05494	45.1
80.05824	0.8
81.03421	1.8
81.07057	33.7
82.07408	0.5
83.04984	4.0
83.08621	8.3
85.06543	1.2
91.05481	20.7
93.07047	53.5
94.07390	1.2
95.04974	7.8
95.08607	40.1
96.08951	0.7
97.02895	3.2
97.06525	3.6
97.10152	1.6
99.04461	3.0
99.08073	0.7
103.05459	1.7
105.04524	1.7
105.07030	14.5
107.04960	6.4
107.08595	31.2
108.08913	0.4
109.06505	2.1
109.10148	6.9
110.10498	0.3
111.04456	1.1
111.08109	1.4
113.06053	0.7
113.09661	0.4
115.05457	0.9
116.06218	0.3
117.07018	11.4
119.08582	13.9
121.06510	5.2
121.10146	19.9
123.08085	0.9
123.11687	1.4
125.05999	2.2
125.09584	0.5
127.07591	0.7
128.06192	0.4
129.07004	0.9
130.07823	2.4
131.08575	4.9
133.06464	0.3
133.10135	5.5
135.08073	2.1
135.11693	40.7
136.12025	1.2
137.09616	0.5
137.13242	0.6
139.07532	1.8
139.11208	0.5
143.08577	1.2
145.10124	24.2
146.10443	0.9
147.08044	0.6
147.11687	2.7
149.09601	0.5
149.13274	2.9
153.12746	0.7
157.10083	0.5
159.11700	2.5
161.13257	2.0
163.11180	53.0
163.14857	1.2
164.11537	1.8
165.09167	0.4
171.11623	0.4
173.09659	0.5
173.13263	2.0
175.11113	0.4
175.14868	1.2
177.16385	0.3
181.12241	13.1
182.12541	0.4
185.13251	0.5
187.14828	1.2
191.07059	0.4
191.10710	0.3
201.09241	0.3
201.16350	0.9
209.11638	2.1
211.09650	0.6
219.10103	0.3
227.12773	100.0
228.13141	4.3
233.22687	0.5
243.21027	1.5
261.22122	6.7
275.20102	0.3
277.21790	0.4
283.15497	0.5
289.14392	0.6
299.23709	0.5
307.15503	0.6
317.24792	2.1
333.63223	0.3
361.20306	0.5
365.56161	0.3
451.32184	0.5
503.69803	0.3
525.28308	0.5
525.35828	0.4
527.75903	0.3
543.36792	42.7
544.29382	0.6
544.37030	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	543.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.8
55.01865	4.1
55.05507	22.7
57.03429	4.9
57.07066	2.5
59.05006	1.3
65.03938	2.3
67.05503	32.3
68.05834	1.2
69.03426	1.6
69.07070	11.0
70.07371	0.7
71.04982	2.5
79.05491	27.8
81.03413	10.5
81.07052	30.1
83.04970	3.1
83.08607	10.4
85.02882	1.3
85.06555	1.9
89.01212	0.6
91.05473	25.1
93.07039	24.3
94.07366	0.6
95.04966	9.5
95.08602	17.3
96.08978	0.8
97.06528	4.2
97.10168	11.0
98.23356	1.3
99.08105	0.7
103.05495	1.6
105.04511	0.9
105.07027	24.5
107.04951	4.2
107.08588	16.2
109.06520	2.5
109.10152	13.4
111.08104	3.3
111.11722	0.9
115.05464	2.1
116.06246	1.0
117.07011	12.3
119.04976	1.0
119.08578	18.1
121.06491	2.3
121.10143	8.7
123.08060	3.0
123.11732	3.0
125.09619	7.6
128.06221	3.7
129.06992	11.3
129.07974	0.7
130.07782	1.6
131.08559	21.8
133.06465	1.8
133.10117	13.0
135.08067	3.1
135.11668	6.2
137.09642	1.9
139.11154	0.9
141.06964	4.5
142.07802	3.0
143.08557	14.4
144.09323	1.0
145.06490	4.3
145.10117	17.2
145.11206	1.2
147.08083	3.9
147.11679	9.4
149.09642	2.4
149.13261	3.2
151.11275	0.9
154.07805	1.2
155.08578	6.9
156.09366	1.9
157.06493	1.7
157.10123	11.5
159.08061	4.2
159.11687	12.0
161.09674	2.4
161.13268	3.6
163.11201	1.8
163.14879	0.9
165.07069	1.2
166.07817	0.6
167.08556	3.2
168.09323	1.3
169.10106	8.3
169.11249	0.7
170.10773	0.9
171.08119	2.4
171.11662	9.7
172.12231	0.8
173.09663	2.7
173.11818	1.3
173.13222	8.6
175.11208	2.0
175.14876	1.9
176.39899	0.7
177.12767	1.1
179.08553	1.3
180.09444	1.0
181.10075	5.1
182.10788	0.9
183.08275	0.7
183.11673	8.5
185.09660	2.2
185.13257	6.6
186.13586	0.7
187.11238	2.3
187.14832	3.9
189.11232	2.5
189.12662	1.3
193.10338	1.1
193.12267	3.9
194.10902	0.7
195.11685	4.5
197.13281	4.7
199.11217	1.7
199.14752	3.7
201.12762	1.9
201.16415	1.3
203.14388	1.2
207.11722	1.4
209.13307	3.0
210.13799	0.7
211.11362	1.1
211.13181	1.3
211.14879	1.8
213.12814	2.0
213.16396	1.8
215.14436	0.8
219.11775	1.1
221.13251	0.9
223.14874	2.9
225.16472	1.8
227.12790	2.2
227.14674	1.0
229.14243	1.1
233.15312	0.9
235.14832	1.2
239.17999	1.0
241.15903	1.1
241.19516	3.4
243.15915	0.8
255.20999	0.8
257.19128	1.2
259.20541	7.5
265.19464	1.0
267.15851	4.0
275.20102	1.8
277.21817	1.1
281.22763	0.9
283.17233	0.7
283.20679	2.6
291.20969	0.7
297.22217	2.2
299.20499	1.2
299.23648	6.9
301.21658	1.6
313.21790	1.0
315.23193	1.6
325.21625	1.3
327.23203	0.9
333.24228	2.1
339.23065	1.3
341.24731	0.9
353.24863	1.0
357.24139	1.0
371.25970	0.9
415.30066	2.0
423.32648	2.5
433.30920	7.1
435.27417	0.8
451.32233	9.5
452.32480	1.2
463.31543	0.7
469.33148	6.6
487.34323	1.0
507.35028	1.3
515.37604	2.8
525.35876	20.2
526.36279	1.7
543.36847	100.0
544.37115	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	543.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.9
53.03943	3.0
55.01871	3.2
55.05512	18.6
56.05834	0.7
57.03434	3.9
57.07070	1.7
58.87428	0.6
59.04991	1.5
60.17674	0.6
65.03946	2.2
67.05502	29.6
67.37267	0.6
69.03435	1.9
69.07065	9.1
69.12596	5.3
71.04993	2.8
75.37104	0.6
79.05489	24.5
79.05948	1.3
81.03421	6.6
81.07053	27.0
82.81179	0.7
83.04977	3.5
83.08614	10.1
85.02894	1.3
85.06545	2.4
91.05476	21.5
93.07041	22.3
93.07597	1.4
95.04964	6.9
95.08601	15.0
97.06543	3.5
97.10170	9.9
99.08104	1.0
103.05470	1.2
105.04555	0.9
105.07025	21.0
105.07735	1.2
107.04960	2.9
107.08593	16.4
108.08969	0.7
109.06514	1.4
109.10163	10.3
111.08079	3.5
115.05428	1.6
117.07026	10.2
119.08577	15.3
121.06541	3.1
121.10123	7.5
123.08088	2.7
123.11718	3.0
125.09619	6.5
128.06247	2.8
129.06990	11.8
129.07857	1.1
129.72711	0.8
130.07791	0.8
131.08559	20.0
133.06505	2.1
133.10118	11.7
135.08075	2.1
135.11674	6.0
137.05952	0.6
137.09619	2.0
137.13229	1.1
139.11215	0.8
141.07004	3.3
142.07726	1.8
143.08559	12.0
144.09352	1.5
145.06496	2.7
145.10117	16.3
147.08102	2.7
147.11682	7.9
149.09659	2.6
149.13272	2.5
153.09099	0.9
154.07733	1.1
155.08556	7.0
157.06505	1.0
157.10141	10.4
159.08023	3.4
159.11681	10.2
160.12057	0.9
161.09601	1.9
161.13278	2.6
163.11237	2.1
163.14851	1.1
165.12816	0.9
167.08607	3.1
169.10083	6.5
171.08087	1.9
171.11682	8.4
173.09612	3.1
173.11818	1.6
173.13306	6.1
175.11234	2.4
175.14888	2.2
177.12762	1.4
179.08574	0.8
179.14328	0.8
181.10066	3.8
182.10909	1.0
183.08235	0.7
183.10132	1.1
183.11647	6.6
185.09673	2.6
185.13280	7.0
187.11247	2.0
187.13350	1.2
187.14777	3.1
189.11223	2.3
189.12799	1.6
189.16550	1.0
193.10220	1.2
193.12283	2.9
195.11652	3.7
197.09738	1.0
197.13258	3.4
199.11281	1.6
199.14873	4.4
201.12784	1.8
201.16417	1.5
203.14381	1.3
207.11737	0.9
209.09552	0.7
209.13365	2.8
211.11354	0.9
211.13167	1.3
211.14926	1.7
213.12785	1.8
213.16504	1.9
215.14354	1.2
215.17918	0.9
221.13338	1.6
221.15242	0.8
223.14929	2.2
225.16408	2.1
227.12790	2.9
229.06569	0.8
229.14256	1.3
241.16171	0.7
241.19579	1.8
243.13847	0.8
257.19034	1.3
259.20508	5.5
265.19659	1.5
267.15817	4.4
271.16956	1.0
275.20184	2.7
277.21695	0.9
281.18930	0.8
283.17487	0.7
283.20615	2.1
297.18903	1.0
297.22299	2.4
298.22787	0.8
299.23654	5.5
301.21567	1.3
313.21802	1.2
315.23236	1.5
319.62924	0.8
321.22342	1.0
325.21600	1.0
327.23410	0.8
333.24316	2.5
335.23965	0.8
339.23334	1.4
353.24619	1.1
357.24164	1.4
371.25659	0.9
405.31628	1.4
415.30051	1.5
423.32623	1.9
433.30908	6.1
435.27490	0.9
437.50543	0.7
451.31998	10.0
452.32413	1.5
469.33374	6.0
479.28055	1.1
497.28909	1.1
498.44656	0.8
499.34439	0.8
507.34702	1.6
515.37457	2.9
525.35870	19.4
526.36176	2.2
543.36902	100.0
544.37128	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	544.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06120	1.3
54.22137	1.3
60.66491	1.4
62.58607	1.3
69.03427	7.0
71.04953	1.6
71.32793	1.7
79.01842	3.3
81.03415	10.3
85.02900	6.1
91.05476	1.5
97.02891	6.6
99.04419	1.4
103.05452	11.6
105.06998	2.7
107.01311	1.9
107.04940	3.7
109.02866	5.4
111.04479	1.9
119.04906	1.9
123.04422	2.6
125.02402	1.6
127.03901	8.9
130.70251	1.5
131.04918	38.4
133.06520	2.0
133.34589	1.4
137.05956	18.0
139.03880	2.3
141.30814	1.3
143.03394	4.1
147.04372	9.9
147.08014	4.2
149.05994	3.3
151.03896	29.5
151.04973	2.4
151.07558	2.6
153.01814	100.0
153.02863	4.5
154.02168	3.6
161.05966	1.7
163.07518	27.0
167.07039	3.2
171.02898	12.0
175.07524	8.1
179.06961	2.4
179.85313	1.5
181.04976	1.5
187.07530	1.8
193.08598	11.0
195.10164	6.5
207.10258	1.8
223.09709	4.2
225.07480	15.3
233.08125	3.9
234.08887	1.8
237.11212	1.6
252.08931	1.6
263.09164	3.3
271.06100	1.4
271.09375	1.6
295.88202	1.4
297.06012	4.8
303.12128	2.2
315.07117	8.2
317.13754	5.6
321.13260	2.0
365.12363	2.4
383.13263	5.7
545.17920	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	544.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88538	1.0
54.52533	1.0
55.01867	1.6
61.63522	1.0
63.27585	1.1
69.03416	1.5
69.50719	5.3
69.51131	1.6
74.06072	4.0
79.05478	1.1
81.03404	2.3
84.21346	1.0
85.02909	5.7
91.05480	3.1
93.07070	1.2
95.04948	1.1
97.02871	1.9
103.05461	36.9
105.07025	3.0
107.04960	3.5
115.05444	3.8
116.07090	1.0
119.04987	2.4
121.06509	2.3
123.04433	9.8
131.04919	44.3
131.08514	1.2
133.06488	3.5
135.04395	1.8
135.08032	3.2
137.05951	18.2
139.03868	1.3
143.04941	2.0
144.06544	1.3
145.06482	1.5
147.04401	9.6
148.05168	1.7
149.05971	19.5
149.73460	1.3
151.03900	2.5
151.07533	2.5
159.08076	2.0
161.05971	24.9
163.07529	23.7
164.08324	25.0
165.09088	3.4
167.07126	1.5
173.05989	5.0
175.07526	2.5
176.40450	1.4
179.07027	1.6
185.06007	1.1
187.07542	11.6
191.07037	1.9
205.08594	11.8
207.08076	1.9
209.08144	1.9
224.08257	1.3
235.07533	4.9
239.10696	2.3
252.07730	1.2
261.09201	1.3
267.10147	6.0
285.11194	100.0
286.11331	5.5
299.12817	2.2
311.09448	1.1
311.12711	30.8
313.93030	1.3
329.13803	15.1
330.14227	1.5
364.93936	1.1
420.07941	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68802	4.3
55.01865	7.6
57.03418	4.6
58.00845	5.0
58.59544	4.4
62.50003	4.5
69.03422	5.6
69.42542	32.1
71.04975	5.2
79.05506	8.7
81.03412	6.2
81.07068	11.0
81.09113	4.9
82.85994	5.1
85.02901	17.1
91.05466	29.5
93.07039	6.9
95.04980	7.1
97.02888	9.1
101.51806	4.7
103.05459	34.4
105.07036	19.4
107.04954	10.1
119.04929	34.9
121.06517	13.6
123.04434	15.8
123.33171	4.4
131.04953	23.9
133.06494	15.4
135.08017	8.8
137.05959	72.1
139.03876	15.4
139.07568	9.9
147.04379	22.1
147.51208	4.4
149.05959	50.3
151.07507	11.2
153.05406	6.0
159.08066	7.2
161.05963	13.5
163.07574	33.6
164.08316	69.6
165.05455	97.6
165.09149	29.7
167.07037	83.6
177.05460	26.7
179.07080	5.4
181.08659	9.3
183.06558	34.6
187.07526	17.7
191.07050	7.9
193.08647	26.2
205.08562	35.2
209.08134	14.1
217.08595	13.8
218.05814	5.4
221.08028	8.9
223.09665	30.7
231.10220	8.7
233.08063	100.0
234.08862	7.2
244.07364	7.4
245.08127	18.0
259.09805	10.8
263.09152	70.0
273.11270	11.6
285.11215	9.2
287.09055	36.4
290.08588	5.0
299.09198	8.9
301.10669	9.4
311.08997	9.5
311.12738	9.8
317.10110	22.6
329.10138	17.4
329.13562	5.0
347.11182	16.4
347.14856	62.3
365.12195	18.5
379.94656	5.3
410.62888	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	544.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27182	2.7
53.03929	3.2
54.32227	2.5
59.73817	2.3
63.65180	2.4
66.19946	2.4
67.05495	6.1
69.03437	5.4
78.61454	2.8
79.05488	7.0
81.03415	11.7
81.07055	4.2
91.05499	5.8
93.07002	2.4
95.04969	2.9
95.08595	2.9
97.06523	3.6
99.04408	3.2
105.07034	5.9
107.04951	9.6
107.08588	3.2
109.02865	5.0
109.06488	3.1
109.10149	14.5
111.04445	4.2
119.08572	5.8
123.04436	7.1
133.10182	3.6
135.08006	2.6
137.06032	4.7
137.09615	21.7
141.05502	2.3
142.62082	2.3
143.08601	6.2
145.10211	3.9
145.32201	2.5
147.08073	8.7
149.29358	2.5
151.03873	2.6
152.04660	4.7
153.01820	4.0
153.49268	2.8
154.06274	5.1
155.12585	2.9
161.09605	36.3
165.09109	36.5
166.09520	2.8
167.07069	8.5
179.10655	3.6
181.04901	17.8
185.08113	2.7
189.09117	7.1
195.06531	66.0
207.10130	33.9
210.88109	2.8
225.11244	8.2
236.42834	2.4
273.04187	3.3
339.10651	2.8
369.15448	3.2
387.16513	3.4
422.77164	2.5
544.18762	100.0
544.31915	5.6
545.19470	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	544.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.0
55.01866	10.4
55.05505	3.9
57.03432	1.5
67.05510	5.8
69.03422	10.5
69.07066	9.9
69.25848	5.5
69.26263	2.7
71.04996	6.2
76.43704	0.9
79.05502	9.1
80.29184	0.9
81.03415	21.3
81.07055	19.4
83.04974	3.0
84.59061	1.0
85.02892	3.9
85.06536	5.1
91.05458	6.6
93.07043	31.5
95.04951	3.3
95.08605	10.4
96.84773	1.0
97.02901	2.7
97.06523	11.5
99.04453	12.1
105.07027	22.6
107.04943	2.4
107.08590	45.1
108.08942	1.3
109.02882	22.8
109.06510	10.9
109.10119	2.0
111.04427	1.7
111.08092	4.6
111.11754	1.2
113.06013	3.7
117.06957	1.7
119.08590	7.4
121.06502	16.9
121.10140	24.5
123.08086	6.7
125.05979	1.5
127.03909	18.8
127.07573	1.7
130.07793	2.0
131.08559	3.5
133.06544	1.6
133.10184	1.3
135.08055	4.3
135.11685	12.7
137.05922	1.8
137.09592	1.2
139.07574	1.5
139.11218	3.3
145.10117	21.7
147.11716	3.9
149.09619	12.3
151.07523	7.5
157.08667	1.7
159.77341	1.0
163.11179	58.4
164.11548	2.0
167.10680	23.6
168.11034	1.1
169.08597	65.2
170.08989	1.2
173.09656	5.6
181.12206	14.6
185.11708	4.3
191.10654	29.4
201.11195	1.2
203.10640	1.4
209.11720	36.7
210.12001	1.9
227.12767	100.0
228.13202	3.1
236.15121	1.3
244.71358	1.2
245.14011	1.3
255.12253	1.2
269.13800	5.4
271.13281	1.6
277.10666	1.3
289.14383	2.9
293.13727	1.2
309.16818	1.3
311.14621	2.3
317.13815	2.7
335.14850	5.6
353.15933	32.0
353.20255	1.8
354.16183	2.3
371.16977	26.0
372.17282	1.3
375.03867	1.6
389.18106	1.8
544.31934	4.6
545.26019	1.2
545.33026	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	544.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86739	5.4
58.55009	5.2
58.56314	5.7
59.57489	5.1
67.05500	7.5
69.48363	10.2
69.48767	27.2
79.05476	17.2
81.07069	11.0
83.08669	6.6
85.66882	7.3
91.05496	17.5
94.04182	6.7
95.08640	8.1
98.22633	8.7
101.36584	5.7
103.05475	14.4
105.07030	15.2
106.97215	5.3
107.04964	57.7
107.08595	9.9
115.05476	10.1
117.07024	13.5
122.03643	9.1
131.04944	21.4
133.06494	8.3
137.05963	100.0
145.06361	7.1
145.10043	12.7
147.08038	6.1
151.03880	16.5
153.27339	5.3
163.07510	51.7
173.09607	16.3
175.07562	50.7
175.11032	6.3
203.10631	13.7
205.12234	90.7
207.08081	7.0
235.07565	11.1
239.10739	11.6
243.13785	65.4
267.10187	8.8
281.11600	9.5
295.13321	14.1
299.12793	80.6
320.10077	7.1
367.19019	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	545.144
Annotation	7,3',4'-Trihydroxyflavan-(3->O->4,4->O->3)-7,3',4'-trihydroxyflavan
Peak:m/z	Relative Intensity
53.11245	0.4
55.05521	2.2
65.20802	0.4
67.05508	4.1
67.17477	0.5
69.03466	0.4
69.07063	1.5
69.14332	3.5
71.04979	0.5
71.07352	0.4
76.63245	0.4
79.05504	2.0
81.07069	3.7
82.07394	1.1
83.08618	1.3
84.08958	0.4
86.09692	1.0
91.05492	2.4
93.07065	2.1
95.04982	0.5
95.08585	2.9
96.08957	0.7
97.06514	0.5
97.10178	1.1
105.07028	1.2
107.08590	1.5
109.10162	1.8
111.08042	0.5
117.07027	0.9
119.08598	1.9
121.10129	1.5
125.49464	0.4
131.08575	1.1
133.10143	1.2
135.11731	1.3
145.10165	1.4
146.98145	2.5
147.11696	1.1
148.98665	0.5
156.23346	0.5
157.10147	0.5
159.11699	0.5
177.16589	0.4
187.14796	0.7
189.11208	0.9
210.13379	0.5
214.79022	0.4
215.47754	0.5
327.06598	0.7
328.06760	0.5
338.06186	0.6
338.27689	0.6
339.28485	0.5
341.04465	0.7
342.04999	0.5
343.06113	1.2
353.04074	0.6
354.05228	1.0
355.06036	2.1
356.06467	0.6
357.07733	0.7
359.05313	0.6
363.06250	0.5
367.06055	1.0
368.06830	0.8
369.03729	0.9
369.07773	0.8
371.05338	1.1
372.06116	0.6
381.07880	1.1
382.04572	0.6
383.05414	5.7
383.09491	0.6
384.06314	1.3
385.07092	1.8
386.07880	0.9
387.04959	3.2
394.04688	0.5
395.05478	1.8
396.06329	1.4
397.07184	1.2
398.03705	0.6
398.08121	1.1
399.08868	2.5
401.06522	18.7
402.07031	1.2
409.07339	1.2
410.08069	1.0
411.04514	2.5
412.05609	1.2
413.06226	5.3
414.07291	6.1
415.08136	13.7
416.08661	1.2
423.04916	0.8
424.05914	0.8
425.06512	1.8
426.07300	7.5
427.08139	11.5
428.09042	3.6
429.05920	4.8
429.10043	3.6
430.06461	7.4
437.06375	0.5
438.07480	2.3
439.08057	1.5
441.10431	4.7
442.10309	1.3
443.07693	1.5
444.08429	7.5
445.09113	8.4
446.09326	0.7
453.09540	1.4
454.06754	0.8
455.07669	4.0
456.08200	7.3
457.05597	1.8
459.10706	20.1
460.11264	2.7
469.09225	0.9
470.09912	5.3
471.10718	12.4
472.07498	6.0
473.08350	1.1
485.12344	0.6
485.25452	1.4
486.26297	0.7
487.10251	12.1
488.10681	0.8
502.12622	6.0
503.13370	1.7
513.11414	0.8
545.14392	100.0
546.14703	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	545.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.4
57.03421	4.1
58.06601	1.0
61.02932	1.1
67.05508	0.9
69.03439	1.3
71.32812	1.5
73.02908	4.6
79.05491	1.3
85.02900	2.1
91.05467	1.6
95.04968	1.3
97.02893	2.2
105.07014	1.2
107.04948	16.4
107.08545	1.4
109.02910	1.1
115.03943	1.6
129.03090	2.7
135.08017	1.6
137.05963	2.8
167.07025	2.0
171.04250	2.1
181.08678	1.1
185.04230	1.2
203.05275	2.4
236.14914	2.0
317.08353	13.0
337.08810	3.0
355.06006	1.2
358.92709	1.0
470.48083	1.1
545.15540	100.0
545.33472	12.2
546.16144	10.6
546.36053	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.4
57.03421	4.1
58.06601	1.0
61.02932	1.1
67.05508	0.9
69.03439	1.3
71.32812	1.5
73.02908	4.6
79.05491	1.3
85.02900	2.1
91.05467	1.6
95.04968	1.3
97.02893	2.2
105.07014	1.2
107.04948	16.4
107.08545	1.4
109.02910	1.1
115.03943	1.6
129.03090	2.7
135.08017	1.6
137.05963	2.8
167.07025	2.0
171.04250	2.1
181.08678	1.1
185.04230	1.2
203.05275	2.4
236.14914	2.0
317.08353	13.0
337.08810	3.0
355.06006	1.2
358.92709	1.0
470.48083	1.1
545.15540	100.0
545.33472	12.2
546.16144	10.6
546.36053	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31280	0.4
57.03421	0.7
61.85005	0.4
61.86018	0.4
65.51101	0.4
69.03397	1.4
70.68641	1.3
79.01836	1.3
81.03390	0.7
81.07091	0.5
85.02901	3.1
91.05441	0.4
94.22708	0.5
97.02859	0.9
109.02851	0.9
127.03876	0.5
131.04892	0.6
145.04988	0.5
147.04422	0.6
152.87195	0.6
163.07516	0.6
165.05519	0.9
177.05396	0.8
177.09096	1.0
183.01122	0.5
183.02802	0.6
189.05495	0.5
191.07085	0.8
193.04976	0.6
193.08594	1.8
203.06860	0.6
205.05006	1.0
205.08539	1.1
206.09354	2.4
209.08113	1.2
215.03540	0.6
217.05005	3.9
217.08464	0.9
218.05666	1.4
219.02733	0.7
219.06439	2.1
220.07222	1.6
221.08064	5.0
230.05812	0.9
231.06485	1.2
232.07320	1.1
233.08083	61.9
234.08839	22.2
235.06184	0.6
235.09457	2.2
241.04947	0.7
243.02858	1.6
243.06581	0.9
244.07237	1.1
245.08093	11.6
246.08601	0.7
247.05974	1.4
247.09636	10.9
248.06773	3.8
248.10233	0.5
257.05847	0.5
257.07971	2.7
258.08841	4.4
259.05997	3.1
259.09546	3.3
261.03870	1.2
261.07574	2.5
263.09140	96.7
264.09546	3.7
271.09714	0.9
272.06805	0.7
273.07632	2.4
273.11185	16.4
274.11453	1.0
275.09146	5.5
277.10629	1.4
283.09680	0.8
285.07492	0.7
287.09122	22.3
288.09546	1.3
293.10141	4.2
299.09229	1.9
301.10684	7.1
305.10129	2.6
311.09311	0.5
317.10144	13.6
318.10565	0.7
329.10172	10.0
330.10571	0.7
347.11255	21.5
348.11435	0.8
365.12311	28.2
366.12595	1.4
383.13345	100.0
384.13687	6.4
543.66522	0.5
545.18585	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45264	0.4
55.01854	0.9
57.03428	0.7
60.34933	0.5
61.02883	0.5
62.88088	0.5
63.63484	0.4
67.05492	1.0
69.03421	2.2
71.34017	0.6
73.02914	0.8
80.16800	0.5
81.03403	1.3
85.02902	6.4
88.07713	0.5
97.02884	2.7
107.04926	0.6
109.02858	1.6
113.05986	0.6
121.02861	0.6
123.04422	1.1
127.03900	1.5
131.04875	0.5
137.05943	1.0
139.03905	0.9
147.04431	0.6
151.03908	0.7
153.01811	1.9
167.07066	0.9
177.05377	0.6
179.07002	1.3
189.09152	1.2
201.05594	0.6
202.06253	0.6
215.06956	0.9
216.07852	0.8
217.04953	1.3
217.08575	11.0
218.05669	3.2
219.02663	0.6
219.06590	0.8
219.43161	0.5
220.07317	2.0
221.01341	0.5
221.08018	4.4
223.05823	0.9
228.07899	0.5
229.04948	1.1
229.08591	1.1
230.05728	3.3
231.10136	7.0
233.08069	100.0
234.08687	10.5
235.09515	0.6
243.02733	0.6
243.06544	1.7
243.81419	0.5
244.07327	4.8
245.08066	12.0
245.11794	1.3
246.08452	0.5
247.05972	1.5
247.09665	2.7
248.06816	1.8
255.10170	1.6
257.07965	2.3
258.08832	2.8
259.06079	2.4
259.09622	21.0
260.10013	1.3
261.07816	0.6
263.09125	92.8
264.09540	4.1
271.09531	2.8
273.11209	12.2
274.11642	0.5
275.00879	0.5
275.09357	0.6
283.06799	0.6
283.09644	4.2
285.07602	0.9
287.09119	45.2
288.09454	2.0
293.04581	0.6
295.05966	0.8
296.06870	0.5
299.09113	10.2
300.09482	0.8
301.10553	2.5
305.00018	0.6
305.10150	0.6
311.09082	12.2
312.09598	0.6
313.07010	0.7
317.10162	28.0
318.10571	1.4
329.10150	19.4
330.10431	0.7
347.11227	19.3
365.07227	1.0
365.12286	30.5
366.12674	1.7
383.13327	9.8
384.13919	0.9
393.05832	1.3
419.31287	0.6
425.14404	1.0
431.66345	0.5
451.46469	0.5
527.16895	1.3
545.10803	0.6
545.18622	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47918	0.6
61.02902	0.6
69.03439	1.5
70.35164	1.9
71.04967	0.6
77.98299	0.6
79.01841	1.3
81.03422	1.6
84.08083	0.7
85.02911	4.2
95.04992	0.8
97.02900	1.7
107.04967	0.7
107.15055	0.6
109.02880	0.8
153.01785	1.6
163.03856	1.2
193.08638	1.5
205.05046	1.1
205.08661	1.3
206.09395	2.6
209.08173	1.7
215.07211	0.9
217.04990	4.0
217.08548	1.0
218.05728	1.0
219.06419	1.0
220.07291	1.2
221.08133	2.9
233.08076	49.9
234.08842	19.5
235.09373	1.2
241.04857	0.7
242.08144	1.3
243.02867	1.2
244.07294	1.2
245.08080	10.2
246.08684	0.8
247.05966	1.4
247.09647	7.5
248.06778	2.4
257.08105	1.6
258.08865	3.9
259.06018	2.0
259.09674	2.8
261.04028	1.2
261.07547	2.7
263.09146	65.6
264.09470	2.7
273.07849	1.2
273.11224	13.0
275.09192	2.8
277.10721	1.6
287.09116	15.9
288.09222	1.0
293.10162	4.7
299.09174	1.1
301.10669	6.4
305.10330	1.6
317.10178	11.2
329.10175	7.7
347.06915	0.9
347.11234	19.3
348.11893	0.9
365.08749	0.5
365.12299	20.8
383.13348	100.0
384.13657	5.5
442.04797	0.7
545.18469	7.1
546.18420	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65691	0.2
53.03923	0.8
54.71101	0.3
55.01857	0.8
56.16632	0.3
57.03438	2.3
61.02928	2.0
61.85021	0.4
67.05479	0.3
69.03073	0.4
69.03429	6.2
69.40013	2.0
71.04964	0.8
73.02908	1.4
81.03413	2.5
85.02902	19.9
87.04456	0.6
91.03933	0.6
95.04954	0.3
97.02886	5.4
99.04424	1.1
103.03940	4.1
103.05456	0.3
103.36510	0.3
109.02879	2.5
115.03928	0.3
122.35695	0.3
123.04388	0.3
127.03910	2.9
137.05869	0.3
140.19325	0.3
143.95894	0.3
145.04927	1.7
149.02267	0.4
151.03906	0.3
163.07472	0.3
165.01878	0.8
167.03334	0.4
174.06754	0.7
179.07013	1.1
181.01105	0.3
189.09090	0.8
198.70988	0.3
202.06235	0.7
203.03288	0.3
205.04974	0.3
205.08650	0.4
216.07753	0.4
217.05211	0.5
217.08594	10.8
218.05730	2.7
218.09061	0.4
219.06476	0.8
220.07277	1.9
221.08093	3.7
229.05026	0.8
230.05820	1.9
231.06476	0.3
231.10144	2.9
233.08078	59.1
234.08783	7.7
235.09415	0.5
239.07016	0.4
243.06477	1.3
243.10129	0.5
244.07303	2.6
245.08099	9.2
245.11745	0.9
246.08728	0.6
247.06065	1.0
247.09698	1.3
248.06801	1.8
249.07463	0.4
255.10164	1.2
257.08090	2.3
258.08844	1.3
259.06113	0.8
259.09659	11.2
260.10068	0.5
261.07541	0.5
263.09140	100.0
264.09491	4.1
271.09531	1.8
273.11191	6.3
275.09100	0.4
283.09546	1.6
285.07574	0.6
287.09113	24.1
288.09415	0.9
296.06964	0.3
299.09119	8.7
300.09482	0.7
301.10654	1.1
305.10098	0.4
311.09125	6.2
313.07074	0.6
317.10187	16.4
318.10547	1.0
329.10178	10.9
330.10498	0.5
347.06891	0.5
347.11237	11.1
348.11697	0.5
365.12292	19.8
366.12598	1.0
383.08447	0.4
383.13367	7.8
527.17737	1.1
528.18433	0.4
545.17920	2.0
561.29993	0.3
566.67084	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.199
Annotation	Bistratamide H
Peak:m/z	Relative Intensity
70.45061	0.7
79.05499	0.6
85.10024	0.2
105.07015	0.3
107.04956	1.0
119.94548	0.2
120.75764	0.2
121.06516	0.3
123.04390	0.6
126.57899	0.2
135.04402	0.7
137.02379	0.3
137.05971	0.9
139.03876	0.2
149.06024	0.4
150.24420	0.2
151.03928	0.6
167.07027	1.8
177.05380	0.3
217.49635	0.3
301.10696	0.5
331.46890	0.3
375.98227	0.5
393.05814	0.5
393.99261	0.3
448.82190	0.2
452.29395	0.3
464.16974	0.2
515.18738	2.0
527.19427	0.3
545.19897	100.0
546.20227	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	545.199
Annotation	Bistratamide H
Peak:m/z	Relative Intensity
56.71560	0.3
58.76165	0.3
64.69633	0.3
69.63449	0.5
69.63741	1.8
69.95063	0.3
81.07066	0.4
86.08402	0.3
95.32629	0.3
97.02641	0.6
105.07050	0.5
107.08593	0.5
113.02098	0.4
119.08533	0.4
121.10118	0.4
136.08371	0.4
137.05983	0.7
141.05293	0.7
157.04831	0.5
161.02048	0.8
162.02875	0.4
163.07564	0.6
167.07072	0.3
169.04747	0.4
185.04190	2.1
189.05334	0.4
201.05209	36.4
202.05972	16.2
203.06651	1.1
203.82095	0.4
217.08347	0.3
219.06369	0.5
290.16418	0.4
351.11765	0.3
364.11209	13.5
365.11856	3.5
383.14651	4.5
506.87585	0.4
545.19873	100.0
545.33728	4.8
546.20270	7.9
556.76099	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12307	0.2
55.05474	0.2
57.03419	0.4
58.06588	0.3
68.32210	0.2
69.03398	0.6
69.08780	0.5
69.09187	1.7
71.04966	0.7
73.02884	0.5
73.12022	0.2
79.58747	0.2
81.07037	0.4
85.02873	0.8
91.05457	0.4
93.07040	0.3
95.01028	0.3
95.08578	0.3
96.01850	0.3
97.02831	0.7
105.07011	2.4
107.08564	0.8
109.06441	0.3
115.03889	0.5
117.03360	0.4
119.08545	1.0
125.02109	0.4
127.03851	0.3
128.06184	0.3
131.08505	0.3
133.04988	0.4
133.10085	0.4
141.05179	0.4
143.08556	1.5
145.02817	1.4
145.04826	0.2
145.10103	0.6
157.04698	0.2
157.10068	1.1
161.02124	0.6
162.02917	0.4
169.04742	0.5
177.05449	2.6
185.04175	2.4
193.64748	0.2
199.07263	0.3
199.14819	4.0
201.05217	39.3
202.05978	15.9
202.07976	0.4
203.06664	1.0
207.06514	2.1
213.08812	0.3
217.15858	9.5
236.15018	1.2
324.08069	0.7
347.11282	0.4
349.14206	0.3
364.11246	14.6
365.11935	4.1
375.14096	1.2
383.14609	5.6
384.14981	0.4
390.24905	0.3
510.34427	0.3
545.19891	100.0
546.20276	8.5
546.36322	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24924	0.4
58.61446	0.4
59.82971	0.5
69.58968	1.0
69.59383	1.3
90.04891	0.4
90.05478	0.4
97.02666	0.7
98.23259	0.5
105.07024	0.8
107.08582	0.7
119.08652	0.5
126.85310	0.4
135.08043	0.7
136.08411	0.5
137.05954	1.0
140.61787	0.4
141.05322	0.6
161.02150	0.9
163.07541	0.6
181.08626	0.5
185.04195	2.3
201.05217	45.0
202.05984	19.4
203.06721	1.4
364.11252	13.3
365.11996	3.8
383.14636	4.8
545.19891	100.0
545.33533	6.5
546.20306	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	545.1994
Annotation	Bistratamide H
Peak:m/z	Relative Intensity
57.29859	0.3
69.20815	0.3
71.33063	0.3
72.16260	0.3
77.52634	0.3
79.05495	0.3
91.05476	0.4
96.09294	0.3
107.04968	0.3
109.02829	0.5
111.04504	0.3
123.04470	0.6
131.04872	0.3
137.05989	1.1
139.03918	0.6
151.03912	0.3
153.01833	1.8
153.06989	0.3
161.06007	0.6
167.07022	0.6
177.05515	0.5
179.40752	0.3
197.08109	0.5
203.05290	0.8
277.44043	0.3
357.12201	1.0
361.16678	0.5
365.13742	0.5
409.33246	0.3
410.28537	0.3
485.16992	0.3
527.11603	0.8
545.19928	100.0
546.20349	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	545.1995
Annotation	7,5'-Dihydroxy-5,4'-dimethoxy-3'-prenylisoflavone 7-O-galactoside
Peak:m/z	Relative Intensity
51.03664	0.2
51.10160	0.2
55.05494	0.4
58.06580	0.3
67.05479	0.9
69.03414	0.5
69.07042	0.5
69.21972	1.2
69.22394	0.7
71.04973	0.3
79.05482	0.9
81.07050	1.3
83.08601	0.4
83.78635	0.2
85.02871	0.5
91.05476	0.7
91.92735	0.2
93.07002	0.8
95.04927	0.2
95.08563	0.8
95.28357	0.2
97.06503	0.3
100.11219	0.8
105.04490	0.3
105.07006	0.8
107.08586	0.6
109.10157	0.6
111.08082	0.2
115.75543	0.2
117.07099	0.3
119.08541	0.8
121.06519	0.4
121.10122	0.4
122.07379	0.2
123.08051	0.3
125.09587	0.3
128.06165	0.2
131.08536	0.3
133.10118	0.4
135.08099	0.3
135.11699	0.3
145.10091	0.4
149.09496	0.3
161.13129	0.3
178.02338	0.5
179.03139	0.5
182.15474	0.3
185.04185	0.5
191.67004	0.2
204.88062	0.2
210.14958	0.4
213.08910	0.3
227.10460	1.7
236.15012	0.5
307.12982	0.3
319.09329	0.7
333.36658	0.3
351.11917	1.8
355.15292	0.5
383.14627	100.0
384.14972	7.0
424.17395	0.3
442.22388	0.3
458.21582	0.3
524.76025	0.3
545.19855	25.8
545.33301	0.9
546.20245	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	545.3468
Annotation	Luvungin E
Peak:m/z	Relative Intensity
55.05511	11.3
57.03405	1.3
67.05504	10.1
68.05830	1.6
69.07064	7.8
69.49554	7.0
69.49960	3.1
72.27951	1.2
76.11096	1.4
78.10044	1.4
79.05476	9.1
81.07048	19.5
83.04967	5.1
83.08617	12.4
87.07711	1.4
91.03547	1.4
91.05462	8.7
93.07037	14.5
95.04945	1.9
95.08598	23.3
96.31138	1.5
97.06515	2.9
97.10147	1.8
98.23390	1.9
99.54163	1.3
105.07024	25.4
107.08583	19.9
109.02825	1.6
109.06512	2.6
109.10140	9.2
111.08086	4.9
117.07001	4.6
118.58802	1.2
119.08566	25.6
119.09391	1.6
121.06493	4.0
121.10139	12.4
123.08032	2.4
123.11699	6.0
125.09639	2.0
128.06198	1.5
129.06976	2.1
131.08571	11.1
133.10112	19.8
135.08076	3.4
135.11679	7.6
137.09602	3.0
139.07541	2.1
142.07732	3.0
143.08543	7.0
145.10115	11.1
147.08049	4.2
147.11674	11.4
149.06020	1.5
149.09653	3.9
149.13248	4.1
151.11201	1.5
155.08528	4.6
156.09317	2.4
157.08904	2.0
157.10085	11.7
158.10861	2.0
159.03438	1.4
159.08043	2.4
159.11700	9.5
161.09607	6.2
161.13283	4.9
163.11110	1.4
163.14828	4.4
169.10097	3.4
170.10780	1.9
171.11699	6.2
173.09645	3.1
173.13239	14.8
175.09619	4.8
175.11092	3.0
175.14822	16.0
177.12827	1.4
177.16312	2.1
180.22438	1.4
181.10083	1.5
182.10895	1.6
183.11658	3.6
185.13251	12.5
187.11174	1.8
187.14825	10.8
189.16377	8.4
191.14252	2.3
195.11858	1.6
197.13199	3.2
199.11172	2.0
199.14769	6.4
201.12779	3.8
201.16356	3.7
203.14340	6.0
205.15837	2.9
209.13174	3.4
209.25156	1.8
211.14825	3.8
213.08852	1.4
213.12831	6.6
213.16461	3.0
215.14287	7.0
217.15817	4.9
223.14833	2.1
225.16364	2.8
227.14352	2.0
227.17963	1.5
229.15831	3.4
231.13838	12.6
233.15421	1.9
239.17998	1.8
249.14761	2.2
257.18927	2.2
263.18008	1.7
273.18399	1.4
279.23206	4.2
289.19495	1.8
357.24261	1.5
359.22220	1.4
373.28799	2.1
385.27823	2.7
403.30130	7.2
409.27530	2.2
417.29910	2.3
421.31015	16.0
423.29102	1.6
435.30325	1.7
437.30472	11.1
449.30450	29.7
450.30402	2.4
467.31540	100.0
468.31662	8.8
485.32587	55.7
485.37860	1.0
486.32483	3.1
545.34674	19.9
546.34491	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	545.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64900	1.7
53.03940	5.1
55.01882	8.7
55.05510	55.4
57.03437	11.7
57.07069	4.7
59.05006	2.6
59.86191	1.9
65.03937	6.8
67.05504	98.6
68.05826	3.6
69.03434	7.0
69.07064	24.7
69.29906	14.0
69.37786	2.0
71.04977	5.5
79.05492	69.8
81.03410	32.1
81.07056	100.0
82.07407	2.4
83.04969	8.7
83.08617	29.1
85.06535	6.5
91.05475	69.0
93.07041	67.5
95.04974	32.0
95.08604	60.1
97.06533	7.4
97.10162	28.8
99.08067	2.6
101.06068	2.4
103.05463	1.9
105.04528	1.9
105.07030	54.1
105.07724	3.1
107.04948	7.3
107.08595	42.0
109.06548	8.7
109.10158	29.4
111.08086	8.2
115.05424	1.9
117.07021	23.1
119.08575	45.4
121.06516	12.4
121.10137	27.5
123.04426	4.2
123.08053	8.1
123.11691	12.6
125.09642	18.7
128.06230	2.8
129.06990	14.9
131.08566	40.2
133.06482	6.7
133.10115	33.4
135.08075	9.1
135.11690	20.8
137.09595	4.2
137.13304	2.2
139.11208	2.5
141.07037	2.8
142.07809	2.8
143.08553	15.7
144.09319	2.0
145.06505	3.6
145.10123	30.4
147.08047	6.1
147.11667	23.1
149.09610	7.9
149.13246	8.9
151.11119	2.2
153.09145	2.2
155.08583	5.5
157.10133	12.9
159.08011	3.5
159.11697	19.6
161.09607	3.0
161.13202	11.2
163.11174	3.2
163.14816	4.8
165.12752	2.1
167.08612	2.8
169.10121	9.1
171.10399	2.5
171.11650	11.8
173.09726	2.3
173.13275	14.2
175.11197	5.5
175.14842	4.0
181.10138	2.6
183.11661	6.0
185.13281	7.9
187.11168	2.6
187.14789	8.8
189.11247	12.6
189.12703	2.9
191.14252	2.0
193.12228	9.9
194.55022	1.8
195.11713	2.3
195.13783	3.9
197.13281	4.3
199.14793	5.0
201.16470	3.4
203.14450	2.0
203.17915	2.2
211.13130	2.6
211.14905	3.5
213.16446	2.5
215.14389	2.0
219.17358	2.1
223.13165	1.9
227.12717	19.6
227.14319	1.9
231.17464	2.1
231.21046	2.7
233.15242	2.6
243.21169	3.5
247.16875	4.3
249.18448	3.1
259.20560	6.8
261.22144	15.4
267.15848	25.6
269.17532	5.5
273.18500	3.0
279.23132	2.9
285.22183	4.5
287.20255	2.6
299.23627	3.0
301.21893	4.1
301.25217	25.3
302.25546	2.8
303.23254	3.9
309.21078	2.2
315.23221	1.9
317.24731	4.8
329.20975	2.1
329.24609	2.9
331.22940	2.1
333.24185	4.2
335.25824	15.2
357.27914	2.3
359.25958	3.5
421.26016	3.3
435.27451	2.2
435.32458	10.2
453.33743	17.8
471.34781	12.1
472.35638	2.3
509.36111	3.0
527.37268	58.2
528.37927	4.6
545.38367	92.7
546.38739	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	545.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53357	1.7
53.03948	6.7
54.32910	1.5
55.01869	5.0
55.05515	39.4
57.03444	10.7
57.07064	4.9
59.04995	1.8
65.03925	3.4
67.05505	80.4
68.05844	3.1
69.03440	5.2
69.07063	23.2
69.22193	10.8
71.04986	5.9
79.05494	74.2
80.40374	1.6
81.03423	47.0
81.07058	84.7
83.04972	10.3
83.08619	31.9
85.02912	19.2
85.06530	4.2
91.05480	55.4
93.06445	3.5
93.07045	68.6
95.04969	33.5
95.08607	54.6
96.08841	1.5
97.02934	1.9
97.06537	10.2
97.10171	22.0
97.68363	1.7
99.08105	2.3
103.05509	2.4
105.04550	2.6
105.07034	44.1
107.04961	8.0
107.08600	42.5
109.06535	7.7
109.10152	25.9
111.08060	11.8
115.05462	2.9
117.07017	18.0
119.08578	40.7
121.06503	7.2
121.10148	28.6
123.08093	6.9
123.11730	9.4
125.09632	12.7
128.06171	2.6
129.07004	14.0
131.08571	28.5
133.06508	3.1
133.10136	24.4
135.08076	6.0
135.11670	19.3
135.12503	1.8
137.09642	5.7
137.13228	2.3
141.06935	2.3
142.07710	2.4
143.08545	10.4
145.10147	19.7
146.10538	1.8
147.08095	4.5
147.11673	20.6
149.09639	7.1
149.13272	8.7
151.11079	2.0
155.08568	5.1
157.10139	13.8
159.08209	2.5
159.11699	16.9
161.09630	3.3
161.13280	7.0
163.11234	3.6
163.14853	6.7
165.12732	2.8
169.10175	7.4
171.11700	6.9
173.09818	2.0
173.11911	2.3
173.13203	10.6
175.11208	11.7
175.14854	5.1
177.12628	1.6
181.10114	3.0
183.11786	5.8
185.13264	3.7
187.13364	2.3
187.14883	5.6
189.11223	9.6
193.12245	33.4
195.77052	1.9
197.13205	2.7
199.14845	5.1
209.13248	2.6
211.13269	25.4
211.14972	1.7
212.13708	1.9
213.16566	2.6
227.12828	9.2
240.54961	1.6
243.15639	2.2
243.21234	2.8
249.14668	2.1
256.26456	2.2
259.20602	2.8
261.19687	2.1
261.22141	13.0
267.15897	14.2
271.20700	1.8
273.18402	1.8
279.23267	3.0
283.20660	1.6
283.24362	3.6
285.22186	3.0
299.23703	2.7
301.25180	15.0
303.23111	2.1
317.24750	3.7
329.24805	1.9
335.25854	9.0
359.26004	1.9
377.69412	1.9
396.75266	1.8
417.31876	1.9
421.26300	2.2
435.32611	8.7
453.33603	12.0
465.65924	1.9
471.34763	8.7
509.36365	2.2
527.37402	38.0
528.37726	5.0
545.24188	3.8
545.38348	100.0
546.38739	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	545.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	2.1
53.03955	6.3
55.01870	9.8
55.05509	49.7
55.05779	2.6
57.03444	13.7
57.07064	4.6
59.05010	1.6
64.86278	1.4
65.03945	3.5
67.05503	95.3
68.05836	1.9
69.03430	7.4
69.07063	22.7
69.67793	1.1
70.72486	1.1
71.05000	8.9
77.76127	1.3
79.05492	67.7
81.03416	44.5
81.07054	95.0
82.07402	2.0
83.04980	9.1
83.08615	33.5
84.33400	1.3
85.02909	3.1
85.06536	5.7
91.05477	55.6
93.07045	59.7
95.04966	31.1
95.08604	56.9
97.02905	1.4
97.06533	7.4
97.10171	30.1
97.10754	2.5
99.08173	3.1
105.04533	2.8
105.07025	47.8
107.04945	10.6
107.08591	43.9
109.06535	7.4
109.10153	38.3
111.08059	8.2
115.05474	2.9
117.07024	19.3
119.04955	1.6
119.08574	42.4
121.06509	11.5
121.10132	24.5
122.28123	1.4
123.08039	7.4
123.11707	12.9
125.09624	22.2
128.06248	2.8
129.06999	15.7
130.07796	1.6
131.08566	40.7
133.06500	6.9
133.10121	31.4
135.08052	8.8
135.11684	20.0
136.12111	1.5
137.09663	4.0
137.13254	2.5
141.06982	3.2
142.07813	4.0
143.08589	13.2
145.06496	4.1
145.10114	26.6
147.08058	5.5
147.11679	20.2
149.09622	6.8
149.13216	8.0
151.11205	2.7
153.09109	2.1
155.08607	5.0
157.10126	16.4
159.08038	3.0
159.11673	19.5
161.09625	4.0
161.13268	10.3
163.11223	5.8
163.14832	3.8
165.12717	2.7
167.08598	1.6
169.10081	6.2
171.10294	2.5
171.11716	8.5
173.09673	2.6
173.11797	2.2
173.13205	15.0
175.11237	5.8
175.14845	5.8
177.12753	2.7
177.16458	2.1
181.10143	1.7
183.11728	4.6
185.13240	9.1
187.11243	1.6
187.13339	1.7
187.14854	7.4
189.11230	16.4
189.12820	2.1
189.16388	2.5
191.14308	2.5
193.12230	16.2
195.11806	2.2
197.13353	4.1
199.14880	5.2
201.12704	1.5
201.16408	2.6
203.14250	2.6
205.12178	1.3
205.15845	1.7
209.13301	1.5
211.13303	4.6
211.15004	2.7
213.12782	1.7
213.16374	2.5
219.13802	2.5
223.15048	1.7
225.16464	3.0
227.12744	19.1
233.15436	4.2
234.61920	1.3
243.21109	3.0
247.16841	2.9
259.20483	2.2
261.18469	2.1
261.22141	19.6
262.22427	1.6
267.15918	31.0
268.16251	2.9
273.18372	2.3
275.20279	2.9
275.62952	1.3
279.23239	4.3
281.21362	1.4
283.24341	2.9
285.22186	5.3
287.20071	3.2
299.23776	5.3
301.21783	1.4
301.25226	28.9
302.25705	2.0
303.23306	3.0
315.19583	1.9
317.24786	3.0
333.23892	1.4
335.25833	19.4
339.23337	1.8
341.24612	2.6
343.23090	1.3
359.25995	3.8
407.76044	1.4
417.26431	2.2
417.31467	3.2
421.25909	2.2
435.32504	10.3
453.33630	19.2
454.34659	1.7
471.34595	13.0
489.36115	1.7
491.35513	2.5
509.36392	3.4
527.37323	62.5
528.37659	7.3
545.38379	100.0
546.38696	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	545.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	9.3
55.01875	7.5
55.05510	48.9
57.03436	14.2
57.07073	4.6
59.05000	1.7
65.03937	4.9
67.05505	100.0
68.05836	2.9
69.03425	6.3
69.07069	23.8
71.04993	4.2
77.03921	1.7
79.05495	67.1
81.03414	39.0
81.07056	82.2
83.04982	12.3
83.08624	27.6
85.02925	1.8
85.06561	4.5
88.52141	1.6
91.05483	57.0
91.06062	2.9
93.06451	2.9
93.07043	55.9
95.04975	32.0
95.08607	55.3
97.06536	8.3
97.10169	30.8
98.22598	2.9
99.08083	1.6
105.04548	2.5
105.07035	50.3
105.07741	2.7
107.04967	10.1
107.08595	45.3
109.06510	11.3
109.10162	37.3
111.08063	8.0
115.05440	3.8
117.07011	22.6
119.04947	2.0
119.08582	36.9
121.06528	9.8
121.10144	24.6
123.08073	8.0
123.11719	15.5
125.09646	22.0
128.06204	2.5
129.07008	17.2
131.08562	35.5
133.06508	4.3
133.10127	31.4
135.08043	9.6
135.11687	18.2
137.09624	6.4
137.13248	2.3
137.67377	1.7
141.07016	1.9
142.07793	3.8
143.08586	12.7
145.06511	3.7
145.10132	26.0
147.08026	7.5
147.11670	20.7
149.09618	5.8
149.13252	10.1
151.11159	2.8
153.09135	2.2
155.08582	6.6
157.10100	9.9
159.08107	3.4
159.11711	20.8
161.09586	2.8
161.13266	10.3
163.11209	4.0
163.14842	3.7
165.12709	1.5
167.08653	2.0
169.10197	6.9
171.10272	3.6
171.11728	9.6
173.09596	1.7
173.13271	14.0
175.11230	6.1
175.14850	5.6
177.12788	3.1
181.10129	3.7
183.11693	5.0
185.09604	1.9
185.13298	6.3
187.11238	3.1
187.14876	6.7
189.11150	13.1
189.12578	2.0
189.16461	2.8
191.14436	1.8
193.12253	12.4
195.11818	2.1
197.13266	3.5
199.14862	6.9
201.16452	4.5
209.13179	1.7
211.13277	4.1
211.14932	3.9
213.12877	2.1
213.16409	2.4
215.17999	1.7
225.16479	2.0
227.12737	15.8
231.17381	2.0
233.15370	3.0
243.21196	3.9
247.16940	3.4
249.14980	1.8
261.18747	1.6
261.19333	2.0
261.22156	18.1
267.15909	22.7
273.18518	1.7
275.20255	1.9
279.23297	3.4
283.24130	1.9
285.18503	2.0
285.22015	5.3
299.23715	3.2
301.25250	24.2
303.23151	4.4
317.24603	1.9
329.21115	2.3
335.25803	21.4
359.25784	3.4
404.25601	1.6
417.26367	1.8
417.31659	2.6
435.27472	2.6
435.32578	12.9
453.33676	16.0
471.34656	13.6
509.36127	2.2
527.37408	49.3
528.37463	4.9
545.38361	93.0
546.38593	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	545.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	1.8
51.02583	1.0
51.52910	0.9
53.03947	9.0
55.01868	4.5
55.05511	39.3
57.03433	12.0
57.07074	2.5
58.03613	1.0
59.04990	1.9
65.03947	6.0
67.05505	88.5
68.05839	1.0
69.03441	5.6
69.07068	22.2
69.18592	9.2
71.04998	9.4
77.03916	1.7
79.05490	84.2
80.05837	1.5
80.39341	1.0
81.03416	58.2
81.07055	86.1
82.07400	2.2
83.04979	17.0
83.08619	29.3
83.47614	0.9
84.08929	1.1
85.02486	0.6
85.02903	32.3
85.06561	5.3
91.05479	70.0
93.07043	83.8
94.07357	1.2
95.04969	37.2
95.08603	54.3
96.08945	1.2
97.02892	1.7
97.06530	8.6
97.10157	10.4
99.04528	1.1
99.08105	1.9
103.05458	1.5
105.04515	1.8
105.07030	52.5
106.70940	1.2
107.04969	7.2
107.08593	36.1
108.08929	1.1
109.06520	6.2
109.10151	21.1
111.04453	3.3
111.08084	15.1
111.44695	1.0
113.06009	2.3
115.05469	4.0
117.07015	13.0
119.08578	37.4
120.08921	1.1
121.06509	3.9
121.10141	38.7
123.04430	4.6
123.08085	3.1
123.11711	9.5
125.09620	6.9
128.06200	1.3
129.06987	14.7
130.07820	1.2
131.08560	29.9
133.06505	2.3
133.10126	22.6
135.08043	2.7
135.11671	17.0
136.12030	1.2
137.05978	2.1
137.09634	3.3
137.13153	1.0
139.11244	1.7
141.07014	1.7
142.07803	3.7
143.08528	5.6
145.06512	1.4
145.10120	15.1
147.08072	2.9
147.11679	22.9
148.41069	1.2
149.09608	8.3
149.13264	7.7
151.07597	1.5
151.11197	1.8
155.06993	1.1
155.08556	2.7
157.10126	16.5
159.11691	10.7
161.09654	1.9
161.13234	7.2
163.11189	2.5
163.14882	2.3
165.12799	4.3
167.08501	1.1
169.10201	3.2
171.11716	4.5
173.13245	7.6
175.11169	18.3
175.12611	1.2
175.14850	3.7
177.16454	1.5
183.11603	1.8
185.13298	3.1
187.14806	4.4
189.11240	4.3
189.16365	1.3
193.12238	58.5
194.12575	2.4
195.11937	1.2
195.13814	1.1
197.13281	2.6
199.14859	2.4
201.16466	2.0
203.10733	1.8
207.13652	1.2
209.13292	1.8
211.13268	58.6
212.13739	1.4
227.12823	3.0
243.21191	3.5
261.22095	10.0
267.15927	8.1
273.22302	1.3
275.20074	1.1
279.23340	1.5
285.17188	2.1
285.22168	1.6
299.23767	1.4
301.25015	7.0
317.24817	3.1
335.25882	4.7
359.25751	1.3
417.26242	1.3
417.31409	1.2
435.32669	6.1
453.33679	6.8
471.34631	3.8
509.36032	1.7
527.37341	21.4
528.37750	2.9
545.24261	3.5
545.38367	100.0
546.38782	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	546.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91194	1.8
53.03941	1.5
55.05503	2.9
57.03460	2.4
58.06586	5.3
59.07373	2.1
65.03938	2.3
67.05503	21.0
69.03448	2.2
71.04974	2.2
75.00417	1.5
75.04478	2.3
79.05479	4.4
81.03409	6.7
81.07047	19.0
85.02912	2.8
91.05536	1.7
93.07025	2.8
95.01295	2.0
95.04979	4.7
95.08594	6.1
97.02866	3.2
98.84628	1.4
99.04440	2.0
107.08624	2.9
109.02876	6.9
109.06587	1.8
109.10149	79.2
110.03664	5.8
110.10468	2.9
111.04453	3.5
119.08596	4.3
120.99915	1.7
125.05982	26.8
127.03912	4.6
137.05980	4.6
137.09610	56.5
139.03949	5.0
147.08020	2.4
153.05455	50.9
154.06244	17.4
155.10672	16.7
162.11209	1.6
165.09108	62.4
166.09454	3.1
170.05708	4.0
183.10231	11.0
185.08084	100.0
186.08421	1.8
189.02084	1.8
201.05368	2.3
201.11243	29.1
209.08083	3.3
227.09143	2.9
236.14949	13.6
247.09731	2.1
275.09048	10.3
285.13263	5.4
293.10175	3.9
309.13303	13.7
327.14398	6.8
344.28629	1.7
345.15677	1.9
430.68817	1.9
431.60223	1.8
510.34869	2.6
528.35089	6.0
546.11456	3.0
546.19641	4.0
546.36292	10.7
547.19598	6.8
547.36041	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	546.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.0
54.00728	1.6
55.01871	11.5
55.05510	5.4
56.40038	1.3
56.42195	1.5
57.03441	2.4
62.78833	1.9
67.05502	8.3
68.69189	1.4
69.03433	11.7
69.07067	8.5
70.53673	3.1
71.04995	6.0
75.33498	1.5
79.05493	12.5
80.93539	1.6
81.03413	26.6
81.07052	24.6
82.03770	1.5
83.04972	3.0
85.02904	3.6
85.06555	5.6
91.05478	7.9
93.07041	34.6
95.04964	5.0
95.08581	13.8
97.02905	4.3
97.06524	11.6
99.04454	12.9
105.07024	26.4
107.04945	3.1
107.08595	49.1
109.02872	27.3
109.06522	13.6
109.10153	4.7
111.04417	2.2
111.08097	4.7
113.05992	4.3
117.07007	1.7
118.73032	1.5
119.08581	7.1
121.06514	13.3
121.10143	26.3
123.04437	2.9
123.08056	9.8
125.06047	3.0
127.03915	20.2
127.07549	2.2
131.08546	2.4
135.08046	4.0
135.11678	10.5
137.06068	1.8
137.09608	7.0
139.07559	2.3
141.09085	2.7
145.10126	27.2
146.10461	2.0
147.08075	1.7
147.11705	5.0
149.06026	1.6
149.09612	13.7
151.07530	7.5
157.08699	1.7
163.11177	67.0
164.11531	1.8
165.09207	2.9
167.07039	27.0
167.10677	25.1
169.08595	75.1
170.08893	2.7
173.09613	6.9
181.12218	18.5
185.11702	4.9
191.10674	33.7
203.07018	1.9
207.06531	2.5
209.11711	36.1
227.12764	100.0
228.13121	4.5
229.87698	1.6
231.06638	5.0
240.81473	1.6
255.12207	1.7
269.13870	5.1
277.10770	1.9
289.14423	3.7
311.15009	2.6
317.13879	2.7
335.14899	4.9
353.15945	32.9
371.17007	19.3
372.17102	2.4
546.25909	3.6
546.33215	14.6
547.21735	3.4
547.34045	5.0
547.80194	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77588	1.4
51.94256	1.1
53.03943	4.5
55.01870	8.8
55.05508	3.1
56.30815	1.2
57.03432	2.6
57.07074	1.7
66.59635	1.2
67.05508	5.8
69.03431	11.5
69.07066	11.5
69.68855	6.8
71.04995	6.5
79.05492	11.3
81.02971	1.8
81.03416	23.5
81.07059	20.5
83.04963	4.0
83.08663	1.4
85.02898	4.1
85.06549	5.2
91.05481	8.9
93.07047	36.8
94.07386	1.7
95.04959	5.1
95.08599	12.6
97.02899	4.6
97.06542	10.3
99.04472	9.8
104.74670	1.1
105.07024	23.9
107.04938	2.3
107.08591	44.0
108.08984	1.5
109.02875	21.4
109.06524	10.2
109.10194	1.3
111.04433	1.4
111.08052	6.8
113.06024	4.4
115.03919	1.2
117.06989	2.1
119.08607	9.6
121.06506	14.4
121.10145	26.4
123.04365	1.9
123.08040	7.3
125.06037	1.8
127.03907	19.7
127.07576	2.4
130.07755	2.0
131.08566	1.5
132.23340	1.3
133.06549	1.8
133.10139	1.6
135.08078	4.5
135.11693	10.3
137.05980	1.3
139.07568	1.7
139.11205	3.5
145.10117	21.7
147.11690	4.0
149.09612	11.8
151.07549	10.1
163.11183	58.1
165.12816	1.8
167.10684	25.6
169.08598	71.2
170.08954	1.7
173.09608	5.5
181.12234	15.2
185.11685	6.0
191.10651	32.3
192.10994	2.0
195.09764	1.1
203.07048	1.9
204.49352	1.2
207.06572	1.7
209.11716	39.2
227.12775	100.0
228.13164	2.9
231.06523	4.2
255.12296	2.9
269.13943	6.9
271.13345	2.5
277.10791	1.6
289.14362	3.4
307.15308	1.7
311.14877	4.3
317.13791	2.3
319.45367	1.5
325.19080	1.2
335.15067	5.9
353.15936	34.1
354.16275	1.5
371.17004	20.4
389.17926	2.2
481.78171	1.2
503.76007	1.6
546.26276	7.3
546.33215	2.1
547.34149	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	546.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.6
55.24187	0.7
67.05502	9.7
69.03418	1.4
71.32850	0.8
79.05491	7.0
81.03408	1.4
81.07047	5.7
85.02893	1.7
85.06528	0.7
91.05466	7.4
93.07037	22.6
95.05007	1.6
95.08599	23.0
97.02880	1.2
105.07014	7.2
107.08588	6.9
109.06536	0.9
109.10149	24.2
110.10424	0.7
117.07041	1.9
119.08572	8.4
121.06603	0.6
121.10128	10.6
123.04421	1.0
123.08068	1.0
129.06996	1.1
131.08571	8.1
133.10115	10.5
133.11110	0.7
135.08047	1.4
135.11708	2.2
137.05981	0.8
137.09595	8.1
143.08540	3.1
145.10109	10.7
147.08025	2.5
147.11708	3.6
149.09599	1.1
153.01823	2.6
155.08603	1.8
155.10657	4.5
157.10115	4.5
159.08072	1.4
159.11705	4.7
163.11163	0.9
167.07051	0.7
169.10141	1.9
171.11719	3.0
173.13254	2.1
175.11189	1.6
177.09087	0.9
181.10159	0.9
183.11653	3.0
185.08083	2.1
185.13261	3.5
187.14717	0.7
189.05261	0.9
193.10164	1.0
195.11690	1.7
197.13220	2.3
199.14839	0.8
201.16331	0.7
207.11722	0.8
211.09570	0.8
211.14705	1.0
213.16373	2.2
215.14340	0.8
223.14810	2.8
225.16353	2.2
227.17944	2.7
229.19492	2.6
237.16313	3.7
239.17950	7.7
241.19444	3.3
249.16418	3.2
255.17432	5.5
257.18961	4.1
259.20493	1.7
267.17429	9.3
273.18478	0.7
277.21609	1.4
283.17023	3.2
285.18457	18.1
286.18832	1.4
295.16925	2.4
301.17953	32.7
302.18384	1.7
303.19543	3.0
313.17957	19.6
314.18256	0.8
321.20593	1.3
331.19006	11.0
332.19308	1.0
349.20071	30.6
350.20505	2.6
367.21130	100.0
368.21521	7.4
399.19571	0.8
486.51804	0.7
546.20190	2.8
547.17896	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66503	3.0
53.03949	8.1
55.01879	23.1
55.05508	41.4
57.03433	36.1
57.07079	4.4
58.06596	24.4
59.07381	13.3
60.08155	8.5
65.03955	3.6
67.05505	59.2
67.05862	4.3
69.03423	10.7
69.07063	16.2
70.18723	8.7
71.04984	8.2
73.02924	8.7
79.05490	59.8
81.03416	100.0
81.07054	51.3
82.04208	8.9
83.04980	29.4
83.08608	38.9
85.02906	30.6
87.04482	9.2
91.05476	64.5
93.07041	45.9
95.04964	47.9
95.05536	4.5
95.08609	23.8
97.02890	8.2
97.06525	12.4
97.10172	17.1
98.07314	9.9
98.69746	2.8
105.07034	39.0
107.04948	18.6
107.08593	20.8
109.06542	10.2
109.10159	16.1
111.04406	3.9
111.08076	23.2
113.05988	3.3
115.05498	5.1
116.04694	18.7
117.07018	9.0
117.07824	3.8
119.08579	35.7
121.06471	5.0
121.10134	16.8
123.08081	13.5
125.09615	19.4
128.06230	4.4
129.05464	39.0
129.06955	18.8
131.08580	23.9
133.06474	5.0
133.10104	23.8
135.08025	5.7
135.11703	7.4
137.09526	3.6
142.07768	6.3
143.07013	8.3
144.10229	7.9
147.08011	5.5
147.11697	18.5
149.09653	8.7
157.08626	19.6
157.10152	21.4
159.11807	3.1
162.11272	5.4
163.11163	5.1
171.06528	3.5
171.10193	7.9
175.11197	26.1
185.10246	3.1
189.11243	11.9
193.12222	75.2
199.13292	6.6
209.11746	7.5
211.13271	96.6
212.13658	4.1
227.12819	13.9
234.13429	3.5
236.14917	97.0
237.15385	3.7
267.15936	20.7
285.16928	71.3
286.17282	3.5
290.16135	3.7
301.16461	86.6
301.19778	6.4
302.16537	4.4
368.94601	2.9
398.25235	5.1
405.30283	4.4
416.26566	19.7
440.26782	4.0
493.27878	10.1
494.28525	6.8
511.28848	34.3
512.35803	5.2
531.40094	3.5
546.35602	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	546.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60119	1.9
53.03937	4.2
55.01875	2.3
55.05509	24.0
56.91607	2.1
57.03433	7.0
57.07065	5.0
65.03929	3.2
67.05505	94.3
67.05865	5.2
67.61999	1.8
68.05800	2.6
69.07065	22.7
69.27008	15.5
71.01341	2.2
71.04977	5.0
73.02950	3.2
79.05040	4.4
79.05490	66.7
80.05801	2.4
81.03429	2.3
81.07056	100.0
82.07385	4.4
83.04970	3.0
83.08617	13.2
85.02895	8.5
85.06515	6.7
91.05475	39.8
93.06445	3.8
93.07040	75.4
94.07363	3.3
95.01324	8.8
95.04948	8.2
95.08605	83.0
96.08926	2.3
97.06525	7.0
97.10137	11.7
98.23346	3.8
99.00826	3.6
99.08103	6.4
105.07027	35.1
107.04918	3.7
107.08597	47.1
109.06496	4.1
109.10151	43.7
111.04476	2.7
111.08084	3.8
113.09660	4.6
117.03306	2.9
117.07029	17.6
119.08577	30.8
121.10144	47.7
122.10487	2.7
123.08051	6.5
123.11697	23.7
125.09631	4.4
129.07001	4.0
130.20535	2.5
131.08568	28.8
133.10117	24.3
135.08098	3.9
135.11681	38.1
136.12006	4.4
137.05988	3.8
137.09601	5.9
137.13280	6.3
139.07596	2.2
139.11185	3.1
141.01842	8.5
143.08542	4.1
145.02844	7.6
145.10117	21.2
147.08003	2.8
147.11693	14.9
149.09544	2.5
149.13258	26.0
151.03981	3.8
151.07526	4.1
151.11177	3.3
153.12723	2.8
157.10175	4.7
159.11664	15.3
161.09679	2.9
161.13217	13.7
163.14818	18.6
165.12775	4.2
171.11743	4.3
173.13249	18.6
175.14821	7.6
177.05505	15.6
177.16362	9.1
179.14333	2.7
185.13342	3.1
187.14835	13.3
191.14319	3.8
199.14877	2.8
201.16449	6.9
205.15958	3.1
215.17964	2.5
233.19061	2.5
233.22585	2.4
243.13850	2.2
243.21082	36.0
244.21410	2.4
249.18344	3.7
261.22128	99.0
262.22452	5.6
279.23108	6.8
335.25745	15.4
353.26883	25.0
405.29999	3.1
454.89551	2.3
546.38501	3.9
547.32886	3.5
557.77362	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	546.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.4
55.05511	2.3
56.05015	0.5
57.03430	4.6
58.06598	56.3
59.07380	31.2
60.08160	10.3
60.66299	0.4
67.05508	3.9
69.03432	0.9
69.07049	0.7
69.40581	0.4
71.04981	0.9
71.08649	0.5
71.31750	0.7
73.02901	1.1
75.03292	0.5
75.04466	2.6
79.05483	2.1
81.03421	1.2
81.07059	2.8
83.04979	1.1
83.08613	0.8
84.08131	2.1
85.02892	1.4
85.06516	0.5
86.09689	1.0
87.04453	3.5
91.05468	1.5
93.07047	2.2
95.04949	0.8
95.08609	1.7
97.06536	0.8
97.10162	0.9
102.05537	13.6
103.03928	0.7
105.05515	0.5
105.07029	1.7
107.08585	1.7
109.10143	1.6
113.06057	0.6
117.07077	1.0
117.07866	18.8
119.08598	1.4
121.06509	0.8
121.10139	1.0
123.08046	0.5
123.11748	0.5
125.09649	0.6
129.05466	1.1
130.08612	1.5
131.07016	1.6
131.08504	0.6
133.10146	0.7
135.08043	0.6
135.11667	0.7
137.06001	0.4
137.09645	0.5
139.11139	0.8
144.10184	13.4
145.10277	0.4
147.11673	0.6
151.11211	0.5
157.10023	0.6
159.06645	0.5
159.11638	0.6
160.09679	7.4
161.13260	0.6
162.11253	11.1
174.14827	1.2
177.12590	0.4
200.12866	2.3
201.12965	0.6
205.12070	0.7
214.48799	0.5
217.13068	4.4
218.13881	2.5
231.16422	0.5
234.13359	3.9
236.14906	100.0
237.15224	2.6
248.21434	0.6
256.98239	0.5
260.14874	0.6
272.14905	3.4
277.15125	1.8
286.16379	0.9
290.15994	9.3
293.21002	0.6
300.18152	0.8
304.17468	1.8
309.14099	1.8
318.19067	2.1
332.20526	1.2
346.22235	1.3
353.19467	1.5
360.23645	0.7
372.23810	4.0
390.24860	12.2
391.24899	0.5
398.25266	1.4
416.26379	2.9
423.27243	1.7
428.26385	0.7
430.28067	1.0
440.26233	1.8
458.27432	2.1
475.26874	0.7
483.35663	0.7
494.34705	2.3
510.34076	2.5
511.34717	1.0
512.35828	12.9
513.35870	1.6
528.35114	4.5
529.35321	0.8
546.29102	0.8
546.36499	11.8
547.36664	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16123	2.3
51.50489	2.2
53.03926	4.5
54.88712	2.4
55.01867	6.0
55.05510	41.9
57.07078	3.1
59.04976	3.4
65.03934	3.5
67.05162	5.4
67.05504	76.8
67.59005	2.4
69.07064	28.4
71.05035	2.7
71.32688	3.9
79.05489	51.2
79.60251	2.5
80.05818	2.6
80.98165	2.3
81.07056	79.7
82.07378	3.2
83.04980	5.5
83.08614	20.2
85.06525	4.4
91.05485	21.3
93.07043	38.5
95.04942	5.8
95.08608	61.9
97.06525	6.3
97.10163	34.7
99.08092	2.6
105.07034	16.2
107.08587	36.5
107.75572	2.5
109.10155	33.2
111.08056	7.2
117.06993	6.3
117.58442	2.3
119.08581	11.4
121.10146	26.7
123.04427	4.4
123.08060	8.3
123.11701	11.4
125.09636	23.2
131.08568	9.6
133.10126	11.7
135.08063	7.1
135.11705	22.1
137.05957	4.5
137.09596	3.1
137.13257	5.4
139.11220	4.3
145.10135	9.0
147.11667	9.9
149.09627	2.8
149.13263	7.8
151.07579	4.0
153.09106	43.0
159.11604	6.3
161.13223	7.9
163.14870	4.4
171.10153	5.1
173.13266	4.3
175.14751	3.0
185.13170	2.8
187.14828	3.6
189.11229	25.0
204.11224	2.5
207.10132	5.2
243.21063	7.6
247.16705	2.5
247.61453	3.5
261.22180	17.6
275.19867	2.7
279.23123	18.8
294.60175	2.7
323.22183	40.4
341.23264	63.6
355.21118	3.8
429.30283	2.6
431.31882	3.8
449.32245	4.0
475.30511	7.6
493.24615	5.8
493.31573	100.0
494.31931	9.0
511.25983	3.2
511.32758	32.1
528.37598	3.2
546.25287	4.8
546.37848	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81080	0.3
51.20227	0.3
53.03883	0.4
53.83666	0.3
55.01810	1.0
55.05437	2.2
55.05728	0.4
57.03363	6.5
57.03674	1.0
58.06524	26.8
59.07306	8.8
59.07637	1.2
60.08086	8.6
60.08420	1.0
67.05421	2.6
69.03363	0.8
69.06982	1.4
71.04931	0.8
71.08549	1.4
73.02840	1.2
75.04398	3.8
75.95960	0.3
76.80898	0.3
79.05408	2.3
81.03340	1.0
81.06970	2.0
83.04907	0.8
83.08548	1.0
84.08081	0.8
85.02892	3.1
86.09648	0.4
87.04466	5.5
91.05489	1.9
93.05462	0.8
93.07048	2.3
95.04894	0.7
95.08506	1.5
97.02854	0.4
97.06436	0.9
97.10065	0.6
99.08023	0.7
101.02320	0.4
101.06000	0.4
103.03893	0.5
103.05392	0.6
105.05403	1.2
105.06943	1.6
107.04894	0.9
107.08563	1.8
109.06441	0.6
109.10055	1.5
111.04387	0.4
113.05906	0.9
115.05303	0.4
117.06963	0.6
119.08468	1.2
121.06442	0.6
121.10054	1.0
123.08000	0.4
125.09579	0.5
127.03838	0.7
129.05383	0.3
131.07065	2.3
133.10065	0.6
135.07962	0.7
135.11652	0.5
137.05995	2.0
137.09592	0.8
139.11055	0.4
144.10193	7.8
145.10089	0.9
151.07585	0.4
153.05458	0.5
155.10667	0.4
159.11633	0.7
161.09566	0.5
162.11256	4.4
163.11154	0.6
165.09050	0.7
181.08545	0.6
184.07317	0.8
185.08041	1.1
187.07474	0.8
187.14746	1.5
191.10745	0.4
199.14775	0.4
200.12837	0.5
201.05225	0.7
202.05963	0.5
207.06522	0.7
217.15831	0.5
218.13893	0.8
236.14915	100.0
237.15279	2.5
240.41794	0.4
275.19855	0.4
293.21173	0.3
307.15411	0.5
318.03732	0.4
390.24783	2.4
415.10413	1.2
423.27533	0.6
430.28070	0.4
492.33533	1.7
510.34241	14.0
511.35022	1.0
528.35315	38.1
529.35370	3.5
546.20123	1.6
546.36780	30.9
547.38055	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20117	0.4
51.80698	0.4
56.96466	1.5
64.50835	0.4
70.66081	0.3
71.04909	0.7
78.99210	0.3
80.27733	0.3
81.03321	0.7
81.06976	0.7
85.02802	0.8
85.55273	0.4
91.05376	0.7
95.08475	0.7
105.06931	0.4
107.04861	0.4
107.08465	0.4
109.02808	0.5
109.06409	0.6
121.10039	0.8
123.04395	1.9
137.05832	0.9
137.13126	0.6
139.03769	1.6
153.01843	4.7
153.02957	0.5
153.05275	0.5
163.11041	0.5
167.06914	0.9
171.02805	0.6
181.04794	1.2
181.12117	1.1
199.13150	1.7
201.05399	0.5
210.99008	0.6
251.02133	0.4
271.05957	0.4
303.01797	2.1
315.06934	0.4
321.02536	0.7
325.23544	0.4
331.01367	0.9
340.99527	7.2
349.02484	0.4
359.00665	11.5
360.00833	0.7
377.01761	100.0
378.02060	5.1
379.02100	0.6
382.02338	0.8
395.02850	31.6
396.03220	1.7
400.03363	4.7
401.02261	0.4
415.03363	5.3
418.04718	0.5
419.02725	1.2
431.03085	0.6
433.04333	6.1
443.02942	0.8
445.04382	1.0
447.06006	0.5
456.06128	0.7
469.04333	0.4
487.05334	1.9
505.06848	0.7
537.81061	0.4
546.20398	1.4
547.21143	18.1
548.21503	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2148
Annotation	Phe Glu His Asp
Peak:m/z	Relative Intensity
69.22620	0.3
69.42316	1.8
71.19096	0.3
98.23339	0.7
103.03964	1.1
111.04257	0.5
130.47865	0.3
153.01886	0.8
159.04158	3.5
160.50871	0.3
182.34804	0.3
185.04205	0.6
347.09619	0.7
385.16144	2.1
532.18823	0.5
547.21448	100.0
548.21802	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	547.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.4
59.67191	0.2
60.05625	0.2
67.05509	0.8
69.07063	0.4
71.05004	0.2
79.05477	0.5
80.61692	0.2
81.07048	0.8
83.04989	0.2
83.08592	0.3
85.02880	0.2
91.05477	0.4
93.07052	0.7
95.04961	0.2
95.08591	0.5
97.06527	0.3
105.07027	0.5
107.08600	0.7
109.06546	0.3
109.10153	0.3
117.07027	0.2
119.08572	0.4
121.10183	0.4
123.08035	0.2
125.09642	0.3
129.07088	0.2
131.08578	0.3
135.11656	0.4
137.05969	0.7
145.10175	0.2
147.11708	0.2
149.13251	0.3
151.07585	0.2
159.04176	0.3
159.11693	0.3
173.02077	0.2
173.05730	0.2
174.02943	0.8
175.03751	0.5
186.06487	0.3
187.14868	0.2
199.07201	0.4
203.10722	0.3
213.09000	0.4
227.12758	0.3
243.09955	0.3
334.71564	0.2
351.12109	0.3
366.14352	1.7
367.14966	0.4
483.54916	0.2
547.22980	100.0
548.23364	9.5
548.31958	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2301
Annotation	Vittarin E
Peak:m/z	Relative Intensity
55.05500	0.3
67.05508	0.6
69.07074	0.3
70.33167	0.8
79.05505	0.7
81.07055	0.5
91.05451	0.4
93.07040	0.6
95.01389	0.2
95.08616	0.5
97.06521	0.2
104.52865	0.3
105.07023	0.4
107.04983	0.3
107.08603	0.2
109.10161	0.6
119.08578	0.5
121.10177	0.6
123.08145	0.3
135.08064	0.3
135.11745	0.3
143.08559	0.3
145.06567	0.3
145.10130	0.4
159.04239	0.3
174.02922	1.0
175.03621	0.6
186.06570	0.2
189.11122	0.3
195.94481	0.2
203.10638	0.4
213.08968	0.6
243.10005	0.5
252.89474	0.2
274.19897	0.2
275.20148	0.3
318.53336	0.2
351.12253	0.4
366.14236	1.6
367.15262	0.4
405.65872	0.3
461.89014	0.3
485.92761	0.3
547.22998	100.0
548.23364	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.5
67.05496	1.1
71.31969	0.8
79.05475	1.2
81.07044	1.5
83.08601	0.4
91.05458	0.7
93.07074	0.9
95.08592	0.7
97.10121	0.4
105.07016	0.5
107.08588	0.6
108.60744	0.4
109.10135	0.5
117.68951	0.4
119.08611	0.4
120.18258	0.4
121.10146	0.8
131.08655	0.5
133.10178	0.9
171.11823	0.4
174.02921	1.3
175.03693	1.3
199.07352	0.6
213.08955	0.5
243.10089	0.5
291.95090	0.4
366.14529	1.9
547.22980	100.0
548.23370	10.3
548.31891	0.5
560.10211	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.4
55.05500	13.0
57.03434	5.2
57.07067	5.9
59.04970	3.2
67.05512	25.7
69.07065	11.1
69.16801	18.3
71.05006	4.0
71.08608	2.2
78.72793	2.2
79.05491	13.7
81.03435	13.9
81.07049	27.7
83.01328	3.2
83.04993	4.0
83.08614	8.5
85.02911	4.5
85.06529	2.4
91.05480	12.8
93.07043	13.0
95.04963	7.7
95.08595	20.6
96.80572	2.3
97.10146	3.7
105.07005	8.9
107.08568	9.5
109.10152	8.3
111.08097	5.1
112.44431	1.9
117.07025	3.2
119.08575	6.2
121.06513	4.0
121.10172	11.2
123.08076	3.1
123.11700	4.4
127.03865	3.6
129.07030	2.9
129.65625	2.1
131.08571	4.6
132.58545	2.6
133.10089	3.9
135.08028	2.5
135.11696	4.6
137.09598	8.8
139.03836	2.9
139.11194	4.9
145.10132	3.5
147.11696	4.0
147.95525	2.1
149.09695	3.3
151.11188	6.7
153.05473	4.1
155.03378	23.3
159.08046	2.5
163.03891	6.8
163.11125	2.1
164.05067	2.6
166.73805	2.1
167.10591	2.5
169.05016	2.2
177.09161	3.1
177.12842	2.1
181.04962	4.0
183.10184	19.1
183.46152	2.5
189.10979	2.3
191.07048	10.4
192.24437	2.5
193.12314	11.2
195.10246	2.4
205.08575	23.9
207.06622	2.2
208.07353	3.9
209.04475	17.4
209.08118	5.3
211.09589	3.1
211.13272	9.1
221.08112	5.4
223.09665	12.2
233.81306	2.1
235.09570	3.1
237.11267	6.9
237.14882	5.4
249.14780	2.5
251.09149	3.3
251.16396	11.0
265.10751	5.5
275.12698	2.4
291.15921	2.8
302.75577	2.0
326.34061	2.3
391.17542	35.7
392.17880	2.7
405.19052	100.0
406.19412	8.3
455.34894	2.5
475.23242	7.3
529.38788	3.0
547.39935	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	548.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05514	5.5
69.74847	6.5
69.75256	11.0
70.06590	10.1
77.59160	3.2
79.05499	3.9
81.07054	7.2
81.15976	3.4
81.48907	3.0
88.74589	3.2
89.92760	3.2
91.05509	8.4
93.07055	8.2
95.08601	10.4
97.10165	3.8
97.88415	3.1
98.70528	3.5
105.07032	11.7
107.04971	4.0
107.08557	6.5
109.10143	18.4
117.07056	3.7
117.66778	3.0
119.08588	12.2
120.08099	4.3
121.10170	4.6
131.08569	7.1
133.10191	6.1
137.09612	14.0
143.08582	7.7
143.69492	4.1
145.10097	4.6
149.09625	3.4
151.03955	3.9
153.01819	6.3
155.08560	11.1
157.10098	6.8
159.11650	9.2
161.09691	5.6
163.07585	4.1
165.09058	4.2
169.10123	8.4
171.11711	8.3
178.04955	23.1
181.04958	28.6
183.11659	5.8
185.13249	8.1
187.14807	3.8
194.11154	4.1
195.11662	9.7
199.14954	4.4
206.04459	43.2
209.13274	9.9
211.14854	15.7
223.14792	7.6
241.19513	23.9
251.17941	31.6
259.20642	11.6
269.15894	5.5
269.18961	85.3
287.20041	58.7
297.18393	25.9
305.21130	16.8
315.19510	100.0
316.19736	4.2
325.08899	4.3
333.20587	59.3
380.82483	3.8
544.58356	3.4
548.19507	16.1
548.37494	11.2
549.19098	4.5
574.02997	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	548.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17979	3.2
54.50956	2.8
55.05500	24.3
57.03410	5.6
57.07063	12.3
67.05153	5.4
67.05502	86.7
69.07058	61.7
71.05000	5.5
71.08601	4.1
79.05484	27.7
81.06558	5.0
81.07048	100.0
83.08619	26.9
91.05450	21.9
93.07035	33.4
95.01334	6.8
95.08010	5.5
95.08601	78.6
97.06516	7.5
97.10154	13.9
98.22510	7.6
99.08126	4.5
105.07030	20.4
106.17170	3.5
107.08566	19.5
109.10150	51.4
111.08089	7.1
113.09665	4.7
119.08560	20.6
121.10120	23.2
122.22622	3.8
123.11710	23.9
133.10115	18.5
135.11682	16.1
137.13243	9.2
141.01826	8.4
147.11691	13.2
149.13254	10.9
151.14806	9.8
155.14273	4.6
159.11696	4.7
161.13219	14.8
163.14792	11.9
165.16394	6.4
173.13367	3.8
175.14830	12.8
177.16298	4.8
179.17940	6.3
181.15846	4.3
189.16385	4.2
203.17906	6.5
217.12605	4.3
217.19565	3.8
245.22665	63.9
263.23700	83.9
264.24030	5.2
337.27304	40.9
431.84177	3.7
489.29990	8.0
525.28320	4.5
543.29871	33.1
549.31995	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	548.358
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.3
53.03946	9.5
55.01870	4.4
55.05510	19.1
57.03432	4.6
57.07068	3.5
58.00638	1.3
65.03938	6.2
67.05503	61.1
68.05849	2.3
69.03431	24.9
69.07065	19.2
70.07393	1.4
71.04974	6.0
73.02915	2.3
79.05489	40.2
79.05950	2.1
80.05840	1.8
81.03415	32.8
81.07053	57.3
82.07402	3.2
83.04981	7.9
83.08621	10.2
85.02903	20.3
85.06518	2.4
91.05478	100.0
92.05830	3.5
93.07039	46.9
94.07384	2.5
95.04962	9.5
95.08603	47.1
96.08938	1.7
97.02892	15.5
97.06512	5.5
97.10169	5.3
98.23357	2.9
99.04453	4.2
99.08104	1.2
103.03924	1.8
103.05418	2.4
105.04559	1.8
105.07028	31.8
106.07368	2.1
107.04951	4.3
107.08596	27.1
108.04479	2.8
109.02857	7.7
109.06519	5.0
109.10159	18.9
110.10468	1.4
111.04446	5.6
111.08087	3.9
111.11736	1.0
113.05943	1.2
115.03959	1.9
115.05455	2.7
117.07000	18.6
117.22285	1.1
119.08571	25.7
120.08945	1.2
121.06497	4.6
121.10138	21.1
122.10497	1.4
123.04400	1.9
123.08067	2.8
123.11702	6.8
127.03919	9.2
128.06270	3.4
129.05507	2.6
129.07002	13.6
131.08566	21.8
132.08911	2.1
133.06506	2.9
133.10123	19.3
133.53236	1.2
134.10454	1.6
135.08041	3.9
135.11679	14.3
137.09593	3.3
141.07004	8.3
141.91478	1.3
142.07736	2.2
143.08563	11.2
145.04990	1.2
145.06482	4.8
145.10120	20.5
147.04420	1.5
147.08063	3.2
147.11671	11.7
149.09596	2.7
149.13275	7.2
151.07516	1.6
151.11163	2.2
155.08524	7.8
157.10115	9.1
159.08118	2.8
159.11673	12.0
161.09544	2.7
161.13255	8.4
163.11183	2.8
163.14871	3.5
165.07005	1.6
166.07823	1.5
167.08559	4.1
169.10129	6.6
171.08102	1.8
171.11658	6.9
173.09596	1.4
173.13231	9.4
175.11212	3.9
175.14825	3.2
177.12891	2.2
181.10187	2.9
182.10847	1.2
183.11710	5.6
185.09595	2.0
185.13219	4.6
187.11273	2.1
187.14784	4.9
189.12776	2.2
190.09970	1.2
191.14233	1.6
193.12244	3.0
195.11609	2.3
197.13281	4.4
199.14851	4.4
201.16502	1.4
205.10320	1.5
205.15918	1.7
206.10988	1.5
207.11780	1.8
209.13338	2.6
211.11272	1.5
211.13113	1.7
211.14917	2.1
212.13370	1.5
213.12747	1.8
213.16431	1.4
215.14217	1.5
217.15930	1.5
225.12839	1.5
225.16354	1.7
227.12677	1.7
241.15871	1.2
243.21155	2.5
249.14781	1.5
259.20551	3.1
261.22067	7.8
273.21793	2.1
275.23801	1.4
277.21637	3.0
279.15643	1.5
279.75696	1.1
285.22235	2.4
289.21478	2.7
291.23190	2.9
297.22238	1.2
299.23529	1.3
301.21707	3.2
303.23148	6.9
303.37100	1.3
315.23257	2.8
319.22598	1.2
327.23209	2.1
331.22540	1.5
341.24872	3.3
345.24118	1.9
347.18335	1.2
351.23126	4.9
369.24213	11.4
370.24588	1.3
387.25214	12.3
388.25336	1.4
405.26352	11.0
423.27054	1.8
441.27069	1.2
530.39026	3.9
548.40198	15.4
549.40460	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51957	0.4
55.49699	0.4
55.77516	0.4
67.05458	0.5
69.07007	0.7
69.65344	2.4
81.06989	0.5
84.65041	0.4
93.06982	0.5
95.08556	0.8
98.22687	0.7
119.08486	0.4
133.10046	0.5
206.81993	0.4
247.75322	0.4
327.06427	0.6
339.06485	0.6
340.07410	0.9
341.08099	1.0
353.04504	0.8
354.05029	0.9
355.05908	0.9
355.09848	0.6
356.06750	1.2
357.03873	0.6
366.05136	0.5
367.05804	1.3
368.06824	1.9
369.07626	1.6
370.08078	0.7
371.05365	1.6
372.06140	0.9
379.05890	1.2
380.06662	0.7
381.07547	0.8
383.05374	1.9
383.09576	1.0
384.06091	1.1
385.06885	2.3
386.07739	1.9
387.08768	0.6
393.07446	0.7
395.04849	0.7
395.09201	1.2
396.06110	1.4
397.06976	3.2
398.07840	1.1
399.08804	0.9
400.05591	1.4
400.09988	0.6
401.06177	2.6
405.07501	0.6
407.05042	0.7
409.02692	0.8
409.07208	1.1
410.07504	0.6
411.03922	0.6
411.09103	6.1
412.09283	0.7
413.05756	0.9
413.10181	1.5
414.07336	2.7
415.08081	7.4
416.08337	0.9
423.08661	1.3
425.06396	9.7
426.07098	1.7
427.07294	4.4
427.12552	1.3
428.08826	0.5
429.09799	19.5
429.15585	1.0
430.10583	2.0
437.10144	1.1
438.10913	1.2
439.07950	3.8
440.08743	3.4
441.05981	2.4
441.10458	1.2
442.06067	1.0
443.07596	16.3
443.12134	5.0
444.08081	2.4
445.09027	1.1
446.09988	0.5
451.07935	1.1
453.09689	0.6
454.10504	4.6
455.11649	2.2
456.11697	1.2
457.09061	30.4
458.09662	4.3
459.10477	3.7
465.09882	0.5
469.13379	0.6
472.11484	6.9
473.12192	1.6
483.10477	1.2
484.11722	0.6
487.13812	100.0
488.14166	8.7
513.15375	4.9
531.16431	11.9
532.16736	1.0
549.17450	16.5
549.25116	1.8
550.17908	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.9
55.05515	0.9
67.05510	1.4
68.32207	0.5
69.03419	1.9
71.04974	0.6
71.32829	0.6
74.88006	0.4
79.05482	1.8
81.03403	0.8
81.07051	0.8
83.04974	0.6
85.02901	3.0
91.05451	0.7
95.05007	0.8
97.02879	1.0
97.06506	0.6
99.04471	1.0
104.64468	0.4
105.07018	0.6
107.04949	2.6
109.02902	1.0
109.06515	0.9
109.10152	4.3
117.07045	0.8
119.08591	1.3
123.04456	0.7
123.08119	0.6
127.03917	0.9
129.07048	0.5
133.10135	1.7
133.38582	0.5
137.09596	5.0
139.03900	1.2
143.08543	1.5
145.04990	0.8
145.10168	0.7
147.08047	2.5
151.07591	1.2
153.01801	0.5
161.09610	9.9
165.09100	9.7
165.10365	0.6
165.77075	0.5
172.22452	0.4
179.10698	0.9
185.04190	3.2
189.05206	18.5
189.09152	1.3
190.05980	2.5
191.06725	0.8
205.04799	1.0
207.10129	7.2
207.13914	1.3
225.11322	1.5
226.25462	0.5
307.08273	0.5
333.74637	0.4
352.11417	1.7
353.12064	1.2
377.33960	0.5
387.13962	8.2
549.19470	100.0
550.19824	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	549.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15038	0.5
53.03927	0.8
55.05503	1.1
59.01972	0.4
67.05501	1.6
69.03429	2.0
69.07065	1.4
71.04993	0.7
71.32773	0.4
75.24031	0.5
79.05500	2.4
81.03401	1.4
81.07043	3.1
83.04956	0.4
83.08620	0.6
85.02907	1.2
85.06534	0.6
86.09704	1.1
91.05482	2.4
93.07044	2.5
95.04943	1.5
95.08602	3.1
97.02894	1.4
97.06545	1.1
104.10751	1.0
105.07030	3.4
107.04990	0.6
107.08609	2.4
109.02895	0.5
109.06524	0.6
109.10162	1.3
112.49751	0.4
115.05470	1.2
116.62660	0.4
117.07016	0.8
119.04964	0.5
119.08559	2.5
121.06511	1.2
121.10114	1.8
122.03630	0.6
123.04395	1.2
124.05184	0.4
125.00004	0.5
125.09703	0.5
128.74538	0.4
129.06987	0.6
131.04886	0.9
131.08582	0.9
133.10123	1.6
135.04424	0.5
135.11708	0.9
137.02351	0.6
137.05969	3.8
137.09608	0.9
143.08488	0.6
143.10681	0.7
145.06519	0.8
145.10124	1.8
146.10483	0.5
147.04408	1.0
147.11642	1.4
149.09639	1.0
149.13161	0.8
151.03902	5.5
151.04991	0.8
151.07559	0.9
152.04700	0.8
153.01837	2.7
157.10222	0.6
159.08075	0.9
159.11702	1.1
161.05965	1.8
161.09637	1.0
163.07558	1.0
163.11066	0.6
165.05434	1.1
165.09186	0.7
165.12859	0.6
167.06978	1.0
171.11636	0.5
173.13277	0.8
175.11063	0.7
177.05473	1.4
177.09200	0.7
178.05914	0.5
181.04971	2.7
181.08653	0.6
184.07431	1.4
191.07230	0.6
191.10712	0.5
193.08748	0.6
195.06534	7.2
195.08122	0.7
201.09126	0.6
203.18002	0.7
220.17854	0.6
221.08110	0.6
228.79115	0.5
233.08113	1.0
234.08749	0.5
235.07552	0.6
235.09724	0.8
237.02995	0.5
244.07770	0.7
245.11761	0.6
247.09528	2.8
248.10393	0.6
253.19655	0.5
259.09784	1.5
267.10150	0.5
271.09772	0.6
273.10980	0.9
277.10669	5.4
285.11270	1.5
287.12836	0.6
297.11304	0.6
301.10681	1.8
325.10651	0.6
327.08456	0.5
343.11755	4.5
379.13641	0.6
387.13959	0.8
387.18134	1.7
416.05240	0.5
503.36319	0.6
517.18854	1.4
549.23041	100.0
550.23224	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	549.246
Annotation	Cycloshizukaol A
Peak:m/z	Relative Intensity
55.05507	0.5
58.06596	0.4
67.05502	0.7
69.06886	0.2
69.07214	2.5
72.79156	0.2
81.07056	0.5
85.45807	0.3
91.05463	0.3
93.07030	0.5
95.08593	0.5
105.07034	0.4
106.31702	0.3
107.04940	0.4
107.08583	0.5
109.10191	0.4
117.07117	0.2
119.08594	0.6
121.06557	0.3
121.10160	0.7
121.75324	0.2
131.08615	0.3
133.10092	0.6
137.06027	0.3
151.07532	0.3
159.04167	2.2
159.11684	0.3
163.11264	0.3
173.09468	0.3
175.03671	15.2
209.38686	0.3
227.10246	0.2
229.73653	0.3
237.15381	0.3
246.54213	0.2
248.27017	0.3
368.15698	0.4
369.17032	0.4
388.01315	0.3
549.24579	100.0
550.24957	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	549.2458
Annotation	Cycloshizukaol A
Peak:m/z	Relative Intensity
55.01874	0.2
55.05484	0.3
57.39871	0.2
59.61673	0.2
67.05510	0.7
69.07086	0.3
69.11270	1.1
69.11691	1.0
69.71288	0.3
79.05487	0.6
81.07067	0.6
91.05494	0.6
93.07053	0.9
95.04958	0.4
95.08618	1.1
105.07063	0.7
107.08614	0.5
109.10167	0.6
117.07069	0.4
119.08590	0.8
121.10125	0.5
123.07980	0.3
129.07072	0.3
133.10173	0.4
137.05957	0.3
143.08548	0.4
151.03909	0.6
151.07538	0.4
159.04167	2.6
159.11729	0.4
175.03667	18.5
176.03972	0.3
194.76208	0.3
221.55821	0.3
368.15939	0.5
369.16843	0.4
412.18716	0.3
443.59167	0.3
531.23352	0.4
549.24554	100.0
550.24902	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	549.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.0
55.01876	3.2
55.05506	3.7
57.03427	7.2
57.81413	2.2
58.09993	2.3
61.02905	4.1
67.05496	3.6
69.03428	11.4
69.05226	9.5
69.05653	12.7
69.07089	3.0
70.06593	38.1
71.05022	2.5
71.06921	6.3
71.42989	2.1
79.05486	6.0
81.03415	3.0
81.07057	8.1
83.04980	3.9
85.02917	22.6
91.05486	10.6
93.07049	25.7
95.04991	2.8
95.08595	5.8
97.02888	5.4
99.04475	3.0
105.07023	9.7
107.04966	4.1
107.08593	31.6
109.02909	3.2
109.06495	5.2
109.10154	7.1
117.07019	2.9
119.08590	14.9
121.06535	8.4
121.10136	28.6
123.04426	5.8
123.08062	21.2
123.11715	3.1
127.03925	3.5
128.13939	2.1
131.08568	5.8
133.10126	7.9
135.08055	22.6
135.11697	20.5
137.05962	2.4
137.09598	21.8
144.33484	2.1
145.04909	3.5
145.10121	7.1
147.04422	5.2
147.08057	8.3
147.11690	7.9
149.05977	5.1
149.09605	6.2
151.07549	4.3
151.11188	6.6
153.01851	5.5
161.09586	3.3
161.13235	4.1
163.11172	19.7
165.05405	2.9
165.09094	39.3
166.09573	2.7
167.06961	2.8
167.10706	5.9
177.05463	20.5
177.12782	6.3
178.05817	11.9
181.12222	61.5
189.12750	9.7
195.10228	2.8
195.13750	3.8
199.06090	2.0
203.07051	2.3
205.04814	4.7
207.13803	36.8
219.30566	2.3
225.14851	100.0
226.15167	3.5
332.51434	2.2
341.96274	2.3
370.12595	2.9
549.14722	8.5
549.22455	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	549.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	1.9
53.03953	6.2
55.01881	2.7
55.05511	50.6
57.03446	10.4
57.07084	12.5
59.04973	1.7
65.03951	2.0
67.05505	62.9
69.03450	4.0
69.07069	51.5
71.05006	8.5
71.08645	5.7
76.22146	1.4
79.05492	35.9
79.05941	2.2
81.03416	51.8
81.07056	71.1
82.07399	1.8
83.04972	11.1
83.08620	48.6
85.02907	28.1
85.06565	3.7
85.10192	4.2
91.05482	38.2
93.07047	34.8
93.07606	2.2
93.61426	1.4
94.07420	2.2
94.83115	1.4
95.04973	24.4
95.08609	51.6
96.08984	2.0
97.02913	3.3
97.06546	7.3
97.10178	18.8
98.06930	1.3
99.08102	3.2
104.27560	1.6
105.07034	26.9
107.04992	4.0
107.08594	21.8
109.06538	5.4
109.10156	23.2
111.04465	2.1
111.08105	11.5
111.11746	5.9
113.06039	1.7
113.09657	1.8
115.05397	1.9
117.07042	2.7
119.08586	21.5
121.06549	2.2
121.10149	28.8
122.10519	1.7
123.11705	7.4
129.06999	11.0
131.08580	12.8
133.06520	3.0
133.10114	9.3
135.11693	11.6
137.09653	2.5
139.11246	1.8
142.07791	2.3
145.10199	2.9
147.08095	3.2
147.11681	15.5
149.09677	5.5
149.13309	6.8
151.14902	2.2
157.10153	11.3
163.14851	3.5
165.12833	4.9
175.11208	13.6
193.12242	53.2
193.32378	1.7
211.13289	58.4
212.13577	1.7
247.24275	3.4
249.15146	1.8
265.25238	8.0
267.15869	7.2
339.29147	4.3
340.29337	1.7
419.22375	3.2
421.19406	1.5
457.36240	2.0
531.40637	5.6
549.41602	100.0
550.42017	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	550.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.2
55.05504	1.7
57.03453	0.6
57.07058	1.1
61.02935	0.5
64.12495	0.5
65.03935	0.9
67.05493	2.3
69.03436	2.4
69.07059	1.9
71.04984	0.6
71.32697	0.5
79.05492	4.4
81.03421	0.9
81.07050	2.5
83.04971	0.7
83.08602	0.9
85.02900	8.1
85.06531	0.5
91.05472	11.0
93.07044	4.1
95.05019	0.6
95.08585	1.5
97.02875	2.1
103.05476	1.0
105.07029	10.8
107.07913	0.8
107.08588	10.4
109.06563	0.9
115.05462	1.2
116.06228	1.5
117.07019	5.0
119.08575	12.0
121.06459	1.0
121.10135	11.8
123.08102	0.7
125.05968	1.5
127.03894	1.9
128.06200	1.3
129.06990	4.1
130.07780	2.1
131.08554	18.7
132.08839	0.5
133.10139	4.6
135.08060	4.8
135.11664	0.9
139.03807	1.1
143.08556	10.6
144.09338	4.0
145.04988	2.3
145.10121	16.3
147.11691	6.9
148.17859	0.5
149.09639	1.2
149.13243	8.2
153.01788	1.2
153.05443	2.8
158.10892	10.4
170.05785	0.5
172.10909	0.5
173.13248	21.6
174.13507	0.7
175.14842	2.6
185.08095	5.0
191.14294	100.0
192.14655	3.6
205.04828	1.6
209.11844	1.0
209.15379	1.1
225.04172	0.7
239.09448	0.6
277.98782	0.5
335.18597	0.5
343.16238	0.6
398.69492	0.5
550.15155	4.3
551.21118	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	550.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32451	1.0
53.03943	1.6
55.05505	3.6
57.03438	4.6
57.07055	0.9
61.02917	1.2
66.30962	0.8
67.05516	5.7
69.03431	13.5
69.07063	7.4
70.87556	2.2
71.04985	11.4
73.02917	6.1
79.05495	8.2
80.35136	0.9
81.03404	1.7
81.07056	54.2
83.08642	1.6
85.02902	13.9
86.09712	5.6
87.04473	3.7
91.05460	6.5
93.07043	21.1
95.04958	0.9
95.08609	11.3
97.02895	13.6
97.06543	1.9
97.10184	1.5
99.08102	1.7
103.05470	1.8
104.10737	2.4
105.06351	1.9
105.07029	32.7
106.07339	0.9
107.08595	24.3
109.02891	1.0
109.10152	21.7
111.08063	1.0
113.09638	1.5
113.52728	0.8
115.03941	11.0
117.07028	1.6
119.08577	69.8
120.08894	2.0
121.10117	5.4
123.11700	7.8
125.00024	3.6
127.03915	3.4
127.10250	1.3
127.11188	25.3
131.08635	1.3
133.04964	6.6
133.06435	1.0
133.10127	14.5
135.11693	40.4
136.12042	2.0
137.05946	1.7
145.04953	2.8
145.10181	1.7
147.11681	15.6
149.13239	5.0
159.11667	1.2
161.13268	5.3
163.14793	1.3
167.76173	0.9
175.14835	2.0
176.18686	0.9
177.16331	1.5
181.05005	1.4
184.07346	13.1
193.08591	1.7
203.17946	45.7
204.18179	2.0
207.06508	1.4
211.25632	0.9
221.19000	100.0
222.19321	4.6
233.08035	1.2
239.20056	3.1
241.07181	1.2
259.08044	1.6
263.09134	1.2
348.56265	0.9
350.61484	1.0
397.92804	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2094
Annotation	SC-1
Peak:m/z	Relative Intensity
52.33428	1.3
55.01870	1.2
79.05490	2.1
79.67003	1.5
81.07007	1.4
81.31639	1.3
91.05473	2.4
95.08619	1.6
98.23392	2.6
122.03661	1.4
123.04379	2.5
133.10274	1.3
137.05978	5.3
151.03886	3.3
151.07582	1.7
156.01595	1.5
165.05589	1.7
167.05688	1.5
167.07043	5.0
177.05440	2.4
177.73952	1.5
181.04947	3.9
187.07423	1.6
200.01492	1.5
295.09976	1.6
319.09964	1.6
337.10718	1.5
367.13516	3.3
551.20862	100.0
552.21173	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	551.2105
Annotation	SC-1
Peak:m/z	Relative Intensity
53.14326	0.3
55.05522	0.5
67.05507	0.8
69.07069	0.5
71.05001	0.4
71.32097	0.4
71.32498	0.6
79.05530	0.8
79.86695	0.4
81.03448	0.7
81.07079	1.1
82.42323	0.4
83.04976	0.4
85.02914	1.4
89.03235	0.4
91.05503	0.6
93.07046	1.1
95.08663	0.7
95.90202	0.4
97.02907	0.5
97.06571	0.4
105.07041	0.7
107.04995	0.6
107.08623	1.0
109.02876	0.7
109.06474	0.4
109.10156	0.7
111.00585	1.0
111.08119	0.5
117.07045	0.4
121.10196	0.4
123.08060	0.5
127.03941	0.8
129.07085	0.7
132.44302	0.4
135.04454	0.5
137.05980	3.5
139.03891	0.6
145.04962	0.4
145.10138	0.5
149.09648	0.4
151.03842	0.6
151.07535	0.8
153.01878	1.1
159.08173	0.6
162.02882	1.9
167.07083	1.6
169.04770	1.2
170.54045	0.3
175.07497	0.4
177.09250	0.4
181.05032	1.5
184.31499	0.4
189.06749	0.4
189.09174	0.4
193.08394	0.4
206.04448	0.6
219.25023	0.4
227.12770	0.4
235.09665	0.6
267.12082	2.1
309.13654	0.5
349.16162	0.5
349.55054	0.4
389.15991	1.2
395.16623	1.0
411.16147	1.5
489.20868	4.8
491.18924	1.2
491.29202	0.6
533.19873	0.5
551.20990	100.0
552.21295	9.7
574.17761	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.21
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.5
67.05506	0.8
67.34245	0.4
69.03434	0.7
69.07040	0.5
71.04982	0.6
79.05488	0.5
81.03398	1.0
81.07067	1.2
81.39732	0.4
85.02908	1.0
91.05490	1.1
93.07048	1.0
95.08602	0.8
105.07022	0.8
107.04948	0.5
107.08567	0.9
109.10169	0.7
111.00570	0.5
119.08572	0.6
121.02928	0.4
121.06545	0.7
121.10088	0.6
127.03967	0.8
129.07010	0.5
137.05988	6.5
139.03935	1.1
141.05356	0.4
147.04448	0.5
151.03903	1.3
151.07550	0.8
153.01801	1.0
153.56059	0.5
162.02863	1.8
165.09128	0.7
166.40994	0.4
167.07123	1.2
169.03406	0.4
169.04747	1.5
177.05643	0.5
178.05040	0.8
179.05385	0.6
181.04958	2.1
191.10869	0.5
193.08536	0.7
206.04445	1.0
211.05942	0.4
235.09721	0.7
237.99434	0.4
261.40631	0.4
267.12054	1.8
341.13718	0.5
371.14786	0.7
389.16043	1.0
395.16745	1.0
411.16309	1.9
489.20892	4.6
491.18845	1.5
491.79459	0.4
551.20978	100.0
552.21393	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	551.2122
Annotation	Tracheloside
Peak:m/z	Relative Intensity
53.03936	0.9
55.01859	1.7
55.05499	1.4
57.03436	1.1
59.85537	0.5
60.79812	0.6
61.02925	1.4
65.03930	5.3
67.05505	4.4
68.99795	0.6
69.03431	5.2
69.07072	1.5
69.80929	1.6
69.81323	1.1
71.04968	1.4
79.05472	2.4
81.03410	2.6
81.07047	2.8
82.04187	2.1
83.04966	1.6
85.02901	11.6
86.09699	1.1
91.05476	5.7
93.03394	2.1
93.07041	2.8
94.04163	1.2
95.04967	6.9
95.08605	1.3
97.02907	3.3
97.06512	2.3
97.10204	0.5
99.04424	1.0
103.05450	1.2
105.07024	3.5
107.04927	2.9
107.08580	2.8
108.02090	1.9
109.02861	1.4
109.06484	2.1
109.10162	1.4
110.03638	2.7
111.04433	2.8
111.08067	0.6
115.05469	1.4
116.06217	0.8
117.07012	1.4
119.04931	2.4
119.08559	2.3
121.10141	1.8
122.03634	2.2
123.04433	3.1
123.11709	1.3
125.05988	2.5
127.03923	1.9
128.06134	1.0
129.06989	3.6
131.08554	4.8
132.05760	0.7
133.10106	1.1
135.04359	0.7
135.08069	1.0
135.11703	1.2
136.05231	0.6
137.05969	32.9
137.09485	0.6
138.03085	1.1
138.06323	1.0
141.06972	1.2
142.02586	3.4
144.05664	2.1
145.06468	3.0
145.10057	0.8
147.04410	1.1
147.08041	2.6
149.09631	0.7
151.03900	19.7
151.05011	2.0
151.07513	6.5
153.01846	3.9
153.05396	3.9
155.07031	1.8
157.06439	3.5
159.08051	5.1
160.05217	1.9
161.05968	1.9
161.09589	1.2
163.07498	1.1
165.09145	1.2
167.07033	8.0
171.06511	2.1
173.05930	0.8
174.06744	1.4
175.07545	6.7
177.05447	1.9
177.09143	1.3
181.04945	100.0
182.05276	2.2
183.06490	3.0
184.07280	3.6
185.05873	1.3
187.07556	4.4
189.09062	4.5
190.06221	1.1
191.07036	1.4
191.10680	1.0
193.08511	1.1
202.06252	1.3
203.06978	5.0
204.07616	0.7
205.04985	0.7
205.08476	3.1
207.06558	0.7
215.06979	1.3
217.08557	4.9
219.10199	2.0
220.07283	12.2
221.07788	1.3
231.08060	0.9
233.08052	1.6
234.08826	0.8
235.07329	1.5
235.09634	23.5
237.09137	0.7
245.08069	2.0
247.07254	1.2
247.09628	11.2
249.09045	1.7
255.06552	0.7
257.08044	1.2
259.09689	0.8
263.09219	2.4
265.08179	1.2
265.10724	12.0
266.09332	1.5
275.09055	0.7
277.08560	2.0
279.06708	0.6
279.09949	0.7
281.11542	1.6
283.09607	0.8
287.09210	0.7
291.10040	0.8
295.09271	0.7
299.09027	1.3
301.07025	3.2
301.10242	1.0
309.11221	3.2
311.09244	0.7
315.08643	1.5
316.09393	2.8
317.10217	0.7
321.11172	1.3
325.10410	0.9
326.11365	1.0
329.10220	0.8
341.10162	0.9
341.13806	15.2
342.14310	1.1
353.13803	0.8
359.14902	2.1
365.12384	1.4
371.14847	16.7
383.13367	5.1
383.17743	1.0
389.15912	46.6
390.16110	3.0
551.24646	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	551.2117
Annotation	Tracheloside
Peak:m/z	Relative Intensity
53.03931	2.2
54.59180	0.9
55.01845	2.8
55.05505	1.6
57.03408	1.5
58.57261	0.7
61.02911	1.4
65.03944	4.7
67.05504	3.8
69.03425	5.3
71.04971	0.8
71.33006	1.2
72.07719	0.7
73.02900	0.9
74.35281	0.8
79.05477	1.6
81.03384	2.6
81.07042	3.8
82.04189	2.0
83.04951	1.6
85.02901	11.9
91.05476	6.9
93.03394	2.1
93.07040	4.6
94.04166	1.3
95.04955	6.9
95.08578	2.2
97.02866	2.6
97.06509	3.2
99.04389	1.3
105.04591	0.7
105.06995	2.9
107.04924	2.8
107.08559	2.3
108.02071	1.2
109.02851	1.6
109.06502	3.0
109.10163	2.0
110.03669	1.8
111.04395	1.8
115.05407	1.7
117.06979	2.2
119.04942	2.1
119.08573	1.9
121.06516	1.1
121.10130	2.1
122.03611	1.8
123.04415	2.2
123.08052	0.8
125.05965	2.4
125.39889	0.7
127.03922	1.4
128.06174	1.3
129.07016	3.7
131.04886	1.3
131.08546	3.4
133.06429	1.1
133.10091	1.4
135.04416	0.9
135.11644	1.2
137.02274	0.9
137.05966	31.7
137.09618	1.0
138.03107	1.7
138.06329	0.9
140.04703	1.0
141.06949	1.5
142.02594	2.6
144.05792	1.0
145.06467	3.4
145.10124	1.2
147.07999	3.6
147.11668	1.2
149.09578	1.7
151.03886	20.0
151.04955	1.7
151.07518	8.8
153.01822	6.7
153.05455	2.3
155.07045	1.5
157.06453	2.2
159.08052	6.3
159.11697	1.1
160.05173	1.8
161.05957	2.0
161.09653	0.8
163.07492	1.5
163.11172	1.3
165.09094	0.8
167.07047	7.1
171.06523	2.8
174.06787	1.8
175.07506	6.9
177.05429	2.9
177.09085	1.2
181.04942	100.0
181.08412	2.4
182.05304	3.2
183.06487	2.8
185.06036	1.0
187.07533	5.9
189.09131	3.9
191.06985	0.8
191.10628	1.4
201.09073	1.1
202.06238	1.2
203.06924	4.6
205.08603	4.4
207.06570	0.9
215.06958	0.9
217.08525	4.9
219.10141	2.7
219.17464	1.8
220.07280	11.4
221.07893	1.0
225.07661	1.0
235.07304	1.6
235.09607	20.8
239.00676	0.8
247.09659	10.4
249.09077	2.8
264.11383	0.8
265.10703	11.3
266.09277	1.1
277.08572	2.3
278.09363	0.8
279.10254	1.0
281.11746	2.7
294.08856	1.1
301.07034	3.0
309.11057	4.9
312.30368	0.9
313.87253	0.8
315.08646	1.6
316.09470	2.2
321.11081	1.2
326.11411	2.2
329.10339	1.4
335.09415	2.9
341.10098	1.5
341.13818	16.1
342.14011	1.7
353.13956	1.6
356.12332	1.1
359.14981	2.1
371.14883	15.0
372.14819	1.3
389.15912	46.2
390.16229	2.8
505.72156	0.9
551.24573	25.7
552.25018	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02419	1.4
71.32460	2.8
118.06533	25.1
130.06541	2.0
132.08087	5.9
132.29871	1.6
143.07329	1.8
144.08057	13.0
146.06003	66.9
147.06360	2.4
159.09161	3.5
162.00340	1.6
170.06010	4.6
188.07053	100.0
189.07494	2.0
202.10745	1.7
205.09703	36.6
248.91647	1.4
551.16046	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	12.6
59.05009	6.2
65.03942	7.5
67.05505	32.0
69.03426	12.7
69.07073	8.9
69.32735	12.9
69.33161	11.1
71.04995	23.0
74.85792	2.9
79.05479	17.6
81.03417	8.7
81.07047	27.6
83.04956	7.5
83.08637	8.9
85.02920	13.9
87.08114	4.8
89.06070	3.7
91.05468	23.6
93.07046	38.9
95.04969	43.0
95.08606	21.4
96.29757	3.1
97.02895	7.7
97.06538	3.6
103.05461	8.1
105.07028	38.5
107.04967	12.7
107.08578	47.2
108.02164	3.0
109.02840	3.6
109.06547	10.4
109.10156	100.0
110.10573	2.8
111.08083	5.1
115.05432	4.3
117.06973	3.0
119.08569	59.6
121.06516	8.2
121.10136	41.3
123.04441	7.2
123.08073	4.8
123.11723	7.2
125.05928	3.6
125.09642	25.5
127.07594	3.4
127.11198	3.8
129.07004	8.0
131.08551	25.8
133.06462	5.0
133.10117	24.0
135.08067	4.7
135.11703	19.9
137.05980	36.3
137.09654	6.5
139.11195	3.4
143.58516	3.0
145.06517	4.2
145.10092	28.5
147.04436	3.2
147.08073	5.2
147.11688	58.8
148.12097	3.9
149.06001	7.7
149.09618	9.8
149.13264	4.8
151.03911	11.9
151.07600	6.6
151.11174	5.3
153.01736	6.4
153.05431	3.7
153.12746	18.4
157.06488	5.8
157.10135	8.8
159.08047	6.0
159.11703	10.8
161.09625	8.0
161.13235	4.0
163.07527	6.7
163.11191	6.8
165.09119	4.2
165.12724	9.5
167.07018	34.0
169.08646	3.6
173.13303	5.9
175.07558	6.8
175.11250	8.4
175.14821	7.8
177.05486	8.5
181.04945	61.5
181.08617	3.6
183.06693	4.0
187.07545	5.7
189.09132	8.8
189.16374	41.5
191.17992	7.7
193.08638	4.6
193.15871	16.2
195.10310	3.4
199.14854	6.8
207.17467	13.1
211.09709	4.2
217.08623	6.3
217.15871	29.6
220.07344	5.3
221.11577	3.9
223.06006	5.5
233.08064	7.2
235.09657	13.3
235.16913	53.7
236.17238	4.7
239.09190	3.2
243.24307	3.1
245.08301	4.3
247.09695	13.9
253.18054	11.7
263.09241	7.8
265.10721	8.0
280.62598	3.1
299.09152	4.2
307.09875	4.7
321.11545	3.0
332.81229	3.0
341.13989	7.1
371.14923	50.7
383.13394	9.4
389.15839	17.9
400.04288	2.9
551.18829	5.3
551.24347	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	551.2488
Annotation	Pachyclavulide H
Peak:m/z	Relative Intensity
53.03930	3.6
55.01873	4.7
55.05508	7.2
57.03420	2.4
58.78344	2.7
65.03928	7.9
67.05504	33.5
69.03426	12.7
69.07052	8.8
71.04987	30.5
79.05518	15.2
79.22305	2.5
81.03400	9.8
81.07056	23.9
83.04982	5.8
83.08620	9.2
85.02912	13.3
89.06071	3.8
91.05469	19.0
93.07048	30.4
95.04971	38.0
95.08617	18.9
97.02880	4.6
99.08121	6.2
103.05473	6.0
105.07034	32.6
107.04964	8.7
107.08586	49.0
109.02899	3.7
109.06514	7.0
109.10155	100.0
111.08095	7.1
115.05408	3.0
119.08582	48.0
121.06525	5.4
121.10143	39.3
123.04414	5.5
123.08049	4.8
123.11735	5.9
125.05982	3.1
125.09616	23.2
127.03935	3.3
127.11158	3.7
129.07021	8.2
131.04858	4.4
131.08569	12.4
131.98048	2.7
133.06450	5.7
133.10109	16.6
135.08080	8.3
135.11687	18.0
137.02373	3.7
137.05972	25.6
137.09616	5.3
139.11258	2.9
141.07115	2.8
145.06374	3.9
145.10135	29.1
147.08054	8.2
147.11688	56.5
149.05920	3.8
149.09637	7.2
149.13274	8.0
151.03912	8.2
151.07423	5.4
151.35072	2.6
153.01849	6.4
153.12766	15.5
156.09451	3.3
157.06465	3.9
157.10242	5.1
159.08092	4.7
159.11688	6.7
159.14323	2.5
161.09639	4.9
163.07503	7.4
165.12781	5.6
167.07043	27.7
175.07513	3.5
175.11183	8.0
175.14801	5.7
177.05496	9.6
181.04955	58.7
181.08522	3.5
183.06633	3.8
187.07600	3.8
189.09084	10.9
189.16371	36.2
190.06284	3.1
191.10764	3.7
191.17926	7.7
193.08647	3.2
193.15842	15.4
199.14964	3.4
203.07114	3.7
205.08594	4.6
207.17447	6.7
211.09564	3.4
217.08676	7.4
217.15845	27.2
223.05930	5.5
233.08066	4.8
235.09608	7.5
235.16956	45.7
247.09682	12.4
248.10164	3.1
253.17967	9.8
263.09198	3.2
265.10608	8.3
278.09198	2.9
287.08878	3.7
329.10126	3.6
341.13757	5.5
371.14890	42.3
372.15167	5.0
383.13287	10.1
389.15997	12.8
454.97736	2.8
511.58398	3.1
551.22827	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	551.2826
Annotation	Gln Phe Glu Lys
Peak:m/z	Relative Intensity
51.53145	0.7
54.76862	0.6
55.05515	0.7
67.05492	1.9
69.07044	1.1
69.57616	3.4
79.05499	1.1
81.07053	2.0
83.04999	0.7
83.08602	0.7
84.98148	0.7
86.09725	0.7
88.35278	0.5
91.05476	1.6
93.07040	1.7
95.08605	2.1
103.05460	1.2
104.10745	0.8
105.07028	1.5
107.04941	0.7
107.08582	2.0
109.06519	0.7
109.10178	1.6
115.05480	0.9
119.08577	2.0
121.06492	0.6
121.10108	1.1
123.08037	1.5
131.08572	1.4
133.06569	0.6
133.10147	1.1
135.08032	0.8
135.11635	0.6
137.05984	1.8
145.10075	1.2
147.11652	0.9
151.03917	5.4
151.04984	1.0
151.07523	1.7
157.10172	0.8
159.08063	1.0
161.09644	1.0
167.07037	0.8
177.05453	0.8
179.10719	0.7
181.04974	1.0
184.07373	0.7
185.06090	0.7
203.10661	0.9
205.12175	0.9
249.11145	1.0
259.07925	1.0
389.22861	2.1
551.28119	100.0
552.28381	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	551.4246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52297	9.3
55.05500	36.1
57.07069	16.2
67.05492	44.8
68.66819	10.3
69.07059	37.8
70.02156	10.1
71.33673	17.5
79.05472	45.5
81.07058	85.8
83.08611	20.8
91.05473	45.4
93.07024	80.1
95.08604	83.5
95.69764	12.2
97.10152	19.0
105.04450	11.2
105.07040	50.9
107.08592	80.9
109.10130	49.8
110.65659	10.1
117.07018	15.4
119.08575	100.0
121.10147	71.9
123.11737	13.6
129.07028	12.6
131.08598	29.1
133.10153	55.9
135.11691	27.9
143.08562	19.6
145.10118	64.6
149.13322	16.7
157.10123	47.5
159.11708	21.7
169.10143	13.9
171.11707	37.4
173.13225	17.3
175.14844	40.0
183.11656	20.9
185.13242	11.5
197.13184	22.6
201.16438	12.8
211.14760	11.3
230.52516	9.9
279.23105	12.5
291.66614	11.1
551.42334	36.3
567.92517	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	551.4243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	17.0
57.07079	10.0
67.05500	26.6
69.07069	25.6
71.31718	6.5
71.85667	4.6
79.05492	30.7
81.07056	41.6
83.08614	12.8
85.06490	4.4
86.51070	5.1
91.05484	37.6
93.07040	60.8
95.08592	42.9
105.07023	65.1
107.08598	63.2
109.10156	46.5
117.07013	16.8
119.08576	100.0
121.10139	52.2
123.11703	19.8
129.07039	10.6
130.07800	7.5
131.08551	31.3
133.10130	57.8
135.11687	48.9
137.09625	4.8
142.07756	16.9
143.08542	19.9
144.09337	12.5
145.10123	67.8
147.11682	18.7
149.09666	4.5
149.13242	4.9
155.08583	8.5
156.09349	10.9
157.10123	46.9
159.11731	37.4
161.13380	11.9
169.10121	17.1
170.10938	6.2
171.11667	13.4
173.13254	26.8
175.14828	56.7
179.08545	6.3
181.10069	6.9
182.10939	5.4
183.11696	19.2
185.13235	15.2
187.14836	18.1
193.10185	7.1
194.10947	7.2
195.11760	10.5
197.13272	19.7
199.14862	8.9
201.16312	12.1
205.15829	5.7
207.11710	5.6
209.13243	14.5
210.13913	6.5
211.14781	13.9
213.16362	8.9
219.17407	6.5
221.13249	6.2
223.14856	11.3
225.16388	7.8
237.16438	5.0
239.17905	6.7
241.19478	5.3
263.17920	4.9
265.19559	7.8
267.20969	7.3
275.12753	23.5
285.22241	7.7
303.20810	6.2
309.25360	4.9
319.23782	6.0
345.25809	5.6
476.50925	5.4
533.33099	5.5
533.41412	10.3
551.42261	40.8
566.40186	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	552.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.6
55.01868	2.1
57.03441	2.7
59.04999	0.6
61.02929	4.2
68.48063	0.6
68.57153	0.5
69.03425	8.4
71.04994	1.7
71.31033	0.7
73.02923	1.1
76.10494	0.5
79.05489	1.4
81.03421	3.5
81.07053	0.8
83.04957	0.5
85.02903	29.0
91.03960	1.0
91.05474	1.9
94.04176	0.7
95.04971	0.6
97.02895	9.9
97.06500	0.6
99.04445	1.9
101.02380	0.7
103.05463	1.5
105.03388	1.8
105.07024	2.7
107.04955	9.4
109.02872	2.7
109.06499	1.8
115.05476	1.1
116.29197	0.5
117.07024	0.9
119.04955	2.6
121.06506	1.2
122.03632	1.3
123.04390	0.8
123.08099	0.9
125.05959	0.8
127.03896	7.1
129.05450	0.7
133.06491	2.2
135.08047	3.9
137.05974	81.8
138.06305	1.3
145.04941	6.9
147.04408	7.5
147.08055	0.6
148.04779	0.5
151.07550	3.4
153.05476	3.8
154.06213	0.9
155.07068	0.5
161.05928	2.4
163.06148	1.1
163.07512	6.2
167.07018	5.1
175.07573	0.9
178.06247	1.7
179.07039	8.5
181.08644	0.5
183.06598	0.9
183.23090	0.5
193.08620	1.7
195.10161	32.8
196.10468	0.9
197.08105	0.7
207.10161	0.7
211.09645	100.0
212.10002	2.8
227.07034	0.5
246.05196	0.5
265.17831	0.5
328.50372	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76392	2.4
55.01855	3.3
55.05502	6.6
65.03931	3.2
67.05497	11.3
69.03421	5.2
69.07060	11.9
69.31926	15.8
71.04984	9.8
79.05497	10.0
79.63738	2.4
81.07052	21.3
83.04975	3.8
85.06543	7.9
91.05444	15.8
93.07040	32.0
95.04974	15.3
95.08607	26.0
97.06519	8.5
99.04425	3.8
103.05439	2.6
105.07029	40.9
107.08588	44.0
109.06502	8.1
109.10160	27.3
111.04439	3.9
111.08072	2.5
117.07015	8.4
119.08573	71.6
119.59280	2.2
121.06494	9.9
121.10136	80.3
122.10404	3.4
123.08051	14.0
123.11692	5.3
125.09646	3.2
129.06969	4.9
131.04892	3.6
131.08557	26.9
133.06491	3.7
133.10121	95.5
135.04402	3.3
135.08069	13.8
135.11674	28.8
137.05956	4.3
137.09586	4.9
139.07483	4.6
143.08566	10.0
144.09390	4.0
145.06532	3.0
145.10117	28.4
147.08055	4.1
147.11671	26.1
149.09583	20.1
149.13242	12.4
151.03879	26.1
151.11157	10.7
153.05396	3.6
155.08437	3.1
156.09355	3.9
157.10107	16.0
158.10904	7.4
159.08038	11.0
159.11693	40.1
161.09619	18.6
161.13251	42.3
163.11194	13.1
163.14801	60.3
164.15123	3.4
164.61832	2.6
165.05421	2.6
165.12723	5.2
169.10118	6.1
171.07968	3.4
171.11691	16.7
172.63460	3.2
173.09619	10.1
173.13240	62.6
174.13593	3.4
175.11154	15.4
175.14844	25.0
177.12758	14.3
179.10562	3.6
179.14285	15.3
181.04979	12.6
181.12215	4.4
183.11664	14.7
185.09648	5.0
185.13240	12.3
187.11165	10.8
187.14828	13.2
189.12686	11.0
191.10645	4.9
191.14297	66.8
193.12122	3.4
193.15891	7.8
197.13254	7.6
199.11137	3.5
199.14828	7.4
201.12724	39.0
201.16432	5.7
202.13287	2.7
203.10638	6.0
203.14334	18.2
205.12230	3.8
207.13780	27.7
209.13345	5.3
209.15355	18.8
211.11208	2.6
213.12706	10.0
215.14261	15.4
217.12242	3.5
217.15849	10.8
219.13800	19.1
221.15280	3.7
227.14270	7.4
229.12247	3.3
229.15843	4.4
231.13802	7.8
233.15341	11.1
237.14764	15.3
241.15825	4.9
243.13762	3.5
245.15343	13.1
247.13345	9.9
247.16930	3.1
249.14796	3.2
255.13680	3.3
261.14679	12.8
263.16348	9.4
273.14734	4.9
279.15854	3.2
291.15857	5.4
297.18381	5.4
327.19339	3.4
335.23724	3.4
361.19992	3.5
365.24716	4.1
393.27960	4.1
407.29422	3.2
411.29266	4.1
417.27505	9.0
421.27304	3.7
423.25635	3.4
435.29001	18.9
437.30463	9.2
439.28293	4.4
453.30017	54.5
454.30322	4.5
455.31476	9.8
463.28397	12.8
471.31042	20.2
481.29422	68.4
482.29831	6.0
499.30536	100.0
500.30826	8.1
517.31592	65.4
518.31934	3.6
552.28320	13.7
553.29541	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	552.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	5.1
57.07076	6.0
67.05505	4.9
69.07059	7.4
71.32787	5.8
79.05476	6.9
80.86630	2.7
81.07046	12.5
83.08620	4.2
86.09696	20.9
91.05479	7.0
93.07049	15.4
95.08602	25.0
97.10200	5.5
99.25501	2.9
99.64632	3.2
105.07005	15.1
107.08589	34.0
109.10146	11.7
117.07023	3.3
119.08581	15.6
121.06538	4.2
121.10129	21.9
123.08036	4.1
123.11723	5.3
131.08574	11.5
133.10115	17.4
135.11627	15.0
137.05962	4.9
137.13229	15.0
143.08542	5.4
145.10129	18.9
147.11682	8.2
149.09630	7.1
149.13229	16.7
151.14780	2.8
157.10091	4.7
159.11674	24.6
161.13277	17.4
163.09256	3.4
163.14793	19.0
169.10091	4.6
171.11687	7.4
173.13242	23.8
175.14880	9.1
177.16411	10.3
185.13269	6.0
187.14810	17.6
189.16379	4.2
191.06970	2.7
191.14249	3.5
197.13416	5.1
197.15440	5.2
199.14795	5.1
201.16403	5.8
203.14262	4.1
203.17953	3.2
205.12244	9.2
205.15947	8.2
207.13835	3.9
215.14330	11.5
217.12262	4.8
219.13896	7.2
219.17462	11.6
233.15428	5.5
235.17101	3.2
244.73489	2.9
247.16959	9.5
278.12073	3.6
313.21609	6.8
326.20749	9.1
330.27884	3.3
351.26862	7.0
359.22150	5.5
379.30011	10.6
381.31580	12.8
389.28214	4.1
397.30984	8.1
407.29428	39.5
408.29626	4.4
425.30511	44.9
429.29977	22.3
443.31580	27.4
453.29980	53.5
454.30383	5.5
465.28177	5.6
471.31073	56.0
489.32111	73.1
490.32864	6.1
517.31512	6.7
552.28528	100.0
553.28204	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	552.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06475	1.1
55.00327	1.1
55.05505	4.0
65.03937	2.4
67.05502	20.1
69.07063	12.4
69.21472	8.8
71.04994	4.7
78.29732	1.2
79.05497	4.4
81.07047	10.2
83.04973	2.7
85.06535	1.6
91.05481	2.6
93.07057	9.9
95.04933	1.2
95.08604	8.1
97.06543	2.0
99.04484	1.9
103.75203	1.1
105.07008	7.9
107.08604	12.0
109.06532	3.0
109.10150	100.0
110.10489	3.1
117.06970	1.7
119.08588	20.4
121.06509	2.9
121.10140	15.5
122.83975	1.3
123.08095	2.2
125.09627	1.9
127.11189	41.4
129.06992	2.9
131.08582	5.3
133.10115	9.9
135.08083	3.2
135.11703	4.8
137.05951	1.3
139.07608	2.2
143.08545	3.2
145.10069	5.9
147.08107	2.1
147.11658	8.7
149.09598	2.0
149.13292	3.7
151.11169	1.8
153.09108	1.4
155.08586	1.7
157.10132	5.2
159.08049	3.9
159.11685	9.8
161.09599	2.9
161.13235	11.3
163.14761	5.8
165.12717	2.9
169.10101	2.0
171.11639	3.9
173.09598	10.4
173.13277	9.6
175.11159	2.1
175.14854	6.4
177.12750	4.5
179.14349	3.0
183.11772	3.1
185.09604	2.2
185.13194	4.2
187.11185	2.7
187.14828	4.6
189.09052	1.7
189.12686	3.6
189.16386	1.8
191.14304	5.5
195.13618	1.8
199.14842	1.4
201.12772	8.7
203.14325	2.6
207.13835	7.8
209.13426	1.4
209.15378	3.3
213.12781	2.9
215.14307	6.7
217.15898	4.4
219.13837	4.5
221.15347	1.6
227.14471	1.9
229.16032	3.0
233.15277	2.9
237.14784	2.1
241.15959	1.5
245.15317	1.8
247.13263	2.2
247.16965	3.0
254.11259	1.3
261.14816	1.6
267.17361	3.0
279.15845	1.4
285.18369	2.7
327.19473	5.6
345.20712	2.8
355.19052	2.4
373.20096	8.0
375.26605	1.6
391.20999	2.1
393.27878	1.7
417.27786	4.4
435.28839	7.5
437.30472	2.2
439.28439	4.8
441.26028	2.8
453.29868	15.5
455.31729	3.1
457.29861	1.5
463.28668	2.8
471.31253	5.8
481.29498	15.1
499.30426	13.3
517.31525	12.6
518.32355	1.7
552.33685	6.9
553.29211	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	553.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
70.76855	2.5
77.35242	1.1
82.69630	1.3
88.88647	1.1
91.56790	1.3
96.09741	1.3
135.69170	1.2
152.15324	1.2
152.78735	1.2
210.94055	100.0
211.94415	2.5
228.94328	1.9
230.05209	1.4
381.07935	11.0
394.79736	1.3
553.11725	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	553.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.7
54.25343	2.1
55.01873	3.5
55.05507	5.8
56.76383	2.3
57.03422	2.2
59.05005	3.1
61.62799	1.9
62.03871	1.8
64.55007	2.1
65.03942	6.0
67.05507	11.9
69.07069	5.8
72.50633	1.7
73.45940	2.0
79.05483	14.9
81.07056	9.9
83.04987	3.2
83.08620	2.4
85.06583	2.0
91.05479	41.2
93.03413	3.1
93.07063	7.3
94.62376	1.8
95.04975	8.8
95.08614	10.7
97.06545	3.8
103.05472	8.2
105.07047	16.9
107.04948	58.9
107.08590	6.6
108.05242	2.0
109.06586	2.9
109.10190	4.2
110.03631	3.1
111.04456	6.1
115.05459	8.3
117.07045	6.1
119.04932	20.9
119.08591	6.9
121.06506	4.8
121.10160	4.0
123.08080	3.5
125.05967	11.4
128.06255	3.0
129.07051	5.7
131.04907	3.2
131.08574	20.5
133.06487	5.3
133.10136	4.3
135.08072	7.7
135.11679	3.1
137.05986	22.9
143.08586	5.0
144.05705	2.5
145.06509	6.1
145.10162	4.7
147.04401	19.4
148.04997	3.8
149.05986	4.3
149.09673	1.9
151.03906	31.8
151.05020	3.3
151.07539	64.5
152.07979	2.3
153.05476	11.3
153.09052	1.9
155.08591	1.9
157.10075	2.2
159.08051	38.2
160.08511	2.1
161.06012	8.9
161.09656	3.5
163.07550	71.6
164.08029	2.3
165.09108	6.5
167.07091	3.3
167.08611	1.8
169.06523	4.6
171.08104	4.3
173.09579	3.0
173.13226	2.5
175.07541	3.6
177.05478	6.9
177.09106	2.5
178.07851	2.3
179.07057	7.9
179.08481	1.9
179.10703	1.9
180.07811	3.3
181.04999	21.5
181.06444	4.2
181.08488	3.1
182.07222	3.1
185.09647	2.3
187.07486	2.5
187.14900	3.0
188.08351	3.0
189.05469	5.0
189.09160	5.9
189.34796	2.0
191.10681	22.9
192.11404	2.4
193.08595	32.5
193.10199	4.6
194.09349	3.3
195.08092	5.4
197.06030	8.0
197.09668	7.6
199.03883	3.5
201.09093	5.5
203.08685	3.2
203.10504	21.3
204.07777	2.6
205.08612	3.8
205.12343	3.0
209.08138	8.3
210.06731	5.1
211.07524	3.2
213.05452	3.1
213.09096	3.7
214.06296	7.6
219.10143	46.6
221.09630	5.1
221.11768	9.1
222.12502	2.7
223.07574	4.4
225.05525	4.5
225.09065	9.9
226.06314	4.4
227.03450	7.0
227.06973	2.8
227.10675	4.5
228.11412	3.5
229.08594	10.8
231.10043	2.8
235.11067	2.4
238.09978	5.9
239.07043	3.2
239.10722	7.0
240.07857	6.3
241.08624	10.7
242.05737	10.9
242.09229	2.5
248.08365	2.2
249.09117	6.3
251.07037	3.2
253.08760	3.4
253.12204	11.5
255.10220	10.1
256.10944	3.4
257.08096	14.9
257.11691	11.1
259.13065	2.7
263.10690	6.9
265.08789	3.2
265.12119	3.1
266.09283	3.0
269.08148	2.9
270.05307	5.9
271.13107	2.5
273.10950	56.3
281.11646	11.0
282.12497	7.9
283.09531	4.2
285.07657	26.2
285.10876	3.5
285.14792	4.7
289.10614	3.5
291.10181	5.4
295.13229	4.1
299.09097	3.6
309.11160	5.8
313.10709	4.6
313.14337	63.4
315.12228	9.8
317.09958	6.5
323.12567	14.7
341.13806	100.0
342.14154	7.2
355.15363	6.2
373.16348	5.5
384.19034	8.4
385.19800	25.0
401.19989	2.9
433.31091	3.4
491.23834	8.1
509.25085	61.9
510.25153	6.4
553.33411	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2769
Annotation	Saucerneol A
Peak:m/z	Relative Intensity
55.05517	2.3
60.05445	2.0
67.05495	3.0
69.07057	2.3
69.92174	9.9
73.48677	2.6
74.69181	1.9
81.07041	3.3
82.33994	1.9
82.69296	2.1
91.05441	2.3
95.08604	2.3
107.08573	3.7
109.10134	2.1
110.58388	1.8
123.21222	2.0
145.10138	2.3
146.33807	2.2
163.11270	2.0
177.82529	2.4
194.68442	2.2
267.60416	2.4
277.92447	2.0
553.27563	100.0
553.36438	27.7
554.27826	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	553.2766
Annotation	Saucerneol A
Peak:m/z	Relative Intensity
55.05505	4.3
56.30953	1.5
57.15149	1.7
65.75227	1.4
67.05481	5.4
70.11598	3.5
70.11996	5.0
70.56926	1.5
79.05467	2.8
81.07032	5.9
83.08578	2.3
85.06525	1.8
91.05443	2.4
93.07027	3.1
95.08575	5.4
105.06992	3.6
107.08552	2.1
109.10117	2.9
111.08054	1.8
119.08540	3.3
121.10100	2.9
133.10078	2.3
135.11707	2.6
136.07246	1.8
219.92018	1.8
400.88141	2.1
553.27332	100.0
554.27350	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	553.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.7
59.33216	0.4
67.05514	1.4
69.20368	2.4
69.20786	1.5
70.88521	0.5
78.89677	0.5
79.05486	1.0
81.07057	1.6
82.70660	0.4
91.05479	1.5
93.07067	1.3
95.04969	0.7
95.08626	1.4
97.06580	0.5
98.23331	0.9
105.07071	0.8
107.04959	1.2
107.08599	1.1
109.06525	0.7
109.10164	3.1
110.10527	0.6
114.51640	0.5
119.05009	0.6
119.08598	1.7
120.08962	0.5
121.10173	1.1
123.62173	0.4
127.11160	1.1
131.08603	0.6
133.10124	1.0
135.08003	0.5
145.10135	0.7
157.45711	0.5
161.13188	0.4
163.07576	0.9
167.07164	0.5
171.11784	0.6
195.10226	1.0
332.68546	0.4
348.30298	0.5
449.34235	0.7
493.33044	0.7
509.36060	6.2
553.35052	100.0
554.35297	9.7
571.36633	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.2
53.03954	5.0
54.35795	1.0
55.05508	10.4
57.07068	4.2
59.05011	1.2
65.03936	1.9
67.05508	14.9
69.03427	3.8
69.07073	12.5
69.39745	1.4
69.40145	5.9
71.04995	13.9
71.08596	0.9
77.03936	1.0
79.05497	44.4
81.03409	2.1
81.07059	18.3
83.04968	6.8
83.08612	5.3
87.04491	2.5
91.05483	20.8
93.07047	75.9
94.07353	1.0
95.04977	5.9
95.08037	1.4
95.08608	12.1
97.06530	5.4
97.10151	3.5
101.12515	1.2
105.04521	2.0
105.07038	15.3
107.04961	1.9
107.08595	62.8
109.06509	1.8
109.10166	7.0
111.04448	37.1
111.08089	2.8
113.06016	2.5
117.07011	2.9
119.08604	8.8
121.06491	2.7
121.10149	15.8
123.04436	3.7
123.08074	3.3
123.11723	2.7
125.06011	3.3
125.09628	3.3
128.06091	1.2
129.07022	2.7
131.08575	15.3
133.06441	1.2
133.10136	24.1
133.11142	1.2
135.08087	3.6
135.11696	100.0
136.12030	2.6
137.09610	14.2
139.07559	3.3
139.11189	10.2
141.81851	1.1
142.84517	1.0
143.08578	3.4
145.10117	8.4
147.08025	3.6
147.11676	2.8
149.09648	3.6
149.13269	2.2
150.10391	3.1
151.11186	1.8
153.09102	2.2
157.10187	2.2
159.08057	2.2
159.10336	0.9
159.11700	2.3
159.76157	1.1
161.09628	2.1
161.13222	2.2
163.07559	1.9
163.11092	1.0
163.14841	10.7
165.09126	17.8
167.10693	7.5
169.10104	1.8
171.11621	2.4
173.09634	3.0
173.11830	2.0
173.13228	12.1
175.11270	1.9
175.14844	3.1
177.09033	1.6
177.61371	1.0
179.10556	2.4
181.08612	12.4
183.11763	1.2
185.09720	1.3
185.13278	1.7
187.11177	1.3
187.14879	6.1
189.09349	1.0
189.12918	1.0
189.16441	1.6
191.10672	1.8
191.14316	4.7
193.12192	1.8
195.10156	2.9
195.13710	1.4
197.13358	1.7
200.18172	1.0
202.00226	1.0
205.15863	2.0
207.09978	1.2
209.15417	4.3
213.12718	1.3
215.14304	28.7
216.14880	1.2
219.13779	2.4
224.78360	1.0
229.15843	7.5
235.13280	16.3
237.12434	1.7
237.14848	33.6
238.15155	1.2
245.15297	2.8
247.16954	14.1
249.12318	1.1
249.14874	3.0
259.13351	1.0
261.14899	1.3
299.20056	2.6
299.27682	1.3
301.21582	3.7
303.19516	1.5
317.21133	20.2
329.17581	1.4
347.18530	46.5
348.18967	2.9
349.20245	2.9
363.21606	1.8
371.25815	2.9
397.23688	1.0
417.22726	23.8
418.23102	2.1
423.28867	3.2
451.28461	3.3
465.30154	9.1
466.30322	1.7
483.31024	30.5
484.31226	1.8
535.33923	2.4
553.26807	2.6
553.35266	42.6
554.35803	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	553.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.1
55.01873	4.5
55.05506	13.5
57.03428	4.5
57.07071	6.8
59.04976	2.9
67.05508	20.3
69.03433	8.8
69.07074	19.1
69.28717	12.8
70.69981	1.9
71.04992	15.4
79.05496	43.0
79.63342	1.6
81.07063	28.3
81.72617	1.8
83.04984	13.2
83.08632	5.7
85.06580	2.2
87.04497	2.0
90.67545	2.0
91.05479	32.3
93.07046	61.0
95.04958	6.4
95.08603	24.3
97.06555	11.6
97.10190	5.6
99.04477	2.0
105.07039	38.4
107.04947	3.6
107.08595	66.4
109.02900	2.4
109.06535	5.1
109.10143	14.2
111.04457	22.9
111.08109	4.9
113.06005	3.4
115.05502	2.2
117.07019	11.1
119.08561	16.6
120.09008	2.3
121.06531	6.9
121.10139	23.6
123.04426	2.6
123.08116	3.7
123.11726	7.3
125.06001	4.3
125.09643	2.9
128.06216	2.9
129.05495	7.2
129.07021	5.5
131.08568	62.4
133.06429	3.0
133.10138	66.2
133.11153	3.7
134.10573	2.6
135.08051	8.7
135.11696	71.6
137.06024	3.7
137.09618	62.2
137.13307	2.4
138.09892	2.0
139.07520	5.9
139.11156	16.9
142.07774	2.1
143.08575	13.3
145.06506	2.7
145.10129	26.1
147.08075	7.4
147.11710	8.4
149.09650	10.9
149.13284	4.0
150.10448	4.6
151.07529	2.2
151.11218	6.8
153.09103	13.8
155.08545	4.1
156.09378	2.9
157.10168	5.4
158.10971	2.1
159.08092	5.3
159.10466	1.9
159.11746	5.8
161.09630	4.4
161.13268	5.1
163.07579	13.7
163.11214	3.4
163.14758	8.5
165.09131	15.0
167.10675	12.6
169.08650	2.6
169.10141	3.4
171.08179	2.6
171.11717	4.3
172.08847	3.6
173.09657	13.1
173.13272	46.3
175.11197	2.4
175.14801	12.7
177.09163	2.7
177.12749	2.3
179.10727	8.1
181.08607	56.7
182.09132	2.6
183.10258	3.7
185.09599	2.5
185.13269	3.9
187.11102	3.1
187.14821	22.8
189.09244	2.6
189.12773	3.2
189.16441	6.7
191.10757	3.5
191.14363	7.8
193.08621	5.0
193.12268	8.4
193.16006	2.3
195.10129	2.8
197.13332	3.6
203.10812	2.1
203.14459	3.3
207.10165	3.3
207.13879	5.0
209.15431	5.9
215.14316	99.0
216.14809	4.2
217.12277	5.4
219.13893	4.8
221.11975	2.1
221.15472	4.6
229.08768	2.1
229.15916	3.0
233.15417	2.2
235.13284	71.8
236.13622	2.3
237.14850	42.7
238.15189	3.0
245.15340	3.0
247.16899	9.1
249.14886	11.4
249.29730	1.9
259.13257	2.4
261.14807	6.5
277.14435	6.4
291.16098	3.3
299.20041	8.9
301.18127	2.3
301.21475	2.2
303.19595	5.0
305.13879	4.9
317.21088	42.6
345.20709	5.0
347.18478	21.1
349.20007	2.1
353.24738	2.8
359.55405	2.3
361.19989	13.8
363.21613	3.1
371.25992	2.2
400.95932	2.3
417.22720	100.0
418.23157	7.3
419.24530	2.4
423.29004	20.8
424.28931	2.9
447.28848	4.4
451.28549	14.9
465.30154	10.7
483.31195	13.5
517.33258	2.5
535.33948	17.6
553.35278	91.7
554.35840	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	554.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91547	0.4
53.03941	0.7
55.01858	1.0
56.61933	0.4
57.03434	2.0
60.56810	0.4
61.02927	2.5
62.12021	0.4
67.61529	0.4
69.03426	3.9
69.21732	3.0
71.04984	0.6
73.02930	0.9
79.05501	2.9
81.03429	2.6
85.02904	21.6
87.04447	0.5
91.03954	0.7
91.05457	1.6
93.07037	0.7
95.04943	1.1
97.02890	6.8
98.22633	0.7
99.04465	0.8
101.78741	0.4
103.05466	3.6
105.07046	3.2
107.04954	30.7
107.08598	0.7
108.05305	1.1
109.02888	2.3
115.05464	2.0
117.07001	1.1
119.04983	0.6
121.06490	0.7
123.04439	1.3
124.05202	1.2
125.06004	0.9
127.03894	4.1
131.04935	1.4
133.06505	1.0
134.98497	0.4
135.04420	0.5
135.08047	9.4
137.05997	1.5
145.04958	6.1
145.06184	0.6
145.06403	0.4
145.07553	0.6
147.04356	0.6
149.05988	0.8
151.03905	1.4
152.04619	0.8
154.06253	1.3
163.06049	2.0
163.07535	25.4
164.07956	0.5
165.09113	0.8
167.07039	65.3
168.06110	0.4
168.07312	2.2
168.72578	0.4
180.07834	1.9
181.08591	1.5
195.10168	28.7
196.10568	0.7
196.25186	0.4
212.10100	0.5
213.11220	100.0
214.11603	3.8
214.93416	0.5
223.09506	0.6
225.11404	0.7
253.10632	0.7
311.91092	0.5
321.13263	0.6
324.85236	0.4
343.72617	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.1
56.29714	0.8
57.03432	1.2
58.65054	0.6
69.05129	2.9
69.05554	2.3
76.81950	0.6
79.05499	4.7
81.03409	1.0
81.07054	0.6
82.10757	0.6
85.02911	1.4
86.03247	0.7
90.04691	1.3
91.05460	2.4
95.04964	1.7
97.02853	0.8
103.05471	5.8
105.07031	11.8
107.04947	3.7
107.08566	0.8
109.02853	1.4
109.06504	0.8
115.05450	1.7
117.07014	0.6
118.04162	14.6
119.04935	1.7
120.05708	1.4
121.06477	2.4
122.07263	1.3
123.04437	1.1
124.05201	6.5
131.04929	1.6
133.06487	21.4
134.07304	0.9
135.04401	1.2
135.08057	3.4
137.05966	2.0
147.04407	2.1
150.06740	7.8
151.03929	1.3
151.07523	2.4
154.06256	2.7
161.06038	3.0
163.07550	4.5
165.09119	11.8
167.18439	0.6
179.06944	0.9
179.10538	0.6
181.08624	0.9
193.08598	100.0
194.08896	3.5
194.47040	0.5
195.10153	2.4
195.17279	0.6
196.90871	0.6
208.40942	0.6
209.88017	0.6
213.48126	0.6
250.10730	0.9
265.72757	0.6
338.59967	0.6
354.16913	0.6
554.29919	2.2
555.28796	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.0
55.01860	2.3
55.05512	2.0
63.13980	1.9
64.71989	1.8
65.03951	3.5
65.45120	1.6
67.05492	3.1
67.23612	1.6
69.03420	3.5
69.07062	4.2
69.68950	1.8
71.31648	2.4
71.32029	2.7
79.05476	9.6
81.03465	2.4
81.07068	5.2
83.55061	1.6
85.02904	10.5
91.05474	15.2
93.03393	4.3
93.07041	6.4
95.04987	9.9
95.08601	4.4
96.70234	1.6
97.02880	3.5
97.06544	2.8
103.05505	4.4
105.07036	8.7
107.04960	25.2
107.08566	3.0
109.02892	3.3
109.06512	2.0
109.10171	2.9
111.04453	5.9
117.06987	2.6
119.04955	4.6
119.08628	2.1
121.02879	3.9
121.06506	21.4
122.03676	4.1
123.04449	12.4
124.05197	3.9
125.05983	11.4
127.03897	2.5
128.06227	4.0
131.05006	2.7
135.08018	4.6
137.05983	69.8
143.08580	25.8
145.04929	2.9
145.06494	7.3
145.10117	4.7
147.08075	2.6
148.05197	2.6
149.05919	2.7
151.03929	12.1
151.07564	21.5
153.01857	5.5
153.05447	14.6
155.07037	6.6
158.07207	2.6
162.06743	3.5
163.07568	7.1
163.11208	2.7
165.09178	8.0
166.06261	4.9
167.07050	71.1
171.08047	42.2
172.08755	2.6
173.09647	5.7
177.09149	6.3
181.05035	5.1
181.08592	56.5
182.09007	2.1
183.06549	12.8
188.08315	18.3
191.10692	2.5
195.10194	15.0
195.11624	3.3
201.09062	10.2
203.10674	100.0
204.11079	4.1
219.10152	7.2
221.11754	36.7
223.13365	2.5
223.17041	2.4
233.11707	5.5
241.17975	5.1
246.69238	1.9
251.12773	21.9
325.14105	3.6
357.16901	34.0
358.17056	2.9
375.17926	11.2
411.47327	1.9
554.26886	5.5
555.27551	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	554.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.4
55.05506	2.0
65.03930	3.8
67.05514	2.5
69.03423	3.9
69.07057	4.4
79.05482	7.7
81.07067	3.5
85.02902	11.1
87.04446	1.9
91.05471	11.7
92.59161	2.1
93.03395	7.6
93.07036	6.8
95.04965	10.2
95.08640	2.2
97.02872	4.5
98.22433	1.8
103.05470	4.5
105.07030	8.8
107.04945	28.4
107.05592	2.9
107.08604	2.1
109.02870	2.1
111.04445	5.7
117.07030	3.9
119.04974	3.4
119.08561	1.8
121.06511	8.5
121.10110	1.7
122.03693	1.7
123.04421	13.2
124.05219	2.2
125.05999	8.2
127.03940	1.8
128.06245	2.4
131.08569	2.4
133.06497	6.1
135.08076	5.5
137.05962	71.5
137.07013	3.7
138.06273	2.5
140.04707	3.5
143.08562	20.1
145.04994	1.8
145.06480	6.7
145.10127	5.6
147.04395	2.5
149.05977	2.4
150.66473	2.1
151.03902	16.9
151.07507	17.9
153.05466	15.3
155.05876	2.1
155.07042	7.5
158.07227	3.1
162.06754	3.5
163.07462	10.1
165.09114	10.8
166.06227	5.3
167.07027	72.0
171.08035	37.0
173.05957	1.8
173.09677	5.6
177.09096	5.5
180.96068	1.8
181.05003	5.5
181.08577	63.4
182.08946	2.2
183.06554	11.1
188.08308	23.4
191.10750	2.1
195.10167	14.7
195.11711	5.0
201.09177	9.0
203.10649	100.0
219.10155	6.2
221.11716	35.4
222.12021	2.2
223.13298	2.3
233.11749	7.2
251.12785	22.5
285.67639	1.8
357.16907	33.9
358.17395	2.2
375.18027	12.7
510.29141	2.0
522.18506	2.2
524.46161	1.9
554.26654	2.7
555.27936	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
55.01855	0.6
60.97009	0.4
65.03928	0.3
69.03419	0.6
69.06066	1.1
69.06485	2.6
79.05483	3.8
81.07023	0.6
85.02885	0.9
91.05455	2.6
93.07026	0.6
94.67783	0.3
95.04961	1.3
95.08592	0.3
103.05463	3.6
105.07026	5.0
107.04948	40.1
107.08560	0.7
108.05275	0.6
115.05433	3.4
117.07016	1.3
120.05685	1.1
121.06464	0.6
122.17493	0.3
123.04424	0.5
124.05206	0.7
125.05976	0.7
128.06128	0.8
129.07005	0.4
130.67703	0.3
131.04958	0.8
133.06487	1.4
135.08038	12.6
137.05977	0.7
139.03850	0.7
140.98346	0.4
143.08572	2.6
145.06490	0.6
145.07523	0.5
147.04416	1.1
148.05185	0.4
149.05948	0.7
151.03900	0.8
151.07481	0.5
152.04642	0.6
153.05446	0.6
154.06226	3.3
161.05975	0.7
163.07538	17.4
164.07874	0.5
165.05388	0.7
167.07025	18.7
168.07288	0.4
171.08054	2.1
175.11142	1.1
180.07765	3.5
181.08589	0.9
195.10152	100.0
196.10495	3.3
203.10617	3.5
203.24297	0.3
221.11734	0.4
235.13269	20.8
236.13602	0.9
254.30801	0.5
290.41357	0.4
342.09348	0.4
356.96005	0.4
427.59219	0.5
452.43195	0.4
554.25574	0.8
555.28009	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	3.0
55.01873	2.9
55.05509	2.2
55.49409	1.9
56.52627	2.0
57.03451	1.9
67.05510	3.3
68.61359	2.0
69.03425	2.8
70.42525	7.0
71.04993	3.0
79.01869	3.0
79.05486	4.7
81.03419	6.6
81.07053	7.4
83.08635	2.4
83.84736	2.0
85.02888	12.4
86.49651	2.1
91.05478	20.1
93.07051	5.7
95.04968	3.6
95.08595	3.2
97.02883	7.3
101.68995	2.0
103.05486	5.5
105.07026	8.4
107.04971	7.8
107.08615	5.0
109.02878	5.7
109.10173	4.8
119.04939	23.7
119.08602	3.1
121.02895	6.7
121.06522	3.0
121.10151	3.5
123.08067	4.5
125.02332	3.3
127.03928	9.2
131.05000	3.3
133.06438	3.8
133.10138	5.9
135.07999	2.7
135.11708	4.0
137.05962	19.2
143.03387	3.5
146.07315	2.7
147.04460	6.8
147.08000	2.5
150.06731	3.1
151.03957	4.3
151.07561	11.5
153.01826	100.0
159.11807	2.2
163.07553	11.3
165.09119	6.3
167.07042	20.6
167.14365	3.3
171.02899	14.0
177.09123	4.9
178.09903	39.6
178.11357	3.1
179.07042	38.4
181.08667	4.2
189.09216	2.1
193.08630	4.4
203.31456	2.1
205.08629	6.7
211.09636	2.7
221.11641	2.3
297.05963	6.2
299.95932	2.2
315.07181	14.6
339.13092	3.5
357.16907	13.1
501.60095	2.9
554.29041	4.3
554.38550	2.2
555.28558	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	554.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.2
55.01876	1.5
55.05504	1.4
57.19663	1.1
58.18901	1.1
59.05002	2.1
65.03930	3.2
67.05521	1.8
69.03440	3.0
69.07076	6.0
69.56541	5.3
69.56953	2.3
78.04736	1.2
79.05494	7.6
81.03436	2.4
81.07084	1.2
85.02896	10.8
91.05470	8.3
93.03413	4.9
93.07046	5.3
94.04188	1.5
95.04971	11.8
95.08612	1.3
97.02920	2.9
103.05474	5.0
105.04506	1.6
105.07027	10.8
107.04952	32.4
107.08596	1.7
109.02911	1.3
109.06557	1.6
111.04456	4.8
115.05392	1.6
117.07021	2.5
119.04949	4.0
121.06490	8.2
122.03640	4.2
123.04443	13.9
124.05206	3.7
125.05988	9.8
127.03922	2.3
128.06232	3.8
131.04948	2.5
131.08611	2.5
133.06493	6.5
133.10094	2.0
135.08052	5.2
137.05980	75.9
138.06299	1.8
140.04688	5.0
143.08562	20.0
145.04959	2.1
145.06491	6.9
145.10133	4.9
147.04419	2.7
147.07993	1.5
149.05960	1.5
151.03902	21.0
151.07541	19.8
152.04701	1.7
153.05470	11.7
155.07007	8.6
158.07285	2.3
159.07970	1.9
162.06764	2.7
163.07549	8.3
165.09138	10.9
166.06300	3.4
167.07043	91.8
168.07404	3.9
171.06569	2.1
171.08051	32.9
172.08696	3.5
173.09624	5.0
177.09109	4.8
179.07059	2.3
179.08522	1.4
181.05031	10.9
181.08592	63.1
182.08885	1.9
183.06526	11.2
188.08339	19.7
189.08958	2.7
191.10701	5.0
195.10165	17.3
195.11775	3.8
201.09100	8.8
203.10669	100.0
204.10999	2.6
211.09705	1.8
219.10149	10.4
221.11732	49.3
222.12065	2.4
223.13301	2.9
233.11740	9.6
251.12778	41.0
252.13235	1.9
325.14340	3.3
331.85034	1.4
357.16943	47.3
358.17188	3.3
375.18039	22.5
376.18408	2.9
429.15195	1.5
555.27539	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	554.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.7
53.03930	1.0
55.01860	2.2
55.05518	1.1
57.03419	2.1
61.02927	1.2
65.03933	2.8
67.05492	1.1
69.03391	1.2
69.07053	1.0
71.04980	0.6
71.32003	0.7
75.06104	0.5
79.05482	4.6
81.03399	1.1
81.07058	2.5
83.08640	0.6
85.02907	1.9
86.09718	0.6
91.05476	35.1
92.05807	0.5
93.03408	0.6
93.07040	2.9
95.04978	1.8
95.08588	0.9
97.02907	0.7
103.05457	3.9
105.07035	4.5
107.04955	24.7
107.05688	1.2
107.08585	1.9
108.05734	1.5
109.06546	0.8
109.10172	1.0
111.04414	0.6
113.33623	0.5
115.05474	2.4
117.06990	1.8
118.04150	1.4
119.04940	40.0
119.08568	1.3
120.05283	0.9
121.06535	3.5
121.10137	1.9
123.04456	2.5
123.08067	3.7
124.05232	0.7
127.03904	0.7
131.04918	1.1
131.08553	0.6
132.05698	0.6
133.06490	4.2
133.10143	0.6
135.04469	0.8
135.08051	4.8
135.11702	0.6
136.05188	1.6
137.05963	3.3
139.07559	0.9
145.06490	0.5
145.07603	1.0
145.10101	0.8
146.07288	3.4
147.04404	21.3
147.08041	7.9
149.05981	2.1
151.03897	2.2
151.07542	17.3
152.07834	0.7
153.01825	0.6
153.05440	1.3
157.10133	0.6
161.05969	1.7
161.09645	0.9
161.13179	0.6
162.06754	1.6
163.07545	29.6
163.14902	0.5
164.08022	1.6
165.05516	1.0
165.09238	1.3
167.07042	22.7
168.07396	10.0
173.13229	0.9
175.07542	1.1
175.14838	0.7
177.05298	0.5
177.09120	14.2
178.09885	100.0
179.07025	68.8
179.10379	7.0
180.07361	2.3
180.10910	0.6
181.08563	0.6
182.07211	0.5
184.07285	0.5
187.07558	0.8
189.09149	0.8
193.08583	2.2
194.09380	1.0
205.08594	6.3
208.10956	1.3
209.08150	0.6
219.10161	4.7
227.09180	1.7
228.09427	1.2
326.15063	1.2
327.15387	1.1
357.16916	11.1
358.17383	0.7
370.90875	0.5
554.29700	5.4
554.38287	1.8
555.31964	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	554.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.0
55.05508	2.5
56.11098	0.7
57.07092	0.9
60.95232	0.8
65.03941	1.3
66.99371	0.9
67.05500	5.3
69.07057	4.5
69.23771	7.3
71.05000	1.1
71.60197	0.8
77.37309	0.8
79.05495	6.7
81.07059	14.7
83.04990	2.7
83.08621	2.1
85.06544	2.4
86.09691	0.9
91.05478	7.6
93.07033	10.0
95.04964	2.2
95.08003	1.9
95.08591	17.1
97.06520	1.9
97.10133	1.1
98.22528	1.9
99.08078	2.3
105.07030	9.5
107.04895	0.9
107.08598	18.8
108.02084	1.2
109.06521	6.0
109.10155	9.0
111.08084	3.7
117.07034	3.2
119.08584	13.8
121.06490	6.9
121.10135	12.7
123.08090	2.7
123.11729	2.8
125.06021	1.1
125.09576	1.2
128.06120	0.9
131.04933	1.2
131.08585	7.5
133.06523	1.0
133.10121	9.6
135.08060	3.6
135.11674	5.1
137.05946	2.0
137.09608	1.6
139.07544	1.6
143.08578	3.0
145.06421	1.1
145.10115	11.9
147.10628	1.1
147.11681	24.4
148.12029	1.2
149.05995	0.9
149.09581	4.2
149.13301	2.8
151.03906	15.6
151.04990	1.7
151.07579	1.3
151.11179	1.1
152.04280	5.0
152.05328	1.1
155.08609	1.0
157.10083	1.5
158.10898	0.9
159.08012	1.3
159.11697	5.2
161.09641	1.1
161.13220	4.6
162.95306	0.9
163.07451	1.9
163.11140	1.6
163.14816	7.2
167.07062	1.2
171.11778	1.7
173.09586	1.3
173.13284	2.6
175.14847	1.8
177.05457	1.0
177.12775	1.5
177.16380	23.8
181.04900	5.3
182.05286	2.6
185.13208	1.2
187.14810	33.0
189.16357	1.2
191.14323	3.2
192.07774	0.9
193.12294	1.2
197.13272	1.3
205.15877	100.0
206.16107	4.1
215.14352	2.1
223.16914	13.0
225.16490	0.9
233.15352	16.3
234.15675	1.0
241.15858	1.0
251.16423	49.5
252.16653	2.7
259.16959	1.1
260.03522	1.1
269.17450	33.4
270.17661	1.5
302.04031	2.0
303.04932	1.3
309.68585	0.8
317.06516	5.6
345.06046	6.5
377.26157	0.9
384.50201	0.9
423.22672	0.9
483.31598	1.2
501.31259	1.3
519.32703	2.6
537.13416	1.8
537.28613	1.2
554.29596	8.6
555.15588	4.9
555.29657	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	554.4043
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.2
55.01871	24.8
55.05504	12.9
57.03435	7.9
57.07067	21.7
63.49501	3.8
67.05500	32.0
69.07068	12.5
69.15278	38.3
71.04989	8.8
71.08617	7.0
79.05486	27.5
81.07048	28.7
83.04973	34.3
83.08615	14.4
91.05482	20.7
93.07040	21.6
95.04977	6.5
95.08609	33.7
95.71601	4.2
97.06533	15.8
105.07030	16.2
106.30335	4.6
107.04966	4.3
107.08600	16.8
109.10168	16.8
110.59827	3.9
111.04439	40.5
111.08096	7.6
111.11706	4.3
117.07002	11.7
119.08562	12.4
121.06493	12.8
121.10187	10.5
123.08057	18.1
123.11717	5.1
129.06999	7.1
131.08572	15.2
133.06503	14.3
133.10101	8.4
135.08047	83.4
135.11642	4.1
137.09622	7.6
143.08553	7.7
145.10110	8.7
147.08055	12.7
147.11606	5.8
149.09608	12.7
157.10089	8.4
159.08080	6.2
159.11629	5.8
161.09634	10.8
163.07527	97.3
169.08655	4.5
169.10136	6.8
173.05977	4.5
173.09700	10.0
175.11156	11.7
175.31000	4.5
181.08612	7.6
181.10120	5.0
187.11147	62.3
188.11417	3.6
197.09607	4.5
207.11725	5.7
209.09273	4.5
215.10747	13.9
221.11635	4.7
225.22081	6.8
233.11674	37.7
239.14417	6.8
261.22119	5.8
263.23743	9.7
267.13745	5.7
271.65033	3.9
278.79877	4.4
281.24741	5.0
285.14880	8.1
315.26694	19.7
333.27789	18.7
385.30737	5.3
419.33218	4.8
437.33826	9.4
447.32404	18.0
447.68375	4.5
465.33582	36.8
466.34439	5.2
483.34625	100.0
483.41626	5.1
484.35184	8.5
501.35580	77.2
502.36099	6.5
554.35486	5.6
555.31476	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	555.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.3
55.05506	0.6
57.03431	0.4
57.07045	0.2
64.41866	0.2
65.18761	0.3
67.05505	0.9
69.03416	0.3
69.07074	0.4
71.05011	0.3
74.22699	0.2
79.05487	0.8
81.03404	0.5
81.07057	1.6
83.04959	0.2
83.08599	0.3
85.02895	0.5
91.05469	0.9
93.07046	1.3
95.04966	0.7
95.08592	1.2
97.06507	0.7
103.05462	0.8
105.07008	1.4
107.04933	0.5
107.08594	1.2
109.02895	0.3
109.10135	0.4
117.07037	0.3
119.04932	0.4
119.08569	0.8
121.06571	0.3
121.10134	0.9
123.08054	0.4
123.11734	0.3
125.05976	0.3
127.03938	0.4
128.06285	0.3
129.07001	0.3
131.04915	0.9
131.08574	0.7
133.10127	0.6
135.08105	0.3
135.11720	0.5
137.06012	0.7
145.06477	0.6
145.10115	0.7
146.94467	0.2
147.04469	0.3
147.11661	0.5
149.05960	0.2
149.09616	0.5
151.03889	0.6
151.07550	0.5
157.10143	0.2
159.11742	0.3
161.05981	0.8
163.07516	0.8
163.14880	0.3
171.11699	0.5
173.09575	0.3
175.07507	0.3
179.07072	0.4
194.08823	0.3
197.13214	0.3
203.05240	0.8
219.18416	0.2
229.25969	0.3
238.15112	0.2
240.91405	0.2
275.07346	1.0
289.08456	0.3
307.09570	0.5
317.08401	0.4
335.09467	13.8
336.10001	0.3
399.19687	0.4
423.23669	3.0
431.14813	0.7
555.27643	100.0
556.28052	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	555.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78407	1.9
55.05496	4.6
57.03420	4.4
57.07074	17.4
63.04158	1.9
65.03921	1.9
67.05508	13.8
69.07053	7.4
70.00474	6.1
71.08621	12.8
79.05468	4.0
81.03384	5.8
81.07048	18.5
82.23361	2.0
83.08604	9.6
85.10166	7.4
91.05437	3.8
93.07021	6.7
95.08611	18.5
97.10130	6.4
97.10825	1.7
97.29984	2.1
98.22694	3.0
98.98467	59.1
105.07047	4.2
109.10143	8.7
121.10123	3.3
123.11765	2.8
133.10098	3.0
135.08025	2.1
135.11635	3.1
145.10167	2.6
155.01035	64.8
155.08682	2.3
159.11644	2.9
162.47806	2.0
239.23607	5.8
313.27371	40.6
317.06528	4.9
393.23938	5.4
401.28940	4.1
475.93704	2.1
535.56274	2.2
555.28949	100.0
556.29755	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	555.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64355	1.3
55.05508	6.0
57.03424	6.6
57.07071	26.4
67.05499	14.4
69.07060	7.2
69.48055	6.0
71.05019	1.0
71.08632	18.7
79.05492	4.4
81.03424	7.8
81.07051	16.7
83.08618	9.2
85.10181	10.5
89.06000	1.9
89.72582	1.1
91.05484	2.2
93.07046	2.1
95.08601	19.0
96.08949	1.2
97.06525	1.3
97.10162	6.6
98.22556	1.8
98.98460	81.8
105.07044	2.0
107.08611	2.1
109.02870	4.7
109.10137	8.4
111.11697	1.1
116.99500	1.4
119.08553	1.6
121.10191	1.9
123.11691	3.5
131.08560	1.7
133.10149	1.3
137.13205	1.4
145.10132	1.4
151.14818	1.2
155.01024	100.0
159.11772	1.2
173.02086	0.9
189.56857	0.9
205.28249	1.0
212.50905	1.0
239.23619	9.0
243.02489	1.4
313.27335	53.7
314.27777	4.5
317.06168	6.1
393.24017	5.3
401.28754	3.5
537.27136	1.3
555.32434	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	555.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.9
55.05501	8.6
57.03424	6.3
57.07072	23.0
60.57569	2.1
60.80871	2.0
67.05499	14.9
69.07066	11.9
71.04966	2.4
71.08624	18.6
71.34019	4.0
73.30768	1.9
79.05476	9.3
81.03398	6.6
81.06687	2.2
81.07050	23.2
83.08617	11.7
85.10174	9.4
91.05455	9.7
93.07011	12.4
95.08601	25.0
97.06509	5.5
97.10158	3.3
98.98460	71.8
105.07004	8.4
107.04971	3.3
107.08575	7.3
109.02874	3.2
109.10140	12.2
111.95927	2.0
114.98841	2.3
119.08545	5.8
121.10103	4.1
123.08000	2.2
123.11712	3.2
131.08495	3.8
133.10088	6.2
139.32397	2.3
145.10110	3.9
147.11685	4.9
155.01024	97.6
159.11719	4.7
161.13255	4.0
165.88275	2.4
173.13133	2.3
201.16386	2.8
231.28889	2.0
237.22208	2.4
239.23628	6.3
275.19980	6.9
313.27353	57.7
314.27667	4.6
317.06201	6.7
393.23779	6.3
401.28485	3.6
555.29144	100.0
556.29547	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	555.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.2
55.01875	7.5
55.05507	3.2
55.98701	0.7
57.03448	0.9
57.07059	2.3
59.05000	1.2
65.03940	1.9
66.59763	0.7
67.05508	10.1
68.99783	2.1
69.03421	3.3
69.07066	3.3
69.12212	1.9
69.12610	5.0
71.04684	0.9
71.05003	9.4
73.04759	1.1
77.03957	0.9
79.05499	23.7
80.05811	0.9
81.03416	1.5
81.07063	32.2
83.01340	4.0
83.04972	3.2
83.08633	1.2
85.02869	0.9
85.06553	1.9
87.04465	1.9
89.18970	0.9
91.05460	18.0
93.07053	10.1
95.04974	9.0
95.08611	6.3
97.06532	7.0
105.07044	8.0
105.39918	0.8
107.04967	2.2
107.08606	4.8
109.06522	22.4
109.10178	2.9
111.04456	1.8
111.08089	1.7
113.06013	10.7
115.05457	0.8
117.07041	3.3
119.08590	9.6
121.06520	4.2
121.10152	9.9
123.04446	1.7
123.08063	4.3
123.11744	1.8
125.02377	1.2
125.09651	2.2
127.07562	0.9
128.06238	2.8
129.07001	4.1
131.08575	3.6
133.06511	3.3
133.10117	3.8
135.04326	0.7
135.08052	5.3
135.11700	2.2
137.05984	6.7
137.09644	7.6
139.03963	1.3
139.07587	1.2
139.11176	11.4
141.05460	3.7
141.07025	1.0
142.07805	1.6
143.08551	6.0
145.06503	3.1
145.10162	3.9
147.04437	0.8
147.08067	7.9
149.06020	1.5
149.09636	5.5
149.13283	1.3
150.10422	3.3
151.07555	3.0
151.11104	0.9
153.05478	8.2
153.06755	1.0
155.07007	1.6
155.08562	2.5
156.09283	1.0
157.05077	1.7
157.06482	1.7
157.10156	2.0
159.08061	4.6
159.11653	2.1
161.05963	1.1
161.09641	8.4
163.07565	5.3
163.11192	2.1
163.14894	1.1
165.05562	2.0
165.06996	1.6
165.09129	12.8
167.03415	2.2
167.08592	1.8
167.10689	4.8
169.10178	1.3
171.08051	5.0
171.11714	2.2
173.09685	2.4
173.13274	2.2
174.06778	1.0
175.07558	8.6
177.05490	3.0
177.09146	3.5
178.06282	1.7
179.07083	0.9
179.08612	1.4
179.10670	1.7
181.04997	2.4
181.08627	2.3
181.10081	1.0
183.08174	0.7
183.10211	3.0
183.11668	1.3
185.09636	3.3
187.07574	4.4
187.11284	1.8
187.14894	1.0
188.08221	0.8
189.09122	9.7
189.12764	1.5
190.06293	0.9
191.07062	8.3
191.10669	1.1
191.14323	3.1
192.07816	5.6
193.08612	31.0
194.09018	1.3
195.08119	1.2
195.10144	2.0
196.08778	0.8
197.09637	2.7
199.07620	1.2
199.11253	2.2
201.09050	1.5
201.12723	1.5
203.07059	1.7
203.10628	3.7
205.08646	12.9
207.10143	7.6
207.13838	2.5
208.10591	1.1
209.08124	2.9
209.09825	1.3
209.13432	1.6
209.15427	3.1
211.09636	34.8
212.09996	1.2
213.09123	4.0
213.12770	2.3
214.09703	1.0
215.07053	1.2
215.10706	1.9
215.14325	1.6
217.08601	2.1
217.12227	1.7
219.10268	1.0
219.13832	4.2
221.08083	10.5
223.09660	2.2
223.11420	1.4
224.08301	1.0
225.04340	1.8
225.09137	1.8
226.04375	1.0
226.09608	1.0
227.10681	1.4
227.14330	1.2
229.08618	2.1
229.12383	1.8
230.09357	1.6
231.10193	19.9
231.13783	1.6
232.10626	1.1
233.15337	1.7
235.13347	3.6
237.12794	1.2
237.14865	22.0
239.10632	5.3
241.12206	3.6
242.09325	1.3
243.10229	1.5
245.08142	0.9
245.11768	4.0
246.12427	0.8
247.13295	8.2
249.11218	18.0
249.15009	1.3
251.16394	1.4
255.10170	1.5
255.13834	5.9
257.11734	9.0
258.12268	1.1
259.13245	4.4
261.14865	1.1
263.12830	5.0
264.13718	1.2
265.12241	1.6
265.14450	12.9
267.13892	1.4
268.10995	1.1
269.11829	1.4
273.14899	3.2
275.12732	8.2
277.14465	1.1
279.15887	1.3
283.13281	14.9
284.13477	1.0
285.14813	4.5
287.12744	1.3
297.11288	2.3
301.14325	31.5
302.14786	1.7
303.15948	2.9
305.13907	1.4
315.12344	1.3
319.15408	70.3
320.15741	4.1
336.07974	0.9
355.06995	1.3
355.19092	3.8
356.07053	1.5
367.15793	0.8
373.20099	35.9
374.20520	1.6
385.16479	3.8
399.25342	1.2
429.22644	4.4
443.23730	0.8
467.24231	4.1
472.68988	1.0
485.25406	7.6
513.36206	0.8
519.27325	1.4
537.28711	7.1
538.28827	1.0
555.29541	100.0
556.29889	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	555.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.7
55.01877	6.4
55.05507	3.2
57.03432	1.0
57.07074	2.3
59.05005	1.9
61.63565	0.6
65.03934	2.5
67.05502	9.0
68.99793	1.7
69.03444	3.8
69.07077	3.7
71.04992	11.6
79.05491	24.5
80.05845	0.8
81.03420	2.0
81.07052	31.2
83.01334	4.1
83.04981	3.0
85.02917	0.8
85.06543	2.6
87.04465	1.9
89.06068	0.6
91.05476	20.7
92.05851	0.7
93.07043	10.4
95.04963	6.7
95.08608	7.0
97.06528	8.2
97.10165	0.9
99.04440	1.3
103.05470	1.0
105.07029	8.8
107.04965	1.6
107.08578	4.8
109.06522	26.3
109.10167	2.8
111.04462	1.5
111.08089	2.2
113.06007	12.8
115.05471	1.3
117.07008	2.9
119.05035	1.2
119.08586	8.4
121.06506	4.5
121.10143	11.1
123.04448	2.7
123.08066	5.2
123.11684	2.1
125.06008	1.6
125.09665	1.8
128.06238	3.1
129.06990	4.9
131.08566	4.6
133.06491	2.8
133.10127	4.6
135.04417	1.0
135.08075	4.6
135.11691	2.3
137.05995	8.0
137.09619	7.8
139.03941	1.6
139.07562	1.2
139.11169	12.4
141.05470	5.3
141.06964	1.0
142.07802	1.5
143.08554	4.6
145.06520	3.3
145.10129	5.1
147.08044	8.2
147.11716	2.0
149.05984	2.2
149.09634	5.5
149.13245	1.4
150.10440	2.6
151.07567	2.7
151.11197	2.1
153.05481	10.3
153.06738	1.0
153.09094	1.3
155.07104	1.7
155.08498	1.7
156.09360	1.2
157.04927	1.5
157.06422	0.7
157.10121	3.2
158.07307	0.8
159.08063	3.7
160.08890	0.8
161.06047	2.2
161.09633	11.0
163.07544	6.1
163.11224	2.7
163.14899	0.8
165.05482	2.4
165.06946	1.4
165.09108	11.8
166.07664	0.7
167.03419	2.7
167.07211	1.0
167.08539	1.7
167.10675	5.3
168.09265	0.9
169.08594	1.5
169.10175	1.6
171.08015	4.6
171.11623	1.5
173.09621	1.7
173.13310	2.5
174.06769	1.4
175.07532	8.4
175.11174	1.7
176.08180	1.3
177.05492	2.2
177.09113	3.9
177.12685	1.4
178.06238	1.4
179.03426	0.9
179.07028	1.2
179.10693	1.3
180.09291	1.1
181.04959	1.7
181.08594	1.9
181.10106	0.9
181.12257	0.8
183.08064	1.1
183.10168	2.0
183.11670	1.4
185.09608	3.1
185.13171	1.0
187.07524	4.4
187.11180	2.0
189.09096	12.2
189.12720	1.1
190.09425	0.8
191.07033	10.3
191.10681	1.1
191.14381	3.6
192.07799	8.1
192.09357	1.2
193.08601	34.7
193.10333	1.7
194.09146	1.1
195.08084	1.1
195.10069	1.1
195.11755	1.5
195.13783	0.9
196.08887	1.0
197.09656	2.8
197.13217	1.1
198.06813	1.2
198.10435	1.2
199.05954	0.9
199.11203	2.4
201.09082	1.1
201.12814	1.2
203.07027	2.7
203.10658	4.5
205.08611	13.6
205.12260	0.8
205.38068	0.8
207.10170	7.6
207.13852	2.9
209.08089	2.9
209.09824	1.0
209.13582	1.1
209.15303	4.1
211.07701	1.2
211.09607	36.0
212.10004	0.9
213.09155	4.0
213.12669	1.8
214.09962	1.0
215.07133	0.9
215.10721	2.4
215.14331	1.0
217.05064	1.1
217.08624	2.8
217.12308	2.4
218.48296	0.7
219.10110	1.4
219.13834	3.2
221.08067	11.6
221.11670	1.3
223.09680	3.2
223.11488	1.3
225.09138	1.1
226.09958	1.7
227.10716	2.5
227.14308	1.2
229.08612	2.4
229.12289	2.0
229.17691	0.9
230.09361	1.2
231.10162	19.8
231.13785	1.4
232.10663	1.8
233.08009	1.2
233.11758	1.0
233.15381	1.2
235.13356	3.2
237.12781	1.6
237.14848	22.9
238.15218	1.5
239.07071	0.9
239.10629	7.0
241.12273	5.1
242.09308	1.4
243.10176	1.6
245.11676	3.5
247.13292	10.0
249.11226	16.7
249.15019	1.4
251.16412	1.8
253.12177	1.1
254.09207	0.9
255.10326	0.8
255.11255	0.8
255.13809	5.9
257.11703	10.1
259.13266	4.3
260.10519	0.8
263.12888	3.9
264.13583	1.6
265.12146	2.6
265.14444	12.3
267.13733	1.3
268.11023	1.6
269.11746	1.4
273.14911	2.1
275.12772	7.4
275.15820	0.9
277.14359	1.0
283.13281	15.5
284.13571	1.4
285.14719	4.3
287.12885	1.6
297.11188	4.1
301.14340	28.2
302.14539	1.5
303.15961	2.1
311.16513	1.0
315.12411	1.4
319.15390	59.4
320.15720	3.5
337.18024	1.2
355.18994	4.7
373.20071	30.1
374.20520	2.5
385.16364	3.5
399.25226	1.1
429.22733	4.8
449.23300	1.2
467.24347	2.4
485.25327	6.7
519.27069	1.0
537.28351	5.4
538.28650	1.0
555.29504	100.0
556.29858	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	555.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	5.3
55.05502	5.7
57.07054	4.7
59.05018	2.0
60.22637	1.8
65.03934	2.3
65.88543	1.8
67.05505	12.0
69.01579	3.5
69.01980	16.8
69.03427	4.1
69.07072	6.8
71.04984	9.6
79.05485	27.2
81.07058	36.4
83.01350	3.2
83.04971	4.1
83.08639	3.0
85.06559	2.6
91.05485	21.2
93.07063	13.8
95.04948	10.8
95.08601	11.0
97.06529	6.2
97.10190	3.4
105.07024	10.4
107.04968	1.7
107.08600	5.2
109.06526	27.0
109.10158	4.8
111.04435	3.1
111.08064	3.3
113.06023	12.8
117.07030	4.0
119.08584	11.4
121.06525	4.4
121.10140	12.2
123.08094	4.2
125.09629	2.0
131.08578	5.4
133.10124	5.0
135.08084	4.9
135.11702	4.3
137.05986	5.2
137.09639	7.3
139.11174	11.7
141.05492	5.5
143.08568	6.3
143.92828	1.8
145.06471	1.9
145.10147	8.4
147.08054	8.4
147.68811	2.1
149.09624	7.4
149.13281	2.2
150.10356	2.3
151.07567	4.8
153.04434	2.2
153.05455	12.1
155.07068	2.7
155.08499	2.6
159.08022	3.9
159.11594	2.4
161.06021	2.0
161.09648	8.4
163.07573	5.4
163.11230	2.3
165.05507	2.6
165.09085	8.8
167.03391	2.8
167.10696	4.5
171.08090	3.6
171.11673	3.7
173.13333	2.2
175.07567	8.2
175.11299	2.0
177.09088	3.7
181.04973	2.5
185.09698	2.3
185.13242	2.4
187.07608	4.6
187.11142	2.4
189.09099	10.7
189.12654	1.9
191.07053	8.7
191.14374	3.3
192.07875	4.7
193.08583	30.1
193.10191	3.1
199.07625	2.4
199.11226	2.3
201.12593	2.5
203.06949	3.2
203.10745	2.8
205.08533	12.8
207.10199	6.9
207.13812	2.8
209.08089	4.3
209.15427	4.4
211.09586	36.7
213.09171	6.6
213.12708	3.1
215.07121	2.8
217.08588	4.9
217.12315	2.0
219.13872	5.1
221.08124	6.0
227.10677	2.9
229.08635	3.2
229.12282	2.9
231.10161	21.0
231.13779	2.0
235.13356	4.3
237.14851	19.1
239.10710	6.0
241.12279	4.4
242.09499	2.0
245.11749	6.2
247.13194	9.0
249.11241	21.1
249.13763	2.0
249.14951	3.3
255.13820	7.0
257.11783	9.6
259.13269	4.1
261.15051	1.8
263.12912	3.6
265.11951	4.4
265.14520	11.0
269.11572	2.5
275.12799	8.2
279.16153	2.3
283.13254	20.3
285.14914	2.6
287.12936	3.4
301.14337	29.2
302.14743	2.1
305.13937	2.8
319.15396	70.2
319.19095	4.0
320.15808	4.2
355.19135	6.4
373.20029	26.5
374.20566	3.3
429.22748	10.7
430.23386	2.3
449.23389	2.9
451.09375	1.9
467.24234	4.6
485.25446	8.7
537.28357	15.6
555.29510	100.0
556.29462	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	555.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.3
55.01871	8.3
55.05509	3.1
57.03432	1.7
57.07080	4.0
59.05000	2.5
65.03955	2.5
67.05505	11.9
68.99811	2.3
69.03426	5.4
69.07078	3.1
69.09650	7.4
71.04987	11.8
71.08626	1.5
79.05491	29.6
79.05955	1.5
80.05819	0.9
81.03432	2.3
81.07056	40.6
83.01328	5.2
83.04974	4.8
83.08635	1.1
85.06550	2.4
87.04474	1.4
89.06036	2.4
91.05476	24.1
91.06052	1.2
93.07040	13.5
94.88333	0.8
95.04961	10.3
95.08588	6.5
97.06523	8.2
99.04461	0.9
103.05483	1.1
105.04505	1.1
105.07020	11.8
107.04984	2.2
107.08591	7.4
109.05769	1.7
109.06517	33.3
109.10129	5.0
110.06889	0.9
111.08099	1.5
113.05997	14.4
115.05472	1.8
117.07049	4.4
119.08579	12.9
121.06510	5.3
121.10146	12.4
123.04444	3.0
123.08074	6.1
123.11697	2.0
125.02323	1.4
125.05983	1.9
125.09619	2.1
128.06194	4.4
128.92104	1.0
129.06981	5.3
131.08540	6.5
133.06541	4.6
133.08635	3.0
133.10118	6.1
135.04420	1.4
135.08058	5.9
135.11690	1.9
137.05981	10.0
137.09607	8.8
139.07539	1.2
139.11177	14.2
141.05435	5.6
141.06978	2.0
142.07759	2.1
143.08556	7.4
145.06496	3.2
145.10114	7.3
147.08051	9.7
147.11653	2.2
149.05991	3.3
149.09590	5.7
149.13284	2.0
150.10382	2.8
151.07564	3.2
151.11212	2.8
153.05478	10.9
153.09088	0.9
154.07820	1.0
155.07114	1.6
155.08575	1.8
157.04956	1.8
157.06514	1.3
157.10156	3.2
158.07327	1.0
159.08025	4.4
159.11783	1.1
160.05191	0.8
161.06015	1.4
161.09605	10.8
163.07550	7.2
163.11192	2.9
163.14716	0.8
165.05531	2.4
165.06949	1.9
165.09103	14.9
166.09499	0.9
167.03386	2.4
167.07191	1.0
167.08502	1.9
167.10678	4.6
167.67715	0.8
168.09367	1.5
169.08694	1.9
169.10184	2.2
171.08044	6.5
171.11745	3.0
173.09601	1.8
173.13222	2.3
175.07545	10.6
175.11206	1.4
177.05444	3.7
177.09109	4.0
177.11295	1.1
177.12791	1.0
178.06258	2.3
179.07158	1.4
179.08569	1.7
179.10699	1.8
180.09380	1.0
181.04935	2.8
181.06410	0.9
181.08624	1.6
181.10118	1.1
183.08267	0.8
183.10168	3.0
183.11687	1.8
185.09621	3.5
185.13156	1.8
187.07539	5.2
187.11148	2.5
189.09113	10.7
189.12787	2.1
190.06340	1.2
191.07030	10.6
191.10773	1.6
191.14349	2.9
192.07793	6.5
193.08598	34.3
194.09140	1.2
194.10863	0.9
195.08157	2.0
195.10173	1.7
196.08783	1.4
197.06035	0.8
197.09647	1.5
197.13332	1.4
199.05984	1.3
199.07619	1.2
199.11156	1.8
201.09059	1.7
201.12743	1.4
203.07085	3.0
203.10614	4.1
205.08572	16.1
207.10080	7.3
207.13884	3.3
209.08041	4.8
209.09906	1.0
209.13484	1.7
209.15424	4.5
211.09610	49.1
212.08252	1.4
212.10051	1.8
213.09134	6.3
213.12804	2.8
214.09882	1.6
215.10585	2.0
215.14392	1.9
217.05045	1.5
217.08627	2.1
217.12360	2.0
219.10243	2.0
219.13857	3.8
221.08035	9.9
222.10324	1.5
223.09532	2.1
223.11441	1.3
226.09886	2.0
227.10594	4.0
229.08685	2.1
229.12268	2.5
231.10147	26.2
231.13834	1.9
232.10722	0.9
233.08075	1.2
235.13290	5.3
237.12730	2.8
237.14844	25.9
238.15376	1.3
239.10706	7.1
240.11357	1.2
241.12302	3.6
242.09315	2.6
243.10158	1.4
245.11783	3.3
247.13263	6.4
249.08769	0.8
249.11198	19.6
249.14964	2.1
251.16429	1.1
253.08633	1.2
254.09315	1.0
255.10225	1.3
255.13860	6.9
257.11703	11.0
257.15442	1.4
259.13315	3.7
263.12735	4.1
265.12164	2.9
265.14511	10.7
268.11032	1.9
269.11761	2.7
273.14880	3.6
275.12741	9.7
283.13245	18.6
285.14902	4.9
287.12985	1.4
297.11270	3.4
298.46109	0.9
301.14331	39.2
302.14658	1.6
303.12735	1.0
303.15939	3.1
305.13864	1.8
311.16113	1.1
319.15375	94.4
320.15707	5.4
337.18094	1.1
355.18988	4.2
373.20074	31.5
374.20575	2.5
385.16513	3.8
399.25504	1.1
429.22708	9.5
430.23325	1.4
445.22009	1.3
449.23587	1.7
467.24258	5.3
485.25241	12.3
511.26730	1.0
519.27570	1.8
537.28467	13.8
555.29504	100.0
556.29852	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	555.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86483	1.4
53.03921	1.8
55.01878	6.1
55.05510	11.1
57.07069	5.2
59.12458	1.7
67.05505	17.0
69.03441	3.9
69.07063	10.1
71.04991	8.6
71.08649	2.6
79.05495	26.8
81.03429	3.0
81.07059	38.0
83.01360	2.9
83.05004	5.5
83.08622	6.7
85.06530	2.3
87.04491	3.0
89.06034	1.8
91.05490	17.7
93.07043	17.7
95.04963	8.4
95.08616	12.7
96.16241	1.7
97.06535	5.3
97.10159	8.1
105.07040	9.8
107.04941	1.8
107.08594	12.1
109.06522	26.1
109.10140	9.0
111.08098	4.4
113.06004	8.6
117.07050	2.8
118.84348	1.5
119.08578	12.9
121.06512	5.2
121.10142	13.4
121.59719	1.6
123.04456	2.8
123.08120	4.3
123.11708	2.5
125.09628	4.7
128.06195	1.8
129.07085	2.4
131.08589	5.5
133.06502	2.5
133.10146	6.2
135.08086	6.2
135.11713	4.8
137.06023	6.9
137.09612	10.7
139.11151	12.1
141.05495	4.2
142.07768	2.2
143.08578	6.4
145.06529	4.2
145.10150	4.7
147.08028	8.3
147.11673	3.3
149.06004	1.7
149.09679	5.5
149.13255	3.9
150.10434	2.5
151.07655	2.4
151.11165	2.0
153.05496	7.2
153.09058	2.2
155.07051	1.7
157.10181	2.9
159.08044	2.5
159.11691	3.1
161.09604	9.7
161.13231	2.6
163.07576	6.1
163.11215	4.6
165.05586	3.6
165.09120	10.6
165.12839	2.4
167.10701	5.2
171.08141	5.6
171.11601	2.2
173.09654	2.5
173.13252	2.5
175.07617	4.5
175.11084	2.0
176.89191	1.5
177.05547	2.1
177.09099	4.6
179.08516	1.7
181.05003	3.8
183.10216	2.8
185.09676	2.2
187.07686	1.9
187.11298	2.2
189.09166	8.5
189.11188	3.6
191.07037	9.3
191.10588	1.9
191.14333	2.8
192.07886	3.1
193.08611	23.2
193.10191	2.6
197.09644	3.8
199.07565	2.1
203.07098	2.9
203.10698	3.8
203.14319	1.8
205.08603	15.1
207.10146	9.0
207.13765	2.4
209.15376	3.5
211.09633	28.6
213.09181	5.1
213.12601	1.7
215.14372	1.7
217.08754	1.7
219.13889	2.4
221.08112	4.0
223.09589	3.7
227.10747	3.0
231.10179	16.4
231.13722	2.4
233.15552	2.3
235.13309	2.6
237.14824	21.8
239.10757	4.7
241.08817	2.0
243.10176	3.2
244.10947	1.9
245.11772	3.0
247.13434	5.7
249.11163	14.5
249.18498	1.9
251.16498	2.1
251.20145	2.0
255.13791	3.3
256.61667	2.0
257.11694	7.5
259.13388	5.2
263.12769	3.2
265.14474	7.5
269.11734	3.2
273.14926	4.6
275.12878	5.5
279.16068	2.1
283.13260	17.0
285.14874	3.7
297.11136	2.0
301.14337	25.5
302.14630	2.8
303.15839	2.0
305.13455	2.0
319.15390	96.2
320.15750	4.2
341.08057	1.9
355.19147	5.3
373.20078	39.3
385.16687	3.3
429.22757	3.5
467.24075	5.0
483.19443	4.4
485.25327	8.2
519.28046	2.5
537.28284	8.0
555.29535	100.0
556.29419	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	556.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	0.6
69.03409	0.6
71.34212	0.8
79.05476	0.9
82.86658	0.5
85.02892	1.4
89.34676	0.5
91.05486	1.2
94.04177	1.1
95.08628	0.6
96.58315	0.5
97.02866	0.7
97.53617	0.5
102.76710	0.5
103.05452	7.1
105.07053	1.1
107.04945	1.6
115.05433	1.4
117.06968	1.2
119.08591	1.0
121.06489	1.4
121.10117	1.1
122.03619	2.0
125.05999	0.6
129.06972	2.6
131.04915	14.4
133.06470	1.2
135.04411	0.5
135.08026	0.8
137.05969	30.0
143.07042	0.8
145.06465	0.6
147.08014	1.5
149.05946	0.7
151.07515	0.8
153.01846	1.2
153.05357	0.6
157.06488	3.7
159.11745	0.8
160.05157	2.1
161.05939	2.3
163.07530	37.8
164.07849	1.0
175.07530	100.0
176.07886	3.3
177.05324	0.6
179.07016	0.7
181.04941	1.2
185.05946	1.8
189.09100	2.6
191.07021	7.7
205.08601	9.6
209.08133	4.8
217.08591	3.7
235.09633	63.3
236.09982	2.8
247.51770	0.6
299.12790	1.1
323.12637	0.9
341.13840	18.5
342.13986	1.2
345.48993	0.6
557.21606	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10602	3.2
58.64159	3.4
69.03413	5.4
69.04952	32.1
79.01845	4.0
79.05489	4.3
81.03423	9.6
85.02898	14.0
90.74252	3.0
91.05490	6.7
93.07043	6.4
93.33553	2.8
95.22508	3.0
97.02896	8.0
102.74557	3.3
103.05457	4.6
105.07028	9.0
107.08607	26.2
109.02901	8.0
109.06489	3.3
123.11726	5.2
127.03923	8.7
131.04930	5.9
131.08568	18.5
133.02863	3.6
133.06541	5.8
137.05980	14.3
140.27983	3.4
147.04306	3.4
149.09604	8.1
151.03893	14.8
151.07507	3.4
153.01825	100.0
153.03049	5.0
161.05977	11.3
163.07545	6.6
165.05490	3.9
167.07037	13.2
171.02867	12.9
175.07539	10.0
181.03154	2.9
181.04938	11.1
187.07494	4.3
189.12811	10.0
193.08658	4.1
207.13818	14.1
225.07573	7.2
255.08826	4.6
297.06171	4.4
297.21420	3.4
315.07175	23.0
331.11923	3.3
391.14734	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	556.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44358	0.4
53.03945	1.2
54.40289	0.5
55.01882	0.6
57.03436	1.2
65.03947	2.4
66.92514	0.5
69.03429	3.0
69.13612	4.6
70.16057	0.5
71.04985	0.8
71.29766	0.4
78.32868	0.5
79.05482	1.4
80.95818	0.4
81.03410	6.0
85.02900	3.8
91.05468	5.5
92.05766	0.5
94.04121	0.6
95.04964	6.7
97.02883	4.1
98.22523	0.9
99.04443	1.1
103.05463	1.7
105.07031	5.7
107.04966	2.9
107.08585	0.7
109.02863	3.3
111.04419	1.7
115.05511	0.7
117.07059	1.0
118.04169	1.1
119.04907	2.8
119.08601	0.6
121.02859	100.0
121.06526	2.0
121.10117	1.0
122.03127	1.3
122.03665	0.7
123.04469	0.7
123.56565	0.4
127.03934	2.8
128.06209	0.6
129.06990	3.6
131.04936	3.7
131.08557	2.8
132.05681	0.9
133.02882	0.6
133.06488	6.0
133.10123	0.7
134.06819	0.5
135.04478	0.6
135.08046	0.7
137.05972	27.6
138.06273	0.8
139.03886	16.2
141.06984	0.7
143.03333	0.5
143.04950	0.5
144.05722	0.6
145.04945	0.8
145.06465	1.6
146.07230	3.3
147.04378	0.8
147.08009	1.2
148.05171	2.1
149.05959	1.6
149.09634	3.5
151.03894	1.1
151.07538	5.7
153.01823	8.1
153.05464	3.0
155.08577	0.6
157.06499	2.3
158.07153	0.6
159.08061	1.3
161.05968	88.1
161.09598	20.1
162.06299	2.4
163.07516	4.1
165.09108	4.3
167.07010	1.3
171.02962	0.8
171.08131	0.7
174.06746	3.2
175.07541	11.3
177.05417	0.5
177.09137	1.8
179.07097	0.5
181.04958	2.2
182.05333	0.6
183.10153	2.9
185.05989	0.8
187.07457	1.6
189.09093	51.0
190.09396	1.4
191.06976	2.1
193.08617	0.8
194.07150	0.7
195.06534	2.3
195.10101	2.3
199.07590	0.6
201.09108	1.1
205.08575	0.9
207.10149	84.7
208.10518	3.1
211.07631	0.7
213.09135	1.1
219.10144	3.2
221.05949	0.7
225.09108	1.2
235.07367	0.7
235.09583	1.7
237.09114	1.1
237.11258	0.8
248.08263	0.6
249.08908	0.7
257.13828	8.9
265.06830	7.3
266.09070	0.6
273.11163	2.2
277.08466	1.6
278.09253	1.0
279.10208	0.9
283.08060	17.2
285.11151	2.0
297.11154	2.9
305.11707	0.7
307.09677	0.8
309.11227	1.2
311.12692	4.4
315.06821	0.6
315.12274	1.4
321.11102	0.6
323.12643	1.6
327.12347	0.6
337.14355	4.5
341.14157	0.7
349.14282	0.7
355.15359	16.4
356.15637	0.6
367.15427	3.4
385.16534	1.7
397.16412	8.7
398.16656	0.6
426.32144	0.5
461.19339	1.0
467.89093	0.5
479.20801	2.8
491.20294	0.5
509.21439	1.6
556.22839	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.7
55.01866	2.1
56.75218	0.8
57.03423	1.2
61.02913	1.0
67.05492	1.3
69.03413	3.8
70.75714	1.5
70.76044	1.3
71.04984	1.0
72.44590	0.9
78.04673	1.0
79.05479	2.9
81.03420	1.8
81.07059	1.7
85.02905	12.7
88.31676	0.9
91.05475	15.6
93.07027	3.7
95.04967	3.0
97.02896	3.8
102.04710	1.5
103.05467	19.7
105.07023	7.5
107.04952	6.4
108.05717	1.6
109.06502	2.9
111.04465	1.4
115.05408	2.0
117.07010	1.4
119.04945	14.6
121.02849	1.6
121.06476	4.8
122.03650	1.2
123.04417	1.8
123.08057	4.7
125.05962	1.9
127.03925	2.8
130.04163	4.3
131.04922	65.2
131.08583	0.9
132.05272	2.0
133.02814	5.0
133.06496	5.5
135.04408	2.9
135.08055	3.5
136.05150	1.8
137.05957	20.0
138.06729	2.1
145.06493	2.0
147.04396	15.1
149.05981	12.5
150.06723	3.0
151.03876	2.3
151.07538	24.9
153.01775	1.3
153.05460	7.4
159.04356	1.8
161.04698	0.9
161.05971	21.3
161.09633	2.6
162.06752	17.0
163.07533	100.0
164.07927	3.0
165.05458	5.9
167.07043	7.4
168.07253	1.0
169.08586	2.4
173.05965	2.8
175.07574	3.5
177.05473	8.7
177.09123	1.9
179.07022	34.7
179.08609	2.1
181.08595	11.6
189.09106	7.2
191.06935	2.0
193.08597	3.4
193.10155	1.1
194.09422	1.1
195.10013	1.3
197.08067	22.9
205.08565	2.0
207.10146	13.2
209.08115	2.1
209.11729	1.9
219.10114	1.1
221.09674	1.9
223.07614	1.7
223.09555	6.6
235.09564	2.7
249.09042	2.1
253.08424	1.3
267.10175	1.1
281.08224	1.9
302.42828	1.0
309.11157	3.3
311.12726	0.9
313.10788	1.6
327.12231	39.1
328.12369	2.6
347.14883	4.2
355.15369	2.3
359.14883	27.4
360.15216	1.5
377.15961	11.4
485.17148	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.1
57.03424	1.2
61.02938	1.1
67.29375	1.1
69.03428	3.7
69.07057	1.3
69.41615	8.0
79.05505	3.2
81.03412	2.5
83.84336	1.2
85.02916	8.1
91.05481	4.5
93.03426	1.2
93.07053	3.0
95.04963	2.5
97.02900	4.2
103.05467	2.3
105.07028	3.5
107.04958	8.9
109.02876	1.5
109.06499	1.7
117.07009	1.3
119.04955	1.8
119.08548	1.7
121.06521	6.0
123.04436	5.1
125.05989	1.2
127.03909	3.0
128.06250	1.6
129.06992	7.3
131.04935	1.9
131.08531	1.2
133.02917	1.8
133.10126	1.5
135.04428	2.2
137.05983	13.8
140.04692	1.4
145.04970	1.5
145.06538	1.4
146.09412	1.1
147.04395	13.6
147.08043	5.0
149.06010	7.8
151.03908	2.2
151.07532	1.2
152.04723	1.1
153.01883	5.2
153.05481	4.5
154.02197	1.8
157.06488	6.3
159.08147	1.5
161.06003	5.4
163.07565	3.9
165.05475	2.2
166.06213	1.9
167.07039	36.5
167.08458	1.8
168.07370	3.9
175.07544	30.9
177.05557	1.6
178.07712	1.1
179.06993	2.0
180.08897	1.2
181.06453	1.7
181.06844	2.0
181.08580	24.4
187.07635	2.8
189.09132	2.1
191.08722	1.2
193.08635	5.0
195.08046	2.2
197.09576	1.7
205.08528	1.9
208.08932	1.4
209.06052	1.2
211.07582	2.3
219.08153	1.8
223.07613	2.5
225.23528	1.1
226.06219	1.5
241.08711	2.0
243.10240	2.2
251.07019	2.0
251.10486	1.2
253.08585	1.9
255.10249	1.9
265.08344	1.3
269.08130	3.8
269.11594	1.2
270.08878	1.8
271.09698	3.3
273.11121	1.4
279.10178	1.7
283.09567	1.7
288.10037	1.8
297.11270	2.4
300.09940	1.2
301.10782	9.8
303.12173	3.3
311.12747	2.6
317.13922	1.9
323.12936	1.7
329.13837	15.4
341.13727	2.8
347.14871	100.0
348.15378	5.7
405.77411	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	19.8
55.05515	2.8
56.01355	1.2
59.29854	1.4
63.81688	1.2
67.05498	2.2
67.36908	1.2
69.03421	4.1
69.07082	2.4
69.13892	2.9
69.14286	12.3
72.04514	3.3
79.05489	4.4
81.03418	2.8
81.07047	3.0
83.04964	3.7
85.02890	5.5
90.79275	1.3
91.05476	8.1
92.39872	1.4
93.07044	5.8
95.04961	3.7
95.08585	1.5
97.02892	6.1
98.22550	2.4
100.59789	1.4
105.03389	3.4
105.07025	5.1
107.08578	3.3
108.05257	1.4
109.02835	1.5
109.10180	2.6
111.04429	4.1
117.41511	1.4
119.04905	2.1
119.08593	8.8
121.06561	1.9
121.10135	4.7
122.03662	2.4
122.09631	1.5
125.02374	8.6
129.06961	2.2
131.04907	1.9
131.08569	5.9
135.04385	1.7
135.11649	1.4
137.05977	41.6
137.09673	1.8
139.03900	8.6
145.06448	1.8
145.10120	2.1
147.08083	7.0
147.09131	1.7
149.05962	5.7
149.09613	5.0
151.03900	8.3
151.07538	15.3
153.01791	3.1
154.02118	1.9
157.06509	2.4
159.08083	7.0
161.05980	2.8
162.07536	1.9
163.07549	2.6
165.09114	1.9
167.03392	2.1
173.20877	1.5
174.06686	1.7
175.07541	24.1
176.08324	1.7
177.09093	1.4
179.03407	2.1
179.06998	3.4
179.10591	3.7
181.06412	2.0
183.08067	2.5
187.07553	2.6
189.09082	4.1
191.10622	9.5
193.10136	4.5
195.06425	2.0
195.08124	1.8
197.09578	3.3
197.13223	2.8
201.09081	4.3
203.07019	4.5
203.10617	4.9
209.09483	1.8
210.10379	2.2
211.07578	1.8
211.11223	1.7
215.07072	3.6
215.10567	1.7
217.08536	2.0
221.09596	4.2
224.08324	4.6
225.09029	8.5
227.07059	3.8
229.08742	1.7
229.12213	3.2
235.09633	5.9
238.09882	4.8
239.10651	11.2
241.08536	3.9
243.06537	3.6
243.10022	3.5
243.13770	3.6
249.09099	4.9
251.06900	1.5
253.12164	7.5
255.10098	2.2
257.11749	9.0
266.09354	3.1
267.10181	4.5
269.07910	2.4
271.05963	2.4
271.09610	4.9
271.13278	13.8
277.08578	3.9
281.11777	13.9
281.14728	2.0
283.13412	2.0
294.08832	2.3
299.12759	100.0
300.13162	5.2
303.12207	2.3
303.15894	1.9
305.24677	2.3
309.11072	8.3
313.14346	1.9
317.13828	6.9
327.12225	36.2
327.15866	1.6
328.12396	2.1
331.15402	4.4
345.13382	5.0
359.14920	9.9
369.90958	1.6
556.18884	1.9
556.27679	4.6
557.19781	1.9
557.28882	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	556.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58700	1.0
57.03441	1.0
59.59358	0.9
60.67871	0.9
65.03936	1.2
69.03419	1.6
69.52791	6.4
70.48837	1.0
74.20713	1.1
74.59097	0.9
75.04517	1.1
76.61227	0.9
79.05521	1.5
81.03409	3.7
85.02908	2.5
91.05470	7.2
91.40048	1.0
95.04965	3.3
97.02912	2.2
102.97479	1.0
105.07025	5.3
107.04977	2.3
109.02880	1.3
111.04513	1.3
117.07070	1.2
118.81642	1.2
119.04926	2.8
120.72282	1.0
121.02859	50.1
121.06524	2.3
122.03132	1.4
128.06255	1.4
129.07010	5.2
131.04912	3.1
131.08553	2.3
131.54004	1.1
133.06494	4.7
135.08023	1.3
137.05972	27.3
139.03889	9.0
145.06500	2.1
146.07281	3.8
147.04384	1.5
148.05217	4.3
149.09613	1.4
151.07593	6.5
153.01877	2.5
153.05450	2.0
157.06516	2.8
158.07434	1.0
161.05975	100.0
161.09605	21.4
162.06357	2.5
162.09976	1.1
163.07562	3.9
165.09157	3.4
174.06795	3.0
175.07532	11.6
177.09117	2.8
183.10139	2.3
185.05989	1.5
187.07526	1.4
189.09097	52.1
190.09418	1.5
191.07076	2.8
193.08580	1.2
194.07332	1.3
195.06564	1.3
195.10109	1.9
207.10152	98.6
208.10551	3.1
213.09058	1.4
219.10233	4.7
225.09123	1.3
237.09195	1.7
239.13077	1.2
249.09094	1.7
257.13766	5.1
265.06802	2.7
267.10403	1.4
273.03040	1.0
273.11240	2.5
277.08527	1.9
279.10077	1.3
283.08105	10.0
285.11334	1.2
297.11227	3.9
303.10034	1.5
309.11346	1.2
311.12808	5.7
321.11313	1.4
323.12927	2.5
337.14249	5.1
341.13730	1.3
355.15369	23.8
356.15622	1.4
367.15405	4.4
382.49103	1.2
385.16122	1.8
397.16452	10.2
451.43707	1.2
479.20410	4.5
509.21494	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	556.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.01871	1.0
55.52610	0.8
57.03441	2.2
67.05478	1.2
69.03420	2.3
69.07069	3.1
69.64939	0.9
69.68636	2.2
69.69047	3.2
79.05489	1.7
81.03419	3.0
81.07059	4.4
85.02901	10.1
85.06552	1.6
91.05449	4.4
94.04185	1.9
95.04949	1.3
95.08616	3.0
97.02879	3.1
97.06534	1.1
99.04443	0.8
99.08099	20.0
103.05470	3.9
105.03386	0.9
105.07046	5.2
107.04981	5.2
107.08590	1.1
109.02881	1.8
109.10168	2.0
115.05425	1.2
117.07033	3.5
119.04954	1.6
120.37866	1.0
121.06516	1.1
122.03657	3.5
123.04446	2.8
123.11713	2.2
127.03941	3.4
130.07796	2.8
131.04927	7.0
133.06502	2.5
135.04434	1.8
137.05975	99.5
138.06364	2.4
143.08537	2.3
144.05693	2.2
145.05016	1.9
145.06497	10.2
145.10120	20.7
147.04407	2.7
147.07990	1.5
148.05177	1.1
149.05942	1.5
151.03891	1.7
151.07538	5.6
153.05406	5.2
155.07149	1.4
155.08440	1.0
158.07320	4.9
159.08109	1.0
160.05101	0.9
161.06041	2.8
163.03877	1.6
163.07539	6.0
164.08311	1.5
165.05545	1.6
165.09109	3.6
167.07042	21.6
168.07442	1.1
172.30696	0.9
173.09627	34.3
176.08307	1.0
177.05501	2.9
178.09875	4.2
179.07060	2.4
181.08563	0.9
190.10068	0.9
191.07024	2.1
193.08586	1.2
197.19049	2.1
203.10550	1.3
205.12241	100.0
206.12570	4.9
210.74380	1.0
215.20103	3.3
221.51169	0.9
223.13277	20.8
235.13353	9.6
243.07819	0.9
253.14441	2.8
303.75714	0.9
315.12216	3.8
341.13980	4.7
359.14993	1.5
377.16016	3.1
556.27490	2.5
557.29742	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	556.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.01871	1.0
55.52610	0.8
57.03441	2.2
67.05478	1.2
69.03420	2.3
69.07069	3.1
69.64939	0.9
69.68636	2.2
69.69047	3.2
79.05489	1.7
81.03419	3.0
81.07059	4.4
85.02901	10.1
85.06552	1.6
91.05449	4.4
94.04185	1.9
95.04949	1.3
95.08616	3.0
97.02879	3.1
97.06534	1.1
99.04443	0.8
99.08099	20.0
103.05470	3.9
105.03386	0.9
105.07046	5.2
107.04981	5.2
107.08590	1.1
109.02881	1.8
109.10168	2.0
115.05425	1.2
117.07033	3.5
119.04954	1.6
120.37866	1.0
121.06516	1.1
122.03657	3.5
123.04446	2.8
123.11713	2.2
127.03941	3.4
130.07796	2.8
131.04927	7.0
133.06502	2.5
135.04434	1.8
137.05975	99.5
138.06364	2.4
143.08537	2.3
144.05693	2.2
145.05016	1.9
145.06497	10.2
145.10120	20.7
147.04407	2.7
147.07990	1.5
148.05177	1.1
149.05942	1.5
151.03891	1.7
151.07538	5.6
153.05406	5.2
155.07149	1.4
155.08440	1.0
158.07320	4.9
159.08109	1.0
160.05101	0.9
161.06041	2.8
163.03877	1.6
163.07539	6.0
164.08311	1.5
165.05545	1.6
165.09109	3.6
167.07042	21.6
168.07442	1.1
172.30696	0.9
173.09627	34.3
176.08307	1.0
177.05501	2.9
178.09875	4.2
179.07060	2.4
181.08563	0.9
190.10068	0.9
191.07024	2.1
193.08586	1.2
197.19049	2.1
203.10550	1.3
205.12241	100.0
206.12570	4.9
210.74380	1.0
215.20103	3.3
221.51169	0.9
223.13277	20.8
235.13353	9.6
243.07819	0.9
253.14441	2.8
303.75714	0.9
315.12216	3.8
341.13980	4.7
359.14993	1.5
377.16016	3.1
556.27490	2.5
557.29742	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	556.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	3.1
59.88076	1.5
65.03941	4.1
67.05500	6.3
69.07077	4.2
76.32313	1.5
77.93451	1.7
79.05491	4.8
81.03418	3.6
81.07053	5.4
83.04962	1.8
83.08604	2.1
91.05482	13.0
93.03416	3.4
93.07055	5.5
95.04984	4.4
95.08611	3.4
96.99146	1.5
97.06551	3.7
98.22530	3.2
103.05480	4.2
105.07034	12.1
107.04952	25.3
107.08599	3.7
109.10172	2.3
111.04455	4.5
115.05488	3.5
117.07041	7.9
119.04926	5.5
119.08574	3.9
121.06501	4.6
122.03644	3.6
125.05997	6.3
128.06218	4.2
129.07007	3.8
131.04938	4.3
131.08595	3.9
133.06490	4.3
133.10126	4.9
135.08040	6.5
135.11646	1.8
136.05269	2.4
137.05972	98.4
138.06335	3.4
143.08568	16.9
145.06503	17.7
145.10161	4.9
146.07240	6.3
147.04410	3.0
147.07993	4.1
147.11734	1.6
148.05229	3.0
151.03917	34.3
151.05023	2.7
151.07547	24.8
153.05420	10.5
159.08040	9.2
161.05971	2.1
161.09628	2.9
162.06760	12.9
163.07556	33.1
165.09090	11.9
171.08055	19.4
171.11635	1.7
175.07544	29.7
175.11079	2.0
175.81027	1.6
176.08302	1.7
177.09120	16.1
178.09885	21.2
188.08340	20.4
189.09067	11.6
191.07056	3.3
191.10661	4.4
193.08568	2.1
199.07571	3.2
201.09122	2.5
203.10675	70.2
203.28233	1.8
204.11020	4.0
219.10130	3.8
221.11717	100.0
221.27568	1.8
222.12144	2.3
225.09106	2.5
226.09897	2.3
227.10657	2.7
229.12357	2.7
233.09523	3.9
239.06953	1.9
241.12225	11.7
251.10822	2.1
252.83017	1.6
259.13278	23.9
260.13641	1.9
269.08057	3.6
283.13196	3.3
293.11676	4.2
311.12753	7.0
313.14438	5.0
325.14328	5.6
327.15866	3.2
350.10455	2.3
365.17606	9.1
383.18497	4.1
397.20093	4.4
503.24023	3.0
556.28455	3.4
557.28595	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	556.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	5.2
61.54630	2.1
65.03938	5.7
67.05496	9.2
69.07051	4.6
71.04988	4.8
71.32636	2.7
79.05486	8.9
81.07054	6.0
83.04951	2.9
83.08626	2.5
91.05482	17.0
92.05806	2.8
93.03385	3.2
93.07011	5.6
94.04188	3.7
95.04956	4.9
95.08604	8.7
96.08898	2.7
97.06504	2.8
97.10139	2.9
103.05453	12.0
105.07043	13.0
107.02859	2.1
107.04957	27.5
107.08615	4.3
109.10181	4.4
111.04441	6.6
113.01324	2.2
115.05470	5.7
117.07048	10.2
119.04921	5.5
119.08547	5.3
121.10115	3.4
122.03618	6.5
123.08071	2.9
124.80968	2.2
125.05997	9.9
128.06212	8.2
129.07002	2.9
131.04887	3.5
131.08557	6.8
133.06490	6.4
133.10110	3.8
135.08025	9.7
137.05975	100.0
138.06346	3.1
141.06992	2.3
143.08553	27.0
144.05740	2.4
145.06480	20.7
145.10132	3.8
146.07266	6.5
147.04431	2.3
147.07974	5.7
147.11682	2.6
151.03873	11.0
151.07547	39.2
153.05498	12.8
155.08589	2.3
159.08031	5.6
161.09633	4.7
162.06769	16.6
163.07545	39.8
165.05511	3.7
165.09102	9.6
171.08035	34.0
172.08861	2.4
173.05882	2.5
175.07521	20.6
177.09116	18.8
178.09898	17.6
179.10565	2.7
187.07574	2.6
188.08324	23.1
189.09039	9.1
189.11258	2.3
191.06993	4.9
191.10660	6.1
193.08684	3.5
195.08018	2.8
199.07529	4.5
201.09097	3.2
202.09917	4.0
203.10654	86.4
204.11003	5.9
207.81172	2.4
210.10394	2.8
213.09120	3.2
215.10762	3.0
217.12268	8.9
219.10054	3.7
221.11703	82.9
222.11974	6.4
225.08948	4.0
226.09872	3.7
227.10335	2.4
229.12192	2.4
231.13750	2.7
233.09633	3.3
235.13264	13.7
241.12274	12.3
259.13339	13.9
269.08020	3.0
285.11209	10.3
293.11691	3.1
299.12585	2.5
311.12689	4.2
313.14404	5.6
325.14264	10.4
327.15915	7.2
329.13754	7.6
341.17545	4.3
365.17435	8.1
397.19919	3.3
503.24173	6.9
556.28687	3.6
556.36279	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	556.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.8
55.01874	1.8
55.05505	15.5
55.49095	1.6
57.03433	8.1
57.07073	47.2
58.07426	1.6
67.05163	1.9
67.05502	22.8
69.07064	14.0
69.24474	12.1
70.06589	18.3
71.05005	2.9
71.08260	2.8
71.08625	29.3
72.08156	1.9
73.02926	3.2
78.90836	1.6
79.05480	19.7
79.65552	1.7
81.03441	1.6
81.07052	24.9
83.08620	14.0
85.06526	1.8
85.10173	17.6
86.09686	3.9
87.04453	1.9
88.07621	10.0
89.06016	10.5
91.05459	8.1
93.07042	34.8
95.04964	3.7
95.08017	3.3
95.08598	45.0
97.02894	1.8
97.06544	2.5
97.10147	6.0
99.04433	3.7
102.09177	5.8
103.05460	1.8
105.07019	5.9
107.04971	5.5
107.08585	21.6
109.06492	2.6
109.10146	9.9
111.04398	1.6
117.06293	1.7
117.07003	8.3
119.08595	9.8
121.06495	4.7
121.10169	9.0
123.11710	3.6
125.05986	2.0
131.08560	2.2
132.10217	7.1
133.08562	3.8
133.10106	2.9
135.08072	2.2
135.11681	36.7
145.10117	18.7
146.11749	9.7
162.29266	1.6
163.11171	36.2
164.11534	2.4
175.07567	1.7
177.11270	1.4
181.12276	6.0
200.78658	1.6
212.23734	2.7
227.12764	55.0
230.92738	1.6
256.26306	12.0
272.25876	2.3
283.15372	42.4
283.26303	52.8
284.26764	3.0
300.28928	32.1
301.29315	2.3
311.29443	6.0
313.27338	64.0
314.27731	3.7
371.22952	2.1
521.38446	37.3
522.38898	5.3
556.52899	100.0
557.53339	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	557.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66440	2.5
52.16687	2.4
60.09083	1.9
69.22954	15.7
70.06586	3.9
82.99849	3.6
101.00870	27.2
109.01337	3.9
113.00842	5.7
113.77731	2.3
117.03953	4.7
119.01913	65.0
120.01982	3.9
127.02420	8.5
131.01909	30.1
137.02945	9.3
141.04012	4.8
143.01888	37.4
145.02313	3.8
145.03455	67.7
146.03633	2.5
147.01384	2.5
149.03003	3.3
155.01884	24.7
156.01927	2.3
157.03455	13.8
159.05037	15.5
161.02943	46.4
163.04565	15.4
167.01913	9.1
168.21472	2.4
169.03455	53.3
171.01407	5.7
171.05049	14.3
173.02950	41.5
175.04451	2.6
175.11859	3.8
177.06004	3.1
179.01851	4.9
181.03427	8.1
183.04982	3.0
185.02950	56.4
185.04623	3.1
187.04507	100.0
188.04712	5.3
189.02419	19.2
189.05997	3.4
197.02930	18.9
199.04536	19.6
201.06052	4.1
203.03967	24.6
203.08080	2.3
207.03416	3.6
211.04523	15.9
212.85097	3.2
213.02368	13.7
213.06023	4.4
214.84937	9.4
215.00365	2.8
215.03990	14.9
217.05583	3.3
219.15491	2.2
221.05048	6.5
223.04536	5.8
225.02414	8.6
227.04048	9.0
229.05589	7.6
231.03510	32.8
232.03996	2.7
233.01389	4.1
239.03860	2.7
243.03474	5.7
244.57213	2.4
245.05055	97.5
246.05197	6.6
257.01392	7.5
257.05020	6.5
263.06085	15.0
271.06638	18.4
273.04422	2.7
275.02466	73.1
275.06073	30.3
276.02365	2.6
287.02432	24.6
293.03516	20.3
293.07071	7.7
297.04520	3.9
305.03479	26.9
305.07156	10.2
315.05557	6.1
333.06757	4.1
335.04575	25.0
335.08215	6.4
341.03342	5.7
359.04581	26.3
365.09354	7.2
377.05627	57.1
378.05826	7.8
395.06662	69.3
396.06870	4.3
493.19986	2.3
536.18481	2.1
539.10681	5.5
557.11951	24.6
557.20013	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	557.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99868	1.7
78.20977	1.5
82.99834	4.1
86.99332	1.7
87.58421	2.3
101.00874	41.4
104.61100	1.7
105.62254	1.8
109.02876	3.0
113.00866	9.1
117.03992	5.3
119.01917	59.8
119.02760	3.8
120.02057	2.5
127.02402	19.2
129.03989	3.3
131.01898	31.9
132.02026	2.0
137.02940	6.0
141.03970	3.9
143.01881	39.8
144.01979	2.3
144.99637	1.8
145.03455	79.3
146.03578	4.8
147.01401	3.1
147.05072	2.8
153.03894	1.9
155.01874	28.8
157.03450	11.5
159.05032	27.9
161.02956	42.4
163.04507	14.9
167.01898	15.1
169.03447	60.7
170.03560	2.6
171.01401	6.6
171.05038	14.6
173.02968	36.1
175.04523	4.0
179.01889	4.3
181.03404	9.6
183.04988	2.5
185.02943	59.3
186.03157	2.8
186.14528	1.6
187.04510	100.0
188.04762	5.0
189.02411	18.4
189.05965	3.9
191.03952	3.1
193.03543	2.6
197.02945	17.8
199.04498	18.2
201.02368	1.9
201.06030	2.7
203.03964	18.4
207.03488	2.0
209.03091	2.5
211.04517	19.5
213.02444	22.7
213.05995	3.3
215.00328	3.4
215.03975	14.4
217.05556	3.1
221.05087	5.6
223.04579	5.5
225.02434	7.1
227.04071	10.3
229.05626	9.0
231.03484	32.6
233.01489	2.4
237.02507	2.1
243.03693	4.1
245.05042	87.2
246.05148	4.8
253.05562	2.3
255.03830	2.2
257.01437	7.3
257.05011	6.1
263.06110	11.2
267.03604	2.3
271.06613	21.9
273.04562	3.3
275.02472	86.1
275.06012	14.7
276.02560	4.2
287.02521	27.9
287.05560	1.7
288.02725	2.7
289.07611	2.0
293.03510	21.6
293.07162	6.4
298.28589	1.7
299.02325	2.5
305.03503	30.2
305.07080	9.5
315.05515	7.7
316.05765	1.9
317.03424	3.5
333.06631	4.6
335.04593	32.3
335.08344	3.9
336.04666	2.3
341.03470	6.7
357.52454	2.3
359.04556	24.6
365.09256	5.7
377.05615	54.4
378.05737	4.9
395.06683	75.1
396.06711	5.6
459.78012	2.0
539.10858	6.5
552.28638	2.0
557.12042	23.7
558.12408	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40604	0.6
53.03942	1.0
55.01849	0.8
69.03426	3.3
70.81943	1.0
71.04985	1.4
79.01855	3.7
79.05454	1.1
81.03403	5.6
81.07061	0.9
85.02921	3.7
90.88971	0.6
91.05473	2.7
91.45179	0.6
95.04951	0.7
97.02877	4.0
99.04446	1.6
105.07051	1.9
107.01321	2.0
107.04987	1.5
109.02866	4.6
109.10141	1.8
115.05426	0.7
119.04964	0.7
121.02854	1.1
125.02363	3.8
127.03899	5.8
129.06996	1.3
133.10123	1.7
137.05969	5.1
137.09645	1.2
138.06314	0.8
139.03920	0.8
143.03387	4.2
145.04991	1.3
147.04488	0.9
151.03954	1.4
151.07559	1.3
153.01820	100.0
153.02878	4.6
154.02170	2.6
161.05969	10.9
161.08450	0.9
161.09598	6.0
162.06313	4.6
162.09952	1.1
163.07576	1.0
165.09085	3.1
167.07057	2.6
171.02888	10.3
175.07559	2.1
181.08675	0.8
189.09077	6.1
190.09474	3.2
207.10144	10.8
208.10464	4.7
208.70236	0.6
219.10056	0.7
273.11566	0.7
279.04669	0.8
297.06064	5.6
315.07098	10.1
355.15463	1.1
356.15848	1.4
557.26233	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40604	0.6
53.03942	1.0
55.01849	0.8
69.03426	3.3
70.81943	1.0
71.04985	1.4
79.01855	3.7
79.05454	1.1
81.03403	5.6
81.07061	0.9
85.02921	3.7
90.88971	0.6
91.05473	2.7
91.45179	0.6
95.04951	0.7
97.02877	4.0
99.04446	1.6
105.07051	1.9
107.01321	2.0
107.04987	1.5
109.02866	4.6
109.10141	1.8
115.05426	0.7
119.04964	0.7
121.02854	1.1
125.02363	3.8
127.03899	5.8
129.06996	1.3
133.10123	1.7
137.05969	5.1
137.09645	1.2
138.06314	0.8
139.03920	0.8
143.03387	4.2
145.04991	1.3
147.04488	0.9
151.03954	1.4
151.07559	1.3
153.01820	100.0
153.02878	4.6
154.02170	2.6
161.05969	10.9
161.08450	0.9
161.09598	6.0
162.06313	4.6
162.09952	1.1
163.07576	1.0
165.09085	3.1
167.07057	2.6
171.02888	10.3
175.07559	2.1
181.08675	0.8
189.09077	6.1
190.09474	3.2
207.10144	10.8
208.10464	4.7
208.70236	0.6
219.10056	0.7
273.11566	0.7
279.04669	0.8
297.06064	5.6
315.07098	10.1
355.15463	1.1
356.15848	1.4
557.26233	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3083
Annotation	Dronedarone
Peak:m/z	Relative Intensity
53.71621	3.4
55.05513	8.3
57.07072	9.5
61.40715	3.7
67.05503	12.4
69.07061	6.1
70.60754	9.4
71.08630	6.6
73.40494	3.7
79.05496	5.5
80.33636	4.5
81.07053	14.5
83.08604	8.2
89.06033	4.5
91.05489	7.1
93.07038	10.2
93.84969	3.7
95.08613	13.5
105.07027	8.6
107.08595	7.7
109.10143	5.3
119.08649	6.5
121.10143	10.2
126.89792	3.6
133.08600	5.9
133.10172	4.6
145.10120	5.8
166.51962	3.5
200.65215	4.0
283.26178	6.2
313.27505	9.9
317.24353	3.6
556.52765	8.2
557.30609	100.0
557.53168	11.4
558.30725	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	557.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	11.1
55.01873	21.8
55.05512	37.7
57.03422	7.8
57.07070	7.4
59.29153	2.3
59.36619	2.6
60.91649	2.6
65.03930	11.3
65.26024	2.6
67.05504	70.0
69.03418	6.3
69.07067	50.8
70.64821	4.3
70.65155	4.8
71.04980	12.2
79.05486	63.4
80.05811	3.7
81.03420	22.3
81.07052	83.0
82.07376	3.1
83.01347	6.1
83.04975	19.8
83.08624	22.3
85.02902	3.2
85.06524	5.3
91.05477	78.3
93.07044	72.8
93.07605	5.0
95.01324	12.1
95.04980	18.7
95.08604	75.9
96.08951	4.0
97.06531	27.5
97.10177	8.8
99.04469	5.5
103.05471	5.2
104.10770	3.1
105.04539	4.4
105.07025	100.0
106.07317	4.6
107.04947	29.6
107.08590	53.1
109.06540	13.7
109.10143	25.9
110.03722	2.6
111.04396	7.2
111.08092	12.1
113.09679	3.2
115.05511	3.5
117.07020	29.7
119.08578	88.1
121.06495	10.4
121.10141	43.3
123.08078	9.7
123.11714	8.4
125.09614	7.4
129.07016	7.4
130.07709	2.7
131.08560	45.2
133.06494	4.7
133.10127	75.3
134.10522	2.9
135.08035	11.8
135.11700	23.0
136.12027	3.6
137.06001	3.8
137.09608	7.0
137.13313	2.7
141.06999	2.8
143.08553	9.3
144.09285	5.3
145.10117	56.4
145.11220	4.1
147.08049	3.8
147.11697	32.7
149.09650	10.4
149.13284	7.7
151.07547	3.7
151.11151	5.4
155.08600	4.5
157.10156	11.9
158.10844	3.6
159.11700	47.7
161.13263	18.9
163.07529	4.5
163.11165	23.8
163.14777	6.3
165.09167	4.3
167.10680	2.8
169.10126	3.1
171.11700	9.2
173.09602	5.4
173.13235	13.8
175.14824	17.0
177.09132	7.9
177.12790	5.4
177.16389	9.0
179.14307	18.9
183.11748	5.9
185.13264	6.4
187.11197	4.4
187.14806	29.6
187.98619	3.0
189.16380	18.5
191.17921	5.0
197.13271	7.0
199.14806	5.1
201.16391	47.5
203.14465	2.9
203.17915	6.5
205.15863	14.8
207.13803	3.5
213.16422	5.9
215.17993	8.8
219.17421	6.1
223.00177	2.8
227.17976	3.0
229.15907	3.8
229.19478	4.6
233.15411	3.1
235.16982	3.6
239.17906	3.5
247.16945	27.4
247.20824	2.7
257.19086	7.4
275.20056	80.4
276.20425	5.2
293.21069	4.5
301.14084	9.3
371.14816	3.7
389.16162	3.4
389.31842	6.7
407.33124	4.4
425.69812	2.7
433.51282	3.2
435.32578	21.7
447.28311	2.8
506.92545	2.9
539.33624	3.5
557.35553	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	558.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.5
55.01865	1.9
55.05505	1.5
64.90213	1.0
65.29628	0.9
66.29274	1.0
66.85388	0.9
67.05499	1.1
69.03437	1.3
69.07068	3.5
69.64165	5.1
71.04984	6.2
79.05492	11.7
81.03434	1.7
81.07050	2.3
83.04995	1.8
85.02910	0.9
87.67281	1.1
90.63303	1.0
91.05485	6.6
93.07040	9.5
95.04961	2.0
97.06559	1.7
98.22596	1.1
104.14079	1.0
105.07037	8.4
107.04959	6.3
107.08585	18.2
108.08972	1.0
116.06253	1.4
117.07008	3.0
119.08567	3.6
121.06503	12.1
121.10150	7.9
125.06023	2.1
129.07042	2.1
130.07816	1.2
130.27443	0.9
131.08562	70.3
132.08850	2.1
135.04352	1.1
135.08116	1.2
135.11713	1.5
137.05998	1.6
139.07475	1.0
141.05444	1.5
143.03427	1.8
145.10118	16.9
147.08022	2.4
147.11656	1.1
149.05997	1.7
149.09610	27.5
150.10008	1.3
153.01828	19.5
153.03018	1.9
153.05449	4.5
155.07018	1.2
163.07506	1.3
163.11194	10.5
165.09123	2.6
167.07051	3.8
167.10773	1.1
171.02785	1.4
173.09567	1.7
191.10651	22.1
192.11049	1.6
195.10184	4.4
209.11713	100.0
210.12126	4.1
256.29257	0.9
315.07117	4.6
401.16800	1.1
403.09213	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.7
53.03940	0.7
57.03449	0.6
65.89972	0.4
67.05514	0.6
69.03429	2.7
69.70415	1.6
71.04974	0.7
79.01845	2.8
79.05467	0.9
79.51665	0.4
81.03403	6.0
83.30822	0.4
85.02898	3.8
85.06532	3.6
91.05473	0.5
97.02870	3.3
99.04424	0.7
105.07034	1.1
107.01310	1.6
107.08583	0.9
109.02875	4.9
110.50674	0.5
111.04403	0.4
119.08565	0.5
121.06560	0.9
121.10149	0.7
123.06583	0.4
125.02370	2.6
127.03906	7.2
129.06958	0.5
131.08565	4.2
143.03418	3.8
145.04939	1.1
145.10120	1.6
149.09663	2.0
153.01814	100.0
154.02165	1.7
163.11130	1.0
163.73087	0.5
167.10669	1.5
171.02873	10.9
172.03175	0.6
191.10674	3.2
193.08601	0.6
207.10236	0.4
209.11707	5.6
227.12802	7.1
276.14050	0.4
279.04971	0.9
297.06046	4.3
315.07056	19.9
316.07373	1.5
362.54340	0.5
519.68988	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
55.01853	1.6
55.05504	1.7
59.09035	1.2
67.05502	1.5
69.07067	3.5
69.69038	5.0
71.04984	7.9
79.05493	11.0
81.03402	2.2
81.07071	1.7
85.02853	1.2
91.05486	8.8
93.07033	12.1
95.04947	2.1
97.06547	1.5
98.22672	1.6
103.05473	3.1
105.07019	9.1
107.04952	8.9
107.08596	16.8
109.06516	1.9
115.05495	1.5
117.07035	2.5
119.04930	2.5
119.08589	2.6
121.06514	13.4
121.10114	8.3
125.05998	2.0
127.03922	1.8
129.06993	3.1
130.07721	1.5
131.04897	2.4
131.08562	65.9
132.08885	2.1
135.08041	3.2
135.11684	1.8
137.05995	14.0
145.10126	16.0
147.04498	2.0
147.08044	1.5
149.05975	4.0
149.09612	28.3
150.09964	1.4
151.07549	8.4
153.01808	18.5
153.02930	2.1
153.05482	3.4
161.05983	11.9
161.09581	3.5
162.06613	1.6
163.07516	10.2
163.09982	1.6
163.11147	9.3
165.09164	2.6
167.07065	2.9
171.02911	3.1
172.38835	1.3
173.09613	1.8
181.04965	1.6
189.09123	9.7
191.10661	20.3
207.10159	12.9
209.11714	100.0
210.12070	4.6
227.10692	1.5
255.10175	1.7
287.12723	3.7
297.06091	2.5
298.83398	1.5
311.12793	1.7
313.14331	4.3
315.07114	4.9
331.15439	9.4
340.26410	1.1
343.15359	1.4
354.19055	1.5
555.12048	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
55.01872	1.2
57.03429	1.3
67.05515	1.1
69.03433	2.5
73.02905	1.0
79.05505	3.0
81.03429	3.7
85.02903	7.9
91.05474	6.5
92.12427	0.8
93.03403	0.9
93.07049	3.8
95.04996	1.3
97.02901	1.9
97.06549	1.0
99.04456	1.1
103.05492	5.2
105.07045	5.5
107.04962	16.6
108.66657	0.7
109.02898	1.4
109.06515	2.1
115.05437	4.7
117.07027	4.0
119.04947	2.5
119.08602	1.1
121.06509	12.0
121.10151	2.9
122.06841	0.9
123.04421	4.2
125.06045	0.8
127.03938	1.7
128.06279	1.1
129.07077	1.6
131.04935	8.8
131.08566	1.5
132.05692	1.0
133.06500	4.6
135.04436	1.2
135.08104	4.0
136.05202	1.8
137.05994	6.1
138.06540	1.3
141.06969	1.4
143.04932	1.9
144.05737	1.2
145.05396	0.9
145.06506	5.3
145.07559	1.3
146.07278	15.7
147.04408	10.1
147.08034	7.3
148.05125	2.5
149.05978	13.8
149.09627	2.5
150.06647	0.7
151.07532	20.0
152.07983	1.1
153.01811	1.2
153.05473	0.8
153.07242	0.8
159.08064	6.1
161.05983	42.6
162.06783	8.2
163.07547	25.4
164.08093	2.2
165.05507	2.7
165.09125	4.1
167.07045	4.1
169.06429	1.2
173.05956	9.2
175.07547	2.7
177.05559	1.2
177.09102	24.5
177.10555	1.4
178.09891	100.0
179.07014	1.1
179.10361	4.2
181.08633	1.7
187.07538	24.8
188.07953	1.4
189.09148	1.4
191.07031	5.9
193.08669	3.9
193.10156	0.8
194.09450	3.7
205.08604	32.8
206.08923	1.2
207.06467	1.1
207.10191	2.0
209.08096	2.0
223.09604	3.0
238.09770	1.1
241.08691	1.2
249.09155	2.2
250.09833	1.6
253.12276	2.2
266.09561	1.0
268.10965	1.5
271.13290	1.0
275.10736	1.0
281.11853	5.8
299.12772	56.9
300.13077	3.0
307.13217	2.3
313.14514	1.2
325.14322	24.7
325.17923	1.6
326.14545	1.3
343.15393	15.2
353.14136	1.0
365.14142	1.0
495.47522	0.8
558.25226	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56754	1.6
55.01876	2.9
69.03416	3.3
70.84621	3.8
77.52147	1.7
78.94310	1.5
79.05495	4.1
79.39678	1.6
81.03416	4.2
85.02906	6.9
91.05489	8.5
93.07060	2.3
95.04955	1.7
97.02880	4.2
102.14803	1.8
103.03961	1.6
103.05485	4.3
105.07039	3.6
106.06472	2.4
107.04963	18.7
107.08590	2.0
109.02888	3.2
109.06515	2.4
111.04445	2.3
113.72458	1.8
115.05435	2.0
117.07068	2.0
119.04955	11.2
121.02807	2.6
121.06499	6.4
123.04415	2.2
124.07674	1.5
127.03930	1.7
133.06490	2.1
135.08055	5.1
137.05975	15.4
139.03935	3.1
139.07600	2.0
146.07259	3.8
147.04370	4.8
147.08006	7.8
149.05975	8.2
149.09587	1.7
150.06799	2.1
151.03908	5.6
151.07587	8.3
152.07034	4.6
153.01810	15.4
153.05495	2.6
159.08147	2.0
160.50774	1.8
163.07542	25.1
165.05473	31.9
165.09100	3.0
167.07060	17.2
170.07985	2.4
175.07556	2.2
177.05533	10.5
177.09097	10.7
178.09889	100.0
179.07024	3.6
179.10622	12.4
183.06505	12.7
187.07469	9.9
191.07028	6.8
193.08589	6.2
197.08124	9.6
205.08606	16.7
209.08046	5.8
211.09653	3.3
218.05751	2.7
223.09657	17.6
231.10156	3.9
235.09721	4.5
244.07269	3.0
245.11589	2.3
247.09671	47.9
248.10272	1.8
258.08896	1.8
259.09616	6.6
273.11200	10.1
277.10727	44.7
287.12799	7.2
297.11172	2.7
299.12790	1.7
301.10730	21.8
313.10736	4.5
315.07123	4.4
315.12100	3.5
325.10669	7.3
325.14114	1.9
331.11716	21.0
343.11694	13.9
343.15558	6.0
361.12640	10.0
361.16574	13.9
379.13828	16.5
397.14957	7.2
558.25153	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	558.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	4.9
57.90489	4.3
67.13068	3.6
69.03416	10.7
70.89344	8.5
74.80191	3.5
76.12273	3.9
79.05508	4.5
81.03406	7.7
85.02892	21.6
91.05471	17.1
95.04938	6.4
97.02887	7.4
99.58026	4.0
103.05447	19.5
105.07036	18.9
107.04947	30.0
107.54430	4.2
113.78167	4.5
115.05466	4.5
119.04929	12.6
121.06484	9.9
122.03609	5.6
123.04417	9.0
125.82162	4.0
127.03927	10.3
129.06992	7.3
131.04921	28.8
131.08488	5.6
133.02859	13.0
133.06477	20.5
135.04453	4.6
135.08058	5.2
137.05974	100.0
138.06146	4.2
145.04964	5.4
145.06473	6.2
146.07205	4.6
147.04428	19.0
148.05145	5.6
149.05943	20.5
151.03882	9.6
151.07559	34.1
153.01817	15.9
161.05951	77.8
161.09560	19.5
162.06709	4.9
162.72618	4.2
163.07532	63.3
165.05499	9.8
165.09125	7.1
167.07028	12.5
174.06711	4.3
175.07503	10.3
177.05452	8.3
177.09055	4.5
179.07021	27.2
181.08563	14.6
189.05486	5.5
189.09108	43.4
191.07053	11.9
195.08130	5.0
201.08887	4.8
203.07091	4.2
207.10150	87.6
213.09175	5.0
215.06966	4.8
219.10136	9.9
225.11159	5.9
227.10725	4.6
241.08430	4.2
273.11191	8.4
275.09103	3.7
285.11310	4.4
287.12695	6.3
291.12286	8.9
308.11624	3.7
313.14316	12.7
315.07111	5.8
331.15359	26.8
343.15427	10.8
378.56335	4.3
401.15567	4.5
431.59372	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	558.254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	5.6
60.92155	5.2
69.03422	12.1
69.31869	37.3
81.14251	6.2
85.02918	20.6
89.66632	5.5
91.05492	21.6
96.43256	5.5
98.76864	5.7
103.05475	16.1
103.46828	5.2
105.07034	17.3
105.81866	5.9
107.04951	33.6
119.04941	22.5
127.03915	7.1
129.06970	7.1
131.04939	17.6
133.06488	12.6
135.08000	10.1
137.05960	100.0
147.04370	13.0
149.05992	17.6
151.07516	54.2
159.66658	6.2
161.05956	96.9
161.09628	14.1
162.06731	9.0
163.07545	63.9
165.05495	6.8
175.07474	6.3
177.09152	8.1
179.07028	13.8
181.08600	8.9
189.09111	55.5
191.07011	7.3
192.09229	6.4
193.08725	6.4
194.56113	6.1
207.10156	96.2
219.10150	12.6
223.07523	6.5
227.10696	8.6
255.10210	9.1
285.11401	7.3
287.12811	25.5
299.12662	6.2
313.14334	21.8
331.15308	40.4
343.15326	20.2
519.95233	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	558.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33199	2.0
67.05506	1.8
69.02019	5.5
69.02419	13.6
69.07063	3.0
71.04989	8.2
75.61347	2.0
79.05474	16.1
81.03423	2.6
83.05016	2.9
85.02897	4.4
86.94852	1.8
91.05488	23.1
93.07029	10.9
95.04982	4.2
97.02876	2.8
98.23367	3.0
103.05469	10.0
105.07031	17.5
107.04950	16.9
107.08598	18.7
109.02901	2.4
109.06543	2.6
115.05443	2.7
117.06990	4.5
119.04919	10.0
119.08620	3.8
121.06500	14.9
121.10138	6.7
123.04417	2.3
125.05994	2.4
129.07019	6.0
131.04938	7.0
131.08557	81.9
133.02856	2.3
133.06517	4.8
135.08072	2.9
135.11520	1.9
137.05972	34.6
145.10103	22.1
147.04436	7.7
147.08150	2.7
148.05171	3.0
149.06024	5.6
149.09613	29.9
151.03999	2.6
151.07529	24.7
153.01820	23.9
153.05443	3.8
157.06573	1.9
161.05968	44.3
161.09613	8.9
162.06721	3.6
163.07530	20.7
163.11208	8.9
165.09167	5.2
167.07085	5.7
167.10802	1.8
171.02789	3.6
173.09634	2.1
174.06787	2.4
175.07623	3.8
179.07053	2.4
181.05025	3.1
181.08617	6.1
189.09096	27.1
191.10675	24.3
195.08061	4.8
207.10158	48.5
209.11705	100.0
210.12109	3.0
219.10115	3.4
223.07440	1.9
227.10748	5.1
236.39110	1.9
253.08740	3.8
253.12108	2.8
255.10150	5.8
267.10153	2.0
285.11176	3.1
287.12735	15.2
297.06091	2.7
297.11163	2.6
311.12668	5.3
313.14270	14.6
315.07120	5.3
331.15356	30.1
331.19043	1.3
343.11716	3.7
343.15463	3.8
351.19986	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.7
54.28454	2.1
55.01880	3.6
67.05510	3.9
67.77904	2.1
69.03424	5.1
69.07070	3.2
69.28859	11.8
70.06582	4.0
71.04986	2.4
71.42021	2.0
74.06089	12.0
74.06421	2.2
79.05495	5.1
81.03426	7.3
81.07080	4.3
83.04997	3.2
85.02905	10.8
87.31669	2.0
91.05495	10.1
93.07056	8.8
95.04961	3.9
95.08622	2.9
97.02900	4.7
99.04421	3.4
103.05474	8.1
105.07050	5.8
107.04952	19.2
107.08595	4.8
109.02917	3.5
109.06535	2.8
111.04446	4.4
115.05463	3.1
116.07093	5.6
117.07028	5.6
119.04942	5.8
119.08569	4.9
121.06528	15.3
121.10174	3.9
123.04419	8.3
123.08012	2.3
125.05998	3.1
127.03952	4.7
131.04897	4.9
133.06496	2.4
135.04469	3.2
135.08069	6.8
137.06007	19.3
137.09689	3.9
139.03905	10.3
144.06560	5.0
145.04951	3.1
145.06442	4.2
145.07524	2.9
146.07291	5.4
147.04396	6.5
147.08066	8.3
149.05972	18.4
151.03860	5.3
151.07513	13.9
153.01862	6.0
153.05487	6.6
159.08031	4.3
161.06009	3.8
161.09608	4.4
162.06764	2.9
163.03909	3.2
163.07530	28.4
164.08295	4.5
165.05502	21.3
165.09122	8.3
167.07050	18.8
170.08148	3.0
177.05476	23.5
177.09119	6.5
178.09901	100.0
179.07002	3.5
179.10603	10.0
181.04953	3.2
183.06467	5.5
187.07574	9.3
191.07047	4.1
193.08615	8.0
195.10149	3.1
197.08128	4.4
205.08623	14.6
207.06642	2.9
207.10292	5.3
209.08118	8.0
223.09673	28.8
257.07724	2.4
275.01971	2.4
311.12991	2.1
325.07004	2.5
330.40143	2.3
342.20374	2.7
343.15369	7.9
361.16486	40.5
406.60052	2.7
558.30573	18.2
559.30249	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	558.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81852	0.5
54.16892	0.4
55.30315	0.4
62.59513	0.5
68.78801	0.4
70.66371	1.4
78.04684	1.7
79.05471	1.4
81.07076	0.9
85.02891	1.1
87.30556	0.5
91.05479	1.9
95.04974	1.2
103.05450	1.3
105.07012	1.3
106.04148	1.0
107.04937	2.0
109.06499	0.6
119.04908	1.5
121.06465	1.2
121.67837	0.5
122.03613	0.7
123.04436	4.6
124.05173	2.0
131.04874	1.3
133.06468	0.7
135.08023	0.7
137.05960	12.3
137.09708	0.5
138.06314	0.6
147.04411	0.5
149.05960	1.9
151.03914	3.5
151.07512	3.3
152.04575	1.5
153.01749	0.6
161.05937	1.3
163.07498	1.6
165.09175	0.6
167.07024	100.0
168.07339	2.7
178.05930	0.5
179.07018	0.9
181.08575	1.4
189.09082	0.8
193.08594	2.2
195.07986	0.8
203.10626	0.8
211.09665	5.4
281.76434	0.5
285.11124	0.8
287.12802	2.7
313.14258	0.6
351.15952	0.7
378.95642	0.5
475.21460	0.8
493.21979	0.7
558.20172	3.1
558.29340	3.7
559.17871	13.7
559.30902	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19077	3.6
67.50317	3.6
69.12782	6.3
69.13185	27.3
91.05478	7.1
96.68060	3.0
103.05462	5.7
105.07050	7.6
107.04963	6.0
117.06999	4.9
119.04881	3.5
119.24982	3.1
122.03654	5.8
131.04906	6.0
135.08072	3.8
137.05978	100.0
138.06302	3.5
145.06520	3.9
149.05949	3.4
151.03960	5.5
151.07492	7.9
153.01855	4.0
161.01357	3.4
161.05972	60.5
162.06348	4.3
163.07529	9.1
165.06981	5.8
166.07744	3.4
167.07082	4.8
167.27249	3.6
175.07549	15.2
176.62442	3.0
177.07037	3.0
177.09149	5.4
179.07111	7.4
182.07095	3.3
187.07567	25.8
191.07005	7.4
193.06519	5.5
194.07280	11.8
195.10210	6.9
197.60887	3.3
205.06696	4.2
205.08562	32.3
210.06842	5.3
210.14520	2.9
217.08640	26.9
219.08018	5.3
221.05980	16.5
222.06798	9.0
223.15208	3.1
225.09122	9.3
236.08252	4.3
237.09064	6.4
251.10622	6.5
252.07751	4.6
253.08665	8.4
264.07953	5.0
265.08612	44.0
267.10229	14.0
279.10223	16.6
285.11237	34.5
297.11243	39.2
298.04123	3.2
311.12677	42.6
312.13501	3.7
315.12234	68.9
315.15778	6.3
316.12698	7.1
323.12668	8.6
329.13882	10.1
341.13837	24.3
346.80963	3.2
359.14780	17.6
458.18124	3.4
558.29578	21.2
559.22321	5.3
559.30756	77.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50335	2.3
55.05493	4.2
58.07077	3.4
63.26491	2.9
67.05495	2.5
68.03195	2.8
69.25263	22.6
79.05479	3.5
82.09431	2.9
86.09674	3.0
91.05463	9.2
92.05833	3.3
94.04166	3.7
95.04963	3.8
103.05461	6.1
107.04919	5.9
107.08545	4.2
119.04965	4.1
121.06499	3.2
122.03643	5.8
123.04407	3.9
131.04932	6.3
131.08554	3.1
135.04439	2.7
135.08037	5.4
137.05977	89.0
137.09555	3.6
138.06252	3.7
145.10178	3.4
151.03891	4.5
151.07532	18.6
153.01871	3.7
159.07974	3.2
161.05928	4.6
162.76082	3.0
163.07510	15.9
165.09126	4.0
167.07022	78.5
175.07549	6.8
185.04193	2.8
189.09009	4.4
193.06435	3.2
195.08112	3.4
211.09581	6.1
227.10629	4.6
250.25183	3.0
253.08580	2.9
255.10185	7.0
285.11157	4.4
287.12860	13.9
319.08350	3.1
331.09995	7.7
351.15839	3.6
371.74191	2.9
475.21176	6.4
493.22269	9.5
558.19293	17.7
558.29510	21.2
559.17761	100.0
559.30646	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
64.00354	1.4
65.68668	1.7
69.10320	5.2
69.10739	8.1
72.11649	1.4
91.05471	2.3
94.04200	1.8
95.04982	1.4
107.04972	1.7
111.11702	2.9
117.16468	1.5
122.03655	2.1
125.05968	1.4
128.01041	1.4
129.12733	3.2
135.04353	1.9
137.05965	100.0
138.06351	2.6
141.90630	1.7
143.04901	2.9
149.06012	1.5
149.09534	1.9
151.03957	2.3
151.07538	4.5
153.05484	2.8
159.82228	1.4
160.05261	1.5
161.05949	7.3
165.06949	6.3
167.07129	2.5
175.07579	4.1
181.06497	1.7
182.07220	3.2
187.07512	3.2
191.08549	3.6
191.71793	1.5
193.06516	7.1
194.07198	1.8
197.09589	1.9
199.07600	1.6
207.08018	2.2
210.06699	7.7
216.53287	1.4
219.08002	3.9
221.06006	14.9
222.06641	1.5
224.08241	5.2
225.09068	9.0
227.07065	1.7
235.07466	3.5
236.08217	1.5
238.06274	1.9
239.10722	3.1
247.07446	3.0
251.10666	6.4
252.07776	4.1
253.08575	14.4
254.09314	1.7
255.06496	1.7
264.07932	2.0
265.08502	3.5
267.10199	13.7
270.08984	2.0
279.10144	19.7
280.10822	1.6
285.11176	45.5
286.11514	1.8
297.11142	6.0
299.12762	6.7
311.12741	42.6
312.12900	2.7
313.14310	1.7
325.89374	1.5
329.13751	19.5
558.29492	5.9
559.20667	3.4
559.30841	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.3
55.01870	5.8
55.05515	10.9
57.03460	3.0
65.03942	3.8
66.43786	3.0
67.05502	17.4
69.03434	11.0
69.07076	17.1
69.12398	29.4
71.04982	6.4
77.67567	2.7
79.05490	19.2
81.03423	19.1
81.07059	36.1
83.04969	17.7
83.08610	4.1
85.02901	14.2
85.06565	6.1
89.06022	3.9
91.05475	35.3
93.07043	40.4
93.07539	4.2
94.07355	2.7
95.04981	17.2
95.08593	31.1
95.09026	2.7
97.02895	7.1
97.06521	20.9
99.04462	22.6
105.07025	34.7
107.04951	7.7
107.08593	30.0
109.02869	23.0
109.06516	22.3
109.10157	9.5
110.89486	3.1
111.04476	3.3
111.08102	16.6
111.11729	9.0
117.03410	8.6
117.07072	5.2
119.08578	15.5
121.06510	40.7
121.10168	10.6
123.04454	6.5
123.08116	7.0
123.11697	5.7
125.05981	19.3
127.03934	22.7
127.07554	4.9
129.12755	4.4
131.08575	7.2
133.06500	6.8
133.10127	14.5
135.04442	5.4
135.08089	8.1
137.06003	12.3
137.09692	4.2
139.07550	13.8
143.07057	11.2
143.08574	8.1
145.02863	14.2
145.04935	6.1
145.10114	8.2
146.06001	46.0
147.06305	5.3
147.08051	5.5
147.11681	34.0
148.07547	4.8
149.09650	5.7
149.13242	3.9
151.07558	5.0
151.11203	5.5
157.08621	7.9
157.10156	11.1
159.06531	6.0
161.09544	4.0
161.13286	9.0
163.07603	3.5
163.11226	3.9
165.12794	10.7
167.07054	4.7
167.10733	4.0
169.12265	14.9
171.11708	11.7
173.09650	3.0
175.11200	24.8
177.05466	30.1
181.10245	3.8
187.06035	5.0
189.12790	17.7
193.12283	24.6
199.11157	21.7
207.13835	13.8
211.13286	16.1
217.12242	55.2
229.14255	16.0
235.13280	72.9
236.13672	3.4
253.14337	100.0
263.09146	14.2
271.15469	17.5
272.44739	3.4
289.16641	6.2
319.15482	3.3
343.15253	3.6
361.16406	5.1
379.17538	11.7
397.18530	17.5
415.19821	4.1
558.29706	89.9
559.21924	18.3
559.29291	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	558.312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.3
55.05506	7.0
57.03447	3.9
57.07075	12.3
59.04982	1.6
61.02929	4.2
67.01299	1.4
67.05513	1.8
69.03097	1.7
69.03433	12.1
69.07069	58.0
69.55814	3.1
69.56213	4.2
71.04996	6.1
71.08634	9.0
73.06544	11.4
75.04485	1.3
78.91183	1.2
79.05518	3.7
81.03432	5.1
81.07055	1.9
85.02905	53.1
85.10181	3.8
89.06030	32.5
91.03980	2.6
91.05494	2.8
93.07040	12.8
97.02895	13.5
99.04443	2.1
99.11744	1.4
105.07023	3.2
107.08617	2.3
109.02881	6.1
109.10160	3.4
111.08121	1.5
111.11721	80.9
112.12024	1.5
119.08569	2.0
121.10147	11.3
123.04439	1.5
127.03902	11.7
129.12758	100.0
130.13109	2.0
131.08661	1.3
145.04962	14.0
149.09677	6.8
163.06009	5.6
167.07056	2.9
167.10759	2.3
171.11781	1.2
181.08604	9.3
199.11125	1.5
199.16930	21.4
207.85674	1.3
211.30426	1.2
213.11237	2.1
217.17984	21.8
234.41466	1.1
311.14822	1.7
472.66785	1.4
558.29413	7.6
559.20868	1.7
559.30493	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	558.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.4
54.47605	0.7
55.01871	1.7
55.05507	8.7
57.03435	2.3
57.07074	12.3
59.05001	2.9
61.02922	4.5
67.45220	0.7
69.03111	1.1
69.03435	9.5
69.07067	58.0
69.50716	4.6
70.07383	1.3
70.23006	0.7
71.04986	5.5
71.08631	9.3
73.02919	1.1
73.06552	13.0
74.39834	0.6
78.61629	0.6
81.03432	4.7
81.07045	1.1
83.04989	1.2
83.08623	2.2
85.02904	52.1
85.10173	5.5
87.04471	1.4
89.06030	32.0
91.03973	1.7
93.07034	2.5
95.08609	0.9
97.02892	14.1
98.22659	1.5
99.04468	2.9
99.11719	0.8
107.08590	2.9
109.02849	5.1
111.11715	82.3
112.12045	2.6
115.03952	1.3
121.06480	0.9
121.10094	1.1
127.03920	11.9
129.12753	100.0
130.13081	2.2
135.11685	1.2
145.04953	16.7
163.06030	4.1
163.11215	1.0
167.07056	6.4
169.08540	1.4
181.08505	1.0
187.49925	0.8
199.16930	18.2
209.08069	2.6
217.17999	22.5
218.18257	0.9
353.15778	1.1
558.29688	6.0
559.29974	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
55.05501	7.1
57.07064	2.1
62.06086	100.0
63.79942	1.2
64.67189	1.1
67.05501	15.6
69.07058	13.0
69.44458	1.1
70.02946	2.6
71.08602	1.4
71.33521	1.2
79.05490	8.2
81.07049	20.8
82.74171	1.2
83.08629	6.1
88.03993	3.1
91.05468	10.1
93.07037	19.8
95.04993	2.1
95.08601	41.7
95.09210	2.5
97.10177	3.9
99.08056	1.9
105.07019	22.8
107.04961	1.1
107.08587	30.3
107.09250	2.4
109.10146	22.3
111.08071	1.1
117.07043	3.6
119.08577	42.4
121.10136	26.6
123.11674	7.2
125.09582	1.3
131.08571	13.3
133.10117	30.3
133.11133	1.5
134.10364	1.4
135.08020	1.8
135.11674	16.8
137.13251	3.5
143.08583	2.7
144.09248	1.6
145.10118	17.4
147.11667	21.3
149.09625	1.2
149.13255	9.2
157.10136	4.3
159.11688	15.7
161.13261	12.4
163.11235	1.4
163.14801	6.8
169.10040	1.2
171.11719	3.3
173.11801	1.9
173.13217	10.6
175.11182	3.8
175.14827	9.4
177.16380	7.8
185.13232	4.1
187.11160	7.1
187.14798	14.3
189.12778	1.8
189.16382	22.8
189.18007	2.0
191.14343	1.6
191.17940	24.3
191.19681	1.5
197.13257	1.5
199.14812	3.5
201.12811	3.2
201.16376	18.2
202.16707	1.3
203.17934	21.0
205.15872	3.9
205.19609	1.4
210.14917	3.2
213.16446	3.0
215.14325	1.6
215.17995	4.2
217.15916	1.6
217.19498	3.4
219.17366	5.7
227.17960	2.1
229.15976	2.3
229.19484	2.4
236.16315	1.5
239.17816	1.3
241.19501	4.1
248.16473	5.0
250.18027	3.4
255.20831	2.3
257.22675	1.6
262.17920	2.4
278.21310	3.7
278.74377	1.3
290.21109	18.1
292.22946	1.6
298.47281	1.4
344.25867	1.4
369.22614	2.0
383.24289	2.2
385.77054	1.5
391.33447	9.9
409.34534	6.1
419.33124	4.8
451.35724	5.5
480.38339	30.5
481.38437	2.6
540.40460	35.1
541.41077	2.8
553.44940	1.3
558.41504	51.4
559.42084	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	558.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64268	11.5
55.05506	24.6
57.07066	30.4
61.86061	12.6
67.05493	31.0
69.07056	28.0
69.45896	70.9
71.08631	30.3
75.22172	10.0
79.05473	24.6
81.03413	46.0
81.07037	49.3
83.08621	26.3
85.10199	13.7
86.82877	10.5
89.06039	14.7
91.05490	14.3
93.07068	21.8
95.04972	19.0
95.08611	52.4
97.06538	12.6
97.10143	14.2
98.23367	20.7
105.06982	16.5
109.10159	14.8
119.08554	11.4
126.70366	11.5
129.78661	11.2
131.08565	13.9
133.06505	10.4
135.11649	13.5
147.11714	13.0
175.11298	15.0
192.26151	13.0
193.12216	33.7
211.13184	67.1
256.26328	16.7
284.26572	19.9
285.17078	39.4
313.27222	69.7
429.29092	12.1
523.39972	97.7
540.44843	12.9
558.45563	19.0
558.53540	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.4364
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63623	10.5
55.05508	32.8
56.79667	13.1
57.07069	37.5
67.05510	56.4
69.07070	29.5
69.11252	22.0
69.11656	100.0
71.08634	21.0
79.05492	41.9
79.30675	10.1
81.03439	26.3
81.07080	54.4
83.08632	18.8
89.06014	18.2
91.05504	33.5
93.07048	27.9
95.08602	54.1
97.10155	14.7
105.07100	16.1
107.04735	11.0
107.08594	27.5
108.22296	12.7
109.10135	28.7
111.04380	11.9
111.08067	12.8
119.08552	22.0
121.10139	29.1
125.02074	12.5
131.08586	16.7
133.10095	18.4
135.11667	21.2
147.11662	20.4
165.45871	12.2
171.52611	11.1
193.12309	28.7
211.13330	47.1
235.42561	14.2
241.34767	12.4
285.16928	27.0
313.27362	57.8
336.54608	10.8
424.21677	13.2
466.18518	13.1
523.39758	43.2
540.44958	19.7
558.45477	39.1
558.53467	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	559.1438
Annotation	3,3',4,5'-Tetrahydroxystilbene 3'-O-beta-D-(6''-O-galloylglucopyranoside)
Peak:m/z	Relative Intensity
51.02378	0.9
53.03938	1.2
55.01869	0.6
57.03424	0.8
59.04971	0.3
68.99763	0.3
69.03426	2.7
69.10197	2.2
73.02929	0.2
79.01849	5.4
79.05493	0.5
81.03414	7.3
85.02894	2.9
97.02885	6.6
98.23376	0.4
99.04439	1.1
103.03930	0.8
107.01308	2.2
107.04952	4.9
107.08562	0.3
109.02876	4.2
111.04440	0.5
113.90983	0.3
115.03941	0.4
117.53513	0.2
123.04408	2.4
125.02335	3.3
127.03906	5.2
131.04944	0.7
131.08519	0.5
133.02934	0.3
135.04416	4.1
135.20811	0.3
136.05206	0.7
137.02309	0.3
137.06042	0.3
143.02299	0.2
143.03394	6.1
145.04967	1.1
147.04433	0.6
151.03856	0.3
153.01816	100.0
153.02864	4.4
154.02129	3.2
157.06526	0.3
159.04346	0.4
160.05165	0.3
161.05919	0.5
163.03906	0.4
171.02884	9.6
171.08092	0.4
175.07594	0.3
181.04953	0.4
181.06418	1.3
193.05000	0.3
195.02888	0.3
199.07547	1.7
209.06024	0.3
209.11780	0.4
210.12051	0.4
227.06978	0.4
245.08078	6.6
247.09645	0.4
251.07007	0.3
255.06773	0.7
257.08020	1.1
269.08084	0.7
277.10828	0.6
281.08057	0.6
285.06049	1.0
287.09094	1.1
297.06018	7.5
298.06165	0.4
311.09113	0.7
315.07095	2.8
316.07336	0.4
335.09021	1.3
335.12836	0.3
353.10168	1.0
379.13907	0.3
397.14700	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57049	0.5
57.07053	0.9
69.03407	1.8
70.65490	1.1
71.20050	0.5
79.01826	1.2
81.03402	1.3
82.26553	0.5
85.02909	4.3
91.05459	0.6
97.02877	1.1
105.07051	0.5
109.02876	1.0
113.76538	0.5
123.04451	1.1
127.03918	1.1
135.81346	0.5
137.05930	1.0
145.04930	0.6
145.10135	0.6
147.04413	0.8
149.05959	0.6
151.07599	0.8
153.01837	7.2
154.02209	2.4
161.05899	0.6
165.01839	0.5
165.05547	0.6
167.07127	0.6
171.02881	0.9
175.86731	0.6
177.05487	0.8
191.10641	0.5
194.09383	0.7
200.55783	0.5
205.04980	1.9
206.05792	1.0
207.10161	1.2
216.07632	0.7
217.04985	4.5
218.05736	3.0
219.02991	0.9
219.06479	4.8
220.07298	11.4
223.09668	1.2
229.05060	0.6
230.05701	1.2
231.06537	1.2
232.07275	1.4
235.06093	0.7
235.09689	3.5
241.04942	0.6
243.02872	0.9
243.06616	0.9
244.07413	0.8
247.06015	3.5
247.09654	49.2
248.06808	9.0
248.10342	8.0
249.07468	0.7
249.11108	0.8
257.08044	1.5
258.08945	2.7
259.06039	3.8
259.09644	10.6
260.06821	1.2
260.10049	0.7
261.04086	1.1
261.11212	7.9
271.06055	1.6
271.09674	1.7
272.06689	1.0
272.10223	0.7
273.07397	0.6
273.11224	3.3
275.09143	3.0
275.12762	0.6
277.10709	75.6
278.11008	3.5
285.11267	0.7
287.09314	1.5
287.12732	12.0
287.15948	0.8
289.10611	3.1
291.12378	1.2
301.10672	17.5
302.11020	1.4
307.11734	4.7
313.10727	1.7
315.07095	0.9
315.12274	6.2
316.07516	1.2
319.11874	1.8
325.10815	0.5
331.07755	0.6
331.11752	13.3
343.11719	8.2
361.12845	21.2
362.13159	1.5
379.13867	27.6
380.14246	1.6
397.14929	100.0
398.15250	6.3
559.20770	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87287	0.4
53.03922	0.5
55.01838	0.5
57.03398	1.1
61.02903	0.6
69.03391	1.8
71.31306	0.4
71.31738	0.5
71.85904	0.3
81.03362	1.4
81.07011	0.6
85.02906	4.6
90.90054	0.4
91.05482	0.5
97.02889	2.1
105.06996	0.5
109.02824	1.5
109.06527	0.5
119.04849	0.4
127.03877	0.8
127.07534	0.8
137.05948	0.6
149.02341	0.5
151.07445	0.6
152.44794	0.4
163.07550	0.5
164.07796	0.6
165.01886	0.6
167.07059	2.9
168.07310	0.8
178.09854	1.4
179.10138	0.7
191.06995	0.7
193.08606	0.7
201.05309	0.5
202.06136	1.2
203.10538	1.1
205.05145	0.6
205.08537	0.5
206.05722	0.7
206.08817	0.7
211.09616	0.8
215.06981	0.5
216.07730	1.2
217.04993	2.4
217.08438	0.5
218.05734	6.8
219.06464	2.7
219.10016	0.6
220.07127	1.0
229.04971	1.5
230.05804	2.7
231.10176	8.1
232.07216	0.7
232.10574	0.5
234.08929	0.7
235.09659	4.7
240.07756	0.6
242.05692	0.7
243.06505	3.8
244.07317	6.4
245.07874	0.7
245.11696	5.8
247.09650	100.0
248.06779	4.8
248.10197	7.8
256.07251	0.9
257.08038	1.1
258.08838	2.2
259.09644	9.4
259.13297	1.2
260.10196	0.5
261.11243	1.6
267.06470	0.8
268.07129	0.6
269.11685	1.5
271.06598	0.5
271.09616	1.8
272.10373	1.5
273.07715	1.8
273.11194	17.5
274.11511	0.6
275.09161	0.6
277.10703	87.8
278.11041	4.0
283.06073	0.6
284.06677	0.7
284.76840	0.5
285.11215	1.7
287.12741	12.3
288.13025	0.8
289.10760	0.7
290.21298	0.5
295.06021	0.9
296.06686	0.6
297.11258	3.9
299.09131	1.0
300.13007	0.8
301.10703	42.4
302.11017	2.6
313.07101	1.9
313.10632	10.2
314.07855	0.6
314.11191	0.9
315.12265	2.3
325.10651	10.4
326.10938	0.6
331.11758	27.4
332.12045	2.0
343.11758	20.0
344.12109	1.2
361.12772	17.1
362.13129	1.3
379.13858	25.5
380.14276	1.8
397.14926	7.4
398.15237	0.4
439.15860	0.8
463.15558	0.5
482.78500	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2148
Annotation	Roritoxin B
Peak:m/z	Relative Intensity
50.56093	0.3
52.26200	0.3
69.10564	3.1
77.59953	0.3
78.12376	0.3
78.16798	0.3
78.57285	0.4
81.07066	0.3
98.23293	0.8
105.07014	0.5
107.04914	0.7
122.42944	0.3
157.70786	0.3
163.07466	0.3
167.07039	0.5
181.08595	1.2
185.04152	1.0
187.03636	0.4
201.05214	49.6
202.05968	13.9
203.06773	1.7
203.08316	0.3
203.37860	0.4
213.08881	0.6
217.08316	0.5
219.06239	0.3
225.71071	0.3
279.15344	0.3
299.95737	0.3
305.86978	0.3
364.11224	20.0
365.11856	6.0
366.12082	0.3
381.12811	1.2
381.17068	0.6
396.15552	0.4
397.16135	3.9
535.31189	0.3
559.21448	100.0
560.21808	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	559.2151
Annotation	Physalin U
Peak:m/z	Relative Intensity
55.01871	1.1
55.05505	1.4
57.87055	0.5
66.00799	0.6
67.05499	4.8
69.01843	5.8
69.03426	1.0
69.07074	1.5
71.04993	0.9
78.80028	0.5
79.05484	3.2
79.43516	0.5
81.03431	1.4
81.07050	3.5
83.01101	2.3
83.04992	1.2
83.08607	1.6
83.54700	0.5
84.01881	0.5
85.02926	0.8
86.09703	0.7
91.05477	5.2
93.07044	3.4
95.01091	4.1
95.04970	1.9
95.08599	2.8
96.01366	0.5
96.01866	3.2
97.06520	1.1
97.10187	0.8
105.07005	3.0
107.04952	2.9
107.08604	2.3
109.06511	1.1
109.10180	1.5
111.00546	1.0
111.08079	0.9
112.01309	1.2
113.02121	5.6
117.06991	3.2
119.04912	3.1
119.08581	3.3
121.06490	1.5
121.10164	2.4
123.04409	0.6
123.08094	1.0
123.11750	0.6
123.65424	0.6
126.02880	1.0
127.11205	0.6
129.06995	0.8
131.08591	2.7
133.06485	0.9
133.10126	1.4
135.08020	0.7
135.11708	0.6
137.06015	1.1
137.09593	1.0
141.01610	0.6
143.08594	0.7
144.00305	0.5
145.10092	1.4
147.04396	1.1
147.08063	1.5
147.11700	1.5
149.09605	1.2
151.03821	0.6
151.07529	1.1
153.33177	0.6
157.04730	1.5
157.10152	1.2
159.11682	1.2
163.07559	2.1
165.12737	0.6
167.03180	1.3
167.07030	1.6
173.13260	0.9
177.09097	2.7
178.09877	4.2
179.07104	2.1
179.10602	0.6
185.04198	10.9
185.05885	0.7
189.11249	0.8
189.16353	0.5
193.12317	0.7
201.03647	7.4
201.05267	27.4
201.08830	2.6
201.16396	1.4
202.05974	6.3
203.05219	12.4
203.06865	2.5
204.86372	0.6
205.08934	0.8
211.13278	0.7
261.14859	0.7
275.20102	1.4
335.14944	0.8
349.14029	0.8
355.27347	0.5
379.14487	7.7
381.15170	0.8
383.91458	0.6
390.44696	0.6
514.55255	0.5
527.18964	0.8
541.35040	0.8
559.21417	100.0
560.21594	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	559.2149
Annotation	Roritoxin B
Peak:m/z	Relative Intensity
55.01858	0.3
55.05500	0.4
67.05511	0.3
69.51468	1.7
79.05495	1.1
79.28408	0.2
81.07054	0.7
83.08631	0.3
85.02865	0.3
91.05476	0.6
91.38886	0.2
93.07040	0.5
95.01107	1.0
95.04938	0.4
95.08603	0.7
96.01888	0.5
97.06568	0.4
98.57597	0.2
98.99512	0.2
99.74172	0.2
103.05492	0.8
105.07047	2.0
107.04916	0.4
107.20722	0.3
109.06551	0.4
109.10186	0.3
112.07638	0.4
113.02143	1.0
118.04134	1.6
119.08556	0.3
121.06499	0.4
121.10142	0.5
124.05225	0.8
126.74673	0.3
131.04948	0.6
133.06480	2.9
135.08046	0.8
137.05957	0.3
145.10161	0.3
149.05916	0.3
150.06781	1.0
151.07571	0.5
157.04700	0.3
161.05981	0.7
163.07518	0.5
165.09140	1.5
167.03130	0.3
171.04230	0.3
176.04420	1.3
185.04228	2.0
185.05763	0.9
186.06508	2.7
193.08607	5.1
193.10201	0.5
201.03639	2.7
201.05132	1.9
203.05284	0.7
203.06970	0.5
213.08844	0.3
216.07571	17.0
217.08284	3.7
223.18773	0.2
223.97118	0.3
365.11948	2.6
379.15363	1.2
397.16336	0.5
559.21460	100.0
560.21808	8.7
560.30096	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.5
58.67560	0.2
58.67863	0.2
67.05503	0.8
69.03406	0.3
69.07066	0.4
70.66960	0.2
71.04983	0.3
71.31750	0.4
79.05481	0.6
81.03430	0.4
81.07058	0.9
83.05005	0.3
83.08615	0.4
85.02876	0.6
91.05478	0.7
93.07044	0.5
95.01081	0.4
95.04964	0.3
95.08607	0.6
97.02670	0.7
98.22650	0.3
105.07027	0.9
107.08566	0.7
108.24443	0.2
109.10170	0.6
113.02163	0.4
117.00847	0.3
119.08570	0.7
121.06457	0.2
121.10132	0.2
123.04450	0.3
127.03779	0.3
129.07018	0.3
133.10052	0.6
137.05969	0.3
138.34352	0.3
141.05196	0.4
143.08640	0.3
145.10114	0.5
147.11632	0.5
152.49402	0.2
159.11757	0.3
161.02101	0.8
162.02890	0.7
163.07477	0.3
165.05597	0.3
169.04721	0.7
173.64186	0.2
185.04204	2.0
187.03679	0.4
187.07306	0.3
189.05299	0.5
199.07391	0.3
199.14801	0.3
201.05220	41.9
201.16293	0.2
202.05989	17.1
203.06686	1.0
231.06339	0.2
242.07869	0.3
245.09921	0.3
323.07315	1.0
324.07953	0.6
351.10461	0.5
364.11261	15.0
365.11984	5.9
379.21515	0.4
397.16208	6.5
559.21313	100.0
560.21667	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	559.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.1
52.87098	1.0
53.03960	6.7
55.01869	3.7
55.05511	14.4
57.03438	2.8
57.07072	2.5
61.06874	1.0
65.03949	2.1
67.05503	22.5
68.52917	1.3
68.99776	2.0
69.03426	5.9
69.07072	14.6
69.43921	5.8
71.05007	2.3
77.03933	1.4
79.05494	53.6
81.03421	2.6
81.07061	24.2
83.01360	1.1
83.04961	2.5
83.08628	8.0
85.06550	1.8
86.55812	0.9
91.05482	26.0
93.07044	83.1
95.04977	8.6
95.08606	13.4
97.02903	3.5
97.06535	6.9
97.10169	4.0
98.23386	2.0
99.08133	1.3
102.88598	1.1
103.05482	1.4
105.04536	2.8
105.07030	12.7
107.04976	3.7
107.08597	52.3
108.08923	1.5
109.06533	2.6
109.10194	6.8
111.04475	1.4
111.08086	3.3
117.07030	5.6
119.08566	11.2
121.06496	2.9
121.10139	16.8
123.08060	3.3
123.11725	3.0
125.02363	3.5
125.06020	1.7
125.09642	3.7
128.06226	1.9
129.07008	6.5
131.08583	10.5
133.06523	1.7
133.10133	14.0
135.08101	4.4
135.11693	100.0
136.12041	3.4
137.09639	7.6
139.11177	6.0
143.08557	5.4
145.06595	1.2
145.10127	4.8
147.08028	7.7
147.11707	4.0
149.00172	1.2
149.09628	4.9
149.13263	6.0
150.10396	1.3
151.11226	1.6
155.08624	1.3
157.06456	1.2
157.10100	2.7
158.07111	1.0
159.08017	2.8
159.11725	3.2
161.09639	2.3
161.13307	2.7
163.14827	1.8
165.09146	1.9
167.10736	3.0
171.02867	6.1
171.08067	4.4
171.11717	3.9
173.09679	1.4
173.13298	3.2
175.07628	3.7
175.11198	1.5
176.04465	1.2
177.09094	1.7
177.12714	2.4
183.08214	1.1
185.09656	1.5
185.13196	1.5
189.09059	1.4
189.12787	2.2
191.14340	2.1
193.08588	1.3
195.11823	1.1
195.13783	2.3
199.07558	1.3
201.05289	1.9
203.06921	2.9
205.12134	1.8
205.16002	1.3
209.15361	1.6
213.12762	10.1
215.14333	2.8
216.07558	13.5
217.08437	2.3
217.12334	2.0
217.19576	2.5
219.13863	1.5
221.11800	1.3
223.13318	3.6
231.13860	4.5
235.13368	3.7
235.20679	2.2
237.14871	13.7
241.12079	2.3
243.13884	3.3
249.14993	1.3
253.21753	2.3
259.13303	6.6
261.14850	3.5
267.60678	1.2
273.18549	5.7
277.14456	3.6
279.15921	2.6
287.12805	2.5
291.19550	25.3
291.22650	1.7
292.19955	1.2
297.18420	2.1
305.13892	8.3
323.15002	7.2
365.13638	1.6
374.47321	1.6
451.28714	1.8
453.30075	2.1
477.26364	2.0
479.27817	9.9
497.28650	4.3
505.26407	1.7
523.27081	1.4
532.91455	1.1
541.27814	3.2
554.01959	1.3
559.23004	39.3
559.36188	24.4
560.23309	4.2
560.36554	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.6
55.01875	5.2
55.05512	20.9
57.03439	3.1
57.07077	4.0
59.04990	1.8
65.03954	2.7
67.05506	34.4
68.99812	3.1
69.03445	5.0
69.07066	28.1
69.49495	9.4
71.04996	3.3
79.05492	49.0
79.05959	3.2
80.05855	1.6
81.03426	5.9
81.07059	34.5
81.07510	3.2
83.01328	2.3
83.04996	6.0
83.08627	9.7
85.06531	3.9
87.04464	3.5
91.05483	31.6
93.07049	69.4
94.07350	1.5
95.04971	9.3
95.08608	25.8
97.06531	9.0
97.10175	5.9
99.08099	1.6
105.04530	1.5
105.07027	21.8
107.04973	4.7
107.08596	59.6
109.06548	6.3
109.10159	19.2
111.04451	4.1
111.08091	4.2
111.11694	8.4
113.00447	1.7
116.06248	1.5
117.07029	6.4
118.04516	1.4
119.04916	1.3
119.08562	16.4
121.06499	6.6
121.10152	22.6
123.04440	4.3
123.08068	4.2
123.11726	6.6
125.02399	3.7
125.09640	2.6
129.07004	7.2
131.08572	16.6
133.06512	3.9
133.10136	21.7
133.11037	2.0
135.08070	6.4
135.11693	100.0
136.12032	3.5
137.06032	2.3
137.09544	7.5
139.03856	1.9
139.11169	14.0
143.08569	6.9
145.10146	7.5
147.08086	5.9
147.11720	6.1
149.09608	9.0
149.13284	6.7
150.10414	1.9
151.07597	2.4
151.11206	4.5
155.08543	2.0
156.09451	1.6
157.10156	4.9
159.08084	2.6
159.11688	5.5
161.09615	3.4
161.13260	4.6
163.11205	3.3
163.14813	3.5
165.12857	1.6
167.07031	1.7
167.10687	4.6
171.02881	7.0
171.08040	3.7
171.11719	4.7
173.09695	3.3
173.13290	5.5
175.07608	5.2
175.11180	2.3
175.14867	3.2
177.09111	3.4
177.12833	2.8
179.14326	4.2
183.10201	2.3
185.13292	4.7
187.11244	1.5
187.14861	2.2
189.09161	2.1
189.12730	3.2
191.14326	5.2
193.12277	1.6
195.13797	1.9
197.13255	2.0
199.14874	1.8
201.09218	1.5
201.12791	1.4
203.14334	2.8
209.13474	1.6
209.15421	4.3
213.12720	7.5
215.14359	3.2
217.08617	3.0
217.12201	2.9
217.19475	2.6
219.13696	1.5
223.11281	1.7
231.13844	6.0
233.15384	3.4
235.13254	2.8
235.20598	3.5
237.14845	37.1
241.12227	4.4
243.13895	4.5
253.21687	4.3
259.13245	8.0
261.14899	3.7
269.17419	1.9
273.18512	5.1
275.20074	2.9
277.14438	4.3
277.21555	1.8
279.16019	4.4
287.12805	2.8
291.19522	7.3
305.13895	4.3
307.15338	2.3
323.14853	1.6
469.40356	1.5
477.26382	1.8
479.27884	3.7
487.41437	1.7
495.27393	4.9
523.27112	6.7
527.37433	3.2
541.28394	6.7
541.35205	3.1
542.27942	1.8
559.36115	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	559.384
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31539	1.5
53.03936	4.2
53.09601	1.6
55.01870	6.6
55.05509	24.2
57.03427	6.2
57.07071	2.8
59.04990	1.8
64.81168	1.5
65.03928	2.7
67.05505	67.2
68.05865	1.9
69.03433	4.3
69.06711	2.5
69.07066	36.5
69.15293	16.1
71.01376	3.2
71.04994	11.7
79.05492	72.7
79.87097	1.6
81.03419	10.3
81.07057	90.4
83.04980	16.1
83.08623	12.6
85.06539	6.0
89.02377	2.3
91.05473	35.5
93.07043	85.8
95.04967	17.0
95.08609	70.6
95.09184	1.4
97.02875	2.4
97.06518	16.8
97.10197	7.9
99.04421	4.8
105.07029	29.4
107.04951	24.6
107.08600	45.9
109.06514	6.0
109.10165	21.7
111.04456	6.0
111.08099	4.3
111.11694	8.1
112.05445	1.7
115.05427	2.4
117.07018	12.9
119.08577	30.8
120.08968	2.0
121.06496	11.1
121.10143	100.0
122.10439	1.7
123.08060	6.0
123.11691	9.0
125.05985	5.9
125.09612	4.5
129.07018	9.2
131.08559	25.9
133.06480	2.4
133.10129	16.8
135.08067	6.2
135.11702	49.3
136.12001	1.8
137.09535	3.5
137.13240	4.5
139.07549	4.7
139.11165	28.2
143.08562	8.1
145.06419	2.4
145.10120	47.0
147.08058	4.9
147.11673	14.5
149.09618	14.2
149.13301	8.3
151.11154	3.1
151.14780	1.8
153.12756	2.6
155.08556	4.5
157.10091	5.0
159.11691	6.6
161.13248	7.1
163.11189	58.9
165.12737	3.2
167.10655	3.2
171.11729	4.0
173.09625	17.7
173.11867	2.3
173.13240	6.7
175.11247	3.2
175.14882	4.0
177.16483	1.9
179.14247	2.1
181.12282	13.1
183.11749	1.7
185.11711	9.5
187.14827	2.9
189.11192	2.1
191.10658	21.2
193.12230	5.6
195.13942	2.4
201.16333	1.8
209.11658	10.5
211.13313	3.4
219.13965	1.6
227.12766	93.6
228.13200	3.3
243.13797	1.9
243.20998	5.4
245.13828	83.4
259.20670	2.1
261.22113	17.8
267.15881	3.3
273.18365	2.0
275.19983	8.8
279.23169	52.8
279.26108	3.6
280.23465	2.2
291.19284	2.2
293.21185	3.0
297.24265	12.8
320.13452	1.7
349.23694	3.9
365.22772	2.2
373.85760	1.9
423.32336	2.1
433.31155	2.6
441.33740	2.9
451.32028	7.8
459.34598	6.2
469.33029	21.9
470.33585	2.5
487.34204	40.5
488.34445	2.9
505.35248	23.6
506.35104	3.8
523.36102	6.4
541.34967	7.7
559.28241	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	559.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	10.1
55.01858	6.3
55.05510	28.8
57.03435	13.3
57.07068	4.8
65.03930	6.0
67.05502	100.0
68.05847	2.7
69.03379	2.2
69.07067	25.2
71.04990	3.7
79.05491	97.1
80.05822	2.5
81.03426	8.9
81.07055	87.9
81.75735	1.9
81.94109	1.8
82.07388	3.3
83.04972	13.8
83.08615	16.8
85.06544	6.2
87.40584	1.8
91.05477	75.7
92.05810	2.5
93.07040	94.8
94.07400	2.3
95.04976	20.4
95.08601	62.6
97.06521	7.7
97.10168	9.0
105.04533	2.6
105.07026	56.7
105.07735	3.0
107.04941	9.7
107.08594	40.0
109.06512	7.4
109.10144	22.7
111.08064	3.6
111.84288	1.9
115.05468	1.9
117.07027	17.8
117.07765	2.8
119.08580	33.6
120.08909	2.0
121.06506	5.6
121.10138	22.2
123.08070	8.7
123.11718	8.3
128.06209	4.3
129.06993	20.4
131.08549	18.2
133.10124	23.0
135.11694	18.9
137.09673	3.4
141.06982	2.2
143.08562	9.3
145.10136	20.5
146.33516	1.9
147.11678	39.4
148.12045	3.5
149.13268	6.9
156.09253	2.0
157.10132	6.0
159.11697	12.4
161.09602	3.3
161.13269	16.0
163.14807	2.4
169.10146	3.4
171.11684	29.9
172.12143	2.4
173.13217	8.7
175.14870	2.4
179.14279	2.2
185.13232	3.7
187.11172	2.7
187.14822	2.6
189.12688	10.7
197.13362	1.8
199.14859	3.1
207.13789	29.9
209.15291	2.2
215.17947	2.2
224.74028	2.0
231.67087	2.1
243.21143	5.3
261.22144	13.1
262.22375	2.2
279.15939	4.6
281.17465	43.5
282.17581	3.1
300.39264	1.9
313.25327	2.8
335.25784	62.2
336.25989	2.4
449.34210	4.2
466.22351	1.9
467.35254	2.6
485.36075	3.1
523.19189	2.0
541.38800	65.1
542.39148	9.7
559.39111	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	560.216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30938	3.9
65.03934	4.6
71.34370	8.2
79.05502	5.5
81.03424	4.3
87.79723	3.5
90.43762	3.7
91.05470	17.3
93.03421	4.8
93.07042	6.5
95.04932	5.6
95.32336	4.3
96.50005	4.4
103.05454	7.6
105.07021	24.4
105.23254	4.1
106.04152	5.7
107.04978	4.9
118.04180	7.9
121.06493	17.4
123.04411	5.3
125.02361	4.9
125.06031	4.8
127.03960	6.6
131.04848	5.0
133.06462	20.3
135.04439	4.5
137.05949	17.0
149.06023	21.7
150.06728	14.1
152.08005	4.3
153.01828	67.2
153.03023	7.1
154.02179	20.4
156.63319	4.0
163.03827	4.4
165.09108	12.6
167.07042	17.1
169.08560	7.4
171.02905	6.4
172.03255	4.6
177.05528	20.2
181.08656	7.9
186.88254	3.9
192.07742	4.1
193.08617	58.2
197.07994	4.9
209.08072	61.4
211.09637	100.0
301.07803	4.8
341.33597	4.8
560.18280	9.1
560.38086	7.8
561.17151	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	560.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	0.3
64.61288	0.3
69.03419	0.5
71.05881	0.7
75.12798	0.3
78.04697	1.2
79.05473	0.4
81.03410	0.6
85.02894	0.9
91.05479	0.6
95.04943	0.6
97.02889	0.3
106.04129	0.6
108.42003	0.4
109.02901	0.3
111.04439	0.4
121.06509	0.9
123.04425	5.8
124.05232	1.7
127.03890	0.5
131.04897	0.9
135.04416	0.5
137.05977	1.0
139.03882	0.4
147.04439	0.3
149.05978	0.4
151.03928	0.9
151.29933	0.3
152.04643	1.2
153.05457	0.6
161.05946	0.4
162.07652	0.3
165.05540	0.5
165.06938	0.5
167.07030	100.0
168.07353	2.6
180.08685	0.5
181.06453	0.7
181.08612	1.0
184.57774	0.3
187.04008	0.4
191.07051	2.3
193.08560	0.7
197.92867	0.3
198.06703	0.5
203.03479	0.4
207.08055	0.4
209.08000	0.5
211.07463	0.4
213.09129	0.7
227.06937	0.3
241.08658	0.8
253.08562	0.4
255.10225	0.3
269.08136	0.5
271.06113	0.5
273.11176	0.4
284.10568	0.4
285.11188	0.8
287.05493	0.5
295.09500	0.5
299.05444	0.4
299.08716	0.4
301.10660	0.9
313.10623	2.9
314.11426	0.6
333.13248	3.5
334.13852	0.3
345.13339	12.7
346.13553	0.5
354.30927	0.3
363.03400	0.6
363.14398	1.5
409.08960	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.3
55.82507	0.3
56.78843	0.4
57.03434	0.8
62.87020	0.4
67.05486	0.5
69.03430	2.2
69.07069	1.7
69.30656	2.6
71.04986	0.7
72.14264	0.3
79.01855	3.2
79.05482	0.9
79.64260	0.4
81.03406	5.1
81.07050	1.6
85.02902	4.6
85.06544	1.1
91.05466	2.2
93.07037	2.2
95.04990	0.8
96.05256	0.4
97.02898	3.1
105.07023	2.3
107.01311	1.3
107.08578	1.2
109.02879	4.7
109.06512	1.9
113.09126	0.3
114.63081	0.4
119.08560	0.8
121.02878	0.8
121.10122	0.6
125.02340	2.8
127.03000	0.6
127.03906	7.6
131.08553	1.5
133.09157	0.8
133.10129	13.9
137.05974	1.6
139.03925	0.6
143.03391	4.2
145.05028	0.5
147.11679	3.2
149.09601	0.8
150.37076	0.4
151.07512	0.5
151.11165	10.6
153.01820	100.0
154.02184	2.4
155.07014	4.3
165.12761	0.5
167.06995	0.5
171.02872	9.9
175.11182	1.5
182.05020	0.4
193.12233	8.6
211.13287	38.8
212.13611	1.4
229.14346	9.3
266.10477	0.4
279.04968	0.7
297.06131	3.2
315.07086	17.3
316.07468	0.9
399.14105	0.9
405.77826	0.4
561.19366	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	560.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	7.2
55.05518	31.0
57.07097	9.3
59.30061	5.4
65.03936	8.5
67.05515	66.1
69.07078	31.6
69.68683	12.8
69.69096	21.9
71.04986	8.6
79.05486	55.7
81.03408	7.1
81.07061	100.0
83.08629	23.8
85.06577	10.5
91.05479	38.7
93.07053	63.9
95.04980	9.9
95.08621	66.3
97.06557	19.7
97.10213	15.6
105.07053	27.5
107.04947	7.5
107.08589	50.1
109.06525	13.4
109.10148	30.1
111.08064	6.8
117.07046	10.8
119.08583	25.6
121.10170	41.9
123.08041	8.4
123.11722	10.3
125.09613	15.4
131.08588	25.8
133.10123	34.3
135.08073	9.8
135.11691	28.2
136.12027	8.1
139.11172	10.0
145.10063	12.4
147.11681	18.6
149.09619	7.9
149.13277	17.2
151.11230	9.0
155.08725	6.3
159.11723	15.0
161.13326	15.2
163.14842	11.9
173.13284	13.8
175.11230	8.1
179.14449	6.2
199.11195	6.0
209.15317	6.5
213.16380	8.6
227.12787	8.8
227.91896	6.6
237.14917	7.7
243.21144	15.4
249.18484	23.5
251.20178	9.7
261.22177	34.0
269.21155	10.8
275.20053	11.3
277.21533	10.1
335.25784	11.5
353.26929	7.8
414.48029	6.5
505.05478	6.9
560.36499	10.8
561.24097	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	561.1941
Annotation	Diandraflavone
Peak:m/z	Relative Intensity
51.99682	0.3
70.83653	0.7
70.84015	0.3
81.03399	0.7
98.23289	0.3
110.23608	0.3
121.02896	1.0
123.04350	0.4
129.83018	0.3
132.78334	0.3
137.05965	0.6
141.05217	1.4
147.04234	0.4
153.01808	0.4
159.04211	0.3
160.01314	6.9
181.04897	1.4
185.04228	0.6
189.05299	0.4
204.07507	1.8
216.03986	0.7
219.06554	0.4
241.04797	0.6
250.99840	0.3
259.05899	0.8
277.06924	1.2
287.05237	1.4
305.06311	6.4
321.06085	0.7
323.07419	0.8
347.25781	0.3
363.10605	0.9
379.10138	0.9
560.37646	0.8
561.19366	100.0
562.19733	10.2
562.26654	0.2
562.39014	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3782
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.6
53.03944	5.7
53.04161	1.1
55.01868	14.0
55.05508	66.5
56.05835	0.9
57.03433	13.8
57.07082	5.7
57.26413	0.9
59.04985	3.9
63.18860	0.9
65.03931	4.7
67.05499	97.1
68.05825	1.1
69.03424	7.1
69.07064	28.6
71.01339	2.1
71.04985	8.0
71.08633	2.9
71.30924	0.9
74.43708	0.8
75.04451	0.9
77.03912	2.8
79.05486	74.5
80.05828	2.0
81.02962	1.4
81.03416	20.5
81.07051	100.0
82.07381	2.6
83.01335	2.6
83.04969	18.4
83.08613	34.3
85.02890	4.7
85.06537	4.9
91.05470	61.5
92.05796	1.1
93.07039	77.1
94.07336	1.8
95.04963	15.1
95.08599	61.7
97.02910	2.5
97.06528	9.1
97.10161	45.9
99.04427	2.5
99.08086	1.8
101.09680	1.2
103.05482	2.1
105.04498	1.8
105.07023	55.8
107.04949	9.7
107.08585	59.1
108.08900	1.6
109.06498	9.9
109.10146	33.8
111.04445	9.1
111.08077	8.3
111.11697	1.6
113.05999	2.5
113.09598	1.0
115.05451	3.1
116.06229	1.0
117.07003	28.4
119.06052	1.0
119.08573	46.8
121.06499	5.6
121.10137	34.0
123.08074	7.4
123.11697	13.8
125.08704	1.9
125.09622	39.2
126.09904	1.1
127.11189	1.4
128.06230	3.0
129.06985	15.3
130.07788	3.4
131.04953	1.1
131.08563	44.3
132.08876	1.4
133.06526	2.2
133.10118	32.7
134.10446	1.2
135.08032	9.5
135.11687	30.9
137.09604	3.8
137.13245	4.2
139.11209	1.8
141.06973	3.5
142.07774	2.1
143.08556	13.8
143.10516	1.2
145.06473	3.6
145.10109	40.6
146.10457	1.2
147.08014	5.9
147.11681	22.9
147.12881	1.3
149.09653	4.3
149.13258	13.3
151.11177	3.0
152.05058	1.0
153.09088	4.3
153.12715	11.3
154.07805	1.2
155.08501	6.1
157.10118	14.4
159.08080	3.0
159.11687	22.8
161.09647	2.7
161.13251	14.0
163.11165	24.2
163.14839	4.3
165.12762	1.3
167.08556	2.4
169.10085	8.3
171.08025	1.5
171.10268	1.8
171.11639	10.7
173.09612	5.8
173.11813	1.7
173.13229	19.7
175.11223	4.3
175.14804	7.7
177.12749	1.6
177.16357	1.0
179.14285	1.4
181.10098	2.4
181.12193	8.0
183.11668	6.1
183.13872	0.8
185.09647	1.5
185.13222	9.8
187.11241	2.0
187.14796	9.9
189.11223	28.7
189.12593	1.6
189.16403	1.4
191.10643	6.5
191.14317	1.9
193.10442	1.1
193.12206	5.7
195.11726	3.9
195.13597	1.3
197.13269	6.0
199.11212	1.6
199.14819	5.1
201.12680	1.9
201.16348	4.4
203.14392	1.4
203.17917	1.1
205.12131	1.2
205.15979	1.3
209.11630	8.4
209.13350	2.4
211.13092	5.6
211.14902	3.6
213.16412	3.4
215.17966	1.8
217.15961	1.2
221.15279	0.9
223.14861	2.0
223.16818	1.0
225.16469	2.9
227.12743	45.9
228.13147	1.7
235.14880	1.3
237.14691	1.0
239.14293	1.1
239.18065	1.8
241.15919	1.5
241.19563	3.5
243.21033	5.1
245.13766	5.9
247.17180	1.3
251.18152	1.1
255.21275	1.3
257.18991	1.8
259.20575	7.7
261.19006	1.6
261.22113	26.2
262.22479	1.5
267.15796	4.6
271.20657	1.5
271.24265	2.6
273.18732	1.6
273.22177	4.4
275.20090	2.0
277.21567	6.4
279.23187	4.5
281.22690	3.1
283.15344	28.0
283.20566	2.5
285.16907	3.2
289.21732	1.3
289.24945	1.1
297.19034	1.1
297.22226	3.4
299.20319	1.5
299.23651	28.0
300.24124	1.2
301.21561	6.0
315.23203	3.6
317.21213	1.9
317.24734	18.4
319.22604	1.7
324.22635	0.9
325.21677	1.6
329.24438	1.0
333.24429	5.8
335.25858	17.7
335.29608	1.5
336.26340	1.8
339.23215	2.3
355.26282	1.6
357.24246	2.0
373.27408	2.9
375.25204	1.8
405.31641	1.8
415.30197	2.2
423.32684	4.3
433.30917	9.6
441.33749	1.4
449.28537	1.1
451.32031	17.5
459.34756	1.9
463.31189	1.2
469.33011	17.8
470.33243	2.7
487.34131	13.9
499.33621	1.3
507.34973	1.2
515.37439	6.5
517.35107	1.8
525.35626	19.4
526.36011	1.6
533.38446	1.9
538.37549	1.2
543.36755	94.3
544.37140	12.8
556.38501	3.9
561.37854	54.7
562.38098	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	561.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	0.5
50.45137	0.4
51.02363	1.1
53.03946	4.2
54.24764	0.4
55.01866	2.2
55.05508	19.8
57.03431	2.7
57.07071	3.4
59.04991	1.2
61.02924	1.3
61.91776	0.4
65.03937	5.6
66.04705	0.6
67.05499	89.1
68.05838	1.1
69.03418	2.7
69.07064	16.2
70.02465	1.2
71.04987	55.0
71.08616	0.7
72.05325	0.9
73.06571	0.5
77.03920	1.7
79.05487	64.4
80.05830	0.7
81.03437	2.2
81.07050	100.0
82.07397	1.8
83.04977	11.7
83.08612	10.3
85.06533	6.8
87.04467	1.2
91.05472	63.3
92.05812	1.0
93.07038	67.6
94.07370	1.1
95.04964	8.0
95.05522	0.6
95.08598	35.8
96.08927	0.6
97.06524	9.2
97.10178	3.1
98.23256	0.4
99.08086	2.4
101.06023	0.9
103.03985	0.6
103.05457	0.8
105.04536	2.0
105.07023	34.4
106.07363	0.6
107.04951	1.1
107.08587	34.5
108.08920	0.4
109.06503	3.5
109.09409	0.9
109.10149	17.8
109.79964	0.4
111.08070	3.9
111.11717	0.6
113.06011	0.5
113.09676	0.6
115.05466	1.2
116.06210	0.5
117.07018	9.9
119.06085	0.8
119.08569	13.9
119.09412	0.8
121.06516	0.8
121.10133	25.2
122.10468	0.9
123.08050	2.0
123.11697	23.0
125.09647	1.5
129.07011	1.7
130.07790	0.6
131.07735	0.3
131.08554	13.7
133.10118	33.9
134.10501	0.6
135.08087	1.6
135.11681	16.5
137.09625	1.2
137.13281	0.5
143.08577	1.2
145.10094	6.2
147.11671	5.1
149.09561	0.8
149.13242	12.7
151.11171	14.9
152.11586	0.4
153.12732	0.7
157.10103	1.1
159.11678	11.7
159.12918	0.6
161.13278	4.0
162.13510	0.4
163.11139	0.5
163.14870	1.6
165.12790	1.5
167.14375	0.9
169.12260	1.3
171.11711	1.1
173.13199	3.1
175.14847	2.0
175.74751	0.4
177.12758	3.8
177.16391	0.4
179.14258	0.6
183.13788	18.5
183.15422	1.0
185.13261	0.9
185.75410	0.4
187.13281	2.8
187.14905	1.9
193.12257	0.4
195.13759	5.6
198.65099	0.4
201.14835	1.0
201.16463	0.7
203.14285	0.5
205.15901	0.5
207.13866	0.4
213.14902	1.1
223.61493	0.4
227.16422	1.5
235.16890	0.5
243.21083	1.3
253.18010	0.7
257.17578	1.2
259.20691	0.6
261.22150	4.4
269.17511	2.3
279.23297	0.6
283.18979	3.0
285.16885	4.2
317.24741	0.8
335.25748	1.4
349.27390	0.9
352.14435	0.4
361.27487	1.5
363.25290	3.4
417.25433	0.5
437.34073	0.6
485.36569	0.7
517.38855	21.4
518.39069	2.1
529.38745	5.8
530.39655	0.9
561.41516	50.0
562.41803	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	562.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.1
55.05497	0.8
57.03422	1.1
60.67923	0.5
61.02932	0.6
62.67636	0.6
66.02274	0.5
66.24077	0.6
67.05480	0.8
69.03428	4.2
70.06596	1.2
71.04987	1.8
71.32026	1.1
79.05477	2.0
81.03415	1.5
81.07054	1.2
82.06582	0.9
83.04980	2.2
85.02906	8.5
85.06494	0.7
86.09694	0.7
91.05473	4.1
93.07037	1.4
96.28506	0.6
97.02878	2.0
97.06522	0.7
99.04471	1.0
101.10249	0.6
103.05442	0.8
105.07020	8.3
107.04945	2.7
107.08584	3.3
108.08135	0.8
109.02886	1.1
109.06471	1.1
110.06028	2.5
111.04417	1.6
115.05424	1.2
116.06181	0.7
117.07010	2.3
119.04962	1.1
119.08585	8.7
120.08166	0.6
121.06499	1.6
121.10129	1.2
123.04448	3.3
123.08053	0.8
127.03928	2.7
129.05450	1.5
129.07002	2.0
130.07790	0.8
131.04936	0.8
131.08569	4.7
132.08060	1.5
133.06473	1.0
133.09163	1.3
133.10130	14.8
134.09650	8.3
135.08054	12.5
135.10405	2.4
136.07594	0.8
137.05957	1.3
139.03893	2.5
142.07687	0.8
143.08560	0.9
144.08183	0.7
144.09338	2.6
145.04984	1.5
145.08986	1.6
145.10100	10.3
146.09625	1.3
147.04405	1.3
147.06589	1.6
147.08018	0.9
148.11180	3.4
149.09598	3.3
150.09102	1.7
152.10709	1.2
157.10065	1.1
158.09578	0.8
159.10455	1.1
159.11670	8.0
160.07556	1.9
160.08783	0.7
160.11220	2.1
161.08336	2.3
161.09589	8.7
162.09113	1.3
163.11180	1.4
166.08627	1.1
167.07062	1.9
173.09785	0.8
174.09128	1.2
174.12735	1.2
175.11188	1.7
176.10719	2.2
177.11470	0.8
178.04968	1.1
178.08546	4.2
178.12260	1.9
187.11214	2.3
188.10677	1.0
194.11777	12.2
199.46840	0.7
202.12238	1.3
203.03441	0.8
203.12912	1.5
205.12152	1.0
206.04544	1.1
209.11667	0.8
217.08661	0.7
220.13321	10.8
231.25847	0.6
238.14372	100.0
239.14757	4.6
272.06152	0.7
287.05551	0.8
300.94992	0.7
328.08578	0.7
374.09479	0.8
381.16772	0.7
400.19940	3.8
563.21051	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37888	3.2
50.56958	3.0
53.03944	9.7
55.01872	22.5
55.05510	43.7
56.59792	3.3
57.03433	27.2
57.07077	5.4
61.02914	4.2
65.03953	5.2
65.72927	3.3
67.05157	6.9
67.05505	84.6
69.03421	14.1
69.07070	31.2
71.01352	4.4
71.04996	9.1
71.08634	3.7
71.19350	3.1
73.02916	6.3
79.05489	66.5
80.01278	3.0
81.03418	20.1
81.07054	71.6
81.07502	6.1
82.04208	11.1
82.07401	4.4
83.04977	27.4
83.08617	19.5
85.02905	6.5
85.06556	7.3
91.05479	67.5
93.07046	57.6
95.04973	29.9
95.08604	34.6
97.02911	4.9
97.06512	21.7
97.10171	23.4
98.07311	5.5
98.23352	6.1
99.04448	4.7
103.05431	3.7
105.07032	44.2
107.04961	13.2
107.08591	50.9
109.06536	8.8
109.10139	57.8
111.04471	5.3
111.08084	9.4
113.06055	3.4
116.04712	19.9
117.07018	9.3
119.08594	17.6
121.06518	7.9
121.10146	16.1
123.04352	3.9
123.08068	16.3
123.11723	10.7
125.09602	21.9
129.05464	41.7
129.07010	7.4
131.08551	19.8
133.06520	6.9
133.10129	65.3
135.04384	4.2
135.08034	6.9
135.11664	12.0
135.46664	3.3
137.05995	5.3
137.09628	9.5
139.11211	3.8
143.07079	14.4
143.08549	6.6
145.10101	17.8
147.11700	16.8
149.09644	13.4
151.04005	4.2
151.07576	7.1
151.11197	28.9
157.08606	18.3
157.10016	6.1
159.11717	6.4
161.09627	4.5
161.13252	5.7
163.11200	11.9
163.32619	3.6
167.07085	4.8
171.10234	4.9
171.11723	4.6
173.13324	3.7
185.13361	4.0
187.14799	5.3
189.11250	11.1
189.12914	3.3
191.10698	3.4
193.12305	9.5
199.13268	4.6
200.13927	6.1
208.16380	3.6
227.12756	17.3
253.14336	88.4
263.20139	4.6
267.15973	10.6
271.15347	19.3
273.18518	15.9
291.19455	20.4
301.16455	100.0
347.22000	5.9
347.26077	4.9
365.23212	55.9
395.27570	4.3
421.29407	6.4
527.28052	24.3
563.31537	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	562.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.4
53.74614	2.2
55.05511	16.1
57.03430	13.6
67.05499	28.6
69.03420	3.7
69.07066	4.8
71.04984	4.4
79.05486	29.6
81.03415	88.1
81.07050	26.4
83.04985	12.2
83.08613	20.0
85.02903	10.3
85.06522	3.0
91.05473	25.3
93.07024	15.4
95.04959	31.9
95.08594	12.8
97.10165	6.3
105.07005	18.3
107.04953	10.5
107.08586	11.6
107.16626	2.3
109.06536	4.0
109.10137	4.1
111.04456	4.6
111.08067	8.2
115.05360	3.0
119.07808	4.2
119.08574	17.7
121.06501	6.2
121.10128	12.0
123.08085	5.3
125.09664	7.0
129.06987	11.3
131.08557	15.6
133.06467	3.9
133.10126	10.7
137.05946	2.5
145.06436	4.6
147.08043	4.8
147.11711	12.5
149.09630	9.1
157.10097	16.3
158.58102	3.0
171.11784	2.9
175.11157	13.0
177.49721	2.7
189.11185	4.1
193.12247	34.9
211.13251	22.8
249.14857	4.1
267.15903	100.0
268.16086	3.0
283.15082	2.7
285.16953	17.4
302.12787	2.5
319.06683	2.8
349.21490	5.6
367.22665	14.6
385.23666	11.3
433.25635	9.8
459.27441	39.0
460.27493	4.6
477.28497	35.7
482.46432	2.8
562.21204	4.1
563.23102	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	562.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	21.6
57.07068	7.4
66.78346	4.2
67.05508	27.5
69.07069	31.5
71.04966	5.4
71.34133	7.2
79.05489	26.4
80.11655	5.0
81.07052	70.8
83.08625	14.2
91.05475	19.8
93.07027	56.5
95.04972	6.8
95.08600	79.1
97.06538	11.6
97.10171	6.4
104.10728	6.1
105.07015	59.2
107.08584	70.1
109.06534	9.1
109.10137	52.2
111.08089	6.2
115.05568	5.5
117.07026	11.2
119.08570	71.7
121.10135	72.9
123.08043	8.1
123.11690	60.0
125.09606	4.7
131.08557	22.3
133.10139	55.6
135.11682	60.5
137.13248	11.6
143.08575	10.5
145.10118	40.5
147.08022	7.0
147.11690	39.4
149.09660	5.5
149.13231	32.6
151.14911	5.8
155.08604	6.2
157.10132	22.1
159.11682	37.7
161.09697	4.6
161.13283	38.2
163.14850	19.0
169.10149	12.6
171.11700	21.3
173.13254	30.8
175.11189	7.1
175.14778	47.8
177.16394	10.3
183.11711	15.5
185.13252	14.8
187.14787	37.2
189.16400	21.9
191.17926	19.8
193.12285	5.0
193.15837	7.9
197.13301	9.9
199.14856	13.7
201.12674	5.3
201.16341	60.8
202.17065	5.6
203.14421	6.4
203.17928	35.2
211.14841	4.8
213.16414	9.5
215.18007	11.0
217.15982	9.1
219.17403	17.1
221.13383	5.2
221.15425	8.1
225.16328	11.5
227.17880	12.1
229.15926	24.9
237.16423	7.0
239.18057	23.8
241.19522	10.1
243.17509	8.6
244.48897	4.6
247.17064	5.0
251.17917	6.4
253.19554	9.3
255.17438	11.5
257.18896	4.9
265.19403	7.2
273.18362	6.2
285.18582	11.1
289.17957	25.3
305.22800	4.5
317.17676	7.6
375.30432	33.1
377.32010	13.0
379.30331	5.6
393.31549	49.2
394.91592	5.0
403.29971	15.8
411.32635	10.5
421.31039	100.0
422.31436	8.4
431.29306	6.4
439.32120	59.9
440.32394	11.6
441.29779	12.7
449.30609	23.2
453.33472	15.1
467.31433	85.6
468.31668	7.7
481.33011	12.1
485.32556	98.8
486.33157	6.5
527.33612	25.2
562.37311	23.8
563.36096	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	562.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.4
51.66149	0.9
53.00299	1.2
53.03943	7.1
55.01878	4.6
55.05509	24.9
56.05860	1.7
57.03433	6.1
57.07076	3.2
59.05004	1.1
61.02941	1.3
65.03948	3.8
67.05505	89.6
68.05843	9.2
69.03430	19.4
69.07069	20.1
69.17455	3.0
69.17876	5.5
70.07409	2.1
71.04994	43.4
71.08636	1.7
72.05309	5.1
72.15238	1.1
77.03920	1.4
79.05492	65.9
80.05833	9.0
81.03415	22.7
81.07056	100.0
82.07383	14.3
83.04984	11.0
83.08625	13.4
84.05298	1.3
84.08936	1.5
84.24499	1.0
85.02904	11.9
85.06541	5.8
87.04471	1.7
91.05479	63.6
92.05811	9.5
93.07044	69.8
94.07377	11.8
95.04977	8.7
95.08607	46.5
96.08945	6.6
97.02882	10.3
97.06551	7.1
97.10188	4.6
98.06889	1.4
99.04466	4.0
99.08124	3.4
101.06043	1.3
103.03928	1.7
103.05474	1.5
105.04586	1.3
105.07030	47.2
106.07374	7.0
107.04983	3.7
107.08592	41.5
108.04552	1.5
108.08925	6.5
109.02884	7.5
109.06513	4.5
109.10163	20.7
110.10538	2.9
111.04443	2.8
111.08100	3.0
113.09675	2.3
115.05453	1.8
117.07026	15.2
118.07368	1.9
119.08589	25.4
120.08930	2.0
121.06525	4.0
121.10133	28.5
121.10976	1.5
122.10490	6.4
123.04390	1.2
123.08103	4.3
123.11714	16.0
124.12038	5.0
125.09637	1.9
127.03932	8.2
128.06215	2.0
129.05476	1.5
129.07004	6.6
131.08568	23.1
132.08928	4.5
133.06509	1.7
133.10123	32.2
134.10461	9.7
135.08076	2.4
135.11696	19.0
136.12051	3.4
137.09633	2.5
137.13332	1.1
139.11176	1.5
141.07022	2.0
143.08548	6.3
145.05002	1.1
145.06520	1.6
145.10121	13.9
145.53743	1.1
146.10503	2.4
147.08109	1.5
147.11682	12.5
147.12715	1.4
148.12024	2.0
149.09648	1.7
149.13254	15.0
150.13620	3.5
151.07495	1.2
151.11163	9.4
151.14848	1.1
152.11549	3.8
155.08606	2.7
157.10173	6.2
158.10507	1.0
159.11705	16.9
160.12077	3.7
161.09610	1.5
161.13266	8.7
162.13620	1.9
163.11218	2.0
163.14891	3.2
165.12781	1.9
167.08559	1.0
169.10181	3.6
171.11687	5.0
172.12004	1.2
173.13289	8.1
174.13686	1.5
175.11174	2.2
175.14908	3.8
177.12793	3.3
177.16391	1.4
179.14435	1.2
181.08745	1.2
181.10239	1.6
183.12029	2.2
183.13864	10.5
184.14069	5.1
185.09683	1.2
185.13307	4.6
187.11172	1.5
187.13388	1.9
187.14906	5.1
188.15176	1.2
189.09271	1.2
189.12807	2.0
191.14293	1.5
193.12285	1.4
195.11835	1.7
195.13901	4.1
197.13313	1.7
199.11272	1.3
199.14832	2.4
201.12869	1.3
201.16501	1.2
207.13837	1.2
209.13380	1.5
211.14824	1.7
217.15918	1.5
221.15373	1.2
223.14989	1.3
227.14503	1.5
233.15353	1.4
235.13139	1.2
237.16629	1.4
241.19618	1.8
243.21156	3.0
259.20584	3.8
261.22192	9.7
262.22464	1.8
271.20514	1.5
273.22229	2.3
277.14667	1.2
277.21649	3.0
284.19589	1.2
285.22202	1.5
285.91003	1.0
286.17374	1.5
289.21561	2.7
291.23184	2.0
295.15530	1.0
297.22229	1.2
301.21710	2.0
303.23120	5.6
315.23282	3.0
317.24835	1.1
319.22629	1.3
327.23257	1.5
341.24969	3.5
351.23352	3.7
364.25775	1.7
369.24249	10.1
387.25394	10.1
388.25967	1.1
405.26566	6.1
423.27808	1.4
517.39465	1.5
518.39075	16.4
530.39398	7.7
562.41888	40.5
563.34448	1.6
563.42249	2.3
564.93597	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1546
Annotation	Epicatechin-(4beta->8)-epiafzelechin
Peak:m/z	Relative Intensity
53.03931	1.3
55.01869	2.6
65.03928	2.2
67.05471	0.7
68.99780	4.9
69.52831	1.0
69.53233	2.4
70.06583	0.6
77.03922	0.7
79.05479	1.4
81.03425	0.9
85.02908	0.7
91.05472	7.1
95.04951	3.7
98.22547	0.8
103.05441	0.8
103.96271	0.5
105.07028	1.5
107.04946	100.0
108.05285	2.3
109.02917	1.1
111.00775	2.7
111.04456	2.5
115.05460	1.4
119.04935	53.7
120.05299	1.3
121.02855	6.7
123.04420	27.5
124.04700	0.7
127.03912	4.0
129.07002	0.8
131.04886	1.3
131.08615	0.7
133.06471	7.2
135.04411	2.3
137.02283	1.4
137.05980	1.5
139.03889	34.1
140.04266	0.7
141.01793	0.7
141.07007	1.1
145.06480	10.5
147.04393	54.0
148.04755	1.7
149.02328	7.6
151.03879	12.6
151.05006	0.8
153.01865	1.3
153.06981	0.8
155.05988	0.6
157.06441	4.6
159.04448	0.7
159.08023	1.2
161.05969	5.9
163.03908	6.2
165.05450	6.0
165.06798	0.8
167.03398	17.0
167.04805	1.1
168.03714	0.9
169.06467	1.3
171.04370	11.2
171.08069	1.7
175.03889	3.4
177.05446	2.4
179.03397	10.5
181.06482	1.7
185.05992	4.4
187.03915	1.8
187.07542	3.5
189.05453	9.0
191.03395	14.0
192.03755	0.6
193.04941	3.4
197.05988	1.1
199.07559	2.6
201.05460	3.8
203.03372	8.7
203.07076	0.8
205.04924	2.2
207.06464	1.2
211.07515	0.6
213.05550	3.5
215.03371	1.8
215.07021	2.0
217.04985	1.3
225.05554	0.9
227.06963	4.7
229.04938	4.6
231.06514	23.2
232.06932	1.0
233.04445	5.7
239.07085	1.9
241.04941	1.0
243.06500	9.5
243.08759	1.1
245.04494	7.0
245.08086	4.7
251.05478	2.1
255.06499	16.4
256.06799	1.1
257.04425	9.2
257.08102	1.2
258.05042	1.1
259.06003	1.7
267.06491	6.5
269.04514	1.3
271.05963	1.3
273.07553	21.4
274.07819	1.6
275.05453	19.6
281.08109	0.9
285.07520	15.9
286.07776	0.9
287.05472	26.3
288.05649	0.9
289.36398	0.6
291.08575	11.3
299.05420	4.9
303.08691	2.2
311.05615	1.0
393.09604	17.3
394.09869	1.5
395.11276	3.2
405.09647	0.9
409.09058	5.8
411.10599	2.5
419.11050	0.9
421.09598	0.6
427.10141	1.9
439.10483	0.7
563.29218	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.8
59.71670	0.6
63.02372	1.0
69.09193	0.6
71.17986	0.9
71.18321	0.6
73.78091	0.6
79.05489	6.0
81.07059	1.1
81.80685	0.6
89.03906	18.4
91.05486	1.4
95.04947	1.7
103.05479	0.9
105.07039	0.6
107.04942	9.2
114.73419	0.5
115.05414	0.8
117.03369	16.4
119.05013	0.6
122.03637	0.7
123.04428	2.9
125.05961	0.8
131.04889	0.7
133.87810	0.6
135.04402	32.2
136.04674	0.8
137.02295	0.6
137.06023	0.9
141.07002	1.8
145.02834	19.0
145.03824	0.7
147.04350	0.8
149.05949	0.8
151.03976	0.6
152.04604	0.7
157.06488	1.4
158.07135	1.1
163.03888	100.0
164.04233	3.0
165.06979	0.8
166.06245	0.9
167.07040	8.7
169.06462	1.3
170.07281	3.0
173.06009	0.6
181.04868	0.6
181.08614	0.9
185.05942	0.6
186.06757	3.0
187.07503	1.3
189.07043	0.9
191.08531	1.2
192.09363	0.7
195.08113	0.6
198.06677	1.1
200.08258	1.4
201.09120	1.9
202.07744	1.1
203.08546	0.9
215.08690	0.8
216.07683	1.1
217.08562	1.1
218.07253	1.3
219.08163	3.0
219.10097	0.9
220.08832	1.7
221.05881	0.8
222.06627	0.6
229.08578	4.4
231.07997	2.6
231.10159	6.8
233.05972	1.4
233.09616	1.9
234.10249	1.2
235.07445	0.9
237.09027	1.4
245.09564	1.2
247.07585	5.3
248.08311	4.5
249.09013	1.4
251.07219	0.8
259.07562	1.8
260.08221	0.9
261.09103	2.0
262.09781	1.5
263.07043	1.0
263.10599	3.2
264.07776	1.2
265.08582	1.7
266.09000	0.6
275.06903	2.3
276.07745	4.0
277.05072	0.8
277.08542	2.8
278.05875	1.2
278.08936	0.7
279.10199	1.3
290.09286	2.9
291.10150	5.8
291.13440	0.7
291.14499	0.5
292.07288	3.2
292.10147	0.6
293.08020	4.7
294.08807	1.6
295.06177	1.2
303.06042	0.7
304.07321	0.8
305.07990	2.1
305.11411	0.8
306.08981	0.9
307.09573	4.2
308.10300	2.9
309.11084	1.0
310.08319	1.0
319.09576	3.4
320.10229	1.0
321.07501	2.1
321.10941	0.6
322.08557	1.0
322.11816	1.4
323.12601	3.6
325.10464	0.8
333.11374	0.8
335.08859	0.8
336.09937	2.2
337.10635	4.5
338.11093	0.9
350.11301	1.1
351.12216	7.6
352.13013	1.4
353.10156	5.2
368.12430	5.3
379.11832	0.8
383.14847	46.3
384.15216	3.7
401.15634	0.9
563.21326	1.9
563.35406	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	563.2097
Annotation	His Tyr Glu Asp
Peak:m/z	Relative Intensity
53.03938	0.3
58.02930	0.3
58.92474	0.3
68.99786	0.6
70.18776	0.3
70.48003	0.3
79.05493	0.3
83.01100	0.4
91.05485	0.5
95.01104	0.6
96.01864	0.3
103.05482	0.4
107.04959	3.0
111.00755	0.6
111.50276	0.3
113.02155	1.4
119.04952	1.2
122.03616	0.4
123.04398	1.6
127.03909	0.4
127.39083	0.3
131.04913	0.3
137.05969	1.2
137.22910	0.3
139.03908	2.1
140.31636	0.3
147.04378	1.5
151.03902	0.4
153.01768	0.6
159.04173	1.4
161.06046	0.5
161.86035	0.3
162.37437	0.3
163.03900	0.7
163.07550	1.3
167.03333	0.5
185.04230	2.0
185.05699	0.6
189.05438	0.8
191.03261	0.3
201.03586	0.7
202.06039	1.1
203.03473	0.5
203.05231	7.7
204.07600	2.6
205.08363	0.5
213.05467	0.4
231.06386	0.5
255.06610	0.4
273.07614	1.2
275.05634	0.4
285.07541	0.4
287.05508	0.8
321.67136	0.3
340.42508	0.3
351.10446	0.7
353.13641	0.9
358.57910	0.3
365.08261	0.6
365.12189	0.7
366.12875	0.8
383.14746	0.7
393.09589	0.4
401.15900	0.7
409.09247	0.4
410.30389	0.4
420.64557	0.3
464.36670	0.3
563.20990	100.0
564.21338	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	563.2257
Annotation	ES-242-8
Peak:m/z	Relative Intensity
67.05484	0.5
71.34309	1.0
91.05487	0.8
105.07054	0.7
105.56609	0.5
119.08550	0.4
123.04437	0.9
123.59238	0.5
133.10135	0.6
135.08177	0.5
137.05994	1.3
151.03891	0.6
153.01895	0.8
161.06018	0.6
167.07053	0.8
180.07799	0.6
189.05420	0.6
204.07545	2.5
207.06621	0.8
267.12012	0.6
309.10944	0.6
337.09082	0.7
351.08466	0.8
365.13571	0.7
441.88464	0.5
471.10797	0.8
475.21335	0.8
533.21405	0.7
563.22339	100.0
563.34454	5.6
564.22742	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	563.2673
Annotation	Protoporphyrin
Peak:m/z	Relative Intensity
55.01870	0.4
55.05525	0.8
57.03411	0.4
58.06595	0.8
61.87957	0.3
65.03944	0.4
69.03426	1.1
69.07082	0.7
70.05285	0.3
70.68760	0.8
71.05008	0.6
74.28709	0.3
79.05497	0.7
81.03432	0.5
81.07060	1.0
85.02907	1.3
85.06537	0.4
91.05490	0.8
93.07062	1.3
95.08641	0.8
97.02922	0.8
105.07048	1.2
107.08614	1.3
109.02937	0.7
109.10133	0.6
119.08605	1.1
121.06515	0.4
121.10188	0.6
123.11732	0.4
129.10330	0.4
131.08635	0.4
133.10124	0.6
134.53593	0.4
135.08136	0.4
135.11717	0.4
137.06006	0.9
137.09660	0.9
139.03880	0.5
145.10181	0.4
147.08026	0.5
147.95180	0.4
149.05978	0.4
151.03860	1.8
151.05043	0.4
151.07593	0.9
159.07971	0.4
162.93761	0.3
163.11261	0.5
165.09177	0.6
167.07065	0.6
175.07544	0.5
177.05460	0.4
178.04977	0.7
181.08533	0.4
185.04268	0.4
191.14406	0.4
193.08647	1.0
203.10732	0.7
205.10135	0.7
206.04568	1.2
209.15382	0.4
221.08066	2.5
236.15021	1.3
249.11407	0.4
283.16544	0.4
305.08487	0.8
313.16235	0.7
315.08627	1.7
347.09607	1.4
363.09146	0.8
365.10565	5.3
411.16516	1.4
475.21509	25.4
476.21933	1.5
563.26794	100.0
564.27112	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	563.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.4
55.05525	0.8
57.03411	0.4
58.06595	0.8
61.87957	0.3
65.03944	0.4
69.03426	1.1
69.07082	0.7
70.05285	0.3
70.68760	0.8
71.05008	0.6
74.28709	0.3
79.05497	0.7
81.03432	0.5
81.07060	1.0
85.02907	1.3
85.06537	0.4
91.05490	0.8
93.07062	1.3
95.08641	0.8
97.02922	0.8
105.07048	1.2
107.08614	1.3
109.02937	0.7
109.10133	0.6
119.08605	1.1
121.06515	0.4
121.10188	0.6
123.11732	0.4
129.10330	0.4
131.08635	0.4
133.10124	0.6
134.53593	0.4
135.08136	0.4
135.11717	0.4
137.06006	0.9
137.09660	0.9
139.03880	0.5
145.10181	0.4
147.08026	0.5
147.95180	0.4
149.05978	0.4
151.03860	1.8
151.05043	0.4
151.07593	0.9
159.07971	0.4
162.93761	0.3
163.11261	0.5
165.09177	0.6
167.07065	0.6
175.07544	0.5
177.05460	0.4
178.04977	0.7
181.08533	0.4
185.04268	0.4
191.14406	0.4
193.08647	1.0
203.10732	0.7
205.10135	0.7
206.04568	1.2
209.15382	0.4
221.08066	2.5
236.15021	1.3
249.11407	0.4
283.16544	0.4
305.08487	0.8
313.16235	0.7
315.08627	1.7
347.09607	1.4
363.09146	0.8
365.10565	5.3
411.16516	1.4
475.21509	25.4
476.21933	1.5
563.26794	100.0
564.27112	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	563.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.4
53.03938	3.2
55.05511	3.1
58.94803	0.8
59.15088	1.0
65.03909	1.0
67.05511	5.0
69.05974	1.6
69.06380	7.3
69.07069	2.5
71.04998	1.8
75.85806	0.8
79.05496	15.5
81.07057	4.8
83.08611	1.7
91.05477	11.3
93.07045	37.6
95.04979	3.3
95.08606	3.1
97.06541	1.2
105.04496	1.7
105.07023	4.5
107.08593	23.7
109.06531	1.1
109.10184	2.4
119.08610	2.2
121.06516	1.3
121.10168	3.5
125.09627	0.9
131.57919	0.9
133.10123	2.2
135.11694	11.3
137.09616	2.2
140.29659	1.0
145.10074	1.0
147.11716	0.9
149.09657	1.2
153.75743	1.1
161.13313	1.0
173.13246	1.2
177.12718	1.1
191.07031	2.6
191.14339	1.4
192.07787	1.4
205.08649	1.9
229.08694	1.4
257.11569	1.1
258.08844	1.9
270.12323	1.3
271.09857	1.1
271.13098	1.3
273.11215	1.5
281.11725	2.6
283.09634	2.9
289.14490	1.0
297.11212	6.0
297.14423	1.6
299.12869	3.3
311.12640	1.3
315.12247	6.4
317.13782	1.4
323.16367	1.4
325.14319	4.1
326.15094	1.3
327.15671	1.6
328.12936	1.7
329.13736	1.4
338.11267	1.2
341.17419	3.7
343.15472	3.7
353.13885	5.7
358.17892	1.0
359.18500	3.3
367.15097	1.2
368.16196	2.7
369.16922	3.2
371.14655	3.0
371.18607	3.7
383.22079	2.3
385.16257	1.7
387.18002	3.3
401.23236	3.2
411.21597	10.2
429.22729	100.0
430.22961	6.4
493.29398	5.1
563.41022	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15328	1.1
53.03952	6.5
55.01868	6.8
55.05513	35.5
57.03437	13.4
57.07062	3.1
59.05005	1.8
65.03939	3.6
67.05505	94.0
68.05825	1.0
69.03433	3.2
69.07070	24.5
71.04987	7.9
71.08640	1.7
71.31823	1.6
77.03927	1.3
79.05493	58.0
80.05836	1.5
81.02959	2.3
81.03420	35.3
81.07056	100.0
82.07390	2.0
83.04980	15.8
83.08622	26.8
85.02904	13.0
85.06544	5.8
91.05483	51.8
93.07043	61.8
94.07387	1.5
95.04966	18.5
95.08605	70.3
96.08915	2.1
97.02893	1.2
97.06532	8.1
97.10165	13.7
97.10655	1.2
99.08110	2.5
103.05467	1.3
105.04510	2.0
105.07032	40.3
107.04965	5.6
107.08595	36.8
109.06503	6.6
109.10161	35.0
111.04465	8.9
111.08074	10.4
113.06042	1.3
115.05466	2.5
117.07035	12.7
119.08588	32.4
120.08933	1.1
121.06535	3.9
121.10138	27.5
121.41412	1.2
123.08054	3.8
123.10861	1.8
123.11710	14.8
125.06030	1.0
125.09592	8.3
128.06219	2.3
129.07034	11.3
130.07826	1.4
131.08569	28.3
133.06494	3.0
133.10126	23.9
135.08076	3.1
135.11685	19.9
137.09612	3.7
137.13254	4.4
139.11157	2.1
141.07010	2.6
142.07828	2.7
143.08598	7.6
145.10126	20.7
147.08043	2.5
147.11685	21.7
148.50952	1.0
149.09602	6.9
149.13264	9.6
151.11192	3.0
153.12770	3.9
155.08594	3.6
157.10124	13.2
159.11670	14.1
161.09612	2.5
161.13281	8.9
163.11182	7.2
163.14822	4.9
165.09081	1.6
165.12776	3.3
169.10138	4.9
171.11647	6.8
173.11841	2.4
173.13287	8.8
175.11183	10.4
175.14867	4.4
177.12749	3.1
181.10269	1.2
181.12206	4.5
183.11678	3.3
185.13287	3.6
187.13359	1.9
187.14833	6.1
189.11238	5.6
189.16373	1.7
191.10696	3.0
193.12241	28.6
194.12663	1.9
195.11674	2.4
197.13283	3.2
199.14720	3.2
201.16530	2.2
202.59358	1.3
209.11577	1.1
211.13275	36.2
212.13719	2.1
213.16315	1.4
223.14897	1.9
225.16368	1.3
227.12769	6.7
229.14377	3.0
243.15804	1.4
243.21172	3.6
245.19081	1.2
249.18573	1.5
255.15829	1.5
259.20755	1.5
261.22147	23.5
267.15738	5.9
275.20099	1.7
277.21545	3.2
279.23184	4.4
283.15460	4.4
285.16940	15.9
285.22202	3.4
288.51190	1.1
289.21454	1.5
299.23907	1.8
301.25204	2.7
303.23187	4.6
305.21185	1.4
317.24921	5.7
327.23148	1.7
335.25775	31.2
336.26093	2.3
341.24872	1.6
360.14023	1.1
378.80655	1.4
384.94678	1.2
391.28418	1.5
417.31369	1.7
435.32880	6.0
453.33527	8.5
471.34714	5.5
487.33685	1.4
489.35504	2.5
527.37323	14.3
528.37518	2.8
545.38342	45.1
546.38617	5.8
563.39795	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	563.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.7
55.01876	8.4
55.05509	37.6
57.03443	15.9
57.07080	2.3
59.05002	2.3
60.19452	1.1
65.03939	5.5
67.05503	99.2
68.05824	1.6
69.03436	5.8
69.06712	1.9
69.07069	30.1
69.08988	10.5
71.04999	8.3
71.73488	0.9
79.05490	59.3
80.05851	1.3
81.03418	44.5
81.03901	2.2
81.07055	100.0
82.07388	2.0
83.04984	15.8
83.08615	31.2
85.02899	14.9
85.06550	5.7
86.89872	1.0
91.05055	1.0
91.05477	51.8
93.07042	61.6
94.07388	1.5
95.04967	21.2
95.08604	73.9
96.08932	2.5
97.02891	2.0
97.06510	9.1
97.10171	14.8
98.22610	2.2
99.04431	2.0
99.08093	2.5
101.58605	0.9
103.05466	1.7
105.04543	2.1
105.07028	43.8
106.07390	1.5
107.04989	6.0
107.08595	41.9
108.08908	1.5
109.06501	7.5
109.10152	37.8
110.06787	1.4
110.10469	0.9
110.83355	1.0
111.04456	7.9
111.08083	12.9
111.11788	1.4
113.05997	1.5
113.09653	1.7
115.05433	1.2
117.07016	15.3
119.08580	42.0
120.08868	1.3
121.06490	3.3
121.10144	35.4
122.10465	1.4
123.08078	5.4
123.11705	14.4
125.06001	1.6
125.09628	11.8
128.06316	1.1
129.07005	12.1
130.07780	1.3
131.08563	30.5
133.06517	2.1
133.09178	2.0
133.10127	25.6
135.08057	3.2
135.11684	21.2
136.11983	1.0
137.09630	2.8
137.13246	3.9
139.07538	1.5
139.11176	3.2
141.07002	2.6
142.07768	4.1
143.08559	8.4
145.10123	24.0
146.10515	1.3
147.08076	2.6
147.11679	24.6
148.12158	1.1
149.09610	7.5
149.13258	9.1
151.11237	1.7
153.09117	1.9
153.12743	5.2
155.08527	3.0
157.10139	16.6
159.11670	15.6
161.09550	1.8
161.13266	10.8
163.11185	7.5
163.14810	5.8
165.12801	4.4
167.08612	1.5
169.10158	4.9
171.11662	7.2
173.09602	1.8
173.11786	1.5
173.13232	12.6
175.11163	12.3
175.14810	5.0
177.12778	2.2
179.14265	1.7
181.10054	1.8
181.12241	3.9
183.11626	4.8
185.13246	5.5
187.13382	1.8
187.14809	7.0
189.11238	6.5
189.12741	1.7
189.16370	1.1
191.10690	3.2
191.14313	1.9
193.12224	42.4
194.12624	2.1
195.11691	1.8
197.13301	3.0
199.14864	3.7
201.16411	3.1
209.13321	2.8
211.13271	56.6
212.13695	2.8
213.16466	2.1
215.17986	1.6
221.13347	1.3
223.14853	1.5
223.16827	1.7
227.12746	10.3
229.14380	2.9
243.21031	3.6
247.16898	1.8
249.18567	2.7
259.20551	1.4
261.22134	23.0
263.20239	1.9
267.15854	5.9
273.21872	1.2
275.20139	1.6
277.21674	2.6
279.23285	5.9
283.15341	1.5
285.16949	24.1
285.22174	3.5
287.19992	1.3
299.23486	2.6
301.21851	1.8
301.25369	3.3
303.23279	7.7
304.23950	1.2
317.24631	6.8
327.23141	1.1
335.25797	27.0
336.26080	1.9
337.23749	2.0
341.24829	1.2
351.25366	2.0
359.25842	2.4
377.26996	1.4
381.27942	1.4
407.32999	1.3
417.31409	2.8
435.32477	8.1
444.60880	1.2
453.33624	12.3
454.33838	1.4
464.40802	1.1
471.34818	8.2
473.32471	2.3
489.35657	1.4
492.11041	1.2
527.37280	16.6
528.38043	3.4
545.38342	51.0
546.38477	4.1
563.39661	17.5
564.39313	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82104	0.6
52.67519	0.7
53.03941	2.8
55.01872	0.8
55.05510	2.3
56.05021	0.8
57.03439	2.0
59.04994	0.7
60.04524	4.9
61.02933	1.8
65.03944	0.7
67.05205	0.7
67.05508	4.1
68.80705	0.7
69.03432	8.2
69.07078	1.3
70.06593	1.7
71.04983	2.6
71.12537	1.2
73.02911	1.2
74.80787	0.8
79.05502	8.5
81.03436	4.2
81.05809	1.0
81.07053	4.3
82.06573	0.8
83.04971	1.7
83.08605	0.9
84.04510	1.0
84.90901	0.7
85.02909	14.1
86.06077	2.2
87.04437	0.8
91.05484	10.2
93.07050	17.2
94.06549	2.1
95.04971	4.1
95.08611	8.1
96.08123	1.1
97.02902	7.6
97.06542	1.1
98.06062	2.7
99.04421	1.4
103.05450	0.9
105.07040	28.5
106.07381	0.9
107.04951	1.1
107.08602	16.6
108.08132	2.5
109.02862	2.3
109.06532	2.5
109.10171	3.9
110.06050	1.4
111.08131	0.9
112.07603	3.6
115.05488	1.1
117.07023	6.4
119.08580	18.5
120.08108	1.9
121.06519	1.7
121.08848	2.5
121.10152	10.7
122.09669	1.5
123.08057	7.8
124.07591	11.0
127.03934	3.0
128.06223	0.9
129.06990	1.3
130.07809	4.1
131.07355	0.9
131.08574	4.1
132.08084	2.2
133.06514	0.8
133.10165	4.5
134.09676	2.2
135.11690	5.5
136.07553	1.2
137.02318	3.8
137.09622	1.4
138.09067	1.2
143.08612	3.9
144.08083	1.9
144.09224	0.8
144.49309	0.8
145.04984	3.2
145.08983	1.5
145.10121	17.2
145.11227	1.2
146.09601	5.1
147.08051	0.7
147.10493	0.9
147.11668	1.3
148.07515	1.0
148.11183	1.8
149.09634	5.7
150.09157	7.3
152.10667	0.9
154.08659	1.8
156.09337	1.4
157.08760	1.0
157.10110	0.9
158.09654	1.7
159.10413	1.8
159.11700	4.6
160.11209	4.6
161.11888	1.1
162.09180	2.0
162.12775	2.5
163.11185	6.4
164.10597	1.4
167.10692	15.2
171.10408	1.7
171.11707	2.3
172.11227	5.5
174.12740	5.1
176.10687	1.8
176.14331	1.0
178.12256	1.9
181.12189	5.5
186.12770	3.9
187.13568	3.9
190.12256	3.8
191.13042	0.8
192.13850	8.5
193.14580	1.4
204.08694	2.4
204.13821	8.4
205.14572	1.3
208.13330	25.8
209.13750	1.1
210.14919	2.1
222.14896	41.4
223.15363	3.7
224.16606	1.1
240.15952	100.0
241.16281	3.2
299.09714	0.9
351.48044	0.7
384.19693	2.0
389.12112	1.0
393.75177	0.7
402.21237	31.6
403.21552	1.1
415.10107	1.0
433.11179	5.7
565.18213	1.0
586.30377	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	564.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.2
54.63770	0.2
55.01870	1.9
55.05499	0.4
57.03437	2.4
59.05003	1.2
61.02926	4.3
65.03947	0.3
69.03429	9.5
69.07328	2.8
71.01333	0.4
71.04987	1.2
73.02901	1.5
75.74042	0.2
79.05487	2.4
81.03419	4.3
81.07041	0.7
83.01341	0.3
85.02904	46.2
86.03200	0.4
87.04465	0.8
88.14961	0.2
90.80909	0.3
91.03957	2.6
91.05473	0.8
93.07042	0.4
94.04139	0.3
95.04978	0.5
96.04458	0.3
97.02894	14.2
99.04459	2.3
103.05451	1.3
104.06242	1.6
105.07029	20.7
106.07382	0.4
107.04967	0.7
107.08588	0.4
109.02876	4.9
109.06523	0.6
109.10142	0.4
115.03920	0.8
121.06493	0.4
121.10150	0.5
122.03642	0.7
123.04376	0.4
127.03915	10.5
131.04982	1.4
131.05812	0.3
131.08670	0.3
132.05708	1.8
133.06488	32.9
134.06808	1.0
135.04410	0.8
137.05971	18.0
137.09584	0.5
138.06322	0.9
145.04959	15.2
145.10159	0.3
146.05327	0.4
147.07967	0.3
149.05949	0.7
149.09583	0.4
150.06757	39.8
151.07161	1.0
153.01830	0.9
163.06030	4.2
163.07370	0.5
165.09111	100.0
166.09450	3.3
167.07028	1.5
173.09668	0.4
177.09097	1.1
183.10063	0.4
191.10672	0.5
192.71622	0.2
193.04956	0.7
193.08731	0.3
194.05215	0.3
205.10501	0.2
205.12265	1.7
223.13289	25.0
224.13673	1.1
235.68835	0.3
244.85199	0.3
564.22797	0.5
564.31775	0.4
565.21747	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.265
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	0.5
53.03933	1.4
55.01859	1.5
55.98225	0.4
57.03424	2.5
59.04998	1.3
61.02683	0.4
61.02924	4.5
64.63154	0.4
67.79941	0.5
69.03428	9.2
69.07946	3.9
71.04981	1.7
73.02916	1.6
73.06544	0.5
78.23493	0.4
79.05486	2.1
81.03421	4.1
83.01306	0.6
85.02901	48.9
87.04474	0.8
91.03938	1.9
91.05476	1.0
92.55287	0.5
95.04955	0.5
97.02893	13.8
99.04455	2.1
103.05463	2.1
104.06242	2.0
105.07027	22.7
106.07310	0.4
107.04924	0.8
109.02872	4.8
109.06522	0.7
115.03893	0.9
115.05443	0.5
122.03657	0.6
124.05273	0.5
127.03908	11.0
131.04922	1.3
132.05690	1.4
133.06485	35.6
134.06836	1.2
135.04384	1.0
137.05968	19.0
138.06329	0.5
145.04951	16.8
146.05312	0.5
149.05940	0.5
149.92632	0.5
150.06752	42.7
151.07144	1.3
153.01816	0.9
163.06033	5.0
163.11162	0.7
165.09106	100.0
166.09421	2.8
167.07039	0.9
171.49191	0.5
177.09091	1.2
191.10745	0.4
205.12242	1.6
208.07010	0.4
220.87764	0.5
223.13281	26.8
224.13654	0.8
227.12744	0.6
283.89383	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	31.8
57.03441	21.6
65.03935	7.0
67.05507	76.1
69.03453	16.8
69.07070	39.9
71.05041	8.5
71.32856	9.7
71.68813	6.7
76.22968	6.6
79.05493	54.8
81.03423	26.5
81.07052	100.0
83.04989	20.1
83.08606	21.8
85.01643	7.7
85.02902	23.0
85.06537	12.4
91.05486	57.5
92.16011	8.3
93.07046	65.4
95.04986	26.7
95.08597	35.0
97.02885	17.0
97.06530	16.3
99.04436	9.0
102.79199	6.4
105.07027	49.3
107.04983	11.7
107.08587	58.2
109.02855	7.7
109.06518	9.3
109.10130	33.9
110.69641	6.3
111.08066	14.3
117.07018	23.3
119.08577	40.8
121.06512	12.1
121.10120	40.1
123.08076	10.3
123.11682	9.3
125.09652	9.4
127.03943	10.4
129.07063	7.9
131.08601	27.7
133.10121	35.0
135.08099	9.5
135.11687	40.5
137.05957	7.5
137.09610	13.2
143.08540	10.7
145.10159	15.9
147.08138	7.9
147.11667	31.7
149.05911	11.0
149.09665	15.0
149.13248	17.7
151.03957	24.9
151.07581	7.7
151.11218	9.7
154.05826	7.6
157.10193	13.0
159.11679	33.9
161.13292	10.6
163.11110	8.6
166.61526	7.2
167.06990	8.0
171.11705	14.1
173.13315	11.9
177.12752	27.9
179.14391	10.9
181.04913	9.2
191.03448	7.9
193.12236	7.5
195.13960	12.6
199.14870	8.4
221.06067	7.9
255.15825	39.8
269.17520	98.2
275.20209	19.1
337.56052	7.3
349.23694	30.0
367.24738	17.7
419.66638	7.3
511.28012	10.9
516.91754	7.9
564.27826	34.2
564.35693	10.0
565.27557	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	564.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12720	9.5
55.05499	22.5
57.03436	19.0
57.89546	7.9
61.02909	9.7
67.05506	92.4
69.03439	19.6
69.07057	35.3
69.80122	8.2
71.04990	19.2
73.02900	8.3
74.03104	7.6
79.05490	70.4
81.03416	35.5
81.07059	100.0
83.04984	17.8
83.08627	28.3
85.02903	32.6
87.04464	10.3
87.24275	9.2
91.05482	61.0
91.74371	9.4
93.07049	78.4
95.04965	23.5
95.08619	61.2
97.02898	22.0
97.06524	23.4
97.10157	9.7
98.22563	29.1
105.07046	58.1
107.04947	10.9
107.08583	59.2
109.02805	9.6
109.10168	38.6
111.04438	12.9
111.08100	16.0
117.07011	28.9
119.07816	8.2
119.08543	43.5
121.06498	12.3
121.10139	43.9
121.70644	8.9
123.08051	12.7
123.11713	14.1
125.09622	15.3
127.03860	13.7
131.08575	27.5
133.10133	38.5
135.11670	39.9
137.06023	13.5
137.09622	10.4
143.08485	14.2
145.04947	13.3
145.10126	30.9
147.11681	29.2
149.09602	17.0
149.13248	26.8
157.10152	11.6
159.11691	36.4
161.13277	11.3
173.13278	11.8
175.11162	8.8
175.14851	9.2
177.12766	28.8
195.13771	10.6
205.19565	11.3
235.14886	10.1
241.80585	9.6
255.15886	34.2
264.90051	8.4
269.17532	89.4
275.20038	26.0
349.23944	44.9
367.24704	18.0
564.22473	9.7
564.28052	16.0
565.28784	14.6
572.07428	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	564.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35541	0.4
57.01997	0.4
59.04978	0.4
62.08539	0.4
65.50624	0.4
70.70351	0.5
70.70690	0.9
73.02892	0.7
73.06554	1.7
87.04459	10.4
89.06023	100.0
90.06347	1.0
91.07599	0.8
107.07050	2.4
117.09120	1.1
130.08617	0.8
131.07034	3.3
131.46237	0.4
133.08591	63.7
134.08922	1.2
175.09702	2.0
177.11205	20.6
191.29233	0.4
206.38419	0.4
211.78224	0.5
219.12044	0.4
221.13835	4.6
239.14903	0.8
265.16418	1.2
283.17477	1.1
309.18954	0.8
327.19891	0.6
401.37451	0.5
459.27927	0.6
475.31488	2.0
503.30545	0.5
547.33258	4.6
564.19806	0.7
564.36139	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.4258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	9.8
55.05511	35.4
57.03445	19.5
57.07075	11.8
67.05506	100.0
69.07069	38.6
79.05488	66.1
81.03464	6.1
81.07056	99.7
82.07389	8.0
83.08620	18.7
85.06570	5.7
87.08727	4.3
89.75365	4.9
91.05476	40.8
93.07045	93.0
95.04990	7.9
95.08598	58.4
97.06555	12.3
97.10165	7.2
99.08084	4.5
102.39080	4.7
105.07021	30.4
107.08589	45.0
109.10149	23.2
111.08105	7.1
117.07026	8.8
118.62861	4.4
119.08572	22.0
120.99589	5.7
121.06550	6.7
121.10152	45.6
123.11703	10.1
126.10336	4.5
131.08568	10.1
133.10129	22.0
135.08066	9.0
135.11708	23.6
143.08528	6.3
145.10132	15.7
147.11688	9.8
148.77454	4.4
149.09706	10.2
149.13268	28.0
157.10179	9.8
159.11728	19.4
161.13287	6.8
163.11304	6.3
165.09123	38.4
170.10966	4.8
173.13364	4.7
177.12769	5.9
195.13795	11.2
197.94180	5.1
208.44955	5.4
221.15399	21.3
261.22125	12.8
269.17496	70.9
335.25809	58.6
385.28775	5.0
413.94446	5.4
427.35953	4.4
445.36768	20.7
529.38867	63.4
530.39288	8.3
564.39795	8.4
565.40302	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	564.4257
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.5
55.01851	3.9
55.05512	23.6
57.03432	16.7
57.07074	6.2
60.64335	5.1
63.98476	4.7
65.03934	6.3
67.05502	87.4
69.07068	27.1
71.04984	7.1
79.05490	62.9
80.89893	4.6
81.07056	100.0
83.08611	18.1
91.05469	38.7
93.07040	78.5
95.04986	10.7
95.08602	45.7
97.06524	10.8
98.23412	8.5
103.76250	4.3
105.07037	18.1
107.08584	45.6
109.10149	17.7
111.08073	8.9
117.07023	8.2
119.08552	9.4
121.10141	25.8
123.11710	5.7
131.08549	19.2
132.16754	4.0
133.10115	20.0
133.81575	4.4
135.11682	16.9
141.16600	4.6
145.10133	6.3
147.11652	7.3
149.13272	25.7
151.11143	4.8
159.11711	12.3
177.12779	10.7
195.13808	9.3
261.22079	7.7
269.17453	58.7
282.28085	5.7
297.17120	4.2
329.17462	6.0
335.25854	62.2
336.26041	5.7
430.23297	11.5
467.37277	5.4
468.91080	4.8
468.98624	5.6
480.23105	4.5
529.38745	69.5
530.38940	9.6
564.39941	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	565.134
Annotation	Theaflavin
Peak:m/z	Relative Intensity
55.01867	1.3
55.05516	0.6
65.03926	2.3
67.05490	1.5
68.99782	1.4
69.03428	0.8
71.34251	1.0
79.05481	1.0
79.87089	0.5
81.03384	0.8
81.07053	0.6
83.04981	1.2
91.05486	1.4
93.03406	0.9
95.04945	1.3
97.02864	0.7
103.05453	0.7
105.07027	1.0
107.04932	0.7
109.02917	0.6
111.04445	4.5
119.08639	0.6
123.04430	2.6
127.03888	3.3
128.06247	0.5
129.07031	0.6
131.04942	0.7
131.08492	0.7
137.05956	1.2
139.03899	100.0
140.04237	2.3
141.06967	0.7
145.06441	0.9
149.05922	0.5
151.03897	11.9
153.01836	1.9
153.05489	1.3
157.06517	0.5
159.08040	0.6
161.05954	0.8
163.03902	4.2
167.07040	1.7
169.06465	1.2
173.09557	0.5
177.05466	1.4
177.09183	0.5
181.04985	2.6
181.06451	0.9
185.05959	1.1
187.07536	1.1
189.05351	1.4
193.08606	0.7
197.05984	1.8
199.03911	1.1
201.05597	1.0
203.03172	1.0
203.07077	1.2
209.05928	1.3
213.05450	2.0
215.07050	1.4
217.04958	1.2
225.05478	1.4
227.06982	1.2
229.04944	1.7
231.06520	2.3
233.11765	0.7
237.05672	1.3
241.04933	0.7
243.06487	2.5
245.04475	1.3
249.23883	0.5
251.09265	1.0
253.04872	0.7
255.06494	1.7
259.06064	4.3
261.07764	0.5
265.05170	0.7
265.08850	0.5
271.05859	4.3
277.07114	2.0
282.08426	0.6
283.05981	1.4
289.07077	1.9
339.12289	0.6
379.08429	1.1
391.08191	1.6
397.09726	0.6
403.08023	1.1
409.09250	2.3
421.09052	0.7
427.10260	8.1
438.26279	0.6
565.12976	12.3
565.37488	1.1
566.13617	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.9
55.01839	1.1
55.05498	1.0
65.03915	1.1
65.21257	0.7
69.03412	1.4
71.32796	0.9
79.05488	3.8
81.03406	1.2
83.04989	3.1
85.02885	2.6
85.36347	0.8
91.05466	4.9
93.06969	1.3
95.04951	1.3
97.06525	1.1
103.05449	3.8
105.07024	13.1
106.04135	1.0
107.04930	2.5
108.05738	1.1
109.02882	0.7
109.06488	1.5
115.05428	1.1
117.07040	0.9
118.04155	3.9
119.04914	2.0
121.06470	3.0
123.04414	1.4
123.08058	1.4
124.05225	1.0
125.06024	0.7
127.03864	0.8
127.09330	0.7
131.04915	1.8
132.05621	0.8
133.05527	1.1
133.06476	13.4
135.04358	2.3
135.08061	1.6
137.02351	1.0
137.05963	3.8
147.04370	0.9
148.05243	1.0
149.05994	3.8
150.06725	7.8
151.03801	0.8
151.07587	3.1
152.07886	0.7
153.01825	1.4
161.05946	1.6
163.03923	1.7
163.07573	1.0
165.09105	8.8
167.07025	10.8
177.05412	3.9
178.06099	1.0
179.07022	1.7
181.08615	1.2
182.09303	0.8
189.05193	2.3
193.08594	33.6
194.08905	1.2
205.12245	1.1
206.12665	1.1
209.08075	1.9
211.09642	29.4
217.04704	1.3
218.60022	0.8
219.06297	6.5
229.05005	0.7
232.07054	41.4
233.07738	5.0
234.08606	100.0
235.09315	13.5
275.11337	1.1
303.04977	19.5
304.05280	1.0
323.05435	0.7
353.06528	1.4
377.27026	0.6
413.15582	9.0
443.16843	8.0
543.82202	0.8
565.17035	78.2
566.17194	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	565.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01586	0.6
51.02375	1.2
52.44629	0.7
53.03952	4.2
55.01859	1.8
61.73381	0.6
65.03934	4.7
67.05499	1.9
69.57632	2.1
69.58054	1.8
71.04973	0.7
75.04470	1.2
77.03938	1.7
78.04703	5.3
79.05495	4.3
81.03422	5.0
81.07056	0.9
82.04214	0.6
85.02882	1.5
87.23161	0.7
89.03913	2.3
91.05474	23.6
93.03393	1.3
93.07038	5.3
94.04166	1.3
95.04961	7.9
96.05760	0.8
97.06544	0.8
103.04820	1.3
103.05460	16.1
104.06296	0.9
105.03398	2.3
105.04496	2.0
105.07021	7.1
106.04169	2.4
107.04944	11.9
109.02880	1.1
109.06496	1.3
110.03635	1.5
111.04459	1.8
113.00659	0.7
115.05448	8.7
116.06239	0.7
117.03364	1.3
117.07024	6.6
118.04121	1.7
119.04949	4.8
119.08588	0.7
121.02789	0.7
121.06489	7.8
122.03641	2.9
123.04432	8.4
124.05240	3.2
125.06025	3.4
128.06245	1.6
129.07019	1.2
131.04930	8.6
131.08569	0.7
132.05676	1.3
133.02847	30.6
133.06471	5.9
134.03624	1.3
135.04408	2.6
136.05113	1.0
137.05968	16.2
138.03163	0.9
139.03871	1.0
139.07559	0.9
142.02641	0.8
143.04909	2.0
143.05989	0.7
144.05717	1.8
145.06468	7.9
146.07234	1.2
146.13248	0.7
147.04367	4.2
147.08060	2.1
148.05153	2.8
149.05994	7.9
151.03885	7.1
151.07538	12.0
152.04674	2.8
152.06148	1.5
153.05467	4.1
153.06924	0.7
154.06325	0.8
155.05988	1.6
155.07098	1.2
156.05730	0.8
157.06483	1.0
158.07285	0.9
159.04340	1.4
159.08043	0.9
160.05206	2.2
161.05983	10.3
162.06618	0.8
163.03925	1.2
163.07500	5.9
163.82617	0.6
165.05495	9.2
165.06880	0.8
167.07028	100.0
168.05907	0.7
168.07321	3.6
169.06395	1.0
171.04311	0.8
173.05975	7.3
173.09547	1.0
174.06688	1.5
175.07495	4.9
176.04691	1.1
176.08319	0.9
177.05460	2.4
177.09145	2.5
179.07021	2.3
179.08475	0.7
181.03438	1.4
181.04955	22.9
181.06424	1.8
181.08450	1.5
182.07190	0.8
183.04439	0.6
187.07530	2.3
188.08342	1.2
189.05482	1.5
189.09058	2.8
190.06213	1.5
191.07014	29.1
192.07574	1.3
193.06612	0.6
193.08572	2.8
194.07272	0.8
195.06499	0.7
195.08051	3.0
197.05919	1.6
198.06720	1.8
199.07608	0.9
201.09109	1.8
203.07007	5.3
205.06767	0.8
205.08612	3.4
207.06520	1.8
207.08275	0.7
207.10144	1.2
209.05972	1.1
209.07916	0.9
210.06662	1.2
211.07484	1.7
212.08354	1.4
213.09036	1.2
215.06946	1.2
217.08577	2.5
219.06360	1.3
219.08223	0.9
219.10190	0.7
221.05850	0.7
222.06567	1.1
223.07524	4.3
224.08315	1.0
225.09183	1.1
226.06157	1.5
227.07030	1.6
231.06387	1.2
231.08333	0.7
233.07977	3.7
233.11610	1.5
234.06688	0.8
234.12492	0.7
234.31136	0.8
235.07442	2.2
235.09637	5.2
237.09085	1.2
239.07014	0.8
240.07738	2.5
241.08559	5.1
242.09135	0.8
247.07587	0.8
248.08249	0.8
249.09166	1.2
250.06139	1.0
253.08524	0.9
254.09402	0.8
255.06317	0.8
255.10222	6.7
256.10870	1.9
257.07996	1.6
261.09128	1.7
262.09668	0.8
263.06989	2.0
264.07840	1.4
265.08475	0.9
267.10193	0.9
269.08023	1.6
277.08496	1.2
278.09210	1.2
279.10165	2.3
281.08124	0.8
283.09534	0.8
287.12701	6.7
289.08566	0.8
291.10153	1.5
293.08353	0.9
293.11636	1.7
294.08881	0.7
295.09662	1.3
298.08209	0.8
301.10596	1.5
307.09543	1.2
311.09158	1.1
312.13138	0.9
313.10593	1.5
315.12195	3.6
321.11310	1.6
322.11917	1.0
323.09134	1.4
323.12680	0.8
325.10568	1.5
327.12177	1.0
329.10175	15.0
330.10709	1.5
335.12738	0.8
337.10608	1.5
339.12250	1.5
343.11896	1.2
353.13766	2.2
355.11703	2.3
357.13205	1.4
370.14032	1.5
371.14709	1.4
381.13358	3.7
382.14066	0.9
383.14944	1.4
385.12680	5.3
397.12708	0.9
415.15286	0.7
505.18469	1.8
507.20615	0.9
535.19885	4.1
547.19769	1.0
565.20367	16.9
565.28827	0.8
565.36511	3.6
566.20642	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25149	1.0
51.72373	1.1
56.55569	0.9
58.70583	0.9
65.03940	1.1
65.80800	0.8
69.03403	1.5
69.19273	6.8
69.19689	1.4
73.49444	1.0
79.05466	2.1
85.02898	3.9
86.09716	1.9
91.05485	3.7
93.07040	1.2
95.04974	1.8
95.59012	1.0
96.34097	1.0
98.22617	2.3
103.05464	1.6
105.07015	6.0
107.04942	2.1
109.02840	1.3
115.05463	2.0
117.06998	2.8
119.76398	0.9
121.06519	1.2
125.00002	1.5
128.06238	1.3
129.07016	2.2
129.83719	1.0
130.07793	6.4
133.02840	1.9
136.64835	1.1
137.05977	3.6
142.07852	1.5
143.08554	19.0
145.08963	1.9
145.10121	40.6
149.05896	1.4
152.04518	1.2
153.06909	1.1
155.07188	1.9
155.08562	8.8
158.07262	34.8
159.08072	2.0
167.07030	10.9
168.07394	2.1
171.08101	1.7
173.09622	69.6
174.09953	2.0
181.04962	2.1
181.08601	4.0
183.09247	5.8
184.07370	3.1
186.06725	7.2
191.07016	1.7
195.10057	1.5
199.07268	1.3
201.09099	100.0
202.09457	2.9
218.09355	2.1
233.11726	89.1
234.12068	2.9
324.25891	1.0
387.17911	1.3
566.21136	2.0
567.28809	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.8
62.51955	0.6
67.05492	1.2
69.03416	1.7
79.05486	2.2
85.02888	5.4
91.05461	2.8
93.07072	1.1
95.08636	0.9
97.02875	1.2
103.05447	0.8
105.07008	4.0
107.04942	2.6
115.05439	1.9
117.07003	3.2
121.06536	1.3
121.32255	0.7
122.95944	0.6
124.99997	0.8
127.03915	0.9
128.06200	3.3
129.06982	2.2
130.07803	6.1
131.08580	1.5
137.05946	1.6
142.07701	0.8
143.08559	15.4
145.10115	34.0
146.10435	1.8
148.53340	0.7
153.06923	0.9
155.07193	1.3
155.08545	9.3
158.07263	32.6
159.07887	1.2
167.07022	8.8
171.08015	1.9
173.09619	65.9
174.09981	2.7
174.91373	0.7
181.08595	5.8
183.09233	4.6
184.07358	1.9
186.06764	6.6
189.09140	1.8
195.10103	1.1
201.09099	100.0
202.09422	4.5
212.37321	0.7
218.09302	1.9
233.11716	75.7
234.12050	3.2
234.89148	0.7
283.06210	0.8
386.81329	0.7
387.17908	1.1
392.82440	0.8
567.27673	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	566.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
53.17225	0.7
55.01890	1.0
55.05494	2.8
56.05029	1.0
57.03422	2.5
58.06591	0.9
61.02905	1.4
65.03922	0.9
67.05511	5.8
69.03422	5.6
69.07061	1.7
69.69559	3.8
70.06583	1.9
71.04987	1.7
73.02918	0.9
79.05485	3.5
81.03400	2.3
81.07055	11.0
82.06557	2.3
83.04951	1.2
83.08598	1.0
85.02904	18.1
85.06543	8.4
91.05464	4.0
93.07041	8.4
94.06564	3.1
95.04991	1.7
95.07285	1.0
95.08598	6.8
96.08130	10.9
97.02884	4.8
97.06531	1.0
99.04425	2.4
105.07027	7.6
107.08586	19.0
108.08143	5.0
109.02868	0.9
109.06519	4.5
109.10143	3.7
110.06021	2.0
110.09681	2.2
111.08073	3.5
112.07613	8.0
117.07030	0.9
119.08562	5.5
120.08101	2.5
121.10138	5.7
122.09658	3.8
123.08054	10.0
123.11691	4.6
124.11199	1.6
125.09624	9.6
127.03881	3.3
131.08521	0.9
132.08052	1.3
133.10138	1.5
134.09622	5.9
135.11684	2.8
136.11203	2.9
137.13313	1.4
138.09117	2.8
140.10704	1.9
145.04939	1.8
146.09584	1.4
147.11659	6.7
148.11211	2.2
149.09612	1.7
149.13235	4.4
150.09174	1.8
151.11249	0.9
153.12741	1.9
161.13220	2.3
164.10710	8.5
164.14308	2.5
165.12747	12.9
166.12260	3.4
168.10254	1.4
170.76959	0.9
176.14348	2.2
178.16006	1.3
179.12837	0.9
182.11830	1.3
182.15384	8.6
183.13878	1.6
188.14311	1.4
189.12846	0.8
194.15395	2.4
194.85187	0.9
200.16479	5.8
206.15450	6.0
207.13806	1.2
224.16440	21.8
226.17958	0.9
242.17503	100.0
243.17920	4.2
256.67902	0.8
265.64774	1.0
386.21762	10.5
390.12848	1.0
404.17975	1.6
404.22827	20.2
405.23047	1.6
434.11703	1.1
566.27448	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.5
55.84009	0.3
65.84898	0.3
67.05500	0.6
69.07057	2.7
69.15257	3.1
73.62889	0.3
79.05470	0.6
81.07055	0.5
86.09700	100.0
87.10044	1.2
91.05504	0.4
92.33219	0.3
93.07033	0.6
95.08583	0.7
96.15809	0.3
97.06547	0.4
98.09685	0.4
105.06979	0.5
107.04928	0.6
107.08608	0.8
109.10154	0.4
115.54868	0.3
119.08569	0.4
121.10128	0.7
135.11748	0.4
143.64803	0.4
154.15907	6.1
181.04890	0.6
195.10225	0.5
199.18040	31.9
200.18364	1.4
209.16455	0.4
227.17519	29.1
228.17886	1.0
267.24298	4.0
295.23743	4.4
318.55960	0.3
322.24884	0.8
323.23041	0.4
340.25922	28.4
341.26129	2.0
350.24451	0.4
368.25479	0.5
385.26688	0.4
408.32205	3.6
425.34851	7.2
426.34909	0.4
449.28546	0.4
453.34351	10.4
454.35052	0.9
481.33450	0.5
503.74295	0.3
521.40430	1.3
538.43207	0.9
543.27716	0.6
561.29150	0.5
566.31641	1.4
566.42999	0.7
567.31250	1.6
570.90118	0.4
587.28210	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34356	1.0
53.03938	2.4
54.17497	1.2
55.01868	2.5
55.05507	2.7
57.03449	1.8
65.03918	1.5
67.05500	1.6
69.03407	2.3
69.11031	11.9
71.04980	2.1
74.95818	1.1
74.97347	1.2
78.04713	1.6
79.05498	9.6
81.03418	26.4
81.07057	2.4
83.04988	3.4
85.02897	2.0
86.09702	1.2
91.05500	7.4
93.07068	2.1
95.04967	5.0
95.55784	1.3
100.11249	5.2
103.05466	4.0
105.04493	1.1
105.07043	4.8
107.04961	16.0
109.02874	2.0
109.06537	1.6
111.74982	1.2
114.09151	2.8
115.05451	9.2
117.07012	12.3
119.04929	1.9
119.08594	1.6
121.02864	2.3
121.06561	2.8
121.10096	1.8
123.04439	8.3
124.05216	2.9
128.06206	3.0
129.07007	5.7
131.04936	3.3
131.08549	7.8
131.78270	1.3
133.02811	1.5
133.06503	3.7
137.05992	7.2
140.04692	1.5
141.07001	2.6
142.08636	2.2
144.05713	4.9
145.06485	25.5
147.04416	3.3
147.08038	1.9
149.05989	2.0
151.03929	3.3
151.07545	2.4
152.04671	1.6
153.01846	3.3
153.05470	5.3
155.06033	4.8
155.07132	2.0
156.05663	7.4
157.06334	1.6
159.04454	1.3
159.08055	11.4
160.05276	2.0
161.05937	8.3
163.03899	1.4
163.07539	1.5
165.05460	2.4
167.07036	100.0
168.07480	1.3
169.06488	1.8
172.05244	1.5
173.05981	34.5
174.06650	2.0
175.03870	1.6
175.07593	4.0
177.05490	3.5
178.06273	2.5
179.03397	16.5
179.07022	3.5
180.03940	1.4
181.04958	5.4
181.06409	2.0
181.08612	2.6
182.15302	2.1
183.06529	2.4
183.15707	1.5
184.05229	2.8
184.07320	3.0
187.07538	12.9
189.05492	5.0
189.09161	2.6
190.06238	20.7
191.07066	8.0
193.08575	6.3
195.06644	2.8
201.09122	1.4
202.06267	3.8
203.07013	4.2
204.07806	3.1
205.08606	32.5
205.10457	2.5
206.07228	1.4
207.06560	3.7
207.10095	2.2
208.05238	2.8
209.08093	5.4
210.14946	2.3
211.07610	1.9
215.06990	1.8
217.06677	2.1
217.08626	25.6
218.07227	1.8
219.08038	4.1
219.10205	7.5
220.07253	9.4
226.06248	2.1
229.08662	1.9
231.08113	1.5
233.07857	1.4
235.07588	2.0
235.09666	12.4
239.07001	1.6
241.08501	4.0
241.10757	5.6
247.07507	3.2
247.09682	28.7
248.08243	2.8
249.09077	2.2
254.05809	2.4
255.06348	1.6
261.11322	2.1
263.06995	1.5
263.10608	2.5
264.07779	3.5
265.10687	4.6
267.06567	1.9
269.08102	7.6
271.06155	1.7
271.09637	3.7
275.06940	2.1
276.07803	1.9
279.12534	9.7
281.78461	1.3
282.05405	1.9
282.08902	3.5
286.08331	1.7
291.12720	7.8
293.08017	3.6
294.09042	1.6
296.10474	1.5
297.07678	1.4
299.05649	1.5
299.09161	3.7
301.10327	1.4
305.07996	2.0
307.09686	4.4
308.10205	1.8
309.13388	1.5
310.08398	1.8
311.12781	1.4
315.08575	23.2
316.09152	2.2
319.09680	3.4
321.07468	1.6
323.12817	5.0
325.10626	1.4
327.08383	1.5
328.09250	1.5
329.10153	9.8
330.10983	18.7
331.11465	2.0
336.09799	2.5
337.10699	4.0
339.12192	3.8
343.11771	5.4
351.12238	9.3
352.12689	1.6
353.10043	1.8
367.11407	2.4
368.12549	3.4
369.13171	2.9
371.15002	6.4
373.12793	3.3
376.78848	1.5
382.14078	1.6
383.14801	11.8
401.16003	6.7
403.13705	1.7
404.14624	17.1
405.15198	3.4
417.15598	2.2
425.15891	2.6
443.16940	2.5
445.18317	1.9
457.18622	9.4
471.66687	1.4
475.19742	12.0
478.18472	16.0
479.19080	1.7
491.19394	1.7
531.22296	5.9
532.22192	1.6
549.23584	6.5
549.41083	1.5
566.42621	2.1
567.17151	9.2
567.42932	3.2
568.18311	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2775
Annotation	Ghalakinoside
Peak:m/z	Relative Intensity
52.09555	0.4
52.24566	0.4
52.50841	0.4
52.92199	0.4
53.03943	0.7
55.05518	1.7
55.60831	0.4
67.05505	5.6
69.03435	1.3
69.07061	0.8
69.93865	0.5
70.26882	1.4
75.21069	0.4
78.76778	0.4
79.05511	2.1
81.03413	2.3
81.07055	4.2
83.01109	0.5
83.04986	0.8
83.08617	0.5
85.06540	0.6
91.05482	2.7
93.07058	2.5
95.04972	0.9
95.08622	1.7
97.02915	0.6
97.06551	0.5
97.10119	0.5
105.07023	1.0
107.04945	1.0
107.08618	1.7
109.02879	1.0
109.10175	2.9
111.04468	0.8
119.08592	1.1
121.06551	0.6
121.10145	1.1
127.03905	0.7
131.08568	0.9
133.10124	0.9
135.11685	0.8
137.06015	0.5
137.09566	0.6
139.53514	0.4
140.06996	0.5
140.73087	0.5
141.05531	0.7
143.08691	0.5
145.10167	0.8
147.11772	0.5
149.13216	1.0
151.03941	1.7
155.10712	0.5
159.11729	1.0
169.07443	0.6
173.11781	1.0
181.05037	1.1
182.08154	1.5
184.06258	0.5
185.04253	1.5
187.14801	0.6
195.13809	0.6
197.09593	0.6
201.03667	0.6
203.05269	2.5
203.06982	0.5
228.08691	1.0
230.10207	0.9
259.07788	2.2
331.09976	3.7
331.18912	0.7
339.17999	0.6
373.14920	1.0
387.16327	0.8
387.21130	1.0
405.22232	1.0
413.17987	0.7
455.18750	1.4
469.20624	7.2
486.29556	0.6
498.21045	0.9
504.29031	0.6
532.28973	1.1
549.26685	32.4
550.27417	2.7
567.27258	100.0
568.29321	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	567.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22149	0.5
55.01805	0.5
55.05502	1.0
57.03439	0.8
66.38186	0.5
67.05515	2.8
69.03425	0.8
69.07078	0.9
70.09268	0.8
70.09645	1.0
71.04984	0.6
79.05490	1.8
81.03419	1.7
81.07055	2.0
83.04981	1.0
83.08595	0.8
85.02893	1.3
90.76019	0.6
91.05482	3.2
93.07027	1.6
95.04954	1.5
95.08602	2.0
97.06544	0.9
98.08839	0.6
105.07025	1.9
107.08587	1.2
109.10162	1.2
110.44958	0.5
111.08038	0.8
119.08564	1.5
121.10162	1.3
131.08530	0.9
133.10143	1.4
137.05995	0.6
145.10118	0.7
147.11702	1.0
149.09608	0.8
151.03899	1.6
157.10127	0.6
175.11142	0.5
177.56525	0.7
182.26962	0.6
182.59465	0.5
185.04329	1.0
193.12260	0.8
203.05270	2.0
251.12489	1.2
252.57993	0.6
259.07870	1.6
283.15152	9.7
307.15399	0.6
331.09970	1.0
339.17862	5.4
405.22470	1.2
549.42456	0.6
567.28424	100.0
568.27521	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	567.314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.3
55.05515	0.8
57.03447	0.8
59.04985	0.3
67.01874	0.3
67.05502	2.2
69.07059	0.5
69.57011	1.8
71.05007	0.5
76.93135	0.3
79.05486	2.1
81.03437	2.6
81.07053	2.4
83.04980	0.6
83.08636	0.8
85.02938	1.4
85.06541	0.5
91.05486	2.7
93.07055	1.8
93.26572	0.3
95.04980	1.2
95.08619	1.3
97.06557	0.8
105.07034	1.7
107.04994	0.5
107.08607	0.9
109.06530	0.5
109.10179	1.2
111.08074	0.6
119.08582	1.7
121.10146	1.5
123.08108	0.4
127.44775	0.3
129.07001	0.5
131.08611	1.0
133.10173	1.2
135.11684	0.6
137.05994	0.9
143.08543	0.3
145.10126	0.5
145.53755	0.3
147.11728	0.9
149.09641	0.8
149.13348	0.4
151.03931	1.4
151.07567	0.5
157.10194	0.8
165.12843	0.4
167.07129	0.5
169.10141	0.4
175.11272	0.7
191.07103	0.6
192.57440	0.3
193.12337	0.7
251.12674	1.2
255.92856	0.3
283.15164	10.9
284.11646	0.3
284.15356	0.5
307.15186	1.5
339.17773	6.1
368.53564	0.3
567.31470	100.0
568.31848	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	567.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.9
57.07069	0.8
67.05508	5.1
68.99818	0.9
69.07055	6.0
79.05478	4.5
81.06579	1.0
81.07053	18.4
83.08612	1.5
87.04491	0.7
89.65495	0.8
91.05489	2.3
93.07034	9.3
93.81713	0.8
95.04996	1.0
95.08599	3.1
105.07032	2.2
107.08578	10.1
109.10148	11.1
113.06011	1.8
117.07009	0.9
119.08626	2.0
121.06487	5.8
121.10130	2.9
123.11698	1.4
133.10152	1.7
135.08061	2.3
135.11671	7.6
139.11099	0.9
144.12317	0.8
145.06490	1.5
145.10245	1.1
149.05989	3.2
149.09602	1.6
151.07564	1.0
161.09529	0.8
162.66185	0.8
163.07549	9.9
173.06024	2.1
177.05447	2.3
177.09138	2.4
178.06236	2.2
179.07042	1.1
184.91840	0.7
187.07642	1.0
191.05286	1.9
191.07024	33.1
192.07385	1.1
197.08107	2.2
205.08588	8.2
209.08086	33.2
209.15454	1.5
210.08418	1.5
215.07019	1.5
215.10808	1.0
217.08778	1.7
219.10231	1.2
223.09612	8.3
229.08606	3.5
229.12204	1.1
231.10202	2.3
233.08043	1.5
233.11729	2.6
235.29066	1.0
237.11217	1.7
237.14821	6.6
243.10187	1.3
245.11816	2.1
247.09680	3.4
249.11201	1.9
251.12782	3.7
255.10294	0.9
257.11743	9.2
261.14926	1.1
263.09680	0.9
263.12836	2.0
275.12799	13.2
296.10434	1.2
313.17978	10.4
331.19022	100.0
332.19437	6.1
366.14532	1.1
385.23734	3.5
409.20209	1.5
427.21167	3.6
435.21838	1.0
448.57504	0.8
491.45200	0.8
521.32703	0.9
536.38123	0.9
549.32104	34.3
549.40613	1.9
550.32404	3.8
567.33148	1.3
567.44098	1.1
586.83252	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.6
54.80391	0.7
57.07084	0.9
60.00194	0.8
67.05502	2.4
69.07066	1.8
71.04985	0.9
74.78559	0.8
79.05498	12.9
81.07058	100.0
82.07398	2.1
87.74905	0.8
91.05476	1.1
93.07034	4.3
95.04946	1.8
97.06522	2.3
105.07030	1.5
107.08598	2.7
109.10162	2.7
111.08112	1.4
113.06004	4.3
119.08576	0.9
121.06530	1.2
121.10151	2.5
123.11682	1.8
135.08093	1.8
135.11703	1.1
135.63026	1.1
139.11179	2.9
149.06012	1.1
149.09697	1.3
155.07126	1.1
159.94612	0.8
163.07553	2.9
177.05495	3.2
177.09181	1.6
178.06271	7.0
181.08611	2.1
191.07031	10.9
205.08621	4.2
205.12244	2.3
209.08118	3.7
217.20323	0.8
223.09656	5.2
229.27260	0.8
233.11728	20.9
237.14873	5.8
245.11766	0.9
251.10205	1.7
251.12802	30.5
252.13232	0.9
261.14929	1.1
284.52878	0.9
305.17239	1.1
313.17950	1.2
324.80753	0.8
331.19016	69.7
332.19354	5.4
441.22275	1.0
469.25839	15.0
470.26004	1.6
487.26822	1.9
549.32098	18.6
550.32019	1.8
567.33063	2.8
567.41547	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54930	0.6
52.17534	0.8
53.03947	0.7
55.01874	1.3
57.03427	1.3
57.35813	0.7
61.02927	1.3
64.35577	0.7
66.74138	0.6
69.03434	4.3
71.13364	0.7
79.05492	1.2
81.03423	2.2
81.07067	1.1
83.09245	0.6
84.74660	0.6
85.02911	12.5
85.47997	0.6
91.05455	1.9
93.07052	1.3
95.04971	1.3
97.02888	3.6
97.06516	0.6
97.98833	0.7
103.05473	1.7
105.07024	5.1
106.33358	0.7
107.04935	0.8
107.08567	1.3
109.02872	1.9
109.06519	1.4
109.10150	0.7
115.05463	1.6
117.03426	0.8
119.05019	0.7
122.03669	0.9
123.04434	2.1
123.08036	1.3
127.03916	1.6
130.04228	1.0
131.04939	3.5
131.08572	0.9
133.06499	2.9
137.05983	11.7
141.07048	0.8
146.03613	2.2
147.04370	2.1
149.05952	4.1
151.03885	1.0
151.07564	1.7
153.01849	1.6
159.04272	0.7
159.08090	0.8
161.05983	40.9
162.06718	4.4
163.03911	1.1
163.07494	4.5
165.06943	1.1
167.07074	2.9
167.08595	2.6
169.06522	1.6
175.03920	1.0
177.05525	1.4
177.06990	1.2
179.08569	1.9
181.05025	1.2
181.06514	1.9
182.07213	1.4
187.07550	10.6
190.07785	1.0
191.10753	0.7
194.07375	1.3
195.08125	4.1
195.09729	0.8
204.09532	0.7
205.06561	1.6
205.08572	2.0
205.10197	2.7
207.08153	1.0
208.07028	0.7
208.08849	1.2
209.11758	0.7
209.15408	1.6
210.06732	2.2
211.07683	0.8
215.08600	1.9
218.07294	2.3
219.08058	0.9
222.06766	1.3
223.07562	7.1
223.11192	1.4
225.08936	1.0
226.06250	0.9
227.12802	0.8
233.09619	5.3
235.07660	2.0
236.08444	1.3
237.09079	1.7
238.06233	1.9
250.06339	5.4
250.09769	0.8
251.07033	26.8
251.10675	4.3
252.07489	1.7
253.08693	1.7
261.09039	4.3
263.07065	0.8
264.07806	2.1
265.08527	1.5
269.11667	1.5
270.08835	1.8
278.09341	0.9
279.10193	13.6
283.09708	8.2
283.12936	1.1
285.11328	1.4
296.10471	0.7
297.11227	59.5
298.11639	3.6
311.12787	5.0
316.94138	0.8
324.12854	0.8
329.13837	100.0
330.14224	5.8
353.13681	0.8
381.82190	0.8
394.95792	1.0
464.59790	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.3
61.02906	0.4
61.71681	0.2
69.03421	0.7
69.78491	0.2
70.48905	0.8
78.83603	0.2
79.05484	0.5
81.07035	0.5
85.02894	1.4
91.05480	0.3
92.57647	0.2
97.02866	0.8
105.07008	1.1
107.04955	0.8
115.05437	0.9
119.08545	0.3
121.06527	0.3
127.03898	0.4
128.06213	2.1
129.06873	0.2
131.04939	0.5
131.54454	0.2
133.06482	7.0
134.06844	0.4
137.05968	0.4
142.07780	0.5
143.04909	0.3
143.08556	10.9
144.08876	0.3
145.04967	0.3
145.06473	0.9
145.10103	0.9
146.07254	0.9
147.04402	1.2
147.08026	0.8
157.10103	0.7
159.08020	0.3
160.08801	0.9
161.05981	2.2
161.09514	0.2
167.07001	1.9
171.08040	8.1
172.08392	0.5
173.05949	0.5
173.09567	0.5
174.06749	0.7
175.07533	0.8
175.11166	4.4
178.06332	1.4
180.08604	0.4
185.09552	0.3
188.08305	0.9
189.09122	0.3
189.28369	0.2
191.07037	0.6
192.07782	0.9
193.08604	1.4
203.10660	16.8
204.11073	0.8
205.08572	0.6
206.09361	1.0
207.10100	0.3
220.10909	1.2
221.11577	0.3
235.13274	100.0
236.13629	4.7
286.56000	0.2
353.27536	0.2
391.11453	0.6
397.18631	0.3
407.14011	0.3
413.73569	0.2
568.27777	0.5
569.19696	1.9
569.28296	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	2.6
55.05511	2.0
58.51397	1.5
61.02914	1.7
65.03947	4.6
67.05514	4.4
69.03428	4.9
69.07083	4.0
71.04974	1.5
79.05498	4.5
80.67328	1.7
81.03431	3.5
81.07061	5.5
85.02905	16.1
91.05492	10.1
93.03413	3.2
93.07035	5.4
93.25851	1.5
94.09704	1.5
95.04942	3.4
95.08611	2.1
97.02896	6.6
97.06496	1.8
97.86414	1.5
99.04434	1.8
103.05482	2.4
105.07014	14.8
107.04977	4.9
107.08591	3.2
109.02874	2.6
109.06518	3.1
109.10139	2.9
111.04470	7.5
115.05477	3.3
117.06981	4.3
119.04946	6.4
119.08629	3.2
121.06525	4.6
121.10118	1.9
122.03648	4.4
123.04475	3.1
123.08125	1.9
125.06010	8.4
127.03943	5.1
128.06215	3.4
131.08595	1.8
133.06488	9.4
133.10101	10.2
135.08154	2.5
136.05219	4.9
137.05969	80.8
138.06784	7.7
139.07613	2.2
143.08566	16.2
145.05000	5.3
145.06490	7.9
145.10178	3.3
147.04451	3.9
148.05164	4.1
149.09677	2.5
151.03912	38.1
151.05006	2.6
151.07542	27.2
153.01823	3.9
153.05458	13.9
154.06230	11.1
159.08086	2.9
161.05968	3.1
162.06802	5.0
163.07545	7.0
164.08405	3.6
165.05446	10.0
165.09114	15.0
166.06253	17.5
167.07051	9.1
169.05013	1.6
169.08627	21.5
171.08055	31.5
172.08632	1.8
173.06004	2.2
173.09612	2.0
177.09161	6.6
178.09895	5.8
179.07040	6.5
179.08527	1.6
179.10555	1.8
180.07874	7.1
181.05080	2.5
181.08594	81.4
182.08965	2.1
188.08325	19.2
189.09102	3.6
193.08629	4.8
194.09404	5.1
195.06528	6.6
195.10158	58.6
197.08087	14.8
201.09135	2.6
203.10672	100.0
204.11157	3.3
205.08707	2.2
209.11700	19.8
216.11409	10.4
217.08778	2.0
217.12123	3.5
221.11725	47.5
222.12036	3.0
225.11234	2.2
233.11664	1.8
235.13321	2.0
237.14902	3.2
247.13307	12.3
265.14362	33.0
266.14813	2.7
357.16757	3.6
371.18536	42.1
372.18655	2.3
389.19608	20.8
390.19983	2.5
566.99969	1.9
568.27930	5.2
569.28955	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	568.4205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.9
55.01873	21.4
55.05514	9.1
55.06943	1.8
57.03434	3.5
57.07064	13.2
58.06590	4.5
60.08162	2.2
60.52258	1.8
65.94474	2.1
67.05499	17.6
69.07067	10.9
69.50940	9.8
71.04979	7.5
71.08613	7.9
73.14799	1.9
74.02720	1.8
79.05497	18.0
81.07053	24.8
82.18477	1.8
83.04967	13.1
83.08606	8.8
85.10184	3.1
87.04454	3.0
91.05474	17.2
93.07037	22.9
95.04970	4.6
95.08607	25.8
97.06528	32.0
97.10165	3.7
105.07023	16.8
105.77952	1.9
107.04939	6.3
107.08583	10.0
109.06531	5.5
109.10161	10.1
111.04443	2.8
111.08056	4.4
113.05992	5.4
115.05400	1.8
117.07007	8.3
119.08595	8.7
121.06480	6.2
121.10126	9.1
123.07358	2.6
123.08081	23.4
125.05975	13.4
125.40676	1.9
129.07002	4.8
131.08574	24.1
133.06482	12.3
133.10081	10.1
134.50890	2.1
135.08049	28.7
135.11688	2.7
137.09662	2.1
139.07526	6.2
141.06993	3.5
142.07761	1.7
143.08583	4.1
144.05627	2.1
145.06448	1.9
145.10088	5.0
147.08035	8.6
147.11652	4.9
148.79298	1.9
149.09608	54.8
149.13380	2.3
153.06934	2.1
155.08524	5.8
157.10085	6.0
159.08037	8.5
159.11729	4.3
161.09601	7.2
165.09122	6.1
167.07097	3.2
169.10139	6.9
171.08093	3.9
171.11629	2.7
173.09586	5.1
175.07561	7.7
175.11221	10.2
177.09094	50.2
179.10638	2.9
179.14348	2.5
181.10078	3.5
183.11708	3.4
185.09641	3.8
187.07547	6.4
187.11171	41.0
188.70456	2.1
193.08562	3.6
195.10149	7.4
199.11053	2.5
201.09117	3.8
201.12668	2.4
210.07362	1.9
211.11136	5.3
213.09193	3.3
225.22131	3.8
227.10782	2.1
227.14015	2.1
229.12233	13.8
235.13176	2.6
236.14935	11.0
239.10629	2.3
247.13286	29.0
261.22116	5.8
263.14172	3.1
263.23688	4.4
281.15295	7.0
281.24750	3.1
299.16357	5.8
299.23450	2.3
315.26837	12.0
317.17429	2.7
333.27911	15.6
367.29926	4.7
385.31119	5.9
443.33215	4.9
461.33990	12.5
479.28677	3.3
479.35175	45.4
480.35538	5.1
497.36234	100.0
498.36319	9.5
515.37292	87.7
516.37659	11.5
533.38190	2.5
550.40704	6.1
568.42273	16.1
568.56592	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	568.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67393	0.4
55.05468	1.8
55.05706	0.5
56.91376	0.4
57.03432	7.0
57.07055	0.7
58.06598	26.1
58.44094	0.4
59.07379	8.1
59.39907	0.4
60.08162	8.6
65.65638	0.4
66.86530	0.4
67.05511	2.5
67.05790	0.7
69.07068	2.0
69.32510	2.1
71.08615	0.7
73.02880	1.2
75.04482	3.9
79.05441	1.7
81.07069	2.9
83.04960	0.6
83.08591	1.2
84.08143	3.9
85.02915	2.3
85.06514	0.6
86.09657	0.8
87.04468	5.0
91.05468	0.7
93.05437	0.6
93.07027	2.0
95.04947	0.6
95.08591	3.8
97.06487	1.0
103.03928	0.7
105.05471	1.2
105.06996	0.8
107.08612	2.5
109.06463	1.7
109.10110	1.3
113.05961	0.7
119.08531	0.7
121.10136	2.2
123.08062	6.4
123.11757	0.4
125.09590	0.6
131.07016	2.7
131.08508	0.6
133.10109	1.0
135.07979	0.6
135.11632	1.2
137.09633	0.8
144.10187	7.6
145.10118	0.6
149.09610	0.4
150.28960	0.4
162.11246	4.5
179.14320	6.5
180.14650	0.6
182.23581	0.5
200.12801	0.9
236.14911	100.0
237.15218	3.5
252.60457	0.4
259.20526	0.5
277.21585	1.5
284.29626	0.5
287.11798	0.4
301.14221	0.6
333.27850	6.7
394.62671	0.4
428.55008	0.4
481.35214	0.8
524.43158	0.8
550.40985	23.8
551.33728	0.8
551.41528	2.7
568.42096	71.5
569.34094	0.8
569.42444	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	568.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	1.6
53.03942	4.1
55.05504	14.4
57.07072	9.7
57.19035	1.4
59.74869	1.2
64.39653	1.3
65.03947	4.1
67.05162	1.7
67.05502	20.2
68.78741	1.3
69.03422	2.4
69.07067	15.5
69.47268	4.4
69.47683	5.4
71.04977	1.5
71.08617	2.1
79.05495	28.2
80.06269	3.2
81.07053	34.2
83.04974	3.9
83.08610	6.3
85.06525	2.9
87.53290	1.5
91.05479	52.4
92.06287	3.0
93.07043	52.0
94.07860	2.4
95.04967	44.1
95.08610	31.7
97.06535	1.9
97.10133	2.5
103.05460	4.7
104.06228	1.8
105.04480	2.7
105.07027	91.6
106.07256	2.0
106.07855	3.7
107.07923	2.7
107.08592	43.0
109.06518	5.2
109.10152	20.7
111.08082	2.2
115.05457	6.0
116.06227	1.7
117.07019	27.9
118.07836	2.7
119.08578	100.0
120.09342	6.0
121.06519	3.4
121.10148	30.6
123.08077	14.4
123.11697	5.2
125.09635	1.7
128.06218	12.4
129.07010	19.0
130.07809	9.7
131.08563	50.6
132.09401	10.5
133.10129	51.7
134.10931	6.8
135.08040	4.7
135.11688	17.7
137.09587	5.5
138.10388	7.2
139.11188	2.8
141.06976	9.9
142.07777	21.2
143.08557	44.4
144.09355	15.8
145.10121	89.1
146.10814	6.5
147.08086	2.6
147.11697	24.5
149.09608	4.6
149.13254	3.5
151.11179	4.4
151.14844	1.8
153.07043	4.1
154.07779	3.0
155.08549	21.5
156.09338	17.3
157.10129	46.7
158.10886	10.7
159.08138	2.3
159.11691	39.6
160.12442	2.5
161.09552	6.9
161.13269	8.5
163.11209	2.3
165.06993	3.6
166.07779	2.8
167.08553	7.9
168.09377	7.4
169.10114	28.0
170.10925	11.3
171.11694	33.8
172.12476	7.3
173.13266	23.3
175.11256	2.6
175.14809	22.5
177.12694	4.7
178.07845	2.2
179.08528	11.6
180.09331	5.1
181.10121	15.0
182.10895	7.8
183.11670	28.6
184.12360	6.0
185.13258	27.9
186.13994	6.2
187.14784	13.4
189.12735	4.9
191.14256	9.0
192.09322	3.3
192.15181	2.7
193.10112	8.6
194.10954	8.6
195.11696	17.0
196.12489	7.9
197.13258	28.0
198.14104	8.1
199.14784	11.7
200.15407	1.8
201.12746	4.9
201.16385	8.8
203.14317	2.2
205.10130	3.8
205.15926	2.7
206.10931	3.0
207.11572	10.0
208.12411	4.2
209.13232	21.1
210.13873	4.1
211.14801	18.1
212.15536	1.6
213.16408	6.6
217.15895	5.0
218.16652	1.9
219.11699	3.0
219.17482	2.0
220.12401	2.3
221.13251	7.5
222.14073	4.3
223.14786	8.9
224.15552	3.8
225.16389	9.7
226.17107	3.3
227.14397	1.9
227.17932	3.0
231.11789	1.6
233.13251	2.6
235.14870	7.4
236.15433	2.2
237.16388	10.8
239.17914	5.5
241.15881	1.6
241.19501	3.3
243.17436	2.2
245.13098	2.5
246.19855	2.1
247.14793	3.8
248.15552	2.0
249.16443	4.6
251.17935	4.2
252.18446	2.0
253.15845	1.6
253.19594	3.5
255.17380	2.5
257.19055	3.5
259.20731	2.2
261.16382	4.7
263.17966	6.2
265.19495	5.7
267.20889	1.5
272.21182	1.6
275.17947	3.2
276.06818	1.5
277.19510	3.6
283.20642	3.6
284.29309	2.6
285.22000	3.4
289.19510	3.1
297.22110	3.5
305.22617	2.5
309.22049	2.1
320.24860	1.7
323.23709	7.6
335.23727	2.5
336.24542	1.9
337.25418	2.0
338.26025	39.6
339.26447	2.5
351.26703	2.8
415.29816	2.0
420.30270	2.1
430.32254	13.2
431.32581	3.1
476.36438	14.7
550.48511	2.5
568.42767	20.9
568.56165	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	568.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.7
55.05511	14.4
57.07067	15.0
65.03919	5.0
67.05495	23.6
69.03423	8.6
69.07074	13.0
75.86797	3.1
76.14756	3.2
79.05486	31.4
80.06271	4.6
81.07053	46.4
83.05002	4.9
83.08604	8.0
85.06532	4.3
88.07638	5.7
91.05477	48.8
93.07041	54.1
95.04959	42.9
95.08613	28.5
97.06621	3.6
98.64206	3.1
105.07027	77.7
107.08588	48.1
109.06508	8.8
109.10145	26.6
115.05426	6.1
117.07005	28.2
118.07862	4.2
119.08577	100.0
121.06515	7.9
121.10143	33.2
123.08060	13.5
123.11738	5.5
128.06166	7.8
129.07002	16.3
130.07771	10.1
131.08559	49.8
132.09340	11.4
133.10138	54.0
134.10892	4.0
135.08063	6.7
135.11687	15.7
137.09589	10.2
138.10396	5.8
139.11159	4.6
141.06970	6.1
142.07777	16.4
143.08545	44.9
144.09377	9.0
145.10117	73.3
147.08072	3.8
147.10680	3.5
147.11688	19.1
149.09596	5.2
149.13229	5.2
154.07736	4.5
155.08527	19.3
156.09326	14.8
157.10121	45.6
158.10876	11.8
159.11687	33.2
160.12576	5.0
161.09631	7.7
161.13277	6.9
163.14742	3.9
167.08549	9.6
168.09357	5.4
169.10143	22.5
170.10887	10.4
171.11656	32.1
172.12375	7.0
173.13266	26.9
175.14827	18.1
177.12721	4.7
179.08505	8.4
181.10168	12.8
182.10947	8.0
183.11681	25.1
185.13266	25.4
186.14008	7.9
187.14838	9.8
191.07080	9.5
191.14288	9.2
192.07404	4.7
193.10153	8.8
194.10942	5.5
195.11638	16.7
196.12437	7.7
197.13275	24.5
198.13910	4.9
199.14816	10.6
201.12807	4.6
201.16414	6.9
203.14366	5.6
207.11702	6.7
208.12480	4.5
209.08089	10.3
209.13237	23.6
210.08464	3.7
210.14049	3.8
211.14755	18.8
213.16344	5.0
217.15894	4.7
221.13303	7.1
222.14014	3.8
223.14845	8.0
224.15492	5.9
225.16353	6.9
233.13277	5.2
235.14752	4.1
237.16588	7.2
239.18010	6.1
251.18108	3.8
255.17390	3.6
264.18765	3.8
275.12830	4.7
277.19327	4.3
284.29312	5.1
311.29382	3.9
323.23450	4.6
331.19031	13.8
332.19354	11.9
338.25989	33.7
416.78201	4.0
420.30457	4.5
430.32129	9.6
433.22284	6.0
476.36353	12.3
530.92194	3.8
550.32428	10.5
568.43311	29.7
568.56677	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.4
55.01864	0.4
57.03429	0.2
65.03943	3.2
67.05468	0.2
68.99806	0.6
69.03424	0.7
69.07087	0.3
71.01353	0.2
71.31731	0.4
79.05486	0.2
81.03419	0.6
81.07053	0.3
85.02907	1.1
91.05466	0.4
93.03381	0.2
93.07021	0.5
95.04968	1.6
95.08621	0.3
95.24016	0.2
97.02902	1.0
99.04444	0.4
107.04955	0.6
107.08583	0.4
109.02881	0.8
111.00801	0.4
111.04439	1.9
111.05123	0.3
119.05022	0.2
119.08556	0.3
120.84561	0.2
121.02869	100.0
121.10128	0.2
122.03192	2.5
123.04408	0.2
127.03927	0.8
133.02899	0.5
137.02333	0.7
137.05978	0.8
139.03893	1.7
145.04901	0.5
147.04427	0.8
149.05965	0.3
151.03889	0.3
153.01826	2.9
157.06494	0.5
161.05859	0.2
165.01813	1.4
167.07050	0.7
175.03635	0.2
175.07567	0.3
179.76645	0.2
181.04886	0.3
183.02892	0.6
185.05972	0.5
199.07698	0.2
213.05469	0.8
223.05974	0.3
223.72552	0.2
229.05095	0.3
231.06526	0.4
241.04909	0.8
258.05304	1.0
259.05893	0.5
265.07108	0.9
283.08115	5.0
283.11084	0.4
287.05496	61.6
288.05878	3.2
299.05536	0.6
313.67450	0.2
329.06476	0.8
353.06470	0.3
395.07535	0.7
427.73035	0.2
569.25049	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01599	0.3
51.02382	0.9
53.03951	5.1
55.01870	0.8
56.72270	0.3
57.03419	0.6
61.02941	0.3
62.15600	0.3
65.03949	0.3
67.05497	0.3
68.99798	0.8
69.03426	2.0
69.07077	0.3
69.75780	1.3
71.04991	0.4
71.93227	0.2
77.03927	1.0
79.05488	2.0
81.03407	2.4
81.07067	0.9
85.02898	3.7
91.05483	0.9
93.03426	0.5
93.07040	0.5
95.04968	5.7
95.08625	0.7
97.02888	2.3
97.06510	0.4
98.22730	0.5
99.04461	0.9
103.05421	0.4
105.03392	92.2
105.04531	2.7
105.07030	1.1
106.03693	1.9
107.06332	0.3
107.08604	0.5
109.02874	2.0
109.06488	0.4
109.10170	0.4
111.00817	1.1
117.06998	0.6
119.08511	0.5
121.02887	1.1
121.06503	0.4
121.10154	0.5
123.04422	2.5
126.68068	0.3
127.03910	2.7
131.08528	0.4
133.06503	0.4
133.10158	0.4
135.04474	0.3
137.02347	3.9
137.05966	0.7
139.03835	0.3
142.39464	0.2
145.04944	2.0
145.10094	0.9
147.11693	0.4
149.02319	0.4
151.03912	0.4
151.07549	0.5
153.01826	5.1
153.69794	0.3
159.11688	0.4
161.05968	0.8
163.03903	0.4
163.11081	0.4
165.01839	2.7
165.09105	0.3
167.07004	0.7
171.11653	0.3
173.06015	0.7
173.13161	0.3
175.07504	0.3
177.05405	0.3
183.02895	1.1
187.03912	0.5
189.05461	0.4
191.10689	0.4
193.08630	1.0
195.02943	0.3
195.06572	0.4
195.48576	0.3
201.05443	2.1
207.06543	0.5
213.05632	0.3
216.07532	0.7
219.06503	0.3
219.75089	0.3
229.04974	5.6
230.05348	0.5
247.06068	0.7
249.07550	3.6
250.07796	0.3
257.04440	2.8
267.08643	5.4
274.04822	0.8
285.03986	1.7
303.04974	100.0
304.05371	5.0
315.04922	0.4
345.06070	0.7
369.06119	0.5
411.07123	0.5
516.70459	0.3
530.79565	0.3
569.21344	4.9
598.46710	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32728	2.5
56.91907	2.3
57.89658	2.3
65.03905	3.0
67.05504	2.7
71.32712	3.7
75.87686	2.7
79.05474	9.5
81.07037	3.8
83.61139	2.6
91.05468	6.2
93.07017	3.0
95.04975	3.8
103.05447	3.8
105.07015	11.0
106.66225	2.6
107.04944	11.2
113.02201	2.5
115.05447	2.8
117.06989	2.6
121.02805	3.8
121.06483	9.5
121.10117	2.5
123.04391	4.5
125.05967	3.3
131.04984	3.4
133.06470	8.4
135.04425	3.1
135.07994	4.0
136.72038	2.8
137.05957	27.1
139.03928	3.3
145.06407	3.9
147.04408	5.3
149.05995	6.5
151.03925	12.6
151.07504	9.8
153.01819	5.6
153.05409	6.1
161.05919	7.3
163.07492	3.6
165.05420	3.1
165.06966	2.5
165.09109	5.8
167.07008	30.8
170.33769	3.2
175.07545	3.7
177.05432	6.9
179.07056	4.0
181.04889	5.4
181.08620	4.5
187.07498	3.1
193.08563	24.7
193.49138	2.9
201.03731	5.0
211.09685	15.8
283.09622	3.5
309.11453	2.8
327.12192	5.7
329.08435	3.0
347.09518	9.6
359.14810	16.3
369.00433	2.9
377.30219	2.9
405.13583	8.4
436.21619	2.7
462.57608	3.7
569.21875	100.0
570.21997	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	569.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.6
56.12533	0.3
65.03905	0.3
65.91769	0.2
67.05496	0.9
69.03409	0.5
69.07053	0.4
69.21729	2.2
69.35813	0.2
73.02896	0.3
73.35136	0.2
76.84317	0.3
79.05490	0.8
81.03417	0.7
81.07060	0.9
85.02901	0.4
86.09692	0.6
90.58637	0.3
91.05448	1.2
93.07037	0.7
94.80299	0.3
95.04951	0.5
95.08601	0.4
97.10219	0.4
103.05476	0.5
105.07016	1.8
107.04950	1.7
107.08591	0.4
109.02873	0.4
111.04417	0.3
117.06990	0.5
119.08561	0.4
121.06457	0.4
121.10172	0.5
123.07986	0.4
125.05979	0.4
127.03889	0.3
131.04907	0.4
131.08571	0.6
133.06499	1.2
133.10158	0.5
135.08061	0.4
137.05962	0.8
141.21445	0.2
143.08539	0.2
145.10152	0.4
146.82669	0.2
147.11664	0.3
149.05907	0.3
149.09689	0.3
151.03914	2.1
151.07538	0.5
152.79134	0.2
153.01747	0.4
155.08440	0.4
157.10219	0.3
163.07530	0.8
165.09238	0.6
167.07019	0.6
169.08549	0.3
181.04976	1.4
193.08606	4.8
193.10381	0.3
193.12282	0.6
194.08893	0.3
195.06601	0.6
195.10161	0.9
203.05281	1.1
211.13324	1.0
245.86098	0.3
259.07938	0.8
289.10629	1.0
295.15189	0.4
325.15948	0.3
331.09970	0.4
337.76971	0.3
371.14725	0.4
407.23969	0.9
457.20471	2.3
471.22006	3.6
487.21555	1.0
559.23450	0.3
569.29285	100.0
570.29633	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	569.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.3
54.57410	0.3
55.05495	0.4
67.05515	0.5
69.07031	0.3
69.56961	1.1
69.57374	0.7
79.05482	0.7
81.03435	0.6
81.07054	1.0
83.05005	0.3
85.02934	0.4
88.98661	0.3
91.05485	1.1
93.07057	0.7
95.04956	0.6
95.08628	0.7
97.10190	0.5
98.23267	0.5
103.05504	0.5
105.07026	1.5
107.04980	1.1
107.08604	0.5
119.08603	0.6
121.02863	0.4
121.10117	0.4
125.05964	0.4
127.03931	0.7
128.06140	0.3
131.08525	0.4
133.06490	0.9
137.06012	0.8
145.06493	0.3
151.03894	1.9
151.07574	0.5
153.01794	0.4
157.10161	0.3
163.07594	0.7
163.11285	0.3
165.09082	0.6
167.07011	0.5
168.67136	0.3
179.07159	0.4
181.05000	1.1
181.08546	0.3
185.04272	0.5
193.08607	4.9
194.09041	0.3
195.06572	0.7
195.10220	1.0
203.05376	1.0
211.13257	0.5
219.10242	0.3
259.07965	0.8
268.54431	0.3
289.10748	1.1
292.72263	0.3
370.72742	0.3
407.24146	1.0
457.20374	2.3
470.09738	0.3
471.22122	3.7
487.21921	0.7
569.29315	100.0
570.29755	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	569.293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	0.3
57.03432	0.4
65.03937	0.3
65.53903	0.2
67.05494	1.0
69.07076	0.5
71.32014	0.4
72.59376	0.3
76.04713	0.2
79.05489	0.9
79.78375	0.2
80.05830	0.2
81.07056	1.0
83.08625	0.3
85.02928	0.3
86.09719	0.5
91.05489	0.8
93.06499	0.3
93.07044	1.0
95.04970	0.5
95.08591	0.7
97.10181	0.3
103.05456	0.3
105.07037	0.8
107.04948	0.4
107.08583	0.9
109.02884	0.2
109.10159	0.7
111.04440	0.3
119.08601	0.5
121.06535	0.5
121.10171	0.8
129.06982	0.3
131.04979	0.3
131.08582	0.5
133.10181	0.4
137.06010	0.5
145.10123	0.4
147.11734	0.3
149.13367	0.2
151.03877	1.3
151.07520	0.5
153.01823	0.4
156.09215	0.3
157.10216	0.3
159.08078	0.3
159.11610	0.3
163.07521	0.3
163.11165	0.3
167.07100	0.5
171.07983	0.3
181.04955	1.7
185.04266	0.4
193.08600	0.4
259.07791	0.3
261.61951	0.3
270.68787	0.3
331.09967	0.6
407.24118	1.0
457.20477	2.4
471.22015	4.3
472.22324	0.3
479.26239	0.3
487.21509	0.8
569.29279	100.0
570.29565	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	569.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.0
55.01881	2.0
55.05507	12.0
57.03435	3.3
57.07085	7.0
61.69982	2.0
65.03951	1.4
67.05503	25.2
69.03423	2.5
69.07070	12.5
69.18083	10.5
71.04992	10.0
71.08626	2.9
79.05489	22.4
81.07056	48.2
83.01380	1.6
83.04967	3.4
83.08602	7.1
85.06551	4.5
86.22759	1.6
87.04475	2.6
89.06069	2.1
89.12712	1.4
91.05469	10.9
93.07049	21.6
95.04963	5.7
95.08604	30.8
97.06540	7.0
97.10172	9.5
99.08125	1.7
105.07024	13.0
107.04955	2.9
107.08599	17.1
109.06528	8.1
109.10159	15.9
111.04432	1.6
111.08063	3.4
113.06023	4.9
117.07012	2.4
119.08548	7.9
121.06515	4.9
121.10124	15.4
123.08066	62.8
123.11702	7.9
125.09610	8.4
126.20168	1.5
131.08577	3.8
133.08600	1.8
133.10139	9.2
135.08072	4.9
135.11673	8.5
137.05957	2.7
137.09622	6.3
137.13249	3.1
139.11165	8.9
143.08598	3.5
145.10081	3.6
147.08089	4.0
147.11642	6.9
149.09637	3.5
149.13255	3.3
150.10385	2.9
151.07549	4.0
151.11143	3.0
153.05504	7.1
153.09146	4.2
157.10153	4.1
159.11729	5.0
161.06010	2.2
161.09608	5.8
161.13327	1.7
163.07571	5.3
163.11215	1.9
165.09125	2.9
165.80859	1.3
167.03474	2.8
167.10675	3.7
171.11717	1.8
173.09593	1.5
173.13383	2.0
175.07578	2.7
175.11201	4.3
177.05452	1.8
179.07039	20.9
179.10657	3.4
183.06557	3.1
185.09694	2.4
187.07587	3.0
189.09158	3.1
189.11247	9.2
189.12766	2.3
191.07071	7.4
191.14342	2.8
192.07732	1.9
193.08624	5.2
193.12404	2.2
199.11221	1.6
203.06999	2.7
203.10667	9.0
205.08582	15.1
207.10219	5.2
209.08168	4.4
209.15381	3.1
211.09598	3.7
211.91580	1.4
217.12399	3.0
218.77802	1.7
219.10220	2.3
219.13760	3.3
221.08092	7.1
221.11780	6.3
223.09622	2.7
227.10719	3.9
229.08470	1.8
229.12303	2.0
231.10173	4.2
231.13821	3.1
233.11755	3.0
235.13205	6.7
235.89986	1.8
235.93947	1.3
237.14825	14.9
239.10774	2.7
245.11694	13.8
247.09657	2.8
247.13361	2.3
249.11319	6.6
255.13829	3.5
257.11780	5.8
259.13303	2.4
261.22195	5.0
263.12775	24.0
264.13556	4.0
273.14749	6.9
273.20621	1.7
275.12805	4.7
279.16229	2.3
279.23123	18.7
279.25613	1.5
284.29666	2.1
287.16394	2.0
291.15952	4.5
297.11169	2.1
297.14856	4.1
297.24213	7.8
301.14337	1.9
303.16202	1.8
311.29727	2.5
315.15903	18.0
317.13531	1.4
317.17566	5.3
333.16971	41.9
333.20911	2.4
369.20520	2.8
385.16714	1.9
387.21573	17.5
388.21979	2.0
417.22873	1.7
431.31760	4.0
481.26337	2.5
485.25656	2.6
499.26984	5.7
515.44702	2.8
533.45697	1.7
551.29840	5.7
568.56805	5.3
569.31097	100.0
569.56854	2.9
570.23151	1.5
570.30914	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	570.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01601	0.2
50.82829	0.1
51.02376	0.6
53.03944	1.1
55.01860	0.4
57.03424	0.6
61.02912	0.5
67.14719	0.1
69.03429	1.9
69.08451	1.5
73.02913	0.3
73.03528	0.1
77.03902	0.4
79.05036	0.3
79.05492	5.4
81.03407	1.4
85.02901	8.8
86.03228	0.2
86.09681	0.3
87.04453	0.2
88.46677	0.2
91.03941	0.6
91.05463	0.7
95.04961	2.0
97.02884	3.3
99.04461	0.5
105.04503	0.8
105.07020	0.2
107.04948	100.0
108.05272	2.1
109.02873	1.1
109.06499	0.5
114.30784	0.1
119.08588	0.2
121.06449	0.2
123.04421	0.2
124.99995	0.3
127.03905	2.3
131.04916	0.1
135.04407	0.2
137.05971	0.6
143.03404	0.2
145.04955	3.6
153.01828	5.9
153.05441	0.2
154.02075	0.2
159.11592	0.2
163.06017	1.0
163.07397	0.3
165.68738	0.2
167.07036	0.8
171.02867	0.7
181.04976	0.2
184.07347	1.0
195.10153	0.8
201.08989	0.2
221.11772	0.3
229.08614	0.2
297.06171	0.3
315.07108	1.1
526.72479	0.2
570.22205	0.3
571.26654	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.2
58.78038	0.9
61.02933	1.5
69.03432	3.5
71.33025	1.4
79.05500	3.8
79.26651	0.9
81.03415	2.6
82.18542	1.2
85.02905	9.7
91.05475	7.1
93.07045	5.3
95.04968	3.4
97.02909	4.5
103.05460	5.4
105.07045	5.0
107.04948	10.4
109.06499	1.1
111.04440	1.7
115.05460	2.7
117.07027	2.7
119.04929	3.0
121.02946	1.0
121.06502	8.1
123.04430	4.4
124.03977	1.0
124.05237	1.5
125.05942	2.2
127.03914	1.3
128.06238	2.0
128.83868	1.1
129.06989	16.2
131.04935	4.5
131.08560	8.9
133.06493	1.3
135.08041	3.3
137.05960	9.2
139.03903	1.1
140.03448	1.7
140.04585	1.4
141.06996	5.2
145.04958	2.0
145.06493	4.0
147.04437	1.8
147.08043	1.2
148.05244	1.7
149.05992	2.7
151.03937	2.9
151.07523	10.1
153.01884	2.2
153.05472	4.4
155.07111	1.3
157.06491	12.6
158.07213	1.8
159.08041	4.1
161.05959	14.9
161.09615	4.5
162.07698	1.2
163.07524	8.6
163.36984	1.1
165.05519	1.4
165.06993	1.3
165.09099	3.6
165.12758	1.3
165.75792	0.9
166.06282	3.8
167.07037	42.8
167.08456	2.1
168.07420	1.1
169.06445	1.9
174.06786	12.0
175.07542	7.2
177.05452	1.2
177.09084	5.9
179.07021	2.0
179.08530	1.9
180.08687	1.3
181.05008	4.1
181.08586	42.7
182.07292	1.7
182.09007	1.4
186.06746	2.2
187.07550	1.3
189.09091	50.4
190.09563	3.3
191.07013	3.2
191.10687	1.8
193.08583	2.0
194.07210	1.7
195.08057	3.7
197.09660	4.1
201.09120	5.8
207.10167	6.0
210.06700	1.6
219.10147	58.0
220.10583	2.4
221.06027	2.5
223.07529	2.9
223.11157	2.1
225.09155	6.7
227.07088	1.1
229.12173	1.2
236.08315	1.6
237.09009	1.7
239.07001	1.5
239.10690	1.6
240.07820	2.4
247.07449	1.2
251.06943	2.0
251.10727	2.2
253.08559	6.3
255.06479	1.4
255.10187	3.0
257.11819	7.3
265.08661	1.5
267.06445	1.0
267.10141	1.9
268.07428	1.2
269.08130	1.3
270.08820	2.3
279.10104	1.5
283.09683	5.3
283.13297	5.1
285.08035	1.3
285.11163	12.6
297.11234	2.1
299.12848	1.2
302.11453	1.7
305.13840	1.5
309.11169	1.5
311.12735	4.3
315.12152	7.4
317.13852	14.5
318.14139	1.3
329.13596	1.7
331.15359	3.7
343.15387	22.8
361.16434	100.0
362.16751	8.3
420.09729	1.0
570.21619	9.7
571.21014	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14889	0.7
53.03931	1.1
53.08582	0.7
55.01880	1.2
55.70099	0.7
57.03425	1.4
65.03944	1.4
69.03416	2.3
69.21705	4.2
70.06585	0.8
71.04995	0.8
79.05484	2.2
79.79034	0.7
81.03410	2.2
81.07056	0.8
85.02911	8.3
91.05480	5.2
93.07054	2.6
95.04987	1.5
97.02878	2.1
103.05457	3.1
105.07027	3.5
107.04951	8.6
109.02889	1.5
111.04446	2.1
117.06974	1.5
119.04939	1.5
119.08603	0.8
121.06538	4.3
123.04428	2.0
124.05141	0.9
125.05960	1.4
127.03909	1.1
128.06232	1.2
129.07013	6.3
131.04933	3.5
131.08586	3.6
133.02866	0.8
133.06490	2.4
135.04404	1.1
135.08055	2.1
137.05966	7.7
145.06490	1.5
147.04405	2.0
148.05154	1.8
149.05957	2.5
151.03905	17.4
151.04938	0.8
151.07510	5.2
152.04233	5.0
153.01790	3.8
153.05518	3.3
155.07039	0.8
157.06497	5.9
158.07216	1.3
161.05984	14.1
161.09636	4.1
163.03885	1.2
163.07556	6.4
165.05476	2.0
165.06932	1.6
165.09088	3.9
166.06261	2.8
167.07037	25.2
167.08409	1.3
169.04956	1.4
171.08139	0.9
174.06796	2.4
175.07544	4.2
177.05586	1.2
177.09146	3.8
179.07002	2.0
179.08539	1.3
181.05002	3.3
181.06883	0.9
181.08588	26.0
182.07245	1.1
182.08899	1.4
183.08009	1.1
189.09100	23.7
191.06996	1.5
191.08626	0.9
194.07378	1.2
195.08054	3.3
197.06081	0.9
197.09651	3.0
207.08192	1.6
207.10167	6.9
209.05946	0.8
210.06755	1.7
211.07556	0.9
212.08356	1.4
219.08011	2.2
219.10178	1.7
221.05865	0.9
223.07544	2.7
223.11226	1.7
225.09157	5.2
227.07199	1.0
236.08249	1.1
237.09062	1.4
239.06996	0.9
239.10550	1.1
240.07748	1.1
242.09221	0.9
247.07591	1.3
249.09096	0.9
251.07042	1.8
251.10718	2.6
253.08580	3.7
254.09244	1.1
255.06316	1.0
255.10201	3.3
256.42166	0.8
257.11682	5.3
264.07956	1.0
267.10135	1.6
269.08197	0.8
270.08777	1.6
279.10254	1.9
283.10010	4.6
283.13251	4.2
285.07831	1.2
285.11139	9.3
292.27130	0.7
296.10422	0.8
297.11145	1.6
299.09357	1.0
302.11407	1.7
305.13599	1.2
311.12750	2.3
314.09235	0.9
315.12225	5.1
317.13861	9.3
329.13885	2.4
331.15375	2.1
343.11560	1.4
343.15369	11.9
344.15866	1.2
361.16437	100.0
362.16855	7.1
373.16534	1.9
442.01697	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00194	1.1
61.02926	1.8
65.03941	1.4
65.11447	1.1
67.05503	2.1
69.03421	2.4
69.05128	12.4
75.90310	1.3
79.05495	6.0
81.03429	3.2
81.07044	2.4
83.04994	1.3
85.02898	8.8
91.04982	1.6
91.05479	9.8
93.03404	2.0
93.07063	1.3
93.72705	1.1
94.04184	2.3
95.04957	2.7
97.02885	3.3
98.22569	2.1
101.14092	1.1
103.05470	1.6
104.60841	1.1
105.07034	4.6
106.04164	1.3
107.04958	16.8
109.02881	1.9
109.06519	3.8
111.04468	3.3
115.05468	2.5
119.04952	3.1
121.06540	1.7
121.10120	1.5
122.03626	6.7
123.04417	3.6
125.05985	3.8
127.03938	1.7
128.06216	3.6
129.06999	13.8
131.04929	1.9
131.08575	16.3
133.06517	3.8
135.04431	1.4
137.05972	100.0
138.06346	2.7
140.04671	1.5
141.06952	3.0
143.08565	1.8
144.05711	5.3
145.04982	2.4
145.06465	5.7
149.05965	6.7
151.03906	4.5
151.07553	16.5
153.05510	6.7
155.07025	1.6
157.06465	8.1
158.07243	2.1
159.08066	22.7
161.05975	5.0
161.09578	3.7
162.07693	1.2
163.03940	1.3
163.11217	1.5
165.09027	1.7
167.07036	58.9
168.07385	2.2
169.07629	2.3
170.07320	3.7
171.08174	1.7
174.06741	8.7
175.07530	4.7
177.05478	4.6
177.09186	1.5
180.08701	3.5
181.04948	1.9
181.08633	4.0
183.06606	1.3
187.07542	23.7
188.08168	1.4
189.09102	53.7
190.09488	2.2
191.10658	7.2
193.08672	1.3
201.09123	9.0
204.07787	12.2
205.08517	1.6
209.11774	1.4
216.07768	2.6
217.08508	1.5
219.10164	33.2
220.08727	2.4
220.10629	1.3
221.11732	6.7
227.12801	1.6
231.08141	2.3
231.10185	14.8
235.07573	1.6
235.11160	3.2
237.11177	8.1
247.07516	1.8
248.08376	3.4
249.11197	8.9
252.07819	3.9
263.10660	7.2
264.11072	1.4
265.08551	2.0
266.09317	1.3
279.10199	2.0
280.10788	2.2
285.07623	2.9
291.10199	4.1
295.13290	4.4
298.08286	1.4
300.09952	4.4
309.11411	1.2
313.10736	8.7
323.12720	11.5
324.13419	1.9
325.10767	2.0
328.13284	1.7
340.13010	3.0
343.15265	6.8
355.15390	57.6
356.15738	3.8
373.16498	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	570.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20800	0.4
55.03074	0.4
66.22856	0.4
66.92515	0.4
69.01686	4.3
69.03408	0.8
81.03405	0.5
85.02917	2.2
86.00857	0.4
91.05469	0.8
97.02886	1.0
115.05466	1.0
122.02776	0.4
128.06197	1.0
129.07002	4.7
131.04929	0.8
131.08566	7.0
137.05997	1.1
137.97867	0.5
139.03882	0.4
141.06981	4.9
143.08524	0.4
145.06422	0.5
146.07312	0.6
151.03859	0.5
153.01804	1.6
157.06505	4.6
157.07748	0.7
158.07269	2.7
159.08055	5.7
160.05202	0.6
161.09598	0.5
162.07646	0.5
163.07561	0.5
167.07048	0.5
169.06476	2.8
170.07207	1.1
173.06065	0.5
174.06750	12.1
175.07500	2.9
180.08673	0.7
186.06734	3.3
187.07570	0.8
188.08267	0.6
189.09093	24.9
190.09380	0.9
191.10666	1.7
201.09099	9.2
207.10216	0.9
208.36638	0.4
219.10147	100.0
220.10519	4.7
237.11151	1.3
257.04419	1.5
268.31519	0.5
276.79602	0.4
310.03876	0.4
381.15503	0.5
409.08902	0.6
442.72302	0.5
497.26260	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20800	0.4
55.03074	0.4
66.22856	0.4
66.92515	0.4
69.01686	4.3
69.03408	0.8
81.03405	0.5
85.02917	2.2
86.00857	0.4
91.05469	0.8
97.02886	1.0
115.05466	1.0
122.02776	0.4
128.06197	1.0
129.07002	4.7
131.04929	0.8
131.08566	7.0
137.05997	1.1
137.97867	0.5
139.03882	0.4
141.06981	4.9
143.08524	0.4
145.06422	0.5
146.07312	0.6
151.03859	0.5
153.01804	1.6
157.06505	4.6
157.07748	0.7
158.07269	2.7
159.08055	5.7
160.05202	0.6
161.09598	0.5
162.07646	0.5
163.07561	0.5
167.07048	0.5
169.06476	2.8
170.07207	1.1
173.06065	0.5
174.06750	12.1
175.07500	2.9
180.08673	0.7
186.06734	3.3
187.07570	0.8
188.08267	0.6
189.09093	24.9
190.09380	0.9
191.10666	1.7
201.09099	9.2
207.10216	0.9
208.36638	0.4
219.10147	100.0
220.10519	4.7
237.11151	1.3
257.04419	1.5
268.31519	0.5
276.79602	0.4
310.03876	0.4
381.15503	0.5
409.08902	0.6
442.72302	0.5
497.26260	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.2
55.01863	6.5
55.05498	8.9
57.03439	5.9
59.27723	2.8
60.75467	3.0
61.02927	8.1
65.03960	3.8
67.05502	11.1
69.03423	12.8
69.07058	14.9
69.57742	18.8
71.04993	8.3
78.04741	3.3
79.05482	21.8
81.03416	16.4
81.07057	19.9
83.04969	19.1
85.02898	21.2
85.06556	4.0
91.05477	22.8
93.07030	20.4
95.04976	8.9
95.08607	12.0
97.02895	13.1
97.06521	17.4
97.10184	4.7
98.23304	4.2
99.04445	7.7
103.05454	14.9
104.96548	3.3
105.03388	8.5
105.07019	41.5
107.04935	29.1
107.08596	14.4
109.02892	9.2
109.06519	12.9
109.10162	9.5
111.04501	4.0
111.08053	5.6
115.05468	9.6
117.07021	16.5
119.04961	13.5
119.08604	12.4
121.02869	14.3
121.06488	34.3
121.10146	9.8
123.04380	8.0
123.08073	8.8
125.05974	20.9
127.03932	11.4
129.07071	4.4
131.04935	13.6
131.08577	8.4
132.05698	4.7
133.06497	14.3
133.10179	9.3
135.04445	10.3
135.08057	8.9
135.11652	3.8
136.05234	5.1
137.05981	32.6
137.09625	5.2
143.07014	12.1
143.08582	4.4
145.06543	11.2
145.10118	24.2
146.07239	27.1
147.04401	8.1
147.08051	8.9
147.11714	7.7
149.05954	26.1
149.09654	10.9
150.09984	3.6
151.03938	6.3
151.07535	47.5
152.07886	3.4
153.01866	12.0
153.05460	94.9
155.05986	3.3
155.07133	4.2
158.07277	6.5
159.08087	7.0
159.11702	13.2
161.05992	18.4
162.06781	13.2
163.03902	10.1
163.07507	29.0
163.11194	8.8
165.05464	32.1
165.09114	19.0
165.12631	3.3
167.07016	61.1
169.08769	5.2
169.10112	3.8
173.05988	3.3
173.09650	14.5
175.07603	7.7
176.04634	4.7
177.05460	39.2
177.09091	29.6
177.12782	4.0
178.05981	3.5
178.09885	100.0
179.07007	37.7
179.10562	6.0
187.11206	14.2
189.09131	3.4
189.12709	4.4
191.07031	72.5
191.10680	13.6
193.08575	19.4
195.06435	23.8
201.09145	4.3
203.06995	5.8
205.08693	4.1
205.12276	19.3
207.10172	9.9
207.13795	5.2
208.14178	5.0
213.07622	4.8
215.10724	21.2
217.08525	4.0
219.10178	8.4
221.08104	13.1
223.13339	5.3
233.11736	22.9
233.15421	4.1
235.09637	11.5
251.12822	30.8
251.15179	4.1
251.16411	3.8
329.13788	65.8
330.14246	5.8
343.15479	12.0
355.15372	66.0
355.19443	4.3
356.15686	5.7
373.16306	20.6
391.17487	53.5
395.16946	4.4
513.12793	3.5
570.21637	20.9
571.28754	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	570.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
55.01859	0.6
55.05502	0.9
57.06831	0.4
57.07077	7.1
58.06604	1.9
64.30215	0.3
65.03935	0.6
67.05480	1.3
68.05013	0.6
69.07053	1.1
70.06593	20.6
71.06931	0.5
71.08642	2.8
72.08131	0.6
79.05486	1.3
81.07058	2.0
83.08606	0.5
85.10175	0.8
88.07630	25.7
91.05475	0.5
93.07018	0.9
95.04948	0.9
95.08589	1.6
97.06536	0.5
98.10555	0.4
98.22511	0.9
102.09176	17.8
105.03389	20.4
105.07003	0.8
107.08570	0.8
109.10137	0.9
119.08580	1.1
121.10175	0.7
131.04910	1.0
133.10132	0.7
139.19525	0.5
142.37218	0.3
145.10103	0.6
147.04366	0.8
147.11681	0.4
149.02357	13.7
149.05974	79.7
150.06331	1.9
153.06956	0.6
159.11707	0.5
170.82767	0.4
175.03862	1.0
181.06500	2.5
191.14394	0.4
193.04950	14.1
212.23679	0.8
219.06558	1.0
237.07607	0.5
237.14911	0.6
256.26346	62.6
257.26599	2.2
277.68085	0.4
297.07556	16.9
298.07880	0.7
341.10187	64.9
342.10629	4.3
347.08804	0.5
504.32162	0.4
536.90240	0.4
546.31689	0.8
552.32959	0.4
570.34229	100.0
571.34692	9.9
592.72095	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	5.2
57.07071	51.0
67.05500	5.0
69.07069	9.9
69.65317	5.1
70.86166	1.7
71.08630	50.1
73.06548	4.3
79.05485	4.6
81.07056	5.6
82.80856	1.4
83.08613	6.6
85.10180	31.4
87.04451	4.5
89.06030	100.0
91.05456	3.4
93.07018	4.4
95.08595	3.7
97.06535	1.8
97.10156	4.5
99.11729	4.9
105.07039	2.2
107.07021	2.3
107.08601	2.4
109.10128	4.7
111.11694	4.5
113.13264	4.1
117.09119	6.8
117.58886	1.6
119.08611	2.5
121.10107	1.9
125.13223	1.8
127.14828	3.6
131.07007	2.1
133.08600	65.3
133.10117	2.8
147.04413	2.0
149.13225	1.8
157.10121	1.4
161.71550	1.6
163.03928	2.5
167.06990	5.5
177.11215	21.7
210.08968	2.1
221.13713	4.3
239.14709	1.9
249.50438	1.7
253.52626	1.6
263.75009	1.7
271.26221	4.3
276.91058	1.4
283.17352	2.1
315.28894	3.7
371.22733	8.5
553.42700	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	571.2015
Annotation	Pyrolaside A
Peak:m/z	Relative Intensity
52.03175	0.2
53.03940	0.7
55.01868	0.5
57.03431	0.7
59.24729	0.1
65.03930	1.7
67.05501	1.6
68.99789	0.3
69.03427	0.9
69.45399	0.2
71.01348	0.3
71.04990	0.2
71.33052	0.3
75.04475	0.4
77.03947	0.2
79.01865	0.2
79.05459	0.2
80.02654	0.3
81.03410	3.6
85.02899	1.5
91.05483	0.4
93.03401	1.1
93.63541	0.2
95.01308	1.0
95.04966	1.0
97.02889	0.5
99.04462	0.3
105.04492	0.3
107.04977	0.3
108.02069	2.0
109.02868	1.6
110.03645	2.3
111.04430	1.9
112.01586	0.3
121.02862	1.0
121.03897	0.2
123.04403	0.7
125.05981	8.5
127.03867	0.9
131.08589	0.3
136.01546	0.7
137.05988	0.8
139.03894	1.7
141.05441	1.9
147.04414	0.2
151.03894	100.0
151.04979	8.1
152.04234	2.8
152.05338	0.3
153.01825	0.5
153.05450	12.0
154.02638	0.2
154.06236	3.9
155.03313	0.2
161.05952	0.2
163.04001	0.2
167.07025	0.6
169.04956	2.9
170.05670	0.6
175.07579	0.2
181.05005	0.2
181.08670	0.2
185.08075	17.1
186.08354	0.4
197.08141	0.2
205.12207	0.2
209.08144	0.3
219.10236	0.2
223.09782	0.2
225.07555	54.5
226.07930	1.7
227.09041	0.3
243.08649	1.1
251.09123	0.2
275.09140	0.7
285.09473	0.2
295.08008	0.6
327.10767	0.3
360.20526	0.2
369.11734	5.1
370.12094	0.2
387.12787	2.9
571.24115	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2017
Annotation	Pyrolaside A
Peak:m/z	Relative Intensity
50.01585	0.3
51.02378	0.7
53.03938	0.7
53.17231	0.2
55.01869	0.6
57.03431	1.4
61.02926	0.2
69.03429	2.7
70.86338	0.2
71.04977	0.5
71.33894	0.3
75.04477	0.7
79.01846	3.8
79.05490	0.8
81.03414	5.6
85.02901	3.9
86.78107	0.2
91.05497	0.4
94.04166	0.4
95.04927	0.2
97.02888	3.9
99.04443	0.5
103.05454	0.7
105.07029	5.6
107.01318	1.9
107.04961	0.6
109.02876	4.9
109.06498	0.2
110.51546	0.2
115.05472	0.4
117.07053	0.2
119.08558	0.2
121.02869	0.9
122.03612	0.5
123.04394	0.3
124.05239	0.3
125.02337	3.1
127.03913	6.8
131.04924	0.4
133.06485	12.5
134.06837	0.5
135.00812	0.3
135.08067	0.3
137.05971	22.9
138.06268	0.6
139.03828	0.5
143.03384	5.1
145.04933	0.5
147.08038	0.3
149.06004	0.3
151.03941	0.3
151.07521	0.4
153.01823	100.0
153.02864	4.4
154.02156	2.2
161.06003	0.3
163.07504	1.4
165.09119	8.2
166.09410	0.4
171.02888	9.7
171.07913	0.2
172.03185	0.2
175.07594	1.0
177.09114	0.5
181.05034	0.2
181.08607	0.6
183.10162	7.1
184.10558	0.3
189.09055	0.3
203.10652	0.6
207.10236	0.5
221.11653	1.2
227.05473	5.3
239.12758	0.8
257.13821	8.8
258.14163	0.5
273.10980	0.3
279.04941	0.6
281.14014	0.5
297.06058	3.8
315.07074	9.5
316.07407	0.4
347.15039	0.4
387.91626	0.3
391.13565	0.3
391.94611	0.2
392.94638	0.3
415.96362	0.4
511.75085	0.2
527.14099	0.2
554.91016	0.2
571.23755	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.215
Annotation	Gigasol
Peak:m/z	Relative Intensity
56.77505	0.4
67.14268	0.4
68.69897	0.5
69.12340	1.4
69.12756	2.6
81.07034	0.7
86.09696	0.7
91.05465	0.6
95.04939	0.6
105.06998	0.6
107.04955	2.1
119.08649	0.5
121.02842	0.5
123.04438	0.6
135.04431	0.5
135.08090	0.6
137.02350	0.5
137.05978	1.7
149.05998	0.5
151.03862	1.2
153.01828	4.0
154.02126	0.7
162.02919	1.6
163.07547	1.1
165.09073	0.9
167.06995	2.6
169.04781	1.2
176.08127	1.2
181.04985	1.4
181.08510	0.6
184.07350	1.4
189.08911	1.5
190.73862	0.4
195.10214	1.0
203.22850	0.5
257.07816	0.5
287.12451	4.3
329.13510	1.0
415.17337	1.5
431.16772	4.9
571.21375	100.0
572.21777	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	571.2382
Annotation	Ro 09-1468
Peak:m/z	Relative Intensity
50.09000	0.8
53.03951	3.8
55.01870	1.4
55.05505	4.1
58.34242	0.7
65.03930	1.5
65.32622	0.7
67.05499	10.5
67.53442	0.8
69.03435	6.2
69.07053	0.8
71.04974	2.2
71.33035	1.3
73.58280	0.7
77.03960	1.0
77.87050	1.1
79.05486	15.2
81.03409	10.1
81.07046	5.3
82.20561	0.9
83.04976	4.9
85.02911	2.2
91.05464	7.7
93.07043	4.1
95.01295	0.9
95.04962	8.1
95.08604	3.6
97.02882	2.6
97.06506	2.9
99.04451	5.2
103.05499	1.4
105.04464	1.2
105.07035	12.8
107.04945	22.5
107.08571	3.6
109.02876	4.1
109.06522	5.4
109.10155	32.1
110.03651	2.3
110.10474	1.2
111.04458	4.6
115.05466	1.0
117.06981	2.6
119.08575	10.3
121.02815	1.2
121.06501	3.0
123.04410	2.6
123.08048	1.2
125.05984	12.5
127.03902	1.3
128.06224	6.5
129.06992	4.4
131.04889	1.0
131.08562	1.5
133.06477	2.4
133.10135	10.5
135.04413	6.7
135.08037	0.9
137.05974	3.3
137.09607	50.2
138.09933	1.7
139.03893	1.7
141.06973	0.9
143.07051	1.4
143.07292	1.5
143.08540	15.7
145.06479	1.6
145.10123	2.8
146.07231	3.2
147.08032	22.4
151.03961	1.3
153.01877	1.9
153.05453	12.6
154.06248	4.5
159.08069	2.1
161.09605	100.0
162.09961	4.0
163.07535	1.4
163.11186	2.3
165.09102	87.7
166.09421	2.3
167.07004	4.5
171.07983	1.4
173.04463	1.8
174.06787	2.7
178.06264	1.6
179.07013	2.3
179.10623	7.2
181.04974	2.1
181.08632	1.0
185.08076	21.9
189.09097	12.1
191.06969	0.8
193.08566	1.6
195.06549	1.3
195.10130	1.7
196.10509	1.1
197.11719	3.1
198.10353	1.1
207.10152	55.6
208.10500	2.8
209.08052	2.2
213.09067	0.9
217.04887	1.4
225.11201	14.0
227.09129	2.2
232.07310	0.9
247.09721	1.9
251.09111	1.7
270.05457	1.0
275.09152	11.0
293.10211	3.3
309.13474	0.8
313.06937	1.3
327.14285	1.9
345.09518	1.4
369.15393	6.7
387.16473	5.2
473.10300	0.9
571.14270	1.7
571.28265	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01657	2.0
53.03949	3.9
55.01862	4.1
55.05513	14.1
57.07074	10.1
59.04997	3.3
67.05211	2.5
67.05508	28.3
69.03429	7.9
69.07066	16.1
69.32505	8.5
69.32935	6.4
71.04988	11.8
71.08631	3.1
77.03935	2.2
79.05495	22.2
81.07053	35.3
83.04980	6.4
83.08630	8.9
85.02912	2.2
85.06534	3.7
87.04451	6.0
89.06023	34.2
90.06376	3.0
91.05485	22.8
91.11191	1.7
93.07045	34.8
95.04965	12.1
95.08607	28.9
97.06535	28.0
97.10155	8.3
98.22655	3.0
103.05461	2.3
104.63799	1.9
105.07020	19.0
107.08591	20.9
109.06527	11.7
109.10173	15.6
111.08077	5.3
111.11732	2.1
113.05989	8.1
113.09677	3.7
117.07019	6.0
117.38448	2.2
119.08607	13.8
121.06516	7.9
121.10140	31.6
123.04412	3.2
123.08061	8.8
123.11698	7.5
125.09646	10.1
127.07546	2.4
129.06996	5.8
131.08562	12.9
133.06505	6.9
133.08600	19.9
133.10115	10.7
134.08853	2.6
135.08064	11.6
135.11688	9.4
137.06010	2.4
137.09618	14.6
137.13237	3.2
139.07597	2.5
139.11171	26.8
141.05476	5.2
142.07825	2.2
143.08578	4.4
145.06464	2.2
145.10135	5.9
147.08067	5.7
147.11702	6.8
149.06006	3.0
149.09607	17.5
149.13264	7.2
150.10422	7.8
151.07501	5.3
151.11188	7.2
153.05492	2.1
159.08032	8.5
159.11723	3.2
161.05988	4.4
161.09654	5.8
161.13254	3.5
163.07559	5.0
163.11267	3.7
163.14787	3.2
165.05379	2.0
165.09070	5.1
167.10699	17.1
171.11736	2.6
172.90662	2.2
173.06030	2.6
173.09583	3.4
173.13235	6.9
175.07547	7.9
177.09149	8.8
177.11272	8.8
179.07016	5.9
181.08656	4.1
181.10094	2.6
183.11652	2.4
185.09589	3.8
185.11768	2.6
189.05521	3.7
189.09106	3.5
189.12718	3.6
191.14317	11.1
193.12231	2.4
195.10197	3.3
195.13774	2.6
197.08096	9.3
199.07568	2.8
199.11244	4.5
201.09068	4.9
205.08638	3.3
207.13689	2.7
209.15381	10.6
215.07014	2.6
215.10663	4.0
217.12172	2.3
219.10063	2.9
219.13756	5.6
227.10684	2.5
229.08592	2.4
229.48814	2.4
233.15363	2.2
235.13257	11.7
237.11237	4.7
237.14845	100.0
238.15237	3.7
239.10765	3.5
243.13850	3.1
243.21071	2.9
245.11752	3.9
249.11244	2.7
249.14787	3.7
251.10664	2.8
253.12355	4.6
259.13184	2.8
261.14789	2.4
261.22147	7.4
265.14423	21.6
269.11823	2.8
271.13324	8.2
275.12744	3.8
277.73087	2.5
279.23190	17.1
287.12759	9.2
289.14380	5.7
297.24359	3.1
301.14050	2.5
309.14703	3.1
309.18399	2.3
317.13995	3.1
325.18082	2.4
327.15988	3.2
335.15021	7.7
351.19559	2.9
353.17487	2.3
371.18481	4.2
371.22842	7.5
372.23065	4.1
381.16748	2.4
395.18652	3.6
399.17944	4.3
407.18564	13.6
419.20682	9.0
421.33118	4.7
423.17868	5.1
425.19571	30.9
443.20703	4.0
447.21323	3.6
465.22827	16.7
474.63232	2.2
475.21021	4.4
483.23642	7.5
493.22195	28.5
511.23038	7.4
517.25781	11.3
535.26923	22.5
536.26727	2.3
553.27905	6.2
571.28864	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.5
55.01867	3.9
55.05517	14.4
57.07080	3.9
59.04996	3.3
63.24305	2.6
67.05511	18.6
69.01967	22.8
69.02374	5.1
69.03445	5.8
69.07063	9.4
71.05022	7.1
72.17598	2.4
79.05500	25.6
80.08329	2.3
81.07056	18.9
83.01320	3.3
83.04998	7.3
89.06031	13.4
91.05475	9.3
93.07059	15.9
95.04986	8.1
95.08614	14.2
97.06546	10.9
103.05529	2.5
105.07040	12.3
107.04945	13.4
107.08607	14.5
109.10153	6.8
111.08098	3.5
113.06030	8.8
117.07051	4.1
119.08601	11.1
121.06502	11.3
121.10155	10.4
123.08084	5.1
123.11781	4.7
125.09613	3.1
129.07066	2.7
131.08559	8.0
133.06499	3.7
133.08630	7.0
133.10159	8.2
135.08038	14.1
135.11710	4.9
137.06064	5.2
137.09622	5.4
139.11246	7.7
141.05455	4.4
141.07008	2.8
143.08650	2.8
145.06493	4.5
145.10136	5.1
147.11768	3.2
149.05960	4.7
149.09650	8.7
151.11195	4.6
153.05498	10.2
157.10170	3.1
159.08089	10.2
161.09641	5.4
161.13374	2.7
163.07600	8.4
165.05524	3.1
165.09090	4.3
167.03392	2.7
167.10669	4.3
169.10098	3.3
173.13245	3.4
175.07574	4.7
177.05505	4.0
177.09070	13.3
177.11259	6.0
187.07515	6.2
187.11145	3.9
191.07051	10.5
192.07777	3.4
193.08611	18.0
201.09132	3.5
203.78601	2.7
205.08559	20.2
209.08058	4.0
211.09683	12.0
219.10196	6.1
221.08072	4.5
223.09627	4.9
225.09135	2.8
229.08675	6.0
229.12096	3.8
237.14850	23.5
239.10684	6.1
245.11798	4.3
247.09630	29.2
247.13356	5.4
253.12331	6.6
257.11804	10.6
259.13519	4.7
264.80280	2.7
265.10757	14.6
265.14392	4.4
271.13379	11.6
275.12827	10.7
279.16064	3.6
281.11743	4.6
289.14102	2.7
297.10950	3.2
299.12756	19.3
301.14594	5.0
317.13831	34.6
317.63562	3.2
319.15497	3.7
327.83282	2.9
335.14880	96.5
336.15259	9.1
371.18430	6.7
385.16309	3.8
389.19498	31.6
390.15918	3.2
401.37247	3.3
429.22784	5.1
450.85553	2.8
483.23209	4.2
486.98767	2.7
501.24780	11.7
535.27142	5.6
553.27985	28.3
554.27808	3.6
571.28992	100.0
572.29382	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	571.3777
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
55.05507	5.5
57.07071	3.8
63.02373	0.7
67.05501	8.5
69.07067	8.9
71.08610	1.0
79.05478	8.5
81.07050	24.2
83.08631	4.4
89.03918	7.7
89.06033	7.8
90.06364	1.1
91.05473	7.9
93.07040	18.5
95.04965	1.2
95.08006	1.5
95.08600	25.0
95.09208	1.3
97.10162	2.1
98.38817	0.7
105.07030	12.0
107.04942	2.8
107.08581	23.2
107.86140	0.8
108.08871	0.7
109.06563	0.7
109.10149	8.4
111.11724	1.0
115.05413	0.8
117.03376	8.1
117.07010	3.1
119.08586	13.7
121.10132	15.7
123.11720	4.3
128.06204	0.8
129.07005	2.1
131.08553	6.6
133.08624	3.5
133.10120	17.8
134.08989	0.7
135.04413	17.7
135.11668	7.8
137.13229	4.9
143.08530	5.2
145.02837	12.8
145.10124	13.2
147.04451	0.7
147.11670	12.2
149.13243	25.1
150.13501	1.0
155.08510	1.6
156.09265	1.3
157.10133	6.4
159.11687	9.1
161.13281	6.8
163.03894	100.0
163.14804	33.7
164.04216	3.0
164.15187	1.5
169.10123	2.2
171.11678	6.4
173.13219	4.7
175.14825	7.1
177.11189	1.8
177.16365	7.9
181.04933	1.8
183.11623	1.9
184.12506	0.8
185.13202	4.3
187.14824	13.0
189.16351	10.4
191.17918	2.3
197.13214	1.2
199.14789	6.3
201.16377	8.3
202.76878	0.8
203.17902	11.9
211.14775	1.9
213.16389	5.4
215.17957	12.9
217.19473	2.0
225.16389	2.5
227.17886	6.6
229.19534	7.7
239.17902	2.6
241.19476	15.0
243.20978	4.0
253.19473	3.9
255.21043	19.7
256.21378	1.4
267.21057	5.4
269.22549	6.9
281.22656	1.3
295.24261	0.9
321.25754	1.4
349.28958	0.8
350.94934	0.7
391.33539	28.9
392.34009	2.7
421.23651	0.9
447.25302	11.0
448.26324	1.0
571.37811	22.2
571.46521	1.9
572.37799	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.379
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99002	1.3
55.05507	6.0
56.05840	1.2
57.07088	2.2
61.80237	1.5
63.75597	1.4
67.05502	12.9
69.07055	10.8
69.41963	9.8
70.06584	1.9
72.51922	1.5
79.05482	11.0
81.07045	25.8
81.27602	1.6
83.08603	7.1
89.03909	7.6
91.05470	11.5
93.07039	20.4
95.08602	25.0
98.23295	2.1
105.07011	18.6
107.04963	3.5
107.08579	20.5
109.10152	8.7
117.03342	8.1
117.07027	3.4
119.08569	18.1
121.10130	14.7
123.11694	5.2
129.06982	2.2
131.08556	7.4
133.10107	18.7
135.04408	18.5
135.11688	7.6
137.13231	6.2
143.08585	6.9
145.02829	11.7
145.10097	15.6
147.11688	12.4
149.05992	4.7
149.13234	24.8
157.10092	7.7
159.11708	10.6
161.13289	6.6
163.03886	100.0
163.14807	33.7
164.04237	3.3
169.10170	3.2
171.11635	6.9
173.13249	5.6
175.14809	7.0
177.16350	7.6
181.04875	2.3
183.11711	1.9
184.07283	1.8
185.13216	4.6
187.14804	13.3
189.16389	10.9
191.17946	4.0
197.13292	2.7
199.14796	5.0
201.16397	8.4
203.17906	9.5
204.18301	1.7
211.14828	2.1
213.16405	5.7
215.17934	12.0
217.19431	2.6
225.16341	2.4
227.17889	5.4
229.19536	6.3
239.17984	3.2
241.19421	13.6
243.21130	5.3
253.19469	2.6
255.21078	17.8
256.26355	1.9
257.26712	2.3
267.21024	4.6
269.22638	5.9
273.18826	1.6
341.10278	3.3
342.10602	3.3
375.28790	1.6
391.33496	25.3
392.33823	2.6
447.25275	8.9
571.37903	18.5
572.37152	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.3
55.05502	5.5
57.07064	1.5
63.02384	0.8
65.03930	0.9
67.05502	10.5
69.07059	13.0
76.73938	0.7
79.05492	10.3
81.07053	28.0
83.08614	4.7
89.03905	11.5
91.05471	10.2
93.07037	20.9
95.04953	2.7
95.08010	1.7
95.08598	30.3
97.10149	1.4
105.03350	1.3
105.04488	0.8
105.07026	17.7
107.04958	2.2
107.08585	29.0
109.10139	12.0
117.03387	11.4
117.07022	3.2
119.08580	17.7
121.10135	15.3
123.11710	4.1
128.06192	0.9
129.06982	2.0
130.07802	1.1
131.08560	9.5
133.10118	18.3
135.04405	25.3
135.11682	7.5
137.13217	4.9
141.06975	0.9
142.07672	1.1
143.08557	6.0
144.09258	1.1
145.02837	17.7
145.10123	16.5
147.11670	13.7
149.05940	2.3
149.13246	22.2
150.06293	1.2
155.08463	1.1
156.09363	1.3
157.10138	9.1
158.10942	1.4
159.11673	13.9
161.13269	7.0
163.03893	100.0
163.14804	32.2
164.04216	3.6
164.15077	1.0
169.10127	2.3
171.11679	8.7
172.12308	1.0
173.13275	6.3
175.14769	6.1
177.16396	7.4
181.05008	1.7
183.11742	2.2
185.13239	4.6
187.14803	11.6
189.16382	9.3
191.17918	2.5
193.05144	0.9
197.13185	2.1
199.14833	5.7
201.16356	8.8
203.17987	8.3
204.18417	0.9
209.56511	0.9
211.14835	2.3
212.15483	1.0
213.16379	4.2
215.17946	7.4
225.16371	2.1
226.17006	0.9
227.17941	4.8
228.18669	1.1
229.19498	5.6
239.17984	1.8
241.19469	11.2
242.19923	0.9
243.21053	3.9
253.19402	2.8
255.21069	18.8
256.21475	1.1
256.26331	1.4
257.22607	1.1
257.26608	1.5
267.21072	4.0
269.22635	4.5
281.22565	1.3
342.10574	2.1
349.28763	1.5
354.22720	0.7
387.59579	0.8
391.33542	19.8
392.33603	1.7
421.23566	1.2
447.25363	7.0
571.38019	13.9
572.38208	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.2
55.01869	10.7
55.02105	2.7
55.05264	3.5
55.05512	64.1
56.05848	2.8
57.03455	3.6
57.07077	37.5
59.05008	3.3
63.30942	2.6
67.05505	94.5
67.46703	2.7
69.03423	8.5
69.07070	64.2
70.07401	3.1
71.04995	19.9
71.08636	24.6
79.05492	64.0
81.03406	3.0
81.07059	100.0
82.07405	3.1
83.04975	12.3
83.08620	41.6
85.06525	6.5
85.10181	14.4
87.04442	3.9
89.06033	47.1
90.06377	9.9
91.05475	26.9
92.05724	3.0
93.07047	55.8
95.04957	11.5
95.08015	5.4
95.08608	78.9
95.09219	5.1
97.06526	18.1
97.10170	54.6
99.04467	3.9
99.08053	5.1
99.11742	3.3
105.07037	32.1
107.04963	7.0
107.07915	4.7
107.08594	49.3
108.08936	5.4
109.06504	9.2
109.10162	47.0
111.08082	7.8
111.11707	3.2
113.13246	3.8
115.07533	3.3
117.06986	14.2
119.08585	27.9
121.06486	4.7
121.10145	34.3
123.08102	8.6
123.11700	15.2
125.09637	45.3
127.11246	3.3
129.07025	3.3
131.08591	21.5
133.08632	26.8
133.10120	18.9
134.08936	5.1
135.08051	9.9
135.11707	20.8
137.09563	6.4
137.13232	4.5
139.11180	9.8
141.06966	2.7
141.09196	2.7
143.08548	4.9
145.10129	19.7
147.04475	3.9
147.08015	4.9
147.11719	14.9
149.09608	9.7
149.13228	8.8
151.11139	9.1
153.09111	19.7
157.10168	4.7
159.08113	4.5
159.11688	14.1
161.09549	3.5
161.13261	12.3
163.11191	3.6
163.14890	5.4
169.10019	3.7
169.42824	2.6
171.11589	5.1
173.11833	4.2
173.13283	9.3
175.11124	3.0
175.14806	7.3
177.09082	2.9
177.11211	10.1
177.12674	4.4
179.07011	3.6
185.13234	4.6
187.13303	3.1
187.14830	6.8
189.11217	45.9
191.07010	5.4
191.14206	3.0
193.08635	3.5
203.14461	5.2
205.08601	3.6
221.13727	2.8
221.15434	23.6
223.17094	3.2
231.10037	5.1
237.14821	6.7
239.10760	3.4
239.16411	11.7
243.21095	12.0
247.09668	3.6
249.11288	8.0
261.22180	20.0
265.10733	3.6
275.20166	3.8
277.21466	4.0
279.23193	54.9
291.19608	5.1
297.24207	25.4
299.12668	5.2
317.13635	4.4
335.14789	12.8
395.29468	4.7
403.32150	3.0
413.30423	12.6
431.31592	45.6
449.32617	15.6
499.37836	5.1
517.38861	18.4
535.39862	16.6
553.28027	4.2
553.41132	2.9
554.43500	5.8
571.28992	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	572.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.1
70.62505	2.2
77.33379	0.8
79.05487	3.5
81.03394	1.2
81.07026	0.9
81.39938	0.8
85.02899	3.5
91.05471	3.5
93.07014	0.8
94.04177	2.2
95.04956	1.5
101.60322	0.8
103.05471	7.5
105.07021	6.1
107.04921	4.5
109.02866	1.3
109.06493	1.6
115.05486	2.1
119.04922	1.7
121.02891	2.0
121.06496	1.6
122.03653	7.3
123.04436	3.9
124.05247	0.9
127.03819	0.9
128.06227	0.9
129.06964	1.0
131.04932	12.7
133.06500	5.1
135.08015	5.2
137.05975	100.0
138.06296	3.6
139.03879	1.4
141.07121	0.9
143.04976	1.0
145.06500	1.6
147.04395	1.7
147.08018	2.7
149.05991	1.4
151.07524	9.2
152.04710	1.6
153.01810	2.3
160.05214	1.0
161.05977	8.4
163.07538	34.4
164.07860	1.9
165.09120	1.1
167.07034	63.9
168.07375	1.9
171.08032	1.6
174.06721	1.6
175.07521	6.0
177.05482	1.0
177.09113	6.8
179.07031	2.4
181.05023	2.1
181.08571	1.4
187.07538	2.6
189.09077	2.0
193.08629	11.7
195.75603	1.1
201.09015	1.6
203.06810	1.5
203.10628	4.4
219.10193	3.6
221.08054	1.9
221.11668	2.2
233.09676	1.7
233.11661	1.9
243.19864	0.9
251.12732	1.0
258.26492	1.0
293.11639	2.7
299.09091	1.7
325.14304	13.4
357.13406	2.1
357.17017	20.4
358.17065	2.0
375.18042	13.1
376.18646	1.0
402.89493	0.9
456.53793	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.2
56.40629	1.1
67.50462	1.0
69.03440	1.2
71.32568	1.6
72.46859	1.0
74.09706	1.6
77.97049	1.2
79.05482	3.4
85.02924	2.2
91.05476	5.0
93.07031	1.4
94.04167	2.6
94.09258	1.1
103.05465	9.4
105.07030	5.1
107.04955	5.4
109.06551	1.7
115.05460	2.2
121.02863	1.4
121.06525	1.4
122.03607	6.9
123.04445	2.9
123.08126	1.8
124.05230	1.8
127.03887	1.7
131.04930	12.7
131.08632	1.3
133.06493	4.8
135.08025	6.1
137.05966	100.0
138.06323	2.5
139.03896	1.4
143.08568	1.8
145.06435	1.5
147.04385	1.9
147.08075	2.0
151.03899	2.7
151.07556	9.8
153.01831	4.4
161.05962	9.5
163.07520	33.3
163.08862	1.8
167.07025	63.1
168.07370	2.8
175.07455	7.3
177.09126	9.6
179.07065	2.7
181.04930	2.1
181.08638	1.8
187.07521	3.2
189.09097	4.5
193.08580	14.5
194.09196	1.4
201.09119	1.5
203.10686	4.0
207.10130	1.4
219.10236	2.5
221.08098	3.0
221.11713	3.1
233.09648	1.7
233.11758	2.7
267.69437	1.5
293.11636	2.1
299.09177	1.4
325.14206	12.4
357.13220	2.9
357.16953	27.5
375.18030	16.5
376.18301	1.6
414.93530	1.4
545.32861	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.27
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.2
55.44580	3.4
57.03412	4.2
69.03411	5.2
69.51927	3.9
69.63496	21.5
79.05487	11.4
81.07036	6.4
85.02883	9.5
91.05483	27.5
93.07041	14.4
95.08594	5.0
97.02876	5.3
97.06522	4.9
103.05464	7.3
105.07017	13.1
107.04955	21.4
107.08541	6.5
109.06537	8.3
114.18942	4.3
119.04939	28.4
119.08565	6.4
121.02944	4.2
121.06480	9.6
121.10171	7.3
123.04365	6.6
123.08068	7.0
125.05978	4.2
126.38721	4.0
127.03887	4.8
129.02213	4.1
131.08546	6.4
133.06494	10.2
135.08058	7.4
136.05157	7.2
137.05945	8.9
145.10172	5.4
146.07265	5.9
147.04324	7.5
149.05959	9.5
149.09666	4.3
151.03911	9.8
151.07536	43.9
152.08012	4.5
153.05472	46.5
157.26357	3.9
159.08076	4.9
163.07498	24.6
165.05502	6.4
165.09102	13.3
165.12679	4.0
167.07018	12.6
174.99142	4.7
177.09099	11.4
178.09904	39.3
179.05536	8.8
179.07010	100.0
179.10522	9.3
181.08580	9.8
183.79314	4.5
184.07117	12.0
187.07501	21.2
191.07018	14.6
193.08614	14.0
195.10048	5.2
197.08093	68.9
197.09843	5.0
205.08620	7.7
219.10173	15.2
223.09639	10.4
237.11192	38.1
322.58374	4.8
357.16843	11.9
375.17935	16.9
403.90594	4.7
422.57751	4.4
572.25970	7.7
573.28143	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	572.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.3
56.64766	0.2
57.60322	0.2
64.03138	0.2
65.45153	0.2
69.49025	1.4
78.04706	1.3
79.05486	0.7
85.02898	0.6
87.17011	0.2
87.96222	0.2
90.89717	0.2
91.05460	0.4
93.07018	0.4
96.05769	0.2
97.02885	0.2
105.07006	0.7
106.04156	0.8
107.04942	1.2
112.04720	0.2
121.06519	0.4
122.03649	0.5
123.04424	3.0
124.05222	1.1
131.81520	0.2
133.06450	0.6
134.03732	0.2
137.05969	7.8
149.05945	0.6
151.03886	0.5
152.04671	0.9
153.01790	0.7
161.05907	0.6
163.07535	0.2
165.46671	0.2
167.07022	100.0
168.07356	3.0
179.06937	0.4
181.08578	1.4
193.08597	3.5
211.09633	15.1
212.09927	0.4
398.43945	0.2
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
55.24914	0.5
69.03428	1.4
70.47022	1.5
74.35818	0.4
74.99100	0.5
78.04716	0.6
79.05482	0.9
81.03452	0.6
81.07050	0.5
85.02895	1.6
88.10019	0.5
89.00674	0.5
91.05492	1.0
93.07042	1.1
95.04956	1.3
97.02878	0.7
103.05466	0.6
103.12691	0.5
105.03397	0.5
105.07002	1.2
106.04147	0.7
107.04940	1.1
107.08608	0.7
121.02897	0.6
121.06526	1.0
123.04439	3.8
124.05160	0.7
127.03880	0.7
131.08568	2.3
133.06493	0.8
135.04453	0.6
137.05983	2.4
139.03870	0.8
145.10126	1.0
147.04399	0.7
149.05965	0.8
149.09557	0.9
151.03914	1.6
151.07568	0.7
152.04633	1.1
153.01871	3.3
153.05460	0.9
161.05972	1.0
163.07510	0.7
163.11157	0.6
165.09094	0.8
165.33997	0.5
167.07040	100.0
168.07365	3.1
177.05429	0.5
177.09114	2.2
179.07043	1.0
181.04971	0.8
185.17143	0.5
191.10649	0.7
191.50119	0.5
193.08618	6.3
205.12126	0.7
211.09656	15.0
212.10004	1.1
221.11682	0.6
223.13297	1.5
415.41769	0.5
513.24017	0.5
572.25269	1.7
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
55.01878	0.9
61.36032	0.4
65.37640	0.4
67.05501	0.5
68.10663	0.4
69.03437	1.1
69.07052	0.5
70.06574	0.5
71.31778	0.8
71.32155	0.6
79.05499	1.9
81.03404	0.9
85.02922	1.6
91.05484	1.8
93.07058	1.1
95.04969	0.7
97.02922	0.8
103.05471	1.5
105.07030	9.1
106.04156	0.5
107.04985	0.6
107.08591	0.9
109.02924	0.7
115.05468	1.6
116.08186	0.4
117.07039	2.3
119.04968	1.2
119.08572	0.4
121.02866	0.8
121.06496	1.3
121.10139	0.9
123.04451	2.1
123.08084	1.2
127.03986	0.7
129.06960	0.5
131.04958	0.6
132.05701	0.7
133.06491	9.1
135.08081	1.1
137.05986	1.5
139.03886	0.9
143.06044	0.6
143.08510	0.8
145.06447	0.7
149.05946	0.7
149.09634	0.9
151.07558	6.3
153.05498	0.8
160.05199	0.8
161.05977	8.9
162.06757	1.5
163.07512	0.6
167.07033	11.4
168.07205	0.6
171.08041	0.6
175.07545	1.9
177.09109	100.0
178.06255	0.7
178.09468	4.3
179.07040	0.9
181.08635	0.8
183.06546	0.5
189.09183	0.8
191.07094	0.6
193.08604	57.3
194.08917	2.5
195.10175	5.5
203.10632	1.1
212.96863	0.5
221.11722	28.6
222.12065	1.3
225.19980	0.4
257.25217	0.5
294.42566	0.4
357.16776	0.6
361.12820	0.4
375.13800	0.8
375.17990	2.8
472.22284	0.5
572.27179	0.5
573.29156	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	4.6
57.03437	8.0
64.37170	4.0
69.03416	5.1
75.30038	3.5
79.05480	7.2
81.03432	8.5
85.02901	11.7
85.98056	3.3
91.05462	23.9
93.07050	16.4
97.02888	4.3
97.06538	6.1
103.05474	15.9
105.07030	17.2
107.04945	30.3
109.02908	4.6
115.05474	4.5
117.06965	5.4
119.04964	21.7
121.02857	3.9
121.06499	52.6
121.10142	4.6
123.04383	6.5
123.08150	3.9
131.04909	3.7
131.08670	4.6
133.06464	6.5
135.04416	7.9
135.08061	12.0
136.05231	4.3
137.05995	15.9
145.06517	3.9
146.07295	4.3
147.04417	28.6
149.05978	80.6
151.07547	51.6
153.05469	63.5
159.08073	4.6
161.05989	6.4
162.06795	8.7
163.07526	47.7
165.05521	8.8
165.09137	14.3
167.07082	11.4
173.05971	5.5
177.09119	8.8
178.09891	52.2
179.07040	100.0
179.10567	4.2
181.08589	81.3
182.08975	3.9
187.07535	16.4
191.07022	14.7
193.08647	16.2
195.47534	3.6
197.08084	81.5
204.07866	3.7
205.08690	9.2
219.10161	11.6
220.87979	4.2
223.09679	28.4
237.11244	60.0
257.47278	3.5
357.17053	5.4
375.18018	80.9
572.25946	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	572.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.9
53.92019	0.8
69.03424	1.2
69.07054	1.0
70.52296	1.2
70.52637	1.1
76.87989	0.7
79.05486	2.0
81.03413	1.6
81.07042	0.9
85.02892	1.9
91.05473	2.0
93.07046	1.7
94.04194	1.9
95.04912	0.9
97.02866	1.1
97.06536	1.3
98.22683	1.0
103.05473	1.4
105.07050	1.9
107.04963	1.7
107.08560	0.8
109.02859	0.9
111.04406	1.0
121.02879	2.2
121.06498	0.9
121.10135	0.9
122.03642	4.0
123.04446	1.4
131.04985	1.2
131.08600	0.8
131.17126	0.7
133.06502	1.7
135.08057	1.1
137.05975	100.0
138.06308	2.9
138.27390	0.7
139.03937	1.8
151.03900	1.2
151.07549	3.3
153.01860	1.3
159.08136	1.3
163.07530	4.8
163.11250	0.8
165.09036	0.9
167.07042	5.4
175.07561	0.9
176.76430	0.7
181.05054	0.8
181.08603	8.2
193.08649	2.3
195.10152	0.9
211.09583	5.4
213.11212	4.5
221.11668	0.9
265.95456	0.8
269.11774	0.9
280.59311	0.7
297.11328	1.6
328.84320	0.8
375.14557	1.2
572.24213	5.6
573.29108	4.9
587.90576	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
57.77907	9.1
60.13344	9.8
67.05490	12.7
69.23275	17.9
69.23664	75.1
74.76089	10.7
79.05491	12.8
81.07087	15.6
91.05479	15.5
93.07075	12.9
95.08594	12.4
105.07047	14.1
107.04958	28.5
107.08613	11.9
131.08571	16.6
141.15396	11.6
159.08055	16.7
163.07600	20.4
192.27448	10.7
214.79393	10.7
219.10115	23.0
225.09125	15.6
246.74777	9.9
253.12222	14.2
313.14371	34.3
315.12189	19.3
341.13797	100.0
376.27615	11.6
457.50674	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	572.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.2
53.03938	4.2
55.01867	1.3
55.05509	4.1
57.03436	4.6
59.05000	0.8
67.05495	4.5
69.03432	10.1
69.07064	2.3
69.14981	6.0
71.04996	1.9
75.04484	7.0
79.05488	21.8
81.03426	7.8
81.07062	8.0
83.04974	2.2
85.02896	8.4
85.06530	9.2
91.05476	18.4
93.07041	100.0
94.07368	2.8
95.04951	5.2
95.08598	4.2
97.02883	5.8
97.06519	1.6
99.04465	2.4
105.04513	1.7
105.07017	11.6
107.04974	2.8
107.08588	18.9
108.08957	1.2
109.02882	3.7
109.06510	1.5
109.10170	2.5
111.04446	3.2
111.08077	6.3
114.17911	0.9
117.06974	2.8
119.08579	13.0
121.02745	1.1
121.06530	4.3
121.10141	97.6
122.10471	3.1
123.04368	0.9
123.08066	2.6
123.11726	1.9
125.06023	1.5
127.03926	5.5
129.07021	1.6
131.08557	11.2
133.10146	2.7
135.11714	1.2
137.05971	1.5
139.03964	0.9
139.11182	3.5
143.08548	1.0
145.04942	2.3
145.06468	0.9
145.10141	4.4
147.11743	1.4
149.05965	1.0
149.09615	29.6
150.09961	1.2
153.01830	4.7
153.05524	1.7
157.10164	1.6
163.07462	1.9
163.11224	2.6
165.09172	1.2
167.09224	1.7
167.10672	33.7
168.11046	0.9
181.08641	2.1
187.11217	1.0
191.10669	8.5
209.11729	11.8
215.14450	0.9
227.12758	20.0
275.12772	2.0
293.13736	3.7
311.14871	21.4
357.20813	1.4
549.00409	1.0
572.27039	5.8
573.29510	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2303
Annotation	Kadsurarin
Peak:m/z	Relative Intensity
61.35931	0.2
67.05499	0.5
67.24397	0.3
70.44521	0.5
70.44913	0.5
71.61497	0.3
75.88042	0.2
79.05489	0.3
81.07047	0.5
91.05473	0.4
93.07034	0.8
95.04982	0.3
95.08608	0.4
105.07037	0.5
107.08593	0.4
109.10149	0.3
112.61485	0.3
121.06516	0.3
147.24126	0.3
167.07053	1.6
168.07510	0.3
181.08623	2.3
185.04247	1.0
240.59384	0.3
243.09956	1.0
255.28082	0.3
257.52603	0.3
290.96686	0.3
346.96860	0.3
395.14627	6.5
396.15048	1.1
410.16968	1.0
411.17767	9.9
412.18054	0.8
555.29169	0.3
573.23004	100.0
574.23303	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	573.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.5
53.03950	2.0
55.01852	1.0
62.27932	0.3
65.03934	0.5
67.05497	0.7
69.24716	2.3
69.25127	0.7
75.67889	0.3
79.05481	1.4
81.07032	0.8
83.08608	0.5
91.04916	0.8
91.05468	10.7
93.07032	8.7
95.04951	2.9
95.08598	1.0
103.05457	7.0
105.04501	1.0
105.07021	1.1
107.04924	0.6
107.08573	0.6
109.10165	0.4
111.04379	0.4
119.04887	1.4
119.08584	0.5
120.05681	1.3
121.06497	14.3
123.04417	1.9
124.05116	0.4
131.04945	0.6
131.06026	0.5
133.02859	0.5
133.06435	0.7
135.07983	0.4
137.05951	1.1
138.06729	1.2
139.03885	0.3
139.07500	0.4
140.04659	0.4
146.15564	0.3
147.04385	0.8
148.05162	1.6
149.05954	5.7
151.03888	1.7
151.07478	0.7
154.06232	0.6
155.07108	0.5
163.36310	0.4
166.06259	7.2
167.07042	2.3
177.05444	0.8
178.06181	0.4
179.07008	1.0
181.08574	100.0
182.08965	3.5
183.06464	0.5
193.08571	0.7
205.04677	0.4
209.08078	3.1
210.08841	0.8
211.09639	0.5
287.22104	0.4
324.20877	0.4
345.13043	0.9
347.14798	1.8
405.52957	0.4
431.69797	0.4
573.23059	1.5
573.48572	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05479	0.5
55.41905	0.3
57.07072	0.5
67.05502	0.8
69.07046	0.5
69.64510	1.8
71.08652	0.3
79.05505	0.8
81.07052	0.8
83.08623	0.3
86.02733	0.3
89.95049	0.3
91.05479	1.1
93.07026	1.1
95.08607	1.0
98.22565	0.3
99.04449	0.3
101.35905	0.3
101.37722	0.4
105.07031	0.6
107.08594	0.4
108.61112	0.3
109.51115	0.3
121.06511	0.6
121.10181	0.3
127.70424	0.3
131.25273	0.3
136.37868	0.3
149.05974	0.5
151.03888	1.0
151.07706	0.3
158.87465	0.3
162.43059	0.3
162.79869	0.3
166.15796	0.3
167.07062	2.9
168.70419	0.3
180.49007	0.3
180.84717	0.3
181.08578	2.9
185.04167	0.7
200.33156	0.3
243.09991	0.5
395.14651	6.8
396.15616	0.6
410.17090	1.4
411.17734	11.5
412.18079	0.8
573.22986	100.0
574.23328	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	573.3772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.1
55.05516	25.4
57.07071	30.5
58.83906	4.9
67.05507	51.5
69.07063	27.6
69.29666	31.3
69.30061	9.6
69.30247	5.6
71.08638	22.4
79.05490	38.6
80.46875	4.5
81.07054	74.3
83.04989	8.7
83.08605	21.8
85.06529	4.8
85.10194	11.5
91.05478	30.8
93.07048	56.4
95.04973	9.4
95.08601	100.0
97.06555	5.6
97.10194	11.1
105.07034	51.1
107.08596	66.2
109.06516	9.7
109.10162	54.6
111.08006	6.4
117.07034	12.3
119.08590	70.6
121.10132	53.7
123.11712	19.9
125.09608	13.4
129.07007	5.7
131.08568	21.7
133.10118	46.6
135.08006	6.4
135.11720	31.2
137.09615	7.4
137.13254	5.7
143.08533	11.5
145.10123	45.6
147.11708	27.9
149.13242	15.5
151.14873	4.7
157.10086	5.6
159.11673	35.0
161.13248	18.6
163.03912	12.9
163.14854	14.5
167.08521	4.7
171.11661	10.6
173.13245	21.1
175.14821	16.2
177.16379	11.5
187.14822	31.7
189.16440	40.8
191.14246	5.6
191.17934	37.1
199.14874	9.7
201.16399	41.9
203.17975	31.3
205.16013	5.9
208.55597	6.0
213.16385	17.1
215.17899	25.3
217.19511	7.2
219.17332	28.1
231.17728	5.0
231.21031	4.7
235.16940	15.5
239.23656	12.5
247.16986	18.7
255.20901	6.8
267.21103	11.2
313.27240	18.8
389.31586	7.8
407.33078	50.2
435.32501	6.1
453.33737	37.3
465.66486	5.2
549.78864	5.1
573.23987	10.9
573.32880	7.3
573.48529	22.5
603.78827	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	573.3783
Annotation	Ganoderic acid W
Peak:m/z	Relative Intensity
53.03939	10.0
53.81790	4.8
55.05500	31.0
57.07086	28.8
67.05504	50.9
69.07057	35.3
70.06591	6.1
71.08623	24.9
73.86571	5.4
79.05488	45.8
81.07056	73.6
83.04953	8.5
83.08617	17.7
85.10179	7.2
87.04449	6.8
91.05472	38.7
93.07053	62.4
95.04956	7.6
95.08599	100.0
97.06496	6.2
97.10141	7.0
99.08092	6.9
105.07025	55.8
107.08584	80.8
109.10154	53.8
111.08086	8.4
117.07012	12.1
119.08560	84.4
121.10138	56.5
123.08037	7.2
123.11710	22.8
125.09637	14.2
131.08545	29.6
132.41284	5.1
133.10114	49.5
135.11659	27.5
143.08549	13.2
145.10118	53.7
147.04430	6.1
147.11688	27.6
149.13254	18.2
151.11200	8.1
157.10049	11.2
159.11700	45.3
161.13298	26.7
163.03900	12.4
163.14807	19.1
173.13205	31.5
175.14839	18.8
177.12653	5.8
177.16379	15.7
187.14810	46.8
189.16357	62.0
191.14302	17.2
191.17863	16.8
199.14813	14.6
201.16365	99.5
203.17923	13.5
205.15802	13.3
213.16399	32.7
215.18005	26.9
217.15971	5.4
217.19472	12.1
219.17467	44.4
227.17845	6.4
235.16891	28.7
243.21130	6.0
247.16887	10.3
259.20544	6.1
261.18375	9.3
261.22177	5.8
269.22174	7.1
281.22549	7.6
313.27325	11.3
380.71231	5.7
389.31897	11.6
407.32944	62.7
408.33264	6.8
409.34747	11.2
435.32367	20.9
453.33493	62.4
458.10129	6.1
523.69513	6.6
573.34430	7.0
573.48773	30.5
599.48572	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	573.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.2
55.05514	18.7
57.03455	2.0
57.07066	14.6
67.05499	37.0
69.07067	26.9
69.91359	10.8
71.08617	8.8
79.05498	29.3
80.15534	2.2
81.07052	53.6
83.08611	14.8
85.10169	3.4
87.04466	9.4
89.03912	8.3
91.05471	37.0
93.07043	38.7
93.65430	2.0
95.04983	4.9
95.08603	75.9
97.10146	4.9
104.11875	2.1
105.07025	47.6
106.07319	2.7
107.04955	2.2
107.08584	42.6
109.10144	34.3
111.08068	3.7
111.11704	3.1
117.03382	15.2
117.07006	4.9
119.08572	47.1
120.07768	2.0
121.10136	36.5
123.11696	14.7
123.57967	2.2
124.15883	2.2
125.09578	2.3
128.84406	2.2
129.31931	1.9
129.55833	2.2
131.08577	9.1
133.05193	2.1
133.10124	50.1
135.04393	22.9
135.11687	27.5
137.13257	8.8
143.08603	2.8
145.02823	18.8
145.10106	15.5
147.11671	35.6
149.13260	15.3
157.10110	5.5
159.11667	12.4
161.13235	22.8
163.03893	100.0
163.14856	11.1
164.04198	3.6
169.80713	2.2
171.11662	3.7
173.13261	7.9
175.14761	14.3
177.05492	3.4
177.16397	8.7
181.04944	3.1
183.93091	2.1
185.13341	3.4
187.14804	14.6
189.16376	97.7
190.16742	3.7
191.17928	26.7
201.16396	16.3
203.17928	25.2
213.16487	4.0
215.18021	5.2
216.03247	2.7
217.19571	5.4
227.17882	3.2
229.19588	4.0
231.21080	6.8
243.21121	12.5
255.20990	4.1
256.26428	4.2
257.22638	6.7
261.22079	3.5
269.22699	3.0
279.23111	2.9
311.74768	2.2
381.29565	2.5
393.35150	32.3
394.35419	2.8
438.16196	2.4
529.29047	2.2
573.38580	20.7
573.48340	13.7
574.37329	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	573.4516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.1
55.01867	19.6
55.05511	37.2
57.07078	24.9
65.03947	2.8
67.05509	97.0
67.05872	5.6
69.03413	3.1
69.07066	26.1
71.04992	7.1
71.08635	16.2
79.05497	74.5
81.03408	3.2
81.07058	100.0
83.04977	9.1
83.08631	25.9
85.06554	6.5
85.10182	13.0
87.04495	7.0
91.05484	59.3
93.07046	96.0
95.04978	7.2
95.08609	73.0
95.09217	3.1
97.06545	10.0
97.10188	9.6
99.08092	6.0
101.09644	2.5
105.07035	43.5
107.04955	4.0
107.08602	57.8
109.06541	7.5
109.10162	29.6
111.08093	26.2
113.09685	14.2
117.07047	12.0
119.08567	28.6
121.06520	3.7
121.10147	42.5
123.08096	4.0
123.11698	13.4
129.07010	3.9
131.08566	22.9
133.10130	25.3
135.11696	22.9
137.09604	4.8
137.13278	5.6
139.11188	4.2
143.08562	3.2
143.37263	2.8
145.10124	16.7
147.08046	3.4
147.11693	22.9
149.09656	8.5
149.13271	23.4
151.11177	6.2
151.14845	4.0
153.12759	5.2
157.10182	4.9
159.11705	12.5
161.13274	12.8
163.11218	5.4
163.13663	2.3
163.14795	12.5
165.12785	16.7
173.13283	11.6
175.14833	5.3
177.12698	3.5
177.16420	4.3
179.14317	4.5
185.13306	3.6
187.14885	5.7
211.09625	3.5
225.11208	12.3
233.22704	4.4
241.19595	5.3
243.21092	22.1
257.11670	2.6
259.20538	7.9
261.22156	55.4
275.20056	3.4
277.21674	60.3
278.22009	3.8
279.23135	4.5
295.22559	12.6
317.25046	3.1
519.42456	3.2
537.42401	6.5
555.29510	3.6
555.43848	11.3
573.49274	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	573.4874
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95858	2.4
53.03946	7.0
55.05510	31.6
57.07075	69.4
58.47370	2.2
65.03938	6.0
67.05502	82.3
69.07072	25.8
70.04922	9.1
71.04966	4.1
71.08630	44.4
79.05492	65.6
80.94851	4.1
81.07049	83.2
83.08622	23.8
85.06544	4.2
85.10178	24.4
87.04458	7.2
91.05472	41.5
93.07043	69.8
95.04960	4.8
95.08601	74.7
97.10172	11.1
104.99277	12.3
105.07014	19.8
107.08592	28.0
107.12136	2.4
109.10138	26.7
109.27039	2.3
111.11767	2.4
117.07010	9.3
119.08569	11.5
121.10133	23.2
123.11700	10.3
131.08592	12.7
133.10144	8.2
135.11696	15.4
137.13269	5.6
137.58063	2.5
145.10106	5.9
145.52614	2.3
147.11670	8.0
149.13281	7.6
151.14839	3.7
159.11664	5.3
161.13234	4.9
163.14902	3.6
164.72688	2.3
173.13275	6.9
186.99571	3.2
201.01929	2.6
221.22708	3.3
239.23720	12.1
243.20897	4.0
261.22083	13.1
263.70615	3.2
276.71744	2.6
317.24667	7.7
339.89392	5.1
359.06482	3.0
389.23373	2.5
409.89655	11.7
558.07410	2.7
567.90948	5.1
573.48706	100.0
574.48785	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	574.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	4.0
70.60316	1.9
71.40388	2.6
74.29600	2.0
79.05473	3.4
81.03417	4.2
85.02912	6.8
87.54458	1.9
91.05473	3.3
97.02897	4.0
97.06508	2.2
102.49919	2.0
105.07064	2.8
107.04956	27.3
110.05996	1.8
110.06785	2.5
117.07027	3.1
119.25336	2.1
121.06512	9.0
123.04409	3.0
127.03899	2.8
131.04915	2.6
133.06522	2.8
135.04442	9.3
135.08040	3.1
136.05241	2.2
137.06017	5.4
139.03900	62.1
139.04976	3.2
145.10141	4.1
145.41290	2.2
146.07298	5.6
147.04436	7.0
147.08057	8.3
151.03922	4.5
151.07545	13.7
153.05486	4.1
161.05971	6.5
163.03932	11.4
163.07542	33.5
164.08211	2.5
165.05490	7.1
165.09145	7.9
167.07097	3.3
177.05449	18.9
177.09096	14.2
178.09892	100.0
179.10641	18.1
185.05775	2.2
193.08636	2.2
203.07071	3.5
221.08051	3.9
236.40407	2.2
285.08218	2.2
285.11148	2.9
315.12241	9.2
329.14194	3.2
340.35526	2.2
341.13809	34.8
342.14380	4.1
359.14902	3.4
377.16074	3.2
575.22748	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	574.249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68913	1.4
59.63454	1.8
61.02919	3.1
69.34547	13.8
85.02872	2.8
87.57790	1.5
91.05501	4.8
96.25925	1.6
98.23239	3.7
103.05503	1.7
105.06921	2.2
107.04955	25.3
107.05608	3.3
112.60240	1.8
117.07040	2.7
119.04945	2.7
121.06500	6.1
135.04434	6.9
135.08099	4.6
137.05977	3.4
139.03897	61.2
145.06454	2.5
146.07260	7.6
147.04439	6.6
147.08061	11.5
151.03918	2.2
151.07500	11.6
153.05464	2.5
163.03931	11.2
163.07524	27.9
164.08337	1.7
165.05484	8.3
165.09100	6.4
177.05472	14.3
177.09113	14.2
178.09889	100.0
179.10612	16.4
181.05057	2.5
189.05502	3.5
191.07051	2.6
193.08606	2.9
195.10187	2.7
199.05940	2.5
203.07117	3.7
221.07991	3.3
262.26572	1.9
283.60876	1.7
295.09595	1.9
315.12219	11.1
323.12860	2.3
329.13824	4.8
341.13858	32.5
359.15277	2.9
377.15765	3.9
488.60132	1.9
547.48511	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
68.04443	5.5
69.62146	18.8
69.62555	13.3
70.06571	6.2
72.37593	6.0
83.63531	5.6
91.05471	12.3
98.22604	7.7
107.04951	7.8
115.05375	8.0
123.04449	8.3
131.04913	6.9
137.05949	42.0
146.07185	6.0
147.04366	6.9
151.03906	15.7
151.07555	12.1
161.05962	84.5
161.09624	20.5
163.07518	10.0
167.06995	9.3
175.07564	10.9
189.09157	36.5
207.08272	12.4
207.10150	100.0
219.08005	9.0
297.11108	16.9
304.45020	6.5
322.12177	6.9
327.12332	9.6
397.16449	18.6
479.20413	13.5
574.29114	9.6
575.20624	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33539	2.1
51.86440	2.5
61.61951	2.6
67.05490	3.5
69.13991	2.2
71.32830	2.6
79.05489	12.1
81.07034	3.9
91.05486	9.0
95.04957	5.3
103.05465	27.9
104.77126	2.6
105.07031	35.6
107.04955	6.8
107.08590	3.4
109.02854	3.0
113.25815	2.5
115.05456	7.6
117.07072	3.4
118.04144	3.7
121.06479	3.3
122.03626	6.0
123.99531	2.3
128.06261	3.7
131.04926	50.0
131.08650	3.1
132.05705	11.4
133.06497	30.3
133.10158	2.5
137.05975	48.1
143.06088	4.1
143.08522	3.4
145.06371	3.7
147.08083	7.0
148.05157	4.1
149.05997	5.8
151.03996	3.7
151.07564	5.4
160.05243	7.5
161.05971	78.5
161.09625	5.0
163.07536	99.4
167.07025	55.3
171.08052	4.2
175.07510	2.7
177.05472	10.8
179.07079	11.4
180.07895	3.1
181.08636	7.0
187.07474	15.2
189.09082	15.4
191.07011	16.4
192.07790	28.7
193.08588	100.0
194.09053	3.8
205.08592	15.4
207.06468	4.9
207.10220	5.5
209.08136	4.7
217.08617	2.9
336.32297	2.6
353.13705	17.8
355.15286	8.1
367.15662	3.1
371.15100	4.2
377.97714	2.7
379.15356	3.2
397.16232	12.8
407.80933	2.7
415.17532	4.3
484.73236	2.6
528.83014	2.7
574.20587	3.2
574.28845	8.8
575.17853	20.1
575.28229	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	574.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75510	4.8
68.40529	5.3
71.32932	9.2
79.05459	7.3
91.05492	15.2
95.04935	5.5
101.41758	5.7
104.90504	4.4
105.07031	9.3
107.04961	15.5
119.04955	12.6
122.03679	8.4
129.06970	10.5
131.04906	9.6
137.05972	86.1
137.09492	5.1
147.04395	9.6
147.07996	5.2
149.05986	8.1
151.03920	8.4
151.07553	22.6
153.01797	7.6
161.05980	89.8
161.09587	25.7
163.07523	12.9
165.09015	7.8
167.07042	15.4
175.07486	14.6
187.07579	7.8
189.09090	63.5
195.10147	5.4
207.10168	100.0
219.08163	7.8
219.10161	18.1
221.06056	6.2
225.09184	9.4
237.09050	9.4
253.08510	10.2
254.35413	5.7
255.06340	6.2
265.08609	15.2
267.10269	11.1
283.09564	5.8
285.11172	9.2
297.11240	26.8
309.11404	5.6
311.12830	8.1
313.14160	6.1
328.49130	6.5
329.13705	17.1
331.15173	25.4
337.14160	7.1
341.13562	6.4
355.15350	13.2
356.15805	5.9
479.20428	14.6
574.28668	14.0
575.20209	7.1
575.29614	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	574.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25909	3.2
58.78608	2.8
64.19758	3.0
67.05503	4.4
69.35975	7.1
69.36377	19.1
79.05480	4.6
81.07016	3.6
91.05485	14.0
93.07066	3.1
103.05453	3.7
105.07015	4.4
107.04950	5.5
117.07015	3.7
119.04942	7.5
121.06449	3.0
123.04476	4.1
129.06982	6.0
131.04897	4.1
131.08591	3.1
135.04459	3.7
135.08072	4.6
137.05956	51.8
142.11392	3.2
147.04395	3.4
149.06044	5.0
151.03940	7.9
151.07550	22.9
153.01903	4.4
161.05969	71.8
161.09651	14.5
162.06552	3.2
163.07549	10.1
165.06995	4.1
165.09093	3.7
167.07036	11.8
174.06743	4.5
175.07555	10.3
177.09006	3.7
181.04994	7.2
187.07524	6.1
189.05458	4.2
189.09087	38.4
191.08691	4.2
195.08104	4.3
195.10158	7.6
207.10156	67.9
209.31284	3.1
219.10107	15.6
234.06734	3.2
241.08617	4.0
253.08551	7.6
265.08652	6.5
267.10153	3.6
270.08408	4.9
285.11203	9.7
297.11276	18.8
298.12021	3.9
310.11667	4.1
311.12900	8.4
313.14413	6.1
319.07993	9.1
329.13715	14.6
331.15283	5.1
337.14258	7.2
355.15509	13.2
444.12173	3.3
461.71478	4.0
479.20691	10.2
565.70929	3.3
574.11115	3.8
574.27960	3.8
575.20996	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33476	1.4
53.03944	4.1
55.01871	2.3
55.05495	4.1
57.03427	4.1
61.02901	1.6
66.56307	1.5
67.05499	13.4
69.03424	11.0
69.07072	2.6
71.32935	2.4
75.04462	7.8
77.03902	1.8
79.05486	23.4
81.03410	12.3
81.07053	10.6
85.02897	8.1
88.15532	1.6
91.05476	20.3
93.07043	100.0
94.07355	2.7
95.04959	5.3
95.08588	5.3
97.02872	5.5
97.06507	1.8
103.05493	3.1
105.04510	2.1
105.07035	12.5
107.04939	3.0
107.08585	15.3
109.02877	6.0
109.06517	2.1
109.10147	54.3
111.04468	2.0
111.08067	7.8
115.05458	2.2
117.06999	3.7
119.08587	9.1
121.06507	6.4
121.10138	86.2
122.10445	2.2
123.04422	2.8
123.08047	2.8
127.03923	3.4
131.04906	2.0
131.08548	6.2
133.06483	3.7
135.08022	3.6
137.05951	5.3
137.09607	2.3
139.11191	4.8
145.04924	2.2
145.06454	5.5
147.08038	2.1
149.06001	2.3
149.09605	28.5
150.09956	1.9
151.03882	5.0
151.07545	6.3
161.05972	6.5
163.07494	3.2
167.07039	40.4
167.08467	2.3
167.10675	17.1
173.06012	3.1
175.07530	2.8
181.06964	2.3
181.08594	48.7
182.09044	1.9
184.75429	1.4
187.07431	1.7
189.09178	1.9
191.07001	6.9
193.08614	10.0
201.46053	1.5
205.08655	15.5
206.04501	2.9
207.10172	5.4
211.09605	5.7
213.09099	1.8
215.10603	1.6
223.09648	13.1
234.17336	1.7
239.09204	2.8
241.10629	8.2
245.11708	1.7
281.13870	5.5
293.13797	4.3
299.14856	17.4
301.10721	1.7
308.14337	1.6
311.14981	11.0
319.11679	3.8
337.12927	1.9
341.17633	1.7
357.15085	1.8
359.18243	2.5
383.27194	1.7
467.21039	1.6
503.22620	2.1
574.29523	2.1
604.02380	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.8
55.01864	1.7
55.05508	4.1
57.03436	5.7
57.03709	1.2
61.71011	1.3
65.03927	2.2
67.05507	14.2
69.03439	13.2
71.04975	1.6
71.32397	1.9
74.37143	1.3
75.04487	7.4
75.44320	1.2
77.12801	1.2
79.05492	21.6
81.03418	10.2
81.07053	12.0
83.05009	1.3
85.02920	7.6
91.05477	21.9
93.07048	100.0
94.07378	2.6
95.04982	6.1
95.08601	5.1
97.02890	9.0
97.06576	1.3
99.04423	2.1
103.05463	3.4
103.98545	1.2
105.04538	1.5
105.07033	13.6
107.04950	2.1
107.08595	14.3
108.58781	1.2
109.02883	4.7
109.06524	2.1
109.10155	54.3
110.10500	1.6
111.04477	1.5
111.08093	5.2
113.06027	2.6
115.05451	1.5
116.53134	1.2
117.07029	4.8
119.08583	10.1
121.06521	5.8
121.10146	87.2
122.10501	2.3
123.04459	2.7
123.08053	2.0
127.03936	5.2
129.06978	1.5
131.04945	2.2
131.08591	6.0
133.06490	4.9
133.10139	3.0
135.08063	2.5
137.05991	3.9
137.09656	4.1
138.06729	1.8
139.11162	2.7
141.24870	1.7
145.05040	1.3
145.06496	5.4
147.04369	1.9
147.08087	2.6
149.06009	2.7
149.09625	27.7
149.10808	2.0
151.03918	3.2
151.07562	4.9
153.01868	3.6
155.10667	2.9
157.06427	1.3
161.05991	6.7
161.09711	1.2
163.07610	2.8
166.06281	1.9
167.07036	39.9
167.10690	18.8
173.06058	3.8
175.07538	2.7
177.09082	1.3
179.07060	1.3
181.08598	47.3
189.09114	2.7
191.06969	6.7
191.10577	1.7
193.08542	9.7
205.08600	14.2
206.04494	1.5
207.10185	4.2
209.08151	2.0
211.09689	5.4
221.08156	1.8
223.09645	12.5
229.10776	3.5
235.09601	2.1
239.09218	2.9
241.10718	10.9
245.07942	1.7
247.09776	1.7
253.10875	1.5
267.13699	1.5
277.10730	1.9
281.13943	3.5
293.13867	3.9
295.11694	2.3
299.14908	18.3
309.14655	1.8
311.14948	13.5
319.11646	3.5
331.11905	1.6
333.53812	1.6
337.12921	1.9
343.79105	1.3
408.85599	1.4
448.48914	1.5
485.21576	2.0
503.22159	2.4
539.24585	2.0
574.28467	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	574.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.9
53.03942	7.2
55.01866	4.3
55.03032	1.4
55.05502	4.1
57.03439	4.1
65.03934	1.9
65.61318	1.5
66.99222	1.5
67.05508	17.9
68.99796	1.6
69.03431	10.8
69.07071	2.3
71.04991	2.7
71.36371	3.5
75.04483	7.4
77.92231	2.0
79.05499	25.2
81.03410	13.4
81.07061	11.2
83.04985	3.1
85.02905	11.1
87.04443	1.8
91.05466	22.2
93.07041	100.0
95.04950	8.6
95.08624	5.1
95.29141	1.6
97.02876	9.2
99.04454	2.8
103.05470	5.3
105.04503	2.2
105.07024	14.5
107.04960	2.8
107.08584	17.7
109.02878	6.1
109.10151	57.1
111.04456	6.6
111.08067	5.4
113.05929	2.0
115.05417	3.9
117.07036	3.4
119.04930	3.8
119.08569	11.9
121.02843	3.4
121.06509	10.9
121.10141	88.4
122.10484	4.0
123.04430	27.6
123.08047	3.3
123.11726	2.6
127.03891	4.2
129.07034	2.8
131.04924	5.1
131.08572	6.7
133.06490	2.8
133.37337	2.3
135.04410	3.3
135.08070	3.3
137.05978	5.5
137.09641	2.2
139.03915	11.3
139.11191	4.9
145.04889	2.5
145.06471	6.0
146.84882	1.8
147.04414	10.1
149.05972	5.7
149.09608	30.5
151.03899	80.8
159.08006	2.1
161.05954	7.8
161.09587	3.4
163.03923	6.9
163.07535	5.0
165.05524	5.5
167.07034	40.1
167.10692	17.4
168.07332	2.8
173.05962	3.7
175.07570	4.5
178.04968	12.7
181.05040	2.1
181.08578	44.2
187.09647	2.1
191.07031	9.3
193.04968	4.9
193.08582	11.3
201.11458	2.0
205.08644	16.6
206.04457	14.9
207.06589	2.7
207.10162	3.8
211.09605	7.2
217.08594	2.8
221.08163	1.8
223.09653	16.8
229.10721	3.4
239.06975	2.7
239.09059	4.2
241.10654	10.9
245.08168	3.7
273.11237	7.8
281.13785	3.3
285.07523	7.9
285.11035	2.3
293.13797	4.4
299.14911	15.8
303.08600	30.9
311.14859	14.2
319.11661	3.4
341.17395	2.3
359.18365	2.2
423.14313	13.5
467.00275	2.0
480.27414	2.0
515.15045	2.0
519.13123	1.8
521.24170	2.2
574.28510	2.6
575.37347	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	574.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.3
53.00316	0.3
53.03938	0.6
55.01856	0.4
55.05504	0.6
57.03425	0.4
57.07058	0.3
67.05494	0.6
69.03433	2.4
69.07050	0.7
69.08800	1.0
69.09221	0.9
71.04994	0.7
73.02933	0.2
73.06569	0.2
78.40362	0.2
79.01852	2.5
79.05449	0.3
79.34162	0.2
81.03413	5.7
81.07062	1.2
83.04958	0.6
83.08592	0.2
85.02909	2.9
85.06519	0.2
91.05495	0.5
93.07047	0.7
95.04992	0.2
95.08595	0.8
97.02892	4.7
97.10167	0.7
99.04474	1.0
105.07033	0.4
107.01333	1.7
107.04940	0.3
107.08588	0.5
108.04505	0.4
109.02879	5.2
109.06524	0.3
109.10140	1.3
109.98431	0.2
119.08553	0.3
121.06488	0.3
121.10162	0.4
123.04414	0.3
123.11693	0.9
124.43388	0.2
125.02332	2.5
127.03912	7.6
127.07496	0.2
131.03371	0.2
133.10115	0.4
135.00775	0.2
135.11676	0.6
137.05972	0.4
137.09547	0.3
137.13225	0.4
143.03409	3.6
145.04944	1.1
151.03841	0.5
151.11147	0.3
153.01823	100.0
153.02856	3.8
153.12660	0.4
154.02168	2.1
163.07571	0.2
167.07008	0.3
171.02884	13.5
171.13832	0.6
172.03249	0.2
207.06519	0.3
207.17445	0.8
225.18456	1.4
239.74065	0.2
271.14438	0.3
279.04953	0.7
297.06036	7.1
298.06253	0.4
315.07074	20.2
316.07394	0.9
369.30798	0.2
429.22357	0.2
452.99591	0.2
478.64069	0.2
574.27679	0.4
575.20270	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53606	4.0
52.77897	4.5
53.03943	5.2
55.01857	7.3
55.05515	51.4
57.03436	5.7
57.04058	5.4
57.07083	43.4
65.03924	7.0
67.05507	77.7
68.05837	5.8
69.03445	11.0
69.07066	39.9
71.04990	7.6
71.08630	34.3
71.31464	4.6
79.05498	58.0
79.97340	4.4
80.05838	5.3
81.03433	4.4
81.07056	98.8
81.07507	7.1
81.08922	5.0
82.07388	8.9
83.04968	8.6
83.08615	52.6
85.06532	13.5
85.10182	18.5
87.04472	5.4
91.05473	28.8
93.07043	61.0
95.08609	100.0
95.09222	5.4
96.08955	6.8
97.06547	10.6
97.10164	49.6
98.98443	5.6
99.04482	5.3
99.08083	7.3
101.06044	6.7
105.07021	25.4
107.08593	52.5
108.08963	7.0
109.06528	6.4
109.10163	47.5
111.04461	6.4
111.08076	11.1
117.07006	4.9
119.08571	27.5
119.61023	4.1
121.10137	40.0
121.82133	5.1
123.08126	5.1
123.11736	17.1
125.09635	44.5
131.08574	20.7
133.10117	29.0
135.08072	8.5
135.11687	33.6
136.12019	5.9
137.09673	6.0
143.08530	6.8
145.10120	17.4
147.11707	18.7
149.09634	8.8
149.13258	12.1
153.09138	12.7
155.01048	5.8
155.10773	5.6
159.11699	14.0
161.13269	10.3
163.14825	6.0
173.13278	7.5
175.14832	8.3
179.14439	5.1
185.13220	6.3
187.14853	12.6
189.11253	27.2
189.16420	5.3
197.13271	5.3
215.17789	5.4
233.19102	6.6
239.23726	27.2
248.20361	4.9
249.18599	6.7
251.20078	9.8
261.22104	12.6
269.21149	7.4
279.23193	22.7
297.24246	14.5
301.50107	4.4
313.27365	66.7
314.27759	25.5
331.28271	5.3
389.31030	5.2
407.32697	12.9
413.30634	6.4
431.31580	44.7
432.31720	7.1
449.32529	26.0
453.33737	5.0
467.33420	6.6
539.28339	8.5
539.35663	88.6
540.36084	13.9
574.49506	7.4
575.35358	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	574.4115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	4.1
55.05510	26.1
57.03442	5.3
57.07075	59.8
57.72922	2.9
67.05503	51.1
69.07066	31.6
71.04984	4.0
71.08627	41.3
71.32257	4.1
72.08122	3.9
79.05496	29.8
81.03436	3.9
81.07056	65.2
81.67599	2.6
82.07401	3.5
83.04971	3.6
83.08611	26.3
85.02930	3.2
85.06566	4.7
85.10179	26.2
87.04469	6.1
91.05474	23.7
93.07044	39.6
94.07389	3.5
95.05018	5.5
95.08599	79.4
97.02866	2.9
97.06526	7.4
97.09597	2.9
97.10168	13.1
99.04472	4.3
99.08105	4.1
99.20173	2.8
99.49441	2.7
103.03945	9.2
105.07033	27.3
107.08592	39.4
109.02913	3.6
109.06461	3.5
109.10152	43.4
111.08103	3.1
115.07665	2.9
117.07059	6.2
119.08578	43.6
120.08108	7.0
121.10162	38.7
123.08052	6.1
123.11686	23.9
125.09654	11.3
131.08618	16.0
133.10124	32.3
135.11690	21.8
137.09596	5.1
137.13287	7.6
139.11171	4.9
143.08519	4.1
145.10115	21.4
147.11687	23.8
149.09601	4.8
149.13258	11.3
157.10153	5.9
159.11742	15.9
161.13239	14.8
163.11232	5.7
163.14871	6.2
171.11609	5.4
173.13290	8.1
175.14827	13.6
176.04027	2.7
177.16425	16.0
185.13240	4.9
187.14825	5.4
189.16365	20.6
191.17889	6.4
197.13312	3.6
199.14825	5.1
201.16353	19.7
203.17963	32.8
205.15880	7.7
213.16385	7.9
215.17915	31.8
228.85637	3.2
229.19467	5.0
239.23677	31.1
241.19623	3.3
247.16966	13.1
257.24588	3.8
261.18542	23.5
313.27362	100.0
314.27615	12.2
331.28577	16.4
391.33417	6.2
409.34567	13.2
411.32416	4.9
434.29941	3.6
437.34171	71.4
438.34302	7.3
455.35303	4.3
539.28656	5.4
574.49194	6.5
575.49725	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	574.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46201	2.4
53.03944	3.2
55.01876	2.6
55.05514	16.5
57.03445	4.9
57.07076	49.8
67.05509	34.3
69.07061	23.4
71.04987	3.8
71.08631	40.4
74.98714	3.0
79.05502	17.8
81.03463	3.8
81.07059	49.6
83.05001	3.1
83.08613	29.4
85.02957	2.8
85.06562	2.3
85.10185	24.7
87.04471	3.7
91.05465	12.4
93.07051	25.4
95.04964	2.7
95.08603	62.6
96.08929	2.6
97.06490	4.5
97.10156	14.6
99.08099	5.1
105.07036	21.3
107.04997	3.2
107.08599	27.5
109.06490	3.1
109.10163	30.6
111.04459	2.7
111.08082	2.6
111.11719	4.5
117.07014	3.0
119.08575	30.4
121.10144	22.4
123.11709	16.6
125.09579	4.1
127.03934	4.0
131.08559	7.6
133.10141	21.1
135.07950	4.1
135.11691	20.3
137.13310	5.4
143.08586	5.4
145.10121	12.9
147.11699	16.2
149.13260	12.3
157.10173	3.4
159.11703	11.0
161.13260	10.7
163.07526	2.6
163.14853	4.8
165.76257	2.4
167.67734	2.5
171.11578	2.8
173.13251	6.7
175.14832	12.7
177.16380	11.0
187.14833	6.2
189.16423	14.1
191.00060	3.9
191.17847	3.1
199.14737	3.4
201.16359	15.2
203.17944	24.5
213.16443	4.6
215.17943	16.4
217.19339	2.8
235.16910	3.9
235.20757	3.0
239.23689	28.1
241.19592	3.9
247.16930	8.1
249.18555	6.0
253.19432	3.6
257.24734	4.1
257.80396	2.8
261.18542	14.6
279.23120	4.8
313.27374	100.0
314.27765	11.1
318.70496	2.7
331.28473	13.2
391.33432	5.3
409.34479	9.0
437.34122	43.8
438.34525	5.7
568.18787	3.1
574.48999	4.2
575.35413	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	574.4675
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32340	2.3
53.03949	2.5
55.05498	18.0
57.03432	2.8
57.07074	38.1
60.82203	2.4
67.05159	4.9
67.05499	44.2
69.07063	10.0
71.04997	19.4
71.08627	26.0
79.05481	13.9
81.07056	68.3
81.07511	4.7
83.08614	14.8
85.06554	4.9
85.10157	12.3
87.04460	31.4
91.05463	15.6
93.07047	13.1
95.08608	26.3
97.06535	3.2
97.10171	10.2
105.07022	6.8
107.08595	5.8
109.10164	11.3
119.08584	3.5
121.06497	3.6
121.10119	3.6
123.11707	10.4
133.10136	10.2
149.13277	4.6
151.11201	4.7
159.11685	3.8
183.13910	2.9
187.13336	6.5
255.10536	3.0
269.17410	5.2
301.20065	18.3
313.27386	34.3
327.94455	2.7
481.38837	100.0
482.39368	6.3
495.40390	6.5
507.40546	4.0
539.42987	45.4
540.43237	6.3
574.49005	10.0
575.49957	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	575.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98323	0.5
53.03934	0.8
57.03447	0.5
61.01864	0.5
61.02920	1.0
69.03424	3.4
69.07822	0.7
69.08211	4.4
79.05482	1.0
81.03416	1.1
81.07047	0.6
82.04930	0.5
85.02907	5.3
91.03958	0.8
97.02892	2.5
98.22592	1.1
99.04462	0.9
100.11265	0.9
107.04945	9.8
108.24936	0.5
109.02851	0.7
112.27644	0.5
121.09993	0.6
126.27876	0.5
127.03871	0.8
128.93404	0.5
129.03149	1.6
137.05951	1.5
145.04913	0.6
151.03905	0.7
153.01840	0.7
162.06438	0.7
167.06886	0.6
173.71140	0.5
181.04852	0.5
185.04160	1.2
201.03566	0.5
203.05251	1.0
205.04710	11.9
205.06531	0.9
231.06352	1.1
259.07925	0.8
308.08490	2.6
347.09445	13.6
351.75333	0.5
453.13559	1.9
458.17548	0.5
575.17261	100.0
576.17566	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	575.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27389	0.3
57.92607	0.3
62.36670	0.3
70.32188	1.1
79.05512	0.6
81.07053	0.7
81.11865	0.3
83.01105	0.4
87.40586	0.3
91.05475	0.7
93.07033	0.6
95.01096	1.2
95.08607	0.6
96.01875	0.5
98.22685	0.3
98.40923	0.3
103.05471	0.6
105.07026	1.5
109.10190	0.4
113.02124	1.3
118.04175	1.1
119.04961	0.6
121.10142	0.4
124.05210	0.4
131.08583	0.5
133.06493	1.4
135.08076	0.3
137.05965	0.7
145.10072	0.4
147.04425	0.4
150.06754	1.1
165.09122	0.9
176.04472	1.0
185.04222	2.3
193.08609	2.5
194.08855	0.3
201.03693	2.5
201.05289	1.3
202.06067	0.8
203.05255	17.5
207.06602	1.2
216.07576	11.7
217.08362	2.4
219.06238	0.4
365.13596	6.6
374.32855	0.4
381.11511	0.7
383.14526	0.4
395.14758	0.6
400.82388	0.4
575.20947	100.0
576.21228	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	575.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.4
55.01870	9.0
55.05511	61.1
57.03437	3.7
57.07074	4.4
59.04998	2.2
62.83897	1.6
65.03939	2.3
67.05505	71.4
69.01410	5.9
69.01833	9.1
69.03416	6.1
69.06714	2.9
69.07067	32.5
71.04988	6.7
71.08621	2.8
76.24729	1.4
79.05045	2.8
79.05492	45.0
80.05827	1.6
81.03407	2.1
81.07057	71.2
82.07410	1.6
83.04976	8.9
83.08616	39.8
85.06545	7.1
91.05477	25.2
93.07044	41.6
95.04958	6.1
95.08602	59.4
96.08910	2.2
97.06541	9.0
97.10173	59.7
98.84270	1.6
99.08032	1.9
101.06056	2.2
101.82889	1.6
105.07031	21.5
107.04967	4.1
107.08595	44.1
109.06511	5.0
109.10159	31.6
110.10466	1.4
111.08070	4.3
111.11667	2.1
117.07032	9.7
119.08582	18.0
119.77556	1.5
121.06509	2.9
121.10136	21.6
123.08067	5.1
123.11710	11.1
125.09632	41.5
129.07004	3.4
131.08572	13.5
133.10114	15.5
135.08080	7.1
135.11681	17.6
137.09622	4.3
137.13228	2.8
139.11150	2.4
143.08527	2.5
143.10742	1.9
145.10129	15.0
147.11674	14.2
149.09590	5.7
149.13249	7.8
151.11177	2.4
153.09113	14.7
153.12718	2.1
157.10129	3.3
159.11687	10.9
161.13242	9.8
162.41183	1.4
163.11169	4.5
163.14851	4.2
165.12750	3.7
167.10634	3.0
169.10120	2.8
171.10205	3.3
171.11604	2.4
173.11720	3.7
173.13255	6.5
175.14815	2.8
177.12740	3.0
179.14272	2.4
185.13289	2.5
187.14841	3.3
189.11230	42.1
191.14180	1.7
193.12384	2.0
195.13858	2.2
233.15407	1.7
239.17946	2.1
243.21147	12.3
249.18539	2.3
259.20660	1.8
261.19000	2.1
261.22122	22.0
273.18433	1.5
275.20065	5.7
277.17758	1.8
277.21606	1.7
279.23184	100.0
280.23499	5.4
291.19489	1.6
297.24228	66.6
298.24576	5.2
319.80508	1.6
333.24106	2.3
345.27426	1.6
385.31097	1.8
395.29169	4.7
403.32242	3.0
413.30484	9.4
421.33011	3.1
431.31516	58.9
432.31714	5.8
436.27719	1.5
449.32602	28.3
450.32913	4.1
467.33722	5.0
508.45087	1.5
521.34564	3.7
539.35284	6.5
557.34668	1.5
575.22345	1.9
575.31738	2.7
575.49872	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	575.467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.7
55.01875	2.8
55.05508	65.1
57.07077	25.3
63.68143	2.0
64.02087	1.7
65.03928	3.9
67.05502	70.5
69.07065	80.7
69.92021	2.0
71.04989	5.1
71.08624	37.7
75.76564	1.8
78.75261	1.7
79.05489	54.6
81.03416	5.4
81.07054	99.7
83.04978	9.6
83.08617	64.3
85.06538	6.0
85.10171	4.4
85.85538	1.8
86.02435	1.9
87.04435	4.7
91.05475	45.9
93.07043	62.7
95.04958	9.8
95.08601	72.2
97.06553	12.7
97.10175	34.4
99.08078	19.5
105.07033	36.0
107.04935	6.9
107.08586	41.8
109.06545	4.4
109.10158	28.1
111.08075	5.4
111.11705	13.4
113.09637	4.2
117.07009	3.0
119.08566	29.6
121.10139	34.7
123.08060	6.7
123.11705	11.5
125.09628	3.4
125.13279	3.4
129.06898	2.0
131.08575	4.4
133.10126	30.0
135.11685	32.1
137.09599	6.3
137.13261	3.0
141.09096	5.3
143.08530	3.6
145.10191	3.2
147.11682	15.7
149.13249	13.2
151.11159	13.0
151.14748	2.2
153.12753	3.1
159.11624	2.7
161.13249	21.2
163.11194	2.4
163.14828	6.7
165.12743	6.2
165.16470	2.8
167.14265	2.1
175.14816	7.2
177.12704	2.9
179.14302	100.0
181.15825	3.9
181.34180	2.0
189.12660	2.5
189.16359	4.2
193.15747	3.1
195.13914	3.0
199.14954	2.0
207.17372	2.6
221.15413	3.0
229.29887	2.5
235.16922	7.8
245.22665	9.6
258.56924	1.8
259.20459	5.2
263.23706	11.1
277.21594	86.4
278.21899	4.4
295.22687	8.1
423.78705	2.2
575.07568	2.2
575.47546	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.2
55.01873	12.5
55.05513	3.9
57.03446	1.8
58.54025	1.2
65.03941	8.3
67.05505	7.6
68.99789	2.0
69.03431	14.0
69.07075	10.2
71.05008	6.3
71.08608	1.3
71.32394	1.7
73.02902	1.3
79.05498	16.3
81.03419	23.8
81.07056	22.1
83.04982	7.3
85.02903	6.2
85.06554	6.7
91.05484	6.4
93.03405	4.9
93.07050	33.8
95.04986	5.7
95.08620	12.4
97.02907	5.3
97.06541	11.0
98.91633	1.2
99.04456	10.3
101.06013	1.5
103.05490	1.5
105.07034	26.0
106.86359	1.3
107.04959	4.0
107.08595	48.1
108.08959	1.8
109.02881	21.0
109.06517	11.9
109.10179	3.4
111.04443	33.1
111.08057	7.2
113.06007	5.5
117.07040	3.9
119.08585	9.2
121.02894	1.5
121.04007	3.3
121.06505	15.8
121.10146	26.8
123.04428	3.8
123.08053	6.9
127.03916	18.4
127.07540	2.9
130.07794	2.0
131.08627	2.3
133.06508	2.3
133.10138	2.3
135.04425	2.3
135.08078	3.8
135.11707	10.4
137.05937	3.2
137.09657	2.2
139.03902	74.5
139.07565	1.7
139.11197	4.0
140.04225	1.4
141.46570	1.4
143.08580	2.1
144.04747	2.4
145.04918	2.2
145.10126	25.1
147.04387	1.9
147.11708	5.5
149.05978	1.8
149.09622	14.7
151.03877	2.0
151.07571	7.1
153.05481	2.5
161.09619	2.1
163.03896	2.1
163.11186	60.5
164.11464	3.0
165.09200	1.4
165.12744	2.0
167.07037	1.8
167.10689	26.1
169.08600	70.9
170.08969	2.6
171.06540	55.1
172.06912	1.7
173.09627	6.7
177.05525	2.0
179.07185	1.4
181.12247	19.0
182.12573	1.8
182.71095	1.4
185.11708	3.1
189.09138	1.6
191.10675	33.7
192.10992	2.6
207.06546	1.6
209.11707	31.9
210.12109	2.6
227.12781	100.0
228.13165	3.8
233.08116	2.1
237.07573	4.0
255.12396	1.8
261.07629	8.5
269.13834	5.9
271.13440	1.8
277.10532	1.7
279.08658	5.7
284.69522	1.3
289.14264	3.2
303.05035	2.0
311.14981	3.9
317.13885	3.9
329.16055	1.4
335.14908	5.6
353.15948	29.2
353.20322	2.0
354.16400	2.1
371.17053	21.4
372.17361	1.4
389.18082	1.8
576.21149	3.4
576.29675	5.4
577.22467	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	576.28
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18108	4.2
69.33302	37.5
71.56248	5.4
84.55939	4.9
91.05460	8.1
98.23329	9.8
105.07007	6.4
107.04931	5.4
121.06554	6.5
123.04414	6.7
135.08037	7.1
137.05984	100.0
147.11661	4.6
151.03859	8.6
151.07527	19.6
161.05974	13.5
163.03969	5.8
163.07585	13.5
175.07523	13.0
181.04903	8.1
186.13356	4.9
189.09137	6.3
265.08694	5.8
283.09366	6.7
287.12683	7.7
297.11441	5.8
320.39551	5.1
341.13882	9.2
342.80682	4.9
351.15762	6.6
359.14801	6.4
475.21265	5.5
576.21063	17.2
577.20605	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	576.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.4
55.01865	10.5
55.05512	9.5
57.03447	2.0
57.07079	2.0
64.84142	1.7
65.03938	3.6
67.05492	13.6
67.42941	1.7
69.03433	13.1
69.07069	14.4
69.71844	8.7
71.05003	6.8
79.05487	21.1
81.03415	22.1
81.06588	1.6
81.07053	29.0
83.04997	5.3
83.08648	2.6
85.02902	6.4
85.06546	5.5
91.05487	28.2
93.07041	78.3
93.49642	1.6
94.07371	2.5
95.04950	8.6
95.08604	16.5
97.02873	2.8
97.06516	9.6
99.04448	10.9
99.04981	1.7
105.07028	30.5
107.08591	100.0
108.08918	4.0
109.02879	22.1
109.06497	11.7
109.10178	5.8
111.04437	2.5
111.08092	5.3
113.05984	2.3
113.47913	1.6
117.07005	3.9
119.08595	11.8
121.06495	13.0
121.10143	26.6
123.04399	2.2
123.08096	7.1
123.11720	2.4
125.06010	2.6
127.03929	23.9
131.08580	5.4
133.06514	5.7
133.10124	5.1
135.04382	2.3
135.08052	5.4
135.11690	42.9
136.12036	3.8
137.06007	2.5
137.13153	1.7
139.07523	2.1
139.11197	1.7
145.04977	2.1
145.10112	21.4
147.11714	4.7
149.09593	15.1
151.07555	6.9
157.10176	2.6
161.05968	2.4
161.09657	2.4
163.11176	57.7
164.11600	3.5
165.09102	2.0
165.12704	2.3
167.10655	18.7
169.08592	63.0
170.09079	2.7
173.09654	5.3
175.11247	2.3
181.12236	13.0
185.11754	4.8
191.10670	28.9
209.11729	31.2
209.13518	3.0
217.15871	3.2
225.12682	1.9
227.12766	86.9
227.15027	4.2
227.59996	1.7
228.13196	3.9
235.16852	2.8
239.77611	1.7
255.12222	2.4
269.13870	3.8
277.10468	2.3
289.14532	3.4
307.94171	1.8
309.16815	2.4
314.07724	2.5
317.13821	3.4
329.06219	1.8
329.10226	8.1
335.14764	6.1
353.15942	28.7
371.16943	23.5
389.18231	2.2
576.26471	2.2
577.26349	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	576.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.6
55.05507	28.0
57.03420	3.5
57.07059	8.4
65.03937	4.6
65.56171	3.3
67.05501	43.2
68.05849	3.8
69.07077	27.8
71.04972	4.4
72.62679	3.3
72.72521	3.6
79.05483	34.1
81.03432	6.2
81.07056	69.2
83.04980	4.4
83.08632	18.4
86.50639	3.8
91.05482	28.3
93.07048	45.7
95.04974	9.6
95.08608	63.1
96.08917	4.6
97.06520	7.2
97.10172	11.4
104.86111	4.0
105.07022	45.6
107.08595	58.4
109.06541	4.7
109.10152	38.3
111.08107	6.0
117.07034	6.1
119.08577	66.3
121.10142	59.3
123.08101	4.2
123.11703	31.5
125.09644	8.4
129.07051	4.8
131.08533	16.4
133.10136	49.0
135.08060	6.0
135.11700	42.0
137.09578	4.9
137.13235	5.1
141.06192	3.6
143.08559	9.2
145.10098	30.9
147.08028	4.8
147.11682	24.9
149.13232	24.1
153.09081	5.9
157.10083	5.7
159.11665	25.8
161.13251	20.8
163.07596	4.2
163.14783	7.1
165.09048	4.2
171.11682	8.5
173.13297	10.7
175.14799	29.4
177.09143	8.3
177.16383	26.5
183.11646	6.5
187.14841	13.5
189.16351	40.4
190.16766	4.3
191.14258	4.6
191.17981	10.8
193.12268	4.6
197.13126	4.3
199.14714	5.1
201.16377	30.1
203.17912	45.4
205.15909	6.5
207.17369	8.3
211.13103	3.8
213.16322	16.9
215.17911	47.3
217.19527	7.2
221.19066	6.0
223.13353	4.4
229.19537	5.1
241.19531	7.7
247.17043	17.0
249.18428	3.6
253.19475	4.1
255.21127	7.3
261.18530	42.4
273.18430	4.8
291.19580	11.3
292.19833	6.3
299.20035	3.9
315.22894	4.8
391.33481	12.2
394.28580	4.3
409.34653	26.4
411.32410	16.2
437.28333	5.4
437.34183	100.0
438.34189	11.5
455.35233	7.6
558.35944	4.1
576.35736	14.9
576.49963	5.2
577.35254	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	576.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.6
55.05507	28.0
57.03420	3.5
57.07059	8.4
65.03937	4.6
65.56171	3.3
67.05501	43.2
68.05849	3.8
69.07077	27.8
71.04972	4.4
72.62679	3.3
72.72521	3.6
79.05483	34.1
81.03432	6.2
81.07056	69.2
83.04980	4.4
83.08632	18.4
86.50639	3.8
91.05482	28.3
93.07048	45.7
95.04974	9.6
95.08608	63.1
96.08917	4.6
97.06520	7.2
97.10172	11.4
104.86111	4.0
105.07022	45.6
107.08595	58.4
109.06541	4.7
109.10152	38.3
111.08107	6.0
117.07034	6.1
119.08577	66.3
121.10142	59.3
123.08101	4.2
123.11703	31.5
125.09644	8.4
129.07051	4.8
131.08533	16.4
133.10136	49.0
135.08060	6.0
135.11700	42.0
137.09578	4.9
137.13235	5.1
141.06192	3.6
143.08559	9.2
145.10098	30.9
147.08028	4.8
147.11682	24.9
149.13232	24.1
153.09081	5.9
157.10083	5.7
159.11665	25.8
161.13251	20.8
163.07596	4.2
163.14783	7.1
165.09048	4.2
171.11682	8.5
173.13297	10.7
175.14799	29.4
177.09143	8.3
177.16383	26.5
183.11646	6.5
187.14841	13.5
189.16351	40.4
190.16766	4.3
191.14258	4.6
191.17981	10.8
193.12268	4.6
197.13126	4.3
199.14714	5.1
201.16377	30.1
203.17912	45.4
205.15909	6.5
207.17369	8.3
211.13103	3.8
213.16322	16.9
215.17911	47.3
217.19527	7.2
221.19066	6.0
223.13353	4.4
229.19537	5.1
241.19531	7.7
247.17043	17.0
249.18428	3.6
253.19475	4.1
255.21127	7.3
261.18530	42.4
273.18430	4.8
291.19580	11.3
292.19833	6.3
299.20035	3.9
315.22894	4.8
391.33481	12.2
394.28580	4.3
409.34653	26.4
411.32410	16.2
437.28333	5.4
437.34183	100.0
438.34189	11.5
455.35233	7.6
558.35944	4.1
576.35736	14.9
576.49963	5.2
577.35254	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	577.2252
Annotation	Sphenadilactone A
Peak:m/z	Relative Intensity
56.18036	0.2
70.90008	0.4
75.83325	0.2
84.08082	0.2
85.02884	0.2
111.03042	0.2
123.04437	1.9
127.03887	0.5
135.04417	0.4
137.06044	0.3
139.03943	0.6
151.03900	0.7
153.01799	0.4
159.04219	0.4
163.03912	0.9
181.05019	0.3
185.04213	0.6
189.05219	10.3
201.05397	0.2
203.06754	3.2
204.07523	1.8
204.11130	0.2
214.16786	0.2
216.07561	0.5
217.04836	0.3
217.08319	2.8
233.07819	0.5
245.04437	0.5
257.04523	0.3
263.12677	0.6
287.05597	0.7
295.88498	0.2
365.12167	1.7
379.13608	4.9
380.13864	0.3
395.13318	0.5
399.14157	0.5
413.15744	0.5
414.16669	1.1
415.17227	12.2
416.17792	0.6
418.45364	0.3
425.08826	0.7
547.21576	0.4
577.22516	100.0
578.22803	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	577.2254
Annotation	Sphenadilactone A
Peak:m/z	Relative Intensity
63.55652	0.5
63.83564	0.5
69.25622	4.0
69.60858	0.5
70.66090	0.5
91.05482	0.7
123.04418	0.7
127.07468	0.5
134.93184	0.5
135.04399	0.8
137.05997	2.0
138.06323	0.7
139.03816	0.8
189.05200	6.7
201.03755	0.9
219.06314	2.9
220.07068	0.7
256.09338	0.6
263.08942	0.6
337.09268	1.1
349.12573	0.6
367.13702	2.6
377.11978	1.0
381.11542	5.2
382.12305	0.8
383.13022	0.5
395.13141	2.5
396.13895	7.9
397.14752	1.4
415.17227	0.7
577.22504	100.0
578.22992	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	577.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
63.55652	0.5
63.83564	0.5
69.25622	4.0
69.60858	0.5
70.66090	0.5
91.05482	0.7
123.04418	0.7
127.07468	0.5
134.93184	0.5
135.04399	0.8
137.05997	2.0
138.06323	0.7
139.03816	0.8
189.05200	6.7
201.03755	0.9
219.06314	2.9
220.07068	0.7
256.09338	0.6
263.08942	0.6
337.09268	1.1
349.12573	0.6
367.13702	2.6
377.11978	1.0
381.11542	5.2
382.12305	0.8
383.13022	0.5
395.13141	2.5
396.13895	7.9
397.14752	1.4
415.17227	0.7
577.22504	100.0
578.22992	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	577.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.0
61.82543	0.8
67.05495	2.1
69.07060	0.8
70.63016	1.9
79.05482	1.4
81.07050	2.7
91.05441	0.8
93.07059	1.9
95.08617	3.0
105.07033	1.6
107.08573	1.9
109.10164	1.1
119.08583	1.3
121.10188	1.0
131.08565	1.1
133.10135	1.7
135.11768	1.0
137.05977	0.8
140.43111	0.7
147.11691	0.7
174.02884	0.8
175.11130	0.7
185.72188	0.7
189.05240	1.3
199.07375	0.9
204.03961	5.6
213.08841	1.3
217.08438	1.0
229.01668	0.8
229.08353	1.2
232.47276	0.8
305.62344	0.8
381.13159	3.2
396.15457	14.6
397.16122	2.7
547.22565	1.0
577.24005	100.0
578.24390	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	577.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
69.02045	2.2
69.02473	2.2
79.05505	0.6
81.03127	0.5
106.07413	0.4
119.08601	0.4
137.06012	0.9
162.02913	1.9
167.07083	0.8
169.04753	1.3
182.21078	0.4
189.09190	0.4
293.17087	3.0
296.26590	0.5
307.08133	0.7
335.18445	0.6
408.75345	0.4
421.22226	1.3
437.21616	3.7
560.38922	0.5
577.26306	100.0
578.26593	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	577.41
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	1.7
53.03945	7.0
55.01876	7.8
55.02518	1.3
55.05513	42.7
57.03442	14.9
57.07072	6.0
58.93693	1.3
59.04990	3.0
65.03940	5.9
67.05505	93.6
68.05863	1.7
69.03429	5.7
69.06709	2.6
69.07066	29.9
71.05000	19.4
71.08619	1.4
71.31799	1.9
73.06570	1.7
78.02991	1.1
79.05495	73.6
80.05827	1.5
81.03419	27.3
81.07059	100.0
83.04987	11.6
83.08617	24.2
84.08911	1.2
85.06537	11.7
87.04460	1.8
91.05479	65.9
92.01231	1.3
92.05806	2.1
93.07047	74.9
94.07287	1.3
95.04971	19.4
95.08609	62.5
96.08936	1.5
97.06523	12.7
97.10174	21.0
99.04521	1.7
99.08093	4.3
103.05479	3.2
105.04555	2.8
105.07034	60.1
106.07353	1.9
107.04974	5.2
107.08595	46.7
108.08925	1.9
109.06511	7.8
109.10159	33.9
111.04429	1.9
111.08095	9.2
113.06050	1.9
115.05445	2.7
117.07021	21.7
119.05009	1.2
119.08578	47.6
120.08958	2.1
121.06504	5.7
121.10148	33.3
122.10492	2.4
123.08061	7.5
123.11713	10.3
125.09638	13.9
128.06233	2.7
129.06996	15.1
131.08565	40.7
133.06491	2.1
133.10121	35.9
135.08072	8.6
135.11702	18.5
137.09616	7.2
137.13271	4.0
139.11197	2.9
141.07033	6.2
142.07776	2.7
143.08588	15.6
144.09174	1.4
145.06529	2.3
145.10127	31.2
147.08041	4.4
147.11696	25.3
149.09605	9.3
149.13254	9.9
150.13560	1.5
151.07664	1.6
151.11157	2.6
153.07091	1.4
153.12759	1.5
155.08517	7.3
156.09341	1.6
157.10123	15.2
159.10390	1.6
159.11705	23.7
161.09583	3.1
161.13242	12.2
163.11205	4.1
163.14796	5.7
165.12744	4.0
167.08566	2.6
167.10710	2.1
169.10112	7.9
171.11671	10.9
173.09583	1.9
173.11826	2.9
173.13223	15.0
175.11169	5.5
175.14836	4.9
177.12730	3.2
181.10133	3.0
181.12271	2.6
183.11670	11.2
185.13213	7.8
187.11247	1.4
187.14798	7.2
189.11246	9.5
189.16338	3.1
191.14348	1.6
193.10364	2.8
193.12260	9.7
195.11716	3.8
195.13693	1.4
197.13293	7.0
197.15161	1.7
199.11232	1.7
199.13182	2.3
199.14854	6.6
201.14746	2.5
201.16432	2.7
203.14342	2.3
205.15825	1.7
207.13768	1.9
209.13313	4.2
211.11365	1.3
211.14854	5.6
213.14656	1.9
213.16463	2.9
219.17354	2.3
221.15436	1.4
223.14832	3.8
225.14697	1.8
227.12740	10.9
227.18092	1.6
229.14169	1.8
233.15477	2.4
235.13045	1.4
235.17235	1.5
237.16393	1.8
239.16408	3.8
241.19548	2.5
249.18523	1.6
259.17084	1.9
259.20569	4.7
261.22165	10.1
267.15915	19.9
271.20636	2.4
279.23340	1.9
285.22165	4.1
287.23636	3.6
289.21646	5.6
299.23849	1.6
301.25180	10.3
303.23068	3.4
305.24747	2.7
311.23755	1.7
313.21552	1.5
315.23230	1.5
317.24823	2.8
327.23151	3.0
333.24118	2.8
335.25778	17.7
341.24570	2.1
343.22647	3.1
355.25937	1.4
359.25726	2.6
361.27643	2.1
363.25351	6.7
407.18521	3.6
407.32813	1.6
417.31546	4.7
425.19580	4.5
435.27393	2.4
435.32587	13.2
436.32782	2.4
453.33710	13.4
471.24911	1.5
471.34622	6.7
472.34470	1.6
489.26083	1.6
491.35400	1.9
507.27292	2.0
509.36035	5.4
519.36420	2.0
527.37347	46.6
528.37653	4.0
545.38324	36.0
546.38617	4.6
559.30420	4.3
559.39856	6.1
577.39539	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	577.4823
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.1
55.01868	3.8
55.05509	28.4
57.03437	3.7
57.07064	10.6
65.03931	5.1
67.05500	75.9
67.05859	3.7
68.05860	2.0
69.07059	41.0
69.07787	5.2
69.08180	21.1
71.05002	4.6
71.08607	4.2
79.05488	38.8
80.60226	1.9
80.83538	2.6
81.07051	100.0
82.07357	2.0
83.04973	3.5
83.08618	24.2
85.06525	5.8
91.05466	22.4
92.05792	2.3
93.07042	36.2
95.04978	2.3
95.08598	84.5
97.06523	9.4
97.10172	15.6
99.08066	2.4
105.07016	16.5
107.04943	2.3
107.08580	24.2
109.10151	33.4
111.08094	5.4
111.11718	4.5
117.07014	5.4
117.13965	2.0
119.08572	16.9
121.10140	33.1
123.08073	3.0
123.11718	16.7
125.09610	3.1
131.08545	14.9
133.10124	15.5
135.08034	2.4
135.11688	19.7
136.12007	2.4
137.09610	4.0
137.13231	5.3
139.11259	3.7
142.20773	2.1
145.10159	10.5
147.11682	12.2
149.09596	4.3
149.13257	10.3
151.14752	2.0
159.11705	7.3
161.13248	14.5
163.11188	2.5
163.14859	5.4
165.12695	2.0
171.11717	2.5
173.13289	7.1
175.14822	5.0
177.16348	3.4
179.14304	4.1
185.13191	3.8
187.14931	2.3
230.01254	2.1
243.21060	5.6
245.22649	2.5
261.22076	17.4
263.23541	4.6
277.21536	2.4
279.23172	32.6
280.23465	3.0
281.24835	4.5
411.57343	2.2
436.53522	2.3
455.41092	2.2
523.44946	9.3
541.46552	10.1
541.53387	2.6
559.46924	6.1
577.40198	6.5
578.08319	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	578.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.0
53.94582	0.8
55.01873	4.0
55.05514	3.6
57.03432	5.9
57.07056	2.0
59.05003	3.8
61.02926	9.6
67.05515	3.9
69.03432	20.6
69.07073	3.4
71.04988	10.6
73.02910	2.8
74.75262	0.7
79.05482	4.8
81.03416	8.7
81.07058	19.7
83.01327	1.1
83.08623	2.6
85.02905	100.0
85.06545	2.4
87.04475	2.5
91.03966	3.8
91.05459	5.6
93.07042	12.4
94.07383	0.8
95.04966	1.0
95.08598	12.6
97.02262	1.6
97.02892	31.0
97.06539	2.3
97.10193	2.8
98.22620	2.6
99.04440	4.9
103.57005	0.9
105.07033	19.4
107.08595	16.4
107.09274	1.6
107.70914	0.9
109.02878	10.2
109.06512	2.8
109.10165	12.9
109.62978	0.8
111.08110	2.6
114.58769	0.7
115.03977	1.1
117.07030	1.9
119.08581	18.8
120.08939	0.9
121.06510	1.1
121.10145	10.1
123.04465	0.9
123.08099	1.7
123.11703	2.8
125.09629	39.6
127.03915	29.2
127.11189	18.1
128.04320	0.9
129.06985	1.0
131.08577	2.5
133.10123	5.3
135.08080	0.8
135.11700	13.6
139.03856	1.0
143.10681	15.4
145.04953	41.7
145.10118	26.7
145.11235	1.6
146.10446	1.0
147.11697	6.5
149.09584	1.2
149.13310	4.4
157.10065	1.0
159.11699	7.1
161.13261	12.8
163.06020	19.2
163.07336	1.4
163.11227	2.2
173.13243	3.4
174.13602	0.8
175.14865	2.7
177.12845	1.1
177.16452	1.5
179.14299	11.3
181.07133	0.8
191.14314	1.9
191.17946	14.6
194.78497	0.8
201.16379	22.4
202.16809	1.2
203.18103	1.3
219.17436	84.8
220.17831	4.8
229.28554	0.9
237.18498	18.2
238.18681	1.1
289.09033	1.4
302.75711	0.9
325.11319	3.5
354.65918	0.9
357.17062	0.8
363.21616	1.7
381.22717	2.4
399.23578	3.7
416.28625	1.0
417.22812	3.3
468.43597	1.0
578.22601	0.8
578.34485	4.0
579.27887	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	1.6
55.01869	3.7
55.05513	4.4
57.03434	7.1
59.05000	3.2
61.02925	7.3
67.05500	7.9
69.03430	17.0
69.07069	5.3
70.05915	5.7
71.04990	11.6
73.02926	3.3
79.05489	8.3
81.03419	9.2
81.07058	21.9
83.04988	3.4
83.08621	2.7
85.02906	100.0
85.06557	2.2
86.03272	1.3
87.04469	3.1
91.03961	4.2
91.05479	8.3
91.63029	1.3
93.07041	11.1
95.04977	2.2
95.08609	12.4
96.08907	2.0
97.02894	26.7
97.06529	2.7
97.10168	3.2
99.04457	5.3
103.03939	2.1
104.27319	1.3
105.07018	18.7
107.04974	1.6
107.08601	16.6
109.02890	9.9
109.06525	2.3
109.10154	10.5
111.08073	3.5
117.07049	2.8
119.08570	19.0
121.02933	1.5
121.10120	9.1
123.08103	1.8
123.11706	3.0
125.08706	2.7
125.09629	55.9
127.03922	27.0
127.11196	20.3
128.06288	1.4
131.08580	4.5
133.10144	6.7
135.11681	10.9
137.05940	2.1
137.09660	2.3
139.03951	1.5
143.08525	2.9
143.10669	15.5
145.04974	37.2
145.10121	26.2
147.11685	5.2
149.13252	3.9
157.10175	1.9
159.11647	7.2
161.13257	10.9
163.06024	17.5
163.11163	1.7
173.13281	2.6
175.07660	1.6
179.14314	10.0
191.17949	7.4
201.16399	20.3
219.11766	8.4
219.17441	66.7
220.17787	2.3
237.18570	16.3
261.63947	1.3
287.05536	1.9
288.40753	1.5
303.30704	1.6
303.70822	1.4
304.92224	1.5
317.14093	1.5
325.11133	3.2
332.55023	1.5
358.75055	1.5
381.22656	2.3
399.23706	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	578.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.5
53.03942	13.9
55.01867	8.6
55.05508	32.1
56.05845	2.0
57.03429	12.1
57.07070	6.4
59.05011	1.4
61.33660	1.5
65.03940	6.2
67.05502	100.0
68.05829	2.9
69.03062	2.3
69.03429	44.6
69.07062	29.9
71.01352	2.1
71.04989	11.2
71.08637	2.7
71.32066	1.3
71.32475	3.1
73.02917	3.3
73.34806	1.3
74.13927	1.5
77.03919	2.8
79.05489	81.1
80.05062	1.6
80.05825	4.5
81.03419	54.8
81.03897	2.7
81.07053	99.0
82.07379	4.4
83.04978	12.6
83.08604	14.3
85.02901	32.6
85.06546	3.7
87.04469	2.2
91.05475	67.5
92.05801	1.9
93.07040	97.7
94.07388	5.0
95.04963	16.0
95.08602	70.3
96.08946	3.2
97.02887	26.1
97.06528	11.4
97.10150	8.5
98.06015	1.7
99.04445	8.0
99.08097	4.2
101.05977	2.0
103.03931	4.8
103.05457	6.3
105.04488	2.8
105.07025	57.0
107.04955	7.1
107.08588	50.1
108.04472	6.4
108.08920	2.4
109.02875	16.7
109.05862	1.6
109.06506	9.7
109.10159	37.8
110.10477	2.0
111.04442	10.4
111.08054	4.1
113.09589	1.9
115.03926	2.1
115.05479	2.8
117.07007	30.7
119.04944	1.9
119.08576	44.8
119.09422	2.7
120.08865	2.0
121.05605	2.4
121.06502	46.4
121.10143	44.3
122.10529	2.4
123.04423	4.9
123.08087	7.2
123.11694	14.0
125.02124	7.9
125.05965	2.7
125.09636	4.8
126.19372	1.6
127.03905	19.2
128.06230	4.9
129.05466	5.3
129.06976	17.5
130.07773	2.1
131.04889	2.2
131.08563	44.2
132.08890	2.4
133.06502	6.0
133.10126	37.8
134.10443	1.7
135.06218	1.5
135.08099	9.3
135.11688	27.2
137.06027	2.6
137.09612	6.8
137.13242	2.8
139.03897	1.8
139.07584	2.2
141.06984	4.7
141.09018	1.9
142.07790	3.5
143.08545	16.0
145.04915	2.9
145.06488	4.6
145.10124	34.6
147.08058	7.6
147.11674	24.8
149.05997	2.1
149.09608	5.7
149.13258	16.4
151.07521	2.7
151.11140	4.9
153.12650	1.5
155.08568	7.1
157.06500	2.9
157.10121	13.5
159.08060	5.2
159.11699	25.2
161.06024	2.2
161.09584	5.6
161.13251	14.2
163.07581	3.4
163.11162	5.3
163.14873	7.2
165.06993	2.5
165.09105	1.8
165.12825	3.4
165.99883	1.5
167.08577	3.8
169.08783	2.2
169.10045	8.2
171.08089	4.2
171.11711	14.1
173.09622	5.0
173.13226	20.8
175.07480	2.1
175.11218	5.5
175.14844	7.1
177.12714	3.2
179.08527	1.5
181.10120	4.3
181.12352	3.0
183.08090	2.4
183.11676	7.9
185.09613	4.4
185.13258	10.2
187.11159	2.0
187.14764	10.4
189.09128	2.1
189.12808	5.7
189.16377	2.9
191.14380	1.9
195.11726	5.3
195.13748	2.4
197.13274	7.4
199.11252	3.1
199.14819	5.9
201.12788	3.8
201.16344	3.9
203.10799	2.3
203.14307	3.6
205.12254	1.8
209.13304	4.0
211.11255	2.3
211.14845	3.0
213.12886	3.4
213.16391	5.2
215.14357	3.5
215.17934	2.2
221.15417	2.3
227.14323	2.4
229.08557	1.6
233.15308	2.1
235.13187	4.6
235.16911	1.9
239.14453	3.1
241.19521	3.5
243.21176	7.4
247.09572	2.9
247.17068	2.1
249.14966	2.7
253.19554	2.0
259.20590	7.8
261.22131	24.4
261.24646	2.8
262.22455	3.5
271.20679	3.1
273.22137	4.9
275.16641	2.7
275.20053	3.2
277.14325	2.6
277.21695	8.7
279.23239	3.4
283.20480	3.0
285.22122	5.1
289.18445	1.6
289.21539	7.8
291.23248	4.1
295.15454	2.5
297.21838	1.9
301.21674	6.4
303.23227	15.7
313.21555	2.3
315.23209	7.3
318.24777	1.8
319.22986	3.8
323.23709	2.4
327.23328	7.7
335.18521	2.0
335.25699	1.9
341.24579	8.7
345.24216	4.9
351.23166	8.6
353.26572	8.4
357.24176	2.4
359.25793	2.1
369.24277	28.3
387.25302	24.6
388.25494	1.8
405.26385	23.8
406.26700	1.9
423.27344	5.9
429.22797	2.2
543.37073	2.4
578.37683	5.7
579.36499	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.3
55.01876	4.7
55.05511	20.7
57.03434	8.5
57.07075	5.3
57.56238	3.1
65.03940	5.0
67.05505	57.0
69.07059	21.6
71.05006	5.3
79.05495	53.9
81.03429	5.5
81.07056	52.1
82.07404	3.6
83.08618	17.6
90.35976	3.2
90.73160	3.4
91.05485	41.1
93.07039	76.9
95.04964	13.1
95.08607	59.6
97.02890	3.8
97.06524	11.1
99.25996	3.9
103.05484	5.1
105.07034	54.3
107.04957	11.1
107.08593	53.2
109.06543	5.6
109.10175	14.8
111.11750	3.1
117.07008	16.7
117.45917	3.5
119.08599	19.9
120.08942	3.1
121.06509	7.1
121.10146	30.6
123.11665	5.8
131.08554	16.2
133.10126	54.0
135.08058	5.3
135.11688	62.5
137.09613	9.2
139.11246	3.2
145.10107	33.7
149.09651	4.0
149.13239	5.8
154.26314	3.6
159.11610	5.9
161.13274	4.5
163.11182	54.9
181.12216	8.7
187.14787	3.8
211.09621	8.2
227.12775	98.4
235.13310	4.0
237.14912	9.2
243.21140	4.2
261.22214	7.7
273.14935	5.4
283.15411	55.2
291.05759	3.5
335.25793	100.0
336.26132	7.0
343.19046	8.2
354.67172	3.8
370.25977	3.8
425.19638	4.9
445.22314	5.1
481.54144	4.5
543.36841	56.3
544.37341	7.9
561.31873	7.5
578.31543	7.4
579.32697	11.1
609.42932	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	578.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.4
55.05512	23.4
57.03441	13.5
57.07078	4.1
65.03947	5.4
67.05506	66.5
68.05840	5.3
69.07071	23.1
79.05491	51.7
80.05811	3.5
81.07062	58.7
82.07401	3.1
83.04970	4.9
83.08624	11.4
85.06548	5.5
90.30265	2.6
91.05486	37.3
92.05840	3.4
93.07043	62.9
95.04962	7.9
95.08612	57.5
96.08924	2.9
97.06560	3.3
97.10173	5.0
97.68391	2.9
98.54738	2.5
99.04408	3.2
99.06891	2.8
99.08073	3.5
105.07038	50.7
107.04932	6.0
107.08607	41.4
109.06557	3.2
109.10175	13.9
111.08057	3.1
113.06040	4.1
117.07049	10.8
119.08579	16.2
120.08921	2.8
121.06504	4.5
121.10127	18.5
123.11713	4.0
123.21001	2.8
131.08554	12.7
133.10130	61.4
135.08110	4.4
135.11702	46.1
136.12054	3.1
145.10123	27.3
147.11684	5.0
149.13319	4.4
153.05501	7.3
159.11714	6.8
161.13254	3.3
163.11171	43.7
168.83821	2.8
175.14830	4.0
181.12256	7.6
185.13269	3.2
211.09634	12.4
217.86504	2.8
227.12785	64.3
261.22122	7.1
263.83719	3.1
267.16119	4.1
273.14856	9.0
283.15338	28.5
335.25787	100.0
336.26068	10.3
343.18958	6.4
471.18021	2.6
488.92972	3.2
543.36896	43.1
544.36975	6.8
579.33313	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	579.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36034	0.6
55.01869	2.1
65.03944	1.1
67.01852	0.8
67.05490	1.0
68.99785	6.6
69.81065	2.5
79.05476	1.1
81.03418	3.4
89.03905	0.8
91.05440	0.7
93.03408	0.7
95.04964	1.6
97.02879	0.9
99.04450	0.7
107.04951	4.0
109.02863	3.3
111.00799	2.4
111.04446	2.6
115.05444	0.7
117.03378	0.8
119.04937	2.2
121.02861	1.9
123.04426	49.0
124.04796	0.9
127.03908	100.0
128.04195	1.8
129.06990	0.7
131.04913	2.3
135.04407	30.1
136.04784	0.7
137.02348	5.5
139.03891	63.6
140.04242	1.5
141.07007	1.7
143.04893	0.9
145.02756	0.8
145.06474	0.7
147.04399	7.6
149.02374	4.5
149.05980	1.2
151.03896	14.3
153.06975	0.8
155.04884	0.9
157.06531	0.7
159.04410	2.8
161.05968	4.9
163.03896	39.6
164.04465	0.7
165.05484	7.5
167.03392	7.9
169.06476	1.8
173.05974	2.9
175.03891	4.9
177.05464	3.9
179.03352	5.0
181.05037	1.2
181.06476	1.2
183.04466	0.8
183.41403	0.6
185.05974	1.7
186.90697	0.7
187.03844	5.2
189.05496	2.1
191.03371	12.8
193.05029	4.0
197.05930	3.9
201.05479	5.6
203.03374	10.8
203.07037	1.5
205.04980	2.5
207.06483	1.2
213.05466	2.7
215.03453	2.3
215.07079	2.7
217.04945	2.0
225.05428	1.6
229.04959	8.8
230.05655	1.1
231.06497	2.6
233.04428	6.9
241.04982	0.9
243.06555	4.3
245.04448	9.5
247.06006	20.6
248.06386	1.2
251.05571	1.6
255.06535	2.8
257.04434	13.7
257.07162	0.9
259.06009	12.7
269.04523	3.2
271.06006	18.9
273.07510	1.6
275.05478	18.5
276.05804	0.7
283.05994	8.4
284.06335	0.9
285.07632	0.9
287.05466	28.0
288.05862	1.8
289.07037	11.3
291.08627	12.9
292.09167	0.6
299.05450	3.9
301.07077	16.7
302.07379	1.2
303.08597	2.5
398.78802	0.8
409.09109	25.3
410.09515	2.3
411.10715	2.1
421.08899	1.1
427.10254	6.1
427.32553	0.6
435.10739	1.1
439.10123	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1494
Annotation	Kaempferol 3-(2''-(Z)-p-coumaroylrhamnoside)
Peak:m/z	Relative Intensity
51.02397	1.0
53.03950	1.5
55.01866	2.0
65.03942	1.1
67.05511	1.6
68.99785	4.3
69.58065	3.0
74.35059	0.7
76.38052	0.6
77.03913	1.4
79.01900	0.8
79.05479	1.3
81.03419	2.8
85.02911	1.4
89.03951	0.8
91.05473	1.7
93.03407	0.8
95.04983	2.2
97.02906	1.1
98.22581	0.8
99.04441	1.1
105.03384	2.1
107.04958	5.0
109.02868	4.0
111.00817	2.5
111.04442	2.9
115.05439	1.1
115.14078	0.7
117.03398	1.1
119.04942	5.7
121.02842	2.1
123.04428	100.0
124.04751	1.9
127.03913	90.8
128.04237	2.2
131.04918	2.6
133.06468	0.8
135.04411	34.3
136.04730	0.8
137.02318	4.7
137.03282	0.9
139.03896	33.8
140.04182	0.8
141.07027	1.6
143.04927	0.8
145.02800	0.9
145.06587	1.1
147.04402	15.0
149.02284	3.5
149.05934	1.8
151.03870	6.6
153.01826	16.3
153.03006	0.8
159.04430	3.9
159.08015	0.7
161.05957	5.6
163.03900	38.2
164.04272	1.1
165.05481	8.1
167.03410	6.9
169.06459	1.3
171.02850	1.7
171.04367	0.8
173.05963	4.0
175.03818	3.2
177.05453	3.4
179.03380	5.5
179.07014	0.9
181.04935	1.8
181.06404	0.9
183.04379	1.4
185.05966	1.6
187.03894	6.4
189.05476	5.8
191.03395	10.5
193.04962	6.5
197.05972	3.5
201.05496	5.5
203.03378	10.4
203.07086	3.2
205.04909	2.2
207.06511	2.1
213.05458	3.1
215.03406	1.7
215.06982	2.5
217.04985	4.5
225.05418	1.2
227.07034	0.9
229.04936	7.5
231.06543	1.6
233.04454	3.0
235.02693	0.7
237.05391	0.8
241.04890	2.6
243.06511	5.3
245.04425	12.6
246.04832	0.8
247.06015	16.6
248.06558	0.7
253.04797	1.6
255.06441	3.1
257.04440	18.0
258.05112	2.5
259.06018	5.6
269.04428	3.7
271.05991	21.6
272.06119	1.1
273.07483	2.2
275.05508	14.6
283.06006	6.9
285.07553	2.5
287.05505	38.7
288.05899	1.6
289.07050	8.9
291.08630	9.6
292.09149	1.0
295.06088	1.1
299.05518	8.1
301.07028	9.0
303.08618	4.4
313.06952	1.8
315.07208	0.9
333.09665	1.0
409.09146	30.7
409.14529	1.6
410.09479	1.9
411.10901	4.4
421.09012	1.2
427.10098	6.6
433.09302	0.9
435.10721	5.0
439.10190	3.8
579.15564	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1492
Annotation	Procyanidin B6
Peak:m/z	Relative Intensity
53.03935	1.3
54.05793	0.5
55.01859	1.1
65.03925	0.8
67.01881	0.9
68.99782	4.8
69.44300	1.4
69.44702	1.8
77.03926	0.8
79.05495	0.6
81.03410	1.7
88.68480	0.6
89.03884	0.7
91.05448	0.6
95.04993	1.2
98.22475	0.9
99.04449	0.8
103.05476	0.6
104.28934	0.5
105.03403	0.8
107.04947	3.2
109.02872	3.0
109.80709	0.5
111.00791	2.2
111.04427	2.4
119.04928	1.2
121.02873	1.3
123.03508	1.2
123.04424	33.9
127.03908	100.0
128.04259	1.4
131.04912	1.9
135.04410	26.1
136.04721	0.7
137.02327	2.2
139.03889	38.4
140.04218	1.1
141.06993	1.2
143.04893	0.8
145.06511	1.0
147.04398	5.0
149.02303	4.1
149.05975	1.3
151.03911	6.1
153.07021	0.9
154.74658	0.6
155.04897	0.6
157.06442	0.8
157.58394	0.5
159.04422	2.8
161.06000	3.0
163.03894	32.6
164.04276	0.6
165.05498	4.1
167.03407	7.7
169.05119	0.7
169.06511	1.7
171.75056	0.5
173.05984	2.6
175.03920	3.0
177.05446	3.8
179.03368	2.4
181.06439	0.8
183.04420	1.4
185.05968	1.1
187.03882	5.1
187.05249	0.7
187.07471	0.8
189.05455	2.2
191.03366	8.5
193.04967	3.0
197.05977	3.4
201.05437	5.8
203.03381	6.6
203.06953	1.5
205.03284	0.6
205.04907	2.6
207.06544	1.1
213.05447	1.0
215.03394	1.5
215.07001	2.8
225.05406	1.3
229.04987	5.4
231.06537	1.4
233.04388	5.4
237.05402	0.7
241.04950	1.1
243.06508	4.6
245.04424	4.7
247.05998	13.6
248.06541	0.5
251.05634	0.9
253.04921	0.6
255.06572	1.0
257.04425	6.4
258.05063	0.6
259.06009	6.5
260.06262	1.0
269.04507	1.5
271.06000	18.8
271.08954	1.1
272.06378	1.1
273.07593	0.7
275.05466	14.1
276.05890	1.2
283.05978	6.1
287.05484	17.8
288.05847	0.8
289.07095	7.7
291.08572	8.5
299.05487	2.8
299.08386	0.6
301.07056	8.5
302.07391	0.6
303.08679	1.7
311.05429	0.8
391.07751	0.6
409.09131	16.5
410.09738	1.3
411.10654	2.5
421.08673	1.0
427.10272	2.9
552.16833	0.6
553.36517	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1494
Annotation	Robinetidinol(4alpha-6)catechin
Peak:m/z	Relative Intensity
53.03941	1.3
55.01869	1.5
56.92732	0.5
59.83428	0.6
65.03940	1.1
67.01858	0.8
67.05463	0.7
68.99787	4.5
70.67805	1.3
77.03928	0.9
79.05497	1.0
81.03418	4.6
89.03903	1.1
93.03389	0.6
95.04990	2.1
97.02895	0.8
99.04437	1.2
105.03410	0.8
107.04984	3.6
107.05636	0.6
109.02911	3.7
111.00801	2.3
111.04460	3.4
115.05447	0.7
117.03362	0.6
119.04932	2.1
121.02850	2.1
123.04430	44.3
124.04765	0.8
127.03913	100.0
128.04257	2.1
131.04948	1.9
135.04413	30.7
137.02332	3.7
137.05928	0.8
139.03899	50.2
140.04250	1.6
141.06947	0.8
143.04919	0.9
145.02823	0.8
145.06503	1.1
147.04393	6.6
149.01274	0.6
149.02345	4.0
149.05962	1.9
151.03888	7.2
153.01848	0.6
157.06496	1.0
159.04404	2.9
161.05965	2.7
163.03900	35.0
164.04288	1.2
165.05505	7.2
167.03395	8.4
167.06998	1.7
169.05090	0.6
169.06497	1.8
173.05949	3.1
175.03864	3.5
177.05495	4.0
179.03387	2.9
181.04926	1.5
181.06483	0.8
183.04402	1.2
185.05984	1.2
187.03847	6.4
189.05522	2.7
191.03386	12.6
193.04930	3.4
197.06004	4.1
201.05457	6.7
203.03380	10.2
203.07018	2.6
205.04997	2.8
207.06473	1.0
213.05487	1.7
215.03397	2.0
215.07019	2.4
217.04964	1.2
220.85710	0.6
225.05458	1.0
229.04977	7.2
231.06534	1.4
233.04482	5.3
241.04836	1.6
243.06551	4.2
245.04437	6.4
247.06007	15.1
248.06323	0.8
253.04965	1.0
255.06479	1.6
257.04489	8.0
258.04968	0.6
259.05984	8.0
265.05173	0.6
269.04437	2.5
271.06003	16.5
272.06287	0.9
273.07635	0.8
274.85629	0.7
275.05487	17.3
276.05753	1.6
283.06006	7.7
287.05511	21.8
288.06082	1.2
289.07043	10.6
291.08591	11.2
297.07712	0.8
299.05585	3.5
301.07071	14.2
303.08588	2.5
311.05392	0.7
391.07858	0.8
407.64890	0.7
409.09122	21.7
410.09543	2.5
411.10837	2.9
421.09204	1.2
427.10245	5.3
439.10233	0.9
440.11252	0.5
458.23227	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1497
Annotation	Robinetidinol(4alpha-6)catechin
Peak:m/z	Relative Intensity
51.02386	1.3
53.03947	1.3
55.01876	2.2
64.56600	0.6
65.03938	1.6
67.05505	1.2
68.99790	4.4
69.03424	2.2
71.31569	1.0
74.04281	0.8
77.03940	1.8
78.04720	1.0
78.64347	0.6
79.05494	1.9
81.03414	2.2
85.02905	3.4
91.05487	2.4
93.03416	1.0
95.04980	2.9
97.02898	1.2
99.04425	0.8
103.05460	1.5
105.03387	1.4
105.07015	0.7
106.04175	0.8
107.04970	4.3
109.02887	2.3
111.00805	2.0
111.04440	2.6
115.05461	2.1
117.03402	0.8
117.07005	3.3
119.04926	4.2
121.02877	1.6
123.04434	100.0
124.04739	1.2
127.03918	58.4
128.04254	1.5
129.06987	1.0
131.04909	1.6
135.04419	26.9
137.02333	3.2
137.05977	1.4
139.03903	29.7
141.06967	1.1
143.04919	1.5
145.06499	3.4
147.04414	14.3
149.02322	3.2
149.05962	1.9
150.14830	0.6
151.03879	5.5
152.04692	0.8
153.05467	0.7
155.04959	0.8
155.06052	1.5
157.06538	1.3
159.04396	2.3
161.05997	5.4
163.03909	32.8
164.04373	1.1
165.05495	8.6
167.03432	4.6
167.07043	39.1
168.07339	1.0
169.06476	1.7
171.46559	0.8
173.05962	10.4
175.03845	3.0
177.05412	3.2
179.03407	4.6
179.07091	1.0
181.04987	10.8
181.06462	0.9
185.05940	1.2
187.03851	4.8
189.05513	3.1
191.03398	9.7
193.04994	8.0
197.05853	2.9
201.05467	5.2
203.03400	11.9
203.07018	1.7
205.04912	1.5
205.08617	2.2
207.06584	1.9
211.07671	0.7
213.05489	3.8
215.03432	1.6
215.06984	2.4
217.04991	3.0
225.05453	2.1
229.04962	6.2
231.06477	2.2
233.04524	2.2
233.08116	2.2
235.09642	1.7
239.07050	0.6
241.05029	1.8
243.06514	2.8
245.04469	14.3
247.06026	13.8
253.05014	1.2
255.06531	3.0
257.04443	14.9
258.05215	2.5
259.06018	4.8
269.04483	2.6
271.06003	15.4
272.06238	0.8
273.07614	2.6
275.02750	1.0
275.05524	12.9
276.05823	1.0
283.05972	7.0
285.07544	1.7
287.05499	37.4
288.05844	1.9
289.07025	6.7
291.08588	7.4
299.05481	10.3
300.05637	0.8
301.07065	10.2
303.08630	2.3
311.05685	0.9
313.07214	0.7
315.08386	0.7
325.06934	0.8
350.54108	0.7
367.08145	0.8
373.08908	0.9
387.14429	7.3
391.08087	1.3
409.09189	31.2
410.09482	1.8
411.10403	3.0
417.10062	1.0
417.15302	5.1
421.09082	2.4
427.10275	3.3
435.10773	5.2
439.10498	4.0
451.09958	0.9
453.11780	1.0
579.20605	15.7
579.33704	1.0
580.20862	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1491
Annotation	Robinetidinol(4alpha-6)catechin
Peak:m/z	Relative Intensity
51.25717	0.5
51.96222	0.6
53.03935	0.9
55.01862	2.1
65.03927	1.2
67.05493	1.1
68.99783	4.6
69.03416	0.6
70.06560	0.6
71.31958	0.5
77.03909	0.8
79.03085	0.6
81.03410	3.3
85.02896	0.8
89.03914	1.0
91.05467	1.0
92.65770	0.5
93.03401	0.8
94.90926	0.6
95.04950	1.5
99.04460	0.8
103.05538	0.7
105.03415	0.6
107.04965	2.8
109.02866	3.4
111.00806	1.5
111.04446	2.8
117.03340	0.6
119.04927	1.9
121.02853	1.5
123.04422	38.9
124.04755	0.6
127.03906	100.0
128.04251	1.6
130.08580	0.5
131.04913	2.7
135.04405	29.8
136.04755	1.1
137.02332	2.7
139.03891	45.6
141.06950	1.3
143.04913	1.2
145.06487	1.5
147.04378	6.2
149.02301	3.9
149.05983	2.2
151.03891	8.9
153.01927	0.7
153.06935	0.7
155.04939	0.8
159.04324	2.7
161.05994	3.1
163.03897	33.0
164.04192	1.3
165.05473	4.5
167.03391	6.5
169.06522	1.4
173.05992	2.7
175.03831	3.3
177.05466	3.2
179.03365	3.5
181.05022	0.8
181.06564	0.7
183.04362	0.9
185.05971	1.7
187.03894	5.4
187.07509	0.7
189.05467	2.0
191.03381	10.3
193.04947	3.9
197.05969	3.7
201.05470	5.5
202.89066	1.3
203.03369	7.6
203.07060	1.7
205.04962	3.4
207.06506	1.2
213.05481	2.3
215.03433	1.2
215.06982	2.9
217.04967	1.8
225.05449	1.1
227.06987	0.6
229.04961	6.1
231.06532	1.7
233.04395	6.0
235.56416	0.6
241.04982	2.1
243.06534	4.4
245.04457	6.8
247.06015	15.1
251.05548	1.3
253.04994	0.8
255.06580	0.8
257.04422	7.0
258.05188	0.8
259.06033	8.9
261.07437	0.8
269.04419	2.2
271.05984	17.0
272.06323	1.0
273.07559	1.7
275.05478	14.4
283.05991	6.2
287.05472	19.9
288.05923	0.9
289.07062	9.6
291.08618	8.2
297.00760	0.8
299.05441	3.1
301.07025	8.3
303.08444	1.4
306.90146	0.7
309.06302	0.8
311.05661	0.6
391.08209	0.7
409.09174	19.1
410.09277	1.4
411.10593	2.2
421.09036	0.8
427.10214	3.7
439.10046	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.5
53.32969	0.2
55.01854	0.3
57.03428	0.2
60.39835	0.2
61.02906	0.3
65.03948	1.1
66.30443	0.2
67.05482	0.5
68.02665	0.2
68.87153	0.2
68.99780	0.2
69.03127	0.2
69.03425	1.8
69.69441	0.6
73.02890	0.3
74.87018	0.2
78.04720	2.2
79.05497	1.0
81.03397	0.7
82.04184	0.4
85.02486	0.2
85.02906	2.8
86.93508	0.2
87.04472	0.2
91.05473	1.0
93.03380	0.4
95.04947	0.6
96.05748	0.3
97.02905	0.9
97.06524	0.5
98.22649	0.4
99.04462	0.3
103.05484	1.4
106.04169	1.5
107.04995	1.7
108.02035	0.3
109.02859	0.6
110.03642	0.8
111.04507	0.2
111.08057	0.2
115.05455	2.9
117.07019	5.6
119.08575	0.3
121.02822	0.3
122.03607	0.3
123.04432	6.9
124.05254	1.8
125.05992	0.4
127.03936	1.5
127.05431	0.9
127.57224	0.2
131.04929	0.4
134.03577	0.3
135.04384	0.4
137.02339	0.2
137.05952	0.4
138.03073	0.4
139.03879	0.5
142.02580	0.6
143.04926	0.4
145.05321	0.4
145.06490	7.7
146.06798	0.3
147.04393	0.3
147.08035	0.4
151.03925	1.5
152.04698	1.7
153.05417	0.6
155.04878	0.2
155.06041	3.9
155.07228	0.3
161.05957	0.3
163.03917	0.5
164.08911	0.2
165.05511	0.3
167.07037	100.0
168.07387	3.5
171.06476	0.6
173.05984	20.4
174.06418	0.6
175.07559	0.8
181.04953	21.1
182.05273	0.7
189.05508	0.2
201.05489	0.7
203.07098	0.2
205.08626	3.8
206.08958	0.3
221.08083	0.2
229.04955	0.2
233.08084	5.0
235.09642	3.6
236.09978	0.3
271.34436	0.2
275.05276	0.2
355.11871	0.3
369.13428	0.2
387.14371	16.5
388.14694	1.1
417.15417	10.3
418.16010	1.0
579.20697	36.4
580.20929	3.7
597.21838	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.22
Annotation	ES-242-4
Peak:m/z	Relative Intensity
55.05509	0.4
60.74997	0.3
75.83916	0.3
79.05476	0.3
91.05504	0.3
100.11234	0.5
107.05016	0.3
109.44911	0.3
119.08552	0.3
123.04432	0.5
127.03938	0.8
135.04402	0.5
137.05930	1.7
139.03961	0.7
143.79550	0.3
151.03944	0.5
153.01782	0.4
159.04224	0.5
159.28389	0.3
161.05904	0.3
163.03979	0.4
181.04987	0.6
185.05902	0.3
189.05330	0.7
204.07576	2.7
215.06882	0.5
231.06468	0.3
233.09644	0.3
271.06183	0.3
323.12595	0.3
349.10580	0.3
351.11807	0.5
352.12875	0.5
364.12842	0.4
367.11902	0.5
382.13928	0.6
517.69470	0.4
549.20697	0.8
561.21332	0.4
578.42310	0.3
579.21979	100.0
580.22296	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	579.2201
Annotation	ES-242-4
Peak:m/z	Relative Intensity
60.81554	0.6
65.39105	0.7
70.96320	1.1
79.01793	1.4
79.85455	0.7
85.02872	1.0
93.06963	0.9
106.25865	0.7
107.04919	0.9
123.04340	2.2
127.03830	3.2
128.01801	0.7
135.04311	2.2
137.05806	0.9
139.03871	1.6
139.06953	0.7
146.03296	1.9
151.03874	1.3
153.00624	0.8
153.01810	11.2
153.02980	0.7
159.04124	1.4
167.06989	1.6
175.03584	0.9
176.17310	0.6
180.88954	0.8
188.04221	0.7
189.02266	0.7
189.05232	1.3
201.08667	0.6
204.07568	8.6
227.06712	2.1
231.06306	1.1
245.07787	4.5
277.10455	23.6
278.10883	1.7
279.06131	0.9
294.08646	9.4
295.09360	1.6
303.57611	0.8
325.10437	100.0
326.10748	6.6
343.11578	2.2
366.12878	1.4
409.09024	0.8
456.94070	0.7
474.35828	0.7
479.67996	0.9
534.35858	0.7
561.21069	2.6
579.22119	66.2
580.22400	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	579.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13829	0.5
53.03924	2.0
55.01876	2.8
55.05494	1.2
57.03432	0.6
57.36108	0.5
58.96043	0.4
65.03935	7.1
67.05499	4.1
69.03426	2.4
69.07047	1.3
71.32795	0.9
71.94046	0.5
77.03910	0.7
78.04684	1.6
79.05493	10.2
81.03396	2.1
81.07051	3.0
82.04182	2.0
83.04968	0.7
85.02894	3.7
89.03893	1.2
90.03843	0.5
91.05473	19.0
91.40816	0.5
92.05762	0.5
92.06277	2.8
93.03384	2.2
93.07018	1.8
95.01299	0.6
95.04963	4.2
95.08592	1.9
97.02892	0.9
97.06520	2.4
99.04425	0.5
101.05992	0.6
103.05465	7.2
105.03413	0.8
105.04473	0.9
105.07028	11.6
106.04196	0.5
106.07333	0.6
107.04251	1.1
107.04945	21.6
107.08596	1.2
108.02099	0.9
108.05268	0.8
109.06502	0.6
109.10160	1.2
110.03638	2.8
111.04427	1.5
115.05445	8.1
116.06248	0.9
117.07015	5.4
118.04130	1.8
119.04916	6.1
119.08565	1.4
120.05730	6.1
121.02839	0.5
121.06515	2.9
121.10117	0.7
122.03563	0.6
123.04396	2.0
124.05219	1.3
125.05952	2.5
127.03905	0.7
128.06221	1.3
129.06993	2.2
130.07779	0.7
131.04904	5.5
131.08553	1.7
132.05695	0.8
133.06490	6.3
133.10095	1.1
135.04422	3.8
135.11639	0.5
137.05074	0.7
137.05991	7.4
138.03119	1.1
139.03839	1.3
139.07574	0.6
141.06923	0.8
142.02583	2.4
143.04877	1.7
143.05934	0.5
145.06468	6.8
145.10054	0.9
146.07082	0.6
147.04404	7.6
147.08044	2.3
147.11707	0.6
148.05179	9.2
148.63129	0.5
149.02335	0.7
149.05949	0.6
151.03889	2.4
151.07510	0.9
152.04616	0.8
153.05460	2.6
154.06212	1.5
155.04881	0.8
155.06018	2.2
155.07098	0.6
157.06502	1.7
158.07237	1.5
159.04436	1.5
159.08000	1.5
160.05177	0.8
161.05986	10.1
162.06726	0.7
163.03886	1.2
163.07561	1.1
165.05472	22.3
166.02676	0.6
166.06142	0.8
167.07030	25.8
168.07629	1.2
171.04428	0.6
171.06541	4.3
172.05202	0.7
173.05978	5.3
174.06735	0.9
175.03899	0.8
175.07515	2.9
177.05455	2.0
179.03285	0.7
179.07033	1.4
180.07791	0.8
181.04945	100.0
182.05304	3.4
185.05981	1.3
186.06709	0.9
187.07497	1.1
189.05484	2.1
190.06247	1.0
191.07051	2.9
193.08566	1.3
195.06509	1.0
201.05467	1.9
202.06178	0.6
203.07031	2.7
205.04930	3.4
205.08594	8.8
207.06320	0.6
208.07306	2.2
211.07426	0.6
211.13333	0.6
214.06227	1.6
217.08481	1.0
219.06471	2.4
220.07286	10.1
221.08028	3.7
226.08276	0.9
231.06410	1.0
233.07977	2.7
234.08789	3.2
235.09627	7.8
241.08543	0.6
249.09190	0.9
265.08517	0.6
271.09940	0.7
277.08438	1.1
291.10101	1.7
292.10959	0.7
307.09708	1.2
317.10349	1.0
343.11755	1.1
349.10568	0.6
353.09955	0.6
355.11789	4.5
357.13483	0.7
367.11752	0.9
368.12589	1.5
373.12759	1.1
385.12781	25.3
386.13065	2.6
387.14148	2.0
397.12610	0.9
398.13544	11.8
399.13998	1.4
401.12354	2.4
415.13846	11.2
416.14618	73.3
417.15054	7.3
430.12592	6.6
495.93106	0.7
579.22473	2.5
579.32159	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.5
53.03941	1.0
55.05511	4.5
57.03441	0.4
57.07070	0.3
61.21547	0.3
63.79571	0.3
65.03939	0.9
67.05502	3.0
69.07070	0.3
69.16072	2.6
71.05006	1.0
77.03957	0.6
79.05492	5.9
81.07064	1.5
83.01340	1.0
83.04967	0.4
85.06555	0.3
91.05480	32.1
92.05824	0.8
93.07050	4.6
95.04965	2.1
95.08599	1.4
97.06569	0.7
98.22597	0.6
103.05441	2.5
105.07029	76.5
106.07368	1.7
107.08574	1.9
109.06510	0.9
109.10156	1.1
109.80190	0.3
113.06020	2.2
115.05480	1.6
116.06264	0.5
116.45588	0.3
117.07019	2.4
118.07807	1.8
119.08575	1.7
121.06528	0.6
121.10152	1.9
123.08049	0.8
123.11735	0.5
125.09655	0.5
129.07002	0.7
131.08566	6.4
133.10127	100.0
134.10370	2.8
135.08032	0.6
135.11679	0.7
137.05972	1.4
137.09616	1.6
139.07507	0.3
139.11183	1.0
141.05449	0.6
142.62477	0.3
143.08586	0.3
147.08069	0.6
149.09645	0.5
151.07506	0.4
151.11191	0.5
153.05463	4.6
155.07043	0.4
156.09427	0.3
157.10133	0.4
161.09660	0.3
161.13239	0.3
163.07576	0.9
165.09094	3.5
167.10747	0.3
175.07504	1.9
177.09163	0.4
179.07021	0.4
189.41524	0.3
191.07060	0.9
191.14261	0.5
192.07832	0.3
193.08595	9.1
205.08572	1.4
207.10191	0.5
209.08076	0.9
209.15311	0.5
211.09647	30.4
212.09952	1.1
213.12781	0.4
219.13669	0.4
223.09673	1.0
231.13741	0.6
235.13303	0.4
237.14827	3.0
247.13321	0.4
265.14410	0.8
269.11679	0.3
273.14853	3.3
297.14828	0.4
325.17932	0.7
343.15048	0.2
343.19009	5.7
353.84232	0.3
360.57065	0.4
376.78180	0.3
397.23706	0.7
429.16907	0.5
429.22714	9.9
430.22958	1.3
445.21967	0.4
447.23721	2.0
509.28802	0.5
561.32013	1.6
579.32178	2.8
580.32709	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.5
55.01892	0.9
55.05494	2.3
57.07091	1.4
63.72355	0.5
65.03926	2.5
67.05502	9.9
69.03456	0.8
69.06773	0.5
69.07068	2.5
69.24530	3.7
71.05016	1.4
79.05493	8.5
81.03429	1.1
81.07056	24.9
82.34519	0.5
83.05003	1.0
83.08665	1.4
85.06567	0.5
91.05476	15.1
93.07037	8.1
94.07394	0.6
95.04964	10.4
95.08599	5.6
95.09114	0.5
97.06591	1.1
105.07027	20.2
106.07353	0.8
106.65488	0.4
107.04987	0.5
107.08589	37.9
108.08954	1.0
109.06491	3.8
109.10149	5.0
111.08102	1.0
113.06048	1.1
117.07053	1.2
119.06046	0.9
119.08636	1.9
121.06584	0.7
121.10135	4.1
123.08124	1.6
123.11694	8.5
123.12493	0.5
129.07007	0.8
131.08607	1.9
133.10130	9.6
134.10542	0.7
135.11745	1.3
137.09634	2.8
139.76407	0.5
141.69429	0.5
145.10159	1.1
147.11708	1.2
149.09673	2.1
149.13261	0.7
151.11194	3.8
159.11697	0.7
163.11201	0.7
163.14861	0.7
169.10310	0.6
171.07950	0.5
175.07518	0.7
175.11098	0.7
177.09196	0.6
191.07011	2.9
191.14395	1.0
192.07855	1.5
193.08620	1.0
193.12193	0.7
205.08665	2.2
215.14372	0.5
217.08539	0.6
217.12234	0.9
219.06583	0.6
219.10222	0.5
219.13899	1.2
225.09134	0.6
229.08684	1.2
235.13495	0.6
241.08734	0.6
241.12224	0.7
243.10188	1.1
243.13898	1.4
244.07362	0.6
245.08162	3.2
245.11707	1.1
255.10356	1.1
257.08084	0.7
257.11758	1.5
258.08752	0.6
261.11203	0.7
269.11807	1.3
270.12421	0.9
271.13348	1.6
272.10452	0.6
273.11261	2.0
281.11710	2.3
283.09622	2.6
288.13852	1.0
289.14444	0.8
293.11795	0.6
295.16855	0.6
297.11310	5.6
297.14618	0.9
298.11798	0.6
299.12729	3.6
301.10806	1.2
307.13281	0.9
309.14719	1.0
310.12103	0.7
311.12625	0.7
313.17889	0.9
315.12231	8.5
315.15710	1.1
316.12885	0.7
317.13922	0.8
321.14703	0.5
323.16373	1.6
325.11096	0.8
325.14340	3.6
325.17648	0.8
326.15079	0.9
327.15973	0.9
329.13748	0.6
331.19235	1.0
335.12628	0.9
335.25751	1.4
338.11258	0.6
341.17517	2.6
343.11618	0.8
343.15222	4.2
343.18649	0.7
344.15985	0.8
351.15927	2.1
353.13788	9.5
353.26404	0.6
354.14175	0.6
359.18497	7.1
367.15399	2.0
368.16339	2.9
369.16812	4.7
369.20621	0.7
371.14713	4.9
383.22183	2.3
385.16415	2.5
387.17844	4.0
401.23242	3.1
411.21677	14.8
412.22141	1.4
429.22708	100.0
430.22998	7.8
449.23318	0.7
491.27722	1.5
543.30420	0.7
545.38269	0.7
561.32056	3.1
562.32501	0.7
579.32971	62.0
580.33380	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	579.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22031	0.4
50.22292	0.3
51.02372	0.6
53.03936	1.5
55.01870	0.5
55.05510	5.0
56.34211	0.4
57.07049	0.7
65.03931	1.4
67.05502	6.4
69.03426	1.0
69.07061	2.0
69.65776	1.9
71.04982	1.5
77.03922	0.5
79.05489	8.9
81.03388	0.4
81.07051	9.5
83.01329	0.8
83.04967	0.9
83.08615	0.9
85.06532	0.7
87.50496	0.4
91.05478	39.5
92.05797	1.0
93.07047	7.7
95.04961	6.1
95.08611	3.1
95.12059	0.4
97.06527	1.1
97.10162	0.5
98.23383	0.5
103.05466	2.7
105.07026	80.9
106.07317	2.1
107.04958	0.6
107.08589	10.8
109.06509	2.2
109.10146	2.3
111.04453	0.4
111.08106	0.8
113.05994	2.3
115.05441	1.6
116.06223	0.5
117.06999	2.5
118.07764	1.4
119.08591	2.7
121.06503	1.2
121.10146	3.7
123.08052	1.6
123.11706	2.7
125.05909	0.4
125.09621	0.9
131.08566	7.6
133.10124	100.0
134.10376	3.2
135.08037	0.9
135.11688	0.9
137.05957	1.5
137.09608	3.2
138.22983	0.4
139.11191	1.1
141.05460	1.1
143.08516	0.8
145.06392	0.5
145.10083	1.1
147.07983	0.7
147.11647	0.6
149.05943	0.6
149.09595	1.5
149.13213	0.6
150.10440	0.4
151.07494	0.4
151.11191	2.5
153.05470	4.9
157.06509	0.5
158.10884	0.4
159.11674	0.8
161.05989	0.5
161.13249	0.8
163.07518	0.6
163.11162	0.6
165.09117	3.3
167.10661	0.7
175.07529	1.9
175.11137	0.6
177.05453	0.4
177.09128	0.5
178.06259	0.5
187.11066	0.4
191.06996	2.8
191.10574	0.4
191.14330	1.3
192.07764	0.9
193.08571	9.3
193.10184	0.7
203.14297	0.8
205.08653	2.1
205.12227	0.5
207.10088	0.6
207.13817	0.4
209.08078	1.4
211.09628	21.9
212.10010	0.8
215.06883	0.5
215.10501	0.5
217.08612	0.6
219.10083	0.6
219.13925	0.6
223.09573	0.9
225.14885	0.4
229.08675	0.5
231.13693	0.6
235.13387	0.9
237.14825	3.0
245.08047	0.8
245.11723	0.5
247.13332	0.7
250.42763	0.4
255.13782	0.5
257.11819	0.9
261.11340	0.5
265.14362	0.5
269.11694	0.6
270.12396	0.4
271.13385	1.1
273.11621	0.8
273.14807	4.6
281.11752	1.1
282.12527	0.4
283.09625	1.3
287.12747	0.5
297.11169	1.7
297.14886	0.7
299.12747	1.6
301.10727	0.5
311.12604	0.5
313.17996	0.6
315.12280	3.5
323.16412	0.7
325.14288	1.6
325.17941	0.9
327.15860	0.5
341.17477	1.2
343.11832	0.7
343.15302	1.2
343.19043	5.8
344.16058	0.5
351.15781	0.7
353.13751	2.9
359.18552	2.5
367.15302	0.9
368.15936	1.0
369.16940	1.0
371.14569	1.0
371.18597	0.8
383.22192	0.7
385.16589	0.8
387.18027	1.3
397.23560	0.7
401.22946	1.3
411.21698	4.5
429.22705	46.6
430.23132	4.6
447.23532	1.4
455.24594	0.5
463.93454	0.4
471.98892	0.4
491.27689	1.5
509.28998	2.8
561.31989	4.5
579.33057	20.1
579.41290	1.1
580.33374	3.1
589.84332	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	10.9
55.01870	17.1
55.05510	35.4
57.03434	23.2
60.45165	2.8
61.02923	16.8
65.03941	5.2
67.05506	89.2
69.03435	10.4
69.07065	68.6
69.74835	14.6
70.06564	3.2
71.04990	5.0
72.13252	3.2
73.02916	5.2
79.05492	57.7
81.03429	15.1
81.07055	83.4
81.07503	6.3
83.04978	14.5
83.08627	18.0
85.02905	17.5
85.06551	8.3
85.68478	3.8
91.03959	6.5
91.05481	62.0
93.07043	65.5
95.04971	15.3
95.08606	62.1
95.09197	4.8
97.02888	11.9
97.06519	25.5
97.10170	13.6
98.23236	3.4
99.04437	6.6
103.03923	5.1
105.07038	47.9
107.04956	17.9
107.08587	29.7
109.06535	7.5
109.10152	57.1
109.10876	3.6
111.08068	10.0
115.05478	4.0
117.07007	18.0
119.08582	38.9
121.06501	8.2
121.10162	23.9
123.08082	11.6
123.11729	6.9
125.09650	9.6
127.03912	5.6
129.07057	10.1
131.08578	19.0
133.06522	5.7
133.10135	37.3
135.08072	8.2
135.11668	17.7
137.06010	4.4
137.09644	12.4
143.08560	6.3
145.10083	21.0
147.11679	17.2
149.09615	20.2
149.13234	5.1
151.03902	3.9
151.11192	9.5
155.10593	5.0
157.10124	5.4
159.11765	18.3
161.09714	3.3
161.13287	9.6
163.11179	14.6
167.07045	4.4
171.10130	16.5
171.11533	3.9
173.11739	17.8
173.13295	10.9
175.11252	5.4
177.12758	4.0
179.14424	5.3
187.11137	4.1
189.11203	4.2
193.12296	6.1
195.51346	4.0
229.14372	34.6
239.17986	3.8
243.16003	9.9
253.18073	10.0
255.15961	6.5
257.18994	12.6
263.09140	4.2
271.15546	5.2
275.20059	52.1
291.19409	6.9
293.21091	5.0
349.23737	100.0
350.24023	6.8
367.24841	10.7
374.84558	3.7
581.29645	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	580.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34240	3.6
53.03937	11.4
55.01866	17.4
55.05507	35.9
57.03436	17.9
61.02912	11.2
67.05502	100.0
69.03421	15.9
69.07065	65.7
69.22247	3.1
71.04974	10.7
71.32849	7.1
73.02899	4.6
79.05488	61.8
81.03423	18.4
81.07053	83.1
83.04957	12.2
83.08647	16.8
85.02890	17.3
85.06537	9.1
86.24281	3.2
87.13349	3.1
91.05480	60.4
93.07035	51.1
95.04984	18.4
95.08604	56.3
97.02859	8.7
97.06542	21.3
97.10153	9.7
103.03976	4.1
104.13594	3.3
105.03389	3.7
105.07025	56.8
107.04929	16.4
107.08598	37.6
109.02840	5.0
109.06494	8.5
109.10168	43.6
111.04449	6.3
111.08072	5.7
117.07008	16.2
119.08572	38.9
121.06486	7.4
121.10141	23.9
123.08044	12.7
123.11715	8.8
125.09641	12.0
125.50147	3.5
127.03930	8.0
128.06245	3.9
129.05501	4.4
129.06998	10.9
131.04837	3.7
131.08549	23.8
133.06488	4.1
133.10112	30.8
135.08061	5.1
135.11685	14.0
137.06018	6.9
137.09578	16.1
137.29814	4.2
140.19691	3.4
143.08516	8.6
145.10114	24.1
147.08032	6.6
147.11688	19.1
149.09615	28.6
149.13226	8.1
151.03851	8.1
151.07549	3.7
151.11206	8.4
155.08609	3.9
155.10612	4.1
157.10126	12.9
159.11713	16.1
161.09645	6.3
161.13246	13.8
163.03935	4.4
163.11192	15.5
165.09126	5.0
169.09950	4.8
171.10104	10.4
171.11537	6.4
173.11745	14.8
173.13228	10.2
175.11182	5.8
177.12756	5.1
179.14230	5.9
181.04974	4.6
185.13264	5.9
187.11253	3.8
187.13194	3.5
189.16222	3.8
193.12103	4.1
197.13234	5.4
211.13223	4.0
215.17882	4.3
229.14363	26.5
229.19464	6.3
239.17801	4.9
243.15852	7.0
247.20554	4.1
253.18039	8.8
257.18948	10.4
261.64777	3.8
271.15207	5.4
275.20071	46.8
293.20847	4.3
349.23685	57.9
367.24670	8.8
443.97202	3.3
581.29767	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73420	0.8
53.03938	1.1
53.90599	0.8
55.01859	1.1
55.05513	3.0
57.03427	2.3
57.07079	1.6
59.73103	0.8
61.02934	2.9
67.05505	4.3
69.03435	7.2
69.07062	4.6
71.04989	8.3
71.32546	1.2
73.02937	1.0
79.05502	6.5
81.03419	3.1
81.07059	42.0
82.07407	1.2
83.04991	1.3
85.02906	38.4
85.06528	1.6
91.03972	1.8
91.05486	6.9
93.07049	17.1
95.04977	1.2
95.08614	11.9
97.02898	10.2
97.06534	2.9
99.04446	3.1
99.08099	2.3
105.07037	29.7
106.07376	1.2
107.08595	19.1
109.02908	2.8
109.10163	16.8
111.08040	1.1
111.11714	1.2
113.09643	1.1
117.07024	1.6
119.08582	59.9
120.08922	1.6
121.10137	4.1
123.08070	1.0
123.11710	4.7
127.03915	11.3
127.11202	21.6
131.08545	1.3
133.10135	12.3
135.11696	33.9
136.12033	1.2
137.05969	1.6
145.04964	16.5
145.10158	1.7
147.11684	13.5
149.09641	1.1
149.13216	4.3
151.03897	1.4
151.11264	0.8
157.10178	0.8
159.11655	1.4
161.13289	5.7
163.06047	6.7
163.07384	1.2
163.14819	2.0
165.09198	1.1
165.12727	0.9
175.14790	1.8
177.05585	1.0
203.17947	41.3
204.18210	1.6
221.19005	100.0
222.19350	5.2
229.14484	1.0
239.20090	3.0
285.11288	1.8
330.02539	0.8
330.91443	0.9
342.12003	1.1
580.28656	1.8
581.29907	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02411	3.3
53.03946	17.4
55.01878	7.0
55.05514	33.0
57.03437	10.1
57.07068	5.2
65.03944	4.9
67.05508	97.6
69.03429	38.4
69.07076	25.5
69.33654	14.7
71.05012	12.3
73.02923	3.6
75.32944	2.3
76.97697	2.5
79.05495	80.7
80.05032	3.2
81.03420	72.3
81.07059	100.0
81.24483	2.6
82.07410	2.9
83.04990	11.5
83.08633	14.4
85.02900	23.2
85.06543	5.4
91.05483	56.5
93.07046	80.2
93.07609	4.8
94.07404	2.8
95.04978	14.5
95.08607	70.3
96.08933	5.0
97.02898	35.7
97.06527	8.6
97.10169	6.7
99.04488	9.5
99.08095	4.0
103.03968	6.7
104.90849	2.4
105.04539	2.6
105.07035	50.9
107.04987	5.2
107.08604	58.0
107.09338	3.1
108.04493	19.7
108.08952	3.7
109.02887	21.4
109.06530	8.8
109.10152	35.9
110.10540	2.5
111.04425	11.2
111.08100	4.8
111.11710	2.7
115.05456	3.9
116.06241	2.8
117.07019	21.0
119.04942	2.9
119.08584	41.3
119.19289	2.5
120.08929	3.4
121.06549	6.8
121.10145	43.2
123.04410	3.2
123.08067	8.8
123.11683	11.4
125.05926	2.6
125.09663	3.0
126.05527	4.8
127.03902	12.4
128.06259	4.5
129.05490	2.7
129.07037	14.0
131.08574	32.0
132.08908	2.6
133.06523	5.6
133.10155	23.8
135.04442	2.6
135.08067	8.4
135.11707	29.0
136.60437	2.5
137.09619	7.1
139.11258	3.4
141.07010	4.6
142.07800	2.5
143.08546	11.2
145.04962	4.7
145.06499	3.3
145.10133	27.3
147.04431	3.2
147.08080	5.6
147.11682	20.0
149.09665	6.2
149.13243	18.4
151.07585	2.6
151.11201	4.1
155.08542	9.9
157.06435	2.6
157.10168	9.3
159.08061	3.9
159.11667	20.2
161.09633	4.9
161.13303	13.0
163.07567	2.9
163.11209	3.6
163.14888	7.5
167.08600	4.3
169.10167	6.9
171.08058	3.0
171.11674	7.2
173.09702	3.3
173.13252	21.9
175.14862	8.6
177.12766	4.5
181.10092	3.5
183.11621	4.8
185.09518	2.2
185.13303	9.6
187.11218	4.9
187.14874	8.6
189.12772	4.9
189.16447	3.6
195.11763	2.7
197.13284	4.0
199.14835	4.3
203.07034	2.6
205.12242	2.7
205.15918	2.9
207.06570	3.4
209.13341	2.9
231.06508	13.7
231.13768	2.7
235.13185	4.7
239.14398	2.6
241.19507	4.0
243.21054	5.0
249.07550	4.0
259.20624	6.8
261.22107	21.5
277.21649	6.5
285.22116	3.3
289.21686	5.7
291.23160	4.7
303.23212	9.8
315.23224	6.2
319.23111	2.6
327.23184	5.2
341.24738	5.1
351.23215	6.2
353.26691	3.8
354.26990	11.7
369.24298	17.9
387.25330	14.4
405.26486	11.7
574.43280	3.1
580.34967	20.6
581.39423	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	580.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30572	1.1
53.29873	1.1
55.05506	3.0
58.43121	1.0
67.05501	4.2
69.03451	1.2
69.07080	3.2
69.31945	6.8
79.05482	3.8
81.07059	14.5
83.08620	1.6
85.06540	1.6
91.05483	4.0
93.07040	9.2
95.04990	1.1
95.08607	19.8
96.08930	1.4
97.06520	2.1
97.10175	1.1
105.07038	10.6
107.04951	3.5
107.08587	18.1
109.06513	5.5
109.10136	6.0
111.08072	2.8
115.62372	1.0
117.06973	2.1
119.08576	19.4
120.08923	1.3
121.06503	5.8
121.10146	13.2
123.08080	2.5
125.09624	1.5
131.08572	7.6
133.10121	12.5
135.08061	3.7
135.11682	8.4
139.07510	1.6
139.11220	1.1
145.10123	8.3
147.11670	25.9
149.09631	1.8
149.13263	1.6
154.93156	0.9
155.08542	1.1
157.10229	1.0
159.11697	4.3
161.09689	1.0
161.13280	4.4
163.14799	5.8
167.07034	3.2
173.07173	1.1
173.09653	1.3
173.13260	2.5
175.11275	1.1
175.14784	1.7
177.12720	2.7
177.16374	27.5
178.16772	1.6
181.08531	1.3
187.14810	32.7
188.15207	2.0
189.16389	15.8
191.14316	2.9
195.10199	5.4
205.15874	100.0
206.16183	4.7
207.17451	1.3
215.14401	1.1
217.15871	4.6
223.16945	11.7
233.11777	1.3
233.15364	9.4
235.16943	7.0
243.17468	1.4
249.18431	0.9
251.16411	31.5
252.16684	2.1
269.17493	24.8
277.17960	17.3
387.17938	1.1
545.34784	1.8
580.33575	3.1
581.36224	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02400	1.6
53.03946	5.5
55.01867	1.7
55.05511	18.9
57.03437	10.1
57.07074	2.3
57.57304	1.1
63.95135	1.2
65.03933	2.0
67.05503	42.3
67.42735	1.0
69.03429	2.4
69.07068	8.3
69.20893	10.3
71.05003	4.0
79.05489	34.2
80.05839	3.5
81.03418	24.9
81.06570	1.3
81.07054	35.4
83.04971	8.5
83.08624	9.8
85.02899	8.9
91.05477	58.2
92.05811	9.8
93.07039	34.4
94.07367	2.7
95.04964	12.1
95.08607	24.8
97.02906	2.0
97.06538	3.5
97.10132	1.7
101.05981	1.2
103.05477	3.0
105.04551	1.8
105.07027	100.0
106.07369	27.2
106.08048	2.2
107.04972	3.4
107.08586	13.9
109.06510	3.0
109.10152	9.1
111.08071	5.4
113.06000	4.2
115.05450	2.2
117.07020	4.6
119.08603	14.7
121.06538	2.1
121.10150	14.8
123.08084	2.9
123.11707	3.4
125.09602	1.8
129.07018	3.3
131.08568	15.3
132.08876	2.7
133.06422	1.6
133.10126	84.7
134.10458	25.7
135.08084	1.5
135.11703	8.4
137.05980	2.4
137.09613	4.6
139.11244	1.8
142.07755	1.6
145.10109	4.6
147.08029	2.2
147.11673	7.1
149.09639	3.2
149.13223	2.2
153.05447	7.2
157.10132	6.7
159.11690	2.0
161.13260	3.2
163.11171	1.7
165.09189	2.2
165.12735	1.6
173.13263	2.3
175.07524	2.3
175.11211	5.1
184.90567	1.4
191.07126	1.7
193.08643	9.1
193.10399	2.1
193.12221	20.2
194.08945	3.6
196.92619	1.2
205.08522	1.7
211.09647	22.7
211.13258	23.5
212.10017	10.0
217.08366	1.3
223.09711	1.2
229.08562	1.2
235.63335	1.3
237.14825	2.2
261.22086	3.3
267.15842	4.8
274.15042	2.3
285.16934	16.5
317.24710	1.8
327.15753	1.3
335.25797	43.6
336.26340	1.5
343.18939	2.1
344.19467	5.0
398.23926	1.5
421.47244	1.2
429.22900	2.3
430.22980	7.1
527.37073	3.7
545.30573	2.3
545.38306	22.5
546.38312	2.8
562.32758	2.0
580.33234	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	580.421
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	3.8
53.03946	9.0
55.01877	5.1
55.05515	40.3
57.03433	22.2
57.07076	6.4
65.03922	4.1
67.05504	75.9
69.03439	8.5
69.07066	21.6
71.04993	10.2
79.05492	80.5
81.02962	4.5
81.03423	69.0
81.07055	67.8
83.04993	26.1
83.08617	31.1
85.02900	20.9
91.05483	72.9
92.05815	7.2
93.07053	77.4
94.07356	3.6
95.04965	37.2
95.08611	51.2
97.06540	6.7
97.10161	5.9
98.22511	8.4
100.39242	3.8
105.07030	82.0
106.07377	9.7
107.04948	8.0
107.08589	58.9
109.06506	8.7
109.10169	19.2
110.10520	4.2
111.08080	8.4
113.06052	4.4
117.07068	7.1
119.06099	3.6
119.08575	26.9
120.72388	3.9
121.10130	24.4
123.08053	6.9
123.11734	5.6
125.09622	6.3
129.07018	15.4
131.08549	21.6
133.10129	60.2
134.10425	20.1
135.08066	13.4
135.11662	29.5
137.09566	6.6
139.11179	9.2
145.10115	8.3
147.11700	22.2
149.09628	6.2
149.13271	7.5
153.05376	19.4
157.10155	15.6
161.13342	4.0
163.14789	5.1
165.09123	7.7
173.13307	3.7
175.07590	3.8
175.11205	14.0
191.14291	5.2
193.08603	11.4
193.12213	52.3
205.08667	6.2
209.08047	6.1
211.09732	35.2
211.13269	98.1
217.15646	4.5
223.09567	8.0
229.33604	5.6
237.14862	11.2
261.22305	6.7
267.15894	12.5
273.15030	5.5
275.12720	5.2
285.16946	55.7
327.15924	4.7
335.25797	79.0
336.26141	5.8
345.16989	17.8
367.90588	4.1
422.42035	4.3
423.17490	5.0
429.16837	4.2
429.22867	6.7
430.23395	5.9
493.18451	6.3
527.37347	5.5
545.38348	100.0
546.38367	10.6
563.22620	31.9
580.33539	11.7
581.23694	9.0
581.38879	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	580.4568
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28776	2.6
53.03952	3.1
54.48274	3.0
55.01859	13.3
55.05503	12.1
55.05765	3.0
56.54849	3.4
57.03429	11.1
57.07072	13.2
67.05495	27.4
68.69505	3.1
69.07053	8.0
71.04980	3.7
71.08646	7.6
71.33707	4.6
79.05486	17.4
81.07056	18.7
83.04974	20.3
83.08634	7.4
85.06520	11.9
85.10175	3.0
91.05470	20.2
93.07054	14.9
95.04948	5.1
95.08609	29.2
96.28780	2.9
97.06527	10.9
97.10178	4.6
99.08076	10.5
99.58476	2.7
105.07025	18.7
107.04973	3.4
107.08611	12.6
109.06490	5.5
109.10159	12.7
113.06005	3.4
117.07003	11.7
119.08567	13.9
121.06502	6.9
121.10129	5.8
123.08066	14.6
129.06973	11.5
131.08568	17.2
133.06496	11.7
133.10153	10.4
135.08052	34.6
136.22859	3.5
137.09622	36.8
141.07002	4.4
143.08554	8.9
145.06523	6.0
145.10120	12.8
147.08022	21.0
147.11693	12.8
149.09618	12.4
151.11160	5.2
155.10727	3.7
157.10162	8.0
159.08055	5.2
159.11705	6.2
161.09624	13.2
161.13397	3.3
163.07367	3.1
169.10159	9.2
171.08067	9.9
171.11687	10.1
173.09641	4.8
175.11102	16.3
181.10205	3.7
183.11700	3.4
185.09605	4.6
185.13348	5.4
187.11177	74.6
188.11630	3.2
189.12729	25.9
195.11658	5.9
197.09537	5.6
197.13042	3.7
199.11224	4.9
205.12196	4.4
207.11913	3.2
207.13805	8.3
211.11244	4.1
211.20471	4.4
221.13176	3.9
223.11143	5.8
225.12764	3.9
225.22122	5.8
227.14301	5.0
239.14323	4.1
241.15881	11.6
253.15935	3.2
259.16943	10.1
261.22113	8.3
263.23630	7.4
293.18936	6.8
311.20053	4.6
315.26953	17.0
329.21051	5.2
333.27759	9.2
333.72250	3.4
367.30017	5.7
385.30972	6.7
419.32761	4.2
437.33862	5.3
473.37787	10.6
491.38843	33.9
492.39227	6.5
509.39923	100.0
510.40414	6.7
527.40967	89.2
528.41119	9.9
545.41846	6.5
580.40515	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	581.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53636	1.2
53.03940	2.0
55.01868	11.8
65.03938	21.7
67.05505	6.0
68.99796	1.6
69.41317	3.4
69.41715	7.8
72.08150	1.6
72.11952	1.3
79.05486	4.3
81.03461	1.7
81.07027	2.2
82.04204	5.2
85.02917	3.6
91.05466	5.7
93.03388	9.9
95.01337	3.3
95.04968	4.9
100.11216	1.8
105.07031	3.8
107.04946	7.6
108.02110	3.0
110.03651	20.9
111.04441	24.7
115.05441	2.6
117.06992	2.0
119.05009	1.7
121.02863	19.5
121.06506	3.5
123.04420	3.5
125.05987	22.1
131.04924	3.7
133.02852	1.7
135.04434	4.2
137.05963	9.8
145.06471	4.1
147.04449	3.2
147.08035	1.6
149.05978	3.5
150.06764	1.9
151.03900	54.9
151.05019	7.0
152.04326	1.5
153.05458	95.2
154.05856	2.2
161.05991	5.3
163.03906	2.6
165.05534	2.5
165.06970	3.4
166.07741	1.6
167.07045	15.2
167.08347	2.5
173.05980	3.4
174.06731	1.8
177.05496	3.3
177.06938	1.6
178.06255	3.9
178.07828	5.9
179.07031	2.4
179.08586	4.1
181.04965	9.8
181.06482	4.8
187.07497	1.6
189.06949	2.0
191.06979	1.8
191.08539	2.8
193.08514	2.6
194.07315	3.1
195.06496	2.8
195.08122	3.5
195.10117	2.1
196.07281	2.3
196.08948	1.8
198.06850	1.5
201.05527	1.8
202.06262	2.2
203.07002	4.1
205.04926	4.5
205.06564	3.8
205.08493	1.9
206.07298	6.4
207.08055	7.7
208.08682	1.9
209.05994	2.4
210.06920	1.9
211.07539	1.8
215.06935	3.4
218.07205	2.3
219.08003	2.5
221.05960	3.8
221.09599	3.2
222.06718	2.7
223.07542	3.8
224.08347	6.1
225.09076	2.9
234.06738	5.8
235.07518	8.5
236.08383	2.7
237.09059	4.5
238.06343	1.4
239.07037	2.6
239.10648	2.1
241.08627	1.7
245.08057	13.9
247.07579	2.7
248.04681	1.6
248.08167	2.2
249.05409	3.1
249.09145	7.2
250.06093	1.7
251.07098	4.7
252.07788	22.8
253.08684	5.2
262.06296	2.3
263.07031	4.7
264.07782	5.3
265.08643	6.3
266.09348	3.8
267.10141	13.4
269.08154	1.8
277.08572	5.1
279.06519	4.4
280.07343	7.5
281.08041	7.9
291.06586	1.6
292.07312	3.5
293.08008	4.2
295.09583	19.0
295.63553	1.4
296.10327	4.6
297.07629	2.5
297.11118	1.4
305.08023	2.2
307.09622	3.4
308.06851	1.8
309.07532	2.6
310.08246	1.6
312.10114	2.5
322.08426	1.9
323.09100	86.0
324.09589	8.6
325.10815	3.7
327.12271	4.6
335.09122	4.1
337.10809	3.4
339.12375	3.6
349.10526	1.6
351.12167	2.4
353.10150	4.8
355.11716	100.0
356.12033	8.4
367.11716	11.3
368.12579	1.5
371.15018	2.0
385.12650	3.4
498.47812	1.4
581.18884	6.6
581.35822	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	581.2353
Annotation	His Phe Tyr Asp
Peak:m/z	Relative Intensity
69.15908	2.4
79.05488	0.3
92.85143	0.4
95.08659	0.3
105.07040	0.3
107.04987	0.4
107.51271	0.3
111.04195	1.6
137.05965	0.8
137.63179	0.2
139.03889	0.9
151.04016	0.4
159.04167	15.5
160.04520	0.7
167.07002	1.4
175.03741	0.3
231.10181	0.5
259.06226	0.3
369.13214	1.1
384.15326	1.4
385.16422	0.6
581.23535	100.0
582.23871	10.4
582.33252	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
68.54954	0.3
69.36900	1.1
69.37303	0.7
79.86275	0.3
82.34899	0.3
85.02927	0.4
98.23291	0.4
100.11300	0.3
101.80273	0.3
102.12768	0.3
104.05660	0.3
105.07056	0.4
111.04458	0.4
137.06001	0.8
146.03661	0.3
151.03949	0.8
153.01759	0.4
159.04173	5.5
161.05998	1.0
167.07022	0.4
175.03709	0.5
179.07098	0.4
202.05858	0.3
203.06776	2.3
204.07585	1.1
210.14960	0.4
217.08339	3.0
219.10213	0.5
285.07822	0.4
339.12149	0.4
369.13266	1.8
383.14615	5.6
384.15427	0.9
385.16391	0.4
581.23535	100.0
582.23828	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	581.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23461	0.4
63.72900	0.4
67.32412	0.4
69.77213	0.8
69.77605	1.0
73.68644	0.4
111.04221	1.6
137.05925	0.4
145.04932	0.5
151.03827	0.4
159.04172	12.7
167.07094	0.9
192.03957	0.5
297.43570	0.3
311.48166	0.4
350.04303	0.4
369.13159	0.5
384.15494	1.4
385.12183	0.5
408.52670	0.4
581.23517	100.0
582.23798	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	581.274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.4
53.03952	1.8
53.28327	0.3
55.01868	0.9
57.20112	0.3
63.65273	0.3
65.03937	0.7
67.05498	0.4
68.54636	0.3
70.60703	0.7
77.03923	0.7
77.85218	0.4
78.04710	1.0
79.05488	7.3
80.05831	0.3
81.03407	0.4
81.07047	0.6
91.05476	6.7
92.06266	0.4
93.03394	0.6
93.07034	3.0
94.04196	0.3
95.04962	3.3
103.05458	7.9
104.90498	0.3
105.03407	0.4
105.04521	0.6
105.07030	8.6
106.04150	0.9
106.07396	0.3
107.04948	58.2
107.08566	0.9
108.05244	1.5
109.06521	0.6
110.03640	0.6
115.05450	4.5
116.06213	0.4
117.07039	2.4
119.04952	1.1
120.05726	2.3
121.06499	4.0
121.10091	0.3
122.03660	0.3
123.04414	1.9
124.05225	1.8
125.05970	1.2
128.06194	0.6
129.06964	0.6
130.07813	1.4
131.04901	0.6
133.02791	0.4
133.06474	0.6
135.08047	15.8
136.08368	0.7
137.05971	1.2
138.06750	0.5
139.03864	0.9
143.08566	2.9
145.06538	0.5
145.07588	1.2
145.10124	6.9
146.10397	0.3
147.03439	0.3
147.04373	1.5
148.05164	1.0
149.06003	1.6
151.03894	1.3
152.04660	1.1
154.06248	4.6
155.08504	1.8
156.95908	0.3
158.07259	7.9
161.05887	0.3
163.07533	23.5
164.07921	1.1
165.05472	1.1
166.06238	2.2
167.07031	44.3
168.07358	1.2
171.07950	0.5
173.09604	12.9
174.09924	0.6
180.07800	5.2
181.08583	25.7
182.08891	0.8
183.09134	0.8
186.06691	1.2
189.09122	0.5
195.10153	100.0
196.10504	3.8
201.09094	18.1
202.09474	0.6
218.09361	0.8
233.11710	15.1
234.12033	0.7
270.08557	0.3
300.89169	0.3
311.12802	0.3
329.09949	0.3
371.14883	0.4
387.17972	16.6
388.18185	1.2
427.21060	0.5
581.35565	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.4
55.01861	1.6
55.05499	2.6
57.48611	0.6
65.03934	1.0
67.05507	3.4
69.07056	2.3
71.54108	0.5
78.04703	1.0
79.05487	8.4
81.07060	4.5
83.04977	0.9
83.08594	0.8
86.72424	0.6
91.05473	7.9
93.07033	5.1
95.04949	3.3
95.08037	0.8
95.08569	4.0
97.06524	1.0
97.10164	0.7
101.05983	1.2
103.05453	6.9
105.04485	1.1
105.07018	8.5
107.04949	54.1
107.08567	2.7
108.05268	1.2
109.10146	1.3
111.04439	2.6
111.08056	0.7
115.04748	0.6
115.05438	4.3
117.06995	3.6
119.04900	1.2
119.08562	1.7
120.05730	1.0
121.06490	4.9
121.10122	2.6
123.04402	1.4
123.08048	0.7
124.05168	1.4
125.05989	1.2
129.05470	0.8
129.07008	0.8
130.07748	2.3
131.04933	1.0
131.08559	1.1
133.10086	1.5
135.08049	13.7
135.11661	1.6
137.05951	1.4
139.03897	0.6
139.11214	0.8
143.08539	2.3
145.06531	1.2
145.07602	0.9
145.10109	7.3
147.04393	1.9
147.11719	0.9
148.05130	1.0
149.05968	1.3
151.03883	1.0
152.04625	1.0
153.06964	0.9
154.06259	4.5
155.08574	1.8
157.10071	0.8
158.07277	6.7
159.11687	1.0
163.07539	19.6
164.07820	0.6
166.06253	1.9
167.07024	42.6
168.07346	0.7
173.09625	12.0
173.13170	0.8
174.09862	0.6
180.07809	4.1
181.08580	25.3
182.08875	0.9
183.09122	1.1
183.11665	0.6
186.06770	1.4
189.05450	0.6
193.04973	0.7
193.08594	0.8
195.10152	100.0
196.10449	2.9
201.09096	18.9
202.09465	0.8
218.09346	0.6
221.11581	0.7
233.11716	16.8
239.64192	0.6
279.23196	1.7
335.60559	0.6
342.12808	0.7
371.14847	0.8
385.07809	0.7
387.18005	20.9
388.18329	1.2
389.26801	1.1
407.27554	0.6
427.21378	0.7
467.31454	1.2
477.32797	1.0
485.47476	0.6
527.37463	0.8
545.38159	1.0
581.36743	14.9
582.36804	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77167	0.2
55.01883	0.3
55.13707	0.2
65.03931	0.3
66.26408	0.2
67.05501	0.4
68.24890	0.2
69.03429	0.4
69.54987	0.5
69.55406	0.8
71.05002	0.3
79.05497	0.7
81.03424	0.4
81.07040	1.0
85.02906	0.7
86.03274	0.2
91.05480	0.7
93.07049	0.8
95.04933	0.2
95.08613	0.5
98.23368	0.2
102.44675	0.2
105.07032	0.6
107.04983	0.2
107.08614	1.1
109.10149	0.4
119.08589	0.6
121.02866	0.3
121.10126	0.5
123.04444	0.2
127.03963	0.2
127.11172	0.3
133.10126	0.3
134.37596	0.2
135.11652	0.5
136.12071	0.2
138.13441	0.2
138.68526	0.2
145.05008	0.3
145.10114	0.2
147.11719	0.3
151.03952	0.3
161.00430	0.2
161.34619	0.3
163.03992	0.2
163.11290	0.2
163.85825	0.2
167.07106	0.3
177.05534	0.2
181.04976	0.4
181.08617	0.2
205.12177	0.2
221.19072	0.5
222.19446	0.5
251.07660	0.2
267.11966	0.6
280.95575	0.2
339.14255	0.3
365.15900	0.6
367.13474	0.5
367.17508	0.7
369.15109	1.5
409.14874	0.5
411.16266	0.7
427.15720	5.2
428.16418	0.2
429.17398	3.2
430.17404	0.3
472.32486	0.2
501.28558	0.3
519.29144	2.9
521.26965	1.0
563.28101	3.0
581.29315	100.0
582.29694	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	581.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62583	0.4
55.01871	0.6
55.05509	1.6
57.07059	0.4
62.17213	0.4
65.03936	0.5
67.05505	2.7
69.03462	0.5
69.07070	1.6
69.85434	0.4
71.32800	0.7
74.65767	0.4
75.96317	0.4
79.05511	2.5
81.07046	4.2
83.08627	1.1
85.06525	0.5
91.05480	2.2
93.07043	3.0
93.30171	0.5
95.08600	3.2
97.06561	0.8
97.10171	0.6
105.07024	2.4
107.08616	2.6
109.10166	1.4
111.08093	0.7
119.08590	2.4
121.06496	0.7
121.10133	2.1
123.11707	0.8
125.09665	0.7
127.00035	34.6
131.08572	1.2
133.10152	1.9
135.11732	1.7
137.09637	0.6
143.08574	1.0
145.10136	1.2
147.11678	0.9
149.09633	0.7
149.13348	0.6
154.16676	0.5
159.08029	0.6
159.11702	1.0
167.14310	0.5
169.10165	0.5
171.11615	0.4
175.14926	0.5
185.13263	0.5
187.07349	0.5
187.14890	0.5
191.14200	0.6
193.08623	1.6
215.17973	1.3
229.15732	1.2
267.09537	0.5
283.13187	1.2
301.10599	1.0
301.14078	22.0
302.14532	1.4
311.21893	0.8
345.13092	15.6
345.17325	0.8
346.13522	0.7
381.75418	0.4
465.29706	8.3
466.30020	0.7
477.33408	18.5
478.33844	1.6
509.28583	0.9
518.36066	0.9
519.27179	1.4
519.34430	0.5
537.28326	1.7
537.36328	0.7
552.45111	0.4
563.26556	0.5
571.43787	0.5
581.27661	5.3
581.34540	100.0
581.42456	4.2
582.27386	0.8
582.34979	10.1
582.44080	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01578	0.9
50.64789	0.5
51.02374	0.7
53.03954	3.2
55.05481	1.6
56.55194	0.6
57.07054	1.3
59.05680	0.6
60.96091	0.5
65.03909	0.8
67.05472	1.9
69.03396	0.6
69.07042	1.7
71.04971	2.2
77.03899	1.1
79.05492	19.3
81.07037	1.4
83.01353	2.7
85.06509	1.6
89.27224	0.5
91.04958	1.0
91.05482	14.7
93.07045	44.9
94.44974	0.7
95.04972	6.6
95.08642	0.9
97.06528	1.1
103.55610	0.5
105.04501	1.7
105.07049	4.1
107.04932	1.0
107.08595	30.1
109.06519	3.2
109.10139	1.1
113.06006	10.4
114.06229	0.6
117.61547	0.6
119.08601	1.4
121.06470	1.1
121.10125	2.1
123.04378	1.0
123.08034	2.7
123.11665	0.9
125.05942	0.7
125.09597	1.9
133.10120	1.6
135.04356	0.8
135.08015	1.2
135.11696	26.4
136.12044	0.8
137.05981	8.6
137.09589	1.3
139.11176	3.0
141.05464	6.3
147.08029	1.7
149.05939	0.7
149.09592	1.9
150.06769	0.9
150.10391	1.1
151.07515	2.3
151.11182	0.8
151.66724	0.5
153.05469	31.0
154.05812	1.2
155.07018	0.9
160.05119	0.7
163.07530	1.6
165.09117	16.9
167.10658	1.5
169.08638	0.8
173.13109	0.7
175.07527	9.0
177.09073	1.2
178.06261	3.2
181.67584	0.6
191.07034	4.5
192.07829	2.0
193.08601	43.9
194.08989	2.0
195.10136	1.2
205.08589	4.8
207.10135	3.0
209.08099	4.0
209.15387	1.2
211.09651	100.0
212.10025	3.4
219.10274	1.3
219.13855	1.1
223.09669	13.3
226.60632	0.6
237.14839	11.1
243.10342	0.7
247.13266	2.3
259.13306	0.8
265.14401	5.9
266.14648	0.7
273.15134	0.8
275.16406	19.9
276.16577	0.9
277.14459	1.0
289.14337	0.9
315.12115	0.8
322.65155	0.7
327.16077	0.7
327.19659	1.8
343.19046	0.7
345.20593	18.8
346.20877	1.3
389.19440	0.7
399.25293	1.5
401.23206	1.2
402.47519	0.6
429.22733	24.2
430.23129	1.6
445.22382	2.2
447.23734	3.9
448.23450	0.6
489.86331	0.6
511.30090	0.7
563.33893	1.7
581.34753	28.0
582.34961	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	581.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01603	0.7
51.02376	1.9
53.03947	5.6
55.01862	0.8
55.05499	2.7
55.90997	0.6
57.07057	1.9
58.17092	0.6
58.82674	0.5
59.04992	0.6
59.17583	0.6
61.44258	0.6
65.03925	1.8
67.05511	3.6
69.07072	3.3
71.04991	3.1
77.03934	2.0
78.21642	0.6
78.69946	0.7
79.05494	38.3
80.05802	0.7
81.07056	3.9
83.01334	4.0
83.04980	1.3
85.06509	1.2
91.05477	27.4
93.07045	71.2
94.07358	1.1
95.04961	10.4
95.08606	1.9
97.06515	1.9
105.04520	4.2
105.07029	7.2
107.04951	1.2
107.08592	49.0
108.08920	1.0
109.06500	4.1
109.10141	1.6
111.08047	0.9
113.06004	15.2
119.06087	1.1
119.08578	3.0
121.06490	1.7
121.10130	3.5
123.04450	1.3
123.08062	3.1
125.06030	1.6
125.09595	1.3
129.07021	0.6
131.08615	0.7
133.10136	2.3
135.04408	1.0
135.08154	1.2
135.11693	43.5
136.12057	2.1
137.05984	8.0
137.09633	1.9
139.11172	3.9
141.05470	7.7
141.06511	0.9
145.06454	0.6
145.10100	0.9
147.08041	2.4
149.09547	1.8
149.13284	0.7
150.10445	0.8
151.07538	2.1
153.05467	37.8
155.07022	2.9
163.07550	2.5
165.09120	18.8
167.07045	0.7
167.10663	2.5
169.08633	1.0
173.13234	0.9
175.07542	9.9
177.05431	0.7
177.09189	1.3
178.06194	2.9
182.05310	0.6
191.07059	4.4
191.14294	1.1
192.07831	2.4
193.08597	51.5
194.08968	1.4
195.10152	1.2
199.41557	0.6
205.08600	4.5
207.10156	4.1
209.08125	5.3
209.15337	1.3
211.09653	100.0
212.09970	4.0
215.14304	0.9
219.10188	1.4
219.13818	1.5
223.09642	12.8
229.38409	0.7
237.14819	13.7
247.13342	1.8
257.15338	0.9
263.12851	0.9
265.14362	5.5
275.16415	23.6
276.16824	1.2
277.14401	1.2
285.18668	0.8
315.12146	0.8
327.19495	1.7
345.20554	11.7
346.21182	1.1
389.19366	1.1
399.25543	1.1
401.22989	0.9
429.22760	21.3
430.23001	1.8
445.22049	2.3
447.23593	2.3
581.26227	1.0
581.34680	11.7
582.34497	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01586	0.4
51.02374	1.1
51.87797	0.5
53.03943	6.0
55.01869	0.9
55.05510	3.2
57.03439	0.7
57.07082	1.4
59.05004	0.8
65.03936	2.4
67.05505	4.5
69.03439	1.1
69.07072	5.3
71.04989	3.0
77.03934	1.8
79.05491	36.2
80.05828	0.8
81.03410	0.7
81.07044	5.3
83.01345	3.5
83.04974	0.8
85.06530	1.1
88.49432	0.4
91.04872	0.6
91.05479	28.7
93.07043	70.6
94.07366	1.3
95.04411	0.8
95.04970	9.9
95.05532	0.8
95.08600	1.7
97.06544	1.8
97.10125	0.4
98.22535	1.1
99.04456	0.4
103.05499	0.5
105.04518	3.5
105.07023	8.8
106.07367	0.7
107.04948	0.5
107.08591	52.1
108.08937	1.3
109.06531	4.1
109.10169	1.5
111.08113	0.9
113.06001	10.6
117.07013	0.9
119.06076	1.4
119.08583	3.2
121.06511	1.5
121.10133	4.4
123.04417	1.1
123.08051	2.5
123.11723	1.3
125.05975	0.9
125.09672	2.1
129.07088	0.5
131.08563	0.8
133.10126	2.6
135.08104	2.1
135.11690	40.2
136.12010	1.7
137.05969	8.1
137.09604	2.1
139.11186	5.1
141.05469	6.8
145.10144	0.9
147.08049	1.8
147.11766	0.5
149.06009	0.6
149.09616	2.3
149.13246	1.1
150.06778	0.6
150.10367	1.4
151.07573	2.5
151.11137	0.6
153.05463	30.6
154.05791	0.9
155.07014	1.7
157.06454	0.6
159.08061	0.6
160.05185	0.7
161.09612	0.6
162.06769	0.7
163.07536	2.3
165.05449	0.7
165.07697	0.9
165.09114	17.9
166.09457	1.0
167.03276	0.5
167.06964	0.6
167.10695	2.4
169.08560	1.2
173.13286	1.0
175.06148	0.6
175.07564	8.4
177.05469	0.9
177.09143	1.6
178.06239	2.2
183.10194	0.8
187.07576	0.9
191.07054	4.4
191.14296	1.5
192.07736	2.3
193.08600	50.4
194.08961	1.1
195.10168	1.2
205.08582	4.8
205.15910	0.9
207.10144	3.7
209.08084	5.8
209.15355	2.0
211.09647	100.0
212.10031	3.7
217.12071	0.4
219.10167	0.7
219.13811	2.0
220.13937	0.5
223.07491	0.8
223.09654	12.4
229.12076	0.7
231.10162	0.5
237.14859	13.2
238.15181	0.7
245.11642	1.0
247.13338	2.6
251.85161	0.5
257.15427	0.5
259.13373	0.9
261.11206	0.7
263.12784	1.2
265.14340	6.7
273.14758	0.9
275.16403	21.8
276.16653	1.2
277.14291	1.0
289.14142	1.0
315.12271	0.7
327.15933	0.8
327.19513	1.7
345.20596	9.9
389.19421	1.0
399.01108	0.4
399.25113	1.2
401.22977	1.1
429.22726	18.7
430.22961	1.4
445.22479	1.0
447.23715	1.3
471.64743	0.4
511.30743	0.9
563.32672	0.6
580.31573	0.4
581.34631	10.3
582.34760	1.4
601.38196	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.0
55.05502	4.9
57.07067	2.7
60.71986	2.4
67.05498	6.9
69.07074	4.0
71.04987	3.6
79.05486	34.1
81.07044	6.5
91.05461	24.3
93.07043	61.3
94.07372	2.7
95.04975	10.0
95.08614	5.1
98.23398	4.5
105.04583	2.8
105.07022	5.9
107.08576	37.8
109.06546	5.1
113.06006	12.7
119.08603	5.4
121.10132	5.1
123.08073	4.2
125.05917	2.9
135.11691	39.3
135.12617	3.6
137.05983	7.1
141.05467	5.3
147.08008	2.2
153.05452	28.8
165.09100	16.8
167.10526	3.1
169.08572	3.0
175.07550	9.7
178.06256	4.9
191.07054	5.3
193.08575	52.3
195.10109	2.7
205.08675	3.9
207.10181	2.9
211.09648	100.0
212.09955	4.7
223.09674	12.8
237.14867	12.4
265.14270	5.2
275.16428	17.9
304.64328	2.4
345.20813	12.0
384.45197	2.9
429.22742	21.1
445.22272	3.8
447.23419	5.2
563.33337	2.7
581.34509	23.7
582.34668	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	581.3655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.8
57.07066	0.9
67.05495	3.5
69.07068	3.2
69.27786	4.6
69.28195	1.6
79.05498	2.8
81.07051	4.0
83.08621	1.4
85.06557	1.0
91.05476	1.3
93.07027	1.7
95.04985	0.9
95.08604	3.7
97.10138	1.1
98.22495	1.3
98.98481	1.6
104.57195	0.7
105.07050	1.0
105.34041	0.7
107.08607	2.1
109.10166	1.5
119.08583	2.2
121.10145	2.3
125.09645	0.9
127.83241	0.8
135.11745	0.9
143.30330	0.8
145.10147	1.3
147.11700	0.9
155.01056	1.7
161.13290	0.8
167.07039	0.9
271.20734	0.9
293.21246	0.8
331.13278	0.8
365.06696	0.9
536.01123	0.9
581.36566	100.0
582.36731	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	582.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.1
55.05503	12.7
57.03425	5.6
57.07069	7.1
59.13556	1.3
61.02922	4.0
67.05501	15.3
68.05811	1.4
69.03429	11.7
69.06702	2.3
69.07063	29.4
69.57551	3.2
69.57971	6.0
71.04976	11.1
79.05482	8.1
81.03413	5.3
81.07059	27.6
83.04957	1.4
83.08606	16.0
85.02902	36.5
85.06539	40.2
86.03242	1.6
86.09702	3.6
88.49837	1.4
91.03941	2.0
91.05484	6.9
93.07044	21.1
94.51453	1.3
95.04977	2.9
95.08013	2.8
95.08600	39.5
97.02910	9.8
97.06528	3.4
97.10158	10.8
98.22639	1.9
99.04427	2.9
99.08088	10.1
100.50256	1.3
105.07010	6.4
107.04895	1.7
107.08585	33.9
109.02164	1.4
109.02879	5.4
109.06537	2.7
109.10152	35.5
111.04424	3.0
111.08057	5.5
111.11694	3.0
113.09625	6.8
119.08546	3.9
121.02869	4.5
121.06498	1.5
121.10134	37.7
123.04401	1.9
123.08101	2.3
123.10874	2.6
123.11703	30.2
124.99986	2.4
125.09552	3.0
126.94604	1.5
127.03927	7.9
131.04932	1.8
131.08556	2.7
133.10147	2.0
135.04346	1.7
135.11670	18.5
137.05968	26.1
137.13219	8.9
138.06374	2.6
139.11163	2.2
139.14796	2.3
145.04979	7.9
145.10075	1.9
147.08005	1.7
149.05956	1.9
149.13246	29.8
151.03864	4.4
151.07516	4.2
151.14691	2.1
153.12720	2.8
159.08073	2.0
161.05995	8.6
163.06105	3.1
163.07439	1.7
163.14795	8.1
164.08298	2.1
165.09100	2.2
165.16383	3.4
167.07047	3.2
167.10728	1.8
167.14328	15.3
175.07460	2.8
177.05441	3.3
177.16350	5.4
179.17935	4.6
181.15884	3.7
184.07320	11.1
185.15408	1.9
189.09108	3.7
193.08606	2.3
195.06525	1.7
201.09094	12.0
203.07036	5.2
205.19518	44.6
213.95490	1.5
223.20558	60.5
235.05814	2.2
235.09573	3.6
236.06288	2.2
241.21611	100.0
242.22009	4.2
285.11240	5.3
299.09082	3.1
301.06973	4.3
325.10861	2.0
325.14304	6.2
327.12244	6.8
337.74420	1.6
380.26230	1.5
408.87823	1.6
554.56354	1.6
582.25629	2.1
583.18256	1.9
583.30212	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.3
55.01877	1.6
55.05511	15.9
57.03431	4.4
57.07072	4.8
59.04981	2.2
60.56195	1.4
61.02916	1.8
62.33235	1.4
64.30741	1.3
67.05499	22.0
67.64012	1.2
68.71460	1.2
69.03421	5.9
69.07063	22.4
70.47040	4.3
71.04990	8.7
71.08642	1.9
79.05477	8.3
81.03423	1.7
81.07058	38.3
83.04968	1.8
83.08611	15.6
85.02905	30.3
85.06544	67.9
85.07062	3.2
85.10126	1.3
91.03921	1.4
91.05474	6.2
93.07038	19.3
95.04965	1.6
95.08604	53.5
97.02912	8.0
97.06526	3.9
97.10175	15.4
99.04467	2.3
99.08096	23.0
105.07026	4.8
107.08588	20.6
109.02894	4.0
109.06519	2.2
109.10155	54.6
111.08088	2.7
111.11729	3.5
113.09628	4.0
119.08591	2.5
121.02849	3.2
121.10149	21.1
123.11704	42.4
125.00005	2.1
125.05862	1.3
125.09628	2.8
127.03909	5.4
127.11179	4.2
131.04826	1.3
131.08667	1.5
133.10107	2.3
135.11693	20.5
137.05969	15.7
137.13225	9.4
139.03973	1.4
139.11154	2.2
141.12822	2.0
145.04961	8.3
145.10153	2.3
147.11595	1.3
149.13269	18.4
151.03894	3.2
151.07584	6.2
153.01802	3.5
153.12794	2.1
159.11696	1.5
161.05986	6.1
163.06003	2.3
163.07530	1.7
163.14861	8.1
165.16422	9.9
167.07011	2.5
167.14322	4.7
177.05415	2.4
177.16353	1.6
179.17969	5.8
181.15878	7.2
184.07361	9.8
187.11272	1.3
197.18953	2.3
201.09059	4.6
203.07047	3.8
205.19514	30.4
205.21332	2.4
222.70561	1.4
223.17143	1.7
223.20576	43.5
224.20909	2.1
241.21625	100.0
242.21977	4.6
253.08572	1.6
258.05032	1.5
285.11111	3.9
286.04620	3.5
301.07053	12.6
325.14255	4.1
327.12271	4.3
328.11557	1.6
355.19012	2.1
373.19901	3.1
407.40482	1.5
582.23676	2.7
583.26862	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	582.4365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.4
53.30722	3.7
53.73260	3.6
55.01875	5.8
55.05513	27.7
56.05575	4.1
57.03431	12.3
57.07071	13.7
59.04996	5.3
67.05504	73.2
69.03414	5.1
69.07066	36.7
69.11924	33.4
71.04989	8.9
78.94317	4.0
79.05487	61.5
81.03408	36.6
81.07059	71.6
82.07379	6.0
82.33712	4.8
83.04964	18.0
83.08598	24.3
85.02899	17.2
85.06546	5.3
89.18076	4.1
91.05473	52.3
93.07043	63.7
94.07378	9.5
95.04962	18.7
95.08604	58.3
97.06523	14.4
97.10175	11.3
101.85486	3.9
102.15259	3.8
105.07013	35.4
107.04969	7.2
107.08582	46.9
108.08929	6.8
109.06509	7.8
109.10152	30.9
111.08078	9.4
113.05985	13.9
115.04137	3.8
117.06989	6.4
119.08570	33.1
121.10131	27.8
123.08060	14.6
123.11700	16.9
125.09570	5.2
129.06985	9.9
131.08574	12.6
133.10117	26.5
135.08029	6.2
135.11691	33.3
136.12022	9.5
137.05995	6.1
137.09639	13.1
137.13297	5.0
139.11177	8.2
141.05490	5.7
145.10120	13.0
147.11688	16.8
149.09589	10.0
151.07555	3.7
153.05444	12.2
157.10101	9.9
159.11690	5.6
163.07574	6.0
165.09221	5.7
166.09438	6.1
167.07140	4.6
175.07500	4.6
175.11180	11.2
177.12801	4.8
177.97017	4.2
179.06944	4.6
191.07040	21.8
193.08623	15.0
193.12254	34.8
194.08899	6.8
203.07101	4.4
205.08614	9.4
209.08102	13.5
210.08502	4.7
211.09680	41.4
211.13222	48.5
212.10030	17.9
223.09714	6.1
225.16472	4.4
237.14844	10.2
263.12830	6.9
263.23535	5.7
267.16013	11.0
275.16589	5.7
277.14343	5.4
285.16965	35.5
286.17221	5.2
329.17453	26.0
337.27332	100.0
338.27689	9.8
346.17450	6.3
346.21133	6.8
347.18393	15.4
430.23450	8.5
448.24368	4.2
529.39215	8.8
547.30695	11.0
547.39771	66.1
548.40601	5.6
564.33990	12.0
565.31415	18.1
582.31805	8.4
582.34088	6.5
582.40955	38.9
583.32715	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	582.4364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	11.8
55.01872	8.6
55.05508	37.8
55.16618	4.8
57.03437	15.8
57.07072	8.7
65.03930	6.3
67.05508	81.2
69.03426	6.2
69.07071	36.7
70.24634	7.0
70.24988	15.7
71.05007	5.7
79.05501	70.7
81.03423	59.5
81.07059	100.0
81.07513	8.4
83.04999	12.4
83.08619	25.7
85.02922	15.9
85.06578	8.6
88.55625	5.0
91.05475	52.8
93.07051	83.0
93.61098	6.2
94.07384	10.7
95.04960	28.8
95.08619	68.6
97.06541	11.5
97.10186	10.6
103.05486	5.6
103.86987	5.4
105.07049	41.1
107.05009	7.6
107.08595	49.4
108.08950	14.7
109.06525	20.3
109.10146	29.6
111.08112	13.9
113.06017	14.0
117.07025	7.0
119.08582	33.7
121.06511	10.8
121.10150	31.1
123.08055	16.4
123.11731	13.8
125.09637	6.9
129.07036	15.5
131.08583	16.4
133.10153	42.9
135.11700	44.1
136.12091	13.8
137.05928	6.4
137.09679	12.7
139.04024	5.0
139.11243	10.2
139.32901	5.7
141.05460	6.3
143.08479	5.5
145.10117	13.7
146.38777	4.8
147.11714	19.1
149.09639	10.6
149.13239	6.3
153.05453	12.5
154.62868	5.4
157.10156	11.9
159.11725	5.7
163.07559	6.3
165.09126	8.9
171.11647	6.0
175.11234	15.2
177.05434	6.1
179.07016	6.1
191.07054	18.2
192.63802	4.7
193.08647	22.2
193.12238	46.7
194.09019	8.2
205.08594	8.5
205.15961	6.0
209.08131	17.1
209.15367	6.0
211.09694	37.9
211.13284	62.3
212.10091	18.8
223.09581	9.4
237.14857	9.1
263.12830	10.1
267.16040	13.9
269.11639	7.4
285.16913	68.3
296.10342	6.2
311.16467	7.6
329.17422	38.9
337.27353	83.0
338.27927	8.8
345.16769	7.3
345.20508	6.0
346.17337	11.5
347.18503	25.3
401.22906	5.4
426.19678	6.1
430.22943	9.1
481.25479	6.0
482.26053	11.3
492.57758	5.5
529.38831	11.4
547.31403	11.0
547.39850	51.1
561.26276	5.9
564.33746	30.7
565.31494	19.8
582.41492	25.0
583.32355	16.5
583.41290	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	583.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.4
54.37909	0.3
55.01856	0.6
55.05509	0.5
57.03428	0.3
57.07077	0.3
65.03939	3.5
67.05490	0.6
69.03410	1.5
69.07059	0.4
69.65209	1.1
71.01363	0.4
73.02905	0.5
79.05481	0.7
81.03403	0.8
81.07052	1.3
83.04961	0.3
83.08628	0.4
85.02911	3.0
91.05475	0.5
93.03377	0.6
93.07043	1.0
94.04180	0.5
95.04973	1.8
95.08606	1.6
97.02888	1.2
97.10093	0.3
99.04449	0.4
99.08087	0.3
100.75368	0.3
103.05515	0.3
105.07026	0.6
107.04941	0.4
107.08617	1.1
109.02907	0.9
109.06520	0.4
109.10155	1.3
111.04439	2.2
113.09631	0.8
119.08569	0.5
121.02863	100.0
121.10162	0.6
122.03123	2.2
123.04443	0.4
123.11712	0.7
127.03918	0.6
131.08514	0.4
133.02869	0.6
133.06543	0.3
133.10048	0.3
135.11722	0.3
137.05978	3.6
138.06352	0.3
139.03882	1.9
145.04990	0.8
147.04391	1.0
149.13242	0.5
151.03923	1.1
153.05482	0.6
159.08125	0.3
161.05959	1.3
162.06285	0.6
163.07489	0.7
167.03404	3.9
167.07054	1.3
175.07559	0.5
177.05426	0.5
179.03447	2.1
179.06941	0.3
181.05052	0.5
185.04259	0.3
199.07643	0.4
201.09135	0.8
202.09392	0.4
205.19589	1.0
223.20670	0.3
227.07014	1.1
245.08136	1.0
255.06494	0.6
265.07077	0.5
267.10266	0.4
272.06787	1.0
283.08090	4.7
286.11456	0.5
297.07581	0.5
299.05536	0.5
299.08633	0.3
301.07050	76.0
302.07401	4.7
311.12738	0.9
312.13147	0.7
325.10760	0.3
325.14401	0.4
326.14819	0.5
331.39069	0.4
343.08066	0.5
343.15378	0.8
344.15744	1.1
415.65298	0.3
428.69724	0.4
445.11926	0.3
504.67813	0.3
583.28650	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88629	1.2
53.03954	2.5
54.81812	1.3
57.86615	1.3
62.96782	1.3
63.62336	1.4
65.03912	2.5
67.05499	2.8
71.32679	2.1
78.04713	3.3
79.05488	8.8
81.03394	7.4
81.07072	3.1
85.02816	1.4
91.05481	8.0
93.03446	1.6
94.04185	5.4
95.04977	3.2
103.05466	4.9
104.63621	1.7
105.03388	1.6
105.07045	8.9
106.04198	1.6
107.04952	14.2
107.08601	1.6
108.42805	1.6
115.05470	13.1
117.07017	11.0
118.86069	1.4
121.06523	3.4
122.03648	12.0
123.04385	7.3
124.05205	3.1
125.05992	3.1
127.03892	2.0
129.07057	1.6
131.04930	3.8
131.08588	1.9
132.05693	3.1
133.06451	8.1
135.04384	2.9
137.02420	2.1
137.05972	100.0
138.06268	2.2
141.06964	1.7
144.05679	2.5
145.06464	18.0
146.03810	1.6
147.04381	2.9
147.08116	2.8
149.06015	3.8
151.03905	18.3
151.04999	2.4
151.07558	3.0
152.04659	2.3
153.05457	7.4
155.06001	3.4
155.07112	1.7
156.05717	2.6
157.06528	1.6
159.04430	1.7
159.08066	2.9
160.05243	2.8
161.05975	13.3
162.96500	1.4
163.07555	3.6
165.05537	3.2
167.07034	87.3
168.07372	2.0
169.06522	2.2
171.08151	1.7
172.05180	1.9
173.05980	13.9
175.07561	5.3
176.04697	1.9
177.05457	3.7
179.07048	5.9
181.04976	16.3
181.06435	2.5
181.08646	3.5
182.05481	1.6
185.05971	2.5
187.07520	3.5
190.06252	4.1
191.07037	7.3
193.08620	8.4
195.06532	3.9
197.05952	2.2
203.07008	3.7
205.04926	1.6
205.08641	14.4
207.06465	9.9
207.08194	1.5
207.10210	5.0
209.06050	2.4
211.07594	4.4
217.08604	9.8
219.10049	3.0
221.08096	4.4
226.06189	5.0
227.06999	2.4
231.08160	2.0
233.08133	6.3
235.07507	1.8
235.09647	16.1
237.09143	1.6
237.11305	1.7
241.08614	4.9
247.07399	2.1
248.08315	3.2
251.07094	2.6
252.07944	2.3
253.05086	2.0
253.08662	1.9
254.05759	1.7
255.06622	1.9
257.08112	2.4
261.08966	1.7
262.06174	1.5
264.07764	1.9
268.07349	2.9
269.08026	7.1
271.06158	4.1
272.08276	1.5
277.08578	2.3
279.06494	1.8
283.05945	1.7
283.09671	3.1
284.06598	2.0
289.10834	1.7
293.08023	2.2
295.09583	2.8
297.07526	2.4
301.10727	5.8
307.09695	4.3
314.07907	4.0
319.09723	3.5
321.07797	2.0
321.11340	2.2
323.08890	1.8
327.12350	2.2
329.10211	16.0
331.11725	4.2
337.10791	3.3
339.12338	2.4
343.11664	2.9
349.10480	2.1
351.12329	3.4
355.11783	3.1
357.13208	3.2
363.12317	3.1
367.11618	3.0
369.13333	3.6
370.14319	1.8
373.12872	2.5
381.13412	6.6
383.14914	4.1
385.12796	4.0
387.14755	2.0
397.13217	1.9
399.14340	4.7
411.14368	7.1
429.15289	3.8
441.15353	4.2
459.16476	25.3
460.17145	2.5
517.18756	2.6
535.19434	3.1
546.20844	1.8
547.19733	7.4
553.20532	8.2
565.20605	18.2
566.18683	1.7
583.20331	13.3
583.27106	31.7
584.27850	2.3
592.89972	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.5
63.54835	0.8
65.03932	2.5
67.05492	2.9
69.03433	1.0
69.78943	1.0
71.01357	1.1
79.05480	3.7
81.03412	3.2
81.07053	1.6
85.02894	2.2
91.05477	4.5
94.04215	1.6
95.04961	3.5
98.22588	2.4
103.05470	20.0
104.94188	1.0
105.07042	5.0
106.04166	1.3
107.04944	5.8
108.02078	1.4
109.06488	1.2
111.04436	2.4
115.05432	3.7
117.07019	3.5
118.04146	2.7
119.04934	2.4
121.06510	3.0
122.03623	3.6
123.04437	5.3
125.06016	3.1
129.06982	1.7
131.04926	25.7
133.02846	2.9
133.06514	5.0
135.04391	2.9
135.08063	1.7
137.05975	51.9
143.04945	1.1
145.06470	4.2
146.03651	1.0
147.04396	2.9
148.05193	8.0
149.05977	4.2
151.03902	100.0
151.04965	5.8
152.04294	2.3
153.05455	4.5
157.06429	1.8
159.04462	1.3
160.05220	1.3
161.05962	4.4
163.07529	20.0
165.05450	1.9
167.07037	67.7
171.04317	1.4
173.05977	4.2
175.07529	5.6
177.05426	4.2
178.06244	2.4
179.07056	1.2
181.04959	18.5
181.06392	1.1
187.07500	2.1
189.09064	1.2
190.06206	1.6
191.07027	86.1
192.07373	3.8
193.08604	4.1
195.06546	2.5
203.07004	3.7
205.06662	1.4
205.08557	4.0
205.47020	1.2
209.07999	2.0
211.09641	6.7
217.08653	1.8
223.09718	1.3
223.84637	1.0
231.06648	1.6
233.07997	3.1
234.06631	2.0
235.07445	1.3
235.09625	4.1
237.09201	1.9
249.08858	1.7
263.06784	1.2
263.09210	7.3
269.08115	1.2
276.07565	1.0
297.10904	1.3
325.10532	1.5
327.12103	2.2
329.13837	1.9
351.12323	1.2
355.11722	8.2
357.13239	1.6
369.13196	2.5
387.14337	13.0
388.14523	1.5
450.38412	1.1
518.98779	1.3
583.27216	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	583.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.5
63.54835	0.8
65.03932	2.5
67.05492	2.9
69.03433	1.0
69.78943	1.0
71.01357	1.1
79.05480	3.7
81.03412	3.2
81.07053	1.6
85.02894	2.2
91.05477	4.5
94.04215	1.6
95.04961	3.5
98.22588	2.4
103.05470	20.0
104.94188	1.0
105.07042	5.0
106.04166	1.3
107.04944	5.8
108.02078	1.4
109.06488	1.2
111.04436	2.4
115.05432	3.7
117.07019	3.5
118.04146	2.7
119.04934	2.4
121.06510	3.0
122.03623	3.6
123.04437	5.3
125.06016	3.1
129.06982	1.7
131.04926	25.7
133.02846	2.9
133.06514	5.0
135.04391	2.9
135.08063	1.7
137.05975	51.9
143.04945	1.1
145.06470	4.2
146.03651	1.0
147.04396	2.9
148.05193	8.0
149.05977	4.2
151.03902	100.0
151.04965	5.8
152.04294	2.3
153.05455	4.5
157.06429	1.8
159.04462	1.3
160.05220	1.3
161.05962	4.4
163.07529	20.0
165.05450	1.9
167.07037	67.7
171.04317	1.4
173.05977	4.2
175.07529	5.6
177.05426	4.2
178.06244	2.4
179.07056	1.2
181.04959	18.5
181.06392	1.1
187.07500	2.1
189.09064	1.2
190.06206	1.6
191.07027	86.1
192.07373	3.8
193.08604	4.1
195.06546	2.5
203.07004	3.7
205.06662	1.4
205.08557	4.0
205.47020	1.2
209.07999	2.0
211.09641	6.7
217.08653	1.8
223.09718	1.3
223.84637	1.0
231.06648	1.6
233.07997	3.1
234.06631	2.0
235.07445	1.3
235.09625	4.1
237.09201	1.9
249.08858	1.7
263.06784	1.2
263.09210	7.3
269.08115	1.2
276.07565	1.0
297.10904	1.3
325.10532	1.5
327.12103	2.2
329.13837	1.9
351.12323	1.2
355.11722	8.2
357.13239	1.6
369.13196	2.5
387.14337	13.0
388.14523	1.5
450.38412	1.1
518.98779	1.3
583.27216	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	583.3243
Annotation	5-Oxoavermectin ''1a'' aglycone
Peak:m/z	Relative Intensity
53.03925	0.6
55.01859	1.1
55.05510	7.4
57.03410	0.4
57.07050	0.8
65.03943	0.6
67.05504	7.5
69.03419	0.6
69.07066	5.3
71.04992	1.1
79.05479	4.2
81.07057	8.1
83.04963	1.1
83.08615	10.2
85.06543	1.2
91.05490	4.1
93.07047	5.5
95.04963	1.1
95.08604	6.8
97.06532	1.5
97.10184	2.5
99.08074	0.7
105.07036	2.9
107.08586	4.2
109.06508	0.8
109.10162	2.6
111.08064	2.6
117.07023	0.9
119.08583	2.7
121.10142	4.8
123.08070	0.9
123.11703	1.2
125.09619	2.2
129.07008	0.8
131.08563	1.4
133.10132	2.5
135.11711	2.7
137.05981	0.5
137.09578	0.7
137.13281	0.6
139.07549	2.0
139.11180	1.8
143.08565	0.8
145.10127	1.7
147.04401	0.9
147.08022	0.5
147.11642	1.5
149.13298	1.0
151.11208	0.5
153.09070	0.6
155.08548	0.4
157.08620	0.7
157.10234	0.5
157.12216	0.7
159.11690	1.5
161.13283	0.8
167.10609	0.6
169.10156	0.5
171.11674	0.6
173.13263	0.8
175.09669	4.9
175.11118	0.7
175.14864	0.5
179.14449	0.5
183.11856	0.5
187.11121	0.6
189.11304	1.0
217.19568	0.9
227.17996	0.6
235.20654	1.1
249.18578	0.6
253.21738	0.6
257.19046	0.4
279.23135	0.4
316.76535	0.5
355.26337	1.0
359.29312	0.5
365.19022	0.5
373.27222	1.6
373.31244	1.5
391.28302	1.6
391.32590	1.0
405.29901	0.5
409.33594	0.7
415.71039	0.5
491.35516	0.6
529.38818	2.0
547.30975	0.8
547.39862	1.9
551.68896	0.5
565.32257	2.2
565.39642	0.8
583.32324	100.0
584.32605	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	583.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04210	3.3
52.62730	3.2
53.03934	8.8
53.73717	4.0
55.05519	23.6
55.06876	3.0
55.98979	3.6
57.07067	16.5
59.04999	5.2
65.03931	4.1
67.05507	39.5
69.01072	21.5
69.01545	17.5
69.03430	10.2
69.07074	38.2
69.17043	4.0
69.29507	6.6
77.86577	4.3
79.05495	51.5
81.06624	4.9
81.07068	51.3
82.07366	4.3
83.04990	10.9
83.08604	18.2
85.06551	9.2
87.04410	3.7
88.63181	3.6
89.06030	32.2
89.40390	4.1
91.05482	85.3
91.52740	3.5
93.07048	79.0
95.04965	14.7
95.08603	50.2
97.06514	8.4
98.23336	8.8
103.05476	6.8
105.04573	4.5
105.07034	95.3
106.07317	4.1
107.08595	68.6
109.06507	13.3
109.10159	34.2
111.08040	5.1
115.05461	8.6
117.06992	30.9
119.08584	100.0
121.06491	10.3
121.10141	63.1
121.82377	3.3
122.10547	4.3
123.08054	17.4
123.11705	9.8
125.05962	4.8
125.09629	5.3
128.06227	20.3
129.06999	26.0
130.07805	9.1
131.08562	46.5
133.08592	17.4
133.10132	55.1
135.08072	15.8
135.11723	24.9
137.09605	15.5
139.11197	6.0
141.07010	12.6
142.07793	38.3
143.08572	57.6
144.09270	8.0
145.06419	4.3
145.10133	66.3
147.08032	17.4
147.11684	20.7
149.09601	10.8
149.13289	5.3
151.07547	14.8
153.06990	4.8
155.08574	22.9
156.09369	22.8
157.10121	67.4
158.10922	8.5
159.08052	6.1
159.11707	33.3
161.09621	9.0
161.13188	6.7
163.07478	5.4
163.11182	12.6
165.07068	9.7
165.09093	31.3
166.07762	4.8
167.08574	14.1
167.10699	15.7
168.09354	8.6
169.10123	30.8
170.10808	12.3
171.11682	39.7
173.09674	6.6
173.13271	26.7
175.11116	9.2
175.14809	12.4
177.11252	5.3
178.07660	6.8
179.08586	21.3
180.09349	11.7
181.10110	20.8
181.12250	8.8
182.10876	14.2
183.11740	35.6
184.12456	9.4
185.13264	18.9
187.11259	3.7
187.14825	11.6
188.38811	3.9
189.12723	5.7
191.06972	4.7
191.14401	10.5
192.09265	7.6
193.08565	5.1
193.10126	16.6
194.10907	13.7
195.11647	24.7
196.12444	9.5
197.13228	25.3
199.14795	20.4
201.12669	4.6
203.08644	3.6
203.14278	10.9
205.10181	6.4
206.10953	8.1
207.11690	23.3
207.13664	6.9
208.12418	9.2
209.13248	36.2
210.13907	6.9
211.14868	19.2
213.12927	4.3
213.16389	5.5
217.10144	6.4
217.15872	11.2
218.10825	5.6
219.11717	12.6
220.12509	9.4
221.13255	21.0
221.15378	54.9
222.13942	6.6
222.15831	9.4
223.14798	9.9
225.16263	7.3
226.16707	4.0
229.15666	4.7
230.11015	4.8
231.11668	10.5
231.17529	4.9
233.13245	9.2
233.15344	4.9
234.13954	7.8
235.14821	11.5
236.15479	5.6
237.16463	7.7
239.18063	5.9
243.11775	4.2
245.13326	9.1
246.14018	5.9
247.14847	11.1
248.15573	6.6
249.16385	11.6
251.17865	7.0
257.19086	5.0
259.14923	7.3
261.16376	12.5
263.17987	7.3
265.19565	8.2
267.17535	4.5
269.18991	7.1
271.14548	4.6
273.16159	8.6
275.17972	11.1
281.18793	3.8
283.20450	19.5
287.20139	5.0
289.19519	7.7
307.20438	4.7
329.17291	8.3
331.24103	4.0
331.73807	4.5
347.18622	6.4
349.25201	10.3
366.25317	4.6
371.22855	7.1
373.23846	8.0
491.34726	8.4
495.68372	4.1
565.31805	8.7
565.40222	17.4
583.41504	80.4
584.41479	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	583.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.4
55.01870	2.9
55.05505	23.9
57.07076	14.1
57.98870	1.6
59.04993	3.8
65.03933	3.9
67.05501	28.5
69.03426	7.9
69.07068	25.8
69.99564	4.0
69.99960	3.9
71.04985	2.8
72.77927	1.7
75.40585	1.8
79.05490	32.8
81.07056	38.2
81.84811	1.9
83.04976	8.8
83.08616	12.4
85.06549	5.8
91.05476	64.9
92.05830	2.5
93.07040	70.7
94.07362	3.4
95.04977	12.6
95.08599	41.5
97.06524	8.1
97.10149	3.2
98.22701	2.5
103.05476	6.6
105.04524	4.1
105.07026	87.7
107.04947	3.0
107.08590	52.7
109.06517	10.7
109.10154	24.5
111.11722	3.6
115.05470	7.3
116.06240	2.8
117.07017	23.8
119.08577	100.0
120.08887	3.4
121.06503	7.1
121.10139	61.1
122.10408	2.5
123.08069	14.3
123.11723	7.4
125.05981	4.0
125.09599	5.7
127.98535	1.9
128.06206	15.2
129.07002	19.4
130.07779	8.2
131.08560	35.6
133.06494	6.2
133.10124	43.7
134.10484	2.0
135.08015	11.4
135.11681	17.6
137.09644	9.6
139.11165	4.4
141.06956	12.1
142.07776	30.8
143.08556	44.5
144.09386	11.4
145.10129	53.8
146.10478	2.9
147.08043	12.5
147.11646	15.2
149.09610	10.2
149.13277	3.7
151.07512	9.1
152.86827	1.9
153.05522	2.6
153.06975	7.0
153.09102	2.6
154.07791	5.9
155.08536	22.0
156.09335	21.7
157.10127	57.2
158.10905	10.2
159.08069	6.0
159.11690	23.7
161.09631	5.8
161.13246	7.3
163.11197	7.5
163.14925	2.4
165.06985	8.2
165.09117	19.9
166.07788	4.8
167.08522	12.5
167.10675	32.0
168.09326	6.1
169.10107	32.2
170.10896	10.1
171.11678	33.6
172.12164	3.2
173.09644	4.9
173.13292	24.6
175.11209	5.5
175.14841	9.9
176.54851	2.0
179.08534	18.6
180.09331	10.6
181.10123	18.4
181.12190	5.4
182.10860	8.2
183.11681	29.6
184.12460	4.0
185.09666	2.6
185.13243	15.0
187.11102	2.6
187.14780	7.8
189.12762	5.3
191.08592	2.9
191.14299	6.7
192.09340	3.3
193.10118	17.1
194.10912	11.3
195.11687	23.0
195.13396	3.4
196.12436	7.7
197.13268	18.0
198.13968	2.5
199.14783	11.6
201.16393	6.0
203.14357	5.7
204.09300	2.3
205.10118	5.6
206.10905	8.8
207.11703	22.2
207.13649	4.0
208.12390	7.9
209.13281	25.1
210.13994	2.0
211.09514	3.5
211.14740	11.7
213.16335	4.7
215.14359	3.9
217.10121	5.8
217.12100	2.3
217.15895	8.3
218.10788	4.7
219.11711	11.1
220.12462	3.1
221.13219	19.7
221.15379	30.3
222.13976	4.8
223.11200	2.3
223.14847	12.9
225.16394	5.9
230.10857	2.7
231.11610	9.2
232.12431	6.0
233.13242	8.9
233.15372	11.1
234.13924	4.5
235.14873	11.8
237.16389	7.8
239.17958	4.6
243.11737	3.9
244.12437	3.2
245.13251	7.2
246.13959	4.3
247.14838	10.2
247.17029	3.2
248.15533	4.8
249.16406	10.7
250.17130	2.5
251.17999	5.4
257.13217	3.5
257.19016	6.1
258.14056	3.5
259.14777	6.4
260.15479	5.9
261.16400	10.6
263.17828	6.3
265.19461	5.2
269.19003	3.5
271.14761	3.3
273.16315	5.5
275.18036	11.8
277.19547	4.2
283.20465	12.3
285.16013	2.4
285.18750	2.8
287.17633	3.6
289.19458	3.5
290.20203	2.5
291.20935	2.5
295.20361	2.2
307.20587	2.7
315.21088	3.0
321.61276	2.1
329.17477	3.6
331.24326	2.4
347.18634	7.0
349.25101	4.8
357.25458	2.7
361.25287	2.3
375.26578	3.5
427.29977	2.1
491.34958	5.1
509.33795	2.7
536.37006	2.2
565.31818	4.9
565.40460	9.9
583.41339	44.8
584.41681	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	583.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44762	6.6
55.05506	36.6
57.07069	22.9
67.05512	49.0
69.03410	9.4
69.07059	39.8
70.99738	9.8
71.00055	7.9
79.05481	47.7
81.03386	8.8
81.07055	69.0
83.08608	20.2
84.68143	6.2
85.06550	7.4
89.06035	10.2
90.57983	7.2
91.05477	63.0
93.07046	85.4
95.04957	13.1
95.08612	70.1
97.06510	13.9
97.10154	15.1
105.07030	90.4
107.08589	60.1
109.06512	12.9
109.10152	41.9
111.08040	9.3
117.06997	29.9
119.08583	100.0
121.10152	61.6
123.08079	22.9
123.11694	14.9
125.09667	11.2
128.06181	9.6
129.07007	16.4
131.08568	54.2
133.10161	48.4
135.07994	14.8
135.11687	27.4
137.09586	12.7
141.06953	10.7
142.07776	28.6
143.08542	57.3
144.09297	11.0
145.10133	75.9
147.08034	15.9
147.11650	25.6
148.33159	7.9
149.09613	10.9
151.07582	11.4
155.08531	23.4
156.09348	21.6
157.10104	54.8
158.10863	11.7
159.11676	32.4
161.13258	23.5
163.11214	10.6
165.06923	9.1
165.09122	31.5
167.08504	8.0
167.10732	12.1
168.09280	7.7
169.10127	39.4
170.10869	9.6
171.11694	45.2
173.13249	30.3
175.11044	9.0
179.08560	15.8
180.09315	8.5
181.10135	19.6
181.12187	7.3
182.10941	8.2
183.11688	48.5
185.13228	22.4
187.14827	11.0
189.12787	7.6
191.14226	7.7
193.09970	15.7
194.10907	14.1
195.11765	17.9
197.13255	18.5
199.14806	26.9
203.14311	13.6
205.10156	8.4
206.10919	9.8
207.11720	22.4
207.13638	10.7
208.12312	13.0
209.13274	32.6
211.14743	18.3
217.15808	9.0
219.11790	9.3
220.12328	9.4
221.13203	23.5
221.15373	48.0
223.14819	15.7
231.11655	11.0
233.13156	17.3
233.15280	7.7
235.14740	10.6
235.53867	7.5
237.16357	8.9
245.13257	13.4
246.13860	7.8
247.14816	15.7
249.16373	11.7
251.17764	8.0
259.14819	10.4
261.16177	10.8
263.17819	18.4
283.20609	16.9
347.03137	7.9
453.62787	7.4
565.40521	15.3
583.41748	63.0
584.41431	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	583.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11172	1.5
51.59867	1.6
53.03943	7.0
55.05509	22.0
57.03434	2.2
57.07071	19.2
59.04993	5.7
65.03943	6.2
67.05503	39.5
67.30907	1.7
68.05843	1.7
69.03428	7.6
69.07069	22.8
71.04992	2.3
77.03926	3.1
79.05494	40.7
80.02027	1.4
81.03453	2.8
81.07058	50.8
82.07418	2.4
83.04980	8.2
83.08626	12.4
84.05367	1.8
85.06536	10.3
87.04484	1.5
91.05477	66.2
93.07045	72.3
95.04964	17.2
95.08604	50.7
96.08977	3.0
97.06525	7.4
98.07462	1.4
103.05482	5.8
105.04556	3.6
105.07029	98.6
106.07352	3.4
107.04950	2.0
107.08593	63.2
109.06516	12.4
109.10153	30.9
111.08093	2.4
115.05428	7.9
116.06329	2.7
117.07027	20.9
119.08581	100.0
120.08926	3.2
121.06517	6.6
121.10141	61.4
123.08071	20.4
123.11665	10.2
125.06006	4.0
125.09637	2.9
128.06213	16.8
129.07004	25.3
130.07854	8.5
131.08571	43.7
133.06491	4.2
133.08632	2.4
133.10126	49.5
135.08034	14.0
135.11708	21.0
137.05992	1.7
137.09613	17.2
139.11192	4.2
141.06992	14.0
142.07782	33.9
143.07434	2.7
143.08560	53.9
144.09372	8.5
145.06506	2.1
145.10127	63.7
147.08040	19.4
147.11674	20.9
149.09613	9.3
149.13295	4.4
151.07539	20.0
151.11185	2.3
153.07028	6.7
153.09146	3.3
154.07788	5.9
155.08568	21.6
156.09341	23.9
157.10133	61.5
157.68770	1.6
158.10927	10.3
159.08098	4.3
159.11690	32.0
161.09607	10.2
161.13239	8.8
163.11159	10.3
165.06967	10.7
165.09105	40.5
165.10394	3.0
166.07784	3.5
167.08562	14.5
167.10654	12.6
168.09331	11.2
169.10120	39.4
170.10901	12.6
171.08141	1.7
171.11690	43.7
172.12306	3.2
173.09679	6.6
173.13249	29.8
174.13702	1.9
175.11218	6.4
175.14786	8.1
177.09068	1.9
178.07779	2.1
179.08559	21.4
179.10133	2.0
180.09369	10.1
181.10158	22.9
181.12247	6.3
182.10962	9.0
183.11670	36.8
184.12459	7.6
185.09686	3.6
185.13266	23.4
186.14050	1.7
187.11237	4.4
187.14795	8.1
189.12726	8.9
190.07841	2.0
191.07059	2.7
191.08728	3.0
191.10728	2.3
191.14336	12.4
192.09370	8.2
193.10138	18.0
193.12044	2.3
194.10922	18.0
195.11685	28.0
196.12381	9.8
197.13264	24.8
198.14021	4.1
199.11206	2.7
199.14842	17.2
201.12720	2.3
201.16504	3.7
203.08612	2.7
203.14311	17.9
205.10155	5.7
206.10834	9.6
207.11739	27.3
207.13861	8.5
208.12453	11.7
209.08022	2.7
209.13280	34.4
209.15181	2.3
210.13936	6.6
211.11258	2.0
211.14798	14.8
212.15456	2.2
213.12859	3.1
213.16368	3.9
215.14301	4.1
217.10124	4.6
217.15857	12.4
218.11037	4.3
219.11748	10.9
219.13579	2.0
220.12381	8.1
221.13286	23.1
221.15421	67.4
222.13968	6.5
222.15877	3.2
223.11314	2.8
223.14835	18.5
224.15480	3.2
225.16466	5.5
227.14360	5.7
229.10246	3.1
229.15802	3.3
230.10898	3.1
231.11717	6.0
231.13765	1.8
232.12508	6.2
233.13280	12.8
233.15424	7.8
234.14020	5.9
235.14883	14.8
236.15625	4.0
237.16605	7.6
239.14278	3.7
239.17952	4.6
241.15921	3.4
243.11798	4.1
243.17502	2.1
244.12520	5.2
245.13309	10.4
246.14047	6.7
246.16628	1.7
247.14848	11.3
247.17078	4.1
248.15450	4.2
249.16377	13.4
250.17009	3.1
251.17987	5.2
253.19463	4.2
255.17599	2.5
257.13312	5.1
257.19012	9.6
258.14035	3.4
259.14807	9.4
260.15652	6.3
261.16299	9.9
262.17175	3.1
263.18008	9.0
265.19522	7.9
269.19058	4.8
270.14291	2.1
271.14722	2.5
272.15665	2.6
273.16403	5.3
273.18832	3.8
274.17041	3.5
275.17862	12.8
276.18494	2.2
277.19507	6.9
279.23434	1.8
281.18915	3.0
283.20538	16.2
286.19531	2.0
287.17462	2.6
287.20090	5.2
289.19565	4.2
290.20233	2.1
291.21124	2.2
293.19080	3.1
293.22571	1.7
295.20633	5.6
297.22220	3.8
299.20468	2.1
300.20944	2.2
301.19412	3.4
303.20779	1.8
313.21613	1.9
315.21219	2.2
316.21613	2.1
317.22821	1.9
329.17609	3.7
329.22574	1.9
331.24298	6.7
333.22324	3.8
335.23532	3.1
341.13333	2.1
347.18512	2.6
349.25351	9.0
357.25922	2.7
361.25583	3.3
365.24759	3.6
373.25143	2.2
375.26797	8.0
399.34311	1.9
403.30176	7.5
427.29514	1.9
472.60001	1.6
491.35086	6.1
503.35452	3.5
547.30322	2.5
547.39130	4.3
565.31665	3.2
565.40338	18.9
566.40619	5.0
583.41437	84.0
584.42010	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	583.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	8.2
55.05510	29.7
57.07066	11.6
59.05006	7.6
65.03931	6.9
67.05504	43.4
69.03430	11.5
69.07066	27.7
69.24306	33.8
76.72836	4.6
79.05498	43.2
81.07058	52.5
83.04970	8.2
83.08614	14.9
85.06523	9.5
91.05469	73.2
93.07043	73.6
95.04976	15.7
95.08600	52.6
97.06520	9.6
97.10170	7.6
103.05453	4.9
105.07015	85.6
107.08589	57.6
109.06522	10.8
109.10163	32.1
111.08097	5.2
115.05488	5.3
117.06976	24.1
119.08562	100.0
119.38627	4.6
120.11984	4.2
121.06477	7.7
121.10144	56.9
123.08047	20.4
125.06033	5.7
125.09650	4.9
128.06241	18.6
129.07010	19.0
130.07785	5.4
131.08571	48.8
133.06464	5.7
133.10123	43.2
135.08061	8.6
135.11696	12.2
137.09653	14.4
141.07019	9.6
142.07787	29.4
143.08553	55.8
144.09329	8.6
145.10089	60.9
147.08052	11.8
147.11690	14.9
149.09618	9.8
149.13222	6.7
151.07559	17.1
155.08533	21.9
156.09309	25.7
157.10135	61.7
158.10847	9.5
159.08031	7.6
159.11642	32.0
161.09587	7.8
161.13234	13.2
161.24625	4.6
163.11139	7.9
165.07021	10.5
165.09087	25.1
166.07693	4.8
167.08574	14.7
167.10690	11.6
168.09377	8.1
168.59424	4.1
169.10106	34.9
170.10872	8.9
171.11703	33.1
172.12398	4.1
173.13248	26.2
175.11174	8.9
175.14818	12.2
179.08600	16.2
180.09276	8.2
181.10098	22.1
181.12149	4.4
182.10947	10.3
183.11742	37.7
184.12379	8.8
185.13261	18.3
187.14822	8.4
191.14368	14.1
192.09309	5.3
192.52266	4.3
193.10161	16.6
194.10887	14.0
195.11691	22.5
196.12453	4.8
197.13205	30.3
199.14792	24.2
203.14287	11.4
206.10890	7.1
207.11703	19.6
207.13734	4.9
208.12421	13.0
209.13290	32.1
211.14871	12.7
213.16446	4.3
217.15877	13.2
219.11697	12.4
220.12444	6.3
221.13245	19.4
221.15392	46.5
222.13956	7.2
223.14851	16.8
225.16353	5.5
231.11635	7.4
233.13231	12.2
233.15372	8.9
234.13710	6.2
235.14746	20.1
237.16286	7.2
245.13295	8.9
246.14050	6.2
247.14801	13.5
248.15637	5.8
249.16425	7.8
250.16994	5.8
259.14944	7.8
260.15475	9.4
261.16406	15.7
261.22211	5.2
265.19559	9.5
275.17917	10.8
277.19534	6.0
281.19092	5.8
283.20605	10.1
295.20453	8.0
301.19446	4.9
329.22992	4.8
331.24048	8.1
349.25211	8.7
365.24857	5.3
375.26682	4.5
403.29993	9.9
413.99338	4.6
491.34753	9.1
501.32999	5.7
565.40356	21.9
583.41559	82.0
584.41364	14.8
584.55756	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	583.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81858	1.4
53.03942	5.1
55.01871	2.0
55.05515	15.5
57.07077	10.9
58.12433	1.3
59.04997	4.7
60.55385	1.3
60.58847	1.5
65.03930	4.1
67.05507	32.8
69.03443	7.0
69.07071	16.1
71.04989	3.8
71.31477	1.7
77.03916	2.0
79.05499	28.8
81.07057	39.7
83.04992	4.8
83.08620	8.3
85.06544	7.1
91.05480	34.3
92.05817	1.6
93.06457	2.9
93.07047	59.8
94.07346	2.0
95.04978	10.5
95.08606	55.4
96.08951	1.7
97.06532	5.4
97.10195	4.0
103.05465	2.4
105.04517	2.8
105.07032	59.5
105.07745	2.9
106.07357	1.6
107.04948	7.3
107.08596	40.0
109.06535	9.4
109.10157	23.3
111.08112	3.8
113.06033	2.5
115.05441	3.0
117.07024	10.6
119.08582	51.1
121.06505	9.7
121.10146	35.6
121.10994	2.5
122.07296	1.8
122.77648	1.3
123.08058	29.7
123.11699	11.5
125.06002	2.8
125.09635	2.4
128.06273	5.8
129.07011	11.2
130.07791	2.1
131.08574	20.7
132.09088	1.8
133.06531	3.7
133.10133	32.5
135.08032	11.7
135.11693	16.1
137.05974	2.1
137.09615	22.4
139.03929	2.4
139.11179	6.5
141.07004	4.9
142.07788	15.2
143.08569	24.6
144.09360	4.4
145.06415	2.6
145.10133	30.1
147.08051	25.6
147.11684	12.3
149.09641	7.1
149.13293	3.7
151.07561	31.7
151.11237	4.8
153.05466	3.0
155.08575	11.3
156.09338	13.4
157.10132	33.5
158.10866	4.3
159.08102	3.9
159.11711	19.8
161.09641	6.2
161.13232	7.6
163.07527	3.7
163.11220	5.1
165.07048	3.3
165.09119	46.3
165.12701	2.3
166.07753	2.1
167.08559	7.0
167.10666	2.9
168.09328	3.5
169.10129	15.7
170.10933	8.8
171.11700	22.6
172.12416	1.4
173.09639	5.6
173.13226	12.4
175.11182	4.3
175.14894	4.6
176.72411	1.5
177.09164	2.4
177.12717	2.1
178.07864	1.7
179.07140	3.2
179.08586	7.1
180.09363	4.4
181.10065	11.1
181.12296	2.6
182.10925	6.9
183.11665	15.1
184.12402	3.0
185.09685	1.9
185.13274	16.7
187.11205	4.8
187.14830	4.1
189.09238	2.6
189.11246	3.0
189.12817	9.2
191.07022	15.6
191.08533	2.4
191.10706	1.7
191.14322	3.9
192.09366	2.0
193.08641	3.0
193.10191	8.2
193.12151	2.4
194.10901	6.3
195.11694	16.3
196.12482	6.5
197.13240	14.0
198.14049	1.9
199.11259	2.6
199.14862	7.0
201.16428	2.2
203.14301	23.5
205.08553	3.3
205.10260	2.6
206.10934	5.1
207.06638	1.8
207.11714	11.5
207.13853	8.3
208.12433	4.7
209.08044	13.0
209.09760	1.5
209.13281	15.1
209.15244	2.5
210.13811	2.0
211.09563	7.3
211.14803	9.5
213.16365	4.1
215.07071	1.7
215.14366	2.0
217.08600	2.8
219.11768	3.4
219.13765	1.8
219.17528	4.0
220.12524	2.9
221.08333	1.9
221.13312	9.5
221.15341	75.3
222.13925	2.8
222.15759	4.0
223.09668	2.1
223.14899	10.5
225.16415	4.2
229.08562	2.1
231.11754	3.5
231.17567	3.8
232.12572	2.4
233.13390	3.8
234.14015	3.8
235.09680	1.8
235.14824	5.4
236.15536	2.1
237.14622	2.8
237.16615	2.3
238.15189	1.7
239.17850	2.8
245.13438	2.3
246.14108	2.5
247.09714	5.3
247.14838	6.8
247.16904	2.8
248.15573	2.3
249.16435	6.0
253.19539	2.8
257.18994	4.0
259.12991	1.7
259.15097	3.0
260.15552	3.4
261.16528	3.5
263.13116	1.5
263.17920	3.1
265.10730	2.3
265.19473	3.0
269.11807	2.1
269.19165	2.4
271.17053	1.5
271.20596	2.3
273.11285	1.8
273.16269	3.0
275.17694	1.9
277.14197	2.3
277.19498	1.9
279.21008	3.2
281.18903	2.5
283.20660	4.5
286.19455	2.1
287.20230	3.4
289.19620	2.1
291.21039	2.0
295.20645	4.1
297.22186	5.4
305.17334	1.6
309.22110	2.3
311.16409	4.6
315.21112	2.6
319.24234	1.8
329.17453	21.4
329.21802	1.9
329.22958	1.9
330.17926	1.7
347.18552	54.1
347.22824	2.1
348.18979	4.0
349.25290	2.9
352.24161	2.2
357.25601	3.6
365.24814	2.8
375.26843	5.7
385.29013	3.1
401.23041	2.7
403.29938	17.1
409.20026	2.4
415.21054	1.9
427.21167	1.8
465.22775	1.8
491.34821	1.5
495.27313	2.1
503.35196	7.0
509.34265	3.2
547.30615	8.0
547.39374	4.7
565.31537	23.6
565.40472	32.4
566.31860	4.1
566.40717	5.5
583.33026	8.2
583.41388	100.0
584.41882	15.9
584.55939	2.6
594.27057	1.8
596.72412	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.9
55.01878	1.1
55.05509	4.7
58.69337	0.8
67.05500	6.4
67.76392	0.9
69.03436	7.8
69.07080	1.0
69.36927	3.0
69.37350	3.2
71.04986	1.3
79.05489	11.8
81.03400	8.3
81.07052	5.3
83.04983	3.7
85.02898	6.0
91.05470	5.7
93.07050	4.0
95.04967	6.6
95.08585	2.9
97.02905	3.6
97.06541	2.9
98.23280	1.2
99.04441	6.8
105.07031	8.9
105.82480	0.8
107.04947	20.2
107.08606	1.6
109.02883	5.7
109.06514	4.0
109.09398	1.5
109.10152	28.3
109.10867	1.8
109.22037	0.8
111.04459	2.9
117.07021	2.1
119.04878	0.9
119.08580	7.5
121.06507	3.3
123.04411	1.2
125.06001	2.7
127.03922	3.8
128.06219	3.8
129.06984	3.8
133.10110	11.2
134.10431	0.9
137.05989	1.1
137.09608	54.1
138.09940	1.6
139.04036	0.8
141.45119	0.9
143.07025	1.6
143.08549	13.4
143.09601	1.2
145.06462	1.4
145.10176	2.6
146.07272	3.4
146.15088	0.8
147.08040	20.9
153.01854	2.4
159.08049	1.5
161.09605	100.0
162.09955	4.5
163.11232	2.8
165.09103	84.9
166.09419	2.5
174.06784	1.9
179.10686	8.9
187.07602	0.8
189.09073	11.3
197.11682	4.3
207.10149	86.6
208.10559	3.1
225.11201	52.0
226.11610	2.3
243.12311	1.4
291.12253	1.0
308.52560	0.9
309.12790	0.9
351.14508	1.2
369.15512	4.0
387.16440	31.6
388.16626	1.6
549.22009	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66134	2.2
55.05515	2.2
55.23755	2.3
57.03440	3.6
60.56671	1.9
67.05490	7.6
69.03414	11.3
69.07072	2.7
71.04995	4.1
71.35356	2.2
79.05506	13.1
81.03414	6.6
81.07061	6.5
83.04974	5.9
85.02904	32.7
91.05470	8.1
92.71795	2.2
93.07029	2.9
95.04923	5.7
97.02875	13.2
97.06491	5.3
99.04443	9.8
99.90316	2.1
100.13754	2.0
105.07031	7.2
106.61182	2.1
107.04966	21.4
107.08554	2.4
109.02838	4.4
109.10143	28.9
111.04453	5.0
114.09203	2.4
119.08575	10.8
127.03924	5.1
127.34656	2.1
128.06224	6.4
129.07011	5.4
131.08594	2.8
133.10132	12.3
137.09613	55.6
138.09874	2.8
139.03877	4.2
140.04248	2.5
143.06827	2.8
143.08553	12.9
145.04958	10.0
145.06496	3.2
145.10112	4.0
147.08060	16.1
151.03963	2.3
151.07555	2.6
153.01848	7.4
153.05515	2.6
159.08063	3.7
161.09612	93.4
163.05995	4.4
165.09106	93.3
166.09460	3.3
174.06725	2.5
179.10643	9.1
187.07472	3.2
189.09081	15.8
207.10152	100.0
208.10541	3.3
219.10193	2.6
225.11217	73.0
233.11534	3.4
243.12151	2.9
249.11249	38.0
277.01639	4.4
292.04068	12.7
326.16187	2.5
387.16489	12.7
391.94681	4.4
414.96112	4.8
584.18512	4.7
584.43634	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	584.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.7
55.01862	2.0
55.05500	4.1
57.03440	2.2
67.05492	7.2
69.03434	12.4
71.04994	2.6
79.05491	13.8
81.03407	11.5
81.07052	5.0
83.04987	4.7
83.12526	1.4
85.02903	11.3
88.87769	1.3
91.05467	6.6
93.07028	3.8
94.75301	1.2
95.04949	5.5
95.08597	3.6
97.02886	7.1
97.06509	2.7
98.23319	3.6
99.04443	11.5
105.07011	9.7
107.04945	21.1
107.08594	3.1
109.02865	14.4
109.06515	5.6
109.10152	32.2
111.04432	2.5
117.06997	1.8
119.08571	9.1
121.02859	2.7
121.06491	3.6
125.05954	3.7
127.03938	8.6
128.06218	4.7
129.06969	2.7
129.54739	1.3
133.10106	10.4
137.05994	2.0
137.09608	56.8
137.59036	1.3
138.09926	2.5
143.08557	13.5
145.10033	2.2
146.07213	1.9
147.08032	19.6
153.01857	5.0
159.08081	1.7
161.09605	100.0
162.09970	2.9
163.11188	2.8
165.09100	83.8
166.09459	3.7
171.08012	1.7
174.06779	2.1
179.10686	7.5
179.12010	1.5
189.09106	12.0
197.11633	2.9
207.10153	71.3
208.10590	2.6
225.11194	43.9
226.11476	1.6
269.11911	1.3
315.12421	1.7
327.26819	1.4
330.32816	1.3
351.14407	1.6
369.15283	5.9
382.00351	1.4
387.11661	2.5
387.16449	33.8
392.77917	1.8
546.80627	1.6
549.21692	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	584.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.2
55.01880	1.3
55.05504	3.5
56.15554	0.8
59.87516	0.7
61.02929	0.9
67.05501	7.5
69.03428	6.9
71.04974	2.6
71.35755	1.2
73.53309	0.8
79.05486	10.5
81.03410	8.0
81.07062	4.1
83.04971	3.7
85.02891	6.5
86.53487	0.8
91.05468	5.4
93.07030	2.8
95.04974	5.2
95.08597	3.0
97.02869	3.6
97.06524	2.4
99.04433	4.9
102.47875	0.9
105.07024	8.4
107.04942	22.2
107.08595	2.7
109.02871	4.8
109.06506	3.0
109.10147	30.9
111.04430	2.1
115.05450	0.9
117.07032	2.0
119.04877	0.7
119.08580	7.8
121.06507	2.8
121.10136	1.0
123.04443	1.5
124.17243	0.7
125.05972	2.9
127.03915	2.5
128.06215	4.9
129.07007	3.9
129.73862	0.9
130.07753	0.9
131.08594	0.8
133.06494	0.9
133.10121	10.9
135.08038	0.9
137.06001	0.9
137.09604	53.5
138.09941	2.2
143.07094	1.0
143.07300	1.1
143.08562	12.1
145.10098	1.8
146.07243	2.4
147.08040	19.6
153.01804	2.7
159.08044	1.4
161.09608	100.0
162.09970	4.4
163.07581	0.8
163.11220	2.8
165.09111	87.6
166.09430	2.5
167.45885	0.7
173.04393	1.7
174.06758	2.1
177.96933	0.7
179.10667	7.9
189.09074	10.9
197.11768	3.7
207.10150	83.7
208.10484	2.8
225.11197	53.2
226.11617	2.8
243.12245	1.6
298.76422	0.8
351.14386	2.2
369.15463	5.1
387.16455	28.1
388.16663	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	584.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.6
53.74759	0.7
54.05365	0.6
61.02921	0.7
65.03928	0.7
65.13231	0.6
67.05497	1.3
69.03428	1.9
69.07065	4.2
73.02922	0.8
78.04711	1.6
79.05483	4.7
81.03400	1.2
81.07002	0.7
85.02911	7.1
91.05471	4.3
93.03362	0.7
93.07056	2.8
95.04403	1.2
95.04969	11.0
97.02872	2.8
98.23411	0.9
99.04391	0.8
103.05450	2.8
103.06078	0.8
105.04520	0.9
105.07037	4.3
106.04119	1.2
107.04951	25.9
107.08560	0.9
108.05273	0.8
109.02885	1.0
110.03669	0.9
115.05437	2.2
117.07000	2.4
120.05676	0.7
120.25128	0.8
121.06502	4.3
123.04433	11.8
124.05205	3.6
125.06008	1.1
127.03893	0.9
128.06194	1.5
129.06990	1.9
130.07773	3.6
131.04915	0.8
131.08521	1.5
135.04507	0.9
135.08076	3.5
137.05994	4.2
138.06821	0.8
140.04643	3.7
143.08559	8.6
145.04993	1.2
145.06439	0.9
145.10117	22.8
147.07973	1.6
149.05962	1.1
151.03896	1.6
151.07536	0.7
152.04680	2.1
153.05373	1.0
153.72836	0.7
154.07733	0.8
155.07019	6.8
155.08539	6.0
157.06447	0.8
158.07259	19.7
159.08011	2.4
161.05980	2.1
161.09569	0.8
162.07663	1.4
163.03914	1.0
163.07489	5.4
163.11179	1.4
166.06242	2.7
167.07031	100.0
168.07384	2.5
171.06633	0.8
171.08022	0.9
173.09621	42.5
174.09956	1.1
175.07550	1.9
176.55771	0.7
177.05511	0.9
178.06265	1.2
180.08754	1.4
181.04976	15.8
181.08586	18.5
183.06567	7.3
183.09167	2.3
186.06744	3.6
189.09100	2.8
191.10674	4.0
192.07790	1.8
193.08646	1.5
195.10188	11.7
201.09097	68.7
202.09476	3.3
207.10097	1.2
211.09718	0.8
216.23674	0.7
218.09367	2.3
219.10162	17.4
220.10631	1.2
223.13214	3.1
233.11716	62.9
234.11993	3.1
235.19606	0.7
251.12773	67.9
252.07938	0.8
252.13153	3.1
350.58755	0.7
355.15335	1.1
387.18057	6.3
405.19086	5.9
551.15912	0.7
584.27789	1.4
585.27795	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
59.04994	0.7
64.01136	0.6
66.75620	0.5
69.18444	2.9
69.18869	2.2
78.04704	0.8
79.05485	6.6
81.07066	0.8
85.02892	1.8
91.05476	8.1
93.07047	7.3
95.04957	2.5
97.02909	0.8
98.22550	1.1
103.05434	2.7
105.07029	4.1
106.04150	0.9
107.04950	19.8
108.14143	0.5
109.06510	0.7
111.04417	0.5
115.05463	2.1
115.38735	0.5
117.07007	4.0
119.08556	0.8
120.05702	1.0
121.02886	1.0
121.06493	8.2
123.04426	2.7
124.05209	3.5
125.05991	2.4
128.06227	2.0
129.07001	2.2
130.07796	6.9
131.04962	0.8
133.06435	0.8
135.08040	0.8
137.05963	2.3
138.06779	1.1
139.07549	0.9
140.91702	0.5
141.06967	0.8
142.07738	0.9
143.08557	14.2
143.09628	1.1
144.05692	0.6
144.09050	0.6
145.06458	1.5
145.10115	40.6
146.10489	1.3
147.04388	0.9
147.08063	0.7
148.05194	1.3
149.05954	3.0
151.03877	1.6
152.04671	2.4
153.07001	1.2
155.05952	0.7
155.08562	9.3
157.06511	0.7
158.07256	35.1
159.07933	1.7
161.05968	1.2
163.07536	1.5
166.06215	5.6
166.41357	0.6
167.07031	74.4
168.07379	2.6
171.08015	2.8
172.08879	0.8
173.09613	68.0
174.09976	2.9
175.07431	1.2
175.86900	0.6
181.08585	69.4
182.08904	2.6
183.09186	4.0
185.06087	0.7
186.06758	7.8
189.09076	2.6
193.08470	0.6
195.10162	9.5
201.09097	100.0
202.09425	5.4
207.10176	0.6
218.09312	3.3
219.10193	0.7
221.11641	1.8
225.41383	0.5
233.11714	88.1
234.12038	4.7
251.12758	9.3
304.57199	0.6
308.10501	0.6
355.15067	0.9
387.17987	45.3
388.18304	3.9
418.37268	0.6
584.22760	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.4
53.03934	1.7
55.01856	1.1
57.03442	0.6
59.04985	1.2
59.97096	0.4
60.04510	0.7
61.02917	0.6
65.03938	0.9
67.05482	0.9
69.03421	2.1
69.07072	4.1
69.27618	3.5
78.04695	1.3
79.05502	4.7
81.03387	1.3
83.04949	0.6
85.02908	6.5
91.05475	5.0
93.07041	2.5
95.04964	11.6
97.02882	2.8
97.06503	0.8
103.05452	2.5
105.04484	0.9
105.07021	4.7
106.04170	1.0
107.04948	28.6
107.08566	0.5
108.05283	0.5
109.02870	1.1
115.05424	1.8
117.07027	2.8
119.04911	0.8
120.05671	0.6
121.06499	4.4
122.03621	0.6
123.04417	14.3
124.05229	2.7
125.05964	1.6
127.03892	1.4
128.06206	1.5
129.06987	1.9
130.07787	3.5
131.08603	2.0
133.06453	0.7
134.03578	0.5
135.04405	0.9
135.08035	4.6
137.05969	3.8
138.03105	0.4
140.04680	4.4
141.06978	0.7
142.02513	0.5
142.07785	0.5
143.08548	8.7
144.06583	0.8
145.04956	1.7
145.06476	1.5
145.10115	23.4
147.04352	0.9
147.08032	1.4
149.05974	1.3
151.03935	2.0
152.04671	1.8
153.05397	1.3
154.06302	1.1
154.07703	0.4
155.05974	0.6
155.07018	6.2
155.08537	7.0
157.06480	1.0
158.07260	22.6
159.08070	2.8
161.05972	1.6
161.09598	0.8
162.07582	2.2
163.03864	0.9
163.07545	4.9
163.11186	1.5
166.06236	2.0
167.07027	100.0
168.07372	3.2
171.06598	0.9
171.08049	1.9
173.09607	39.8
174.09955	1.4
175.07562	2.7
177.05447	1.0
177.09056	0.8
178.06227	1.8
179.07011	0.8
180.08658	1.7
181.04961	16.8
181.08569	21.4
182.08914	0.9
183.06537	8.6
183.09081	2.8
186.06714	3.8
189.09082	2.7
191.10626	3.6
192.07834	2.0
193.08615	2.2
194.09332	1.1
195.10152	14.1
196.10551	0.4
201.09094	71.1
202.09416	2.7
207.10165	1.8
209.08141	0.6
211.09706	2.0
218.09395	1.5
219.10141	18.9
220.10477	0.8
221.11678	0.6
223.13385	2.3
233.11713	54.5
234.12090	2.8
236.10321	0.6
249.08881	0.5
251.12776	64.1
252.13091	3.9
263.10709	0.6
297.63660	0.4
355.15381	1.0
359.15073	0.5
387.17981	5.9
388.18402	0.6
405.19098	5.6
527.55292	0.4
584.27466	0.7
585.27777	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.2
57.39927	0.2
58.61160	0.1
69.03411	0.3
69.04202	1.8
78.04714	0.8
79.05475	0.8
81.03397	0.3
85.02895	0.9
91.05498	0.4
93.07025	0.2
95.04948	0.5
97.02887	0.3
98.22616	0.4
103.05472	0.6
105.07030	0.6
106.04157	0.7
107.04964	1.0
110.03759	0.2
115.05460	0.2
121.06487	0.3
122.03626	0.3
123.04428	3.3
124.05209	1.1
127.03917	0.2
131.04927	0.5
132.05212	0.2
133.06459	0.4
134.03516	0.2
137.05968	1.4
138.06331	0.3
148.05188	0.2
149.05960	0.5
151.03902	2.3
152.04697	1.2
161.05968	0.7
162.07581	0.4
163.07486	0.2
167.07027	100.0
168.07355	2.9
179.06984	0.5
180.08780	0.3
181.04961	0.5
181.08604	0.7
191.07042	1.0
192.07355	0.5
193.08582	3.9
194.08804	0.2
195.10167	0.2
197.68512	0.2
207.10071	0.2
211.09650	11.5
212.10007	0.5
215.52774	0.2
307.09647	0.2
329.10205	0.2
333.25015	0.2
531.97711	0.2
585.28876	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4216
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	24.8
57.07050	41.2
61.03156	15.3
67.05495	33.7
69.07064	46.8
69.40126	85.5
70.06596	18.9
79.05483	45.7
81.07052	77.5
83.08617	18.2
89.06016	100.0
89.64026	15.4
91.05478	44.0
93.07026	79.4
95.04946	16.4
95.08586	80.7
98.22614	33.2
105.07023	69.9
107.08594	48.8
109.10124	28.7
109.24317	14.9
119.08574	92.3
121.10150	26.7
123.08113	18.9
123.11700	24.2
131.08554	47.0
133.08624	53.2
133.10123	41.4
135.08012	23.4
135.11699	26.0
143.08548	42.4
145.10110	61.4
147.08102	18.0
147.11591	18.9
155.08612	19.0
156.09372	16.9
157.10100	66.4
159.11703	37.8
161.13264	27.7
161.76196	14.4
165.09167	18.4
169.10080	29.1
171.11646	44.7
172.12646	16.5
173.13258	24.7
181.10088	18.5
183.11662	44.1
187.14912	20.4
193.10223	22.0
193.12117	23.2
197.13286	24.4
209.13177	18.3
221.15344	44.5
269.30399	15.9
275.10406	15.3
283.26254	20.2
311.29617	20.2
314.90897	16.2
352.23825	50.9
504.35764	66.7
584.42194	28.3
584.55975	63.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4221
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31506	3.4
51.89045	3.8
53.03931	5.5
55.05515	19.7
57.07071	32.6
67.05503	41.3
69.03428	5.8
69.07063	26.2
69.11816	31.0
70.06581	5.0
71.04991	5.8
79.05488	38.6
81.03411	6.3
81.07057	62.9
82.07383	5.2
83.04984	10.5
83.08629	10.0
85.06555	9.5
87.04471	4.4
89.06027	26.9
91.05479	56.8
91.06001	6.2
93.07043	81.1
94.07347	7.3
95.04974	14.6
95.08607	49.0
97.06532	13.8
98.23270	6.8
105.07027	85.9
106.07317	5.4
107.04929	6.0
107.08595	68.4
108.08932	7.5
109.06517	12.6
109.10168	30.3
110.10459	4.5
111.08079	5.5
115.05457	5.5
117.07011	26.3
119.08585	100.0
120.08873	6.3
121.06510	11.5
121.10129	47.6
122.10480	4.5
123.08093	23.1
123.11724	12.2
125.09637	5.1
128.06255	8.2
129.07028	20.1
130.07767	4.5
131.08575	51.2
132.09377	4.3
133.06509	8.1
133.08592	14.6
133.10133	59.1
134.10475	7.2
135.08098	23.4
135.11699	30.8
136.12073	5.6
137.06042	9.2
137.09659	17.6
139.07477	5.2
139.11163	9.0
141.07021	8.7
142.07820	27.4
143.08563	40.2
144.09285	12.0
145.10123	74.5
146.60918	3.8
147.08081	23.2
147.11668	25.2
149.09610	11.9
151.07539	9.9
151.11191	7.8
153.05490	6.1
153.06956	4.0
155.08597	19.0
156.09357	20.4
157.10133	53.0
158.10854	8.0
159.08054	7.5
159.11693	43.9
161.09660	13.2
161.13246	12.9
163.07558	6.9
163.11180	15.9
165.09071	30.0
166.09465	5.8
167.08592	5.0
168.09314	4.8
169.10123	20.5
170.10870	10.6
171.11740	28.8
172.12466	7.6
173.09621	5.8
173.13242	23.9
174.13615	3.7
175.11194	18.1
175.14816	12.7
176.11652	5.4
177.05551	5.2
177.11255	6.3
177.12808	4.2
179.07098	5.4
179.08537	6.9
181.10127	14.8
181.12207	10.4
182.10954	7.9
183.11699	23.1
184.12341	7.8
185.13206	20.4
187.11269	4.5
187.14867	12.8
189.12784	9.2
190.13577	4.7
191.07056	21.7
191.14345	5.2
193.08511	5.4
193.10181	5.8
193.12308	8.2
194.08994	5.0
195.11694	20.3
195.14018	4.8
196.12485	3.9
197.08069	6.0
197.13249	20.4
199.11118	5.7
199.14745	8.1
201.12668	6.6
203.14325	19.0
205.08501	9.2
207.11787	9.9
207.13814	10.8
208.12476	4.8
208.14465	4.8
209.08022	26.7
209.13284	20.4
209.15227	7.1
210.08467	4.5
211.09665	7.2
211.14882	10.5
212.10095	5.2
217.15990	4.9
221.13257	10.4
221.15324	55.4
222.13797	5.2
222.15843	6.6
223.09656	8.7
223.14801	10.2
225.16377	5.5
233.13304	4.7
233.15388	4.3
234.13976	4.7
234.16174	12.1
235.14871	8.3
236.15094	5.1
237.12672	6.5
237.16551	6.9
247.09502	5.0
247.16896	11.8
263.18073	4.7
283.17181	4.4
283.26318	5.0
297.18420	4.4
299.20111	9.3
311.19846	5.3
311.29449	7.3
325.21527	12.8
329.17520	8.8
330.17813	7.8
331.15445	4.1
331.18951	17.9
337.21631	8.9
347.18408	16.8
348.18741	14.1
349.20093	15.6
352.23978	70.4
353.24118	4.9
365.24789	19.2
371.22696	7.8
391.25909	4.8
398.28226	6.2
404.02383	4.2
404.30511	6.2
412.29703	14.6
438.31424	9.8
489.33844	5.8
491.34781	12.5
492.35403	9.9
504.35992	89.3
505.36490	18.0
548.30963	4.1
549.32513	9.8
549.40863	6.3
566.31622	12.0
584.33234	9.8
584.41895	21.9
584.56036	31.2
585.43988	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	584.4888
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19439	7.5
55.05499	30.2
57.07069	18.3
63.54317	7.2
67.05515	79.0
69.06844	27.9
70.06581	12.9
71.04960	11.7
71.08620	10.7
78.69089	8.1
79.05495	52.6
81.03405	9.4
81.07057	100.0
83.08615	25.2
85.42155	9.0
89.06030	44.1
91.05483	41.1
93.07033	62.2
95.04978	11.1
95.08602	87.7
97.10158	13.7
98.22552	20.9
105.07011	28.7
107.08594	31.6
109.10152	36.1
111.08029	9.1
113.17857	8.2
119.08574	31.0
121.10121	41.8
123.11713	11.7
131.08575	25.2
133.08600	26.0
133.10117	16.3
135.11685	32.7
145.10124	9.2
147.11757	16.6
149.13226	15.9
155.07268	7.7
157.10179	13.8
159.11613	11.7
161.13307	14.2
185.13190	11.6
188.46645	8.4
193.12209	9.2
235.20596	14.4
253.21721	10.8
256.26212	12.3
261.22177	21.9
279.23145	31.9
300.28909	8.6
311.29547	16.9
336.46857	8.2
339.28958	19.2
498.29956	8.3
501.94165	10.2
513.42981	12.3
515.37604	11.0
530.63953	9.8
549.41370	10.9
566.47644	18.9
584.56073	39.5
585.44843	21.8
585.56561	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	585.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44606	0.3
52.40750	0.3
53.03931	0.5
55.01867	0.7
57.03433	0.5
65.03947	2.6
68.99788	1.0
69.03420	0.8
70.65372	0.6
70.65717	0.4
71.01353	0.4
79.05495	0.4
81.03428	1.0
81.07076	0.4
85.02900	1.4
86.59418	0.3
91.05477	0.7
93.03393	0.4
93.07006	0.4
95.04966	2.0
97.02885	1.3
99.04430	0.3
105.07031	0.4
107.04932	0.4
107.08609	0.5
109.02892	1.5
111.00811	0.8
111.04453	2.6
119.05012	0.3
119.08714	0.4
121.02865	100.0
122.03143	2.2
123.04404	0.6
123.08116	0.3
127.03970	0.7
133.06496	0.4
137.02390	2.2
137.05963	1.9
139.03925	1.6
145.04947	0.4
145.06502	0.4
147.04395	0.9
149.02345	0.4
151.03891	0.8
153.01823	2.5
157.06769	0.3
161.06017	0.6
163.07526	0.6
165.01855	1.6
167.07025	1.4
173.05901	0.4
177.05482	0.4
183.02890	0.8
187.07567	0.4
201.05452	1.1
229.04959	2.7
247.05858	0.4
257.04407	1.7
265.06998	0.9
274.04666	0.5
283.08124	4.6
285.03891	0.6
303.04977	54.0
304.05316	3.0
315.04837	0.6
345.06021	0.9
353.46313	0.3
411.06924	0.7
431.38760	0.4
504.90866	0.4
585.15680	0.5
585.25513	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	585.1235
Annotation	Quercetin 3-(6''-p-hydroxybenzoylgalactoside)
Peak:m/z	Relative Intensity
53.03962	0.3
55.01870	0.5
57.03436	0.3
65.03938	2.9
66.72936	0.1
67.05473	0.1
68.99788	0.7
69.03426	0.7
69.08924	0.3
69.09326	1.1
71.01347	0.3
79.01875	0.2
81.03401	1.0
81.07028	0.2
85.02904	1.2
93.03390	0.4
95.04960	1.6
97.02885	1.0
98.22577	0.2
99.04462	0.2
109.02856	0.4
111.00814	0.4
111.04449	1.7
114.56173	0.2
121.02863	100.0
122.03196	1.9
123.04427	0.3
127.03902	0.6
137.02341	1.9
137.05923	0.2
139.03899	2.2
145.04973	0.3
145.06494	0.2
149.02368	0.2
153.01817	2.8
163.03943	0.3
165.01817	0.9
167.07036	0.3
171.02940	0.2
173.05984	0.4
183.02966	0.7
187.03893	0.3
201.05475	1.0
204.51660	0.2
219.06447	0.3
223.06024	0.3
229.05014	2.1
230.05351	0.2
239.03230	0.2
247.06061	0.4
257.04453	1.9
265.07037	1.0
274.04694	0.4
275.05573	0.2
283.08112	5.5
284.08417	0.2
285.03922	0.6
292.34833	0.2
303.04971	52.9
304.05298	2.6
315.04910	0.2
327.04996	0.2
341.06683	0.2
345.06024	1.0
369.06012	0.3
411.07040	0.5
513.73297	0.2
600.55792	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1238
Annotation	Quercetin 3-(6''-p-hydroxybenzoylgalactoside)
Peak:m/z	Relative Intensity
52.89798	0.2
53.03946	0.5
55.01870	0.5
55.05498	0.6
57.03434	0.3
61.02932	0.2
65.03938	3.2
66.66791	0.2
67.05500	0.9
68.99798	0.8
69.03431	1.0
69.07057	0.8
71.04985	0.4
71.32273	0.2
71.32721	0.2
79.05483	1.1
81.03423	1.3
81.07054	1.0
83.04987	0.5
85.02905	1.8
85.06536	0.3
91.05458	1.0
93.03400	1.1
93.07021	1.1
95.04952	0.9
95.08599	0.8
97.02898	0.9
97.06521	0.6
97.10172	0.4
98.03683	0.4
99.04459	0.5
103.05474	0.7
104.39977	0.2
105.07038	1.1
107.04940	1.9
107.08589	0.8
109.02888	1.2
109.06526	0.4
109.10166	0.5
111.00816	0.9
111.04403	0.9
114.04185	0.2
115.05480	0.2
117.07027	0.2
118.41338	0.2
119.08595	0.6
121.02867	63.0
121.10144	0.7
122.03178	1.4
123.04418	0.7
123.08062	0.2
125.05990	0.3
125.09692	0.4
127.03910	0.9
129.07066	0.3
131.04915	0.5
131.08551	0.6
133.06488	0.3
133.10162	0.5
135.04419	0.8
135.08060	0.7
135.11688	0.3
137.02344	3.6
137.03369	0.4
137.05971	1.0
137.09593	0.3
139.03889	1.9
141.05466	0.8
145.02820	0.2
145.06480	0.7
145.10149	0.4
147.04364	0.3
149.02345	0.5
149.05959	0.4
149.09601	0.4
149.13231	0.2
151.03903	2.0
151.07527	0.6
153.01828	4.1
153.05463	0.4
155.04965	0.3
157.06419	0.2
157.10115	0.2
159.08073	0.5
161.06000	0.7
161.09599	0.3
163.03925	0.8
163.07591	0.9
165.01851	1.8
165.05466	0.4
166.02528	0.2
167.07042	1.5
169.04971	2.7
173.05994	0.6
174.02441	0.2
177.05496	1.1
178.05894	0.2
179.03389	0.3
179.07047	0.2
179.10649	0.2
181.04971	0.2
181.08585	0.7
181.10097	0.2
183.02872	1.2
183.04388	0.3
187.03873	0.5
189.05412	0.4
189.09073	0.2
191.06963	0.3
191.10655	0.3
193.04988	0.6
195.08336	0.3
195.10162	3.3
197.04433	1.9
201.05441	2.2
205.04971	0.3
205.08604	0.6
209.09750	0.3
213.05524	0.3
213.09081	0.2
219.06529	0.6
221.11748	0.4
224.08224	0.2
227.10692	0.3
227.12804	0.3
228.04097	0.4
229.04974	4.4
230.05450	0.3
239.03340	0.2
247.06004	0.8
253.08585	0.3
257.04465	3.1
265.06946	0.4
265.10699	0.3
269.11755	0.4
269.21115	0.3
271.05847	0.3
274.04700	0.7
283.08115	1.5
283.11801	0.2
285.03955	1.4
285.11050	0.3
297.11111	0.6
301.10806	0.2
301.14313	0.4
303.04974	100.0
304.05310	5.0
313.14197	0.2
315.04855	0.2
315.12262	0.3
327.12323	0.4
329.13818	0.9
343.11847	0.3
345.06006	0.3
357.13361	0.5
359.14944	1.2
369.05817	0.3
389.15778	0.3
411.07306	0.3
541.16858	0.7
585.29218	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	585.2328
Annotation	Magnesium protoporphyrin
Peak:m/z	Relative Intensity
53.03933	1.0
55.01867	1.7
57.49311	0.5
65.03939	7.1
67.05494	0.9
69.64754	0.6
69.65034	2.8
79.05489	2.5
81.03419	0.5
82.04185	0.6
82.98109	0.5
85.02905	0.8
85.43095	0.6
91.05492	1.6
93.03403	3.4
94.04211	0.7
95.01319	1.3
95.04346	0.6
95.04971	1.9
97.06547	0.6
103.05448	1.5
105.04477	0.6
105.07031	2.1
107.04954	16.8
107.08602	0.7
107.54527	0.6
108.02100	1.3
108.05232	0.9
110.03650	7.9
111.04442	9.0
115.05431	0.9
117.07028	1.1
121.02871	9.0
121.03828	0.9
121.06506	1.0
122.03633	0.6
123.04446	1.1
125.05984	10.6
131.04886	1.6
131.08583	0.6
133.02820	1.2
133.06532	0.8
135.04428	2.1
135.08043	4.2
137.02345	0.6
137.05956	3.0
138.03160	0.9
144.05670	0.7
145.06458	1.4
145.07568	0.7
147.04378	0.8
147.08014	0.9
149.02351	1.7
149.06023	1.0
150.06709	0.8
151.03909	24.8
151.05037	2.0
151.07564	1.4
152.04346	0.6
153.05470	18.4
154.06062	0.8
157.06532	0.8
159.08054	0.8
161.06020	3.4
161.09627	1.9
162.06766	0.8
163.03841	0.6
163.07558	6.4
165.05460	1.6
165.06992	1.7
167.07047	9.5
167.08441	0.7
175.07552	1.5
177.05522	0.8
178.06252	1.1
178.07709	0.9
179.07074	0.9
179.08589	1.2
179.68443	0.6
180.07849	0.9
181.04956	2.5
181.06439	1.0
181.08588	0.9
182.07213	0.9
183.07976	0.8
184.05145	0.8
187.07512	0.9
189.09137	1.3
191.10733	0.5
193.06494	1.1
193.08572	1.4
193.10139	0.8
194.07303	0.9
195.06456	1.5
195.08182	2.3
195.10153	38.2
196.10469	3.3
197.05972	1.4
197.09541	1.3
199.07544	1.1
205.06531	0.6
206.07256	0.8
207.08093	1.4
207.10020	0.7
209.05904	0.8
209.09637	0.9
210.06770	2.2
211.07532	1.8
211.09406	0.7
212.08307	1.7
213.09097	1.1
219.08072	0.8
219.10089	0.7
221.06044	1.4
221.09602	2.0
222.06729	1.2
222.10416	0.9
223.07510	2.1
223.11212	0.7
224.08188	1.1
225.09137	2.7
227.07051	1.4
227.10681	1.5
229.08604	0.6
234.06714	0.8
235.07565	1.4
236.08246	1.0
237.05521	0.8
237.09119	1.6
238.06189	2.2
238.09882	2.9
239.07028	3.5
239.10620	1.5
240.07742	6.7
241.08455	2.1
249.09074	2.2
249.11348	1.2
251.06999	2.3
251.10620	0.8
252.07875	2.4
253.08565	13.7
253.12224	4.5
254.09248	2.5
255.06721	1.2
255.10127	4.0
256.10806	0.7
257.08105	1.6
257.11841	0.7
263.10754	0.6
265.08569	1.9
266.09427	2.5
267.06586	1.7
267.10016	2.7
268.07321	2.2
269.08127	4.0
270.08737	2.6
271.13211	0.6
272.10388	0.6
277.08582	1.5
279.06708	0.8
281.08032	3.9
281.11700	4.7
282.08838	2.4
282.11841	0.6
283.09607	6.2
284.10297	3.7
285.08026	0.9
285.11191	3.6
285.14822	1.6
294.08798	1.3
295.09634	3.0
296.10361	1.2
297.11069	1.6
298.08560	1.1
298.12021	1.2
299.09454	1.0
299.12729	5.1
300.09943	0.8
301.10568	0.8
303.04947	3.0
303.15903	0.8
309.11124	6.2
310.11835	1.9
311.09128	0.9
313.10678	8.7
313.14322	3.4
325.10715	0.7
326.11331	0.8
327.12238	29.2
328.12732	2.8
331.15305	3.8
339.12335	1.1
341.13831	3.9
353.13757	1.0
357.13318	1.5
359.14853	100.0
360.15283	9.5
371.14807	4.8
372.15610	1.9
585.28925	9.9
586.28845	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05468	0.5
69.03431	0.4
69.12721	1.9
69.13146	1.3
71.83905	0.4
78.04695	1.8
79.05462	0.8
81.03407	0.6
85.02908	0.5
91.05472	1.3
92.68143	0.4
93.07035	0.8
94.10135	0.4
95.04984	0.8
98.22601	0.7
99.08083	1.3
103.05453	0.6
105.07018	1.4
106.04160	1.1
107.04971	2.6
110.82108	0.4
115.05408	0.5
121.02863	0.8
121.06477	0.7
121.10079	0.4
123.04417	4.8
124.05241	1.8
125.05908	0.5
133.06451	1.2
135.04378	0.4
135.08060	0.6
137.05956	2.0
139.03911	0.4
147.04335	0.5
147.08034	0.4
149.05952	0.6
149.09590	0.4
151.03889	1.6
152.04680	0.9
153.01836	0.4
153.05316	0.5
161.06023	1.1
163.07498	0.9
167.07030	100.0
168.07338	3.6
175.07491	0.7
177.05585	0.4
179.06990	1.1
181.04935	4.8
181.08588	1.1
193.08595	3.2
195.10315	0.7
207.06517	0.5
209.11588	0.4
211.09651	8.2
213.11205	1.5
219.10257	0.4
235.13252	0.8
253.14330	0.4
255.08629	0.7
271.05984	0.3
362.91187	0.5
425.15918	0.4
585.15698	1.2
585.27527	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96312	0.7
55.01881	0.6
55.05507	2.9
57.07067	3.0
62.94803	0.7
64.02996	0.9
67.05506	6.9
69.03429	1.3
69.07060	6.2
69.37113	4.6
71.04979	1.4
75.21291	0.7
75.74219	0.6
79.05494	5.6
80.06228	0.6
81.07055	22.8
81.25568	0.6
83.04973	1.3
83.08631	1.4
83.75304	0.6
85.06532	1.0
89.06035	1.3
90.59039	0.6
91.05476	4.9
92.05753	1.0
93.07040	13.6
94.07355	1.9
95.04954	2.3
95.08611	5.1
96.08926	0.7
97.06521	1.6
97.10161	1.1
105.07025	5.5
105.19617	0.6
107.04942	0.8
107.08597	8.7
108.08918	0.9
109.06507	2.1
109.10154	11.9
113.05996	2.9
117.07016	2.0
119.08580	4.2
120.08878	1.1
121.06506	6.3
121.10137	4.5
123.08071	1.2
123.11697	2.0
131.08556	2.2
133.10130	2.6
135.08035	3.2
135.11693	10.2
136.12065	1.0
137.05994	1.4
137.09608	1.3
139.03961	0.7
139.11156	2.4
143.08478	1.1
145.06453	2.2
145.10121	2.7
146.10443	1.4
147.08049	1.4
147.11688	1.1
149.05963	4.4
149.09639	2.2
151.07530	1.0
151.11139	1.1
153.05354	0.7
153.09106	0.9
155.08592	1.0
156.09241	0.7
157.10091	2.4
158.10744	1.0
159.07994	1.1
159.11694	2.0
160.12022	0.7
161.05963	0.8
161.09576	0.8
163.07544	10.7
163.11235	0.8
164.07852	1.0
165.05470	0.7
165.09114	2.4
166.09465	1.0
167.10692	1.1
169.10057	0.9
171.11664	1.3
172.12132	0.8
173.05981	2.8
173.13309	1.2
175.07593	1.9
177.05449	2.1
177.09186	1.7
177.12772	1.1
178.06221	2.5
179.07053	2.3
183.11674	0.8
186.13603	0.7
187.07631	0.7
189.09056	1.1
191.07028	35.3
191.14215	1.0
192.07388	2.5
193.08600	1.2
193.12238	0.7
194.09207	0.8
197.08098	1.8
201.09167	0.8
203.07062	1.2
203.10762	1.8
205.08620	4.5
205.12141	0.8
209.08078	38.4
209.13341	1.1
209.15350	1.4
210.08443	2.8
211.09624	1.4
214.10085	0.8
215.07008	2.5
215.10591	0.9
217.08601	1.3
219.10175	1.2
221.15414	2.1
222.15704	1.2
223.09657	5.3
227.10544	0.9
229.08675	2.0
229.12186	2.1
231.10088	3.1
233.08130	1.6
233.11703	2.9
235.09682	1.2
237.11287	1.5
237.14819	4.9
242.09334	0.9
243.10188	1.2
245.11694	3.2
247.09709	2.0
249.11244	4.8
251.12743	5.2
256.26184	0.9
257.11722	9.1
261.11328	1.9
263.12811	2.7
267.12488	0.9
271.13449	1.4
275.12781	14.4
276.13217	1.2
289.14188	0.7
313.17960	16.3
313.21469	1.4
314.18259	1.7
331.19025	100.0
332.19324	7.8
348.18610	0.8
349.16348	1.5
349.20084	10.5
350.20435	1.4
353.24362	1.3
385.23633	2.1
409.19955	1.6
427.21039	2.8
450.19925	0.8
455.03082	0.7
467.24323	1.8
485.24942	1.7
493.25699	1.6
505.35867	2.2
521.32214	1.2
531.31958	0.7
549.32068	34.6
550.32520	5.1
567.33038	11.0
568.33514	1.2
573.87958	0.8
585.30365	1.1
585.56073	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4513
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.1
55.01872	2.5
55.05511	32.5
57.03438	10.3
57.07071	6.1
61.02722	1.6
61.19788	1.6
63.04330	1.8
67.05504	85.4
69.07066	27.8
71.04997	3.5
71.08620	4.1
79.05492	70.3
81.07056	95.6
83.04984	2.2
83.08620	15.1
85.06539	5.0
91.05479	54.6
92.58787	1.9
93.07045	61.4
95.04968	5.3
95.08605	69.7
95.09222	3.5
95.42831	1.9
97.06535	4.3
97.10173	8.8
99.08111	3.2
105.07030	53.2
107.08590	41.3
109.06544	4.0
109.10147	32.8
117.07018	21.0
119.08576	45.3
121.10139	37.6
123.11720	16.9
125.13186	1.9
128.06215	4.1
129.06992	11.7
131.08556	37.4
131.09451	2.8
133.10129	41.1
133.11156	2.9
135.08041	3.2
135.11693	21.5
137.09662	2.4
137.13254	4.3
141.07002	3.1
142.07805	2.2
143.08565	12.5
145.10135	33.6
147.11684	30.0
149.13231	12.8
155.08568	4.6
157.10103	13.9
159.11685	24.7
161.13237	15.7
163.14876	7.7
169.10164	5.4
171.11665	15.7
173.13217	17.1
175.14850	8.9
177.16446	3.4
183.11804	4.7
185.13264	9.4
187.14822	12.7
189.16420	4.8
191.14340	2.7
191.17973	2.6
197.13309	2.6
199.14857	7.8
201.16418	5.1
203.17990	4.5
211.14841	3.8
213.16362	8.7
215.17941	8.7
217.19467	3.5
225.16434	3.3
227.17950	2.8
229.19576	2.7
231.17534	6.8
231.21054	2.2
233.19040	8.4
241.19635	4.5
243.21078	3.8
245.19208	2.1
259.20633	5.9
261.22025	9.0
307.22623	10.9
309.24396	7.0
315.23306	3.8
317.24860	2.3
333.24341	6.9
335.25723	10.5
337.27527	7.9
341.28574	2.0
461.32028	2.0
487.37625	2.3
493.40463	8.5
511.41382	6.3
515.37225	2.2
529.39417	2.3
567.44067	14.1
585.45093	100.0
586.45703	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	585.4721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	24.6
57.07079	8.3
60.59673	3.3
67.05503	77.7
69.07069	37.9
69.38824	23.6
69.50446	3.8
70.09945	3.0
71.04996	5.3
79.05489	36.8
80.05824	3.5
81.07056	94.5
83.08622	22.8
85.06551	8.5
91.05476	27.1
93.07048	46.3
95.04971	5.8
95.08605	100.0
97.06536	12.1
97.10191	12.8
98.23227	4.4
99.08095	4.7
105.07053	16.3
107.08588	29.6
109.06461	5.0
109.10162	44.5
110.43710	3.1
111.08106	6.5
111.11696	4.7
117.07020	6.7
119.08591	15.3
121.10132	30.0
123.11676	19.1
131.08582	12.6
133.10117	23.2
135.08092	9.5
135.11685	34.3
137.13298	9.6
139.11165	4.1
145.10120	9.7
146.94614	3.0
147.11761	18.4
149.13275	12.9
150.13623	3.4
151.11259	5.0
157.10243	4.3
159.11699	8.6
161.13257	19.3
163.03925	10.4
164.40765	3.6
171.11722	4.4
173.09673	4.0
173.13351	6.7
175.11275	7.1
175.14822	8.9
179.14351	3.8
183.11739	3.3
185.13249	4.4
189.16350	4.0
217.19548	9.2
235.20514	17.2
243.21095	10.8
253.21629	12.3
261.22128	22.5
279.23196	72.9
280.23416	4.4
297.24240	22.1
367.51956	3.7
411.26712	3.4
495.41934	13.5
496.42566	3.7
513.42963	29.2
514.43085	8.1
531.44055	46.1
532.43945	4.4
549.45190	10.5
585.37067	12.2
585.56171	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	585.4726
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48352	2.1
53.03947	6.8
55.01864	3.7
55.05096	2.0
55.05514	35.9
55.05755	4.0
57.03448	3.4
57.07080	9.1
59.05005	2.3
62.96640	1.9
63.47562	2.1
65.03943	3.9
67.05506	91.7
69.03426	3.7
69.07071	36.3
71.04990	9.9
71.31662	3.4
79.05494	38.9
80.60677	2.5
81.07058	100.0
83.04995	6.8
83.08621	25.0
85.06545	8.7
91.05478	30.7
93.07047	51.3
94.07396	4.1
95.04977	6.3
95.08610	90.9
96.08926	2.2
96.21605	2.5
97.06548	12.4
97.10178	20.8
99.08093	6.0
105.07034	23.6
106.05775	2.1
106.07355	2.2
107.08597	30.4
108.08948	3.1
109.06516	2.4
109.10159	48.7
111.08089	5.4
111.11737	5.7
113.09677	2.5
117.07050	6.4
119.08589	21.8
120.08937	2.2
121.06532	4.1
121.10144	37.8
122.10474	2.7
123.08089	6.2
123.11726	18.6
125.09654	6.4
127.11188	2.8
128.06255	2.8
131.08549	13.6
133.10127	23.0
134.10466	3.0
135.08090	4.4
135.11696	24.5
137.06000	2.7
137.09608	5.6
137.13283	8.2
139.11186	4.7
143.08553	2.2
145.10126	12.7
147.11682	13.3
148.12053	2.5
149.09601	4.1
149.13271	8.1
151.11203	16.4
151.14828	5.2
152.11551	2.4
153.09123	2.4
155.10719	2.9
157.10149	3.9
159.07997	2.5
159.11720	6.5
161.13277	11.9
163.11281	5.0
163.14821	3.2
165.12814	3.7
167.10751	2.7
173.13269	8.6
175.14862	9.0
177.12695	3.2
177.16338	2.5
179.14305	3.0
187.14783	3.9
191.07115	3.5
191.14293	4.0
207.13870	2.4
209.15381	3.2
215.18112	2.6
217.19603	6.2
233.19083	2.2
235.20618	12.7
237.14854	3.1
243.21094	10.0
253.21727	4.0
261.22119	23.2
275.26425	2.6
279.23203	79.3
280.23636	4.0
297.24252	17.4
298.24606	2.6
305.17209	2.4
331.19147	2.6
399.14517	2.5
399.98862	2.1
404.21063	2.2
495.41888	5.2
513.43488	16.2
531.44214	14.3
532.44360	2.7
567.40558	3.9
585.33118	3.9
585.48016	2.9
585.55975	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	586.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21636	0.7
53.03935	1.5
53.61028	0.7
55.01862	0.8
57.03436	3.5
61.02925	4.7
62.68960	0.7
64.49453	0.7
65.03928	3.2
69.03429	9.2
71.04986	1.3
71.32389	1.1
73.02901	1.3
76.02791	0.7
79.05502	0.9
81.03402	5.2
83.04966	1.1
85.02900	54.0
88.09779	0.7
90.59964	0.7
91.03963	3.7
91.05475	100.0
92.05793	1.2
97.02886	34.1
99.04443	1.8
105.07040	1.3
108.02046	0.8
109.02858	5.3
117.07113	0.7
123.04411	1.1
127.03915	12.4
131.04890	1.2
133.06525	1.2
133.60837	0.7
135.04391	5.8
137.05998	1.8
139.03914	1.5
142.24788	0.7
145.04958	21.7
147.04404	1.6
149.05898	0.8
151.03902	19.6
151.04948	1.0
151.07512	1.1
153.01802	14.2
153.02907	1.2
161.05978	2.6
163.06009	5.1
163.07402	1.5
165.01855	1.3
167.07037	10.2
168.07428	0.9
169.04991	2.3
179.07050	1.6
181.04930	0.9
183.02917	4.1
188.77197	0.8
193.08604	4.0
211.09756	0.9
221.04343	1.4
227.07101	1.1
234.16266	0.8
245.08101	2.6
249.03894	5.3
267.05072	1.3
285.05948	1.8
313.09052	1.1
389.16058	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66640	0.8
53.03952	1.4
55.01865	2.5
55.05486	0.9
57.03430	1.7
61.02916	1.9
65.03940	1.6
67.05499	1.7
69.03429	4.2
69.13976	6.5
69.14384	1.8
73.02879	0.8
74.61536	0.7
79.05491	5.5
79.25027	0.9
81.03405	2.6
81.07061	1.7
81.39390	0.8
83.05000	7.2
85.02915	9.4
91.05482	14.5
93.03381	0.8
93.07035	2.6
95.04936	2.1
97.02902	6.3
103.05464	7.3
105.07031	24.2
107.04950	8.1
108.05735	1.9
108.98669	0.9
109.02878	2.3
109.06510	1.0
109.10173	1.5
115.05482	4.3
117.07030	1.0
117.37593	0.8
118.04168	1.9
119.04938	14.1
121.02863	1.1
121.06508	6.4
123.04435	2.2
123.08064	3.9
125.05984	2.7
127.03901	2.5
131.04930	8.2
132.05719	9.2
133.06493	24.1
134.06845	0.9
135.04390	1.7
135.08049	2.3
136.05162	1.7
137.05995	5.7
143.06012	2.5
145.04936	1.7
145.06564	1.2
145.42819	0.9
147.04398	5.9
148.05205	1.0
149.05984	10.2
151.03938	7.5
151.07533	22.8
153.01834	9.1
153.05453	10.1
159.04410	0.8
160.05162	3.4
161.05975	60.7
162.06395	2.0
163.03938	4.9
163.06395	0.9
163.07520	5.1
165.05476	3.8
165.09093	1.9
167.07063	12.3
168.07286	0.8
169.04955	1.4
169.08597	1.4
173.05957	2.3
175.07524	1.3
177.05475	12.2
179.07031	46.4
180.07677	2.9
181.05011	1.0
181.08588	10.6
191.07021	11.1
191.08624	1.0
192.06117	1.5
192.07813	19.4
193.08598	100.0
194.08966	3.3
195.06465	1.9
197.08083	22.7
205.08630	2.1
207.06432	4.1
209.08066	8.3
210.08549	1.0
211.09476	1.1
223.09676	7.6
235.09579	4.2
253.10629	1.1
266.60867	1.0
339.12292	1.2
357.13293	16.4
358.13617	1.6
377.15753	2.8
389.15912	39.8
390.16214	2.5
407.16977	5.4
586.25110	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
55.01870	0.9
55.05509	7.1
62.38076	0.5
69.03427	3.1
69.07055	0.9
71.04904	1.2
79.01840	3.5
81.03413	7.3
81.07038	0.7
83.04982	69.4
84.05327	0.8
85.02902	2.8
93.07033	1.4
95.05002	0.6
97.02896	4.9
99.04424	1.3
105.07013	0.9
107.01308	1.9
107.08576	1.4
109.02877	4.8
109.06506	0.5
109.10121	0.7
121.06493	0.6
121.10165	0.9
123.04505	0.5
125.02358	3.0
127.03925	7.0
135.04427	1.6
143.03394	4.2
145.04956	0.7
145.10150	1.1
151.03853	0.6
153.01828	100.0
153.02872	4.0
154.02141	3.3
155.10655	0.8
157.26424	0.5
163.11208	2.5
167.06998	1.1
167.10756	1.1
168.07364	0.7
169.08604	3.5
171.02892	9.3
181.12218	0.6
209.11777	1.3
219.13945	0.6
227.12781	5.3
237.14828	3.1
255.15965	3.5
297.06052	7.6
308.98001	0.6
315.07166	9.7
353.15982	1.3
371.16907	1.7
397.11160	1.5
544.41193	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.6
65.03934	2.1
69.03429	5.5
70.06572	2.0
71.31145	3.5
79.05488	5.5
81.03415	6.9
81.07054	2.9
85.02917	12.0
91.05480	6.2
95.04967	3.4
97.02896	7.0
103.05458	4.9
105.07043	3.0
107.04947	11.8
109.06523	2.9
115.05437	6.9
117.07036	9.2
122.03625	3.2
123.04401	2.5
124.05182	2.8
125.05964	2.5
127.03942	2.7
128.06236	3.8
129.07005	9.7
131.04919	9.0
131.08586	9.9
133.06537	3.2
137.05975	100.0
138.06339	2.0
139.03877	2.6
143.04936	5.4
144.05640	5.1
145.06451	11.1
147.04478	2.5
149.05962	3.8
151.03925	4.7
151.07576	2.9
153.01834	3.5
156.05690	12.8
157.06490	8.5
159.08060	13.4
160.05162	4.2
161.05957	5.3
162.07663	3.4
163.07552	6.3
167.07051	44.2
169.06465	3.2
172.05219	3.3
173.05968	14.9
174.06697	6.1
175.07541	34.7
177.05515	2.7
184.05191	3.8
187.07547	22.7
189.09111	5.0
190.06189	6.9
191.06970	2.2
193.08479	4.8
202.06232	5.7
203.08554	3.6
205.08595	33.1
209.08139	4.7
215.06886	4.3
215.08702	4.2
217.06555	2.8
217.08595	72.8
218.07185	4.1
218.09061	2.8
219.08118	3.3
219.10210	5.8
221.09619	6.9
231.08080	2.6
233.09534	6.2
234.06789	3.9
235.07587	4.4
235.09650	16.5
239.07018	5.7
241.08595	6.3
246.06677	2.4
247.09641	28.4
249.09059	11.1
249.11330	3.4
261.09201	14.3
261.11682	3.1
262.06488	2.8
262.10141	2.3
263.06973	4.9
265.10568	5.1
266.09332	3.8
269.08154	5.1
275.10556	2.4
277.08527	14.2
278.09372	7.5
281.11679	3.4
285.07559	12.4
286.08139	2.8
289.08701	4.5
293.08505	3.0
293.11703	9.5
295.09610	4.0
300.09912	21.3
301.10565	8.4
306.08817	4.5
307.09552	4.4
309.11163	14.1
310.11633	2.2
313.10736	5.3
321.11172	16.2
323.09317	4.7
326.11478	10.2
338.11227	2.8
339.12305	4.9
341.13861	20.8
353.13852	57.8
354.14261	4.3
371.10022	4.0
371.14850	83.5
372.15076	4.1
471.03058	2.6
551.46613	2.2
551.83783	2.5
586.24335	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80107	1.0
51.20085	0.9
53.03935	1.4
55.01864	2.4
55.05495	2.0
56.58360	0.9
57.03415	1.8
57.46008	0.8
65.03931	4.9
65.41399	0.9
67.05508	2.2
68.33971	0.8
69.03421	3.1
69.07056	2.2
69.73269	0.9
71.04961	0.9
71.22071	1.0
79.05481	8.0
81.03415	3.6
81.07053	2.3
83.04967	1.7
85.02907	11.9
85.06525	1.8
86.41079	0.8
91.05480	7.6
91.73943	1.0
93.03376	1.5
93.07037	3.4
95.04955	4.1
95.08615	1.1
97.02882	3.4
97.06521	4.9
97.10152	1.5
99.04459	1.5
103.05463	5.0
105.03403	2.0
105.07024	6.9
107.04955	45.8
107.08598	2.5
109.02888	3.6
109.06523	2.2
111.00747	1.1
111.04430	2.2
113.02376	8.6
115.05449	3.6
117.07020	3.6
119.03514	1.1
119.08570	2.9
120.05704	1.7
121.02868	65.4
121.06500	2.9
121.10161	1.8
122.03188	21.9
123.04404	3.2
123.05249	1.0
123.08119	1.3
125.05986	1.6
125.09562	1.2
127.03911	4.2
131.04922	3.8
131.08589	6.7
133.06473	1.4
133.10088	1.3
135.04439	2.1
135.08060	13.0
137.02353	5.8
137.05974	13.1
138.02692	1.5
139.03914	1.8
139.07588	1.4
141.01909	1.0
141.05460	1.4
145.04950	2.7
145.06511	4.9
145.07457	1.1
147.04471	1.4
149.09639	2.5
151.03903	27.5
151.04919	1.2
151.07520	4.1
153.01840	6.6
153.05455	2.6
153.07004	1.2
154.02171	1.4
154.06204	3.0
155.03366	1.7
159.08061	16.5
161.05997	2.0
162.06750	1.6
163.03874	1.8
163.07532	22.2
165.01820	2.1
165.05447	2.7
165.09070	1.1
167.07051	22.7
167.08392	0.9
169.05002	4.9
170.05296	1.9
173.06007	2.2
175.07578	2.1
177.05536	1.0
177.09038	3.0
180.07832	5.4
181.08580	3.5
181.10057	1.5
187.05951	2.3
187.07552	1.5
188.08290	1.6
189.09064	2.0
191.06984	4.7
191.10655	6.9
193.04913	2.7
195.10164	100.0
196.10519	2.7
197.04460	1.8
201.05429	3.8
201.09073	1.7
203.10638	5.5
205.08601	11.4
209.09637	4.5
211.06029	9.5
213.05460	4.9
217.12196	1.5
219.06516	2.7
221.11630	6.3
221.57455	1.0
223.09676	2.0
225.07423	4.5
227.10670	4.5
227.12717	1.5
229.04921	3.3
230.05458	2.3
233.07994	1.5
235.13292	3.3
237.09186	1.8
239.07060	1.0
239.10583	2.2
241.12303	3.5
251.09070	8.7
253.12219	3.7
254.09171	1.4
255.10098	3.6
256.10834	2.1
257.04483	1.8
257.11774	4.4
258.04745	2.7
265.08466	4.2
265.10919	5.7
269.11761	9.5
271.13205	1.6
273.07544	2.6
279.10193	1.5
281.11502	1.6
283.11993	6.7
284.08548	1.0
285.11258	1.7
287.12704	1.9
297.11230	11.6
299.12668	1.2
301.10663	3.2
301.14166	2.0
303.04980	66.1
304.05313	72.8
305.05600	5.3
311.12799	2.6
315.04990	7.7
315.12189	5.0
325.10605	4.6
329.13824	14.0
339.12280	2.1
343.11737	13.6
357.13498	6.0
360.15140	1.1
361.16269	1.5
375.14261	2.7
389.15973	7.0
390.16287	1.4
569.19653	1.0
586.28888	3.5
587.30402	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	586.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01608	0.2
51.02378	0.4
53.03946	0.7
55.01870	0.4
55.05505	0.5
55.48747	0.2
57.03443	0.4
58.42115	0.2
67.05504	0.3
68.99782	0.2
69.03427	2.8
69.07054	0.3
71.04980	0.7
71.17783	0.3
73.02825	0.2
79.01845	2.6
79.05467	0.4
81.03415	6.2
81.07045	0.6
83.04974	0.5
85.02897	2.8
91.05486	0.4
93.07047	0.6
95.08617	0.4
97.02895	4.7
97.06477	0.3
98.58976	0.2
99.04448	0.8
105.03448	0.2
105.07017	0.9
107.01322	1.4
107.04958	0.2
107.08614	0.4
109.02180	0.4
109.02882	5.1
109.06540	0.3
109.10170	0.5
119.04905	0.2
119.08484	0.2
121.10140	0.4
125.02348	2.7
125.05954	0.3
127.03916	6.9
128.04240	0.3
133.10123	0.8
135.00824	0.4
137.05956	0.5
137.09578	0.4
143.03392	4.1
145.04930	1.3
145.10091	0.2
147.04430	0.3
149.13179	0.3
153.01825	100.0
153.02867	4.2
154.02150	2.2
163.07492	0.3
167.07062	0.4
167.14319	0.5
171.02881	13.9
181.08580	0.4
191.10751	0.2
195.10179	0.8
209.11754	0.9
209.15263	0.2
219.17520	0.3
237.04080	0.3
279.04950	0.4
297.06058	9.0
298.06363	0.8
315.07126	14.0
316.07376	0.4
415.74921	0.2
587.28180	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.1
55.01874	8.0
55.05513	3.2
57.03447	2.0
67.05502	6.2
67.05866	1.2
69.03434	9.7
69.07064	6.9
71.04996	6.2
71.31736	1.9
79.05490	9.5
81.03418	23.4
81.07058	17.0
83.04980	3.9
84.26195	1.3
85.02895	5.0
85.06544	4.9
91.05478	6.5
93.07050	28.6
95.04973	5.7
95.08622	7.4
97.02911	5.4
97.06527	12.9
99.04459	13.4
105.07038	22.9
107.04999	1.9
107.08598	43.6
109.02885	23.3
109.06525	11.5
109.10200	1.8
111.04448	2.9
111.08100	5.5
113.06031	3.3
117.07022	2.7
119.08605	5.6
121.02827	1.4
121.06490	14.8
121.10150	23.9
123.08069	6.8
127.03919	20.3
127.07571	2.4
131.04886	1.7
131.08557	2.5
133.06441	2.3
135.08044	5.1
135.11697	10.3
137.09587	2.0
139.11209	3.3
145.04988	1.8
145.10124	23.4
147.11722	3.9
149.09636	13.4
151.07507	8.5
153.01828	9.8
163.11185	63.9
164.11600	1.7
167.07056	2.1
167.10690	21.5
169.08612	66.3
173.09651	5.0
181.12196	13.4
185.11763	3.2
191.10675	30.0
209.11732	38.1
210.12054	1.7
227.12781	100.0
228.13158	6.1
255.12196	2.3
257.13895	1.5
269.13901	6.0
271.13467	2.1
289.14465	5.3
309.16876	2.3
317.13806	3.3
335.14828	7.6
353.15994	39.2
354.16269	2.4
371.17068	28.8
389.18048	8.1
421.98969	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.1
55.01874	8.0
55.05513	3.2
57.03447	2.0
67.05502	6.2
67.05866	1.2
69.03434	9.7
69.07064	6.9
71.04996	6.2
71.31736	1.9
79.05490	9.5
81.03418	23.4
81.07058	17.0
83.04980	3.9
84.26195	1.3
85.02895	5.0
85.06544	4.9
91.05478	6.5
93.07050	28.6
95.04973	5.7
95.08622	7.4
97.02911	5.4
97.06527	12.9
99.04459	13.4
105.07038	22.9
107.04999	1.9
107.08598	43.6
109.02885	23.3
109.06525	11.5
109.10200	1.8
111.04448	2.9
111.08100	5.5
113.06031	3.3
117.07022	2.7
119.08605	5.6
121.02827	1.4
121.06490	14.8
121.10150	23.9
123.08069	6.8
127.03919	20.3
127.07571	2.4
131.04886	1.7
131.08557	2.5
133.06441	2.3
135.08044	5.1
135.11697	10.3
137.09587	2.0
139.11209	3.3
145.04988	1.8
145.10124	23.4
147.11722	3.9
149.09636	13.4
151.07507	8.5
153.01828	9.8
163.11185	63.9
164.11600	1.7
167.07056	2.1
167.10690	21.5
169.08612	66.3
173.09651	5.0
181.12196	13.4
185.11763	3.2
191.10675	30.0
209.11732	38.1
210.12054	1.7
227.12781	100.0
228.13158	6.1
255.12196	2.3
257.13895	1.5
269.13901	6.0
271.13467	2.1
289.14465	5.3
309.16876	2.3
317.13806	3.3
335.14828	7.6
353.15994	39.2
354.16269	2.4
371.17068	28.8
389.18048	8.1
421.98969	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56778	1.9
53.03952	1.5
55.01870	7.4
55.02108	1.8
55.05512	2.0
56.87085	1.5
65.60615	1.5
67.05505	5.6
69.03428	12.2
69.07063	7.5
71.04988	5.2
71.34792	2.2
79.05500	9.6
81.03416	21.1
81.07061	14.6
83.04967	3.0
85.02917	4.1
85.06550	3.9
91.05482	7.2
93.07043	23.4
95.04962	2.4
95.08613	7.1
97.02874	3.7
97.06535	10.4
99.04424	10.0
103.98581	2.0
105.07034	18.7
107.04924	2.5
107.08592	33.0
108.08931	2.4
109.02892	17.9
109.06522	12.1
109.10130	2.4
111.08060	5.1
113.06007	3.7
119.08589	4.2
121.06519	12.5
121.10146	19.1
123.08064	5.2
127.03911	20.2
127.07529	1.8
131.08598	2.5
135.08070	2.6
135.11707	8.6
139.07617	2.0
145.10123	20.5
147.11737	4.2
149.05978	3.8
149.09618	11.5
151.07550	7.3
163.07507	1.8
163.11169	47.7
163.12444	3.2
164.11508	1.9
167.07045	3.2
167.10690	20.4
169.08604	61.4
170.08888	2.0
173.09602	4.1
181.04993	3.0
181.08597	2.3
181.12206	13.8
185.11766	3.7
191.10666	29.4
193.08652	1.8
209.08215	3.1
209.11731	31.9
223.00189	1.8
227.12772	100.0
228.13109	3.5
245.13724	2.0
269.13840	6.2
283.07214	1.9
289.14404	4.8
317.13998	2.4
335.14798	8.1
353.15967	36.3
354.16223	3.6
371.16986	29.0
372.17175	3.0
389.17972	5.8
430.31192	2.1
437.67139	1.7
464.92752	2.0
497.43567	1.8
515.20911	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	586.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60448	0.2
53.03941	0.4
55.01863	0.6
62.11632	0.3
69.03443	0.3
79.05482	2.7
85.02890	1.2
88.94901	0.2
91.05491	1.6
91.26763	0.3
93.07047	0.3
95.04948	1.3
97.02884	0.4
103.05467	3.1
103.66608	0.2
105.07030	3.5
107.04948	34.2
107.08575	0.6
108.05299	1.2
115.05453	2.1
117.06992	0.7
119.04947	0.3
120.05731	1.0
123.04426	0.6
124.05161	0.4
125.05944	0.5
131.04889	0.4
133.06490	0.6
135.04417	0.3
135.08046	9.4
136.08354	0.3
137.06050	0.3
145.04958	0.2
145.06477	0.3
145.07594	0.6
147.04375	0.6
151.03877	0.3
153.01817	0.5
154.06238	2.5
163.07533	16.2
164.07747	0.5
165.05382	0.7
167.07027	17.0
168.07362	0.7
180.07733	2.9
195.10155	100.0
196.10486	4.0
196.12125	0.4
213.11186	0.3
243.99194	0.2
271.78763	0.3
337.43896	0.3
358.26825	0.2
470.55060	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	0.3
51.56646	0.3
53.03941	0.8
55.01863	0.9
55.05519	0.3
61.90391	0.2
65.03940	0.5
66.97925	0.3
67.05503	0.3
69.03432	0.3
70.06937	0.3
74.12052	0.3
77.03914	0.5
79.05488	4.1
81.03413	0.6
85.02909	0.5
90.48844	0.3
91.05473	3.6
91.87103	0.3
93.07056	0.5
95.04959	1.9
103.05466	3.9
105.04498	0.3
105.07023	6.2
105.74479	0.3
107.04951	38.2
107.08591	3.2
108.05245	0.8
115.05443	3.3
117.07036	2.0
119.04957	0.5
120.05736	1.3
121.02862	1.1
121.06499	3.0
123.04430	0.6
124.05196	1.1
125.05976	0.9
131.04924	0.7
131.08563	0.6
133.02936	0.4
133.06487	0.6
135.08051	20.8
136.08359	0.9
137.05986	0.7
139.03874	0.5
145.07625	0.7
147.04396	0.6
148.05153	0.4
149.06018	0.3
149.09639	0.3
151.03883	0.5
151.07536	0.3
152.04691	0.5
153.01787	0.6
154.06232	3.4
155.06854	0.3
163.07538	25.1
164.07930	1.0
165.05396	0.6
167.07033	19.4
168.07385	0.4
180.07823	3.9
181.08592	3.8
187.07503	0.3
195.10158	100.0
196.10510	4.5
199.09662	0.5
209.11696	0.7
213.11174	0.8
227.12732	0.3
325.12686	0.5
343.13846	1.8
452.89835	0.3
553.11487	0.3
586.28894	0.8
587.20709	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02369	1.6
57.03426	2.3
61.02932	1.5
65.03918	3.0
69.03429	2.8
69.07040	3.0
71.32669	2.5
79.05487	3.7
81.03408	2.4
81.07053	4.9
85.02895	4.6
85.69553	1.5
91.05481	4.9
93.07030	1.5
95.04984	2.9
97.02888	4.6
99.08088	77.9
105.03397	2.6
105.07017	3.3
107.04956	13.8
109.02864	2.3
109.10176	1.6
110.03638	1.9
115.05457	1.9
117.07043	2.3
121.02865	2.8
121.06504	2.8
123.04436	3.6
124.05254	2.1
125.06010	2.9
127.03914	2.4
128.06213	1.9
131.08507	2.4
133.06480	5.9
135.04459	3.5
135.08054	5.4
137.05968	6.9
140.04674	1.7
143.08566	6.2
145.04922	1.6
145.10081	1.8
146.40955	1.6
147.04347	1.9
149.05930	2.0
151.03888	6.5
153.01831	6.6
153.05466	7.8
154.05910	1.9
156.35718	1.5
159.08096	2.5
161.09656	2.0
163.03944	3.8
163.07550	3.8
165.05498	2.0
167.07031	100.0
168.07410	4.2
171.08064	6.0
175.07530	2.7
175.11235	2.4
177.05408	2.8
178.06239	2.6
181.04930	3.1
181.08592	5.7
182.05017	1.4
185.08104	2.3
187.07623	1.7
195.06517	4.2
195.10205	6.6
201.09085	2.3
202.09390	2.3
203.10651	7.5
205.08684	2.8
207.10223	3.0
211.09714	2.3
223.06128	1.8
223.13286	3.9
233.11670	2.5
234.12112	1.8
235.13275	51.3
236.13593	1.9
251.12833	1.7
253.14426	17.0
277.03342	1.9
286.44669	1.6
303.20090	1.6
304.06326	1.5
357.13498	2.4
358.13647	5.7
359.14859	2.0
360.15134	3.5
372.15207	1.8
402.01126	1.8
453.54126	2.1
587.20667	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	586.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55778	0.5
52.97913	0.5
53.03943	1.6
55.01866	0.8
55.05490	1.0
57.03436	0.8
66.88580	0.5
67.05500	1.2
69.03425	2.8
69.07041	1.3
69.18340	4.2
69.18749	1.2
71.04981	1.9
79.01851	2.5
79.05492	1.5
79.53446	0.7
81.03426	5.7
81.07044	1.9
83.04964	1.4
85.02908	3.1
85.06528	0.7
91.05486	2.0
93.07018	2.4
95.04971	3.2
95.08601	2.2
97.02871	4.2
97.06532	1.2
99.04462	1.1
101.32747	0.6
105.07011	3.8
107.01307	1.4
107.04962	1.0
107.08577	2.3
109.02882	5.6
109.06472	1.2
109.10185	1.0
117.07029	0.7
119.08579	1.8
121.06463	0.7
121.10156	1.9
123.00819	0.6
125.02351	2.7
125.05976	0.9
125.09646	0.9
127.03900	8.9
133.10094	3.5
135.08087	0.8
137.06017	1.0
143.03384	4.1
143.07014	1.2
143.10675	1.5
145.04980	1.9
145.10118	2.2
147.08029	0.7
147.11690	0.9
153.01826	100.0
153.02866	4.0
154.02179	2.2
159.11685	1.3
163.04018	0.6
163.07536	0.7
163.11176	1.6
167.14288	2.9
171.01454	1.3
171.02882	12.5
181.08586	1.4
187.11185	1.2
191.10742	1.2
194.09314	0.7
205.12288	0.8
209.11743	4.9
219.17429	1.3
233.11717	1.3
251.12758	1.2
269.13873	1.5
297.06070	8.0
315.07144	13.5
316.07529	0.8
330.26535	0.7
377.16086	1.2
395.17068	2.0
413.18176	0.9
496.54202	0.6
587.29865	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	0.3
51.56646	0.3
53.03941	0.8
55.01863	0.9
55.05519	0.3
61.90391	0.2
65.03940	0.5
66.97925	0.3
67.05503	0.3
69.03432	0.3
70.06937	0.3
74.12052	0.3
77.03914	0.5
79.05488	4.1
81.03413	0.6
85.02909	0.5
90.48844	0.3
91.05473	3.6
91.87103	0.3
93.07056	0.5
95.04959	1.9
103.05466	3.9
105.04498	0.3
105.07023	6.2
105.74479	0.3
107.04951	38.2
107.08591	3.2
108.05245	0.8
115.05443	3.3
117.07036	2.0
119.04957	0.5
120.05736	1.3
121.02862	1.1
121.06499	3.0
123.04430	0.6
124.05196	1.1
125.05976	0.9
131.04924	0.7
131.08563	0.6
133.02936	0.4
133.06487	0.6
135.08051	20.8
136.08359	0.9
137.05986	0.7
139.03874	0.5
145.07625	0.7
147.04396	0.6
148.05153	0.4
149.06018	0.3
149.09639	0.3
151.03883	0.5
151.07536	0.3
152.04691	0.5
153.01787	0.6
154.06232	3.4
155.06854	0.3
163.07538	25.1
164.07930	1.0
165.05396	0.6
167.07033	19.4
168.07385	0.4
180.07823	3.9
181.08592	3.8
187.07503	0.3
195.10158	100.0
196.10510	4.5
199.09662	0.5
209.11696	0.7
213.11174	0.8
227.12732	0.3
325.12686	0.5
343.13846	1.8
452.89835	0.3
553.11487	0.3
586.28894	0.8
587.20709	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02369	1.6
57.03426	2.3
61.02932	1.5
65.03918	3.0
69.03429	2.8
69.07040	3.0
71.32669	2.5
79.05487	3.7
81.03408	2.4
81.07053	4.9
85.02895	4.6
85.69553	1.5
91.05481	4.9
93.07030	1.5
95.04984	2.9
97.02888	4.6
99.08088	77.9
105.03397	2.6
105.07017	3.3
107.04956	13.8
109.02864	2.3
109.10176	1.6
110.03638	1.9
115.05457	1.9
117.07043	2.3
121.02865	2.8
121.06504	2.8
123.04436	3.6
124.05254	2.1
125.06010	2.9
127.03914	2.4
128.06213	1.9
131.08507	2.4
133.06480	5.9
135.04459	3.5
135.08054	5.4
137.05968	6.9
140.04674	1.7
143.08566	6.2
145.04922	1.6
145.10081	1.8
146.40955	1.6
147.04347	1.9
149.05930	2.0
151.03888	6.5
153.01831	6.6
153.05466	7.8
154.05910	1.9
156.35718	1.5
159.08096	2.5
161.09656	2.0
163.03944	3.8
163.07550	3.8
165.05498	2.0
167.07031	100.0
168.07410	4.2
171.08064	6.0
175.07530	2.7
175.11235	2.4
177.05408	2.8
178.06239	2.6
181.04930	3.1
181.08592	5.7
182.05017	1.4
185.08104	2.3
187.07623	1.7
195.06517	4.2
195.10205	6.6
201.09085	2.3
202.09390	2.3
203.10651	7.5
205.08684	2.8
207.10223	3.0
211.09714	2.3
223.06128	1.8
223.13286	3.9
233.11670	2.5
234.12112	1.8
235.13275	51.3
236.13593	1.9
251.12833	1.7
253.14426	17.0
277.03342	1.9
286.44669	1.6
303.20090	1.6
304.06326	1.5
357.13498	2.4
358.13647	5.7
359.14859	2.0
360.15134	3.5
372.15207	1.8
402.01126	1.8
453.54126	2.1
587.20667	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	586.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.5
55.05511	2.9
62.71179	2.1
62.75121	2.3
63.85109	2.1
67.05485	6.0
69.07085	2.7
71.33604	3.4
72.08282	2.8
78.04700	3.4
79.05484	10.5
81.07060	7.1
83.08597	2.8
84.44320	2.1
87.78568	2.5
91.05473	4.4
93.07043	5.9
95.05019	2.1
95.08611	9.3
103.05471	2.9
105.07022	20.5
107.04958	12.6
107.08588	3.2
109.10151	3.2
119.08576	6.8
121.10175	4.5
123.04411	3.5
133.06465	16.7
133.10121	5.5
135.08058	8.3
135.11703	4.5
143.08539	3.4
147.04436	4.8
149.05949	6.6
159.11658	3.4
161.05983	10.6
163.03914	10.1
163.07564	9.8
165.09174	2.7
167.07030	78.2
191.06999	2.9
192.07793	17.3
193.08598	100.0
194.08960	4.6
195.10129	12.7
196.10558	3.1
221.11665	14.0
289.98672	2.3
329.77686	2.4
341.10300	4.7
347.74243	2.3
362.75412	2.4
406.31879	4.5
536.31525	2.7
586.35065	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.301
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11340	2.2
55.01868	2.7
55.05500	7.8
65.03935	8.6
67.05508	17.7
69.03428	3.1
69.07052	7.0
70.06561	2.2
71.04992	3.5
71.31723	4.0
79.05498	21.2
81.03402	4.0
81.07059	14.7
83.04977	5.7
83.08596	3.8
85.06522	6.4
91.05475	27.1
93.03399	4.4
93.07028	14.2
95.04962	9.1
95.08606	18.7
97.06484	5.0
103.05460	5.4
105.07027	16.2
107.04951	50.4
107.08576	8.4
109.06518	6.8
109.10157	9.5
111.04426	3.3
115.05437	5.0
116.06300	2.6
117.07006	6.0
119.04946	6.2
119.08598	8.6
121.02884	4.1
121.06527	4.6
121.10145	8.9
123.04397	2.4
123.08062	5.1
125.06005	9.9
125.09663	3.6
128.06221	3.7
129.07001	2.8
131.04906	3.2
131.08554	26.3
133.10094	3.8
135.04391	7.7
135.08058	7.9
135.11729	4.1
137.05971	32.1
139.11163	3.6
141.06932	3.2
143.08553	6.8
145.06439	4.1
145.10088	5.0
147.04417	12.8
148.04768	2.4
149.05963	6.1
149.09628	3.9
151.03909	7.9
151.07552	21.9
152.07864	2.7
153.05473	15.9
155.08531	2.5
157.10161	3.6
159.08058	34.9
161.06009	2.9
163.03960	3.7
163.07549	46.4
165.06976	5.0
165.09116	5.5
167.07097	15.1
169.06465	6.5
171.07999	3.7
173.09615	4.8
177.05429	4.8
177.09109	5.8
181.06514	3.7
181.08524	5.4
185.13196	3.6
188.08348	9.0
189.05513	4.6
189.09079	3.3
191.10686	15.0
193.08586	9.1
193.10152	4.6
195.06500	8.4
195.08080	6.2
197.05968	3.0
197.09660	11.2
201.09102	6.9
203.09068	3.4
203.10635	17.0
205.08669	3.8
209.08046	5.2
210.06787	4.0
211.07520	6.4
212.08322	2.4
214.06212	5.1
217.08566	4.4
219.10144	48.7
221.09541	6.5
221.11627	3.4
223.07570	3.5
225.05493	3.2
225.09184	13.4
226.09688	3.4
227.10602	2.9
228.23178	3.5
229.08649	9.4
231.10202	13.7
232.10950	4.3
233.11804	4.6
235.17030	3.2
238.09914	3.5
239.06851	3.4
239.10544	6.9
240.07791	6.6
241.08597	8.5
242.05725	7.0
249.08969	3.2
251.07053	3.2
253.12227	9.5
255.10210	7.9
257.08057	8.7
257.11517	12.0
263.10617	6.0
267.10040	3.5
279.23193	3.7
280.23447	3.2
281.11621	7.0
282.12589	4.1
283.09583	4.1
285.07660	17.3
285.10345	3.0
291.10159	4.2
295.09436	2.6
295.13306	5.7
298.11972	2.8
299.09055	9.5
300.10010	5.0
309.11218	5.4
313.14276	79.1
314.14609	7.4
315.12247	34.5
323.12662	6.7
341.09723	5.2
341.13821	100.0
342.14102	8.8
355.15237	13.3
373.16577	4.1
586.34082	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	586.4518
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	4.2
57.07069	34.6
67.05482	2.5
69.07069	2.8
70.40665	0.9
70.40992	2.1
70.48497	1.0
71.08626	27.8
73.06537	7.7
79.05475	0.9
81.07053	4.2
83.08607	3.7
85.06533	0.9
85.10175	20.2
87.04453	7.5
89.06023	100.0
90.06348	1.0
91.05453	2.2
92.97411	0.9
93.07037	2.2
95.08609	2.5
97.10178	5.2
97.60159	1.0
97.87646	1.0
99.11732	4.3
105.07006	2.1
107.07048	4.4
107.08570	4.0
109.10160	2.0
111.11710	1.3
113.13245	1.6
113.93401	0.9
117.09112	6.9
119.08586	1.9
121.10106	2.3
130.08615	1.9
131.07039	2.0
131.08583	1.1
133.08592	53.6
135.10138	1.4
135.11696	1.2
145.02843	1.2
147.04468	1.2
149.13208	1.1
155.17909	6.2
155.41956	0.9
159.11713	1.6
161.11729	1.2
161.13278	1.1
163.03911	4.3
164.04253	1.5
171.11617	1.0
173.13243	1.4
177.11203	21.0
189.16502	1.2
199.20561	4.1
221.13786	2.8
243.23190	7.9
269.22324	1.0
276.30417	1.1
287.25845	5.1
301.43637	1.0
327.20303	1.6
371.22705	1.0
406.35419	1.6
407.32959	1.2
415.25177	1.8
569.42340	5.5
575.52240	1.1
586.32751	2.9
586.43732	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
55.01858	0.9
58.30217	0.5
65.03943	4.2
67.05492	2.0
69.03416	2.2
69.71987	2.6
74.10203	0.5
78.02402	0.5
81.03416	4.1
82.04197	2.7
85.02916	4.6
93.03387	1.2
95.04945	2.2
97.02890	1.5
97.06525	1.6
99.04462	0.6
105.07021	0.5
107.04957	3.1
108.02078	1.1
109.02894	1.2
110.03664	2.2
111.04431	1.2
121.02840	4.3
123.04436	2.7
125.05980	2.0
127.03896	0.8
135.04408	2.8
136.05205	0.8
137.05946	1.5
138.03108	1.2
139.03937	1.0
140.04684	5.7
142.02597	2.8
142.23691	0.5
143.03247	0.6
147.04347	0.7
151.03917	0.9
151.36816	0.5
153.01843	3.5
153.05440	2.3
155.07028	2.1
161.05984	0.9
165.05374	0.8
167.07048	1.6
171.06569	2.9
181.04942	100.0
182.05315	2.8
191.06934	0.5
195.09981	0.6
199.05966	5.2
199.07472	0.6
211.88887	0.5
245.08076	3.9
255.06590	0.6
269.08215	0.6
277.56946	0.5
287.09311	0.6
293.17175	1.2
313.09216	0.5
318.94815	0.5
325.09277	3.7
343.10278	1.2
483.51114	0.6
587.26678	2.2
593.07874	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19137	0.3
53.03930	0.8
55.01857	0.7
55.55788	0.2
61.01273	0.3
65.03937	1.0
67.05481	0.6
70.06556	0.2
70.64687	0.4
70.65009	0.5
71.01380	0.3
75.04473	0.8
78.04699	2.4
79.05463	1.4
81.03417	0.4
81.07052	0.5
85.02896	0.5
89.03883	0.3
91.05473	3.8
93.03404	1.9
93.07036	1.2
95.04961	1.2
97.06522	0.5
103.05464	1.5
105.03355	0.3
105.04510	0.5
105.07024	0.9
106.04167	5.2
107.04957	2.9
107.08595	0.4
108.02081	0.3
109.06509	0.5
111.04478	0.4
111.70282	0.2
115.05478	0.4
117.03493	0.2
117.06984	0.3
118.04107	0.4
119.04925	2.3
121.02818	0.3
121.06506	6.4
122.03646	0.6
123.04419	5.0
123.08082	0.5
124.05209	1.9
125.06029	1.8
129.07002	0.3
130.57951	0.2
131.04921	1.9
133.06464	0.8
134.03615	1.2
135.04459	0.7
135.08018	0.6
136.05257	0.4
137.05966	10.1
137.07002	0.6
139.07545	0.7
146.07079	0.4
147.04468	0.4
147.71501	0.3
148.05167	0.6
149.05965	7.4
150.03067	0.3
151.03914	5.9
151.04999	0.6
151.07523	4.9
152.04645	1.4
153.01762	0.5
153.05415	0.8
153.09099	1.6
161.05966	4.2
161.09625	0.9
163.03801	0.3
163.07533	2.8
165.05492	1.0
165.09071	0.4
167.07024	100.0
168.07413	2.7
174.06754	0.3
177.05470	4.5
179.07040	1.3
181.08582	13.9
182.09042	0.5
189.09079	1.0
191.07054	0.7
193.08569	3.4
195.06503	1.3
195.10106	1.3
196.10461	1.0
207.10077	0.8
209.08073	12.3
210.08426	0.5
211.09634	10.7
212.10034	0.3
329.13358	0.4
355.11563	0.3
359.15091	0.5
360.15070	0.5
361.15564	0.3
529.79004	0.3
587.20715	1.4
587.29150	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.4312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	10.7
55.01881	13.0
55.05515	31.4
57.07078	16.8
64.00033	3.9
65.03945	4.6
67.05512	71.2
68.05862	3.8
69.07087	28.4
70.82566	10.9
71.04995	7.6
71.08635	26.2
79.05502	73.9
81.03434	9.8
81.07064	100.0
82.07407	4.8
83.04988	12.1
83.08635	23.6
85.06557	4.9
85.10192	5.1
90.07134	4.0
91.05483	55.9
93.07049	72.0
95.04989	16.1
95.08623	59.7
97.06547	19.9
97.10178	10.2
97.60983	3.9
99.08100	14.9
105.07031	62.9
107.04951	18.3
107.08609	39.0
109.06518	20.9
109.10199	21.1
111.08115	10.0
113.09651	6.8
115.05423	4.2
117.07042	16.1
119.08585	36.8
120.08920	4.7
121.06543	8.6
121.10164	36.6
123.08102	10.9
123.11755	6.4
129.06961	7.1
131.08551	22.3
133.10152	33.4
135.08096	5.3
135.11702	38.7
137.09653	10.1
143.08549	6.5
145.10170	18.0
146.10501	5.5
147.10637	4.2
147.11661	21.3
149.09621	11.7
149.13304	15.6
151.11218	14.4
157.10149	6.0
159.11765	13.9
161.13350	11.9
163.11270	8.9
163.14842	6.8
163.68369	4.6
165.12779	5.2
169.10193	4.7
171.11658	4.5
173.13240	6.3
175.14893	3.8
177.12787	7.1
179.14319	87.4
180.14606	3.8
187.11349	5.2
193.12209	7.7
235.13263	4.5
239.17928	6.2
247.20534	6.3
257.19104	9.0
259.20572	5.5
275.20071	87.6
276.20337	4.4
277.21649	60.5
293.21103	13.3
295.22620	5.8
313.27444	5.4
319.15521	5.7
333.16940	6.7
569.30890	10.8
587.39240	7.5
587.46997	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	587.4665
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63767	1.2
53.03944	3.6
55.01866	2.5
55.05507	33.9
57.03431	7.7
57.07070	10.6
65.03944	3.0
67.05499	70.1
69.07063	31.8
69.13239	3.5
69.13658	7.0
71.04990	2.6
71.08627	4.4
79.05488	42.1
81.07052	77.7
82.07389	1.2
83.04965	2.3
83.08611	20.9
85.06552	3.4
85.10166	2.2
91.05476	37.8
93.07038	58.1
95.04960	4.8
95.08601	61.4
95.14630	1.3
95.49105	1.1
96.08944	2.1
97.06535	5.1
97.10159	9.3
99.08072	4.0
105.04520	1.4
105.07027	40.5
107.07437	1.4
107.08587	32.3
107.09306	1.6
109.06528	2.5
109.10154	28.7
111.08080	3.3
111.11705	2.5
111.32491	1.3
113.09630	2.3
115.05421	1.4
116.72651	1.1
117.07011	10.8
119.08576	37.2
121.10139	28.5
121.10974	2.4
123.08054	2.6
123.11694	12.5
125.09612	3.0
128.06186	1.7
129.05521	1.3
129.07005	5.8
131.08551	24.6
133.10118	35.9
133.11134	1.9
135.08105	1.8
135.11676	20.4
136.12094	1.2
137.09666	1.5
137.13252	7.4
139.11192	3.0
143.08574	5.6
145.10107	18.5
147.11679	23.7
149.09615	3.2
149.13249	13.2
151.14928	2.4
155.08524	2.3
157.10077	9.1
159.11690	18.0
161.13257	11.9
163.11172	1.9
163.14856	6.0
163.85988	1.2
169.10115	3.5
170.87822	1.2
171.11702	9.1
173.13254	10.6
175.14764	7.7
177.16402	3.9
183.11673	3.6
185.13261	5.1
187.14778	6.5
189.16417	5.2
191.17947	3.0
193.19637	1.4
197.13258	2.1
199.14801	3.0
201.16388	3.7
203.17952	5.0
205.19562	3.2
211.14789	1.5
213.14696	1.3
213.16415	6.7
214.34694	1.2
215.17952	7.2
217.16034	1.6
217.19537	4.4
219.17412	2.3
219.21104	2.5
225.16360	2.0
227.18044	2.3
229.19601	1.3
231.17311	5.8
231.21136	3.2
233.19031	9.9
233.22487	2.4
241.19597	2.7
243.21080	2.4
245.22557	2.5
257.22711	1.6
259.20593	3.0
261.22147	7.9
271.20560	1.8
275.20209	2.2
275.23694	1.4
287.23669	1.7
301.25235	1.5
307.22739	5.2
309.24185	9.7
311.25970	3.4
329.28690	1.9
335.25620	6.4
337.27399	9.2
339.28995	2.6
356.18701	1.3
361.81570	1.6
372.18381	1.3
383.33093	2.0
475.38184	1.8
477.41098	2.8
495.41959	10.7
513.43073	4.9
517.38647	2.0
569.45697	18.5
570.45740	2.7
587.46619	100.0
588.46930	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	587.4881
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.0
53.74207	1.5
54.76419	1.9
55.01865	5.1
55.05510	47.2
55.12042	1.5
57.03433	3.6
57.07069	13.1
59.05016	2.4
59.33103	1.5
60.23261	1.6
65.03932	5.2
67.05504	89.7
68.05830	2.9
69.03431	4.4
69.07064	49.7
71.04995	10.3
71.08624	4.7
79.05491	42.6
80.05758	1.8
81.07055	100.0
82.07381	2.2
83.04967	7.5
83.08622	28.6
85.06532	8.1
85.10182	5.2
88.35407	1.6
88.69628	1.8
91.05489	23.3
93.07042	51.7
94.07370	1.6
95.04935	8.2
95.08606	90.9
96.08932	1.8
97.06543	12.0
97.10162	27.0
98.22597	3.7
99.08090	9.7
105.04472	2.0
105.07019	18.3
107.04956	1.8
107.08591	41.2
108.08912	2.5
109.06522	8.3
109.10154	52.8
111.08092	6.2
111.11674	2.7
113.05995	2.5
113.09645	6.7
117.07004	6.1
119.08611	14.8
121.06467	5.0
121.10140	38.3
123.08065	34.6
123.11710	19.8
125.09640	14.6
127.07541	5.1
131.08572	13.1
133.10159	14.8
135.04387	2.4
135.08029	5.0
135.11691	26.7
137.09590	5.2
137.13249	9.8
139.11162	7.6
143.08546	2.7
143.10666	2.7
145.10104	11.2
146.10527	1.8
147.11697	12.1
149.09587	4.2
149.13220	13.2
151.07549	1.7
151.11137	6.1
153.09108	4.7
153.12781	3.5
159.11691	8.1
161.13202	8.8
163.11168	2.8
163.14801	6.9
165.12761	3.8
170.36131	1.9
173.11813	3.5
173.13268	7.1
175.14804	2.8
177.12793	2.5
179.14325	3.6
181.12331	2.1
187.14824	4.6
189.09581	2.6
189.11189	16.3
191.07071	2.8
193.08566	2.2
193.12206	2.1
205.08560	2.9
208.12515	1.9
209.15361	3.7
211.09584	3.2
219.21109	4.9
221.11662	2.1
229.45773	1.7
235.13264	2.6
237.14874	2.1
237.22113	11.6
242.63960	1.7
243.21063	10.5
245.11659	3.1
255.23305	2.4
261.22125	28.4
263.12781	6.4
275.20181	3.6
279.23184	84.7
280.23550	6.3
297.24228	31.9
298.24506	2.0
315.15906	2.6
333.16913	8.0
351.18063	3.5
387.21286	3.4
405.22678	2.2
413.30273	3.3
421.32846	3.4
431.31396	8.7
439.34161	2.7
449.32336	2.3
473.99557	2.0
497.43237	5.1
515.44580	13.7
533.45953	8.6
551.46301	2.7
569.30939	11.3
587.32275	13.2
587.42511	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	588.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03942	1.4
69.03432	1.3
69.10012	3.6
69.10439	2.7
81.03413	3.8
85.02913	1.2
91.05508	0.8
93.03405	1.6
95.04949	0.9
99.04443	1.1
104.42878	0.7
108.02090	1.3
109.02883	2.2
110.03668	2.8
111.04446	2.1
121.02870	1.5
123.04443	1.1
125.05976	7.6
127.03876	1.3
139.03891	2.3
141.05453	1.6
151.03909	100.0
151.04999	7.5
152.04263	2.7
153.01816	2.1
153.05460	10.3
154.06287	4.0
167.07002	7.1
169.04973	2.8
181.04913	1.0
181.08649	1.3
185.08084	19.5
203.98956	0.7
211.09747	1.2
225.07571	66.3
226.07935	2.5
243.08662	2.0
257.64517	0.7
275.09164	1.0
281.46396	0.7
369.11600	4.6
375.73944	0.7
387.12833	6.1
485.55017	0.8
498.33832	0.8
522.36157	0.8
554.27209	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.0
55.01863	9.3
56.96587	6.5
59.40752	5.7
60.91022	5.5
62.40444	5.8
63.68358	5.2
66.41605	5.3
67.62089	5.3
79.05488	5.5
81.03407	14.9
83.04974	6.7
83.65718	5.7
85.02888	16.1
91.05494	9.7
95.04936	7.2
97.02860	8.6
98.22566	19.3
103.05437	11.7
105.07045	14.3
107.04958	66.5
119.04869	8.7
121.06510	10.1
123.04434	8.1
131.04990	7.4
133.02870	8.3
133.06496	17.7
135.08046	22.3
137.05994	25.6
147.04346	14.9
149.06027	10.8
151.03912	9.1
151.07541	13.0
161.05974	22.0
163.07535	72.9
167.07050	100.0
179.07069	27.3
181.08557	27.2
193.08609	29.7
195.10170	55.9
207.10178	10.9
211.09671	50.2
213.11272	35.6
225.11227	10.1
281.78000	6.3
321.13351	8.5
370.99713	5.6
388.04150	5.9
418.09311	6.0
575.60077	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	588.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.4
55.01857	2.2
64.01365	1.9
64.46172	1.9
69.03445	3.8
71.30775	2.4
71.31143	2.7
77.34679	1.7
78.04708	2.1
79.05492	4.1
81.03439	3.0
85.02902	8.4
91.05482	10.6
93.07053	3.6
95.04945	3.6
97.34605	2.0
103.05459	10.8
105.07027	6.1
106.04169	6.4
107.04964	19.6
115.05466	2.0
119.04926	2.3
121.02869	5.8
121.06512	11.0
123.04432	5.7
127.03938	3.2
129.06996	6.4
131.04933	10.3
132.05728	2.8
133.06511	4.0
135.08025	3.6
137.05966	8.0
139.03963	2.7
148.05157	6.3
149.05952	13.3
151.07529	5.4
153.05435	2.7
153.09161	3.8
157.06526	3.4
161.05975	84.8
161.09624	21.4
162.06343	3.0
163.07541	23.3
165.05502	3.4
167.07054	32.2
174.06781	5.0
175.07524	7.5
176.04723	2.2
177.05489	7.6
177.09108	2.9
179.06989	3.2
180.07787	4.1
181.08586	17.6
189.09093	55.5
190.09483	3.4
191.07063	12.9
192.07802	7.1
193.08623	5.1
207.10153	100.0
208.10567	5.2
209.08083	20.3
219.10165	4.3
283.09668	2.3
285.11234	3.6
315.12329	2.5
317.13794	6.4
318.13950	2.1
326.15762	3.4
343.15305	12.2
360.87497	2.2
361.12335	3.9
361.16473	47.3
362.16904	2.6
373.16403	7.8
461.39340	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98597	0.7
55.01860	1.0
69.03402	1.1
71.04948	0.8
79.05484	5.5
81.07052	0.9
85.02911	1.5
86.88104	0.7
91.05466	5.4
93.58978	0.7
95.04941	0.9
97.06469	0.8
98.22564	1.3
103.05481	5.7
103.63894	0.7
105.03423	0.9
105.07027	16.5
107.04929	2.3
109.06548	1.2
115.05437	0.8
118.04178	3.8
119.04952	4.8
120.05730	1.2
121.02840	1.0
121.06471	1.5
122.07269	1.1
123.04392	2.0
123.08090	1.6
124.05202	1.8
124.85888	0.8
131.04901	8.4
133.02852	4.8
133.05510	1.3
133.06483	18.3
135.04425	1.6
135.07986	4.0
137.05963	9.4
146.03629	1.3
147.04399	5.0
148.05145	1.4
149.05949	3.3
150.06758	12.6
151.07523	5.9
153.01808	8.7
153.05479	0.8
161.05945	3.4
163.07533	10.7
165.05463	1.7
165.09116	13.1
167.07014	9.2
167.08333	1.1
168.50122	0.7
177.05450	0.9
178.06262	1.1
179.07040	5.3
181.04956	2.4
193.08591	58.7
194.08925	1.9
195.10228	1.7
211.09641	100.0
212.09956	4.2
213.11201	1.0
219.10165	0.9
227.05392	3.5
278.07846	0.7
314.90295	0.7
361.16367	1.9
455.54794	0.7
543.45886	0.8
589.21167	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18661	0.6
55.01873	1.1
61.02925	1.8
68.77296	0.6
69.03430	1.2
69.07085	0.6
70.43228	1.7
72.48504	0.5
79.05508	1.5
81.03411	0.9
85.02910	6.4
91.05485	1.9
93.07059	1.0
95.04989	1.2
97.02878	1.8
99.04449	0.8
103.05471	1.5
105.07029	1.3
106.04158	0.9
107.04969	4.6
109.02875	0.8
109.06533	0.7
110.03657	3.8
115.05481	0.9
117.06991	1.6
118.11678	0.6
119.04946	0.9
121.06527	3.8
123.04448	0.9
125.05978	1.6
127.03909	1.9
131.04959	1.4
133.06494	1.9
135.04395	2.8
135.08043	1.3
137.05997	2.8
138.03130	8.0
139.07573	0.8
145.04953	1.5
145.06456	0.8
146.07249	4.9
147.04404	1.1
147.08069	1.7
149.05974	4.0
151.07547	5.4
153.05475	100.0
153.30104	0.6
154.05812	2.0
161.05994	2.2
162.06729	2.5
163.03891	2.3
163.06131	1.1
163.07513	5.6
165.05511	2.5
165.09122	2.2
167.06998	2.7
169.04982	2.2
176.04680	0.7
177.05472	8.0
177.09094	5.9
178.05911	0.5
178.09898	18.1
179.07043	7.5
179.10469	1.8
179.35333	0.5
180.07376	1.0
191.07048	14.0
193.08640	2.6
195.06548	6.4
195.10179	0.6
195.28000	0.5
203.07024	0.7
213.07582	4.5
221.08112	2.0
235.09686	1.9
263.16397	1.5
329.13855	12.1
330.14536	0.6
343.15417	1.8
355.15439	14.4
356.15536	1.2
373.16489	3.2
391.17517	11.6
392.17752	0.9
589.22760	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	2.4
61.02919	9.7
62.12786	2.2
78.04694	2.1
79.05498	5.6
81.03393	3.7
81.21604	2.2
85.02925	3.4
91.05469	5.1
95.04957	5.1
97.02923	2.6
99.04462	2.6
103.05476	4.2
105.07029	12.2
107.04983	3.5
107.24006	2.3
118.04172	6.6
119.04969	3.5
121.02830	2.7
121.06503	3.0
122.07304	2.8
123.04440	5.2
127.03910	3.6
131.04955	8.1
133.06514	17.9
135.04378	3.2
135.08075	3.1
137.05968	9.7
147.04404	5.6
149.05956	6.5
150.06769	9.6
151.07523	4.7
153.01823	8.3
158.78079	2.5
161.05986	4.7
163.07558	5.9
165.09142	7.8
167.07048	100.0
168.07445	2.7
169.08516	3.2
179.07051	5.8
193.08589	42.2
209.08118	5.2
211.09660	77.9
212.09888	4.7
227.09151	30.9
227.12769	3.9
229.47469	2.8
243.18648	2.9
333.51141	3.5
404.10333	2.5
456.98245	2.4
464.47723	2.6
614.09650	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.2
51.02359	0.6
53.03940	0.8
55.01860	0.2
57.03435	0.2
57.06847	0.1
57.07073	1.1
61.00112	0.1
61.02916	0.1
61.84213	0.1
62.69485	0.1
67.05494	0.6
69.03427	2.5
69.11723	1.2
69.12051	0.2
71.04990	0.4
76.52532	0.1
79.01853	2.8
81.03418	5.6
81.07054	0.4
82.76173	0.1
85.02904	2.8
85.06525	0.7
95.08636	0.2
97.02891	4.2
99.04449	0.8
102.79755	0.1
107.01324	1.8
107.04887	0.1
109.02873	4.4
109.10152	1.4
122.61335	0.1
123.00762	0.2
125.02348	3.0
125.05959	0.2
127.03915	6.3
135.00674	0.2
137.09618	0.3
143.03406	4.6
145.04955	1.3
153.01825	100.0
153.02858	4.1
154.02164	2.5
155.10635	1.6
167.07024	0.2
171.02882	12.5
172.03206	0.3
209.08105	0.2
211.09607	0.3
237.03876	0.3
239.08118	0.1
239.16443	0.5
245.23772	0.1
261.03925	0.1
279.05005	0.5
297.06033	6.3
298.06403	0.3
315.07092	13.5
316.07379	0.9
541.59338	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	588.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01723	3.3
53.03951	3.8
55.01864	5.4
55.95239	3.3
57.64307	3.3
61.02915	3.9
62.77879	3.5
67.05502	4.1
68.72105	3.9
70.47716	9.7
79.05481	5.7
81.03419	6.9
81.57932	3.2
85.02923	12.2
91.05489	5.3
92.42141	3.3
97.02901	7.2
104.44905	3.7
105.07032	8.5
107.04964	12.6
109.02898	22.3
109.06512	4.8
119.04939	6.9
121.06441	6.6
121.10191	5.6
122.17593	3.6
123.04414	11.8
126.03067	4.4
127.03918	4.0
131.83458	4.1
135.04437	7.4
135.08083	3.6
137.02301	5.1
137.05986	13.6
141.05482	13.1
146.07246	5.8
147.04466	7.9
149.05954	5.0
151.07559	15.9
153.01819	5.1
153.05470	100.0
161.02293	4.0
161.05994	27.5
163.03960	6.0
163.07526	13.7
165.05501	7.7
165.09091	6.2
167.07050	6.4
169.04961	8.8
177.05515	8.9
177.09077	7.9
178.09874	40.6
179.06999	8.5
179.10625	10.0
181.08711	4.8
182.38162	3.7
191.07062	27.0
193.08592	14.0
194.09290	3.6
195.06519	9.0
197.08031	6.4
207.10144	6.6
208.10963	7.1
213.07587	6.8
221.08113	6.9
235.09689	20.8
315.05298	17.7
316.05502	19.0
329.13678	8.1
355.15359	17.6
588.15790	5.6
589.27899	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	588.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.9
55.05509	2.2
56.74243	0.8
61.02929	5.4
67.05509	3.0
69.03411	1.1
69.07069	1.1
70.36242	2.8
78.04711	2.1
79.05495	3.0
81.03398	1.0
81.07056	3.7
83.04940	0.8
83.69906	0.7
85.02936	1.2
91.05502	4.3
93.07053	3.1
95.04982	2.3
95.08621	1.9
97.06556	1.2
105.07043	3.1
106.04196	1.9
107.04954	2.2
107.08639	1.8
109.02916	1.2
109.06534	1.4
109.10128	1.4
111.08109	1.1
117.07013	1.2
119.08590	1.3
121.06506	1.6
121.10135	1.7
123.04411	3.9
123.11643	0.9
124.05195	1.9
125.06010	0.8
129.07005	1.1
131.08633	1.0
133.06531	1.1
133.10197	1.0
135.11656	1.3
137.05956	5.5
137.09521	0.9
139.07544	1.8
143.08562	1.3
145.10149	1.3
147.11688	1.5
149.06010	3.4
151.03894	4.4
151.07564	2.5
152.04684	0.9
153.05450	1.1
159.08064	1.0
159.11649	1.3
161.06012	1.6
163.07544	1.2
167.07042	100.0
168.07458	2.8
177.05507	1.7
177.17085	0.8
188.08417	1.0
203.10695	2.3
209.08133	2.6
221.11781	2.1
227.09134	23.0
227.54352	0.9
283.13242	1.1
285.07541	1.4
293.12820	1.0
294.13126	1.1
311.12811	1.4
315.29153	0.8
325.14368	3.5
326.15195	6.7
341.13736	1.0
469.52460	0.9
556.26404	0.9
570.30615	1.5
588.25391	1.4
588.32672	1.5
589.26685	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	588.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01719	2.1
51.41943	2.6
53.03941	9.2
55.01887	5.8
55.05513	6.0
67.05505	12.1
69.03433	12.5
69.07066	13.6
69.07988	9.6
69.08406	18.6
69.72936	2.6
71.04992	7.9
76.55194	2.8
79.05500	12.8
79.93471	2.4
81.03419	19.4
81.07059	30.4
83.04993	18.1
85.02881	6.3
85.06558	6.5
91.05464	16.7
93.07051	40.9
95.04968	13.6
95.08611	31.7
97.02895	10.5
97.06528	21.3
97.59344	2.8
98.23330	6.0
99.04464	17.8
101.06033	3.6
103.05459	3.3
105.07041	27.2
107.04951	5.5
107.08603	28.5
109.02882	23.2
109.06514	21.7
109.10196	4.6
111.08083	19.6
113.00036	2.5
113.06030	4.7
114.59103	2.6
117.07027	3.0
119.04907	2.9
119.08606	15.1
121.06511	52.8
121.10146	7.9
123.04408	5.4
123.08027	6.2
123.11713	6.4
125.05991	15.4
127.03921	28.8
127.07623	3.1
131.08617	5.2
132.04489	2.7
133.06479	3.4
133.10143	14.8
135.04430	4.6
135.08092	13.3
136.13622	2.7
137.05992	9.6
139.07555	15.8
141.05441	5.0
143.07036	15.0
143.08577	5.3
145.10121	11.0
145.40338	2.8
147.08101	3.4
147.11690	34.6
149.09627	4.7
151.07587	3.9
151.11163	4.9
153.01901	7.5
157.08638	5.5
157.10175	11.1
159.06580	6.8
161.13283	6.9
163.07608	4.6
163.11162	4.8
165.09122	3.2
165.12724	8.6
167.07053	5.9
169.08661	5.2
169.12239	14.2
170.08882	4.0
171.11711	11.5
173.09744	3.7
175.11235	24.2
178.04971	3.9
181.10086	3.1
181.12210	2.7
187.05997	5.1
189.09117	4.0
189.12717	18.5
193.08580	7.5
193.12225	23.0
199.11176	16.1
205.07033	4.1
206.04488	9.2
207.06517	6.4
207.13872	12.1
209.11668	4.4
211.13322	26.7
217.12241	54.0
221.08142	12.9
227.12764	4.8
229.14377	13.7
235.13306	73.4
236.13541	3.5
253.14355	100.0
254.14648	3.9
269.13843	4.2
271.15378	19.5
275.16995	3.1
280.12030	4.7
289.16550	8.5
313.16238	2.9
337.16510	3.6
351.18796	3.6
379.17465	10.5
397.18405	20.8
415.19794	10.1
589.28510	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	588.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	10.0
55.01886	3.5
55.05512	14.3
57.07077	30.1
58.31323	2.7
58.79610	3.2
59.91739	2.7
65.03956	4.0
66.43720	3.1
67.05502	24.7
69.03439	13.1
69.07071	15.7
71.05010	3.5
71.08628	21.3
71.31686	3.7
73.80713	3.5
79.05489	18.1
81.03418	24.4
81.07059	35.4
82.07401	3.8
83.08631	11.9
83.12046	2.9
85.02905	17.1
85.10191	9.8
91.05479	27.1
92.05862	3.1
93.07047	100.0
93.07610	6.3
94.07394	3.9
95.05014	3.9
95.08614	31.4
97.02892	25.9
97.06526	3.9
97.10183	10.1
105.07024	15.5
107.08597	94.2
109.02881	8.9
109.06516	5.5
109.10162	15.1
119.08593	7.8
121.10152	7.9
122.59754	3.0
123.11714	7.6
125.09600	3.0
127.03935	26.2
131.08601	5.0
133.10101	7.0
135.11694	46.1
136.11995	3.5
137.13271	5.4
145.05019	6.6
145.10100	4.4
184.07123	3.3
187.14851	3.3
239.23608	18.9
275.19992	5.4
279.23294	6.7
280.23550	6.5
383.27954	23.0
401.29129	10.9
524.67218	3.8
588.47235	4.1
589.39502	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	589.225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24703	0.5
53.61129	0.5
60.60408	0.6
71.32827	0.9
78.94257	0.5
83.04926	0.5
85.02882	0.6
91.05482	0.6
97.02914	1.0
101.00894	0.7
109.02866	0.6
119.01904	2.8
123.04423	0.8
135.04411	0.9
137.06004	1.0
143.01942	0.6
145.03493	0.7
153.01848	0.9
155.01848	0.8
161.02979	2.1
163.07556	0.6
167.07053	2.2
173.02959	1.2
181.04990	0.8
185.02948	0.8
196.04778	0.5
197.02962	1.8
223.23480	0.5
245.05040	5.5
259.09476	0.6
263.06229	1.9
306.05774	0.6
373.66812	0.6
383.09537	0.8
409.15939	0.6
411.14102	1.8
427.17331	13.7
428.17700	0.8
445.06354	1.1
523.37506	0.6
547.09436	0.9
551.02716	0.5
589.22498	100.0
590.22717	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	589.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96804	0.3
54.81034	0.3
67.05501	0.8
70.64912	0.3
70.65244	0.8
70.90951	0.3
75.56241	0.3
79.05493	0.4
81.03407	0.6
81.07061	0.6
85.06551	0.7
91.05499	0.6
93.90497	0.3
98.68176	0.3
109.10166	1.4
131.08554	0.7
132.08922	0.4
137.05986	0.6
137.09570	2.6
138.09956	1.1
153.01797	0.4
153.05518	0.4
165.09116	2.0
166.09462	1.0
167.07025	8.2
167.08461	0.4
181.05008	0.3
181.08571	2.0
185.04138	0.4
189.05296	0.5
204.04008	1.3
211.09605	0.3
213.08920	1.0
227.12825	0.9
229.08417	1.1
273.11014	0.5
281.70963	0.3
309.13303	0.4
310.13528	0.7
327.14426	0.4
361.47437	0.4
411.14288	0.9
426.16522	1.8
427.17242	10.3
428.17798	0.5
451.19199	0.4
589.22485	100.0
590.22827	12.0
616.37671	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38186	0.2
59.21567	0.2
70.23526	0.5
78.51917	0.3
93.07072	0.3
107.08624	0.2
107.92867	0.2
119.08587	0.3
120.26649	0.2
125.05936	0.3
137.05910	0.3
158.62169	0.3
163.28905	0.3
167.06958	1.1
168.07423	0.4
169.08641	0.4
170.91356	0.2
185.04210	1.0
185.05669	0.2
185.08109	0.6
189.05222	0.4
204.03976	0.7
213.08913	0.5
216.07578	0.5
227.12865	0.3
229.08345	0.5
244.10747	0.3
245.11374	0.3
268.23862	0.2
273.11005	0.8
309.09421	0.6
411.14178	1.0
414.10364	0.3
426.16388	2.1
427.17258	6.9
428.17902	0.4
445.18399	0.9
574.20325	0.4
589.22498	100.0
590.22858	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	589.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17248	0.3
58.28955	0.3
67.05493	0.4
68.99883	0.3
71.33954	0.4
73.19947	0.3
77.14514	0.3
79.05487	0.8
89.69740	0.4
105.07054	0.4
111.02915	0.4
113.02162	0.3
114.09158	0.6
121.02889	0.3
145.39450	0.3
158.77055	0.4
176.04482	1.3
184.04959	0.5
185.04247	1.5
185.05751	0.4
189.05209	8.1
190.05807	0.6
201.05200	2.3
202.06009	0.6
203.06819	0.7
215.06778	2.1
216.07570	14.5
217.08267	4.1
219.06268	0.8
229.08308	1.9
232.07133	0.5
233.07800	1.8
325.13986	0.4
326.26062	0.4
352.11386	1.4
365.12012	5.4
379.13571	15.2
380.13974	0.5
395.13284	3.4
397.15192	0.5
425.15485	0.4
427.17255	9.2
428.17816	0.8
548.18988	0.5
558.20850	0.4
559.21075	1.0
589.22485	100.0
590.22858	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	589.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.5
55.05515	2.9
57.03434	1.0
57.07059	2.4
60.04522	0.9
61.45376	0.5
63.02346	0.7
67.05502	4.5
69.07063	3.6
69.09352	4.5
71.08624	3.3
77.60126	0.5
78.04668	0.6
79.05481	2.5
81.07058	4.8
83.08601	1.7
84.08067	0.6
84.11945	0.5
85.10197	0.5
89.03913	5.5
91.05468	2.0
93.07042	2.6
95.04941	0.6
95.08607	4.0
97.06518	0.6
97.10161	0.9
99.08079	0.8
105.07037	1.3
107.08576	1.7
109.06493	0.7
109.10155	1.6
117.03375	16.5
118.03789	0.5
119.08569	1.3
121.06528	0.7
121.10141	1.6
131.08496	0.6
133.10130	1.4
134.03609	1.3
135.04393	1.0
135.11659	1.5
137.05951	0.5
145.02837	39.8
146.03160	1.5
147.11714	0.5
149.05957	4.1
149.13148	0.8
154.08591	0.8
159.11710	0.6
163.03888	1.4
171.11823	0.5
175.14755	0.9
177.05457	100.0
178.05754	2.5
179.14284	1.6
186.05521	0.9
195.06549	1.1
234.89513	0.5
259.20587	0.6
272.34741	0.5
277.21625	2.6
280.62863	0.5
292.57935	0.5
313.27328	0.6
323.97095	0.5
425.28278	0.6
429.27753	0.6
572.45154	1.6
589.40161	3.4
589.48944	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	589.4461
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62152	1.1
53.03941	4.8
55.01871	9.1
55.05513	15.3
55.90241	1.2
57.03441	2.5
57.07080	6.6
65.03931	2.2
67.05502	35.6
69.03422	2.0
69.07066	13.4
69.25211	10.5
71.08631	19.4
73.06544	1.5
79.05046	2.6
79.05493	39.2
81.03418	5.3
81.07058	47.5
83.04977	8.2
83.08615	10.6
85.10165	4.5
87.04414	1.5
91.05486	28.7
93.07047	46.1
95.04961	8.5
95.08605	37.8
95.09217	1.8
97.06534	8.1
97.10154	3.1
99.08102	9.7
105.07033	18.7
106.50574	1.2
107.04940	6.0
107.08595	26.1
109.06525	4.1
109.10170	11.8
111.08075	13.7
113.09619	8.1
117.07005	4.9
119.08575	14.9
121.06516	2.3
121.10135	18.4
123.08097	2.9
123.11715	2.1
125.09628	1.5
129.06999	2.5
131.08598	6.1
131.09471	1.3
133.10135	9.5
135.11700	22.9
137.09586	2.0
141.09109	1.9
143.08546	2.4
145.10132	5.5
147.11673	5.5
149.09686	1.2
149.13225	7.5
151.11159	9.5
153.12746	3.0
157.10127	1.2
159.11624	3.4
161.13232	11.9
163.11191	7.1
163.14813	1.7
165.12740	9.0
171.11664	2.3
175.14783	2.6
177.12717	1.8
179.14302	63.0
180.14661	3.1
189.12796	1.9
199.14822	1.6
221.15419	2.1
231.20984	2.6
235.16956	2.8
241.19543	3.1
249.22153	4.8
259.20514	6.6
277.21628	100.0
278.22070	6.1
295.22717	19.7
316.45718	1.2
480.11566	1.4
531.12537	1.5
589.40582	5.2
589.49231	1.4
592.70264	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	38.1
55.25259	3.5
57.03424	10.9
57.07072	22.9
67.05505	100.0
69.07066	38.5
69.17413	27.2
71.08613	10.8
72.28812	3.4
72.85816	3.4
73.15339	4.1
79.05489	51.6
81.07056	92.9
83.08614	25.2
91.05482	31.5
93.07043	71.8
95.04966	5.5
95.08604	75.6
97.06517	9.3
97.10152	15.5
98.23339	7.2
99.04720	3.6
99.08070	3.9
105.07024	33.6
107.08588	35.1
109.10154	36.4
111.11691	8.9
117.06994	10.2
119.08590	33.5
121.10143	32.4
123.11687	14.9
125.09611	4.0
131.08609	19.8
133.10120	19.7
135.11673	25.0
135.65787	4.6
137.13216	5.5
145.10118	17.0
147.11676	10.7
149.09598	3.9
149.13269	11.8
157.10129	6.2
159.11720	6.6
161.13246	11.8
163.14854	4.2
171.11636	6.9
173.13255	8.8
175.14792	5.6
177.16367	6.9
185.13344	4.5
187.14807	4.2
215.17928	4.4
259.20654	7.0
261.22147	8.9
291.23221	5.3
311.25778	14.2
313.27390	7.9
333.24286	6.8
409.34433	3.7
491.40915	5.1
497.43427	14.7
498.43610	5.0
522.26361	4.0
571.47205	20.6
589.48199	85.8
590.48547	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	589.4825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01078	3.5
53.03942	5.4
55.05508	27.9
57.03438	20.5
57.07074	71.6
65.03947	5.5
67.05501	73.9
69.07062	35.2
69.15207	28.0
71.04970	6.6
71.08629	50.7
79.05486	48.3
81.03416	13.1
81.07056	83.4
83.05005	6.4
83.08619	29.0
85.06541	3.9
85.10178	29.7
91.05473	82.2
93.07034	72.3
95.04949	7.2
95.08599	74.6
97.06523	4.1
97.10164	11.0
105.07025	76.6
107.08581	41.5
109.06475	3.9
109.10141	27.7
110.79356	3.4
117.07016	15.2
119.08567	73.8
119.39984	4.4
120.08970	3.1
121.10143	23.6
123.11692	10.7
125.09570	3.4
129.07019	13.9
131.08554	26.7
133.10130	58.0
135.11694	20.5
141.23816	3.1
143.08572	11.9
145.10149	24.7
147.11681	58.4
149.13258	13.6
157.10123	15.7
159.11694	20.7
161.13257	42.9
163.14809	3.7
169.10127	4.6
171.11668	15.3
173.13300	12.6
175.11180	3.0
175.14819	23.9
177.12596	3.3
185.13243	12.1
187.14883	3.9
199.14844	7.7
201.16341	3.6
213.16319	4.0
215.17926	4.9
217.15479	3.0
231.21054	9.0
239.23785	4.7
241.19536	41.0
259.20551	100.0
260.20718	5.9
267.15860	7.6
277.21350	3.8
295.22867	3.5
313.27350	95.2
314.27676	10.2
315.23209	4.5
333.24249	48.7
334.24478	4.3
505.39050	5.8
571.46912	8.5
589.48309	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	590.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78869	0.8
53.03943	2.6
55.01871	1.7
55.05495	2.4
67.05503	17.0
69.03423	5.0
69.07066	2.1
71.04983	2.0
71.31860	1.1
79.05500	4.2
81.03412	16.6
81.07052	11.4
83.04978	1.2
85.02900	3.4
85.06563	1.0
91.05480	3.0
93.07030	4.6
95.04975	3.8
95.08614	7.5
97.02880	2.9
97.06534	1.0
99.04465	3.2
105.07037	3.2
107.04999	1.3
107.08599	4.7
108.30626	0.8
109.02879	13.6
109.06501	2.0
109.10153	41.1
109.10894	2.0
110.10502	1.1
111.04443	1.8
119.08554	4.1
121.06523	2.3
121.10126	2.9
123.04419	4.0
124.05209	0.9
125.06002	1.8
127.03947	6.7
131.08595	1.0
133.06473	1.7
134.93939	0.8
135.08093	2.6
137.05986	2.1
137.09613	100.0
138.09969	2.7
140.76173	1.0
145.06468	1.1
145.10112	1.3
147.08076	1.4
149.06015	1.5
151.03943	1.4
153.01813	2.3
155.10677	6.5
161.05989	1.3
161.09624	1.1
165.09114	76.0
166.09438	2.2
167.07034	97.2
168.07397	3.2
173.05936	1.1
181.08583	3.7
183.10150	6.9
191.07034	1.0
193.08569	5.5
201.11206	10.7
211.09682	16.0
219.10257	1.2
221.08095	2.0
229.10696	10.9
239.09190	1.3
285.13440	1.7
291.12360	6.2
309.13306	35.5
310.13693	2.7
319.11682	3.9
327.14429	12.0
344.51938	0.8
345.15588	2.1
346.15695	1.1
415.10162	3.8
437.59308	1.0
591.24023	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	590.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66479	0.4
51.73733	0.4
53.03933	1.1
55.01865	2.1
55.05506	1.1
65.03945	0.6
67.05515	2.1
69.03426	2.4
69.07069	2.3
69.09085	4.3
70.06621	0.4
71.04987	1.5
78.04696	2.5
79.05488	2.6
81.03416	3.9
81.07051	4.2
83.04987	1.8
85.02896	1.9
85.06540	0.8
91.05478	1.5
93.07041	5.9
95.04971	2.5
95.08609	3.5
97.02895	0.9
97.06528	2.4
98.23343	0.7
99.04454	1.9
105.07018	4.3
106.04160	1.4
107.04948	1.7
107.08607	5.7
108.04482	0.8
109.02885	3.8
109.06532	2.5
109.10152	0.8
111.08061	1.6
117.06978	0.8
119.08575	1.9
121.02852	0.6
121.06521	3.8
121.10163	4.2
123.04438	6.6
123.08049	1.0
124.05175	1.5
125.05993	1.5
127.03899	3.3
127.07551	0.6
129.70090	0.5
131.08583	0.7
133.10114	1.4
135.04410	0.8
135.08020	1.2
135.11681	1.1
136.07489	0.6
137.05974	2.4
139.03888	0.9
139.07570	1.2
139.11194	0.6
143.07051	1.0
145.10124	3.8
147.04407	0.6
147.11713	2.5
149.09622	1.8
151.03885	1.8
151.07562	1.5
152.04709	1.3
153.01816	3.3
157.08643	0.8
157.10042	0.9
159.06493	0.5
159.11589	0.6
161.13283	0.5
161.84830	0.4
163.03838	0.6
163.07506	0.4
163.11159	5.5
164.06981	0.8
165.12749	0.6
167.07037	100.0
167.10715	1.9
168.07376	3.4
169.08618	6.3
169.12204	0.7
171.11557	0.5
173.09610	1.2
175.11197	1.4
181.08569	0.6
181.12247	1.2
189.05339	0.9
189.12720	0.9
191.10643	3.2
193.12257	1.5
207.06396	0.5
207.13864	0.6
209.11699	2.6
211.13289	1.3
213.64931	0.5
217.12242	2.4
217.41515	0.5
227.12753	6.1
229.14511	0.5
235.13295	4.3
247.40454	0.5
253.14290	4.2
297.07565	1.1
299.09308	0.5
303.04883	0.7
340.05585	0.5
353.15961	1.6
364.46225	0.5
371.16888	1.9
415.10226	0.8
590.28455	1.3
591.20245	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.6
55.01868	4.9
55.05512	3.4
60.33150	1.1
67.05505	3.4
69.03424	4.8
69.07069	5.7
70.59596	1.8
70.59902	1.6
71.04987	4.0
79.05500	4.9
81.03406	11.3
81.07046	11.4
85.02903	3.1
85.06557	3.5
91.05471	4.8
93.07047	14.3
95.01318	2.2
95.04964	3.6
95.08603	5.4
97.02911	2.7
97.06535	4.3
97.10184	1.8
99.04474	3.2
101.62585	1.1
105.07024	10.3
107.04929	1.4
107.08600	19.5
109.02869	9.9
109.06487	6.1
109.10176	2.7
110.03677	4.4
111.04458	2.1
111.08112	3.3
113.05992	1.7
117.07057	1.8
119.08576	3.4
121.02882	3.9
121.06505	5.2
121.10138	12.2
123.04411	2.8
123.08081	3.7
125.05985	22.3
127.03920	8.9
131.05052	1.3
133.10088	1.9
135.08073	2.7
135.11684	5.4
137.05952	3.0
137.09596	1.4
137.74416	1.2
139.03897	6.2
139.11206	1.9
145.10118	9.7
147.11739	2.4
149.09570	6.2
151.03940	2.5
151.07579	5.3
153.04219	2.9
153.05463	53.1
153.12753	1.5
154.06241	15.3
161.05978	1.5
163.11168	27.6
164.11494	1.2
165.09116	1.5
167.10646	9.8
169.08607	31.7
170.05754	1.4
181.12190	6.1
185.08087	100.0
186.08345	2.0
189.05428	2.3
191.10666	16.0
207.06554	1.3
209.08101	1.7
209.11703	14.0
227.12756	39.1
228.13242	1.5
251.09087	3.9
255.12601	1.3
269.13779	2.8
275.09171	5.0
283.29077	1.2
289.14392	3.7
293.10284	3.9
293.13477	1.5
299.16653	1.2
311.14725	2.3
349.56464	1.8
353.15942	12.7
371.17065	9.9
396.13745	1.5
408.84799	1.3
416.59103	1.4
419.20041	1.5
437.21201	1.5
555.21832	2.6
573.22772	5.3
590.23016	2.8
591.24030	93.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.4047
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27061	2.2
53.03944	2.5
55.05508	14.2
57.07072	4.6
65.03939	2.4
65.20956	2.1
67.05495	20.4
69.07066	18.7
79.05473	14.4
81.07055	35.3
82.07380	3.1
83.04973	24.3
83.08618	13.0
84.23978	2.2
91.05472	16.1
93.07039	39.4
95.04967	8.1
95.08600	52.8
97.06526	5.4
97.10172	6.5
98.23326	4.7
100.40054	2.7
105.07024	50.7
106.07341	2.5
107.08587	59.1
109.06542	7.6
109.10153	29.2
111.08084	7.2
111.11711	3.1
113.09630	2.2
117.07016	5.0
119.08568	64.7
121.10138	34.4
123.08083	4.8
123.11713	12.5
125.09631	4.9
126.00586	2.0
129.06972	4.2
131.08578	21.4
133.10118	46.3
134.49918	2.7
135.08072	3.4
135.11690	22.3
137.09634	2.9
139.07591	3.6
139.11232	3.0
143.08559	8.5
145.10112	45.1
147.11685	36.7
149.13243	16.7
153.09082	4.3
157.10129	10.1
158.10774	2.6
159.11700	49.1
161.13252	40.6
163.07413	2.7
163.11136	3.3
163.14792	12.3
171.11639	7.4
173.13228	21.8
175.14798	22.7
177.09097	3.0
177.16389	12.2
183.11646	2.8
185.13292	3.7
187.14815	29.7
189.16385	42.8
191.14265	5.0
191.17873	11.4
199.14868	7.7
201.16365	47.0
201.18108	3.9
203.14273	3.6
203.17920	15.8
205.15895	12.2
211.14885	2.9
213.16403	12.7
215.14355	2.2
215.17986	22.7
217.15881	16.2
219.17410	16.9
225.16461	4.2
227.17906	3.4
231.13797	2.4
231.17462	4.2
233.18970	5.3
235.16920	10.7
241.19524	3.9
243.20963	2.7
247.16864	18.0
249.18506	4.4
255.21025	3.5
261.18509	14.2
267.21078	4.4
349.28854	4.5
350.28500	2.7
371.29404	3.6
389.31882	7.3
395.29495	15.9
407.28796	2.6
407.33179	35.2
408.33505	3.4
423.32608	3.9
435.32590	17.0
436.33182	2.9
453.33603	100.0
454.33667	10.6
513.36017	3.7
545.18042	2.9
573.41235	4.0
591.35431	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	590.462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	10.1
55.05503	22.4
57.03433	17.7
57.07060	34.9
60.51669	7.5
67.05511	53.8
67.64789	7.9
69.07050	13.3
71.08626	27.7
71.34225	10.9
71.34580	13.0
79.05486	24.3
81.03406	38.7
81.07055	42.5
83.08602	10.3
85.10163	21.6
89.03926	9.0
91.05473	35.1
93.07027	23.3
95.08604	39.2
97.10188	7.9
105.07022	29.6
107.08593	20.8
109.10149	17.1
110.10576	8.8
116.35433	9.5
117.03353	25.2
119.08555	18.4
121.10096	14.8
131.08499	14.1
133.10201	14.8
145.02835	40.4
145.10133	9.4
146.03201	17.8
147.11658	18.2
175.49976	10.4
177.05441	100.0
178.05775	35.7
193.12227	13.2
218.58305	8.8
242.19858	7.8
259.20639	12.4
260.20972	22.0
267.15900	36.5
313.27301	56.3
314.27682	31.3
421.18436	9.8
437.88431	10.4
493.38611	11.8
504.79657	9.5
505.38593	29.5
590.44659	48.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2407
Annotation	Lydenburgenin
Peak:m/z	Relative Intensity
88.02483	0.2
94.48174	0.2
108.41309	0.2
175.03659	0.4
185.04179	2.0
185.05460	0.2
189.05215	16.1
190.05649	0.4
190.42529	0.2
202.05939	1.3
203.06802	2.9
204.07198	0.2
216.07555	1.6
217.08342	7.2
217.10449	0.5
218.09015	0.3
219.06241	1.4
231.10002	0.3
233.07826	3.8
234.08612	11.7
235.09348	1.4
247.09392	2.4
280.65115	0.2
338.09897	0.3
349.12451	0.4
351.14374	0.3
352.11377	0.8
365.12054	16.0
366.12256	1.1
370.08661	2.1
379.13599	7.8
380.14108	0.8
412.13388	1.2
413.15912	0.4
417.94147	0.2
428.18039	0.7
429.18845	6.6
430.19269	0.5
503.49850	0.3
560.22241	0.3
561.23163	1.2
591.24078	100.0
592.24396	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	591.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46811	0.2
58.61339	0.2
83.01161	0.2
137.05983	0.7
139.03728	0.3
153.01868	0.6
159.28397	0.2
177.05498	0.2
185.04227	0.5
189.05220	5.3
189.06873	0.3
190.05815	0.4
201.03761	0.7
203.06841	0.4
217.08415	0.4
219.66156	0.2
233.08038	0.3
234.08577	1.0
235.09464	0.2
245.08011	0.5
253.04771	0.2
263.08908	0.6
277.10370	0.4
289.26559	0.2
349.12686	0.3
367.13519	1.8
377.12177	0.9
381.11530	4.7
383.13220	0.3
393.15173	0.3
395.13089	1.5
396.13901	5.4
397.14490	1.6
409.14868	0.4
411.16458	0.2
471.18311	3.5
472.19031	0.3
547.25055	0.4
591.24091	100.0
592.24506	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	591.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.9
67.05487	1.1
69.03430	1.0
69.07078	1.2
71.04989	0.5
71.33098	0.4
79.05493	1.1
81.03419	1.4
81.07064	2.9
83.04987	0.6
85.06543	0.5
88.31463	0.4
91.05470	0.9
93.07049	2.3
95.04993	0.4
95.08606	1.6
97.06519	0.6
97.10182	1.2
105.07022	1.7
107.08589	3.1
109.02901	0.8
109.06502	0.4
109.10162	1.0
111.23749	0.4
117.06990	0.4
119.08576	1.3
121.06512	1.0
121.10146	1.5
123.04465	0.5
123.08098	0.6
123.11730	0.8
125.05982	1.7
125.09639	0.5
126.06408	0.6
127.03915	1.2
127.82671	0.4
131.08597	0.6
133.10178	0.8
135.08009	0.5
135.11720	0.9
137.05965	0.8
139.03940	1.0
139.11249	0.5
141.09074	0.4
143.08582	0.4
145.10173	1.1
147.08041	0.4
147.11708	1.1
149.09648	0.9
149.13307	0.5
151.03917	1.8
153.05470	3.0
154.06009	1.3
157.10123	0.5
161.09592	0.5
163.11226	1.6
163.14911	0.5
164.11507	0.9
165.09103	0.4
167.07054	0.4
167.10735	0.9
169.08606	1.9
169.09953	0.6
170.08940	0.7
173.13335	0.4
181.12228	0.7
185.08080	5.1
186.08403	2.6
189.05258	2.0
191.10629	0.9
192.11038	0.7
210.12184	0.6
227.12762	2.6
228.13202	1.2
275.16245	0.8
293.17276	1.3
294.10809	0.4
299.08896	0.4
312.62674	0.4
321.24426	0.5
354.16403	0.8
367.13666	0.4
381.11685	0.9
396.13986	1.3
397.14423	0.5
399.90381	0.4
419.20593	0.8
437.21381	1.7
479.03629	0.5
537.21136	1.0
555.22083	2.6
556.22449	0.5
573.22992	6.6
574.23218	0.6
591.24066	100.0
592.24365	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	591.2406
Annotation	Lydenburgenin
Peak:m/z	Relative Intensity
53.98214	0.4
70.38897	1.5
114.09146	0.5
185.04263	1.3
189.03516	1.1
189.05225	22.0
190.05724	0.7
202.06010	1.3
203.06783	2.6
216.07590	1.5
217.08347	5.2
219.06297	0.5
225.28629	0.4
231.09752	0.4
233.07869	1.9
234.08606	7.5
235.09389	1.4
240.68259	0.5
247.09486	2.1
263.34052	0.4
365.12064	12.7
370.08768	1.8
379.13614	7.6
412.13586	1.0
428.18298	0.5
429.18851	8.8
430.19247	0.7
561.23010	1.2
591.24060	100.0
592.24451	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	591.2773
Annotation	7'-[1-(acetyloxy)ethyl]-7'-deoxo-2'-deoxy-3',4'-dihydroxyverrucarin A
Peak:m/z	Relative Intensity
68.86224	0.5
91.05511	0.6
95.08633	0.9
155.87173	0.5
185.19991	0.5
223.09447	1.1
229.43053	0.6
230.89983	0.6
325.12744	1.8
367.13486	0.8
385.14658	6.6
391.17697	0.6
555.61493	0.6
591.27740	100.0
592.28027	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	591.4981
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.2
53.84546	4.8
54.15451	4.6
55.05511	20.4
57.03439	19.2
57.07074	50.4
60.75313	5.1
65.03928	6.5
67.05502	69.6
69.07063	22.1
71.08632	22.1
79.05488	41.1
81.07053	76.2
83.08634	14.1
85.06511	5.4
85.10194	14.8
85.73367	4.4
91.05486	19.3
91.58762	4.9
93.07044	52.1
95.08604	84.7
95.09212	6.3
95.23408	4.7
97.10168	7.7
98.22581	10.0
103.32653	4.0
105.07040	14.5
107.08570	27.7
109.10159	32.7
117.07037	7.3
119.08607	12.7
121.10147	26.9
123.11721	16.2
131.08592	19.3
133.10127	11.5
135.11667	25.9
137.08327	5.2
137.58618	4.2
145.10156	11.6
147.11729	6.7
149.13237	15.6
159.11732	8.8
161.13298	10.2
163.14879	7.0
173.13219	7.2
175.14923	5.6
187.14835	7.8
198.56302	4.9
201.31760	4.6
208.13547	4.6
229.35545	6.2
243.21065	15.9
261.22131	65.8
313.27359	100.0
317.24652	11.5
334.05518	5.1
335.25803	65.5
573.48547	15.9
591.50085	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	593.22
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81732	0.3
58.75135	0.3
69.38048	1.5
69.38461	1.0
70.11781	0.4
79.05487	0.5
83.01119	0.5
85.25629	0.3
90.91078	0.3
95.01092	1.2
96.01831	0.4
97.05332	0.3
98.23264	0.7
105.07033	1.1
113.02129	1.4
118.04176	0.5
119.04954	0.7
123.04451	1.2
127.03893	0.6
133.06502	1.1
135.04420	0.5
137.05920	2.1
139.03920	1.0
141.25249	0.3
147.04408	0.6
151.03897	0.7
152.98941	0.4
163.03911	0.6
165.05528	0.4
165.09143	0.9
167.03310	0.5
167.07036	0.5
180.34334	0.4
185.04257	2.0
189.05257	1.4
193.08522	2.1
201.03694	1.7
202.06042	0.7
203.05238	12.1
204.05656	0.4
206.31522	0.3
211.09760	0.7
219.06264	2.2
220.06781	0.4
234.08607	11.0
235.09396	2.2
278.31723	0.4
381.11557	1.0
383.14590	6.8
396.13837	0.6
413.15796	1.1
465.24213	0.4
519.09454	0.4
528.48743	0.4
593.21997	100.0
594.22284	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	593.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
71.32207	0.7
71.32578	0.8
107.04971	0.9
123.04435	1.6
127.03912	1.7
135.04495	0.9
135.08064	0.8
137.06013	2.2
139.03918	2.8
151.03932	1.6
153.01764	1.0
163.03955	2.0
163.07579	1.2
171.02687	0.6
179.03372	0.9
181.04950	0.8
189.05231	6.8
191.03477	0.6
195.10246	1.9
201.03679	1.6
205.04773	0.8
217.08327	4.9
219.06425	1.3
247.46368	0.7
263.05515	0.8
263.08939	0.7
269.11795	0.8
287.05518	1.3
367.13669	2.2
377.12009	1.3
381.11511	7.2
382.12225	0.9
395.13074	3.3
396.13840	10.6
397.14264	0.9
413.15802	1.1
545.38599	0.9
591.40515	0.8
593.21942	100.0
594.22321	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	593.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
62.19947	0.3
71.01664	0.4
71.33886	0.5
71.34333	0.5
76.23505	0.3
108.72186	0.3
118.90724	0.3
123.04456	0.4
137.05988	0.5
149.42964	0.3
189.01767	0.4
223.09477	0.5
249.10898	0.4
249.78600	0.3
282.09235	0.3
367.13565	0.8
385.14584	0.6
411.16144	0.4
593.25623	100.0
594.25964	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	593.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.2
55.05516	5.1
57.07072	2.6
58.19825	2.4
65.03948	2.9
67.05504	3.4
69.03439	4.7
71.32590	1.6
71.33040	2.4
72.09267	1.9
79.05515	7.4
81.03422	4.3
81.07063	2.6
83.04974	28.5
83.05428	2.6
85.06568	3.5
91.05490	13.3
93.07083	8.4
95.01394	2.5
95.04958	2.4
95.08634	2.8
105.07063	9.7
107.08583	48.2
108.75374	2.4
109.06540	4.6
109.10149	1.9
110.03627	10.4
111.04418	2.8
115.05497	3.9
117.07053	4.7
119.08614	9.4
121.06485	18.1
121.10146	2.3
125.05980	37.1
127.03892	2.7
127.07581	4.3
131.08569	5.6
133.06529	3.0
133.10147	5.7
134.91235	2.2
135.08044	88.5
136.08411	5.0
137.06015	3.5
139.03952	4.7
144.09439	2.4
145.06500	7.1
145.10123	4.0
147.08093	6.0
147.11693	2.0
149.05978	2.7
151.03909	4.0
151.07626	2.6
153.05464	57.3
153.06628	3.5
154.06213	21.6
159.08040	5.9
159.11739	9.4
161.09657	7.5
163.07516	31.5
167.07130	2.3
170.05791	5.6
173.09627	4.2
173.13232	10.9
185.08075	100.0
186.08505	3.9
186.10373	2.4
187.11212	13.1
189.09174	2.8
189.12695	3.2
191.07056	4.8
201.12698	10.9
203.14389	6.5
205.12172	19.8
209.08177	2.9
219.11751	1.8
219.13760	48.8
219.15714	3.0
220.13989	2.6
227.09254	4.1
229.12271	14.5
234.06754	2.4
235.07466	2.8
247.13229	28.5
251.09271	2.2
275.09277	7.7
307.09720	2.6
335.09177	9.1
365.09979	4.5
367.11859	4.7
391.17267	3.1
579.89313	2.2
593.23608	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	593.2754
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
65.03944	0.3
69.30782	2.2
79.05492	0.3
91.05482	1.2
95.10195	0.2
105.07031	2.7
133.10103	1.6
179.60867	0.3
206.83148	0.3
221.10719	0.4
225.11275	0.4
269.49384	0.3
324.14978	0.3
387.16074	0.6
388.17099	0.7
389.17654	1.4
390.18170	0.5
391.19083	0.4
401.17719	0.6
402.18369	1.2
403.19238	3.1
404.19775	1.5
405.20700	2.3
406.21298	0.4
416.20160	0.8
417.16943	0.9
417.21344	3.8
418.21838	1.9
419.22327	4.4
420.22659	0.9
429.17099	0.4
430.17224	1.6
431.18109	8.6
431.23700	0.5
432.18661	4.4
433.24103	6.8
434.24765	2.6
444.18939	0.5
445.19888	10.2
446.20645	6.1
447.21643	6.6
448.22198	1.1
449.23352	0.4
459.21616	4.2
460.22543	12.7
461.23175	11.9
462.24191	0.8
463.21042	0.8
473.23703	2.4
474.24139	1.2
476.25644	1.1
477.22357	1.3
487.24759	1.1
489.26321	0.8
491.25247	1.4
492.25330	1.5
493.25925	0.5
504.21359	0.3
505.21991	7.4
506.22836	1.0
515.24329	0.4
518.23224	0.8
519.23920	1.0
533.25452	28.2
534.25781	4.2
547.27020	0.4
549.21692	0.3
561.24066	0.4
564.23218	0.6
565.27588	0.6
593.27539	100.0
594.27875	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	593.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48303	1.4
55.05508	3.7
57.07076	2.9
67.05501	6.7
69.07066	2.1
72.38629	1.5
79.05511	2.5
81.07058	7.0
89.76768	1.6
93.07041	4.8
95.08601	4.1
107.08630	1.5
109.10118	2.6
121.10101	2.2
236.84412	2.0
243.17412	1.7
299.40762	1.6
353.03964	1.8
403.19150	3.7
417.20969	4.6
419.22318	5.3
431.18356	10.1
432.19379	3.8
433.23688	8.7
434.24347	2.9
445.19687	10.7
446.20966	5.6
447.21643	3.6
459.21924	4.3
460.22488	11.2
461.23193	11.7
473.23709	3.2
505.22659	5.1
533.25494	43.6
534.25800	7.7
578.56213	2.0
593.27539	100.0
593.39893	6.3
594.27802	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	593.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.2
55.01872	2.0
55.05508	9.5
57.07085	5.8
59.04988	2.1
65.03931	1.9
66.58529	0.9
67.05504	15.9
68.79782	0.9
69.03432	4.1
69.07063	5.9
71.05004	5.0
79.05494	11.2
81.03406	2.5
81.07056	12.0
83.01343	2.7
83.04987	3.5
83.08624	3.2
85.06529	2.6
87.04472	1.9
91.05477	41.3
93.07044	14.9
95.04955	6.0
95.08607	18.2
97.06528	10.3
97.10168	1.9
101.10947	1.1
103.05492	5.2
105.07029	87.6
107.04968	1.6
107.08592	9.2
109.06523	4.8
109.10188	6.6
111.04505	1.3
111.08089	2.4
111.11691	1.1
113.06013	3.0
115.05450	7.4
116.06229	1.2
117.07017	15.6
118.07751	1.2
119.04963	5.9
119.08570	8.6
121.06525	3.3
121.10147	10.9
123.04439	2.8
123.08078	9.7
123.11711	4.8
125.05996	1.4
125.09623	1.8
127.07513	1.4
129.07042	1.9
131.08556	8.4
133.06493	3.4
133.10127	100.0
134.10507	3.4
135.08034	5.9
135.11705	4.1
137.05977	3.6
137.09619	9.9
139.07468	1.0
139.11169	13.6
141.05453	3.9
141.07018	2.2
142.07805	1.3
143.08565	2.8
145.10139	3.0
147.08052	2.8
147.11697	3.2
149.05927	1.2
149.09618	6.8
149.13228	2.6
150.10387	5.3
151.07520	8.0
151.11194	3.2
153.05493	5.6
153.09076	2.1
154.07753	3.2
155.08446	1.1
156.09370	1.3
157.05017	1.7
157.10133	3.8
159.08051	5.1
159.10416	1.5
159.11723	7.1
161.05963	1.3
161.09593	2.2
161.13239	1.4
163.07564	3.0
163.11157	1.6
163.14795	1.1
165.09186	1.8
167.08513	1.1
167.10722	6.6
169.04950	2.9
169.08727	1.2
169.10071	5.2
171.11687	3.9
173.13295	2.1
175.07584	1.9
177.09128	4.1
177.12717	1.8
179.07024	12.1
179.10652	2.6
181.08669	1.3
183.06638	1.7
183.11662	1.2
185.09772	1.1
187.11215	2.1
189.05435	2.4
189.09174	1.8
191.07085	1.6
191.14319	3.2
193.08615	3.5
193.12169	1.8
195.06453	1.4
195.11719	1.3
197.08070	20.1
197.09666	22.2
198.09998	1.5
199.11217	1.7
201.12805	2.1
205.08589	1.6
205.10307	1.8
207.06544	5.0
207.10168	2.7
207.13808	2.3
209.13515	1.1
209.15343	4.8
211.09575	9.2
211.11244	1.3
213.08945	1.4
213.12650	1.1
215.10655	1.9
219.13780	3.5
223.09612	2.2
225.07576	8.1
225.11121	14.4
227.10730	1.5
229.12218	2.4
235.11053	1.7
235.13181	9.6
237.14830	41.5
238.15268	1.9
239.10757	2.2
243.21155	1.5
249.14839	2.5
251.10823	2.2
251.16275	1.3
255.14120	1.2
257.11615	1.7
261.22232	2.0
265.14301	6.2
267.16025	1.8
273.14893	3.3
279.23230	3.7
281.12231	1.3
281.15347	5.8
285.14832	2.8
287.12906	1.5
289.14130	0.9
291.13782	5.1
293.15427	2.0
303.67737	1.0
309.14847	27.6
310.15045	1.3
311.16544	2.9
321.14642	1.3
327.15979	6.1
329.17303	2.0
335.25745	2.0
337.14377	1.1
339.15845	1.5
343.19168	1.9
345.13293	1.8
345.16919	6.4
351.19833	2.2
357.16797	3.0
357.20773	3.3
361.17816	1.6
371.18768	1.7
373.16531	2.3
375.19534	2.6
379.18866	1.9
389.17575	1.9
399.17712	2.1
401.16010	1.6
407.18497	6.4
411.25433	1.7
423.21573	2.7
425.19577	26.6
426.20062	2.2
427.21207	1.2
431.31439	1.1
441.22708	3.1
443.20251	4.2
443.24548	5.0
445.20218	1.3
461.21390	5.4
462.21790	1.3
463.21100	1.7
469.30429	1.1
487.24646	2.1
497.23682	1.2
505.25629	2.0
515.24347	6.2
527.36853	1.2
533.25378	15.2
534.25647	1.9
539.28186	2.4
557.28778	3.8
575.29749	8.7
593.30963	12.4
593.40460	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	593.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65502	1.2
50.75429	1.1
53.03926	2.7
55.01863	2.0
55.05514	10.1
57.03411	2.0
57.07076	7.1
59.05001	1.4
65.03928	2.8
65.85097	1.1
67.05509	15.9
68.62397	1.2
69.03532	9.4
69.07078	7.4
71.04997	7.9
79.05495	14.6
81.07053	11.6
83.01315	4.6
83.04955	2.3
83.08590	2.5
85.02850	1.6
85.06526	2.7
86.71634	1.1
87.04430	1.6
91.05479	47.0
92.05787	1.2
93.07047	15.5
95.04932	6.0
95.08602	10.5
97.06525	12.0
97.10123	1.8
98.22591	2.3
103.05433	4.3
105.07028	100.0
106.07336	2.4
107.04928	1.8
107.08585	9.1
109.06464	4.2
109.10117	4.1
111.08081	2.8
113.05978	3.8
115.05464	8.6
117.07014	27.4
119.04928	7.7
119.08582	11.7
121.06444	3.5
121.10159	11.7
123.04367	1.4
123.08059	8.6
123.11648	3.3
125.05888	1.4
125.09592	2.2
128.06093	1.6
128.28986	1.1
129.06926	3.8
131.08559	11.8
133.06447	3.1
133.10130	65.5
134.10428	2.1
135.08075	7.2
135.11700	7.6
137.05948	3.1
137.09613	11.1
139.11188	16.4
140.69092	1.2
141.05435	2.8
141.06944	1.7
142.07726	1.9
143.08488	2.0
145.10118	3.3
147.08014	2.4
147.11656	2.6
149.09575	7.4
149.13214	1.9
150.10333	4.2
151.07510	6.6
151.11121	4.9
153.05417	4.3
153.09096	1.7
153.63580	1.2
154.07698	3.5
155.08533	1.7
157.04884	1.9
157.10065	4.7
159.08015	7.1
159.11697	8.9
161.09543	3.6
163.07506	2.5
163.11130	1.3
163.38031	1.0
165.09032	2.9
167.10666	7.0
169.04866	3.4
169.10115	9.2
170.10596	1.3
171.11713	5.7
173.09552	1.5
173.13217	2.1
175.07460	3.0
177.09050	3.6
177.12682	1.9
179.07047	13.8
179.10558	2.5
183.06477	2.8
183.11646	2.3
185.09634	2.5
185.13162	1.7
187.07407	1.5
187.11118	2.7
189.05423	2.2
189.09084	3.4
189.12735	2.2
191.14253	4.9
193.08475	3.8
193.10117	1.8
193.12106	2.2
197.07993	21.7
197.09561	33.1
199.11124	2.0
201.12666	4.0
205.10138	2.4
205.12126	1.3
207.06500	5.7
207.10039	2.7
207.13684	2.5
209.15356	7.0
211.09540	4.9
211.11232	2.5
215.06802	1.5
215.10539	2.6
219.09955	1.4
219.13676	3.8
221.13181	1.3
221.15189	1.6
225.07550	8.0
225.11124	9.7
227.10651	1.9
229.12141	3.0
231.09834	1.4
235.11169	1.4
235.13243	14.3
237.14850	45.3
238.15157	1.8
239.10620	2.7
249.14810	3.7
251.10631	2.4
253.15805	1.4
257.11600	2.0
265.14297	6.4
267.13696	1.5
269.11728	1.6
273.14993	2.7
275.12695	2.6
275.22488	1.3
276.43436	1.4
279.23065	1.3
281.15329	8.8
285.14764	3.0
287.12479	1.6
291.13733	5.6
301.14331	1.5
309.11594	2.3
309.14865	32.5
309.18393	2.5
310.15073	2.9
311.16391	2.6
327.15848	8.5
329.17148	2.0
333.18250	2.1
343.18802	4.3
345.13141	1.7
345.16882	6.7
351.19305	3.5
353.17340	2.5
355.15222	2.7
357.16739	2.9
361.17719	3.1
371.18463	1.8
379.18613	4.6
389.17123	3.5
391.32941	1.5
399.17850	2.8
401.15463	2.1
403.19073	5.9
404.19174	1.5
405.13235	1.4
405.20413	2.8
407.18518	10.5
417.20764	3.6
418.21512	1.8
419.21909	5.3
423.21405	2.8
425.19601	50.9
426.19516	4.2
430.17563	1.7
431.18216	7.1
432.18933	3.3
433.23508	3.8
441.22800	10.3
443.20215	5.1
443.24854	2.4
445.19894	11.4
446.20364	3.9
447.21307	5.4
459.21854	4.1
460.22443	7.7
461.22372	9.5
463.20724	2.3
487.24240	1.8
505.21600	2.2
505.26053	1.9
515.24194	8.5
531.30792	2.9
533.25446	28.5
534.25421	5.6
539.27448	2.1
557.28851	7.3
575.29651	11.0
593.27142	69.4
594.27502	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	593.333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13157	0.2
51.25420	0.2
55.05507	1.7
55.09369	0.2
56.04772	0.2
56.05021	0.8
57.07087	0.3
57.32629	0.2
58.06598	28.7
59.06930	0.4
59.99610	0.1
67.05497	0.4
70.06593	0.4
72.08154	11.1
73.06554	2.0
73.08487	0.2
79.05486	0.6
79.23843	0.1
80.05746	0.2
81.07057	0.5
83.04993	0.5
83.08626	0.3
86.06066	3.6
91.05477	1.1
93.07023	0.7
95.08619	0.4
96.08139	0.2
98.06059	0.4
98.23309	0.4
101.06016	3.4
101.06641	0.3
103.05456	1.6
104.07098	1.7
105.07011	2.5
107.04965	0.5
107.08644	0.3
114.05532	1.8
117.07025	0.5
118.06534	0.7
119.07319	6.2
119.08599	0.3
120.08112	4.5
121.10146	0.2
129.05466	0.2
129.07022	0.2
131.04967	0.8
131.08572	0.5
132.08063	0.3
133.08751	0.2
134.09645	100.0
135.09990	3.3
136.11215	0.4
138.12770	0.2
139.08656	0.3
144.08107	0.2
145.10101	0.2
147.11752	0.2
149.06023	0.2
152.13145	0.2
154.12297	0.6
160.11279	0.2
162.09120	0.2
172.13326	4.5
172.14719	0.3
173.13539	0.2
174.12788	3.2
175.13120	0.3
179.11829	0.5
182.11725	0.2
186.11253	2.8
188.14398	0.3
195.14958	0.4
200.12833	0.8
203.13896	0.2
216.10202	1.4
229.32932	0.2
232.11127	0.2
233.12860	0.6
238.43690	0.1
244.13451	0.2
246.14952	0.5
251.13992	0.4
257.18582	13.1
258.18930	0.5
265.17276	0.2
281.16470	8.1
282.16840	0.5
285.18057	7.7
285.21246	0.3
286.18304	0.4
309.15939	8.5
310.16290	0.4
343.20154	6.8
344.20529	0.4
361.21194	8.3
362.21576	0.7
394.21277	1.1
404.25409	1.9
412.22324	1.8
418.27029	0.6
432.24841	1.5
446.26477	8.0
447.26819	0.8
508.27979	0.2
565.33765	3.2
566.34192	0.5
593.24152	0.3
593.33136	6.5
594.33551	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.1
55.01880	1.4
55.05505	0.4
57.03445	2.4
61.02933	3.3
65.03953	0.5
67.05513	0.4
69.03426	7.6
69.07086	0.6
69.54961	1.5
71.05003	1.0
73.02917	1.0
79.05494	1.2
81.03416	3.3
81.07067	0.8
84.66048	0.4
84.82075	0.3
85.02901	35.9
86.03242	0.5
87.04480	0.8
90.72292	0.3
91.03956	1.3
91.05461	2.6
93.03400	0.5
93.07047	1.2
95.04950	0.6
95.08602	0.4
97.02888	11.2
97.06533	0.4
98.48390	0.3
99.04450	1.6
103.05473	5.9
105.03371	0.5
105.07034	2.7
105.66332	0.3
107.04952	6.3
107.08584	0.9
109.02863	3.4
109.10137	0.3
111.04438	0.6
115.03904	0.3
115.05431	0.6
117.06972	0.6
119.04936	2.0
119.08590	0.5
120.05733	2.3
121.06491	0.5
121.10105	0.5
123.04453	0.5
123.11741	0.4
127.03919	7.0
130.04141	0.5
131.04942	2.0
133.06480	0.6
133.10074	0.5
134.07291	0.5
135.08035	6.1
137.05942	1.7
139.03871	2.8
145.04953	9.8
145.06535	0.4
147.04410	4.2
148.05179	3.3
149.06006	1.4
151.03902	0.6
151.07542	0.4
153.05391	0.4
154.06236	23.3
155.06560	0.4
161.05916	0.9
162.06694	1.0
163.06032	2.8
163.07520	21.9
164.07913	0.8
165.05464	4.3
167.07011	1.8
167.08322	0.3
175.03981	0.4
176.04204	0.4
179.01558	0.6
179.07066	0.7
180.07806	48.8
181.04959	0.5
181.08179	1.2
191.10725	0.3
195.10156	100.0
196.10495	3.4
207.06506	1.3
208.06900	0.7
213.11154	2.2
221.08130	0.5
235.16861	0.8
253.14339	12.4
254.14627	0.6
283.09021	0.4
325.08630	0.4
353.15091	0.4
410.99850	0.3
594.26123	1.8
595.23224	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	594.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00962	0.4
53.03938	1.4
55.01873	1.7
55.05502	2.2
57.03435	2.3
57.07066	0.6
59.05000	5.9
61.02931	3.3
67.05501	3.9
69.03426	10.8
69.06763	0.4
69.07066	2.8
71.04987	3.9
73.02908	1.4
77.03940	0.4
79.05485	5.1
81.03422	6.3
81.06571	0.6
81.07054	12.6
83.04975	1.1
83.08618	0.8
85.02902	38.5
85.06534	0.6
85.09592	0.5
86.03251	0.6
87.04457	1.6
91.03963	1.7
91.05492	3.8
91.51003	0.4
93.07043	8.9
95.04961	1.9
95.08605	14.1
97.02898	11.5
97.06519	1.8
97.10165	0.9
99.04459	4.4
99.08092	0.8
103.03911	0.8
105.07027	11.6
107.08596	13.8
109.02881	4.6
109.06516	3.2
109.10163	2.7
111.04468	0.7
111.08107	1.5
113.05988	0.6
115.03925	0.9
117.07018	1.7
119.08586	6.4
121.06490	3.1
121.10140	7.7
123.04382	2.5
123.08056	3.5
123.11700	5.3
124.04737	0.6
125.05994	0.5
125.09630	7.0
127.03030	0.8
127.03913	10.8
127.07602	0.9
131.08539	2.6
132.04466	5.6
133.06528	0.5
133.09189	0.7
133.10133	9.1
135.04411	0.6
135.07999	1.2
135.11678	1.8
137.05962	0.6
137.09624	1.7
137.13234	4.0
139.03908	3.2
139.11200	2.7
140.04260	1.1
141.09108	4.4
142.07780	0.5
143.08556	1.2
143.10698	1.1
144.09253	0.5
145.04959	15.9
145.10112	4.1
147.08067	0.6
147.11688	12.1
147.12859	0.8
149.09618	2.3
149.13254	1.7
151.03914	3.7
152.04250	1.1
157.10094	1.4
159.11707	4.0
160.03896	0.5
161.09547	1.0
161.13277	0.6
163.03920	0.6
163.06010	8.4
163.11180	6.6
164.11484	0.5
165.05540	0.6
165.12755	19.8
167.10678	3.6
169.08635	3.6
171.11755	1.0
173.09587	0.7
173.13231	0.8
175.11203	1.1
177.12729	1.7
177.87042	0.5
178.04993	52.8
179.05418	2.1
179.06787	0.5
181.12253	1.3
183.13806	24.3
184.14160	1.0
185.11783	0.6
187.11124	0.5
189.05305	0.8
189.12766	1.1
189.16373	1.7
191.10701	4.7
199.14803	1.8
206.04488	100.0
207.04779	3.9
207.13809	0.7
209.11736	1.5
211.66541	0.6
217.15887	6.6
226.87555	0.4
227.12733	3.9
235.16930	12.7
236.17160	0.5
251.86270	0.5
273.14755	0.9
289.06741	0.6
289.09543	0.7
290.07330	1.0
291.08395	0.5
291.15833	1.3
292.09088	0.6
292.16260	0.5
293.97958	0.5
302.07144	0.5
303.08496	0.7
304.09006	1.0
309.16904	2.0
325.11298	2.0
327.17963	6.9
345.18936	1.6
353.15930	1.0
371.16962	0.9
397.22241	1.1
442.12167	1.1
594.22217	6.0
595.22382	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.8
55.01864	2.8
55.05510	5.0
57.03439	6.3
57.07064	2.6
57.69113	0.7
59.05001	15.4
61.02927	7.8
67.05502	8.3
69.03065	1.4
69.03429	25.1
69.07068	4.4
69.19380	6.9
71.04991	6.4
72.96729	1.0
73.02921	4.6
79.05491	8.9
81.03421	8.3
81.07053	26.3
83.04977	2.0
83.08624	3.1
85.02907	100.0
85.06545	1.4
86.03236	1.5
87.04458	3.2
89.70350	0.8
90.13006	0.8
91.03974	5.4
91.05475	8.7
93.07037	13.1
95.04958	2.6
95.08605	35.3
96.08937	1.1
97.02890	27.9
97.06543	2.9
97.10148	1.2
98.03229	1.0
99.04463	8.0
99.08105	1.0
103.03958	1.9
105.07029	20.0
106.07345	0.7
107.04958	1.5
107.08598	23.1
108.08977	0.8
109.02883	10.1
109.06518	4.1
109.10129	5.3
113.09669	1.3
115.03954	1.0
117.05436	0.8
117.07013	2.2
119.08582	14.5
120.08884	0.9
121.06502	1.4
121.10148	12.0
123.08070	9.6
123.11695	12.1
125.09635	16.7
127.03916	27.1
128.04274	0.9
129.07024	1.1
131.08556	6.0
133.06502	0.8
133.10129	25.6
135.08099	1.3
135.11693	2.1
137.05959	1.2
137.09624	2.9
137.13252	8.2
139.11215	6.6
141.09094	10.9
142.07813	0.8
143.08536	2.6
143.10687	4.2
145.04959	42.3
145.10136	5.3
146.05344	0.9
147.04428	1.1
147.11685	24.4
149.09625	1.7
149.13268	1.8
157.10141	3.2
159.07985	1.1
159.11673	8.6
161.09668	1.4
161.13286	1.5
163.06024	24.7
163.11220	2.8
165.12750	48.9
166.13103	2.2
167.10684	2.9
171.11717	2.3
173.09729	0.9
173.13260	1.9
175.11223	1.4
175.14850	1.5
177.12782	4.2
183.13799	66.2
184.14146	2.5
185.09691	0.9
185.11703	2.0
189.09215	0.9
189.12740	1.9
189.16341	5.6
195.13776	1.1
199.14830	5.0
207.06508	1.6
207.13799	1.8
217.15895	13.8
231.13799	0.8
235.16907	26.0
235.19154	1.5
236.17223	1.5
243.13814	0.9
249.15007	0.9
250.70084	0.9
273.14780	2.3
289.09055	1.9
291.15848	4.3
309.17020	5.1
325.11252	9.5
327.17984	23.6
328.18350	1.1
345.19113	4.6
361.19940	1.4
379.21075	1.4
397.22064	1.6
425.78992	0.8
594.22345	2.6
595.22638	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.144
Annotation	CHEBI:75670
Peak:m/z	Relative Intensity
55.01865	1.5
65.03929	2.2
67.05495	0.8
68.99791	6.9
69.56499	1.7
69.56915	2.7
77.03920	0.7
79.05498	0.7
81.03420	3.9
90.40429	0.7
93.03398	0.8
95.04974	1.7
98.23229	0.8
99.04469	0.9
105.03421	1.0
107.04931	2.8
109.02911	3.5
111.00803	4.4
111.04446	1.9
115.05450	1.2
119.04920	1.9
121.02825	1.0
123.03509	1.7
123.04418	31.9
127.03905	100.0
128.04250	1.2
131.04919	1.4
133.02850	2.1
135.04414	18.0
137.02333	0.8
139.03891	82.6
140.04240	2.5
145.06558	0.8
147.04398	8.1
149.02328	2.8
149.05997	1.3
151.02682	1.0
151.03894	19.4
153.01825	1.6
155.03517	1.0
155.04840	0.8
157.06496	0.8
159.04385	2.7
161.06010	2.3
163.03889	21.5
165.05489	5.4
167.03395	6.5
169.06458	0.9
173.06010	2.3
175.03894	9.7
175.11823	0.8
177.05510	4.1
179.03366	18.5
181.04958	2.4
185.06001	1.8
187.03899	2.8
189.05496	3.0
191.03368	12.2
193.05008	4.4
197.05966	1.7
199.03976	1.0
201.05464	5.7
203.03369	16.3
203.05249	1.3
203.07005	1.7
204.03683	0.8
205.04939	1.7
207.06496	0.9
208.96956	0.7
213.05479	4.0
215.03337	1.5
215.07047	1.4
217.04921	2.9
219.06541	1.5
225.05502	0.8
229.04947	6.7
231.06453	2.6
233.04445	7.6
241.04936	1.9
243.06551	2.4
245.04466	9.9
247.06021	16.8
251.05545	1.1
252.97212	9.8
252.99995	1.0
253.00684	0.9
253.02942	1.0
253.81339	0.7
255.06577	1.3
257.04416	12.0
258.04987	1.2
259.05984	5.8
263.05499	6.0
269.04428	3.1
271.06009	8.1
273.07910	0.8
275.05444	19.3
283.05984	4.1
287.05475	35.2
288.05734	2.4
289.07037	5.9
291.08594	8.9
299.05463	10.3
301.07053	7.5
303.08685	1.1
305.06561	6.2
307.08017	2.0
311.05475	0.8
312.98077	7.7
317.06528	7.0
319.08322	0.8
324.98087	3.8
365.10608	1.5
409.09091	11.3
410.09299	1.2
415.01212	1.0
425.08636	10.3
427.10303	4.0
439.10043	1.0
443.09781	3.9
451.10040	1.5
523.28815	1.0
544.58020	0.7
586.92432	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1441
Annotation	CHEBI:75672
Peak:m/z	Relative Intensity
51.02369	0.9
53.03921	1.4
53.47600	0.9
55.01861	2.2
63.22052	0.7
65.03925	2.0
67.05507	1.6
68.99791	5.8
69.33199	6.5
77.03942	1.9
79.05505	1.6
81.03410	2.0
85.02916	1.3
93.03378	1.0
95.04971	2.5
96.19445	0.9
98.23304	1.8
103.05441	1.1
105.03363	1.3
107.04955	6.1
109.02869	3.4
111.00784	3.4
111.04443	3.7
117.03363	1.4
119.04878	0.9
121.02853	2.5
123.04422	62.8
124.04751	1.6
124.76497	1.0
127.03907	80.9
128.04268	2.3
129.07037	1.0
131.04903	2.2
133.02812	2.3
135.04399	36.7
136.04716	0.8
137.02327	3.3
139.03894	100.0
140.04257	2.9
141.07054	1.2
145.02893	1.4
145.06491	1.9
147.04428	4.2
149.02318	3.8
149.05980	2.5
151.03891	12.3
153.01820	1.5
153.05539	0.9
155.04910	1.1
159.04402	5.6
161.05901	4.3
163.03896	47.4
164.04312	0.8
165.05478	1.5
167.03374	6.0
169.05074	2.1
169.06436	2.0
171.04356	1.0
173.05980	2.6
175.03896	7.1
177.04172	1.1
177.05464	6.4
179.03384	9.1
181.04950	7.2
181.06424	1.6
183.04401	1.1
185.05981	2.3
187.03841	6.0
189.05348	4.3
191.03398	8.8
193.04964	8.6
195.06560	1.1
197.06015	3.0
198.30110	0.9
201.05473	6.5
203.03372	16.1
203.06978	2.8
205.04935	4.5
213.05467	3.8
215.03488	1.5
215.06960	2.8
217.04921	4.2
219.06564	1.8
225.05597	1.2
229.04927	9.8
231.06496	2.3
233.04482	4.4
237.05334	1.2
241.04968	3.4
243.06482	4.7
245.04465	15.3
247.06024	23.5
253.05013	1.2
255.06444	4.5
257.04443	22.7
258.05045	3.5
259.05966	6.2
269.04407	3.4
271.05981	17.0
272.06131	1.0
275.05484	18.6
283.05966	8.1
285.07443	2.1
287.05484	41.8
288.05856	2.1
289.07019	12.3
295.06009	1.5
299.05515	12.5
301.07086	14.7
303.04889	1.2
307.08197	4.8
311.05530	2.4
313.07007	2.5
319.08035	2.3
405.82306	0.9
409.09158	16.3
425.03214	1.6
425.08630	22.9
426.08920	1.8
427.10260	6.3
430.51541	1.1
437.08655	2.4
443.09668	3.4
451.09973	5.7
455.09665	3.8
595.19513	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	595.1441
Annotation	CHEBI:75670
Peak:m/z	Relative Intensity
52.97347	0.5
55.01862	2.1
65.03938	0.8
68.99779	5.8
69.00093	0.6
69.64591	0.6
69.64874	3.2
81.03421	3.6
89.03902	0.8
91.05457	0.7
92.94075	0.5
93.03413	0.7
95.04980	1.0
98.22659	0.7
99.04431	1.2
107.04964	3.4
109.02888	3.4
111.00829	3.8
111.04445	1.8
117.03377	0.9
119.04975	1.4
121.02847	1.5
123.04424	26.3
127.03909	100.0
128.04263	2.1
131.04903	1.2
133.02846	1.3
135.04405	19.4
136.04710	0.8
137.02350	1.6
139.03894	74.5
140.04230	1.7
145.06461	0.8
147.04388	5.5
149.02336	3.5
149.05949	1.6
149.76331	0.5
151.03900	18.3
152.04230	0.7
153.01834	0.8
153.06990	0.7
155.04962	0.7
157.06471	1.0
159.04355	2.8
161.02335	0.8
161.05981	1.9
163.03896	25.9
163.05281	1.3
165.05446	4.3
167.03433	6.2
168.03761	0.5
169.04968	0.9
169.06429	1.6
173.05965	1.6
175.03885	8.0
177.05441	4.9
179.03392	17.5
180.03813	1.0
181.04956	2.3
181.06490	1.1
183.04366	1.5
185.05937	0.8
187.03854	3.8
189.05487	2.9
191.03386	11.8
193.04947	4.3
197.05983	2.5
199.03862	1.0
201.05508	6.0
203.03368	12.3
203.07164	0.6
205.03291	0.6
205.04958	3.5
207.06586	0.7
213.05450	3.1
215.03392	1.2
215.06961	1.0
217.04968	3.3
219.06508	1.2
221.04312	0.7
225.05371	1.5
227.03433	0.9
229.04944	7.3
230.05388	0.8
231.06496	1.9
233.04440	5.9
241.04984	1.9
243.06508	3.1
245.04425	7.1
247.06015	17.1
247.08536	1.1
248.06367	0.9
251.05473	1.5
253.05115	0.8
257.04434	10.8
258.05148	0.8
259.05972	4.8
263.05490	5.1
269.04385	3.3
271.06015	9.7
273.07617	1.4
275.05475	18.0
276.05792	1.7
281.04337	0.6
283.05936	4.5
287.05484	31.8
288.05817	1.9
289.07056	7.8
290.07224	0.7
291.08594	5.2
299.05453	11.0
300.05591	0.7
301.07117	7.5
303.08868	0.9
305.06506	3.2
307.08163	4.0
311.05481	1.0
317.06540	7.9
318.07034	0.8
319.08200	0.8
355.59543	0.6
356.99704	0.7
407.07678	1.3
409.09198	9.7
410.09598	1.0
425.08658	8.3
426.08752	0.9
427.10211	3.4
443.09772	4.1
451.10471	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1445
Annotation	CHEBI:75672
Peak:m/z	Relative Intensity
55.01875	1.8
59.75539	0.5
65.03944	0.9
67.05480	0.9
68.44738	0.6
68.99786	6.8
69.20346	3.5
69.20756	1.7
74.18706	0.5
81.03410	3.8
85.02912	0.9
95.04949	1.5
97.06555	0.6
99.04457	1.1
104.83000	0.6
105.03390	0.6
107.04958	4.3
108.25069	0.6
109.02882	4.2
109.03513	0.8
111.00828	3.7
111.04433	2.4
115.05462	0.7
117.03352	1.1
117.07026	0.8
119.04974	1.3
121.02859	1.9
123.04428	27.1
124.04752	0.8
127.03917	100.0
128.04280	2.0
131.04932	2.5
133.02849	0.8
133.06538	0.7
135.04417	31.2
137.02353	4.4
137.05952	1.2
137.10887	0.7
139.03903	88.7
140.04251	2.4
141.07011	0.7
143.04922	1.0
145.06509	1.4
147.04405	4.5
149.02342	3.0
149.06015	1.3
151.03911	15.1
153.01823	1.0
155.03487	0.7
155.04869	0.7
157.06375	0.8
159.04411	3.6
161.05992	2.4
163.03906	35.0
164.04269	1.0
165.05510	2.7
167.03413	6.1
169.05000	1.2
169.06487	2.6
173.05992	3.4
175.03909	4.4
177.05484	4.4
178.90605	0.7
179.03397	11.1
181.04996	3.8
181.06445	0.7
183.04424	1.1
185.05934	1.3
187.03856	5.8
188.07115	1.3
189.05511	2.4
191.03395	10.4
193.04970	3.5
195.06476	1.1
197.05986	2.2
199.03995	0.8
201.05466	6.5
203.03372	7.9
203.07054	1.7
205.04919	2.8
213.05530	2.0
215.03419	2.1
215.07045	3.0
217.05006	2.5
219.06487	0.8
225.05481	1.3
229.04979	7.5
231.06558	1.2
233.04393	4.5
241.05037	2.3
243.06458	3.6
245.04425	6.9
247.06020	30.4
248.06349	1.4
251.05617	1.7
253.04970	1.4
255.06483	1.7
257.04456	9.8
258.05090	1.2
259.05997	7.3
263.05359	1.3
269.04471	2.1
271.06018	14.0
272.06473	0.7
273.07800	0.7
275.05481	15.1
276.05844	0.8
283.06000	9.8
287.05481	22.0
288.05917	1.0
289.07016	11.3
291.08597	4.0
299.05576	4.4
301.07068	13.0
301.10370	1.1
305.06689	1.5
307.08136	5.9
308.08395	0.7
317.06760	1.2
319.08023	0.7
373.09027	0.9
407.07623	1.6
409.09171	10.2
410.09274	1.1
425.08707	6.3
427.10153	6.5
433.11063	1.4
443.09778	3.9
451.10165	1.4
595.19537	2.0
600.94452	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.6
53.03930	0.7
55.01872	0.9
66.34465	0.5
67.01871	0.5
67.05502	0.9
67.69452	0.4
68.99787	5.9
70.36395	1.4
77.03918	0.6
81.03421	3.3
91.05447	0.5
95.04963	0.8
98.23260	0.4
99.04451	1.5
99.54070	0.4
105.03374	0.9
107.04920	0.8
109.02872	3.5
111.00790	6.2
111.04417	1.6
115.05441	0.5
119.04938	2.0
121.02849	1.3
123.04424	25.7
124.04711	0.5
127.03910	100.0
128.04266	1.2
131.04935	0.6
133.02829	1.5
135.04407	2.3
137.05907	0.7
139.03897	55.1
140.04236	1.7
145.06465	0.6
147.04399	10.6
149.02307	2.1
149.05914	0.5
151.03897	23.1
153.01804	0.9
155.03395	1.0
157.02837	0.5
157.06442	0.6
159.04399	1.8
161.05971	2.0
163.03911	6.5
165.05476	5.8
167.03380	3.9
169.06413	0.6
171.04396	1.0
173.05952	0.9
175.03908	14.2
176.04385	0.8
177.05476	4.3
179.03387	29.8
180.03740	0.9
181.04968	1.4
183.04451	0.9
185.05971	1.9
187.03896	1.2
189.05481	3.5
191.03365	9.5
193.04950	2.9
197.05966	0.6
199.03876	2.1
201.05484	3.6
203.03387	21.5
204.03690	0.9
205.04991	1.5
207.06561	1.2
213.05463	4.8
215.03311	1.0
215.07002	0.6
217.04933	3.7
219.06549	1.2
221.04579	0.5
225.05339	0.5
227.03308	0.8
229.04926	3.8
231.06523	2.6
233.04459	5.2
241.02780	0.5
241.04886	2.7
243.06493	0.6
245.04449	7.9
247.06035	2.6
251.05464	0.9
257.04437	10.0
258.05042	0.9
259.05991	3.4
263.05524	6.1
269.04462	3.6
271.06085	2.2
273.07620	0.8
275.05484	18.4
276.05978	0.7
281.04697	0.5
283.06161	0.8
287.05484	45.1
288.05832	2.5
289.07053	0.7
291.08612	11.7
292.09073	1.0
299.02115	0.7
299.05478	11.7
300.05957	0.6
301.07050	0.6
303.08752	0.5
305.06528	8.4
311.05490	0.7
317.06500	7.9
325.06967	0.4
409.09222	5.3
418.62524	0.5
421.66330	0.5
425.08664	10.7
426.09122	0.9
427.10178	2.8
443.09702	3.1
451.10510	0.7
529.77917	0.4
582.19025	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97248	0.3
58.60345	0.3
60.54910	0.3
71.34011	0.5
79.05496	0.8
91.05494	1.4
95.05051	0.3
95.08617	0.6
101.07065	0.3
103.05464	0.6
105.07085	0.4
107.04973	0.8
114.88569	0.3
119.08553	0.4
121.06546	0.6
123.04479	0.4
123.65810	0.3
124.05236	0.3
131.04965	1.1
133.06467	0.5
137.05972	0.7
145.10179	0.4
147.04457	0.4
148.05251	0.4
151.04015	0.6
151.07628	0.4
158.06874	0.3
159.04259	1.1
163.03894	0.4
165.05530	0.8
167.07034	3.4
173.09576	0.4
177.05508	0.4
181.04971	3.7
181.06445	0.5
181.08606	0.9
189.05228	26.8
190.05646	0.7
198.06767	0.6
202.06152	0.7
203.06786	6.9
203.08545	0.6
204.07547	2.6
205.08621	0.5
207.06296	0.4
210.06853	0.4
211.07545	0.4
213.05507	0.4
213.09143	0.6
216.07663	1.4
217.08377	6.9
225.05534	0.9
226.06313	1.4
230.09261	0.4
232.07062	0.7
233.07950	1.1
239.07066	0.7
240.07748	0.7
241.08603	4.5
243.06660	1.0
250.06377	0.4
253.04999	0.7
254.05695	0.6
255.06552	0.8
257.08139	0.9
268.07492	0.5
269.08087	2.0
270.09048	0.4
271.05969	2.6
285.07562	2.2
286.08209	2.6
287.05426	0.4
297.07568	0.5
299.05753	0.4
300.09866	0.8
301.10620	1.8
311.08902	0.6
314.07993	0.6
315.08810	0.7
327.03610	0.4
329.10184	19.1
330.10648	1.3
346.47266	0.3
353.13876	0.5
355.11902	0.4
369.13385	0.9
383.14545	1.6
385.12390	0.5
385.16602	1.1
397.16330	3.5
399.14026	1.9
413.15839	0.7
414.16489	6.7
415.17334	1.2
416.14523	1.6
417.14996	0.6
443.73984	0.4
595.25116	100.0
596.25482	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	595.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19112	2.6
54.84109	3.0
55.01878	3.2
55.05486	4.8
60.62616	3.0
65.03938	4.1
67.05508	6.2
69.21157	3.1
69.65073	11.7
69.65485	4.3
71.04333	2.7
76.09359	3.1
79.05494	6.7
81.07050	11.3
87.24771	2.8
91.05480	11.5
93.07043	12.2
95.04954	3.2
95.08610	8.2
103.05436	4.1
105.07030	7.3
107.04870	2.7
107.08599	4.8
109.10139	3.3
110.03625	6.8
111.04432	5.2
112.84800	3.0
115.05397	2.9
121.06510	3.9
121.10111	5.9
125.06002	4.7
128.06232	4.1
129.06973	3.9
135.11649	4.0
143.08566	8.5
145.10129	8.1
149.05925	3.4
153.04361	2.8
153.05490	13.9
153.06837	2.7
158.07274	8.9
163.07555	4.3
167.06966	3.9
171.08006	8.3
173.09608	15.4
177.05507	3.8
181.04939	10.8
181.08607	16.3
188.08313	15.8
189.10945	3.1
191.06953	4.3
193.08575	4.4
201.09126	14.8
203.07050	8.5
203.10661	12.7
209.07971	4.4
217.08609	52.3
218.07251	4.9
231.07999	3.6
231.10120	45.2
232.08760	6.0
232.10918	65.4
233.09525	8.4
233.11626	5.8
235.07413	4.6
249.09006	3.8
250.09885	8.1
251.10550	2.9
260.08243	3.4
261.09039	12.2
263.07053	4.2
263.10703	4.1
264.07831	3.8
265.12271	8.3
267.10025	3.1
270.08716	3.6
277.08582	9.0
278.09375	13.5
279.10144	8.6
285.11240	10.8
292.10764	5.7
293.11618	23.3
295.09714	7.5
306.08902	4.6
307.09671	4.4
310.11932	5.5
321.11148	24.7
322.11588	3.4
323.09140	9.4
325.14386	13.7
329.10168	4.5
335.12802	3.4
338.11481	7.4
353.13809	100.0
354.14182	6.1
385.16406	34.9
386.17050	4.2
595.32513	42.0
596.32349	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	595.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45258	0.8
53.03946	2.5
55.01869	3.0
55.05511	3.2
57.03436	1.6
57.07070	1.2
59.04982	1.4
65.03936	1.0
67.05503	5.0
69.03429	53.6
69.07066	3.4
69.24796	5.7
70.03777	1.0
71.04996	6.2
77.03944	1.2
79.05488	16.2
81.07056	5.5
83.01340	2.1
83.04986	3.1
85.06543	1.5
87.04456	0.9
90.12483	0.7
91.05473	18.0
91.05983	1.4
93.07042	30.6
95.04980	7.5
95.08583	4.2
97.06543	5.3
103.05504	1.3
105.07033	12.3
107.04954	8.4
107.08593	12.1
109.06519	4.8
109.10167	2.4
111.08067	1.2
113.06005	7.7
115.05450	1.4
116.06274	1.9
117.07031	3.3
119.08597	8.4
121.06503	24.3
121.10151	16.3
123.04433	1.4
123.08048	4.9
123.11736	1.1
125.09616	1.5
129.07008	2.3
129.73776	0.7
131.08562	14.0
131.80542	0.8
133.06482	1.7
133.10110	5.7
135.08026	4.8
135.11688	3.3
137.06001	5.9
137.09613	6.1
139.03937	1.7
139.11174	5.2
141.05458	2.5
141.06967	1.0
143.08560	2.4
145.06491	2.3
145.10147	2.4
147.08061	2.8
147.11774	1.0
149.09615	71.6
150.10088	2.7
151.07567	3.1
151.11226	2.2
151.56985	0.7
153.05469	10.2
153.56789	0.8
155.07111	2.1
155.08578	1.9
157.04955	0.8
157.10091	1.9
159.08066	2.3
159.11740	1.8
161.09654	1.9
163.07550	5.9
165.05466	1.2
165.09108	12.6
167.07095	1.5
167.10695	3.3
168.09334	0.9
169.08679	0.9
171.08057	1.2
171.11707	1.3
172.08902	1.4
173.09691	1.2
173.13312	2.0
175.07526	7.0
175.11180	1.4
177.05498	0.9
177.09120	1.5
177.12764	1.0
178.06268	2.1
179.07011	1.3
181.08603	2.7
181.65013	0.8
183.10201	1.4
183.11676	1.5
185.13219	1.0
187.07559	5.0
187.11221	2.2
189.09119	1.5
191.07045	6.5
191.10609	1.3
191.14307	1.5
192.07816	2.5
193.08600	39.0
193.10355	2.0
194.08957	2.2
195.10251	0.8
197.09637	1.7
199.11208	1.3
201.12758	2.5
203.07083	2.6
203.10576	1.1
203.14288	1.1
205.08598	20.0
206.08936	1.3
207.10245	2.1
207.13765	4.4
209.08015	5.3
209.15376	2.6
211.09637	100.0
212.10030	3.2
215.10632	1.0
217.08623	1.6
219.10144	1.4
219.13843	2.1
223.09669	3.5
225.12981	0.9
227.10614	1.1
229.08646	1.7
229.12210	6.6
235.13350	3.3
237.11133	1.1
237.14828	14.7
238.15300	1.0
239.10593	3.7
241.12270	1.3
243.10181	1.4
243.13869	1.1
245.11809	2.1
247.09669	1.2
247.13297	6.0
253.12279	2.4
255.10242	1.2
257.11713	7.6
259.13315	3.0
263.12769	2.6
265.14374	8.8
270.12076	1.2
271.13199	8.7
273.11230	2.6
273.18484	0.8
275.12781	9.1
279.12247	1.4
289.14310	16.7
290.14697	1.3
295.17242	0.9
299.12836	1.0
299.16315	1.0
308.77054	0.9
323.16449	3.6
325.18253	1.1
327.15930	1.7
329.17496	1.6
331.19086	0.9
341.17435	15.2
343.18921	1.8
355.22672	1.2
359.18506	21.6
360.18726	1.9
385.16406	1.2
395.22018	1.5
411.21646	1.0
413.23215	8.4
419.21744	0.9
420.22186	1.3
421.22775	1.9
427.21494	1.1
429.22662	27.3
430.22812	2.8
432.18805	1.4
433.19327	2.6
435.24530	1.5
441.23071	1.2
445.22281	1.5
446.20645	1.3
447.23526	4.2
448.21991	1.6
449.22430	1.5
460.22128	1.3
461.22546	1.0
462.23074	2.9
463.23480	1.1
489.26099	1.1
507.27386	3.5
511.27084	1.5
519.81287	0.9
525.28351	6.7
535.26117	7.8
562.26654	1.0
577.31683	6.1
595.32251	33.0
596.33594	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	595.3602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	1.0
56.59361	0.4
57.07067	0.7
67.05495	2.2
69.07053	0.7
69.27541	1.1
69.27953	2.0
70.06593	0.8
79.05492	1.4
81.07061	2.4
83.01066	0.6
83.08619	1.0
86.57102	0.4
88.07633	0.9
91.05471	0.9
93.07036	2.3
95.08599	3.0
97.10201	0.5
99.66500	0.4
105.07030	1.6
107.08597	2.3
109.10155	1.5
111.08048	0.5
119.08602	1.6
120.34982	0.5
121.10146	2.1
123.11703	0.6
131.08582	0.9
133.10173	1.8
135.11716	1.0
144.89418	0.4
145.10129	1.5
147.11723	0.8
149.13306	0.6
157.10194	0.6
159.11652	1.0
161.13278	0.6
173.13229	0.5
175.14822	0.8
187.14795	0.6
189.16428	0.8
201.16396	1.2
215.17903	0.7
265.00641	0.5
276.39548	0.5
283.01926	1.0
313.27750	0.5
396.73300	0.4
415.22269	0.8
535.33820	1.5
551.36932	1.0
574.55328	0.5
577.27917	0.4
577.46484	1.6
595.36041	100.0
596.36407	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	595.3603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.3
55.05506	0.6
56.20785	0.3
62.36502	0.2
67.05504	1.3
69.05902	2.8
69.07058	0.6
79.05486	1.4
81.07057	1.7
82.07376	0.3
83.08623	0.3
91.05483	0.9
93.07008	1.3
95.05002	0.3
95.08594	1.6
97.10208	0.3
105.07047	0.8
107.08595	1.1
109.10191	0.8
111.40885	0.2
119.08582	0.6
119.66067	0.3
121.10107	0.7
131.08507	0.4
133.10135	0.7
135.11716	0.7
143.08609	0.3
145.10089	0.3
147.11736	0.3
159.11731	0.7
161.13182	0.3
173.13322	0.3
188.82835	0.3
189.16470	0.4
200.83549	0.3
535.33942	1.7
536.33661	0.3
551.36871	0.4
595.35980	100.0
596.36322	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	595.3602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.2
57.03811	0.3
57.07082	0.5
63.51899	0.4
64.97076	0.3
67.05502	2.3
69.07073	0.8
69.56527	1.2
69.56933	0.6
74.24015	0.3
79.05482	1.3
79.05930	0.4
81.07058	2.5
83.01077	0.7
83.08614	0.5
85.10204	0.3
88.07638	0.6
91.05492	1.0
93.07039	1.6
95.05022	0.3
95.08619	2.2
98.22639	0.7
105.07027	1.5
107.08558	1.9
109.10150	1.0
112.06606	0.3
117.07106	0.3
119.08556	1.9
119.36012	0.3
121.10178	1.5
123.11724	0.6
125.09650	0.5
131.08588	0.6
133.10136	1.3
135.11737	1.0
135.62877	0.3
143.08540	0.4
145.10121	1.1
147.11690	0.7
147.16302	0.3
149.13261	0.3
159.11719	1.1
161.13315	0.6
163.14861	0.4
173.13266	0.3
175.14864	0.7
184.50708	0.3
187.14825	0.6
189.16393	0.9
191.17911	0.4
201.16373	0.7
213.16418	0.4
215.18063	0.5
256.26392	0.9
257.26843	0.3
265.01099	0.4
283.01971	1.2
304.48096	0.4
313.27576	0.5
360.63583	0.3
415.22357	1.1
521.11340	0.4
535.34015	1.3
551.37036	0.9
577.46735	1.6
595.36047	100.0
596.36298	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	595.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40191	0.5
50.87044	0.6
51.02385	0.7
53.03944	5.9
55.01873	0.8
55.05504	3.3
57.07074	8.4
61.17147	0.6
65.03947	1.5
67.05503	3.4
68.99788	0.8
69.03425	2.1
69.07058	2.6
71.04999	0.8
77.03920	1.2
79.05493	26.6
81.03420	0.6
81.07047	3.3
83.01333	1.2
83.04974	0.9
85.06548	5.6
91.05479	20.7
93.07043	53.6
94.07375	1.2
95.04971	6.3
95.08596	1.9
97.06535	1.4
99.79948	0.7
105.04487	3.4
105.07023	6.3
107.04990	1.1
107.08590	37.9
108.08908	0.7
109.06509	3.6
109.10187	1.0
119.06079	1.1
119.08554	1.8
121.06454	1.2
121.10139	3.5
123.04422	1.2
123.08098	1.0
123.11719	0.9
131.08536	1.3
133.10126	1.9
133.25946	0.7
135.08054	1.1
135.11690	38.2
137.05994	8.2
137.09596	0.7
139.03958	0.7
139.11185	4.4
141.05470	6.4
143.08540	0.8
143.48729	0.6
147.11649	0.7
149.09599	2.7
149.13239	0.6
150.10425	0.7
153.05467	31.7
154.05804	1.5
162.06750	0.6
163.03937	0.9
163.07535	1.3
165.05499	8.7
165.09103	1.7
167.03360	1.1
167.07101	1.5
167.10675	2.0
169.04955	22.3
170.05385	1.0
173.13373	0.7
175.07613	0.8
177.05397	1.8
177.09082	1.8
179.07021	0.9
179.10674	1.8
182.84129	0.8
183.06525	1.8
189.08943	1.1
191.07034	1.4
191.10649	1.0
191.14323	1.0
192.07710	0.8
193.08612	5.6
195.10269	0.6
205.08607	3.8
206.09106	0.6
207.10173	8.4
208.10643	0.8
209.15414	1.6
211.09630	14.0
219.10175	4.4
223.09663	7.0
225.11208	100.0
226.11496	4.7
235.13445	0.7
237.11266	8.6
237.14848	11.1
238.15111	0.8
246.29729	0.6
251.16441	1.0
259.13293	1.3
261.14828	1.0
275.16400	23.5
276.16742	1.7
277.14551	1.1
279.15906	7.3
289.14407	0.9
329.21185	1.0
341.21155	1.1
345.20410	1.5
359.18292	1.0
359.22134	8.1
389.19507	1.1
399.18427	0.6
413.26926	1.2
415.25024	0.8
443.24261	16.0
444.24698	1.5
459.23737	1.8
461.25168	2.4
511.30350	1.2
595.10889	0.9
595.35956	12.3
596.36346	1.7
599.97186	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.4927
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22891	1.8
53.03951	5.5
55.05509	34.2
56.43323	1.7
57.03432	3.1
57.07075	9.6
65.03938	5.2
67.05501	92.1
69.06708	2.9
69.07065	42.1
71.04979	5.8
71.08629	3.5
73.71170	2.0
79.05491	45.3
81.07055	100.0
82.07384	3.2
83.04966	4.4
83.08616	23.5
85.06526	5.6
91.05464	27.6
93.07040	58.4
95.04961	4.2
95.08601	92.8
96.08945	3.7
97.06541	9.9
97.10155	15.4
99.08104	2.5
105.07042	15.5
107.08595	43.1
109.06562	3.3
109.10155	47.2
111.08076	7.1
111.11704	6.1
117.07044	3.6
118.81785	2.1
119.08578	19.5
121.10134	33.3
123.08071	3.8
123.11710	16.2
125.09616	2.8
129.06911	2.2
129.68282	2.1
131.08571	13.1
132.64587	2.1
132.94319	2.2
133.10101	13.1
135.11674	27.0
137.09607	3.3
137.13232	7.1
139.11140	5.1
145.10078	9.9
147.11703	13.9
149.13248	13.8
151.14819	4.9
153.05458	6.7
159.11700	7.0
161.13251	14.4
163.14832	6.5
165.12744	4.0
169.04866	4.6
173.13275	4.8
175.14771	5.1
181.15872	3.0
186.92099	2.2
187.14807	4.4
189.16432	3.3
193.08612	3.2
211.09558	3.0
223.09651	2.4
225.11214	21.7
243.21072	10.2
245.22652	3.5
261.22137	24.9
263.23621	9.9
275.16370	4.1
279.23184	67.5
280.23495	4.7
281.24689	3.3
297.24307	18.3
378.55783	2.1
443.24548	2.7
523.44849	6.8
541.46112	14.0
559.47095	10.2
577.47949	9.1
595.40546	10.9
595.48566	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	596.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.6
55.01845	1.7
55.05508	7.5
56.91718	2.0
57.07049	2.9
59.05003	2.9
61.02933	2.9
67.05490	5.7
69.03422	5.8
69.07044	5.3
69.74616	10.8
71.04993	33.5
74.95405	2.2
79.05491	18.0
80.91010	1.8
81.03431	2.7
81.07064	33.1
82.07382	2.2
83.04974	3.8
83.08634	5.4
83.76774	2.1
85.02916	22.2
85.06561	5.0
91.05479	22.8
93.07042	23.4
95.04974	3.4
95.08601	20.6
96.17162	1.9
97.02882	5.4
97.06541	4.2
97.10160	3.7
99.04432	2.5
99.08086	8.7
105.07033	55.5
107.08590	27.1
109.02896	3.1
109.06519	3.7
109.10151	13.8
111.08110	3.3
117.06981	5.0
119.08586	19.6
121.10144	16.9
123.11706	6.0
125.09630	37.6
126.03438	2.0
127.03939	7.1
127.07545	4.0
127.11197	9.7
131.08540	10.9
133.10130	89.6
134.10504	2.8
134.44382	1.9
135.11659	6.3
135.12680	1.7
142.21643	1.9
143.10680	81.1
144.11055	2.5
145.04947	5.9
145.10098	15.0
147.11687	27.1
149.13235	15.0
151.11177	5.8
155.16539	2.2
159.11716	10.4
161.13251	6.8
163.05977	4.9
165.12802	3.6
167.07080	2.2
167.14317	37.7
169.12259	6.0
173.13298	2.2
201.16393	19.3
203.17924	2.5
219.17448	100.0
220.17784	4.7
237.18488	19.2
465.31268	2.2
597.22345	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	597.1449
Annotation	Peltatoside
Peak:m/z	Relative Intensity
54.41594	0.2
54.97046	0.2
55.01870	0.2
57.03429	0.6
61.02926	1.0
65.03938	0.3
68.99793	0.2
69.03429	0.5
69.71445	0.9
70.06606	0.2
71.01328	0.4
73.02919	8.2
81.03420	0.4
85.02912	0.8
93.03403	0.3
97.02885	0.5
97.06547	0.3
106.60676	0.2
107.04903	0.2
109.02911	0.4
111.00784	0.7
115.03934	0.8
121.02858	1.1
123.04429	0.4
127.03925	0.3
133.04913	0.2
133.06485	0.2
135.04414	0.4
137.02347	3.6
137.05972	0.4
139.03915	0.2
143.05167	0.2
149.02408	0.3
153.01836	3.4
161.05981	0.2
163.03932	0.7
165.01817	1.8
166.02634	0.2
166.48709	0.2
173.06000	0.2
175.07414	0.2
178.36362	0.2
183.02916	0.5
187.03804	0.3
191.03345	0.2
195.02890	0.4
201.05475	1.3
213.05502	0.3
219.02890	0.3
219.06529	0.2
229.04971	3.8
230.05188	0.2
247.05920	0.8
257.04425	2.5
259.11096	0.2
274.04736	0.5
275.05338	0.2
285.03958	1.4
297.32019	0.2
303.04980	100.0
304.05319	5.0
345.05997	0.2
373.09192	0.4
374.09448	0.4
399.07211	0.4
425.94037	0.2
439.00955	0.2
451.12357	0.2
465.10287	9.7
466.10562	0.8
597.21387	0.2
623.01215	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1449
Annotation	Peltatoside
Peak:m/z	Relative Intensity
57.03439	3.2
57.03682	0.6
59.53038	0.4
61.02927	2.4
62.81797	0.3
69.03437	3.5
69.80112	0.3
70.46333	1.1
71.01333	0.4
73.02922	5.7
75.21883	0.3
78.77266	0.4
81.03419	0.5
85.02901	5.0
86.55553	0.4
87.04455	0.4
91.03940	1.3
91.89962	0.4
97.02896	4.7
105.07020	0.4
109.02877	0.9
110.23849	0.4
111.00797	0.5
115.03934	1.8
121.02879	0.8
123.04416	0.5
127.03906	1.2
128.12302	0.4
133.05051	0.8
137.02330	3.5
137.05939	0.5
139.03886	0.9
145.04977	1.7
149.02350	0.6
153.01823	4.0
163.03949	0.7
165.01834	2.0
173.06004	0.5
183.03014	0.7
187.03810	0.6
201.05431	1.4
229.04944	4.9
257.04449	2.8
274.04703	0.6
285.03922	1.6
303.04984	100.0
304.05353	5.0
315.04843	1.9
316.05768	0.5
327.05060	0.5
341.06644	0.5
345.06100	2.1
369.06079	1.5
447.09332	0.5
465.10071	3.7
534.00189	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2302
Annotation	Kadsuphilol C
Peak:m/z	Relative Intensity
58.54994	0.3
71.32603	0.4
81.03437	0.3
93.71124	0.2
107.04954	0.4
127.49683	0.2
131.42967	0.2
137.05968	0.6
159.04134	0.4
161.02180	0.3
163.03990	0.3
167.07138	0.4
171.39877	0.2
175.03645	12.3
176.04042	0.5
181.05026	0.4
188.04430	1.3
189.05307	0.4
202.06053	0.5
204.07626	1.6
217.08394	1.0
219.06230	1.6
255.30675	0.3
352.13104	0.4
385.12592	4.0
386.06262	0.3
399.14105	4.6
400.14526	0.3
401.15808	0.5
413.16113	0.3
549.20856	0.4
597.22992	100.0
598.23309	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	597.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.1
53.03936	2.6
55.01872	1.6
55.02451	0.6
55.05506	2.8
58.94435	0.8
65.03933	1.2
67.05503	3.9
69.07076	1.8
77.03933	1.2
78.04697	2.0
79.05489	8.8
81.03421	1.1
81.07054	5.0
83.08632	0.9
85.06533	0.7
91.05473	15.6
93.07043	10.0
95.04956	3.1
95.08610	4.8
97.06516	1.2
97.10142	1.2
100.32220	0.7
103.05466	11.9
105.07018	20.3
106.04175	1.7
106.07387	1.0
107.04951	16.8
107.08569	2.8
109.10133	2.5
115.05432	3.3
116.06169	0.9
117.07011	1.5
118.04153	2.7
119.04918	3.0
119.08538	1.9
120.05711	2.7
121.06493	13.0
121.10132	2.2
123.04434	6.0
123.08098	0.7
124.05186	3.3
125.05994	1.3
129.07005	0.7
131.04915	2.6
131.08575	1.5
132.05714	1.1
133.02815	1.1
133.06485	16.7
133.10085	1.2
134.07185	0.8
135.04359	0.9
135.08037	12.4
135.11679	1.6
137.05992	5.9
138.06755	1.1
143.06165	0.9
145.10126	1.0
147.04376	3.5
147.08032	1.3
147.11716	1.1
148.05154	2.1
149.05997	6.9
150.06802	3.4
151.03860	3.5
151.07553	1.2
152.04622	1.2
154.06223	2.1
159.11719	1.0
161.05974	8.3
161.09564	0.9
161.13220	0.8
162.06656	1.4
163.07527	12.5
163.11208	0.8
165.05467	2.6
165.09113	5.4
166.06241	5.2
167.07028	72.7
168.07387	1.8
175.07463	1.1
177.05453	3.4
177.09206	0.9
178.06288	1.0
178.09891	2.6
180.07837	1.0
181.05028	10.2
181.08583	82.8
182.08919	1.7
185.17810	0.7
191.07051	3.9
191.10695	1.3
192.07790	21.2
193.08591	100.0
194.08969	4.8
195.10153	31.8
206.09399	1.6
209.08075	11.2
210.08757	2.3
221.11700	20.7
233.11742	1.2
235.13261	1.0
282.08862	0.8
317.13620	0.8
403.17398	3.0
465.89093	0.8
494.33646	0.8
512.41095	0.8
574.36737	4.2
597.36676	11.4
597.47662	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
55.01858	0.4
55.29776	0.2
57.03428	0.5
57.05956	0.3
65.03934	4.3
67.01861	0.3
67.05497	2.2
69.03409	0.8
69.09747	1.5
69.10163	0.7
72.99637	0.2
77.03931	0.3
78.04703	0.4
79.05480	2.6
79.23509	0.2
81.07049	0.4
82.04200	1.5
85.02890	2.7
91.05470	1.7
93.03377	1.1
93.07037	0.8
95.04932	1.1
97.02898	0.4
97.06540	1.4
103.05463	1.7
105.04471	0.3
105.07028	2.2
107.04948	17.2
107.08586	0.5
108.02080	0.8
110.03671	2.2
111.04424	0.8
114.03089	0.3
115.05428	1.1
117.07024	0.6
119.08588	0.3
120.05724	0.6
121.06458	0.6
123.00807	0.4
124.05218	0.5
125.06002	1.6
129.07042	0.5
131.04861	0.4
133.06462	0.3
135.08043	5.7
137.05940	0.3
138.03105	1.0
139.03859	0.5
142.02594	2.0
143.08472	0.3
145.07573	0.3
147.04396	0.5
148.05110	0.3
153.05434	1.2
154.06224	1.1
157.06500	0.3
161.09595	1.0
163.07539	7.0
166.02589	0.6
167.07039	9.7
171.06541	2.3
171.07831	0.4
174.06725	0.5
175.07558	0.3
180.06419	0.3
180.07751	1.6
181.04942	100.0
182.05309	2.7
189.09070	2.4
192.07843	0.3
195.10155	36.7
196.10529	1.2
217.08563	0.6
221.11673	2.6
235.09496	0.4
249.11215	4.7
249.29593	0.2
337.27286	0.7
364.53256	0.3
403.17496	18.8
404.17633	1.5
412.13892	0.3
574.35828	0.3
597.33075	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72305	1.1
53.03942	2.4
55.01871	2.6
55.05515	2.7
64.77798	0.9
65.03951	3.7
67.05505	8.4
69.07074	2.2
71.05014	1.0
76.45109	1.1
78.04716	2.0
79.05490	11.3
81.03420	1.4
81.07062	5.6
83.08644	1.9
85.02917	2.4
91.05480	19.3
93.07042	13.3
93.90434	1.1
95.04959	5.6
95.08593	6.3
97.06532	1.8
97.10241	1.3
103.05457	15.8
105.04514	1.3
105.07021	27.6
107.04955	36.9
107.08629	3.1
109.02888	2.2
109.10168	2.6
110.03650	2.4
111.04492	1.2
115.05466	5.3
117.07047	3.3
118.04154	3.1
119.04948	3.7
119.08582	3.1
120.05752	3.0
121.06500	17.5
121.10153	1.5
123.04408	5.6
124.05199	6.6
125.06020	2.4
129.06976	2.0
131.04955	4.6
131.08597	2.2
132.05742	1.9
133.06482	19.0
133.10106	1.9
135.04414	1.9
135.08055	16.9
135.11676	1.2
137.05981	6.7
137.09650	1.0
143.08549	3.3
144.05731	1.3
145.10165	3.6
147.04424	3.3
147.08087	2.5
148.05197	2.6
149.05974	7.6
150.06783	3.7
151.03923	4.3
151.07562	2.3
152.04689	5.4
154.06238	3.9
158.07297	2.4
161.05975	11.5
161.09673	1.4
163.03929	1.2
163.07536	25.6
164.08032	1.3
165.05533	2.4
165.09094	6.9
166.06258	7.3
167.07033	80.7
168.07426	2.7
171.06552	2.6
173.09680	2.4
175.14925	1.1
177.05463	3.9
177.09120	2.5
178.06241	1.5
178.09888	2.3
179.06963	1.3
180.07851	4.5
181.04976	56.2
181.08582	98.9
182.08961	3.9
189.09122	3.5
190.06500	1.0
191.07089	4.3
191.10706	1.2
192.07803	14.5
193.08591	100.0
194.09090	4.6
195.10159	99.8
196.10542	3.5
201.09135	2.4
205.12267	1.7
206.09415	2.7
206.46417	1.1
207.10194	1.3
209.08080	14.7
210.08897	2.5
221.11723	25.9
233.11705	8.2
235.09618	2.0
235.13263	2.2
249.11221	2.3
291.19647	1.3
334.71582	1.2
337.27197	1.2
355.15302	3.3
385.16656	1.9
403.17490	12.1
404.17905	1.4
413.19531	1.4
431.20648	1.2
574.36530	2.3
597.32227	1.2
597.38818	2.5
597.48279	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.1
55.01878	3.4
55.05489	3.4
61.03570	2.0
65.03925	7.2
67.05505	9.7
69.07068	3.1
70.44385	6.0
77.03916	2.0
79.05482	17.2
81.07030	7.9
91.05472	13.8
93.03413	2.6
93.07035	14.0
95.04963	6.8
95.08584	7.5
100.36301	2.0
103.05461	15.8
105.04514	2.3
105.07024	35.8
107.04946	27.1
107.08582	3.4
109.06517	2.4
109.10210	2.9
110.03706	2.9
115.05434	5.1
117.07037	2.2
118.04147	4.7
119.04951	4.5
119.08594	3.8
120.05652	2.9
121.06474	16.8
121.10119	4.8
123.04411	6.0
125.05997	3.3
128.06178	4.1
129.06978	8.8
130.07756	3.8
131.04929	4.6
131.08571	2.3
132.05730	2.2
133.06487	17.6
135.08049	7.2
137.05980	9.4
138.03117	2.6
142.02591	3.3
143.08566	4.1
145.06427	5.1
145.10062	10.7
146.07256	2.7
147.04396	3.2
149.06018	5.3
150.06741	4.8
153.05383	2.7
153.06920	2.8
154.06195	2.4
155.07231	2.1
155.08612	2.7
157.06480	5.8
157.12675	2.0
158.07275	10.2
159.08020	2.0
161.05978	4.7
161.09630	9.4
163.07512	6.9
165.06979	8.1
165.09114	14.1
166.06256	2.4
167.07019	38.8
171.07979	2.1
173.09660	13.7
177.05479	9.1
178.06227	2.5
179.08427	2.0
180.07797	2.4
181.04950	99.5
181.06438	4.9
181.08562	39.3
181.10091	4.4
182.05252	2.4
182.07208	3.1
185.06026	2.5
188.08295	3.5
189.09128	21.9
191.07066	6.4
192.07785	4.4
193.08578	100.0
194.07471	2.7
194.09239	9.0
195.08299	3.9
195.10138	29.7
196.10635	2.4
199.07684	2.5
201.05420	2.2
201.09093	14.8
203.10788	1.9
207.08063	2.9
207.10014	2.7
208.08748	2.8
209.08067	7.3
210.06754	8.4
211.07434	3.1
217.08553	5.4
219.10181	2.2
221.05989	3.0
221.09772	2.7
221.11714	23.6
222.10286	2.8
223.07655	3.4
223.09583	4.2
224.08345	2.6
225.05687	2.5
225.09016	8.2
226.06194	2.7
227.07027	4.0
231.10097	3.2
233.11667	13.0
235.07561	5.8
238.06238	2.5
239.07065	3.1
240.07591	3.6
241.08479	5.6
249.11212	7.6
251.07039	2.9
251.10770	3.8
255.06381	5.3
261.09070	4.0
265.12137	2.6
269.08231	2.3
270.08920	2.8
271.09647	6.1
278.09290	3.3
279.10147	4.1
281.08109	3.5
285.11166	5.5
286.08453	2.6
287.09143	2.6
293.11703	4.5
295.09579	4.1
298.08514	3.2
301.10373	2.8
311.12598	5.1
313.10806	4.1
315.12326	2.4
319.11639	2.1
321.11154	6.6
325.14307	6.5
325.42444	2.3
329.10187	26.7
330.10681	2.3
338.11295	2.4
339.12119	4.7
343.15405	15.0
345.13300	41.1
353.13803	16.8
371.14832	14.1
385.16296	8.3
387.17599	2.6
403.17365	21.2
404.17688	2.2
597.34821	14.4
597.47949	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	597.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.7
55.01868	5.9
55.05507	4.6
57.03444	1.8
57.07062	1.3
58.37503	1.1
59.05025	1.1
65.03951	1.5
67.05502	9.9
69.03429	12.3
69.07059	9.2
69.25654	1.1
69.50405	6.5
70.66434	1.2
71.04990	5.1
75.96085	1.1
79.05486	14.6
79.23007	1.1
81.03416	7.7
81.07056	18.9
83.04980	10.0
83.08620	2.6
84.94685	1.0
85.02894	2.5
85.06524	2.6
85.39034	1.0
91.05479	13.8
93.07043	18.7
95.04958	4.7
95.08601	21.5
97.06532	7.7
98.23306	1.6
99.04449	4.3
99.08087	3.2
103.05465	3.0
105.03465	1.1
105.07026	19.3
107.04945	6.7
107.08587	50.0
108.08935	2.1
109.02892	6.8
109.06509	12.7
109.10151	15.3
110.10518	1.3
111.08071	4.4
113.05963	1.7
115.05452	3.9
117.07015	4.8
118.64860	1.1
119.04872	1.4
119.08569	8.4
121.06516	11.1
121.10147	40.7
122.07273	5.3
122.10458	2.3
123.04425	3.4
123.08057	5.0
123.11700	1.9
124.05206	1.4
125.09650	7.7
127.03934	6.5
127.07573	1.4
129.07018	1.3
130.95657	1.3
131.08574	6.9
133.06458	3.3
133.10124	71.9
134.10446	4.1
135.08041	15.6
135.11671	9.5
137.05960	4.5
137.08597	2.5
137.09619	39.9
138.09933	1.4
139.11189	5.5
142.73366	1.1
143.08514	1.5
144.62621	1.1
145.06503	3.8
145.10162	10.1
147.08025	2.2
147.11665	7.8
149.09630	13.0
149.13254	21.4
151.03871	2.9
151.07503	4.3
151.11169	54.1
152.11534	2.1
153.05557	2.0
153.09114	2.9
154.57175	1.2
158.10965	3.5
159.11690	1.2
163.07475	1.9
163.11180	20.5
163.14819	9.0
165.09128	2.7
165.12733	4.7
167.07022	28.7
167.10687	7.8
168.07365	2.1
169.08601	20.4
173.05972	6.0
173.09622	3.5
173.13263	12.7
175.07536	1.6
181.04953	9.9
181.12227	5.2
185.11800	1.5
187.07582	1.5
189.09122	1.7
191.10683	10.3
191.14301	100.0
192.14661	5.5
201.09167	1.5
209.11871	9.0
209.15364	48.8
210.15663	2.0
221.09425	1.1
227.12752	30.1
229.14330	1.3
233.08110	2.9
235.09575	1.7
269.13818	1.9
311.09232	3.7
353.15930	10.4
371.17188	6.3
385.12872	4.0
387.14322	3.5
417.15421	3.3
435.21396	1.5
597.22498	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	597.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.3
55.05499	6.5
57.07068	1.9
57.80996	1.2
58.98605	1.7
59.04996	5.9
59.08135	1.2
65.03942	2.1
67.05500	10.3
69.03433	1.3
69.07077	6.9
69.43857	1.2
69.44209	9.1
71.04992	6.2
77.03957	2.1
79.05491	14.7
80.78947	1.3
81.03413	2.4
81.07053	28.9
83.01378	1.5
83.04977	2.7
83.08643	1.9
91.05479	35.0
93.07044	100.0
95.04963	19.5
95.08596	9.9
97.06543	4.8
105.04498	3.5
105.07028	46.0
107.08599	23.9
108.08910	1.9
109.06525	12.9
109.10159	7.3
111.08108	2.8
113.06022	9.3
119.08604	5.3
121.06525	2.6
121.10139	9.6
123.08088	4.9
123.11686	11.7
125.09661	2.3
131.08591	5.1
133.10123	62.6
134.10477	1.5
135.08057	3.4
135.11681	11.0
137.05988	4.7
137.09650	5.6
139.03922	2.0
139.11176	8.9
141.05478	7.4
143.08493	1.6
147.08072	3.0
149.09615	5.7
150.10419	3.4
151.07564	4.1
151.11191	13.9
153.05466	27.8
157.05038	2.2
161.09662	2.3
161.13283	2.0
163.07574	2.5
165.05406	1.4
165.09113	15.1
167.03412	2.2
167.10724	4.5
169.08580	2.8
173.13226	1.8
175.07597	7.1
177.05421	1.5
177.09192	2.5
178.06293	1.6
179.07040	5.3
181.08693	1.5
183.10188	1.7
189.09119	2.7
189.12791	1.8
191.07101	5.3
191.14330	1.6
192.07921	2.1
193.08603	48.0
195.10158	2.5
197.08026	7.6
201.12737	2.1
203.14290	2.2
205.08615	5.3
207.10216	4.5
209.08101	4.5
209.15431	4.4
211.09651	91.3
212.09982	4.2
219.10309	1.5
219.13808	1.8
221.11664	2.0
223.09639	12.8
227.09053	2.5
231.10222	2.3
231.13808	4.5
233.11719	14.1
235.13361	3.1
237.14836	42.4
241.12291	2.5
247.13312	5.4
249.14948	3.7
255.13867	1.7
265.14313	12.2
271.13309	1.6
273.14926	14.2
273.17667	2.2
287.12558	1.6
291.15921	5.5
297.11099	1.9
297.18417	1.9
303.15894	8.3
313.18033	2.2
315.19498	1.9
316.66638	1.7
325.18097	3.7
339.19580	1.6
343.19092	12.3
351.71008	1.5
361.20172	15.7
362.20621	1.8
385.16556	5.2
397.23993	1.8
415.24683	6.0
425.19589	1.6
429.22714	19.7
445.22162	3.1
447.23822	4.7
491.27960	2.1
509.28607	2.0
519.27081	2.3
527.29773	2.1
539.30029	2.3
579.32959	11.1
597.34052	36.0
598.34558	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	597.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14097	1.5
51.39887	1.7
53.03941	5.3
55.01878	3.7
55.05513	7.8
57.07061	2.8
59.04995	2.8
63.01858	1.5
65.03930	2.7
65.24345	1.9
67.05506	13.1
69.03419	3.4
69.05383	15.4
69.07066	8.6
71.04986	8.5
77.03915	3.0
78.71957	1.4
79.05493	44.0
81.07054	18.4
83.01345	5.6
83.04980	4.7
85.06553	1.6
87.04469	3.7
91.05480	28.2
93.07043	72.2
95.04965	17.5
95.08625	11.3
97.06534	20.0
105.04522	3.1
105.07030	42.7
107.04945	4.7
107.08593	45.1
108.08933	2.1
109.06502	6.3
109.10142	5.8
111.08087	4.3
113.06010	8.1
117.07038	3.8
119.05992	2.6
119.08591	8.3
121.06493	5.2
121.10147	27.3
123.04437	2.6
123.08063	13.7
123.11717	10.9
125.09637	2.5
128.06212	2.4
131.08586	8.4
133.06505	4.1
133.10127	50.5
135.08049	4.8
135.11691	83.1
136.12022	2.9
137.05981	4.9
137.09596	8.9
139.03882	2.0
139.11183	25.9
141.05460	7.4
143.08557	4.1
145.10167	3.2
147.08028	4.6
149.09625	14.3
149.13257	3.7
150.10364	9.1
151.07536	10.3
151.11174	5.1
153.05449	8.3
155.07033	2.3
157.04938	4.6
159.07976	4.4
159.11707	2.3
160.08455	1.9
161.09543	4.2
163.07506	4.7
163.11198	5.7
163.14711	1.9
165.09126	7.6
167.07022	3.9
167.10677	9.9
169.04965	2.4
171.11800	1.9
173.13248	4.4
175.07558	6.6
175.14816	3.7
177.09074	4.7
179.07056	22.2
179.08496	3.3
179.10701	2.1
181.08643	3.2
189.09091	4.1
191.07040	8.0
191.14307	7.6
193.08560	18.2
194.07315	2.7
195.06503	2.2
195.10150	3.0
197.08078	39.1
199.11208	2.0
201.12738	5.5
203.14314	4.2
205.08604	5.7
207.10100	3.6
209.08012	2.3
209.15372	14.7
211.09608	26.0
212.10011	1.9
213.12613	2.7
215.10629	2.2
219.13730	1.9
223.09567	3.7
227.09135	6.8
229.12112	2.1
231.13875	2.8
235.13287	11.1
237.14842	100.0
238.15224	3.7
241.12248	3.2
243.13849	2.3
247.13303	4.1
249.14868	3.2
253.12152	3.9
255.13832	4.0
265.14313	24.9
271.13269	3.3
273.14871	7.7
275.12820	2.3
277.14328	2.1
285.18494	3.2
287.12744	2.1
295.16956	7.7
297.18466	5.5
313.14407	2.3
313.17953	33.7
315.19516	12.6
325.17966	2.9
331.19089	5.4
333.20496	3.6
343.19034	11.2
345.16989	3.0
357.16913	3.3
361.20190	14.1
367.23904	1.9
379.18619	2.8
381.24158	2.2
385.16116	3.4
407.18411	3.6
415.24554	4.9
425.19431	18.0
429.22437	5.0
443.20667	5.9
445.22229	3.4
449.22937	2.2
461.21609	6.6
468.19116	1.9
491.27658	7.5
501.26193	4.5
509.28860	3.8
519.27423	38.8
520.27698	5.2
537.28265	6.5
537.57727	1.8
543.30737	6.6
561.32074	17.3
562.32593	3.0
579.32935	13.8
597.25311	2.5
597.34283	40.7
598.34186	6.2
612.91138	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	2.4
53.03946	8.6
55.01876	1.6
55.05508	6.0
57.03442	1.7
57.07076	2.8
57.31963	0.9
59.05003	5.7
59.79821	0.8
65.03942	3.4
67.05503	15.7
68.99779	1.1
69.03417	1.3
69.07063	9.7
70.56088	1.8
70.56422	1.3
71.05003	6.8
77.03940	1.5
79.05489	18.6
81.03417	2.6
81.07056	35.8
83.01355	2.2
83.05000	2.6
85.06557	2.0
91.05483	46.0
93.07046	90.9
94.07350	2.2
95.04968	26.7
95.08608	13.2
97.06544	4.5
99.44136	0.9
103.05461	2.1
105.04529	2.9
105.07030	59.1
105.10094	0.9
106.07347	1.3
107.04990	1.9
107.08595	31.3
109.06522	12.2
109.10145	7.2
111.04452	1.0
113.06016	12.8
115.05464	1.3
117.06984	1.8
118.07808	1.5
119.08569	3.0
119.30399	1.0
121.06513	3.8
121.10149	10.6
123.04443	2.2
123.08064	4.5
123.11705	14.3
123.12547	1.4
125.09565	1.4
127.07539	1.2
129.07005	1.3
131.08536	5.9
133.10132	59.6
134.10452	2.1
135.08081	2.5
135.11705	3.2
137.06007	7.3
137.09608	5.0
139.03889	2.3
139.11168	6.7
141.05452	7.4
143.08514	1.4
145.10112	1.2
146.70558	0.9
147.08047	3.3
149.05946	1.3
149.09607	2.5
150.10403	1.7
151.07529	2.1
151.11208	6.7
153.05461	28.5
155.06999	1.7
157.05029	1.6
160.08914	1.1
161.09615	1.3
161.13330	1.7
163.07610	2.6
165.05537	1.3
165.09134	17.2
167.03404	2.5
167.10721	2.7
175.07538	8.3
175.11166	1.3
177.05490	1.4
177.09119	2.3
177.12770	2.9
178.06322	2.0
179.07042	1.1
179.10796	1.0
183.08369	1.0
183.10208	2.3
185.09619	1.2
187.07591	1.3
187.11253	1.1
189.09151	2.2
189.12813	1.2
191.07065	7.3
191.14261	2.7
192.07800	3.0
193.08604	51.0
194.09062	2.2
195.10143	1.6
203.14330	1.1
205.08655	4.9
207.10147	3.6
209.08002	5.4
209.15315	2.2
211.09654	100.0
212.10036	3.5
217.08644	1.4
219.13826	4.1
223.09645	10.5
226.10153	1.1
229.12157	1.2
231.10103	1.9
231.13872	1.5
233.11722	13.4
235.13304	1.9
237.14854	20.6
238.15285	1.7
245.11775	1.3
247.13399	4.3
261.11301	1.4
261.15067	1.0
265.14291	6.9
265.16516	0.8
269.11801	2.0
273.14838	15.5
274.15607	1.1
275.12857	1.3
289.14529	1.0
291.15878	3.4
297.11288	2.5
299.12830	1.4
303.15802	9.3
303.18539	0.9
304.16473	1.0
315.12219	1.8
325.17944	4.1
327.19611	1.0
343.19080	9.0
345.20468	1.2
361.20145	8.8
371.18570	1.2
373.14874	1.0
385.16406	4.1
391.17685	1.6
397.23856	2.8
401.15756	1.2
401.23224	1.8
415.24860	3.2
429.22705	23.2
430.22983	2.6
445.22073	1.8
447.23822	3.6
499.67374	1.4
509.28781	3.2
527.29980	3.4
561.32068	1.7
579.33148	9.8
580.33380	1.6
597.34100	9.9
598.34717	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37695	0.6
50.66652	0.5
51.02380	0.6
53.03947	2.2
55.01875	1.1
55.05513	6.4
57.07068	0.7
59.04984	0.6
65.03944	1.3
67.05504	4.0
69.03443	0.8
69.07071	1.7
69.31483	4.0
71.04990	5.6
72.01379	0.6
79.05497	11.6
81.07058	11.0
83.01352	1.4
83.04984	1.7
83.08598	0.6
91.05480	44.2
92.05796	1.0
93.07050	8.7
95.04963	3.5
95.08603	3.2
97.06521	1.7
103.05446	2.8
105.07030	100.0
106.07378	2.2
107.04925	0.6
107.08596	6.0
109.06530	2.3
109.10149	3.4
111.08095	0.5
113.06007	5.3
115.05480	1.3
117.07023	1.8
118.07810	0.8
119.08538	3.5
121.06506	1.5
121.10132	3.8
123.04436	0.7
123.08057	1.8
123.11720	1.4
125.05993	0.6
129.07011	1.2
131.08588	5.6
133.10130	86.9
134.10475	2.4
135.08066	1.6
135.11674	1.8
137.05988	2.5
137.09633	4.1
139.03865	0.7
139.11145	3.5
141.05424	1.6
143.08569	1.8
145.06496	0.8
145.10146	1.6
147.08054	2.3
147.11703	0.7
149.05997	0.8
149.09625	2.4
150.10405	0.8
151.07562	1.1
151.11201	3.2
153.05461	7.2
156.09369	0.6
157.04964	1.5
157.10149	0.5
157.95068	0.5
159.08080	0.8
159.11694	0.8
161.05971	0.6
161.09604	1.3
161.13260	1.0
162.26315	0.5
163.07504	0.9
165.09099	5.5
167.07098	0.7
167.10643	2.0
169.10176	0.9
171.08014	0.9
171.11737	1.2
175.07558	3.0
175.11189	1.9
177.05447	0.7
177.09007	0.6
179.06982	0.8
181.04854	0.6
185.09601	1.0
187.07625	1.2
189.09155	0.9
189.12732	1.2
191.07045	3.6
191.14337	1.0
192.07843	1.3
193.08589	16.0
194.08826	0.9
195.11746	0.6
199.07541	0.9
201.12708	0.6
203.07013	0.8
203.10724	0.7
203.14384	1.2
205.08553	3.4
207.10133	1.7
207.13829	1.6
209.08121	1.7
209.15385	1.1
211.09651	35.7
212.09999	1.4
213.12769	2.5
219.13814	1.1
221.11699	1.2
223.09546	2.9
231.10114	0.6
231.13820	2.5
235.13304	2.7
237.12682	1.0
237.14850	9.3
238.15340	0.7
247.13379	1.1
248.16289	0.5
249.14719	1.1
255.13794	1.7
257.11862	0.7
261.11194	1.2
265.14359	2.2
273.14862	11.4
275.12854	1.2
283.17078	0.9
287.12769	0.8
291.15921	2.6
297.11267	0.6
297.18451	0.7
307.17163	0.7
325.17990	3.2
327.19531	1.2
343.19052	17.4
344.19431	1.6
361.20038	4.5
389.19711	0.6
397.23639	4.6
415.24756	1.5
423.28864	0.7
427.21252	1.1
429.22702	9.5
430.22992	1.2
445.22003	0.8
447.23895	1.2
479.24753	0.9
491.27914	1.6
497.25256	3.5
509.28961	3.4
527.29950	2.7
528.30347	0.7
561.31689	3.1
579.33136	16.1
580.33417	3.4
586.65833	0.6
597.34229	12.1
598.34790	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.342
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57689	2.8
53.03942	9.3
55.01884	3.6
55.05507	8.7
56.00707	2.0
57.07075	6.2
59.04998	7.9
65.03917	2.7
67.05505	24.7
69.03430	9.2
69.07059	12.9
71.05003	13.3
77.03941	2.5
79.05491	46.6
81.07056	45.1
81.07502	3.4
83.01357	8.2
83.04988	6.6
83.08633	2.7
85.06536	3.5
87.04443	3.8
91.05481	41.3
93.07043	100.0
94.07357	3.7
95.04975	32.5
95.08601	16.1
97.06537	18.8
97.10140	3.1
98.23330	5.3
103.05483	5.2
105.04491	2.2
105.07031	51.5
107.04948	4.5
107.08590	50.1
109.06525	25.5
109.10139	13.8
111.08070	4.5
113.06008	12.4
114.76476	2.2
117.07059	3.9
119.08585	11.5
121.06522	7.3
121.10153	32.8
123.04471	4.5
123.08074	19.8
123.11690	25.1
125.09665	2.9
131.08598	10.1
133.06552	5.7
133.10133	78.8
134.10466	5.0
135.08084	9.4
135.11693	61.2
136.12106	2.9
137.05991	11.5
137.09599	12.9
139.03935	4.4
139.11174	28.0
141.05499	10.2
143.08566	5.8
147.08055	8.0
149.05986	2.5
149.09653	14.5
149.13242	3.3
150.10437	7.0
151.07556	8.6
151.11176	22.6
153.05467	18.3
153.09097	2.8
157.04980	6.8
159.08066	5.6
159.11636	2.7
161.09636	5.6
161.13330	3.5
163.07599	9.3
163.11229	5.0
165.09102	17.3
167.07072	4.3
167.10683	15.9
169.04999	4.0
171.11754	2.6
173.09706	3.3
173.13228	4.4
175.07597	10.1
175.14839	5.5
177.09151	5.5
178.06311	2.5
179.07054	18.6
179.10733	2.3
181.08545	6.0
189.09126	6.0
191.07080	13.0
191.14305	6.8
192.07863	6.0
193.08591	39.8
193.10147	3.2
195.10216	5.8
197.08063	30.6
197.09563	2.5
199.11230	4.1
201.12779	5.7
203.14351	5.8
205.08632	8.1
207.10217	5.1
209.08153	6.4
209.13481	3.4
209.15428	10.5
211.09653	48.9
213.09200	3.3
213.12772	5.4
215.10780	3.4
219.13858	6.1
223.09680	7.8
227.09187	8.8
231.10167	3.8
231.13895	7.3
233.11844	5.2
235.13313	8.2
237.14848	99.8
238.15324	6.3
241.12209	3.2
243.13907	3.4
247.13359	7.7
249.14886	8.0
255.13921	5.9
261.15079	2.4
261.49960	3.0
265.14319	20.0
273.14792	18.5
275.12863	4.7
275.19998	2.8
291.15955	9.6
295.17035	7.7
297.18597	4.1
313.14410	4.1
313.17950	33.8
314.18335	3.0
315.19543	7.3
316.19757	3.5
325.18250	3.2
331.19061	4.4
343.19125	16.9
361.20068	42.7
362.20581	4.6
385.16516	4.1
390.83533	2.5
397.24188	2.6
415.24902	16.3
425.19553	10.9
429.22873	8.7
443.20648	3.8
445.22369	3.4
461.21698	4.2
491.27936	6.3
501.26791	3.3
509.29065	3.6
519.27490	26.9
527.29773	5.3
537.28375	4.3
543.31000	3.3
561.32068	16.4
562.32019	3.0
579.33276	20.7
580.33655	4.4
597.34180	98.3
598.34576	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	597.342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	1.4
53.01086	1.5
53.03950	8.1
53.46973	1.6
55.01880	3.5
55.05512	6.9
56.39348	1.7
57.03444	2.1
57.07083	2.8
59.04998	7.6
61.85835	1.6
65.03942	4.3
67.05504	15.9
68.99783	1.6
69.03438	4.3
69.07063	10.3
69.99876	1.6
71.05006	6.0
77.03954	2.8
77.84811	1.6
79.05499	32.7
81.03435	4.0
81.07064	36.0
82.50400	1.4
83.01353	5.8
83.04997	3.5
83.08627	2.2
85.06535	1.9
87.04446	2.7
87.33388	1.9
91.05484	45.8
93.07047	100.0
94.07381	4.2
95.04972	23.0
95.08606	15.5
97.06539	14.7
103.05449	2.3
105.04532	4.1
105.07032	59.2
106.07349	1.9
107.04949	3.4
107.08595	49.5
108.19241	1.5
109.06525	10.1
109.10158	10.7
111.04465	2.2
111.08123	2.7
113.05995	10.9
115.05473	3.4
117.07017	2.8
119.08576	6.7
121.06535	4.4
121.10142	22.1
123.04418	4.5
123.08076	14.4
123.11703	11.5
125.06013	1.9
125.09666	2.7
129.07042	2.9
131.08601	9.1
133.06520	3.8
133.10129	62.5
135.08069	7.1
135.11699	54.5
136.12062	2.0
137.05965	7.5
137.09651	9.5
137.13225	2.9
139.03912	7.1
139.07593	1.9
139.11188	27.4
141.05447	10.3
143.08553	3.6
145.06496	2.0
145.10201	2.9
147.08092	5.2
149.09633	9.8
149.13266	3.2
150.10416	7.0
151.07532	10.8
151.11206	9.1
153.05482	17.7
155.03418	2.0
155.07039	2.3
157.04979	8.3
159.08093	2.7
161.09543	2.7
163.07576	4.0
163.11177	3.9
165.09143	14.3
167.03365	2.4
167.07074	4.9
167.10678	16.4
169.04999	4.3
173.09669	2.7
173.13313	5.2
175.07588	6.7
177.09111	3.5
177.12781	3.0
179.07030	25.7
179.74460	1.8
181.08646	2.3
185.13208	2.0
189.09137	3.1
191.07034	9.1
191.10748	3.1
191.14282	8.8
193.08614	32.9
195.10229	4.0
195.13818	1.9
196.40356	1.5
197.08099	42.5
197.09837	3.2
199.11292	2.1
201.12785	2.3
203.14337	5.5
205.08606	5.1
207.10175	4.2
209.08142	6.1
209.15384	10.0
211.09641	69.7
212.10037	2.6
213.09038	3.1
213.12683	2.3
215.10799	2.8
217.08647	1.9
217.12292	2.0
219.13831	5.5
221.15309	2.2
223.09662	12.5
225.07545	2.1
225.12706	1.7
227.09111	10.2
229.12149	1.8
231.10175	1.8
231.13849	3.7
233.11763	11.7
235.13342	5.8
237.14850	99.5
238.15237	5.6
245.12064	1.6
247.13385	4.4
249.14922	4.9
253.12273	2.7
255.13872	3.9
259.13306	2.5
265.14328	22.6
273.14832	15.6
275.12787	3.4
277.14404	4.0
291.16068	4.1
295.16837	2.3
297.11343	3.2
297.18579	3.6
303.15881	7.4
313.17999	14.7
315.12302	1.9
315.19534	12.6
325.17914	3.1
331.18976	3.5
333.20657	3.9
342.65869	1.7
343.19055	12.4
345.17004	2.2
351.19827	1.9
361.19989	9.3
373.16376	2.0
379.22919	2.1
385.16687	3.5
391.17627	4.2
401.15753	2.0
415.24811	2.5
425.19623	12.7
427.21524	2.2
429.22818	18.7
430.23245	3.0
443.20648	5.4
445.22281	3.4
447.23871	2.3
461.21753	8.1
491.27948	4.7
501.26346	1.8
509.29086	4.9
519.20795	2.4
519.27411	17.8
527.30176	7.8
537.28528	4.2
538.30280	1.9
543.31403	2.8
561.32153	13.9
579.33105	16.5
580.33759	2.7
597.25348	2.8
597.34259	45.7
598.34283	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	597.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.7
53.03936	2.6
55.01868	0.7
55.05513	6.2
57.03433	0.9
59.05004	0.7
65.03924	2.2
67.05505	5.3
69.03419	1.5
69.07066	2.0
71.04993	4.9
77.03918	0.7
79.05492	12.9
81.07055	11.5
83.01333	1.7
83.04990	2.1
86.05002	0.5
91.05477	46.0
92.05795	1.2
93.07040	9.4
95.04395	0.9
95.04955	4.7
95.08612	2.0
97.06525	2.5
103.05461	3.6
105.07026	100.0
106.07351	2.8
107.08592	5.1
109.06499	2.7
109.10148	3.0
111.04398	0.6
113.06007	5.2
115.05464	1.5
117.07041	2.6
118.07770	1.0
118.22749	0.5
119.08572	3.6
121.06480	2.0
121.10146	4.9
123.04420	0.9
123.08079	2.4
123.11742	1.2
125.06041	0.6
125.09625	0.6
129.07024	1.1
131.08559	6.2
133.06464	1.0
133.10124	63.2
134.10466	1.9
135.08044	1.3
135.11703	2.0
137.05986	3.9
137.09613	3.7
139.03938	0.6
139.11150	4.1
141.05466	2.4
143.08551	1.9
145.06493	1.1
145.10069	1.0
147.08038	2.3
147.11685	0.8
149.06006	1.0
149.09621	2.0
150.10458	0.9
151.07529	1.1
151.11185	2.7
153.05478	8.5
155.07057	1.0
157.04967	1.0
157.10135	1.1
159.08069	0.9
159.11757	0.8
161.09622	1.8
161.13216	1.0
163.07515	1.2
165.05482	1.2
165.09128	8.0
167.10670	1.9
171.11766	0.8
173.13264	0.9
175.07574	3.6
175.11176	1.5
177.05424	0.8
177.09204	1.2
178.06293	1.1
179.07021	0.7
179.08531	0.7
183.10182	0.8
185.09616	1.0
185.13329	0.5
187.07567	0.7
189.09090	1.4
189.12732	0.9
191.07018	3.3
191.14313	0.7
192.07857	1.7
193.08594	18.5
193.12292	0.8
194.09021	0.6
199.05853	0.6
203.10757	0.7
203.14290	1.4
205.08578	3.7
207.10149	2.1
207.13872	0.7
209.08075	1.8
209.15445	1.3
211.09637	24.6
211.11603	1.2
211.31152	0.5
212.10001	0.8
213.12788	1.8
215.06917	0.8
217.08475	0.6
217.12242	0.6
219.10048	0.6
219.13716	1.2
221.11720	0.8
223.09650	2.5
230.25104	0.6
231.13797	2.0
235.13380	2.5
237.14822	7.9
238.15047	0.6
245.11607	1.3
247.13309	2.1
249.14769	0.7
255.13673	1.8
257.11734	1.0
261.11099	1.2
265.14417	1.5
269.11508	0.9
271.13220	0.6
273.14825	7.0
275.12689	0.7
291.15942	1.7
297.11243	0.6
315.12247	0.9
325.17981	2.8
331.18832	0.6
343.19003	11.4
344.19650	0.7
361.20004	2.8
397.23804	2.5
415.24716	1.0
429.22760	3.9
447.23669	0.7
479.24316	1.1
491.28418	0.7
497.25320	2.9
509.28732	2.9
527.30237	1.0
547.03748	0.6
561.32062	0.9
579.33112	16.2
580.33386	2.9
597.34149	8.1
598.33875	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	2.3
52.48876	1.9
53.03943	5.1
53.79912	1.9
55.01870	2.8
55.05513	8.6
55.94019	1.9
56.28389	2.1
57.07075	6.1
65.03934	3.0
67.05507	23.6
69.03423	4.9
69.07085	9.5
71.04990	6.5
77.03931	2.0
79.05495	37.1
81.03438	2.1
81.07056	43.4
82.01291	1.6
83.01337	4.1
83.04967	4.0
85.06533	1.9
91.05482	59.0
93.07047	41.2
94.07346	2.6
95.04961	15.5
95.08599	15.0
97.06538	7.9
103.05434	2.5
105.04547	2.1
105.07030	100.0
106.07343	2.4
107.08593	23.3
109.06537	11.2
109.10138	12.8
111.08088	2.0
111.72871	1.9
113.05992	11.6
115.05441	3.1
117.07011	5.9
119.08576	9.6
121.06494	5.0
121.10149	21.9
123.08091	3.6
123.11720	9.7
125.09590	2.8
129.06978	2.2
131.08546	9.1
133.06506	2.6
133.10124	94.3
134.10468	4.7
135.08017	4.1
135.11679	13.6
137.05971	7.2
137.09593	10.0
139.03879	3.0
139.11157	9.9
141.05502	6.8
145.10106	4.5
147.08067	6.2
147.11668	4.6
149.09630	6.8
149.13316	4.6
151.07570	4.1
151.11172	19.3
153.05460	19.8
153.09203	2.0
155.08575	1.8
157.04973	3.4
157.10089	2.7
161.09653	2.9
161.13254	3.1
163.07559	5.0
163.14853	1.8
165.05423	2.9
165.09097	14.1
167.10666	5.0
171.01373	2.3
171.11670	2.3
173.13243	3.0
175.07607	7.1
177.09103	3.6
181.08713	2.4
187.07581	2.8
189.09166	2.1
191.07047	7.1
191.14349	4.5
192.07845	4.4
193.08606	40.7
193.09883	1.7
194.09155	2.2
203.14229	2.6
205.08566	10.1
207.10185	5.6
209.08038	3.3
209.15334	5.7
211.09645	69.7
212.10085	3.6
213.12730	3.2
217.08679	3.2
217.12335	2.1
219.13782	2.5
221.08101	2.6
223.09616	10.8
225.11234	2.4
226.11578	3.1
231.13683	4.9
235.13239	3.2
237.14864	21.0
247.13271	5.2
259.13281	2.0
261.14844	2.0
265.14368	6.7
273.14810	16.5
275.12753	2.7
291.15842	6.3
325.18079	5.3
327.19672	1.8
343.18964	21.9
361.20029	33.5
362.20496	2.4
397.23447	3.9
415.24872	10.4
429.22781	16.4
447.23697	4.5
509.29111	6.1
527.29688	3.9
561.31854	3.1
579.33209	22.4
580.33209	2.6
597.34119	48.3
597.48370	8.1
598.34375	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	598.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.1
55.05518	2.5
59.20512	0.7
61.02931	2.0
65.83552	0.7
67.05502	1.1
69.03431	3.5
69.07069	0.8
69.56288	2.1
69.56690	3.0
71.05017	1.2
79.05494	5.5
79.68034	0.9
81.03420	11.5
81.07053	1.4
83.04935	0.8
83.08636	0.8
85.02905	9.6
91.05502	3.6
93.03481	1.1
93.07053	1.9
93.92234	0.7
95.04987	1.8
95.08685	0.9
97.02892	3.7
98.22665	1.6
99.04450	0.7
100.07620	1.1
100.11261	4.6
103.05473	3.2
105.07051	3.2
105.87669	0.8
107.04962	9.8
107.08589	1.0
109.02866	1.7
109.10160	1.3
111.04477	1.7
115.05438	7.4
117.07018	17.6
119.08595	1.0
121.10100	0.9
123.04431	4.0
124.05210	2.4
127.03938	2.4
128.06227	1.1
128.07123	1.5
129.07036	2.9
131.04933	1.2
131.08594	3.2
132.05705	1.2
133.06474	1.6
135.04416	2.0
135.11702	1.7
137.06023	2.3
141.07042	1.4
144.05699	3.4
145.05070	2.7
145.06491	38.7
146.07019	0.7
147.04446	1.9
147.08052	1.2
149.06030	0.8
151.03935	0.9
152.04692	0.9
153.05505	1.3
155.06009	6.8
155.07072	1.1
156.05728	7.3
157.06493	2.3
158.07292	1.0
159.08052	6.3
160.05167	1.1
161.05980	4.8
162.07605	1.5
167.07042	47.8
168.07373	1.8
172.05226	1.8
173.05986	66.1
174.06461	2.8
175.07545	2.1
180.08719	2.9
181.05035	1.5
182.15387	4.5
183.06519	0.9
184.05211	2.9
187.07539	7.3
190.06248	38.7
191.06905	2.6
193.08614	2.5
201.05487	0.9
202.06235	5.0
203.07005	7.6
204.07915	1.3
205.08604	100.0
206.09007	4.9
206.10759	1.0
207.06519	1.6
209.08086	1.1
210.14876	7.4
215.07039	1.7
217.08598	43.2
218.09030	2.6
219.08249	1.4
219.10120	4.7
223.09680	3.5
228.16049	1.2
235.07346	2.0
235.09653	25.4
247.07460	1.8
247.09721	5.6
248.08298	1.9
249.09123	1.0
263.10855	1.0
265.10733	33.9
266.11044	1.9
269.08133	2.2
271.09634	2.1
276.07843	1.6
277.08591	1.0
279.10068	1.9
285.11316	1.2
290.09225	1.0
291.10269	1.8
293.08060	1.6
299.09412	0.9
303.04999	1.4
307.09985	1.2
315.08780	4.9
320.61343	0.9
323.12881	2.4
330.10974	6.5
331.11670	2.9
336.09546	1.0
339.12344	1.8
343.11789	1.2
351.12332	4.5
355.22034	1.2
368.12784	0.8
371.14880	2.2
383.14932	9.6
384.15326	1.5
401.15894	10.5
402.15887	1.0
454.32269	1.0
581.38812	3.1
599.39935	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	1.4
69.03429	2.7
70.69762	2.2
78.04716	1.3
79.05492	4.9
81.03421	14.0
85.02898	10.8
91.03915	1.1
91.05494	3.2
95.04979	2.0
97.02917	3.1
103.05472	3.0
105.07047	2.0
107.04955	10.8
115.05423	7.7
116.11495	1.2
116.69331	1.1
117.07020	15.5
119.08521	1.4
121.40742	1.1
122.03675	1.6
123.04433	3.8
124.05209	2.3
124.20654	1.1
127.03861	2.2
129.07028	4.3
131.08575	3.9
133.06500	2.4
137.06071	1.3
141.06998	2.2
144.05664	1.9
145.05238	1.7
145.06487	38.0
151.03923	2.1
151.07555	1.3
152.04680	2.0
155.06047	6.6
156.05672	6.6
157.06479	2.3
159.08026	5.4
159.73846	1.0
161.05963	5.1
163.03868	1.5
167.03426	1.2
167.07036	51.4
173.05980	69.1
174.06343	2.5
175.07486	1.4
180.08694	4.1
181.04997	1.3
183.06503	2.1
184.05286	1.9
187.07550	8.0
190.06241	40.3
191.06903	1.9
193.08624	1.9
202.06302	5.2
203.07010	8.5
205.08594	100.0
206.08920	3.7
207.06448	2.1
207.10266	2.2
215.07059	2.6
217.08588	44.9
218.09126	2.6
219.08247	1.7
219.10233	4.3
223.09669	3.3
231.08054	1.5
235.09650	28.9
236.10042	1.5
247.09656	7.8
261.09125	1.4
263.10611	2.2
264.07690	1.6
265.10706	25.4
271.09531	1.8
272.83380	1.0
282.72220	1.1
291.10098	2.0
299.09229	1.3
307.09595	2.0
308.10376	1.4
315.08636	4.7
323.12756	2.0
330.11041	6.2
331.11673	1.8
339.12680	1.6
351.12274	3.8
371.14902	3.2
383.14880	10.1
401.15903	10.5
456.08432	1.1
491.18634	1.2
598.23364	13.6
599.22980	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86231	2.3
53.03950	3.2
53.35315	3.1
57.19546	2.2
57.71786	2.7
65.03951	4.1
69.07070	8.1
69.63326	14.2
75.06737	2.8
76.29525	2.4
79.05487	7.7
79.68665	2.4
81.03414	3.8
81.07049	5.2
85.02892	12.9
91.05476	9.0
93.07059	3.7
95.04980	9.4
95.08602	4.8
97.02886	2.7
103.05461	3.0
105.04421	3.7
105.07042	7.3
107.04942	19.9
107.08574	3.3
117.07082	3.3
121.06480	8.1
123.04417	13.7
124.05224	4.1
127.03923	3.1
129.06984	2.9
130.07805	4.3
135.08066	4.8
136.05237	3.5
137.05969	7.3
138.06743	5.5
139.07530	3.0
140.04668	4.1
143.08556	4.9
145.04822	2.6
145.06442	3.0
145.10120	18.0
148.05215	4.8
151.03979	3.0
151.07574	5.4
153.05482	3.6
154.06230	12.1
155.07025	6.1
155.08574	6.8
158.07309	19.6
159.07988	4.3
161.06061	3.1
163.07603	7.6
165.05475	5.1
166.06261	12.1
167.07036	99.5
168.07547	3.0
169.08614	18.5
171.08093	3.2
173.09596	45.9
178.09972	5.3
179.07039	3.4
181.04953	15.1
181.08589	80.6
183.06569	5.1
189.09134	4.3
191.10623	4.2
192.07759	3.4
194.09332	5.9
195.06512	13.7
195.10194	30.7
197.08121	7.4
201.09100	66.4
202.09583	3.5
209.11745	6.4
214.43835	2.8
216.11423	58.1
217.08588	7.5
217.12015	6.2
219.10207	14.5
232.10941	16.1
233.11708	43.6
233.85420	2.4
234.11771	4.2
247.13277	100.0
248.13780	3.9
251.12799	44.3
263.38535	2.5
265.14337	49.1
266.14615	3.7
351.01880	2.6
359.14874	4.2
401.19580	8.8
419.20554	5.4
546.29932	3.4
598.23364	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	599.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26638	0.1
52.36204	0.1
53.03931	0.3
55.01859	0.5
64.48625	0.1
65.03935	2.7
67.05491	0.3
68.99783	0.4
69.03426	0.4
69.07065	0.2
70.89325	0.3
71.01340	0.3
71.04977	0.1
79.01813	0.2
79.05032	0.1
79.05475	0.3
81.03405	0.5
81.07037	0.4
85.02915	1.0
85.20958	0.1
89.94480	0.1
91.05487	0.4
93.03386	0.4
93.07023	0.5
95.01322	0.4
95.04948	0.6
95.08592	0.2
97.02880	2.2
103.05466	0.2
105.07034	0.5
107.04945	0.4
107.08596	0.3
109.02858	0.4
109.10141	0.2
111.04441	1.8
113.02374	0.4
119.08591	0.2
121.02857	100.0
122.03179	2.6
123.04417	0.4
125.05981	0.2
127.03905	0.3
129.07025	0.1
131.04945	0.3
131.08597	0.1
133.06459	0.5
133.10110	0.2
135.04385	0.2
135.11671	0.3
137.02338	6.6
137.03430	0.5
137.05965	0.6
137.09650	0.2
139.03912	1.1
141.01814	1.8
145.06557	0.2
147.04340	0.2
149.02351	0.1
149.05916	0.6
151.03920	0.4
151.07491	0.2
153.01790	0.9
161.05952	0.8
163.03850	0.3
163.07591	0.2
163.11154	0.2
163.45509	0.1
165.01778	0.3
165.09090	0.1
167.03413	0.1
167.07045	1.1
175.03931	0.2
177.05450	0.3
181.05019	0.1
181.08615	0.2
183.02951	0.2
187.03818	0.2
191.07031	0.2
193.08543	1.0
201.05441	0.3
205.04951	0.4
209.08090	0.3
211.09622	0.2
217.04962	0.2
221.18913	0.2
227.07016	0.2
229.04880	0.8
233.04503	0.4
235.05994	2.2
239.20012	0.1
257.04459	0.4
258.05096	0.3
261.03912	0.2
263.07034	0.1
279.04974	11.1
280.05316	0.7
281.06680	0.2
285.04022	0.2
285.11212	0.2
286.04715	0.7
286.11279	0.2
297.06030	4.6
298.06326	0.3
299.07956	0.2
301.07059	6.7
302.07355	0.4
303.04962	14.6
304.05377	0.8
317.02936	0.4
317.06549	0.9
327.05103	0.2
365.10391	0.3
599.26788	1.3
600.26031	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1393
Annotation	Pterogynoside
Peak:m/z	Relative Intensity
50.73616	0.3
53.03939	0.7
55.01871	0.8
57.03432	0.3
63.94481	0.2
65.03945	1.8
67.05504	1.4
67.43000	0.2
67.49519	0.2
68.99786	0.7
69.03426	0.3
71.05659	0.5
73.02905	0.2
77.03898	0.3
79.01857	0.6
79.05479	0.4
81.03428	1.2
81.07061	0.3
85.02919	1.2
91.05457	0.4
93.03402	0.8
93.07086	0.3
95.04986	1.0
95.08594	0.4
97.02876	1.2
98.22675	0.3
99.04477	0.3
105.03407	0.3
105.04505	0.3
105.07039	0.6
107.01289	0.2
107.04930	0.5
107.08609	0.4
108.02101	1.6
109.02885	1.3
109.10168	0.3
110.79579	0.2
111.00834	0.3
111.04454	1.4
112.01540	0.3
113.14754	0.2
115.05457	0.4
119.08585	0.3
121.02869	5.7
121.03835	0.4
121.06482	0.3
121.10104	0.2
123.04428	0.4
123.11759	0.3
125.02373	0.4
125.05976	0.7
127.03919	1.0
128.04353	0.2
129.22710	0.2
133.10034	0.2
135.11664	0.4
136.01556	0.4
137.02338	2.0
137.05980	0.7
139.03867	0.4
141.05452	2.2
143.03389	0.5
145.04929	0.2
147.04410	0.4
147.08167	0.2
151.03906	100.0
151.04979	7.2
152.04231	2.8
153.01817	12.9
157.06496	0.3
161.05966	1.1
165.01849	0.9
167.07039	0.5
169.04979	0.6
171.02922	0.5
177.05472	0.2
179.08534	0.2
181.05116	0.3
183.02911	0.5
185.06027	0.5
193.08629	0.3
203.17978	0.3
203.46007	0.2
207.06451	0.3
213.05479	0.9
221.18959	0.3
231.06517	0.3
239.19943	0.3
241.04901	0.5
258.05240	0.8
259.06003	0.3
267.10248	0.3
279.05164	0.3
285.11191	1.7
286.04797	0.3
286.11545	0.2
287.05490	57.9
288.05798	3.7
295.08133	0.4
297.06110	1.0
301.07065	1.8
303.04990	0.5
313.09155	4.8
314.09354	0.4
317.03006	0.4
329.06473	0.6
334.50027	0.2
353.06421	0.3
395.07553	0.3
416.65689	0.2
431.10403	0.2
465.32205	0.2
481.26721	0.3
514.71405	0.3
599.23376	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
55.01856	0.5
57.03411	0.6
61.02909	0.5
69.03411	1.6
69.05123	3.2
69.05537	0.9
71.33105	0.4
77.03925	0.5
79.05485	1.1
80.21438	0.4
81.03436	1.1
85.02891	4.9
91.05546	0.5
95.04925	0.7
97.02890	1.5
103.03929	0.5
107.04950	100.0
108.05289	2.5
109.02876	1.0
119.04980	0.6
121.06519	0.8
123.04443	1.2
127.03913	0.8
131.04927	1.2
137.05969	0.6
137.90216	0.5
139.03891	2.0
145.06476	0.4
147.04395	1.2
149.05992	2.0
151.03909	4.8
151.05051	0.6
153.01883	1.3
159.08043	0.5
163.03870	2.2
165.05406	1.1
167.07047	1.7
169.04964	1.3
173.06035	0.9
175.03906	0.8
177.05510	1.0
181.04962	5.4
187.03935	0.5
187.07506	0.7
189.05516	1.0
193.04944	9.0
203.06767	0.5
205.04823	4.3
207.06497	2.3
211.05974	4.7
217.05031	1.4
219.06468	0.7
229.04971	1.5
235.06017	5.8
241.04913	1.3
245.04568	0.5
247.06055	3.3
249.11201	1.9
259.05960	3.0
275.09195	2.9
277.07074	1.4
281.08026	0.6
287.09122	4.4
299.09186	5.5
317.10242	9.0
318.10590	0.6
335.09229	0.5
341.10178	11.6
342.10562	0.6
353.10214	7.6
353.14063	0.4
365.10165	3.8
366.10553	0.5
371.11069	0.9
383.11316	4.3
395.10995	0.6
401.12518	2.7
407.11194	0.6
419.13684	3.0
599.21063	5.7
600.20581	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.01855	0.6
55.05512	0.7
67.05495	1.6
69.07056	1.0
71.35942	0.4
78.04703	0.5
79.05492	6.9
81.07043	1.9
83.08586	0.6
91.05470	4.3
93.07035	1.7
95.04977	2.7
95.08582	1.5
98.23410	0.8
103.05461	5.5
105.07024	7.2
105.26144	0.4
107.04946	47.3
107.08572	1.6
108.05282	1.5
109.06451	0.5
109.10143	0.5
115.05450	3.4
117.07025	1.5
119.04973	0.9
119.08560	1.0
120.05720	1.9
121.06502	1.2
121.10071	0.5
122.46877	0.4
123.04425	1.3
124.05188	1.2
125.05992	1.0
131.04904	0.7
131.08482	0.5
133.06459	0.9
133.10114	0.5
135.04347	0.4
135.08043	13.7
135.11664	0.5
139.03914	0.4
143.08554	1.0
145.06487	0.9
145.07588	1.0
145.10114	2.8
147.04405	1.8
152.04706	0.8
154.06241	4.1
155.06715	0.5
155.08505	0.7
158.07274	2.1
161.05870	0.4
163.07532	19.5
164.07883	1.1
167.07028	26.4
168.07352	0.7
173.09618	3.2
180.07788	4.9
181.04935	1.8
181.08562	3.8
194.09349	0.7
195.10149	100.0
196.10471	4.8
201.09100	5.3
219.10077	0.6
233.11682	4.6
246.98376	0.5
251.12834	3.4
387.17871	2.8
400.42831	0.4
464.65649	0.5
599.29675	0.8
599.50226	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3427
Annotation	Cyl-2
Peak:m/z	Relative Intensity
53.03951	4.1
54.83012	1.1
55.01880	4.4
55.05510	9.9
57.03444	1.2
57.07070	2.6
59.05003	1.2
65.03939	1.7
67.05504	23.8
69.03436	9.6
69.07067	18.3
71.04984	5.1
71.32551	1.5
72.03254	1.0
75.44800	1.1
79.05484	9.5
81.03419	10.3
81.07061	27.8
81.07509	2.2
83.04987	10.2
83.08618	6.8
85.02877	2.0
85.06548	4.4
91.05469	6.2
93.07050	20.7
94.06575	1.7
95.04961	4.6
95.08604	36.6
97.02884	2.8
97.06531	4.9
97.10184	2.6
99.04456	5.2
99.08104	2.8
100.65100	1.1
101.06022	1.4
103.05479	2.3
105.07027	14.0
107.04985	2.1
107.07906	1.2
107.08590	36.6
109.02871	7.7
109.06509	12.2
109.10158	95.0
110.10490	2.4
111.08093	5.4
111.11785	1.3
113.09630	2.0
117.07020	3.2
119.08578	43.4
121.06507	5.6
121.10143	22.2
122.06046	4.6
123.04416	1.9
123.08060	12.8
123.11691	8.8
125.09584	1.9
127.03925	5.7
131.08588	3.2
133.10135	20.6
135.08101	2.6
135.11694	100.0
136.12032	3.5
137.05988	3.3
137.09625	14.4
139.03966	1.2
139.11180	2.4
140.07047	9.8
145.10130	9.7
146.06027	2.3
147.04417	2.2
147.08057	1.4
147.11707	3.6
149.05998	1.9
149.09636	4.7
149.13289	6.3
151.03923	3.8
151.07533	4.6
151.11182	7.4
151.14815	8.6
152.39568	1.4
153.01820	1.6
153.12740	4.3
157.10074	1.6
159.08044	1.5
159.11777	1.6
161.06001	1.3
163.03906	1.8
163.11189	17.1
165.09178	1.4
165.16403	2.5
167.10669	6.9
169.08618	21.7
170.08948	1.3
173.04828	1.5
174.05481	5.7
175.14824	42.8
176.07111	3.5
176.15131	1.8
181.04980	1.6
181.12207	3.8
183.56842	1.3
185.11798	1.5
191.10736	9.3
193.15886	58.6
194.16333	2.0
209.11757	8.8
211.16927	45.1
225.10310	1.8
227.12823	26.8
238.10933	1.5
253.09912	1.7
269.12988	2.0
283.10626	2.5
285.12396	2.1
287.13965	1.5
299.09259	1.8
311.09152	3.7
313.11841	7.6
316.14441	1.6
328.14706	1.3
330.16016	2.1
331.12997	1.9
331.16733	1.8
335.15005	1.7
342.12555	2.4
353.15857	7.2
354.16165	1.7
356.13635	2.4
357.14670	1.7
358.15381	2.2
371.16971	4.6
372.17239	1.7
384.13434	4.5
388.16766	1.6
398.14755	4.9
399.15771	5.6
400.16385	8.2
415.18137	1.5
417.16772	2.7
418.17575	2.6
430.17767	1.8
458.17065	18.6
459.17880	10.0
460.18665	3.1
527.28558	2.4
581.23834	2.9
599.24658	15.4
599.33582	19.4
600.25140	2.0
600.34039	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	599.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47331	1.9
51.02372	2.0
53.03942	6.5
55.05511	4.3
57.07064	2.5
57.52552	1.8
59.62418	1.8
65.03941	2.1
67.05502	7.5
69.07085	10.1
71.05002	3.2
79.05492	27.6
81.07059	9.8
83.01350	2.2
83.04947	2.4
91.05486	20.5
93.07044	55.0
95.04973	6.6
95.08606	3.4
97.06558	3.0
98.22549	3.8
105.04544	2.3
105.07025	10.1
107.08595	50.5
109.06525	4.4
109.10145	10.8
113.06017	11.6
119.08554	2.7
121.06523	3.2
121.10130	6.4
123.08069	2.8
133.10133	6.7
134.10472	2.3
135.08028	2.0
135.11690	47.0
137.05991	8.8
139.11189	3.6
141.05473	7.3
145.10225	2.7
149.09538	2.8
151.07558	2.5
153.05484	25.1
165.09125	16.2
167.10660	2.1
175.07561	7.9
191.07112	3.0
192.07785	3.0
193.08603	47.1
195.10349	2.2
205.08704	3.0
209.08147	4.4
211.09650	100.0
212.10028	6.0
223.09612	9.2
237.14839	14.3
247.13275	4.6
265.14334	5.6
272.37158	2.1
275.16370	18.6
284.98611	2.1
327.19443	2.9
345.20621	10.5
429.22620	20.0
431.45990	2.0
496.24243	2.1
581.34247	12.1
589.47534	2.3
599.35535	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	599.3762
Annotation	Sarcohydroquinone sulfate A
Peak:m/z	Relative Intensity
53.03945	0.4
67.05495	1.3
69.32771	0.7
69.33176	2.2
75.62814	0.3
79.05516	0.7
81.07062	1.1
91.05469	0.6
93.07059	0.7
95.08624	0.6
106.94650	0.4
107.04960	0.4
119.08601	1.0
121.10148	0.5
133.10123	0.5
145.10144	0.4
163.07698	0.3
165.09041	0.3
167.07030	0.7
181.05049	1.1
195.10202	0.4
243.13654	0.8
288.13397	0.9
532.73767	0.4
599.37732	100.0
600.23132	0.5
600.38092	12.4
609.50177	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.5033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.7
55.05509	24.6
57.07077	6.8
67.05504	86.3
69.07051	31.6
69.88792	20.6
75.16167	6.9
79.05487	30.6
81.07062	100.0
83.08636	17.3
89.06039	7.6
90.21133	5.8
91.05473	24.3
93.07043	25.1
95.08611	67.3
97.10164	8.3
104.99290	6.6
105.07063	10.6
107.08602	6.7
109.10149	22.5
119.08553	7.7
121.10149	28.6
123.11721	13.9
135.11700	10.9
137.13271	8.8
143.84457	5.7
202.73254	7.3
245.45634	5.8
263.23572	6.9
471.91342	7.9
599.50470	64.7
600.36157	7.5
600.50470	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	600.265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
55.28545	0.2
58.83179	0.2
69.03409	0.4
69.55211	0.5
69.55610	1.1
78.04699	1.1
79.05479	1.2
81.03423	0.4
81.07039	0.3
85.02902	1.4
89.82325	0.2
91.05462	0.7
95.04948	0.3
97.02884	0.6
103.05479	0.6
105.07019	3.2
106.04151	0.9
107.04946	1.5
109.02872	0.3
109.06483	0.3
115.05436	0.8
117.07001	0.5
121.06487	0.7
122.03642	0.3
123.04417	3.8
124.05219	1.2
131.04921	0.2
133.06490	3.2
137.02376	0.3
137.05923	0.7
143.06027	0.4
145.06477	0.5
149.05948	0.7
151.03876	0.9
152.04688	1.4
153.01801	0.5
159.08022	0.5
161.05972	6.3
162.07576	0.3
165.08974	0.2
167.07024	100.0
168.07359	3.5
173.05986	0.5
174.06372	0.6
179.07106	0.4
180.08681	0.3
181.08571	0.9
183.92773	0.3
187.07544	0.9
190.06229	0.6
191.06767	0.3
193.08598	11.5
194.08965	0.6
204.07843	0.6
205.08556	1.0
206.08923	0.4
211.09642	11.8
212.10074	0.5
217.08650	0.4
219.10239	1.3
231.10201	0.4
235.09544	0.2
288.28961	0.2
385.16269	1.0
600.23651	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.3
53.70089	1.0
55.01862	1.2
55.05503	1.1
69.03429	2.6
70.45076	2.3
73.04118	0.8
74.44740	0.8
78.04706	1.5
79.05489	8.1
81.03403	1.8
83.04961	1.5
85.02908	7.3
91.05474	6.1
93.07054	1.9
95.04964	3.6
97.02895	4.0
100.07614	1.2
100.11270	3.5
101.11600	1.4
103.05486	1.5
105.07024	2.1
106.04216	1.0
107.04958	20.5
109.06521	1.1
111.04417	2.0
115.05467	2.1
116.06254	1.7
119.04960	1.1
121.02919	1.8
121.06520	2.5
122.03664	1.1
123.04446	9.0
124.05226	4.4
125.05978	2.0
127.03941	1.5
128.06206	2.2
128.07080	1.1
129.06990	11.0
131.04922	1.8
131.08557	17.1
133.06496	2.9
137.02324	6.0
137.06000	1.9
139.03915	1.0
140.04663	1.4
141.06989	3.6
144.05692	6.0
145.05003	1.5
145.06468	1.3
147.04402	1.5
149.06000	3.0
151.03897	4.9
151.07568	1.2
152.04710	3.0
153.01817	7.7
153.05565	1.1
155.07037	2.7
157.06520	2.9
159.08054	30.1
160.08542	1.8
161.05977	3.9
161.09596	2.1
167.07034	100.0
168.07382	4.2
169.07596	5.2
170.07251	8.5
171.02913	1.5
171.07988	1.3
172.05203	1.9
173.05887	1.0
175.07582	3.0
177.05486	2.3
179.07027	1.7
180.08696	2.1
181.04991	3.1
181.08563	7.6
182.15462	2.5
183.06551	2.1
187.07526	46.9
188.07999	3.0
189.05515	1.9
189.09100	5.6
193.08618	1.6
198.06793	2.0
203.10712	1.2
204.07809	40.6
205.08344	2.3
207.06602	2.2
210.14882	3.4
211.15286	2.1
211.51567	1.0
216.07777	5.7
218.07256	1.7
219.10146	59.3
220.10509	3.1
221.11700	4.3
231.10153	36.6
232.10576	1.5
233.09666	2.1
237.11343	1.6
249.09048	1.4
249.11252	9.2
250.09885	1.1
260.08228	1.1
261.09140	2.5
263.07034	2.6
265.12198	1.4
267.06534	2.0
267.12387	5.1
269.07990	1.5
278.09433	3.9
279.09842	1.3
282.08856	4.6
287.05484	5.0
287.08786	1.7
293.11743	3.5
297.05865	1.1
303.04965	3.7
303.08133	1.0
307.09558	1.3
309.11032	1.1
310.08200	2.5
310.11731	1.5
315.08588	3.1
321.11221	3.9
323.09048	2.0
325.14410	1.9
328.09436	1.7
329.09930	1.5
330.11102	2.9
341.10001	1.0
343.11774	10.3
344.12195	1.7
353.13712	8.1
354.14423	1.5
355.12045	1.2
373.16446	2.1
385.16403	42.3
386.16776	2.8
403.17740	1.7
419.44376	0.9
582.40210	1.8
599.40356	1.2
600.20947	1.2
600.42206	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	600.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01665	0.3
55.79710	0.3
57.03438	0.3
69.03426	0.5
69.83073	0.5
69.83457	0.6
74.30737	0.3
85.02904	1.6
91.05461	1.3
97.02885	0.4
105.07031	0.5
107.04921	0.7
112.73197	0.3
115.05467	0.6
116.06206	0.3
117.07006	0.8
127.03926	0.3
128.06212	1.8
129.06998	4.4
131.04897	0.5
131.08562	5.1
132.05659	0.3
133.06474	0.8
133.10147	0.7
141.06967	2.1
142.07756	0.5
143.08572	1.3
144.05675	2.4
145.06487	1.3
146.07259	1.1
147.04372	0.4
147.08063	0.3
153.07027	0.4
157.06477	2.5
158.07233	0.3
159.08052	10.8
160.08388	0.5
161.05983	0.6
161.09630	2.6
167.07027	0.7
169.07605	0.7
170.07211	1.6
171.08026	2.0
172.05174	1.0
173.05975	0.9
174.06706	0.8
175.07559	0.9
184.05304	0.4
185.05942	0.3
186.06671	0.3
187.07533	8.4
188.08084	0.6
189.05498	0.3
189.09108	3.9
190.06326	0.6
191.07022	0.5
192.07899	0.3
193.08664	0.4
198.06741	0.7
199.07570	1.2
201.05496	0.3
203.07024	1.3
204.07799	4.2
205.08464	0.8
206.09445	0.4
216.07819	1.4
217.08553	0.6
218.09364	0.6
219.10181	2.4
221.08110	0.3
221.11734	1.5
231.10182	3.7
232.10448	0.3
234.57726	0.3
237.11221	0.7
249.11209	100.0
250.11560	5.7
267.12238	2.7
335.33667	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.3
55.01873	0.4
57.03430	0.4
61.02925	0.4
68.15289	0.2
69.03409	1.0
70.20875	0.9
73.35515	0.2
74.00195	0.2
74.62127	0.2
79.05441	0.3
81.03423	0.5
85.02888	1.7
91.05452	1.4
97.02884	0.9
105.07005	0.8
107.04953	2.3
108.05285	0.4
109.02856	0.3
109.06536	0.3
109.36039	0.3
115.05436	1.2
116.06229	0.5
117.06995	0.9
121.02850	0.4
121.06511	0.3
123.04429	0.3
127.03905	0.5
128.06197	2.4
129.06989	6.4
131.04893	0.6
131.07640	0.5
131.08560	6.7
132.08929	0.4
133.06464	1.1
133.10141	0.6
137.05978	0.4
141.01894	0.3
141.07021	2.6
142.07747	0.5
143.08562	1.4
144.05692	3.2
145.02870	0.3
145.06500	2.3
146.07225	1.0
147.04390	0.8
151.07501	0.3
153.01816	0.7
153.07022	0.6
155.04863	0.2
155.06027	0.6
157.06470	3.5
158.07201	0.6
159.08044	12.1
160.08388	0.3
161.05969	1.0
161.09608	2.9
162.07579	0.6
167.04973	0.3
167.07028	3.5
169.06393	0.5
169.07637	1.4
170.07259	2.7
171.08038	2.5
172.05182	0.9
173.05946	1.7
174.06744	0.9
175.07564	0.7
177.05528	0.8
180.08656	0.8
181.04922	0.3
185.05989	0.4
187.07535	9.7
187.09207	0.6
188.08131	1.0
189.05464	0.7
189.09067	4.2
190.06145	0.7
190.09492	0.3
191.06915	0.4
193.08577	0.4
198.06743	0.7
199.07466	0.9
201.05507	0.5
201.09059	0.3
203.06999	1.5
204.07785	5.7
205.08498	1.0
206.09435	0.4
207.10139	0.3
216.07848	2.2
217.08635	0.5
218.09302	0.6
219.10115	2.7
221.08165	0.5
221.11732	1.6
231.10161	3.1
234.08673	0.5
237.11206	0.8
249.11201	100.0
250.11569	5.4
251.09129	0.5
267.12323	1.3
385.16733	0.6
600.20514	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.9
55.01871	1.1
63.53038	0.8
67.05492	4.4
69.03431	12.6
69.08340	8.1
73.02897	0.9
77.03891	0.9
79.01837	2.3
79.05486	2.6
81.03404	5.9
81.07047	10.2
83.04980	1.1
85.02917	5.2
91.05475	2.5
93.07027	3.5
95.04977	1.1
95.08600	5.3
97.02918	4.2
97.06516	0.9
98.23296	1.8
105.07053	5.4
107.01326	1.6
107.08591	3.2
107.90824	0.8
109.02871	5.0
109.10149	2.8
109.44840	0.9
111.04408	0.8
115.03931	1.2
117.07034	1.1
119.08581	5.6
121.02870	0.8
121.10142	1.8
123.10866	1.6
123.11698	22.2
125.02353	2.5
127.03918	7.6
129.05482	10.1
131.08527	4.1
133.10121	3.1
135.07994	0.9
139.03850	1.0
141.12701	1.4
143.03368	4.7
143.07019	1.0
143.08549	1.0
145.05023	1.2
145.10115	3.9
147.11700	8.5
149.13272	2.3
153.01819	100.0
153.02866	3.9
154.02119	2.0
156.09431	0.9
159.11676	3.1
161.13287	5.7
167.06999	1.9
168.95013	0.8
171.02910	11.9
173.13275	7.4
176.07063	1.0
181.04967	1.6
189.12680	1.9
201.12737	3.5
207.13814	1.4
209.07980	0.9
219.13824	3.4
221.15279	2.0
233.15349	2.7
237.14856	6.9
239.16318	3.9
251.16496	4.6
269.17487	9.6
279.05026	0.9
279.11282	4.4
280.32645	0.8
297.06021	4.6
297.12308	1.9
302.04697	0.8
315.07053	21.1
337.11816	1.5
338.12668	1.1
339.13217	3.8
460.18256	2.9
478.19711	1.2
531.40167	0.9
601.28094	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	600.265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.4
55.01868	2.9
55.05508	2.5
57.03431	1.5
59.04992	1.0
61.02890	0.8
65.03938	2.1
67.05498	3.2
68.99776	0.9
69.03429	4.1
69.07071	3.6
75.04472	3.3
77.03898	1.4
78.04684	2.1
79.05493	6.3
81.03409	2.9
81.07047	3.9
83.04974	4.4
85.02885	5.0
90.63313	0.8
91.05477	14.0
93.03414	7.0
93.07046	7.6
95.04947	5.3
95.08606	3.1
97.02887	3.4
97.06522	5.8
98.22557	2.2
99.04460	1.8
103.05460	9.9
104.06248	0.9
105.07034	19.2
106.04167	12.2
107.04951	6.5
107.08587	3.4
109.02886	3.5
109.06528	3.7
109.10148	1.7
111.04421	1.8
113.02322	1.4
114.05882	0.8
115.05427	1.2
117.07018	1.7
118.04165	15.5
119.04946	3.7
119.08605	2.3
120.05680	1.2
121.02844	2.5
121.06504	20.7
121.07322	1.6
121.10150	3.1
122.06024	1.9
122.07298	1.5
123.04469	4.6
123.08032	1.4
124.05231	7.8
125.05991	9.0
127.03912	2.5
131.04929	2.9
131.08542	2.5
132.05670	1.5
133.06482	22.7
133.10098	1.9
134.03644	2.2
134.07242	2.2
135.04417	26.0
135.05470	1.3
135.08017	4.0
136.04747	6.8
137.05962	8.6
137.09641	1.2
139.03899	2.4
139.07539	1.8
140.07076	4.9
143.07002	3.3
145.02797	1.4
145.04962	1.2
145.06465	2.1
145.10112	4.9
146.06015	1.4
147.04414	1.5
147.07956	0.9
147.11653	1.2
148.05174	1.5
149.05978	26.2
149.09673	1.9
150.06735	9.6
151.03874	3.0
151.07503	5.3
153.01833	3.7
153.05495	2.3
153.09074	7.3
158.07274	1.0
159.08038	2.1
159.11691	3.4
161.05986	8.4
163.03955	3.1
163.07532	3.1
163.11206	2.5
165.05559	0.9
165.09102	12.7
167.07033	6.4
169.10143	1.2
171.06517	1.8
173.09630	2.5
174.05464	3.6
175.03827	1.0
175.05995	1.7
175.07428	1.9
177.05461	16.7
177.12759	1.1
179.06972	1.1
181.08575	11.4
187.11179	5.0
189.09053	1.2
191.07062	4.3
191.10645	2.1
193.08597	88.7
194.08968	3.8
195.06525	2.8
203.07083	1.5
205.06520	0.9
205.12221	5.2
209.08080	100.0
210.08449	3.0
215.10619	6.1
219.10188	1.1
221.08011	1.9
221.11708	1.6
227.12689	1.2
233.11647	4.9
251.12669	4.9
269.13239	1.6
270.13156	1.3
285.12100	1.2
288.14771	0.9
303.05054	5.4
304.05460	5.8
313.11850	2.6
314.12064	2.6
316.14297	1.1
327.12173	1.5
331.12781	1.0
331.16516	1.3
343.13055	1.4
345.17621	1.0
359.15845	1.0
373.16684	2.0
385.16647	1.6
395.16702	1.0
399.15277	2.0
400.16150	3.0
401.16812	3.4
418.17447	1.3
458.17017	1.2
459.17349	7.7
460.18307	4.1
600.30341	4.0
601.30872	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	600.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.5
53.44551	1.0
55.01861	2.3
57.03432	1.6
65.03924	2.7
67.05494	2.0
68.31211	1.1
69.03419	2.6
69.07067	1.7
69.48092	1.0
71.05000	1.5
75.04453	2.5
78.04697	1.6
79.05492	7.7
80.08477	0.9
80.68417	0.9
81.03410	3.4
81.07056	3.7
81.18817	1.0
83.04964	1.5
85.02905	3.9
85.06567	1.1
86.09707	1.1
89.03975	1.2
91.05483	10.7
93.03397	7.5
93.07038	6.9
95.04959	4.6
95.08601	3.0
97.02860	1.6
97.06525	2.2
97.10161	1.3
103.05473	9.3
105.07035	20.6
106.04176	10.9
107.04936	4.6
107.08595	2.8
108.05717	1.2
109.02849	2.4
109.06522	2.1
109.10162	1.7
113.03500	1.3
117.03355	1.1
117.06960	1.6
118.04158	14.1
119.04989	2.3
119.08601	1.9
120.05657	1.5
121.02849	3.7
121.06503	16.2
121.10133	4.0
122.07298	2.3
123.04440	2.3
123.08114	1.7
124.05221	7.3
124.59344	1.0
125.05979	3.2
127.03905	2.2
131.04903	2.7
133.06485	23.0
133.10191	1.9
134.07141	1.2
135.04367	3.4
135.08029	5.2
137.05980	6.5
137.09573	1.3
139.03915	1.5
140.06998	1.3
145.02823	1.0
145.10068	2.0
147.04361	1.9
147.11699	1.3
148.05144	1.4
149.05977	24.9
149.09575	1.3
149.13261	1.3
150.06787	12.2
151.03949	2.2
151.07559	4.4
153.01799	2.1
153.05466	3.0
153.09061	6.0
159.04387	1.3
161.06012	5.8
163.03807	2.8
163.07558	2.5
163.11226	1.5
164.41692	1.2
165.09116	12.8
167.07047	6.4
175.27846	1.0
177.05473	14.8
178.04851	1.1
181.08600	12.9
191.07019	4.5
193.08601	100.0
194.08958	3.7
195.06502	1.8
195.10222	1.4
206.04478	2.0
209.08096	86.7
210.08424	3.9
210.11464	1.2
226.14287	1.3
239.15355	1.5
240.15906	1.6
251.11607	1.4
252.11995	1.1
263.11792	4.2
264.12198	3.0
265.13239	2.0
268.77789	1.0
277.09723	2.5
278.09970	3.5
279.11215	3.1
282.35880	1.1
292.11627	1.4
293.12646	2.7
294.13217	1.7
295.11020	1.2
296.11014	2.1
297.12311	1.5
303.08664	1.1
309.12445	5.6
310.12704	6.5
311.13034	1.3
315.05048	1.2
319.10657	2.0
320.10974	2.2
337.11774	12.3
338.12213	21.2
339.12875	5.4
373.16272	1.7
385.16568	1.7
407.80069	1.1
460.18353	2.4
478.19604	2.9
479.20160	6.9
502.20428	1.1
600.30878	16.9
601.28156	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	600.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
55.01872	1.5
55.05506	4.7
56.05043	0.7
57.03421	0.7
57.98796	0.7
58.99581	19.4
67.05496	10.1
69.03411	0.6
69.07063	4.6
69.28227	1.2
69.28613	4.0
71.04989	1.1
73.04224	0.5
76.02222	80.6
76.03973	2.7
78.03735	0.5
79.05486	7.7
80.05013	1.0
80.10786	0.6
81.07051	10.8
83.04974	2.8
83.06096	2.2
83.08615	1.9
84.04496	13.4
86.99041	4.6
88.02213	2.2
88.28114	0.5
91.05469	7.2
93.07030	9.0
95.04965	2.2
95.08598	7.7
97.01100	0.7
97.06528	1.2
97.10165	2.1
99.05569	1.1
102.05528	0.6
105.07024	10.5
107.04955	2.5
107.08585	5.7
109.06512	4.7
109.10142	3.2
111.08085	0.9
116.01664	22.5
117.07045	2.6
119.08569	5.6
120.90500	0.6
121.06508	4.0
121.10128	2.9
123.08069	1.9
123.11673	1.2
125.09621	1.2
129.06662	1.2
130.05005	7.2
131.04909	0.8
131.08546	6.1
133.06444	1.1
133.10101	7.5
135.08034	2.3
135.11688	2.1
137.05968	0.7
137.09660	1.2
139.04013	0.6
141.04788	1.1
142.03212	9.5
143.08517	1.8
144.01134	13.1
145.06206	1.6
145.10124	5.4
146.02629	0.8
147.08041	1.5
147.11678	4.3
149.09599	2.7
149.13269	1.7
151.11153	1.9
155.08537	1.4
157.10101	1.8
159.08058	1.0
159.11646	3.2
161.03818	0.7
161.09584	2.4
161.13206	1.4
162.02187	44.4
163.02434	0.8
163.11125	2.3
167.07036	2.5
170.02727	3.8
171.11661	1.2
173.09631	0.9
173.13268	1.9
175.11153	0.7
177.12730	1.2
179.04837	100.0
180.05154	2.7
187.05347	3.0
187.11113	1.2
189.12735	1.0
191.14278	1.3
193.74152	0.6
199.05313	0.5
201.12737	1.3
207.13841	2.7
209.07977	0.8
209.11652	0.8
209.51228	0.7
215.04855	1.6
215.14328	0.7
215.17903	0.8
219.13788	1.7
229.19522	0.7
233.05887	13.9
233.18932	0.7
234.06140	0.7
239.18002	0.9
245.05913	3.6
247.20595	0.9
255.17114	0.7
257.19058	4.0
272.06848	0.9
273.18448	3.1
275.20038	32.1
276.20325	2.2
290.07913	0.8
291.06332	3.1
291.19531	3.1
293.21072	20.5
294.21313	1.6
308.09073	29.5
309.09155	1.5
350.21646	0.6
351.19705	0.7
368.22488	8.8
369.22675	1.0
378.20947	0.9
453.24149	5.1
471.25250	1.4
525.26202	3.8
582.28546	0.7
600.29358	5.7
601.28400	1.6
626.30432	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
53.43625	0.4
55.01871	1.6
55.05511	4.9
56.05018	0.7
57.03429	0.9
57.07075	0.5
57.50091	0.5
58.99581	1.5
65.03928	0.9
67.05505	9.8
69.03440	0.8
69.07075	5.1
70.06595	0.6
70.09135	0.5
71.04988	1.3
71.82473	0.5
73.01145	0.5
74.00666	2.9
76.02242	2.8
79.05498	10.0
80.05019	1.7
81.03422	1.9
81.07056	24.7
82.07401	0.7
82.32584	0.5
83.04980	1.6
83.06101	1.9
83.08622	3.2
84.04504	5.8
85.01125	1.6
85.02911	1.1
85.06528	0.7
86.00630	0.5
88.02240	0.6
89.26121	0.4
91.05473	7.4
93.05812	0.5
93.07045	10.1
94.06599	1.0
95.04984	3.7
95.08604	12.6
97.01124	1.4
97.02905	0.6
97.06521	1.7
97.10167	0.7
99.01418	4.9
99.04443	0.4
99.05575	0.8
99.08068	0.7
100.02205	5.5
102.05441	0.5
103.05438	0.8
105.07025	8.0
106.07317	0.5
107.04948	2.5
107.07393	0.5
107.08586	7.1
108.08129	0.9
109.02944	0.6
109.06532	4.2
109.10164	4.8
110.10505	0.6
111.02681	1.0
111.04462	0.5
111.08103	1.2
112.02197	9.0
112.02926	0.8
113.02985	1.8
113.04198	0.8
114.03753	8.5
114.18291	0.4
115.05482	0.6
116.01684	2.4
117.07018	2.3
119.08591	6.8
120.08117	1.3
120.08893	0.5
121.06509	1.5
121.10140	4.8
122.09730	0.7
123.02634	1.3
123.04433	2.0
123.08067	1.5
123.11729	1.7
125.04234	2.0
125.09665	0.8
126.03746	3.3
129.06653	1.8
130.04991	1.6
131.04926	0.5
131.08563	4.6
133.06483	0.6
133.10130	4.9
134.09686	0.7
135.02605	0.7
135.04393	0.6
135.08072	1.8
135.11682	1.4
137.04201	0.8
137.06003	1.5
137.09596	0.6
138.03665	2.5
139.03174	0.6
140.05287	8.2
141.07001	0.8
142.03197	1.0
143.08591	1.3
145.06241	0.8
145.10135	3.5
147.04404	0.9
147.08061	1.3
147.11679	3.6
149.06038	0.7
149.09648	2.4
149.13255	2.2
151.03867	1.1
151.07544	0.8
151.11092	0.9
152.05247	2.4
153.01857	1.1
153.06657	0.7
154.06836	1.6
157.10091	1.0
159.08061	0.6
159.11726	1.7
161.06027	0.8
161.09630	0.6
161.13289	1.5
162.02202	1.3
163.11211	2.3
163.14824	1.2
165.05449	0.6
165.12659	0.9
166.06909	1.4
168.08415	16.4
169.08687	0.9
171.11655	1.0
173.09631	0.5
173.13208	2.6
175.11217	0.8
177.05536	1.2
177.09303	0.5
179.03526	0.5
179.04892	1.9
181.04913	1.0
183.11656	0.6
185.03870	2.3
187.05388	1.0
189.16170	0.6
191.14330	1.3
193.12257	0.7
197.13266	0.6
199.14880	0.5
201.12711	0.6
201.16492	0.7
202.04146	1.9
207.13698	0.8
209.15390	3.2
215.04857	0.7
216.05640	2.9
222.14948	0.9
223.13353	0.6
231.04300	4.4
233.05914	1.3
236.14601	1.1
236.16708	0.9
241.06406	1.7
255.08054	2.6
257.19040	0.7
264.14169	7.2
265.14874	1.2
269.09592	1.5
270.10330	7.3
271.10956	1.1
275.20056	8.0
276.20282	0.5
281.14587	2.2
282.15216	34.9
283.15576	1.8
285.11246	0.8
293.20999	3.1
299.09195	0.5
299.12610	0.6
303.08496	0.6
307.17093	0.7
308.09033	1.1
311.09186	1.6
312.09360	0.9
323.15948	0.8
332.20523	0.8
333.18790	2.9
339.17438	1.0
350.21469	10.0
351.19666	2.6
368.22552	9.9
369.23019	0.9
378.21231	0.9
384.17078	14.3
385.17764	4.2
429.18167	0.5
440.18500	0.5
453.24161	100.0
454.24564	8.4
479.25671	1.0
511.28482	0.8
525.26154	6.7
526.26349	0.7
582.28516	2.0
600.29785	5.9
601.30804	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	0.1
53.03949	0.5
55.01877	0.8
55.05516	0.3
57.03447	0.2
57.07069	0.3
65.03931	0.2
67.05501	0.8
69.07061	0.3
69.17349	1.1
71.08613	0.3
77.03939	0.3
78.04724	0.2
79.05489	4.1
81.03421	0.2
81.07049	0.7
83.08606	0.3
84.38603	0.2
89.06027	0.3
91.05479	2.6
91.54311	0.1
93.03385	0.2
93.07041	0.7
95.04962	1.7
95.08600	0.6
97.10178	0.2
103.05461	3.9
105.04523	0.2
105.07024	5.0
107.04948	39.4
107.08603	0.9
108.05275	0.7
109.06520	0.2
110.03637	0.3
111.04402	0.3
115.05462	2.7
117.07005	1.4
119.04933	0.4
119.08577	0.3
120.05730	1.1
121.06516	0.3
121.10133	0.4
123.04411	0.5
124.05194	0.8
125.05997	0.7
131.04929	0.4
133.02861	0.3
133.06482	0.6
133.08592	0.3
133.10106	0.2
135.04404	0.2
135.08046	12.2
136.08360	0.3
137.05992	0.3
139.03877	0.5
142.48985	0.1
143.08479	0.1
145.06526	0.3
145.07599	0.8
147.04373	0.9
147.11653	0.3
148.05199	0.4
149.05968	0.2
151.03888	0.3
151.07509	0.2
152.04611	0.5
154.06244	3.2
161.05978	0.2
163.03854	0.4
163.07538	18.0
164.07884	0.7
165.05470	0.6
167.07028	18.8
168.07362	0.7
173.13329	0.1
178.06244	0.3
180.07797	3.8
181.08630	0.2
193.08566	0.5
195.10153	100.0
196.08797	0.3
196.10507	3.9
203.10597	0.3
221.44542	0.2
235.13239	0.9
337.97302	0.1
389.19113	0.2
600.38776	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67405	0.5
53.03943	1.0
55.01858	1.2
55.05500	1.5
65.03929	0.7
67.05514	3.5
67.19800	0.5
69.07057	1.2
71.33811	0.6
76.22785	0.6
79.05482	5.9
81.07058	3.3
83.08610	1.5
85.06509	0.6
91.05470	5.5
93.07035	2.2
95.04948	2.4
95.08595	3.6
97.40463	0.5
101.92851	0.5
103.05474	4.6
105.07020	8.7
107.04951	45.7
107.08587	2.6
108.05298	1.2
109.10143	2.3
115.05447	4.1
117.06995	1.8
119.04920	1.1
119.08577	2.2
120.05716	0.7
121.06464	1.0
121.10139	1.0
123.04407	1.3
123.08050	0.7
123.11679	0.8
124.05213	0.6
125.05993	0.7
128.06213	2.8
129.06985	0.8
129.14821	0.6
131.08574	0.8
133.06493	7.3
133.10077	1.7
135.08038	12.9
135.11667	0.8
136.08466	0.7
139.03867	0.7
143.08553	9.6
144.08994	0.8
145.06525	1.1
145.07607	1.7
145.10104	2.0
145.83177	0.6
146.07231	0.8
147.04422	3.2
147.07997	1.1
147.11661	1.3
149.09494	0.5
154.06232	4.2
157.10143	0.8
159.07985	0.9
160.08821	1.2
161.05949	2.0
161.13300	0.8
163.03918	0.9
163.07536	20.1
167.07039	21.2
168.98560	0.5
170.95410	0.5
171.08044	6.5
175.07492	0.8
175.11182	4.0
175.14799	0.6
178.06233	1.4
180.07767	3.7
187.14835	0.8
188.08340	1.2
189.16472	0.6
191.07056	1.0
193.08556	1.7
195.10158	100.0
196.10492	4.5
203.10646	14.7
203.12431	1.1
203.14368	0.6
204.11203	0.7
206.09383	1.2
220.10902	0.7
235.13275	82.7
236.13612	4.5
266.21405	0.7
305.28464	0.6
437.34161	1.0
497.86597	0.6
600.37842	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	600.416
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	26.6
56.05846	6.4
57.07073	16.0
67.05502	39.2
67.51183	4.4
69.03439	6.9
69.07070	20.0
74.62512	3.9
79.05492	27.2
81.07041	36.9
83.04986	8.7
83.08624	18.1
85.06570	5.6
89.06039	16.4
91.05469	25.9
93.07044	53.4
95.04979	12.4
95.08609	35.3
97.06530	10.1
97.10160	22.2
105.07030	42.3
106.07806	5.7
107.08599	34.5
109.06525	18.4
109.10177	14.1
111.08066	5.7
117.07011	19.0
119.07767	3.8
119.08566	60.3
121.10144	37.0
122.07321	5.4
123.08058	23.3
125.06004	13.3
125.09634	15.6
126.09966	5.7
128.06259	4.3
129.07011	9.4
131.08568	29.8
132.09349	4.7
132.56137	4.2
133.08594	14.3
133.10118	24.4
133.86603	4.5
135.08043	19.4
135.11690	10.3
137.09608	11.1
139.11179	7.5
142.07750	6.3
143.08574	17.4
144.09378	6.6
145.10129	45.3
147.08038	28.1
147.11691	10.2
149.09584	11.8
151.07574	14.6
151.26894	4.4
153.09102	6.6
155.08589	14.7
156.09364	7.0
157.10092	34.5
158.10924	7.8
159.08060	10.3
159.11682	23.9
161.09612	14.0
161.13295	8.7
163.11177	24.7
163.67102	4.2
165.09116	51.9
166.09709	4.9
167.08557	6.2
168.99623	4.7
169.10107	10.4
170.10881	4.8
171.11736	18.9
173.09601	9.2
173.13339	8.3
175.11151	23.5
177.09151	5.0
181.10088	9.1
181.12279	20.4
183.11714	16.2
185.13234	12.9
187.11156	6.7
189.11229	31.4
189.12743	10.5
190.11565	7.0
191.10677	7.5
193.10381	4.2
193.12282	11.8
195.11679	7.2
197.13341	11.3
199.11162	5.0
201.12810	6.4
203.14314	28.4
207.11739	5.4
207.13721	9.6
208.14482	7.2
209.13316	7.0
211.14949	5.1
213.12779	7.3
219.13808	7.5
221.13202	8.0
221.15335	100.0
222.15794	5.9
224.11749	4.6
225.12816	4.3
225.16342	4.5
234.16138	22.3
244.44113	4.0
247.16840	28.4
259.17029	8.4
274.19324	11.9
281.18787	6.0
285.18527	5.8
286.19418	5.3
287.20126	10.6
295.53992	5.3
297.18524	6.5
299.20023	13.4
301.16382	5.8
311.19882	5.1
313.21576	5.7
325.21530	12.3
337.21558	5.5
339.23209	5.9
339.29221	6.1
340.23959	16.7
341.24652	4.7
352.23828	30.0
365.20239	4.5
365.24680	7.7
379.26285	7.5
419.29581	9.5
420.29620	5.1
426.27341	6.9
427.28503	9.2
440.29135	48.8
508.36160	5.4
520.35553	30.4
600.42078	22.0
600.50336	6.6
601.41559	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	600.417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	5.4
55.01870	3.0
55.05513	11.0
57.07071	17.7
59.04996	4.7
65.03923	2.5
67.05508	27.0
68.05822	3.2
68.10396	2.1
69.03445	11.4
69.07073	15.1
70.07403	2.0
71.04993	5.0
77.03957	1.9
79.05495	27.2
80.05843	3.7
80.06284	2.6
80.27332	1.8
81.03407	3.5
81.07059	45.3
81.07512	3.8
82.07394	7.3
83.04974	10.5
83.08633	5.2
85.06538	5.1
89.06042	4.5
91.01385	1.8
91.05482	43.0
92.05776	3.1
93.07050	65.5
94.07383	9.6
95.04973	19.5
95.08610	30.8
96.05299	2.9
96.08957	4.2
97.06546	12.5
97.10184	3.4
98.23360	3.8
103.05461	4.3
105.07038	61.7
106.07330	5.4
107.04945	4.1
107.08597	43.3
108.08916	4.5
109.06512	18.3
109.10147	13.3
111.08070	3.7
113.06008	2.7
115.05463	4.4
117.07032	18.7
119.08586	62.2
121.06520	10.5
121.10159	28.8
122.10495	4.0
123.08088	25.9
123.11704	22.8
124.12053	6.8
125.05980	10.2
125.09636	3.5
128.06238	8.6
129.07021	15.4
130.07785	5.3
131.08571	25.9
133.06519	2.9
133.08603	4.3
133.10139	35.6
134.10536	6.5
135.08060	20.2
135.10760	2.9
135.11670	16.9
136.08406	3.0
136.12073	6.2
137.05952	3.9
137.09630	15.7
139.07573	3.0
139.11200	7.0
141.06998	4.2
142.07767	12.2
143.08559	27.1
144.09363	4.8
145.06573	4.0
145.10147	39.3
147.08047	30.7
147.11708	6.0
149.09621	15.8
149.13202	2.9
150.10245	2.6
151.07556	13.6
151.11189	5.8
152.07919	2.6
153.09088	2.4
154.07732	3.5
155.08563	15.8
156.09344	8.7
157.10150	31.0
158.10887	5.9
159.08046	9.5
159.11713	29.6
160.08870	3.2
160.12299	2.3
161.09590	11.4
161.13261	9.3
163.07510	2.9
163.11221	15.1
164.11493	2.8
165.06992	3.0
165.09126	47.1
166.09445	2.8
167.08638	5.5
167.10683	3.3
168.09363	3.7
168.10968	2.2
169.10085	14.2
170.10919	4.6
171.08022	2.2
171.11693	19.8
172.08836	2.3
172.12350	2.3
173.09618	6.9
173.13283	8.7
175.07672	2.5
175.11166	17.6
175.14777	2.5
177.09067	4.5
177.11092	1.9
177.12698	2.7
179.10721	2.1
180.09312	2.2
181.10136	7.5
181.12303	13.9
182.10956	5.5
183.11694	14.6
184.12334	4.1
185.09647	3.3
185.13280	6.6
187.11240	6.1
187.14832	2.7
189.12738	6.7
190.13499	8.4
191.07022	4.6
191.10667	5.0
191.14330	2.8
193.08727	4.5
193.10185	5.1
193.12230	13.0
194.09100	2.3
194.10883	3.5
195.11723	9.3
195.13480	2.0
196.12498	5.1
197.08049	2.5
197.09647	3.4
197.13239	9.5
198.08409	2.1
199.11209	7.9
199.14716	2.9
201.12756	8.2
203.14334	21.1
205.04950	6.5
206.05354	3.9
207.11865	3.6
207.13823	8.9
208.12503	2.2
208.14537	6.1
209.08018	3.9
209.09766	2.3
209.13304	9.7
209.15024	2.7
210.13918	2.4
211.09634	6.7
211.14767	8.9
212.09970	4.8
212.15541	2.3
213.10262	1.8
213.12801	4.5
213.16347	2.8
215.14299	4.3
216.15256	2.3
219.13803	5.7
220.12364	2.7
221.13292	6.8
221.15355	100.0
222.15767	4.4
223.05968	4.7
223.11325	3.1
223.14909	5.9
224.15518	2.0
225.12779	6.5
225.16396	3.5
226.13101	2.5
227.14313	3.8
229.15776	2.6
233.15419	3.8
234.16136	16.1
235.14905	2.7
237.12726	3.8
237.14856	7.0
238.15179	9.3
241.15825	3.4
247.16957	23.8
248.17477	3.3
249.16495	2.6
251.14368	3.4
253.15996	2.2
259.16989	5.7
271.17130	2.2
274.19308	11.5
275.15540	2.1
285.18503	3.5
286.19217	3.8
287.19962	8.8
297.18527	3.7
299.20166	13.1
300.20908	4.5
310.19424	2.3
311.20151	5.8
312.20743	6.3
313.21567	4.7
315.18848	2.7
316.19800	4.0
325.21619	12.5
328.16318	2.7
337.21625	3.4
339.23108	6.0
340.24078	16.8
341.24399	2.4
345.16904	12.4
346.17303	11.8
347.18463	4.0
352.23959	24.3
353.24289	4.2
362.20651	2.5
366.25739	3.0
377.24896	3.0
387.25284	4.1
391.26099	3.9
400.26022	4.6
413.26776	2.6
419.29660	6.6
420.29987	2.9
425.26743	5.4
426.27570	4.7
427.28482	10.3
440.23660	3.6
440.29233	38.9
441.29456	3.0
442.30869	2.8
504.27069	2.5
508.35190	3.7
520.35547	21.1
521.36011	5.8
522.28241	2.8
564.31586	3.3
582.32648	8.6
583.41302	2.6
585.39380	3.5
600.33923	23.1
600.41919	7.7
601.42938	10.3
607.52423	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.7
55.05511	22.8
57.07072	10.2
59.04996	4.6
62.47644	2.3
65.03942	7.0
67.05501	33.6
69.03427	14.2
69.07069	22.0
70.48787	6.1
71.04991	10.1
79.05485	36.9
81.07053	37.2
83.04972	16.2
83.08605	12.8
85.06547	10.6
87.04461	3.8
89.06004	4.2
91.05477	65.7
93.07041	76.7
95.04967	26.9
95.08604	39.9
97.06533	17.7
97.10175	2.5
100.95085	2.6
101.05999	2.5
103.05460	5.2
105.04519	2.7
105.07026	100.0
107.04944	3.6
107.08590	64.4
109.06504	19.1
109.10155	34.7
111.08092	6.6
113.09638	7.7
115.05470	7.1
116.06270	3.1
117.07001	26.0
119.08575	79.6
121.06496	13.7
121.10140	58.6
121.10962	3.7
123.08065	31.1
123.11675	7.3
125.05978	2.9
125.09596	15.6
128.06187	19.5
129.06993	23.7
130.07793	8.6
131.08560	49.5
132.09354	4.2
133.06482	4.5
133.10115	50.2
135.08060	21.0
135.11662	12.0
137.09615	11.1
139.11188	4.9
141.06981	14.6
142.07777	30.7
143.08556	55.5
144.09355	13.5
145.06490	5.6
145.10123	71.9
146.07336	2.7
147.08018	17.9
147.11661	22.4
149.09615	18.1
149.13205	4.7
151.07547	8.3
151.11177	3.5
153.07080	6.8
154.07706	4.3
155.08559	25.7
155.10672	9.6
156.09314	22.9
157.10124	76.9
158.10909	12.6
159.08052	22.1
159.11688	53.2
160.08847	5.4
160.12315	3.3
161.09628	20.8
161.13234	10.1
163.11165	10.3
165.07031	9.4
165.09087	12.8
166.07738	5.9
167.08553	12.6
167.10652	17.3
168.09323	8.4
169.10144	34.0
170.10831	11.5
171.11681	42.1
172.12335	6.9
173.09604	15.4
173.13278	20.7
174.10458	3.4
175.11205	19.2
175.14865	7.0
177.12750	4.5
179.08569	12.7
180.09319	7.3
181.10120	18.3
181.12173	7.7
182.10919	9.6
183.11682	34.0
184.12383	7.5
185.09563	7.7
185.13232	27.1
186.13980	3.4
187.11168	13.7
187.14778	12.3
188.11833	2.4
189.12756	10.6
190.13559	5.7
191.08578	3.3
191.14345	4.2
192.09325	6.2
193.10135	18.0
193.12070	5.3
194.10938	15.2
195.11685	28.4
196.08916	4.1
196.12459	11.4
197.09576	5.4
197.13274	28.8
198.14169	4.3
199.11288	13.3
199.14789	16.2
201.12668	4.4
201.16479	3.3
203.14290	12.4
205.10207	3.3
206.10956	8.2
207.11684	22.9
207.13788	7.5
208.12524	12.1
208.14505	3.2
209.13239	26.7
209.15150	3.8
210.13994	7.3
211.11189	7.0
211.14806	22.3
212.11945	4.3
213.12729	9.3
213.16408	6.3
215.14319	10.4
217.10138	4.7
217.15945	4.5
218.16632	5.5
219.11664	6.4
219.13751	4.4
220.12428	7.2
221.13232	19.1
221.15401	23.4
222.13989	6.9
223.14827	20.4
225.12752	10.4
225.16325	10.6
227.14328	7.2
227.17906	4.3
229.15930	4.6
231.11705	5.9
232.12448	4.4
233.13176	10.5
233.15381	23.4
234.13968	3.9
234.16145	6.9
235.14795	12.6
236.15466	4.5
237.16409	10.7
239.14297	5.8
239.17931	4.3
241.15758	4.8
244.12372	2.9
245.13123	5.1
246.13892	4.1
247.14813	9.4
247.17044	5.7
249.16434	13.5
251.17915	5.9
253.15858	2.8
255.17415	33.3
257.13089	2.8
257.18967	3.4
259.14807	6.1
260.15567	4.8
261.16449	7.0
263.17963	8.8
265.15900	5.3
265.19476	5.3
267.17459	4.7
269.18976	10.2
270.19769	7.4
271.14810	3.5
271.20398	2.7
273.18677	5.0
275.17874	5.2
277.15970	3.0
277.19485	3.0
279.17477	5.1
281.19107	8.8
282.19611	3.3
283.20459	3.6
285.18573	3.7
286.19434	4.2
287.20016	5.3
289.19446	4.9
294.19760	4.6
295.20612	7.9
297.18552	3.1
299.20026	7.1
303.19565	4.2
312.20752	2.6
313.21661	3.9
347.23724	4.4
352.23990	11.3
365.24814	9.9
383.25931	5.3
490.34955	2.9
503.91470	3.2
507.34332	4.1
520.35150	3.0
600.41626	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	600.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41977	2.6
53.03937	4.3
53.36506	2.3
55.05511	22.2
57.07088	13.5
58.88280	2.4
58.91540	2.6
59.05001	6.2
65.03940	4.8
67.05497	39.0
69.03429	16.5
69.07059	22.4
70.06602	2.5
71.05005	3.9
71.34229	3.2
73.80280	2.6
79.05486	44.1
81.07050	58.9
83.04983	17.2
83.08624	8.6
85.06543	10.2
87.04433	5.0
89.06004	13.2
91.05476	59.3
93.05238	3.0
93.07037	73.0
95.04958	23.9
95.08593	49.4
97.06519	11.9
97.10182	3.8
98.78195	2.6
103.05468	6.8
105.07023	100.0
106.07325	3.8
107.04939	4.1
107.08588	56.7
109.06518	25.4
109.10149	21.9
111.04431	4.5
111.08073	9.1
115.05448	7.9
116.06243	3.1
117.07006	22.2
119.04876	2.6
119.08575	79.0
121.06508	17.9
121.10139	50.4
122.07280	4.8
123.08067	31.5
123.11690	7.6
125.05997	6.7
125.09624	10.6
128.06227	10.9
129.07010	31.1
130.07771	6.4
131.08559	50.1
132.09367	2.7
133.06470	10.9
133.07701	2.4
133.08606	9.5
133.10107	43.3
135.08061	32.7
135.11674	14.4
137.06017	6.0
137.09586	14.4
139.07541	4.9
141.06975	11.6
142.07770	34.6
143.08559	53.8
144.09340	14.3
145.10118	66.9
146.10864	3.8
147.08054	39.9
147.11684	15.2
149.09584	20.0
149.13257	3.6
151.07520	22.7
151.11108	4.3
153.06999	5.0
154.07768	3.2
155.06163	2.8
155.08568	20.0
156.09349	19.6
157.10112	85.3
158.10863	12.3
159.08067	14.9
159.11678	39.8
160.08847	4.4
161.09627	22.4
161.13261	10.6
163.11197	22.5
165.07010	8.2
165.09106	49.1
167.08554	10.2
167.10707	12.4
168.09325	8.8
169.10117	28.3
170.10880	12.0
171.08028	5.2
171.11688	38.6
172.12450	7.5
173.09598	11.5
173.13216	17.0
175.11185	26.0
175.14790	6.4
177.09111	4.6
177.12752	6.3
179.08560	11.2
179.10669	4.0
180.09361	6.2
180.11505	4.4
181.08696	3.2
181.10100	16.9
181.12154	4.2
182.10860	6.9
183.11642	21.1
184.12520	5.5
185.09546	7.8
185.13268	24.8
186.10283	3.3
186.14063	4.7
187.11177	11.0
189.12773	17.5
190.13519	10.2
191.14227	3.4
192.09331	3.5
193.10202	14.4
193.12027	13.8
194.10898	8.6
195.11697	22.5
195.13402	4.9
196.12489	7.6
197.09645	6.6
197.13225	20.9
198.14055	4.6
199.11188	12.9
199.14847	10.4
201.12781	7.3
203.14340	28.2
205.12120	3.2
206.10857	11.2
207.11697	17.7
207.13799	15.0
208.12421	7.7
208.14514	7.2
209.13264	19.6
209.15111	4.7
210.13989	4.8
211.11185	7.5
211.14784	14.6
213.12738	15.0
213.16348	5.0
215.14275	4.4
218.10950	3.5
219.11703	6.0
219.13837	8.2
220.12491	7.1
221.13260	13.9
221.15314	93.1
221.17410	5.6
222.13884	4.8
222.15788	6.2
223.14821	15.6
225.12686	7.3
225.16373	10.6
227.14316	7.7
231.11644	7.1
232.12289	4.0
233.13203	8.9
233.15384	21.0
234.16119	8.7
235.14748	9.6
235.16928	4.3
237.12669	7.5
237.14655	41.9
239.14256	5.7
239.18008	4.6
241.15892	3.7
245.13142	5.5
246.13976	4.6
247.14767	5.3
247.16978	8.5
248.13829	13.1
249.12698	3.6
249.16353	8.6
251.14180	4.3
253.15891	7.0
255.17348	21.8
256.17584	3.2
257.18964	3.3
259.14691	4.0
259.17178	3.4
261.16290	6.5
263.17981	8.0
269.18970	4.6
270.19791	5.1
271.16800	8.2
273.16043	4.1
273.18658	3.9
274.19211	11.3
277.16129	2.9
277.19601	3.3
279.17334	5.9
279.23074	2.8
281.19009	6.6
285.18616	4.4
286.19379	14.0
287.20142	13.2
294.19763	5.8
297.18469	7.6
299.19974	11.4
301.19217	3.1
303.19531	55.0
304.19785	4.0
307.20355	4.7
311.20108	3.1
312.20920	6.4
313.21655	16.5
325.21542	15.3
337.21573	11.8
352.23907	90.2
353.24371	9.5
365.24686	21.6
377.24692	7.7
383.25980	8.4
419.29379	4.5
454.30499	3.2
487.32156	3.4
502.34232	9.4
503.35022	5.4
505.32965	4.4
507.34576	12.5
520.35388	40.3
521.35419	5.4
544.19629	3.6
582.40137	2.9
583.41345	3.6
585.39362	6.1
600.41632	13.1
600.49902	3.2
601.42322	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	600.417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.3
55.01858	4.4
55.05509	21.2
56.63079	2.6
57.07080	17.2
59.04989	6.6
64.23708	2.4
65.03944	5.9
67.05500	34.3
69.03431	19.3
69.07066	16.7
71.04981	4.6
77.03937	2.7
79.05492	44.3
81.03404	3.0
81.07060	41.0
83.04977	18.9
83.08612	12.1
85.06557	8.6
91.05480	61.1
93.07043	76.7
94.07376	5.6
95.04963	22.5
95.08603	44.5
97.06516	13.4
97.10135	3.4
103.05450	4.6
105.07027	100.0
107.04986	3.9
107.08590	60.0
109.06515	28.3
109.10135	18.6
111.08070	5.1
115.05420	5.9
117.07018	27.2
119.04918	3.5
119.08585	78.7
121.06498	12.7
121.10145	51.4
123.08064	30.2
123.11700	6.9
125.05994	12.1
125.09626	8.2
128.06174	14.3
129.07010	23.2
130.07797	6.4
131.08572	42.7
132.09409	2.8
133.06454	7.6
133.10132	51.1
134.10497	2.7
135.08051	28.2
135.11694	18.0
137.06004	5.5
137.09601	18.0
139.07538	6.8
141.06979	12.2
142.07780	30.1
143.08548	52.4
144.09387	13.1
145.06512	3.7
145.08983	4.2
145.10118	78.0
147.08025	38.2
147.11703	13.4
148.11909	2.9
149.09662	17.6
149.13220	3.6
151.07539	23.9
153.06963	4.0
153.09189	3.9
154.07782	3.4
155.08539	25.4
156.09383	20.1
157.10127	74.1
157.86977	2.8
158.10837	10.5
159.08051	21.1
159.11673	36.9
160.08881	4.0
161.09610	21.3
161.13254	11.9
163.11163	19.7
165.07005	6.8
165.09109	43.8
167.08566	9.4
167.10686	13.7
168.09364	5.0
169.10135	28.9
170.10913	9.6
171.08063	5.7
171.11690	38.9
172.12393	6.0
173.09636	13.8
173.13272	21.6
174.10326	2.9
175.11177	29.2
175.14920	4.2
176.11806	4.3
177.12721	4.7
179.08542	12.1
179.10742	3.7
180.09344	6.4
181.10124	15.0
181.12276	13.8
182.10907	11.0
183.11635	23.8
184.12366	4.5
185.09673	4.2
185.13281	21.5
187.11177	12.1
187.14888	9.0
189.12718	14.8
190.13528	8.0
191.10693	3.4
191.14349	5.1
192.09410	4.6
193.10109	13.6
193.12202	9.0
194.10822	8.0
194.13007	2.9
195.11703	28.0
195.13651	4.5
196.12373	4.2
197.09634	3.4
197.13251	23.0
199.11176	9.3
199.14917	5.5
201.12744	8.2
203.14310	28.5
206.10985	3.3
207.11685	17.2
207.13792	16.0
208.12474	8.1
208.14543	8.4
209.09625	4.9
209.13260	21.9
209.15318	11.0
210.14073	5.9
211.11224	8.8
211.14767	14.1
213.12712	10.5
215.14316	5.5
219.11748	5.4
220.12456	6.0
221.13242	14.2
221.15375	68.6
222.13931	5.3
223.11188	3.9
223.14792	14.7
225.12764	8.4
225.16351	7.2
227.14290	5.8
231.11668	4.4
231.13852	4.1
233.13246	9.3
233.15378	18.6
234.14006	3.5
234.16167	11.8
235.14807	12.6
237.12677	4.7
237.14621	30.1
241.15779	4.5
247.14772	6.5
247.16914	8.2
248.13976	5.7
249.16423	5.3
251.14398	7.2
251.18190	5.3
253.15828	5.9
255.17426	16.5
256.17929	4.0
257.13263	4.5
259.14703	5.1
261.16302	3.9
265.15768	3.0
267.17401	5.7
271.16928	8.1
273.16129	4.8
273.18631	4.6
274.19382	7.0
279.17404	6.0
279.23383	3.3
281.18988	7.1
285.18619	4.3
286.19223	10.8
287.20114	7.8
289.19339	3.4
294.19843	6.2
295.17123	3.6
299.20114	12.1
303.19516	32.1
304.19794	3.9
307.20645	3.4
309.18497	3.6
311.19937	6.7
312.20770	5.8
313.21494	10.6
325.21634	28.5
327.98364	2.9
337.21497	9.2
352.23926	49.7
365.24734	34.3
366.25186	3.9
377.24316	3.8
489.33640	4.3
502.34186	4.2
503.34882	5.2
507.34860	26.7
520.35602	19.3
521.35492	4.8
583.41595	3.3
585.38965	3.5
600.42181	18.5
601.41254	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	600.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88365	3.7
53.03950	7.5
54.10458	3.6
54.53160	3.5
55.05510	25.3
57.07071	12.2
67.05503	49.2
69.03427	20.4
69.07075	28.4
71.04982	5.4
71.08659	5.2
76.55223	4.1
79.05489	43.1
81.07053	70.7
83.04982	27.6
83.08620	15.6
85.06538	10.5
89.06046	16.3
91.05473	62.5
93.07040	93.6
93.07587	7.8
95.04942	25.7
95.08607	63.1
95.17945	4.1
97.06524	16.3
97.10127	5.4
98.22551	13.1
99.08108	8.0
103.05450	4.3
105.07033	96.8
106.07327	6.0
107.04978	4.6
107.08587	66.9
109.06488	23.0
109.10149	27.5
109.10777	4.0
111.08042	8.1
115.05497	6.8
117.07016	23.9
119.08578	87.5
121.06506	17.3
121.10145	63.1
123.08071	37.3
123.11692	7.0
125.06016	9.4
125.09618	15.9
128.06219	11.5
129.07005	30.4
130.07840	8.4
131.08554	48.0
132.09384	4.9
133.06490	9.4
133.08598	13.6
133.10118	60.2
135.08047	32.2
135.11705	18.6
137.09616	21.7
139.11243	5.5
141.07008	14.3
142.07770	21.5
143.08559	55.9
144.09358	14.7
145.06468	5.8
145.10110	68.2
146.10884	4.6
147.08038	41.2
147.11674	21.4
149.09625	22.8
151.07545	24.9
151.11140	8.8
153.09122	5.9
154.07759	5.9
155.08578	19.1
156.09395	23.8
156.10527	4.5
157.10136	83.3
157.11377	7.4
158.10847	13.4
159.08063	16.1
159.11664	41.0
161.09625	28.1
161.13239	10.9
162.10405	4.7
163.03882	4.8
163.11169	24.3
165.07024	7.0
165.09099	56.4
167.08594	10.1
167.10631	20.9
168.09297	7.0
169.10123	31.9
170.10915	15.4
171.11667	45.3
172.12460	6.6
173.09647	13.1
173.11990	4.6
173.13210	23.5
175.11182	36.9
175.14806	6.3
177.12769	7.7
179.08604	13.0
179.10527	5.1
180.09267	4.6
180.11398	5.1
181.08665	4.9
181.10048	19.6
181.12219	12.2
182.10895	9.6
183.11661	28.1
184.12376	4.8
185.09621	7.3
185.13223	22.6
187.11241	11.5
187.14795	12.7
188.11934	5.5
189.12740	21.6
190.13515	12.7
191.14217	4.6
193.10158	14.0
193.12297	13.5
194.10931	5.2
195.11650	29.6
196.12447	5.2
197.13246	27.6
198.10359	6.4
199.11150	11.0
199.14720	13.1
200.11896	5.1
201.12782	8.4
203.14275	37.3
205.12308	8.2
206.10799	7.3
207.11711	14.8
207.13812	22.2
208.12563	7.3
208.14700	12.4
209.09599	4.6
209.13327	24.0
209.15144	6.3
211.11159	6.7
211.14836	15.9
212.11966	6.4
213.12779	11.2
213.16405	5.4
215.14293	7.5
218.16531	4.8
219.11668	7.3
219.13718	7.0
220.12613	7.6
221.13234	16.7
221.15321	100.0
222.13872	4.8
222.15788	5.3
223.11240	5.0
223.14781	13.8
224.11893	5.1
225.12762	11.3
225.16304	5.8
227.14439	4.7
229.57449	7.2
231.11639	5.6
231.13817	6.2
233.13374	9.3
233.15440	26.0
234.16168	18.7
235.14874	11.0
237.12697	7.1
237.14651	37.7
239.17906	4.8
240.14949	4.3
245.13359	7.4
246.13951	5.0
247.16939	13.1
248.14058	7.8
249.16493	11.8
253.15913	8.8
255.17453	20.9
259.16992	6.0
263.18015	4.4
265.19235	6.6
269.19080	8.4
270.19824	11.4
271.17053	10.7
273.18634	6.0
274.19171	14.5
279.17560	8.2
279.23138	7.4
281.19141	7.3
282.13751	4.5
285.18463	6.5
286.19305	20.9
287.20102	15.1
294.19797	12.7
299.20093	15.5
300.20734	6.2
303.19534	63.0
309.18500	4.1
310.19238	6.2
312.20831	7.5
313.21524	12.4
325.21588	10.3
337.21680	10.5
352.23953	91.6
353.24387	12.0
365.24728	21.2
381.02032	4.3
383.26190	5.4
487.31833	5.9
502.34335	10.1
503.35156	6.6
504.35699	6.3
505.33157	5.5
507.34561	9.1
520.35443	33.3
521.35388	5.5
528.66919	4.0
600.41315	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	601.1184
Annotation	Kaempferol 3-(6''-galloylgalactoside)
Peak:m/z	Relative Intensity
50.01591	0.3
51.02387	0.6
51.12005	0.4
53.62402	0.2
55.01857	0.3
57.03427	0.2
64.27765	0.2
65.03940	0.2
68.99798	0.8
69.03421	0.7
69.70578	0.3
69.70977	0.6
79.01852	4.0
79.05470	0.2
81.03435	0.9
85.02904	1.1
97.02893	1.8
99.04443	0.4
105.03386	0.5
107.01310	1.2
107.04945	0.2
109.02854	1.2
111.00818	0.5
119.04916	0.2
121.02871	2.8
123.00817	0.2
125.02352	2.9
127.03920	1.4
133.02870	0.4
137.02333	1.1
137.05963	0.3
138.55690	0.2
139.03900	0.2
141.06969	0.2
143.03392	5.7
145.04980	0.2
147.04427	0.7
149.06012	0.2
151.03957	0.3
153.01825	100.0
153.02875	4.9
154.02168	2.5
154.04965	0.2
157.06526	0.4
161.05934	0.3
165.01846	1.6
167.07036	0.4
171.02902	1.1
171.04367	0.4
179.07033	0.2
183.02879	0.8
185.05965	0.4
185.92244	0.2
189.05482	0.3
195.02922	0.6
203.07039	0.2
213.05437	1.4
231.06496	0.4
241.04974	0.9
258.05222	1.0
259.05908	0.6
287.05490	82.8
288.05862	4.5
288.09012	0.4
297.06168	0.7
299.05698	0.3
315.07068	4.8
316.07458	0.3
329.06674	0.5
384.08643	0.2
395.07831	0.2
439.15948	0.3
504.96210	0.2
521.50470	0.2
611.07733	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1184
Annotation	Spicoside D
Peak:m/z	Relative Intensity
53.03946	0.9
55.01873	0.9
57.03431	0.4
65.03927	0.7
65.87136	0.2
68.99792	0.5
69.03429	0.4
69.09012	2.0
70.03739	0.3
71.01352	0.8
73.02905	0.2
79.01839	0.2
81.03415	5.0
81.07024	0.3
85.02892	1.2
85.37485	0.2
91.05500	0.4
93.03421	1.0
95.04987	0.3
97.02898	1.1
98.22594	0.5
99.04447	0.4
105.07042	0.3
107.01322	0.7
107.04931	0.4
109.02859	1.9
111.00785	0.7
111.04430	1.1
114.77181	0.2
121.02879	0.8
123.04449	0.3
127.03895	2.5
129.06940	0.3
131.04829	0.2
131.08569	0.3
135.04399	0.3
137.02341	100.0
137.03410	6.3
138.02666	2.6
144.05559	0.2
145.04945	0.4
145.06461	0.2
147.04358	0.3
151.03926	0.4
153.01825	6.5
153.03052	0.4
155.03389	1.4
159.08070	0.2
161.06007	0.4
163.03888	0.6
164.54829	0.3
165.01851	1.0
167.07060	1.7
168.07396	0.3
171.02852	0.4
173.06017	0.3
177.05371	0.3
177.55392	0.2
179.03366	0.4
179.06960	0.3
183.02835	0.5
183.04330	0.3
187.03931	0.3
187.07520	0.8
188.07841	0.3
191.03297	0.2
201.05411	1.5
204.07904	0.5
207.06487	0.3
213.05469	0.2
219.06506	0.2
219.10118	0.5
220.10707	0.3
229.04933	3.3
231.10040	0.3
239.86362	0.2
247.05981	0.6
257.04413	1.8
274.04773	0.4
281.06598	0.8
285.03836	1.0
286.04428	0.3
287.05487	3.4
299.07608	5.1
300.07892	0.2
303.04965	59.0
304.05304	3.5
345.05969	0.9
601.28210	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.0
53.03941	1.0
55.01870	1.2
56.90187	0.5
57.03430	3.3
59.09396	0.6
60.91690	0.5
61.50077	0.5
67.05491	0.5
68.62975	0.5
69.03426	3.0
69.92779	2.6
77.03920	0.7
79.01823	3.6
79.05490	4.9
81.03418	6.8
85.02911	3.3
91.05457	1.9
93.07053	0.6
95.04966	1.9
97.02884	4.9
103.05457	5.4
105.07025	5.7
107.01302	2.4
107.04948	48.3
107.08572	0.7
108.05284	1.3
109.02882	5.9
115.05437	2.6
116.41798	0.5
117.07008	1.3
120.05716	1.7
121.02840	0.9
121.06506	0.7
123.04404	3.9
124.05207	1.9
125.02322	3.3
125.05986	0.8
127.03906	7.0
131.04887	3.0
131.08606	0.5
133.06483	2.0
134.03549	0.7
135.08038	16.2
137.05933	1.4
143.03395	5.4
145.04973	1.1
145.07594	0.8
146.99380	0.6
147.04369	1.9
149.05940	1.2
150.06708	0.7
151.03876	0.8
152.04684	1.1
153.01817	97.7
154.02159	1.4
154.06218	2.4
159.08041	1.0
161.06042	1.2
163.07529	40.7
164.07840	1.2
165.05453	1.0
165.09100	1.1
167.07025	100.0
168.07399	3.4
169.79509	0.6
171.02870	9.9
180.07762	3.6
181.08559	1.8
183.14047	0.5
187.07697	0.6
192.47917	0.6
193.08554	4.7
195.10159	30.5
196.10486	1.7
207.10115	0.7
211.09651	7.4
212.10170	0.7
213.11201	94.4
214.11513	4.0
219.10027	1.2
227.05460	10.6
230.97998	0.7
239.00227	0.6
240.40794	0.6
249.11102	3.7
250.11465	2.4
279.05057	1.1
287.14856	36.4
288.15097	1.6
297.06070	3.3
315.07077	6.6
377.15964	0.8
432.95023	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	11.0
55.01875	3.3
55.05499	1.4
59.09157	1.0
65.03942	6.2
66.41660	1.1
67.05510	6.4
69.88989	3.6
69.89396	2.1
77.31651	1.2
78.04713	2.1
79.05492	4.1
81.07066	2.6
88.83314	1.2
91.05463	8.5
91.71551	1.4
93.03411	3.8
93.07047	9.1
94.07386	1.3
95.04967	64.7
103.05462	7.8
105.04520	6.1
105.07027	6.4
107.04951	1.5
107.08598	2.2
109.06537	4.1
110.03687	1.5
111.04446	8.3
119.04919	3.1
119.08582	1.3
121.06505	14.6
121.10154	1.8
123.04424	79.4
124.04778	1.6
125.06002	5.2
131.04884	2.4
133.06494	6.2
135.04459	1.5
135.08057	1.4
137.05019	1.3
137.05981	5.5
138.06747	15.5
139.03860	1.8
140.04677	23.7
140.05670	2.2
147.04443	1.6
148.05190	2.0
149.05991	5.4
151.07552	4.0
153.05476	6.4
153.09129	2.7
154.06223	3.3
155.07018	44.4
163.03932	2.9
163.07565	2.0
165.09138	4.2
166.06270	4.4
167.07126	3.1
171.91628	1.5
177.05453	4.3
179.07082	4.8
181.05048	8.3
181.08582	57.1
182.09248	1.5
183.06517	100.0
184.06879	2.1
191.06972	3.0
192.07858	1.7
193.08585	60.7
194.09387	13.1
195.10052	1.6
209.08083	42.7
210.08813	5.4
221.11777	2.2
373.12894	3.5
395.53900	1.6
402.16696	14.5
564.69073	1.3
602.29425	4.1
619.31311	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	601.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	1.4
57.03426	0.5
57.07064	1.5
59.91152	0.5
60.99730	0.5
65.03946	1.0
67.05505	3.3
69.03413	1.3
69.07078	1.4
70.06583	5.2
71.04985	0.6
71.08613	0.8
71.32321	0.6
71.32748	0.7
79.05491	2.5
79.79583	0.6
81.03420	1.1
81.07047	2.3
82.54856	0.5
83.08620	0.7
84.08146	0.7
85.02895	1.0
88.07618	5.5
91.05476	2.2
92.05727	0.6
93.07040	2.5
95.04968	1.5
95.08607	2.5
97.06528	0.8
97.10173	1.1
102.09187	3.7
105.07024	2.3
107.08603	1.5
109.10167	1.4
119.08578	1.8
121.06467	0.9
121.10149	1.8
123.04443	0.7
123.08033	0.7
131.04916	0.6
131.08563	1.2
133.06503	0.7
133.10129	1.6
135.11694	1.4
137.06006	1.1
143.07121	0.6
145.10165	0.7
147.04414	1.1
149.02335	12.5
149.03387	0.6
149.09610	0.7
149.13307	0.7
151.03880	1.0
151.07417	0.6
153.01797	0.7
153.07086	0.5
153.31177	0.5
159.11723	1.0
163.11130	0.6
167.07057	0.9
173.13214	0.6
175.04054	0.8
177.05554	0.6
193.04965	14.5
200.20093	15.8
200.21877	1.1
203.17963	0.8
219.06377	1.0
237.07552	3.5
244.22749	0.8
245.08092	1.9
257.08090	1.2
261.07660	0.8
270.08981	0.6
271.09698	0.9
275.09229	1.4
285.11102	0.7
287.12991	0.8
297.04068	1.0
297.11133	1.0
299.09250	0.7
309.11316	0.9
311.09073	1.7
311.12680	1.9
313.10699	1.0
323.09378	0.8
323.12750	0.7
324.09897	0.7
327.12332	1.6
335.12631	0.9
337.10675	1.3
337.14398	0.9
339.12207	2.8
341.06586	3.1
341.13840	0.8
343.08392	0.8
351.12256	1.6
351.15955	0.8
353.10077	1.0
359.07657	2.1
366.10907	1.4
367.11823	2.1
367.15790	0.7
379.11484	0.8
379.15701	0.9
380.12561	1.3
381.13467	1.8
385.09094	5.5
393.12820	0.7
395.10928	1.1
396.15387	0.8
397.16553	1.1
405.13235	1.1
423.14285	2.0
429.11612	7.2
431.18918	3.2
451.21198	0.8
457.20651	3.8
481.22299	1.2
487.15747	5.6
497.18011	0.9
500.16510	1.8
501.17761	2.8
515.19025	4.6
525.17505	3.8
530.21454	1.3
543.18579	28.6
544.18884	3.2
557.20587	1.3
558.20734	1.9
573.26984	2.0
601.26306	100.0
602.29138	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03901	0.4
53.04718	0.3
55.01824	0.5
55.05459	0.6
57.03387	0.9
65.03871	0.4
67.05429	1.0
69.03370	0.5
69.07008	0.6
70.06530	0.4
70.32432	0.3
71.31396	0.4
71.31843	0.4
73.74759	0.4
79.05430	0.8
81.03342	1.0
81.07054	1.6
85.02890	1.7
91.05381	1.0
93.06956	1.4
95.04893	0.6
95.08512	1.2
97.02887	0.3
97.06477	0.5
101.16025	0.3
102.09128	0.4
103.03862	0.3
105.06927	1.1
107.04874	0.4
107.08491	1.0
109.02785	0.8
109.06489	0.4
109.10080	0.5
117.06960	0.4
119.08489	1.1
121.10103	2.0
123.08038	0.4
129.06888	0.3
131.08519	0.9
133.06459	0.5
133.10065	0.6
135.08017	0.6
135.11626	0.7
137.05928	0.6
137.09517	0.4
144.68913	0.3
145.10040	0.6
149.02298	0.6
149.09509	1.2
151.03815	0.6
159.11618	0.3
159.49776	0.4
163.03802	0.3
165.66556	0.3
173.13191	0.5
175.07602	0.3
193.04843	1.0
200.20016	1.1
213.08852	0.3
217.08470	0.3
231.10095	0.4
232.07292	2.0
233.08167	2.8
234.08742	0.4
244.07277	0.7
245.08054	2.9
257.08029	1.3
258.08691	0.9
267.10165	0.5
271.09525	1.2
272.10309	0.8
273.11221	0.6
275.08749	0.4
279.09811	0.4
285.07803	0.5
287.12643	0.6
295.09625	4.1
296.10361	0.7
297.07751	0.4
297.11072	2.2
298.11765	0.6
299.09076	1.3
307.09552	0.6
308.10345	0.5
309.07874	0.4
309.11121	1.6
309.14426	0.5
310.11929	3.6
311.09192	0.8
311.12674	2.0
312.13611	0.4
317.13815	0.8
322.11914	0.5
323.09161	1.7
323.12787	1.5
324.09958	0.6
325.10666	9.7
325.14474	0.6
326.11041	0.7
327.11975	0.5
331.09918	0.5
332.14142	0.5
334.11624	0.5
335.08936	0.6
335.12616	1.0
336.09598	0.4
336.13287	0.8
337.10580	2.6
337.14294	3.9
338.11237	1.0
339.12354	3.1
339.16116	0.6
341.13824	0.6
345.10910	0.6
347.12610	0.7
348.13647	0.7
349.10516	0.8
349.14386	1.0
350.11270	1.0
350.15128	0.4
351.12192	1.3
352.12878	0.5
352.16669	1.5
353.10156	3.5
353.13797	0.8
353.17426	0.9
353.64996	0.4
359.12961	0.4
360.13556	1.0
361.14432	0.6
362.11346	0.5
363.12134	1.4
363.15942	0.8
365.09872	2.4
365.13980	4.5
366.14340	0.6
367.11591	0.8
367.15439	1.4
369.13239	1.1
375.12302	0.6
376.12729	2.3
377.13708	2.9
378.14566	0.9
379.15491	0.9
380.11536	1.6
380.16492	4.0
381.12381	1.8
381.17291	3.7
385.09021	0.6
388.12735	0.4
390.14597	0.7
391.15552	1.8
393.13269	38.9
394.13687	3.3
395.14896	8.4
396.15207	1.0
397.16278	1.8
400.13177	0.6
401.13812	0.6
403.11548	0.6
404.12302	0.9
405.13028	6.4
406.13348	0.7
406.18045	0.5
407.14844	1.6
408.15680	19.5
409.16309	2.7
415.15350	1.4
417.13318	1.1
418.13968	0.6
419.14871	22.0
420.15308	2.4
421.16357	2.6
423.14316	38.8
424.14648	3.2
428.12662	0.9
430.17548	1.1
431.14505	1.2
431.19614	2.9
433.16534	10.0
434.17221	2.4
438.16599	2.2
439.21960	3.6
440.14124	0.4
443.14883	2.6
444.15845	0.4
447.14328	12.1
448.14578	1.0
451.21115	100.0
452.21399	10.3
458.17136	1.0
459.14142	5.1
461.16098	2.2
462.16672	1.1
463.21201	3.4
464.21539	0.7
465.22623	0.7
471.14362	9.2
472.14746	1.3
474.16528	1.2
477.16608	0.3
477.22699	8.4
478.22919	1.1
479.20316	0.7
481.22177	75.0
482.22528	7.8
486.16803	2.7
487.17209	0.7
489.15433	5.1
491.24261	8.5
492.24734	1.0
501.22565	0.8
505.22153	58.3
506.22534	7.3
517.22217	8.4
517.28418	0.3
518.22516	1.0
519.23822	1.5
529.22192	11.0
530.22699	1.0
535.23224	41.7
536.23700	4.3
547.23230	28.3
548.23413	3.2
565.24237	31.8
566.24457	3.9
583.25342	16.4
583.34814	0.6
584.25800	1.9
600.37671	0.4
601.26404	2.1
602.29022	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63499	0.3
67.87394	0.3
68.27175	0.3
69.16489	0.3
71.08372	0.3
71.18495	0.3
71.31630	0.5
79.41157	0.3
81.03435	0.5
81.67799	0.3
91.05482	0.7
93.07042	0.5
95.05003	0.3
97.02802	0.4
97.06560	0.6
98.97597	0.4
104.70171	0.4
105.07073	0.4
106.07265	0.3
107.04990	0.4
109.02892	0.6
109.10216	0.5
113.02194	0.4
121.02937	0.5
121.10118	0.4
123.04397	0.5
127.03810	0.4
135.04413	0.4
137.02344	1.6
137.03387	0.3
137.05942	0.6
147.04446	1.0
148.04781	0.4
151.03888	0.5
153.01814	1.8
165.08980	0.3
167.07080	0.9
169.04799	0.6
173.05745	0.3
177.05521	0.4
177.11055	0.3
181.04999	0.6
201.03905	0.4
203.05251	4.4
219.01964	0.5
237.02882	0.6
243.17282	0.6
259.16763	0.7
261.18262	1.7
287.05673	0.6
303.05194	0.9
308.05716	0.7
369.18979	0.6
405.08875	0.3
421.21970	7.3
422.22153	0.3
423.23520	32.0
424.23743	2.5
439.23108	2.9
449.14572	0.3
496.21802	0.4
533.56934	0.4
541.19293	2.0
543.92200	0.4
601.28271	100.0
602.28644	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	5.4
55.01875	3.3
55.05513	15.6
57.07079	16.2
59.05010	4.6
67.05506	38.5
69.03429	7.9
69.07075	21.3
69.25266	20.4
71.05018	7.1
79.05509	23.4
80.05840	4.4
81.03432	3.1
81.07061	51.8
81.34972	3.2
82.79230	3.4
83.05000	7.3
83.08613	15.3
85.06532	4.0
87.04450	4.4
89.06060	8.6
91.05489	41.8
93.07056	81.7
94.07370	6.6
95.04971	16.4
95.08612	42.3
96.08939	4.4
97.06551	6.6
97.10172	4.0
99.08155	3.1
105.07035	53.3
106.07352	5.0
107.04970	4.6
107.08602	83.7
108.08923	4.5
109.06531	9.6
109.10164	35.1
111.08091	4.9
113.06022	6.9
113.09609	2.7
117.07056	10.0
117.88637	2.8
119.08610	34.8
121.06524	19.1
121.10139	30.4
123.04458	4.5
123.08097	15.7
123.11717	30.6
124.12048	3.2
125.09649	5.6
127.11249	5.1
128.06207	4.1
129.06975	5.3
130.07834	3.4
131.08591	16.4
133.06528	4.1
133.10144	52.0
134.10532	6.0
135.04572	3.2
135.08061	19.7
135.11720	11.6
137.05954	3.2
137.09648	11.0
139.03922	21.9
139.11249	6.5
141.06950	3.5
142.07750	6.1
143.08574	12.5
144.09406	3.4
145.06544	3.2
145.10127	23.9
147.08044	19.8
147.11688	10.0
149.06003	7.5
149.09651	8.7
149.13318	3.9
151.07579	5.7
151.11201	38.2
153.05489	4.0
155.08563	3.5
156.09357	5.1
157.10172	14.3
158.10739	3.4
159.08090	5.7
159.11728	10.8
160.08810	6.7
161.05974	3.6
161.09645	4.6
161.13313	6.5
163.03842	4.4
163.07568	23.8
163.11195	6.7
163.14874	3.0
165.09132	20.6
166.09360	2.9
167.10719	6.4
169.10208	7.1
169.12251	7.9
169.84769	2.7
170.10925	3.7
171.11671	9.0
173.06065	5.4
173.09618	5.7
173.13295	6.8
175.07593	6.4
175.11176	6.9
175.14963	3.1
177.05515	11.1
177.09134	3.6
179.07047	7.9
179.08476	3.0
180.09338	2.8
181.10115	3.3
181.12238	6.7
183.11691	5.3
185.13203	5.8
187.11292	3.2
187.14839	3.3
191.07037	71.7
193.08696	2.9
195.11725	5.6
197.08098	11.0
197.13220	5.9
201.12976	3.0
203.06976	4.7
203.14333	11.9
206.67738	3.1
207.06569	10.3
207.11797	5.0
207.13785	5.0
209.08098	59.5
209.13315	4.1
209.15221	5.3
211.09554	4.6
215.07036	9.2
217.08664	4.8
219.10156	3.6
221.08031	4.0
221.13246	6.3
221.15352	61.5
222.15784	5.1
223.09656	9.6
225.07591	4.3
229.08667	5.9
233.08157	8.7
237.14914	11.4
247.09656	18.4
251.24529	2.6
253.15598	3.4
255.10072	3.4
259.13290	56.2
261.21924	2.7
269.11801	6.2
271.13321	6.4
271.16739	3.0
277.14441	6.5
279.23309	5.3
287.19971	6.1
289.14221	5.9
297.24237	4.2
311.16449	11.0
329.17484	82.3
330.17661	4.9
347.18570	100.0
348.18793	6.9
353.24301	6.8
357.17105	5.2
409.20221	3.5
427.21188	9.9
477.26300	6.9
491.35126	6.6
495.27689	17.8
521.35638	9.7
547.30334	23.4
565.31525	17.2
601.41974	15.9
601.51813	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	601.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37801	0.6
53.03945	1.8
55.05512	4.5
56.25433	0.6
57.07068	1.6
61.98852	0.6
65.03925	0.7
67.05502	11.9
69.07062	7.3
78.07484	0.6
79.05490	8.9
81.07054	17.2
81.07487	0.6
83.04974	0.9
83.08602	3.9
85.06541	0.8
89.03913	10.4
91.05471	5.0
93.07034	10.8
95.04953	1.8
95.08602	18.0
97.06511	1.5
97.10165	2.0
98.22434	1.4
99.08076	1.4
105.07034	9.0
107.04942	2.8
107.08597	10.9
109.06532	1.2
109.10151	20.0
111.08046	1.3
111.11706	0.9
112.47613	0.7
114.56647	0.7
115.05428	0.7
117.03377	12.4
117.07011	1.8
119.08580	11.2
120.08915	0.8
121.10135	12.0
123.08024	2.2
123.11703	5.5
125.09595	1.7
129.07005	0.8
131.08565	6.3
133.10117	9.4
135.04414	21.6
135.11691	5.2
136.04736	0.9
137.09631	1.4
137.13286	1.7
139.11180	0.9
142.07790	1.7
143.08517	4.1
145.02844	17.0
145.10123	7.2
147.04364	1.3
147.08064	1.1
147.11682	5.3
149.09590	1.1
149.13251	3.2
155.08525	1.5
157.10152	4.4
159.08002	0.7
159.11691	7.2
161.09576	1.0
161.13268	5.1
163.03897	100.0
163.11198	0.9
163.14835	2.4
164.04228	2.6
167.10670	1.2
169.10153	2.4
171.11690	3.7
173.13251	4.9
175.11159	1.3
175.14825	3.1
177.05394	1.3
177.12679	1.3
177.16342	1.4
181.04938	2.4
183.11652	2.4
185.13219	3.3
187.14809	2.7
189.16356	3.4
195.11687	1.5
197.13219	1.9
199.14825	1.7
201.12880	0.9
201.16383	2.1
202.10971	0.7
203.14334	1.1
203.17957	1.1
211.14893	1.8
213.16396	2.2
215.17903	1.6
217.15958	0.9
217.19429	1.0
223.14619	0.9
225.16515	1.9
227.18004	2.4
229.15814	1.0
229.19536	1.0
229.22696	0.7
231.17470	1.1
245.18997	4.6
253.19435	1.0
255.17621	0.9
255.21056	1.0
257.19003	1.7
265.19537	0.9
266.67435	0.8
267.20837	1.2
269.22662	1.2
271.20645	1.8
283.20602	1.2
285.22067	1.7
293.22873	0.8
295.24017	1.3
297.22260	1.3
299.23511	1.0
311.23535	3.4
313.25253	4.8
339.26846	1.6
341.28384	2.2
351.26529	0.8
365.28119	1.6
421.34689	6.6
471.47260	0.8
601.37720	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89717	1.3
53.03934	3.6
55.05499	15.7
57.07073	6.0
61.28063	1.2
65.03938	5.6
67.05501	38.2
69.07063	22.7
70.48124	1.4
70.48463	4.1
71.08605	1.8
77.03925	2.3
79.05486	25.9
81.07055	66.2
82.07394	2.1
83.08623	14.5
85.06544	1.4
91.05470	39.4
93.07041	58.0
95.04968	3.6
95.08598	100.0
96.08958	1.7
97.10155	4.6
99.08113	2.3
103.05447	3.1
105.07024	46.5
107.04952	20.2
107.08584	78.6
109.10147	96.4
110.10510	2.9
111.08086	2.4
115.05459	3.1
117.06994	7.9
119.04932	31.4
119.08567	50.1
121.10136	60.2
122.10448	1.3
123.08062	1.7
123.11695	16.8
125.09638	1.6
128.06187	2.0
129.06987	3.2
131.08563	23.9
131.09474	2.7
133.10120	42.9
135.08041	6.4
135.11684	44.5
136.11995	1.6
137.13240	13.5
142.07750	1.6
143.08559	7.5
145.02844	1.5
145.10110	23.8
147.04396	95.6
147.11671	28.5
149.13258	26.2
151.14844	2.2
153.09018	1.5
155.08524	1.8
156.09346	2.9
157.10120	9.8
159.11702	19.8
161.04300	1.4
161.13232	17.6
163.03926	9.1
163.07513	7.5
163.14850	5.6
165.05544	2.9
167.07040	8.1
169.10143	3.2
171.11671	15.9
173.13211	14.9
174.13861	1.6
175.14825	25.6
177.16365	43.8
178.16740	1.7
180.07774	1.8
181.10112	2.4
183.11716	4.2
185.13264	12.8
187.14815	28.7
187.16502	1.7
189.16370	18.3
191.10757	2.2
191.17950	7.6
195.10146	38.8
196.10426	2.2
197.13321	4.8
199.14832	10.6
201.16348	23.2
202.16711	1.4
203.17914	41.6
204.18280	2.8
205.12228	3.5
205.19539	2.9
211.14832	3.0
213.16331	16.1
215.17912	13.1
217.19534	5.8
219.13774	2.2
223.14627	1.6
225.16399	3.0
227.17909	3.0
229.19438	2.9
233.15376	2.9
239.17946	5.3
241.19582	14.3
243.13911	1.6
243.20992	1.8
253.19572	4.0
255.21092	3.3
259.16876	9.3
267.21140	4.0
269.22684	2.6
271.16803	2.4
273.18585	1.6
275.20221	1.5
281.22659	7.8
283.24063	2.5
285.18411	3.2
287.20020	4.9
297.25772	3.2
299.20038	1.8
301.21713	2.3
313.21741	2.7
327.23132	4.4
329.24582	2.1
341.24939	2.4
343.26218	1.8
355.26144	2.4
391.33524	13.0
392.34113	1.5
403.33719	1.8
437.34201	20.4
438.34116	1.9
479.77100	1.4
555.38135	1.7
601.39197	3.0
611.56152	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.425
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02401	2.3
52.79418	2.0
53.03938	7.8
55.01629	2.2
55.01870	7.0
55.05255	2.7
55.05508	30.1
57.07074	14.2
59.05002	5.1
65.03933	5.8
66.04742	1.9
67.05159	3.6
67.05501	46.9
68.05807	2.0
69.03426	20.4
69.07061	25.6
71.04987	6.1
71.31443	3.9
78.28461	2.2
79.05492	46.0
80.05833	5.2
81.03416	3.0
81.07058	61.3
82.07401	2.5
83.04980	21.0
83.08604	14.9
85.06534	7.0
91.05473	78.9
92.05817	7.2
93.07044	94.2
94.07375	6.6
95.04961	23.2
95.08022	3.8
95.08601	51.1
96.08920	2.7
97.06538	15.8
97.10197	4.6
103.05469	4.7
104.06245	2.2
105.04524	4.8
105.07028	100.0
105.07747	4.9
106.07374	8.4
107.04963	6.6
107.08588	67.2
108.08924	5.3
109.06509	18.5
109.10146	26.8
110.31723	2.0
111.08102	5.2
111.11667	2.3
113.06038	3.8
113.09661	4.8
115.05447	7.6
117.07003	25.8
119.04884	3.1
119.08580	81.3
120.08904	8.8
121.06517	16.7
121.10139	63.2
122.10459	5.1
123.08068	23.3
123.11697	7.6
124.05274	2.1
124.08394	4.3
125.05970	4.2
125.09628	13.3
128.06198	13.6
129.07013	24.1
130.07719	9.4
131.08566	43.0
132.08899	1.8
133.06474	6.2
133.10121	49.5
133.28960	2.1
134.10466	5.6
135.08049	19.7
135.11685	25.0
136.08376	3.3
136.11960	2.2
137.06018	3.1
137.09596	18.4
139.11182	7.5
141.06995	8.3
142.07782	24.4
143.03362	2.4
143.08568	40.0
144.09241	9.2
145.10118	56.8
146.10474	8.4
147.08020	22.7
147.11682	20.7
149.09605	19.3
149.13242	4.5
151.07521	13.0
151.11128	5.9
153.06924	3.5
153.09096	3.9
154.07689	3.1
155.08577	14.4
155.10590	2.1
156.09352	19.1
157.10114	51.8
158.10596	11.0
159.08040	13.6
159.11694	34.7
160.08603	2.3
160.12158	4.7
161.09615	16.3
161.13252	7.8
162.09959	2.9
163.07480	2.4
163.11134	13.2
163.14810	2.2
164.11494	2.8
165.06952	4.8
165.09105	30.6
166.09460	4.2
167.07187	2.6
167.08565	8.0
167.10684	24.1
168.09232	6.6
169.10089	22.1
170.10825	12.1
171.11667	31.5
172.12152	8.3
173.09573	5.6
173.13235	16.0
174.13582	2.2
175.07550	3.0
175.11177	12.6
175.14844	6.3
176.11644	2.5
177.05432	2.2
177.09094	2.9
177.12747	4.0
179.08543	10.4
180.09152	6.9
181.08731	2.0
181.10136	12.8
181.12198	6.9
182.10941	10.5
183.10265	3.2
183.11682	22.4
184.12364	10.1
185.09546	5.9
185.13223	14.8
187.11171	6.1
187.14771	6.2
189.12717	10.0
190.13336	3.6
191.06993	4.8
191.10664	3.0
191.14218	6.1
192.09331	5.5
193.08501	2.9
193.10127	9.6
193.12175	5.9
194.10834	7.8
195.11681	19.3
196.12222	9.0
197.09634	2.8
197.13280	15.3
198.13654	3.7
199.11151	6.2
199.14796	10.3
200.11681	2.2
201.12724	5.9
203.14273	15.5
204.14661	3.3
205.10271	2.7
205.15932	2.9
206.10844	5.9
207.11632	11.0
207.13765	5.8
208.12389	8.6
208.14462	2.8
209.13213	18.1
209.15256	5.4
210.13838	6.3
211.11241	3.0
211.14813	9.5
212.15349	2.3
213.12720	6.2
213.16490	2.4
215.14363	3.5
217.15788	3.7
219.11703	4.6
219.13837	3.4
220.12346	5.1
221.13243	9.6
221.15306	47.1
222.13823	3.2
222.15739	11.2
223.14822	6.4
224.15370	3.6
225.12685	3.1
225.16269	4.8
226.16731	2.8
227.14256	5.9
231.11691	2.4
233.13197	6.2
233.15373	13.2
234.13811	4.8
234.15907	5.6
235.14743	5.9
236.15384	3.7
237.14845	6.7
237.16791	2.8
241.15921	2.4
247.14679	5.2
247.16928	5.4
249.16501	3.3
255.17378	5.6
256.17792	3.6
261.16455	3.3
263.17978	2.2
265.19437	3.7
269.18958	2.8
273.18631	4.4
275.20163	11.5
281.19022	2.8
285.18481	4.0
286.19290	3.4
287.19952	4.5
291.19553	6.0
293.21118	2.6
295.20416	3.2
295.84134	2.6
298.89655	2.1
299.20139	3.6
301.21710	4.9
303.19531	7.6
304.19922	7.2
311.20346	2.6
313.21646	3.8
314.21902	3.2
317.22729	2.4
329.17404	4.1
338.22461	2.4
347.18671	3.3
352.23959	10.1
353.24402	16.5
366.24982	5.6
367.26144	3.1
379.25662	2.3
449.21469	4.1
495.27408	11.2
513.28296	6.6
521.36188	9.6
565.32031	2.8
583.32654	6.8
583.41266	6.4
601.43024	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	601.425
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02401	2.3
52.79418	2.0
53.03938	7.8
55.01629	2.2
55.01870	7.0
55.05255	2.7
55.05508	30.1
57.07074	14.2
59.05002	5.1
65.03933	5.8
66.04742	1.9
67.05159	3.6
67.05501	46.9
68.05807	2.0
69.03426	20.4
69.07061	25.6
71.04987	6.1
71.31443	3.9
78.28461	2.2
79.05492	46.0
80.05833	5.2
81.03416	3.0
81.07058	61.3
82.07401	2.5
83.04980	21.0
83.08604	14.9
85.06534	7.0
91.05473	78.9
92.05817	7.2
93.07044	94.2
94.07375	6.6
95.04961	23.2
95.08022	3.8
95.08601	51.1
96.08920	2.7
97.06538	15.8
97.10197	4.6
103.05469	4.7
104.06245	2.2
105.04524	4.8
105.07028	100.0
105.07747	4.9
106.07374	8.4
107.04963	6.6
107.08588	67.2
108.08924	5.3
109.06509	18.5
109.10146	26.8
110.31723	2.0
111.08102	5.2
111.11667	2.3
113.06038	3.8
113.09661	4.8
115.05447	7.6
117.07003	25.8
119.04884	3.1
119.08580	81.3
120.08904	8.8
121.06517	16.7
121.10139	63.2
122.10459	5.1
123.08068	23.3
123.11697	7.6
124.05274	2.1
124.08394	4.3
125.05970	4.2
125.09628	13.3
128.06198	13.6
129.07013	24.1
130.07719	9.4
131.08566	43.0
132.08899	1.8
133.06474	6.2
133.10121	49.5
133.28960	2.1
134.10466	5.6
135.08049	19.7
135.11685	25.0
136.08376	3.3
136.11960	2.2
137.06018	3.1
137.09596	18.4
139.11182	7.5
141.06995	8.3
142.07782	24.4
143.03362	2.4
143.08568	40.0
144.09241	9.2
145.10118	56.8
146.10474	8.4
147.08020	22.7
147.11682	20.7
149.09605	19.3
149.13242	4.5
151.07521	13.0
151.11128	5.9
153.06924	3.5
153.09096	3.9
154.07689	3.1
155.08577	14.4
155.10590	2.1
156.09352	19.1
157.10114	51.8
158.10596	11.0
159.08040	13.6
159.11694	34.7
160.08603	2.3
160.12158	4.7
161.09615	16.3
161.13252	7.8
162.09959	2.9
163.07480	2.4
163.11134	13.2
163.14810	2.2
164.11494	2.8
165.06952	4.8
165.09105	30.6
166.09460	4.2
167.07187	2.6
167.08565	8.0
167.10684	24.1
168.09232	6.6
169.10089	22.1
170.10825	12.1
171.11667	31.5
172.12152	8.3
173.09573	5.6
173.13235	16.0
174.13582	2.2
175.07550	3.0
175.11177	12.6
175.14844	6.3
176.11644	2.5
177.05432	2.2
177.09094	2.9
177.12747	4.0
179.08543	10.4
180.09152	6.9
181.08731	2.0
181.10136	12.8
181.12198	6.9
182.10941	10.5
183.10265	3.2
183.11682	22.4
184.12364	10.1
185.09546	5.9
185.13223	14.8
187.11171	6.1
187.14771	6.2
189.12717	10.0
190.13336	3.6
191.06993	4.8
191.10664	3.0
191.14218	6.1
192.09331	5.5
193.08501	2.9
193.10127	9.6
193.12175	5.9
194.10834	7.8
195.11681	19.3
196.12222	9.0
197.09634	2.8
197.13280	15.3
198.13654	3.7
199.11151	6.2
199.14796	10.3
200.11681	2.2
201.12724	5.9
203.14273	15.5
204.14661	3.3
205.10271	2.7
205.15932	2.9
206.10844	5.9
207.11632	11.0
207.13765	5.8
208.12389	8.6
208.14462	2.8
209.13213	18.1
209.15256	5.4
210.13838	6.3
211.11241	3.0
211.14813	9.5
212.15349	2.3
213.12720	6.2
213.16490	2.4
215.14363	3.5
217.15788	3.7
219.11703	4.6
219.13837	3.4
220.12346	5.1
221.13243	9.6
221.15306	47.1
222.13823	3.2
222.15739	11.2
223.14822	6.4
224.15370	3.6
225.12685	3.1
225.16269	4.8
226.16731	2.8
227.14256	5.9
231.11691	2.4
233.13197	6.2
233.15373	13.2
234.13811	4.8
234.15907	5.6
235.14743	5.9
236.15384	3.7
237.14845	6.7
237.16791	2.8
241.15921	2.4
247.14679	5.2
247.16928	5.4
249.16501	3.3
255.17378	5.6
256.17792	3.6
261.16455	3.3
263.17978	2.2
265.19437	3.7
269.18958	2.8
273.18631	4.4
275.20163	11.5
281.19022	2.8
285.18481	4.0
286.19290	3.4
287.19952	4.5
291.19553	6.0
293.21118	2.6
295.20416	3.2
295.84134	2.6
298.89655	2.1
299.20139	3.6
301.21710	4.9
303.19531	7.6
304.19922	7.2
311.20346	2.6
313.21646	3.8
314.21902	3.2
317.22729	2.4
329.17404	4.1
338.22461	2.4
347.18671	3.3
352.23959	10.1
353.24402	16.5
366.24982	5.6
367.26144	3.1
379.25662	2.3
449.21469	4.1
495.27408	11.2
513.28296	6.6
521.36188	9.6
565.32031	2.8
583.32654	6.8
583.41266	6.4
601.43024	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	601.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04570	3.9
53.03946	4.2
55.05494	14.5
57.07069	13.4
67.05512	21.8
69.03434	6.3
69.07061	16.9
69.67213	17.6
79.05483	21.8
81.07039	37.2
83.04951	6.2
83.08609	7.6
85.40273	3.9
89.06019	6.8
91.05479	28.0
93.07043	47.4
95.04969	6.8
95.08588	26.5
105.07033	44.3
107.08579	29.4
109.06514	12.3
109.10149	15.7
117.07001	9.5
119.08582	49.3
120.50778	4.2
121.06514	5.5
121.10135	25.1
123.08061	18.6
123.11678	4.6
123.21273	4.4
128.06259	3.9
129.06985	10.8
131.08551	16.7
133.10150	24.2
135.08058	11.1
135.11681	8.8
137.09599	14.8
142.07759	9.0
143.08586	21.8
145.10121	36.8
147.08005	32.0
147.11765	6.5
149.82903	4.0
151.07556	15.9
155.08516	7.0
156.09343	7.6
157.10144	25.5
158.10699	5.0
159.08009	4.9
159.11687	18.5
161.09596	9.0
161.13193	7.4
162.09955	4.2
163.11212	9.9
165.09114	47.3
169.10077	15.5
171.11684	14.2
173.13235	7.5
175.11206	5.0
179.36287	4.0
181.10104	5.5
181.12285	8.8
182.10977	5.3
183.11655	10.1
187.14806	8.0
189.12776	6.7
195.11638	6.1
197.13187	5.5
198.13786	4.1
203.14314	15.6
207.13757	8.0
209.13269	8.8
211.14754	5.2
221.13228	7.9
221.15347	100.0
222.15558	8.1
225.16519	5.6
247.16936	7.6
287.20090	4.2
301.21494	8.2
352.24017	5.7
353.24356	4.9
367.26535	4.3
421.30908	4.3
437.35919	4.1
441.29672	9.3
491.35352	8.9
509.36139	4.9
525.80573	5.6
583.41229	12.8
601.42474	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	601.4242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89274	2.8
53.03943	7.5
55.01862	4.0
55.05510	29.9
57.07079	15.9
57.56110	2.5
59.04984	2.3
59.10878	2.3
65.03945	6.7
67.05507	44.8
68.05818	2.4
69.03442	13.3
69.07070	38.5
71.04990	6.6
71.08627	3.5
79.05493	45.6
81.03385	3.5
81.07056	61.3
81.25607	2.3
82.07385	4.6
83.04982	18.8
83.08614	18.9
85.06541	4.0
87.04449	4.2
89.06017	6.1
91.05474	66.0
92.05794	2.9
93.07046	84.8
94.07364	4.8
95.04969	24.8
95.08610	54.5
96.08954	6.1
97.06549	12.5
97.10166	7.8
99.08083	2.8
103.05472	6.5
105.07034	100.0
105.07740	5.4
106.07311	5.3
107.04955	3.7
107.08592	81.2
108.08924	5.9
109.06526	20.2
109.10158	38.3
110.10521	2.8
111.08096	6.2
111.11723	5.0
113.06003	4.1
113.09639	4.5
115.05441	7.1
116.06274	2.8
117.03387	10.9
117.06997	21.9
119.04889	2.6
119.08579	84.7
120.08917	5.3
121.06543	14.6
121.10139	82.8
122.10485	5.9
123.08069	19.2
123.11694	9.7
125.06008	2.9
125.09656	14.1
128.06197	13.4
129.07048	17.6
130.07869	5.9
131.08568	41.4
132.08972	4.1
133.06461	6.8
133.08583	5.2
133.10136	58.4
134.10478	5.2
135.08057	13.2
135.11674	22.9
137.09618	13.7
139.11180	7.9
141.07019	12.8
142.07779	27.4
143.08575	36.4
144.09152	7.8
145.02849	15.5
145.06432	3.5
145.10117	61.6
146.10497	8.2
147.04398	3.0
147.08061	13.3
147.11714	31.0
149.09612	18.0
149.13264	8.6
151.07498	4.6
151.11256	6.1
152.06154	3.4
153.06926	3.7
154.07674	3.3
155.08542	20.9
155.10611	4.8
156.09355	19.9
157.10120	51.3
158.10750	8.5
159.08060	16.3
159.11699	36.1
160.11992	4.4
161.09637	12.9
161.13200	12.0
163.11162	4.9
163.14804	10.3
165.06999	4.8
165.09097	8.5
166.07799	3.5
167.08537	10.0
167.10654	36.5
168.09312	7.2
169.10100	26.3
170.10814	8.7
171.11690	29.6
172.12059	7.8
173.09561	7.9
173.13217	18.4
174.09924	3.6
175.11195	9.4
175.14828	10.3
176.11569	2.4
177.05428	26.7
177.09059	2.6
179.08545	11.5
180.09279	8.2
181.10085	18.6
181.12296	5.6
181.91039	2.5
182.10875	11.7
183.11702	23.1
184.12276	6.0
185.09486	4.4
185.13222	20.4
186.13631	4.3
187.11185	4.3
187.14813	15.0
189.12732	6.5
189.16440	4.3
191.14285	5.6
192.09288	5.5
193.08568	3.6
193.10136	13.3
194.10786	9.4
195.06554	5.6
195.11676	21.0
196.12305	13.3
197.09634	3.2
197.13219	20.2
198.13664	5.5
199.11095	6.1
199.14815	12.8
201.12689	4.2
201.16451	3.9
203.14349	4.3
206.10811	5.8
207.11662	11.3
207.13557	3.4
208.12271	7.7
209.13257	17.8
210.13824	8.3
211.11314	5.8
211.14787	14.5
213.12883	2.9
213.16417	5.8
215.14331	5.2
217.15874	4.5
218.10832	3.5
219.11699	5.4
220.12257	4.5
221.13246	11.0
221.15387	20.0
222.13875	6.1
223.14977	12.2
224.15210	3.3
225.12886	3.3
225.16446	6.4
227.17892	3.6
231.11679	3.7
233.13321	5.5
233.15324	22.4
234.15820	5.3
235.14749	8.0
237.16475	6.6
238.16986	3.3
239.17854	3.7
240.14735	3.5
241.15810	2.9
245.13094	5.2
247.14774	6.2
248.15332	4.0
249.16348	4.2
251.17827	3.6
253.19620	3.1
255.17403	5.3
255.21393	2.9
259.14819	3.9
261.16489	4.0
263.17853	5.4
265.19467	5.0
265.25403	3.4
266.25723	3.3
269.18954	5.7
277.19290	4.1
282.19662	3.5
283.20334	5.3
287.20126	3.0
290.20074	3.8
295.20300	4.6
299.20255	4.1
334.59378	2.6
363.30481	2.8
389.32233	7.2
407.32938	7.2
583.41333	6.3
584.41931	3.4
600.44312	3.2
601.30914	5.5
601.41113	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	601.426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	8.8
55.01867	6.7
55.05510	35.4
56.62677	2.4
57.03455	3.2
57.07076	20.8
59.05018	5.7
65.03949	8.1
67.05502	54.6
69.03424	17.4
69.07066	39.6
70.07447	2.8
71.05019	9.8
71.08637	5.3
79.05496	47.6
81.03412	19.4
81.07057	70.8
82.07407	4.4
83.04976	18.9
83.08627	28.3
85.02892	2.7
85.06568	7.2
85.10210	6.0
87.04489	4.6
89.06057	6.2
91.05479	59.9
93.07042	86.2
94.07372	3.7
95.04976	25.8
95.08607	63.7
96.08964	7.2
97.06536	18.1
97.10190	14.1
99.08134	4.7
103.05502	8.1
105.07026	100.0
105.07709	5.0
106.07353	3.1
107.05001	8.1
107.08590	78.1
108.08949	3.1
109.06511	21.1
109.10159	50.1
110.10490	2.9
111.08104	10.4
111.11782	4.8
113.06094	4.2
113.09681	7.4
115.05497	6.2
116.06260	2.9
117.07033	24.8
119.08580	94.9
120.08921	5.6
121.06528	14.6
121.10143	99.2
122.10530	6.3
123.08097	17.9
123.11687	18.6
125.05983	4.7
125.09652	18.8
128.06273	12.0
129.06984	17.6
130.07840	9.0
131.08562	48.8
131.09424	2.9
133.06558	8.2
133.08640	4.7
133.10130	64.3
133.61833	2.7
134.10469	3.7
135.08061	19.6
135.11703	27.2
135.12489	2.5
137.06041	3.1
137.09604	15.7
137.13271	5.0
139.11243	10.3
141.07042	5.9
142.07765	18.0
143.08580	43.0
144.09392	8.3
145.06538	4.4
145.10126	69.6
145.11200	5.4
147.04419	5.6
147.08047	15.2
147.11684	25.7
149.09590	18.7
149.13356	7.6
151.07603	8.8
151.11263	8.9
153.09177	3.3
153.12784	3.8
154.07724	3.3
155.07475	3.1
155.08553	14.7
155.10648	5.6
156.09363	14.7
157.10120	51.1
158.10815	6.3
159.04462	4.2
159.08060	13.2
159.11696	35.8
160.05240	3.1
161.06078	7.2
161.09608	20.3
161.13351	9.3
163.07585	3.0
163.11275	11.8
163.14886	3.6
165.07146	4.7
165.09117	16.3
167.08617	12.1
167.10674	65.6
167.11963	3.7
168.09355	4.3
169.10103	27.9
170.10980	5.0
171.11682	37.0
172.12163	4.7
173.06065	7.1
173.09773	7.3
173.13271	29.7
174.13829	3.0
175.11279	10.8
175.14850	18.9
177.05551	5.5
177.12836	3.5
179.08656	10.1
180.09389	4.2
181.10117	15.4
181.12358	4.8
182.10953	7.6
183.11694	27.8
185.09694	4.3
185.13268	19.4
187.07538	4.1
187.11252	6.9
187.14848	15.8
189.12851	12.1
189.16470	3.8
191.07112	7.3
191.14391	7.8
192.09424	4.4
193.08702	5.7
193.10283	10.5
193.12413	4.9
194.10934	10.4
195.11743	18.6
196.12572	6.8
197.13251	26.0
198.13945	3.9
199.11299	4.0
199.14951	12.3
201.12862	8.1
201.16464	4.6
203.14438	10.6
205.15872	3.6
206.10936	5.5
207.11795	16.3
207.13617	3.9
208.12500	5.7
209.08151	4.8
209.13301	26.2
209.15234	4.1
210.14098	4.6
211.09743	11.8
211.14798	15.1
212.15381	3.5
213.12938	4.4
213.16597	7.4
215.14438	8.1
215.17921	3.0
217.15950	5.9
219.11861	4.2
221.13348	16.3
221.15509	30.6
222.99454	2.8
223.13184	3.5
223.14920	17.7
225.12811	4.5
225.16481	7.8
227.14401	5.0
227.17996	4.0
231.11818	5.2
233.13248	6.7
233.15298	33.9
234.15979	3.3
235.14928	7.8
236.15541	4.7
239.18329	5.6
243.13910	3.5
245.13402	4.5
246.14043	4.1
247.15015	7.3
248.15727	4.9
249.16525	6.8
251.18135	5.5
253.19667	5.0
257.19144	4.0
259.47797	2.7
261.16364	4.5
263.18085	4.8
265.19537	6.3
266.25723	6.5
269.19119	10.9
271.13141	14.8
275.17911	4.0
281.19092	4.9
283.20676	3.8
285.18570	3.7
287.20300	3.6
289.14465	5.7
289.19626	5.5
303.15881	6.0
313.27548	8.1
317.22449	3.3
329.17590	4.5
331.24341	3.4
339.29254	4.8
340.29382	7.2
345.17188	6.3
347.18744	3.3
349.25406	3.8
359.18628	3.1
361.25763	2.9
365.24838	4.1
464.49124	2.9
491.35419	3.8
548.40125	3.6
583.33234	5.3
583.41907	9.1
601.41241	99.2
602.41180	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	601.4311
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04578	1.4
53.03949	3.0
55.01866	5.6
55.05510	53.2
56.05843	1.8
57.03420	2.0
57.07070	6.5
65.03930	4.7
67.05504	56.6
67.51193	1.4
69.02816	16.4
69.03426	7.0
69.07069	31.3
71.04999	3.8
71.08633	2.2
79.05489	37.8
81.03400	1.9
81.07056	62.2
82.07391	2.1
83.04979	6.0
83.08619	51.1
84.08939	1.8
85.06561	5.2
85.10211	2.1
89.06025	3.7
91.05482	38.0
93.07041	37.8
95.04972	7.7
95.08605	47.4
96.08985	2.6
97.06530	6.8
97.10169	54.1
98.22523	2.6
99.08081	3.8
105.07032	19.8
106.07435	1.5
107.04949	2.3
107.08593	35.6
109.06511	5.5
109.10155	25.6
111.08075	11.2
111.11713	3.0
113.05984	1.9
117.07019	6.1
119.04941	29.0
119.08581	18.8
121.06525	6.1
121.10131	35.2
123.08059	4.1
123.11707	6.9
125.09628	40.4
126.10030	1.9
129.07005	2.5
129.09097	2.0
131.08562	11.7
132.09021	1.7
133.08626	3.6
133.10117	18.5
134.10471	1.6
135.08066	7.9
135.11690	23.6
137.05946	1.6
137.09633	4.0
137.13260	3.9
139.07550	5.7
139.11177	5.3
143.08540	3.6
143.10683	6.8
145.10124	12.3
147.04407	100.0
147.11678	13.6
148.04785	3.2
149.09584	2.9
149.13272	10.0
151.11151	3.3
151.14804	2.4
153.09099	5.6
155.08577	2.1
157.08681	1.6
157.10132	2.9
157.12267	1.9
159.08154	1.8
159.11748	9.5
161.09572	2.5
161.13243	6.1
163.11319	1.7
163.14819	1.7
165.12775	2.4
167.10713	2.3
171.10187	2.9
171.11679	4.3
173.09602	2.2
173.11871	2.5
173.13321	4.6
175.09717	10.5
175.11032	2.6
175.14822	5.5
177.05522	2.2
177.16400	6.4
183.11699	2.6
185.13235	4.3
187.14799	4.1
189.11229	41.9
189.12828	3.5
189.16405	5.0
191.07068	2.4
191.14249	2.5
193.12300	2.3
199.14833	2.5
201.16394	3.8
203.07004	1.4
203.12692	1.7
203.18015	4.0
211.14828	1.7
213.16444	2.4
215.17929	3.4
217.19536	8.2
222.14101	1.7
233.19077	2.7
235.20613	8.5
237.14864	2.9
249.18579	4.8
251.20012	1.5
253.21619	6.5
259.16904	2.2
261.18536	3.4
261.22116	1.8
275.20071	5.8
277.21652	2.3
279.23224	4.1
289.21469	1.8
293.21103	2.2
297.24188	2.6
313.20029	1.6
333.20441	2.2
338.95193	1.6
359.29626	11.3
360.29846	1.7
365.74802	1.6
369.27756	3.8
373.27252	3.9
373.31418	2.0
377.30438	18.6
387.28857	14.0
388.29099	1.6
391.28070	5.5
391.32565	3.5
395.31442	6.6
405.29929	28.8
406.30399	2.9
419.31735	2.5
423.31088	8.3
433.33005	3.7
437.34149	7.5
511.37598	4.2
529.38794	16.3
530.39374	2.5
547.39838	33.2
548.40070	5.5
565.40912	12.1
601.26221	4.7
601.37079	18.9
601.50427	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	601.4676
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	65.4
57.03434	9.2
57.07075	77.8
57.71401	7.5
63.72896	8.2
67.05507	97.6
69.03439	8.3
69.07050	38.4
71.04967	10.3
79.05470	61.8
81.07057	100.0
83.04965	12.8
83.08621	36.6
89.06004	14.4
91.05421	18.9
93.07037	48.6
95.08588	84.5
97.06548	9.7
97.10162	56.7
98.34413	7.2
105.07040	24.6
107.08596	50.4
109.10156	65.1
111.08023	8.9
119.08575	33.6
121.10166	40.1
123.11718	18.9
125.09649	59.6
127.11174	32.1
131.08557	21.0
133.10110	15.0
135.11690	34.1
137.09645	12.2
145.10138	18.3
147.11613	9.6
149.09673	17.6
149.13297	13.8
153.09093	24.3
159.11662	17.0
161.13264	15.7
173.13261	13.0
187.14835	10.6
189.11208	67.0
223.16887	7.9
224.53529	8.6
234.94952	7.8
243.21045	14.5
261.22214	37.4
261.75186	7.6
279.23163	77.3
297.24255	69.8
373.62827	9.0
385.31064	11.9
399.39667	7.9
403.31998	27.6
405.33691	15.7
421.33023	24.5
431.31558	47.0
439.33978	21.8
449.32764	16.5
601.36938	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	602.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
54.91441	0.6
55.01869	1.0
70.93108	1.7
71.09956	0.7
76.12735	0.7
78.04721	0.9
79.05497	6.2
81.03405	0.9
81.07049	1.2
85.02912	1.2
89.33853	0.9
91.05468	2.7
94.26086	0.7
95.04951	2.0
103.05458	2.7
105.07035	15.8
106.04156	0.9
106.07361	0.7
107.04962	6.1
108.30314	0.7
109.02869	0.8
115.05444	1.4
118.04158	2.2
119.04970	0.7
121.02903	2.7
121.06483	1.6
122.03187	1.1
123.04431	3.2
124.05195	3.1
131.04974	1.0
133.06488	12.9
135.04440	0.8
135.08034	1.5
137.05984	6.4
139.07555	4.5
147.04384	1.0
148.05112	1.0
149.06023	1.1
150.06758	6.6
151.03944	1.4
151.07495	1.4
153.01837	2.1
153.05466	1.3
161.05913	1.3
163.07570	1.0
165.09114	11.2
167.07036	79.0
168.07378	2.7
178.06161	0.7
181.04929	1.8
181.08588	2.2
193.08601	100.0
194.09042	4.3
195.10172	3.2
211.09645	21.5
212.10039	0.9
225.10922	0.7
287.05518	2.3
288.05838	1.8
319.04388	2.5
320.04883	3.2
321.05057	0.9
603.20264	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.3
55.01856	0.2
61.02926	0.2
64.03159	0.1
69.03409	0.2
69.38994	0.6
69.39410	0.3
78.04712	1.1
79.05479	0.6
81.03420	0.4
81.07069	0.2
85.02915	0.8
90.81752	0.1
91.05479	0.4
93.07042	0.2
94.80531	0.1
95.04969	0.3
97.02880	0.4
98.22623	0.2
99.04417	0.2
103.05487	0.3
105.07027	0.5
106.04166	0.9
107.04975	0.9
109.02886	0.3
109.62758	0.1
115.05460	0.1
119.04946	0.2
121.06515	0.3
122.03574	0.1
123.04431	3.0
124.05222	1.2
131.04845	0.1
133.06506	0.5
137.05956	0.5
145.04904	0.2
147.08025	0.1
149.05977	0.4
151.03917	0.6
151.07538	0.1
152.04680	1.0
155.49490	0.2
161.05962	0.6
163.07520	0.2
166.06203	0.2
167.07040	100.0
168.07387	3.4
179.06917	0.3
180.08649	0.2
181.08618	0.8
193.08621	3.6
194.08920	0.2
211.09657	13.2
212.09991	0.7
213.11299	0.6
500.98978	0.2
603.20441	0.2
603.29626	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.2
51.02373	0.5
53.03939	0.4
53.81011	0.2
55.01867	0.3
55.05515	0.3
57.03444	0.2
61.02932	0.2
62.26951	0.2
62.93040	0.1
65.03931	0.2
67.05486	0.6
69.03426	2.7
69.07067	0.7
69.32342	1.2
71.04987	0.6
71.08635	0.3
74.19566	0.2
78.42026	0.1
79.01853	2.8
79.05485	0.5
81.03419	6.3
81.07053	2.2
83.04957	0.3
85.02908	2.9
87.00847	0.2
91.05480	0.2
93.07036	0.9
95.04969	1.2
95.08649	0.3
97.02894	4.4
97.06515	0.2
99.04447	1.3
99.08061	0.4
105.07031	0.6
107.01317	1.6
107.04958	0.3
107.08585	0.5
109.02877	5.0
109.06518	0.3
109.10162	1.5
111.04426	0.3
117.07005	0.2
119.08601	0.4
121.02818	0.2
121.06495	0.2
121.10141	0.7
123.00751	0.2
125.02345	3.1
125.06014	0.5
126.27318	0.2
127.03915	6.7
131.08565	0.2
135.11684	0.2
137.05986	0.7
137.09636	0.4
139.11176	0.4
143.03398	4.4
143.07100	0.4
145.04903	1.1
145.10132	0.6
147.04408	0.3
147.07982	0.2
147.11716	0.2
147.76382	0.2
151.07510	0.3
151.81714	0.2
153.01826	100.0
153.02859	4.1
154.02167	2.8
155.07092	0.3
155.10654	1.7
159.11714	0.3
161.09698	0.2
163.11186	0.4
167.07033	0.3
169.10033	0.2
171.02885	12.5
172.03253	0.5
173.09705	0.2
179.07033	0.2
181.12267	0.4
183.13705	0.2
183.16141	0.2
187.11162	0.5
191.10698	0.6
198.70712	0.2
199.13280	0.2
201.79736	0.2
205.12265	0.3
209.11740	0.4
213.03746	0.2
230.98724	0.2
233.11768	0.6
237.03799	0.3
251.12857	0.6
253.17831	0.8
269.13879	0.6
279.04919	0.6
297.06039	6.1
298.06409	0.4
315.07092	13.8
316.07526	0.8
325.16406	0.3
395.17096	0.7
525.29840	0.2
534.96411	0.2
599.33698	0.2
603.29346	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.5
58.17545	1.4
64.76115	1.4
65.03935	1.9
67.05503	3.0
69.14610	11.8
73.53310	1.7
79.05478	11.7
81.07053	4.0
83.39124	1.3
91.05468	13.3
91.82696	1.3
93.07032	7.0
95.04961	2.9
95.08590	2.9
103.05458	7.2
105.07029	45.8
107.04971	9.9
115.05430	13.4
118.04186	4.0
119.04933	6.8
121.06506	5.9
121.10081	2.5
123.04431	3.7
123.08059	4.5
128.70529	1.5
131.04907	2.7
131.08603	2.3
132.05711	2.3
133.02899	1.4
133.06482	45.2
135.04321	2.1
135.08026	3.1
137.05986	10.2
137.09575	2.0
143.04964	8.3
143.05902	2.0
147.04367	8.0
147.08031	1.6
149.02408	2.0
149.05977	4.4
149.09650	1.4
150.06767	2.0
151.07515	15.2
152.04745	1.6
152.07814	1.5
153.05418	5.7
153.15648	1.6
157.10109	1.4
159.08034	3.3
161.05981	19.1
162.06560	1.7
163.03894	8.0
163.07472	4.4
165.05489	4.6
165.09103	5.0
166.06259	2.8
167.07004	15.1
173.09653	2.7
177.05421	5.9
177.09102	2.1
178.06288	7.7
179.07022	100.0
180.07474	2.5
181.08585	18.0
187.07535	5.7
191.07053	4.1
193.08591	43.3
194.09364	26.6
195.10159	8.7
196.10411	1.8
201.09126	6.4
205.08534	4.9
209.07855	1.9
211.07854	2.0
211.09647	12.9
219.10088	13.2
239.12888	3.4
253.70193	1.5
373.16422	91.1
374.16696	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20576	1.4
55.01869	4.5
67.05489	2.2
70.02691	6.0
73.41427	1.4
74.68220	1.5
79.05488	11.9
81.07054	3.1
84.35497	1.3
91.05473	13.9
93.07063	3.8
95.04973	4.5
95.08596	2.1
98.38843	1.4
103.05460	8.3
105.03410	1.6
105.07027	52.2
107.04950	9.1
107.08624	1.8
109.06540	1.6
115.05454	17.7
118.04194	4.0
119.04938	9.9
119.08613	1.6
121.06495	8.0
123.04460	3.3
123.08076	3.8
131.04938	2.6
132.05704	2.4
133.06485	35.1
133.10109	1.5
135.04414	2.5
135.08043	3.5
137.05946	8.1
143.04933	5.8
143.06013	2.5
144.41357	1.4
147.04431	7.5
147.08018	2.6
149.06007	6.8
150.06749	2.1
151.07544	15.4
153.05440	7.7
154.06281	1.9
158.07280	1.6
159.08087	3.1
161.05978	15.8
162.06685	1.8
163.03958	6.9
163.07558	4.8
165.05508	2.9
165.09093	7.2
166.06282	2.4
167.07043	18.8
173.09634	4.1
177.05524	6.7
177.09134	1.8
178.06271	8.1
179.07030	100.0
180.07440	4.0
181.08572	25.0
181.10042	1.7
187.07524	4.2
191.06975	3.5
193.08600	47.6
193.10402	2.7
194.09377	23.5
195.10126	8.9
201.09122	5.3
205.08607	4.6
209.08118	3.3
211.09714	2.3
219.10138	17.5
233.11685	2.0
239.12727	10.1
299.08798	1.4
373.16440	93.3
374.16663	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	602.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65567	0.7
51.02361	0.8
53.03931	1.0
55.01867	2.0
55.05510	7.9
57.03448	0.7
57.07079	1.2
58.99578	9.8
59.57937	0.8
61.01143	0.9
67.05162	1.2
67.05502	19.6
69.07064	9.3
71.04990	1.5
71.43664	0.8
74.00654	5.3
76.01806	1.2
76.02224	19.2
76.04005	1.6
77.03902	1.1
77.22701	0.7
78.04705	1.5
79.05489	25.7
81.07051	24.1
83.04962	2.1
83.06095	1.6
83.08614	4.0
84.04496	11.8
85.06532	1.8
86.99062	3.6
88.02215	1.9
91.05477	15.6
93.07042	35.9
95.04958	2.3
95.08609	19.8
97.01131	1.5
97.06518	2.5
97.10169	2.2
99.05572	2.7
102.05513	1.0
105.07030	15.4
106.04159	1.1
107.04964	1.7
107.08588	27.0
109.06483	1.7
109.10147	8.1
111.02662	1.5
112.03916	0.9
116.01672	20.8
117.07027	5.5
119.08567	11.7
121.06506	1.1
121.10141	16.0
122.10439	0.7
123.02602	0.8
123.04424	2.6
123.08074	1.8
123.11698	1.3
124.05188	0.9
125.04260	1.1
125.09587	0.7
127.07523	1.2
129.06648	2.7
130.05016	6.4
131.04475	1.0
131.08577	7.5
133.10130	8.5
135.08025	1.9
135.11685	19.5
137.04201	2.1
137.13246	0.9
142.03207	5.6
143.08571	2.8
144.01138	9.9
145.06088	2.8
145.10106	6.7
147.11659	9.6
149.09599	1.3
149.13251	13.3
151.03874	1.4
151.11130	1.2
153.06598	1.4
157.10100	1.4
159.11659	5.2
161.09624	1.0
161.13232	6.1
162.02191	44.6
163.02490	1.0
163.14806	3.0
165.12602	0.8
167.07030	52.2
170.02682	2.0
171.11676	4.4
173.13210	4.2
175.11163	0.8
175.14818	2.1
177.03236	1.2
177.12755	1.2
179.04857	16.5
181.06151	1.0
185.03810	1.4
185.13248	2.7
187.05392	1.3
193.08591	2.9
195.13750	1.0
199.07167	0.9
199.14780	1.3
207.13806	1.8
211.09642	2.6
213.16267	1.7
215.18082	1.2
221.15363	2.9
224.16466	2.4
231.04305	1.3
231.17461	1.0
233.05937	1.8
235.16928	3.3
241.19612	3.5
245.05905	2.0
247.92755	0.8
251.19948	0.8
257.19022	1.0
259.20572	8.0
268.57300	0.8
275.20126	4.1
277.21609	100.0
278.22064	6.4
289.16199	1.5
291.17743	2.4
295.22659	1.9
307.17206	4.4
308.09183	4.6
309.18796	5.6
334.21988	2.1
335.20361	2.3
350.97488	1.0
352.22943	5.3
362.21350	1.2
370.24039	20.3
371.24667	1.5
380.22495	1.2
420.21988	1.8
438.23111	5.6
455.19324	0.9
455.25702	17.4
456.24258	4.1
463.26193	1.1
473.26764	19.3
474.27124	1.5
481.27234	0.9
494.10083	0.9
527.27856	11.6
528.28040	2.3
554.67468	0.8
584.29755	3.3
602.31140	8.4
603.27679	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.4
54.01605	0.1
55.01870	0.7
55.05510	0.3
57.03421	0.3
60.05631	0.2
65.03944	0.4
67.05505	0.9
69.07082	0.5
71.33739	0.2
79.05491	4.6
81.07053	0.9
83.08608	0.3
91.05480	2.8
93.03418	0.2
93.07043	0.8
95.04970	1.9
95.08605	0.8
95.52127	0.2
97.10164	0.5
99.08086	0.3
103.05457	3.8
104.05764	0.2
105.04547	0.3
105.06328	0.3
105.07023	5.3
106.04200	0.2
106.07324	0.2
107.04948	41.0
107.08555	1.0
108.05270	1.0
109.06514	0.3
109.10174	0.5
111.04438	0.3
115.05457	2.8
117.07003	1.4
119.04890	0.4
119.08567	0.3
120.05737	1.2
121.06489	0.3
121.10114	0.4
123.04430	0.8
123.08023	0.2
123.30445	0.2
124.05183	0.8
125.05984	0.6
125.09625	0.3
131.04926	0.6
131.08513	0.4
133.02827	0.2
133.06525	0.4
133.10107	0.3
134.07332	0.2
135.08046	12.2
135.11682	0.4
136.08392	0.3
136.12091	0.2
137.05960	0.5
139.03880	0.6
145.06554	0.3
145.07574	0.8
145.10135	0.2
147.04370	0.8
147.11591	0.2
148.05142	0.3
149.06007	0.3
151.03860	0.4
152.04663	0.6
153.79932	0.2
154.06247	3.1
161.13322	0.2
162.06784	0.3
163.03880	0.8
163.07539	18.9
164.07953	0.6
165.05502	0.4
167.07030	19.9
168.07350	0.5
169.21471	0.2
173.09546	0.2
180.07816	3.5
195.10153	100.0
196.10501	3.4
203.98911	0.2
246.97537	0.2
271.42841	0.2
279.23026	0.2
391.21313	0.4
525.31836	0.2
600.65350	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48976	4.1
55.01856	5.1
55.05505	42.3
56.48869	4.1
57.07064	8.2
67.05502	28.5
69.07075	30.9
69.43452	23.1
69.43871	8.0
71.08637	8.7
79.05486	14.7
81.07057	31.6
83.08623	65.2
90.93807	4.3
91.05506	4.6
91.15815	4.7
93.07059	16.8
95.04963	6.3
95.08604	21.9
97.06522	6.5
97.10168	53.3
107.08598	20.7
109.10150	11.7
111.08099	20.2
117.77077	4.3
119.08604	6.1
121.10169	14.6
125.09630	65.8
131.08649	6.3
135.11700	6.2
139.07576	14.6
139.11157	13.0
143.10678	7.5
153.09102	7.3
157.08537	9.3
157.12407	5.3
171.10179	12.9
175.09641	55.1
189.11221	100.0
189.12814	8.6
193.12238	5.2
237.22221	9.2
255.23148	14.6
379.32117	20.1
393.33777	9.4
397.33084	15.6
411.34756	13.3
425.32452	7.2
531.40381	5.4
549.41437	6.0
567.41974	6.1
602.37213	13.1
602.52313	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	603.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07931	0.5
52.29893	0.5
55.05498	0.6
67.05500	1.1
69.07059	1.0
71.32980	0.6
78.04700	2.6
79.05479	2.2
81.07037	1.5
81.85533	0.5
83.12873	0.6
84.04446	0.6
91.05484	0.9
93.07033	1.7
94.07380	0.5
95.04974	0.9
95.08585	0.7
105.07034	2.1
106.04167	0.8
107.04958	1.6
107.08560	1.3
115.37197	0.6
116.01675	0.9
119.08633	0.7
121.06512	0.9
121.10102	0.7
123.04436	4.4
124.05190	1.4
131.08549	0.8
133.06488	1.6
133.10130	0.6
135.11693	0.7
137.05835	0.6
143.08505	0.6
145.10149	0.8
149.05960	0.7
150.21619	0.7
151.03906	1.1
152.04694	1.5
161.05959	1.6
162.02238	1.6
167.07030	100.0
168.07367	3.1
181.08531	0.9
193.08612	6.2
199.07646	0.5
211.09709	5.0
258.87952	0.5
277.21558	2.6
278.21954	3.0
306.53375	0.6
456.26080	0.7
474.27185	0.9
603.21356	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
69.40596	11.9
74.17734	1.8
78.21994	2.0
94.04167	2.2
114.74814	1.8
122.03669	6.0
123.04480	3.2
137.05974	86.3
151.03838	2.0
163.07556	3.6
167.07037	41.9
181.08603	2.7
184.79181	1.9
188.89011	1.8
193.08633	4.6
211.09607	2.0
225.58841	1.9
389.22922	2.3
406.10175	23.0
603.18231	100.0
604.18311	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	603.3678
Annotation	Garcinol
Peak:m/z	Relative Intensity
53.03937	1.6
55.05501	5.0
57.07067	1.6
67.05506	8.7
69.07072	8.8
70.53387	1.0
70.53705	1.7
79.05498	9.4
81.07053	12.8
82.07422	1.1
83.08607	5.0
89.03895	4.4
91.05470	8.1
93.07036	12.1
94.07367	1.1
95.04975	1.2
95.08605	24.1
96.08929	1.5
97.10169	1.9
103.05497	1.6
105.07018	11.8
107.04953	2.1
107.08595	13.4
108.05759	4.5
109.10151	10.3
115.00190	1.3
117.03368	5.5
117.07019	2.7
117.23917	0.9
119.05007	1.6
119.08567	13.3
121.06495	1.7
121.10146	15.1
123.08067	40.0
123.11691	5.3
124.08389	1.2
125.09674	1.4
128.08716	1.0
131.08574	3.4
133.10107	8.3
135.04417	11.0
135.08052	28.1
135.11682	8.8
137.13258	2.6
143.08542	1.4
145.02840	8.4
145.10124	4.7
147.04410	3.4
147.11682	6.4
149.09624	7.1
149.13248	5.1
151.07538	100.0
152.07910	2.3
157.10139	2.8
159.08110	1.3
159.11693	6.0
160.08885	1.7
161.09676	2.4
161.13266	6.0
163.03899	43.5
163.11218	4.4
163.14841	5.7
164.04285	1.3
171.11678	2.3
173.09621	3.8
173.13248	2.6
175.11194	14.6
175.14847	3.6
177.05591	1.3
177.12686	1.1
177.16423	3.1
181.04945	6.5
185.13242	1.1
187.14711	5.1
189.16356	5.1
191.17935	13.3
193.10252	1.0
199.14812	2.1
201.12659	2.1
201.16425	3.6
203.17918	4.2
213.12880	0.9
213.16331	1.7
214.17111	1.4
215.14290	1.2
215.17979	2.3
217.19510	3.3
229.19528	2.0
231.21069	1.8
257.22598	9.1
273.25763	10.2
283.24203	4.1
301.25470	1.3
379.29819	2.1
405.31531	2.5
406.55222	1.0
422.52029	1.2
430.79568	1.0
462.97614	0.9
519.44250	0.9
559.34814	1.6
603.36774	5.8
604.36310	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.1
53.03945	3.7
55.01868	4.7
55.05510	59.2
57.03431	3.6
57.07070	4.9
58.64664	1.1
59.04989	3.9
61.73256	1.0
65.03930	2.5
67.05503	65.3
69.03429	4.7
69.07066	31.3
71.04996	5.4
71.08633	1.6
77.83929	1.1
79.05491	37.3
81.07053	73.7
82.07392	2.8
83.04982	11.3
83.08618	36.0
84.22372	1.1
85.06542	8.2
91.05477	27.1
93.07047	38.5
94.07383	1.4
95.04967	5.3
95.08604	58.9
96.08939	2.6
97.06541	7.7
97.10168	52.1
98.10506	1.8
99.04437	1.1
99.08089	3.3
101.06020	27.6
105.07032	17.7
107.08592	36.0
108.08906	1.5
109.02902	1.1
109.06490	4.5
109.10151	32.8
111.04428	4.1
111.08117	5.2
111.11722	2.1
113.05978	2.7
117.07009	7.5
119.04923	13.6
119.08585	17.3
121.06529	3.5
121.10147	25.5
123.08040	5.1
123.11708	13.6
125.09630	42.6
126.09942	1.5
129.06998	1.7
131.08563	11.6
133.10127	16.7
135.08057	7.2
135.11694	19.3
137.09618	3.8
137.13274	7.2
139.11169	1.6
143.08569	2.9
143.10667	2.3
145.10127	12.3
147.04402	46.4
147.11676	11.9
148.04730	2.5
149.09607	6.5
149.13242	9.9
151.11147	5.6
151.14835	1.7
153.01801	7.3
153.09117	16.9
155.08517	1.2
157.10074	3.0
159.08163	1.3
159.11684	11.5
160.12105	1.6
161.09573	1.6
161.13257	10.0
163.11186	3.4
163.14807	3.6
165.05435	1.4
165.12732	2.8
167.10634	1.3
171.10194	2.9
171.11665	3.3
173.11771	3.1
173.13278	6.9
175.14856	3.6
177.12767	5.0
177.16394	3.7
179.14293	2.3
185.13266	3.7
187.14772	5.4
189.09454	2.1
189.11212	40.1
189.12616	1.6
189.16365	3.2
190.11513	1.6
191.14311	1.2
195.13716	1.5
201.12880	1.5
201.16374	2.8
203.17953	2.4
209.15327	2.2
215.17978	1.5
217.19513	1.9
223.16858	2.0
241.19510	1.9
243.21086	11.9
249.18443	1.6
261.15063	1.5
261.18347	1.2
261.18918	1.4
261.22131	24.6
275.19931	2.0
277.21570	2.7
279.23178	100.0
280.23459	7.7
293.21002	2.0
295.22607	2.7
297.24225	79.5
298.24600	6.9
305.20944	1.2
323.21997	2.1
333.23956	1.5
389.26776	1.7
395.29446	5.4
403.32047	3.1
407.27960	2.0
413.30417	12.8
431.31537	64.6
432.31577	5.3
436.33441	1.3
439.32043	3.3
449.32626	41.1
450.32596	4.6
467.33627	4.7
531.36682	1.6
549.38367	1.3
567.38763	10.6
570.29291	1.2
603.33435	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	603.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.1
53.03945	3.7
55.01868	4.7
55.05510	59.2
57.03431	3.6
57.07070	4.9
58.64664	1.1
59.04989	3.9
61.73256	1.0
65.03930	2.5
67.05503	65.3
69.03429	4.7
69.07066	31.3
71.04996	5.4
71.08633	1.6
77.83929	1.1
79.05491	37.3
81.07053	73.7
82.07392	2.8
83.04982	11.3
83.08618	36.0
84.22372	1.1
85.06542	8.2
91.05477	27.1
93.07047	38.5
94.07383	1.4
95.04967	5.3
95.08604	58.9
96.08939	2.6
97.06541	7.7
97.10168	52.1
98.10506	1.8
99.04437	1.1
99.08089	3.3
101.06020	27.6
105.07032	17.7
107.08592	36.0
108.08906	1.5
109.02902	1.1
109.06490	4.5
109.10151	32.8
111.04428	4.1
111.08117	5.2
111.11722	2.1
113.05978	2.7
117.07009	7.5
119.04923	13.6
119.08585	17.3
121.06529	3.5
121.10147	25.5
123.08040	5.1
123.11708	13.6
125.09630	42.6
126.09942	1.5
129.06998	1.7
131.08563	11.6
133.10127	16.7
135.08057	7.2
135.11694	19.3
137.09618	3.8
137.13274	7.2
139.11169	1.6
143.08569	2.9
143.10667	2.3
145.10127	12.3
147.04402	46.4
147.11676	11.9
148.04730	2.5
149.09607	6.5
149.13242	9.9
151.11147	5.6
151.14835	1.7
153.01801	7.3
153.09117	16.9
155.08517	1.2
157.10074	3.0
159.08163	1.3
159.11684	11.5
160.12105	1.6
161.09573	1.6
161.13257	10.0
163.11186	3.4
163.14807	3.6
165.05435	1.4
165.12732	2.8
167.10634	1.3
171.10194	2.9
171.11665	3.3
173.11771	3.1
173.13278	6.9
175.14856	3.6
177.12767	5.0
177.16394	3.7
179.14293	2.3
185.13266	3.7
187.14772	5.4
189.09454	2.1
189.11212	40.1
189.12616	1.6
189.16365	3.2
190.11513	1.6
191.14311	1.2
195.13716	1.5
201.12880	1.5
201.16374	2.8
203.17953	2.4
209.15327	2.2
215.17978	1.5
217.19513	1.9
223.16858	2.0
241.19510	1.9
243.21086	11.9
249.18443	1.6
261.15063	1.5
261.18347	1.2
261.18918	1.4
261.22131	24.6
275.19931	2.0
277.21570	2.7
279.23178	100.0
280.23459	7.7
293.21002	2.0
295.22607	2.7
297.24225	79.5
298.24600	6.9
305.20944	1.2
323.21997	2.1
333.23956	1.5
389.26776	1.7
395.29446	5.4
403.32047	3.1
407.27960	2.0
413.30417	12.8
431.31537	64.6
432.31577	5.3
436.33441	1.3
439.32043	3.3
449.32626	41.1
450.32596	4.6
467.33627	4.7
531.36682	1.6
549.38367	1.3
567.38763	10.6
570.29291	1.2
603.33435	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	603.4248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02358	3.7
53.03939	13.8
55.01869	21.3
55.05265	3.6
55.05512	46.5
57.03436	4.6
57.07063	4.8
61.79705	2.5
65.03929	4.0
67.05161	6.0
67.05505	67.6
68.05822	2.9
69.03437	5.3
69.07067	30.1
71.04990	5.9
71.08636	26.4
79.05492	75.9
81.03435	17.3
81.03850	3.8
81.06571	5.1
81.07054	100.0
82.07390	4.9
83.04993	19.1
83.08619	25.8
85.06555	13.7
91.05479	55.6
92.43843	2.7
93.06452	5.2
93.07040	81.6
93.07612	5.2
93.93779	3.1
94.07327	3.8
95.04967	43.3
95.05547	4.6
95.08599	60.3
97.06531	38.6
97.10172	23.4
98.22585	5.8
99.08082	14.7
103.05483	4.4
105.04553	3.8
105.07027	56.6
107.04964	20.3
107.08593	50.7
109.06519	12.7
109.10154	20.0
111.04446	8.8
111.08073	9.7
113.09637	3.7
117.07006	18.7
119.08579	51.7
121.06503	11.0
121.10146	36.1
123.08078	15.1
123.11699	4.8
125.09657	13.5
129.07004	7.4
131.08589	23.8
133.06473	6.1
133.10143	31.9
135.08060	10.1
135.11690	38.7
137.09596	6.9
139.11060	3.3
141.06972	3.5
143.08498	7.8
145.10098	29.8
147.08031	13.9
147.11668	16.6
149.09657	10.4
149.13263	12.3
151.11174	8.9
153.09114	6.9
153.12727	4.7
157.10130	9.8
159.11662	17.1
161.09645	4.2
161.13263	13.0
163.11192	20.4
163.14816	3.9
164.26347	2.9
165.09152	4.6
169.10081	2.9
171.11642	6.2
173.13277	7.4
177.12662	6.2
179.14301	93.0
180.14688	5.4
181.12259	8.1
183.11607	3.5
185.13225	5.9
187.11192	4.0
189.11230	13.9
193.12164	4.4
201.12706	3.2
213.43965	2.6
221.15410	4.6
223.13170	14.5
235.16870	5.2
247.20717	3.4
257.18967	3.1
259.20554	5.1
273.18564	26.4
275.20090	55.5
276.20358	4.2
277.21603	60.0
278.22021	3.9
291.19540	90.2
293.21060	52.1
294.21457	3.5
309.20453	5.0
406.19473	3.7
448.77765	2.7
505.38779	4.4
603.39215	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	603.4826
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81009	2.8
51.87372	2.3
52.00916	2.1
53.03934	3.4
55.01849	3.9
55.05510	27.4
57.03430	2.7
57.07062	5.3
59.36758	2.3
62.76336	2.2
63.70090	2.2
64.38900	2.1
65.03917	4.1
67.05504	74.8
69.07065	38.1
69.27681	2.1
71.04980	4.0
71.33876	3.0
79.05492	34.8
81.07054	100.0
82.07349	2.5
83.04977	6.7
83.08620	23.2
85.06532	6.0
89.03906	4.6
91.05459	21.5
93.06500	4.4
93.07044	49.1
95.04920	2.7
95.08001	4.4
95.08603	85.5
95.29177	2.3
96.08965	3.6
97.06525	6.7
97.10173	17.2
99.08107	6.3
105.07030	26.9
107.08585	36.8
109.06534	2.5
109.10160	43.4
111.08040	4.2
111.11726	3.9
117.07018	5.9
119.08585	26.3
121.10137	41.9
123.08060	4.6
123.11695	14.6
125.09586	5.4
127.11147	2.6
129.06970	3.8
129.17857	2.4
131.08556	18.5
133.10141	29.6
135.04417	9.0
135.08020	2.5
135.11688	35.4
137.13255	9.8
139.11145	4.3
141.07010	2.5
141.09088	3.2
142.83867	2.2
145.02829	5.8
145.10100	13.5
147.04379	6.8
147.11673	20.3
147.94774	2.1
149.13237	12.2
151.11145	3.8
151.14868	3.2
157.10063	2.7
159.11693	8.5
161.13290	15.3
163.03897	54.0
163.11124	3.8
163.14807	12.4
169.50313	2.3
171.11639	2.7
173.11803	3.0
173.13220	6.5
175.14824	7.6
179.14377	3.5
185.13248	5.5
187.14816	11.3
189.16396	10.1
191.17921	7.1
195.13821	2.7
201.16423	4.9
205.15791	3.2
215.18024	2.9
217.19539	10.7
229.19601	2.6
233.19012	2.8
235.20547	13.1
242.22026	2.3
243.21095	6.8
253.21634	11.5
261.22098	23.4
275.20218	3.0
279.23190	76.6
280.23529	8.0
297.24216	26.9
298.24677	2.7
405.31384	3.5
423.32724	3.7
495.41824	9.0
496.41632	3.6
513.42950	25.4
522.29517	3.3
531.43988	27.0
532.44403	3.7
549.45105	17.5
595.38562	2.4
603.24927	3.8
603.36780	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	603.4829
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.5
53.03937	1.6
55.01879	3.5
55.05512	24.6
57.03440	3.0
57.07073	6.3
58.97950	1.5
65.03958	4.3
67.05505	76.3
68.05827	2.6
68.49791	1.4
69.03436	3.2
69.07066	36.1
71.05000	6.9
79.05490	34.7
80.05841	2.5
81.07057	100.0
82.07404	5.3
83.05002	5.7
83.08614	24.4
85.06532	8.0
91.05481	24.4
93.07046	47.0
94.07366	2.2
95.04975	4.8
95.08607	87.2
96.08932	3.0
97.06534	11.2
97.10170	13.7
99.08105	4.6
101.06049	2.0
105.07032	19.4
107.04988	1.7
107.08588	32.4
108.08880	1.7
109.06528	3.5
109.10159	50.0
110.10490	2.2
111.08095	7.6
111.11707	3.8
113.05980	2.2
117.07015	4.7
119.04958	3.0
119.08574	20.2
121.10149	37.5
121.10992	2.9
122.10492	2.0
123.08080	6.2
123.11700	16.8
125.09640	4.4
131.08591	9.9
133.10149	20.1
135.08073	3.6
135.11703	29.4
136.12129	2.2
137.05942	2.3
137.09625	5.6
137.13254	8.5
139.11201	6.2
143.08546	2.0
145.10135	10.3
147.04402	7.8
147.08055	2.0
147.11687	14.9
149.09634	4.1
149.13269	11.1
151.11229	5.7
151.14809	4.0
153.01865	1.5
153.09102	1.8
153.12752	4.1
157.10176	1.9
159.11731	5.4
161.13266	11.8
163.03935	1.6
163.11212	2.2
163.14868	4.4
165.12827	2.2
171.11722	2.6
173.11870	2.8
173.13298	7.4
175.11116	1.8
175.14893	5.1
177.12692	2.1
177.16418	3.7
179.14404	2.5
185.13332	1.7
187.14867	4.3
189.11226	2.0
189.16418	3.0
191.17940	2.0
195.13728	1.7
201.16324	3.5
202.16731	2.3
203.17940	2.4
204.04448	1.6
205.15930	2.4
209.15227	1.6
215.17967	2.3
217.19591	10.8
219.17516	2.6
233.19046	2.1
235.20450	10.9
237.14743	2.3
237.18364	8.7
238.18846	6.8
243.21078	8.3
249.15007	1.6
249.18517	2.9
253.21631	9.2
261.22165	17.0
269.26398	1.5
271.22559	1.7
279.23190	81.4
280.23550	5.2
297.24255	28.0
298.24600	2.0
377.26559	6.0
405.29883	2.4
440.23529	1.5
444.86945	1.7
495.41779	7.2
513.43005	17.3
531.44104	20.7
532.44598	2.8
549.45105	9.2
567.46204	2.3
603.34760	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	604.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.3
55.01859	4.2
57.03442	2.5
61.02939	3.5
62.71989	2.1
65.03918	2.6
67.05492	2.8
69.03439	6.8
69.85862	2.2
71.32487	3.4
79.05505	5.7
81.03407	14.7
83.04968	4.4
85.02913	13.6
91.05492	10.1
95.04980	6.9
97.02889	7.6
97.06552	4.5
99.04382	3.5
103.05490	2.9
105.07042	7.2
107.04942	23.8
109.02868	59.1
109.06516	4.2
115.05408	2.5
117.07001	2.5
119.04943	6.3
121.02864	7.6
121.06524	8.4
121.10205	2.6
123.04436	9.9
125.05975	12.0
126.03136	9.7
126.58601	2.5
127.03911	4.5
131.04893	4.6
133.02838	6.8
133.06503	6.4
135.04433	2.8
135.08083	4.8
137.05954	28.6
139.03966	2.9
141.05443	31.7
145.06514	3.4
146.07307	5.0
147.04398	4.4
147.08026	6.6
149.05966	5.4
150.06816	3.2
151.03862	3.4
151.07527	33.2
153.01820	20.0
153.05444	38.8
161.05927	16.6
162.06660	4.8
163.03935	7.2
163.07533	25.9
165.05501	10.4
165.09096	10.6
167.07024	8.7
169.04950	52.4
171.66074	2.4
173.06023	6.1
176.04547	3.5
177.05455	6.1
177.09109	9.8
178.09885	100.0
179.07123	6.1
179.10660	21.4
181.04939	43.5
183.06590	7.0
189.05540	3.3
189.09207	3.0
190.06294	7.1
191.07010	23.7
193.04967	11.3
193.08606	22.9
195.06529	8.7
201.05444	5.4
207.06529	7.4
211.05980	9.9
211.09702	9.7
221.08138	8.0
227.09172	4.9
233.08028	18.1
237.07623	6.9
251.09158	25.4
297.06177	2.9
329.14093	6.5
359.14838	46.5
360.15204	5.4
371.14944	8.6
389.15848	8.7
604.23950	2.9
605.22784	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	604.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	9.0
55.01870	12.7
55.05516	11.1
63.68119	4.2
67.05509	23.6
69.03432	18.7
69.07076	16.7
69.21200	11.5
69.21606	34.0
71.04993	21.0
79.05495	26.3
81.03414	47.6
81.07050	57.4
83.04981	26.6
85.02925	14.5
85.06531	10.4
91.05503	16.6
93.07044	64.9
95.04956	19.1
95.08588	49.7
97.02908	21.8
97.06555	32.5
99.04436	28.1
105.07032	49.0
107.04964	12.6
107.08595	51.8
109.02895	41.3
109.06524	28.3
109.10171	9.2
111.04440	10.4
111.08054	27.0
119.08532	28.2
120.43932	4.6
121.06492	63.2
121.10138	31.2
123.04403	13.5
123.08080	18.4
123.11677	13.4
125.06015	23.9
127.03922	42.4
127.07550	9.5
131.08583	19.5
133.06551	7.4
133.10130	20.0
135.04419	6.9
135.08066	15.0
135.11691	10.3
135.96913	4.4
136.07545	11.5
137.06004	17.5
137.09639	8.2
139.03888	7.7
139.07529	23.6
141.05496	9.5
143.07068	15.0
143.08575	8.4
145.06570	5.5
145.10143	29.1
147.04411	6.8
147.11647	26.0
149.05983	5.6
149.09662	15.2
151.03920	8.1
151.07552	14.1
151.11197	5.6
153.01804	26.0
153.05521	6.2
154.02185	5.3
157.08714	7.5
157.10138	19.0
159.06569	11.2
161.06004	5.1
161.13309	8.4
163.11151	66.8
164.07051	14.5
165.05396	5.0
165.09062	7.9
165.12790	11.1
167.07039	80.5
167.10698	17.8
169.08630	56.0
169.12193	11.4
171.11774	20.0
175.11180	26.8
177.05518	8.3
181.04994	9.3
181.08659	14.7
181.12206	15.5
189.12708	18.2
191.10707	35.1
193.08554	12.7
193.12267	20.0
194.09004	5.3
199.11198	15.9
205.04852	6.0
206.65643	5.3
207.13757	8.2
209.11699	34.4
211.13268	30.8
217.12238	60.0
227.12762	79.0
229.14343	13.2
235.13297	79.0
236.13644	7.3
237.11147	5.4
253.14326	100.0
269.13919	7.4
271.15601	11.6
347.11264	67.4
353.15897	32.5
371.16980	15.4
379.17508	12.1
397.18652	20.2
424.23447	6.8
604.20593	15.8
604.30017	91.3
605.30505	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	604.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
69.23306	18.9
69.23737	21.0
81.03445	7.0
83.50117	4.3
85.02937	6.3
87.04468	100.0
93.07041	6.6
95.08578	7.2
97.06480	4.8
115.99089	4.7
118.88286	5.4
119.08554	5.0
123.04416	8.2
131.04973	6.4
135.04393	26.2
137.05988	18.8
151.07617	5.5
153.01804	19.7
153.05446	11.8
163.07492	5.2
166.29941	4.8
167.07048	8.8
181.05002	8.8
227.12743	9.2
237.02966	5.2
327.12103	6.0
359.14920	22.4
388.49210	5.0
442.15668	7.9
604.20258	40.7
605.21741	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	604.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.2
55.01853	0.1
55.05504	0.2
65.03947	0.2
67.05503	0.3
69.03423	0.2
69.07058	0.2
74.17612	0.1
78.04707	0.2
79.05478	0.7
81.03403	0.4
81.07046	0.4
83.04964	0.2
85.02882	0.2
89.03918	0.2
90.04719	0.2
91.05475	1.3
93.03407	0.1
93.07035	0.4
94.04098	0.1
95.04971	0.8
95.08614	0.3
97.02871	0.2
98.23344	0.3
98.97556	0.2
100.17397	0.1
100.19628	0.1
105.03352	0.1
105.07030	0.4
106.04167	0.5
107.04932	0.9
107.08587	0.5
108.05715	0.3
109.02864	0.2
109.06521	0.6
111.04449	0.1
119.08553	0.2
120.05732	0.3
121.02841	0.1
121.06509	0.4
121.10135	0.3
122.03617	0.2
123.04433	1.2
123.08089	0.2
127.03867	0.2
131.04922	0.1
131.08554	0.1
133.10110	0.2
135.04414	0.2
135.11624	0.1
136.05127	0.3
137.05975	3.3
138.06773	1.7
140.65938	0.1
143.08537	0.1
145.10127	0.3
148.05182	11.2
149.05727	0.5
149.09584	0.2
151.03896	1.3
151.07507	0.2
153.01884	0.1
153.05426	0.2
161.13341	0.2
163.11163	0.4
165.05482	0.5
165.99377	0.2
166.06241	0.6
167.07060	0.1
169.08607	0.4
177.09209	0.1
181.08589	100.0
182.08931	3.8
185.12656	0.1
191.10591	0.2
209.11729	0.2
224.03564	0.1
227.12794	0.4
343.71344	0.1
377.39999	0.1
383.11536	0.2
386.10251	0.2
401.12790	0.6
436.06714	0.1
545.17065	0.4
583.06879	0.1
604.24390	0.3
605.24957	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27546	4.5
51.06665	3.4
55.01868	9.6
55.05515	5.8
63.74617	3.7
67.05509	10.4
69.03439	19.4
69.07068	12.6
69.12088	34.1
71.05002	5.6
79.05495	15.4
81.03419	28.1
81.07055	26.3
83.04991	4.8
85.02911	16.3
85.06567	9.6
87.04484	29.1
91.05479	15.1
92.76118	3.7
93.07043	37.6
95.04967	9.2
95.08594	24.5
97.02901	14.8
97.06551	7.8
99.04431	11.2
105.07021	35.4
105.98743	3.9
107.04965	12.5
107.08591	43.6
109.02866	24.3
109.06538	11.7
109.10148	7.6
111.08080	12.4
113.06004	6.3
114.30054	4.2
117.06985	4.4
119.08601	13.4
121.06523	16.7
121.10168	24.4
123.04430	5.9
123.08086	5.3
123.11686	5.0
125.05934	3.7
127.03915	28.9
130.34985	4.1
131.08553	7.3
133.06506	15.4
133.10121	7.5
135.04401	4.0
135.08105	6.0
135.11668	9.3
137.05991	34.3
137.09703	6.0
139.03961	3.9
139.07558	4.4
139.11217	11.2
143.08585	5.2
145.10175	21.1
147.11685	9.1
149.05952	5.1
149.09642	10.7
151.03917	8.2
151.07567	7.8
151.11186	5.3
153.01836	100.0
153.05513	5.2
154.02171	5.4
163.03809	3.9
163.11169	43.0
165.09123	15.8
167.10686	16.6
169.08609	47.7
169.12267	4.9
170.08899	4.8
171.02910	18.8
173.09700	5.2
175.07626	4.7
175.11284	4.6
181.08640	15.1
181.12228	13.9
183.10220	8.1
190.05087	5.8
191.10681	23.2
198.24419	4.0
209.11703	25.7
217.12189	7.3
227.12770	77.1
235.13292	9.2
236.03761	9.0
253.14348	9.3
257.13779	17.9
269.13950	5.7
297.06039	4.9
315.07123	16.5
353.15854	20.3
362.84805	4.1
368.08218	5.5
371.17157	11.8
492.90192	4.3
604.31238	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	605.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.5
64.67167	0.4
69.03977	2.7
69.04405	2.0
70.32721	0.5
80.66331	0.4
86.59203	0.5
93.28990	0.5
98.22527	1.0
105.20423	0.4
107.04972	0.5
112.85017	0.5
123.04410	1.4
137.05986	0.5
147.21358	0.5
151.62207	0.4
163.03970	1.0
167.07048	0.9
191.48051	0.5
205.04993	0.5
217.20877	0.4
238.96265	0.5
261.90894	0.5
305.27545	0.5
363.08011	0.5
393.09442	2.6
394.09421	0.5
408.11777	6.7
409.12238	1.9
575.18823	0.9
596.65045	0.6
605.19861	100.0
606.20197	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	605.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
60.65497	0.6
69.65951	2.7
81.07034	0.7
95.08585	0.9
98.22632	0.8
100.11253	1.0
123.04450	0.7
133.10078	0.7
149.02315	0.7
173.02220	0.7
177.05345	0.6
184.43732	0.5
189.05251	2.7
210.14874	0.7
229.08401	0.7
236.74121	0.6
393.09473	2.2
401.12949	0.7
408.11731	5.4
409.12515	1.2
410.13474	2.0
421.12698	0.6
575.18921	1.2
587.24689	1.7
605.19806	100.0
606.20276	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	605.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.6
60.91410	0.4
69.55122	2.3
76.04047	0.4
79.05515	0.8
81.07054	0.6
82.60283	0.4
91.05489	1.5
95.04942	0.4
95.39806	0.3
107.04990	0.7
109.06509	2.0
110.07767	0.4
123.04488	0.9
126.34547	0.4
131.04913	0.4
133.02856	0.8
135.04396	0.5
137.05968	5.0
139.03963	0.7
151.03964	1.0
153.01796	0.6
165.05537	2.3
165.06772	0.5
167.07050	1.7
176.26433	0.5
178.02371	0.4
181.05013	0.6
185.04265	1.7
189.05217	7.9
190.05742	0.7
197.08130	4.1
202.06021	0.9
203.06871	1.4
216.07541	2.2
217.04787	1.4
217.08368	3.8
232.07056	15.1
233.07848	2.6
245.07884	3.5
303.13239	1.1
325.08960	0.5
331.11746	3.5
346.09122	0.5
365.12082	6.8
366.12335	0.6
377.02115	0.6
379.13614	20.6
380.13968	1.4
395.13086	3.0
427.13913	0.7
442.16010	1.3
443.16745	7.2
468.78671	0.4
482.09381	0.5
503.90436	0.5
530.17627	0.6
545.18610	0.8
574.20551	1.1
575.20868	1.3
605.21973	100.0
606.22308	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	605.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63492	0.3
53.45086	0.4
56.75328	0.4
61.11535	0.4
63.64311	0.4
70.70950	1.0
75.30347	0.4
81.03348	0.4
91.05432	0.5
102.55618	0.4
109.06523	0.6
123.04388	0.6
137.06007	2.0
139.03940	0.6
151.03903	0.9
153.01817	0.5
165.05467	1.3
167.07011	1.2
181.05000	0.5
185.04208	1.8
189.05219	7.5
197.08087	2.1
202.06079	0.5
203.06856	1.1
204.76869	0.4
216.07602	2.5
217.04767	1.3
217.08400	3.3
219.06305	0.4
232.04730	0.7
232.07037	13.6
233.07784	2.2
245.07866	3.0
287.05551	1.1
315.13367	0.5
321.51926	0.4
331.11697	1.2
365.12073	6.6
379.13565	16.5
380.14102	1.1
395.13211	2.6
413.15417	0.5
427.13510	0.6
442.16016	1.0
443.16757	6.7
460.75415	0.4
545.19214	0.5
574.20471	1.1
575.20856	0.6
605.21936	100.0
606.22308	10.9
618.00861	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07924	0.8
53.60374	0.9
55.05507	1.7
59.85735	0.8
67.05508	3.2
68.90492	0.8
69.07073	2.5
69.94527	1.0
70.44112	0.9
71.33704	1.3
79.05490	1.3
81.07053	3.6
83.08598	1.3
91.05450	2.3
93.07047	2.5
95.04954	1.1
95.08589	4.6
99.08123	1.0
105.07041	2.8
105.83344	0.9
106.27782	0.9
107.04929	1.4
107.08589	1.8
109.10146	1.4
117.71003	0.8
119.08598	1.5
121.10191	1.5
129.29422	0.9
130.48892	0.8
133.10144	1.6
135.11700	1.9
145.10068	1.2
147.11658	1.2
163.03928	2.4
173.13196	1.1
175.14825	1.1
176.04472	1.9
176.37486	0.8
241.08585	1.4
266.92236	0.9
376.56866	1.0
395.14645	12.1
407.32632	1.0
410.17053	5.6
411.17795	2.1
425.67044	1.0
605.27112	100.0
605.35364	3.6
606.27368	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	605.4411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.4
55.01871	5.0
55.05511	21.4
57.03435	1.8
57.07069	2.1
59.04967	1.1
61.72953	0.7
65.03952	1.8
67.05505	30.4
67.05872	1.5
68.05847	0.9
69.03429	2.5
69.07066	8.8
71.04988	2.6
71.08632	18.7
72.02891	0.7
79.05489	33.1
81.03414	4.9
81.07053	37.0
82.42496	0.7
83.04981	8.1
83.08620	13.8
85.02892	1.7
85.06539	1.8
85.10204	0.9
90.16037	0.7
91.05479	19.7
93.07043	36.6
94.07349	1.2
95.04970	39.3
95.08604	26.1
96.08955	0.7
97.06529	5.2
97.10165	12.7
99.08085	13.3
105.07025	15.4
105.41363	0.8
107.04942	7.9
107.08591	25.4
108.08881	0.9
109.06522	4.3
109.10159	8.4
111.04456	2.1
111.08076	6.7
113.09585	3.7
117.07022	5.5
119.08572	13.3
121.06509	2.7
121.10135	21.8
123.08054	2.7
123.11679	2.1
125.09634	9.2
129.06993	2.0
131.08545	5.8
133.10139	9.5
135.08069	3.0
135.11687	24.6
137.09612	3.4
139.11154	1.1
141.09122	2.8
143.08559	1.8
145.10126	9.3
147.08051	2.6
147.11626	4.8
149.09604	8.0
149.13266	6.6
151.11176	8.5
153.09116	11.6
153.12741	1.3
157.10115	1.1
159.11674	4.4
161.09583	1.7
161.13219	6.6
163.11174	16.4
163.14772	1.5
164.11586	1.0
165.12752	2.9
167.10669	3.0
169.10071	1.4
171.10161	1.3
171.11696	1.8
173.13216	1.2
175.14828	1.1
177.12791	4.2
179.14299	77.5
180.14598	2.4
181.12273	1.9
185.13284	1.7
187.11250	1.8
187.66496	0.7
189.11212	12.2
189.12759	1.9
191.10597	1.0
193.12215	1.7
195.13809	1.8
199.14847	1.1
205.12228	2.3
211.13188	1.3
219.13863	0.9
221.15463	1.8
223.13268	15.8
224.13728	0.9
229.19446	1.0
231.17380	0.9
231.21178	0.9
235.16910	3.3
241.19501	1.2
247.20644	2.1
257.18951	2.7
259.20627	3.4
265.21915	0.9
275.20087	17.2
276.20416	1.4
277.21619	52.0
278.21951	3.9
293.21088	100.0
294.21387	6.0
295.22647	2.1
311.22052	2.0
313.27148	1.0
349.23642	0.8
453.33316	1.3
471.34769	1.0
551.01465	0.8
605.40344	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	605.4412
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56254	3.6
53.03955	4.3
55.01864	4.7
55.05507	16.3
57.07053	11.2
61.62355	3.4
67.05502	100.0
69.07059	15.4
69.19279	12.1
69.19714	14.5
79.05497	33.0
80.90177	3.2
81.07053	38.8
83.04974	5.6
83.08618	9.6
85.06535	28.3
91.05466	36.4
93.03365	3.7
93.07033	30.1
95.04974	12.5
95.08587	29.1
97.06496	6.0
97.10142	5.1
101.06013	5.7
105.07033	34.6
107.04912	4.3
107.08595	24.2
109.06543	5.9
109.10173	16.9
111.04419	3.8
111.08111	3.8
113.06007	24.6
115.05421	4.5
117.07003	15.1
119.08590	23.6
121.10146	20.3
123.07222	3.3
123.08057	4.7
125.09547	7.0
129.05466	7.1
129.07007	14.6
130.93254	3.3
131.07031	9.5
131.08548	27.2
133.10133	17.9
135.11699	13.6
137.09578	3.7
141.06989	6.6
143.08540	10.1
145.10129	21.0
147.04430	6.3
147.06511	4.0
147.11650	16.5
149.09586	4.3
149.13310	4.0
150.28596	3.6
155.08551	10.6
157.10117	9.7
159.11670	7.9
161.13235	12.0
163.03908	6.5
163.11157	5.9
163.14740	5.5
167.08447	4.2
168.09143	3.6
169.10112	7.2
171.11676	12.4
173.13229	13.1
175.11128	3.8
175.14951	3.8
183.11765	4.4
185.13272	3.5
187.14777	6.3
197.13271	8.4
199.14841	3.8
215.14282	9.0
227.17873	5.2
233.15399	3.6
237.16360	7.9
239.17949	4.2
255.17421	11.6
261.22028	5.5
273.18542	9.1
295.42831	3.8
348.80496	3.8
361.93753	3.4
511.38000	3.9
605.39148	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	606.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22590	0.2
55.05512	1.6
56.15607	0.2
57.01304	0.2
57.03437	1.6
57.07076	13.3
58.07395	0.3
61.02922	0.6
65.03939	0.8
67.05492	0.6
69.03423	2.6
69.07056	0.5
70.47654	0.7
71.04996	0.5
73.02910	2.2
73.06540	0.8
78.91508	0.2
79.05489	0.8
81.03391	0.8
81.07044	0.9
85.02911	2.6
85.06541	0.3
87.04465	0.6
89.06016	0.3
91.05499	0.5
91.07638	0.3
93.07044	0.9
95.04975	0.4
95.08601	1.0
97.02891	2.5
97.06528	0.3
98.22624	0.2
103.05455	0.2
105.07015	1.0
107.04955	0.2
107.08600	0.6
109.02940	0.3
109.10139	0.5
111.04456	0.4
114.46522	0.3
115.03928	1.3
115.05482	0.3
119.08617	0.5
121.02862	2.3
121.03748	0.3
121.04009	0.3
121.10138	0.8
123.04413	0.3
127.03895	0.8
133.04959	0.8
133.10092	0.7
135.04332	0.3
135.07965	0.2
135.11708	0.6
137.05965	1.0
137.09628	0.6
145.04956	0.5
145.10167	0.4
146.41629	0.2
147.11662	0.5
149.02339	100.0
150.02672	2.4
151.03908	0.3
151.07582	0.4
151.11172	0.4
153.05388	0.2
157.10164	0.3
159.11653	0.4
160.73969	0.2
161.09615	0.3
161.13339	0.3
167.03418	0.8
167.07103	0.3
173.13287	0.4
190.04991	0.3
191.14267	0.3
205.08603	18.8
206.08943	0.6
209.15337	0.4
221.08086	2.8
223.09584	0.4
227.12799	0.3
233.08066	0.2
277.14355	13.8
278.14694	0.8
286.60812	0.2
295.15350	2.7
311.09128	0.3
312.09399	0.4
324.09344	0.3
352.12631	0.5
426.12631	0.5
443.13315	0.3
444.13547	0.5
606.26953	0.5
607.28040	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.8
54.81693	1.9
55.01867	9.4
55.05511	76.1
56.05841	2.6
57.03430	2.8
67.05505	30.0
67.58064	2.1
69.03438	6.1
69.07072	20.1
71.10361	4.6
77.09055	1.9
79.05496	25.3
81.07048	21.1
83.04968	3.4
83.08617	100.0
85.63596	1.9
91.05477	7.0
93.07043	14.4
95.08597	10.8
97.06509	3.6
97.10168	83.8
98.10520	4.2
105.07034	4.0
107.08594	24.7
109.10136	4.4
111.08070	24.8
117.07011	3.9
121.06492	3.8
122.14658	1.9
123.11762	2.2
125.09629	76.9
126.09949	2.2
129.09145	2.4
133.10153	2.1
135.08060	8.2
139.07547	15.2
143.10654	3.7
147.11761	2.6
153.09117	19.4
157.08632	14.7
169.92714	2.1
171.10175	5.2
175.09680	23.6
182.15266	2.6
189.11211	41.6
213.11232	46.8
227.12775	94.1
228.13080	4.3
230.24763	4.5
231.12289	6.0
245.13875	9.7
284.77954	2.2
321.23550	1.9
365.19617	6.3
379.21109	4.9
383.16040	4.0
383.20639	49.1
383.25626	2.7
397.22131	27.6
398.22330	2.9
401.21664	67.8
402.21933	4.6
415.23215	31.3
416.23642	3.7
428.91571	2.3
501.08160	2.3
535.29169	17.7
553.29932	35.7
554.30194	2.7
571.30988	32.8
572.31586	3.6
606.33563	16.4
607.34381	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	607.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62681	0.5
67.65813	0.5
69.37582	4.0
74.16761	0.5
104.25782	0.5
108.03709	0.6
135.18724	0.6
169.87447	0.5
204.41476	0.7
243.06596	1.7
245.69946	0.5
445.16281	1.2
607.21478	100.0
608.21826	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	607.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
69.35022	0.3
69.70351	1.2
69.70757	0.5
113.02186	0.2
119.85364	0.3
151.99156	0.3
154.85721	0.3
177.09120	0.3
181.44086	0.3
185.04214	1.8
189.05211	8.6
189.06866	0.5
201.05212	0.3
202.06046	0.5
203.06821	0.8
205.08507	0.3
207.06339	0.3
216.07547	2.2
217.08328	2.9
219.06236	2.5
232.07127	0.4
233.07814	4.4
234.08606	15.0
235.09253	1.2
247.09431	3.3
326.97620	0.3
365.12045	6.3
366.12387	0.5
375.40564	0.3
379.13586	17.4
380.13641	1.3
395.13089	2.8
415.17224	0.7
429.14734	0.3
444.17499	0.7
445.18292	7.9
445.24088	0.5
446.18665	0.4
476.11484	0.3
577.22424	1.0
607.23541	100.0
608.23907	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	607.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83636	0.4
70.76343	1.0
73.64929	0.3
82.70569	0.4
111.14841	0.4
123.04393	0.4
137.06020	0.7
152.63683	0.3
153.01862	0.5
176.04504	1.4
185.04266	0.9
189.05223	16.1
190.05563	0.5
196.61969	0.3
203.06821	0.8
205.04712	11.3
216.07552	3.5
217.08301	2.4
218.05508	0.4
219.06239	0.9
231.09927	0.8
232.07239	0.4
233.07841	7.4
234.08603	14.2
235.09204	1.2
263.42953	0.4
337.08969	0.4
348.11896	0.5
355.32281	0.3
365.12244	0.7
379.13605	14.4
380.14090	0.7
381.11630	1.7
395.13028	2.7
445.18326	7.3
446.19159	0.5
577.22485	1.1
607.23553	100.0
608.23907	10.0
627.25806	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.4
55.05514	1.6
57.07065	0.4
59.05019	0.4
61.62922	0.3
67.05505	4.5
69.03434	0.4
69.07064	1.4
71.04977	0.5
79.05495	2.7
81.03430	1.1
81.07052	4.5
83.04943	0.5
83.08629	0.9
85.06567	0.5
91.05489	2.0
93.07043	2.2
95.04958	0.6
95.08617	2.5
97.02911	0.6
97.10156	0.9
98.23370	0.7
105.07039	1.4
107.08604	1.8
109.10139	2.4
111.08063	0.4
117.07056	0.9
119.08577	1.3
121.10130	1.8
123.11703	0.7
125.05987	0.6
125.09641	0.8
129.05492	0.3
131.08578	0.8
133.10161	1.2
135.11707	1.1
137.09621	0.4
145.10152	0.9
147.11671	0.6
149.09622	0.5
149.13167	0.5
153.05484	1.3
153.09129	0.6
154.06224	0.5
157.10106	0.4
159.11693	0.8
160.89343	0.3
161.13257	0.6
171.11746	0.4
173.11795	0.4
173.13295	0.4
185.08099	2.9
189.11217	0.7
197.08151	0.5
229.32327	0.3
261.22223	0.7
269.11737	0.3
275.09329	0.6
279.23245	1.3
324.15356	0.3
338.12726	0.4
370.15625	0.3
373.15128	0.5
374.15594	0.6
375.15829	0.8
376.17099	0.4
387.16165	0.6
388.16699	1.3
389.17657	2.9
390.18396	1.2
391.18918	1.4
401.18192	0.7
402.14154	0.5
402.18573	0.9
403.19424	4.6
404.20117	2.2
405.20755	4.1
406.20996	0.6
407.22754	0.4
416.16373	1.3
417.16257	5.3
417.21249	2.1
418.17648	1.4
418.21643	1.2
419.22467	6.6
420.22986	1.2
429.16629	0.4
429.21750	0.3
430.17413	0.6
431.18246	8.3
431.23618	0.4
431.31595	1.1
432.18933	3.6
433.20227	4.9
434.20758	0.4
435.21710	0.5
443.18338	0.4
444.19659	0.5
445.20108	5.5
446.20996	9.4
447.21652	11.0
448.22092	1.1
459.22870	2.0
460.18433	0.8
460.23300	0.4
461.19760	1.4
462.24625	0.8
463.24930	1.1
473.18750	0.5
473.23676	1.2
474.20407	6.4
475.21014	7.2
476.21588	0.7
477.22943	0.8
478.23389	0.9
487.21133	1.9
488.22092	0.7
490.23645	0.8
491.19968	3.6
501.22836	1.3
503.24014	0.4
504.21854	0.4
505.22214	1.0
506.23251	0.6
519.24023	19.0
520.24384	2.2
532.21173	0.5
533.21283	0.5
547.23370	14.4
548.23737	2.8
551.26788	0.7
561.24585	0.4
571.43524	0.5
579.25977	6.4
580.26074	0.7
589.23492	0.3
607.25439	100.0
608.15771	0.7
608.25732	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	607.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14958	0.6
55.05503	1.3
67.05481	2.1
69.07055	1.2
79.05483	1.8
81.07037	2.7
83.08625	0.7
84.93313	0.6
91.05464	1.7
93.07052	1.5
93.11949	0.7
94.65788	0.7
95.05000	0.8
95.08590	2.6
97.06554	0.7
97.10201	0.7
105.07027	1.5
107.04926	0.7
107.08578	1.4
109.10162	1.4
117.07007	0.7
118.28120	0.7
119.04883	0.7
119.08606	1.8
121.10159	1.8
123.08083	0.8
124.80981	0.6
133.10135	1.5
135.11700	1.1
147.04413	0.9
147.11673	1.0
159.11691	0.7
163.03911	1.3
187.14746	0.8
189.05209	51.3
190.05714	3.1
207.06300	0.6
264.95792	0.7
274.12567	0.7
291.26898	0.7
295.33655	0.7
397.16327	2.8
412.18472	6.6
412.49393	0.7
413.19110	3.2
607.28638	100.0
607.36487	4.6
608.28900	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	607.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.3
55.01854	0.3
55.05492	0.6
57.07062	0.2
59.78162	0.1
65.03929	0.5
67.05505	1.2
69.07063	0.6
71.32130	0.3
72.96819	0.2
76.36112	0.1
79.05492	1.2
81.03413	1.4
81.07055	1.2
83.04919	0.2
83.08588	0.3
91.05470	1.1
93.03410	0.3
93.07035	0.7
95.04964	0.7
95.08605	0.8
97.06503	0.2
105.07023	0.7
107.08595	0.8
109.10163	0.6
117.07022	0.2
119.08617	0.7
121.02859	3.5
121.06451	0.3
121.10132	0.6
123.08071	0.2
123.11663	0.2
131.08543	0.4
133.06482	3.0
133.10104	0.4
135.04420	2.6
135.08040	0.4
135.11682	0.2
139.03874	0.4
143.08577	0.2
145.10135	0.5
147.04434	0.2
147.11673	0.2
149.01193	0.3
149.02338	2.7
149.13350	0.2
151.03914	0.3
155.08553	0.2
155.17317	0.1
157.10152	0.2
159.04471	0.2
159.08017	0.2
159.11726	0.3
161.09705	0.2
161.13194	0.2
167.03413	0.5
169.04951	0.5
169.06345	0.2
175.07358	0.2
179.03392	8.2
197.04457	3.1
197.09573	0.2
207.08051	0.2
212.47720	0.2
225.09064	0.6
237.14822	0.2
238.06271	0.9
240.07884	0.2
253.08525	0.4
256.07208	0.2
266.05734	2.1
267.06326	0.2
268.07315	1.8
269.08032	0.6
277.21640	0.2
279.23083	0.2
281.08087	16.6
282.08328	0.9
283.09723	0.4
284.06876	0.2
295.05960	0.6
296.06790	3.0
297.07397	0.3
299.09070	2.1
311.09113	100.0
312.09454	6.3
335.09396	0.2
371.14648	0.2
401.13788	0.4
419.14798	0.2
525.26276	0.2
533.24762	0.2
553.25580	0.7
561.28619	0.4
571.26923	1.7
572.27356	0.4
589.27948	12.4
590.28223	1.7
607.29547	2.7
607.45801	4.8
608.29456	0.4
608.45398	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2909
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
55.05511	0.4
57.41676	0.2
67.05516	0.5
69.07063	0.2
69.31256	1.5
69.54555	0.2
70.19314	0.2
71.08630	0.2
79.05480	0.5
81.07066	0.3
93.07008	0.2
94.22784	0.2
95.08616	0.5
99.23722	0.2
110.67224	0.2
149.82732	0.2
207.09219	0.2
222.96011	0.2
224.12914	0.2
286.13013	0.2
313.27240	0.2
387.16025	0.4
388.16736	0.5
389.17499	1.4
390.18457	0.6
401.17712	0.8
402.18237	1.4
403.19138	3.6
404.19748	1.7
405.16974	0.2
405.20865	2.1
406.21457	0.4
415.19336	0.6
416.20334	1.4
417.16809	1.1
417.21344	4.1
418.16501	0.4
418.21832	2.5
419.22281	4.1
420.23022	0.4
429.16702	0.5
430.16882	1.2
430.22433	0.4
431.18109	8.1
432.18594	2.4
433.24100	7.1
434.24606	1.7
444.19501	0.7
444.24237	0.3
445.19702	9.9
446.20599	4.8
447.21637	5.0
457.20377	0.3
458.21078	0.5
459.21527	4.4
460.22473	8.8
461.23236	10.2
462.24759	1.0
473.23727	2.8
474.24542	1.0
476.22333	0.3
477.22906	0.6
487.25089	0.9
488.26233	0.4
489.22919	0.6
491.24738	0.6
492.25650	0.4
504.24835	0.2
505.21820	2.7
506.27524	0.5
515.24615	0.4
517.21875	0.2
518.22620	0.4
519.24310	1.6
532.24518	0.7
533.25421	0.6
547.26984	21.1
548.27557	2.5
575.26379	0.5
579.30048	0.4
607.29071	100.0
608.29413	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	607.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85339	0.3
59.82891	0.3
89.10675	0.4
108.55626	0.4
144.02089	0.4
144.03136	0.5
187.84035	0.3
193.40024	0.4
196.58295	0.4
207.09114	0.5
228.83887	0.4
233.10858	0.4
389.17447	1.0
390.18210	0.4
401.17856	0.5
402.18283	0.6
403.19162	4.1
404.19778	1.0
405.20883	2.0
415.19263	0.5
416.20087	1.1
417.21280	3.8
418.21576	2.5
419.22318	2.9
420.22998	0.9
429.21091	0.5
430.17218	0.6
430.22223	0.5
431.18228	9.0
432.18381	2.3
433.24036	9.6
434.24631	2.0
444.23816	0.5
445.19824	9.3
446.20447	5.6
447.21497	4.3
458.20667	0.5
459.21399	4.6
460.15933	0.8
460.22430	15.3
461.23273	17.6
462.23654	1.7
473.23712	4.1
474.23941	1.8
477.22827	1.0
487.24826	2.1
488.25873	0.8
489.23190	0.6
491.25009	0.6
492.25107	0.8
505.21414	2.0
506.26932	0.8
515.24731	0.9
519.28528	2.8
532.24353	1.1
547.27026	53.5
548.27332	7.7
564.27374	0.4
575.26208	1.0
579.29895	0.8
607.29120	100.0
608.29486	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	609.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	0.3
55.01867	0.3
56.56837	0.2
65.03941	0.6
68.99787	1.5
69.03404	0.4
69.04836	2.1
73.04752	0.4
78.32620	0.2
79.01813	0.4
81.03399	0.8
91.05801	0.4
95.04943	0.3
96.61418	0.3
97.02869	0.4
105.03367	0.3
109.02881	0.9
111.00782	1.3
111.04449	0.5
119.04895	0.3
121.02854	1.1
123.04409	2.3
126.16540	0.3
127.03911	6.3
131.04938	0.4
133.02869	0.5
135.04413	0.6
137.02348	0.5
137.05989	1.1
139.03888	17.6
140.04138	0.3
140.46985	0.2
143.03381	0.5
145.06445	0.6
147.04407	0.7
149.02327	2.2
150.03159	0.6
151.03893	4.9
153.01810	9.0
153.02959	0.4
153.05450	0.4
155.03384	1.4
155.04575	0.2
159.04393	0.9
161.06056	0.5
163.03903	2.6
165.01857	0.6
165.05524	0.3
167.03387	0.4
171.04478	0.4
173.05971	0.5
173.98364	0.3
175.03870	1.4
177.05455	1.8
179.03375	6.5
180.03755	0.4
182.34435	0.2
183.04462	0.6
185.05981	0.3
187.03914	0.7
189.05453	0.9
191.03444	1.6
193.04935	0.7
197.05939	0.2
199.03957	0.5
201.05524	1.5
203.03319	1.6
205.04950	1.8
213.05458	0.9
215.03433	1.2
216.04120	0.3
217.04939	0.8
219.02954	1.6
219.06586	0.3
227.03293	0.7
229.04987	2.8
231.06410	0.4
233.04449	0.5
237.03897	0.3
239.09494	0.3
241.04921	0.7
243.02872	0.5
243.06575	0.4
245.04436	5.5
246.04851	0.3
247.05902	1.4
253.04893	0.4
255.02875	0.3
257.04443	3.4
258.05090	0.6
259.06058	0.5
261.03955	1.5
263.05457	2.2
269.04385	0.5
271.05927	1.0
273.03906	1.5
275.05466	2.6
275.55457	0.2
277.06921	0.3
285.03915	1.6
287.05469	5.0
289.07050	0.6
297.03882	0.6
299.05542	1.7
303.04959	100.0
304.05325	6.3
305.06491	1.2
315.04910	3.4
317.06732	0.4
327.04889	1.2
339.04932	0.3
355.06775	0.5
377.06729	0.3
395.07455	0.3
405.06229	0.6
407.07602	0.2
423.07016	2.7
424.07419	0.4
425.08463	0.4
435.06985	1.5
441.08151	13.3
442.08548	1.3
453.08224	2.6
465.08118	0.7
483.08942	0.3
509.02542	0.3
573.09741	0.4
591.10876	0.7
609.21362	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.2
53.64037	0.2
55.01877	0.2
67.05509	0.4
69.03407	0.2
71.32896	0.3
73.04758	0.4
79.05525	0.3
81.03394	0.2
81.07044	0.2
81.37692	0.2
91.05801	0.5
95.04977	0.2
99.04416	0.2
105.07040	0.2
109.02916	0.2
109.10162	1.2
123.04397	0.2
127.03893	0.2
137.05975	0.3
137.09619	2.0
139.03902	0.4
140.09311	0.2
155.10628	0.3
163.07597	0.4
165.09106	1.6
167.05550	0.2
177.05347	0.2
179.03358	0.2
189.05302	0.4
191.07059	0.6
201.11176	0.3
219.06337	0.5
234.08542	1.3
239.09474	0.3
263.77863	0.2
268.97687	0.2
285.00992	0.3
289.98322	0.2
299.06177	0.2
309.13251	0.4
315.08823	0.4
349.10486	0.2
355.06976	0.6
363.12039	1.1
364.12601	0.2
367.11444	1.2
379.11392	1.5
381.12799	0.9
382.13776	1.9
383.14688	0.7
393.12949	0.3
394.13824	2.3
395.14429	0.3
397.12506	4.5
398.13071	0.4
411.14505	0.7
412.14868	7.4
413.15518	1.8
425.15686	0.3
561.20667	0.4
579.21997	1.1
580.21979	0.2
584.71051	0.2
609.22913	100.0
610.23352	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	609.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01576	0.7
50.58897	0.4
51.02371	0.9
53.03943	3.5
55.01854	0.4
55.05514	2.8
57.07074	9.4
59.04990	0.5
60.49045	0.5
65.03922	1.5
65.07828	0.5
67.05509	3.9
69.03435	1.2
69.07059	3.9
73.04750	1.9
73.43960	0.4
77.03932	0.8
79.05492	25.0
81.03381	0.9
81.07059	4.6
83.01344	0.9
83.04980	0.5
85.06543	10.1
91.05447	15.7
92.05833	0.6
93.07045	48.8
94.07368	1.1
95.04974	4.8
95.08598	2.3
97.06523	1.1
99.04496	0.5
105.04501	1.2
105.07030	5.6
107.04954	1.0
107.08592	36.2
108.08945	0.8
109.06516	2.2
109.10155	1.5
111.08054	0.7
119.06053	0.9
119.08569	2.1
121.06527	0.9
121.10158	3.3
123.04439	1.0
123.08080	0.8
123.11676	0.7
125.05970	0.7
125.09588	0.7
127.07545	1.9
131.08537	1.0
133.10112	1.8
134.10521	0.5
135.08054	0.9
135.11690	32.5
136.12042	0.8
137.05984	7.1
137.09605	0.9
139.03918	0.5
139.11163	1.3
141.05461	5.7
142.13446	0.5
143.08665	0.4
145.10114	1.3
149.09613	2.2
151.07593	0.7
151.11192	0.9
153.05470	27.0
153.12790	1.0
154.05772	1.1
161.09624	0.7
161.13245	0.4
163.07541	0.9
163.11180	0.8
163.14838	0.5
164.11981	0.6
165.05481	6.6
165.09146	1.3
167.03467	0.9
167.05580	1.2
167.07053	1.3
167.10661	1.7
169.04965	18.9
169.41605	0.4
170.05214	0.6
177.05463	1.4
177.09065	1.5
179.07103	1.1
179.10648	2.6
181.12146	0.7
183.06488	1.0
189.09088	0.9
191.07077	0.6
191.10730	0.6
195.10202	1.8
195.11934	0.5
205.08586	2.5
207.10168	11.7
208.10503	0.9
209.11716	0.7
217.08594	0.7
219.10130	5.2
221.11739	1.4
223.09607	4.7
223.16945	0.5
225.11211	100.0
226.11562	4.0
228.92969	0.8
237.11211	9.8
239.09526	1.6
251.12703	0.5
251.16435	10.7
252.16919	0.8
259.13260	1.0
268.97858	0.8
271.13370	0.6
275.16394	21.3
275.19403	0.7
276.16647	1.1
285.00970	1.2
289.14297	0.6
291.15933	0.7
293.17468	5.0
299.06143	0.9
303.15610	0.9
327.53543	0.5
341.17377	0.6
341.21176	1.3
343.22375	0.5
355.06976	3.9
359.22177	7.8
403.21259	0.7
427.28452	1.3
457.25867	8.6
458.25925	1.2
473.25198	1.3
475.26724	1.7
525.32434	1.0
547.35229	0.5
609.29584	1.3
609.37823	12.4
609.47278	0.6
610.38055	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	1.7
52.76020	0.5
53.03950	4.2
55.05505	2.6
57.07076	9.9
59.05003	0.9
65.03925	1.9
67.05498	4.2
69.03432	0.7
69.07087	3.4
69.29170	3.0
73.04755	0.6
77.03921	1.2
79.05492	25.9
80.05781	0.6
81.03409	0.6
81.07062	4.6
83.01339	1.3
83.04977	0.5
85.06541	8.5
91.05465	17.7
93.07044	50.4
94.07360	1.6
95.04969	6.4
95.08599	1.7
97.06536	1.4
105.04485	2.7
105.07025	6.1
107.04945	0.8
107.08592	36.8
108.08927	1.3
109.06498	3.2
109.10172	1.1
111.08084	1.0
117.07037	0.7
119.06065	0.8
119.08575	2.0
121.06513	0.8
121.10138	3.4
123.04413	1.2
123.08075	0.8
123.11710	1.4
125.05980	1.5
125.09625	1.1
127.07561	2.5
131.08563	0.8
133.10141	1.6
135.08060	1.1
135.11693	37.2
136.12032	1.6
137.05980	6.7
137.09590	0.8
139.11172	1.1
141.05457	6.2
143.08560	0.7
145.10161	0.9
147.11728	0.6
149.09608	2.3
151.07603	0.7
153.05469	31.7
153.12698	0.9
154.05780	0.6
163.07552	1.3
163.11198	1.0
165.05487	6.5
165.09094	1.7
167.03404	1.3
167.05609	0.5
167.07024	1.1
167.10666	2.0
169.04964	19.3
170.05269	0.5
173.13403	0.7
177.05450	1.5
177.09099	1.4
178.06291	0.8
179.06979	0.8
179.10643	2.4
181.12154	0.6
183.06514	1.1
183.10193	0.9
189.09113	1.6
191.06960	0.7
191.10660	0.5
195.10185	1.4
205.08636	2.7
207.08325	0.9
207.10167	11.9
207.12170	0.6
208.10461	0.6
209.11646	1.0
217.08525	0.9
219.10149	4.9
219.17401	0.7
221.11673	1.8
223.09650	5.0
225.11212	100.0
226.11534	3.6
233.11827	0.6
237.11218	10.8
238.11371	0.6
239.09462	0.8
251.16391	10.1
259.13342	0.7
273.14880	0.5
274.90469	0.4
275.16412	24.6
276.16800	1.2
277.14221	0.7
289.14334	0.6
293.17416	5.1
303.15790	0.9
305.17822	0.5
311.12766	0.8
329.13821	0.5
341.21210	0.9
343.22791	0.9
355.07037	1.1
357.16678	0.5
359.17944	0.7
359.22180	9.8
360.22339	0.7
403.21332	0.9
403.38550	0.4
427.28619	0.9
457.25919	12.4
458.26019	0.9
473.25150	1.6
475.26770	2.1
525.31934	0.8
604.46686	0.5
609.29358	1.3
609.37897	9.2
610.37878	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97031	1.0
55.05494	1.4
60.10755	1.0
61.01135	1.0
67.05514	4.2
67.70860	0.9
69.07076	2.2
69.14262	6.6
69.14680	2.3
73.04754	50.4
75.02709	1.8
79.05511	2.4
81.07054	4.1
83.08581	1.0
84.44363	1.1
91.05797	99.3
93.03726	1.9
93.07053	2.6
95.08623	3.0
105.06984	1.2
107.08597	1.7
109.10168	1.7
114.07371	8.1
135.11711	1.3
149.04497	7.5
167.05553	29.7
168.05690	1.7
190.07129	1.9
203.67764	1.0
221.08498	4.0
225.04324	4.8
227.02304	1.5
239.09491	39.3
240.09637	2.2
251.16464	1.1
266.99905	9.7
268.97849	14.9
279.23160	1.4
281.05127	1.2
283.03067	9.2
284.97763	1.8
285.00949	36.6
286.01080	3.0
299.06158	37.1
300.06168	3.2
303.02069	4.4
344.97629	9.5
355.06970	100.0
356.07068	12.3
359.42282	1.0
371.10071	2.6
373.08115	9.7
374.08084	1.3
400.98560	3.1
402.96289	7.6
415.03677	6.8
416.03900	1.5
418.99500	11.3
419.99704	1.4
489.05237	2.4
565.90259	1.2
580.42438	1.2
610.30194	1.2
620.71021	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17563	1.2
53.03948	1.5
55.01857	2.2
55.05506	2.3
56.79606	1.1
57.03439	1.6
59.41964	1.2
67.05508	3.8
69.03435	5.4
69.07066	7.9
69.10634	3.4
69.11047	7.9
71.05000	3.3
73.02935	1.3
73.04768	1.4
75.00309	1.2
79.05484	14.9
79.07767	1.2
81.03416	3.5
81.07044	7.7
83.04988	14.7
85.02892	8.8
85.06592	1.5
91.05453	10.0
93.07045	13.2
95.04955	6.7
95.08632	4.3
97.02904	4.4
97.06525	16.1
98.22539	2.3
99.04462	5.2
105.07027	20.8
107.04940	9.5
107.08587	12.0
109.06506	6.4
113.06026	2.1
117.06970	5.7
119.04974	1.7
119.08601	5.1
121.06508	16.0
121.10163	2.2
121.48748	1.3
123.08085	2.0
125.05983	29.2
127.03925	1.4
129.07037	1.9
130.07816	1.3
131.08574	5.4
133.06535	6.3
133.10104	2.5
135.08078	3.5
135.11696	3.2
137.05980	3.8
139.07552	5.5
143.07034	31.2
143.08582	2.3
144.09291	1.6
145.04976	3.5
145.06493	2.6
145.08978	2.2
145.10124	41.4
147.11697	4.9
147.43079	1.2
149.24367	1.2
151.07509	8.2
154.07776	2.1
155.07063	1.5
158.07257	2.1
159.08066	3.3
159.11679	12.6
163.11182	100.0
164.11551	4.3
169.10144	5.4
173.09622	33.0
174.09998	1.3
177.12740	2.9
179.08455	1.2
187.11197	24.2
189.12775	3.1
191.10664	17.2
197.09618	3.4
205.12230	23.3
209.11766	5.2
215.10657	25.3
215.12552	1.9
216.11096	1.7
233.11732	83.1
234.12064	3.7
251.12810	22.5
252.13300	1.7
258.52838	1.5
269.13846	18.3
303.04791	1.5
305.28656	1.5
355.06888	2.0
430.21655	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.431
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01589	0.7
51.02378	1.7
53.03944	5.1
55.01874	3.4
55.05511	11.6
57.03432	2.6
57.07072	3.9
59.04974	0.8
65.03946	3.9
67.05502	27.8
69.03426	9.5
69.07066	11.0
71.04992	3.4
71.08616	0.6
71.30683	0.8
71.31091	0.8
73.02903	0.8
73.04743	0.9
77.03918	1.7
78.04638	0.6
79.05489	33.3
80.05819	0.8
80.31693	0.5
81.02964	1.0
81.03419	14.7
81.07054	30.0
83.04974	3.9
83.08613	3.3
85.02905	5.8
85.06531	1.9
91.04868	1.2
91.05017	0.5
91.05465	41.1
93.07038	98.3
94.07352	2.9
94.07892	0.6
95.04965	8.4
95.08598	25.6
96.08929	0.7
97.02888	6.0
97.06520	5.8
97.10182	1.4
99.04453	2.4
99.08100	0.6
102.11134	0.6
103.03918	0.8
103.05464	0.7
105.04511	3.5
105.07022	26.1
106.04145	0.6
106.07359	0.5
107.04972	2.2
107.08587	100.0
108.08908	1.8
109.02859	3.8
109.06531	4.8
109.10146	13.2
111.04430	3.0
111.08076	1.5
111.11691	1.2
113.02239	0.6
113.06026	1.1
113.09655	0.6
115.03923	1.3
117.07004	6.8
119.06056	1.9
119.08569	14.0
121.06509	1.9
121.10127	13.1
122.10416	0.8
123.04379	0.8
123.08070	1.7
123.11678	3.2
125.06038	1.1
125.09645	1.5
127.03892	3.2
128.06227	1.0
129.05487	1.3
129.07004	4.1
131.08568	10.5
131.09482	1.0
133.06470	1.3
133.10136	11.3
134.10487	0.7
135.08076	1.8
135.11685	59.1
136.12025	2.6
137.06032	0.9
137.09578	3.0
137.13254	2.3
139.07515	0.6
139.11165	2.0
141.06955	1.4
142.07729	0.9
143.08540	3.9
145.04936	1.0
145.10127	8.9
147.08057	2.9
147.11649	5.4
149.09647	3.1
149.13258	3.8
151.07503	0.7
151.11171	2.1
153.05399	0.7
153.12750	1.7
155.08516	3.0
156.09103	0.7
157.10097	4.3
159.08073	1.3
159.11699	8.1
161.05945	0.9
161.09642	1.6
161.13251	4.4
163.07558	0.7
163.11177	1.5
163.14801	1.5
165.09103	2.0
165.12755	1.4
167.05634	0.7
167.08543	0.9
167.10753	0.8
169.10123	2.9
171.08092	1.0
171.11691	2.9
173.09691	1.5
173.13283	6.0
175.07658	0.7
175.11105	1.0
175.14835	1.4
177.09108	0.8
177.16374	0.7
179.10678	0.8
181.10103	1.4
183.08017	0.7
183.11682	3.0
185.09645	1.2
185.13239	2.5
187.11234	0.7
187.14709	3.5
189.09103	0.7
189.12724	1.0
189.16467	1.7
191.06969	0.9
191.14291	1.0
193.08600	1.2
193.12204	0.7
195.11813	0.9
197.09610	0.8
197.13261	1.2
199.11169	1.0
199.14948	1.0
201.12794	0.9
201.16466	0.9
203.10750	1.0
203.17949	1.0
205.08623	0.9
205.12192	0.6
205.15799	0.7
209.08046	0.6
209.13188	0.8
211.09569	0.9
211.14745	1.2
213.12802	1.4
213.16434	1.0
215.14381	0.6
219.13884	0.8
219.17609	0.7
223.09424	0.7
225.16402	0.7
229.08308	0.6
235.13257	2.6
237.14685	1.4
239.09572	1.0
241.19525	0.8
242.90770	0.6
243.13863	0.8
243.21025	1.1
245.15356	0.9
249.14810	1.2
259.20645	2.3
261.14871	1.3
261.22174	4.7
273.22241	0.6
275.13150	0.8
275.16180	0.6
275.20291	0.8
277.14322	1.0
277.21603	1.4
279.23141	1.6
285.00827	0.7
285.22049	0.8
289.21545	0.9
291.23254	0.7
299.23679	0.9
301.21555	1.3
303.23114	2.2
313.21628	0.9
315.23138	1.2
317.21030	0.8
319.22855	1.0
327.23114	1.2
331.22696	0.8
341.24686	1.6
351.23065	1.6
355.07129	1.6
357.16971	0.9
369.24057	4.6
370.24289	0.9
375.17731	0.8
387.25369	4.0
395.33023	1.0
405.26202	2.6
423.27667	0.6
429.26627	0.7
443.24252	1.3
475.22882	0.9
477.24814	1.2
557.38666	1.2
593.31158	1.6
610.45776	1.2
611.35724	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	610.5038
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50153	3.8
53.03943	5.1
53.46084	4.0
55.05512	21.9
57.03435	3.8
57.07078	8.9
67.05502	80.1
69.03411	4.7
69.07056	29.6
71.03322	3.9
71.04978	8.5
79.05485	48.7
81.07057	100.0
83.04972	5.2
83.08626	22.3
85.06528	5.1
91.05396	28.5
93.07042	57.9
95.04967	4.2
95.08601	93.4
97.06523	10.0
97.10168	8.7
105.07029	47.8
107.08586	46.1
109.10156	52.5
111.08067	10.4
113.06047	4.1
117.07042	5.0
119.08604	22.1
121.10148	41.5
123.08046	7.0
123.11713	13.1
125.09647	7.8
131.08545	15.9
133.10127	51.6
135.11702	27.9
137.09558	5.4
137.13219	8.5
139.11172	5.0
143.08533	4.5
145.10115	15.2
147.11638	17.4
149.13249	16.5
153.05475	8.4
159.11711	13.4
161.12053	3.6
161.13266	14.5
163.11176	4.9
163.14828	7.1
165.09131	4.2
173.11818	5.6
173.13269	10.7
175.14871	4.8
186.76434	3.6
193.08609	6.3
211.09627	8.3
225.11171	23.5
237.14725	7.0
243.21106	8.9
261.22202	27.5
273.14844	5.8
277.21710	5.1
279.23166	52.2
297.24188	10.1
299.06433	7.4
355.06912	6.5
361.19992	5.2
539.44653	8.3
557.45703	19.5
593.34552	5.6
611.35541	13.5
611.45856	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	611.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
71.30750	1.0
82.83241	0.7
94.93031	1.8
118.15595	0.8
130.08693	1.4
134.96059	3.5
164.93535	5.1
178.95091	2.9
182.93733	2.2
188.93500	2.2
200.94820	1.6
206.94669	0.8
224.94754	2.7
242.95683	1.3
250.93608	3.0
254.95732	0.8
268.05264	1.1
268.94635	100.0
268.98209	21.6
269.94995	3.3
269.98367	1.3
284.96909	1.5
286.94861	3.5
304.95746	3.1
326.97830	1.6
328.95831	5.5
358.96793	0.9
381.08047	4.9
388.97672	0.9
430.98746	1.0
523.28546	0.9
611.05151	1.7
611.16321	1.1
635.91693	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89956	0.9
59.99958	0.8
69.05033	4.2
69.05458	3.9
94.93021	2.5
102.08279	0.8
112.79679	0.8
125.63504	1.0
134.96092	2.6
152.33870	1.0
155.97902	0.8
164.93588	5.4
176.93488	2.5
178.95090	2.6
182.93675	3.6
188.93449	1.4
200.32120	0.8
200.94725	2.5
224.94751	4.3
242.95746	1.6
250.93564	2.3
268.94620	100.0
268.98245	74.1
269.94965	2.6
269.98456	2.5
284.96896	2.2
286.94635	4.1
304.95831	2.9
326.97934	2.8
328.95859	5.5
381.07968	7.2
461.75940	0.8
525.07233	1.0
611.05035	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	611.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.2
65.03941	1.0
67.01870	0.8
67.05511	0.6
68.99780	6.1
70.70955	1.0
77.03910	0.5
80.10091	0.5
81.03411	3.3
95.04958	1.1
99.04434	1.1
103.74818	0.5
105.03381	0.6
108.95040	0.4
109.02863	4.7
109.77400	0.5
111.00798	6.0
111.04451	1.6
115.05441	0.7
119.04906	0.6
121.02854	1.5
123.04423	10.7
127.03905	100.0
128.04242	1.8
131.04872	0.8
133.02850	2.3
135.04424	1.9
137.05978	0.5
139.03891	76.1
140.04239	2.1
145.06456	0.5
147.04390	5.9
149.02316	1.4
149.05971	0.6
151.03894	28.8
154.74249	0.4
155.03342	1.1
157.06493	0.8
159.04381	1.4
161.02327	0.6
161.05966	1.3
163.03905	7.7
165.05489	1.9
167.03407	3.8
169.04997	1.2
170.78320	0.4
171.04401	1.3
173.05988	0.8
175.03905	11.6
176.04245	0.7
177.05482	4.4
179.03381	33.7
180.03661	1.1
181.04956	2.6
183.04364	0.9
185.05995	1.6
187.03856	1.1
189.05505	2.6
191.03378	9.1
193.04999	2.9
195.06458	1.0
197.05951	1.0
197.79079	0.4
199.03870	2.8
201.05437	4.3
203.03375	18.6
205.04971	2.2
211.03885	0.6
213.05464	3.5
214.05817	0.5
217.04950	3.2
219.06522	0.8
221.04372	0.7
225.05469	0.7
229.04944	3.6
231.06424	2.1
233.04503	4.1
241.05005	2.3
243.06558	0.6
245.04446	8.7
247.05902	0.8
251.05478	1.1
253.04890	0.6
257.04422	10.1
258.04877	0.7
259.05954	1.6
263.05502	12.5
269.04419	2.4
271.05927	1.9
275.02701	0.7
275.05475	12.5
276.05847	0.9
287.05478	34.0
288.05783	2.0
289.07013	1.8
299.05484	14.1
300.05954	0.7
305.06546	6.0
307.08041	5.7
311.05197	0.7
317.06531	11.0
381.87427	0.4
407.07440	1.5
425.08643	13.7
426.08810	1.2
443.09738	5.8
467.09622	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.139
Annotation	Gallocatechin-(4alpha->6)-gallocatechin
Peak:m/z	Relative Intensity
53.03941	0.7
55.01871	1.0
65.03939	1.2
68.99783	7.8
69.04561	5.5
81.03413	3.9
91.05474	0.7
95.04983	1.2
99.04433	0.6
100.12495	0.5
107.04962	1.2
109.02876	4.9
111.00806	5.3
111.04460	1.7
117.03285	0.7
119.04951	0.6
121.02839	1.6
123.04435	12.2
123.57967	0.7
127.03912	97.1
128.04237	1.9
128.29747	0.5
133.02855	3.3
135.04398	2.2
139.03897	100.0
139.23181	0.5
140.04227	1.5
147.04390	5.5
149.02316	2.3
149.06003	0.7
151.03899	35.2
153.01799	0.8
153.05435	0.9
155.03406	5.7
157.06430	1.1
159.04437	1.6
161.06032	1.0
163.03906	9.2
165.05447	2.4
167.03378	3.6
169.04939	1.9
169.06361	0.6
171.04408	2.1
173.05945	0.6
175.03909	11.4
177.05429	4.3
179.03387	32.8
180.03706	1.0
181.04955	4.2
183.04405	0.8
185.05959	1.4
187.03909	0.7
189.05472	2.9
191.03397	9.4
192.03737	0.6
193.05031	2.8
195.06474	1.1
196.07169	0.8
199.03879	2.5
201.05457	3.1
203.03380	16.0
205.05003	1.2
211.03860	0.7
213.05441	4.6
215.03400	0.8
217.04971	4.2
221.04333	0.9
229.05057	5.0
231.06532	3.0
233.04462	5.1
241.04968	2.7
243.06342	0.8
245.04471	10.4
246.04852	0.6
247.05992	1.1
251.05440	1.3
253.04977	0.9
257.04440	11.8
258.04959	1.6
259.05975	3.3
263.05490	11.8
269.04507	3.8
271.05954	1.7
275.05481	15.5
276.05856	1.1
277.07123	2.7
287.05493	37.6
288.05734	1.9
289.07156	2.7
299.05460	12.0
300.05560	0.8
301.07056	0.7
305.03229	0.9
305.06546	11.9
307.08081	8.2
311.05777	0.6
317.06552	11.7
318.06818	0.9
329.06741	0.6
407.07507	1.4
425.03287	0.9
425.08664	13.7
426.08929	1.4
437.08502	0.8
443.09680	6.4
467.09464	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1393
Annotation	Kaempferol 3-(6''-caffeoylglucoside)
Peak:m/z	Relative Intensity
53.00305	1.2
53.01948	0.4
53.03942	0.5
55.01862	1.3
58.81256	0.4
59.21859	0.4
65.03928	1.8
67.01865	0.6
67.05478	0.9
68.99789	6.0
69.31165	1.4
69.31586	1.6
73.04733	0.9
79.05494	0.6
81.03421	2.9
85.02895	0.6
91.05848	0.8
91.49055	0.4
93.03398	1.0
95.04962	1.2
98.23297	0.5
99.04457	0.9
105.03403	1.1
107.04939	1.9
109.02884	3.8
111.00800	7.0
111.04430	1.5
115.05486	0.5
119.04934	1.2
121.02878	2.3
122.26689	0.4
123.04429	9.9
127.03911	74.0
128.04262	1.2
129.06955	0.6
131.04872	0.9
131.06459	0.4
133.02835	3.3
135.04431	4.5
137.02377	0.9
137.06032	0.5
139.03899	100.0
139.25723	0.4
140.04218	2.6
143.04926	0.6
147.04398	7.1
149.02385	2.3
149.05981	1.1
151.03896	28.3
152.04218	0.7
153.01862	1.0
153.05519	0.8
155.03392	1.8
155.04861	0.5
157.06473	1.1
159.04408	1.8
161.05962	2.0
163.02585	0.9
163.03906	13.7
163.05281	0.8
165.05486	1.7
167.03392	2.4
167.05362	0.4
169.04988	1.6
169.06378	0.7
171.04401	1.8
173.05965	1.1
175.03903	14.3
176.04372	0.5
177.05467	5.1
179.03391	37.3
180.03735	1.2
181.04974	6.3
183.04393	0.5
185.06020	1.3
187.03938	1.4
189.05455	3.8
191.03380	8.2
192.03539	0.4
193.04961	5.9
195.06525	1.1
197.05951	1.1
199.03929	1.7
201.05453	3.7
203.03378	22.6
203.07002	0.9
204.03746	1.0
205.04982	1.5
211.04048	0.4
213.05469	4.4
215.03464	1.3
215.06982	0.7
217.04971	4.6
219.06546	1.2
221.04469	1.0
223.05981	0.9
225.05504	0.6
227.03331	1.2
229.04942	5.1
231.06487	3.4
233.04401	2.7
241.04897	3.5
242.05659	0.5
243.06555	0.6
245.04446	13.8
246.04823	1.4
247.05975	1.0
253.04829	0.9
255.06564	0.7
257.04443	18.0
258.05106	1.8
259.05963	3.1
263.05499	9.6
269.04459	3.3
271.05960	2.7
275.05481	14.7
277.07175	1.1
281.04459	0.8
283.05963	0.9
287.05493	54.7
288.05746	3.3
289.07050	2.5
299.05505	16.7
300.06039	0.9
301.07010	1.2
305.06601	6.3
307.08096	3.6
311.05533	1.7
317.06558	13.1
318.06912	1.3
319.08087	1.3
329.06851	0.8
349.09430	0.5
355.07043	0.7
407.07678	1.6
425.08646	22.9
426.08917	2.2
437.08783	2.2
440.10107	0.4
443.09732	6.2
444.10004	0.6
449.08780	1.3
455.09756	1.4
467.09662	4.6
496.90775	0.5
619.11145	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1392
Annotation	Kaempferol 3-(6''-caffeoylglucoside)
Peak:m/z	Relative Intensity
53.00301	1.5
53.03934	0.9
55.01862	1.1
55.78540	0.4
59.45747	0.4
65.03942	1.3
67.05492	0.6
68.99788	5.5
70.58981	0.9
70.59339	0.7
73.04744	0.9
75.14317	0.4
79.05502	0.7
81.03408	2.0
81.90847	0.4
85.02890	0.6
91.05831	0.7
91.38382	0.4
93.03382	1.2
95.04964	1.3
97.02886	0.5
99.04460	1.0
105.03401	1.0
105.07011	0.6
107.04976	2.4
109.02890	3.0
111.00776	5.2
111.04398	1.2
113.41367	0.5
115.05456	0.6
119.04921	0.5
121.02849	2.5
123.04424	9.4
127.03906	51.5
128.04266	1.3
131.04884	1.0
133.02855	2.8
135.04420	4.4
137.02280	0.5
139.03893	100.0
140.04245	2.6
145.02843	0.8
147.04398	6.4
149.02342	2.0
151.03891	22.2
153.01811	1.7
153.05443	1.2
155.03363	1.6
157.06447	1.1
159.04370	2.2
161.05977	1.6
163.03886	14.2
165.05455	1.1
167.03366	2.0
169.04984	1.3
171.04410	1.7
173.06007	0.7
175.02377	0.8
175.03889	11.9
177.05461	4.2
177.60397	0.5
179.03381	32.4
180.03697	1.0
181.04930	8.3
181.06424	0.3
183.04428	1.1
185.05954	0.9
187.03925	1.4
189.05505	3.0
191.03392	6.2
193.04965	5.9
195.06485	1.1
197.06015	0.9
199.03864	1.7
201.05449	3.6
203.03386	19.5
204.03813	0.5
205.04932	1.4
213.05428	3.5
215.03339	1.3
215.06966	0.7
217.04970	5.2
219.06526	0.6
220.35027	0.4
221.04463	0.7
227.03439	0.9
229.04953	5.2
231.06508	3.2
233.04453	1.8
241.04962	4.1
243.06485	0.7
245.04443	15.9
247.05952	0.8
253.04968	0.8
257.04422	16.5
258.05200	2.1
259.06107	2.9
263.05505	8.5
269.04398	4.7
271.05954	4.3
275.05472	15.9
276.05774	0.5
277.07022	0.8
281.04608	0.9
283.05844	0.6
285.00955	0.5
285.04034	0.6
287.05472	50.4
288.05893	3.2
289.07144	2.4
299.05475	16.1
300.05911	1.5
301.06799	1.0
303.04974	1.0
305.06509	5.9
307.08084	3.9
311.05527	1.3
317.06540	12.3
318.06918	0.6
319.08057	1.2
323.05835	0.5
329.06369	0.6
355.06900	0.8
356.07013	1.0
407.07474	2.0
425.08649	27.0
426.08752	2.0
437.08545	2.1
438.73218	0.5
443.09677	6.8
444.10141	0.6
449.08707	1.8
455.09720	1.5
467.09763	3.9
611.12811	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1387
Annotation	Gallocatechin-(4alpha->6)-gallocatechin
Peak:m/z	Relative Intensity
50.28960	0.5
53.00306	0.9
55.01862	1.3
63.36421	0.5
63.52222	0.5
65.03941	1.5
67.05477	0.9
68.99783	6.9
69.00137	0.7
71.08651	1.1
79.05493	0.6
81.03429	3.0
83.21227	0.5
91.05450	0.7
95.04960	1.4
98.22677	0.6
99.04456	1.1
105.03403	1.4
107.04916	0.6
107.52272	0.5
109.02863	3.0
111.00783	5.6
111.04422	1.4
119.04940	1.2
121.02871	1.7
123.04420	10.0
127.03905	90.8
128.04250	2.0
131.04906	0.9
133.02855	2.6
135.04405	2.2
137.05902	0.6
139.03889	100.0
140.04208	2.4
147.04398	5.7
149.02344	2.6
149.06000	0.7
151.03897	28.2
152.04301	0.8
153.01773	1.1
155.03368	2.1
157.06477	0.8
159.04419	1.8
161.05949	1.9
163.03882	8.8
165.05524	2.7
167.03395	5.5
169.04947	1.7
169.06300	0.6
171.04385	1.5
175.03894	11.2
177.05446	4.5
179.03377	31.5
180.03757	1.1
181.04939	3.8
183.04384	0.8
185.05988	2.2
187.03880	1.0
189.05431	3.1
191.03392	9.9
193.04932	3.1
197.05902	0.9
199.03886	2.3
201.05464	3.9
203.03371	16.4
205.04948	1.8
213.05444	4.3
215.03322	1.4
217.04947	4.6
219.06497	1.0
221.04721	0.7
229.02852	0.7
229.04927	4.6
231.06514	2.8
233.04424	5.5
241.04901	1.8
245.04422	11.0
247.06003	1.1
251.05434	1.5
253.04892	0.8
257.04428	12.3
258.05096	1.0
259.06097	2.9
263.05502	14.7
264.06104	0.8
269.04431	2.5
271.06021	1.7
275.05484	20.9
276.05795	1.2
277.07074	0.7
287.05472	37.2
288.05746	1.9
289.07043	2.1
299.05487	15.3
300.05743	0.9
305.06512	9.6
307.08109	7.0
317.06522	18.0
318.06836	1.1
319.07944	1.1
341.06403	0.7
407.07397	2.1
425.08624	19.6
426.08981	1.3
443.09720	9.5
444.09482	0.8
467.09460	1.0
489.47366	0.6
547.15503	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	0.8
53.00299	0.7
55.01865	1.5
65.03955	0.9
67.01849	0.6
67.31958	0.5
67.44096	0.5
68.99786	5.9
70.13332	1.1
70.13722	1.1
81.03413	3.2
91.05471	0.9
93.03418	0.8
95.04966	1.7
97.02925	0.6
99.04428	1.1
105.03383	1.4
107.04944	0.9
109.02868	4.2
111.00804	6.0
111.04430	1.5
121.02868	2.2
121.06557	0.5
123.04431	10.5
127.03906	99.3
128.04265	2.2
133.02818	2.7
135.04425	2.4
136.06187	0.5
139.03893	100.0
140.04230	2.4
145.02773	0.8
147.04395	6.3
149.02345	1.7
151.03897	29.0
152.04234	0.9
153.01781	0.9
153.05446	0.5
155.03389	1.9
157.06497	1.0
159.04381	1.6
161.05937	1.2
163.03896	9.0
165.05412	1.3
167.03368	3.7
169.05031	2.5
171.04373	1.8
173.05943	1.2
175.03915	14.3
177.05478	5.3
179.03384	34.9
180.03685	1.3
181.04936	3.5
183.04391	0.8
185.06009	1.3
187.03870	0.6
189.05492	3.1
191.03391	7.6
193.04907	2.6
195.06441	0.7
197.05963	1.0
199.03789	2.8
201.05414	3.7
202.06046	0.5
203.03374	17.6
205.04971	1.5
211.03716	0.7
213.05450	4.6
215.03337	0.8
217.04990	3.6
219.06493	1.2
227.03470	0.6
229.04988	5.3
230.05544	0.5
231.06436	2.8
233.04391	4.6
241.05000	2.1
245.04446	8.8
251.05602	0.7
257.04416	11.3
258.05139	1.3
259.06015	2.9
263.05478	16.0
264.05753	0.7
269.04446	2.3
271.05969	2.3
275.05469	15.2
276.05646	0.7
277.07022	0.9
281.04410	0.8
287.05481	37.2
288.05774	1.9
289.06995	2.2
299.05493	16.6
305.06564	8.4
306.06696	0.8
307.08069	10.2
311.05380	0.9
317.06552	15.1
318.07040	1.1
323.05338	0.8
331.72842	0.6
359.08374	0.6
407.07394	1.1
425.03333	0.9
425.08661	16.2
426.09070	1.1
443.09744	7.7
467.09631	1.1
519.90033	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98267	0.2
69.05999	1.4
69.06430	1.0
73.04725	0.3
78.06822	0.3
79.49113	0.3
118.80314	0.3
119.08572	0.3
119.09644	0.3
159.04144	0.8
167.07034	0.3
175.03630	0.4
187.15715	0.3
189.05212	35.5
190.05611	1.1
202.05980	0.8
203.06772	9.8
204.07549	2.6
205.06616	0.3
207.06296	0.3
216.07460	1.4
217.08334	9.5
219.06288	0.3
232.07100	0.4
233.07777	1.4
357.10281	0.3
369.13132	0.9
369.41705	0.3
383.14523	0.6
399.14047	3.1
413.15735	4.6
414.16422	8.7
415.17386	1.4
429.15289	0.4
581.23608	0.8
611.24536	100.0
612.24872	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	611.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
66.51505	0.3
69.42780	1.1
69.43201	1.0
70.43491	0.3
73.04807	0.3
74.06503	0.3
74.22575	0.3
80.35365	0.3
98.20462	0.3
119.64087	0.3
157.35948	0.4
159.04214	0.6
189.05220	30.7
190.05609	0.7
191.11130	0.3
202.06053	0.9
203.06786	7.8
204.07492	1.8
205.04703	0.4
216.07632	1.7
217.08330	7.5
232.07065	0.6
233.07903	1.4
234.08501	0.4
369.12979	0.8
383.14627	1.5
399.14163	3.0
413.15765	4.6
414.16467	6.4
415.17142	1.5
563.21954	0.7
611.24573	100.0
612.24945	14.0
612.33319	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3034
Annotation	Endomorphin-1
Peak:m/z	Relative Intensity
55.05509	5.2
67.05492	1.9
69.07066	1.8
73.04764	1.6
79.05491	1.7
81.07063	1.3
83.08617	7.0
85.02894	0.6
85.70284	0.4
86.09708	0.4
91.05788	1.9
93.07054	1.4
95.08614	0.8
97.10163	4.8
105.07047	0.7
107.08601	2.5
111.08095	2.1
113.81702	0.5
119.08655	0.6
121.06496	0.9
125.09621	6.1
133.10135	0.5
135.08054	0.7
136.05215	0.5
139.07622	0.5
145.10138	0.7
147.11736	0.5
157.08516	0.8
167.05615	0.6
167.06984	0.8
175.09665	1.1
181.04955	1.3
181.08505	0.7
189.11148	2.7
197.07913	2.7
209.17627	0.5
211.07594	0.8
211.09409	6.0
213.11232	1.7
227.12737	2.9
251.12448	0.6
261.66205	0.5
268.97797	0.6
285.00940	0.7
299.05975	0.7
355.06805	0.9
356.07144	1.3
423.19882	9.2
424.20026	0.8
437.21512	5.3
438.21573	0.6
589.36047	0.6
593.31067	0.9
611.30243	100.0
612.30603	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	611.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.7
55.01871	0.9
55.05505	6.4
57.03440	1.2
57.07080	9.8
59.04988	1.5
65.03944	2.4
67.05158	0.9
67.05505	11.7
69.03427	1.6
69.07069	3.6
71.04984	2.8
77.03913	0.9
79.05495	15.3
80.82099	0.5
81.03407	1.1
81.07056	17.4
83.01353	1.2
83.04980	2.1
83.08627	1.7
85.06538	6.0
91.05482	44.8
92.05811	1.9
93.07044	15.6
95.04982	4.3
95.08601	7.4
96.80976	0.6
97.06529	2.3
97.10239	0.6
98.23358	1.4
101.52499	0.6
103.05473	3.5
105.07033	100.0
106.07365	3.0
107.04899	1.0
107.08601	8.4
109.06530	3.5
109.10143	5.4
111.04451	0.8
111.08086	0.7
113.06013	1.1
115.05477	0.9
117.07021	3.6
118.07846	0.8
119.08575	6.0
121.06528	1.3
121.10142	6.6
123.04428	1.1
123.08036	1.5
123.11690	2.4
125.05994	0.9
129.07002	2.1
131.08574	7.9
133.10132	72.5
134.10509	2.9
135.08029	1.0
135.11702	4.1
137.05968	4.3
137.09627	4.4
138.50412	0.7
139.11194	4.0
141.05490	2.5
141.07034	0.8
143.08582	2.1
145.10127	4.4
147.08067	1.7
147.11693	2.8
149.05963	0.8
149.09653	1.8
149.13252	1.1
150.10362	0.8
151.07669	0.8
151.11177	3.8
153.05476	10.9
154.50706	0.7
155.08527	1.1
157.05011	1.6
157.10118	1.7
159.08080	0.7
159.11700	3.3
161.09618	1.8
161.13252	1.8
163.07576	0.6
165.05522	3.4
165.09131	2.8
167.07086	1.1
167.10710	2.0
169.04967	7.3
169.10217	0.8
171.11696	2.3
173.13298	2.3
175.07619	1.6
175.11229	1.5
175.14880	0.9
177.05467	1.1
177.09163	2.0
177.12817	0.6
179.07066	1.8
179.10698	1.0
181.04970	0.9
183.10205	1.0
183.11713	1.0
185.09692	0.9
185.13280	2.4
187.07466	0.8
189.09143	1.2
189.12708	1.0
191.07063	1.8
191.10637	0.8
191.14331	1.7
193.08649	4.3
195.10176	1.6
197.13306	0.8
199.11198	0.6
199.14807	1.0
201.08986	0.7
203.10617	1.1
203.14281	1.1
205.08667	3.1
207.10152	5.1
209.07991	1.0
209.15285	1.4
211.09618	7.2
213.09157	0.9
213.12756	2.0
215.10530	0.7
217.08638	1.6
217.12181	0.8
219.10236	2.2
221.11787	1.0
221.15259	0.9
223.09607	3.9
225.11217	31.2
226.11647	1.5
231.13832	2.8
235.13376	2.3
237.11157	2.8
237.14853	7.4
238.15028	0.7
241.10635	0.9
245.11728	0.9
249.15019	0.8
251.16464	1.2
255.13913	0.9
257.11859	1.0
259.13187	1.0
259.20560	1.5
261.14865	2.2
273.14819	9.9
275.12753	1.6
277.14493	0.7
277.21207	0.6
279.15994	4.3
283.13089	0.8
287.12836	0.7
287.20340	0.7
289.21515	0.7
291.15930	2.5
301.25726	0.7
311.16412	0.7
313.21637	0.8
316.70145	0.6
327.19598	1.0
333.24216	0.9
335.25882	2.4
339.19482	1.7
343.19107	2.9
357.16760	1.1
357.20609	8.3
358.20901	1.0
361.20221	1.2
375.21686	2.2
411.25497	3.4
427.21338	0.9
443.24298	4.7
491.28033	1.0
509.29010	2.1
511.27115	1.6
512.26880	0.7
575.33374	1.0
593.34760	17.6
594.35126	2.3
611.35742	10.1
611.46600	7.9
612.36053	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	2.2
52.41476	1.2
53.03947	9.2
55.01871	2.7
55.05513	6.7
57.03433	2.4
57.07082	14.7
59.05004	6.4
65.03941	4.4
67.05508	16.9
68.00506	1.2
69.03434	4.5
69.07070	11.0
71.04984	6.8
77.03922	2.2
79.05497	22.8
81.03438	2.2
81.07058	41.8
83.01353	2.8
83.04965	2.5
85.06541	11.3
91.05479	54.4
92.05760	1.6
93.07044	100.0
94.07357	2.7
95.04967	26.0
95.08614	10.5
97.06529	3.7
98.02998	1.3
103.05486	1.7
105.04472	3.5
105.07029	67.4
107.04924	2.1
107.08588	36.6
109.06519	14.7
109.10146	9.0
111.08066	3.1
113.06005	8.2
115.05473	1.3
117.07036	3.3
119.08576	4.8
120.98587	1.5
121.06511	3.7
121.10152	13.9
123.04451	1.7
123.08091	6.1
123.11709	14.7
125.06014	2.4
125.09620	3.1
127.07554	3.2
129.07076	2.3
131.08548	6.5
133.10126	80.4
134.10483	3.1
135.04475	1.6
135.08064	2.6
135.11667	9.0
137.05966	8.3
137.09630	6.1
139.03902	4.4
139.11176	5.9
141.05479	10.4
147.08086	4.7
149.09604	3.6
151.07497	2.2
151.11165	11.3
153.05460	34.4
155.07001	2.0
157.05013	6.6
157.06047	1.3
159.08127	1.5
161.13297	1.7
163.07564	3.9
163.11118	1.6
165.05464	5.0
165.09116	10.4
167.03395	2.8
167.07050	1.6
167.10611	4.4
169.04965	8.1
173.13226	2.1
175.07556	7.8
175.11230	1.4
177.05496	3.6
177.09073	4.2
177.12747	1.6
179.07027	2.3
179.10663	1.5
181.05060	1.4
181.12315	2.0
183.10132	2.9
185.13373	1.6
187.07574	1.4
189.09003	2.4
191.07057	4.8
191.14374	1.7
193.08604	35.5
194.08951	1.9
195.10141	4.6
205.08667	8.3
205.12154	1.2
207.10181	13.6
209.08076	4.1
211.09647	83.5
212.10008	3.6
217.08556	3.8
219.10187	3.2
221.11708	3.0
223.09677	13.2
225.11206	54.1
226.11646	3.3
227.09163	1.7
231.10022	2.5
231.13774	3.7
233.11749	18.6
233.15315	2.3
237.11282	4.6
237.14836	12.7
249.14830	4.1
251.16405	15.4
255.13853	2.5
257.11719	2.5
259.13266	1.4
261.14719	2.9
273.14865	25.8
277.14450	1.4
279.15872	10.4
288.57391	1.3
291.15967	7.8
297.10791	2.0
303.15955	5.1
315.12341	2.5
315.19305	1.8
317.17532	3.0
325.17950	2.8
327.19513	2.1
329.87811	1.4
343.19144	9.5
344.19333	1.6
357.20596	8.2
361.20111	8.2
375.21701	6.1
385.16290	3.5
391.17242	1.5
399.18134	1.8
402.03046	1.3
405.19180	1.6
411.25140	1.9
429.26285	4.0
436.73370	1.4
443.24295	25.4
444.24750	2.2
459.23923	2.1
461.25192	5.1
505.29364	1.9
509.28906	2.7
523.30469	2.5
527.29840	3.6
541.31415	5.4
553.31177	1.6
575.33899	3.2
576.33881	1.6
593.27478	1.3
593.34863	16.3
594.34918	3.1
611.36438	19.3
611.45844	2.6
612.35785	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	611.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01606	1.3
50.50447	1.2
51.02386	1.4
53.03948	8.5
55.01876	3.7
55.05514	11.5
57.03438	2.9
57.07079	19.2
59.05002	7.4
61.30714	1.1
65.03943	5.1
67.05505	27.3
69.03440	4.8
69.07066	13.3
69.53884	7.6
71.04983	5.6
77.03919	2.4
79.05492	39.3
80.05843	2.1
81.03410	2.1
81.07056	50.7
82.07385	1.6
83.01330	7.6
83.04980	3.8
83.08613	2.2
85.06544	13.6
87.04482	1.3
91.05477	50.0
92.05818	3.1
93.07046	100.0
94.07372	2.9
95.04971	28.0
95.08604	18.3
96.08926	1.3
97.06528	14.7
97.10155	1.3
103.05475	3.5
105.04546	2.5
105.07030	58.4
106.07363	2.7
107.04968	3.1
107.08595	37.9
108.08869	1.7
109.06519	14.8
109.10175	11.4
111.04456	2.4
111.08099	4.0
113.06015	5.2
117.07030	5.4
118.07831	1.3
119.08588	11.9
120.08875	1.9
121.06496	5.8
121.10143	21.8
123.04444	2.3
123.08102	7.0
123.11714	14.8
125.05964	2.3
125.09648	2.5
127.07577	2.1
129.07001	3.5
131.08572	12.7
133.06534	1.6
133.10130	62.2
134.10521	2.1
135.08057	4.4
135.11688	38.5
136.12056	1.7
137.05943	8.2
137.09630	8.8
139.03934	3.4
139.07568	2.1
139.11176	17.7
141.05481	6.1
143.08559	3.6
145.06487	1.6
145.10152	4.8
147.08034	5.5
147.11696	5.4
148.12067	1.3
149.09621	8.2
149.13242	2.4
150.10475	4.2
151.03911	3.5
151.07582	5.7
151.11188	11.8
153.05469	22.8
153.12761	1.8
157.04968	3.0
157.10147	3.2
159.08052	2.0
159.11687	3.3
161.09662	3.7
161.13315	3.0
163.07550	2.8
163.11165	3.8
164.12090	1.3
165.05498	4.3
165.09117	12.0
167.03394	2.6
167.07237	1.5
167.10719	11.8
169.04947	9.7
173.09589	1.3
173.13309	5.7
174.06783	1.3
175.07576	7.4
175.11203	1.2
175.14854	1.8
177.05507	2.2
177.09146	5.4
177.12750	4.5
179.07101	3.7
179.10820	2.6
179.14337	2.1
181.12221	1.4
183.10234	1.5
183.11710	1.4
185.04535	1.9
185.13295	2.7
187.14845	1.9
189.09146	2.1
189.12770	2.4
191.07048	4.7
191.10808	1.5
191.14337	5.3
193.08595	25.7
193.10181	2.0
195.10175	4.6
197.08096	3.9
203.07013	1.6
203.10699	2.7
203.14345	3.5
205.08574	7.9
205.15952	1.9
207.10127	10.9
207.11742	1.3
207.13799	2.5
207.37225	1.3
209.08098	4.9
209.11732	1.3
209.15276	5.8
211.09644	74.6
212.10002	2.5
213.09309	1.4
213.12866	1.7
215.10568	1.4
217.08586	1.8
219.10094	3.5
219.13864	2.3
219.17427	3.8
220.17862	2.5
221.11690	1.9
221.15410	1.5
223.09601	9.1
225.11194	35.0
228.98077	1.2
229.12170	2.3
231.10124	2.0
231.13820	3.3
233.11722	12.8
235.09650	1.6
235.13335	3.1
237.11147	3.6
237.14839	50.9
238.15077	2.2
241.10756	5.5
247.13054	1.5
249.14743	2.9
251.16418	17.1
255.13748	1.6
261.14932	3.5
265.14355	8.8
269.11768	2.2
273.14871	15.6
274.15344	1.9
275.12820	3.0
275.20065	3.0
276.20392	3.2
277.20917	1.5
279.15839	9.0
283.13211	2.5
285.14948	2.0
291.15964	5.6
297.14899	1.5
297.18652	1.6
299.16583	1.4
303.15887	3.9
309.18716	1.5
313.17892	2.3
315.19794	2.0
327.19577	13.2
329.21072	5.3
337.14334	1.5
339.19638	1.6
343.19061	5.5
345.20694	3.3
347.22147	2.3
357.20676	5.1
359.18286	1.7
359.22333	1.4
361.20029	6.8
375.21741	6.9
385.16187	1.8
399.17987	2.4
411.25616	2.0
421.19925	1.9
423.21939	1.4
429.26526	3.6
439.20987	8.1
443.24185	16.0
457.22394	2.2
459.23889	2.7
461.25510	4.2
462.25586	1.9
475.23068	5.1
476.23712	1.3
491.27722	1.5
509.29407	1.6
519.27008	1.7
527.29974	1.3
533.28815	6.3
551.30438	1.7
575.33490	9.8
593.34869	11.1
611.35516	35.6
611.46033	9.4
612.35541	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	611.4666
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07467	5.0
53.03926	6.2
53.08772	4.5
55.01903	4.6
55.05519	26.2
55.58496	4.6
57.03399	6.0
57.07055	5.7
65.03931	5.3
67.05502	94.3
69.07068	28.4
71.34905	8.0
79.05485	69.3
81.07049	100.0
81.18656	4.6
82.07409	5.9
83.08625	11.4
91.05456	54.8
93.07034	68.4
95.04970	13.0
95.08604	72.9
95.70470	5.1
97.06515	6.3
97.10180	9.1
97.15108	5.2
99.08047	6.5
100.98716	5.5
105.07016	50.9
105.72589	4.7
107.08575	42.4
109.10174	35.3
117.07018	24.9
119.08588	41.0
121.10145	34.7
123.11687	10.8
125.09656	11.0
129.06993	12.5
130.07829	4.6
131.08553	28.2
133.10123	29.4
135.11679	20.3
143.08574	16.6
145.10085	28.8
147.11710	28.0
149.13235	8.4
155.08618	6.0
157.10109	19.7
159.11682	21.1
161.13205	23.7
169.10085	6.7
171.11703	13.0
172.12419	5.4
173.13223	15.3
175.14793	6.0
183.11707	6.2
185.13235	9.0
187.14848	7.8
189.72662	5.3
197.13376	6.3
199.14804	9.5
201.16336	6.2
212.39615	5.0
213.16531	6.0
222.75214	5.0
241.19624	10.3
257.19098	8.7
259.20535	18.4
261.22211	12.6
277.21631	6.5
279.23245	15.4
333.24368	13.5
335.25797	18.2
356.06931	6.6
470.90668	5.3
513.35120	11.5
514.44324	5.5
519.42023	6.2
557.45184	11.4
593.45441	8.6
611.47052	96.4
612.47345	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	611.4661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	9.1
55.01874	4.3
55.05508	42.2
57.03429	5.8
57.07061	11.0
62.95721	3.4
64.03244	3.2
65.03936	6.3
65.81255	3.7
66.19901	3.4
67.05499	100.0
69.07061	30.5
69.40602	24.1
71.04998	3.7
71.08632	4.6
79.05492	68.7
81.07048	97.2
83.08600	16.6
84.88791	4.2
85.06538	6.2
91.05450	48.7
93.07037	70.7
95.04942	7.8
95.08605	67.9
97.06487	4.9
97.10175	8.4
98.22610	5.0
105.07027	47.4
107.08585	36.9
109.06510	5.7
109.10146	28.6
111.08097	4.5
116.62771	3.9
117.07056	10.6
119.08582	37.6
121.10150	28.0
123.08026	6.6
123.11694	15.4
129.06985	7.7
131.08543	27.2
133.10118	24.0
135.11696	23.7
136.92569	3.5
137.09592	4.2
137.13220	5.4
143.08553	12.2
145.10092	27.3
147.11717	19.0
149.13240	14.3
153.05423	3.7
155.08492	7.4
157.10156	12.9
159.11687	18.1
161.13260	11.1
163.14871	7.8
169.05009	4.8
171.11668	11.2
173.13249	14.1
175.14809	10.0
179.14223	6.0
183.11734	4.4
185.13246	11.0
187.14809	10.5
197.13208	6.7
199.14922	5.2
213.16447	3.6
225.11176	9.0
241.19463	4.4
257.18912	3.8
259.20538	14.4
261.22174	13.2
277.21570	6.2
279.23257	23.4
323.74509	4.1
333.24347	9.1
335.25769	8.0
557.45349	10.0
593.45709	6.7
611.46613	69.0
612.47192	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	611.4655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.3
55.01868	4.5
55.05506	27.8
56.43050	1.3
57.03429	5.5
57.07067	5.3
58.77538	1.2
65.03930	3.3
67.05500	93.6
68.05841	1.8
69.07063	38.7
70.47162	1.2
71.04990	6.3
71.08632	2.1
73.06593	1.5
79.05491	56.4
81.07050	100.0
82.07392	2.8
83.04972	4.0
83.08611	18.5
85.06549	5.6
91.05467	36.6
93.07037	57.8
94.07334	1.6
95.04960	5.0
95.08600	82.0
97.06529	8.5
97.10165	8.5
99.08102	2.9
105.07022	34.0
107.04977	1.8
107.08586	34.3
109.06516	2.4
109.10143	38.6
109.10870	2.8
111.08073	5.0
111.11694	2.4
113.09716	1.3
117.07008	12.9
119.08578	25.9
121.10128	34.5
122.51568	1.4
123.08077	3.5
123.11704	12.8
125.09634	3.2
128.06265	1.8
129.07008	6.9
131.08565	24.7
133.10129	21.6
135.08009	1.7
135.11678	26.2
137.09619	3.0
137.13231	5.9
139.11185	2.5
142.07779	1.4
143.08537	8.5
145.10110	21.4
147.11659	18.4
149.09590	2.8
149.13242	11.2
151.11183	2.1
151.14761	1.8
153.12759	2.5
155.08545	3.2
157.10123	7.9
159.11681	16.1
161.13240	13.5
163.14816	5.3
165.12721	2.2
169.10149	5.5
171.11676	6.7
173.11913	2.0
173.13255	13.2
175.14845	4.5
177.12770	2.7
177.16379	2.8
179.14290	4.5
181.16066	1.4
183.11722	3.0
185.13255	5.8
187.13408	1.5
187.14798	7.5
189.16315	2.3
197.13148	1.4
199.14790	3.2
201.16353	3.5
213.16296	3.9
219.17447	1.9
241.19481	5.0
243.21062	8.9
259.20511	11.6
260.20963	1.8
261.22110	26.4
275.20197	2.2
277.21548	2.3
279.23160	63.5
280.23444	3.0
297.24307	12.5
315.23172	1.4
333.24329	4.0
335.25906	7.4
354.03604	1.3
508.10300	1.3
519.41992	1.6
521.43439	2.9
539.44250	9.4
555.15637	1.3
557.45532	18.2
558.45825	1.5
575.47076	7.3
593.46106	4.4
611.46729	40.3
612.46539	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	611.4877
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63995	1.1
53.03940	5.3
53.42363	1.1
55.01868	3.1
55.05256	1.8
55.05510	28.9
57.03447	5.9
57.07072	5.5
59.05001	1.4
65.03925	3.9
67.05504	87.3
68.05830	1.5
69.03423	1.2
69.06707	2.3
69.07068	37.0
71.04984	6.7
71.08630	2.0
78.15954	1.1
79.05492	52.0
80.05820	1.7
81.07054	100.0
83.04974	3.9
83.08616	14.0
85.06549	5.4
91.05470	35.0
92.05810	1.6
93.07046	54.7
94.07351	2.9
95.04968	5.2
95.08607	79.8
96.08927	1.8
97.06539	8.5
97.10172	8.2
99.08077	2.9
105.07032	34.5
106.07358	1.8
107.04926	1.3
107.08587	28.5
108.08972	1.5
109.06515	3.1
109.10153	36.8
110.10451	1.2
111.08083	5.0
111.11697	1.6
114.56682	1.2
117.07014	11.3
119.08575	27.3
120.08846	1.3
121.10141	31.9
122.10506	1.5
123.08105	2.1
123.11712	14.3
125.09626	2.5
126.48029	1.5
127.07509	1.2
128.06187	1.8
129.07025	5.9
131.08556	22.2
133.10130	23.9
134.10495	1.3
135.08093	1.5
135.11688	23.8
137.09630	2.6
137.13274	5.6
139.11169	2.9
141.07047	1.6
143.08531	7.6
145.10124	20.9
147.11690	17.7
149.09622	1.9
149.13240	11.1
151.11186	2.3
151.14781	2.3
153.09166	1.2
153.12770	2.1
155.08588	2.9
157.10152	6.9
157.76935	1.1
159.11678	13.4
161.13266	15.1
163.11122	2.6
163.14833	4.9
165.12729	2.4
169.10100	3.2
171.11638	7.5
173.11838	1.9
173.13213	10.9
175.14833	5.6
177.05409	1.8
177.16394	2.5
179.14322	4.6
183.11696	4.4
185.13196	5.8
187.14757	5.7
189.16463	2.0
197.13361	3.5
199.14873	4.0
201.16374	3.3
209.13257	1.4
211.14920	1.5
215.17978	1.7
219.17416	1.9
227.18060	1.4
241.19547	4.8
243.21080	11.2
244.21408	1.5
257.19095	3.3
259.20529	9.6
261.22128	24.1
262.22491	3.1
275.20123	5.5
277.21686	3.1
277.27155	1.2
279.23172	71.7
280.23578	4.7
285.01007	1.3
297.24176	15.8
298.24658	1.6
333.24045	5.8
335.25867	8.5
519.41943	2.2
521.43347	3.1
529.45685	1.9
537.43726	1.6
539.44873	10.9
557.32153	1.3
557.45709	18.8
558.45551	3.0
575.46643	8.0
576.47223	1.6
593.45917	6.5
611.46753	41.7
612.47156	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4876
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.6
55.05509	27.7
56.43110	3.1
67.05501	76.2
69.02876	32.7
69.07068	29.6
71.04982	7.8
73.04758	13.7
75.96149	3.0
79.05487	46.6
79.28742	2.7
81.03439	3.3
81.07053	95.3
83.04968	5.7
83.08619	14.5
85.06553	7.8
91.05477	18.3
91.05900	7.3
92.05758	4.7
93.07038	47.6
95.04991	5.1
95.08602	76.3
97.06546	6.7
97.10165	8.1
105.07024	28.5
107.08573	32.4
109.10146	40.1
109.45573	3.1
111.08096	3.8
117.06994	7.3
119.08567	13.3
121.10134	29.8
123.08122	2.8
123.11724	11.6
131.08554	13.8
133.10123	14.3
135.11707	18.1
137.09700	3.5
145.10129	8.8
147.11653	15.5
149.13300	7.9
159.11754	3.7
160.51921	3.1
161.13269	11.6
167.05562	6.6
173.13182	4.9
175.14807	5.6
179.14389	3.1
187.14871	6.6
239.09575	3.7
240.09816	4.5
243.21030	15.9
261.22119	34.8
262.22522	4.3
268.97781	2.9
279.23178	100.0
280.23407	8.8
285.00906	5.2
286.49261	2.9
297.24341	20.7
299.06262	4.2
300.06140	3.4
310.39282	3.8
323.67322	3.0
355.06961	11.3
356.07019	16.8
357.06900	3.8
539.44513	17.1
555.80341	3.2
557.45642	32.4
558.45990	8.6
575.46588	20.4
611.47247	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	611.4878
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.4
52.65696	1.2
53.03931	4.1
55.05512	20.5
56.62416	1.4
57.03421	2.2
57.07075	3.2
61.38329	1.5
65.03920	2.6
67.05502	77.6
69.03417	2.0
69.07066	29.5
71.04996	7.8
71.08608	4.2
73.04772	1.6
79.05494	30.9
81.07053	96.5
82.07373	2.4
83.04968	3.7
83.08624	14.8
85.06535	6.9
91.05447	17.2
93.07040	40.7
95.04960	3.4
95.08602	87.0
96.08942	1.8
97.06534	8.5
97.10186	10.2
99.03650	1.6
99.08069	2.9
100.26366	1.4
105.07026	14.8
107.08595	26.9
109.06500	2.1
109.10150	41.6
111.08050	3.9
111.11733	2.5
117.07005	6.0
119.08572	14.3
121.10136	30.7
123.08060	2.8
123.11687	16.8
125.09595	2.5
131.08565	10.9
133.10136	15.5
135.11681	22.4
137.09598	3.1
137.13229	9.6
139.11182	2.3
143.08604	2.4
145.10133	12.3
147.11684	12.5
149.09621	3.0
149.13263	9.7
151.11191	5.2
151.14828	4.1
153.12766	1.8
159.11661	7.0
161.13251	13.4
163.14830	3.6
165.12717	4.9
171.11702	2.0
173.11908	2.6
173.13254	10.0
175.14807	5.0
177.12819	1.5
177.16306	2.9
179.14297	4.7
187.13297	1.6
187.14844	4.9
189.16321	1.9
201.16377	2.2
209.15376	3.0
223.16876	2.6
233.22820	1.5
243.21124	13.2
259.20605	1.7
261.22150	33.1
262.22513	3.1
277.21555	5.2
279.23169	100.0
280.23511	6.3
295.22760	2.5
297.24222	27.6
356.07019	2.1
387.78992	1.8
513.36096	2.4
521.43176	3.5
539.44440	11.0
540.44647	2.0
557.45667	17.7
558.45520	2.4
575.46637	9.1
593.47351	2.0
611.39258	2.4
611.48053	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	612.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.5
55.05506	4.0
57.03439	2.0
61.02913	2.9
62.27658	1.7
65.03935	5.6
67.05491	5.5
67.81288	1.5
69.03421	7.4
69.07052	2.1
71.05004	2.5
71.32701	2.9
73.04755	2.5
79.05492	6.9
81.03418	25.2
81.07053	7.4
83.04996	3.4
85.02889	14.2
85.06580	2.4
85.86855	1.8
91.03985	1.9
91.05448	14.8
93.03346	2.2
93.07039	4.4
95.04956	7.4
95.08593	3.4
97.02886	8.1
97.06532	3.0
99.04469	3.3
103.05456	8.1
105.03391	2.5
105.06995	9.2
107.04938	10.6
107.08601	4.1
109.02902	3.4
109.06516	3.8
109.10143	4.0
110.06087	1.7
115.05451	5.6
117.07018	8.0
117.78891	2.1
119.04952	15.8
119.08584	5.2
121.02857	5.8
121.06513	3.7
121.10146	6.2
123.04405	8.6
123.08083	2.9
124.05145	2.5
127.03907	6.6
128.04314	2.0
129.05466	2.2
129.07060	2.1
131.04930	6.1
131.08586	4.4
133.06483	5.3
133.10123	3.8
135.08087	3.3
135.11691	2.5
135.12938	1.8
137.05986	15.4
137.09590	2.7
138.13855	1.7
143.08647	2.5
144.05672	3.5
145.05022	4.0
145.06476	26.5
147.04370	12.0
147.08028	2.9
147.11649	3.1
148.05064	2.5
149.02313	2.7
149.05948	5.2
149.09686	3.2
151.03903	22.8
151.07536	4.1
152.04692	3.0
153.01805	4.1
153.05533	3.5
157.06494	2.3
159.08022	7.9
160.05107	1.9
161.06017	10.4
161.09648	2.5
163.03879	3.9
163.06148	1.9
163.07549	4.4
163.11171	2.8
165.05542	2.9
165.09155	2.5
166.06241	10.2
167.03378	3.0
167.07039	78.5
168.07414	3.6
169.08652	3.2
171.08034	2.8
173.05981	32.6
174.06741	2.7
175.03908	15.1
175.07504	7.3
176.04660	2.1
176.08238	3.3
177.05426	2.6
178.09927	2.5
179.07089	3.5
180.08743	3.3
181.04991	18.6
181.08591	30.2
187.07532	10.9
188.08321	26.3
189.05478	9.1
189.09024	3.2
190.06206	14.4
191.07042	12.3
192.07703	1.9
193.08646	4.4
195.06596	1.8
198.06737	2.1
201.05508	2.9
201.08943	2.6
202.09874	7.7
203.07054	5.7
203.10666	2.4
204.07813	48.5
205.05176	1.9
205.08594	34.2
206.09027	2.8
207.06537	29.9
207.10138	3.5
207.13622	2.3
208.06958	2.2
217.08554	18.3
218.09401	3.4
219.10144	100.0
220.10524	4.0
223.09680	3.2
227.12845	1.8
231.10161	32.2
232.10524	2.4
233.08118	3.6
233.11711	2.8
235.07529	2.2
235.09645	8.1
247.09712	3.4
249.11218	21.7
261.11304	4.4
265.08334	2.7
265.10797	5.3
279.12335	23.8
283.09515	2.9
285.11316	3.6
291.09982	2.2
299.09167	11.3
301.07062	8.2
305.08029	2.6
309.11099	5.2
310.11819	2.5
313.06647	2.5
323.12704	2.2
325.10767	2.0
327.08615	3.4
327.12173	2.4
328.08920	3.7
329.10022	5.9
329.13596	2.0
339.12314	2.3
341.13873	8.7
344.12445	9.6
345.13095	5.4
351.12042	3.5
354.14346	2.6
357.13254	2.2
365.13608	2.4
370.14078	3.1
373.16425	20.1
382.14380	2.0
385.12619	5.0
385.16907	3.2
387.14404	2.8
397.16589	14.7
415.17581	15.2
416.17444	2.2
417.15475	2.8
612.23212	2.6
613.22247	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	613.155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.1
51.75616	0.3
52.74327	0.2
53.03945	0.8
55.01867	1.0
56.03418	0.2
57.03430	0.4
64.19289	0.2
65.03944	2.5
66.94639	0.1
67.05503	1.8
68.99782	0.2
69.03429	0.6
69.07062	0.3
69.41066	0.3
69.41471	1.0
71.01376	0.4
71.04999	0.2
77.03903	0.2
79.01813	0.2
79.05492	0.6
80.02646	0.2
81.03410	0.7
81.07049	0.5
83.01338	0.4
84.02106	0.2
85.02914	1.1
85.06537	0.2
91.05488	0.5
93.03400	1.0
93.07051	0.4
94.04179	0.2
95.04967	1.5
95.08617	0.4
97.02885	0.6
99.04462	0.3
103.05453	0.3
105.03376	0.3
105.04520	0.2
105.07027	0.7
107.04942	0.5
107.08603	0.4
108.02085	2.2
109.02901	0.4
109.06496	0.2
111.04455	1.0
112.01553	0.2
115.05464	0.4
117.06990	0.2
119.04924	0.3
119.08578	0.4
121.02863	2.5
121.03706	0.3
121.06503	0.2
121.10152	0.3
123.04446	0.8
125.02405	0.4
125.05971	0.6
127.03911	0.4
131.04950	0.2
131.08611	0.2
133.02837	0.5
133.06520	0.2
133.10114	0.2
135.04424	0.3
135.08028	0.2
136.01567	0.5
137.05963	0.7
139.03906	0.2
141.05452	1.8
143.08554	0.3
145.06531	0.2
145.10081	0.2
147.04428	1.0
149.09662	0.2
151.03905	100.0
151.04979	7.9
152.04228	3.1
152.05345	0.4
153.01807	0.9
153.05362	0.2
157.06508	0.2
159.08002	0.2
161.05991	0.4
163.03914	0.4
163.07541	0.2
165.05507	1.7
165.06801	0.3
165.09030	0.2
167.03403	3.3
167.07022	1.9
169.04959	0.5
169.08580	0.2
171.11581	0.2
173.06058	0.4
175.03815	0.3
175.07573	0.2
177.05453	0.3
179.03391	1.7
181.04921	0.6
181.08487	0.2
189.09132	0.2
197.04472	0.5
199.07542	0.5
203.07031	0.2
205.08598	0.2
207.06500	0.2
209.07980	0.2
227.07045	0.7
245.08124	0.5
255.06496	0.7
257.07980	0.4
271.14386	0.3
272.06760	0.8
273.07419	0.5
283.05850	0.3
287.05450	0.7
295.08093	0.3
299.05713	0.3
299.09113	0.7
299.12576	0.4
301.07053	71.7
302.07370	4.7
313.09213	4.2
314.09601	0.2
385.12762	0.3
402.43478	0.2
580.82489	0.2
595.21722	0.2
613.29675	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.7
53.03932	3.4
55.01868	4.1
55.05499	2.7
58.91234	0.7
59.04994	1.7
61.26907	0.8
65.03928	2.7
67.05495	3.7
69.03416	0.9
69.07051	1.2
69.62900	4.5
75.04457	1.2
77.03930	1.3
78.04689	1.1
79.05489	9.3
81.07043	1.8
83.04968	3.6
85.02882	1.0
91.05462	15.2
93.03381	1.9
93.07040	10.7
95.04968	6.4
95.08595	1.2
97.06519	1.6
98.23293	1.3
103.05457	14.6
105.04511	1.9
105.07021	22.8
106.04172	1.1
107.04964	8.6
107.08611	1.0
109.06537	0.9
110.03677	1.3
111.04449	1.8
115.05440	2.5
117.07014	2.2
118.04160	3.9
119.04905	5.1
119.08530	1.3
120.05714	2.4
121.06496	17.4
123.04412	5.9
124.05209	0.9
125.05983	2.5
125.36979	0.8
128.06203	3.4
129.07011	7.1
130.07747	1.0
131.04919	4.5
131.08554	2.8
133.05531	1.5
133.06476	19.5
133.10135	0.9
134.03665	1.3
135.04428	1.2
135.08055	4.1
137.05994	9.1
138.06685	1.0
139.03860	1.4
139.07523	1.5
140.04596	1.1
141.07019	1.0
143.08517	4.2
145.06454	2.6
145.10124	3.9
146.07292	1.9
147.04390	3.1
147.08034	1.5
148.05206	2.8
149.05978	7.1
150.06712	6.7
151.03897	2.4
151.07556	1.5
153.05420	3.7
153.06851	1.8
154.06267	5.7
154.07405	0.9
155.07039	1.7
155.08507	1.9
157.06459	6.5
158.07242	4.4
159.08017	2.0
161.06000	2.2
161.09612	5.7
163.07561	3.1
165.05583	1.4
165.06970	3.0
165.07745	1.1
165.09071	14.2
166.06247	5.3
166.07542	1.4
167.07034	30.6
167.08479	2.1
168.05678	1.5
168.07175	1.0
169.06415	1.5
169.10220	1.1
171.06650	1.6
171.08047	2.7
173.09619	9.2
174.06740	1.9
175.07550	3.4
177.05489	9.5
178.06261	2.0
178.07703	1.1
179.07013	4.6
179.08446	1.5
180.09250	1.1
181.03302	1.0
181.04979	26.4
181.06589	3.2
181.08577	46.7
182.05359	1.4
182.07257	2.1
182.08820	1.6
183.06514	1.2
183.08012	1.9
184.05170	3.1
186.06755	1.0
187.07518	1.4
188.08315	2.2
189.09090	18.0
190.09590	1.0
191.07031	6.2
191.08565	1.6
191.10629	1.4
192.07829	2.4
193.08588	100.0
194.07271	2.0
194.09093	5.2
195.06514	1.3
195.08040	6.8
195.10141	4.0
195.11691	1.2
196.08846	1.0
197.05914	2.1
197.09636	1.8
198.06738	1.9
199.07521	3.9
201.09102	17.1
202.09575	0.9
203.10640	0.9
205.08536	1.3
205.10257	1.1
207.08076	2.5
207.10014	1.7
208.08858	4.7
209.06111	1.7
209.08023	27.2
210.06740	5.0
210.08833	10.6
211.07610	4.0
211.09392	0.9
212.04741	0.9
212.08388	4.8
217.08568	3.1
218.07236	1.4
219.08228	1.1
219.10127	4.9
221.05910	1.4
221.09749	1.0
221.11693	18.7
221.13698	1.5
222.10300	1.6
223.07471	2.9
223.11316	5.4
224.08255	1.9
225.05513	1.9
225.09061	6.0
226.06172	2.4
226.09775	1.9
227.07085	5.6
227.10600	5.1
228.07716	1.5
229.04919	3.8
231.08035	1.3
231.10097	6.4
233.09555	2.1
233.11710	9.3
235.07504	2.9
236.08221	2.2
237.09062	2.7
238.06287	1.0
238.09859	0.9
239.07024	2.4
239.10672	1.6
240.07820	1.7
241.04854	1.5
241.08521	4.4
243.10085	1.5
244.07271	1.6
249.08867	1.9
249.11197	15.1
250.09869	2.2
251.10576	3.3
251.12805	5.9
252.07799	1.9
253.08572	3.6
254.05687	1.2
254.09399	2.4
255.06514	3.3
255.10133	8.4
255.13823	0.9
256.07260	1.4
256.10953	1.3
257.04343	3.1
257.07880	1.5
257.11758	3.3
258.08902	1.0
259.09637	8.0
261.09131	1.7
263.06952	1.6
265.08542	1.2
265.12210	1.3
267.10239	1.5
268.10947	1.2
269.08188	1.8
269.11740	2.3
270.08847	5.3
271.06769	1.3
271.09650	10.6
272.06870	1.9
272.10217	2.6
273.11176	1.6
277.08572	1.4
278.09384	3.0
279.10159	3.7
281.08112	1.3
281.11725	1.0
283.09952	1.4
283.13257	5.4
285.11191	7.2
286.08612	1.7
286.11920	4.8
287.09186	3.1
287.12723	11.4
293.11682	3.6
295.09518	1.3
297.11310	1.9
299.08923	1.5
300.06262	2.1
300.09689	1.1
307.09485	2.3
310.11902	1.1
311.12668	7.8
312.13345	2.0
313.10669	2.8
315.08801	7.5
315.12317	2.6
315.15707	4.6
319.11642	4.8
321.11203	6.1
325.14224	2.6
329.10205	10.0
329.13864	1.4
338.11383	1.2
339.12180	3.6
343.15381	72.5
344.15793	5.9
345.13287	16.0
346.13605	1.0
350.01337	1.1
353.13849	6.6
371.14899	34.9
372.15036	1.9
385.16446	8.7
386.16968	1.5
403.17294	3.7
405.18774	0.9
412.62830	0.9
431.20544	1.6
613.38232	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65885	1.4
52.75714	1.2
53.03943	4.3
53.30633	1.4
54.27298	1.4
55.01871	8.8
55.05515	6.4
57.03439	2.4
57.07076	3.4
59.05000	2.7
62.36452	1.6
62.70275	1.6
65.03962	2.3
67.05507	15.2
67.89550	1.4
69.03423	10.6
69.07069	9.9
71.04996	6.4
73.39797	1.5
75.78872	1.5
79.05506	10.9
81.03419	16.4
81.07053	18.8
83.04969	4.3
85.02897	6.9
85.06556	8.4
91.05473	9.3
93.07046	30.1
95.04952	6.4
95.08025	2.7
95.08607	36.3
97.02893	4.0
97.06523	10.8
98.22608	3.1
99.04454	9.4
103.05441	1.8
105.07027	25.3
105.42818	1.6
107.04931	3.4
107.08593	40.2
109.02869	17.0
109.06523	15.0
109.10135	3.3
111.08064	4.7
113.06001	4.9
117.07018	2.6
119.08585	18.8
121.06510	10.3
121.10148	31.3
123.04485	2.8
123.08063	22.8
123.11702	5.6
125.05999	2.7
127.03937	13.4
127.07564	3.0
129.07018	1.5
130.07791	1.8
131.04977	2.2
131.08577	4.1
132.05638	1.5
133.06471	3.6
133.10129	4.5
135.04459	1.9
135.08049	7.8
135.11685	9.2
137.05962	3.8
137.09604	5.7
139.11247	1.5
143.08554	1.5
145.10129	18.1
147.08058	4.3
147.11684	9.3
149.09615	87.9
150.05534	1.4
150.09892	2.1
151.03897	2.2
151.07518	9.0
156.09355	2.9
159.08073	2.6
159.11661	2.7
161.05956	2.4
161.09575	1.7
161.13206	9.4
163.11174	40.0
165.09094	3.5
165.12738	5.0
167.07010	2.4
167.10681	15.5
168.26187	1.6
169.08606	44.3
170.08934	1.6
171.11676	6.3
173.09653	2.3
174.10434	5.6
177.12799	2.1
179.07101	1.4
181.08617	3.4
181.12210	13.9
185.11707	2.9
189.09171	1.6
189.12758	35.0
191.10669	21.4
197.36836	1.6
207.13803	100.0
208.14143	5.2
209.11729	24.0
225.14825	3.8
227.12762	51.0
228.13232	2.2
228.74728	1.6
244.51482	1.5
261.55563	1.5
271.13214	1.7
277.10843	1.7
289.14105	1.9
303.04895	5.9
317.14322	1.6
335.15036	1.5
353.15836	17.8
371.16989	11.3
494.19748	1.8
613.30524	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07796	0.8
52.52279	0.7
53.03937	2.6
55.01867	3.4
55.05515	6.6
57.03428	2.8
63.38500	0.7
65.03934	3.4
67.05506	6.8
69.03429	13.7
69.07069	6.8
70.43092	2.2
71.04996	4.7
74.70956	0.7
79.05045	1.0
79.05492	13.8
81.03419	13.9
81.07050	14.4
83.04958	2.9
85.02908	5.8
85.06550	3.0
85.64532	0.9
91.05472	13.5
93.07045	46.7
94.07310	1.0
95.04989	7.5
95.08607	11.5
97.02885	5.5
97.06532	4.6
99.04465	5.2
103.05468	2.3
105.04494	0.9
105.07026	19.4
106.07365	0.8
107.04963	2.8
107.08594	45.6
108.08892	1.3
109.02882	8.5
109.06525	10.4
109.10145	4.8
109.98395	0.9
111.04414	1.9
111.08073	2.7
111.30130	0.8
115.05463	1.3
117.07008	3.3
119.04879	1.1
119.08588	18.9
121.02869	63.5
121.06509	11.5
121.10143	42.2
122.03187	2.1
122.10443	1.5
123.04430	2.4
123.08067	19.1
123.11685	2.5
125.05977	1.7
127.03923	7.5
127.07554	1.1
128.06276	0.9
129.06958	1.0
130.07765	2.4
131.04886	1.3
131.08586	3.7
132.05681	0.9
133.06456	1.3
133.10109	6.8
135.08051	24.3
135.10635	1.6
135.11685	33.5
136.11995	2.1
137.02330	0.8
137.05994	3.8
137.09613	17.7
139.03900	8.0
139.08922	0.7
139.11160	1.9
142.07813	0.7
143.08571	2.0
145.05006	1.0
145.06480	1.4
145.10109	12.6
147.08051	7.0
147.11693	8.2
149.09601	12.6
149.13251	2.2
151.03906	8.2
151.07544	4.5
151.11179	3.9
153.01811	2.9
156.09349	1.8
158.83354	0.7
159.08054	1.6
159.11693	3.1
160.08722	0.9
161.05933	2.1
161.09619	3.4
161.13297	3.8
163.03923	1.0
163.07463	1.1
163.11180	34.1
164.11536	1.8
165.05518	1.2
165.09119	22.3
165.12730	3.9
167.03418	1.6
167.07007	7.0
167.10672	12.6
169.04932	0.9
169.08606	12.5
171.11694	2.2
173.09550	1.5
175.07495	1.4
175.90158	0.8
177.05557	1.3
177.09230	1.0
177.12735	10.6
179.10713	1.8
181.05019	1.7
181.08673	2.1
181.12230	100.0
182.12590	3.3
189.09071	2.5
189.12720	12.1
190.09721	1.0
191.06967	1.3
191.10683	6.2
195.13803	2.7
199.52020	0.9
207.06534	1.4
207.13794	17.5
207.15610	1.4
209.11697	5.7
219.13669	0.9
225.14854	48.4
226.15236	2.1
227.12738	13.5
258.05209	2.0
265.07037	5.5
266.12555	1.0
271.05930	0.8
283.08145	1.5
285.11719	0.8
286.04749	4.4
287.05276	1.3
293.13922	1.1
298.04562	1.3
299.09100	1.3
301.07034	15.0
302.07349	2.0
303.04971	3.0
311.09357	2.1
315.05002	5.6
316.05688	2.4
331.08109	35.7
332.08389	3.4
353.15991	3.3
371.16949	2.0
403.17554	1.0
404.17691	2.1
613.28345	13.9
614.29004	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	613.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97403	2.1
53.03934	6.2
55.01870	9.6
55.05505	14.8
56.37727	2.6
57.03419	5.8
63.30602	2.4
65.03928	3.3
67.05508	18.4
69.03432	12.1
69.07062	21.6
69.49201	15.0
71.04978	11.4
76.25533	2.4
76.36301	2.6
79.05492	19.7
81.03427	24.6
81.07048	30.6
82.96852	2.6
83.04980	7.9
85.02901	9.2
85.06535	10.2
87.04482	2.9
91.05457	24.0
93.07040	40.3
95.04962	18.9
95.08600	41.2
97.02874	5.4
97.06532	22.3
97.10150	6.0
97.95316	2.5
99.04434	7.3
103.05449	5.0
105.07025	38.5
107.04948	7.4
107.08588	57.4
109.02869	18.3
109.06512	47.8
109.10120	16.0
111.04421	4.5
111.08077	5.9
115.05424	3.9
117.06991	11.9
119.04944	3.9
119.08553	34.8
121.02867	7.5
121.06489	16.6
121.10136	36.8
123.04418	6.2
123.08063	12.9
123.11668	3.8
125.05984	2.9
125.09655	2.8
127.03889	13.3
128.06213	3.4
129.06963	4.2
130.07777	4.7
131.04948	5.8
131.08566	17.3
133.06487	4.0
133.10120	9.1
135.04398	12.9
135.08037	25.0
135.11653	12.0
137.05959	25.3
137.09573	19.7
139.03900	2.5
139.07486	12.9
139.11191	5.5
143.08557	13.4
145.06441	4.2
145.10115	34.6
147.04453	3.6
147.08057	13.6
147.11674	20.6
149.05940	4.8
149.09592	30.0
149.13274	3.2
151.03860	8.8
151.07518	9.9
151.11211	3.5
153.01758	3.5
153.05435	7.1
156.09315	8.4
157.10117	2.7
159.08025	3.0
159.11649	17.4
161.05978	3.9
161.09628	7.0
161.13232	6.9
163.03902	4.9
163.07529	7.2
163.11148	44.0
165.05473	3.4
165.09137	17.7
165.12729	4.1
167.07082	13.7
167.10678	15.6
169.08588	45.3
169.09979	5.2
170.54257	3.1
171.11708	23.7
173.09593	4.2
173.13228	2.9
175.07455	2.8
177.05464	5.3
177.12740	21.2
179.06996	3.8
179.10672	3.3
181.04985	4.9
181.08505	2.8
181.12244	20.7
189.09099	3.7
189.12732	38.1
190.19855	2.9
191.07008	4.5
191.10660	19.7
203.10704	3.9
203.14445	3.0
207.13788	100.0
208.14111	4.0
209.11670	16.9
225.14810	23.0
227.12755	41.3
227.14775	4.5
256.07236	2.7
279.12842	2.4
299.09122	17.6
303.04898	3.4
315.08463	3.6
317.13959	4.6
329.10117	6.3
330.10580	5.2
331.10849	5.6
339.12241	3.4
353.15906	11.3
371.16946	11.2
397.31079	4.2
482.42355	2.8
571.60370	2.7
613.31348	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	613.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	2.6
55.05507	5.9
59.05015	1.9
59.63426	1.4
63.44743	1.7
67.05511	6.6
69.03430	10.4
69.07068	6.7
70.56750	3.5
70.57088	2.8
71.04996	11.1
79.05492	36.9
81.07066	10.6
83.01340	2.4
83.04997	3.3
83.08651	1.9
91.05474	23.8
93.06446	3.1
93.07044	65.2
95.04962	7.6
95.08607	9.9
97.06541	5.5
97.10150	2.0
103.05443	1.7
105.04526	1.6
105.07042	23.2
107.08592	42.2
108.08947	2.0
109.06540	4.0
109.10165	4.4
111.08109	3.0
117.07061	4.0
119.08602	10.1
121.06516	3.7
121.10158	13.3
123.08072	2.7
123.11738	3.8
125.02370	2.4
129.05487	3.0
129.07025	3.9
131.08559	13.0
133.10124	32.1
135.08040	3.3
135.11694	77.5
136.12047	4.0
137.09639	11.7
137.13225	1.9
138.10007	2.1
139.11200	7.1
143.08540	2.6
145.10132	8.9
147.08061	6.7
147.11693	2.9
149.09547	8.5
149.13242	2.5
151.07652	1.9
151.11160	3.0
153.01918	1.8
153.05461	2.1
155.08574	2.1
157.10124	1.7
159.08142	1.9
159.11736	3.0
161.09631	3.6
161.13286	3.0
163.11192	2.6
163.14816	3.5
165.09076	2.3
167.10709	5.8
171.11702	4.3
173.09607	4.4
173.13278	5.8
175.07518	3.0
175.14853	2.0
183.11705	3.0
185.13306	2.1
187.14848	5.2
189.12756	4.4
191.14330	4.6
193.08604	2.8
195.10167	1.9
201.09215	1.8
203.07031	1.6
203.14297	2.7
205.15831	2.6
207.13885	3.6
209.15517	2.0
211.09619	4.3
215.14336	2.1
217.12167	2.7
219.13774	2.0
231.13762	2.0
233.15434	2.1
235.13348	10.0
237.14804	16.3
241.12407	1.8
243.13850	5.4
249.07498	2.1
249.14772	3.7
253.12463	2.4
261.14786	8.5
271.13361	3.0
275.12805	1.9
285.18719	1.6
289.14407	3.5
291.12183	2.3
297.15155	2.1
297.18558	3.4
303.19531	3.4
313.17908	7.7
315.19666	4.6
331.19324	2.1
339.19547	3.0
341.17407	3.4
353.25061	1.9
359.18631	7.9
367.22852	3.0
377.19568	3.4
381.24219	3.3
389.15720	2.5
413.23123	3.0
423.28876	33.4
424.29242	2.2
435.28833	3.2
451.28531	2.4
453.16400	1.7
461.21585	2.5
461.27368	2.3
467.27737	8.1
469.29501	100.0
470.29871	15.2
479.28079	2.0
507.27518	3.6
531.57544	1.6
533.32971	3.0
549.31818	3.7
551.33423	3.8
577.32300	2.9
595.32526	3.6
613.33875	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.0
55.01857	9.7
55.05502	14.7
57.03435	5.4
57.07062	11.0
59.04998	6.7
65.03931	5.9
65.95834	3.7
67.05504	50.8
69.03437	24.7
69.07057	22.1
69.25275	31.1
71.04996	54.5
79.00575	3.2
79.05491	55.3
81.07053	61.7
82.07330	3.8
82.51677	3.7
83.04992	20.2
83.08597	10.4
85.06542	10.9
91.05472	57.1
93.07047	67.6
95.04985	24.1
95.08612	42.3
97.06537	31.2
97.10180	11.5
99.08090	14.9
103.05438	3.9
105.04510	5.9
105.07040	65.7
107.04998	5.9
107.08595	57.1
109.06534	21.6
109.10164	36.4
111.04442	6.6
111.08104	10.3
113.05991	10.4
115.05470	6.2
117.07014	14.4
119.08590	49.4
121.06504	22.0
121.10126	38.9
123.04436	9.7
123.08095	19.3
123.11698	12.5
125.05995	4.0
125.09644	8.8
127.07527	7.4
128.06189	4.4
129.07013	15.1
129.87103	3.6
131.08574	32.2
133.06471	17.7
133.10117	64.2
135.08043	21.1
135.11707	33.9
137.06001	8.5
137.09612	75.7
139.11177	26.2
141.05449	11.6
143.08563	9.4
145.06482	6.3
145.10120	14.9
147.08035	31.4
147.11699	9.6
149.06013	6.4
149.09610	40.3
149.13300	4.7
150.10361	7.5
151.07523	8.4
151.11197	67.2
151.12395	4.3
152.11414	5.2
153.05463	12.4
153.09097	5.4
155.03323	4.7
155.08499	5.7
155.10648	15.2
157.04970	8.3
157.06572	4.6
157.10063	6.1
159.08060	13.0
159.11674	7.8
161.06068	8.2
161.09621	16.1
161.13249	9.7
163.07542	9.4
163.14764	5.0
165.09117	9.9
167.10706	20.1
171.08105	5.9
171.11685	8.1
173.09604	10.6
173.13274	12.9
175.07550	16.6
175.11128	7.4
177.09151	13.9
179.07094	9.0
179.14365	6.0
181.08650	5.0
183.11673	5.7
185.09666	8.2
185.13208	8.3
187.07422	6.0
187.11212	10.1
189.05283	4.9
189.09151	8.4
189.12820	12.9
191.07024	14.5
191.10637	5.0
191.14337	7.9
193.08594	13.8
193.10204	4.3
193.12170	6.4
195.10150	6.1
197.08081	8.3
197.09674	10.7
199.11200	12.3
201.12735	9.2
203.07037	17.4
203.14359	6.0
205.12267	6.7
207.13820	13.0
209.07983	7.0
209.15425	12.5
211.07780	5.3
211.09555	24.8
211.11285	4.0
213.12712	7.7
215.10617	10.4
215.14322	4.9
217.12196	18.4
219.10196	6.4
219.13866	19.8
221.08023	7.3
221.28188	4.6
223.09401	5.4
223.11328	7.9
225.09138	6.4
226.09764	6.2
227.10890	9.4
229.12267	8.7
231.13710	5.5
233.11699	5.4
233.15477	4.7
235.11121	8.1
235.13185	37.5
237.13016	3.6
237.14864	95.2
238.15170	6.5
239.10664	11.7
241.12227	21.2
243.13815	17.1
245.11826	5.4
247.13214	14.7
249.14925	10.6
253.12257	9.8
257.11584	7.1
257.15393	6.3
259.13303	45.7
261.14893	14.1
265.14432	9.9
265.60529	3.9
267.10120	5.2
269.11755	5.9
271.13388	18.2
273.14877	5.8
275.12906	7.2
277.14227	5.2
283.17090	7.9
285.14844	8.2
289.14423	27.7
295.17020	4.5
301.18182	6.4
307.15524	14.0
309.14819	9.5
309.18350	5.0
311.16513	14.9
313.17981	6.6
323.16287	7.5
325.18091	5.5
327.15753	4.1
329.17456	40.8
331.19180	9.0
337.14212	6.2
339.15936	7.5
341.17395	11.8
351.19565	17.9
355.15344	5.8
357.16846	10.9
359.18738	7.7
377.19977	4.5
379.18973	11.9
385.16666	12.6
389.17416	10.0
395.22046	9.5
399.17725	8.4
405.19797	4.7
407.18457	33.6
423.21530	6.5
425.19583	100.0
425.24228	3.5
426.19684	12.3
427.21231	7.2
437.23199	7.1
438.23932	5.1
441.22632	6.7
445.22327	8.5
465.22409	26.5
471.24826	7.9
479.28055	7.5
481.29282	7.8
483.23514	5.5
489.26212	12.9
499.30618	5.3
507.27359	33.2
508.27740	5.7
517.25824	16.8
525.28442	35.4
526.29199	6.3
535.27081	44.5
536.27118	7.8
541.29614	6.3
543.29437	36.6
544.29541	5.7
549.32025	5.0
553.27832	12.7
559.30524	24.5
577.31720	50.9
578.31720	10.3
595.32605	31.9
596.32764	4.9
613.34009	25.8
613.48932	6.6
614.34686	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	613.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02351	1.2
51.04908	1.1
53.03949	3.6
55.01881	3.1
55.05514	12.4
57.03432	2.6
57.07073	1.9
59.05004	3.3
63.95241	1.4
65.03941	2.4
67.05503	23.4
69.03426	10.0
69.07064	16.7
69.14697	9.8
69.15102	1.6
71.04995	13.8
77.03944	1.7
79.05491	53.1
79.05958	2.8
81.03444	2.3
81.07057	33.9
83.01337	3.8
83.04981	6.2
83.08627	6.3
85.06531	2.2
87.04474	2.0
91.05477	30.0
93.07043	88.9
94.07368	1.7
95.04966	10.3
95.08600	19.9
97.06534	9.9
97.10167	7.0
99.04472	1.6
99.08048	2.1
103.05468	2.4
105.04545	2.8
105.07021	23.8
107.04941	2.4
107.08592	61.0
108.08982	1.7
108.90073	1.2
109.06535	5.4
109.10149	12.5
111.04428	1.4
111.08092	3.8
111.11743	1.6
113.06012	4.0
113.09654	1.8
115.05494	1.5
117.07035	3.8
119.08591	17.2
121.06506	5.8
121.10143	21.6
123.04501	1.4
123.08062	6.1
123.11687	7.4
125.02359	3.6
125.05991	1.8
125.09608	6.8
127.03984	2.2
127.11174	1.5
128.06291	1.5
129.05489	3.2
129.06992	8.4
131.04922	1.2
131.08566	19.1
133.06497	3.6
133.10127	29.8
135.08060	5.5
135.11690	100.0
136.12038	3.8
137.06012	2.7
137.09621	19.9
137.13235	2.9
139.03880	3.3
139.11177	14.6
141.05467	2.2
143.08597	6.4
144.09375	1.6
145.06494	2.2
145.10132	8.0
147.08037	11.6
147.11697	4.1
149.02287	1.7
149.06035	2.1
149.09630	12.9
149.13318	2.8
150.10410	4.2
151.07574	5.4
151.11206	9.9
153.01851	3.4
153.05547	1.4
153.09113	3.2
155.08530	3.3
155.10645	3.2
156.09355	3.4
157.04938	1.3
157.10135	4.4
158.10878	1.8
159.08026	4.3
159.11719	3.1
160.08806	1.4
161.06023	3.0
161.09566	2.5
161.13260	3.8
163.07504	2.8
163.11115	1.5
163.14836	4.3
165.09137	4.0
167.08531	1.9
167.10675	8.3
169.10126	1.9
171.06589	2.3
171.08052	1.9
171.11688	4.0
173.09598	3.0
173.11948	1.4
173.13223	6.0
175.07500	6.6
175.11211	2.1
175.14859	2.2
177.09087	3.6
179.07022	2.7
183.08093	2.9
183.11707	3.3
185.09717	1.7
185.13231	2.5
187.07550	1.6
187.11229	2.1
187.14861	3.5
189.09091	2.8
189.11203	2.9
189.12782	4.5
191.07047	3.1
191.10715	1.8
191.14333	5.5
193.08612	3.3
193.12285	2.0
195.13788	1.5
196.08836	1.7
197.07986	2.5
197.13208	1.4
199.07584	1.4
199.11220	3.1
199.14977	1.7
201.12724	3.4
203.07097	1.4
203.14294	1.8
205.08604	1.6
205.15892	2.3
207.06523	1.8
207.13759	3.7
209.08037	1.6
209.15401	4.9
211.07617	1.7
211.09668	4.8
211.11378	2.6
213.09097	1.5
213.12749	3.6
215.14307	6.8
217.12224	4.0
219.13895	3.5
221.15335	2.5
225.07504	5.4
225.12840	2.7
226.09964	1.5
227.10768	2.0
229.12340	2.9
231.10149	1.7
231.13864	3.1
233.11763	1.8
233.15396	1.9
235.11179	2.7
235.13290	15.8
237.12738	2.0
237.14824	30.4
239.14165	1.8
241.12299	2.8
243.13795	6.8
243.21016	2.0
245.15405	2.9
249.07576	1.7
249.14897	4.1
253.12213	3.4
255.13902	2.5
257.11835	1.5
257.15469	2.3
259.13254	6.4
261.14816	8.8
261.22162	4.1
263.19977	1.6
265.14389	2.4
267.17563	1.8
271.13315	5.8
273.11261	1.6
273.14661	1.4
275.12726	1.9
279.23096	11.9
281.21249	2.0
289.14355	4.1
295.16867	2.0
297.18594	2.4
297.24225	6.3
303.12268	1.6
303.19620	2.0
307.15698	1.6
309.14682	2.0
311.16452	2.5
313.18027	6.2
315.19598	4.3
319.11838	3.1
325.18274	1.6
329.17566	5.3
331.19104	5.7
341.17493	6.4
342.17426	1.3
347.18884	2.2
351.19537	1.6
357.16696	2.6
359.18484	13.4
360.18561	2.0
373.16168	2.2
377.19687	7.1
379.19028	4.0
385.16934	1.8
389.15952	2.8
399.17978	2.0
407.18768	7.0
417.34003	1.8
421.32898	2.4
423.28506	1.4
425.19537	17.8
427.20633	1.8
431.31693	1.9
435.34836	1.6
437.22922	2.0
441.22458	1.8
445.22437	1.9
461.21231	3.1
461.26901	2.0
465.22763	3.2
469.29233	8.6
479.27887	3.6
489.26443	3.7
490.27008	1.6
507.27335	9.0
517.25867	1.9
525.28522	3.8
533.32330	3.6
535.26825	6.0
541.29608	1.7
543.29578	3.1
549.32312	2.2
551.33441	3.2
559.30603	4.6
559.43506	1.3
577.31641	13.3
595.33350	7.1
596.33087	1.7
613.33618	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	613.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	1.4
53.03940	6.2
55.01870	3.4
55.05512	14.1
56.05845	1.4
57.03428	3.1
57.07076	4.8
59.05006	2.3
65.03949	2.0
67.05158	2.6
67.05505	31.8
68.05834	3.4
69.03419	9.5
69.07077	22.6
70.56886	4.0
71.04993	14.4
77.43087	1.6
79.05493	54.4
80.05835	3.3
81.07059	44.3
82.07383	5.8
83.01338	4.4
83.04974	6.9
83.08633	4.2
85.06536	2.2
87.04469	2.0
91.05483	34.0
91.06048	2.0
93.07048	84.4
94.07370	4.4
95.04977	10.5
95.08614	27.1
96.08936	6.3
97.06535	9.1
97.10164	2.6
103.05408	1.5
105.04527	2.2
105.07040	32.3
106.07363	2.0
107.04948	2.4
107.08599	58.4
108.08855	2.5
109.06506	5.2
109.10174	17.4
110.10506	3.1
111.08092	4.1
113.05997	2.9
115.05439	1.6
117.07014	4.6
119.08594	18.6
121.06509	6.4
121.10146	24.6
122.10477	2.4
123.08054	5.8
123.11712	6.6
124.11989	1.6
125.02363	3.0
125.05962	1.8
125.09579	3.3
125.12505	1.9
128.06299	1.9
129.05531	2.3
129.07011	5.1
131.08572	21.3
132.08875	2.6
133.06503	2.1
133.10135	34.6
134.10423	2.6
135.08054	6.2
135.11696	82.5
135.30759	1.7
136.12059	4.3
137.05986	5.3
137.09612	13.7
139.07564	1.9
139.11177	9.8
141.05486	2.2
143.08566	5.9
145.06512	2.1
145.10138	11.8
147.08063	9.5
147.11731	6.2
149.09616	14.2
149.13255	3.0
150.10422	2.1
151.07527	3.5
151.11191	3.3
153.01788	1.8
153.05515	3.5
155.08577	2.8
157.10170	2.2
159.08054	4.8
159.11694	4.7
161.06006	2.0
161.09648	4.7
161.13252	6.2
163.07578	2.0
163.14818	2.9
165.09129	5.4
167.03355	1.6
167.08530	1.8
167.10674	5.1
169.10130	3.7
171.08046	2.2
171.11722	6.3
173.09642	3.1
173.13252	7.0
175.07570	4.2
175.11252	2.5
177.09109	3.4
179.10715	2.1
179.14232	1.9
185.13345	3.4
187.11198	2.6
187.14749	7.6
189.09074	2.7
189.12788	4.7
191.07034	1.8
191.10637	3.3
191.14310	4.8
191.82324	1.6
193.08598	10.9
193.12288	1.6
197.13219	2.1
197.97868	1.4
201.09126	2.2
201.12735	2.7
203.10609	1.5
203.14281	1.8
205.08607	3.7
205.15883	2.3
207.10287	1.7
207.13806	2.0
209.08035	1.8
209.13348	1.7
209.15366	4.2
211.09589	16.3
214.72867	1.4
215.10544	1.5
215.14305	7.1
217.12148	3.1
219.10225	3.6
219.13771	3.4
221.08025	3.1
225.07608	2.8
227.14349	2.1
229.08577	2.3
229.12282	2.5
231.10191	2.3
231.13832	4.7
233.15421	2.1
235.13312	11.7
237.14845	18.5
241.12428	2.2
243.13785	5.7
243.21004	2.9
244.21410	3.0
247.13364	2.7
249.14821	2.9
253.12183	3.3
259.13254	2.4
261.14984	7.5
261.22186	4.7
262.22559	4.1
263.22760	2.6
271.13297	4.4
275.12701	1.9
279.23218	11.6
280.23627	9.6
281.23938	3.4
289.14331	4.2
295.17007	2.1
297.11398	1.8
297.18423	2.1
297.24368	2.6
301.17941	2.7
303.19708	2.8
313.17969	5.9
315.19531	4.3
327.52628	1.8
329.17398	3.0
331.18985	4.4
339.19440	4.0
341.17532	4.1
343.19168	3.6
359.18445	7.8
377.19617	6.3
381.24249	2.2
423.28983	24.4
424.28983	2.2
429.22601	2.0
434.09088	1.8
441.29965	2.6
451.28372	3.7
463.28244	2.1
467.27982	8.7
469.29514	100.0
470.29971	13.0
507.27795	3.4
525.28387	2.2
541.44733	1.8
559.46002	3.4
579.32788	2.3
595.32538	4.5
613.33624	9.1
613.49597	3.0
614.45905	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	9.0
55.05508	7.9
57.03441	3.7
57.07064	11.2
57.60464	2.7
59.18011	2.9
67.05506	19.3
69.03465	4.4
69.07057	15.5
69.92455	3.3
71.04990	5.6
73.04752	5.7
74.79308	2.6
79.05490	53.6
81.07056	17.2
83.01360	3.4
83.08604	3.1
85.06544	12.8
86.18259	3.2
91.05442	29.8
93.07043	88.1
94.07351	3.4
95.04954	10.8
95.08596	9.5
97.06549	8.2
105.07023	22.0
107.07928	5.7
107.08601	62.2
108.08868	3.3
109.06495	4.3
109.10155	10.6
113.05995	5.8
119.08601	7.3
121.06494	4.0
121.10151	10.9
123.11698	4.3
125.05939	3.5
131.08574	7.2
133.10123	13.0
135.08084	4.0
135.11691	71.4
137.05965	10.7
137.64450	2.6
139.11212	3.7
141.05452	8.9
145.10161	3.7
147.08012	4.1
149.09639	4.0
151.07542	3.5
153.05466	43.8
165.05449	5.5
165.09103	10.7
165.90936	3.4
167.10606	4.0
169.04932	17.4
175.07608	3.8
179.10631	3.2
191.06976	4.1
193.08617	26.3
205.08543	7.5
207.10173	13.5
211.09647	80.6
219.10069	3.2
223.09706	9.9
225.11223	100.0
226.11626	7.2
237.11224	7.3
237.14819	13.4
251.16451	10.4
261.14749	2.9
275.16394	33.8
279.15918	10.6
345.20593	11.8
356.07071	5.4
357.06778	5.7
358.06790	5.5
359.22226	6.6
443.24280	24.1
458.00259	3.3
595.35309	11.5
595.44586	3.5
613.36469	11.7
613.48193	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	613.4822
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03937	2.0
55.01874	2.7
55.05515	21.5
57.03428	4.8
57.07068	4.5
64.92354	1.6
65.03911	2.0
67.05508	65.0
69.07072	23.0
71.01387	1.6
71.08619	4.1
79.05496	33.3
81.07056	71.0
82.07400	2.2
83.04976	3.4
83.08611	11.0
89.06046	3.5
91.05485	29.5
92.03325	1.6
92.05793	2.0
93.07047	42.4
95.08608	61.3
96.08951	2.6
97.06541	4.6
97.10184	9.1
99.08076	3.2
103.05540	2.0
105.04544	2.0
105.07036	30.8
107.08588	24.9
109.06567	2.8
109.10167	31.6
111.08117	2.0
111.11732	1.9
117.07057	10.0
119.08582	23.4
121.10146	29.6
123.11731	12.9
129.07040	3.8
131.08571	17.5
133.08624	3.3
133.10138	25.0
135.11688	18.9
137.13240	3.8
143.08527	9.3
145.10127	21.5
147.11688	17.0
149.13228	9.0
151.11198	2.5
155.87593	1.9
157.10115	5.7
159.11674	18.9
161.13269	11.9
163.14816	7.1
169.10110	4.1
171.11696	8.2
173.13225	14.1
175.14882	7.6
177.16508	2.4
179.14340	7.9
185.13254	4.5
187.14850	7.8
189.16425	4.2
199.14906	3.5
201.16429	4.3
215.17889	2.2
219.17575	1.9
241.19589	2.9
243.21054	3.5
247.20554	2.1
259.20560	9.9
261.22134	14.5
263.23813	2.8
275.20175	3.0
277.21591	6.9
315.23242	1.7
317.24683	2.5
333.24216	8.2
335.25800	18.4
337.27383	8.8
346.39752	2.2
521.43567	5.9
539.44281	3.6
595.47174	10.7
596.47546	3.2
613.48248	100.0
614.48444	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	613.4819
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
50.10521	1.1
51.02384	1.8
51.60172	1.2
53.03946	4.1
55.01870	2.2
55.05511	27.1
57.03429	9.4
57.07070	6.6
60.65955	1.1
65.03947	4.1
67.05505	79.9
68.05827	1.6
69.07069	26.2
71.05013	1.8
77.03918	1.2
79.05491	52.8
81.07056	86.0
82.07376	1.8
83.04990	3.3
83.08619	13.2
85.06539	2.5
91.05481	40.9
91.06057	2.0
93.07043	60.8
94.07393	1.4
95.04961	5.0
95.08603	66.6
96.08936	2.5
97.06535	3.8
97.10165	6.2
99.08083	1.8
105.04533	1.7
105.07027	43.2
107.08596	37.1
109.06518	1.7
109.10153	25.4
111.08105	2.0
113.09644	1.5
117.07015	17.9
119.08576	38.1
120.08912	1.6
121.10146	29.3
121.10983	1.9
123.11700	11.7
125.09627	1.4
128.06229	1.5
129.06969	8.5
131.08575	31.9
133.10129	30.9
135.11678	17.9
137.13237	6.4
139.11212	1.3
141.06932	1.5
143.08563	7.1
145.10124	26.4
145.69588	1.2
146.10507	2.0
147.11693	22.5
149.13242	10.6
151.14851	2.1
155.08601	3.9
157.10121	9.1
159.11688	19.8
160.11955	1.4
161.13248	14.9
163.14784	5.6
169.10107	2.2
171.11670	9.4
173.13263	15.7
175.14792	5.8
177.16396	2.2
179.14351	1.6
183.11717	3.5
185.13260	8.0
187.14822	9.5
189.16403	3.1
197.13341	2.8
199.14888	5.5
201.16443	4.2
211.14806	1.7
213.16435	2.4
215.17946	1.9
217.19525	2.0
222.09741	1.3
228.76642	1.2
229.19669	1.2
241.19624	5.5
243.21132	3.7
247.20631	2.3
259.20569	11.1
261.22141	14.6
262.22580	1.9
263.23621	2.3
273.22131	1.7
285.22244	1.3
287.23642	1.6
299.23779	3.2
313.25305	1.8
315.23566	2.1
315.26828	2.0
317.24911	3.2
333.24237	7.4
335.25745	20.9
336.26224	2.5
337.27338	11.7
355.30032	1.9
437.34012	1.4
451.35150	1.5
451.48068	1.4
517.38904	1.9
521.43427	7.7
529.38403	1.5
531.40314	1.5
539.44440	4.2
543.40289	2.7
595.47174	13.7
596.47192	3.0
613.48236	100.0
614.48596	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	613.5023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.9
55.01863	4.4
55.05249	1.9
55.05508	33.3
57.03429	3.9
57.07067	5.3
58.16154	1.4
59.04984	1.6
65.03925	3.7
67.05501	82.0
68.05840	2.3
69.07067	39.5
69.40531	1.3
70.63664	1.3
71.04974	6.1
71.08611	1.6
73.06584	1.5
75.29836	1.2
79.05029	2.0
79.05489	36.2
80.05820	2.0
81.07051	100.0
82.07372	2.7
83.04959	3.0
83.08617	22.6
85.06537	5.1
89.06027	2.9
91.05466	17.7
93.07039	41.9
94.07359	2.7
95.04945	3.8
95.08600	79.4
97.06521	10.4
97.10159	14.8
98.22543	2.4
99.08071	2.8
105.07019	14.6
107.08584	29.4
109.06537	2.4
109.10154	39.4
111.08077	3.4
111.11710	2.2
113.09590	1.6
115.40675	1.2
115.45329	1.3
115.51183	1.2
116.08135	1.1
117.07007	4.4
119.08566	13.5
121.10138	27.9
123.08071	3.0
123.11707	13.8
125.09645	3.9
127.11272	1.2
127.79050	1.3
131.08562	8.3
133.10149	13.7
135.11685	23.6
136.11958	1.5
137.09599	3.6
137.13240	7.2
137.58217	1.3
139.11172	3.8
140.99614	1.2
145.10110	6.6
147.11647	12.7
149.09619	2.1
149.13286	9.8
151.11145	1.8
151.14807	3.6
155.10579	1.5
159.11678	5.6
161.13243	11.5
163.14819	5.0
165.12735	3.3
165.16403	2.1
167.14284	1.7
173.13240	4.5
175.14793	3.6
179.14291	2.7
187.14897	3.4
189.16321	1.7
209.15140	1.5
223.16965	2.7
226.02814	1.5
243.21115	7.5
245.14711	1.3
245.22733	6.5
251.24049	1.1
261.22156	15.8
262.22495	2.6
263.23700	10.3
279.23169	68.7
280.23395	4.2
281.24814	4.5
297.24185	11.3
361.34634	1.6
374.92236	1.3
432.18387	1.3
469.29367	3.0
474.47644	1.4
523.44946	3.5
524.46021	1.5
541.46259	13.6
559.47107	8.4
560.47272	2.5
577.47815	4.6
613.48688	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.4
52.04176	0.2
53.03939	0.8
55.01851	0.2
55.05503	0.2
57.03431	0.3
67.05489	0.3
69.03427	2.9
69.94215	0.2
71.04979	0.3
71.31584	0.2
71.32040	0.3
75.25078	0.2
79.01849	2.1
79.05482	0.4
81.03413	4.3
83.04971	0.8
85.02907	3.7
91.05465	0.5
93.07037	0.7
95.04967	1.1
97.02890	3.0
97.06531	0.3
99.04459	0.5
102.73344	0.2
105.07021	1.1
107.01305	1.2
107.04982	0.3
107.08581	0.5
109.02876	4.3
109.06525	0.4
109.10165	0.3
111.04438	0.6
119.08578	1.1
121.06509	0.5
123.04395	0.3
123.08066	1.0
125.02357	2.8
127.03911	6.8
131.08513	0.6
133.10132	0.3
135.08006	0.4
137.05981	0.3
137.09608	0.6
139.03903	1.4
143.03409	3.4
143.08517	0.3
145.04936	0.7
145.10133	0.7
147.08060	0.4
153.01825	100.0
153.02856	3.6
154.02177	2.4
157.10138	0.5
159.08081	0.5
159.11745	0.7
161.09624	1.3
165.09120	0.9
171.02888	11.1
171.11746	0.4
172.03198	0.5
173.09589	0.3
173.13269	0.4
175.07558	0.6
184.52136	0.2
187.11182	0.3
189.09148	0.8
189.12640	0.2
199.11134	1.5
199.12706	0.2
201.12723	0.4
203.10577	0.4
207.10135	0.3
211.11154	0.7
213.03979	0.3
217.12267	0.6
225.11151	0.3
229.12218	0.7
233.04477	0.2
247.13269	4.5
248.13737	0.3
261.04083	0.3
265.14352	2.2
279.04913	1.2
297.06049	4.4
315.07086	22.5
316.07507	1.2
334.55826	0.3
389.86545	0.2
401.76120	0.2
442.52121	0.3
615.19000	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97239	1.1
53.03940	1.6
55.01877	1.0
65.03936	5.1
67.05503	1.6
69.03419	1.9
70.53891	3.1
79.05491	10.4
81.03410	5.5
81.07050	1.9
82.04202	1.1
83.04985	1.5
85.02910	5.6
86.79660	1.0
91.05472	3.5
93.07041	1.5
95.04970	4.4
97.02906	1.5
97.06498	1.5
99.04435	1.0
103.05502	2.2
105.07017	3.1
107.04248	2.2
107.04955	31.4
107.05679	1.5
110.03687	2.1
115.05463	3.6
117.07001	6.4
119.04934	1.5
121.06487	2.0
121.10168	1.2
122.03600	1.2
123.04470	2.0
124.05201	6.0
125.05989	2.7
128.06219	1.2
129.07010	3.6
131.04915	2.9
131.08517	1.2
133.06493	4.3
135.04413	2.1
136.56860	1.0
137.05994	6.6
137.64880	1.0
139.03908	1.1
139.07570	2.1
140.04646	1.2
141.06964	1.8
142.02615	2.6
143.04903	2.1
144.05713	4.8
145.06485	9.5
147.04361	1.4
149.05981	1.4
151.03973	1.8
151.07527	4.9
152.04704	2.9
153.05464	2.1
155.06041	1.8
157.06512	3.2
159.08005	2.3
161.05978	8.0
163.07504	2.8
165.09111	3.7
167.07040	100.0
168.07378	3.6
171.06561	2.8
172.05183	4.7
173.05948	5.6
174.06674	1.3
175.07547	2.6
177.05490	1.2
177.09050	1.5
179.06990	1.5
181.04964	81.8
182.05231	1.5
183.06822	1.1
187.07533	7.6
189.05489	4.2
189.09079	2.8
190.06171	2.4
191.06981	1.9
191.10657	2.7
195.06541	2.9
195.08183	1.7
200.04669	1.6
201.05472	8.0
203.07088	2.7
203.73790	1.0
205.08633	7.2
206.05707	1.9
207.06387	1.1
207.10188	1.8
215.07016	1.2
217.08638	1.9
217.12027	1.4
218.05688	6.4
219.06512	2.8
219.10164	4.2
221.08020	9.7
221.09709	1.0
233.08080	42.5
234.08521	2.6
235.07336	2.0
235.09647	27.0
235.13254	2.0
236.10069	1.7
245.08058	3.1
247.07445	1.2
251.06812	1.6
251.09145	14.3
253.14337	2.3
255.10168	1.2
262.98032	1.1
263.09158	9.2
279.10410	1.4
280.07230	1.5
281.10291	5.7
285.11310	1.7
287.12930	1.5
291.06223	1.2
295.09656	2.0
307.09805	1.2
313.14246	3.2
323.08932	1.4
324.09973	1.3
330.14627	2.5
331.08167	2.6
331.15393	2.7
339.12167	1.6
346.10767	1.4
355.11612	2.5
367.11829	1.9
371.15057	1.5
372.11789	1.5
381.13428	3.1
384.11978	1.3
387.14267	8.9
399.14453	10.4
405.19336	8.1
417.15433	68.0
418.15884	5.6
435.16580	6.5
495.07822	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.1
55.01870	2.6
57.03438	3.9
59.05004	0.5
60.04518	0.5
61.02930	1.1
65.03946	0.9
67.05497	0.9
69.03432	12.1
69.07051	0.5
70.14165	1.7
71.05006	0.8
73.02914	1.3
79.05479	2.2
79.92213	0.4
81.03416	2.3
81.07025	1.4
83.04972	0.5
83.28261	0.5
85.02405	1.0
85.02903	14.4
87.04467	4.4
91.03954	1.2
91.05479	2.3
95.04961	1.4
97.02891	8.7
99.04438	1.2
103.05473	2.9
105.07033	5.9
107.04963	1.1
107.08575	1.0
109.02868	1.7
109.06507	0.9
115.03934	4.9
115.05454	8.3
117.07022	1.0
119.04965	0.9
119.08607	0.7
121.02871	2.3
121.06506	1.5
122.03680	0.7
123.04433	1.8
123.11708	0.8
127.03944	3.0
129.06963	0.8
131.04935	1.9
133.04980	3.1
133.06473	5.2
135.04419	0.9
135.08037	0.8
137.02347	0.6
137.05972	16.3
138.06285	1.1
139.03865	0.7
143.04918	1.8
143.14722	0.5
145.04942	2.7
145.06479	1.1
147.04433	0.8
149.06006	2.8
150.07629	1.7
151.03897	8.9
151.05045	0.8
151.07602	0.7
153.01814	1.3
157.06458	0.6
161.05974	36.4
161.93974	0.5
162.06374	1.4
163.03952	1.0
163.07524	3.7
165.05554	0.7
167.03401	3.1
167.07033	1.6
167.10617	0.6
173.05994	0.8
175.07542	3.0
177.05447	1.2
179.08513	2.8
181.06544	0.7
185.11754	1.1
195.08073	0.7
196.08910	1.2
197.09546	1.4
199.07626	0.7
203.06940	0.9
207.08051	4.0
211.07504	0.9
221.09755	0.8
222.10120	0.5
224.08321	3.7
225.09093	3.7
227.07097	0.6
235.07539	10.9
235.09869	0.6
236.07979	0.8
239.10689	5.3
240.11133	0.5
242.09584	0.5
249.09035	1.3
252.07773	2.9
253.08591	2.8
255.06241	0.7
257.11664	1.1
267.10120	11.9
270.08865	1.3
273.11334	0.8
285.11206	100.0
286.11542	6.8
287.05505	3.1
287.12747	2.2
297.11053	0.8
299.12659	1.1
303.12296	3.3
309.11002	0.7
327.12161	4.2
328.12561	0.7
369.13309	0.6
381.12997	0.7
417.15582	0.7
447.16434	15.6
448.16702	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.5
55.01869	2.2
56.82248	1.2
57.03445	1.9
65.03927	5.0
66.49570	1.2
66.62560	1.3
69.03422	3.9
73.09399	1.3
79.05498	7.1
81.03409	5.8
81.07063	2.0
85.02916	7.5
91.05492	4.1
93.03370	2.2
93.07049	2.6
95.04965	3.2
97.02908	3.6
103.05468	5.2
104.09292	1.2
105.07025	5.8
107.04948	27.2
109.02869	1.8
109.06504	2.5
110.03660	1.8
111.04434	2.0
115.05463	4.3
117.07000	5.5
119.04904	3.0
119.08569	1.5
121.02904	2.1
121.06515	2.8
123.04425	4.6
124.05193	4.2
125.06026	4.8
127.03918	2.4
129.07037	2.3
131.04912	5.1
133.06514	4.3
136.07643	1.3
137.05968	15.0
139.07494	1.3
141.07021	2.6
142.02585	1.8
143.04868	2.1
144.05676	2.7
145.05397	1.9
145.06459	10.4
147.04395	4.3
148.05159	2.4
149.05954	6.6
151.03893	5.1
151.07556	3.5
153.01836	2.0
155.08592	1.7
157.06477	3.0
159.08102	2.4
161.05974	24.7
163.03894	4.1
163.07561	6.1
164.08296	3.0
164.33652	1.3
165.09230	1.5
167.07034	80.6
168.07384	2.2
169.06485	2.6
171.04427	1.4
171.06511	1.3
172.05197	2.5
173.06004	6.3
174.06783	1.2
175.03877	2.2
175.07544	4.6
181.04950	59.9
185.05974	3.2
187.07507	11.2
189.05443	4.7
189.09132	1.8
190.06261	2.3
191.07010	2.9
191.10675	1.7
195.06552	4.0
197.05975	1.9
199.07607	2.0
201.05440	9.2
203.07019	6.0
205.08629	6.0
206.05746	1.8
207.06387	1.7
207.08229	1.7
207.10167	3.3
211.07571	1.9
213.05511	2.7
215.07018	5.1
217.08691	1.8
218.05730	5.8
219.06461	3.0
219.10153	3.8
221.08093	8.9
233.08063	40.6
234.08516	2.5
235.07469	5.1
235.09573	20.7
235.13277	1.7
239.07103	2.2
245.08006	2.2
247.07524	2.9
251.09134	18.3
253.08502	2.0
257.07870	2.1
263.09109	17.1
264.07727	1.6
265.08539	1.8
267.10162	5.5
273.11261	3.5
275.09360	1.5
277.08600	2.1
279.10178	1.8
281.10214	4.9
285.11224	25.4
295.09613	1.5
301.10577	1.7
303.08817	2.3
307.09567	3.4
309.11310	2.8
311.12701	2.7
321.11273	2.3
323.09283	2.5
325.10681	3.5
326.11237	1.5
327.12137	2.4
331.08255	2.3
339.12262	11.0
344.12579	1.7
349.67557	1.4
351.12259	2.4
355.11746	3.3
363.12259	2.2
367.11816	2.9
381.13287	14.3
382.13586	1.5
386.13586	1.3
387.14090	4.4
399.14380	19.1
400.14664	1.4
417.15417	100.0
418.15710	10.2
435.16571	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	614.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.5
56.31880	1.3
64.29305	1.1
69.03422	1.2
69.12934	11.4
75.75217	1.2
79.05496	2.6
81.03426	2.0
85.02930	2.1
95.04954	2.1
96.43933	1.2
103.05479	1.7
105.07038	5.6
107.04956	21.8
109.06531	1.2
109.10147	1.1
110.14472	1.2
115.05463	1.9
117.07040	2.3
119.04906	1.8
120.22914	1.3
121.02918	1.1
121.06587	1.2
123.08115	1.2
131.04956	1.2
133.06526	2.5
133.10097	1.3
135.04420	2.9
135.08035	6.0
137.06000	2.1
139.03903	1.2
153.01797	1.9
154.06163	1.6
161.05956	2.7
161.09637	1.8
163.07559	11.4
167.07028	19.7
168.07411	2.1
180.07823	1.9
181.04970	2.7
192.06284	1.1
193.08595	5.9
195.10165	100.0
196.10550	4.1
314.29416	1.2
614.25140	9.0
614.42255	4.2
615.25684	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82195	0.4
53.27938	0.5
55.01871	0.4
55.05505	1.9
57.07072	7.4
58.06591	2.0
62.39590	0.5
65.03938	1.4
67.05505	2.1
68.13809	0.4
69.03438	0.5
69.07059	1.7
70.06591	18.4
71.04964	0.6
71.08634	2.4
72.08170	0.7
74.85062	0.4
75.04436	0.5
79.05493	1.8
79.26675	0.5
81.07055	3.3
83.04965	0.8
83.08634	0.9
85.10172	0.6
86.09723	0.8
88.07629	21.5
91.05477	2.3
93.07038	2.7
95.04972	1.0
95.08607	2.1
98.23337	1.2
102.09184	15.8
105.03397	0.5
105.07063	2.1
107.04997	0.7
107.08583	1.4
109.10135	1.2
111.08132	0.6
117.06973	0.8
119.04967	0.7
119.08573	1.1
119.94969	0.5
121.02843	0.6
121.06481	0.5
121.10168	1.8
123.08080	1.1
125.09637	0.7
131.04964	0.6
131.08586	0.7
133.10135	1.8
134.10448	0.5
135.11752	1.1
137.06004	0.7
137.09589	0.8
139.03889	0.6
139.07529	0.5
145.10066	0.7
147.04442	1.1
147.11673	0.6
149.02339	50.2
149.09668	1.1
150.02641	1.1
151.03960	0.6
153.06995	0.5
163.11227	0.8
169.10141	0.6
173.13347	0.5
175.03964	0.6
189.11223	0.7
193.04965	53.7
194.05370	1.9
206.53804	0.5
219.06671	0.8
225.05510	1.4
229.29562	0.6
256.26349	46.9
257.26682	2.4
269.04428	2.0
297.03986	2.8
313.07108	3.5
336.19116	0.7
341.06540	9.5
342.06937	0.9
353.20294	1.0
354.20319	1.0
354.24152	0.6
359.07663	7.3
369.27676	0.6
385.09152	50.0
386.09460	4.2
396.78870	0.6
542.30707	1.4
596.32556	1.0
614.33221	100.0
615.33514	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	615.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01617	0.1
51.02378	0.1
53.00298	0.1
53.03939	0.4
55.01867	0.7
57.03438	0.2
65.03936	1.8
67.05500	1.4
68.38371	0.1
68.99786	0.5
69.03427	0.4
70.77950	0.1
70.78268	0.1
71.01354	0.3
77.03922	0.2
80.02630	0.2
81.03414	0.6
84.02145	0.1
85.02903	0.7
93.03400	0.9
95.01313	0.2
95.04984	0.9
97.02886	0.4
98.03688	0.1
99.04456	0.2
105.04518	0.2
108.02082	2.2
109.02886	0.6
110.03671	0.2
111.00816	0.5
111.04441	1.0
112.01582	0.2
121.02882	0.7
121.04006	0.2
123.04443	0.4
125.05966	0.6
127.03912	0.3
131.04921	0.1
133.02795	0.1
135.04436	0.2
136.01549	0.5
137.02330	2.0
137.03337	0.2
137.06015	0.2
141.05472	1.6
145.04849	0.1
145.06432	0.1
147.04353	0.1
149.02359	0.3
149.05981	0.1
151.03899	100.0
151.04956	7.2
152.04228	3.1
153.01808	3.3
154.02158	0.1
155.04951	0.2
161.05986	0.2
163.03902	0.5
165.01852	1.1
166.02560	0.1
167.03299	0.1
167.07068	0.1
169.04953	0.8
173.05940	0.3
177.05379	0.1
183.02867	0.4
183.04306	0.2
187.03954	0.2
191.03282	0.1
195.02811	0.2
201.05499	0.9
213.05467	0.1
219.06567	0.1
229.04939	2.5
230.05402	0.2
239.03432	0.1
247.06065	0.4
253.07104	0.3
257.04446	1.3
274.04730	0.4
275.05350	0.2
285.04004	0.7
295.05057	0.1
295.08032	0.5
301.07114	0.9
302.04175	0.1
303.04959	47.1
304.01999	0.2
304.05289	3.1
313.09167	4.5
314.09421	0.2
341.06592	0.1
345.06082	0.6
369.06033	0.1
411.07147	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.3
55.01867	6.0
55.05517	1.3
61.91507	1.0
65.03938	10.0
67.05490	2.9
69.03413	1.3
69.28985	4.9
69.29413	4.0
72.47580	1.2
75.00520	1.2
77.03927	1.0
78.09232	1.3
79.05486	4.2
80.00315	1.1
81.03419	2.2
81.07057	1.8
82.04174	1.2
85.02904	2.5
88.34127	1.3
91.05485	5.3
93.03403	3.9
93.07052	4.1
95.01334	1.3
95.04974	4.7
97.06487	1.5
98.22578	2.5
103.05479	8.8
104.05768	1.3
105.03381	2.0
105.07028	3.7
107.04950	7.2
107.08592	1.3
109.02880	1.2
109.06483	1.3
110.03670	7.6
111.04453	6.1
115.05511	1.6
117.07019	2.1
118.04202	1.5
119.04935	2.6
119.08568	2.6
121.02869	5.4
121.06483	2.7
121.10136	2.2
122.03552	1.1
123.04436	6.5
125.05988	10.9
127.03838	1.3
129.06975	3.1
131.04926	10.0
131.08521	1.9
133.02853	3.6
133.06479	2.9
135.04370	1.9
135.08037	1.2
137.05988	11.0
139.03908	2.0
142.02658	1.4
145.06506	2.3
145.56738	1.2
146.95769	1.1
147.04399	4.2
147.08006	1.3
148.05167	4.4
149.02310	2.4
149.05981	3.5
151.03922	10.6
151.07501	2.7
153.05461	25.6
155.07005	2.0
157.06448	1.4
159.08020	1.1
161.05992	5.4
163.07607	9.2
165.05453	6.2
165.06891	2.5
165.09155	1.3
166.06267	1.3
167.07037	15.1
167.08353	2.2
168.07350	1.6
174.06790	1.3
175.07552	3.6
177.05473	6.1
179.06979	1.8
181.04938	34.3
181.08525	1.3
182.07288	1.7
189.09117	3.0
191.07028	36.0
192.07434	1.8
193.08636	2.8
195.08147	2.1
195.10179	4.2
196.10463	3.0
205.08574	1.3
206.07278	1.4
207.06429	2.0
208.07201	2.2
209.08022	8.6
211.07513	2.1
212.08162	1.2
219.10144	3.3
221.06163	2.2
221.08109	4.0
223.07497	2.4
225.05438	2.4
225.07574	6.4
225.09477	2.0
227.07021	2.6
234.06783	1.7
237.05429	2.0
237.09038	2.1
238.06314	1.8
238.09912	2.4
239.06981	3.0
239.10669	1.6
240.07803	7.3
241.08572	2.1
249.09094	1.6
251.07106	1.9
252.07790	1.5
253.08586	13.7
253.12190	4.7
254.09106	1.7
255.06502	3.6
255.10129	3.0
257.08127	2.2
265.08563	1.9
266.09320	3.1
267.10193	1.9
268.07181	2.0
269.08096	3.2
269.11816	1.3
270.08914	2.5
279.06592	1.7
279.10013	1.6
281.08081	3.3
281.11639	4.6
283.09592	7.9
284.10422	2.8
285.07678	2.2
285.11166	3.1
285.14667	1.4
294.08752	1.7
295.09589	3.2
297.07806	2.0
297.11035	2.0
298.11792	1.7
299.09424	1.9
299.12564	5.6
303.04959	1.8
309.11069	7.2
309.24048	1.3
310.11887	2.0
313.10617	6.0
313.13989	2.6
314.11099	2.2
321.11145	1.4
327.12225	26.7
328.12643	3.1
329.13815	2.9
331.15442	3.5
339.12213	2.5
341.13818	4.8
347.09583	3.0
359.14853	100.0
360.15237	7.5
371.14893	7.6
372.15564	2.4
389.15955	8.6
390.16425	1.5
418.16260	1.9
503.16891	2.0
552.74292	1.2
578.34418	1.2
614.40509	1.4
615.26514	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	615.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.8
53.03946	1.6
53.40466	0.4
55.01862	2.1
55.59639	0.4
57.03433	0.6
65.03934	1.5
67.05492	1.0
69.61894	2.4
77.03941	0.7
78.02874	0.5
78.04691	2.1
79.05485	5.9
81.03402	0.7
81.07050	1.3
89.03886	0.6
91.05471	14.1
92.06277	0.6
93.03409	0.5
93.07041	8.7
94.04174	0.6
95.04964	4.4
95.08591	0.9
98.22646	0.8
103.05460	12.7
104.05781	0.6
105.03322	0.5
105.04510	0.9
105.07021	16.7
106.04148	1.3
107.04947	25.1
107.08593	1.1
108.05785	0.8
109.06487	0.6
110.03664	0.6
111.04429	1.2
115.05441	3.6
117.07012	1.3
118.04166	3.4
119.04935	2.8
119.08508	0.5
120.05728	2.3
121.06497	17.4
121.10065	0.5
122.07263	0.8
123.04414	4.6
123.08047	0.6
124.05223	4.0
125.05963	1.6
131.04919	1.7
131.05981	0.8
131.08565	0.6
132.05667	0.6
133.02870	0.7
133.06476	12.5
133.10193	0.6
134.07275	0.7
135.04402	0.7
135.08046	16.9
136.05173	1.7
137.05957	4.6
138.06747	0.9
139.03891	0.6
139.07558	0.6
145.06474	0.5
145.07555	0.7
147.04408	1.5
148.05170	2.6
149.05965	9.6
150.06699	2.6
151.03896	2.5
151.07523	1.8
152.04648	1.7
152.08298	3.9
153.05472	1.1
154.06273	2.6
161.05969	5.6
163.03903	0.9
163.07541	19.6
164.07904	1.1
165.05472	21.4
165.09103	6.9
166.06250	17.6
167.07024	62.5
168.07372	2.1
173.09618	0.4
173.13232	0.6
177.05531	2.1
177.09119	0.6
178.06229	0.7
179.07001	1.4
180.07813	3.8
181.05113	7.3
181.08582	100.0
182.08966	3.7
189.09160	0.5
191.07007	0.7
193.08588	96.2
194.08990	3.9
195.10152	80.9
196.10539	3.8
201.16319	0.5
209.08086	15.6
210.08858	6.1
211.09653	12.9
221.09589	0.7
221.11668	4.1
224.10313	0.7
239.12756	15.6
240.13167	0.9
274.14154	0.5
277.57315	0.5
316.75473	0.5
371.14880	1.2
403.17465	3.1
455.22089	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.5
53.03943	1.3
55.01859	2.0
57.03437	0.8
61.10612	0.3
62.67200	0.3
65.03937	1.3
65.55219	0.3
67.05495	0.7
68.16132	0.3
69.09032	0.3
74.90456	0.3
77.03928	0.5
78.04697	1.6
79.05491	5.2
81.03405	0.4
81.07076	0.6
83.04920	0.3
85.02889	0.3
91.05479	11.7
93.03409	0.7
93.07040	9.1
94.04171	0.3
95.04971	4.0
95.08589	0.5
98.23293	0.7
103.05466	11.3
104.06286	0.4
105.03416	0.4
105.04518	1.3
105.07027	13.5
106.04168	1.7
107.04949	24.1
107.08610	0.5
108.05793	0.6
109.02909	0.3
109.06511	0.4
110.03658	0.7
111.04407	0.5
111.82478	0.3
115.05452	2.7
117.07002	1.5
118.04167	3.0
119.05000	1.5
119.08543	0.7
120.05727	2.1
121.06504	15.4
122.03654	0.5
123.04417	4.8
123.08046	0.7
124.05222	2.4
125.05978	1.1
131.04918	1.6
131.05977	0.5
132.05710	0.7
133.02852	0.7
133.06479	11.8
133.10104	0.3
134.07314	0.3
135.04395	1.4
135.08046	13.1
136.05188	0.6
136.08382	0.5
136.50565	0.3
137.05965	4.7
138.06721	0.8
139.03902	0.6
139.07533	0.9
143.06078	0.4
145.06497	0.4
145.07596	0.5
147.04399	1.4
147.08051	0.6
148.05151	2.1
149.05969	11.7
150.06789	3.3
151.03879	3.2
151.07541	1.3
152.04716	2.4
152.08316	1.2
153.05476	3.9
153.09019	0.4
154.06267	2.7
160.05122	0.4
161.05963	5.5
162.06601	0.5
163.03885	0.3
163.07533	13.3
164.07951	0.7
165.05467	10.2
165.09105	6.4
166.06255	15.3
167.07027	63.0
168.07368	1.9
175.07553	0.5
177.05473	2.0
178.06255	1.0
179.07043	2.1
180.07809	3.3
181.05128	7.1
181.08585	88.1
182.08945	3.6
191.07047	0.7
192.07793	0.6
193.08592	100.0
194.08939	4.0
195.10152	59.1
196.10515	2.8
209.08080	13.8
210.08821	4.1
211.09648	0.9
213.11246	0.4
213.99567	0.3
221.11725	4.4
224.10483	0.5
239.12761	13.3
240.13029	0.6
343.34518	0.3
371.14801	0.8
403.17532	3.3
497.04340	0.3
514.14124	0.3
615.17859	0.3
615.31317	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.8
55.05500	1.6
57.03428	0.8
67.05501	3.4
69.03423	0.9
69.07057	2.0
71.14074	0.9
73.73531	0.8
79.05477	4.0
81.03397	1.6
81.07057	4.2
83.01316	1.1
83.08617	1.8
85.02905	1.3
85.14516	0.6
91.05474	2.8
93.07017	3.3
95.04976	1.5
95.08596	2.9
97.06522	1.4
105.07032	3.5
107.04953	1.8
107.08588	3.2
109.10170	1.7
117.07030	2.2
119.04987	1.3
119.08587	3.3
121.10168	2.7
123.08058	1.8
131.08560	1.5
133.10182	1.8
135.08012	1.3
135.11670	2.1
137.05983	2.0
137.09570	1.3
139.11172	0.9
143.08566	1.1
145.10123	2.2
147.04416	2.1
147.11670	0.9
149.09587	1.0
151.03857	1.9
153.12776	0.8
157.10031	1.2
159.11621	1.2
163.03845	1.1
163.11316	0.8
167.07126	1.1
167.08546	0.7
171.11678	1.2
173.13176	1.1
176.68820	0.7
177.09113	1.0
187.14647	0.7
189.09195	0.8
193.08569	1.0
201.16512	0.8
218.05615	1.0
221.08072	1.5
229.08612	0.7
233.08080	10.0
241.08774	0.6
245.08119	5.0
257.08139	1.9
263.09152	1.1
268.11020	0.8
271.09668	2.3
273.11057	1.2
275.09189	2.9
285.11420	0.8
295.09637	2.3
297.11273	1.4
299.09174	2.2
299.12677	1.0
309.11215	1.2
310.11880	1.7
311.09140	0.9
311.12744	2.7
313.10657	2.6
318.21426	0.8
323.09225	2.1
323.12698	1.0
325.10645	6.8
326.11703	0.8
335.12613	1.2
337.10596	1.7
337.14285	3.0
338.11255	1.0
339.12350	2.3
349.10413	1.2
349.14398	1.9
350.78717	0.8
351.12231	1.6
352.16745	1.3
353.10123	2.5
353.14017	1.2
363.12158	1.4
365.09998	2.7
365.13983	3.7
367.11597	1.2
367.15561	1.3
376.12964	1.5
377.13763	2.5
379.15503	1.1
380.12079	1.2
380.16287	2.0
381.13300	1.6
391.15686	1.4
393.13260	32.5
394.13733	2.4
395.14337	4.1
395.19122	1.3
404.12485	0.9
405.13202	6.5
406.13358	0.8
407.14960	1.4
408.11429	0.9
408.15793	8.7
409.16675	3.5
415.15433	0.9
419.14877	19.8
420.15298	2.1
423.14359	24.3
424.14658	2.7
430.17871	1.2
431.14554	1.2
433.16379	8.2
434.16895	1.5
443.14804	2.7
447.14343	5.7
453.22876	7.2
454.23004	0.9
459.14493	3.1
461.15836	0.9
465.22705	100.0
466.22937	9.9
471.14471	6.8
472.15155	1.2
477.22626	4.5
486.16382	1.7
489.15363	4.2
491.24261	11.3
492.24686	1.1
495.23758	70.0
496.23996	8.9
505.25748	9.7
506.26053	1.3
515.24622	1.4
519.23743	49.8
520.24158	6.6
531.23828	7.1
532.23938	0.8
533.25092	1.7
543.23914	13.2
544.24005	2.2
549.24805	30.7
550.25037	4.4
561.24841	27.8
562.25134	2.6
579.25848	29.4
580.26227	3.9
597.27045	11.2
598.26746	1.5
615.18915	0.9
615.27417	8.2
615.34686	0.8
616.19220	0.9
616.28583	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03722	1.2
53.03949	4.2
55.01868	6.3
55.05511	9.7
57.03431	3.3
57.07068	2.9
58.00161	1.1
65.03956	2.6
65.14187	1.1
67.05509	13.7
69.03423	12.7
69.07068	12.4
70.65488	2.6
71.04996	9.0
72.12144	1.1
79.05493	16.2
81.03419	11.3
81.07056	36.0
81.52783	1.1
83.04984	7.6
83.08625	4.1
85.02911	4.8
85.06543	13.5
91.05470	16.2
93.07043	59.2
94.07388	1.9
95.04981	8.5
95.08607	27.6
97.02889	3.7
97.06535	15.5
97.10171	1.4
99.04454	8.9
99.08110	9.0
103.05476	2.9
105.07028	30.5
106.07330	1.5
107.04984	2.9
107.08592	78.7
108.08909	2.0
109.02891	8.0
109.06520	16.1
109.10146	22.6
111.04455	1.7
111.08101	8.0
111.11711	1.4
113.05994	2.2
115.05488	1.7
117.07008	4.5
118.37569	1.1
119.08573	20.0
121.02834	2.3
121.06510	14.9
121.10143	52.9
122.10425	2.0
123.04443	2.0
123.08062	18.1
123.11726	3.9
125.05995	2.3
125.09646	3.0
127.03891	9.6
131.04904	1.4
131.08569	18.0
133.06532	2.3
133.07645	1.3
133.10120	39.7
134.10454	1.5
135.04364	1.4
135.08028	14.2
135.11679	10.5
137.06012	3.8
137.09610	8.6
137.13266	1.8
139.07582	2.2
139.11156	11.2
143.08557	2.2
145.05011	1.5
145.10135	15.1
147.04417	1.5
147.11671	13.6
149.06026	1.2
149.09625	25.2
149.13257	34.7
151.03944	5.9
151.07564	4.0
151.11171	18.1
153.09099	2.7
158.10976	2.2
159.11763	1.5
161.09592	1.6
161.13239	5.2
163.11186	22.5
163.14813	23.7
164.11476	1.6
165.05569	2.0
165.09175	1.9
165.12769	3.3
167.07076	4.7
167.10667	15.4
167.14293	1.8
169.08589	23.7
173.09631	3.4
173.13266	42.8
174.13692	2.3
175.03937	3.6
179.14340	3.8
181.08612	1.4
181.12190	5.6
185.11671	1.5
189.09215	2.2
191.10742	10.0
191.14302	100.0
192.14655	4.5
209.11792	8.6
209.15353	45.5
210.15607	2.4
224.50308	1.2
226.16776	1.1
227.12845	25.8
227.16399	49.6
228.16740	2.0
299.09140	15.9
299.12274	1.9
300.09741	1.3
303.04974	1.8
311.14853	3.3
353.15927	4.6
371.16919	3.8
423.23535	3.1
615.29041	15.4
616.29395	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77412	2.3
53.03944	3.9
55.05510	10.1
57.07071	28.8
59.05003	3.9
65.06481	2.5
67.05510	35.7
69.03422	6.3
69.07076	15.2
70.57494	6.2
71.05000	11.6
79.05497	32.6
81.07059	55.3
83.01337	5.6
83.04987	7.8
83.08639	4.7
85.06527	4.9
91.05482	21.7
93.07048	44.8
94.07372	3.0
95.04974	14.2
95.08614	26.8
97.06539	14.1
97.10138	5.8
105.07032	25.0
107.08595	36.6
109.06512	11.2
109.10174	20.3
111.07992	4.1
113.05983	16.1
117.07010	4.5
119.08562	12.9
121.06516	5.6
121.10138	28.2
123.04435	4.5
123.08097	10.9
123.11697	23.8
125.09629	4.6
127.11216	8.8
129.06978	3.4
131.08571	5.3
133.10147	30.7
135.08087	5.2
135.11708	37.6
137.06009	9.8
137.09650	10.2
139.11191	18.3
141.05463	7.5
145.10153	6.4
147.08041	8.2
147.11659	3.6
149.06013	2.5
149.09615	6.2
151.07570	3.9
151.11191	26.3
151.14772	2.6
153.05484	7.4
161.05997	2.5
161.09677	4.1
161.13240	5.5
163.07622	5.2
164.81296	2.6
165.09169	20.5
167.10663	7.3
169.12274	6.0
173.13234	3.8
175.07494	11.9
175.14949	4.2
178.06206	3.0
178.92096	2.4
179.07053	6.2
185.13353	3.9
185.42296	2.4
189.09074	5.8
189.12752	4.3
191.07063	7.7
191.14297	3.8
192.07742	3.5
193.08609	57.3
194.08919	2.9
197.08112	12.9
198.73628	2.5
201.12767	2.7
205.08627	8.6
207.10146	4.6
207.13910	5.1
209.08099	3.3
209.15430	6.8
211.09653	100.0
211.11629	5.6
212.09998	4.5
219.13771	3.6
227.09070	3.3
235.13315	3.2
237.14839	40.4
243.13808	2.7
243.21170	4.1
245.11636	2.7
245.38214	2.4
247.13335	6.1
250.73262	2.5
259.13461	4.0
261.14764	2.6
261.22153	6.7
265.14307	10.6
273.14810	7.2
279.23209	17.3
280.24066	3.1
291.15982	6.5
297.24225	17.1
301.18015	3.2
313.17892	13.1
325.18085	4.0
343.18967	13.5
361.20041	19.8
397.23663	4.4
405.33725	3.0
415.24750	7.1
417.22229	3.6
417.33575	7.1
425.19568	6.6
429.22745	24.7
435.34946	11.9
447.23770	8.0
453.35825	6.2
491.27655	2.6
501.26755	3.1
509.29330	3.3
519.27325	14.8
520.27893	3.2
527.29633	4.4
527.41919	3.0
543.43390	3.1
561.31995	6.6
561.44556	3.3
579.33289	19.3
597.34186	65.1
598.34576	6.6
615.34979	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	615.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.1
55.05507	8.0
57.07074	3.6
59.05001	2.3
65.03936	2.5
67.05502	18.8
69.03427	5.4
69.07072	10.7
69.58598	3.5
69.59003	5.1
71.04990	11.8
77.03930	1.7
79.05489	18.9
81.07053	29.9
83.01360	3.5
83.04994	5.5
83.08627	2.0
85.06541	1.9
87.04468	1.7
89.06024	2.8
91.05474	19.3
92.05801	1.6
93.07045	32.5
93.07613	2.4
95.04964	11.0
95.08619	11.4
97.06533	7.0
105.04515	1.4
105.07029	22.8
107.08591	41.1
109.06525	10.3
109.10155	14.4
111.04478	2.3
111.08087	2.3
113.06012	14.4
117.07033	2.2
119.08553	7.1
121.06507	3.7
121.10129	15.4
123.04414	1.6
123.08086	5.0
123.11700	18.5
125.06007	1.7
125.09666	3.5
129.06964	1.8
131.08588	6.1
133.08595	1.6
133.10139	27.4
135.08046	3.8
135.11696	63.2
136.12004	2.5
137.05966	9.5
137.09636	8.3
139.03914	1.7
139.11205	12.8
141.05484	6.6
143.03432	2.4
143.08543	2.6
145.10146	3.6
147.08064	4.5
147.11705	2.3
149.09636	5.5
150.10356	1.8
151.07510	3.0
151.11183	33.2
153.05467	9.3
153.09061	2.5
155.07040	2.1
157.10118	3.4
158.10881	1.7
161.09610	3.3
161.13292	5.6
163.07594	4.2
163.14874	3.9
165.09137	18.4
167.10652	4.1
169.08646	2.7
169.10017	1.9
169.12296	3.0
173.09592	2.3
173.13263	4.1
175.07536	10.6
175.11249	1.6
175.14734	1.8
177.09119	4.9
178.06308	1.8
179.07080	1.6
179.10698	2.5
179.65695	1.4
181.08591	2.0
185.13347	3.5
187.07552	1.7
187.11227	1.8
187.14867	1.5
189.09132	5.2
189.12715	3.6
191.07014	6.8
191.10741	1.6
191.14284	3.4
192.07872	4.6
193.08595	59.5
194.08934	2.2
195.10190	2.2
203.10738	3.1
203.14267	2.1
205.08598	13.8
207.10229	2.5
207.13828	2.3
209.08081	3.1
209.15231	3.3
211.09644	100.0
212.10020	4.6
213.12701	3.2
219.09995	1.8
219.13802	3.2
221.11801	1.9
223.09630	3.0
229.12320	2.7
231.13780	8.0
233.15341	1.6
237.14828	14.9
243.13838	1.6
245.11667	2.5
245.15381	6.3
247.13312	7.4
249.14853	3.7
255.13737	2.1
257.11798	4.4
259.13306	4.6
265.14383	9.0
273.14807	11.1
275.12766	4.5
291.15924	10.7
297.11176	1.8
303.80188	1.7
315.19754	2.6
317.21039	2.6
319.19025	4.0
325.17981	3.9
343.19101	18.2
344.19394	2.0
345.20633	1.6
361.20016	25.9
367.62668	1.6
379.21320	3.4
397.23691	4.1
415.24783	6.6
429.22751	28.9
430.23279	3.3
447.24170	7.9
447.29572	1.9
509.28836	4.3
527.29938	6.5
548.83752	1.5
561.31580	3.0
579.33044	29.1
580.33179	3.3
597.34167	60.8
598.34125	10.2
615.35291	13.1
616.36060	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	615.352
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53799	0.9
53.03938	2.4
55.01883	1.5
55.05508	5.1
59.04998	2.5
60.48072	1.1
65.50531	0.9
67.05502	9.6
69.03429	2.6
69.07070	3.7
70.82751	1.1
70.83073	1.8
71.04995	20.0
72.93108	1.2
79.05495	13.2
81.07055	24.2
83.01343	2.9
83.04996	2.5
91.04994	1.6
91.05480	11.7
93.07047	14.1
95.04978	4.9
95.08589	6.6
97.06521	3.4
105.07029	19.3
107.04973	1.1
107.08603	10.7
109.06522	9.3
109.10152	22.2
109.92607	1.1
111.08090	1.0
113.06013	14.2
117.07039	1.4
119.08577	4.3
121.06526	3.0
121.10153	10.5
123.04440	1.2
123.08062	4.8
123.11689	8.8
125.09598	1.9
126.24066	1.1
129.06966	1.3
131.08585	3.3
133.06456	1.6
133.10135	22.2
135.08060	2.6
135.11681	1.7
137.05986	7.9
137.09616	6.5
139.03938	1.7
139.11189	8.8
141.05464	8.8
143.08592	1.5
145.06500	2.0
145.10205	1.1
147.08057	4.4
149.09631	3.3
149.13269	2.1
149.47858	1.0
150.10402	1.7
151.07578	3.2
151.11182	49.1
152.11537	2.4
153.05467	13.8
155.06995	1.4
161.09612	3.2
163.07552	4.7
165.09116	18.4
167.07133	1.6
167.10684	3.4
169.12218	1.8
173.13260	1.2
175.07549	9.9
175.11165	1.2
177.05481	1.0
177.09073	3.2
178.06206	1.9
181.08571	1.2
185.13393	1.3
187.07642	2.3
187.11142	1.8
189.09113	1.4
189.12697	2.3
191.07014	7.0
191.10652	1.6
191.14348	2.1
192.07816	3.6
193.08603	59.5
194.08943	2.0
195.10211	1.4
199.11049	1.3
201.09151	2.1
203.07014	1.5
203.10641	1.6
203.14310	1.6
205.08609	19.0
207.10103	1.7
207.13817	2.4
209.08115	3.2
209.13448	1.3
209.15364	3.2
211.09647	100.0
212.10016	3.6
213.12733	1.4
215.10669	1.4
217.08626	2.1
219.10178	2.4
219.13860	2.8
221.11662	2.6
223.09621	3.6
229.12192	1.3
231.13820	3.6
237.11198	1.4
237.14812	12.9
239.10660	3.0
245.11717	2.0
247.13216	8.1
249.14874	2.0
255.13905	2.0
257.11703	4.3
259.13397	1.8
261.11124	1.3
265.14313	12.8
273.14868	11.1
275.12790	6.8
283.16928	1.5
289.14499	1.2
291.15903	13.0
292.16306	1.1
297.18384	1.2
315.12192	1.4
325.17950	4.6
327.15710	1.5
327.19440	2.1
343.19012	16.5
361.20084	22.1
362.20349	2.4
379.21542	1.3
385.16330	1.3
397.23761	1.8
415.24796	9.7
429.22705	25.8
430.22916	1.5
432.96841	1.1
445.22385	1.5
447.23840	6.7
499.26920	1.8
509.28922	4.5
525.28351	1.2
527.30109	7.0
579.33258	12.1
597.34143	85.0
598.34705	12.6
615.35339	26.5
615.45178	1.9
616.35046	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	615.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.9
53.54127	2.8
55.05515	11.1
57.07068	9.9
66.12402	2.9
67.05497	21.7
68.99796	7.2
69.02202	31.8
69.03436	5.5
69.07063	15.3
71.04989	15.7
73.73035	2.7
79.05491	54.4
80.71231	2.6
81.07063	30.9
83.01340	6.2
83.04999	9.4
83.08629	6.2
89.06011	4.8
91.05487	27.1
93.07040	82.8
93.07612	5.7
95.04955	11.6
95.08595	17.4
97.06530	7.2
98.22601	5.8
103.82958	2.7
105.07033	31.2
107.04927	4.1
107.08592	70.5
109.02924	3.1
109.06480	5.2
109.10147	12.0
111.04420	19.3
113.05991	16.3
113.58205	3.3
117.07031	5.4
118.84851	3.0
119.08542	15.1
121.06490	10.2
121.10129	33.9
123.04404	2.8
123.08096	7.9
123.11699	19.2
125.06027	6.9
128.06184	3.7
129.05469	4.9
129.07034	8.4
131.08583	21.9
133.06470	3.5
133.10110	36.6
133.11049	3.9
135.08029	8.3
135.11690	100.0
137.05981	7.5
137.09621	12.9
139.03917	8.6
139.11186	14.8
141.05499	4.0
143.08557	9.9
145.10159	9.8
147.08058	15.4
147.11705	6.4
149.09628	10.0
149.13304	3.8
150.10384	4.1
151.07552	9.3
151.11177	10.2
153.05432	4.2
153.09056	5.5
155.03369	9.1
157.04999	4.0
157.10123	5.4
159.08023	3.3
161.05971	16.9
161.09616	6.6
161.13266	11.6
163.06168	2.7
163.07526	6.9
163.14983	3.2
165.09122	20.0
167.08580	5.1
167.10707	4.7
171.08141	6.2
171.11761	3.8
173.09550	4.6
173.13301	11.5
175.07500	14.5
175.11205	4.7
177.09085	3.7
185.13306	4.2
189.09126	9.7
189.12758	11.2
191.14282	6.9
193.08577	44.7
195.10193	4.3
199.07610	5.5
203.10699	5.0
203.14331	6.1
205.08611	9.6
209.08142	5.6
211.09642	82.3
211.11664	5.8
213.12794	6.2
215.14342	5.1
219.13857	5.8
223.09621	3.6
227.09113	6.9
227.14282	4.4
231.10197	5.1
231.13785	14.8
233.15500	4.6
235.13298	7.4
237.14813	23.1
240.69868	3.5
245.15361	48.1
247.13277	5.8
249.14825	4.7
259.13354	22.9
268.14508	3.6
273.14908	14.8
277.14334	44.6
278.14725	4.0
291.15912	13.5
315.19473	4.4
317.21075	6.6
325.17850	3.6
343.19119	13.1
347.18594	5.9
361.20084	31.4
362.20374	4.0
373.16403	6.8
379.21304	10.2
391.17569	8.5
397.23355	3.8
415.24765	8.1
429.22736	24.4
430.22937	3.6
447.23782	8.5
461.21655	4.2
481.29330	12.4
509.28745	7.3
527.29803	17.1
551.22290	2.9
553.35260	3.8
579.32623	11.2
580.33447	3.4
597.25262	6.1
597.34143	86.1
598.34167	10.9
615.35571	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	615.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.7
55.01873	2.1
55.05509	22.2
57.03448	1.3
57.07066	4.0
59.04996	3.3
59.47522	1.0
64.56204	1.1
65.03934	1.8
67.05505	24.7
69.03423	2.8
69.07066	9.6
71.04990	14.5
71.08621	1.6
79.05492	19.0
81.07056	41.7
83.01347	2.6
83.04970	7.7
83.08636	6.6
85.06551	2.9
87.53292	1.1
91.05480	14.4
93.07049	19.0
95.04955	8.2
95.08598	16.4
97.06530	7.4
97.10167	13.0
98.23420	2.4
105.07031	20.9
107.04964	2.1
107.08596	25.2
109.06516	7.1
109.10146	18.1
111.04445	1.2
111.08099	2.2
113.05999	13.8
117.07006	1.9
119.08578	7.4
121.06506	3.2
121.10161	16.8
123.08073	7.5
123.11707	18.8
125.09628	12.2
126.09981	1.2
127.07556	1.2
131.08575	5.0
133.10130	26.5
135.08054	5.1
135.11684	10.0
137.05957	9.0
137.09598	6.2
139.11131	8.3
141.05472	6.4
143.08557	1.3
145.10129	3.4
147.08025	3.1
147.11684	2.5
149.09613	5.0
149.13254	1.5
150.10410	1.6
151.07521	3.3
151.11166	21.7
152.01294	1.2
153.05496	6.1
153.09109	5.4
155.07021	2.3
155.44965	1.5
157.10127	1.4
159.11659	2.7
161.09648	2.9
161.13261	1.6
163.07529	2.7
165.09119	18.9
167.10690	2.7
169.08640	1.7
169.12251	10.6
171.10158	1.5
173.11830	1.2
173.13277	3.1
175.07533	7.8
177.09131	2.8
177.12831	1.7
178.06233	2.3
179.14349	1.6
189.09366	2.3
189.11214	14.5
189.12761	1.8
191.07066	5.5
191.10579	1.6
191.14285	2.4
192.07771	3.8
193.08598	53.6
194.08939	1.3
195.10156	1.4
197.08116	2.1
201.12640	1.4
204.91885	1.2
205.08653	10.8
207.10199	1.8
209.15327	1.6
211.09650	100.0
212.10005	3.9
213.12720	2.7
217.08421	1.5
219.13835	3.1
223.09572	3.2
228.90231	1.4
231.13824	4.7
235.13203	1.7
237.14841	18.6
243.13924	1.8
243.21036	1.7
245.11774	2.0
247.13293	8.1
249.14944	1.9
257.11578	1.3
259.13416	1.3
265.14386	11.3
273.14899	7.4
275.12793	2.9
279.23129	10.5
291.15872	7.0
297.24176	5.6
301.17960	1.4
313.17957	2.9
315.19501	1.6
325.17786	2.2
327.15839	1.4
327.19669	1.5
329.17615	1.2
343.19067	9.6
344.19595	1.7
361.20062	21.8
379.21219	7.6
386.20175	1.3
397.23608	3.7
413.30118	2.4
415.24686	9.0
429.22766	26.0
430.22983	2.2
431.31610	9.8
433.25760	4.3
447.23795	5.4
449.32681	3.9
491.27570	1.5
519.27606	1.9
527.29858	4.8
545.30988	1.4
561.32416	1.7
561.45044	1.8
579.33130	10.6
597.34204	55.2
598.34393	8.5
615.35132	29.2
616.35370	4.3
643.80444	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3524
Annotation	Lasonolide E
Peak:m/z	Relative Intensity
51.14693	1.0
53.03952	1.8
55.05509	3.5
56.44528	0.9
57.07059	1.8
58.46554	1.0
59.05005	2.3
64.01930	1.0
65.03941	1.1
66.63874	1.2
67.05503	12.2
68.99788	1.2
69.03417	2.0
69.07069	6.0
69.45346	6.5
71.04987	8.6
79.05490	10.5
81.03432	1.1
81.07059	26.4
83.01334	4.0
83.03075	1.0
83.04984	2.0
83.08603	1.9
85.06534	1.4
91.05470	11.4
93.07040	12.4
95.04955	7.6
95.08614	8.5
97.06526	6.2
105.07017	14.3
107.04991	1.6
107.08592	16.4
109.06524	6.4
109.10151	8.6
111.08084	2.0
113.06013	12.6
115.05450	1.4
117.07053	1.5
117.57951	1.0
119.08591	4.4
121.06490	3.4
121.10137	9.7
123.04446	2.2
123.08063	7.5
123.11713	21.9
125.09597	1.9
129.07053	1.2
131.08585	2.8
133.06505	1.5
133.10123	21.2
135.08008	2.9
135.11693	3.9
137.05992	8.4
137.09625	4.9
139.03926	2.9
139.07507	1.1
139.11215	5.2
141.05489	6.2
143.08525	1.8
145.10124	2.4
147.08032	4.0
149.09639	3.8
151.07570	2.8
151.11171	24.2
152.11551	1.4
153.05470	7.9
155.06979	1.9
157.04938	3.3
159.11610	1.4
161.09671	2.0
161.13240	1.2
163.07550	2.0
165.05406	1.3
165.09137	15.2
167.10660	2.5
169.12231	3.8
169.97379	1.1
173.09608	1.4
175.07539	9.9
175.11217	1.2
176.08003	1.0
177.09180	2.2
178.06218	3.1
179.07072	1.2
179.14233	1.8
189.09111	4.7
191.07054	6.2
191.14374	1.4
192.07790	4.6
193.08604	54.8
194.09026	1.9
195.10168	1.6
203.14281	1.9
205.08585	8.4
205.15877	1.3
209.15327	2.4
211.09653	100.0
212.10017	4.7
213.12813	2.8
215.10643	2.0
217.12212	1.8
219.13754	1.9
223.09673	2.9
227.09001	2.5
227.10925	1.5
229.08549	1.5
231.13847	3.2
237.14789	15.2
243.10155	2.4
243.13837	2.6
245.11751	1.6
247.13242	4.3
249.14888	2.9
255.13745	1.6
257.11810	2.1
265.14398	5.7
269.11829	1.7
271.13177	1.3
273.14847	7.0
275.12595	2.5
291.15933	6.4
297.18307	1.2
300.69351	1.0
311.91132	1.1
315.12292	2.0
315.19595	1.0
325.17966	4.1
333.20630	1.8
338.28104	1.2
343.19034	14.6
345.20724	1.7
361.20087	27.9
362.20389	2.8
379.21054	5.2
391.17163	1.7
397.23663	6.6
401.23199	1.8
415.24747	8.6
416.24503	1.2
429.22717	34.9
430.22989	2.5
433.25879	2.3
447.23834	10.6
448.24231	1.4
509.28687	3.5
510.48605	1.3
527.29962	10.3
561.31409	1.3
579.24731	1.7
579.33002	18.9
580.33264	2.9
597.34186	91.5
598.34546	13.0
615.35156	17.4
616.35950	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3863
Annotation	Synaptolepis factor K1
Peak:m/z	Relative Intensity
51.02381	0.7
53.03963	0.7
55.05512	2.5
57.07075	1.2
59.04987	0.6
66.47173	0.5
67.05504	3.2
67.52839	0.5
68.99796	0.9
69.03429	1.5
69.07075	3.3
71.04992	2.3
71.75797	0.5
76.18735	0.4
79.05489	9.9
81.07049	5.8
83.01343	1.2
83.04991	1.4
83.08646	1.0
89.06019	2.7
91.05482	6.7
93.07037	12.4
94.07356	0.7
95.04970	2.1
95.08604	2.5
97.06519	1.2
97.10201	0.7
105.07032	5.6
107.08589	8.8
109.06522	2.0
109.10136	2.6
111.04456	1.6
111.08091	0.5
113.06029	1.7
117.07026	0.9
119.08592	3.2
121.06521	1.4
121.10132	5.2
123.08073	1.6
123.11727	3.0
125.09651	0.6
129.07034	0.7
131.08574	2.7
133.06464	0.5
133.08623	1.4
133.10126	7.6
133.11044	0.7
134.10507	0.5
135.08084	1.0
135.11688	13.3
136.12007	0.8
137.06004	1.5
137.09622	1.1
139.03877	1.1
139.07578	0.6
139.11201	2.1
141.05489	0.9
143.08621	1.5
145.10124	1.8
147.08054	1.9
149.05911	0.8
149.09615	0.7
149.13182	0.6
151.07564	1.1
151.11165	2.7
153.05504	0.9
153.09114	0.8
155.03403	1.5
157.04967	0.6
159.08060	1.0
161.06020	2.6
161.09653	1.2
161.13237	1.2
163.07524	0.6
163.14822	1.0
165.09138	2.6
167.10689	0.9
171.08072	0.9
171.11546	0.5
173.13284	1.3
175.07588	1.8
175.14833	0.8
181.08597	0.8
185.13287	0.8
187.14799	0.7
189.09154	0.9
189.12836	1.3
191.07104	0.7
191.14316	1.6
193.08601	6.3
195.10188	0.7
202.77454	0.4
203.14304	0.6
205.08577	1.2
209.08147	1.1
209.15393	0.8
211.09630	10.3
213.12851	0.7
215.14285	0.9
217.08667	0.6
219.13803	0.7
221.15582	0.6
225.07687	0.6
227.09187	1.1
229.19054	0.5
231.13766	1.0
235.13309	1.0
237.14793	3.8
245.15355	4.4
247.13364	0.7
249.14827	0.8
259.13312	2.2
265.14502	0.6
273.11774	0.5
273.14868	2.0
275.20038	0.8
277.14490	1.6
291.16003	1.4
315.19476	0.8
343.19177	1.9
361.20096	4.3
362.50748	0.5
363.21494	0.9
379.21667	1.0
415.24786	1.3
417.22797	1.0
429.22787	3.1
445.21683	0.6
461.25500	1.5
465.23251	0.6
527.29712	1.1
553.35071	0.8
579.33008	1.7
597.34222	3.5
610.03589	0.5
615.38672	100.0
616.38989	14.3
638.43091	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15268	1.4
53.03941	5.4
55.01875	4.2
55.05515	17.0
57.03416	4.3
57.07067	6.3
59.98582	1.4
61.02919	5.0
65.03947	3.0
66.95738	1.4
67.05503	30.1
69.03430	23.1
69.07067	21.7
69.54678	1.4
71.04990	3.0
73.02899	2.3
76.02222	1.6
77.03887	1.4
79.05489	25.8
81.03422	10.9
81.07056	62.7
82.07374	2.0
83.04983	24.1
83.08622	13.6
85.02902	31.2
85.06557	3.5
91.05477	32.6
92.05799	2.2
93.07040	60.9
94.07354	3.1
95.04978	15.9
95.08606	78.4
96.08920	2.3
97.02908	14.4
97.06543	4.7
97.10152	4.9
99.04456	2.6
99.08064	2.7
103.05452	4.8
105.07027	71.4
106.07298	1.7
107.04946	3.5
107.08591	87.6
108.08916	3.3
109.02876	7.1
109.06532	10.5
109.10158	52.6
110.10512	2.4
111.04504	1.8
111.08093	8.5
111.11664	1.5
115.05448	3.3
117.07001	11.7
119.04935	2.4
119.08580	100.0
120.08938	3.4
121.06509	3.9
121.10144	65.6
122.10497	2.8
123.04427	4.7
123.08030	7.3
123.11711	24.0
124.07625	2.6
125.06001	2.7
125.09634	10.7
127.03896	9.0
128.06198	3.0
129.07043	7.9
130.07774	3.9
131.04924	3.6
131.08568	36.7
132.08908	1.6
133.06522	1.8
133.10129	59.2
134.10493	2.8
135.04460	1.6
135.08083	5.4
135.11696	28.8
137.05977	11.8
137.09641	8.8
137.13211	3.3
139.07510	1.5
139.11153	3.1
141.07005	2.3
142.07803	3.6
143.08560	25.2
144.09328	4.4
145.04916	2.3
145.06458	2.8
145.10121	72.3
146.10490	3.4
147.04437	3.4
147.08127	1.7
147.11674	34.9
149.05998	2.4
149.09625	8.8
149.13263	17.3
151.03912	5.8
151.07480	4.1
151.11151	8.2
153.01807	2.2
153.09123	7.4
155.08539	4.7
156.09236	1.5
157.10127	17.6
158.10895	4.0
159.08092	2.1
159.11694	53.8
160.12006	2.3
161.05943	2.9
161.09680	1.9
161.13255	30.8
163.03993	2.1
163.07550	5.2
163.11203	8.1
163.14801	14.5
164.11467	1.6
165.05475	1.9
165.09132	3.2
165.12729	7.8
167.06982	3.5
167.10713	2.6
169.08765	2.2
169.10185	4.4
171.11684	12.2
173.09659	4.7
173.13252	33.2
175.07474	2.3
175.11140	1.9
175.14830	30.7
176.15012	2.0
177.05484	2.0
177.09108	4.6
177.12799	4.8
177.16374	20.8
179.07076	1.5
179.08627	1.6
179.10652	4.1
181.08585	2.0
182.10994	1.7
183.11664	7.1
185.13289	10.5
186.14006	2.2
186.35497	1.5
187.14812	72.2
188.15097	4.6
189.09135	2.6
189.16374	64.7
190.16667	3.5
191.03363	2.2
191.10541	2.1
191.14310	21.2
191.17960	20.3
192.18391	1.6
193.04982	2.4
193.15880	4.0
197.13289	6.7
199.14842	18.3
200.15349	1.9
201.16385	64.5
202.16728	3.8
203.14323	1.7
203.17952	16.6
205.12241	10.5
205.15820	9.0
205.19392	1.5
206.12646	7.3
207.06549	1.7
207.17430	5.4
211.07587	1.6
211.14838	6.0
213.16382	50.1
214.16631	3.4
215.17957	59.0
216.18288	4.2
217.15962	14.2
217.19516	13.2
219.17439	40.4
220.17853	3.1
223.14812	3.2
225.16380	3.0
227.17903	7.6
229.15817	3.3
229.19479	4.5
231.17441	2.7
231.21083	1.7
233.15404	2.3
233.19026	11.7
235.14758	1.9
235.16911	29.9
237.16461	1.8
239.17975	6.2
241.19518	10.6
242.19968	1.8
243.21088	8.9
245.22620	3.6
247.16960	17.1
253.19659	3.3
255.21066	9.7
257.22638	3.4
261.18475	29.4
265.19815	1.5
267.21118	19.7
268.21356	2.3
269.12851	1.9
269.22647	4.0
281.22681	6.2
283.20923	1.7
283.23935	2.7
289.21790	1.9
299.09213	2.6
301.21487	1.9
305.24994	1.7
309.25739	1.9
311.23615	3.1
327.22974	1.7
333.25815	2.9
337.25354	2.0
351.26834	5.0
355.26328	2.0
389.32059	15.4
407.33063	89.8
408.33502	9.7
409.34747	8.5
417.31686	2.1
423.32672	2.3
435.32599	13.2
436.32925	1.8
453.33698	12.6
454.33731	3.5
458.17126	3.1
459.17770	2.2
475.27243	1.9
523.87738	1.8
583.25604	2.9
615.25842	2.1
615.35516	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	615.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	5.8
55.01873	9.1
55.05251	4.6
55.05508	83.5
56.05833	2.4
57.07055	9.7
62.79507	2.4
65.03930	3.3
67.05152	4.1
67.05502	79.2
69.03427	8.1
69.07066	53.1
69.67135	2.7
71.04991	4.7
71.08611	6.0
71.33823	3.8
73.83012	2.6
79.05492	55.5
81.07053	87.9
82.07384	4.3
82.57492	2.7
83.04971	9.7
83.08617	55.5
85.06534	7.1
85.10154	4.5
86.10564	3.0
87.04456	2.7
87.88438	2.7
89.06030	10.0
91.05457	22.4
93.07034	63.6
95.04954	3.2
95.08603	60.0
97.06531	15.9
97.10165	95.9
99.08079	5.0
104.21896	2.9
105.07009	21.0
107.07907	4.7
107.08589	46.4
109.06527	4.9
109.10154	32.6
111.08073	7.6
111.11704	4.0
117.07024	12.5
119.04932	3.6
119.08590	25.0
121.09270	3.0
121.10138	52.5
123.08054	3.2
123.11706	7.8
125.09624	78.5
131.08545	15.7
133.08604	5.8
133.10127	23.2
135.08041	6.5
135.11687	32.7
137.09604	5.5
137.13179	3.4
139.11163	22.4
143.08522	4.7
143.10706	4.7
144.20168	2.4
145.10138	13.5
147.04408	11.8
147.11708	16.2
149.09631	2.6
149.13213	6.7
153.09093	18.6
157.12247	6.8
159.11674	11.2
161.09616	4.1
161.13231	10.3
163.03967	3.6
163.14813	3.8
168.02852	3.1
171.10277	5.2
171.11671	7.9
173.13223	6.7
175.14850	6.4
179.14279	3.8
183.11754	4.8
185.13263	2.7
187.14783	4.9
189.11212	100.0
189.16388	4.4
190.11501	3.5
201.16393	5.4
203.90128	2.6
211.14928	2.9
215.17906	3.5
217.19501	13.1
235.20595	12.8
251.20021	2.8
253.21684	8.2
255.17467	3.6
263.19977	2.8
275.20190	4.0
279.23242	7.0
291.19516	2.8
297.24310	7.6
309.20145	2.6
327.21750	4.3
355.29788	2.8
359.29416	3.2
369.27765	10.7
373.31042	35.6
382.29117	2.6
387.28854	32.7
391.32019	48.8
392.32187	5.5
397.70172	2.9
405.30002	67.7
406.30261	9.7
409.33069	19.9
410.34338	3.2
423.31149	14.4
431.31342	3.6
525.39386	9.4
543.40424	36.3
544.40991	2.8
561.41479	72.7
562.41626	9.2
579.42645	25.1
597.33972	3.9
615.37152	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	615.4826
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69045	6.3
53.49538	6.9
54.07697	7.6
54.90937	6.7
55.05504	31.7
57.07067	97.5
66.51419	8.1
67.02065	8.5
67.05502	100.0
69.07074	50.8
71.33881	11.5
79.05484	43.5
81.07064	84.7
83.04959	14.9
83.08607	29.9
89.06020	16.1
91.05474	23.0
93.07057	48.5
95.04958	10.1
95.08603	75.2
97.06519	12.7
97.10159	14.2
105.07026	21.0
107.08582	35.6
109.10133	42.6
119.08543	20.3
121.10147	33.6
123.11683	14.7
127.11169	40.5
133.08611	8.8
133.10123	18.0
133.95779	7.7
135.11678	17.7
139.11116	10.2
145.10162	16.4
147.11661	10.7
157.15746	7.0
159.11700	9.4
161.13275	9.1
261.22134	19.1
279.23239	65.9
297.24200	62.3
327.56714	7.5
358.75113	9.4
399.32813	14.0
405.33517	12.4
417.33447	24.0
418.04550	7.6
435.34720	45.0
453.35678	33.2
528.24274	7.1
543.44678	8.1
561.45142	11.4
615.40912	8.4
615.50476	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	615.4834
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	10.4
55.05510	66.9
57.03424	6.6
57.07080	10.2
67.05502	77.5
69.04752	64.7
69.07074	46.9
71.04970	9.0
71.08615	9.4
77.86925	5.4
79.05491	48.9
81.07056	98.1
83.08606	37.5
89.06015	15.5
91.05472	30.9
93.07046	32.3
95.04979	11.6
95.08605	70.4
96.38915	6.0
97.06553	6.1
97.10170	67.5
103.66216	5.6
105.07010	19.9
107.08600	52.7
109.10130	42.4
111.08058	7.4
111.54716	6.2
113.13192	6.3
116.48701	5.3
117.06991	7.1
117.19691	6.4
119.08556	15.2
120.04201	5.7
121.10130	23.6
123.11695	19.0
125.09632	58.7
131.08565	19.7
133.08592	12.1
133.10161	16.2
135.08090	7.3
135.11702	21.3
135.70609	6.6
135.88091	5.8
137.09618	6.6
145.10117	14.3
147.11707	8.8
151.11163	7.9
153.09131	19.9
159.11685	10.7
161.13242	13.0
163.11057	6.5
171.10158	7.2
173.11758	7.5
179.14163	10.1
189.11194	100.0
193.08578	7.0
211.09674	9.7
211.42076	7.7
253.34209	7.7
261.22171	13.5
279.23199	64.4
294.95718	5.9
297.24234	33.6
301.23727	14.6
413.30426	19.2
431.31558	60.0
449.32428	22.6
586.30054	6.5
615.38263	7.9
615.48694	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	615.4977
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.2
51.25318	0.8
52.21004	0.9
53.03949	2.6
54.78995	0.7
55.05513	15.7
57.03429	5.6
57.07070	5.8
62.25644	0.8
65.03938	1.5
67.05502	47.1
69.07066	20.9
69.12279	2.7
69.12701	5.9
69.78374	0.8
70.70699	0.8
71.05014	1.4
71.08623	2.3
74.50186	0.9
79.05032	1.6
79.05489	21.6
81.07052	47.4
82.07388	0.9
83.04990	1.3
83.08617	12.4
85.06548	2.8
85.10182	1.4
89.06030	1.2
91.05472	15.5
93.07041	29.7
95.04980	1.4
95.08601	42.8
96.08974	1.0
97.06541	2.3
97.10164	8.0
99.08100	1.9
103.05443	1.2
105.07021	19.7
107.08591	22.3
109.06477	0.8
109.10149	20.3
111.08086	1.8
111.11710	1.2
117.07007	5.2
119.08575	18.4
121.10148	18.5
121.45770	1.0
123.08094	1.0
123.11700	9.8
125.09621	2.1
127.11241	0.9
129.06981	1.5
131.08566	12.5
133.08615	2.2
133.10117	14.9
134.07961	0.8
135.11693	13.8
137.09727	1.0
137.13272	2.9
139.11194	1.4
141.06969	0.9
143.08577	2.4
145.10114	11.3
147.11673	10.7
149.09648	1.0
149.13260	8.7
151.11237	1.1
151.14888	1.4
155.08588	1.4
157.10147	3.5
159.11699	8.6
161.13248	8.8
161.14377	1.1
163.14822	5.2
165.16406	1.1
169.10229	0.9
171.11700	2.7
173.13254	6.4
175.14801	4.1
177.12865	0.9
177.16438	2.5
179.14261	1.0
179.18091	1.1
185.13281	3.4
187.14804	4.4
189.16446	2.5
197.13368	1.0
199.14848	2.0
201.16440	2.2
203.17960	1.6
205.19560	1.7
211.14975	0.9
215.17941	1.8
219.21167	1.3
224.91713	0.9
231.20950	1.5
233.19063	1.4
233.22670	1.4
241.19711	2.3
243.21140	2.9
245.22707	1.7
247.20697	1.6
255.19481	1.2
259.20535	7.6
261.22156	14.1
263.23825	2.4
269.06500	1.0
273.22177	1.2
281.21069	1.0
283.22916	0.9
287.23703	1.5
289.25436	1.1
299.23810	1.3
309.24057	1.0
315.23410	1.3
315.26999	0.9
317.24783	2.1
327.27048	1.1
333.24298	2.6
335.25790	11.6
337.27435	15.4
338.27808	1.3
339.25571	1.1
339.29022	6.3
340.29233	1.1
363.29172	1.0
383.33127	1.0
417.33627	0.9
475.84015	1.0
489.40106	1.0
505.44550	1.7
523.45282	6.2
531.40247	1.4
541.46368	4.6
597.48877	14.6
598.48834	1.2
615.49792	100.0
616.49982	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	615.4979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.0
53.39825	1.1
55.05514	18.3
57.03439	5.1
57.07070	5.3
65.03940	3.7
66.65529	1.3
67.05503	51.5
68.05857	1.6
69.07063	25.2
71.05010	1.4
71.08631	3.6
79.05491	27.1
81.07052	56.9
83.04984	1.5
83.08613	12.9
85.06542	2.8
89.06009	3.0
91.05473	20.4
93.07037	35.7
93.07579	2.6
95.04970	3.0
95.08605	43.2
96.08936	2.6
97.06538	3.6
97.10156	7.3
98.23428	2.0
99.08105	2.4
105.04501	1.5
105.07027	22.1
106.07318	1.3
107.08591	21.0
109.06572	1.3
109.10154	21.0
110.10508	1.9
111.11724	2.3
117.07010	5.7
119.08580	21.8
121.10151	19.7
123.08047	2.0
123.11692	9.8
125.09647	2.5
129.07053	2.7
131.08559	10.5
133.08652	1.6
133.10117	19.5
135.11674	14.0
137.13239	2.4
143.08540	3.1
145.10097	10.2
147.11670	15.2
149.13274	10.3
151.14854	2.6
157.10152	4.2
159.11682	8.5
161.13245	10.0
163.14760	6.2
171.11696	3.6
173.13249	8.0
175.14867	5.6
177.16441	3.4
179.14360	1.9
185.13300	3.8
187.14783	3.0
189.16345	2.0
199.14833	1.9
205.19423	1.5
229.49217	1.8
233.22801	1.8
241.19737	3.1
243.21132	2.6
245.22766	2.3
259.20587	5.6
261.22089	13.3
262.22641	2.1
263.23758	2.3
277.21677	2.8
279.23425	1.5
287.23737	2.6
317.24734	2.5
333.24258	2.2
335.25766	9.2
337.27393	12.8
338.27728	2.0
339.29080	7.5
339.72836	1.5
413.81766	1.3
424.77222	1.5
460.80322	1.5
519.41168	1.5
523.44897	4.2
531.40692	1.5
541.46057	3.5
547.68213	1.5
597.48724	13.3
598.49182	2.8
615.49768	100.0
616.50079	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	616.187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.3
54.48061	1.1
62.24545	1.3
65.03937	3.4
69.03432	5.8
81.03422	8.8
85.02910	5.4
88.76958	1.3
97.02920	6.2
105.07032	1.2
107.04931	3.5
109.02895	4.7
121.02859	100.0
122.03181	2.5
123.04478	2.0
125.63227	1.2
127.03894	3.2
135.04422	1.9
137.02353	7.2
137.05936	7.3
139.03891	46.0
140.04282	1.9
145.04942	2.2
145.06479	2.8
153.01810	18.8
153.02945	2.2
154.02214	3.1
155.02408	1.7
157.06538	1.7
167.07034	12.4
175.07527	1.5
177.61240	1.2
187.07558	2.9
190.06114	1.8
205.08600	5.3
209.07813	1.4
217.08609	6.5
231.10149	2.6
247.09735	3.2
249.11223	1.8
259.11978	1.9
265.06982	8.4
277.03412	2.6
283.08145	13.4
291.10260	1.8
303.01144	2.1
315.08691	2.4
317.07690	2.1
319.04584	3.5
323.12613	1.4
330.10953	4.8
351.12402	2.4
383.14853	13.4
385.16324	2.8
401.16037	3.9
419.14374	1.3
617.22046	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	616.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.9
55.01867	3.0
57.03439	1.3
65.03944	1.3
69.03426	3.3
69.81960	5.0
71.72459	1.0
71.96004	1.0
78.04697	1.5
79.05476	7.4
81.03420	8.6
85.02900	11.9
91.05492	4.5
92.27207	1.1
95.05029	1.8
95.28717	1.1
97.02874	5.2
97.10741	1.0
99.04449	1.6
103.05470	1.9
105.07037	3.1
106.04152	1.7
107.04961	19.1
107.05672	1.5
109.02885	2.4
109.06490	1.8
115.05429	5.8
116.06287	1.5
116.21790	1.1
116.68427	1.0
117.07004	7.9
121.06541	1.4
123.04421	4.8
124.05214	3.3
127.03897	2.6
128.06178	2.3
129.07007	4.6
129.56966	1.0
131.04959	1.4
131.08549	8.0
131.19347	1.0
133.06512	2.8
137.05940	1.8
141.06918	5.8
143.04936	1.1
144.05681	6.8
144.06647	2.0
145.04965	2.5
145.06494	15.2
147.04428	1.1
147.08041	1.7
152.04674	3.2
153.01831	2.0
153.05466	1.4
155.06030	2.9
155.07149	1.6
156.05672	10.6
157.06467	4.0
158.07213	2.2
159.08041	14.0
161.05991	3.7
162.07658	4.2
167.07031	81.7
168.05803	1.2
168.07417	2.3
169.06435	1.7
169.07664	1.5
173.05980	22.8
174.06544	1.5
175.07584	2.0
177.05516	1.5
180.08740	3.9
181.04918	2.7
181.08582	1.8
183.06543	1.8
184.05199	2.7
186.06766	3.3
187.07518	12.0
188.07832	1.8
190.06236	16.7
190.07811	1.1
191.06953	3.2
192.09334	1.2
193.08487	1.7
201.09084	2.8
202.06253	4.5
202.07857	1.3
203.06932	1.5
203.74329	1.1
204.07782	2.3
205.06673	1.3
205.08559	34.1
206.07150	1.2
206.09035	1.3
207.06541	3.4
208.05193	4.6
215.06996	2.7
217.08568	36.4
218.07217	2.5
218.09111	2.1
219.08073	8.1
219.10178	5.5
220.08754	2.7
221.05975	2.6
223.09671	1.3
229.08600	5.9
229.53185	1.2
231.08014	4.2
231.10097	2.3
232.08887	1.7
233.09685	3.4
235.07512	2.7
235.09447	9.9
236.08321	3.0
239.07115	1.3
245.09604	2.6
246.06792	1.4
247.07471	6.8
247.09708	17.8
248.08188	8.4
249.05475	1.6
249.09041	2.6
250.06293	1.5
251.10747	2.0
254.05678	3.2
259.07684	1.9
261.09085	4.0
262.09912	3.8
263.07083	2.5
263.10681	6.4
264.07703	7.1
265.08398	3.2
265.10757	11.9
267.06543	1.6
268.03595	1.2
269.05173	1.5
269.08047	10.3
271.09689	4.9
272.06720	1.4
273.08997	1.5
275.06973	4.6
276.07611	5.7
277.08530	5.2
279.07385	1.3
279.10107	6.9
280.10855	1.8
281.07971	2.8
282.05704	1.7
282.08640	5.3
284.06732	2.1
285.07385	1.7
287.09219	1.6
289.08429	1.4
290.09351	2.2
291.10080	10.9
292.07260	3.4
292.10486	1.3
293.08060	6.4
294.08762	1.4
296.10400	2.0
297.07364	1.2
299.09067	3.7
301.06934	1.8
305.08221	2.4
305.11578	1.4
307.09708	9.6
308.10394	7.5
309.11163	1.8
310.08337	3.7
311.12598	2.7
311.27936	1.1
315.08588	31.5
316.09088	3.7
319.09726	7.0
321.07541	3.4
321.11127	2.1
322.08331	1.8
322.11835	1.6
323.12762	9.6
324.09964	1.7
324.13324	1.3
325.10468	1.8
328.09387	1.6
330.10944	50.7
331.11591	13.6
335.09219	1.3
336.09958	4.3
337.10574	6.2
338.11395	1.3
339.12183	7.3
340.12741	2.4
341.10266	1.6
343.11728	9.9
350.11389	2.3
351.12213	18.7
352.12872	3.8
353.10135	6.2
355.12079	1.2
356.12573	2.7
368.12506	9.4
369.13229	7.2
370.13940	1.3
371.14880	8.3
372.15063	1.6
378.86594	1.5
383.14859	100.0
384.15042	9.0
401.15903	52.3
402.16220	3.8
503.92581	1.2
594.29535	1.3
625.89398	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.8
54.07011	2.4
57.03431	2.9
61.02938	2.6
69.03426	9.4
69.84570	2.3
71.63269	2.5
78.04702	3.0
79.05490	8.8
81.03431	13.0
85.02899	14.3
91.05470	7.0
93.07034	3.7
96.36908	2.4
97.02895	8.4
103.64738	2.3
105.07034	4.8
107.04961	26.6
109.02878	5.2
115.05453	5.1
117.07033	6.6
121.02869	75.5
121.06490	3.6
123.04433	8.2
124.05247	3.0
127.03918	6.8
128.06224	4.1
129.07007	5.3
131.08609	5.3
133.06490	3.4
137.02354	44.4
137.03394	3.5
137.05943	5.1
139.03917	29.2
141.07001	3.8
144.05687	4.7
145.04918	2.7
145.06483	14.9
147.04478	2.6
151.03871	4.5
152.04637	3.6
153.01791	20.5
156.05708	10.4
157.06487	2.7
159.08081	13.5
161.05995	3.4
166.66759	2.8
167.07040	100.0
168.07387	3.2
173.05956	13.9
175.07503	2.8
177.05502	2.5
179.07037	3.3
181.08578	15.4
185.06015	3.2
187.07547	13.4
190.06206	7.9
191.03406	3.2
191.06975	2.4
193.08653	8.4
194.05235	2.4
199.07611	5.1
202.06238	4.8
203.06981	3.5
205.08551	22.5
205.09853	2.2
215.07025	3.2
217.08611	38.9
219.08099	6.0
219.10193	9.2
219.98869	2.5
231.08057	3.7
231.10081	15.9
233.09630	6.2
235.07501	3.2
235.09598	4.4
247.07492	7.0
247.09702	14.7
248.08151	4.5
249.11232	7.2
254.05777	3.9
261.09024	3.2
263.10678	5.2
264.07864	5.9
265.06894	4.7
269.08160	4.3
271.09869	4.7
275.07153	4.9
276.07913	3.6
277.08624	3.4
279.10141	6.0
283.08066	7.2
291.10278	6.3
293.07990	7.6
293.11349	3.4
307.09537	7.1
308.10364	5.7
310.08551	3.6
315.08704	17.6
319.04462	21.1
319.09378	2.9
321.11163	4.6
323.12769	6.1
330.11020	24.8
331.11597	8.0
336.09879	5.5
339.12164	6.5
343.11850	4.9
351.12253	8.5
353.10016	5.7
353.13983	3.5
368.12686	9.7
369.13040	4.2
371.14865	7.9
383.14911	73.9
384.15176	8.0
385.16522	21.1
401.15958	39.9
452.02194	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	616.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71396	1.3
54.53741	1.2
59.00897	1.0
63.53539	1.0
69.64276	5.9
79.05491	4.9
91.05483	2.7
93.07012	1.5
95.04946	3.2
95.08641	1.5
100.74284	1.1
103.05479	4.9
105.07019	4.3
107.04945	42.2
108.05292	1.4
115.05472	4.0
117.07053	1.7
123.04466	1.3
126.84483	1.2
127.62575	1.3
135.08035	11.6
145.07637	1.2
145.10110	3.1
147.04385	2.4
154.06273	4.2
158.07253	2.5
163.07535	21.9
167.07028	31.0
167.08475	1.5
173.09673	4.3
180.07813	4.0
181.08607	4.6
183.89232	1.4
195.10153	100.0
196.10466	5.6
201.09131	6.4
233.11690	6.0
251.12686	1.6
370.08969	1.3
374.45926	1.5
387.18036	5.2
428.41043	1.3
532.12366	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43368	1.8
53.03951	2.5
55.01878	4.7
55.05513	6.5
55.33307	1.9
57.69696	1.8
65.03940	4.7
67.05502	9.5
69.07069	5.9
69.16144	18.9
71.04981	3.9
79.05494	9.4
81.03416	2.2
81.07063	13.3
83.08607	6.3
85.02911	2.1
85.06528	4.2
87.01468	1.8
89.03914	5.6
91.05487	13.9
93.07044	10.1
95.04986	5.0
95.08607	14.6
97.06546	3.6
105.07043	9.5
107.04951	10.9
107.08590	11.1
109.10147	8.3
111.04430	2.8
115.05518	2.1
117.03374	4.0
117.06977	3.9
117.52174	2.0
118.09099	2.1
119.04940	8.4
119.08581	11.7
120.69138	2.0
121.06526	6.8
121.10146	7.7
123.04374	5.2
124.05157	2.2
128.06210	2.5
129.66591	2.1
131.08591	6.9
133.06509	4.9
133.10124	7.6
135.04442	7.3
135.08069	3.0
135.11688	5.4
137.05972	4.5
143.08563	3.2
145.02843	6.3
145.10129	7.7
147.04402	37.8
147.11659	4.9
149.13283	2.5
149.40022	2.1
153.05476	20.6
157.10152	4.1
158.02982	2.4
158.07195	3.4
159.08112	7.6
161.13229	2.5
163.03893	47.3
163.07530	2.5
167.07033	100.0
167.08473	4.9
168.07474	2.0
171.08055	3.5
171.11688	2.5
173.09602	11.8
173.13277	2.3
175.14952	3.5
177.16435	2.1
178.07967	2.8
179.08568	3.3
179.75711	2.1
181.08636	17.9
185.13416	2.5
187.07599	11.6
187.14813	2.7
189.16394	4.9
190.07777	3.7
190.22229	3.0
193.08655	5.5
195.08206	4.4
195.10205	13.9
201.09125	14.7
201.16434	3.1
203.10719	3.9
203.17979	3.8
205.10100	7.0
207.08110	6.1
207.11783	3.0
208.05174	3.8
209.09653	5.4
211.07780	2.5
211.09628	9.3
218.07341	8.0
219.07928	3.8
219.10149	4.4
220.08714	5.5
221.09596	4.1
222.10420	9.7
223.07413	2.5
225.09172	3.6
233.05904	2.5
233.09575	14.5
233.11790	12.7
234.12505	7.3
235.07611	12.4
235.11179	7.8
235.13298	13.9
237.09117	6.9
237.12727	8.1
239.07011	3.7
239.10840	2.5
248.08348	10.0
249.08972	6.6
250.09929	11.7
251.07039	6.1
251.10863	3.7
252.03874	2.1
252.11440	3.2
253.12177	8.9
261.09207	4.8
262.09637	2.7
263.10724	10.7
264.11386	2.3
265.08633	11.4
265.12250	33.2
266.09509	2.3
266.12494	5.3
267.13937	4.4
269.08139	6.3
269.11423	2.1
278.09436	5.1
279.10211	4.0
280.10980	5.3
281.11661	6.7
291.10074	8.9
293.08414	5.3
293.11667	89.9
294.12076	7.4
295.13174	10.6
297.11264	4.5
297.14740	5.3
308.10635	4.6
312.13553	2.9
323.12671	16.5
324.13477	2.4
325.10721	2.7
325.14246	11.2
327.15860	11.9
340.12787	3.1
348.34488	2.3
355.15359	88.9
356.15656	6.8
387.17941	68.3
388.18332	6.2
616.33118	4.6
617.37750	7.6
618.25531	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	616.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74118	0.6
53.03937	0.7
55.05502	1.8
57.07053	0.6
61.77723	0.5
67.05494	2.0
69.07053	0.9
69.38642	3.9
77.03909	0.7
78.04702	1.7
79.05497	3.4
81.07056	3.3
83.08605	1.6
85.02911	0.6
89.06075	0.6
91.05466	4.6
93.07043	2.1
95.08588	2.8
97.06537	1.2
97.10164	0.8
97.79364	0.6
103.05460	3.7
105.07026	17.2
106.07322	0.6
107.04942	5.2
107.08595	1.9
109.10126	1.5
115.05459	2.2
118.04143	1.1
119.04952	2.1
119.08568	2.4
121.06477	1.3
121.10142	2.5
123.04451	3.2
123.11657	0.6
124.05219	1.1
131.04895	1.1
131.08513	0.9
132.05698	1.0
133.06482	15.8
133.08617	0.8
133.10110	1.8
135.08058	6.3
135.11670	0.7
137.05946	2.8
145.10085	2.0
147.04398	5.8
147.08069	1.2
147.11589	1.3
149.05983	1.0
150.06754	2.3
152.04677	0.7
157.10080	0.8
161.05960	11.4
161.13332	1.0
162.06738	0.8
163.03920	2.5
163.07553	4.8
163.11157	0.9
165.05507	2.2
165.09125	3.0
167.07031	80.8
168.07349	4.0
173.13211	0.9
175.14821	0.6
177.05418	1.1
178.06177	0.8
178.09856	2.1
187.14886	0.7
189.16379	1.7
191.06982	1.3
191.10701	0.9
192.07813	19.2
193.08592	100.0
194.08951	4.3
195.10234	1.6
201.16354	1.1
206.09367	1.8
207.10101	1.3
221.11719	14.4
222.12091	0.9
389.31921	0.7
407.33118	0.7
435.32446	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.4775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	36.4
57.07081	4.4
67.05507	23.8
69.07063	23.1
79.05482	22.5
81.07051	37.5
83.04979	5.2
83.08627	23.6
87.78870	3.9
91.05491	6.5
93.06504	3.4
93.07024	20.7
94.89909	3.6
95.08614	19.6
97.06519	5.3
97.10172	47.0
105.07033	7.0
107.08588	18.3
109.10133	17.1
121.10116	18.3
123.11680	6.7
125.09639	53.5
133.10098	7.6
135.11722	7.4
139.11133	18.3
143.10596	4.1
153.09096	15.2
189.11217	100.0
225.86113	3.5
237.22115	7.1
255.23274	10.5
323.06540	3.8
327.21375	3.7
339.28793	7.5
375.32227	5.0
393.33572	19.5
411.34677	21.7
437.02826	4.2
448.05701	5.2
616.46387	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	617.077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	0.4
51.02383	1.2
53.03933	0.5
57.02676	0.4
62.61863	0.4
64.65508	0.3
69.03416	0.8
70.49891	0.4
70.50240	0.9
79.01852	6.6
79.02309	0.2
80.12286	0.3
81.03407	0.8
97.02885	1.6
102.55695	0.4
105.88770	0.4
107.01314	1.6
109.02888	1.4
123.00774	0.5
125.02345	3.1
127.03909	3.9
131.04904	0.4
139.03922	0.5
139.43756	0.4
143.02356	0.7
143.03391	6.9
145.04959	0.9
148.98619	0.4
153.01819	100.0
154.02148	2.3
157.02811	0.5
179.03471	0.4
187.03879	1.0
191.03423	0.6
195.02878	0.4
201.01816	0.7
203.03488	0.9
205.04906	0.6
213.01836	0.9
215.03400	1.2
219.02754	0.4
223.61769	0.4
229.01347	0.9
231.02867	4.2
233.04533	0.6
241.01300	1.2
247.02361	0.9
257.00867	0.6
259.02356	7.0
259.27911	0.4
261.03946	0.9
261.71317	0.4
275.01901	2.1
276.02573	0.9
277.03409	21.6
278.03900	0.8
285.00348	0.5
297.06366	0.4
303.01334	12.1
321.02386	0.4
345.02283	0.4
429.93311	0.4
432.04874	0.4
617.12030	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1132
Annotation	Quercetin 4'-(6''-galloylglucoside)
Peak:m/z	Relative Intensity
50.01596	0.3
51.02376	0.6
52.29387	0.2
53.00313	0.3
53.03950	0.2
55.01868	0.5
57.03428	0.2
57.11288	0.1
61.02930	0.1
65.03940	0.4
68.99796	0.6
69.03430	0.5
70.06561	0.2
71.33861	0.2
73.02909	0.2
79.01851	4.6
81.03408	1.1
83.43321	0.1
85.02907	1.2
91.05469	0.2
93.03418	0.3
93.07108	0.2
95.04980	0.3
97.02886	1.7
99.04472	0.2
99.71362	0.2
103.05469	0.2
105.03423	0.2
105.07037	0.3
106.04176	0.3
107.01316	1.5
107.05030	0.3
109.02872	1.1
111.00817	0.7
113.38570	0.1
115.05433	0.2
116.30006	0.1
117.27648	0.1
121.02877	1.3
121.06525	0.4
123.04456	0.6
125.02358	2.8
127.03907	1.5
127.30850	0.1
128.92212	0.2
131.04915	0.2
133.02866	0.2
133.06516	0.2
137.02324	2.7
137.03342	0.3
137.05977	0.3
138.02655	0.2
139.03900	0.3
143.03392	5.9
145.04939	0.4
149.02354	0.2
149.06000	0.8
151.03917	0.9
153.01822	100.0
153.02856	5.2
154.02156	2.5
155.04993	0.2
161.06004	0.7
162.06282	0.1
163.03905	0.7
163.07568	0.2
165.01833	1.6
166.02486	0.2
167.07036	0.2
171.02884	1.2
173.06007	0.4
177.05476	0.5
178.05731	0.2
181.04956	0.2
183.02924	0.6
183.04272	0.2
187.03928	0.5
191.03540	0.3
191.07011	0.4
193.04820	0.2
193.08626	0.6
194.08949	0.2
195.02849	1.0
201.05455	1.7
205.05060	0.2
209.08093	1.3
210.08441	0.6
219.06737	0.3
228.04272	0.2
229.04948	3.5
239.03334	0.2
245.04424	0.2
247.05948	0.6
255.05038	0.4
257.04453	2.2
274.04758	0.5
275.05545	0.2
277.03476	0.2
284.12155	0.1
285.03967	1.1
285.07431	0.3
286.04352	0.2
297.05960	0.7
303.04965	66.0
304.05331	4.1
315.07135	4.3
319.08405	0.2
345.05939	0.5
355.39252	0.2
411.07083	0.2
447.08630	0.2
465.08340	0.2
527.91595	0.2
617.12756	0.2
617.22308	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90294	0.7
53.03934	1.5
55.01869	1.9
65.03922	1.3
65.85817	0.8
67.05492	1.1
67.47366	0.7
71.24482	1.3
71.24818	0.9
73.16222	0.7
78.04701	2.1
79.05490	2.3
79.98006	0.7
85.02911	1.1
91.05450	4.8
93.03406	3.4
93.07056	2.3
95.04990	2.7
97.06537	1.4
103.05470	3.5
105.07010	2.3
106.04169	8.8
107.04943	2.9
111.04523	0.9
119.04924	1.1
120.51695	0.8
121.06512	10.9
123.04435	6.8
123.08084	0.8
124.05160	0.9
125.05984	3.0
131.04909	1.2
133.06445	2.0
134.03635	1.3
135.04440	1.5
137.05951	4.7
137.07608	0.8
139.03940	2.5
139.07564	1.7
149.05971	17.7
151.03889	11.6
151.04997	1.9
151.07552	3.1
152.04668	1.8
153.01825	1.0
153.05409	1.0
153.09123	3.0
161.05972	2.5
163.07515	1.3
165.05440	1.9
165.09114	1.1
166.06186	1.4
167.07033	100.0
168.07434	2.2
177.05476	8.3
179.06952	0.9
181.05008	1.1
181.08585	14.2
191.07024	1.2
193.08624	8.4
195.06627	2.1
209.08073	28.1
210.08640	1.0
211.09644	31.5
221.47554	0.9
225.05630	0.8
260.52295	0.8
316.57864	0.8
361.16287	2.3
617.27673	2.6
635.48425	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95579	0.6
56.57399	0.6
59.04954	0.6
67.05478	1.8
79.05457	1.9
81.07001	2.1
91.05460	1.1
93.07011	0.7
94.06538	0.9
95.04901	0.7
95.08601	0.8
106.06532	1.1
107.08564	1.0
108.08108	1.1
119.08566	1.3
120.08056	0.9
121.10111	0.6
122.06017	1.7
124.07591	8.0
134.05986	1.6
136.07585	11.2
146.06000	6.4
148.07564	5.5
151.03839	0.8
152.07040	2.2
153.01817	1.9
164.07065	10.5
166.08589	2.2
172.03900	2.4
174.05446	3.2
174.09085	1.1
176.05618	1.3
176.07065	17.7
177.07457	0.9
183.06891	0.7
190.04930	1.5
192.06567	0.8
204.06447	1.1
210.11508	1.3
211.12233	1.4
221.10806	0.8
223.12320	1.5
224.09319	0.8
224.12923	1.0
225.10249	4.1
225.13727	0.7
226.10760	0.8
227.11801	0.9
235.12201	3.3
236.12997	1.3
237.10165	6.2
237.13731	0.7
238.10988	13.5
239.11755	8.0
240.12309	0.8
245.12880	2.2
249.10330	1.5
250.10907	1.4
251.11714	6.3
252.12543	1.4
253.09787	0.7
253.13336	2.8
255.11272	1.1
261.10175	0.8
263.09341	1.0
263.11765	4.9
264.09082	1.1
264.12274	1.1
265.09787	2.2
265.13351	10.5
266.10422	1.2
266.13965	0.8
267.11249	3.6
269.12894	2.1
271.14371	9.9
275.11710	1.7
277.10059	1.3
277.13376	4.0
278.10287	3.3
279.11264	100.0
280.11905	11.1
281.12668	3.7
282.13699	0.7
283.10864	1.4
283.14249	1.2
285.12360	1.1
287.13840	2.3
289.15320	1.2
291.11292	1.0
292.11877	0.9
293.09665	1.1
293.12805	5.2
294.13528	1.3
295.10815	1.4
295.14392	2.3
296.11548	1.4
297.12317	48.1
298.12936	6.5
299.13812	1.4
309.12326	14.5
310.12991	7.7
311.13815	4.0
315.13416	2.6
319.10657	1.0
321.12299	10.7
322.12970	1.5
324.11139	1.4
325.11819	4.3
326.12439	1.0
337.11783	22.3
338.12497	11.3
339.13373	82.1
340.13745	6.9
360.17004	0.8
369.14380	2.9
371.16028	10.2
372.16739	1.3
400.16391	1.7
402.18033	1.0
414.18149	0.9
416.19330	1.1
418.17346	1.4
422.20657	2.8
434.20499	1.0
442.17743	2.3
443.17847	1.0
444.18466	0.7
448.18710	1.4
449.19757	0.8
450.20291	2.1
460.18649	31.7
461.19168	5.3
462.20206	30.6
463.20596	6.1
464.21912	5.4
494.22888	2.4
495.23071	1.3
567.25995	2.3
585.27020	85.5
586.27325	10.6
617.29303	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	617.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.8
67.05500	3.9
69.03427	1.5
69.07062	1.6
69.22358	1.9
69.22781	4.7
75.89631	0.9
77.96510	0.8
79.05487	3.5
81.03426	1.9
81.07031	5.0
81.58645	0.8
83.04989	1.8
85.06538	0.8
86.05984	0.8
91.05485	4.1
93.07050	3.9
95.04970	2.3
95.08617	2.9
97.06532	1.2
97.10210	1.3
105.07040	2.7
107.04948	1.2
107.08609	3.3
108.08125	1.3
109.10171	3.0
111.08124	1.0
119.04926	1.1
119.08584	2.3
120.08107	1.2
120.39056	1.0
121.10155	2.6
122.06035	2.8
123.04452	1.9
124.07587	16.9
124.08439	1.5
127.03963	0.9
131.08543	1.8
133.10144	1.8
134.06017	2.3
135.11713	0.9
136.07555	15.4
137.05994	3.8
143.08591	1.3
144.04483	1.2
145.10164	1.4
146.05992	7.4
146.09596	0.9
147.04408	1.1
148.07576	9.0
149.09612	1.0
150.09093	0.9
151.03920	1.9
151.07529	1.4
152.07082	2.8
153.01846	3.0
159.11653	1.3
163.03903	0.9
163.07523	0.8
164.07054	14.4
164.08311	1.4
166.08612	11.7
171.11774	1.0
172.03951	3.4
173.04715	1.6
173.09630	0.9
174.05426	4.5
176.07037	16.5
177.05466	1.5
188.08440	0.9
190.04958	3.0
192.06619	1.1
203.10565	0.8
204.06567	5.9
206.08112	1.2
208.09705	1.2
209.10716	1.3
210.11430	2.0
211.12318	2.2
221.10738	1.7
222.11395	1.1
223.12308	1.4
224.09448	2.1
224.12958	1.4
225.10172	2.0
225.13951	1.5
227.11745	1.1
229.13313	1.0
235.08774	1.1
235.12357	3.4
236.13081	1.3
237.10109	8.7
237.13817	1.5
238.10959	11.8
239.11777	14.1
245.12865	3.0
246.07710	1.3
248.09456	1.4
249.10139	4.5
250.10977	2.7
251.11739	10.8
252.12444	2.2
253.13358	3.0
255.11407	1.4
262.11020	2.1
263.08936	1.7
263.11765	12.1
263.14212	1.2
264.08807	2.4
264.12555	2.8
265.09799	5.4
265.13373	22.1
266.10437	1.1
266.13995	1.9
267.11243	5.0
269.12881	4.1
270.13605	1.2
271.09830	0.9
271.14401	14.0
275.11871	2.1
277.09781	4.8
277.13385	3.3
278.10498	3.5
279.11261	100.0
280.11877	12.4
281.12762	3.5
283.10748	2.8
283.14169	1.8
285.12228	1.7
287.13867	3.1
289.15497	1.6
291.11340	3.7
292.12045	1.2
293.12793	6.9
294.13467	2.3
295.10745	2.8
295.14328	2.4
296.11777	2.8
297.12326	59.3
298.12982	9.5
299.13828	2.4
309.12302	31.1
310.13101	17.3
311.09335	1.0
311.13812	4.4
315.13480	3.2
319.10718	3.7
321.12323	10.6
323.10172	1.8
324.11069	2.4
325.11685	4.2
326.12451	1.4
329.14972	1.5
337.11795	54.7
338.12543	22.8
339.13358	68.7
340.13867	6.4
341.14001	2.4
369.14407	10.7
370.14987	3.3
371.15991	36.1
372.16437	2.5
385.14026	2.1
400.16617	3.0
401.17584	1.0
402.17783	1.4
418.17502	1.2
422.20691	3.8
442.17642	4.3
444.19205	1.2
448.18588	1.8
449.19504	1.5
450.20328	3.1
460.18674	53.1
461.19156	8.8
462.20200	47.2
463.20831	7.9
464.21768	11.4
480.21225	0.9
494.22778	16.3
495.23270	2.6
503.04544	0.9
567.25897	2.8
585.27057	44.2
586.27380	6.5
612.06726	1.0
617.28723	5.4
617.38330	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	617.383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.4
55.05515	16.7
57.07076	6.4
57.23153	2.3
62.74676	2.5
66.51009	2.4
67.05502	26.4
69.07063	24.3
69.12399	4.9
69.12798	19.3
71.05013	2.3
79.05480	15.7
81.07054	37.5
83.08618	15.9
89.03898	11.2
91.05482	19.8
93.07041	28.7
95.08604	55.5
97.10141	8.1
98.23406	3.1
105.07025	41.0
107.04964	3.5
107.08588	44.7
109.06507	3.1
109.10153	27.9
111.08056	2.6
117.03365	10.8
117.06995	9.1
119.04941	7.6
119.08568	64.5
120.08892	3.3
121.10127	29.8
123.08058	2.8
123.11698	9.0
125.09625	5.7
131.08551	21.4
133.10126	48.9
135.04431	21.8
135.11726	15.2
137.13251	4.5
137.38391	2.9
139.11089	2.5
139.59109	2.8
143.08546	9.0
145.02823	14.5
145.10107	37.2
147.04376	24.5
147.11676	34.7
148.04704	3.4
149.13217	12.0
153.09106	4.1
155.08531	3.0
157.10109	7.6
159.11676	25.8
161.13258	23.8
163.03891	100.0
163.14804	10.9
164.04222	5.5
165.05428	2.7
171.11661	10.8
173.11911	3.7
173.13200	16.0
175.14799	15.5
177.05420	4.1
177.16362	7.6
178.26563	3.0
183.11682	3.9
185.13257	7.1
187.14833	14.1
189.16385	54.9
190.16878	3.0
191.17928	13.5
199.14786	6.6
201.16368	51.1
202.16750	2.9
203.17950	44.7
205.15950	4.7
211.14891	2.8
213.16429	6.0
215.14487	3.1
215.17932	14.9
219.17484	3.9
225.16411	3.8
227.18027	5.5
229.19540	12.3
233.15225	3.1
235.16934	5.1
239.17821	3.7
241.19479	6.8
243.21062	17.7
247.16985	16.1
249.18541	4.6
253.19379	5.1
255.21100	7.4
261.18454	5.1
261.22168	3.9
275.19876	3.1
279.23206	11.5
281.22702	2.7
287.20016	11.3
299.20059	2.7
389.31924	4.7
391.33688	11.6
395.29074	4.3
407.33258	6.5
419.33105	5.1
435.32401	8.9
437.34161	72.0
438.34366	7.8
617.37457	14.4
648.68195	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	617.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	16.7
57.07077	11.7
67.05514	27.5
67.05811	5.5
69.04198	5.4
69.04523	53.7
69.07073	26.8
70.11417	5.1
71.08639	7.2
79.05489	18.6
81.07059	46.2
83.08618	13.8
87.04472	11.3
89.03890	6.5
91.05489	29.0
93.07042	40.0
95.08591	75.0
97.10153	10.2
105.07030	55.6
107.08582	49.3
109.06494	5.4
109.10130	45.4
110.10472	5.3
117.03345	13.7
117.07000	9.2
117.14069	4.7
119.04985	5.3
119.08570	91.3
121.10144	46.7
123.11727	13.5
131.08560	21.4
133.10115	70.7
135.04427	14.6
135.11713	25.2
137.13243	9.7
143.08615	5.6
144.09348	4.6
145.02832	11.2
145.10103	33.9
147.04408	19.9
147.11684	53.3
149.13239	22.4
156.09444	5.6
159.11707	31.8
161.13228	36.9
163.03905	99.7
163.14801	17.9
171.11668	11.3
173.13223	17.9
175.14810	28.4
177.09111	6.1
177.16417	11.6
185.13199	13.2
187.14795	22.1
189.16365	89.1
189.27229	5.4
191.17909	18.9
201.16376	68.0
203.17943	91.3
211.14914	5.9
215.17953	24.3
227.17781	5.3
229.19499	18.6
235.16943	10.8
239.17960	6.4
241.19479	11.6
243.21042	26.8
247.16919	19.1
253.67181	5.6
255.21051	20.8
275.20010	6.4
287.20050	22.1
295.24042	6.4
301.21500	9.7
391.33725	24.4
395.29330	6.9
419.88629	4.9
437.34149	100.0
438.34311	10.7
617.39435	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	617.3832
Annotation	(+)-Kopsoffine
Peak:m/z	Relative Intensity
53.94082	0.1
55.93032	0.1
65.03934	1.6
65.23005	0.1
66.73171	0.1
67.05518	0.3
69.07057	0.2
69.21895	0.3
69.22285	1.1
81.07056	0.4
91.05476	14.3
92.05813	0.4
93.07047	0.4
95.08613	1.3
105.06998	0.7
107.08595	0.6
109.10159	0.7
119.04938	27.8
119.08569	1.0
120.05243	1.0
121.10117	0.5
130.32834	0.2
133.10118	0.8
135.04373	0.2
135.11694	0.3
145.10120	0.3
147.04399	100.0
147.11659	0.5
148.04727	3.8
159.11685	0.4
161.13181	0.3
163.03999	0.7
173.13289	0.2
175.14806	0.2
177.16417	0.4
189.16383	0.9
201.16402	1.1
203.17906	0.7
215.18025	0.3
229.19408	0.2
283.24210	0.2
330.10669	0.2
337.96109	0.1
391.33643	0.2
425.34100	3.0
426.34430	0.5
437.33844	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.2
55.05511	0.2
57.07048	0.2
62.01588	0.1
62.93127	0.1
63.02352	0.2
65.03931	1.7
67.05495	0.6
68.04047	0.1
68.53548	0.1
69.07056	0.6
71.03533	0.1
77.03921	0.1
79.05488	0.6
81.07040	1.2
83.04955	0.2
83.08602	0.3
86.88647	0.1
89.03899	0.2
90.63537	0.1
91.05473	15.9
92.05817	0.3
93.07043	0.7
95.08583	1.3
95.09027	0.1
97.06525	0.3
97.10154	0.2
105.06999	0.7
107.08575	1.1
109.10133	1.0
117.07021	0.2
119.04935	28.9
119.08565	0.8
120.05276	1.0
121.10120	0.9
125.09594	0.1
131.08551	0.3
133.10112	0.8
135.04388	0.3
135.08031	0.2
135.11670	0.5
137.09560	0.1
143.08484	0.2
145.02847	0.2
145.10103	0.6
147.04396	100.0
147.11665	0.6
148.04733	3.5
149.13246	0.4
157.10086	0.2
159.11653	0.6
161.13254	0.5
163.03922	1.2
163.14816	0.4
169.10248	0.2
171.11653	0.2
173.13254	0.3
175.14803	0.4
177.16367	0.3
185.13222	0.3
187.14877	0.3
189.12759	0.3
189.16373	1.1
191.14220	0.4
191.17899	0.2
197.13251	0.2
199.14873	0.2
201.16472	0.6
203.14340	0.1
203.17926	1.1
204.18257	0.2
215.17984	0.2
217.15945	0.2
243.17511	0.3
247.16853	0.2
279.23288	0.2
285.39072	0.1
391.32953	0.2
395.32739	0.4
401.61536	0.1
407.32843	0.4
425.34103	1.6
437.34216	0.3
617.36621	0.5
617.48462	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	617.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.4
53.03945	3.3
55.05510	15.4
57.07078	3.3
58.64058	1.2
60.76881	1.4
60.83949	1.2
63.02377	1.6
65.03937	4.2
67.05505	34.9
69.03439	1.6
69.07059	18.8
69.24300	11.2
73.07308	1.3
79.05491	23.8
80.05875	1.4
81.03421	1.4
81.07055	52.7
82.07434	1.6
83.04996	1.7
83.08614	12.1
85.06529	1.7
89.03932	9.0
91.05475	28.7
91.06046	1.5
93.07043	42.3
93.07594	2.7
95.04971	4.5
95.08603	100.0
96.08968	2.9
97.06531	1.8
97.10178	6.7
103.05443	1.7
105.07026	43.7
106.07355	1.6
107.04961	5.9
107.08586	67.8
108.08936	2.0
109.06520	2.0
109.10152	95.6
109.85307	1.2
110.10504	3.1
117.03388	9.5
117.07017	6.2
119.04957	7.2
119.08574	71.1
120.08932	2.6
121.10143	55.0
122.10477	1.9
123.08037	2.4
123.11703	14.7
125.09692	2.0
129.07005	4.2
130.07814	1.9
131.08546	16.7
133.10126	58.4
134.10425	3.6
135.04402	20.2
135.08011	1.6
135.11685	33.0
135.12617	2.3
137.09674	1.9
137.13264	9.7
143.08531	11.4
144.09200	1.3
145.02840	14.6
145.10117	28.5
146.10516	2.8
147.04402	17.5
147.08015	1.5
147.11685	36.2
149.13257	20.1
151.07500	1.4
153.05432	1.4
153.09099	3.9
155.08461	1.8
157.10126	5.5
159.11705	23.7
161.13251	24.4
161.14517	2.2
163.03900	94.8
163.14867	8.1
163.15996	1.4
164.04185	2.4
167.07051	9.1
167.08321	1.9
169.10176	2.0
171.11728	7.3
173.09673	3.1
173.13274	20.3
175.14809	26.4
177.09146	3.3
177.16376	35.4
178.16779	2.1
181.04918	3.1
181.08601	3.0
184.12422	1.4
185.13268	3.8
187.14793	18.3
189.16365	44.8
189.17970	2.9
190.16714	2.9
191.17923	13.2
193.08595	3.4
197.13213	2.4
199.14806	11.9
201.09047	3.1
201.16370	49.8
202.16722	3.9
203.17943	64.6
204.18303	4.9
207.17532	2.2
211.11267	1.6
211.14929	2.4
213.16368	36.0
214.16768	4.7
215.17934	22.0
216.18198	2.1
217.15930	2.2
217.19585	6.3
221.15364	2.6
225.16360	2.1
227.18013	4.4
229.19589	4.0
231.17479	2.0
233.11694	2.5
233.15318	2.8
234.12009	1.8
235.16901	3.4
239.17928	2.5
241.19472	8.6
243.21091	5.2
247.16893	9.6
249.18474	1.6
253.19554	1.8
255.21060	3.0
259.09671	1.7
259.16943	15.3
261.18402	6.5
265.12140	2.3
267.21033	2.7
269.22717	1.6
271.13196	2.6
281.22629	2.7
283.24295	4.2
285.18536	2.4
287.20032	3.2
297.14850	5.8
297.25824	6.6
327.23318	2.8
329.17511	26.0
329.24918	3.9
343.26331	11.3
355.15393	2.3
355.26282	1.8
356.15640	4.5
357.16760	10.6
391.33603	16.0
393.35086	1.9
409.34579	7.0
437.34216	39.3
438.34424	2.3
617.37018	9.8
618.35419	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	9.2
57.07078	2.8
65.03938	3.9
67.05515	14.8
68.05853	1.8
69.07076	13.4
79.05483	9.2
81.07054	23.8
83.04974	2.8
83.08627	6.5
88.39813	1.5
89.03918	7.7
91.05475	25.4
93.07035	18.7
95.04950	3.5
95.08601	41.6
97.06533	2.8
97.10175	4.3
105.07025	27.8
107.04981	3.6
107.08585	31.8
107.09236	2.6
108.32431	1.7
109.10156	21.2
111.08109	2.0
117.03369	8.5
117.07022	4.7
119.04928	26.4
119.08575	36.4
119.09390	2.0
121.06528	2.2
121.10140	25.8
123.08034	3.5
123.11763	6.0
126.10921	1.5
129.07091	2.7
131.08598	8.3
133.10120	25.3
135.04396	21.0
135.08003	2.5
135.11694	20.1
137.13293	6.0
143.08620	5.1
145.02827	14.1
145.10101	14.8
147.04401	84.9
147.08090	1.9
147.11671	20.7
148.04738	3.1
149.09554	3.0
149.13272	12.1
153.09152	3.0
153.96881	1.5
157.10161	6.9
159.11659	11.8
160.11938	1.7
161.09650	3.8
161.13223	13.4
163.03896	100.0
163.14909	6.1
164.04263	3.8
169.10114	2.6
171.11726	5.0
173.11914	2.8
173.13318	8.9
175.11136	1.7
175.14801	14.9
177.16418	10.5
185.13234	3.3
187.14783	13.1
189.16374	39.4
189.17958	2.4
190.16795	2.6
191.17932	9.6
197.13354	2.6
199.14890	6.6
201.12877	1.9
201.16371	21.9
202.16695	2.1
203.17940	31.0
205.15891	3.2
211.15089	1.7
213.16463	6.4
215.18005	6.0
217.15930	8.6
219.17455	2.6
227.18010	3.8
228.96265	2.8
229.16003	2.3
229.19643	5.0
235.17021	4.4
239.18002	3.7
241.19550	4.6
243.21175	3.2
247.17007	7.1
253.19604	4.0
255.21199	2.8
261.18610	2.3
271.20660	2.6
275.20193	1.8
279.23224	2.1
281.22385	1.8
287.20090	3.5
289.21515	1.9
299.20230	1.9
301.21725	3.8
311.23849	2.4
341.24731	1.8
389.31882	2.3
391.33493	7.6
407.33328	7.7
419.02844	1.5
435.32834	7.5
437.21042	2.0
437.34219	22.7
438.34241	2.0
453.33615	33.9
454.34158	3.7
471.71545	1.8
571.38220	2.3
617.38361	55.6
618.38403	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	617.383
Annotation	(-)-Norpleiomutine
Peak:m/z	Relative Intensity
53.03930	0.6
55.05509	2.1
55.43245	0.3
57.07056	1.0
62.30169	0.3
65.03924	2.1
66.40741	0.6
67.05510	2.3
69.03399	0.5
69.05716	0.4
69.06033	3.7
69.07061	3.5
72.42825	0.3
79.05484	2.6
81.06612	0.6
81.07056	6.2
82.07403	0.3
83.04974	2.7
83.08586	2.0
87.04456	1.3
91.05477	16.9
91.06049	0.9
92.05801	0.4
93.07036	4.6
95.04932	1.1
95.08602	9.9
97.06519	1.2
97.10154	0.8
105.07021	9.7
107.04892	0.4
107.07906	0.7
107.08580	8.7
108.08965	0.4
109.06506	1.1
109.10165	4.6
111.08038	0.7
117.07015	0.9
119.04935	30.0
119.08575	12.6
120.05257	0.8
121.06495	0.8
121.10139	6.6
123.08051	0.9
123.11678	2.0
125.05967	0.4
125.09583	0.7
129.07036	0.7
131.08557	2.9
133.10123	6.7
135.08069	0.6
135.11679	4.8
137.09645	0.4
137.13249	0.9
141.07010	0.9
142.07826	0.5
143.08554	2.0
145.10124	3.5
147.04399	99.1
147.11690	4.3
148.04735	3.3
148.12056	0.4
149.09592	0.9
149.13264	1.8
152.46693	0.4
153.09096	0.9
155.08548	1.3
157.10109	2.7
159.07968	0.8
159.11662	2.4
161.09624	1.6
161.13234	2.6
163.03889	0.6
163.11186	0.8
163.14824	1.1
165.05467	1.0
169.10104	1.0
171.11681	2.2
173.09610	0.5
173.13243	2.9
175.11220	1.1
175.14815	8.1
177.16364	2.2
182.10976	0.4
183.11719	1.6
185.13258	1.3
187.11151	0.6
187.14812	3.9
189.12747	1.0
189.16374	18.1
190.16745	1.0
191.17929	2.0
193.08669	0.4
195.11716	0.5
197.13275	2.2
199.14810	3.3
201.12737	0.6
201.16391	2.1
203.17892	0.7
207.17447	0.9
209.13217	0.5
209.50813	0.5
211.14780	1.2
213.16383	1.6
215.14330	2.7
215.17911	0.9
217.15869	9.2
219.17467	0.6
225.16441	0.6
227.18016	2.0
229.15912	1.0
229.19511	1.1
231.17476	0.6
233.18941	0.4
235.16942	5.1
236.17186	0.4
241.19489	0.5
243.21112	0.6
245.19084	1.1
247.31366	0.4
251.17958	0.4
253.19531	1.4
255.20934	0.4
257.18924	0.5
261.14819	0.7
271.20544	4.5
272.20993	0.4
285.22198	0.6
299.20004	0.4
317.21182	1.9
322.97266	0.4
338.32239	0.5
381.20621	0.6
389.31952	0.7
391.33118	0.4
407.33090	4.4
408.33224	0.6
435.32367	2.7
436.32938	0.4
453.33548	3.7
560.98798	0.6
571.37982	2.8
572.37488	0.4
617.38300	100.0
618.38617	15.4
618.48730	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.383
Annotation	(+)-Kopsoffine
Peak:m/z	Relative Intensity
55.05511	2.8
57.07060	1.2
58.89511	0.3
65.03925	2.2
66.40747	0.4
67.05494	2.8
69.07069	4.0
71.08615	0.5
79.05476	2.1
81.06615	0.5
81.07050	6.8
83.04966	2.0
83.08601	2.1
87.04465	3.0
87.50293	0.4
89.03893	0.5
89.05978	0.4
91.05473	17.7
91.06046	0.9
92.05837	0.4
93.07040	4.9
95.04960	0.7
95.08598	8.2
97.06496	1.0
97.10146	1.0
105.07028	8.6
107.04961	0.4
107.07896	0.7
107.08582	7.9
109.06520	0.8
109.10136	4.6
111.08057	0.6
115.05396	0.5
117.06972	0.9
119.04935	28.5
119.08570	12.7
120.05228	0.8
121.06508	0.7
121.10136	6.6
123.08032	0.8
123.11695	2.5
125.09642	0.6
129.07004	0.3
131.08586	2.8
133.10127	7.3
135.07986	0.5
135.11676	4.9
137.09564	0.6
137.13263	1.0
139.07503	0.6
139.11134	0.6
141.06966	0.7
143.08536	1.6
145.02858	0.6
145.10112	4.8
146.10907	0.4
147.04395	100.0
147.11688	4.4
148.04753	3.2
149.09601	0.6
149.13272	2.4
153.09106	0.8
155.08531	1.1
157.10144	2.4
157.57593	0.4
159.08093	0.6
159.11694	3.4
161.09673	1.8
161.13229	4.0
163.03894	2.6
163.14803	2.0
165.05492	1.6
169.10110	0.9
171.11652	2.2
173.13216	3.2
175.11128	0.9
175.14813	8.0
177.16405	2.5
183.11690	1.3
185.13278	1.7
187.11169	0.8
187.14793	4.3
189.16374	15.6
190.16701	0.6
191.17918	1.4
195.11551	0.5
197.13261	2.7
199.14793	2.9
201.12741	0.4
201.16385	3.9
203.17938	2.3
207.17384	1.1
211.14809	1.5
213.16411	1.3
215.14314	1.8
215.17990	1.3
217.15874	5.4
219.17334	0.6
225.16350	0.4
227.17961	1.8
229.19565	1.1
229.33656	0.5
231.17348	0.6
233.18971	0.5
233.58139	0.4
235.16913	4.3
241.19505	0.8
243.21063	1.5
245.19072	0.6
247.17015	0.9
253.19485	1.8
255.21141	0.7
263.16309	0.5
267.20905	0.5
271.20578	3.9
285.22031	0.5
317.21210	1.2
381.20654	0.7
389.32071	1.1
407.33115	3.9
408.33392	0.7
415.11096	0.4
435.32690	3.6
437.34152	1.9
453.33609	3.8
510.10849	0.4
555.08167	0.4
560.99023	0.5
571.37872	1.9
578.76624	0.4
617.38306	50.8
618.38647	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	617.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90124	0.9
51.02371	1.1
53.03939	1.4
53.19071	0.9
55.01869	1.3
55.05506	18.1
57.07063	3.2
60.74558	0.9
63.02377	0.8
65.03943	4.3
67.05499	29.1
69.03418	0.9
69.07062	22.6
71.04980	1.5
73.06552	0.9
77.03947	0.8
77.86324	0.7
79.05483	19.3
81.07047	39.9
82.07386	0.8
83.04958	3.9
83.08612	13.3
85.06542	1.5
89.03905	9.5
91.05472	30.1
91.21816	0.7
93.07040	30.6
94.07340	1.0
95.04948	4.7
95.08601	53.5
96.08933	1.6
97.06521	3.9
97.10167	9.2
99.08092	1.0
103.05484	1.0
105.07021	30.3
106.07355	1.5
107.04936	2.9
107.08585	38.5
108.08858	0.9
109.06515	2.2
109.10149	44.2
110.10498	1.7
111.08075	3.2
111.11732	1.0
115.07561	1.9
117.03360	8.9
117.07019	5.0
119.04935	29.3
119.08571	48.7
120.05281	1.1
120.08929	1.8
121.06513	1.2
121.10134	30.3
122.10464	0.8
123.08068	1.5
123.11694	10.9
125.05965	3.8
125.09613	7.1
129.06967	1.5
131.08565	12.8
131.26955	0.7
133.10118	38.0
134.10460	1.7
135.04402	19.0
135.08095	1.8
135.11685	17.7
137.09596	2.1
137.13266	2.9
139.07526	1.6
139.11235	1.1
143.07043	2.9
143.08568	6.1
145.02846	13.3
145.10114	25.1
146.10721	1.1
147.04393	100.0
147.11673	25.1
148.04776	3.1
148.11986	1.1
149.09630	2.3
149.13257	10.7
151.11177	0.9
153.09096	4.7
155.08528	1.4
157.10114	5.9
159.11679	18.9
160.12256	1.2
161.08028	1.1
161.09616	0.9
161.13234	17.3
163.03886	90.3
163.11221	1.7
163.14816	7.8
164.04320	2.5
165.05495	4.3
165.12791	1.2
167.07013	2.2
169.10120	1.6
171.11621	4.0
172.12315	0.9
173.13234	13.2
175.09750	1.0
175.11240	1.0
175.14825	16.9
177.09155	1.4
177.16380	13.0
178.16795	1.4
179.10637	1.5
181.04962	1.2
181.46648	0.7
183.11642	2.0
185.13266	3.5
187.14790	16.0
188.35854	0.7
189.11212	2.8
189.16367	28.1
190.16747	1.7
191.14360	1.0
191.17906	5.0
193.15962	0.9
197.13264	1.5
199.14793	4.2
201.16371	40.3
202.16795	1.6
203.17940	34.8
204.18289	3.0
205.15901	3.3
205.19583	1.1
207.17520	1.3
211.14943	1.3
213.16368	7.4
215.17924	20.5
216.18323	2.0
217.15927	2.9
217.19496	2.6
219.17435	3.2
221.15421	1.3
223.16844	1.0
225.16396	2.0
227.17923	3.2
229.15808	1.0
229.19511	4.7
229.36479	0.8
231.17342	2.2
233.15355	1.5
233.19200	1.1
235.16898	4.4
239.17993	1.9
241.19514	3.6
243.21126	5.6
245.15103	0.8
247.16922	8.9
249.18555	1.7
253.19528	1.6
255.21106	2.3
259.16931	2.0
261.18539	8.2
261.21985	4.3
267.21027	2.3
269.22690	1.2
273.18311	1.1
275.19968	1.0
279.23199	17.9
280.23575	1.2
281.22577	1.4
283.24075	6.7
287.20099	2.3
295.24124	1.1
297.24124	13.7
299.20044	1.2
301.21591	1.6
313.21515	0.9
327.23236	1.3
327.72958	0.8
329.20926	1.0
329.24728	5.7
341.24658	1.1
343.26068	2.5
349.28973	1.6
353.24728	0.9
385.27313	1.1
389.31696	2.3
391.33551	8.5
395.29355	1.5
403.28305	2.3
407.32996	4.8
408.33298	1.0
409.34811	1.2
413.30713	1.1
417.29919	1.6
421.33359	1.3
425.33878	1.2
431.31564	6.5
435.32260	3.1
437.34125	18.1
438.34348	1.9
449.32578	3.1
453.33502	3.4
499.37579	0.8
545.38428	4.8
563.39386	1.6
581.39288	1.5
617.38416	13.1
618.38391	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
53.58123	0.3
55.05505	3.3
56.06554	0.3
57.07064	1.3
65.03925	1.5
67.05502	3.5
69.07066	4.3
71.04991	0.5
71.08611	0.5
71.33942	0.4
74.70811	0.4
79.05479	3.9
81.07053	11.2
83.04968	0.9
83.08617	4.6
91.05475	16.6
91.06049	0.8
92.05795	0.7
93.07042	7.6
95.05005	0.8
95.08601	11.8
97.10167	0.7
98.23327	0.8
98.53888	0.4
99.08108	0.5
101.06921	0.4
105.07025	9.8
107.08586	12.2
109.06511	2.0
109.10152	6.0
111.08086	0.8
116.38055	0.4
117.06998	1.7
119.04938	25.5
119.08569	13.4
120.05272	0.6
120.08931	0.6
121.10145	9.3
122.10484	0.6
123.04419	0.5
123.08083	0.4
123.11715	4.7
125.09615	0.6
127.07527	1.5
129.06993	1.1
131.08566	4.6
133.09161	0.7
133.10124	9.2
135.08051	0.4
135.11693	8.2
137.13245	1.6
142.07787	0.7
143.08565	3.2
144.09271	0.8
145.10110	7.8
147.04401	100.0
147.11690	6.4
148.04724	3.4
149.13235	3.9
151.14742	0.6
151.43549	0.4
155.08572	0.8
157.10123	2.7
158.10875	0.6
159.11696	6.2
161.13251	5.2
163.03899	0.8
163.07565	0.5
163.11188	1.0
163.14812	3.2
165.05472	21.4
166.05838	0.7
169.10132	1.7
171.11746	3.1
173.13257	4.6
175.14821	6.4
177.05554	0.5
177.09148	1.2
177.16354	5.3
182.10854	0.7
183.11668	2.4
185.13242	5.3
187.14796	6.9
189.09108	0.5
189.16364	7.5
189.17958	0.7
191.14232	0.4
191.17889	2.2
197.13214	2.1
199.14830	4.3
199.17848	0.5
201.16391	10.3
202.16733	0.6
203.17941	7.1
205.15887	2.9
207.17462	1.7
209.13226	1.1
211.14764	2.2
213.16374	7.1
214.16869	0.6
215.14435	0.6
215.17937	2.7
217.15862	0.8
217.19456	0.7
221.15610	0.4
223.14874	0.6
225.16350	1.0
227.17976	1.2
229.15894	1.1
229.19502	0.7
231.17487	1.0
237.16376	0.6
239.17880	1.2
241.19501	1.2
245.15379	1.0
247.16907	1.2
251.17857	0.6
253.19463	1.3
255.21141	0.6
257.15399	0.5
259.16934	3.7
260.17444	0.6
267.21008	1.1
279.66809	0.4
285.18497	0.6
287.20145	0.7
293.22534	0.4
299.20087	1.1
313.21558	0.6
327.23157	0.5
339.23190	0.6
347.27420	0.5
363.30545	0.4
379.26355	0.5
389.32001	4.3
390.32385	0.5
407.33133	5.4
408.33481	0.5
409.30872	4.6
417.31201	0.6
425.34311	0.7
435.32559	14.3
436.32880	1.7
453.33853	0.9
504.74277	0.4
512.37268	0.5
617.37225	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.384
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90791	0.7
52.76673	1.0
53.03933	1.4
55.01873	1.7
55.05511	9.5
57.07062	3.8
58.61094	0.8
59.04993	1.3
62.74665	0.8
65.03934	2.5
67.05506	16.9
69.03440	1.3
69.07069	13.7
71.04980	3.1
71.08606	0.8
79.05489	11.1
80.88026	0.9
81.07052	23.0
81.26939	0.9
83.04968	3.0
83.08615	12.0
85.06539	2.0
91.05468	20.5
93.07040	18.0
94.07378	1.5
95.04979	2.4
95.08605	25.9
96.08956	1.7
97.06522	1.9
97.10166	5.5
99.08081	1.2
103.05457	1.1
105.07023	18.6
105.07735	1.2
107.04893	1.0
107.08588	24.7
109.06553	1.7
109.10155	12.6
111.08066	3.1
113.39224	0.9
117.07005	4.3
119.04948	28.6
119.08579	26.4
119.09432	1.8
120.08929	1.4
121.06530	1.7
121.10146	23.4
122.10457	1.2
123.08057	3.6
123.11687	6.3
125.09609	3.1
127.07587	1.1
129.07002	4.1
130.07784	1.4
131.08557	10.0
133.10138	16.4
135.08032	2.4
135.11708	10.1
136.25093	0.9
137.09613	3.0
137.13251	1.9
139.07582	1.7
139.11116	1.1
141.06871	1.0
143.08568	5.0
145.10139	20.0
147.04402	100.0
147.08058	2.3
147.11681	10.1
148.04747	3.8
149.09637	2.0
149.13242	10.7
151.07559	2.5
151.11183	1.4
151.14841	1.1
153.01822	2.2
153.09128	2.2
155.08537	2.4
156.09346	2.0
157.10080	7.9
158.10898	1.1
159.08047	1.1
159.11688	13.2
161.09615	1.2
161.13252	7.3
162.13727	1.0
163.03828	2.1
163.11209	1.4
163.14822	7.2
165.05469	29.2
165.09116	1.6
169.10109	4.0
171.11661	7.2
173.09625	1.0
173.13281	7.9
175.14818	12.8
177.05519	1.7
177.16399	7.0
181.10092	2.1
183.11725	2.3
185.13271	3.4
187.14815	13.0
189.11166	1.8
189.16367	21.1
190.16708	1.2
191.17934	2.6
193.08563	1.6
194.10854	1.0
195.11705	1.3
197.13263	2.8
198.13635	1.1
199.14825	7.3
201.16380	23.0
203.10670	1.3
203.17976	3.6
205.15880	3.5
207.13693	1.1
209.13235	1.8
209.15277	1.0
211.09680	1.3
211.14848	3.2
212.15584	1.1
213.16406	5.7
215.14456	1.0
215.17969	4.7
217.15797	1.4
219.11621	1.1
219.17435	6.2
221.15370	1.7
223.14903	1.8
225.16371	1.4
227.17906	2.0
229.19614	1.8
233.92841	1.0
237.16519	1.4
239.17885	2.8
241.19455	4.9
243.21086	1.0
245.15314	1.5
247.16974	3.8
249.18538	1.7
251.17972	1.1
253.19530	3.4
255.17462	1.2
259.17014	2.1
259.20438	1.2
261.22229	1.5
265.19330	1.2
267.21063	1.2
271.17154	1.2
279.23267	3.2
281.22321	1.4
285.18329	1.3
293.22760	1.1
297.24222	2.8
298.55353	1.0
299.19968	2.2
305.22687	1.2
347.27197	2.1
353.24658	1.5
363.30508	1.1
379.26263	1.4
381.27612	1.1
389.31943	12.3
390.32266	2.0
407.33127	16.1
408.33350	2.1
409.30508	4.7
410.31857	1.0
425.33859	1.5
431.31497	2.2
435.32553	35.3
436.32892	3.9
449.32813	1.3
453.33527	3.2
488.68893	1.1
617.36841	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	617.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.1
54.13262	1.5
55.05517	9.5
57.03413	1.7
57.07066	2.6
61.63464	1.7
67.05509	19.2
69.07062	15.1
69.22810	13.7
79.05488	12.1
81.07050	18.0
83.04968	3.0
83.08646	9.5
85.06521	3.2
91.05471	20.1
93.07047	21.7
95.04972	2.5
95.08609	34.1
97.06467	1.9
97.10163	3.1
105.07020	26.0
105.99241	1.8
106.07374	2.8
107.04946	2.7
107.08582	21.9
109.06586	2.0
109.10149	15.1
111.08023	2.2
111.11709	1.8
117.03394	4.4
117.07007	5.2
119.04948	28.0
119.08591	31.9
121.10156	21.2
123.08023	2.4
123.11693	7.7
125.09610	4.6
129.07004	3.8
129.69981	1.6
131.08546	9.1
133.06490	4.1
133.10133	23.9
135.04422	6.0
135.08038	4.5
135.11719	11.1
143.08559	7.1
145.02846	2.6
145.10120	22.1
147.04404	100.0
147.11665	15.6
148.04759	3.0
149.13287	9.4
155.08557	2.7
156.09227	1.9
157.10133	7.9
159.11687	19.1
161.09590	2.6
161.13243	8.2
163.03911	25.3
163.11205	2.7
163.14819	7.1
165.05472	24.4
167.06996	13.8
168.07387	5.8
169.10129	3.6
171.11700	8.7
173.13240	5.9
175.11165	2.1
175.14813	15.2
177.16344	7.2
182.97896	2.1
183.11740	3.3
185.13278	6.0
187.14801	21.6
189.16367	27.4
191.17949	4.4
192.07907	2.4
193.08582	16.7
194.08907	5.6
199.14821	5.5
201.16396	30.2
203.17972	6.6
205.15880	6.1
207.17589	2.2
211.14796	2.6
213.16380	4.4
215.17926	4.6
219.17418	8.1
221.15463	2.4
221.37126	1.9
223.00459	2.0
223.14771	2.6
225.16399	3.6
227.17982	2.4
235.16795	2.8
241.19490	2.3
247.16924	5.1
251.18059	2.7
253.19528	2.4
312.02368	2.1
389.31952	15.2
390.32321	2.5
407.33035	18.7
409.30734	4.2
435.32645	33.4
436.32886	6.2
437.30264	2.8
450.50204	2.1
617.34888	18.6
618.35498	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	617.4255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00633	1.1
50.28786	1.1
53.03944	3.9
55.01864	5.5
55.05511	58.2
55.05781	2.8
57.03435	3.0
57.07076	3.6
59.05000	2.6
65.03939	2.4
67.05504	76.0
68.05859	1.5
69.03425	4.9
69.07066	54.9
70.92832	1.1
71.04998	6.7
71.08624	1.7
73.06555	3.6
79.05494	53.3
81.03443	1.3
81.07055	79.4
83.04987	6.9
83.08124	2.9
83.08615	38.8
84.09001	1.3
85.06537	6.5
91.05482	30.8
93.06474	1.1
93.07040	46.1
95.04979	4.3
95.08606	64.8
97.05927	1.8
97.06525	14.5
97.10166	59.1
98.10490	2.0
99.08102	3.5
105.07032	21.8
107.04963	1.5
107.08593	41.9
108.08960	1.2
109.06491	6.1
109.10155	37.8
110.64371	1.0
111.08092	7.7
111.11708	1.8
115.07564	17.0
117.07036	10.2
119.04926	4.0
119.08569	20.7
121.06494	2.8
121.10150	33.8
123.08073	4.9
123.11707	16.9
124.08401	1.7
125.05995	4.2
125.09621	37.5
127.07501	1.1
129.07019	3.2
129.67506	1.3
131.08569	18.7
133.06483	1.4
133.10120	23.8
135.08092	7.6
135.11687	23.0
136.12090	1.2
137.09637	8.5
137.13261	4.7
139.11186	3.0
143.07047	1.8
143.08565	4.7
143.10693	2.5
145.10146	16.6
147.04396	12.9
147.11691	15.5
148.04739	1.4
149.09605	8.9
149.13271	8.8
151.11198	6.7
151.14761	1.2
153.09109	15.7
153.12680	1.6
155.08630	1.3
157.10162	3.7
159.11690	11.6
161.09613	1.5
161.13251	12.8
163.11191	3.3
163.14832	4.7
165.05508	1.5
165.09067	1.2
165.12756	2.3
167.10670	2.7
169.12234	1.5
171.10255	1.9
171.11699	3.6
173.11723	3.2
173.13277	8.8
175.09669	1.5
175.14844	5.7
177.12746	2.1
177.16382	1.9
179.14224	1.3
187.14842	5.5
189.11227	33.4
189.16446	2.6
190.11650	1.3
191.14235	1.4
195.13765	1.9
199.14882	1.3
200.90096	1.2
201.16333	4.2
203.17947	2.0
209.15430	2.1
211.14793	1.3
213.16447	4.3
214.28242	1.2
215.18095	1.6
227.18105	1.3
231.17426	6.0
243.21040	12.0
249.18491	20.4
261.22144	27.3
267.19656	2.1
275.20074	1.9
279.23190	100.0
280.23468	5.3
295.22745	1.8
297.24216	83.6
298.24609	5.5
311.22034	1.8
323.22205	1.4
333.24219	2.8
395.29425	3.8
403.32513	1.5
407.32761	1.6
411.31174	2.7
413.30649	10.1
417.30011	2.4
431.31528	52.8
432.31912	6.3
435.32413	2.3
449.32672	29.4
450.32935	1.7
467.33560	4.3
527.41144	9.7
545.41071	7.3
563.40234	4.9
581.40363	12.5
617.36469	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	617.4626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.1
55.01859	6.9
55.05512	68.1
57.03434	4.5
57.07063	5.6
58.48682	1.7
59.05003	3.5
60.40189	1.4
64.60491	1.6
65.03933	4.7
67.05505	79.7
68.05843	1.9
69.03413	5.3
69.07069	59.0
70.63961	3.5
70.64316	1.7
71.04983	11.7
73.06574	1.6
77.86864	1.6
78.53651	1.6
79.05042	3.1
79.05490	51.1
81.03416	2.2
81.07058	100.0
82.07362	2.0
83.04980	10.8
83.08619	63.4
84.08979	1.7
85.06538	11.4
87.04465	2.1
89.52863	1.5
91.05481	37.9
93.07043	56.5
94.07363	1.9
95.04971	8.0
95.08605	87.1
96.08897	2.2
97.06518	10.9
97.10166	33.9
99.08098	4.4
101.06030	2.5
103.02233	1.4
105.04466	2.3
105.07032	31.0
107.04983	9.3
107.08598	51.1
108.08890	1.6
109.06523	8.0
109.10154	47.3
111.08084	20.4
111.11726	4.2
113.06013	2.4
113.09625	2.7
115.05479	1.8
115.07552	1.7
117.07028	9.0
117.95078	1.6
119.04162	2.3
119.04948	18.0
119.08576	42.6
121.06493	4.4
121.10144	48.3
122.10419	2.0
123.04421	7.1
123.08048	6.6
123.11716	19.5
125.05997	4.4
125.09628	26.9
126.44501	1.8
128.26575	1.8
129.06946	2.5
129.09116	12.8
130.07819	2.1
131.08565	21.3
132.08900	2.0
133.10126	33.7
134.10455	2.4
135.08078	6.1
135.11693	30.4
137.09581	7.4
137.13275	7.9
137.34927	1.5
139.07509	3.8
139.11188	15.1
141.09109	2.9
143.08565	7.8
143.10689	5.5
144.09340	1.8
145.02791	2.4
145.10130	32.3
146.10477	2.3
147.04408	77.3
147.07965	1.7
147.11685	21.6
148.12086	1.6
149.09619	5.8
149.13249	14.3
151.11159	5.4
151.14806	2.8
153.09106	5.8
155.08537	2.6
155.10597	1.8
157.08650	3.6
157.10101	8.3
157.12238	2.4
158.10687	1.7
159.11687	23.3
161.09717	2.4
161.13257	17.9
163.11162	3.8
163.14828	9.9
165.05475	13.1
165.09135	2.2
165.12778	2.9
169.10127	3.1
171.11708	7.2
172.12457	1.9
173.11810	3.1
173.13190	12.6
175.09634	7.5
175.11041	3.3
175.14822	14.1
177.05493	4.5
177.12749	4.3
177.16380	12.5
179.14325	1.8
181.15823	1.8
183.11702	2.8
185.13205	3.4
187.13382	2.0
187.14819	15.2
189.11185	11.4
189.12694	2.0
189.16368	15.4
191.10646	2.2
191.14352	2.8
191.17894	2.9
193.08656	2.7
195.13835	2.6
197.13274	2.4
199.14804	4.5
201.16388	21.3
202.16733	2.4
203.17952	4.2
205.15848	12.2
207.13866	1.7
209.15421	2.0
211.09654	7.1
211.14740	3.0
213.16377	4.7
215.17931	6.3
219.06540	2.0
219.13953	1.7
219.17433	4.9
221.15372	1.9
223.14757	2.1
223.16833	2.9
227.17940	3.5
229.16055	1.6
231.17506	2.6
235.16873	3.3
241.19501	5.7
243.21121	14.7
247.16963	6.9
249.18483	5.7
259.17068	1.8
261.18478	1.5
261.18927	1.8
261.22147	31.3
262.22614	1.7
267.19547	14.5
279.20096	3.8
279.23172	79.3
280.23471	6.3
283.16843	1.6
285.20618	7.2
297.24210	40.7
298.24377	4.3
301.21475	1.8
308.77341	1.6
348.18048	1.6
376.92133	1.5
381.27710	2.0
385.30905	4.6
389.31207	7.2
389.37173	1.7
395.29379	2.2
399.28217	2.3
399.32910	3.5
403.31885	5.4
405.31384	2.1
407.32639	12.0
413.30460	2.4
417.29056	2.7
417.34473	8.5
421.33118	7.0
425.32681	2.5
431.31427	6.5
433.30637	3.2
435.32629	17.4
436.32770	3.4
449.32474	5.2
451.32169	3.5
453.35068	3.4
487.96909	1.7
527.40479	5.0
545.41718	11.2
563.43250	9.4
581.43945	10.7
599.35266	2.4
617.38519	7.8
646.78766	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.9
53.03936	1.0
55.01862	1.4
58.61769	0.7
59.84132	0.7
65.03938	1.3
66.19092	0.6
67.05497	1.3
69.03417	2.6
69.07082	1.0
71.32732	1.2
79.01855	5.5
79.05492	1.2
79.77480	0.8
81.03407	3.5
81.07045	3.1
83.04980	0.9
85.02898	2.3
91.05460	2.8
93.03426	0.9
93.07025	1.8
95.04946	1.4
95.08577	1.6
97.02879	2.9
103.05475	1.1
105.07030	1.7
107.01351	1.0
107.04962	1.2
107.08630	1.8
109.02856	1.4
109.06538	1.2
109.10184	1.3
111.04436	0.7
119.08570	1.4
121.10127	2.0
123.04417	1.0
125.02332	2.9
127.03939	1.9
131.04936	1.2
131.08582	0.7
133.10136	0.9
137.05988	5.7
137.09615	1.1
138.64220	0.9
138.82281	0.7
143.03403	5.2
145.04945	0.7
147.04402	2.2
149.02310	5.7
153.01823	100.0
153.02904	6.0
153.93140	0.8
159.11758	1.3
163.03914	1.0
163.11159	0.9
165.05484	5.6
165.09163	1.0
169.08641	0.9
175.03857	12.1
175.05162	1.0
177.05490	1.1
178.05051	1.2
182.07211	0.8
188.08459	0.8
191.10567	1.0
206.04503	2.0
210.06822	0.7
211.07523	1.6
225.09123	1.5
227.12784	1.0
231.23424	0.7
250.14342	0.7
253.08499	0.9
285.06036	3.4
299.09131	52.0
300.09534	2.2
305.02979	3.0
317.10214	1.8
443.13348	2.8
461.14316	3.2
541.07904	0.7
617.34827	3.3
618.22119	0.9
618.35657	6.3
619.23694	4.9
619.32922	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.8
55.01859	1.0
61.02924	4.2
67.05507	1.3
69.03420	1.6
69.27036	6.2
75.78175	0.8
78.04690	1.5
79.05484	4.7
80.15122	0.8
81.03409	2.2
84.45284	0.9
85.02914	4.2
85.03353	0.8
91.05478	5.3
93.03392	0.8
93.07043	1.0
95.04959	2.9
97.02881	2.0
98.22642	1.9
101.05891	0.8
103.05490	5.2
105.07028	14.9
105.25063	0.7
106.04177	2.2
107.04955	16.0
109.02869	2.0
109.06503	1.1
115.05415	1.0
117.06983	1.3
118.04151	2.3
120.05708	1.6
121.02836	1.4
121.06506	3.8
123.04429	8.4
124.05176	1.0
127.03950	0.9
131.04921	1.4
133.06488	13.7
135.08051	6.4
137.05974	8.1
139.03912	1.5
139.07555	1.8
145.04878	1.4
147.04378	1.4
147.08052	1.1
149.06013	5.9
150.06717	4.3
151.03906	1.9
151.07552	1.4
152.04662	1.1
153.01843	6.4
161.06006	5.4
163.03905	1.8
163.07532	13.9
165.09117	10.3
166.06224	0.8
167.07033	100.0
168.07359	3.6
177.05489	3.4
178.06294	1.3
179.07043	2.9
181.08606	7.0
191.39606	0.8
193.08601	85.6
194.08989	4.9
195.10185	12.6
207.06549	1.0
209.08122	8.3
211.09648	9.6
213.11232	2.8
223.09605	0.8
225.11371	1.3
225.98384	0.8
227.09134	13.2
237.11223	0.9
253.10849	1.0
303.04874	1.4
304.05396	1.0
391.17480	1.8
593.40833	0.8
619.28119	1.4
634.49225	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.5
55.01867	2.0
63.09798	0.8
65.03938	0.8
67.05494	0.8
69.03436	1.8
69.09898	5.9
75.04471	1.8
78.04702	1.6
79.01844	1.8
79.05483	5.4
81.03417	2.4
85.02903	2.8
91.05479	6.6
93.03414	3.4
93.07031	1.9
94.04193	0.8
95.04964	3.2
97.02879	2.2
98.23313	1.5
103.05471	6.2
105.07030	18.8
106.04175	7.0
107.04958	5.6
109.02871	1.1
109.06495	1.4
113.03495	0.9
115.05434	2.0
117.03372	0.6
117.06955	0.8
118.04169	5.5
119.04938	2.4
121.06494	10.1
123.04392	4.1
123.08110	1.5
124.05207	2.2
125.02321	1.3
125.05981	2.6
127.03919	1.6
131.04950	2.6
133.06490	18.8
134.03593	1.3
134.07213	1.0
135.04422	2.3
135.08070	3.6
135.16534	0.6
137.05972	8.8
137.09616	0.7
139.07518	0.8
143.03410	1.8
145.02852	1.2
145.35173	0.6
147.04424	0.8
148.05194	1.2
149.05968	16.4
150.06763	10.6
151.03917	3.0
151.07535	4.6
152.04594	0.9
153.01822	29.3
153.02879	1.2
153.05466	1.2
153.09096	3.5
154.02153	3.0
155.06952	0.7
161.05992	6.1
161.99429	0.6
162.07512	0.6
163.03902	1.9
163.07527	3.8
165.09099	11.2
166.06274	0.8
167.07031	100.0
168.07387	4.0
177.05472	8.9
178.04916	1.2
178.06328	1.4
179.07042	3.1
181.08583	7.5
191.07021	1.8
193.08597	62.6
194.08968	2.2
195.06509	1.4
195.10181	3.0
201.34087	0.6
206.04489	1.2
209.08081	49.3
210.08458	2.8
211.09642	96.3
212.09982	3.7
213.11208	1.0
227.05458	4.1
239.06577	0.9
303.05005	5.3
304.05258	5.1
344.17966	0.7
391.17535	1.0
395.64780	0.8
403.17355	1.2
618.12292	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	618.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27310	1.1
53.03943	1.8
53.34963	1.1
55.01886	1.8
57.21958	1.2
65.03934	2.7
66.85204	1.3
67.05463	1.4
69.03397	1.4
79.05487	5.7
81.03432	1.7
85.02901	2.9
91.05473	7.8
93.03407	2.9
93.07002	1.5
95.04963	4.4
97.54087	1.1
103.05451	6.1
105.07022	23.0
106.04173	5.0
107.04945	6.8
108.82738	1.2
115.05459	1.4
118.04169	5.6
119.04910	2.0
121.06488	7.1
122.07232	1.6
123.04436	8.1
124.05277	1.6
125.05984	2.5
127.03902	1.3
131.04903	2.1
133.06490	22.5
135.04387	2.5
135.08060	4.5
137.05977	16.5
140.04631	1.5
147.04431	2.0
148.05148	1.7
149.06003	9.3
150.06754	10.8
151.03906	2.6
151.07545	3.8
153.01825	18.4
153.09088	3.3
155.07004	1.8
161.05992	4.0
163.04045	1.5
163.07539	4.5
165.09100	13.3
167.07028	36.8
168.07401	2.2
177.05492	7.4
178.06212	2.0
179.06972	2.8
181.08606	7.9
183.06534	4.5
191.06970	1.7
193.08595	100.0
194.09023	5.1
195.10173	6.6
209.08081	46.8
211.09653	74.0
212.10078	1.9
213.11250	1.7
221.07974	1.4
227.09125	2.4
403.17145	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.5
53.03934	0.7
55.01887	0.2
55.05506	0.7
65.03928	0.3
67.05502	1.2
69.03421	1.4
69.07063	0.7
70.14647	0.3
70.14992	0.9
79.01846	2.2
79.05495	2.7
81.03425	1.3
81.07056	30.0
82.07358	0.7
83.04977	0.8
85.02896	0.8
85.06526	0.4
91.05482	0.8
93.07043	1.6
95.04972	0.6
95.08598	3.3
97.02889	2.4
97.06516	0.4
97.10198	0.3
98.22711	0.3
99.04454	0.3
105.07006	1.5
107.01321	0.6
107.04935	1.5
107.08593	1.2
109.02865	0.7
109.06492	0.4
109.10139	0.8
115.03906	0.6
115.05408	0.3
117.07024	0.4
119.04931	1.0
119.08581	0.7
121.02915	0.5
121.06519	0.5
121.10135	0.7
123.04427	2.1
125.02348	1.2
125.05989	0.7
125.09697	0.3
127.03921	0.5
129.34428	0.3
131.04880	0.3
132.04443	0.7
132.05478	0.3
133.06454	0.4
133.10120	0.4
135.04446	0.4
135.08063	0.4
135.11713	0.3
137.02345	1.4
137.05994	2.3
137.09636	0.6
137.13258	7.2
139.03860	0.4
143.03403	3.0
143.06973	0.3
145.04887	0.3
145.10109	0.8
147.04378	0.9
147.11705	0.5
149.05986	0.7
149.09647	0.4
151.03886	1.0
151.07542	0.4
153.01825	100.0
154.02155	2.0
159.08011	0.3
159.11687	0.3
161.05983	0.7
161.13194	0.2
163.03891	0.4
163.07449	0.3
163.11205	0.6
165.05479	0.8
165.09082	0.4
165.78447	0.2
167.06993	0.9
173.09625	0.4
175.11130	0.3
177.05441	2.2
178.04996	5.2
187.11189	0.5
189.05432	0.3
191.10657	0.4
192.77290	0.3
193.08694	0.3
195.02896	0.5
203.03447	0.3
205.04921	0.6
205.12189	0.5
206.04488	9.2
207.02820	0.5
207.04750	0.6
207.06633	0.4
215.10562	0.6
237.03960	1.4
249.03876	0.5
255.06406	0.3
255.17346	0.3
266.93546	0.3
267.04959	1.5
273.11255	0.3
285.06046	27.9
286.06293	0.9
305.02762	1.3
329.10056	0.6
416.01138	0.3
520.17493	0.3
618.21381	0.5
618.35516	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.5
53.03934	0.7
55.01887	0.2
55.05506	0.7
65.03928	0.3
67.05502	1.2
69.03421	1.4
69.07063	0.7
70.14647	0.3
70.14992	0.9
79.01846	2.2
79.05495	2.7
81.03425	1.3
81.07056	30.0
82.07358	0.7
83.04977	0.8
85.02896	0.8
85.06526	0.4
91.05482	0.8
93.07043	1.6
95.04972	0.6
95.08598	3.3
97.02889	2.4
97.06516	0.4
97.10198	0.3
98.22711	0.3
99.04454	0.3
105.07006	1.5
107.01321	0.6
107.04935	1.5
107.08593	1.2
109.02865	0.7
109.06492	0.4
109.10139	0.8
115.03906	0.6
115.05408	0.3
117.07024	0.4
119.04931	1.0
119.08581	0.7
121.02915	0.5
121.06519	0.5
121.10135	0.7
123.04427	2.1
125.02348	1.2
125.05989	0.7
125.09697	0.3
127.03921	0.5
129.34428	0.3
131.04880	0.3
132.04443	0.7
132.05478	0.3
133.06454	0.4
133.10120	0.4
135.04446	0.4
135.08063	0.4
135.11713	0.3
137.02345	1.4
137.05994	2.3
137.09636	0.6
137.13258	7.2
139.03860	0.4
143.03403	3.0
143.06973	0.3
145.04887	0.3
145.10109	0.8
147.04378	0.9
147.11705	0.5
149.05986	0.7
149.09647	0.4
151.03886	1.0
151.07542	0.4
153.01825	100.0
154.02155	2.0
159.08011	0.3
159.11687	0.3
161.05983	0.7
161.13194	0.2
163.03891	0.4
163.07449	0.3
163.11205	0.6
165.05479	0.8
165.09082	0.4
165.78447	0.2
167.06993	0.9
173.09625	0.4
175.11130	0.3
177.05441	2.2
178.04996	5.2
187.11189	0.5
189.05432	0.3
191.10657	0.4
192.77290	0.3
193.08694	0.3
195.02896	0.5
203.03447	0.3
205.04921	0.6
205.12189	0.5
206.04488	9.2
207.02820	0.5
207.04750	0.6
207.06633	0.4
215.10562	0.6
237.03960	1.4
249.03876	0.5
255.06406	0.3
255.17346	0.3
266.93546	0.3
267.04959	1.5
273.11255	0.3
285.06046	27.9
286.06293	0.9
305.02762	1.3
329.10056	0.6
416.01138	0.3
520.17493	0.3
618.21381	0.5
618.35516	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02400	0.4
52.19442	0.4
53.03938	0.9
55.01870	6.1
55.05516	0.7
56.16319	0.4
57.03434	1.4
57.07075	0.6
65.03909	0.5
67.05495	2.3
69.03061	0.8
69.03430	13.2
69.07061	1.1
69.22395	0.4
71.01353	2.7
71.04991	0.5
71.32619	0.5
79.01855	2.3
79.05494	6.3
81.03433	2.5
81.07056	70.4
81.17408	0.4
82.07397	1.7
83.08620	0.4
85.02898	5.7
85.06532	0.6
87.04466	2.3
91.05492	1.0
93.07042	1.8
95.04971	0.8
95.08611	7.3
95.53188	0.4
97.02892	17.4
97.06532	0.5
99.04440	0.8
103.62240	0.4
105.07020	2.2
107.01314	1.2
107.04985	0.8
107.08588	1.9
109.02865	3.4
109.06546	0.7
109.10173	1.1
111.04450	0.5
115.03930	7.3
119.08582	1.0
121.06514	0.9
121.10166	2.0
123.04501	0.7
125.02374	2.5
127.03921	6.6
128.61287	0.4
131.04929	0.4
131.08577	0.5
133.10066	0.8
135.08073	0.7
135.11664	0.4
137.06015	2.6
137.09653	0.7
137.13246	16.2
137.14314	0.8
139.03925	0.4
143.03404	3.5
143.08533	0.5
143.10663	0.4
145.10094	1.0
147.04431	0.6
151.03903	0.7
153.01822	100.0
154.02129	3.1
163.11211	1.2
165.05513	0.4
165.09114	0.8
167.07092	0.7
169.08623	1.3
171.02864	7.1
175.03825	0.5
178.04991	1.1
195.02884	1.3
195.10196	1.5
206.04500	1.4
227.12802	1.7
246.79192	0.4
267.04974	0.6
285.06042	85.6
286.06396	3.1
299.09100	1.5
315.06854	0.6
353.15955	0.6
447.11444	0.6
618.22607	1.6
618.34796	3.8
619.21954	0.8
619.36700	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	618.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.0
53.03942	3.5
55.01871	11.3
55.05518	5.6
57.03428	2.5
57.07080	1.2
60.56879	0.9
63.92223	1.2
65.03965	0.9
67.05517	8.4
69.03429	10.6
69.05164	3.3
69.05584	6.4
69.07066	13.0
71.05002	6.3
76.02235	10.6
79.01879	1.4
79.05489	15.1
81.02965	1.8
81.03421	28.1
81.07061	19.7
82.07378	1.1
83.04996	5.0
83.08610	2.3
84.04486	2.6
85.02903	3.8
85.06539	5.4
91.05474	10.9
93.07047	33.1
94.07352	1.0
95.04967	16.4
95.08614	15.1
97.02888	4.5
97.06541	11.9
97.10149	1.4
98.23343	1.8
99.04460	11.9
103.05482	2.7
105.06358	1.8
105.07034	27.8
106.07385	2.1
107.04953	21.3
107.08595	47.9
107.15405	0.9
108.08916	1.4
108.35647	1.2
109.02879	23.0
109.05840	1.4
109.06529	11.2
109.10143	3.6
111.04449	1.9
111.08086	6.3
111.11704	1.1
113.05989	5.3
115.05466	2.7
116.01673	3.0
117.07027	2.9
119.08593	9.9
121.06506	15.3
121.10141	27.7
123.04419	3.0
123.08060	10.0
123.11693	1.4
125.02346	2.1
125.06003	1.2
125.09665	1.8
127.03924	19.9
127.07572	2.2
129.07051	1.7
130.04999	3.3
130.07770	1.4
131.04764	1.0
131.08560	4.1
133.06496	5.0
133.10136	2.9
135.04442	1.9
135.08060	10.0
135.11700	12.7
137.05972	3.9
137.09586	5.4
137.13249	1.0
139.07588	1.2
139.11177	3.1
143.03395	1.2
143.08548	0.9
144.01186	1.0
145.04951	0.9
145.06113	1.6
145.10126	23.0
145.96504	0.9
147.04456	0.9
147.08046	2.1
147.11684	5.3
149.06021	2.4
149.09613	14.8
151.07538	9.4
151.11142	1.1
153.01831	21.8
153.03041	1.4
153.12720	1.7
158.07251	1.5
159.08087	2.1
159.11682	1.0
161.05991	4.3
161.09662	2.0
162.02165	4.5
162.06482	1.0
163.07573	15.7
163.11183	62.6
164.11531	2.3
165.12752	1.7
167.07040	43.5
167.10681	25.1
168.07387	2.2
169.08600	66.4
170.08939	2.1
173.09593	6.6
173.13164	1.1
175.07475	1.2
177.03275	4.2
177.05521	2.8
178.05017	6.0
179.04825	6.3
180.07863	1.4
181.08615	1.2
181.12227	13.5
185.11707	3.2
187.07535	1.4
187.11244	1.0
189.09106	1.7
191.10657	30.4
192.10947	1.2
193.08618	2.3
194.09085	1.1
195.10178	14.6
205.12267	1.2
206.04480	9.9
209.11737	37.9
210.12083	1.5
211.13293	1.6
213.11223	54.3
214.11546	4.2
223.13303	2.6
227.12776	100.0
228.13148	4.6
233.05840	2.5
245.13785	1.3
255.12256	3.6
269.13806	7.6
271.13351	1.4
275.20041	1.3
277.10648	1.4
289.14328	3.8
293.21094	17.0
299.09128	2.6
303.12503	1.1
306.07635	1.7
308.09186	8.3
309.16724	1.3
311.14847	1.1
317.13794	3.8
321.13257	1.1
327.08551	1.9
335.14844	8.4
353.15961	34.9
354.16327	1.8
371.16980	26.2
372.17279	2.7
389.18115	2.6
530.12415	1.0
618.26556	1.2
618.35950	7.3
619.23187	2.8
619.35748	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.4
55.01866	0.4
55.05511	0.2
60.98271	0.2
65.03934	0.4
68.23792	0.2
69.36720	0.8
69.37139	0.4
77.03935	0.2
78.04688	0.2
79.05489	3.5
79.05932	0.3
80.05756	0.2
81.07066	0.2
91.05476	2.4
93.07051	0.2
95.04960	1.5
95.72063	0.2
103.05465	3.0
105.07024	4.8
106.04079	0.2
107.04948	39.5
107.08580	0.8
108.05266	1.0
110.03615	0.2
115.05441	2.6
117.07038	1.1
119.04884	0.4
119.08530	0.2
120.05706	1.2
121.06490	0.3
121.30428	0.2
123.04369	0.4
124.05206	0.7
125.05979	0.6
131.04887	0.8
133.06480	0.7
134.07225	0.2
135.08046	11.4
136.08414	0.2
137.05959	0.6
139.03862	0.2
143.08565	0.4
145.06528	0.3
145.07603	0.8
147.04404	0.7
148.05176	0.4
149.05933	0.2
151.03899	0.3
152.04701	0.3
154.06226	3.0
161.05939	0.3
163.07536	18.9
164.07912	1.0
165.05479	0.6
167.07027	19.5
167.63564	0.2
168.07372	0.7
171.07932	0.2
178.06247	0.6
180.07785	3.9
181.08452	0.7
193.08633	1.3
195.10150	100.0
196.10478	4.5
203.10634	0.2
212.41867	0.2
235.13301	2.4
293.54587	0.2
389.19458	1.3
456.80209	0.2
534.50098	0.2
599.30176	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.7
55.01856	1.7
55.05510	11.7
56.05839	0.8
57.07070	1.8
59.04996	1.5
65.03929	3.5
65.38332	0.7
67.05508	15.1
67.12978	0.8
68.05824	1.4
69.03411	2.0
69.07067	9.3
71.05000	2.8
71.31451	0.7
77.31975	0.7
79.05490	11.3
80.05839	1.2
81.03403	1.0
81.07056	21.2
82.07390	2.3
82.51389	0.7
83.04543	0.8
83.04975	5.1
83.08621	12.8
84.08904	0.7
85.06538	3.4
87.04481	1.1
91.05477	26.9
92.05795	2.6
93.01070	0.7
93.07047	18.6
93.97693	0.7
94.07352	1.7
95.04958	6.1
95.08603	22.2
96.03665	0.8
96.05260	1.1
96.08928	2.3
97.06527	5.2
97.10149	3.8
99.04459	0.8
99.08086	1.3
101.06007	2.6
103.42251	0.7
104.10733	1.5
105.07023	20.0
106.07343	1.6
107.04960	1.0
107.07845	0.9
107.08589	18.5
108.08889	1.1
109.06518	3.2
109.10152	12.9
110.10464	1.7
111.04436	3.1
111.08061	2.8
111.11718	0.9
113.06040	1.0
113.09658	1.2
115.05424	1.4
117.07041	5.1
119.04943	30.3
119.08578	16.7
120.05279	3.4
120.08920	1.3
121.06515	2.4
121.10144	16.1
122.10428	1.6
123.08105	5.1
123.08865	0.9
123.11690	3.9
125.09599	4.1
128.06218	1.7
129.05493	1.4
129.07010	3.7
130.07790	1.3
131.08571	12.9
133.10138	13.7
134.10487	1.3
135.08057	3.3
135.11705	8.2
136.11993	1.3
137.05998	1.5
137.09598	2.3
137.13255	2.0
139.11192	4.0
140.11540	1.1
141.07034	1.2
142.07808	3.6
143.08580	8.1
144.09290	1.9
145.06500	0.9
145.10126	12.3
146.10439	1.3
147.04405	100.0
147.08073	3.0
147.11688	8.1
148.04739	17.8
149.09650	3.0
149.13269	3.6
150.13626	1.6
151.07523	0.9
151.11169	1.0
153.01839	1.0
153.09077	1.3
153.92520	0.7
154.07695	0.9
155.07208	0.7
155.08514	3.6
155.10645	3.3
156.09288	2.2
157.10129	11.0
158.10939	0.7
159.08040	3.1
159.11720	6.3
160.08847	2.0
160.11975	1.1
161.09596	3.0
161.13254	3.4
163.11223	2.2
163.14835	1.5
165.05461	2.5
165.06877	1.1
165.09052	1.0
167.08553	2.5
167.10663	3.5
168.05647	0.7
169.10149	5.5
170.10918	1.7
171.10263	1.5
171.11626	7.0
172.12306	0.9
173.09650	1.9
173.13257	5.0
174.13742	0.8
175.11189	2.3
175.14850	3.7
177.05577	1.3
177.12756	0.9
177.16379	5.6
178.16689	1.0
179.08549	1.6
180.09314	1.7
181.10143	3.0
181.12209	4.5
182.10924	2.2
183.11714	3.8
185.09644	1.0
185.13292	4.2
187.11205	1.3
187.14818	4.0
188.15225	1.3
189.16370	3.2
191.14308	2.6
191.17990	1.2
192.09348	1.2
193.10115	2.6
194.10925	1.4
195.11697	4.0
196.12424	1.7
197.13281	6.9
199.14815	3.3
201.12810	1.2
201.16351	4.6
202.16718	1.4
203.14339	2.1
203.18030	4.0
205.12210	0.9
207.11703	2.4
208.12428	1.2
209.13243	2.2
210.13998	1.2
211.11391	1.3
211.14833	3.2
213.12773	1.1
213.16467	1.6
215.14330	3.2
217.15842	1.1
219.11687	1.0
219.13812	1.0
221.13187	2.1
221.15387	4.9
222.14088	1.0
223.14809	1.8
225.14639	1.4
225.16533	1.5
227.14325	1.2
229.15846	0.9
231.17412	1.4
233.15363	8.4
234.15848	1.1
235.14827	1.7
239.14401	0.8
239.17792	1.2
244.21324	0.8
245.15346	0.8
246.13609	0.8
247.14818	1.0
247.17088	1.5
249.16295	1.3
252.22092	0.8
253.19290	1.1
255.17448	4.8
261.16226	1.3
261.22214	1.1
262.22595	1.2
263.18082	1.0
269.19052	1.3
271.20538	1.3
277.21683	1.7
279.23264	3.9
280.23505	3.8
286.19260	1.1
295.22757	1.7
297.24292	1.9
298.24695	2.0
335.21985	1.2
337.25641	0.9
365.24936	1.8
383.25510	1.4
390.27380	1.1
396.29590	1.0
400.33002	1.2
408.28503	0.9
408.33337	2.0
409.34448	1.9
417.33423	1.2
418.33838	1.4
435.33243	1.0
436.34103	2.9
447.31027	1.6
454.34180	2.1
455.35022	2.3
465.31998	1.1
546.38391	2.4
564.39630	2.2
582.40552	1.4
618.36450	2.9
619.38281	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	619.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.5
55.01870	0.1
55.05510	1.3
57.07082	0.5
63.02354	0.9
65.03943	0.4
67.05501	2.2
67.38903	0.1
69.07069	1.8
71.04990	0.3
71.32248	0.2
72.64292	0.1
77.03940	0.2
78.64160	0.1
79.05494	3.0
81.03398	0.3
81.07057	5.0
82.07397	0.2
83.04974	0.2
83.08613	1.1
85.06545	1.1
87.81022	0.1
89.03914	10.2
90.04252	0.2
91.05478	3.6
92.05844	0.2
93.07044	3.9
94.07321	0.2
95.04961	0.6
95.08604	8.5
96.08913	0.2
97.06543	0.2
97.10171	0.5
105.04567	0.1
105.07029	3.0
107.04959	2.6
107.08595	5.5
108.05319	0.1
108.08958	0.1
109.06497	0.2
109.10159	3.9
111.11761	0.1
117.03380	10.4
117.07009	0.4
118.03712	0.4
119.04948	2.9
119.08572	3.2
120.05299	0.2
120.08934	0.2
121.10144	4.9
123.08158	0.2
123.11688	1.5
129.06995	0.3
131.08568	0.9
133.09163	0.3
133.10136	2.8
135.04413	20.8
135.11688	5.4
136.04738	0.6
136.11929	0.2
137.13257	3.1
138.13591	0.2
143.08548	0.6
144.41899	0.1
145.02847	14.2
145.10110	1.4
146.03206	0.3
146.10498	0.2
147.04404	11.6
147.11679	2.4
148.04753	0.6
148.12059	0.2
149.13255	4.7
150.13622	0.2
151.07478	0.2
151.14819	0.8
153.01799	0.3
157.10150	0.9
159.11691	1.4
161.09651	0.2
161.13277	1.5
163.03897	100.0
163.14775	0.7
164.04228	3.6
165.05513	0.2
169.10124	0.5
171.11670	1.1
173.04099	0.2
173.09549	0.2
173.13254	1.0
175.11252	0.3
175.14822	0.6
177.12779	0.6
177.16377	7.8
178.16713	0.3
179.14418	0.2
179.17899	0.2
181.04959	0.7
183.11644	0.7
185.13243	1.7
186.05476	0.3
187.11180	0.3
187.14758	0.9
189.11232	0.2
189.12727	0.5
189.16359	2.1
191.14407	0.2
191.17938	1.8
193.19559	0.2
195.11646	0.3
195.13754	0.2
197.13261	0.6
199.14804	1.1
200.15120	0.2
201.12732	0.4
201.16370	1.0
203.14262	0.4
203.17961	4.5
203.19858	0.2
204.18251	0.3
205.12276	0.2
205.15863	0.3
205.19568	0.4
209.13211	0.2
211.14920	0.1
213.12747	0.3
213.16295	0.3
215.14328	1.7
215.17873	0.4
217.15926	0.3
217.19510	1.3
223.13133	0.8
223.15059	0.2
225.16365	0.8
227.14233	0.2
227.17899	0.3
229.15866	0.2
231.13716	0.2
233.15355	0.2
235.13266	0.5
237.16428	0.2
239.17844	0.3
241.15787	0.7
241.19484	0.2
243.13824	0.4
243.17477	0.8
245.15407	0.2
249.14690	0.2
253.19493	0.2
257.18951	0.3
259.13205	0.2
261.14853	1.6
263.16400	0.3
269.15479	0.2
269.18918	0.3
271.16858	0.3
279.23178	0.2
283.20551	0.2
285.18292	0.2
287.16397	0.3
289.17902	1.2
291.19235	0.2
297.18488	0.2
301.18018	0.2
315.19489	0.7
343.22421	0.2
345.24197	0.2
375.30292	0.4
383.25735	0.2
393.31549	1.6
394.31638	0.2
421.31012	1.3
437.29807	0.2
439.32083	6.9
440.32370	1.0
455.31360	0.5
470.10574	0.1
547.43634	0.1
619.36462	2.1
620.36407	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	5.3
57.07065	1.6
60.47343	0.9
65.03933	1.4
67.05520	5.1
69.07070	5.6
79.05514	4.4
81.07053	12.0
83.08614	5.9
87.04433	1.1
91.05471	16.2
93.07048	11.3
95.04951	1.2
95.08601	19.4
96.08948	0.9
97.10193	1.7
105.07025	12.3
107.08593	17.0
109.10150	10.2
117.07024	1.5
119.04941	27.1
119.08570	25.0
120.08931	1.2
121.10147	14.7
123.11695	6.9
131.08537	5.6
133.10126	16.9
135.11696	9.4
137.13254	1.9
143.08557	2.4
145.10138	8.5
147.04402	100.0
147.11685	13.7
148.04750	3.7
148.12061	1.0
149.13232	7.0
151.14835	1.2
151.54297	1.0
153.09013	0.9
157.10143	1.6
159.11691	10.3
161.13245	8.5
163.14821	7.1
165.05475	29.9
171.11707	1.3
173.13206	5.7
175.14815	12.3
177.16385	10.8
185.13220	2.0
187.14801	4.9
189.16391	22.0
189.37744	0.9
190.16658	0.9
191.17992	4.7
199.14769	2.5
201.14682	1.7
201.16377	18.4
202.16718	1.5
203.17950	29.4
205.15872	1.3
205.19565	1.2
207.17416	5.6
213.16408	6.3
215.17946	14.2
216.18315	1.0
217.19453	2.5
219.17480	1.5
227.17924	1.9
229.19589	1.5
235.16962	2.7
239.17950	1.6
241.19513	2.1
243.21181	2.4
247.16878	4.2
249.18472	2.4
255.21002	1.9
259.16794	2.6
261.18399	7.5
267.20956	1.8
287.19949	1.3
356.87262	0.8
391.33591	6.8
409.34641	11.2
410.35016	1.7
411.32507	7.4
437.34085	31.5
438.34445	2.8
533.77814	0.9
562.67401	1.0
619.32416	7.5
620.31982	1.4
649.12592	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15622	0.7
50.92671	0.7
53.03938	1.2
55.05498	5.0
56.79105	0.8
57.07074	5.7
65.03924	1.9
67.05502	6.3
69.07053	7.9
69.48728	4.0
71.08634	0.7
79.05482	4.9
81.06603	1.2
81.07048	15.9
83.04951	1.1
83.08610	5.0
87.04459	33.5
87.04991	1.6
88.04800	4.9
89.03899	1.9
89.06058	0.7
91.05468	15.5
93.07031	12.2
94.94357	0.7
94.96649	0.8
95.04951	1.5
95.08595	26.6
96.08947	0.7
97.10140	1.7
98.22618	0.9
105.04501	0.8
105.07016	12.8
107.04946	0.9
107.08582	19.9
108.08930	0.7
109.10146	13.0
117.03387	3.3
117.06996	1.5
119.04931	25.1
119.08570	21.2
120.05286	1.5
121.06487	2.2
121.10135	21.0
122.06858	0.7
123.08006	0.9
123.11683	6.8
128.06184	1.0
129.06987	2.0
130.53111	0.7
131.08568	4.6
133.10110	13.9
134.10472	0.7
135.04398	5.5
135.08075	1.0
135.11684	14.1
135.12695	0.5
137.13225	5.9
143.08566	4.3
145.02855	4.1
145.10094	6.4
147.04393	100.0
147.11665	10.4
148.04732	4.7
149.09607	1.1
149.13225	9.4
151.14763	1.4
153.08977	1.2
157.10133	2.7
158.10847	1.3
159.11679	7.0
161.09644	0.8
161.13252	8.1
163.03893	29.4
163.05275	1.4
163.11240	0.7
163.14815	5.7
164.04266	0.8
165.05466	30.3
165.16403	0.8
166.05821	1.3
169.10132	1.2
171.11703	3.1
173.13232	4.6
175.14796	8.6
177.16360	15.3
183.11728	1.3
185.13261	1.2
187.14790	4.4
189.14645	1.2
189.16348	15.6
191.10674	0.8
191.17897	8.2
199.14767	4.1
200.15137	0.7
201.16354	15.1
202.16795	1.3
203.14188	0.9
203.17941	22.1
204.18312	1.4
205.19507	1.1
213.16368	19.4
214.16811	1.5
215.17941	7.8
217.15843	1.3
217.19565	1.4
221.19003	1.4
224.31779	0.9
227.17972	1.8
229.19543	1.4
231.17471	2.0
233.19199	1.0
235.17021	1.0
239.18060	1.0
241.19444	6.9
241.21593	0.9
242.19868	0.9
243.21187	1.6
247.16956	2.4
249.18533	3.3
255.21135	2.6
259.16913	7.8
260.17386	1.0
261.18481	2.7
267.21118	2.6
277.21677	1.1
287.20062	2.1
313.21515	0.8
365.32083	1.1
385.30167	0.8
391.33539	4.9
409.34592	11.0
411.32352	1.8
428.37112	0.9
437.34103	17.2
438.34485	2.3
439.35797	2.0
601.38788	2.2
619.39978	28.4
620.39874	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	619.3987
Annotation	Tabernaebovine
Peak:m/z	Relative Intensity
53.03947	1.1
53.18320	0.9
55.05507	4.8
57.07079	2.3
65.03931	1.4
67.05505	6.4
69.07072	5.8
70.38869	2.6
79.05486	4.2
81.07055	12.3
83.08613	5.8
87.04468	1.9
91.05479	16.0
92.05795	1.5
93.07046	10.9
95.08600	21.1
102.84435	1.2
105.07034	13.1
107.08586	16.1
109.10145	12.7
110.10467	1.2
117.06999	1.0
119.04943	26.7
119.08578	21.6
120.05267	0.9
120.08932	1.0
121.10140	17.3
123.11709	9.9
129.07109	1.0
131.08572	4.3
133.10117	17.1
133.13188	1.0
134.10448	1.0
135.11674	8.8
137.13147	1.0
143.08568	3.0
145.10106	10.8
147.04398	100.0
147.11674	11.4
148.04733	8.8
149.13263	7.9
151.14894	1.0
153.09103	2.1
157.10120	2.1
159.11693	9.0
160.19061	1.0
161.13254	7.9
163.03946	1.3
163.14832	5.2
165.04051	1.5
165.05464	30.1
169.10065	1.5
171.11725	2.0
173.13303	4.7
175.14806	9.8
176.15143	1.0
177.09146	1.3
177.16367	14.3
186.13945	1.0
187.14815	6.0
189.16385	18.3
190.16757	2.0
191.18031	4.9
197.13280	1.3
199.14862	2.2
201.16353	15.3
203.17952	22.4
204.18329	1.1
205.15787	4.4
205.19543	1.3
207.17436	2.7
213.16360	2.5
215.17914	13.2
215.21288	1.0
216.18326	1.9
217.15860	1.5
217.19447	2.5
219.17511	1.2
227.17900	1.3
229.19563	2.4
235.16931	2.1
239.17871	1.2
241.19493	2.0
243.21034	1.4
247.16902	5.8
249.18573	1.6
253.19728	1.0
255.21030	1.5
259.16904	1.3
261.18457	10.9
295.24106	1.1
317.36163	1.1
323.94806	0.9
378.48880	1.0
391.33698	6.1
392.33826	1.0
409.34589	7.3
411.32324	6.7
431.73248	1.0
437.34140	23.6
438.34589	2.9
619.38733	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	619.3993
Annotation	Uncarinic acid E
Peak:m/z	Relative Intensity
51.02414	0.5
51.96228	0.5
54.92882	0.5
55.05502	3.9
55.13271	0.5
57.01089	0.6
57.07071	2.5
65.03928	2.0
67.05499	7.1
69.03413	0.5
69.07067	6.0
71.08604	0.8
77.03936	0.6
79.05483	4.8
81.06615	1.0
81.07055	13.0
83.08612	4.3
85.06549	0.6
91.04922	1.1
91.05478	15.3
93.07035	10.6
95.04948	1.0
95.08601	21.0
97.06506	0.8
97.10189	1.2
99.08114	0.9
105.07030	10.5
107.04919	2.0
107.08591	19.4
108.08854	0.8
109.10151	17.3
110.10461	0.9
111.08085	1.2
113.09599	0.5
117.03371	0.5
117.07018	1.7
119.04935	23.4
119.08572	16.1
120.05219	0.6
120.08916	1.0
121.10143	15.5
122.10454	0.6
123.04430	1.5
123.08030	0.8
123.11707	6.1
125.09574	0.7
129.06979	1.0
131.08574	5.3
133.09160	1.2
133.10126	18.0
134.10435	0.8
135.04379	1.7
135.11678	11.0
137.13232	8.3
138.13640	0.7
139.11211	1.0
143.08543	2.0
145.02815	1.0
145.10112	7.6
147.04399	100.0
147.11674	9.4
148.04735	3.6
148.12015	0.6
148.99496	0.5
149.09586	0.5
149.13254	10.0
151.11143	0.8
151.14798	2.1
153.09067	0.6
157.10117	2.4
159.11693	4.9
161.13232	7.3
163.03911	6.4
163.14807	8.4
165.05470	17.0
165.12741	1.1
165.16444	0.6
166.05823	0.7
167.03471	0.9
171.11632	3.0
173.13289	4.0
175.14815	8.9
176.15109	0.7
177.16382	10.3
178.16794	0.5
179.17932	0.6
183.11763	1.0
185.13277	2.8
187.14809	8.6
189.05249	2.9
189.16399	9.3
191.17918	3.3
193.15872	1.2
195.17412	1.7
197.13194	1.4
199.14790	2.6
201.16373	9.1
203.17934	14.4
204.18205	1.2
205.15836	1.6
207.17432	1.0
211.14799	0.5
213.16362	3.7
214.16939	0.6
215.17940	5.3
216.07610	1.9
217.08299	2.4
217.19499	1.4
219.13939	0.6
219.17503	0.9
221.15407	0.9
225.16364	1.0
227.17949	1.3
229.08354	1.0
229.19498	2.3
233.15323	1.3
234.15782	0.6
237.86131	0.5
239.17809	0.6
241.19463	1.8
243.21146	0.7
245.19102	1.0
247.16942	1.3
249.18462	0.9
253.19455	0.8
255.21043	1.7
259.16965	1.2
261.18442	1.2
267.21072	0.9
269.22546	0.7
271.24271	0.8
281.22522	1.8
283.24060	0.7
285.18610	0.6
309.25760	0.7
327.23169	1.1
341.24847	1.3
351.30682	1.0
355.25977	0.8
391.33633	3.6
397.30966	6.7
398.31302	1.0
409.34595	5.5
410.17023	4.2
410.35059	0.7
411.17587	1.7
421.35065	0.6
437.34171	8.3
438.34464	0.9
455.35208	7.1
456.35544	0.9
464.28259	0.5
589.23773	1.1
591.84241	0.7
601.38141	2.2
602.39014	0.6
619.24854	5.0
619.37152	3.4
620.25146	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3987
Annotation	Tabernaebovine
Peak:m/z	Relative Intensity
55.05516	6.4
57.07056	3.9
61.95188	1.2
65.03965	2.2
67.05491	8.0
68.74950	1.3
69.07064	6.4
70.49039	3.0
70.49374	1.4
79.05495	6.4
81.07058	18.5
83.08607	4.4
88.49997	1.4
91.05488	17.6
93.07034	14.3
95.04950	1.6
95.08607	29.3
97.10155	1.6
105.07034	12.6
107.08595	24.4
109.10151	11.6
119.04945	28.7
119.08593	16.6
121.10150	18.4
123.04457	1.4
123.11695	5.3
129.07025	1.8
131.08551	3.9
133.10165	10.2
135.11693	15.5
137.13252	7.7
143.08516	2.1
145.10114	7.4
147.04405	100.0
147.11646	9.1
148.04771	3.7
149.13252	13.9
157.10089	2.5
159.11681	5.7
161.13249	5.2
163.14836	3.2
165.05466	28.5
171.11699	4.7
173.13283	3.4
175.14809	6.5
177.16338	13.2
185.13272	4.0
187.14833	5.5
189.16351	11.4
191.17903	4.3
199.14833	2.6
201.16391	9.5
203.17941	23.1
207.17456	1.7
213.16397	6.3
215.17921	3.7
217.19449	1.8
241.19447	4.5
243.86810	1.4
253.19691	1.8
259.16907	4.9
275.19901	1.3
301.21689	1.4
362.42038	1.5
365.32224	1.6
379.85428	1.6
391.33569	4.3
409.34708	7.9
411.32477	4.1
437.34271	15.9
438.34167	2.0
515.70270	1.5
618.74249	1.7
619.38666	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87750	5.3
53.03956	6.9
54.34895	4.5
55.05522	14.2
57.07051	6.0
67.05518	24.7
69.07069	15.0
69.46790	21.1
69.47200	11.7
71.73094	4.8
79.05491	19.5
81.07074	44.3
83.08614	14.4
85.06564	5.9
91.05473	28.5
93.07036	26.1
93.70715	5.2
95.04982	5.5
95.08603	56.5
97.06568	5.3
97.10153	6.7
98.22591	8.4
102.41068	5.4
105.07014	33.5
107.04959	45.8
107.08580	42.5
109.09512	4.8
109.10125	32.7
115.69598	4.9
117.07023	8.8
119.04950	29.6
119.08556	45.3
121.10122	34.2
123.07963	5.7
123.11697	15.3
125.09673	9.1
131.08549	14.0
133.10135	39.1
135.04436	10.2
135.11703	26.1
142.02142	4.6
145.02837	8.5
145.10138	35.9
147.04396	100.0
147.11711	17.9
148.04752	19.9
148.12013	6.5
149.13293	17.1
157.10083	5.6
159.11705	17.3
161.13275	16.8
163.03880	34.9
163.14879	11.6
164.04301	6.8
165.05507	7.9
173.13260	13.8
175.14845	14.9
177.16386	18.2
185.13202	7.5
187.14815	30.7
189.16418	30.1
191.17926	12.7
199.14861	7.3
201.16338	24.7
203.17960	13.8
205.15871	5.8
210.14084	5.2
211.99736	5.5
213.16492	8.1
215.17892	10.7
219.17429	7.5
233.18956	8.7
247.16791	6.0
389.31793	7.9
407.32980	14.3
409.34592	9.7
411.32751	6.4
453.33484	15.1
497.76221	5.3
619.38098	39.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26547	1.1
55.01864	2.5
55.05512	11.4
57.07068	4.7
59.47071	1.1
65.03947	2.8
67.05512	14.9
69.07066	12.7
69.34371	8.1
70.07402	1.0
71.04991	2.0
71.08647	1.5
79.05501	14.1
81.07059	20.6
83.04967	1.8
83.08625	11.8
85.06531	2.4
89.06018	2.8
91.05486	22.4
92.05824	1.5
93.07042	21.1
95.04962	4.6
95.08605	37.8
96.08949	2.0
97.06522	2.6
97.10156	3.9
105.07033	22.9
107.04256	1.9
107.04959	29.0
107.05678	1.8
107.08593	29.3
109.06533	2.1
109.10158	21.4
111.08052	3.1
111.11717	1.5
111.58092	1.1
117.07003	3.7
119.04945	28.2
119.08578	38.6
121.06491	3.6
121.10149	27.9
122.10468	2.0
123.04443	8.6
123.08087	1.5
123.11702	11.3
125.05962	1.7
125.09620	4.3
125.27672	1.0
128.06287	1.1
129.07030	2.8
131.08540	10.4
132.08925	1.3
133.08607	2.5
133.10132	26.7
134.10458	2.0
134.13832	1.2
135.08078	2.9
135.11696	17.7
137.05957	1.8
137.09587	1.7
137.13239	2.3
139.11188	1.7
143.08574	8.1
145.10136	19.5
147.04405	100.0
147.11681	19.7
148.04730	3.6
148.12009	1.9
149.05981	1.5
149.09596	2.7
149.13231	7.3
151.07521	1.8
151.11089	1.3
151.14783	1.8
153.05420	2.7
153.09096	4.2
157.10121	4.2
159.11702	15.2
160.12193	2.4
161.13257	13.3
163.07510	1.3
163.11171	2.0
163.14792	10.4
165.05490	26.1
165.09035	1.4
166.05844	1.6
169.10130	2.3
171.11688	4.6
173.09630	1.0
173.13220	11.6
175.14828	18.5
177.05466	5.0
177.09113	1.9
177.16373	13.0
179.07060	2.0
183.11700	2.5
185.13275	2.7
187.14825	13.7
189.16402	21.7
190.56831	1.5
191.17950	9.0
193.15869	1.7
195.06482	3.0
199.14798	5.7
201.16391	22.3
203.17952	24.6
204.18213	1.9
205.15886	8.0
205.19571	1.5
207.17505	3.1
213.16336	10.5
215.14598	1.7
215.17946	20.7
217.19540	3.6
219.17404	6.5
225.16434	1.7
229.19518	3.4
233.18912	1.6
235.16972	3.5
239.17792	1.5
240.18555	1.1
241.19501	4.1
243.21126	3.0
247.16948	9.6
249.18590	2.3
255.21069	1.7
261.18546	12.7
261.21249	1.6
269.22525	2.0
275.20062	2.2
279.23300	1.8
280.23682	2.0
301.21707	1.7
313.25284	1.5
315.23227	1.2
337.10449	1.3
389.31937	3.0
391.33603	5.5
407.33121	9.6
409.34912	6.1
411.32446	5.7
412.32532	1.3
431.31363	1.8
435.32446	6.3
437.34189	23.1
438.34274	3.5
505.98990	1.2
527.47614	1.2
555.26813	1.2
619.38422	15.2
620.39740	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.9
55.05508	5.4
57.07075	2.0
61.67245	1.1
65.03936	2.8
67.05498	12.5
69.07066	11.0
78.92728	1.1
79.05496	8.4
81.07057	25.8
83.05027	2.3
83.08628	8.6
85.06561	1.5
91.05482	20.0
93.07047	20.4
95.04986	4.2
95.08611	34.5
96.08973	1.7
97.06546	2.7
97.10204	2.8
99.08057	1.5
105.07040	17.5
107.04951	15.0
107.08591	27.2
109.10149	17.4
109.98769	1.2
113.88739	1.1
117.07039	2.7
119.04936	25.1
119.08582	20.5
121.06503	2.3
121.10152	23.4
123.04470	6.2
123.08088	3.0
123.11700	9.5
125.09664	3.0
129.06966	2.0
131.08574	9.1
133.10118	15.6
135.08095	2.3
135.11690	18.0
135.62721	1.1
137.09674	1.5
137.13269	8.7
138.13586	1.2
143.08592	4.2
145.10118	12.0
147.04408	100.0
147.11668	14.1
148.04742	3.5
149.09695	1.3
149.13251	16.1
150.13603	1.2
151.11169	2.3
151.14804	1.9
153.01840	1.7
157.10101	4.4
159.08075	1.5
159.11693	7.8
161.09570	1.3
161.13248	6.5
163.14865	5.0
165.05486	28.9
165.06799	2.0
171.11714	5.3
173.13255	7.4
175.14838	13.4
177.05519	2.0
177.16389	19.5
183.11678	1.8
185.13257	4.1
187.14844	12.0
189.16373	15.6
191.17899	5.8
197.13333	1.6
199.14836	5.3
201.16400	14.0
203.17949	18.9
205.15837	3.5
207.17474	2.6
211.14827	1.9
213.16406	9.3
214.17065	1.5
215.17940	6.8
217.19545	3.4
219.17357	3.0
229.19524	2.1
233.15460	2.2
235.17062	1.7
239.17987	2.0
241.19516	5.4
249.18538	2.3
253.19484	2.2
255.21231	2.4
259.16989	3.9
261.18427	1.6
267.21039	1.9
287.19949	2.4
298.24896	1.5
391.33759	6.0
396.27612	1.4
407.33109	7.7
409.34595	3.8
411.32645	3.1
414.55032	1.4
435.32852	2.6
437.34128	13.8
438.34354	2.1
619.38049	8.9
620.37091	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36048	0.8
51.02380	0.8
53.03928	1.1
55.01883	1.7
56.40385	0.8
57.54944	0.8
58.50950	0.8
61.67952	0.8
66.22047	0.7
67.05501	2.4
69.03418	1.7
69.07047	1.0
71.04999	1.2
71.32977	1.6
76.79868	0.8
79.01850	3.4
79.05475	1.8
81.03411	6.3
81.07048	4.3
83.04961	2.2
85.02895	3.0
91.05486	2.4
93.07037	5.5
95.04984	1.5
95.08582	4.0
97.02901	2.7
97.06525	2.2
99.04456	2.6
105.07038	4.3
107.01293	2.6
107.04986	1.1
107.08587	3.3
109.02886	5.1
109.03520	0.7
109.06505	2.9
111.04485	0.7
111.08057	1.6
111.38226	0.7
113.93818	0.8
119.08567	2.2
120.69509	0.9
121.02847	0.9
121.06505	9.7
121.10130	1.0
123.04443	1.8
125.02352	3.6
125.05972	2.8
127.03924	8.8
127.07540	1.6
129.42262	0.8
131.08484	0.8
133.10124	1.8
134.47522	0.8
135.07988	1.0
137.02362	0.9
137.05956	2.4
139.03941	1.4
139.07567	2.1
143.03404	4.5
143.07022	1.3
144.03735	0.9
145.10100	1.4
147.04404	1.2
147.11716	4.1
151.03925	1.7
151.07552	0.9
151.11136	1.3
153.01819	100.0
153.02878	4.4
154.02135	10.3
154.03207	1.3
157.08624	1.7
157.10144	1.6
159.06573	1.6
161.05937	1.2
161.09630	1.2
161.13286	1.0
165.12729	1.2
167.07056	3.2
169.12250	1.7
171.02873	9.0
171.11641	2.2
175.11057	3.9
181.10107	0.8
189.12750	2.9
193.12297	4.3
199.11111	3.1
207.10219	1.3
207.13786	3.0
211.13234	4.1
217.12238	10.6
229.14374	2.7
235.13266	19.5
236.13695	1.0
253.14340	26.5
254.14584	1.3
271.15329	6.2
279.04990	1.2
289.16406	6.4
297.06052	3.6
314.86081	0.8
315.07062	11.6
316.07562	1.1
620.20129	0.8
621.12817	1.0
621.21729	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	620.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	6.5
55.05506	61.0
67.05502	28.7
69.03423	10.3
69.07066	11.6
71.04999	2.2
71.10394	2.7
73.14015	1.3
79.05488	23.7
81.07053	18.4
83.04964	4.5
83.08612	44.2
85.06564	2.9
86.12808	1.4
91.05473	5.6
93.07030	10.9
95.08576	5.3
96.96935	1.6
97.10159	86.4
98.10470	2.1
105.07036	2.5
107.08573	31.2
109.10133	5.6
111.08057	5.2
117.07009	2.2
119.08586	3.4
121.10145	3.7
125.09618	92.2
126.09939	3.3
131.08585	2.1
133.10123	1.6
135.08022	9.3
135.11720	1.7
143.10643	4.2
150.05476	2.5
153.09082	22.8
163.07504	2.1
168.06570	6.3
169.06902	1.5
171.10152	4.7
189.11205	54.3
189.16440	2.0
190.11516	2.3
227.12750	100.0
228.13107	5.7
245.13884	7.6
293.98392	1.5
305.17514	2.2
379.21204	10.0
380.21133	1.9
397.22177	61.1
398.22409	4.8
415.23227	81.7
416.23593	8.9
549.30499	12.7
550.31018	2.9
567.31519	30.6
568.31720	4.3
578.66193	1.7
585.32599	26.0
586.32617	5.8
621.32642	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.7
53.03949	9.6
55.01871	5.6
55.05505	11.9
55.58033	1.4
57.03443	2.1
59.04997	1.4
65.03931	2.6
67.05509	15.0
69.03425	11.9
69.07065	18.2
70.47316	2.1
70.47659	3.4
71.04986	6.7
74.09744	1.3
77.03938	2.3
79.05492	27.2
81.03418	24.8
81.07056	38.5
81.07505	2.9
83.04980	22.0
83.08628	5.9
85.02905	12.2
85.06565	4.1
91.05473	34.9
93.07044	100.0
94.07352	1.7
95.04968	21.3
95.08603	32.9
97.02903	11.1
97.06534	25.7
97.10146	2.3
99.04454	16.1
101.06049	1.9
103.05463	5.4
105.04502	2.3
105.07030	34.7
107.04961	16.9
107.08592	88.0
108.05300	4.2
108.08910	3.5
109.02876	21.5
109.06522	22.6
109.10156	10.1
111.04449	3.9
111.08079	18.4
113.05994	3.1
117.07092	3.6
119.04939	4.9
119.06030	1.5
119.08575	18.9
121.06500	35.6
121.10149	10.6
123.04436	15.0
123.08058	5.3
123.11681	8.6
124.04761	1.9
125.05965	17.5
127.03893	25.0
127.07571	9.0
129.07030	3.8
131.04944	1.9
131.08592	8.2
133.06499	5.2
133.10144	14.2
134.13715	1.4
135.04422	7.1
135.08084	9.7
135.11693	35.4
136.11916	1.7
137.05962	8.7
137.09608	2.7
137.13266	3.0
139.03862	2.5
139.07562	13.4
141.05449	2.8
142.07745	1.9
143.03403	3.2
143.07024	19.3
143.08559	6.1
145.04991	3.0
145.06517	1.8
145.10115	8.6
147.04404	2.4
147.08044	4.8
147.11684	31.8
148.04726	1.9
148.11980	2.0
149.05972	5.2
149.09616	3.1
149.13246	4.4
150.06323	1.7
151.03905	3.7
151.07556	3.4
151.11182	5.9
153.01839	29.0
153.03035	3.0
153.09146	2.1
154.02155	9.4
156.09344	2.2
157.06534	2.4
157.08769	3.1
157.10147	10.2
159.06554	4.7
159.07991	2.2
159.11710	5.0
161.05986	2.7
161.09590	4.1
161.13260	7.9
163.04004	1.6
163.07532	1.6
163.11165	2.9
165.05496	2.3
165.09122	4.2
165.12766	14.2
167.07051	2.3
169.08607	2.3
169.12221	13.4
171.08037	1.9
171.10309	2.3
171.11635	11.0
173.09576	2.9
173.13300	4.3
175.11189	19.8
177.05498	21.1
178.05798	6.7
181.10097	2.4
183.11708	2.0
187.05986	6.4
187.07578	2.2
189.12744	18.2
191.10683	3.3
193.12253	24.0
199.11220	14.7
201.09093	1.9
201.12683	1.7
203.10738	2.0
205.07144	4.7
207.06487	2.6
207.13768	10.9
209.11707	2.3
211.13303	21.0
215.10930	1.8
217.12230	46.2
218.12651	1.8
225.12737	1.9
229.14395	10.4
235.13275	65.9
236.13638	2.9
237.11072	2.8
251.12891	1.8
253.14340	82.0
254.14720	3.8
271.15457	11.8
273.11273	3.1
274.11566	2.4
289.16498	5.1
295.15317	1.8
311.09058	3.2
319.15530	2.0
329.10126	2.1
330.10214	1.8
337.16711	2.0
343.15329	1.9
361.16293	2.9
379.17465	11.9
397.18503	18.4
415.19461	9.1
450.16281	4.4
459.30908	2.2
620.26398	6.8
621.20435	2.8
621.34406	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	620.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	2.4
53.03951	16.6
54.66299	1.3
55.01871	8.6
55.05510	27.7
57.03448	8.0
57.07076	4.4
59.05005	2.6
60.04543	1.3
61.02918	1.8
62.73474	1.5
65.03944	6.0
67.05502	97.5
68.05854	1.8
68.92570	1.5
69.03429	44.4
69.03807	2.5
69.07064	23.7
69.63934	1.2
70.55027	1.5
71.01351	1.6
71.04988	9.8
73.02927	2.3
77.03935	3.1
79.05491	81.5
80.05008	3.2
80.05803	1.9
81.03418	77.6
81.07053	100.0
82.03741	2.8
82.07398	2.7
83.04972	12.4
83.08609	15.2
85.02907	23.3
85.06544	5.2
85.10204	1.9
87.04477	2.9
91.05476	62.4
92.05811	2.5
93.07044	89.5
94.07393	2.9
95.04964	15.7
95.08603	68.5
96.08936	2.1
97.02894	36.7
97.03497	2.6
97.06530	6.5
97.10187	4.9
98.22593	2.6
99.04466	8.5
99.08115	2.8
99.81540	1.7
102.13689	1.2
103.03928	3.6
103.05467	7.4
103.74921	1.4
105.04531	3.2
105.07025	46.0
107.04952	10.5
107.08590	45.3
108.04475	24.3
109.02875	24.1
109.06520	8.3
109.10145	31.7
111.04446	10.4
111.08103	4.4
115.03937	3.5
115.05451	3.4
117.07011	22.6
119.08578	39.9
120.08934	1.5
121.06516	23.6
121.10143	42.6
121.10999	2.8
123.04449	4.0
123.08044	6.8
123.11710	15.3
125.02334	3.4
125.09630	3.5
126.05497	8.2
126.12818	1.3
127.03911	17.4
128.06227	4.5
129.05479	4.5
129.06990	13.8
131.04965	2.8
131.08565	39.0
132.08943	1.5
133.06511	6.3
133.10130	27.4
135.04437	1.7
135.08087	8.3
135.11674	28.0
137.05901	1.6
137.09637	3.3
137.13249	3.6
139.07518	1.8
139.11244	2.9
140.04669	22.0
140.05675	2.0
141.07004	3.3
143.08551	12.8
144.06624	1.8
144.59344	1.3
145.04977	6.5
145.06502	3.2
145.10109	28.5
147.04427	2.5
147.08060	6.3
147.11674	21.9
147.12746	2.0
149.05974	17.3
149.09602	5.4
149.13277	14.6
151.07585	2.6
151.11163	3.4
153.05498	9.4
153.09126	3.0
154.07732	1.8
155.08557	5.9
157.06454	2.9
157.10152	9.9
159.08005	4.2
159.11688	26.0
161.06067	2.0
161.09657	5.2
161.13234	13.7
163.07538	2.5
163.11197	3.2
163.14861	8.2
165.06960	2.3
165.09099	2.1
167.08540	3.2
167.10831	1.7
169.08810	1.4
169.10155	5.3
171.08037	3.2
171.11656	11.5
173.13243	21.3
175.11176	5.2
175.14775	6.6
177.12746	4.2
177.16383	2.7
181.08607	59.2
181.10072	3.6
182.08914	2.4
183.11711	6.3
185.09659	3.4
185.13188	7.8
187.11147	3.5
187.14818	10.6
189.09155	1.5
189.12799	4.1
189.16359	1.8
191.10667	1.6
191.14320	2.4
195.11694	3.7
197.13272	4.5
199.11119	2.8
199.14803	5.2
201.12801	3.3
201.16402	2.9
203.10623	2.0
203.14371	2.2
207.13766	1.9
209.13316	3.2
209.15242	1.9
211.14871	2.9
213.12764	4.3
213.16408	3.2
215.17709	1.5
217.16077	2.0
227.14287	3.2
227.17719	1.5
235.13310	4.6
239.14316	2.8
241.19452	3.5
243.21071	6.9
249.14882	2.3
253.14250	2.6
259.18271	1.5
259.20547	9.5
261.22137	29.6
262.22552	2.1
271.16730	1.4
271.20602	2.2
273.22137	4.2
275.16330	1.9
275.20013	2.9
275.23676	3.0
277.14432	2.7
277.21671	8.1
278.22168	1.7
279.23251	4.0
285.18402	1.8
285.22055	2.7
287.16568	1.4
287.20309	1.5
289.21481	6.7
291.23154	6.5
299.20135	2.0
301.21707	4.2
303.23154	11.5
309.22122	2.7
313.21689	2.6
313.25113	1.7
315.19626	2.4
315.23215	8.7
319.22739	3.7
323.23639	2.4
327.23096	3.7
341.24539	8.0
345.24225	4.2
351.23254	6.6
359.25836	2.2
361.24094	1.5
369.24225	22.2
370.24454	1.9
386.26862	3.2
387.25250	19.8
405.26413	18.0
406.26709	2.7
423.27460	3.3
505.38779	3.7
536.98450	1.5
585.86804	1.6
620.32526	10.3
620.41821	2.4
621.33801	2.5
621.43335	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	620.4515
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71778	6.1
50.93052	5.9
53.03942	12.9
55.01883	15.3
55.05515	37.0
57.03465	7.5
57.07059	12.4
59.63549	5.6
61.83394	6.9
64.55486	6.5
67.05489	52.4
69.07066	27.9
71.04980	6.9
71.08620	8.0
71.31832	6.4
71.34023	6.1
71.59489	6.1
75.43744	5.4
79.05495	57.9
81.03438	12.9
81.07055	89.7
83.08624	20.5
91.05486	53.3
93.07037	41.8
95.04967	31.3
95.08596	48.4
97.06541	12.9
97.10169	14.3
98.52792	6.6
102.78095	5.8
105.07046	56.0
107.04964	19.7
107.08589	26.2
109.06530	22.4
109.10149	19.0
111.04446	8.0
111.08060	10.9
117.07012	16.7
119.08585	38.0
121.06527	10.0
121.10140	20.3
123.08040	13.7
123.11703	9.6
125.09623	9.6
129.07027	10.3
131.08563	24.5
133.10135	26.7
135.08032	8.7
135.11671	15.4
137.09636	8.1
143.08612	7.3
145.10132	25.2
147.08052	7.7
147.11690	22.6
149.09621	19.9
149.13306	8.0
157.10155	9.2
159.11703	17.7
161.13324	7.0
163.11195	19.2
165.12816	10.8
173.09654	6.3
179.14328	13.7
186.78549	5.7
187.11139	10.2
193.12282	6.8
257.19034	12.1
275.20041	100.0
277.21725	9.6
293.21082	42.2
337.99579	6.9
351.84283	6.3
383.18390	11.5
384.18555	14.9
438.23297	7.5
505.38687	15.4
522.38403	7.0
571.74390	8.0
620.32184	22.3
620.42139	15.8
621.37225	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	621.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13314	0.5
51.02390	1.0
53.03937	1.6
55.01875	0.9
55.05501	2.2
57.03438	0.7
57.45483	0.5
59.89058	0.6
61.71698	0.5
67.05501	3.4
69.03429	2.6
69.07074	1.6
69.16449	0.5
69.74451	2.0
69.74852	1.0
79.01846	4.4
79.05495	6.5
81.03425	6.3
81.07053	84.0
82.07389	1.9
83.04990	3.5
85.02888	1.5
91.05483	2.0
93.07040	10.2
95.04948	1.3
95.08604	8.8
97.02878	2.7
98.22534	0.8
99.04429	0.9
105.04491	0.5
105.07041	3.5
106.07310	0.6
107.01343	1.0
107.04989	0.9
107.08575	1.7
108.84133	0.6
109.02866	4.0
109.06512	0.6
109.10146	1.6
111.04453	3.0
111.95209	0.5
119.08562	1.8
121.06500	1.1
121.10123	1.8
123.08048	1.0
125.02306	3.1
127.03900	3.3
128.06282	0.5
129.07014	0.8
131.08566	0.9
133.06430	0.6
133.10114	1.4
135.11685	3.1
137.06041	0.9
137.13249	27.8
138.13571	1.2
143.03395	4.6
143.08580	1.1
145.10129	1.9
147.08026	0.7
147.11682	2.0
149.13309	0.6
151.07527	0.6
153.01823	100.0
153.02896	5.3
154.02150	3.8
157.10114	1.3
159.11674	1.0
163.11197	1.8
165.12657	0.9
171.02864	3.5
177.12770	1.4
181.12222	1.0
185.09607	0.5
185.13278	0.8
187.11101	0.6
203.14340	1.0
203.16101	0.5
208.86026	0.5
217.15848	1.2
227.14261	2.1
245.15347	6.4
263.16437	5.0
279.05093	0.9
297.06036	7.2
299.18665	0.6
315.07080	1.8
415.17288	1.0
433.18564	7.5
451.19312	1.9
467.08209	4.8
554.00946	0.6
603.20728	4.6
621.31421	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	621.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01577	0.5
53.03930	1.4
55.01855	0.6
55.05509	1.3
57.07059	0.4
60.68412	0.3
64.07163	0.4
65.03903	0.5
67.05499	3.3
69.07065	1.9
69.51577	1.9
69.51982	0.8
71.04998	0.5
75.98483	0.4
79.01854	4.1
79.05483	5.8
81.03422	5.8
81.07053	84.1
82.07394	2.1
82.27385	0.4
83.04974	3.4
85.02900	1.4
91.05479	2.6
93.07037	6.6
95.04974	1.6
95.08604	9.6
95.48588	0.4
97.02890	2.2
97.10171	0.9
98.22736	0.7
99.04462	0.4
103.05444	0.5
105.07030	2.7
107.01300	1.5
107.04937	0.6
107.08579	2.9
109.02864	3.1
109.06506	0.7
109.10172	1.9
111.04423	2.3
111.08185	0.5
117.07015	0.9
119.08595	1.6
121.06514	0.9
121.10135	1.5
123.04449	0.6
123.08085	0.5
123.11678	0.6
125.02355	2.7
127.03907	3.2
129.05518	0.6
129.06996	0.8
131.08598	1.2
133.06528	0.4
133.10114	1.1
135.08070	0.7
135.11723	2.8
136.32448	0.4
137.05960	1.0
137.13246	25.4
138.13603	1.0
142.07758	0.6
143.03398	4.4
143.08571	1.0
145.06378	0.4
145.10138	0.9
147.04408	0.4
147.08034	0.6
147.11647	0.8
149.13283	0.7
153.01820	100.0
153.02863	5.3
154.02159	3.2
157.10208	1.0
159.08078	0.6
159.11662	0.6
159.26147	0.4
163.11214	1.2
165.12791	0.6
171.02882	3.0
177.12839	0.7
181.12155	0.6
185.09641	0.5
185.13239	0.6
187.11166	0.6
187.95776	0.4
195.13878	0.5
203.14307	0.6
213.99034	0.4
217.15973	0.9
227.14328	1.5
245.15381	4.2
263.16449	2.5
279.05075	1.1
281.17560	0.6
294.40103	0.4
297.06009	5.7
315.06924	2.0
411.16263	0.6
413.84909	0.4
415.17578	0.5
433.18536	3.7
447.26700	0.4
449.07523	0.8
451.19693	1.3
467.08237	4.7
477.27679	0.5
555.33130	0.5
559.32294	2.8
561.30823	0.5
585.19775	0.5
603.20581	1.4
603.30341	0.4
610.23260	0.5
621.32495	31.5
622.32697	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	621.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.18162	0.2
67.05490	0.3
69.07071	0.3
79.05489	0.3
81.07045	0.3
91.05471	0.4
93.07031	0.3
95.08591	0.2
97.06491	0.2
105.07025	0.4
107.08601	0.2
121.70139	0.2
147.04482	0.2
147.08067	0.2
149.02390	0.2
163.03922	0.7
167.07100	0.3
189.05159	0.9
201.05196	0.3
203.06758	0.8
204.03908	1.5
205.04607	0.4
208.54066	0.2
213.08868	1.2
216.07588	0.7
217.08421	0.4
229.08328	1.2
244.10727	0.4
245.11438	0.3
273.10977	0.5
304.06268	0.2
393.12976	0.2
411.14005	1.5
412.14951	0.4
425.15872	0.3
426.16434	3.0
427.17038	0.7
464.92767	0.2
530.96960	0.2
606.24170	0.4
621.26587	100.0
622.26898	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	621.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97503	0.7
55.05501	1.9
67.05484	3.5
69.07056	2.0
69.48157	2.3
69.48582	3.2
77.47327	0.8
79.05474	2.9
81.07058	4.8
82.92484	0.9
83.08611	1.8
83.33222	0.8
84.18684	0.7
91.05473	2.1
93.07040	3.5
95.08601	5.3
105.07014	1.9
107.04920	1.0
107.08610	3.8
107.92886	0.7
109.10157	3.2
113.89082	0.8
117.03407	1.1
119.08597	2.3
121.10157	2.5
123.08051	1.1
128.49448	1.0
131.08583	1.9
133.10103	2.2
135.11681	1.9
145.02829	1.2
145.10117	1.4
147.04404	1.9
147.08096	1.0
147.11678	1.7
149.13232	0.9
159.11694	1.5
163.03879	6.0
164.04279	1.2
169.04977	1.0
173.13353	1.1
176.04408	1.1
189.05219	14.1
189.16418	1.6
190.05580	0.9
191.17975	1.6
200.28616	0.9
201.05278	3.6
202.06007	6.2
203.06798	1.7
205.04716	9.8
216.07552	20.1
216.09479	1.2
217.08351	13.5
218.08966	1.0
227.17900	1.0
229.08405	2.7
258.23117	1.3
285.03461	1.0
410.16821	6.1
411.17719	2.1
413.15692	6.8
423.32181	1.0
427.17126	14.3
428.17816	2.9
502.98117	0.9
590.24554	1.2
591.25470	2.7
621.26630	100.0
621.37067	10.2
622.27087	9.9
622.36676	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2704
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
55.05511	0.4
69.25171	1.1
78.66611	0.2
81.07056	0.3
83.04950	0.3
98.22603	0.5
112.43059	0.2
133.10164	0.3
145.07756	0.2
194.04698	0.2
207.09236	0.3
209.10629	0.3
220.09869	0.2
221.10699	0.4
223.12213	0.3
237.10115	0.2
246.63753	0.2
249.10199	0.2
251.12033	0.2
284.11935	0.4
299.14041	0.2
300.11057	0.2
300.14774	0.3
310.13449	0.4
311.14120	0.3
338.16516	0.3
373.14682	0.5
374.15387	0.7
375.15970	1.3
376.17291	0.2
386.16269	0.3
387.16321	0.8
388.16739	1.4
389.17587	3.7
390.18311	1.8
391.19052	1.2
392.20206	0.3
400.17139	0.2
401.17834	1.1
402.14151	0.5
402.18979	1.5
403.19370	6.0
404.15720	0.2
404.20001	2.9
405.16647	0.3
405.20834	2.7
406.20969	0.3
415.15088	0.6
415.19360	0.8
416.16235	1.4
416.20245	0.9
417.16168	5.0
417.21161	2.6
418.17484	1.0
418.21518	1.6
419.22403	8.6
420.22742	1.4
429.16412	0.3
429.21307	0.5
430.17056	1.5
431.18076	7.9
432.18954	3.6
433.20007	3.2
441.16324	0.3
443.18661	0.7
444.19391	0.7
445.20068	6.6
446.20984	8.3
447.21713	11.2
448.22690	1.6
457.20218	0.2
458.20883	0.3
459.17255	1.0
459.21869	2.4
460.18265	0.7
460.22797	0.7
461.19534	1.7
462.20206	0.4
463.21024	0.5
473.19351	1.0
473.23767	1.1
474.20328	7.5
475.21243	8.6
476.21927	1.0
477.23410	0.5
478.23831	0.3
479.24136	0.3
486.20697	0.3
487.21350	3.3
488.21863	1.2
489.22870	0.3
491.19885	1.6
501.23007	2.0
502.23450	0.6
503.20084	0.4
504.21515	0.3
505.25681	1.4
506.23254	0.5
518.23169	0.7
519.20813	0.9
529.22516	0.5
533.25452	15.3
534.25763	2.2
546.22211	0.5
561.24939	22.6
562.25281	2.6
565.27625	0.4
589.24182	1.2
593.27606	4.3
594.27740	0.5
621.26990	100.0
622.27344	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	621.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	1.8
66.86914	1.5
67.05505	4.1
69.33347	6.9
69.33752	4.0
71.21496	1.4
81.07060	4.8
93.07076	1.8
95.08607	3.5
121.10165	2.3
129.27608	1.6
133.10168	1.8
141.62848	1.7
162.90773	2.2
163.03928	2.1
295.26794	1.7
387.16492	1.8
389.17654	4.4
390.18341	2.5
402.18604	2.1
403.19296	7.0
404.19836	3.9
405.20752	3.0
416.15970	2.2
417.16492	4.5
417.20801	6.3
419.22357	14.1
431.17963	8.8
432.19345	4.4
445.20450	11.0
446.21063	8.1
447.21652	19.3
448.21997	2.3
459.22168	4.4
460.23004	2.1
473.19153	1.8
474.20398	15.5
475.21121	22.8
476.21320	2.2
487.21384	7.1
501.23218	2.9
505.25980	2.7
531.35797	2.7
533.25592	14.3
534.26355	2.8
561.24927	99.1
562.25549	14.3
593.27814	4.0
621.27039	100.0
621.42865	4.5
622.27490	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	621.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	0.4
71.32391	0.6
71.92937	0.4
79.05495	0.4
81.07053	5.1
85.66268	0.4
91.05471	0.7
93.06491	0.4
93.07047	1.0
95.08604	1.0
105.07050	0.7
118.99369	0.4
123.04497	0.4
137.05995	0.6
137.13268	1.8
153.01794	5.2
167.07095	0.4
191.03143	0.6
194.12801	0.5
293.17239	1.7
421.22009	0.8
437.21603	2.0
467.08005	0.5
472.25031	0.4
621.20313	3.9
621.28766	100.0
622.20026	1.0
622.29108	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	621.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
55.05499	0.6
57.07065	0.8
61.89521	0.3
65.03951	0.5
67.05504	1.2
69.07054	0.7
71.30638	0.3
79.05493	1.5
81.03407	1.6
81.07046	1.4
91.05476	0.7
93.07034	0.8
95.04885	0.7
95.08614	1.1
105.07007	0.7
107.08590	0.7
109.10124	0.7
119.08585	0.7
121.02863	3.9
121.10114	0.7
133.06458	3.0
133.10121	0.7
135.04407	2.4
135.08022	0.4
137.09602	0.4
147.11562	0.4
149.02328	2.5
159.11652	0.4
167.03418	0.5
169.04935	0.4
179.03384	8.2
197.04475	2.9
225.09113	0.6
238.06148	0.6
253.08531	0.6
266.05652	1.8
268.07230	1.9
281.08090	15.3
282.08301	1.0
283.09686	0.6
296.06760	2.2
299.09158	2.3
311.09116	100.0
312.09470	7.1
377.13641	0.6
385.16681	0.5
415.15369	0.4
431.19244	0.6
446.21008	0.5
519.23456	0.6
523.39679	0.7
531.36188	0.8
533.24866	0.6
553.25592	0.6
561.25415	1.3
571.27271	2.5
572.26752	0.5
589.27948	10.4
590.27875	1.8
603.29401	1.3
621.28381	5.6
621.41992	1.9
622.28815	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43429	0.4
55.05507	3.3
56.05030	1.2
57.07067	0.5
58.06598	26.8
64.43065	0.5
67.05493	2.0
69.07049	1.4
69.36553	2.9
72.08150	8.6
73.06544	1.7
74.06070	0.5
79.05484	2.3
81.07048	2.8
82.21206	0.4
83.04980	6.3
83.08616	1.1
86.06059	4.5
88.51957	0.4
89.03912	0.7
90.53488	0.5
91.05463	4.7
92.05788	0.7
93.04810	0.4
93.07040	3.6
94.07364	0.6
95.08614	4.5
97.06499	0.5
97.10168	0.6
100.07616	5.2
101.06009	2.9
104.07098	1.3
105.07012	4.8
106.07388	0.7
107.04924	0.9
107.08588	3.6
109.10136	3.2
110.10484	0.8
114.05522	2.0
117.07018	1.1
118.06522	0.7
119.04920	1.7
119.07304	5.0
119.08566	2.7
119.94595	0.5
120.05270	0.5
120.08132	2.8
120.08862	0.6
121.10150	3.2
122.10540	0.6
123.11707	0.8
124.07568	0.5
125.09586	0.6
128.07062	2.8
130.06529	0.7
131.08540	1.0
132.08063	1.1
133.10121	2.2
134.09644	100.0
135.04384	1.3
135.09999	3.2
135.11674	1.8
135.94398	0.5
143.08549	1.1
145.02838	1.0
145.10135	2.0
147.04414	5.2
147.11690	1.6
148.04781	2.4
149.13254	1.5
157.10086	0.7
159.11644	1.1
160.12073	0.5
161.13248	1.2
163.03894	5.9
163.14813	1.0
164.04205	0.5
165.05515	0.6
171.11665	0.7
172.13319	4.0
173.13249	0.9
174.12793	1.6
175.14828	1.2
177.16534	0.6
182.81937	0.5
186.11287	2.6
187.14838	0.6
189.16440	1.2
191.17885	0.8
199.14687	0.6
200.12709	0.6
201.16417	1.1
202.16620	0.5
203.18015	1.2
204.18311	0.7
208.68958	0.5
210.11209	3.2
216.10249	0.9
216.13774	0.9
217.15735	0.5
243.14899	0.6
244.13324	11.6
244.15788	0.6
251.13918	0.8
257.18594	8.0
281.16455	5.4
282.16800	0.7
285.18082	4.3
289.15427	3.2
309.15967	5.8
310.16138	0.7
329.52585	0.5
343.20059	3.5
344.20181	0.5
347.19687	0.7
359.90900	0.5
361.20920	2.5
363.17032	1.6
371.19696	2.1
389.20749	3.6
394.21262	2.0
404.25476	1.3
412.22198	1.9
423.32550	0.5
432.24918	1.2
436.22421	0.5
446.26529	4.7
464.54865	0.5
469.32233	0.5
474.25815	0.6
490.27136	1.1
494.26395	2.1
518.26337	1.5
521.27576	1.4
536.27686	0.7
565.33966	2.5
593.33221	4.1
621.39227	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3791
Annotation	Coccinone C
Peak:m/z	Relative Intensity
51.02390	0.4
53.03936	0.7
55.05508	5.6
57.07072	2.5
61.61958	0.3
65.03935	1.6
67.05161	0.5
67.05502	7.4
67.90743	0.3
69.03424	1.0
69.07064	6.6
70.57293	1.0
71.05002	0.5
71.08607	0.4
73.06551	0.4
76.70157	0.4
79.05489	5.0
81.03410	0.6
81.07053	14.3
81.67581	0.3
83.04982	0.6
83.08614	6.1
85.02928	0.8
85.06538	3.4
91.05479	15.6
92.05799	0.4
93.07040	13.1
95.04964	1.5
95.08603	25.3
96.08936	0.8
97.10165	1.5
99.08116	0.5
103.05486	0.5
105.07027	11.0
106.07304	0.4
107.08590	18.7
108.08902	0.6
109.06511	0.8
109.10152	10.9
111.08085	0.5
111.11712	0.5
117.07008	1.5
119.04939	26.5
119.08569	12.2
120.05283	0.8
120.08964	0.4
121.06490	0.9
121.10136	16.7
122.10461	0.7
123.04448	1.9
123.08071	0.6
123.11712	6.1
129.06993	1.3
131.08562	5.5
133.06490	0.6
133.10126	10.2
135.08095	0.8
135.11685	14.0
136.11980	0.6
137.05974	0.5
137.09604	0.4
137.13242	8.5
139.07579	0.6
139.11131	0.5
143.08583	3.4
145.10112	6.0
146.10683	0.4
147.04401	100.0
147.11678	8.9
148.04706	2.8
149.05957	0.6
149.09633	0.7
149.13251	14.7
150.13680	0.5
151.07544	0.5
151.14810	1.9
155.08510	0.7
157.10132	3.3
158.10715	0.5
159.11685	5.4
160.12112	0.5
161.09615	0.5
161.13258	6.7
163.07446	0.5
163.11180	0.9
163.14818	2.6
165.05472	21.0
165.12726	0.6
165.16425	0.4
166.05850	0.7
167.10727	0.5
169.10117	1.5
171.11676	4.4
173.09676	0.7
173.13249	6.9
175.11137	0.8
175.14844	3.3
177.12796	2.3
177.16371	13.8
178.16724	0.7
179.17873	0.4
181.10106	0.7
183.11670	2.3
185.13258	5.6
187.11101	0.5
187.14819	5.1
189.09097	0.6
189.12726	2.2
189.16380	5.7
191.14322	1.4
191.17938	4.5
195.11679	1.1
197.13229	2.3
199.14796	4.0
201.12733	1.2
201.16391	3.4
203.14479	0.9
203.17944	9.2
204.18333	0.5
205.15887	2.2
205.19571	1.0
207.17421	0.7
209.13231	0.8
211.14749	0.9
213.12753	1.0
213.16379	1.1
215.14307	4.4
215.17967	1.5
217.15929	1.1
217.19431	2.3
219.13849	0.8
219.17436	0.6
223.13072	2.5
223.15167	0.9
225.16342	2.2
227.14226	0.9
227.17957	1.2
229.15862	0.6
229.19374	0.5
231.13797	0.6
233.15453	1.0
235.13173	0.7
237.16580	0.5
239.17995	0.8
241.15869	0.8
243.13791	1.0
243.17384	2.6
245.15378	0.9
245.86136	0.4
255.17474	1.1
257.18967	1.0
261.14865	2.7
263.16251	0.5
267.21112	0.7
269.19083	1.1
271.16928	1.5
285.18564	0.5
287.16397	0.4
289.17935	2.7
293.22528	0.7
297.18329	0.4
297.24402	0.5
298.24637	0.6
299.23969	0.5
311.23929	0.4
315.19540	1.5
327.23486	0.5
329.20697	0.5
337.25320	0.5
343.22708	0.5
345.24298	0.8
349.28912	0.5
357.24289	0.8
367.30087	1.8
375.30444	1.8
388.25525	0.5
393.31451	6.1
394.31876	0.4
395.29297	2.1
411.32568	3.8
413.30414	2.3
421.30981	4.3
439.32071	14.7
440.32382	1.8
457.16779	0.4
457.33151	4.2
458.33344	0.7
621.25549	0.5
621.36115	3.1
622.22552	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	6.1
56.80792	2.0
65.03934	2.3
67.05499	10.0
69.07068	7.5
69.15855	18.2
79.05489	7.8
81.07050	15.3
83.08629	6.7
83.12943	1.9
83.39002	2.0
85.06553	4.0
87.96796	2.1
91.05473	22.3
93.07052	15.0
95.08605	25.4
97.10175	2.9
97.63438	1.8
98.23364	4.0
105.07042	8.3
107.08602	22.0
109.10164	10.2
115.05491	2.8
117.07037	2.3
119.04942	30.0
119.08598	11.6
121.10149	20.4
123.04487	4.3
123.08066	2.1
123.11710	6.4
129.07054	2.3
131.08597	5.2
133.10164	11.6
133.11020	2.0
135.04436	2.3
135.08066	2.7
135.11679	13.3
137.05951	4.2
137.13281	4.8
139.07626	2.2
143.08583	3.0
145.10121	8.5
147.04402	100.0
147.11667	9.7
149.13242	12.6
157.10156	3.0
159.11661	4.8
161.05997	2.5
161.13292	5.0
163.07545	2.4
163.14780	2.7
165.05479	15.8
169.10039	2.4
171.11711	4.6
173.13274	7.5
175.14922	3.1
177.12779	2.1
177.16368	14.2
185.13274	4.2
187.14851	5.1
189.16309	4.6
191.17946	4.2
203.18002	5.8
205.15907	5.2
215.14325	5.8
215.17998	2.9
227.17987	2.2
241.15996	2.8
261.14706	3.5
309.11285	2.1
393.31525	8.1
393.35864	2.1
395.29288	2.8
411.32571	8.4
413.30508	2.5
421.31161	3.5
432.31653	2.6
439.32147	14.0
440.31937	2.9
457.16498	11.7
457.33218	6.8
586.44800	2.2
621.25562	7.1
621.36469	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	621.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65350	1.7
53.03935	3.4
55.01874	3.2
55.05513	10.9
57.07077	2.4
65.03947	3.0
66.19263	1.4
67.05500	21.0
69.03421	2.4
69.07064	11.8
71.01398	1.3
71.05002	3.2
71.31708	1.9
79.05491	13.7
81.03417	6.9
81.07050	31.1
83.04983	4.5
83.08611	8.9
85.02906	1.9
85.06535	10.4
89.03917	2.9
91.05474	24.0
93.07044	25.3
95.04995	8.8
95.08601	39.1
97.06524	2.5
100.20407	1.6
103.05479	5.0
105.07025	25.5
107.04948	100.0
107.08598	33.8
108.05374	1.7
109.06535	4.4
109.10157	24.0
111.04443	2.5
111.08089	4.3
113.09630	2.0
115.05475	3.7
117.03373	3.3
117.07028	6.1
119.04946	14.7
119.08587	30.3
121.06519	6.4
121.10130	31.1
123.04446	4.2
123.08045	3.7
123.11705	9.7
125.09629	8.6
129.07011	6.6
131.08556	19.4
133.06520	3.1
133.10121	37.1
135.04419	3.9
135.08034	3.9
135.11682	19.7
137.05963	7.0
137.09654	3.0
137.13289	5.5
141.06979	3.0
142.07924	2.1
143.08557	7.0
145.02846	2.6
145.10123	22.7
147.04396	57.0
147.11688	20.5
149.05995	5.8
149.09633	9.4
149.13263	16.3
151.03889	2.9
151.07513	4.6
151.11171	3.6
151.14836	2.4
153.12598	2.4
155.08562	3.2
157.10118	12.8
159.08086	2.6
159.11690	23.2
161.05978	7.1
161.09605	3.9
161.13271	14.9
163.03900	19.5
163.07603	2.1
163.11186	3.7
163.14830	9.7
165.05487	10.3
165.09041	1.7
165.12729	1.9
169.10118	4.7
171.11691	10.2
173.09497	2.0
173.13245	19.0
175.07613	2.0
175.11217	3.1
175.14830	20.3
177.12753	6.9
177.16368	14.0
183.11714	6.4
185.13229	15.6
187.14812	18.1
187.55252	1.6
189.09178	2.9
189.11203	2.2
189.12737	7.8
189.16338	7.5
191.14316	4.2
191.18047	2.7
193.15892	5.9
195.13901	2.8
197.13205	7.9
199.14812	8.7
201.16331	12.0
203.10835	1.9
203.14326	5.4
203.17961	9.3
205.12393	2.4
205.15875	18.6
211.14828	2.8
213.12782	2.5
213.16435	3.3
215.14319	12.1
215.18005	5.9
216.14844	1.9
217.15875	7.3
217.19630	2.4
219.13884	2.4
219.17445	7.4
223.13214	11.8
225.16388	4.9
227.10696	1.9
227.18051	2.0
231.17398	2.3
233.15379	2.8
239.17992	2.0
243.17534	1.7
253.19418	2.4
257.19092	3.9
261.14920	3.3
271.65277	1.8
285.11310	3.8
297.11078	2.2
311.12897	1.7
311.20071	2.1
357.24066	1.9
367.29932	5.1
391.30035	16.0
393.31332	4.0
395.29306	6.0
409.31021	35.8
410.31445	4.0
413.30353	3.7
419.29773	1.8
437.30530	21.5
438.30878	2.8
439.31946	4.6
443.34177	1.7
455.31546	13.9
457.16309	3.0
457.33127	2.5
621.23859	5.5
621.33856	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	621.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65350	1.7
53.03935	3.4
55.01874	3.2
55.05513	10.9
57.07077	2.4
65.03947	3.0
66.19263	1.4
67.05500	21.0
69.03421	2.4
69.07064	11.8
71.01398	1.3
71.05002	3.2
71.31708	1.9
79.05491	13.7
81.03417	6.9
81.07050	31.1
83.04983	4.5
83.08611	8.9
85.02906	1.9
85.06535	10.4
89.03917	2.9
91.05474	24.0
93.07044	25.3
95.04995	8.8
95.08601	39.1
97.06524	2.5
100.20407	1.6
103.05479	5.0
105.07025	25.5
107.04948	100.0
107.08598	33.8
108.05374	1.7
109.06535	4.4
109.10157	24.0
111.04443	2.5
111.08089	4.3
113.09630	2.0
115.05475	3.7
117.03373	3.3
117.07028	6.1
119.04946	14.7
119.08587	30.3
121.06519	6.4
121.10130	31.1
123.04446	4.2
123.08045	3.7
123.11705	9.7
125.09629	8.6
129.07011	6.6
131.08556	19.4
133.06520	3.1
133.10121	37.1
135.04419	3.9
135.08034	3.9
135.11682	19.7
137.05963	7.0
137.09654	3.0
137.13289	5.5
141.06979	3.0
142.07924	2.1
143.08557	7.0
145.02846	2.6
145.10123	22.7
147.04396	57.0
147.11688	20.5
149.05995	5.8
149.09633	9.4
149.13263	16.3
151.03889	2.9
151.07513	4.6
151.11171	3.6
151.14836	2.4
153.12598	2.4
155.08562	3.2
157.10118	12.8
159.08086	2.6
159.11690	23.2
161.05978	7.1
161.09605	3.9
161.13271	14.9
163.03900	19.5
163.07603	2.1
163.11186	3.7
163.14830	9.7
165.05487	10.3
165.09041	1.7
165.12729	1.9
169.10118	4.7
171.11691	10.2
173.09497	2.0
173.13245	19.0
175.07613	2.0
175.11217	3.1
175.14830	20.3
177.12753	6.9
177.16368	14.0
183.11714	6.4
185.13229	15.6
187.14812	18.1
187.55252	1.6
189.09178	2.9
189.11203	2.2
189.12737	7.8
189.16338	7.5
191.14316	4.2
191.18047	2.7
193.15892	5.9
195.13901	2.8
197.13205	7.9
199.14812	8.7
201.16331	12.0
203.10835	1.9
203.14326	5.4
203.17961	9.3
205.12393	2.4
205.15875	18.6
211.14828	2.8
213.12782	2.5
213.16435	3.3
215.14319	12.1
215.18005	5.9
216.14844	1.9
217.15875	7.3
217.19630	2.4
219.13884	2.4
219.17445	7.4
223.13214	11.8
225.16388	4.9
227.10696	1.9
227.18051	2.0
231.17398	2.3
233.15379	2.8
239.17992	2.0
243.17534	1.7
253.19418	2.4
257.19092	3.9
261.14920	3.3
271.65277	1.8
285.11310	3.8
297.11078	2.2
311.12897	1.7
311.20071	2.1
357.24066	1.9
367.29932	5.1
391.30035	16.0
393.31332	4.0
395.29306	6.0
409.31021	35.8
410.31445	4.0
413.30353	3.7
419.29773	1.8
437.30530	21.5
438.30878	2.8
439.31946	4.6
443.34177	1.7
455.31546	13.9
457.16309	3.0
457.33127	2.5
621.23859	5.5
621.33856	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	622.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64753	0.4
55.01864	0.6
65.03941	3.4
68.99782	0.7
69.03428	0.8
71.22758	0.4
71.34315	0.5
72.35582	0.4
79.01840	1.3
80.98235	0.4
81.03409	2.1
89.25626	0.4
91.05448	0.7
97.02886	1.2
105.07032	0.5
107.01366	0.5
107.04956	0.5
109.02867	3.2
111.04441	2.0
119.08595	0.6
121.02861	100.0
122.03172	2.7
123.04419	1.2
125.02345	0.9
127.03925	1.8
131.04851	0.6
137.02319	0.8
137.05959	1.7
139.03909	1.6
143.03409	1.1
147.04381	0.7
151.03854	0.5
153.01828	31.0
153.02885	1.1
154.02222	1.4
161.05965	1.2
163.07520	0.8
167.07013	0.6
171.02873	1.7
189.05287	1.5
189.09175	0.6
207.10165	1.0
221.89951	0.5
247.06035	1.1
253.04874	0.5
265.07092	1.6
297.06067	1.9
329.13943	0.7
341.03265	0.5
435.09189	1.6
605.14514	0.9
622.21826	6.1
623.14313	0.7
623.23584	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	622.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
55.01865	1.6
55.05515	3.9
56.57514	0.6
57.03439	9.9
59.04996	2.2
60.04515	1.1
61.02917	1.5
65.03947	1.4
67.05506	2.8
69.03431	31.7
69.07062	2.3
71.01362	0.8
71.04986	1.2
73.02910	3.4
75.04466	0.6
79.05513	2.5
81.03423	4.4
81.07056	4.1
83.04991	3.2
83.08627	0.6
85.02406	1.2
85.02911	22.3
86.09697	1.5
86.24725	0.5
87.04472	18.6
91.05489	10.9
93.07052	4.2
94.04195	1.0
95.04972	2.9
95.08621	4.3
97.02895	22.5
97.06532	1.2
97.10142	1.6
98.03214	0.6
98.67706	0.5
99.04482	0.8
102.39397	0.5
103.05468	9.6
105.03389	0.6
105.07060	3.7
107.04953	2.3
107.08585	3.4
109.02898	2.6
109.06498	2.6
109.10154	1.7
109.30619	0.5
110.87804	0.6
111.04459	1.4
111.08108	0.7
115.03936	23.5
115.05439	7.7
117.07014	1.0
119.04961	6.8
119.08591	1.7
121.06487	1.2
121.10143	1.9
122.03647	2.3
123.04419	5.9
123.08072	0.6
123.11717	1.4
125.00036	0.7
125.05962	0.8
127.03896	3.8
128.06143	0.6
129.07010	1.9
131.04939	8.7
131.08589	4.3
133.04973	24.1
133.06514	1.9
133.10155	1.3
135.08046	1.9
135.11703	1.2
136.05219	0.5
136.11957	0.6
137.05978	24.9
139.11246	1.0
141.06996	10.6
143.04938	1.1
144.05669	1.9
145.04935	2.6
145.06483	2.2
145.10092	1.6
147.04410	19.2
147.08115	0.7
147.11674	1.1
148.05174	2.7
149.05965	2.8
149.13329	0.9
150.07581	3.7
151.03917	2.2
151.07545	8.4
153.01831	0.7
153.05487	0.6
157.06496	1.2
159.04446	0.6
159.08028	8.2
159.11652	0.6
161.05989	8.2
162.07674	0.5
163.07512	8.0
163.11169	1.2
164.08322	2.6
164.90828	0.5
165.09117	1.5
167.07004	0.8
169.06474	5.6
173.06027	1.3
175.03856	0.8
175.07542	1.1
175.11134	0.7
177.05566	0.9
184.07387	3.9
185.05963	0.8
187.07549	19.9
188.08089	1.1
189.05484	2.1
190.07759	1.9
190.09425	0.5
193.04948	0.8
201.05438	0.6
201.09151	2.0
203.08582	0.6
205.10138	2.0
207.06409	0.9
215.08667	0.6
218.07281	2.3
219.08012	0.8
230.05803	1.3
231.06396	0.8
233.09648	6.6
235.07568	1.3
235.75327	0.6
241.07036	0.6
243.06500	0.8
247.07715	0.7
250.10075	0.6
251.07170	0.7
251.10674	2.1
258.38004	0.5
261.09433	3.2
263.07224	0.9
264.07852	1.7
265.08691	1.3
265.12296	1.4
274.09555	0.6
277.08984	0.8
278.09360	1.0
279.10132	2.2
281.08023	0.8
293.11713	1.5
296.10397	2.9
311.12766	100.0
312.13043	7.2
321.24146	0.6
323.12891	0.8
329.10101	0.9
425.24991	0.7
461.28989	1.1
622.32043	1.8
623.31482	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1965
Annotation	Kaempferol 7,4'-dimethyl ether 3-neohesperidoside
Peak:m/z	Relative Intensity
55.05473	0.3
56.05417	0.3
57.03436	1.2
59.39311	0.2
69.03389	0.3
69.07010	0.2
70.21089	0.2
71.04992	7.7
71.32571	0.3
73.02873	0.3
75.04440	0.4
83.04943	0.4
85.02901	8.9
91.05442	0.3
95.04941	0.6
97.02825	0.3
105.07004	0.3
107.04929	0.4
111.04378	0.4
119.04818	0.3
121.06477	0.3
123.04344	0.6
127.03916	0.2
129.05487	1.8
135.04449	2.4
137.02257	0.3
137.05927	1.0
149.32613	0.2
151.03882	0.6
151.07423	0.3
153.01793	1.0
153.05484	1.7
165.05397	0.3
165.09065	0.3
167.03391	3.3
167.06987	0.3
175.07445	0.4
177.05365	0.3
179.03380	1.3
189.05243	2.9
201.05368	0.3
205.04730	2.1
215.06934	0.3
216.07610	0.7
217.08372	0.6
227.07019	0.3
233.07805	0.9
243.06528	0.8
244.07274	2.6
250.08112	1.5
255.06522	0.5
259.09656	0.5
263.08978	0.5
271.06125	0.8
272.06760	3.4
283.06015	0.7
286.08408	0.5
299.05493	0.3
299.08911	0.3
300.06262	3.7
301.06866	0.3
315.08597	100.0
316.05261	0.5
316.08936	7.5
367.13507	0.6
379.13556	1.2
381.11514	1.4
395.12958	0.6
396.13782	1.6
461.18307	1.2
477.13916	7.8
477.20868	0.4
478.14081	0.6
623.23041	29.3
624.23535	3.3
626.10352	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28250	0.6
55.05509	0.6
55.86420	0.5
68.50861	0.6
71.34193	0.7
76.46793	0.5
83.08598	0.6
87.19749	0.6
100.11239	1.7
101.46670	0.6
111.04451	0.9
112.07523	0.6
123.47463	0.6
137.05981	1.1
139.03934	0.6
156.14174	0.5
182.15437	1.7
210.14879	2.2
211.60500	0.6
227.02380	1.0
310.39590	0.6
406.58026	0.8
435.13321	1.0
461.15485	1.2
562.40167	0.8
580.40430	3.0
623.20966	100.0
624.21350	13.4
642.76648	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57249	0.3
56.38183	0.3
62.42340	0.3
71.34045	0.5
81.03411	0.3
94.04190	0.4
95.04975	2.4
103.05453	0.4
107.04933	0.7
108.51546	0.3
111.04411	0.3
122.03649	0.4
123.04376	0.5
131.04881	0.4
137.05975	4.3
141.06937	0.8
143.03368	0.3
149.05934	0.4
151.07491	0.8
153.01816	5.7
163.04013	0.3
163.07477	0.6
165.05487	0.6
167.07021	0.6
169.06491	0.5
175.07562	0.7
176.04480	1.3
179.05927	0.3
181.04924	0.4
185.04169	1.0
185.05734	0.4
186.06491	0.3
187.07367	0.3
189.05209	0.8
189.09079	0.3
191.03090	0.4
195.10132	0.4
201.05240	0.4
201.09036	0.6
202.05917	0.4
203.06833	0.4
205.04707	36.5
206.05101	1.1
216.07532	2.7
217.08363	3.4
218.05354	0.4
219.06194	0.3
229.08612	1.0
232.07040	0.4
233.07823	6.4
247.09406	0.5
250.08075	4.1
251.08885	0.4
319.13199	0.3
335.12772	0.4
345.19058	0.3
365.12076	0.7
379.13577	10.5
380.13794	0.5
381.11398	1.9
395.13132	1.7
396.13855	0.6
435.17911	1.4
443.16949	0.6
461.17810	10.0
462.18231	0.9
473.49753	0.3
549.20093	0.3
550.87616	0.3
623.23065	100.0
624.23419	11.4
624.31470	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75609	0.2
57.07781	0.2
64.39490	0.2
71.32213	0.4
77.12393	0.2
79.72099	0.2
107.04956	0.5
117.52048	0.2
118.14966	0.3
123.04432	1.6
137.05972	4.5
138.62840	0.2
138.83882	0.2
139.03886	0.9
143.04883	0.2
147.04393	0.2
153.01820	0.5
161.05983	0.3
163.03943	0.5
165.05453	0.3
167.07039	6.2
167.08498	0.3
176.04434	0.3
185.04222	0.9
189.05209	11.6
190.05704	0.5
197.01274	0.4
202.06030	0.5
203.06866	0.9
205.04704	5.4
205.06471	0.3
206.05289	0.3
216.07570	1.1
217.08340	1.9
218.05542	0.5
219.06363	0.7
232.07126	0.3
233.07834	1.7
234.08615	3.6
235.05858	0.8
249.07283	2.5
250.08107	8.4
251.08771	1.0
263.08878	3.3
283.09454	0.3
297.03983	0.3
315.12222	0.5
365.12006	3.8
379.13580	11.6
380.13873	0.6
381.11517	1.4
395.13040	3.1
404.11517	0.4
419.13748	1.0
429.15317	0.4
445.14725	0.8
453.34329	0.2
460.17175	1.0
461.17877	8.4
462.18103	0.5
563.17419	0.3
593.22119	0.6
623.23041	100.0
624.23352	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	623.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13894	0.8
53.03941	1.5
55.01868	2.1
55.05519	4.3
57.03455	0.8
65.03928	2.6
66.04718	1.0
67.05505	8.8
68.99784	1.7
69.00390	0.7
69.03436	1.1
69.07059	2.4
75.85354	0.7
77.03922	1.1
79.05489	9.2
81.03416	5.5
81.07053	8.2
83.08597	1.7
85.06551	0.8
91.05478	28.9
92.05811	1.5
93.03373	1.8
93.07059	6.8
94.04199	6.2
95.04961	8.1
95.08614	6.2
97.06497	1.6
97.10167	2.2
97.88255	0.7
103.05466	22.4
105.07027	9.3
105.88903	0.8
107.04951	4.9
107.08598	4.7
109.06512	3.2
109.10134	2.8
115.05457	4.9
115.06163	0.7
117.03346	1.1
117.07003	5.3
119.04945	14.3
119.08562	5.6
121.06511	2.8
121.10133	3.1
122.03647	12.6
123.04418	2.6
123.08049	0.9
128.06204	7.0
129.07014	6.4
131.04921	14.7
131.08545	4.9
133.06480	5.3
133.10109	2.1
135.04434	3.1
135.08072	2.4
135.11699	2.0
136.05219	1.8
137.05975	100.0
138.06285	2.4
141.06981	3.7
142.07748	3.0
143.08553	10.0
144.05699	0.9
145.06480	10.7
145.10112	2.4
147.04485	4.9
147.08064	7.2
147.11690	1.6
148.05225	4.2
149.06015	7.0
149.09602	1.3
151.03935	6.8
151.07538	50.5
152.06239	0.9
152.07863	2.4
153.07018	1.7
155.06024	1.4
155.08563	2.3
156.09190	0.9
157.06499	7.4
157.10091	3.9
159.08063	6.8
159.11665	1.4
160.05183	1.6
161.06006	6.7
161.09659	2.4
163.03905	19.5
163.07530	14.1
164.08214	1.1
165.05544	1.9
165.06961	1.8
165.09111	8.8
166.07750	1.0
167.08568	1.5
168.09340	1.3
169.06470	2.7
169.10120	1.6
169.52861	0.8
170.07243	1.6
170.10884	1.1
171.08041	11.8
171.11624	1.5
172.08812	8.9
173.06021	2.4
173.09576	2.0
173.13179	1.4
175.03915	1.5
175.07549	15.8
175.09077	1.0
177.05505	8.6
177.09099	1.4
178.05905	1.0
178.07701	1.6
179.07024	1.2
179.08447	0.9
180.09280	1.3
181.06477	1.4
181.10127	1.2
183.08072	5.1
183.11728	1.8
184.08839	3.3
185.05983	3.3
185.09622	11.6
185.13263	1.9
187.07552	3.5
187.11185	3.4
188.08298	2.7
189.05446	1.1
189.09129	3.0
191.07001	3.5
193.08591	1.9
193.10170	1.3
195.08093	1.7
195.11697	1.3
196.08896	1.8
197.09650	1.3
198.10361	2.9
199.11185	2.6
201.05472	2.8
203.07018	19.2
203.08833	1.8
203.10648	5.8
204.09178	0.8
205.08565	4.0
207.08165	1.1
209.09697	1.1
211.07539	1.8
211.11192	3.0
212.11743	0.9
213.12744	26.8
218.07375	1.2
219.08011	1.5
221.09593	2.3
224.08302	1.2
225.09169	1.0
227.07004	1.3
232.08737	1.4
233.09523	1.2
234.06796	1.0
235.07446	2.4
235.11151	1.5
237.05351	1.3
237.09096	1.1
239.06880	1.1
239.10773	1.0
240.07686	1.2
247.07588	1.9
247.11272	1.5
249.09187	4.6
249.18413	1.0
251.07085	1.9
251.10646	2.1
253.08508	1.7
254.05788	1.2
261.09152	2.6
263.07227	0.9
263.10617	2.2
264.07761	1.5
264.11063	1.0
265.08517	1.5
265.12210	1.4
266.09372	1.2
267.06494	2.6
267.10117	4.6
269.08008	2.4
269.11536	0.8
270.08804	1.7
275.07159	1.0
275.10638	1.9
275.20013	1.1
277.08716	2.5
277.12302	1.0
278.09360	1.7
279.10211	4.3
280.07297	2.3
281.08325	1.7
281.11703	4.7
283.09418	0.9
283.13342	1.0
290.09143	1.0
291.06799	0.9
291.10229	2.0
292.10797	1.4
293.08157	2.2
293.11746	3.6
294.08862	1.9
294.12201	1.4
295.09619	2.7
295.13083	1.8
296.09879	1.1
299.09088	2.4
299.12701	2.3
303.10132	1.6
305.08078	2.1
306.08813	2.0
307.09601	4.5
307.13312	6.7
308.14008	3.0
309.11142	2.9
309.14551	1.4
311.12689	3.4
312.09808	1.3
317.08081	1.9
319.09680	1.2
320.10330	1.1
321.14886	1.3
322.15524	1.2
323.12595	1.2
323.16229	1.6
325.10657	2.8
327.12283	34.9
328.12555	1.9
329.13895	3.7
330.09171	1.1
331.09595	4.3
333.11261	2.3
335.12695	2.2
335.16409	4.3
336.17026	3.9
337.17963	28.5
338.18262	2.7
345.11279	1.0
351.15671	1.2
357.14523	0.9
360.09903	1.2
362.14896	1.1
369.11539	1.0
375.15884	5.1
383.08908	1.8
387.08206	1.1
397.10590	2.0
400.09290	3.5
404.12360	1.9
411.08643	2.2
415.11475	6.5
416.12292	1.4
418.14063	1.9
425.10046	1.9
426.10843	3.1
427.10889	1.6
427.76514	1.0
429.12808	1.4
430.14023	2.6
431.18692	32.2
432.19168	1.9
433.16290	1.1
441.13229	4.2
443.14914	1.5
455.14868	11.0
456.15265	2.0
457.16309	1.9
459.17917	9.8
470.17233	13.7
471.17300	3.7
485.19510	6.8
486.19809	2.5
499.21118	18.0
500.21237	2.2
520.11285	1.4
535.14093	1.8
550.16010	2.7
551.17334	1.1
565.18542	17.8
566.18646	2.9
579.20032	10.2
594.22406	14.3
595.22363	2.5
623.26056	26.5
623.41003	25.2
623.55890	1.0
624.27100	4.6
624.41821	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84526	1.2
53.03954	1.8
55.01862	2.7
55.05510	2.3
62.73400	1.0
65.03946	3.3
65.97546	1.3
67.05501	6.6
69.03448	1.5
69.07069	2.8
71.31528	1.8
77.74249	1.0
79.05492	6.0
81.07056	7.5
83.04967	1.2
83.08613	2.3
85.06577	1.7
91.05472	21.2
93.07058	5.3
94.04195	3.0
95.04988	3.6
95.08620	4.9
102.50295	1.2
103.05463	20.8
104.06240	1.7
105.03388	1.2
105.07020	11.8
107.04948	13.5
107.08604	4.7
109.06525	3.8
109.10167	2.7
111.08074	1.1
115.05431	7.2
117.03396	1.7
117.07034	5.0
119.04926	10.7
119.08571	5.9
121.06516	2.9
121.10158	4.5
122.03665	6.1
123.04448	4.9
123.08066	1.4
128.06245	4.5
129.06998	14.7
131.04918	14.2
131.08556	5.7
133.06473	9.0
133.10146	3.2
135.04431	3.2
135.08080	2.6
135.11646	2.7
136.05219	1.4
137.05971	69.0
137.09668	1.8
138.06337	3.5
141.06979	7.9
142.07756	1.5
143.04932	3.6
143.08575	4.0
144.05768	5.4
145.02791	1.5
145.06494	5.2
145.10159	2.1
147.04466	3.7
147.08083	5.0
147.11655	2.0
148.05180	3.3
149.05977	14.1
151.03906	7.3
151.07523	29.9
152.07910	1.5
153.07030	2.3
155.08554	2.0
156.09349	3.2
157.06480	8.8
157.10112	2.4
159.04503	1.5
159.08025	25.4
159.11725	1.8
160.05296	2.5
160.08369	1.6
161.05974	22.2
163.07532	23.8
164.08337	16.9
165.07042	4.4
165.09096	8.2
166.07759	8.4
167.07150	1.5
167.08527	1.6
169.06503	2.4
171.08083	2.4
171.11673	5.7
173.06088	2.9
173.13252	1.8
174.06700	2.2
175.07532	32.1
177.05486	4.0
178.07796	2.0
179.08572	4.8
181.06549	3.0
181.10114	18.7
183.08046	2.4
185.06032	1.9
185.09706	2.2
187.07520	27.4
188.08281	3.1
189.09146	5.4
193.10231	1.9
194.07280	4.2
195.08086	2.6
196.08859	1.3
197.06038	4.8
198.06818	1.8
199.07617	4.3
199.11232	5.2
201.09216	4.6
203.08812	1.9
203.10701	9.0
205.12274	1.3
207.08110	4.8
208.08685	1.2
209.06473	1.3
209.09613	28.6
210.06764	1.7
211.07649	3.4
211.09538	2.7
211.11356	1.4
212.08264	12.6
213.09091	4.5
215.08731	2.4
215.10629	1.6
218.07310	1.7
219.08252	1.5
221.09566	2.8
223.07661	2.2
224.08238	6.5
225.08989	2.7
227.07089	3.8
227.10655	95.2
228.11047	5.4
230.10954	5.3
231.08101	1.8
233.09541	2.3
234.06775	1.6
235.07584	9.1
236.08192	1.6
237.09132	1.8
238.09808	2.3
239.10696	7.3
241.08574	1.6
245.13327	5.2
247.07663	2.7
247.11169	4.8
249.09090	5.6
250.09740	1.6
251.07043	3.9
251.10849	1.4
252.07726	3.0
253.08723	3.8
258.10471	5.1
259.07526	1.6
259.11276	2.4
260.08508	1.5
261.09174	3.5
262.09921	2.1
263.07187	2.2
263.10791	2.4
265.08740	3.1
266.09457	2.9
267.10132	11.4
270.08789	2.2
273.12744	15.6
274.13333	3.4
275.10663	15.1
276.11298	2.8
277.08600	3.6
277.12073	1.8
278.09436	2.0
279.06729	2.6
279.10300	3.5
279.23373	1.5
280.07269	1.6
281.08768	2.0
281.11713	8.4
282.08777	1.3
283.09656	2.4
285.11237	26.0
285.14059	2.0
286.09723	2.0
287.11050	2.4
287.14432	4.3
289.12311	2.6
290.12973	9.7
291.10199	3.1
291.13501	2.0
291.19650	1.5
292.07541	1.9
293.08188	2.0
293.11777	1.3
295.09839	3.4
297.11166	5.5
299.12793	34.4
299.16119	2.2
300.13300	2.5
301.09216	1.5
301.12183	7.1
302.12714	1.6
303.10080	7.6
304.10895	4.0
305.11688	3.2
305.15256	21.9
306.08841	2.1
306.15759	2.3
307.09668	12.6
307.12943	1.8
308.10349	2.8
309.11215	2.2
311.09171	10.8
311.12857	6.7
313.14340	3.3
315.13681	1.4
318.12494	15.1
319.13287	5.1
321.11194	2.9
322.11914	5.6
323.13129	2.5
325.14490	1.9
331.09760	1.5
333.14816	28.5
334.15332	2.6
335.12805	5.0
336.13568	1.8
337.14450	3.3
339.15955	3.3
348.11639	1.4
349.14810	1.4
351.15897	48.9
352.16284	4.9
375.15790	1.2
403.11624	5.6
407.14774	9.1
425.14087	1.7
431.14871	1.3
445.16653	1.9
455.14661	1.4
457.16309	2.5
459.17960	8.3
460.18695	1.4
471.17941	1.4
481.20285	2.1
485.19550	3.2
486.20444	6.3
487.21170	1.6
499.21060	13.4
500.21283	2.9
594.22583	3.4
623.26318	100.0
623.36816	15.2
623.44812	6.3
624.26794	17.1
624.36511	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.9
55.05514	2.7
65.03938	1.6
67.05505	6.8
69.03410	1.8
79.05513	5.5
81.07072	7.8
83.04948	1.5
83.08634	1.9
91.05473	25.5
93.07055	6.3
94.04188	2.5
94.07372	1.5
95.04981	5.0
95.08598	4.7
103.05466	21.8
105.07027	11.6
107.04963	14.4
107.08612	3.6
109.06541	4.7
109.10172	2.6
115.05480	7.4
117.07010	4.1
119.04955	8.5
119.08615	5.5
121.06519	4.3
121.10181	4.7
122.03664	6.4
123.04430	6.1
123.08041	2.3
128.06252	5.9
129.07022	17.0
131.04933	14.5
131.08562	3.6
132.05724	2.5
133.06503	11.1
133.10156	2.7
135.04439	2.0
137.05971	65.9
138.06421	2.7
141.06996	4.4
142.67401	1.7
143.04921	4.4
143.08604	4.7
144.05690	3.4
145.06508	4.5
145.10135	2.0
147.04436	3.2
147.08113	4.6
148.05194	3.7
149.06010	11.7
151.03912	8.8
151.05025	2.4
151.07564	33.4
153.07109	2.2
155.08595	2.7
156.09367	3.4
157.06497	10.3
157.10089	2.7
159.08061	24.9
160.05310	1.9
161.05960	25.4
163.07538	24.3
163.08859	1.9
164.08347	17.2
165.07024	5.6
165.09126	10.3
166.07797	6.5
169.06476	2.3
169.10243	2.0
171.08057	2.9
171.11714	6.3
173.06007	2.4
175.07553	31.3
177.09108	2.0
179.08580	4.2
181.10100	15.9
183.08060	2.1
187.07526	32.4
187.09044	2.4
188.08292	1.9
189.09140	6.3
194.07237	2.4
195.08122	3.2
196.08789	2.4
197.06036	4.1
197.09715	1.7
199.07581	3.1
199.11234	5.8
201.09184	3.6
203.08888	1.9
203.10744	7.1
206.07193	2.3
207.08080	5.4
209.09610	25.9
210.10170	2.5
211.07626	4.3
212.08250	12.8
213.09123	5.7
221.09680	6.5
223.07532	2.7
224.08380	5.3
225.09143	6.0
227.10658	100.0
228.11066	4.3
230.10956	5.1
232.08855	2.3
233.09724	2.0
234.06909	2.5
235.07526	8.7
236.08124	1.8
238.09941	3.0
239.10773	7.0
241.08359	1.9
243.08073	1.9
245.13324	4.3
246.10284	2.6
247.11240	3.9
249.09158	4.0
251.07104	4.1
252.07884	2.6
258.10364	4.3
261.09052	4.0
262.09985	2.1
263.07135	2.1
263.10696	2.4
264.07733	2.2
266.09473	2.1
267.06769	1.8
267.10098	12.1
273.12735	16.4
275.10599	16.4
276.11404	1.9
277.08826	4.1
279.06796	1.7
279.10172	6.5
281.11743	13.1
283.09692	2.9
285.11221	22.5
287.11063	2.8
287.14389	5.3
289.08774	2.0
290.10172	2.1
290.12906	10.4
291.10309	2.7
293.08206	3.0
294.09033	2.1
295.09814	4.1
297.11255	8.1
299.12766	40.0
299.16074	2.5
300.13089	2.3
301.12241	8.1
302.12933	2.6
303.10263	6.4
304.10910	4.4
305.11853	4.0
305.15445	21.5
307.09607	10.0
311.12930	5.4
313.14349	2.8
317.11557	1.9
318.12405	13.9
319.13257	3.8
322.12000	5.6
323.12640	3.9
333.14871	32.3
334.15323	1.9
335.12836	3.4
336.13412	2.5
337.14490	4.4
339.15967	2.8
351.15881	47.9
352.16220	3.8
403.11887	4.7
404.12653	2.1
407.15054	4.8
459.18085	6.1
470.27090	1.7
471.17477	2.4
481.19739	2.3
485.19415	2.7
486.20285	5.2
487.21317	1.7
499.20920	10.5
549.32141	1.9
623.26416	83.9
623.37341	13.4
624.26691	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	623.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
57.80693	0.2
70.45113	0.3
70.45444	0.5
80.09472	0.3
80.33858	0.3
85.02924	0.3
96.01865	4.6
105.07047	0.3
121.02846	0.9
135.11674	0.3
137.05980	1.0
141.05240	1.1
151.07610	0.3
152.04424	0.3
153.01978	0.3
159.08012	0.3
166.07620	0.3
178.09689	0.8
185.04247	1.1
204.07629	1.3
205.08409	0.7
223.09401	2.6
279.11969	0.5
281.17673	0.4
303.12073	0.7
321.13312	0.4
339.14063	1.3
349.12540	3.9
367.13620	6.6
383.13354	1.3
385.14795	0.9
425.17880	1.1
441.17505	1.1
557.84760	0.3
623.26770	100.0
624.27185	11.8
642.74353	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
54.90136	0.5
55.01868	0.9
55.05493	1.9
57.03431	0.5
63.38647	0.6
66.68606	0.5
67.05502	3.2
69.03431	2.6
69.07053	2.2
69.20446	3.5
69.20868	1.8
71.05001	0.9
71.36980	0.6
79.05482	2.5
81.03409	2.5
81.07056	5.4
82.65754	0.5
83.04951	2.1
83.08601	1.0
85.02911	4.0
85.06532	1.7
87.04458	0.7
89.25988	0.6
90.66843	0.5
91.05455	3.6
93.07039	4.0
95.04945	1.9
95.08611	3.3
97.02882	2.2
97.06510	1.0
97.10155	0.7
99.04446	0.7
103.05463	0.9
105.07021	3.9
107.04928	1.1
107.08599	4.2
109.02864	1.5
109.06522	1.2
109.10149	3.6
111.04454	1.0
111.08118	1.0
115.05447	0.7
117.07014	1.1
119.04929	0.7
119.08560	2.8
120.08926	0.6
121.02896	0.8
121.06516	1.3
121.10147	3.7
123.04444	1.4
123.08011	1.0
123.11701	0.9
125.05998	1.4
125.09655	1.1
127.03916	2.3
128.06233	0.8
129.05446	0.9
129.06985	1.1
131.04921	1.7
131.08534	2.0
133.06467	1.4
133.10106	2.5
135.08092	0.7
135.11676	1.7
137.02286	0.6
137.05977	5.3
137.09590	1.1
137.13228	0.7
139.11191	0.8
143.08586	1.1
145.04938	0.9
145.06422	0.8
145.10138	1.7
147.04378	0.8
147.08046	0.8
147.11676	1.5
149.05960	1.5
149.09584	1.2
151.03931	1.3
151.07558	2.6
151.11174	0.7
153.01820	2.4
153.05548	1.0
159.08023	0.7
159.11687	1.9
161.05992	2.3
163.03894	0.7
163.07524	2.8
163.11171	1.1
163.14786	0.8
164.08272	0.6
165.09082	1.0
167.07034	1.5
169.08679	0.6
171.08064	1.5
171.11617	0.9
173.13217	1.2
175.07559	1.6
177.05534	0.6
179.03345	0.6
181.04884	0.8
181.08661	0.7
185.13217	0.7
187.14854	0.8
189.05405	0.8
189.09143	2.7
189.16397	0.6
191.10533	0.8
191.14264	0.8
193.08577	1.0
203.10835	0.7
207.06514	1.7
207.10165	0.7
222.08594	0.6
227.17792	0.6
235.09621	1.2
256.07306	1.1
284.07062	0.6
285.11285	1.4
286.11588	0.8
299.09131	10.5
300.09396	1.1
303.23123	0.6
311.09186	1.3
313.11002	0.9
313.14310	7.2
315.08572	2.3
321.24225	1.1
369.15277	1.8
443.12930	0.9
461.14594	0.7
561.26514	2.8
562.26959	0.6
563.24194	0.9
623.26447	100.0
624.26819	13.9
624.36353	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30975	0.3
55.05500	0.6
67.05499	0.4
69.07024	0.3
69.42040	2.1
79.05465	0.4
80.61331	0.3
80.81625	0.3
81.07051	0.3
83.08606	0.3
93.07037	0.7
95.08581	0.6
105.07056	0.6
107.08610	0.4
109.10188	0.4
119.08601	0.4
131.08488	0.4
135.08067	0.3
163.03928	0.4
175.03696	0.7
184.54744	0.4
189.05214	17.3
190.05611	0.6
201.05269	1.0
202.06021	1.9
203.06792	1.4
213.08824	0.4
216.07562	6.9
216.09474	0.5
217.08350	5.7
218.09143	0.4
219.06284	2.1
231.09862	0.8
233.07857	6.0
234.08604	8.7
235.09300	0.7
247.09384	3.2
351.86932	0.4
384.15512	0.5
397.16193	3.3
411.17734	10.8
412.18378	1.4
413.15176	0.4
428.18106	3.2
429.18716	1.4
592.26324	0.6
593.27094	1.1
623.28137	100.0
624.28577	12.6
624.36218	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26404	0.3
56.01229	0.3
57.08189	0.3
60.51226	0.3
67.05499	0.5
70.48942	0.7
93.07047	0.5
95.08587	0.4
105.07022	0.3
109.06471	0.3
131.53101	0.3
147.04407	0.3
167.07108	0.3
175.03743	0.6
176.04520	0.7
189.05220	26.8
190.05577	0.9
193.94865	0.3
201.05363	0.4
202.05951	1.4
203.06778	1.1
216.07573	5.3
217.08339	5.3
218.08922	0.7
219.06308	0.7
231.09850	0.6
233.07806	4.5
234.08606	5.2
235.09288	0.8
247.09357	3.7
397.16119	2.5
398.16364	0.3
411.17773	10.0
412.18304	1.5
413.15375	0.5
428.17987	4.1
429.18671	1.8
593.27228	0.9
623.28125	100.0
624.28522	14.2
624.39044	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11857	1.3
55.05501	4.1
57.07084	2.5
67.05507	9.1
69.07070	4.6
71.31562	1.9
79.05488	8.5
81.07060	9.0
83.04977	2.9
83.08635	3.1
91.05474	8.9
93.07049	5.7
95.04971	2.0
95.08617	5.8
97.10176	4.0
105.07033	4.4
107.08610	4.2
109.06485	1.5
109.10130	2.3
117.06970	2.5
119.08566	6.7
121.06586	1.5
121.10147	3.8
123.11695	2.1
125.09652	2.9
129.07024	1.5
131.08578	3.2
133.10112	2.4
135.11662	1.5
143.08620	1.5
145.10161	2.3
149.09561	1.8
149.13216	1.5
157.10168	1.6
159.11723	1.6
165.12698	1.4
167.08604	1.5
177.12816	1.8
189.11313	1.6
198.75543	1.5
258.07507	1.5
275.20279	1.8
277.21442	1.5
282.08417	1.3
289.17816	1.8
311.09137	6.0
312.09326	13.1
313.09723	8.6
376.75565	1.3
383.18442	2.3
389.17578	2.5
407.22214	1.4
417.20963	2.3
419.22357	4.1
430.17169	2.3
431.18549	4.1
432.19016	2.6
433.20230	9.4
434.20236	1.9
445.20157	5.2
446.20947	3.7
447.22012	7.2
458.20898	8.0
459.21643	6.3
460.22562	5.0
463.21271	4.4
476.21768	1.9
477.23108	1.5
518.23035	3.7
533.25830	6.8
535.26581	2.3
545.25391	2.1
546.26392	2.0
563.26337	5.2
591.28198	2.7
605.27228	12.2
606.27734	3.1
623.28418	100.0
623.44611	75.9
624.28888	16.1
624.45111	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	623.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23334	1.3
55.05516	2.9
57.03438	1.6
57.07082	3.0
67.05511	8.2
69.03422	4.0
69.07062	2.9
71.08628	1.9
79.05502	7.3
81.07066	7.9
83.08610	1.7
83.69337	1.4
88.33289	1.3
89.06036	7.5
91.05468	8.9
93.07037	7.4
95.08606	6.8
105.07059	6.5
107.04951	1.5
107.08593	5.0
109.10204	2.2
117.07022	3.2
119.08595	7.6
121.06533	2.1
121.10176	3.1
131.08603	3.1
133.08617	3.7
133.10159	4.5
135.11720	2.4
139.03966	1.6
145.06555	1.9
147.11685	1.6
149.09642	6.3
153.05516	2.0
157.04955	4.6
159.11743	2.8
161.13263	8.7
169.05038	1.9
177.11276	3.0
205.08647	2.8
225.11179	10.5
229.21733	2.3
235.98161	1.5
237.14636	1.8
271.16776	2.0
276.32977	1.6
279.15909	1.8
289.14395	2.4
289.17575	1.7
312.71161	1.4
343.99060	1.5
386.46481	1.3
389.18564	1.7
390.18350	1.9
391.19461	3.8
392.19745	2.9
392.99762	1.4
393.20828	1.6
399.16034	2.3
401.17523	2.7
405.20740	6.4
406.21405	5.4
407.22302	15.6
413.17767	2.1
414.18533	4.0
415.19110	6.7
416.20563	1.5
419.18408	2.1
421.23859	12.8
422.24377	3.6
427.19113	2.5
428.19974	3.4
429.20856	11.7
430.21689	2.5
434.25272	2.2
442.21701	2.0
443.22266	5.6
444.23123	6.5
445.19885	2.5
447.17654	1.9
455.19156	1.6
456.19623	2.0
457.24164	5.6
458.24878	9.5
459.21875	8.0
460.22717	4.0
461.19513	4.4
463.21335	1.5
472.22961	9.0
473.23563	4.2
475.21191	7.4
476.21753	7.2
477.22693	4.8
485.23642	15.5
486.19839	2.4
486.24106	4.5
488.22195	3.1
489.22656	3.1
490.23788	1.8
499.21219	4.8
500.22067	2.8
502.23856	2.4
503.24435	11.5
504.25385	2.2
513.22754	4.7
514.23553	3.1
517.26111	9.1
535.27081	6.1
536.27570	2.1
545.25488	98.5
546.25787	16.6
563.25537	1.9
573.24933	21.1
574.25458	3.2
591.26019	2.2
605.27563	100.0
606.27881	16.0
623.28564	81.8
623.38818	1.8
623.45288	2.5
624.28796	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	623.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.6
53.03936	5.3
53.72583	1.3
54.58366	1.3
55.01880	6.7
55.05513	25.2
57.03442	9.3
61.02635	2.2
61.02924	28.5
65.03939	5.6
66.65754	1.3
67.05501	52.7
68.05821	1.9
69.03423	12.6
69.07069	18.3
69.18944	11.5
71.04979	5.0
73.02897	9.2
75.47041	1.1
77.11317	1.2
79.05046	2.6
79.05490	44.7
81.03408	14.8
81.07051	52.9
83.04961	6.2
83.08622	14.5
84.16768	1.5
85.02895	23.2
85.06539	4.0
86.06616	1.2
91.03955	8.9
91.05473	57.0
92.05828	2.0
93.07041	42.8
95.04980	10.4
95.08603	26.9
97.02884	13.8
97.06508	8.2
97.10152	5.4
99.04467	2.3
99.08075	2.5
103.05436	5.2
105.04518	1.7
105.07023	43.1
106.07390	1.5
107.04961	10.3
107.08593	21.2
109.02843	3.9
109.06497	5.0
109.10144	14.5
111.04447	2.6
111.08065	5.6
114.76618	1.2
115.05429	7.6
116.06232	2.1
117.07013	33.6
118.98148	1.3
119.04919	4.3
119.08582	23.6
121.06486	9.6
121.10139	13.2
123.04444	2.8
123.08042	4.7
123.11694	2.2
125.06011	2.0
125.09617	3.3
127.03897	5.0
127.05396	1.6
127.07587	1.8
128.06187	11.7
129.06996	38.8
130.07787	1.7
131.04926	2.3
131.08568	42.2
132.08899	2.6
133.06499	10.0
133.10121	20.8
135.08052	7.4
135.11671	6.6
137.05988	2.9
137.09645	4.1
141.06970	16.6
142.07739	4.6
143.08565	29.9
145.04953	2.1
145.06503	8.5
145.10126	23.5
146.10530	1.4
147.04442	1.4
147.08070	8.2
147.11667	7.9
149.05960	2.3
149.09592	7.3
149.13274	3.2
151.03879	2.7
151.07457	2.0
151.11099	3.0
153.06976	3.5
154.07741	2.4
155.08551	27.4
157.06500	4.1
157.10118	20.6
159.08058	5.3
159.11668	12.7
161.09599	4.4
161.13232	2.1
163.07561	1.9
163.11168	3.2
165.06990	3.4
165.12685	1.9
167.08533	12.3
168.09163	1.9
169.10130	17.7
171.08051	4.5
171.11670	13.7
173.09576	4.3
173.13223	4.7
175.11191	5.1
175.14760	2.1
177.12708	4.1
179.08545	6.1
180.09270	2.1
181.10164	10.5
182.10846	2.4
183.08069	3.9
183.11682	12.0
185.09596	3.6
185.11806	1.6
185.13203	9.9
187.11201	3.0
187.14816	4.0
189.11250	1.8
189.12837	1.8
191.10672	2.8
193.10118	5.5
193.12192	5.3
194.10902	2.6
195.11691	14.2
197.09531	3.6
197.13196	8.3
199.11116	2.0
199.14816	5.4
201.12804	2.8
201.16425	1.9
203.14250	3.2
205.10172	2.6
205.12131	1.5
207.11676	4.5
209.13243	6.2
211.11186	3.0
211.13231	4.2
211.14862	3.7
213.12755	3.5
213.16463	2.4
215.14302	5.7
217.12247	1.7
217.15974	2.6
219.11636	2.5
221.13284	10.3
223.14812	7.7
225.12839	2.6
225.16386	3.1
229.16129	1.5
231.13892	2.1
233.13220	3.1
235.14743	4.5
237.16309	2.5
239.14288	7.8
239.17912	1.5
241.15880	2.6
243.17465	1.7
245.13091	1.5
253.15852	5.4
257.15302	4.8
259.16901	3.6
269.15112	1.8
269.17581	2.1
271.16940	4.3
283.16995	1.6
285.18600	2.0
303.19235	1.5
305.22794	2.4
315.21069	3.1
323.23593	5.5
331.18777	1.5
333.22211	13.4
341.24649	9.7
351.23166	41.3
352.23428	4.4
359.25879	1.7
369.19595	2.3
369.24213	38.7
370.24515	2.7
387.25320	19.9
388.25519	1.9
407.25571	1.4
425.26871	7.1
433.29324	2.1
443.27893	100.0
444.28406	12.8
445.29337	1.9
461.28928	74.1
462.29202	9.7
485.28842	3.7
503.29803	3.6
551.30737	1.5
569.30890	1.9
587.32117	2.7
605.32611	2.8
623.23480	1.8
623.34631	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	623.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.0
55.05513	9.0
57.07076	8.0
58.54285	2.7
60.97438	2.7
65.03957	4.2
67.05505	35.1
69.03427	9.2
69.07078	8.3
71.31031	2.7
71.31438	4.1
73.07446	2.6
79.05495	23.8
81.07056	41.2
81.35686	3.0
83.04965	2.7
83.08618	5.5
85.06554	3.4
91.05483	30.7
93.07056	27.3
95.04991	6.1
95.08602	22.8
97.06541	7.0
103.05433	2.6
105.07025	45.1
107.05019	4.0
107.08585	17.8
109.06470	2.9
109.10196	4.6
117.07027	8.1
119.08596	34.5
121.06527	5.6
121.10160	12.8
125.09644	3.2
131.08585	11.1
133.10129	18.5
135.08086	4.0
135.11717	7.8
137.09676	4.3
139.11182	8.4
145.10115	4.9
147.11678	4.3
149.09648	12.7
153.05614	3.0
155.08568	3.3
159.11716	26.2
161.13261	100.0
162.13596	3.6
163.07555	2.9
167.10689	4.4
169.04950	5.1
177.12766	5.5
191.07089	3.8
205.08841	3.5
209.15312	5.0
211.09618	3.7
225.11230	11.5
227.09169	8.0
237.14861	28.3
265.14438	8.9
271.12683	3.9
275.90646	2.9
279.15884	3.3
289.14432	3.7
299.05896	2.8
321.14346	3.2
341.21118	6.0
351.19745	3.4
351.24240	2.8
427.21255	4.1
451.35623	3.0
485.66599	2.8
583.35217	3.2
623.36060	12.7
623.45044	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	623.4514
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.9
53.03940	3.9
53.76636	0.6
54.87063	0.6
55.01624	0.8
55.01870	9.9
55.05510	74.3
56.05832	0.6
57.03437	4.1
57.07070	4.3
57.35207	0.6
58.06614	0.6
59.05007	3.0
65.03927	3.4
67.05502	86.9
68.05817	0.8
69.03419	7.4
69.07066	53.6
69.74847	0.6
70.07379	1.0
71.04990	7.9
71.08627	0.8
72.57590	0.6
73.06567	1.5
76.81532	0.7
79.05489	68.0
80.05822	1.2
81.03410	1.3
81.07054	100.0
82.07404	2.0
83.04980	11.2
83.08615	40.3
84.08930	1.2
85.02887	0.8
85.06547	6.2
87.04466	1.4
91.05475	35.0
92.05827	1.2
93.07040	66.0
94.07381	1.3
95.04961	6.9
95.08602	64.7
96.08957	1.4
97.06529	15.2
97.07113	1.1
97.10165	73.2
98.10499	1.0
98.69462	0.6
99.04499	0.7
99.08096	2.6
101.06052	2.1
101.09651	1.4
103.05479	1.7
105.04549	2.3
105.07027	28.8
105.07730	1.5
107.04922	3.2
107.08591	49.1
108.08923	1.1
109.06519	5.4
109.10154	36.6
111.08068	6.5
111.11728	3.6
115.05463	2.1
117.07017	13.0
117.07813	1.1
119.08575	21.7
119.09416	1.1
120.08984	0.9
121.06502	4.3
121.10139	39.2
122.10538	1.0
123.04459	1.3
123.08081	5.3
123.11703	11.7
123.12518	1.0
125.05997	0.9
125.09624	53.5
126.10001	1.5
128.06271	1.4
129.06999	5.2
131.05009	1.0
131.08565	19.8
133.06564	1.9
133.10124	17.1
134.10542	1.0
135.08035	12.2
135.11682	19.5
136.12025	0.8
137.05974	3.6
137.09624	5.9
137.13210	4.7
139.07568	1.5
139.11169	18.3
141.07042	1.5
142.07903	0.7
143.08553	5.4
143.10651	3.8
145.06541	0.9
145.10124	19.4
146.10492	0.8
147.08098	2.8
147.11678	14.2
148.05209	1.2
149.09590	7.9
149.13251	9.1
149.14284	0.8
151.07555	1.6
151.10208	0.6
151.11172	3.1
151.14919	1.5
153.09099	36.8
153.12813	2.3
154.09427	1.4
155.07326	0.6
155.08649	1.9
155.10779	1.1
157.10139	4.3
157.12222	4.2
159.08162	1.1
159.11699	13.4
159.12920	0.8
160.12152	0.8
161.06029	1.6
161.09692	2.8
161.13235	11.9
162.13701	0.8
163.07623	0.9
163.11177	4.8
163.14806	4.4
165.09164	3.7
165.12848	2.2
165.16515	0.8
167.08672	1.1
167.10732	1.5
167.14476	0.7
169.10222	2.3
171.10252	4.9
171.11775	5.5
173.09685	0.6
173.10431	0.9
173.11829	4.8
173.13361	9.5
173.14526	0.7
175.11302	2.0
175.14790	3.9
177.05505	0.8
177.12747	3.3
177.16502	2.1
179.10828	0.9
179.14386	1.6
181.10208	1.2
183.11794	1.8
185.13258	3.9
187.11234	1.0
187.13399	1.3
187.14807	5.1
189.09433	3.4
189.11212	58.7
189.16463	1.3
190.11679	2.1
191.14476	2.0
193.12378	1.4
195.11792	0.9
195.13814	0.9
197.13405	1.1
199.11227	0.9
199.14827	2.9
201.16447	3.4
203.12878	1.7
203.17990	0.8
205.16020	0.7
207.86537	0.7
209.13644	1.0
209.15500	1.5
211.14871	1.2
213.12950	0.9
213.16386	1.4
215.18147	0.9
217.19611	0.8
219.17690	0.7
221.15579	0.8
223.17116	1.3
225.16519	0.8
227.17961	1.4
229.15999	1.2
229.19603	0.7
231.21259	1.2
233.22987	0.9
235.17046	0.8
236.15082	1.4
237.16557	0.8
239.18134	1.1
241.19765	2.5
243.17473	0.8
243.21075	9.1
247.17081	0.7
247.20673	0.7
249.18642	0.8
253.19864	0.8
254.53531	0.6
255.17485	1.0
255.21162	0.9
257.19232	1.0
259.20844	2.4
261.19388	1.1
261.22116	20.3
262.22672	1.1
263.20334	1.5
265.21912	1.1
270.08972	0.6
273.18564	3.0
275.20340	2.2
277.19110	0.8
277.21933	2.6
279.20132	1.9
279.23175	53.3
280.23599	3.0
283.20514	0.8
287.20242	1.1
289.21765	1.3
291.19568	5.4
291.22537	0.7
293.21448	1.3
297.24213	19.0
298.24939	1.3
301.21906	1.4
303.23441	1.0
305.21469	2.1
309.20578	5.4
313.21783	0.8
315.23538	1.2
317.25272	0.7
319.22873	1.7
323.22397	1.7
327.21695	1.0
329.25070	1.0
333.24142	3.0
333.99551	0.6
345.61258	0.6
347.26147	1.7
367.30350	0.9
371.29935	0.9
377.28857	1.8
381.32019	1.7
385.31464	2.3
395.29449	7.6
396.30289	0.9
397.31491	0.7
399.32578	10.4
400.33337	1.1
403.32089	3.1
413.30457	19.1
414.31528	2.3
417.33679	20.0
418.34506	1.8
429.30435	0.8
431.31552	48.5
432.31689	5.1
435.34720	15.2
436.35373	1.3
449.32584	13.7
453.35959	3.0
533.40112	1.1
541.43030	1.5
551.40680	4.7
559.44458	1.8
569.41986	20.5
570.42847	2.6
587.43030	50.4
588.43262	8.1
605.44196	15.9
606.44904	1.5
623.28180	1.5
623.45667	27.6
624.45331	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	624.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56169	0.3
53.03936	0.7
54.50198	0.3
55.01863	1.1
57.03184	0.5
57.03440	8.2
57.86542	0.3
58.06503	0.4
59.04992	1.3
60.04534	0.7
61.02922	1.0
65.03928	0.4
67.05505	0.4
69.03432	23.9
69.79772	0.7
69.80170	0.7
73.02921	4.4
75.04465	0.5
75.88693	0.3
79.05482	0.9
81.03411	1.2
81.07056	0.8
83.04969	0.6
85.02909	16.8
87.04472	13.5
91.05482	3.2
93.07052	0.6
95.04957	1.8
97.02897	16.7
98.03175	0.4
99.04462	0.8
103.05470	8.9
105.07021	2.0
107.04939	1.6
107.08587	0.4
109.02870	0.8
109.06513	0.7
115.03934	18.4
115.05457	1.6
116.04243	0.5
117.07010	1.1
119.04943	2.3
119.08482	0.5
121.06490	1.6
122.03662	0.5
123.04411	3.8
127.03923	1.7
128.06227	6.9
129.07022	0.4
131.04924	8.0
133.04970	19.2
133.06529	1.0
135.08063	0.7
137.05977	20.3
141.06886	0.4
143.04939	0.5
143.08565	7.4
143.09636	0.6
144.08916	0.4
145.04929	1.8
145.06496	1.4
147.04413	1.3
147.08034	0.9
148.05183	6.2
149.05978	4.1
150.07654	2.2
151.03937	0.9
151.07541	10.3
152.07854	0.4
157.06461	0.6
160.05196	0.7
161.05989	8.5
161.09586	1.9
162.07622	0.4
163.06137	0.5
163.07541	11.3
164.08351	3.4
165.09082	2.8
169.06442	0.4
171.08054	7.3
172.08412	0.6
174.06816	1.8
175.07544	0.7
177.09105	0.4
183.08115	0.6
185.07173	0.3
189.09108	23.2
190.09448	0.9
203.10704	0.8
207.08101	0.4
211.07573	1.0
226.10062	0.4
229.08618	0.7
237.09100	0.5
239.07095	1.6
239.42949	0.4
240.07669	0.6
241.06773	0.4
245.08134	0.7
254.09424	1.6
255.09991	0.6
257.08102	1.7
259.08136	0.6
263.10730	0.7
269.08234	0.6
271.09708	0.6
272.10425	9.5
273.10727	0.9
284.10413	0.8
285.11252	1.2
295.13226	0.9
313.14334	100.0
314.14676	8.8
331.23660	0.3
368.15985	0.4
375.32953	0.4
524.65820	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.8
54.18798	0.3
55.01859	1.3
57.03174	0.4
57.03434	7.0
59.04977	1.2
60.04516	1.0
61.02906	0.7
65.03910	0.3
66.76888	0.3
69.03424	24.4
70.03785	0.6
70.49012	1.0
71.01331	0.5
73.02920	0.9
75.04455	0.5
79.05470	1.3
81.03395	1.0
81.07046	0.5
83.04967	0.7
83.18506	0.3
85.02898	16.8
86.03256	0.4
87.04459	14.8
90.69923	0.4
91.05457	4.3
91.89314	0.3
92.77486	0.4
93.07066	0.8
94.04130	0.3
95.04949	1.5
97.02881	15.5
99.04410	0.4
103.05449	9.0
103.06084	0.7
105.07008	1.2
107.04933	1.8
109.02857	0.5
109.06498	1.1
114.60468	0.3
115.03922	18.8
115.05455	1.1
115.36849	0.4
117.07007	0.9
119.04919	2.4
119.08566	0.6
121.06505	2.3
122.03631	1.3
123.04406	3.8
126.05521	0.4
127.03905	1.4
128.06206	7.6
131.04916	6.5
131.08604	0.5
133.04958	18.7
133.06488	1.4
135.08028	1.3
137.05962	21.5
138.06285	0.7
143.08540	8.9
143.09586	0.6
144.06621	0.5
144.08931	0.5
145.04950	1.5
145.06369	1.8
147.04372	0.6
147.08044	1.5
148.05167	4.0
149.05959	12.0
150.06392	0.8
150.07578	3.6
151.03883	1.1
151.06306	0.7
151.07518	11.6
159.08063	0.6
160.05174	0.4
161.05971	8.3
161.09596	1.4
163.07521	11.8
164.08279	2.8
165.09084	2.3
167.07008	0.5
171.06535	0.6
171.08031	10.0
172.08461	0.5
174.06729	2.2
175.07516	0.9
177.08975	0.5
179.10629	0.4
181.04897	0.5
185.09718	0.5
189.09085	28.4
190.09482	1.4
201.09067	0.7
203.10674	1.6
207.07907	0.5
207.11711	0.5
225.09018	0.4
227.91455	0.4
235.11234	0.8
263.10733	0.7
266.09384	0.4
267.10184	0.6
267.13828	0.8
269.08112	1.1
271.09634	0.5
277.09180	0.4
280.10873	0.5
284.10327	1.8
285.11154	1.3
295.13217	1.8
298.12036	0.4
313.14297	100.0
314.14618	8.0
325.14386	0.6
385.11713	0.4
391.14905	0.4
555.07281	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09108	2.7
51.72411	2.6
53.03947	5.2
55.05505	10.9
67.05506	23.0
69.03429	9.6
69.07061	14.2
69.23045	3.3
69.23388	26.8
74.35799	2.8
79.05492	16.7
81.03423	11.1
81.07051	28.6
82.52981	3.0
83.04963	3.8
83.08607	8.1
85.02905	3.0
91.05469	14.3
93.07047	25.9
95.08604	20.9
97.02885	5.4
97.10152	6.6
105.07037	8.6
107.08608	12.5
109.10157	12.4
110.03672	8.7
111.04444	3.4
117.06985	2.9
119.08571	10.8
121.10146	8.3
123.08028	4.5
123.11668	3.9
125.05994	34.4
125.09660	3.8
126.94734	2.8
127.03918	4.8
131.08589	9.2
133.10117	7.9
135.11626	7.0
139.03926	4.1
139.80444	3.7
145.10150	6.4
147.11755	7.0
149.13257	5.8
153.05444	59.9
154.06233	22.7
161.13271	3.6
170.05789	7.7
173.13248	3.3
185.08078	100.0
185.09669	6.1
209.08124	6.1
227.09088	4.0
230.06917	3.2
261.22125	9.0
275.09204	7.3
373.62079	3.4
384.50519	3.1
417.81146	3.8
442.88483	3.2
490.38852	3.2
567.31506	4.1
589.44513	4.6
624.40387	9.4
638.80377	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	624.4465
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35804	1.3
55.01868	17.2
55.05503	8.3
57.03436	1.7
57.07071	10.0
58.57750	1.4
65.03938	2.5
67.05504	19.5
69.03410	1.8
69.06700	10.4
69.07090	11.6
71.04989	4.8
71.08625	5.2
79.05486	24.3
81.07055	17.5
83.04982	21.2
83.08627	4.8
85.06575	1.7
85.10192	2.5
91.05465	19.0
93.07038	17.7
95.04972	5.4
95.08602	21.4
97.06511	14.1
97.10172	4.2
98.22577	3.3
99.04433	2.0
102.75990	1.4
105.07033	13.7
107.04959	5.8
107.08583	10.9
109.06506	4.0
109.10136	8.4
111.04425	25.5
111.08045	2.6
113.06004	1.7
115.05454	1.9
117.07024	11.7
118.39475	1.3
119.08597	8.7
121.06496	11.9
121.10152	5.3
123.08069	14.3
123.11729	2.2
125.05972	3.5
125.09573	1.3
129.06985	4.6
131.08563	11.8
133.06477	17.5
133.10103	10.4
135.08041	59.4
135.11702	3.3
137.09605	6.9
141.06979	6.0
143.08582	5.5
145.06471	5.5
145.10097	9.5
147.08034	11.3
147.11714	3.2
149.09605	10.5
151.07526	4.5
155.08537	7.2
157.06572	1.6
157.10143	5.5
159.08035	7.4
159.11708	5.2
161.05969	1.9
161.09593	9.5
161.13284	2.3
163.07535	44.7
167.08565	2.1
169.08707	1.7
169.10078	7.9
171.08032	6.5
171.11685	3.1
173.05988	2.1
173.09586	10.5
175.11174	12.7
177.09161	3.6
179.07024	3.3
181.08652	2.2
181.10150	3.2
183.11671	3.5
185.09659	3.9
185.13242	2.1
187.07680	3.5
187.11172	59.0
193.10187	1.4
195.11731	2.6
197.09616	6.6
197.13354	2.0
199.11243	3.3
205.12238	4.8
209.13286	1.6
211.11244	2.1
211.20573	2.1
213.09192	2.6
213.12709	1.9
215.10599	8.5
219.11949	1.8
221.13361	2.5
223.11224	2.7
225.12790	2.5
225.22115	4.4
229.12135	1.4
233.09413	1.2
233.11685	27.2
237.12802	1.7
239.14365	7.0
245.22435	1.6
249.12910	2.3
261.22141	5.8
263.23691	5.8
267.13831	3.7
267.17514	1.6
281.24548	1.9
285.14914	6.5
303.15945	4.8
315.26758	11.8
319.16989	3.5
325.18015	1.7
333.27893	6.0
337.18036	2.2
343.18893	2.9
349.29285	1.8
355.19064	5.7
367.29651	3.5
385.31073	8.3
403.32043	3.5
437.34308	1.7
499.35684	7.1
507.38150	2.0
517.36670	21.2
518.36523	2.0
535.37750	47.1
536.38147	7.1
553.38849	100.0
554.39111	13.2
571.39935	44.9
572.40283	5.8
583.12732	1.6
624.36761	2.0
625.34277	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1765
Annotation	Isorhamnetin 3-robinobioside
Peak:m/z	Relative Intensity
52.67482	0.4
53.03935	0.5
55.01865	0.6
55.05509	0.6
57.03435	3.3
61.02921	1.3
65.03951	0.4
69.03431	2.8
69.68968	2.3
71.04993	15.1
73.65056	0.4
75.04465	0.5
81.03409	1.7
82.65839	0.4
83.04982	0.9
85.02906	22.7
86.03221	0.5
86.72552	0.4
87.04436	0.6
91.05519	0.7
92.02615	0.6
93.03390	0.8
93.07058	0.6
97.02911	3.1
98.23274	0.6
99.04455	0.6
105.07027	0.4
109.02872	0.9
111.04440	0.5
114.57325	0.5
121.02869	0.8
124.01906	0.4
127.03911	1.9
129.05469	5.7
137.02348	0.6
137.05937	1.2
139.03828	0.5
140.57056	0.5
142.08629	0.5
145.04933	1.0
146.06059	0.4
147.06541	1.1
151.03880	2.9
153.01802	7.2
153.05487	0.5
161.09645	0.5
165.01933	0.6
165.05420	0.5
166.45630	0.4
189.05328	0.5
197.08069	0.8
205.04735	0.6
228.04192	0.9
229.04915	1.3
245.04512	0.8
246.05231	1.3
246.07625	0.5
251.13672	0.6
255.11310	0.7
257.04462	1.6
267.39819	0.5
273.03860	1.0
274.04752	3.4
285.03955	2.0
287.05554	0.8
302.04193	10.1
303.04819	1.0
315.08792	3.2
315.13327	7.0
316.08917	3.1
316.13586	0.8
317.06522	100.0
318.06882	6.0
359.07510	0.8
415.18439	0.5
568.02094	0.7
624.23578	0.6
625.23395	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	625.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
63.07582	0.8
69.57572	5.0
77.80747	0.9
80.56876	0.8
81.07059	1.4
91.05437	1.3
95.08580	1.2
107.08597	0.9
119.08596	0.9
124.62218	0.8
128.65829	0.7
131.08498	1.0
137.05917	1.2
155.45213	0.7
175.03682	7.5
181.05014	1.5
189.05220	35.9
190.05644	1.4
202.06015	4.4
216.07585	2.2
217.08380	7.4
218.09009	1.1
231.09978	1.3
233.07829	9.6
234.08582	3.4
247.09377	6.8
264.30182	1.0
399.13977	6.3
413.15515	5.2
428.18198	5.9
443.16876	1.1
474.46457	1.1
607.87476	1.1
625.26086	100.0
626.26385	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	625.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04397	0.5
71.33919	0.6
91.05471	0.5
109.06449	0.5
121.08694	0.4
137.05974	0.7
151.07510	0.4
167.07059	1.1
175.03647	3.3
181.05009	1.0
189.05217	28.9
190.05583	1.2
202.06000	6.0
203.06831	1.3
207.06297	0.7
216.07553	4.0
217.08321	7.4
218.09181	1.2
219.06203	1.0
230.20398	0.4
231.09956	0.6
233.07843	10.0
234.08527	4.3
247.09409	6.2
271.36133	0.4
338.84341	0.5
344.77319	0.5
350.68704	0.5
368.21082	0.5
397.16202	0.8
399.14050	9.2
400.14523	0.6
413.15714	5.4
420.05304	0.6
428.18173	5.6
429.18567	1.0
446.15250	1.6
595.24500	0.8
625.26093	100.0
626.26532	14.7
644.93628	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86514	0.3
53.19650	0.3
53.95963	0.3
57.92627	0.3
59.12016	0.4
61.99866	0.3
62.50221	0.3
67.46825	0.3
84.00704	0.3
86.09740	0.4
116.37611	0.3
128.76801	0.3
137.06018	0.6
151.03873	0.4
167.07045	0.6
175.03685	4.2
176.04504	1.3
181.04985	0.9
189.05223	29.9
190.05585	1.1
191.62172	0.3
201.05249	0.4
202.05989	5.7
202.07948	0.3
203.06726	0.7
205.04709	5.0
207.06464	0.6
216.07558	3.4
217.08321	5.6
217.10162	0.4
218.09120	0.8
219.06377	0.8
233.07813	6.7
234.08592	3.2
239.09634	0.4
247.09386	6.7
248.09943	0.4
289.40115	0.4
354.38248	0.4
366.46344	0.4
368.12363	0.4
397.16830	0.6
399.14127	7.6
400.14642	0.7
401.11987	0.4
413.15781	5.0
416.14438	1.0
417.14697	0.5
428.18155	4.3
429.19110	0.7
446.15439	0.9
481.85559	0.4
577.24304	0.4
595.24945	0.7
625.26141	100.0
626.26569	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	625.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34647	0.6
70.63731	0.9
88.68481	0.5
93.07058	0.7
103.05521	0.6
129.01360	0.6
133.06442	0.8
133.10187	0.7
137.05998	1.1
145.06525	0.7
149.05984	0.8
151.03966	1.2
165.09155	0.9
167.05711	0.6
167.07056	0.9
175.03856	0.6
181.04970	1.3
189.05200	12.5
202.05980	2.2
216.07619	4.2
217.08484	1.0
219.06219	2.9
232.07080	2.5
233.07849	10.8
234.08617	10.2
235.09131	0.8
247.09404	7.5
324.39917	0.7
346.87045	0.6
383.14682	4.0
397.16235	10.4
399.14447	0.9
400.05191	0.7
413.15570	4.0
444.17596	4.9
445.18115	0.6
595.25494	0.8
625.26123	100.0
626.26410	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	625.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	5.4
63.59279	0.6
64.96239	0.6
67.05507	2.4
69.03423	1.3
69.07068	1.9
70.06575	0.7
71.33357	0.9
72.08160	0.7
79.05495	2.3
81.07059	2.8
83.08614	3.1
85.06506	0.7
91.05484	0.9
93.07040	1.3
95.08627	1.3
97.06551	0.6
97.10163	9.3
105.07052	1.4
107.08595	2.6
109.10119	0.9
119.08544	0.7
121.10111	1.1
125.09615	7.7
125.75321	0.7
133.10117	1.0
135.08081	0.7
143.10637	0.7
145.10056	1.1
147.11740	0.6
153.09175	0.8
167.11731	1.2
188.09642	0.6
189.11174	3.4
211.09383	7.3
211.11053	0.7
227.12692	4.9
229.09312	0.8
305.20517	0.7
355.74261	0.6
437.21494	13.1
438.21896	1.0
625.31812	100.0
626.32166	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	625.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.7
55.01875	0.4
55.05510	3.1
57.03427	0.6
57.07068	1.4
64.70347	0.3
64.75503	0.3
65.03928	0.7
67.05508	6.7
69.03425	0.6
69.07069	2.4
70.68758	0.3
71.04985	0.7
73.76970	0.3
79.05493	6.3
81.03424	0.3
81.07057	8.3
83.04987	1.1
83.08606	1.2
85.06541	0.6
91.05475	6.3
93.06456	0.5
93.07040	6.7
95.04942	1.6
95.08607	5.1
97.06516	1.0
97.10165	1.0
105.04562	0.3
105.07033	5.0
107.04948	0.9
107.08591	5.3
108.08976	0.4
109.06513	1.5
109.10168	2.3
113.73407	0.3
117.07026	2.5
119.08571	3.6
121.06505	0.9
121.10141	2.9
123.08062	0.9
123.11712	0.8
125.09631	0.8
128.06242	1.2
129.07028	1.7
130.07771	0.3
131.08549	3.5
131.99734	0.4
132.77316	0.3
133.06532	0.4
133.10103	2.8
135.08031	1.0
135.11696	3.0
137.09651	1.1
139.11136	0.4
140.40596	0.4
142.07806	0.6
143.08562	2.9
145.10124	3.9
147.08020	0.8
147.11746	1.5
149.09628	1.0
149.13277	0.6
151.11163	1.0
152.08040	0.3
155.08533	0.4
157.10138	1.7
159.08078	0.6
159.11736	1.9
161.09621	0.8
161.13274	1.0
163.11188	0.5
169.04849	0.5
169.10165	1.0
171.11678	1.1
173.13254	0.5
175.11232	0.7
175.14932	0.4
177.12688	0.7
181.10168	0.7
183.11758	0.3
185.13246	0.4
189.12750	0.4
193.08614	0.6
195.11670	0.8
201.12787	0.4
202.06009	0.4
203.06828	0.7
211.09625	0.8
211.15099	0.3
225.11180	0.5
228.78894	0.4
229.19221	0.4
235.13333	0.4
245.19005	0.4
249.14644	0.5
255.17493	0.7
259.20599	0.5
273.18393	3.1
275.19925	0.7
279.23199	0.8
291.16641	0.3
291.19556	1.4
293.21365	0.5
320.55496	0.4
335.25818	4.3
347.22299	0.9
375.21936	0.4
445.25763	1.0
452.33853	0.3
457.26080	0.6
480.17377	0.3
589.28406	0.4
607.29559	0.5
607.43140	1.2
625.33228	100.0
626.33582	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	625.4461
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	6.7
53.75884	1.7
55.01876	7.3
55.05509	35.3
55.05752	2.6
57.03437	5.4
57.07072	13.4
65.03944	6.4
67.05505	65.4
69.03429	11.5
69.07067	32.5
69.70502	4.3
69.70896	2.2
71.05016	4.8
79.05489	68.8
79.05949	3.4
80.05852	2.6
81.03439	5.2
81.07054	56.8
83.05000	4.4
83.08623	13.3
84.60036	1.4
85.06557	8.0
91.05478	73.7
92.07364	1.3
93.07041	53.5
95.04981	10.4
95.08601	32.4
95.09136	2.1
97.02893	8.9
97.06561	4.4
97.10181	10.6
103.05505	4.3
105.04553	2.5
105.07028	100.0
106.07375	1.8
107.04353	1.7
107.04996	7.4
107.08584	33.4
108.08974	2.1
109.06510	8.1
109.10156	18.5
111.08086	3.3
115.05474	3.2
116.06308	1.5
117.07025	15.8
119.04964	2.1
119.08578	20.7
120.08924	1.7
121.06539	6.3
121.10140	21.1
123.08111	6.8
123.11729	5.3
125.09608	10.8
128.06323	1.7
129.07013	7.6
131.08589	18.6
133.06458	2.1
133.10130	60.9
135.08096	5.6
135.11707	13.8
137.06027	5.2
137.09651	3.9
141.06998	1.9
143.08566	11.6
145.10112	14.3
147.08060	7.9
147.11768	6.4
149.06007	1.6
149.09669	6.2
149.13326	5.4
151.11250	5.0
153.05470	9.6
153.09166	2.4
155.08569	2.8
157.10179	5.4
159.08064	1.7
159.11772	7.1
161.05968	1.9
161.09708	5.5
161.13350	6.3
163.07672	2.4
163.11234	2.8
165.05585	5.4
165.09193	4.4
167.08670	2.3
167.10698	3.1
169.04919	8.3
169.10170	3.5
171.11763	5.4
173.09624	2.1
173.13292	4.0
175.11250	3.6
175.14830	2.3
177.05586	2.3
177.12888	1.9
179.10703	2.4
181.10210	2.2
185.13284	3.6
187.14949	2.4
189.09164	1.7
189.11317	3.9
193.08556	1.9
195.10147	2.2
199.14903	1.8
205.08530	2.2
205.12366	2.3
207.10260	6.1
209.13391	3.1
211.14786	2.6
213.09116	2.5
217.08698	2.5
223.09700	2.5
223.13226	17.5
225.11200	25.9
225.13184	2.2
231.13922	2.2
237.11246	3.8
249.14949	3.1
251.16591	6.6
261.22308	3.8
273.15002	8.3
273.18585	15.2
291.16287	3.4
291.19507	68.2
292.20047	4.9
335.25891	2.5
339.19415	2.5
347.22296	1.8
357.20715	6.3
375.21457	2.6
384.80002	1.8
414.62415	1.7
425.27039	3.6
448.79370	2.0
457.25650	3.4
525.28632	2.6
541.31635	2.4
604.40045	1.7
607.36194	7.2
607.44672	2.3
608.36841	1.9
625.36481	4.1
625.44867	58.4
626.45483	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	626.4982
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.6
53.22797	2.7
55.01875	9.1
55.05509	37.5
57.03444	4.8
57.07077	17.2
65.03934	3.3
67.05504	57.0
69.03418	3.8
69.07068	26.2
69.29776	20.4
71.04994	4.8
71.08631	6.3
79.05491	46.4
80.05878	2.6
81.03397	5.4
81.07053	60.4
83.04986	11.2
83.08618	28.2
84.65536	3.3
85.06541	12.8
91.05481	35.7
93.07039	53.0
95.04967	51.4
95.08598	35.4
97.06535	10.0
97.10156	24.9
98.23347	5.2
99.08092	3.0
105.07018	43.7
107.04961	14.3
107.08586	41.4
109.06524	9.2
109.10162	25.3
111.04452	3.7
111.08065	10.9
117.07018	8.0
119.08569	23.3
119.45881	2.6
121.06522	6.1
121.10147	28.1
123.08086	7.5
123.11707	19.4
125.09613	21.6
127.07674	3.2
129.07024	3.9
131.08533	16.5
133.10121	40.3
134.10469	6.5
135.08018	6.5
135.11705	20.6
136.12050	5.1
137.09602	7.0
139.11194	4.4
145.10092	14.1
147.08089	5.7
147.11671	10.5
149.09608	32.5
149.13147	3.0
151.11186	9.9
153.05472	5.5
153.09077	17.8
153.12852	3.5
159.11647	7.1
161.09578	3.2
161.13289	5.8
163.11186	13.2
165.12723	5.0
167.10681	6.2
169.05029	3.3
171.11684	4.4
173.11784	4.3
173.13228	6.8
177.12753	3.6
180.49532	3.2
181.12314	3.5
183.11772	4.6
189.11157	14.9
191.10681	3.5
193.08580	3.5
207.10106	3.5
211.09685	7.5
219.10078	3.8
219.17491	4.3
223.09740	4.4
223.13329	12.8
225.11172	13.9
226.11508	3.8
237.14877	5.2
241.10736	3.8
245.22556	5.3
247.20633	5.7
251.16377	5.1
257.19092	7.5
273.14819	4.3
274.15207	3.3
275.20004	39.8
293.21072	100.0
294.21469	9.0
296.33173	3.0
328.19595	3.8
328.77859	3.2
332.50327	2.8
335.25925	14.4
340.77859	3.2
344.20477	3.2
349.23773	5.7
359.18314	5.8
377.19623	3.8
591.46204	15.2
608.36945	4.1
609.44946	12.2
626.36926	5.9
626.65839	4.8
627.40240	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	626.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	26.5
67.05504	85.6
69.07053	41.7
69.39032	7.4
71.04991	8.1
71.08617	14.0
71.33884	8.1
79.05483	57.2
81.07057	100.0
83.04985	9.8
83.08607	29.6
89.85894	7.7
91.05453	43.2
93.07037	66.6
95.04966	9.9
95.08598	79.1
97.06514	13.1
97.10158	19.7
99.08140	8.8
105.07019	31.4
107.08585	38.0
109.10175	39.1
111.08082	8.9
117.07013	11.0
119.08567	31.7
121.10126	40.4
123.11687	23.4
125.09649	9.4
131.08556	13.6
133.10110	31.1
135.08063	7.1
135.11667	33.1
137.09621	12.5
144.94234	7.5
145.10124	17.2
147.11691	21.7
149.13277	13.4
159.11653	10.9
161.13264	14.5
173.13194	11.6
205.84229	7.7
259.20520	18.5
261.22104	26.9
277.21729	41.7
279.23071	30.2
295.22662	14.2
297.24097	9.3
529.39343	9.6
537.43250	9.0
555.43451	13.7
573.44952	10.7
626.66144	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	626.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.2
55.05505	24.1
57.07064	4.2
58.31582	3.3
65.03916	4.6
67.05158	5.4
67.05505	100.0
69.07065	32.9
69.95535	13.6
71.04980	7.2
79.05491	48.1
81.07050	94.6
83.04967	7.3
83.08621	20.2
85.06526	5.5
91.05478	38.4
93.07037	62.9
95.04934	4.8
95.08595	76.7
96.90078	3.6
97.06511	9.5
97.10146	9.5
97.28638	3.3
98.18346	3.3
98.23253	3.8
99.08091	4.3
105.07017	23.9
107.08586	30.7
109.06490	3.2
109.10162	38.6
111.08071	5.8
117.07011	9.1
119.08585	22.8
121.10139	46.3
123.07992	4.0
123.11681	13.0
131.08553	16.7
133.10114	22.7
135.11673	42.2
137.09616	6.5
137.13156	5.1
139.11176	6.8
145.10098	19.6
147.11687	20.9
149.13235	16.4
151.11206	4.4
157.10150	3.6
159.11664	13.3
161.13260	19.5
165.12865	3.9
171.11780	3.9
173.11763	7.0
173.13181	7.2
179.14328	3.3
199.14798	3.7
241.19485	4.6
243.21005	7.8
249.22148	9.8
259.20596	16.6
261.22079	12.7
277.21591	45.2
279.23181	29.5
295.22556	12.4
297.24191	8.0
431.14532	3.3
433.46625	3.6
537.42963	9.4
555.43512	9.9
566.98712	3.7
573.44678	7.2
591.46393	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	627.1337
Annotation	Quercetin 3-(6''-caffeylgalactoside)
Peak:m/z	Relative Intensity
54.25606	0.3
55.01868	0.4
61.02912	0.4
63.02357	0.4
65.03929	0.6
65.17229	0.2
67.05491	0.4
68.99796	0.5
69.03419	0.7
70.06588	0.3
71.32544	0.3
77.19360	0.2
77.95547	0.2
79.05478	1.3
81.03410	0.9
81.07054	0.7
83.01288	0.2
83.06515	0.2
84.47489	0.2
85.02893	0.8
86.36314	0.3
89.03913	6.8
91.05493	0.6
93.03353	0.3
93.07012	0.4
95.04961	0.5
95.08615	0.6
97.02876	0.6
99.04440	0.4
103.08011	0.2
105.07007	0.4
107.04951	2.6
107.08572	0.3
108.55769	0.2
109.02859	1.0
111.00773	0.4
117.03368	7.8
119.08602	0.3
121.02848	0.8
121.06474	0.3
121.10136	0.5
123.04440	0.6
127.03917	0.4
129.06976	0.3
131.04916	0.3
135.04407	18.3
136.04762	0.7
136.19360	0.2
137.02339	1.9
137.05977	1.5
145.02841	13.0
146.03111	0.5
147.04375	0.3
151.03891	0.4
151.07460	0.4
153.01830	3.5
155.04977	0.3
161.05977	0.6
162.79729	0.2
163.03893	100.0
164.04234	3.6
165.01854	1.0
167.07095	0.5
173.05876	0.4
174.06754	0.3
177.05434	0.4
179.01666	0.3
179.07135	0.3
181.04953	0.6
183.02998	0.5
187.03923	0.3
189.09096	0.7
201.05441	1.1
201.09064	0.4
205.04745	1.1
211.04375	0.3
225.09077	0.3
228.04414	0.4
229.04913	2.7
247.06029	0.7
257.04413	1.4
265.07245	0.3
283.09741	0.3
285.03992	0.8
299.12646	0.5
303.04968	46.8
304.05267	2.9
307.08072	0.7
315.04898	0.5
317.06815	0.3
325.09164	4.4
325.13211	0.4
325.14410	0.4
327.12366	1.5
345.06009	0.8
627.24371	3.2
628.24377	0.3
632.87384	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.8
64.95792	0.2
65.03923	1.0
67.01859	0.2
67.05509	0.3
67.53593	0.2
68.99782	2.0
69.03417	0.3
70.26346	0.3
70.26686	0.8
82.95413	0.2
83.04967	0.9
87.74114	0.2
91.05473	0.3
93.03392	0.9
95.04958	0.5
97.02842	0.4
109.02885	0.3
111.00777	0.5
111.04436	4.2
115.05463	0.4
121.02864	0.3
123.04441	1.6
127.03899	1.8
137.06129	0.2
139.03889	100.0
140.04227	2.8
145.06485	0.3
147.04416	0.5
149.02342	0.2
151.03897	3.5
153.01787	0.3
153.05473	0.4
157.06508	0.3
161.05951	0.5
163.02618	0.4
163.03902	5.9
165.05444	0.3
167.03360	0.4
169.04935	0.3
171.04379	0.8
173.05913	0.5
175.03813	0.6
175.11864	0.4
177.05467	0.6
179.03378	1.6
181.04895	1.1
185.05849	0.3
187.03922	0.6
189.05438	1.7
191.03360	0.7
197.05995	0.3
199.03894	0.7
201.05452	0.5
203.03352	0.9
205.04959	0.5
207.02853	0.2
211.03772	0.2
213.05469	0.8
215.03458	0.3
217.04959	1.4
227.03339	0.6
229.04930	1.1
231.02774	0.5
233.04442	0.4
239.03468	0.3
241.04964	0.6
245.04398	1.4
251.06947	0.2
253.04919	0.6
255.02882	0.4
255.06277	0.3
257.04471	1.5
259.05878	0.3
261.03842	0.3
263.05273	0.3
265.05081	0.2
269.04456	0.8
273.03860	1.0
279.06525	0.3
281.04388	0.5
283.02499	0.4
285.03909	0.6
287.05490	1.1
295.06189	0.3
299.05313	0.5
303.04919	0.4
331.05887	0.3
367.08109	0.3
377.06583	0.4
393.05957	0.6
395.07584	0.7
405.05957	0.9
407.07611	0.7
413.08615	0.7
417.06125	0.3
423.07059	1.5
435.07217	0.5
441.08160	0.5
447.06821	0.4
453.08176	0.4
465.08069	1.7
471.08777	0.4
555.09186	0.7
573.10150	2.0
591.11328	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.4
55.01871	0.4
56.15333	0.1
57.03429	0.5
61.02927	1.0
65.03944	0.2
67.44668	0.1
68.99792	0.5
69.03434	2.3
69.43211	0.8
69.46832	0.1
70.06581	0.1
71.04978	0.2
73.02923	0.2
81.03416	1.3
83.01349	0.1
85.02902	6.3
87.04456	0.3
91.03944	0.5
95.04939	0.2
96.35931	0.1
97.02892	2.4
99.04456	0.3
103.94494	0.1
107.95738	0.1
109.02881	1.0
111.00826	0.8
121.02841	1.0
123.04437	0.4
127.03919	1.5
129.83876	0.1
131.04947	0.2
135.04370	0.2
137.02344	4.4
137.03342	0.2
139.03957	0.2
145.04959	0.9
149.02353	0.4
151.03931	0.2
153.01831	3.2
161.05949	0.2
163.03932	0.9
165.01826	1.8
166.02669	0.3
173.05972	0.4
181.31448	0.1
183.02907	0.6
183.04417	0.3
195.02992	0.2
201.05501	1.6
205.04993	0.2
213.05519	0.2
215.03285	0.2
219.06552	0.3
228.04120	0.1
229.04962	3.7
247.06058	0.8
257.04410	2.4
258.04819	0.3
274.04709	0.7
275.05435	0.3
285.03915	1.0
303.04968	100.0
304.05331	5.9
315.04889	0.2
327.05029	0.2
327.08789	0.3
345.05933	0.4
389.12360	0.3
397.08862	0.2
415.10501	0.2
433.11200	0.6
451.12405	1.8
465.10257	5.8
466.10419	0.5
466.16611	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	627.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.3
55.01868	0.5
57.03432	0.6
61.02936	1.1
65.03933	0.2
66.33675	0.1
68.99798	0.6
69.03431	2.3
70.35324	0.4
71.04986	0.3
73.02909	0.2
81.03404	1.0
83.01348	0.2
85.02908	6.8
87.04459	0.1
91.03938	0.2
93.03438	0.2
95.04964	0.2
97.02901	2.2
99.04440	0.2
109.02898	1.1
111.00779	0.9
119.67837	0.1
121.02841	0.6
123.04415	0.3
123.54880	0.1
127.03915	1.5
135.04424	0.2
137.02347	4.2
139.03889	0.1
145.04961	1.0
145.06599	0.1
149.02298	0.5
153.00635	0.2
153.01823	3.4
154.02141	0.1
157.06528	0.2
161.06046	0.3
163.03894	0.7
165.01833	2.0
166.02547	0.2
167.03487	0.2
167.07101	0.2
173.05988	0.4
183.02888	0.8
183.04337	0.2
187.03848	0.2
191.03355	0.2
195.03000	0.2
201.05484	1.2
205.04764	0.1
207.02998	0.2
213.05516	0.2
215.03380	0.2
219.02939	0.3
219.06517	0.2
229.04980	3.9
230.05385	0.2
239.03513	0.2
247.06081	0.8
257.04443	2.5
274.04620	0.8
275.05331	0.2
283.89627	0.1
285.03964	1.1
303.04974	100.0
304.05322	5.7
315.04999	0.2
323.32047	0.1
345.06055	0.5
345.25168	0.1
352.20712	0.1
369.05890	0.1
389.12326	0.4
397.08591	0.2
415.10211	0.2
433.11148	0.5
451.12357	1.3
465.10294	5.6
466.10620	0.5
562.93024	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	627.22
Annotation	Unknow
Peak:m/z	Relative Intensity
60.26167	1.4
65.73280	1.7
69.34713	9.9
91.05479	4.2
100.08903	1.3
121.06472	1.5
131.04878	1.6
135.04413	7.5
137.05986	9.9
149.05956	1.8
151.03897	1.9
161.06032	1.5
165.09178	1.6
167.07013	7.9
170.28430	1.6
175.07477	2.1
177.05443	3.3
181.04965	4.9
204.07835	1.6
205.04930	1.7
209.08087	3.7
272.14880	1.7
288.94162	1.5
627.22046	100.0
628.22522	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	627.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05479	0.7
59.02345	0.3
59.04983	0.5
67.05460	0.3
71.32849	0.6
82.99924	0.5
83.08585	0.3
100.11216	1.5
106.54189	0.3
111.04382	0.4
121.02850	0.4
123.04364	0.4
128.07030	0.4
137.06001	2.0
138.06342	0.5
151.03816	0.4
153.01706	0.7
163.07500	0.5
165.09061	0.3
166.99115	0.3
167.07091	0.4
175.07556	0.5
177.05309	0.5
181.04926	0.4
182.15363	1.1
183.15700	0.3
189.05249	0.9
191.03145	0.4
203.06786	0.6
204.07550	1.2
205.04701	62.7
206.05045	2.1
210.14926	1.9
210.42905	0.3
217.08301	2.3
218.05443	3.1
219.06270	0.5
223.05841	0.4
232.07027	2.2
246.07401	0.5
314.67700	0.3
337.21237	0.4
415.13553	3.3
429.15186	3.8
430.15982	2.1
431.16724	0.9
579.21979	0.5
582.40009	0.4
627.24023	100.0
628.24268	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	627.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29490	0.3
58.81074	0.3
61.21148	0.3
66.95096	0.3
69.03419	0.5
69.07031	0.8
71.32231	0.4
79.05489	0.5
82.99881	0.4
85.02869	0.8
91.05463	0.5
100.98837	0.3
121.06557	0.3
123.04374	0.6
137.05959	1.0
147.11629	0.5
149.05981	0.4
151.03880	0.7
167.07013	0.6
175.03680	0.7
177.05269	0.4
178.94804	0.3
181.04926	0.6
189.05219	0.5
196.04979	0.3
203.06778	0.8
204.07617	0.8
205.04712	64.2
206.05048	2.7
209.07990	0.4
211.07478	0.5
217.04677	0.4
217.08321	2.4
218.05447	2.9
219.06210	0.3
221.07983	0.4
232.07111	2.2
233.07642	0.4
246.07431	0.4
249.07448	0.7
260.64297	0.3
267.17459	0.5
275.09021	0.6
285.18509	0.9
299.09137	2.7
303.19504	0.7
385.13086	0.3
399.14215	0.4
415.13483	2.6
429.15021	3.1
430.15936	2.3
431.16864	1.5
465.32187	1.2
627.24060	100.0
628.24402	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	627.3346
Annotation	Leucasperoside B
Peak:m/z	Relative Intensity
55.01873	1.5
55.05504	5.1
63.50236	1.0
67.05520	5.4
69.07058	4.1
71.04996	1.3
71.33573	1.8
79.05488	4.2
80.32447	1.1
81.07061	8.3
83.08608	3.3
91.05482	4.1
93.07044	4.9
95.04953	1.6
95.08595	6.3
97.06534	1.7
101.64707	1.1
105.07013	4.5
107.04945	2.0
107.08592	3.4
109.06541	1.3
109.10186	1.8
109.15225	1.2
113.95847	1.0
114.20480	0.9
117.07056	1.5
119.08598	1.8
121.06517	1.4
121.10155	2.6
125.09636	1.5
131.08571	2.2
133.10133	2.1
135.11678	1.9
145.10193	1.8
159.11714	1.6
161.13272	1.6
163.11205	1.5
173.13342	1.2
183.02539	1.1
184.87091	1.4
189.11115	1.2
203.05276	4.3
210.10867	1.2
253.75491	1.3
277.21469	1.3
284.36215	1.1
354.66962	1.2
407.93427	1.3
447.27158	26.7
447.33310	1.4
448.27744	1.3
465.28171	20.3
466.28552	1.4
593.57904	1.3
627.33398	100.0
628.33893	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	627.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01601	1.6
53.03950	6.7
55.01870	4.8
55.05513	13.9
57.03437	2.6
57.06822	2.6
57.07079	34.7
59.05003	3.7
65.03921	3.2
67.05502	27.2
69.03420	7.7
69.07074	19.1
70.56256	3.9
71.04998	10.5
71.08624	2.8
77.03896	1.9
79.05495	62.8
80.05830	1.7
81.03425	3.0
81.07059	38.4
83.01354	2.8
83.04989	7.1
83.08609	5.6
85.06554	10.2
87.04482	2.6
91.05476	35.4
91.42567	1.7
93.07044	88.1
95.04969	9.6
95.08608	22.8
97.06531	7.7
97.10172	4.1
98.23256	1.8
103.05510	1.9
105.04496	3.2
105.07028	36.2
107.04993	3.1
107.08592	65.8
108.08964	2.8
109.06526	5.5
109.10150	14.4
109.18620	1.6
110.10461	2.1
111.04456	2.2
111.08067	3.3
111.11742	1.9
117.07048	4.8
118.80797	1.5
119.08577	15.5
121.06498	6.0
121.10137	22.8
123.04420	1.7
123.08088	3.4
123.11694	5.5
125.02294	2.1
125.09637	2.9
128.06223	2.0
129.05551	1.8
129.06998	5.9
131.08565	21.7
133.06552	4.1
133.10130	41.4
135.08051	6.0
135.11690	100.0
136.12016	2.8
137.05997	3.9
137.09602	10.6
139.11171	8.0
143.08598	8.8
145.10120	14.3
147.08044	8.8
147.11690	7.0
149.09612	13.3
149.13257	4.7
151.07542	5.3
151.11200	7.1
153.01797	3.3
153.05498	3.9
153.12785	3.0
155.08514	2.6
157.10159	3.1
159.08086	3.3
159.11699	6.7
161.05994	2.0
161.09641	4.5
161.13263	6.2
163.11195	5.3
163.14755	3.0
165.09117	3.5
167.10681	7.2
169.04953	3.0
169.10205	2.8
170.10979	2.0
171.08046	2.5
171.11745	4.0
173.09633	3.5
173.13286	6.9
175.07587	3.2
175.11229	3.8
175.14873	2.9
177.05504	1.9
177.09117	4.6
179.10698	2.2
181.12253	2.5
183.08070	2.1
183.10164	2.7
183.11690	1.9
185.09528	2.2
185.13306	4.3
187.07524	2.5
187.11078	2.4
187.14836	7.7
189.09126	1.8
189.12738	5.2
189.16464	2.5
191.10712	3.7
191.14359	5.1
193.08548	2.6
193.10236	1.7
193.12173	3.5
195.10199	4.5
195.13643	1.8
197.13399	1.9
199.14964	3.0
201.09053	2.4
201.12668	2.9
201.16295	2.0
203.10692	2.4
203.14337	3.3
205.08684	3.5
207.06497	2.0
207.10172	2.5
207.13745	2.5
211.09622	3.9
213.12744	3.0
215.14340	5.0
219.10170	2.7
219.13834	2.2
221.07906	2.1
223.09680	2.3
225.11249	6.5
229.08643	2.0
231.10080	2.1
231.13844	2.5
233.15433	4.0
235.13324	4.8
236.14932	2.0
237.14874	9.6
243.13805	5.7
245.11769	3.6
245.15408	2.3
249.14833	9.5
251.16388	11.9
253.12244	2.9
259.13181	2.7
261.14789	8.7
261.22031	2.8
271.13263	4.7
273.14743	2.1
275.16702	2.4
275.20087	8.4
279.15878	2.9
283.13351	1.7
283.20386	2.4
285.14987	1.8
285.18323	2.0
289.14426	4.0
291.12344	4.2
297.18384	1.9
303.15817	1.7
311.16507	2.0
313.17972	3.8
315.19589	5.0
317.17529	2.9
317.21042	3.7
327.19397	2.8
331.18982	5.3
335.18683	1.6
335.25806	5.9
347.18506	2.3
359.18527	8.4
373.20126	4.3
377.19598	3.1
381.24194	7.2
383.25830	1.9
391.21451	2.7
413.23279	1.8
423.29004	6.2
427.24655	5.7
437.30365	15.4
443.24191	3.7
455.31616	2.9
467.27841	1.8
469.29428	48.0
470.29800	5.7
475.23230	2.8
481.29507	4.3
483.31046	58.1
484.31180	6.7
529.38818	4.8
547.33759	2.5
563.33093	2.4
565.35370	4.5
609.33948	4.6
609.44379	2.7
627.34253	3.2
627.44067	6.5
628.35852	2.6
628.47479	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	627.4616
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	8.1
55.01873	22.6
55.05258	2.4
55.05510	34.2
57.03187	1.2
57.03441	16.8
57.07071	6.9
59.04999	2.4
65.03937	6.2
67.05501	97.3
68.05820	2.1
69.03416	4.6
69.06705	2.1
69.07066	34.3
70.07388	1.2
71.04974	4.4
71.05354	0.9
71.31554	1.3
71.31949	1.4
77.03938	1.1
79.05491	80.2
80.05827	2.6
80.31157	1.1
80.70816	1.1
81.03426	8.2
81.07053	100.0
82.07379	3.1
83.04973	9.5
83.08624	12.1
85.06528	6.4
87.18122	1.1
89.06030	1.6
89.80828	1.1
91.05479	84.5
92.05785	2.3
93.07041	85.8
94.07353	2.1
95.01347	5.8
95.04958	14.2
95.08601	66.4
96.08920	1.4
97.02892	1.4
97.05889	2.1
97.06525	33.5
97.10178	5.6
97.66271	1.1
99.04451	2.8
99.08102	2.1
103.05444	2.7
105.04527	2.9
105.07024	81.0
105.19381	1.1
106.07335	2.9
107.04950	18.2
107.08585	41.0
107.49854	1.1
108.08928	2.2
109.06513	12.9
109.10146	24.4
110.10505	1.8
111.08095	6.5
113.09628	1.4
115.05449	2.9
117.07016	26.6
119.08576	49.8
121.06502	7.5
121.10143	28.3
123.04429	1.5
123.08033	6.1
123.11709	10.8
125.09618	4.1
128.06236	1.8
129.07016	7.5
131.08560	37.4
132.08917	2.0
133.06491	1.5
133.10126	40.5
134.10490	1.7
135.08052	6.7
135.11679	18.2
137.05969	2.2
137.09627	7.5
137.13216	2.4
139.07527	3.1
141.07042	1.4
143.08604	5.7
145.06461	2.9
145.10124	19.5
147.07999	1.7
147.11670	19.3
148.12196	1.3
149.09599	12.3
149.13245	6.6
151.11186	3.2
153.05479	3.7
153.09100	1.6
155.08562	2.1
157.10114	4.5
159.08047	2.0
159.11705	15.2
161.09592	1.4
161.13280	7.4
163.11137	4.1
163.14861	2.2
165.09161	3.5
167.10674	1.7
169.04918	1.6
169.10144	2.0
171.11708	3.6
173.13263	7.9
175.11177	2.5
175.14821	3.2
177.09196	1.4
177.12752	1.9
179.14278	11.1
183.11679	2.2
185.13272	3.2
187.11166	2.5
187.14828	1.8
191.06990	2.0
193.08607	2.0
195.11725	1.2
197.13284	2.8
201.16408	4.5
203.14326	3.3
211.09627	2.5
219.17432	82.2
220.17775	6.2
221.15451	1.7
223.13239	1.8
225.11162	6.0
226.11618	1.3
229.19574	2.4
237.14804	1.5
239.17964	1.6
247.20583	3.2
257.19019	6.5
261.22137	3.7
273.18704	1.5
275.20047	61.4
276.20392	3.5
279.15854	2.2
283.13962	1.5
291.19489	4.1
293.21118	3.8
335.25769	61.9
336.26108	5.5
341.17383	1.4
349.23724	17.9
359.18304	2.2
609.34985	2.6
609.45056	48.1
610.45209	7.5
627.36200	1.7
627.46649	6.2
627.66663	1.2
628.46545	1.7
639.70569	1.2
653.81702	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4828
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.8
54.45849	2.9
55.01873	5.5
55.05510	32.5
57.03437	4.3
57.07060	5.2
59.05009	2.3
65.03961	3.2
67.05502	96.5
68.05802	2.3
69.03400	2.5
69.07067	41.5
69.27867	10.4
69.28282	8.0
71.04993	5.5
71.08629	3.3
79.05490	60.4
81.07053	100.0
83.04971	4.8
83.08611	24.6
85.06553	4.0
91.05470	40.6
92.00137	2.2
93.07043	73.7
95.04962	9.9
95.08597	84.5
96.08936	3.4
97.06544	10.8
97.10178	11.8
99.08080	5.1
105.07025	26.2
107.08585	44.5
109.06551	2.8
109.10138	41.4
111.08073	9.4
113.06007	2.7
115.80116	2.2
117.07026	11.2
119.08573	23.7
121.06476	2.8
121.10146	58.4
122.10512	2.6
123.08053	5.1
123.11699	16.7
125.09612	4.8
128.06259	2.2
129.06985	4.3
131.08589	16.5
133.10129	24.6
135.07990	4.5
135.11682	40.4
135.12633	4.4
137.09648	7.0
137.13203	4.6
139.11157	5.4
143.08591	3.0
145.10075	18.4
147.11627	18.0
149.09590	5.3
149.13193	15.0
151.11223	5.0
154.75934	2.6
157.10182	4.8
159.11659	14.3
161.13301	7.1
163.11201	5.2
163.14882	4.2
165.12762	7.2
165.71384	2.0
173.13219	5.2
175.14883	6.0
177.12773	3.0
179.14345	3.1
185.13181	3.3
187.14778	4.6
195.13751	2.9
214.47609	2.8
231.49059	2.5
232.95811	2.5
240.68938	2.6
243.21130	5.2
259.20596	10.7
261.22076	16.3
275.20084	7.5
277.21585	47.5
278.21964	5.2
279.23184	65.8
280.23557	6.2
293.21014	2.8
295.22858	5.5
297.24261	23.3
315.25711	3.0
320.13406	2.3
330.39993	2.6
355.72061	2.9
507.12570	2.7
519.41687	6.8
529.38989	7.1
537.43024	16.6
555.43988	35.3
556.44434	7.3
573.45172	30.0
591.46149	15.9
594.74896	2.9
617.21039	2.6
627.43280	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
55.05508	4.2
57.03438	5.8
61.02927	5.9
65.03939	0.7
67.05161	1.2
67.05505	18.7
68.05801	0.6
69.03428	1.5
69.07069	5.4
71.04987	1.9
71.08619	0.7
71.32342	1.0
73.02912	2.0
79.05504	10.2
81.03412	2.1
81.07058	24.7
83.04972	1.8
83.08615	4.6
85.02901	6.0
85.06529	1.6
91.03963	3.5
91.05493	5.1
93.07053	16.0
94.07370	1.0
95.04977	1.7
95.08614	7.4
95.45219	0.6
97.02875	2.8
97.06554	4.4
97.10173	0.8
99.04449	1.1
99.08104	1.6
105.07027	2.2
105.39080	0.6
107.08599	8.6
109.02872	1.2
109.06514	1.9
109.10178	1.4
110.98283	0.7
111.04410	0.7
111.08088	3.4
117.07016	2.4
119.08609	1.3
121.02877	0.9
121.06500	0.9
121.10144	7.0
123.04465	0.8
123.08053	0.7
123.11716	1.0
127.03915	2.2
131.08556	3.2
133.10141	3.2
135.04399	0.6
135.11700	3.1
137.02373	1.3
137.05995	5.1
138.06374	0.8
139.11220	0.8
143.08524	0.7
145.04996	1.8
147.04468	0.6
149.13251	14.2
151.03905	7.7
151.05016	0.8
151.07559	4.3
153.01828	3.0
159.11699	6.7
163.06055	1.4
163.07368	0.8
165.05472	12.2
165.09155	1.2
167.07071	1.3
169.04938	0.7
177.12740	4.5
186.40092	0.6
188.08414	0.7
195.13814	5.8
203.10623	5.2
229.04799	0.8
269.17474	100.0
270.17807	6.0
303.05032	5.6
317.06592	2.0
327.10855	0.7
327.15869	3.5
331.08008	0.8
338.76907	0.7
353.55975	0.7
431.22626	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	628.5145
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68814	1.8
53.03933	2.9
55.01877	2.5
55.05513	23.1
57.03425	3.0
57.07074	5.3
65.03921	4.3
67.05502	94.3
67.05860	4.6
69.07063	32.8
69.25358	17.6
71.04987	8.0
71.08645	2.0
73.06547	1.9
79.05490	42.4
81.07053	100.0
82.07394	2.2
83.04980	4.6
83.08609	17.8
85.06519	5.4
89.06035	15.5
91.05472	25.4
93.07037	42.1
95.04950	2.7
95.08601	88.1
97.06535	9.0
97.10207	12.8
98.22551	3.8
99.08109	2.2
99.11801	1.9
105.07012	19.9
107.04897	2.9
107.08586	29.1
109.06434	2.1
109.10152	46.2
110.10442	2.2
111.08058	5.9
111.11689	2.5
117.07004	6.4
119.08590	17.7
121.10140	30.8
123.08052	5.0
123.11696	16.4
125.09656	4.4
129.07010	2.4
131.08534	13.8
133.08626	7.6
133.10103	13.4
135.08055	2.8
135.11693	21.5
137.09602	2.0
137.13231	8.3
139.11145	3.0
139.45349	1.9
145.10107	10.6
147.11691	15.7
149.09576	2.9
149.13310	10.5
151.11169	2.7
151.14690	2.8
153.07806	2.0
157.10188	2.4
159.11703	8.8
161.13255	12.9
163.14801	4.9
165.12773	3.0
171.11740	3.4
173.11765	4.7
173.13280	9.9
175.14803	5.2
177.11246	5.5
177.16287	2.6
179.14366	3.6
187.14809	5.0
189.11192	2.2
191.17787	2.1
201.16434	2.4
243.21176	10.1
243.26762	1.9
244.21269	2.1
259.20724	2.5
261.22107	27.4
277.21713	5.2
279.23175	66.8
280.23526	4.9
282.45807	2.4
297.24203	13.8
415.25424	3.3
539.44568	5.7
557.45740	11.0
575.46185	5.7
611.48157	2.7
628.38300	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	629.2208
Annotation	Mulberrofuran K
Peak:m/z	Relative Intensity
50.86790	0.6
53.03941	1.2
55.01869	0.6
55.05505	2.4
57.03449	0.6
57.07061	0.7
58.55477	0.5
61.67784	0.5
63.47109	0.5
65.03944	0.7
67.05200	0.4
67.05498	3.0
69.03436	2.0
69.07067	2.9
71.04995	1.0
79.05501	3.1
81.03415	2.9
81.07052	5.2
83.04976	1.8
85.02902	1.7
85.06577	0.5
91.05476	3.8
93.07043	6.7
95.04962	1.9
95.08609	5.4
97.02843	0.8
97.06525	1.3
97.10169	1.0
98.23424	1.2
99.04450	1.3
99.08103	0.7
103.05470	1.0
105.07015	4.1
107.04997	0.6
107.08591	3.7
109.02866	1.1
109.06515	1.9
109.10151	2.7
111.04427	0.6
111.08092	1.8
111.11735	0.7
115.05422	0.7
117.07027	1.2
119.04951	0.6
119.08575	2.6
121.02858	1.4
121.06496	2.1
121.10159	5.7
123.04423	8.1
123.08081	0.9
123.11715	2.2
123.84744	0.5
125.05991	1.2
125.09631	0.8
127.03813	2.5
131.04915	0.7
131.08575	1.3
133.06493	0.6
133.10146	2.0
135.08096	1.4
135.11720	1.6
137.05968	7.4
137.09589	1.2
139.03905	6.8
139.07535	0.9
139.11174	1.1
140.07065	1.0
143.07054	0.5
145.04947	0.6
145.06485	0.9
145.10133	2.3
147.04414	1.2
147.08034	0.7
147.11710	1.8
149.02359	0.7
149.05942	1.1
149.09633	1.7
149.13289	0.7
151.03868	2.9
151.07536	0.9
151.11159	0.7
153.01825	1.5
153.05516	1.1
155.08702	0.5
157.10181	0.9
159.11739	0.6
161.05957	1.2
161.09589	0.6
161.13277	1.1
163.03886	1.1
163.07570	0.6
163.11153	1.2
165.05548	1.2
165.09148	1.2
165.12764	0.9
167.03395	1.0
167.07091	1.2
169.04680	0.6
169.12183	0.8
171.11769	0.9
173.09619	1.3
173.13397	0.9
175.04007	0.6
175.07564	0.7
175.11217	1.2
177.05530	0.8
179.03386	0.9
179.07068	0.8
181.04994	0.9
181.08575	1.1
181.12080	0.8
185.13469	0.6
189.09184	0.6
189.12779	0.7
191.10687	1.1
191.14404	0.6
195.06454	0.6
204.06604	1.4
205.12254	5.3
209.08119	0.5
217.12238	1.9
227.11783	1.3
229.06775	0.8
235.13278	1.7
239.09401	0.7
243.11298	0.6
253.09776	0.5
253.14316	1.7
269.12762	1.0
271.10669	0.7
273.07571	1.7
283.10513	0.7
285.12268	1.6
287.13947	2.6
297.12314	0.6
299.09244	1.1
301.07062	5.4
303.79279	0.5
311.10263	3.8
313.10806	1.0
317.08603	3.4
327.08948	0.6
329.10870	0.6
343.12903	2.1
356.13763	0.6
367.12674	0.7
411.09143	0.6
413.49152	0.6
431.31595	1.5
432.31802	1.5
449.32886	1.1
450.33240	0.9
457.15936	0.7
458.16864	0.9
489.18945	1.2
490.19540	0.8
497.17236	0.8
506.19815	0.6
507.19830	1.0
555.22101	0.9
557.29462	0.9
597.23425	4.2
610.01263	0.6
629.21783	100.0
629.34735	23.1
630.22406	15.2
630.34601	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
55.05515	0.7
55.49403	0.3
57.03453	0.5
67.05498	0.9
69.03419	0.8
69.07080	0.5
69.51308	2.0
71.05009	0.4
71.22781	0.3
78.77581	0.3
79.05502	1.2
81.03413	1.1
81.07062	2.1
83.04968	0.5
83.08633	0.5
85.02904	1.1
85.06541	0.7
86.77000	0.3
87.51521	0.3
91.05492	2.0
93.07047	3.8
94.41278	0.2
95.04963	0.8
95.08621	1.2
97.02857	0.3
97.10151	0.4
98.22655	0.6
105.07043	1.4
107.04953	0.4
107.08594	1.3
109.02866	0.9
109.06534	0.4
109.10164	1.3
111.04393	0.5
111.08080	0.4
112.03980	0.4
117.07008	0.3
119.08582	1.0
121.02872	1.2
121.06537	1.2
121.10139	3.1
123.04433	1.3
123.11729	0.6
127.03805	0.9
131.04970	0.3
131.08618	0.8
133.10182	0.6
135.08022	0.3
135.11688	0.7
137.06006	1.0
138.85922	0.3
139.03908	1.0
139.07542	0.3
139.11250	0.3
140.03453	0.6
145.10100	0.3
147.04459	0.7
147.11729	0.5
149.05956	0.5
149.09628	0.9
151.03923	0.9
151.07594	1.1
151.11096	0.4
157.10229	0.4
159.07921	0.5
159.11757	0.7
161.06001	0.5
161.09531	0.3
163.03915	0.5
163.07529	0.7
163.11125	0.4
165.09065	0.4
167.07008	0.5
169.04759	0.6
171.02574	0.3
171.08018	0.4
173.04216	0.4
175.07652	0.3
177.05508	0.4
181.05080	0.4
181.08621	0.3
193.08769	0.3
203.10741	0.4
229.06944	0.6
247.13397	0.3
258.05215	0.7
267.33002	0.3
286.04889	1.0
299.09119	0.5
301.07043	7.2
301.10370	0.6
317.08533	3.3
335.12665	0.7
406.82086	0.3
431.31747	0.5
497.17670	0.7
557.29266	1.2
629.22021	100.0
629.34583	13.4
630.22339	12.1
630.34180	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
71.09894	1.1
91.05479	1.8
104.59284	0.7
105.07076	1.0
107.04980	1.0
109.71694	0.6
110.74109	0.8
110.74848	0.7
123.04416	1.0
125.86028	0.9
127.03735	1.0
133.06499	0.8
137.05989	2.9
138.63550	0.7
151.03905	2.0
153.05463	0.9
163.07515	0.8
167.07065	5.5
170.56340	0.8
177.05533	1.1
181.04999	3.2
191.07018	1.1
193.08588	1.3
195.10254	1.3
204.13104	0.7
209.08174	1.3
210.08513	0.9
210.97092	0.8
241.64140	0.7
317.08395	3.2
328.46893	0.8
334.67450	0.7
335.12503	1.3
401.21414	0.7
629.21979	100.0
630.22375	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	629.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46793	0.6
52.35705	0.6
53.03939	2.4
53.91787	0.5
55.01860	0.9
61.71943	0.6
65.03920	1.5
67.05502	1.5
70.20264	2.0
75.72975	0.6
78.04693	1.2
79.05495	3.3
81.03372	0.7
81.07034	1.0
91.05460	4.5
93.03413	0.7
93.07021	1.8
95.04401	1.1
95.04959	12.8
103.05433	3.3
105.04499	1.6
105.07021	8.9
106.04150	1.2
107.04951	2.7
107.08605	0.8
109.06515	4.0
110.03683	0.6
111.04420	0.8
117.07011	0.7
118.04139	1.1
119.04931	1.4
120.05711	1.3
121.06514	5.6
123.04428	18.0
124.05113	0.9
125.05984	0.6
129.07005	0.7
131.04962	0.9
133.06459	6.8
135.04364	1.4
135.08043	1.4
137.05951	9.6
140.04645	4.3
147.04399	1.9
148.05109	0.9
149.05946	5.4
150.06732	3.0
151.03903	1.7
151.07507	2.7
152.04697	1.6
152.08279	1.9
153.05460	1.0
154.06169	1.0
155.07008	5.7
161.06062	1.0
163.07466	1.4
165.05476	8.4
165.09096	8.2
166.06227	1.8
167.07027	100.0
168.07388	3.5
177.05522	2.8
177.09198	0.6
179.07048	5.4
181.04993	6.9
181.08583	18.4
183.06503	11.6
191.07069	2.9
191.10632	1.3
192.07738	1.2
193.08588	73.7
194.09317	7.7
195.10028	1.0
207.06526	1.9
208.07265	1.2
209.08084	24.9
210.08752	2.4
211.09654	1.2
221.11707	1.9
237.11183	20.0
238.11528	0.7
401.15976	2.2
402.16769	4.1
402.41373	0.8
403.17099	1.4
512.58771	0.7
629.33728	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.6
55.05516	4.4
57.07076	18.8
59.04993	2.6
67.05505	11.0
67.56205	0.9
69.03426	3.3
69.07061	5.8
69.25236	3.6
69.25655	2.7
71.04993	11.9
79.05498	15.9
81.07057	27.2
83.01315	2.0
83.04977	2.4
83.08636	1.7
85.06549	9.4
87.04498	1.2
91.05485	15.8
93.07049	21.4
95.04977	5.7
95.08620	8.5
95.37437	0.7
96.49988	0.9
97.06554	4.9
100.22681	1.0
103.05422	0.9
105.07029	20.3
107.04942	2.0
107.08594	17.8
108.08958	1.1
109.02872	1.0
109.06521	8.4
109.10161	15.3
110.10535	1.1
111.04449	1.2
111.08091	2.2
113.06012	4.1
117.07012	2.1
119.08588	6.7
121.06530	3.5
121.10148	12.7
123.04469	2.8
123.08059	3.3
123.11713	9.6
125.05991	1.6
125.09618	1.8
127.07545	1.5
129.06978	2.1
131.08557	4.3
133.06493	2.0
133.10126	19.6
135.08060	3.8
135.11700	12.5
137.05980	11.2
137.09604	6.9
137.94530	0.8
139.03891	1.9
139.11151	6.0
141.05435	7.4
143.08574	3.2
145.06487	2.0
145.10118	2.8
147.08075	4.6
147.11690	1.7
149.09589	5.2
149.13252	1.0
150.10431	1.7
151.07535	1.6
151.11177	32.5
152.11548	1.4
153.05482	14.5
155.10690	1.3
156.09398	1.1
157.04953	1.8
157.06433	1.1
157.10110	1.6
159.08041	1.6
159.11748	1.9
161.05997	1.0
161.09595	3.2
161.13313	1.4
163.07573	4.2
165.05504	9.7
165.09138	6.8
167.03372	1.7
167.07074	2.6
167.10677	4.0
169.04967	31.8
169.12268	2.5
171.08017	1.4
171.11662	1.2
173.13304	2.1
175.07562	3.9
175.11247	1.5
177.05481	2.0
177.09151	3.3
179.07016	1.5
179.10696	2.7
181.04785	1.0
183.06578	1.6
183.10115	1.0
187.07515	1.9
187.11220	1.2
189.09174	2.6
189.12851	1.2
191.07010	2.6
191.10612	1.6
191.14311	2.8
193.08604	13.1
193.10188	1.4
193.12247	1.3
195.10129	1.8
195.13774	1.0
199.07573	1.5
199.11296	1.5
203.07048	1.7
203.10699	2.2
203.14377	1.6
205.08607	12.7
205.15883	1.5
207.10164	8.0
209.15419	3.1
211.09636	21.4
211.11586	1.3
212.10016	1.2
213.12746	2.5
215.07092	1.3
215.10735	1.2
215.14236	1.2
217.08594	1.3
217.12250	1.1
219.10152	5.5
219.13821	2.1
221.11714	1.9
221.15326	2.1
223.09674	5.7
225.11211	100.0
226.11543	3.6
231.10216	1.7
231.13844	4.3
233.11604	1.0
233.15396	1.4
235.13327	3.6
237.11246	2.5
237.14851	12.3
243.10341	1.3
245.07997	0.9
245.15424	3.6
249.14920	1.2
251.16475	2.6
253.12402	0.9
255.13707	1.9
259.13358	3.0
261.14835	3.9
265.14334	1.3
269.11746	1.1
269.15323	1.2
271.13275	4.1
273.14896	6.6
275.12799	2.9
277.14410	3.8
279.15927	11.7
287.12775	1.0
287.16397	2.2
289.14334	3.5
291.15900	10.6
297.11072	0.9
315.15988	1.2
329.13800	1.2
339.19492	1.4
341.17340	1.5
343.19009	3.4
357.20651	8.9
358.20889	1.1
361.20093	5.7
375.17444	1.5
375.21710	14.6
376.22223	1.3
379.21457	1.1
393.22882	1.1
411.25217	2.0
415.24908	0.9
429.22104	0.9
429.26517	10.4
443.24323	19.5
443.64261	1.0
444.24261	1.4
447.27197	1.2
459.23663	1.2
461.25461	5.8
462.25497	1.6
509.29166	2.2
511.26978	1.1
523.27325	1.0
527.30438	5.4
528.29749	1.2
541.27783	1.4
593.34790	8.3
594.35718	1.1
611.35834	64.8
612.36127	11.7
629.36365	12.3
630.36829	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	629.498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
55.01862	2.6
55.05505	22.2
57.03445	3.0
57.07071	5.4
59.04995	1.5
65.03931	4.2
66.93034	1.2
67.05498	80.7
69.07060	36.1
69.07434	2.0
70.07381	1.1
70.60228	3.0
71.04990	6.0
71.08604	3.3
71.74561	1.5
73.06561	1.9
79.05483	44.9
81.07047	95.9
82.06812	1.3
82.07360	2.2
83.04965	4.8
83.08607	17.1
85.06537	8.2
91.05470	22.4
93.07034	49.2
94.07360	1.9
95.04982	4.6
95.08598	84.9
96.08939	2.8
97.06522	11.0
97.10142	9.3
99.08086	3.1
105.07011	18.9
107.08582	27.4
109.06523	2.6
109.10146	47.5
111.08093	4.7
111.11707	3.9
117.07019	4.9
119.08559	16.1
121.10121	31.5
123.08044	2.9
123.11690	16.9
125.09596	2.7
131.08553	10.7
133.10120	14.7
135.08034	1.5
135.11678	23.8
137.09619	2.5
137.13252	7.3
139.11156	4.5
143.08478	1.9
145.10110	13.2
147.11665	11.9
149.09657	2.9
149.13251	11.1
151.11162	3.1
151.14850	3.3
153.12828	1.4
154.20757	1.6
159.11690	10.0
161.13266	12.9
163.14842	5.8
165.12784	3.7
165.16356	1.8
171.11703	2.4
173.11819	2.5
173.13303	6.3
175.14796	3.9
177.16403	2.7
179.14314	1.3
185.13184	1.7
187.14845	5.1
191.14270	2.2
195.13910	1.6
199.14941	1.5
203.17982	1.6
209.15405	1.9
241.19585	1.7
243.21033	15.0
261.22110	34.1
262.22580	3.1
279.23160	100.0
280.23529	5.1
297.24207	25.5
298.24582	1.5
354.04971	1.2
521.43311	4.7
528.92841	1.7
529.46179	2.1
539.44519	16.6
540.44427	1.9
557.45453	31.0
558.45844	3.8
575.46411	13.3
576.46436	1.3
593.47101	3.8
629.37427	2.7
630.47083	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.4984
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	1.2
51.36877	0.9
53.03944	2.9
55.01855	2.9
55.05260	1.8
55.05510	22.5
57.03433	4.0
57.07069	5.0
59.05002	1.1
63.02370	1.1
65.03943	4.3
67.05502	76.6
68.05835	1.6
69.03441	2.6
69.07063	31.7
69.48956	3.5
69.49368	2.2
71.04997	7.3
71.08614	1.1
73.06566	1.0
79.05492	39.3
80.05882	1.4
81.03445	1.1
81.07053	92.1
82.07385	2.6
83.05000	6.0
83.08619	14.9
85.06532	6.4
89.03916	5.2
91.05473	22.9
93.07042	47.7
94.07376	1.4
95.04972	3.7
95.08602	83.6
96.08942	2.5
97.06535	7.5
97.10163	11.2
98.23279	1.1
99.08080	1.9
105.07027	20.3
105.07736	1.6
107.04977	1.2
107.08587	28.8
107.09260	2.1
108.08926	1.5
109.06543	3.0
109.10146	42.4
110.10518	1.3
111.08076	4.5
111.11743	2.5
113.05981	1.2
117.03375	12.2
117.06996	5.9
119.08569	20.6
120.08898	1.3
121.06482	1.6
121.10136	27.4
121.10986	1.5
123.08078	5.2
123.11697	17.7
125.09670	2.9
127.07526	1.5
127.11170	1.2
129.07008	1.8
131.08563	13.5
133.10126	17.0
135.08069	2.9
135.11671	21.4
136.12076	1.3
137.06038	1.2
137.09586	5.9
137.13249	8.9
139.11195	3.9
144.98167	1.2
145.02847	29.4
145.03951	2.1
145.10130	13.5
146.03203	2.1
147.08081	2.0
147.11678	13.5
149.05988	4.3
149.09604	2.4
149.13237	9.1
151.11203	4.3
151.14796	2.1
153.09285	1.2
153.12744	2.6
155.10738	1.2
157.10133	1.7
159.11690	6.4
161.13274	12.3
163.11200	2.3
163.14830	4.5
165.09166	1.7
165.12769	3.2
167.10648	1.1
167.14276	1.7
169.10002	1.2
173.11783	2.0
173.13284	6.0
175.14871	4.3
177.05464	49.9
177.16376	2.5
178.05856	2.3
179.14310	3.4
181.12279	1.3
183.11700	1.4
185.13269	2.0
187.13370	2.0
187.14856	6.3
189.16396	1.8
191.14294	1.8
193.08492	1.2
195.13815	1.6
195.43011	1.3
197.13339	1.3
197.15195	1.1
201.16385	4.4
203.17970	2.9
209.15431	2.3
215.17957	1.3
223.16986	2.7
233.22720	2.0
235.13358	1.6
237.14980	1.7
243.21086	12.5
244.21631	1.1
247.13272	1.3
261.22122	30.5
262.22458	2.1
265.14502	1.2
277.21613	1.4
279.23169	100.0
280.23480	5.8
295.22888	1.2
297.18860	1.3
297.24176	25.6
298.24728	2.2
401.51117	1.1
415.42697	1.1
435.32623	2.5
521.43402	3.1
539.44629	10.9
539.52045	1.7
540.44977	1.2
557.45654	17.4
558.45795	2.6
562.29431	1.2
575.46637	8.1
576.47083	1.5
593.47687	3.0
611.33307	1.1
611.48175	2.4
629.33264	2.2
629.50037	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27073	1.0
53.03936	2.6
55.01862	1.2
55.05516	4.4
58.76488	1.2
65.03938	1.6
67.05493	9.9
69.03423	6.3
69.07067	1.1
69.17297	9.2
71.04993	3.2
76.78015	1.0
76.92143	0.9
79.05485	14.6
81.03420	8.6
81.07049	6.7
83.04961	5.2
85.02911	4.0
85.06545	1.5
91.05457	7.8
93.07043	6.9
95.04973	5.8
95.08602	2.9
96.69778	1.0
97.02892	1.6
97.06516	4.0
99.04447	4.4
105.07013	13.4
107.04949	27.1
107.08578	5.0
109.02883	3.8
109.06522	5.9
109.10149	36.0
110.36144	1.1
111.04457	3.5
115.05460	1.4
117.07021	2.4
119.08567	9.4
121.02851	2.7
121.06499	2.9
121.10140	2.2
123.04425	2.5
123.08072	1.7
125.05978	3.6
127.03942	2.3
128.05389	1.2
128.06242	4.7
129.07007	5.2
131.08549	11.4
133.06482	1.9
133.10120	13.4
135.04466	1.1
135.08078	2.7
137.05983	4.4
137.09607	57.0
138.10010	2.1
143.07047	2.1
143.08546	16.4
145.06544	1.1
145.10085	4.9
146.07260	2.7
147.08040	20.5
148.08414	1.2
149.05971	1.4
149.09608	3.3
151.03925	2.7
153.01843	2.0
153.05391	1.3
161.09607	100.0
162.09926	5.3
163.11220	4.4
165.09106	93.7
166.09442	4.2
167.07030	3.9
171.08070	2.0
174.06889	1.9
179.10661	9.6
181.04999	4.2
182.05281	1.3
189.09071	12.2
190.09380	1.0
191.10696	4.7
197.11807	2.8
207.10152	88.9
208.10539	3.2
209.08142	2.0
209.11697	17.4
225.11208	37.8
226.11494	1.9
227.12845	2.9
235.16624	1.3
243.12325	1.1
299.08954	1.3
315.58652	1.3
330.19434	1.3
369.15314	5.7
387.16498	27.1
388.16675	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.4569
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.6
55.01875	4.5
55.05510	52.1
57.07072	5.3
65.03936	2.7
67.05507	54.8
69.03428	5.4
69.07070	32.5
69.09668	21.0
71.05014	3.9
79.05492	34.0
81.07059	72.9
83.04977	4.6
83.08622	38.8
85.06554	5.8
87.75978	2.6
89.03942	6.7
91.05486	18.1
93.07045	41.3
94.29030	2.3
95.04999	6.0
95.08604	69.4
96.08910	2.6
97.06528	11.1
97.10165	49.1
105.07034	22.5
107.04968	2.8
107.08585	39.0
109.06512	3.9
109.10157	37.0
111.08081	7.6
111.11758	3.0
117.03399	20.6
117.07012	7.3
119.08578	23.7
121.06535	3.5
121.10139	36.2
123.08033	3.2
123.11702	12.5
125.09631	51.7
131.08554	13.1
133.10115	28.8
135.08092	7.1
135.11670	13.0
137.09641	5.6
137.13252	3.2
139.11188	17.8
145.02849	54.4
145.03923	4.7
145.10117	16.1
147.07993	2.7
147.11630	17.3
149.05988	7.2
149.09579	3.2
149.13313	8.9
153.09117	35.8
157.10185	4.5
159.11691	10.1
161.13283	8.5
163.03880	4.6
163.11203	3.8
163.14766	4.6
171.10135	3.7
173.11922	3.8
173.13336	8.5
175.14687	5.2
177.05464	100.0
187.14809	5.4
189.11229	57.1
189.16383	14.5
191.17998	2.6
193.12199	2.6
195.02698	3.8
201.14752	3.0
201.16356	14.5
202.40990	2.5
203.12756	3.2
203.17923	17.7
215.17964	10.6
225.45184	2.8
233.18996	10.7
245.18840	3.1
247.16960	3.4
251.20074	45.2
267.21173	3.4
269.21085	56.6
270.21490	3.3
273.18362	4.0
309.20792	3.1
327.21683	3.5
371.29462	3.7
389.30447	16.9
391.33777	3.8
403.28439	14.8
407.31537	26.4
408.31921	3.5
421.29337	13.6
422.29474	2.7
425.32675	33.5
426.33258	4.4
437.34125	10.5
439.30029	5.5
559.39886	51.0
560.40320	5.8
577.41071	27.5
595.41687	5.8
631.40851	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	630.4785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	6.2
57.06807	1.6
57.07078	29.7
63.28766	1.1
65.99610	1.2
67.05506	8.7
68.66589	1.0
68.93465	1.1
69.07072	6.3
69.48653	7.4
71.04966	1.2
71.08630	19.6
73.06562	6.7
75.38771	1.0
76.22047	1.0
77.80729	1.3
79.05476	3.8
80.70449	1.0
81.07056	9.4
83.08609	4.4
85.06529	1.9
85.10179	18.8
87.04472	8.0
89.06032	100.0
91.05465	3.2
93.07034	4.0
94.07360	1.1
95.08598	8.1
97.06511	1.5
97.10159	4.1
99.11725	3.4
105.07018	3.3
107.07070	2.8
107.08562	3.6
109.10139	4.8
113.13261	1.4
117.09133	9.1
119.08588	3.0
121.10129	4.7
125.09616	1.4
130.08635	2.5
131.07051	3.0
133.08606	47.0
133.10110	2.7
134.08910	1.9
135.10176	1.6
135.11739	1.9
137.09621	1.1
145.02751	1.4
145.09998	1.4
151.61491	1.4
155.17947	4.5
159.11684	1.3
163.03925	4.1
175.14816	1.8
177.05501	1.3
177.11230	15.3
199.20493	4.2
209.22694	1.1
217.58391	1.4
221.13823	3.7
226.44778	1.1
238.02182	1.2
243.23172	5.1
279.22937	1.9
283.17563	1.4
287.25784	2.9
297.23941	1.3
459.28345	1.7
472.71844	1.3
578.66498	1.2
613.45160	2.6
630.48505	1.4
631.36157	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	631.1285
Annotation	Isorhamnetin 3-(6''-galloylglucoside)
Peak:m/z	Relative Intensity
50.01597	0.2
50.30357	0.2
51.02367	1.0
53.03933	1.0
53.27853	0.6
55.01865	0.6
57.03431	0.4
65.03944	0.4
68.99786	0.4
69.03423	2.8
69.20518	2.0
71.04993	0.5
79.01849	4.3
81.03408	8.3
81.07062	0.3
82.03762	0.3
85.02895	2.4
91.05473	0.4
92.02620	0.6
93.03404	1.1
93.07032	0.3
93.18642	0.3
95.04955	0.2
97.02879	5.3
99.04439	1.1
107.01310	2.2
107.08580	0.3
109.02882	5.2
109.06503	0.4
121.02869	1.1
121.06400	0.3
122.69362	0.2
123.04427	1.0
125.02337	3.7
127.03906	4.7
131.04926	0.3
135.04422	0.3
137.02368	0.4
137.05960	1.9
139.03926	0.5
143.02245	0.3
143.03383	6.0
145.04932	0.9
147.04408	0.6
151.03902	1.1
153.01813	100.0
153.02876	5.6
154.02167	2.6
161.05998	0.4
163.03889	0.3
163.07504	0.4
165.01915	0.4
165.09175	0.3
167.07056	0.6
171.02867	7.4
173.09631	0.3
175.03928	0.3
177.05463	1.0
179.03371	0.4
187.07419	0.3
191.03398	0.3
201.05420	0.6
207.06514	0.7
217.04935	0.6
218.05728	0.4
228.04175	1.1
229.04976	1.9
231.02917	0.3
243.06503	0.4
245.04504	1.0
246.05202	1.5
256.03677	0.2
257.04486	1.1
261.07327	0.3
271.05984	0.3
273.03885	1.3
274.04663	3.3
278.40573	0.3
284.03342	0.3
285.03894	2.0
295.02246	0.4
297.06030	8.3
302.04172	10.0
303.04929	0.7
315.07108	2.1
317.06519	78.3
318.06818	4.3
359.07507	0.8
455.06223	0.4
479.09457	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.1865
Annotation	Leucodelphinidin 3-O-(beta-D-glucopyranosyl-(1->4)-alpha-L-rhamnopyranoside)
Peak:m/z	Relative Intensity
55.01868	1.8
65.03938	1.3
68.99781	1.7
69.03423	1.9
71.30358	1.1
74.00938	0.7
79.05457	0.7
81.03422	1.7
85.02897	6.6
93.03408	2.8
97.02863	1.8
103.03915	0.8
107.04951	0.9
109.02855	1.9
111.04448	8.8
121.02855	1.3
123.04430	3.9
127.03880	2.2
131.04890	0.7
135.04408	8.1
137.02347	10.6
139.03896	100.0
140.04245	2.1
145.04924	1.4
145.48486	0.6
147.04436	2.1
149.05969	1.8
151.03897	13.9
153.01823	1.9
163.03897	17.1
164.04208	0.8
175.03899	3.1
177.05434	4.7
179.03307	0.8
181.04961	12.4
182.05307	1.0
187.03944	1.0
189.05466	0.8
193.05025	2.5
201.05513	1.5
205.04939	11.5
217.04945	2.3
229.04984	1.3
235.05984	4.0
247.05904	5.2
261.07672	1.5
265.07031	4.9
267.06116	0.8
271.05826	1.3
283.08167	11.7
284.08456	0.8
289.07040	14.9
299.08743	0.8
301.06750	1.3
307.08038	9.6
313.06903	5.4
331.08145	5.4
355.08109	1.7
397.09238	1.0
415.10278	2.0
433.11420	3.4
437.36008	0.7
451.12143	1.7
503.25909	0.8
507.94022	0.8
643.46655	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.7
53.03948	1.5
55.01875	1.1
55.05512	2.0
57.03436	2.9
59.05008	0.2
59.40510	0.2
61.02928	0.3
65.03933	0.6
67.05505	1.7
68.99789	0.8
69.03435	3.5
69.07063	1.0
71.04990	0.7
73.02902	0.4
75.04482	3.0
77.03917	0.7
77.98734	0.3
79.05495	12.9
80.05842	0.2
81.03413	2.2
81.07059	3.7
83.04976	0.8
85.02896	2.6
85.06545	0.9
88.36028	0.2
90.86730	0.2
91.05481	11.6
91.52878	0.2
93.03395	0.3
93.07045	54.5
94.07369	1.2
95.02133	0.2
95.04960	3.6
95.08609	1.9
97.02889	1.6
97.06512	0.9
99.04458	1.1
101.02353	0.3
103.05466	0.6
105.04537	1.2
105.07026	6.5
107.04935	0.8
107.08593	10.2
109.02868	2.0
109.06510	1.0
109.10125	0.4
111.00811	1.1
111.04449	0.6
111.08089	2.8
113.05992	0.3
115.05473	0.3
116.06261	0.6
117.07003	0.6
119.08584	5.0
121.02837	1.3
121.06541	1.6
121.10144	57.9
122.06020	0.6
122.10468	1.9
123.04439	0.5
123.08063	0.9
123.11684	0.6
125.05984	0.7
127.03907	2.1
129.05536	0.3
129.07005	0.5
131.08568	3.3
133.06578	0.3
133.07628	0.6
133.10129	0.7
135.04419	0.4
135.08096	0.6
135.11717	0.7
137.02330	3.7
137.06026	0.4
137.09598	0.4
139.11179	1.5
140.07074	1.1
143.08592	0.4
145.04912	0.3
145.10143	1.4
146.06000	0.3
147.07997	0.5
147.11676	0.4
149.02354	0.7
149.09616	8.9
149.29289	0.3
150.09949	0.3
151.03952	0.3
151.07524	0.3
153.01822	4.1
157.10188	0.3
159.11708	0.3
161.05962	0.6
161.09644	0.4
163.03900	0.6
163.07497	0.5
163.11171	2.7
165.01846	2.2
166.02583	0.3
167.07001	0.8
167.10670	3.1
169.08614	2.6
171.32182	0.2
172.03850	0.5
173.06017	0.4
173.09630	0.6
174.05449	0.5
175.11203	0.3
176.06990	0.3
181.12216	0.9
183.02869	1.4
187.03935	0.4
191.10684	1.8
195.02884	0.6
201.05487	1.7
204.06558	0.7
206.08142	0.3
209.11708	2.0
213.05499	0.3
213.11212	0.8
219.06470	0.4
227.12874	3.9
229.04959	5.1
229.12215	0.3
230.05533	0.3
239.03514	0.3
247.05995	0.8
247.13354	0.4
257.04449	2.8
269.13150	0.4
271.10693	0.3
274.04840	0.7
275.05423	0.3
283.10678	0.3
284.11813	0.3
285.03992	1.1
286.04422	0.4
287.14059	0.9
293.13797	0.7
303.04977	100.0
304.05341	5.4
311.14890	5.1
312.15164	0.5
313.11914	1.1
315.04868	1.9
316.14355	0.3
327.04779	0.4
329.15869	2.0
330.15894	0.4
331.16800	0.4
342.12317	0.3
345.06042	1.4
345.14587	0.3
353.15991	1.3
356.13989	0.3
358.15451	0.4
369.05774	0.5
371.16812	1.4
377.97067	0.3
384.13287	0.5
398.15015	0.5
399.15735	0.9
400.16522	1.5
403.26895	0.3
411.06870	0.8
417.16962	0.3
418.17459	0.4
429.08401	0.3
458.17023	1.6
459.17725	1.1
485.23026	0.5
557.23999	0.4
599.25000	4.0
600.24762	0.5
631.29053	0.3
631.37085	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.202
Annotation	Eucalmaidin D
Peak:m/z	Relative Intensity
51.02380	0.3
53.03947	2.0
55.01876	1.0
55.05507	1.8
57.03432	2.0
60.97322	0.3
61.02916	0.6
61.34924	0.4
65.03949	0.8
67.05504	1.5
68.99796	0.8
69.03429	3.0
69.07056	1.0
69.71268	1.5
71.04984	0.6
73.02896	0.3
75.04465	2.2
76.02203	0.4
77.03918	0.5
77.35526	0.3
79.05493	12.9
81.03427	2.8
81.07053	3.7
83.04963	0.4
85.02919	2.4
91.05479	10.7
92.05860	0.4
93.03407	0.7
93.07046	55.2
94.07374	1.2
95.04972	3.7
95.08610	1.7
97.02898	1.9
97.06529	0.9
99.04472	0.7
103.03947	0.5
103.05490	0.8
105.04514	1.2
105.07030	6.6
107.04939	0.7
107.08596	10.2
108.08138	0.3
109.02878	1.2
109.06532	1.0
109.10167	0.4
110.65822	0.3
111.00796	1.3
111.04403	0.4
111.08086	1.9
114.62100	0.3
115.05438	0.4
116.06216	0.7
117.07030	0.6
119.08586	4.7
121.02876	1.3
121.06548	0.9
121.10146	55.7
122.10475	2.2
123.04440	0.6
123.08051	1.6
123.11726	0.5
124.85862	0.3
125.06011	0.3
127.03970	1.6
129.07022	0.5
131.08560	3.1
133.06564	0.4
133.07536	0.4
133.10153	0.8
135.08095	0.5
137.02344	3.9
139.11140	1.6
140.07069	0.9
143.08534	0.5
145.10106	1.7
149.02374	0.7
149.08473	0.7
149.09624	8.0
152.50507	0.3
153.01822	4.5
156.04422	0.3
157.10242	0.4
161.09630	0.5
163.03937	1.2
163.07507	0.4
163.11253	1.9
165.01884	2.3
167.07042	0.5
167.10674	2.3
169.08633	1.3
169.09929	0.4
173.06009	0.6
174.05515	0.7
175.14868	0.3
183.02908	1.2
183.04391	0.4
187.04016	0.4
187.14815	0.4
191.10664	1.1
191.14343	0.4
201.05486	2.6
204.06606	0.6
209.11687	0.8
227.12929	1.6
229.04951	5.5
229.12250	0.4
240.10786	0.3
247.06013	0.9
257.04419	2.7
269.13077	0.7
274.04819	0.9
283.10834	0.4
285.03873	1.8
287.14008	0.5
293.13751	0.4
303.04987	100.0
304.05350	4.9
311.14856	4.8
313.11932	0.9
315.05142	1.7
329.15948	2.0
330.16077	0.4
345.05917	1.4
353.15881	0.9
369.06216	0.8
371.17001	0.6
384.12970	0.4
399.15692	0.9
400.16510	0.7
405.31525	0.5
411.06955	0.8
458.16882	1.0
459.18048	0.4
485.23135	0.7
599.25177	2.3
631.37256	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.8
53.03939	2.2
55.01864	2.6
55.67540	0.8
57.03444	0.9
57.31582	0.8
61.57914	0.8
61.81621	0.8
65.03941	1.9
67.05495	0.9
73.93003	0.8
75.04474	2.3
78.04698	3.6
78.41280	0.8
79.05478	3.1
81.03836	0.7
85.02892	1.2
91.05473	11.3
93.03407	7.2
93.07043	7.4
95.04976	4.3
97.02863	0.8
97.06513	1.9
103.05460	7.8
105.03384	1.2
105.04513	1.6
105.07017	4.9
106.04173	16.1
106.04824	1.5
107.04967	1.5
107.08543	0.8
109.06506	1.3
111.04445	1.0
118.04169	0.9
119.04932	1.3
121.06504	25.8
122.06799	1.1
123.04430	5.7
124.05218	2.1
125.05953	4.4
131.04889	2.9
133.06557	3.8
133.10138	1.0
134.03629	2.9
135.04361	0.9
137.05969	3.2
138.06746	1.6
139.03876	1.5
139.07521	2.3
146.93108	0.7
147.04456	0.9
148.05162	2.7
149.05974	33.5
150.06787	1.7
151.03891	1.2
151.07533	4.2
152.04654	0.7
152.32423	0.7
153.05467	1.4
153.09082	5.7
154.06287	1.9
154.86917	0.7
161.05956	3.1
163.03781	0.7
163.07538	3.4
165.05473	2.3
165.09160	1.5
166.06282	3.8
167.07031	100.0
168.07378	3.6
172.25766	0.8
177.05461	18.1
179.07030	1.3
180.07735	0.9
181.04962	11.2
181.08583	40.7
182.05447	0.8
182.08990	1.5
191.06998	3.2
193.08595	12.5
194.93379	0.8
207.67148	0.8
209.08076	67.7
210.06802	0.8
210.08546	5.5
211.09630	37.8
212.10062	1.9
237.11143	2.2
257.82227	0.9
275.70956	0.8
363.46158	0.8
382.33810	0.9
469.63116	0.8
513.28070	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.5
55.05506	0.8
65.03950	0.9
67.05506	2.1
68.05038	0.8
69.03438	0.7
69.07069	7.2
69.19040	4.0
71.84318	0.5
79.05502	1.1
79.14029	0.4
80.05026	0.7
81.03404	0.5
81.07063	1.6
85.02905	1.2
88.03779	0.5
91.05484	1.3
92.05027	0.5
93.05798	0.7
93.07043	1.8
94.06566	7.1
95.04966	1.9
95.08600	1.2
104.05033	0.8
105.07060	1.3
107.04955	1.8
107.08592	1.6
108.05360	0.5
108.08131	1.9
109.06518	0.7
109.10175	1.3
110.06042	0.9
112.07618	1.7
116.04984	1.3
118.06554	0.8
119.08574	0.5
120.04432	0.6
120.08107	0.5
121.10158	1.0
122.06024	21.7
123.04429	6.0
123.06369	0.6
123.11711	0.6
129.07040	0.8
133.06531	0.7
133.10155	0.7
134.05984	2.3
135.04442	0.7
136.07591	0.7
137.05994	1.1
139.03870	3.2
140.07054	40.2
144.03514	0.5
144.04454	3.4
144.08118	0.6
145.06445	0.4
146.06003	14.6
146.07167	0.7
147.04437	0.5
147.06723	1.8
148.07564	2.7
149.13229	0.5
151.03911	1.3
151.07611	0.6
152.07137	0.9
161.05986	1.3
162.05440	2.9
163.06255	0.8
164.07071	0.7
165.09073	0.4
167.07161	0.6
172.03928	20.0
172.07603	0.8
173.04663	3.1
174.05496	19.4
175.05995	0.7
176.07047	7.4
181.08826	0.6
184.09966	0.8
186.09190	0.7
187.08772	0.5
188.07115	0.8
190.04985	4.0
191.05780	1.3
192.06520	2.3
197.10771	1.8
199.08626	0.9
199.12383	1.8
203.07114	1.0
204.06549	38.6
205.07103	1.0
206.08128	12.6
206.09961	0.9
209.10777	1.1
210.09193	1.5
210.11322	0.7
211.08611	2.2
212.09444	1.4
213.10242	1.1
214.11063	0.6
216.10277	0.7
223.08675	1.3
223.12321	0.8
224.09505	1.6
225.10210	6.2
226.08775	0.7
226.10968	1.5
227.08380	0.8
227.11768	16.0
234.11584	0.5
235.08701	0.8
235.12328	0.5
237.10185	3.2
238.11049	2.0
239.11755	4.2
240.12425	0.8
241.09779	1.4
241.13400	1.4
243.11353	0.8
244.09731	0.5
249.10239	2.6
250.11053	1.5
251.08092	0.9
251.09637	0.5
251.11809	3.5
252.12479	0.7
253.09787	3.2
253.13252	0.7
255.07761	1.0
255.11261	0.8
261.12369	2.8
263.08279	1.8
263.11829	2.3
264.08810	1.3
264.12479	0.6
265.09753	3.7
265.12341	0.5
267.11288	3.0
269.12817	11.1
270.10135	0.5
270.13251	1.1
271.10718	4.9
277.09729	1.7
278.10480	0.7
279.10995	2.5
281.09232	0.8
282.31381	0.5
283.10773	9.7
284.11478	5.4
285.12311	5.8
286.12845	1.2
287.13882	30.6
288.14255	1.9
289.13528	0.8
291.11371	1.1
293.12769	0.5
295.10815	2.1
296.11673	1.3
297.12213	4.0
298.13443	0.5
300.11905	0.9
301.07016	0.6
301.12289	3.5
302.12894	1.4
307.10992	0.5
309.12332	1.1
311.14105	0.9
312.15076	1.4
313.11792	36.1
314.12216	4.1
315.13654	3.2
316.14426	7.0
317.15213	1.1
319.10971	0.6
323.10373	2.3
323.14081	1.3
324.10895	1.3
325.11719	0.7
326.16684	1.0
327.13770	1.3
327.17471	1.0
328.10919	0.9
328.11649	0.5
328.14514	2.8
329.12033	2.9
329.14737	3.0
330.12280	2.6
330.16095	6.4
331.12946	9.2
331.16824	7.9
332.17340	1.3
336.11255	0.6
337.11774	1.8
338.12842	1.0
339.13962	0.7
340.14828	0.9
341.12070	0.8
342.12494	5.9
342.16101	1.6
343.13043	3.9
343.16748	0.6
344.13806	1.9
344.17664	6.3
345.14417	19.6
345.18405	1.0
346.14917	1.9
346.19299	0.9
352.14563	0.9
353.15335	0.9
354.12381	1.3
354.16107	2.0
355.13232	2.1
356.13861	5.0
356.17426	0.9
357.14713	3.5
358.15469	8.7
359.16071	1.0
363.15649	1.4
366.15790	0.5
367.13043	1.7
368.13788	1.3
368.17767	0.9
369.10623	0.8
369.14691	1.6
370.11703	1.8
370.15570	4.4
371.12158	0.8
371.16202	2.1
372.17105	4.7
374.18784	1.1
380.13953	1.3
381.15457	0.5
382.11426	2.9
382.16104	0.9
383.12549	2.5
384.13315	12.6
385.14081	4.8
386.14493	5.2
386.19421	2.3
387.15778	1.1
388.16653	1.5
390.18048	5.0
391.18668	0.7
392.19876	0.5
394.15479	1.0
397.14514	0.7
398.14920	17.4
399.15750	24.2
400.16522	34.8
401.17169	3.0
402.14038	2.6
403.19165	0.7
412.16409	2.3
413.17398	0.8
414.18164	6.0
415.18845	2.1
416.15704	2.7
417.16696	6.9
418.17554	9.2
419.17947	0.9
422.14981	0.9
430.17612	3.2
431.18390	1.8
440.16177	6.2
441.16718	1.8
442.17737	0.9
444.15369	3.1
458.17068	36.1
459.17783	20.2
459.24561	0.5
460.18405	5.9
476.18063	0.6
478.19894	0.7
490.19583	4.9
491.20538	3.3
508.20844	6.9
509.21420	1.7
510.22336	5.0
511.22772	0.6
539.22925	0.6
555.26306	1.5
557.24072	4.0
581.23749	7.1
582.24133	1.1
599.24969	100.0
600.25287	16.0
631.26385	3.0
631.36926	2.6
632.28729	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34427	1.1
53.03940	2.2
55.01866	2.6
55.05503	3.3
57.03423	1.1
65.03933	2.0
67.05497	5.3
69.03425	4.6
69.07070	6.6
69.62218	1.9
69.62634	4.9
71.04990	2.7
71.57103	1.1
72.91187	1.1
79.05479	6.7
80.04992	1.4
81.03397	2.9
81.07071	9.1
83.04984	3.7
84.08140	2.7
85.02902	6.3
85.06541	2.0
91.05499	7.4
93.07046	8.7
94.06562	8.6
95.04955	5.5
95.08607	5.8
97.02913	3.6
97.06519	2.2
99.04418	1.5
103.05444	2.2
105.07027	9.3
106.07323	1.3
107.04967	2.5
107.08601	7.1
108.08097	1.5
108.45757	1.3
109.02912	2.9
109.06529	2.9
109.10142	6.2
110.06055	1.4
111.04441	1.6
112.07570	2.8
112.63145	1.4
115.05466	1.3
116.04978	2.4
119.04926	3.0
119.08550	5.9
121.02844	4.4
121.06454	2.7
121.10156	7.6
122.06029	23.3
123.04452	6.3
123.11678	1.8
124.07555	1.6
125.05964	1.5
127.03912	3.3
129.40897	1.2
131.04907	1.9
131.08582	3.7
133.10124	5.0
134.06024	2.1
135.04459	2.0
135.11641	2.8
136.07587	2.1
137.05969	10.1
137.09589	3.1
138.06357	2.1
139.03883	3.9
140.07050	37.6
143.08517	1.9
144.04449	3.4
145.10101	3.1
146.05977	14.2
147.04369	2.7
147.06764	1.6
147.11676	2.9
148.07567	4.0
149.05966	1.7
149.09645	4.9
149.13208	1.5
151.03882	9.0
151.04892	1.2
151.07584	2.4
152.07033	2.3
153.01793	4.8
153.05518	1.3
154.08694	1.4
159.11697	1.7
161.05957	1.8
161.09608	4.8
161.13251	2.6
162.05499	3.7
162.09940	2.4
163.03915	3.3
163.06195	1.3
163.07544	1.2
163.11157	3.2
165.05508	2.2
165.09096	5.0
167.07027	17.0
169.08676	2.7
172.03944	20.1
173.04636	2.7
173.13242	1.4
174.05498	19.7
175.05914	1.5
176.07104	7.0
177.05489	1.9
179.14256	1.7
182.09665	1.5
185.13292	1.7
187.14810	2.3
189.05391	1.5
189.09119	5.5
189.16393	2.1
190.05022	4.8
191.05695	3.0
191.10632	2.2
191.14296	1.3
192.06616	1.9
196.09961	3.2
197.10809	2.2
199.08626	1.7
199.12296	2.9
201.09087	1.8
201.16470	2.0
203.10709	2.0
204.06551	39.1
205.06836	1.9
206.08154	14.6
207.10161	1.9
208.10468	2.0
211.12311	1.3
212.09435	1.3
224.09390	1.7
225.10114	6.4
226.11066	2.9
227.11757	16.0
236.09544	2.0
237.10239	3.0
238.10918	1.8
239.11781	7.5
241.09596	1.7
249.10172	3.5
251.08083	1.7
251.11778	3.3
253.09644	1.8
253.13356	2.9
254.14006	1.4
261.09952	1.4
261.12363	3.4
263.11844	2.8
264.08890	2.0
265.09766	2.9
267.11261	3.8
269.12878	13.7
271.10785	6.6
277.09650	2.3
279.11179	2.9
283.10782	9.7
284.11411	6.6
285.12268	7.7
287.13873	31.0
288.14160	3.0
295.10544	1.9
296.11493	1.6
297.12405	4.4
299.09134	2.0
301.12061	5.8
303.04935	5.3
309.12357	2.2
312.15085	1.8
313.11774	40.0
314.12735	4.4
315.08594	1.5
315.13687	2.6
316.08524	1.7
316.14456	8.1
323.10437	1.6
326.16440	1.7
327.14044	1.5
328.10861	1.6
328.14487	3.2
329.11472	2.4
329.15048	2.3
330.12253	4.0
330.15982	6.5
331.12851	11.7
331.16745	8.3
332.17133	1.6
337.12000	1.4
342.12289	7.2
342.16003	1.8
343.13071	5.7
344.13748	2.6
344.17520	9.1
345.14462	19.3
352.14627	1.6
354.11963	1.5
355.13593	2.8
356.13855	7.2
357.14868	3.7
358.15378	10.1
370.15396	4.6
371.16525	1.9
372.16992	4.6
380.14114	1.3
382.11703	3.5
383.12527	3.0
384.13339	13.4
385.13947	5.5
386.14557	5.9
386.18796	3.7
388.16531	1.7
390.17987	4.6
398.14902	16.8
399.15781	25.6
400.16525	40.3
401.16611	3.8
402.14371	4.1
412.16806	2.1
414.18045	6.0
415.18680	1.8
416.16119	2.5
417.16745	7.3
418.17566	10.0
430.17346	4.2
431.18198	2.3
433.33142	2.3
434.33313	2.1
440.16061	5.9
444.15582	3.0
451.33975	4.8
452.34634	10.4
458.17075	50.3
459.17828	32.1
460.18500	7.9
490.19873	9.5
491.20349	5.1
555.25800	1.7
557.23755	4.0
581.23950	11.8
582.23865	1.9
599.24969	100.0
600.25244	14.4
631.27460	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	631.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
53.85520	0.8
55.01875	0.8
55.05515	1.4
65.03967	0.8
67.05511	3.4
69.03424	1.3
69.07069	5.7
71.32105	1.0
72.62335	0.7
76.44276	0.7
76.80843	0.7
79.05515	4.0
81.03418	2.2
81.07054	4.4
83.08659	1.0
84.08113	0.8
85.02911	1.3
85.06551	0.9
91.05478	1.5
93.07056	5.2
94.06577	8.2
95.04975	2.8
95.08589	1.9
97.02901	1.9
97.06551	2.0
97.10184	1.0
99.04460	0.9
100.56660	0.7
103.05496	1.0
105.07059	2.6
107.04971	3.2
107.08575	4.0
108.08121	4.2
109.02831	0.9
109.06506	1.4
109.10151	1.9
112.07606	1.3
116.04994	2.4
118.06614	0.8
119.08560	1.5
120.09135	0.8
121.06546	1.1
121.10160	3.8
122.06023	19.8
123.04451	2.5
127.03821	0.9
133.10118	1.6
133.95212	0.8
134.06007	2.6
136.07623	1.7
137.05998	2.7
139.03955	0.9
140.07062	32.4
141.07451	0.8
144.04462	5.9
144.08061	1.1
145.04816	0.9
145.10075	0.8
146.06003	14.7
147.04382	1.3
147.06772	1.2
148.07565	2.4
149.09648	1.1
151.03940	1.8
151.07590	0.9
152.07069	1.0
153.01808	4.9
154.02049	1.0
161.05966	1.1
161.13126	0.9
162.05528	3.3
162.22993	0.8
163.06339	0.9
163.07552	1.9
163.11174	1.0
165.05574	0.8
167.03464	1.4
167.07079	4.8
169.08661	1.1
172.03941	28.6
172.07581	1.1
173.04492	1.7
174.05519	10.8
176.07043	7.6
178.08569	1.4
181.05112	1.3
181.08661	1.3
182.09706	1.5
186.09105	1.2
190.05031	3.3
192.06584	1.5
193.08676	1.0
195.10306	0.9
197.10802	1.7
199.08694	1.1
199.12286	1.7
204.06564	48.1
205.06895	2.1
206.08131	21.1
206.09969	1.4
207.08453	1.1
209.11035	0.9
210.09340	1.8
210.11440	1.8
211.08708	3.3
211.12236	1.7
212.09311	1.6
213.11421	1.7
216.10210	1.0
221.10823	1.0
223.12360	1.6
224.09375	1.7
225.10155	7.4
226.10965	1.1
227.11743	13.2
237.10191	4.0
238.11012	2.3
239.08380	0.9
239.11774	3.8
241.09718	2.4
241.13356	0.9
243.11259	1.0
249.10284	2.7
251.11862	3.4
253.09727	3.8
253.13446	1.4
255.07820	1.1
255.11330	1.2
261.12338	2.9
263.11978	4.6
264.08966	1.9
265.09686	3.9
266.10544	1.6
267.11310	2.4
269.12830	9.8
271.10660	4.3
277.09775	3.2
279.11343	3.6
281.09195	1.2
283.10794	10.5
284.11444	7.3
285.12228	4.4
287.13913	29.2
288.14609	1.5
291.11380	2.5
295.10748	2.9
297.12234	4.0
299.09027	1.3
300.12173	2.1
301.12177	3.5
302.12842	2.0
309.12390	4.2
310.13303	1.4
312.12180	1.2
312.15366	1.4
313.11749	14.2
314.12979	4.0
314.16528	0.9
315.13812	3.3
316.14365	5.0
317.09866	0.9
317.14932	1.3
323.10333	2.0
323.13901	1.9
326.16519	2.5
327.13721	1.0
327.17383	1.0
328.14566	4.0
329.11542	4.5
329.15280	3.0
330.12241	2.7
330.16034	8.5
331.12930	7.1
331.16800	10.6
332.17316	1.6
336.11053	2.2
337.11774	2.8
339.14203	1.0
340.14673	1.0
342.12476	6.7
342.15982	1.7
343.13101	3.8
344.13824	2.2
344.17593	6.5
345.14465	24.5
345.18100	1.3
346.14832	2.1
354.12329	1.3
354.16422	1.4
356.13971	5.7
357.14783	4.3
358.15521	11.9
359.15884	0.8
363.15646	1.1
366.12262	1.1
367.13113	1.8
368.13702	3.6
369.14627	3.6
370.11655	2.2
370.15622	5.7
371.16833	1.3
372.17007	6.0
380.13977	1.5
382.11850	3.1
383.12756	2.3
384.13312	14.7
384.17780	1.4
385.13901	4.7
386.14233	4.6
386.18649	3.1
388.16510	1.9
390.18195	7.3
391.18771	1.5
398.15015	17.6
399.15747	25.8
400.16525	36.8
401.16833	2.7
402.14496	2.2
409.46939	0.8
412.16617	2.1
413.17017	1.0
414.18057	5.3
415.18719	3.1
416.16010	2.5
417.16800	8.3
418.17578	12.5
419.17975	1.2
430.17679	3.0
431.18414	2.4
440.16080	5.0
441.16699	2.1
442.17068	1.1
444.15564	2.7
453.14111	1.0
458.17114	47.5
459.17831	31.4
460.18527	9.6
461.18671	1.0
478.20123	1.9
490.19659	11.5
491.20346	6.3
508.20688	3.2
510.22308	1.5
555.25800	2.7
557.23975	4.5
581.23969	9.6
599.24994	100.0
600.25323	15.3
631.27252	13.3
631.36414	3.9
632.27112	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	631.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.4
55.05513	2.3
57.03452	2.3
59.61276	0.9
61.74270	0.9
65.03945	1.2
67.05499	3.7
68.76371	0.9
69.03420	5.4
69.07067	6.7
69.42303	6.5
75.04482	1.8
79.05492	14.6
81.03422	3.0
81.07064	4.5
85.02905	4.5
85.42059	0.9
91.05473	13.6
91.53047	1.0
93.07041	58.7
94.06576	5.2
94.07379	1.5
95.04969	4.2
95.08622	3.5
97.02895	3.1
99.04469	1.4
100.42886	1.0
103.05443	1.3
105.04516	1.2
105.07041	10.1
107.08585	12.7
108.08146	1.4
109.02875	1.8
109.06519	1.6
109.10149	2.5
110.06006	1.3
111.00822	1.3
111.08097	2.5
112.07628	2.0
117.07026	1.5
119.08580	9.0
121.06538	1.5
121.10139	59.7
122.06027	17.8
122.06850	1.6
122.10490	2.5
122.67725	1.0
123.04456	2.9
123.11710	1.7
127.03934	2.5
129.07089	1.2
131.08568	5.2
133.10133	1.8
134.06047	2.0
137.02356	3.7
137.09653	2.7
139.11203	1.3
140.07062	28.1
143.08571	2.1
144.04485	3.8
145.04913	1.7
145.10081	3.4
146.06001	11.5
147.08003	1.4
147.11679	1.8
148.07559	2.8
149.09586	9.1
149.13271	1.2
152.07108	1.8
153.01848	4.4
159.11748	1.3
162.05467	2.8
163.03958	1.2
163.11174	2.1
165.01814	2.6
167.10696	4.3
172.03926	15.3
173.04747	2.5
173.13271	1.6
174.05495	18.9
175.11182	0.9
176.07089	5.4
181.08595	1.4
185.13322	1.1
187.14842	3.4
189.16365	3.6
190.05013	3.6
191.05754	1.7
197.10754	1.1
199.12263	1.4
199.14806	1.9
201.05446	1.5
203.17970	1.2
204.06555	29.3
205.06863	1.3
206.08110	9.4
211.08545	2.2
212.09435	1.3
213.10199	1.1
215.17973	1.1
217.15919	2.6
220.50555	1.2
223.12288	1.3
225.10255	5.7
227.11687	11.0
228.12265	1.3
229.05003	6.9
235.08598	1.4
236.09041	1.1
237.10150	2.3
238.10982	1.9
239.11758	2.9
241.09837	1.0
249.10286	1.5
251.11868	2.8
253.09789	1.5
257.04562	3.1
259.20438	1.3
261.12247	1.7
263.08267	1.5
263.11655	1.6
264.08786	1.4
265.09851	2.4
267.11273	2.1
269.12823	12.0
271.10785	4.5
277.09845	2.4
278.10495	1.7
283.10715	8.7
284.11453	4.8
285.12238	5.4
287.13858	21.1
291.11136	1.5
295.10681	2.1
297.12421	1.5
301.12119	2.1
302.12692	1.5
303.04965	100.0
304.05261	8.9
309.12643	2.1
311.14951	4.9
313.11768	34.4
314.12683	3.2
315.04904	1.5
315.13300	2.3
316.14450	5.7
323.10437	1.4
324.10843	1.1
326.16577	1.8
327.13861	1.5
328.10858	1.1
328.14529	3.0
329.11633	2.2
329.15408	3.7
330.12372	2.9
330.16074	4.5
331.12894	5.7
331.16748	3.6
332.13690	1.4
332.17523	1.5
336.11163	1.7
336.40442	1.1
337.11884	1.3
342.12479	4.9
342.16153	1.8
343.13257	3.0
344.13898	1.5
344.17612	4.2
345.06451	1.3
345.14447	12.1
346.15115	2.2
356.13867	4.1
357.14813	3.2
358.15433	8.0
359.15854	1.6
365.11075	1.1
368.13623	1.8
370.15427	3.0
371.16437	1.5
372.17130	3.6
382.11789	3.6
383.12924	3.8
384.08353	1.5
384.13358	13.2
385.14050	4.1
386.14935	3.8
388.16574	2.2
390.18042	3.9
398.14987	12.4
399.15717	20.1
400.16513	28.6
401.17038	2.2
402.14084	1.8
412.16168	1.5
414.18262	5.3
416.15939	1.9
417.16895	5.8
418.17557	9.0
422.14536	1.6
430.17581	2.2
440.16116	3.7
441.16226	1.4
444.15604	1.5
458.17108	39.8
459.17886	21.5
460.18887	7.9
490.19650	5.7
491.20193	3.6
557.23834	3.0
581.24133	8.0
599.24976	67.1
600.25220	12.1
631.27557	2.1
631.36816	9.2
632.37152	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	631.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.9
53.45810	0.7
53.77962	0.7
55.01868	0.8
55.05529	3.4
57.07079	1.9
59.05002	100.0
60.05337	0.9
65.03941	1.2
67.05512	5.9
69.02279	3.5
69.02703	3.6
69.03447	0.7
69.07075	2.0
71.05002	2.4
79.05489	7.2
81.03416	1.2
81.07052	7.6
83.04992	1.5
83.08627	0.9
85.06564	1.4
87.38174	0.6
91.05473	8.5
92.36588	0.6
93.07041	7.3
95.04980	3.3
95.08614	3.8
97.06551	2.5
97.10151	0.9
98.23273	1.5
102.25015	0.8
103.05442	0.8
105.07000	4.8
107.04990	1.1
107.08597	4.6
109.06536	4.9
109.10188	2.2
111.08091	1.1
113.06042	2.3
114.04645	0.7
119.08576	4.7
121.06554	1.8
121.10141	5.7
123.08112	2.3
123.11741	1.8
125.06016	1.0
125.09626	1.0
131.08562	3.4
133.06496	1.1
133.10197	3.0
134.10519	1.2
135.08081	1.5
135.11723	0.9
137.06020	3.0
137.09639	3.0
139.11205	2.1
141.05408	1.8
143.08673	1.2
145.10182	1.0
147.08122	2.3
149.09619	3.7
151.07571	0.9
151.11224	2.5
153.05524	2.7
157.10100	1.0
159.08075	0.8
159.30690	0.8
163.11198	0.9
165.09114	4.6
167.10667	4.8
169.05118	1.0
175.07568	2.0
189.09105	1.4
189.64804	0.8
191.07079	2.0
193.08594	9.0
194.09045	1.0
203.07243	0.9
205.08670	2.9
206.08876	0.9
207.10153	1.5
209.08139	1.4
211.09654	17.2
212.10017	1.0
219.10153	1.5
221.08167	2.0
223.09753	2.0
225.11241	1.6
226.11543	0.8
231.10257	2.8
237.14868	6.2
245.11813	1.1
247.13364	1.1
249.11319	3.2
251.09154	0.8
256.48761	0.7
257.11969	1.1
259.13300	0.9
263.13226	0.9
265.14459	2.5
271.13400	1.2
275.12732	1.0
283.13385	2.1
289.14697	0.8
297.11099	0.9
301.14352	3.6
315.15909	0.7
319.15463	6.0
359.18588	1.6
359.86377	0.7
373.20285	3.4
377.19806	2.9
395.21185	1.4
429.22784	2.9
431.24377	1.1
447.23962	1.0
555.29022	3.6
595.33344	1.6
613.33960	8.5
614.34290	0.9
631.35419	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78376	0.3
53.03950	0.6
55.01878	0.9
59.05001	100.0
60.05338	1.2
60.58826	0.3
67.05511	1.2
69.03440	0.6
69.07207	2.6
69.07621	0.7
71.04993	1.8
79.05486	3.3
79.05907	0.4
81.07055	4.2
83.01370	0.5
83.05015	0.6
91.05473	3.4
93.07047	1.6
95.04989	1.3
95.08626	0.7
97.06542	0.9
104.53842	0.3
105.07057	1.2
107.08611	0.8
109.06514	3.4
109.10193	0.5
111.08058	0.4
113.05994	1.7
117.07056	0.4
119.04933	0.4
119.08607	1.3
121.06538	0.9
121.10156	1.3
123.04464	0.5
123.08071	1.7
125.05982	0.4
128.06253	0.4
129.07059	0.4
131.08588	0.9
133.06573	0.5
133.10130	0.8
135.08037	0.8
137.06013	1.1
137.09653	1.2
139.11247	1.5
141.05502	0.8
143.08511	0.5
145.06578	0.4
145.10213	0.4
145.96138	0.4
147.08025	1.5
149.06052	0.5
149.09656	0.7
151.07626	0.4
153.05469	1.5
159.08107	0.5
161.06073	0.4
161.09679	1.1
163.07591	0.6
165.09148	2.1
167.10742	0.9
175.07631	1.0
183.10309	0.3
185.09665	0.5
187.07607	0.6
189.09149	1.1
191.07031	1.5
192.07782	0.6
193.08609	4.6
193.10136	0.4
197.09671	0.3
203.07051	0.4
203.10739	0.6
205.08633	1.6
207.10242	1.3
209.08069	0.5
211.09615	5.4
212.10110	0.4
213.09227	0.8
213.12773	0.6
219.13885	0.4
221.08205	1.3
225.09267	0.4
231.10147	2.9
235.13397	0.8
237.14841	3.0
241.12263	0.5
245.11824	0.6
247.13400	0.7
249.11227	2.7
249.14857	0.4
255.13841	0.6
257.11569	1.4
259.13425	1.0
263.12973	0.8
265.12091	0.4
265.14426	1.7
268.45215	0.3
273.14996	0.7
275.12833	1.1
283.13269	2.6
285.14798	0.4
301.14340	3.9
302.14694	0.4
319.15332	5.8
320.15942	0.5
355.19189	0.6
373.19958	3.3
379.29138	0.4
385.16278	0.4
429.23065	0.9
485.25699	0.5
537.28625	0.5
555.29413	2.9
619.99634	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.0
59.05006	100.0
60.05345	1.3
67.05511	0.9
69.03431	0.5
71.05008	1.5
79.05514	2.3
81.07059	3.8
81.43027	0.4
83.04994	0.5
87.03349	0.4
91.05482	2.3
93.07075	1.4
95.04967	0.8
95.08601	0.5
105.07062	1.5
109.06532	3.7
113.06046	1.4
119.08623	0.8
121.10175	0.7
123.08108	1.1
133.10141	0.6
135.08067	0.8
137.06058	0.8
137.09628	1.0
139.11159	0.7
143.08575	0.5
145.10162	0.7
147.08101	0.8
149.09679	0.9
153.05524	1.2
157.05070	0.4
159.08112	0.5
161.09627	1.0
163.07603	0.6
165.09174	1.4
167.10765	0.5
175.07582	1.1
177.09122	0.5
179.10732	0.4
189.09198	1.1
191.07127	1.2
192.07933	0.5
193.08609	3.4
203.10760	0.5
205.08749	2.0
207.10243	1.2
209.08211	1.0
211.09639	6.5
211.11288	0.5
212.08357	0.5
213.09100	0.6
219.13832	0.6
221.08141	1.0
223.09634	1.0
229.08864	0.6
229.12192	0.4
231.10161	2.2
234.07773	0.4
237.14865	2.3
239.10675	0.6
241.12277	0.6
245.11612	0.7
247.13399	1.1
249.11264	3.0
257.11856	1.1
263.12909	1.2
265.14523	1.6
273.14951	0.5
275.12933	1.6
283.13293	2.0
285.14844	0.9
301.14331	4.5
303.16049	0.5
319.15390	6.9
320.15823	0.9
355.19299	0.7
373.20255	3.7
429.22574	0.7
467.23816	0.7
470.53149	0.4
485.25699	0.5
555.29419	4.3
556.29797	0.6
654.16644	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
55.01886	0.6
55.05511	0.7
57.95906	0.3
59.05000	100.0
60.05339	1.0
67.05511	1.2
69.03442	0.6
69.07088	0.4
70.57040	0.4
70.57386	0.8
71.04981	1.7
79.05499	3.2
81.07047	4.6
81.07436	0.4
83.01362	0.7
83.04989	0.8
91.05476	3.4
93.07061	1.1
94.03123	0.3
95.04984	1.4
95.08626	0.8
97.06532	0.9
105.07052	1.7
107.04964	0.4
107.08614	0.8
109.06527	4.2
109.10124	0.4
113.05998	1.9
115.05516	0.4
117.07049	0.6
119.08588	1.5
121.06532	1.0
121.10131	0.8
123.04494	0.4
123.08076	1.8
131.08606	0.5
133.06514	0.3
133.10146	1.0
135.08067	0.5
135.60945	0.3
137.06006	0.8
137.09647	1.2
139.03899	0.3
139.11200	1.5
141.05481	0.9
143.08577	0.7
145.06557	0.5
145.10121	0.7
147.08025	1.6
149.06035	0.5
149.09624	0.9
151.07545	0.8
151.11153	0.5
153.05522	1.9
157.10199	0.5
159.08063	0.6
161.09671	1.1
163.07573	0.5
165.09108	2.3
167.03484	0.3
167.10730	0.6
169.10220	0.4
171.08051	0.7
171.11649	0.4
175.07594	1.1
175.11180	0.4
177.09120	0.5
187.07411	0.5
189.09175	1.1
189.12698	0.4
191.07024	1.7
192.07813	0.9
193.08607	5.6
197.09581	0.4
199.11214	0.3
203.10768	0.6
205.08633	2.0
207.10202	1.2
209.08063	0.8
209.15346	0.5
211.09628	6.4
212.10191	0.4
213.09117	0.8
213.12656	0.8
219.13884	0.6
221.08084	0.7
229.08562	0.6
231.10204	3.0
235.13290	0.8
237.12823	0.6
237.14803	2.6
241.12358	0.4
243.13937	0.5
245.11858	0.8
247.13359	0.9
249.11212	3.3
255.13757	0.8
257.11743	1.1
259.13400	0.5
263.12775	0.6
264.13730	0.4
265.14496	1.3
273.14972	0.6
275.12830	1.2
283.13293	2.1
298.92706	0.3
301.14374	4.9
319.15317	6.1
355.19034	0.7
373.19803	2.3
385.16385	0.7
429.22839	1.1
445.22562	0.4
467.24469	0.4
485.25342	0.6
523.63275	0.4
555.29272	1.9
556.29785	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63152	0.4
53.03951	0.6
55.01880	0.7
55.05499	0.5
57.03436	0.5
57.52711	0.3
59.05001	100.0
60.05336	1.5
67.05503	0.8
69.03426	1.0
70.57104	0.9
71.05000	1.8
79.05492	2.6
81.07055	3.6
83.01349	0.8
83.05011	0.7
91.05469	2.2
91.64524	0.4
93.07075	1.0
95.04972	0.6
95.08608	0.8
97.06550	0.6
105.07032	0.8
107.08619	0.5
109.06516	3.7
109.10166	0.6
109.61783	0.4
113.06032	1.6
117.07002	0.5
119.08621	1.2
121.06519	0.9
121.10189	1.1
123.08111	1.6
128.06297	0.4
131.08560	0.6
133.06465	0.4
133.10197	0.7
135.08047	0.5
137.05988	1.3
137.09659	0.9
139.11212	1.0
141.05498	0.6
143.08644	0.4
147.08046	1.0
147.11668	0.4
149.09636	0.6
153.05502	1.7
157.10059	0.4
161.09630	0.8
163.07637	0.4
165.09155	1.4
167.03439	0.4
167.07138	0.4
167.10751	0.5
171.08104	0.6
173.09604	0.5
175.07616	0.9
181.04973	0.4
183.10179	0.4
185.09669	0.5
187.07629	0.5
188.41319	0.4
189.09163	1.2
191.07074	1.5
192.07771	0.5
193.08621	3.8
205.08667	1.2
207.10178	1.0
207.13931	0.4
209.08063	0.8
211.09627	6.7
211.11282	0.6
212.10124	0.5
213.09152	0.8
217.12228	0.5
219.13782	0.5
221.08038	0.8
223.09666	0.4
229.12088	0.5
231.10181	2.7
235.13464	0.4
237.14822	3.0
239.10847	0.7
245.11781	0.5
247.13153	0.8
249.11232	3.5
255.13832	0.9
257.11865	1.5
259.13400	0.7
263.12939	0.6
265.14438	1.6
275.12769	1.3
283.13251	3.1
285.14838	0.5
301.14374	6.0
302.14880	0.7
319.15347	7.6
320.15839	0.9
355.19235	0.9
373.20105	2.5
429.22885	1.4
429.32834	0.4
467.24524	0.6
485.25381	1.3
537.28534	0.8
555.29315	3.3
631.34479	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	10.5
55.05504	12.4
57.03430	3.9
57.07070	3.2
59.04987	7.3
65.03930	3.8
67.05499	28.5
68.99786	4.9
69.03422	10.4
69.07065	15.0
70.56896	5.1
70.57231	4.0
71.04639	4.0
71.04993	46.0
79.05489	26.9
81.03384	2.5
81.07048	41.6
83.01342	2.6
83.04978	11.4
85.06527	7.2
87.04475	4.6
91.05484	27.3
93.07043	46.3
95.04948	12.7
95.08613	27.3
97.06542	21.3
97.10176	5.8
99.08114	4.5
103.05460	3.3
105.07030	39.7
105.07676	5.0
107.04973	5.0
107.08592	36.3
109.06530	15.2
109.10154	29.3
111.04422	10.0
111.08114	4.5
113.06013	6.5
113.09608	3.2
115.05447	3.0
117.06984	6.4
119.04971	4.4
119.08572	24.9
121.06514	15.4
121.10149	35.8
123.04441	7.6
123.08069	16.6
123.11722	14.1
125.09626	5.9
128.06223	4.2
129.07010	8.0
131.08548	23.9
133.06488	20.7
133.10130	40.2
133.11064	4.6
135.08040	22.3
135.11720	9.9
137.06020	5.6
137.09610	41.9
139.03891	31.5
139.11174	19.0
140.11526	2.6
141.05469	3.7
143.08549	6.4
145.06444	3.7
145.10115	10.5
147.08087	16.1
147.11693	4.6
149.05983	6.8
149.09613	28.4
150.10416	7.5
151.03998	3.0
151.07559	4.4
151.11182	46.3
153.05507	7.1
153.09164	3.7
155.03397	7.9
155.08536	3.6
155.10654	24.7
156.04185	3.7
157.04962	56.7
157.06389	5.4
157.10135	4.4
158.10834	2.8
159.08061	12.0
159.11700	4.9
161.06012	18.7
161.09622	8.1
161.13242	4.9
161.95964	2.4
163.07516	3.9
163.11240	4.4
165.05600	2.6
165.09134	11.4
167.07079	7.0
167.10699	14.1
169.05037	6.2
171.06602	2.8
171.08110	4.6
171.11731	5.0
173.05951	7.2
173.09601	7.8
173.13269	10.1
175.07530	17.1
177.05510	4.5
177.09102	8.4
177.12750	4.2
179.06996	7.6
179.10664	4.1
181.08664	3.1
183.08249	3.4
183.10149	12.9
183.11710	6.0
185.05966	3.1
185.13225	4.6
187.07579	7.3
187.11162	5.7
189.05464	4.0
189.09129	6.1
189.12733	3.9
191.06975	26.3
191.10645	5.7
191.14294	13.2
193.08572	10.9
193.12173	3.1
195.09966	2.7
197.08066	5.2
199.11188	3.6
201.09111	9.8
201.12796	16.0
203.07027	42.4
203.10738	3.0
203.14307	10.9
205.08521	4.8
207.10083	3.6
207.13844	8.8
209.04472	4.5
209.08073	5.6
209.15370	9.6
211.07750	3.2
211.09488	14.1
211.11372	4.2
213.09157	4.5
215.06978	7.2
217.08488	6.0
217.12251	8.6
219.10201	16.9
219.13765	22.9
221.08151	7.7
221.15407	5.4
223.09641	4.3
225.12769	5.0
227.09030	33.7
229.08640	3.5
229.12251	16.8
233.11580	3.7
235.13214	20.1
237.14838	97.2
239.10693	3.2
243.13875	19.4
245.11845	4.6
245.15340	3.4
247.13292	22.9
249.14893	4.6
253.12209	7.1
255.13818	4.4
257.11636	9.3
259.13431	4.6
261.14832	11.9
265.14322	7.2
271.13245	31.3
273.14767	3.6
277.14166	5.9
279.15994	6.5
289.11050	5.2
289.14313	80.8
290.14774	2.9
295.16708	3.7
298.24710	2.6
301.18008	3.9
303.12378	3.2
305.13718	3.6
307.15353	25.3
313.17834	5.8
325.17661	3.9
329.17505	3.7
331.19012	9.0
343.19009	11.5
349.13113	2.9
351.19812	2.7
359.18521	6.4
361.20120	3.6
375.17880	4.7
377.19553	7.4
391.17633	12.2
395.21439	3.1
425.19220	5.2
429.22363	3.5
437.23312	6.5
439.21103	6.2
445.21927	5.4
455.24203	15.0
463.23071	5.9
473.25186	6.0
479.27878	11.1
481.29376	4.4
489.26025	6.1
497.28964	7.3
507.27460	33.7
508.27780	3.3
525.20898	4.6
525.28485	75.0
526.28479	9.9
543.29456	100.0
544.29742	13.7
559.30212	4.5
561.30450	10.0
577.31506	5.1
595.32349	13.4
613.33667	29.3
616.10980	2.9
631.36304	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.347
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76322	9.4
55.01880	9.1
57.49930	8.1
59.05011	7.6
67.05501	31.3
69.03429	7.8
69.07097	13.8
71.04999	40.1
79.05495	26.4
81.07060	31.9
82.89525	7.9
83.04990	13.6
91.03158	8.8
91.05481	25.6
93.07053	28.4
95.04967	31.8
95.08614	35.7
97.06536	23.4
105.07021	46.8
107.08607	36.1
109.06490	16.4
109.10184	19.7
113.05989	18.0
119.04914	6.5
119.08569	35.3
121.06475	18.0
121.10154	27.9
123.04449	11.7
123.08094	15.1
131.08592	20.7
133.06517	13.0
133.10130	40.5
135.08066	17.4
137.05968	9.2
137.09636	29.7
139.11191	12.5
141.05452	11.9
145.06476	8.7
147.08092	18.6
149.09654	25.1
151.07565	8.4
151.11224	43.0
153.05504	16.7
155.08514	7.8
157.04907	6.8
159.08063	9.8
161.05995	26.9
163.07558	10.4
165.09099	14.0
167.07057	18.6
167.10695	8.6
169.04961	9.6
173.09900	8.1
175.07555	16.7
177.09167	11.8
183.06541	10.2
183.11674	8.8
185.09654	9.3
187.11079	12.1
191.07030	29.4
193.08632	23.1
197.08168	16.1
199.11160	11.4
201.12793	19.3
203.07022	18.5
203.14403	10.6
205.08611	12.1
207.06468	10.9
209.07974	13.4
211.09639	30.8
211.11369	9.2
217.12259	10.7
219.10216	8.2
219.13756	16.2
219.81223	7.1
223.09491	10.1
223.11572	9.1
225.07420	15.5
227.09128	23.7
229.12187	15.6
231.10338	8.5
235.13289	19.7
237.14912	36.6
243.13959	16.4
245.11635	11.1
247.13336	34.9
255.10185	28.3
259.13284	12.1
261.11230	8.5
265.14407	10.0
271.13367	30.4
271.16565	7.2
273.11292	26.7
287.12723	8.7
289.14328	63.4
298.50195	8.0
305.13794	9.4
307.15417	26.2
313.17953	21.6
323.16327	16.7
331.19296	12.4
341.17392	56.2
359.18564	100.0
377.19543	90.8
378.19754	19.6
395.20691	30.8
399.17941	8.7
425.19376	13.3
439.98703	7.2
473.23093	8.3
507.27695	16.1
525.28619	13.4
541.27936	38.8
543.29633	11.8
577.31879	18.8
578.32483	9.4
595.32855	33.8
596.32074	10.1
613.33856	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	631.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.5
55.01868	4.8
55.05514	11.6
57.03435	2.7
57.07066	4.8
64.76679	2.2
65.50834	2.2
67.05500	23.5
69.03435	19.1
69.07071	14.2
71.04988	11.9
79.05490	22.3
81.03416	6.8
81.07059	26.2
83.04976	15.9
83.08638	5.5
85.02928	2.6
85.06549	5.5
91.05462	20.4
93.07040	24.6
95.04974	10.8
95.08604	36.8
97.02900	4.8
97.06542	7.5
99.08097	5.9
105.07035	25.4
107.04982	3.8
107.07890	2.3
107.08584	51.4
109.06528	13.1
109.10154	31.5
111.08068	4.2
117.07026	3.6
119.08570	15.7
121.06513	7.3
121.10138	51.0
122.07288	5.9
123.08076	8.4
123.11692	4.7
125.09643	14.6
129.06885	2.4
131.08534	12.3
133.06487	5.5
133.10130	95.1
134.10484	3.9
135.08043	24.9
135.11685	11.5
137.09608	56.5
139.03917	3.2
139.11194	10.3
141.05479	3.9
143.08556	4.7
145.06535	3.2
145.10129	7.8
147.08057	6.7
147.11646	14.3
149.09595	21.4
149.13249	27.9
151.11171	97.1
153.09067	3.5
158.10963	3.0
159.11655	2.9
161.13379	2.9
163.11342	2.8
163.14778	15.7
165.12741	4.2
167.07040	5.6
167.10709	6.6
173.13228	20.8
175.07677	3.0
183.06566	2.4
191.07040	9.1
191.14311	100.0
192.14700	6.3
193.08681	3.5
199.10951	2.6
201.09200	2.8
203.07022	5.3
209.15367	52.4
211.09566	5.1
213.12592	2.8
219.13785	3.7
227.09166	7.3
229.12201	2.6
235.13312	3.1
237.14798	16.5
247.13356	3.5
255.10091	3.5
271.13214	7.0
273.11261	3.0
289.14294	12.8
307.15359	3.9
313.17847	3.9
328.41733	2.6
341.17444	11.1
359.18365	15.1
377.19650	14.4
395.20728	6.2
425.19174	3.3
428.06412	2.8
454.07864	2.7
457.47168	2.8
507.27496	3.4
518.07501	2.7
525.28241	5.2
535.26483	4.7
536.16156	2.8
541.28235	2.5
543.30139	3.1
613.33655	5.2
619.55963	2.4
631.45703	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	631.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
55.05504	2.7
57.03411	0.4
57.07072	0.6
59.38718	0.3
63.02348	0.6
65.03944	0.5
67.05502	6.9
69.03429	0.3
69.06708	0.7
69.07064	8.8
69.48031	0.3
71.04986	0.7
71.33351	0.4
71.33737	0.4
73.06555	0.3
79.05491	6.2
81.03414	0.4
81.07054	8.1
83.04964	0.8
83.08620	2.4
85.06523	0.7
89.03908	7.8
91.05468	3.4
93.07036	4.6
95.04958	1.0
95.08602	7.1
97.06516	2.4
97.10149	2.2
99.08118	0.5
105.07018	3.0
107.04926	2.0
107.08591	4.2
109.06517	0.5
109.10152	3.6
111.08036	0.6
115.07571	0.5
117.03368	9.0
117.06996	1.0
119.08566	3.2
121.10133	4.8
123.08052	0.6
123.11678	1.7
125.05968	3.7
125.09614	1.0
129.06972	0.6
131.08540	2.0
133.10139	2.6
135.04411	15.3
135.08003	0.8
135.11659	2.3
136.04742	0.5
137.09657	0.6
137.13242	0.7
139.11200	1.8
143.07025	3.5
143.08574	0.8
145.02846	12.1
145.10133	1.8
147.04366	0.6
147.08023	0.4
147.11676	2.1
149.09610	0.7
149.13266	1.4
153.09103	0.6
157.10144	0.6
159.11638	1.9
161.08060	1.1
161.09489	0.5
161.13269	1.3
163.03891	100.0
163.14784	0.7
164.04205	2.7
169.10217	0.4
171.11607	0.5
171.24947	0.4
173.13234	1.3
175.09602	0.6
175.14813	1.3
177.05357	0.4
177.12808	0.4
187.14877	0.9
189.11223	0.6
189.16359	1.3
199.14751	0.6
201.16330	0.8
217.15915	0.4
227.18034	0.5
243.20845	0.4
253.19743	0.4
261.22168	2.2
279.23114	5.6
297.24197	4.4
367.26355	0.7
385.26804	0.8
399.32626	0.8
403.28348	2.4
417.33621	1.5
421.29395	1.6
431.31815	0.4
435.34589	2.0
445.33646	0.5
451.31769	0.7
453.35547	0.9
467.31555	0.9
469.33130	8.5
470.33319	1.0
541.38672	1.2
559.39917	4.2
577.40802	1.9
595.41827	1.4
631.37286	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	631.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22299	1.5
53.03949	2.2
54.46521	1.5
55.05504	12.0
57.07077	3.2
59.97005	1.4
61.20196	1.5
67.05502	25.6
69.07066	15.5
71.08598	1.6
71.33855	2.8
77.69222	1.7
79.05498	16.1
80.05831	2.1
81.07056	37.8
83.08632	9.0
89.03921	10.4
91.05476	16.9
93.07043	32.6
95.08601	69.6
95.09209	3.6
96.09009	1.9
97.10181	4.4
105.07024	34.6
107.08589	40.9
109.06532	2.0
109.09410	3.9
109.10151	70.8
109.10875	3.7
110.10511	2.4
111.08082	1.7
117.03370	17.8
117.07016	5.1
119.08580	56.5
119.09409	3.3
120.08970	2.2
121.10143	38.5
123.11690	10.8
125.09690	1.6
127.07596	1.7
128.06192	2.6
131.08572	8.9
133.10115	43.6
135.04414	3.3
135.11693	22.6
137.13268	8.2
143.08571	5.6
145.02846	53.6
145.10117	20.2
147.04332	3.0
147.11687	25.7
149.05977	7.7
149.13274	13.5
151.14958	1.7
156.09241	1.7
157.10172	5.0
159.11671	14.3
161.13239	18.7
163.03920	5.7
163.14825	4.4
169.10001	2.1
171.11685	4.6
173.13260	13.9
175.14841	18.6
177.05467	100.0
177.16380	27.7
178.05791	3.7
178.16748	2.6
185.13234	2.2
187.14812	13.9
189.16374	32.0
191.17891	8.2
195.06633	4.7
199.14819	6.3
201.16385	37.0
203.17921	42.2
204.18253	3.0
205.19676	1.7
213.16348	27.7
214.16623	2.1
215.17935	16.0
217.19545	5.5
221.15379	2.8
227.17953	2.5
229.19588	5.7
231.17461	2.3
233.15408	2.8
235.16980	3.1
239.17993	2.2
241.19539	7.2
243.20915	2.7
245.15466	2.0
247.16904	4.6
253.19638	2.1
255.20958	2.3
259.16913	13.1
260.17294	2.2
261.18582	6.5
267.21155	2.4
283.24271	5.8
287.19952	2.3
297.25607	1.9
327.23077	1.8
329.24780	5.0
343.26270	7.0
355.26312	2.0
373.05688	1.8
391.33588	9.3
409.34567	4.0
437.34198	36.1
438.34283	4.6
462.71167	1.8
631.37079	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	631.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22299	1.5
53.03949	2.2
54.46521	1.5
55.05504	12.0
57.07077	3.2
59.97005	1.4
61.20196	1.5
67.05502	25.6
69.07066	15.5
71.08598	1.6
71.33855	2.8
77.69222	1.7
79.05498	16.1
80.05831	2.1
81.07056	37.8
83.08632	9.0
89.03921	10.4
91.05476	16.9
93.07043	32.6
95.08601	69.6
95.09209	3.6
96.09009	1.9
97.10181	4.4
105.07024	34.6
107.08589	40.9
109.06532	2.0
109.09410	3.9
109.10151	70.8
109.10875	3.7
110.10511	2.4
111.08082	1.7
117.03370	17.8
117.07016	5.1
119.08580	56.5
119.09409	3.3
120.08970	2.2
121.10143	38.5
123.11690	10.8
125.09690	1.6
127.07596	1.7
128.06192	2.6
131.08572	8.9
133.10115	43.6
135.04414	3.3
135.11693	22.6
137.13268	8.2
143.08571	5.6
145.02846	53.6
145.10117	20.2
147.04332	3.0
147.11687	25.7
149.05977	7.7
149.13274	13.5
151.14958	1.7
156.09241	1.7
157.10172	5.0
159.11671	14.3
161.13239	18.7
163.03920	5.7
163.14825	4.4
169.10001	2.1
171.11685	4.6
173.13260	13.9
175.14841	18.6
177.05467	100.0
177.16380	27.7
178.05791	3.7
178.16748	2.6
185.13234	2.2
187.14812	13.9
189.16374	32.0
191.17891	8.2
195.06633	4.7
199.14819	6.3
201.16385	37.0
203.17921	42.2
204.18253	3.0
205.19676	1.7
213.16348	27.7
214.16623	2.1
215.17935	16.0
217.19545	5.5
221.15379	2.8
227.17953	2.5
229.19588	5.7
231.17461	2.3
233.15408	2.8
235.16980	3.1
239.17993	2.2
241.19539	7.2
243.20915	2.7
245.15466	2.0
247.16904	4.6
253.19638	2.1
255.20958	2.3
259.16913	13.1
260.17294	2.2
261.18582	6.5
267.21155	2.4
283.24271	5.8
287.19952	2.3
297.25607	1.9
327.23077	1.8
329.24780	5.0
343.26270	7.0
355.26312	2.0
373.05688	1.8
391.33588	9.3
409.34567	4.0
437.34198	36.1
438.34283	4.6
462.71167	1.8
631.37079	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	631.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58784	0.5
59.04994	5.9
67.05487	1.4
69.07085	0.9
69.28332	1.5
69.28753	2.2
79.05491	1.1
81.07050	1.7
91.05510	0.6
93.07024	0.5
95.08584	1.3
98.23261	0.8
104.50465	0.5
105.07037	0.9
107.08594	0.6
109.06557	0.5
109.10168	0.8
121.10135	0.9
131.08565	0.6
133.10126	0.6
139.11215	0.5
187.17659	0.6
273.68921	0.5
476.49066	0.5
613.47455	0.5
631.41626	100.0
632.41980	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	631.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
55.05507	4.0
57.07067	2.5
58.01954	0.6
59.05000	1.5
65.03946	1.1
66.10353	0.5
67.05505	9.8
69.03438	8.3
69.07073	4.4
71.04999	4.1
71.83121	0.6
79.05501	7.6
81.03420	6.7
81.07058	13.6
82.07399	0.8
83.04981	3.5
83.08611	2.2
85.02904	2.3
85.06545	0.7
91.05472	7.3
93.07047	9.0
95.04971	5.5
95.08604	9.2
97.02901	1.1
97.06536	4.5
97.10188	1.0
99.08079	1.6
105.07036	7.9
106.69452	0.5
107.04962	0.8
107.08591	10.4
108.08930	1.1
109.06532	5.8
109.10154	8.3
111.04477	1.0
111.08062	1.1
113.06007	1.0
117.07018	2.1
119.08586	5.9
121.06497	2.2
121.10151	16.9
122.07301	1.2
123.04441	0.9
123.08082	6.1
123.11698	7.3
125.09611	1.1
129.06952	0.7
131.08568	4.6
133.06554	0.7
133.10120	8.6
135.08063	3.2
135.11694	2.6
136.74710	0.6
137.06044	0.8
137.09615	15.3
137.13246	1.7
139.03905	0.7
139.11172	4.5
143.08578	1.1
145.10127	2.1
147.07990	1.0
147.11711	3.3
149.09615	10.5
149.13271	6.4
150.10326	1.1
151.07527	0.7
151.11182	19.7
152.11496	0.9
153.05482	1.3
155.10776	0.6
157.04991	1.2
157.10159	0.9
159.08026	0.6
159.11668	1.3
161.09618	1.0
161.13280	1.4
163.07578	1.3
163.11166	1.0
163.14839	1.4
165.05641	0.7
165.09143	1.2
165.12759	46.8
166.13097	2.3
167.10703	2.4
171.11626	0.7
173.13278	2.9
173.38596	0.6
175.07562	0.9
177.05484	0.9
177.09125	1.0
177.12721	1.0
179.07040	1.7
179.10710	0.9
181.08664	1.2
183.11670	0.6
185.13303	0.7
187.11183	0.9
187.14941	0.7
189.09152	1.4
189.12756	0.8
191.07101	1.5
191.14319	7.2
193.08600	2.5
193.15889	2.1
197.08156	1.6
199.11081	1.0
201.12822	0.8
203.14304	1.1
205.08617	1.1
207.13803	1.3
209.15373	100.0
210.15718	5.6
211.09637	1.4
219.13705	1.2
221.15263	0.7
227.09019	0.7
229.49963	0.9
235.11383	0.7
235.13277	3.5
237.14838	15.2
238.15163	1.0
239.10541	0.9
243.13641	0.8
249.14775	1.0
259.13342	1.2
265.14322	2.3
269.11661	0.7
275.12601	0.7
283.16812	0.9
285.11459	0.6
285.18307	0.7
289.14523	1.0
295.17032	0.6
301.18103	0.7
311.16437	1.3
313.18085	1.7
329.17371	3.9
331.19098	1.0
339.15964	0.6
347.18475	5.1
357.16843	2.8
359.18463	0.9
379.18799	0.7
385.16422	1.4
389.98737	0.7
395.20798	0.7
407.18387	1.7
409.20145	1.1
423.21848	0.6
425.19696	3.5
427.21146	1.6
441.22409	0.8
445.22165	1.3
489.26273	1.0
507.27249	2.0
517.25818	2.3
525.28162	0.9
535.26685	2.4
543.29578	1.5
553.27881	2.7
559.30139	2.5
561.30640	1.3
571.28619	1.8
577.31476	3.0
589.95551	0.8
595.32745	3.4
596.33411	1.0
613.33893	5.6
614.33844	0.8
631.35449	10.0
631.45618	1.3
632.36505	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.4197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.6
55.01862	3.6
55.05513	11.2
57.07078	4.7
57.50896	2.4
59.04987	4.1
67.05500	21.6
69.03435	16.0
69.05268	24.2
69.07066	11.1
71.04976	15.2
79.05491	16.3
81.03407	6.9
81.07053	30.0
83.04990	15.2
83.08603	4.6
85.06537	2.8
91.05479	15.6
93.07037	23.0
95.04989	7.0
95.08598	34.7
97.06519	6.1
99.08092	5.8
105.07027	21.6
107.04934	5.0
107.08592	52.7
109.06515	14.2
109.10141	28.0
111.04432	2.5
111.08107	2.8
115.05450	4.2
117.00507	2.5
117.07040	4.7
119.08555	14.8
121.06502	9.7
121.10130	56.8
122.07273	4.9
123.04468	5.0
123.08071	7.1
123.11680	6.5
125.09641	16.1
131.08594	12.7
133.06560	4.3
133.10120	88.2
134.10423	3.3
135.08046	29.5
135.11702	11.3
137.09608	54.9
139.11172	11.4
143.08505	4.2
145.10132	3.9
146.07097	2.8
147.08078	4.9
147.11655	13.3
149.09616	21.0
149.13254	29.6
151.11168	94.8
153.09079	4.5
154.74588	3.1
157.05020	4.1
157.10069	4.5
158.10985	3.6
163.14825	17.5
165.12752	11.4
167.07047	3.9
167.10689	5.4
171.07985	3.4
173.13258	19.7
191.07089	5.7
191.12564	5.1
191.14304	100.0
192.14758	4.1
193.08620	9.4
197.07941	2.6
199.11191	3.3
201.12804	2.8
203.07056	6.1
203.14331	3.8
205.08583	2.8
209.15347	66.1
211.09560	5.4
219.13693	3.5
227.09081	5.4
229.12253	3.3
237.14790	15.2
243.13835	2.7
247.13306	5.6
255.10060	4.2
271.13242	5.4
273.11346	4.9
289.14352	14.8
307.15137	5.3
313.18015	3.2
319.15765	3.2
341.17468	7.7
359.18481	10.9
377.19675	11.3
378.04263	2.7
395.20718	4.3
425.20139	3.6
525.28778	6.4
535.26904	2.9
541.27997	6.2
543.29425	9.1
613.33661	9.3
656.63531	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.4414
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36434	1.4
53.03939	4.6
55.01872	9.6
55.05510	83.6
56.05849	2.0
57.03423	5.3
57.07066	5.1
59.04986	2.0
59.11864	1.4
65.03922	2.9
67.05504	80.5
69.03412	5.6
69.07065	49.8
69.32458	7.7
70.07380	1.8
71.05006	8.3
79.05491	49.3
81.07056	90.7
82.07397	1.8
83.04980	7.5
83.08617	100.0
84.08953	2.8
85.02892	1.4
85.06535	6.2
87.04498	1.4
87.08088	2.7
89.03906	1.6
91.05475	30.2
93.07044	52.9
94.07423	2.0
95.04964	4.9
95.08603	79.5
96.08925	2.3
97.06518	11.6
97.10172	52.2
98.10430	1.9
99.08102	2.8
103.05485	2.2
105.07021	20.2
107.04954	6.3
107.08591	45.9
109.06493	4.3
109.10150	39.5
111.08081	28.7
111.11735	1.8
117.03385	3.0
117.07000	12.3
119.04947	2.2
119.08578	21.8
121.06527	7.6
121.10139	29.0
122.10509	1.9
123.08092	6.0
123.11696	11.0
125.09625	39.4
128.06305	1.8
129.06982	4.6
129.09131	13.7
131.08574	20.3
133.10126	18.0
135.04414	5.6
135.08035	11.2
135.11673	25.5
137.06015	3.2
137.09628	4.1
137.13234	4.8
139.07542	19.8
139.11176	2.8
141.09079	1.8
143.08559	4.7
143.10663	4.5
145.02814	4.8
145.10133	18.1
147.04480	7.2
147.08040	2.3
147.11658	18.1
149.09634	5.5
149.13226	11.8
151.11168	3.4
151.14771	1.5
153.09097	17.3
153.12759	1.5
155.08504	2.4
157.08606	3.9
157.10100	5.4
159.11674	13.1
161.09605	3.0
161.13245	14.3
162.97150	1.5
163.03891	27.9
163.11145	5.4
163.14830	4.9
165.12743	4.2
165.16425	1.6
167.07008	2.2
167.10753	1.9
169.10074	1.5
171.10287	1.7
171.11728	4.7
173.01666	1.4
173.11830	2.8
173.13264	10.9
175.09662	27.6
175.11099	2.9
175.14806	5.9
177.05505	1.5
177.12845	3.6
177.16521	1.5
179.14314	2.5
181.12244	1.4
183.11693	2.7
184.05887	1.3
185.13336	2.0
187.11200	1.7
187.14784	8.4
189.11224	27.4
189.12793	3.5
189.16420	5.5
190.11565	2.0
193.08640	2.1
195.10123	1.8
199.14754	2.5
201.12837	1.7
201.16415	6.5
213.16252	1.6
215.17955	2.6
217.11971	2.2
217.15831	2.2
225.16461	1.9
225.22809	1.3
233.22487	1.6
241.19481	2.0
243.21053	12.9
247.16959	1.9
261.22131	29.0
262.22577	1.6
263.16479	2.7
275.20117	1.8
279.23181	92.8
280.23584	7.5
281.17307	1.9
293.21097	1.6
297.24219	69.7
298.24561	5.9
305.21225	1.7
319.22781	3.6
371.29453	4.9
381.27756	1.9
385.30978	5.1
389.30539	6.9
390.31009	2.6
395.29587	3.6
399.28864	6.2
403.32019	9.4
407.31586	7.2
407.72107	1.4
413.30432	7.1
417.30048	21.7
421.33121	11.1
425.32657	4.0
431.31604	36.3
432.31726	4.4
435.31107	10.0
439.34085	6.5
449.32697	18.7
451.32104	1.8
469.32718	1.8
541.38910	12.4
559.31213	3.0
559.39844	47.6
560.40027	5.2
577.40887	25.7
578.41217	5.2
595.42108	20.9
596.41968	2.4
631.35480	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	631.4778
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.5
53.03942	3.6
55.01867	5.6
55.05511	50.9
56.05853	0.9
57.03437	4.9
57.07084	5.4
59.04988	3.5
59.45493	1.0
65.03931	3.7
67.05505	80.5
68.02321	0.8
68.05833	2.3
69.03429	5.8
69.07068	60.6
69.73127	4.1
70.07388	1.7
71.04994	8.1
71.08621	1.2
72.48995	1.1
73.06517	1.4
76.35528	1.0
79.05494	47.6
80.05834	1.0
81.07057	100.0
82.07384	2.9
83.04978	10.7
83.08620	27.0
85.06549	6.3
91.05476	24.5
92.05798	1.1
93.07047	49.6
94.07365	2.3
95.04974	6.9
95.08604	73.2
96.08934	3.1
97.06535	15.0
97.10169	43.1
99.08080	2.6
105.07030	24.6
107.04931	1.1
107.08594	39.0
108.08940	2.0
108.41638	0.8
109.06509	6.8
109.10155	47.3
111.04487	1.0
111.08101	5.3
111.11722	5.6
113.06016	1.8
113.09644	2.0
117.06985	6.8
119.04960	1.3
119.08586	18.5
120.08952	1.4
121.06525	3.1
121.10145	43.5
123.04449	1.3
123.08055	6.2
123.11713	15.8
125.09634	38.4
125.13249	1.4
126.09917	2.0
127.07527	1.2
129.07013	1.7
131.08583	13.7
132.08900	1.4
133.06494	3.3
133.10127	21.5
134.10529	1.0
135.08026	7.9
135.11703	23.0
137.05946	1.1
137.09613	9.1
137.13260	6.6
139.07489	1.1
139.10172	1.8
139.11183	20.0
141.05466	1.7
143.08583	1.9
143.10695	7.9
145.06419	1.1
145.10103	14.4
147.04324	1.7
147.08026	3.1
147.11690	12.2
149.06064	1.2
149.09579	8.1
149.13249	9.3
151.07578	2.3
151.11177	10.4
151.14815	2.1
153.05498	1.1
153.09088	8.1
153.12733	2.6
155.08562	0.9
155.10669	1.8
157.10101	3.1
157.12233	1.5
158.10916	1.0
159.07976	1.8
159.11694	7.8
161.05884	1.4
161.09671	2.0
161.13252	14.0
162.73750	1.0
163.07552	1.1
163.11143	3.2
163.14876	5.0
165.09074	1.7
165.12778	3.4
166.10721	1.0
167.07091	1.3
167.10677	3.5
169.10167	1.2
169.12219	1.1
171.10316	2.1
171.11763	3.2
171.99011	1.1
173.11742	3.6
173.13263	7.4
175.07477	1.4
175.11194	1.8
175.14845	5.2
177.05562	1.1
177.12793	3.9
177.16391	2.4
179.07030	1.6
179.14320	3.1
181.08563	1.2
183.07954	1.0
184.51926	1.0
185.13211	2.4
187.13348	1.2
187.14771	4.5
189.05394	1.1
189.09406	1.9
189.11212	19.2
189.12798	2.3
191.07048	2.5
191.14299	3.3
192.17474	0.9
193.08548	2.5
193.15875	1.4
197.08124	2.4
201.16296	2.7
203.14368	1.0
205.08562	0.9
205.15988	1.1
207.10120	1.2
207.13730	1.1
209.07968	1.2
209.15398	3.1
211.09636	3.3
217.19553	1.2
219.13916	1.7
221.15407	2.1
223.16914	2.1
227.09094	3.3
227.18022	1.1
233.15216	1.3
235.13251	1.9
237.14894	15.2
243.13800	2.3
243.21109	10.9
244.21155	1.0
245.11794	1.4
245.19115	2.3
249.14900	1.3
259.20508	2.0
261.14838	2.9
261.22134	31.4
262.22424	2.9
263.20074	7.9
263.22574	1.2
265.14496	3.1
265.21667	1.4
271.13095	1.6
275.20181	1.6
276.90457	0.9
277.14346	1.4
277.21600	2.2
279.23181	86.3
280.23523	5.8
281.21146	19.1
281.24255	0.9
282.21506	1.0
283.22836	1.0
289.14343	1.2
293.21225	1.0
295.22458	1.3
297.24234	37.2
298.24536	2.7
299.22125	6.3
304.13345	1.0
313.17984	2.2
319.19128	1.0
331.18881	3.8
331.51544	1.0
333.24454	1.2
359.18643	1.4
385.30936	5.4
391.17615	1.3
395.20682	1.9
399.32437	4.1
403.31985	11.2
413.30515	2.8
417.33624	13.3
421.33121	16.3
425.19614	1.2
431.31534	16.5
432.31836	2.3
435.34668	11.5
436.34836	1.7
439.33942	5.2
449.32565	12.7
450.33008	1.2
453.35498	4.9
467.33572	2.0
507.27493	1.3
525.28699	1.0
535.26538	1.4
541.41992	5.7
543.29028	2.0
559.43372	12.5
560.43677	2.7
577.31189	2.8
577.44537	14.1
578.45099	3.2
595.32166	2.2
595.45679	11.1
596.45361	2.1
613.33099	4.7
631.37482	5.7
632.37183	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.6
55.01867	2.0
55.05512	3.4
60.40577	1.4
67.05497	3.2
69.07066	1.7
69.43755	10.3
79.05484	8.0
81.07059	3.6
83.04979	2.9
91.05487	7.0
93.07044	4.3
95.04973	2.6
95.08591	3.6
97.06551	1.7
103.05477	4.4
105.07020	19.1
107.04929	7.3
107.08604	1.6
109.06526	2.0
109.10114	2.2
115.05461	1.9
119.04948	2.1
119.08594	4.3
121.06504	5.6
121.10116	2.0
123.04468	1.7
128.06213	1.6
129.07008	5.3
131.04904	2.4
131.08551	2.0
133.06482	17.0
133.10144	2.4
135.04416	2.6
135.08034	3.3
137.05974	5.9
139.84760	1.3
145.10121	3.4
146.07170	1.9
147.04379	3.6
149.09622	3.6
149.28993	1.4
150.06778	4.5
157.06519	3.5
158.07248	1.5
161.05936	2.1
161.09633	5.2
163.03941	1.9
165.06958	2.0
165.09105	12.4
167.07031	9.2
167.08371	1.7
181.04913	9.4
181.08621	5.2
184.05156	2.5
189.09082	12.2
191.07057	2.0
193.08589	100.0
194.09062	4.8
195.08066	2.7
199.07556	4.2
208.08846	2.4
210.06767	5.7
211.07616	2.4
212.08382	1.9
217.08534	2.4
221.11722	16.2
223.07550	2.9
223.11285	2.5
225.09117	5.2
227.07007	2.7
227.10637	2.5
233.09691	2.3
235.07733	1.7
236.08195	1.8
239.07039	1.6
241.08546	2.3
244.07324	2.1
249.11208	7.6
251.10625	3.2
253.08569	5.1
255.06606	3.4
255.10173	3.8
257.04599	1.7
258.61502	1.5
259.09659	4.5
261.09119	2.5
270.08978	3.2
271.09656	7.0
278.09375	1.8
279.10071	3.3
281.08044	1.9
283.13272	2.7
285.11227	5.2
287.09470	1.9
287.12650	7.7
293.11902	2.1
295.09674	1.5
307.09628	3.1
311.12781	4.7
313.10764	2.1
315.08734	4.2
315.12225	2.1
315.15710	1.8
319.09683	4.1
321.11221	5.2
325.14203	2.6
329.10040	3.4
339.12225	4.3
343.15381	36.6
345.13315	28.5
351.12189	2.3
353.13852	5.8
371.14874	24.5
385.16458	5.1
399.84409	1.5
403.17368	16.9
424.14865	3.0
632.32922	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	632.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.1
53.03942	4.4
55.01862	8.8
55.05506	5.6
57.03429	3.3
57.07076	1.6
58.99579	1.2
65.03961	0.8
65.36366	0.7
67.05497	8.5
69.03425	11.0
69.07059	9.3
69.52377	5.0
71.04987	6.3
75.04469	2.0
76.02222	3.2
79.05488	21.5
80.05820	3.2
81.03413	18.4
81.07051	19.4
83.04977	3.7
83.08606	1.0
84.04516	1.3
84.08173	0.8
85.02908	6.1
85.06538	13.5
91.05471	15.9
92.05810	2.8
93.07037	71.3
94.07361	13.9
95.04958	7.6
95.08600	11.7
97.02888	5.8
97.06538	9.1
97.10160	1.8
98.22649	1.6
99.04446	8.5
101.06020	1.0
103.05507	1.3
105.04507	0.8
105.07025	24.1
106.07332	1.0
107.04950	3.3
107.08587	40.3
108.08902	4.0
109.02871	17.9
109.06519	10.3
109.10168	2.3
110.03208	1.4
111.04424	2.9
111.08073	6.8
112.02238	0.7
113.05983	3.4
113.46671	0.8
116.01694	1.4
116.51446	0.8
117.06998	2.8
119.08574	11.9
120.08891	0.9
121.02890	1.2
121.06509	12.3
121.10136	66.7
122.10466	19.7
123.04410	1.7
123.08056	6.7
123.11726	1.3
125.05975	2.0
125.09622	1.2
127.03903	19.1
127.07557	1.9
128.04311	0.9
129.07008	2.2
130.05011	1.0
131.08554	10.3
132.08911	1.1
133.06488	1.9
133.07521	0.7
133.10059	1.9
135.08041	4.4
135.11659	10.0
136.11929	0.9
137.02315	4.3
137.05930	1.6
137.09607	2.2
139.07498	1.7
139.11185	3.9
140.07056	1.7
140.95103	0.8
143.07069	1.0
143.08606	1.3
144.01031	1.1
145.04988	1.4
145.06401	0.9
145.10115	22.0
146.10439	1.2
147.08023	1.9
147.11679	3.5
149.06033	1.6
149.09605	21.1
150.09970	2.7
151.03923	1.5
151.07509	6.6
153.01823	4.8
153.12798	1.4
159.08017	1.4
161.06021	1.9
161.09573	1.6
162.02260	1.6
163.03897	1.4
163.07516	1.4
163.11166	53.1
164.04314	0.9
164.11488	1.7
165.01802	2.2
165.09109	2.3
167.07031	6.4
167.10666	23.4
168.10962	1.6
169.08588	51.3
170.08922	1.9
173.09592	6.3
179.04900	2.1
179.07057	0.9
179.10637	0.9
181.08727	1.0
181.12204	12.1
183.02948	1.2
185.11714	3.4
189.08939	1.1
191.10648	32.4
192.10991	2.1
201.05513	1.1
201.09146	1.1
205.06921	0.8
209.11716	43.8
210.11987	1.3
213.11385	0.8
214.11589	0.9
224.03119	0.8
227.12758	100.0
228.13177	5.1
229.04907	4.3
230.05353	2.5
231.04240	1.0
245.13722	1.0
255.12358	2.1
257.04364	1.6
258.04837	1.5
263.11783	1.5
265.13412	1.2
269.13788	6.9
271.13309	1.8
277.10760	1.1
279.11264	1.8
286.04236	1.2
289.14343	3.7
293.13745	1.7
303.04965	60.1
304.05298	53.4
305.05338	4.0
308.09180	0.9
309.12350	1.9
311.14908	3.8
312.15262	3.9
313.11914	0.9
315.04681	0.9
317.13919	3.0
321.15088	1.4
329.15814	1.6
330.16135	1.3
335.14893	7.8
337.11984	1.2
340.14035	0.8
345.05981	1.4
346.18222	1.1
353.15912	34.3
354.16257	2.9
357.14560	1.1
364.19339	2.7
369.14499	1.1
371.16949	28.6
372.17258	2.8
382.20404	1.0
389.18005	2.4
400.16592	1.2
401.17117	1.1
411.20514	0.8
459.17032	1.4
467.22070	3.3
468.22015	0.8
480.44870	0.9
481.11453	1.0
485.23193	11.1
486.23505	1.8
510.22168	3.5
597.91559	0.8
600.24902	4.8
601.26086	1.3
632.37469	5.5
633.23865	1.1
633.38367	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	633.1082
Annotation	Myricetin 3-(6''-galloylgalactoside)
Peak:m/z	Relative Intensity
50.01585	0.3
51.02378	0.6
53.00305	0.2
53.03931	0.3
53.41446	0.3
55.01865	0.8
57.03428	0.2
61.02925	0.3
62.12307	0.2
65.03919	0.2
68.99790	0.5
69.03427	0.8
71.32085	0.3
79.01849	4.3
79.05499	0.2
81.03411	1.0
85.02899	1.8
85.40835	0.2
91.05471	0.5
93.03402	0.5
95.04947	0.4
97.02888	1.5
99.04443	0.2
101.02890	0.2
103.05458	0.4
105.07007	0.4
106.04185	0.4
107.01286	1.2
107.04951	0.9
109.02873	1.4
111.04482	0.2
115.05515	0.2
119.04925	0.2
121.02848	1.3
121.06506	0.3
123.00748	0.3
123.04424	1.6
125.02336	2.8
127.03931	1.8
131.04865	0.3
133.06473	0.7
135.04515	0.2
137.02335	2.4
137.03349	0.4
137.06004	1.1
139.03912	0.4
143.03386	5.5
145.04919	0.5
147.04395	0.5
149.05988	0.9
151.03902	2.9
151.07602	0.2
152.04242	0.5
153.01822	100.0
153.02881	4.6
154.02150	3.0
160.68269	0.2
161.05956	0.3
163.03853	0.4
163.07486	0.2
165.05450	0.3
165.09082	0.5
167.07030	3.9
169.01329	4.2
171.02884	1.4
171.04416	0.5
173.05887	0.2
175.03912	0.6
177.05476	1.1
181.01299	0.8
181.08620	1.2
183.06445	0.3
185.00772	0.2
189.05415	0.4
195.02831	1.0
199.03920	0.6
203.03395	0.2
207.02904	0.2
209.08089	2.2
217.04906	0.7
227.09116	1.0
245.04488	2.1
255.04955	0.4
263.05551	0.4
273.04028	1.5
290.04196	0.4
291.04727	0.2
297.05966	1.0
301.03387	1.0
301.10901	0.3
313.09476	0.2
315.07065	5.2
316.07465	0.4
317.03003	0.4
318.03180	0.4
319.04459	58.7
320.04807	3.7
581.91180	0.2
633.23517	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.4
51.16762	1.0
52.92239	0.9
53.03934	2.0
55.01867	2.3
56.99497	0.9
57.03438	1.8
61.02914	1.5
61.97575	1.0
65.03928	1.1
68.99773	2.0
69.03423	3.2
70.64478	1.2
70.64830	1.9
79.05487	4.9
79.94910	0.9
80.68343	0.9
81.03410	1.9
81.07052	1.3
85.02902	8.3
91.05479	7.5
93.03417	0.9
93.07034	4.0
95.04974	4.8
97.02883	4.3
99.04424	2.2
103.05470	12.2
105.03345	1.2
105.07027	6.9
107.04951	79.6
108.05275	1.7
109.02869	2.0
109.06509	2.3
111.04395	1.0
111.95527	1.0
115.05457	1.7
117.06993	1.4
119.04945	7.3
121.06500	16.7
123.04427	50.0
123.99413	0.9
124.04668	1.1
127.03908	2.1
131.04945	6.1
133.06477	3.8
135.04410	12.9
135.08043	5.9
137.05954	7.1
139.03891	14.0
143.04898	2.8
145.06482	3.1
147.04399	24.3
148.05199	6.3
149.05974	27.6
151.03885	3.5
151.07576	1.6
153.01807	3.6
159.04405	1.5
161.05957	5.7
163.03888	3.8
163.07530	17.0
164.08177	1.3
165.05470	16.3
165.09119	9.9
167.07033	4.6
171.88495	0.9
173.05910	1.3
175.07503	2.7
177.05466	89.8
178.05826	3.6
179.07063	2.2
181.08591	100.0
182.08922	5.4
188.44954	0.9
189.05469	4.9
189.09183	1.1
195.06473	2.2
196.42931	0.9
201.05544	1.7
201.09119	1.4
201.26018	1.0
207.06526	4.3
226.75821	1.0
227.10609	1.1
231.06471	2.8
271.66946	1.2
291.08655	4.8
301.10699	44.9
302.10931	3.5
303.04913	3.0
313.10550	3.6
319.04703	1.3
319.11740	7.6
329.10205	9.2
367.11844	1.8
427.13773	1.3
445.15244	1.8
453.15421	15.3
454.15771	1.7
470.10504	1.1
471.16547	5.8
472.16876	1.4
502.05368	1.2
633.27490	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	633.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.1
54.38658	0.5
55.05502	1.1
59.44761	0.6
61.99929	0.5
65.03931	0.6
67.05497	2.3
69.03439	1.0
69.07062	22.7
70.36589	0.6
71.33429	0.5
79.05497	1.6
79.89553	0.5
81.07054	1.8
83.04980	0.6
85.02879	0.9
87.26482	0.5
91.05481	1.9
93.07041	1.5
93.35332	0.6
94.06590	0.8
95.04978	1.4
95.08614	1.6
97.22346	0.6
98.23314	1.6
101.87716	0.7
105.07024	0.9
106.06570	1.5
107.04947	1.1
107.08610	1.6
108.08112	5.2
109.10178	0.9
110.06001	0.7
111.08084	0.7
119.08570	1.4
120.08131	1.4
121.08870	2.1
121.10150	0.8
122.06052	2.2
122.09652	1.3
124.07599	1.9
129.06976	0.8
131.08595	0.6
133.10133	0.8
134.06050	1.4
134.09697	1.0
135.04410	1.1
136.02811	0.5
136.07562	7.7
137.05974	1.2
137.09607	1.0
138.05487	3.4
140.07056	36.0
141.07391	1.4
145.10081	0.6
146.06021	2.2
147.04414	0.6
147.06847	1.2
147.11591	0.6
148.07539	6.3
150.09123	5.8
151.03906	2.0
152.07063	33.8
153.07367	1.1
159.11699	1.0
164.07071	2.4
165.07896	1.2
165.09190	0.6
166.08632	6.2
167.07082	3.6
167.09409	1.7
174.05519	1.3
174.09152	1.3
174.89566	0.7
176.07079	3.2
185.10881	0.8
190.05026	1.0
194.08069	2.7
197.10768	1.0
198.11650	0.8
211.12329	1.9
212.13097	1.1
213.10197	0.8
213.14188	0.6
223.12251	1.1
224.13054	0.7
225.10229	4.6
225.13879	0.8
226.10899	1.5
227.08170	1.0
227.11842	1.5
229.13322	1.1
237.10268	1.9
237.13939	0.9
238.10974	2.5
239.08209	0.9
239.11778	13.2
239.37459	0.6
240.10143	0.7
240.12437	2.7
240.42958	0.6
241.09607	1.1
242.11681	1.3
243.11259	1.6
250.11067	0.8
251.11856	2.3
252.12509	1.0
253.09706	1.5
253.13350	3.0
255.11270	2.1
257.12878	0.6
261.12326	3.7
263.11816	2.3
264.12399	0.7
265.09802	3.6
265.13300	4.3
266.10577	4.0
266.13779	0.7
267.08151	1.1
267.11264	7.6
268.09515	0.8
268.12048	0.8
269.12933	1.7
271.14429	5.6
272.15170	0.9
277.13135	0.6
279.11316	10.7
279.14603	1.2
280.12018	7.0
281.09308	2.8
281.12888	12.7
282.13315	2.0
283.10898	3.2
284.11511	2.4
285.12247	4.8
287.13818	4.0
293.12662	1.7
294.13507	1.3
295.10950	1.0
295.14453	1.7
296.11584	1.4
297.12280	7.2
298.13089	14.2
299.10361	0.9
299.13776	8.7
304.14539	0.8
305.12625	0.8
306.13107	1.0
306.16245	1.3
307.14240	0.9
309.12332	2.9
309.15631	0.6
310.13071	2.1
311.10233	3.6
311.13940	4.2
312.14548	1.4
313.11823	4.7
314.12589	0.9
315.13321	2.7
316.14325	1.4
321.12180	0.9
322.12909	2.9
323.13904	2.3
324.10822	3.4
325.11798	2.1
326.12244	1.3
327.13449	1.2
330.12631	0.8
331.13104	2.5
332.14001	2.0
334.15628	1.1
337.11810	2.2
338.12515	2.0
339.13330	10.1
340.14105	7.9
341.14706	1.3
345.14722	1.3
346.15305	1.3
347.16327	1.1
351.19354	1.7
360.13232	1.1
360.17325	1.2
364.16400	1.1
370.15585	0.9
371.16068	1.3
372.16998	2.0
374.15146	1.8
376.16580	0.9
377.17407	0.9
378.18088	1.7
388.16675	1.6
391.18909	0.8
392.15900	1.6
392.19852	1.7
400.16513	1.3
402.18085	1.1
404.15738	0.8
406.17587	3.4
410.20850	2.7
418.17371	2.8
419.18164	2.1
420.19180	9.4
421.19589	1.2
422.17010	0.8
424.18814	2.7
432.19150	0.7
434.21225	1.7
435.18469	0.8
436.18674	2.2
437.19437	21.8
438.20181	16.7
439.20526	1.3
442.17780	1.3
444.19141	0.8
448.18753	1.8
450.20227	8.2
451.20721	1.9
460.18741	3.0
462.20151	8.6
464.18109	12.7
465.18848	9.2
466.19531	10.8
467.20090	1.0
478.19717	43.6
479.20288	13.3
480.21335	6.9
510.22324	10.2
511.22961	4.6
565.24207	1.1
583.25452	13.9
584.25879	1.4
601.26477	100.0
602.26770	13.7
633.28137	4.4
633.37952	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71704	0.9
53.03967	1.0
53.51772	0.9
55.05496	1.1
65.03981	1.1
66.71259	0.9
67.05494	1.6
69.07068	3.5
70.10542	3.4
79.05483	2.3
81.03415	1.0
94.06559	1.3
95.04964	2.1
97.10181	1.1
103.05469	1.3
105.07021	1.4
106.06599	1.1
107.04957	1.5
107.08623	1.1
108.08129	1.9
119.08573	1.1
121.06461	0.9
122.06043	6.8
123.04414	2.3
131.04959	2.0
134.06027	3.5
136.07571	21.3
137.05998	2.1
138.05507	2.4
139.03912	2.2
140.07033	11.8
144.04552	0.9
146.06015	6.8
146.09662	1.4
148.07605	4.6
151.03949	2.7
151.07527	1.3
152.07088	4.3
153.01889	1.9
162.05553	1.5
164.07048	21.7
166.08626	6.0
167.07019	9.1
172.03922	4.6
174.05511	3.7
176.07063	16.2
182.09808	1.4
185.08066	1.4
190.05011	3.0
192.06598	1.7
197.10759	1.1
204.06544	7.5
206.08139	3.0
207.10213	0.9
208.09766	3.2
210.11517	3.0
211.12289	1.9
221.10771	2.5
223.12360	2.9
224.09503	1.6
224.13052	1.8
225.10234	3.0
225.13914	2.3
227.11760	2.3
235.12335	3.7
236.09352	1.6
236.12997	2.2
237.10147	10.9
237.13934	2.6
238.10997	14.0
239.11780	19.6
240.12315	1.4
244.98293	1.0
247.12361	1.5
248.09479	3.7
249.10242	6.0
250.11032	3.8
251.11760	12.5
252.12444	3.7
253.13414	3.3
261.12515	1.6
263.11768	24.6
264.12390	5.7
265.09747	7.7
265.13370	22.9
266.10596	1.7
266.13843	1.6
267.11279	3.8
268.12039	1.1
269.12762	2.5
270.13629	1.8
271.14441	5.9
275.11945	1.3
277.09665	4.1
277.13385	2.7
278.10590	3.9
279.11252	95.6
280.11795	13.2
281.12750	4.9
282.13654	1.3
283.10883	1.8
283.14377	3.3
285.12387	2.3
287.13919	4.8
289.15372	1.2
291.11169	7.4
292.12128	1.4
293.12778	6.6
294.13376	2.1
295.10831	2.0
295.14282	2.1
296.11761	3.1
297.12299	68.1
298.13016	10.5
299.13937	2.3
307.04626	1.8
309.12289	50.9
310.13010	20.7
311.13696	8.4
313.11789	3.8
319.10794	4.7
321.12280	9.5
322.12933	1.2
325.11755	3.1
331.12720	1.5
337.11792	44.2
338.12540	17.2
339.13345	67.3
340.13678	6.1
342.16003	1.2
345.14487	3.2
358.15292	1.1
369.14420	54.2
370.15030	13.5
371.15976	67.4
372.16507	7.1
400.16531	2.9
402.18256	1.1
438.20279	1.9
442.17352	1.6
450.19849	1.5
460.18643	39.4
461.19165	7.6
478.19711	28.2
478.26620	1.3
479.20172	6.4
480.21191	7.5
481.21286	1.3
492.21121	2.0
510.22318	100.0
511.22623	14.5
583.25372	2.8
596.47314	1.1
601.26514	59.7
602.26862	8.6
633.29419	12.4
634.29089	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	633.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39186	0.6
55.01846	0.7
63.40895	0.7
67.05486	1.5
69.07074	3.2
69.37156	0.6
84.89827	0.6
91.05466	1.3
93.07052	1.3
94.06569	3.4
106.06535	1.8
108.08135	1.8
110.76711	0.7
118.06586	0.8
118.63585	0.6
120.04465	1.4
122.06017	11.1
123.04473	0.8
134.05995	2.1
136.07578	13.8
137.05957	0.9
139.03831	0.9
140.07059	13.6
144.04407	1.0
146.05994	11.1
146.09668	1.2
148.07549	8.1
150.09094	1.3
152.07034	3.3
162.05434	1.2
164.07045	13.9
166.08652	10.8
167.07057	1.2
172.03931	5.4
174.05492	4.5
174.09137	1.0
176.07063	14.7
187.09006	0.7
190.04948	3.6
191.05731	0.8
192.06580	0.9
199.12520	0.7
204.06567	6.2
206.08110	1.7
208.09628	2.1
209.10727	0.8
209.39020	0.8
210.11507	1.7
211.12239	1.7
216.10196	0.7
218.08185	1.6
221.10855	0.9
223.12222	2.3
224.09425	1.8
224.13019	0.8
225.10275	3.7
225.13789	1.1
227.11754	1.9
229.47678	0.8
235.08615	1.0
235.12430	3.8
236.13011	1.7
237.10172	8.5
237.13890	2.3
238.10980	12.8
239.11761	13.3
240.12218	1.4
241.09727	1.4
246.07654	1.9
248.09465	1.9
249.10239	5.5
250.11024	2.8
251.11768	10.5
252.12363	2.3
253.13283	3.0
255.11311	1.1
261.12396	2.3
262.08429	0.9
262.10974	1.3
263.11758	12.3
264.08817	2.4
264.12482	3.8
265.09732	6.8
265.13348	21.7
265.56290	0.7
266.10507	1.4
266.13831	1.5
267.11298	3.2
269.12891	1.0
271.14398	6.8
275.11694	2.1
277.09738	5.6
277.13272	3.0
278.10443	3.4
279.11267	100.0
280.11887	11.9
281.12787	3.1
283.10770	2.1
283.14197	0.9
284.11624	1.2
285.12305	3.1
287.13898	7.3
288.51718	0.7
289.15433	2.0
291.11307	4.0
292.11700	1.3
293.12802	5.9
294.13297	1.7
295.10696	3.2
295.14352	2.0
296.11615	3.0
297.12317	52.3
298.12930	8.9
299.13843	1.4
303.11227	1.0
309.12308	30.6
310.13058	16.7
311.13751	4.3
313.11789	6.7
315.13196	1.2
319.10760	3.8
320.11053	1.1
321.12375	9.0
323.10165	1.2
323.14011	0.8
324.11005	2.6
325.11755	3.9
331.12967	2.1
337.11801	51.6
338.08578	1.5
338.12515	21.4
339.13376	62.5
340.13837	7.2
345.14462	2.9
367.12900	1.0
369.14389	9.4
370.15308	3.7
371.16013	36.9
372.16565	3.7
385.13885	2.3
387.94019	0.7
388.16483	1.1
392.19476	1.3
400.16522	2.2
401.17612	0.9
416.19421	1.1
418.17395	1.9
432.18896	1.0
437.19247	1.2
438.20309	5.6
442.17490	3.1
450.20490	1.1
460.18665	53.6
461.19009	8.6
464.18250	1.7
465.18643	1.0
466.19522	2.8
478.19724	38.9
479.20261	6.0
480.21274	10.6
481.21423	1.6
492.20972	0.9
493.21902	1.2
496.20435	0.8
510.22333	12.6
511.22522	3.3
583.25323	2.7
601.26556	42.8
602.27087	5.7
633.28772	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	633.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00689	0.8
65.96682	0.7
69.07057	1.4
85.00294	0.7
85.00802	0.8
94.06541	1.9
98.22512	1.3
106.06573	1.1
108.08097	1.1
122.06041	4.2
123.31272	0.9
134.06000	1.3
135.55235	0.7
136.07559	13.7
137.05910	1.0
140.07024	5.4
146.06010	5.2
147.77580	0.8
148.07558	5.9
150.09106	1.2
152.07091	2.5
155.50241	0.8
162.05569	1.0
164.07072	11.4
166.08670	2.0
172.03935	1.9
174.05510	2.9
176.07045	15.5
189.09088	1.2
190.05061	2.4
192.06560	1.4
197.10696	0.9
204.06538	1.8
208.09813	0.9
209.10838	1.1
210.11505	1.1
211.12314	1.6
221.10802	1.7
223.12375	1.7
224.09439	1.5
224.13019	1.2
225.10204	3.9
227.11761	1.3
235.12337	2.4
236.13129	1.6
237.10164	6.5
237.13776	1.7
238.11011	12.3
239.11771	9.4
240.12373	1.2
249.10287	1.8
250.11163	2.2
251.11806	9.0
252.12570	2.2
253.13362	2.2
255.11330	1.0
261.12473	1.5
262.10831	1.2
263.11810	5.0
264.09064	1.8
264.12433	1.2
265.09805	3.5
265.13388	12.1
266.10431	2.1
266.13574	0.8
267.11200	3.9
269.12915	1.3
271.14365	6.0
275.11789	1.4
277.09924	1.6
277.13422	3.0
278.10522	3.3
279.11261	100.0
280.11798	11.8
281.12820	4.0
283.10776	2.2
283.14218	1.5
285.12387	1.2
287.13782	4.5
291.11414	1.6
293.12802	6.4
294.13422	1.1
295.11002	1.4
295.14410	1.9
296.11719	2.4
297.12323	46.6
298.12949	7.7
299.13800	1.2
309.12347	14.7
310.13113	7.5
311.13876	3.9
313.11765	4.1
319.10672	1.7
321.12311	12.3
322.12869	1.4
323.10318	1.1
324.11237	1.6
325.11584	3.8
331.12946	1.8
337.11813	26.2
338.12524	10.9
339.13376	82.2
340.13837	7.2
341.15213	0.9
369.14304	2.6
371.16058	12.7
372.16400	1.1
392.19791	1.5
400.16467	1.9
401.17664	0.8
416.19620	1.3
418.17303	1.2
437.20071	0.8
438.20215	3.4
442.17584	3.8
450.20026	1.0
460.18665	39.1
461.19073	6.6
462.20047	1.4
464.17917	1.0
465.18842	1.2
466.20078	1.1
478.19724	30.1
479.20160	6.3
480.21341	7.4
510.22641	3.7
511.23334	0.9
532.66339	1.1
583.25043	2.2
584.25873	0.8
601.26514	80.1
602.26776	10.9
612.82794	0.8
633.29181	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37229	1.7
55.05484	2.2
67.05499	6.7
67.22474	1.6
69.06709	3.2
69.07066	40.8
70.10523	6.7
74.69585	1.8
79.05500	3.0
81.03394	1.9
81.07050	7.5
87.93516	1.9
91.05462	4.5
93.07049	5.8
95.04978	3.7
95.08607	4.0
105.07021	4.8
106.06515	1.8
107.08588	5.0
108.08103	9.5
109.10172	2.9
119.04905	1.6
120.08088	2.0
121.08873	4.4
121.10164	3.0
122.06030	5.6
122.06844	2.1
122.09622	2.9
123.04410	3.9
133.10098	2.3
134.06046	2.9
136.07570	14.2
137.05997	3.8
138.05481	5.2
139.03928	3.4
140.07056	70.2
145.10107	2.3
146.06026	4.0
147.06763	3.1
148.07567	12.5
150.09137	9.1
151.03903	3.9
152.07072	57.6
153.01810	2.6
162.05486	3.0
164.07021	3.7
165.09201	2.0
166.08669	10.3
173.13322	1.9
174.05588	3.2
176.07098	8.1
192.10071	1.9
193.08633	3.8
194.08139	5.7
198.11624	2.2
204.06483	2.8
211.12361	3.5
212.13049	2.1
221.08145	4.6
225.10205	7.7
225.13821	2.4
226.10884	2.0
237.10231	5.2
238.10982	3.8
239.11765	28.8
240.12437	3.6
241.09549	2.6
242.11661	1.9
243.11395	2.5
243.22028	1.8
246.07590	3.0
251.11824	4.5
252.09363	1.9
252.12511	3.4
253.13387	5.1
253.65652	2.0
255.11378	3.9
261.12286	3.8
263.11816	5.5
264.12540	2.1
265.09714	7.3
265.13235	8.5
266.10486	7.3
266.13815	2.9
267.11154	10.6
271.10986	2.0
271.14304	9.9
279.11288	18.8
280.11942	12.1
281.09470	4.8
281.12851	22.5
283.10748	6.4
284.11539	5.3
285.12350	9.7
287.13864	7.3
289.15506	3.3
291.11407	2.6
295.10712	3.5
295.14404	3.5
296.11578	3.5
297.12231	15.2
298.13068	22.7
299.13913	15.0
307.10822	2.3
309.12244	4.4
310.13016	4.8
311.10196	4.6
311.13846	7.2
313.11954	8.5
315.13385	5.2
316.14056	2.8
322.12958	4.0
323.13867	4.0
324.11038	5.2
325.11844	2.6
326.12219	2.1
331.13022	3.7
332.13971	2.8
337.11713	4.8
338.12427	5.2
339.13345	17.7
340.14215	9.0
345.14359	6.0
347.16550	2.3
351.19351	4.5
371.15881	4.8
372.16785	7.4
374.14636	2.6
377.17328	2.4
378.18167	4.7
379.19131	2.3
392.20020	2.6
399.15482	3.0
400.16461	4.3
401.17078	3.2
406.17725	3.9
410.20654	6.0
418.17459	3.8
419.18030	2.9
420.19067	15.2
424.18436	4.1
433.17984	3.4
436.18735	3.5
437.19427	36.8
438.20282	38.2
439.20358	2.3
442.17474	4.6
448.18579	3.3
450.20203	15.5
451.20493	3.2
460.18484	10.5
462.20477	9.6
464.18176	23.1
465.18787	17.5
466.19785	16.1
471.34769	2.6
478.19705	84.5
479.20325	22.6
480.21133	13.6
510.15433	3.1
510.22336	38.1
511.22986	19.7
512.23615	3.9
559.25067	2.7
565.24475	2.2
583.25397	25.3
584.25403	3.4
601.26520	100.0
602.26813	17.6
633.26770	10.9
633.38007	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	633.378
Annotation	Myriceric acid A
Peak:m/z	Relative Intensity
51.02365	0.3
53.03927	0.5
55.05510	2.6
57.07060	0.6
63.02354	1.0
65.03927	0.3
67.05202	0.3
67.05502	3.2
68.05795	0.4
69.03419	0.3
69.06717	0.3
69.07064	4.1
69.32635	1.4
69.33052	0.5
71.04990	0.3
71.75460	0.4
73.25056	0.3
77.03911	0.5
79.05487	4.7
81.07047	7.1
83.04980	3.3
83.08626	1.4
89.03912	11.4
91.05466	3.6
93.07037	6.8
95.04931	1.0
95.08598	10.9
96.08913	0.4
97.06557	0.7
97.10139	0.8
103.05440	0.6
105.04458	0.3
105.07021	12.3
107.04948	2.9
107.08586	10.9
108.08868	0.3
109.06503	1.1
109.10150	4.1
111.08083	0.7
117.03370	14.1
117.06960	1.2
119.08570	17.5
121.06484	1.0
121.10139	7.2
123.08108	0.7
123.11688	2.9
125.09586	0.5
128.06259	0.6
129.07001	0.9
130.07880	0.3
131.08566	3.4
131.55983	0.3
133.06508	0.3
133.09167	0.5
133.10127	8.2
133.11136	0.5
133.35649	0.3
135.04407	24.8
135.08014	1.1
135.11690	6.3
136.04747	0.5
136.11987	0.4
137.13225	1.3
139.07518	0.3
139.11185	0.7
141.06941	1.0
142.07761	0.7
143.08557	3.1
143.74664	0.3
145.02838	20.2
145.06511	0.5
145.10109	4.3
146.03168	0.6
147.08025	1.0
147.11676	4.9
149.09587	1.4
149.13240	1.9
151.11209	0.5
153.09064	1.0
155.08496	1.8
156.09291	0.8
157.10120	3.7
159.08066	0.6
159.11691	3.3
161.09613	2.6
161.13249	3.1
163.03891	100.0
163.14801	1.5
164.04233	4.0
169.10187	1.7
171.11665	2.6
173.09560	0.6
173.13275	4.0
174.13628	0.4
175.11267	1.7
175.13559	0.3
175.14804	8.8
176.15178	0.3
177.12779	0.4
177.16359	2.6
181.04903	0.8
181.10176	0.5
182.10947	0.7
183.11650	1.8
184.12190	0.3
185.13290	1.6
187.11098	0.7
187.14792	4.3
188.15034	0.3
189.12773	0.6
189.16370	19.9
190.16728	0.8
191.17860	2.2
192.18108	0.3
195.11685	0.7
197.13243	2.9
198.13953	0.5
199.14804	3.5
201.12715	0.6
201.16435	2.2
203.17952	0.4
207.13698	0.4
207.17442	0.8
209.13258	0.8
211.14813	1.2
212.06750	0.3
213.16324	2.3
215.14333	3.0
215.17900	0.8
217.13914	0.6
217.15863	8.4
218.16109	0.4
219.17419	0.6
221.15266	0.4
225.16322	0.7
227.17871	1.4
229.15810	1.0
229.19557	0.9
231.17447	0.8
233.19096	0.4
235.16907	6.2
237.16284	0.4
239.17996	0.6
241.19467	0.9
243.17377	0.4
243.21109	0.7
245.18979	1.0
253.19518	2.6
257.18924	0.9
259.16837	0.4
261.14835	1.1
263.16382	0.6
265.19562	0.6
267.21011	0.5
269.22638	0.5
271.20566	5.1
272.20859	0.4
275.16635	0.4
285.22043	0.5
299.20117	0.5
313.21814	0.4
317.21078	2.2
389.32120	1.2
397.20154	0.6
407.33084	5.9
408.33240	0.7
409.34402	0.4
435.32455	3.1
436.32990	0.5
453.33597	5.2
454.33875	0.5
456.12790	0.4
587.37311	2.5
588.37958	0.5
633.37793	92.9
634.38135	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	633.3782
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	6.1
57.07079	1.6
58.58277	1.2
65.03939	3.0
67.05513	8.0
68.41834	1.3
69.07068	7.4
69.25146	10.9
79.05491	8.7
81.07059	17.5
83.04979	4.5
83.08617	2.9
85.02905	1.9
87.22751	1.5
89.03894	1.7
91.03970	1.6
91.05466	20.7
93.07035	13.3
95.04959	3.3
95.08598	17.8
97.06556	2.4
97.10178	1.7
105.07019	25.9
106.07319	1.3
107.04962	4.0
107.08588	14.8
109.06493	2.9
109.10148	9.9
111.08067	2.8
117.07008	4.4
119.04932	28.2
119.08572	33.9
121.06522	2.1
121.10135	12.1
123.11701	2.2
123.96148	1.2
125.09639	2.4
129.07004	4.0
130.07823	2.1
131.08557	13.8
133.10109	18.7
135.04428	3.8
135.08055	1.7
135.10684	1.5
135.11685	4.9
137.13245	1.5
142.07829	3.3
143.08559	6.4
145.10123	28.2
147.04396	100.0
147.11665	12.7
148.04750	4.1
149.09642	1.4
149.13173	7.0
149.48563	1.5
155.08629	1.8
156.09399	2.6
157.10118	10.1
159.11691	19.1
161.09653	2.6
161.13246	5.9
163.03909	8.9
163.14832	7.1
165.05510	5.6
167.07042	2.6
168.19073	1.3
169.10175	3.8
170.10925	1.7
171.11687	8.6
172.12422	2.1
173.13263	15.4
175.11188	2.5
175.14810	14.1
177.12735	1.5
177.16406	4.4
183.11694	3.6
185.13268	7.6
187.14796	22.9
189.16391	18.9
191.14319	1.9
193.08661	2.8
195.10153	5.7
195.11798	2.0
196.10631	2.4
197.13298	3.4
199.07370	1.3
199.14804	12.5
200.15166	1.2
201.16344	22.8
201.18100	1.7
202.16762	1.3
203.14334	6.2
203.17961	7.6
205.15877	2.9
211.14862	3.3
213.16391	5.6
215.18040	2.7
217.15858	9.9
221.15288	6.6
225.16309	3.4
227.17941	2.4
229.15910	2.8
231.17438	3.6
235.16922	6.9
237.16383	1.7
238.89453	1.3
239.17921	3.0
241.68579	1.4
243.17078	1.4
247.16908	5.1
253.19638	1.5
267.21164	2.1
344.15811	1.9
387.30435	3.8
405.31473	23.0
407.32816	5.0
421.31149	2.3
423.32526	3.7
433.30890	6.4
451.31946	17.6
569.75671	1.9
633.34589	2.2
634.33667	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07957	0.8
51.28586	0.8
53.03934	1.1
54.20295	0.8
54.94941	0.8
55.05516	3.8
61.98410	0.9
62.45690	0.8
65.03931	2.4
65.42978	0.8
67.05512	5.8
69.03410	1.2
69.07059	6.2
69.54432	3.0
69.54839	1.8
71.05000	0.8
71.80530	0.8
79.05494	5.8
81.07052	11.4
82.33545	0.8
83.04964	3.7
83.08614	2.5
89.03898	1.5
91.05476	20.9
93.06503	1.3
93.07045	12.5
95.04955	1.5
95.08601	15.8
96.08965	0.9
97.06530	2.1
97.10168	1.6
105.07026	14.6
107.04945	0.9
107.08591	18.9
109.06487	1.5
109.10153	8.0
111.08092	1.5
117.06992	2.2
119.04936	27.8
119.08578	18.4
121.10146	11.3
123.08073	1.6
123.11687	3.8
125.05972	0.9
125.09613	1.8
128.06210	0.9
129.06981	2.1
131.08560	6.5
133.10118	9.9
135.04439	2.6
135.11690	4.8
137.09622	2.1
137.13242	1.7
143.08568	4.9
145.02820	1.5
145.10101	15.6
145.18216	0.9
147.04402	100.0
147.11694	8.2
148.04790	2.4
149.13255	6.6
155.08566	2.2
157.10132	5.5
159.08014	0.8
159.11707	5.9
159.32797	0.8
161.13284	4.4
163.03896	10.7
163.14792	7.2
164.04323	0.8
165.05519	5.3
165.06737	1.0
165.12778	2.4
169.10107	4.1
171.11667	6.4
173.13283	9.2
175.11212	1.1
175.14804	8.6
177.09032	0.8
177.16391	2.3
183.11694	3.5
185.13272	2.9
187.14809	9.7
189.16394	5.3
191.14282	1.1
191.17999	0.9
195.11613	1.1
197.13292	2.3
199.14830	5.2
201.16382	7.0
203.14395	0.8
203.17970	3.2
205.15878	1.8
209.13239	1.5
211.14838	2.3
213.16379	8.6
215.17899	3.1
217.16057	1.3
223.14856	1.8
225.16426	2.6
225.49121	0.8
227.18030	2.8
231.17467	2.2
233.18954	1.1
237.16339	1.6
237.67366	0.8
239.17952	3.7
241.19518	13.0
242.19817	1.0
243.21069	2.8
247.17119	1.2
253.19582	3.8
255.21092	1.6
257.19019	1.0
259.17007	2.3
259.20453	0.9
267.21078	2.7
269.22693	0.9
273.18512	1.3
277.19504	1.0
279.20911	1.2
285.18549	1.4
291.20795	1.1
333.25571	0.9
347.27356	1.5
353.24582	1.0
387.30432	1.8
388.31372	0.9
389.32031	1.9
393.27786	2.7
405.31497	19.4
406.31876	2.6
407.28766	0.8
407.33221	9.7
423.32431	2.2
433.30957	2.8
441.33627	2.6
451.32068	14.2
452.32532	2.1
453.33859	1.7
611.31586	1.0
633.36389	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	633.378
Annotation	Myriceric acid A
Peak:m/z	Relative Intensity
51.02372	0.1
51.39905	0.1
53.03944	0.2
55.01867	0.1
55.05509	0.2
62.01590	0.2
63.02351	0.7
65.03937	0.1
67.05507	0.4
69.07059	0.2
69.67760	0.1
69.68167	0.3
77.03957	0.1
79.05489	1.6
79.45294	0.1
81.07061	0.5
83.08624	0.2
87.17401	0.1
89.03912	10.7
90.04255	0.2
91.05463	0.4
93.07051	0.5
95.04978	0.4
95.08606	0.7
96.08984	0.1
97.06516	0.1
97.10126	0.1
105.04517	0.2
105.07012	0.4
107.04948	2.6
107.08615	0.5
109.10143	0.3
111.08028	0.1
117.03374	11.2
118.03718	0.4
119.04905	0.2
119.08553	0.6
121.10120	0.5
123.08093	0.1
125.09626	0.1
131.08562	0.2
133.10127	0.4
135.04405	22.8
135.11650	0.4
136.04732	0.7
145.02838	13.8
145.10060	0.1
146.03188	0.4
147.04341	0.4
147.11681	0.3
147.14973	0.1
149.13275	0.1
153.09209	0.1
158.06023	0.2
159.11636	0.2
160.99652	0.1
161.13216	0.2
163.03888	100.0
164.04222	3.6
165.04311	0.1
173.13306	0.2
175.14825	0.2
177.16367	0.1
186.05420	0.4
187.14787	0.3
189.16423	0.5
191.14310	0.1
199.14746	0.1
201.16391	0.1
203.17952	0.3
217.15759	0.1
407.32901	0.1
425.34113	3.9
426.34531	0.4
435.32928	0.1
453.33389	0.2
469.33099	0.5
633.35925	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	633.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.3
55.05502	0.2
56.00934	0.1
59.48988	0.1
63.02357	0.6
67.05489	0.1
78.21638	0.1
79.05489	1.7
81.07035	0.3
89.03911	10.9
90.04244	0.2
91.05513	0.2
93.07062	0.2
95.04965	0.4
95.08595	0.6
96.48308	0.2
105.04531	0.2
105.07000	0.4
107.04954	2.5
107.08611	0.4
109.10132	0.3
111.08073	0.1
117.03373	11.8
118.03671	0.3
119.08562	0.4
121.10144	0.3
133.10136	0.3
135.04407	22.4
136.04716	0.6
145.02840	15.3
145.10100	0.2
146.03197	0.4
147.11684	0.3
149.13287	0.2
159.11621	0.2
161.13217	0.3
163.03893	100.0
163.14821	0.4
164.04225	3.2
173.13332	0.2
175.14842	0.2
177.16341	0.2
186.05473	0.3
187.14832	0.1
189.16376	0.3
191.14351	0.5
191.17896	0.2
201.16327	0.2
203.17914	0.7
211.14462	0.1
213.16396	0.1
261.18347	0.2
395.33029	0.4
407.33023	0.6
425.34171	1.7
453.33203	0.2
606.23822	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	633.378
Annotation	Myriceric acid A
Peak:m/z	Relative Intensity
51.02359	0.4
51.83390	0.2
53.03925	0.3
55.05513	1.3
57.07053	0.5
62.01573	0.3
63.02351	1.0
65.03930	0.3
67.05502	1.9
69.07063	2.6
69.07407	0.4
69.07848	2.1
72.84800	0.2
77.03902	0.3
79.05479	2.8
80.09043	0.2
81.07053	5.3
83.04977	2.8
83.08617	1.1
85.06523	0.3
89.03912	10.1
90.04235	0.2
91.05466	2.1
93.06506	0.3
93.07040	4.1
95.04962	1.1
95.08596	8.5
95.09203	0.5
96.08881	0.3
97.06530	0.7
97.10173	0.6
105.06335	0.4
105.07027	7.3
105.88651	0.2
107.04945	2.9
107.08590	6.9
109.06485	0.8
109.10159	2.9
110.21423	0.2
111.08096	0.5
115.05518	0.2
117.03372	12.3
117.07009	0.7
118.03664	0.3
119.04841	0.2
119.08574	11.4
120.08894	0.2
121.06509	0.7
121.10130	5.5
122.10452	0.2
123.08079	0.7
123.11697	2.7
129.06985	0.8
131.08560	2.3
133.06459	0.5
133.09146	0.4
133.10121	6.0
135.04407	22.2
135.08025	0.8
135.11679	5.6
136.04738	0.7
137.09595	0.3
137.13239	0.8
139.07501	0.3
139.11133	0.3
141.06970	0.8
142.07784	0.7
143.08562	2.2
144.09293	0.2
145.02840	16.6
145.10101	2.9
146.03152	0.3
147.04460	0.2
147.08040	0.7
147.11667	3.5
149.09622	1.1
149.13232	1.4
151.11230	0.2
153.09087	0.7
155.08534	1.1
156.09305	0.2
157.10112	2.7
159.08034	0.6
159.11699	2.2
160.51717	0.2
161.09615	2.2
161.13258	2.5
163.03889	100.0
163.14824	1.6
164.04202	3.0
165.09175	0.2
168.09473	0.2
169.10121	1.2
171.11691	1.9
171.48743	0.2
172.12408	0.2
173.09630	0.4
173.13283	2.8
175.11221	1.0
175.14804	7.8
176.15099	0.3
177.12723	0.3
177.16382	2.6
181.04881	0.3
182.10931	0.4
183.11705	1.1
184.12416	0.2
185.13242	1.2
186.05490	0.5
187.11192	0.4
187.14772	2.9
189.12755	0.7
189.16374	15.8
190.16743	0.9
191.17979	2.0
193.08591	0.2
193.15796	0.2
195.11644	0.3
197.13257	2.7
199.14789	3.0
201.12767	0.6
201.16386	1.4
203.14240	0.3
203.18045	0.4
207.13586	0.2
207.17453	0.8
209.13295	0.4
211.14731	1.0
213.12766	0.2
213.16382	1.7
215.14359	2.4
215.17915	1.1
216.14583	0.2
217.15868	7.2
218.16241	0.4
219.17458	0.5
223.14854	0.4
225.16432	0.5
227.17955	1.5
229.15887	0.9
229.19524	0.7
231.13974	0.3
231.17447	0.5
233.15375	0.3
233.18964	0.5
235.16902	4.8
239.17833	0.5
241.19513	0.5
243.17477	0.3
243.21130	0.5
245.19031	0.6
253.19531	2.5
254.19888	0.3
255.21136	0.3
257.19012	0.7
259.20496	0.2
261.14798	0.6
263.16388	0.8
265.19498	0.3
267.21002	0.4
271.20547	4.4
272.20831	0.3
273.18402	0.4
275.16495	0.4
283.20770	0.3
285.22208	0.3
293.22583	0.2
299.20181	0.3
303.19446	0.2
311.23676	0.3
315.23291	0.3
317.21036	1.5
351.23111	0.4
369.81308	0.2
389.32129	0.8
390.32224	0.3
397.20044	0.4
407.33020	4.5
408.33313	0.5
435.32626	2.7
436.32507	0.3
439.32208	0.3
453.33627	11.8
454.34064	1.2
456.80017	0.3
469.33121	0.9
587.37274	1.7
588.37555	0.6
633.37781	67.2
634.38135	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	633.3777
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.9
55.05511	2.8
57.07082	1.3
60.73820	0.9
67.05494	3.9
69.07069	6.1
69.24799	2.0
69.25211	4.7
71.89641	0.8
78.56045	0.8
79.05490	5.7
81.07049	14.5
83.08627	7.2
89.03916	7.6
91.05486	6.8
93.07031	10.7
95.08607	14.8
97.10139	1.3
98.22444	1.3
101.10966	0.9
105.07024	10.9
107.04938	1.6
107.08601	14.6
109.06533	2.4
109.10163	7.7
117.03378	8.4
117.07012	1.8
119.08582	18.5
121.10139	10.8
123.08105	0.9
123.11710	7.5
127.07579	1.9
129.06975	1.0
131.08556	7.5
133.10133	12.1
135.04414	18.2
135.11681	9.9
137.13229	1.5
143.08585	5.5
145.02838	12.5
145.10089	11.3
147.04402	0.9
147.11679	8.1
149.13243	6.5
155.08575	1.2
156.09410	0.9
157.10147	3.6
158.10899	1.1
159.11702	9.2
161.13269	7.2
163.03900	100.0
163.14827	3.8
164.04247	3.7
165.12794	0.9
169.10132	3.1
169.97263	1.2
171.11720	3.7
173.13258	6.4
175.14806	9.0
177.05460	0.9
177.09149	2.1
177.16411	6.6
181.04944	20.0
183.11656	2.6
185.13235	6.3
187.14828	8.0
189.16382	8.9
191.17879	1.2
195.11734	1.3
197.13245	2.3
199.14780	4.9
201.16365	15.0
201.76715	0.9
202.16753	0.9
203.17984	10.8
205.15892	3.7
207.17314	2.1
211.14771	2.7
213.16374	10.0
215.17934	3.9
225.16402	1.1
227.17885	1.4
231.13753	1.2
231.17400	2.1
233.15564	0.9
237.16393	1.4
239.17966	1.8
241.19577	1.8
245.15274	1.8
247.16914	1.8
253.19472	2.0
259.16882	5.3
279.21191	0.9
297.18430	1.1
299.19995	1.4
311.19995	1.0
327.23245	1.1
353.24637	1.0
363.30405	1.2
389.24045	0.9
389.31979	4.5
407.33176	7.0
409.31009	6.9
410.30298	0.9
435.32556	20.8
436.32980	2.2
500.39722	1.0
610.89050	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3784
Annotation	3-O-trans-p-coumaroyl actinidic acid
Peak:m/z	Relative Intensity
51.51834	0.6
53.03936	0.9
55.05504	5.6
57.03428	0.8
57.07068	0.7
65.03933	2.7
67.05500	7.8
69.03427	1.5
69.07066	4.7
69.23270	0.9
69.23670	4.3
79.05493	8.5
81.07055	20.4
83.04995	4.7
83.08617	2.4
89.03904	1.3
91.05476	23.3
93.07040	14.0
95.04958	2.0
95.08602	19.4
96.08977	0.7
97.06488	1.0
97.10172	1.7
99.08113	0.6
100.78606	0.7
103.05437	0.7
105.07021	18.2
106.07373	0.9
106.11969	0.6
107.04945	0.6
107.08584	17.8
108.08859	0.8
109.06522	4.2
109.10159	10.6
111.08064	1.7
117.03359	1.1
117.07021	3.9
119.04939	30.9
119.08575	22.1
121.02879	1.0
121.06496	0.9
121.10136	12.3
123.08030	1.6
123.11701	4.6
125.09605	3.7
127.07547	2.3
128.06194	0.9
129.06984	2.3
130.07797	1.0
131.07651	1.0
131.08572	9.7
133.10117	14.8
135.04401	3.2
135.08046	1.0
135.11670	6.3
137.09610	0.7
137.13254	0.8
142.07724	0.8
143.08539	6.8
145.02840	1.9
145.10130	16.1
147.04399	100.0
147.11668	7.6
148.04744	3.1
149.09610	1.0
149.13225	4.4
151.11163	1.3
155.08527	2.2
156.09285	1.8
157.10112	6.7
158.10855	0.7
159.11687	14.4
160.12021	0.7
161.13261	7.7
162.13481	0.8
163.03902	11.9
163.11145	1.1
163.14803	2.2
165.05466	7.6
169.10152	3.5
170.10841	0.9
171.11694	7.3
173.13242	9.7
175.14825	6.0
177.09152	0.9
177.12807	0.7
177.16365	2.3
181.04933	1.4
181.10205	1.4
182.10828	0.9
183.11720	4.3
184.12401	0.7
185.13246	11.2
187.14810	13.4
189.16341	6.0
191.14290	1.9
191.17992	1.2
194.10907	0.9
195.11668	1.7
196.12357	0.7
197.13268	4.8
199.14799	9.9
201.16380	12.6
203.14348	1.2
203.17955	1.9
205.15915	2.9
209.13211	1.8
211.14812	3.9
213.16389	9.3
214.16853	1.1
215.14310	2.7
215.17911	4.1
217.15871	2.1
219.13908	0.8
219.17461	5.7
223.14777	1.2
225.16360	2.3
227.14409	1.0
227.17952	2.0
229.15863	1.5
229.19485	0.9
231.13802	1.1
231.17432	1.4
233.15343	1.2
233.19058	0.7
239.17931	2.2
241.19452	3.2
245.15440	1.7
247.16962	1.7
253.19576	1.8
255.20987	0.8
259.16840	3.2
265.19528	1.2
267.21130	2.6
279.20782	1.0
305.22452	0.6
325.21500	0.8
387.30545	2.1
389.32019	0.8
393.27991	1.3
405.31522	14.9
406.31802	2.0
407.33072	2.6
415.29752	1.4
421.30624	1.2
423.32251	1.5
433.30911	8.4
434.31125	0.7
435.32623	2.9
451.32013	11.1
452.32153	1.4
580.51917	0.7
633.22021	1.0
633.35815	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	633.3782
Annotation	3-O-trans-p-coumaroyl actinidic acid
Peak:m/z	Relative Intensity
50.86608	1.0
53.03950	1.2
55.05505	5.0
59.60754	1.0
65.03931	1.5
65.86299	1.1
66.22666	1.0
67.05189	1.0
67.05502	6.4
68.99796	1.9
69.06726	1.1
69.07044	5.5
71.05002	1.2
71.33714	1.0
71.67134	1.0
79.05484	5.7
81.07059	11.1
81.26303	1.0
83.04982	1.7
83.08614	4.8
89.03898	1.9
89.31158	1.1
91.05483	11.1
93.07047	9.5
95.04999	1.0
95.08601	14.9
97.06530	1.4
97.10143	1.2
103.54707	1.1
105.07020	16.4
107.04968	1.8
107.08589	14.2
109.10134	8.4
111.08083	1.9
117.07037	2.4
119.04934	13.2
119.05733	1.5
119.08578	18.6
121.02854	4.7
121.10126	12.0
123.08031	1.9
123.11707	3.7
125.09612	2.5
131.08585	5.6
133.10118	13.3
135.04425	4.0
135.08041	1.9
135.11684	7.1
137.09579	2.0
143.08571	2.9
145.02844	2.3
145.10124	10.4
147.04404	45.2
147.11670	7.9
148.04764	1.4
149.13203	3.9
151.07527	1.3
151.11189	1.1
153.09189	1.1
155.08551	2.1
157.10130	3.5
159.08032	1.3
159.11668	6.4
161.09627	3.0
161.13239	5.2
163.02621	1.6
163.03903	18.6
163.14799	4.7
164.04256	3.1
165.05473	3.0
171.11649	3.5
173.13235	4.8
175.11270	1.3
175.14868	9.0
177.16371	3.1
181.04970	2.0
182.10851	1.2
183.11731	1.8
185.13274	3.0
187.14832	7.9
189.12749	2.4
189.16379	17.6
190.16693	2.2
191.17894	1.5
197.13202	2.6
199.14868	5.8
201.16396	7.8
203.17958	1.7
205.15814	5.1
211.14874	1.9
213.16345	3.1
215.14305	2.0
215.17867	2.3
217.15887	7.1
225.16342	1.1
227.17911	2.6
231.17369	1.5
233.15294	2.4
235.16922	2.5
239.18056	2.1
241.19455	1.5
243.17436	1.2
247.16968	1.4
253.19534	1.3
255.21120	1.2
256.55328	1.1
257.18921	1.5
265.19467	1.1
271.20529	1.5
273.18442	1.5
289.18094	1.9
297.25595	1.2
389.31815	1.7
405.31393	3.9
407.33194	2.8
423.32672	11.0
425.30191	3.0
435.32367	3.9
451.32083	12.5
453.33853	1.9
469.33115	100.0
470.33475	11.8
494.79788	1.5
633.36957	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	633.3782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
54.87545	0.7
55.01857	1.3
55.05511	4.3
57.07059	1.1
62.20339	0.8
65.03951	2.5
67.05499	7.7
69.03434	1.1
69.06121	2.0
69.06523	6.8
69.06818	0.8
69.07067	5.7
71.05024	1.0
79.05492	7.9
80.22143	0.9
81.07050	18.8
81.07504	1.5
81.78679	0.9
83.04980	4.7
83.08614	3.5
85.06537	0.9
91.05473	22.4
93.07043	12.9
95.04968	2.7
95.08599	15.5
97.06535	1.5
97.10181	1.4
103.05499	1.3
105.07030	14.4
107.08585	17.0
109.06521	3.8
109.10149	10.3
111.08089	1.7
112.74263	0.9
117.07034	3.7
119.04939	32.5
119.08570	22.0
120.08946	1.7
121.06474	0.9
121.10146	14.2
123.08041	1.4
123.11717	5.2
125.06005	1.2
125.09629	4.4
127.07543	4.1
128.06236	1.2
129.07040	2.8
131.08563	8.6
131.54117	0.9
133.10127	14.3
134.10519	0.9
135.04401	1.2
135.08006	1.1
135.11696	5.9
137.05957	1.0
137.09648	0.9
137.13287	1.0
142.07837	1.1
143.08551	5.8
144.09331	1.5
145.02895	1.6
145.10117	12.3
147.04402	100.0
147.11705	6.8
148.04755	2.6
149.09628	1.2
149.13275	2.9
151.07478	1.0
151.11157	2.1
155.01216	0.8
155.08592	2.4
156.09352	1.6
157.10139	5.9
159.11673	12.1
159.12743	1.0
161.13243	6.9
163.03984	2.1
163.11215	1.7
163.14870	2.2
169.10112	2.4
171.11681	3.9
173.13193	5.7
175.11288	1.0
175.14767	5.8
177.05397	2.1
177.09163	1.3
177.16463	1.4
179.14417	0.9
183.11745	3.6
185.13258	8.7
187.14822	11.6
188.15172	1.2
189.16376	4.0
191.14287	3.5
195.11639	1.6
197.13179	4.3
199.14839	9.0
201.12695	1.3
201.16365	9.4
205.15961	2.4
209.13332	2.1
211.14783	4.5
213.16357	8.8
215.14366	2.1
215.17987	3.0
217.15930	2.1
219.17497	6.8
223.14757	1.3
227.14227	1.1
227.17870	1.2
231.13757	1.0
233.15329	0.9
239.18004	1.3
241.19553	2.5
245.15364	2.0
252.64378	0.9
253.19522	1.6
255.21144	1.3
259.16992	2.7
267.21033	2.1
331.24106	0.9
369.02588	0.8
387.30438	2.1
394.24570	1.0
405.31464	15.0
407.32962	2.6
415.30096	1.1
423.32593	1.1
433.31018	6.5
451.32114	13.1
452.32291	1.4
551.48822	0.9
633.32916	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	633.3783
Annotation	Myriceric acid A
Peak:m/z	Relative Intensity
55.05507	6.2
55.95580	1.5
57.07073	2.5
57.82478	1.5
65.03935	3.1
66.20020	1.5
67.05507	9.3
69.07071	11.3
70.20691	1.6
71.05016	1.5
71.33531	3.0
79.05489	10.5
81.07052	20.5
83.04980	5.2
83.08628	5.6
84.03247	1.4
84.51836	1.4
85.06545	2.1
89.03902	3.7
91.05484	25.5
93.07046	18.5
95.04996	3.6
95.08607	29.5
96.08987	1.8
97.06498	3.2
99.08089	2.2
105.07032	27.2
107.04965	2.6
107.08597	24.5
108.08949	1.5
109.06515	4.3
109.10147	15.6
111.08087	1.9
117.03403	5.7
117.07036	3.6
119.04951	21.6
119.08578	36.5
119.09421	2.5
119.51578	1.5
120.08875	1.5
121.06514	2.8
121.10166	18.4
121.58126	1.8
123.08073	4.1
123.11724	4.1
125.09653	2.5
129.06970	2.4
130.07791	2.0
131.08577	14.8
133.10133	23.3
134.60947	1.5
135.04419	11.3
135.08069	3.5
135.11714	8.1
137.09608	1.9
137.13260	2.0
143.08575	7.2
145.02824	9.5
145.10132	24.8
147.04408	100.0
147.11694	13.5
148.04756	3.9
149.09627	2.9
149.13292	7.5
153.09116	2.6
155.08621	2.9
156.09306	2.7
157.10143	14.9
159.11693	17.7
161.09608	4.3
161.13280	8.0
163.03902	49.5
163.11264	1.7
163.14861	7.4
164.04230	2.5
165.05495	4.8
165.12776	2.0
169.10210	3.6
170.10924	1.7
171.11690	11.4
173.13243	19.3
175.14813	17.1
176.15233	1.7
176.43924	1.5
177.05394	1.7
177.09093	2.9
177.16393	6.9
183.11702	3.6
185.13307	6.3
187.14813	22.5
189.16365	21.7
191.14240	2.4
191.17995	3.9
195.11751	2.0
197.13272	5.3
199.14813	10.8
201.12935	2.2
201.16376	17.5
202.16644	1.8
203.14372	6.1
203.18019	4.9
205.15961	2.6
211.14864	4.5
213.16293	7.8
215.14264	2.7
215.17841	2.4
217.15875	10.6
221.15350	8.3
225.16373	2.3
227.17903	2.5
229.15955	2.9
231.17332	2.2
235.17012	5.6
239.17844	3.0
241.19548	6.9
247.16939	7.0
249.18633	2.2
253.19594	2.7
265.19440	1.9
267.21136	3.0
271.20663	2.5
291.21423	1.9
331.24045	1.6
387.30643	4.3
389.31744	2.2
393.27740	2.5
405.31461	17.4
407.33057	10.9
421.30698	2.6
423.32675	3.1
433.30948	4.9
435.33038	2.1
451.32056	20.4
452.32648	2.4
453.33655	16.6
615.37854	2.6
633.37817	37.7
634.38000	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	633.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.5
53.62421	0.4
55.01865	0.7
55.05506	8.6
57.03433	0.9
57.07081	2.6
59.04988	2.2
65.03928	1.3
67.05502	23.0
68.05839	0.6
69.03069	0.6
69.03426	7.9
69.06714	1.0
69.07064	13.1
69.43432	1.4
69.43844	1.4
71.04991	3.8
71.08620	1.1
77.03899	0.5
79.05489	6.9
81.03400	2.9
81.07053	23.5
83.04977	8.3
83.08615	6.6
85.02902	1.8
85.06537	2.9
87.08073	0.6
91.05473	7.8
93.07040	14.5
95.04964	2.7
95.08601	34.8
96.08932	0.7
97.02898	1.9
97.06521	2.2
97.10180	2.4
99.04434	0.5
99.08104	3.7
105.06335	0.9
105.07020	9.3
107.08591	26.5
108.08906	1.0
109.02857	1.0
109.06516	9.3
109.10149	100.0
110.10514	2.8
111.04455	0.5
111.08058	3.2
113.09634	0.9
117.07011	2.1
119.08577	38.9
120.08893	1.0
121.06505	0.9
121.10136	16.4
123.08061	13.5
123.08829	0.5
123.11703	8.5
125.09582	1.2
127.03905	1.4
127.11195	0.5
128.06244	0.6
131.08568	2.1
133.10120	23.9
134.10394	0.9
135.11684	94.2
136.12006	2.5
137.09607	14.8
138.10312	0.7
139.11183	2.3
145.10103	1.4
147.11691	2.7
149.13231	6.7
151.11189	7.6
151.14816	10.0
153.12762	1.8
157.10120	0.5
158.19383	0.4
159.11684	0.9
165.16423	2.4
169.10117	0.5
173.13232	0.9
175.14813	41.4
176.15120	1.6
185.13300	0.5
193.15869	51.2
194.16194	2.1
211.16913	39.9
212.17285	1.4
237.14859	0.6
238.44516	0.5
258.74240	0.5
304.46957	0.5
369.24261	0.9
442.85675	0.6
501.10413	0.6
626.00305	0.5
633.33435	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69027	0.4
53.03953	0.5
53.88078	0.4
55.01864	0.5
61.02927	6.8
65.03921	0.7
69.03417	0.5
71.30629	0.5
71.31095	0.7
75.04489	0.9
77.03933	0.4
78.04688	1.5
79.05489	1.7
81.03407	1.0
85.02888	2.7
91.05481	2.5
93.03414	3.0
93.07034	1.3
95.04946	1.8
97.02895	0.5
97.06532	0.7
103.05478	1.3
105.07046	1.0
106.04165	5.7
107.04955	2.7
109.02901	0.5
109.06508	0.6
116.23842	0.3
117.03406	0.5
121.06494	6.7
123.04411	4.1
124.05247	2.3
124.69778	0.3
125.06005	2.2
127.03897	0.7
131.04904	0.6
133.06485	0.6
134.03627	1.4
135.04410	0.7
137.05969	1.6
138.93185	0.4
139.07526	1.7
145.04919	0.6
147.04387	0.5
149.05971	12.1
150.06351	0.5
151.03871	0.9
151.07498	1.1
152.04709	1.2
153.01842	4.0
153.09119	3.0
154.02142	0.5
159.04451	0.4
161.05923	0.7
163.03929	1.5
163.06200	0.4
163.07626	1.0
165.05498	0.5
167.07031	100.0
168.07376	3.5
168.87465	0.4
177.05446	7.9
178.05856	0.7
179.07027	0.6
181.08577	8.0
191.07042	1.4
192.07700	0.4
193.08633	2.0
195.06575	0.8
200.37518	0.4
209.08083	43.9
210.08429	1.8
213.90154	0.5
221.08102	0.6
227.09128	25.0
228.09511	1.4
277.03348	0.6
299.02396	0.4
320.04984	1.1
407.17194	0.5
419.17334	0.5
635.23718	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.8
61.02929	6.6
65.03971	0.7
66.79037	0.6
69.03407	0.8
70.91682	1.2
72.53894	0.7
75.04478	1.0
78.04700	1.7
79.05487	2.4
80.08364	0.7
81.03410	1.3
81.07063	0.7
85.02903	2.2
91.05502	2.9
93.03401	2.8
93.07069	1.8
95.04951	1.7
97.02882	1.1
103.05469	1.7
106.04170	6.8
107.04952	2.6
108.05309	0.8
109.02879	1.0
121.06525	7.0
123.04420	3.9
124.05251	2.9
125.05984	1.9
129.00948	0.7
131.04958	1.0
134.03662	1.2
135.04427	0.8
135.08040	0.9
137.05972	1.4
139.07513	1.6
145.02795	0.9
145.04938	0.6
149.05991	13.0
151.03909	2.3
151.07448	0.7
152.04633	1.2
153.01843	4.8
153.05482	0.6
153.09105	2.5
154.02159	0.8
160.59805	0.6
161.05959	1.3
161.78711	0.6
163.03932	1.7
163.07449	0.9
167.07045	100.0
168.07376	4.2
177.05490	6.3
179.06938	0.7
181.08585	6.5
191.07072	1.2
193.08614	1.5
206.16249	0.6
209.08098	40.1
210.08456	2.2
211.09619	0.8
227.09152	20.3
228.09500	0.7
312.88455	0.6
355.81659	0.7
407.17166	1.0
505.26852	0.7
634.25745	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	634.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.8
65.03929	6.9
67.05502	2.9
73.23158	1.8
78.11946	2.3
79.05489	2.0
91.05474	6.5
93.03406	5.5
93.07011	2.1
95.01306	3.0
95.04965	3.0
98.22622	6.3
103.05431	2.4
106.04178	7.4
107.04944	5.5
110.03651	4.3
111.04427	8.0
121.02869	5.9
121.06529	9.6
125.05998	13.4
129.07033	1.9
131.04915	2.4
135.04419	33.3
137.06013	6.9
139.03857	3.9
147.04424	2.5
149.02396	2.0
149.06007	12.8
151.03876	4.0
151.07600	3.1
153.01862	2.1
153.05467	24.3
153.09109	3.2
161.05986	6.5
161.09608	2.6
163.03906	2.9
163.07570	2.3
165.05600	2.1
167.07031	20.3
167.08406	3.5
168.07355	4.7
177.05466	9.5
181.08586	8.1
181.71552	1.9
189.09067	2.4
193.08578	4.8
195.06493	2.4
195.08095	2.4
209.08069	43.3
210.08525	2.7
211.09605	2.3
218.49484	2.1
223.07576	2.9
224.02934	2.4
225.09198	2.5
235.07425	2.4
237.09067	3.4
239.06931	2.8
240.07764	4.9
251.06996	4.0
253.08578	11.3
253.12247	3.5
254.09360	2.2
266.09384	3.3
266.68274	2.4
267.10153	2.7
269.08179	4.0
270.08878	2.3
281.08234	3.8
281.11615	4.3
283.09634	4.6
285.11206	3.3
285.15027	2.0
295.09937	2.8
299.12823	3.8
306.09283	2.4
309.11179	2.9
310.12128	3.0
313.10681	9.8
313.14145	4.2
325.10797	2.0
327.12219	26.9
328.12680	3.6
331.15643	3.4
341.13644	2.9
359.14886	100.0
360.15210	7.4
371.14886	4.5
452.57516	2.1
455.06039	6.5
537.74054	2.0
599.42993	2.3
635.26843	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	634.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.5
55.01867	13.1
55.05512	2.9
55.32276	0.9
57.03431	2.1
62.89136	1.2
67.05503	5.3
69.03496	16.7
69.07063	11.8
71.04990	5.9
79.05498	12.1
81.03419	26.1
81.07054	19.6
83.04991	3.6
85.02909	3.9
85.05903	1.0
85.06535	4.8
91.05472	5.7
93.07044	28.8
93.07611	1.8
94.17488	1.0
94.82738	1.1
95.04956	5.7
95.08612	9.8
97.02898	3.2
97.06544	9.3
99.04462	9.9
103.05499	1.7
105.07027	21.8
106.07383	1.3
107.04978	2.5
107.08597	45.3
108.08929	1.5
109.02875	20.2
109.03560	1.9
109.06509	11.5
109.10188	1.9
111.04429	1.7
111.08108	7.0
113.06011	4.5
117.06979	2.7
119.08547	7.5
121.06495	13.4
121.10148	24.7
123.04443	2.9
123.08093	6.6
125.05968	2.3
127.03912	21.6
127.07556	1.4
129.03053	1.2
130.07790	1.2
131.08575	2.9
133.06494	3.4
135.08037	5.1
135.11678	12.8
137.05949	5.5
137.09639	1.1
138.06310	1.2
139.07561	1.4
139.11198	2.7
143.08498	1.7
145.06522	1.4
145.10121	23.1
147.08118	1.3
147.11693	3.9
149.05969	3.6
149.09631	12.6
151.03906	1.8
151.07539	8.2
153.01846	1.3
153.12729	1.4
161.06029	2.8
162.10025	1.2
163.11179	64.1
164.11560	2.6
165.12843	1.4
167.07042	94.4
167.10681	23.2
168.07399	3.0
169.08607	64.3
170.08929	2.1
173.09624	4.8
178.05086	1.4
181.08611	3.0
181.12250	14.3
185.11742	4.6
189.09061	1.8
191.10678	31.3
192.11009	1.8
193.08640	4.7
209.11728	35.6
211.09628	13.3
227.12773	100.0
228.13196	3.1
229.10724	7.5
245.13890	1.2
255.12268	2.2
269.13779	5.3
271.13367	1.5
277.10666	1.8
289.14368	4.9
295.11755	1.3
311.14645	1.8
317.13937	2.6
319.11630	2.7
335.15027	6.3
339.07318	1.5
353.15933	34.2
371.16983	27.9
372.17178	1.3
389.17853	2.9
389.82632	1.2
494.64957	1.1
494.73331	1.0
622.86066	1.1
623.30548	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.4
53.64696	2.3
55.01875	9.1
55.05503	5.1
62.97739	2.4
67.05500	5.3
69.03424	11.6
69.07072	11.9
69.09142	22.1
71.04993	5.8
79.05491	10.0
81.03413	22.0
81.07063	26.3
83.04988	4.0
85.02921	6.5
85.06548	7.9
87.17651	2.4
91.05492	10.4
93.07040	28.2
95.04974	8.5
95.08591	14.0
97.02912	4.4
97.06532	6.6
97.57011	2.2
99.04469	9.9
105.07005	21.0
107.04960	5.6
107.08593	45.7
109.02889	21.0
109.06528	6.8
109.10161	5.7
111.04414	3.0
111.08117	4.1
113.06023	3.2
117.06978	5.8
119.08549	11.2
120.93223	2.1
121.06523	13.6
121.10153	25.0
123.04419	8.2
123.08072	9.6
123.11705	3.1
125.06030	2.7
125.09614	2.4
127.03918	18.2
131.08582	4.9
135.08063	4.9
135.11674	12.7
137.02335	2.7
137.05977	17.4
137.09575	3.4
138.06299	3.9
139.03902	2.4
139.07465	2.6
139.18858	2.1
145.10130	21.0
147.04431	3.5
147.08060	2.5
147.11678	5.1
149.05945	5.0
149.09625	8.5
151.03934	8.9
151.07529	9.9
153.01756	3.0
159.11732	2.9
161.06001	3.4
161.09589	2.9
163.11171	52.5
165.09000	3.1
167.07043	88.1
167.10638	15.4
168.07364	7.5
169.08601	63.5
173.09599	6.5
181.08604	3.2
181.12247	15.1
185.11768	4.4
189.09094	8.0
190.09410	3.0
191.10687	25.3
193.08650	6.7
194.32645	2.2
209.11720	34.5
211.09637	20.3
227.12770	100.0
228.13278	3.7
229.10793	9.2
265.14066	2.5
269.13803	7.7
289.14413	4.1
325.14380	3.7
335.14883	7.3
341.10196	2.8
353.15927	40.9
354.16104	3.0
361.46704	2.3
371.17093	22.2
372.17126	3.5
389.18259	3.8
472.22226	5.0
574.46173	2.4
634.27197	28.8
635.26929	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	634.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38818	8.6
69.19231	70.8
79.05481	15.5
81.07061	17.3
87.45961	8.7
91.05463	11.1
93.07027	19.0
96.40984	10.6
105.07005	18.1
107.04942	34.8
119.08547	9.9
133.06500	11.3
133.73242	10.3
135.08029	12.1
143.94917	9.1
147.04427	14.0
147.11649	10.7
161.05984	12.8
163.07555	21.8
167.07048	100.0
187.11317	10.3
193.08620	71.8
195.10161	90.0
426.16437	54.8
451.84686	9.9
575.24707	10.0
634.24237	10.7
635.23987	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	635.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35528	0.6
51.02372	0.9
54.65602	0.6
69.03416	2.1
71.33160	1.0
79.01853	4.5
81.03424	1.3
85.02905	1.1
97.02885	2.2
103.05530	0.8
107.01302	1.8
109.02885	1.1
119.04943	0.9
125.02348	3.5
127.03932	3.1
139.03923	0.7
143.03381	5.6
147.04413	0.6
153.01825	79.2
153.02892	3.7
154.02161	2.1
157.02841	1.3
163.03845	1.0
171.02908	0.7
175.03883	1.7
179.03337	0.7
185.02319	1.3
187.03864	4.7
191.03398	1.1
201.01920	0.9
203.03337	3.2
213.01862	2.4
215.03328	3.7
230.02019	0.7
231.02872	19.4
232.03217	0.7
233.04298	0.9
237.03993	1.1
241.01355	3.2
247.02487	1.3
251.01045	0.6
259.02368	29.4
260.02792	1.7
261.04004	1.4
263.51572	0.5
266.17249	0.6
275.01855	1.5
275.37930	0.6
276.02643	1.2
277.03418	100.0
278.03772	4.4
279.04895	0.7
303.01364	9.2
315.06976	1.2
321.02356	1.5
617.07751	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.4
55.01851	0.4
55.05496	0.3
57.03423	0.4
60.15956	0.1
61.02898	0.2
66.44898	0.1
67.05479	0.2
69.03426	1.8
69.07017	0.2
69.76811	0.6
71.04956	0.4
73.02894	0.3
79.05462	0.3
81.03412	1.7
81.07014	0.4
84.25506	0.2
85.02429	0.2
85.02901	3.6
91.05492	0.1
93.07007	0.3
95.08590	0.4
97.02882	1.8
97.06545	0.2
98.03628	0.1
99.04443	2.2
101.43311	0.1
103.03938	1.9
105.07000	0.4
107.08559	0.5
109.02856	1.9
109.10121	0.3
113.02330	0.6
119.08560	0.4
121.06429	0.2
121.10143	0.3
123.04389	0.2
126.03088	0.4
127.03044	0.2
127.03919	4.0
131.08551	0.2
132.05730	0.2
133.06497	1.1
133.10118	0.3
134.07271	0.3
135.04420	2.6
139.03752	0.2
141.01778	0.2
145.04970	1.4
145.07478	0.1
149.09599	0.2
151.03839	0.2
153.01819	0.3
154.02568	0.6
159.11630	0.2
161.05872	0.2
167.03400	0.3
169.01338	1.1
182.02097	7.6
183.02483	0.4
185.06006	0.2
187.05989	0.6
187.14745	0.2
198.01614	0.1
200.03145	3.9
201.16272	0.2
228.04161	0.3
240.07777	0.4
243.06419	0.2
257.08191	0.2
268.07370	0.2
269.10864	0.1
271.05908	0.6
271.08475	0.2
285.07312	0.3
286.08359	1.1
296.06946	0.2
297.07516	0.2
299.05634	0.7
299.08676	0.2
310.08392	0.2
311.09320	0.2
313.07050	1.7
314.07813	43.7
315.08157	3.2
315.11584	0.3
327.08508	0.8
329.10159	100.0
330.10510	7.4
371.11270	0.4
473.28812	0.2
491.15414	0.5
507.25589	0.2
517.24225	0.1
573.19952	0.2
617.18549	0.3
635.19720	0.7
635.28235	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.6
55.01867	5.3
56.01461	1.3
62.00532	1.3
65.03946	11.0
67.05494	6.0
77.03908	1.6
79.05491	12.9
81.07045	5.2
83.08617	1.5
89.03907	2.3
90.04247	1.4
91.05479	21.6
93.03400	9.5
93.07030	7.1
94.04178	3.7
95.04955	6.1
95.08619	3.6
97.06535	1.8
97.10149	1.9
103.05474	27.7
104.06284	8.9
105.07045	8.0
107.04951	100.0
107.08585	3.9
108.05280	1.6
109.02885	1.7
109.06519	1.8
109.10146	3.3
111.04459	11.3
115.05451	10.6
117.03416	2.4
117.07018	5.5
119.04967	7.1
119.08562	3.2
121.06502	9.6
121.10133	4.5
122.03640	4.5
123.04430	5.1
123.11732	1.6
125.05989	12.5
129.07025	1.6
131.04935	31.0
132.05765	6.6
133.06497	11.3
133.10130	2.0
135.04410	5.6
135.08049	7.2
137.04939	3.3
137.05975	51.6
137.07024	3.2
141.07022	1.6
143.08600	1.5
145.02855	2.4
145.06494	2.0
145.07565	1.7
145.10030	2.1
147.04378	7.1
147.08069	2.6
147.11703	1.5
148.05176	2.0
149.02336	7.1
149.05966	33.5
151.03914	23.1
151.04999	2.8
151.07529	19.0
153.05461	28.1
155.08568	3.8
159.11732	2.5
160.05199	1.4
161.05977	2.4
163.03903	13.4
163.07542	91.6
164.04250	2.8
164.08331	71.6
165.05478	8.8
165.06964	5.7
165.08827	2.1
167.07184	1.4
167.08633	2.4
171.08073	3.3
173.06001	4.0
175.03873	17.5
175.05113	1.4
175.07538	2.5
176.04317	1.4
177.05466	2.5
177.06827	1.5
181.06493	1.4
182.07214	1.8
183.08029	6.0
185.13292	1.4
187.07527	2.0
191.07040	3.0
194.47650	1.4
195.08066	3.4
197.05980	3.3
199.07495	2.8
201.05495	7.0
203.10632	1.9
205.06485	3.7
207.07976	1.3
209.05887	1.7
210.06688	2.4
211.07536	58.3
212.08099	5.0
213.05466	2.5
213.09142	2.1
221.05867	2.8
223.07550	5.6
225.09033	3.1
227.07014	12.0
228.07564	2.1
233.05901	3.4
235.07481	2.3
239.07002	33.1
240.07556	4.5
245.09644	3.4
247.10915	1.5
248.08206	2.6
251.07011	11.8
252.07730	1.9
253.08626	3.5
257.09610	2.4
260.08102	2.5
261.09116	3.8
262.09995	1.9
263.07162	1.7
264.07767	3.0
265.08618	2.7
273.09109	5.8
274.09695	2.2
275.06940	1.7
277.08603	3.8
278.09299	2.3
279.06485	17.7
279.09567	1.5
280.07224	3.4
283.09610	11.3
285.09018	6.0
286.09592	1.8
287.07132	3.8
288.07776	3.7
289.08472	6.1
290.09262	1.9
291.06638	3.2
291.10095	4.8
293.08133	1.9
298.09995	1.5
299.09122	71.9
300.09381	4.3
301.08246	11.9
302.09286	4.3
303.09888	2.3
304.07254	3.7
305.08102	6.3
306.08722	2.2
307.05994	5.4
307.09418	3.2
308.06668	2.0
311.10413	1.6
313.08664	8.4
313.14490	2.0
314.09232	2.6
315.09961	1.7
316.07205	3.6
317.08014	6.9
317.11588	3.1
319.05957	9.0
319.09647	10.0
320.06903	2.0
320.10498	3.9
321.11142	19.2
329.08093	7.1
330.08749	5.6
331.09503	5.0
331.13364	1.7
333.07590	18.2
333.11200	2.5
334.08273	18.5
335.09015	3.0
335.12766	26.3
341.11624	2.7
343.09445	3.2
344.10312	2.1
345.11209	22.6
347.09180	9.5
348.10239	2.4
355.09619	1.7
359.12692	8.9
363.12268	30.0
364.11649	2.0
365.11578	2.4
367.09421	3.4
369.11102	2.9
374.11423	1.5
375.09995	2.7
382.11902	3.1
387.12411	1.5
393.11163	3.7
395.08957	3.8
397.14572	1.6
407.14890	99.5
408.15396	8.3
410.11441	2.5
421.10266	2.3
423.14124	2.3
435.12445	2.3
438.10660	3.3
453.13562	8.1
454.13873	1.7
461.13187	1.8
463.11719	5.2
469.16446	9.6
471.14337	23.4
472.15015	2.3
473.15649	3.6
475.15250	1.9
481.16241	4.9
483.18076	40.6
484.18195	4.8
493.16510	22.2
494.16763	3.1
497.15961	14.5
498.16483	7.4
511.17520	30.0
512.17743	4.0
607.22864	3.0
617.21838	23.5
618.21893	3.6
635.22626	21.8
635.38177	7.9
636.23126	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	635.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.3
67.05521	0.2
69.03424	0.2
69.07074	0.3
79.05520	0.2
80.61943	0.1
81.03440	0.1
81.07070	0.4
81.94603	0.1
85.02901	0.2
93.07059	0.5
95.04977	0.2
95.08613	0.4
100.15894	0.2
103.05548	0.1
105.07021	0.3
107.04983	0.1
107.08631	0.2
109.02879	0.3
109.10135	0.2
119.08618	0.3
121.10169	0.4
123.04446	0.3
123.08096	0.2
127.03928	0.2
133.06476	0.2
133.10075	0.1
137.06032	0.2
138.02992	0.2
141.78590	0.1
143.71330	0.2
145.10228	0.2
151.07558	0.2
153.01846	0.1
161.13358	0.2
167.07076	0.2
169.04724	0.5
170.62758	0.2
189.12755	0.2
194.54495	0.1
249.10777	0.2
267.12082	0.6
275.12631	0.3
279.11301	0.5
280.11710	0.5
281.12317	0.4
297.12265	0.3
298.12714	0.3
309.13144	0.5
311.13177	0.3
329.10236	0.5
338.12372	0.4
339.13431	0.4
340.13885	0.4
341.13800	0.2
349.16495	0.2
351.14301	0.2
356.56342	0.2
365.16104	0.2
367.17209	1.6
369.15161	2.1
371.15448	0.2
372.16290	0.2
391.16989	0.4
411.16223	1.5
427.15750	0.9
429.17337	5.8
430.17694	0.4
461.18799	0.2
462.19510	0.2
473.33585	0.2
480.20688	0.4
543.82306	0.2
573.30310	5.4
574.30896	0.6
575.28137	2.1
603.27466	0.4
617.29047	0.8
635.30334	100.0
636.30701	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	635.319
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	1.7
69.07053	1.4
71.31654	1.0
79.05482	1.9
81.07056	2.2
86.36655	0.8
91.05459	1.4
93.07040	2.5
95.08596	2.3
105.07049	1.3
107.08584	1.6
109.10116	0.9
109.64526	0.8
119.08585	1.7
121.10157	1.3
128.25977	0.8
145.10152	1.2
147.07899	1.3
159.11667	0.9
161.09575	1.1
190.09718	3.1
191.10352	1.3
211.09592	0.9
227.76935	0.9
232.07216	1.8
243.06609	1.2
255.32906	1.0
261.81317	0.8
271.09351	1.1
286.11755	6.5
287.12643	1.2
329.13715	1.9
353.17368	2.7
355.18756	1.6
381.16681	6.4
383.18301	2.0
399.17770	100.0
400.18076	7.5
400.22537	0.9
435.21387	1.0
453.22479	52.2
454.22714	5.8
484.59326	0.9
499.19409	1.2
537.37860	1.3
617.30457	1.4
635.31757	35.4
635.44183	2.9
636.32483	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	635.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.6
55.01875	2.1
55.05507	5.7
57.03428	2.2
57.07067	2.0
59.38223	1.0
61.02943	1.8
67.05498	6.4
69.03433	7.2
69.07060	5.8
71.04995	1.4
77.94430	0.8
79.05494	9.0
81.03408	6.8
81.07059	13.8
83.04991	2.8
83.08618	3.0
85.02902	12.8
85.06540	3.1
88.02821	0.9
91.05478	8.3
93.07040	16.1
95.04987	3.3
95.08604	12.5
97.02910	6.5
97.06575	2.4
97.10181	2.0
99.04456	1.5
105.07023	14.2
107.04951	1.8
107.08591	14.0
109.02900	3.6
109.06563	1.6
109.10152	11.2
111.08064	1.5
115.05447	1.2
117.07047	2.2
119.04984	1.3
119.08576	15.0
120.08923	1.7
121.06518	3.0
121.10143	20.1
122.06003	1.2
123.04473	2.5
123.08073	1.8
123.11732	4.3
125.05988	1.1
125.09641	1.3
126.43214	0.9
127.03920	3.4
127.11192	1.3
131.08539	6.7
133.06538	1.4
133.10130	16.3
135.04454	1.0
135.08098	1.3
135.11696	15.8
136.07623	2.1
137.06010	5.7
137.07991	1.7
137.09662	1.9
137.13275	2.4
139.03979	1.5
139.11198	1.5
140.07008	1.5
142.07680	1.1
143.08591	2.9
143.41994	0.9
144.09268	1.0
145.05006	1.7
145.06494	1.4
145.10103	9.5
146.06096	1.8
147.06328	1.6
147.08064	1.2
147.11665	9.5
148.07561	1.1
149.02394	4.0
149.09598	10.3
149.13300	3.5
151.03954	3.1
151.07568	1.3
151.11198	2.7
153.01869	3.0
155.08508	2.3
157.10126	4.7
159.11678	10.5
161.09651	2.2
161.13252	6.8
163.03954	2.3
163.11151	10.6
163.12193	1.1
163.14851	3.5
164.07079	2.4
164.08348	1.1
164.11536	0.9
165.07329	1.4
165.09081	1.2
165.12761	1.2
166.08623	1.1
167.07159	1.3
167.10777	1.0
169.08746	1.3
169.10167	2.6
171.11736	4.1
173.04395	1.3
173.05949	1.0
173.09700	1.9
173.13315	3.1
175.11150	2.4
175.14848	3.2
176.07106	3.1
177.05632	1.3
177.07507	1.7
177.12749	2.3
177.16457	2.1
183.06500	2.1
183.11749	3.5
185.13260	4.8
187.11159	10.3
187.14862	3.3
189.12721	5.7
189.16382	13.5
191.14435	1.1
195.11624	1.7
197.13368	2.5
199.14856	2.9
201.12851	2.5
201.16466	3.1
203.14447	2.0
203.18044	4.0
205.12224	9.5
207.17456	11.9
209.13388	1.8
211.14943	1.7
213.12991	1.1
213.16397	2.5
215.14398	2.6
215.17921	2.1
217.15945	1.4
225.16364	1.3
229.16147	1.8
233.11699	2.3
237.16512	2.0
238.10832	2.2
239.11479	2.0
239.18091	1.5
247.13417	1.1
250.10757	1.0
252.12241	2.4
255.17537	2.1
263.11716	1.3
264.12326	1.6
265.13086	2.0
266.13757	2.8
267.14249	1.6
269.19012	1.0
277.14395	1.7
279.11267	10.4
280.11545	12.3
281.11954	8.1
291.05124	4.3
293.13971	1.5
294.13202	1.4
296.11411	1.6
297.12344	5.1
298.12848	5.8
298.35501	1.0
299.09515	1.3
299.13123	4.6
301.18201	1.4
309.12354	3.4
310.12769	4.9
311.13333	3.9
312.13937	1.1
337.11798	3.2
338.12192	8.2
339.12991	9.6
340.13666	8.7
341.13931	7.3
369.14972	2.3
370.15036	2.9
371.15332	4.9
372.16226	2.4
373.16739	2.7
391.30164	3.1
409.31076	8.1
419.29886	1.1
426.60724	0.9
427.32047	18.6
428.32440	1.4
429.17441	1.8
437.30310	6.8
455.31415	12.7
456.31808	1.3
461.19043	2.9
461.25378	1.0
462.19379	7.1
463.19949	1.6
473.32611	100.0
474.32928	13.4
479.20105	3.0
480.20407	8.7
510.22226	1.1
511.22702	1.5
512.22821	5.8
523.05676	1.0
523.13879	1.1
573.30182	5.5
575.28833	1.4
603.27155	16.1
618.84387	1.1
635.30341	76.8
636.30762	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	635.3942
Annotation	Guavacoumaric acid
Peak:m/z	Relative Intensity
53.51860	1.1
55.05511	3.0
57.07071	1.5
57.97020	1.1
65.03944	2.5
67.05513	6.4
68.47591	0.9
69.03423	1.5
69.07091	5.3
69.59741	6.3
79.05513	7.2
81.07063	16.7
83.04987	2.8
83.08622	3.3
88.46690	1.0
89.03910	1.4
91.05477	23.7
93.07047	15.7
95.08604	18.7
97.10158	1.3
98.23293	1.6
99.08100	1.1
105.07030	18.6
105.72289	1.0
107.08594	20.2
109.06519	1.6
109.10149	16.4
111.08061	2.2
117.03357	3.3
117.07001	3.6
118.03709	1.8
119.04948	31.1
119.08582	25.6
121.10158	15.3
123.08096	1.3
123.11737	5.5
125.09633	3.8
129.06932	1.1
131.08566	9.8
133.10141	16.2
135.11748	5.8
137.13240	2.2
143.08574	4.0
144.09338	1.3
145.02821	5.8
145.10112	17.7
146.03197	3.1
147.04411	100.0
147.11708	10.1
148.04773	3.7
149.09642	1.1
149.13225	6.1
151.11214	2.4
152.25505	1.0
153.09016	1.3
157.10120	4.2
158.10947	1.9
159.11702	15.9
161.13300	8.4
163.14738	5.5
165.05458	8.0
171.11710	3.5
173.13277	8.7
175.14838	9.3
177.05466	13.1
177.16377	9.3
178.05821	7.2
178.16833	1.4
179.05984	2.7
185.13327	1.7
187.14828	21.1
189.16393	21.4
191.14333	5.8
191.17996	6.7
199.14786	5.9
200.15370	1.3
201.16364	25.3
202.16661	1.3
203.17960	9.8
205.15878	3.3
213.16383	10.3
214.16771	1.7
215.17940	12.6
217.15868	3.4
217.19513	1.8
219.17455	15.3
225.16428	1.1
227.17990	1.9
229.19569	1.8
231.17427	2.2
233.19028	3.1
235.16931	7.8
241.19446	3.2
243.21091	1.5
247.16896	5.3
249.18469	1.8
255.21303	2.5
259.20456	1.1
261.18512	3.5
267.21124	3.2
291.06387	1.1
327.23486	1.2
389.32263	7.1
395.29263	2.4
407.33023	21.4
408.33450	2.9
409.34821	2.3
423.32346	1.7
435.32837	7.2
453.33557	17.6
454.33984	2.4
635.38837	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	635.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.3
55.05509	4.4
65.03938	2.4
67.05496	7.0
69.03423	1.0
69.07058	3.7
69.21805	2.2
69.22228	4.7
77.88560	0.8
79.05502	4.8
79.08947	0.9
81.07051	13.5
81.07492	1.6
83.04995	4.2
83.08621	2.8
91.05478	21.8
92.13403	0.7
93.07038	13.9
94.07430	0.9
95.04979	3.1
95.08604	19.0
95.09196	1.2
97.10166	1.1
99.08078	0.8
105.07022	15.4
107.08592	19.4
108.08968	1.3
109.06512	1.7
109.10158	14.1
110.62093	0.8
111.08089	2.7
117.07027	1.7
119.04939	26.3
119.08579	21.3
121.10138	16.5
123.08105	0.9
123.11705	5.5
125.09656	4.9
129.07048	1.6
131.08546	6.7
133.10114	16.5
135.11705	8.2
137.09605	2.0
143.08546	4.1
145.10121	15.0
147.04401	100.0
147.11676	8.9
148.04744	4.5
149.13300	5.2
151.11172	1.9
157.10172	2.2
158.10881	1.0
159.11671	12.6
161.13255	10.2
163.14783	7.2
165.05487	8.7
171.11711	3.2
173.13286	9.1
175.14816	13.3
176.15100	1.1
177.16383	15.6
185.13344	2.2
187.14809	16.9
188.15186	1.0
189.16383	13.5
191.14308	4.2
191.17902	4.8
193.15840	1.5
197.13179	1.0
199.14795	6.3
201.16374	18.1
201.18089	1.5
202.16731	1.8
203.17934	10.4
205.15872	1.9
211.14873	1.9
213.16373	19.1
214.16838	1.0
215.17952	9.5
217.15903	3.8
217.19464	6.5
219.17480	7.0
223.14771	0.9
225.16379	1.0
227.18042	2.5
229.19476	1.1
231.21078	1.3
233.15404	1.2
233.19012	2.4
235.17105	1.3
239.18018	2.0
241.19556	3.6
245.22578	1.8
247.16882	2.1
255.21106	1.4
257.22684	1.8
259.16879	4.6
261.18512	2.0
267.21075	5.0
281.22601	2.1
299.41965	0.9
341.24905	0.8
349.28894	1.5
389.31888	4.7
391.33545	1.7
395.29300	2.7
407.33035	16.5
408.33310	2.2
409.34598	9.4
425.34103	2.0
435.32693	2.4
443.35336	2.0
453.33652	14.6
454.33755	1.8
524.28168	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3939
Annotation	Guavacoumaric acid
Peak:m/z	Relative Intensity
50.52636	0.6
53.03941	1.3
55.05513	5.2
57.07066	2.6
58.87478	0.7
58.88780	0.8
63.64412	0.7
65.03952	0.8
67.05505	8.0
67.81297	0.6
69.07064	12.2
69.28711	3.4
69.29119	1.7
71.08649	0.9
79.05495	9.0
81.07056	21.2
83.04985	1.1
83.08626	7.0
89.03910	7.5
91.05466	6.8
93.07047	17.9
95.04945	1.6
95.08604	35.5
96.08915	0.9
97.10182	3.0
105.07027	16.5
107.04980	3.5
107.08591	27.1
109.10154	15.3
111.08094	0.9
111.20289	0.6
117.03378	9.2
117.07022	1.7
119.04910	0.7
119.08586	16.9
120.09058	0.6
121.02899	1.3
121.10143	23.0
123.11708	8.1
129.06995	1.6
129.36737	0.7
131.08554	6.8
133.09171	1.3
133.10130	14.8
135.04413	21.0
135.11696	17.3
136.12042	0.8
137.13249	10.5
143.08569	2.8
145.02852	18.0
145.10117	8.1
147.11678	12.6
148.12007	0.8
149.13264	18.1
151.14812	2.2
155.08606	0.8
157.10147	3.2
159.11691	6.3
161.13257	6.6
163.03903	100.0
163.14838	4.5
164.04289	2.9
165.09175	0.9
165.12770	1.1
169.10190	1.5
171.11662	5.0
173.13258	4.2
175.14806	4.3
177.16394	19.6
178.16710	0.9
181.04951	23.1
182.05241	1.2
183.11662	1.3
185.13245	3.7
187.14833	7.3
189.16402	13.4
190.90715	0.6
191.17897	5.7
193.16010	0.7
193.52989	0.7
197.13187	1.3
199.14748	3.9
201.16391	11.0
202.16867	1.0
203.17953	28.0
203.19856	1.4
204.18353	2.1
205.15860	2.3
205.19479	0.8
207.17517	1.8
211.14819	1.4
213.16374	7.2
215.17931	6.6
217.19547	3.3
218.97725	0.7
219.17447	1.0
220.65239	0.7
221.15382	1.2
225.16327	1.3
227.17926	1.6
229.19662	0.9
233.15430	1.4
235.16827	0.9
239.17926	2.3
241.15794	1.0
241.19453	6.8
243.13583	0.8
243.21019	0.8
245.15401	1.3
247.16840	1.2
249.18437	1.5
253.19574	1.9
255.21169	1.9
257.22470	0.7
259.16937	6.3
261.18454	1.1
267.21143	1.5
285.18384	1.1
287.20044	3.1
299.20026	0.8
301.21912	0.8
313.21573	2.2
327.23221	0.9
341.24747	1.3
355.26227	1.3
365.32202	0.9
381.27536	0.9
391.33682	6.0
409.34680	6.2
411.32471	2.7
437.34149	20.3
438.34628	1.6
455.35178	2.0
515.69275	0.7
635.41339	5.2
636.39740	0.7
656.20282	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3936
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
55.05505	5.1
57.07069	1.6
67.05502	7.8
69.07057	8.0
69.40018	5.4
69.40431	5.2
79.05499	5.9
81.07065	14.2
83.08615	8.1
83.36395	1.7
89.03899	8.6
91.05473	6.1
93.07043	9.0
95.08605	24.3
98.23260	2.2
105.07024	16.6
107.04945	4.0
107.08603	20.4
109.10147	12.0
117.03374	11.8
117.07066	1.9
119.08588	25.9
120.08920	2.6
121.10155	17.5
123.11700	7.0
129.06964	1.7
130.61763	1.3
131.08571	4.8
133.10106	15.2
135.04422	20.8
135.11694	11.6
136.04744	1.7
137.13213	1.6
143.08563	2.9
145.02827	12.6
145.10118	9.6
146.03110	1.8
147.11681	10.6
149.13268	7.6
153.09108	2.8
159.11699	11.1
161.13232	8.3
163.03900	100.0
163.14804	7.2
164.04240	5.2
171.11690	2.7
173.13248	6.3
175.14851	13.8
177.16422	12.6
181.04942	22.1
187.14833	5.9
189.16379	24.6
190.16701	2.8
191.17935	4.2
199.14732	1.9
201.16356	21.7
202.16801	2.3
203.17950	32.0
205.15837	2.7
207.17432	5.2
213.16388	6.2
215.17966	16.0
216.18036	1.7
217.19446	2.7
219.17435	1.6
227.17763	1.6
229.19547	2.3
233.15404	1.8
235.17018	3.1
241.19591	3.6
243.21149	3.7
247.16914	3.2
261.18478	7.9
269.22672	2.2
363.22562	1.5
391.33466	6.6
409.34637	14.5
411.32584	7.0
437.34189	26.2
438.34583	2.2
470.93668	1.7
516.36053	1.6
635.38770	14.8
636.38232	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	635.3936
Annotation	Myriceric acid B
Peak:m/z	Relative Intensity
53.03942	1.0
55.05511	5.5
55.87615	1.0
56.04284	0.9
57.07064	2.7
65.03925	1.2
67.05510	7.5
69.07057	7.9
69.16649	9.5
79.05482	5.7
81.07055	16.3
83.04955	1.2
83.08620	7.0
89.03921	8.6
91.05475	6.9
93.07045	15.0
95.08606	29.1
96.08931	1.1
97.10164	1.8
105.07024	17.5
107.04958	2.3
107.08588	25.7
107.09306	1.9
109.10159	13.3
111.08070	1.3
117.03376	8.9
119.08578	27.4
120.08881	1.1
121.10147	22.9
123.11691	8.7
131.08565	6.1
133.10130	21.8
134.10495	1.4
135.04419	21.7
135.11685	13.2
137.13268	2.9
143.08562	4.4
145.02855	14.7
145.10123	12.2
147.11668	14.5
149.13271	9.2
153.09079	1.6
157.10120	3.5
159.11693	10.4
161.13217	10.0
162.13632	1.3
163.03896	100.0
163.14813	5.1
164.04236	4.9
169.10155	1.1
171.11673	1.3
173.13263	5.7
175.14822	11.5
177.09143	2.0
177.16386	11.8
181.04919	17.3
185.13182	1.5
187.14783	5.1
189.16357	21.6
189.17955	1.5
190.16670	1.3
191.17949	4.2
197.13290	1.0
199.14789	1.7
201.16339	14.4
202.16766	1.2
203.17952	28.1
204.18288	2.1
205.15884	4.7
205.19429	1.7
207.17453	3.8
213.16411	4.6
215.17944	17.5
216.18251	1.1
217.19472	2.0
225.16371	1.3
229.16040	1.0
229.19511	1.8
235.16858	2.1
239.17754	1.0
241.19551	1.4
243.21042	1.9
244.16446	1.2
247.16895	7.2
249.18510	2.4
253.19443	1.9
255.20998	2.1
259.16846	1.0
261.18503	9.7
267.21030	2.0
269.22662	2.1
289.21506	1.6
301.21588	1.4
313.21701	2.1
313.25070	1.4
329.24768	1.2
386.86288	1.2
391.33469	6.2
394.28738	1.7
409.34509	8.6
411.32349	5.4
437.34143	23.7
438.34268	2.9
485.90726	1.1
635.38562	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	635.3938
Annotation	Guavacoumaric acid
Peak:m/z	Relative Intensity
53.03933	1.1
55.05500	3.6
56.35729	0.8
57.07053	1.1
60.51387	1.1
64.30559	1.0
65.03926	2.4
67.05502	4.9
69.07057	4.5
71.33250	1.5
75.49779	0.9
79.05478	5.2
81.07053	11.5
82.98900	1.2
83.04976	2.3
83.08610	3.3
89.03888	1.7
91.05466	19.3
93.07037	11.6
95.04950	1.9
95.08601	16.4
97.06522	1.4
97.10180	1.3
105.07032	10.4
107.04885	1.1
107.08585	15.8
109.06483	1.9
109.10152	9.7
111.08080	2.4
117.07034	2.3
119.04933	28.6
119.08565	19.3
120.08900	1.1
121.06539	1.0
121.10143	12.3
123.08041	1.5
123.11690	4.2
125.09605	4.4
131.08578	6.7
133.10138	13.2
135.04362	1.8
135.11655	6.4
138.03337	1.0
139.07620	0.9
143.08549	2.2
144.09274	1.4
145.10123	14.0
147.04398	100.0
147.11673	6.9
148.04718	3.7
149.09616	1.2
149.13248	3.7
151.07567	1.4
151.11169	1.6
157.10092	2.9
159.11697	12.1
159.47984	1.0
161.13199	5.1
163.03897	4.1
163.14793	4.2
165.05469	3.4
171.11710	1.7
173.13292	8.0
175.14825	7.7
177.16365	6.4
185.13226	1.6
187.14809	13.8
189.16376	13.8
190.16655	1.4
191.14273	5.3
191.17955	4.4
197.13234	1.3
199.14815	4.6
201.16367	18.4
203.14323	1.1
203.17946	5.9
205.15849	3.1
213.16376	9.0
214.16826	1.0
215.17946	7.8
217.15860	2.3
217.19518	2.8
219.17416	11.8
233.19008	2.1
235.16896	6.2
243.21107	1.9
246.14554	1.0
246.82806	1.0
247.16937	3.9
255.20967	1.6
261.18442	2.7
267.21057	2.4
332.23367	1.1
389.32056	3.0
407.33087	16.9
408.33353	2.4
409.34515	2.1
413.74414	0.9
425.33676	1.7
435.32614	4.6
453.33676	10.9
516.22913	1.2
617.33008	1.2
635.34991	4.3
636.37067	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3943
Annotation	Guavacoumaric acid
Peak:m/z	Relative Intensity
55.05510	2.9
57.07077	1.7
65.03940	3.2
67.05500	6.3
69.07057	5.5
69.36285	3.8
69.36708	2.6
71.04969	1.2
79.05497	5.7
81.07063	17.6
83.04984	3.5
83.08627	3.6
83.15799	0.9
91.05473	20.3
93.07042	12.9
95.04958	2.3
95.08609	20.7
96.08928	1.6
97.06526	1.2
97.10172	2.5
98.22694	1.5
105.07028	15.5
107.04953	1.1
107.08588	19.8
107.09264	1.6
109.06533	2.2
109.10152	11.1
111.08112	1.7
115.05434	1.2
117.03405	0.9
117.07014	2.7
119.04945	31.2
119.08591	21.8
120.05267	1.3
121.06535	1.2
121.10152	17.5
123.04448	1.2
123.08083	1.8
123.11739	5.1
125.09657	2.6
129.06990	2.3
131.08582	8.5
133.10130	17.1
133.66594	0.8
135.04468	1.0
135.11700	10.2
137.06001	1.5
137.09651	1.2
137.13232	1.7
139.03818	0.9
143.08554	3.6
145.02881	1.4
145.10118	14.6
147.04405	100.0
147.11630	6.0
148.04752	3.2
149.09647	1.0
149.13297	5.6
151.11163	2.6
153.09117	1.2
157.10136	3.1
158.10774	1.0
159.11691	12.7
161.13225	6.2
163.03931	2.1
163.11188	1.2
163.14822	4.1
164.04535	1.0
165.05498	6.2
169.10132	1.2
171.11710	2.9
173.13269	7.6
175.14810	7.6
177.05441	2.1
177.16412	8.2
183.11697	1.5
185.13266	2.5
187.14809	11.8
188.15164	1.2
189.16396	17.5
191.14299	3.8
191.17938	4.7
193.15977	1.7
197.13197	1.2
199.14835	4.1
201.16391	21.8
202.16682	1.5
203.17905	6.8
205.15895	3.0
207.17477	1.6
213.16371	10.3
215.18007	8.4
217.15843	4.8
217.19533	2.2
219.17455	11.7
225.16389	1.1
227.17975	1.6
229.19576	1.1
231.17432	2.2
233.18951	1.8
235.16914	7.7
241.19435	2.1
243.21144	2.0
247.16890	4.2
255.21187	2.0
261.18491	2.5
267.21078	2.7
269.22717	1.1
275.20071	1.1
389.31741	2.9
407.33029	18.1
408.33441	2.5
409.34625	2.9
435.32593	4.6
436.32623	1.2
453.33694	14.1
454.33768	2.1
635.30865	2.6
635.39233	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	635.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.1
55.05500	3.6
56.35729	0.8
57.07053	1.1
60.51387	1.1
64.30559	1.0
65.03926	2.4
67.05502	4.9
69.07057	4.5
71.33250	1.5
75.49779	0.9
79.05478	5.2
81.07053	11.5
82.98900	1.2
83.04976	2.3
83.08610	3.3
89.03888	1.7
91.05466	19.3
93.07037	11.6
95.04950	1.9
95.08601	16.4
97.06522	1.4
97.10180	1.3
105.07032	10.4
107.04885	1.1
107.08585	15.8
109.06483	1.9
109.10152	9.7
111.08080	2.4
117.07034	2.3
119.04933	28.6
119.08565	19.3
120.08900	1.1
121.06539	1.0
121.10143	12.3
123.08041	1.5
123.11690	4.2
125.09605	4.4
131.08578	6.7
133.10138	13.2
135.04362	1.8
135.11655	6.4
138.03337	1.0
139.07620	0.9
143.08549	2.2
144.09274	1.4
145.10123	14.0
147.04398	100.0
147.11673	6.9
148.04718	3.7
149.09616	1.2
149.13248	3.7
151.07567	1.4
151.11169	1.6
157.10092	2.9
159.11697	12.1
159.47984	1.0
161.13199	5.1
163.03897	4.1
163.14793	4.2
165.05469	3.4
171.11710	1.7
173.13292	8.0
175.14825	7.7
177.16365	6.4
185.13226	1.6
187.14809	13.8
189.16376	13.8
190.16655	1.4
191.14273	5.3
191.17955	4.4
197.13234	1.3
199.14815	4.6
201.16367	18.4
203.14323	1.1
203.17946	5.9
205.15849	3.1
213.16376	9.0
214.16826	1.0
215.17946	7.8
217.15860	2.3
217.19518	2.8
219.17416	11.8
233.19008	2.1
235.16896	6.2
243.21107	1.9
246.14554	1.0
246.82806	1.0
247.16937	3.9
255.20967	1.6
261.18442	2.7
267.21057	2.4
332.23367	1.1
389.32056	3.0
407.33087	16.9
408.33353	2.4
409.34515	2.1
413.74414	0.9
425.33676	1.7
435.32614	4.6
453.33676	10.9
516.22913	1.2
617.33008	1.2
635.34991	4.3
636.37067	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.3
55.01878	4.3
55.05510	15.2
57.03167	1.6
57.03430	12.5
57.03693	1.0
57.07070	1.4
59.04995	3.3
60.29634	0.8
61.02923	5.4
65.03938	2.5
67.05503	75.0
68.05836	1.3
69.03424	6.8
69.07062	5.6
71.01377	0.9
71.04993	5.7
71.32961	1.4
73.02909	2.0
79.05489	16.0
80.33006	0.8
80.89626	0.7
81.03416	42.6
81.07053	27.7
82.03741	0.8
82.07378	1.1
83.04975	9.7
83.08617	18.2
85.02904	21.5
85.06548	3.3
87.04460	1.3
87.82663	0.9
91.03989	1.2
91.05475	22.0
93.07043	14.4
94.07336	0.9
95.04963	17.6
95.05527	1.4
95.08605	11.6
96.08954	1.2
97.02892	5.8
97.06538	3.2
97.10168	3.4
99.04459	1.0
99.08096	1.6
105.07026	15.6
107.04943	4.8
107.08589	10.1
109.02888	2.0
109.06500	2.7
109.10152	65.3
110.10489	2.6
111.04438	2.8
111.08079	10.4
113.06015	1.7
115.03868	0.8
115.05434	1.5
117.07017	2.1
119.04982	1.3
119.08577	18.6
120.08942	1.4
121.06525	2.1
121.10149	7.6
123.04427	2.5
123.08058	1.9
123.11681	1.1
125.09613	2.6
127.03940	2.6
129.06990	5.1
131.08575	7.8
133.06505	1.9
133.10127	9.6
134.10474	0.8
135.04375	1.0
135.08047	0.8
135.11726	3.0
135.91382	0.9
137.05933	3.9
137.09573	4.5
137.13272	1.0
141.07027	1.0
142.07823	1.2
143.08571	1.5
145.04915	1.2
145.10135	2.9
147.04419	1.1
147.08018	2.8
147.11676	11.7
148.12085	1.2
149.05969	1.1
149.09595	4.0
151.03915	1.5
151.07542	2.1
153.01842	2.2
155.10683	4.2
157.10126	9.7
159.11630	1.1
161.05946	1.4
163.06010	0.9
163.07471	1.3
163.11136	1.7
165.09152	1.8
165.12784	2.9
167.07198	1.1
173.11739	18.9
173.13226	0.9
175.07629	1.1
175.11183	8.9
175.14848	0.9
183.06700	0.9
193.08632	1.4
193.12244	31.9
194.12611	0.8
199.53578	0.8
211.13295	39.7
212.13628	1.4
221.08009	4.7
222.08492	2.0
229.14345	61.9
230.14702	2.7
267.15912	14.6
285.16968	34.2
286.17401	2.2
314.07745	1.6
315.08157	1.3
323.12738	2.2
325.14252	1.6
329.10236	2.3
330.10623	3.9
403.24655	0.9
420.57422	0.9
421.25897	14.1
422.26163	1.7
439.26895	100.0
440.27261	9.0
465.65216	0.8
636.31732	2.9
637.31622	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	637.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.4
55.01860	0.2
55.05500	0.4
57.03414	0.5
61.02906	0.6
66.87650	0.1
67.05482	0.5
69.03426	1.4
69.07047	0.3
69.10056	0.4
69.10475	1.1
71.04980	0.3
71.49247	0.2
73.02885	0.2
79.05495	0.3
81.03420	1.0
81.07040	0.6
83.04965	0.3
83.08632	0.2
85.02401	0.3
85.02901	4.6
91.03941	0.2
91.05479	0.8
93.07037	0.6
95.04952	0.4
95.08595	0.6
97.02889	1.5
99.04446	0.2
100.11225	0.3
103.05472	0.3
105.07001	0.5
107.08581	0.5
109.02856	0.5
109.10143	0.4
111.04426	0.1
111.08044	0.2
117.07071	0.2
119.05025	0.2
119.08561	0.6
121.10110	0.4
123.04404	0.2
123.11725	0.2
125.09628	0.3
127.03915	0.8
131.08566	0.3
133.06487	0.5
133.10078	0.2
134.07268	0.3
135.04414	0.4
135.11723	0.2
136.88976	0.1
137.05952	0.4
145.04961	0.9
145.10083	0.3
146.63261	0.2
147.08006	0.1
147.11644	0.2
149.09683	0.1
151.03929	0.3
151.07547	0.3
153.01804	0.3
157.10080	0.1
159.04399	0.1
159.11656	0.4
163.11240	0.2
177.05577	0.2
181.04924	0.6
189.09155	0.2
207.06567	0.2
210.14969	0.2
211.07489	0.2
219.09718	0.2
225.09140	0.2
227.06967	0.3
227.12755	0.2
241.08557	0.3
242.09232	0.3
251.07077	0.2
255.06528	0.3
255.85445	0.2
269.08099	1.9
270.08847	9.5
271.09210	0.6
297.07587	1.0
298.08328	15.3
299.08609	1.1
301.22299	0.2
313.10666	100.0
314.10980	6.5
330.07364	0.2
394.64163	0.1
457.13086	0.2
608.97070	0.2
637.19006	0.5
637.31580	1.6
637.97888	0.2
648.07056	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
69.22395	0.6
69.22798	2.3
92.85223	0.3
95.08678	0.4
108.26518	0.3
137.05975	0.6
154.19513	0.3
173.05930	0.3
175.03777	0.7
189.05305	0.4
214.11127	0.3
215.07100	0.3
219.06062	0.5
395.11200	0.7
410.13318	0.9
425.12088	2.3
440.14325	7.8
441.14987	1.2
453.07022	0.3
481.16898	0.4
577.18121	0.5
589.20862	0.7
622.20563	0.4
637.22437	100.0
638.22809	12.7
638.33344	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95528	0.9
55.05508	1.8
58.91451	1.0
64.34081	1.1
65.25874	0.9
67.05511	3.3
69.07072	1.7
69.16340	2.8
69.16741	6.5
76.16662	1.0
79.05501	2.3
81.07054	3.8
83.00195	1.0
89.03928	1.1
91.05497	3.3
93.07046	2.2
95.08621	3.4
105.07024	2.5
105.33139	0.9
107.08605	4.0
109.10152	2.4
111.75975	1.0
117.06994	1.3
119.08571	2.9
121.10141	1.9
124.87034	1.1
125.09560	1.1
128.14211	1.0
131.08604	1.3
133.10135	2.9
134.09622	1.2
135.04425	1.8
135.11703	2.5
137.05969	2.3
137.09572	1.2
145.02843	1.7
147.04459	3.1
147.11713	1.2
149.09602	1.7
161.13228	1.5
163.03914	9.0
173.13275	1.7
175.14816	1.2
177.16458	1.7
187.14911	1.2
189.16449	1.3
205.04805	3.5
216.07655	2.4
256.30444	1.2
263.54797	1.0
276.51193	1.2
417.94217	1.0
439.35825	2.0
619.36932	1.2
637.24121	100.0
637.35266	7.3
637.41797	5.2
638.24304	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	637.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06649	1.1
67.05497	3.5
69.07065	1.9
69.35413	0.9
79.05502	3.5
81.07065	4.8
91.05466	1.8
93.07068	3.1
95.04995	1.2
95.08607	3.8
105.07052	2.1
107.04969	1.7
107.08605	4.5
109.10166	2.9
119.08604	3.2
119.43037	1.3
121.10157	2.5
123.08038	1.3
133.10149	2.7
135.04414	2.6
135.11734	2.8
137.05994	1.2
145.02831	1.8
145.10199	1.1
147.04391	2.4
147.11734	1.9
149.13248	1.3
151.07492	1.4
159.11711	2.4
163.03899	8.6
163.11116	1.4
175.14879	1.7
201.16530	1.1
203.17949	1.2
205.04706	6.0
214.13013	1.3
216.07506	2.7
233.07802	2.5
405.31857	1.4
421.35086	1.2
440.83032	1.2
565.54248	1.2
619.38379	1.3
637.24243	100.0
637.35968	13.4
638.24469	15.4
638.35754	1.8
644.22467	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56378	0.2
53.24236	0.2
67.05505	0.2
72.97849	0.2
81.07056	0.3
95.08582	0.2
96.28264	0.2
105.07017	0.2
107.08636	0.2
109.10163	0.2
110.31198	0.2
115.05492	0.2
137.06035	0.2
140.47240	0.2
147.04416	0.3
161.09724	0.2
167.07066	0.2
176.04465	0.6
181.08495	0.2
189.05206	1.4
191.03035	0.3
201.05133	0.2
203.03094	0.2
203.06876	0.4
203.45555	0.2
204.03938	2.0
205.03087	0.2
205.04721	1.2
206.05246	0.2
213.08870	1.6
216.07620	1.3
217.05006	0.2
217.08420	0.5
222.29558	0.2
227.10542	0.2
229.08339	2.2
229.21262	0.3
232.07162	0.6
232.29295	0.2
233.07800	0.3
244.10710	0.7
245.11511	0.8
273.11041	0.6
302.27161	0.2
339.11987	0.2
339.23715	0.2
341.09924	0.2
387.14484	0.2
397.15900	0.2
411.14053	2.3
423.17545	0.2
425.15839	0.4
426.16464	6.0
427.17288	1.6
428.18030	0.2
467.19272	0.4
557.17572	0.2
607.25305	0.3
637.26129	100.0
638.26398	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	637.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
69.06999	0.6
70.22551	0.6
70.22847	1.2
81.07014	0.7
86.09666	0.7
91.05455	0.7
99.32876	0.6
102.85296	0.5
102.89469	0.5
105.07039	0.5
128.97493	0.5
137.05991	0.6
163.03824	0.8
175.03691	1.9
189.05219	61.2
190.05650	1.6
202.06013	2.2
203.06670	1.1
216.07587	1.7
217.08351	11.9
217.86430	0.7
218.08647	0.8
219.06210	1.1
233.07834	39.8
234.08574	7.1
235.09236	0.8
247.09407	17.0
395.14838	1.1
397.16077	1.1
411.13574	0.7
413.15744	2.2
425.15845	1.5
426.16510	1.9
427.17416	1.0
428.18039	100.0
429.18600	17.7
454.79495	0.6
589.80957	0.7
607.25214	6.0
637.26068	94.1
638.26367	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	637.334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.9
57.07069	0.5
57.17960	0.4
62.11566	0.4
67.05504	1.8
69.07062	0.5
69.34504	0.9
69.34906	2.5
72.22653	0.4
79.05498	1.5
81.07053	2.6
83.08599	0.5
85.65395	0.5
91.05476	2.3
92.88153	0.6
93.07059	1.4
95.04977	0.9
95.08595	1.4
97.06530	0.6
103.05442	0.7
105.07037	1.3
107.08585	1.3
117.06978	0.5
119.08586	0.7
121.10142	0.7
123.08137	0.5
129.07065	0.5
131.08565	0.9
135.11696	0.7
137.05974	3.2
139.11143	0.7
147.08197	0.5
149.13310	0.4
151.03687	0.9
151.07550	2.8
163.07509	0.9
175.07585	1.4
185.42255	0.5
189.09137	0.6
193.04785	1.8
203.10579	1.0
229.15796	0.5
247.09528	0.6
255.13512	2.2
270.71381	0.5
281.11893	0.6
295.13058	9.5
299.12695	3.5
301.14270	0.8
313.14279	0.8
318.94925	0.5
333.14685	0.6
337.18066	0.8
338.18448	5.9
339.19263	5.1
357.20331	18.5
358.20633	1.6
393.24054	0.8
401.19382	18.6
402.19772	1.6
429.18970	1.9
455.24207	1.0
491.27835	0.7
575.33356	15.0
576.33673	1.5
593.34448	2.7
607.95209	0.5
619.32220	1.1
620.33093	0.6
637.33368	100.0
637.42578	4.3
638.23798	0.9
638.33728	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	637.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46371	0.7
55.05507	2.0
57.07084	1.4
67.05499	2.1
69.07076	1.6
70.98226	0.9
77.02380	0.8
79.05506	1.9
81.07066	3.2
81.45259	0.8
91.05472	2.1
93.07042	3.1
95.08617	2.4
97.06480	0.9
97.81377	0.8
100.78419	0.7
105.07047	2.5
107.08611	2.1
122.07380	1.0
133.10104	4.2
135.11705	1.4
139.11121	0.9
140.93080	0.8
145.10095	1.1
147.11705	0.9
159.11569	0.9
174.68596	0.9
177.12776	0.9
177.57573	0.8
191.10547	1.2
192.13823	1.1
205.08423	1.1
218.05571	1.6
219.06360	1.7
223.09692	1.0
233.07683	1.2
237.14940	2.0
247.05824	11.2
248.06592	2.7
249.07521	1.3
317.13712	1.2
357.20306	4.3
365.17010	1.6
383.18301	51.4
384.18680	3.4
401.19421	14.3
402.20026	1.3
424.21024	2.0
455.24405	4.7
549.28503	1.0
575.33466	3.5
593.34467	4.9
601.31104	3.9
619.32404	100.0
620.32715	12.7
637.33362	36.4
637.42426	2.2
638.33624	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	637.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54855	0.8
55.05523	1.2
56.99284	0.7
57.07066	2.9
67.05505	2.6
76.19124	0.7
79.05485	1.4
79.49063	0.8
81.07042	3.6
83.04957	1.8
86.82440	0.8
91.05490	2.0
92.43416	0.9
93.07054	1.4
95.08620	2.4
98.22619	2.6
105.07034	2.0
107.04977	0.8
107.08630	1.9
109.10169	1.8
117.07045	1.4
119.08584	1.9
121.06506	0.9
121.10094	1.1
133.10130	1.3
137.09665	1.5
145.10175	1.2
147.11696	1.8
164.08087	1.5
186.02303	0.8
190.96535	0.9
191.10567	1.4
232.07030	3.3
233.07642	1.4
239.04619	0.9
257.53964	0.8
277.21640	1.1
286.11688	4.7
287.12524	1.8
288.80594	0.8
331.14841	1.4
333.20511	1.0
337.02454	2.2
355.18735	2.0
357.20029	1.1
383.18347	6.6
401.19330	100.0
402.19742	6.7
437.23038	2.8
455.24020	45.2
456.24567	5.4
525.17688	1.4
581.24176	5.2
619.32373	2.9
637.33246	24.1
637.43274	2.7
638.33026	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	637.3731
Annotation	3-O-vanillyceanothic acid
Peak:m/z	Relative Intensity
55.05501	4.0
57.07082	2.4
57.37871	1.2
59.85266	1.1
61.28691	1.2
64.58709	1.2
67.05512	6.3
69.07071	6.7
69.13550	4.9
69.13962	5.6
74.90475	1.1
78.14325	1.2
78.19090	1.2
79.05498	6.4
80.68896	1.1
80.86028	1.1
81.07063	15.5
83.08607	5.5
85.06549	3.0
89.03917	6.5
91.05470	8.8
93.07037	16.3
95.04974	1.8
95.08599	27.7
105.07032	12.3
107.04959	4.1
107.08591	23.5
109.10165	10.7
117.03361	8.8
119.04961	2.2
119.08588	15.7
119.70679	1.1
121.10145	16.7
123.11724	9.1
131.08549	5.9
133.10115	11.8
135.04408	17.9
135.11688	18.5
137.13263	10.0
143.08571	3.1
145.02850	14.8
145.10156	6.0
147.04414	12.3
147.11623	8.2
149.13271	20.2
151.07611	1.8
151.14847	2.0
157.10136	3.5
159.11693	6.3
161.13283	7.7
162.13716	1.4
163.03900	100.0
164.04230	3.6
165.05467	3.5
169.10124	2.2
171.11650	6.8
173.13240	6.8
175.07600	1.5
175.14783	4.3
177.12814	1.6
177.16373	17.5
181.04933	16.9
181.10193	1.6
183.11760	2.5
185.13242	6.5
187.14838	3.7
189.16374	7.1
191.17958	4.7
199.14833	3.9
201.16415	3.5
202.92192	1.2
203.17941	10.4
205.15823	2.4
207.17450	1.4
215.14304	4.9
215.17966	1.6
217.16051	1.4
217.19496	1.8
223.13284	3.2
243.17462	2.8
248.11246	1.4
251.17891	1.8
261.15009	2.2
271.17023	1.6
289.18048	2.5
306.04565	1.2
367.29990	2.5
375.30463	2.3
393.31531	6.9
395.29251	2.5
411.32715	3.4
413.30371	2.4
421.30893	4.7
439.32104	19.5
440.32550	2.7
457.32904	5.4
463.12033	1.4
586.18103	1.3
605.30573	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	1.9
55.05502	6.0
57.07085	3.5
65.03946	3.2
67.05495	7.7
69.07059	8.7
69.27197	2.4
69.27610	9.7
70.14903	1.7
79.05519	7.8
81.07063	19.7
83.08633	9.0
83.09035	1.4
86.87901	1.7
87.10897	1.6
91.05483	24.0
93.07047	15.6
95.08606	28.8
97.10202	1.5
103.05464	3.5
105.07027	17.0
107.08602	22.8
109.06539	3.0
109.10149	14.6
117.07036	3.3
119.04945	26.2
119.08580	23.2
121.10141	21.2
122.03707	1.8
123.04456	2.4
123.11720	7.0
129.06987	2.7
131.04909	2.0
131.08543	4.5
133.10152	13.5
135.04436	2.1
135.11673	14.7
137.06004	13.3
137.13260	7.5
143.08580	6.5
145.10118	10.2
147.04408	100.0
147.11688	12.3
148.04796	3.7
149.09593	2.2
149.13242	14.1
151.07555	12.3
157.10133	3.5
159.11693	6.1
161.05954	3.0
161.09570	2.0
161.13249	6.8
163.03879	10.0
163.07582	2.8
163.14835	6.5
165.05505	19.8
171.08069	5.1
171.11703	6.1
173.13301	4.0
175.07523	3.8
175.14865	7.3
177.05472	1.6
177.16391	23.6
183.11674	2.9
185.13254	3.4
187.14856	4.4
188.08321	6.0
189.09082	4.5
189.12810	2.2
189.16364	13.4
191.17989	4.0
197.13287	2.6
199.14767	3.0
201.12808	1.9
201.16431	6.7
203.10664	16.5
203.14362	2.3
203.17946	19.1
205.15880	3.1
211.07620	1.5
213.12926	2.3
213.16403	7.6
215.17918	4.4
217.19540	2.5
219.17497	1.8
225.12889	2.2
229.19406	2.0
241.12321	2.4
241.19582	3.5
258.18634	1.7
259.16962	6.3
365.17575	3.5
391.33636	2.4
409.34683	5.8
411.32507	6.7
433.53171	1.7
437.34625	10.3
455.35632	16.2
537.64581	1.6
637.26331	2.2
637.34827	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	637.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17835	1.1
55.05500	6.4
57.07054	2.6
65.03941	3.4
67.05497	9.2
67.36356	1.2
69.07060	8.7
71.10901	2.1
76.18774	1.0
78.80507	1.3
79.05473	6.9
81.07050	20.5
81.32009	1.0
83.08621	9.2
91.05478	18.4
93.07033	15.7
95.04966	1.3
95.08596	36.0
96.85494	1.1
97.10178	2.4
105.07012	14.5
107.08578	25.6
107.09251	2.0
109.10139	16.1
111.08115	1.1
117.03316	1.4
117.07038	1.9
119.04935	21.5
119.08564	20.1
121.10138	26.8
123.11720	9.8
130.10109	1.1
131.08534	7.3
131.96416	1.4
133.10133	14.4
133.21393	1.1
135.11696	15.2
137.05960	1.2
137.13234	8.3
143.08568	2.9
145.10081	10.6
146.10580	1.1
147.04396	100.0
147.11676	17.0
148.04742	3.6
149.13231	15.3
151.07590	2.0
151.14804	2.6
153.09129	1.6
157.10190	3.0
158.09334	1.0
159.11655	9.5
161.13248	9.6
163.03918	6.7
163.11227	1.8
163.14813	6.0
165.05469	24.9
165.12752	2.1
171.11699	4.4
173.13235	7.2
175.07462	1.3
175.14781	12.0
177.09073	1.2
177.16374	26.7
178.16745	1.2
183.11705	1.4
185.13271	2.6
187.14746	7.4
189.16373	20.7
190.16724	1.2
191.17944	9.1
199.14828	2.9
201.16385	13.1
203.17929	27.4
204.18401	1.3
205.15883	2.7
207.17459	3.4
211.14792	1.7
213.16374	11.5
215.17886	7.3
215.53354	1.0
217.19513	4.9
219.17374	2.1
227.17883	1.6
231.17393	1.3
235.16890	3.2
241.19528	2.1
243.21072	2.3
245.15248	1.2
246.79938	1.3
247.16925	2.3
249.18547	2.5
253.19434	1.6
255.20955	1.8
259.16925	10.3
261.18524	1.6
267.20923	1.6
287.19983	2.4
299.20169	1.9
309.25418	1.1
329.24829	1.5
343.26370	1.6
391.33578	6.8
409.34589	10.9
410.34296	1.3
411.32452	13.9
437.34171	19.9
438.34387	2.6
455.35144	28.2
456.35284	3.0
637.25555	2.9
637.36145	14.6
638.35669	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.9
53.26555	0.7
53.64568	0.8
55.05510	4.3
57.07071	1.7
57.31019	0.8
60.05647	0.7
65.03919	2.0
67.05508	5.4
69.07068	5.3
70.49158	1.8
79.05497	3.7
81.07057	13.2
83.08620	4.3
91.05469	12.4
93.07041	10.6
94.07382	0.8
95.04961	1.0
95.08604	24.4
96.08929	0.7
97.10184	1.5
105.07033	6.9
107.08590	16.6
108.08892	0.9
109.10152	11.2
110.10461	0.7
112.59368	0.8
117.07063	1.2
119.04945	21.2
119.08578	8.0
121.10141	15.0
122.10436	1.1
123.04398	1.5
123.11717	5.9
125.09656	0.9
129.07059	1.3
131.08557	3.5
133.10129	8.1
135.11688	16.7
137.06094	1.6
137.13242	7.1
139.07495	1.9
143.08569	1.8
145.10129	5.1
147.04405	100.0
147.11688	7.7
148.04759	3.6
149.09648	0.7
149.13258	14.4
151.07538	1.6
151.14804	1.5
157.10106	1.1
159.11678	3.8
161.13290	7.1
163.14799	2.4
165.05473	33.6
166.05869	0.9
171.11699	2.5
173.13272	3.6
175.14821	4.2
177.16376	14.0
179.10800	0.8
185.13254	0.9
187.14854	4.3
189.16354	6.9
191.14331	1.8
191.17961	4.7
193.15836	1.5
199.14832	2.0
201.16367	6.0
203.10625	0.9
203.17940	18.9
204.18256	1.4
205.15860	1.7
213.16315	1.8
214.17014	1.3
215.17944	3.5
217.19559	3.4
219.17447	1.6
225.16483	0.9
227.17900	1.5
229.15839	0.8
229.19547	2.3
231.17407	2.3
233.15388	0.9
241.19475	1.8
243.21068	1.5
247.16870	2.6
255.21066	1.0
259.16946	0.8
273.18387	1.0
275.20245	1.5
277.17944	3.0
285.22150	1.4
287.19986	1.3
313.21579	0.8
351.30411	1.2
379.33530	1.1
383.33139	1.2
391.33493	2.5
397.34531	1.5
409.34653	18.9
410.34995	2.4
425.34229	3.4
427.35666	2.4
436.34836	0.7
437.34204	2.2
455.35144	12.6
456.35492	2.5
621.14764	1.2
637.43317	8.9
638.33142	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
55.05511	4.5
57.07072	1.9
62.23938	0.6
65.03935	1.0
67.05503	5.3
69.06762	0.8
69.07070	8.1
79.05492	5.5
81.03432	0.7
81.07059	18.1
83.08624	5.3
91.04940	1.4
91.05480	16.5
93.07049	14.5
95.04983	1.0
95.08610	25.5
96.00924	0.6
96.08932	0.9
97.10152	1.9
98.22512	1.4
105.07024	10.9
107.08598	18.7
109.10157	12.4
117.07000	1.7
119.04949	23.5
119.08579	12.5
121.09277	1.0
121.10147	19.0
123.04398	0.8
123.11715	7.7
129.06992	1.1
129.98283	0.7
131.08589	6.1
133.10126	11.5
135.11694	18.0
137.06000	1.9
137.13258	9.8
139.11229	0.7
141.06946	0.7
143.08546	1.1
145.10114	5.0
147.04408	100.0
147.11711	7.7
148.04749	3.1
148.55052	0.8
149.05951	0.9
149.13254	17.1
151.07535	1.4
151.14835	2.0
157.10164	1.9
159.11685	5.7
161.13263	9.4
163.07695	0.8
163.14813	4.2
165.05486	33.3
165.12766	1.1
171.11693	3.4
173.13232	6.9
175.14830	5.0
177.09198	0.8
177.16389	14.5
183.11809	0.8
185.13284	3.0
187.14842	2.7
189.08995	0.8
189.16351	5.3
191.14336	5.2
191.17912	4.6
193.15883	1.1
197.13298	1.1
199.14848	2.4
201.16402	6.2
203.17953	16.7
204.18352	1.1
205.12222	1.2
205.15823	1.2
205.19487	1.6
207.17551	0.9
213.16371	3.5
215.18002	4.8
217.12251	0.8
217.19475	4.5
219.13850	1.5
219.17459	1.5
227.17986	1.7
229.15875	1.6
229.19572	1.6
231.17311	3.4
233.15454	1.0
239.17926	1.2
241.19543	2.6
247.16920	0.9
255.21121	1.6
257.19003	0.8
259.16907	2.8
259.20541	1.2
267.20941	1.0
269.22641	0.8
277.17978	2.2
285.22095	0.9
287.20071	1.2
351.30353	1.1
369.31497	0.8
383.33136	2.2
391.33505	3.3
409.34683	17.3
410.35547	1.3
427.35672	2.5
437.34259	4.8
455.35205	13.2
456.35513	1.8
491.54379	0.7
637.35864	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	638.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.1
53.03944	0.2
55.01865	0.2
55.05500	0.4
63.17353	0.1
65.03944	0.2
67.05495	0.6
68.60887	0.1
68.99759	0.1
69.03425	0.1
69.05692	1.1
69.07063	0.2
72.57666	0.1
77.03941	0.1
78.04724	0.3
79.05499	0.9
81.03432	0.3
81.07060	0.7
83.04945	0.2
83.08611	0.2
89.03889	0.2
90.04679	0.1
91.05476	1.5
93.07024	0.4
95.04962	0.8
95.08609	0.5
97.02850	0.1
97.10139	0.1
105.03389	0.2
105.07032	0.3
106.04159	0.2
107.04945	1.0
107.08572	0.4
107.09261	0.1
108.05737	0.3
109.06516	0.7
109.10142	0.2
111.04446	0.1
111.08067	0.2
117.19855	0.1
118.04149	0.1
119.04970	0.1
119.08546	0.2
120.05713	0.2
121.06487	0.4
121.10164	0.2
122.03607	0.1
123.04433	1.2
123.08018	0.1
125.09619	0.1
131.08545	0.2
133.10085	0.2
135.04395	0.3
135.11755	0.2
136.05200	0.5
137.05965	3.2
138.06747	1.6
145.10124	0.1
146.05545	0.1
147.11684	0.1
148.05177	12.1
149.05598	0.5
149.09595	0.1
151.03920	1.3
151.07623	0.2
153.09021	0.1
163.11172	0.2
165.05457	0.3
166.06200	0.5
177.09094	0.1
181.08582	100.0
182.08928	3.7
196.64920	0.1
275.12802	0.1
275.19971	0.2
291.19598	0.1
293.21094	0.3
362.77844	0.1
538.10620	0.1
560.52899	0.1
617.96912	0.1
622.26074	0.1
638.42029	0.2
639.43079	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	639.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61595	0.5
55.05503	3.0
66.25996	0.5
69.03426	0.5
70.06578	0.7
79.05460	0.5
81.07037	0.5
82.06590	0.6
83.04989	0.8
83.08622	2.1
85.02901	0.4
91.01693	0.4
100.07637	1.0
100.11255	8.3
111.04456	1.9
112.07636	0.6
123.04400	0.6
128.07095	1.7
135.04424	1.4
137.02321	0.7
137.06000	1.8
140.07104	0.5
151.03928	0.7
153.01823	1.3
163.07506	0.6
170.77388	0.5
181.04974	0.5
182.15405	5.4
189.05270	1.7
205.04857	1.2
209.16547	2.1
210.14873	6.9
219.06317	0.6
227.17564	0.8
228.15988	0.8
234.08586	3.0
245.08023	0.8
245.18596	0.8
261.07248	0.8
336.22800	0.5
337.21472	0.8
363.12186	0.7
367.11472	1.3
379.11810	0.9
382.13931	1.4
394.13730	1.6
397.12500	2.9
412.14761	3.5
413.15878	0.7
442.16232	1.0
513.05023	0.5
566.91956	0.8
567.42065	1.0
609.23529	1.2
610.23279	0.6
621.44922	0.6
630.44922	1.5
639.24042	100.0
639.95502	0.8
640.24451	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	639.241
Annotation	Unknow
Peak:m/z	Relative Intensity
69.88605	2.2
69.89026	1.2
76.11520	0.8
89.78065	0.9
91.05462	1.2
93.07053	0.9
135.04398	1.7
137.05974	1.8
140.18243	0.7
151.03955	0.8
159.04106	1.9
160.80658	0.7
167.06978	1.3
175.03743	0.8
177.05475	1.8
189.05220	63.4
190.05566	2.3
202.05998	1.1
203.06786	18.9
204.07549	3.7
205.58179	0.8
215.06996	0.9
216.07567	1.5
217.08363	12.1
232.07120	1.0
233.07863	2.2
245.07921	1.5
275.09067	0.8
280.34128	0.8
286.04666	1.7
301.06982	5.5
383.14621	1.9
399.14227	3.5
413.15561	2.5
414.16446	56.1
415.17044	13.9
427.17230	1.5
552.89142	0.8
577.20459	0.9
579.21411	1.4
607.21179	0.9
609.22852	6.8
610.23566	0.8
639.23792	100.0
640.24329	14.6
667.60791	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35598	1.2
65.46407	1.2
67.05489	3.8
69.07088	2.8
71.33466	1.5
71.33861	2.0
72.52231	1.4
72.75499	1.5
77.28201	1.6
79.05492	2.4
81.07053	4.9
86.09737	1.5
91.05455	3.3
93.07057	2.1
95.08605	4.2
105.07039	1.6
109.10123	2.3
121.10139	2.8
123.11725	1.8
137.05997	1.7
302.09286	1.4
312.29602	1.4
351.16721	1.3
473.34964	1.4
548.94287	1.7
639.25391	100.0
639.36493	21.3
640.26190	17.1
640.36188	2.5
656.17517	1.9
666.50702	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.5
53.03949	1.7
55.01869	3.5
55.05507	5.9
55.35980	0.3
55.48796	0.3
57.03437	2.7
57.07079	1.8
61.02903	0.3
65.03939	1.8
67.05504	13.1
67.05863	0.7
69.03429	5.9
69.07059	3.5
71.01342	1.0
71.04995	2.0
71.32592	0.5
73.02902	0.5
77.03915	0.4
79.05037	0.6
79.05492	11.8
81.03415	13.9
81.07054	13.6
82.04191	0.4
83.04982	4.2
83.08624	3.3
85.02895	3.3
85.06532	0.8
86.09705	0.6
87.04443	0.5
91.05477	11.5
93.03412	0.7
93.07042	9.9
94.04186	0.3
95.04413	0.4
95.04972	4.8
95.08604	5.1
97.02888	5.0
97.06535	2.8
97.10166	2.0
99.04435	1.1
99.08068	0.5
103.05470	4.4
105.04541	0.5
105.07025	15.7
107.04949	3.1
107.08594	5.4
109.02883	2.4
109.06519	1.9
109.10140	2.1
111.04454	2.0
111.08092	1.5
113.05958	0.4
115.05448	14.8
116.05761	0.3
117.05406	0.3
117.07030	2.9
119.04945	1.8
119.08584	4.4
121.06528	2.4
121.10149	3.6
122.03637	0.5
123.04414	2.3
123.08073	1.2
123.11710	1.0
125.02348	0.3
125.05962	0.4
125.09617	1.5
127.03946	1.5
127.11176	0.4
128.06187	0.9
129.05482	0.6
129.07005	3.0
131.04941	2.6
131.08562	3.4
133.06487	13.8
133.10110	3.5
134.06844	0.4
135.04410	0.7
135.08072	1.4
135.11668	2.1
136.08578	0.3
137.05971	7.2
137.09592	0.6
139.03966	0.4
139.11143	0.3
141.06979	0.7
142.07822	0.4
143.04916	18.2
143.08546	1.0
144.05286	0.6
145.06503	1.7
145.10130	1.9
147.04396	1.7
147.08037	1.1
147.11700	2.2
148.05228	0.7
149.02359	3.7
149.03438	0.5
149.05984	1.9
149.09605	1.3
149.13261	2.1
151.03874	1.9
151.07527	3.3
152.06303	0.3
152.07878	0.3
153.05421	0.6
153.06970	0.7
153.12729	0.4
155.05931	0.3
155.08545	2.5
157.06485	0.7
157.10118	1.2
158.07196	0.6
159.08044	1.1
159.11673	1.3
161.05971	100.0
162.06317	3.5
163.03917	0.8
163.07567	3.6
163.11160	1.6
164.08305	0.8
165.05472	1.6
165.06850	0.6
165.09135	1.4
165.12761	0.6
168.05661	0.3
169.10216	0.3
171.06516	1.0
171.07964	0.4
171.11699	0.5
173.04459	2.0
173.05954	0.5
173.09647	2.2
173.13028	0.3
175.03883	2.9
175.07521	1.6
175.11166	1.2
177.05403	0.4
177.09082	0.6
177.12738	0.7
179.08553	0.3
181.05035	0.3
181.10114	0.3
181.12276	0.4
182.07242	0.3
182.93044	0.3
183.06589	0.5
183.08031	1.9
183.11702	0.6
185.05884	0.3
186.06772	0.4
187.07556	1.0
188.08270	0.3
189.09120	1.2
189.11270	0.5
191.07071	0.4
191.10712	0.7
193.05005	2.1
193.12199	1.9
195.13815	1.9
198.06737	0.3
199.07600	0.4
199.13307	0.3
201.09109	6.6
203.06970	0.3
203.10687	0.4
205.08640	0.5
207.08005	0.4
209.08051	0.7
209.11649	1.4
210.06735	0.5
211.07579	0.7
211.11455	0.4
211.13188	1.6
213.09320	0.4
215.10616	0.4
217.12152	0.3
219.08150	0.3
219.11775	0.3
219.13776	0.3
221.09669	0.4
223.07434	0.4
223.13269	0.3
224.08334	0.5
224.10535	0.3
225.09047	1.1
225.11020	0.3
227.12762	0.8
229.14235	0.4
232.08751	0.3
233.09752	0.4
235.07487	0.8
235.13297	0.4
237.07510	0.8
239.07021	0.4
239.10693	0.4
243.10085	0.4
247.11131	0.6
249.09038	0.7
253.08531	0.5
256.07336	0.5
261.09036	0.4
265.08539	0.4
265.12009	0.3
267.10175	0.7
267.15854	1.0
269.17465	1.8
275.10748	0.8
277.08481	0.7
278.09366	0.3
279.09570	0.3
279.13846	0.8
281.08112	0.5
283.09525	0.7
283.15329	0.9
285.11221	2.5
292.10852	0.7
293.11435	0.7
295.09604	0.4
296.10349	0.3
297.11212	0.5
299.09152	9.0
299.12540	0.6
300.09491	0.5
301.10706	0.5
305.11572	0.4
307.13251	1.1
308.13818	0.4
309.11194	0.7
309.16824	0.4
309.53174	0.3
310.11911	0.5
311.09305	0.4
311.12772	0.6
311.18393	0.3
322.39719	0.3
323.12714	0.7
325.14307	4.0
327.12424	0.5
335.12701	0.5
339.18484	0.3
349.14233	0.5
367.15497	1.6
395.20508	0.6
415.16162	0.3
423.27432	0.7
424.27606	0.3
477.28342	1.4
495.29352	0.6
497.18542	0.3
501.18469	0.3
515.20911	0.4
621.23907	0.9
621.32758	0.7
639.25488	16.5
639.34351	3.5
640.26318	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11826	0.3
55.05516	0.3
66.52048	0.3
69.07006	0.4
69.29169	1.7
79.05492	0.3
81.07055	0.4
85.42956	0.3
86.09689	1.8
87.41626	0.3
91.05496	0.4
94.78144	0.3
95.08622	0.5
105.07040	0.4
107.04930	0.4
107.94483	0.4
133.10068	0.4
133.62701	0.3
137.05963	0.6
167.08160	0.5
168.34935	0.4
175.03802	0.7
176.04491	0.8
189.05220	28.3
190.05586	1.7
201.05272	0.7
202.06006	3.5
202.07690	0.4
203.06764	1.7
205.04684	5.4
205.07962	0.3
216.07547	5.2
217.08328	5.9
218.09142	0.4
219.06334	0.7
233.07841	7.9
233.10155	0.5
234.08644	4.9
235.09343	0.7
247.09439	4.9
261.10977	0.4
316.45618	0.3
323.05933	0.3
374.83969	0.3
379.23315	0.4
385.12561	0.6
397.16068	0.4
408.70004	0.3
413.15637	4.3
414.16058	0.6
425.19376	0.4
427.17249	6.8
428.18015	6.5
429.18491	2.4
609.26434	0.7
628.55627	0.4
639.27679	100.0
640.27997	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	639.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06563	0.4
71.31995	0.7
72.97379	0.4
85.02919	0.4
88.00954	0.4
89.41561	0.4
100.74584	0.4
109.50799	0.4
117.39709	0.4
123.04402	0.4
129.77161	0.4
135.04517	0.4
153.01831	1.1
205.04706	1.2
214.84357	0.4
237.07976	0.4
243.37589	0.4
249.15733	100.0
250.16042	5.0
413.14185	18.3
414.14310	0.8
639.22681	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	639.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95544	0.5
53.03947	6.3
55.01868	5.5
55.05510	19.1
57.03433	9.5
57.07065	1.1
59.04998	1.3
61.02929	0.5
63.51049	0.5
64.19076	0.5
65.03940	2.4
67.05503	25.8
68.78165	0.5
69.03065	1.0
69.03423	15.7
69.07067	6.9
69.95370	1.9
71.01344	0.9
71.04992	6.4
73.02906	0.8
77.03924	0.8
79.05489	28.2
80.05826	0.7
81.03414	100.0
81.07053	32.7
82.03754	1.7
82.07379	0.9
83.04472	0.8
83.04976	19.6
83.08614	21.0
85.02902	22.7
85.06541	2.2
87.04480	0.6
91.05479	35.1
92.05822	0.9
93.03358	0.5
93.06447	1.1
93.07041	19.5
94.07389	0.6
95.01376	0.8
95.04964	26.2
95.08604	11.4
95.36057	0.7
96.08945	0.6
97.02885	13.3
97.06534	4.9
97.10165	7.0
98.23266	0.6
99.04465	4.8
99.08112	1.2
101.02386	0.7
103.03921	1.0
103.05492	2.2
105.04520	1.7
105.07027	22.4
107.04936	9.6
107.07858	0.7
107.08587	11.3
109.02874	16.2
109.06507	5.1
109.10153	5.0
111.04446	12.3
111.08073	9.7
113.06007	1.5
115.05474	2.7
117.07010	4.4
119.04939	2.7
119.08572	21.2
121.06504	3.6
121.10143	11.0
122.70284	0.6
123.04421	2.4
123.08092	2.7
123.11707	3.0
125.06005	1.4
125.09618	4.5
127.03922	8.0
128.06236	1.5
129.05496	2.3
129.06990	13.3
130.07388	0.7
131.04948	2.0
131.08566	11.0
133.06525	4.0
133.10117	10.2
133.11029	0.9
135.08066	2.2
135.11658	3.4
137.05994	2.7
137.09616	2.4
138.69019	0.6
139.15842	0.6
141.07040	1.2
142.07796	2.5
143.08534	2.1
145.04907	0.8
145.06509	2.7
145.10132	4.1
147.04472	1.6
147.08058	3.9
147.11679	16.5
148.12106	0.9
149.05974	2.0
149.09622	6.7
149.13255	0.7
151.03940	1.0
151.07584	1.7
151.11169	0.9
153.05510	0.7
153.09088	1.0
153.12776	2.4
155.08588	1.7
155.21735	0.6
157.06509	1.1
157.10109	11.1
159.08095	1.4
159.11763	1.7
161.06026	1.7
163.07607	1.5
163.11185	5.3
165.09059	0.7
165.12752	5.0
167.08519	0.9
171.08080	0.8
171.11754	1.3
173.04521	1.5
173.05887	0.7
173.09619	2.0
173.13275	1.0
175.07536	0.8
175.11176	13.6
175.12625	0.9
177.12755	1.3
181.12241	3.5
183.06624	0.7
183.08073	0.7
183.11693	0.9
187.07408	0.8
189.05504	1.0
189.11230	1.8
189.12730	1.0
191.10674	3.2
193.12239	46.3
194.12602	1.9
199.11288	0.8
201.09201	0.9
203.10706	0.9
205.08615	1.3
207.13792	0.8
209.11719	1.4
211.13281	65.1
212.13577	2.7
215.14381	0.7
217.12338	0.6
227.12650	5.9
229.14442	2.0
233.15324	0.9
235.13307	1.5
237.12711	0.7
249.14845	3.1
255.13860	1.1
265.14462	1.1
267.15903	22.0
268.16422	0.7
273.14801	3.8
277.14459	1.3
283.15549	2.2
285.16989	13.5
286.17361	0.8
289.14297	0.8
297.16660	0.7
301.14191	4.5
309.17001	1.2
311.12802	0.8
313.16513	1.6
319.15378	2.9
337.16608	3.5
355.17450	6.3
357.24469	0.7
367.22952	2.1
375.18033	1.4
385.23651	3.1
393.19131	2.4
403.24854	0.8
411.20117	6.0
412.20706	0.8
429.21381	2.0
451.26086	0.7
459.27420	7.7
459.33231	0.8
460.28030	1.2
477.28418	13.7
477.34946	1.1
478.28711	1.0
495.29462	11.1
496.29807	0.9
501.28226	0.9
511.28778	1.1
519.29535	1.0
561.30835	1.0
585.30780	2.4
603.31738	3.3
621.32770	9.4
622.33344	0.8
639.33716	42.0
640.34125	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.5
54.37478	0.4
55.01878	1.2
55.05510	1.4
56.89995	0.4
57.03452	0.4
57.07068	0.4
65.03954	0.9
67.05508	4.3
69.03438	0.5
69.07077	1.6
71.31954	0.4
79.05502	3.6
81.03449	0.8
81.07053	4.5
83.05008	0.7
83.08624	1.0
91.05471	4.2
93.07036	3.2
94.04199	0.6
95.04967	1.1
95.08609	4.9
95.51141	0.4
97.06532	1.1
97.10195	1.1
103.05459	2.5
105.07026	3.8
107.04990	1.1
107.08621	3.0
108.02781	0.4
109.06568	0.9
109.10163	1.6
111.08103	0.5
112.55741	0.4
115.05486	0.6
117.03423	0.7
117.07018	1.0
119.04959	0.7
119.08566	2.8
121.06515	0.9
121.10146	2.9
122.03668	0.8
123.04440	1.1
123.08076	1.0
123.11750	0.5
125.06013	0.5
125.09644	1.1
128.06218	1.0
129.07030	1.6
131.04982	1.7
131.08603	1.5
133.06509	1.1
133.10165	1.8
135.04469	0.7
135.08028	0.8
135.11736	1.7
137.05959	9.0
143.08563	1.0
145.02858	1.2
145.06555	1.4
145.10143	1.8
147.04465	1.4
147.08037	0.7
147.11743	1.3
148.05176	0.6
149.02351	2.5
149.05945	2.3
149.13324	0.8
150.02679	0.7
151.03972	1.9
151.07542	3.1
153.06953	0.4
155.08589	0.7
157.06540	0.9
157.10201	0.7
159.08066	0.9
159.11710	1.0
161.06015	2.1
161.13304	0.8
163.03938	3.6
163.07538	3.1
163.14801	1.1
164.08360	1.1
165.05626	0.6
165.07024	0.5
165.09123	1.6
167.07091	0.6
173.05928	0.6
173.13356	0.7
175.07567	2.0
175.11261	0.6
175.14835	0.7
177.05505	2.9
179.07172	0.5
179.08714	0.4
181.10081	0.5
185.00743	0.6
185.13182	0.5
187.07549	1.0
189.09120	1.2
189.16443	0.9
191.07249	0.8
193.04953	0.9
195.06535	0.9
197.09695	0.6
201.09085	0.7
203.07077	1.3
203.10793	0.5
203.17946	0.7
205.08679	0.9
205.12369	0.6
211.07642	0.5
213.09253	0.9
215.07045	0.5
219.06458	0.5
225.09184	0.9
233.09683	1.0
235.07526	0.7
243.21054	0.5
249.09180	0.6
263.10843	0.5
270.09021	0.8
273.18588	0.6
275.20123	0.6
277.08658	0.7
279.23212	0.6
281.08533	0.4
285.11249	1.1
291.10226	0.8
291.19580	0.8
293.11829	0.6
295.10007	0.6
299.09320	1.5
299.12906	2.8
301.02588	0.4
307.09833	0.4
307.13235	0.6
309.11261	2.1
311.09402	1.1
311.12891	2.5
312.13614	1.4
323.12885	0.6
327.12234	0.9
328.13022	0.7
337.21927	0.6
339.16083	1.4
349.14276	1.1
355.23480	0.6
367.15601	1.3
409.34445	0.5
429.13452	0.5
497.19376	0.5
621.24609	2.2
621.40631	0.5
622.16296	0.9
639.40924	100.0
640.41266	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	640.5144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.0
53.83118	3.3
55.05505	18.3
57.03430	13.1
57.07076	47.0
67.05503	53.8
69.07066	27.4
69.87247	2.6
71.04987	4.3
71.08634	31.1
79.05491	36.2
81.03421	6.6
81.07053	66.1
81.33185	2.9
83.04986	6.2
83.08611	17.6
85.06533	3.4
85.10191	16.0
86.78075	3.0
91.05472	31.1
93.07046	37.5
95.04957	8.7
95.08599	43.5
97.06511	7.4
97.10164	8.9
99.08086	4.9
105.07024	20.9
107.04915	5.1
107.08582	22.2
109.10157	21.5
111.08107	4.5
111.26974	2.8
117.06985	15.3
119.08566	20.2
121.10126	14.6
122.24991	3.1
123.08025	2.7
123.11733	7.7
129.06989	5.2
131.08572	7.3
133.10109	18.1
135.08023	5.2
135.11688	15.8
143.45792	3.0
145.10085	9.4
147.11690	9.5
149.09651	7.2
149.13237	9.8
159.11697	11.6
163.11168	6.0
177.12784	4.9
184.60948	2.9
195.13777	5.2
239.23747	9.7
247.20570	3.3
255.15936	22.8
257.19025	8.9
269.17511	28.1
275.20035	36.8
293.20886	3.3
313.27335	100.0
314.27594	7.0
349.23645	16.2
367.24908	4.5
473.14902	3.5
493.38977	23.3
494.38995	3.2
507.40482	97.2
508.40665	10.5
547.43610	10.3
549.69861	3.6
555.20557	3.6
577.22278	3.8
587.46466	12.3
605.47229	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	641.1496
Annotation	Quercetin 3-(6''-feruloylgalactoside)
Peak:m/z	Relative Intensity
55.01864	0.3
56.87577	0.2
57.03418	0.3
63.02372	0.7
65.03943	0.3
67.05505	0.2
68.99798	0.5
69.03417	0.6
69.15262	1.5
71.01388	0.2
73.02899	0.4
77.03906	0.3
78.04726	0.3
81.03394	0.8
81.07039	0.4
85.02895	0.6
89.03912	8.8
90.04263	0.3
91.05476	0.6
93.07029	0.5
95.04938	0.5
97.02890	0.6
103.05450	0.5
106.04162	0.5
107.04924	0.5
109.02855	0.7
111.00773	0.7
117.03373	25.1
118.03690	0.6
121.02840	0.7
121.10097	0.3
123.04375	0.4
124.15975	0.2
127.03913	0.4
131.04967	0.3
133.06490	0.3
134.03632	1.8
135.04425	2.4
137.02316	2.6
137.05952	0.6
139.03830	0.3
145.02840	57.9
145.10056	0.3
146.03157	2.0
147.04398	0.4
148.59584	0.2
149.02345	0.3
149.05963	8.1
150.06357	0.5
151.03937	0.4
153.01830	3.8
155.04924	0.2
159.75003	0.2
161.05965	0.3
162.03062	0.5
163.03900	5.1
165.01833	1.5
173.05966	0.6
177.05458	100.0
178.05789	3.9
180.67056	0.2
183.01434	0.2
183.02876	0.9
186.05464	0.9
187.03845	0.3
189.05386	0.3
195.06583	0.3
196.92635	0.2
201.05484	1.4
203.07007	0.4
205.04965	0.6
215.07001	0.3
219.02618	0.2
219.06544	0.2
227.12726	0.3
229.04974	2.8
247.06010	0.4
257.04425	2.0
261.07578	0.6
273.07388	0.2
274.04706	0.6
279.08621	0.4
285.03830	0.9
285.06866	0.2
303.04971	57.8
304.05298	3.1
317.06531	0.9
321.09692	0.8
326.44131	0.2
339.10696	6.7
340.11176	0.4
345.05994	0.8
491.69296	0.2
491.77106	0.3
633.18762	0.3
641.26349	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01613	0.3
51.02380	0.4
53.03935	2.7
54.46322	0.3
55.01869	1.3
55.05508	3.0
57.03429	3.3
59.04995	0.7
61.02929	0.6
65.03940	1.0
67.05499	2.9
69.03425	10.9
69.07066	1.3
70.06591	0.3
71.04993	1.4
71.32899	0.3
73.02921	0.9
75.04474	2.8
77.03919	0.9
79.05491	16.3
80.05849	0.4
81.03414	12.6
81.07052	6.0
83.04987	2.0
83.08616	0.6
85.02899	7.8
85.06564	0.4
87.04472	1.0
91.05475	18.8
92.05804	0.7
93.07039	63.4
94.07369	1.9
95.04970	4.7
95.08608	2.8
97.02883	6.2
97.06524	0.8
99.04450	2.2
103.03918	0.6
103.05453	3.9
105.04520	1.2
105.07025	20.9
106.07814	1.0
107.04945	1.0
107.08593	7.6
109.02877	4.8
109.06521	2.0
109.10149	1.2
111.04450	2.1
111.08068	2.7
115.05441	0.9
116.06232	1.4
117.06992	2.5
119.04935	1.3
119.08572	27.1
120.08897	1.0
121.06518	3.8
121.10136	100.0
122.03654	0.4
122.10468	4.1
123.04417	0.9
123.08064	3.1
123.11711	1.9
125.05983	0.7
125.09679	0.3
127.03922	3.3
128.06184	0.5
129.05473	1.3
129.06964	1.4
131.04921	1.0
131.08554	7.0
133.06531	0.6
133.07596	2.5
133.10115	1.9
135.04385	1.0
135.08095	0.6
135.11685	1.1
137.05959	4.7
137.09607	0.5
139.11182	2.2
141.06992	0.4
141.08142	0.3
142.37823	0.3
143.08545	0.7
145.04961	1.5
145.06512	0.7
145.10118	1.2
147.04445	0.5
147.06540	0.3
147.07990	0.5
147.11720	0.8
149.05994	1.0
149.09607	65.5
150.09947	2.4
151.03940	1.5
151.07521	4.1
153.01834	3.1
153.05484	0.7
153.06877	0.4
157.10132	0.8
159.08054	0.5
159.11700	0.8
161.05975	1.0
161.09625	0.6
161.13257	0.4
163.03920	0.6
163.07538	0.6
163.11189	1.0
164.08281	0.5
165.05444	0.5
165.09097	1.6
167.07037	1.6
167.10670	15.3
168.10970	0.8
171.08046	0.5
173.05992	0.6
175.03935	0.4
175.07544	0.7
175.11154	0.5
175.14772	0.3
177.05452	0.7
181.04947	1.4
181.06464	0.4
185.09668	0.4
187.11203	0.5
188.08311	0.8
189.08936	0.7
189.16347	0.3
191.07007	0.3
191.10677	0.4
191.14316	0.4
193.12148	0.3
201.12790	0.4
203.10687	1.9
205.04688	1.4
205.12253	0.3
207.06422	1.0
219.06363	0.5
225.01801	0.6
227.12727	0.4
228.00482	0.5
234.08571	0.6
247.13213	0.4
253.01234	0.8
267.10095	0.3
271.02350	1.2
283.09714	0.3
283.99554	0.6
285.11026	0.3
293.13806	11.3
293.99088	0.4
294.14288	0.4
299.01822	3.7
299.12637	0.4
300.99783	0.7
311.14890	5.4
315.04755	0.6
316.02216	1.8
325.10629	0.4
327.12384	0.7
327.15836	1.0
330.03568	0.4
331.04449	8.6
332.04886	0.7
339.12048	0.3
340.68701	0.3
385.12732	0.4
413.15576	0.4
461.88397	0.3
462.71283	0.3
487.75085	0.3
641.23145	3.1
641.33362	3.4
642.25677	0.6
642.45227	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01599	0.4
50.07566	0.3
51.02377	0.8
53.03952	0.8
54.06621	0.3
55.01867	0.6
55.05502	1.0
57.03421	0.5
57.54614	0.3
60.67028	0.3
64.71236	0.4
65.03937	1.3
67.05496	1.4
69.03429	2.8
69.07057	0.9
70.18719	0.5
70.19080	1.2
71.05016	0.5
74.00169	0.3
79.01846	3.4
79.05486	1.6
81.03412	6.5
81.07058	1.9
83.04986	0.5
85.02908	3.0
85.06566	0.4
90.65662	0.4
91.05473	19.1
92.05815	0.5
93.07014	1.9
94.04183	1.6
95.04960	3.2
95.08606	0.8
97.02888	4.1
97.06524	0.5
97.10142	0.7
99.04449	0.7
103.03929	0.6
103.05431	0.8
105.07009	3.0
107.01315	1.1
107.04939	1.0
107.08572	1.1
109.02870	3.4
109.06490	0.9
109.10130	1.2
115.05461	0.5
117.03335	0.5
117.07040	0.5
119.04933	14.2
119.08548	1.0
121.02859	2.1
121.06429	0.6
121.10123	1.3
122.03648	3.8
123.04419	0.8
123.11692	0.6
125.02321	2.0
125.09628	0.4
127.03912	5.2
128.06201	2.3
129.06943	0.7
131.04884	0.7
131.08534	0.7
133.06487	1.8
133.10089	0.7
135.04391	0.6
135.11668	0.4
136.05183	1.2
137.05966	60.0
138.06313	1.2
139.03912	0.6
143.03394	4.7
143.08546	7.5
145.02843	0.5
145.04990	1.0
145.06473	1.6
145.10123	1.7
147.04402	0.4
147.11722	0.8
149.05969	0.6
149.09569	0.7
151.04085	2.0
151.07530	79.9
152.07852	2.8
153.01816	100.0
153.02872	4.3
154.02170	2.3
157.06413	0.6
157.10106	0.7
158.07294	0.4
159.08005	0.8
159.11696	0.5
160.08855	1.4
161.05968	1.1
161.09573	0.4
161.13274	0.6
163.03847	0.5
163.07573	0.8
165.05455	0.5
165.09091	8.7
166.09555	0.4
167.07033	1.6
171.02873	8.3
171.08046	5.9
171.86052	0.4
172.08810	2.2
173.05913	2.1
173.13223	0.5
175.07524	1.1
175.11151	0.6
175.14775	0.4
177.05423	1.1
177.09109	0.6
178.09926	0.7
179.07005	0.5
181.04955	1.3
187.07468	0.5
187.14728	0.4
188.08311	19.1
189.08893	1.3
191.06981	0.5
191.10661	0.7
193.08722	0.4
203.10652	57.4
204.10974	2.7
211.16904	0.3
225.09143	0.4
227.10640	0.5
233.07962	0.5
253.08379	0.4
255.04904	0.7
267.10135	0.6
269.08008	1.2
283.09616	1.3
284.10416	0.7
285.11096	0.5
293.11557	0.4
295.13229	0.5
297.06036	9.0
298.11880	0.9
305.11850	0.4
311.12787	0.8
315.06955	3.5
316.07501	0.5
325.10602	0.6
325.14346	0.9
327.15878	43.8
328.16229	4.0
331.11655	0.5
339.11804	0.7
385.12643	0.5
437.16125	1.1
608.27783	0.4
641.23285	7.6
641.35425	2.9
642.23975	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.9
55.01865	2.4
57.90281	1.2
65.03937	6.2
67.05500	3.7
69.03429	1.9
69.51169	2.7
69.51585	5.3
70.06574	1.6
72.08123	2.0
78.04729	1.9
79.05470	3.5
82.04186	3.2
85.02892	5.4
91.05467	8.9
93.03379	1.7
95.04953	1.7
97.06525	3.2
98.23303	1.9
103.05465	2.7
105.03381	1.3
107.04945	10.5
110.03647	2.0
111.04483	1.6
115.05463	9.3
117.07008	12.0
119.04936	2.6
119.08540	1.7
120.05677	1.5
121.02772	1.5
121.06517	1.8
123.04422	5.2
124.05184	1.8
127.05417	2.5
131.04918	2.4
133.02800	2.3
133.06473	1.4
135.04388	5.8
135.07887	1.2
137.05962	11.4
138.03044	2.0
141.46185	1.3
142.02536	1.7
143.04890	2.7
145.06471	21.0
146.07121	1.5
147.04430	3.1
147.08047	2.1
148.05133	2.7
151.03882	3.5
151.07574	2.6
153.05489	2.1
155.04897	2.0
155.06026	6.6
159.04329	1.6
161.05962	5.9
163.07559	1.5
165.05435	9.1
167.07030	53.9
168.07425	2.0
171.06560	3.8
172.05075	1.3
173.05981	21.2
174.06621	2.2
175.07576	2.7
176.04605	2.0
177.05354	2.6
180.07837	1.4
181.04942	88.5
182.05321	1.6
189.05226	31.7
189.09102	2.8
190.05821	1.8
191.07008	6.9
195.06427	1.9
201.05447	13.1
202.06163	2.6
203.06888	15.6
204.07570	2.0
205.04825	3.4
205.08574	8.1
214.06082	1.7
217.08478	11.4
219.06503	11.2
220.07185	3.3
225.07593	3.9
231.06419	3.2
233.08046	20.6
234.08871	13.6
235.09491	6.7
275.06680	1.4
281.51581	1.4
293.07794	1.6
355.11481	3.4
357.13330	2.6
359.11304	3.0
369.13135	1.6
385.12729	30.0
386.13345	5.7
387.14221	4.2
398.13495	2.4
414.16507	5.7
415.13516	10.1
416.14618	17.4
417.15378	10.0
429.14679	1.6
443.16446	1.4
611.21265	2.4
641.25403	100.0
642.25714	15.8
667.58368	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
66.54099	0.2
79.05508	0.2
81.07037	0.3
82.95105	0.2
88.91949	0.2
90.43502	0.2
96.67229	0.2
103.05383	0.2
108.77178	0.2
110.28682	0.2
131.07500	0.2
137.05974	0.4
149.09644	0.5
163.05951	0.2
167.07021	1.9
167.80054	0.2
172.05075	0.2
173.05890	0.2
175.03761	0.5
176.04434	0.2
181.04996	0.7
187.03630	0.3
189.05217	12.7
190.05661	0.4
201.05353	0.8
202.05983	2.7
203.06792	0.7
215.06801	0.4
216.07561	7.1
217.04875	0.2
217.08260	0.8
219.06235	1.5
232.06972	1.4
233.07835	12.8
234.08589	8.1
235.09258	0.5
242.90105	0.2
247.09409	10.3
248.09819	0.4
274.10568	0.2
365.13644	0.3
386.13110	0.3
392.90738	0.2
399.14127	4.8
400.14743	0.4
413.15677	13.9
414.16013	1.2
429.15167	2.7
430.15973	0.4
443.16840	0.6
444.17505	4.6
445.18045	1.1
457.18323	0.4
489.74994	0.2
593.23761	0.3
611.24371	0.9
641.25610	100.0
642.25946	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	641.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15948	0.2
60.50735	0.2
65.03926	0.2
81.82365	0.2
114.87563	0.2
135.04335	0.3
137.05942	0.4
151.03899	0.3
153.01855	0.6
167.07108	0.3
175.03612	1.0
176.04486	0.2
181.05008	0.5
187.03667	0.3
189.05222	16.2
190.05592	0.4
201.05186	0.4
202.06020	3.0
203.06773	1.1
205.04739	1.9
213.52423	0.2
215.06960	0.5
216.07570	6.6
217.04712	0.4
217.08353	1.0
218.05524	0.4
219.06284	2.1
229.08492	0.2
232.07098	1.5
233.07828	16.7
234.08598	10.2
234.11003	0.3
235.09160	0.7
247.09412	12.2
248.09734	0.6
261.11044	0.2
277.10379	0.5
378.22830	0.2
399.14166	4.7
399.19083	0.3
400.14655	0.4
411.14203	0.3
413.15680	14.5
414.16022	1.1
429.15314	2.5
430.15173	0.3
443.16846	0.7
444.17499	6.1
445.18372	1.2
457.18073	0.2
611.24457	1.2
625.70929	0.3
641.25616	100.0
642.25977	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	641.3803
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.8
57.07081	0.3
67.05492	1.2
69.07078	0.4
69.32280	0.6
69.32682	1.7
79.05495	0.9
81.07058	1.4
83.04985	0.3
88.13678	0.3
91.05479	0.8
93.07030	1.3
93.34042	0.3
95.08600	0.8
97.06557	0.3
97.10154	0.5
103.24982	0.3
105.07025	0.7
107.08588	0.7
109.10157	0.5
117.06991	0.3
117.68239	0.3
119.08599	0.8
121.10153	0.5
123.08074	0.3
125.09661	0.3
131.08575	0.4
133.10118	0.6
135.11708	0.6
145.10088	0.5
145.42085	0.3
161.13374	0.3
185.65994	0.3
187.03618	1.9
194.17514	0.3
207.34308	0.3
387.30533	0.3
477.33292	0.8
483.46277	0.3
597.39185	3.8
598.39801	0.6
641.38031	100.0
642.38379	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	641.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51919	0.6
67.05509	2.8
69.07069	1.7
69.09436	0.8
69.62221	3.0
70.06598	0.7
79.05501	1.9
81.07045	3.2
83.08620	1.1
91.05489	2.1
93.07065	2.2
95.08604	3.2
97.10220	0.7
98.22688	1.3
105.07030	1.3
107.08607	2.5
109.10195	1.2
111.08141	0.9
119.08571	1.4
119.31186	0.7
121.10175	2.0
123.08118	0.9
131.08614	0.8
131.43562	0.6
133.10194	1.1
135.11673	1.0
145.10144	0.8
147.11679	0.7
149.02390	0.9
157.10191	0.8
187.03723	0.9
256.26379	0.9
275.20206	1.0
292.85565	0.7
313.84430	0.8
390.00470	0.7
553.12860	0.7
627.57300	0.7
641.38092	100.0
642.38397	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	641.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38387	0.7
55.01878	1.1
55.05512	3.2
67.05505	6.9
69.07058	3.9
71.33982	1.2
75.46792	0.9
76.19975	0.9
79.05499	5.3
79.21704	0.8
81.07053	8.3
81.07417	0.7
83.05003	1.4
83.08632	3.1
91.05517	2.6
93.07039	5.7
95.04978	1.4
95.08596	6.2
96.99007	0.8
97.06577	0.9
97.10198	1.8
105.07076	3.7
107.08602	4.3
109.06550	1.0
109.10136	4.0
115.12213	0.8
117.07078	1.4
119.08601	2.1
121.10196	3.2
123.08124	1.4
123.11709	1.8
125.09663	1.9
131.08568	1.6
133.10188	1.6
135.08109	1.0
135.11768	1.5
137.09680	1.0
139.11261	1.2
143.08638	1.0
145.10089	1.9
147.11766	1.5
149.13298	1.0
149.54231	0.8
159.11752	1.4
163.14870	0.9
168.39700	0.8
171.07698	0.9
189.11203	1.3
261.22232	1.7
279.23099	1.4
284.29507	1.2
461.30200	1.6
597.39124	26.3
598.39294	4.7
641.38147	100.0
642.38306	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	641.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.3
55.01873	0.6
55.05510	1.4
57.07070	0.6
59.05032	0.2
67.05501	2.8
69.03412	0.3
69.07071	1.6
71.04984	0.4
73.78217	0.3
74.01342	0.2
79.05488	2.0
81.07056	3.0
83.04974	0.6
83.08621	1.0
85.06531	0.3
91.05479	1.4
93.07040	2.2
95.04968	0.6
95.08604	2.2
97.06526	0.5
97.10179	0.5
99.18940	0.2
105.07009	1.4
107.04967	0.5
107.08600	1.7
109.06517	0.5
109.10172	1.3
111.04381	0.3
117.06985	0.6
119.08596	1.3
121.10125	1.2
123.08038	0.5
123.11662	0.5
123.87256	0.2
125.09647	0.4
129.07004	0.2
131.08578	0.9
133.06488	0.4
133.10159	1.0
135.04408	0.3
135.08078	0.7
135.11723	0.9
137.06042	0.3
137.09653	1.0
139.11160	0.3
143.08580	0.5
145.10136	0.5
147.11760	0.7
147.81015	0.2
149.05951	0.2
149.09676	0.5
149.13211	0.4
151.03844	0.2
151.07520	0.4
151.11176	0.3
153.05434	0.4
153.09171	0.4
161.06042	0.2
161.13321	0.4
163.07526	0.5
165.09117	0.2
171.08037	0.2
171.11711	0.4
173.13232	0.3
175.14877	0.3
185.13391	0.3
187.03658	18.1
188.04004	0.6
193.08591	0.3
195.10144	0.3
201.16521	0.3
213.16530	0.3
215.96899	0.2
221.09161	0.2
235.13338	0.8
243.10323	0.3
261.11386	0.3
271.13641	0.2
275.12845	0.5
275.20032	0.9
277.21750	0.4
279.23032	0.5
289.18076	0.4
291.19595	0.3
299.16312	0.3
417.22745	0.3
477.33389	0.7
539.26807	0.3
543.36902	0.3
605.30768	0.4
623.31274	0.3
623.42242	0.6
641.38068	100.0
642.38428	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	642.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
59.64455	0.5
61.02929	0.6
67.05508	0.9
69.03416	1.4
70.63105	0.5
70.96755	1.4
78.04679	1.4
79.05483	6.0
81.03394	1.9
81.07040	0.9
85.02908	5.1
87.04436	0.7
91.05456	1.8
92.38167	0.5
93.07046	1.1
93.09531	0.5
94.04193	0.5
95.04962	2.8
97.02876	1.5
105.07038	1.3
107.04952	12.7
107.08514	0.6
115.05450	1.3
119.04907	0.8
121.02845	1.2
121.06478	1.7
122.03602	0.6
123.04424	4.1
124.05197	3.2
125.05991	1.3
127.03879	1.4
128.06218	1.3
129.07005	2.6
133.06445	1.2
137.05984	3.3
140.04654	0.9
141.06992	2.0
142.07788	1.2
143.08546	1.6
145.04979	1.3
145.06451	1.2
147.04448	1.1
149.05968	1.2
151.03917	1.2
152.04678	1.7
153.01845	0.9
153.06863	0.5
155.05960	0.6
155.07088	0.9
157.06522	1.2
161.06015	1.8
161.09616	1.6
162.07578	1.3
163.07544	0.9
167.07028	58.7
168.07388	1.5
170.07256	24.9
171.07942	2.2
173.05977	0.7
175.07515	0.8
177.05417	0.9
179.07048	2.7
180.08672	1.9
181.04967	3.8
181.08580	4.6
183.06497	0.7
185.09514	0.6
187.07504	1.0
188.08295	1.6
189.05223	0.5
189.09052	1.7
191.07004	0.6
193.08629	1.0
198.06758	8.6
199.07515	1.4
201.05493	0.8
203.10635	0.9
205.04810	0.9
206.09450	0.5
207.08162	0.8
215.06805	0.6
216.07799	14.9
217.08386	1.7
218.07285	0.6
219.08064	0.7
221.11681	2.0
231.10147	100.0
232.10539	4.7
233.09605	1.5
235.07513	2.1
247.07539	0.7
249.08907	0.5
249.11217	9.3
250.09895	1.5
253.08644	0.6
261.09113	2.7
262.09775	1.0
263.07001	3.3
263.10263	0.7
264.07474	0.7
265.12274	0.9
269.08017	0.7
277.08670	1.0
278.09393	7.2
279.10007	1.5
292.10745	0.8
293.11606	5.0
294.12177	0.6
295.09607	1.3
306.08591	0.8
307.09500	0.7
310.11911	0.9
315.08652	0.9
321.11246	9.6
322.11731	1.2
323.09088	0.8
325.14404	1.2
330.10938	1.6
339.12146	0.7
343.11658	0.9
353.13791	3.6
354.14264	0.6
370.14035	0.7
385.16434	38.7
386.16864	3.3
489.20758	0.6
492.19370	0.6
642.25879	4.9
643.24042	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.9
55.01865	1.4
55.05511	8.9
57.03429	2.6
57.07056	1.2
58.28954	0.7
61.02913	2.3
65.03933	1.9
67.05160	1.7
67.05501	21.0
68.05804	1.0
69.03402	1.7
69.07067	7.0
70.37081	2.9
71.04985	2.5
79.05491	18.1
80.05821	1.1
81.03387	1.9
81.07053	21.1
83.04989	2.1
83.08614	6.5
84.95634	0.8
84.96803	0.9
85.02903	1.9
85.06543	2.7
87.04426	0.9
90.78640	0.9
91.03926	1.5
91.05476	25.4
92.05801	1.2
93.07033	21.0
94.07375	1.0
95.04959	3.4
95.08601	15.4
97.02885	1.8
97.06518	3.7
97.10163	3.3
103.05489	1.0
105.07025	25.2
107.04948	3.3
107.08591	10.6
109.06512	3.7
109.10154	6.9
111.04403	1.1
111.08062	1.9
115.05500	1.1
117.07025	9.7
119.08574	15.5
121.06504	2.8
121.10137	7.9
123.04423	1.7
123.08041	2.4
123.11750	2.0
125.09616	1.6
129.06998	7.1
131.07643	0.6
131.08546	16.8
132.08865	1.4
133.06483	2.6
133.10120	10.2
135.04436	1.0
135.08052	2.5
135.11667	3.5
137.05983	4.3
137.09593	2.4
141.06973	2.4
143.08577	8.1
145.06502	1.5
145.10104	11.9
146.10493	0.9
147.08015	3.5
147.11661	3.6
149.06004	1.1
149.09602	2.1
149.13196	1.5
151.07506	1.7
151.11223	0.8
153.05464	1.0
153.09123	1.1
155.08524	4.8
157.10135	5.9
157.36487	0.8
159.08066	1.6
159.11691	6.2
161.09616	2.3
161.13237	1.8
163.07588	1.3
163.11177	1.6
165.06891	0.9
167.08501	1.3
169.10109	4.4
171.08046	1.0
171.11697	4.3
173.13284	3.0
175.07608	1.0
177.05559	1.2
181.10085	1.8
183.11710	2.3
185.13234	2.0
187.11176	1.0
187.14859	2.3
195.11713	2.2
197.13190	2.4
201.16396	1.9
205.12132	1.5
207.11766	1.0
209.13274	1.5
211.14713	1.5
219.13614	1.1
225.16309	1.2
227.10556	0.9
275.19934	1.4
278.84531	0.9
299.09207	1.2
299.12573	1.5
335.23352	1.1
343.26114	1.1
353.24600	4.5
354.24783	1.0
371.25830	7.0
373.87570	1.0
386.49789	1.0
389.26920	7.9
445.29465	100.0
446.29904	10.4
463.30490	29.9
464.30710	2.4
493.22379	1.2
544.37531	1.2
642.35547	3.5
642.46008	1.4
643.35510	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	642.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66210	0.9
53.03924	2.1
54.40401	1.0
55.01869	1.6
55.05513	6.0
57.03433	1.8
57.07050	1.3
58.59970	0.9
61.02920	2.2
67.05505	19.4
69.03421	2.7
69.07069	7.9
71.05007	1.4
71.32083	1.8
79.05488	18.5
80.05830	1.0
81.03431	2.2
81.07062	20.7
83.04990	2.5
83.08627	3.9
85.02921	2.6
85.06551	1.8
90.29343	1.0
91.05483	22.7
93.07044	18.3
95.04973	3.1
95.08607	15.7
97.02897	3.2
97.06538	3.4
97.10178	2.2
103.05501	1.4
105.07024	21.2
107.04984	2.5
107.08585	9.4
109.06518	2.8
109.10141	7.6
110.40654	0.9
111.08079	1.6
115.05424	1.3
116.06223	1.0
117.07011	9.1
119.08575	13.2
121.06564	2.1
121.10149	7.1
123.08067	2.2
125.09614	1.2
129.07021	7.1
131.08562	16.9
133.06526	1.9
133.10130	9.3
134.10616	1.0
135.04349	0.9
135.08058	2.3
135.11702	3.9
137.05968	1.8
137.09593	2.6
141.06989	2.3
143.08545	7.0
145.06522	1.5
145.10121	9.3
147.08031	2.2
147.11714	3.8
149.09657	2.3
149.13254	1.6
151.03960	1.2
155.05916	1.2
155.08575	3.1
157.10143	4.0
159.11728	4.8
161.13300	2.2
167.08580	1.1
169.10196	2.6
171.11691	5.1
173.09676	1.2
173.13260	2.4
177.05420	1.5
181.10132	1.3
183.11679	2.7
185.13319	2.9
187.14835	1.7
197.13284	2.0
199.14847	1.9
200.34354	1.0
209.13274	1.4
211.14809	1.6
247.16907	1.4
275.19891	1.1
277.21704	1.2
307.75613	1.1
335.23740	2.0
343.26370	1.3
353.24738	4.2
371.25742	5.3
381.72107	1.0
389.26563	5.0
445.29492	100.0
446.29926	10.3
463.30545	23.6
464.31003	1.7
493.22208	2.1
607.24164	1.2
642.36884	7.2
643.36139	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	642.4936
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.7
55.01871	3.1
55.05507	23.5
57.03429	3.8
57.07078	6.9
58.73292	1.3
59.04989	3.7
65.03931	4.6
67.05505	100.0
68.05831	2.9
69.03418	4.4
69.07066	22.6
69.91297	1.3
70.81625	2.1
70.81981	2.8
71.04994	6.0
71.08633	1.6
79.05490	30.5
81.07056	54.6
82.07403	1.8
83.04992	5.0
83.08619	16.6
84.59777	1.6
85.06541	6.3
87.61865	1.2
91.05477	25.0
92.05782	1.7
93.07041	31.5
93.07611	2.1
95.04958	4.0
95.08604	41.6
97.06511	8.2
97.10176	12.0
99.08074	1.7
103.59520	1.2
105.07025	17.1
106.07322	1.9
107.04947	3.6
107.08584	22.6
109.06514	3.2
109.10151	71.1
110.10495	1.4
111.08080	4.7
111.11690	1.9
117.07021	7.5
119.08577	15.5
121.06535	2.7
121.10137	21.5
123.08076	4.0
123.11710	9.0
125.09631	5.6
129.06894	1.8
131.08554	10.5
133.10147	13.4
135.08089	6.3
135.11685	13.7
137.09608	8.4
137.13269	2.6
139.11198	6.9
143.08562	2.3
145.10091	10.2
147.11681	6.7
149.09621	5.3
149.13264	5.1
151.11188	3.8
151.14818	1.6
153.09105	4.4
153.12762	2.2
155.10663	5.9
157.10136	2.0
157.12225	1.6
159.11694	8.0
161.09607	1.6
161.13264	6.4
163.11197	2.9
163.14847	3.2
165.05490	2.5
165.09177	2.2
169.05000	3.1
171.11652	2.9
173.11754	31.9
173.13239	5.7
175.11217	1.4
175.14793	3.2
177.16457	1.4
179.14238	1.7
187.14821	1.7
189.11172	2.8
191.14276	1.9
193.08640	2.9
197.13104	1.3
201.16385	1.5
211.09679	3.8
223.09604	1.6
225.11212	11.6
237.14694	1.9
241.19502	1.7
243.21083	5.7
259.20566	2.5
261.22147	14.7
262.22583	1.5
265.21606	1.4
275.20160	3.1
277.21701	1.8
279.23178	23.2
287.00098	1.4
291.19461	1.6
293.21057	3.2
295.22516	3.0
297.24313	11.1
311.22287	3.3
313.23700	1.7
399.32614	6.6
401.34131	1.4
413.19608	2.1
413.30460	2.8
415.32150	8.1
417.33551	10.5
431.31525	5.7
432.31827	1.6
433.33173	10.2
434.33661	1.7
435.34689	8.2
443.23849	1.7
453.35675	5.3
545.38049	2.1
571.43439	6.1
589.44580	9.7
607.45251	5.7
625.34973	3.1
643.34875	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	642.4937
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.2
55.01876	5.5
55.05513	38.9
55.74158	2.2
57.03441	5.4
57.07073	8.0
60.06107	1.8
65.03954	4.3
66.82939	2.1
67.05506	91.2
68.05836	2.5
69.03435	4.3
69.07067	33.1
71.04990	7.9
79.05492	58.5
81.07059	100.0
83.05003	7.9
83.08630	24.2
85.06560	11.6
91.05480	51.6
92.05820	2.7
92.75792	1.8
93.07045	62.6
94.07376	4.2
95.04971	7.6
95.08608	67.6
97.06537	9.9
97.10171	13.4
99.08091	4.4
105.07035	33.7
107.04935	3.8
107.08599	38.7
107.09246	1.6
109.06505	7.8
109.10149	42.0
111.08111	9.2
111.11722	2.8
117.07040	16.1
119.08582	30.2
121.06522	6.7
121.10143	35.8
123.08070	8.2
123.11700	14.2
125.06019	2.1
125.09650	7.5
129.07007	5.6
131.08571	27.9
131.82249	1.9
133.06494	2.6
133.10129	30.7
134.10583	2.3
135.08075	8.6
135.11682	31.7
136.73273	2.1
137.06006	3.3
137.09656	6.3
137.13254	4.6
139.07495	3.6
139.11205	8.2
143.08583	5.6
145.10110	26.2
146.10445	2.5
147.08089	3.9
147.11696	17.0
149.09613	18.4
149.13318	9.0
151.11153	12.2
153.05412	2.3
153.09106	7.9
155.08505	2.0
157.10150	5.8
159.08086	2.5
159.11688	19.1
161.09637	3.5
161.13271	11.8
162.13742	2.2
163.07570	1.9
163.11183	14.8
165.12764	3.6
166.31592	2.3
167.10689	7.2
169.04984	2.7
169.10123	4.1
171.11699	6.3
173.11786	5.3
173.13281	12.5
175.07658	3.2
175.11234	3.9
175.14842	4.1
177.12714	9.9
179.10678	2.4
179.14316	2.9
181.12314	2.5
183.11702	5.4
183.72917	2.1
187.14804	4.8
189.11209	4.9
189.12723	3.8
191.14313	2.7
195.13904	2.4
197.13284	3.2
201.12680	2.5
203.12747	2.2
205.16011	2.4
207.10124	3.0
208.17068	3.3
223.17033	2.8
225.11227	16.4
229.19530	3.4
239.17978	8.3
243.21132	4.5
245.11717	2.7
247.20470	3.0
251.16301	2.1
257.19089	11.2
259.20618	2.9
261.22174	12.8
262.22629	2.0
265.21509	3.7
273.18689	2.7
275.20071	51.3
276.20523	2.8
277.21640	4.1
279.23187	35.6
293.21039	32.7
297.24252	9.9
298.24481	2.7
311.22244	2.7
375.21716	4.9
399.32446	3.0
417.33420	4.0
433.33521	2.3
435.34711	2.5
535.41132	8.2
553.42676	22.5
571.43610	25.5
572.43689	4.2
589.44794	10.7
625.36737	8.1
643.42316	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	643.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63083	0.5
51.40178	0.5
53.03933	1.5
55.01853	0.7
64.42193	0.5
65.03943	3.7
67.05485	2.1
69.03410	1.2
69.04716	2.2
69.05152	3.6
78.04696	4.5
79.05476	1.9
81.03404	1.5
82.04181	0.8
85.02875	2.0
85.48495	0.5
89.03877	0.9
91.05469	3.6
93.03397	1.3
93.07019	1.0
95.04964	2.7
97.02886	0.9
97.06505	0.7
98.22495	1.1
98.47202	0.5
103.05476	4.1
105.03368	0.7
105.07001	0.9
106.04160	1.8
107.04965	3.7
109.06499	0.6
110.03659	1.4
111.04444	0.9
115.05459	5.0
117.03318	0.6
117.07014	7.5
119.04956	0.8
119.08559	0.8
121.02852	2.3
121.06523	3.1
123.04444	7.7
124.05196	2.5
125.05966	1.6
127.05410	1.3
131.04932	2.3
133.02814	0.7
135.04395	2.1
137.05978	4.7
138.03084	0.5
139.03914	0.6
140.04698	0.6
142.02625	1.5
143.04878	0.9
145.02820	0.8
145.06488	11.6
147.04370	1.5
147.08009	1.1
148.05128	0.7
149.06006	4.3
151.03900	5.4
151.07544	0.9
152.04675	2.3
153.01836	2.7
153.05443	2.0
155.06056	5.8
159.04414	0.9
160.05211	0.7
161.06000	1.2
163.07480	1.5
165.05482	1.5
167.07037	100.0
168.07381	3.5
171.06531	2.5
173.05992	22.3
174.06372	1.1
175.07538	1.3
176.04753	0.7
177.05476	5.2
179.07195	0.6
181.04950	47.5
182.05322	1.6
184.00861	0.6
189.05400	0.6
190.06122	0.7
191.07117	1.1
193.08598	0.7
195.06511	1.2
201.05511	0.9
203.07037	2.0
205.08553	5.2
207.06467	1.2
207.10078	0.8
209.08058	3.6
209.09747	0.6
233.06059	1.0
233.08035	4.9
234.06737	1.0
235.07431	0.7
235.09581	6.3
235.11662	0.7
237.09003	0.7
252.07858	0.7
262.51657	0.6
265.08676	1.3
293.07953	1.1
297.11133	1.0
299.08902	0.9
302.97610	0.6
310.08420	0.9
311.09180	0.8
325.10626	1.3
329.10245	0.9
353.10278	1.0
357.13251	6.4
359.14963	1.5
385.12793	34.4
386.13138	2.9
387.14340	5.3
417.15445	14.1
418.15692	1.3
613.22937	0.6
643.23914	36.7
644.24139	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	643.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.6
54.83645	0.9
55.01860	2.8
62.10454	0.8
65.03940	6.9
67.05482	2.2
69.03413	1.9
71.04953	1.1
71.32429	0.8
71.32941	1.2
71.38477	0.9
71.80777	0.7
77.03903	0.9
78.04703	2.0
79.05495	5.9
81.03411	4.0
81.07036	1.5
82.04195	2.1
85.02911	5.1
86.09709	0.9
91.05485	7.6
93.03428	1.1
93.07037	1.9
95.04956	4.1
97.06511	2.2
102.04662	0.8
103.05460	17.5
103.13078	0.9
105.03386	3.3
105.07036	7.9
106.04166	1.5
107.04954	9.1
109.06518	2.6
110.03647	3.7
111.04441	1.8
111.08057	0.9
113.06023	1.1
115.05440	6.9
116.06231	1.0
117.07005	5.3
118.04137	4.2
119.04912	3.2
119.08541	2.6
120.05743	1.0
121.02823	1.5
121.06501	2.1
121.10133	1.3
122.03635	1.1
123.04442	7.4
123.08048	0.9
124.05184	2.3
125.06013	5.1
128.06259	1.2
129.06998	1.4
130.04135	1.8
131.04916	16.9
131.08571	1.1
133.02853	4.8
133.06476	8.1
134.03615	1.6
135.04417	1.1
135.08044	1.6
137.05983	8.8
138.03093	2.2
142.02611	2.7
143.04961	1.7
144.05666	2.7
145.06471	8.6
146.03589	1.7
147.04407	1.7
147.07986	1.8
148.05196	10.0
149.02290	1.0
149.05943	2.5
151.03944	4.2
151.04901	0.8
151.07526	3.2
153.05470	7.1
155.05945	1.6
155.07033	2.2
159.04317	1.0
159.07977	2.3
161.05980	8.7
163.03999	0.9
163.07547	20.2
165.05518	7.5
167.07028	68.4
168.07407	2.5
171.06483	2.8
173.05983	10.2
175.07553	4.0
176.04654	2.2
177.05412	2.8
179.07005	1.9
180.07771	1.6
181.04945	100.0
182.05341	2.6
183.06479	0.9
187.07474	4.0
190.06323	1.4
191.07021	81.6
192.07381	3.6
193.04953	4.9
193.08583	3.0
195.06516	3.7
197.08034	1.4
201.05464	2.2
203.06970	3.5
205.08499	4.6
207.06480	3.6
207.10135	2.8
208.07289	3.0
209.08043	2.9
217.08607	3.8
219.08284	1.4
219.10114	6.6
221.07977	1.9
225.05521	1.7
225.07553	12.1
226.08282	2.5
231.06503	1.2
233.08072	7.7
234.08566	1.1
235.07666	1.5
235.09648	7.0
236.08122	1.1
237.05521	1.0
239.06978	0.9
241.08356	0.9
245.08081	1.2
253.08633	1.0
257.08008	1.0
258.98300	1.1
263.06604	1.6
263.09161	15.5
264.09625	1.0
265.08572	1.2
267.10129	2.4
279.06604	0.8
279.09875	0.9
289.10654	0.9
297.11075	2.3
309.11313	0.9
315.08420	0.9
324.09988	1.1
325.10681	5.1
327.12225	1.4
329.10388	1.5
337.10779	1.7
339.12262	1.6
355.11646	1.6
357.13318	4.6
367.11557	2.4
381.13004	1.6
385.12689	9.0
387.14200	3.3
389.15894	1.0
399.14581	1.8
417.15387	15.8
418.15656	1.9
423.02963	0.9
611.24927	1.3
642.45227	2.5
643.25360	3.7
643.46014	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.1
55.05509	1.9
57.07083	0.6
67.05500	4.0
69.03431	0.4
69.07066	2.0
69.16662	3.7
71.04977	0.7
79.05493	3.1
81.03418	0.5
81.07056	4.2
83.04990	0.6
83.08620	0.9
85.06519	0.7
91.05474	2.8
93.07047	3.3
95.04979	1.4
95.08603	4.1
97.06535	0.7
97.10172	1.2
98.23395	0.6
105.07063	2.0
107.04985	0.4
107.08581	2.6
109.06553	0.5
109.10177	1.9
111.08077	0.5
115.03902	1.1
117.06998	0.7
119.08569	2.4
121.06493	0.6
121.10149	1.9
123.08080	1.0
123.11681	1.0
125.02353	1.2
125.05903	0.5
125.09652	0.7
129.07019	0.6
131.08562	0.9
133.10136	1.6
135.08028	0.8
135.11693	1.3
137.09624	1.4
139.11153	0.5
143.08536	0.8
143.36986	0.4
145.10120	1.0
146.38539	0.4
147.08101	0.5
147.11662	0.8
149.09593	1.2
151.03835	0.4
151.11227	0.9
157.05006	1.2
159.11650	1.1
161.13312	0.5
163.07486	0.5
173.13258	0.5
181.08621	0.5
187.14908	0.7
206.10945	0.5
209.08098	0.5
267.16010	0.7
275.20071	0.7
279.23019	0.9
293.21155	0.4
299.09106	1.2
396.12482	0.7
397.12811	1.9
398.13791	0.6
399.14551	1.0
409.12976	1.0
410.13794	2.5
411.14484	5.8
412.15158	4.0
413.15814	1.8
423.14603	1.4
424.10651	0.8
424.16241	2.5
425.16235	10.2
426.11591	0.6
426.16861	8.9
427.17163	2.2
428.18390	1.3
437.16318	0.8
438.13251	2.8
438.17654	1.2
439.13565	13.0
440.14102	2.0
440.18552	3.0
441.19299	32.8
442.19647	5.1
452.14252	4.2
453.15317	15.3
454.15921	5.4
455.20874	0.9
457.15356	0.7
463.13901	0.8
466.16400	0.5
467.17133	24.4
468.17786	17.9
469.18707	14.6
470.18805	1.9
471.16623	1.2
472.17459	0.5
480.17844	0.7
481.14816	15.9
482.15289	4.6
483.15860	0.6
495.16217	2.8
496.17105	14.1
497.17862	3.3
498.19141	1.1
500.20221	0.7
508.17740	0.5
509.18628	2.0
512.20551	1.1
514.21729	1.6
523.19470	1.4
524.20483	0.7
527.22498	1.6
528.23090	0.6
537.18811	0.5
540.19690	0.7
542.21600	1.1
555.22375	24.6
556.22754	4.3
558.20862	0.5
583.21887	100.0
584.22174	19.1
587.24969	1.4
611.20807	1.9
614.22943	0.7
615.24414	9.6
616.24640	1.7
625.44434	0.6
643.24066	51.1
643.34467	8.3
644.24097	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	643.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.2
55.01880	2.1
55.05505	2.2
64.96499	1.4
65.03934	3.6
67.05505	5.4
69.03432	1.7
69.07054	3.1
71.04993	1.4
79.05487	4.5
81.03413	2.2
81.07056	7.6
83.04977	2.3
85.02905	1.3
86.09692	3.7
89.03941	2.1
91.05473	8.3
92.05012	2.1
93.03409	1.5
93.05817	1.6
93.07043	8.2
93.08315	1.2
94.06564	7.2
95.04981	4.3
95.07348	3.4
95.08605	4.8
96.08126	10.1
97.06522	2.3
98.23347	4.4
103.05456	4.6
105.07025	5.6
106.06551	2.3
107.04948	2.5
107.08603	5.2
108.04484	3.6
108.08124	11.9
109.02874	2.0
109.06528	1.4
109.10163	3.8
110.09673	11.2
111.04417	1.9
116.04975	4.2
117.07011	1.7
119.04949	2.8
119.08565	3.6
119.26373	1.3
120.04493	4.5
120.08090	9.5
121.06490	2.6
121.10143	3.7
122.06042	4.5
123.04406	2.9
123.11681	1.7
124.07587	8.4
125.00015	2.2
125.06001	1.7
125.09639	1.9
127.03911	1.9
129.06999	2.2
131.04933	2.9
131.08554	2.7
133.06487	1.3
133.10165	3.6
134.05983	2.7
135.04433	1.6
135.11737	2.6
136.07574	13.4
137.05978	9.7
138.09151	13.2
141.07008	1.2
143.08456	1.5
143.10724	1.7
144.04482	7.2
145.06444	2.2
145.10083	2.5
146.05983	5.9
147.11649	2.4
148.07568	3.4
149.06000	4.1
151.03917	12.3
151.07533	5.0
152.07076	2.5
153.01819	1.7
156.21500	1.2
160.03969	2.6
161.05965	3.1
162.05518	4.4
163.07521	3.3
163.11238	2.0
164.07118	3.1
165.05518	2.9
166.08647	14.4
167.07095	3.7
172.03938	28.7
174.05426	2.6
176.07079	3.5
177.05478	2.9
181.04916	2.2
184.07335	8.9
189.05450	1.3
190.04982	20.7
191.05461	1.2
191.07042	1.6
193.08589	1.6
197.10826	1.9
199.08704	1.4
199.12367	2.5
204.06567	48.7
205.06848	2.7
211.08684	4.4
212.09358	2.4
219.06438	1.5
224.09492	2.9
225.10191	13.8
226.10649	1.4
227.11713	13.5
229.49742	1.5
236.09419	2.3
237.10182	5.8
238.11063	2.4
239.11794	5.3
241.09772	2.1
251.08258	1.7
251.11835	3.7
252.09068	1.7
253.09700	7.4
255.11252	1.6
264.08902	3.9
265.09573	1.5
267.11182	2.8
269.12857	16.7
271.10785	9.0
273.12357	8.8
277.09677	2.0
279.11252	4.2
283.10840	7.4
284.11551	5.7
285.12381	7.3
286.13083	1.4
287.13882	19.1
297.12323	9.4
299.09042	3.8
299.14032	6.3
300.11523	1.6
307.10452	1.7
311.09125	1.4
313.11984	3.6
314.13181	3.3
315.08618	6.7
316.14429	2.7
323.10345	10.8
325.11816	27.7
326.12189	4.6
326.16516	2.5
327.13211	4.6
327.17065	1.7
328.10822	5.8
328.14383	3.5
329.15164	2.0
330.12344	2.2
330.16025	3.0
331.17093	1.7
339.12796	1.6
340.14667	1.6
342.12207	8.7
343.12900	8.8
344.13675	2.0
354.12460	2.2
354.16397	1.6
355.13318	3.3
356.13968	8.3
357.14432	10.6
358.15433	5.0
365.11478	1.5
366.16064	1.4
370.15451	5.3
371.16190	3.6
378.18301	1.4
382.11838	5.2
383.12469	5.0
384.13425	4.5
385.14026	3.6
386.14529	2.5
386.18933	3.2
390.18060	5.1
397.14780	2.3
398.14929	19.0
399.15729	32.9
400.16394	4.0
402.18338	1.6
404.16116	7.4
411.90219	1.3
412.16495	1.8
414.18164	4.8
416.16098	21.1
417.16153	2.3
422.16861	2.3
428.16129	2.6
430.17703	2.6
440.16003	5.6
446.17111	21.7
447.17508	1.6
458.17120	47.9
459.17358	5.5
460.18774	1.5
478.19437	2.1
490.19504	10.6
565.24097	2.4
567.25800	4.1
569.24146	9.1
570.24530	1.9
583.25470	4.6
593.23901	9.9
611.25006	100.0
612.25336	17.8
643.29968	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	643.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.8
53.97363	1.0
55.01878	2.4
55.05514	3.0
65.03938	2.9
67.05504	4.7
68.05053	1.1
69.03432	3.8
69.07071	1.7
69.13651	9.5
71.05010	1.1
79.05496	6.0
81.03425	4.7
81.07050	4.7
82.06554	1.9
83.04984	1.6
85.02881	2.8
89.03951	1.5
91.05469	6.8
92.05005	1.9
93.05792	1.2
93.07056	9.1
94.06557	6.7
95.04984	3.3
95.07356	5.5
95.08617	2.9
96.08139	9.3
97.02878	1.8
97.06551	2.9
97.10173	1.4
98.23416	1.1
103.05463	4.3
105.03388	2.2
105.07042	5.8
106.06554	2.3
107.04972	4.6
107.08602	2.5
108.04503	4.7
108.08122	12.2
109.02901	1.4
109.06530	1.3
109.10171	2.2
110.09673	15.9
111.04459	1.8
115.05430	1.3
116.04980	3.9
117.07045	1.9
118.06557	1.2
119.04914	1.7
119.08564	1.8
120.04475	5.8
120.08105	10.4
121.02861	1.5
121.06526	5.4
121.10116	2.5
122.03619	1.4
122.06069	5.7
123.04430	3.6
124.07587	9.6
126.81545	1.1
127.03923	2.9
129.06975	2.5
131.04932	4.0
131.08600	1.6
133.06505	3.1
133.10188	1.1
134.05989	4.9
135.04408	1.7
135.08105	1.8
136.07590	10.7
137.05974	18.3
137.09647	1.5
138.05510	1.7
138.09137	14.5
144.04449	6.4
144.05617	1.3
145.06519	2.5
145.10124	3.3
146.05992	7.8
147.04388	1.4
147.08044	1.8
148.07584	4.8
149.05974	4.4
150.05508	1.4
151.03934	9.0
151.04970	1.8
151.07553	4.4
152.07072	2.8
157.10115	1.2
160.03951	4.1
161.05968	24.8
162.05490	4.6
163.03922	1.2
163.07538	5.6
163.11238	1.5
164.07050	3.3
164.08386	4.3
165.05515	1.7
165.09131	3.5
166.08626	17.2
167.07077	10.2
167.08423	2.0
172.03932	29.2
172.07634	1.6
173.05862	1.3
173.09613	2.4
173.18683	1.1
174.05540	1.8
175.07541	7.5
176.07100	3.4
177.05495	3.9
179.07074	1.6
179.08569	1.7
181.04961	5.1
182.09695	1.1
189.09102	1.5
190.04977	23.1
191.05428	1.6
191.06975	7.2
193.08707	1.2
196.09898	2.2
197.10757	3.8
199.08632	2.0
199.12358	2.8
203.07014	17.4
204.06555	42.9
205.06842	2.3
205.08632	1.3
205.12170	7.5
209.10744	1.9
210.09421	1.2
211.08696	6.2
211.12521	1.0
212.09480	3.4
213.10278	1.6
219.10028	1.1
219.84291	1.0
223.08635	1.6
224.09398	2.3
225.10271	12.4
226.10953	1.5
227.11778	18.8
235.07492	1.2
236.09401	2.8
237.10217	5.2
238.11011	2.7
239.11778	4.8
241.09689	2.0
241.13275	2.0
249.10208	2.9
250.10974	1.4
251.11693	3.9
253.09715	6.3
255.11337	1.8
263.08212	1.3
263.11575	2.9
264.09024	3.8
265.09717	2.4
267.11115	2.5
269.12842	22.1
270.13055	1.4
271.10760	10.6
273.12372	10.7
277.09604	1.5
279.11319	4.6
281.12515	1.6
283.10522	6.5
284.11517	5.3
285.11899	9.1
286.13248	2.0
287.13925	21.9
289.09729	1.2
289.13242	1.2
291.10339	2.1
293.09067	1.6
295.10785	3.4
297.12384	10.8
299.14124	6.3
302.12759	1.1
307.10489	2.0
309.11240	3.6
311.14243	1.6
312.15137	1.4
313.12250	3.8
314.12851	4.0
315.13632	2.1
316.14658	2.4
317.15021	1.8
319.10498	1.2
321.12134	1.4
323.09915	6.3
324.10916	1.2
325.11679	31.7
326.12457	3.3
326.16428	2.5
327.12265	21.7
327.16544	1.5
328.10822	5.6
328.14484	3.4
329.11517	1.8
329.15137	1.6
330.16049	2.7
331.16470	1.3
338.12601	1.3
339.13629	1.8
341.11761	3.4
342.12320	11.1
342.16000	1.6
343.12943	10.3
344.13635	2.6
344.17529	1.5
345.13391	1.2
351.12283	3.0
352.14566	1.9
354.12241	1.4
355.13028	1.9
356.13989	7.8
357.14597	9.3
358.15576	5.8
359.15845	1.1
365.11703	2.2
369.16092	1.3
370.15808	6.7
371.16064	3.4
378.18073	1.6
380.14026	2.5
381.12213	1.7
382.12054	5.3
383.12497	3.8
384.13220	4.4
385.13739	2.9
386.14679	2.6
386.18964	2.2
387.14880	1.2
388.16791	1.3
390.18005	3.3
394.15509	1.9
397.14850	1.2
398.14996	25.1
399.15750	28.9
400.16513	6.0
401.13593	1.2
404.16144	6.6
412.16675	3.4
414.18408	5.9
416.16037	20.3
417.15872	4.1
422.16739	3.4
428.15894	3.5
429.16754	1.2
430.17438	3.0
435.14502	2.9
440.16006	6.8
441.14658	3.1
446.17093	27.7
447.17896	9.4
448.18500	2.3
453.15457	3.8
458.17090	62.3
459.17380	7.3
460.18686	1.5
465.19089	1.4
471.16324	4.0
478.19360	1.7
488.18207	1.3
489.17630	2.6
490.19592	9.3
491.20242	1.4
520.20703	3.0
565.24304	2.8
567.25922	3.0
569.23914	10.7
570.25366	1.2
583.25195	3.4
593.24023	13.7
594.23700	2.3
611.24969	100.0
612.25305	14.5
626.24677	6.6
643.34265	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	644.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49441	0.2
53.03940	1.0
55.01871	2.4
57.03428	1.1
57.03669	0.2
57.47466	0.2
58.03724	0.3
61.02930	2.5
65.03911	0.3
69.03069	0.3
69.03432	6.6
69.82236	1.3
71.04982	0.7
73.02901	0.8
79.05495	1.7
81.03410	2.6
81.07043	0.3
83.01333	0.3
84.76497	0.3
85.02906	21.0
87.04462	1.1
91.03954	1.1
91.05473	1.4
93.03394	0.3
94.04176	0.5
95.04972	0.6
97.02893	8.4
99.04455	1.2
101.02371	0.4
103.05472	2.7
105.07028	6.2
107.04951	1.0
109.02879	2.2
109.06501	0.8
115.04060	0.3
115.05457	7.1
116.05740	0.3
117.07022	0.9
121.06481	0.8
122.03683	0.4
123.04425	0.8
127.03922	4.8
131.04893	2.2
133.06487	3.8
135.04419	0.7
135.08014	0.6
137.05974	13.4
143.03394	0.7
143.04897	1.6
144.06583	0.3
145.04959	4.2
145.06439	0.7
148.05179	0.5
149.05986	2.3
151.03918	6.8
151.05043	0.4
151.07542	0.3
153.05481	0.7
153.06703	0.3
160.05321	0.3
161.05978	31.7
162.06342	1.8
163.06007	0.8
163.07533	3.4
164.08372	0.7
165.09026	0.3
169.10139	0.4
175.07555	0.9
178.07784	0.5
179.07103	0.4
179.08543	3.3
181.04990	0.3
181.06485	0.7
182.07283	0.7
189.06934	0.3
193.10124	0.4
195.08139	0.4
196.08823	1.1
197.09599	1.1
199.07507	0.3
207.08041	4.2
210.06831	0.4
211.07556	0.9
211.11133	0.3
221.09595	0.3
224.08337	2.8
225.09059	3.2
226.09630	0.3
227.07008	0.4
235.07516	8.9
236.08012	0.8
239.10672	4.9
242.09381	0.3
249.06610	0.3
249.09157	0.8
252.07898	1.8
253.08557	2.4
254.09106	0.4
256.07166	0.3
257.11758	1.0
267.10147	11.4
268.10529	0.9
270.08899	1.4
270.15207	0.3
273.11301	0.6
278.93011	0.3
285.11206	100.0
286.11557	7.5
287.12823	3.5
303.12271	4.7
304.12561	0.4
327.12265	0.6
447.16498	12.0
448.16852	1.1
482.13531	0.3
598.17432	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13478	0.2
52.49440	0.3
53.03942	0.9
55.01878	2.6
57.03434	1.5
59.05002	0.2
61.02688	0.2
61.02929	2.4
67.01857	0.5
67.05487	0.2
69.03429	6.9
69.81541	0.4
69.81937	0.6
71.04973	0.4
73.02913	1.1
79.05493	1.9
81.03416	2.6
81.07045	0.3
83.01341	0.3
83.04967	0.4
85.02904	20.9
85.80247	0.2
86.03220	0.3
87.04464	0.6
91.03934	0.7
91.05475	1.4
93.03397	0.6
94.04182	0.3
95.04966	0.6
97.02893	8.6
98.23225	0.3
99.04453	1.2
101.02370	0.3
103.05460	2.7
105.06350	0.4
105.07024	6.2
106.07350	0.2
107.04937	0.9
109.02878	2.0
109.06544	0.5
115.03947	0.4
115.05447	7.4
116.05769	0.3
117.07032	1.1
121.02906	0.3
121.06514	0.5
122.03632	0.5
123.04445	1.2
124.66158	0.2
127.03909	4.2
127.07655	0.2
131.04913	2.0
133.06490	4.1
134.06819	0.3
135.04401	0.9
135.08022	0.5
137.05971	15.0
138.06267	0.6
143.03418	0.5
143.04889	1.9
144.06563	0.2
145.04964	3.9
145.06467	0.8
147.04359	0.3
148.05130	0.4
149.05995	2.3
150.06750	0.4
151.03911	7.0
151.04965	0.3
151.07530	0.4
152.04257	0.3
153.01886	0.3
153.05460	0.4
153.06813	0.2
157.06444	0.2
160.05206	0.3
161.05975	33.3
162.06293	1.5
163.06027	0.6
163.07538	3.0
164.08296	0.7
165.06897	0.2
165.09116	0.3
169.06438	0.3
169.10115	0.3
174.06607	0.2
175.07523	0.9
178.07777	0.7
179.08531	3.0
180.08929	0.3
181.06429	0.5
181.10167	0.2
182.07214	0.3
183.08043	0.4
189.48175	0.2
193.10161	0.3
193.12267	0.4
195.08005	0.6
196.08846	1.3
197.06038	0.3
197.09602	0.9
199.07550	0.3
207.08057	4.1
208.08519	0.4
209.09659	0.4
210.06682	0.6
211.07521	0.8
211.11241	0.4
213.08995	0.3
221.09583	0.5
223.07521	0.3
224.08313	3.5
225.09082	3.8
226.09627	0.4
227.06978	0.3
228.07870	0.2
235.07530	10.1
236.07999	0.6
237.09077	0.3
239.10669	5.3
240.11023	0.5
241.04971	0.3
241.08667	0.4
242.09308	0.4
243.10167	0.5
249.09074	0.9
252.07849	2.2
253.08582	3.2
254.09232	0.4
255.06563	0.3
257.11743	1.1
267.10165	12.1
268.10486	0.8
270.08813	1.1
273.11166	0.7
285.11200	100.0
286.11560	7.5
287.12799	4.0
288.13168	0.4
303.12247	4.8
327.12250	0.7
411.14291	0.2
429.15891	0.3
447.16489	11.6
448.16959	1.1
550.45190	0.2
593.07697	0.2
636.69440	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
55.01868	1.6
56.78230	0.9
57.03440	0.7
61.02919	1.1
65.03946	1.8
67.05488	1.1
69.03426	5.5
69.07059	1.1
73.02915	1.1
79.05469	4.2
81.03419	2.7
81.07053	4.8
85.02904	8.8
91.03948	0.8
91.05476	11.2
93.07042	1.7
94.04205	1.7
95.04969	2.7
95.08588	1.1
95.60621	0.6
97.02874	3.0
98.23383	1.2
99.04468	1.0
103.05465	12.0
105.04522	0.6
105.07036	7.1
107.04979	3.3
107.08582	2.7
109.02882	1.9
109.06511	4.9
109.10157	2.0
115.05456	7.7
117.07020	6.2
119.04934	5.0
119.08569	1.3
121.02888	0.9
121.06514	6.1
121.10149	1.2
122.03643	3.1
123.04447	5.5
123.11714	0.9
127.03922	1.9
128.06236	0.9
129.06989	1.0
131.04916	8.7
131.08585	1.0
133.06506	4.7
133.10130	0.7
135.04424	1.8
135.08052	10.2
135.11638	0.6
137.05971	69.3
138.06325	2.4
138.88997	0.6
141.22531	0.6
143.04926	4.6
145.05040	0.6
145.05400	0.9
145.06450	6.6
146.03606	1.0
147.04420	2.6
148.05185	1.5
149.05977	15.3
151.03886	2.4
151.07535	16.1
153.05505	1.8
153.06970	1.5
157.06500	1.6
159.08089	0.7
160.05211	1.2
161.05977	23.1
162.06586	1.2
163.07535	24.5
164.08005	1.1
165.06979	0.7
165.09135	2.8
167.07042	2.7
167.08427	1.1
171.08055	1.1
173.05995	0.8
175.07533	8.3
177.05482	1.4
177.09145	2.8
179.07047	1.8
179.08562	1.6
181.06473	1.4
183.08087	0.9
187.07558	1.0
188.08235	0.9
189.07230	0.5
189.09116	2.2
191.07062	0.7
194.27530	0.6
195.08093	2.6
197.06119	0.7
197.09653	0.7
199.07576	2.0
201.09087	1.1
202.07794	1.0
203.08487	1.4
205.06511	1.8
207.08115	1.4
209.05986	0.8
209.09674	1.2
211.07539	3.4
212.08156	0.9
213.09100	1.8
217.10214	1.0
219.07997	2.1
220.08887	0.9
221.05933	0.9
223.07530	3.5
224.08160	1.0
225.09143	2.4
227.06996	0.9
231.08093	1.5
233.06198	0.8
233.09630	1.1
234.06876	1.2
234.10605	0.8
235.07535	3.0
235.11218	1.0
236.08192	1.1
237.09099	2.7
239.07030	1.7
239.10654	1.3
240.07773	1.0
241.08623	2.6
243.10178	1.3
245.09592	3.1
246.06921	0.7
247.07591	1.6
248.08258	2.8
249.09125	2.8
250.06050	0.7
251.07008	5.5
251.10753	0.8
252.07756	1.8
253.08597	2.2
254.09290	0.9
255.10216	1.4
257.07977	0.7
259.09808	0.8
261.09091	2.3
262.09882	2.3
263.06985	0.9
263.10663	4.1
264.07886	1.1
265.08649	4.8
266.09348	2.2
267.06500	0.7
267.10178	3.0
269.08044	4.7
270.08884	1.2
271.06708	0.9
271.09439	3.1
273.09073	2.4
275.07159	1.1
276.07898	1.5
277.08676	4.3
277.12173	2.3
278.09201	1.1
279.06912	0.8
279.10193	2.7
280.07367	0.8
281.08408	1.3
281.11618	0.9
282.08835	1.5
283.09662	11.3
284.10400	7.4
285.11072	4.7
286.11838	1.6
290.09430	2.1
291.10144	7.2
292.10797	1.7
293.08041	3.0
293.11450	1.3
294.08795	2.8
295.09647	4.6
295.13297	1.7
296.10513	0.8
297.11267	4.6
298.11990	6.0
299.12869	3.9
305.11743	4.6
307.09659	1.2
308.10471	6.2
309.11127	9.0
310.11984	2.8
311.13071	3.1
312.13586	0.9
313.17953	0.7
322.11942	0.8
323.12787	14.9
324.13397	4.1
337.14420	0.9
339.10226	0.7
354.12460	1.1
355.13486	0.8
369.14740	0.7
370.80670	0.6
371.12653	0.7
372.13565	0.7
383.12686	1.3
387.15485	0.7
398.15402	0.9
400.12982	1.9
401.17538	0.7
414.14600	0.7
415.15344	5.5
416.15903	0.9
429.16925	1.6
432.15552	1.6
435.18021	1.1
447.18011	100.0
448.18344	11.1
465.19067	26.3
466.19614	3.2
591.73627	0.7
613.26965	0.7
644.35339	0.8
645.38458	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.27
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.0
55.05508	1.1
61.93310	0.8
69.03420	1.3
69.07063	1.3
71.32426	1.0
79.05494	3.4
81.03422	1.2
81.07067	2.9
83.04996	1.5
85.02901	1.0
91.05479	10.6
93.07042	3.4
94.04208	1.2
95.04942	2.5
95.08612	2.1
97.02893	1.6
97.10178	1.3
100.03810	1.0
103.05447	6.6
105.07041	6.4
107.05000	1.7
107.08602	2.8
109.06530	2.0
109.10199	1.7
115.05470	3.2
117.07055	1.9
119.04940	6.9
119.08547	1.5
121.06498	2.4
121.10146	3.5
122.03687	3.0
123.04483	2.0
127.03950	1.4
128.06248	2.3
129.06950	1.4
131.04950	5.4
131.08504	1.3
132.05162	1.2
133.06499	2.7
133.10178	1.6
135.08076	1.7
135.11690	1.2
137.05984	45.9
138.06367	2.5
139.03912	1.4
143.04958	1.6
143.08662	1.2
145.06511	2.6
145.10133	1.2
149.05988	9.6
149.09651	3.1
151.03951	3.0
151.07536	20.2
159.08047	1.3
159.11760	1.3
161.05942	2.1
163.07597	5.1
163.11205	1.7
165.05518	1.4
165.09119	12.5
167.07065	3.4
167.08586	1.0
171.08086	6.2
173.06055	1.5
175.07524	6.5
177.05499	1.5
181.06458	1.3
185.02734	1.6
187.07544	2.8
189.09097	2.1
191.07028	1.2
195.08017	5.0
197.06024	1.2
197.43736	1.1
199.07567	5.3
201.09160	1.3
205.06558	1.8
205.12074	1.3
209.09698	1.3
217.10242	1.4
219.08214	1.7
219.10208	2.9
220.10899	2.3
223.07495	8.3
233.06007	1.5
235.11275	2.1
237.09116	2.4
239.07172	1.2
240.07855	3.5
245.09625	3.2
247.07590	1.1
248.08466	2.5
249.08943	2.3
251.07016	8.1
252.07697	1.3
255.10205	4.2
262.09970	2.8
263.10706	3.2
265.08673	4.2
268.07385	5.7
273.09152	3.0
276.07617	1.1
277.12296	3.9
280.10980	2.5
283.09650	48.5
284.10275	4.1
290.09326	2.6
291.10181	7.6
292.10651	1.4
293.08151	2.8
295.13257	10.7
305.11661	9.4
308.10388	6.0
309.11008	1.6
323.12772	46.0
324.13196	4.1
327.12299	2.1
341.10339	1.9
341.13959	2.5
378.75363	0.9
397.14517	1.0
400.13107	1.2
419.18884	1.3
429.17096	2.3
447.18036	100.0
448.18463	13.2
465.19214	3.3
644.35950	3.3
645.36755	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	644.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.6
55.05511	2.5
55.17154	0.8
57.03449	1.7
60.08135	0.8
65.03941	4.5
67.05491	2.2
69.03435	4.4
69.07057	2.6
69.54171	4.5
71.01383	0.7
71.05013	1.7
79.05486	2.6
81.03420	11.0
81.07074	4.7
81.89630	0.8
85.02901	4.9
86.09703	3.8
86.37704	0.8
91.05477	7.5
93.07043	5.1
95.04967	7.0
95.08591	2.8
97.02897	7.1
97.06553	1.4
99.04442	1.8
103.05482	1.8
105.07031	6.5
105.57919	0.8
107.04961	2.2
107.08604	2.6
109.02863	4.3
109.06533	1.1
109.10153	2.0
110.10489	0.7
111.04451	3.5
115.05448	1.6
117.07069	1.8
119.04942	4.1
119.08569	1.9
121.02868	100.0
121.06476	1.6
121.10123	3.7
122.03239	2.8
123.04430	2.2
123.11668	0.9
125.00010	2.9
125.05997	2.2
127.03907	3.6
128.06306	0.9
129.07024	0.7
131.04932	1.5
131.08534	1.7
133.06491	3.0
133.10117	2.1
135.08040	1.1
135.11694	0.9
137.05977	33.8
138.06337	1.0
139.03908	17.6
139.11093	0.8
143.08580	3.5
145.04941	1.3
145.06517	2.4
145.10066	1.9
147.11699	1.0
148.05161	1.0
149.05981	1.9
151.03900	5.9
151.04947	0.8
151.07552	26.0
152.07912	1.4
153.01836	4.5
153.05438	5.1
155.08612	0.8
159.08054	1.0
161.06009	3.8
161.09575	1.9
162.06688	1.4
163.07556	3.7
164.08037	1.1
165.09094	8.8
167.07042	2.2
169.12129	0.7
171.08067	2.9
171.11655	0.8
172.08701	1.2
173.13255	1.7
175.07571	0.9
175.14871	0.8
177.05511	0.9
177.09103	0.9
181.03252	1.2
181.08498	0.9
182.03963	1.9
184.07349	13.6
188.08319	5.0
189.09064	1.5
191.10641	1.1
193.08667	1.3
201.09143	1.1
203.07004	0.9
203.08752	1.2
203.10674	24.8
204.06657	0.9
204.10925	1.4
221.11705	6.4
225.05690	1.5
254.09708	1.0
257.07993	1.2
265.07022	10.3
269.08191	1.6
271.06281	3.8
271.09348	1.1
280.31320	0.8
283.08020	6.8
295.09570	2.2
299.09186	1.6
308.14090	0.9
309.11090	1.0
311.09140	0.9
316.09131	1.1
326.12384	0.9
327.15918	21.9
328.16333	1.3
345.16949	3.1
358.14655	0.8
370.33374	0.7
399.15128	1.3
400.15805	0.9
429.17004	0.9
447.17960	5.6
448.17807	1.1
459.17404	1.4
465.19321	4.9
489.20667	0.9
497.87515	0.9
508.07776	1.0
612.25623	3.8
626.22308	0.9
626.34979	0.8
644.21094	2.0
644.34052	2.8
644.37311	2.9
645.39471	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
65.17875	1.9
69.03442	1.7
69.04128	18.1
79.05496	4.4
81.03401	2.0
85.02901	4.9
91.05466	8.7
93.07030	4.7
95.04957	5.3
97.02935	2.0
101.22888	1.6
103.05460	3.3
105.07032	12.3
107.04953	9.8
115.05511	2.8
117.07052	2.6
119.04959	2.9
120.05727	2.0
121.06483	8.0
123.04443	4.6
125.05935	2.2
128.06265	3.1
129.07014	7.3
131.04977	2.0
131.08597	4.5
133.06491	11.4
135.08109	3.2
137.05972	7.0
147.04390	2.5
149.06044	3.3
149.09587	2.2
151.07541	14.7
153.01802	2.3
153.05463	5.9
155.07040	5.2
157.06503	7.3
161.05968	27.0
161.09637	5.1
163.07579	6.8
165.09055	4.5
166.06343	3.0
167.07054	49.1
167.08485	3.0
173.68109	1.8
174.06744	4.1
175.07561	8.3
177.09106	100.0
178.09450	3.6
181.08617	24.4
189.09106	28.7
191.07176	3.3
193.08611	51.8
195.08122	3.7
195.10196	5.6
197.09549	3.0
203.10652	3.9
207.10158	6.2
219.08052	3.3
219.10144	5.6
221.11729	18.3
225.09166	4.7
237.09239	1.9
239.10709	2.6
241.08638	2.5
242.09270	2.7
251.06970	2.4
251.10716	2.7
253.08691	4.7
255.06592	3.4
255.10088	3.0
257.11746	4.5
265.08514	2.3
267.12384	11.3
270.09048	2.2
283.09726	3.8
283.12912	2.8
285.11105	10.5
299.09195	2.9
311.12692	3.3
315.12219	6.8
317.13882	8.9
329.13629	2.7
343.11346	2.4
343.15402	12.8
346.14191	3.4
359.14929	3.1
360.15594	15.4
360.59103	2.0
361.16443	76.1
362.16696	8.3
372.15567	2.4
373.16348	3.8
375.18454	2.0
414.85892	2.0
435.20157	56.2
436.20340	6.0
447.20370	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.291
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02912	1.3
65.17022	1.0
69.03426	2.5
71.04982	1.0
71.31498	1.6
79.05494	4.6
81.03426	1.6
81.07058	2.6
85.02922	4.3
91.05481	6.7
92.48135	1.0
93.03402	1.2
93.07045	4.7
95.04967	3.6
97.02894	2.5
103.05476	3.6
105.07036	10.9
107.04966	9.3
107.08571	1.2
109.02837	1.6
109.06527	1.6
109.10140	1.7
111.04417	1.0
115.05450	2.0
117.07008	3.8
119.04992	2.1
119.08583	1.4
121.06482	6.8
121.10165	1.4
123.04434	4.5
124.05212	1.5
125.05974	1.6
127.03903	1.9
128.06236	2.7
129.07018	7.2
131.04936	3.5
131.08574	3.6
133.06482	9.8
135.08070	2.5
137.05971	10.8
140.04715	3.0
143.08591	2.2
145.06488	3.4
145.10129	1.4
147.04404	1.5
147.08057	1.2
149.05994	2.9
149.09689	1.5
151.03883	2.3
151.07532	13.0
153.05461	4.7
155.07054	4.3
157.06461	6.4
159.08113	2.0
160.05363	1.2
161.05983	24.1
161.09630	4.1
162.06757	1.7
163.07513	7.3
165.06956	1.3
165.09088	2.5
166.06290	2.9
167.07039	43.8
168.07445	2.1
174.06749	4.1
175.07558	7.3
177.09108	100.0
178.09431	4.9
179.07088	2.3
179.08470	1.4
181.05075	1.3
181.08589	29.3
187.07520	1.3
189.09106	25.4
190.09464	1.1
191.07001	2.6
191.10777	1.3
193.08603	43.0
194.08968	1.7
195.08296	1.8
195.10172	4.5
197.09607	2.4
203.10707	3.3
205.08592	1.0
207.08101	1.4
207.10107	4.7
208.08849	1.4
210.06815	1.2
212.08224	1.4
219.08212	2.0
219.10196	3.9
221.06030	1.6
221.09763	0.7
221.11720	21.9
222.06709	1.3
222.12006	1.5
223.07605	3.9
225.09062	5.7
235.07532	1.3
235.09618	1.2
236.08321	1.6
237.09088	1.5
240.07962	1.5
241.08556	2.2
251.10614	2.3
253.08685	4.8
254.09114	2.0
255.10194	2.7
257.11655	5.0
265.08667	1.6
267.10107	1.9
267.12415	9.6
269.08112	2.0
270.08664	1.2
271.09586	1.1
279.10181	2.5
281.07962	1.4
283.09714	6.3
283.13266	3.2
285.11255	8.9
286.11545	1.1
297.11267	3.6
302.11426	1.7
309.11227	1.6
311.09274	1.1
311.12714	2.6
311.24759	1.1
315.12335	5.7
317.13770	6.1
329.13834	3.1
331.15356	1.6
341.13821	2.0
343.15390	11.1
344.15652	1.3
346.14337	2.6
357.17157	1.3
359.14816	3.8
360.15665	15.3
361.16437	69.5
362.16809	4.3
371.97653	1.1
372.15750	2.5
373.16376	1.9
375.18030	2.3
417.18796	1.6
435.20129	59.2
436.20468	5.3
447.20422	1.5
447.30844	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78033	0.6
53.03937	1.0
54.38922	0.5
55.01865	0.9
55.05512	4.9
57.03438	5.3
58.17626	0.6
58.25084	0.5
61.02927	6.0
63.87252	0.5
63.87631	0.4
65.03948	0.6
67.05502	6.7
69.03426	2.9
69.07056	1.9
69.82899	2.5
71.04980	1.6
73.02921	2.6
79.05491	8.3
81.03414	27.8
81.07046	9.0
83.04982	5.5
83.08619	9.3
85.02400	1.1
85.02900	16.9
87.93561	0.5
91.03948	5.5
91.04932	0.9
91.05475	10.8
93.07040	5.3
95.04963	11.7
95.08589	3.3
97.02891	5.5
97.06523	1.6
97.10191	1.1
98.23232	0.6
103.05398	0.6
105.07015	8.2
107.04940	3.1
107.08588	1.7
109.06501	1.7
109.10149	1.5
111.04388	1.4
111.08069	4.5
113.06005	1.0
115.05489	0.9
117.07013	0.8
119.08586	6.8
121.06474	0.8
121.10155	3.3
123.08089	0.7
123.11658	0.5
127.03907	2.4
129.06992	3.8
131.08545	4.5
133.06502	1.5
133.10124	4.6
137.05957	1.0
137.09618	1.0
139.11826	0.6
142.07745	1.4
145.04942	2.0
145.10129	0.9
147.08075	1.0
147.11684	7.3
149.09602	2.3
151.03940	1.3
153.01823	1.4
157.10126	6.1
161.05991	2.1
163.03859	0.6
163.05972	3.5
165.12808	1.6
167.06981	0.6
175.11166	7.4
193.12239	23.7
194.12663	1.1
207.08182	0.7
207.59023	0.6
211.13286	18.0
229.45622	0.7
267.10190	0.8
267.15836	5.3
285.11282	4.7
285.16943	100.0
286.11542	0.7
286.17303	6.6
305.88071	0.6
429.21060	2.0
447.16595	0.9
447.21982	2.8
519.66748	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
55.01856	2.7
55.05504	7.0
57.03429	5.7
59.70975	0.8
61.02924	11.1
65.03963	1.1
67.05501	8.5
69.03429	5.4
69.07064	3.6
70.67305	1.1
70.67631	1.1
71.04977	2.3
73.02906	3.8
73.57201	0.8
79.05107	0.9
79.05489	10.9
81.03413	41.2
81.07054	12.4
82.03767	0.8
83.04974	6.9
83.08612	14.4
85.02404	1.2
85.02897	23.8
85.06545	0.8
91.03953	7.5
91.05473	13.0
93.07041	7.3
95.04958	15.2
95.08588	3.9
97.02885	9.5
97.06510	2.4
97.10140	1.3
99.04449	1.6
99.08087	0.8
103.05449	1.9
105.07024	13.4
107.04953	5.0
107.08566	4.0
109.02837	1.3
109.06487	2.3
109.10071	0.8
111.04435	2.3
111.08065	8.4
113.05981	1.5
115.03954	1.0
115.05441	7.3
117.07001	1.1
119.08572	9.3
121.02810	0.8
121.06445	1.4
121.10155	3.9
122.03651	1.1
123.08038	1.5
123.11666	1.4
125.09573	0.8
127.03904	4.2
129.06999	5.1
129.99019	0.7
131.04907	0.9
131.08542	5.7
133.06494	6.0
133.10138	4.4
135.04436	1.3
135.07993	0.7
137.02338	0.8
137.05962	11.4
137.09636	1.3
142.07726	1.6
143.04929	1.2
145.04930	5.4
145.06490	0.7
147.04398	1.1
147.08041	2.1
147.11684	10.6
147.79700	0.9
149.05965	1.0
149.09615	4.0
150.06721	0.9
151.03880	7.2
153.01764	1.6
157.10114	8.4
161.05971	29.9
162.06268	1.1
163.03871	2.0
163.05992	4.8
163.07317	1.0
163.11267	1.0
165.12733	2.6
167.07079	1.0
167.08647	0.8
175.11154	11.1
179.08566	2.3
181.06483	0.8
185.43918	0.8
193.12231	42.0
194.12569	1.7
196.08867	1.4
197.09575	1.0
207.08052	2.6
211.13274	37.1
212.13654	2.2
216.53386	0.7
224.08292	2.3
225.09024	2.6
229.14360	1.3
235.07600	6.4
239.10661	3.4
252.07875	1.6
253.08600	1.5
255.06499	0.9
257.11743	1.0
267.10159	9.0
267.15900	17.4
267.18732	1.3
268.16226	1.7
285.11240	65.5
285.16916	100.0
286.11627	5.2
286.17258	7.7
287.12659	0.9
310.23575	0.7
411.19556	0.9
429.20941	0.7
434.14951	0.7
444.46762	0.9
447.16400	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	644.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	5.9
55.30452	4.2
65.03928	4.6
67.05513	23.4
69.03439	10.1
70.60905	11.1
79.05501	8.8
81.03414	17.3
81.07059	14.5
83.04935	4.4
85.02886	7.2
91.05468	8.8
93.07054	7.5
95.04968	8.6
95.08610	10.1
97.02852	4.4
103.05457	5.7
105.07044	9.9
107.04964	6.7
107.08588	7.6
109.02873	14.9
109.06534	7.8
109.10143	67.5
111.04469	6.3
119.08578	5.9
123.04448	6.6
127.03948	10.1
131.08554	4.8
133.06456	7.8
135.04398	42.5
135.08083	7.4
137.02383	5.0
137.05963	12.6
137.09612	96.4
139.03926	5.4
145.06483	5.1
147.08080	6.8
151.03850	11.4
151.07446	7.7
153.01816	6.0
153.05434	10.4
155.10652	11.6
161.06023	5.0
161.09637	4.4
163.07567	10.0
165.09109	100.0
165.10385	7.7
166.09521	4.9
167.07047	13.3
181.04976	10.7
183.10254	9.9
189.09085	4.5
191.07069	7.3
201.11205	21.3
209.08006	4.4
240.16339	4.6
247.13316	18.6
253.08572	5.0
257.07999	5.6
265.14346	11.2
291.12372	8.7
303.04980	14.2
309.13269	47.3
310.13470	5.3
327.14328	20.9
345.15442	11.1
360.53650	4.0
378.66315	5.1
483.21811	14.1
511.28897	4.2
623.02429	4.3
644.23694	41.6
645.27252	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	644.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.9
55.05503	1.3
67.05492	3.6
69.07055	1.7
69.16470	4.0
71.04971	0.9
78.04738	0.5
79.05494	4.6
80.57056	0.5
81.07049	3.0
83.08604	1.3
85.06557	0.7
88.50220	0.4
91.05477	3.8
93.07053	2.8
93.43663	0.5
95.04955	2.3
95.08598	2.7
97.10146	0.6
103.05451	2.0
105.07024	4.6
107.04946	30.9
107.08588	2.1
108.05253	1.0
109.10135	1.4
111.04436	0.6
115.05430	2.3
117.06995	1.5
119.08557	1.3
120.05728	0.6
121.06458	1.3
121.10124	1.8
123.04437	1.2
123.08055	1.1
124.05173	0.6
125.05998	0.6
125.09641	0.7
131.08591	0.9
133.10133	1.0
135.08041	9.5
135.11656	1.1
137.09612	0.8
137.13274	0.5
143.08611	0.5
145.07594	1.1
145.10123	2.1
147.04408	0.8
147.11665	0.6
148.05159	0.5
151.03868	0.6
154.06241	1.7
158.07295	1.2
161.13234	0.6
163.07539	17.9
167.07014	21.2
168.07341	0.8
173.09663	3.4
177.05536	0.8
180.07819	2.9
181.08574	2.7
185.13365	0.5
189.11227	0.7
189.43399	0.5
195.10152	100.0
196.10498	4.4
201.09090	7.4
202.09500	0.7
219.10199	0.7
233.11682	6.6
251.12856	2.8
277.21527	1.2
279.23190	1.3
285.53867	0.5
295.22736	1.2
296.19598	0.6
297.24268	0.5
387.18042	4.6
423.21066	0.6
644.35168	0.8
645.36646	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	17.3
55.05514	41.2
57.07079	63.3
60.91627	12.9
67.05506	98.4
68.02993	11.9
69.03443	19.6
69.07068	40.7
70.46109	32.7
71.04993	21.3
79.05498	63.4
81.07056	99.9
82.07402	17.5
83.08653	18.7
84.20403	13.1
85.06561	11.5
89.06036	23.0
91.05471	60.2
93.07046	78.3
95.05011	32.1
95.08626	77.0
97.06547	35.7
97.10167	28.2
105.07042	100.0
106.07410	15.9
107.08603	74.8
109.06509	20.8
109.10163	41.7
119.08599	43.1
121.10163	58.2
125.09630	22.3
131.08551	28.8
133.06541	13.7
133.08635	33.8
133.10165	46.8
135.08083	13.8
135.11696	49.1
137.05931	15.1
137.09633	48.7
139.11154	16.6
143.08672	14.6
145.10152	20.9
149.09630	21.6
151.11195	37.8
153.05400	19.5
159.11707	15.9
165.09138	16.0
167.10699	20.3
173.13312	18.6
177.11203	16.8
187.14839	15.8
189.11165	13.5
189.12721	22.3
193.08653	23.4
209.08174	16.7
225.11226	52.8
236.15195	15.9
237.14906	23.3
261.14758	14.1
273.18439	12.9
290.69220	15.4
335.25757	28.0
355.44354	13.9
400.18640	19.5
469.29694	19.8
546.38641	27.5
547.40314	19.8
555.29138	27.5
627.35388	19.8
644.26141	25.2
644.40485	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	644.4729
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93208	4.4
53.03948	5.3
55.01871	8.9
55.05511	65.9
57.03453	4.5
57.07066	5.1
60.59212	4.7
67.05506	84.7
69.07068	43.3
71.05003	6.0
71.08669	4.8
78.65370	4.1
79.05489	59.8
80.05837	4.7
81.03440	6.8
81.07059	82.4
82.07357	4.5
83.08630	57.5
85.06528	5.2
89.06037	12.6
91.05485	30.0
93.07036	53.7
95.05000	5.4
95.08599	75.6
97.06550	10.1
97.10168	38.6
98.22549	13.1
105.07037	29.2
107.08592	36.4
108.08916	6.3
109.06528	5.2
109.10157	34.6
111.08058	25.4
117.07041	7.7
119.08603	21.7
121.10137	35.0
123.08071	8.1
123.11691	7.3
125.09624	28.0
129.06981	6.4
131.08611	21.6
133.10146	18.5
135.08073	13.0
135.11702	22.1
137.06029	7.2
137.09616	8.2
137.13330	6.5
139.07500	6.5
139.11180	8.4
140.21393	4.7
143.08533	7.2
145.10121	17.0
147.11688	15.5
149.09596	9.6
149.13255	10.9
153.09142	8.4
157.10121	4.4
159.11670	9.8
161.13297	7.8
171.11702	6.8
173.11809	9.1
173.13245	4.9
175.09665	15.4
175.14821	8.1
177.05418	4.7
177.11275	4.4
187.14862	6.0
189.11150	21.1
197.13254	5.8
225.16464	4.7
243.21053	9.1
249.82632	4.9
261.22156	14.1
279.23206	36.9
280.23352	4.6
297.24078	24.6
367.20959	33.0
399.28787	8.2
413.30417	12.8
417.29913	12.7
421.33368	5.9
431.31516	28.1
546.38788	5.1
555.40405	12.0
573.41431	40.0
574.42157	4.9
591.42456	22.4
609.43536	26.3
610.43329	4.9
635.79926	5.8
644.38849	7.9
645.43567	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.5097
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27898	2.7
53.03948	4.3
55.01876	5.3
55.05510	35.2
57.03430	3.2
57.07078	16.5
59.05007	3.8
65.03941	3.8
67.05507	97.9
67.05872	5.2
68.05846	3.3
68.59738	2.6
69.03425	5.1
69.07068	42.9
71.04995	11.9
71.08635	5.1
71.31824	4.5
77.03949	2.8
79.05496	57.0
79.06977	2.4
81.03427	6.4
81.07059	100.0
82.07397	7.0
83.04989	11.2
83.08623	25.5
84.40920	2.8
85.02888	4.7
85.06546	14.0
85.10187	4.0
89.06048	10.5
91.05476	35.1
93.07043	68.6
94.07388	3.1
95.04980	10.9
95.08609	91.4
97.06541	16.9
97.10171	13.7
99.08086	7.4
105.07036	28.5
107.04988	3.3
107.08588	45.1
108.08965	4.9
109.06544	10.0
109.10155	44.7
111.08094	8.1
113.09589	3.3
117.07033	10.5
119.08593	26.5
120.08965	3.2
121.06519	5.1
121.10145	49.0
122.10487	3.6
123.08073	12.2
123.11704	15.7
125.08545	2.3
125.09631	16.0
127.07571	9.3
129.07021	9.6
131.08577	22.3
133.06525	6.3
133.08630	4.7
133.10129	30.0
135.08087	9.0
135.11708	31.4
137.06013	3.1
137.09619	10.1
137.13275	6.4
139.07542	3.6
139.11221	9.8
140.07726	2.8
141.09154	5.4
143.08565	5.2
145.10141	21.9
147.08041	5.1
147.11693	14.0
148.12050	3.0
149.05957	3.4
149.09634	12.0
149.13290	9.8
151.07565	6.0
151.11194	12.3
153.09097	4.5
155.07092	6.6
157.10167	7.2
159.11690	10.8
161.13333	8.8
163.11189	8.1
163.14926	3.1
165.09154	4.1
165.12762	4.9
167.10628	6.4
171.11703	6.6
173.11911	4.0
173.13297	9.0
175.07523	3.4
175.14848	4.4
177.05457	3.7
177.11325	3.0
177.12811	3.8
179.14359	3.0
181.12177	2.9
183.11745	2.8
185.13214	5.5
187.14806	5.7
189.11270	6.8
193.12270	5.4
195.13812	3.8
199.14935	2.8
201.16522	3.2
215.18018	2.8
219.13869	3.4
223.17009	3.1
225.11182	4.1
235.13441	3.5
237.14920	12.7
243.21068	5.4
259.20618	10.6
261.22217	11.3
267.15878	3.7
275.20032	7.4
277.21603	23.4
279.23224	26.7
280.23654	2.9
293.21121	7.0
294.21469	6.2
295.22787	14.0
297.24207	10.2
327.19611	3.9
345.20529	3.3
591.45038	3.1
627.34235	3.3
644.41656	5.0
645.36853	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	644.51
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.8
55.01870	8.2
55.05516	26.5
56.54334	2.9
57.03426	5.8
57.07077	13.3
58.04058	2.5
59.04996	2.7
65.03931	4.0
67.05508	94.3
69.03411	3.2
69.07065	35.1
71.04984	13.2
71.08617	6.2
73.06546	2.6
79.05495	58.5
81.03426	5.9
81.07061	100.0
82.07401	6.8
83.04984	11.0
83.08622	26.8
85.06550	11.5
87.04472	4.3
89.06019	13.4
91.05478	44.1
92.05832	3.0
93.07049	65.6
94.07387	5.3
95.04974	10.8
95.08609	95.3
96.08916	3.4
97.02847	3.1
97.06543	16.2
97.10166	15.6
99.08096	7.1
105.07033	35.8
106.07329	3.5
107.04980	3.1
107.08598	51.9
108.08987	2.7
109.06525	10.0
109.10156	42.7
110.10497	2.7
111.04450	2.9
111.08094	8.9
111.11701	4.1
113.09637	6.1
115.03941	10.6
117.07023	10.7
119.08574	34.0
121.06512	6.2
121.10151	53.2
122.10539	2.8
123.08090	8.1
123.11707	12.8
125.02370	11.0
125.09656	15.4
127.11169	2.9
129.06999	5.6
131.08580	22.9
133.08606	6.6
133.10106	25.8
134.10518	3.4
135.08051	7.1
135.11684	37.8
137.05916	3.5
137.09622	11.6
137.13245	7.6
139.07574	5.1
139.11179	13.3
143.08568	4.5
145.10146	19.1
147.11687	23.3
149.09650	12.6
149.13242	13.3
151.11180	6.7
153.09154	3.4
157.05013	11.7
157.10107	7.0
159.11636	13.2
161.09607	5.4
161.13255	10.5
161.98071	2.7
162.19028	2.4
163.11189	4.8
163.14821	6.0
165.12756	7.1
167.10718	4.4
169.10162	3.3
169.12288	3.6
171.11665	8.5
173.11835	3.3
173.13269	10.0
175.14845	10.6
177.05486	2.5
177.12726	4.6
179.14420	2.5
180.10767	2.9
181.12196	2.7
185.13257	3.8
187.09634	2.6
187.14861	6.0
189.11263	4.8
189.16377	4.6
193.12158	3.4
193.15959	3.6
199.14893	4.0
201.14745	4.2
201.16397	7.1
203.17892	3.1
213.16365	3.2
225.11145	4.0
237.14880	6.3
239.18002	2.9
241.19618	6.7
243.21118	6.7
251.16444	3.5
259.20554	15.6
260.21036	2.9
261.22177	11.4
275.20004	6.2
277.21661	32.1
279.23224	30.1
280.23608	4.7
293.21085	5.8
295.22705	17.4
297.24182	10.1
389.32269	5.0
407.33203	7.9
408.33337	2.6
435.32495	11.4
443.35162	5.0
445.33212	2.7
447.31656	2.9
461.36298	3.2
529.38660	3.9
537.42682	3.0
546.38245	3.8
555.43781	7.5
573.44849	4.1
644.38953	34.9
645.24786	5.2
645.34772	3.7
645.43481	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	645.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
62.44134	2.8
67.05499	4.9
71.32465	3.5
71.32887	4.0
76.26727	2.7
79.05489	7.0
91.05495	4.5
93.07041	7.7
94.06570	12.4
95.04961	3.9
95.07353	6.9
96.08122	21.7
97.08464	3.1
106.06552	7.3
107.07308	3.7
108.08131	28.8
110.09680	26.9
120.04475	3.5
120.08099	23.9
121.76962	2.9
122.06010	16.0
123.06827	4.0
124.07608	13.8
134.06097	5.5
136.07562	54.9
138.09148	52.6
144.04434	2.9
146.06009	12.9
148.07562	26.6
150.09143	9.7
151.03926	3.4
152.07053	34.9
162.05531	3.2
164.07095	10.1
166.08632	63.7
167.07062	7.1
172.03973	25.6
176.07144	3.9
181.04974	6.4
182.08127	3.2
190.05020	22.2
197.10837	4.1
198.11539	7.9
204.06558	49.2
210.11592	9.7
211.08841	3.4
211.12315	17.0
211.13956	2.7
212.09344	4.9
212.13031	7.8
218.08148	4.7
223.08763	3.0
223.12343	16.3
224.12785	3.1
225.10178	17.3
226.11015	12.1
227.11812	8.2
229.13498	3.3
235.12355	3.8
236.09393	2.8
237.10205	19.4
238.10930	16.8
239.11749	21.5
241.13260	4.5
248.09442	2.9
249.10268	12.5
250.11029	7.5
251.08003	4.3
251.11792	32.8
252.08838	4.7
252.12628	6.9
253.13438	9.5
255.11249	12.0
256.12088	9.8
257.12723	3.4
262.11108	7.9
263.07925	3.8
263.09232	3.2
263.11816	26.8
264.08914	8.6
264.12515	8.7
265.09824	20.1
265.13315	12.5
266.10522	11.9
267.11319	40.9
268.11749	5.6
269.12796	11.7
271.11072	3.7
271.14423	11.5
273.12372	7.8
277.09698	3.5
278.10663	6.7
279.11258	60.7
280.11890	11.9
281.12775	26.0
282.13391	3.5
283.10791	14.6
284.11526	21.8
285.12314	76.6
287.13931	5.7
289.15619	3.6
291.11273	14.9
292.12042	4.5
293.09558	5.2
293.12866	17.5
295.10663	7.2
296.11526	13.9
297.12314	100.0
298.12958	10.6
299.13788	15.3
307.10626	4.7
309.12305	33.6
310.12894	12.1
311.10229	9.1
311.13635	4.4
313.11749	7.7
316.14536	3.7
319.10889	15.9
321.12277	29.6
322.13287	3.5
323.10321	22.6
325.11768	37.8
326.12302	5.1
327.13373	20.1
328.13788	3.7
337.11804	79.8
338.12332	7.7
339.13266	7.9
341.11273	3.4
357.14380	13.7
358.15143	4.0
359.15802	5.8
362.18420	3.8
369.14224	4.7
373.13620	3.9
385.13705	3.1
390.17920	3.9
392.19745	10.1
401.17587	3.9
402.18018	7.5
404.19852	7.6
412.16330	3.5
416.19800	3.7
420.19217	4.8
422.20740	6.1
430.17560	22.1
431.18054	3.7
432.19247	10.8
436.18491	6.6
442.16922	6.6
446.20599	10.5
448.18625	56.3
449.19376	55.0
450.20157	55.4
451.20499	6.4
460.18631	42.9
461.19138	8.7
462.20169	5.3
463.20834	6.0
472.18481	4.9
474.20285	10.0
476.18048	24.7
477.18851	17.6
478.19565	24.3
480.21277	4.5
490.19766	80.1
491.20486	33.7
492.21222	31.3
493.21814	9.8
522.22302	34.7
523.22980	19.5
595.25403	21.2
613.26587	91.2
614.26666	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	645.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.8
55.05514	45.9
57.03442	11.3
57.07071	58.7
59.05024	11.9
65.03949	14.6
67.05512	95.9
69.03421	16.6
69.07069	36.8
69.32871	30.5
69.33295	29.4
71.04989	30.1
79.05497	68.7
80.05830	10.7
81.03407	25.5
81.07059	78.6
82.07400	12.3
83.04978	25.4
83.08625	11.1
85.06541	32.5
85.34772	8.4
91.05490	47.6
93.07050	100.0
95.04960	56.6
95.08603	54.8
97.06536	34.5
97.10197	10.0
98.22532	8.3
105.07030	75.1
105.27707	8.1
107.04958	12.1
107.08596	62.8
107.11588	7.8
109.00419	7.5
109.06530	24.7
109.10152	33.7
111.08121	11.8
113.06010	13.1
114.87459	8.4
117.07047	14.4
119.08579	40.3
121.06506	19.6
121.10144	55.9
123.04394	9.7
123.08080	20.6
123.11710	14.8
125.05990	8.7
125.09629	14.3
129.07039	18.0
131.08585	29.4
133.06522	17.6
133.10138	51.4
133.63911	9.3
135.08063	21.2
135.11705	36.5
137.05988	16.4
137.09634	35.4
139.11168	29.4
143.08517	18.7
145.10143	28.1
147.08070	24.5
147.11667	17.6
149.09615	36.3
151.11198	31.0
153.05493	26.4
153.12712	9.1
155.08578	8.6
157.06564	8.9
157.10130	23.4
159.08029	13.4
159.11729	14.7
161.05980	10.6
161.13237	11.3
163.07501	12.9
165.09181	15.9
167.10683	28.7
169.04950	15.2
171.11720	16.8
173.13283	12.1
175.07655	15.2
175.11182	8.4
177.09125	11.4
179.07056	9.2
183.02792	9.0
187.11324	8.7
191.07059	9.6
193.08673	16.1
193.12175	9.7
197.08086	9.6
197.13278	9.1
199.14851	28.1
201.12918	9.7
201.16415	10.9
203.07098	14.4
205.08604	24.9
207.10184	17.3
209.11732	20.4
209.15356	12.6
211.09702	34.3
219.13829	14.9
223.09689	9.0
225.11197	62.6
237.14890	42.4
241.10683	11.9
247.13350	22.4
251.16487	19.3
259.20566	9.0
261.14899	17.1
271.13239	20.8
279.15939	15.6
287.12827	17.4
289.14417	47.6
291.15823	15.5
301.14322	11.3
307.15399	24.8
327.19522	17.7
331.18958	12.5
343.18854	10.0
345.20709	11.3
355.18900	9.5
359.18573	16.1
373.20166	45.7
377.19550	15.8
391.21161	36.0
439.20969	11.9
443.23846	13.9
525.27399	9.1
530.39514	14.3
531.39917	9.3
547.39648	23.7
548.39417	10.2
555.29663	30.3
591.33179	21.4
609.33527	30.7
627.35211	46.2
645.26068	84.7
645.42755	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.3
53.67256	4.3
55.01874	10.1
55.05509	25.7
55.52196	4.3
57.03430	4.8
57.07074	100.0
59.04998	9.1
65.03917	7.7
67.05502	58.2
69.03431	20.8
69.07075	28.0
69.21052	36.6
71.01373	5.8
71.04991	31.5
79.05487	52.3
81.03430	17.9
81.07055	78.1
82.07385	7.6
83.04993	14.8
83.08616	19.0
85.02888	5.1
85.06547	40.5
89.06019	10.2
91.05473	49.3
93.07045	63.5
94.07377	8.2
95.04960	21.7
95.08606	71.0
96.08987	5.3
97.06524	27.2
97.10166	9.1
98.98438	5.4
99.08106	4.9
103.05473	6.2
105.07023	60.3
106.07435	4.2
107.04979	10.0
107.08595	51.5
109.06498	22.2
109.10173	39.4
111.04453	10.3
111.08060	13.0
113.06016	6.6
113.09590	5.0
117.07031	10.8
119.04932	10.1
119.08576	51.9
121.06527	22.8
121.10142	53.1
123.04442	6.7
123.08068	21.5
123.11711	17.8
125.06016	8.6
125.09601	9.0
127.11211	7.5
129.06947	10.2
131.08578	33.2
133.06503	27.3
133.10135	45.8
135.04459	5.8
135.08060	18.4
135.11659	26.6
137.05968	9.6
137.09607	36.1
139.03926	7.4
139.07576	7.9
139.11176	32.5
141.05482	7.8
142.07806	6.8
143.08543	11.1
145.06529	13.7
145.10155	16.7
147.08026	29.6
147.11708	12.5
149.05984	7.6
149.09610	38.3
149.13280	8.3
150.10376	10.4
151.07561	9.1
151.11166	56.3
153.05504	13.7
153.12762	9.1
155.03450	5.8
155.10706	9.5
157.05069	7.0
157.10123	8.2
159.08031	14.5
159.11690	11.1
161.05968	10.1
161.09625	13.4
163.03990	4.3
163.07567	14.0
163.11201	10.1
165.05434	6.4
165.09143	10.0
167.07086	6.3
167.10704	18.5
169.05043	11.4
171.08055	8.5
171.11688	8.2
171.21765	4.8
173.06082	5.4
173.09642	12.2
173.13301	9.7
175.07568	19.8
175.11235	6.1
175.14888	7.3
177.09142	11.2
177.12685	9.9
179.07062	8.9
181.04993	6.7
183.02864	15.4
183.11646	8.9
185.04485	6.7
185.13295	6.6
187.07617	7.5
187.11412	8.6
189.05482	5.0
189.09158	8.7
189.12761	6.9
191.07088	16.1
191.10777	7.3
191.14325	11.9
193.08603	8.9
193.12244	8.7
195.10175	10.5
197.08063	10.5
197.09755	8.8
199.11244	6.3
201.09126	11.5
201.12796	12.8
203.06989	25.3
203.14319	8.4
205.04837	5.3
205.08623	10.2
207.10127	6.4
209.09763	5.7
209.15457	9.5
211.09596	12.2
213.12703	6.2
217.12173	11.2
219.10057	11.2
219.13693	11.2
221.08098	10.6
221.15408	6.3
223.09572	9.7
225.11118	11.2
227.09062	5.3
229.08591	4.9
229.12213	14.0
233.15401	4.8
235.13332	17.3
237.14838	67.4
239.09068	9.0
241.10585	24.5
243.13913	15.0
245.11644	5.4
247.13219	34.0
249.14879	6.3
251.16418	21.6
255.10176	12.5
255.13843	5.0
257.15738	6.2
259.13354	13.0
261.14899	13.5
265.14383	13.6
269.11804	12.7
271.13281	25.1
273.11642	4.5
273.14905	14.8
275.16364	8.5
279.15900	12.6
285.14868	13.6
287.12787	28.1
289.14301	53.6
291.19739	9.3
299.12674	6.5
307.15314	22.2
313.17975	10.0
323.16467	5.9
325.17865	6.6
327.15884	5.8
327.19241	10.1
331.19205	8.9
337.18085	7.3
341.17349	9.1
343.18933	21.9
345.20731	12.9
355.15369	6.2
355.19141	22.6
359.18460	17.5
361.20221	5.2
371.49094	4.6
373.19946	43.4
377.19611	19.4
391.21021	61.0
392.21817	5.6
409.22186	22.2
439.21133	16.6
453.22491	6.3
459.23505	6.3
465.22568	9.3
465.32285	7.8
466.32294	15.0
507.26797	7.2
517.36621	5.6
521.28656	8.6
525.28571	7.0
530.39868	5.6
531.26764	5.7
539.29346	7.0
543.29254	9.4
547.40070	28.6
549.28326	20.7
555.29749	8.4
567.29602	8.0
578.48175	5.2
591.32855	18.1
609.33936	19.4
627.35059	16.7
645.42523	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	645.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83929	0.9
53.03944	1.1
55.01873	1.5
55.05508	6.7
57.03426	1.3
57.07074	2.4
59.05048	1.0
67.05501	13.9
69.07072	9.5
71.04991	1.7
71.31930	2.0
79.05490	11.8
81.03413	3.0
81.07057	20.0
81.52829	0.9
82.13069	0.9
83.04969	1.7
83.08621	6.9
85.06523	2.1
89.03915	9.3
91.05486	11.6
93.07044	18.0
94.07311	1.3
95.04964	2.4
95.08611	22.9
97.06518	3.6
97.10137	2.5
99.08082	1.2
105.07038	11.5
107.04947	1.4
107.08594	18.4
109.06501	2.5
109.10151	8.3
111.04446	1.5
111.08089	2.8
113.05999	1.0
117.03379	20.4
117.07018	3.8
117.12435	1.2
119.04930	1.3
119.08578	16.3
121.06503	1.5
121.10162	16.4
123.08063	3.2
123.11716	4.9
125.09634	2.8
129.07005	1.7
131.08578	6.9
133.10144	10.6
134.03624	2.7
134.10370	1.0
135.04362	2.3
135.08020	1.9
135.11710	9.1
137.05962	1.0
137.09584	3.0
137.13327	1.1
139.11133	2.1
139.43446	1.0
142.07809	1.7
143.08563	6.3
145.02847	53.5
145.10112	12.9
146.03220	1.5
147.11714	8.5
149.05991	9.6
149.09602	2.4
149.13234	10.3
151.07524	2.3
155.08585	2.0
157.10152	5.9
159.11700	6.0
161.13268	5.0
163.03900	4.4
163.07356	1.3
163.11134	1.6
163.14806	1.2
169.10132	4.7
171.11670	5.7
173.13248	5.5
175.07571	1.5
175.11008	1.2
175.14807	5.2
177.05472	100.0
177.16405	2.4
178.05804	4.2
181.10025	1.5
183.11658	3.5
185.13251	6.1
186.05521	1.2
187.14787	10.0
189.16391	3.0
191.14302	1.1
191.17932	1.1
195.06528	29.4
196.06898	2.1
197.13284	3.8
199.14821	5.7
201.16418	6.0
203.10623	1.1
203.14357	1.9
203.18007	2.1
205.15904	1.4
209.13310	1.8
210.14151	1.4
211.14778	2.3
213.16354	4.6
217.19359	1.0
219.17398	1.7
223.14845	1.2
225.16380	1.8
227.17987	1.4
231.13811	1.5
233.51123	1.0
237.14702	1.5
239.17993	6.0
240.18047	1.2
241.19478	1.6
251.17903	1.9
259.20419	1.2
261.22012	2.2
263.17792	1.2
267.20966	1.3
277.21729	2.3
279.23145	2.9
285.18497	2.3
295.22702	1.5
297.18680	2.0
297.24249	1.1
387.30499	4.5
389.32214	1.5
403.28992	1.3
405.27347	1.0
405.31616	8.7
406.31610	1.3
407.29248	1.3
421.29254	1.2
433.30948	19.0
434.31534	1.2
451.32254	5.3
462.28714	1.2
483.34311	3.0
555.44220	1.1
592.29596	1.1
645.39929	12.8
646.39001	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.4572
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.9
53.03940	4.6
55.01878	10.9
55.05511	84.2
57.03423	4.9
57.07066	5.0
59.04991	3.6
64.06883	1.4
65.03922	3.1
67.05504	84.0
68.05833	3.3
69.03427	7.3
69.07067	47.1
70.07390	1.5
71.04999	8.1
73.06562	1.5
75.11217	1.2
78.28034	1.2
79.05492	66.4
81.07058	100.0
82.07380	4.3
83.04980	7.8
83.08620	55.7
84.08949	2.5
85.06538	8.1
87.04469	2.2
91.05476	28.8
93.06454	2.8
93.07044	56.6
94.07372	1.9
95.04969	5.5
95.08607	71.6
96.08948	1.4
97.06530	11.2
97.10171	72.7
97.17943	1.2
99.04459	1.7
99.08076	3.7
101.05985	1.5
105.04503	1.7
105.07027	28.9
105.07729	2.1
107.04916	2.8
107.08591	47.5
108.08884	1.5
109.06522	7.1
109.10154	39.8
110.10499	1.9
111.08094	13.7
111.11724	3.9
113.06062	1.5
115.05397	1.8
115.07559	1.4
117.07025	9.7
119.08572	22.3
121.06488	3.2
121.10145	35.6
123.08082	7.1
123.11716	13.0
125.08712	2.9
125.09631	54.6
129.05492	1.9
129.06996	2.5
131.08568	15.6
133.06458	2.6
133.09193	1.8
133.10127	18.8
134.10515	2.2
135.08044	9.5
135.11693	21.5
137.09618	5.1
137.13237	5.4
139.07549	12.0
139.11188	8.5
143.08534	4.6
143.10689	5.8
145.10112	18.4
147.08073	1.8
147.11713	13.1
149.09636	10.7
149.13235	7.8
151.07536	4.2
151.11197	5.9
151.14784	1.8
153.09116	23.4
157.08586	3.6
157.10141	5.0
157.12213	2.0
159.08057	1.3
159.11705	14.5
161.09622	2.7
161.13257	10.6
163.11191	4.8
163.14838	4.4
165.12770	3.5
167.10677	3.4
169.10086	1.7
171.10187	4.1
171.11708	6.2
173.09703	1.4
173.11832	3.0
173.13257	9.4
174.42825	1.1
175.09654	8.4
175.14810	4.9
177.12759	3.8
179.10657	1.3
179.14235	2.4
185.13258	4.7
187.14835	4.7
189.11218	47.1
189.12596	1.8
189.16318	1.6
191.14178	1.5
195.13826	2.5
196.12270	1.4
199.14857	3.5
201.16399	2.8
205.15714	1.7
206.71861	1.2
209.15218	1.6
211.09564	1.6
227.17828	1.6
231.14102	1.3
232.19775	1.4
237.14925	2.5
241.19511	2.8
243.13643	1.7
243.21208	9.2
259.20593	3.5
261.22134	22.1
262.22592	2.0
265.21631	2.0
275.20090	3.1
277.17960	3.6
277.21628	3.6
279.23193	70.7
280.23486	5.5
287.19998	2.2
293.20966	3.7
295.19092	2.9
295.22281	1.9
297.21149	2.1
297.24237	51.2
298.24530	4.9
311.22296	1.9
333.24170	2.6
385.31079	7.5
395.29437	4.1
403.32010	20.9
404.32315	2.0
413.30490	12.3
417.29230	9.0
421.33307	23.0
431.31564	38.7
432.31726	4.0
435.30246	3.0
435.35254	3.1
439.34094	10.0
440.34210	2.1
449.32611	20.2
450.32614	1.7
453.35950	3.1
467.33731	2.3
537.39337	3.1
545.42200	1.6
555.40338	13.8
573.41431	56.2
574.41724	9.6
591.42560	29.9
592.42798	2.7
609.43591	20.1
610.43781	3.0
627.34625	1.9
627.44299	1.7
645.23932	2.7
645.33978	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.4937
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.9
55.01878	7.7
55.05510	34.5
57.03427	5.8
57.07066	5.8
59.04983	4.0
59.34019	1.5
65.03944	4.3
67.05505	89.6
68.05821	2.3
69.03423	5.0
69.07068	46.7
69.07449	2.4
69.13943	12.4
71.04998	9.3
72.44303	1.3
75.04482	1.5
79.05491	56.8
79.05952	2.8
81.03422	5.6
81.07057	100.0
82.07391	3.3
82.25925	1.4
83.04988	10.2
83.08618	24.2
85.02897	2.5
85.06544	9.6
87.04474	1.9
87.41239	1.4
87.53771	1.2
89.03932	1.8
89.06001	1.2
91.04931	2.6
91.05480	32.2
93.07044	68.2
94.07379	1.7
95.04962	9.9
95.08604	91.8
96.08938	3.4
97.06539	18.3
97.10170	20.1
99.08096	5.1
103.05450	2.1
105.07035	31.7
107.04976	2.4
107.08593	48.7
108.08895	1.6
109.06518	8.7
109.10159	45.8
110.10519	2.2
111.04443	2.2
111.08087	9.2
111.11710	1.8
113.09637	1.5
115.04001	1.4
115.05458	1.4
115.07526	2.0
117.03400	2.8
117.07020	10.2
119.04885	1.7
119.08582	27.3
120.08900	1.8
121.06504	3.5
121.09272	2.7
121.10144	50.2
122.10493	1.5
123.04400	1.4
123.08066	20.4
123.11704	15.8
125.06000	1.4
125.09637	15.0
127.07543	6.6
127.11165	1.8
129.06995	3.7
131.08571	15.2
133.06532	1.4
133.10133	26.2
135.08051	5.4
135.11691	35.8
137.05988	3.6
137.09619	14.1
137.13242	5.6
139.07518	1.8
139.11188	13.8
141.05365	1.4
141.09085	1.7
143.08546	6.8
145.02849	9.1
145.10117	16.0
147.07974	1.8
147.11679	17.0
149.06018	2.7
149.09593	8.1
149.13254	11.3
150.13609	1.4
151.03888	1.4
151.07501	2.9
151.11183	8.4
151.14865	2.3
153.09061	6.7
153.12744	6.3
155.10747	1.3
157.10123	3.8
157.12251	1.6
159.11702	8.6
161.09579	3.1
161.13268	8.3
163.07509	1.5
163.11180	5.2
163.14830	5.1
165.01744	1.4
165.09027	2.0
165.12787	3.7
167.10690	3.3
167.14339	1.8
169.10204	1.7
169.12204	2.3
171.10236	2.3
171.11676	5.3
173.11845	3.2
173.13266	10.7
175.07585	1.5
175.11201	1.5
175.14821	6.5
177.05457	17.4
177.09105	1.8
177.12778	3.7
177.16379	2.1
179.10641	2.2
179.14311	3.4
181.12230	2.5
183.11746	1.3
183.13884	1.7
185.13271	5.3
187.14848	5.4
189.09390	1.5
189.11232	6.2
189.12726	1.8
189.16385	3.9
191.14287	2.9
193.12288	2.0
193.15855	1.9
195.02626	2.8
195.06522	1.6
195.13878	2.1
197.13202	2.1
199.14845	1.8
201.14774	1.8
201.16472	2.7
203.12724	1.8
203.14401	1.6
203.17940	1.8
209.15385	4.1
211.09724	2.0
211.15009	1.6
215.18001	2.4
221.15498	1.7
223.16931	2.1
237.14891	1.7
239.18001	2.3
241.19531	4.6
243.21033	7.6
249.18500	1.8
249.22139	5.9
259.20560	11.4
261.22141	19.8
275.20157	6.9
277.21625	48.1
278.21948	3.7
279.23190	62.7
280.23535	3.7
293.20984	3.5
295.22672	50.0
296.22940	2.1
297.24265	21.9
298.24579	1.6
313.23727	4.6
387.29788	1.8
405.30814	1.5
417.29660	1.6
431.31284	2.8
435.35001	2.0
508.45215	1.6
537.42926	4.1
539.33502	7.9
555.44037	17.7
556.44476	2.9
573.45123	19.3
574.45532	2.5
591.46631	7.8
592.46222	1.9
609.47034	4.1
645.36121	14.0
646.38055	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.5
55.01870	5.7
55.05514	46.7
56.31445	1.1
57.03442	3.1
57.07079	7.0
59.04999	1.9
65.03936	2.2
67.05508	74.2
68.05817	1.1
69.03444	6.3
69.07072	65.3
70.07409	1.8
71.05000	10.4
71.31773	1.3
73.06567	1.4
79.05497	51.6
81.03420	2.1
81.07061	100.0
82.07388	2.9
83.04994	8.0
83.08623	32.8
85.06551	9.4
85.10196	1.3
87.04461	1.9
90.63647	1.2
91.05480	23.0
92.05822	2.3
93.07049	62.4
94.07355	1.6
95.04975	5.2
95.08611	78.1
96.08958	2.5
97.02951	1.3
97.06535	17.1
97.10175	37.4
99.08089	2.3
105.07030	20.9
107.08600	40.0
109.06516	5.7
109.10163	43.8
110.10511	2.1
111.08089	5.1
111.11755	4.5
115.03941	2.4
117.07025	5.0
119.08588	22.7
121.06496	2.5
121.09280	2.7
121.10149	43.7
122.10490	1.8
123.08084	7.0
123.11707	16.8
125.02409	1.8
125.09641	28.9
125.10513	2.4
129.07010	2.9
131.08578	13.6
133.10147	18.4
135.08067	5.5
135.11700	23.6
136.12013	1.4
137.05957	1.5
137.09605	7.1
137.13258	6.6
139.11186	28.1
143.08589	2.5
145.10141	13.7
147.08141	1.5
147.11696	12.2
149.09642	5.1
149.13217	10.9
151.11188	5.5
151.14783	2.0
153.09111	8.3
153.12695	1.5
155.10696	2.6
157.04990	3.2
157.10109	2.9
157.12250	5.9
159.11699	8.5
161.13210	11.4
163.11192	3.5
163.14847	5.7
165.09160	1.5
165.12788	3.5
167.10719	3.3
169.12262	2.1
171.10237	2.0
171.11691	2.7
173.11754	5.9
173.13290	8.4
175.11215	1.5
175.14844	4.3
177.05481	2.0
177.12723	2.1
177.16368	3.3
181.12328	1.6
185.13263	2.8
187.13347	1.8
187.14865	5.1
189.11226	22.0
189.12807	2.0
189.16304	1.7
195.13832	1.3
199.14925	1.4
201.16431	3.0
203.18042	1.4
205.08559	1.6
209.15358	2.2
215.10725	1.4
215.17928	2.2
237.14861	4.6
237.18510	1.2
241.19618	2.2
243.21123	11.0
251.16431	1.9
259.20596	2.8
261.22131	29.2
262.22382	1.7
275.20020	1.4
277.14609	1.4
277.21652	13.4
279.23206	72.1
280.23477	5.4
295.22684	21.2
296.23016	1.8
297.24231	35.4
298.24554	1.9
313.23788	5.5
381.31631	1.7
395.29440	2.5
399.32617	6.8
413.30368	3.9
417.33636	19.4
418.34259	2.6
431.31543	19.3
432.31656	2.5
435.34747	19.6
436.35147	1.7
437.33920	2.4
449.32642	11.8
453.35818	7.1
537.42554	1.5
555.43884	5.8
573.45142	12.8
574.45099	3.0
591.46185	8.8
609.47498	11.2
645.43726	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	646.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.8
55.01868	0.5
55.05514	0.3
57.03423	1.2
59.30347	0.3
65.03944	2.7
65.45744	0.3
65.48914	0.2
66.15999	0.3
67.05489	0.6
69.03428	2.6
69.28909	0.9
69.29330	1.2
71.04620	0.5
71.04988	8.2
72.82767	0.3
74.01525	0.3
75.04470	0.4
81.03418	4.0
82.04195	1.2
83.04968	1.0
85.02901	13.8
87.04464	0.3
93.03374	0.6
95.04946	1.0
97.02883	1.2
97.06513	1.0
98.22572	0.6
99.04440	1.3
108.02087	0.6
109.02864	2.1
110.03664	1.6
111.04436	1.7
121.02863	4.2
123.04415	1.2
125.06001	1.4
127.03861	0.4
129.05470	4.5
131.04930	0.3
135.04344	0.3
137.05927	0.8
138.03082	1.1
139.03914	0.5
140.04668	3.6
142.02602	1.7
146.08109	2.3
147.04411	0.4
147.06511	2.2
151.03885	0.9
153.01816	3.7
153.05453	1.8
154.02144	1.0
155.07031	2.1
161.05988	0.4
164.09196	3.8
165.05464	0.4
167.07028	0.4
171.06522	2.4
179.06926	0.3
181.04944	100.0
182.05287	4.0
185.08136	0.6
199.05991	3.6
199.07648	0.5
203.06941	0.4
207.06551	1.5
223.05960	0.4
231.06451	0.6
235.05986	6.9
236.06351	0.6
247.09605	0.6
249.07648	0.5
251.05489	0.8
262.21863	0.3
263.09109	0.3
265.07132	0.8
283.08154	0.6
291.08694	0.6
309.09647	8.7
310.09943	0.5
325.09152	4.1
327.10840	0.9
343.10208	8.0
344.10431	0.8
462.36703	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.5
55.01861	2.4
55.05508	8.1
55.33084	0.6
57.03181	1.0
57.03435	11.6
57.07067	1.7
61.02910	2.4
65.03938	1.1
67.05502	39.2
68.05817	0.6
69.03416	1.4
69.07066	13.5
70.07355	0.8
70.31896	1.0
70.32233	1.4
71.01343	2.1
71.04987	3.9
73.02911	1.2
79.05490	28.6
79.05952	1.6
80.05806	0.8
81.03415	3.2
81.07054	36.0
83.04976	6.6
83.08620	7.6
83.26381	0.6
85.02898	1.8
85.06544	3.1
91.03948	0.8
91.05471	12.9
92.05820	0.8
93.07040	37.6
94.07391	0.7
95.04974	5.1
95.08589	8.9
97.02859	1.3
97.06521	8.9
97.10164	5.3
99.08085	2.6
105.04477	0.8
105.07027	5.4
107.04941	1.5
107.08590	25.1
108.08872	0.9
109.06503	1.8
109.10146	4.5
111.08080	3.1
117.06986	4.6
119.08585	4.3
121.06529	1.3
121.10143	10.2
123.08094	1.0
123.11703	1.6
125.05988	1.1
125.09608	1.5
131.08533	3.5
133.10149	5.1
135.08015	1.4
135.11684	25.2
136.12029	1.1
137.09622	1.3
145.10135	5.1
147.04408	0.9
147.11629	1.0
149.02383	1.3
149.13242	13.1
151.11176	1.0
153.12703	0.7
159.11662	5.1
163.11153	2.8
177.05429	1.0
177.12756	2.5
181.12256	4.6
193.04979	2.0
195.13765	4.3
199.13191	0.7
212.52336	0.6
213.14738	0.8
255.15913	35.0
256.16254	1.3
269.17468	29.1
270.17871	2.0
279.66354	0.6
429.11816	1.6
449.28967	100.0
450.29337	10.7
537.80878	0.8
647.34003	1.4
675.30756	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.8
55.01866	2.1
55.05513	8.8
57.03189	0.6
57.03443	10.7
57.07076	1.1
58.69520	0.5
61.02926	2.2
65.03938	1.7
67.05505	35.6
69.03428	1.5
69.07068	11.8
69.41164	0.5
71.01343	2.2
71.04984	2.7
71.08636	0.7
71.32730	0.9
73.02928	1.0
79.05493	27.6
81.03410	3.2
81.07057	33.8
82.07391	1.0
83.04965	5.9
83.08618	6.4
85.02888	1.8
85.06560	2.9
86.09742	0.8
91.03975	0.8
91.05482	12.5
93.07046	34.2
94.07373	0.7
95.04965	4.3
95.08607	8.5
97.02891	1.2
97.06526	8.4
97.10165	5.6
99.04431	0.8
99.08083	2.0
105.07021	4.5
107.04973	1.2
107.08591	22.6
109.06516	1.5
109.10180	4.1
111.08060	3.3
117.07036	4.7
119.08580	4.5
121.06517	1.1
121.10143	8.0
123.08083	1.1
123.11699	1.1
125.09623	1.3
127.07577	0.6
131.08566	2.8
133.10132	4.2
135.08058	1.4
135.11694	22.5
136.12000	1.0
137.05960	0.7
137.09627	1.0
139.11139	0.8
143.08661	0.7
145.10138	3.5
147.04427	0.6
147.11627	0.9
149.02333	0.9
149.05872	0.6
149.09636	0.9
149.13243	10.0
151.07465	0.8
151.11113	0.7
153.12743	0.9
159.11659	5.1
163.11186	2.0
173.13153	0.6
177.05565	0.7
177.12766	1.8
179.08730	0.6
181.12190	4.8
184.07365	0.7
193.04977	1.0
195.13785	3.8
255.15910	33.1
256.16296	1.2
269.17477	26.8
270.17529	1.2
288.16763	0.6
315.74680	0.6
429.11823	1.4
430.11777	0.8
431.27673	0.8
449.28986	100.0
450.29230	10.5
647.35260	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.4532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.6
54.31446	1.2
55.01876	10.9
55.05260	2.1
55.05516	38.8
57.07070	5.1
59.04992	1.8
64.83636	1.0
65.03951	1.6
67.05505	35.3
67.45515	1.1
67.56148	1.0
69.03428	7.0
69.07066	21.1
69.46081	6.1
71.04990	4.8
73.19009	1.2
79.05493	27.3
81.03413	1.5
81.07060	37.6
83.04983	5.0
83.08620	32.1
83.09103	2.1
84.08974	1.3
85.06556	5.2
87.04462	2.1
91.05473	18.6
92.05833	1.5
93.06465	1.8
93.07046	29.3
94.07385	1.5
95.04987	5.4
95.08611	30.3
97.02902	3.6
97.06538	4.4
97.10170	56.8
98.10535	2.0
99.08096	2.7
101.02371	1.9
105.07033	14.7
106.07375	1.6
107.04915	1.8
107.08591	33.2
107.52750	1.3
109.06497	2.1
109.10164	17.0
111.04446	1.3
111.08083	4.6
111.11719	1.8
115.03910	2.0
117.03371	1.3
117.07027	4.8
119.08586	18.4
121.09273	1.8
121.10149	35.6
122.10452	1.7
123.08092	5.2
123.11712	6.5
125.02353	7.2
125.08707	2.4
125.09635	49.1
129.05475	24.6
129.06978	2.1
131.08588	8.9
133.10115	19.7
135.04382	1.2
135.08105	5.5
135.11693	16.9
137.09612	7.2
137.13266	1.9
139.07607	1.4
139.11197	4.3
143.03345	1.7
143.08539	2.3
143.10619	2.3
145.02881	2.4
145.10103	8.6
147.08087	2.7
147.11693	13.5
149.09657	5.9
149.13239	6.1
151.11203	6.4
153.05412	1.3
153.09108	6.8
153.12761	2.1
157.04973	6.2
157.10141	2.3
159.11725	5.5
161.09636	2.4
161.13266	6.9
163.11182	1.6
163.14848	2.3
165.12712	1.2
167.10704	1.6
171.10184	6.7
171.11703	4.0
173.13251	3.2
175.06055	8.3
175.14842	4.8
177.05508	4.9
177.16380	4.2
177.21378	1.4
179.14326	1.5
185.13316	3.9
187.14822	2.6
189.11223	75.5
189.16304	5.5
191.17950	1.5
195.06601	1.8
197.13336	1.3
198.59299	1.1
201.16360	6.0
203.17995	6.8
207.17451	2.0
209.15668	1.2
211.09709	1.5
211.14775	1.3
213.16437	5.0
215.17967	5.1
217.19579	7.6
221.19058	1.5
231.17453	4.9
235.20563	8.7
237.14842	1.6
241.19463	1.1
247.16953	2.0
249.18538	16.3
250.18831	1.7
253.21713	6.2
261.18417	2.1
267.19608	1.6
279.23273	1.7
369.27780	6.0
377.29947	1.6
387.28989	16.7
388.29230	1.7
391.33679	1.8
405.30002	100.0
406.30319	11.3
409.34546	4.5
411.32523	1.5
423.25293	2.7
423.31046	53.0
424.31210	5.7
437.34262	13.3
441.32468	2.5
617.44397	1.2
646.36383	1.2
647.37439	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	646.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92103	1.2
53.03937	2.3
55.01873	3.7
55.05290	1.6
55.05513	16.1
56.03290	1.1
57.07063	4.2
59.04996	3.1
65.03947	1.5
66.44658	1.1
67.05164	2.3
67.05505	32.7
67.05862	2.1
69.03413	2.2
69.07069	19.3
71.04989	4.1
79.05495	33.2
80.05813	1.4
81.03417	3.9
81.07053	36.5
82.07384	1.7
83.04974	5.2
83.08618	19.6
85.06535	4.2
91.05474	26.8
93.06437	2.2
93.07041	39.0
94.07391	1.5
95.04989	6.1
95.08022	1.7
95.08602	26.7
95.89136	1.1
97.02903	1.8
97.06512	7.7
97.10167	17.8
99.04424	1.5
99.08092	2.7
105.07024	15.1
107.08593	27.1
108.08922	1.6
109.06538	3.9
109.10157	11.7
111.08092	7.7
114.68396	1.3
117.07016	8.8
119.08569	20.5
121.06509	3.4
121.09264	2.4
121.10140	49.4
122.10438	2.4
123.08100	6.5
123.11706	4.5
125.02328	1.9
125.09609	15.2
129.05476	7.2
129.06975	2.6
131.08554	13.4
133.06493	1.5
133.10115	24.5
134.10385	1.9
135.08072	5.9
135.11693	18.1
136.69360	1.1
137.09608	16.5
139.07564	2.1
139.11172	7.3
141.05423	1.4
143.08594	2.6
143.10623	1.3
145.02855	2.4
145.06459	1.4
145.10080	9.1
147.08038	2.8
147.11667	13.7
149.05986	1.3
149.09592	8.0
149.13232	3.4
151.07510	1.4
151.11172	6.9
153.09100	4.4
153.12694	1.4
157.04953	3.0
157.10143	4.4
157.12291	2.0
159.11653	4.4
161.13245	4.2
163.11201	2.5
163.14857	1.3
165.09122	2.5
165.12744	2.3
167.10695	2.7
171.10310	1.5
171.11739	3.8
173.09552	1.9
173.13216	2.7
175.06020	1.6
175.11134	1.8
175.14777	2.5
177.05490	4.1
177.09167	1.3
177.16347	2.1
183.11734	1.1
185.13168	2.4
187.11014	1.6
187.14799	2.0
189.11238	14.9
189.16412	2.0
192.25240	1.2
193.12183	1.7
195.13789	1.5
199.14816	2.0
201.16402	2.6
203.14182	1.2
203.17990	5.5
211.14984	1.5
213.16414	11.2
215.17892	2.3
217.19504	1.9
225.09097	3.0
229.15862	1.4
231.17409	17.6
232.17682	1.2
235.17035	1.8
237.14799	2.9
238.15146	1.7
249.18483	50.4
250.18893	3.4
253.21799	2.0
256.26532	1.2
263.19836	1.3
267.19586	4.9
277.21741	2.1
279.23172	1.7
285.20667	2.1
318.45303	1.2
369.27823	3.8
387.28882	23.0
388.29025	1.7
405.29987	100.0
406.30505	9.6
409.35101	1.2
423.31042	52.2
424.31476	4.9
437.33731	3.0
441.32098	3.5
505.38748	4.7
506.38446	1.4
536.65497	1.2
594.72717	1.4
629.34180	1.5
646.37677	4.1
647.36884	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	646.4887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
55.01872	10.5
55.05508	23.9
57.03444	2.6
57.07077	3.9
58.57737	1.3
59.05000	4.3
65.03916	1.8
67.05502	44.3
69.03438	3.3
69.07072	16.9
71.05000	4.1
71.08615	2.9
79.05488	21.2
81.03415	3.1
81.07054	36.4
83.04990	3.7
83.08607	20.9
85.06544	2.2
87.04463	1.9
91.05471	15.9
93.06461	1.8
93.07047	25.5
95.04989	4.6
95.08605	100.0
96.08923	3.6
97.02896	4.3
97.06538	6.5
97.10161	21.6
99.08103	3.0
105.07026	16.0
107.04957	1.3
107.08591	22.2
107.09256	2.1
109.06567	4.1
109.10153	45.4
111.08079	2.8
111.11709	1.7
115.03934	1.9
115.95631	1.3
117.03374	3.4
117.07024	2.6
119.08585	16.0
121.06522	1.7
121.10155	20.9
123.08081	10.2
123.11696	8.2
125.02363	6.0
125.09628	18.7
127.11182	24.5
129.05470	23.1
129.06981	2.7
131.08554	9.9
133.10136	15.3
135.08069	4.0
135.11708	14.8
137.09605	4.6
137.13278	2.5
139.11150	3.0
141.09148	2.6
143.03419	2.3
143.08592	3.3
145.02876	7.9
145.10118	10.0
145.11052	1.2
147.11700	15.1
149.09599	4.5
149.13242	7.6
151.11186	3.9
153.09088	11.9
157.04977	5.0
157.10165	2.1
159.10179	7.9
159.11728	9.5
161.13266	6.8
163.11049	1.4
163.14867	3.6
165.12712	1.6
167.10666	2.3
171.10229	2.4
171.11691	3.8
173.11778	1.5
173.13301	4.6
175.06052	8.7
175.14761	6.4
177.05467	16.0
177.16405	4.0
181.12222	1.4
185.13269	2.6
187.13274	3.8
187.14876	4.9
189.11211	14.1
189.16365	8.3
195.06589	4.6
197.13199	1.5
201.16466	6.0
203.17940	8.0
203.56006	1.4
205.15956	2.1
213.16408	2.2
215.18033	6.6
219.13805	2.0
237.14764	2.3
241.19516	3.3
243.21103	4.8
247.16928	2.1
249.18567	4.0
251.20100	2.7
261.18613	4.2
261.22180	7.2
262.79388	1.5
279.19553	5.1
279.23193	18.4
280.23468	2.7
287.20151	1.8
297.20621	12.3
297.24283	17.5
311.22110	2.9
395.29483	3.4
403.31519	1.7
405.29941	5.7
409.34692	4.5
411.32623	3.7
413.30411	3.2
419.31851	2.3
423.30753	2.7
431.31607	26.6
432.31989	2.4
435.33096	3.3
437.34131	12.3
449.32700	14.4
450.32687	2.1
453.35471	2.7
467.33795	3.0
505.38486	6.9
506.38458	1.5
547.43378	1.5
557.41724	4.0
575.42914	7.7
576.42889	1.7
593.44232	11.3
594.44025	2.0
646.36609	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
57.80273	0.6
71.33871	0.6
72.78850	0.5
73.25866	0.6
79.05472	0.5
81.07099	0.6
93.07062	0.7
94.59998	0.5
103.05527	0.7
107.04959	0.8
107.08639	0.5
133.06532	0.6
137.06030	0.8
151.03946	0.8
167.07127	1.8
191.07057	0.7
193.08665	1.7
194.08974	0.6
195.10258	1.0
325.10818	1.4
360.09665	0.9
418.15588	0.7
430.76614	0.7
450.12677	4.0
451.13696	1.1
461.12497	0.7
587.18884	1.8
603.34467	0.9
629.36365	0.8
647.20905	100.0
647.36267	5.0
648.21179	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	647.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.4
55.01862	1.3
65.03929	2.4
67.05484	1.0
69.03418	0.6
69.37719	2.6
70.04156	0.4
71.01345	0.5
75.04472	1.0
78.04704	2.0
79.05495	2.1
80.23627	0.3
81.03422	0.4
81.07046	1.2
85.02895	1.0
89.03928	0.5
91.05474	7.3
92.05791	0.4
93.03400	4.2
93.07046	3.6
95.04961	2.5
97.06514	1.3
98.23308	0.7
103.05462	3.9
105.03396	1.1
105.04547	0.5
105.07014	3.6
106.04171	12.7
107.04997	2.3
109.06496	1.5
110.03648	0.4
111.04411	0.6
115.05408	0.4
118.04137	0.8
119.04937	1.4
121.06502	14.8
123.04419	6.0
123.08065	0.7
124.05174	1.7
125.05997	3.4
131.04910	1.3
133.02832	0.8
133.06480	3.2
134.03584	2.4
135.04382	1.2
135.08025	1.1
136.05147	0.4
137.05980	3.9
138.06720	0.5
139.03943	0.6
139.07523	1.1
145.02885	0.7
145.06407	0.4
147.04414	0.9
147.08002	0.4
148.05170	1.4
149.05975	20.8
150.06537	0.9
151.03876	1.5
151.07533	3.8
152.04625	1.4
152.08380	0.4
153.05441	1.7
153.09100	4.0
155.07047	0.6
161.05978	3.3
163.07501	1.1
165.05446	1.5
165.09085	1.9
166.06258	2.2
167.07031	100.0
168.07359	3.9
177.05479	9.8
177.08990	0.4
178.05994	0.4
179.07025	1.3
180.04141	0.4
180.07762	0.8
181.04979	10.4
181.08589	17.7
182.05302	0.5
182.08975	0.8
191.07040	1.2
193.04897	1.0
193.08600	10.5
195.06511	0.8
197.07906	0.4
203.06985	0.7
207.06540	1.2
208.07304	1.2
209.08080	31.8
210.08383	1.8
211.09645	42.0
212.10143	1.9
220.27324	0.4
223.09666	0.5
225.07591	4.6
255.12175	0.4
306.18164	0.3
355.11618	1.3
383.12357	0.4
385.12723	0.9
458.62830	0.4
629.20190	0.4
647.24670	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41037	0.2
55.05508	0.9
67.05499	2.1
69.03397	0.3
69.07068	0.9
71.05000	0.4
75.09525	0.2
79.05472	1.3
80.05830	0.3
81.07050	2.5
83.04995	0.3
83.08632	0.7
91.05455	1.2
93.07042	1.5
95.08593	1.8
97.06524	0.5
97.10154	0.3
105.07030	0.8
107.08591	1.1
109.06538	0.3
109.10155	0.9
111.08085	0.5
111.53170	0.2
119.08606	0.8
121.10146	1.0
123.08060	0.4
123.11705	0.5
125.06056	0.2
131.08623	0.6
133.10071	0.5
135.11630	0.4
137.09682	0.4
139.11200	0.5
145.02846	0.4
145.10123	0.6
147.04446	0.4
147.11676	0.4
148.41359	0.2
149.09656	0.3
151.11176	0.4
153.09219	0.3
159.11726	0.3
171.11720	0.3
173.13283	0.4
175.14799	0.3
177.05470	0.3
181.12289	0.2
185.04323	0.4
187.14865	0.3
203.05235	0.4
206.08073	0.2
243.08418	0.5
249.18729	0.3
261.22214	0.5
279.23276	1.1
297.24228	0.5
399.74908	0.3
429.25897	1.3
446.81592	0.2
449.30621	0.3
466.32755	0.2
467.32025	0.4
483.30984	0.2
485.28635	1.6
503.16437	0.2
647.33948	100.0
648.34296	12.6
659.61462	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.7
62.16439	0.6
67.05492	1.6
69.07051	1.3
69.49815	3.6
79.05489	2.5
79.64388	0.6
81.07052	2.7
83.08621	0.9
89.03924	1.9
91.05500	1.4
93.07051	2.5
95.08598	3.0
97.10143	1.2
105.07018	1.6
107.04991	0.8
107.08601	2.2
109.10122	1.6
117.03387	2.1
119.04857	0.7
119.08581	2.1
121.10149	1.7
125.09718	0.6
131.08566	1.2
133.10100	1.6
135.04420	3.2
135.08080	0.6
135.11717	0.9
137.09581	0.9
145.02867	2.4
145.10107	0.9
147.04430	2.0
147.11673	0.7
159.11653	1.1
161.13248	1.1
163.03899	15.7
166.10027	0.6
173.13297	0.8
177.05502	0.7
187.14845	0.7
189.16457	0.9
213.67256	0.7
223.14587	0.7
243.08223	0.8
243.17647	0.7
401.15936	0.6
429.25983	1.7
449.30524	1.0
467.31671	1.4
485.32761	1.3
515.50140	0.7
613.08862	0.7
647.33942	100.0
648.34259	13.7
648.44232	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.3
55.05505	1.0
56.09152	0.5
58.04213	1.1
59.05001	3.5
67.05505	2.5
69.03419	0.9
69.07075	1.4
71.04987	2.4
75.04480	100.0
76.04803	1.4
79.05492	3.1
81.03418	2.1
81.07064	5.1
83.04975	1.1
83.08661	0.7
85.06527	0.7
90.20219	0.7
91.05478	3.7
93.07047	2.9
95.04971	1.6
95.08607	1.9
97.06538	1.6
105.07034	2.0
107.04905	0.8
107.08636	1.5
109.06528	4.6
109.10147	1.2
113.06003	2.0
119.08558	1.4
121.06503	1.9
121.10155	2.3
123.08080	1.1
125.06023	1.4
129.07034	0.7
130.95946	0.6
131.08594	1.3
133.10147	1.3
135.11681	0.7
137.06068	1.1
137.09610	2.4
139.11096	1.0
141.05450	1.3
143.08591	0.7
145.10110	1.2
147.08047	1.4
149.05933	0.8
149.09625	1.6
151.11189	0.7
153.05518	2.0
159.08072	0.7
161.06052	0.7
161.09598	1.2
163.07561	0.7
163.11244	0.8
165.09157	1.8
167.03375	0.7
167.10622	0.7
171.08134	0.7
171.11691	0.7
175.07574	1.4
177.05602	0.7
177.09148	0.9
179.07140	0.7
183.10231	1.1
185.09602	0.8
187.07549	0.8
189.09134	1.9
191.07025	1.8
192.07816	0.9
193.08600	4.8
193.10107	0.7
201.12729	0.7
203.07109	0.9
205.08627	2.4
207.10217	1.2
207.13857	1.3
209.08127	2.0
209.15346	0.8
211.09647	8.0
213.09186	0.6
215.10767	0.7
219.13806	1.2
221.07924	1.3
223.09637	1.4
225.11229	0.9
231.10144	3.7
231.13889	0.8
235.13359	2.0
237.14832	4.2
245.11778	1.1
247.09612	1.1
247.13356	1.1
249.11111	3.5
257.11795	1.8
261.11099	0.6
264.13452	0.6
265.14456	1.1
275.12759	1.0
283.13364	2.4
285.14923	0.9
301.14349	5.4
319.15414	9.8
355.19165	1.1
373.20096	5.0
429.22778	1.1
485.25623	1.5
529.61346	0.6
532.41034	1.3
537.28394	0.9
549.41620	1.7
555.29517	10.2
556.29645	1.1
629.36243	0.9
647.35229	8.4
647.45636	0.8
648.35144	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42768	0.7
53.03927	1.3
53.60926	0.7
55.01882	2.1
55.05510	1.4
57.07072	1.4
58.04230	0.9
59.05000	3.4
67.05492	3.8
69.03435	1.2
69.07068	1.5
71.05004	2.5
73.34914	0.7
75.04484	100.0
76.04816	1.8
79.05486	6.0
80.89909	0.7
81.03431	2.7
81.07058	9.7
83.01344	1.6
83.04983	1.4
83.08627	1.4
85.02932	1.1
85.06540	1.1
91.05489	6.1
92.40957	0.7
93.07063	4.2
95.04980	3.3
95.08606	2.1
97.06530	2.7
103.02343	0.7
105.07037	3.1
107.08617	2.1
109.06512	6.4
109.10177	2.0
111.04447	0.9
111.08046	1.0
113.06015	2.6
117.07036	1.8
119.08597	3.0
121.06530	2.8
121.10168	2.1
123.04470	1.3
123.08070	1.0
123.11751	1.4
125.05988	1.1
131.08582	1.4
133.06505	1.2
133.10144	2.5
135.08069	1.1
137.05986	2.0
137.09636	4.0
139.11218	2.2
141.05435	1.5
143.08574	1.6
145.06467	0.8
145.10153	2.1
147.08078	2.3
149.09608	1.3
151.11182	1.1
153.05501	3.4
157.10106	1.0
159.08101	1.6
159.11639	0.9
161.06079	1.0
161.09651	2.0
162.10223	0.8
163.07573	1.2
165.09189	3.1
169.04970	0.9
171.08038	0.8
175.07591	2.4
177.05412	1.5
177.09068	1.7
179.08681	0.8
183.10315	0.9
185.09583	1.3
187.07591	1.3
189.09114	2.9
191.07074	2.8
192.07901	1.5
193.08607	9.2
199.11139	0.7
203.07007	1.6
205.08635	4.8
207.10185	1.6
209.08116	1.9
211.09612	10.0
211.11320	1.0
213.09134	1.2
213.12851	1.2
219.13902	1.0
221.08055	2.0
223.09695	1.3
225.11217	1.6
229.08606	1.7
231.10184	3.7
235.13313	1.6
237.14853	5.2
238.93092	0.7
239.10867	1.0
241.12285	0.9
247.09694	1.1
247.13348	1.7
249.11353	4.6
255.13959	1.2
257.11694	1.8
263.12933	1.1
265.14444	1.9
269.11929	0.9
275.12936	1.8
283.13428	2.7
297.11316	1.7
301.14355	7.4
319.15417	12.1
320.15842	0.9
332.73318	0.7
367.15353	1.4
373.20062	4.5
385.16141	1.0
429.22699	2.7
485.25348	0.9
537.28595	1.6
549.42078	1.1
555.29474	6.6
556.30078	0.8
629.35541	1.2
647.35187	4.0
648.35907	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.1
55.01882	2.2
55.05510	0.9
57.07066	0.8
59.05002	2.0
65.03952	0.8
67.05500	2.0
68.99792	0.9
69.03426	1.3
69.07063	1.4
71.04996	2.4
73.39070	0.8
75.04478	100.0
75.38154	0.9
76.04839	2.0
79.05493	3.3
81.03420	1.5
81.07048	5.9
83.01352	1.1
87.04433	1.0
91.05475	4.9
93.07050	2.9
95.04984	1.6
95.08621	1.9
97.06545	1.3
105.07021	2.3
107.08613	1.5
107.22798	1.0
109.06551	5.7
113.06012	2.4
117.07018	1.5
119.08569	2.0
121.10149	2.6
123.08101	1.7
125.05985	1.4
129.06985	1.1
132.03882	0.9
133.06476	1.5
133.10136	1.7
135.08049	1.8
137.05988	1.1
137.09615	2.7
139.11200	1.9
141.05490	1.2
145.10130	1.2
147.08104	2.0
149.09651	1.3
153.05495	2.3
161.09621	1.5
163.07547	1.5
165.09120	2.4
167.03360	1.1
175.07564	2.5
177.09236	1.3
179.10693	1.2
187.07466	1.4
189.09052	1.9
191.07037	2.8
192.07794	1.3
193.07057	1.3
193.08588	6.5
201.12787	1.9
201.16335	1.5
203.07016	0.9
203.10645	1.0
205.08606	3.5
207.10194	1.7
209.08148	2.1
209.15417	1.1
211.09619	6.7
213.09105	0.9
219.13786	0.9
221.08076	1.2
229.08646	1.1
231.10139	4.9
237.14897	3.9
239.10770	1.4
241.12334	1.2
245.11786	1.4
247.13286	2.1
249.11234	3.4
255.13931	1.4
257.11746	2.5
261.11359	1.0
263.12720	1.0
265.14438	2.7
283.13239	2.2
285.15030	1.0
301.14337	5.8
319.15356	11.8
373.20081	3.0
385.16580	1.9
416.76306	0.9
429.22845	1.5
485.25473	1.2
555.29596	9.1
556.29767	1.2
604.87701	0.9
647.34698	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	647.342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.2
55.01859	1.4
55.05507	2.1
57.07091	1.0
59.05006	2.0
67.05502	3.8
68.99807	0.9
69.03432	0.7
69.07066	1.7
69.28409	4.9
71.04989	3.2
75.04481	100.0
76.04813	1.1
79.05486	4.5
81.03431	1.9
81.07063	7.2
83.01335	1.1
83.04998	1.2
83.08596	1.1
85.06535	0.8
91.05490	4.7
93.07057	4.1
93.52169	0.8
95.04974	2.6
95.08613	3.2
97.06540	3.5
105.07062	4.0
107.08597	2.9
109.06509	3.9
109.10146	2.4
113.06020	3.0
117.06999	1.0
119.08585	2.6
121.06487	1.8
121.10149	3.2
123.08073	1.5
123.11710	1.2
129.07079	1.0
131.08600	2.1
133.06465	1.3
133.10146	2.4
135.08081	2.1
135.11687	1.0
137.05963	2.6
137.09604	1.8
139.11171	2.0
145.10138	1.2
147.08055	1.4
147.11752	0.7
149.09642	1.5
151.07532	0.8
151.11253	0.7
153.05457	3.6
153.09052	0.9
157.04929	1.3
159.08073	1.5
159.11728	1.5
161.09599	1.5
163.07581	0.8
165.09132	2.6
167.03404	1.6
169.05042	1.1
173.97951	0.8
175.07533	2.3
177.05537	1.5
177.09149	1.6
179.06973	1.0
183.10187	1.0
183.11726	1.4
187.07535	1.1
189.09149	1.8
191.07074	3.4
192.07843	1.5
193.08595	6.3
201.16423	1.8
203.10727	1.0
205.08669	2.2
207.10117	1.5
207.13889	0.8
209.08064	1.7
209.15405	1.3
211.09583	8.0
211.13319	0.9
213.09212	1.9
215.14316	1.0
219.13768	1.0
219.17453	1.4
221.08131	1.5
223.09683	1.1
231.10211	3.3
235.13298	1.2
237.14821	4.9
243.10229	0.8
245.11810	1.5
247.09691	0.9
247.13387	1.9
249.11299	3.3
255.13701	0.9
257.11844	1.4
259.13474	1.6
265.14484	2.4
275.12769	1.2
278.49814	0.8
283.13345	2.4
285.14920	0.9
293.13971	1.0
297.11282	2.1
301.14417	4.7
319.15436	9.6
322.70947	0.8
355.19357	1.0
373.20068	5.4
385.16470	1.6
429.22452	2.0
485.25662	1.1
537.28497	1.1
549.41553	1.6
555.29504	9.9
556.29657	1.6
629.35895	2.5
647.34521	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	647.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.3
55.05495	0.3
62.81255	0.1
63.02346	0.6
67.05470	0.7
69.07045	0.5
69.61230	0.4
69.61646	0.6
79.05485	1.9
81.07047	0.9
83.04934	0.2
83.08581	0.4
89.03910	9.2
90.04232	0.2
91.05434	0.6
93.07015	0.7
95.04943	0.4
95.08607	1.2
95.32279	0.2
97.06490	0.2
97.10133	0.2
105.04493	0.3
105.07021	0.8
107.04936	2.3
107.08578	0.8
107.73869	0.2
109.06447	0.3
109.10109	0.6
117.03372	10.7
118.03696	0.4
119.04957	0.3
119.08578	1.0
121.10147	0.7
123.08038	0.2
123.11673	0.2
125.09600	0.2
131.08566	0.3
133.10100	0.6
135.04402	19.8
135.11676	0.3
136.04707	0.7
143.08524	0.3
145.02838	13.7
145.10103	0.4
146.03178	0.6
147.04399	0.5
147.11656	0.5
153.09219	0.2
155.08656	0.2
157.10107	0.4
159.11658	0.3
161.13277	0.2
163.03886	100.0
163.14850	0.2
164.04218	3.4
166.20280	0.2
171.11678	0.3
173.13231	0.4
175.11140	0.2
175.14842	0.4
176.55725	0.2
186.05501	0.3
187.14729	0.3
189.16327	1.3
197.13264	0.2
199.14824	0.3
215.14117	0.2
217.15903	0.2
235.16843	0.2
269.90546	0.2
277.21826	0.2
421.30893	0.3
439.31799	0.9
449.30594	0.2
467.31564	0.6
485.32742	1.9
486.32642	0.3
527.32458	0.2
647.35773	5.5
648.36084	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	6.1
57.07078	2.4
63.76902	1.1
67.05508	10.5
68.05845	1.5
69.07066	7.7
69.33791	8.9
71.04989	1.9
78.50143	1.0
79.05483	9.0
81.07051	20.3
83.04961	1.3
83.08622	5.4
89.03916	8.9
91.05474	10.5
93.07047	12.7
93.76395	1.1
93.89741	1.2
95.04951	1.6
95.08598	18.9
96.08952	1.4
97.06557	1.9
97.10181	2.3
105.07024	14.0
107.08591	18.0
109.06541	2.9
109.10155	10.2
111.08081	1.5
117.03374	20.0
117.07062	2.5
119.08574	20.9
121.06499	1.9
121.10153	15.0
123.08083	2.4
123.11697	6.4
125.05985	1.7
125.09583	2.1
127.07533	2.7
129.07071	3.1
130.07767	1.2
131.08568	5.8
132.86041	1.2
133.06519	1.4
133.10135	12.8
134.03607	2.5
135.04405	1.6
135.08051	1.2
135.11700	11.4
137.09604	1.3
137.13257	2.0
143.08545	3.5
145.01683	2.6
145.02841	48.4
145.10112	8.9
146.03137	2.2
147.04388	1.9
147.11693	7.8
149.05966	9.0
149.13243	6.8
151.07594	1.4
151.11165	1.7
151.14777	1.3
153.05409	1.6
155.08507	1.6
157.10158	4.4
159.11694	7.3
161.09729	1.3
161.13266	5.8
163.03937	3.3
163.14838	4.2
165.09082	3.6
167.10698	1.3
169.10130	3.6
171.11679	4.3
173.13240	7.0
175.14815	9.3
177.05461	100.0
177.16405	7.3
178.05942	2.7
183.10240	1.6
183.11716	3.3
185.13333	6.7
186.05470	1.8
187.14886	7.6
189.16385	11.2
191.17909	1.3
195.06529	25.5
195.80664	1.2
197.13289	3.1
199.14841	5.2
201.14725	1.6
201.16411	15.0
203.17975	8.8
205.12271	1.7
205.15874	4.1
207.17407	1.3
211.14966	3.6
213.16377	9.6
215.17970	3.9
223.15056	1.2
225.16235	1.4
231.13872	1.4
235.13205	2.0
239.17946	2.2
245.15332	1.6
253.19609	1.8
259.16977	3.3
267.21082	1.7
279.23257	2.7
298.67337	1.3
299.20145	1.3
325.21469	1.2
327.22794	1.6
389.32001	4.0
407.33014	4.7
409.30817	5.7
422.91357	1.2
435.32565	16.8
436.33197	2.6
611.31604	1.5
624.30988	1.4
629.33594	2.6
647.33331	4.1
647.43030	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25772	0.7
51.01616	0.6
55.05515	3.2
57.07074	1.6
67.05496	4.8
69.07072	3.3
69.24965	4.8
78.58521	0.6
79.05487	4.3
81.06615	1.1
81.07054	11.5
83.08614	5.0
88.88332	0.6
89.03909	7.6
91.05480	5.6
93.07044	8.3
95.04934	0.8
95.08610	10.4
98.23335	1.3
100.98273	0.5
103.05447	0.9
105.07028	9.4
107.08578	9.9
109.06529	1.4
109.10155	4.9
117.03377	18.7
117.07026	1.6
119.08584	13.1
121.10139	8.8
123.08127	0.7
123.11719	5.2
125.06006	0.6
127.07561	1.9
128.06230	0.6
129.06987	1.2
131.08565	5.4
133.10126	8.5
134.03659	1.8
135.04425	1.8
135.11703	6.9
137.13269	1.6
141.06992	0.9
143.08543	2.2
145.02847	46.4
145.10118	10.2
146.03192	2.4
147.11682	6.1
149.05983	9.0
149.13235	5.2
155.08572	0.7
157.10101	2.2
158.10905	0.7
159.11678	6.4
161.13254	4.0
162.03183	1.3
163.03893	2.3
163.07524	0.7
163.14819	2.3
169.10146	1.5
171.11697	3.2
173.13194	3.0
175.14810	5.1
177.05472	100.0
177.16399	4.8
178.05769	3.6
181.10083	0.9
183.11714	2.0
185.13228	5.0
186.05482	1.2
186.13977	1.0
187.14792	6.7
189.16374	7.0
191.17961	1.8
195.06529	33.6
196.06848	0.9
197.13277	2.3
199.14816	3.7
201.16371	10.9
202.16745	1.2
203.17931	6.3
205.15816	1.3
207.17438	0.9
209.13292	1.0
211.14799	2.3
213.16359	6.9
215.14360	0.9
215.17923	2.3
219.17372	0.9
223.14746	0.7
225.16344	1.2
227.17863	1.0
231.13812	0.8
239.17928	1.7
241.19566	1.2
245.15280	1.4
247.16881	1.5
253.19435	1.2
257.15466	0.9
257.93713	0.7
259.16919	4.6
285.18512	0.8
299.19922	0.9
363.30225	0.8
389.31955	3.5
407.33188	3.1
409.30923	5.8
410.31067	0.9
433.91119	0.6
435.32578	16.2
435.38440	1.0
436.32684	2.2
662.23846	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.7
54.95538	0.5
55.05512	3.9
57.07086	1.2
63.02373	0.8
65.03941	0.6
67.05216	0.6
67.05510	6.8
68.69358	0.5
69.03417	0.8
69.07070	6.1
71.04993	1.3
71.17161	0.8
72.92007	0.5
77.03936	0.7
78.04714	0.7
79.05489	5.0
81.07059	11.2
83.04982	1.5
83.08605	4.5
85.06543	1.0
89.03921	8.2
91.05483	7.8
91.06343	0.6
93.07041	10.2
95.04953	1.5
95.08604	17.1
97.06536	1.8
97.10159	1.2
105.07029	17.1
106.04153	0.9
106.07353	0.7
107.08598	14.6
108.08941	0.6
109.06503	1.7
109.10155	7.7
111.04406	0.5
111.08070	1.1
111.11741	0.6
113.05979	0.8
117.03380	20.1
117.06979	3.5
119.05011	0.6
119.08577	21.0
120.08929	0.8
121.06503	1.9
121.10140	13.0
122.10492	0.8
123.08074	1.6
123.11716	3.9
125.09599	0.8
128.06331	0.8
129.06996	1.8
130.07744	0.6
131.08560	6.5
133.06485	0.9
133.10129	14.6
134.03619	2.2
134.96738	0.5
135.04378	1.7
135.08099	0.9
135.11699	6.3
137.09592	1.7
137.13271	1.3
139.11125	0.7
141.06940	0.8
142.07788	0.9
143.08571	4.1
144.09325	1.3
145.02847	47.4
145.10114	14.6
146.03152	1.4
147.08139	0.9
147.11693	7.6
149.05969	8.8
149.09665	1.4
149.13251	6.0
151.11211	1.2
153.05492	1.1
153.09120	1.0
155.08659	0.8
156.09312	1.0
157.10132	5.0
158.10930	1.2
159.11696	11.3
161.09656	1.4
161.13251	5.9
162.03128	1.0
163.03923	2.9
163.07526	1.0
163.11130	1.2
163.14844	6.1
165.09074	0.8
167.10640	1.1
169.10085	1.8
171.11690	4.5
172.12379	0.8
173.13234	5.5
175.14822	12.5
177.05473	100.0
177.12848	0.9
177.16373	5.6
178.05841	4.2
179.07054	1.0
179.10706	1.1
183.11670	1.6
185.13257	2.8
186.05519	1.2
187.14825	15.5
188.15199	1.0
189.14661	1.0
189.16389	19.9
190.16698	0.8
191.17953	3.2
195.06537	24.7
195.08344	1.2
196.06935	1.3
197.13260	2.5
199.14850	4.5
201.16385	25.4
202.16779	1.0
203.14307	0.6
203.18008	4.1
205.15886	4.9
207.17500	0.8
209.13322	1.1
209.15228	0.7
211.14836	2.0
213.16374	5.0
215.17961	3.3
217.15913	0.8
217.19542	0.7
219.17455	8.0
221.15405	0.9
222.13567	0.6
223.14894	0.8
225.16293	1.3
227.17998	2.9
229.15747	0.8
229.19547	1.1
231.13844	0.7
235.16879	2.6
237.14792	1.8
239.17935	1.6
241.19508	2.2
247.16972	5.3
253.19493	1.9
255.21021	0.7
259.17053	0.9
259.20551	0.7
261.18393	1.0
267.21094	1.8
271.16724	1.2
279.20969	1.0
293.22510	1.6
305.22925	1.0
307.24100	1.3
313.21753	1.0
325.21436	0.6
333.25882	1.2
334.61420	0.7
339.23120	0.7
341.24561	0.7
347.27310	1.4
353.24667	1.3
365.24356	0.7
367.26425	0.6
379.26242	0.9
389.32047	12.5
390.32306	1.8
392.26987	1.5
393.28033	1.2
407.33105	16.3
408.33344	1.7
409.30960	3.9
435.32565	29.4
436.32971	3.9
453.33701	2.0
477.97510	0.6
541.27832	0.8
647.37469	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	647.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.9
55.05503	3.7
56.95303	0.7
57.07072	1.4
63.69282	0.7
65.03923	3.6
66.10009	0.7
67.05497	4.7
69.07063	5.2
70.42574	1.5
70.42922	0.9
79.05496	6.5
81.07059	14.5
83.08618	3.8
89.03908	8.0
91.05482	9.7
93.03405	7.0
93.07043	9.1
95.04978	1.0
95.08606	15.7
97.10114	0.7
103.05460	1.0
105.07032	12.0
107.04964	0.8
107.07918	1.3
107.08595	13.7
109.06506	2.5
109.10169	6.3
111.04441	5.6
112.38997	0.6
117.03374	16.3
117.06989	1.8
118.00525	0.6
119.04911	3.1
119.08588	13.5
120.08932	0.9
121.10146	11.1
123.11716	6.6
125.05983	11.1
127.07567	1.9
129.07010	2.1
131.08566	7.3
133.10135	10.6
134.03644	1.3
135.04425	1.7
135.11684	9.9
137.05971	11.7
137.13257	2.1
139.07507	0.9
141.07004	0.9
142.07805	1.3
143.08588	5.2
144.09308	1.1
145.02843	44.8
145.10121	9.5
146.03146	1.9
147.11676	6.3
149.05978	9.4
149.13269	5.3
151.07516	5.1
151.11113	0.8
153.05463	32.6
154.05807	0.9
155.08612	1.3
156.09273	0.8
157.10126	4.6
158.10930	1.2
159.11710	8.1
161.13312	5.0
162.03091	0.8
163.03868	2.8
163.07570	1.0
163.14864	3.7
164.04741	1.0
169.10132	3.0
170.10820	0.8
171.11699	4.9
173.13316	3.4
175.14793	6.9
177.05467	100.0
177.16353	5.4
178.05780	3.5
179.07025	24.1
179.08632	1.1
180.07378	1.0
183.11681	2.1
185.13232	5.8
187.14795	7.1
189.16360	4.8
191.17975	1.3
195.06529	51.5
196.06845	2.1
197.13208	2.8
199.14801	5.6
201.16362	12.4
203.17961	7.4
205.15883	1.8
207.17337	1.0
209.13245	1.5
209.35843	0.7
211.14789	4.0
213.16385	12.8
215.14377	1.1
215.17960	2.8
219.17468	1.0
225.16319	1.2
227.18001	0.8
231.13763	1.1
231.17369	2.0
237.16455	0.8
239.18037	1.4
241.19461	1.5
245.15326	1.4
247.17068	0.8
251.17935	0.8
253.19466	1.3
259.16983	5.7
265.19629	0.8
267.20990	1.5
283.16934	0.9
287.20242	0.7
389.31937	3.0
405.31189	1.0
407.32999	4.5
409.30905	4.9
433.31216	1.4
435.32538	16.1
436.33005	1.3
647.36377	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.6
57.02068	0.3
67.05494	1.0
69.07060	0.4
79.05516	0.5
81.07056	0.8
89.24951	0.3
91.05488	0.3
93.07049	0.4
95.08575	0.4
98.23307	0.6
107.08624	0.3
109.10167	0.3
119.08543	0.4
121.10150	0.4
121.29707	0.3
135.11690	0.3
197.84912	0.3
203.05212	1.5
257.68845	0.3
532.40839	0.6
585.41113	5.0
586.41486	1.0
629.39996	0.7
647.41193	100.0
648.30719	0.6
648.41565	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	647.5089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.4
54.27888	0.4
55.01881	2.1
55.05240	1.0
55.05508	18.7
56.05843	0.6
57.03434	3.3
57.07075	3.6
58.19569	0.5
59.04994	1.2
62.27884	0.4
65.03934	1.9
67.05502	71.7
68.05840	1.1
69.03447	1.2
69.05733	0.4
69.07065	28.8
69.27919	1.0
69.28332	3.0
70.07401	0.7
71.04988	6.2
71.08621	1.1
73.06560	1.3
75.58157	0.4
77.03925	0.7
79.05488	30.1
80.05833	1.1
81.03425	0.6
81.07052	85.3
82.07394	2.4
83.04987	4.7
83.08615	12.8
85.06541	5.4
87.73573	0.4
89.03922	0.7
91.05470	15.2
93.07039	35.7
94.07358	0.9
95.04982	2.9
95.08602	77.7
96.08899	2.4
97.06532	7.3
97.10160	8.1
99.08086	2.0
105.04514	1.0
105.07032	14.5
106.07359	0.6
107.04932	0.6
107.08586	24.9
108.08945	0.8
109.06525	2.3
109.10149	40.1
110.10509	1.5
111.08076	4.2
111.11708	2.6
113.09644	1.2
117.03367	1.2
117.07016	3.8
119.08572	12.8
120.08945	0.6
121.06497	1.0
121.10143	24.7
122.10484	0.8
123.08060	2.8
123.11698	14.7
124.12059	0.6
125.09631	3.0
125.13316	0.6
127.07598	0.9
127.11232	0.5
129.07054	0.6
131.08566	9.8
132.08954	0.5
133.10123	11.7
135.04420	1.5
135.08066	1.4
135.11681	18.9
136.12027	1.1
137.09619	2.6
137.13242	6.7
139.11142	2.4
143.08569	1.1
145.02859	1.7
145.10115	10.2
146.10457	0.9
147.04486	0.6
147.11673	11.7
149.09618	2.0
149.13245	7.9
151.11165	3.2
151.14824	2.3
153.12756	1.7
155.10617	0.6
157.10124	1.0
159.11681	6.0
161.13245	9.6
162.13576	0.8
163.03905	7.8
163.11195	1.6
163.14815	4.4
165.12758	2.7
165.16377	1.1
167.14278	0.8
169.12192	0.8
171.11670	0.8
173.11743	1.8
173.13263	5.9
174.13579	0.5
175.14801	4.1
177.05457	0.7
177.12732	1.1
177.16383	2.2
179.14255	2.8
181.12166	0.6
181.15756	0.7
183.11688	0.6
183.13724	0.4
185.13226	1.1
187.13232	0.9
187.14760	5.2
189.11192	0.7
189.16382	1.9
191.14333	1.3
193.15912	0.7
195.13788	1.3
201.14745	0.6
201.16400	1.6
203.17889	0.6
205.15935	1.0
209.15366	2.3
215.16158	0.5
215.18022	0.8
223.16917	1.6
233.22513	0.8
237.18576	0.8
241.19330	0.6
243.21072	11.2
244.21410	1.0
251.23628	0.6
259.20630	0.9
261.22119	29.6
262.22467	2.3
277.21719	0.8
279.23169	100.0
280.23538	6.6
281.24768	0.7
297.24228	28.2
298.24658	2.8
315.25467	0.9
405.33615	0.8
419.35135	0.7
435.34009	0.9
437.36304	1.2
467.31265	0.5
503.42004	1.0
521.43652	2.1
529.46222	1.1
539.44604	9.3
540.44690	1.5
557.45593	18.1
558.45831	2.6
575.37836	0.7
575.46667	8.9
576.47314	2.4
593.47504	2.8
611.48395	1.8
647.34509	5.8
648.34564	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	0.3
51.02373	0.5
53.03938	1.6
55.01874	0.5
55.05505	0.9
57.03439	0.4
57.07070	0.7
65.03944	0.5
67.05511	2.8
69.03427	3.6
69.07059	2.0
71.04987	1.0
71.32540	0.6
78.04693	0.4
79.01871	2.5
79.05499	4.1
81.03417	7.9
81.07056	34.1
82.07395	0.8
83.04993	0.4
84.55225	0.3
85.02902	3.0
85.06549	0.3
90.82158	0.3
91.05468	1.6
92.10719	0.3
93.07055	2.1
95.04991	1.1
95.08608	7.3
97.02886	5.4
98.03224	0.3
99.04462	1.1
99.88467	0.3
105.03392	0.9
105.07021	1.4
107.01331	1.3
107.04963	1.7
107.08590	1.5
109.02876	5.7
109.06544	1.3
109.10191	1.6
111.08086	0.3
117.86772	0.3
119.08582	1.6
121.06522	0.8
121.10146	1.2
121.80445	0.3
123.04443	1.6
123.08097	0.5
123.11681	0.5
125.02361	2.5
127.03922	8.6
131.04968	0.6
131.08577	0.4
133.10141	0.9
135.04396	0.5
135.08061	0.6
135.11653	0.6
136.05214	0.5
137.02324	0.6
137.05983	4.1
137.13240	5.0
138.06757	1.5
139.03885	0.6
143.03409	3.4
143.08499	0.4
145.04953	1.6
145.10153	0.8
147.11656	0.7
148.05191	11.1
149.05855	0.6
149.09598	0.4
151.03905	1.6
151.07539	0.4
153.01825	100.0
154.02133	2.6
157.10101	0.7
159.11729	0.6
161.05919	0.4
161.13231	0.5
163.07506	0.8
163.11250	0.3
163.14815	0.4
165.05489	0.7
167.07042	1.2
171.02892	15.3
171.11720	0.4
172.03262	0.4
173.13382	0.3
175.14830	0.5
177.16466	0.4
181.08594	96.4
182.08946	3.3
185.13202	0.5
187.14818	1.4
189.16489	0.5
191.03320	0.9
195.09995	0.4
199.14909	0.7
201.16377	0.4
213.11243	0.4
213.16389	0.4
223.92398	0.3
253.14381	0.4
267.10971	0.4
279.04919	0.5
287.15005	0.5
297.06033	10.9
298.06390	0.4
315.07080	25.9
316.07462	1.4
387.15274	0.3
468.31168	1.6
494.19098	0.6
648.26184	0.6
648.36823	2.1
649.38324	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.3
53.03946	0.9
55.01870	0.3
55.05499	0.2
57.07073	0.4
61.02919	0.3
65.03922	0.2
67.05504	1.1
69.03435	2.7
69.07051	0.5
69.68008	0.8
71.04988	0.5
73.02905	0.2
73.69904	0.2
79.01854	1.8
79.05489	4.1
81.03420	6.8
81.07055	55.7
82.07381	1.2
85.02901	3.2
91.05510	0.2
93.07050	0.4
95.04979	0.3
95.08607	4.8
95.09223	0.3
97.02890	5.1
97.03497	0.4
99.04465	0.8
107.01308	1.1
107.08614	0.2
107.14230	0.2
109.02872	5.5
109.10149	0.3
123.00813	0.1
125.02346	2.5
127.03911	8.0
135.00694	0.2
137.13249	11.8
138.13614	0.4
143.03391	3.3
145.04939	1.8
153.01820	100.0
154.02168	2.9
154.15903	0.2
163.05986	0.4
171.02878	18.2
172.03214	0.5
198.86711	0.2
225.04004	0.2
225.76256	0.2
227.12462	0.2
237.03944	0.5
255.05080	0.2
261.04013	0.3
279.04941	1.2
281.17310	0.3
297.06039	12.5
298.06335	0.8
315.07077	34.1
316.07401	2.1
317.19458	0.4
528.19904	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.4
53.03940	1.5
57.03428	0.5
57.07073	0.5
61.02882	0.4
67.05489	0.7
69.03428	3.3
69.07062	0.6
70.52567	0.6
71.05004	0.4
77.88880	0.3
79.01852	1.5
79.05488	4.2
81.03413	6.6
81.07053	58.0
82.07367	1.5
85.02895	3.3
91.49496	0.3
93.07078	0.3
95.05008	0.3
95.08601	5.1
97.02894	5.7
97.03490	0.5
99.04465	1.0
107.01331	1.1
109.02872	5.8
109.10173	0.4
125.02352	2.3
127.03908	7.8
134.62558	0.4
137.13243	12.7
138.13589	0.6
143.03403	3.2
145.04961	2.0
153.01819	100.0
154.02141	2.9
163.05981	0.7
171.02873	16.3
172.03238	0.4
227.14230	0.3
264.16272	0.3
279.04886	1.2
297.06024	12.8
297.16980	0.3
298.06558	0.6
315.07077	31.7
316.07361	1.8
317.19418	1.7
398.40863	0.3
405.48163	0.3
455.90604	0.4
630.97034	0.4
649.36322	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.0944
Annotation	Unknow
Peak:m/z	Relative Intensity
61.58147	1.3
71.09602	2.5
86.73774	1.6
93.57780	1.3
94.93017	10.1
95.31513	1.3
110.85745	1.5
153.01860	1.6
160.67532	1.4
202.89088	100.0
216.90666	3.7
218.92274	2.9
235.96255	1.4
239.31862	1.3
244.90213	2.5
246.88086	6.5
247.20029	1.3
306.90179	65.5
514.17273	1.9
572.59033	1.7
649.09650	21.2
650.09424	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	649.3728
Annotation	Hydratoperidinin
Peak:m/z	Relative Intensity
53.03942	1.0
54.92065	0.6
55.05501	4.3
56.05834	0.6
57.07069	0.8
67.05498	8.0
69.07068	8.6
69.07916	5.3
69.08321	0.9
79.05480	7.0
81.07053	15.4
82.65596	0.6
83.04994	1.1
83.08617	3.8
89.03899	1.1
91.05477	6.3
93.07045	10.4
95.04948	1.6
95.08607	20.2
96.08926	1.6
97.06525	2.4
97.10165	1.9
105.07030	17.6
106.07434	0.7
107.04935	0.6
107.08586	13.7
109.06512	1.9
109.10163	8.3
110.10484	0.7
111.08092	1.2
117.03378	1.3
117.07028	2.1
118.97328	0.8
119.08585	16.1
120.08913	1.1
121.06451	1.0
121.10146	9.7
123.08064	1.7
123.11698	2.6
125.05995	1.4
125.09650	0.9
129.06984	1.5
131.08569	6.0
133.02847	1.5
133.06526	0.7
133.10132	10.2
135.04446	1.8
135.08101	1.8
135.11685	8.1
137.09584	1.6
139.07567	1.1
139.11206	0.8
143.07024	0.8
143.08598	3.2
145.02838	1.5
145.10132	8.1
146.10522	0.7
147.04395	1.5
147.08037	1.9
147.11685	5.2
149.09607	1.1
149.13248	4.2
153.08984	0.8
155.08566	2.5
157.10114	5.3
159.08089	2.1
159.11671	4.8
161.09637	2.7
161.13260	4.4
163.03888	7.7
163.07632	0.9
163.14816	5.4
165.09073	0.7
165.12794	0.8
169.10135	2.1
171.11684	4.2
171.25768	0.6
172.12300	0.7
173.09651	0.9
173.13242	4.8
175.11168	0.7
175.14804	13.4
176.15163	0.9
177.05453	1.4
177.16342	4.8
179.03409	2.0
181.10059	0.9
183.11734	1.9
185.13280	2.8
187.11153	1.2
187.14832	8.2
188.15144	0.8
189.12781	0.8
189.16380	11.9
189.17998	1.0
191.14270	0.9
191.17955	1.0
193.15892	0.8
195.06653	0.8
195.11726	1.4
197.13280	1.7
198.92288	0.6
199.14839	5.9
201.16403	5.2
203.14326	6.1
203.18109	0.6
204.14566	1.0
205.15933	3.2
209.13304	1.3
211.14897	1.9
213.12889	0.9
213.16379	3.6
215.14304	4.8
215.18045	1.2
217.15857	6.7
223.14885	1.8
225.12567	0.6
225.16383	2.8
227.14413	0.8
227.17879	4.1
229.15947	1.3
229.19510	1.2
231.17445	2.2
233.15404	1.5
235.16933	1.6
237.16403	1.5
239.17972	2.7
241.19539	1.9
243.17476	4.0
245.15263	0.9
251.18022	1.0
253.19542	1.3
255.17329	1.3
257.18951	1.1
261.22052	1.1
265.19394	0.7
269.18982	0.8
271.16885	0.9
279.20752	1.1
279.23413	1.3
280.23639	1.9
283.20337	0.9
289.17941	6.3
291.21191	0.7
297.24512	1.4
298.24545	1.7
323.23849	0.8
331.24216	0.9
333.25385	0.8
335.27362	2.1
349.25430	1.5
359.20953	0.6
369.24551	1.1
375.30450	3.2
377.31897	0.8
387.30438	1.8
393.31445	5.3
395.25436	1.1
396.74438	0.7
405.31699	4.8
421.30890	5.2
423.32587	2.7
433.30920	3.5
439.32047	41.6
440.32260	5.3
451.32034	26.7
452.32416	2.8
469.33115	100.0
470.33478	12.4
487.34210	0.9
560.40039	1.7
578.40985	1.6
596.42261	1.8
603.36420	1.0
649.37909	8.6
650.37750	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79438	0.4
53.03937	0.6
55.05507	2.9
57.07059	1.1
65.03918	0.7
66.49384	0.7
66.49706	0.5
66.96457	0.5
67.05500	3.9
69.07057	7.0
69.36385	2.7
79.05497	4.9
81.07050	9.1
81.93674	0.5
83.04993	0.6
83.08598	1.8
89.03916	3.0
91.05472	7.1
93.07036	11.2
95.04932	1.7
95.08609	15.5
96.08922	1.0
97.06503	0.8
97.10155	0.6
98.23491	0.4
103.05473	0.5
105.07026	15.1
106.07348	0.6
107.04945	0.8
107.08587	14.2
108.08913	0.5
109.06509	2.2
109.10158	5.7
113.26372	0.4
117.03387	3.5
117.06997	1.9
119.08575	33.7
120.08878	1.1
121.06486	0.9
121.10138	11.8
122.10487	0.5
123.08029	1.9
123.11708	2.8
125.09698	0.6
129.06989	1.7
129.28386	0.5
131.08560	6.2
133.10121	31.2
134.10425	1.2
135.04408	7.1
135.08015	1.5
135.10728	0.9
135.11684	12.3
137.09586	0.6
137.13222	0.7
139.11198	0.7
142.07719	0.5
143.08539	3.1
145.02856	5.7
145.10107	9.1
146.03143	0.9
146.10519	0.7
147.04413	1.0
147.08055	1.3
147.11684	9.6
149.05977	0.6
149.09612	1.6
149.13242	6.3
151.11119	0.7
153.09081	1.4
155.08562	1.4
156.09306	1.5
157.10110	5.5
158.10831	0.8
159.08041	1.1
159.11667	5.0
160.12260	0.7
161.09581	2.5
161.13251	5.4
163.03896	30.9
163.11197	0.9
163.14774	3.6
164.04228	1.4
169.10115	2.0
171.11688	5.3
172.12424	0.6
173.09657	0.9
173.13271	9.5
174.13594	0.7
175.14812	76.2
176.15152	4.7
177.05476	3.0
177.12733	0.8
177.16368	1.9
178.05832	1.0
181.04967	2.7
181.06393	0.5
181.10130	0.7
182.10834	0.5
183.11697	1.7
185.09724	0.5
185.13240	2.4
187.11218	1.3
187.14799	12.2
187.16457	0.6
189.12756	2.0
189.16368	20.6
190.16693	1.1
191.17943	2.8
193.15857	1.0
195.11714	1.0
197.13260	1.7
199.11195	0.6
199.14816	3.9
201.16371	3.2
203.14314	0.8
203.17978	1.0
205.15782	0.8
207.11679	0.6
207.17392	1.0
209.13232	0.8
211.14876	2.3
213.16321	2.4
215.14288	5.6
215.17914	1.7
217.15883	5.0
221.13193	0.7
223.14857	1.0
225.16397	1.9
227.17975	1.9
229.19502	2.0
231.17441	2.1
235.14792	0.8
235.16862	4.0
237.16353	1.2
239.17979	1.8
241.19545	2.5
243.17349	1.1
245.19086	0.9
247.14684	0.7
247.17024	0.6
253.19507	1.5
255.17468	0.6
255.20984	1.1
257.18964	1.7
265.19586	1.2
267.21088	0.9
269.19141	0.7
269.22296	0.7
279.20938	0.8
283.20569	1.0
285.21902	0.6
289.17825	0.6
291.21030	0.7
293.22464	0.7
297.22229	1.5
301.21710	0.6
303.19617	1.1
309.22195	0.6
311.23663	1.6
313.21487	1.2
329.21060	1.2
339.23154	0.9
343.22717	1.6
357.24246	3.2
377.31842	0.9
387.30435	2.5
395.26251	0.9
405.31561	9.7
406.32047	1.1
423.32800	2.3
425.30191	0.6
433.30984	6.9
434.31473	1.2
451.32056	100.0
452.26001	0.7
452.32367	14.4
469.33124	16.9
470.33527	2.1
487.34546	1.2
603.36517	3.4
610.70313	0.5
649.37531	4.9
649.50989	1.0
650.37421	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.3
55.05506	4.3
55.57428	0.4
57.07074	1.3
65.03951	1.3
67.05502	7.3
69.03429	0.9
69.07062	5.4
69.60884	2.3
71.04985	0.8
78.88662	0.5
79.05488	7.1
81.07052	14.3
83.04983	4.6
83.08624	2.6
88.07692	0.5
89.03918	4.4
91.05466	7.8
93.07039	11.5
93.07585	0.9
95.04943	2.4
95.08599	17.4
97.06543	2.2
97.10162	1.3
98.23327	1.0
103.05474	0.6
105.07020	27.1
106.07372	1.3
107.04959	1.9
107.08585	16.1
109.06526	2.4
109.10141	8.4
111.08094	1.4
115.05479	0.6
117.03371	6.2
117.07018	2.9
119.08572	26.4
120.08931	1.0
121.06545	2.0
121.10134	10.4
122.10471	0.7
123.08070	2.1
123.11691	3.1
125.09666	1.5
128.06250	1.3
129.07013	1.9
131.08556	9.1
133.10117	18.3
135.04407	12.2
135.08081	1.7
135.11678	4.4
137.09637	0.7
139.07582	1.1
141.07045	1.1
142.07845	1.0
143.08559	5.5
144.09326	0.7
145.01788	1.0
145.02844	9.2
145.03911	0.8
145.08977	0.8
145.10110	12.4
145.11179	1.0
146.10515	0.6
147.04387	0.9
147.08058	1.7
147.11665	13.8
148.12032	0.6
149.09648	1.9
149.13269	4.0
151.11195	1.2
153.09134	2.2
153.12640	0.5
155.08528	3.4
156.09262	0.9
157.10124	8.2
158.10965	0.7
159.08095	2.2
159.11679	8.3
161.09595	4.3
161.13232	6.1
163.03894	57.1
163.11102	1.1
163.14819	3.7
164.04262	2.2
165.09099	0.6
167.10658	0.6
169.10126	3.1
171.11656	4.8
173.09663	2.1
173.13255	9.1
175.11243	3.4
175.14816	15.8
176.15215	1.3
177.05493	0.7
177.09093	0.8
177.16354	2.5
181.04895	3.0
181.10175	0.7
182.10992	1.5
183.11647	3.0
185.13205	3.0
187.11259	1.2
187.14806	10.7
188.15189	0.8
189.12817	1.7
189.16370	31.4
189.74881	0.5
190.16754	2.1
191.14357	1.8
191.17960	1.8
193.04993	0.8
193.15913	1.0
195.11748	0.7
197.13210	5.1
198.13763	0.7
199.14825	7.0
200.15247	0.6
201.12775	0.6
201.16455	3.1
203.14398	1.8
205.15883	3.0
207.17480	2.2
209.13268	0.8
211.14789	3.6
213.16357	3.9
215.14288	8.2
215.17979	1.3
217.15874	14.3
219.17459	0.9
223.14775	0.7
225.16342	1.0
227.18005	1.8
228.23187	0.8
229.15961	2.0
229.19514	1.0
231.17522	1.4
233.15346	4.4
235.14757	0.9
235.16907	6.6
239.17957	1.7
241.19577	0.9
243.17474	0.7
243.21156	1.4
245.19083	1.5
253.19438	4.3
256.26407	0.7
257.18991	1.3
261.14877	1.0
263.16525	1.4
265.19464	0.7
269.22620	0.7
271.20566	7.5
272.20593	0.6
275.16360	0.7
279.21317	0.8
297.22247	0.8
299.20218	0.8
317.21265	1.9
347.27502	0.7
350.73566	0.6
365.28653	1.3
375.30533	0.6
387.30392	0.9
393.27545	1.2
395.33533	0.5
403.29117	0.6
405.31570	2.7
407.33475	0.8
413.19583	1.2
421.31061	0.9
423.32458	5.2
433.31018	1.7
451.31937	3.1
452.31946	0.5
469.33078	2.3
470.34424	0.6
499.61038	0.5
603.36871	3.2
604.36890	0.8
631.35193	0.8
649.37305	100.0
650.37604	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	649.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88974	0.7
55.05500	2.1
61.94124	0.7
65.03932	2.5
67.00500	0.7
67.05486	3.2
67.53137	0.7
69.03419	1.0
69.07059	3.4
69.37133	5.4
76.73737	0.7
79.05492	3.9
81.07053	7.9
83.04974	1.6
83.08611	2.3
89.03916	0.9
91.04922	1.1
91.05475	16.3
93.07037	8.6
95.04953	1.3
95.08608	9.4
97.06535	1.4
98.22572	1.4
99.79746	0.8
103.05412	0.7
105.07023	10.1
107.04920	0.9
107.08590	11.3
109.06496	1.3
109.10148	3.9
111.08102	1.2
117.03385	2.1
117.07005	1.8
119.04941	25.3
119.05807	1.2
119.07741	0.9
119.08579	13.9
119.73787	0.7
120.05271	0.8
121.02850	1.6
121.06529	0.8
121.10137	7.8
123.08070	1.9
123.11671	1.2
123.92069	0.7
125.09610	1.3
129.06967	1.3
131.08540	5.2
133.10121	9.6
135.04424	2.5
135.08075	1.8
135.11707	4.0
137.02357	1.8
137.06038	0.8
137.09595	0.8
139.03810	0.8
139.07515	0.9
142.07774	1.3
143.08571	2.7
145.10088	8.7
147.04398	100.0
147.11668	6.1
148.04707	3.3
149.09610	1.9
149.13237	2.4
155.08495	1.0
156.09311	1.0
157.10130	5.6
159.11693	5.6
161.09616	1.7
161.13249	3.2
163.03880	11.1
163.11125	1.5
163.14832	3.8
165.05484	3.3
169.10144	2.1
170.11026	0.8
171.11670	3.7
173.09610	1.3
173.13206	4.8
175.11227	1.7
175.14816	12.0
176.15036	1.1
177.16351	3.3
179.03337	1.2
181.04921	0.9
181.10056	1.2
183.11658	2.4
185.13239	2.3
187.14839	4.9
189.16339	7.6
191.14252	1.3
191.18005	0.7
193.05005	1.7
193.15878	1.4
195.11761	1.3
197.13286	1.5
199.14769	3.7
201.16420	3.2
203.14319	2.8
203.17995	1.1
205.12421	0.7
205.15894	3.3
209.13303	1.0
211.14790	1.8
213.16408	1.9
215.14264	1.8
215.17978	0.8
217.15901	3.1
219.17361	1.6
221.13470	1.0
221.15263	4.0
223.14731	1.2
225.16380	0.8
227.14136	1.0
227.17770	1.5
228.23302	1.2
229.15779	1.0
231.13814	0.9
231.17407	1.0
233.15306	1.9
235.17078	1.1
239.17967	1.4
241.19514	1.8
243.17500	1.2
249.14899	1.8
253.19472	4.5
271.20612	1.5
299.20087	0.8
345.25949	1.1
397.19644	0.9
403.29669	2.6
405.31461	1.9
421.31161	4.3
423.32706	3.4
425.30365	1.2
431.29440	1.0
439.32159	2.0
449.30475	2.7
451.32028	2.8
467.31580	6.4
469.26721	1.4
469.33133	25.3
470.33591	3.8
485.32843	1.9
649.35657	7.7
649.51642	1.6
678.72113	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3733
Annotation	Hydratoperidinin
Peak:m/z	Relative Intensity
53.03945	1.1
55.05505	4.9
57.07047	0.8
63.02348	1.0
65.03934	0.9
67.05505	7.8
69.03418	1.4
69.07062	6.0
69.24425	1.3
69.24826	4.9
79.05485	9.7
81.07058	18.6
83.04984	3.5
83.08627	3.8
89.03907	9.1
91.05476	9.1
93.07039	13.5
94.07393	0.9
95.04961	3.3
95.07654	0.7
95.08604	17.2
97.06509	1.5
97.10149	1.8
99.08080	2.0
103.05442	0.7
105.07024	16.6
107.04931	3.4
107.08593	17.8
108.08921	1.0
109.06531	5.1
109.10143	11.1
111.04458	0.9
111.08074	3.2
116.78405	0.8
117.03382	8.6
117.06998	3.5
119.04932	0.9
119.07740	1.3
119.08578	21.2
120.08896	0.7
121.10145	13.4
122.10473	0.8
123.08070	1.7
123.11720	4.9
125.05962	1.3
125.09638	5.5
127.07536	2.4
128.06236	1.1
129.06984	2.9
130.07706	1.0
131.08562	11.0
133.06491	1.1
133.10124	13.3
135.04410	18.9
135.07994	1.1
135.11679	5.4
137.02332	1.4
137.05972	2.4
137.09612	1.5
137.13214	0.8
141.06940	0.7
142.07739	1.3
143.08565	6.9
144.09250	1.2
145.02841	15.3
145.06429	0.8
145.10106	14.8
146.03201	1.3
147.04378	1.1
147.11682	8.0
149.05936	1.5
149.09584	1.0
149.13271	3.2
151.03923	1.0
151.07549	1.9
151.11134	1.8
153.05466	1.6
155.08537	1.4
156.09332	1.9
157.10146	8.0
158.10873	1.7
159.08078	1.0
159.11684	15.4
161.13266	8.0
162.13573	0.8
163.03899	100.0
163.11203	0.8
163.14812	2.9
164.04225	2.9
165.12767	0.9
167.08614	1.4
169.10092	3.3
170.10913	1.3
171.11685	6.9
173.13263	10.5
174.13574	0.8
175.11172	1.0
175.14821	6.1
177.05481	4.8
177.09120	1.4
177.16367	2.5
178.05824	2.0
180.07256	0.7
181.04941	6.5
181.10130	0.9
182.10873	1.4
183.11678	4.8
185.13266	13.4
186.13728	1.0
187.09273	0.7
187.14809	14.8
187.16331	1.3
188.08401	0.8
188.15117	1.3
189.16376	4.9
190.16721	1.3
191.14294	3.1
191.17943	1.8
193.15987	1.1
195.06514	1.6
195.11760	1.9
197.13211	4.5
199.14827	10.1
201.12817	1.0
201.16391	11.8
202.16672	1.1
203.17964	1.9
205.15889	3.0
209.13266	2.1
211.14796	4.6
212.15376	0.7
213.12993	0.7
213.16335	11.8
214.16899	1.0
215.14331	2.7
215.17960	3.0
217.15794	3.5
217.19424	1.0
219.17390	5.8
223.14850	1.1
225.16412	1.7
227.14413	0.8
227.17914	1.5
229.15863	0.8
231.13878	0.9
231.17473	1.7
233.15417	1.5
237.16479	1.2
239.17946	2.0
241.19551	1.7
245.15396	2.4
247.16988	1.5
251.17931	1.1
253.19536	2.1
255.21065	1.7
259.16968	2.3
265.19385	1.0
267.21017	1.8
279.20950	1.2
299.20020	0.9
331.24200	1.1
387.30307	1.7
393.27524	1.6
405.15625	0.9
405.31522	16.4
406.31708	1.9
407.33084	1.9
415.30234	0.9
421.30908	1.2
433.30957	8.4
435.32916	0.8
437.33420	0.8
451.32059	13.1
452.32251	1.5
649.37982	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	649.409
Annotation	Uncarinic acid A
Peak:m/z	Relative Intensity
51.77245	0.4
53.03943	0.5
55.05510	3.6
57.07073	0.9
62.21326	0.4
62.45383	0.4
63.02375	0.5
65.03927	0.4
67.05500	4.0
69.07060	5.1
69.76691	2.0
78.04698	0.7
79.05494	3.0
81.07043	8.9
83.08622	4.8
86.42990	0.4
89.03912	7.3
91.05473	4.4
91.34042	0.4
93.07037	8.0
95.04949	0.7
95.08598	18.7
97.10135	1.1
98.23259	0.5
103.05476	0.6
105.07019	10.3
107.04929	0.6
107.08586	15.3
108.08966	0.6
109.06467	0.5
109.10148	8.6
111.08077	0.6
117.03371	16.6
117.07009	1.6
119.08571	17.1
120.08856	0.8
121.10133	14.0
122.10434	0.5
123.11700	7.3
129.06985	0.8
131.08548	4.1
133.06483	0.4
133.09138	0.9
133.10112	12.6
134.03604	1.7
134.10469	0.4
135.04390	1.2
135.08040	0.5
135.11676	8.1
137.13242	1.2
143.08516	2.4
144.09285	0.6
145.02832	45.5
145.10100	7.7
146.03175	1.3
147.11674	9.2
149.05968	7.8
149.13239	6.5
150.06306	0.6
151.07468	0.5
153.05434	0.6
153.09085	1.4
157.10101	1.5
159.11678	7.1
160.12344	0.7
161.13251	6.6
162.03050	0.5
163.03871	2.7
163.07439	0.7
163.14787	3.9
165.12726	0.7
167.10660	0.8
169.10129	0.6
171.11664	2.1
173.13242	3.5
175.14824	7.5
177.05455	100.0
177.16365	9.7
178.05791	4.4
178.16930	0.5
179.10754	0.6
183.11711	0.8
185.13202	1.3
186.05481	1.5
187.14792	3.1
189.16357	14.0
190.16658	0.6
191.17928	4.1
195.06505	28.4
196.06860	0.9
197.13274	0.9
199.14778	1.5
201.16376	10.9
202.16788	1.0
203.17926	18.1
204.18301	1.0
205.15892	3.0
205.19508	1.7
207.17400	2.3
211.14752	0.4
213.16333	3.1
215.17920	12.9
216.18211	0.6
217.19516	1.8
219.17470	0.9
227.17960	1.2
229.19499	1.6
231.17482	0.9
235.16751	2.0
239.18073	0.7
241.19472	1.6
242.19786	0.5
243.21103	1.4
247.16928	4.9
249.18468	1.8
253.19482	0.9
255.21135	1.2
259.16992	0.5
261.18442	6.9
267.21005	0.8
269.22678	1.1
283.24261	0.6
289.21652	0.5
295.24161	1.4
299.20035	0.4
301.21414	1.0
315.23099	0.6
329.24429	0.5
355.26233	0.7
365.32010	0.7
381.27197	0.6
391.33493	4.3
392.33914	0.5
394.28671	0.8
409.34433	4.6
410.34698	0.5
411.32507	4.2
437.34113	18.6
438.34445	2.2
455.34497	0.5
467.59109	0.5
640.64404	0.4
649.46539	4.5
650.47186	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.4091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.05508	3.3
57.07056	1.5
58.76240	0.6
67.05500	3.9
69.07063	5.0
69.22055	5.3
78.04707	1.2
79.05470	2.7
80.05777	0.7
81.07053	9.3
81.07494	1.2
83.08614	4.0
89.03906	6.4
91.05476	4.5
91.71513	0.6
93.07024	7.6
95.04932	0.7
95.08599	15.4
97.10143	1.4
103.88171	0.6
105.07025	11.3
107.08585	11.8
109.10150	7.6
117.03373	18.0
117.07002	1.2
119.08569	18.2
120.08917	0.7
121.10128	10.1
123.11701	5.3
129.06999	0.7
131.08545	2.3
133.10130	9.6
134.03564	1.5
135.04416	2.4
135.11676	8.0
137.13239	2.2
143.08543	2.0
145.02835	48.2
145.10085	8.0
146.03189	1.7
147.11679	10.6
148.79668	0.7
149.05971	8.1
149.13240	5.5
153.09079	0.9
157.10126	1.6
159.11697	6.7
161.13248	5.9
163.03891	2.2
163.14815	4.6
171.11687	1.2
173.13254	3.8
175.14830	8.4
176.15239	0.8
177.05460	100.0
177.16345	7.8
178.05812	4.3
178.83586	0.7
184.08493	0.9
185.13254	1.0
186.05527	0.8
187.14844	3.4
189.16371	17.8
190.16728	0.9
191.17950	2.7
195.06516	35.0
196.06827	1.8
199.14807	1.7
201.16376	14.2
202.16646	1.0
203.17924	20.7
204.18265	1.4
205.15843	1.1
205.19431	0.8
207.17360	3.3
213.16393	3.2
215.17931	10.9
216.18338	1.1
217.19481	2.0
219.17433	1.6
221.15443	0.8
227.17873	1.4
229.19450	2.2
235.16862	1.2
241.19456	1.8
243.21036	1.9
247.16803	3.7
249.18466	1.6
255.21033	1.9
259.16965	1.6
261.18481	5.2
267.20978	1.3
269.22485	1.4
287.20108	1.3
300.56046	0.7
301.21411	1.3
315.22830	0.9
329.24744	0.9
391.33456	5.7
409.34552	6.3
410.34561	0.9
411.32455	5.1
437.34143	19.4
438.34412	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	649.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16647	0.8
53.03949	0.9
55.05513	4.1
57.07080	1.9
63.02379	1.0
65.03922	5.1
67.05497	5.3
69.07063	6.0
79.05505	5.3
81.07057	13.2
83.08624	5.2
89.03915	6.2
91.05479	9.2
93.03401	8.5
93.07044	12.3
95.08604	21.6
96.08936	0.9
97.10195	1.1
98.22581	1.5
105.07033	14.0
107.08589	22.0
109.10152	10.5
111.04448	7.1
111.08080	1.7
117.03373	16.4
117.07028	1.0
119.04907	3.9
119.08576	23.9
120.08910	0.8
121.10149	18.0
122.03609	1.0
123.08150	0.8
123.10893	1.3
123.11723	11.4
125.05986	16.2
125.09586	1.0
125.77379	0.8
131.08543	6.0
132.08936	1.0
133.10123	17.2
134.03693	1.3
135.04393	0.9
135.11705	11.6
137.05986	16.0
137.13272	2.5
143.08571	3.5
145.01707	2.1
145.02850	42.6
145.10107	12.2
145.11214	1.0
147.11665	12.7
149.06006	6.6
149.13242	7.0
151.07507	6.7
151.11171	1.2
153.05464	55.0
154.05795	2.5
157.10129	2.2
158.10767	0.9
159.11697	8.8
161.13249	7.4
163.03911	1.2
163.07536	2.0
163.14857	4.0
169.10159	1.3
171.11703	3.0
173.13269	6.2
175.14821	11.1
177.05466	100.0
177.16374	10.6
178.05838	3.8
178.16786	1.0
179.07025	37.5
180.07353	1.5
183.11705	1.2
185.13274	2.3
187.14865	6.7
189.16389	18.0
191.17935	5.7
193.15761	0.9
195.06529	71.4
196.06873	2.7
197.13319	1.1
199.14809	2.3
201.16397	14.6
202.16606	1.1
203.17964	17.6
204.18246	1.0
205.15834	2.9
205.19467	1.8
207.17355	1.5
211.14828	1.3
213.16380	6.8
215.17941	21.7
216.18285	1.5
217.19554	2.9
219.17543	2.6
224.53247	0.8
227.17929	2.1
229.15942	1.2
229.19440	2.7
233.19023	0.9
235.16943	3.4
239.17841	1.0
241.19519	2.5
243.21100	2.3
247.16927	7.4
249.18518	1.6
253.19598	1.8
255.21138	2.3
259.16779	1.1
261.18484	14.8
262.18726	1.0
267.21021	2.2
269.22702	1.4
295.24127	1.1
299.19916	2.0
301.21771	1.4
315.23175	0.9
315.83862	0.8
316.23969	0.9
329.24744	1.0
349.29047	1.0
355.26379	1.2
391.33578	5.6
394.28400	1.2
407.33224	1.8
409.34799	5.8
410.34937	1.6
411.32602	4.7
427.35114	1.4
435.32361	1.2
437.34164	17.7
438.34460	3.0
649.38135	2.5
649.47168	1.7
669.04041	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.4094
Annotation	Uncarinic acid A
Peak:m/z	Relative Intensity
53.03938	0.9
55.05514	2.9
57.07078	1.1
63.02374	0.8
67.05510	5.2
69.07059	6.9
79.05492	4.5
80.33677	0.8
81.07053	14.7
83.08634	5.5
89.03919	7.8
91.05480	4.0
93.07033	10.7
95.08604	22.2
97.10178	1.2
98.22072	0.9
105.07027	9.6
107.08591	16.8
109.10162	9.6
117.03380	21.3
117.06996	1.3
119.08579	10.3
121.10133	14.1
123.11707	4.3
124.54841	0.9
131.08572	3.3
133.10130	7.0
134.03613	2.0
135.04477	1.0
135.11696	11.8
137.13251	7.2
141.27304	0.8
143.08554	2.4
145.02846	49.0
145.10115	5.7
146.03172	1.9
147.11682	7.7
149.05974	8.4
149.13246	11.4
150.06413	0.9
151.14804	1.4
154.11362	0.8
157.10132	3.0
159.11707	3.2
161.13245	4.3
163.03954	2.5
163.14850	3.0
169.10155	1.1
169.37607	0.9
171.11731	3.6
173.13278	2.2
175.14847	4.9
177.05470	100.0
177.16377	12.1
178.05829	4.7
178.16809	1.1
185.13248	3.2
186.05528	1.4
187.14803	5.2
189.16411	8.6
191.17938	3.8
195.06525	35.3
196.06886	1.4
199.14822	2.2
201.16345	7.1
203.17958	18.2
204.18312	1.2
207.17406	1.4
213.16382	4.0
215.18005	3.2
217.19742	1.4
227.18156	1.0
233.15280	1.6
233.63948	1.0
241.19556	2.8
243.20842	1.0
255.20979	1.4
259.16962	3.5
261.18509	1.1
261.64331	0.8
287.20081	2.5
327.23361	1.1
391.33606	5.2
392.34375	1.2
409.34720	3.9
411.32635	2.1
437.34180	12.7
438.34137	2.4
455.35178	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	5.9
57.07077	3.3
65.03945	3.3
67.05212	0.8
67.05502	8.7
68.05829	0.7
69.07065	8.8
71.04970	0.9
79.05495	7.8
81.07055	20.8
82.07381	0.7
83.08607	6.5
85.06508	1.0
89.03907	8.0
91.05480	9.7
91.64014	0.7
93.03398	8.0
93.07045	16.0
94.07381	1.0
95.04961	1.5
95.08602	33.7
96.08942	0.9
97.06493	0.8
97.10146	2.8
103.05438	1.0
105.04507	0.9
105.06356	1.0
105.07024	11.4
107.08588	22.9
108.08958	0.7
109.06532	0.8
109.10145	13.7
111.04449	6.1
117.03377	17.5
117.06994	1.3
118.03732	0.9
119.04942	4.2
119.08578	15.1
121.10143	18.9
122.03641	0.8
122.10447	1.1
122.76455	0.7
123.08052	0.7
123.11702	6.6
125.05994	13.7
125.09645	0.9
129.06949	0.9
131.08568	6.7
133.10120	11.3
134.03600	1.2
135.04391	1.0
135.11693	15.4
137.05971	15.8
137.09523	0.8
137.13239	7.7
143.08557	3.3
145.02843	43.5
145.10147	7.8
146.03191	1.7
147.07988	0.7
147.11693	8.5
149.05968	8.3
149.13251	15.3
151.07573	3.2
151.14879	1.9
153.05464	47.3
154.05777	1.7
155.08553	0.7
157.10161	3.2
159.11682	5.9
161.09584	0.9
161.13289	5.6
163.03909	2.2
163.14774	4.2
164.04762	1.0
165.09106	1.0
169.10114	0.9
171.11690	5.2
173.13278	3.5
175.14812	7.3
176.15167	0.8
177.05466	100.0
177.16388	15.9
178.05763	6.5
178.16724	0.8
179.07031	33.3
180.07385	1.8
183.11763	1.4
185.13280	3.0
186.05443	1.3
186.13396	0.9
187.14810	6.6
189.16386	9.3
191.17943	4.1
195.06523	59.4
196.06844	3.2
197.13257	1.8
199.14828	3.5
201.16400	9.6
203.17960	16.4
205.15869	1.9
205.19501	0.8
207.17435	1.0
211.14958	1.3
213.16396	7.0
214.16801	1.1
215.17976	5.5
217.19485	2.2
219.13733	0.8
219.17470	1.0
225.16458	0.8
227.17946	1.2
229.19519	0.9
231.17355	1.2
233.15277	1.1
235.16875	1.0
239.17888	1.2
241.19563	5.7
243.21059	1.8
249.18330	0.8
253.19444	1.5
255.21028	1.9
259.16891	4.9
261.18326	1.1
267.21109	1.8
287.20016	2.9
297.24301	1.6
298.24585	1.0
299.20163	1.3
313.21695	0.9
355.26132	1.1
389.06546	0.8
391.33545	3.2
393.35602	0.9
407.33026	2.7
409.34671	3.4
409.39246	0.7
411.32544	1.4
432.31662	1.2
435.32010	1.7
437.34149	12.8
438.34482	1.6
455.70178	0.8
462.86670	0.7
479.25220	0.8
578.41052	0.9
596.42395	1.5
649.38013	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	649.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.1
53.36668	0.5
55.05512	5.9
57.07063	2.3
57.47467	0.7
63.02392	1.0
65.03933	5.1
67.05502	7.3
69.07061	7.7
69.26406	1.7
69.26825	2.9
77.03905	0.6
79.05492	6.2
81.07056	14.7
83.08629	4.7
84.15078	0.6
85.06538	1.0
89.03923	8.8
91.05470	13.2
93.03400	9.4
93.07039	14.5
95.04943	1.1
95.08604	22.2
96.08935	1.0
97.10150	1.7
98.23303	1.2
103.05454	0.9
105.07024	16.1
107.08587	20.2
109.06481	0.6
109.10145	11.5
110.03677	1.1
111.04446	9.2
117.02573	1.2
117.03375	19.9
117.07010	2.6
119.04935	4.0
119.08578	28.0
120.08850	0.9
121.06531	0.9
121.10136	17.6
122.10435	0.8
123.11707	8.6
124.05225	0.6
125.05984	17.9
125.09623	0.7
129.06972	1.3
131.08568	7.4
133.10129	18.7
134.03572	1.4
135.04413	1.9
135.08046	1.1
135.11687	12.3
137.05975	14.8
137.09590	1.2
137.13269	2.4
143.08536	4.1
145.02840	52.0
145.10097	11.3
146.03166	2.3
147.11676	12.7
149.05963	8.3
149.09613	1.0
149.13235	8.1
150.13602	0.6
151.07553	5.6
151.11124	1.2
151.14832	1.3
153.05457	52.5
153.08966	1.3
154.05751	1.5
155.08554	1.0
157.10135	2.4
158.10773	1.1
159.11691	10.3
160.12292	0.7
161.13258	8.7
162.13564	0.7
163.03885	2.4
163.11180	0.9
163.14804	6.8
164.04640	1.1
165.16443	0.8
169.10104	1.6
171.11714	2.5
172.12387	0.8
173.13231	6.9
174.13782	0.7
175.14816	11.5
177.05463	100.0
177.16362	9.1
178.05823	5.7
178.16713	0.7
179.07037	35.9
180.07359	2.0
183.11687	0.8
185.13284	2.0
187.14796	7.4
189.16377	18.9
190.16702	1.2
191.17931	3.4
195.06519	62.3
196.06783	2.9
197.13280	1.2
199.14850	4.2
201.16382	20.1
202.16684	1.0
203.17941	21.0
204.18341	1.1
205.15854	1.9
205.19481	1.2
207.17450	2.0
211.14818	1.0
213.16347	8.3
215.17935	19.6
216.18307	1.7
217.15901	0.8
217.19527	1.7
219.17429	1.1
221.15385	0.7
225.16312	1.2
227.17986	1.7
229.19434	2.2
231.17433	1.3
235.16974	1.4
239.17943	1.3
241.19482	2.4
243.21043	2.6
247.16878	3.9
249.18536	1.3
253.19586	1.6
255.21179	2.8
259.16843	2.1
261.18494	7.8
267.21045	1.9
269.22595	1.3
273.18295	0.7
275.19876	1.1
287.20071	1.2
301.21881	1.0
309.25931	0.8
391.33517	5.6
392.33670	0.9
394.28421	0.7
407.33054	1.9
409.34625	6.0
411.32529	3.0
412.32791	0.7
435.32495	1.4
437.34131	16.4
438.34280	2.4
453.33737	0.7
455.35367	0.7
649.38019	4.4
650.39014	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	6.1
56.77330	1.1
57.07073	2.6
62.43032	1.3
63.23597	1.2
65.03927	5.0
67.05505	10.3
68.04069	1.2
69.07057	9.2
69.07671	10.7
71.04977	1.4
79.05470	7.4
81.07053	19.5
81.98313	1.2
83.08602	5.5
89.03891	7.7
91.05476	11.8
93.03416	5.9
93.07042	19.2
95.04958	1.6
95.08015	2.4
95.08600	32.5
97.06564	1.5
98.23288	2.2
105.07018	13.6
106.07367	1.6
107.08591	27.4
108.08889	2.2
109.10155	14.4
111.04420	7.9
117.03365	19.5
117.06993	2.6
118.03658	1.5
119.04927	3.5
119.08572	16.3
121.10143	22.5
123.08108	1.8
123.11709	6.1
125.05992	15.2
125.09636	1.4
128.06226	1.4
129.07056	1.2
131.08537	5.2
133.10129	12.8
135.04399	3.3
135.11696	14.6
137.05972	14.8
137.09604	1.4
137.13222	8.3
143.08527	3.5
145.02844	46.8
145.10132	9.0
147.04384	3.7
147.11691	10.3
149.06001	7.8
149.13252	16.8
151.07539	4.8
151.11116	2.8
153.05461	42.1
155.08572	1.6
157.10127	3.8
159.11656	7.8
161.13269	6.4
163.03900	4.1
163.14850	3.4
164.04507	1.2
169.10098	1.7
171.11722	5.1
173.13225	5.5
175.14793	9.6
177.05467	100.0
177.16367	13.1
178.05807	4.4
179.07027	29.8
183.11775	2.1
185.13257	5.0
187.14775	6.9
189.16383	8.7
191.17923	4.4
193.08629	1.6
195.02684	2.8
195.06525	60.9
196.06873	2.4
199.14807	5.6
201.16374	11.1
203.17932	18.9
205.15981	1.5
211.09605	3.0
211.14812	2.1
213.16403	9.6
215.17944	4.8
217.19370	1.8
219.13753	1.3
233.15314	2.3
241.19495	5.6
255.21127	3.0
259.16937	5.5
267.20926	1.6
287.19974	2.5
388.81793	1.4
391.33636	4.6
407.33289	2.7
408.32944	1.6
409.34604	3.8
437.34293	12.6
439.32324	1.8
485.32617	1.8
525.82111	1.4
613.33704	2.1
631.34851	1.8
649.38226	13.3
650.38623	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	650.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.0
53.12567	2.0
54.23673	1.6
55.01878	10.9
55.05515	3.0
57.03436	1.7
67.05504	8.0
69.03433	8.9
69.07069	11.2
71.05003	4.8
71.31527	2.7
79.05483	14.0
80.66010	1.3
81.03417	24.8
81.07062	19.4
83.04980	4.7
85.02901	4.9
85.06544	3.4
91.05469	7.7
93.06462	2.5
93.07050	34.4
95.04968	6.4
95.08615	15.5
97.02896	4.6
97.06551	11.2
99.04447	14.5
105.07030	24.8
107.04957	2.9
107.08596	47.1
109.02881	24.0
109.06538	12.5
109.10174	2.4
111.08086	6.9
113.06028	3.6
115.05432	1.4
117.07029	1.7
119.04970	1.7
119.08562	7.5
119.40290	1.8
121.06512	16.3
121.10129	29.7
123.04458	3.3
123.08071	8.2
125.05985	3.2
127.03924	26.4
127.07578	2.7
131.04945	5.1
131.08546	2.7
133.06418	1.7
135.08040	2.6
135.11703	11.6
137.05989	1.9
137.09586	2.0
139.07556	1.9
139.11188	4.2
143.07011	2.0
145.10136	29.7
147.08032	2.0
147.11655	2.7
149.05994	5.7
149.09612	11.2
151.07573	6.1
153.05417	1.9
157.08656	1.7
159.04414	2.3
163.03929	4.6
163.11183	62.1
164.11528	3.0
167.07045	23.8
167.10672	22.4
168.11041	2.2
169.08603	68.1
170.08887	2.0
173.09679	6.6
177.05470	22.9
179.07018	2.5
181.12247	16.9
185.11746	2.9
191.10683	35.5
193.08611	2.1
203.06978	1.5
209.08119	16.0
209.11722	39.4
213.67422	1.7
227.09247	3.6
227.12785	100.0
228.13107	5.7
236.19725	1.6
255.12289	3.0
269.13846	5.5
271.13461	2.2
289.14377	5.2
317.13632	3.9
319.12067	1.8
335.14749	8.4
342.42404	1.5
353.15945	35.1
354.16370	1.6
371.16977	26.8
372.17496	2.3
389.18478	2.9
518.67120	1.7
538.51715	2.1
546.03931	1.8
677.98193	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2924
Annotation	Chondramide D
Peak:m/z	Relative Intensity
54.94812	4.3
55.05508	7.6
61.08607	3.8
65.55022	4.2
67.05510	9.6
68.00769	3.4
69.07076	5.6
71.31374	7.6
75.92023	3.7
79.05485	6.2
81.07055	12.9
91.05524	4.3
91.07874	3.9
93.07059	7.2
95.08600	13.2
96.33102	3.5
97.42255	4.1
105.07043	7.2
107.08606	6.2
119.08602	6.5
149.13242	4.5
177.09421	4.3
184.07402	7.1
243.98132	4.0
321.73325	4.3
371.16013	7.3
415.15097	76.6
416.15353	5.7
466.94928	3.8
651.29510	100.0
651.42749	7.9
652.30463	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	651.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
55.01854	0.6
55.05505	1.8
57.03429	1.4
57.07083	0.6
58.08097	0.5
61.02924	3.8
65.03930	2.0
67.05512	5.7
69.03418	2.9
69.07060	3.0
71.01358	0.6
71.04992	1.0
71.32749	0.8
73.02922	2.2
78.29722	0.5
79.05495	5.5
81.03426	1.2
81.07055	7.6
83.04980	1.2
83.08622	2.1
85.02899	4.2
85.06532	0.8
89.03923	1.6
91.03954	2.0
91.05483	4.6
93.03402	1.2
93.07040	8.8
95.04974	0.9
95.08598	8.0
97.02886	3.6
97.06526	1.3
97.10151	1.0
99.04435	0.7
101.02378	1.6
103.05437	0.7
105.07043	3.7
107.04929	1.0
107.08589	7.2
109.02886	1.1
109.10155	2.9
111.04439	1.6
111.08081	0.5
117.03381	4.0
117.07001	1.1
119.04986	1.2
119.08588	4.0
121.06490	0.5
121.10134	5.0
123.04397	1.0
123.11724	1.4
125.06000	2.8
127.03896	1.1
128.59013	0.6
129.07025	0.6
129.84715	0.4
131.08611	2.3
133.10136	3.7
135.04436	1.7
135.08098	0.7
135.11681	6.8
137.05981	7.9
137.13266	1.9
143.08572	1.6
145.02858	8.0
145.10144	3.6
147.04420	1.8
147.11697	1.5
148.28389	0.5
149.06007	1.7
149.13245	5.4
151.03868	1.1
151.07579	2.6
153.05467	9.7
156.53705	0.5
157.10114	1.3
159.11661	2.3
161.13292	1.3
163.03922	5.2
163.07491	0.7
163.11304	0.9
163.14842	0.7
164.04738	0.6
165.05559	1.2
169.10173	0.8
171.11697	1.9
173.13303	2.2
175.07555	0.7
175.14835	1.2
177.05467	16.2
177.12766	1.0
177.16406	3.8
178.05846	0.7
178.07956	0.5
179.07028	15.4
181.04982	1.1
181.12061	0.5
183.11707	0.5
185.13290	1.6
187.14861	1.8
189.16435	1.6
191.17957	0.8
195.06511	9.9
195.08118	0.9
199.14807	0.7
201.12766	0.6
201.16458	1.4
203.10652	1.1
203.17987	1.9
205.15948	1.3
213.16345	0.8
215.14319	1.2
221.11592	1.1
227.17781	0.8
235.13188	1.1
243.08430	1.7
243.17461	0.5
245.15312	0.6
249.09039	0.7
253.19611	0.7
261.14862	1.1
319.09631	0.7
323.12708	0.7
393.31281	0.7
409.30731	1.0
439.19391	6.6
439.32245	2.1
453.20941	5.8
454.20908	0.7
651.33429	100.0
652.33728	12.5
663.63593	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3349
Annotation	Strychnogucine C
Peak:m/z	Relative Intensity
53.03939	0.6
53.10194	0.4
55.01876	0.9
55.05508	1.5
56.27565	0.4
57.03443	1.2
57.07053	0.4
61.02924	3.3
63.36967	0.4
65.03923	0.8
67.05496	6.0
69.03432	1.2
69.07071	2.7
71.01339	0.7
73.02930	2.2
79.05493	3.7
81.03423	1.2
81.07053	6.2
83.04981	0.8
83.08619	1.7
85.02903	2.5
85.06531	0.5
87.58328	0.4
89.03902	1.0
91.03970	1.6
91.05479	4.0
93.03420	1.2
93.07039	6.7
95.08604	6.4
97.02881	2.6
97.06524	1.5
97.10184	0.7
99.04468	1.0
99.08061	0.4
101.02396	1.1
105.07032	2.6
107.08594	6.3
109.02862	0.8
109.10154	2.3
111.04449	1.2
116.06244	0.4
117.03378	2.5
117.07028	0.9
119.04948	1.1
119.08585	2.5
121.02882	0.7
121.09380	0.6
121.10163	4.2
123.04411	0.5
123.11706	1.2
125.05991	2.4
127.03913	1.3
131.08580	1.3
133.10123	2.7
135.04465	1.1
135.11691	5.2
137.05980	6.9
137.13235	0.8
143.08585	0.7
145.02853	5.0
145.10123	2.7
147.04430	1.2
147.11679	1.0
149.06009	1.5
149.13254	3.9
151.07555	1.6
153.05479	7.0
157.10139	0.8
159.11725	1.7
161.13268	0.7
163.03886	3.3
163.14798	0.6
164.04643	0.6
165.05502	1.2
171.11671	1.0
173.13289	1.6
175.14865	1.3
177.05461	13.8
177.06978	0.8
177.16373	2.3
178.05774	0.6
179.07031	12.4
180.07330	0.8
181.04956	0.9
185.13277	0.9
187.11272	0.5
187.14851	1.1
189.16417	0.8
191.18021	0.8
195.06540	7.5
197.13280	0.6
199.15001	0.7
201.16457	1.2
203.10672	0.6
203.17967	1.2
205.15851	0.5
215.14371	1.1
215.17918	0.5
219.14041	0.5
221.11581	1.1
235.13194	0.5
243.08452	1.9
243.17520	0.7
285.18735	0.5
299.70279	0.4
306.23157	0.5
308.03519	0.4
334.91876	0.5
393.31287	0.8
409.31161	0.6
411.32333	0.5
439.19333	5.8
439.32071	1.3
453.20889	6.3
651.33423	100.0
652.33887	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	651.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.0
55.05508	6.5
57.07052	2.2
62.73943	1.2
67.05506	6.7
69.03413	1.6
69.07068	6.8
70.06592	1.4
70.60461	2.2
71.83340	1.2
79.05485	6.3
81.07050	15.8
83.08624	12.5
83.44482	1.1
84.38900	1.2
85.06519	1.6
88.62801	1.1
89.03915	8.4
91.05467	7.3
93.07036	11.9
95.08607	23.2
97.10149	1.6
105.07011	14.3
107.04927	3.6
107.07898	2.3
107.08588	23.2
109.10161	11.5
117.03358	8.2
117.07005	3.5
119.08569	33.7
121.10149	16.7
123.04406	1.4
123.11697	10.2
127.07490	1.3
129.07010	2.5
131.08572	10.6
133.06462	1.4
133.10115	17.0
135.04420	19.7
135.11662	11.7
137.13185	3.1
141.29233	1.2
142.07732	1.5
143.08554	4.7
144.09367	1.6
145.02838	12.0
145.10120	14.4
147.04407	3.0
147.11705	13.4
149.13251	10.5
151.07487	1.4
155.08551	2.3
157.10130	7.8
159.11703	11.6
161.13248	7.6
163.03899	100.0
163.07549	2.7
163.14796	6.0
164.04216	3.9
169.10089	2.0
171.11662	8.2
173.13258	8.9
174.13788	1.7
175.14822	14.4
177.09064	1.6
177.16386	9.3
181.04939	17.3
183.11743	2.5
185.13213	3.7
186.13803	1.8
187.14790	15.6
189.09215	1.5
189.16354	13.5
191.17928	2.6
197.13229	2.6
199.14774	9.5
201.16377	21.6
202.16872	1.5
203.10620	1.5
203.17964	11.8
205.15881	4.7
207.17325	1.7
211.14796	3.2
213.16345	16.5
215.14363	2.1
215.17941	5.7
219.13686	1.8
225.16470	2.5
227.17894	2.2
229.19568	2.3
231.17407	2.8
233.15385	3.0
237.16377	1.8
239.17944	2.5
241.12299	1.9
241.19456	1.7
245.15335	4.7
247.16980	3.1
253.19424	3.5
259.16901	12.2
265.19266	1.9
267.21017	3.5
279.20840	1.4
287.19785	1.7
290.78452	1.2
299.20090	2.3
327.23093	1.6
341.16049	1.4
353.24799	1.9
362.73370	1.4
389.32269	7.9
389.36243	1.7
399.04230	1.3
407.33218	11.1
409.30920	19.8
410.31207	1.7
425.33893	1.8
435.32556	30.5
436.32654	3.0
453.33826	11.1
453.95700	1.4
469.33044	3.4
470.33398	1.9
651.38171	9.6
651.49048	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.7
55.01843	1.3
55.05505	8.0
57.07079	1.5
58.39140	1.2
65.03925	2.7
67.05498	8.7
69.07061	8.7
69.14326	11.1
71.04979	1.8
77.66856	1.2
79.05486	9.3
81.03416	1.5
81.07056	19.3
83.04956	2.1
83.08620	4.0
85.06538	2.8
89.03904	1.5
91.05470	27.3
93.07038	28.0
95.04958	5.3
95.08601	25.6
97.06550	2.6
97.10159	1.6
101.01571	1.2
103.05402	1.2
105.07021	28.0
107.04932	1.5
107.08591	32.8
109.06497	3.3
109.10133	15.5
111.08037	2.5
117.06996	5.3
119.04934	28.5
119.08573	43.6
120.08877	1.5
121.10130	24.1
123.08078	5.2
123.11681	6.3
125.09608	1.5
128.28497	1.4
129.07025	2.5
130.07767	1.5
131.08568	19.0
133.10121	31.4
134.10428	1.9
135.04340	1.7
135.08073	4.0
135.11694	9.6
137.09625	2.2
141.06943	1.3
142.07805	3.2
143.08542	10.7
144.09322	2.5
145.10120	26.7
147.04398	100.0
147.11656	19.7
148.04784	3.3
149.09579	6.1
149.13237	6.5
151.11224	3.2
153.09073	2.2
155.08559	4.1
156.09265	2.9
157.10123	14.5
158.10858	2.4
159.04594	1.3
159.11690	25.6
161.09627	3.5
161.13240	13.9
163.03925	12.0
163.11205	2.5
163.14821	9.6
164.04211	2.4
165.05479	5.8
167.10712	4.6
169.10114	4.1
170.10890	2.7
171.11697	14.9
173.09602	1.9
173.13258	20.3
175.11223	2.9
175.14806	15.5
176.15227	1.5
177.16379	7.6
179.10735	2.1
181.10072	1.6
182.10930	2.1
183.11684	3.4
185.13228	10.0
187.14806	30.0
188.15157	2.4
189.12750	4.8
189.16377	31.7
189.17972	2.6
190.16710	3.2
191.14305	4.6
191.17975	3.4
195.11678	2.1
197.13225	7.6
199.14780	19.1
201.16368	25.2
202.16718	2.4
203.10603	2.3
203.14369	4.9
203.17937	13.2
205.15857	3.1
207.17332	1.5
211.14909	4.0
212.37012	1.4
213.16348	14.3
215.14412	6.3
215.17912	19.5
217.15866	16.7
217.19382	2.5
219.17368	3.0
221.15485	3.0
225.16412	2.5
227.14429	1.3
227.18016	2.3
229.15862	3.9
229.19479	1.7
231.17371	3.4
233.15398	3.4
235.16878	10.9
239.17963	3.2
241.19519	5.8
243.21083	4.1
247.16843	6.4
249.18758	1.6
253.19508	2.6
255.21173	2.8
257.18875	2.0
257.22681	6.2
259.20486	6.2
261.18518	6.5
265.19540	1.6
267.21039	2.6
275.20084	1.5
287.20111	1.3
291.21143	1.7
303.23199	5.2
377.32019	1.7
387.30426	6.9
389.31860	1.7
393.27655	3.9
395.29309	2.6
405.31509	20.1
406.31772	2.9
407.33597	2.3
421.31030	2.9
423.32596	13.9
428.17899	1.6
433.31097	10.8
441.33701	2.4
451.32132	15.4
452.32498	2.3
469.33112	46.7
470.33316	5.2
556.34052	1.5
651.38239	19.4
652.38184	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	651.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.3
55.05510	2.4
57.07074	1.6
63.02369	0.3
65.03936	0.5
67.05505	3.8
69.07067	3.5
69.29743	2.0
69.30153	0.7
76.99280	0.4
79.05492	3.2
81.07052	9.3
83.08611	4.4
85.06549	2.4
86.87393	0.3
88.38102	0.3
89.03914	6.2
91.05473	4.0
93.07038	8.2
95.04983	0.5
95.08604	17.0
96.08943	0.3
97.10170	1.0
98.23382	0.6
101.19278	0.3
103.05450	0.4
105.06342	0.6
105.07024	7.5
107.08592	12.8
109.06483	0.4
109.10154	6.3
110.10428	0.4
111.04416	0.3
117.03376	19.1
117.07027	0.8
118.03728	0.6
119.08575	7.4
121.06525	0.6
121.10145	10.1
122.10417	0.4
123.08031	0.4
123.11707	4.2
125.05971	0.7
129.06956	0.5
131.08557	3.3
133.10129	5.8
134.03629	2.1
134.57288	0.4
135.04424	2.2
135.11681	10.2
137.05933	0.8
137.13239	5.5
143.08540	2.2
145.02841	44.3
145.10126	3.7
146.03185	1.3
147.04433	0.8
147.11684	4.8
149.04839	0.7
149.05981	8.1
149.13248	12.6
150.13528	0.5
151.07578	0.8
151.11310	0.4
151.14864	1.2
153.05463	2.2
153.96501	0.3
155.08571	0.9
157.10107	2.3
159.11674	4.2
161.09534	0.3
161.13271	4.0
163.03903	2.5
163.11166	0.4
163.14806	1.9
165.16475	0.3
169.10100	0.9
171.11678	3.6
173.09587	0.5
173.13258	3.9
175.11179	0.3
175.14847	1.9
177.05464	100.0
177.12697	0.9
177.16379	10.2
177.84531	0.3
178.05786	3.6
178.16728	0.5
183.11652	1.3
185.13271	2.8
186.05525	0.5
187.11145	0.5
187.14784	2.2
189.12756	0.9
189.16391	3.5
191.14305	0.5
191.17967	3.0
195.06526	31.2
196.06868	1.1
197.13292	1.4
199.14893	1.8
199.16405	0.4
201.12660	0.6
201.16417	1.9
203.10748	0.5
203.14355	0.5
203.17941	7.2
204.18285	0.5
205.12157	0.5
205.15891	1.5
205.19456	0.7
207.17413	0.6
209.13257	0.4
211.14853	0.9
213.16356	0.6
215.14339	3.0
215.17950	1.3
217.15974	0.8
217.19490	2.2
219.13829	0.8
223.13083	1.9
223.15126	0.6
225.16348	1.4
227.17790	0.4
229.19453	0.4
231.14066	0.4
233.15262	0.8
235.13275	0.4
237.16455	0.6
239.17931	0.7
241.15814	1.0
243.13779	0.7
243.17473	1.8
253.19644	0.3
255.17509	0.4
257.18909	0.7
261.14865	1.9
263.16394	0.7
269.19025	1.0
271.16910	0.7
279.20978	0.5
287.16385	0.6
289.17963	1.8
293.22369	0.4
297.18362	0.6
315.19485	1.1
327.23224	0.4
345.24249	1.0
349.28946	0.4
357.24078	0.8
367.29898	1.3
375.30338	1.5
393.31479	4.9
394.31766	0.7
395.29449	1.3
411.32394	2.2
413.30618	1.5
421.31021	3.0
439.32074	12.6
440.32324	1.2
457.33163	2.3
469.33359	0.4
625.04449	0.4
651.39319	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	5.9
62.09757	2.4
67.05503	5.3
67.79826	2.6
69.07069	7.2
69.99551	6.8
79.05489	4.3
81.07074	12.8
83.08614	6.4
84.72683	2.6
89.03914	9.3
91.05492	14.4
93.07051	10.3
95.08612	18.2
98.22610	2.6
103.05442	2.7
105.07008	14.1
106.20213	2.3
107.08573	15.7
109.10160	8.2
114.63676	2.7
117.03391	23.3
119.04890	2.8
119.08582	12.0
121.10143	12.0
123.11698	3.2
131.08582	7.3
133.10132	13.0
135.11676	14.8
137.06017	10.0
137.13263	5.2
143.08588	5.6
145.02841	50.1
145.10147	6.0
147.11693	6.7
149.05986	7.8
149.13301	11.6
151.07547	9.6
153.05516	4.2
157.42317	2.7
159.11694	5.8
161.13278	5.5
163.03911	6.6
165.09113	3.5
171.11769	3.0
173.13306	3.3
175.14853	3.8
177.05475	100.0
177.16411	9.7
178.05872	4.8
185.13168	5.9
188.08319	3.1
189.16389	4.7
191.18034	4.3
195.06502	26.4
199.11171	2.6
203.10689	12.3
213.16530	3.8
261.46124	3.2
354.72147	3.3
393.31494	8.6
411.32639	3.8
439.31937	7.8
651.41553	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	651.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
55.05518	5.0
63.02375	1.3
65.03929	1.6
67.05501	7.9
68.05836	1.0
69.03415	1.2
69.07068	7.6
69.22233	9.0
72.91546	1.0
79.05489	7.4
81.07051	15.2
83.04974	2.7
83.08618	3.5
89.03922	9.6
91.05477	10.9
93.07037	15.3
95.04970	2.2
95.08600	24.2
97.06523	1.5
97.10186	1.8
97.91830	1.0
99.08054	1.2
103.05450	1.2
105.07029	17.5
107.04934	4.3
107.08587	20.7
108.08934	1.2
109.06518	2.6
109.10143	12.5
111.08070	2.7
117.03371	8.9
117.07022	3.0
119.07751	1.8
119.08576	25.8
119.09425	1.4
120.08916	0.9
121.10133	16.4
123.08041	1.1
123.11707	4.4
125.09638	6.1
129.07018	1.7
131.08549	9.6
133.10127	20.8
135.04404	20.5
135.05365	1.6
135.11699	8.4
137.06004	2.8
137.13240	2.1
143.08582	4.3
144.09283	1.8
145.02855	15.9
145.06494	1.1
145.10127	20.7
147.04424	3.4
147.11668	11.1
149.09605	1.2
149.13242	5.8
151.03873	1.0
151.07545	1.7
151.11136	1.6
157.10146	5.6
159.11703	16.7
160.12057	0.9
161.13249	9.8
163.03897	100.0
163.11176	1.9
163.14815	6.7
164.04222	2.1
165.09081	1.2
171.11707	3.5
173.13248	7.9
175.14818	8.5
177.05545	1.3
177.12820	1.5
177.16330	6.9
181.04945	6.7
183.11635	1.6
184.39992	1.0
185.13269	1.7
187.14812	20.5
188.08197	1.4
189.16386	18.2
190.16628	1.1
191.14319	3.4
191.17973	4.6
199.14835	4.4
201.16400	23.1
202.16823	1.8
203.10593	2.0
203.17995	7.8
205.15892	4.2
207.17397	1.3
213.16360	11.5
215.17963	11.9
217.15848	3.9
217.19470	2.1
219.17436	10.9
220.17693	1.5
227.17961	3.1
229.19443	1.9
231.17448	1.8
233.18991	2.4
235.16942	6.9
239.17998	1.2
241.19408	2.7
243.21080	2.1
247.16977	3.8
249.18404	1.2
255.21091	2.3
261.18481	2.9
267.21140	3.5
281.22577	1.3
285.18219	1.0
389.32065	5.7
395.29425	1.9
407.33121	22.1
408.33304	3.0
409.34518	3.1
423.32660	1.4
425.34448	1.9
435.32602	7.4
444.16718	1.0
453.33649	16.4
454.34091	2.7
460.51965	1.1
623.99719	1.1
651.37341	36.9
652.37695	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	651.4082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01952	0.4
55.05502	1.1
57.07059	0.5
57.81869	0.4
67.05502	2.1
69.03432	0.4
69.07059	0.8
71.04950	0.5
74.25558	0.5
79.05482	1.3
81.07030	1.4
83.04965	0.6
91.05463	1.6
93.07034	1.2
94.25822	0.4
95.08595	1.3
97.06528	0.5
105.07021	1.2
107.08586	1.3
109.10179	0.9
117.06963	0.4
119.08527	0.9
121.02879	0.7
121.10149	1.1
131.08492	0.6
133.10187	0.4
135.11646	0.7
143.08545	0.4
145.10162	0.7
147.04463	0.6
147.11636	0.6
149.13301	0.6
151.07564	0.4
153.05531	0.5
163.03804	0.4
166.85922	0.4
177.05461	1.1
177.08920	0.5
189.16315	0.4
189.80122	0.4
197.04187	2.7
211.09462	2.6
217.59163	0.5
275.03476	0.5
279.23093	0.5
323.30322	0.4
331.53903	0.4
340.36420	0.5
415.17072	3.8
416.17633	0.5
437.53116	0.5
440.89890	0.5
461.55835	0.5
463.30258	8.1
464.30560	0.7
469.21692	0.7
478.96524	0.5
537.27954	0.8
651.40375	100.0
652.40851	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	651.4441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60621	0.3
53.26696	0.3
55.05515	0.9
67.05517	1.7
69.03432	0.4
69.07059	0.8
79.05519	0.9
81.03423	0.4
81.07050	2.4
82.60007	0.4
90.47567	0.4
91.05498	1.5
93.07044	1.4
95.04977	0.6
95.08632	1.2
97.06564	0.5
97.10182	0.5
105.07053	1.5
107.08613	1.4
109.10149	1.0
111.04504	0.4
119.04900	0.3
119.08607	1.2
121.10179	1.7
122.03565	0.3
131.08591	0.6
131.79478	0.4
133.10185	0.9
135.11754	0.7
137.06020	1.4
143.08604	0.6
145.02859	0.9
145.06483	0.7
145.10120	0.5
147.11642	0.8
149.06024	0.8
149.13268	0.4
151.07590	1.6
158.07353	0.4
160.02838	0.5
166.33498	0.4
171.24409	0.4
175.07674	0.5
177.05463	2.2
177.16353	0.4
186.01823	0.4
189.09122	1.0
197.04253	3.3
201.09212	0.5
202.09984	0.5
203.10762	1.1
217.12267	0.6
241.12279	1.1
249.18636	1.2
405.30304	1.5
412.35352	0.4
415.17410	1.3
423.31293	0.5
649.86121	0.6
651.44690	100.0
652.45190	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	651.48
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.3
56.08110	0.3
67.05505	0.4
69.40633	1.6
81.07060	0.7
83.08591	0.3
93.07054	0.4
95.08601	0.6
107.08582	0.4
114.97948	0.2
119.41830	0.3
121.10170	0.5
133.10191	0.4
135.11664	0.4
170.90787	0.3
177.05487	0.3
184.07388	0.3
200.77031	0.3
383.46686	0.3
415.84207	0.3
570.24042	0.3
651.48065	100.0
652.48401	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	652.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.9
55.01853	0.2
57.03429	0.6
64.01858	0.3
69.03431	5.5
70.29124	0.3
70.29465	1.0
71.04997	0.4
73.02908	1.4
79.01851	0.6
81.03410	3.0
83.01337	0.3
85.02895	2.0
86.76535	0.2
87.04446	1.2
96.58150	0.2
97.02894	1.4
99.04459	0.7
99.09935	0.2
101.02392	0.3
103.05439	0.4
108.04478	0.4
108.11864	0.3
109.02874	2.5
119.04950	0.4
125.02348	0.4
127.03915	5.8
131.04947	0.4
137.05951	0.6
143.03413	0.5
145.04930	0.6
147.04413	0.6
148.30222	0.3
153.01819	8.6
153.02951	0.5
157.02840	0.8
159.04460	0.3
159.76343	0.3
163.03903	0.3
171.02925	0.4
173.02223	0.4
175.03874	1.6
185.02324	1.0
187.03874	3.2
191.03494	0.6
201.01845	0.7
203.03389	2.8
207.28040	0.3
213.01842	2.8
215.03389	3.5
229.01306	1.1
230.01794	0.3
231.02863	16.8
232.03209	0.8
241.01291	2.8
247.02429	2.0
257.00803	1.7
259.02371	28.9
260.02725	1.3
261.03760	0.3
275.01807	2.6
276.02612	2.2
277.03412	100.0
278.03745	4.2
285.00180	1.5
289.03342	0.5
294.55447	0.3
303.01331	27.4
304.01605	1.5
315.07227	0.4
321.02435	1.1
385.05237	0.6
429.04147	0.4
447.05545	5.5
465.06577	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	652.114
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85795	0.7
53.03936	1.0
53.57726	0.7
69.03415	1.0
70.06554	0.8
71.31995	0.8
79.01844	2.1
81.03399	2.7
85.02911	0.8
97.02882	1.4
99.04469	0.9
107.76741	0.6
109.02887	1.4
125.02346	0.9
127.03902	3.0
129.51408	0.8
143.03403	1.8
145.04915	0.8
147.04390	0.7
153.01813	32.9
153.02925	2.3
154.02155	1.1
157.02762	0.8
171.02925	1.2
174.91814	0.6
175.03908	1.1
177.52452	0.6
185.02222	0.9
187.03885	4.6
195.02863	0.8
203.03351	3.2
213.01805	3.0
215.03374	3.1
231.02887	15.6
232.03189	1.0
241.01265	3.2
247.02264	0.9
257.00739	1.0
259.02353	28.2
260.02753	1.5
275.01843	1.2
277.03403	100.0
278.03714	5.3
285.00357	0.8
303.01334	13.0
313.96161	0.7
315.07010	1.1
321.02411	2.9
447.05386	1.1
532.30627	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.114
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35534	0.4
50.86675	0.2
51.02370	0.4
53.03936	0.6
66.94936	0.3
68.39040	0.3
69.03410	0.8
71.04994	0.4
79.01855	2.3
81.03419	2.4
81.51974	0.3
85.02891	0.8
89.09850	0.3
97.02889	3.0
99.04443	0.7
102.19999	0.3
103.05474	0.5
107.01335	0.3
109.02888	2.6
125.02361	0.9
127.03909	2.6
131.04895	0.5
143.03386	2.4
145.05000	0.5
147.04367	0.5
153.01822	30.8
153.02908	1.7
154.02130	0.9
157.02879	0.6
159.04404	0.3
161.67473	0.3
171.02901	2.0
173.02303	0.3
175.03922	1.4
185.02351	1.1
187.03915	4.6
203.03342	2.2
213.01820	2.3
215.03413	2.8
229.01300	0.4
231.02872	17.3
232.03163	0.6
241.01250	2.6
242.01573	0.3
247.02341	0.9
256.51111	0.3
257.00836	0.7
259.02368	27.2
260.02750	1.6
275.01883	1.4
276.02618	0.9
277.03412	100.0
278.03735	5.2
285.00299	0.4
297.05945	0.9
303.01337	10.7
304.01740	0.5
315.07043	1.4
321.02380	3.1
345.02386	0.4
352.92664	0.3
385.05618	0.5
429.04260	0.6
447.05634	2.9
608.85980	0.3
617.07544	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.01857	0.3
59.77587	0.2
63.53927	0.2
65.03938	1.0
65.30802	0.2
67.05489	1.0
69.03432	0.3
70.11630	0.3
71.32482	0.4
78.40642	0.3
79.01851	0.4
81.03409	1.2
85.02895	0.4
93.03387	0.3
95.04956	0.6
97.02859	0.5
105.04517	0.4
108.02087	1.5
109.02872	1.2
111.04432	0.6
117.17204	0.2
117.62279	0.3
123.04426	0.8
125.02349	0.4
127.03901	0.6
132.46738	0.3
136.01532	0.4
137.05966	1.0
141.05498	1.3
143.03378	0.8
151.03902	100.0
151.04964	6.4
152.04228	3.6
152.05362	0.4
153.01819	11.5
153.02852	0.5
154.02162	0.5
161.05948	0.4
169.05026	0.6
171.02942	0.9
189.09088	0.3
231.06599	0.6
258.96329	0.3
268.55661	0.3
277.06967	0.3
295.08057	0.8
297.06116	0.7
332.15930	0.3
465.10196	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.8
55.01865	2.6
55.05509	9.3
57.03418	4.0
57.07078	3.1
61.02922	2.2
65.03948	1.4
67.05502	20.1
69.03432	6.4
69.07063	14.2
69.45120	7.4
71.04998	2.6
77.03922	1.7
79.05487	12.8
81.03431	6.9
81.07054	29.7
83.04983	6.3
83.08613	6.2
85.02893	16.7
85.06544	5.8
86.09703	3.2
91.05482	15.0
93.06456	1.9
93.07040	29.8
94.07369	1.6
95.04955	4.5
95.08601	52.3
96.08956	1.3
97.02882	7.4
97.06503	3.6
97.10162	4.9
99.04436	3.0
99.08071	1.4
101.06016	6.0
103.05470	2.5
105.07033	30.5
107.04938	2.3
107.08595	38.7
109.02869	3.3
109.06506	4.6
109.10152	35.2
111.08085	5.8
111.11685	2.8
117.07024	6.0
119.08578	36.3
121.06571	2.7
121.09269	2.5
121.10139	41.5
122.10429	1.8
123.04430	1.7
123.08100	2.6
123.11697	11.5
123.91345	1.3
125.09633	2.1
127.03918	4.0
128.06207	2.4
129.07007	6.8
131.08559	22.1
133.06503	3.5
133.10129	27.3
135.08057	3.6
135.11693	35.2
137.05975	8.9
137.09622	3.8
137.13264	3.8
141.06982	3.6
142.07797	4.0
143.08543	14.1
144.09258	1.6
145.04964	3.1
145.06477	2.2
145.10127	35.0
147.04437	1.5
147.08041	3.3
147.11678	21.1
148.11916	1.7
149.05968	2.2
149.09581	3.0
149.13242	14.5
150.13567	2.6
151.03891	5.4
151.07541	4.9
151.11195	2.7
153.01849	1.8
153.05528	1.7
153.06900	1.5
155.08553	8.3
156.09306	2.5
157.10101	16.4
159.08081	3.1
159.11699	32.2
161.05966	5.0
161.09651	2.4
161.13245	14.3
163.03902	4.7
163.07568	2.4
163.11150	4.3
163.14804	17.8
165.09064	3.4
165.12762	2.7
167.06982	1.5
167.08495	1.8
168.09348	3.2
169.10159	10.0
171.11690	21.7
173.09584	3.8
173.11804	2.4
173.13234	17.8
175.07518	3.7
175.11205	5.6
175.13573	1.3
175.14793	7.6
177.05548	2.0
177.12814	2.6
177.16371	8.4
179.14317	2.8
180.08640	2.1
181.10135	4.4
182.10835	2.4
183.11690	30.5
184.12160	1.9
185.09781	1.8
185.13249	35.5
186.13525	1.6
187.11180	7.1
187.14807	15.0
189.12753	4.4
189.16383	29.5
191.10667	1.6
191.14294	3.0
191.17938	100.0
192.18307	4.6
193.12305	2.5
193.15868	2.8
195.11732	4.3
196.12491	1.4
197.13214	5.7
199.11140	2.8
199.14818	5.6
201.12730	20.9
201.16362	10.5
203.07117	1.8
203.10706	2.8
203.14297	4.7
203.17952	9.2
205.08488	2.3
205.12196	3.0
205.15880	2.1
205.19490	2.6
207.17433	35.2
208.17833	1.9
209.11632	3.0
209.13361	3.2
211.14842	5.9
213.16385	3.7
215.14296	4.0
215.17966	4.8
217.12172	5.2
217.19540	6.0
219.13707	6.2
221.11571	1.8
223.14998	1.9
225.16284	1.7
227.05585	3.8
227.14534	1.5
227.17844	1.8
229.12277	8.6
229.14168	3.0
229.16103	2.9
231.13762	23.5
232.14110	2.0
233.11661	3.8
237.16554	2.3
239.12752	3.7
243.13914	1.4
247.13258	17.3
251.18138	1.8
253.15756	1.5
253.19328	2.1
255.17392	1.7
257.15179	1.8
261.14819	2.5
263.18130	1.6
265.14313	12.3
277.19693	2.3
283.15332	3.0
285.11157	2.1
309.11649	1.9
309.18530	1.8
325.21738	1.7
336.63031	1.7
343.22507	1.3
349.21405	1.8
349.29099	2.0
367.12628	3.4
373.28818	5.8
391.29919	10.6
409.30905	8.2
419.29407	18.3
425.30331	2.0
427.32025	5.1
437.25726	4.5
437.30521	77.7
438.30896	10.3
438.36258	2.0
455.31583	63.8
456.32077	9.3
473.32455	2.6
481.78790	1.8
579.69159	1.5
621.23395	14.6
623.48505	1.5
640.08234	1.6
652.38544	6.6
653.21954	1.5
653.37744	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	653.2074
Annotation	5-Methoxyafrormosin 7-O-laminaribioside
Peak:m/z	Relative Intensity
51.13425	0.1
54.01079	0.2
58.01939	0.2
58.52626	0.2
69.03416	0.3
69.82246	0.2
71.32218	0.2
75.94448	0.1
84.98238	0.2
85.02855	0.5
95.04887	0.2
96.89375	0.1
99.92961	0.2
105.07038	0.2
149.05978	0.3
150.92006	0.2
151.03831	0.2
153.01782	0.3
158.53033	0.2
181.04919	0.6
223.82245	0.2
257.08032	0.2
280.21881	0.2
285.07770	0.2
286.08334	15.4
287.08600	0.9
314.07825	52.2
315.08231	3.2
327.08469	0.3
329.10172	100.0
330.10498	6.7
371.11270	0.3
467.26810	0.2
491.15479	70.4
492.08472	0.4
492.15829	7.9
526.21466	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.235
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49544	1.5
55.05513	6.3
57.07079	3.1
67.05504	7.1
69.07063	9.7
72.08145	1.8
79.05498	8.5
81.07043	17.3
83.08614	8.2
89.03925	6.0
91.05479	6.1
93.07043	16.2
95.08599	34.4
97.10152	3.3
98.80452	1.8
105.07034	13.8
107.04960	3.6
107.08578	26.7
109.06478	2.2
109.10141	15.5
111.08068	1.7
117.03371	7.8
117.07019	3.7
119.08579	20.5
121.10143	22.6
123.04444	2.9
123.11692	9.0
131.08603	4.3
133.10133	15.4
135.04413	13.0
135.08107	1.8
135.11687	14.8
137.05934	8.1
137.13264	8.1
143.08571	2.8
145.02844	11.9
145.10141	7.4
147.04445	2.1
147.11682	16.2
149.13237	8.7
151.07625	2.6
153.09077	2.3
159.11690	5.5
161.13303	6.2
163.03899	73.6
163.07626	2.5
163.14835	5.7
164.04276	2.8
167.11868	3.0
171.11690	3.4
173.13278	4.8
175.14813	9.8
177.16383	17.5
177.36414	1.9
181.04906	16.8
187.14876	4.9
189.05237	2.0
189.16373	21.5
191.17967	5.2
195.11427	3.2
199.14818	2.8
201.16321	9.6
203.17958	23.5
205.15862	3.1
207.17395	2.4
213.16283	11.4
215.18010	7.7
217.19720	3.6
229.19696	2.0
247.17091	2.0
259.17026	7.7
261.18567	3.3
371.67542	1.7
391.33521	4.2
409.34531	8.6
411.32632	10.6
415.13400	2.3
436.22488	1.8
437.34167	14.5
455.20636	2.6
455.35178	21.7
653.23560	100.0
653.40240	11.8
654.23523	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	653.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47083	0.3
69.22581	1.3
69.23003	1.1
81.03436	0.5
81.07063	0.4
91.05483	0.4
96.01852	3.5
96.02414	0.4
96.42001	0.4
107.05052	0.3
107.08585	0.5
121.74813	0.3
131.56580	0.3
135.04408	0.6
137.05988	1.1
139.11514	0.3
141.05263	1.2
151.03891	0.7
151.07495	0.3
167.07028	0.5
169.04721	0.8
178.09731	1.0
185.04240	0.6
189.05156	1.0
205.08376	0.6
215.41336	0.3
219.06314	1.2
223.09433	1.9
234.08636	4.5
235.09207	0.4
265.10535	0.4
267.12051	1.1
277.10422	0.4
295.11670	0.5
303.12360	0.6
309.13153	1.2
321.13092	0.5
329.34460	0.3
339.14145	1.3
349.12628	3.1
349.16284	0.5
351.14316	0.4
367.13605	5.2
367.17551	0.5
369.15204	2.5
383.13092	1.2
385.14722	0.6
411.16284	1.9
425.18018	0.8
429.17233	2.8
441.17416	0.4
598.34589	0.5
653.27765	100.0
654.28180	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	653.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47083	0.3
69.22581	1.3
69.23003	1.1
81.03436	0.5
81.07063	0.4
91.05483	0.4
96.01852	3.5
96.02414	0.4
96.42001	0.4
107.05052	0.3
107.08585	0.5
121.74813	0.3
131.56580	0.3
135.04408	0.6
137.05988	1.1
139.11514	0.3
141.05263	1.2
151.03891	0.7
151.07495	0.3
167.07028	0.5
169.04721	0.8
178.09731	1.0
185.04240	0.6
189.05156	1.0
205.08376	0.6
215.41336	0.3
219.06314	1.2
223.09433	1.9
234.08636	4.5
235.09207	0.4
265.10535	0.4
267.12051	1.1
277.10422	0.4
295.11670	0.5
303.12360	0.6
309.13153	1.2
321.13092	0.5
329.34460	0.3
339.14145	1.3
349.12628	3.1
349.16284	0.5
351.14316	0.4
367.13605	5.2
367.17551	0.5
369.15204	2.5
383.13092	1.2
385.14722	0.6
411.16284	1.9
425.18018	0.8
429.17233	2.8
441.17416	0.4
598.34589	0.5
653.27765	100.0
654.28180	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	653.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77978	0.4
55.05504	0.7
57.07079	0.6
58.06598	1.6
63.85907	0.4
67.05498	3.4
68.99796	0.5
69.07044	0.6
69.37234	3.0
71.05000	1.3
76.40122	0.5
79.05486	1.2
81.07048	2.5
83.04979	0.9
83.08595	0.7
85.06535	0.5
86.60229	0.4
91.05502	1.7
93.07050	1.4
95.04961	0.7
95.08609	1.8
97.06530	0.6
98.23394	0.7
105.07035	2.0
107.08608	1.1
109.10172	1.4
111.04284	0.7
111.08115	0.7
113.05970	0.4
117.07088	0.5
119.08607	0.9
120.23444	0.5
121.06544	0.5
121.10148	1.2
131.08595	0.9
133.10097	0.8
137.05904	0.7
137.09650	1.2
139.11188	0.8
144.10201	0.6
145.10129	0.7
149.09547	0.6
151.07675	0.5
151.11131	0.5
155.07016	2.2
155.10692	0.5
161.06036	0.6
161.09650	1.2
161.13339	0.5
163.07594	0.5
165.05652	0.5
173.09630	0.7
175.07472	0.6
179.07028	0.6
184.07367	0.6
185.06239	0.5
189.05524	0.4
189.09149	1.1
191.06990	0.6
199.07510	0.5
205.08582	0.6
213.09131	0.7
217.08725	1.2
225.05391	0.5
225.09088	0.5
229.05161	0.5
231.06557	0.6
235.09560	0.7
235.13310	0.9
236.14920	3.5
237.15021	2.1
241.08705	0.5
243.10106	2.1
245.08076	4.0
247.05702	0.8
248.06491	0.9
255.10243	0.7
257.07999	0.6
261.11258	2.0
263.09030	3.2
265.08682	0.7
269.08188	0.9
269.11563	0.8
280.10962	0.8
285.15039	0.8
287.09116	1.2
293.11844	0.9
295.13190	0.7
311.09357	0.9
311.12704	0.8
313.14331	1.0
315.12234	1.2
321.11182	0.8
329.10190	2.5
329.13751	3.1
330.10565	0.5
331.18875	0.6
339.12366	1.3
343.18497	0.6
347.14612	3.4
353.13757	0.6
355.15350	0.5
357.13226	0.7
366.11118	0.6
371.18411	1.7
381.13205	1.5
381.17163	1.0
390.24921	1.0
399.14063	36.5
400.14279	2.9
417.18881	100.0
418.19299	7.6
435.18240	0.8
453.19064	2.1
455.20789	0.5
471.23871	0.7
522.19122	0.8
565.24335	2.8
583.25592	0.9
617.29492	0.5
635.29480	6.9
636.28497	0.7
652.48004	2.5
653.31519	13.3
653.40265	2.9
653.48022	1.8
654.32678	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09550	3.1
53.03947	4.5
54.99606	2.9
55.01862	6.5
55.05504	7.3
65.03946	5.9
67.05498	15.4
69.07067	10.2
69.27885	26.3
76.00046	3.7
76.47834	3.0
79.05493	10.4
81.07055	20.8
83.08599	9.1
89.03925	6.7
91.04973	3.9
91.05473	22.7
93.07037	19.8
93.40517	3.9
94.04232	4.3
95.04984	5.0
95.08599	34.2
98.23370	3.9
103.05464	10.1
105.07025	21.6
107.04977	8.1
107.08586	23.1
108.02012	3.6
109.10153	14.2
114.81451	3.6
115.05463	6.1
117.03376	13.1
117.07013	7.2
119.04935	9.7
119.08568	19.6
121.06507	6.5
121.10129	18.4
122.03653	4.7
123.04408	5.4
123.11671	4.5
128.06250	8.6
129.06987	8.8
131.04918	7.5
131.08568	12.6
133.10146	14.7
135.04404	19.2
135.11710	17.4
137.05975	53.2
137.13264	7.1
143.04912	4.8
143.08546	13.7
144.05621	3.2
145.02847	11.6
145.06476	12.8
145.10126	13.4
147.04391	19.7
147.11674	11.8
148.05006	3.9
149.05965	8.3
149.13245	13.8
151.03906	52.1
151.05011	8.3
151.07520	22.9
153.05461	5.5
155.10625	3.6
159.08130	6.8
159.11682	10.4
161.05962	23.9
161.13240	10.1
162.47636	3.2
163.03896	100.0
163.07553	9.0
164.04231	6.1
165.05482	6.4
165.09058	5.6
168.09540	3.7
171.08057	8.6
171.11734	7.5
173.09567	4.7
175.07585	11.5
177.05522	4.9
177.09076	7.1
177.16388	12.6
181.04962	11.2
183.11679	4.1
185.06041	3.8
185.13257	8.3
187.07516	6.2
188.08296	7.9
189.09084	7.2
189.12700	4.5
189.16415	9.3
191.10562	4.2
201.09042	5.3
201.16319	4.4
203.10672	20.6
203.14346	8.0
203.17952	10.6
205.08524	5.1
205.15869	6.4
211.11169	3.7
213.12755	4.5
219.08058	4.4
219.10246	5.7
221.11691	16.4
237.45911	3.3
243.13873	5.2
252.64342	3.8
266.09058	3.4
277.08432	4.4
285.11237	3.7
297.11191	5.7
299.12875	3.6
310.11932	4.9
319.08545	3.7
323.12921	4.8
375.64090	3.4
401.13730	3.6
409.30811	4.3
437.30341	8.4
455.31296	17.5
461.15753	5.3
489.19022	5.7
653.34943	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	653.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02298	0.8
53.03935	1.3
54.57193	0.7
55.05498	2.3
57.07053	2.2
59.05002	1.5
67.05495	4.7
69.03423	2.5
69.07071	4.7
71.04987	1.4
74.89103	0.9
79.05481	6.7
81.07059	12.4
83.04967	1.7
83.08595	1.1
87.04437	1.0
91.05473	4.4
93.07051	4.6
95.04959	2.1
95.08604	5.6
97.06518	6.7
105.07004	5.8
107.08597	7.6
109.06505	2.1
109.10149	1.7
111.08064	1.8
111.11758	1.6
112.72972	0.8
113.06027	1.2
117.07013	1.2
119.08580	3.4
121.06489	2.3
121.10139	7.9
123.08045	1.3
123.11691	2.4
124.83910	0.8
125.09627	1.2
129.06923	1.0
131.08530	1.8
133.06470	1.4
133.10121	3.8
135.11676	2.7
137.06010	1.0
137.09589	2.0
139.11166	15.3
141.12740	6.0
143.08461	1.2
145.06441	1.1
145.10132	2.3
147.08066	1.6
147.11696	1.4
149.06035	0.8
149.09608	3.8
151.07510	0.9
151.11095	1.0
159.07994	2.1
159.11729	1.5
161.05945	2.2
161.09576	1.9
162.06743	1.0
163.07468	1.6
167.10643	5.7
171.07993	1.2
173.06068	0.9
173.09549	1.7
173.13271	1.2
175.07515	3.0
175.11154	1.2
177.05428	3.6
177.09071	1.1
178.06274	1.7
179.07018	2.4
187.07481	1.2
187.11177	4.2
189.09085	2.0
191.06958	4.2
191.14233	1.7
193.15871	2.8
199.07498	1.5
200.08252	2.2
201.09035	1.7
202.09901	0.9
203.06992	2.0
203.10640	8.5
205.08556	0.9
207.06467	2.0
209.08099	1.9
209.15350	1.3
213.09116	4.5
214.09854	1.8
215.07007	2.6
215.10629	4.1
217.08678	1.7
219.06592	1.3
219.13850	1.4
221.08162	2.7
221.15331	4.8
225.08994	1.2
227.10680	4.7
228.11261	1.0
229.08563	13.1
229.12148	1.0
230.09340	12.9
231.10138	17.2
232.10867	2.7
233.11630	0.9
237.14854	9.1
239.09097	2.4
241.08595	2.0
242.12886	2.6
243.10144	7.4
243.13710	1.3
245.11761	2.9
249.11182	4.4
251.12793	1.8
255.10109	2.7
257.11557	2.1
257.15353	4.3
259.09653	19.5
259.12411	1.1
260.10037	1.7
261.11203	5.3
263.12778	1.2
267.10147	1.5
268.10770	1.3
269.11685	1.5
270.12473	1.8
271.09659	3.9
271.12927	0.9
273.07889	0.9
273.11304	2.3
277.10699	39.8
278.11011	2.2
283.09515	2.0
283.13132	1.0
285.14816	14.6
287.09320	1.0
287.12805	1.1
287.16306	1.4
297.14810	1.7
298.11823	1.9
299.12805	1.3
299.16376	1.2
301.10641	1.4
301.14175	1.3
303.12842	1.1
303.15814	6.4
305.17551	2.6
309.14651	1.7
311.12811	1.4
311.16391	3.3
313.10703	1.3
313.14310	15.7
315.15915	2.4
325.17618	1.2
327.15906	2.8
329.13995	1.3
329.17401	6.2
331.15372	42.3
331.19308	2.3
332.15582	2.6
341.13638	1.8
341.17426	1.4
345.17093	1.3
347.18491	3.0
355.15305	2.6
365.21271	1.6
366.14490	1.5
369.20468	1.3
381.20645	2.1
383.22220	4.6
397.20010	7.4
399.14426	3.9
399.21439	5.4
409.20053	1.6
415.21112	15.6
416.21503	1.4
417.14856	6.8
417.22815	18.6
418.23050	1.6
425.19666	1.9
427.21216	3.9
443.20480	2.4
453.26443	6.3
469.25824	2.5
471.27496	23.0
472.27557	2.3
477.22360	1.3
495.23669	21.4
496.24213	1.9
513.24799	100.0
514.25049	10.4
536.31409	1.9
537.31964	7.3
547.30609	2.5
565.31903	5.3
579.29822	3.9
599.25952	0.9
617.25446	7.5
617.36084	7.4
618.26917	1.7
635.36053	26.7
636.35651	3.7
653.36871	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.0
55.05502	5.3
57.07073	4.7
59.04985	5.3
67.05498	6.8
67.31200	1.8
69.03421	4.0
69.07057	5.6
71.04987	3.8
79.05501	8.5
81.07066	17.1
83.04951	3.4
91.05477	13.1
93.07046	8.7
95.04960	3.7
95.08604	10.5
97.06530	5.0
98.22603	4.0
99.02725	2.1
103.05467	2.0
105.07030	25.7
105.38916	1.5
107.08604	10.1
109.06534	4.6
109.10143	4.6
111.08089	2.7
113.06017	5.4
117.07061	2.5
119.08559	11.5
121.06509	2.1
121.10159	8.5
123.11700	4.2
131.08508	4.2
133.10138	21.0
135.04167	5.3
135.08040	3.2
139.11214	13.8
141.05443	2.8
141.12740	16.6
143.08557	2.0
145.06444	2.1
145.10129	6.0
147.08029	3.3
147.11691	11.0
149.09637	3.4
150.10402	2.3
153.05467	5.0
159.08058	4.1
159.11711	2.7
161.09630	2.6
161.13335	2.4
163.07538	3.5
165.09192	3.7
167.10701	4.3
173.09624	2.3
175.07529	5.1
175.11212	5.8
177.05516	3.0
177.09106	2.5
185.09654	4.0
187.11212	5.8
189.09163	2.5
189.12775	2.9
191.07021	8.8
193.08652	6.9
193.15929	2.3
201.09142	2.6
203.10753	11.7
205.08533	2.5
207.06557	3.7
207.13885	2.4
209.08211	2.0
209.15295	2.7
211.09622	18.7
212.33182	1.6
213.09129	3.2
214.09676	2.0
215.07098	2.2
215.10646	4.2
217.08511	3.4
219.06491	2.8
219.10207	1.9
225.11189	4.1
227.10596	1.8
229.08536	10.0
230.09282	9.1
231.10120	20.5
233.11725	1.9
237.14812	16.6
238.15143	1.8
243.10179	5.3
243.14005	2.2
243.17516	1.7
249.11201	6.1
255.09970	2.0
257.15250	2.5
259.09631	38.7
261.11169	5.4
262.29520	2.1
267.10254	1.7
269.11731	2.0
269.15347	2.5
271.09607	2.9
273.14941	1.9
277.10690	63.4
278.11075	2.7
285.12100	2.3
285.14801	14.3
298.12039	2.5
301.10446	13.6
301.13657	2.4
301.21567	2.0
303.15799	2.3
311.16470	6.0
313.14258	18.9
329.17520	16.0
330.17877	2.1
331.15350	19.4
341.13565	7.2
347.18576	3.3
355.15228	19.6
359.14560	19.2
371.14102	2.4
373.16806	1.9
381.20767	3.1
395.18259	7.0
399.21594	6.6
411.17615	3.6
413.19379	10.9
417.22925	47.0
418.23056	4.3
429.22559	5.8
443.20612	2.9
471.22867	4.8
477.22073	2.6
495.23822	22.0
496.24191	3.5
513.24841	100.0
514.25354	10.4
537.24390	7.4
577.27094	2.7
593.34375	2.3
617.34570	4.5
635.35663	18.0
653.37744	10.0
654.37531	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	653.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.0
55.05506	4.5
57.07054	2.0
63.02363	0.8
65.03943	0.8
67.05500	5.8
69.07065	7.6
69.23821	3.9
74.60072	0.4
77.03903	0.6
79.05508	4.8
81.07050	14.8
83.04966	0.8
83.08614	6.6
85.06532	1.2
89.03905	7.5
89.50938	0.5
91.05476	6.4
93.07039	11.9
95.04951	1.5
95.08599	24.7
96.08875	0.6
97.10153	1.4
98.22560	0.7
101.06017	1.5
105.07015	9.5
107.04944	3.8
107.08588	18.6
108.08937	0.6
109.10149	9.0
117.03362	7.7
117.07013	1.6
119.06026	0.5
119.08575	10.1
121.10135	18.0
122.03716	0.6
123.11707	5.5
128.06230	0.7
129.06981	2.2
131.04929	0.6
131.08586	4.5
133.10120	8.0
135.04407	18.8
135.11682	17.4
137.05943	3.2
137.09598	0.7
137.13246	7.8
139.03902	0.9
141.06966	1.0
142.07700	0.8
143.08543	3.8
145.02844	12.1
145.10109	6.0
147.04410	1.0
147.11674	7.5
149.05954	0.8
149.08434	0.5
149.09628	0.6
149.13248	18.0
149.14439	0.9
150.13623	0.8
151.02840	0.5
151.03885	3.4
151.04985	0.8
151.07553	1.7
151.14798	2.1
155.08510	2.0
157.06564	0.6
157.10085	3.3
159.11661	4.6
160.12462	0.6
161.05959	0.9
161.09579	0.8
161.13266	4.1
163.03891	100.0
163.11092	0.8
163.14813	1.6
164.04289	3.1
165.12714	0.5
167.08487	0.6
169.10144	2.3
171.07948	0.6
171.11684	7.0
173.09666	0.8
173.13246	3.1
175.07510	1.1
175.11200	1.5
175.14835	2.4
177.12752	0.7
177.16382	15.5
178.16681	0.8
181.04956	17.9
181.10138	1.5
183.08029	0.6
183.11653	4.2
185.09566	0.6
185.13246	3.9
187.07526	1.3
187.11234	1.3
187.14832	1.5
189.09062	0.7
189.12740	3.1
189.16365	7.2
191.10684	0.9
191.17894	2.9
195.11699	1.3
197.13239	3.1
199.11226	0.9
199.14832	2.0
201.12773	2.0
201.16310	2.6
203.10664	1.3
203.14320	3.8
203.17937	12.0
205.15892	2.2
205.19505	1.2
207.11691	0.6
207.17424	0.7
209.13237	1.2
211.14748	1.6
213.12717	2.6
213.16444	1.1
215.14297	1.9
215.17972	1.3
217.19484	2.0
223.14824	2.7
225.16492	1.3
227.14180	0.5
227.17838	0.9
229.12234	1.2
231.13832	1.1
237.16298	1.6
239.12695	1.2
239.18031	0.8
241.15938	1.8
243.13838	1.3
243.17480	0.9
245.11850	1.0
255.17424	1.3
257.15375	1.3
259.13342	2.3
259.17004	1.1
267.17508	0.9
287.16385	2.4
294.12469	0.6
297.21945	0.6
299.08997	0.8
301.17776	1.1
303.15698	0.7
305.17532	0.9
309.21909	0.7
331.19043	0.7
343.22379	1.3
347.27490	0.6
365.28336	1.0
373.23547	1.1
373.28946	0.7
391.29987	3.8
409.30850	5.5
411.28870	1.6
419.29214	1.4
425.30789	0.6
425.51462	0.6
427.32007	2.0
429.30048	1.8
437.30359	7.2
438.30957	1.0
455.31506	17.4
456.31934	2.2
529.83472	0.6
653.25757	1.1
653.36707	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	5.3
56.05043	0.6
57.05801	0.6
67.05475	0.7
68.04651	1.1
68.05022	19.4
69.07049	0.6
69.93070	0.5
70.06586	4.7
71.32900	0.7
72.08151	60.7
73.08466	0.9
79.77120	0.5
83.08033	0.4
85.59842	0.4
86.09701	12.9
91.05470	1.1
93.06995	1.0
95.08598	1.0
100.07613	4.9
105.07013	0.6
109.10084	0.8
110.09674	0.7
119.08580	0.6
120.08101	6.7
122.09649	0.6
131.08476	0.6
137.05983	1.0
139.12297	13.6
147.04356	0.8
163.03905	1.5
167.11787	100.0
168.12199	3.7
168.64705	0.6
174.12781	1.0
175.14909	0.6
185.16463	8.1
195.11284	65.9
196.11604	2.8
213.15953	7.5
219.14851	1.0
239.21085	0.6
249.19513	0.5
266.18622	3.6
269.07651	0.5
294.18112	39.5
295.18436	2.6
312.22751	2.5
315.04721	0.6
360.23087	0.6
379.27008	5.5
380.27209	0.7
407.26486	41.0
408.26913	3.4
441.24756	0.8
442.26505	0.8
478.34033	4.3
479.33734	0.6
506.33340	10.1
507.33502	1.6
653.25220	1.9
653.38818	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63826	0.6
53.03936	2.2
55.01856	1.0
55.05507	4.7
57.07062	2.2
57.33241	0.7
67.05503	8.6
69.07069	7.6
69.51672	3.9
71.43342	0.7
79.05496	7.0
81.07056	19.7
81.81688	0.6
83.08621	5.0
83.77271	0.7
86.09718	1.4
89.03902	8.3
91.05481	9.3
93.07040	15.4
94.07357	0.9
95.04950	1.1
95.08605	29.4
97.10143	2.1
103.05478	1.0
105.07030	12.8
106.07338	0.9
107.04960	3.7
107.08594	20.0
109.06487	0.9
109.10159	11.4
110.10509	0.8
111.08076	1.1
115.05412	0.8
117.03378	9.1
117.07018	2.3
119.08576	12.1
121.10147	18.5
123.11703	7.5
129.06981	1.4
130.32097	0.8
131.08589	5.1
133.10135	10.2
135.04425	21.0
135.11691	20.1
136.04779	1.0
136.11978	1.1
137.05988	4.1
137.13248	7.5
143.08531	2.8
145.02852	13.3
145.06409	0.8
145.10115	7.3
146.03311	0.8
147.04370	1.2
147.11670	9.3
147.12732	1.1
149.05965	1.1
149.13258	15.7
151.03896	11.9
151.05049	1.3
151.07523	2.1
151.14801	1.4
157.10152	2.1
159.11650	5.3
161.05927	1.2
161.09717	0.8
161.13272	7.6
163.03902	100.0
163.14821	2.5
164.04231	4.9
165.09067	0.7
165.12743	1.3
169.10194	0.9
171.08061	0.8
171.11734	3.8
173.13301	3.9
175.07570	1.2
175.14801	6.2
177.05577	1.3
177.16379	13.9
178.16788	1.0
181.04955	22.4
182.05341	0.8
183.11661	0.9
185.13254	1.6
187.14804	3.7
188.08304	1.1
188.15114	1.1
189.16394	7.3
190.16833	1.2
191.14265	1.8
191.17955	5.0
193.15869	1.1
199.14836	2.9
201.16371	6.9
202.16762	1.3
203.10675	1.7
203.17967	15.5
205.12163	3.0
205.15955	1.5
205.19496	1.4
207.17516	1.1
213.16371	2.6
214.17078	0.9
215.17964	4.0
217.19490	4.9
219.17439	2.1
227.17975	1.2
229.15926	0.9
229.19536	2.1
231.17419	1.5
239.17957	1.2
241.19431	2.3
243.13812	1.7
247.16940	2.9
253.19522	0.9
255.21176	1.6
259.20609	1.4
267.21091	0.9
273.18561	1.2
275.20093	1.7
277.17957	3.1
279.10306	0.8
309.11218	1.1
351.30447	1.3
367.82755	0.8
379.33566	1.4
383.33063	1.8
391.33450	2.8
397.34808	0.8
409.34619	21.1
410.34918	1.0
417.19043	0.8
425.34244	4.7
427.35812	2.2
437.34076	2.4
455.35266	13.2
455.41397	0.6
456.35559	1.7
461.15411	1.6
479.17126	1.5
635.31702	1.1
653.33118	3.1
653.42627	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	653.4043
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.8
55.05511	8.1
57.07054	2.7
62.68287	1.7
67.05508	10.0
67.21883	1.3
69.07065	8.3
69.17536	8.8
69.17958	4.9
71.08655	1.4
72.08156	2.9
79.05511	9.1
81.07051	25.9
82.07401	1.8
83.08619	13.5
86.09721	1.5
89.03914	8.6
91.05480	12.1
93.07037	23.1
95.04981	2.1
95.08599	45.9
96.08942	2.4
97.10149	3.2
102.90636	1.6
104.67921	1.3
105.07018	19.9
107.04959	1.9
107.08589	36.1
108.08920	2.5
109.06515	2.1
109.10149	15.2
117.03358	11.2
117.07025	2.4
119.04954	3.0
119.08577	25.9
120.09010	1.9
121.10133	32.5
123.11681	10.8
129.06967	2.8
131.08553	6.1
133.10130	17.2
134.10513	1.7
135.04404	18.3
135.11694	17.7
137.05963	1.9
137.09581	1.4
137.13257	10.1
143.08513	5.2
145.02838	12.9
145.10104	12.5
147.04419	6.4
147.11664	17.9
148.70900	1.4
149.09628	1.6
149.13252	13.5
151.03970	1.6
151.07570	2.4
151.14792	1.6
156.69098	1.3
157.10104	4.7
157.32883	1.5
159.11652	9.8
160.12091	1.4
161.05986	2.6
161.13263	9.4
163.03891	100.0
163.14769	6.9
164.04257	3.4
167.11876	3.5
171.11685	4.3
173.13214	8.8
175.14842	12.7
177.16360	25.1
178.16710	1.6
181.04935	15.5
185.13339	2.1
187.14844	6.9
188.15060	1.4
189.09070	2.1
189.16353	27.3
190.16702	2.6
191.17934	6.7
195.11327	2.7
197.13254	1.8
199.14825	4.6
201.16388	12.3
202.16687	1.9
203.17926	30.5
204.18288	1.6
205.04724	3.6
205.15936	2.7
207.17430	5.1
211.14796	2.4
213.16393	17.8
214.16801	1.6
215.17932	7.6
217.19583	6.3
227.17932	2.0
229.19514	2.2
235.16925	3.7
241.19580	3.7
245.15323	1.7
247.07733	1.7
247.16949	3.0
249.18518	1.7
255.21135	2.7
259.16977	10.8
261.18457	2.0
287.20090	2.2
391.33429	5.7
409.34586	13.4
411.32495	8.6
437.34125	23.1
438.34451	3.6
455.35178	31.0
456.35431	4.6
595.17657	1.8
653.23376	20.9
653.37207	7.3
654.23792	4.9
654.37933	1.4
673.02063	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.4047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.0
55.05508	4.2
57.07081	1.5
65.03934	1.8
67.05503	6.6
69.07079	6.0
69.70202	2.1
69.70605	1.6
77.03891	0.6
79.05499	5.4
81.07059	14.6
83.08617	6.5
91.05479	16.5
93.07042	11.6
95.04974	1.6
95.08606	24.3
97.06516	0.9
97.10165	2.7
103.05467	1.7
105.07028	11.3
106.07333	0.8
107.04933	1.4
107.08591	19.1
109.06513	1.1
109.10154	9.4
115.13376	0.8
117.07024	2.3
119.04937	25.3
119.08585	10.3
121.10139	16.2
123.04430	1.9
123.11712	5.3
125.09593	0.8
129.07004	2.3
131.04924	0.9
131.08551	7.2
133.06508	1.4
133.10130	9.4
135.08112	0.8
135.11685	12.9
137.05965	5.4
137.09698	0.9
137.13255	5.8
143.08557	3.1
145.06424	1.2
145.10130	7.1
147.04404	100.0
147.11644	5.7
148.04758	2.9
149.06015	1.5
149.13252	13.5
151.03923	8.3
151.07553	3.6
152.06195	0.9
153.05429	0.7
155.08458	0.8
155.56804	0.7
157.10120	3.0
159.08081	0.9
159.11664	5.9
161.05965	2.1
161.09509	0.7
161.13251	5.5
163.03926	0.9
163.07431	1.1
163.14819	2.1
165.05473	33.6
165.09180	0.9
165.12723	1.0
166.05739	0.9
169.10110	2.7
171.08002	1.3
171.11710	6.8
173.13283	5.8
175.07506	1.9
175.14793	4.7
177.09085	0.9
177.16383	13.8
183.11693	1.7
185.13252	4.3
187.07521	1.0
187.14818	2.7
188.08380	0.9
189.09085	1.2
189.12723	1.8
189.16397	5.8
191.10654	0.9
191.14305	1.6
191.17978	4.2
197.13263	1.8
199.14816	5.9
199.58940	0.6
201.16347	5.0
203.10703	3.1
203.14275	1.0
203.17957	11.4
205.06374	0.7
205.12184	1.7
205.15889	2.4
207.17331	1.0
211.14842	2.3
213.05354	0.7
213.16400	2.5
215.17967	1.6
217.12270	5.0
217.15781	1.4
217.19493	2.1
219.10194	0.8
219.13766	1.5
219.17439	0.8
221.11804	0.8
225.16377	1.2
227.17989	1.7
229.19525	1.1
231.13756	0.9
231.17380	1.3
237.16365	0.8
239.17862	1.5
245.15317	4.5
253.19672	1.1
257.19165	0.8
265.08716	0.9
266.09058	0.9
271.16925	1.2
275.16415	1.8
285.11270	1.0
293.08127	1.1
299.12701	0.8
325.14322	0.9
349.28918	1.4
367.29865	3.4
381.31522	1.1
389.31885	1.2
395.29395	4.4
407.33060	6.9
425.34140	1.4
427.32104	2.3
429.30237	1.0
435.32513	2.3
453.33704	10.0
461.15823	0.9
471.34726	3.5
490.81238	0.8
591.26160	0.7
653.39569	6.9
654.37939	1.5
674.39844	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00718	1.1
53.03939	2.0
53.09887	1.2
55.05510	7.1
57.07065	2.1
57.44064	1.1
65.03934	3.0
67.05508	7.6
69.07067	8.2
71.14066	2.0
79.05494	9.2
81.03404	1.8
81.07059	15.9
83.04969	1.4
83.08635	5.8
91.05479	19.0
93.07054	15.1
95.04956	3.6
95.08607	26.6
97.10165	2.6
98.63326	1.1
103.05459	3.1
105.04562	1.2
105.07027	14.3
107.04932	3.0
107.08587	20.8
109.06545	1.2
109.10157	14.0
111.04435	1.5
114.88147	1.1
115.05456	1.4
117.03400	2.5
117.07021	1.4
119.04183	0.9
119.04945	25.3
119.08591	15.2
121.10152	21.0
122.03635	1.7
122.88870	1.2
123.04395	2.0
123.11716	5.9
125.05907	1.1
125.09641	1.9
129.07005	2.7
130.07803	1.7
131.04926	2.4
131.08554	8.7
132.08975	1.1
133.06493	1.9
133.10144	11.5
135.11700	12.6
137.05972	17.4
137.13257	7.7
141.07011	1.3
143.08548	4.7
145.02847	4.4
145.06499	3.5
145.10135	8.9
147.04411	100.0
147.11673	9.3
148.04793	4.0
149.06010	2.0
149.13252	15.5
150.13472	1.5
151.03896	16.2
151.05019	1.4
151.07547	9.0
153.05484	1.2
155.08536	1.5
157.10162	3.1
159.08060	2.9
159.11726	6.7
161.05974	2.6
161.13258	5.0
163.03934	2.8
163.07561	3.6
163.14783	3.2
165.05487	34.5
165.09087	1.4
166.05885	1.6
169.10147	3.0
171.08054	2.1
171.11702	5.9
173.09659	2.1
173.13242	7.1
175.07620	3.7
175.14839	4.8
177.05441	8.3
177.09135	2.5
177.16373	17.3
183.11742	1.6
185.13272	4.1
187.07567	2.5
187.14818	6.1
188.08380	2.6
189.09029	3.1
189.12715	2.1
189.16353	9.8
191.17979	4.7
193.15941	1.7
195.06563	1.9
199.14854	5.8
201.16406	6.5
203.07021	1.2
203.10666	6.8
203.14355	1.7
203.17982	12.7
205.12222	4.0
205.15875	2.5
211.07616	1.2
213.16489	2.6
215.17969	2.4
217.12320	6.7
217.15897	2.7
217.19533	1.9
219.10310	1.5
219.13927	1.6
221.11548	1.5
229.15877	2.1
231.17485	2.0
239.17947	1.4
245.15370	5.1
249.09160	1.3
259.17444	1.4
261.44986	1.4
265.19473	1.3
273.18713	1.6
275.16461	2.5
278.09253	1.6
281.08127	1.6
281.11557	1.9
283.09689	1.6
297.11258	1.7
299.09259	1.8
299.12506	1.6
303.19135	1.4
309.11050	2.0
310.11975	3.3
311.12677	2.0
313.10623	2.0
325.10721	2.1
367.29996	4.5
381.31488	1.3
395.29477	5.2
407.33286	6.7
408.33557	1.5
425.34177	1.6
427.31967	2.7
435.32544	4.0
453.33704	10.8
461.16440	1.5
471.34763	2.8
489.18784	2.6
653.39063	17.0
654.40912	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.3
67.05504	1.2
69.07069	0.3
79.05479	0.6
81.07050	0.7
83.04975	0.3
83.08618	0.3
90.68097	0.2
91.05464	1.4
93.07043	1.1
95.04980	0.5
95.08612	0.9
103.05477	0.4
105.07049	1.0
107.04951	0.3
107.08612	0.6
109.10181	0.5
111.04446	0.4
115.05540	0.4
117.07000	0.4
119.04958	0.4
119.08620	0.5
121.10165	0.4
127.11278	0.2
128.06226	0.6
129.07077	0.5
131.04961	0.4
131.08606	0.6
133.06494	0.3
133.10129	0.6
137.05960	3.1
138.06296	0.4
143.08583	1.1
145.02914	0.3
145.06493	0.3
145.10075	0.3
147.04376	0.4
149.06024	0.6
151.03912	2.4
151.04987	0.4
151.07538	1.6
152.07910	0.3
161.06003	0.6
163.07600	0.5
165.09088	0.4
171.08101	0.7
175.07562	0.4
177.05534	0.4
178.07779	0.2
188.08398	0.5
199.06026	0.5
203.10675	0.8
205.08557	0.3
205.12321	0.5
217.08542	0.5
235.07623	0.3
253.12166	0.3
263.10782	1.1
267.10236	0.4
267.13812	0.8
280.10901	0.4
293.11816	0.3
295.13254	1.4
309.11258	0.4
311.09164	0.5
311.12692	0.5
319.21423	0.3
325.10669	0.5
337.22321	0.5
417.19080	0.9
461.15945	0.9
465.31659	0.4
566.55554	0.3
616.72992	0.3
653.33246	5.3
653.42334	100.0
654.34827	0.9
654.42749	14.4
657.45001	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.4591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01839	0.4
55.05504	1.3
64.13938	0.4
64.67692	0.4
65.03934	0.8
67.05508	2.5
69.07065	1.3
69.23732	3.0
79.05482	1.8
81.07066	2.4
83.08624	0.8
85.06572	0.4
91.05478	2.1
93.07037	1.5
94.38856	0.4
95.04980	1.1
95.08607	2.1
98.23326	0.8
103.05508	0.7
105.07033	2.0
107.04978	0.9
107.08588	1.5
109.06517	0.6
109.10162	1.1
110.42020	0.4
111.04388	0.4
117.07043	0.6
117.90002	0.4
119.04951	1.1
119.08592	1.2
121.06487	0.5
121.10149	1.7
121.28690	0.4
123.11703	0.8
125.09582	0.6
127.62945	0.4
129.06979	0.8
131.04935	0.7
131.08513	0.7
133.06494	0.6
133.10126	0.9
135.11673	0.6
137.05965	4.4
139.11237	0.4
143.04948	0.5
143.08539	0.6
145.10144	1.1
147.04410	0.6
147.08032	0.6
147.11714	0.6
151.03908	2.0
151.04965	0.4
151.07530	3.4
157.10159	0.4
159.08127	0.5
159.11687	0.5
161.09624	0.7
162.76376	0.4
163.07533	1.1
165.09117	1.0
171.08006	0.8
173.09619	0.9
173.13257	0.4
175.07576	1.4
175.11198	0.4
177.05469	0.7
177.09265	0.4
183.11662	0.9
188.08420	0.5
189.09126	0.8
191.10597	0.6
194.54225	0.3
196.08919	0.6
201.09097	0.9
201.16446	0.5
203.07103	0.5
203.10634	1.8
205.12241	3.2
211.11147	1.3
214.09830	0.5
219.10112	0.4
221.37511	0.4
235.07637	0.4
243.13751	4.6
247.13048	0.5
263.10672	0.5
279.23181	0.4
281.11911	0.4
291.19434	0.4
295.13126	0.4
297.11340	0.5
299.09195	0.4
299.12833	0.8
311.12625	0.9
313.14410	0.5
327.15796	0.4
337.17828	0.7
339.16022	0.8
353.17383	0.5
355.19046	2.3
367.19086	1.6
371.18378	0.5
373.19922	0.5
399.17670	1.7
417.18909	2.1
455.21051	0.4
529.25702	0.7
591.32794	2.5
635.31659	1.1
653.32819	17.4
653.45654	100.0
654.33063	4.3
654.45923	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	654.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.2
55.01872	2.7
55.05501	0.8
57.03435	2.8
61.02924	5.0
65.03939	0.3
67.05501	1.5
69.03060	0.7
69.03426	11.2
69.07063	1.4
69.26872	0.6
69.27275	1.9
70.03752	0.4
71.04988	1.7
73.02913	1.9
73.06564	0.3
79.05506	1.9
81.03413	5.4
81.07048	2.8
83.01337	0.6
83.04967	0.4
83.08606	0.6
85.02898	50.3
85.06530	0.4
86.03205	0.6
87.04460	0.9
91.03938	2.7
91.05471	5.1
93.07046	2.3
95.04970	1.4
95.08610	2.9
97.02884	17.6
98.03252	0.5
98.06069	0.4
99.04448	2.5
101.02396	0.6
101.05999	0.4
103.03943	0.5
103.05460	9.8
104.05785	0.4
105.07027	4.6
107.04939	2.0
107.08582	3.4
109.02872	4.9
109.06482	1.7
109.10147	1.7
115.05407	1.6
117.06998	1.3
119.04938	3.1
119.08569	3.1
119.47010	0.3
121.02876	0.5
121.06491	1.9
121.10139	2.7
122.03630	1.1
122.87553	0.4
123.04436	2.9
123.11699	1.0
127.03905	10.3
128.04224	0.7
128.06204	6.9
129.05431	0.5
130.04121	0.4
131.04919	7.6
131.08569	1.7
133.06500	1.4
133.10123	3.0
135.08060	0.9
135.11702	2.0
137.05963	19.1
137.09613	0.4
137.13281	0.5
138.06364	1.0
139.11154	0.5
141.06982	0.5
141.41829	0.3
143.04897	0.5
143.08565	8.3
143.09628	0.6
144.06581	1.0
144.08871	0.4
145.04951	17.3
145.06364	1.1
145.10115	2.1
146.05347	0.5
146.07239	0.3
147.04379	1.9
147.08041	1.7
147.11641	2.3
148.05182	6.7
149.05980	5.3
149.09686	0.8
149.13255	1.1
151.03894	1.3
151.07535	11.3
153.01888	0.6
155.05998	0.7
157.06488	0.4
157.10083	0.8
159.08127	0.4
159.11688	1.5
160.05212	0.5
161.05966	9.4
161.09573	1.8
161.13206	1.7
162.06378	0.5
162.07642	0.8
163.06021	4.5
163.07545	11.7
163.11160	0.8
163.14799	0.6
164.08292	3.9
165.07111	0.3
165.07756	0.4
165.09085	3.3
167.03171	0.3
171.06548	0.5
171.08037	9.0
171.11638	0.3
172.08452	0.6
173.09761	0.4
173.13184	1.9
174.06750	1.6
175.07523	0.7
175.14760	1.5
177.05469	0.4
177.09123	0.5
177.12587	0.3
177.16463	1.5
179.08498	0.3
180.08623	0.5
183.06548	0.6
183.08067	0.6
185.13202	0.8
187.14796	3.1
189.09090	25.5
189.16322	1.8
190.09407	1.5
191.06975	0.8
191.14290	0.6
194.16182	0.3
199.14827	0.6
201.16402	1.1
203.07039	0.4
203.10687	1.0
203.18025	0.5
205.15828	3.5
207.17456	0.4
209.08148	0.4
211.07565	1.4
220.08755	0.3
229.08580	0.7
229.14291	0.5
233.15332	0.6
235.11108	0.5
238.09792	0.4
239.07080	1.8
241.08653	0.5
245.08060	0.5
248.08492	0.4
251.06816	0.4
254.09363	1.3
255.10094	0.5
257.07968	1.4
269.08093	0.5
271.09665	0.5
272.10410	7.9
273.10809	0.8
284.10410	1.1
285.11060	0.7
295.13040	0.7
298.12082	0.4
311.13565	0.5
313.14307	100.0
314.14636	9.2
319.10333	0.4
361.11557	2.6
393.31534	3.1
411.32578	2.9
412.32932	0.3
421.30975	0.5
429.33640	0.7
439.31909	2.4
457.33307	2.2
475.34222	10.3
476.34412	0.7
579.25708	0.7
623.24609	3.9
654.38416	0.7
655.27191	3.3
655.39606	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72341	0.2
53.03931	1.4
53.11687	0.3
55.01872	3.1
55.05502	0.6
57.03431	2.4
57.09048	0.3
61.02924	4.4
65.03934	0.4
67.05496	0.9
69.03427	10.2
69.07072	0.5
69.51507	1.7
71.01337	0.3
71.04997	1.5
73.02898	1.5
76.99337	0.3
77.03921	0.4
79.05486	2.2
81.02959	0.5
81.03418	5.8
81.07044	2.2
83.01346	0.6
83.05004	0.5
83.08626	0.4
85.02899	48.1
85.06499	0.3
86.03242	0.8
86.20908	0.3
87.04453	1.0
91.03951	1.3
91.05474	5.6
93.07050	2.3
94.04173	0.4
95.04975	1.7
95.08600	2.2
97.02889	14.6
99.04462	2.1
103.03960	0.4
103.05465	10.0
104.05766	0.3
105.07027	3.4
107.04950	1.6
107.08578	2.3
109.02879	4.5
109.06540	1.5
109.10144	1.9
111.08094	0.3
115.03937	0.7
115.05455	1.6
117.05540	0.4
117.06991	1.3
119.04942	2.1
119.08566	2.4
121.02789	0.3
121.06516	2.6
121.10143	1.3
122.03613	1.0
123.04424	3.1
123.08080	0.4
123.11723	0.6
125.09589	0.4
127.03909	10.5
127.17555	0.3
128.06207	8.4
129.07011	0.6
131.04915	7.2
131.08575	0.9
133.06459	1.7
133.10107	2.0
135.04460	0.4
135.08049	1.1
135.11673	1.4
136.05247	0.4
137.05969	21.0
137.13272	0.3
138.06287	0.7
141.06964	0.6
142.07753	0.3
143.08554	10.0
144.06548	0.8
144.08896	0.7
145.04953	16.4
145.06448	1.5
145.10095	1.3
146.05273	0.6
147.04358	1.3
147.08046	1.4
147.11714	1.3
148.05164	2.9
149.05965	12.0
149.13255	0.9
150.06349	0.6
151.03903	0.6
151.07535	10.2
155.06033	0.5
157.06511	0.4
157.10152	0.6
159.08025	0.4
159.11720	1.5
160.05190	0.6
161.05983	8.0
161.09583	1.9
161.13274	1.2
162.07666	0.4
163.06023	4.2
163.07542	11.0
163.14833	0.7
164.08324	3.4
165.09097	2.5
167.07088	0.3
171.06557	0.6
171.08034	10.7
171.11652	0.5
172.08415	0.5
173.13290	0.8
173.89558	0.3
174.06737	2.4
175.07561	0.8
175.14781	1.4
177.09033	0.4
180.08661	0.6
181.04961	0.8
185.13219	1.2
187.14816	1.5
188.08403	0.4
189.09094	27.2
189.16364	0.9
190.09497	1.2
191.17924	0.7
192.09172	0.3
201.09204	0.4
201.16353	0.6
203.10664	1.2
203.14319	0.7
203.17845	0.3
205.15884	0.6
207.11748	0.4
211.07536	0.5
213.16374	0.6
215.17944	0.5
225.08986	0.4
229.14278	0.5
231.13731	0.5
235.11159	0.6
237.09032	0.6
239.07043	0.5
239.10695	0.4
241.19527	0.4
248.08252	0.5
249.15147	0.3
251.06898	0.5
253.08595	0.5
263.10547	0.9
267.13568	0.4
267.16089	0.4
269.08115	1.1
272.10321	0.6
281.11627	0.4
283.24274	0.7
284.10345	1.7
285.11246	0.8
295.13318	1.9
298.12012	0.3
311.13596	0.7
312.04984	0.3
313.14307	100.0
314.14642	7.1
315.11020	0.3
317.08990	0.4
317.12518	0.5
319.10217	0.5
325.14252	0.6
337.10504	0.8
338.11078	0.7
345.09741	1.0
346.09958	1.2
360.10803	0.4
361.11520	4.2
393.14114	0.5
395.32977	0.7
421.25964	0.5
421.31058	0.9
429.30066	0.3
439.32257	2.0
457.33765	1.4
483.17398	0.8
623.24597	6.1
640.72394	0.3
654.29834	0.4
655.27057	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	654.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
55.05515	4.3
57.03428	2.2
57.07084	1.2
61.02919	1.6
67.05493	7.7
69.03423	4.0
69.07067	9.1
70.59262	3.3
71.04993	2.2
73.02875	1.1
79.05490	7.4
79.65153	1.1
81.03404	3.3
81.07053	21.0
81.07503	1.7
83.04996	4.1
83.08622	6.6
85.02908	9.3
85.06531	1.3
86.09696	1.2
91.05470	10.4
93.07046	21.2
95.04998	2.0
95.08604	27.7
97.02893	4.4
97.06524	1.6
97.10172	3.1
103.05448	3.4
105.07024	31.8
106.07356	1.7
107.04940	3.2
107.08595	30.8
109.06535	1.9
109.10155	14.3
111.08099	2.8
115.05457	1.3
117.06984	6.0
117.09120	1.9
119.08577	36.2
119.26554	1.3
120.08999	1.1
121.06526	1.5
121.10141	31.7
122.10490	1.2
123.08183	1.6
123.11702	5.8
125.09621	1.6
127.03912	1.9
129.07018	2.6
131.04918	2.2
131.08560	23.9
133.10135	34.9
134.10489	1.5
135.04504	1.3
135.08011	2.7
135.11687	23.1
137.05988	7.6
137.13235	1.7
143.08578	3.0
145.10117	39.2
146.10486	2.1
147.11670	20.9
149.05960	2.4
149.09608	2.7
149.13249	10.4
151.03905	9.4
151.07562	2.3
151.11264	1.1
153.01866	1.3
157.10136	4.3
158.10966	1.9
159.11688	29.5
160.11983	1.2
161.05968	2.9
161.09645	1.6
161.13248	30.3
162.13582	2.1
163.03833	1.5
163.07527	2.6
163.11172	23.0
163.14824	12.0
164.08295	1.9
165.05490	2.2
165.08986	2.5
165.12700	1.1
167.07095	1.6
171.11746	5.0
173.13248	28.3
175.14830	24.5
177.09088	2.3
177.12672	2.5
177.16373	19.8
178.16711	1.3
179.14331	2.8
180.08662	4.0
181.04953	2.0
183.11745	1.6
184.07333	1.9
185.13255	6.9
187.14807	93.4
188.15115	5.6
189.09070	1.5
189.16380	62.1
190.16751	4.1
191.14336	2.4
191.17955	3.8
193.04874	1.8
197.13188	2.1
199.14827	3.1
201.16389	10.7
203.06946	2.0
203.14375	1.3
203.18018	3.5
205.15875	94.2
206.16266	6.0
207.13858	1.4
207.17450	23.7
211.14871	1.9
213.16364	4.7
215.14314	3.3
215.17894	7.4
217.15865	1.4
219.17430	4.5
221.15367	1.3
223.16959	5.4
231.17491	2.3
233.15373	25.0
233.18993	2.2
234.15796	1.9
239.17938	1.8
255.82704	1.1
327.12210	3.0
329.10226	2.3
331.15390	4.9
365.32312	1.2
375.30487	6.1
393.31497	100.0
394.31836	11.1
395.33203	1.6
410.71329	1.1
411.32559	38.7
412.32816	5.3
417.01486	1.3
421.30884	21.0
422.31204	1.8
429.33630	6.7
439.32043	17.8
440.32224	1.9
457.32968	11.6
475.34290	1.6
600.66980	1.5
655.31091	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.4
55.05510	6.7
67.05496	10.8
69.03426	4.3
69.07064	16.4
71.04996	3.0
71.18105	5.3
75.33341	2.4
75.35673	2.0
77.03917	2.4
79.05482	17.0
81.03432	4.2
81.07060	33.1
82.02399	2.0
83.04972	3.0
83.08616	5.5
84.28954	1.9
85.02898	6.5
85.06532	6.7
91.05481	14.1
93.07037	33.2
95.04996	3.1
95.08606	50.3
97.10165	5.7
105.07024	25.6
107.08589	53.7
109.10153	26.0
111.11621	2.4
117.07037	8.5
119.08569	24.8
121.10127	28.2
123.11741	13.0
127.03884	4.3
128.44211	2.8
129.06975	2.8
131.08583	12.8
133.10135	22.8
135.11681	61.4
135.12630	3.8
136.11990	2.5
137.05939	6.9
137.09569	3.0
137.13249	6.3
143.08572	9.1
144.95163	2.6
145.02817	3.5
145.10104	20.9
147.11691	18.6
149.13226	18.0
151.03882	3.3
153.01811	3.5
157.10190	11.6
159.11696	15.7
161.05840	2.8
161.13246	20.2
163.03896	3.7
163.11185	5.3
163.14809	58.8
169.10150	4.2
171.11702	13.8
173.13277	9.5
175.14832	17.8
177.05489	5.0
177.12662	3.0
177.16353	16.6
178.34166	2.5
181.10204	2.7
183.11740	3.5
185.13269	25.6
187.14801	11.6
189.12886	2.4
189.16380	18.3
191.17931	15.0
197.13309	4.3
199.14847	9.6
201.16385	8.3
203.14325	6.4
203.17940	19.1
204.20755	2.5
205.15910	2.7
211.14821	3.7
213.16397	13.1
215.18004	4.5
217.12225	3.3
217.15997	3.1
225.16315	2.8
227.14185	2.5
227.17805	3.8
231.13811	4.7
231.17517	5.8
237.16504	2.7
239.17946	6.4
241.15961	2.8
253.19449	2.8
257.15131	2.2
259.16946	7.2
277.17911	12.1
285.18469	3.0
303.19504	3.5
313.14508	2.7
317.21210	3.3
375.30487	5.0
393.31741	5.5
421.31247	16.7
439.32263	100.0
440.32971	12.3
457.33099	8.4
654.30811	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	654.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.7
54.20361	0.5
55.01865	2.2
55.05503	2.5
57.03434	4.3
57.07050	0.4
59.04994	1.3
61.02925	6.3
63.28666	0.4
67.05508	3.2
69.03067	0.7
69.03428	14.3
69.07066	2.2
69.95322	1.7
71.04983	2.0
73.02916	2.1
73.06551	0.8
74.35876	0.4
79.05487	3.6
80.98527	0.4
81.03406	6.8
81.07055	6.0
83.01330	0.6
83.04948	0.7
83.08600	1.1
85.02900	58.6
85.06530	1.2
86.03218	1.0
86.09698	0.5
87.04449	1.4
91.03951	2.5
91.05467	7.4
92.05780	0.5
93.07035	5.8
94.07365	0.5
95.04948	2.3
95.08603	6.0
97.02889	16.5
97.06529	1.0
97.10166	1.1
99.04454	2.8
103.03930	0.7
103.05457	11.7
105.07022	8.1
107.04955	2.8
107.08575	7.6
109.02879	6.6
109.06532	2.3
109.10152	5.9
110.73277	0.5
111.04452	0.6
111.08085	0.6
115.03917	0.7
115.05441	2.0
117.07024	3.1
119.04928	2.9
119.08571	7.4
121.02831	1.3
121.06509	2.3
121.10143	6.3
122.03639	1.0
123.04418	2.8
123.08060	0.6
123.11709	1.7
125.05968	0.8
127.03906	13.2
128.06209	7.6
129.05467	0.6
131.04922	8.0
131.08569	3.3
133.06462	2.3
133.10129	7.3
135.04366	0.5
135.08028	2.0
135.11691	5.0
136.05226	0.6
137.05969	23.3
137.13226	1.0
138.06279	0.7
143.04855	0.7
143.08549	11.7
144.08931	0.5
145.04948	19.2
145.06378	1.2
145.10117	5.0
146.07217	0.5
146.10500	0.5
147.04420	1.7
147.08014	2.3
147.11685	5.2
148.05190	5.5
149.05957	8.3
149.09634	1.1
149.13205	2.2
150.06367	0.6
151.03873	1.8
151.07535	15.4
151.11226	0.7
152.07867	0.8
153.01823	1.0
153.05461	0.4
153.12691	0.5
155.06082	0.9
157.06435	0.6
157.10133	1.4
158.10965	0.7
159.08078	0.7
159.11671	5.6
160.05205	1.1
161.05969	9.7
161.09595	1.8
161.13245	4.3
162.06416	0.6
162.07710	0.7
163.03932	0.7
163.06021	5.7
163.07539	15.4
163.11154	1.9
163.14738	2.2
164.08315	4.8
165.05458	0.5
165.09096	3.3
167.07016	1.3
169.10204	0.7
171.08029	10.4
171.11649	1.5
173.09608	0.5
173.13248	4.6
174.06766	1.8
175.07523	1.1
175.14833	3.4
177.05441	0.8
177.09195	0.7
177.12788	1.0
177.16385	3.7
179.14311	0.6
183.06471	1.0
185.13231	1.4
187.14809	9.1
189.09096	28.1
189.16371	4.8
190.09480	2.0
191.07001	2.3
191.14363	0.9
191.17889	0.8
192.07474	0.5
197.13211	0.7
199.14818	0.8
201.09137	0.7
201.16411	1.8
203.10634	1.4
203.17914	1.2
205.15869	10.0
206.16223	0.5
207.11694	0.8
207.17410	1.6
211.07480	1.1
213.16391	1.1
215.14394	0.6
215.17938	1.7
217.15913	0.7
217.19400	0.8
219.17343	1.0
227.17908	0.7
229.08655	0.9
229.14261	0.8
233.15370	1.3
235.11189	0.9
239.07018	1.5
240.07849	0.5
241.08493	0.7
253.12770	0.5
254.09357	1.3
255.06563	0.5
257.08066	0.8
263.10730	0.5
269.07959	0.9
270.08902	0.8
272.10397	5.4
273.11023	0.8
284.10370	2.0
285.11053	0.6
295.13162	1.2
303.23212	0.5
311.13541	1.1
313.14304	100.0
314.14633	9.3
316.11880	0.6
317.12222	0.6
318.13193	0.7
319.10538	0.9
339.12259	0.6
360.10843	0.6
361.11545	7.7
362.12460	0.7
375.30557	0.9
381.31763	0.7
393.14206	1.3
393.31485	7.9
394.31778	1.0
411.32532	7.1
421.25836	0.8
421.31006	2.0
429.33511	1.5
439.32043	6.2
440.31903	0.7
457.33075	5.6
475.34174	25.4
476.34366	3.3
483.17484	1.1
501.18808	0.6
579.25665	1.2
623.24762	11.0
654.28540	1.1
654.39410	1.1
655.27478	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	654.4213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19532	1.4
53.03941	3.2
54.04598	1.8
55.01871	4.0
55.05269	1.9
55.05501	9.5
57.03431	4.6
61.02924	2.1
65.03936	2.0
65.28090	1.6
67.05506	22.9
69.03420	7.8
69.07062	14.4
70.06576	1.8
71.04989	4.9
73.06588	2.4
75.04481	4.4
79.01856	2.2
79.05492	15.2
81.03429	8.6
81.07057	40.9
83.04990	4.8
83.08611	7.1
85.02908	15.9
85.06538	7.2
91.05482	16.4
92.05787	1.8
93.07047	34.4
94.50085	1.5
95.04982	8.3
95.08023	3.6
95.08606	50.8
97.02886	7.8
97.06517	2.7
97.10152	6.6
99.04453	3.6
101.19028	1.6
103.05466	2.1
105.07034	34.1
107.04954	3.7
107.08594	40.6
108.08829	1.8
109.02866	6.0
109.06522	3.3
109.10154	37.4
111.04455	2.5
111.08073	6.2
111.11710	1.9
117.03358	1.9
117.07004	5.6
119.04940	3.6
119.08580	31.9
121.06530	3.9
121.10147	35.3
122.10500	2.1
123.04433	3.3
123.08033	4.3
123.11729	12.6
125.02341	2.1
125.06077	1.9
127.03909	7.4
129.07016	4.3
131.04916	2.3
131.08562	21.2
133.06509	2.6
133.10133	33.7
135.08098	4.3
135.11693	20.0
137.05971	8.8
137.09604	22.2
137.13268	3.7
139.11130	2.2
143.03432	5.2
143.08577	7.6
144.25000	2.0
145.02850	2.8
145.04947	3.9
145.06255	1.6
145.10132	25.6
147.04396	3.3
147.11699	32.6
147.12854	2.1
149.05956	3.6
149.09613	4.7
149.13246	38.5
151.03909	13.3
151.07550	4.7
151.11171	4.9
153.01831	100.0
153.02911	4.5
153.12747	2.5
154.02203	4.5
157.10120	8.2
159.11700	25.6
161.05995	3.8
161.09695	4.2
161.13260	24.9
163.07556	4.0
163.11194	3.9
163.14793	9.4
165.12746	4.6
167.07063	2.7
169.10123	4.2
171.02925	2.0
171.11728	7.2
173.09692	3.1
173.13246	22.9
175.03922	2.7
175.14841	13.1
177.05501	10.2
177.12766	5.4
177.16386	23.9
179.14301	2.1
183.11649	3.7
185.13278	11.7
187.11134	3.0
187.14824	30.4
189.09119	3.7
189.12729	7.4
189.16386	22.9
190.51309	1.7
191.07059	2.2
191.14319	4.7
191.17947	3.4
193.12317	8.2
195.06593	1.9
195.13849	1.7
195.17435	5.1
197.13275	5.0
199.14838	6.8
201.12791	3.0
201.16364	9.2
203.07019	2.1
203.14340	4.2
203.17960	17.7
205.15921	9.2
205.19470	2.9
207.06555	6.0
207.17419	11.3
211.13269	5.9
211.14964	2.5
213.12796	3.8
213.16402	3.8
215.14359	8.0
215.17973	6.8
217.15860	2.2
217.19444	5.3
219.13885	3.4
219.17270	2.3
223.13184	4.1
223.15105	2.2
225.16403	4.8
227.17946	3.1
229.15877	2.0
229.19513	3.1
233.15276	3.7
235.13290	6.1
241.15991	2.1
241.19484	2.7
261.14835	4.1
269.19144	2.0
281.22720	2.4
285.07605	2.1
285.11176	2.6
287.05521	4.3
297.06085	4.8
317.06696	2.0
325.25250	2.2
327.12112	2.3
335.27292	2.5
353.28284	4.6
357.24289	4.3
361.11615	1.8
375.30453	6.3
381.27383	8.6
381.31967	4.1
393.31503	23.8
394.32080	2.2
399.29123	9.8
409.30975	5.7
411.32800	12.6
421.30954	21.2
422.31094	2.3
427.32169	8.9
439.32086	68.8
440.32355	6.6
457.33127	32.6
458.33484	4.8
467.08130	3.6
475.34238	81.3
476.34561	7.1
594.22705	2.5
654.26062	21.0
655.32532	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	655.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.0
53.03941	4.1
55.01869	1.9
55.05508	4.2
57.03438	2.6
59.05010	0.7
61.02930	0.9
65.03932	1.3
67.05502	5.4
69.03429	10.7
69.07069	2.2
71.05000	2.0
73.02897	0.7
75.04483	1.7
75.64358	0.6
77.03925	0.6
78.04712	0.7
79.05493	18.8
81.03416	13.9
81.03897	0.8
81.07052	9.1
82.07334	0.5
83.04983	3.6
83.08597	1.4
85.02908	9.3
85.06563	0.8
86.09716	1.5
87.04458	0.9
91.05477	22.8
92.05814	1.4
93.03424	0.7
93.07041	61.0
94.07381	2.2
95.04967	5.5
95.08602	7.2
97.02886	6.7
97.06530	1.9
97.10194	0.7
99.04433	2.9
103.05464	5.1
105.04504	1.9
105.07030	28.7
106.07806	1.6
107.04964	3.2
107.08590	10.1
108.08904	0.6
109.02872	6.7
109.06506	2.9
109.10179	3.1
111.04439	2.1
111.08089	3.3
113.05932	0.5
113.56328	0.6
115.05437	2.1
116.06233	1.8
117.06988	3.3
119.04880	1.2
119.08582	19.8
120.08927	1.1
121.06525	5.7
121.10142	100.0
122.10473	3.9
123.04443	1.4
123.08086	4.4
123.11693	3.0
125.05982	1.2
125.09642	1.0
127.03912	3.5
128.06177	1.1
129.05528	0.8
129.06998	2.9
131.04933	2.1
131.08560	9.2
133.06482	1.8
133.07594	2.2
133.10139	2.5
135.04393	1.0
135.08104	1.2
135.11703	2.0
137.05960	8.2
138.06363	0.6
139.04036	0.5
139.11171	3.3
141.07004	0.5
143.04912	1.0
143.08549	1.0
145.04939	1.8
145.06456	1.7
145.10123	2.6
147.04417	2.8
147.08017	1.5
147.11676	2.4
149.05962	2.2
149.09610	85.6
149.13225	1.8
150.09923	2.9
151.03925	5.5
151.05009	1.1
151.07526	3.4
151.11166	0.7
153.05482	0.5
157.06490	0.9
157.10077	1.0
159.08092	1.1
159.11716	1.4
161.05952	4.9
161.13271	1.7
163.03922	1.1
163.07509	2.1
163.11169	1.2
163.14856	0.8
164.08246	0.6
165.05563	0.6
165.09129	1.4
167.07036	0.9
167.10666	12.5
171.08055	1.0
171.11746	0.9
173.06039	1.0
173.09547	0.7
173.13252	1.2
175.03812	0.6
175.07581	3.0
175.11176	0.5
175.14812	1.3
177.05484	0.7
177.09079	0.8
177.16290	0.7
179.07007	0.7
179.08508	0.6
181.06493	0.7
183.11653	0.6
185.13150	1.1
187.07524	1.2
187.14851	1.1
188.08223	0.7
189.09039	1.0
189.16348	1.0
191.10606	0.7
191.17917	1.6
193.08636	0.5
193.12170	0.7
197.13280	0.7
201.05365	1.0
201.09094	0.8
203.10663	1.0
203.14316	0.8
203.17953	0.5
211.07584	0.6
211.13278	1.4
213.09044	0.6
219.10287	0.5
225.08990	0.8
227.12643	0.8
229.04996	0.8
235.07455	0.9
249.09091	0.7
251.06889	0.6
267.10043	0.8
267.15942	0.6
283.09460	0.9
285.03998	2.5
285.11081	2.0
287.01862	1.4
291.09900	0.6
293.10861	0.7
293.13843	11.5
294.14114	1.2
299.01797	1.1
299.09042	2.2
299.12708	3.0
307.09387	0.6
309.11099	0.7
311.15079	5.8
313.03372	6.9
314.03854	2.2
315.01288	4.1
325.10614	1.2
325.14301	0.7
327.11987	0.8
329.02719	0.7
330.03610	7.1
339.12033	0.6
345.06036	35.0
346.06320	2.7
365.13556	0.8
383.14706	1.0
393.31241	0.9
411.32349	0.6
439.31735	1.6
440.32370	1.4
457.32147	0.7
461.28735	0.7
619.21832	0.6
623.23492	0.6
637.22845	1.7
655.24353	1.9
655.34137	5.4
656.25568	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.6
55.01856	6.3
55.05505	3.6
56.05799	1.8
62.11150	2.3
67.05503	11.1
69.03425	2.4
69.07054	4.3
71.04985	2.9
77.03928	2.6
79.05482	14.5
81.03411	6.8
81.07043	15.7
85.02924	2.3
91.05475	30.1
93.03375	2.2
93.07037	13.8
94.04230	2.9
95.04936	10.4
95.08602	12.5
97.02879	2.7
103.05470	38.5
104.06247	7.2
105.07021	21.6
106.07354	2.6
107.04952	37.5
107.08578	9.2
109.02871	4.1
109.06489	4.7
109.10146	4.2
111.04410	4.4
115.05460	11.3
117.07004	9.7
119.04974	10.9
119.08568	7.9
119.98394	2.5
121.06496	6.3
121.10136	8.8
122.03626	5.8
123.04431	22.5
123.11733	3.3
125.05984	4.4
128.06216	3.8
129.06995	11.6
131.04918	32.9
131.08568	9.5
132.05707	3.1
133.06487	11.1
133.10126	8.4
134.03619	2.5
135.04401	5.7
135.08015	7.0
135.11713	3.3
136.05122	2.7
137.05969	81.4
137.13226	3.2
138.06314	2.5
141.06947	5.6
143.04877	3.7
143.08519	2.2
144.05685	2.9
144.66428	2.2
145.06499	24.6
145.10124	4.2
147.04401	16.1
147.08055	2.6
147.11703	4.8
148.05142	7.8
149.05975	34.0
149.13289	2.4
151.03925	18.3
151.07532	29.3
152.07864	3.1
153.05482	8.2
157.05290	2.1
157.06459	10.3
157.10138	2.0
159.08057	23.1
159.11720	5.6
161.05975	19.2
161.13185	4.0
163.03897	7.3
163.07539	92.5
164.08327	100.0
165.05440	6.1
165.08995	8.1
167.07066	9.7
169.06444	2.7
171.08084	5.5
173.06004	2.1
175.03880	2.5
175.07561	10.0
175.11121	2.7
177.05487	5.4
177.09103	8.0
177.16460	4.0
178.07774	3.0
179.07079	4.0
179.08537	2.5
181.10130	2.8
185.05960	7.4
187.07553	14.2
188.08325	2.8
188.53801	2.3
189.09071	6.9
191.07004	8.0
195.08110	3.1
201.18452	2.1
202.07805	2.3
203.06952	5.2
203.08710	4.8
203.10663	7.4
205.08583	66.3
205.10411	5.0
205.12148	3.0
207.08139	2.8
209.09557	3.1
211.07478	4.9
213.09023	3.6
221.05992	2.4
221.09538	2.5
223.07370	2.9
225.09125	6.0
226.10133	2.6
227.06894	3.2
231.07985	5.4
233.09628	7.7
235.07570	5.5
237.09151	2.9
239.07076	3.3
239.10532	3.2
248.08360	4.8
249.09099	8.9
250.09741	2.2
251.06972	4.1
251.10629	7.0
253.08562	6.6
254.09335	6.0
259.07465	2.9
261.09113	10.6
263.07071	3.6
263.10663	7.9
264.07770	4.3
265.08667	3.5
267.15829	2.8
269.11780	3.7
271.09546	3.5
276.07822	3.2
277.08563	8.3
278.09406	3.9
279.06708	3.9
279.10110	10.6
280.07150	3.3
281.08273	3.6
281.11469	4.2
282.08801	4.2
283.09705	2.7
285.11240	6.8
287.10767	2.9
291.10123	17.9
292.10559	2.4
293.08096	2.7
293.11673	6.0
294.08862	4.8
294.12357	2.1
296.10464	3.3
297.11099	3.0
299.09366	4.0
299.12607	4.5
305.11890	2.5
307.09616	3.0
309.11200	29.3
310.11670	4.5
311.12766	34.3
312.13016	3.8
313.13928	2.8
323.12701	6.6
325.10645	2.4
327.12253	28.4
328.12674	2.5
329.13809	54.0
330.14087	3.7
339.80887	2.4
341.13913	5.0
353.13675	3.2
365.14023	4.3
384.14584	2.7
393.31570	2.6
439.31827	5.0
457.33066	4.0
461.28793	3.7
655.25525	2.9
655.36755	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	655.272
Annotation	Unknow
Peak:m/z	Relative Intensity
57.53027	1.0
63.20065	0.8
69.46253	1.0
69.64957	4.1
86.09700	1.7
91.05499	1.5
121.29733	0.8
125.80215	0.8
137.05966	4.8
167.07080	1.1
177.80168	0.9
189.05231	17.5
189.06856	1.2
199.07591	1.5
202.06020	2.1
203.06868	1.4
205.04768	3.8
211.14661	1.0
216.07590	4.6
217.08330	1.9
219.06311	1.2
232.07108	2.0
233.07803	12.7
234.08603	8.4
247.09427	8.6
279.21249	0.8
348.68500	0.8
349.55786	0.8
413.15778	3.9
427.17099	5.7
428.18076	1.2
429.14767	1.6
443.16867	5.0
444.17590	4.9
655.27161	100.0
656.27484	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.3
55.01867	1.7
55.05506	3.2
57.03429	1.5
59.04994	0.8
65.03946	1.5
67.05507	6.6
69.03421	5.9
69.07061	3.1
71.04985	1.4
72.51026	0.8
79.05489	6.8
81.03414	9.5
81.07047	8.5
83.04967	2.5
83.08626	2.3
85.02911	7.7
85.06538	1.5
86.09692	0.9
91.05474	7.8
93.07042	7.3
94.07393	1.1
95.04971	5.0
95.08601	7.4
97.02885	3.3
97.06519	2.5
97.10177	2.6
99.04458	2.2
103.05451	4.2
105.07047	10.5
107.04942	3.5
107.08588	7.0
108.08875	0.8
109.02899	4.2
109.06483	2.0
109.10166	4.6
111.04433	2.5
111.08076	1.9
113.06101	0.8
115.03936	0.8
115.05431	1.7
117.03355	1.5
117.05519	0.8
117.06964	2.1
119.04889	1.9
119.08588	6.3
121.02846	1.8
121.06479	2.9
121.10110	6.9
123.04419	2.1
123.08047	1.5
123.11703	2.4
125.06010	0.8
127.03934	3.3
128.06223	1.3
128.42763	0.8
129.06967	2.5
131.04907	1.5
131.08572	3.4
133.06467	1.8
133.10124	5.9
135.04375	1.8
135.07991	2.0
135.11664	3.1
137.05960	8.2
137.09572	1.2
139.03908	1.4
139.11150	1.2
143.08492	2.1
145.02904	3.9
145.04993	2.6
145.06468	1.9
145.10170	3.9
146.05760	1.0
147.04420	2.9
147.08018	1.4
147.11674	4.1
149.05971	3.2
149.09627	2.2
149.13272	1.6
151.03908	8.9
151.07523	4.8
151.11224	1.1
153.01810	2.4
153.05469	0.9
155.08522	0.9
157.10101	1.7
159.08051	1.1
159.11697	2.1
161.05971	4.0
161.09586	2.9
161.13239	1.8
162.05357	0.8
163.03905	3.5
163.06061	1.3
163.07520	3.5
163.11179	2.8
163.14919	1.1
164.08255	1.5
165.09109	3.0
165.12735	1.2
167.03397	0.9
167.07034	3.3
173.04639	1.2
173.06012	0.9
173.09610	1.8
173.13260	2.3
175.07495	1.0
175.11203	1.6
175.14767	1.2
177.05466	4.9
177.12708	0.9
177.16350	0.9
178.05827	1.1
179.07141	1.3
181.04985	0.9
181.08725	1.0
181.12157	0.9
182.02071	0.9
187.07600	0.9
187.11238	1.0
187.14847	1.3
188.06837	2.7
189.05482	0.8
189.09128	2.9
189.16389	2.2
191.07054	1.4
191.10681	4.7
193.12189	1.9
197.13248	0.9
198.05229	0.8
205.15849	1.2
207.06425	1.4
207.10178	1.3
209.11655	1.2
211.13345	1.4
213.03874	0.9
227.05495	3.2
229.14301	1.1
235.09753	1.0
265.14481	0.9
267.10019	1.3
267.15961	1.5
283.09787	0.8
285.11282	1.9
293.12518	2.5
299.08844	0.8
301.06754	1.6
309.11273	1.1
311.13632	11.1
312.13718	1.0
313.10703	2.7
313.14117	1.4
314.07709	1.2
314.14536	1.6
315.07944	1.5
315.11255	1.7
316.08578	1.5
316.11819	3.0
317.06277	1.2
317.09296	1.5
317.12497	8.8
318.13452	4.0
319.10382	6.2
319.13663	0.9
320.11127	2.3
329.06641	1.4
329.10208	2.4
330.10565	1.4
331.10898	0.9
333.12112	1.0
359.09970	1.5
360.10843	4.7
361.11551	69.0
362.12216	9.7
363.12866	1.0
393.14197	10.5
395.29474	1.2
413.30481	1.2
440.33118	1.0
442.16968	1.2
451.22620	1.1
456.18744	3.1
483.17603	8.1
484.17862	1.1
491.11343	1.3
493.21875	1.4
501.18506	5.1
502.19296	5.5
503.19537	1.0
515.19885	1.2
532.20215	1.0
579.25769	13.0
580.26556	1.1
623.24719	100.0
624.25037	13.4
655.26208	28.0
655.39771	3.5
656.26843	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	655.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.9
53.03925	1.1
55.01858	1.7
55.05489	1.8
56.93784	0.5
57.03424	0.6
57.07055	1.9
59.04980	1.6
65.03939	7.1
66.04696	0.6
67.05509	4.9
68.83066	0.5
69.07062	4.5
69.34541	3.2
71.04991	0.9
71.08624	0.8
79.05501	4.5
81.03405	1.0
81.07066	4.3
83.04967	0.8
83.08600	2.1
85.06558	0.6
91.05482	13.7
93.03422	4.3
93.07049	3.5
93.07513	0.6
94.04182	3.1
95.04964	3.8
95.08622	3.5
97.06519	1.1
97.10163	1.2
103.05470	8.0
105.07034	10.2
107.04967	4.6
107.08586	2.9
108.02074	0.8
109.02877	0.6
109.06516	1.9
109.10141	2.7
110.03621	0.9
111.04436	6.8
115.05434	3.7
115.23863	0.6
117.07021	8.9
119.04915	4.8
119.08603	4.1
121.06520	6.9
121.10141	2.2
122.03648	8.4
123.04422	0.7
123.08067	1.1
123.11706	0.9
125.05989	5.8
125.09624	1.1
128.06224	5.7
129.07005	2.2
131.04939	6.7
131.08548	3.6
132.05724	0.9
133.06473	5.6
133.10130	2.3
135.04405	1.4
135.08037	2.5
135.11653	0.8
136.05243	0.9
137.05977	100.0
138.06358	3.3
139.11162	0.9
141.05440	1.0
141.06995	1.5
142.07759	1.0
143.08568	14.4
144.05688	1.5
145.06483	20.0
145.10112	3.0
146.07018	0.7
147.04411	2.5
147.08080	4.4
147.11732	1.5
148.05185	3.5
149.05977	3.9
149.09641	2.3
151.03909	27.5
151.04980	2.3
151.07539	19.3
152.04256	0.8
152.07954	1.1
153.05473	10.1
153.06931	0.9
157.06519	2.8
157.10130	1.1
158.07274	1.0
159.08044	5.9
159.11710	1.1
160.05205	0.9
160.08778	2.2
161.05960	4.4
161.09644	7.3
162.06766	11.4
163.03911	3.9
163.07555	7.4
163.11172	0.9
164.08257	0.9
165.05516	1.6
165.06964	1.0
165.09120	9.1
165.10422	1.1
167.06982	1.3
169.06511	0.9
169.10103	0.8
171.08055	14.6
171.09439	1.2
172.08833	3.2
173.06006	2.8
173.09604	2.8
174.06813	1.0
175.07545	7.2
175.11192	3.2
175.14735	0.7
176.08075	0.7
177.05478	2.1
177.09099	12.5
179.07040	0.7
179.08554	0.8
179.10573	0.6
181.08638	1.3
185.09644	1.4
186.10352	1.0
187.07564	2.1
187.11211	1.3
188.08319	15.6
188.09885	1.0
189.09088	4.0
189.11127	1.1
189.12691	4.9
190.09915	1.0
191.07018	1.1
191.10741	1.4
193.12355	1.0
197.09637	1.1
199.11205	0.7
201.09117	1.4
201.12660	0.9
203.07040	5.9
203.10674	39.0
204.11014	1.0
205.12233	2.0
207.08041	0.7
209.09802	0.7
211.07581	1.1
211.09557	1.1
212.12010	0.8
213.09204	0.7
217.08658	0.7
217.12312	0.8
219.10097	1.1
221.11720	51.5
222.12106	2.6
223.07671	0.9
225.09132	1.0
227.06978	0.8
227.10793	1.0
227.14349	2.3
233.09636	0.9
235.07385	1.3
237.09146	0.7
238.06049	0.7
239.06940	1.0
239.10719	1.0
241.08528	1.1
245.15395	2.9
249.09258	1.3
251.07152	1.6
251.10712	0.9
253.08524	1.1
254.09341	0.7
255.06604	1.0
256.07367	1.1
257.08063	0.6
263.10626	0.6
264.07825	0.9
267.06467	1.7
267.10181	1.8
268.07220	0.8
269.08063	0.8
277.08780	1.4
277.21613	0.7
278.09506	0.9
279.06604	0.8
279.10028	0.8
279.23358	0.8
280.10959	0.8
281.08167	2.4
281.11771	1.9
282.08777	1.1
283.09625	2.7
283.13281	1.1
285.07501	0.7
285.11169	1.1
286.08286	0.9
291.10190	1.0
291.19498	0.7
293.08591	0.8
293.11752	2.0
294.08926	2.3
294.12061	0.7
295.09714	1.7
295.13040	1.1
296.10443	0.8
297.07947	0.8
297.11331	1.6
299.09192	3.2
299.12650	1.5
305.11646	1.0
307.09821	2.9
307.12964	0.7
309.11258	2.3
310.11893	0.8
311.09125	3.3
311.12808	4.0
312.13477	1.7
313.14316	1.1
313.27405	3.1
321.11313	1.5
323.12784	2.5
325.10840	1.0
325.14377	1.0
327.12277	13.1
331.28439	1.0
336.13602	0.9
337.14362	2.2
337.18036	1.1
339.12265	2.0
349.14407	0.8
351.15845	1.7
351.19662	2.8
369.20596	2.3
379.19199	1.2
389.17664	0.9
392.12491	0.7
393.17169	0.8
403.12097	0.8
405.13034	0.9
407.18546	4.0
407.23236	0.7
417.13538	0.7
418.14011	2.6
429.23004	1.0
431.14700	3.5
432.15759	1.5
435.18637	0.8
445.20621	1.2
445.29385	0.8
447.17822	4.0
461.19739	1.0
463.17020	5.8
464.18005	0.8
473.00821	0.7
473.19565	0.9
475.20923	3.9
481.18497	2.8
491.20834	1.9
491.31436	2.1
503.20807	0.7
513.23096	2.1
517.22095	10.3
518.22394	0.9
531.23792	5.5
532.24493	0.8
637.27496	3.6
638.28223	0.8
654.43378	1.1
655.36115	30.8
655.46649	1.5
656.36139	3.9
679.68805	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60743	0.5
55.01868	0.9
55.69526	0.5
57.03426	0.5
59.04993	0.9
60.81350	0.5
67.05492	1.0
68.99782	1.6
69.03433	0.9
69.12823	4.9
79.05473	1.4
81.07043	1.2
83.01332	1.1
85.06562	0.7
85.98448	0.5
91.05469	2.3
93.07042	2.4
93.91877	0.6
95.04971	1.4
95.08598	1.3
97.06583	0.5
105.07018	1.6
105.63381	0.6
107.08591	1.2
109.06516	2.9
109.10177	1.1
111.08077	1.2
113.06005	5.4
115.05453	0.7
116.02091	0.6
117.07011	2.1
118.18434	0.5
118.96124	0.6
119.08555	1.0
121.06503	10.3
121.10136	1.7
123.04385	2.6
131.08543	1.7
133.06485	0.7
135.08047	6.4
136.08394	0.7
137.05930	1.1
137.09604	1.5
139.03917	1.4
139.11116	2.7
145.06450	3.9
148.05190	1.1
149.05980	7.2
149.09554	2.7
150.10315	0.8
151.07559	4.3
155.07056	0.7
159.08064	2.1
161.05956	3.0
162.06754	1.7
162.22783	0.5
163.07538	25.7
164.07898	1.5
165.09160	1.0
167.10675	1.0
173.06023	4.1
177.09116	4.7
178.06261	0.6
178.81236	0.5
179.07028	17.5
183.10135	3.3
187.07529	1.8
191.07030	64.6
191.14241	0.9
192.07352	3.3
193.08629	2.8
197.08090	35.8
198.08386	1.2
203.07011	0.8
205.06667	1.1
205.08603	18.9
206.08984	1.7
209.08089	100.0
210.08421	3.6
211.09619	4.8
223.09656	23.5
224.09984	1.6
237.14873	5.2
245.11746	2.7
251.12686	0.8
263.12726	1.1
272.00797	0.6
339.15891	0.6
366.14374	0.7
387.21677	1.0
415.21155	20.7
416.21381	2.2
419.16699	0.7
427.15543	0.7
427.21054	3.4
433.22134	5.9
445.22202	52.8
446.22580	6.6
513.92181	0.5
628.88129	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.4
67.05505	0.6
69.07051	0.5
69.54510	0.4
69.54920	0.6
71.74479	0.2
79.05489	0.5
81.07060	1.0
83.08611	0.3
91.05469	0.6
92.61694	0.2
93.07043	0.7
93.97141	0.2
95.08588	1.2
102.34876	0.2
105.04513	0.2
105.07028	0.6
105.13734	0.2
107.08593	0.5
109.10162	0.3
111.11657	0.2
117.07020	0.2
119.05020	0.2
119.08588	0.6
121.10126	0.5
123.08028	0.2
125.09626	0.2
130.31102	0.2
133.10130	0.3
135.11673	0.4
137.06021	0.3
145.06566	0.2
145.10101	0.2
149.09651	0.2
151.07684	0.2
159.11641	0.2
181.08609	0.3
187.14885	0.2
189.09152	0.4
197.03670	0.2
203.10822	0.2
203.68292	0.2
208.40540	0.2
251.12692	0.2
254.23854	0.2
278.21631	0.2
557.38873	0.3
611.36945	7.7
612.37274	1.4
637.37396	0.2
654.42529	0.6
655.35840	100.0
656.36310	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	655.36
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82987	0.2
52.98169	0.2
55.05492	0.3
56.40633	0.2
57.07056	0.6
62.05155	0.2
67.05501	0.4
69.07065	0.3
69.28661	2.2
71.08620	0.5
79.05505	0.3
81.07048	0.6
85.10172	0.3
90.93110	0.3
91.03940	0.3
95.08622	0.4
137.05948	0.3
208.94684	0.3
239.23767	0.8
313.27222	1.8
316.31906	0.2
342.20139	0.2
611.36908	1.0
655.35962	100.0
656.36322	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	655.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.6
67.05499	1.4
69.07073	0.8
69.27042	2.7
75.49336	0.3
77.58446	0.4
79.05493	0.8
81.07056	1.6
91.05450	0.6
93.07051	1.0
95.08643	1.7
97.06545	0.6
98.22574	0.7
105.07040	1.1
107.08617	1.0
109.10136	0.5
111.04433	0.4
117.07033	0.5
119.08557	0.6
121.10175	0.8
131.08524	0.4
133.06541	0.4
133.10114	0.5
135.11714	0.4
137.06038	0.6
145.10092	0.5
151.07567	0.6
163.04039	0.4
175.14793	0.4
187.03804	0.5
187.14900	0.3
210.10542	0.3
212.24156	0.3
213.85081	0.4
253.19585	0.4
491.31418	1.6
611.36652	0.8
655.35999	100.0
656.36377	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	655.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.1
55.01868	1.3
55.05511	7.4
55.70666	0.7
57.03434	6.1
57.07076	48.3
60.16205	0.8
61.02929	8.5
65.03925	1.9
67.05171	1.0
67.05507	19.8
69.03410	1.8
69.07072	11.4
69.18929	7.6
71.04998	1.6
71.08633	34.8
73.02928	4.8
75.04482	3.1
76.08536	0.9
79.05497	5.3
81.03426	2.1
81.07059	21.9
83.04969	1.6
83.08622	15.3
85.02900	10.4
85.06523	1.3
85.10181	19.5
85.44227	0.9
89.06049	1.0
89.18269	0.8
91.03958	11.7
91.05479	5.7
93.07053	6.0
93.12234	1.0
95.04988	1.5
95.08605	32.8
96.08925	1.4
97.02903	6.7
97.06555	1.2
97.10174	7.7
98.81462	0.9
99.04424	1.7
99.08069	1.0
99.11726	1.6
103.05450	2.0
103.07613	1.1
105.07014	4.9
107.04926	1.1
107.08601	2.8
108.46130	0.8
109.02887	1.0
109.06534	1.3
109.10162	15.4
111.11703	1.3
117.07019	2.5
119.04928	1.8
119.08576	2.7
121.06560	1.4
121.10161	2.7
122.03646	1.1
123.11707	6.3
125.09632	1.7
127.03933	2.5
128.06259	1.4
131.04980	2.0
131.08562	2.9
133.06516	1.3
133.10146	2.0
135.04521	0.9
135.08040	1.2
135.11688	1.6
137.05968	17.9
137.13242	2.1
143.08563	2.4
145.04886	4.7
145.06442	2.5
145.10135	1.1
147.04419	1.7
147.08060	1.3
147.11679	1.4
149.05972	1.5
151.03946	5.8
151.07529	3.8
151.14894	1.6
153.05482	1.5
157.10155	1.2
161.09612	2.2
162.06755	1.4
163.06021	5.0
163.07408	1.5
165.09093	1.8
171.08026	1.9
173.09691	0.9
175.07521	2.1
177.09108	2.0
188.08273	1.9
189.09076	1.3
189.11192	0.9
203.10670	5.9
205.12248	1.2
221.11642	5.9
221.22621	1.5
235.07484	1.0
239.23697	31.5
240.24007	2.5
257.24835	4.3
291.19385	0.9
293.21326	1.0
311.12769	1.0
313.27359	100.0
314.27774	7.5
331.28360	12.6
332.28476	1.1
368.38165	0.9
452.83853	0.8
463.17224	1.1
475.32681	2.6
517.21716	0.9
535.82159	0.9
646.60138	0.9
655.35437	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	656.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.9
55.01860	3.4
55.05509	24.6
57.03433	2.2
59.04977	1.0
60.39743	0.9
61.02919	2.6
65.03951	2.2
67.05167	1.4
67.05502	21.3
68.05830	1.2
69.03421	3.2
69.07071	6.5
71.04969	1.2
79.05489	19.4
80.05816	0.9
81.03427	2.4
81.07056	19.8
82.98451	1.0
83.04977	2.7
83.08616	12.4
85.02913	2.6
91.05473	20.4
92.05795	1.1
93.07040	12.0
95.04967	3.1
95.08617	6.8
97.02884	1.4
97.06484	1.5
97.10165	23.7
98.23423	1.7
99.04436	0.9
102.17135	1.1
103.05473	11.2
105.07030	16.3
107.04953	3.5
107.08590	12.6
107.72712	0.9
108.08894	1.0
108.37576	0.8
109.06503	1.8
109.10122	6.3
111.08081	1.7
115.05480	6.1
117.07021	32.2
118.07365	1.3
119.04939	1.4
119.08566	8.5
121.06516	2.5
121.10153	3.1
123.08080	1.9
125.09629	23.2
126.09995	1.1
128.06187	3.3
129.05496	1.0
129.06992	13.7
131.04945	2.6
131.08568	18.9
133.06471	5.7
133.10117	4.0
135.08063	5.9
135.11671	1.2
137.05951	3.6
141.06984	5.3
142.07733	1.1
143.08572	7.3
143.10582	1.1
145.06456	6.9
145.10094	7.7
147.04430	1.5
147.08052	3.0
147.11597	1.0
149.09613	3.0
151.03911	2.5
151.07524	1.7
153.07043	1.5
153.09102	2.4
154.07811	1.2
155.08549	8.4
157.06474	3.1
157.10117	2.8
159.08046	3.5
159.11688	2.1
161.06021	1.7
161.09555	0.9
163.07521	1.4
165.09068	1.0
167.08551	2.9
169.10088	5.9
171.08041	2.8
171.10181	2.0
171.11668	3.6
173.13252	2.4
179.08554	2.1
181.10036	2.9
183.08086	2.2
183.11667	1.5
185.13242	2.0
187.11240	1.4
187.14810	7.4
189.11205	12.5
193.10104	1.8
195.11656	3.2
197.13228	11.5
199.11142	1.5
209.13290	2.1
213.12782	3.5
213.57825	1.0
215.14307	38.7
216.14542	2.8
219.11707	1.5
223.14998	1.0
227.12724	19.0
227.14732	1.5
231.13673	1.4
233.15286	2.2
241.12209	1.8
245.13855	2.8
255.13847	1.4
257.15417	1.1
269.15375	1.5
271.16925	2.7
289.18045	1.5
331.20688	0.8
339.23361	2.7
349.21533	6.3
367.22705	10.9
368.23145	1.6
385.23700	10.1
386.24417	1.2
403.24902	4.4
423.25122	1.4
441.26346	52.1
442.26846	6.6
451.79129	1.0
459.27402	100.0
459.33899	3.3
460.27701	10.5
477.28564	11.9
478.28897	2.0
657.34418	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.4365
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67702	0.9
53.03943	1.4
55.01871	1.4
55.05500	7.7
56.53403	1.0
57.03432	2.5
57.07074	3.1
58.01668	1.0
61.02927	1.6
65.03944	2.1
67.05493	12.2
69.03419	6.6
69.07066	15.0
69.12478	9.6
69.74370	1.0
69.96457	0.8
72.54938	1.0
73.02882	1.6
77.03913	1.5
79.05479	11.7
79.64314	1.1
80.05811	1.0
81.03413	3.7
81.07059	37.3
83.05005	1.3
83.08615	7.0
85.02413	1.2
85.02904	19.4
85.06543	1.5
91.05469	17.9
91.05987	1.6
93.07043	27.9
94.07411	1.5
95.04951	1.8
95.08605	46.7
96.08929	1.1
97.02891	6.6
97.06540	1.4
97.10157	2.6
99.04459	2.5
103.05468	1.6
105.07026	40.4
106.07362	1.7
107.04942	2.2
107.08594	45.7
109.02873	3.2
109.06492	2.6
109.10154	29.5
111.08052	2.9
117.07013	8.1
119.04920	3.2
119.07753	2.3
119.08579	41.8
120.08880	1.5
121.09267	2.1
121.10141	34.7
122.10441	1.2
123.04417	1.5
123.08067	1.3
123.11693	14.8
127.03913	3.4
128.06230	1.5
129.06966	3.7
131.08557	28.9
133.10127	34.2
135.08029	1.1
135.11690	35.9
136.12025	1.9
137.02303	1.6
137.05991	4.7
137.09665	2.1
137.13232	4.9
143.08545	7.4
145.04982	5.4
145.06392	1.0
145.10109	27.3
146.10573	1.7
147.04398	4.0
147.11690	25.2
149.05966	1.6
149.13263	17.1
151.03902	4.1
151.07532	1.7
151.11214	1.5
151.14787	1.7
153.01814	1.9
155.08542	2.3
157.10139	8.9
159.11688	38.1
160.12036	2.3
161.05998	4.1
161.13271	21.3
162.07614	2.3
163.03889	1.9
163.14818	24.2
164.15225	1.7
165.09137	1.5
165.12726	1.6
167.07072	2.7
169.10117	2.6
171.11679	6.2
173.09550	1.3
173.11823	2.0
173.13243	17.1
175.03888	7.2
175.07547	2.2
175.14824	18.9
177.05528	1.7
177.09145	1.4
177.16391	21.8
179.14311	4.1
180.08667	11.4
183.11700	3.8
185.13254	12.0
187.14819	100.0
188.15170	5.5
189.16376	70.1
190.16748	4.2
191.10658	2.6
191.14233	1.5
191.17943	35.7
192.18202	1.6
193.12219	1.0
197.13263	3.9
199.14844	9.1
201.16368	34.0
202.16751	2.5
203.07045	2.1
203.10689	1.6
203.17918	12.5
205.04704	4.5
205.12276	1.2
205.15889	5.8
205.19650	2.2
207.06508	12.4
207.17442	35.5
208.06894	2.3
208.17848	1.8
211.14827	5.1
213.16379	9.1
215.17950	57.4
216.18317	2.1
217.19489	7.0
219.13860	1.4
219.17360	1.3
221.15292	1.9
221.18906	1.2
225.16347	8.2
227.17940	8.9
229.19501	10.3
230.19841	1.4
231.13768	2.5
231.21028	1.4
233.15358	20.3
233.19014	3.0
234.15721	1.2
235.16823	1.9
239.18007	7.0
241.19504	10.3
243.21136	3.8
247.16896	5.0
253.19588	6.2
255.21088	4.8
259.16992	3.5
261.18506	16.3
267.21051	3.3
271.16888	13.3
273.18582	2.0
285.11496	1.3
285.18454	7.3
287.20020	3.6
293.22684	1.4
299.19974	3.0
301.21603	2.4
313.21695	1.9
321.25830	2.8
327.12183	2.1
349.28607	1.4
377.27228	2.0
377.32025	38.0
378.32376	3.8
383.33243	1.4
395.25500	1.4
395.33072	19.5
396.33246	1.2
397.34589	1.2
405.31470	1.7
413.26666	2.0
413.34241	5.4
423.32562	78.3
424.32922	11.3
431.35437	1.7
441.33725	14.8
442.33850	2.2
459.34720	11.8
460.35010	1.7
630.13660	1.2
656.23694	2.5
657.25018	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	656.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04893	0.8
53.03944	1.6
55.01872	1.5
55.05505	5.4
57.03439	1.9
57.07076	2.6
60.04520	0.9
61.02929	3.6
67.05508	10.9
69.03429	8.3
69.07072	9.9
69.19532	7.4
71.04997	1.6
79.05489	7.7
80.05804	0.9
80.21925	1.0
81.03431	6.3
81.07057	34.5
83.04976	1.4
83.08636	6.1
85.02907	25.8
85.06547	1.1
87.04491	1.1
91.03965	1.0
91.05474	9.0
93.06467	1.1
93.07043	19.1
94.07402	1.1
95.08608	39.5
96.08957	1.3
97.02890	8.9
97.06541	1.0
97.10171	2.5
99.04486	1.8
103.05457	1.1
105.07029	26.7
105.07733	1.6
106.07390	1.4
107.04992	1.4
107.08595	32.0
108.08928	1.2
109.02885	2.8
109.06496	2.1
109.10162	21.1
111.08103	1.9
116.66237	0.9
117.07034	2.7
119.08575	28.4
120.08919	0.8
121.06526	1.9
121.10142	25.7
122.10442	1.4
123.04408	0.9
123.08115	1.5
123.11710	7.6
125.09632	1.0
127.03907	6.0
129.07054	1.1
129.95422	1.3
131.08575	6.3
133.06529	1.7
133.10129	34.7
134.10486	2.0
135.08084	2.7
135.11694	20.7
135.12659	1.6
136.12080	1.3
137.06003	5.4
137.09607	1.9
137.13307	2.3
139.11154	1.2
143.08641	1.5
144.06628	1.0
144.09332	0.9
144.40927	0.9
145.04990	5.7
145.06465	0.8
145.10126	11.9
147.04417	1.2
147.11697	20.4
148.12131	1.4
149.06001	1.6
149.09615	1.9
149.13261	19.5
151.03963	3.2
151.07556	2.4
151.11189	1.5
151.14822	1.7
153.01811	5.6
153.09085	1.2
157.10168	2.8
159.11691	12.4
160.12122	1.4
161.06007	1.1
161.09589	1.7
161.13268	15.3
162.07579	4.4
163.06061	1.2
163.07587	1.4
163.11159	5.2
163.14818	16.2
167.07045	1.3
167.10681	1.2
171.11711	2.5
173.09743	1.2
173.13268	10.4
174.13698	1.2
175.07484	1.1
175.11330	1.6
175.14821	32.7
176.15178	2.5
177.12862	2.0
177.16380	22.1
178.16711	1.4
179.06970	1.1
179.10789	1.0
179.14351	3.1
180.08679	13.9
181.05083	0.9
185.13297	2.8
187.14816	12.2
188.15231	1.2
189.09129	1.6
189.16385	100.0
190.16722	6.6
191.17920	8.5
193.08626	1.2
193.12320	1.3
193.15805	1.2
199.14883	4.3
201.16388	7.6
203.14403	1.3
203.17963	6.4
205.12553	4.2
205.15880	47.8
206.16283	2.6
207.17448	21.5
213.16496	2.2
215.17978	3.8
217.15973	1.9
217.19547	3.6
219.13870	1.3
219.17441	2.9
221.15305	2.2
223.16966	2.8
227.17883	1.6
229.19617	1.9
231.17546	2.1
233.15454	1.7
233.19048	1.1
235.16927	15.7
236.17143	1.0
243.21034	1.0
245.19055	2.1
249.18567	1.7
255.21037	0.9
257.22635	1.1
263.16470	2.4
321.25610	0.9
325.10336	1.3
333.51846	1.0
351.14731	1.2
367.33505	1.6
377.32162	8.3
378.32315	1.1
395.33084	78.4
396.33392	12.5
397.30698	1.6
411.32437	1.2
413.34076	15.8
414.34332	1.7
423.32510	15.8
424.32986	2.9
429.33530	2.1
441.33643	20.4
442.33899	2.3
458.34372	1.0
459.34753	38.0
460.35028	7.4
477.35141	1.1
494.38306	5.1
550.80524	1.0
656.32935	1.4
657.21631	2.0
657.37299	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	657.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.4
71.15673	0.6
72.39548	0.4
81.03417	0.5
91.05505	0.8
95.04961	0.4
105.07043	0.6
107.04955	2.0
109.06567	0.4
115.05461	0.6
119.05014	0.5
121.02914	0.5
121.06550	0.4
123.04449	0.7
125.05990	0.5
135.04411	1.3
137.05986	3.5
147.04512	0.5
149.06004	0.7
151.03934	3.4
151.07515	0.8
153.01877	0.8
161.06015	1.2
161.09683	0.4
163.07594	1.6
165.05557	0.4
167.07036	1.9
169.04990	0.5
176.04530	0.7
177.05484	0.8
181.05074	0.7
181.08688	0.4
189.05222	9.5
189.06866	0.7
189.08923	0.8
195.10130	5.3
201.05388	0.5
202.06042	1.3
203.03105	0.5
205.04723	20.6
206.04956	0.9
212.99672	0.4
216.07552	2.2
218.05470	4.4
219.06323	1.6
232.07083	4.1
233.07913	1.6
234.08658	3.1
234.10788	0.5
247.09367	3.2
249.07332	4.3
250.08054	2.5
263.08911	6.1
265.08640	0.4
297.11627	0.6
325.10654	0.6
345.06021	0.5
399.14169	1.5
413.15768	4.6
414.16205	0.6
415.13644	4.5
427.13681	0.5
429.15070	6.6
430.15598	0.5
431.15482	0.4
445.14954	1.7
459.16248	0.8
460.16965	4.0
461.17795	0.9
495.25070	0.4
543.59607	0.4
627.23999	0.8
657.25116	100.0
658.25488	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	657.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51220	0.4
58.09060	0.4
69.23392	2.8
79.05474	0.4
81.03413	0.8
85.02934	0.7
91.05481	1.2
91.95727	0.4
97.02931	0.5
98.22549	0.8
103.05486	0.6
107.04963	1.7
109.10228	0.4
110.73981	0.4
119.04993	0.4
121.02831	0.5
123.04452	0.5
131.05075	0.6
133.06538	0.4
135.04414	1.6
135.08063	0.7
137.05997	2.5
139.03900	0.5
146.76897	0.4
147.04471	0.4
149.06105	0.8
151.03891	3.3
151.07529	1.1
153.01871	0.6
161.06021	1.2
163.07573	1.6
167.07071	1.8
175.07590	0.7
176.04504	0.8
181.04924	0.6
181.08655	0.4
189.05237	10.2
189.09193	0.8
189.27898	0.4
195.10162	4.9
202.06071	1.0
205.04712	22.5
206.05095	0.8
216.07550	2.8
217.04787	0.6
218.05501	6.0
218.07268	0.5
219.06268	1.5
230.05534	0.5
232.07016	4.9
233.07916	2.3
234.08607	4.0
247.09468	3.3
249.07326	5.4
249.09355	0.4
250.08218	2.1
263.08914	7.0
297.11282	0.6
301.10385	0.4
321.11591	0.5
325.10498	0.6
397.13004	0.5
399.14059	1.8
413.15714	5.6
414.16068	0.5
414.94394	0.5
415.13599	5.8
429.15237	7.0
430.15848	0.6
434.24356	0.4
445.14792	1.6
458.23792	0.5
460.17004	3.8
461.17468	0.6
609.23090	0.9
657.25122	100.0
658.25482	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	657.3753
Annotation	Mauritine J
Peak:m/z	Relative Intensity
55.05509	0.6
57.07077	0.3
67.05521	0.7
69.07061	0.6
69.57266	1.8
70.06584	0.7
79.05491	0.6
81.07064	0.9
83.08636	0.5
88.07627	0.7
91.05486	0.9
93.07054	0.7
95.08604	1.1
98.22609	0.3
102.09206	0.4
105.07052	1.2
107.04983	0.8
107.08601	0.6
109.10149	0.5
115.05489	0.4
119.08588	0.7
119.64581	0.2
121.06510	0.5
121.10163	0.6
123.08102	0.4
133.06497	0.6
133.10146	0.4
135.08031	0.4
137.06013	0.4
139.20586	0.3
145.10100	0.3
147.11731	0.3
149.02373	1.1
149.05980	0.4
161.05954	0.4
167.07047	1.8
181.04935	0.4
181.08621	2.3
187.03700	1.0
193.04984	1.8
193.08591	2.8
195.10107	1.3
195.11795	0.3
221.11801	0.8
237.07814	0.3
256.26297	1.6
276.07031	0.3
341.06592	0.6
382.56339	0.3
385.09088	0.6
409.80630	0.4
429.11792	0.8
449.33868	0.8
493.32654	0.6
613.38544	11.0
614.39026	1.7
657.37561	100.0
658.37585	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3755
Annotation	Mauritine J
Peak:m/z	Relative Intensity
55.05508	1.3
67.05503	2.1
69.07067	1.6
71.04998	0.4
72.13218	0.3
79.05491	1.4
81.07055	3.3
83.08612	0.9
91.05495	1.2
93.07038	2.2
93.07959	0.3
95.04973	0.4
95.08596	3.6
97.06534	0.4
97.10166	0.7
98.22511	0.8
105.07040	1.0
107.08572	2.1
109.06538	0.3
109.10163	1.8
111.08060	0.4
117.07003	0.3
119.08607	1.5
121.10115	1.5
123.08057	0.5
123.11717	0.4
127.91797	0.3
132.42273	0.3
133.10144	1.0
135.11722	1.0
137.09651	0.3
143.08630	0.3
145.10121	0.6
147.11703	0.4
158.10835	0.3
159.11641	0.3
161.13295	0.6
161.93466	0.3
163.07578	0.4
163.14767	0.3
175.14914	0.3
203.03114	4.9
207.70590	0.3
226.52907	0.4
236.00697	0.3
244.01469	0.3
262.08090	0.3
353.26715	0.4
477.32919	0.4
585.17316	0.3
613.38568	18.7
614.38867	2.5
639.36505	1.2
654.41541	0.9
657.37537	100.0
658.37933	18.6
658.46613	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88586	0.2
55.05508	0.6
57.64360	0.2
64.46107	0.2
67.05515	1.2
69.07061	0.4
69.25694	1.7
71.08637	0.2
79.05502	1.0
81.07048	1.3
83.08617	0.5
91.05493	0.7
93.07050	1.1
95.08610	1.5
97.10172	0.4
98.23253	0.4
105.07041	0.8
107.00716	0.2
107.08577	1.2
109.10171	1.1
119.08584	0.8
121.10168	0.4
123.08157	0.2
123.11723	0.2
125.09575	0.2
131.08582	0.3
133.10141	0.5
135.11703	0.5
145.10147	0.3
147.11719	0.3
149.13275	0.2
189.11311	0.2
189.16364	0.5
201.16455	0.3
203.03075	1.6
259.62051	0.2
367.51050	0.2
477.33307	2.1
558.69336	0.2
613.37781	0.4
620.52020	0.3
657.37537	100.0
658.37909	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	658.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.6
53.03934	0.8
54.98122	0.7
55.01851	0.8
60.76525	0.6
61.02927	1.0
69.03415	2.8
69.76051	0.6
71.32288	1.2
72.19666	0.6
75.74393	0.6
79.05469	2.6
81.03380	0.9
85.02898	7.5
91.05469	2.3
95.04964	1.2
97.02853	2.0
107.04956	6.6
115.05435	2.1
117.07066	0.9
119.70180	0.6
123.04456	1.7
124.05215	1.1
127.03916	0.9
128.06198	1.0
129.06985	2.4
131.04947	1.0
131.08546	3.7
137.05983	1.7
141.06995	3.8
143.04947	0.8
144.05707	2.4
145.04919	2.0
149.05937	0.9
152.04605	0.8
153.01852	2.3
153.05440	0.9
156.05702	2.9
157.06458	2.2
158.07303	1.1
159.08072	7.3
161.05984	1.1
162.07617	1.8
163.03992	0.7
165.05360	0.9
167.07030	20.0
168.07370	1.2
169.06415	2.1
169.07686	1.2
170.07233	1.9
172.05281	0.7
173.05994	1.0
174.06801	1.1
175.07532	1.3
177.05392	1.0
180.08662	1.8
181.04932	2.2
184.05203	0.9
186.06700	3.1
187.07512	6.0
191.06859	0.9
191.08508	0.8
201.09084	2.2
202.06213	2.2
202.07904	0.9
203.06953	0.8
203.08603	0.7
204.07820	0.8
205.06567	0.6
205.08549	3.3
207.06425	1.1
209.05922	0.8
215.06868	3.7
217.06573	1.4
217.08549	11.6
217.10416	1.0
218.07220	1.2
219.08015	3.6
219.10161	2.2
220.08826	2.1
221.06015	1.0
229.08556	6.5
231.08020	3.9
231.10135	1.3
232.08789	1.3
233.09624	2.3
234.06699	0.9
235.07524	1.0
236.08232	1.2
237.09058	1.3
239.07050	1.0
244.08849	0.8
245.09653	1.9
247.07477	6.3
247.09685	10.2
248.08112	4.3
249.05632	0.6
249.09087	1.8
251.06889	0.8
251.10600	0.9
258.06735	0.9
259.07483	2.1
260.08286	1.2
261.09033	2.0
262.06348	0.9
262.09875	3.6
263.07040	1.3
263.10587	5.3
264.07932	4.3
265.08511	2.6
265.10800	2.9
267.06503	1.0
269.08185	1.5
271.09686	2.4
275.07037	3.2
276.07806	5.1
277.05609	0.6
277.08484	4.3
278.09207	1.1
279.06937	0.8
279.10065	3.5
280.10880	0.9
282.08890	1.3
289.08411	1.8
290.09363	3.5
291.10056	6.4
292.07275	2.0
292.10593	1.3
293.08096	5.3
293.10922	1.0
294.08807	1.8
296.10284	1.5
299.09131	0.9
304.07367	0.7
305.08075	2.3
305.11356	1.4
306.08820	1.1
307.09320	4.2
308.10318	4.8
309.10812	0.8
311.12698	1.0
315.08597	5.8
316.09088	0.9
318.08875	1.1
319.09509	4.2
320.10254	0.9
321.07486	3.6
321.10944	1.0
322.08243	1.9
322.11987	1.8
323.12698	4.9
325.10577	1.5
330.10995	8.5
331.11728	2.9
333.11264	0.6
335.09088	1.4
336.10004	3.6
337.10660	6.2
338.07614	1.1
339.12286	2.6
340.13058	1.3
343.11725	1.5
350.11563	2.2
351.12241	9.4
352.12918	2.3
353.10159	6.9
354.10754	1.0
356.12653	1.0
368.12509	10.7
369.12817	1.3
371.14822	3.7
383.14853	100.0
384.15210	7.5
401.15924	19.9
402.16010	1.4
443.17007	11.3
444.17328	0.9
463.62140	0.7
640.92969	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
55.01875	2.5
57.03436	2.1
61.02918	3.6
64.91212	0.8
69.03436	7.3
71.04994	1.2
73.02914	1.2
79.05504	3.1
81.03416	3.8
81.07066	1.5
85.02905	36.0
87.04484	1.7
91.05474	7.2
93.07022	0.8
95.04974	2.4
95.08621	1.3
97.02896	7.8
99.04435	2.0
103.05495	4.9
105.07020	2.8
107.04960	7.9
109.02893	3.9
109.06532	1.9
109.10259	0.8
115.03948	1.2
115.05450	1.7
117.07034	1.8
119.04978	3.1
119.08580	2.3
121.06518	1.8
122.03664	1.5
123.04436	9.2
124.05225	1.4
127.03903	6.0
128.06223	3.6
129.06999	15.6
131.04918	4.9
131.08591	2.6
133.06471	3.4
134.67227	0.8
135.04477	2.0
135.08044	1.5
137.05978	32.1
141.06960	1.1
143.08554	1.4
144.05713	1.7
145.04951	9.9
145.06482	3.2
147.04417	3.4
147.08029	4.2
148.05170	1.2
149.06012	4.3
151.03935	3.5
151.07552	9.5
153.01854	2.7
153.05510	1.3
154.04935	1.0
155.06004	1.5
156.05661	2.2
157.06500	17.7
158.06863	1.1
159.08037	6.0
160.05200	1.1
161.06001	2.4
163.06024	3.5
163.07558	8.5
164.08322	3.4
165.05547	1.0
165.09105	5.8
167.07045	33.9
168.07526	1.5
169.06470	1.6
170.07280	2.8
171.08102	1.2
175.03964	2.8
175.07542	41.4
176.07896	1.4
177.05499	1.6
179.07007	3.8
181.05005	2.7
181.06477	0.8
181.08607	3.9
185.05971	1.2
186.06793	2.1
187.07545	3.8
188.08380	1.0
189.09041	4.4
191.07033	1.0
193.08594	7.6
193.10016	1.0
199.07587	1.7
200.08183	1.0
201.09114	3.3
202.06163	1.2
202.07794	1.2
203.08536	1.8
205.08607	3.2
207.06421	4.9
208.05254	1.0
217.08571	13.3
219.08078	3.9
219.10117	1.9
220.08856	1.8
221.09598	3.2
229.08647	4.4
231.08012	3.1
231.10175	6.4
233.05978	1.3
233.09593	2.3
234.06664	1.7
237.09081	1.0
247.07487	3.8
247.09708	6.9
248.08215	5.2
249.09029	3.3
249.11237	1.3
250.06133	1.2
253.12163	1.3
259.07483	1.8
260.08344	1.8
261.09171	2.4
262.09903	2.1
263.07065	1.1
263.10703	5.7
264.07788	2.7
265.08511	2.0
266.09396	1.7
267.10129	2.6
269.08060	1.6
271.09647	1.8
275.07150	1.9
276.07898	2.6
277.08591	2.4
278.05731	1.1
278.08914	1.1
279.10138	2.5
281.11752	3.5
282.08704	1.4
284.10602	1.1
289.08365	1.4
290.09360	2.5
291.09946	5.9
292.07416	2.3
292.10721	1.4
293.08099	4.8
293.11472	1.3
294.08661	1.1
299.09485	1.5
299.12744	24.4
300.12891	1.2
305.08054	2.2
307.09653	3.9
308.10443	3.2
309.11221	1.6
311.12598	1.5
314.56903	1.0
315.08612	5.4
317.13840	100.0
318.14182	6.7
319.09454	3.3
321.07559	1.9
322.08353	1.8
322.12064	1.6
323.12714	5.4
325.10504	1.2
330.11002	6.4
331.11615	2.1
336.09933	2.6
337.10770	5.5
338.07657	1.4
341.13550	2.2
350.11432	1.6
351.12238	8.2
352.12766	1.6
353.10077	4.3
353.13940	1.8
368.12497	7.2
371.14868	1.8
383.14890	63.8
384.15320	5.7
385.16382	9.5
401.15897	12.6
402.16010	1.2
443.17032	13.1
502.28967	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
55.01881	0.5
55.05513	1.8
57.03444	0.8
57.07077	6.8
58.06597	2.3
61.02922	2.6
65.03929	1.1
65.90098	0.5
67.05508	4.4
68.05061	0.5
69.03423	1.3
69.07064	2.2
69.59942	2.9
70.06594	18.5
70.31377	0.4
71.05011	0.6
71.08627	2.8
71.93518	0.4
73.02919	0.7
73.45094	0.4
74.06081	0.6
75.90032	0.6
76.66389	0.5
79.05494	2.8
81.03404	1.4
81.07052	3.8
83.08605	1.5
85.02898	1.8
85.06606	0.5
85.10191	0.7
88.07631	19.2
91.03970	1.5
91.05474	2.1
91.43265	0.5
93.07064	2.8
95.04965	1.1
95.08603	3.1
97.02885	2.0
99.04427	0.6
99.70647	0.5
102.09177	19.9
103.05447	1.3
105.03410	0.6
105.07059	1.8
107.04953	1.0
107.08602	1.7
109.02857	0.8
109.10174	1.4
112.13951	0.5
112.63459	0.5
119.08601	1.7
121.10155	1.6
123.04390	0.7
123.08063	1.0
125.45758	0.5
127.03934	1.3
129.07008	0.8
131.04916	1.4
131.08562	1.2
133.10130	1.3
135.11679	1.4
137.05988	2.3
139.03943	0.5
145.04935	0.8
145.10158	0.8
149.02339	37.7
149.13240	0.7
150.02669	1.7
151.07567	0.9
161.05974	2.5
163.07556	1.2
164.08224	0.7
173.45218	0.5
175.03954	1.1
175.14796	0.8
177.05476	1.7
178.59006	0.5
189.09158	0.6
191.07135	0.6
193.04965	44.6
194.05341	2.1
212.23740	0.6
216.22255	0.5
219.06519	1.0
225.05389	0.8
237.07584	12.6
238.08083	0.8
256.26352	47.8
257.26581	3.7
269.04459	2.1
269.07468	0.6
286.08359	4.7
287.08646	3.7
297.03870	2.8
300.28958	1.5
313.06961	2.4
314.07816	8.5
315.08157	8.9
316.08432	0.6
325.14389	1.3
329.10162	22.8
330.10519	22.1
330.14487	1.1
331.10815	1.1
335.25912	1.7
341.06500	10.5
343.08185	0.7
359.07541	7.0
385.09164	22.4
386.09650	1.5
429.11807	27.8
430.12274	2.7
479.30307	0.6
539.22681	0.7
623.26666	0.9
640.34375	1.4
644.05798	0.6
658.23932	7.6
658.35706	100.0
659.24939	1.2
659.36096	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	658.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93988	0.6
55.05502	2.1
58.45713	0.6
67.05462	0.6
69.23483	2.3
69.23901	2.3
70.06589	49.6
71.04997	1.1
71.06922	0.7
72.08152	28.4
72.08568	1.4
75.85838	0.5
79.05466	1.2
81.07045	0.9
85.02946	0.7
86.09702	100.0
87.09236	0.7
87.10043	2.5
91.05463	1.7
93.07036	1.8
95.05021	0.6
96.08112	1.2
97.06546	0.9
97.07648	3.7
98.09702	1.7
103.05461	3.1
105.07038	2.5
107.04935	0.6
109.10202	0.9
112.11243	0.9
114.10356	0.9
115.08686	55.5
116.09009	1.4
120.08098	78.4
121.08430	1.9
121.10185	1.1
124.11285	0.7
131.04921	1.2
137.06023	1.8
140.14348	3.0
141.10239	1.7
145.10059	0.6
146.09691	2.0
151.12331	1.0
153.01878	1.3
154.15923	1.1
157.13342	18.6
158.13609	0.7
161.09642	0.9
165.09053	0.7
165.10318	2.3
167.07066	1.0
167.11758	1.0
168.14993	1.0
169.13374	4.1
172.11224	1.5
174.12836	2.1
179.11870	3.0
181.05013	1.3
183.14944	2.0
185.11226	1.1
185.12856	19.7
185.16479	21.0
186.16016	0.9
188.14359	3.2
195.11241	1.0
196.14447	5.9
197.12886	1.2
211.18037	1.9
213.15967	23.2
214.15646	2.2
217.13376	7.4
218.13835	0.9
219.14923	1.4
224.14015	1.0
225.19696	0.8
233.16476	6.9
239.17604	1.7
247.14470	1.2
253.19011	1.0
253.22801	1.3
259.17969	1.4
261.15948	6.1
262.15500	19.6
263.15808	1.6
264.20520	0.6
272.13937	0.9
284.19672	12.6
285.19568	0.8
287.17636	1.8
287.21191	1.8
298.21442	4.6
310.21109	0.8
315.21054	1.0
326.18225	0.8
332.19656	5.6
343.21375	1.7
352.25925	0.7
360.22809	1.6
361.22672	1.3
369.28555	6.4
375.23901	3.8
386.24234	1.1
397.28098	6.9
398.27597	1.2
403.27203	1.4
417.28708	2.4
431.26541	7.1
432.26712	1.0
445.27939	5.5
446.27582	4.7
447.28030	0.7
456.29672	0.7
474.30719	1.9
499.32892	2.9
511.36078	0.8
516.35217	5.1
517.35596	0.9
527.33075	1.1
539.35504	1.5
544.34839	7.1
545.34570	3.0
559.35925	5.0
560.36127	1.2
613.40735	0.8
630.43585	2.2
640.41730	14.2
641.41205	4.6
658.42810	60.8
659.32770	1.0
659.43195	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	658.4882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	35.6
57.07059	5.1
61.03615	3.7
64.52962	3.5
67.05502	42.1
68.18117	3.8
69.03246	34.9
69.07063	32.7
71.04977	4.8
71.08637	3.7
74.76588	3.4
79.05494	26.7
81.07048	57.6
81.14231	3.7
83.04990	5.0
83.08630	20.0
85.06525	5.8
89.06064	18.3
91.05457	13.4
93.07030	31.0
94.80885	3.8
95.04942	3.8
95.08601	36.3
97.06531	9.0
97.10153	33.3
105.07014	12.3
107.08572	26.0
109.06556	4.0
109.10133	13.7
109.22274	3.6
111.08080	3.8
117.06988	8.6
119.08568	12.4
121.10143	20.8
125.09648	22.7
131.08537	7.1
133.08583	13.3
133.10106	10.0
135.08035	5.1
135.11700	12.7
139.11191	9.1
145.10077	9.3
147.11671	10.1
149.09543	4.9
149.13298	4.5
153.09119	13.0
159.11740	4.9
161.13203	4.4
163.14815	4.0
173.13287	4.0
177.11264	8.6
189.11189	16.3
261.22101	10.0
262.05630	4.4
279.23154	13.0
297.24283	5.6
417.34058	7.0
431.31448	14.5
435.34415	7.0
449.32681	7.2
453.35657	5.2
569.42175	6.1
587.42792	31.8
605.43567	11.9
623.45093	100.0
624.45154	11.4
659.28625	41.8
659.38544	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	658.488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	12.0
55.05505	57.2
57.03415	8.6
67.05503	100.0
69.03429	9.2
69.06750	8.0
69.07066	57.5
69.90491	17.7
69.90886	20.7
79.05477	48.9
81.07059	88.8
83.04977	12.7
83.08611	36.1
89.06027	49.3
89.96889	7.4
91.05481	33.8
93.07040	64.9
95.04959	11.5
95.08604	60.5
97.10177	69.4
98.23262	9.0
105.07046	28.6
107.08575	40.2
109.06480	8.6
109.10159	52.9
117.07008	20.2
119.08573	14.9
121.10119	45.7
125.09637	45.1
127.07482	7.9
131.08563	19.2
133.08621	39.1
133.10143	20.5
135.07990	11.1
135.11729	12.1
137.09703	8.0
139.11159	14.6
143.08533	14.9
145.10112	25.7
147.11729	15.4
149.09538	12.3
149.13225	8.4
153.09100	24.7
159.11699	10.0
161.13313	14.3
168.86711	7.9
175.14767	8.7
177.11211	15.0
185.13408	10.3
189.11223	47.3
243.21091	15.4
261.22031	23.1
279.23178	33.8
288.79193	8.3
295.22513	10.7
297.24393	20.0
311.22220	9.7
326.53433	8.8
343.72998	8.4
399.32553	11.7
413.30508	24.9
417.33658	19.1
431.31305	58.0
435.34738	20.8
449.32556	26.8
453.35181	10.4
533.20410	8.0
569.41962	22.6
587.43103	53.6
588.43091	11.3
605.43768	19.7
623.44940	22.8
624.45911	10.9
630.50684	8.3
658.39807	11.7
659.38715	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.8
52.07720	0.6
53.03944	2.0
53.64819	0.7
55.01867	1.2
62.34421	0.6
65.03932	3.1
67.05488	1.0
69.03427	4.8
69.57429	1.1
69.57852	3.1
71.94836	0.6
79.01865	4.7
79.05502	1.1
81.03419	11.8
85.02906	3.9
88.53085	0.7
91.05495	1.0
93.03381	2.4
95.04961	1.3
97.02893	9.9
97.06464	0.6
99.04446	1.1
101.33770	0.6
104.08961	0.5
107.01307	2.4
107.04961	2.0
108.02108	1.6
109.02869	7.4
111.04462	3.8
123.04395	1.2
125.02338	3.9
125.05982	4.0
126.33601	0.6
127.03922	9.1
135.04373	1.0
135.08060	0.7
137.05910	4.3
141.05473	1.2
143.03413	5.2
145.04953	1.4
147.04459	0.7
151.03909	100.0
151.04991	6.0
153.01830	92.4
153.02887	4.0
154.02139	2.9
165.09120	3.3
167.07045	5.9
168.07275	0.7
169.04974	13.1
171.02879	13.8
172.07121	0.7
181.04958	3.6
191.07045	1.1
195.10239	1.6
209.08228	1.0
216.46973	0.6
225.07452	0.8
242.01988	0.6
259.02689	0.6
287.01447	0.7
295.08136	5.7
297.06052	5.2
313.03552	1.5
313.09189	5.4
315.01566	0.9
315.07086	3.7
330.03693	2.5
345.06003	10.0
346.06845	0.6
442.50491	0.8
659.25238	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.9
55.01879	0.3
56.30075	0.2
69.03413	0.9
71.04998	0.2
77.03935	0.6
79.05486	1.7
81.03406	0.9
85.02891	0.7
89.80814	0.2
91.05452	0.4
92.02603	1.2
93.07047	0.4
95.04969	2.5
95.08591	0.3
97.02876	0.2
99.86182	0.2
103.05498	0.5
105.03391	0.3
105.04513	0.7
105.07024	0.5
107.04932	1.0
111.04438	0.5
121.02817	0.6
121.06498	0.4
122.03664	0.4
129.31259	0.2
131.04932	0.6
132.04459	0.2
133.06496	0.7
135.04408	100.0
136.04752	3.5
137.05974	6.9
137.27449	0.2
138.03123	0.3
138.06306	0.3
139.03923	0.2
145.06480	0.3
147.08154	0.3
149.05988	0.3
151.03896	0.7
151.07541	0.9
153.01878	0.8
153.05463	19.4
154.05807	0.8
161.05969	0.6
163.07555	1.3
167.07021	0.5
175.07510	0.7
177.05447	0.4
181.05035	1.0
181.06358	0.2
187.07518	0.3
189.09070	0.7
193.08420	0.2
195.06483	0.3
195.10118	0.3
201.09108	0.3
203.10664	0.3
209.08073	0.3
219.10146	0.3
225.57846	0.2
229.08662	0.4
291.10141	0.2
297.09610	0.9
342.60205	0.2
403.64926	0.2
424.52365	0.3
462.99326	0.3
671.92560	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.1
57.07066	2.3
67.05495	3.1
69.07056	2.0
70.06599	4.5
79.05485	2.0
81.07050	3.8
85.82268	0.8
88.07620	5.6
91.05453	1.5
93.07026	3.1
95.08601	3.2
102.09184	3.8
102.09830	0.7
105.06997	1.7
106.85037	0.9
107.08575	2.8
109.10129	1.8
119.08578	1.8
121.55841	0.8
125.05996	0.9
133.10129	1.1
145.06454	0.8
147.11642	1.0
149.02327	9.7
150.02696	2.9
159.11699	1.1
167.82901	0.8
171.11725	1.1
175.03836	1.1
193.04968	9.3
194.05281	3.3
237.07600	1.4
256.26346	9.5
257.26706	7.0
285.23987	0.9
291.12665	0.9
341.06375	0.8
360.07538	1.2
385.09064	2.4
386.09525	2.8
429.11731	2.8
430.12061	3.8
477.33209	4.9
495.34436	100.0
496.34885	11.5
659.36523	30.8
660.36951	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4724
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84171	0.9
53.03937	4.1
55.01866	9.6
55.05508	74.8
56.05837	1.1
57.03440	5.0
57.07067	5.4
57.37999	0.8
59.05006	4.6
65.03938	3.7
67.05500	94.6
68.05833	1.7
69.03427	6.7
69.07065	55.0
70.07386	1.9
71.04981	8.1
73.06549	1.3
77.03935	1.1
79.05490	64.5
80.05831	1.1
81.07050	100.0
82.07389	2.4
83.04967	12.0
83.08613	43.4
85.06543	6.7
91.04921	2.0
91.05477	30.7
91.06046	1.6
93.07038	59.8
94.07372	1.4
95.04968	5.1
95.08598	76.7
96.08949	2.3
97.06520	15.0
97.10161	73.0
98.10483	1.9
98.23415	1.9
99.08092	3.0
101.06002	1.1
101.09647	1.3
105.04498	1.6
105.07024	23.2
106.07363	1.5
107.04931	1.9
107.08583	42.2
108.08900	2.7
109.06528	5.2
109.10149	41.6
110.10507	1.5
111.08091	6.2
111.11710	3.5
113.09623	1.4
115.05417	1.6
117.07008	13.2
119.08565	18.4
120.08906	1.0
121.06481	3.4
121.09254	2.1
121.10130	44.2
122.10477	1.7
123.08036	5.2
123.11697	14.5
125.09623	52.4
126.09931	1.8
129.06989	3.9
131.08549	19.7
133.06516	1.0
133.10112	17.4
134.10510	1.2
135.08051	10.6
135.11681	23.3
136.12013	1.4
137.09608	7.8
137.13251	4.2
138.13560	1.0
139.11163	20.3
141.07014	1.0
143.08539	4.2
143.10678	3.3
145.10103	22.2
146.97533	1.0
147.08044	2.7
147.11670	14.9
148.50893	1.0
149.09599	8.0
149.13222	10.4
151.11160	3.4
151.14830	3.5
153.09090	43.5
153.12735	2.2
154.09489	1.1
155.08543	1.5
155.10661	2.2
157.10109	5.7
157.12230	4.0
159.11694	13.0
161.09660	2.3
161.13249	11.7
163.11171	4.8
163.14783	4.1
165.09145	2.2
165.12738	3.0
167.10677	2.0
169.10104	2.1
171.10165	4.5
171.11707	6.1
173.11728	4.8
173.13258	9.1
175.11217	2.7
175.14854	4.9
177.12737	4.9
177.16321	2.2
179.14297	2.5
181.12206	1.1
183.11697	1.6
185.13264	4.5
187.11151	2.3
187.13243	1.4
187.14795	3.7
189.11201	63.8
189.16385	2.0
190.11487	2.8
197.13245	2.1
199.14786	2.0
201.16420	3.5
202.42044	1.0
203.12691	1.3
203.17963	1.0
205.15820	1.6
209.15457	1.0
211.14665	1.2
213.16504	1.5
215.14359	1.1
217.19449	1.1
221.15242	1.0
223.16933	1.2
225.16434	1.3
228.84866	1.4
241.19475	2.1
243.21030	10.9
245.19046	1.3
259.20483	1.4
261.18256	1.4
261.18930	1.3
261.22125	24.8
262.22345	1.2
263.20020	1.3
273.18408	2.9
275.20074	2.3
277.21530	3.1
279.23160	79.4
280.23541	5.3
287.19998	1.4
288.28323	1.1
291.19565	3.2
293.21118	2.7
295.22729	2.4
297.24207	54.6
298.24527	3.7
301.21603	1.5
305.21170	1.6
309.20566	6.0
311.22192	3.5
319.22626	1.6
323.22131	3.2
327.21588	2.8
333.24194	2.7
347.25635	1.6
381.31378	1.7
385.30939	1.8
395.29398	6.5
399.32629	10.9
400.32813	1.1
403.31982	2.6
413.30518	15.7
414.30884	2.5
417.33640	24.5
418.33835	3.2
421.33276	1.1
431.31512	51.4
432.31918	6.0
435.34750	33.8
436.34940	2.7
442.98761	1.1
445.33005	1.3
449.32632	26.4
450.32767	2.9
453.35742	13.6
454.35721	1.7
467.33905	2.1
533.39374	1.8
541.42218	1.2
551.40613	4.2
559.43622	1.5
569.41962	16.8
570.42267	1.7
587.42975	74.0
588.43427	12.5
605.43964	31.8
606.44458	4.7
623.45117	26.5
624.44867	4.5
641.46002	2.7
659.38190	25.3
660.38153	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	660.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
55.01873	0.7
57.03434	0.3
59.21111	0.2
65.03941	2.8
67.05495	0.9
69.03426	1.6
69.39191	1.3
71.04986	0.5
74.11298	0.2
79.01842	0.4
81.03415	5.3
85.02905	2.2
91.05502	0.3
93.03398	2.2
95.04976	0.8
97.02890	4.1
97.68451	0.2
99.04461	0.9
107.04987	0.3
108.02094	1.6
109.02878	2.8
110.03647	0.5
111.04444	4.2
121.02869	0.4
123.04420	0.5
124.48235	0.2
125.02351	0.3
125.05992	4.1
127.03905	2.0
135.04445	0.3
135.08073	0.3
137.05978	0.7
141.05493	1.6
143.03398	0.4
145.04938	0.5
151.03902	100.0
151.04962	6.0
152.04221	3.5
153.01819	8.0
153.03020	0.6
154.02164	1.9
163.07420	0.4
165.09068	0.5
167.07057	0.7
169.04958	13.7
170.05322	0.5
171.02890	1.1
181.05077	0.5
181.08656	0.4
196.64127	0.2
287.37231	0.3
295.08096	7.3
296.08447	0.3
297.05994	0.4
313.03644	0.3
313.09137	5.7
315.07050	0.3
331.04428	0.5
346.06488	0.6
399.04657	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.0
55.01870	5.9
55.05509	15.9
57.03173	1.4
57.03435	15.0
57.07070	2.3
58.49521	0.7
59.04995	1.2
61.02916	3.3
67.05502	35.1
69.03423	2.6
69.07068	10.1
69.20733	6.6
71.01340	2.7
71.04984	3.4
73.02913	1.7
79.05489	38.2
81.03413	10.3
81.07053	26.1
82.07395	1.1
83.01334	5.9
83.04978	14.2
83.08619	9.0
85.02888	5.2
85.06536	2.7
91.03954	1.3
91.04935	1.4
91.05483	18.4
93.07040	45.9
94.07359	1.4
95.04957	5.4
95.08603	10.7
97.02880	3.0
97.06533	9.5
97.10169	8.9
99.04448	2.6
99.08099	1.1
105.07027	8.6
107.04952	6.3
107.08591	27.5
109.06528	5.4
109.10168	4.7
111.04446	2.1
111.08101	2.3
111.11746	0.8
113.05982	1.0
113.09707	0.8
117.07029	8.6
119.08576	8.0
121.06522	4.2
121.10141	9.0
123.04434	1.0
123.08051	5.3
125.05996	1.4
125.09642	2.3
129.07019	0.9
130.07770	1.1
131.04922	0.8
131.08560	3.5
133.10150	4.6
135.08018	3.0
135.11685	37.1
136.12080	1.0
137.05972	1.5
137.09642	1.9
143.08543	0.9
145.06522	1.2
145.10101	14.7
147.07997	1.8
149.13309	1.9
151.03920	1.4
151.07553	1.2
151.11189	1.3
153.12764	2.3
155.08629	1.1
157.08615	0.7
159.11768	1.1
163.09778	1.1
163.11174	18.8
173.09631	2.8
174.69739	0.8
175.35263	0.8
181.04886	1.2
181.12238	9.4
184.07286	2.8
191.10696	3.1
195.13742	1.1
199.13264	1.6
201.08977	0.7
209.11707	3.1
227.12767	4.1
255.15895	60.7
256.16309	3.7
265.14420	1.4
269.17355	4.4
283.15387	44.6
284.15833	2.1
346.89819	1.0
353.16138	0.8
445.25684	3.0
463.26587	100.0
464.27115	11.7
607.34033	0.8
661.31812	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	660.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
55.01866	1.6
55.05516	8.3
57.03440	8.3
57.07074	1.0
61.02929	4.5
61.04523	0.5
61.31887	0.4
65.03935	1.8
67.05505	39.2
68.05831	0.8
69.03427	1.9
69.07070	14.2
71.04993	3.9
72.38696	0.5
73.02927	1.2
77.03900	0.7
79.05493	26.3
79.38009	0.5
80.05798	0.7
81.03436	3.6
81.07055	54.4
82.07387	1.7
83.04979	4.2
83.08620	11.1
85.02911	4.6
85.06542	3.1
91.03967	2.6
91.05473	14.0
93.07043	37.7
94.07388	1.1
95.04979	3.4
95.08598	13.3
96.08943	0.5
97.02908	3.4
97.06532	7.3
97.10157	1.3
98.23476	1.0
99.08091	1.5
100.04832	0.5
105.04542	0.8
105.07020	5.3
107.04958	0.5
107.08591	20.7
108.08911	0.8
109.02888	0.5
109.06541	1.3
109.10135	3.0
111.08081	4.2
113.05989	0.5
113.09715	0.6
114.66904	0.6
117.07001	5.6
119.08582	1.7
120.68015	0.5
121.06514	1.9
121.10142	11.5
123.11711	2.5
125.09586	0.8
127.03918	1.1
131.07642	0.9
131.08556	6.8
133.10135	8.2
135.08093	1.1
135.11682	6.3
138.81290	0.5
139.11208	1.0
147.11716	1.0
149.13249	17.4
149.86115	0.5
151.11189	1.6
159.11684	7.5
161.13205	0.5
163.22008	0.5
168.63872	0.5
177.12761	4.0
195.13773	10.6
213.14909	1.4
245.08701	0.6
251.16425	1.1
269.17462	50.0
270.17877	2.6
335.25833	0.9
336.26230	1.0
390.00919	0.5
445.29651	0.8
463.30524	100.0
464.30902	10.7
515.55688	0.5
609.38837	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.0
54.18019	0.7
55.01867	1.9
55.05513	8.8
55.23726	0.7
57.01955	0.7
57.03441	6.8
57.07068	1.9
61.02928	5.0
65.03921	1.1
67.05502	38.5
68.05853	1.0
69.03413	1.4
69.06713	1.0
69.07070	13.2
69.51089	1.3
69.51506	2.7
70.06574	0.9
71.04984	2.9
71.08613	1.2
72.20502	1.1
73.02908	2.0
79.05489	22.6
80.05839	1.0
81.03411	3.1
81.07056	51.2
82.07393	1.7
83.04990	3.7
83.08616	8.7
85.02895	4.9
85.06530	3.3
88.07641	1.9
91.03947	2.3
91.05479	15.5
93.07045	31.1
94.07377	1.3
95.04966	3.1
95.08604	14.8
97.02895	2.4
97.06540	5.9
97.10161	2.0
98.23251	1.0
99.04435	0.8
99.08072	0.9
105.07020	5.4
107.08594	17.8
108.08926	0.8
109.06512	1.9
109.10126	3.3
111.08080	4.7
117.07013	6.4
119.08573	3.1
121.06501	1.6
121.10137	8.6
123.08074	1.4
123.11697	4.0
125.09660	1.4
127.03958	1.4
131.08554	6.1
133.10129	11.7
135.08037	1.7
135.11678	8.5
137.05936	1.4
137.09566	0.7
145.05028	1.1
145.10086	0.9
147.11699	1.1
149.02347	1.9
149.13246	10.0
150.02676	1.2
150.13611	1.1
151.11226	1.8
153.09135	1.1
159.11681	7.2
161.13266	1.0
177.12746	2.8
193.05019	2.0
194.05302	1.0
195.13811	12.4
213.14929	1.9
251.16483	2.5
253.55939	0.8
256.26373	1.5
257.26736	1.8
258.27258	0.8
264.91727	0.8
269.17465	64.1
270.01755	0.8
270.17856	3.8
280.79453	0.7
330.83133	0.7
430.12000	1.1
431.12030	0.9
443.23648	0.7
445.29526	2.0
463.30533	100.0
464.30902	12.2
540.12299	0.8
576.23157	0.8
607.35431	1.1
617.21136	0.8
660.36493	8.4
661.36615	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
55.01871	1.6
55.05515	7.1
57.03440	5.1
57.07066	1.4
58.78177	0.5
61.02924	2.5
61.92744	0.5
65.03944	1.7
67.05504	33.6
68.05836	0.7
69.03439	0.8
69.06711	0.8
69.07066	10.8
69.38847	3.6
71.01344	0.5
71.04995	3.1
71.08642	0.6
73.02919	1.2
77.03937	0.5
79.05491	22.1
80.05833	0.5
81.03408	3.1
81.07055	48.1
82.07377	1.1
83.04981	3.5
83.08616	9.6
85.02898	2.6
85.06546	2.1
91.03968	1.1
91.05476	15.9
93.07042	31.4
94.07338	0.8
95.04955	3.8
95.08600	13.2
97.02892	1.6
97.06535	6.3
97.10165	1.4
99.08087	1.4
105.04542	0.9
105.07032	8.4
107.04958	0.9
107.08595	18.4
109.05713	0.5
109.06512	1.6
109.10143	3.7
111.08085	3.8
111.41551	0.5
117.07007	6.3
119.08590	4.2
121.06519	1.5
121.10146	10.2
123.04429	0.5
123.08090	0.8
123.11685	2.4
125.09637	0.9
129.07027	1.7
131.08566	8.3
133.10127	9.9
135.08055	1.6
135.11705	6.1
137.05952	0.9
137.09604	0.6
141.06970	0.6
141.09039	0.5
142.07809	0.5
143.08553	1.6
145.10124	2.1
147.11688	1.8
149.08478	0.6
149.09605	1.0
149.13248	12.6
151.03900	1.1
151.07523	0.5
151.11177	1.3
153.09109	0.8
155.08609	0.9
157.10120	2.3
159.11687	7.7
163.11104	0.8
165.05453	0.6
167.08528	0.7
169.10075	0.7
171.11690	1.2
173.09459	0.8
173.13319	0.7
177.12750	3.4
177.16464	0.5
184.07262	0.5
185.13275	1.2
187.14948	0.5
195.13795	7.7
197.13251	0.9
209.13197	0.8
213.14752	1.0
251.16470	1.9
269.17465	30.4
270.17795	1.5
291.13419	0.6
343.26501	1.1
353.24792	1.8
371.25787	1.3
388.51459	0.5
389.26587	1.0
427.28510	1.1
445.29593	11.7
446.29788	1.2
463.30521	100.0
464.30914	11.7
481.31912	0.7
584.14087	0.5
605.87036	0.5
607.34619	1.8
660.35272	1.4
661.31671	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	660.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.5
55.01875	1.1
55.05513	8.2
57.03437	8.9
57.07069	1.0
61.02925	1.6
61.15075	0.4
62.20983	0.5
63.18296	0.5
65.03935	1.1
67.05504	42.0
68.05833	0.9
69.03421	0.5
69.07069	14.3
71.01351	0.7
71.04993	2.8
71.08620	0.8
73.02920	1.2
79.05490	23.4
81.03419	2.0
81.07056	54.6
82.07405	1.1
83.04981	4.0
83.08616	11.2
85.02911	1.5
85.06541	3.6
88.26360	0.4
91.03963	0.6
91.05482	11.7
93.07044	40.6
94.07365	0.9
95.04977	3.6
95.08606	13.0
97.02919	1.1
97.06530	7.6
97.10158	1.5
99.04420	0.5
99.08099	2.1
100.60497	0.5
105.04524	0.6
105.07027	5.0
107.08595	22.5
108.08968	0.6
109.06512	2.0
109.10158	1.7
111.08073	5.0
111.11710	0.8
113.05975	0.4
113.09640	0.9
117.07023	5.7
119.06133	0.5
119.08610	1.5
121.10145	14.5
123.08098	0.8
123.11718	1.5
131.08575	6.3
133.10124	5.8
135.08057	1.2
135.11693	5.6
136.78842	0.6
139.11206	0.6
141.54135	0.5
144.09384	0.6
147.11710	1.2
149.09627	0.6
149.13252	22.4
150.13580	0.8
151.11156	0.7
159.11691	9.4
160.12004	0.5
177.12776	4.4
193.30292	0.5
195.13797	8.9
196.14020	0.5
213.14876	1.3
216.68166	0.5
250.34785	0.5
251.16617	0.6
269.17468	60.3
270.17767	4.5
348.34363	0.5
357.39670	0.5
462.21371	0.5
463.30533	100.0
464.30884	14.3
471.08435	0.5
508.06064	0.6
536.16241	0.5
604.36670	0.6
660.35968	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.7
51.89939	0.4
53.03939	1.2
55.01860	2.1
56.33297	0.3
65.03934	1.4
67.05497	1.4
68.99764	1.0
69.03415	0.8
69.07056	0.3
71.34203	0.4
71.34569	0.3
74.36523	0.3
77.03922	0.6
79.05495	1.9
81.03399	1.1
81.07046	0.4
81.86238	0.3
83.01326	0.3
83.04985	0.3
85.02884	0.9
91.05473	2.7
93.03399	0.9
93.07050	0.4
95.04961	4.7
97.02839	0.6
103.05455	2.7
105.03403	1.6
105.04488	0.5
105.07033	0.9
107.04949	3.4
107.08643	0.3
109.02891	1.9
109.06458	0.3
109.10149	0.5
111.04422	1.1
111.09142	0.3
115.05417	0.9
117.06253	0.5
117.07008	5.2
119.04928	4.4
121.02858	0.7
121.06487	0.4
121.10105	0.8
122.03593	0.5
123.04417	32.9
124.04810	0.9
125.05966	0.4
127.03893	1.2
129.07025	0.3
131.04918	6.8
133.06438	0.6
135.04413	3.6
137.02304	0.9
137.05969	7.0
137.09622	0.3
139.03879	13.4
140.04597	0.6
141.05472	0.4
142.02631	0.4
143.04901	0.9
145.06470	9.5
146.03664	0.3
147.04388	17.3
149.05898	0.7
149.09543	0.6
151.03886	100.0
152.04248	3.6
153.01836	0.9
153.05446	2.7
153.06735	0.4
155.07025	1.5
161.05945	3.9
162.06569	0.6
163.03894	4.3
163.07550	2.8
165.05466	7.8
165.09088	0.4
167.07027	7.4
167.08443	0.4
169.05063	0.4
169.06418	0.6
173.05946	4.1
175.03877	0.8
175.07524	1.3
177.05476	0.8
177.09093	3.8
179.06998	1.5
181.04933	11.8
181.06462	0.4
181.08382	0.3
182.05199	0.4
183.06436	1.9
183.07858	0.3
187.07521	1.5
189.05423	1.0
193.04926	4.4
194.05327	0.4
195.06482	0.5
197.05965	0.9
199.07617	0.4
201.05347	0.5
205.06618	0.5
205.08568	7.1
206.07262	0.4
207.06485	3.0
209.08131	0.5
211.07487	0.4
215.07043	1.3
217.08549	1.2
221.09744	0.7
225.05437	0.4
234.06725	0.7
239.06956	0.5
243.06409	0.7
249.09128	2.0
257.08139	0.7
263.07007	0.3
267.06519	0.4
277.08588	2.2
278.09320	0.4
281.11771	0.8
285.07520	3.0
295.09360	0.4
303.08591	66.7
304.08945	4.5
309.11157	1.9
310.11783	0.8
329.14197	0.3
341.13760	2.8
357.13470	0.6
359.14838	60.3
360.15179	5.6
509.17804	0.5
570.47449	0.3
620.76410	0.4
661.22260	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15142	0.2
55.01858	0.4
55.05515	0.4
55.52023	0.2
57.03416	0.3
67.05489	0.4
69.03416	1.0
69.07057	0.6
69.10333	2.4
75.93557	0.2
76.37143	0.3
76.81387	0.2
79.05487	1.1
81.03410	0.9
81.07050	1.0
83.04969	0.3
85.02914	0.6
85.06519	0.3
91.05464	1.3
91.80097	0.2
93.07042	3.1
93.75254	0.2
95.04963	0.4
95.08601	0.6
96.66923	0.2
97.02852	0.4
97.06556	0.2
97.10135	0.2
99.04421	0.4
103.05450	0.5
105.07023	1.7
107.04938	0.5
107.08589	1.2
109.02874	0.8
109.06544	0.5
109.10133	0.4
119.08605	0.9
121.02866	0.3
121.06515	0.3
121.10139	4.1
123.04436	0.6
123.11662	0.3
125.09707	0.3
127.03911	0.8
131.04890	0.4
131.08577	0.5
133.10123	0.5
134.06009	0.5
135.04367	0.3
137.05957	0.9
139.03880	0.7
145.06439	0.3
145.10052	0.3
147.04399	0.5
147.11665	0.3
149.09596	3.8
151.03899	1.3
151.07501	0.3
152.07050	0.8
153.01843	0.5
153.05473	0.3
161.05995	0.6
163.07518	0.5
163.11237	0.3
166.08585	0.6
167.07028	0.4
167.10667	0.4
173.13332	0.3
177.05536	0.5
179.06970	0.3
181.04951	0.5
184.07309	0.6
191.06963	0.3
191.10460	0.2
194.08122	1.4
203.07060	0.3
221.10635	0.2
222.07492	0.3
223.12309	0.5
231.06120	0.2
235.08722	0.7
236.09515	0.5
237.10255	1.6
238.10881	0.5
249.10223	6.1
250.10942	2.5
251.08159	1.2
251.11758	3.1
252.12364	0.8
261.10162	0.6
262.11029	0.5
263.08163	0.6
263.11719	0.4
264.08914	0.8
265.09723	6.4
265.12909	0.3
266.10233	0.7
267.11179	0.3
268.11984	0.5
273.11261	0.6
277.09656	3.0
278.10464	6.1
279.04630	0.5
279.07657	8.0
279.11246	10.6
280.07959	0.6
280.11865	1.5
282.09933	0.7
285.10989	0.3
289.09421	0.4
292.08264	0.4
293.09219	1.5
293.12701	7.7
294.13199	0.8
295.11002	0.5
295.14417	0.3
296.11496	0.9
297.12274	0.9
303.08456	0.5
305.09103	1.1
306.09900	1.1
307.10770	2.7
308.11359	0.8
309.12274	1.0
310.09445	0.7
310.12973	0.4
311.10245	6.0
311.14362	1.1
313.11411	0.3
321.12158	0.9
322.12872	0.6
323.10068	0.7
323.13898	0.6
324.10883	1.2
325.11761	3.3
326.12619	0.9
327.12610	0.4
328.14185	0.3
333.08691	1.1
337.11923	0.7
338.12518	0.7
339.13367	29.9
340.13763	2.9
341.11420	0.3
342.12433	0.4
349.11703	0.3
351.09689	3.7
352.10461	2.4
353.15018	2.3
354.12433	0.3
355.13120	0.9
356.13834	1.0
359.14777	0.5
366.12027	3.6
366.16254	0.3
367.12814	5.6
367.16803	0.3
368.13617	0.8
369.14386	1.5
370.15387	0.7
380.13889	0.7
381.14334	0.4
383.12518	1.1
384.13211	3.0
397.13968	0.4
398.14673	4.0
398.19046	0.4
399.15463	100.0
400.15787	9.7
401.13635	0.6
414.14468	0.6
428.16205	0.3
429.16965	0.4
430.17404	0.3
444.19098	0.6
457.16388	2.0
458.17197	1.3
474.16147	0.3
488.17984	0.4
489.18896	6.0
490.19519	2.3
506.19037	0.6
508.20346	0.4
538.21796	16.7
539.22498	8.1
540.22925	1.1
579.21790	0.3
597.23279	1.1
611.25104	0.3
629.26086	1.9
636.83325	0.3
661.38348	4.3
662.38208	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.4
61.02929	0.6
67.05502	1.0
69.07071	0.5
69.72392	1.6
79.05497	1.2
81.03442	0.4
81.07061	1.0
83.04983	0.4
86.09724	0.5
91.05479	1.1
93.07030	0.8
95.04947	0.4
95.08614	0.7
97.06519	0.4
100.52546	0.3
105.07035	0.4
107.08601	0.8
119.08566	0.5
121.10138	0.4
135.11737	0.7
151.03882	0.4
159.08124	0.4
169.12360	0.3
171.11646	0.3
177.05478	0.6
184.07393	1.1
185.04243	0.6
203.05397	0.5
220.40123	0.4
243.08484	1.3
255.16142	0.6
286.98618	0.3
299.09116	1.0
304.09918	0.3
329.10126	0.4
362.14835	0.4
374.65186	0.3
413.23193	0.6
421.29385	0.3
425.23270	0.6
443.24060	4.2
464.26624	0.3
465.28412	0.5
471.27216	0.5
499.26672	3.9
500.27554	0.4
633.32867	1.7
661.31873	100.0
662.32178	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	661.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85392	1.5
53.03947	2.6
55.05515	5.3
56.59086	1.5
57.03437	2.2
57.07071	5.8
59.05001	2.6
67.05508	9.1
69.07075	5.2
69.94108	5.4
71.05006	2.4
75.04481	100.0
79.05497	11.6
81.03432	2.4
81.07066	11.1
83.83649	1.8
85.06579	1.9
87.04470	5.7
91.05490	11.2
93.07059	8.2
95.04995	3.3
95.08601	6.7
97.06535	1.9
97.10175	3.4
105.07043	8.0
107.08577	4.3
109.06519	4.0
109.10191	3.6
113.06016	3.2
117.07029	3.1
119.08579	5.2
119.67475	1.5
121.06535	2.3
121.10156	5.2
123.08063	3.0
129.07018	2.3
131.08563	4.6
133.06529	1.7
133.10150	4.7
133.60597	1.6
135.08052	1.7
135.11690	2.4
137.09613	3.9
142.07825	1.7
143.08553	4.1
143.67795	1.8
145.10069	9.0
147.08038	2.8
147.11687	2.1
152.49191	2.0
153.05429	5.0
153.12636	1.5
155.08559	2.8
157.10138	3.9
159.08011	2.3
159.11703	2.9
161.09587	2.0
165.09122	3.5
173.09641	7.5
191.07025	3.3
193.08630	7.2
197.13235	3.9
199.14815	4.2
201.12730	3.5
201.16344	2.7
205.08636	3.2
211.09720	8.5
215.10681	9.3
215.14314	5.3
215.26054	1.8
223.09746	2.3
231.10155	3.0
237.14818	2.2
239.10599	2.4
249.11227	2.8
251.16547	4.2
278.73859	2.1
301.14331	5.2
319.15356	7.7
369.30414	2.2
387.21320	2.4
443.24255	2.4
525.76917	1.9
569.31000	5.9
661.37103	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	661.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05489	1.3
50.50863	1.5
55.01860	3.3
55.05505	5.1
57.07070	6.8
59.04998	5.5
67.05502	7.2
69.07069	4.8
69.84472	8.2
70.71905	1.6
71.04987	1.9
72.91534	1.5
75.04480	100.0
79.05503	7.4
81.03416	2.3
81.07063	13.4
83.08618	4.7
85.06528	3.2
87.04475	5.5
91.05502	9.4
93.07039	6.7
95.04992	2.2
95.08637	4.8
97.06547	3.7
105.07034	7.0
107.08610	4.1
109.06525	7.4
109.10142	4.5
113.05950	2.4
117.07092	3.1
119.08583	4.7
121.06499	3.4
121.10177	4.8
125.09665	2.8
129.06940	2.3
131.08565	4.2
133.10123	4.2
135.11707	3.8
137.09663	3.2
142.07730	2.2
143.08534	3.3
145.10127	5.4
147.08054	2.6
151.11237	3.3
157.10144	2.0
159.08087	3.3
159.11678	2.2
161.09625	2.7
163.07602	1.9
165.09108	3.0
167.10730	2.2
169.04837	2.1
173.13391	1.9
177.05446	1.9
177.09059	1.7
185.13329	2.3
187.07442	2.1
188.47174	1.6
191.07021	3.5
193.08601	5.0
195.10207	2.1
199.14906	1.7
203.06958	1.8
205.08597	2.8
207.10162	3.0
209.07979	2.3
209.15202	1.8
211.09671	6.7
215.14293	6.6
223.09583	2.0
225.11192	3.7
231.10081	3.6
235.13145	2.2
237.14842	2.2
247.09421	1.9
249.11250	4.3
251.16379	3.2
261.15091	1.8
275.13016	1.8
279.15942	2.7
297.11481	2.0
297.14935	2.5
301.14313	4.8
315.16171	2.1
319.15399	5.7
333.17145	2.6
387.21655	5.2
425.19092	3.3
425.23993	2.0
429.22665	2.0
434.14023	2.2
449.33582	1.8
464.30988	2.3
482.99973	1.9
513.60211	2.0
563.42377	2.6
569.30603	10.3
643.36011	5.2
661.36932	19.0
662.37335	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	661.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
55.01870	2.0
55.05503	5.7
57.00238	0.8
57.07069	1.8
57.47005	0.8
58.39447	0.8
59.15799	0.8
62.02287	0.8
62.10213	0.8
65.03965	1.4
65.55220	0.7
67.05497	9.7
68.05835	1.4
69.03436	2.0
69.07069	8.0
69.24013	6.3
69.24417	1.6
71.04991	2.4
79.05498	9.2
81.03429	2.0
81.07056	14.2
82.07384	1.3
83.04968	1.0
83.08627	6.5
85.06535	2.2
86.09711	0.9
87.04483	0.9
89.03921	4.3
91.05479	7.8
93.07036	14.2
95.04987	2.5
95.08608	14.4
96.08949	1.9
97.06533	2.4
97.10179	3.6
99.08081	1.1
105.07029	13.8
106.07402	1.3
107.04999	1.2
107.08591	14.0
109.06527	1.3
109.10169	9.9
110.10560	1.1
111.08116	1.9
117.03394	8.6
117.07056	2.0
119.08582	15.6
121.06504	1.9
121.10149	12.3
122.10469	1.0
123.08087	2.6
123.11708	4.0
125.02401	1.4
125.06020	1.1
125.09638	2.5
127.68681	0.8
129.07013	2.3
131.08572	8.6
133.10126	12.2
134.10460	1.8
135.08078	2.3
135.11684	9.3
137.05968	1.2
137.09630	3.6
137.13258	1.2
139.07550	2.0
139.11067	1.0
141.09096	2.0
143.08591	2.9
145.02841	21.7
145.03914	1.5
145.10124	10.7
147.04410	1.9
147.11691	6.9
148.11986	1.1
149.05994	5.1
149.09651	2.2
149.13266	3.5
151.07562	2.1
151.11166	2.0
153.01860	0.9
153.05461	1.8
153.09091	1.7
155.08560	2.2
157.10152	3.4
158.10936	1.0
159.08067	2.0
159.10463	1.1
159.11649	5.3
160.12120	1.2
161.09598	1.2
161.13246	5.2
163.03893	1.1
163.07542	1.1
163.11191	1.4
163.14844	2.5
167.07092	1.0
167.10667	1.0
169.10213	1.3
171.11728	3.5
172.12239	1.2
173.09599	1.3
173.13243	6.5
174.13861	1.3
175.11235	1.3
175.14809	6.7
177.05470	44.0
177.16367	2.2
178.05844	2.0
179.07040	1.6
182.10994	1.1
183.11737	3.1
184.07291	2.0
185.08073	0.9
185.13271	3.3
187.11206	1.5
187.14789	7.9
189.09157	0.9
189.11223	1.4
189.16394	3.6
193.05080	1.2
195.06538	3.5
197.13365	1.9
199.14841	2.2
201.12848	1.8
201.16418	3.2
202.16788	1.0
203.14372	1.3
203.18030	2.8
204.18370	1.4
205.15875	4.5
209.13455	1.2
211.14801	1.8
213.12801	1.2
213.16422	1.0
215.14388	6.3
215.17924	2.6
216.18396	1.3
217.15924	1.4
223.14938	1.0
225.16385	2.5
227.18063	1.3
233.15378	2.7
237.14748	1.8
239.17903	2.1
255.21057	1.1
257.18552	1.1
259.20944	1.0
261.18460	1.9
262.18936	1.3
279.23236	2.2
287.16376	1.5
295.22961	1.5
321.22049	1.1
334.11707	7.1
349.10443	21.0
350.10773	1.8
367.22632	1.4
377.28629	1.5
385.23718	2.8
385.28897	1.5
403.29767	1.5
406.29904	1.1
410.34860	1.3
421.31012	16.1
422.31302	1.3
423.29025	2.6
437.34406	2.1
438.34329	4.9
439.32053	5.6
449.30490	12.8
450.30475	2.5
467.31577	100.0
468.31799	11.5
515.47662	1.2
568.50360	1.0
654.15149	0.9
661.24054	9.5
661.38770	18.8
662.38806	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.4881
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18927	2.6
53.03949	3.2
55.01871	7.8
55.05508	30.6
57.03435	4.9
57.07075	5.1
64.65881	2.4
65.03944	3.2
67.05505	88.8
69.07067	35.8
71.04993	8.1
79.05492	62.6
81.07053	100.0
82.07393	2.4
83.04983	6.8
83.08614	25.2
85.06548	10.1
91.05483	36.3
93.07047	57.8
93.07597	4.6
95.04974	5.4
95.08600	79.5
96.08927	4.2
97.06527	13.9
97.10162	19.5
98.22495	5.0
105.07038	32.2
107.05000	5.2
107.08585	39.1
109.06553	5.5
109.10158	41.9
111.08070	7.7
116.89595	2.4
117.03452	3.5
117.07034	12.2
119.08572	25.6
121.06490	3.7
121.10127	39.4
121.10956	3.0
123.08076	9.9
123.11707	13.5
125.09629	13.2
125.33251	2.5
129.06992	5.9
131.08549	16.9
133.06464	3.0
133.10127	25.8
135.08072	8.8
135.11700	22.3
137.09630	8.9
137.13281	3.9
139.07507	2.9
139.11168	6.1
143.08580	6.3
145.02855	11.2
145.10115	25.4
147.08041	4.2
147.11687	20.4
149.09641	19.7
149.13234	11.9
151.11198	4.8
153.09108	15.1
157.10086	7.7
157.13475	2.6
159.10425	4.3
159.11676	21.4
161.13286	10.3
163.11194	10.7
163.14845	4.3
165.12743	4.2
167.10669	8.2
169.10133	3.5
171.11703	8.2
172.72658	3.1
173.11797	5.6
173.13271	12.3
175.11127	2.7
175.14885	4.6
177.05428	16.2
177.12761	10.9
179.14304	3.6
183.11757	4.2
185.13307	4.5
187.13310	5.0
187.14824	3.6
189.11250	5.9
211.14891	2.9
211.81364	2.6
229.19679	3.2
239.17984	10.0
243.21094	4.7
247.20529	3.8
257.19043	11.9
261.22116	9.8
265.21631	5.7
275.17102	2.7
275.20059	53.5
275.22910	4.2
276.20590	3.2
277.21671	5.6
279.20200	2.1
279.23163	45.4
293.21082	87.4
294.21512	5.2
297.24225	21.7
298.24799	2.6
302.57462	2.8
311.22131	9.3
330.52191	2.4
359.56464	2.4
473.37076	2.8
495.89426	2.6
517.39868	3.3
535.41589	7.0
553.42444	24.7
554.42877	3.7
571.43665	56.2
572.43921	9.7
589.44714	30.2
590.45050	6.3
607.45776	5.6
625.46234	7.9
661.37451	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.5245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.5
55.01868	3.6
55.05507	19.8
57.03440	2.5
57.07072	4.3
58.44953	1.1
59.04975	1.0
62.69882	1.2
65.03934	2.2
67.05502	66.9
68.05831	1.4
69.03439	1.6
69.06696	2.0
69.07061	27.2
69.31944	4.8
69.32368	3.9
70.07397	1.6
70.13735	1.0
71.04993	5.1
71.08633	1.6
73.02928	1.0
79.05488	30.2
81.07052	78.4
82.07386	2.4
83.04972	4.5
83.08615	13.9
85.06529	5.0
87.04405	1.3
91.05473	16.3
93.06444	1.5
93.07040	32.3
95.04957	4.1
95.08601	73.8
96.08920	2.2
97.06512	7.0
97.10155	10.3
99.08059	2.9
103.42004	1.0
105.07024	13.1
107.08579	22.7
109.06490	2.8
109.09406	2.1
109.10150	36.8
110.10515	1.8
110.59251	1.1
111.08089	3.1
111.11676	1.5
114.09241	1.0
117.07001	2.9
119.08576	11.5
121.06516	1.4
121.10141	22.2
121.10973	1.9
123.08057	2.8
123.11684	11.1
125.09647	2.7
131.08568	9.0
133.10121	10.2
135.08003	1.7
135.11693	14.1
137.09619	2.5
137.13240	8.1
138.45796	1.0
139.07550	1.5
139.11169	2.6
145.10129	6.8
147.11668	10.8
149.09628	2.6
149.13272	7.7
151.11218	1.8
151.14809	2.8
153.12552	1.3
159.11684	6.0
161.13235	9.1
163.11134	1.5
163.14835	4.7
165.12737	2.5
167.10587	1.2
171.09891	1.2
173.11694	2.9
173.13237	5.4
175.14790	3.5
177.12764	1.4
177.16309	1.7
179.14369	2.6
187.14804	4.1
191.14349	1.7
205.15721	1.3
209.15417	2.5
223.17087	2.1
243.21051	10.3
261.22113	26.9
262.22449	1.6
279.23172	100.0
280.23474	8.1
295.23059	1.3
297.24210	30.9
298.24622	2.3
311.25800	2.5
329.26819	4.4
481.67905	1.4
539.44659	4.6
557.45502	10.2
558.45941	2.7
575.46600	3.6
661.39441	7.4
662.41876	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	0.3
51.02379	0.4
53.03949	1.1
54.82426	0.2
55.01866	0.2
57.03436	0.3
60.07288	0.2
60.93192	0.2
61.79877	0.2
69.03429	2.6
69.47546	0.2
71.00050	0.3
71.00364	0.2
71.04990	0.4
73.02934	0.2
77.10950	0.2
79.01852	3.3
81.03413	7.1
82.03767	0.2
85.02905	3.1
97.02891	6.8
99.04446	0.8
107.01302	1.8
109.02177	0.3
109.02879	4.6
123.00816	0.2
125.02346	3.9
127.03914	8.5
135.00690	0.3
137.05974	0.3
143.03389	5.1
143.04424	0.4
145.04924	1.1
153.01823	100.0
153.02864	4.0
154.02171	3.1
171.02881	14.6
172.03157	0.5
181.04945	0.6
237.03862	0.4
271.02490	0.4
283.99606	0.2
297.06042	7.9
298.06427	0.4
299.01718	0.7
315.07068	8.4
316.02142	0.6
316.07498	0.6
331.04572	1.1
523.08563	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.2
53.03947	4.1
55.01865	4.1
59.85241	1.1
61.02939	1.5
65.03941	2.6
67.05504	2.8
69.03437	6.4
70.92302	2.2
70.92624	1.3
77.03893	1.3
79.05492	9.8
81.03419	4.7
81.07058	5.3
85.02908	8.2
91.05469	11.6
93.07040	8.2
94.04193	1.7
95.04971	8.5
95.08611	1.9
97.02884	4.9
103.05461	21.6
103.16747	1.0
105.04520	1.5
105.07030	12.5
105.75693	1.2
107.04957	31.7
107.08595	2.5
109.02875	2.9
109.06506	4.9
109.10146	1.4
113.82365	1.1
115.05456	13.7
116.06205	1.2
117.06998	4.5
119.04935	3.9
119.08580	2.4
121.02861	2.5
121.06494	13.0
121.10162	7.6
122.03656	3.3
123.04424	10.7
127.03895	2.6
129.06944	1.2
131.04924	17.8
131.08717	1.4
133.06493	5.9
135.04391	1.7
135.08054	8.5
137.05980	100.0
138.06323	3.3
139.03891	1.8
143.04887	6.3
145.04982	1.3
145.06461	5.0
145.07538	1.4
147.04407	8.9
148.05162	3.5
149.04848	2.3
149.05981	29.3
149.09563	3.5
151.03888	6.4
151.07526	8.0
153.01830	3.8
153.05470	2.2
157.10236	1.5
159.07983	1.5
160.05180	1.3
161.05977	88.2
162.06313	3.0
163.03940	2.5
163.07538	44.5
164.08328	9.2
165.05554	1.8
165.07002	1.6
165.09033	1.7
167.07216	1.8
167.08537	2.8
174.74432	1.3
175.07524	13.5
177.05498	2.6
177.06931	2.2
177.09138	5.5
178.07765	1.4
179.07030	11.3
179.08572	4.0
182.07220	1.7
183.08057	1.6
184.07277	1.2
187.07567	1.3
189.09094	3.1
191.07088	1.8
193.10162	1.4
195.08078	5.2
196.08760	1.2
197.06099	1.6
199.07518	1.4
201.09033	1.3
205.06540	2.5
207.08063	3.0
209.09717	1.5
210.06651	1.6
211.07521	2.8
219.07976	2.0
222.06721	1.9
223.07559	7.6
224.08325	2.7
225.09116	5.6
233.05917	3.9
235.07538	6.5
236.08173	1.2
237.09003	1.9
239.06923	2.8
239.10651	3.8
241.08640	2.1
245.09660	1.9
247.07564	1.3
248.08557	1.4
249.09132	1.7
251.07021	14.8
252.07719	3.9
253.08655	3.8
255.10173	2.9
257.08026	1.6
258.57129	1.4
262.09827	1.3
263.10611	1.4
265.08658	5.4
267.10196	8.1
268.07355	1.6
269.08133	2.5
270.08710	1.4
271.09708	4.9
273.11365	2.2
279.10367	2.0
280.10907	1.3
281.11456	1.6
283.09671	20.8
284.10287	6.6
285.11212	31.0
286.11746	2.3
291.10233	3.5
293.08054	1.8
294.08755	1.7
295.09592	3.9
295.13095	1.6
296.10568	1.3
297.11121	4.2
299.12704	1.6
301.10742	3.8
303.12283	7.4
305.11700	4.0
307.09775	2.3
308.10410	4.7
309.11243	10.4
311.12735	4.9
323.12769	30.4
324.13293	4.6
325.10727	10.0
399.15448	1.4
401.17206	1.4
415.15256	3.2
447.18021	62.2
448.18335	10.1
465.19061	38.9
465.24216	0.9
466.19327	4.7
566.24878	1.3
662.38318	2.8
663.37885	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.5
55.01869	4.6
55.05508	21.5
57.03435	23.2
61.02912	3.8
62.48363	1.6
65.03927	3.6
67.05154	3.3
67.05499	45.6
69.03427	4.2
69.07063	15.3
71.01356	3.1
71.04987	4.9
79.05491	48.5
81.03414	61.8
81.07055	34.9
82.03751	1.8
82.07416	1.8
83.04977	20.1
83.08623	16.4
85.02900	18.6
85.06537	4.0
91.03954	1.8
91.05479	38.3
93.07044	46.1
93.47879	1.7
95.04967	28.6
95.08608	12.7
97.02889	5.6
97.06534	9.5
97.10167	12.4
105.04443	1.9
105.07015	22.3
107.04943	7.9
107.08593	32.2
108.08893	2.5
109.06522	4.4
109.10141	6.6
111.04419	2.4
111.08083	9.2
113.06065	1.6
115.05426	2.5
117.07014	5.0
119.08581	19.0
121.06475	4.0
121.10193	10.5
123.08115	3.1
125.09608	2.5
129.07028	7.4
131.08582	10.9
133.06529	1.9
133.10100	11.0
135.08087	2.3
135.11678	36.4
136.12041	2.2
137.09599	3.1
142.07776	2.1
145.10078	9.5
147.08070	4.4
147.11690	11.5
149.09590	6.3
153.95465	1.9
157.10153	10.1
163.11168	7.0
165.12746	2.2
167.14369	2.2
175.11191	13.6
181.12161	10.2
184.07457	1.8
189.67752	1.7
193.12248	34.3
201.16316	1.8
211.13289	53.5
232.05988	1.6
255.15898	68.4
256.16284	4.6
267.15952	25.4
268.16284	2.5
278.59991	1.6
285.16956	33.7
286.17181	2.0
447.27386	66.5
448.27615	8.8
454.68411	2.0
465.28464	100.0
466.28690	9.1
474.16174	1.8
539.52002	2.0
599.84192	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.4984
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52333	3.2
53.03951	8.3
55.01867	5.4
55.05503	33.0
57.03435	14.2
57.07079	23.1
57.07325	3.5
65.03927	7.4
67.05507	84.5
69.03429	7.0
69.07067	26.8
69.18359	31.2
71.04987	8.8
71.57722	3.1
75.04482	24.4
78.69485	3.4
79.05490	80.5
79.54842	3.6
81.03406	5.8
81.07058	100.0
83.04974	11.5
83.08612	13.6
87.04463	33.6
91.05480	62.8
92.71011	3.4
93.07039	94.2
95.04965	16.3
95.08602	67.1
96.08932	3.3
97.06518	13.3
97.10153	5.7
99.08109	5.4
105.07019	65.1
107.04948	8.0
107.08607	50.3
108.08873	4.2
109.06505	11.6
109.10163	29.4
111.08061	4.6
117.07030	24.5
119.08577	42.9
121.06493	10.7
121.10130	35.6
123.08068	11.2
123.11665	6.5
129.07004	11.8
131.08542	29.5
133.10144	30.4
135.08067	10.6
135.11700	26.3
137.06010	4.9
137.09587	24.8
138.82925	3.4
142.07770	10.0
143.08601	18.8
145.10112	39.1
147.08080	5.2
147.11678	25.0
149.05989	9.6
149.09616	9.1
149.13249	14.2
151.11095	3.4
153.05478	7.1
155.08620	4.2
157.10080	23.0
159.08020	6.5
159.11743	21.8
161.09647	10.8
161.13243	8.9
163.07533	6.0
163.11206	4.9
165.09109	10.6
169.10143	4.4
171.11638	8.1
173.13312	9.8
175.11185	9.8
175.14842	8.2
177.12714	6.1
179.14357	3.7
185.13181	6.3
191.07004	8.2
191.14224	4.0
193.08614	14.4
193.12283	3.8
195.13860	3.5
199.14893	17.4
200.15176	6.1
201.12859	5.2
201.16409	8.1
203.14339	5.8
211.09669	21.2
215.10606	19.9
215.14273	4.4
216.11034	10.4
217.15871	30.1
225.08815	4.6
235.13319	13.2
237.14876	12.6
243.10211	5.2
245.99606	3.6
255.15907	5.4
257.19131	4.9
259.20587	3.9
261.11163	8.3
261.14432	3.6
261.21988	4.0
269.17429	10.9
275.20099	12.7
277.21475	3.4
311.09216	4.4
335.25833	48.9
336.26102	4.4
349.23663	7.7
409.23633	15.3
427.24838	12.8
429.22806	8.5
481.29318	6.5
485.25204	5.2
515.37018	10.3
529.38940	39.3
530.38733	5.1
551.32660	5.3
621.37555	5.0
645.37714	14.1
662.37238	14.2
663.38831	35.9
672.04486	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	663.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46198	0.5
55.05397	1.5
55.05683	0.8
55.31327	0.5
62.93930	0.5
65.03837	0.7
67.05370	2.6
69.03323	0.8
69.06939	1.6
70.32504	1.5
71.04896	0.5
79.05348	2.5
81.06914	3.1
82.07269	0.5
83.04858	1.1
83.08483	1.5
83.08944	0.6
84.22384	0.6
89.03798	0.9
91.05331	2.4
93.03294	0.7
93.06895	3.5
95.08455	4.6
97.06444	1.2
97.10029	1.0
105.06878	4.0
105.76043	0.5
107.04869	0.8
107.08430	4.6
109.06386	0.8
109.10012	2.1
111.04330	0.6
111.07963	0.9
117.03214	3.2
117.06938	0.9
119.08416	5.3
121.06366	0.5
121.09982	3.4
122.10296	0.5
123.08037	0.5
123.11581	1.1
125.05859	1.5
125.09535	1.0
131.04810	0.9
131.08409	2.1
133.06387	0.8
133.10120	3.5
135.04204	0.6
135.07970	1.0
135.11522	2.2
137.05989	3.5
143.08447	1.1
145.02849	7.0
145.06393	0.9
145.10118	3.3
147.11681	2.7
148.14993	0.5
149.05804	2.0
149.09541	1.0
149.13100	1.8
151.07428	1.1
153.05490	4.2
153.08968	0.8
157.09932	1.7
159.07976	0.8
159.11548	1.7
161.09480	1.0
161.13075	2.0
163.03607	0.5
163.07419	0.7
163.11124	0.7
163.14705	1.3
164.08200	2.0
169.10065	0.9
171.11575	0.8
171.64125	0.5
173.13112	1.9
175.14839	3.4
177.05466	16.3
177.16376	0.8
179.07037	3.9
183.11557	0.7
185.05771	4.5
185.13084	1.7
187.14719	2.1
189.11102	0.6
189.16382	4.7
195.06500	4.2
199.14694	1.7
201.12531	0.6
201.16223	1.5
205.08383	0.7
205.15736	1.7
213.16409	0.6
215.14256	0.8
217.15744	1.8
220.19511	0.5
220.22086	0.5
224.92720	0.6
227.17801	1.1
235.17033	0.6
253.19508	0.8
269.17416	0.5
270.17673	0.7
271.17740	0.6
279.23117	0.6
299.19974	0.6
334.11798	6.0
335.12515	94.6
336.12888	7.0
351.12030	100.0
352.12387	7.4
353.13647	2.3
376.15213	2.8
392.14700	1.9
394.99246	0.5
405.31528	1.4
407.29437	0.6
423.32626	2.9
424.33328	0.6
425.30612	1.6
439.32339	0.8
451.32013	4.0
464.31110	0.6
465.30746	0.9
466.31631	0.9
467.31720	1.6
469.33136	36.8
470.33478	2.4
485.32669	4.5
597.40332	0.7
663.25745	13.4
663.37305	3.3
664.26703	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05491	0.7
69.07055	0.9
69.21059	3.0
69.21474	0.9
78.75329	0.4
79.05508	0.5
89.99020	0.4
94.06586	0.8
95.08653	0.5
109.02861	0.5
122.06016	2.8
134.06035	0.5
135.06793	0.7
137.05954	0.6
140.07031	2.8
146.06017	1.3
148.07564	0.5
152.07069	3.8
153.01825	1.0
154.08662	1.6
162.12163	0.4
172.03923	2.6
174.05507	1.8
175.06264	0.6
176.07036	2.0
190.05028	1.0
194.08136	4.5
204.06564	1.2
206.08195	0.9
209.10782	0.7
211.12218	0.5
211.71437	0.4
212.09520	0.6
224.09341	0.8
225.10229	6.4
227.11783	1.1
234.11447	0.7
237.10234	2.7
238.10896	2.1
239.11766	3.0
240.12567	1.8
241.09677	0.9
241.13307	0.7
248.09433	0.5
249.10216	1.5
250.10942	0.8
251.08151	0.8
251.11852	2.8
252.08830	0.6
252.12556	1.0
253.09721	10.9
253.13335	1.3
254.10315	1.3
263.11774	2.5
264.08755	0.7
265.09723	7.3
265.12665	0.7
266.10449	4.2
267.11276	6.4
268.12018	1.0
269.09457	0.4
269.12848	1.8
271.10822	0.7
277.09805	2.6
278.10477	1.1
279.08319	0.7
279.11258	3.7
280.09293	0.7
280.11935	3.0
281.12811	2.7
282.10071	3.1
283.10779	2.8
283.14496	1.2
284.11502	2.1
285.12405	2.7
287.14020	2.3
290.10449	0.5
291.11371	1.6
292.11993	1.4
293.09207	23.2
293.12579	1.9
294.09970	22.8
294.12778	0.4
295.10748	14.1
295.14307	1.2
296.11200	1.5
297.12314	10.1
298.12994	1.1
299.13934	2.0
301.12067	0.8
307.10812	1.1
307.14444	1.1
308.11487	2.0
309.12323	42.6
310.12714	3.7
311.10309	0.7
311.13632	1.0
312.11032	5.0
312.14514	0.7
313.11780	8.3
313.15201	0.8
316.14426	1.5
323.10535	0.5
323.13910	1.6
324.11038	0.8
325.11871	3.3
326.12579	1.2
327.13385	18.5
328.13995	2.8
329.11395	0.8
329.15411	0.8
330.16006	1.1
331.12909	1.0
331.16779	1.2
335.10370	1.3
335.47830	0.5
336.10919	1.4
337.08041	0.5
337.11874	1.6
339.13379	10.0
340.14191	2.7
341.15027	2.6
343.13034	0.6
344.17590	0.9
345.14474	1.2
351.13391	12.7
352.13721	0.6
353.11322	2.7
354.12076	2.6
356.13950	1.2
357.14523	1.0
358.15427	2.0
367.12930	9.2
368.13623	2.0
369.14447	100.0
370.14819	8.8
372.17203	0.9
382.11682	0.6
384.13272	2.2
385.14029	1.5
386.14914	0.8
390.17960	0.9
398.14871	2.8
399.15634	5.5
400.16568	7.2
401.17068	34.4
402.17712	3.4
414.18021	0.9
416.15979	0.6
417.16998	1.3
418.17535	1.9
440.16058	0.8
458.17126	7.4
459.17871	4.3
460.18304	1.5
468.21097	2.4
476.18369	0.6
490.19739	1.6
491.20239	1.0
508.20804	26.3
509.21487	20.3
510.22083	2.3
526.21942	0.7
540.23395	10.1
541.23962	4.2
555.25452	0.5
557.23444	0.7
581.23889	2.0
599.25000	27.2
600.25476	3.5
631.27490	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	663.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.3
55.05511	3.4
65.03951	1.4
67.05485	3.1
67.20853	1.1
69.03435	2.1
69.07077	6.9
71.04991	2.3
79.05497	2.6
81.03434	2.6
81.07063	7.4
83.04996	2.3
83.08619	1.2
85.02942	1.4
86.09738	1.4
91.05485	2.7
93.07050	4.6
94.06566	2.4
95.04959	1.9
95.08624	5.6
97.02885	2.4
97.06548	3.1
97.10189	3.0
103.05473	1.5
105.07029	5.8
107.04917	1.3
107.08598	4.1
109.02894	2.4
109.06546	1.5
109.10146	2.2
113.06000	1.2
117.06979	1.4
119.08585	3.2
121.06515	2.3
121.10146	4.9
122.06042	3.1
123.04379	2.6
123.11706	3.1
124.99962	1.4
131.08655	1.3
133.10107	3.8
135.11696	1.9
136.07599	3.5
137.05989	9.0
139.03893	2.7
139.11188	1.6
140.07079	8.6
143.08568	1.5
145.10149	3.4
145.61700	1.4
146.05943	1.8
146.09660	2.3
147.04390	2.3
147.08098	1.3
149.09669	1.1
149.49402	1.1
151.03908	3.6
151.07521	1.7
151.11270	1.2
153.01842	5.7
158.14529	1.3
159.11761	1.7
161.05992	2.2
162.05553	1.4
163.07579	1.7
164.07040	3.2
164.08289	1.5
165.09044	1.8
167.06992	2.3
172.03918	3.9
173.13213	2.0
174.05516	1.5
177.05534	2.1
177.09157	2.5
181.04933	1.9
184.07355	3.5
203.10745	2.2
204.06526	6.5
206.08200	4.6
219.06584	1.2
221.11694	5.2
222.11725	3.6
235.12402	1.8
236.09303	4.7
237.10271	3.5
237.13847	2.7
238.11121	1.4
247.08656	2.6
248.09416	6.1
249.10208	18.4
250.11034	5.5
251.11740	6.1
252.12445	1.6
253.09860	1.8
261.10248	4.5
262.11179	6.5
263.11801	78.5
264.09537	1.7
264.12445	15.6
265.09540	1.6
265.13486	6.7
267.11435	1.6
275.08057	2.9
276.08600	1.4
277.09711	17.7
278.10315	2.0
279.11288	31.2
280.11743	2.6
281.12888	7.3
282.13660	7.4
282.32620	1.4
283.14139	1.8
289.09824	2.9
290.10370	4.4
291.11276	30.8
292.11990	7.6
293.09451	2.2
293.12750	6.1
294.10098	1.8
295.10834	14.7
295.14151	1.8
296.11444	3.5
297.12241	2.1
302.12814	1.4
303.07687	3.1
307.10754	8.7
308.11441	2.7
309.12308	58.9
310.12900	7.4
311.13919	3.4
313.11676	3.4
318.10080	4.4
319.10791	3.1
323.13910	49.8
324.14404	6.4
326.12234	1.5
327.13412	2.0
335.10214	5.2
336.11029	36.5
337.11755	22.3
338.12286	6.6
339.13422	5.8
341.14993	13.9
343.13034	1.4
345.14597	5.7
349.11832	1.3
351.13342	4.2
356.13693	1.4
357.14539	1.7
367.08578	2.3
367.12888	31.1
368.08951	1.7
368.13638	43.0
369.14438	100.0
370.15179	15.3
399.15744	6.6
401.16882	2.5
444.82736	1.3
458.16965	2.1
459.17474	1.5
460.18420	1.4
465.29056	1.4
476.17941	4.5
478.19687	15.1
479.20102	2.6
490.19577	6.3
491.20529	5.8
501.31943	1.4
508.20782	84.3
509.21060	14.9
510.22342	24.2
511.22504	3.4
522.21991	2.0
540.23413	62.2
541.23718	8.9
599.24939	12.7
600.25153	2.0
631.27704	8.8
632.27234	2.3
645.85229	1.6
663.32599	12.7
664.33093	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	663.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.6
57.03443	0.4
67.05504	2.6
68.93993	0.4
69.03429	0.5
69.07067	1.0
70.26255	0.9
71.05004	0.5
79.05485	1.5
80.05825	0.3
81.03399	1.0
81.07060	2.5
83.04988	0.5
85.02922	0.7
85.06552	0.4
86.09689	0.9
89.72260	0.4
91.05488	1.6
93.07055	1.9
95.04993	0.6
95.08610	1.3
97.02905	0.6
97.06548	0.5
99.04443	0.3
103.05440	0.3
105.07024	1.4
107.04957	0.6
107.08578	1.2
109.06525	0.4
109.10149	1.2
119.08578	1.2
121.06480	0.4
121.10141	1.2
123.08108	0.5
125.09606	0.3
131.08575	0.8
133.10066	0.7
134.10510	0.4
135.04346	0.4
135.08012	0.5
135.11678	1.0
137.06020	0.6
147.04396	0.6
147.11690	0.4
148.11014	0.4
149.05988	0.5
151.03915	0.9
153.01808	0.5
157.10136	0.4
159.11613	0.4
163.03999	0.5
163.11105	0.5
170.66249	0.4
179.06955	0.5
184.07335	1.5
185.04195	0.5
203.05226	0.5
207.39166	0.3
243.08394	0.7
255.15819	0.6
258.68237	0.4
301.14456	0.4
308.32825	0.4
310.94040	0.3
385.96909	0.4
402.05963	0.3
413.17896	0.4
427.24539	0.5
429.54706	0.3
439.48956	0.4
445.25635	1.4
448.27774	0.8
465.28296	0.3
466.28839	1.5
494.04636	0.4
501.27606	2.1
611.76544	0.3
635.33911	0.5
663.33405	100.0
664.33771	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	663.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
55.01879	0.6
55.05513	2.7
57.03430	1.6
57.07072	0.7
61.02930	5.8
67.05503	5.1
69.03425	3.0
69.07076	2.2
69.29963	1.1
69.30376	2.2
71.01334	0.5
71.04999	0.8
73.02907	4.0
79.05489	4.3
81.03411	6.8
81.07056	6.8
83.04992	1.4
83.08625	4.3
85.02908	5.4
85.06548	0.6
87.04448	0.6
89.03929	1.5
91.03954	3.0
91.05479	4.3
93.07038	5.5
95.04979	2.1
95.08602	5.4
97.02891	4.4
97.06554	0.8
99.04438	1.0
101.02370	2.4
105.07038	4.5
107.04969	0.7
107.08598	5.5
109.02901	1.1
109.06541	0.7
109.10167	2.8
111.08093	1.0
115.03967	0.6
115.37807	0.4
117.03392	3.2
117.07026	1.1
118.86805	0.4
119.08593	5.2
121.06491	1.1
121.10164	3.9
123.11701	1.2
125.06020	0.7
125.09567	0.9
127.03917	1.6
129.07036	1.6
131.08588	3.4
133.10106	3.6
135.11719	2.1
137.05962	0.6
137.09619	0.7
137.13234	0.5
142.07782	0.9
143.08604	1.3
145.02834	10.1
145.05038	0.4
145.10143	3.4
147.04381	0.5
147.10719	0.4
147.11685	2.3
149.06012	1.7
149.09677	1.3
149.13266	2.7
151.07510	0.5
153.05496	0.8
157.10141	2.6
159.11671	3.1
161.13284	1.3
163.03877	0.8
163.11227	0.6
163.14868	0.7
165.46899	0.5
169.10234	0.8
171.11699	1.0
173.13290	1.3
173.54256	0.4
175.11172	1.2
175.14850	1.8
175.51860	0.5
177.05479	18.1
177.16357	0.7
178.05801	0.8
183.11658	0.7
185.13293	1.8
187.14839	1.6
189.16411	1.5
193.12242	1.8
195.06540	4.0
197.13365	0.8
199.14848	1.9
201.16444	2.1
203.14398	0.5
203.18045	0.6
209.21965	0.5
211.14911	1.0
213.16364	1.1
215.14359	0.5
215.17892	0.5
229.15868	0.6
235.13130	1.5
243.08455	2.1
245.15486	0.7
267.15948	1.6
358.23947	0.5
405.31589	1.2
423.32529	0.9
425.30597	1.1
451.19467	7.7
451.25613	0.9
451.31912	2.3
452.19775	0.8
453.20966	7.2
454.21237	0.7
469.33163	0.8
594.69781	0.5
595.41498	0.5
645.34106	0.5
663.33417	100.0
664.23712	1.0
664.33923	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	663.3891
Annotation	Yungensin E
Peak:m/z	Relative Intensity
55.05501	2.0
61.02906	1.0
63.71812	0.8
65.03927	1.3
67.05511	3.9
68.99780	2.3
69.07066	2.5
69.49375	2.6
69.49787	1.9
71.04989	0.8
79.05497	4.2
81.07057	5.7
82.07372	0.9
83.04993	0.9
83.08613	2.2
85.02895	1.1
89.03932	0.9
90.02563	0.8
91.05468	2.9
92.13994	0.7
93.07038	4.6
95.04958	1.9
95.08611	4.7
96.05551	0.7
105.07059	3.6
107.08595	4.3
109.06530	1.0
109.10175	1.6
110.03691	0.9
117.03375	1.4
119.08587	4.9
121.10125	4.1
123.08070	1.0
123.11703	0.9
125.05991	3.2
129.07040	0.7
131.08572	2.0
133.10138	3.4
135.11664	3.3
140.74104	0.8
145.02859	4.4
145.10100	3.6
147.04398	1.4
147.11668	3.0
149.13269	0.8
151.03902	100.0
152.04265	3.8
153.09047	0.8
157.10168	1.0
159.11702	2.5
161.13242	1.1
163.14847	0.9
171.11717	1.2
173.13237	1.5
175.14799	2.7
177.05476	10.6
177.09483	0.7
177.16383	1.7
185.13245	1.1
187.14856	2.0
189.16403	2.8
193.04996	3.1
195.06500	1.2
199.14751	1.3
201.16455	2.9
203.17978	1.1
211.06006	29.2
212.06430	1.9
213.16359	1.2
215.18016	0.9
233.15298	0.7
297.24545	1.0
405.31458	0.9
423.32474	1.2
435.32629	3.5
451.32047	1.8
454.47333	0.8
469.33194	3.7
470.33627	1.0
663.41498	12.2
664.41498	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	663.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	3.6
64.06048	1.2
66.13110	1.1
67.05503	6.9
69.07068	2.9
71.33524	1.0
79.05493	4.8
79.75857	1.0
81.07053	11.7
83.04966	2.3
83.08624	2.4
89.03902	7.8
89.87666	0.9
91.05474	8.5
93.07034	10.4
95.04955	2.7
95.08605	14.4
105.07030	15.1
107.07895	1.8
107.08578	13.5
108.08974	1.1
109.06519	2.3
109.10175	4.6
117.03364	17.9
117.07024	3.6
119.08571	19.3
121.06532	1.4
121.10145	10.1
123.08019	1.5
123.11736	3.0
129.07001	1.3
131.08545	9.8
133.10114	13.8
134.03703	1.6
135.04414	3.0
135.08011	1.3
135.11732	1.3
142.07828	1.8
143.08568	5.7
144.09314	1.3
145.02838	47.0
145.10110	16.8
146.03151	2.4
147.11656	5.8
149.05966	7.0
149.13301	3.1
156.09337	1.7
157.10100	6.9
159.11694	11.5
161.09583	1.5
161.13234	4.1
163.03938	2.3
163.14793	5.1
165.12799	2.1
169.10136	3.1
171.11723	4.8
172.12267	1.3
173.13252	13.9
175.14824	8.2
177.05460	100.0
177.16385	2.7
177.34972	1.2
178.05807	3.4
183.11751	2.7
185.13292	5.5
187.14798	15.6
189.16368	11.2
189.62970	1.1
191.14288	1.4
191.17885	1.8
195.06548	6.5
195.11581	1.8
196.06937	1.1
197.13278	3.0
199.14819	5.8
201.16393	10.5
203.14282	6.1
203.17989	4.6
205.15984	2.2
209.13377	1.4
211.14923	2.6
213.16382	4.2
215.14409	1.4
215.17947	1.1
217.15881	4.3
221.13478	1.1
221.15303	5.6
223.14760	1.4
225.16360	2.0
229.15952	1.6
235.16928	4.1
239.18028	1.7
241.19566	2.8
247.16861	7.2
253.19536	1.4
369.27512	1.1
387.30554	2.3
405.31464	13.0
406.31686	2.0
407.33075	1.6
421.30896	1.6
423.32532	3.0
433.30920	4.3
441.33069	1.3
451.32236	7.9
452.32370	1.7
578.87683	1.2
663.40033	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	663.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.5
55.01878	0.5
55.05503	2.2
57.03405	0.3
58.10062	0.4
63.02384	0.6
65.03931	0.7
67.05495	3.9
69.03442	0.5
69.07072	2.1
69.22080	0.8
69.22491	2.4
71.04993	0.5
77.43537	0.3
77.58665	0.4
78.04720	0.5
79.05486	3.0
80.51706	0.3
81.07050	6.9
83.04984	1.5
83.08622	1.1
85.02911	0.7
89.03914	8.1
91.05470	4.1
93.07030	6.6
95.04960	0.7
95.08604	7.3
96.08913	0.5
97.06535	0.6
97.10213	0.5
98.03232	0.4
98.22591	0.7
103.05425	0.4
105.07037	7.3
106.04179	0.5
107.08580	11.0
109.06519	1.5
109.10139	4.5
111.08092	0.8
117.03372	20.3
117.07010	1.4
118.03739	0.8
119.08576	10.5
120.48174	0.3
121.10139	6.3
123.08060	1.0
123.11697	1.9
125.09632	0.8
129.06998	1.3
130.55382	0.4
131.08577	3.6
133.10127	4.8
134.03583	1.8
135.04387	1.6
135.11676	2.6
137.09636	0.8
137.13266	0.8
141.06950	0.6
142.07738	0.6
143.08534	2.8
144.09258	0.5
145.02837	51.1
145.10109	8.5
146.03244	2.1
147.04413	0.5
147.11676	4.7
149.05968	7.1
149.09615	0.4
149.13235	3.4
150.13557	0.3
151.11176	0.7
154.35643	0.4
155.08577	1.1
155.64235	0.5
157.10112	3.6
158.10843	0.6
159.11693	3.7
161.09665	0.5
161.13281	2.1
163.03899	2.0
163.14801	4.7
164.15230	0.6
165.12778	2.1
169.10107	1.9
171.11674	4.1
173.13274	4.0
175.11153	0.5
175.14824	4.9
177.05455	100.0
177.16399	1.5
178.05809	4.0
183.11642	1.5
185.13232	2.4
186.05489	1.4
187.14793	6.0
189.12750	0.5
189.16414	2.0
191.14252	0.7
193.15819	0.4
195.06516	7.2
195.11726	0.6
197.13199	1.2
199.14757	3.9
201.16380	4.2
203.17915	1.1
205.15895	0.8
209.13235	0.7
210.44736	0.5
211.14749	1.0
213.16354	5.6
214.16736	0.5
215.17934	2.0
217.15794	1.0
223.14822	0.6
225.16478	2.0
227.17941	1.5
229.15845	0.6
229.19586	0.8
231.13736	0.4
231.17487	1.0
237.16341	1.1
239.17961	2.2
241.19485	8.5
242.19778	0.7
243.21075	1.9
245.15323	0.9
245.18983	0.4
251.18007	0.9
252.18385	0.4
253.19595	2.1
255.21037	1.4
259.16846	1.2
259.20490	0.7
261.16257	0.5
263.17773	0.4
265.19397	1.0
267.21030	1.9
279.20996	0.5
285.18402	0.5
287.19937	0.5
291.20831	0.4
299.20096	0.6
331.23947	0.4
333.25681	0.4
339.32608	0.3
347.27063	0.9
349.24988	0.8
352.27487	0.4
387.30313	1.8
389.31723	0.8
393.27606	1.9
405.31467	11.8
406.31979	1.9
407.33136	5.2
408.33319	0.7
423.32510	1.1
433.31131	1.7
441.33624	2.0
451.32047	9.4
452.32169	1.3
663.31964	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3881
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	0.3
55.05505	1.9
57.07055	0.9
67.05506	1.9
69.07078	1.9
69.26070	1.4
69.26488	1.0
71.04979	0.4
72.76260	0.3
79.05486	2.1
79.72375	0.3
81.07053	3.9
83.04976	1.2
83.08630	2.1
83.66531	0.3
85.06548	0.4
89.03902	3.3
91.05471	2.2
93.07037	4.0
95.04960	0.8
95.08601	7.1
96.08928	0.3
97.10181	0.7
105.07022	8.0
107.04949	0.4
107.08591	7.4
109.06492	0.8
109.10138	4.0
111.08070	0.4
113.87299	0.3
117.03371	7.9
117.07030	0.9
119.08579	9.2
120.08881	0.3
121.06473	0.6
121.10141	7.2
123.08078	0.5
123.11706	1.6
128.06221	0.5
129.06966	0.7
131.08583	3.1
133.10115	7.0
134.03667	0.7
134.10406	0.4
135.04391	0.8
135.08041	1.1
135.11700	3.5
137.09645	0.5
137.13213	0.7
143.08545	2.1
145.02840	17.1
145.10123	5.2
146.03183	0.9
146.10478	0.5
147.08061	1.0
147.11658	4.4
149.05968	3.2
149.09636	0.9
149.13251	2.9
151.11136	0.7
153.09143	0.6
155.08591	1.0
157.10127	2.7
158.10828	0.4
159.08064	0.8
159.11678	3.1
161.09602	0.9
161.13268	3.4
163.03951	0.6
163.11121	0.5
163.14810	3.2
169.10100	1.3
171.11716	2.2
173.09689	0.7
173.13222	3.4
175.11185	0.4
175.14812	7.2
176.15082	0.4
177.05464	35.4
177.12752	0.4
177.15089	0.3
177.16325	1.7
178.05772	1.7
181.10289	0.4
183.11702	1.1
185.13258	1.4
186.05478	0.4
187.11198	0.5
187.14809	4.9
188.15225	0.4
189.12746	0.9
189.16382	12.6
190.16798	0.5
191.14267	0.8
191.17952	0.4
193.15877	0.4
195.06541	3.5
195.11685	0.4
197.13284	1.7
199.14818	3.1
201.16389	1.3
203.14310	0.8
203.17969	0.8
205.15848	4.7
207.17487	0.4
207.85941	0.3
209.13284	0.5
211.14853	1.0
213.16400	1.4
215.14250	2.4
215.17842	0.4
217.15837	5.1
219.13870	0.6
223.14908	0.6
225.16418	1.0
227.14439	0.4
227.17937	1.3
229.15894	0.7
229.19615	0.5
233.15396	2.3
235.14926	0.5
235.16977	1.4
237.16483	0.4
239.17929	0.5
241.19562	0.8
243.17398	1.5
253.19542	1.1
257.19052	0.5
263.18188	0.4
267.21103	0.6
271.16995	0.3
271.20532	1.6
273.18448	0.8
285.18631	0.4
289.17941	1.1
297.22293	0.5
299.19992	0.4
311.23746	0.4
323.23749	0.4
326.04712	0.5
340.02536	1.0
344.05646	1.8
351.05273	0.7
358.03494	0.6
362.07138	0.4
368.01843	0.8
369.06613	1.2
372.05249	1.6
379.29846	0.8
387.07455	8.8
387.12189	0.6
388.07870	0.8
395.25797	0.4
405.08749	1.7
405.31366	2.7
406.31458	0.5
407.29254	0.9
423.32605	10.3
424.32916	1.5
425.30707	2.3
430.63763	0.3
433.30978	1.0
451.32028	11.7
452.32510	1.2
469.33118	100.0
470.33466	13.4
663.15399	3.3
663.40894	2.3
664.15588	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
55.05500	1.7
57.07065	1.6
67.05503	3.9
69.03432	0.6
69.07066	4.3
69.48830	1.8
71.04990	0.8
73.90726	0.4
79.05488	3.3
81.03394	0.5
81.07060	4.9
83.01325	0.5
83.08623	0.8
87.04452	1.3
91.05475	5.5
93.07040	5.8
95.04958	1.0
95.08607	5.0
97.06533	2.5
103.05456	0.7
105.07027	11.9
107.08598	5.0
109.06515	0.6
109.10180	4.8
111.08043	0.7
115.05446	0.8
116.06237	0.4
117.07017	6.4
119.06107	0.4
119.08581	8.0
120.08852	0.5
121.06506	0.8
121.10147	4.5
123.04407	0.4
123.08058	1.4
123.11691	1.7
125.05975	0.4
128.06221	0.9
129.06989	1.7
130.07793	2.5
131.08566	12.0
133.10132	4.5
135.08060	1.1
135.11653	1.0
137.05972	0.6
137.09604	1.2
139.07481	0.5
139.11168	3.3
141.07027	0.5
142.07774	0.9
143.08554	4.1
144.09280	1.5
145.10121	33.4
146.10512	1.4
147.07997	0.7
147.11707	2.7
149.09616	1.1
149.13231	0.8
150.10391	0.6
151.07494	0.8
151.11209	0.5
153.05464	1.3
153.09100	0.5
155.08630	0.5
156.09264	0.9
157.10123	3.7
158.10881	1.3
159.11690	12.8
160.12054	0.9
161.09633	1.2
161.13277	1.0
163.07489	0.5
167.10686	1.9
171.08086	0.6
171.11693	1.2
173.13208	3.1
175.11205	1.0
175.14859	1.8
177.09070	0.4
179.07011	1.0
181.08632	0.7
181.10114	0.5
183.11806	0.7
185.13393	0.8
186.14032	0.5
187.14760	0.7
189.16275	0.5
191.07071	0.5
191.14360	0.9
193.08633	0.8
195.45657	0.4
197.08153	2.0
199.11215	0.7
199.14819	6.0
201.16379	100.0
202.16740	6.5
203.17993	3.6
203.82469	0.4
207.78719	0.4
209.15372	1.3
211.09633	1.2
217.15842	3.5
219.17390	1.4
229.16032	0.5
235.13200	0.6
237.14854	11.2
238.14964	0.6
265.14368	2.9
269.18896	0.9
296.91702	0.5
311.20242	0.5
323.80017	0.4
339.19583	0.7
363.23178	1.1
379.22726	1.0
381.24371	3.8
385.16348	0.8
399.25406	0.6
409.24097	0.4
425.19760	1.0
427.25269	0.7
461.21481	0.5
514.09961	0.4
567.30756	0.6
575.32849	0.6
585.31689	1.5
603.32458	0.6
627.36530	1.2
645.37396	1.7
655.63116	0.4
663.38336	3.2
664.39325	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3887
Annotation	Yungensin E
Peak:m/z	Relative Intensity
53.03939	0.9
55.05511	1.9
57.07081	0.4
61.07424	0.3
63.02361	0.7
67.05504	2.7
69.03419	0.6
69.07065	2.1
69.36751	1.4
69.37154	0.8
78.04682	0.5
79.05494	4.1
81.07052	8.3
83.04981	1.7
83.08591	1.2
89.03905	8.1
91.05473	4.6
93.07037	6.6
95.04964	1.3
95.08598	7.6
95.91788	0.3
97.06532	0.5
97.10171	0.7
103.05474	0.7
105.07018	8.2
106.04165	0.4
107.08585	7.7
109.06495	2.2
109.10139	5.2
111.08089	1.2
115.45428	0.3
117.03375	18.1
117.07015	1.5
118.03738	0.5
119.08569	10.4
120.08885	0.4
121.06552	0.5
121.10135	6.7
123.08049	0.6
123.11675	2.6
125.09605	2.4
127.07558	1.7
129.06958	0.7
131.08557	5.2
133.10126	6.8
134.03622	1.2
135.04448	1.7
135.08138	0.5
135.11681	2.9
136.95761	0.4
137.09560	0.5
141.07019	0.5
142.07721	0.8
143.08539	3.2
145.02835	46.5
145.10110	7.2
146.03166	2.0
146.10402	0.4
147.11682	3.8
149.05968	7.8
149.13240	1.9
151.07555	0.4
151.11177	1.3
155.08508	0.9
156.09323	0.6
157.10117	4.0
158.10838	0.4
159.11687	6.5
161.13234	4.0
163.03891	1.8
163.07481	0.4
163.11165	0.7
163.14793	1.5
169.10120	2.1
170.10876	1.0
171.11659	3.6
172.12236	0.5
173.13251	4.7
175.14801	3.1
177.05457	100.0
177.16336	1.0
178.05815	4.4
181.10124	0.6
182.10907	0.5
183.11589	1.9
184.12401	0.6
185.13254	6.8
186.05490	1.3
186.13593	0.4
187.14810	6.3
188.15152	0.7
189.16338	2.0
191.14272	1.4
191.17952	0.4
193.15921	0.7
195.06509	7.2
195.11641	0.8
197.13287	2.6
199.14798	5.5
200.15247	0.4
201.12665	0.4
201.16345	6.4
203.17920	0.8
205.15857	1.4
206.16132	0.4
209.13188	1.0
211.14777	2.5
213.12878	0.3
213.16360	6.1
215.14299	1.0
215.17908	1.4
217.15843	1.3
219.17412	3.1
223.14714	0.8
227.17912	0.5
231.13760	0.5
231.17400	0.7
233.15352	0.8
237.16289	0.7
239.17921	1.3
241.19397	0.9
245.15346	0.8
251.17754	0.5
253.19492	0.9
259.16754	1.8
265.19394	0.6
267.20999	1.3
281.22626	0.4
283.20444	0.5
291.21039	0.5
299.62292	0.4
307.24316	0.4
379.10825	0.4
387.30234	1.0
393.27451	0.6
405.31491	7.7
406.31635	1.0
407.32806	0.8
415.29947	0.5
423.32391	0.4
433.30890	3.4
434.31488	0.5
451.32053	5.5
452.32120	0.9
663.36127	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	5.7
55.31408	1.1
57.07046	1.3
64.14407	1.1
66.02831	1.0
67.05499	7.7
69.07065	5.3
70.34131	3.2
70.34473	1.1
71.05004	2.4
79.05503	7.0
81.03455	1.2
81.07060	10.3
83.04986	3.1
83.08616	2.8
89.03941	4.9
91.05464	6.6
93.07047	9.8
95.04955	2.6
95.08607	13.1
97.06554	1.7
105.07026	16.0
107.08595	14.2
109.06507	1.3
109.10156	9.9
111.04421	1.2
111.08050	1.5
114.39018	1.1
117.03377	8.4
117.06986	1.7
119.08579	18.3
121.10155	12.2
121.86052	1.1
123.08051	2.8
123.11718	3.7
125.06038	2.0
125.09634	2.3
129.07037	2.0
130.73242	1.1
131.08568	4.2
133.10126	12.1
135.11697	7.8
137.05992	4.9
137.09648	1.8
137.13211	1.6
143.08578	3.6
145.02853	21.6
145.10115	10.3
145.37695	1.2
147.04434	1.7
147.11688	5.2
149.06007	3.3
149.09610	1.4
149.13269	4.3
151.03952	2.1
151.11221	2.3
153.05455	6.9
157.10156	5.0
159.11707	5.1
161.09645	2.0
161.13268	5.2
163.14830	3.2
169.10129	2.0
171.11713	2.7
173.13290	5.7
175.11201	2.7
175.14809	10.4
177.05473	35.9
177.16475	3.3
179.07042	7.6
183.11714	2.1
185.13264	3.2
187.11053	1.4
187.14783	7.2
189.16376	17.0
193.16003	1.5
195.06523	8.0
197.13321	2.7
199.14726	5.7
201.16422	3.5
203.18039	1.8
205.15916	6.3
209.04132	1.3
211.14935	1.6
213.16325	2.2
215.14371	3.9
217.15877	8.2
225.16505	1.7
227.17964	2.6
229.15813	1.6
233.15402	3.7
235.16760	1.6
239.18098	1.8
241.19507	1.3
271.20709	1.6
273.18427	2.0
345.90479	1.4
405.31485	4.1
410.07629	1.5
423.32568	14.6
424.32791	1.5
425.30362	2.8
433.31677	1.3
451.31952	9.9
469.33130	100.0
470.33447	13.3
601.07440	1.2
663.24725	2.1
663.41705	13.7
664.39142	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	663.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.05516	3.2
57.03402	0.6
57.07079	1.1
59.51260	0.6
59.77101	0.6
61.02925	1.5
67.05499	3.6
68.37016	0.6
69.03437	1.4
69.07072	4.0
71.04987	0.7
79.05502	3.4
81.03423	1.0
81.07063	7.1
83.04977	1.4
83.08626	3.6
85.02904	2.3
85.06561	0.7
87.04503	0.6
89.03920	3.9
91.03973	1.1
91.05472	4.1
91.82993	0.7
93.07059	7.2
94.26942	0.5
95.04967	1.7
95.08610	11.2
96.08940	0.7
97.02909	1.7
97.06543	1.1
97.10155	0.8
98.22536	1.4
105.07029	8.2
107.08600	11.4
107.09260	1.0
109.06544	1.4
109.10157	5.0
111.08081	1.1
117.03373	8.5
117.07028	1.6
119.08578	11.7
121.06508	1.5
121.10152	9.4
123.08035	1.2
123.11711	2.8
125.09520	0.6
129.07063	1.1
131.08566	3.5
133.10120	8.5
135.04404	0.9
135.08075	1.8
135.11685	5.9
137.05959	0.9
137.13269	0.7
139.07550	0.9
141.45253	0.6
141.72185	0.6
143.08580	1.4
145.02847	20.0
145.04849	0.9
145.10117	9.1
145.79579	0.6
147.04401	1.2
147.08087	0.9
147.11703	4.5
149.05975	2.6
149.09608	1.4
149.13242	3.1
153.09093	0.8
155.08588	1.1
157.10129	3.3
159.08107	0.7
159.11710	4.8
161.09630	1.7
161.13234	3.7
163.03995	0.8
163.07538	1.0
163.11133	0.7
163.14751	2.8
169.10149	1.4
170.10896	0.8
171.11668	2.3
173.09680	1.2
173.13283	4.6
174.14175	0.6
175.11206	0.9
175.14816	5.9
177.05476	37.3
177.12712	0.9
177.16440	1.6
178.05830	1.4
181.09929	0.6
183.11763	1.3
185.13278	1.7
187.11189	0.9
187.14822	5.0
189.12761	1.6
189.16408	7.6
191.17908	1.1
195.06558	3.2
197.13292	1.6
199.14835	2.7
201.12811	1.1
201.16400	1.3
203.14311	1.1
205.15854	3.5
211.14786	1.3
213.16434	1.7
215.14357	2.4
215.17993	1.0
217.15904	2.8
219.13867	0.9
223.14830	0.7
225.16478	0.7
227.17976	1.7
229.19643	0.7
231.17427	0.8
233.15347	3.0
235.16864	0.7
239.18123	0.8
241.19553	1.1
243.17508	1.0
253.19620	0.9
257.19003	0.8
265.19620	0.7
267.21030	0.8
271.20737	0.7
273.18436	0.8
289.18039	1.5
295.20551	0.7
339.29065	1.3
343.22598	1.1
369.24313	0.7
379.29984	0.7
405.31631	3.0
407.29501	1.1
417.14902	0.6
423.32635	7.3
424.32858	1.3
425.30652	2.9
433.30988	1.3
451.32065	12.1
452.32227	1.9
469.33130	100.0
470.33557	14.0
596.17194	0.6
651.79114	0.7
663.27063	1.4
663.41443	4.1
664.40253	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.4527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.4
54.75038	0.4
57.07071	49.5
57.07336	2.3
57.07465	1.8
58.07379	0.9
64.69580	0.4
68.82113	0.4
69.34580	0.4
70.54523	0.8
70.54862	0.8
77.03590	0.5
77.03956	0.9
80.42634	0.5
81.07021	0.6
87.04443	0.8
91.05474	6.9
93.06996	0.4
95.04934	0.4
105.07028	1.9
107.08536	0.4
112.37838	0.4
117.06957	0.7
119.08546	1.0
132.09280	1.0
142.51555	0.4
147.11662	7.6
152.06186	1.0
153.06966	3.6
171.08009	0.6
175.01491	0.5
228.09337	0.5
229.10020	1.0
233.03603	4.7
234.03842	0.5
251.04640	16.0
252.04999	1.0
277.25949	0.5
307.10724	2.5
309.06781	0.7
327.07761	100.0
328.08109	7.1
383.14023	78.8
384.14294	6.7
439.20303	69.6
440.20590	7.9
474.40445	0.4
495.26544	76.0
496.26883	10.3
551.32776	94.6
552.33124	16.4
607.39020	56.1
608.39459	9.9
663.45306	11.4
664.45789	2.0
683.27991	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.3
50.42503	0.1
51.02380	0.5
51.12061	0.1
51.73079	0.1
51.94788	0.1
53.03933	0.2
54.44456	0.1
55.01868	0.1
58.46414	0.1
63.85757	0.1
64.10692	0.1
69.03425	0.6
69.72619	0.5
79.01849	3.4
81.03413	1.3
85.02911	0.2
97.02880	1.4
98.23380	0.1
99.04450	0.2
104.43472	0.1
107.01319	0.9
109.02867	1.6
112.32119	0.1
123.00777	0.2
125.02343	1.9
127.03910	1.3
136.06198	0.4
143.02251	0.2
143.03392	4.9
153.01820	100.0
153.02863	4.6
154.02164	2.8
154.03374	0.2
159.04385	0.2
163.03851	0.2
171.02867	2.5
177.05493	0.2
179.06909	0.1
181.01315	0.3
191.03452	0.1
195.02933	0.1
205.04961	0.3
207.02942	0.2
215.03352	0.3
217.04968	0.2
233.04477	0.8
234.04660	0.1
237.04019	0.1
243.02892	0.3
261.03931	1.2
279.04968	1.3
297.06033	4.4
298.06342	0.2
315.07025	0.5
449.07040	0.4
467.08203	4.6
468.08429	0.4
592.09027	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	664.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.7
55.01881	3.2
55.05510	4.8
65.03947	1.6
67.05499	14.7
68.20542	1.1
69.03432	12.0
69.07067	6.3
71.04993	3.0
77.03938	1.2
79.05481	8.7
81.03416	15.5
81.07053	14.5
82.03745	1.2
83.04981	5.9
83.08621	2.5
85.02914	5.6
85.06526	2.8
86.09722	1.4
91.05473	8.7
93.07030	11.3
95.04973	6.1
95.08607	11.9
97.02890	6.5
97.06524	3.4
98.22579	4.0
99.00708	1.1
99.04449	3.1
99.08153	1.6
103.05466	5.6
105.07037	15.3
107.04949	4.4
107.08593	8.1
109.02882	6.1
109.06504	5.7
109.10155	29.6
110.10574	1.2
111.04438	4.5
115.05463	10.3
115.74207	1.2
117.07021	2.3
119.04996	1.2
119.08581	5.2
121.06509	3.4
121.10141	7.8
122.03632	1.5
123.04461	3.6
123.11760	1.6
125.06004	1.9
125.09683	1.6
127.03922	7.6
129.07027	1.8
131.04941	4.4
131.08585	3.6
133.06520	7.9
133.10132	4.4
135.04379	2.3
135.08054	4.5
135.11674	4.1
137.05992	25.0
137.09613	54.3
138.06346	1.7
139.03908	5.1
143.04919	1.6
145.04990	1.5
145.06519	2.0
145.10135	4.5
146.06032	6.9
146.07028	1.3
147.08023	1.7
147.11667	2.9
149.05986	3.2
149.09619	2.4
151.03923	9.1
151.07549	7.9
153.01842	3.2
155.10632	1.8
157.05017	1.5
159.11699	2.3
161.05974	42.1
161.13245	2.3
162.05420	2.5
163.04086	1.4
163.07526	5.5
163.11247	1.8
164.08302	2.0
165.09120	19.6
171.11685	2.3
173.13210	2.5
175.07571	2.5
179.08560	4.1
181.08548	2.0
183.10132	1.2
184.07339	2.2
187.07571	1.4
189.09119	1.7
191.07054	1.5
196.08859	1.4
197.09544	2.3
199.07573	3.4
201.05377	1.7
203.07011	1.5
203.10675	2.8
205.12285	2.5
207.08047	4.9
208.08798	1.5
211.07518	3.1
215.07271	1.4
224.08296	5.3
225.09053	4.9
228.86787	1.9
235.07524	10.9
236.96335	1.2
239.10728	4.5
241.12488	1.4
251.10515	1.4
252.07822	3.7
253.08560	3.6
263.11731	2.2
264.12164	2.1
267.10196	11.6
269.11829	2.4
273.11340	1.6
280.11877	1.6
285.11200	100.0
286.11526	4.6
287.12830	1.7
305.25104	1.6
309.13147	1.7
319.10330	1.7
323.13232	1.5
325.10645	2.1
325.14307	3.6
327.14676	1.6
335.12799	2.1
343.15381	5.3
369.14230	3.4
370.14920	3.2
403.18866	1.5
409.16284	3.2
421.20087	4.1
431.18231	2.1
449.19604	20.2
450.20102	2.1
467.20602	20.0
468.20764	1.6
477.19052	1.6
502.32501	1.8
509.20999	4.5
539.21088	1.9
541.23340	4.2
575.22638	1.9
577.32233	1.7
593.23444	1.8
664.32465	9.3
665.25165	2.2
665.34479	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	664.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
62.49929	2.9
69.03421	2.9
69.21465	14.7
69.21885	9.8
74.28139	3.4
79.05479	8.3
85.08921	2.6
91.05469	5.9
95.04964	4.4
103.05441	5.2
105.07038	4.1
107.04964	22.5
109.10095	4.1
115.05395	3.3
117.07007	3.5
121.06516	7.4
123.04414	8.9
129.06993	6.2
131.04948	4.8
131.08572	5.5
133.06473	3.6
135.04417	4.0
137.05980	12.6
137.09598	4.0
139.03886	6.6
141.07034	4.6
144.05678	7.2
145.06480	10.6
147.04446	4.2
149.05960	4.1
151.03969	6.8
153.01851	9.0
153.05464	3.7
156.05699	8.6
157.06488	4.6
158.07327	5.2
159.08034	12.9
161.06024	7.7
163.03908	11.2
163.07526	4.7
165.09178	4.9
167.07024	53.7
170.07211	3.0
173.05946	6.9
174.06763	7.1
175.03798	3.1
175.07518	6.0
177.05476	4.2
179.06969	6.7
181.04990	5.4
181.08638	5.0
183.85683	2.9
187.07564	11.3
189.09064	11.4
190.06235	5.3
191.06944	3.3
193.08582	7.4
195.08081	3.2
201.05466	3.9
201.09058	7.4
202.06172	3.8
205.08594	13.3
209.08075	4.6
215.06960	3.4
217.08566	22.7
218.07193	5.5
218.65489	3.2
219.08102	7.2
219.10048	5.9
220.08620	4.2
221.06125	4.0
229.08643	7.6
231.08080	6.5
233.09564	4.8
233.11908	3.0
247.07451	10.4
247.09679	17.0
247.97905	3.4
248.08194	6.2
249.08974	6.9
249.11247	3.7
251.10562	3.7
254.05753	3.8
259.07489	3.4
261.09161	5.5
262.09708	3.8
263.06805	5.1
264.07846	5.2
265.08395	5.0
269.08017	4.6
271.09482	3.6
276.07703	5.4
277.08566	5.7
279.10260	7.2
281.08035	3.0
282.08905	5.1
290.09567	3.5
291.10083	8.9
292.07199	5.5
293.08032	10.1
295.09518	4.1
307.09592	7.1
308.10248	5.5
315.08588	17.1
319.09518	5.8
323.12683	7.3
325.10736	3.4
330.11002	26.6
331.11594	5.8
337.10590	7.5
339.12238	7.8
343.11670	6.3
351.12277	12.8
353.09940	4.3
355.11713	7.0
368.12457	6.3
369.13226	10.2
371.14798	13.8
383.14865	100.0
384.15005	13.1
387.14313	8.2
395.07269	3.2
401.15912	51.7
402.16254	3.7
419.16742	6.0
427.17438	57.4
551.08447	3.0
687.12305	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	664.4624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	7.0
57.03439	10.1
57.07078	26.9
57.48648	1.1
59.04994	3.5
61.02923	3.4
65.03949	1.6
65.47874	1.0
67.05505	65.7
68.05818	1.2
69.03436	2.2
69.07066	7.9
69.48386	7.0
71.04984	3.4
71.08629	19.6
73.02927	1.6
79.05502	2.0
79.67794	1.0
81.03402	1.2
81.07059	14.9
83.08624	10.4
85.02895	3.8
85.06529	2.4
85.10189	9.2
89.06049	1.4
91.03951	1.2
91.05482	7.1
93.07034	5.8
95.08614	15.6
97.02889	1.5
97.10184	3.2
105.07025	4.8
107.08590	5.6
107.17093	1.2
109.10158	69.6
110.10474	1.3
111.08091	3.0
113.05979	1.2
117.06982	1.0
119.08590	7.1
119.72431	1.0
121.06520	1.6
121.10142	3.0
122.17110	1.0
123.11697	3.6
129.07045	1.2
131.08559	2.5
133.10135	2.8
135.11700	2.7
137.09612	1.9
143.08652	1.2
145.10123	4.3
146.10445	1.6
147.11745	1.5
149.09669	1.6
155.10660	4.5
157.10139	2.0
159.11690	3.0
160.12006	1.4
173.11760	18.9
173.13239	1.4
191.07098	1.3
193.93120	1.2
199.14844	1.3
201.16400	8.7
202.16737	6.2
202.90604	1.1
211.07248	1.1
211.09586	1.3
229.14352	100.0
230.14680	5.5
237.14850	3.0
239.23695	1.5
257.24771	2.2
313.27359	77.3
314.27808	5.7
411.21698	2.6
415.21198	2.2
429.22604	9.0
467.37320	58.4
468.37711	6.4
647.35809	8.6
664.38348	1.7
665.40601	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.4
55.01874	0.4
55.05507	1.2
57.03436	1.5
61.02924	3.2
67.05499	4.0
69.03429	1.3
69.07064	1.4
69.79081	1.4
71.01331	0.5
71.04983	0.8
73.02915	2.6
79.05476	2.4
81.03417	1.1
81.07057	5.7
83.04980	0.9
83.08626	1.2
85.02895	4.0
85.06550	0.4
86.09702	5.9
87.04482	0.5
91.03945	2.5
91.05473	2.9
91.40720	0.3
93.07038	5.1
95.04972	0.9
95.08607	2.8
97.02901	3.3
97.06523	1.1
98.23270	0.6
99.04502	0.6
101.02343	1.6
105.07037	1.6
107.04929	0.5
107.08585	3.2
109.02853	0.4
109.10143	1.1
111.08066	0.6
115.03922	0.5
117.07018	1.2
119.04969	0.5
119.08563	0.8
121.06497	0.7
121.10112	1.5
123.11725	0.4
127.03938	1.2
129.07120	0.4
131.08575	1.1
133.06541	0.4
133.10129	1.6
135.11702	1.3
137.05977	0.7
145.02878	0.5
145.10129	0.7
147.04410	0.9
147.11707	0.7
149.13248	2.2
151.03915	1.2
151.11198	0.4
153.05446	0.5
157.10141	0.6
159.11641	1.7
163.04021	0.9
163.11285	0.3
163.13060	0.3
164.08372	0.3
165.05368	0.3
169.10066	0.3
177.05513	1.0
179.06995	0.6
185.04324	0.6
185.13126	0.4
187.14981	0.4
189.16342	0.4
195.13744	1.8
199.14806	0.4
213.12454	0.5
235.13086	2.0
243.08421	2.4
269.17322	1.5
280.59784	0.3
291.15771	0.5
298.21313	0.6
315.08908	0.3
326.20816	1.8
439.28873	1.7
450.30511	0.4
452.68027	0.3
453.20929	17.6
454.21207	1.2
501.32190	0.5
503.29532	0.6
545.28473	0.3
609.67834	0.3
665.34985	100.0
666.35345	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	665.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
55.05511	1.3
57.03441	1.8
61.02925	5.0
67.05499	5.6
69.03432	2.4
69.07076	1.8
69.26294	2.1
69.26723	0.5
71.04994	1.0
73.02921	3.5
77.15945	0.3
79.05491	3.5
81.03418	1.3
81.07050	7.0
81.97891	0.3
82.07347	0.4
83.04998	0.5
83.08621	1.5
84.39648	0.4
85.02898	4.7
85.06543	0.4
87.04469	0.7
91.03947	2.7
91.05466	2.3
93.07037	4.6
95.04984	0.6
95.08605	2.1
97.02876	4.6
97.03394	0.4
97.06509	0.4
98.22594	0.7
101.02361	1.8
103.03946	0.5
105.07042	1.4
107.08589	3.4
109.02902	0.5
109.06526	0.3
109.10132	0.8
111.08095	0.7
115.03909	0.4
117.03393	0.3
117.07011	0.9
119.08604	1.2
121.06530	0.5
121.10152	1.7
123.11750	0.7
127.03932	1.1
131.08580	1.0
133.10126	2.2
135.11685	1.5
137.06039	0.4
145.02855	1.4
145.10094	0.6
149.13239	1.8
149.88141	0.3
153.05482	0.4
159.11723	1.3
173.13385	0.4
177.05495	2.3
177.12823	0.4
178.05875	0.4
195.06647	0.4
195.13791	1.7
203.05255	0.4
203.57913	0.3
229.91325	0.3
235.13034	1.5
243.08333	1.8
269.17465	0.7
291.15762	0.5
310.50580	0.4
421.91824	0.3
453.20923	14.5
454.21338	1.2
470.33459	0.7
471.33948	0.7
665.34985	100.0
666.35284	13.5
671.44562	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
54.45737	0.3
55.01877	0.4
55.05512	1.0
57.03431	2.0
57.07079	0.5
61.02924	4.3
64.03254	0.3
67.05506	5.9
69.03430	2.7
69.07072	2.0
69.56975	0.6
69.57371	1.4
71.05011	0.8
73.02914	3.3
79.05487	3.5
80.20783	0.3
81.03419	1.8
81.07051	7.7
83.01326	0.4
83.08624	1.5
85.02901	4.9
85.23335	0.3
87.04466	0.6
89.71002	0.3
91.03963	3.2
91.05487	2.8
93.07047	5.3
95.04972	0.6
95.08607	2.1
97.02895	4.0
97.06535	1.2
99.04455	1.0
101.02383	1.4
105.07030	1.2
107.08591	3.4
109.02904	0.5
109.10152	0.4
111.08093	0.8
113.03349	0.3
115.03915	0.4
117.07026	0.8
119.08611	0.4
120.67558	0.4
121.10168	1.9
127.03945	1.4
131.08551	1.0
133.10146	1.4
135.11670	0.8
149.13258	2.8
151.11099	0.4
151.60034	0.4
159.11703	1.0
177.05423	0.5
177.12817	0.5
179.07114	0.5
185.04216	0.5
195.13821	1.6
235.13158	1.5
241.67867	0.3
243.08461	2.6
269.17468	1.1
291.15799	0.8
343.45145	0.4
453.20914	13.2
454.21402	1.1
490.04956	0.4
491.22360	0.4
503.30307	0.4
648.68182	0.4
665.34991	100.0
666.35297	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	665.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09792	0.3
53.03940	0.8
55.05509	1.1
56.11377	0.4
57.03440	1.7
61.02924	4.3
63.51015	0.3
67.05504	4.6
69.03416	2.5
69.03716	1.4
69.04138	1.2
69.07068	1.7
71.04998	0.9
73.02911	2.3
73.89559	0.3
79.05494	2.9
81.03419	1.2
81.07060	5.4
83.01337	0.4
83.04973	0.8
83.08631	0.9
85.02905	3.6
85.06532	0.4
87.04450	0.4
91.03947	2.7
91.05475	1.9
93.07047	5.4
95.04972	0.6
95.08611	2.3
97.02900	3.5
97.06543	0.7
99.04477	0.5
99.08122	0.5
101.02396	1.4
103.03970	0.4
105.07046	0.8
107.08590	3.0
109.02882	0.7
109.10168	0.6
111.08099	0.7
117.03418	0.5
117.07030	0.7
121.10161	2.1
127.03918	1.5
131.08592	0.8
133.10173	0.8
135.11693	0.8
145.02846	0.9
145.04915	0.4
149.13266	4.1
153.05492	0.5
154.86987	0.3
159.11697	1.7
177.05473	2.5
177.12779	0.6
178.26878	0.3
185.04259	0.5
195.06558	0.4
195.13878	1.0
218.25467	0.3
235.13069	2.2
243.08389	2.1
269.17410	0.4
291.15686	0.8
453.20932	15.3
454.21405	1.4
503.29456	0.5
555.80176	0.3
665.35028	100.0
666.35382	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	665.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	0.2
53.00306	0.1
53.03946	0.2
55.05517	0.2
60.84740	0.1
63.02361	0.7
65.03934	0.2
67.05508	0.3
69.07060	0.3
69.35840	0.1
70.48866	0.4
77.03958	0.2
79.05483	1.7
80.35830	0.1
81.07043	0.5
85.02892	0.1
85.21379	0.1
87.98647	0.1
89.03911	9.4
90.04262	0.3
91.05472	0.4
93.07034	0.5
95.04967	0.5
95.08582	0.8
97.06511	0.2
105.04495	0.1
105.07038	0.7
107.04951	2.5
107.08590	0.6
109.10142	0.4
117.03371	10.4
118.03729	0.3
118.33139	0.1
119.08578	0.8
121.10157	0.7
122.61625	0.1
131.08568	0.3
133.10115	0.6
135.04405	22.0
135.11667	0.4
136.04736	0.7
143.08557	0.2
145.02838	14.0
145.10118	0.6
146.03177	0.6
147.04439	0.3
147.11670	0.4
149.13281	0.2
153.05457	0.2
157.10095	0.2
159.11658	0.5
161.13194	0.2
163.03889	100.0
164.04231	3.4
171.11920	0.1
173.13319	0.4
175.14821	0.4
177.05473	1.1
177.16330	0.3
186.05524	0.4
187.14792	0.5
189.16377	0.7
190.17133	0.2
191.14273	0.5
193.04979	0.2
193.15898	0.2
195.06450	0.2
201.16365	0.6
205.15828	0.5
213.16153	0.2
215.18079	0.2
225.27280	0.1
235.16881	0.4
247.16879	0.2
249.14798	0.4
269.67792	0.1
393.31647	0.2
433.30777	0.2
439.31934	0.3
440.32864	1.1
441.32471	0.2
485.32663	0.2
526.91266	0.1
629.34741	0.2
635.48865	0.2
665.34698	1.9
666.35083	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.2
55.01868	1.3
55.05510	3.4
57.07072	3.2
57.25696	0.7
59.04998	2.4
65.12398	0.8
65.39948	0.9
67.05501	6.8
69.03428	2.4
69.07070	6.2
70.57137	2.1
70.57467	2.1
71.04977	2.9
77.79920	0.9
79.05486	4.6
80.99994	1.1
81.07052	9.3
83.04975	2.8
83.08620	2.3
85.06541	1.5
87.04469	1.4
91.05472	8.3
93.07048	9.8
95.04980	2.9
95.08618	8.2
97.06517	5.6
105.07033	12.3
106.99216	1.0
107.04910	2.2
107.08584	10.3
109.06523	2.6
109.10167	7.0
111.04438	1.4
111.08075	2.1
113.05998	2.7
117.07007	4.1
117.36445	1.0
119.08586	10.5
121.06498	2.7
121.10139	15.4
123.08048	4.3
123.11719	4.0
125.09608	2.8
131.08557	5.4
133.06503	1.2
133.10101	6.2
135.08089	5.3
135.11673	5.1
137.05978	4.0
137.09576	4.8
137.13217	1.1
139.03915	1.5
139.11169	7.8
143.08501	2.1
145.10123	12.0
147.08084	1.9
147.11693	6.1
149.05934	1.6
149.09622	7.9
149.13234	2.4
150.10355	1.6
151.11223	1.4
153.05496	2.2
153.09062	0.9
157.05009	1.3
157.10167	2.2
159.08098	2.1
159.11708	10.1
161.05905	1.1
161.09627	2.0
161.13243	2.3
162.06630	1.0
163.07506	4.8
163.11191	2.7
163.14851	1.8
165.09119	3.2
167.10722	5.2
171.11703	1.4
173.05927	1.1
173.09702	1.9
173.13272	3.5
175.07545	3.9
175.11223	2.3
177.05473	4.6
177.09071	2.2
177.12758	2.5
177.16458	1.4
178.06206	3.1
179.07030	2.8
181.94339	0.9
187.14827	1.6
191.07024	12.8
191.10793	1.5
191.14301	3.7
193.08630	4.0
195.10233	1.3
201.09259	1.7
201.16397	9.9
202.16789	1.5
203.17953	5.9
205.08662	2.4
205.15926	3.1
209.08023	8.4
209.09583	1.0
209.15350	3.6
211.07768	1.7
211.09560	6.8
215.06964	4.5
215.14275	1.4
219.10323	1.1
219.13846	3.3
219.17467	3.0
221.08000	2.0
223.09517	1.4
229.08621	4.0
231.10190	1.8
233.08139	6.0
235.13342	2.1
237.14850	16.4
238.15346	1.1
239.10526	1.8
241.08604	1.5
243.10172	2.9
245.11852	1.2
247.09467	2.0
251.16431	2.3
255.10146	2.3
257.07913	1.5
257.11703	2.8
259.09671	6.5
261.11163	1.6
267.10202	3.3
267.13742	1.7
269.08200	1.6
269.11716	2.3
270.12122	1.1
271.13284	1.2
273.11292	1.1
275.12726	2.2
279.10342	1.2
281.11618	1.5
283.09592	4.3
283.12866	1.5
285.08417	1.3
285.11209	8.1
287.09076	1.8
287.12604	2.1
289.14288	3.6
293.11734	2.3
294.12390	1.6
295.09738	2.4
295.13342	2.5
296.10416	1.0
297.11115	2.9
299.12814	2.1
301.10657	3.4
303.12180	4.3
303.15576	1.4
309.14801	1.7
311.12762	4.1
311.16296	1.7
312.13580	1.0
313.14319	5.5
321.11304	5.1
321.14612	1.3
322.11679	1.0
327.15845	3.7
329.13892	3.0
329.17392	2.0
331.15323	5.4
337.14059	2.0
339.12241	13.3
339.16040	1.7
340.12787	1.6
341.17474	3.0
343.15494	2.1
345.17017	2.3
351.15732	1.4
353.13794	1.5
354.14542	2.1
355.15353	10.5
357.13306	2.9
359.18362	1.2
366.14517	1.5
369.20544	4.2
373.16248	7.7
373.19775	1.5
375.15945	1.2
383.22235	3.2
387.21664	12.1
393.20786	2.0
397.20096	8.3
401.23254	3.0
409.20123	1.8
411.21603	38.7
412.21832	3.4
415.21140	32.1
416.21378	3.7
417.16635	1.1
427.21231	1.9
429.22733	100.0
430.22943	10.0
433.20105	1.7
449.19211	2.5
465.26605	1.6
479.24139	1.7
483.27411	4.9
503.24124	3.0
507.28223	1.3
519.23553	4.2
533.25104	1.7
559.30176	1.2
561.31909	1.6
589.27631	1.6
595.32452	2.0
619.36157	5.8
620.35907	1.6
629.34711	3.3
647.35760	86.5
648.36060	16.3
665.39752	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	665.3894
Annotation	Paradrymonoside
Peak:m/z	Relative Intensity
53.03939	0.8
53.79649	0.4
55.05513	1.4
57.03448	0.5
57.47900	0.3
57.88777	0.4
67.05495	2.4
69.03425	1.6
69.07077	2.5
70.16455	0.8
70.16836	0.8
71.04987	0.7
72.00247	0.4
76.91835	0.3
79.05497	2.9
81.03416	1.0
81.07051	5.8
83.04978	1.8
83.08611	0.9
85.02905	3.0
91.05486	3.1
93.06460	0.5
93.07040	5.9
95.04953	1.8
95.08603	7.3
97.02902	1.1
97.06528	1.4
99.04452	0.4
103.05522	0.4
105.07028	11.2
107.08589	7.8
109.02851	0.5
109.06557	1.7
109.10129	3.0
111.04488	0.5
111.08068	0.6
113.18744	0.3
117.07054	1.0
119.08579	15.1
120.08945	0.5
121.06501	2.0
121.10143	7.0
123.04359	0.4
123.08080	1.5
123.11708	1.5
125.05976	0.5
126.55250	0.4
127.03891	0.5
127.07580	1.1
128.06198	0.5
128.35016	0.3
129.07018	1.3
131.08577	4.9
133.06508	1.0
133.10123	7.3
135.08066	1.6
135.11702	2.3
137.05963	0.6
137.09624	1.0
139.07518	0.5
141.07062	0.5
142.07753	0.4
143.08575	3.5
145.10117	6.7
147.04471	0.3
147.08067	1.7
147.11688	4.0
148.60237	0.4
149.09587	3.3
149.13280	1.6
151.03867	0.6
153.09160	0.9
155.08586	1.2
156.09375	0.7
157.10155	4.0
158.10811	0.4
159.08115	0.9
159.11693	5.7
161.09634	3.4
161.13234	2.7
163.07491	0.4
163.11169	2.0
163.14815	2.7
165.09155	0.7
166.08678	0.5
167.07016	0.8
169.10129	2.2
170.10941	0.7
171.11705	3.2
173.09619	1.2
173.13268	7.0
175.07582	0.7
175.11211	1.6
175.14816	8.0
176.15198	0.8
177.12784	0.6
177.16383	1.4
181.10184	0.5
183.06534	0.6
183.11642	1.8
185.09595	0.4
185.13277	3.4
187.11258	0.8
187.14777	4.6
188.15202	0.5
189.12798	2.0
189.16374	13.1
189.17996	0.7
190.16739	0.5
191.14331	2.5
191.17982	0.9
195.11679	0.7
197.13266	2.6
199.14784	4.8
201.12782	1.3
201.16451	1.4
203.14314	2.5
203.17969	0.4
205.15900	0.7
207.13849	0.8
209.13498	0.8
211.14845	1.6
213.12775	2.0
213.16400	1.6
215.14297	1.9
215.17885	0.7
217.15877	5.8
221.15236	0.6
225.16502	0.6
227.14391	0.7
227.17969	1.2
229.15974	1.3
229.19562	0.7
231.13849	2.7
231.17450	0.5
233.15462	0.7
235.16937	2.4
239.17915	0.5
241.15651	0.4
241.19472	0.4
243.17493	0.4
245.19125	0.5
249.14969	1.3
253.19557	1.1
257.19055	0.6
265.19516	0.4
267.16003	1.6
267.20935	0.4
271.20520	1.8
293.22189	0.4
297.18509	0.5
373.29160	0.6
379.26392	0.4
391.30096	1.4
403.29877	2.1
419.29352	0.5
421.30936	3.0
431.29550	0.8
437.30573	2.1
439.32031	2.2
440.32953	0.5
449.30518	2.4
455.31024	0.4
457.33188	3.7
464.88391	0.4
467.31573	6.1
468.32141	0.9
485.32480	3.6
486.33450	0.5
503.33646	100.0
504.33969	13.3
665.30615	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.4041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	4.8
57.07075	1.5
63.02381	1.2
65.03946	1.2
67.05499	6.9
69.03179	7.9
69.07056	4.8
79.05496	5.3
79.05876	0.9
81.07066	13.1
83.08605	5.3
85.06552	0.8
89.03915	7.5
91.05487	7.6
93.07049	12.1
95.04948	1.1
95.08605	17.5
96.08965	1.4
97.06535	1.0
97.10179	1.3
98.22600	1.8
105.07035	10.3
107.08588	15.3
109.06526	1.0
109.10165	8.2
111.08104	1.0
117.03381	16.8
117.07081	1.0
119.04946	1.4
119.08585	15.9
120.08852	1.0
121.10139	11.7
123.11691	5.0
125.06060	0.9
125.09641	1.3
131.08572	6.2
133.10127	9.2
134.03645	2.0
135.04431	3.3
135.11685	11.7
136.12007	0.9
137.06009	3.0
137.13264	4.0
143.08559	2.3
145.02849	45.7
145.10121	7.0
146.03232	2.6
146.10524	0.9
147.04446	4.9
147.07973	0.9
147.11691	5.8
149.05986	8.5
149.13255	7.6
151.03897	0.9
151.07553	1.2
153.05441	4.4
157.10103	4.0
159.11717	6.3
161.13263	4.1
163.03925	2.5
163.14862	1.6
165.05545	1.6
165.12729	0.9
169.10121	1.9
171.11684	5.7
173.13232	3.9
175.14838	5.2
176.15149	1.0
177.05475	100.0
177.16380	8.6
178.05804	4.8
179.07082	4.2
180.07356	1.9
183.11678	2.0
185.13290	4.4
187.14789	5.8
189.12820	1.0
189.16360	6.3
191.14304	1.3
191.17993	1.9
193.04900	1.1
195.06546	31.1
196.06856	1.8
197.13184	1.5
199.14903	3.2
200.15186	0.8
201.16429	5.5
203.14346	1.2
203.18001	7.4
204.18324	0.7
205.15840	2.0
207.13866	0.9
207.17400	1.0
211.02147	0.8
211.05884	1.2
211.14844	1.5
213.03607	1.2
213.16373	2.7
215.18021	2.9
217.12314	2.7
217.19511	1.9
219.13815	1.4
219.17372	0.8
225.16409	1.2
227.18095	0.9
229.16008	1.4
231.17484	1.0
239.18089	1.1
245.15437	2.2
247.16864	1.4
249.14847	2.4
275.16541	1.4
295.24002	1.0
299.20096	1.0
349.29031	1.2
367.29926	1.4
371.25684	1.0
389.31934	0.9
395.29282	2.3
407.33102	3.9
427.32068	2.2
435.32144	1.7
436.33612	0.9
437.65634	1.0
453.33530	6.8
469.33121	1.0
471.33887	2.5
519.98163	1.0
550.57153	0.8
628.72333	0.9
665.42450	21.7
666.44482	4.3
666.76697	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.7
57.07070	1.2
57.47824	0.8
67.05499	3.9
68.99778	2.4
69.07061	2.5
71.32303	1.6
79.05488	3.9
81.07057	5.9
83.08601	1.2
86.05073	1.0
91.05476	3.0
93.07057	5.3
95.08613	6.4
105.07026	3.2
107.04926	0.9
107.08596	3.5
109.10150	4.6
110.03661	1.0
117.03394	1.1
119.08554	5.0
121.02899	0.8
121.06532	1.3
121.10149	3.2
125.05999	3.5
131.08540	1.6
133.02856	1.1
133.10147	3.0
135.11682	1.5
137.09601	1.1
141.05479	1.3
145.02847	1.9
145.10107	2.6
147.11707	3.0
151.03903	100.0
152.04227	4.1
159.11717	2.1
159.84058	0.8
161.02420	0.9
161.13245	1.9
163.14859	1.0
173.13348	1.3
175.14818	2.2
177.05470	2.0
177.16425	1.1
187.14793	1.9
189.16396	3.3
193.04990	6.4
199.11385	0.9
201.16403	2.9
203.17947	4.3
211.06009	30.6
212.06494	1.9
215.17957	2.2
220.43535	1.0
327.13101	0.9
374.80673	0.9
415.17297	2.0
429.19025	1.6
437.34039	5.0
462.75009	0.9
479.88965	0.9
480.30035	0.9
567.36298	1.0
631.95148	0.8
665.45801	44.7
666.45801	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	665.4045
Annotation	Bisandrographolide B
Peak:m/z	Relative Intensity
53.03931	0.9
55.05498	2.7
57.07072	0.8
67.05504	5.1
69.03416	0.7
69.07074	3.9
70.57440	2.0
79.05478	3.9
79.63814	0.6
81.07055	7.9
83.04983	1.3
83.08642	2.9
89.03914	9.2
91.05468	5.7
91.57143	0.6
93.07039	8.6
95.04967	0.8
95.08601	11.5
105.07030	10.5
106.84945	0.5
107.08589	14.0
109.06525	1.0
109.10155	7.3
111.08075	1.4
117.03380	23.5
117.04213	1.4
117.07037	1.7
119.08582	17.7
121.06466	0.9
121.10133	10.1
123.11701	4.1
125.09614	2.1
129.06990	1.0
131.08562	5.7
133.09187	0.9
133.10126	11.1
134.03616	1.6
135.04466	1.3
135.11670	4.4
137.09677	0.9
137.13286	0.9
143.08531	2.1
144.09265	0.7
145.02838	53.4
145.10114	10.4
146.03177	2.0
146.10458	0.7
147.04373	0.8
147.11682	6.1
149.05962	9.0
149.13235	3.4
153.09090	1.0
157.10110	2.1
158.10925	0.6
159.11684	8.2
161.13242	5.5
163.03870	2.6
163.11212	1.1
163.14803	2.1
169.10046	0.6
171.11668	3.1
173.13263	5.0
175.14870	7.2
177.05460	100.0
177.16354	4.5
178.05838	3.9
181.10147	1.2
183.11697	1.1
185.13202	1.2
186.14059	0.7
187.14818	11.4
188.15160	1.1
189.16383	11.0
190.16653	0.8
191.14340	1.9
191.17906	2.5
195.06519	12.3
199.14743	3.3
201.16388	13.0
202.16751	0.8
203.17923	4.9
205.15845	2.3
207.17465	0.7
211.14832	1.0
213.16377	7.2
214.16660	0.9
215.17946	6.1
217.15833	2.1
217.19531	1.3
219.17436	3.8
225.16377	0.8
227.17960	1.5
230.00369	0.7
231.17520	0.8
233.19041	1.2
235.16890	2.9
239.18063	1.0
241.19420	1.1
247.16919	2.5
249.18475	0.8
253.19717	0.9
255.21149	0.6
257.92035	0.7
259.16943	1.1
261.18500	2.0
267.21057	1.7
281.22488	0.8
349.28763	0.7
351.26730	0.7
389.31961	2.8
391.33841	0.8
407.33032	10.3
408.33450	0.9
409.30960	2.0
435.32651	7.2
443.07541	0.8
453.33853	5.5
492.17783	0.6
511.56207	0.8
665.34662	4.7
666.36670	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.4059
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16986	0.7
55.05498	3.2
57.07054	1.0
59.73918	0.7
65.03934	0.8
67.05508	6.3
69.07072	3.9
69.15271	3.0
69.15697	3.0
79.05504	4.4
81.03413	1.2
81.07049	11.1
83.04973	3.0
83.08600	1.9
89.03915	8.5
91.05474	7.6
93.07034	11.5
95.04956	1.9
95.08603	15.4
96.08916	0.8
97.06499	1.1
97.10167	1.2
97.12126	0.6
105.04503	0.7
105.06356	1.2
105.07026	12.8
106.04192	0.9
107.07928	1.1
107.08595	16.0
109.06498	1.1
109.10156	9.5
111.08088	1.2
117.03378	22.9
117.07014	2.3
118.03689	1.2
119.08577	14.6
120.08956	1.3
121.06464	0.7
121.10143	11.7
123.08049	1.2
123.11694	2.9
125.09654	3.8
129.07007	1.6
131.08542	5.6
133.06520	0.8
133.10115	11.4
134.03621	2.6
135.04382	2.0
135.08029	0.7
135.11702	6.0
137.05914	1.3
137.09517	1.1
143.08580	3.2
145.02840	51.6
145.10130	8.1
146.03177	2.2
147.11673	7.0
149.05978	8.6
149.09622	1.1
149.13266	3.8
151.11131	0.9
155.08603	1.1
157.10112	2.6
159.11687	8.4
161.13266	6.5
163.03882	2.7
163.14830	4.0
169.10126	1.3
171.11658	1.7
173.13231	5.3
175.14806	8.7
177.05466	100.0
177.16374	8.4
178.05814	4.4
183.11668	0.9
185.13251	1.4
186.05553	1.1
187.14819	9.9
189.16357	7.8
191.14317	2.0
191.17976	2.1
193.15895	1.4
195.06514	9.1
199.14844	4.3
201.16379	10.9
202.09921	1.0
202.16681	1.6
203.17924	4.9
205.15900	2.5
211.14925	0.7
213.03799	0.9
213.16389	10.5
215.17972	5.7
217.15822	1.8
217.19452	2.7
219.17426	2.8
225.16219	0.9
227.17892	1.5
229.19460	0.8
231.17361	1.0
233.19037	1.1
239.17906	0.7
241.19528	2.5
243.21016	0.8
247.16861	1.0
259.16943	1.9
261.18594	1.0
267.21136	3.5
281.22852	0.7
306.36868	0.8
389.31854	1.7
391.33844	0.6
395.29211	1.1
407.33060	8.0
408.32880	0.9
409.34546	3.7
425.34109	1.5
435.32483	2.5
443.35242	2.5
453.20972	1.1
453.33508	7.8
664.48993	0.9
665.36365	21.8
666.37671	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	665.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27193	0.5
53.03937	0.6
55.05509	1.4
57.07087	0.5
57.80983	0.5
65.03926	0.9
67.05503	3.2
68.99785	1.8
69.07065	1.5
71.04976	0.5
79.05486	1.8
81.03421	0.6
81.07049	5.3
83.08610	1.6
83.87073	0.6
85.06545	1.2
87.00817	0.9
89.10098	0.5
91.05478	2.3
93.07044	4.3
95.04977	1.2
95.08620	4.5
97.06554	1.0
100.49807	0.5
104.19546	0.5
105.07046	3.3
107.04947	0.6
107.08600	3.7
108.02120	0.7
109.06516	0.7
109.10151	2.3
110.03654	1.5
111.04410	0.6
117.07020	0.6
119.08573	3.5
121.06487	0.5
121.10132	3.9
123.11704	1.2
125.05992	3.2
131.08553	1.4
133.10130	3.2
135.08044	0.6
135.11703	2.2
145.02809	0.9
145.10109	2.6
147.04362	0.6
147.11697	2.2
149.09601	0.9
149.13281	1.5
151.03908	100.0
152.04222	3.3
159.11716	1.3
161.13263	1.5
163.14755	0.8
167.10652	0.7
173.13258	0.7
175.14864	1.4
177.05481	2.3
177.16389	1.1
187.14835	0.7
189.16330	2.3
191.10751	0.7
192.85786	0.5
193.05002	3.4
201.16396	1.7
203.17926	2.7
209.11732	0.8
211.06003	24.0
212.06453	1.0
215.18039	1.3
227.12798	1.6
247.16765	0.9
249.18405	0.7
261.18549	1.0
263.75937	0.5
409.42316	0.5
419.55020	0.6
425.34344	0.8
437.34036	2.5
438.34802	0.6
567.35431	0.7
579.37653	0.5
592.94110	0.5
665.44659	17.3
666.46240	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76976	1.2
55.05501	6.0
57.07070	4.9
59.04977	1.5
65.03931	1.4
67.05167	1.5
67.05508	15.3
69.03424	2.6
69.07070	9.9
69.34801	7.5
71.05010	1.9
71.08628	2.4
72.62012	1.1
77.03923	1.2
79.05489	13.8
81.07056	23.4
83.01320	1.4
83.08617	2.4
91.05475	22.5
93.07049	17.7
94.07359	1.2
95.04959	4.4
95.08605	21.3
96.08923	1.2
97.06526	7.0
105.07027	34.0
106.07347	1.6
107.08591	17.7
109.06522	1.6
109.10155	16.9
115.05477	1.7
117.07003	4.1
119.08577	28.3
120.08866	1.6
121.06506	2.9
121.10143	21.6
123.08063	4.8
123.11720	5.8
125.05996	1.1
125.09574	2.0
129.06950	1.6
129.55725	1.1
131.08563	7.6
133.10136	17.0
135.08046	2.3
135.11693	4.6
137.09586	3.6
139.03882	1.6
139.07587	1.5
139.11156	10.9
141.05466	1.8
143.08568	2.7
145.10141	8.7
147.08060	1.3
147.11685	50.0
149.09608	4.1
149.13272	4.0
150.10361	1.8
151.07478	1.6
153.05507	2.3
155.08565	1.3
157.10132	3.0
159.11670	8.3
161.13245	9.9
163.07489	3.0
163.14821	2.5
165.09082	2.0
167.06975	1.5
167.10640	4.5
169.04913	1.6
173.13266	3.0
175.07507	2.2
175.14868	3.4
177.05453	1.3
177.09061	1.4
179.07030	4.6
181.08560	1.5
189.16377	2.2
190.22903	1.1
191.07013	4.3
191.14276	2.9
193.08643	2.2
195.13840	1.3
197.08167	6.8
197.09613	1.5
199.14781	3.5
201.08984	1.1
201.16420	17.4
202.16681	1.4
203.17950	100.0
204.18358	6.7
205.08620	2.8
205.19435	2.1
207.10091	1.4
209.08174	1.6
209.13445	1.4
209.15346	3.6
211.09653	6.9
219.13991	1.3
219.17442	4.9
223.09584	2.6
227.09108	2.2
235.13283	1.7
237.14836	33.8
238.15208	1.8
265.14383	8.5
353.24573	1.5
365.24838	3.1
381.24283	8.6
382.24597	1.3
383.25858	6.4
385.16382	3.6
393.13599	2.5
393.24036	1.2
397.23648	1.5
399.25195	2.6
407.18246	1.4
411.14545	2.2
411.25449	7.2
425.19751	7.8
425.24631	1.4
427.21078	2.0
429.15341	10.3
429.22034	2.2
430.15698	1.9
441.22534	1.8
443.20953	1.6
456.88885	1.3
502.97339	1.4
532.40668	2.6
569.32599	2.3
587.33441	10.8
605.34851	6.4
611.36560	1.8
629.38135	8.9
647.39325	6.8
665.40393	13.3
671.99481	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.4059
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16512	2.0
55.05512	7.7
57.07078	19.3
59.04981	2.4
67.05506	10.7
69.03435	2.5
69.07067	9.1
69.14518	7.5
69.14938	10.5
79.05466	12.5
81.07061	22.7
83.08627	4.8
87.04472	2.2
91.05473	22.6
93.07050	15.1
95.04957	5.0
95.08607	24.8
97.06528	8.9
97.10165	3.3
98.23336	4.7
102.25049	1.9
105.07030	38.9
107.08588	17.8
109.06564	2.7
109.10153	18.2
111.08112	2.7
113.06008	2.3
117.07024	5.8
119.08572	29.9
121.06477	1.8
121.10146	32.0
123.08062	7.7
123.11671	10.9
131.08572	7.8
133.10138	21.4
135.08090	4.0
135.11696	6.8
137.06047	3.0
137.09627	4.5
139.11160	13.5
143.08601	2.3
145.10112	8.8
147.08052	2.5
147.11679	64.4
148.12096	2.0
149.09634	6.9
149.13269	6.9
150.10379	5.6
151.07529	3.7
153.05501	3.0
157.10124	3.0
159.11650	4.7
161.13284	11.0
167.10709	7.5
173.13297	2.4
175.14827	3.3
179.07022	9.6
181.08673	2.6
189.16406	2.6
191.06891	3.3
191.14290	3.1
193.08768	2.8
197.08061	14.4
199.14763	2.9
201.16412	16.5
202.16740	3.2
203.17947	100.0
204.18286	5.6
205.19495	2.7
209.15356	6.5
211.09642	3.3
215.10730	2.6
219.13777	3.9
219.17436	3.2
223.09631	4.3
227.09039	3.1
237.14824	57.0
238.15326	2.7
251.04626	4.0
265.14349	12.3
293.21368	2.5
327.07770	11.3
328.08087	17.0
329.08426	7.2
343.69360	2.3
365.24420	3.4
377.25616	2.2
381.24210	4.6
383.14011	7.5
383.25763	9.3
384.14420	17.0
385.14624	10.7
399.25409	2.9
411.25168	4.1
425.19424	6.7
439.20016	3.6
440.20740	14.6
441.21045	12.0
461.21780	2.6
496.26801	10.9
497.27341	13.4
552.33051	9.4
553.33490	18.7
559.33759	2.7
577.35486	2.7
587.33075	8.4
605.34692	4.8
608.40002	3.5
609.39594	9.4
629.37811	9.3
647.39075	6.5
665.39874	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02351	0.5
51.63186	0.5
55.01856	0.5
55.05513	4.0
57.07067	1.9
63.02367	1.1
65.03922	0.7
67.05508	6.2
69.07059	4.5
69.07579	4.8
69.27113	0.5
71.04994	0.6
79.05491	4.4
81.07056	11.2
83.04969	0.5
83.08616	6.0
89.03916	8.1
91.05471	7.5
93.07043	9.4
94.07379	0.7
95.04946	0.9
95.08604	16.8
97.10159	1.3
103.87154	0.6
105.07022	11.8
106.04132	0.6
107.04926	1.1
107.08591	15.1
108.08839	0.6
109.06538	1.1
109.10145	7.6
111.08096	0.7
115.05427	0.6
117.03372	21.7
117.07004	2.4
118.03706	0.6
119.04938	0.8
119.08575	19.8
119.09428	1.1
120.08939	1.2
121.10138	11.6
123.11707	6.5
125.05943	0.8
129.07040	1.5
130.07787	0.7
131.08566	6.6
133.08594	0.6
133.10123	14.0
134.03616	2.0
134.10452	0.7
135.04427	2.7
135.08043	1.3
135.11679	8.3
136.12123	0.5
137.05962	1.2
137.09630	0.5
137.13232	1.7
141.07019	0.9
143.08540	3.2
145.02843	50.7
145.10115	12.5
146.03137	1.6
146.10487	0.7
147.04396	0.9
147.08054	0.6
147.11676	9.5
148.12007	0.6
149.05977	9.7
149.09538	0.8
149.13248	6.5
151.07523	0.8
153.05495	0.6
155.08594	0.7
157.10112	4.1
158.10774	0.7
159.08078	0.6
159.11671	9.2
161.09618	0.8
161.13264	6.4
162.13544	0.6
163.03877	3.2
163.07503	1.2
163.14830	5.0
165.09099	0.6
169.10097	1.1
171.11679	3.9
173.13219	4.9
175.14822	8.9
177.05460	100.0
177.16377	7.4
178.05766	3.5
179.07043	1.0
181.10054	0.8
183.11717	1.7
185.13205	1.9
186.05482	1.1
187.14819	11.3
188.15166	1.0
189.09149	0.6
189.16382	10.7
191.10619	0.8
191.17934	2.2
192.18155	0.6
195.06520	30.6
195.11635	0.8
196.06889	1.0
197.13268	1.6
199.14809	4.3
201.16379	18.1
202.16820	0.6
203.10748	0.8
203.14330	0.7
203.17964	11.1
205.15892	4.5
207.17459	1.3
209.13266	0.8
211.14772	1.4
213.16382	7.8
215.14357	1.5
215.17917	2.8
217.15994	0.6
217.19551	0.6
219.13885	0.9
219.17393	2.1
225.16391	1.1
227.17908	1.1
229.19519	1.1
231.13751	0.9
231.17433	2.1
233.15344	2.4
237.16548	0.7
239.17953	1.3
241.19453	1.3
245.15503	0.9
247.16920	2.3
251.18016	1.0
253.19446	0.9
259.16922	3.5
265.19540	0.6
267.21057	0.8
275.16409	0.6
277.17908	4.4
297.18591	0.7
313.21628	0.6
316.60153	0.5
327.23172	0.9
335.12427	0.8
336.12939	1.3
351.12033	1.4
352.12363	1.2
353.12756	0.7
378.78101	0.5
389.32059	3.6
407.33014	6.4
409.30835	4.5
417.31097	0.7
425.34198	3.4
427.32077	5.3
435.32602	10.6
436.32935	2.1
453.20834	1.4
453.33618	10.6
454.33862	2.1
519.13202	0.5
665.34888	16.4
666.36853	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81388	0.9
53.03934	1.7
55.05511	7.6
57.07064	1.8
61.02910	3.6
65.03924	1.4
67.05502	9.1
68.05854	1.3
69.03419	1.6
69.07072	9.6
73.02931	1.8
79.05482	8.1
81.03407	1.7
81.07053	17.1
83.04965	1.1
83.08624	8.9
85.02901	3.4
89.03913	10.5
91.03959	2.3
91.05484	9.5
93.03397	1.9
93.07048	13.9
95.04937	0.9
95.08600	20.1
97.02882	2.4
97.06499	0.9
101.02341	1.0
103.05502	1.1
105.07034	13.9
107.08588	18.5
109.06487	1.6
109.10150	8.1
111.04417	1.3
111.08080	1.0
117.03380	20.5
117.07027	2.9
119.08573	26.3
120.08949	1.1
121.06508	1.4
121.10136	13.6
123.08121	1.2
123.11697	6.8
125.05974	2.4
127.03921	1.7
131.08585	8.3
133.10135	16.0
134.03624	3.3
135.04419	2.9
135.11681	13.9
137.05975	2.9
137.13245	2.8
142.14490	1.3
143.08554	5.4
144.09372	1.0
145.02843	55.7
145.10121	16.1
146.03152	1.6
147.04408	1.5
147.11703	9.1
149.05983	9.9
149.13242	7.3
151.03848	1.2
151.14832	1.3
153.05472	6.0
155.08484	1.2
156.09328	1.2
157.10114	3.8
158.10907	1.8
159.11681	8.8
161.13272	5.0
163.03905	3.7
163.14842	3.5
169.10181	2.9
171.11638	6.9
173.13264	7.4
175.14810	9.3
177.05469	100.0
177.16402	5.4
178.05838	3.1
178.16599	0.9
179.06989	6.9
183.11716	2.5
185.13246	2.7
186.05498	1.1
187.14824	9.9
188.15149	1.1
189.16380	12.4
191.17874	1.7
195.06529	32.4
195.11670	1.5
197.13239	1.9
199.14786	4.8
201.16382	14.2
203.17911	7.7
205.15825	4.6
207.17535	1.1
209.13327	2.3
211.14836	3.5
213.16391	9.8
215.17859	5.2
217.12141	0.9
219.13791	1.7
219.17470	1.0
225.16341	1.1
227.17928	1.5
233.11633	1.0
233.15381	1.6
235.12968	1.4
239.17926	2.7
241.19539	1.8
245.15454	2.2
247.16960	3.5
253.19444	2.4
259.16977	5.3
267.21173	2.5
273.18588	1.5
285.18170	1.0
287.20160	1.9
299.20142	1.3
307.23953	1.3
353.24759	1.6
379.45978	1.0
389.32196	4.6
407.33145	9.2
408.33292	1.4
409.30914	12.0
410.31235	1.7
435.32645	18.6
436.32697	1.8
453.21017	11.2
453.33630	7.5
494.11719	0.9
507.13953	1.0
665.34839	67.6
666.35406	13.1
684.76068	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77072	1.1
53.03936	1.2
55.05504	2.9
59.30639	1.3
67.05499	4.7
69.07058	3.8
71.33479	1.6
79.05493	3.8
81.07047	9.6
83.04971	2.6
83.08617	3.5
89.03907	11.8
91.05470	4.2
93.07039	9.6
94.80529	1.0
95.08596	10.3
105.07028	8.9
105.21017	1.1
107.08583	12.7
109.10152	5.9
111.08054	1.0
117.03369	26.8
117.06995	2.0
118.46171	1.0
119.08564	13.4
121.10134	8.5
123.11713	2.8
125.09662	2.3
126.29018	1.2
131.08540	5.6
133.09207	1.6
133.10120	9.2
134.03671	2.1
135.04411	4.8
135.07999	1.2
135.11655	2.1
143.08597	2.5
145.02835	47.7
145.10097	10.5
146.03114	1.7
147.04460	1.5
147.11665	4.5
149.05981	5.9
149.13278	3.0
151.11200	1.4
157.10132	2.8
159.11696	7.9
161.13260	3.8
163.03902	22.6
163.14821	2.7
173.13287	5.8
175.14798	4.2
177.05461	100.0
177.16374	2.7
178.05811	5.2
185.13240	1.9
186.05560	1.5
187.14841	8.2
189.16374	8.4
191.14363	2.0
191.17926	3.5
195.06534	3.0
199.14835	2.3
201.16350	12.7
202.16745	1.2
203.17915	2.5
205.15857	1.9
207.17430	1.5
213.16426	5.1
215.17964	6.6
217.15999	1.4
219.17442	6.4
227.17934	1.8
229.19545	1.7
233.18835	1.6
235.16972	5.1
241.19528	1.2
244.58943	1.1
247.16966	2.7
267.21075	2.1
272.91940	0.9
289.21680	1.1
353.23151	1.2
407.33179	10.4
408.33316	1.2
409.34821	1.5
435.32568	3.9
440.32898	1.2
453.33563	8.9
454.34158	1.3
665.36304	9.9
665.46246	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	666.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.4
51.51780	0.2
53.03936	1.1
53.14082	0.4
57.03427	0.6
67.05507	0.5
69.03435	2.6
69.07024	0.3
69.50103	1.8
71.04982	0.4
79.01857	1.7
79.05475	0.8
81.03416	7.8
81.07056	15.8
82.70670	0.3
85.02904	3.8
95.08611	3.3
97.02893	6.2
99.04450	1.0
107.01312	1.1
109.02879	5.2
123.53506	0.3
125.02339	2.5
127.03915	7.9
137.13249	7.1
138.13649	0.4
143.03384	2.8
145.04962	1.5
153.01825	100.0
154.02133	3.0
171.02884	17.9
172.03217	0.4
279.05029	1.1
297.06036	14.0
298.06332	0.6
315.07092	41.3
316.07440	2.7
317.19577	0.9
348.74115	0.3
459.95041	0.3
522.85974	0.4
541.05493	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.2
55.01880	1.6
55.05510	9.5
57.03440	7.8
57.07050	6.2
58.40923	1.3
61.02922	50.8
64.00224	1.3
64.17210	1.2
65.03951	2.1
67.05499	67.2
69.03426	5.4
69.07057	9.9
71.04996	6.2
71.08649	2.0
73.02904	16.5
77.03925	1.3
79.05487	48.0
81.03425	3.8
81.07050	67.2
82.07394	2.5
83.05007	1.3
83.08616	8.7
85.02898	53.5
85.06567	7.0
86.09687	2.2
86.61546	1.5
91.03953	41.7
91.05473	27.8
93.07038	66.8
94.07376	2.2
95.04967	2.6
95.08597	46.3
96.08929	1.5
97.02883	28.0
97.03477	2.1
97.06541	5.7
97.10140	2.6
99.04446	3.4
99.08072	7.6
103.03934	1.6
105.07023	21.6
107.08584	34.8
108.08926	2.3
109.06501	2.8
109.10149	32.3
111.08096	3.3
113.09633	4.2
115.03918	4.0
117.06986	11.6
119.08578	16.2
121.10133	46.8
123.08051	3.0
123.11701	17.7
125.09650	4.6
127.03911	14.8
130.19841	1.3
131.08559	24.7
133.10117	24.9
135.11682	57.9
136.12015	1.9
137.09637	2.7
137.13245	3.8
139.11177	2.7
141.54272	1.2
145.04942	20.9
145.08990	1.6
145.10114	23.6
147.04362	1.7
147.11658	16.3
149.09645	3.7
149.13235	30.3
150.13611	1.6
151.11192	4.4
159.11678	23.3
160.12051	1.7
161.13252	4.7
162.26004	1.4
163.05994	30.3
163.07298	2.3
163.11183	3.0
171.11716	2.0
173.13280	18.4
175.14755	1.9
177.12744	4.5
181.12251	1.7
182.93188	1.2
186.14032	1.3
187.14792	7.2
189.16376	4.1
191.17889	3.7
195.13872	1.4
202.52956	1.4
205.15913	2.0
205.19508	9.0
206.99800	1.3
215.17935	89.1
216.18317	4.5
217.19492	1.9
233.18980	100.0
234.19334	7.4
235.20468	2.0
251.20125	6.5
307.22650	31.6
308.23050	2.2
325.23682	36.1
326.23895	1.8
451.27032	1.6
454.21259	1.8
469.27814	6.4
666.35352	16.3
667.36090	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	666.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	3.7
57.10723	1.8
67.05494	5.9
69.03429	3.7
69.05304	18.8
69.07063	4.8
79.05493	6.0
80.50936	2.2
81.07065	16.6
85.02905	8.9
90.86662	1.9
91.05451	9.5
93.07051	21.4
95.08620	20.1
97.02889	4.3
98.13370	1.7
98.22457	3.6
99.08086	13.1
105.07035	27.3
107.08591	29.2
109.10168	12.5
111.08102	3.0
117.07056	3.1
119.08586	34.4
121.10172	15.6
122.10453	2.2
123.11709	3.4
129.06966	3.5
131.08560	17.6
133.10132	22.9
135.11696	11.2
137.06000	2.7
142.07767	3.4
143.08560	10.6
145.04965	2.9
145.10135	23.8
147.11682	31.5
149.13245	6.2
152.06427	2.0
155.08604	3.1
157.08900	3.2
157.10133	14.9
159.11668	24.3
161.13251	10.5
169.10173	8.3
171.11710	16.6
173.13260	21.2
175.14792	11.4
177.16345	2.4
180.08667	5.8
181.10185	3.1
183.11636	10.2
185.13287	12.3
187.14795	19.6
189.16394	3.6
195.11546	4.2
197.13260	8.9
199.14813	17.7
201.16359	16.1
205.15880	6.0
209.13315	4.9
211.14815	5.9
213.16412	10.6
215.17905	2.7
217.15956	4.0
223.14877	10.4
225.16444	7.0
227.17741	2.1
231.17406	2.8
237.16345	2.4
239.17882	4.9
251.18039	5.0
253.19539	6.5
265.19553	5.8
269.18958	3.2
271.20633	5.9
283.20660	10.7
291.20883	2.5
293.22607	5.2
311.23645	3.5
333.26047	3.3
351.26657	5.4
357.24197	5.3
365.28375	9.0
369.27921	3.2
387.30490	2.7
393.31717	4.1
405.31583	18.6
406.32016	3.0
411.28931	9.4
423.32593	30.8
424.32889	3.5
439.32098	2.7
441.33661	100.0
442.34018	16.2
451.32068	28.4
452.32205	3.0
469.33124	17.4
487.34314	6.2
635.25134	2.7
667.22333	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	666.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	9.2
55.51107	2.7
61.02922	2.7
67.05487	10.6
69.03413	10.2
69.07062	15.4
70.45736	9.0
79.05489	13.0
81.03416	3.9
81.07056	30.9
81.21513	2.8
83.04969	9.7
83.08589	7.2
85.02908	22.2
91.05456	19.6
93.07040	45.9
95.04984	3.4
95.08592	25.4
97.02876	9.0
105.07025	37.9
106.07310	3.0
107.08578	44.9
109.06512	5.4
109.10148	22.2
111.08090	20.0
111.08778	3.5
115.05435	3.3
117.07018	6.5
119.08572	58.4
121.06503	5.3
121.10136	32.1
123.11703	7.8
125.09613	7.0
127.03915	5.6
129.07040	5.4
131.08554	18.2
133.10126	34.7
135.08026	5.1
135.11694	11.7
137.05995	3.5
137.09584	10.4
137.13130	2.8
142.07791	2.7
143.08530	10.5
144.09366	3.0
145.04962	4.8
145.10115	51.8
146.10385	2.9
147.11664	20.9
149.09578	3.7
149.13203	14.7
151.07492	2.9
153.09064	2.7
155.08620	3.8
157.10059	16.4
158.10832	3.0
159.11703	27.8
161.09636	5.9
161.13235	17.1
162.07645	3.4
163.11154	3.6
163.14854	21.3
165.12663	6.2
169.10100	7.2
170.10814	3.3
171.11688	18.9
173.13284	28.7
175.11176	4.4
175.14801	28.5
177.16389	9.0
180.08665	6.7
183.11691	5.6
185.13234	12.2
187.14790	46.4
189.12708	3.6
189.16367	47.7
190.16637	3.9
191.14279	9.9
191.18044	3.3
197.13286	6.6
199.14819	25.2
201.16351	32.1
203.14291	13.4
203.17940	18.4
205.15846	9.7
207.17462	4.1
209.13385	4.5
209.15385	8.7
211.14809	5.4
213.16319	19.5
215.17943	7.0
217.15926	14.9
219.17575	3.9
221.15356	13.2
225.16376	5.6
227.17920	8.6
229.19403	4.5
231.17462	6.7
235.16922	23.8
237.16344	3.1
239.17957	8.2
241.19501	20.7
247.16965	10.0
253.19563	4.9
255.21370	3.8
257.19131	3.5
259.16928	3.9
267.21075	7.9
273.18369	3.9
285.18402	4.2
287.20053	4.0
326.33615	3.1
341.24753	3.8
345.06213	3.6
363.26920	4.0
375.30389	4.0
377.31961	3.8
387.30307	9.6
393.31821	5.0
405.31497	63.0
406.31772	10.2
407.32962	12.8
421.30978	4.7
423.32443	10.1
433.30814	26.9
434.30899	4.0
439.32108	4.9
441.14935	5.1
441.33521	12.9
451.32080	100.0
452.32422	14.3
468.64075	3.1
469.32721	4.1
487.33798	6.5
666.21704	11.1
667.22479	12.3
667.32306	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	666.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.3
55.01888	1.6
55.05513	11.3
57.03445	1.8
57.07084	2.4
61.02920	3.0
65.03951	1.6
67.05508	14.7
69.03416	7.0
69.07067	20.2
71.04986	1.8
79.05492	13.6
81.03416	6.5
81.07054	28.6
83.05018	2.5
83.08621	7.4
85.02902	26.0
91.03925	1.7
91.05479	18.5
93.07047	38.0
95.04971	3.4
95.08604	61.0
96.08924	2.6
97.02879	8.4
97.06537	2.7
97.10143	8.1
98.23373	2.6
103.05434	1.6
105.07030	26.6
107.08594	49.5
109.02873	3.7
109.06520	2.1
109.10156	30.6
111.04451	1.9
111.08086	2.3
117.07022	6.3
119.08585	37.4
119.09418	2.1
121.06516	3.1
121.10144	51.2
121.10986	3.0
123.11700	13.4
125.09613	2.1
127.03913	3.1
128.06229	2.1
129.07005	3.5
131.08560	13.9
133.10132	23.1
135.08035	1.9
135.11685	48.6
137.05960	9.6
137.13261	9.4
139.11156	2.0
143.08569	6.1
145.04961	4.9
145.10129	17.6
147.04373	2.4
147.08014	1.6
147.11699	19.8
149.05994	2.7
149.09660	2.0
149.13264	22.1
151.03906	6.7
151.07524	4.4
153.07034	1.7
155.08554	2.8
157.10112	9.2
159.00781	1.6
159.08116	2.8
159.11708	15.8
161.06046	2.1
161.09619	2.2
161.13257	17.9
163.03896	2.0
163.07530	2.3
163.14825	31.6
165.09099	3.1
169.10129	5.5
171.11740	7.8
173.05925	1.6
173.09653	3.5
173.13254	21.4
175.11273	1.8
175.14830	17.3
177.05490	4.9
177.09166	2.1
177.16435	6.8
179.14351	1.8
180.08664	10.1
181.10161	2.1
183.11725	6.4
184.07462	1.8
185.09662	1.9
185.13281	12.5
186.13934	2.3
187.11154	2.3
187.14835	19.1
188.15288	1.5
189.09036	1.9
189.16388	30.1
191.14227	3.9
191.17944	25.8
197.13278	4.9
199.14832	6.0
201.12767	1.4
201.16397	14.4
203.10680	2.0
203.17935	17.7
205.08707	2.3
205.12267	3.4
205.15904	3.3
207.13802	2.8
211.02565	2.1
211.14896	3.7
213.16409	8.5
215.14255	2.3
215.17928	10.8
217.12152	3.0
217.15862	3.8
217.19533	3.1
219.13847	3.7
223.14885	2.7
225.16454	5.7
227.17841	8.5
229.19447	10.9
231.13835	2.9
233.15350	4.6
239.17891	10.4
241.19543	10.5
243.17570	2.3
243.21126	3.3
251.17889	2.1
253.19524	5.3
255.21065	7.5
257.19150	2.2
259.13205	1.8
259.16837	2.8
261.14749	2.6
261.18423	5.1
263.16418	4.8
265.19611	2.4
267.21057	3.9
269.18985	1.7
269.22549	1.8
271.16983	2.7
271.24081	1.7
273.18500	5.6
275.20053	2.3
277.14554	1.7
279.15875	2.0
279.21201	3.5
281.22540	4.1
285.18503	4.6
287.20117	1.8
289.17960	2.4
293.22714	2.5
295.20514	2.0
299.20111	2.1
301.21722	1.9
303.19659	5.6
305.17679	2.0
307.18927	3.5
313.21527	3.4
321.20621	5.3
327.23175	4.4
335.16309	1.6
339.23135	2.4
355.22607	2.5
367.17194	6.3
367.26266	2.3
369.15076	7.2
373.23477	2.8
375.25571	2.3
377.32108	14.0
381.28113	1.9
395.32892	7.3
397.34583	3.0
399.25275	2.3
400.63437	1.4
405.31436	5.2
423.32599	81.0
424.32843	11.4
429.17273	19.5
433.30905	1.6
441.33621	13.8
451.32074	18.2
452.32434	2.8
469.33115	90.9
470.33246	13.3
487.34088	15.8
607.36249	1.9
649.34894	3.1
666.35437	8.4
667.36603	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34302	0.1
55.05496	0.4
65.03911	0.6
67.05502	5.0
69.03410	0.4
69.07048	0.5
69.23122	0.7
69.23554	0.7
71.04969	0.2
79.05480	1.2
81.03395	0.4
81.07059	0.9
83.08607	0.2
85.02900	1.2
91.05460	0.5
92.05772	0.2
93.07060	0.9
95.04423	0.3
95.04969	3.6
95.08603	1.0
96.08968	0.2
97.02864	0.3
97.10117	0.2
103.05441	0.2
105.07017	1.0
106.07336	0.2
107.04928	0.7
107.08591	1.1
108.05700	0.2
109.02859	0.5
109.06527	0.2
109.10135	0.4
111.08070	0.2
117.03354	0.4
117.07025	0.2
119.08574	1.3
120.08910	0.2
121.10164	0.9
122.03692	0.2
123.04375	0.2
123.11702	0.3
125.09582	0.5
127.03902	0.2
129.06999	0.3
131.08524	0.8
133.06482	5.1
133.10126	1.0
135.04410	10.8
135.11696	0.4
136.04762	0.3
137.05959	0.2
137.09641	0.2
142.07831	0.2
143.08554	0.4
145.02818	0.6
145.10118	1.3
147.04411	0.2
147.11664	0.6
149.05916	0.3
149.13258	0.3
150.03081	0.6
151.03882	0.6
153.05446	0.6
157.10114	0.3
159.04399	0.3
159.11684	0.8
160.12025	0.2
161.09653	0.3
161.13191	0.4
163.03899	4.5
163.14787	0.3
165.05441	0.4
167.08574	0.2
168.04189	1.0
169.04579	0.2
171.11636	0.4
173.13206	0.6
174.13589	0.2
175.14795	0.5
177.05470	1.3
179.08392	0.2
181.04961	5.4
182.05336	0.3
183.06438	0.4
183.86684	0.2
185.13228	0.3
186.13618	0.2
187.14783	1.2
188.15132	0.3
189.09068	0.3
189.16357	0.5
193.04976	1.1
199.14833	0.6
201.16338	0.7
202.16545	0.3
203.17943	0.6
205.15852	0.7
209.15242	0.2
211.06009	0.4
211.14798	0.2
213.16284	0.4
215.17879	0.3
219.17525	0.2
221.09589	0.5
239.10698	0.4
241.08569	0.3
247.16853	0.3
251.06763	0.2
252.07796	1.5
253.08549	1.0
254.09256	0.5
267.10269	0.5
277.08551	0.2
280.07358	1.8
281.08072	5.7
282.08841	7.9
283.09192	0.8
295.09628	30.8
296.09930	2.6
297.11197	0.8
309.07526	2.3
310.08313	9.9
311.08649	0.7
325.10678	100.0
326.11014	7.2
329.10150	0.7
405.31473	0.5
406.32217	0.4
423.32242	0.3
434.31534	0.4
441.33408	0.3
451.32092	0.6
452.32309	0.5
667.20300	0.9
667.34570	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
71.33929	0.5
71.34351	0.4
76.17863	0.5
91.05496	0.6
98.10784	0.4
103.05486	1.8
105.07018	0.6
121.06509	0.5
123.04507	0.5
131.04958	1.5
137.05994	1.2
147.04382	0.5
149.06032	0.6
151.03940	0.5
163.03853	0.5
163.07574	1.1
164.08286	0.6
203.06876	0.6
205.04852	1.4
207.28535	0.5
219.06422	0.8
232.07007	0.5
250.58070	0.4
325.10715	1.9
330.15652	0.5
373.13092	0.5
425.00546	0.4
425.12305	2.7
440.14496	7.1
441.14996	1.6
523.06354	0.4
526.35010	0.4
538.15295	0.5
619.21521	0.9
667.23584	100.0
668.23871	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	667.3296
Annotation	strychnogucine B
Peak:m/z	Relative Intensity
53.03939	0.6
55.01855	0.7
55.05502	1.0
57.03434	1.8
61.02923	3.6
61.16567	0.4
67.05485	2.9
69.03426	2.4
69.07057	1.3
69.63191	2.6
69.86728	0.5
71.01343	0.7
73.02913	2.6
79.05495	3.2
81.03413	3.5
81.07060	3.4
83.04977	0.9
83.08617	1.1
85.02898	5.4
91.03949	2.4
91.05466	3.0
93.07040	3.2
95.04962	2.0
95.08607	1.8
97.02905	3.3
97.06492	0.7
101.02408	1.3
105.07024	2.2
107.04957	0.8
107.08602	2.2
109.02888	0.7
109.10137	0.9
119.08580	1.6
119.55920	0.4
121.10126	0.9
127.03903	2.0
129.06995	0.8
131.08571	1.0
133.10123	1.0
135.11674	2.7
135.42514	0.4
137.05960	1.3
145.10164	0.9
147.11665	1.4
149.09581	0.8
151.03882	1.2
157.10147	0.9
160.41531	0.5
163.03955	0.5
163.11226	0.6
175.11221	0.5
185.04250	0.7
193.12236	1.2
211.13319	0.9
221.11508	1.4
243.08464	1.9
251.12639	0.6
292.24805	0.5
302.56662	0.4
347.79153	0.5
367.17337	0.7
369.15128	0.7
429.17081	2.6
439.19412	4.7
469.20392	8.4
470.20987	0.9
648.44635	0.7
667.32965	100.0
668.33282	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	667.3659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.3
55.01879	0.3
55.05515	0.5
55.60102	0.3
57.03452	0.2
61.02931	0.3
67.05509	1.1
69.03446	0.5
69.07077	0.5
69.45208	0.6
69.45619	1.2
79.05505	0.8
81.03446	0.9
81.07056	1.2
85.02912	0.8
91.05489	0.6
93.07069	1.0
95.04964	0.6
95.08638	0.9
97.02899	0.4
101.02425	0.3
103.05498	0.6
104.68977	0.2
105.07059	1.1
107.08614	1.0
109.10152	0.5
117.07091	0.3
119.08604	1.0
121.10184	0.8
123.08158	0.2
123.11756	0.3
127.03928	0.3
129.07079	0.3
131.04939	0.3
131.08563	0.5
133.06631	0.3
133.10161	0.5
135.11748	0.6
137.06018	0.8
139.42914	0.2
145.10147	0.5
147.11693	0.5
149.06122	0.3
149.13205	0.4
151.03923	1.3
151.07578	0.7
157.10184	0.6
159.11755	0.5
161.06017	0.3
163.03938	0.3
163.07568	0.6
165.09016	0.3
173.13261	0.3
175.14822	0.3
177.05557	0.6
181.04962	0.3
185.04179	0.3
185.53983	0.3
187.07532	0.4
189.16579	0.3
219.10396	0.4
245.50967	0.3
261.18369	0.3
267.12033	0.5
307.15262	0.3
309.13248	1.0
313.10724	0.4
319.13443	0.3
339.14371	0.9
367.17261	6.8
368.17886	0.4
369.15186	7.0
370.15631	0.6
411.16223	2.4
429.17313	20.1
430.17889	1.1
439.19110	1.3
453.21222	0.4
469.20828	0.7
568.73981	0.3
587.35535	0.7
605.36639	2.8
607.34644	1.2
649.24799	0.4
649.35406	2.7
650.36334	0.3
667.36597	100.0
668.36969	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	667.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52836	0.5
53.03925	0.9
55.05505	3.1
57.07070	1.2
66.84377	0.5
67.05505	4.2
69.07066	4.4
69.47710	2.4
79.05486	3.3
81.07050	10.9
83.04961	0.6
83.08619	4.2
85.06530	0.8
89.03909	6.9
91.05463	3.8
93.07037	8.1
95.04981	0.7
95.08601	17.5
97.10175	0.7
98.22619	0.7
101.06039	0.6
103.05445	1.0
105.07029	6.6
105.29285	0.6
107.08585	12.8
109.10136	7.5
109.78137	0.5
117.03375	16.8
117.06993	1.0
117.73324	0.5
119.08584	6.9
121.10137	10.5
123.11678	4.2
129.06987	1.4
131.08577	2.0
133.10127	6.4
134.03627	1.3
135.04424	1.8
135.11682	11.4
136.11986	0.7
137.05963	0.8
137.13266	5.8
143.08537	2.0
145.02844	46.1
145.10121	2.9
146.03156	1.4
147.11679	4.8
149.05969	7.1
149.13254	12.7
150.13547	1.1
151.07547	0.6
151.14807	0.9
153.05545	1.0
155.08514	1.6
157.10106	2.2
159.11668	3.4
161.13226	3.2
163.03929	2.8
163.14801	1.5
169.10107	2.6
171.11693	5.0
173.13263	1.8
175.11116	0.6
175.14787	0.8
177.05460	100.0
177.16385	10.3
178.05783	4.3
181.10086	1.0
183.11731	2.3
185.13225	3.2
187.11185	0.9
187.14851	1.3
189.12759	2.0
189.16339	3.7
191.14334	0.7
191.17934	2.7
195.06531	32.4
195.11668	1.5
196.06862	1.4
197.13243	1.5
199.11139	0.8
199.14790	1.6
201.12675	0.7
201.16420	1.9
203.10632	0.8
203.14345	2.1
203.17946	8.6
204.18269	0.8
205.12111	0.6
205.15982	0.7
205.19493	1.0
213.12724	2.0
213.16302	1.1
215.14246	1.0
215.17841	0.8
217.19458	1.2
223.14859	1.2
225.16328	1.1
229.12270	0.7
231.13887	0.8
235.13158	0.7
237.16393	0.7
239.12674	0.9
241.15921	1.1
243.13771	0.9
253.12221	0.6
253.15799	0.7
255.17369	0.7
257.15479	0.9
259.13370	2.3
273.61743	0.6
277.14301	0.7
283.20505	1.0
287.16354	2.0
305.17499	1.1
313.17679	0.6
331.18933	1.0
343.22617	0.9
362.79596	0.8
365.28317	0.6
373.24063	0.7
391.29950	2.5
409.30920	2.6
411.29279	1.0
419.29208	1.3
427.31918	0.7
429.29788	1.6
437.30475	4.1
438.31100	0.7
455.21835	0.7
455.31558	13.2
456.31680	1.4
667.35431	12.3
668.36230	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84757	3.5
55.05503	12.5
57.07068	17.0
58.01217	4.6
65.03929	3.6
65.58597	3.9
67.05501	11.7
69.03432	4.2
69.07066	10.7
69.69983	12.1
69.70385	8.6
70.05437	3.4
71.04996	9.4
79.05492	15.4
81.07060	27.7
83.08624	5.0
85.06547	5.2
91.05479	41.5
93.07059	21.2
95.04972	5.3
95.08602	12.0
97.06530	6.3
97.10120	3.8
105.07033	79.8
106.07374	6.2
107.08598	22.9
109.06514	7.1
109.10172	9.5
111.08086	5.8
113.06010	5.3
117.06149	3.3
117.07028	7.5
119.08587	18.8
121.06522	7.8
121.10152	20.1
123.11750	7.5
131.08568	12.4
133.10139	73.3
135.11716	9.4
136.57007	4.5
137.09584	8.1
139.11185	15.4
141.12785	6.6
143.08574	6.5
145.10139	7.5
147.08008	6.6
147.11703	7.1
149.09584	7.8
153.05505	10.4
157.10144	5.5
159.11707	9.3
163.07507	5.0
165.09113	5.7
167.10677	9.8
175.07550	9.8
175.14830	5.5
179.07106	6.6
189.09137	4.0
189.16348	4.1
191.07051	14.6
193.08586	13.3
194.12669	3.8
205.08653	4.9
211.09628	19.4
215.06964	3.8
217.12161	4.6
221.15382	4.7
223.09610	7.6
229.08621	6.8
235.13330	6.7
237.14821	17.3
243.10150	10.6
244.10953	8.2
245.11717	11.9
246.12503	4.0
247.09659	8.8
257.11667	10.0
261.11182	8.4
263.12814	4.9
269.11935	5.7
273.11194	17.9
273.14719	6.2
283.13351	4.1
291.12241	33.4
297.11252	4.5
297.14838	4.8
299.16345	10.1
301.10641	8.4
315.12149	7.2
325.18002	5.1
327.15823	13.4
343.18994	17.4
345.16956	36.8
359.53461	4.1
361.20444	5.7
369.16815	9.1
413.23187	13.8
427.20691	5.2
429.22815	24.1
430.22989	7.2
431.24704	25.7
467.28394	4.6
485.28842	16.2
509.25006	17.9
527.26422	100.0
527.34259	5.5
528.26678	9.2
551.33282	4.9
579.32941	11.9
593.30957	5.1
631.36957	6.3
649.37341	35.0
650.37030	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	667.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	1.1
52.94670	0.8
53.03948	1.8
53.55211	1.0
55.01871	3.3
55.05508	9.5
57.03428	1.0
57.07083	2.4
59.04989	1.3
64.66641	0.9
65.03944	1.9
67.05505	6.4
69.03421	2.5
69.07055	3.7
69.28768	6.5
71.05009	5.3
74.08118	0.8
77.03893	0.8
79.05492	11.8
81.07068	9.0
83.01326	1.2
83.04993	1.9
83.08632	1.3
85.06543	1.6
90.82908	0.8
91.05478	54.6
92.05809	1.3
93.07048	16.2
95.04962	3.6
95.08604	6.4
97.06509	2.2
100.50812	0.8
102.38599	0.8
103.05482	3.8
105.07025	100.0
106.07359	3.7
107.04967	1.3
107.08589	36.3
108.08972	1.0
109.06519	3.5
109.10121	4.8
111.08112	1.0
113.06004	5.2
115.05493	1.4
117.07018	4.3
118.07848	1.1
119.07742	1.7
119.08570	16.7
121.06496	4.0
121.10136	7.7
122.43918	0.9
123.04382	0.9
123.08064	2.1
123.11693	2.6
125.09606	4.1
129.06982	1.2
131.08536	7.5
133.10124	79.0
134.10442	1.7
135.08054	3.7
135.10640	1.3
135.11684	24.2
136.11966	1.5
137.05969	3.8
137.09613	5.7
139.03871	4.5
139.11174	4.9
141.05508	2.0
141.06972	0.8
142.07803	1.1
143.08577	2.9
145.10123	3.3
147.08032	3.7
147.11682	3.1
149.05972	1.4
149.09596	3.1
149.13336	1.6
150.10382	1.0
151.07487	1.4
151.11153	2.4
153.05463	10.0
153.12724	1.6
155.07088	1.0
156.09428	1.1
157.10129	4.6
158.10869	1.0
159.11693	10.2
161.09573	2.1
161.13210	1.4
163.07553	3.7
163.11195	1.2
163.14870	0.9
165.05510	1.0
165.09125	6.0
165.12654	1.3
166.92010	0.9
167.10677	2.3
171.11713	2.4
173.06015	0.9
173.09557	1.4
173.13249	2.7
175.07521	4.7
175.11156	2.5
175.14780	4.5
177.05460	5.3
177.09081	1.1
177.12740	13.2
178.06178	1.3
179.07054	1.6
179.10727	0.9
185.13255	1.2
189.09082	2.0
189.12758	1.4
191.06989	6.6
191.10828	1.4
191.14378	1.6
193.08592	13.4
193.10188	1.4
195.13792	24.9
196.14111	1.3
199.14828	3.6
201.09103	1.2
203.07083	1.3
203.10632	1.4
203.14352	2.0
205.08598	3.7
207.10068	1.3
209.08035	6.2
209.15358	2.0
211.09622	25.9
213.09193	1.7
213.12764	1.2
215.10693	1.9
217.08607	1.8
217.15840	11.5
218.16217	1.1
219.10190	1.6
221.08136	2.0
223.09579	3.0
227.10629	1.2
229.08510	4.7
229.12129	1.2
230.09334	1.5
231.10101	2.3
231.13713	2.1
233.11771	1.2
235.13321	2.0
235.16917	28.0
237.14839	7.9
239.10909	1.0
243.10211	3.9
244.11159	1.0
245.11707	3.2
247.09705	2.0
249.10980	1.3
255.13934	1.9
257.11777	2.1
259.09711	1.4
261.11145	2.0
263.12741	2.0
265.14435	1.8
269.11700	1.0
273.11218	2.6
273.14902	7.2
274.15106	1.5
275.12738	1.1
277.10776	4.8
277.13953	1.2
281.67960	0.9
283.09470	1.2
283.16678	1.0
285.14859	1.9
287.12698	1.7
291.12357	5.2
299.16342	1.4
313.14368	2.0
317.17548	1.2
325.17932	3.6
327.15942	2.2
330.03928	1.0
331.15356	2.8
343.19052	14.0
344.19046	1.2
345.17059	4.6
355.15033	1.0
355.19186	1.2
361.20111	2.1
376.18924	0.9
395.22406	2.0
397.23694	4.3
413.23282	6.0
427.21039	1.5
429.22626	6.2
431.24390	26.1
431.30438	1.2
432.24640	3.0
449.27081	1.1
485.28766	3.7
495.24268	0.9
497.25262	2.2
509.25198	1.0
509.28555	0.9
513.24945	6.0
527.26337	11.4
528.26874	1.2
535.19958	0.9
551.33759	1.4
561.31989	3.4
579.33118	22.1
580.33154	3.6
613.34882	1.3
631.35907	4.0
649.37421	11.5
650.37292	2.7
667.37244	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	667.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	2.4
55.01869	2.3
55.05511	9.9
57.07084	7.4
59.05010	2.1
61.19930	1.4
61.23778	1.4
61.41237	1.2
65.03935	3.2
67.05510	8.8
69.03433	3.5
69.07059	5.5
70.56667	2.9
70.57066	2.7
71.04978	4.2
79.05499	12.1
81.07050	13.6
83.04997	1.6
83.08609	3.0
85.06529	2.8
91.05485	51.2
92.05804	1.6
93.07040	14.3
93.77272	1.4
95.04955	5.7
95.08623	7.4
97.06534	5.2
98.22603	1.5
103.05474	3.9
105.07032	100.0
106.07367	1.8
107.04939	2.3
107.08592	9.8
109.06538	4.2
109.10152	4.7
111.08060	1.5
111.36343	1.5
113.06002	5.9
113.50544	1.4
117.07034	3.8
119.08569	5.8
121.06522	2.1
121.10157	8.5
123.04427	1.9
123.08061	3.0
123.11729	3.9
125.06035	2.0
130.08640	1.6
131.08578	9.4
133.06505	1.6
133.10133	76.9
134.10405	2.2
135.08049	2.8
135.11693	3.0
137.06007	4.2
137.09566	3.6
139.11176	11.6
141.12758	8.2
142.07822	1.7
143.08575	1.9
145.10120	4.0
147.07979	2.0
147.11658	3.6
149.05969	1.7
149.09618	4.5
149.13187	1.7
153.05463	11.5
155.07101	1.3
157.10146	2.8
159.08125	4.0
159.11632	1.8
161.09645	3.5
161.13261	1.8
162.06674	1.8
163.07581	2.7
165.09171	6.9
167.10684	5.8
171.11823	2.3
173.09608	2.4
175.07549	7.0
175.11169	2.6
175.14738	1.7
177.05542	2.7
177.09113	2.2
179.07126	1.8
185.09557	1.6
187.11209	2.2
189.09030	1.7
189.12694	1.7
191.07022	5.9
191.14349	2.3
193.08575	16.5
202.16707	1.7
203.07057	5.1
203.10670	3.3
205.08578	5.6
207.06512	3.6
207.10136	2.3
209.08110	4.0
209.15349	2.6
211.09624	23.8
211.11363	2.2
213.09192	1.8
213.12828	3.1
217.12135	3.4
217.15996	2.0
219.10130	2.4
219.13768	1.5
223.09692	5.6
225.11063	1.6
229.08565	4.1
229.12120	2.6
231.10109	7.4
231.13811	3.1
233.11658	1.9
235.13474	1.8
235.16751	1.8
237.14839	14.1
238.15154	1.9
242.09424	1.7
243.10231	4.7
244.10948	2.9
245.11768	12.7
247.09712	6.0
249.14795	2.0
255.10179	2.8
255.13860	2.9
257.11734	4.5
257.15417	2.0
259.09641	2.8
261.11194	4.6
263.12775	8.1
265.14383	2.1
269.11575	2.4
273.11234	17.8
273.14828	10.6
275.12714	1.9
277.10760	5.2
278.43530	1.5
283.13290	2.7
284.46576	1.8
285.11295	2.1
285.14645	1.6
287.12799	1.9
291.12283	31.9
292.12668	4.0
297.11182	1.5
299.13297	1.7
299.16379	8.6
300.69904	1.5
303.15820	1.8
313.14059	2.8
317.17386	3.7
325.18054	6.7
327.15793	8.9
329.17615	3.6
331.15344	3.6
333.20578	1.9
343.19022	13.2
344.19324	2.3
345.16949	10.3
361.20078	3.9
397.24057	2.9
413.22891	9.4
427.21295	2.2
429.22339	8.5
431.24319	27.9
432.24582	2.0
443.20236	1.8
450.52017	1.5
509.25232	10.5
513.25165	10.3
527.26392	54.4
528.26587	7.7
561.31921	2.4
579.32971	13.4
580.33490	2.3
631.36853	8.2
649.37366	11.1
667.46393	9.2
668.38629	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	5.7
57.07069	1.9
65.03946	0.9
67.05506	8.5
69.07063	7.6
70.84222	2.0
71.04976	1.0
79.05504	4.8
81.07056	18.4
83.08629	7.9
89.03912	7.4
91.05481	5.4
93.07048	12.8
95.04969	1.4
95.08605	32.8
97.10182	2.1
105.07030	13.8
107.08592	23.9
109.10148	13.2
117.03377	21.0
117.07035	1.8
119.08572	21.5
121.10147	21.3
123.11696	8.5
131.08557	5.2
133.10109	12.0
134.03609	1.7
135.04410	1.1
135.11697	14.6
137.13268	6.9
141.54170	1.0
143.08566	2.7
145.02844	49.1
145.10126	7.7
146.03188	1.2
147.11673	13.5
148.11902	0.9
149.05984	8.0
149.13257	11.4
149.71361	1.2
151.14854	1.5
153.05457	1.4
156.56372	1.0
157.10139	1.9
158.05888	0.9
159.11684	6.3
161.13268	7.6
163.03929	2.7
163.14827	7.2
164.02760	1.0
165.12737	1.1
171.11688	4.5
173.13272	6.2
175.14827	8.2
177.05469	100.0
177.16385	20.9
178.05840	4.4
178.16769	1.0
185.13223	2.4
187.14783	4.9
189.16367	23.0
190.16753	1.6
191.17992	6.0
195.06520	30.8
196.06938	1.2
197.13136	1.1
199.14816	3.1
201.16338	8.8
203.17963	21.6
204.18359	1.0
205.12328	1.3
205.19553	1.9
207.17448	2.4
213.16330	11.0
215.17943	5.2
217.19499	4.1
221.15404	1.0
231.17552	1.6
235.17015	2.8
241.19528	1.5
247.16992	2.0
249.18532	2.4
255.21266	1.2
259.16827	7.0
260.17096	1.1
261.18668	1.7
287.20001	1.3
290.20651	1.0
301.21399	1.1
391.33447	4.3
392.34070	1.1
409.34741	8.0
411.32486	11.2
412.32639	1.3
437.34161	14.8
438.34387	1.8
455.29346	1.7
455.35251	25.3
456.35822	4.4
667.37994	4.2
667.47040	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	667.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	6.0
57.07085	1.8
59.69446	0.6
62.89691	0.7
67.05508	7.0
69.07076	5.7
69.14953	6.9
74.44341	0.7
74.44764	0.7
79.05482	4.7
81.07054	11.7
83.08620	5.7
89.03926	3.7
91.05480	5.7
93.07043	11.9
95.08607	22.1
97.06553	1.0
97.10208	2.2
105.07019	11.5
107.04976	0.8
107.08590	15.9
107.09227	1.0
109.06584	1.1
109.10173	10.6
117.03382	12.2
117.04055	0.9
117.07023	1.4
118.03815	1.1
118.07328	0.8
119.08589	18.1
119.09411	1.2
120.08908	0.8
120.69666	0.8
121.10143	17.5
123.11714	5.3
125.09648	1.2
129.07048	1.1
131.08559	3.9
133.10130	10.6
134.10541	1.1
135.04465	0.8
135.11699	9.3
137.06010	2.6
137.09648	0.8
137.13335	3.3
143.08617	2.4
145.02846	32.1
145.10112	6.7
146.03223	2.2
147.11679	9.1
147.12706	0.9
149.05997	5.8
149.13258	8.5
151.03947	1.8
151.07603	1.4
151.14938	1.1
153.05479	1.1
157.10255	2.1
159.11659	6.4
161.13278	5.6
163.03972	1.2
163.14844	5.2
171.11795	2.2
173.13258	4.7
175.14804	8.8
177.05475	69.9
177.16388	15.5
178.05864	6.5
185.13309	1.6
187.14793	5.4
189.16368	21.4
190.16850	1.5
191.17981	5.2
195.06522	21.5
196.00014	0.9
197.13333	1.0
199.14919	3.0
201.16415	8.1
202.16736	1.6
203.17964	18.2
204.18454	1.3
205.16002	1.4
207.17509	2.1
211.14778	0.9
213.16367	7.8
215.17976	7.0
217.19681	2.8
227.18159	1.6
227.51973	1.1
229.19547	1.3
231.17583	1.7
235.17039	2.0
239.18108	1.5
241.19620	2.1
243.21150	1.3
247.17078	1.7
249.18689	2.6
259.16940	5.4
261.18771	1.9
287.20090	1.1
292.80969	0.9
313.10718	1.1
327.23602	0.8
329.24664	1.2
365.32169	1.0
391.33820	3.3
409.34430	6.1
411.32349	5.6
412.33566	1.1
437.34155	18.0
437.39847	1.0
438.34741	1.6
455.35223	5.5
511.33932	1.0
667.38281	4.9
667.47797	100.0
668.48071	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	667.4199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
54.36497	1.0
55.05502	4.5
57.07073	1.2
67.05506	7.1
69.07073	8.8
70.94528	1.8
73.37616	0.8
79.05488	7.2
81.03396	1.5
81.07049	14.8
83.08628	6.2
89.03918	6.7
90.11088	0.7
90.19604	0.8
91.05477	7.9
93.07044	14.3
95.04948	2.1
95.08612	25.8
96.08933	1.9
96.26623	0.9
105.07036	10.0
107.04957	1.1
107.08593	22.1
109.06477	1.2
109.10164	11.1
117.03375	17.6
117.06992	1.4
119.04953	1.8
119.08575	15.1
121.06534	1.1
121.10147	22.4
123.11716	5.6
131.08549	5.3
133.10136	11.2
134.03647	2.1
135.04431	2.0
135.11690	11.6
137.06012	2.7
137.13228	5.5
143.08591	2.7
145.02847	49.8
145.10144	6.0
146.03192	2.3
147.11678	8.3
149.05962	7.4
149.13254	14.6
151.03966	1.1
151.07544	3.6
151.14806	2.6
153.05473	1.2
153.09061	2.0
157.10138	2.8
159.11679	5.1
161.05966	1.0
161.13275	7.7
163.03926	3.2
163.07611	1.1
163.14796	4.9
171.11734	3.9
173.13246	4.6
175.14828	7.4
177.05470	100.0
177.16382	21.2
178.05829	3.8
178.16710	1.1
179.10768	1.0
183.11697	1.2
185.13293	1.5
186.05467	1.4
187.14859	4.1
189.09079	2.3
189.16368	14.8
191.10617	1.3
191.17995	4.0
195.06525	28.2
196.06750	1.3
199.14821	1.7
201.16330	6.3
203.10591	2.2
203.17947	16.7
204.18251	1.6
205.15860	1.6
205.19487	1.3
207.17450	1.4
213.16370	7.3
215.17883	5.0
217.19513	3.6
219.17496	2.1
229.19565	1.8
231.17441	3.8
235.16920	1.2
239.18062	1.5
241.08376	0.9
241.19591	1.9
245.15311	1.0
249.18538	1.7
253.19716	1.0
259.16895	3.4
261.18469	2.0
263.10590	1.1
267.21231	1.0
269.07739	1.0
277.08499	1.2
277.18021	6.3
283.09637	1.2
284.10425	1.5
287.20117	2.7
305.21109	1.2
313.10645	3.0
313.21561	0.9
338.15030	1.1
391.33575	3.8
409.34583	5.6
411.32602	6.3
412.32861	1.4
437.34128	15.3
438.34610	2.4
455.35291	15.8
456.35428	1.2
527.37274	3.4
579.38684	0.9
667.33069	1.4
667.44971	14.5
668.43933	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	667.42
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
55.05516	2.7
57.07073	1.1
63.02374	0.7
65.03923	0.8
67.05506	4.8
69.07066	5.4
69.77782	0.8
69.78191	1.8
76.64876	0.4
77.03968	0.5
79.05495	4.1
81.07059	11.6
83.04981	0.5
83.08617	2.8
89.03911	7.1
91.05473	4.6
93.07046	9.6
94.07390	0.5
95.04944	1.0
95.08606	16.7
96.08929	0.5
97.10162	0.7
103.05462	0.5
105.07025	7.6
107.08598	13.2
108.08929	0.6
109.10155	7.9
115.05450	0.4
117.03378	18.4
117.07013	1.1
118.03713	0.6
119.08575	6.9
119.18826	0.3
121.10149	10.9
122.10521	0.5
123.11713	4.4
125.05945	0.5
125.09628	0.5
129.07004	0.4
131.07716	0.5
131.08569	3.1
132.08926	0.5
133.10133	7.4
134.03656	1.9
135.04427	2.0
135.11694	12.3
136.11942	0.6
137.05984	1.3
137.13246	5.0
137.14201	0.6
143.08577	1.3
145.02846	48.2
145.10112	3.6
146.03177	2.3
147.04478	0.4
147.11687	5.2
149.05977	8.9
149.13258	9.2
150.13644	0.7
151.03900	1.5
151.07535	0.6
151.11166	0.5
151.14813	1.2
153.05443	0.6
157.10133	1.5
159.11714	3.2
161.13246	5.1
162.03094	0.6
162.13351	0.4
163.03955	3.8
163.07541	0.4
163.14824	1.9
171.11714	1.8
173.13251	3.2
175.14838	3.2
177.05469	100.0
177.16383	8.7
178.05815	5.2
178.16794	0.6
179.05910	0.5
179.14310	0.5
183.11772	0.5
185.13272	1.6
186.05490	1.2
187.14844	2.1
188.08241	0.4
189.09117	0.5
189.16399	4.2
191.14287	1.9
191.17926	2.3
193.15854	0.6
195.06528	35.3
196.06871	2.1
199.14818	2.0
201.16388	5.6
203.10675	0.6
203.17946	10.4
204.18256	0.6
205.15884	0.7
211.14937	0.6
213.03629	0.7
213.16406	1.4
215.17970	2.7
217.15984	0.7
217.19504	2.1
219.17416	1.1
225.16460	0.6
227.17943	0.8
229.15817	0.6
229.19516	1.5
231.17477	0.8
239.17992	0.7
241.19511	1.0
243.21100	0.6
247.17024	1.6
255.21063	0.6
259.16983	0.7
259.20599	0.9
273.22070	0.5
275.20068	0.6
277.17975	1.6
287.19937	0.5
297.45715	0.4
299.20090	0.7
310.56555	0.4
313.10669	1.4
313.21609	0.5
379.33511	0.7
383.32983	1.0
391.33539	1.1
409.34641	10.3
410.34879	1.2
425.34085	2.6
427.35699	0.9
437.34061	1.7
455.35184	6.9
456.35440	0.8
557.06030	0.4
667.35443	3.1
667.45599	2.5
668.44141	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11260	0.4
53.03929	0.6
55.05512	2.9
57.03394	0.5
57.07058	1.7
65.03928	0.7
65.97643	0.4
67.05508	5.0
68.81343	0.4
69.07064	5.0
71.31710	0.5
77.03946	0.5
77.09138	0.4
78.04718	0.5
79.05489	4.4
81.06564	0.6
81.07054	12.3
83.08622	3.5
89.03912	6.7
91.05470	5.0
93.07039	9.9
94.07372	0.4
95.04974	0.8
95.08601	19.2
96.08925	0.6
97.10155	1.1
103.05470	0.9
105.07027	8.5
106.04236	0.4
107.04952	0.6
107.08593	14.3
109.06508	0.6
109.10158	8.3
111.04417	0.5
111.11674	0.5
117.03371	20.2
117.07009	1.3
119.08568	8.2
120.08891	0.8
121.06509	0.6
121.09270	0.8
121.10139	12.5
122.10472	0.5
123.11702	4.9
125.06005	0.6
129.06989	1.3
131.08562	4.5
133.06404	0.5
133.10124	8.6
134.03615	2.0
135.04388	2.0
135.11684	12.8
136.12047	0.6
137.05951	1.0
137.13245	6.5
143.08580	2.6
145.02840	46.9
145.10107	4.4
146.03166	1.9
147.04417	0.6
147.08035	0.4
147.11662	7.0
149.04865	0.8
149.05983	10.0
149.13243	11.1
150.13557	0.4
151.03873	1.6
151.07530	1.3
151.14810	1.5
153.05380	1.2
155.08575	0.5
157.06462	0.5
157.10149	1.7
159.08095	0.6
159.11703	3.7
161.13248	6.0
162.03137	0.8
162.13664	0.5
163.03899	4.0
163.07542	0.9
163.14764	2.4
165.12772	0.7
167.26854	0.4
169.10172	0.7
171.11682	3.0
173.09601	0.6
173.13232	3.4
175.14845	2.9
177.05461	100.0
177.16376	8.5
178.05777	4.7
178.16821	0.6
179.14340	0.5
179.17929	0.7
180.71695	0.4
183.11670	0.9
185.13318	1.0
186.05487	0.9
187.14787	2.9
188.08089	0.4
188.43945	0.4
189.12785	0.5
189.16325	3.7
191.10556	0.6
191.14287	2.7
191.17946	3.7
193.15926	1.3
195.06519	37.7
196.06836	1.9
197.04276	0.9
197.13239	0.7
199.14874	2.0
201.16386	4.6
203.10629	0.9
203.17940	11.1
204.18330	0.5
205.12175	0.5
205.15851	0.8
205.19516	0.9
207.13887	0.5
211.14822	0.9
213.16322	3.1
214.17015	0.5
215.17966	3.0
217.12387	0.7
217.15857	0.8
217.19514	2.7
219.10168	1.2
219.13824	1.4
219.17480	0.6
221.18886	0.5
225.16338	0.9
227.17924	0.7
229.15912	0.6
229.19505	1.0
231.17500	2.7
233.15431	0.7
234.10236	0.5
239.17937	0.8
241.19482	1.4
243.21097	0.6
245.15271	0.5
247.16872	0.7
253.19604	0.6
255.21042	0.9
259.16904	2.4
259.20557	1.0
267.20920	0.5
277.17850	2.1
285.22238	0.6
287.20001	0.9
288.66061	0.4
299.08966	0.4
351.30362	0.6
359.25897	0.6
365.31818	0.8
367.29868	0.7
383.32959	1.5
391.33508	1.9
409.34622	11.3
410.34937	1.3
411.32397	0.6
425.34155	0.6
427.35556	1.5
428.34964	0.4
437.34070	2.5
455.35165	8.6
456.35492	1.1
667.36060	10.8
667.46857	5.3
668.37189	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	668.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60534	1.0
53.03932	1.6
55.05506	11.3
55.16379	1.1
57.03437	8.0
57.07074	12.2
61.02922	25.2
61.03232	1.8
61.64351	1.1
65.03935	2.1
65.11483	1.0
67.05501	63.3
68.05844	1.7
69.03422	4.1
69.07059	17.6
69.19611	9.7
71.02795	1.0
71.04976	2.6
71.08620	3.5
73.02918	10.3
79.05485	17.8
81.07052	73.9
82.07401	1.3
83.04960	2.2
83.08613	12.9
85.02900	30.8
85.06544	7.2
85.10173	2.9
87.13742	1.3
88.76168	1.1
91.03954	24.9
91.05480	17.4
93.07040	19.1
95.08598	63.1
96.08955	2.4
97.02879	12.7
97.06522	7.7
97.10157	6.4
99.04414	1.9
99.08102	7.0
105.07011	11.7
107.08585	14.3
109.10152	24.7
111.08073	3.2
111.11717	1.7
113.09617	7.6
115.03894	1.3
115.45302	1.3
116.27829	1.1
119.08578	16.2
121.10153	17.4
123.08093	1.9
123.11703	18.5
125.09573	2.3
127.03906	8.4
127.11141	5.9
128.57382	1.1
131.08578	1.4
133.10117	20.7
135.11684	19.4
135.12636	1.8
135.29771	1.1
136.12032	1.5
137.09569	1.6
137.13257	18.3
139.11179	1.8
141.12822	1.3
143.10728	1.3
145.04948	13.4
147.04439	1.3
147.11668	12.2
149.13278	5.0
151.11189	3.6
151.14796	14.4
152.15233	1.5
153.12714	2.1
159.11699	2.0
161.13239	14.2
163.05988	17.1
163.14871	1.3
165.12703	1.4
175.14888	6.8
181.05092	1.3
183.11682	1.2
189.16350	3.7
190.19389	1.5
217.19496	74.8
218.19765	6.0
235.20554	100.0
236.20921	7.3
240.90196	1.3
253.21603	2.6
309.24210	42.7
310.24551	3.2
327.25195	9.6
345.89270	1.2
471.29352	4.4
668.38586	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	7.1
55.01877	4.3
55.05512	21.5
59.78862	3.3
67.05507	22.6
69.03436	10.7
69.07066	24.0
69.35271	26.9
77.74718	3.4
79.05482	24.0
81.03430	9.4
81.07063	55.9
81.07519	6.1
83.04994	8.4
83.08607	3.8
85.02912	24.7
85.06540	9.8
89.65845	3.3
91.05469	34.8
91.05920	3.4
93.07043	66.8
95.08617	83.0
96.08859	3.6
97.02892	12.3
97.06528	4.4
97.10143	7.3
98.22591	3.9
101.06036	9.9
103.05475	9.2
105.07040	83.1
106.07359	4.6
106.29946	3.9
107.04948	4.4
107.08597	62.0
109.02892	5.3
109.06559	4.3
109.10168	38.6
111.08115	12.7
117.07026	13.8
119.08581	73.9
121.06521	5.4
121.10138	63.7
122.10471	3.9
123.11751	14.2
125.05988	7.9
127.03925	10.7
129.07036	11.2
130.07762	4.4
131.08565	61.2
133.10136	64.4
135.08093	4.8
135.11717	29.9
137.06012	15.0
137.09602	5.0
141.07050	5.7
142.07814	6.0
143.08566	26.3
145.05145	3.8
145.06471	4.6
145.10124	76.0
147.08078	6.1
147.11681	55.9
149.09605	8.4
149.13248	80.1
151.03940	7.3
153.01837	5.9
155.08554	16.3
157.10162	26.6
159.08026	4.7
159.11684	66.5
161.09654	6.2
161.13251	41.2
163.11180	7.7
163.14873	10.2
165.09149	4.5
165.12794	8.1
167.07068	4.4
168.09378	7.7
169.10162	14.9
170.10811	4.9
171.11685	33.5
173.13268	73.5
174.13591	3.8
175.07610	6.4
175.11192	22.0
175.14801	32.1
177.12793	11.5
177.16373	79.6
181.05026	3.8
183.11697	55.7
185.09589	8.9
185.13251	78.1
187.11203	12.7
187.14821	39.4
189.12788	5.9
189.16377	97.9
189.18008	6.8
190.16789	4.8
191.79028	3.5
193.15903	27.4
195.11699	4.9
197.13300	12.9
199.14810	22.2
201.12704	25.5
201.16350	23.6
203.10591	4.7
203.14346	16.0
205.12314	5.9
205.15865	43.6
207.14029	4.3
207.17447	72.9
208.17751	6.9
209.13335	5.9
211.14949	5.8
213.16455	15.9
215.18066	9.1
217.12207	6.5
219.13863	6.6
219.17577	4.1
221.11737	11.0
221.13483	5.4
221.39259	4.9
223.14714	5.5
223.16884	4.3
225.16541	5.8
229.12207	13.4
229.16029	4.1
231.13806	39.3
231.17516	7.8
233.11618	8.7
233.15392	10.0
235.15047	5.8
237.16504	8.0
239.12766	39.0
247.13197	19.0
251.12651	4.7
265.14270	4.9
279.17273	3.9
298.08087	3.9
325.10544	5.4
327.08441	5.6
328.08804	6.3
359.27316	9.5
361.28653	3.9
371.27469	8.5
377.28381	23.5
389.28336	23.8
395.25723	8.8
405.27957	20.6
407.29639	18.8
413.26685	8.3
417.27866	17.9
423.28882	68.2
424.29330	5.3
425.30591	9.5
435.28998	53.6
436.29227	12.4
441.29999	10.9
453.29993	100.0
454.30353	10.5
471.31088	31.2
506.13583	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	668.4
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.6
55.01879	2.1
55.05502	11.2
56.85851	2.3
57.03439	3.2
57.07077	3.5
60.12517	2.4
61.02917	5.2
65.03941	2.8
67.05511	15.7
69.03430	13.8
69.07074	13.0
69.37449	16.2
70.38813	2.4
71.05003	6.0
72.76738	2.1
79.05492	14.1
81.03422	8.2
81.07064	27.5
83.08636	6.3
85.02904	35.8
85.06548	17.4
91.05486	23.1
93.07048	39.7
95.04984	4.0
95.08011	4.0
95.08607	37.3
97.02918	13.6
97.10170	5.5
100.06844	2.3
103.05486	2.6
105.07034	31.8
107.04906	4.4
107.08601	44.0
109.02834	4.5
109.06551	2.9
109.10154	31.4
111.08074	6.7
115.05464	2.8
117.07024	12.3
119.08581	53.4
121.06508	2.6
121.10146	49.3
123.08065	4.4
123.11736	15.7
127.03947	5.1
129.07002	10.9
131.08562	32.5
133.06526	2.9
133.10118	48.0
133.11026	3.5
134.10492	2.7
135.04503	2.4
135.08005	3.7
135.11694	34.2
137.06003	8.3
137.09656	5.7
137.13326	5.4
139.11238	2.4
141.07024	3.2
143.08575	14.5
144.09340	3.5
145.04945	3.1
145.10120	50.2
147.04495	2.6
147.11691	32.0
149.05983	2.9
149.09621	6.6
149.13283	17.4
151.03984	4.4
151.11269	4.8
153.01840	4.1
155.08524	11.2
156.09344	4.2
157.10110	29.3
159.11702	50.4
161.05984	4.2
161.09647	7.3
161.13274	25.3
163.03925	3.0
163.11183	34.0
163.12463	3.2
163.14859	9.6
165.09184	3.3
165.12787	8.6
167.07056	7.0
169.10039	12.0
171.11705	22.2
173.09654	3.7
173.13261	29.4
175.03871	3.1
175.07565	3.8
175.11224	8.1
175.14796	18.9
177.12747	19.9
177.16370	14.1
179.14323	4.5
181.10089	5.2
181.12248	3.5
182.11006	3.1
183.11714	18.2
184.12190	3.1
185.13257	22.3
187.11290	5.4
187.14828	20.6
189.09097	4.2
189.12778	9.0
189.16393	13.1
191.14308	10.9
191.17908	4.0
193.15881	3.3
195.10158	4.3
195.11737	9.7
195.13631	12.1
197.13231	11.8
199.11182	5.0
199.14825	16.7
199.35165	2.1
201.12785	17.0
201.16399	11.2
203.14346	5.4
203.18109	5.8
205.12128	2.8
205.15900	38.9
205.17732	4.1
207.06561	3.7
207.11844	3.0
207.13834	4.0
207.17513	5.2
208.24693	2.4
209.11668	30.5
209.13271	3.6
211.14856	10.0
213.12759	3.8
213.16307	12.5
215.14337	13.4
215.17949	2.7
216.14745	2.6
217.15968	11.9
218.15973	2.6
219.17442	3.6
221.11519	2.8
221.13470	2.5
223.11272	3.1
223.14812	6.9
225.16409	5.5
227.14424	5.6
227.17950	6.5
229.12479	2.2
229.15897	8.2
231.17471	3.0
235.14920	2.9
237.16383	9.8
239.14362	3.0
239.18036	5.9
241.15962	4.7
243.13791	4.2
243.17517	6.6
245.15512	3.8
245.18918	3.1
247.13197	4.4
251.17982	8.5
253.19614	3.2
255.17468	4.2
257.15387	3.5
261.14676	6.2
263.17978	3.7
265.19669	3.8
269.19049	3.6
271.16904	3.2
275.16391	3.1
277.19598	3.0
283.16873	9.1
285.14978	2.7
287.16400	2.6
297.18570	4.9
299.16412	3.3
307.20428	3.3
325.11005	3.9
339.53549	2.4
342.92184	2.4
355.22778	2.6
365.28610	6.0
371.27454	5.3
377.28452	6.6
379.29565	3.8
389.28403	29.6
390.28647	2.9
405.27573	3.0
407.29489	33.7
408.29843	4.1
409.27380	9.5
417.27740	15.7
423.28796	14.5
425.30469	28.7
435.22845	2.6
435.28952	84.7
436.29294	10.0
441.29868	17.4
443.31531	9.7
453.29996	100.0
454.30566	11.6
471.31015	76.3
472.31412	6.6
489.31833	13.9
669.26947	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	668.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.7
55.05500	2.2
57.03437	0.7
57.07071	0.9
60.04506	0.4
61.02924	0.4
65.03944	0.4
67.05511	4.1
69.03419	0.9
69.07067	3.6
70.19552	1.2
71.04996	0.6
79.05491	3.0
81.03416	0.4
81.07057	8.9
83.05048	0.3
83.08607	1.3
85.02891	2.6
85.06525	3.8
91.05469	3.8
93.07045	11.0
95.08604	16.6
97.02869	0.7
97.06560	0.3
97.10184	1.1
98.22616	0.3
105.07027	5.2
107.08591	14.8
108.08944	0.6
109.10153	9.4
111.11758	0.5
117.07025	1.2
119.08574	7.3
121.10140	9.3
122.10524	0.4
123.11703	4.6
124.12059	0.4
127.03947	0.3
127.11208	0.9
129.07033	1.0
131.08569	3.0
133.10115	5.8
135.11688	25.5
136.12010	0.9
137.13239	3.0
141.06999	0.4
143.08553	1.9
145.04915	0.6
145.10112	5.0
147.11681	4.8
149.13258	4.9
151.14763	0.7
153.12805	0.5
155.08589	1.2
157.10112	3.4
159.11699	4.5
161.05959	0.4
161.09668	0.4
161.13249	2.6
162.07619	0.5
163.11182	0.9
163.14821	6.1
169.10129	2.3
170.10777	0.5
171.11690	5.8
173.09636	0.9
173.13223	3.0
175.11211	1.4
175.14824	4.5
177.12827	0.5
177.16417	4.0
179.10292	0.3
179.14322	0.3
180.08701	1.0
181.10124	0.5
183.11674	2.4
185.13252	4.3
186.13641	0.3
187.11208	0.7
187.14775	2.3
189.12691	1.9
189.16379	6.0
191.17993	2.5
195.11725	1.1
196.12389	0.4
197.13277	1.8
197.71703	0.3
199.14819	4.2
201.12791	1.8
201.16397	1.3
203.10658	0.6
203.14346	0.7
203.17963	4.4
205.12166	0.3
205.15926	0.6
207.06563	0.6
207.11752	0.4
209.11571	0.3
209.13306	1.0
211.14781	1.7
213.12788	0.7
213.16290	1.8
215.14351	1.7
215.17944	0.5
217.15829	1.8
217.19412	0.5
223.13008	0.5
223.14975	1.6
225.16356	2.5
227.14351	1.1
227.17960	1.3
229.15825	1.8
229.19737	0.3
231.13786	0.9
231.17404	0.5
235.15114	0.4
237.16425	1.1
239.17882	1.7
241.15851	1.1
241.19498	0.8
243.13831	0.6
243.17430	2.0
245.15407	2.3
251.17967	1.4
253.19664	0.7
255.17427	1.4
257.15369	0.4
257.19031	1.1
259.17050	0.5
261.14789	1.0
263.16440	1.1
265.19525	1.8
267.21039	0.4
269.15384	0.7
269.18967	1.4
271.16971	0.8
271.20547	0.5
273.14996	0.7
275.16422	0.9
277.19550	0.8
283.17365	0.5
283.20486	2.9
285.18488	1.0
287.16345	0.8
289.18042	0.9
295.20761	0.4
295.24081	0.4
297.18579	0.8
297.22021	0.6
301.07144	0.4
301.18121	0.6
303.19608	1.6
305.22702	0.6
309.22061	0.6
311.19739	1.8
315.19489	2.0
323.20132	0.6
323.23569	0.5
329.21130	7.8
330.21524	0.4
337.25394	0.4
341.21103	1.2
343.22415	0.3
351.22977	0.4
355.22723	1.3
361.28955	2.6
369.24277	1.4
379.29990	4.8
380.30139	0.6
383.25934	0.8
397.31033	0.9
407.15240	0.3
407.29520	5.0
408.29666	0.5
425.30469	100.0
426.30823	11.0
443.31552	14.6
443.37735	0.6
444.32016	1.8
466.31833	0.3
611.26263	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.8
55.01867	4.5
55.05512	12.4
57.03431	3.8
57.07071	6.8
58.91171	2.6
61.02938	2.7
65.03941	3.6
67.05502	26.1
68.29205	1.8
69.03431	10.8
69.07063	19.7
69.56487	4.6
69.56882	6.5
71.04995	4.5
73.02037	2.2
73.02908	2.2
79.05490	21.2
81.03423	12.9
81.07060	61.7
83.04957	10.5
83.08620	14.2
85.02907	35.4
87.04470	3.4
91.05471	29.9
93.07046	69.1
93.07608	4.1
94.07362	2.1
95.04967	9.9
95.08607	90.5
97.02895	16.4
97.06536	5.6
97.10183	9.2
99.04481	3.3
103.05472	4.8
105.07026	65.4
106.07330	3.2
107.04945	3.8
107.08593	98.6
108.08911	2.7
109.02850	4.1
109.06516	9.0
109.10156	53.0
109.51785	2.0
111.04419	3.2
111.08064	20.9
115.05438	3.4
117.07016	10.2
119.08577	75.7
120.08900	2.4
121.06458	3.9
121.10143	58.2
123.08100	14.3
123.11698	29.6
125.09633	47.3
127.03943	9.6
128.06174	3.4
129.07010	8.2
131.04933	2.2
131.08571	42.5
133.06503	4.2
133.10132	63.9
134.10425	3.6
135.04393	3.9
135.08069	6.1
135.11682	31.8
137.05965	13.9
137.09612	6.7
137.13274	6.0
139.11224	2.5
143.08556	18.5
144.06555	2.5
145.04973	7.7
145.06509	3.5
145.10120	59.4
146.10486	3.8
147.04411	2.9
147.08057	7.7
147.11684	45.5
148.12044	2.6
149.05995	3.3
149.09610	4.4
149.13264	28.6
151.03955	8.1
151.07526	5.0
151.11169	5.7
151.14856	2.9
153.01837	3.9
153.09087	3.1
155.08492	4.4
157.10114	15.2
158.10846	2.3
159.11705	45.9
161.06017	4.8
161.09647	5.8
161.13263	35.2
162.07643	7.6
163.03944	8.7
163.07596	4.5
163.11194	4.5
163.14824	26.0
165.09042	5.5
167.07117	2.3
167.10674	3.0
169.10130	5.4
170.10822	2.6
171.11679	15.5
173.06018	2.3
173.09621	1.9
173.11757	1.5
173.13246	47.6
174.13713	3.4
175.11267	4.8
175.14822	44.7
175.16351	2.2
176.15073	2.3
177.05557	4.2
177.12830	3.8
177.16391	50.6
180.08682	14.7
181.05034	3.1
183.11690	5.7
185.13297	14.3
187.11224	2.8
187.14812	80.9
188.15202	4.0
189.09076	2.9
189.12755	6.1
189.16374	63.3
190.16684	3.4
191.06924	2.9
191.10812	2.5
191.14357	14.4
191.17953	22.1
193.15897	5.8
197.13321	7.0
199.14815	29.2
200.15388	2.1
201.12579	3.2
201.16368	61.8
202.16820	3.9
203.10754	3.2
203.14366	8.9
203.17953	67.0
204.18362	3.4
205.15887	100.0
205.19397	4.5
206.16252	7.4
207.17407	8.5
208.07140	2.7
209.15343	5.6
211.14825	4.8
213.16373	69.1
214.16806	3.9
215.14439	1.9
215.17986	23.3
217.15906	11.4
217.19492	10.1
219.13878	4.5
219.17430	14.2
221.15399	6.1
223.16873	10.0
225.16385	4.4
227.17975	6.9
229.15971	3.8
229.19534	5.2
231.17397	6.3
233.15416	3.7
233.19101	6.4
235.16856	5.5
239.18199	4.7
241.19446	12.7
243.21227	2.6
247.16939	6.8
248.17349	2.1
249.18558	8.5
249.21164	2.3
253.19469	3.9
255.21002	3.4
259.16974	3.1
261.18500	8.7
267.21060	18.6
269.22684	6.9
273.26233	2.0
281.22641	6.8
320.60226	2.8
341.10208	6.5
341.24768	8.2
343.26328	8.3
377.31964	2.8
379.33780	4.2
389.32031	22.5
390.32446	2.9
391.33533	6.8
395.33176	6.5
407.33041	81.1
408.33627	12.2
409.34659	22.8
410.34763	3.7
423.32779	11.4
424.32816	2.5
425.34085	17.7
426.34909	2.3
435.32697	40.8
436.32999	6.0
441.33463	5.9
443.35251	37.4
444.35742	3.3
453.33694	65.5
454.33932	6.7
471.34995	13.3
511.75333	2.4
615.38605	9.0
633.99500	2.2
668.22742	3.1
668.34283	10.6
669.34924	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	668.4361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.2
55.01880	2.0
55.05499	9.4
56.33656	1.5
57.07062	3.4
60.24926	1.7
62.78706	1.7
65.03941	2.6
67.05497	12.3
69.03422	7.0
69.07066	11.9
71.04989	1.8
71.32613	2.7
72.08150	5.6
79.05495	12.8
81.03432	3.2
81.07049	34.6
81.40962	1.5
83.04968	9.7
83.08615	7.0
85.02916	16.4
86.09704	2.6
91.05470	18.8
93.07038	33.8
95.04973	2.0
95.08594	60.1
97.02885	6.4
97.06557	2.1
97.10129	3.7
98.06035	4.3
105.04487	1.9
105.07019	46.7
107.08581	54.5
109.02871	1.8
109.06491	4.8
109.10138	34.4
111.07385	2.0
111.08031	9.3
117.06233	1.5
117.07019	6.4
119.08580	53.6
121.06516	2.8
121.10130	40.9
123.08044	3.1
123.11703	17.5
125.09608	22.8
127.03887	2.5
129.07019	4.4
131.08545	25.2
133.10117	49.8
135.08076	2.4
135.11673	16.5
137.06001	3.5
137.09581	2.1
137.13249	2.9
137.80510	1.5
142.07802	1.7
143.08600	9.8
144.09312	2.2
145.04950	3.8
145.10106	50.3
146.10561	1.6
147.08041	2.6
147.11664	35.6
149.09601	3.2
149.13260	15.0
151.11162	3.5
153.09148	3.8
154.90605	1.6
157.10080	8.5
158.10876	3.5
159.11673	30.9
160.11980	2.1
161.09624	3.7
161.13249	17.7
163.07497	1.7
163.11205	2.9
163.14803	22.2
167.07001	2.9
169.10083	2.1
171.11655	8.1
173.09886	1.9
173.13237	35.9
175.11186	2.1
175.14795	31.9
176.15289	1.9
177.12721	3.4
177.16359	28.3
178.16736	1.9
180.08673	4.7
183.11609	4.1
185.13254	6.7
187.14798	58.4
188.15100	4.0
189.05243	2.4
189.12766	3.6
189.16356	43.4
189.17999	3.1
190.16611	3.2
191.14317	19.8
191.17920	13.5
192.14638	2.4
193.15924	2.0
195.11761	1.9
197.13286	2.9
199.14746	16.2
200.82303	2.2
201.12769	1.9
201.16362	43.1
203.14246	10.0
203.17938	55.6
204.18214	3.6
205.04800	2.8
205.15863	100.0
205.19597	6.0
206.16176	5.1
211.14868	3.4
213.16357	22.7
214.16762	2.0
215.17905	16.9
217.15858	5.6
217.19484	2.8
219.01123	1.8
219.13913	1.8
219.17442	12.0
221.15460	6.2
223.16919	7.8
227.17975	3.8
229.19458	5.1
231.17444	5.9
233.18990	3.1
235.16908	6.8
240.18901	1.9
241.19493	4.3
243.21016	1.8
247.16968	11.5
249.18349	9.7
255.21091	1.8
261.18411	7.8
267.20895	4.0
269.22559	2.1
280.07272	1.6
319.23856	2.1
327.23248	2.2
341.24921	3.7
377.32065	3.6
379.33633	2.6
389.31949	14.7
395.28760	4.0
395.33670	7.8
407.33041	52.0
408.33484	7.6
409.34744	4.0
423.32416	10.2
425.34048	12.6
435.32532	31.1
436.32516	2.4
441.33411	4.3
443.35205	8.2
453.33597	56.5
454.33810	6.9
460.16858	5.2
471.34515	3.5
615.38635	2.6
668.23224	3.5
669.23596	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	668.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.8
55.01868	4.7
55.05501	16.1
57.03423	9.7
57.07089	2.8
61.02925	11.5
65.03949	3.4
67.05508	30.2
69.03432	28.7
69.07063	23.4
69.07401	3.4
71.04992	6.5
71.32722	2.8
71.33116	3.4
72.07658	2.3
73.02909	4.3
73.64442	2.3
79.05489	26.3
81.03413	16.0
81.07056	55.6
82.07410	2.5
83.04968	5.0
83.08620	15.0
85.02900	99.8
87.04436	2.9
91.03964	5.7
91.05463	26.8
93.07043	52.2
95.04970	8.7
95.08600	80.9
96.08955	4.0
97.02890	33.6
97.10165	9.2
99.04455	5.9
103.05432	3.6
105.07019	47.5
107.04967	4.7
107.08585	74.0
109.02901	11.5
109.06522	5.8
109.10160	52.1
111.11756	2.7
117.03389	4.4
117.07018	10.8
119.04917	3.5
119.08578	51.5
120.08891	3.6
121.06525	3.2
121.10145	59.0
123.08062	5.1
123.11724	24.2
125.09635	3.7
127.03919	20.6
128.06190	3.5
129.05502	2.8
129.07008	7.0
131.04977	4.5
131.08548	34.1
133.06467	6.6
133.10120	52.1
133.31752	2.4
135.04413	9.6
135.08090	4.9
135.10689	2.0
135.11687	51.2
136.04791	3.3
136.11986	3.0
137.05997	12.4
137.09630	5.7
137.13222	17.2
141.05376	2.5
141.06960	2.7
142.07764	2.6
143.08553	14.1
145.02832	8.5
145.04953	20.9
145.10118	51.0
147.04405	4.2
147.11679	32.6
148.11971	3.4
149.05977	5.1
149.09592	5.9
149.13257	41.1
151.03883	10.2
151.07544	3.7
151.11229	3.8
151.14792	2.9
153.05441	2.2
153.12701	2.5
155.08493	5.4
157.10126	18.8
159.11664	30.7
161.05930	4.4
161.09639	2.5
161.13246	34.8
162.07652	8.3
163.03932	7.0
163.06134	3.2
163.07486	3.1
163.11192	5.9
163.14798	11.7
164.08299	3.5
165.05589	3.7
165.09091	6.9
165.12761	3.5
167.07050	3.7
169.10133	9.0
171.11649	16.4
173.13208	22.3
175.03848	2.5
175.07509	3.1
175.11107	2.8
175.14798	22.5
176.15167	2.9
177.05473	17.6
177.16380	53.2
178.16786	2.8
180.08658	37.7
181.04942	6.6
181.08690	3.8
183.08215	2.8
183.11658	6.4
185.13251	22.1
187.14804	100.0
188.15123	5.4
189.12738	3.4
189.16396	39.3
190.16719	4.3
191.17949	17.8
195.11742	2.5
195.17278	2.5
197.13266	7.5
199.14783	17.8
201.16418	40.4
203.07080	3.3
203.10669	3.6
203.14363	7.2
203.17931	23.9
205.15874	51.8
205.17699	4.4
206.16267	4.8
207.06433	3.7
207.17461	8.7
209.13306	3.0
211.14799	9.4
213.16377	10.2
215.14357	4.7
215.17915	8.9
217.12297	2.6
217.15825	5.1
217.19458	5.7
219.17488	8.1
223.14986	2.9
225.16388	6.4
227.18002	4.3
229.19489	5.7
231.13731	3.9
231.17395	4.6
233.15358	14.2
237.16505	4.2
239.17917	6.6
241.19453	4.7
243.20981	3.6
245.15413	5.9
245.18889	4.2
247.16969	6.1
251.18048	4.1
253.19463	4.2
255.21088	6.1
257.15250	2.8
257.18756	3.1
259.20529	3.9
271.16870	3.4
271.20648	3.3
273.22153	3.1
275.16458	7.3
282.08456	4.7
283.09229	6.2
283.20633	7.6
295.09555	13.2
296.10031	14.1
310.08273	3.2
311.08774	6.6
311.20340	2.8
325.10626	35.7
326.11041	55.7
327.11444	2.8
329.20981	2.3
330.58917	2.7
349.29205	3.8
351.30420	2.8
357.24210	6.5
367.29959	47.6
368.30200	3.8
379.33487	4.0
389.31961	13.9
395.28818	3.6
395.33459	3.0
405.31146	2.6
407.33054	78.7
408.33463	5.4
423.32617	2.5
425.34158	43.9
426.34540	2.8
435.32693	19.7
436.32800	3.0
441.33597	8.8
442.34293	2.7
443.35150	5.7
453.33655	96.2
454.34119	12.2
471.34924	15.7
472.35416	2.6
506.38220	11.2
564.24554	2.6
668.34204	10.9
669.23865	4.0
669.34692	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	669.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
64.70626	0.2
69.71601	0.4
69.72015	0.9
81.07012	0.3
91.05424	0.3
93.06983	0.2
103.09785	0.2
103.94086	0.3
109.10146	0.3
119.08576	0.2
137.05975	0.3
176.04468	0.5
177.05249	0.7
203.06728	0.6
205.04700	100.0
206.05052	2.6
216.07520	1.0
223.05785	0.4
232.07068	0.3
233.07808	0.3
246.07277	0.5
248.20102	0.3
249.07240	1.4
249.59076	0.3
250.08099	0.6
263.08902	2.5
279.12018	0.3
306.55457	0.2
307.11481	0.9
383.10666	0.4
385.12640	0.7
415.13638	0.4
425.15759	0.4
441.14844	0.3
445.14731	2.7
446.14767	0.3
460.16992	26.1
461.17560	4.2
639.24139	0.8
669.25061	40.3
670.25378	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	669.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45104	1.2
55.01856	1.3
55.05510	1.6
57.03427	1.3
57.07067	3.5
67.05500	4.4
68.99773	2.3
69.07061	2.5
79.05497	3.9
81.07039	3.3
83.01326	2.7
84.25388	1.0
85.06535	2.0
91.05486	3.2
93.07043	4.2
95.04967	3.1
95.08613	4.3
97.06550	1.9
105.07036	4.4
105.66010	0.9
107.04967	1.6
107.08603	4.1
109.06542	4.9
109.10149	1.8
111.08117	1.8
113.06010	6.7
115.05442	2.2
117.07002	3.6
119.08574	4.0
121.06507	13.6
121.10199	4.9
123.04427	3.8
123.08060	2.3
123.11710	1.1
127.03912	1.3
131.08575	3.5
133.06526	1.0
133.10066	1.3
135.04393	1.4
135.08067	11.2
135.11667	1.5
137.05984	2.2
137.09619	3.2
139.03900	4.3
139.11153	5.1
145.06477	3.8
149.05965	10.4
149.09601	4.9
149.13277	1.0
151.03900	4.6
151.07539	7.3
151.11229	1.0
155.03401	8.0
159.08060	3.2
161.06024	2.8
162.06778	2.4
163.03917	7.4
163.07542	38.4
164.07909	1.1
165.09099	2.1
167.03452	1.5
167.10680	1.8
169.04924	2.1
173.05966	4.9
173.09656	1.2
175.07529	1.4
177.05453	4.2
177.09091	9.3
179.07021	21.8
183.10149	6.3
187.07509	4.9
190.06172	1.7
191.07027	74.7
192.07434	2.8
193.08578	4.9
194.15810	1.1
197.08086	34.4
197.09911	1.9
198.08438	1.6
204.07866	1.4
205.08597	55.5
206.08957	2.8
209.08083	97.3
210.08437	3.7
211.09651	28.6
212.10011	2.0
219.10170	13.8
223.09645	100.0
224.09952	3.5
225.11237	5.3
237.11217	20.5
237.14806	8.8
245.11823	1.5
259.13330	1.7
263.12790	2.1
277.14383	1.7
366.14450	1.1
387.21753	1.4
401.23145	1.5
402.86972	1.1
415.21078	13.9
416.21237	1.1
427.21332	2.3
429.22672	13.3
433.21994	2.1
441.22824	2.6
445.22171	41.5
446.22675	4.7
447.23987	4.6
459.23758	43.2
459.30396	2.0
460.23846	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	669.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.4
55.05506	7.7
56.92044	2.2
57.07067	6.2
59.05003	3.2
65.03946	3.1
67.05513	18.9
67.93261	2.3
69.07067	5.9
71.04976	14.4
74.03914	2.5
79.05488	14.9
81.07056	29.6
83.01352	3.3
83.04980	3.4
83.08637	3.3
85.06573	2.8
91.05489	14.9
93.07027	13.3
95.04969	6.3
95.08607	10.7
97.06528	5.2
105.07033	24.6
107.08590	17.4
109.06519	15.7
109.10152	26.7
113.05981	12.1
119.08609	8.4
121.06491	4.2
121.10155	14.9
123.08082	5.4
123.11703	12.4
125.09604	2.8
131.08600	4.7
133.10103	25.8
135.08061	7.2
135.11678	4.3
137.05966	7.0
137.09608	8.4
139.03879	2.3
139.11209	7.3
141.05475	7.2
145.10168	3.0
147.08046	3.4
149.09619	4.4
149.13232	3.3
150.10120	1.8
151.07520	3.3
151.11188	59.7
151.12416	3.0
153.05476	13.9
157.10107	3.4
159.07997	2.4
159.11595	2.3
163.07520	5.5
165.05463	3.1
165.09129	14.0
167.10759	3.0
171.11601	2.3
175.07561	10.5
177.09126	4.6
179.07121	3.1
181.08458	2.7
185.13376	2.3
187.07588	3.9
191.07011	10.4
191.14314	3.4
193.08614	47.1
197.08118	2.6
203.07062	2.9
203.10730	4.2
205.08623	19.5
207.10167	4.0
207.13713	2.8
209.08060	6.0
209.15343	2.6
210.00679	2.5
211.09648	100.0
212.09967	4.0
219.13765	3.6
221.15285	2.5
223.09666	9.4
225.11247	4.3
231.13826	5.1
235.13297	3.6
237.14790	14.2
239.10712	2.8
247.13341	7.6
249.14890	3.4
257.11771	5.5
259.13239	3.8
265.14270	10.8
269.11603	2.2
273.14902	14.9
275.12766	7.2
291.15872	17.3
325.17932	6.5
343.19147	16.6
361.20123	28.7
401.22980	2.6
415.24762	9.4
429.22757	31.3
430.22876	4.4
447.23651	7.0
499.27188	3.3
509.28772	2.5
527.29828	9.3
579.33118	13.6
580.33069	3.0
597.34149	89.5
598.34711	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	669.399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.8
55.01866	6.4
55.05518	5.1
56.05844	1.1
57.03468	1.1
57.07060	3.5
58.44458	1.0
59.05008	2.0
67.05508	8.3
68.99781	1.3
69.03417	2.7
69.07070	9.5
70.05950	2.6
71.04987	6.7
79.05493	9.3
81.06632	1.5
81.07064	19.2
83.04972	3.0
83.08620	2.0
85.06537	1.4
91.05481	11.8
93.06445	2.2
93.07041	41.2
95.04964	7.3
95.08611	22.2
97.06539	6.3
97.10150	3.3
105.07030	14.6
105.59348	1.1
106.07342	1.4
107.04964	2.6
107.08593	32.3
109.06519	10.5
109.10168	7.8
111.04398	1.1
111.08073	6.7
113.06015	11.9
114.83810	1.0
117.06986	3.3
119.08564	8.1
121.06503	22.2
121.10140	16.8
123.04415	6.9
123.08073	7.4
123.11697	4.9
125.05995	2.9
125.09621	6.9
127.03867	1.6
129.07018	1.3
131.08568	6.2
133.06485	3.7
133.10106	7.3
134.10393	1.6
135.04398	1.3
135.08044	19.9
135.11665	7.9
135.12564	1.3
137.05984	4.4
137.09604	14.3
137.13261	3.4
139.11136	8.8
141.05428	1.3
143.08553	1.2
145.10069	5.8
147.08057	1.8
147.11659	7.3
149.05954	6.8
149.09619	8.2
149.13271	14.3
150.10384	1.8
151.07530	14.6
151.11197	3.6
153.05486	4.1
153.09105	19.8
155.07031	1.8
157.10059	1.4
159.11671	2.4
161.05991	6.9
161.09648	2.1
161.13336	1.6
163.07570	2.9
163.11185	4.8
163.14832	3.7
165.09117	2.7
167.07080	2.6
167.10666	6.3
167.14291	2.7
173.05908	1.4
173.13289	5.4
175.07549	2.1
175.11107	1.5
177.05493	1.0
177.09071	1.7
178.06140	1.6
179.07022	41.2
181.15855	7.4
185.09700	1.5
187.14815	3.3
189.09070	2.9
191.07036	19.6
191.08685	1.3
191.10716	2.0
191.14253	6.0
192.07510	1.7
193.08612	3.0
193.12265	1.8
195.13753	1.8
197.08087	65.1
198.08385	2.8
203.10698	1.2
205.08638	2.6
205.15891	12.3
207.10098	1.9
207.13794	1.2
208.59421	1.2
209.08121	2.6
209.15367	25.7
209.17227	1.8
211.09639	4.9
215.10658	5.0
219.13783	1.7
223.09718	1.1
223.16956	3.4
229.08586	1.6
231.10190	2.5
233.11780	3.6
235.13298	8.7
237.14854	14.9
239.10579	1.0
243.10258	6.0
245.11772	5.0
247.09703	1.8
249.11220	5.3
251.12814	2.6
261.11212	20.7
262.11557	1.8
269.11694	1.2
273.11136	1.2
275.12482	1.2
275.20218	1.5
285.14703	1.2
285.18265	1.1
297.11243	1.4
297.14621	2.6
301.10550	2.4
303.47687	1.3
313.14056	1.1
315.16000	2.2
323.16077	1.2
324.13196	1.1
327.19598	3.2
345.20639	5.3
355.15167	1.3
369.24390	1.3
387.21643	2.2
397.19943	1.4
397.23914	12.9
397.28687	1.9
399.25284	1.5
409.19962	2.8
415.20456	35.5
415.25034	10.2
416.21530	4.6
427.20880	2.4
428.95447	1.2
429.22925	2.2
433.22092	6.8
451.28488	1.9
469.29865	10.3
479.24097	1.4
485.24969	2.7
487.23013	1.6
487.30185	2.4
497.25189	5.0
511.33826	2.1
529.26862	1.4
563.33600	3.7
581.34717	7.2
597.34222	1.9
615.36609	3.2
633.37909	30.2
634.37744	4.9
651.38898	100.0
652.28986	1.4
652.39221	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	669.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17598	0.8
53.03952	1.0
53.20471	0.7
55.05507	3.5
57.07059	2.3
65.03947	2.1
65.19678	0.7
67.05497	5.0
67.43151	0.8
69.07072	6.8
70.19193	0.7
70.59518	1.9
71.04970	0.8
79.05492	6.6
80.50491	0.7
81.03404	0.8
81.07047	16.0
83.08623	7.0
85.06546	1.1
89.03915	6.7
91.05464	8.6
93.07035	14.5
95.04976	0.8
95.08606	25.8
96.08924	0.8
97.10182	1.0
103.05434	1.4
105.07031	12.1
107.04914	5.0
107.08583	18.8
109.10147	11.2
111.04475	1.3
117.03374	7.4
117.06999	1.7
119.04922	1.2
119.08569	12.3
120.08944	0.9
121.06540	1.0
121.10136	15.7
122.10512	1.2
123.11705	7.0
125.06028	1.3
128.06227	1.7
129.06998	2.5
131.04951	1.4
131.08562	9.0
133.06485	1.1
133.10123	10.3
135.04405	16.5
135.08031	0.8
135.11682	14.1
135.12650	1.3
137.05951	7.1
137.09628	0.9
137.13260	6.9
139.03888	1.2
143.08562	3.3
145.02846	13.8
145.06548	1.2
145.10133	8.5
147.04404	2.0
147.11682	8.3
149.05978	1.6
149.13252	12.6
151.03918	12.1
151.05035	1.3
151.07535	4.2
151.14810	2.3
152.04222	1.1
153.05472	1.3
155.08495	1.0
157.10182	3.7
158.07433	0.8
159.08073	1.0
159.11700	5.9
161.05916	2.6
161.13258	6.5
163.03894	100.0
163.07532	2.8
163.14813	3.2
164.04247	3.0
165.09116	1.3
167.08508	0.9
169.10135	1.6
171.11687	7.5
172.12103	1.0
173.05954	1.2
173.09578	0.9
173.13287	5.5
175.07480	2.2
175.14862	5.2
177.05489	2.1
177.16371	15.2
178.16669	1.4
181.04942	24.4
181.10219	1.1
182.05466	0.9
183.11745	2.2
185.13245	5.1
187.14812	4.1
188.08237	1.1
189.12708	2.1
189.16388	7.5
191.06967	1.0
191.10692	1.5
191.14258	1.0
191.17992	4.1
197.13257	2.5
199.14780	7.2
201.16417	5.3
202.16692	0.9
203.10646	3.0
203.14270	1.6
203.17946	14.5
204.18246	0.9
205.15889	2.8
205.19562	1.0
207.17549	1.3
209.13148	0.9
211.14818	1.6
213.16376	2.4
215.17844	1.2
217.12238	5.3
217.15894	1.9
217.19540	2.6
219.13786	1.5
219.17447	1.8
225.16306	1.5
227.17958	1.2
229.15898	1.4
231.13887	1.4
233.15385	1.3
239.17903	1.5
241.19547	1.2
243.13820	1.6
245.15384	3.3
251.18134	0.9
257.15381	1.3
257.18893	0.9
259.17123	1.2
263.07028	0.8
275.16498	1.8
281.11758	1.1
293.17532	1.2
299.09183	2.4
307.24158	0.8
349.28836	1.7
367.29895	4.6
381.31567	1.0
389.31989	1.5
395.29388	5.6
407.33011	7.7
408.33490	1.4
409.31189	0.9
425.33887	1.2
427.32123	2.1
435.32590	3.4
436.33112	1.1
453.33682	9.8
454.33917	1.4
471.34448	1.9
651.24896	1.2
669.33801	3.5
669.41180	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	670.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.9
55.01869	4.7
55.05504	13.7
57.03438	6.0
57.07063	3.7
59.04980	3.5
61.02922	6.9
65.03923	5.7
67.05505	23.5
69.03439	24.0
69.07060	24.0
71.04982	5.7
71.08656	3.2
71.44477	3.0
73.02927	2.6
79.05499	20.5
81.03420	22.6
81.07059	45.8
83.04976	6.5
83.08620	10.0
85.02907	70.4
85.06544	5.5
85.47532	3.1
91.05476	37.9
93.07042	56.0
94.07368	4.0
95.04970	11.6
95.08607	60.3
97.02895	26.3
97.06485	5.8
97.10179	8.2
98.23318	8.7
99.04420	3.5
103.05460	9.3
105.07028	57.9
107.04919	8.7
107.08595	62.2
109.02879	9.9
109.06529	7.6
109.10154	43.0
111.04419	5.4
111.08050	5.7
112.24554	3.3
115.03888	3.5
115.05473	5.5
117.03385	6.6
117.07032	13.4
119.04951	14.1
119.08575	65.1
120.08950	3.6
121.06493	6.5
121.10156	68.2
122.10506	5.5
123.04440	7.7
123.08057	5.0
123.11715	17.7
124.12048	3.6
125.05994	6.7
127.03925	15.1
128.06250	4.6
129.06981	8.0
131.04897	8.3
131.08569	30.4
133.04907	3.4
133.06549	5.2
133.10120	56.2
135.08073	8.8
135.11693	42.1
137.02325	4.2
137.05984	34.4
137.09604	8.5
137.13222	9.5
141.06982	3.2
143.08578	24.0
145.02855	12.7
145.04984	11.2
145.10112	69.6
146.03165	3.2
147.04404	23.6
147.08047	5.1
147.11673	44.4
148.05138	4.2
149.05991	9.4
149.09608	7.8
149.13269	24.8
151.03908	80.9
151.05020	4.0
151.07512	14.8
153.01808	11.2
156.09384	4.1
157.06491	4.0
157.10156	18.5
159.08057	14.4
159.11700	38.6
161.05966	19.5
161.09656	4.0
161.13284	40.0
163.03935	3.9
163.07520	11.5
163.11166	11.3
163.14772	15.8
164.04694	3.2
165.05467	13.7
165.09126	14.0
167.07028	8.7
167.10716	4.0
169.04958	9.5
169.10138	3.9
171.07867	4.2
171.11655	12.2
172.12265	3.4
173.13223	18.2
175.03925	22.8
175.07515	5.8
175.11224	7.0
175.14813	22.2
177.05487	43.4
177.09126	7.7
177.12790	5.8
177.16376	42.3
178.05896	8.1
178.09781	4.1
179.07018	7.1
179.14320	6.7
180.08661	18.0
181.04961	14.8
181.10176	3.0
183.11768	6.9
185.13254	49.3
187.07556	12.1
187.11122	4.4
187.14812	44.1
189.09149	4.9
189.12772	12.6
189.16382	56.7
190.16727	3.6
191.07036	4.4
191.14331	10.2
191.17903	14.7
193.08592	4.6
195.06522	13.7
197.13269	6.5
199.14810	12.7
201.12691	4.4
201.16402	36.7
202.16774	3.8
203.07121	5.6
203.10626	6.2
203.14311	88.9
203.17924	20.4
204.14635	8.4
205.08591	31.4
205.15866	100.0
205.17699	5.9
206.16241	4.4
207.06514	41.4
207.17470	24.6
211.14871	4.1
213.16425	8.3
215.14241	3.8
215.17891	15.1
217.15904	5.3
217.19484	6.7
219.17461	10.8
226.54204	3.0
227.17982	6.9
229.19536	12.9
231.21086	5.1
247.09537	4.5
259.09659	10.0
273.21817	3.9
275.20050	3.3
299.09109	3.6
301.10883	3.1
301.21457	4.0
303.05200	18.4
313.09149	4.4
329.10123	15.7
329.13809	70.8
330.14227	7.4
341.13733	11.6
345.16937	3.5
359.14886	18.0
368.73181	3.2
373.28583	4.2
391.29608	24.4
409.30701	64.0
410.31268	7.0
419.29288	3.7
425.30307	4.7
427.30988	5.2
427.36618	14.3
437.30161	79.7
438.30652	15.9
445.37051	9.1
455.36008	49.5
456.35941	3.6
473.37262	23.8
491.33578	22.2
556.38678	3.2
608.55896	3.8
671.26495	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	670.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.4
55.05503	5.8
57.07066	2.5
57.32293	1.1
61.02914	1.5
65.03923	1.3
67.05490	7.7
69.03432	3.8
69.07065	8.7
71.31655	1.2
77.03899	1.1
79.05485	9.6
81.03430	1.5
81.07055	27.6
83.04069	0.9
83.04974	8.0
83.08619	2.8
85.02895	9.2
85.06571	1.2
91.05470	16.0
91.05991	1.5
93.07041	26.0
95.04959	3.3
95.08601	32.2
97.02892	3.4
97.06516	2.8
97.10177	1.3
103.05472	1.5
105.07026	47.9
105.50065	1.0
106.07382	1.6
107.04946	2.0
107.08589	37.5
109.02874	2.4
109.06506	2.5
109.10159	16.0
111.08083	4.1
117.06989	6.8
119.08576	50.0
120.08911	1.7
121.02883	4.2
121.06501	2.6
121.10147	23.8
123.08054	4.1
123.11712	8.6
125.09614	8.5
127.03944	2.8
129.07018	2.7
131.08568	39.5
133.10121	35.9
135.08020	4.0
135.11691	23.2
135.12666	1.9
137.05957	1.7
137.09586	1.8
142.07709	1.6
143.08540	12.2
144.09317	1.7
145.05002	2.0
145.10121	51.5
146.10449	1.8
147.04416	3.0
147.08037	1.5
147.11679	27.5
148.12039	1.6
149.05934	1.3
149.09654	2.3
149.13254	15.5
151.03905	2.3
151.11121	1.9
153.01768	1.5
155.08530	2.5
156.09286	2.5
157.10118	16.3
158.10901	4.8
159.08138	1.6
159.11697	37.6
160.12021	2.1
161.09608	4.6
161.13252	36.4
162.13582	1.9
163.03769	1.0
163.07635	3.0
163.11188	3.3
163.14828	13.5
167.07014	4.8
169.10146	4.4
170.10954	2.3
171.11681	15.8
172.12456	2.1
173.13254	83.4
174.13539	6.0
175.03981	1.7
175.11232	3.8
175.14815	36.6
177.09138	2.0
177.12772	3.8
177.16377	17.8
179.14305	1.1
180.08687	4.6
182.10860	1.0
183.11708	4.1
184.12454	1.4
185.13235	17.1
187.14816	100.0
188.15176	6.3
189.12769	3.2
189.16374	29.7
190.16711	2.5
191.14293	20.8
191.17926	1.3
192.14653	1.2
193.15897	2.2
195.11743	2.1
197.13208	5.2
199.14818	21.2
200.15222	1.2
201.12773	2.4
201.16371	11.9
203.14301	17.7
203.17976	4.3
205.15872	66.1
206.16212	3.0
207.06555	4.7
207.13797	3.1
207.17439	2.9
209.13426	2.0
209.15437	3.9
211.14827	4.2
213.16339	7.5
215.14369	3.7
215.17943	5.7
216.18246	1.2
217.15892	7.0
217.19621	1.1
219.13870	2.6
219.17375	5.2
221.15306	9.0
223.14958	1.7
223.16986	3.6
225.16354	2.8
227.17932	3.3
229.15942	1.7
231.13805	1.8
231.17409	7.3
233.15370	15.6
233.18991	2.5
235.16953	1.6
237.16473	2.2
239.18060	1.7
241.19606	1.7
245.15349	3.6
245.18918	1.3
249.14926	3.8
249.18697	1.4
251.17921	1.3
253.19536	2.8
255.21358	1.1
265.19458	2.4
267.21234	1.5
281.22696	1.3
303.04913	2.7
333.25583	1.3
361.28946	6.5
363.30411	3.3
373.28680	4.6
379.25754	1.5
379.29974	4.6
391.29938	42.4
392.30292	5.4
393.31387	3.8
407.29483	3.7
409.31021	22.2
410.31696	2.0
419.29459	7.6
425.30170	5.1
427.32126	45.1
428.32272	4.7
429.33942	1.7
437.30527	57.6
438.30911	6.9
445.32913	4.7
455.31586	26.5
456.31973	2.6
473.32654	13.7
474.33218	1.5
663.43359	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84866	2.0
53.03941	6.0
55.01859	3.1
55.05511	12.0
56.92140	2.0
57.03426	3.8
57.07070	6.4
57.42217	1.6
59.04996	2.2
61.02930	4.5
62.80997	1.8
65.03953	3.8
67.05506	21.9
69.03429	12.6
69.07064	17.4
69.22782	11.4
69.23187	4.0
71.04980	5.4
79.05490	11.9
81.03412	8.5
81.07052	38.7
83.04969	2.4
83.08628	9.7
85.02904	47.2
85.06546	6.7
87.87192	1.9
91.05479	28.8
93.07042	37.7
95.04961	4.3
95.08602	57.4
96.08916	2.6
97.02901	13.0
97.06509	4.0
97.10181	6.7
105.06355	3.2
105.07031	39.7
107.08598	63.8
109.02869	4.8
109.06517	3.9
109.10148	35.0
111.04392	3.0
111.08064	3.2
111.11731	2.4
115.05426	2.9
117.07002	13.7
119.04954	9.9
119.08577	55.3
121.06507	2.6
121.10146	55.9
122.10464	1.8
123.08067	4.1
123.11709	20.7
125.05967	3.7
125.09624	1.9
127.03918	9.8
128.06233	3.6
129.07005	8.1
131.08557	33.2
133.06543	1.9
133.10120	56.5
135.08043	4.4
135.11699	47.4
137.05960	8.5
137.09612	6.6
137.13252	7.2
142.07808	2.9
143.08553	25.9
145.04959	11.9
145.10117	71.3
146.10532	3.4
147.04404	9.8
147.08034	4.8
147.11682	44.3
149.09601	3.6
149.13260	27.9
151.03906	64.0
151.04984	5.6
151.07515	4.3
151.11194	4.3
155.08635	2.6
156.09372	4.5
157.06558	2.5
157.10126	21.7
159.11685	42.5
160.12048	3.0
161.09583	3.6
161.13254	44.0
162.07619	3.2
163.11179	14.5
163.14795	23.1
165.09152	4.5
167.07027	4.8
169.04944	7.9
169.10023	3.2
171.11696	18.3
172.12486	2.7
173.13226	20.3
175.03949	10.3
175.11203	5.7
175.14824	31.1
176.11591	2.8
176.15158	3.1
177.09163	3.1
177.12764	8.1
177.16406	40.7
179.14272	6.2
180.08658	17.4
181.04970	5.3
183.11719	6.5
185.13239	48.3
186.13719	3.0
186.45265	2.3
187.11205	3.3
187.14828	34.0
189.09038	3.0
189.12784	13.5
189.16380	61.6
190.16754	3.3
191.14337	8.2
191.17920	21.7
193.12169	3.8
193.15982	2.4
195.06519	13.0
195.11685	2.8
197.13219	2.8
199.14810	10.8
201.12756	3.6
201.16388	31.1
202.16740	2.8
203.14307	100.0
203.17889	24.1
204.14633	6.3
205.15877	94.1
206.16238	5.8
207.06532	21.6
207.17427	19.0
211.14861	4.2
213.16373	8.5
215.14365	2.8
215.17876	12.9
217.15897	2.9
217.19539	5.7
219.17369	12.3
225.16440	2.3
227.17949	4.4
229.15875	4.6
229.19559	10.8
231.13869	3.0
231.17502	4.2
231.21086	4.9
235.16907	2.7
239.17833	4.2
245.18962	2.8
247.16936	4.9
247.20615	5.9
255.21022	4.3
259.09546	6.9
259.20517	2.5
295.07980	2.4
299.20013	3.0
303.04971	17.1
319.22510	2.8
329.10129	4.2
341.13809	3.6
369.31390	2.1
373.28784	3.0
391.29669	22.5
392.30164	2.5
409.30688	68.8
410.31296	6.2
411.28720	3.7
419.29199	3.5
425.29941	2.7
427.31055	4.6
427.36560	14.4
437.30200	72.7
438.30502	9.7
445.36597	7.4
455.35898	41.7
456.35437	6.7
473.36725	21.4
491.33600	16.9
598.44653	2.3
671.33569	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	670.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	5.9
57.07066	2.4
60.04512	1.8
67.05497	10.1
69.03447	2.9
69.07067	8.8
69.87760	1.8
79.05494	11.0
79.05885	2.0
81.03423	2.7
81.07057	30.0
83.04982	8.2
83.08623	6.4
85.02897	7.5
91.05488	15.2
93.07043	30.2
93.19825	2.0
95.04964	3.7
95.08610	41.8
97.02895	3.0
98.22576	3.5
100.78691	2.0
103.05444	2.7
105.07032	66.9
105.07739	3.7
107.08601	39.3
108.08898	2.9
109.06515	2.3
109.10155	15.5
111.08093	4.7
117.07021	9.0
119.08585	53.0
121.02877	2.8
121.10146	27.5
123.08035	2.9
123.11726	10.0
125.09626	10.0
127.03951	4.0
129.06964	3.6
130.07768	2.2
131.08565	38.7
131.09462	3.3
133.10136	46.4
135.08083	2.7
135.11679	24.2
137.09631	3.1
142.07767	3.0
143.08548	10.1
145.10123	53.5
147.08035	2.8
147.11668	27.0
149.09615	2.3
149.13292	17.1
151.03926	2.6
151.11185	2.9
155.08543	3.3
156.09319	2.4
157.10138	17.1
158.10849	6.2
159.11694	38.3
161.09656	5.3
161.13246	44.7
162.13626	2.2
163.07561	4.2
163.11130	3.9
163.14796	13.1
165.09055	2.0
167.07053	6.4
169.10123	7.6
171.11716	16.4
172.12535	2.4
173.13260	94.3
174.13593	4.3
175.11243	5.1
175.14813	36.6
177.12753	5.3
177.16360	15.3
180.08662	2.5
181.10123	2.3
183.11647	4.5
185.13251	18.2
187.14830	100.0
188.15120	4.3
189.12775	2.7
189.16367	37.0
191.14311	20.6
193.15851	2.5
197.13231	4.3
199.14822	24.5
201.12698	2.6
201.16406	12.0
203.14270	15.8
203.17981	4.0
205.15881	69.8
206.16261	2.8
207.06429	3.9
207.17496	4.5
209.13200	3.1
209.15329	4.7
211.14772	5.1
213.16367	9.2
215.14418	3.6
215.17964	5.7
217.15906	7.1
219.13864	2.7
219.17409	5.5
221.15372	8.6
223.14885	3.0
223.16878	4.6
225.16418	4.8
227.17763	3.0
229.15863	2.1
231.17421	5.7
233.15431	17.8
245.15405	3.9
249.14778	4.5
251.17989	2.1
275.17728	2.1
303.04892	2.9
361.28955	7.1
363.30426	2.4
373.28934	7.0
379.29819	5.8
391.25244	4.3
391.29904	43.3
392.30255	6.7
393.31583	4.2
407.29370	6.1
409.30933	24.6
410.31375	3.9
419.29370	9.0
425.30423	7.6
427.32089	48.2
428.32416	6.2
437.30515	51.1
438.30838	8.2
445.33020	4.6
455.31424	22.1
456.31659	3.0
473.32758	12.3
623.00861	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07811	0.9
53.03954	2.2
55.01878	1.1
55.05510	4.8
57.07080	1.8
60.66423	0.9
61.02919	2.1
65.03958	1.1
67.05501	7.3
69.03425	4.5
69.07070	6.1
70.15648	3.3
71.04993	1.8
71.46433	1.0
72.75877	1.0
73.02904	1.0
77.03949	0.9
79.05490	8.4
80.60835	0.8
81.03425	3.3
81.07054	17.5
83.04966	2.1
83.08619	3.3
85.02908	12.7
85.06532	1.2
91.05474	16.2
93.07041	22.5
94.07391	1.1
95.04997	2.5
95.08603	31.1
96.08926	1.3
97.02872	4.9
97.10168	2.3
98.23232	1.6
99.04394	1.5
103.05486	2.4
105.07026	21.5
107.08593	27.8
109.02872	2.4
109.06554	1.3
109.10160	15.2
111.08074	1.5
111.11684	1.7
117.07022	3.5
119.04922	7.3
119.08578	18.3
121.06499	1.3
121.10145	34.9
123.04430	1.6
123.11713	6.8
127.03923	2.4
129.07011	2.1
131.04987	1.2
131.08582	9.1
133.10121	16.8
135.11681	30.4
137.05954	5.6
137.09601	1.1
137.13280	2.3
143.08557	4.0
145.04999	2.3
145.10115	14.8
147.04404	11.7
147.11664	14.1
149.05959	2.1
149.13266	11.7
151.03877	4.1
151.07576	2.1
157.10135	4.5
159.08069	1.3
159.11694	17.8
161.05917	4.9
161.09590	1.6
161.13263	9.3
163.07451	1.7
163.14812	18.8
165.09161	1.6
167.07066	3.5
169.10101	1.3
171.11719	6.3
173.09659	1.0
173.13260	7.9
175.03912	8.5
175.14812	7.9
177.05510	2.3
177.12814	1.1
177.16347	4.0
179.07028	4.0
180.08752	3.1
183.11641	2.2
185.13263	5.3
187.11209	1.2
187.14825	8.2
189.08981	1.9
189.12767	2.1
189.16362	16.6
191.10643	2.1
191.14278	1.6
191.17929	12.7
195.11708	1.2
197.13277	2.3
199.14803	5.1
201.12715	1.9
201.16380	8.8
202.16971	1.1
203.07042	2.7
203.10701	1.3
203.14302	2.9
203.17972	9.3
205.12294	2.0
205.15846	1.9
207.06531	16.0
207.17365	2.4
211.14833	2.4
213.12837	1.3
213.16399	3.2
215.14322	1.8
215.17981	6.1
217.12418	1.8
217.15816	1.3
217.19508	1.4
219.13794	2.6
221.15245	1.5
227.17912	2.0
229.15924	2.9
229.19525	5.8
230.19833	1.1
231.13962	1.5
233.15198	1.5
239.14383	1.2
239.17964	1.8
241.19597	3.3
243.17346	1.4
245.15376	1.7
247.16937	3.1
247.20624	2.8
249.14888	2.9
253.19482	1.3
255.21175	1.2
259.16962	1.7
263.12744	1.9
265.14291	2.5
275.16458	2.0
277.14374	1.2
279.20901	1.1
283.09668	1.5
289.17871	1.2
293.17499	3.5
300.61020	1.1
303.05002	4.3
307.19049	2.9
313.21768	1.7
327.12256	3.8
327.19510	1.4
329.13779	3.7
341.20953	2.1
351.10773	1.2
359.22217	5.2
361.23679	2.1
363.30457	4.2
373.29120	1.0
381.31580	5.0
383.33139	2.0
391.29846	2.9
409.30991	14.0
410.31311	1.2
419.29279	2.4
427.32162	13.3
428.32556	2.0
437.30624	11.8
438.30789	1.9
445.32990	2.2
453.14865	1.2
455.31561	100.0
456.31982	11.2
473.32614	22.2
474.32800	1.9
521.93359	1.1
604.14661	1.1
670.27301	4.0
671.26630	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.4
55.01883	1.0
55.05521	3.5
57.03428	1.6
57.07071	1.5
61.02915	1.4
65.03941	0.8
66.57455	0.5
67.05508	6.6
69.03417	3.7
69.07070	7.4
70.32782	2.2
71.04987	0.7
73.02924	0.8
73.79723	0.6
79.05096	0.9
79.05497	6.3
81.03402	3.6
81.07059	15.1
83.04987	1.9
83.08614	2.4
85.02902	10.1
91.03942	0.6
91.05481	10.1
93.07048	21.7
94.07396	0.8
95.05005	1.5
95.08607	31.2
96.08949	1.3
97.02911	3.7
97.06551	1.2
97.10161	2.6
99.04465	1.4
103.05477	1.3
105.07038	21.7
107.04974	0.9
107.08595	28.4
109.02888	1.6
109.06513	1.6
109.10158	16.4
109.18513	0.7
111.04469	0.8
111.54877	0.6
115.05440	1.2
117.07007	2.4
119.04993	1.8
119.08581	18.4
120.08901	0.7
121.06531	1.4
121.10146	32.6
122.10480	0.7
123.04466	0.8
123.11710	5.5
125.89897	0.7
127.03916	2.7
128.06216	1.0
129.07028	1.6
131.04895	1.2
131.08553	8.4
133.06413	0.9
133.10133	15.0
135.04419	1.5
135.08122	1.3
135.11697	27.6
136.12056	1.1
137.05988	5.3
137.09673	0.9
137.13252	2.1
141.06934	0.9
143.08549	3.7
145.04941	2.2
145.10129	14.1
147.04436	3.6
147.08069	0.9
147.11676	14.6
149.06015	1.5
149.09581	1.2
149.13254	12.6
150.13553	0.8
151.03925	3.4
151.07506	0.8
153.01837	1.3
153.05492	1.1
155.08551	1.4
157.10146	3.3
159.11690	14.0
161.05975	5.4
161.09657	1.1
161.13261	10.9
163.07512	1.8
163.11206	1.1
163.14827	18.9
164.08368	0.7
165.12807	0.8
167.07086	2.0
169.10136	1.6
171.08047	0.9
171.11668	5.2
173.09657	1.6
173.13260	9.1
175.03964	1.4
175.07588	1.8
175.14818	8.1
177.05530	1.9
177.09117	0.9
177.12877	0.8
177.16359	4.2
179.07057	3.8
179.14384	1.6
180.08649	3.2
181.04912	1.1
183.11748	2.3
184.43462	0.7
185.09689	1.2
185.13278	5.7
187.11165	0.9
187.14792	6.0
189.09125	1.8
189.12799	1.1
189.16377	15.6
191.10683	1.1
191.14330	1.8
191.17935	13.8
192.18309	0.9
193.12247	0.7
197.13286	1.6
199.11108	0.9
199.14812	4.3
201.12776	2.0
201.16394	8.7
203.07100	3.0
203.14362	2.7
203.17955	8.6
205.08565	1.0
205.12254	1.6
205.15981	1.8
205.19705	0.7
207.06525	3.1
207.17509	2.4
211.14807	1.7
213.12775	1.2
213.16454	2.9
215.14314	2.2
215.17993	5.8
217.12244	1.4
217.15910	1.4
217.19527	0.9
219.13802	2.6
225.14705	1.0
225.16553	1.4
227.14388	0.9
227.17975	3.0
229.16000	3.4
229.19522	5.9
230.19879	0.8
231.13864	1.0
231.17418	1.0
233.15363	0.9
239.17955	0.9
241.19597	1.7
243.17610	1.3
243.21117	0.8
247.13283	1.2
247.16971	1.6
247.20587	2.1
249.14896	2.9
253.19608	1.2
255.21037	0.9
261.18542	1.4
263.12805	1.7
265.14398	2.5
267.10062	0.7
267.21094	1.2
269.19104	1.2
271.16919	0.9
275.16507	2.5
279.20959	0.7
281.19110	0.9
283.09787	1.3
287.20126	1.2
289.18024	1.2
293.17468	2.6
295.20282	1.2
297.22400	0.8
299.20309	1.0
303.05078	0.9
307.19101	3.7
309.11261	1.0
313.21487	1.2
327.12146	2.1
327.19614	0.7
329.13910	2.9
333.20587	1.1
341.21127	2.2
343.22739	1.2
345.20673	1.0
359.22104	3.3
361.23804	2.1
363.30435	4.6
373.29044	0.7
381.31503	6.5
383.32990	1.4
391.30145	3.2
409.31003	10.9
410.31424	1.7
419.29523	1.4
427.32202	11.3
428.32120	0.9
437.30548	14.7
438.30798	1.8
445.33069	3.9
455.31558	100.0
456.31915	11.3
473.32590	22.0
474.32669	3.3
489.17862	0.8
670.27216	4.0
671.27142	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	5.9
57.07066	2.4
60.04512	1.8
67.05497	10.1
69.03447	2.9
69.07067	8.8
69.87760	1.8
79.05494	11.0
79.05885	2.0
81.03423	2.7
81.07057	30.0
83.04982	8.2
83.08623	6.4
85.02897	7.5
91.05488	15.2
93.07043	30.2
93.19825	2.0
95.04964	3.7
95.08610	41.8
97.02895	3.0
98.22576	3.5
100.78691	2.0
103.05444	2.7
105.07032	66.9
105.07739	3.7
107.08601	39.3
108.08898	2.9
109.06515	2.3
109.10155	15.5
111.08093	4.7
117.07021	9.0
119.08585	53.0
121.02877	2.8
121.10146	27.5
123.08035	2.9
123.11726	10.0
125.09626	10.0
127.03951	4.0
129.06964	3.6
130.07768	2.2
131.08565	38.7
131.09462	3.3
133.10136	46.4
135.08083	2.7
135.11679	24.2
137.09631	3.1
142.07767	3.0
143.08548	10.1
145.10123	53.5
147.08035	2.8
147.11668	27.0
149.09615	2.3
149.13292	17.1
151.03926	2.6
151.11185	2.9
155.08543	3.3
156.09319	2.4
157.10138	17.1
158.10849	6.2
159.11694	38.3
161.09656	5.3
161.13246	44.7
162.13626	2.2
163.07561	4.2
163.11130	3.9
163.14796	13.1
165.09055	2.0
167.07053	6.4
169.10123	7.6
171.11716	16.4
172.12535	2.4
173.13260	94.3
174.13593	4.3
175.11243	5.1
175.14813	36.6
177.12753	5.3
177.16360	15.3
180.08662	2.5
181.10123	2.3
183.11647	4.5
185.13251	18.2
187.14830	100.0
188.15120	4.3
189.12775	2.7
189.16367	37.0
191.14311	20.6
193.15851	2.5
197.13231	4.3
199.14822	24.5
201.12698	2.6
201.16406	12.0
203.14270	15.8
203.17981	4.0
205.15881	69.8
206.16261	2.8
207.06429	3.9
207.17496	4.5
209.13200	3.1
209.15329	4.7
211.14772	5.1
213.16367	9.2
215.14418	3.6
215.17964	5.7
217.15906	7.1
219.13864	2.7
219.17409	5.5
221.15372	8.6
223.14885	3.0
223.16878	4.6
225.16418	4.8
227.17763	3.0
229.15863	2.1
231.17421	5.7
233.15431	17.8
245.15405	3.9
249.14778	4.5
251.17989	2.1
275.17728	2.1
303.04892	2.9
361.28955	7.1
363.30426	2.4
373.28934	7.0
379.29819	5.8
391.25244	4.3
391.29904	43.3
392.30255	6.7
393.31583	4.2
407.29370	6.1
409.30933	24.6
410.31375	3.9
419.29370	9.0
425.30423	7.6
427.32089	48.2
428.32416	6.2
437.30515	51.1
438.30838	8.2
445.33020	4.6
455.31424	22.1
456.31659	3.0
473.32758	12.3
623.00861	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.4522
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67096	0.7
53.03947	3.5
55.01864	2.4
55.05508	9.3
57.03421	4.5
57.07059	3.2
59.04988	1.9
61.02927	6.3
62.77776	0.7
65.03927	0.9
67.05499	17.4
67.66683	0.8
69.03428	15.6
69.07063	13.4
71.04988	3.6
73.02908	2.7
76.63755	0.7
79.05483	13.5
81.03414	8.9
81.07053	35.6
82.07372	0.8
83.04981	1.8
83.08611	8.1
84.08894	0.8
85.02900	53.7
85.06529	1.5
86.09692	1.8
87.04453	1.6
91.03950	3.1
91.05476	12.7
93.07040	27.7
94.07401	1.0
95.04977	3.8
95.08602	60.1
96.08920	1.4
97.02887	18.2
97.06507	2.9
97.10178	5.5
99.04443	2.4
99.08099	0.7
103.05460	2.0
105.04499	0.9
105.07018	25.3
106.44489	0.7
107.04976	3.6
107.08588	43.6
108.08970	0.8
109.02869	5.3
109.06522	2.5
109.10149	31.7
110.10466	1.5
111.04436	1.7
111.08057	2.3
111.11724	1.0
114.62611	0.7
115.03860	0.8
115.05415	1.0
117.07008	4.6
119.04933	2.4
119.08573	35.5
120.08929	0.9
121.06472	2.2
121.10135	40.0
122.10449	2.4
123.04432	2.5
123.08073	2.0
123.11699	17.7
125.05947	1.1
125.09608	2.5
127.03919	8.5
127.07661	0.7
128.06204	1.0
129.06996	3.6
131.04921	2.2
131.08551	9.2
133.06476	2.2
133.10124	35.3
134.10434	1.0
135.08031	3.1
135.11687	31.0
136.11937	1.1
137.05995	6.8
137.09576	2.6
137.13245	7.6
139.11220	1.5
142.07875	0.8
143.08539	2.6
144.06578	1.6
144.09364	0.9
145.04942	12.3
145.06546	1.4
145.10118	15.4
147.04410	3.4
147.07980	1.3
147.11676	24.5
148.12035	1.3
149.05972	2.2
149.09613	2.3
149.12094	1.3
149.13255	22.4
150.13562	1.3
151.03885	6.3
151.07524	3.0
151.11165	2.7
153.09084	1.4
157.10101	3.5
158.10983	0.7
159.08064	1.5
159.11685	13.2
161.05988	2.2
161.09593	2.0
161.13252	19.1
162.07713	3.7
163.03877	1.9
163.06102	1.2
163.07545	2.4
163.11169	6.7
163.14801	16.9
164.15222	1.1
165.09140	1.8
165.12744	2.0
165.16377	1.5
167.07054	1.0
167.10686	1.7
169.10233	0.8
171.11693	4.0
173.09584	0.8
173.13254	9.6
175.07588	1.7
175.11188	1.4
175.14803	17.2
176.15265	1.2
177.05463	0.8
177.12807	2.0
177.16374	30.0
178.16760	1.8
179.10545	0.8
179.14267	2.1
180.08690	16.7
181.04971	1.2
183.11697	1.4
185.13252	4.0
187.14807	15.3
188.15154	1.3
189.12718	1.3
189.16374	38.7
190.16690	2.3
191.14326	2.0
191.17949	11.1
192.18272	0.9
193.12302	1.3
193.15852	1.0
195.12000	0.8
195.17328	0.8
197.09645	0.7
199.14888	4.2
201.16348	13.5
202.16737	1.1
203.07013	1.2
203.10773	1.3
203.14227	2.2
203.17938	67.4
204.18283	4.9
205.12352	4.8
205.15863	49.2
205.19516	3.4
206.16292	3.4
207.06357	1.1
207.13860	0.9
207.17438	14.4
207.19278	1.5
211.14935	1.0
213.16319	4.8
215.14346	1.2
215.17938	6.5
217.12167	1.2
217.15918	1.9
217.19455	4.4
219.17419	6.6
221.15378	1.3
221.18965	4.1
223.16997	1.5
225.16609	1.1
227.12721	1.8
227.17874	2.0
228.83891	0.8
229.19463	3.7
231.17455	4.4
231.21077	1.5
233.19020	1.2
235.16931	1.1
239.18048	1.1
240.18605	0.8
241.19563	1.6
243.20998	1.2
245.18932	1.4
245.22731	0.9
247.16940	2.7
249.18503	8.4
253.08603	0.8
255.21112	1.6
257.22668	1.1
259.17117	1.1
259.20453	1.2
267.15936	1.5
267.21219	0.8
270.84494	0.8
271.24280	0.8
275.20007	0.8
277.17868	3.7
279.10437	1.0
281.11670	1.0
287.19830	0.9
295.23962	0.9
301.21732	1.2
305.20868	0.9
313.25345	1.1
327.12418	0.9
341.13977	0.8
349.29254	0.8
351.30380	1.3
367.22534	1.6
369.31396	1.2
379.33521	1.4
381.35098	1.7
385.23700	2.8
391.33542	8.1
397.34604	2.5
403.24902	1.3
409.34622	100.0
410.34924	12.1
425.34195	8.1
426.33978	0.8
427.35712	34.8
428.36093	4.0
431.31464	1.5
437.34290	8.8
441.25833	1.1
443.35184	4.3
445.36856	9.6
455.35217	36.9
456.35629	5.3
459.27133	4.9
473.36203	6.9
477.28281	4.0
490.38828	0.8
508.39929	6.9
509.40341	1.3
639.22058	2.0
670.23871	1.0
670.37805	2.6
671.24530	1.4
671.37122	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	670.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93607	1.2
53.03940	2.9
55.01863	2.0
55.05511	8.5
57.03432	3.6
57.07066	2.5
61.02917	3.4
65.03930	2.5
67.05508	15.2
69.03432	9.3
69.07069	11.2
69.50546	6.6
69.50951	2.0
71.04998	2.2
73.02927	1.6
79.05489	16.3
81.03417	7.5
81.07056	30.1
81.95322	1.2
83.04955	1.6
83.08610	6.5
85.02907	35.6
85.06539	1.2
91.03973	1.3
91.05482	17.7
93.07048	38.7
94.07378	1.7
95.04962	2.7
95.08607	57.2
95.09220	2.8
97.02885	11.0
97.06493	1.4
97.10168	4.4
99.04423	2.0
105.07027	25.5
107.08591	46.7
108.02032	1.3
108.08916	3.4
109.02863	4.7
109.06525	2.5
109.10151	37.5
110.10444	2.4
111.04418	1.7
111.08107	1.8
115.43080	1.3
117.07003	7.2
119.04933	3.3
119.08580	40.5
119.09430	2.3
121.09277	2.2
121.10146	44.2
122.10477	2.1
123.08065	1.9
123.11704	17.0
124.12072	1.6
125.06002	2.0
125.09603	1.9
127.03905	8.3
129.06990	2.1
131.08575	18.7
132.08923	1.5
133.10129	35.4
134.10472	2.3
135.07988	1.8
135.11697	44.8
136.12082	2.4
137.05978	2.7
137.09610	4.4
137.13252	6.0
141.07001	1.9
143.08578	4.7
144.09210	1.2
145.04939	7.4
145.10104	19.6
147.04436	3.9
147.08008	1.5
147.11684	32.3
147.12856	1.7
149.09598	1.7
149.13263	19.2
151.03903	47.6
151.04971	2.8
151.11177	4.1
157.10081	6.3
159.11703	21.3
161.13264	27.0
162.07669	2.9
163.11177	1.7
163.14824	26.8
164.15149	1.5
165.09109	3.4
165.12717	2.4
167.07018	2.2
169.04942	5.8
169.10194	2.2
171.11659	6.8
173.13260	15.9
175.03925	4.3
175.14828	19.1
175.16225	2.2
176.15169	1.6
177.12770	2.4
177.16373	18.1
178.16745	1.4
179.14349	10.1
180.08679	17.4
180.81120	1.1
183.11700	3.0
185.13254	6.9
187.14830	15.5
189.12695	1.5
189.16374	38.7
190.16788	2.2
191.14313	4.3
191.17940	24.1
192.18346	2.5
193.12215	3.8
193.15790	3.7
195.06459	8.6
197.13292	2.9
199.14830	8.6
201.16386	35.5
202.16676	2.3
203.14180	1.9
203.17958	32.2
204.18391	1.7
205.15869	4.4
205.19585	2.7
207.06465	7.1
207.13786	2.4
207.17429	7.5
211.14813	1.9
213.16347	7.5
215.17982	12.2
217.08617	1.9
217.19493	9.4
219.17409	11.1
221.15320	1.3
225.16330	2.2
227.17990	5.3
229.19487	15.8
231.21060	5.9
233.19011	4.7
235.16936	2.2
239.17975	3.6
241.19579	3.7
243.21115	3.4
247.16936	4.3
247.20518	8.5
249.18478	1.2
253.19611	2.0
255.21062	4.8
259.09763	5.9
259.20554	2.6
261.22186	2.7
265.18042	4.2
267.21237	2.6
269.22656	3.4
273.22061	2.8
275.20120	2.4
275.23734	1.6
279.19424	2.6
281.22556	1.8
285.18344	1.9
287.19937	1.9
287.23761	1.6
295.08075	3.1
295.24225	1.5
301.21671	2.3
303.04962	6.5
313.09122	2.3
319.22510	2.0
331.22922	1.3
332.47577	1.5
341.13736	4.6
345.24182	1.2
351.30423	1.5
369.31577	1.6
379.33743	2.1
391.33673	8.4
397.34634	2.7
409.34714	29.8
410.34732	3.9
419.32983	2.3
425.34055	5.6
427.30496	2.5
427.35809	34.9
428.36017	3.6
437.34354	20.7
438.34351	4.6
445.36765	12.1
446.36880	2.6
455.35257	100.0
456.35696	13.4
473.36429	41.2
474.36633	6.1
482.77600	1.3
504.68402	1.6
523.15717	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.4521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.0
55.01873	3.9
55.05507	13.8
57.03424	10.1
57.07066	5.7
59.04997	3.5
61.02913	5.9
64.31029	2.1
65.03933	3.1
67.05508	33.8
69.03432	21.2
69.07071	24.1
71.04994	8.1
71.32540	3.2
74.60637	2.1
79.05508	23.4
81.03421	14.1
81.07061	77.3
82.07401	2.2
83.04984	5.0
83.08621	10.4
85.02906	54.9
85.06537	5.6
91.03944	2.8
91.05483	31.2
93.07045	60.7
94.07386	2.7
95.04971	9.0
95.08610	100.0
96.08938	5.7
97.02901	24.1
97.06514	6.7
97.10165	10.5
98.10472	2.6
99.04417	3.5
99.08054	3.8
103.05468	6.7
105.07036	58.3
107.04946	3.1
107.08598	71.2
108.08933	4.1
109.02869	9.0
109.06508	5.3
109.10156	69.0
109.10895	3.9
110.10476	2.5
111.04460	3.9
111.08081	7.5
111.11740	3.8
115.05458	2.2
117.07017	7.2
119.04915	4.7
119.08588	70.1
120.08924	2.8
121.06502	8.2
121.10152	70.0
122.10436	2.8
123.04444	6.4
123.08031	5.3
123.11717	24.2
125.09633	6.9
127.03915	14.1
128.69991	2.0
129.06999	6.4
130.37318	2.0
131.04953	2.5
131.08591	22.1
133.06413	5.0
133.09172	4.0
133.10135	54.0
135.04456	4.5
135.08072	4.6
135.11685	58.4
136.12097	3.2
137.05965	17.2
137.09622	6.1
137.13271	10.7
139.03882	3.0
139.11182	5.0
143.08566	8.5
143.10663	6.6
145.02846	3.3
145.04941	11.7
145.10130	44.2
147.04419	6.6
147.08054	4.4
147.11682	54.6
149.05959	6.4
149.09627	6.4
149.13252	56.9
151.03906	13.5
151.07582	6.9
151.11205	5.5
152.06998	2.2
153.01859	3.6
153.09055	2.9
155.08531	2.8
157.06483	2.8
157.10152	7.2
159.11702	29.9
161.05960	6.8
161.09575	6.3
161.13271	58.9
162.07588	7.5
163.03874	2.8
163.07513	5.6
163.11220	4.1
163.14821	27.3
164.08337	5.4
165.05498	5.7
165.09129	9.4
165.12752	2.7
167.07048	7.7
167.10597	2.3
169.10069	4.1
171.11662	12.4
173.09630	3.2
173.13252	30.3
175.03867	2.3
175.07579	2.6
175.11195	3.1
175.14816	29.7
177.05486	7.6
177.09206	2.7
177.12793	3.9
177.16402	38.7
178.12241	5.1
178.16716	2.8
179.14316	4.0
180.08691	18.1
181.04939	9.3
183.11729	2.1
185.05992	3.0
185.13281	9.5
187.07532	2.5
187.14822	31.5
189.09125	5.6
189.12793	3.1
189.16388	68.7
190.16733	3.9
191.14310	9.9
191.17963	72.1
192.18353	3.4
193.08682	3.4
193.15877	6.9
197.13324	4.5
199.14882	10.9
201.16389	34.9
203.10721	3.4
203.17955	58.2
205.12335	3.5
205.15919	13.3
205.19510	7.2
207.06552	6.8
207.10153	2.6
207.14053	2.6
207.17461	64.4
208.17815	3.6
213.16397	9.2
215.14241	3.5
215.17995	14.4
217.15947	3.9
217.19473	13.8
219.10225	3.2
219.17479	29.5
221.07979	3.4
221.19008	4.1
227.18004	4.5
229.19525	6.2
231.17403	7.4
231.21074	2.8
233.15388	5.0
233.19038	6.6
235.07565	2.3
235.16997	3.0
238.16612	2.6
241.19380	5.7
243.20981	3.6
245.19011	2.4
247.16945	12.2
249.08997	3.1
249.18501	4.6
257.22610	2.8
259.20499	2.5
265.05164	2.2
265.17908	2.6
273.22089	3.8
277.08282	2.6
277.17984	2.7
283.09628	3.1
285.11246	4.6
291.10077	4.1
299.09204	2.9
303.04993	4.1
309.11072	3.2
311.12766	5.5
325.10767	4.6
337.10663	32.2
338.11053	3.7
339.12576	5.6
351.30399	4.8
369.31439	9.6
379.33658	4.2
391.33542	9.2
395.08990	4.2
397.30405	3.0
397.34735	5.1
409.34744	74.9
410.34998	8.1
425.34250	13.5
427.30298	3.6
427.35791	53.0
428.36105	6.8
437.34415	25.1
438.35049	2.5
445.36737	25.2
455.35361	79.9
456.35495	9.2
473.36362	42.6
474.36401	4.6
491.37598	4.5
499.15619	6.8
548.16315	2.8
595.22461	2.9
639.22021	28.8
670.35999	5.3
671.24634	41.1
671.35870	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	670.4521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.0
55.01873	3.9
55.05507	13.8
57.03424	10.1
57.07066	5.7
59.04997	3.5
61.02913	5.9
64.31029	2.1
65.03933	3.1
67.05508	33.8
69.03432	21.2
69.07071	24.1
71.04994	8.1
71.32540	3.2
74.60637	2.1
79.05508	23.4
81.03421	14.1
81.07061	77.3
82.07401	2.2
83.04984	5.0
83.08621	10.4
85.02906	54.9
85.06537	5.6
91.03944	2.8
91.05483	31.2
93.07045	60.7
94.07386	2.7
95.04971	9.0
95.08610	100.0
96.08938	5.7
97.02901	24.1
97.06514	6.7
97.10165	10.5
98.10472	2.6
99.04417	3.5
99.08054	3.8
103.05468	6.7
105.07036	58.3
107.04946	3.1
107.08598	71.2
108.08933	4.1
109.02869	9.0
109.06508	5.3
109.10156	69.0
109.10895	3.9
110.10476	2.5
111.04460	3.9
111.08081	7.5
111.11740	3.8
115.05458	2.2
117.07017	7.2
119.04915	4.7
119.08588	70.1
120.08924	2.8
121.06502	8.2
121.10152	70.0
122.10436	2.8
123.04444	6.4
123.08031	5.3
123.11717	24.2
125.09633	6.9
127.03915	14.1
128.69991	2.0
129.06999	6.4
130.37318	2.0
131.04953	2.5
131.08591	22.1
133.06413	5.0
133.09172	4.0
133.10135	54.0
135.04456	4.5
135.08072	4.6
135.11685	58.4
136.12097	3.2
137.05965	17.2
137.09622	6.1
137.13271	10.7
139.03882	3.0
139.11182	5.0
143.08566	8.5
143.10663	6.6
145.02846	3.3
145.04941	11.7
145.10130	44.2
147.04419	6.6
147.08054	4.4
147.11682	54.6
149.05959	6.4
149.09627	6.4
149.13252	56.9
151.03906	13.5
151.07582	6.9
151.11205	5.5
152.06998	2.2
153.01859	3.6
153.09055	2.9
155.08531	2.8
157.06483	2.8
157.10152	7.2
159.11702	29.9
161.05960	6.8
161.09575	6.3
161.13271	58.9
162.07588	7.5
163.03874	2.8
163.07513	5.6
163.11220	4.1
163.14821	27.3
164.08337	5.4
165.05498	5.7
165.09129	9.4
165.12752	2.7
167.07048	7.7
167.10597	2.3
169.10069	4.1
171.11662	12.4
173.09630	3.2
173.13252	30.3
175.03867	2.3
175.07579	2.6
175.11195	3.1
175.14816	29.7
177.05486	7.6
177.09206	2.7
177.12793	3.9
177.16402	38.7
178.12241	5.1
178.16716	2.8
179.14316	4.0
180.08691	18.1
181.04939	9.3
183.11729	2.1
185.05992	3.0
185.13281	9.5
187.07532	2.5
187.14822	31.5
189.09125	5.6
189.12793	3.1
189.16388	68.7
190.16733	3.9
191.14310	9.9
191.17963	72.1
192.18353	3.4
193.08682	3.4
193.15877	6.9
197.13324	4.5
199.14882	10.9
201.16389	34.9
203.10721	3.4
203.17955	58.2
205.12335	3.5
205.15919	13.3
205.19510	7.2
207.06552	6.8
207.10153	2.6
207.14053	2.6
207.17461	64.4
208.17815	3.6
213.16397	9.2
215.14241	3.5
215.17995	14.4
217.15947	3.9
217.19473	13.8
219.10225	3.2
219.17479	29.5
221.07979	3.4
221.19008	4.1
227.18004	4.5
229.19525	6.2
231.17403	7.4
231.21074	2.8
233.15388	5.0
233.19038	6.6
235.07565	2.3
235.16997	3.0
238.16612	2.6
241.19380	5.7
243.20981	3.6
245.19011	2.4
247.16945	12.2
249.08997	3.1
249.18501	4.6
257.22610	2.8
259.20499	2.5
265.05164	2.2
265.17908	2.6
273.22089	3.8
277.08282	2.6
277.17984	2.7
283.09628	3.1
285.11246	4.6
291.10077	4.1
299.09204	2.9
303.04993	4.1
309.11072	3.2
311.12766	5.5
325.10767	4.6
337.10663	32.2
338.11053	3.7
339.12576	5.6
351.30399	4.8
369.31439	9.6
379.33658	4.2
391.33542	9.2
395.08990	4.2
397.30405	3.0
397.34735	5.1
409.34744	74.9
410.34998	8.1
425.34250	13.5
427.30298	3.6
427.35791	53.0
428.36105	6.8
437.34415	25.1
438.35049	2.5
445.36737	25.2
455.35361	79.9
456.35495	9.2
473.36362	42.6
474.36401	4.6
491.37598	4.5
499.15619	6.8
548.16315	2.8
595.22461	2.9
639.22021	28.8
670.35999	5.3
671.24634	41.1
671.35870	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	670.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.5
55.01854	2.0
55.05516	7.5
55.05741	1.2
57.03428	3.4
57.07081	3.3
59.17398	1.2
61.02941	5.8
65.03954	1.2
67.05501	15.6
69.03432	10.6
69.07078	10.3
70.58983	1.6
70.59296	1.7
71.05005	2.5
71.08631	1.1
73.02908	3.1
74.64358	1.0
79.05495	12.7
81.03416	7.6
81.07061	31.9
83.04973	1.3
83.08627	7.2
85.02906	44.4
85.06539	1.3
87.04445	1.5
91.03969	2.6
91.05474	12.9
93.07052	24.8
95.04957	3.0
95.08612	51.4
96.08937	2.2
97.02895	19.4
97.06524	1.8
97.10149	3.4
99.04451	1.8
105.07033	25.0
106.07358	1.1
107.04997	1.9
107.08595	38.8
108.08933	1.9
109.02876	4.7
109.06528	1.8
109.10159	30.1
111.08106	2.1
111.11712	1.6
117.07014	3.0
117.09164	1.0
119.08588	31.6
121.06505	1.5
121.09267	2.0
121.10149	41.2
123.08076	2.0
123.11726	16.3
125.09647	2.8
127.03943	7.0
129.07014	1.8
130.14203	1.1
131.08560	8.6
133.06456	1.6
133.10135	33.9
134.10480	1.2
135.08093	1.2
135.11693	30.4
137.06009	5.3
137.09616	2.0
137.13260	8.9
139.11212	1.9
143.08609	3.2
144.06590	1.7
145.04977	10.3
145.10132	14.2
147.04381	1.5
147.11700	22.0
149.06004	2.1
149.09636	2.0
149.13266	24.3
151.03886	4.4
151.07587	2.1
151.11165	2.2
151.14819	1.6
153.09084	1.9
153.12788	1.7
157.10130	3.6
159.11696	16.9
161.06010	2.1
161.13274	21.0
162.07642	4.6
163.03946	1.2
163.06079	1.9
163.07571	2.5
163.11215	6.2
163.14821	16.5
165.09146	1.7
165.12749	1.4
167.10793	1.0
171.11673	3.5
173.13225	9.4
174.13751	1.1
175.11229	1.3
175.14807	16.4
177.12846	2.3
177.16393	31.1
179.14352	1.4
180.08665	17.1
185.13275	3.4
187.14830	14.2
189.16380	36.3
190.16684	1.3
191.14294	2.1
191.17931	10.3
193.12289	1.7
193.15981	2.5
199.14815	3.8
201.16360	13.1
203.17964	67.1
204.18346	3.5
205.15897	47.2
205.19524	3.4
206.16260	2.1
207.17487	10.4
208.17772	1.3
213.16434	4.5
215.17911	7.1
217.15903	1.9
217.19543	3.7
219.17456	5.2
221.19029	4.3
223.16936	1.3
227.17952	1.8
229.19412	2.7
231.17484	3.7
231.21080	2.6
233.15483	1.4
233.19139	2.2
239.17920	1.6
241.19580	1.9
243.21115	2.4
247.17026	3.8
249.18436	7.4
253.19708	1.1
255.21028	1.3
257.22617	1.8
270.14047	1.3
277.17981	3.0
300.09424	1.3
329.67551	1.2
351.30460	1.5
367.22614	1.6
367.30045	1.7
369.31528	1.4
381.35089	1.4
385.23691	2.3
391.33502	7.4
397.34778	3.2
409.34668	100.0
410.34982	10.8
425.34436	7.0
427.35739	36.1
428.36023	4.1
431.31537	2.0
437.34436	10.8
443.35193	3.4
445.36798	11.1
446.37030	2.0
455.29349	2.1
455.35312	37.0
455.41730	2.0
456.35626	4.5
459.27164	3.2
473.36871	6.4
477.28299	4.6
508.39883	7.2
570.53406	1.5
639.21533	1.4
671.24921	1.3
671.36639	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	670.4524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	4.9
55.01883	3.8
55.05515	13.3
57.03439	7.0
57.07082	5.3
60.04509	1.8
61.02925	6.5
61.23447	1.7
65.03944	1.9
67.05507	28.0
67.74517	1.6
69.03438	14.1
69.07073	19.9
71.05003	5.5
71.29332	1.5
78.17268	1.7
79.05492	20.9
81.03418	12.3
81.07059	58.7
83.04974	2.4
83.08624	12.7
83.26752	1.7
85.02905	61.5
85.06580	2.0
87.04489	1.7
91.03944	3.8
91.05475	26.7
93.07049	42.1
93.07602	3.0
95.04967	6.2
95.08608	92.5
96.08984	3.1
97.02895	15.5
97.06538	4.2
97.10185	8.2
99.04461	2.9
103.05492	2.8
105.07028	40.1
107.04965	3.5
107.08598	63.2
109.02872	6.0
109.06527	3.5
109.10159	66.8
111.08072	4.6
111.11719	2.6
111.68062	1.9
115.05487	2.1
117.07033	7.0
119.04968	2.7
119.08585	60.9
121.10146	58.9
122.10550	2.7
123.08075	4.6
123.11714	28.2
125.09628	4.1
127.03947	10.0
131.04915	3.2
131.08571	23.6
133.06541	2.0
133.10130	47.1
134.10440	2.8
135.08116	2.6
135.11697	51.6
136.12041	3.1
137.05936	8.5
137.09648	3.4
137.13245	13.1
139.11176	3.0
143.08585	6.1
145.04991	14.1
145.10136	40.4
145.11232	3.3
146.10530	2.1
147.04416	4.7
147.08057	2.8
147.11684	38.8
149.06030	2.3
149.09673	3.4
149.13252	33.1
151.03964	10.6
151.07527	4.5
151.14854	3.1
153.01909	2.2
157.10104	8.7
159.08130	2.7
159.11694	34.8
161.05977	2.5
161.13268	37.0
162.07719	2.6
163.07578	4.1
163.11212	3.9
163.14818	35.8
165.09163	3.6
165.12718	2.3
169.10114	4.1
171.11679	8.8
172.12349	2.0
173.13237	24.1
175.07573	2.3
175.14822	28.9
176.15228	2.2
177.09253	2.1
177.12756	2.3
177.16376	17.7
178.62874	1.9
179.14359	6.0
179.17923	4.2
180.08664	24.0
183.11745	3.9
185.13318	11.4
187.14824	38.6
188.15236	2.4
189.12697	2.5
189.16408	43.8
189.18018	3.3
191.14363	6.9
191.17950	88.0
192.18262	4.9
193.15971	7.6
199.14799	10.7
201.12679	2.2
201.16386	37.4
203.14255	3.0
203.17975	38.7
205.15868	18.7
205.19583	7.6
206.16251	2.3
207.17450	17.1
208.17758	2.2
211.14821	2.5
213.16414	6.1
215.14529	2.4
215.17998	11.5
217.12311	2.8
217.15945	8.0
217.19484	15.2
219.13927	3.2
219.17450	32.9
221.15451	2.6
221.18993	6.1
227.18027	7.7
229.16121	3.0
229.19618	10.3
231.17502	3.0
231.21075	3.9
233.15395	6.4
233.19019	2.8
235.16931	4.0
241.19542	3.5
243.21185	4.4
245.22586	2.4
247.16911	15.2
247.20590	4.6
253.19408	2.0
255.21049	4.5
257.22665	2.5
259.20731	2.5
265.18018	7.7
267.21143	2.9
269.22580	2.5
273.22107	4.6
289.21552	2.2
299.12799	2.3
303.23114	2.3
351.30423	6.9
367.22403	2.8
369.31503	91.7
370.31857	6.1
385.23480	4.3
391.33737	9.7
397.30426	2.8
397.34766	8.4
409.34674	74.1
410.35190	8.7
425.34140	6.4
426.34814	2.0
427.35782	69.4
428.36139	9.0
437.34427	22.3
438.34521	3.1
447.51367	2.0
455.35336	100.0
456.35757	11.4
459.27521	10.0
473.36719	37.4
474.36685	3.1
477.28320	7.4
508.40070	4.4
670.26331	2.3
670.37292	6.2
671.25604	2.5
671.36877	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	670.4525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.5
55.01863	2.7
55.05506	10.3
55.65624	0.9
57.03446	6.2
57.07071	4.2
59.05017	1.4
60.04506	1.1
60.14703	0.9
61.02926	7.5
67.05503	23.4
69.03431	17.1
69.07071	17.9
70.99813	1.4
71.04986	6.0
73.02921	3.1
77.03920	1.5
79.05490	14.3
81.03426	7.4
81.06570	2.6
81.07056	53.1
82.07396	1.5
83.04964	1.4
83.08618	9.7
85.02905	52.9
85.06513	1.1
87.04493	1.0
91.03953	3.2
91.05473	16.8
93.06451	2.3
93.07043	38.5
94.07378	1.4
95.04980	3.0
95.08606	80.0
96.08957	2.8
97.02892	21.5
97.06509	2.8
97.10160	6.1
99.04452	8.5
99.08064	1.6
103.05470	3.2
105.07031	48.1
106.07340	1.4
107.04979	1.8
107.08592	58.2
108.08920	1.5
109.02898	5.5
109.06524	2.7
109.10155	63.3
111.08072	3.4
111.11720	2.5
115.03954	1.2
117.07021	5.6
119.05002	1.4
119.08583	58.5
120.08884	2.8
121.06494	1.5
121.10145	52.0
122.10504	1.6
123.08100	3.6
123.11708	27.4
125.05985	1.6
125.09640	2.4
127.03905	9.9
128.06216	1.2
129.07016	2.9
131.04971	1.8
131.08565	17.9
133.06471	2.3
133.10129	47.1
135.08072	2.1
135.11693	50.6
136.11995	2.1
137.05986	4.0
137.09613	1.5
137.13254	13.7
138.13564	1.1
143.08566	5.3
145.04968	15.4
145.08974	2.0
145.10123	35.6
146.10532	1.0
147.11684	38.2
148.12065	1.6
149.09718	1.3
149.12100	2.0
149.13254	24.4
150.13571	1.3
151.03911	3.9
151.07520	3.2
151.11185	1.5
151.14825	3.0
153.01857	1.9
153.12735	1.6
157.10097	6.3
159.11682	28.5
160.12115	1.1
161.05975	1.5
161.09645	13.2
161.13257	36.7
162.07643	2.7
162.13603	1.2
163.06030	2.9
163.07555	3.3
163.11177	5.8
163.14832	31.1
164.15190	1.7
165.09152	1.9
165.12831	2.3
169.10092	1.7
171.11685	9.2
173.09610	1.4
173.13257	17.3
175.07690	1.6
175.14821	25.6
176.15250	1.6
177.12634	1.3
177.16374	12.3
179.10669	8.1
179.14290	5.1
179.17941	5.0
180.08676	19.1
183.11647	2.0
185.13300	6.5
187.14816	32.0
189.09128	3.4
189.12752	3.0
189.16391	36.5
191.14371	5.0
191.17944	79.6
192.18291	4.5
193.15871	4.1
195.11809	1.1
197.13188	1.8
199.14786	8.4
201.05647	1.3
201.16379	30.0
201.18129	2.1
203.10725	1.6
203.14368	2.4
203.17946	32.2
204.18324	2.2
205.12239	3.1
205.15891	11.2
205.17557	1.6
205.19481	6.5
207.10136	1.5
207.17430	13.4
211.14795	1.5
213.16359	6.3
215.17950	10.2
217.12126	2.4
217.15915	4.4
217.19493	14.7
219.13840	2.9
219.17439	26.2
219.20900	1.6
220.17937	1.3
221.11801	2.1
221.15384	1.8
221.18965	2.3
225.16428	1.5
227.17960	5.8
229.14090	1.7
229.16042	2.4
229.19484	10.5
231.17407	2.9
231.21082	4.9
233.15417	5.7
233.18968	1.7
235.17030	2.4
241.19368	2.0
243.21069	4.3
245.15292	2.6
245.19032	4.1
245.22736	1.5
247.16959	11.5
247.20590	4.0
253.19440	1.7
255.21123	4.3
257.22623	2.0
259.17133	1.3
259.20419	1.8
261.22174	2.4
263.16513	1.7
265.17932	8.1
269.22644	3.3
273.18423	1.7
273.22104	3.9
275.20074	1.5
281.22589	2.1
283.24228	1.8
285.22052	2.1
287.23596	2.1
299.23425	1.4
303.04971	21.7
305.21014	1.2
319.22757	2.0
325.10638	1.9
331.22662	2.1
351.30450	10.0
369.15704	2.4
369.31503	100.0
370.31897	9.5
391.33618	8.0
391.87589	1.0
392.34021	1.3
397.30670	2.7
397.34756	4.3
409.34665	71.1
410.35153	7.1
419.33337	1.7
425.34128	3.6
427.35718	66.9
428.36249	8.1
437.34241	18.1
438.34424	1.8
443.35367	1.6
445.33002	1.4
455.35196	95.7
456.35605	9.6
472.37543	1.1
473.36301	36.4
474.36877	5.4
490.38690	2.8
508.39957	1.4
616.45593	1.1
638.20380	1.1
671.38367	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	670.4552
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.9
53.03941	1.3
55.01862	1.1
55.05507	5.2
57.03425	1.6
57.07063	2.2
59.04979	1.5
61.02918	1.0
65.03933	1.5
67.05497	8.4
68.41956	0.5
69.03432	7.4
69.03859	1.5
69.06712	0.7
69.07067	9.3
71.04959	1.4
71.08641	0.8
73.02899	0.8
77.03874	0.8
79.05484	6.0
81.03427	3.6
81.07050	16.4
82.07394	0.6
83.04985	2.8
83.08618	6.6
84.10823	0.6
85.02907	6.4
85.06511	1.6
91.05472	7.9
93.07042	16.2
94.07368	0.7
95.04970	1.6
95.08599	31.7
96.08940	1.0
96.54030	0.5
97.02879	2.4
97.06515	1.6
97.10154	4.5
99.04414	0.9
99.08104	0.9
103.05453	1.7
105.07022	17.1
107.04945	1.1
107.08589	27.2
109.02888	1.1
109.06537	1.2
109.10148	23.5
110.10454	1.0
111.04411	0.6
111.08092	4.6
111.11708	2.0
115.05466	0.8
117.07010	2.2
119.04869	0.8
119.08572	47.0
120.08929	1.8
120.36522	0.6
121.06521	1.2
121.10129	23.0
122.03649	0.9
122.10456	0.9
123.04430	0.7
123.08043	2.2
123.11696	6.3
124.39181	0.6
125.05950	1.0
125.09629	1.7
127.03893	1.4
129.06967	0.9
131.04878	1.4
131.08551	1.9
131.22572	0.6
133.06439	1.0
133.10121	42.9
134.10443	2.2
135.08046	3.3
135.11685	16.5
137.05974	11.2
137.09612	2.9
137.13292	1.6
138.06288	1.3
139.07535	3.4
143.08478	0.9
145.04965	1.0
145.06479	0.8
145.10139	2.8
147.04391	1.8
147.08029	1.5
147.11678	21.1
149.05902	1.1
149.13258	13.0
150.13588	0.7
151.03903	11.1
151.05006	1.3
151.07501	5.4
151.11171	1.7
152.04268	0.9
153.09100	17.3
157.06445	0.8
157.10162	1.2
159.11694	2.1
160.12415	0.6
161.05965	2.0
161.09663	0.8
161.13254	5.5
163.03885	1.0
163.07491	3.3
163.11169	1.1
163.14824	3.4
165.05556	0.9
165.09122	8.4
165.12857	0.7
165.16338	1.2
167.10655	1.0
171.11702	1.2
175.07521	1.9
175.11234	1.0
175.14857	0.9
179.10655	4.0
179.17912	0.7
180.08687	0.8
187.07594	0.7
187.14856	2.7
189.09039	1.4
189.16376	100.0
190.16698	6.4
193.08583	2.9
193.12225	3.2
201.09081	1.1
203.10764	0.7
203.17946	3.9
204.18272	0.6
207.17429	97.1
208.17772	5.3
213.16377	2.5
225.18481	34.6
226.18805	1.9
231.17371	8.3
249.18489	85.9
250.18752	6.4
267.10156	0.9
267.19528	18.5
268.19901	1.0
275.09875	0.6
275.27362	2.8
285.11145	1.0
291.82639	0.5
293.28412	1.3
297.11047	0.7
297.32050	0.6
297.43759	0.6
309.11362	0.8
319.13126	0.7
325.14236	1.0
327.12271	1.3
337.14285	0.7
343.15323	0.7
345.13373	2.0
366.17252	0.7
455.31180	1.2
473.19620	1.4
473.36026	0.8
480.38281	0.7
491.20346	0.9
533.16968	0.6
670.33685	7.0
671.35205	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88310	0.2
51.02392	0.3
53.03947	0.4
55.01866	0.4
55.20126	0.2
57.03437	0.3
64.03147	0.3
65.03932	1.8
68.30682	0.2
68.99788	0.9
69.03425	0.5
70.46497	0.5
70.46826	0.2
71.04975	0.2
71.39978	0.2
71.57852	0.2
73.02914	0.2
76.03169	0.3
77.03928	0.6
79.05489	0.4
81.03396	0.9
85.02901	0.9
88.24878	0.2
89.03915	0.8
91.05478	26.6
92.05796	0.6
93.07042	0.2
95.04969	0.6
97.02888	0.4
103.05448	0.8
105.03399	0.7
105.07003	0.3
107.04950	0.5
109.02853	0.7
109.10181	0.2
111.00819	0.8
117.07037	0.3
118.04150	0.6
119.04940	36.6
120.05260	1.2
121.02889	1.0
121.06585	0.3
123.04441	0.3
127.03944	0.4
129.03354	0.7
129.04456	0.4
131.04922	0.3
132.02086	2.1
133.02856	0.6
133.10037	0.2
135.04437	0.5
136.05219	0.6
137.02348	2.6
137.12279	0.2
145.02794	0.8
145.06479	0.3
145.10069	0.3
147.04401	32.0
148.04718	1.2
149.02328	1.7
153.01820	3.8
155.04919	0.2
157.03964	3.3
160.87320	0.2
161.06001	0.6
162.03085	0.4
163.03922	1.1
163.76923	0.3
164.04694	1.0
165.01816	2.0
166.02541	0.3
173.06033	0.5
175.03899	55.3
176.04231	2.4
179.07011	3.2
183.02898	0.7
183.04370	0.3
187.03922	0.5
192.04149	0.8
195.02936	0.3
201.05460	1.5
205.04866	0.3
207.06514	100.0
208.06850	4.8
219.06532	0.5
225.07390	0.4
229.04979	3.7
230.05524	0.3
233.07964	0.3
235.06000	0.3
247.05957	0.6
252.88795	0.2
257.04434	2.3
263.09082	0.3
274.04785	0.4
285.03918	1.0
291.08630	0.8
303.04971	67.1
304.05307	4.4
304.08780	0.3
309.09738	0.4
331.15283	0.2
333.09668	0.4
345.06107	0.4
351.10867	1.3
369.11774	8.3
370.12076	0.7
444.25897	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29057	0.5
55.39150	0.6
68.07619	0.6
69.08807	5.4
80.05849	0.7
82.56919	0.6
92.74672	0.5
93.21773	0.5
98.23309	1.3
105.06995	0.7
107.04975	0.7
115.35702	0.6
137.05998	2.6
143.33055	0.6
147.04407	0.8
151.03925	1.2
161.05978	0.9
175.07617	0.8
176.04495	0.6
178.59399	0.7
181.04837	0.7
189.05215	15.4
201.05286	0.9
202.06003	2.8
203.06876	1.4
205.04691	3.2
215.06749	0.8
216.07553	6.5
217.08418	1.1
219.06300	1.6
232.07195	2.8
233.07826	17.0
234.08607	10.2
235.09161	0.8
247.09419	12.7
248.09848	1.0
303.04935	0.7
366.31619	0.6
415.17319	0.8
429.15244	5.5
443.16754	12.3
444.17444	6.3
445.18372	1.0
459.16312	2.6
463.81476	0.7
639.24170	0.7
641.25824	1.1
671.26697	100.0
672.27081	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	671.267
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	0.6
75.94064	0.4
85.08793	0.4
86.26864	0.4
91.05449	0.5
98.23336	0.7
103.05444	0.5
109.10190	0.4
121.06490	0.4
122.03646	0.5
123.04406	0.5
131.04985	0.7
135.04448	1.4
137.05948	4.0
138.06322	0.7
151.03935	0.7
151.07549	0.7
153.01898	0.8
163.03912	0.5
163.07565	1.0
164.08292	0.4
167.07101	0.4
175.07552	0.6
181.05019	0.5
189.05206	14.8
190.05608	0.8
201.05237	0.7
202.05968	4.5
203.06850	1.1
205.04733	1.2
215.06865	0.7
216.07576	8.4
216.09479	0.7
217.08308	0.9
219.06233	1.9
232.07137	1.6
233.07829	14.0
234.08600	9.5
234.10707	0.7
247.09409	10.0
247.11827	0.6
249.07292	0.6
263.08966	0.7
337.55612	0.4
413.15631	0.9
427.17245	1.0
429.15140	5.2
443.16754	13.4
443.22543	0.8
444.17474	6.1
445.18341	1.1
459.16205	2.5
460.17038	0.5
495.24551	0.4
581.49835	0.4
641.25659	1.0
671.26703	100.0
672.27026	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	671.324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62730	0.2
67.05511	0.3
69.27837	0.2
70.49684	0.1
79.05479	0.3
81.07053	0.3
86.61065	0.2
95.08617	0.3
119.08613	0.2
125.05780	0.2
167.11798	0.3
185.04170	1.1
203.05252	1.9
245.06384	0.4
259.07864	1.0
275.07431	0.7
289.08896	0.4
305.08304	1.3
329.08496	0.3
347.09497	3.0
365.10495	6.3
366.10910	0.4
421.13086	2.5
488.69421	0.2
509.27194	7.9
510.27145	0.8
568.08411	0.2
671.32379	100.0
672.32715	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	671.3331
Annotation	Malekulatine
Peak:m/z	Relative Intensity
52.81332	1.3
55.05497	1.9
55.92412	1.2
67.05495	4.0
69.07059	3.0
69.58442	3.3
69.58856	2.5
79.05476	2.3
81.07046	4.2
83.08620	1.5
84.58933	1.0
91.05457	3.1
93.07025	3.9
95.08635	4.9
97.34557	1.1
98.22603	1.5
105.07023	2.9
107.08567	2.5
109.10157	2.0
111.08080	1.4
113.79859	1.0
119.08559	2.0
120.92916	1.0
121.10133	2.4
123.08004	1.2
131.08522	1.4
145.10139	1.4
149.13266	1.1
153.09198	1.3
157.10199	1.3
162.06715	1.2
189.09084	1.4
219.02669	4.5
227.43774	1.1
323.22748	1.2
475.31879	4.0
491.31381	7.5
492.31580	1.4
671.33600	100.0
672.33777	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	671.34
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.6
67.05508	5.0
69.07063	1.6
77.14024	0.5
79.05495	3.5
81.03427	2.8
81.07054	5.3
83.08638	0.7
91.05480	2.0
92.05836	0.5
93.07049	3.5
95.04991	1.5
95.08608	3.9
96.08937	0.5
97.06522	1.0
97.10177	1.0
100.08680	0.5
105.07035	2.6
107.05017	0.6
107.08609	2.4
109.06514	0.9
109.10176	2.3
111.04264	0.7
111.08091	0.5
119.08598	1.9
121.06488	0.9
121.10172	2.1
123.08053	0.7
123.11758	0.6
131.08572	0.9
133.10147	1.9
135.08080	0.8
135.11696	0.7
137.05965	0.9
137.09616	1.6
145.10220	0.8
147.11678	1.0
149.09630	0.6
149.13261	0.6
157.10233	0.8
158.26355	0.5
161.13263	1.4
173.09688	0.9
175.07516	0.7
193.04759	1.4
193.12047	2.0
195.10007	0.6
205.12361	1.7
230.05522	1.1
231.06465	0.5
238.60464	0.5
245.13553	0.5
247.05768	0.7
247.13158	1.4
263.16214	0.8
265.14117	0.6
271.09982	0.6
289.14212	1.8
329.13605	4.3
331.18878	0.9
333.13116	5.8
347.14679	5.1
349.19821	13.5
350.20398	1.0
355.18976	0.6
371.18350	1.6
373.19919	1.8
381.16779	1.6
383.18387	1.0
387.17819	0.8
391.21082	1.2
399.17850	3.9
400.18616	0.9
401.19522	2.0
417.18829	13.9
418.19299	0.9
423.13763	1.0
435.19916	22.0
436.20309	1.8
453.22757	0.7
471.23532	5.0
489.24597	4.9
490.24902	0.6
523.22797	0.6
530.39069	5.1
531.39893	0.9
565.27844	0.6
575.26270	0.6
583.29114	1.0
593.27393	1.2
599.43134	1.0
607.32172	1.4
617.31189	1.2
625.33411	1.5
635.31659	4.1
636.32587	0.8
653.32928	100.0
654.33276	14.6
671.33844	72.9
672.34216	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	671.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38966	1.1
69.80634	2.2
69.81026	2.7
70.06614	1.4
72.88821	1.1
105.07016	1.2
107.04935	1.1
119.08543	1.6
127.80568	1.0
137.05977	2.5
153.01804	1.4
163.07646	1.6
167.07022	2.1
181.04941	1.9
185.04193	5.1
189.05234	1.5
195.10216	1.1
205.04736	7.1
233.07803	2.1
359.36676	1.3
467.79480	1.1
509.32339	22.6
510.32568	2.0
607.81671	1.3
609.43134	1.1
614.71790	1.2
671.18732	4.7
671.26874	12.6
671.37421	100.0
672.26904	4.3
672.37628	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	671.3914
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07214	0.5
54.22027	0.5
55.01868	0.5
55.05506	1.2
62.20285	0.4
67.05499	2.2
69.07064	1.5
69.31425	1.0
69.31818	3.6
70.91027	0.5
78.63934	0.5
78.90707	0.4
79.05498	1.0
81.07047	2.9
83.08627	1.0
87.87553	0.5
89.61543	0.5
91.05505	1.5
93.07048	1.2
95.08604	3.1
97.10196	0.5
105.07061	1.6
107.08620	2.6
109.10164	1.6
112.42986	0.5
119.08577	1.6
121.10155	1.3
123.08144	0.5
123.11835	0.6
131.08578	0.7
133.10147	1.4
135.11688	1.0
143.08606	0.7
147.11664	0.5
191.17949	0.5
217.04691	3.8
258.07349	0.6
291.44791	0.5
304.57693	0.5
352.18549	0.6
378.12961	0.6
433.34113	0.6
509.86356	0.6
627.40161	21.9
628.40521	3.7
637.42273	0.5
668.42200	0.9
671.39154	100.0
672.39441	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	671.3913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.8
57.03413	0.5
60.46757	0.4
66.78875	0.4
67.05511	2.0
69.07069	0.8
71.34222	0.6
73.60388	0.4
79.05498	1.0
81.07058	1.5
91.05478	1.0
93.07061	0.9
95.08616	1.8
105.03409	0.6
105.07043	0.9
107.08598	1.2
109.10194	1.0
119.08572	0.7
121.10166	0.6
125.09642	0.7
127.84001	0.4
133.10191	0.9
145.10144	0.6
149.05939	0.9
201.55600	0.4
203.17892	0.5
217.04709	9.5
217.06754	0.6
224.96936	0.4
407.81638	0.5
461.24933	0.6
477.33585	1.2
627.40155	4.8
635.41223	3.9
636.42072	0.6
671.39105	100.0
672.39392	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	671.3908
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74553	0.3
52.80287	0.3
55.05509	0.6
57.07059	0.3
67.05499	1.9
69.07062	0.9
73.46852	0.3
77.17496	0.3
77.37968	0.3
79.05492	1.0
81.03400	0.6
81.07055	1.5
83.08627	0.3
91.05499	0.8
93.07040	1.3
95.08599	1.7
97.06537	0.4
100.30128	0.3
105.07034	1.5
107.08584	1.2
109.10192	1.1
111.77540	0.4
117.07085	0.7
119.08610	1.0
121.10156	1.2
123.11736	0.6
128.79445	0.3
131.04897	0.6
131.08522	0.5
133.10133	0.8
137.09645	0.6
145.06490	0.9
145.10143	2.1
147.11717	0.4
171.84222	0.4
173.09615	3.1
173.13379	0.3
189.09122	0.5
204.65817	0.3
205.12230	10.6
205.14072	0.6
217.04707	0.8
235.13400	0.3
279.23322	0.5
417.15237	0.6
435.17953	1.5
477.33459	1.1
489.22195	0.4
671.39154	100.0
672.39465	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	672.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.9
55.01862	1.4
57.03427	0.9
58.67867	0.6
65.03940	4.9
65.63485	0.6
67.05497	0.9
69.03434	4.4
69.07066	1.4
71.32005	0.6
79.05497	1.9
81.03412	1.9
81.07059	1.1
85.02901	12.4
87.04464	0.7
91.05482	10.5
93.03405	7.4
93.07037	1.4
94.04190	1.0
95.04958	2.1
97.02905	3.4
99.04411	0.8
103.05476	1.8
105.07032	9.0
107.04924	2.8
109.02856	1.9
109.06507	1.3
111.04446	13.3
119.04933	7.4
119.08562	1.6
121.06506	1.4
121.10144	1.4
121.34164	0.6
122.03637	1.7
123.04430	59.3
124.04769	1.8
125.05995	6.5
127.03916	2.7
128.06233	2.3
131.04927	1.7
131.08534	1.9
133.06494	9.2
135.08029	1.0
137.02361	11.2
137.05974	100.0
138.06306	3.2
139.03891	16.1
143.08563	11.7
145.04996	2.4
145.06496	2.3
145.10133	1.0
147.04401	1.2
149.05983	2.4
151.03918	9.4
151.07536	45.6
152.07849	1.1
153.01808	1.7
153.05472	11.1
159.08052	5.9
160.08791	0.6
161.05946	1.3
161.09618	2.1
162.07751	0.8
163.07610	4.1
165.09117	16.3
167.07047	1.6
171.08046	13.9
173.06036	1.0
174.06773	3.8
175.07553	2.2
177.05528	0.6
177.09100	4.2
180.08710	0.8
181.08604	2.5
188.08308	5.9
189.09105	31.3
190.09514	1.2
191.10684	4.1
193.08607	0.7
202.24907	0.5
203.10667	28.1
204.10938	1.6
207.06554	2.3
207.10165	16.6
208.10524	0.7
211.07719	0.6
221.11726	14.8
222.12108	1.1
229.05307	0.6
239.06972	0.8
270.08932	0.6
281.11758	1.2
313.14331	68.5
314.14694	5.3
331.15378	42.8
332.15775	3.7
351.70581	0.5
384.28793	0.7
475.19495	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.286
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71621	0.3
53.03937	0.7
55.01878	1.6
57.03425	1.1
59.73092	0.2
61.02926	1.8
66.80785	0.2
69.03426	4.1
69.09859	0.2
69.84619	0.8
69.85039	0.6
71.01349	0.3
71.04996	0.5
73.02905	0.7
76.95385	0.3
77.03940	0.3
78.49091	0.2
79.05499	1.4
81.03413	1.9
81.07054	0.6
85.02904	19.5
86.03195	0.3
87.04446	0.3
91.03953	0.8
91.05464	3.1
91.32593	0.2
93.07015	0.5
94.04180	0.3
95.04965	0.8
97.02889	5.9
98.23212	0.5
99.04425	0.7
103.05466	7.3
105.07037	4.2
107.04942	1.8
107.08566	0.3
109.02856	1.8
109.06507	1.0
109.10600	0.3
115.03897	0.4
115.05447	2.3
117.07012	1.3
119.04912	2.5
119.08569	0.6
121.06477	2.4
122.03635	0.6
123.04434	2.5
125.05953	0.4
127.03905	4.2
128.06218	3.4
131.04927	6.8
133.06483	4.0
133.10162	0.5
135.04402	0.4
135.08090	0.9
137.05972	18.2
138.06241	0.6
140.65613	0.2
141.06955	0.3
143.04895	1.0
143.08556	4.8
143.35484	0.3
145.04950	6.2
145.06459	2.1
147.04410	0.7
147.08032	1.0
148.05183	2.4
149.05983	6.7
151.03934	1.4
151.07536	9.1
152.07819	0.5
159.08072	0.4
160.05283	0.4
160.78775	0.3
161.05975	22.1
161.09605	3.4
162.06313	1.0
163.03876	0.4
163.06029	2.1
163.07520	12.9
164.08336	5.4
165.09113	8.1
167.07114	0.6
171.08052	4.4
172.08348	0.3
174.06732	1.0
175.07495	0.5
177.09113	1.1
179.07149	0.3
181.08649	0.3
181.10098	0.3
189.09099	20.3
190.09444	1.1
201.09105	0.3
203.10654	0.5
207.08130	0.9
207.10109	6.7
209.09743	0.3
211.07573	0.4
219.08075	0.3
223.30101	0.3
224.08290	0.7
225.09090	0.8
226.09653	0.4
235.07568	2.2
235.11171	0.9
239.10648	1.2
248.08377	0.4
252.07846	0.7
253.08565	0.9
254.09367	0.4
256.07312	0.3
262.09802	0.4
263.10562	0.8
265.08459	0.3
267.10159	2.9
267.13535	0.4
269.08060	0.8
272.10345	0.4
281.11731	0.3
284.10431	1.0
285.11191	8.8
286.11499	0.7
287.12827	0.4
288.43353	0.3
295.13358	0.9
313.10724	0.4
313.14291	5.5
313.17764	0.5
314.14706	0.5
331.15378	100.0
332.15704	8.0
397.16138	0.6
543.10278	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.5
53.03946	5.3
55.01871	4.1
55.05513	5.0
57.03427	3.0
57.07067	1.4
65.03938	1.9
67.05512	7.8
69.03441	8.8
69.07045	7.1
69.16154	10.0
69.16558	3.3
69.71772	1.4
71.04990	4.2
75.56010	1.4
79.05487	13.1
81.03414	8.4
81.07059	13.5
83.08620	2.0
85.02902	15.5
91.05476	30.4
93.07047	12.4
94.04163	2.0
95.04983	8.9
95.08613	12.2
97.02888	4.9
97.06523	3.0
97.10175	5.5
98.23360	3.1
99.60300	1.3
103.05466	35.6
103.06116	2.8
105.07027	39.6
107.04958	8.6
107.08597	8.5
109.02896	4.1
109.06512	6.5
109.10155	11.2
111.04487	1.9
111.08091	3.8
115.05444	3.5
117.07011	6.9
119.04954	17.8
119.08589	8.3
121.06517	3.7
121.10134	10.6
122.03654	4.7
123.04447	3.4
123.08052	2.7
123.11678	4.1
125.05989	1.6
125.09678	2.8
125.85017	1.5
127.03924	4.3
128.06161	1.8
129.07037	2.3
131.04924	22.7
131.08598	4.8
132.05653	1.9
133.06483	32.5
133.10141	4.9
135.04381	3.1
135.08081	4.0
135.11700	4.8
136.05231	3.8
137.05975	100.0
137.09616	2.9
138.06310	4.2
139.11176	2.1
141.06992	1.9
143.04913	2.7
143.08557	4.3
143.10735	1.8
145.05020	1.8
145.06509	10.3
145.10123	5.8
147.04437	5.2
147.08058	2.7
147.11687	5.4
148.05194	5.0
149.05968	6.1
149.09612	3.4
149.13266	1.8
151.03931	8.6
151.07538	90.4
151.11096	2.2
152.07913	2.8
153.05472	3.7
153.07004	1.4
154.08673	1.6
155.08545	3.4
157.06493	2.2
157.10152	3.3
159.08020	6.8
159.11705	3.7
161.05971	14.0
161.09619	3.0
161.13251	1.9
162.06575	2.0
163.03914	2.3
163.07542	37.0
163.11127	3.3
164.08308	5.2
165.09116	96.6
166.04967	1.7
166.09509	2.9
167.07053	3.9
169.06448	2.4
171.08040	5.2
171.11792	1.8
173.06075	2.0
173.09644	3.6
174.06772	1.8
175.07561	10.4
175.08878	1.3
176.08105	1.6
177.05574	2.2
177.09109	4.6
177.16362	1.8
179.10693	3.5
181.06482	2.1
181.08681	1.6
181.10185	3.5
181.12134	1.8
183.08011	3.5
185.13202	1.8
187.07510	8.3
187.11069	1.7
187.14944	2.3
188.08043	1.8
188.55008	1.4
189.09036	9.5
191.10661	1.6
195.08014	2.0
199.07542	8.4
199.11171	3.5
201.09126	13.5
203.10651	12.1
205.15813	2.5
209.09622	5.0
211.07623	1.6
212.08318	1.4
213.09128	1.6
217.12148	2.5
223.17043	2.1
225.09073	2.7
227.10677	13.7
233.09692	2.6
235.07442	2.2
235.10982	1.7
245.11731	3.8
247.07481	1.6
251.07022	3.5
252.07710	1.9
253.08672	1.9
255.10295	1.5
261.09140	2.8
265.08557	2.0
267.10217	3.5
267.15787	2.5
273.09210	1.9
273.12332	1.6
275.10736	1.7
279.10117	3.1
280.10736	1.9
281.11722	1.7
282.08902	2.0
283.09720	5.6
285.07657	5.8
285.11316	4.0
291.10312	1.7
293.11789	3.4
296.10446	2.0
297.11102	1.7
299.09091	4.7
299.12723	2.0
301.21579	1.8
303.10321	1.6
304.11041	1.7
305.11823	3.2
307.09692	3.1
307.12973	2.3
308.10361	2.0
309.11121	2.9
310.11960	4.0
311.12640	9.8
313.14322	9.4
318.12613	1.9
319.13242	1.9
319.22546	2.3
322.12030	3.8
323.12741	6.3
325.10950	2.2
325.14374	15.6
329.13751	2.1
333.14774	4.3
336.13467	2.0
339.15817	2.1
351.15872	36.7
352.16162	2.1
355.15570	2.0
369.16937	34.9
370.17346	2.4
418.13904	2.2
429.80771	1.6
446.17325	2.0
447.18097	8.5
449.19516	7.0
457.20044	3.1
463.21191	2.3
463.26813	2.8
475.21112	40.1
476.21762	3.7
481.27942	2.8
493.22189	78.8
494.22653	10.1
640.22327	5.0
671.39709	7.3
672.24774	5.0
672.38422	20.0
673.24030	15.4
673.38062	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	672.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.3
55.01874	1.3
55.05514	2.1
57.03439	2.8
61.02932	4.2
63.65469	0.4
67.05511	1.3
69.03432	11.7
69.07059	1.0
69.16135	3.3
71.01376	0.4
71.04996	1.5
73.02923	1.5
74.81621	0.3
79.05486	1.4
81.03422	4.7
81.07056	2.2
82.70755	0.3
83.01372	0.4
83.04998	0.4
83.08624	1.5
85.02908	50.0
86.03238	0.8
87.04475	0.7
91.03940	2.0
91.05494	1.6
93.07050	2.8
95.04975	1.1
95.08630	1.9
97.02898	14.7
98.03264	0.5
99.04481	2.5
103.03915	0.7
103.05466	0.7
105.07047	2.2
106.07346	0.7
107.04963	0.4
107.08583	2.4
109.02877	4.8
109.10154	1.8
111.04425	0.5
113.69611	0.4
115.03906	0.6
119.08572	1.5
121.02879	1.0
121.06516	0.5
121.10168	1.6
123.04450	1.2
123.08114	0.6
125.05988	0.4
127.03924	11.9
128.06201	0.4
129.13197	0.4
131.04953	0.4
131.08588	0.6
133.10156	1.9
134.10469	0.4
135.11661	0.5
137.05986	2.5
139.05446	0.6
139.11183	0.4
140.06248	0.5
143.08588	0.4
145.04964	16.6
145.10088	1.2
146.05247	0.5
147.04422	1.1
147.11667	1.1
149.09682	0.4
149.13214	0.6
151.03931	2.3
151.07503	0.7
152.04198	0.5
152.06204	1.4
153.01822	1.1
153.07031	2.2
154.08644	0.4
155.08575	1.1
159.08156	0.4
159.11708	0.6
161.05951	0.6
161.09631	0.9
161.13182	0.6
162.07603	0.4
163.03929	0.7
163.06032	5.8
163.07407	0.5
163.11172	0.7
165.05521	0.8
165.06961	0.7
165.09137	1.0
167.07108	1.9
167.08414	0.5
168.05675	3.8
169.10075	0.4
171.08104	0.6
171.11732	0.4
173.09563	0.5
175.14745	0.4
177.05542	0.5
177.16347	0.6
179.07048	0.5
179.08546	0.5
179.10674	0.5
181.05008	0.7
181.06497	1.9
182.07219	1.0
183.08063	44.2
184.08385	1.8
187.14935	0.4
189.16325	0.5
195.08052	0.9
196.05209	1.6
196.08804	0.8
197.06010	0.9
197.09541	2.1
198.06747	1.1
199.07590	0.7
201.09268	0.4
201.16441	0.5
207.10300	0.4
207.17525	0.4
210.06668	2.0
211.07542	91.5
212.07925	6.4
213.09116	4.9
213.12668	0.5
224.08350	1.2
225.09102	5.3
228.07874	2.5
231.10156	1.3
237.09105	0.9
239.10715	4.3
242.09459	0.6
243.10175	68.0
244.10509	4.5
253.15872	1.1
257.11716	2.6
266.13171	0.5
267.10187	0.9
277.08765	0.5
281.12198	0.8
281.15359	15.3
282.15820	1.3
298.15771	1.9
299.99252	0.4
303.04922	2.2
304.05310	1.6
310.30072	0.5
313.17978	100.0
314.14914	0.4
314.18326	8.8
323.16406	0.7
331.18927	0.9
337.17957	1.3
361.17767	0.5
399.25262	0.5
421.20181	0.5
468.23764	0.4
475.30432	1.5
672.26001	1.8
672.36932	1.8
673.34247	1.5
694.94263	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
55.01877	1.7
55.05508	1.2
56.55971	0.3
57.03447	3.0
61.02930	3.4
67.05494	1.3
69.03427	9.9
69.07071	0.8
71.04993	1.8
71.32568	0.5
73.02918	1.3
79.05509	1.3
81.03416	5.2
81.07063	1.9
83.04990	0.5
83.08614	1.0
83.18039	0.3
85.02904	46.2
86.03259	0.4
87.04467	0.9
91.03952	2.2
91.05477	1.3
93.07041	2.4
94.07367	0.3
95.04970	1.3
95.08598	1.4
97.02893	12.4
97.06527	0.6
97.10151	0.4
99.04455	2.2
101.02390	0.4
103.03946	0.8
103.05502	0.6
105.07041	2.1
105.88704	0.3
107.08582	1.8
109.02881	4.8
109.06554	0.4
109.10159	1.1
111.08073	0.5
114.64433	0.3
115.03930	0.4
117.07024	0.6
119.08591	1.4
121.02859	0.9
121.06509	0.7
121.10102	1.9
123.04430	1.0
123.08116	0.5
123.11713	0.5
125.05956	0.4
125.09552	0.4
127.03904	10.6
131.04901	0.5
131.08563	0.7
133.06520	0.5
133.10135	1.8
134.10472	0.4
135.11697	0.6
137.05991	1.7
137.09595	0.6
139.05432	0.5
140.06219	0.4
145.04959	15.4
145.10133	1.0
146.05330	0.4
147.04453	0.7
147.11679	0.8
149.06001	0.6
149.09619	0.6
149.13303	0.6
151.03906	1.5
151.07576	0.6
152.04305	0.3
152.06200	1.2
153.01843	0.5
153.06972	1.7
155.08548	1.1
157.10120	0.7
157.55966	0.3
159.11644	0.7
161.05942	0.4
161.09604	0.9
161.13232	0.8
162.09981	0.3
163.03964	0.4
163.06035	5.4
163.07391	0.5
163.11215	0.9
165.05563	0.6
165.07036	1.0
165.09116	0.8
167.07050	1.7
168.05692	3.3
171.08076	0.5
173.09703	0.5
175.14818	0.3
177.05467	0.4
179.08537	0.9
179.10675	0.7
180.10951	0.4
181.05017	0.6
181.06502	2.3
182.07265	0.8
183.08054	37.3
183.28584	0.3
184.08374	1.7
185.70647	0.4
187.14851	0.4
189.09070	0.3
189.16457	0.7
195.08067	0.3
195.10204	0.4
196.05150	1.6
196.08813	0.7
197.06006	0.8
197.09656	1.5
198.06741	1.3
199.07498	0.9
200.08360	0.4
201.09050	0.3
203.10614	0.3
207.08292	0.4
210.06779	1.2
211.07533	82.0
212.07950	5.3
213.09100	4.9
215.10631	0.4
224.08292	0.7
225.09140	5.0
226.09628	0.3
227.06993	0.4
228.07826	3.0
231.10133	1.4
237.09131	0.6
238.09662	0.4
239.10645	3.6
240.11008	0.5
241.08835	0.4
242.09299	0.6
243.10155	64.3
244.10503	3.6
253.12010	0.4
253.15871	1.2
255.10190	0.6
257.11700	1.7
266.13095	0.4
267.10168	1.4
281.12192	0.8
281.15350	13.1
282.15897	1.3
298.15561	1.4
303.05048	2.2
304.05341	1.1
310.15607	0.4
313.17963	100.0
314.18283	7.4
317.21219	0.4
323.16568	0.5
325.10916	0.4
331.18936	1.0
337.17914	1.3
355.19107	0.4
361.17590	0.5
371.85471	0.4
375.96927	0.4
439.21262	0.3
475.29849	1.7
493.82034	0.4
672.25867	2.1
672.37500	1.9
673.36194	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.1
55.01871	1.2
55.05506	9.8
57.03439	10.9
61.02921	4.5
65.03943	2.4
67.05505	40.8
69.03429	2.7
69.07066	10.7
69.40258	3.6
69.40666	3.5
71.04974	2.3
79.05496	19.9
79.28616	1.1
80.05825	1.0
81.03418	2.4
81.07056	28.1
83.04977	2.1
83.08618	4.1
85.02887	2.8
85.06541	2.9
91.05477	16.5
93.07040	23.5
93.07599	1.7
94.04192	1.3
94.07377	1.5
95.04960	4.6
95.08606	100.0
96.08933	2.0
97.02906	1.9
97.06530	4.0
97.10184	1.6
99.08115	1.2
103.03961	1.1
105.07027	13.2
107.04946	3.4
107.08587	12.1
109.10143	9.9
111.04443	1.2
111.08084	2.4
115.05484	3.7
116.06185	1.4
117.07018	5.5
119.04939	1.5
119.08588	8.3
121.06515	9.3
121.10155	10.1
122.03671	1.8
123.08078	4.7
123.11715	3.8
125.09696	1.8
128.06241	4.1
129.07019	4.8
130.07823	2.0
131.04948	2.4
131.08557	12.5
133.06499	14.4
133.10138	6.9
135.08046	1.7
135.11765	5.8
137.05978	38.9
137.09564	1.8
141.06992	4.5
141.09131	4.8
142.07761	2.2
143.08556	9.9
145.06491	4.9
145.10129	11.2
146.07259	2.2
147.08067	5.6
147.11699	4.0
148.08862	1.3
149.13257	3.2
151.03976	1.2
151.07518	3.0
153.05453	2.6
157.06537	1.9
158.07301	10.7
159.08084	16.5
159.10190	10.6
159.11716	4.2
160.08810	5.0
161.05978	2.5
161.09592	3.1
161.13292	3.0
163.11327	1.5
163.14798	2.1
165.09116	1.6
169.06476	2.7
171.08067	4.6
173.09610	26.5
173.13286	1.8
174.06821	2.1
175.07585	2.1
175.11168	9.0
175.14912	1.3
177.05522	1.8
185.06018	1.2
187.07527	22.5
187.11131	2.7
187.14810	1.8
188.08205	2.5
188.11978	7.0
189.09094	21.9
189.12738	4.7
190.09642	1.2
191.10664	13.6
193.08592	1.2
201.09108	27.8
201.12798	1.6
201.16454	2.0
202.09561	1.6
203.10670	41.6
204.07895	2.8
204.11449	16.5
205.12213	14.1
211.07507	2.6
213.11270	3.5
215.12755	55.9
216.13200	2.3
219.10162	94.7
220.08704	1.4
220.10600	3.7
221.06036	1.4
225.09056	2.2
235.11143	3.7
237.86284	1.1
239.07092	4.5
240.07874	2.3
243.21111	3.9
248.08281	1.7
252.11462	2.1
253.08562	1.5
255.10008	1.3
257.08139	4.6
259.20810	1.4
261.22125	12.7
263.10703	5.4
267.13647	1.4
268.07281	1.8
271.09689	3.7
283.09720	6.5
284.10117	1.7
293.11673	1.8
295.10181	2.0
295.13293	10.9
307.13318	2.1
308.13998	3.1
309.11270	1.7
309.14908	2.0
311.16364	1.5
317.24728	1.5
324.13730	1.6
325.18170	1.5
327.15939	16.1
335.25806	38.8
336.26138	2.4
339.15918	52.7
339.19574	5.7
340.16422	2.8
362.54507	1.1
367.19083	1.7
393.20804	2.4
407.22141	63.7
408.22675	4.9
475.34274	18.6
531.27417	30.5
532.27679	6.5
637.42859	1.5
671.39056	1.5
672.39514	42.4
673.40350	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	672.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.8
53.03949	3.4
55.01876	1.8
55.05512	11.6
57.03443	6.3
57.07065	1.1
59.04980	0.7
61.02920	1.1
65.03934	2.4
65.58216	0.8
67.05504	36.8
68.05830	1.1
69.03431	1.7
69.07070	11.4
71.04990	2.9
71.31944	0.8
73.02932	0.9
79.05494	41.3
81.03423	4.2
81.07058	41.8
82.07372	1.1
83.04980	6.9
83.08625	7.9
85.02922	1.4
85.06541	3.1
91.05481	29.5
93.07044	45.2
94.07359	1.2
95.04967	8.7
95.08599	16.2
97.02902	0.8
97.06532	6.1
97.10155	2.3
99.08102	1.5
100.43295	0.7
102.28220	0.8
103.05460	1.1
105.04539	1.3
105.07029	18.5
106.07352	0.9
107.04954	2.9
107.08594	16.0
109.06503	3.3
109.10151	3.8
111.08084	2.6
113.06026	0.8
114.65155	0.7
115.05486	0.8
117.07013	6.6
119.04973	1.0
119.08578	10.2
121.06496	1.5
121.10160	9.6
123.08105	3.3
125.09654	1.1
128.06224	0.9
129.07028	6.8
131.08578	4.4
133.10130	6.1
135.04414	1.0
135.08104	1.1
135.11688	5.2
137.05991	3.0
137.09595	1.4
143.08559	4.2
145.06483	1.0
145.10120	5.0
147.08049	1.9
147.11691	13.9
148.12036	1.0
149.13249	11.0
151.03915	2.8
151.07561	2.1
157.10161	1.2
159.08162	0.9
159.11638	5.3
161.06068	1.4
161.09657	2.3
161.13266	3.5
163.07465	0.9
163.11151	1.2
165.09084	1.5
171.11682	8.4
173.09616	0.7
177.12762	2.2
181.32100	0.7
189.09245	0.9
189.12730	2.4
195.13850	3.2
203.10635	1.3
207.13795	10.7
219.10100	1.4
221.11821	1.7
225.14938	0.7
267.15970	1.3
269.17493	28.4
270.17764	1.9
281.17471	27.0
282.17929	0.7
283.15295	0.8
457.29544	1.0
462.54446	0.9
475.30576	100.0
476.30927	12.7
648.91766	0.7
672.36072	2.6
673.37335	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	672.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40071	1.0
52.49541	0.9
53.03950	4.8
54.01876	0.9
55.01870	1.3
55.05510	10.5
57.03432	5.6
61.02928	1.3
65.03927	1.4
67.05503	34.4
67.75409	1.1
69.03419	2.5
69.07069	10.1
70.58212	1.9
70.58545	2.1
71.02919	0.9
71.04990	2.5
73.06535	1.3
77.03934	1.3
79.05492	35.1
80.05851	1.2
81.03424	4.2
81.07059	36.8
83.04530	0.9
83.04970	5.7
83.08619	9.1
85.02935	1.3
85.06539	2.6
91.05481	27.8
92.05809	1.2
93.07045	37.7
94.07405	1.6
95.04974	10.4
95.08611	12.8
96.05300	1.0
97.06538	5.0
97.10176	2.5
99.08083	1.6
99.52097	0.9
103.05455	1.2
105.04502	1.0
105.07027	18.2
107.04977	2.9
107.08597	17.2
109.06503	3.6
109.10154	3.3
111.08079	2.8
117.07027	6.5
118.31811	1.1
119.04909	1.0
119.08575	12.2
121.06551	2.1
121.10149	9.1
123.04351	1.2
123.08070	4.4
123.11739	1.2
129.07014	7.3
131.04910	1.4
131.08545	5.1
133.10112	7.5
135.08028	1.5
135.11714	3.7
137.06012	4.3
137.09648	1.0
143.08571	3.2
145.10104	5.0
147.04375	1.8
147.08069	2.1
147.11679	12.9
149.13248	8.8
151.03912	3.0
151.07535	1.9
152.04312	1.1
159.11705	4.5
161.09610	1.8
161.13284	4.4
165.09103	1.1
171.11655	9.4
173.09563	2.0
173.13359	1.4
177.12735	1.6
187.07664	1.2
189.12778	3.3
195.13817	3.6
201.09122	1.5
203.10638	1.8
205.12259	1.2
207.13803	10.8
208.14198	1.3
225.14806	1.7
262.41571	1.0
269.17490	26.9
279.10297	1.4
281.17484	24.9
282.17758	2.3
475.30542	100.0
476.30844	13.7
672.35413	3.8
673.36719	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	672.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87469	0.5
53.03949	0.6
54.72006	0.5
55.05507	4.3
55.80051	0.5
57.03436	4.5
57.07073	36.9
58.07396	0.8
61.02924	12.3
67.05145	0.8
67.05497	11.0
69.03410	1.9
69.07066	7.6
69.14276	5.1
71.04993	1.1
71.08627	30.8
73.02908	4.5
75.04470	2.3
77.39706	0.5
79.05483	2.3
81.03419	0.7
81.07051	14.8
83.04943	0.7
83.08115	0.6
83.08616	12.3
85.02903	14.9
85.06541	0.8
85.10177	18.5
86.09702	4.5
87.10052	0.6
89.06034	1.1
91.03955	11.2
91.05461	1.4
93.07034	1.5
95.08602	25.8
96.92233	1.1
97.02897	6.9
97.10166	6.0
99.08099	0.6
99.11687	1.3
100.63029	0.5
103.07582	1.0
107.08602	1.3
109.10146	12.5
111.11692	1.4
115.03928	0.7
119.08549	1.2
120.08081	2.1
121.10115	1.3
123.08092	0.9
123.11690	6.0
125.09533	0.6
125.13258	1.2
127.03906	4.8
131.08575	0.5
133.10162	0.6
135.08096	0.6
135.11658	1.2
137.05919	0.7
137.13260	2.1
139.11136	0.6
139.14664	0.7
145.04970	6.4
145.10118	0.7
151.14862	0.9
159.11623	0.5
163.06030	8.7
163.07292	1.1
165.16310	0.6
198.68748	0.6
199.18092	0.7
215.10770	0.5
219.02527	1.4
221.22604	0.9
239.23672	25.5
240.23970	1.9
257.24704	5.1
261.15982	0.6
280.71353	0.5
298.27625	0.7
313.27344	100.0
314.27664	8.6
331.28406	25.6
332.28824	2.2
475.32428	1.7
534.36029	0.6
559.36493	0.7
561.79987	0.5
589.48969	0.6
655.36353	0.9
672.35748	9.5
673.36774	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	672.416
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89141	0.5
55.05513	5.1
57.03443	3.8
57.07076	38.0
57.11335	0.5
58.07391	0.6
61.02925	13.9
67.05166	0.8
67.05502	13.0
69.03409	1.8
69.07069	8.0
69.62220	1.0
69.62617	2.2
71.04981	0.9
71.08631	33.2
72.08970	0.7
73.02914	4.2
75.04478	2.2
79.05522	2.7
81.03431	0.8
81.07054	17.5
83.08620	12.4
85.02402	1.0
85.02901	16.5
85.10180	19.1
91.03951	13.9
91.05473	1.6
92.59689	0.4
93.07047	1.6
95.04945	1.0
95.08604	24.1
95.09222	1.2
96.08932	0.5
97.02888	7.9
97.10173	6.3
99.04443	1.0
99.11717	1.3
103.07591	0.7
105.07043	1.7
107.08581	1.2
109.02924	0.6
109.10155	12.6
111.11734	1.5
113.13282	0.6
119.08559	1.4
121.10146	1.0
123.08044	1.2
123.11713	5.5
123.49451	0.5
125.13348	0.8
127.03926	5.7
129.06989	0.6
131.08516	0.8
135.11624	1.2
137.05983	2.1
137.13237	2.7
139.11212	0.5
143.08569	0.7
145.04959	8.2
147.08043	0.7
151.03925	1.1
151.07547	1.3
151.14795	0.6
155.19406	0.6
161.05988	0.9
161.13208	0.6
163.06024	12.5
163.07430	0.7
164.06419	0.6
165.09081	0.8
189.09122	1.5
203.10646	1.2
221.11679	0.7
221.22729	0.6
239.23695	23.9
240.24040	2.0
257.24753	4.3
279.23074	0.6
311.12790	0.6
313.27347	100.0
314.27713	8.8
331.28406	32.7
332.29010	2.9
417.84476	0.5
465.57928	0.6
593.04932	0.5
657.86926	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.2
55.05508	7.9
55.77095	0.6
57.05812	1.2
62.01217	0.7
67.05497	0.8
70.06586	46.0
71.04992	1.3
71.33753	0.9
72.08148	100.0
73.08501	1.6
73.97048	0.6
75.27032	0.8
79.05504	1.2
84.08124	0.9
86.09699	53.1
87.09265	0.8
87.10044	1.0
88.07627	0.9
91.05484	1.4
93.07027	0.7
95.04922	1.0
97.07649	4.9
97.21264	0.6
98.06065	0.7
103.05486	2.8
105.07052	1.9
112.08781	0.7
115.08685	63.9
120.08096	60.9
121.08446	1.4
124.11242	1.0
125.56300	0.7
126.12770	4.2
127.08648	1.1
130.38972	0.8
131.04918	0.8
135.04404	34.2
137.05984	2.9
137.07031	0.7
140.14331	3.5
143.08330	0.8
153.05429	7.1
165.10266	2.3
166.13470	0.7
167.11847	0.7
167.15343	0.8
168.14954	1.4
169.13356	5.2
171.14915	23.5
171.16389	1.2
172.11336	0.7
172.15341	0.7
174.12825	4.2
179.11821	2.5
179.29626	0.7
181.05008	0.8
183.14899	1.8
185.16484	31.3
186.15991	0.7
196.14421	7.8
197.12865	1.3
199.12514	1.3
199.14398	26.0
200.14761	1.3
205.04745	4.7
206.05089	2.2
207.55551	0.7
213.15956	21.2
213.17810	1.3
214.15605	2.6
217.13351	9.1
219.14906	9.6
224.13910	1.7
225.19713	0.8
239.21237	2.2
242.15184	1.6
245.12816	1.5
247.14380	8.0
262.15479	19.5
267.20642	3.3
272.14069	0.8
273.19836	1.0
287.21036	0.8
291.29428	0.7
301.19135	1.2
312.22781	16.6
313.22800	1.4
315.21130	1.4
316.20026	0.9
333.22958	1.5
341.22003	1.1
343.21362	2.6
346.21423	2.9
360.22684	3.5
361.22327	6.9
366.27640	0.8
383.30084	7.0
384.30710	0.8
411.29611	9.6
431.30487	2.5
442.28287	1.2
445.28149	1.3
459.29797	5.9
460.29062	3.4
474.30701	5.9
475.31024	0.8
513.34131	1.4
525.37372	1.7
530.37073	2.3
553.37061	1.7
558.36542	6.4
559.36621	1.4
560.65668	0.8
573.37579	7.2
574.37543	1.4
644.45135	2.3
654.43225	13.8
654.54382	1.2
655.42798	3.5
672.26410	20.0
672.44330	61.1
673.26086	3.4
673.44946	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	672.5039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.4
55.05507	15.3
57.07071	17.9
67.05502	18.9
69.00768	27.6
69.03423	8.3
69.07053	14.4
71.04990	28.7
71.08639	6.0
71.98164	2.8
73.06545	5.1
79.05485	16.3
81.03426	8.7
81.07054	38.4
83.04963	4.5
83.08614	11.9
85.02898	4.8
85.10183	6.4
89.06030	6.0
91.05476	13.5
93.07040	33.0
95.08603	53.2
97.02881	5.9
97.06540	4.8
97.10184	4.2
99.08119	7.8
105.07018	43.4
107.08596	34.7
109.06478	5.5
109.10148	22.7
117.06992	3.9
119.08599	14.8
121.10134	21.1
123.08067	3.8
123.11710	11.5
125.09644	24.0
127.03922	8.2
127.07530	5.3
127.11190	3.4
131.08557	7.9
133.10121	59.9
135.11671	4.6
143.10692	30.7
145.10104	11.7
147.11693	18.9
149.13269	33.1
151.11226	3.3
159.11659	7.9
161.13268	7.3
167.14322	100.0
168.14693	3.1
201.16409	13.4
219.17436	34.1
220.17741	3.3
239.23727	5.1
240.38242	2.5
319.69962	2.7
383.27798	3.9
401.28891	13.7
412.97269	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	673.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.8
53.03936	5.3
55.01868	5.2
55.05515	12.9
55.05743	2.1
57.03441	3.6
65.03946	2.9
67.05505	16.9
68.95569	1.7
69.03429	19.9
69.07076	18.1
69.82104	9.1
69.82455	3.4
71.05003	7.1
73.36917	1.7
77.03938	2.4
79.05489	25.6
81.03425	23.8
81.07060	34.9
83.04983	18.8
83.08619	6.9
85.02911	15.0
85.06545	7.2
90.16111	1.7
91.05479	30.4
91.06008	3.5
93.07053	25.4
94.07388	2.8
95.04969	12.6
95.08606	19.8
96.08961	3.6
97.02896	7.6
97.06541	19.0
97.10195	7.1
99.04464	8.0
99.08074	3.5
103.05473	16.2
105.07026	41.8
106.07359	3.6
107.04970	11.7
107.08599	19.7
108.08910	2.6
109.02899	9.1
109.06513	10.2
109.10180	15.3
111.04459	4.5
111.08117	3.5
113.06060	1.7
113.09621	2.0
115.05456	21.7
117.07023	8.4
119.04955	12.4
119.08577	18.1
120.08954	2.3
121.06516	9.7
121.10143	17.9
122.03667	5.0
123.04434	7.3
123.08089	5.0
123.11710	5.9
125.05992	27.0
125.09603	2.6
127.03945	5.6
128.06258	4.7
129.06998	4.1
131.04912	16.2
131.08580	8.5
133.06477	19.6
133.10149	12.8
134.10443	3.8
135.04440	5.7
135.08051	5.4
135.11707	9.6
136.05244	2.0
137.05974	100.0
137.09604	4.2
137.13261	3.3
138.06317	4.2
139.11192	2.3
141.06947	3.9
143.04924	4.7
143.07005	11.8
143.08591	2.9
145.05013	3.6
145.06485	6.5
145.10136	11.7
147.04427	4.9
147.08017	1.8
147.11693	8.7
149.05986	13.7
149.09630	4.7
149.13298	4.8
151.03909	34.1
151.04990	2.4
151.07539	62.7
152.07968	2.8
153.01843	4.5
153.05527	3.6
153.06958	4.8
155.08597	4.2
157.06502	6.6
157.10152	5.4
159.04419	3.5
159.08047	4.5
159.11726	4.0
161.05980	68.3
161.09648	4.7
161.13287	3.0
162.06390	2.8
163.03891	7.3
163.07524	28.1
163.11194	8.1
163.14804	3.4
164.08318	9.4
165.05489	2.5
165.07010	2.9
165.09123	28.4
166.09453	3.0
167.07059	7.7
167.08463	4.4
167.10721	2.5
169.06459	3.6
169.08620	8.5
171.08066	4.5
171.11723	2.4
172.87001	1.8
173.05954	9.3
173.09622	3.7
173.13304	3.5
175.07597	11.9
175.11162	5.1
177.05481	5.4
177.09166	3.0
179.07146	3.0
179.08531	9.2
179.10764	4.0
181.04933	3.1
181.06491	6.7
181.08499	2.5
181.10049	4.4
183.08109	6.8
183.10167	11.5
183.11630	2.7
185.06001	8.0
185.09622	3.7
187.07516	11.4
189.09091	5.8
189.16339	2.1
191.07062	5.4
191.10664	4.4
191.17960	3.7
192.18335	4.3
193.08514	2.8
193.10132	2.6
193.12230	4.1
195.08058	5.6
196.08751	3.9
197.05998	3.9
197.09631	4.2
199.07513	20.3
201.05399	2.7
201.09206	9.3
201.16388	4.1
203.07037	6.0
203.10745	4.6
203.17917	2.5
205.08492	2.8
205.12137	2.7
207.08122	8.5
209.09633	4.9
209.11633	4.0
211.07629	14.7
211.13338	2.8
212.08231	4.3
213.09123	17.2
213.16443	2.3
215.07033	5.5
215.10646	2.9
217.08531	4.5
217.19377	2.1
221.09631	5.3
223.07732	2.5
223.11136	2.9
224.08264	6.9
225.09145	14.8
225.10999	3.1
227.07091	4.9
227.10655	12.3
227.12749	4.7
229.08635	5.3
229.12137	2.4
231.10081	3.8
233.09763	3.8
235.07559	18.9
235.11284	3.0
236.08293	3.5
237.09131	6.9
239.10555	10.2
241.08572	3.5
241.12250	3.2
243.10252	4.1
249.09227	5.2
251.06964	2.7
251.10703	8.2
252.07831	5.1
253.08565	6.8
253.12175	6.6
255.10126	5.4
257.11801	3.6
261.09134	4.0
263.10748	5.4
265.08698	2.6
265.12253	5.5
267.10193	21.9
269.08029	2.9
269.11777	2.6
275.10809	3.0
277.08621	3.9
279.10068	2.8
281.11673	5.5
283.09839	4.6
285.07950	3.5
285.11200	75.3
286.11606	6.4
287.10461	3.3
289.12180	2.6
291.10190	5.4
291.13586	2.5
295.09750	3.7
295.13156	2.3
297.11218	4.9
299.09293	4.3
299.12833	2.6
303.05026	6.5
303.10223	3.1
304.10828	3.5
305.11584	6.6
305.15137	2.8
307.09622	3.9
307.13126	3.6
309.11221	19.9
309.14474	3.2
311.12775	8.3
315.10175	3.2
316.10843	2.7
317.11588	2.9
318.12314	2.9
319.09775	3.9
319.13324	8.6
321.11292	5.5
323.12796	20.1
323.16318	4.5
325.11151	2.6
325.18069	3.1
329.13858	6.2
331.13181	3.5
333.11298	3.9
333.14874	5.7
335.12830	6.6
337.10513	4.4
337.14313	30.5
347.12619	3.2
349.14432	4.5
351.12350	3.6
351.15942	18.0
357.14868	3.8
361.14432	3.3
365.13928	3.2
369.17126	18.1
369.31281	2.9
370.31702	3.0
371.32260	2.7
375.11880	2.9
375.16010	9.5
377.13419	4.7
377.17603	7.3
379.15515	6.3
389.17261	2.7
393.17105	6.1
397.16537	7.6
411.19022	2.3
411.35187	3.4
415.19135	5.3
417.16934	3.0
419.18588	2.2
421.16708	2.7
429.20544	4.6
433.20068	10.0
435.17953	7.4
447.21646	6.5
449.23471	4.1
451.21588	2.9
453.19287	3.4
457.20200	8.5
457.35770	3.6
458.35956	2.6
459.27319	6.1
465.23026	3.1
475.21201	34.6
476.21753	4.7
477.28415	4.6
493.22174	63.3
493.29099	3.3
494.22543	6.8
499.21295	2.5
511.23233	47.1
512.23486	7.6
517.22449	6.0
535.23407	4.9
601.23938	3.7
619.25092	5.0
637.26062	4.1
673.37939	29.3
674.37054	4.2
676.15991	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	673.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01059	0.5
55.05519	0.6
67.05507	1.4
68.24703	0.5
69.07066	0.7
79.05488	1.0
81.07061	1.3
83.82899	0.5
91.05517	0.9
93.07069	1.1
95.08668	1.0
95.89776	0.5
98.23402	1.0
105.07025	0.8
107.08583	1.0
109.10158	0.5
111.91665	0.5
119.08536	0.6
119.99167	0.5
121.10149	0.6
133.10120	0.5
135.11708	0.6
147.11673	0.6
149.13332	0.7
157.10172	0.8
173.20026	0.5
180.79408	0.5
185.04156	0.5
189.11130	0.5
206.63690	0.6
228.23039	0.4
228.96944	0.5
245.36227	0.6
347.09595	1.0
511.28693	18.1
512.29266	2.0
535.17419	0.5
656.35876	0.5
673.33984	100.0
674.34363	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	673.3397
Annotation	(-)-Flexicorine
Peak:m/z	Relative Intensity
51.05030	0.2
55.05503	0.2
56.66175	0.2
61.96047	0.2
67.05516	0.3
81.07051	0.6
84.34839	0.2
89.59320	0.2
91.05461	0.3
91.24148	0.2
93.07030	0.3
95.08624	0.4
98.22542	0.5
107.08634	0.3
109.10173	0.2
119.08590	0.2
121.10146	0.2
185.04257	0.7
203.05231	2.0
245.06546	0.2
259.07776	1.0
262.65002	0.2
275.07446	0.2
305.08267	0.4
309.44278	0.2
347.09476	1.3
365.10498	3.9
421.13150	1.5
472.46927	0.2
511.28741	18.1
512.29083	1.9
673.33978	100.0
674.34369	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	674.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43076	0.3
53.03952	0.5
54.03466	1.0
55.01864	0.4
55.04252	0.7
65.03934	0.6
68.99779	0.8
69.03449	0.4
70.06590	100.0
71.06924	1.3
71.32167	0.4
79.05505	0.9
81.03429	0.6
81.07062	0.4
89.03895	0.7
91.05484	0.7
93.03391	0.3
95.04974	1.1
103.05460	0.7
103.72485	0.3
107.04959	2.0
109.02855	0.4
109.06516	0.8
111.04410	0.6
113.75041	0.3
114.13777	0.3
115.00374	0.4
117.03411	0.5
119.04954	1.2
121.02924	0.3
123.04428	8.1
127.03966	0.3
131.04871	0.4
133.02838	0.4
133.06468	0.4
135.04408	22.1
136.04762	0.7
137.02390	0.5
137.05974	5.4
139.03896	5.3
147.04399	1.7
149.06018	0.6
151.03859	1.9
153.05501	1.5
159.04443	1.1
161.05919	1.4
163.03897	24.8
164.04387	0.7
165.05475	15.5
169.06485	0.3
173.05975	0.5
175.03900	0.8
177.05508	2.5
179.03375	0.5
185.05943	0.5
187.03900	4.2
187.07556	0.4
189.05521	0.9
191.03455	0.6
201.05518	1.1
203.03424	0.3
205.05028	1.6
211.07542	0.5
213.05516	0.7
215.06989	1.0
217.04979	0.6
227.07141	0.7
229.04959	2.2
237.05383	0.3
239.07076	0.8
241.04857	0.8
243.06570	1.0
251.07123	0.5
253.08711	0.5
255.06479	0.5
259.06027	1.0
267.06552	1.1
269.08081	0.7
271.05984	4.5
273.07480	0.4
281.08157	0.5
283.05984	1.6
285.07562	8.6
286.07742	0.5
289.06915	0.4
295.05939	1.7
296.06454	0.4
297.07370	1.5
299.09122	0.7
301.07022	2.7
309.07614	1.1
313.07092	4.3
315.08713	1.3
325.07092	3.6
327.08600	4.0
342.41483	0.4
384.14401	3.2
411.10754	1.1
422.47784	0.4
435.10886	1.0
447.10822	2.6
453.11856	1.4
462.38931	0.3
465.11844	3.4
466.12411	0.5
590.55060	0.3
605.16589	1.0
617.16400	5.5
618.16693	1.0
619.26324	0.3
628.18359	0.3
633.21027	0.4
674.22229	22.2
675.22778	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	674.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	4.5
55.05254	1.0
55.05510	12.1
57.03436	9.1
57.07073	1.5
59.04996	1.7
61.02929	3.3
65.03944	1.1
67.05504	29.3
69.03431	1.2
69.07067	10.4
69.13435	2.3
69.13856	3.2
71.01349	0.8
71.04995	2.7
73.02913	1.3
79.05493	23.5
81.03413	7.1
81.07055	41.3
82.07399	0.9
83.01337	4.3
83.04978	9.4
83.08615	10.9
85.02896	4.6
85.06544	2.4
91.03925	0.9
91.05474	13.4
91.10536	0.6
93.07042	31.1
94.07371	1.6
95.04964	4.4
95.08610	12.3
97.02894	3.1
97.06535	7.6
97.10152	1.4
98.22633	1.5
99.04453	2.3
99.08088	1.6
103.05541	0.7
105.07034	6.6
107.04948	4.6
107.08588	20.7
109.06503	5.4
109.10153	2.7
111.04467	1.5
111.08085	4.2
111.11731	0.7
117.07013	7.7
119.08580	6.1
121.06487	2.0
121.10147	9.8
123.08056	4.4
123.11704	1.2
125.06015	1.2
125.09634	1.5
129.06999	0.9
131.08560	5.8
133.10130	4.2
135.08072	1.9
135.11703	10.0
137.05949	0.8
137.09599	1.4
139.11206	0.7
145.10133	7.2
147.08070	1.2
147.11716	1.1
149.13254	11.9
150.13634	0.8
153.12782	2.1
159.11699	5.6
159.84216	0.6
160.12007	0.7
163.11192	13.1
173.09669	2.3
177.12759	2.8
181.12253	1.9
191.10684	1.9
195.13823	6.8
209.11699	3.1
221.19986	0.7
227.12689	3.1
267.36069	0.7
269.17465	53.7
270.17825	3.7
283.15381	45.6
283.18594	1.0
284.15793	3.2
459.27399	2.2
477.28464	100.0
478.28848	13.6
615.49097	0.9
675.26813	1.3
675.37695	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.5
55.01874	5.2
55.05260	1.1
55.05511	14.0
57.03437	12.1
57.07061	1.6
57.23730	0.7
59.04993	1.9
61.02925	5.2
65.03940	0.8
67.05500	28.5
68.05847	0.9
69.03403	1.8
69.07066	9.2
69.37286	0.6
69.63869	1.1
69.64275	2.6
71.01354	1.2
71.04993	3.1
73.02911	1.9
77.03894	0.8
79.05491	23.3
81.03413	15.6
81.07053	37.8
82.03720	0.7
82.07369	1.2
83.01343	5.0
83.04976	9.1
83.08613	11.3
85.02900	7.7
85.06529	2.3
88.81047	0.7
91.03954	2.4
91.05473	18.2
93.07041	33.9
94.07372	0.7
95.04971	7.5
95.08597	12.1
97.02898	3.5
97.06522	5.5
97.10117	1.6
98.06882	0.8
99.04448	2.0
105.07023	8.9
107.04932	4.5
107.08590	18.9
108.08917	0.8
109.02876	1.2
109.06519	7.3
109.10133	2.3
111.04455	2.0
111.08062	2.8
112.66910	0.7
117.07015	8.2
119.08575	7.4
121.06496	3.1
121.10136	10.1
123.08060	3.6
123.11721	1.6
125.09621	0.7
125.28942	0.7
129.07004	1.4
130.07835	0.8
131.04950	0.7
131.08539	6.2
133.10126	7.9
135.08055	2.4
135.11678	9.3
137.05975	0.8
137.09686	1.2
145.06525	0.9
145.10100	9.3
146.10513	0.7
147.08044	1.8
147.11708	1.5
149.02359	2.4
149.09605	1.2
149.13231	6.8
151.11143	0.9
153.12769	1.5
155.08478	0.8
157.10150	1.6
158.24213	0.8
159.11684	3.2
163.11176	12.9
173.09645	2.1
175.11253	1.3
177.12776	1.7
181.12213	2.1
191.10631	1.5
193.12259	3.0
195.13742	5.5
204.54012	0.6
209.11734	4.2
211.13272	1.8
222.01663	0.6
227.12807	2.7
228.23170	0.8
251.16246	0.6
267.15909	8.1
269.17459	31.9
270.17862	3.0
283.15375	57.1
284.15659	5.0
285.17068	1.5
367.22256	0.8
385.23468	1.0
429.12271	0.8
459.27521	5.2
460.27603	0.7
477.28445	100.0
478.28809	13.6
674.35065	2.5
675.35645	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.4835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.3
55.01873	4.1
55.05508	18.5
57.03431	2.0
57.07077	6.4
62.33347	2.0
65.46387	2.0
67.05502	50.8
69.03416	2.4
69.07065	21.8
71.04992	4.9
71.31869	3.0
79.05492	50.0
79.57347	1.8
80.05837	1.9
81.07059	78.4
83.04975	5.6
83.08619	14.4
85.06527	5.9
85.88686	1.6
88.97938	1.8
91.05483	17.3
93.06469	2.6
93.07040	32.3
95.04967	7.8
95.08604	100.0
96.08920	2.6
97.06527	8.5
97.10166	12.9
99.08098	3.2
101.02399	2.3
105.07023	34.9
106.07435	2.0
107.04976	2.5
107.08593	23.5
109.06509	4.3
109.10140	23.0
111.08079	4.8
112.08776	1.9
115.07555	2.1
117.07021	4.8
119.04982	2.2
119.08574	14.0
120.25670	1.9
121.06547	2.4
121.10134	21.2
123.08064	87.7
123.11695	7.6
124.08392	3.7
125.09598	9.7
129.07028	2.0
131.08539	10.1
133.06508	3.9
133.10141	12.2
135.08101	3.4
135.11694	15.4
137.05972	7.2
137.09598	8.8
137.13257	3.7
138.06348	2.6
139.11180	6.7
141.09119	13.3
141.76472	2.1
143.08531	2.4
145.10152	10.5
147.08055	2.6
147.11679	6.1
149.09608	5.2
149.13269	7.4
151.07542	42.0
151.11124	2.5
153.09131	6.2
153.12793	2.2
155.10643	3.6
159.11694	7.0
161.13211	4.9
163.11176	2.3
163.14810	4.9
167.41823	2.1
169.08635	8.9
169.66513	2.4
173.11867	2.9
173.13255	6.9
175.14841	2.5
185.13268	2.3
187.09692	23.9
187.14813	4.9
189.09161	2.8
189.11220	4.8
189.16418	2.9
190.09467	2.0
243.21074	6.1
261.22177	14.7
262.22546	2.4
273.18805	3.3
277.21487	3.9
279.23154	27.2
280.23428	2.4
295.22372	3.1
297.24225	29.2
343.21133	6.2
357.22693	4.9
399.32761	3.8
417.33640	8.7
429.29959	7.3
431.31528	4.0
435.34619	12.9
447.30914	16.0
449.32556	3.2
453.35675	10.8
465.31909	7.3
585.41626	10.8
603.42487	22.3
604.42194	2.9
621.43677	9.9
674.35962	7.9
675.42731	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	674.4837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	4.9
53.41594	2.2
55.01876	10.2
55.05517	60.7
57.03434	7.3
57.07088	3.8
60.05636	3.1
67.04482	2.8
67.05508	90.4
67.05872	4.7
68.04069	2.1
68.05845	5.1
69.03443	8.2
69.07072	67.5
69.62785	4.4
69.63197	9.3
70.07400	2.8
71.05024	6.4
79.05495	78.6
80.05856	3.8
81.03445	5.5
81.07063	100.0
82.07382	4.2
83.04979	16.6
83.08626	37.3
85.06543	7.4
87.04483	2.2
91.05479	37.9
92.05804	2.7
92.25932	2.4
93.07051	87.0
94.07380	6.1
95.04989	10.0
95.08611	63.1
96.08941	6.6
97.06535	18.6
97.10176	63.4
98.10518	2.7
99.08116	5.5
105.07038	31.6
107.04987	5.3
107.08600	51.2
107.09253	3.6
108.08931	2.5
109.06521	6.7
109.10159	39.0
111.04423	3.3
111.08110	7.5
111.11740	4.3
117.07022	9.8
119.08591	26.7
121.10155	63.2
122.10501	7.1
123.08065	19.9
123.11761	9.0
123.71915	3.0
125.09637	45.9
129.07031	5.7
131.08572	18.8
133.06531	2.9
133.10147	19.0
135.08072	11.0
135.11693	35.4
137.09630	17.0
139.11186	32.9
140.11513	3.4
143.08513	4.7
145.06561	2.9
145.10136	11.9
146.10445	3.3
147.08052	5.3
147.11688	14.5
149.09686	7.7
149.13261	10.9
151.07487	5.2
151.11194	6.9
153.09113	36.7
153.12747	4.2
157.10109	6.0
157.12256	3.0
159.11646	11.1
161.09622	5.2
161.13292	9.1
163.11214	5.4
163.14937	3.3
165.09134	3.9
167.10692	5.6
171.10289	5.2
171.11758	7.9
173.11745	4.2
173.13248	5.7
175.11188	3.9
175.14885	5.7
179.14380	3.3
181.12350	3.5
183.86166	2.6
184.07362	8.2
185.13278	5.3
187.14845	4.4
189.11249	40.3
203.12740	11.7
235.17152	2.4
241.19591	5.7
249.18643	2.8
249.22157	5.7
259.20538	13.1
261.22241	4.1
275.20062	3.0
277.21640	37.7
278.21875	3.6
279.23236	12.3
280.23572	5.6
291.19614	9.0
295.22699	68.5
296.23022	6.7
297.24380	6.2
298.24582	3.7
309.20746	6.5
327.21667	8.5
355.81793	2.6
397.31116	2.6
401.30331	3.2
411.29001	4.6
415.32178	10.7
418.34009	3.6
429.29932	21.6
433.33252	22.7
436.34799	3.6
446.33472	6.6
447.31067	44.3
451.34314	29.3
452.34488	5.0
454.36444	3.5
465.32153	34.6
466.32083	3.3
567.40277	2.9
584.44147	3.9
585.41516	38.3
586.41650	5.9
602.44421	11.1
603.33289	4.3
603.42603	64.4
604.42981	13.1
620.45709	4.7
621.43585	51.8
622.44208	12.8
674.41583	3.9
675.40240	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	0.3
53.03938	0.7
55.01877	0.5
57.03431	0.5
65.03941	2.6
67.05501	0.9
69.03433	1.4
70.06609	0.2
73.45437	0.2
76.71022	0.2
77.03928	0.2
79.05494	0.4
81.03407	2.2
85.02891	2.8
91.05460	0.4
93.03396	2.4
94.04203	0.4
95.04964	1.3
97.02898	1.1
99.04462	0.2
103.05458	0.7
105.04544	0.2
105.07011	0.5
107.04960	0.3
108.02099	1.3
109.02879	1.4
110.03635	0.5
111.04440	4.1
115.05415	0.3
117.07003	0.3
121.03939	0.2
121.06516	0.7
122.03628	0.7
123.04404	0.3
125.05984	3.7
127.03917	0.7
129.07018	0.2
131.04898	1.0
133.06487	1.8
135.08083	0.6
136.01584	0.4
137.05971	14.1
138.06310	0.3
139.03854	0.3
141.05473	1.3
141.07031	0.2
145.06499	0.5
149.05948	0.4
151.03899	100.0
151.04948	5.9
152.04237	3.5
152.05351	0.2
153.01848	0.9
154.02286	0.2
157.06429	0.3
161.05937	0.9
163.07552	2.7
165.05573	0.2
165.09035	0.2
169.04958	8.3
170.05293	0.2
175.07597	0.9
177.09093	0.4
179.07101	0.3
181.04976	0.3
181.08597	0.5
187.07530	0.4
188.08403	0.3
189.09111	0.8
201.09093	0.4
203.10735	0.5
207.10139	0.2
217.08656	0.2
219.10129	0.4
229.08595	0.4
248.88564	0.2
253.07005	0.2
271.09460	0.2
275.12201	0.2
291.10007	0.2
295.08112	2.1
295.13144	1.0
313.09152	5.1
314.09259	0.4
327.15884	1.2
351.15982	0.8
364.41489	0.2
605.47113	0.2
675.20984	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55999	0.8
53.03950	6.1
55.01896	1.1
55.05506	2.6
57.03432	2.4
67.05513	2.0
69.03429	13.4
69.63841	4.1
71.04987	2.0
75.04478	3.2
79.05484	19.6
81.03416	13.9
81.07066	4.8
83.04984	1.7
84.92059	0.9
85.02905	6.5
89.36913	0.8
91.05478	16.9
93.07040	88.4
94.07374	2.0
95.04974	2.7
95.08613	2.1
97.02879	9.2
97.06496	1.0
98.23296	1.0
99.04465	2.8
103.05457	1.4
103.28635	0.9
105.04531	2.3
105.07015	14.9
105.21835	0.8
107.04971	1.3
107.08595	13.8
109.02885	5.2
109.06524	1.2
109.10143	1.4
111.04446	1.6
111.08080	3.1
115.78854	0.9
116.06192	1.0
117.07025	1.0
119.08575	16.0
121.06515	2.5
121.10138	100.0
122.10477	3.8
123.08087	1.9
125.05975	0.9
127.03902	4.6
129.07037	1.4
131.08569	9.5
133.07602	1.5
133.10130	0.8
137.05966	2.7
139.11153	4.2
142.42151	0.9
145.04953	2.0
147.08145	1.0
149.09608	55.1
150.09962	2.0
151.03897	1.6
151.07475	1.4
153.01814	2.5
154.61058	0.9
167.07076	1.7
167.10664	20.7
168.11024	1.1
210.90739	0.9
271.02313	1.0
293.13812	11.4
299.01785	3.7
311.14813	14.4
316.02338	1.3
331.04395	7.9
338.49762	0.9
432.56500	1.0
548.79962	1.0
677.21692	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	676.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39418	0.7
51.02373	1.5
53.03942	3.3
54.05840	0.7
55.01876	1.1
55.05510	3.6
57.03426	1.9
61.02934	0.7
65.03943	1.5
67.05495	3.8
69.03429	6.3
69.07068	2.1
71.04970	0.9
71.31710	0.8
71.32072	0.9
79.01858	2.8
79.05486	8.4
81.03419	12.4
81.07055	6.2
83.04976	2.1
83.08595	0.8
85.02909	5.8
91.05484	11.9
93.03411	1.2
93.07049	22.7
95.04967	5.2
95.08601	3.2
97.02897	9.0
97.06528	1.0
97.10169	1.8
99.04445	2.7
102.97794	0.7
103.05466	2.5
105.07035	10.0
107.01325	2.3
107.04955	2.5
107.08591	7.0
109.02872	9.1
109.06517	2.0
109.10161	1.4
111.04446	2.3
111.08066	1.4
115.05479	1.2
117.07005	0.7
119.04947	5.0
119.08588	5.0
121.06521	1.7
121.10148	28.9
122.03635	1.9
122.10466	1.5
123.08021	1.7
123.11701	2.0
125.02340	3.6
125.06017	3.5
125.09657	0.9
127.03920	10.0
128.06245	1.0
129.07018	1.5
131.04927	1.5
131.08572	3.8
133.06479	3.4
133.07527	0.6
133.10120	1.9
135.08049	0.8
136.05231	1.7
137.05977	47.7
137.09575	0.8
138.06297	2.0
139.03894	0.9
139.11168	1.7
143.03424	5.2
143.08572	4.4
145.04991	2.1
145.06468	1.8
145.10121	2.7
147.04395	1.0
147.11708	2.9
149.05997	1.5
149.09618	15.2
149.13254	0.9
151.03952	6.7
151.07544	42.0
152.07935	1.4
153.01830	100.0
153.02875	4.5
153.05362	4.8
154.02144	2.0
159.08037	1.3
161.05981	2.9
162.06721	0.7
163.07561	1.9
163.11165	1.6
165.09142	10.4
166.01747	0.7
167.07030	2.2
167.10649	4.1
171.02872	11.6
171.08043	5.2
172.08797	1.0
173.06049	0.9
175.11195	1.2
177.09158	1.0
178.09901	1.6
179.07085	1.6
179.10611	1.0
184.07329	1.5
187.07578	1.2
188.08299	7.2
191.10698	1.5
193.08594	1.0
203.06961	1.1
203.10666	33.9
204.10988	2.5
207.06647	1.0
211.09628	0.7
221.11678	6.8
227.12643	0.8
253.14355	1.1
259.55341	0.9
285.11499	1.4
286.69916	0.8
293.13934	3.8
293.63696	0.9
297.06036	8.7
299.01950	0.8
311.15091	3.6
315.07117	6.9
320.85361	0.7
327.15897	35.5
328.16312	2.1
331.04721	1.7
345.17126	3.9
405.26434	0.9
443.28207	1.2
461.19632	2.4
461.28925	4.2
479.29639	1.7
481.12360	0.8
553.23431	2.0
571.55750	0.8
676.38379	1.3
677.27869	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	676.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.3
53.03942	1.4
55.01867	1.7
55.05505	2.2
56.57145	0.8
57.98446	0.8
60.28619	0.9
65.03929	1.7
67.05492	1.3
69.03428	4.7
69.07060	2.2
69.36626	4.7
79.01852	2.4
79.05486	2.6
81.03423	10.0
81.07059	5.2
82.93666	1.0
83.08601	1.1
85.02913	4.1
91.05482	8.7
93.03400	1.3
93.07044	2.2
94.04149	1.0
95.04951	2.6
95.08604	2.0
96.38658	1.0
97.02883	6.5
97.06506	1.0
98.22657	1.7
99.04462	1.8
100.33184	0.8
103.05474	1.2
105.07027	6.7
107.01287	1.3
107.04927	1.4
107.08606	3.6
109.02881	8.1
109.06481	1.1
109.10149	1.9
110.03680	1.0
111.04429	2.2
115.05464	1.0
119.04944	7.0
119.08625	1.5
121.02831	0.9
121.06546	1.3
121.10169	2.5
122.03642	1.1
123.08059	0.9
125.00001	1.1
125.02351	4.6
125.06033	2.3
127.03928	8.5
129.99591	0.8
131.04959	1.0
131.08600	2.1
133.06506	5.3
135.08151	1.2
137.05975	53.1
138.06293	1.2
139.11124	1.1
143.03391	4.4
143.08514	4.9
145.05006	1.2
145.06490	1.3
145.10121	1.4
147.11687	1.1
151.03928	10.3
151.07533	42.5
152.07860	1.2
153.01826	100.0
153.02881	4.8
153.05446	5.5
153.46463	1.0
154.02142	2.8
159.08092	1.5
159.11771	1.1
161.05968	1.8
162.06651	0.9
163.03922	1.8
163.07578	1.7
163.11211	1.6
165.09109	11.9
166.09508	0.9
167.07063	0.9
171.02858	11.2
171.08058	5.8
175.03899	0.8
175.07599	0.9
175.11122	1.7
177.09109	2.1
178.09888	3.2
181.04956	1.5
184.07381	2.8
188.08325	10.8
193.08617	1.7
203.10677	38.8
204.11058	1.8
219.33247	1.0
221.11702	6.4
242.28575	1.0
277.08551	1.0
287.05435	2.1
288.05722	1.6
297.05960	8.4
308.03891	0.9
315.07120	8.9
323.12790	1.3
323.46866	0.9
327.15897	39.6
328.16238	3.4
339.12091	3.5
345.16937	5.2
351.40088	1.1
461.28922	1.8
479.16876	1.4
632.14313	1.1
676.39832	1.5
677.30292	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03971	0.5
55.01902	0.4
55.51017	0.3
57.03454	0.7
58.99621	0.2
65.03986	0.9
69.03464	0.8
70.84686	0.6
71.89671	0.3
75.31239	0.3
78.04755	0.8
79.05509	0.6
81.03407	1.7
85.02935	1.0
91.05507	0.8
93.03431	0.9
93.07059	0.5
95.04994	1.0
97.02906	0.8
105.07054	1.4
106.04214	0.6
107.04990	1.6
108.02132	0.7
109.02884	0.7
111.04469	0.9
115.05445	0.3
121.02898	0.5
121.06535	0.9
122.03691	0.3
123.04424	3.0
124.05214	1.0
125.06021	1.0
126.06366	0.3
127.03956	0.9
127.88573	0.3
128.60745	0.3
133.06487	1.3
134.03627	0.3
135.04352	0.4
135.07968	0.3
137.05939	1.9
138.97258	0.3
147.04501	0.3
149.05992	2.1
151.03909	36.9
151.04970	2.2
151.07539	1.1
152.04549	1.2
153.01782	0.6
153.05476	0.6
155.06923	0.3
161.05975	1.6
163.07489	1.8
165.05499	0.4
166.06149	0.3
167.07034	100.0
168.07384	3.8
169.04965	3.5
175.07568	0.4
177.05525	0.6
177.09047	0.3
179.06972	0.6
181.04951	0.5
181.08565	2.0
189.09140	0.6
191.03354	0.4
193.08597	6.4
209.08037	2.1
211.09645	12.0
212.09958	0.5
235.09656	0.3
237.11119	0.5
241.10643	1.3
267.12323	3.1
285.13312	18.1
286.13547	0.9
295.08093	2.3
299.12515	0.4
313.09232	3.1
314.09155	0.4
317.13812	1.7
343.07855	0.3
597.05292	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74545	0.8
53.03946	1.8
55.01865	1.9
55.05514	12.4
57.03435	14.4
61.02935	5.3
65.03938	2.3
67.05505	41.5
69.03430	3.2
69.07064	11.5
70.34469	0.8
70.71629	0.8
71.04994	4.8
72.51383	0.8
73.02924	1.5
79.05492	27.8
80.05827	0.7
81.03050	0.5
81.03416	36.6
81.07055	53.5
82.07417	0.8
83.04974	11.0
83.08621	19.6
83.44635	0.7
85.02903	16.2
85.06573	2.3
91.03970	0.9
91.05478	28.0
93.06450	1.8
93.07040	33.3
95.04969	17.9
95.08607	14.0
97.02897	2.9
97.06532	6.0
97.10175	2.7
99.08116	1.8
105.07022	15.3
107.04970	3.8
107.08592	18.2
109.06522	3.4
109.10139	2.4
111.04435	1.8
111.08080	8.7
113.06034	1.2
115.05483	1.1
117.07002	5.1
119.08572	12.2
121.06511	2.5
121.10162	10.4
123.08075	2.0
123.11700	4.3
125.09761	0.9
129.07007	6.6
131.08569	10.1
133.06500	1.1
133.10139	13.9
135.11685	5.1
137.09615	0.9
142.07799	1.2
145.10165	1.7
147.08032	0.9
147.11688	8.3
149.09604	3.8
149.13260	9.1
151.11266	1.0
157.10132	9.1
159.11650	4.4
165.12837	1.1
175.11203	7.5
177.12686	1.7
193.12238	24.0
194.12633	1.3
195.13792	9.8
211.13281	36.8
212.13643	1.5
251.16333	1.3
267.15848	14.5
269.17465	53.2
270.17871	2.2
285.16956	35.7
286.17429	1.9
331.52609	0.9
443.28220	1.6
461.28995	25.0
462.29172	2.7
479.30032	100.0
480.30362	11.3
623.34747	1.0
677.28638	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.3
54.77621	0.9
55.01863	2.9
55.05511	14.4
57.03434	12.6
57.07076	2.5
61.02906	3.8
61.17926	1.0
65.03938	1.9
65.04890	1.1
67.05501	44.3
69.03416	4.3
69.07066	15.9
69.18610	0.9
69.18898	9.4
71.04984	5.5
73.02911	1.4
79.05489	33.4
81.03413	44.3
81.07053	61.8
82.07395	1.8
83.04977	14.4
83.08613	22.7
85.02904	18.4
85.06535	3.9
91.05473	30.7
93.06448	2.2
93.07039	41.5
95.04965	21.9
95.08594	16.0
95.70587	1.0
96.05281	0.9
97.01965	1.0
97.02871	4.3
97.06525	7.3
97.10158	3.4
98.23299	1.7
99.04465	1.1
99.08065	2.4
105.07027	19.4
107.04946	5.0
107.08591	21.7
109.06499	4.3
109.10149	2.5
109.74146	1.2
111.08067	8.8
113.05999	1.7
115.05437	1.5
117.06989	4.9
119.08572	14.9
121.06505	2.5
121.10145	15.3
123.08050	1.9
123.11706	2.6
125.09601	1.2
129.06987	7.1
131.08559	12.1
133.06496	2.3
133.10133	10.6
135.08025	1.6
135.11644	4.9
142.07822	2.3
145.10115	1.5
147.08047	2.9
147.11676	9.1
149.09634	5.5
149.13237	18.1
149.14444	1.1
157.10088	10.6
159.11691	7.7
165.12781	2.8
175.11183	11.1
177.12727	4.0
193.12233	29.1
195.13808	8.8
211.13281	47.6
212.13681	1.8
213.14842	1.6
232.78949	1.1
265.45782	1.1
267.15872	24.5
268.16269	2.2
269.17468	71.2
270.17746	4.7
285.13754	2.2
285.16931	36.9
285.20007	2.3
286.17245	2.7
423.04608	1.0
461.28925	52.8
462.29169	7.3
479.29999	100.0
480.30289	15.3
629.60547	1.3
641.13403	1.3
677.29004	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	677.171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01601	0.3
51.02372	0.7
53.00296	0.1
55.01870	0.3
60.91571	0.1
67.01879	0.1
68.99770	0.2
69.03435	0.6
69.20995	1.0
69.21307	0.2
71.01051	0.1
71.04991	0.3
79.01853	5.0
79.05466	0.1
80.02172	0.2
81.03432	1.1
83.01340	0.5
85.02878	0.5
95.04965	0.3
97.02891	1.5
99.04442	0.2
102.36695	0.1
105.07050	0.4
107.01308	1.3
107.04935	0.2
109.02869	1.2
113.05991	0.4
113.86987	0.1
115.05414	0.1
117.07052	0.1
119.08547	0.2
123.00792	0.2
123.04422	0.4
123.08015	0.2
125.01431	0.1
125.02350	2.8
127.03935	1.5
129.06992	0.2
131.04910	0.2
133.06485	0.1
133.10049	0.3
135.04361	0.2
137.06018	0.6
141.05463	0.1
143.03400	5.9
143.08580	0.2
144.03770	0.1
146.07278	0.2
147.08018	0.4
151.03920	0.3
153.01826	100.0
153.02882	5.3
154.02161	2.9
154.03386	0.3
159.04431	0.3
161.05991	0.4
161.09601	0.5
163.03909	0.3
165.09093	0.6
171.02898	1.5
171.08066	0.3
175.07504	0.4
177.05518	0.4
178.06252	0.1
189.05504	0.1
189.09100	1.3
191.03496	0.1
191.06976	0.9
192.07750	0.4
193.08597	1.4
199.07521	0.4
199.11307	0.1
203.07054	0.6
203.10677	0.2
205.04942	0.3
205.08556	0.6
206.05791	0.1
207.06554	0.3
211.09615	2.5
212.08336	0.2
213.03821	0.2
213.05614	0.2
213.09190	0.2
215.07098	0.2
217.05080	0.3
217.08591	1.6
223.09644	0.4
227.10654	0.3
230.09331	0.2
231.06546	2.0
231.10197	0.5
233.04440	0.7
235.09627	2.2
237.03877	0.4
241.08649	0.3
245.11766	0.2
249.07562	1.2
253.10713	1.8
255.04941	1.3
255.10168	0.5
259.09702	0.4
260.42892	0.1
261.03922	0.6
271.91284	0.1
273.11267	0.5
277.10678	0.5
279.05011	0.3
283.09705	0.9
289.10583	0.4
297.06030	2.3
301.10699	4.8
302.10950	0.5
319.11743	4.6
320.11966	0.2
337.12784	0.3
348.46725	0.1
355.14063	0.1
401.08878	0.2
429.11691	0.5
467.08206	1.1
471.12830	0.2
507.15189	0.3
677.37372	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	0.4
51.02166	0.1
51.02382	0.5
53.00301	0.1
53.03935	0.3
55.01862	0.3
55.05501	0.2
57.03434	0.1
60.08171	0.1
67.05492	0.4
68.99796	0.2
69.03429	0.7
69.07065	0.2
69.18344	0.2
69.18745	0.6
71.04985	0.2
79.01378	0.2
79.01851	4.4
79.05495	0.3
81.03418	1.1
81.07076	0.5
83.01337	0.9
83.04966	0.2
85.02893	0.2
85.06551	0.1
86.09696	0.1
87.00840	0.2
89.41813	0.1
91.05490	0.5
93.07044	0.3
95.04972	0.3
95.08600	0.5
97.02898	1.5
97.06535	0.1
98.23480	0.1
99.04458	0.1
105.07030	0.3
107.01313	1.1
107.08579	0.3
109.02879	1.6
109.06522	0.6
109.10131	0.2
111.08082	0.1
113.05998	0.4
119.08572	0.3
121.06557	0.1
121.10140	0.2
123.00816	0.2
123.04427	0.2
123.08105	0.6
125.02352	2.7
125.09615	0.2
127.03918	1.2
127.88691	0.1
131.04912	0.2
133.10126	0.1
135.11716	0.1
137.05949	0.7
137.09622	0.3
141.05360	0.1
143.03403	5.4
144.03793	0.1
145.10115	0.1
147.08018	0.3
150.06792	0.2
151.07555	0.5
153.01828	100.0
153.02881	5.1
154.02153	3.2
154.03394	0.2
157.06741	0.1
159.04405	0.4
161.05980	0.1
163.03989	0.2
165.09125	3.3
171.02890	1.9
171.04332	0.1
175.07574	0.5
177.05457	0.2
178.06151	0.1
181.01315	0.3
184.07291	0.2
187.03949	0.1
187.07701	0.1
189.05389	0.1
189.09100	0.1
191.07013	0.1
193.08598	4.9
194.08919	0.2
197.00763	0.1
205.04951	0.2
211.09662	7.0
212.09976	0.3
215.03423	0.2
217.04967	0.3
217.08583	0.2
231.06537	0.3
233.04440	0.8
235.09660	0.2
235.13416	0.1
237.04030	0.3
243.02866	0.2
249.07503	0.2
253.10652	0.1
255.05008	0.2
261.03940	0.8
279.01886	0.1
279.04962	0.3
290.80975	0.1
297.06046	3.0
301.10773	0.4
315.07004	0.1
319.11923	0.5
330.08875	0.1
449.07047	0.3
461.29007	0.3
462.29254	0.3
467.08261	1.3
468.08194	0.1
479.29443	0.1
677.31439	0.4
677.41577	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	677.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	0.3
51.02375	0.4
53.00705	0.4
53.03947	0.8
55.01864	2.3
55.57852	0.4
56.01056	0.3
65.03928	1.8
67.05496	2.1
68.99770	1.2
69.03420	0.8
69.31351	1.9
69.31757	0.5
76.09635	0.3
77.03922	0.8
79.05493	2.2
81.03426	0.9
82.87601	0.3
83.01370	0.5
83.04976	0.5
84.64404	0.3
85.02908	0.6
86.57294	0.4
91.05482	0.9
93.03388	0.7
95.04961	5.0
97.02869	1.0
103.05460	3.0
104.64681	0.3
105.03394	1.9
107.04953	4.9
109.02859	1.6
111.04422	1.3
115.05460	0.7
117.03389	0.5
117.07008	5.5
119.04910	1.0
121.02853	1.4
123.04420	11.9
124.04648	0.4
125.02361	0.7
125.06007	0.7
127.03913	1.8
131.04915	8.0
131.05884	0.6
133.02834	6.8
133.06454	0.4
135.04402	6.1
136.04756	0.4
137.02420	0.3
137.05949	7.6
139.03888	40.0
140.04344	1.1
141.05414	0.5
143.04796	0.3
145.06482	10.0
146.06831	0.6
147.04401	1.1
149.05975	1.2
151.03889	100.0
152.04167	3.5
153.01779	2.0
153.05432	3.4
155.07014	1.5
157.06487	0.8
159.04430	1.2
161.05989	1.4
163.03899	17.5
163.07491	2.9
164.04256	0.7
165.05539	1.7
167.07024	7.4
169.04970	7.9
169.06419	0.7
173.05968	1.1
175.03928	1.5
175.07532	0.9
177.05502	2.3
177.09100	4.7
179.03374	1.3
181.04942	12.3
182.05368	0.5
183.06535	1.9
185.05954	1.8
187.07520	1.5
189.05450	6.2
189.07098	0.5
189.08878	0.4
191.07028	0.9
193.04929	2.8
195.06503	2.5
197.06010	0.8
201.05536	0.4
203.03462	0.3
203.07101	0.7
205.05000	1.5
205.08591	7.9
205.10425	0.6
206.09055	0.5
213.05490	1.6
215.06969	0.6
218.07237	0.4
221.09686	0.4
223.05994	0.7
227.06970	0.8
229.04977	0.4
231.06503	1.4
233.08148	2.0
234.06764	1.1
235.07567	0.5
237.05399	0.6
237.18076	0.4
239.07109	0.4
241.04924	0.8
247.05878	0.5
249.09128	1.7
255.06557	1.5
259.06036	1.4
266.09354	0.4
273.07626	0.5
277.08929	1.9
281.11584	0.9
283.05930	1.1
301.07016	4.1
309.11197	2.7
310.11765	0.5
319.08087	68.5
320.08386	5.3
341.13748	2.4
342.13861	0.4
359.14847	69.2
360.15152	5.9
677.22974	1.1
677.33032	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
57.03434	0.5
69.03427	2.4
70.63811	0.9
79.01845	3.8
81.03406	4.6
85.02906	3.0
91.05485	1.1
93.07032	0.5
94.04176	0.9
95.04964	1.1
96.82832	0.5
97.02882	3.9
99.04441	0.8
103.05462	1.4
105.07026	1.1
107.01305	1.8
107.04934	0.5
109.02862	5.2
110.58810	0.5
111.04455	0.7
115.57777	0.5
119.04920	0.8
121.06493	1.5
122.03663	1.3
123.04375	0.6
124.63417	0.5
125.02354	3.4
127.02993	0.8
127.03894	7.0
131.04895	3.4
133.06490	4.5
135.08064	1.7
137.05972	31.8
138.06328	1.1
139.03882	1.0
142.03528	0.6
143.03392	4.4
145.04996	0.8
145.06465	1.3
149.05939	0.7
151.07536	3.3
153.01816	100.0
153.02843	3.5
154.02161	4.2
161.05983	1.5
163.03859	0.6
163.07549	8.4
165.05486	0.9
167.07033	0.8
171.02879	10.4
174.06790	0.7
175.07518	1.5
177.09084	3.3
181.04964	1.6
181.08510	0.7
184.49850	0.6
187.07503	1.1
189.09109	2.2
191.03427	0.8
201.09106	0.8
203.06937	0.6
203.10699	0.8
229.08443	0.7
253.08537	0.5
263.10608	0.5
279.05093	1.0
295.13251	2.7
297.06000	3.1
315.07080	10.9
327.15845	3.2
335.39612	0.5
351.16107	1.1
369.17062	0.6
616.04712	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34016	0.2
50.54937	0.2
51.02385	0.8
52.23587	0.2
53.03933	0.6
53.15865	0.3
55.01862	0.4
57.03426	0.4
69.03416	2.3
71.32449	0.3
79.01854	3.0
79.05494	0.6
81.03412	4.7
85.02892	3.7
91.05473	0.7
93.07056	0.3
94.04184	0.7
95.04961	0.8
95.98580	0.2
97.02878	2.8
99.04445	0.3
103.03915	0.2
103.05454	1.9
105.07013	0.8
107.01315	1.7
107.04934	0.3
109.02866	4.3
109.06525	0.4
111.04424	0.6
117.07000	0.3
121.06528	1.2
122.03631	2.1
123.04436	0.3
125.02332	3.2
127.03907	6.1
129.06981	0.6
131.04910	2.5
133.05524	0.4
133.06474	4.0
135.08022	1.5
137.05965	32.9
138.06291	0.7
141.06934	0.4
143.03392	4.1
143.08493	0.3
145.04987	0.8
145.06378	1.1
147.07976	0.2
149.05971	0.8
151.03961	0.4
151.07555	3.1
153.01814	100.0
153.02850	3.9
154.02138	2.2
157.06514	0.5
160.05206	0.4
161.05968	1.3
163.03836	0.4
163.07524	7.7
164.07913	0.3
165.05470	0.3
165.09111	0.3
167.07028	0.6
171.02879	10.4
171.07991	0.4
172.03172	0.3
174.06786	0.6
175.07491	1.3
177.05544	0.3
177.09149	0.6
179.03542	0.3
181.04874	0.3
181.08592	0.8
187.07529	0.8
189.09059	1.4
195.02885	0.3
201.09077	0.7
203.06956	0.5
203.10663	1.4
213.03868	0.4
217.08646	0.3
219.10089	0.7
229.08580	0.6
235.11136	0.3
247.09387	0.3
248.14352	0.2
253.08534	0.3
255.05031	0.4
263.10605	0.6
279.04947	0.7
295.13248	3.1
297.06055	3.6
315.07056	11.8
316.07373	0.3
323.12720	0.4
325.14044	0.3
327.15881	2.9
351.15826	1.0
369.16895	0.7
393.16888	0.3
435.17807	0.5
453.18900	0.4
561.15771	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
55.01875	0.5
55.05500	2.3
57.03432	1.7
57.07064	0.6
58.54160	0.4
61.02918	5.3
65.03949	0.6
67.05503	12.0
69.03429	2.7
69.07065	2.9
71.04995	1.0
71.32851	0.6
73.02916	3.3
75.45416	0.4
79.05485	8.3
80.77409	0.4
81.03430	1.8
81.07053	12.7
83.04982	1.8
83.08619	1.8
85.02893	4.9
85.06553	0.9
91.03947	3.3
91.05469	5.7
93.06456	0.6
93.07041	11.4
93.13572	0.4
94.07370	1.0
95.04971	1.1
95.08596	6.8
97.02895	3.9
97.06550	1.1
97.10166	0.7
99.04462	0.7
99.08115	0.6
101.02380	1.8
105.07032	3.9
107.08589	5.6
109.02888	1.0
109.06532	0.5
109.10135	3.1
111.08084	1.0
117.07008	2.1
119.08567	3.2
121.10143	4.1
122.10471	0.5
123.11741	1.3
125.09595	0.4
127.03922	1.8
129.06996	0.8
131.08528	2.1
133.10130	2.8
135.08060	0.4
135.11674	2.7
137.05971	0.4
137.13234	0.6
139.11180	0.4
143.08557	0.8
145.04936	0.8
145.10164	1.1
147.11682	3.0
149.13286	3.6
151.10036	0.4
151.11218	0.6
153.01732	0.4
159.11617	1.9
161.13225	2.0
163.06055	0.6
163.14769	0.8
165.29358	0.4
171.11751	1.4
172.12213	0.4
173.13292	1.1
177.05446	0.5
177.16362	0.4
185.04163	0.7
191.14250	0.4
201.16479	0.8
216.13547	0.5
235.13049	1.2
243.08342	2.9
243.21008	2.3
247.13135	1.0
261.22107	7.2
262.22528	0.5
269.17514	1.1
303.15649	0.7
335.25818	2.1
353.26892	1.9
369.79510	0.5
453.20966	8.4
454.21371	0.7
463.30637	1.9
465.20966	8.2
466.20981	0.7
486.60913	0.4
677.34967	100.0
678.35309	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	677.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05460	0.2
56.95073	0.2
57.07048	0.2
57.43643	0.2
67.05492	0.3
68.90815	0.1
69.29058	1.3
70.06551	0.2
81.07042	0.2
88.07574	0.3
93.07069	0.2
95.08564	0.3
105.07030	0.2
109.83325	0.1
145.10130	0.3
147.04349	0.2
150.09692	0.2
163.03847	0.3
185.04175	0.8
193.04924	0.6
201.29483	0.2
203.05292	2.1
243.70024	0.2
256.26340	1.0
259.07935	1.4
305.08466	0.3
347.09457	1.4
365.10580	4.0
421.13062	1.2
515.31891	24.8
516.32294	2.9
624.02826	0.2
677.37128	100.0
678.37463	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	677.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05473	0.2
55.15191	0.1
64.64399	0.1
67.05453	0.4
69.03404	0.1
69.07017	0.2
70.01141	0.4
70.06567	0.3
79.05447	0.3
79.41087	0.1
81.07014	0.4
83.08578	0.1
88.07603	0.2
91.05435	0.2
93.06991	0.3
95.08566	0.4
97.06508	0.1
97.10142	0.2
105.06999	0.3
107.08549	0.3
109.10098	0.2
119.08576	0.2
121.10151	0.1
133.10081	0.2
135.11667	0.2
137.09575	0.1
145.10077	0.2
149.02307	0.2
177.05423	0.2
185.04199	1.0
187.14752	0.1
193.04924	0.4
203.05313	0.1
211.11658	0.1
256.26297	0.5
259.07938	0.8
305.08621	0.1
319.43121	0.1
347.09482	1.2
353.26758	0.2
365.10559	0.2
398.49948	0.1
421.13211	0.3
515.31903	24.7
516.32251	3.2
587.34259	0.1
619.88220	0.1
629.69141	0.1
651.60345	0.1
677.37097	100.0
678.37457	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	677.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.0
55.01880	1.4
55.05509	16.3
57.03439	7.3
57.07082	4.2
59.04997	0.7
61.02633	1.6
61.02925	18.1
61.03213	1.5
62.32557	0.7
65.03939	3.4
67.05505	82.8
68.05849	1.6
69.03432	3.5
69.07066	13.6
70.07381	0.9
71.04994	3.2
71.08609	0.9
71.31653	0.8
73.02917	6.3
75.04479	1.8
79.05492	45.7
80.05807	1.2
81.03421	3.7
81.07056	87.8
82.07393	2.2
83.04993	1.9
83.08623	11.1
85.02899	19.7
85.06544	2.8
87.04469	0.9
91.03951	18.0
91.05482	26.3
93.07043	57.8
94.07391	2.2
95.04966	3.7
95.08607	69.2
96.08948	1.6
97.02896	10.3
97.06544	4.2
97.10185	4.1
99.04467	1.2
99.08103	2.0
103.03954	1.0
103.05478	0.9
103.65827	0.9
105.04576	0.8
105.07034	19.2
107.08595	40.5
108.08963	0.8
109.02879	1.0
109.06509	1.8
109.10155	36.0
110.10542	1.1
111.08083	1.9
113.09646	1.4
117.07017	9.6
119.08592	15.3
120.08979	1.1
121.10141	37.5
122.10501	1.8
123.08092	1.8
123.11700	17.3
125.09654	2.4
127.03902	5.7
129.05518	0.9
129.06993	1.4
131.08566	21.1
132.08887	1.2
133.10130	14.9
135.08090	0.8
135.11694	30.9
136.12033	1.2
137.09602	2.4
137.13239	8.7
138.13623	1.0
139.11162	2.0
145.04927	8.2
145.10120	15.9
147.11702	12.8
149.09630	1.9
149.13251	22.3
150.13628	1.2
151.11226	2.3
151.14835	1.7
153.12726	1.9
159.11694	15.9
160.12061	1.0
161.13258	12.1
163.06013	10.6
163.11134	1.6
163.14806	15.7
164.15149	1.3
165.12794	3.2
167.14275	1.1
170.10539	0.8
171.11710	1.2
173.13255	17.7
174.13585	1.1
175.14821	3.9
177.12744	1.8
177.16402	7.1
179.14323	2.9
187.14844	8.6
189.16449	1.0
191.14326	2.4
193.15802	1.0
201.16420	3.7
205.08528	0.9
205.15880	2.8
215.17950	1.5
219.17569	1.1
233.22652	5.2
243.21085	31.6
244.21442	2.3
261.22134	100.0
262.22461	7.0
263.23795	1.6
279.23163	5.4
317.24747	1.5
335.25797	34.3
336.26105	3.4
353.26849	29.4
354.27063	2.5
461.28424	1.1
463.30591	3.2
479.30029	1.0
497.31161	5.1
677.34454	18.0
678.35193	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	677.404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02156	0.2
51.02386	0.4
53.03949	0.4
55.05507	1.0
57.07085	0.3
65.03937	2.3
67.05499	1.6
69.07059	1.2
69.52930	0.2
69.53259	1.3
74.94019	0.2
79.05484	1.3
81.07051	3.8
83.04971	1.3
83.08620	0.5
91.05474	17.8
92.05812	0.4
93.07046	3.2
95.04987	0.5
95.08601	5.1
96.08908	0.2
97.06519	0.4
97.10148	0.4
97.62592	0.2
98.22662	0.5
98.76623	0.2
105.07029	4.5
107.08583	4.9
108.08908	0.3
109.06495	0.4
109.10152	3.1
111.08096	0.4
115.45278	0.2
117.06997	0.6
119.04936	32.9
119.08569	5.9
120.05275	1.2
121.10139	3.7
123.08074	0.5
123.11703	1.4
125.09641	0.6
129.06970	0.4
130.07753	0.2
131.08559	2.0
133.10123	4.1
134.10468	0.3
135.11667	2.0
137.13202	0.4
141.86874	0.2
143.08580	1.2
144.09299	0.3
145.10120	4.6
147.04396	100.0
147.11679	3.0
148.04730	3.5
149.09636	0.2
149.13200	1.3
150.92943	0.2
151.11136	0.6
153.09067	0.3
157.10060	1.0
159.11690	4.1
161.13240	2.3
163.14775	1.3
165.05533	0.4
171.11649	0.7
172.12311	0.3
173.13226	2.0
175.14793	2.1
177.12688	0.4
177.16382	1.9
183.11687	0.3
185.13281	0.3
187.14816	3.9
189.16379	4.7
191.14357	1.5
191.17911	1.4
197.13193	0.3
199.14799	1.2
201.16373	6.5
202.16689	0.4
203.14305	0.3
203.17929	2.1
205.15849	1.2
207.17497	0.5
213.16364	2.4
215.14484	0.2
215.17937	2.6
217.15918	1.3
217.19548	0.7
219.13911	0.5
219.17421	3.7
221.15320	0.4
227.17957	0.3
229.19475	0.3
231.17336	0.3
233.19003	0.8
235.16927	2.0
236.17184	0.3
241.19460	0.8
243.17325	0.2
243.21075	0.5
247.16908	0.8
255.21042	0.5
256.26273	0.6
261.18472	0.9
267.21057	0.9
294.73587	0.2
389.32050	1.2
395.29138	0.5
407.27921	0.4
407.33047	7.3
408.33533	1.1
409.34326	0.6
425.33969	1.1
435.32654	1.4
453.33606	5.7
454.33786	0.9
590.15448	0.3
617.56018	0.2
677.40796	1.6
677.54022	0.5
678.54132	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4036
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66373	0.3
55.05505	1.0
57.07063	0.3
65.03944	1.6
67.05495	1.0
69.07065	1.1
69.09331	0.2
69.09626	2.9
79.05482	1.1
81.07056	3.5
83.04965	1.6
83.08615	0.4
88.07616	0.4
90.37697	0.3
91.05476	15.4
92.05802	0.7
93.06575	0.3
93.07053	2.8
94.78858	0.3
95.04958	0.7
95.08601	5.1
96.83830	0.3
97.06493	0.4
97.10164	0.7
102.09171	0.5
105.07034	4.3
107.08577	5.0
109.06548	0.5
109.10159	3.4
111.08076	0.5
117.07005	0.6
119.04937	30.8
119.08572	5.0
120.05247	1.1
121.10137	3.8
123.11702	1.5
125.09634	0.8
127.05180	0.4
129.07014	0.5
131.08592	1.8
133.10135	4.6
134.71979	0.3
135.11711	2.7
137.13278	0.4
143.08549	0.9
145.10120	2.7
147.04399	100.0
147.11658	2.3
148.04744	3.6
149.02296	0.4
149.13237	1.7
151.11162	0.5
157.10083	0.7
159.11668	2.9
161.13258	2.9
163.03957	0.3
163.14821	1.7
165.05481	0.7
171.11684	0.8
173.13260	2.1
175.14812	3.0
177.16391	3.7
185.13251	0.7
187.14799	3.4
189.16391	3.9
191.14302	1.3
191.17986	0.9
193.04950	0.5
199.14842	1.0
201.16350	4.1
203.17966	2.6
205.15881	0.9
213.16374	3.7
215.18019	1.7
215.52962	0.3
217.15883	1.2
217.19473	2.0
218.19868	0.3
219.17397	2.4
225.16360	0.6
227.17813	0.5
231.17410	0.6
241.19466	0.7
243.21094	0.4
245.22562	0.6
247.16908	0.4
253.19574	0.4
255.20949	0.4
256.26361	1.1
257.22681	0.4
259.16989	0.9
261.18549	0.4
267.21106	1.6
269.22665	0.4
389.32010	0.8
391.33377	0.4
395.29419	0.7
407.33109	2.7
408.33380	0.5
409.34708	3.1
410.35135	0.4
425.34128	4.8
435.32492	0.9
453.33636	5.2
454.33905	0.7
485.36710	1.5
604.65540	0.3
677.26221	0.6
677.40765	2.5
677.54419	1.0
678.26880	0.4
678.40186	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.3692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.6
55.01863	4.2
55.05509	8.1
57.03434	10.4
59.05005	1.2
61.02919	3.8
65.03931	1.7
66.85352	0.8
67.05502	30.5
69.03416	6.9
69.07066	9.9
69.65025	3.3
69.65430	1.4
71.04981	5.0
73.02921	3.2
79.05489	19.2
81.03414	28.3
81.07053	30.8
82.03732	1.0
83.04974	14.1
83.08617	10.8
85.02898	13.0
85.06541	3.8
86.09708	1.3
91.03954	2.7
91.05477	35.1
93.07042	23.7
94.07427	1.3
95.04958	12.4
95.08591	8.4
97.02874	6.1
97.06521	3.9
97.10182	3.4
99.04454	3.5
101.02387	1.1
101.05216	0.9
105.07027	26.2
105.07741	2.0
106.07352	1.5
107.04956	4.0
107.08582	22.8
108.08869	0.9
109.02865	1.3
109.06521	5.5
109.10150	34.4
110.10480	1.1
111.04412	2.2
111.08074	7.6
113.06014	1.7
115.05518	1.3
117.07019	1.4
119.08572	10.7
121.06534	1.1
121.10135	12.9
123.08075	2.6
123.11714	8.2
124.99969	1.5
127.03915	2.2
127.07607	2.2
128.06248	1.5
129.07018	4.0
131.08562	8.1
133.10123	47.0
134.10474	1.7
135.08029	1.2
135.11658	1.9
137.05981	2.4
137.09593	2.3
142.07800	1.8
143.08609	1.0
145.10130	2.1
147.08064	1.4
147.11690	6.5
149.09631	4.7
149.13312	1.0
151.03886	3.1
151.11179	17.9
152.11508	1.3
153.01877	1.2
157.10123	6.2
158.10474	1.0
159.11696	1.5
161.05919	1.5
161.09634	1.3
163.07521	1.1
163.11134	1.9
165.09171	1.0
165.12753	2.3
167.10690	2.0
169.12268	3.8
175.11157	5.6
179.10664	1.0
181.08528	0.9
184.07327	6.0
193.12253	17.3
194.12683	1.1
195.13655	1.0
197.11819	0.9
203.17255	0.8
211.13295	34.5
212.13692	2.1
243.08337	1.6
253.14334	100.0
254.14691	5.8
267.15918	9.6
271.15393	19.7
285.16956	23.0
286.17361	2.2
311.14874	0.9
333.17157	2.1
445.25952	6.1
453.20859	4.6
463.26831	17.6
464.27322	2.1
467.18832	4.5
481.27899	53.1
482.28247	5.4
678.33801	2.0
679.32959	79.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.6
53.04201	0.2
54.67406	0.3
55.01868	0.5
55.05518	1.1
57.03441	1.5
58.60121	0.2
61.02932	3.7
67.05505	3.0
69.03426	1.8
69.07074	1.0
71.01369	0.3
71.05012	0.4
73.02913	2.1
79.05507	2.1
81.03422	2.2
81.07058	3.9
83.01356	0.4
83.04987	0.4
83.08612	1.1
85.02908	3.6
86.09734	0.3
87.04472	0.4
89.32931	0.2
91.03960	2.6
91.05471	1.4
93.07051	4.0
95.04984	0.7
95.08620	1.4
97.02896	3.1
97.06551	0.6
99.04470	0.8
101.02382	1.2
105.07047	0.9
107.04995	0.5
107.08588	1.8
109.02887	0.7
109.06509	0.5
111.08054	0.4
115.03931	0.3
117.07041	0.9
119.08598	0.9
121.06530	0.4
121.10133	1.5
123.08104	0.5
127.03936	1.1
129.27248	0.2
131.08572	0.6
133.10158	1.1
135.08029	0.3
135.11693	1.5
138.68802	0.3
145.10181	1.0
149.13322	1.0
159.11665	0.4
163.11203	1.7
163.22400	0.2
177.05534	0.7
177.12784	0.4
184.07358	1.4
185.04161	0.4
190.21030	0.3
195.13780	0.5
203.05460	0.3
209.11748	0.4
235.13084	0.5
238.60089	0.3
243.08382	1.7
249.11058	0.5
269.17438	0.5
280.16949	0.3
283.15399	0.3
341.85529	0.3
351.11954	1.6
393.08655	0.3
424.27539	0.3
450.29453	0.3
453.20944	5.9
454.21283	0.8
467.18869	7.3
468.19531	0.6
636.03870	0.3
679.32965	100.0
680.33362	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
55.01880	1.0
55.05510	1.6
57.03432	1.8
57.07085	0.4
61.02931	6.1
67.05506	5.2
68.05819	0.5
69.03429	3.2
69.07076	1.2
69.13796	1.3
69.14208	2.0
71.01359	0.4
71.05003	1.1
73.02915	3.7
77.82164	0.4
79.05492	3.4
81.03419	3.2
81.07063	5.6
83.04999	0.9
83.08613	1.7
85.02910	5.1
85.06537	0.6
86.92106	0.3
91.03966	3.8
91.05479	2.6
93.07051	4.9
95.04966	0.8
95.08611	2.0
97.01938	0.4
97.02892	5.7
97.06537	1.1
97.10155	0.5
99.04470	1.0
101.02366	2.0
103.03954	0.4
105.07045	1.0
107.04971	0.7
107.08590	3.1
109.02898	0.8
109.10188	0.8
111.08072	0.4
117.07066	1.2
119.08572	0.9
121.10169	1.5
123.08060	0.6
123.11743	0.4
127.03942	1.3
127.26923	0.3
129.05490	0.4
131.08562	0.9
133.10132	1.8
135.11720	1.3
145.10139	0.9
149.13312	1.4
153.21840	0.4
159.11717	0.7
163.11230	1.4
184.07419	1.0
185.04271	0.7
191.64737	0.3
195.13907	1.1
203.05359	0.5
206.09512	0.4
243.08356	2.4
249.10933	0.7
256.18948	0.5
269.17538	0.8
291.15292	0.4
424.27838	0.5
439.96310	0.5
450.29327	0.7
453.20941	9.1
454.21378	0.9
464.63779	0.4
467.18808	6.8
468.19046	0.6
504.81033	0.4
512.95343	0.4
679.32996	100.0
680.33325	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	679.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	2.0
57.07068	4.3
60.68576	1.5
67.05498	4.1
69.00629	14.3
69.03434	1.5
69.07051	2.4
71.05004	2.4
79.05483	5.4
81.07054	5.9
83.04994	2.2
83.08617	1.8
85.06543	3.4
86.70638	1.1
88.28686	1.4
91.05498	4.8
93.07047	5.6
95.04948	1.6
95.08610	6.0
97.06532	2.4
98.22515	2.6
105.07021	5.1
107.08595	5.8
109.06548	2.1
109.10182	1.9
109.68944	1.3
111.08067	1.6
117.07056	1.9
119.08580	6.9
121.06472	2.0
121.10166	7.6
121.10876	1.3
123.08080	2.4
131.08556	4.4
133.10155	3.8
135.08047	4.1
135.11687	3.0
137.09607	1.9
139.11194	4.6
143.08554	2.4
145.10115	7.4
147.08063	2.7
147.11705	2.6
149.09602	4.8
149.56258	1.2
153.05486	4.6
155.08531	1.6
157.10162	2.0
158.10896	1.4
159.08002	2.3
159.11710	3.8
161.09634	1.7
163.11255	1.9
165.09099	3.0
167.10634	1.3
173.09651	1.6
173.13248	3.2
175.11290	2.0
177.05464	1.7
177.09088	2.4
177.12798	1.9
180.56003	1.3
187.14842	2.1
191.07106	2.3
191.10550	2.0
191.14363	2.0
193.08635	2.3
197.13335	2.3
201.12750	1.5
201.16406	3.2
203.17931	1.7
203.65125	1.3
205.08600	5.8
209.15401	1.6
211.09595	4.0
215.14310	6.8
223.09651	5.2
233.15334	5.3
235.09404	1.4
237.14873	7.3
247.09587	3.2
251.16426	2.9
261.11420	2.2
269.11676	1.8
275.12689	1.8
289.14456	1.5
299.12759	3.1
315.12076	1.5
317.13785	4.5
325.14230	2.6
327.15735	1.8
335.12756	2.7
341.17514	2.9
343.15326	2.8
343.19141	1.7
345.16992	4.8
351.15698	1.3
353.13889	7.6
355.19174	1.5
359.18433	3.3
365.17746	1.4
369.16949	6.0
371.14999	2.5
383.22540	1.5
387.17853	7.9
387.21945	2.8
401.23199	9.2
407.22485	2.2
411.10568	2.7
411.21713	6.9
425.23294	15.1
426.23627	1.6
429.22690	50.6
430.23096	5.2
441.22913	3.0
443.24292	86.5
444.24380	6.7
469.25980	2.7
479.27609	1.9
497.29068	4.7
517.25800	3.5
533.25513	2.2
543.29645	2.1
559.29797	1.7
577.31812	1.4
605.31281	2.1
609.33911	4.3
619.35638	2.2
643.35980	5.6
644.36456	1.4
661.37317	100.0
662.37402	16.5
679.47784	15.0
680.47333	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3836
Annotation	Myrtucommulone G
Peak:m/z	Relative Intensity
52.32149	1.7
53.03947	2.0
54.78144	1.5
55.05496	3.7
55.28788	1.6
67.05505	3.7
69.07063	4.4
69.12297	11.3
69.12715	3.6
77.49966	1.5
79.05491	3.6
81.07044	10.0
89.03910	6.4
91.05489	6.3
93.07047	8.1
95.08611	10.9
97.06537	1.8
97.10150	2.0
100.11224	3.3
105.07037	15.3
107.08563	11.8
109.10159	4.3
111.08119	2.2
117.03371	11.0
119.08562	20.2
121.10118	8.6
123.11682	2.1
130.07878	1.5
131.08589	5.7
133.10124	10.8
135.08047	2.1
135.11696	3.9
137.09709	2.0
139.07590	1.8
141.00026	2.0
143.08589	4.2
145.02831	34.1
145.10133	7.7
147.08102	3.2
147.11690	7.3
149.05966	4.9
149.09685	2.0
155.08577	3.0
156.09238	2.0
157.10123	4.2
159.11665	10.9
161.09561	2.2
161.13255	4.5
163.14813	3.5
171.11714	4.1
173.13297	11.9
175.14822	11.1
177.05463	66.9
185.13252	6.6
187.14835	6.7
189.12709	3.4
189.16357	17.9
191.14256	2.1
197.13313	2.1
199.14821	7.2
201.12885	2.3
201.16367	3.3
203.14246	3.0
209.16483	2.2
210.14703	1.9
211.14946	2.3
215.14304	3.6
217.15862	6.5
227.17926	3.2
231.13873	3.9
233.15202	2.8
235.17085	2.7
239.18082	2.1
253.19708	2.0
304.40665	1.7
317.22775	1.9
403.29822	3.3
421.30942	8.1
437.29785	2.0
439.31958	12.4
449.30383	6.5
467.31570	32.7
468.31720	4.2
485.32599	100.0
486.32907	10.1
521.09760	1.9
679.36279	9.8
694.38348	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	679.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94598	1.5
53.03942	1.9
55.05284	2.0
55.05511	21.5
55.50995	2.0
57.02307	1.6
57.03432	7.2
57.07071	11.3
57.94201	1.8
61.02923	12.9
62.30550	1.7
64.96066	1.6
66.72472	1.8
67.05502	85.9
69.03425	5.0
69.07069	27.3
71.08625	7.8
73.02918	3.8
79.05498	22.9
81.03442	2.0
81.07051	100.0
82.07391	1.9
83.04983	2.7
83.08613	23.8
83.72595	1.6
85.02898	22.2
85.06516	5.2
85.10167	3.1
88.07623	3.1
91.03956	15.6
91.05489	18.0
93.07038	27.0
95.08602	84.4
96.08937	3.9
97.02905	10.4
97.06509	7.1
97.10168	17.5
99.08084	4.6
102.09141	2.0
103.16277	1.9
105.07024	16.5
107.08588	20.4
109.06445	2.9
109.10152	46.3
111.08093	4.2
111.11703	2.4
113.09638	2.3
119.08585	15.0
121.10136	26.1
123.08105	2.8
123.11708	19.1
125.09619	3.7
127.03899	5.5
131.08521	2.3
133.10124	18.2
135.11708	11.9
137.09659	1.8
137.13263	10.7
139.11037	1.6
141.12634	2.1
145.02829	5.6
145.04968	5.5
145.10068	2.6
147.04399	2.2
147.11702	14.4
149.02280	2.1
149.09668	1.8
149.13249	10.7
151.11195	2.4
151.14804	6.1
153.12823	2.5
155.14278	5.8
159.11710	2.2
161.13286	14.4
163.03975	1.8
163.06055	10.5
163.14825	13.2
165.16397	12.1
169.51973	2.1
175.14828	11.5
177.05469	9.2
179.14281	2.0
179.18013	6.2
189.16344	3.5
193.04742	2.0
203.17987	2.9
217.19469	3.1
245.22641	61.1
246.22989	5.1
256.26343	5.7
257.26645	2.3
263.23691	72.4
264.24011	7.7
337.27344	54.1
338.27789	5.0
355.28369	6.3
421.30994	2.0
467.31522	2.7
470.19028	5.5
499.32886	2.5
526.33972	2.0
679.39874	19.4
679.54547	4.5
680.40674	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	681.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66296	0.4
54.38501	0.5
55.05509	0.6
61.51871	0.5
67.05506	1.1
71.31971	0.6
71.32325	0.6
73.63594	0.6
79.05497	0.6
81.07059	0.8
86.09689	0.6
91.05498	1.0
93.07064	1.5
95.08614	0.9
105.07049	1.6
107.08616	1.2
117.03368	0.5
119.08607	0.6
121.10215	0.7
125.15146	0.6
131.08527	0.5
133.10175	0.8
137.06018	0.5
145.02901	1.0
151.03932	0.8
153.05473	0.5
163.05560	0.5
177.05421	2.3
187.14799	0.7
284.71649	0.5
469.18472	1.4
487.18265	1.0
681.32410	100.0
681.41846	3.5
682.32733	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	681.324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.1
67.05504	2.5
69.03442	0.5
69.07063	2.4
71.31730	0.9
78.59780	0.5
79.05476	2.8
81.07040	4.4
83.04953	0.5
83.08601	1.1
85.06516	0.6
89.03898	2.8
91.05480	2.9
93.07044	4.7
95.04951	1.2
95.08606	5.8
96.09019	0.6
105.07032	5.4
107.08602	6.6
109.06544	1.0
109.10154	3.0
111.08080	0.9
117.03377	7.0
117.06990	1.1
119.08569	8.2
119.74414	0.5
121.10130	4.1
123.08075	0.9
123.11692	1.4
129.07004	1.1
131.08563	4.6
133.10123	5.4
134.03676	0.7
135.04407	0.8
135.11728	1.8
138.73817	0.5
142.07826	0.9
143.08595	2.6
145.02844	16.9
145.10123	4.7
146.03087	0.7
147.11687	3.3
149.06007	2.2
149.09656	1.7
149.13271	1.6
151.03860	2.7
151.11157	0.7
157.10075	2.6
159.11699	3.6
161.13252	2.6
163.03976	0.7
163.14824	1.7
165.05556	0.8
167.10707	1.2
169.10059	0.6
171.11699	2.3
173.13272	3.4
175.14845	2.2
177.05463	33.0
177.16362	1.5
178.05832	1.5
185.13271	1.3
187.14778	3.8
189.16342	4.3
191.14343	1.2
191.17917	0.7
195.06532	2.6
197.13300	0.7
199.14769	3.0
201.16420	2.2
203.17966	2.1
204.18135	0.6
213.16386	5.9
214.16879	0.7
215.14381	1.0
215.18004	1.9
217.15892	2.4
217.19533	0.6
225.16196	0.6
227.18002	0.6
231.17488	0.6
235.17030	1.2
241.19510	1.5
257.22568	1.2
259.16968	1.5
259.20227	0.7
267.21082	2.6
283.72226	0.6
332.29068	0.6
347.27130	0.7
387.30469	0.7
405.31482	2.5
423.32874	1.2
433.31293	1.2
451.32321	1.6
453.33716	0.6
469.18338	2.1
469.33130	7.9
511.16232	0.6
681.32336	100.0
681.42969	6.9
682.32733	16.2
682.43457	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
55.01871	0.4
55.05507	1.1
57.03423	1.4
61.02922	4.3
62.80976	0.3
67.05502	3.2
69.03436	2.4
69.07057	1.3
69.18246	0.5
69.18650	1.7
71.01320	0.4
71.04987	0.5
73.02905	2.6
79.05495	2.2
81.03411	3.4
81.07048	4.1
83.01353	0.3
83.04977	1.1
83.08614	1.4
85.02901	4.9
91.03943	2.7
91.05482	2.5
93.07029	3.3
94.96040	0.3
95.04970	1.0
95.08621	1.2
97.02895	3.2
97.06538	0.4
98.23419	0.3
99.04479	0.6
101.02360	1.7
103.03957	0.3
105.07028	1.4
107.04955	0.3
107.08602	1.8
109.02867	0.7
109.06497	0.4
109.10165	0.4
111.08109	0.5
117.07022	0.3
119.08576	1.1
121.10176	1.2
123.08139	0.3
126.67921	0.3
127.03922	1.2
129.07008	0.6
131.08582	1.0
133.10141	1.2
135.11655	0.4
145.02869	0.7
147.11702	0.9
149.09644	0.3
149.13225	1.3
157.10168	0.8
159.11732	0.5
162.24709	0.3
174.45398	0.3
175.11237	0.4
177.05443	0.7
183.06732	0.3
185.04362	0.5
193.12210	1.3
203.05338	0.5
235.13118	0.9
243.08385	2.2
251.12624	0.9
273.02164	0.3
281.46942	0.3
291.15894	0.4
307.15231	0.4
453.20920	6.1
454.21307	0.5
469.20398	7.9
470.20795	0.7
494.52475	0.3
681.34479	100.0
682.34839	16.0
682.46600	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.7
55.05508	0.9
57.03432	1.4
61.02925	4.4
64.86009	0.4
67.05508	3.1
69.03428	2.5
69.07076	1.2
69.21701	2.3
71.04995	0.9
73.02914	2.9
79.05492	2.7
81.03419	3.3
81.07061	4.9
83.04987	0.9
83.08624	1.5
85.02902	5.8
87.04449	0.4
91.03961	2.5
91.05465	2.4
93.07056	2.9
95.04990	1.2
95.08617	1.0
97.02894	3.5
97.06534	0.7
99.04442	0.8
101.02388	1.8
103.03979	0.5
105.07052	1.4
107.08590	2.0
109.02892	0.8
109.10186	0.5
111.08111	0.6
113.05959	0.4
115.03959	0.7
117.07018	0.4
119.08600	1.5
121.10157	1.2
127.03938	1.2
127.62125	0.4
129.07008	0.5
131.08586	0.9
133.10149	1.5
135.11732	0.4
147.11667	0.5
149.13306	1.0
157.10156	0.7
159.11678	0.8
162.50085	0.4
175.11206	0.6
175.14441	0.4
185.04280	0.3
193.12308	0.6
195.13855	0.7
211.13278	0.5
235.13031	0.8
243.08434	2.0
251.12724	1.1
269.17389	0.6
307.15219	0.5
331.33664	0.4
447.51306	0.4
453.21048	6.8
453.26984	0.6
454.21378	0.7
461.82611	0.3
462.67426	0.3
469.20490	5.9
470.21136	0.5
614.60010	0.4
616.09589	0.4
681.34528	100.0
682.34863	14.2
682.46680	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.05503	2.9
57.07055	1.1
63.02392	0.9
65.03935	1.0
67.05500	5.3
69.03429	0.6
69.07059	5.2
71.33270	0.9
71.33692	0.7
72.17352	0.6
79.05492	5.6
81.07053	11.6
83.04982	0.9
83.08600	1.9
85.06541	2.0
89.03919	9.1
91.05482	8.0
93.07039	15.3
95.04932	1.4
95.08602	14.8
97.06534	1.3
97.10163	1.5
101.41306	0.6
103.05461	1.0
105.07014	15.0
106.04215	1.0
107.07897	1.2
107.08588	15.2
109.06499	3.0
109.10152	8.8
111.08055	1.0
115.05425	0.8
117.03374	22.6
117.07021	2.6
119.04928	0.9
119.07728	1.2
119.08578	22.7
121.06514	1.4
121.10143	13.1
123.08047	2.6
123.11684	2.5
125.09608	1.1
129.06981	1.3
131.08559	11.7
133.10112	16.8
134.03607	2.2
135.04407	2.3
135.08029	2.5
135.11722	5.3
137.09644	1.8
141.06931	0.9
142.07767	1.9
143.08559	4.4
144.09352	0.6
145.02838	54.5
145.10120	14.1
146.03192	2.2
147.04417	2.4
147.08061	0.8
147.11687	11.3
149.05974	8.1
149.09641	4.6
149.13226	3.8
151.11124	1.2
153.09116	1.5
155.08528	1.1
156.09332	1.6
157.10127	9.8
158.10744	0.9
159.11673	13.4
161.09602	2.1
161.13249	8.1
163.03886	2.6
163.11142	0.9
163.14827	3.7
167.10672	1.5
169.10138	2.1
170.10956	1.6
171.11690	7.0
172.12285	1.2
173.13246	10.7
175.11217	1.5
175.14821	7.4
177.05461	100.0
177.12706	1.5
177.16347	3.5
178.05754	4.1
179.10681	0.8
182.10796	0.8
183.11681	2.3
184.12383	1.2
185.13280	5.0
186.05467	1.4
187.14804	14.5
189.12744	1.3
189.16362	17.4
191.14291	2.0
191.18021	1.3
195.06506	6.1
195.11719	1.2
197.13208	4.0
199.14796	9.4
201.12785	0.7
201.16370	13.2
202.16638	0.7
203.14243	1.6
203.17923	6.9
205.15868	1.3
207.17398	0.7
209.13316	0.9
211.14838	1.6
213.16333	6.8
215.14294	2.6
215.17953	8.7
217.15851	6.6
217.19307	1.0
219.13672	0.7
221.15359	1.4
225.16275	1.5
227.17940	1.9
229.15898	1.5
229.19452	1.5
231.17433	2.0
235.16876	5.9
239.17938	1.0
241.19557	4.1
243.21053	2.0
247.16936	3.2
253.19420	2.3
255.21082	1.2
257.22571	3.0
259.20569	3.7
261.18530	2.7
267.21054	2.5
269.22647	0.9
273.18515	0.7
303.23080	2.1
307.24634	0.6
349.28693	0.8
377.31873	1.0
387.30408	2.7
393.27521	1.5
405.26767	0.9
405.31561	9.8
406.31769	1.3
421.30942	2.2
423.32660	5.7
433.30981	4.1
449.30392	0.8
451.32117	8.5
453.33716	1.7
469.33063	19.6
470.33286	2.9
681.41595	6.7
682.41345	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.8
55.01860	2.3
55.05510	9.2
57.03453	1.0
57.07072	6.3
59.04993	4.2
62.87078	0.9
65.03930	1.5
65.14848	1.2
67.05495	15.1
68.99796	1.6
69.03429	6.9
69.07067	14.8
69.76407	1.8
69.76810	3.6
71.04985	5.1
75.13348	0.9
76.15774	1.0
77.03938	1.4
79.05492	13.3
81.07056	23.7
83.01376	1.1
83.04987	3.2
83.08604	5.7
83.43304	1.1
84.58047	1.1
85.06548	2.9
91.05476	26.7
92.05789	1.2
93.07042	24.0
95.04965	6.6
95.08601	28.6
97.06515	8.1
99.04433	1.0
103.05444	2.2
105.07025	56.2
106.07326	1.1
107.04977	1.3
107.08589	33.7
109.06515	9.6
109.10155	13.4
111.08102	2.4
111.11725	1.0
113.05978	5.9
115.05461	2.3
116.06236	1.2
116.98803	1.0
117.07029	8.4
119.04910	1.4
119.06016	1.1
119.08573	46.4
120.08868	1.5
121.06504	14.7
121.10142	24.9
122.10925	1.5
123.04420	1.4
123.08064	10.1
123.11707	8.5
125.05986	1.4
125.09658	1.8
127.11160	1.1
128.06236	4.4
129.07001	10.5
131.08563	19.5
132.08955	1.0
133.06476	3.0
133.10126	35.4
134.10455	1.1
135.04475	0.9
135.08034	10.6
135.11684	5.8
137.05980	3.7
137.09618	10.1
139.11166	5.0
141.05475	2.4
141.07008	1.7
142.07784	13.5
143.08565	14.0
144.09299	3.4
145.06474	2.7
145.10120	15.2
146.07306	3.6
146.10724	0.9
147.08029	12.6
147.11667	25.4
149.09615	7.5
149.13281	2.9
150.10373	1.2
151.07570	1.9
151.11166	1.5
153.05472	7.8
155.08582	1.6
156.09352	3.2
157.10117	33.0
158.10600	1.7
159.08073	2.5
159.11685	16.1
160.08859	3.9
161.09616	29.4
161.13206	8.9
163.07576	4.2
163.11201	2.3
165.09084	6.9
167.07127	1.1
167.10695	3.6
169.10115	1.8
171.11653	6.0
173.09627	1.5
173.13210	5.1
174.10428	1.2
175.07597	3.8
175.11182	28.8
175.14786	5.9
176.11536	1.8
177.09120	2.4
177.12787	4.2
177.41118	1.2
179.07068	1.1
181.05023	3.1
183.11719	1.0
184.12459	2.3
185.13223	2.8
187.14790	1.7
189.09088	2.8
189.12741	2.3
189.16383	27.2
190.16859	2.4
191.07088	6.5
191.14369	2.4
192.07883	1.2
193.08607	15.8
193.12215	1.4
199.11185	1.2
199.14803	30.1
200.15331	3.1
201.12668	1.2
201.16397	2.0
203.14288	3.7
203.17966	3.5
205.08577	7.6
205.15898	2.4
207.10098	2.2
207.13722	1.5
209.08147	3.1
209.15363	2.1
211.09631	24.5
217.08600	1.8
217.15857	74.6
218.16405	5.1
219.10187	2.1
219.13776	1.5
220.88481	1.1
221.15425	1.8
223.09639	2.9
225.16336	1.6
233.08127	2.0
233.11583	1.3
235.09679	1.5
235.13243	5.2
235.16907	4.0
237.14839	11.5
241.12120	1.4
243.10155	2.2
243.13597	1.2
245.11714	1.4
245.18970	1.0
247.09944	1.0
247.13330	3.1
251.09167	3.8
255.17412	2.2
257.11636	1.4
259.13303	1.7
261.11310	3.7
265.14505	2.1
271.13281	1.1
273.18484	1.3
276.84378	1.0
287.12708	2.1
315.12311	2.1
325.17960	1.1
339.19348	2.2
355.19284	1.4
357.20657	2.3
385.16446	1.2
391.22699	2.5
409.23883	5.6
417.18851	1.4
425.22891	1.2
427.24844	28.1
428.24982	3.4
429.22601	8.9
430.22906	2.9
443.24182	2.6
444.24826	1.5
445.26447	5.5
447.23492	1.4
463.28632	2.0
469.22128	2.4
481.29669	10.4
482.29941	1.4
487.23276	6.6
499.30692	1.7
527.27051	1.3
575.33490	1.7
593.34528	3.8
605.33911	1.9
627.36151	1.8
645.38025	11.1
646.38092	2.2
663.38824	100.0
664.39246	19.3
681.39832	30.0
682.40625	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	681.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.8
54.03992	1.1
55.05509	9.1
57.07069	5.0
59.04999	3.1
65.03946	3.2
67.05505	14.5
69.03432	7.9
69.03751	1.4
69.07063	15.3
69.08868	11.1
71.04979	5.7
73.78584	1.3
76.02728	1.1
79.05491	12.6
81.07056	25.8
83.04971	4.2
83.08635	5.5
85.06531	2.3
91.05473	20.2
93.07050	24.8
94.07380	1.4
95.04985	6.8
95.08602	27.9
97.06518	8.4
99.04488	1.5
103.05444	2.2
104.82287	1.0
104.91275	1.1
105.07025	44.3
107.04929	3.0
107.08592	31.7
109.06505	9.8
109.10141	15.2
111.08103	2.1
113.05999	5.7
115.05470	2.0
117.07010	6.8
119.08573	38.0
120.08852	1.5
121.06490	14.6
121.10146	23.7
123.08076	13.0
123.11697	8.4
125.06003	1.7
125.09596	1.5
128.06259	3.0
129.06979	7.2
131.08557	11.3
133.06491	3.1
133.10130	31.8
135.08047	9.0
135.11673	7.5
136.08859	2.2
137.05994	2.4
137.09610	29.4
137.13246	1.7
138.09956	1.8
139.03918	1.4
139.11163	6.2
141.05478	2.7
141.06979	2.0
142.07765	10.9
143.08560	11.9
144.09285	2.5
145.06459	2.2
145.10127	13.4
146.07266	2.2
147.08049	15.1
147.11681	22.4
149.05978	9.6
149.09601	10.0
149.13246	4.0
150.10329	1.3
151.11169	2.5
153.05431	6.4
153.09058	1.2
155.08565	1.9
156.09329	3.5
157.10126	23.6
158.10626	1.6
159.08040	3.0
159.11705	15.4
160.08847	3.1
161.09622	23.8
161.13251	9.3
162.10190	1.5
163.07536	4.5
163.11185	3.2
163.14888	1.3
165.09100	8.1
165.12689	1.2
167.10645	2.8
169.10104	1.9
170.10977	1.3
171.11707	6.6
173.09651	3.8
173.13226	3.8
175.07553	4.7
175.11192	21.6
175.14775	5.9
177.05519	2.7
177.09070	3.8
177.12785	4.7
179.07001	1.6
179.10689	2.0
179.14336	3.2
181.08646	2.2
184.12474	2.4
185.13196	3.3
187.07542	1.4
187.11142	1.8
189.09122	2.8
189.12767	4.2
189.16371	18.2
190.16638	1.6
191.07014	9.1
191.10719	1.2
191.14307	3.6
193.08601	15.4
193.12271	3.7
197.09715	2.0
197.13135	1.3
199.14799	15.8
200.15366	1.6
201.09138	2.9
201.16341	3.3
203.10738	2.3
203.14357	3.9
205.08618	4.6
205.15903	2.6
207.13748	1.7
209.08084	1.6
209.15341	2.7
211.09642	21.6
213.09143	1.3
215.10661	2.3
217.12457	2.5
217.15865	50.1
218.16423	4.1
219.10133	2.4
219.13820	3.6
223.09637	3.4
227.18077	1.5
231.10120	2.8
235.13287	15.0
235.16939	7.0
237.14816	10.8
243.10144	7.2
245.11659	2.9
245.18921	1.4
247.13255	1.5
249.11244	1.9
249.14833	1.7
251.09070	1.3
259.13290	1.4
261.11197	7.3
265.14355	2.3
269.19104	1.5
275.12726	2.4
283.13376	1.6
287.12921	1.5
291.12155	1.4
297.11429	1.6
299.16190	1.7
315.12006	1.5
315.15918	1.6
315.19495	2.9
321.18399	1.9
339.19598	3.5
357.20651	3.1
385.23459	1.6
391.22699	2.3
399.25223	1.4
409.19843	1.1
409.23846	13.4
411.25186	1.4
419.18539	1.3
426.23337	1.3
427.24905	20.5
429.22748	6.0
431.23859	1.9
443.24704	1.2
444.24564	1.6
445.25644	5.0
447.23209	1.4
463.28366	2.2
469.21915	1.4
479.24304	2.6
481.29330	9.5
485.25296	3.2
487.23044	5.2
499.30417	1.8
527.26190	2.7
557.32184	1.5
575.33636	3.2
621.37659	4.4
627.36609	4.8
628.37830	1.8
645.37769	28.0
646.38220	6.5
663.38843	100.0
664.39374	14.1
681.39856	27.1
682.39740	4.7
713.81421	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73901	2.4
53.03949	2.2
55.05495	4.9
57.07071	3.8
58.03521	1.9
67.05522	11.5
67.29266	2.0
69.03297	21.6
69.07064	12.7
71.04993	6.5
76.37110	2.3
79.05494	8.5
81.07057	22.2
83.08591	2.6
91.05489	10.1
93.07047	13.3
93.07545	2.1
95.04969	4.4
95.08605	18.4
97.06503	4.3
105.07053	20.2
107.04966	4.5
107.08617	17.5
109.06532	7.0
109.10149	13.5
113.06002	5.0
117.07022	4.9
119.08599	17.9
121.06508	7.2
121.10181	14.6
123.08072	6.5
123.11689	7.1
129.07045	3.7
131.08574	9.7
133.06487	5.5
133.10178	11.7
135.08063	6.5
135.11720	6.2
137.06010	4.8
137.09633	29.9
137.13300	3.5
139.11169	4.9
141.05405	2.3
143.08589	5.8
145.10109	5.2
147.08063	8.5
147.11722	12.9
149.06013	13.5
149.09660	8.7
151.07591	2.9
151.11270	2.7
153.05475	2.6
157.10153	8.0
159.08083	3.8
159.11655	8.4
161.09647	36.5
161.13281	6.3
165.09109	6.9
173.09602	3.2
173.13301	2.5
175.07642	5.3
175.11179	21.9
175.14885	3.1
177.05461	5.9
177.09137	4.2
177.12683	2.7
179.06984	2.7
179.14275	3.9
185.13324	2.9
189.12695	3.3
191.07021	10.8
191.14333	3.7
193.08630	8.8
193.12222	4.1
199.14745	3.7
201.09149	3.5
201.16501	2.5
203.07071	3.5
203.14404	6.0
203.17801	2.5
204.18211	3.0
205.08594	4.1
207.13780	3.8
209.08157	3.3
211.09653	20.8
212.10022	2.8
217.12384	3.0
217.15871	26.6
218.16560	5.1
219.10213	4.7
219.13762	3.2
222.93835	2.4
225.11130	3.3
231.10194	2.5
233.11760	4.6
235.13289	23.4
235.16924	7.0
237.14821	13.3
243.10187	9.4
243.17393	3.1
245.11772	5.6
249.11275	4.7
261.11166	29.7
269.11765	2.9
273.11166	3.7
291.12213	4.4
315.19528	2.7
353.17551	2.7
357.20718	4.4
359.18454	2.3
391.22662	7.1
392.22443	2.5
409.23767	15.8
427.24704	16.6
428.25043	2.9
429.22714	21.6
440.20773	2.6
445.25970	5.2
479.24460	4.3
485.24982	3.7
527.26062	3.3
557.32410	3.8
575.34045	2.5
589.31726	2.6
608.38794	4.0
621.37543	2.3
627.36749	13.1
645.28387	3.4
645.37915	52.1
646.38220	13.0
663.38910	100.0
664.38861	16.4
681.40088	48.2
682.40521	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	681.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.3
55.01859	3.0
55.05510	6.7
57.07075	7.3
59.05001	1.8
67.05508	7.9
69.03412	3.5
69.07069	13.6
69.84994	2.0
70.56582	3.5
70.56951	3.6
71.04987	7.6
79.05475	9.5
81.07060	16.0
83.04998	4.1
83.08613	4.2
89.06042	3.1
91.05469	14.7
93.07052	11.2
95.04971	3.1
95.08604	17.3
97.06533	5.1
97.10117	2.2
105.07033	25.0
107.04970	7.9
107.08601	19.3
109.06522	7.9
109.10155	7.7
111.03413	1.8
111.08095	2.6
113.06027	3.9
117.07066	3.5
118.05871	2.0
119.08576	25.5
121.06522	10.8
121.10119	12.7
123.08087	7.2
123.11693	9.2
124.26689	2.1
125.09598	2.2
128.06238	2.8
129.07004	4.7
131.08571	11.4
133.06496	6.7
133.08623	3.5
133.10130	17.9
135.08089	6.2
135.11694	7.8
135.62285	1.8
137.06004	5.8
137.09616	39.1
137.13216	2.5
139.03949	2.1
139.11180	4.4
142.07851	3.2
143.08591	5.1
145.06493	2.1
145.10085	4.2
147.08058	11.1
147.11678	9.2
149.05983	11.6
149.09628	6.0
149.13246	2.8
151.11169	4.5
157.10175	8.8
159.08046	4.6
159.11697	6.7
160.08769	2.2
161.09624	43.7
161.13269	6.5
163.07498	3.2
165.09122	7.3
165.12799	2.1
171.11732	2.6
173.09575	2.2
173.13274	5.0
175.07565	5.2
175.11186	26.4
175.14857	6.1
177.09103	3.0
177.11362	2.5
177.12827	5.5
178.09399	2.4
179.07072	2.0
179.10660	2.6
179.14288	5.1
187.11200	4.6
189.09239	2.7
189.16364	2.1
191.07083	10.5
191.10683	2.2
191.14383	3.2
193.08504	8.8
193.12274	7.0
195.13853	6.1
199.14835	7.1
201.09091	4.4
201.12793	2.1
201.16360	3.2
203.14313	5.4
205.08588	6.7
207.10222	3.8
209.15376	2.5
211.09584	17.6
215.10677	2.8
217.12329	4.0
217.15869	44.1
218.16464	6.4
219.10179	4.6
219.13614	2.4
223.09618	3.4
227.10710	2.3
235.13286	23.4
235.16902	12.0
237.14870	10.2
241.12234	2.9
243.10098	6.2
243.13950	2.9
243.17421	2.4
245.11736	5.1
249.11374	2.7
257.11722	2.7
261.11209	13.4
265.14102	2.0
269.19141	1.9
283.13391	3.3
287.66385	1.9
291.12143	4.3
297.18631	3.2
301.14362	2.9
315.15964	2.4
315.19666	2.4
339.19543	5.8
357.20602	3.6
375.21399	2.2
377.40875	2.0
391.22693	10.5
409.23846	17.5
424.96661	1.9
427.24847	10.7
429.22723	28.8
430.23004	4.7
431.24380	5.9
445.25983	8.8
447.23346	4.6
479.23993	3.7
481.29367	3.6
485.25409	5.0
487.23581	3.3
488.87738	2.1
575.33545	4.0
627.37048	12.6
645.37891	66.4
646.38336	10.0
663.38904	100.0
664.39471	14.8
678.31323	2.1
681.40131	27.3
682.39758	4.1
699.85870	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	681.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17165	1.4
53.03949	2.8
54.59709	1.2
55.05512	6.8
57.07075	3.7
59.04993	2.4
65.03936	1.2
67.05502	9.0
67.98161	1.1
69.03425	2.8
69.07068	9.1
69.15967	4.7
69.16401	6.0
71.04990	5.0
77.03938	1.6
79.05472	10.1
81.07060	18.4
83.04989	2.9
83.08608	3.4
83.40888	1.2
85.06547	2.3
86.32310	1.2
86.98875	1.2
91.05479	16.4
93.06503	2.2
93.07042	17.6
95.04955	5.2
95.08617	15.4
97.06518	4.1
97.10184	1.4
98.23387	2.2
99.08064	1.3
105.04543	1.7
105.07029	35.1
107.04951	4.5
107.08613	13.3
109.06490	6.5
109.10121	8.3
111.08086	2.8
113.06012	5.6
115.05482	2.6
117.07001	6.6
119.04945	1.7
119.08581	30.7
121.06528	7.6
121.10152	15.9
123.04478	6.0
123.08076	8.8
123.11696	5.4
128.06245	3.8
129.07014	7.8
131.08562	19.3
133.06499	4.8
133.10126	20.5
135.04404	1.9
135.08073	6.8
135.11700	4.4
137.05981	4.8
137.09618	21.3
139.11203	5.7
141.05458	3.0
141.07039	2.1
142.07773	11.1
143.08568	13.8
144.09286	1.8
145.10124	14.8
147.08075	8.2
147.11685	20.3
149.05992	12.7
149.09616	7.8
149.13252	4.0
151.07594	1.7
151.11171	3.9
153.05469	9.5
155.08513	2.1
156.09326	2.1
157.10127	27.1
158.10605	2.9
159.08084	1.6
159.11696	15.2
161.09625	24.2
161.13280	7.4
163.07576	3.5
163.11172	3.6
165.09116	10.2
165.12723	1.8
167.10712	2.8
169.10097	2.4
170.10880	1.9
171.08128	1.4
171.11707	5.0
173.09529	2.1
173.13281	5.9
175.07547	4.0
175.11186	25.9
175.14857	3.9
177.09233	3.1
177.12746	4.8
179.10686	1.9
179.14348	7.5
185.13248	2.5
187.11172	2.6
187.14844	1.6
189.09131	3.3
189.12727	3.2
189.16380	9.1
191.07048	10.4
191.14351	1.5
193.08580	17.5
193.12271	4.3
198.13504	1.3
199.14813	33.5
200.15269	1.4
201.09116	1.7
201.12718	1.9
201.16389	5.9
203.10652	1.4
203.14334	3.9
205.08562	8.6
207.10046	2.6
207.13774	2.3
209.08018	2.5
209.13310	1.3
209.15390	2.0
211.09665	31.8
212.09935	2.1
215.10744	1.8
217.08775	1.7
217.15875	82.8
218.16348	7.0
219.06508	1.6
219.10121	5.9
219.13797	3.4
223.09518	3.2
227.10741	1.8
229.08681	2.1
231.10034	2.1
231.13760	1.4
235.13274	37.9
235.16711	7.1
236.13702	2.6
237.14821	13.8
243.10229	5.7
243.17574	1.8
245.11792	2.7
247.13293	2.9
249.11163	3.1
249.15025	1.8
259.13345	2.0
261.11179	16.0
262.11438	1.5
265.14328	2.0
269.18719	1.2
271.13080	1.5
273.18597	1.4
275.12875	1.6
287.16498	1.3
294.58975	1.4
297.18356	2.9
303.16159	1.6
315.12195	1.3
315.15894	1.9
315.19476	3.1
339.19525	3.2
339.23410	1.5
353.17532	1.9
357.20551	4.2
367.19156	1.6
391.22702	5.7
409.23834	14.4
427.24918	22.6
428.25372	3.0
429.22736	14.6
430.22955	1.6
445.26486	2.5
447.23938	3.5
463.28113	1.5
479.24420	2.5
481.29581	10.1
485.25162	2.7
497.25229	2.5
499.30533	3.1
575.33435	2.6
593.34521	5.9
612.79883	1.4
621.37488	3.3
627.37006	6.9
645.37823	34.9
646.37854	5.7
663.38885	100.0
664.39233	16.7
681.39777	15.4
682.39685	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.5
55.05505	9.3
57.03445	3.1
57.07079	4.5
57.32167	2.4
59.04988	2.4
59.08884	2.3
59.37341	2.4
67.05510	17.4
69.03432	3.8
69.07066	20.1
71.04993	9.5
71.30770	2.2
71.31165	2.3
77.34716	2.5
78.83838	2.3
79.05489	10.8
81.03398	2.9
81.07050	35.3
81.26549	2.3
81.91741	2.4
83.01336	2.8
83.04978	5.7
83.08606	9.6
85.06498	3.4
91.05476	18.8
93.07050	21.8
95.04977	6.8
95.08612	29.7
97.06517	5.1
97.10148	4.8
105.07016	29.8
105.61298	2.4
107.04960	12.5
107.08590	22.4
109.06532	10.1
109.10131	14.0
113.06004	7.5
117.07033	6.0
119.08585	26.9
121.06498	16.3
121.10150	21.2
123.04431	5.2
123.08075	14.5
123.11739	13.3
128.06210	3.6
129.06984	5.7
131.08582	13.0
131.09439	2.7
133.06444	10.2
133.10126	20.8
135.08032	9.9
135.11708	7.5
137.06006	6.3
137.09615	55.4
137.13235	5.7
139.11174	4.1
141.05482	6.0
141.06966	3.3
142.07744	5.6
143.08556	13.6
145.10121	13.4
146.07283	5.7
147.08044	18.2
147.11719	18.8
149.05984	15.5
149.09637	8.6
149.13213	6.6
151.07529	3.2
151.11200	7.3
153.05467	3.6
155.08543	2.5
157.10066	13.2
158.10841	2.9
159.08041	4.7
159.11664	11.1
161.05948	3.9
161.09621	74.6
161.13252	12.8
162.09979	4.4
163.07504	3.9
163.11162	3.3
165.09090	10.0
165.12659	2.4
167.10750	3.0
171.11719	3.5
173.09653	6.0
173.13263	6.8
175.07495	4.5
175.11177	23.1
175.14836	6.8
177.09093	7.4
177.12750	4.3
179.10706	3.6
179.14293	7.0
185.13281	2.8
189.12679	2.8
189.16425	4.8
191.07094	14.3
191.14297	5.0
193.08597	19.8
193.12296	8.7
195.10112	3.3
199.14830	9.3
201.09047	4.4
203.10620	2.5
203.14352	5.0
205.08492	3.0
207.10298	4.0
209.15356	2.6
211.09628	51.4
212.10045	2.8
213.09103	2.4
213.12770	2.9
215.10498	3.1
215.14357	2.5
217.12259	3.5
217.15866	48.7
218.16566	5.5
219.10214	10.6
219.13751	6.1
223.09547	3.5
227.10611	2.4
229.12202	3.3
231.10132	2.9
235.13284	34.8
235.16847	12.7
237.14838	16.8
243.10158	9.7
243.17383	2.7
245.11839	3.3
245.19038	2.8
247.13403	4.4
249.11324	3.5
249.14893	6.0
259.13083	2.9
261.11169	20.5
265.14505	3.3
273.18817	2.8
275.12802	3.0
315.19437	6.1
339.19437	7.8
339.23248	2.6
353.17703	4.2
356.76917	2.5
357.20477	3.0
359.18243	2.8
391.22787	12.0
409.23953	17.7
427.25311	12.9
429.22751	33.8
430.23206	5.4
443.24268	6.3
447.23853	5.0
467.23950	3.1
485.25183	3.0
557.32343	3.5
575.33344	4.5
593.34613	3.9
621.37360	4.7
627.36481	10.4
628.36859	3.0
645.37787	63.1
646.38202	14.6
663.38934	100.0
664.39178	20.3
681.40009	71.6
682.40106	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	681.399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00290	0.5
53.03934	0.9
55.05515	3.3
57.07062	0.9
65.03918	1.1
67.05502	5.0
69.03416	1.4
69.07057	4.4
69.26704	0.7
69.27105	3.4
78.04711	0.8
79.05489	5.3
81.07052	10.5
83.04950	1.3
83.08616	2.2
85.06558	2.5
89.03908	10.3
91.05471	8.5
93.07040	13.3
95.04964	2.0
95.08597	13.9
97.06526	1.7
97.10168	0.9
103.05429	0.6
105.07020	14.8
107.08588	15.7
109.06509	2.0
109.10152	8.6
109.45808	0.5
111.08050	0.8
115.05399	0.7
117.03371	23.0
117.07037	2.6
118.03691	0.5
119.04901	0.8
119.07739	1.2
119.08578	24.2
120.08906	1.0
121.06496	0.9
121.10140	13.9
122.10440	0.8
123.08060	2.8
123.11678	2.8
123.20567	0.5
125.05979	0.9
128.06209	0.7
129.07001	1.9
131.08571	9.0
131.09482	1.0
133.10118	18.8
134.03607	2.4
134.10443	0.8
135.04387	1.9
135.08052	1.0
135.11667	4.9
137.05957	0.9
137.09627	1.9
139.07449	0.5
141.06969	0.6
142.07762	1.5
143.08548	4.9
144.09335	1.0
145.02841	53.6
145.10109	16.5
146.03189	2.1
146.10504	0.7
147.04344	0.6
147.08043	0.7
147.11674	9.8
149.05971	8.5
149.09628	3.8
149.13234	3.9
150.06253	0.9
151.03902	0.9
151.07527	1.0
153.05460	2.8
153.09122	1.2
155.08548	2.0
156.09344	2.2
157.10114	8.0
158.10823	1.6
159.08028	1.1
159.11687	13.0
160.12016	0.6
161.09572	1.1
161.13234	7.8
163.03928	1.8
163.14819	4.8
167.10689	2.3
168.76730	0.5
169.10114	2.8
170.10869	1.4
171.11676	7.0
172.12383	0.9
173.09702	0.5
173.13248	10.7
175.11162	1.5
175.14818	7.4
177.05463	100.0
177.12770	1.6
177.16336	3.5
178.05809	5.0
179.06975	0.6
179.10626	0.6
183.11658	2.1
184.12366	1.4
185.13216	5.4
186.05510	0.8
187.14812	15.4
189.12697	2.8
189.16379	15.6
190.16649	0.8
191.14328	2.2
191.17934	1.4
195.06509	8.1
195.11691	1.3
197.13292	3.7
199.14781	8.4
201.14810	0.4
201.16385	11.0
202.16743	1.3
203.14317	1.4
203.17929	5.3
205.15907	2.0
207.17488	0.8
209.13365	0.9
211.14824	1.8
213.16356	7.0
214.16818	0.6
215.14394	2.8
215.17896	9.6
217.15874	6.5
217.19441	0.7
219.17517	0.7
221.15344	1.8
223.14835	1.0
225.16400	1.5
227.17790	0.7
229.15889	1.1
229.19441	1.3
231.17447	1.3
233.08952	0.5
233.15392	1.3
235.14793	0.9
235.16884	5.9
237.16345	0.6
239.17986	1.8
241.19456	3.9
242.19804	0.7
243.21086	1.9
247.16820	3.0
249.18558	1.0
251.18007	0.6
253.19502	1.3
255.20985	1.1
257.19125	0.8
257.22626	3.3
259.16858	0.6
259.20514	3.4
261.18610	2.5
267.21002	1.6
269.22650	1.1
279.21136	0.9
287.20142	1.2
289.21512	0.7
301.21539	0.6
303.23105	1.9
347.27014	0.6
387.30362	2.2
389.32166	0.8
390.84079	0.5
393.27625	1.7
395.29214	0.9
405.31479	9.9
406.31769	1.5
407.33304	0.6
421.31168	1.1
423.32657	5.7
424.32706	1.0
433.31000	3.9
441.33603	0.9
451.31970	7.6
452.32346	1.0
469.33090	21.1
470.33459	3.3
681.43213	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	681.399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.3
55.05510	7.6
57.07069	2.7
67.05505	10.5
69.03419	4.5
69.07076	13.5
71.04996	5.5
71.30801	3.5
79.05489	10.8
81.03381	2.7
81.07055	26.7
83.04987	3.5
83.08620	6.0
85.06549	3.5
91.05479	13.7
93.07035	19.8
95.04949	5.1
95.08610	25.0
97.06537	13.4
97.10203	1.8
99.04438	1.7
105.07024	25.7
107.04938	8.5
107.08590	19.0
109.06504	8.5
109.10157	13.4
111.04451	2.0
113.06005	4.9
117.07015	5.9
119.08585	22.9
121.02920	1.9
121.06490	11.1
121.10132	17.3
123.08070	9.5
123.11701	10.9
125.06034	2.0
128.06294	2.3
129.07027	3.5
131.08545	10.9
133.06494	6.7
133.10121	17.4
135.04373	1.9
135.08052	8.3
135.11681	7.7
137.05975	5.6
137.09618	40.0
137.13232	3.3
139.11160	7.9
141.05461	2.7
142.07773	3.9
143.08621	9.1
145.06464	2.2
145.10121	10.3
147.08025	13.1
147.11700	14.0
149.05984	9.3
149.09616	6.3
149.13223	5.6
150.10367	2.3
151.07593	2.3
151.11180	6.9
153.05508	2.6
153.29890	1.9
157.10146	12.1
159.08104	2.7
159.11684	8.8
161.05946	2.2
161.09621	39.7
161.13260	8.2
162.10298	2.0
163.07550	3.0
163.11208	2.5
165.09055	8.7
165.12788	3.9
167.07050	2.2
167.10735	5.3
169.10062	3.0
171.11661	3.8
173.09616	4.4
173.13315	4.4
175.07498	5.1
175.11226	12.4
175.14865	4.0
177.09009	2.1
177.12750	6.7
179.10649	2.8
179.14302	9.7
185.09502	1.9
185.13159	2.8
187.11255	3.6
187.14836	2.3
189.09079	2.5
189.12721	2.5
189.16360	3.8
191.07028	15.3
191.14319	3.7
193.08611	12.3
193.12253	8.4
193.15884	7.2
199.14821	12.2
201.09099	4.4
201.12854	3.0
201.16367	3.0
203.14287	6.2
205.08618	2.6
207.10106	3.7
207.13794	4.3
209.08046	3.8
209.15359	5.1
211.09634	36.9
213.09120	3.6
215.10706	3.7
217.12326	3.6
217.15865	27.8
218.16580	3.6
219.10118	5.5
219.13875	2.4
221.15248	8.7
233.11574	2.2
235.11111	3.4
235.13322	29.9
235.15631	2.0
235.16913	7.6
237.14793	14.2
243.10072	8.8
243.17578	3.5
245.11639	3.7
249.11238	3.1
261.11194	19.1
273.11407	2.7
275.57669	2.2
279.17319	1.9
281.15567	2.1
297.14978	3.1
297.18326	3.9
315.16055	2.3
315.19543	2.8
339.19589	6.1
357.20782	3.5
367.15656	2.2
373.21176	2.6
391.22534	6.0
409.23956	13.3
415.33185	1.9
427.25320	9.0
429.22736	21.0
430.22867	2.8
445.26093	2.5
447.23712	5.9
467.91504	2.6
479.24374	2.4
481.29535	4.0
497.25027	6.2
499.30463	3.3
557.32410	3.3
575.33563	2.3
593.34509	3.2
603.36511	4.3
627.36835	10.3
645.37714	51.5
646.37561	7.4
663.38885	100.0
664.39221	15.2
681.39960	53.3
682.40234	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	682.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.3
53.03941	0.9
55.01864	0.3
57.03435	0.3
61.02921	0.4
63.95301	0.2
64.35646	0.2
67.05481	0.3
69.03426	3.3
70.18790	0.9
71.04977	0.5
79.01847	1.3
80.87954	0.2
81.02969	0.4
81.03418	6.6
81.07038	0.5
85.02901	2.9
91.05462	0.3
92.47174	0.2
93.07033	1.5
95.08598	1.2
97.02884	5.2
97.06540	0.5
99.04443	1.1
107.01293	1.1
107.08591	2.2
109.02187	0.4
109.02876	5.5
109.10182	1.3
110.00446	0.2
113.23164	0.2
125.02359	2.3
127.03915	7.6
130.60246	0.2
135.00711	0.3
135.11693	4.2
141.94646	0.2
143.03404	2.8
145.04947	1.6
153.01819	100.0
153.12717	3.7
154.02159	2.3
171.02875	19.7
172.03166	0.6
174.48689	0.2
237.03880	0.4
279.04959	1.1
297.06036	13.2
298.06375	0.6
315.07080	42.5
316.07428	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	682.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.4
55.05502	11.9
57.03444	3.2
57.07059	2.9
61.02916	2.6
62.46120	2.0
67.05500	12.4
69.03419	7.4
69.07063	10.8
69.12941	3.6
69.13351	16.1
79.05483	16.3
81.03407	4.3
81.07057	37.8
83.04990	13.2
83.08602	8.8
85.02918	16.9
88.26134	2.2
91.05467	21.7
93.07040	41.1
95.04964	4.5
95.08601	48.3
97.02873	10.7
97.06530	3.5
97.10152	3.3
99.04438	3.3
99.08089	2.3
105.07024	53.4
106.07347	2.0
107.04976	2.1
107.08583	57.2
109.02860	4.6
109.06497	6.8
109.10156	26.3
111.08092	10.2
117.07015	9.9
119.08569	88.1
120.08935	2.5
121.06534	5.0
121.10143	32.0
123.04416	3.7
123.08080	3.8
123.11725	12.1
123.59463	2.0
125.09619	12.4
127.03907	7.7
128.06213	3.4
129.06973	7.3
130.07735	2.0
131.08560	46.2
133.06516	4.7
133.10124	35.9
134.10449	2.6
135.08064	5.5
135.11664	16.3
137.05962	3.7
137.09641	5.2
142.07788	8.1
143.08531	23.1
144.09256	3.4
145.04927	3.9
145.10118	100.0
146.10460	2.7
147.04413	3.5
147.08054	3.9
147.11684	28.1
149.13235	15.8
151.07510	2.8
155.08499	6.7
156.09323	8.6
157.10120	38.5
158.10808	4.4
159.11696	48.9
160.12001	4.0
161.06010	2.6
161.09644	6.9
161.13268	22.7
162.07568	2.6
163.07567	7.6
163.11131	4.0
163.14780	15.7
165.12746	3.5
167.07054	3.1
167.08618	3.0
168.09372	3.4
169.10155	10.0
170.10924	12.5
170.39218	2.4
171.11667	34.3
173.09630	2.7
173.13261	58.7
174.13623	4.3
175.11127	3.8
175.14828	22.2
177.12759	4.5
177.16374	9.2
179.14305	3.4
180.08739	3.2
181.10126	5.3
182.10814	2.7
183.11690	26.0
184.12331	4.5
185.11697	4.1
185.13258	50.8
187.14809	90.0
188.15099	5.3
189.12772	7.6
189.16341	20.7
191.14279	23.0
193.08571	4.2
195.11687	4.9
196.12332	2.7
197.13234	20.1
199.14819	67.1
200.15132	4.8
201.12752	2.7
201.16383	49.4
202.16772	3.0
203.14336	14.3
203.17955	4.4
205.15891	28.9
206.16199	3.0
207.17384	4.2
209.13307	6.4
209.15390	11.5
211.09683	5.4
211.14755	14.4
212.09967	3.9
213.16324	11.7
215.14293	5.9
215.17975	8.0
217.15895	13.9
219.13803	3.3
219.17404	4.6
221.13419	2.1
221.15367	9.7
223.14784	4.4
225.16347	5.1
227.14375	3.2
227.18005	5.2
229.15916	3.6
231.13893	3.9
231.17398	5.8
233.15370	9.0
233.18912	8.4
235.16905	2.4
237.16359	2.4
239.17975	6.1
241.19502	2.9
243.17546	2.6
245.15158	5.4
247.16878	2.8
251.18126	3.1
257.15311	2.8
257.18994	5.6
265.19525	5.0
267.21060	3.3
269.18997	3.7
277.19366	3.0
279.21164	2.6
285.18436	2.7
300.09866	7.5
313.11737	3.2
341.13815	5.7
373.13885	11.3
385.28607	4.1
387.30365	4.6
391.29837	6.0
393.31381	4.9
403.29953	18.1
404.30054	3.2
405.31433	13.6
406.32144	2.3
409.31335	2.9
419.29504	7.8
421.31079	23.0
423.32773	3.1
431.29303	5.5
437.18494	2.6
437.30670	14.4
439.32181	7.4
441.33557	6.6
449.30551	55.2
450.30569	6.5
455.31262	4.9
467.31586	49.4
468.31903	5.1
485.32578	29.3
486.32364	3.4
503.33762	2.2
520.33624	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	682.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.4
55.05502	11.9
57.03444	3.2
57.07059	2.9
61.02916	2.6
62.46120	2.0
67.05500	12.4
69.03419	7.4
69.07063	10.8
69.12941	3.6
69.13351	16.1
79.05483	16.3
81.03407	4.3
81.07057	37.8
83.04990	13.2
83.08602	8.8
85.02918	16.9
88.26134	2.2
91.05467	21.7
93.07040	41.1
95.04964	4.5
95.08601	48.3
97.02873	10.7
97.06530	3.5
97.10152	3.3
99.04438	3.3
99.08089	2.3
105.07024	53.4
106.07347	2.0
107.04976	2.1
107.08583	57.2
109.02860	4.6
109.06497	6.8
109.10156	26.3
111.08092	10.2
117.07015	9.9
119.08569	88.1
120.08935	2.5
121.06534	5.0
121.10143	32.0
123.04416	3.7
123.08080	3.8
123.11725	12.1
123.59463	2.0
125.09619	12.4
127.03907	7.7
128.06213	3.4
129.06973	7.3
130.07735	2.0
131.08560	46.2
133.06516	4.7
133.10124	35.9
134.10449	2.6
135.08064	5.5
135.11664	16.3
137.05962	3.7
137.09641	5.2
142.07788	8.1
143.08531	23.1
144.09256	3.4
145.04927	3.9
145.10118	100.0
146.10460	2.7
147.04413	3.5
147.08054	3.9
147.11684	28.1
149.13235	15.8
151.07510	2.8
155.08499	6.7
156.09323	8.6
157.10120	38.5
158.10808	4.4
159.11696	48.9
160.12001	4.0
161.06010	2.6
161.09644	6.9
161.13268	22.7
162.07568	2.6
163.07567	7.6
163.11131	4.0
163.14780	15.7
165.12746	3.5
167.07054	3.1
167.08618	3.0
168.09372	3.4
169.10155	10.0
170.10924	12.5
170.39218	2.4
171.11667	34.3
173.09630	2.7
173.13261	58.7
174.13623	4.3
175.11127	3.8
175.14828	22.2
177.12759	4.5
177.16374	9.2
179.14305	3.4
180.08739	3.2
181.10126	5.3
182.10814	2.7
183.11690	26.0
184.12331	4.5
185.11697	4.1
185.13258	50.8
187.14809	90.0
188.15099	5.3
189.12772	7.6
189.16341	20.7
191.14279	23.0
193.08571	4.2
195.11687	4.9
196.12332	2.7
197.13234	20.1
199.14819	67.1
200.15132	4.8
201.12752	2.7
201.16383	49.4
202.16772	3.0
203.14336	14.3
203.17955	4.4
205.15891	28.9
206.16199	3.0
207.17384	4.2
209.13307	6.4
209.15390	11.5
211.09683	5.4
211.14755	14.4
212.09967	3.9
213.16324	11.7
215.14293	5.9
215.17975	8.0
217.15895	13.9
219.13803	3.3
219.17404	4.6
221.13419	2.1
221.15367	9.7
223.14784	4.4
225.16347	5.1
227.14375	3.2
227.18005	5.2
229.15916	3.6
231.13893	3.9
231.17398	5.8
233.15370	9.0
233.18912	8.4
235.16905	2.4
237.16359	2.4
239.17975	6.1
241.19502	2.9
243.17546	2.6
245.15158	5.4
247.16878	2.8
251.18126	3.1
257.15311	2.8
257.18994	5.6
265.19525	5.0
267.21060	3.3
269.18997	3.7
277.19366	3.0
279.21164	2.6
285.18436	2.7
300.09866	7.5
313.11737	3.2
341.13815	5.7
373.13885	11.3
385.28607	4.1
387.30365	4.6
391.29837	6.0
393.31381	4.9
403.29953	18.1
404.30054	3.2
405.31433	13.6
406.32144	2.3
409.31335	2.9
419.29504	7.8
421.31079	23.0
423.32773	3.1
431.29303	5.5
437.18494	2.6
437.30670	14.4
439.32181	7.4
441.33557	6.6
449.30551	55.2
450.30569	6.5
455.31262	4.9
467.31586	49.4
468.31903	5.1
485.32578	29.3
486.32364	3.4
503.33762	2.2
520.33624	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	682.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	4.5
61.02924	1.6
62.52945	1.3
65.03946	1.6
67.05510	18.0
69.03423	2.8
69.07069	10.8
69.27057	3.2
69.27473	9.0
79.05499	9.0
81.03414	3.8
81.07063	22.4
83.08609	4.3
83.53167	1.4
85.02910	5.9
85.36020	1.4
86.02370	1.5
90.84268	1.5
91.05465	9.8
93.07046	17.0
95.04984	2.5
95.08615	33.9
97.02895	4.1
97.06532	1.8
97.10154	2.0
100.48526	1.4
105.07027	22.2
107.08594	23.6
109.02909	2.5
109.06477	1.8
109.10157	66.9
110.10458	1.6
111.08075	14.9
111.11689	2.1
117.06976	4.0
119.08575	21.9
120.08921	1.4
121.06541	2.2
121.10139	20.5
123.11708	7.3
125.09605	2.4
127.03916	2.6
129.07013	3.0
131.08562	13.8
133.10124	14.3
134.24060	1.5
135.08032	1.7
135.11691	11.0
137.05963	4.3
137.13243	2.3
143.08522	8.1
145.02875	3.0
145.10126	17.2
147.11685	17.1
149.09685	1.8
149.13239	8.0
151.03893	2.6
151.07559	2.6
155.08530	2.7
157.10152	10.7
159.11726	15.8
161.09546	1.8
161.13284	9.0
163.07581	2.3
163.14827	5.8
165.12720	2.1
169.10147	6.8
171.11676	10.1
173.13289	14.1
175.14854	11.4
177.05482	6.4
177.09161	2.2
177.16386	3.4
181.10165	1.6
183.11726	5.1
185.13289	8.7
187.11102	1.7
187.14796	15.3
189.16408	8.3
195.11748	2.8
197.13246	6.0
199.14789	9.6
201.16400	13.0
203.14299	3.9
203.17963	3.0
205.15938	3.8
209.13330	2.3
211.14900	2.9
213.16362	7.0
215.17934	4.1
217.15904	2.3
219.13805	3.1
219.17419	1.8
221.11716	3.6
221.15298	2.0
223.14827	3.0
225.16402	6.5
227.17987	7.3
229.19553	2.8
231.13916	1.9
237.16321	3.2
239.17995	10.7
241.19490	6.4
245.18956	3.8
251.17964	2.3
253.19453	4.4
257.18994	4.1
259.16995	1.6
261.18539	1.9
265.19604	5.9
267.21082	4.1
269.22650	3.2
271.17017	2.0
273.18500	3.4
279.21115	4.4
281.22559	3.2
285.18564	4.7
287.20120	3.1
293.22641	4.1
295.24237	2.9
311.20029	5.5
313.21457	2.3
325.21613	2.7
327.23068	4.7
335.27466	4.2
339.23129	4.4
341.24429	3.2
348.61075	1.8
375.30518	7.5
377.32001	2.3
381.27917	11.9
385.23700	7.1
393.31509	22.2
394.31842	2.1
409.31332	3.8
421.30994	35.0
422.31158	4.6
423.32947	3.1
427.28485	4.0
439.32080	100.0
440.32669	13.7
449.30301	3.0
457.32950	7.5
467.31583	39.7
468.31775	5.5
485.32626	11.5
523.59131	1.6
682.34674	16.5
683.34857	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	682.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03966	5.7
55.01869	3.2
55.05509	12.8
57.03434	2.0
57.07075	3.9
60.04557	2.0
61.02936	3.0
65.03954	3.2
67.05497	18.4
68.62910	2.1
69.03430	12.2
69.07063	14.4
70.68502	4.9
71.04986	3.4
77.95298	2.1
79.05493	25.1
81.03416	6.8
81.07053	55.1
83.04990	11.3
83.08633	7.0
85.02899	27.7
85.03369	3.2
85.06547	4.4
86.52685	2.1
91.05478	32.0
92.51913	2.2
93.07044	52.0
95.04950	10.3
95.08599	51.3
97.02906	6.3
97.06542	8.4
97.10170	3.6
99.04441	2.5
103.05428	1.9
105.07024	61.9
107.04961	2.8
107.08587	67.3
108.08891	2.6
109.02884	4.2
109.06523	15.2
109.10151	33.7
111.08080	10.0
117.07027	11.2
119.04885	2.9
119.08575	100.0
120.08907	3.2
121.06522	11.6
121.10139	52.1
123.08047	12.1
123.11705	10.6
125.09662	6.6
127.03900	4.7
127.07537	8.4
127.95274	2.0
128.06212	4.1
129.06993	10.2
130.07799	4.7
131.08566	59.5
133.06496	3.9
133.10132	61.1
135.08049	11.7
135.11707	17.9
137.05971	3.6
137.09656	6.6
139.11249	3.3
141.06996	3.9
142.07727	10.0
143.08568	33.3
144.06575	2.8
145.04964	5.2
145.06506	2.9
145.10126	77.7
146.10521	3.9
147.08058	16.6
147.11690	37.6
147.12848	2.6
149.06017	3.0
149.09657	10.1
149.13234	18.3
151.07578	3.8
151.11113	4.4
155.08568	13.0
156.09360	11.8
157.10115	45.5
158.10925	8.2
159.08061	5.9
159.11710	55.5
159.12975	4.2
160.12093	2.7
161.09619	17.5
161.13251	26.3
162.07640	5.5
163.07597	3.1
163.11198	8.2
163.14801	13.5
164.15092	2.9
165.09187	4.2
167.07083	3.0
167.08600	4.2
167.10706	5.5
168.09283	3.0
169.10138	17.4
170.10915	10.4
171.11694	43.2
172.12221	3.1
173.09624	5.7
173.13257	61.3
174.13712	3.5
175.11200	9.5
175.14815	33.1
177.09184	4.5
177.12737	8.6
177.16425	13.7
179.08537	3.0
179.10748	2.6
179.14357	2.0
180.08739	6.7
181.10085	4.6
182.10895	6.6
183.11688	21.4
184.12364	4.9
185.13245	47.7
186.13857	3.1
187.11218	6.6
187.14818	63.9
188.15208	4.0
189.09108	2.7
189.12750	42.3
189.16382	27.9
190.13194	2.7
191.10664	3.4
191.14301	19.5
191.17894	3.8
193.10158	3.1
195.11708	10.4
196.12439	2.5
197.13266	34.9
199.11166	4.3
199.14810	51.1
200.15294	3.3
201.12712	9.7
201.16388	47.8
203.14265	17.0
203.15923	2.3
203.17928	14.5
205.12282	4.7
205.15860	11.6
207.11731	4.3
208.12456	2.4
209.13377	12.9
209.15100	3.5
211.14796	17.3
212.15514	2.9
213.12836	5.6
213.16357	33.6
214.16855	4.0
215.14307	24.9
215.17973	9.1
216.14783	2.6
217.15904	17.4
219.13921	2.9
219.17314	4.6
221.13322	4.4
221.15355	5.6
223.13191	5.7
223.14911	5.8
225.16397	5.9
227.14357	5.0
227.17961	8.9
229.15804	11.9
229.19449	2.2
231.13800	5.0
231.17468	8.0
233.15401	4.7
235.14825	4.0
235.16879	4.0
237.16417	6.3
239.18005	5.8
240.18504	2.3
241.16028	2.7
241.19559	9.1
243.21033	3.8
245.15410	11.6
247.14729	2.9
247.16980	7.7
249.16364	2.7
251.17960	8.4
253.19485	11.2
255.17456	3.8
255.21161	6.5
257.18958	8.2
259.17001	19.4
265.19562	7.0
267.21268	4.9
277.19290	4.0
283.20471	3.3
285.18671	4.2
287.20233	2.6
289.22168	2.5
297.18539	3.7
299.20166	6.6
301.21664	3.3
317.22617	3.9
319.24152	6.3
325.21436	2.9
345.25763	2.6
365.24615	3.8
373.28894	4.6
385.28870	10.9
387.30621	2.6
391.25739	2.4
391.30273	17.9
392.30579	2.6
393.27692	2.6
403.29959	41.0
404.30386	5.6
405.31497	6.7
413.28427	2.5
419.29443	14.1
421.31012	42.6
422.31265	7.6
431.29407	35.4
432.29855	4.6
437.30432	16.0
439.32117	11.1
449.30518	80.8
450.30795	13.9
457.33197	9.2
467.31567	52.2
468.31931	8.2
485.32895	12.1
503.33945	4.7
629.36664	7.8
682.34601	11.4
683.34589	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	683.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35618	0.5
53.03912	0.7
55.05515	1.1
62.82017	0.5
63.11774	0.6
67.05508	4.6
69.03429	1.1
69.07049	1.3
71.04998	0.7
73.02892	0.8
79.05477	1.7
81.03397	2.1
81.07043	2.5
81.66182	0.5
83.04969	1.2
83.08573	0.9
85.02899	1.5
86.09669	2.6
87.04439	0.6
91.03944	1.2
91.05460	2.1
93.07032	2.4
95.04920	1.2
95.08582	1.9
97.02885	1.8
97.06512	0.6
97.10210	0.7
99.04404	0.7
101.02380	0.6
103.05431	1.2
105.07001	2.4
107.04883	0.7
107.08582	1.9
109.02883	0.7
109.06487	0.8
109.10116	3.0
116.39655	0.5
117.06981	0.8
119.04932	0.7
119.08579	3.6
121.10107	1.6
123.11695	0.9
127.03952	0.7
129.06993	0.7
131.04909	0.9
131.08549	0.7
133.06473	0.8
133.10118	2.1
135.11589	1.1
137.05943	2.6
138.28052	0.4
139.03755	0.6
145.06346	0.5
145.10103	1.3
147.04416	1.0
147.08046	0.8
147.11647	0.9
149.05933	1.2
149.13249	0.6
151.03902	3.9
151.07565	1.3
155.08612	0.6
157.10095	0.6
159.11638	0.8
161.13246	0.5
163.07597	0.9
163.11230	0.6
165.09201	0.6
167.07043	0.7
173.11642	0.7
173.13237	0.7
175.11108	0.6
177.05446	0.9
181.04999	0.6
189.16396	1.3
191.07028	0.6
205.12201	0.5
229.14287	2.2
229.25610	0.7
254.19736	0.5
285.11169	0.9
299.08929	0.8
311.08829	0.6
315.08530	1.1
383.24268	0.8
421.79529	0.7
439.19214	1.2
453.20560	1.5
455.17001	1.3
469.19830	0.6
471.21194	0.6
601.10321	0.6
665.32471	1.6
683.30157	100.0
684.30573	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	683.4145
Annotation	Rubescensin M
Peak:m/z	Relative Intensity
50.44375	0.9
53.03951	1.3
55.05515	5.1
57.02234	0.9
57.12262	0.8
58.23332	1.0
61.02920	1.4
63.02358	1.0
65.03942	1.1
67.05510	7.9
69.03432	1.3
69.07067	6.8
71.04965	1.4
79.05505	4.7
81.03418	1.1
81.07055	14.1
83.08634	5.2
85.02935	1.5
89.03914	7.6
91.05440	6.2
93.07040	12.2
95.04951	2.2
95.08607	16.6
97.10126	1.0
103.05432	1.9
105.07027	10.1
107.08588	14.2
109.10148	6.9
111.08068	1.1
117.03378	16.5
117.07001	1.8
117.34183	1.0
119.04928	1.3
119.08583	9.3
121.06488	1.7
121.10146	13.6
122.38640	0.9
123.08112	1.0
123.11690	4.1
125.06023	1.2
129.07007	1.1
131.08560	6.0
133.10138	8.1
134.03645	2.3
135.04404	3.7
135.11722	9.4
137.05978	2.6
137.13263	5.0
143.08545	3.7
145.02835	46.3
145.10133	7.1
146.03189	1.7
147.04358	1.7
147.11665	5.8
149.05977	8.3
149.13252	9.8
151.03903	5.3
151.07521	2.5
151.14772	1.3
153.05455	2.2
155.08562	1.0
157.10112	3.0
159.11700	3.7
161.05956	1.2
161.13246	4.8
163.03865	2.9
163.07587	1.1
163.14772	1.7
165.05513	1.1
165.09070	1.0
171.11749	5.2
173.09572	1.2
173.13246	4.0
175.14793	4.7
177.05463	100.0
177.16359	8.9
178.05803	4.5
179.07147	1.0
183.11777	1.4
185.13268	2.6
186.05516	2.3
187.14835	3.0
189.09079	1.7
189.12808	1.6
189.16383	6.2
191.17906	2.7
195.06519	40.0
195.11800	1.2
196.07011	1.4
199.14810	4.3
201.16327	4.9
203.10666	1.4
203.17976	7.2
205.15891	2.2
211.14848	1.8
213.16249	1.4
215.17911	1.6
217.08601	1.3
217.12291	3.9
217.15918	2.0
217.19528	2.3
227.17949	1.6
231.17479	1.7
233.15372	1.1
239.89232	0.9
243.08446	1.0
243.13725	1.1
245.15451	2.0
255.10304	1.0
274.88528	1.1
275.16339	2.1
325.73016	1.0
367.29773	2.3
369.65274	0.9
381.31393	1.2
389.31360	1.0
393.78653	1.0
395.29449	2.2
407.32925	5.2
427.32089	2.2
435.32559	2.7
453.20740	3.6
453.33731	8.0
454.33621	1.2
471.34659	3.3
683.33368	39.9
683.45502	14.4
684.33459	4.8
684.46564	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4144
Annotation	Rubescensin M
Peak:m/z	Relative Intensity
53.03944	3.9
55.01867	7.9
55.05506	9.5
57.07077	13.2
59.04996	3.2
67.05505	17.2
69.03434	5.9
69.07076	12.4
69.08747	14.9
69.09151	4.0
71.04993	5.9
78.67595	1.6
79.05484	18.7
80.64491	2.1
81.07048	27.9
83.04992	4.8
83.08614	5.8
85.06548	12.2
87.04460	2.6
89.18552	1.8
91.05467	18.7
93.07045	44.4
94.07338	1.9
95.04959	6.7
95.08605	35.6
97.06516	12.7
97.10173	4.0
105.07023	21.7
106.07375	2.3
107.04965	4.5
107.08592	40.0
108.08931	2.6
109.06528	12.4
109.10152	16.0
111.04430	2.7
111.08061	5.2
113.05999	8.7
117.07019	6.8
119.08569	17.1
121.06496	27.4
121.10139	29.3
123.04404	10.1
123.08086	10.9
123.11716	7.2
125.05976	4.2
125.09634	7.5
129.07056	2.5
131.08517	11.1
133.10138	10.4
134.10498	2.1
135.08038	22.1
135.11682	11.3
137.06007	5.5
137.09612	17.1
139.03897	5.2
139.07492	2.4
139.11166	10.3
141.05461	3.6
145.10132	13.8
147.08142	2.5
147.11736	9.0
149.06000	6.3
149.09608	15.4
149.13237	14.4
150.10245	2.3
151.03905	5.1
151.07527	6.5
151.11198	7.0
151.35461	2.2
153.05493	6.9
153.09102	18.1
153.12804	2.9
155.03386	13.6
155.07083	1.9
157.10056	2.2
159.08034	3.0
159.11678	10.0
161.05942	2.9
161.09651	4.2
161.13281	4.3
163.07581	10.0
163.11183	8.7
163.14890	3.9
165.05388	2.5
165.09099	5.1
167.07001	2.8
167.10696	8.1
167.14322	3.0
169.04974	3.1
169.10060	2.1
171.11743	2.4
173.13277	5.8
175.07448	4.1
175.11122	3.2
175.14856	4.1
177.05396	4.0
177.09116	6.1
177.12753	3.1
177.16374	6.3
179.07018	13.2
181.05020	2.7
181.08577	5.1
181.15884	6.3
187.11156	2.2
187.14883	4.2
189.09114	3.0
191.07051	26.2
191.10669	2.5
191.14357	9.1
193.08618	24.9
193.12225	2.5
197.08080	17.3
201.12683	2.9
201.16385	21.6
202.16888	2.0
205.08585	11.7
205.15799	13.4
207.13937	2.1
209.08055	3.7
209.15381	30.9
211.09637	79.5
211.11636	4.2
212.10002	4.0
215.10591	3.3
215.14244	2.3
217.12134	2.7
218.16258	2.1
219.10211	2.9
219.13893	3.2
219.17450	20.9
221.11752	2.2
223.09691	5.0
223.16885	3.9
233.08090	4.4
233.11884	2.7
235.13326	8.6
237.11281	2.0
237.14847	16.5
241.12186	3.1
243.10236	1.9
245.11699	5.5
247.13359	3.3
249.14755	2.3
251.09082	15.3
251.16389	3.2
257.11703	2.0
257.19101	1.8
259.13376	4.8
261.11200	9.1
263.12701	4.3
265.14316	4.4
269.11719	2.0
275.12784	13.3
275.20068	2.3
287.12784	3.5
305.13846	5.0
327.19653	3.5
341.21152	2.5
345.20428	5.0
345.85114	1.9
359.22256	2.4
393.24475	3.1
397.23972	2.2
411.25256	10.9
415.20801	4.1
417.18985	3.1
429.22131	35.6
429.27448	2.4
430.22577	2.6
443.24304	4.3
447.23514	6.2
465.29990	3.7
469.22348	2.9
483.31693	11.5
487.23312	36.4
488.23550	4.0
499.26697	2.9
501.31827	2.3
511.26654	4.4
518.37311	2.3
556.26501	2.0
563.33563	3.6
577.35150	5.4
581.34247	3.2
629.37903	5.0
647.39502	50.8
648.40057	8.6
665.40430	100.0
666.41046	16.1
683.41052	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.5
67.05511	1.0
69.07066	0.4
69.29452	0.6
69.29855	1.3
73.04749	0.4
78.59776	0.2
79.05500	0.4
79.64763	0.2
81.07080	0.9
83.08625	0.4
87.54462	0.2
91.05480	0.6
93.07077	0.7
95.08633	0.9
101.32912	0.3
107.04994	0.3
107.08613	0.4
108.48959	0.3
109.06501	0.3
109.10162	0.5
111.66825	0.2
119.05030	0.3
121.10184	0.6
129.07031	0.4
131.08618	0.4
133.06573	0.3
133.10208	0.5
135.04495	0.3
135.08072	0.3
137.04927	0.3
137.06003	0.7
143.08563	0.3
145.02881	0.5
145.10164	0.4
147.11670	0.3
149.13310	0.3
151.03917	2.5
151.05049	0.4
151.07533	0.7
157.06488	0.3
159.08110	0.3
177.05528	0.8
198.15605	0.3
203.10773	0.4
203.18047	0.3
205.12350	0.4
235.09734	0.8
333.19165	0.5
351.20340	1.1
369.21786	0.8
521.41235	0.3
665.45099	0.3
683.47040	100.0
684.47388	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	684.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.1
54.99280	0.5
55.01857	1.9
57.03424	2.5
57.46772	0.5
61.02925	6.4
65.03930	0.8
66.44737	0.5
69.03421	11.9
69.66407	1.3
69.66821	1.8
71.04960	1.2
73.02895	2.6
73.04733	1.2
79.05492	1.7
81.03411	4.5
85.02899	56.8
86.03232	1.2
87.04456	1.1
89.03891	0.6
91.03965	2.9
91.05783	1.9
97.02883	17.5
98.22605	0.7
99.04445	2.4
103.05457	29.0
105.07024	1.7
107.04948	3.2
109.02871	5.5
115.43866	0.6
117.03394	0.8
117.07011	0.8
119.04932	1.9
119.05753	0.5
120.79304	0.5
121.06490	1.3
123.04392	0.7
123.66710	0.5
127.03903	12.4
131.04915	17.5
132.05687	1.8
133.02898	0.8
133.06468	0.6
135.04416	2.9
135.08011	2.7
137.05969	15.8
138.06290	0.5
138.06760	0.5
141.06903	0.5
145.02873	1.6
145.04947	21.4
147.04398	5.2
149.05954	8.5
151.03954	1.2
151.07524	2.0
159.04472	0.7
161.02296	1.5
162.07594	0.6
163.03894	8.3
163.06024	6.0
163.07533	17.1
164.08321	44.7
165.08788	2.2
167.05617	1.0
173.05954	2.0
177.05478	1.3
179.07019	1.4
180.07730	3.1
187.03893	2.8
188.04674	1.1
201.05446	5.4
205.04868	4.5
212.91959	0.5
219.06456	4.4
219.08260	0.5
222.06784	0.7
233.05960	1.2
237.09030	0.6
247.07542	1.9
249.05429	0.9
250.06206	1.0
264.07834	3.4
265.08557	2.9
275.06989	1.8
279.10141	1.0
283.09625	0.8
289.08887	0.7
292.07245	3.4
307.09610	13.9
308.09924	1.2
322.80020	0.6
325.10672	100.0
326.10995	7.7
343.11728	18.5
344.12128	1.8
355.06882	0.7
359.02658	1.0
429.08691	0.9
446.14328	0.5
461.52411	0.7
684.23328	1.0
684.36176	0.7
684.53546	0.6
685.23273	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72366	0.6
51.82094	0.6
53.03942	1.2
53.51763	0.7
54.42959	0.6
55.05506	2.9
57.03437	0.8
57.07089	0.9
65.03957	1.0
67.05505	8.3
69.03433	2.3
69.07056	5.2
69.46997	0.7
69.70765	3.9
71.04987	1.6
79.05488	7.0
81.03413	1.1
81.07056	15.5
83.04990	0.7
83.08610	1.8
85.02905	5.3
85.06544	10.5
91.05458	8.5
93.07043	18.9
95.04984	1.2
95.08602	21.3
96.08921	0.7
97.02888	2.0
97.06525	1.2
97.10181	1.7
99.04467	0.9
99.08083	1.4
103.05480	1.0
105.07026	17.6
107.04868	0.6
107.08589	20.1
109.06532	0.8
109.10155	23.3
111.08095	6.3
111.11722	0.8
117.07021	3.6
119.04932	2.1
119.08577	17.3
121.10135	18.7
121.10980	1.2
123.08099	1.0
123.11686	4.0
125.09647	1.4
127.03937	1.6
128.06187	0.9
129.06985	2.9
131.08553	12.4
133.06537	0.9
133.10127	14.4
135.08089	1.4
135.11696	9.8
137.05988	1.9
137.09625	1.8
137.13232	1.4
141.07002	1.0
143.08536	6.7
145.04987	1.2
145.10121	19.8
147.04402	1.3
147.08069	1.2
147.11693	13.8
149.06000	1.2
149.09633	2.7
149.13258	6.3
151.03928	0.9
151.07565	1.6
151.11169	1.2
151.14825	1.0
155.08566	3.5
157.10126	9.8
159.11684	18.1
160.12025	1.1
161.06010	3.3
161.09680	0.8
161.13240	11.9
161.14494	0.9
162.07591	1.6
163.07510	1.1
163.11179	3.6
163.14839	3.5
165.12822	1.4
167.08540	1.0
167.10716	1.5
169.10150	5.0
171.11707	9.6
172.12158	0.9
173.09633	2.7
173.13264	10.8
174.10056	0.8
175.03993	1.6
175.07553	1.1
175.11201	2.7
175.14836	7.9
177.05302	0.9
177.09076	0.7
177.12761	2.0
177.16324	4.0
180.08665	2.7
181.10101	2.5
183.11725	6.3
185.13245	11.5
186.13869	0.9
187.11174	1.5
187.14819	14.8
189.12775	3.7
189.16371	9.3
191.14337	1.2
191.17946	1.7
193.15862	0.8
195.11711	4.3
197.13269	4.7
199.11134	0.7
199.14789	8.9
201.09122	1.9
201.12787	2.7
201.16370	14.2
202.16797	0.8
203.14381	2.2
203.17987	1.8
205.15860	9.2
207.06529	4.4
207.11757	1.5
207.17458	1.1
209.11554	1.0
209.13271	5.5
211.11247	1.0
211.14795	4.3
213.12749	2.5
213.16342	3.6
215.14349	3.9
215.18004	1.7
217.15964	1.7
219.11743	1.0
219.17448	2.5
221.13313	2.2
223.13011	1.4
223.15022	4.4
223.16772	1.3
225.12845	1.5
225.16435	3.2
227.14275	3.7
227.17926	2.3
229.12273	1.1
229.15846	0.9
229.19531	0.9
231.13803	1.0
235.14908	2.1
237.16447	2.4
239.14346	2.3
239.17848	1.2
241.15839	1.3
241.19495	1.0
243.13857	1.7
243.17528	1.3
245.15269	4.0
247.14987	1.0
249.16460	3.8
251.17935	5.9
252.18495	1.5
253.19611	2.8
255.13933	1.7
255.17580	0.8
257.15320	1.1
257.19034	0.8
263.18021	2.9
265.15997	0.7
265.19464	3.9
267.17493	1.6
267.21124	1.2
269.15747	1.5
269.19034	5.4
273.14792	3.3
275.17767	1.3
277.19519	3.7
279.20993	1.3
281.19067	1.8
283.20523	8.0
291.21109	1.6
295.17453	0.8
295.20547	4.7
297.18558	3.1
303.21057	1.0
309.18503	1.0
311.20059	5.5
315.19531	4.5
317.06570	3.6
317.22607	3.2
319.24103	2.9
323.20090	2.5
324.20517	0.9
327.19614	2.4
329.21082	17.7
330.21478	1.0
335.23666	1.5
337.25247	2.0
341.21085	9.0
342.21744	1.0
355.22906	1.6
359.27368	8.4
365.24673	2.0
367.22964	1.2
367.29749	1.0
377.28400	11.5
378.28787	1.2
381.24146	2.9
383.25775	22.9
384.26166	2.1
387.21619	3.2
389.31924	0.8
395.29510	1.3
405.27344	6.0
405.32394	1.4
407.32806	0.9
411.28827	7.5
423.28839	100.0
424.29178	11.5
433.30911	1.6
441.29846	99.5
442.30298	11.7
451.32407	5.1
452.32355	1.2
459.31149	2.3
469.28720	1.6
487.34311	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44498	0.6
53.03989	0.9
55.05581	2.7
57.43088	0.7
61.83635	0.7
67.05583	7.5
68.06870	0.7
69.03506	2.1
69.07150	5.0
69.40751	0.6
70.87249	1.3
71.05049	0.8
79.05583	5.6
81.03504	1.5
81.07151	14.4
83.08717	2.2
85.03002	4.0
85.06640	9.1
91.05592	6.3
93.06528	1.3
93.07145	16.4
95.05061	1.5
95.08710	21.0
96.09007	1.1
97.02994	2.4
97.06611	1.0
105.07022	14.9
106.07433	0.7
107.05031	0.8
107.07932	0.9
107.08589	18.0
108.08985	1.2
109.06622	1.3
109.10150	18.6
110.10593	0.8
111.00333	0.6
111.08088	6.0
117.07127	2.0
119.05006	1.4
119.08589	18.1
120.09022	0.9
121.06580	1.1
121.10140	12.7
123.08208	0.7
123.11819	3.0
125.09752	2.2
127.04035	1.6
129.07108	2.3
131.05011	0.8
131.08565	9.1
133.10130	13.8
135.11697	9.6
137.06053	1.2
142.07880	1.2
143.08554	6.9
144.09488	1.1
145.05037	1.2
145.10117	20.7
146.10590	1.0
147.04521	1.5
147.11682	12.5
149.09727	2.0
149.13249	5.2
151.11267	1.5
155.08514	3.4
157.10126	8.8
159.08141	1.1
159.11691	17.6
160.12131	1.1
161.06085	2.5
161.09666	0.9
161.13248	12.7
162.07724	0.9
163.07570	1.4
163.11153	3.8
163.14783	4.6
165.12804	1.3
167.08722	1.1
167.10750	1.4
169.10114	3.8
171.08128	0.9
171.11688	10.9
172.12305	1.1
173.09633	3.9
173.13242	8.4
175.04004	1.8
175.07693	1.6
175.11308	3.3
175.14793	5.6
177.12852	2.3
177.16489	3.1
179.14412	0.9
180.08690	1.7
181.10216	2.7
183.11661	4.4
185.13268	11.2
186.13887	0.8
187.11319	2.0
187.14813	12.1
188.15279	1.0
189.12750	3.5
189.16394	7.6
191.14299	1.6
191.18016	1.2
195.11841	3.3
195.13741	1.0
197.13260	4.7
198.13687	0.8
199.11267	1.0
199.14825	8.4
201.09189	1.6
201.12900	2.2
201.16374	14.0
202.16798	1.2
203.14445	1.5
203.17920	3.6
205.12289	0.8
205.15866	8.9
207.06500	4.0
207.17488	1.7
209.11699	1.2
209.13293	5.4
211.11316	0.9
211.14795	4.5
213.12872	2.7
213.16338	4.3
215.14445	2.4
215.18077	2.2
217.12270	1.7
217.16039	2.1
219.17522	1.0
221.13362	2.7
223.13058	1.3
223.15041	5.0
223.16786	1.0
225.12898	1.5
225.16457	3.8
227.14336	4.0
227.17966	1.7
229.16019	2.5
231.13950	1.9
235.15041	1.9
235.65846	0.7
237.16557	2.0
239.14447	2.0
239.17986	2.4
241.15994	2.3
241.19589	1.5
243.13976	0.8
243.17410	1.1
245.15477	2.7
247.15001	0.9
249.16507	2.7
251.17992	6.3
253.19591	3.3
255.13873	1.7
257.15472	1.3
259.60965	0.8
261.14774	1.3
263.17963	2.5
265.19565	4.2
267.17474	1.3
267.21109	1.4
269.15427	2.0
269.19077	5.5
273.14932	1.7
277.19568	3.2
279.21030	0.9
281.19034	1.9
283.20605	7.0
289.19415	1.0
291.21155	1.5
293.18942	1.0
295.17273	1.2
295.20389	3.8
297.18524	3.0
303.21088	0.8
309.18683	1.0
311.19836	3.8
313.18024	1.1
315.19577	3.3
317.06454	2.1
317.22644	2.3
319.24365	1.7
321.22119	1.2
323.20065	2.1
327.19580	1.6
329.21088	19.3
330.21524	1.9
331.15576	0.8
333.25543	1.0
337.25357	2.7
341.21100	8.5
355.22858	1.1
359.27280	6.7
365.24594	1.9
367.22525	1.7
377.28366	11.3
381.24170	3.0
383.21170	1.3
383.25793	20.8
384.26157	2.1
387.21735	3.3
395.29382	3.1
405.27179	5.7
405.31760	2.3
407.32852	1.0
411.28848	8.9
412.29089	1.0
423.28809	100.0
424.29153	11.4
433.31039	1.8
441.29840	97.3
442.30057	9.0
451.32227	4.8
459.30936	2.2
469.28528	1.1
469.32953	2.5
685.34772	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00280	1.2
53.03939	1.5
55.05520	6.6
62.81083	1.1
67.05510	10.2
69.03428	5.3
69.07055	5.2
71.32116	1.4
74.99724	1.3
79.05481	7.0
81.03410	3.3
81.07055	16.9
83.04963	1.8
83.08615	3.1
85.02902	14.0
85.06542	11.2
91.05439	7.8
93.07050	18.1
95.04923	1.3
95.08605	22.8
97.02882	4.3
97.06554	1.2
97.10155	2.9
103.05508	1.3
105.07039	17.0
107.08598	21.9
108.08959	1.3
109.02911	1.6
109.06548	1.3
109.10157	23.2
110.10461	1.3
111.08065	8.3
117.07020	3.3
119.08582	19.6
121.10135	15.6
123.11687	5.6
125.06034	1.2
125.09613	1.3
127.03976	2.4
129.07013	2.5
131.04890	1.4
131.08568	10.9
132.51781	1.2
133.10112	16.1
135.11699	13.9
137.05952	3.8
137.09628	1.4
137.13303	1.3
143.08549	4.9
145.04947	1.5
145.10135	18.2
147.04437	2.7
147.11671	16.3
149.09596	2.8
149.13271	10.1
151.03917	3.0
151.11188	2.5
151.14740	1.3
152.04276	1.4
155.08572	4.5
157.10153	10.3
159.11691	17.7
161.05966	1.8
161.09700	1.4
161.13252	15.5
163.07600	1.9
163.11159	3.7
163.14841	4.7
165.09207	1.4
165.12788	1.7
167.07022	2.4
167.10657	1.7
169.10146	5.4
171.11674	11.5
173.09677	2.9
173.13239	8.1
175.11192	2.6
175.14819	5.3
177.12651	1.8
177.16374	4.5
181.10106	2.5
183.11661	5.2
185.13272	9.0
187.11140	1.7
187.14844	11.5
189.12772	4.0
189.16347	7.1
191.14284	1.4
194.04498	1.3
195.11687	2.6
197.13252	5.1
199.14847	6.1
201.09177	1.8
201.12711	2.5
201.16396	12.8
203.17940	2.6
205.15883	4.4
207.06500	2.8
209.11592	1.5
209.13303	5.0
211.14816	5.3
213.12775	2.1
213.16382	3.2
215.14342	4.5
215.17920	1.8
217.12241	1.7
217.15916	1.9
221.13377	1.8
223.14827	4.6
223.16850	1.5
225.12732	2.6
225.16400	3.8
227.14325	3.3
227.18048	3.0
229.15840	2.1
235.14893	1.9
237.16486	3.4
239.14285	2.2
239.17976	1.9
241.15887	1.6
241.19432	2.4
245.15356	1.2
249.16440	3.6
251.17981	6.9
253.19597	3.0
261.14865	1.8
263.18066	2.5
265.19513	3.5
269.15439	1.5
269.18890	4.0
273.14871	2.3
277.19452	3.1
281.19104	2.3
283.20502	9.1
295.20578	4.2
303.20886	1.6
311.20074	4.5
313.10651	1.6
313.17908	2.1
315.19235	2.4
317.22614	2.4
319.24222	3.2
323.20010	1.9
327.19601	2.3
327.71747	1.4
329.21069	19.9
330.21408	2.8
337.25256	3.2
341.21091	8.3
359.02887	1.3
359.27383	6.5
365.24500	2.4
367.29919	1.5
377.28458	10.1
381.24344	3.7
383.25787	29.4
383.30701	1.6
384.26166	3.0
387.21417	3.6
395.29254	2.7
405.27734	5.4
411.28821	10.9
413.30081	1.5
423.28827	100.0
424.29242	10.1
425.31583	1.5
441.29913	96.4
442.30255	10.8
451.32193	2.5
469.33176	5.3
477.29456	1.3
487.33853	1.4
657.81073	1.5
684.34937	1.5
685.35034	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90780	0.8
55.05499	3.1
67.05502	8.2
69.03422	1.3
69.07059	4.4
70.64439	2.3
79.05498	5.6
81.07062	15.2
83.08607	1.6
85.02901	3.4
85.06543	8.1
91.05488	6.0
93.07050	12.3
95.08603	18.4
97.02881	1.1
97.06502	0.7
105.07021	14.0
105.52126	0.7
107.08585	15.1
109.10153	20.9
111.08064	4.0
117.07011	2.9
119.08589	14.9
121.10139	9.6
122.10567	0.7
123.11713	2.9
125.09621	1.8
127.03935	0.8
129.07034	1.8
131.08560	9.4
133.10135	12.2
135.11699	8.2
137.13239	1.0
143.08597	4.0
145.05013	0.8
145.10114	16.6
146.10442	1.0
147.11691	10.8
149.13263	5.6
151.11180	1.0
153.01785	1.1
155.08539	3.0
157.10129	8.6
159.11697	13.1
161.09618	1.2
161.13249	10.1
163.11166	2.3
163.14828	3.5
167.08588	0.8
167.10660	1.1
169.10162	4.3
171.11710	9.7
173.09621	2.4
173.13245	7.9
175.07542	1.1
175.11226	3.0
175.14842	4.6
177.12756	1.2
177.16364	1.3
181.10178	2.5
183.11697	5.8
185.13255	7.1
187.11211	3.0
187.14792	7.9
189.09138	0.9
189.12773	3.3
189.16359	4.4
193.10112	1.6
195.11699	4.5
195.13606	0.7
197.13246	5.0
199.11325	0.8
199.14874	4.6
201.12799	1.2
201.16364	11.5
205.15941	2.1
207.11771	1.9
209.13216	6.3
211.14761	3.8
213.12711	1.5
213.16479	1.8
215.10719	1.0
215.14346	3.2
217.12364	0.9
219.17351	1.0
221.13274	2.5
223.13089	1.8
223.15056	4.1
225.12798	1.6
225.16374	4.1
227.14369	4.1
227.17941	0.8
228.14526	0.9
229.15895	1.4
231.13576	1.2
233.13425	0.9
235.14886	1.2
237.16423	1.8
239.14343	2.7
239.17838	1.9
241.15988	1.4
241.19481	1.5
243.17529	1.3
245.15372	1.8
246.20039	0.8
247.14900	0.9
249.16422	1.8
251.17973	5.9
253.15825	0.9
253.19525	2.5
255.13780	1.0
255.17526	1.1
261.14713	1.1
263.17987	2.5
265.15958	0.7
265.19498	4.9
267.17371	1.0
269.15533	1.6
269.19006	5.2
273.14743	2.1
277.19586	3.1
279.21060	1.7
281.18848	1.7
283.17700	1.2
283.20502	6.4
289.19601	1.3
293.19019	1.5
295.17435	1.0
295.20633	2.3
297.18460	3.0
309.18658	1.3
309.22134	0.9
311.20020	3.3
313.18021	1.7
315.19571	6.9
317.22580	1.8
319.24127	2.8
323.20023	1.1
327.19244	1.6
329.21085	23.3
330.21335	2.1
337.25281	1.8
341.21054	7.9
355.22824	1.5
359.27228	6.5
365.24554	1.5
377.28448	11.5
381.24194	2.7
383.25790	21.4
384.26086	3.2
393.27969	1.2
395.29477	2.5
405.27789	7.4
411.28973	9.7
423.28912	100.0
424.29303	14.2
441.29984	71.5
442.30295	8.2
451.28220	1.2
459.31641	0.8
653.77765	1.0
696.00208	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.431
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66451	1.6
53.03936	2.4
55.05514	16.3
57.03436	2.9
57.07066	2.1
60.69683	2.1
66.70235	1.7
67.05507	11.0
69.03432	5.1
69.07086	10.1
69.12601	7.9
69.13021	8.8
71.58809	1.6
73.04768	2.6
79.05499	12.8
81.07052	25.4
83.04984	5.4
83.08613	15.5
85.02910	17.9
85.06553	1.8
91.05443	13.0
93.06539	1.7
93.07041	37.8
95.04987	5.0
95.08607	35.0
97.02876	3.2
97.06499	3.6
97.10162	2.9
98.23282	3.8
99.08082	4.1
104.88929	1.9
105.07029	38.2
107.08592	50.5
109.06538	3.6
109.10156	17.6
111.08090	4.6
117.07004	5.4
119.08584	49.4
119.09401	3.8
121.06505	7.4
121.10154	32.5
123.08076	3.9
123.11698	6.5
125.05970	5.5
125.09634	2.1
129.06999	5.3
131.08575	25.3
133.10130	35.3
135.08043	4.9
135.11679	14.2
137.05948	4.3
137.09610	5.7
137.13216	3.2
139.11192	2.3
143.08554	11.9
145.04999	2.9
145.10117	39.9
147.04491	2.0
147.08031	5.1
147.11664	27.9
149.09625	6.0
149.13231	10.6
153.09126	2.0
155.08528	5.2
156.09309	5.5
157.10110	25.0
158.10802	2.2
159.11690	33.5
161.09608	6.3
161.13206	14.9
163.11136	9.5
163.14806	17.3
165.09087	3.2
165.12717	2.8
167.10675	3.0
168.09297	1.9
169.10103	13.3
170.10777	3.1
171.11667	23.9
173.09708	2.9
173.13268	26.6
175.11163	7.5
175.14787	14.3
177.12726	2.0
177.16397	6.5
181.10042	1.7
181.12234	7.4
182.10936	2.1
183.11693	15.6
184.12341	2.1
185.13264	23.1
187.11317	2.7
187.14818	18.4
189.12776	6.1
189.16385	10.6
190.72179	1.7
191.14336	5.1
193.12184	4.4
195.11705	4.1
197.13240	14.5
199.14836	17.5
201.12817	4.3
201.16402	13.6
203.14307	6.4
203.17973	6.5
205.15848	4.6
207.11662	2.6
207.13669	2.1
207.17384	2.1
209.13237	6.4
209.15373	5.2
211.13118	2.8
211.14886	9.8
213.16325	7.2
215.10585	2.4
215.14316	5.2
215.17894	5.1
217.15892	6.4
221.13338	3.1
221.15427	3.1
223.14899	4.6
225.16429	6.1
227.17902	3.0
229.15892	5.5
229.19600	3.2
231.17462	2.5
233.13300	2.1
235.14731	2.9
237.16396	2.8
239.18095	2.4
241.19429	4.3
243.17502	3.1
247.17062	3.8
249.18471	3.5
251.17937	4.0
253.19553	4.4
255.17189	2.3
255.21091	6.5
257.22858	2.3
263.17764	2.7
267.21207	2.4
269.22583	2.9
281.18784	3.3
287.23840	2.4
289.21548	2.0
299.19958	4.8
301.21658	3.9
309.22174	1.9
317.21298	3.2
341.24866	2.3
355.26279	5.2
359.25861	3.1
361.29205	1.9
367.26257	2.4
373.27057	4.5
375.30176	2.6
387.30405	3.9
393.31421	7.1
405.31607	19.8
421.31024	14.5
423.32614	32.1
424.32730	4.6
433.31085	21.9
439.32059	24.1
440.31793	2.8
441.33539	6.0
451.32037	100.0
452.32300	14.5
457.32965	5.0
459.34634	44.0
460.35025	5.9
469.26715	3.4
469.33154	54.5
470.33234	8.0
475.33670	3.0
487.34125	34.4
488.34265	3.3
505.35306	14.4
506.35361	3.1
684.22131	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.4311
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55046	1.8
52.55062	1.9
53.03945	4.6
55.05508	12.3
57.03427	4.2
57.07068	3.8
61.02916	3.2
63.38878	2.3
66.25681	2.1
67.05486	14.6
69.03432	6.0
69.07071	14.6
69.10240	19.0
71.05000	2.2
73.04772	2.0
73.61336	2.3
78.19014	2.0
78.84450	2.1
79.05501	13.5
79.25063	2.1
81.03410	4.4
81.07055	42.6
83.04977	6.9
83.08602	8.3
85.02903	21.7
85.06515	4.3
91.05439	17.2
93.06445	2.5
93.07041	44.6
94.07343	2.0
95.04982	6.7
95.08598	66.3
97.02880	5.2
97.06512	6.3
97.10187	2.4
105.07027	51.8
107.08591	64.3
109.06514	8.1
109.10148	32.4
111.08074	6.5
115.05436	3.1
117.07018	9.4
119.04957	3.0
119.08574	100.0
120.08868	3.4
121.06532	7.7
121.10140	55.2
123.08064	8.1
123.11700	8.7
124.51794	2.3
125.06024	2.3
127.03893	4.3
129.07045	3.3
131.08565	40.3
133.06456	3.6
133.10123	75.7
134.10426	3.8
135.08063	7.1
135.11673	19.5
137.05971	5.1
137.09628	5.0
137.13211	3.1
142.07768	6.6
143.08565	20.9
144.09340	4.0
145.10117	65.0
146.10797	2.5
147.04378	11.7
147.08067	15.5
147.11684	38.3
148.12053	2.6
149.09627	9.0
149.13248	19.5
151.07474	3.0
151.11160	3.9
153.09091	3.9
155.08533	7.4
156.09351	8.7
157.10124	35.6
158.10725	2.5
159.08066	3.4
159.11688	57.9
160.12074	2.6
161.05960	2.8
161.09628	25.7
161.13219	27.8
162.07570	4.2
163.11169	5.1
163.14813	23.1
165.05405	2.1
167.10655	6.8
169.10127	10.4
170.10963	10.1
171.11682	34.6
173.09673	5.5
173.13252	53.4
175.11151	9.3
175.14809	31.9
177.12767	3.7
177.16376	26.2
180.08722	6.8
182.10959	3.0
183.11676	9.6
184.12503	6.1
185.13239	24.9
187.11217	2.6
187.14801	69.3
189.12755	29.3
189.16376	69.6
190.16733	5.9
191.07185	3.1
191.14272	30.1
191.17897	12.3
197.13277	23.0
198.13670	2.6
199.14822	45.0
200.15395	2.2
201.12819	3.4
201.16377	55.0
202.16792	3.9
203.14304	23.1
203.17941	40.2
205.04759	6.6
205.15833	6.9
205.19522	5.1
207.13791	2.7
207.17400	4.0
209.13318	4.6
209.15306	2.8
211.14796	9.0
213.16376	23.9
214.16934	3.9
215.14363	25.2
215.17915	31.1
217.15883	34.0
217.19476	2.8
218.16263	5.0
219.17456	3.7
221.15416	10.2
222.14153	2.1
225.16437	9.6
227.17992	5.8
229.15881	16.2
229.19566	7.0
231.17369	6.5
233.15414	5.7
233.18846	3.3
235.16856	18.1
237.16354	4.5
239.17960	4.3
241.19505	12.4
243.17386	3.5
243.21063	6.8
247.16953	16.4
249.18480	8.0
251.17857	2.9
253.19666	4.2
255.21048	2.6
257.22659	8.1
259.16827	3.0
259.20618	10.2
261.18561	22.5
265.19461	2.3
267.21115	7.6
269.19193	2.3
269.22656	3.6
273.18463	2.3
291.21329	2.3
299.19922	2.9
303.23120	7.5
321.25842	3.9
347.27374	2.7
367.26602	3.1
375.30530	4.1
377.31915	3.9
387.30396	10.1
393.31683	23.4
394.31870	3.4
405.31516	62.1
406.31799	6.2
407.33008	8.4
421.31107	14.9
423.32587	29.6
424.33176	3.9
433.31046	29.1
434.31497	3.9
439.32187	16.0
440.32227	2.7
441.33557	3.2
451.32062	97.4
452.32629	13.7
469.33215	34.8
470.33328	4.1
487.34061	7.3
631.37805	4.6
684.22314	4.3
685.23572	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	684.4314
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46195	2.5
52.30255	2.4
55.05505	11.6
57.00202	2.9
57.03434	5.2
57.07078	4.8
57.10252	2.3
67.05503	15.8
69.03421	10.2
69.07070	17.3
70.52029	4.5
70.63278	2.7
71.65205	2.7
79.05479	18.7
81.03422	2.7
81.07050	35.7
83.04967	6.1
83.08601	9.8
85.02908	26.0
85.06547	4.3
91.05476	23.8
92.98621	2.9
93.07042	57.7
95.04957	2.9
95.08599	73.0
97.02889	10.1
97.06516	6.8
97.10167	4.0
99.04428	4.1
101.67068	3.0
103.05448	5.0
105.07035	51.9
107.08590	81.5
109.06526	5.9
109.10144	36.5
111.08099	7.6
111.20578	3.2
115.05476	4.2
117.07014	9.4
119.08577	100.0
121.06499	3.3
121.10147	57.3
123.08067	13.4
123.11720	10.3
125.09649	5.9
127.03873	7.1
128.06219	4.8
129.07007	8.3
130.07823	3.4
131.04953	2.6
131.08565	40.7
133.10120	65.3
135.08047	6.2
135.11699	28.1
137.09557	6.4
141.06941	3.2
142.07793	9.0
143.08565	26.4
145.04968	7.2
145.10132	58.9
147.08075	7.8
147.11687	47.8
148.11974	2.9
149.09608	13.6
149.13266	15.4
155.08464	3.3
156.09348	7.6
157.10110	37.2
158.10826	7.5
159.11690	44.3
161.09604	16.9
161.13255	29.7
162.07651	5.0
163.07442	3.1
163.11206	4.3
163.14824	30.9
164.08345	4.6
165.12683	2.8
167.10706	8.5
169.10156	13.6
170.10884	9.5
171.11667	34.0
172.12402	5.7
172.93251	2.8
173.09709	3.4
173.13251	59.4
174.13550	3.2
175.11171	6.3
175.14832	29.1
177.09106	3.8
177.12762	5.1
177.16400	44.3
179.10596	4.2
180.08696	9.9
182.10899	7.6
183.11714	10.2
184.12437	7.8
185.13261	32.0
187.14819	77.1
188.15198	4.9
189.12753	15.8
189.16385	57.8
190.16679	3.5
191.14336	31.2
191.17981	14.7
195.11755	3.3
196.12396	3.4
197.13261	47.3
198.13589	3.1
199.14819	59.7
201.12604	3.5
201.16374	35.3
203.14291	11.3
203.17964	41.1
205.15900	7.8
205.19521	3.6
209.15277	6.2
211.14796	11.0
213.16393	62.7
214.16711	5.4
215.14343	30.8
215.17896	30.7
217.15892	43.5
217.19334	4.2
219.17476	5.9
221.15337	4.5
223.14821	4.5
225.16405	10.2
227.17917	4.7
229.15894	6.1
229.19496	3.5
231.13730	3.6
231.17421	9.8
233.15395	7.9
235.16956	10.0
239.17986	6.0
241.06729	2.6
241.19495	15.9
243.17523	4.8
243.21027	6.8
247.16934	11.5
249.18495	11.6
253.19513	4.1
255.21046	3.7
257.22653	12.9
259.16940	14.9
259.20587	15.9
261.18454	9.7
267.21017	22.1
269.22839	3.2
273.18539	2.7
303.23306	13.3
325.10693	9.3
341.24609	4.8
377.31891	3.2
387.30545	14.6
389.32108	6.0
393.31448	9.5
405.31519	48.0
406.31876	8.3
407.33148	19.9
421.30963	8.3
423.32559	34.0
424.32953	4.3
425.34024	8.3
426.34644	3.1
433.31076	31.5
439.31989	8.9
451.32071	56.3
452.32272	9.7
459.34802	5.1
469.33124	40.2
470.33646	6.2
530.18842	5.7
562.21472	5.2
613.36871	6.6
631.38507	17.4
673.51184	3.3
684.36298	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	684.4309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	15.4
57.03457	3.3
64.19846	2.8
67.05513	15.9
67.34486	3.0
69.03451	4.4
69.07064	12.3
69.19492	22.9
70.30981	2.9
73.04752	5.4
77.76971	2.6
79.05496	14.9
80.46714	3.2
81.03423	3.7
81.07061	28.4
83.04984	7.4
83.08633	9.3
85.02898	17.2
91.05428	16.7
93.07042	34.8
94.40505	2.9
95.04979	3.2
95.08597	36.9
97.02917	3.2
99.20162	3.1
105.07018	38.8
107.08587	49.8
109.06533	6.1
109.10168	24.3
111.08080	4.7
116.11678	3.5
117.07050	7.8
119.08587	43.8
121.06532	6.5
121.10154	34.6
123.04449	4.4
123.08084	4.7
123.11732	9.0
129.06923	3.4
130.07866	3.0
131.08543	32.8
133.10110	32.8
135.08063	7.1
135.11685	12.9
137.06065	4.3
137.09631	5.2
142.07800	4.7
143.08559	14.4
145.10104	51.2
147.08032	4.6
147.11665	32.5
149.09669	5.4
149.13269	13.4
155.08575	4.7
156.09436	3.6
157.10129	30.4
159.11708	36.6
161.09709	9.4
161.13264	13.4
163.11194	12.0
163.14833	21.2
169.10161	12.3
171.11671	26.2
172.12198	3.4
173.13277	24.3
174.13646	5.0
175.11174	9.8
175.14882	12.6
177.16388	3.8
181.05008	8.8
181.10161	3.6
181.12268	8.4
183.11653	17.3
185.13258	29.7
187.14799	21.3
189.12750	6.2
189.16319	8.1
191.14355	7.2
193.12259	7.4
195.11786	3.5
197.13222	14.6
199.14799	18.2
201.16380	12.4
203.14349	9.0
203.17978	7.6
205.15898	5.5
209.13344	5.5
209.15303	4.1
211.14906	8.2
213.16374	7.3
215.14450	5.6
215.17905	5.9
217.15918	5.7
223.14774	7.3
225.16365	6.8
227.17998	5.1
229.16019	4.8
237.16406	3.4
243.17419	5.7
249.16147	3.8
249.18532	5.0
251.18011	4.1
255.20972	7.9
257.22736	4.6
269.22882	3.6
281.19058	5.4
284.13126	3.4
326.87613	3.2
355.26642	4.2
365.37463	3.8
375.30438	4.0
384.64478	3.5
393.31909	4.9
405.31479	24.8
421.30789	14.7
423.32626	33.9
424.32968	7.8
429.08441	3.9
433.31232	20.4
439.32089	22.9
441.33466	8.5
451.32083	100.0
452.32483	14.5
457.33063	5.2
459.34735	50.3
460.34851	5.4
469.33066	55.7
470.32495	3.6
487.34198	27.5
505.35410	18.7
506.35565	4.1
532.43610	3.5
631.80139	3.4
684.22766	17.1
685.23352	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	684.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88599	3.3
55.05518	15.1
57.07075	5.1
67.05499	19.6
69.03452	6.0
69.06790	18.9
69.07166	13.2
71.56054	3.6
79.05502	17.8
81.07053	50.6
83.04994	8.4
83.08631	14.4
85.02891	18.8
91.05460	29.3
93.07047	56.2
93.73593	3.6
95.04993	4.9
95.08604	71.8
95.85843	3.1
97.02901	8.2
97.06541	5.1
99.08092	19.2
105.07025	69.6
107.08588	92.3
109.02910	4.0
109.06552	7.9
109.10172	34.3
111.08085	7.6
117.07003	7.8
119.08573	100.0
121.10152	49.1
123.08054	8.2
123.11689	21.3
125.09631	41.6
127.03905	5.0
129.06967	8.3
131.08563	68.4
133.10139	65.1
133.33823	3.8
135.08044	5.5
135.11684	26.4
137.06001	4.7
137.09619	4.2
142.07848	5.3
143.08519	22.5
145.10112	88.3
147.11673	55.2
149.13268	13.2
151.03926	7.1
151.07520	6.6
157.10121	34.4
159.11691	52.1
161.09607	5.8
161.13271	26.8
162.07715	6.0
163.11111	4.7
163.14868	12.9
167.07053	5.4
169.10156	10.6
170.10959	6.2
171.11681	24.4
173.09676	4.2
173.13260	50.5
175.14833	41.3
177.12665	4.9
177.16356	29.3
180.08621	4.2
183.11722	14.4
184.12520	4.9
185.13264	41.2
187.14816	98.7
188.15164	4.8
189.16417	23.7
191.14355	15.9
193.15767	4.4
197.13280	16.7
199.14827	45.2
201.16380	64.4
203.14311	28.5
203.18036	11.9
205.15862	76.1
206.16180	4.9
207.17453	11.1
209.13329	4.1
209.15317	5.2
211.14732	19.2
213.16374	39.9
215.14386	8.6
215.17979	5.7
217.15878	9.1
219.17415	21.7
221.15404	4.1
225.16432	10.0
227.17915	10.5
231.17505	9.6
237.16357	5.1
245.15414	11.4
247.16925	8.6
249.14890	6.8
253.19400	5.3
255.21173	4.8
259.17041	10.4
267.21164	11.7
283.20538	4.4
288.08783	4.3
325.10846	3.8
341.24405	6.2
377.32205	6.3
387.30447	8.8
393.31516	6.6
395.33185	5.9
405.31506	88.4
406.31671	8.3
407.33090	8.3
421.30759	6.5
423.32626	45.3
424.32626	4.8
433.30966	33.0
439.31952	15.1
441.33575	16.3
451.25845	6.0
451.32083	93.2
452.32190	13.3
469.33167	74.4
470.33667	10.1
631.37708	7.4
684.26672	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	684.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64194	2.8
53.03956	2.7
55.05514	12.0
57.07066	3.0
63.66104	2.3
64.35635	2.4
67.05510	14.8
67.44228	2.8
68.86662	2.7
69.03432	6.7
69.07077	14.4
69.75854	2.4
70.32552	3.1
70.32880	6.7
71.67923	2.4
79.05499	13.6
81.03407	4.5
81.07060	43.8
83.04983	7.7
83.08619	8.0
84.80338	2.6
85.02892	8.0
91.05464	22.0
93.07038	38.0
95.04981	5.6
95.08614	51.1
97.02879	3.4
97.06546	4.0
97.10186	5.0
98.22597	3.0
103.05419	2.7
105.07035	55.3
107.04987	3.4
107.08607	41.0
109.06490	4.3
109.10157	25.2
111.08090	5.2
117.07024	10.1
119.04959	3.1
119.08590	71.3
120.08916	4.1
121.06527	7.6
121.10160	35.6
123.08134	3.0
123.11711	14.8
125.09627	9.8
129.07034	2.7
131.08563	47.2
132.08932	3.7
133.06572	3.9
133.10129	43.8
135.08022	3.8
135.11685	17.0
137.06010	4.2
137.09598	5.5
143.08575	10.7
145.04988	5.4
145.06381	3.1
145.10126	71.1
146.10490	4.2
147.04407	6.1
147.11693	40.6
149.09596	8.0
149.13275	26.2
151.03893	4.2
156.09312	4.4
157.10141	19.7
158.11134	3.7
159.11699	51.1
161.05931	3.9
161.09610	6.0
161.13275	23.7
162.07545	2.9
163.07523	3.9
163.11176	3.8
163.14844	25.3
165.09167	4.6
167.07144	3.2
169.10138	7.2
170.10846	3.3
171.11661	15.6
173.13258	54.5
175.11205	3.1
175.14850	47.2
176.15337	2.6
177.12808	3.7
177.16376	21.5
180.08713	3.4
181.05090	2.8
183.11639	5.5
184.12450	4.5
185.13309	14.9
187.14833	100.0
188.15169	4.0
189.16388	27.1
191.14339	38.8
191.17966	10.5
197.13289	6.4
199.14816	24.9
201.16406	93.5
202.16664	6.0
203.14352	22.3
203.17970	72.4
204.18370	5.5
205.15884	64.2
206.16167	3.9
209.15399	23.5
211.14804	5.0
213.16347	14.8
215.14438	4.2
215.17953	10.1
217.15904	11.4
219.13838	5.9
219.17451	7.8
221.15344	17.1
223.16949	3.1
225.16393	3.2
227.18115	4.9
231.17439	5.8
233.18880	4.5
239.16220	6.0
241.19547	4.4
245.15381	4.1
247.16914	26.0
265.19464	2.7
313.11777	4.7
314.12280	3.1
325.10608	5.1
342.11615	3.5
345.25732	3.4
373.13858	9.6
374.14221	10.5
375.30536	5.7
387.30298	5.8
393.31647	8.3
405.31595	43.4
406.31860	7.3
407.33060	12.6
421.31097	4.6
422.30984	3.2
423.32809	19.7
425.34006	4.9
433.31290	13.3
439.32037	5.5
441.33792	63.1
442.33780	8.5
443.35281	8.9
446.65320	3.2
451.32144	70.4
452.32248	11.9
469.33347	6.7
487.34546	21.2
488.34592	3.2
505.82584	3.5
652.26160	3.5
684.29456	19.6
685.28278	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	684.4314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.7
53.72915	1.2
55.01885	1.4
55.05508	8.5
57.03440	1.5
57.07070	2.1
61.02930	2.1
65.03938	1.8
65.64810	1.3
67.05501	12.3
69.03423	6.3
69.07069	15.4
69.65296	7.7
71.79604	1.2
74.36053	1.1
79.05489	11.9
81.03427	4.5
81.07053	34.7
83.04975	7.2
83.08195	1.4
83.08611	7.8
83.09034	1.1
83.61650	1.2
85.02901	17.5
85.06544	1.3
90.21979	1.3
91.05461	19.8
93.07038	28.2
95.04940	3.1
95.08598	52.5
96.08908	1.7
96.13070	1.2
97.02863	7.2
97.06518	3.7
97.10168	4.1
98.22659	1.8
99.04427	1.6
103.05531	2.1
105.07024	54.7
106.07368	2.3
107.05005	2.4
107.08588	44.6
109.02882	2.8
109.10149	26.9
109.10880	1.8
111.08100	4.2
117.07011	11.1
119.04952	8.6
119.08577	64.9
120.08920	2.0
121.06504	6.9
121.10138	30.8
123.08057	4.8
123.11695	12.6
124.11998	1.5
125.09628	3.5
127.03920	4.1
128.06201	2.3
129.06999	3.9
130.07773	1.9
131.08549	47.8
132.08937	1.9
132.67595	1.2
133.10121	49.8
135.08070	3.7
135.11697	16.0
137.06007	4.1
137.09634	2.8
137.13255	1.3
142.07794	5.0
143.08539	9.0
144.06583	1.5
145.04968	3.8
145.10114	64.7
146.10522	1.6
147.04417	7.9
147.07999	2.4
147.11681	33.7
148.12007	1.8
149.09592	2.7
149.13234	13.3
151.03903	2.5
153.01785	1.6
155.08589	2.7
156.09395	2.6
157.10101	16.1
158.10883	1.8
159.11687	38.5
160.12259	2.4
161.05954	2.0
161.09593	7.5
161.13245	26.8
162.07587	3.7
162.13617	2.4
163.07507	2.2
163.11157	4.0
163.14804	29.0
164.15134	1.8
167.07057	2.9
169.10126	4.0
170.10909	3.0
171.11653	10.7
172.12518	2.7
173.13257	47.6
174.13654	1.9
175.03931	15.4
175.07605	1.2
175.11227	2.7
175.14818	36.6
176.15131	1.8
177.12790	4.0
177.16380	24.9
179.10780	1.7
180.08632	8.9
183.11728	5.7
185.13249	14.1
186.13829	2.0
187.14806	92.4
188.15150	5.2
189.12790	7.5
189.16368	25.8
190.16600	1.5
191.14296	40.6
191.17940	14.7
193.15894	3.1
197.13295	4.0
199.14799	19.4
201.13080	1.7
201.16371	73.3
202.16739	5.0
203.14305	20.8
203.17943	100.0
204.14642	1.8
204.18323	3.8
205.15858	48.8
205.19510	2.3
206.16200	2.7
207.06519	25.8
207.17444	4.4
209.13361	2.6
209.15344	41.9
210.15770	3.3
211.14885	4.2
213.16374	11.9
215.14299	4.0
215.17924	7.5
217.15833	9.0
217.19504	2.4
219.13808	5.6
219.17496	4.3
221.13412	2.4
221.15343	14.0
223.14888	2.3
223.16826	3.3
225.16415	2.5
227.17958	3.5
229.15918	3.8
229.19566	2.8
231.17473	4.9
231.21193	2.1
233.19006	4.9
235.16942	5.8
239.16196	7.3
241.19595	2.0
243.17377	2.4
247.16908	10.0
249.18565	2.8
251.17928	1.8
257.18964	2.2
259.17062	1.9
302.04089	1.6
317.06723	6.9
375.30588	1.9
377.32001	2.6
387.30396	3.7
389.32202	3.2
391.12677	10.3
393.31430	4.6
395.33029	2.8
405.31534	20.3
406.31848	1.7
407.33163	15.8
408.33508	2.4
421.31073	3.9
423.15195	4.6
423.32629	10.3
425.34109	7.8
433.30988	5.8
439.32126	4.5
441.33517	4.0
443.35214	13.3
451.32153	23.9
452.32248	2.8
459.34625	3.0
469.33133	5.4
487.34201	3.7
562.21204	2.3
653.25739	2.5
684.36023	3.6
685.36688	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	686.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.9
55.01874	3.5
55.05509	1.0
57.03439	5.4
58.20080	0.5
59.05000	0.6
60.04528	1.2
61.02927	8.5
65.03932	0.8
67.05496	1.7
69.03430	20.7
69.07077	1.2
69.46243	3.3
71.04984	2.7
73.02916	3.2
79.05495	2.0
81.03419	9.1
81.07051	2.6
83.01342	0.8
84.00134	0.5
85.02905	100.0
86.03251	1.5
87.04480	1.9
89.33585	0.6
91.03961	4.7
91.05468	4.8
91.05894	0.4
92.05812	1.0
93.07058	2.9
95.04987	2.0
95.08601	3.2
96.04490	0.8
97.02895	31.4
97.10186	0.8
98.03247	0.7
98.06063	2.3
99.04458	4.4
103.05460	9.9
104.06263	1.9
105.04549	0.8
105.07027	3.3
107.04951	14.8
107.08606	1.7
108.04536	0.9
108.05262	0.7
109.02879	9.7
109.06538	0.8
109.10155	1.8
115.03918	1.4
115.05469	2.2
117.07034	0.7
119.04926	4.9
119.08587	1.0
120.05236	0.7
121.06513	1.4
121.10155	1.9
123.04434	3.3
123.11724	0.9
126.05521	1.8
127.03915	23.1
131.04927	10.4
131.08577	0.9
132.05727	1.3
133.06505	4.4
133.10127	0.8
135.04417	4.0
135.08057	4.6
135.11705	1.7
137.05981	8.0
143.08537	0.6
144.06572	5.7
145.04959	35.8
145.10143	0.6
146.05309	0.7
147.04427	5.4
147.08076	1.2
147.11653	1.0
148.04892	1.2
149.05978	11.5
149.13245	0.7
151.03976	2.5
151.07564	1.1
151.14827	0.7
153.01872	1.9
153.05501	0.5
157.10071	0.8
160.69121	0.5
161.05978	66.1
162.06355	3.0
162.07645	3.8
163.03923	1.7
163.06047	11.7
163.07565	31.5
163.14870	0.8
164.08337	46.6
165.05482	6.9
165.08942	2.9
166.05772	0.5
167.07068	1.8
172.33459	0.5
173.13222	0.8
175.03906	5.1
175.07541	4.6
176.04268	1.7
177.05544	1.2
178.09875	0.9
179.07039	1.7
179.08521	0.6
180.08681	3.3
181.05009	1.1
181.08551	1.0
189.05444	4.3
191.10635	0.6
193.08607	0.8
199.40295	0.5
203.07033	52.2
204.07271	2.5
205.04828	0.7
205.12180	1.7
207.06522	11.9
207.17313	0.6
208.06824	3.9
217.12314	0.5
221.08083	48.5
222.08424	2.7
233.08083	0.8
245.08014	0.8
267.10114	1.8
285.11209	10.0
286.11594	0.7
309.11020	1.1
317.06583	6.9
318.06812	5.4
324.12698	2.5
327.12256	74.5
328.12659	6.0
345.13309	11.2
345.17227	1.0
346.13544	1.2
362.16122	0.7
538.46216	0.6
637.80914	0.6
641.24512	0.6
685.37445	1.2
686.38440	2.6
687.37531	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58211	0.4
52.78673	0.3
53.03944	1.4
55.01867	2.6
57.03437	4.5
60.04521	0.6
61.02923	6.5
62.91618	0.3
64.63902	0.3
68.30848	0.3
69.03426	13.7
70.03754	0.4
71.01373	0.3
71.04989	2.1
73.02911	2.2
79.05492	0.8
81.03414	7.5
83.01332	0.5
84.04494	0.7
85.02900	72.8
86.03230	1.1
87.04475	1.4
91.03955	3.2
91.05466	0.9
93.07022	0.5
95.04967	0.7
96.04483	0.8
97.02887	23.5
97.66508	0.3
98.03236	0.5
98.06055	1.6
99.04458	2.9
103.03967	0.6
103.05460	12.9
104.06252	0.9
105.07011	1.3
107.04958	3.9
109.02872	5.6
113.14267	0.3
115.03921	0.8
115.05466	0.9
119.04951	1.5
121.06480	1.8
123.04427	3.0
126.05532	1.4
127.03907	16.8
128.04245	0.6
129.07036	0.4
131.04918	16.2
132.05676	1.1
133.06473	2.8
135.04395	3.2
135.08029	2.5
137.05968	7.7
143.04881	0.5
144.06564	4.9
145.04950	25.2
146.05347	0.6
147.04416	1.2
147.08101	0.7
148.05228	1.4
149.05969	13.1
151.03914	0.8
157.06534	0.4
161.05968	38.5
162.06389	1.4
162.07626	3.2
163.03960	1.6
163.06026	7.3
163.07539	17.2
164.08325	42.8
165.05476	6.6
165.08861	2.3
167.06987	0.4
175.07559	2.3
177.05444	0.4
179.07095	1.7
180.08786	1.7
181.04968	0.5
181.08722	0.3
189.05432	7.6
203.07021	32.4
204.07262	1.7
204.39360	0.3
205.04781	1.9
207.06516	3.5
207.08203	0.5
218.83812	0.4
221.08081	12.8
221.10211	0.7
227.07008	0.5
235.07549	0.7
239.10759	0.5
253.08603	0.4
257.11380	0.4
267.10175	2.0
285.11179	19.6
286.11475	1.2
306.11823	0.5
309.11179	1.5
324.12830	1.9
327.12231	100.0
328.12595	6.4
342.13934	0.4
345.09045	0.5
345.13269	9.0
345.17230	0.6
346.13498	0.7
349.63684	0.5
351.12143	0.4
362.15939	0.4
431.50336	0.4
585.90851	0.4
686.25250	1.8
690.22510	0.5
694.75891	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58211	0.4
52.78673	0.3
53.03944	1.4
55.01867	2.6
57.03437	4.5
60.04521	0.6
61.02923	6.5
62.91618	0.3
64.63902	0.3
68.30848	0.3
69.03426	13.7
70.03754	0.4
71.01373	0.3
71.04989	2.1
73.02911	2.2
79.05492	0.8
81.03414	7.5
83.01332	0.5
84.04494	0.7
85.02900	72.8
86.03230	1.1
87.04475	1.4
91.03955	3.2
91.05466	0.9
93.07022	0.5
95.04967	0.7
96.04483	0.8
97.02887	23.5
97.66508	0.3
98.03236	0.5
98.06055	1.6
99.04458	2.9
103.03967	0.6
103.05460	12.9
104.06252	0.9
105.07011	1.3
107.04958	3.9
109.02872	5.6
113.14267	0.3
115.03921	0.8
115.05466	0.9
119.04951	1.5
121.06480	1.8
123.04427	3.0
126.05532	1.4
127.03907	16.8
128.04245	0.6
129.07036	0.4
131.04918	16.2
132.05676	1.1
133.06473	2.8
135.04395	3.2
135.08029	2.5
137.05968	7.7
143.04881	0.5
144.06564	4.9
145.04950	25.2
146.05347	0.6
147.04416	1.2
147.08101	0.7
148.05228	1.4
149.05969	13.1
151.03914	0.8
157.06534	0.4
161.05968	38.5
162.06389	1.4
162.07626	3.2
163.03960	1.6
163.06026	7.3
163.07539	17.2
164.08325	42.8
165.05476	6.6
165.08861	2.3
167.06987	0.4
175.07559	2.3
177.05444	0.4
179.07095	1.7
180.08786	1.7
181.04968	0.5
181.08722	0.3
189.05432	7.6
203.07021	32.4
204.07262	1.7
204.39360	0.3
205.04781	1.9
207.06516	3.5
207.08203	0.5
218.83812	0.4
221.08081	12.8
221.10211	0.7
227.07008	0.5
235.07549	0.7
239.10759	0.5
253.08603	0.4
257.11380	0.4
267.10175	2.0
285.11179	19.6
286.11475	1.2
306.11823	0.5
309.11179	1.5
324.12830	1.9
327.12231	100.0
328.12595	6.4
342.13934	0.4
345.09045	0.5
345.13269	9.0
345.17230	0.6
346.13498	0.7
349.63684	0.5
351.12143	0.4
362.15939	0.4
431.50336	0.4
585.90851	0.4
686.25250	1.8
690.22510	0.5
694.75891	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45212	2.5
55.05515	12.3
55.47244	2.5
57.03430	12.0
57.07066	4.7
59.05006	3.9
61.02906	3.1
63.22714	2.5
67.05154	5.6
67.05504	100.0
69.03394	3.3
69.07047	11.5
69.20586	20.8
71.04982	4.4
79.05492	24.7
81.07051	40.0
83.04980	4.8
83.08617	15.1
85.02896	4.9
85.06523	4.5
91.05453	16.8
91.25850	2.4
92.23714	2.3
93.07028	31.9
94.70498	2.7
95.04949	3.9
95.08595	31.3
97.06520	4.1
97.10164	4.4
105.07014	8.6
107.08549	11.7
108.08921	2.6
109.10148	76.1
111.08033	3.8
116.69289	3.2
117.07037	4.6
119.08566	11.1
121.10149	12.7
123.11685	4.9
131.08501	4.0
133.10132	5.8
135.11652	12.1
137.09657	4.8
145.10152	5.5
147.11601	4.8
149.13254	7.3
153.09134	2.8
155.10745	5.5
161.13210	4.1
173.11711	18.9
173.13113	4.3
187.14809	2.9
216.54712	3.0
216.81248	2.6
227.12689	3.0
229.12167	5.3
229.14343	69.8
243.20966	6.0
261.22092	11.3
314.80792	2.5
317.24872	3.3
335.25772	45.2
391.31982	2.7
472.23804	2.8
489.29150	3.3
489.35828	28.9
686.38800	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	686.447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.0
55.01849	2.2
55.05509	16.4
57.03426	10.0
57.07067	3.7
58.57222	1.6
59.04981	3.1
59.38552	1.4
61.02905	3.5
65.03933	2.4
67.05500	100.0
68.05825	2.5
69.03410	2.9
69.07059	10.0
71.04982	4.0
71.08642	2.0
71.34050	2.0
79.05491	26.6
81.07050	46.4
82.07375	2.1
83.08603	9.8
84.17982	1.6
85.02895	3.9
85.06541	4.0
91.03935	2.1
91.05453	18.4
93.07040	25.9
95.08603	30.1
96.08955	1.6
97.02880	2.0
97.06533	2.1
97.10156	3.8
105.07007	10.5
107.08583	17.0
109.06477	2.0
109.10149	69.5
111.08099	3.8
117.07019	3.3
119.08585	13.0
121.10152	15.0
123.11677	5.6
125.09576	2.8
131.08557	4.7
133.10107	5.9
135.08076	2.1
135.11700	12.0
137.09625	2.7
137.13182	2.8
145.10091	4.9
147.11707	6.7
149.06033	1.9
149.13271	5.2
151.11197	1.9
155.10709	4.2
159.11720	5.8
161.13283	2.5
163.07539	3.1
163.14822	4.1
173.11742	20.3
173.13188	3.0
181.02570	1.6
187.14818	3.4
203.10591	2.0
227.12761	4.0
229.14320	93.9
230.14705	3.6
243.21092	6.2
261.22131	19.7
262.22598	1.7
276.30139	1.8
317.24640	3.1
335.25757	78.9
336.26001	5.4
348.97528	1.8
430.14502	2.0
489.35730	48.3
490.36182	8.6
507.36743	2.0
649.42908	8.1
650.43268	13.5
651.43469	3.4
686.38092	29.4
687.39050	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	686.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14985	2.2
53.03941	4.6
55.01875	3.0
55.05500	13.1
57.03433	6.3
61.02915	8.7
63.25558	1.9
64.25710	1.9
64.83849	2.2
67.05495	21.6
67.90726	2.0
69.03427	21.8
69.07052	15.0
69.24850	16.4
71.04980	5.3
78.84795	2.2
79.01859	4.4
79.05483	17.4
81.03420	11.5
81.07058	55.0
82.04649	2.0
83.01343	2.1
83.08614	8.0
85.02402	4.4
85.02903	72.1
91.03946	5.3
91.05476	19.3
91.36703	2.2
93.07044	42.9
94.07342	2.3
95.04953	5.9
95.08604	69.6
97.02892	26.5
97.10168	4.8
98.13754	2.0
99.04418	4.6
103.05462	11.5
105.07027	46.4
106.07321	3.4
107.04934	4.5
107.08589	58.7
109.02843	8.4
109.06538	3.9
109.10152	49.4
110.10481	4.7
111.04490	2.3
111.08068	6.4
115.05413	3.0
117.07019	6.4
119.04970	2.9
119.08577	54.2
121.06465	3.6
121.10143	41.1
123.04423	2.3
123.08035	2.5
123.11727	16.1
125.02357	3.1
125.09617	3.6
127.03898	20.7
129.06998	6.7
131.04913	7.8
131.08562	23.7
133.06502	2.6
133.10123	39.1
135.08084	2.8
135.11703	34.3
136.11996	3.2
137.05983	23.0
137.09535	3.2
137.13235	4.8
139.11162	4.5
143.08559	11.5
144.06520	2.8
144.09157	2.7
145.04958	20.6
145.10112	33.3
147.04428	3.4
147.11678	34.8
148.12115	2.3
148.59406	2.3
149.06017	5.7
149.09628	2.3
149.13252	50.4
150.13487	2.4
151.03922	8.4
151.07487	2.9
153.01828	43.9
153.03030	2.9
155.08510	3.1
157.10162	15.8
159.08055	3.2
159.11710	31.2
160.12256	3.4
161.05969	64.5
161.09537	2.0
161.13268	32.9
162.06334	4.4
162.07593	4.6
163.06117	4.5
163.07558	9.8
163.11243	3.6
163.14825	16.1
164.08319	8.9
165.09050	3.3
167.07080	4.1
169.10120	6.4
171.11696	12.9
173.13257	19.9
175.07524	13.4
175.14824	18.2
177.05525	5.7
177.12723	2.4
177.16360	31.2
179.14279	5.3
180.08662	7.3
181.10159	2.9
183.11732	8.5
185.13264	20.4
187.14810	26.3
188.15134	2.2
189.12796	4.7
189.16380	56.8
190.16707	3.1
191.14265	5.5
191.17935	12.9
193.15968	3.1
195.11646	3.5
195.17462	2.6
197.13318	4.8
199.14857	18.1
201.12813	2.2
201.16371	21.5
203.07007	26.3
203.10587	2.0
203.14352	4.1
203.17938	29.3
205.12180	2.7
205.15846	11.3
205.19557	4.4
207.06499	3.1
207.13878	2.4
207.17450	45.1
207.19260	1.8
208.17848	3.7
211.14880	4.4
213.16325	10.1
215.17876	8.2
217.12239	7.2
217.15916	15.6
217.19562	7.4
219.13832	3.9
219.17410	8.5
221.08047	6.8
221.15398	4.2
223.14871	3.3
225.16335	4.4
227.17923	6.6
229.04745	3.3
229.15759	3.2
229.19537	7.3
231.13863	4.2
231.17458	5.6
231.21065	3.5
233.08054	36.2
233.15248	4.9
233.19096	2.9
234.08824	6.4
237.16396	4.0
239.17970	5.8
241.19518	3.7
243.21008	2.6
245.08104	18.1
245.15445	5.8
245.19032	7.0
247.09732	2.7
247.16954	3.7
249.07494	3.7
253.08635	3.1
253.19670	3.9
255.21080	2.4
257.07959	3.0
259.20630	4.3
261.07504	3.5
263.09128	31.3
267.10217	5.5
269.19180	2.5
275.09167	3.7
275.16418	4.7
285.11261	7.3
285.18384	2.6
287.09033	8.9
291.10153	5.4
299.09207	2.6
305.09842	2.8
309.11246	5.1
309.25879	2.6
317.10330	4.9
325.10544	3.9
327.12238	32.3
328.12955	3.3
329.10187	6.0
343.22580	2.8
345.13315	100.0
346.13635	9.2
347.11176	6.9
349.28732	8.5
365.12180	6.8
367.29895	10.8
371.25848	3.0
385.30884	7.3
389.32016	6.4
395.28928	13.9
395.33795	4.4
407.33246	32.4
408.33548	3.3
415.10049	5.6
423.32672	4.7
425.34637	17.3
435.32944	26.3
436.32584	3.3
441.33755	4.6
443.30972	4.7
453.33856	86.7
454.34143	11.3
461.32581	4.9
471.35297	23.2
472.35205	4.9
489.36172	11.4
517.13416	6.5
535.14551	15.5
535.73633	2.4
686.51868	7.5
687.15424	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	686.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38503	1.7
53.03939	5.9
55.01868	2.8
55.05510	14.2
57.03439	9.2
57.07071	4.3
58.81639	1.8
61.02921	10.5
64.82239	1.8
65.03923	2.5
66.33300	1.9
67.05500	23.4
69.03428	25.7
69.07060	20.6
69.59661	2.3
69.72620	9.0
70.70787	1.9
71.04975	4.1
73.02935	2.1
78.37935	1.7
79.01835	2.8
79.05491	18.0
81.03413	10.3
81.07053	62.5
83.08624	11.8
85.02901	99.4
87.04469	2.7
91.03942	2.5
91.05464	28.6
93.07042	51.2
93.07613	3.6
94.07354	2.2
95.04971	4.1
95.08599	94.1
96.08912	4.4
97.02893	27.4
97.06510	2.2
97.10184	4.3
99.04438	6.4
99.08118	1.9
103.05489	3.8
105.04513	2.1
105.07023	57.7
106.07303	2.5
107.04975	3.8
107.08588	83.2
108.08930	3.1
109.02882	6.9
109.06535	2.5
109.10153	58.5
110.10463	2.1
111.08080	4.2
115.05389	2.2
117.06984	10.1
119.04956	2.8
119.08575	68.6
120.08917	3.1
121.06516	4.6
121.09272	3.3
121.10139	67.9
122.10475	2.9
123.04441	2.9
123.08068	2.6
123.11704	27.0
125.02367	3.2
127.03908	16.8
128.06180	2.8
129.07030	7.6
131.08563	36.6
133.06454	3.4
133.10118	59.1
134.10446	3.5
135.08067	4.5
135.11690	51.2
136.11974	2.1
137.05988	15.2
137.09587	4.0
137.13237	15.4
139.11165	2.3
143.03424	4.8
143.08568	11.5
144.06529	3.3
145.04939	21.5
145.10117	55.4
146.10518	2.2
147.04414	3.8
147.08080	2.4
147.11684	51.8
148.12047	1.9
149.06001	2.5
149.09601	3.3
149.13254	41.6
151.03908	6.7
151.07567	4.5
151.11201	4.1
151.20267	1.8
153.01825	59.8
153.02899	3.7
153.05424	2.4
155.08531	3.4
157.10146	12.1
158.10870	2.0
159.11687	45.1
160.12103	2.2
161.05975	7.7
161.09660	3.3
161.13255	50.2
162.07596	6.1
163.06068	4.3
163.07564	7.8
163.11179	15.2
163.14815	25.2
165.09100	9.9
165.12749	3.1
167.07030	8.6
169.10144	3.1
171.08011	4.3
171.11676	20.7
173.13266	32.4
174.06813	3.3
174.13684	2.6
175.07533	6.2
175.14819	35.9
176.15186	2.5
177.05489	5.0
177.09117	7.1
177.12756	4.8
177.16376	53.5
178.16815	2.9
179.14360	7.8
180.08661	20.8
181.04942	7.4
181.08679	6.0
183.11693	6.6
185.13243	18.4
187.14819	48.9
188.15207	4.3
189.09053	14.2
189.12735	3.9
189.16382	76.1
190.16769	4.9
191.14256	4.6
191.17928	18.6
193.08615	5.4
193.15894	5.4
197.13277	5.4
199.14816	16.3
201.16383	60.0
203.07051	3.6
203.10619	8.0
203.14272	5.2
203.17929	23.8
205.15868	96.4
206.16232	6.6
207.06525	5.6
207.17450	26.4
208.17830	2.0
211.14789	4.9
213.16315	9.5
215.17950	12.1
217.08646	12.1
217.12192	12.0
217.15858	7.2
217.19514	6.4
219.17436	31.5
221.08095	3.9
221.11655	2.4
221.15382	2.6
223.16975	3.2
225.16420	2.2
227.17952	6.9
229.05038	3.6
229.15907	2.9
229.19563	5.5
230.05769	2.8
231.17401	3.6
233.08083	12.2
233.15437	2.5
233.19032	3.4
234.08868	3.1
239.18037	2.7
241.19376	2.0
243.20990	2.1
244.42305	2.4
245.08090	48.2
245.15311	6.2
245.19067	2.9
247.16978	6.6
255.21150	3.3
257.18912	2.1
259.09625	4.3
259.20364	2.0
263.06369	2.4
263.09125	44.3
263.12442	3.0
265.17923	4.3
267.21173	3.2
268.07321	2.3
273.11288	2.6
273.22095	2.2
275.16373	3.3
283.09726	2.5
285.22263	2.3
287.09167	7.4
311.09479	2.4
313.25211	3.5
315.12366	3.1
327.12286	2.2
327.15720	4.4
329.10129	12.0
343.15411	2.7
345.16800	2.3
347.11432	4.5
349.28912	9.0
365.12207	4.9
367.29938	79.9
368.30182	10.4
385.26202	3.2
385.30978	33.2
389.32184	11.0
395.29156	5.4
395.33600	8.7
397.34692	3.0
402.16605	5.6
403.17407	10.6
407.33057	93.5
408.33142	10.3
415.10165	5.9
423.32352	2.2
425.34158	98.2
426.34494	11.7
427.32156	2.5
435.32648	11.7
441.33432	8.6
443.30310	2.6
443.35339	18.6
444.35352	3.0
453.33603	100.0
454.34009	14.9
471.34702	29.0
472.34900	3.3
477.21118	14.1
489.29153	2.5
489.35748	29.1
490.36169	4.3
506.38315	5.9
517.13428	5.2
535.14447	4.1
557.48792	2.4
629.50415	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.1553
Annotation	Kunzeachromone B
Peak:m/z	Relative Intensity
50.01604	1.1
51.02383	1.4
53.03952	0.5
55.01881	1.1
55.05508	0.6
65.03941	0.5
67.01879	0.5
67.05502	1.5
68.99798	0.6
69.03426	2.5
69.07063	0.8
71.04974	0.8
71.32049	0.6
79.01850	10.1
79.05506	1.1
81.03422	1.7
81.07063	2.4
85.02907	3.2
85.03342	0.5
91.05488	2.1
93.07056	1.5
95.04967	0.8
95.08593	2.3
96.22195	0.5
97.02881	2.9
105.07024	2.1
106.07391	0.6
107.01321	2.4
107.04961	0.8
107.08604	2.3
109.02896	1.7
109.10149	1.6
117.07054	0.7
117.75497	0.4
119.04908	0.7
119.08612	2.2
119.09312	0.4
121.02840	0.5
121.06522	0.8
121.10178	1.1
123.04469	0.8
123.11691	0.9
125.02351	4.6
125.09576	0.5
127.03892	1.1
129.06999	0.6
131.04906	0.7
131.08563	1.2
133.06555	0.5
133.10138	1.7
135.11681	1.0
137.05960	2.9
143.03406	9.8
145.04987	0.5
145.10135	1.4
147.04395	1.1
147.11742	0.8
149.05963	0.9
149.13248	1.0
151.03914	2.1
151.07536	0.8
153.01828	100.0
153.02922	6.9
154.02153	1.9
157.06450	0.5
157.10130	0.6
159.11737	0.6
161.06030	2.3
161.13301	0.7
162.06421	0.6
163.03882	1.0
163.07480	0.6
164.08298	0.5
165.01837	2.0
165.05476	0.8
167.07080	2.5
171.02908	0.8
173.13281	0.8
175.03900	0.6
175.07515	1.3
175.14873	0.8
177.05470	1.3
177.09106	1.1
177.16418	0.6
178.09912	0.6
181.04988	1.4
183.02856	0.5
185.13206	0.5
187.03839	1.0
187.14789	0.7
188.15077	0.4
189.05377	0.6
189.09000	0.5
189.16383	1.2
190.06238	0.5
191.03401	0.7
191.06972	0.5
191.10976	0.4
193.08665	2.4
195.02914	0.5
201.16444	0.7
203.06999	1.5
203.10614	0.5
203.18030	0.6
204.07381	0.7
204.18394	0.6
205.04837	0.9
205.08655	2.4
206.09343	3.8
207.09969	0.5
207.17462	0.7
209.08124	1.3
211.09685	0.5
215.06982	0.5
217.04993	2.6
217.08588	1.1
218.05745	4.0
218.09242	0.6
219.06583	2.3
220.07318	3.0
221.08090	3.8
221.11600	0.5
227.06966	1.3
229.04840	0.7
230.05771	2.0
231.06523	1.1
231.10193	1.3
233.08089	55.5
234.08838	23.0
235.09496	2.0
241.04863	0.5
241.08499	0.7
243.02965	0.9
245.08098	18.4
245.11797	0.7
246.08629	0.9
247.06042	2.1
247.09676	2.0
248.06786	4.8
249.07333	0.5
255.05022	1.8
255.10136	2.3
257.08096	1.9
258.08789	3.3
259.06003	1.6
259.09659	3.9
261.03934	0.7
261.07657	3.7
263.09146	91.5
264.09494	5.9
265.12198	0.6
269.08069	2.9
271.05997	0.9
271.09555	1.1
272.06790	0.6
273.07892	1.0
273.11176	7.1
275.09216	1.3
277.10913	0.5
283.09595	4.7
285.07648	0.9
285.11176	1.3
287.09122	13.1
299.09225	1.5
301.10666	4.2
305.10239	1.1
311.09134	7.6
312.09412	0.7
317.10184	6.3
318.10666	0.5
319.12280	0.6
327.12167	1.2
328.12543	1.6
328.44589	0.5
329.10175	41.9
330.10498	4.1
345.13290	0.5
347.11240	13.7
348.11374	0.8
365.12314	13.2
366.12573	1.0
383.13284	2.0
406.32025	0.5
407.50589	0.5
439.10181	2.2
443.34790	0.9
453.33017	0.9
481.11343	2.6
490.17169	0.7
495.94543	0.5
499.12344	6.5
500.12549	0.8
517.13422	28.2
518.13782	2.8
535.14539	6.4
536.14514	0.5
553.68427	0.4
669.13995	1.3
687.15540	11.7
687.26678	1.0
688.15167	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.1553
Annotation	Kunzeachromone A
Peak:m/z	Relative Intensity
51.02382	1.0
53.00317	0.5
53.03946	2.8
54.04278	0.7
55.01867	4.9
55.05525	1.1
57.03441	6.1
59.04995	0.5
60.04509	0.9
60.41264	0.5
61.02636	0.8
61.02926	11.3
62.03263	0.6
65.03936	0.7
67.01859	0.6
67.05509	1.3
69.03432	17.6
69.07072	1.0
70.03765	2.2
71.04995	4.5
72.05344	0.7
73.02918	3.8
79.01859	4.6
79.05495	1.7
81.03419	10.9
81.07059	2.3
83.01354	0.7
84.04482	0.9
85.02905	100.0
86.03240	12.1
87.03313	0.6
87.04469	1.5
91.03965	3.9
91.05460	4.0
92.99760	1.3
93.07042	2.5
93.52475	0.5
95.04964	2.0
95.08598	2.3
96.04495	0.7
97.02894	32.2
98.03230	4.7
98.06049	1.9
98.23446	1.1
99.04460	5.2
101.02370	1.1
103.03955	0.8
103.05466	17.4
104.05759	4.4
105.07027	5.4
106.07346	0.9
107.01309	1.2
107.04955	6.3
107.08592	2.0
108.04457	0.6
108.05296	0.9
109.02882	10.8
109.06571	0.6
109.10147	1.3
110.03226	1.4
111.40884	0.5
113.06006	1.4
115.03910	1.5
115.05489	1.7
117.07044	1.2
119.04918	4.5
119.08587	1.8
120.05306	0.8
121.06503	2.1
121.10158	1.8
122.06898	0.9
122.36841	0.6
123.04415	4.4
123.11714	0.7
124.04787	0.7
125.02357	2.5
126.05500	1.5
127.03915	21.6
128.04254	4.2
131.04929	17.9
131.08551	0.7
132.05205	4.4
133.06551	3.1
133.10161	2.0
134.06812	0.7
135.04413	4.9
135.08046	4.6
135.11668	1.1
136.08388	1.0
137.05972	13.4
138.06297	2.5
139.03879	0.6
143.03400	5.0
143.04967	1.1
144.06537	6.2
145.04967	30.2
145.06705	1.2
145.10103	1.1
146.05310	6.0
147.04402	4.0
147.08052	1.8
147.11679	0.6
148.05157	1.1
149.02303	0.8
149.05994	17.0
149.09549	1.0
150.06334	5.8
151.03908	2.4
151.07567	2.0
153.01834	55.0
153.02934	3.7
154.02202	1.4
159.04491	0.8
161.05980	45.2
161.09613	1.6
162.06331	15.3
162.07629	2.8
163.03893	2.3
163.06038	9.0
163.07555	19.7
163.11240	1.1
164.04263	1.0
164.08336	50.0
165.01939	0.6
165.05502	8.3
165.08662	16.9
166.05782	2.0
167.07089	1.1
175.03952	0.6
175.07588	3.9
175.14850	0.7
176.07964	1.2
177.05441	1.2
179.07057	5.2
179.08528	0.9
180.07381	1.3
180.08707	2.2
181.04984	1.4
181.08707	0.7
187.14851	0.7
189.05428	8.5
189.09114	1.6
190.05797	3.2
191.07080	1.0
199.03836	0.9
201.16226	0.6
202.06277	1.0
203.07033	37.8
203.34839	0.6
204.07372	17.2
205.04970	1.3
205.08650	1.0
207.06544	4.3
208.06895	2.0
211.07549	0.6
212.08281	0.6
214.53096	0.6
215.03284	0.6
215.07007	0.8
217.05087	1.1
217.08595	11.9
217.10515	1.1
218.05731	2.9
218.09015	0.9
219.06470	1.3
220.07251	2.6
221.08070	16.4
222.08401	7.2
223.06078	2.1
225.08774	0.9
227.10614	0.7
229.05025	2.0
229.08626	1.1
230.05753	3.3
230.09407	1.0
231.06442	0.6
231.10078	3.4
233.08078	43.7
234.08733	7.3
235.98378	0.6
236.07878	0.9
239.06996	1.1
239.10591	1.2
240.07820	2.2
241.08669	0.9
244.07362	1.6
245.08096	15.7
245.11736	7.9
246.08319	0.7
247.06015	2.3
247.09662	1.1
248.06721	1.2
255.04945	2.7
255.10175	8.5
256.10556	0.6
257.08096	3.8
258.08929	4.9
259.05945	0.7
259.09653	6.4
261.07571	2.0
263.09152	69.5
264.09457	3.2
267.06616	0.9
267.10193	2.1
268.07611	1.1
268.10468	1.5
269.07999	1.8
271.05981	0.8
271.09592	1.8
273.11212	23.8
274.11548	1.8
283.09607	11.2
284.09958	0.7
285.07986	0.9
285.11166	16.9
286.11530	14.0
287.09125	7.1
288.09558	1.2
289.09299	0.7
295.06049	1.0
296.06696	0.7
299.09091	4.3
301.07312	1.0
301.10364	2.7
309.11047	1.1
310.11490	1.7
311.09134	24.5
312.09442	1.5
317.10168	4.9
319.04453	1.3
324.12943	2.5
325.13239	0.9
327.12259	78.6
328.12613	74.4
328.15671	1.4
329.10153	82.7
330.10507	5.9
345.13318	6.8
346.13644	8.0
347.11191	5.3
365.12253	1.3
439.10004	0.9
481.11224	1.5
499.12115	2.5
517.13513	7.2
535.14172	0.8
549.12897	0.6
659.61121	0.7
669.14764	1.4
687.37836	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	687.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.49725	1.6
61.88926	2.0
67.05501	3.1
69.31972	9.0
69.32391	4.2
72.08162	4.9
79.05494	2.0
81.07048	2.2
84.97490	1.7
86.09724	3.7
90.89213	1.7
91.75391	2.0
95.04998	1.8
95.08670	2.7
103.72424	1.9
109.58125	1.9
120.08118	8.5
137.05986	2.1
138.45619	1.7
141.29570	1.7
179.84744	1.9
181.05008	3.1
201.05144	2.6
254.03877	1.9
257.14783	2.3
354.42474	2.1
450.12729	2.6
509.43927	1.9
687.29724	100.0
688.30078	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.386
Annotation	Unknow
Peak:m/z	Relative Intensity
61.31055	0.2
62.63361	0.3
67.05518	0.3
68.47814	0.3
69.61815	1.5
71.52272	0.2
81.07056	0.5
82.16244	0.3
93.07041	0.5
95.08585	0.6
145.10193	0.3
193.04997	0.4
217.04692	0.3
375.43381	0.3
401.50430	0.3
493.33206	1.1
643.39490	0.6
687.38617	100.0
688.38965	17.9
705.40131	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.8
57.07072	0.7
67.05510	2.9
69.07082	1.5
71.31734	0.5
71.32076	0.4
72.42128	0.4
72.46687	0.4
79.05513	1.5
79.30358	0.4
79.30796	0.4
81.07066	4.1
83.08629	1.2
85.06544	0.5
86.09737	0.6
87.69629	0.4
91.05491	1.5
92.05839	0.4
93.07050	2.4
95.08622	3.1
97.10193	0.8
101.92957	0.4
105.07056	1.4
107.08626	1.6
109.10180	1.3
111.04447	0.5
111.08073	0.8
117.07032	0.4
119.05035	0.4
119.08598	1.5
121.10166	1.5
123.08104	0.9
123.11769	0.4
124.99985	0.6
125.09630	0.8
129.06963	0.5
131.08630	1.0
133.10187	1.2
135.11761	1.3
137.06004	0.9
138.64696	0.4
145.10156	1.7
147.11792	0.5
151.07574	0.8
153.05463	0.5
153.09044	0.4
159.11731	0.7
173.09679	1.0
179.93098	0.4
184.07341	2.7
189.05211	5.7
189.06638	0.5
203.10741	1.2
205.12265	3.3
220.48122	0.4
233.04207	20.7
234.04681	0.4
261.22256	0.4
274.06918	0.5
365.17410	1.3
388.60876	0.4
451.17374	0.7
477.33722	0.7
495.23123	0.5
505.22049	0.5
518.73792	0.4
669.30273	7.8
670.30963	1.4
687.38849	100.0
688.39246	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.4
55.05519	1.4
55.55971	0.4
57.07072	0.9
67.05501	2.5
69.07072	2.0
70.06591	0.7
71.31873	0.5
79.05488	2.0
81.03422	0.5
81.07063	3.6
82.79828	0.3
83.08619	1.0
85.06553	0.4
88.07641	0.9
91.05473	2.4
93.07044	3.0
95.04967	0.7
95.08612	3.4
97.10179	0.5
99.04518	0.4
102.09215	0.5
105.07026	2.0
107.04971	0.5
107.08573	1.8
109.02897	0.7
109.06537	0.5
109.10166	1.7
111.04511	0.5
117.07007	0.4
119.08585	1.4
121.10178	1.4
123.08115	1.4
123.11692	0.8
125.09648	0.8
129.06938	0.4
131.05031	0.4
131.08578	0.9
132.08969	0.3
133.10156	1.0
135.08090	0.7
135.11732	1.1
137.05933	1.7
137.09653	0.8
139.07535	0.4
139.11205	0.4
145.10150	1.5
147.11691	0.8
149.02385	1.2
149.06050	0.5
149.09630	0.4
149.13245	0.5
151.03937	1.6
151.07581	1.3
153.09148	0.4
159.08104	0.8
159.11714	0.6
161.13341	0.4
163.07529	0.6
163.11229	0.6
165.09114	0.6
165.12822	0.5
173.05803	2.3
173.09654	0.3
173.13338	0.7
177.09174	0.4
179.07068	0.5
184.07416	1.1
187.14912	0.5
193.04982	1.1
194.05475	0.4
201.16342	0.6
203.10709	1.2
203.17972	0.5
215.18050	0.5
217.04817	1.2
219.10263	1.2
220.06915	0.3
221.11763	0.6
227.12778	0.7
235.05717	2.8
261.22256	0.5
279.23209	0.9
284.29544	1.1
285.29907	0.9
299.12961	0.4
385.09225	0.5
412.98636	0.4
429.11609	0.9
430.12244	0.6
438.34653	0.5
451.17139	0.4
493.33392	0.4
634.40625	0.8
669.38739	0.5
687.38684	100.0
688.38983	16.7
691.46765	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.5
67.05513	1.3
69.07083	1.5
69.42965	3.4
70.79977	0.6
71.68219	0.7
74.09659	0.7
79.05517	1.8
81.07074	2.2
83.08635	0.9
87.53366	0.6
91.05481	0.8
91.37568	0.7
93.07056	2.1
95.08631	2.4
95.43672	0.7
97.10189	0.6
100.99362	0.7
105.07071	1.4
107.08595	1.9
109.10165	1.5
115.25337	0.6
119.08637	1.8
121.10162	1.5
125.09628	0.8
132.56470	0.7
133.10202	1.1
137.05908	0.8
137.09692	0.9
145.10170	1.1
149.13307	0.7
153.42201	0.8
163.03935	0.8
180.01053	0.6
184.07195	0.6
191.03264	0.8
202.88243	0.6
449.34286	1.0
467.31650	0.8
467.49542	0.6
489.29694	4.8
643.39539	12.2
644.40479	2.9
669.33875	1.6
685.02344	0.8
687.38672	100.0
688.38849	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	687.4063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93926	1.0
55.05517	7.8
56.05014	1.4
57.05813	1.4
57.07090	1.0
58.54276	0.9
67.05495	1.5
71.32716	1.8
72.08150	88.7
73.08479	1.7
79.05470	1.7
81.07047	1.5
84.04495	5.3
84.42191	1.1
86.09698	60.0
91.05432	1.3
93.07032	2.2
95.08611	1.2
102.05530	10.0
103.05422	2.6
105.07021	1.8
112.11202	1.2
114.09100	1.0
114.25461	1.0
120.08095	100.0
121.08414	3.0
126.12794	7.7
131.04900	2.6
137.05978	1.1
138.09157	1.7
138.60193	1.1
140.14337	12.6
156.10168	3.6
170.11731	1.2
171.14917	9.6
174.12785	5.7
179.84346	1.0
183.11301	5.9
185.16493	17.6
186.09114	3.6
188.14348	2.4
199.14412	9.1
201.12292	12.9
204.10162	2.0
211.10699	2.2
213.15974	15.4
219.14903	11.7
220.15143	1.2
225.19583	1.1
229.11768	7.1
233.16493	2.5
239.21249	6.1
242.08098	1.0
247.14426	7.5
249.12320	12.7
250.12613	1.4
255.16995	2.3
267.20697	3.9
277.11801	17.0
279.17072	1.3
283.16510	1.5
287.21234	2.3
298.21243	1.3
302.51163	1.1
303.16971	3.9
310.17422	2.1
312.22781	7.4
328.18628	4.5
330.18066	1.5
331.16333	3.2
358.17416	1.2
360.22742	2.3
366.27393	1.2
376.18604	11.8
378.23907	4.4
383.30099	1.8
390.20374	1.2
395.26511	2.8
409.24265	2.3
411.29523	1.5
414.27554	1.8
423.26001	8.6
430.23267	3.9
441.26846	3.1
447.25964	3.0
457.24408	1.4
459.29477	1.3
471.25735	1.3
475.25702	6.8
476.25491	1.4
489.26770	4.6
494.33356	1.9
522.32532	4.9
525.30597	2.5
529.29907	3.4
540.33679	1.5
542.33514	1.6
543.31305	4.2
560.33746	2.7
570.32422	3.0
574.32245	2.8
588.33911	6.9
642.38080	4.7
659.41449	5.3
659.92053	1.2
669.39789	1.5
687.39423	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	688.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31226	0.4
53.03938	0.6
55.01861	0.7
55.66159	0.4
57.03448	0.5
58.99579	0.6
71.00225	0.7
72.08141	0.5
79.05496	3.8
82.85759	0.4
85.02914	0.5
91.05444	2.5
93.07028	0.7
95.04948	0.8
103.05470	2.1
105.07029	18.0
106.07368	0.9
107.04974	2.0
107.08595	0.7
109.06523	1.3
115.05463	1.1
118.04155	2.6
119.04921	1.4
121.06529	1.3
121.10218	0.3
122.07291	0.7
131.04887	0.9
132.05682	1.1
133.06485	16.0
134.07016	0.4
134.58765	0.4
135.04413	1.0
135.08060	2.0
137.05974	20.7
138.06291	0.7
147.04356	2.9
148.05168	0.4
149.06026	0.5
150.06775	7.1
151.07489	1.4
153.05447	1.6
161.05966	1.5
161.07288	0.4
165.09109	15.8
167.06975	0.6
175.07506	0.9
178.06216	1.5
179.07042	2.9
181.05107	0.5
181.08539	0.6
193.08597	100.0
194.09007	4.9
195.10112	0.6
196.07416	0.5
211.09647	16.9
212.09953	1.0
278.88654	0.4
315.08905	2.8
355.15280	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.2
53.10326	0.4
59.17960	0.5
69.03414	0.9
70.65144	1.4
75.56040	0.4
77.03940	0.4
79.05492	4.4
81.03405	0.9
81.07060	0.6
85.02896	3.2
91.05472	3.9
93.07043	3.3
95.04945	1.6
97.02877	1.2
103.05469	2.3
105.07014	4.0
107.04961	10.8
109.02857	0.6
115.05459	1.2
117.07008	3.6
119.04932	0.8
121.06503	5.3
122.03645	0.7
123.04398	1.5
124.05219	2.1
125.05946	0.8
127.03897	0.6
128.06229	1.8
129.06989	1.6
130.07774	5.2
131.04939	0.7
133.06458	0.5
135.04480	0.4
135.08051	0.6
136.52992	0.4
137.05952	4.8
138.06689	0.7
139.07578	0.7
141.06976	0.7
142.07790	0.8
143.08549	14.3
144.05724	0.7
144.08905	0.7
145.06483	1.1
145.10115	37.5
146.10443	1.9
147.04416	0.8
149.03963	0.5
149.05936	1.4
151.03879	1.6
151.07483	1.0
152.04669	1.1
153.06969	1.2
155.08543	9.0
156.08862	0.7
156.52550	0.5
157.06511	0.8
158.07260	31.6
159.07784	2.0
161.06026	0.8
161.09514	0.7
163.07474	1.2
165.05478	0.8
165.09093	0.9
166.06230	3.6
167.07028	45.2
168.07346	1.7
171.08023	2.0
172.08749	0.6
173.09610	68.1
174.09985	3.3
175.07532	0.7
177.05467	1.3
180.08734	0.8
181.08582	40.1
182.08923	2.0
183.09227	4.1
186.06754	5.9
187.07416	0.5
189.09094	1.8
195.10170	5.8
201.09088	100.0
202.09450	5.2
203.06973	0.8
207.10072	0.7
218.09271	2.2
219.09975	0.6
233.11708	91.4
234.12038	5.4
248.39587	0.6
280.42123	0.5
299.08951	0.6
311.12683	0.7
387.17975	37.4
387.99835	0.4
388.18427	4.2
453.95920	0.5
509.70206	0.4
607.42065	0.5
688.26740	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.1
54.04255	0.3
54.10912	0.3
55.01873	6.7
55.05512	10.9
57.03438	7.8
57.07042	1.0
59.05003	2.7
61.02923	3.6
65.03909	0.7
67.05506	8.5
69.03429	1.6
69.07069	3.4
69.47565	1.8
71.01317	0.9
71.04988	2.3
73.02885	0.9
79.05490	15.1
80.05817	0.3
81.03416	8.9
81.07056	12.3
83.01339	7.9
83.04979	8.9
83.08135	0.5
83.08616	8.4
85.02906	5.8
85.06520	0.8
86.09272	0.3
86.09712	3.9
91.03931	1.2
91.05476	8.7
91.49134	0.3
93.07043	19.1
94.07356	0.7
95.04970	5.2
95.08043	0.4
95.08605	5.7
97.02892	3.3
97.06521	3.5
97.10151	1.4
98.23347	0.4
99.04445	2.2
99.08107	0.4
103.05425	0.8
105.04510	0.4
105.06367	0.4
105.07024	7.1
107.04278	0.3
107.04959	6.7
107.08594	10.6
108.08909	0.4
109.02842	0.5
109.06517	6.7
109.10162	1.7
111.04436	2.1
111.08048	1.0
115.05421	0.5
117.07018	5.8
119.08582	6.5
120.08046	1.1
120.08824	0.4
121.06500	2.9
121.10142	6.1
122.10427	0.4
123.04432	0.6
123.08064	6.7
124.08352	0.4
125.05980	1.5
125.09589	1.2
127.03915	0.4
129.07005	1.4
130.07773	1.5
131.04884	0.5
131.08568	2.6
133.06448	0.4
133.10104	1.9
135.08029	1.9
135.11688	9.2
136.12013	0.4
137.05946	0.8
137.09586	1.1
139.07504	0.6
143.08522	0.5
145.06465	0.8
145.10120	12.6
146.10429	0.4
147.08063	1.7
147.11668	0.6
149.05931	0.5
149.09558	0.8
151.03844	1.0
151.11241	0.3
153.12732	2.0
155.08540	1.0
157.13336	0.3
161.09610	0.3
161.93643	0.3
163.11179	19.1
164.11537	0.7
165.09091	0.3
173.09605	3.0
181.12238	2.6
185.12799	0.6
189.09070	0.4
189.12685	0.3
191.10692	2.3
199.18184	0.3
204.10953	0.3
205.12129	0.4
209.11725	6.1
210.12123	0.4
211.11372	0.3
227.12749	3.2
227.17604	0.4
233.16403	0.4
253.33839	0.3
283.15387	100.0
284.15717	7.3
298.21268	0.3
381.29016	0.3
411.29623	0.3
491.26367	44.5
492.26663	5.1
558.37048	0.4
688.36700	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.7
53.03935	2.4
53.12751	0.7
55.01876	6.5
55.05513	10.4
57.03439	8.0
57.07064	1.4
59.04993	1.4
61.02922	1.5
63.79355	0.7
65.03947	1.0
65.10055	0.6
67.05504	15.5
67.54564	0.6
69.03419	2.4
69.07066	4.6
71.01341	0.7
71.04993	4.1
71.31351	0.8
71.31778	1.1
73.02915	1.4
79.05054	1.3
79.05494	20.9
81.03410	8.1
81.07054	19.4
83.01346	4.5
83.04980	8.3
83.08610	9.1
85.02882	3.0
85.06561	1.1
86.09700	8.9
91.03944	0.8
91.05474	11.3
93.07040	27.5
95.04971	7.4
95.08607	18.5
97.02858	3.5
97.06510	4.1
97.10158	1.8
99.04433	3.4
103.05453	1.0
105.07024	9.0
107.04955	7.1
107.08598	19.1
108.08930	0.9
109.06528	4.0
109.10133	3.7
111.04433	2.7
111.08076	1.4
115.05408	1.1
117.07010	8.2
119.08580	10.3
120.08132	3.7
121.06507	5.3
121.10134	11.1
123.08071	5.8
125.05980	2.8
125.09682	1.1
127.03898	1.1
127.30197	0.6
128.06282	0.8
129.06992	1.8
130.07733	1.4
131.04950	0.8
131.08588	2.3
132.00430	0.6
133.06496	1.0
133.10150	3.6
135.04317	0.6
135.08031	2.7
135.11693	27.4
136.12045	1.2
137.05969	3.8
137.09587	3.2
137.13255	0.8
139.07578	1.6
143.08539	1.6
145.08978	1.4
145.10118	20.6
147.04330	0.7
147.08038	1.6
147.11606	1.0
149.06033	0.6
151.03917	5.5
151.04974	1.1
151.07518	1.4
152.04207	0.8
153.12766	1.8
155.08521	0.7
157.06563	0.7
161.05966	1.9
161.09604	0.8
163.07608	1.1
163.11176	39.4
164.11536	2.9
165.09114	0.8
166.07666	0.6
167.06883	0.8
171.11517	0.8
173.09625	2.5
181.12248	5.9
183.07999	0.7
185.13139	0.7
191.10695	2.1
199.18150	1.3
206.04480	1.2
209.11620	3.7
227.12758	35.1
227.17496	1.3
228.13153	1.9
233.16641	1.1
253.08423	1.0
257.07828	0.8
267.10001	0.9
283.15387	100.0
284.15756	7.1
299.09018	2.8
299.12244	0.8
300.09393	1.2
491.26358	67.9
492.26517	8.7
632.09180	0.8
688.35974	3.3
689.36469	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	688.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.4
55.01871	3.2
55.05508	22.3
57.03432	12.5
57.07077	2.0
59.04984	1.9
61.02908	2.0
65.03947	4.2
67.05502	57.7
69.03414	6.0
69.07071	11.5
69.56237	7.4
71.04976	4.7
73.06568	2.3
73.27612	1.6
77.03915	2.9
79.05488	75.8
81.03417	59.3
81.03900	2.9
81.06570	2.6
81.07052	51.2
83.02203	1.5
83.04521	2.5
83.04976	21.9
83.08614	18.3
85.02913	15.2
85.06537	3.3
86.09691	9.5
91.05472	72.5
92.05809	2.3
93.07042	73.6
95.04962	35.0
95.08605	28.3
97.02865	4.1
97.06526	8.0
97.10177	6.1
98.23269	3.3
99.08144	2.3
103.05450	3.1
105.04517	2.0
105.07025	51.5
106.07343	1.7
107.04953	11.9
107.08586	19.1
109.06525	8.5
109.10149	7.0
111.08072	8.0
113.05997	2.9
115.05464	3.3
117.07032	8.5
119.08578	35.1
120.08112	3.7
120.08889	2.2
121.06509	5.3
121.10143	12.0
123.08070	7.6
123.11709	2.1
127.07533	3.2
128.06221	4.0
129.06999	21.8
131.08554	13.2
132.08992	1.5
133.06493	6.0
133.10124	17.9
135.08060	1.9
135.11702	3.5
137.05933	11.5
138.06334	1.7
142.07802	3.7
143.08578	9.1
145.10115	10.4
147.08060	3.6
147.11670	42.3
148.04834	1.6
149.09616	5.1
151.03865	6.0
151.04997	1.8
151.07547	2.7
153.01895	1.4
157.10123	11.7
157.17638	1.4
161.05978	1.8
161.09554	3.6
161.13266	6.8
163.03920	3.1
163.07516	3.3
164.08304	2.1
165.12680	1.7
165.34561	1.6
167.06981	2.1
171.08139	1.7
171.11667	22.8
173.09590	2.2
175.07542	4.6
175.11165	11.8
181.05054	1.5
189.12732	8.6
193.12234	29.3
203.10704	2.9
205.08632	2.1
205.12262	7.3
207.13809	33.7
211.11369	1.5
211.13269	32.1
212.13574	2.2
243.13626	9.7
267.10233	1.9
267.15918	34.8
281.17456	100.0
282.17783	7.8
283.15369	2.5
285.16946	34.2
299.09488	2.1
299.12537	8.0
347.39185	1.6
367.18915	8.9
473.28934	80.8
474.29453	9.6
491.30078	89.9
492.30353	9.5
561.88037	1.8
583.44440	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.6
55.01873	6.0
55.05514	21.0
56.26886	2.2
57.03440	13.8
61.02930	3.2
65.03937	3.8
67.05502	47.0
69.03434	3.3
69.07068	8.3
69.27202	8.0
69.27634	9.5
71.04990	7.3
79.05492	73.0
80.05844	3.3
81.03413	57.7
81.07059	45.4
83.04990	17.4
83.08616	25.2
85.02898	21.4
85.06541	3.8
86.09708	6.2
91.05479	71.3
93.07040	63.4
95.04964	39.8
95.08608	26.5
97.06534	5.1
97.10197	6.1
102.12498	2.2
103.05451	3.5
105.07035	49.7
107.04964	9.9
107.08595	13.3
109.06515	10.0
109.10117	2.8
111.08087	9.1
113.06091	2.3
114.43230	2.3
117.07031	6.7
119.08581	36.5
120.08150	2.6
120.08961	3.7
121.06525	3.9
121.10160	15.9
123.08088	8.2
123.11733	2.3
125.09619	3.5
129.07005	24.3
131.08553	10.9
133.06482	3.9
133.10115	16.8
135.11707	3.2
137.05988	7.6
142.07829	3.8
143.08583	5.5
145.10138	8.8
147.08076	4.7
147.11681	31.7
149.05968	2.8
149.09590	6.5
150.09969	2.4
151.03960	8.3
151.07526	3.3
157.10121	15.0
159.08041	2.3
161.06036	2.1
161.09695	3.3
161.13251	6.6
165.12785	2.7
171.11674	20.6
175.07561	3.2
175.11168	11.7
186.40373	2.4
189.12799	7.7
193.12241	34.9
203.10677	3.0
205.12280	3.7
207.13864	23.2
211.13289	43.9
211.15138	3.8
212.13622	2.7
220.85214	2.4
241.34070	2.6
243.13846	4.1
267.15887	40.2
268.16180	3.3
281.17453	56.7
282.17880	3.9
285.16974	38.7
286.17279	3.3
299.12534	5.1
367.19266	4.1
473.28967	100.0
474.29355	9.2
491.30048	80.7
492.30151	10.1
580.75348	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	688.463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	3.0
55.05515	19.1
57.03429	12.5
57.07063	8.6
59.04982	5.0
61.02929	5.2
67.05160	6.7
67.05502	100.0
67.45564	2.7
69.07069	18.5
69.21213	6.7
69.21619	21.1
71.05000	4.6
71.08595	2.6
79.05501	17.1
81.07057	52.2
83.08613	13.7
89.06026	4.3
91.05488	14.5
93.07037	18.5
95.08604	34.8
97.10161	5.9
98.23267	4.7
105.07013	5.1
107.08583	13.0
109.10154	81.1
119.08588	10.5
121.10151	8.2
123.11700	10.5
133.08554	3.4
133.10129	5.9
135.11623	5.0
137.09601	4.2
145.10107	3.4
147.11606	3.5
161.13263	4.2
167.07013	6.7
173.11719	14.4
178.71996	3.3
187.55544	2.8
229.14330	89.0
230.14708	3.9
263.23569	5.5
285.54724	3.4
297.68567	3.3
337.27341	78.0
338.27530	8.4
491.37308	79.0
492.37720	11.8
554.38806	3.0
573.48694	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	688.4626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.6
53.30202	1.3
54.22090	1.4
55.05508	14.3
57.03434	11.1
57.07077	4.8
59.05001	1.9
61.02929	5.3
65.03933	2.5
65.94710	1.3
67.05503	100.0
69.07069	13.3
70.74576	1.4
71.05003	4.1
71.08635	2.3
73.02904	1.9
79.05475	11.6
81.03414	1.5
81.06573	2.4
81.07050	41.2
81.07507	2.4
82.07366	2.0
83.08627	12.0
85.02913	3.6
85.06553	2.2
86.09709	2.6
91.05479	12.5
93.07039	13.7
95.04993	1.5
95.08607	31.5
97.06522	2.2
97.10167	3.0
105.07045	4.8
107.08595	6.9
109.10154	73.1
110.10491	2.5
111.08091	2.9
111.11724	2.0
119.08556	9.1
121.10165	7.7
123.11761	4.0
124.99946	2.3
131.08633	1.4
133.10179	4.0
135.11662	3.5
137.09595	3.2
147.11668	2.9
149.13290	2.5
155.10741	4.4
159.26355	1.5
161.13307	2.2
173.11746	18.2
184.07353	8.9
229.14333	79.8
230.14711	4.5
236.66920	1.6
245.22723	1.6
256.45361	1.6
263.23801	4.1
293.21725	1.5
311.25934	1.8
337.27338	53.6
338.27661	4.5
491.37320	43.0
492.37717	5.5
618.62335	1.6
688.44220	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.4911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51309	11.4
55.05524	15.9
57.07058	29.4
59.84005	9.6
67.05501	37.3
69.07064	23.3
71.08625	25.0
71.31845	18.7
79.05488	31.6
79.78191	10.5
81.07056	46.1
81.59699	9.8
83.08606	20.6
85.10157	11.3
90.05355	10.9
91.05417	13.4
91.05822	13.7
93.07032	29.8
95.08607	47.4
98.98499	11.7
105.07040	20.8
107.08656	11.4
109.10175	20.3
121.10132	14.0
130.08350	11.3
133.10144	10.6
256.56281	12.2
280.28583	10.1
355.06760	12.0
573.48877	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.35
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.0
55.01860	0.4
55.05513	1.6
57.03433	1.3
61.02929	2.6
67.05494	4.5
69.03429	2.4
69.07069	1.8
69.20541	3.4
70.03701	0.4
71.04976	0.5
73.02924	2.0
76.32785	0.4
79.05495	6.4
81.03411	2.1
81.07053	4.2
83.04990	1.3
83.08620	1.2
85.02903	3.4
85.06540	0.5
87.04487	0.4
91.03937	2.2
91.05474	4.9
93.07034	5.5
95.04982	1.6
95.08596	3.5
97.02891	3.0
97.06514	0.5
97.10177	0.8
99.04421	0.5
100.11221	0.5
101.02378	1.0
101.16958	0.3
105.07024	4.2
107.04973	0.6
107.08570	1.8
109.02868	0.5
109.06554	0.5
109.10178	1.1
117.07020	1.1
119.08566	3.2
121.10123	1.0
123.08067	0.7
125.09669	0.5
127.03905	1.0
127.84415	0.4
129.07013	1.9
133.10161	1.5
134.84102	0.4
135.11713	0.6
137.06006	0.7
143.08582	0.9
145.10133	1.5
147.08060	0.5
147.11685	3.0
159.11742	0.5
161.13284	1.0
167.07005	0.5
171.11671	2.3
189.12822	0.7
207.13860	0.5
226.13539	0.4
243.08376	1.9
247.13083	1.7
303.15787	1.2
465.20947	13.3
466.21295	1.5
490.37112	0.4
492.56717	0.4
569.27502	0.4
689.34979	100.0
690.35303	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	689.349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	2.0
57.03425	1.0
61.02917	2.6
64.34063	0.7
65.03938	0.7
67.05503	4.5
69.03419	1.8
69.07070	1.6
71.04973	0.7
73.02898	2.5
79.05478	5.8
81.03393	1.9
81.07034	4.1
83.04987	1.0
83.08636	0.8
85.02895	3.7
87.04470	0.7
91.03947	1.4
91.05471	5.4
93.07031	5.7
95.04997	1.6
95.08601	3.4
97.02898	2.2
97.10166	1.2
101.02372	1.0
105.07007	4.2
107.08578	1.6
109.02895	0.7
109.10135	1.0
119.08588	2.1
121.10167	0.9
129.06972	1.5
133.10132	1.1
143.08501	0.8
145.10048	1.1
147.11658	3.5
161.13219	1.4
166.71565	0.6
171.11691	2.3
184.07437	0.8
207.13858	1.1
237.03664	0.9
243.08424	2.4
247.13083	1.5
409.81448	0.6
419.22482	0.7
465.20905	13.2
466.21329	1.3
574.48962	0.8
689.34943	100.0
690.35297	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76404	1.5
51.77545	1.8
53.88558	1.6
55.05499	2.2
57.07086	1.7
59.61332	1.9
61.28607	1.7
67.05499	7.8
69.07059	3.9
69.40206	5.7
69.40630	5.8
79.05483	4.1
81.07050	5.7
91.05450	5.2
93.07043	6.8
95.04964	2.6
95.08588	7.8
96.21973	1.8
105.07036	7.1
105.42189	1.9
107.08600	7.8
109.10121	2.7
116.90190	1.6
119.08572	5.7
121.10116	3.5
131.08505	2.8
133.10117	4.6
147.11699	3.8
173.11766	1.6
173.13269	2.8
175.14828	3.6
179.96758	1.6
185.13280	1.7
193.08591	2.9
203.03125	7.8
247.16550	2.0
268.59653	1.7
273.14633	4.8
286.15335	3.0
399.30203	4.5
409.19727	3.7
421.65503	1.8
429.31274	8.3
437.19095	3.2
443.28766	3.1
461.30435	14.2
491.31268	17.3
492.31766	2.2
609.35394	15.9
610.35461	3.0
627.36267	6.0
671.35413	100.0
672.35773	17.9
689.36328	32.4
690.36438	5.6
712.37616	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	689.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
70.93588	0.9
81.03423	0.9
85.02915	0.7
91.05476	1.2
105.07004	0.6
107.04925	1.0
121.02869	1.1
123.04403	0.8
131.04959	0.9
133.06537	0.6
135.04462	0.8
137.05995	2.3
145.10042	0.7
151.03938	1.5
153.01788	3.3
161.06003	1.0
161.09680	1.2
163.07565	1.2
165.09099	0.8
167.07068	1.6
175.07629	0.7
181.04901	1.3
185.04240	5.6
189.09204	0.9
207.10341	0.7
299.36038	0.5
345.06174	0.7
527.33386	15.2
528.33716	1.7
689.38629	100.0
690.38965	17.8
695.47357	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.7
55.01867	0.6
55.05507	1.6
67.05500	2.8
68.05825	0.4
69.03439	0.6
69.07071	1.3
71.32440	0.4
79.05493	3.2
81.03418	1.6
81.07051	4.3
82.07341	0.5
83.04993	0.8
83.08622	1.3
90.92480	0.4
91.05495	2.3
93.07044	3.1
95.04977	0.6
95.08601	2.7
97.02889	0.9
97.06527	0.7
97.10152	0.7
99.04446	0.3
105.06447	0.4
105.07020	2.3
107.08601	2.1
108.08959	0.4
109.02885	0.7
109.06494	0.4
109.10165	2.1
110.36423	0.5
111.08121	0.6
117.07024	0.6
119.08611	1.4
121.10139	2.2
123.08075	0.6
124.49317	0.3
125.09634	0.5
128.06285	0.4
131.08569	1.2
133.06511	0.6
133.10159	1.3
135.08096	0.6
135.11725	1.1
137.05937	0.6
143.08636	0.5
145.10109	1.0
147.11681	0.9
147.72366	0.4
149.09651	0.4
149.13347	0.5
150.29015	0.4
152.48128	0.4
153.09062	0.4
159.08089	1.6
159.11710	0.5
160.08452	0.6
161.06142	0.5
169.08749	0.4
169.10219	0.5
173.05750	5.6
173.09769	0.5
179.78688	0.4
184.07367	0.5
189.16354	0.4
193.08575	1.9
205.08295	0.4
219.10161	1.8
220.10463	0.6
235.05704	2.0
335.26016	0.6
689.40210	100.0
690.40546	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	689.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98665	0.4
53.03946	1.3
55.05512	4.0
57.03429	1.0
65.03921	0.6
67.05502	8.6
69.03427	2.4
69.07066	3.9
71.04993	1.4
71.31878	0.6
71.94454	0.4
79.05497	7.2
80.05841	0.5
81.03413	7.4
81.07053	9.0
83.04984	1.7
83.08620	2.6
85.02883	0.7
85.06540	1.5
91.05479	6.4
93.07042	8.0
94.07380	0.5
95.04974	2.4
95.08601	7.2
97.02886	2.2
97.06558	1.1
97.09580	0.5
97.10178	1.5
99.04482	0.9
105.07050	4.8
107.04942	1.4
107.08594	4.1
107.19453	0.5
109.02897	2.1
109.06532	0.7
109.10142	3.0
111.04462	1.1
111.08102	1.4
117.07044	1.4
119.08569	4.5
121.06541	0.6
121.10151	3.4
123.08090	0.8
123.11702	1.0
125.09653	0.9
127.03924	1.0
127.89962	0.5
128.06238	0.5
129.07053	1.4
131.08539	3.4
133.06505	0.8
133.10106	2.7
135.08083	0.9
135.11705	1.6
137.06003	0.8
137.09651	1.7
139.11174	0.6
143.08607	1.1
145.06572	0.6
145.10147	1.8
147.11714	2.2
149.09634	1.3
149.13257	0.6
151.03949	1.1
151.07571	1.1
151.11150	0.8
153.09081	0.6
157.10146	1.3
159.08109	2.3
159.11644	1.2
160.08473	1.4
161.13245	0.7
169.10149	0.7
171.11693	0.7
173.05716	5.5
173.13377	0.5
175.11154	0.9
177.05399	0.5
177.16255	0.6
183.11734	0.5
191.10686	1.6
193.12228	3.1
211.13272	3.3
219.10243	2.2
220.10579	1.4
235.05774	1.0
261.22278	0.9
267.15924	0.8
279.23175	0.8
285.16968	0.6
295.22794	0.6
297.24286	0.5
335.25900	1.5
337.69284	0.6
346.52188	0.5
406.20978	0.7
411.20206	0.6
527.37372	1.5
545.38470	0.7
652.97784	0.5
689.40216	100.0
690.40594	18.2
694.18115	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.0
55.01873	0.4
57.03410	0.3
65.03934	3.2
67.05493	1.8
69.03430	2.2
69.23494	2.1
70.25314	0.2
74.69007	0.3
76.26295	0.2
79.05499	0.5
81.03413	4.0
82.04196	2.0
85.02900	3.7
86.85554	0.2
93.03391	0.9
95.04958	2.3
96.14252	0.3
97.02901	1.6
97.06548	1.2
99.04457	0.6
108.02092	0.8
109.02867	2.0
110.03680	2.2
111.04433	0.9
123.00769	0.3
123.04455	1.7
125.02310	0.9
125.05969	1.3
126.36285	0.3
127.03872	1.4
128.65475	0.3
137.05994	1.2
138.03134	1.2
139.03951	0.5
140.04666	5.6
142.02612	2.0
143.03342	0.2
145.04945	0.3
151.03886	1.4
151.07513	0.3
153.01828	8.2
153.03061	0.5
153.05496	1.2
155.07030	3.1
165.09052	0.3
167.03394	0.3
167.06984	1.0
171.02870	0.7
171.06525	3.2
175.07541	0.6
181.04941	100.0
182.05293	4.0
199.06007	8.0
297.05991	0.4
315.07141	0.7
325.09122	4.9
343.10187	4.1
344.10535	0.2
359.14911	0.5
523.92499	0.3
674.71484	0.3
689.37415	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.9
55.01849	0.3
63.54541	0.3
65.03944	2.6
67.05516	1.7
67.05797	0.3
69.03431	1.5
69.07082	0.3
69.28271	2.5
79.05474	0.7
81.03408	3.8
82.03761	0.3
82.04184	1.4
85.02911	1.6
93.03400	1.4
93.06989	0.3
94.56290	0.3
95.04973	2.9
97.02885	2.4
97.06516	0.8
99.04443	0.6
107.04939	0.5
109.02892	1.4
110.03673	1.6
111.04420	0.4
114.38416	0.3
121.02889	0.3
123.04415	1.2
125.02341	0.7
125.05991	3.1
127.03892	0.9
131.04890	0.3
135.04417	0.4
137.02319	0.5
137.05971	1.7
138.03114	3.4
139.03874	0.5
140.04683	6.1
141.05554	0.3
145.04956	0.9
145.10143	0.4
151.03922	2.6
153.01810	3.1
153.05400	0.8
155.07031	2.7
158.07321	0.4
161.05959	0.5
163.07500	0.4
165.09053	0.3
166.02641	0.7
167.07010	3.0
170.02121	0.9
171.06517	8.1
171.07858	0.3
172.07100	0.3
173.09627	0.4
181.04945	100.0
182.05305	3.5
189.09061	0.4
199.06007	10.4
207.40669	0.3
221.11688	0.7
223.37460	0.3
233.11769	0.5
235.13341	2.3
315.06955	0.4
325.09161	5.2
341.13818	0.5
343.10181	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	690.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.6
63.80753	1.1
65.03942	1.9
67.05515	1.6
69.03426	3.3
70.06578	1.5
70.49445	3.7
70.50858	1.3
72.08176	2.6
76.56451	1.1
79.05499	8.4
81.03415	7.1
81.07073	1.1
85.02905	3.7
86.09721	1.2
91.05474	10.0
96.05795	1.2
97.02897	3.2
97.06519	2.7
99.04475	1.4
105.07024	5.6
107.04955	3.5
107.08583	36.2
109.02877	3.5
109.06545	2.6
111.42430	1.1
115.05447	5.8
115.08685	1.1
117.07027	8.2
123.04446	1.8
123.07191	1.1
125.09619	1.2
127.03961	1.5
135.08041	100.0
136.08432	3.6
137.05986	3.7
147.04333	1.5
151.03935	4.1
153.09117	3.1
161.06032	1.9
163.07533	58.7
164.07942	2.5
165.26733	1.2
167.07011	3.2
181.05000	1.6
181.08583	32.1
181.10034	2.3
182.08890	1.6
191.07143	1.3
199.09641	2.7
289.10464	1.4
303.08813	1.4
307.11966	1.5
325.12851	8.0
343.13953	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	690.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82981	0.4
51.02363	0.5
53.03933	1.1
55.01851	0.4
55.32625	0.3
69.03423	2.8
69.21417	0.6
69.21825	1.8
71.04981	0.5
72.17681	0.3
77.78412	0.3
79.01844	3.0
81.03413	7.6
82.03732	0.3
85.02560	0.2
85.02911	2.7
92.86929	0.3
97.02320	0.5
97.02895	6.1
98.22488	0.3
99.04430	1.0
107.01312	1.8
109.02867	5.3
117.07005	0.4
119.04861	0.3
122.03620	1.0
125.02358	3.0
127.03905	7.7
127.04840	0.4
129.06967	0.6
131.04868	0.4
137.05972	10.2
138.06302	0.6
143.03374	4.6
143.04904	0.8
145.04948	1.0
149.05942	0.3
149.09651	0.3
151.03995	0.5
151.07568	0.4
153.01814	100.0
153.02852	3.9
154.02156	2.6
160.05176	0.9
161.05951	0.5
163.07545	0.5
171.02879	14.1
172.03166	0.4
174.06741	0.4
175.07535	6.2
181.04950	0.7
187.07553	3.0
189.09059	1.0
201.08983	0.3
205.08562	0.7
235.09697	0.9
248.08215	0.4
265.08548	0.4
266.08932	0.6
270.08786	0.4
271.09686	0.5
291.09995	0.7
296.10065	0.3
297.06039	8.4
297.11292	0.8
298.11655	0.6
311.12579	0.4
315.07056	10.9
316.07446	0.7
323.12802	1.2
325.14252	0.6
341.13800	1.3
430.90237	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	5.6
55.01859	3.0
55.05508	5.8
57.03427	6.5
57.96407	1.0
59.04991	1.2
67.05500	8.3
68.68935	1.0
69.03427	12.2
69.07057	3.0
69.19845	2.4
69.20247	7.7
71.04986	2.6
75.04468	1.6
79.01836	1.1
79.05048	1.6
79.05497	26.0
81.03419	20.5
81.07051	9.5
83.04973	4.8
83.08607	3.8
85.02889	7.2
85.66762	1.0
87.04478	3.1
91.04942	1.8
91.05479	21.2
93.07043	88.9
94.07382	3.2
95.04968	9.1
95.08634	7.0
97.02884	10.0
97.06532	2.0
97.10189	1.1
99.04414	2.4
103.05473	2.7
105.04479	1.1
105.07028	17.5
105.26924	1.1
107.04949	2.7
107.08585	17.3
108.08892	1.3
109.02882	5.6
109.06523	3.9
109.10154	2.3
111.04465	3.5
111.08080	4.5
115.05463	1.6
115.66891	0.9
117.06982	2.6
119.08574	14.2
120.08903	1.0
121.06506	4.0
121.10143	100.0
122.10479	2.8
123.08070	3.1
125.02332	2.4
125.06002	1.5
127.03905	4.8
129.07014	2.6
130.73428	1.1
131.08571	10.2
132.08881	1.3
133.06480	2.2
133.07587	1.3
133.10138	3.8
135.08006	1.9
135.11668	6.9
137.05975	4.7
139.11194	4.5
143.03395	2.2
145.05057	1.6
145.06464	1.3
145.10132	4.2
147.11746	1.6
149.09615	69.0
150.09984	2.8
151.03870	2.6
151.07591	1.5
153.01830	50.1
153.02901	2.9
157.10103	2.6
161.06007	6.7
163.03908	3.3
163.11183	7.8
165.09135	1.9
167.10670	12.9
175.11217	1.9
181.12227	1.6
193.12242	4.9
207.10133	2.3
209.11765	1.3
211.13318	6.8
216.72916	1.1
219.76033	1.1
224.08133	1.2
225.11230	4.2
227.12849	6.6
235.07515	2.3
242.02164	1.2
267.10089	2.4
267.15854	5.5
283.15314	9.3
285.03934	2.6
285.11191	11.8
285.16919	8.0
293.13788	10.4
294.14346	1.2
297.06064	1.7
299.01645	1.8
311.14896	16.5
313.03543	6.3
314.04156	2.2
315.01282	4.3
330.03561	7.7
345.01831	2.1
345.06042	39.8
346.06393	2.1
350.87259	1.3
470.08801	1.1
475.26874	6.5
493.27997	23.7
494.28256	1.6
507.07666	1.3
689.38348	1.3
690.37531	2.5
691.27020	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.26
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.7
55.01840	0.4
57.03423	1.4
58.02216	0.3
65.03931	3.2
66.21484	0.3
67.01869	0.3
67.05500	1.1
69.03160	0.8
69.03522	1.3
71.04620	0.6
71.04990	8.7
75.04501	0.4
81.03399	3.0
82.04194	0.9
83.04966	1.8
85.02899	12.9
87.04430	0.4
91.05470	0.7
93.03386	0.6
95.04953	1.6
96.02210	0.3
97.02886	1.0
97.06511	0.8
98.23354	0.5
99.04455	1.1
107.08639	0.4
108.02078	0.4
109.02872	1.6
110.03681	2.8
111.04425	1.5
121.02847	0.7
123.00708	0.4
123.04443	1.0
125.05975	6.1
127.03907	1.0
129.05478	3.9
137.05974	1.0
138.03081	0.5
139.03879	1.4
140.04689	4.1
142.02600	2.2
146.08084	2.6
147.06525	2.1
151.03926	1.8
153.01810	1.7
153.05463	9.2
154.06262	3.4
155.03374	0.5
155.06981	2.2
158.91280	0.3
163.07489	0.6
164.09181	4.1
167.07043	1.1
170.05795	0.5
171.06512	2.3
177.05562	0.6
181.04941	100.0
182.05301	3.5
185.06419	0.8
185.08078	13.0
195.37564	0.4
197.08052	0.6
199.05984	5.5
207.06537	0.4
209.08023	0.7
223.05853	0.4
235.06015	2.7
251.09093	0.6
257.00793	0.4
275.09122	0.9
277.10641	0.8
283.07971	0.6
309.09662	2.9
325.09161	4.1
327.10675	0.6
343.10239	7.2
344.10391	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	690.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.6
55.01863	5.2
55.05512	15.8
57.03436	12.7
57.07067	1.0
59.04995	1.9
61.02922	5.0
65.03951	1.0
67.05502	19.6
69.03439	4.4
69.07076	6.2
69.14349	6.8
69.31253	0.9
71.04986	3.6
79.05492	23.7
81.03417	42.3
81.07054	25.9
83.01337	6.3
83.04984	16.0
83.08617	19.5
85.02901	17.2
85.06575	1.4
91.03944	1.2
91.05479	24.9
91.06055	1.4
93.06454	1.5
93.07041	23.3
95.04963	19.1
95.08604	9.2
97.02906	5.5
97.06529	5.3
97.10168	3.6
99.04447	2.1
105.07031	17.4
107.04951	8.8
107.08599	10.2
107.14818	0.9
109.06518	5.1
109.10171	2.1
111.04446	2.8
111.08080	6.8
113.06020	1.2
117.06988	4.7
119.08569	15.2
121.06499	2.3
121.10136	9.3
123.08081	7.3
123.11703	1.4
129.06964	5.5
130.07832	1.0
131.08566	7.5
133.06497	2.0
133.10120	8.1
135.08032	1.7
135.11707	7.6
137.09650	2.1
145.10133	9.2
147.08014	2.2
147.11690	8.8
149.09648	4.8
153.12683	1.7
157.10092	7.7
158.10437	1.2
163.11183	13.2
165.09190	1.1
165.12727	1.6
173.09679	2.8
175.11177	10.7
181.12410	1.0
191.10667	1.4
193.12222	26.0
194.12523	2.0
209.11728	4.4
211.13283	53.3
212.13672	2.9
223.45389	0.9
227.12788	2.8
241.11342	1.0
246.65199	0.9
249.14926	1.1
255.56752	1.1
267.15860	10.8
274.47278	1.0
283.15393	55.0
284.15768	3.2
285.16946	38.1
286.17239	3.0
292.79440	1.0
383.22302	2.6
401.23141	1.3
457.25714	2.5
475.26938	13.5
476.27200	2.6
493.27954	100.0
494.28397	14.1
526.27301	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.4
55.01869	3.6
55.05505	15.4
57.03437	13.7
59.04994	1.4
61.02927	2.3
62.93504	0.8
65.03941	1.5
67.05502	26.1
68.43338	0.9
69.03430	4.2
69.07069	10.8
69.96662	3.2
71.04991	5.3
73.02918	2.5
76.87480	1.0
79.05490	38.7
81.03413	41.2
81.07056	32.5
83.01322	1.2
83.04972	14.0
83.08614	21.0
83.18601	1.1
85.02898	21.5
85.06540	2.3
91.05478	28.8
93.06448	2.0
93.07041	42.4
95.04965	24.7
95.08604	38.6
96.08981	1.2
97.02354	1.1
97.02892	6.3
97.06532	6.8
97.10159	2.9
98.23176	1.0
99.04470	4.7
99.08086	1.0
103.05474	1.3
105.07024	20.8
107.04953	10.5
107.08586	28.3
107.76875	0.9
109.06481	6.3
109.10152	4.5
111.04456	2.9
111.08067	5.9
113.05991	2.3
115.05399	1.9
117.07012	9.9
119.08572	21.9
120.08913	1.2
121.06490	6.5
121.10143	18.9
123.04390	1.0
123.08061	2.9
123.11703	1.5
125.05983	3.3
125.09657	1.1
129.06978	8.5
131.08569	9.5
131.09492	1.3
133.06502	3.7
133.10124	10.2
135.08093	2.1
135.11687	43.9
136.12007	1.9
137.05972	1.9
137.09631	1.8
142.07799	2.1
143.08603	1.1
145.10127	26.8
147.08022	3.3
147.11665	14.1
149.09616	5.9
151.07512	1.2
151.11128	0.9
157.10107	11.3
162.00830	0.9
163.07500	1.4
163.11172	52.6
164.11513	2.7
165.12755	2.6
167.07030	2.4
173.09598	2.5
175.11156	9.6
181.12233	9.5
193.12231	28.9
194.12616	1.8
209.11740	2.2
211.13287	40.3
220.84692	0.9
227.12769	63.5
228.13184	3.1
267.15906	29.2
267.18753	1.5
268.16293	1.2
283.15393	66.0
284.15851	3.1
285.16956	52.5
286.17267	3.5
333.45306	0.9
399.50406	0.9
475.20453	2.0
475.26892	29.2
476.27277	4.0
493.27942	100.0
494.28320	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	690.4699
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.4
56.05030	0.7
57.07067	0.3
58.06622	0.8
60.08158	6.1
61.08517	0.2
62.76161	0.2
66.28693	0.2
67.05493	1.1
69.07074	0.4
71.07370	3.6
71.08635	0.3
79.05491	0.4
81.03394	0.2
81.07076	0.9
83.04977	0.3
83.08623	0.3
86.09702	28.4
87.10040	0.5
91.05478	0.3
93.07034	0.4
95.04958	0.7
95.08607	0.8
98.22610	0.5
98.98462	3.5
104.10738	2.1
105.07004	0.3
107.08565	0.3
109.10161	0.4
121.10149	0.2
123.08014	0.2
125.00001	20.2
131.08598	0.2
133.10204	0.2
143.01076	0.4
147.11697	0.2
172.98270	0.2
184.07333	100.0
185.07713	2.1
185.66759	0.2
321.40884	0.2
363.82608	0.2
421.92429	0.2
471.89502	0.2
500.59769	0.2
575.49628	0.5
690.47003	5.1
691.34991	0.4
691.46539	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	18.3
57.03445	16.7
57.07082	38.5
61.02931	3.2
65.65212	2.2
67.05511	47.8
69.07068	13.8
71.01352	2.4
71.05007	6.0
71.08642	26.2
71.30837	3.6
79.05499	31.7
81.03423	4.0
81.07056	40.5
82.70778	2.6
83.04977	13.2
83.08628	17.1
85.02916	3.2
85.06549	3.9
85.10184	14.0
86.09720	13.7
91.05479	15.6
93.07047	41.9
95.08610	27.0
97.02880	2.7
97.06523	12.5
97.10181	13.8
98.98484	3.1
99.08114	2.8
105.07064	6.3
107.08591	24.4
109.10162	14.9
111.08089	5.1
117.07026	4.2
119.08604	6.6
121.10151	10.9
123.11720	4.8
125.00037	10.8
125.09673	3.4
133.10159	5.0
135.11697	42.7
137.09686	2.7
142.52199	2.4
145.10190	10.1
153.12796	7.6
163.11197	5.9
181.12189	11.6
184.07333	37.8
189.12688	3.0
225.38651	2.4
239.23837	2.7
255.15918	100.0
256.16299	8.0
313.27371	68.4
314.27731	5.8
324.65073	2.9
330.22998	2.6
493.38904	82.0
494.39056	10.7
575.50262	19.5
668.68372	2.8
689.59772	2.8
690.48322	4.7
691.49573	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	690.4781
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61435	1.3
53.03950	1.3
55.05512	19.6
57.03433	13.3
57.07070	10.3
58.11155	1.4
59.05008	1.9
60.08169	2.3
61.02916	5.0
65.03944	2.2
67.05503	76.0
68.05788	1.5
69.03423	2.9
69.07069	23.6
71.04995	4.0
71.08623	5.9
71.30763	2.3
74.09712	2.9
79.05483	7.6
80.38342	1.4
81.03418	2.1
81.07056	30.5
83.08616	21.6
85.02902	3.7
85.06537	2.1
85.10173	1.9
86.09702	11.2
86.44934	1.8
91.05481	6.5
93.07027	11.8
95.04933	1.5
95.08602	25.8
97.02874	2.3
97.10176	8.9
105.07024	1.8
107.08575	6.9
109.10152	79.4
110.10510	3.5
111.08077	5.2
111.11706	3.0
119.08594	5.9
119.92461	1.5
121.10152	7.7
123.11710	2.8
125.00014	7.6
131.08568	2.4
135.11707	4.5
137.09605	5.9
149.13326	1.8
155.10696	4.5
173.11740	21.1
184.07344	29.4
229.14340	100.0
230.14713	6.8
257.06131	2.0
261.66440	1.7
265.25211	3.5
276.09842	1.5
285.24210	1.6
339.28931	80.2
340.29239	9.0
390.75940	1.9
493.38840	65.0
493.46045	3.4
494.39215	8.0
575.50098	6.2
690.47961	3.6
691.39679	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	691.223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02332	0.5
53.03893	0.7
55.01793	1.8
55.05444	0.8
55.05684	0.4
57.03386	0.4
57.07018	0.3
59.22107	0.4
61.17559	0.4
65.03862	0.7
67.05406	1.3
68.99737	0.6
69.03326	2.0
69.06971	1.9
70.91873	0.9
71.04920	1.0
79.01760	1.8
79.05389	3.1
81.03322	2.7
81.06957	4.6
81.07468	0.4
83.04912	0.6
85.02805	1.5
85.06451	1.2
91.05376	1.7
93.07037	5.5
95.04862	2.1
95.08612	2.5
97.02800	1.5
97.03331	0.3
97.06416	1.5
97.10137	0.4
99.04356	1.3
103.05353	1.2
105.03347	0.9
105.07039	4.5
107.01255	0.6
107.04897	0.7
107.08599	7.4
109.02884	2.6
109.06511	1.9
109.10075	0.8
111.00727	0.8
111.04341	0.6
111.07949	1.1
113.05869	0.6
115.05386	0.5
117.06918	1.0
119.08569	1.8
121.02865	1.9
121.03516	0.5
121.06480	2.1
121.10162	4.7
123.04311	1.6
123.07980	0.9
123.11642	0.8
125.02296	0.8
125.09595	0.5
127.03916	2.0
127.07483	0.7
129.06860	0.6
131.04915	0.8
131.08508	0.9
133.06413	0.8
133.10025	0.5
135.04337	0.8
135.07948	0.5
135.11716	2.0
137.02354	4.1
137.05972	2.4
139.03801	0.8
139.11163	0.7
141.05371	0.4
143.03389	2.9
145.06364	0.7
145.10136	3.8
147.04332	0.7
147.07957	0.6
147.11615	1.0
149.05942	0.8
149.09639	2.1
151.03905	2.2
151.07523	1.8
153.01828	43.5
153.02963	2.2
154.02071	1.4
159.07980	0.4
159.11552	0.5
161.05920	1.3
163.03802	1.3
163.07443	1.2
163.11182	6.9
164.08276	0.9
165.01822	2.2
165.05388	0.5
165.09007	1.1
166.02385	0.3
167.03058	0.4
167.07072	2.4
167.10709	2.7
169.04868	0.7
169.08612	7.9
169.44699	0.4
171.02788	1.1
173.05902	0.8
173.09566	1.2
173.13222	0.5
175.03767	0.5
175.07457	0.4
175.11119	0.4
179.06853	0.4
181.04848	0.7
181.08624	0.4
181.12192	1.9
183.02797	0.9
183.04286	0.4
187.03804	0.6
191.03323	0.5
191.06972	0.4
191.10666	3.2
201.05470	2.1
205.04916	0.4
207.06456	0.6
209.11705	2.1
211.09689	1.1
225.11156	0.7
227.12767	5.9
229.04950	4.7
231.06432	0.7
239.03346	0.5
247.06042	0.4
249.07602	0.8
249.11253	0.6
252.46156	0.4
257.04385	3.0
267.12210	1.0
274.04608	0.8
283.09677	0.4
285.03949	1.5
297.06055	0.7
303.04984	100.0
304.05319	6.1
315.12219	1.2
325.10754	1.1
333.13412	1.6
345.05981	1.1
347.09503	1.6
352.16220	0.4
353.15994	0.7
371.17044	0.8
476.21243	0.5
511.32339	2.5
691.22729	1.4
691.39038	14.3
692.39838	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.4
53.03945	0.6
54.50359	0.3
55.01876	1.8
55.05506	1.1
57.03420	1.0
57.07070	0.3
58.05504	0.3
58.28337	0.3
59.50500	0.3
65.03939	0.6
67.05504	1.7
68.99787	0.7
69.03436	2.4
69.07079	2.4
69.75035	0.5
69.75462	1.4
70.44363	0.3
71.04977	1.0
79.01859	2.0
79.05492	2.5
81.03417	2.8
81.07059	3.9
83.01311	0.3
83.04964	0.7
85.02901	1.3
85.06538	1.1
91.05476	2.1
92.09806	0.3
93.03420	0.3
93.07047	5.4
95.04391	0.3
95.04914	1.5
95.08611	2.1
97.02897	1.0
97.06536	1.5
97.10146	0.7
99.04469	1.4
101.06036	0.4
103.05460	0.9
105.03393	0.4
105.07030	4.1
106.07324	0.3
107.01321	0.7
107.04928	0.7
107.08596	6.5
109.02889	1.7
109.06522	1.7
109.10139	0.9
111.00784	0.9
111.04454	0.5
111.08074	0.9
113.09613	0.3
117.07014	0.8
119.04978	0.3
119.08564	1.4
121.02856	2.4
121.06484	2.0
121.10143	3.9
122.10464	0.3
123.04442	1.4
123.08064	1.1
123.11761	0.7
125.02348	1.0
125.05985	0.5
127.03936	1.6
127.07564	0.7
131.04973	0.5
131.08546	0.9
133.06483	0.6
133.10138	0.7
135.04427	0.5
135.08038	1.0
135.11629	1.4
137.02344	4.2
137.05956	2.6
138.06323	0.4
139.03932	0.8
139.07562	0.7
139.11140	0.5
143.03378	2.3
143.08522	0.4
145.10126	3.9
147.04379	0.7
147.08009	0.4
147.11668	0.9
149.02353	0.4
149.06017	0.4
149.09625	1.8
151.03955	1.6
151.07556	1.6
152.07854	0.4
153.01830	35.9
153.02917	2.0
153.05394	0.8
154.02164	1.1
159.07962	0.4
161.06001	1.4
163.03918	1.2
163.07544	0.5
163.11185	6.8
164.08287	0.4
165.01857	1.9
165.05460	0.5
165.09108	0.5
167.07062	1.8
167.10667	2.4
167.23782	0.3
169.05028	0.4
169.08603	7.6
171.02977	0.5
173.05951	0.3
173.09583	0.5
174.69855	0.3
175.07491	0.4
177.05486	0.4
181.04907	0.4
181.12241	2.0
183.02867	0.9
185.11707	0.4
187.03912	0.7
191.10704	3.1
195.02898	0.4
199.07472	0.4
201.03841	0.4
201.05457	2.0
203.07126	0.4
205.04988	0.6
205.08604	0.4
207.06488	0.7
207.10089	0.4
209.11713	1.5
211.09531	0.6
225.11157	0.9
227.12766	5.0
228.04292	0.4
229.04994	4.3
231.06512	0.8
245.11717	0.3
247.06110	0.8
249.07492	0.4
249.11191	1.2
257.04422	2.4
267.12283	0.7
274.04828	0.7
275.05255	0.3
283.09659	0.5
285.03897	0.9
297.06027	0.6
297.11139	0.5
303.04984	100.0
304.05331	7.7
312.12970	0.4
315.05106	0.4
315.12201	1.5
325.10864	0.6
333.13324	1.1
345.05963	0.7
347.09445	1.0
353.15988	0.5
369.15894	0.3
371.17111	0.4
411.06827	0.3
467.08203	0.4
511.32584	1.6
527.24121	0.3
683.97040	0.4
691.23114	0.6
691.26410	0.5
691.39038	8.0
692.39081	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99409	0.9
53.03946	1.6
55.05502	2.5
57.03424	3.2
61.02923	7.1
61.54760	0.8
67.05507	10.6
69.03408	2.0
69.07065	2.7
71.33581	1.7
71.89495	1.0
73.02918	3.9
78.02925	0.9
79.05485	5.7
81.03422	2.6
81.07048	8.7
81.27840	0.9
83.04983	1.4
83.08636	1.6
85.02905	6.5
85.62617	0.9
86.09710	1.1
91.03956	4.3
91.05479	3.6
93.07060	4.5
95.08593	5.0
97.02885	6.1
97.10161	1.4
99.04456	1.3
101.02340	2.5
105.07044	3.2
107.08595	2.9
109.02927	1.2
109.10149	7.6
119.08621	1.9
121.10127	1.6
123.11736	1.1
127.03881	1.6
133.10130	2.1
135.11659	1.1
145.10168	1.3
147.11713	1.6
148.44586	0.9
151.33096	1.1
159.11755	1.3
173.11745	1.3
180.66649	1.2
184.07373	4.4
200.24648	1.0
203.10948	1.3
205.08527	0.9
243.08499	1.9
259.16971	3.2
260.17355	1.9
324.33121	1.0
413.17783	4.4
519.29474	8.2
691.40234	100.0
692.40631	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	691.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12235	1.1
55.05503	3.0
57.03429	2.7
58.58489	1.0
61.02927	7.3
61.19296	1.1
67.05505	13.1
69.03418	4.0
69.07074	2.4
71.13033	1.0
71.33217	1.1
71.33653	1.6
73.02914	3.5
77.74254	1.1
79.05492	4.3
81.03419	3.5
81.07058	7.2
83.08643	1.9
85.02893	3.7
91.03949	2.9
91.05482	3.2
93.07040	3.6
94.46396	1.0
95.08597	4.2
97.02876	5.2
97.06478	1.5
99.04426	1.3
101.02386	2.5
105.07032	1.9
107.08600	2.1
109.10147	8.0
118.42160	1.0
119.08584	2.8
121.10096	2.3
127.03934	1.5
131.08559	1.9
133.10158	1.3
135.11667	1.8
148.17232	1.1
173.11819	1.7
184.07404	3.1
190.63173	1.1
206.63986	1.1
243.08202	1.7
413.17883	9.5
519.29529	5.6
691.40161	100.0
692.40564	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	692.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40112	0.4
51.02395	0.5
53.03934	1.7
55.01867	1.1
55.05506	1.8
57.03434	1.1
65.03926	0.5
65.70081	0.4
67.05500	20.1
69.03423	4.1
69.07095	0.6
71.04986	1.1
71.32486	1.0
78.98725	0.6
79.05488	2.7
81.03413	15.6
81.07052	12.3
85.02898	2.6
91.05473	1.8
93.07025	2.4
95.04955	3.6
95.08609	6.6
97.02886	5.0
99.04448	1.9
99.08106	1.0
105.07042	0.6
107.08599	2.3
109.02873	17.4
109.06504	1.8
109.10151	48.5
110.10464	1.1
111.04444	1.6
119.08582	3.6
121.10154	0.5
125.05984	1.4
127.03909	6.6
135.08035	1.1
137.09607	100.0
138.09943	3.1
147.08049	0.6
155.10649	7.8
163.07549	0.9
165.09106	89.8
166.09485	2.7
183.10135	7.1
192.95222	0.5
201.11214	11.9
219.88513	0.5
221.06178	0.5
225.01842	0.7
253.01295	0.5
263.12704	1.5
271.02338	2.1
273.11230	1.0
291.12384	3.6
299.01831	5.4
300.02454	0.7
300.99655	0.7
308.34393	0.6
309.13290	38.2
310.13553	2.2
316.02170	3.1
327.14395	16.6
328.14709	1.1
331.04462	17.6
332.04800	0.7
345.15329	1.1
364.79022	0.7
435.29236	0.5
519.00018	0.6
693.23260	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.254
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.3
53.03937	0.8
55.01880	0.6
57.03418	0.3
65.03926	0.3
69.03427	3.5
71.04978	0.9
71.32258	0.3
79.01841	2.8
79.05485	0.3
81.03415	6.5
81.07047	0.4
85.02901	3.2
87.04453	0.3
91.05476	2.4
94.04189	0.4
95.04993	0.5
97.02884	5.6
99.04449	0.8
103.05462	0.9
105.07012	0.6
106.95628	0.2
107.01301	1.7
107.04961	0.9
107.08588	0.3
108.04395	0.2
109.02876	4.5
109.06511	0.6
111.04433	0.3
115.03877	0.2
115.05470	0.4
117.07040	0.4
119.04939	1.8
121.06499	0.8
122.03652	0.6
123.04424	0.3
125.02340	3.0
127.03911	6.7
128.06224	0.3
129.05525	0.3
129.06987	1.5
131.04903	1.7
133.06461	0.4
135.08069	1.0
136.05225	0.2
137.02318	0.2
137.05968	12.4
137.31400	0.2
138.06302	0.6
139.03894	0.6
143.03387	4.9
145.04984	0.9
145.06520	0.3
147.04463	0.4
149.05965	1.4
149.09576	0.3
151.03883	1.4
151.07538	11.2
152.07860	0.5
153.01816	100.0
153.02858	4.0
154.02147	2.5
157.06464	1.3
158.07115	0.2
159.08018	0.3
161.05981	1.8
161.09592	0.7
162.06752	0.3
163.07521	5.8
163.08858	0.3
164.07838	0.3
165.07028	0.7
165.09097	1.0
166.07582	0.3
167.07182	0.5
167.08574	1.3
171.02870	10.7
174.06752	0.8
175.07549	1.6
177.05595	0.2
177.07404	0.4
177.09099	7.6
178.07819	0.2
178.09367	0.4
181.04977	0.6
185.08087	0.2
187.07533	0.4
189.09111	3.5
191.03371	0.4
191.06998	0.3
193.06468	0.6
193.08467	0.2
193.10081	0.6
195.08044	1.7
195.09921	0.4
197.05978	0.3
199.07555	0.3
201.09137	0.3
203.08704	0.2
203.10536	0.3
207.10201	0.6
209.09660	0.4
210.06702	0.4
211.07573	0.4
212.08337	0.3
219.08235	0.3
219.10110	1.3
221.05974	0.9
221.09590	1.1
221.11745	1.4
223.07556	0.9
224.08220	0.4
225.09100	0.8
227.10655	3.2
235.07491	0.3
237.03860	0.3
237.09047	0.4
239.06915	0.3
240.07779	0.4
249.09023	0.7
249.11301	0.5
253.08539	1.2
253.12245	1.7
254.08968	0.3
255.10150	3.4
257.07956	0.4
265.08661	0.3
267.10159	0.5
269.08066	0.6
270.08798	0.3
272.10367	0.3
279.04980	0.4
281.11691	0.7
285.03131	0.3
285.06116	2.6
285.11148	2.2
287.12723	3.8
293.11731	0.3
297.06036	6.2
297.11212	0.6
298.06699	0.3
298.11884	0.3
299.12738	1.7
303.05148	0.4
311.12720	0.7
313.10831	0.2
313.14325	3.8
314.14560	0.4
315.07059	12.1
316.07401	0.8
331.15372	15.3
332.15579	1.2
343.15353	2.8
345.10751	0.3
353.13925	0.3
355.15308	0.7
367.15369	0.5
377.01837	0.6
395.02716	0.3
397.16519	0.3
401.11560	0.3
421.16583	1.3
422.16388	0.4
439.17422	0.7
457.18539	0.3
483.16336	1.0
627.20435	0.5
638.90070	0.3
661.84680	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	0.3
51.02395	0.3
53.03933	0.5
55.01864	0.5
69.03422	2.7
70.63844	0.7
75.13746	0.3
79.01854	2.8
79.05504	0.3
79.42797	0.3
81.03410	5.3
85.02901	3.0
86.44597	0.3
91.05465	0.8
97.02888	5.0
99.04453	0.8
103.05450	0.6
107.01305	1.4
107.04955	0.5
109.02864	4.3
111.04414	0.4
119.04938	0.9
121.02871	1.3
121.06538	0.5
122.03677	0.6
125.02347	2.8
126.50993	0.3
127.03911	7.3
129.07001	0.4
131.04924	1.0
136.79509	0.3
137.05968	8.6
143.03372	4.2
145.04948	1.2
149.05968	0.9
151.03879	1.1
151.07542	5.3
153.01816	100.0
153.02852	3.8
154.02167	2.9
157.06526	0.7
161.05951	1.4
162.06648	0.4
163.07535	3.2
167.07048	1.2
167.08464	0.5
168.03543	0.3
171.02881	9.8
175.07516	0.9
177.09119	3.1
178.09364	0.3
179.07060	0.4
181.05011	0.7
189.09093	1.8
193.06544	0.4
193.08528	0.4
195.08067	1.1
195.10036	0.6
207.10229	0.6
208.10414	0.3
211.07591	0.3
211.09610	0.4
213.03882	0.5
215.07254	0.3
219.10127	0.4
221.05908	0.3
221.09698	0.6
221.11703	0.6
227.10678	1.5
241.07553	0.4
249.11230	0.4
253.08612	0.8
253.12212	0.9
255.10188	1.3
261.11270	0.4
267.10074	0.3
269.08133	0.5
269.18939	0.5
278.09128	0.3
279.04843	0.5
285.06116	2.7
285.11209	1.2
287.12720	2.2
297.06012	6.2
297.11151	0.9
299.12830	1.2
309.11230	0.6
311.12885	0.8
313.14291	2.8
315.07062	15.4
316.07312	1.0
323.12738	0.4
325.14307	0.6
331.15363	13.3
332.15640	1.4
333.20520	0.5
341.13907	0.5
343.15353	4.0
344.15778	0.5
355.15335	1.0
385.16156	0.4
397.16302	0.7
403.15198	0.4
421.16354	2.4
439.17703	1.4
483.16293	1.2
573.26306	0.3
627.20197	0.8
692.31335	0.3
693.26257	0.4
724.26190	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.5
52.03458	0.3
53.03937	0.8
55.01870	0.6
57.03426	0.7
67.05499	0.3
69.03424	3.0
70.04469	0.3
71.04979	1.3
71.34303	0.4
79.01849	2.9
79.05466	0.3
81.03412	6.0
81.07029	0.3
85.02899	4.1
85.06544	0.3
91.05480	2.2
93.07020	0.4
94.04151	0.4
95.04982	0.7
97.02254	0.3
97.02885	5.6
99.04445	1.2
103.05462	0.9
105.07001	1.0
107.01299	1.8
107.04922	0.9
109.02874	4.6
109.06515	0.5
111.04378	0.5
112.41478	0.3
115.03918	0.4
115.05470	0.4
117.06978	0.4
119.04962	2.0
119.08593	0.3
121.06507	0.7
122.03667	0.8
123.04433	0.5
125.02339	3.0
127.03899	7.0
128.06187	0.4
129.06982	1.3
131.04915	1.5
131.08583	0.4
133.06461	0.4
135.04305	0.3
135.07985	1.5
137.05966	13.4
137.09615	0.5
138.06300	0.4
139.03908	0.4
143.03395	4.2
145.04985	0.8
147.04448	0.4
147.07971	0.4
149.05942	1.3
151.03909	1.4
151.06314	0.5
151.07532	9.3
153.01816	100.0
153.02859	4.3
154.02159	3.3
157.06480	1.2
161.05936	1.8
161.09602	1.1
163.03889	0.5
163.07542	5.7
165.06969	0.7
165.09138	0.8
167.07024	0.8
167.08575	0.8
171.02867	9.9
171.04289	0.6
171.08051	0.4
174.06726	1.3
175.07535	1.8
177.05559	0.4
177.09091	6.3
181.04955	1.5
181.08565	0.4
181.10066	0.3
184.29462	0.3
187.07523	0.3
189.09091	4.0
191.03381	0.6
193.06479	0.7
193.08594	0.3
193.10164	0.4
195.08041	2.9
199.07545	0.3
201.09114	0.4
202.07634	0.4
203.10507	0.4
207.10178	1.0
209.09784	0.4
210.06702	0.4
211.07637	0.5
213.03792	0.4
219.10146	2.6
221.05960	1.0
221.09531	0.9
221.11688	0.9
223.07578	1.5
224.08170	0.3
225.09125	0.7
227.10648	3.3
229.08664	0.4
237.09126	0.5
240.07883	0.5
249.09023	0.6
253.08600	1.7
253.12253	2.0
255.10115	2.8
265.08722	0.4
267.10162	0.7
269.07983	0.4
281.11777	0.4
285.06140	2.4
285.11176	2.0
287.12762	3.5
288.13110	0.4
293.11807	0.4
297.05997	6.2
297.11227	0.7
298.06238	0.4
299.12717	1.6
311.12869	0.8
313.14331	3.8
315.07053	10.8
316.07455	0.8
331.15353	14.1
332.15750	1.0
343.15421	2.4
344.16031	0.3
353.14114	0.3
355.15399	0.7
377.01804	1.5
379.15396	0.6
395.02835	0.4
397.16449	0.4
421.16238	1.7
439.17291	0.7
457.18555	0.4
483.16345	0.7
545.17700	0.4
661.05322	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.7
53.03939	1.5
55.01864	1.8
55.78269	0.7
65.03932	1.5
75.04465	1.0
78.04701	1.2
79.05490	3.8
81.03412	1.5
81.07036	0.6
85.02884	1.9
89.03893	0.8
91.05473	10.5
93.03403	2.6
93.07043	3.3
95.04942	2.8
97.02893	0.8
97.06528	0.9
102.04690	0.7
103.05469	9.6
105.04463	0.7
105.07030	6.9
106.04159	6.1
107.04952	19.9
109.02891	1.1
109.06516	1.8
111.04410	0.6
115.05440	2.0
116.06201	0.8
117.07040	1.4
118.04134	1.9
119.04933	3.7
120.05754	1.6
121.06503	11.2
121.93028	0.6
123.04417	2.6
124.05222	0.8
125.05999	1.9
127.03899	0.8
128.06201	1.1
129.07001	6.7
131.04918	7.5
131.08574	2.9
132.05702	2.8
133.02866	1.1
133.06473	5.1
134.03653	1.3
135.04375	1.3
135.08014	3.7
137.05971	6.3
139.07516	1.2
145.02974	0.6
145.06474	1.6
145.07587	0.7
146.07251	2.7
147.04402	0.7
147.08078	0.8
148.05194	5.6
149.05978	14.0
149.09563	0.8
150.06694	0.8
151.03947	0.6
151.07529	4.8
153.01872	1.3
153.05450	2.0
153.09065	3.0
157.06454	2.6
159.08008	1.1
160.05237	1.0
161.05968	89.0
161.09592	20.1
162.06308	2.9
162.09982	1.3
163.03850	1.3
163.07532	18.5
165.05421	3.2
165.09096	1.7
166.06226	2.1
167.07030	29.9
168.07391	1.2
174.06757	3.6
175.07545	7.4
176.04611	0.7
177.05461	8.2
177.09048	1.7
179.01546	1.0
179.07031	3.6
179.08362	0.8
179.10739	0.7
180.07877	3.1
181.05026	0.8
181.08588	19.7
182.07277	0.8
182.08980	1.1
187.07356	0.8
189.09094	58.2
190.09427	3.0
191.07011	14.2
191.08667	0.9
192.07756	5.3
193.08566	5.9
195.08275	1.1
195.10172	4.0
197.08095	3.0
197.09692	0.8
201.09010	0.6
207.10150	100.0
208.10521	5.8
209.08070	21.8
209.10042	1.0
210.08458	1.3
211.07664	0.7
211.09543	2.9
213.11226	0.7
219.10085	2.9
225.09070	1.4
235.11366	0.7
237.11276	0.8
251.10616	0.8
253.08578	1.2
257.11737	1.4
272.10101	0.9
279.10141	0.8
283.09549	1.0
283.13293	0.8
285.11057	3.6
301.07465	3.4
311.12659	1.6
313.07507	1.0
315.12180	1.7
317.13754	4.5
327.12469	0.9
329.13785	2.3
331.15408	1.1
341.13483	2.2
343.15381	8.7
344.15659	0.8
355.15146	0.7
361.16422	38.7
362.16650	4.1
373.16330	5.3
374.16907	0.7
379.63016	0.6
465.21143	1.2
657.66412	0.8
680.98273	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83616	0.5
53.03933	0.5
53.66999	0.6
65.03944	1.7
65.38177	0.5
67.05499	0.7
69.03413	1.9
69.15323	5.0
77.42806	0.6
80.77061	0.5
81.03416	3.7
85.02895	2.6
87.78746	0.5
91.05473	1.2
93.03397	3.0
95.04945	1.0
97.02900	2.7
103.05449	1.0
108.02058	0.9
109.02869	2.2
111.04448	3.9
112.56853	0.5
122.03627	0.8
125.02370	0.7
125.05968	4.2
127.03908	1.5
128.06273	0.5
131.04922	1.2
133.06494	1.1
137.05975	10.6
141.05467	0.8
151.03902	100.0
151.04947	5.7
152.04230	3.2
153.01831	11.3
154.02127	2.7
155.02287	1.7
163.07588	2.8
165.09016	0.6
169.04958	9.4
175.07613	0.7
176.24655	0.7
177.09149	0.8
189.09177	0.6
219.10046	0.7
270.72482	0.8
293.22226	0.6
295.08020	3.7
295.13171	1.1
313.09137	7.7
315.07111	1.2
317.07669	0.6
327.15851	1.4
333.94934	0.6
383.45325	0.7
441.16022	0.8
451.69345	0.8
561.09509	0.8
692.40131	0.6
693.07672	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01224	5.8
55.05516	18.9
57.03439	12.6
67.05492	33.1
69.03426	13.4
69.07064	12.4
69.42205	47.7
79.05495	40.8
81.03419	94.4
81.07041	48.0
81.81740	7.2
83.04979	14.9
83.08615	37.4
85.02898	42.2
87.19248	7.7
91.05494	46.8
93.07046	29.3
95.04966	33.8
95.08620	21.8
97.10182	11.4
98.22606	8.5
105.07032	27.7
107.04949	12.3
109.10167	10.7
111.08061	16.1
115.05405	6.8
119.08582	32.6
121.10139	16.7
127.03970	7.6
128.14235	6.6
129.07024	22.4
131.08589	18.0
133.06476	8.0
133.10152	17.3
136.64200	6.2
137.06029	9.1
137.09631	20.4
147.11707	24.2
149.09619	12.1
153.01750	8.4
157.10193	18.0
165.09254	7.7
167.07057	6.9
175.11201	30.8
192.52205	7.1
193.12216	73.1
211.13281	100.0
267.16040	46.1
285.16910	87.4
353.83704	7.6
385.23434	9.8
459.27228	32.8
477.28342	18.2
495.29514	62.4
693.24792	10.0
693.37854	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	692.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.9
55.01871	22.4
55.05514	36.6
57.03438	25.2
57.07081	4.5
59.05003	2.6
61.02925	7.7
65.03944	3.9
67.05507	87.8
68.05833	2.2
69.03438	7.4
69.07062	25.1
71.04980	5.9
73.02911	6.1
74.81145	1.7
75.85039	1.6
79.05496	57.9
81.03413	21.1
81.07058	100.0
82.04205	4.1
83.04988	20.2
83.08626	22.9
85.02906	10.6
85.06544	8.0
85.43410	2.1
87.04465	4.0
91.03958	3.1
91.05479	35.8
93.06454	3.4
93.07049	62.8
94.07366	2.4
95.04978	15.9
95.08605	28.3
97.02893	8.2
97.06539	16.0
97.10168	15.4
98.07322	6.5
99.04469	2.4
99.08091	1.9
101.05988	1.9
105.07030	17.8
107.04959	7.5
107.08595	40.6
109.06520	4.6
109.10157	20.4
111.04459	2.7
111.08083	9.9
116.04688	12.0
117.07043	11.8
119.08563	9.2
121.06479	4.3
121.10152	17.5
123.08098	5.3
123.11726	6.3
125.09633	16.3
127.91056	2.0
129.05478	33.7
129.07028	5.0
131.08571	12.3
133.10118	22.5
135.08044	5.7
135.11684	18.0
137.09654	2.8
143.07037	8.9
143.10657	3.6
145.10132	6.0
147.11681	7.7
149.09647	5.6
149.13234	24.3
151.11182	2.7
153.12747	3.1
155.10768	2.0
157.08629	14.0
157.10039	2.7
158.05759	2.6
159.11685	15.6
163.11127	8.6
171.06564	5.5
171.10170	4.4
173.11725	4.5
175.11223	3.8
177.12788	6.9
181.12173	2.2
185.08141	2.0
189.11313	5.5
191.10643	3.1
193.12326	6.0
195.13788	25.3
199.13257	16.1
200.14015	2.8
209.11620	8.8
211.13274	5.0
213.14880	4.8
227.12788	15.5
229.14325	4.1
251.16425	2.2
255.15923	2.8
265.14313	2.4
267.15912	9.2
269.17468	99.7
270.17804	4.8
277.86069	2.0
283.15421	13.3
301.16449	66.9
302.16724	3.2
323.18423	3.7
393.26227	6.2
411.27432	15.5
423.27383	30.1
424.27618	2.9
449.28845	2.3
459.27859	2.3
461.28949	6.6
477.28513	11.7
478.28909	4.9
495.29498	86.5
496.30136	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	692.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	2.8
53.03949	5.5
55.01874	14.2
55.05511	34.9
57.03439	28.1
57.07081	5.0
58.07988	1.9
61.02919	7.5
62.92841	1.9
65.03944	4.5
67.05505	88.2
69.03431	9.9
69.07069	25.4
69.81685	9.2
71.04995	7.0
71.62844	1.9
73.02915	8.0
79.05491	62.4
81.03425	23.2
81.07059	100.0
82.04231	3.3
83.04977	17.7
83.08624	28.9
85.02900	11.9
85.06541	6.1
91.03977	2.7
91.05481	39.4
93.07042	62.0
93.07604	3.9
95.04969	21.9
95.08601	26.3
97.02869	9.3
97.06542	15.4
97.10174	13.5
98.07320	6.3
99.08062	3.6
105.07041	15.1
107.04963	6.0
107.08595	37.3
109.06519	4.4
109.10146	16.8
111.04450	3.3
111.08079	10.7
116.04705	9.3
117.07022	13.3
119.08557	10.9
121.06485	3.9
121.10149	18.5
123.08082	7.0
123.11719	3.8
125.09639	15.7
127.07607	1.9
129.05489	25.5
129.06998	4.2
131.08580	12.5
133.10112	16.7
134.10442	2.1
135.08075	4.9
135.11705	14.6
137.09625	4.4
143.07060	6.1
145.10115	6.1
147.08099	3.2
147.11650	6.9
149.09630	3.5
149.13257	26.9
150.13687	2.5
155.10718	2.2
157.08601	10.1
157.10115	5.9
159.11681	11.2
161.97733	1.9
163.11200	7.4
171.06493	4.9
171.10165	5.1
173.09633	2.9
173.11717	4.4
175.11246	3.4
177.12787	7.9
181.12227	2.4
189.11282	5.0
191.10641	3.7
193.12311	5.8
195.13817	14.8
199.13252	13.1
200.14064	2.1
204.97847	2.3
209.11713	7.2
211.13220	2.8
213.14851	2.4
227.12785	9.0
255.15913	4.4
267.15839	5.2
269.17468	80.0
270.17847	4.5
283.15298	14.2
301.16473	55.9
302.16949	3.3
323.18390	3.6
336.37494	2.1
345.73483	2.3
393.26492	4.9
411.27472	10.0
423.27393	20.7
424.27655	3.2
461.29031	4.8
472.64813	1.8
477.28503	16.2
478.28964	10.7
495.29535	84.8
496.29578	7.4
555.05811	2.2
705.29828	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.2
55.01871	6.9
55.05508	36.0
57.03151	1.3
57.03431	20.6
57.07064	2.4
59.04991	4.5
61.02917	9.1
65.03937	2.8
67.05499	100.0
68.05841	2.1
69.03424	4.1
69.07061	16.0
69.23243	8.6
71.01349	2.3
71.04990	6.3
73.02900	5.4
79.05487	41.5
81.03417	12.6
81.07050	74.9
82.07383	1.9
83.04971	9.0
83.08618	18.7
85.02889	14.8
85.06544	5.6
87.04474	5.4
91.03969	2.9
91.05476	29.1
91.06059	1.4
92.05770	0.9
93.07037	44.8
94.07365	1.5
95.04963	8.2
95.08601	20.9
96.06163	1.0
97.02895	6.6
97.06527	10.9
97.10160	13.5
99.04423	1.2
99.08095	2.1
103.03915	1.6
105.07019	12.1
106.85332	1.0
107.04951	3.8
107.08588	26.6
109.02847	1.2
109.06516	3.3
109.10147	48.5
110.10551	1.5
111.04430	2.5
111.08060	6.5
115.05424	1.1
116.04744	1.0
117.07001	6.6
119.08578	9.9
121.06506	3.3
121.10139	13.9
123.08064	3.3
123.11691	5.1
125.09647	11.6
127.03893	1.2
129.05469	4.9
129.06984	1.7
131.08559	9.8
133.10129	15.1
135.08026	2.3
135.11690	14.3
137.09599	3.1
139.11234	1.8
143.07027	1.8
143.10661	3.3
144.07703	1.0
145.10132	3.6
147.07964	1.3
147.11641	5.4
149.09616	2.7
149.13245	14.0
151.11218	2.0
153.12775	3.2
155.10674	4.3
157.10083	1.9
159.11711	7.0
163.11217	9.4
165.12759	1.9
171.53758	1.0
173.09720	0.9
173.10236	1.4
173.11714	14.5
175.11145	1.0
177.12781	5.7
181.12283	2.9
191.10695	3.7
193.12221	4.3
195.13794	15.5
199.13309	6.3
209.11697	9.6
211.13245	2.6
213.14905	2.7
227.12820	6.2
229.14328	49.6
230.14740	2.3
239.16386	3.2
257.13861	3.1
267.15869	7.3
269.17441	59.3
270.17877	3.8
283.15402	5.3
301.16437	15.5
357.24313	1.5
393.26382	2.7
411.27567	4.8
411.32724	1.4
412.27328	1.2
423.27347	29.7
424.27597	3.1
469.09271	1.3
477.28055	1.8
495.29465	54.0
496.29803	6.8
513.30707	21.5
514.31030	2.9
599.35980	1.4
621.41315	1.4
692.37793	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	692.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91587	1.0
53.03931	3.9
55.01872	7.1
55.05510	34.8
56.05843	1.5
57.03430	18.8
57.07067	3.3
59.05001	2.9
61.02922	7.7
65.03940	2.9
67.05502	100.0
68.05840	1.9
69.03432	3.0
69.07064	21.1
69.12961	8.6
71.01346	1.3
71.04996	5.5
73.02908	4.5
79.05491	42.5
80.05832	1.3
81.03417	12.0
81.07055	71.0
82.07403	2.4
83.04993	8.1
83.08624	18.9
85.02898	15.9
85.06539	6.7
86.09709	1.2
87.04459	4.2
91.03956	3.0
91.05482	28.5
93.07040	39.7
95.04967	8.1
95.08607	21.4
97.02877	5.7
97.06524	11.6
97.10168	14.6
98.22578	2.0
98.31069	1.3
99.08086	2.1
103.03938	3.2
105.07027	11.7
107.04947	4.4
107.08590	27.1
109.06512	2.9
109.10150	46.0
110.10487	2.0
111.04461	2.1
111.08081	7.3
113.05985	1.6
114.73534	1.3
116.04749	1.7
117.07016	7.3
118.07343	1.2
119.08575	10.5
121.06512	3.2
121.10128	10.7
123.08080	1.6
123.11705	5.0
125.09623	13.9
129.05481	5.0
129.06956	1.9
131.08577	8.1
133.10133	13.7
135.08115	1.4
135.11668	11.4
137.09610	2.8
143.10660	2.4
145.10129	4.6
147.08011	1.6
147.11668	3.5
149.09634	2.1
149.13266	13.5
151.11115	1.8
153.12714	2.6
155.10658	2.7
159.11667	9.2
163.11147	8.3
165.12785	2.7
173.09645	3.0
173.11723	11.7
177.12718	4.7
181.12091	2.3
191.10701	2.9
193.12231	3.6
195.13803	15.2
199.13277	7.6
209.11711	4.5
211.13353	2.1
213.14882	2.2
227.12767	7.9
229.14336	42.0
230.14850	1.9
231.56422	1.5
239.16473	1.2
257.13931	1.7
267.15964	5.0
269.17465	55.7
270.17776	3.0
283.15445	4.7
285.16776	1.5
297.16916	1.6
301.16443	15.2
302.16855	1.6
310.74954	1.2
393.26450	1.5
411.27313	4.3
422.26318	1.4
423.27377	32.4
424.27618	2.8
477.28448	2.0
495.29486	45.1
496.29691	5.7
513.30664	19.2
514.30927	2.9
693.31531	2.6
693.41534	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.0
55.01868	3.2
55.05508	22.4
57.03437	12.4
57.07069	2.0
59.05001	1.9
61.02925	4.0
65.03941	3.2
67.05502	80.3
68.05833	1.6
69.03413	2.3
69.07068	17.0
69.61960	3.0
69.62377	1.7
71.04993	19.0
71.08647	1.3
72.05335	0.8
73.02919	2.1
75.87359	0.8
79.05489	36.2
80.05834	0.7
81.03414	5.9
81.07054	100.0
82.07388	2.2
83.04978	7.4
83.08620	16.2
85.02888	5.3
85.06540	9.3
87.04473	1.3
90.71758	0.7
91.03955	1.5
91.05477	24.8
93.07042	45.4
94.07372	1.4
95.04951	4.5
95.08603	19.7
97.02892	3.2
97.06528	10.2
97.10165	5.7
98.22609	0.9
99.04484	1.2
99.08102	2.1
103.03976	0.9
105.04523	1.5
105.07021	10.6
107.04953	1.8
107.08589	27.8
108.08955	0.8
109.06518	2.9
109.10153	21.4
111.08059	6.2
113.09639	1.3
115.05444	0.7
117.06998	7.6
119.08568	5.5
121.06508	1.4
121.10133	14.7
123.08081	1.2
123.11707	10.7
125.09621	6.4
129.07039	1.1
131.08559	7.1
133.10135	13.6
133.11049	1.3
134.10510	0.9
135.08064	2.1
135.11676	8.9
135.12540	0.9
137.09645	1.4
139.11218	1.2
145.10071	1.7
147.11685	2.2
149.09598	0.9
149.13254	21.7
151.11194	3.5
153.12827	1.4
155.10695	1.9
157.10138	1.1
159.11699	9.4
160.12019	0.7
163.11217	2.5
165.12767	1.9
167.14249	0.8
169.12277	1.3
173.11736	5.0
177.12758	4.9
181.12238	0.8
183.13826	2.3
187.13283	2.3
189.91518	0.8
191.10753	0.8
193.12317	2.0
195.13774	11.9
199.13289	2.0
209.11768	2.5
213.14908	1.4
227.12718	3.5
229.14348	15.7
230.14880	0.8
239.16428	1.0
257.17606	1.0
267.16025	2.1
269.17450	38.3
270.17786	2.9
283.15417	1.8
289.64203	0.8
301.16434	5.3
301.20105	6.9
393.26163	0.9
402.48181	0.8
411.27301	1.5
423.27316	12.6
424.27933	1.0
431.28278	0.8
437.28964	43.2
438.29260	4.1
451.30579	7.9
463.30524	81.4
464.30835	10.6
495.33737	34.6
496.33331	2.8
513.30389	3.8
639.36523	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38660	0.6
53.03944	2.5
55.05509	24.4
55.05785	1.2
57.03432	10.8
57.07066	2.5
58.10354	0.8
59.05003	2.3
61.02929	6.4
65.03933	2.4
67.05502	85.2
68.05827	1.4
69.03427	3.2
69.07064	16.9
70.07430	0.9
70.74680	0.7
71.04991	19.0
71.08621	1.2
71.13277	0.9
73.02907	2.1
76.80853	0.7
79.05486	36.9
80.05800	1.0
81.03413	7.8
81.07050	100.0
82.07402	2.4
83.04984	8.2
83.08616	17.7
85.02897	9.7
85.06541	8.7
87.04467	2.3
91.03960	2.6
91.05476	30.2
92.05807	1.0
93.07038	43.2
94.07359	1.3
95.04971	5.6
95.08600	19.2
97.02888	4.7
97.06528	9.9
97.10159	7.5
99.04475	1.7
99.08091	1.8
103.03936	1.3
105.04523	0.9
105.07024	12.3
107.04964	1.7
107.08588	27.0
108.08888	0.8
109.06536	3.7
109.10148	26.9
111.04431	0.7
111.08060	6.5
113.06046	1.0
117.07002	9.3
119.08558	6.5
121.06487	2.3
121.10141	10.5
123.08072	1.1
123.11711	10.4
125.09617	7.1
127.03942	0.8
129.05472	2.3
129.07001	1.3
131.08557	10.0
133.10123	20.1
134.10492	1.0
135.08029	2.5
135.11690	9.6
137.09596	2.1
139.11255	1.0
143.08527	0.7
145.10139	2.4
147.08104	1.1
147.11684	3.2
149.09689	0.7
149.13242	15.2
151.11197	5.9
155.10655	1.8
157.10110	0.8
159.11678	8.5
163.11188	2.8
165.12863	1.6
169.12340	1.1
171.11639	0.9
173.11726	7.1
177.12793	4.9
181.12221	1.7
183.13806	2.4
187.13309	2.3
191.10655	1.4
193.12320	1.3
195.13783	15.0
199.13318	3.1
209.11749	2.6
211.13322	1.5
213.14825	1.5
213.42830	0.7
225.14893	1.3
227.12820	2.2
229.14326	24.1
239.16382	0.8
243.13441	0.7
257.13824	1.3
257.17401	1.3
267.15942	2.7
269.17456	48.8
270.17810	0.9
283.15454	2.3
301.16470	7.2
301.20117	12.5
302.20718	1.1
393.26587	1.4
411.27310	2.9
423.27307	17.0
424.27847	2.1
437.28976	48.1
438.29321	4.7
451.30447	5.2
463.30533	20.3
464.31033	2.8
477.28036	1.3
495.33594	63.3
496.34125	5.8
513.30615	4.9
514.30579	1.9
607.35010	1.0
693.39044	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.2
55.01870	1.6
55.05510	3.5
55.06606	0.3
57.03443	3.1
57.07075	0.4
59.04998	0.6
61.02924	4.8
65.05616	0.3
67.05503	6.7
68.05834	0.5
69.03431	3.3
69.07066	2.0
71.01361	0.8
71.04984	1.8
73.02917	3.6
79.05486	6.4
80.05814	0.6
80.42202	0.4
81.03420	4.2
81.07058	8.7
82.03746	0.5
82.07400	1.2
83.01345	0.8
83.04981	2.4
83.08619	3.2
84.08912	0.3
85.02905	5.3
85.06553	0.9
86.03220	0.3
87.04477	0.5
91.03954	2.7
91.05475	4.3
92.05809	0.6
93.07046	6.5
94.07385	1.0
95.04967	2.6
95.08607	2.7
96.05345	0.4
97.02886	4.9
97.06524	1.8
97.10167	1.2
98.07381	0.4
98.22532	0.7
99.04475	1.0
101.02396	1.7
105.07022	2.7
106.07363	0.6
107.04954	2.2
107.08591	4.4
108.08955	0.4
109.02888	1.0
109.06512	1.8
109.10159	1.6
110.10501	0.4
111.04454	1.0
111.08111	1.1
115.03948	0.6
115.05457	0.4
116.04698	0.5
116.83240	0.4
117.07014	1.9
119.08582	2.6
121.06528	1.0
121.10152	2.5
123.08073	1.3
123.11762	0.5
125.05979	0.5
125.09624	0.8
127.03971	1.6
129.05490	0.9
129.06993	0.4
131.08580	1.6
133.10129	1.9
135.08084	0.6
135.11700	3.5
137.09604	0.5
145.10130	2.7
147.08060	0.4
147.11716	0.7
149.05997	0.3
149.13280	1.1
150.13588	0.4
151.03912	0.4
153.01891	1.0
153.12741	0.7
155.08537	0.5
159.11647	0.5
163.11186	4.2
164.11539	0.4
173.09624	0.9
173.11839	0.6
181.12306	0.5
185.04282	0.6
191.10696	0.6
193.12267	0.8
195.13889	0.7
209.11763	1.2
210.12077	0.5
217.69176	0.3
218.81300	0.4
227.12909	0.9
230.57858	0.4
243.08351	2.1
245.07994	0.4
249.11111	0.8
267.16000	1.2
268.16174	0.4
269.17416	3.5
270.17767	2.4
283.15436	2.3
284.15884	1.1
285.16962	0.9
286.17346	0.5
301.16464	1.2
302.16711	1.7
310.08484	0.3
399.32092	0.3
423.27097	0.8
424.27826	0.7
438.25833	0.4
460.27966	0.4
461.29041	0.5
467.18866	15.6
468.19305	1.0
475.30255	0.4
477.28613	0.9
478.28827	3.5
479.29785	2.1
495.29776	1.4
496.29919	4.7
650.21930	0.4
693.30811	100.0
694.31256	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	693.3448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.8
61.39885	0.5
67.05495	1.5
69.07051	0.7
70.48532	1.8
72.66850	0.5
79.05476	0.7
81.07063	1.6
93.07028	1.7
95.08587	1.3
107.08558	0.8
109.98071	0.6
119.08559	0.5
133.10106	0.8
139.00745	0.6
569.50873	0.6
595.47089	0.7
693.34332	100.0
694.34802	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	693.345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35498	0.2
55.05504	0.5
56.93077	0.3
65.01633	0.3
67.05505	0.5
69.07048	0.5
69.71757	1.5
79.05495	0.6
81.07046	0.7
91.05495	0.5
93.07039	0.4
95.08585	0.6
97.10107	0.3
98.23219	0.4
105.07060	0.4
107.08617	0.3
113.84734	0.3
121.10137	0.3
123.85023	0.3
144.53740	0.3
147.04349	0.4
170.15036	0.3
175.72397	0.3
185.52045	0.3
267.40445	0.3
280.05945	0.3
283.52692	0.3
467.10559	0.3
620.50977	0.3
693.34039	100.0
694.34393	14.0
694.45453	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3816
Annotation	Unknow
Peak:m/z	Relative Intensity
69.16669	5.9
71.40455	0.7
75.52794	0.6
75.80335	0.6
79.05498	0.9
80.02389	1.3
82.49583	0.7
91.05469	1.2
95.08591	0.9
105.07007	2.3
107.04723	1.8
133.06468	2.4
135.04132	1.2
135.07887	1.6
135.14885	0.6
137.05937	0.9
147.07877	1.0
149.09439	1.5
150.10193	0.9
163.07358	0.8
165.09067	1.4
177.08868	1.3
185.04193	1.6
187.07193	0.8
193.08603	5.1
194.09004	1.0
201.05237	1.5
216.07568	14.2
217.08244	3.7
217.15523	0.9
219.13507	7.3
220.10670	1.3
221.15160	1.0
233.14955	1.0
245.11462	6.1
246.12111	0.7
247.13037	8.3
248.13437	0.7
261.14478	1.0
261.18378	0.9
289.17920	1.8
289.21399	3.2
303.23114	1.4
305.20905	3.0
315.19119	1.1
319.22424	1.4
329.20792	1.2
330.21588	1.3
331.22321	2.9
333.20343	6.4
340.59760	0.7
347.21976	2.4
351.16809	0.8
379.13617	24.2
380.13947	2.0
399.25067	1.5
413.26434	0.9
467.31158	0.9
468.25711	1.2
468.32089	17.9
469.32913	4.1
473.93002	0.7
484.31555	14.4
485.25632	1.1
485.32083	5.6
495.30652	4.0
497.28174	1.0
512.31104	20.3
513.31818	9.5
514.32147	1.4
530.32153	1.6
531.32471	2.5
631.38123	10.7
632.38647	1.6
647.37531	12.4
648.38196	1.5
657.35486	1.0
675.37097	48.6
676.37219	8.4
693.21552	19.9
693.37756	100.0
694.21289	3.3
694.39386	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	693.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	10.0
57.07076	12.7
61.14114	7.3
67.05507	53.3
69.07066	24.9
79.05492	46.1
81.07059	50.5
83.08598	10.2
91.05488	29.6
92.54124	8.6
93.07036	57.6
95.08612	54.0
98.33394	7.9
98.98476	26.3
105.07046	19.4
107.08582	23.8
109.10182	25.7
116.01659	8.9
117.06957	8.9
119.08597	13.9
121.10155	28.8
131.08604	20.3
133.10138	13.8
135.11690	18.3
145.10127	18.0
147.11678	9.1
159.11713	12.0
175.14862	12.2
187.14880	8.7
205.28157	10.1
261.22198	20.9
355.14981	11.0
379.25574	8.7
447.41617	10.2
521.45001	9.0
573.48438	12.4
595.46899	100.0
596.47113	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	694.4003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.6
55.01864	1.4
55.05507	12.3
57.03433	7.8
57.07072	3.6
60.07143	0.7
61.02922	23.8
65.03921	2.0
67.05499	77.3
68.05828	1.6
69.03434	3.7
69.07062	12.3
69.54560	1.6
69.54964	3.1
71.04989	3.7
71.08620	1.3
73.02913	9.6
75.04464	1.3
79.05486	44.8
80.05846	1.1
81.03415	1.9
81.07050	86.7
82.07379	2.1
83.04972	1.8
83.08611	8.2
85.02898	33.2
85.06556	2.7
91.03951	23.8
91.05472	21.8
91.06041	1.2
93.07037	55.7
94.07383	1.6
95.04967	3.0
95.08598	63.4
96.08942	2.2
97.02884	14.7
97.06514	3.8
97.10159	4.4
98.22533	1.4
99.04456	1.5
99.08097	2.7
103.04031	0.8
105.04520	0.9
105.07021	17.8
107.08587	35.9
108.08967	1.1
109.02885	1.2
109.06474	1.8
109.10150	35.1
110.10493	1.3
111.08091	3.1
113.09618	2.2
115.03948	1.8
117.06998	9.7
119.08582	16.4
119.09389	1.1
121.10133	40.1
123.08068	1.3
123.11698	18.5
125.09583	2.0
126.19488	0.8
127.03920	9.6
127.11191	1.0
131.08554	22.8
133.10121	15.5
135.11681	30.2
136.12100	0.8
137.09642	2.6
137.13242	6.5
139.11182	2.2
145.04959	11.7
145.10107	16.2
147.11665	13.9
149.13249	23.0
149.14421	1.7
151.11165	3.0
151.14836	2.7
153.12755	1.1
159.11685	15.0
161.13242	13.1
163.06010	19.2
163.07402	0.9
163.11218	1.1
163.14812	14.5
165.12747	2.4
169.97702	0.8
171.11569	0.9
173.13249	18.8
175.14832	3.4
177.12730	2.4
177.16377	6.4
179.14333	3.0
184.07358	2.0
187.14786	10.6
191.14304	2.6
201.16412	3.2
205.15886	2.0
215.18007	1.2
219.17456	1.6
233.22621	3.0
243.18704	0.8
243.21059	38.4
244.21455	3.5
261.22113	100.0
262.22488	8.9
263.23596	1.2
279.23135	5.4
317.24756	2.4
335.21643	1.0
335.25754	35.1
336.26120	3.7
353.26825	57.1
354.27365	4.7
360.71362	0.8
450.79898	0.8
464.12305	0.8
479.30026	1.2
497.31122	5.4
498.31265	1.0
630.52460	0.9
694.38110	1.3
694.55005	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33477	0.9
52.67931	1.1
53.03953	3.6
55.01880	1.4
55.05513	10.7
57.03437	4.3
57.07075	3.2
60.51632	1.0
61.02926	26.4
64.86208	1.0
65.03951	2.0
67.05505	60.3
69.03431	3.8
69.07070	11.9
69.54620	2.4
69.55030	2.7
71.04985	1.9
73.02915	9.7
75.04478	1.3
79.05495	41.6
81.03409	2.2
81.07056	68.6
82.07381	1.1
83.04974	2.0
83.08620	8.5
85.02904	31.5
85.06554	2.8
91.03955	24.3
91.05481	21.4
91.06044	1.4
92.05827	1.0
93.07043	53.2
94.07413	1.0
95.04943	1.1
95.08607	50.9
96.08940	1.6
97.02892	13.5
97.06552	2.8
97.10179	2.3
98.23244	1.9
99.04467	1.8
99.08093	2.0
105.07034	15.8
107.08594	33.5
109.06521	1.8
109.10164	29.0
110.10509	1.4
111.08140	1.5
113.09655	1.2
115.03946	1.2
117.07013	7.8
118.29539	1.1
119.08586	15.7
121.10142	34.3
122.10480	1.2
123.08064	1.2
123.11710	14.7
124.12072	1.2
125.09628	1.6
127.03921	9.3
131.08560	19.7
131.09439	1.7
133.10124	14.2
135.08101	1.3
135.11685	28.3
137.09654	1.9
137.13255	5.2
139.11177	1.5
145.04976	12.7
145.10127	14.2
147.11703	10.6
149.13255	18.7
151.11209	1.3
151.14830	2.4
153.12737	1.7
159.11699	15.1
161.13239	10.2
163.06012	20.5
163.07263	1.5
163.14824	15.8
165.12772	3.8
173.13260	15.2
175.14854	3.6
177.12856	1.3
177.16353	6.1
179.14301	2.4
187.14828	9.5
189.16356	2.1
191.14371	1.3
201.16341	2.4
205.15958	2.2
215.17973	1.5
229.54514	1.0
233.22701	3.2
238.54100	1.2
243.18600	1.9
243.21080	36.2
244.21585	2.3
260.06183	1.1
261.22131	100.0
262.22458	8.6
263.23813	3.1
279.23193	2.7
335.25815	16.0
353.26877	46.4
354.27133	5.2
497.30774	1.3
567.69781	1.1
694.40503	2.1
695.38623	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4885
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02358	0.9
53.03938	3.6
55.01860	2.4
55.05512	11.5
57.03435	1.4
57.07057	3.1
59.04995	1.8
65.03931	1.7
67.05504	21.6
69.03423	4.7
69.07066	14.2
71.04993	34.4
71.08620	1.1
73.06541	5.4
79.05491	19.7
81.03409	5.4
81.07056	45.9
83.04983	4.5
83.08615	7.1
85.02880	2.4
85.06541	3.4
91.05480	20.8
93.06447	1.9
93.07044	38.3
94.07368	0.8
95.04951	4.1
95.08605	49.0
96.08923	1.3
97.02894	1.8
97.06525	5.2
97.10171	3.6
98.22632	1.8
99.08102	5.3
101.97461	0.9
103.03919	1.0
103.05417	1.2
103.08836	0.8
105.07029	48.9
106.07332	1.4
107.04952	1.3
107.08590	38.5
108.08895	1.0
109.06520	3.7
109.10151	24.3
110.10517	1.2
111.04425	0.9
111.08083	2.5
113.09640	1.2
115.05484	1.1
117.07018	6.2
119.08574	18.4
121.06516	2.0
121.10150	24.8
122.10465	1.2
123.04429	1.9
123.08054	3.3
123.11717	11.2
125.09628	29.9
127.03872	1.4
127.07548	3.3
127.11221	4.3
129.07007	2.6
130.07820	1.5
131.08563	12.7
133.06465	1.4
133.10124	77.1
134.10454	2.0
135.08049	1.7
135.11667	6.9
137.05943	1.4
137.09628	3.3
139.11191	2.0
142.07791	0.8
143.08588	4.3
143.10674	31.5
144.09325	1.0
145.10114	15.4
147.08020	1.5
147.11682	20.6
148.12062	0.9
149.13258	33.5
149.14464	1.7
150.13556	2.6
151.11151	5.4
155.08498	1.3
157.10127	3.3
159.11685	13.5
161.09654	1.5
161.13277	8.8
163.11157	1.6
165.12691	1.0
167.14314	100.0
168.14648	4.6
169.10126	1.6
169.12233	2.9
171.11710	2.1
173.09613	2.0
173.13242	4.1
175.11186	1.8
175.14821	3.0
177.16476	1.0
179.14343	1.1
185.13158	1.9
187.11162	1.3
187.14832	2.2
191.17950	1.6
193.08582	1.0
195.11700	1.6
197.13377	1.1
199.14859	2.2
201.16379	13.1
202.16667	1.6
203.14255	1.3
203.17967	3.2
205.12202	1.2
211.09659	1.9
211.14847	0.9
211.84084	0.8
213.12828	1.0
217.15950	1.1
219.17435	36.1
220.17805	2.9
221.15324	1.1
221.58812	0.8
228.73680	0.9
231.13884	2.0
231.17451	1.0
237.18501	5.6
249.14908	1.8
259.20557	1.0
261.22128	2.4
277.21884	0.9
302.12903	0.9
303.23132	1.6
351.23459	0.9
369.24234	2.7
387.25104	4.1
390.23578	0.9
405.26257	3.5
552.84381	0.9
677.39911	1.8
695.39624	1.2
706.54163	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.7
55.01866	0.5
57.42368	0.2
65.03934	0.3
67.01864	0.4
68.99792	2.4
69.03413	0.5
71.33585	0.4
79.05492	0.4
81.03410	3.2
85.02903	2.0
89.03913	0.8
91.21311	0.2
91.70905	0.2
93.03388	0.5
95.04964	0.5
97.02884	0.4
99.04438	1.2
103.05463	0.4
105.03350	0.2
107.04955	3.1
109.02867	3.2
111.00773	1.6
111.04422	1.4
115.05431	0.4
117.03360	0.6
121.02856	0.7
123.04424	13.3
124.04778	0.5
127.03905	100.0
128.04243	2.3
128.06223	0.3
129.06967	0.5
131.04932	1.0
135.04405	25.9
136.04706	0.5
137.02338	1.0
137.05968	0.2
139.03900	5.1
141.06975	0.8
143.04869	0.6
147.04405	0.8
149.02338	2.4
149.05972	0.9
151.03888	2.0
153.06924	0.4
155.03415	0.3
155.04909	0.5
157.06509	0.8
159.04420	2.4
161.05940	1.8
163.03889	27.1
164.04298	0.8
167.03395	3.1
169.06514	1.2
173.05989	2.1
177.05482	1.6
179.03398	0.3
181.06471	0.7
183.04384	0.6
185.06042	0.4
187.03851	4.7
187.05292	0.3
187.07530	0.5
197.05975	3.1
199.07582	0.4
201.05455	3.4
203.03334	0.4
203.07007	1.9
205.04933	1.3
209.06091	0.3
213.05554	0.5
215.06967	2.4
225.05469	0.8
227.07045	0.4
229.04980	2.3
231.06509	0.7
243.06505	4.5
245.08055	6.1
246.08371	0.3
247.06004	9.3
248.06377	0.3
251.07104	0.3
253.04938	0.6
255.06458	3.8
256.07065	0.9
257.08078	0.9
259.06110	1.3
261.07462	0.7
267.06454	0.7
269.08148	0.7
271.05984	15.6
272.06287	0.8
279.06500	2.0
281.07950	0.3
283.05972	0.4
285.07501	0.3
287.05499	0.7
289.07022	13.7
290.07410	0.9
297.07645	0.7
321.07703	0.3
356.86407	0.2
363.08701	0.4
365.10303	0.5
381.09695	3.0
389.10095	1.1
391.10086	0.3
393.09662	1.0
394.10300	0.3
401.89023	0.3
405.09555	0.5
407.13666	1.4
515.13226	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11114	0.2
53.03942	0.5
55.01873	0.7
57.03443	0.2
63.88353	0.2
65.03943	0.5
67.01861	0.5
67.05506	0.3
68.99783	2.3
69.03433	0.7
69.03799	1.8
71.01338	0.2
71.05009	0.2
71.12428	0.2
77.03957	0.3
79.05493	0.5
81.03413	3.2
85.02898	1.6
87.22208	0.2
89.03905	0.8
93.03407	0.2
95.04962	0.4
97.02871	0.6
98.23352	0.3
99.04436	1.4
103.05457	0.5
105.03393	0.3
107.04952	3.1
109.02882	2.7
111.00813	1.2
111.04457	1.3
115.05466	0.4
117.03378	0.7
121.02870	0.7
123.04425	11.7
124.04794	0.2
127.03909	100.0
128.04247	2.0
129.07008	0.3
131.04919	1.8
135.04408	26.7
136.04796	0.6
137.02342	0.4
137.05974	0.3
139.03894	4.6
141.07016	0.9
143.04893	0.5
145.04982	0.3
145.06493	0.3
147.04419	0.8
149.02338	2.1
149.05957	1.4
151.03925	1.4
153.01788	0.2
153.07031	0.4
155.04924	0.5
157.06502	0.8
159.04417	2.6
161.05988	1.5
163.03899	26.3
164.04254	1.0
167.03435	3.4
169.06508	1.5
172.13290	0.2
173.05977	2.1
175.03827	0.2
175.07530	0.4
177.05493	1.2
178.10371	0.2
179.03442	0.4
181.06462	0.7
183.04370	0.5
185.05972	0.7
187.03850	4.4
187.07523	0.7
197.05966	3.4
199.07622	0.4
200.04759	0.3
201.05481	3.0
203.06978	1.6
205.04964	1.4
213.05428	0.2
215.07028	2.6
223.05870	0.2
225.05446	1.3
227.06970	0.4
229.04947	2.5
229.08463	0.2
230.05405	0.2
231.06531	0.8
237.05460	0.2
239.07025	0.2
242.05562	0.2
243.06499	4.7
244.06932	0.2
245.04437	0.3
245.08076	4.1
245.10512	0.3
246.08351	0.2
247.05991	4.8
248.06432	0.2
251.06989	0.5
253.04997	0.5
255.06499	4.0
256.06943	0.5
257.07980	1.2
258.05209	0.2
258.08206	0.2
259.05969	0.4
261.07590	0.6
267.06436	0.5
268.07367	0.2
269.08081	0.6
271.05991	14.2
272.06226	0.9
279.06497	1.5
280.07098	0.3
283.05927	0.3
285.07730	0.3
287.05438	0.4
289.07040	13.6
290.07425	0.7
295.09628	0.2
297.07529	0.8
309.07886	0.2
363.08615	0.4
365.10196	0.9
381.09641	2.7
387.08597	0.2
389.10345	1.6
393.09641	2.0
394.09784	0.2
405.09613	0.8
407.13663	1.6
515.13501	0.3
543.14795	0.4
555.14740	0.3
591.14850	0.2
611.83258	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78547	0.8
55.05513	0.9
67.05502	3.2
69.07077	1.6
69.18209	1.7
69.18610	5.4
71.47416	0.8
79.05489	2.8
81.03416	1.3
81.07059	4.3
83.08635	1.4
83.66940	0.7
85.02899	1.1
86.09737	0.9
88.30138	0.9
91.05479	2.3
93.07042	2.5
95.04924	0.8
95.08611	2.3
98.23333	1.3
105.07043	2.3
107.08617	1.9
109.10161	2.3
119.08575	1.3
121.10148	1.7
131.08562	1.3
133.10118	1.5
135.11758	0.8
137.05957	1.6
143.08499	0.8
147.11678	1.4
151.03976	1.0
159.11691	1.0
171.11803	1.1
177.05504	1.8
181.04991	0.9
181.08560	0.7
192.40662	0.8
269.17441	0.8
351.11938	0.9
374.86765	0.8
377.02820	0.9
380.12662	1.0
451.15463	0.8
469.74905	0.8
480.30469	1.0
539.22900	1.0
585.34576	0.8
695.30103	100.0
695.41003	8.0
696.30414	17.4
696.41632	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98811	0.5
55.05514	0.8
67.05499	2.1
68.93268	0.5
69.07067	1.1
76.31750	0.6
79.05508	1.0
81.07058	2.2
86.09702	2.3
91.05489	1.4
93.07044	1.8
95.08573	1.4
98.08217	0.6
98.22617	1.8
99.39124	0.6
105.07036	1.6
107.04946	1.1
107.08594	1.3
109.10160	1.1
119.08575	1.4
121.10190	1.0
131.08569	1.1
133.10156	1.0
137.06009	0.8
145.10208	0.7
146.34932	0.7
151.03889	1.4
159.11691	0.8
161.06059	0.7
177.05470	0.8
227.13965	1.0
333.07281	0.9
340.22461	1.1
351.11990	1.1
480.30396	1.1
483.16379	1.2
500.31003	0.7
685.41797	0.7
695.30237	100.0
696.30518	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	695.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34164	0.3
53.03947	1.1
54.60530	0.3
55.01873	0.7
55.05510	1.6
57.03432	2.4
61.02927	5.2
65.03944	0.3
67.05504	4.3
68.05854	0.3
69.03434	2.7
69.07063	1.2
69.34051	0.2
71.01361	0.7
71.04988	1.4
73.02919	3.5
79.05487	4.0
80.05809	0.4
81.03414	6.5
81.07057	4.7
82.03770	0.5
82.07409	0.4
83.01354	0.8
83.04980	1.4
83.08613	2.2
85.02904	6.3
85.06529	0.5
86.09715	0.6
87.04451	0.4
91.03960	3.0
91.05473	4.2
92.05848	0.4
93.07052	3.4
94.07366	0.3
95.04973	2.5
95.08612	1.8
97.02888	4.7
97.06531	0.9
99.04470	1.0
101.02377	1.8
105.07030	2.4
106.07410	0.3
107.04953	1.3
107.08582	2.1
108.08925	0.4
109.02871	1.3
109.06537	1.0
109.10173	1.0
111.04447	0.4
111.08057	0.7
115.03948	0.4
115.05416	0.3
117.07037	1.0
119.04913	0.4
119.08578	2.4
121.06522	0.6
121.10143	2.1
122.10502	0.3
123.08109	0.7
127.03884	1.8
129.07050	0.7
131.08530	1.4
131.38995	0.3
133.06525	0.4
133.10143	1.4
135.08047	0.5
135.11703	1.4
137.05951	0.7
137.09598	0.3
145.05061	0.4
145.10107	1.8
147.04518	0.3
147.11708	1.1
149.09544	0.3
149.13289	0.6
151.07565	0.5
155.08565	0.3
157.10147	0.9
159.11772	0.3
163.11197	2.2
173.09769	0.3
175.03889	0.5
175.11201	0.5
181.12201	0.3
184.07352	1.8
185.04173	0.8
185.07849	0.3
191.10686	0.4
193.12273	1.5
194.12596	0.4
203.10725	0.8
207.06573	1.1
209.11757	0.3
211.13350	0.5
212.25969	0.3
227.12657	0.3
229.25684	0.2
243.08400	2.1
249.10947	0.5
251.12674	0.8
267.15958	2.0
268.16354	1.0
269.17419	2.2
270.17896	1.2
272.28702	0.3
283.15451	0.6
285.16711	0.4
294.31461	0.2
307.15298	0.3
319.68546	0.3
440.27386	0.5
461.29019	1.3
462.29355	3.0
466.11957	0.3
467.18896	8.2
468.19339	0.8
469.20477	5.1
470.20886	0.5
498.31454	0.5
695.32349	100.0
696.32739	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	695.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.5
54.03913	0.3
55.01871	0.6
55.05508	1.5
57.03438	2.3
61.02921	3.3
65.03931	0.3
67.05504	3.3
69.03429	2.3
69.07064	1.1
69.16132	0.6
69.16530	2.5
71.01350	0.4
71.04984	1.3
73.02913	2.6
79.05498	3.3
81.03422	4.0
81.07053	3.9
82.07372	0.5
83.04974	1.1
83.08598	1.5
85.02904	4.9
86.09701	0.4
87.04475	0.3
91.03949	2.5
91.05476	3.3
92.05801	0.3
93.07037	3.7
95.04976	2.1
95.08600	2.9
97.02895	3.6
97.06514	0.5
99.04436	1.3
101.02390	0.9
103.03951	0.4
103.05458	0.4
105.07025	2.3
107.04945	1.1
107.08603	2.4
109.02888	0.8
109.06522	0.7
109.10169	1.3
111.04458	0.8
111.08066	0.4
115.03954	0.5
117.07007	0.6
119.08568	2.6
120.08932	0.3
121.06479	0.4
121.10166	1.7
123.04447	0.7
123.08074	0.6
123.11685	0.3
127.03917	1.1
129.07036	0.7
131.08589	1.0
133.10127	1.2
135.08095	0.6
135.11671	3.0
137.05972	0.5
137.09639	0.7
145.04829	0.4
145.10104	1.7
147.08026	0.4
147.11694	1.3
149.09647	0.5
157.10138	0.8
163.11157	4.4
165.09222	0.4
165.12732	0.3
175.11179	0.9
177.09122	0.4
181.12259	0.9
184.07365	1.2
185.04195	0.8
188.09990	0.3
193.12242	1.5
203.05200	0.5
211.13348	0.8
219.09970	0.6
227.12721	2.6
243.08440	2.4
243.10588	0.4
249.10989	7.3
251.12555	0.6
267.15909	0.6
285.17029	0.6
305.10504	0.4
305.13293	1.4
306.60931	0.4
307.15128	0.4
317.81265	0.3
327.95486	0.3
409.69467	0.3
440.27295	0.5
462.29474	0.8
467.18851	8.0
468.19321	0.5
469.20422	8.3
470.21112	0.8
515.25140	0.3
526.00543	0.3
533.27307	0.7
546.06964	0.4
635.32489	0.3
695.32361	100.0
696.32794	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	695.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.9
56.53788	1.2
57.03428	2.1
57.07080	5.5
62.80757	1.4
62.87019	1.5
67.05501	10.0
69.03426	3.6
69.07075	5.5
71.05000	4.8
71.31807	1.9
79.05495	8.0
81.07056	14.0
83.04955	1.6
83.08601	2.7
85.06554	6.1
91.05470	7.6
92.43326	1.3
93.07046	12.6
95.04991	3.8
95.08605	7.0
97.06540	3.4
97.10153	2.0
105.07023	14.2
107.08570	9.2
109.06522	5.0
109.10181	4.7
111.08137	1.9
113.06033	2.8
117.07015	5.5
119.08586	11.1
121.06485	2.9
121.10150	10.7
123.04463	2.1
123.08088	2.2
123.11755	1.9
124.74093	1.2
125.09586	1.2
126.64293	1.5
129.06998	4.6
131.08565	8.7
133.10138	9.8
135.08051	3.5
135.11691	4.6
137.05986	2.8
137.09641	2.7
139.11157	6.8
141.05466	2.2
141.06924	2.0
142.07814	4.0
143.08566	6.8
143.10674	1.8
144.41911	1.3
145.10201	6.7
147.08054	4.9
147.11703	8.4
149.09593	2.7
151.07570	4.6
153.05479	4.6
156.09377	2.3
157.10130	10.0
159.08049	2.8
159.11662	6.7
161.09570	6.5
163.07603	1.4
165.09143	3.2
167.10742	1.8
171.08139	2.0
171.11766	2.8
173.09663	1.9
173.13283	3.9
175.07555	6.7
175.11191	12.8
175.14827	2.1
177.05521	1.8
177.09137	2.2
179.07039	3.5
185.09616	4.6
185.13165	1.9
187.07585	1.7
189.09134	5.6
189.12718	3.4
189.16406	3.1
191.07101	2.1
191.14333	2.9
193.08636	4.8
196.85542	1.3
199.11176	1.3
199.14847	6.2
201.05496	1.4
201.16382	1.7
203.10663	50.0
203.14398	1.7
204.11075	2.5
205.08609	4.4
207.10211	2.2
209.08022	2.2
211.09642	7.2
213.09114	5.9
215.07047	2.9
216.07678	1.7
217.12325	7.8
217.15869	9.7
218.16124	1.5
221.15448	1.7
223.09651	4.8
225.11256	6.3
227.10692	2.7
229.08720	4.2
230.09369	6.4
231.10161	72.8
231.13724	2.8
232.10551	3.8
235.13274	7.2
237.14767	8.6
245.11696	14.2
249.11215	94.9
249.14813	3.5
250.11739	6.8
255.10236	1.4
263.12820	19.2
263.16483	3.7
281.13782	2.8
285.14874	15.1
303.12631	2.1
303.15894	16.2
415.21109	5.9
443.24200	3.7
449.23447	3.5
458.14438	1.7
459.19452	3.6
467.24182	9.8
469.25360	1.8
485.25339	100.0
486.25629	13.9
499.27252	1.6
530.39264	2.4
537.29291	1.4
597.48883	4.0
602.39948	1.6
611.19226	1.4
627.08502	1.4
673.99542	1.4
677.31799	5.2
677.40332	6.3
695.43414	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	695.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	14.0
57.07080	18.3
67.05508	33.6
69.03435	7.7
69.07070	22.7
69.25316	24.7
71.04974	2.8
74.42097	3.0
74.97116	3.2
78.60494	2.9
79.05486	21.4
80.40161	2.8
81.07056	43.5
83.04958	3.0
83.08617	10.2
85.06559	10.1
91.05482	29.9
93.07053	32.9
95.04964	6.5
95.08608	35.1
97.06524	10.0
103.05465	5.5
105.07030	59.8
107.04981	4.9
107.08599	39.1
109.06503	9.5
109.10154	19.8
111.08089	4.3
113.13042	3.0
117.06997	7.6
119.08591	36.1
119.47386	3.0
121.06493	9.9
121.10143	22.3
123.08064	12.1
123.11710	10.1
127.07603	3.7
128.06242	3.7
129.07030	5.8
131.08577	14.6
133.10130	30.2
135.08051	10.9
135.11659	12.1
137.06035	5.7
137.09627	29.9
139.11229	5.0
142.07762	12.8
142.72754	3.5
143.08559	14.4
145.10098	19.5
147.07996	7.7
147.11696	26.3
149.05966	11.9
149.09616	4.9
149.13261	3.9
151.11162	12.0
153.05440	10.0
156.09261	5.0
157.10130	29.1
159.11697	17.1
160.08771	3.5
161.09682	19.5
161.13254	8.5
163.11153	3.9
165.09039	4.7
167.10696	4.2
169.05003	8.0
169.10071	3.6
171.11694	6.6
173.09628	4.1
173.13290	5.1
175.07655	5.0
175.11179	28.1
175.14819	9.4
177.12856	4.4
179.10728	3.4
183.11780	3.5
189.16449	19.5
191.07053	12.3
193.08583	11.7
193.12279	5.2
199.14850	18.3
205.08585	7.0
211.09607	16.8
217.15897	54.2
218.16176	4.9
223.09738	5.5
225.11171	19.4
233.11827	6.2
235.13316	17.4
235.16936	9.2
237.14922	9.2
243.17834	3.3
249.14909	9.2
253.35841	3.3
257.11926	4.2
263.12610	4.6
266.38220	3.3
275.12662	6.5
276.43658	3.7
339.19778	3.8
357.20645	5.8
363.10455	3.7
398.63370	3.8
409.23651	5.2
423.25266	14.4
427.25009	15.6
441.26456	15.4
443.24210	5.2
495.31577	7.0
499.26755	5.5
541.27905	5.4
597.48535	6.6
641.38190	5.6
659.39313	42.1
660.39471	7.4
677.40436	100.0
678.40906	15.6
695.41156	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	695.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.2
55.05507	11.8
57.03430	4.4
57.07077	19.7
65.84460	4.2
67.05515	23.3
69.03429	13.4
69.07070	21.1
69.20602	4.4
71.05000	7.4
71.31370	8.0
79.05498	25.1
81.07059	48.4
83.04985	6.9
83.08611	7.1
85.06573	5.3
91.05478	33.6
93.07053	31.5
95.04963	4.8
95.08612	46.5
97.06527	11.6
102.15501	4.7
105.07027	67.0
107.04918	5.0
107.08601	40.3
109.06539	12.4
109.10149	21.1
117.07020	9.9
119.08578	47.3
121.06499	13.0
121.10171	29.5
123.08075	8.2
123.11678	5.9
125.06011	6.5
125.09645	5.1
129.06985	8.0
131.08585	30.8
133.10136	45.8
135.08070	15.2
135.11729	10.4
137.09641	17.1
137.13319	5.8
141.05473	6.9
142.07819	12.2
143.08574	18.0
145.10123	16.5
147.08026	10.6
147.11665	29.9
149.09641	10.3
149.13202	5.8
151.11153	9.9
153.05447	11.4
157.10129	33.8
159.11714	19.3
161.09604	31.2
161.13261	18.5
163.07539	4.1
165.05505	6.1
169.04961	7.6
171.11688	9.4
173.13248	12.4
175.11230	26.3
175.14865	15.5
177.09018	4.0
177.12828	5.0
179.14391	6.4
187.11099	5.0
187.14893	4.8
189.16400	35.7
191.06989	7.7
199.14824	40.5
200.15541	5.6
203.14326	7.3
205.08655	10.3
207.10173	9.1
211.09711	15.9
217.12552	6.3
217.15887	73.5
218.16435	5.5
223.09683	6.7
225.11230	38.8
231.13942	6.1
233.07916	3.9
235.13344	6.5
235.16919	8.4
237.11171	8.1
237.14899	14.0
249.11328	9.2
249.14891	11.7
259.13446	6.6
261.11374	8.1
277.44205	4.1
339.19876	7.3
357.20630	5.9
393.51657	4.6
418.24377	5.3
423.25238	6.4
427.24506	5.6
441.26569	23.5
443.24319	9.2
461.25589	4.6
495.30911	14.2
501.24725	15.8
571.05603	4.5
575.33966	7.1
655.88098	4.9
659.38995	13.4
677.40527	100.0
678.40454	16.4
695.41571	46.8
696.40912	6.5
721.65826	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	696.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20706	0.9
53.03938	2.0
55.01875	1.4
55.05253	1.5
55.05505	18.8
57.03429	5.8
57.07072	10.9
61.02924	28.6
65.03934	2.4
67.05502	72.3
68.05834	1.8
69.03434	5.1
69.07064	24.1
71.04977	2.6
71.08624	7.3
71.32669	1.2
73.02912	9.7
79.05488	19.9
80.05805	0.9
81.03410	2.6
81.07053	87.0
82.07368	2.0
83.04974	2.9
83.08614	18.4
85.02900	28.5
85.06525	2.6
85.10181	3.0
86.03259	1.0
90.77171	1.0
91.03950	25.1
91.05474	16.8
93.07040	25.2
95.04960	1.4
95.08600	71.1
96.08926	2.6
97.02889	15.2
97.06514	7.4
97.10162	12.4
97.47010	1.0
99.04450	2.1
99.08087	3.9
105.07021	10.8
106.07347	1.5
107.08580	18.7
109.06527	1.1
109.10151	40.1
111.08075	5.2
111.11718	4.5
113.09644	1.9
115.03941	1.3
117.07026	1.2
119.08570	14.9
121.10136	23.2
122.10460	1.0
123.08062	1.5
123.11700	20.6
123.12532	1.8
125.09579	1.5
125.13226	2.1
127.03914	11.4
127.11224	1.5
133.10127	17.2
134.10446	1.1
135.11688	12.9
137.05949	1.3
137.09601	1.8
137.13245	9.3
138.99866	0.8
139.11142	1.1
141.12718	3.9
145.02888	1.1
145.04948	14.4
145.10101	2.3
147.11664	10.9
149.06020	1.0
149.13257	13.3
149.37460	0.9
150.13615	0.9
151.11185	2.2
151.14825	6.6
153.12747	1.6
155.14308	3.5
161.13261	14.0
162.13559	1.9
163.06020	25.5
163.14818	13.4
165.12729	1.5
165.16434	8.6
167.14381	1.6
175.14822	12.6
177.05438	1.7
177.16368	2.1
179.14337	1.1
179.17918	9.2
181.15926	1.7
189.16399	4.6
191.17969	0.9
193.15831	1.5
203.18030	2.0
207.17407	1.2
217.19582	2.2
245.22639	68.1
246.23010	5.7
263.23688	100.0
264.24084	8.8
265.25272	3.4
281.24759	1.7
337.27347	46.9
338.27579	4.5
355.28522	7.7
356.28537	0.9
499.32147	1.4
635.45056	1.8
696.43994	9.4
697.44995	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	696.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.6
55.01873	1.1
55.05508	21.3
57.03435	6.7
57.07072	9.1
61.02618	1.7
61.02921	29.6
61.49488	0.8
65.03931	1.8
67.05500	82.1
68.05832	1.9
69.03443	4.7
69.07063	26.6
69.24323	3.0
69.24749	4.2
71.04974	2.1
71.08627	6.9
73.02908	10.3
75.04482	1.0
76.28488	0.8
79.05485	24.2
81.03397	3.3
81.07049	93.8
82.07385	2.1
83.04969	1.4
83.08614	22.8
85.02899	27.8
85.06548	2.8
85.10160	3.5
91.03947	27.2
91.05468	19.9
93.07033	28.4
94.07413	0.9
95.04973	2.1
95.08598	82.5
96.08926	2.0
97.02882	14.4
97.06515	8.0
97.10159	13.6
98.22497	1.0
99.04419	1.5
99.08083	3.6
103.03886	1.2
105.04490	0.9
105.07017	11.9
107.08582	20.1
109.02849	1.3
109.06529	1.5
109.10147	40.5
110.10481	1.2
110.70876	0.9
111.08057	3.8
111.11723	3.9
113.09626	2.5
115.03928	1.6
116.30492	0.9
117.06956	0.9
119.08572	14.7
121.10127	22.5
122.10455	0.9
123.11692	19.9
125.09569	1.3
125.13260	1.7
127.03915	9.6
133.10127	17.7
135.11682	13.2
137.09607	2.4
137.13240	8.0
139.11162	1.9
141.12726	4.1
145.04941	11.3
147.11664	12.5
149.13263	12.4
151.11171	1.5
151.14815	6.6
155.14290	3.6
157.12251	1.0
161.13246	13.6
163.06021	17.7
163.14807	11.8
165.12755	1.6
165.16406	8.8
167.14357	1.7
175.14787	10.7
177.16373	2.7
179.14365	1.3
179.17911	8.3
181.15828	1.6
189.16406	4.3
193.15898	1.4
200.81406	1.0
203.18089	1.2
207.17526	1.2
217.19492	1.7
245.22632	64.9
246.22942	6.1
261.90784	0.8
263.23682	100.0
264.23959	6.9
265.25363	1.3
281.24786	3.1
337.27328	65.2
338.27701	7.2
355.28366	12.1
481.31171	1.0
499.32794	4.3
516.20618	1.2
696.42419	1.3
697.43372	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	696.5399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.4
53.03944	1.6
55.01861	0.4
55.05255	0.4
55.05509	7.5
55.05774	0.5
56.04774	0.3
56.05037	4.0
57.03426	0.6
57.06806	0.3
57.07072	3.0
58.02946	0.3
58.06588	0.6
60.04522	2.2
61.02912	0.7
65.03957	1.0
67.04259	0.5
67.05502	13.1
68.05020	1.0
69.03423	2.3
69.07066	9.1
70.06589	2.9
70.83657	0.5
71.08636	1.6
72.04520	0.3
73.02904	0.3
76.03999	0.4
77.03918	0.3
77.32807	0.2
79.05492	10.7
80.05016	3.5
80.05782	0.3
81.03410	1.2
81.05804	1.6
81.07053	10.9
82.06578	6.8
82.07348	0.5
83.08620	5.5
84.08125	0.7
84.08952	0.2
85.02904	4.2
85.10172	0.9
86.06040	0.5
87.04449	0.3
91.05479	9.7
93.05780	0.7
93.07041	10.6
93.41255	0.2
94.06565	19.1
95.04950	1.4
95.07355	8.9
95.08603	8.6
96.08134	6.1
96.08835	0.3
97.02897	1.9
97.06533	0.5
97.08439	0.3
97.10170	2.9
98.06074	0.4
98.98457	0.5
99.04418	0.4
100.07603	0.4
103.05457	0.2
105.04498	0.5
105.07024	6.0
106.06530	0.4
107.07362	0.6
107.08588	5.4
108.08126	3.6
108.08827	0.4
109.02872	0.7
109.10149	2.8
110.09703	0.5
111.11706	0.9
114.09147	0.2
117.06973	0.3
119.08579	5.5
120.08081	0.3
120.08858	0.2
121.08886	0.6
121.10139	6.1
122.09666	2.5
122.10445	0.3
123.11736	1.6
124.11235	0.4
125.13229	0.2
127.03922	0.7
131.08536	0.3
133.10126	3.4
134.09615	0.5
134.10489	0.2
135.10452	0.9
135.11674	2.6
136.11185	0.7
137.13184	0.5
145.04999	0.2
147.11691	1.2
149.13239	0.8
150.12717	0.2
151.14763	0.7
161.13220	0.7
163.14798	0.5
175.14790	0.4
182.19107	0.3
185.83229	0.2
193.19502	0.6
196.20728	0.2
217.19456	0.4
219.21033	0.9
220.20607	0.3
233.22626	2.8
234.22322	0.6
237.22064	0.4
245.22662	4.7
246.22842	0.3
247.24147	0.3
250.25323	6.0
251.25648	0.5
254.24763	1.6
260.23709	0.4
262.25284	100.0
263.25717	7.3
264.26846	0.8
272.25836	5.2
273.26187	0.3
280.23361	0.4
280.26343	6.1
281.26767	0.3
282.24060	0.2
296.25800	0.3
310.27335	0.2
312.25314	1.0
314.26886	0.5
335.69852	0.2
336.28723	0.2
368.31689	0.3
431.98758	0.2
433.99893	0.2
442.31537	0.8
486.46640	0.3
498.45914	0.2
504.47827	2.9
505.47583	0.5
515.38013	0.2
516.47742	18.9
517.48199	3.4
518.49341	5.9
519.49738	1.5
534.48828	4.5
535.49182	0.7
548.77686	0.2
598.49219	0.4
599.50397	1.3
696.54065	2.2
697.53778	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03267	0.2
51.05899	0.2
55.05518	0.3
66.53587	0.2
76.89909	0.3
80.51118	0.2
81.07079	0.5
87.47432	0.3
91.05497	0.4
92.65434	0.3
100.11269	0.7
102.20127	0.2
111.04260	0.8
121.06532	0.3
123.04481	0.2
137.05927	1.3
138.06277	0.4
151.03923	0.5
153.01854	0.9
159.04160	6.6
167.07028	0.4
182.15443	0.7
190.02367	0.8
195.06606	0.4
198.14922	0.4
203.03401	0.2
210.14989	1.1
227.13078	0.3
229.29408	0.3
335.07489	0.7
369.13110	0.8
385.16296	0.7
426.54050	0.2
656.55597	0.3
679.49640	0.3
682.22931	0.3
697.24615	100.0
698.24927	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	697.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.5
57.03429	1.0
61.02926	3.2
67.05503	2.8
67.05814	0.5
69.03432	1.6
69.07075	0.7
71.04991	0.7
71.08597	0.4
71.31612	0.6
73.02917	1.5
79.05494	1.8
81.03406	1.7
81.07050	3.1
83.04997	0.6
83.08611	0.7
84.50468	0.4
85.02894	3.2
91.03965	1.9
91.05468	1.8
93.07060	2.0
93.45987	0.5
95.04945	0.5
95.08608	1.1
97.02889	2.8
97.06517	0.6
97.10132	0.4
99.04459	0.4
101.02357	1.0
103.03953	0.4
105.07005	0.7
107.05012	0.5
107.08558	1.0
109.02835	0.4
109.10149	1.0
117.06979	0.5
119.08631	0.7
121.10155	0.9
127.03914	1.2
131.08539	0.6
133.10107	0.7
135.11673	0.8
137.09549	0.5
144.21634	0.5
145.10143	0.4
149.13255	0.9
151.03835	0.4
159.11719	0.6
163.11201	0.6
177.53209	0.4
185.04219	1.7
195.13826	0.7
201.03732	0.5
203.05307	0.6
209.11829	0.5
230.92467	0.4
235.13004	0.8
243.08368	2.3
267.09305	0.4
267.12100	0.6
269.17465	0.6
286.39139	0.4
297.17468	0.4
301.08841	3.0
307.15576	0.5
315.10571	1.0
371.16879	1.0
373.11072	1.7
385.18320	1.5
387.12659	0.8
413.17950	0.9
417.26138	0.5
425.21805	0.5
429.17261	0.8
441.17468	1.5
453.20917	8.0
454.21582	0.8
457.20657	0.6
467.18942	1.0
469.20724	1.9
471.21967	0.9
483.21942	1.2
484.22955	0.9
485.19650	1.8
512.22083	0.9
525.23077	0.9
595.30780	1.2
596.31451	0.7
625.31982	1.9
651.33301	1.8
653.31647	1.4
679.32532	2.3
680.32806	0.5
697.32983	100.0
698.33411	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	697.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.4
55.05521	0.4
57.03433	0.5
61.02911	1.6
67.05508	2.2
69.03420	1.0
69.93673	0.8
69.94064	0.7
71.04999	0.4
73.02917	0.9
79.05492	0.8
81.03419	0.7
81.07064	2.1
83.08607	0.6
85.02903	1.3
85.07730	0.4
89.54733	0.3
91.03962	1.2
91.05474	0.8
93.07044	1.3
95.04970	0.5
95.08602	0.5
97.02901	1.4
97.06526	0.4
98.23322	0.5
100.93890	0.3
101.02388	0.5
107.08585	0.8
111.04443	0.4
121.10152	0.4
127.03950	0.4
135.11717	0.5
147.04405	0.4
149.13274	0.5
185.04187	0.5
195.13835	0.6
235.13171	0.5
243.08394	1.0
269.17447	0.8
285.10522	0.4
301.08835	2.0
319.56165	0.4
319.79745	0.4
373.11093	0.9
385.18362	0.7
408.09943	0.3
441.17523	0.6
453.20953	4.2
467.19153	0.3
469.19742	0.7
483.22186	0.6
485.20108	0.9
512.21051	0.4
525.23126	1.1
596.31598	0.6
625.31836	0.7
651.33374	1.0
653.30969	0.5
679.33044	1.5
697.32532	100.0
698.32806	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	697.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98098	0.1
51.02347	0.2
53.03938	0.8
53.47334	0.1
54.18809	0.2
55.01871	0.6
55.05515	1.2
57.03441	2.3
59.04982	0.2
61.02634	0.3
61.02928	4.7
65.03953	0.3
67.05507	2.4
69.03438	2.5
69.07070	0.9
69.12258	0.6
69.12673	0.9
71.01352	0.5
71.05003	0.8
71.60796	0.2
73.02915	3.4
73.03290	0.3
76.66574	0.1
77.74023	0.2
79.05496	2.7
81.02962	0.4
81.03422	5.0
81.07058	3.4
82.03772	0.2
83.04970	1.3
83.08622	1.5
85.02908	7.0
85.06567	0.2
86.03210	0.2
87.04471	0.3
90.92751	0.1
91.03953	2.8
91.05487	4.4
92.62958	0.2
93.07042	2.3
95.04973	2.1
95.08604	1.2
97.02893	3.8
97.06541	0.6
97.10198	0.3
99.04468	0.8
101.02384	1.6
103.03961	0.3
105.07028	2.8
106.07410	0.2
107.04967	0.8
107.08617	1.0
108.19591	0.2
109.02888	1.1
109.06529	0.6
109.10165	0.7
111.04454	0.4
111.08103	0.8
112.45512	0.2
113.06033	0.3
115.03950	0.2
115.05440	0.2
117.07050	0.3
119.04980	0.2
119.08583	2.4
121.06491	0.3
121.10150	1.2
123.08087	0.4
123.11703	0.3
125.49133	0.2
127.03915	1.7
127.07662	0.2
129.05478	0.2
129.06979	1.0
131.08551	1.2
133.06499	0.4
133.10135	1.7
135.11783	0.2
137.06010	0.4
137.09639	0.4
142.07782	0.3
145.04971	0.3
145.10123	0.4
147.08061	0.2
147.11694	1.7
149.09599	0.8
151.11256	0.2
157.10136	1.4
161.06042	0.3
163.11205	0.3
165.12749	0.2
167.07088	0.2
175.11212	1.1
185.04308	0.5
193.12244	2.1
203.05219	0.3
207.06500	0.3
209.15517	0.2
211.13342	0.9
243.08397	2.3
244.08894	0.2
251.12579	1.9
285.11227	0.3
285.17050	0.5
301.08820	0.2
307.15179	0.8
329.10480	0.2
464.26880	0.2
469.20465	12.5
470.20905	1.4
483.31128	0.2
535.28558	0.3
653.31555	0.2
679.33044	0.3
689.61902	0.2
697.34021	100.0
698.34387	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	697.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76658	0.8
55.01880	1.1
55.05527	1.4
57.03433	2.5
57.07052	1.2
61.02923	6.4
67.05501	4.6
69.03424	4.1
69.07045	1.3
70.57247	1.8
71.04963	1.4
73.02914	3.6
79.05492	2.7
81.03416	2.5
81.07054	5.2
83.01112	1.6
85.02903	6.0
85.06568	1.2
91.03942	4.4
91.05501	2.4
93.07045	3.6
95.08611	1.3
97.02890	5.6
99.04469	1.7
101.02351	2.4
105.07029	1.7
107.08553	2.4
109.02862	1.2
109.10120	1.8
121.10201	1.2
121.83009	1.0
127.03918	2.9
129.05461	3.2
135.11723	1.3
145.04980	1.3
149.13235	2.1
159.11746	1.5
181.04803	1.4
185.04224	7.5
201.03708	4.0
203.05318	1.6
230.27071	1.0
232.79718	1.0
235.13097	3.0
243.08392	6.1
259.07898	1.0
261.14670	2.9
262.51364	1.1
272.86343	1.0
275.16226	1.5
301.08920	20.2
302.09357	1.3
315.10553	5.0
327.10614	1.6
329.12158	1.7
333.16818	3.2
341.12146	2.2
351.17850	1.6
355.13654	1.2
357.15164	1.3
369.15521	1.5
371.16763	2.9
373.11011	9.3
379.17249	2.9
380.75330	1.1
383.16846	3.5
385.18338	9.5
387.12659	2.1
401.14246	1.7
415.16031	2.0
417.26010	2.7
423.20035	2.0
425.21674	2.8
429.17557	1.9
443.18692	6.5
453.20987	22.1
454.21320	2.2
457.20407	2.3
467.19144	1.5
469.20273	7.0
483.22189	3.4
484.22736	3.9
485.19919	1.8
489.27936	1.1
490.28787	1.0
499.21341	1.2
512.22388	3.5
525.23169	7.9
526.23492	1.4
527.28369	2.7
539.24738	2.5
553.26392	1.6
567.31470	44.9
568.31903	7.8
579.31470	2.9
581.28955	1.5
595.30743	6.6
596.31836	2.8
625.32269	2.1
635.34381	1.7
637.31793	1.5
651.33435	45.1
652.33673	9.2
679.33344	4.2
680.33398	1.4
695.32312	3.0
697.33936	100.0
698.34375	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	697.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96383	0.7
53.76535	0.9
55.01347	0.8
55.01856	1.6
55.05505	1.7
57.03432	3.5
60.14042	0.7
61.02932	8.8
67.05203	1.0
67.05505	10.7
67.11304	0.8
69.03432	4.3
69.07058	1.9
69.24011	2.5
69.24437	4.2
71.04992	1.4
73.02930	4.7
79.05498	3.1
81.03421	2.9
81.07058	7.8
83.08612	2.2
85.02899	6.9
87.93551	0.8
91.03951	5.5
91.05470	3.7
93.07063	4.0
95.08593	3.6
97.02893	5.0
98.23299	1.7
99.04472	1.7
101.02368	2.8
105.07025	2.3
107.08598	2.9
109.02884	1.0
109.10152	9.9
111.08056	1.2
117.06940	1.3
119.08562	1.9
121.10090	1.2
127.03910	3.6
129.05484	1.1
131.08542	1.0
133.06514	0.9
133.10141	2.4
135.11717	1.5
137.05940	1.4
145.05017	1.3
147.90057	0.8
151.03970	0.9
155.10661	1.8
159.11688	0.9
162.03197	0.7
162.50578	0.8
173.11720	1.4
177.05429	1.1
181.04895	1.1
185.04251	3.8
189.32683	0.8
195.09880	2.2
195.13948	1.2
199.05753	0.9
201.03682	2.0
202.58298	0.9
203.05292	1.5
221.11508	1.2
229.14293	1.5
235.13095	1.7
243.08400	3.7
247.16719	1.0
251.12541	1.2
269.17416	1.6
301.08856	5.8
315.10468	3.3
357.15131	0.9
363.21304	1.0
369.15179	1.8
371.16879	4.0
373.11044	2.8
385.18134	2.8
413.17813	19.5
414.17853	1.8
417.26303	0.9
425.21533	2.9
429.17337	1.3
453.20966	9.0
457.20773	1.3
469.20450	1.2
483.21796	1.3
484.22769	1.6
485.19647	7.9
486.20306	1.0
497.23422	2.4
499.21283	1.9
516.22253	1.2
541.26160	4.6
553.29364	2.3
555.27954	1.1
567.31390	22.1
568.31781	4.3
596.31775	7.4
597.32025	1.9
623.33093	1.3
625.31915	100.0
626.32245	14.3
628.30579	3.8
651.33490	8.4
652.33868	1.2
653.34656	1.6
697.33826	34.4
697.44348	9.1
698.34308	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	697.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19141	0.7
55.01861	1.7
55.05511	2.4
57.03428	3.2
59.04994	0.9
61.02925	6.9
67.05507	14.3
69.03426	4.4
69.07070	1.9
70.01012	1.2
70.01420	2.2
71.05014	1.0
73.02921	5.3
79.05508	2.8
81.03413	2.9
81.07050	6.0
83.08625	2.3
85.02900	6.3
91.03949	5.8
91.05484	3.0
93.07034	3.5
95.08611	2.7
97.02901	7.1
99.04439	1.6
101.02383	3.1
103.03914	0.9
105.07036	1.1
107.08613	3.5
109.02880	1.3
109.10148	11.0
111.08073	1.1
117.06994	1.1
119.08613	1.0
121.10142	1.6
127.03925	2.5
127.31559	0.7
129.05505	1.5
131.08557	1.9
133.10149	1.5
135.11662	1.6
137.09605	0.8
143.47520	0.7
145.04913	0.8
147.11639	0.8
149.05884	0.8
155.10698	1.0
159.11691	1.1
173.11789	2.7
181.04767	0.9
185.04297	3.5
195.09792	1.1
195.13846	0.8
199.05840	0.8
201.03598	0.7
221.11508	1.4
229.14333	1.2
235.13136	2.0
237.11072	0.9
243.08395	4.2
246.68813	0.7
247.16838	0.9
265.13916	0.8
301.08960	6.2
315.10559	3.1
363.21750	0.9
369.15387	2.0
371.16797	3.3
373.11145	1.8
385.18369	2.7
395.55307	0.7
413.17743	21.0
414.18509	1.6
425.21613	4.1
429.17459	1.8
443.19220	1.2
453.20914	7.1
463.26733	1.8
469.20624	1.4
474.98544	0.8
483.22079	0.9
484.22556	2.1
485.19592	7.9
497.23880	1.4
499.21561	2.3
516.21979	1.0
527.24713	1.1
541.26263	4.3
553.29718	2.0
555.26794	0.8
567.31445	24.8
568.32013	3.7
596.31543	7.1
597.32227	2.3
623.34009	2.0
625.31915	100.0
626.32251	13.9
628.30707	5.0
629.30914	0.9
651.33606	6.7
652.33508	1.2
653.35596	1.4
669.34381	1.2
697.34113	32.8
697.44220	6.4
698.33594	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	697.3763
Annotation	Hexamollamide
Peak:m/z	Relative Intensity
53.03945	0.7
55.01870	0.7
55.05514	1.5
57.03438	2.1
57.07073	0.3
61.02929	4.7
67.05503	6.0
69.03430	2.8
69.07076	1.3
71.01372	0.4
71.04998	3.0
73.02923	3.6
75.04535	0.3
76.54930	0.3
79.05500	2.6
81.03424	1.7
81.07055	7.1
81.07504	0.5
83.04987	0.7
83.08599	1.6
83.25741	0.3
84.51096	0.3
85.02905	5.2
85.06536	0.6
91.03966	2.9
91.05474	2.8
93.07046	4.0
95.04991	0.7
95.08594	1.7
97.02892	3.7
97.06532	1.2
99.04470	1.1
101.02377	2.0
103.03971	0.5
104.70271	0.3
105.07054	0.9
107.08585	2.2
109.02881	0.7
109.06538	0.4
109.10143	1.8
111.08124	0.6
115.03928	0.6
117.07058	0.9
119.08549	0.4
121.10172	1.4
122.27518	0.3
123.11733	0.6
127.03928	1.5
127.55587	0.3
131.08598	0.9
133.10109	2.3
135.11703	0.9
149.13268	2.0
151.11209	0.8
159.11700	1.3
173.11713	0.4
177.12794	0.5
183.13821	0.4
185.04280	1.0
195.10033	0.5
195.13870	0.8
203.05276	0.4
228.81981	0.3
235.13087	1.2
239.13731	0.3
243.08394	2.2
243.15947	0.3
257.17596	0.5
267.15582	1.4
269.17511	0.7
301.09119	0.9
315.10544	0.4
323.18301	0.5
369.15555	0.4
371.16864	0.6
373.10889	0.5
385.18143	0.5
413.17825	2.9
425.21933	0.8
444.19272	0.3
453.20914	9.9
454.21646	0.4
485.23987	5.6
486.23938	0.5
541.26337	0.4
567.31403	3.6
568.32330	0.8
596.31415	1.4
625.31934	16.0
626.32239	2.1
628.30273	0.7
651.33441	1.3
652.33643	0.4
697.37640	100.0
698.37958	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.4313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
55.05510	30.7
57.03440	9.6
57.07073	21.1
61.02923	31.2
62.30123	1.6
67.05505	38.1
68.05840	2.0
69.03435	4.5
69.07066	52.4
71.04993	4.4
71.08619	13.4
71.33841	2.6
73.02914	9.9
75.04479	3.0
79.05499	19.8
81.03426	2.8
81.07053	54.2
83.05019	2.1
83.08614	42.1
85.02906	31.2
85.06522	3.2
85.10188	7.8
91.03954	30.7
91.05483	5.2
93.07041	26.1
95.08604	52.4
97.02876	17.4
97.06545	10.9
97.10163	26.2
99.08082	2.6
105.07064	3.0
107.08594	25.2
109.10148	26.3
111.08102	7.7
111.11709	9.8
113.09640	2.3
119.08563	2.2
121.10137	40.8
122.10496	2.5
123.11720	11.0
125.09666	3.8
125.13231	3.4
127.03896	13.6
133.10165	2.5
135.11682	37.8
136.12048	2.3
137.13278	6.8
139.11176	2.8
145.04958	18.2
149.13251	21.0
151.14844	5.3
163.06006	26.2
163.14874	4.8
165.16408	3.6
177.05525	2.4
177.16426	3.4
189.16277	2.1
191.17856	2.2
247.24184	37.8
248.24461	3.4
265.25262	100.0
266.25629	7.8
283.26297	17.9
339.28922	95.2
340.29443	10.4
357.25626	3.5
357.30008	56.9
358.30374	6.9
366.81729	2.3
469.66220	2.2
599.27356	2.2
617.34271	2.2
698.37903	6.2
698.49170	4.1
699.37982	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	698.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.2
55.05260	2.5
55.05508	27.9
57.03439	8.8
57.07079	19.4
59.41468	1.4
60.29251	1.7
61.02628	2.8
61.02925	25.6
67.05167	2.8
67.05506	38.0
69.03432	2.8
69.06718	3.6
69.07069	52.9
69.19395	12.9
69.98562	1.4
71.04995	2.3
71.08633	11.2
73.02904	11.8
79.05489	20.7
81.07058	48.6
83.08620	45.6
85.02906	28.1
85.06559	4.3
85.10168	4.4
91.03954	23.5
91.05466	5.5
93.07050	27.3
95.08607	50.3
97.02895	17.3
97.06530	12.3
97.10177	25.2
99.04498	2.4
99.08067	2.1
105.07034	2.9
107.08608	17.3
109.10159	24.8
111.08080	6.9
111.11684	8.5
112.49928	1.8
115.03892	1.9
119.08556	2.9
121.10143	40.2
123.11747	8.1
125.09613	3.5
125.13259	2.9
127.03918	9.7
133.10135	3.9
133.18010	1.9
135.11694	30.9
137.05998	2.2
137.13231	4.1
139.11165	3.4
145.05006	10.0
145.10100	2.0
147.11688	2.7
149.13252	15.6
151.14801	4.2
153.12718	2.3
163.06027	17.0
163.14824	5.4
165.16418	4.3
177.16441	2.5
191.17966	2.3
225.44350	1.7
247.24210	31.9
248.24454	2.3
265.25269	80.3
266.25607	6.7
283.26297	16.8
339.28940	100.0
340.29227	7.7
357.29935	42.5
358.30243	2.1
501.34354	5.4
614.10089	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45226	0.2
55.89912	0.3
59.91553	0.2
67.05531	0.4
93.95287	0.3
185.04236	0.8
188.12880	0.2
203.05211	1.6
206.64081	0.2
259.07889	1.4
301.20090	0.3
325.88345	0.3
347.09503	0.9
365.10519	2.4
421.13141	1.1
466.52054	0.2
476.54922	0.3
537.30310	14.0
538.30566	2.0
627.32397	1.0
699.35535	100.0
700.35852	14.7
700.48358	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05638	0.2
52.20859	0.1
62.49842	0.2
67.05499	0.3
69.07056	0.2
69.48851	0.1
72.35458	0.2
79.05501	0.2
81.07046	0.3
93.07043	0.3
95.04949	0.2
95.08599	0.4
105.07034	0.2
107.08578	0.3
119.08560	0.2
121.10154	0.3
127.85151	0.2
132.73483	0.2
133.10205	0.2
147.11545	0.1
163.03918	0.6
181.04967	0.2
185.04268	0.6
187.14842	0.2
203.05290	0.3
259.07889	0.5
347.09283	1.1
375.25137	0.3
440.45038	0.2
453.33798	0.3
537.30298	17.9
538.30786	1.8
547.43549	0.2
699.35498	100.0
700.35815	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	699.3561
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.8
55.01875	0.7
55.05513	1.3
57.03442	1.2
61.02934	3.7
67.05507	4.2
69.03430	2.4
69.07076	1.1
69.69232	1.2
71.01361	0.4
71.04996	2.8
73.02921	2.9
75.04475	0.3
78.06670	0.3
79.05502	2.9
81.03426	3.2
81.07062	3.3
83.05002	1.1
83.08636	0.9
85.02908	5.0
85.06538	0.3
86.09703	0.4
87.04507	0.4
88.41388	0.2
91.03951	2.4
91.05491	3.1
93.07048	3.5
95.05001	1.3
95.08590	1.5
97.02900	3.5
97.06544	0.9
97.10179	0.3
99.04478	0.7
101.02381	1.5
103.03969	0.4
105.07036	1.7
107.04965	0.5
107.08607	1.7
109.02903	0.8
109.10162	2.6
111.08088	0.6
117.07020	0.5
119.04978	0.4
119.08578	2.0
121.06543	0.3
121.10124	2.0
127.03951	1.6
129.05569	0.4
131.04993	0.4
131.08629	1.1
133.10133	1.5
135.11719	2.0
137.06053	0.8
137.09619	1.8
143.08603	0.3
144.43892	0.3
145.02846	0.7
145.04948	0.4
145.10110	0.5
147.08090	0.4
147.11687	0.8
149.09708	0.6
149.13271	0.6
151.03951	1.3
151.07613	0.6
157.10167	0.8
163.03947	0.4
163.07585	0.6
165.09175	0.7
167.07135	0.4
173.11896	0.4
177.05524	1.2
185.04355	0.3
193.12318	1.1
203.05280	0.4
203.10651	0.4
211.10919	0.6
211.13319	0.3
235.13255	0.5
243.08495	2.3
243.16034	0.4
250.10789	0.5
251.12610	0.7
253.14258	0.9
299.09161	0.5
328.11343	0.3
375.96552	0.3
443.19205	0.8
453.20850	1.8
469.20505	5.6
470.20779	0.6
471.22086	5.0
474.33197	0.9
487.21436	0.8
537.30994	0.3
639.51990	0.3
655.32733	0.5
681.34302	0.9
699.35571	100.0
700.35944	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	699.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.6
53.74003	0.3
55.01865	0.7
55.05511	1.2
57.03437	2.0
58.02102	0.3
59.04999	0.6
61.02924	3.8
67.05505	3.0
67.06837	0.3
69.03436	1.9
69.07069	0.7
70.43343	0.9
71.01360	0.5
71.04981	1.4
73.02922	2.3
75.04509	0.2
79.05494	3.5
81.03415	3.3
81.07050	3.4
83.04987	0.9
83.08624	1.0
85.02905	3.7
85.06564	0.6
86.09712	0.4
91.03960	1.9
91.05474	3.2
93.07040	4.0
95.04935	1.5
95.08631	1.0
97.02896	2.7
97.06544	1.0
97.10178	0.8
99.04462	0.9
101.02381	1.7
103.03965	0.8
103.05472	0.5
105.07027	1.5
107.04945	0.6
107.08594	2.6
109.02885	0.6
109.06537	0.4
109.10217	0.8
111.04459	0.4
111.08112	0.6
117.07038	0.4
119.08579	1.3
121.06477	0.4
121.10157	1.4
123.08103	0.4
125.09621	0.3
127.03930	1.5
129.07019	0.6
131.04892	0.3
131.08594	0.8
133.10158	1.3
135.11673	2.7
137.06012	0.8
137.09637	0.4
139.11238	0.3
142.84329	0.3
145.05043	0.4
145.10117	0.5
147.11719	1.0
149.09653	1.2
151.03906	1.4
151.05011	0.3
151.07613	0.4
157.10159	0.9
161.05977	0.5
163.07510	0.5
163.11229	0.5
165.05417	0.4
165.09068	0.3
175.14856	0.3
181.12244	0.3
185.04285	0.5
193.12282	1.2
197.15419	0.3
203.05275	0.3
221.11499	0.5
243.08405	2.0
267.16006	1.0
283.15176	2.7
334.31613	0.3
339.17990	0.8
371.11212	0.4
439.19400	6.9
440.20358	0.4
449.30826	0.3
450.10971	0.3
453.21036	1.0
469.20587	0.9
471.21707	0.5
481.83408	0.3
501.23026	9.1
502.23828	0.8
537.30884	0.4
653.33380	0.3
681.23651	0.3
681.33557	1.3
699.35559	100.0
700.35925	15.4
700.48102	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3915
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30851	0.5
55.05504	1.9
57.03431	0.9
57.07070	2.6
67.05492	2.9
69.07068	1.3
69.33348	4.0
71.01339	0.8
71.08624	1.4
73.02924	1.0
79.05500	1.0
81.07052	4.1
83.08621	1.8
85.02914	2.2
85.10168	1.2
87.33363	0.5
91.05474	1.1
93.07039	1.5
95.08587	2.9
97.10172	2.2
98.22626	1.3
105.07047	1.2
107.08569	1.3
109.10159	1.5
113.02325	0.6
118.39116	0.5
119.08588	1.0
121.10147	1.0
123.11734	0.8
124.72869	0.5
125.09662	1.1
133.10168	0.7
141.01837	1.2
146.62581	0.5
165.91229	0.6
211.09390	3.1
251.12546	0.7
262.22272	0.6
299.78967	0.5
313.27502	1.0
393.13522	0.5
443.15262	2.2
483.29178	0.7
491.87476	0.6
511.28696	5.7
523.35834	3.1
663.44196	14.0
664.44678	2.4
699.39185	100.0
700.39532	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	699.4091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.8
55.01884	2.7
55.05515	9.8
57.07063	6.8
60.86782	2.4
65.03955	3.6
67.05500	15.2
69.03442	2.6
69.07070	11.2
69.24609	18.9
71.04999	8.6
75.15572	2.3
77.94881	2.6
79.05477	14.3
81.07052	27.3
83.01336	3.0
83.08616	6.5
85.06547	8.3
90.40431	2.6
91.05456	19.8
93.07050	21.8
95.04968	6.0
95.08604	17.4
97.06544	7.1
99.04426	13.8
105.07034	37.0
106.07333	2.5
106.99509	2.3
107.04945	3.7
107.08581	12.4
109.06527	5.8
109.10160	9.2
113.05996	8.3
117.07038	6.3
119.08582	27.8
121.06538	5.6
121.10144	15.7
123.08093	5.3
123.11726	5.2
125.09671	5.4
127.46612	2.3
127.97192	2.0
129.06992	13.9
131.08562	12.9
133.06490	3.3
133.10153	27.4
135.08047	3.7
135.11703	4.8
137.05994	6.8
137.09647	9.0
139.11223	5.8
141.05478	7.2
142.07800	12.3
143.08565	13.3
145.10138	15.5
146.90276	2.3
147.08052	5.8
147.11691	16.9
149.05980	3.3
149.09625	5.3
149.13257	3.7
151.07443	2.7
151.11177	3.3
153.05434	12.3
157.10120	27.1
159.11697	14.0
161.09648	19.0
161.13313	6.0
163.07529	3.0
165.09161	7.4
167.10620	2.5
169.10184	3.3
171.11716	5.6
173.13278	4.5
175.07587	5.3
175.11136	22.9
175.14845	5.4
177.09094	4.1
177.12708	3.8
187.14830	3.4
189.16356	9.4
191.07095	3.0
193.08598	23.8
199.14806	38.2
205.08609	9.4
209.15327	2.8
211.09663	55.5
217.15877	60.6
218.16391	3.4
223.09622	9.8
233.15437	7.6
235.13373	3.0
235.16823	6.1
237.14850	8.3
251.16481	8.9
339.19656	3.0
409.23761	5.3
427.24899	15.0
429.22586	17.2
445.26508	3.3
447.23837	7.2
481.29697	4.1
593.34296	4.7
611.34674	4.0
645.38184	11.5
663.38831	100.0
664.39545	13.5
681.39893	32.2
682.39636	6.0
699.44312	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	699.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02398	1.2
53.03942	2.0
53.20876	0.9
55.01863	2.5
55.05503	5.5
57.03437	1.8
57.07073	6.7
59.05003	1.9
59.84406	1.0
65.03948	1.4
67.05501	15.4
69.03413	1.5
69.07074	7.1
71.04997	3.8
79.05487	10.5
81.07048	14.5
83.04964	2.3
83.08627	2.6
85.06539	23.5
87.39481	1.0
91.05475	15.8
91.35701	1.3
93.07044	13.3
95.04972	4.4
95.08599	9.2
97.06538	3.2
97.10229	1.6
99.04452	3.2
105.07027	40.9
106.07363	1.7
107.08596	17.9
109.06524	4.2
109.10154	6.1
111.08082	2.6
113.05997	10.3
115.05447	1.8
117.07024	11.5
119.08573	26.1
120.08817	1.2
121.06490	2.1
121.10143	13.8
123.08070	3.0
123.11712	1.8
128.06224	2.1
129.07007	7.1
130.07796	2.0
131.08565	18.4
133.10100	14.5
135.08054	3.9
135.11678	4.6
137.05956	3.2
137.09590	2.1
139.11157	3.0
141.05455	3.1
141.06956	1.3
142.07765	10.5
143.08571	14.7
144.09293	3.5
145.10136	10.5
147.08069	2.6
147.11678	27.7
148.12256	1.1
149.09644	4.2
149.13240	2.1
151.11177	2.0
153.05455	17.6
156.09395	1.2
157.10133	24.3
157.68748	1.1
158.10545	2.1
159.11684	21.1
161.09607	6.4
161.13257	5.2
163.07549	1.5
163.11139	1.4
165.09125	6.1
169.10106	1.9
171.11713	4.9
173.09659	1.4
173.13239	6.6
175.07632	1.5
175.09654	1.9
175.11189	30.6
175.14815	4.2
176.11508	1.2
177.09171	1.8
177.12750	2.1
177.42549	1.3
185.13309	1.7
187.14851	3.5
189.08966	1.5
189.12743	1.8
189.16393	12.6
191.07072	1.4
191.14374	2.2
193.08604	16.3
194.09077	1.2
195.10185	1.3
197.13213	2.9
199.14819	36.1
200.15147	1.9
201.16304	1.2
203.14398	1.4
205.08583	6.2
207.10193	1.8
209.07979	1.5
209.15300	1.2
211.09634	29.7
212.10081	1.5
215.14250	1.4
217.15868	48.4
218.16260	3.2
222.71246	1.2
223.09639	10.9
227.14566	1.2
228.94130	1.5
233.15363	2.9
235.16931	2.6
237.14850	6.0
247.13266	2.1
265.14401	3.1
280.42215	1.3
297.18439	1.3
299.16641	2.0
326.20132	1.3
339.19507	2.2
357.20630	1.9
389.19589	1.5
409.23691	4.9
427.24786	9.0
428.53470	1.2
429.22678	9.2
445.26120	2.1
447.23746	2.8
481.29401	5.0
487.23102	1.2
495.23123	1.3
593.34174	2.2
645.37177	4.2
663.38892	100.0
664.39343	19.4
681.40088	25.2
682.39996	3.4
699.44147	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.4347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25649	0.4
55.05449	1.1
55.05676	0.4
56.96495	14.2
56.96808	1.8
58.78558	0.4
61.69838	0.4
67.05473	0.6
69.85806	1.9
69.86147	0.4
71.95186	1.8
72.95983	1.1
74.47598	0.4
74.97552	0.7
80.78667	0.5
83.08578	0.8
84.95952	0.6
90.00698	0.4
93.06986	0.5
94.25861	0.5
98.97488	0.5
101.12327	0.4
105.00080	0.5
110.97523	1.2
123.01118	0.7
128.98543	1.1
137.02664	0.6
137.05907	1.1
141.02197	0.5
146.99585	0.6
155.03708	1.4
159.03221	0.5
161.09616	0.5
167.06912	0.8
169.05234	0.7
171.03215	1.1
173.04814	1.1
181.05173	0.6
183.03241	0.4
185.04802	1.5
187.02800	0.6
189.07933	1.1
195.06798	1.1
197.04727	0.7
197.08496	0.5
199.06398	3.7
201.07909	0.5
203.05862	1.5
205.09036	0.5
207.06876	1.0
211.06334	1.5
211.10025	0.5
213.07956	9.0
217.07384	3.2
221.08542	0.5
223.10057	1.3
225.08017	4.0
227.09431	0.7
229.07457	6.8
231.06828	0.8
231.09016	12.7
236.09308	0.6
237.07941	1.7
239.09512	3.7
241.11090	8.9
243.09023	3.9
247.08511	4.7
251.09499	6.1
253.11079	1.3
255.09021	3.9
257.10605	3.6
259.12180	11.2
269.10587	44.4
270.10837	2.3
271.12051	0.6
273.09955	2.7
287.11639	18.9
288.12085	0.8
292.12067	1.6
309.17456	0.6
315.16367	1.7
323.18921	0.6
333.17307	17.7
334.17712	0.6
339.18216	0.6
351.18384	35.8
352.18707	2.4
369.19452	100.0
370.19693	5.8
374.19934	1.3
387.20508	73.1
388.20959	5.6
392.21146	0.7
410.22086	8.2
411.22235	0.8
415.23175	0.5
524.61108	0.5
564.20618	0.5
627.54498	0.5
681.42920	0.9
689.49152	0.6
699.43671	20.6
700.43604	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	699.4438
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16246	0.4
51.46483	0.4
52.92797	0.4
55.05519	1.0
57.07081	0.5
67.05513	1.5
69.07080	0.9
71.04990	0.7
79.05496	1.1
81.07053	3.2
82.87029	0.4
83.08607	0.5
87.87705	0.4
91.05494	0.7
93.07057	1.3
93.14613	0.4
95.04951	0.6
95.08625	1.5
105.07060	1.2
107.08598	1.0
109.10151	0.5
117.07082	0.5
119.08624	0.7
121.10165	1.2
123.11675	0.7
125.90655	0.4
131.08566	0.8
133.10143	0.6
149.05925	0.5
157.10242	0.6
169.04710	4.7
193.08696	0.4
211.09566	0.8
259.16681	2.1
263.12573	0.6
277.17798	1.5
326.59930	0.4
388.08011	0.5
463.26682	2.9
525.74066	0.5
533.31116	1.0
551.37225	1.1
629.40137	2.9
645.37671	0.6
663.38165	0.6
699.44379	100.0
700.44720	17.9
700.57147	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	4.4
55.50375	0.8
55.91025	0.8
59.13226	0.9
64.81849	0.8
67.05498	4.9
69.07055	5.5
69.38450	1.2
71.05006	1.6
71.60143	0.8
79.05483	4.9
81.07045	9.4
82.41574	0.8
83.08618	2.4
86.65899	0.9
89.03908	4.8
91.05450	4.5
93.07039	11.8
95.04971	1.2
95.08600	14.4
97.06528	1.4
97.10172	1.6
98.23414	2.2
105.07023	10.6
107.04926	1.9
107.08591	18.7
109.06507	2.0
109.10138	7.2
111.08059	2.0
117.03390	5.9
119.08567	15.1
121.06483	2.2
121.10135	11.7
122.10513	1.0
123.08060	2.4
123.11710	2.5
125.09572	1.5
131.08591	3.3
133.10129	17.0
135.04405	12.9
135.08040	1.8
135.11699	20.7
137.09572	1.7
139.07526	3.5
139.11317	1.2
143.08618	1.0
145.02840	12.0
145.10107	4.3
147.11673	14.4
149.13306	1.4
151.07555	2.4
157.10139	1.6
159.11713	2.0
161.09547	2.2
161.13293	3.3
163.03889	100.0
163.11293	1.0
163.14874	2.8
164.04263	3.5
173.13235	2.2
173.99077	1.0
175.11186	2.6
175.14833	5.3
177.16425	6.1
179.10742	2.1
181.04936	23.5
182.05428	1.1
187.14801	7.5
189.12662	1.0
189.16364	27.6
190.16792	2.3
191.14084	1.2
191.17908	2.2
199.14879	2.1
205.15855	20.8
217.15884	20.9
218.16219	1.8
223.16896	2.4
233.15352	3.3
233.56816	0.9
235.16914	57.7
236.17239	2.6
251.16440	10.8
269.17444	5.5
310.18671	1.1
322.21469	1.1
397.19843	3.5
453.33743	1.1
467.31534	1.0
503.33496	3.2
700.37463	2.2
701.37384	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	700.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26233	0.3
53.03944	0.6
53.11665	0.3
55.05518	1.9
57.07080	0.7
65.03941	0.5
67.05511	2.3
69.07074	4.2
70.13899	0.8
71.04957	0.4
73.06557	0.4
76.37038	0.3
77.03907	0.4
79.05490	3.0
79.50934	0.3
80.27153	0.3
81.07057	7.3
83.04989	0.5
83.08618	1.7
85.06532	0.4
89.03915	3.6
91.05446	2.6
93.07043	7.7
95.04957	0.8
95.08608	11.6
97.06553	1.8
97.10162	0.9
105.07029	8.5
107.04955	1.4
107.08595	13.2
108.08881	0.4
109.06532	1.9
109.10161	4.9
111.08067	1.2
111.11707	0.4
113.05997	0.5
117.03378	4.9
117.07019	0.6
119.08586	11.1
120.08862	0.4
121.06519	2.2
121.10146	8.6
122.10479	0.6
123.08080	1.4
123.11693	1.2
125.05998	0.9
125.09626	0.4
131.08566	2.2
133.06487	0.4
133.10127	9.4
135.04416	12.0
135.08051	0.7
135.11690	12.8
136.04669	0.7
136.11966	0.5
137.09534	0.5
139.03899	0.5
139.07541	2.3
145.02840	11.5
145.10132	3.2
146.10851	0.7
147.08057	0.6
147.11684	12.4
148.11990	0.6
149.09657	0.4
149.13226	1.5
151.07497	1.1
153.09137	0.4
157.10132	0.8
159.11684	2.1
161.09612	2.2
161.13202	1.8
163.03900	100.0
163.14790	2.2
164.04239	3.5
165.09030	0.6
165.12744	0.4
171.11681	0.6
173.13216	1.8
175.11205	1.6
175.14848	2.7
177.12766	0.5
177.16382	6.1
179.10686	1.3
181.04955	54.1
182.05270	1.8
186.05528	0.4
187.14815	7.5
188.15132	0.6
189.16385	20.1
190.16727	0.8
191.14302	1.0
191.17944	0.9
193.12305	0.5
199.14769	1.0
205.15877	18.8
206.16225	1.3
211.26668	0.3
215.14259	0.4
215.18011	0.4
217.15875	20.6
218.16223	1.1
223.16949	2.3
233.15372	1.3
235.16917	28.9
236.15274	0.3
236.17210	1.9
239.10011	0.3
243.17529	0.8
251.16446	6.3
252.16663	0.4
269.17502	4.4
397.20163	4.2
398.20502	0.6
439.32169	0.9
457.33170	0.6
467.31863	0.5
482.07162	0.3
503.33521	1.3
700.35242	0.5
701.31586	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.4264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91027	2.2
55.05508	7.9
57.03428	2.8
57.07097	3.3
59.91858	2.1
65.19128	2.2
65.21024	2.1
65.88610	1.9
67.05501	8.2
69.03432	4.0
69.07069	9.0
69.56448	4.8
69.56863	7.1
70.06586	2.6
79.05467	12.1
81.03423	2.9
81.07056	34.1
83.04971	10.8
83.08614	5.2
85.02910	8.8
85.09172	2.1
91.05480	19.3
93.07051	31.4
95.05015	4.0
95.08606	40.7
97.02901	2.9
97.10139	2.6
105.07034	54.1
107.08591	40.1
107.45747	2.1
109.02876	3.1
109.10139	15.2
111.08098	2.8
117.07021	11.7
119.08586	59.1
120.68669	2.3
121.06464	5.1
121.10154	29.6
123.08080	6.1
123.11697	10.2
125.09639	8.0
128.06190	3.5
129.07007	6.1
130.07762	2.9
131.08560	39.0
133.10135	42.5
135.08069	5.7
135.11691	10.5
137.05931	3.1
137.09598	4.0
142.07819	6.6
143.08542	24.8
145.04929	3.1
145.10127	68.8
147.08080	3.3
147.11671	33.4
147.12744	3.5
149.09616	5.2
149.13272	9.9
155.08614	5.0
156.09325	5.2
157.10121	37.3
157.95441	2.1
158.10913	3.8
159.11713	52.1
161.09647	7.1
161.13240	26.3
163.07526	3.3
163.11137	4.2
163.14845	12.7
167.07076	2.6
169.10124	5.9
170.10915	9.2
171.11687	29.5
173.13266	56.0
175.11203	6.6
175.14825	31.1
177.12802	6.6
177.16383	16.1
179.14310	3.2
183.11644	18.7
184.12389	2.6
185.13252	51.3
187.14825	63.2
189.12724	5.4
189.16455	18.1
191.14311	21.4
193.15950	3.3
197.11621	2.3
197.13217	12.7
198.41039	2.2
199.14824	57.3
201.12749	4.7
201.16418	27.9
203.14319	31.5
203.17940	5.2
205.15884	48.2
205.17702	4.7
206.16304	4.8
207.17535	3.1
209.13449	3.2
209.15398	9.0
211.14833	5.2
213.16406	9.4
215.14394	4.7
215.18002	4.6
217.12384	2.3
217.15865	20.5
219.13811	6.1
219.17444	10.1
221.15388	8.1
223.14777	3.9
223.16858	2.6
225.16513	3.7
227.14418	2.9
227.17940	6.2
229.15916	6.0
229.19756	2.4
231.17433	6.6
233.15462	3.4
233.18980	3.0
235.16995	5.4
245.15352	11.3
251.18037	2.6
271.69785	2.5
284.21371	2.6
345.25613	2.7
363.26996	2.9
385.28720	3.1
391.30139	11.0
393.31644	4.7
403.30072	20.3
405.31476	8.8
419.29379	4.9
421.31073	34.2
422.31354	4.8
431.29108	5.4
437.30533	10.9
439.32202	10.3
441.33649	4.4
449.30521	43.8
450.30664	3.4
455.31293	3.2
457.33118	100.0
458.33542	12.6
467.31540	41.2
468.31900	6.1
485.32523	25.4
503.33862	6.9
657.39813	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	700.4469
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	9.0
57.03438	4.6
57.06812	3.3
57.07074	43.8
59.56341	1.5
61.02929	14.6
67.05500	16.9
69.03441	2.7
69.07063	18.4
69.28110	6.6
69.28534	6.5
71.08632	38.6
73.02905	5.3
75.04472	2.5
79.05484	5.1
81.07053	25.9
83.08611	15.2
83.91865	1.6
85.02889	17.6
85.06488	2.8
85.10175	21.0
86.09713	2.5
88.56451	1.5
91.03953	16.3
91.05466	3.9
93.05640	1.6
93.07042	4.8
95.08601	30.7
95.34573	1.7
97.02876	8.4
97.10143	11.2
99.08093	1.6
99.11720	1.8
105.07040	2.0
107.08615	3.8
109.10161	12.9
111.11714	6.3
115.03970	2.0
119.08533	1.8
121.10167	2.1
123.11665	7.9
125.09637	2.3
127.03899	5.9
133.10110	3.2
137.13222	3.4
145.04962	7.3
149.13217	1.7
163.05965	12.3
184.07375	4.4
267.26825	25.3
285.27896	4.1
334.35925	1.7
341.30478	100.0
342.30820	8.8
359.31516	24.5
368.67773	1.8
394.35980	1.7
457.13879	1.6
700.43195	3.5
701.44702	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.5345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	11.9
55.05510	17.9
60.84175	10.3
66.03502	10.9
67.05501	90.9
69.07069	29.6
69.59249	10.9
79.05484	39.1
81.07050	100.0
81.62629	9.8
83.08627	13.9
85.06538	15.0
91.05478	32.7
93.07042	63.5
95.08627	93.9
97.06532	12.1
105.07062	21.3
107.08604	29.9
107.36039	9.7
109.10167	48.0
119.08572	20.9
121.10124	28.2
123.11721	20.5
131.08562	18.5
133.10129	20.7
135.11700	23.8
137.13127	13.9
145.10219	18.8
147.11757	11.2
157.36574	13.5
164.71890	10.7
165.15588	12.3
183.16154	12.0
260.64258	11.1
261.22247	22.3
279.23199	76.2
411.68591	10.5
539.44513	12.9
663.27673	12.9
700.43994	19.3
701.45532	40.5
726.41858	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	701.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05468	0.3
63.74136	0.3
67.05512	0.9
69.63266	1.1
69.63660	0.5
70.06590	0.6
74.55429	0.3
78.23998	0.3
79.05511	0.7
80.97964	0.3
81.07063	0.8
86.21311	0.3
91.05502	0.5
92.44775	0.3
93.07063	0.7
95.08636	0.4
102.09172	0.3
105.07069	0.6
107.08585	0.8
109.10181	0.6
119.08555	0.5
121.10157	0.5
130.04189	0.3
133.10129	0.4
137.06020	0.6
145.10086	0.3
149.02386	1.1
151.03902	0.4
151.07571	0.3
177.09254	0.3
185.04353	0.4
193.05046	0.7
256.26416	1.0
259.07953	0.5
347.09677	0.9
450.97552	0.4
539.31897	16.5
540.32324	1.5
550.45569	0.3
701.37158	100.0
702.37610	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	701.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59803	0.2
55.05508	0.5
67.05511	0.7
69.51778	1.3
70.06632	0.2
73.95869	0.2
79.05485	0.5
81.07075	0.6
91.05456	0.4
93.07059	0.5
93.35541	0.2
95.08626	0.6
97.10183	0.2
105.07038	0.3
107.08597	0.4
109.10143	0.2
110.90253	0.2
119.08609	0.5
120.23882	0.2
121.10183	0.4
125.06043	0.2
137.06044	0.3
145.10049	0.2
149.02348	0.4
151.03947	0.4
185.04271	0.9
193.05086	0.4
203.05260	2.0
256.26389	0.6
259.07849	1.7
305.08478	0.3
325.10684	0.6
347.09448	1.0
365.10577	3.5
421.13113	1.0
459.14847	0.2
539.25189	0.3
539.31891	17.5
540.32227	2.5
701.37128	100.0
702.37512	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	701.4596
Annotation	Desacetylnyalolide
Peak:m/z	Relative Intensity
55.05496	0.5
61.35534	0.4
67.05510	2.1
69.07079	1.3
69.36262	3.1
72.02045	0.4
77.51685	0.4
79.05499	1.3
79.44569	0.5
81.07075	1.9
83.08625	0.6
91.05432	1.1
93.07050	1.9
95.05004	0.6
95.08618	2.1
97.10217	0.4
99.04447	0.4
105.07026	0.5
105.52673	0.4
107.08607	0.6
109.10170	1.0
112.86919	0.4
114.57729	0.4
119.08630	0.7
119.30053	0.4
121.10160	0.9
123.08141	0.6
123.11773	0.4
133.10115	0.7
135.11705	0.8
149.09627	0.6
161.08199	0.5
184.07443	1.7
193.08662	0.5
261.18317	0.8
279.19611	0.6
291.06198	0.5
377.64151	0.6
463.26688	5.0
464.27127	1.0
465.17456	0.5
701.45959	100.0
702.46368	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	702.4421
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10467	1.1
51.02390	1.3
53.03946	3.1
55.01869	6.7
55.05512	68.9
56.05823	1.4
57.03185	1.5
57.03443	17.0
57.07070	3.1
57.15437	1.2
58.81832	1.1
59.05004	2.7
61.02912	5.3
65.03940	4.5
65.10207	1.1
67.05507	71.7
69.03430	8.8
69.07068	23.8
71.04985	4.1
71.08632	1.7
79.05494	54.2
81.03438	2.6
81.07056	72.9
82.07401	2.9
83.04995	6.2
83.08125	2.5
83.08620	40.6
85.02906	4.9
85.06538	3.0
87.04478	1.7
91.05485	22.7
91.90305	1.2
93.07045	48.0
95.04978	5.6
95.08606	42.5
97.02872	1.9
97.06519	3.8
97.10172	80.2
98.10523	2.5
101.05939	1.6
101.09656	1.3
103.05488	2.2
105.04535	1.4
105.07033	16.5
107.04946	3.9
107.08596	47.3
108.08923	1.3
109.06523	2.0
109.10162	21.1
111.04400	1.2
111.08086	4.5
117.07030	7.5
118.45531	1.3
119.08575	14.1
121.06551	1.4
121.10151	22.0
123.08110	2.1
123.11724	4.8
125.09630	77.1
126.09956	2.3
129.06905	1.4
131.08559	12.9
133.06467	1.3
133.10124	12.5
135.08072	7.2
135.11685	12.3
135.75279	1.3
137.05977	6.9
137.09596	3.5
137.13229	2.8
139.11195	1.4
143.08516	1.1
143.10669	3.9
145.10150	8.3
147.11682	6.6
149.02615	1.2
149.05977	2.4
149.13248	6.5
150.83766	1.2
151.03960	1.8
151.07597	3.0
153.09099	3.8
157.10037	1.8
159.08017	1.6
159.11694	5.2
161.13274	4.2
163.03877	1.4
163.07521	3.8
163.14828	4.4
165.09122	1.7
167.41743	1.4
171.10182	5.9
173.09734	1.5
173.13261	5.0
175.14842	1.3
177.16431	1.5
179.14386	1.3
184.07372	2.7
187.14824	3.0
189.11220	54.5
190.11533	1.6
203.10667	1.7
207.13858	1.6
219.10004	1.2
227.12787	77.2
228.13083	3.4
243.21065	8.0
245.13838	100.0
246.14214	3.5
261.22159	28.5
262.22665	1.8
279.23138	4.0
281.11719	2.3
313.14386	1.5
317.24747	4.5
327.08694	1.6
327.12216	7.6
328.08920	2.1
335.25809	87.5
336.26102	8.4
341.13876	1.6
413.30597	2.2
423.30814	1.3
431.31503	2.1
487.34042	7.3
505.35178	62.7
506.35553	6.8
523.36279	3.0
703.36023	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	702.4422
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55741	1.2
53.03940	3.1
55.01875	3.6
55.05510	52.1
57.03432	11.3
57.07070	3.3
58.07997	1.2
59.04991	2.5
60.08158	1.7
61.02924	2.2
65.03931	2.2
67.05505	53.3
67.05871	2.5
69.03423	6.6
69.07066	16.7
71.05001	2.0
74.73285	1.2
79.05492	39.0
80.05820	0.9
80.35796	1.0
81.03422	3.3
81.07056	50.8
83.04975	4.9
83.08619	32.9
84.08983	1.3
85.02902	3.4
85.06547	3.6
86.09703	6.3
91.03933	1.3
91.05482	15.7
93.07048	35.7
93.70171	1.0
95.04964	2.5
95.08606	30.8
97.02914	2.0
97.06544	1.8
97.10168	69.2
98.10508	1.3
99.08044	1.2
105.07027	12.1
107.08599	32.2
109.10146	17.0
111.08109	3.7
117.07034	6.4
117.07775	1.2
119.08562	8.7
121.10159	15.2
123.11704	4.1
124.99989	3.5
125.09631	59.7
126.10004	1.8
129.07004	1.5
131.08585	6.8
133.06474	1.5
133.10141	8.1
135.08057	5.0
135.11696	9.4
137.13245	1.6
143.10683	2.7
145.10159	5.0
147.11679	4.4
149.13235	5.8
151.07571	1.2
151.11206	1.5
153.09099	4.5
159.11725	3.3
161.13269	3.6
163.11226	1.4
163.14818	3.9
171.10193	4.9
173.13284	4.9
175.14824	1.4
177.16432	1.8
184.07362	19.3
187.14890	2.2
187.26945	1.3
189.09470	2.3
189.11205	49.2
190.11588	2.4
193.08621	1.9
227.12778	69.9
228.13191	3.6
243.21054	5.8
245.13844	100.0
246.14218	4.2
261.22131	21.9
262.22543	2.6
262.41946	1.0
279.23199	2.5
317.24728	1.9
335.25800	62.3
336.26242	4.5
379.25125	1.1
413.30548	2.2
431.31564	2.7
473.19577	1.8
487.34293	6.5
505.35223	33.2
506.35712	3.5
523.36371	2.6
529.38892	4.1
703.36310	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	702.553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.8
54.88161	2.6
55.01885	4.2
55.05513	26.1
55.36437	2.2
56.42205	2.0
57.03440	5.7
57.07081	6.6
65.03936	4.4
67.05503	87.8
69.06361	19.9
69.07061	32.4
71.05004	6.2
71.08625	4.2
79.05492	41.8
79.35785	2.1
81.07055	100.0
83.04986	6.3
83.08611	20.0
85.06544	9.1
86.09727	4.7
87.04487	6.6
89.06033	73.0
91.05479	23.9
93.07045	46.4
94.07395	2.7
95.04981	6.5
95.08603	80.8
96.08905	3.4
97.06544	7.0
97.10176	13.5
99.08077	4.2
99.10413	2.3
105.07036	16.9
107.08585	25.3
109.06528	3.5
109.10153	43.5
110.10474	3.0
111.08098	4.0
116.03783	2.3
117.06998	4.3
119.08589	15.0
121.10143	29.5
123.08081	5.8
123.11715	16.3
125.09642	4.2
131.08575	12.8
133.08607	35.9
133.10130	14.5
134.10506	2.4
135.11699	21.2
137.09587	4.9
137.13292	6.9
139.11172	4.8
143.08521	2.9
145.10156	13.6
147.11696	10.8
149.09677	3.1
149.13245	11.1
151.11238	5.2
153.09048	2.7
159.11732	7.7
161.13283	13.4
163.14856	3.6
173.13274	6.2
175.14911	3.6
177.11279	20.8
177.12682	4.3
179.14255	3.9
184.07358	16.3
187.14874	7.1
189.11343	3.2
201.14706	2.9
201.16493	3.2
243.21150	8.3
259.72781	2.2
261.22137	26.1
279.23181	66.2
280.23480	3.4
297.24295	16.3
298.24142	2.5
353.26941	7.0
371.28223	3.6
417.33594	2.6
503.30841	4.3
521.43359	3.3
530.33563	2.4
539.44513	5.6
557.45642	3.4
558.45624	2.4
575.46759	3.8
631.48346	4.0
649.50061	3.4
667.51013	3.0
702.45752	6.4
703.44781	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	702.553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.8
54.88161	2.6
55.01885	4.2
55.05513	26.1
55.36437	2.2
56.42205	2.0
57.03440	5.7
57.07081	6.6
65.03936	4.4
67.05503	87.8
69.06361	19.9
69.07061	32.4
71.05004	6.2
71.08625	4.2
79.05492	41.8
79.35785	2.1
81.07055	100.0
83.04986	6.3
83.08611	20.0
85.06544	9.1
86.09727	4.7
87.04487	6.6
89.06033	73.0
91.05479	23.9
93.07045	46.4
94.07395	2.7
95.04981	6.5
95.08603	80.8
96.08905	3.4
97.06544	7.0
97.10176	13.5
99.08077	4.2
99.10413	2.3
105.07036	16.9
107.08585	25.3
109.06528	3.5
109.10153	43.5
110.10474	3.0
111.08098	4.0
116.03783	2.3
117.06998	4.3
119.08589	15.0
121.10143	29.5
123.08081	5.8
123.11715	16.3
125.09642	4.2
131.08575	12.8
133.08607	35.9
133.10130	14.5
134.10506	2.4
135.11699	21.2
137.09587	4.9
137.13292	6.9
139.11172	4.8
143.08521	2.9
145.10156	13.6
147.11696	10.8
149.09677	3.1
149.13245	11.1
151.11238	5.2
153.09048	2.7
159.11732	7.7
161.13283	13.4
163.14856	3.6
173.13274	6.2
175.14911	3.6
177.11279	20.8
177.12682	4.3
179.14255	3.9
184.07358	16.3
187.14874	7.1
189.11343	3.2
201.14706	2.9
201.16493	3.2
243.21150	8.3
259.72781	2.2
261.22137	26.1
279.23181	66.2
280.23480	3.4
297.24295	16.3
298.24142	2.5
353.26941	7.0
371.28223	3.6
417.33594	2.6
503.30841	4.3
521.43359	3.3
530.33563	2.4
539.44513	5.6
557.45642	3.4
558.45624	2.4
575.46759	3.8
631.48346	4.0
649.50061	3.4
667.51013	3.0
702.45752	6.4
703.44781	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	5.1
62.88430	2.0
62.98803	2.1
67.05500	16.3
69.07069	4.9
69.16967	17.6
79.05495	7.2
81.07050	14.3
83.08607	2.7
85.06565	2.6
89.16795	2.3
91.05484	7.3
93.07034	10.4
95.04966	3.5
95.08585	12.4
97.06518	2.6
97.10165	3.3
98.22540	4.3
99.08079	3.3
105.07050	6.0
107.08609	6.9
109.10175	6.1
117.07038	3.2
119.08610	6.1
121.10143	6.1
123.11701	3.2
125.75242	2.1
129.07065	2.5
131.08620	6.5
133.10106	4.8
135.08080	4.6
135.11710	3.4
137.06004	9.0
137.13263	2.3
145.02811	2.3
145.06522	3.3
145.10089	3.8
147.11746	2.5
149.02362	4.6
149.09596	3.1
151.07596	2.8
177.09038	2.2
188.08502	2.5
193.88783	2.3
198.17448	2.0
203.10747	6.5
221.11778	8.3
226.14656	2.3
452.77917	2.5
539.17236	2.3
541.32758	2.7
631.50928	4.3
649.52191	4.4
703.36511	100.0
704.36792	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	703.3866
Annotation	Unknow
Peak:m/z	Relative Intensity
67.60670	0.2
69.64162	0.3
90.81754	0.3
143.87207	0.3
185.04173	0.5
203.05232	1.6
206.87694	0.3
259.07886	1.7
347.09741	0.8
365.10556	3.6
421.13019	0.6
541.33466	16.9
542.33948	1.9
703.38666	100.0
704.38977	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96918	0.2
55.05522	0.3
66.26070	0.2
67.05503	0.4
69.58787	0.4
69.59196	1.2
79.05511	0.3
81.07061	0.5
83.77683	0.2
93.07069	0.3
95.08615	0.5
98.14204	0.2
133.10118	0.3
168.03516	0.2
185.04240	0.7
259.08054	0.4
272.95105	0.3
279.23056	0.3
347.09549	0.8
384.97949	0.2
541.33429	14.4
542.33978	1.9
703.38666	100.0
704.38995	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	704.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97744	0.4
53.03953	1.5
55.01868	1.5
55.05513	2.3
57.03434	2.9
59.04990	0.9
61.02916	1.0
64.37885	0.5
65.03943	1.1
66.04723	0.6
67.05509	4.0
69.03432	2.6
69.07063	1.8
69.87737	0.8
69.88108	1.3
71.05009	1.0
74.46517	0.5
79.05495	5.2
81.03417	7.0
81.07056	4.5
83.01334	0.8
83.04980	2.0
83.08641	2.4
85.02903	5.2
86.09709	1.4
91.04945	0.8
91.05486	9.0
91.06059	0.8
93.03414	0.9
93.07030	3.8
94.04186	3.7
95.04960	4.1
95.08608	2.8
97.02909	2.8
97.06537	1.2
97.10188	1.3
98.22598	0.5
99.04446	0.9
103.05483	3.6
105.07034	8.2
107.04950	9.9
107.08596	2.8
109.02882	1.5
109.06512	1.8
109.10157	1.8
111.04424	1.0
111.08088	1.0
115.05432	2.7
116.06281	0.7
117.07032	6.2
119.04932	2.1
119.08589	3.0
121.06500	4.2
121.10161	2.4
122.03645	7.3
123.04431	1.6
123.08092	1.2
125.05991	1.2
125.09607	1.0
127.03932	1.4
128.06224	2.1
129.06996	3.8
130.07784	0.8
131.04922	6.4
131.08560	6.2
133.06487	7.7
133.10132	1.8
135.04453	1.1
135.08067	3.8
135.11665	0.6
137.05974	100.0
138.06325	2.0
139.03905	1.2
143.08551	3.9
144.05725	1.4
145.05002	1.5
145.06480	9.4
145.10130	12.1
146.07242	1.2
147.04427	1.8
147.08040	2.6
147.11687	0.9
148.05188	1.2
148.08824	3.4
149.05971	2.0
149.09622	2.0
151.03925	2.8
151.07556	4.6
151.10158	0.6
152.04190	0.5
153.01814	2.1
153.05478	1.8
155.05998	0.7
155.08604	0.9
157.06491	1.7
157.10147	1.1
158.07275	3.5
159.08051	10.9
159.11697	0.8
160.08725	0.6
161.05969	5.0
161.09628	4.2
162.06592	1.0
162.07765	0.9
163.03912	1.6
163.07547	14.8
163.11174	2.2
164.08286	1.8
165.05550	0.6
165.09114	2.2
167.07152	0.5
171.08067	3.3
172.08844	0.6
173.06012	1.7
173.09622	17.6
174.06725	0.6
174.09981	1.0
175.07541	4.4
175.11177	4.4
176.08282	2.6
177.05505	1.3
177.09137	3.6
179.07060	2.1
180.08688	1.6
181.04967	1.2
181.08583	1.2
184.07256	0.5
185.09499	0.5
187.07561	1.6
187.11200	1.1
188.08342	1.5
189.05444	0.9
189.09090	13.1
189.10843	0.7
190.09846	1.9
191.10669	8.6
193.08626	1.0
193.10336	0.5
193.12300	1.1
194.07275	0.7
197.09656	0.6
199.07484	0.7
201.09123	1.4
203.06981	1.9
203.08742	1.1
203.10670	27.9
204.11365	5.2
205.08571	2.0
205.12238	70.4
206.12573	3.4
209.09680	0.6
211.07516	0.6
211.11307	0.7
213.09081	0.8
214.09840	1.1
215.10588	0.6
217.12224	1.6
219.08199	0.6
219.10179	1.5
219.13647	0.5
221.11713	4.2
223.07452	0.5
224.08240	0.6
225.09065	1.1
227.06967	0.6
227.12788	0.9
229.12251	7.7
231.13843	0.8
233.09676	0.5
235.11169	0.6
237.09109	1.0
239.07141	0.7
241.08615	0.8
243.13811	6.4
248.08246	0.6
249.09007	0.9
250.09843	0.7
251.10767	1.0
253.08713	0.8
255.10068	0.6
256.07266	0.7
259.09695	1.7
259.13297	4.2
261.14954	0.7
263.10657	0.9
265.08557	1.4
265.12091	0.9
267.10107	2.1
267.15851	3.6
268.07599	0.8
269.07996	0.6
270.08740	0.7
271.09763	0.8
279.10059	2.5
280.10803	0.5
281.11761	1.0
283.09665	1.3
283.15482	3.1
285.11215	3.0
293.11734	1.6
294.12405	3.3
295.13208	1.0
297.11172	2.2
299.12698	4.5
300.13492	0.6
307.13272	0.9
309.11227	1.7
309.14642	0.7
310.11926	3.1
311.12631	1.4
313.14349	1.2
315.12292	1.5
317.10129	1.1
325.14337	11.8
326.15079	5.6
327.12656	3.1
327.15540	3.2
333.14841	0.8
339.15906	1.5
341.13644	2.7
345.16922	0.6
351.15781	1.2
353.17496	1.9
365.17383	5.0
365.21228	0.9
366.18243	3.3
367.18677	0.8
380.65726	0.5
383.18323	11.9
383.22302	1.5
384.18817	0.8
401.23532	1.1
429.20694	0.6
447.21640	1.3
457.20816	3.1
457.25568	3.4
458.20499	0.7
458.26532	0.7
471.17410	0.7
475.20712	0.9
475.26895	11.3
476.27390	1.2
481.27029	0.5
489.22659	18.0
490.22870	2.1
493.28046	0.9
507.23825	2.4
601.25702	0.9
704.34894	1.0
705.35962	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.7
55.05511	2.0
57.03436	1.0
59.05006	1.9
65.03940	3.4
65.26915	0.8
67.05505	6.5
69.07060	4.2
69.51104	5.0
79.05495	5.3
81.03428	1.8
81.07080	6.4
83.04978	1.2
83.08627	2.1
83.12921	0.8
85.06536	0.9
91.05482	18.6
93.03394	2.7
93.07051	5.3
94.04203	2.8
95.04974	3.6
95.08586	5.1
97.06546	1.1
97.10196	1.1
97.18597	0.9
98.23427	1.2
103.05476	2.3
105.07028	9.9
106.07399	1.1
107.04974	3.4
107.08598	3.4
109.06535	1.2
109.10169	3.6
111.04438	4.4
115.05453	2.1
117.07014	6.6
119.04955	7.9
119.08602	2.7
120.05309	1.4
121.06525	1.3
121.10173	3.1
122.03638	5.9
123.04505	1.1
123.08053	1.0
123.11678	1.4
125.05968	4.6
128.06224	6.3
129.06989	1.5
130.07703	1.1
131.04935	2.2
131.08592	3.3
133.06499	6.7
133.10144	3.2
135.08066	1.5
135.11702	1.4
136.05164	1.2
137.05978	100.0
138.06329	3.2
138.25200	0.9
139.11224	0.8
141.05501	1.5
141.07045	1.3
143.08565	20.1
144.05765	0.8
145.06474	18.5
145.10156	5.3
147.08076	1.6
147.11719	1.5
149.05980	2.3
151.02667	1.3
151.03909	32.8
151.04971	2.3
151.07542	45.1
152.04269	1.0
152.07875	1.9
153.05492	5.7
153.06908	1.0
157.10110	1.2
158.07291	1.1
159.07997	5.1
159.11679	1.3
160.08862	2.0
161.05983	1.0
161.09593	2.4
162.06772	11.5
163.07527	6.0
164.35268	0.8
165.05409	1.8
165.09131	12.7
167.08531	1.1
169.06548	0.9
171.08049	22.3
172.08777	3.8
173.05988	2.2
173.09636	3.6
174.06729	1.8
175.07536	7.9
175.11188	1.6
176.08328	1.0
177.09114	13.2
179.07031	2.2
186.06638	0.9
187.07521	1.9
188.08316	28.1
189.09122	4.1
189.11058	0.8
191.10689	3.4
193.12201	1.0
199.07614	1.4
201.09140	5.2
202.09891	2.5
203.10672	80.5
204.10963	4.1
205.12250	3.5
213.09047	1.0
215.07024	1.1
217.12233	1.8
219.08124	1.6
221.11725	83.8
222.12129	3.5
226.09843	1.2
227.06998	1.3
227.10594	1.0
229.12064	1.3
231.48883	0.8
233.09535	1.2
235.13367	1.5
241.08447	1.6
241.12276	3.3
249.09201	1.4
251.05214	1.1
251.10690	1.3
253.08559	1.8
255.06557	1.0
255.10168	1.5
256.26236	0.8
257.08099	1.5
259.09702	1.1
259.13376	4.3
262.09650	1.5
263.10602	1.2
265.12418	1.9
267.10284	1.3
269.08246	2.0
270.08893	1.0
271.09698	1.4
277.12137	1.9
278.09470	1.5
279.10403	1.3
279.23264	1.2
281.08069	1.0
283.09653	1.3
283.13293	1.5
285.07550	2.1
285.11090	1.3
291.10062	0.9
293.11694	1.9
295.09851	1.0
295.13245	1.6
297.11230	2.5
304.10919	1.2
305.11835	3.2
309.11423	1.0
309.14746	1.3
311.12833	3.7
313.14438	1.1
318.12531	1.2
319.13242	2.1
321.11221	1.8
323.12793	1.2
325.14374	7.9
326.15128	8.3
333.14722	1.8
335.12866	1.6
337.14337	3.6
341.13815	1.7
343.15454	3.5
351.15860	2.3
353.13760	1.5
355.15024	1.2
365.17554	5.7
383.18546	3.2
403.19022	2.9
421.20102	2.7
449.19577	2.7
459.17932	2.7
461.19510	2.4
475.21185	2.0
477.18896	7.5
505.22342	1.4
517.26282	0.9
527.24457	5.6
533.25336	1.4
545.25244	5.3
563.25641	0.9
651.29211	5.3
652.29187	1.2
669.30713	8.4
670.30597	1.6
704.37292	7.6
705.39508	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	704.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.2
55.01864	1.0
55.05508	1.5
59.04995	1.8
63.93591	1.0
65.03949	6.8
66.04751	1.0
67.05498	3.2
69.07069	2.8
70.64916	1.8
79.05489	4.7
81.07064	3.8
83.01302	0.8
83.08579	1.1
91.05476	23.7
93.03405	4.9
93.07058	2.3
94.04197	3.4
95.04971	5.3
95.08567	1.5
97.06561	0.9
103.05470	4.1
105.07026	11.4
107.04956	9.4
107.08624	1.4
109.06538	1.8
111.04433	6.1
115.05466	2.8
117.07025	4.8
119.04935	15.5
119.08560	1.4
121.06490	5.3
121.10165	1.4
122.03623	7.9
123.04456	2.7
125.05983	4.9
128.06192	6.2
129.07030	2.5
131.04964	2.5
131.08562	2.2
132.09024	1.0
133.06493	7.4
133.10086	1.4
135.08089	2.1
136.05203	1.3
137.05969	100.0
138.06325	3.0
139.03899	1.4
141.07036	1.4
142.07887	1.2
143.08549	22.8
144.05687	1.2
144.08888	1.5
145.06483	14.1
145.10146	3.4
147.04437	1.0
147.08023	2.2
148.08842	1.1
149.05998	2.1
151.03929	15.9
151.04999	2.0
151.07533	71.0
152.07907	2.0
153.05457	7.3
153.06609	0.9
155.08612	1.3
157.06516	1.7
158.07251	4.0
159.08083	7.6
160.08873	2.5
161.05972	1.4
161.09624	2.9
162.06732	8.0
162.36485	0.8
163.07547	10.3
165.05505	1.9
165.06953	1.0
165.09109	12.3
171.08041	26.3
172.08789	4.6
173.05937	4.0
173.09595	6.0
174.06749	2.1
174.10399	1.3
175.07573	3.1
175.11198	1.9
177.09087	6.7
179.07040	12.9
185.09715	0.8
186.10371	11.0
187.07581	3.1
187.11205	3.5
188.08322	27.1
189.09097	4.6
191.06969	0.9
191.10754	2.9
199.07603	1.5
201.09093	7.4
202.09862	5.5
203.10658	82.0
204.11092	4.1
205.08643	1.5
205.12311	2.1
207.10194	3.3
209.09508	0.9
211.07516	2.0
217.08655	3.7
219.10187	2.6
221.11711	41.4
222.10246	1.1
222.12196	1.9
225.09166	2.3
227.06940	1.2
227.10687	1.4
233.09679	1.5
235.07506	1.5
235.09517	1.8
239.07098	3.1
240.07906	1.1
241.08621	3.7
241.12164	1.1
248.08281	1.2
249.09175	2.6
250.09947	1.0
253.08632	3.5
254.05518	0.8
254.09352	5.3
255.06453	1.9
255.10094	1.1
257.07910	1.1
259.09732	1.6
261.09039	1.7
263.10635	4.2
265.08517	1.0
265.12213	1.4
267.10022	1.4
269.08145	7.4
270.09033	1.8
271.09695	1.6
277.08640	1.2
278.09317	1.1
279.10165	2.0
279.13626	1.0
280.11026	1.6
281.11761	3.0
282.08954	1.0
283.13431	1.8
285.07605	11.2
285.10815	1.3
287.09103	0.9
291.10034	1.2
293.11630	5.0
294.09091	1.5
295.10080	1.5
295.13202	7.4
297.11185	1.5
297.14709	0.9
299.12866	1.0
309.11203	2.4
309.14960	2.4
310.12091	1.6
310.15564	9.2
311.12790	3.8
311.16248	1.5
313.14355	1.1
325.14294	14.4
326.14993	4.4
337.14407	1.1
341.13837	11.3
343.15482	4.0
351.16153	1.3
353.13718	1.4
355.15079	1.8
393.20306	1.0
403.18784	1.1
421.20096	2.0
449.19583	2.0
459.18201	1.3
461.19962	4.1
475.21002	2.9
477.19025	3.5
479.20444	1.9
493.22086	1.3
527.24469	2.1
545.25366	4.2
550.43768	0.8
651.29590	6.7
669.30420	13.1
670.30798	2.0
704.38544	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30273	1.2
55.01869	1.5
55.05494	2.2
59.04983	2.3
64.48921	1.3
65.03931	6.7
67.05507	6.4
69.07064	3.7
73.79578	1.4
74.72831	1.3
79.05482	7.4
81.07058	8.7
83.04968	2.3
83.08602	1.6
91.05475	27.4
93.03401	3.9
93.07047	7.5
94.04186	4.1
95.04961	6.9
95.08607	6.0
97.06514	1.4
98.22553	3.2
101.28489	1.4
103.05475	4.6
105.07031	14.1
107.04983	6.5
107.08568	7.3
109.06532	3.2
109.10133	3.4
111.04433	5.5
115.05489	2.8
117.07022	5.6
119.04946	14.6
119.08588	3.3
121.06491	5.2
121.10120	2.7
122.03645	7.7
123.04408	3.4
123.08107	2.0
125.05984	7.6
125.09595	1.6
128.06213	5.7
129.07043	1.5
131.04958	1.9
131.08563	4.4
133.06491	5.0
133.10097	2.8
135.04343	1.8
135.08035	1.7
135.11700	1.8
136.05209	2.6
137.05975	100.0
138.06310	3.2
139.03870	3.4
143.08549	27.0
144.05716	1.7
145.06473	12.5
145.10143	7.3
147.08052	3.7
149.05965	2.1
151.03967	11.3
151.07539	66.3
152.07869	1.6
153.05481	10.8
153.06609	1.9
155.08586	1.5
157.06523	2.2
157.10158	1.8
158.07269	3.2
159.08069	7.8
160.08752	1.8
161.06061	1.7
161.09674	1.6
162.06767	5.7
163.07552	11.8
163.11191	2.0
165.09114	12.7
171.08052	26.9
172.08791	5.6
173.06010	5.1
173.09593	6.7
174.06779	2.9
175.07545	4.9
175.11166	1.9
177.09096	6.5
179.07085	9.2
186.10374	14.2
187.07561	3.4
187.11150	3.6
188.08337	31.5
189.05345	1.7
189.09076	7.2
191.10608	4.3
198.06796	1.5
199.07500	2.3
201.09094	9.4
202.09854	7.2
203.10667	97.9
204.11006	5.0
205.08578	2.5
207.10223	1.5
211.07512	2.0
217.08545	4.5
219.10216	3.8
221.11726	31.7
225.09184	1.6
227.06935	2.6
227.10576	2.8
233.09634	2.2
239.07008	2.6
241.08557	3.2
241.12250	4.1
248.08330	1.6
249.09242	1.7
252.07828	1.6
253.08688	3.3
254.09312	3.7
255.06732	1.8
255.10144	1.6
257.08185	2.4
259.09683	2.2
259.13269	4.0
261.09167	3.0
263.10641	4.0
265.12076	1.7
267.10281	1.8
269.08075	5.7
270.08786	2.1
273.11234	1.5
277.08514	1.6
278.09232	1.7
279.10239	2.8
281.11710	3.3
285.07620	11.8
285.10666	2.1
291.09961	2.0
293.11667	6.3
295.13278	4.9
309.11145	2.3
309.14609	2.3
310.15680	9.2
311.12726	3.2
323.12967	2.1
325.14310	14.6
326.15140	3.9
337.14246	3.2
341.13757	13.4
342.14310	2.1
343.15561	2.3
365.17493	2.0
372.05176	1.5
383.18527	3.8
383.88559	1.7
403.19312	2.2
461.19446	2.6
475.21036	3.1
479.20483	1.6
527.24036	2.8
545.25360	1.9
651.29724	8.0
652.29596	1.9
669.30261	10.6
670.30933	2.2
677.31677	1.5
704.38147	4.5
705.37732	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	704.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
63.57572	1.2
67.05497	3.4
67.62234	1.4
69.03387	1.8
70.95296	2.8
79.05481	1.6
81.07054	3.8
81.28589	1.5
91.05483	2.3
93.07009	1.5
95.08639	2.1
98.45049	1.3
103.05480	2.7
105.07047	2.7
107.04916	2.6
107.08601	2.4
109.10144	4.7
119.08606	2.2
121.02846	3.8
122.03638	1.7
123.04409	4.7
123.11703	3.6
123.61658	1.2
131.04953	2.9
133.06482	1.8
135.04388	2.4
135.08046	5.0
137.05966	28.0
137.09598	8.8
139.03870	2.4
147.04379	2.2
149.09602	1.6
151.03902	5.6
151.07478	2.8
153.01793	2.8
161.05978	3.3
163.04024	1.5
163.07512	8.9
165.09108	100.0
166.09431	4.8
167.07011	4.5
175.07516	2.2
181.04980	8.4
203.10588	1.7
205.12289	2.3
223.13393	1.8
235.07663	1.6
249.72511	1.5
303.08557	5.7
337.23676	3.3
403.13654	2.0
471.30972	2.0
489.32053	5.5
550.79053	1.5
692.13617	1.5
704.34369	5.1
705.17468	6.3
705.35608	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.4497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47422	0.1
55.05516	0.5
56.05041	0.6
57.07089	0.3
58.06375	0.2
58.06633	0.4
60.07866	0.3
60.08167	5.0
65.03936	0.1
67.05505	1.4
69.03472	0.2
69.07076	0.5
70.06599	0.2
71.05001	0.3
71.07378	3.0
71.08629	0.2
71.31854	0.2
72.07697	0.2
79.05502	0.5
81.03427	0.1
81.07063	1.3
83.04945	0.2
83.08624	0.3
85.80514	0.1
86.09706	26.4
86.76743	0.1
87.10049	0.4
87.42269	0.1
91.05488	0.5
93.07043	0.5
95.08620	0.7
97.06562	0.1
97.10203	0.2
98.06068	0.2
98.98464	3.2
104.10741	1.8
105.07059	0.5
107.08603	0.5
109.10165	0.5
117.07030	0.2
118.29851	0.1
119.08556	0.3
121.10150	0.3
123.11683	0.2
125.00005	17.3
125.09556	0.1
126.00345	0.2
129.07074	0.1
131.08597	0.2
133.10126	0.5
135.08078	0.1
135.11711	0.2
143.01025	0.2
147.11668	0.1
151.11192	0.2
157.10106	0.1
159.11678	0.2
161.13261	0.2
161.77014	0.1
175.62276	0.1
184.07343	100.0
185.07710	2.5
197.86259	0.1
227.12727	0.2
249.31906	0.1
253.14426	0.8
271.15305	0.2
311.25928	0.1
419.11252	0.1
448.20944	0.2
496.33820	0.3
507.36487	0.3
519.40076	0.2
521.37811	0.1
531.40466	0.3
563.43225	0.9
564.42584	0.2
575.50214	0.2
654.41125	0.3
704.45135	3.9
705.43231	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.4936
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67794	1.2
53.03947	1.3
55.05513	7.6
57.03431	8.7
57.07076	25.2
61.02919	3.3
65.03945	1.2
67.05506	32.0
69.07072	11.5
71.04988	2.6
71.08627	19.6
79.05493	12.4
81.03411	2.1
81.07055	41.3
82.07363	1.1
83.04979	2.4
83.08611	14.5
85.02860	1.7
85.06567	2.5
85.10172	11.5
89.06039	1.7
91.03969	1.6
91.05471	7.4
93.07046	22.1
95.04987	1.5
95.08604	20.1
97.02885	1.6
97.06542	4.1
97.10149	4.2
105.07026	3.3
107.08587	12.2
109.06516	1.3
109.10157	9.1
111.08053	2.8
111.11659	1.2
117.07026	3.4
121.10175	7.1
123.11713	4.9
131.08546	2.6
133.10146	4.0
135.11693	4.6
137.13188	1.5
149.13261	12.3
159.11693	4.7
177.12712	2.4
184.07336	3.0
195.13792	5.6
196.12254	1.3
200.15454	1.2
239.23656	2.5
257.24646	2.2
267.27548	1.2
269.17468	61.7
270.17758	3.4
285.44708	1.2
293.25906	1.3
313.27350	84.5
314.27695	4.8
353.30774	1.4
507.40457	100.0
508.40802	13.1
575.50128	4.1
704.48297	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.7
53.03938	1.4
55.01873	2.2
59.83773	0.3
63.56799	0.3
65.03932	2.9
67.05495	2.7
68.99787	1.1
69.03412	1.4
69.37341	0.7
69.37752	1.7
71.32230	0.3
77.03915	0.8
79.05492	5.0
81.03406	1.3
81.07044	1.0
82.04188	0.7
85.02905	2.8
91.05473	2.3
93.03394	1.6
93.07040	0.6
93.40912	0.4
95.01276	0.3
95.04960	4.8
97.02879	1.4
97.06504	0.8
98.23356	0.6
103.05430	0.7
105.03378	1.5
105.04522	0.5
105.07021	2.3
107.04227	0.6
107.04952	11.9
107.08576	0.6
108.02074	0.7
109.02869	1.4
110.03633	0.5
111.04439	1.8
115.05432	0.9
117.07011	1.3
119.04936	4.6
121.02867	0.9
121.06502	0.7
122.03682	0.5
123.04424	32.8
124.05175	1.2
125.05980	2.2
126.12321	0.3
127.03906	1.1
131.04901	0.7
133.06485	2.9
135.04416	4.6
137.02348	0.8
137.05975	2.9
139.03900	13.0
140.04221	0.4
141.06982	0.4
142.02588	1.4
143.04889	1.1
145.06523	1.8
147.04398	16.3
149.06012	1.0
151.03897	100.0
152.04211	3.7
153.01801	0.3
153.05453	3.3
155.05992	0.4
155.07080	0.7
161.05984	7.0
163.03888	4.5
163.07506	0.8
165.05492	6.7
165.06889	0.7
166.05894	0.4
167.07031	36.0
168.07408	1.5
169.04915	0.8
169.06448	0.4
171.06490	1.0
173.05994	4.7
175.03853	0.8
175.07567	0.8
177.05444	0.9
177.09203	0.4
178.06302	0.5
179.03384	0.3
179.06995	1.4
181.04947	38.5
182.03908	0.4
182.05283	1.7
183.06471	0.7
183.07953	0.3
187.07495	0.6
189.05478	2.3
189.09138	0.4
189.12793	0.3
191.07088	0.7
193.04947	4.2
193.06757	0.7
193.08586	5.5
197.06076	0.5
199.07387	0.4
201.05418	3.4
205.08600	1.6
206.05696	0.4
207.06531	2.9
211.07518	0.9
211.09683	1.5
213.83585	0.3
215.07007	1.6
217.08572	1.5
219.06570	0.4
221.08080	10.8
222.08430	0.7
225.05539	0.4
233.08061	4.1
239.06975	0.8
243.06453	0.9
249.07574	4.7
257.08078	0.6
261.07681	0.4
265.08490	0.4
267.06516	1.0
285.07596	2.7
288.11246	0.3
295.08136	0.3
303.08615	58.6
304.08960	3.9
313.09317	0.3
326.11481	0.4
347.09296	0.5
373.12369	0.5
387.14359	13.6
388.14810	1.8
399.10751	0.5
403.13852	49.5
404.14166	4.8
415.13852	18.3
416.14514	1.6
559.17963	0.4
705.36438	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.9
53.63106	0.2
55.01870	0.5
57.03436	0.3
57.98561	0.2
64.55841	0.2
65.03943	3.9
67.05504	1.9
69.03435	2.4
69.07053	0.3
69.17092	2.1
70.06567	0.2
71.04990	0.3
79.05491	0.6
81.03406	2.6
82.00576	0.3
82.04195	1.9
83.69617	0.2
85.02454	0.4
85.02911	4.3
91.05460	0.6
93.03397	0.9
95.04975	2.4
97.02907	1.3
97.06545	1.2
98.23468	0.3
99.04463	0.4
103.05463	0.9
105.04494	0.3
105.07009	0.5
107.04994	0.3
108.02084	0.9
109.02863	1.1
110.03665	2.1
110.46677	0.2
111.04424	0.9
117.07027	0.4
121.06496	0.4
122.03642	1.0
123.00809	0.3
123.04419	1.8
125.02324	0.4
125.05994	1.2
127.03886	0.5
131.04929	1.0
133.06467	1.2
135.08031	0.7
137.05981	11.6
138.03117	1.0
138.06255	0.4
139.04085	0.2
140.04684	7.8
140.05774	0.4
142.02612	2.7
145.06459	0.5
146.03679	0.3
147.04391	0.3
147.08025	0.3
149.05997	0.3
151.03889	1.0
151.07520	1.4
153.01865	0.3
153.05449	0.9
155.04839	0.2
155.07019	3.3
156.07365	0.3
157.06477	0.3
161.05956	0.7
163.07547	2.3
166.02548	0.2
167.07008	0.6
169.06531	0.4
171.06575	3.1
171.07968	0.5
173.08052	0.3
175.07501	0.9
181.04950	100.0
182.05298	4.0
187.07533	0.7
188.36081	0.3
189.09143	0.8
191.06934	0.3
191.10637	0.3
193.08618	0.4
199.06018	4.7
201.09116	0.4
203.10742	0.3
219.10173	0.6
247.09621	0.3
295.13281	0.7
325.09198	1.8
327.15851	0.6
343.10211	4.0
351.15860	0.3
369.17050	0.3
403.13986	0.6
433.59207	0.3
435.17700	0.4
457.62918	0.3
546.75763	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.4
63.02384	0.7
64.75874	0.6
67.05482	2.4
69.07046	1.7
71.33976	0.7
71.35020	0.5
78.04711	0.9
79.05488	2.5
81.07053	4.2
83.04982	0.9
83.08614	1.0
89.03912	10.0
91.05471	2.1
93.07047	2.9
95.08597	3.3
105.07015	2.8
107.08573	2.9
109.06541	0.6
109.08399	0.6
109.10160	2.0
115.72996	0.6
117.03371	27.1
117.07040	0.8
118.03717	0.8
119.08559	2.9
121.10130	2.1
123.11673	0.8
125.09673	0.9
131.08559	1.8
133.10120	2.0
134.03593	1.8
135.04445	1.4
135.08014	0.5
135.11665	1.0
143.08531	0.9
145.02843	52.3
145.10118	3.0
146.03136	1.0
147.11668	1.6
149.05945	7.3
149.09602	0.6
153.01317	0.6
157.10081	0.7
158.05940	0.7
159.11662	2.1
161.13235	1.1
163.03932	0.7
171.11717	0.7
173.13318	1.3
175.14926	0.8
177.05464	100.0
178.05809	3.9
185.13243	0.7
186.05461	2.2
187.14803	2.0
189.11235	0.8
189.16426	0.9
197.13319	1.1
199.14822	1.3
201.12746	0.7
201.16376	1.7
213.16376	1.3
215.17975	0.6
219.17310	0.6
241.19536	0.7
270.17749	0.6
405.31509	2.8
407.33051	0.8
433.30798	0.6
451.32117	1.7
571.15790	0.7
634.00574	0.7
705.39923	4.0
705.57367	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.7
55.05504	1.9
56.05862	0.6
57.07059	0.7
61.62729	0.6
63.02376	0.7
67.05504	1.9
69.07060	2.4
70.06548	0.6
71.04980	0.7
71.33845	0.7
78.04715	0.7
79.05482	1.5
81.07046	4.4
81.61976	0.5
81.62511	0.6
83.04979	1.0
83.08609	1.4
89.03918	10.0
91.05465	2.4
93.07060	4.0
95.04961	0.7
95.08607	4.1
97.10146	1.1
103.05523	0.6
105.07005	3.5
106.04102	0.5
107.08604	3.6
109.06478	0.6
109.10145	1.5
111.08103	1.1
112.78593	0.7
117.03378	27.0
119.08551	3.6
121.10131	1.8
123.11679	1.1
125.09693	0.9
131.08563	1.7
133.10098	2.2
134.03632	1.7
135.04427	1.1
137.09734	0.7
143.08543	1.2
145.02838	63.2
145.10088	3.1
146.03175	1.7
147.11646	1.6
149.05969	9.6
149.13300	1.5
155.08530	0.7
157.10114	1.5
159.11707	2.1
161.13266	1.2
163.14781	1.7
171.11719	1.3
173.13254	2.0
175.14847	1.7
177.05463	100.0
178.05820	4.3
184.07364	1.5
186.05504	2.8
187.14870	3.1
189.16321	1.2
199.14830	1.4
201.16367	1.9
203.17918	1.0
205.15860	0.9
213.16409	0.7
217.15875	0.8
227.12672	0.9
227.17902	0.7
241.19489	2.1
243.21439	0.6
246.25743	0.6
405.31607	3.7
407.32907	1.4
423.32346	1.5
451.31946	3.8
472.59964	0.6
483.34418	1.8
525.35120	0.7
705.41254	3.0
705.56970	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4024
Annotation	Voacamidine
Peak:m/z	Relative Intensity
52.62399	0.3
54.77116	0.3
56.42769	0.3
67.05492	0.7
69.07065	0.3
69.64653	1.8
78.01954	0.3
79.05476	0.4
81.07061	0.6
83.50209	0.3
86.09716	1.7
87.04461	1.2
93.07040	0.8
95.08598	0.6
96.12587	0.3
97.49498	0.3
99.74157	0.3
107.08634	0.3
109.10150	0.3
116.55859	0.3
125.00013	0.8
131.88409	0.3
137.91238	0.3
161.13239	0.3
167.07156	0.3
184.07329	5.6
184.08841	0.5
185.04219	0.7
203.05301	0.4
208.10007	0.3
259.07880	0.3
347.09573	0.7
543.34998	17.7
544.35352	2.8
705.40210	100.0
706.40497	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	706.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.9
52.02849	0.8
53.03933	4.1
54.04236	1.0
55.01871	20.4
55.05508	32.4
57.03436	26.4
57.07068	2.4
59.04993	4.1
61.02925	8.2
65.03928	1.8
67.03931	0.9
67.05502	38.2
69.03435	5.6
69.07067	9.4
70.04208	1.2
70.33235	1.8
71.01350	1.7
71.04989	5.7
73.02908	6.7
79.05489	40.8
80.06263	1.1
81.03416	22.0
81.07054	30.9
82.04190	3.6
82.07357	1.1
82.94202	0.8
83.01344	9.7
83.04971	22.7
83.08614	17.1
84.02123	2.7
84.05750	1.3
84.08928	1.2
85.02391	1.3
85.02890	10.5
85.06533	2.2
91.03948	2.5
91.05476	27.7
93.07038	35.2
95.04372	0.7
95.04967	18.7
95.08607	12.6
97.02872	10.3
97.06522	10.9
97.10175	13.1
98.07314	7.3
99.04446	3.1
101.05978	1.0
105.07021	15.2
107.04948	13.0
107.08587	22.4
109.02824	1.5
109.06504	8.4
109.10152	8.4
111.04436	3.7
111.08101	4.8
115.05441	1.8
116.04704	14.7
117.07019	10.9
119.08566	15.0
121.06493	4.2
121.10144	9.7
123.08051	13.1
125.05988	1.9
125.09624	17.7
127.03932	1.3
127.07538	1.2
129.05470	32.6
129.06915	5.3
130.07808	1.5
131.08580	5.4
133.10129	6.5
135.08026	3.5
135.11685	14.9
136.12003	1.1
137.09621	4.4
139.07542	2.0
139.11171	1.1
143.07005	6.5
145.04941	1.1
145.06476	1.4
145.10127	17.3
147.07994	3.3
147.11676	4.8
149.05968	1.1
149.09608	3.1
153.09087	2.3
153.12737	3.8
155.08543	2.6
157.08594	13.6
157.10094	3.3
158.05788	1.7
161.09669	2.0
163.11172	28.2
164.11568	1.0
165.12701	1.2
171.06522	2.5
171.10153	4.6
173.09564	4.7
173.11771	1.5
175.11095	2.6
181.12236	4.6
185.11711	2.1
189.11211	7.1
190.09909	2.3
190.11671	0.9
191.10640	5.3
192.11382	1.0
193.12204	4.2
196.24518	1.0
199.13315	6.3
200.13988	1.9
201.14819	3.6
209.11705	10.4
210.12411	3.5
211.13181	1.6
227.12755	18.3
255.15866	1.3
265.14294	1.7
267.15964	8.1
268.16269	1.0
283.15378	100.0
284.15790	6.6
289.29910	0.9
297.16855	0.9
301.16431	87.0
302.16812	6.1
337.16318	3.9
365.19815	1.1
377.27487	0.9
383.22012	2.5
401.23227	1.6
407.24225	2.0
425.25110	1.2
436.24472	1.1
437.25342	5.1
438.25409	1.3
457.25693	3.9
472.19357	1.1
474.26221	2.0
475.26828	10.5
476.27237	1.5
491.26169	4.0
492.27237	6.4
493.27426	1.6
509.27441	88.5
510.27884	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	706.4003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.4
55.01872	7.5
55.05511	20.7
56.96634	0.8
57.03438	10.6
57.07075	2.7
59.04991	4.5
61.02927	6.8
65.03940	3.1
67.05505	62.1
68.05843	1.9
69.03428	4.2
69.07066	9.9
69.28298	7.2
70.29217	1.0
71.04990	27.3
73.02917	1.8
73.06552	1.2
79.05491	32.4
80.05785	1.1
81.03414	13.4
81.07055	100.0
82.07404	3.1
83.01344	7.2
83.04979	14.3
83.05434	1.3
83.08618	15.8
83.79944	0.9
85.02901	8.6
85.06541	11.5
86.09760	1.3
91.03958	1.8
91.04979	0.6
91.05477	32.8
93.07048	34.7
94.07384	1.1
95.04970	8.9
95.08606	16.8
97.02354	1.0
97.02875	6.4
97.06528	8.2
97.10182	3.2
99.04464	2.7
99.08094	2.2
105.04526	1.3
105.07024	18.9
107.04955	8.4
107.08595	22.5
109.02969	1.2
109.06525	7.5
109.10139	8.5
111.04422	4.4
111.08103	3.6
113.06071	0.9
117.07022	10.1
119.08572	9.0
121.06522	4.6
121.10145	12.9
121.38763	1.0
123.08077	9.2
123.11702	14.2
125.06002	3.5
125.09648	1.6
127.03933	0.9
129.07022	3.4
131.04990	2.1
131.08598	7.8
133.06509	1.3
133.10121	19.6
135.04443	1.3
135.08049	3.0
135.11684	13.3
137.05980	5.8
137.09645	1.8
143.08598	1.8
145.06499	1.5
145.10120	14.6
147.04445	2.0
147.08037	2.6
147.11690	1.5
149.06044	1.3
149.09607	1.8
149.13231	5.5
151.03897	3.9
151.07570	3.0
151.11139	9.3
153.12753	2.3
155.08531	1.6
157.06406	0.9
157.10048	1.0
159.08087	1.0
159.11682	5.0
159.92453	0.8
161.06079	1.7
163.03966	1.2
163.07497	1.6
163.11182	21.9
163.12454	1.6
164.11549	1.7
165.09106	2.1
169.12294	1.6
171.08046	1.8
173.09624	3.7
175.07556	2.0
177.12801	2.8
179.07059	1.4
181.12198	2.5
183.13792	3.4
187.13332	4.9
191.10699	2.2
193.08630	3.3
195.13841	3.0
201.14847	1.8
203.10718	3.7
205.08636	1.9
209.11687	4.5
213.14922	1.0
225.14871	1.7
227.12900	2.6
230.24828	1.6
253.14215	1.6
253.18027	1.5
257.17557	1.5
269.17410	11.5
270.08649	1.1
270.17953	1.5
283.15408	21.9
284.15793	1.8
301.16821	1.3
301.20059	14.8
315.18030	1.6
345.13321	2.8
427.70999	1.0
433.25659	1.2
451.26889	98.0
452.27203	10.6
459.27335	2.9
465.28595	10.2
466.29166	0.9
477.28476	47.8
478.28735	5.6
509.31061	90.7
510.31525	11.4
580.01202	1.0
707.39130	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.4651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.2
56.05034	0.6
57.07073	0.1
58.06618	0.4
59.07371	0.1
60.08163	5.8
67.05512	0.5
69.07059	0.1
70.06577	0.2
71.07375	3.3
71.08619	0.1
76.50372	0.1
76.76391	0.1
78.15821	0.1
79.05479	0.3
81.03426	0.4
81.07056	0.6
83.04951	0.2
83.08622	0.1
85.02901	0.1
86.09703	28.5
87.04446	0.4
87.10027	0.7
88.84203	0.1
91.05457	0.4
93.07041	0.4
95.04967	0.1
95.08600	0.4
98.98464	3.3
104.10747	2.3
105.07011	0.2
107.08614	0.1
109.10162	0.2
119.08592	0.2
121.10143	0.2
125.00000	18.9
126.00354	0.1
129.07010	0.1
131.08569	0.2
131.54614	0.1
133.10117	0.1
143.01079	0.3
147.11668	0.1
149.09630	0.1
157.10132	0.1
184.07336	100.0
185.07697	2.0
193.12271	0.2
210.31339	0.1
211.13277	0.2
285.17004	0.1
335.25809	0.3
457.26398	0.1
478.33444	0.1
496.34079	0.2
544.35614	0.1
545.38556	0.2
706.46802	4.7
707.47363	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09294	0.2
65.29668	0.2
70.99854	0.3
74.03733	0.3
81.03409	0.5
82.99778	1.5
94.99868	0.6
96.73026	0.3
97.02874	0.3
101.00870	5.7
102.00935	0.4
106.06464	0.3
109.02862	0.4
113.00861	1.0
114.27169	0.3
115.02430	0.3
119.01105	0.6
119.01923	10.4
120.01956	0.7
122.01363	0.6
127.02406	1.4
127.03904	0.3
128.01350	0.4
131.01898	4.1
132.01949	0.3
137.00827	0.3
137.01863	1.5
137.02936	0.7
137.51958	0.4
139.02397	0.7
143.01897	17.8
143.51953	0.6
144.01973	1.2
145.03459	7.4
146.03613	0.4
147.01389	0.6
149.01837	0.8
149.02931	0.4
152.02409	0.7
152.93805	0.3
153.04018	0.3
155.01889	9.6
156.02066	0.5
157.03471	4.3
158.02359	0.7
158.03578	0.4
161.02957	15.3
162.03023	1.0
163.04477	0.8
164.02423	0.4
167.01891	7.7
168.02040	0.5
169.03473	2.7
171.01382	0.3
171.04982	2.0
173.02966	16.3
173.53052	0.3
174.03114	1.4
175.04526	1.0
179.01857	3.3
181.03441	0.5
182.03426	0.3
184.04474	0.3
185.02957	32.8
186.03101	2.5
187.04570	3.8
191.04099	0.5
197.02954	13.6
198.03120	0.9
199.04547	0.7
203.03993	9.3
204.04208	0.7
208.04616	0.3
209.02965	1.4
212.04443	0.3
215.04002	9.0
216.04054	0.5
221.05038	1.2
224.04497	1.0
227.03996	7.6
228.04140	0.4
233.05121	0.6
235.92883	0.3
239.04060	0.8
240.04529	0.3
245.05060	100.0
246.05254	8.1
254.05591	0.4
257.05048	5.2
257.07584	0.4
258.05139	0.3
263.06137	14.2
264.06284	0.8
275.06119	13.5
276.06351	1.4
284.06659	2.5
284.56699	0.6
287.06070	0.5
293.07172	2.7
305.07144	11.0
306.07303	1.2
317.07138	0.5
329.07141	0.4
335.08206	4.3
336.08542	0.4
347.08179	1.1
365.09290	47.8
365.59421	0.9
366.09467	5.7
383.10248	3.0
384.10767	0.3
407.10382	0.6
425.11392	37.7
426.11597	4.6
437.11450	3.2
438.11542	0.6
455.12378	2.0
485.13495	0.6
707.19318	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87493	0.3
61.31969	0.3
66.93752	0.3
70.99821	0.3
71.31651	0.3
74.03696	0.3
82.99803	1.7
86.99319	0.4
94.19986	0.3
94.99841	0.4
97.02853	0.4
101.00867	5.7
109.02880	0.4
113.00824	1.1
119.01920	11.6
120.01976	0.7
120.70566	0.3
122.01344	0.8
125.06599	0.3
127.02444	1.4
129.00319	0.4
131.01135	0.3
131.01913	4.8
133.03476	0.3
137.01880	1.2
137.02943	0.9
139.02368	0.9
140.68286	0.3
143.01897	18.6
143.51927	0.5
144.01933	1.2
145.03467	7.3
147.01376	1.0
147.05058	0.3
147.93594	0.3
149.01848	0.7
149.03003	0.4
152.02428	0.8
152.52394	0.3
155.01886	9.1
156.01956	0.7
157.03473	4.8
158.03534	0.5
161.02951	16.2
162.03065	1.3
163.04489	0.9
164.02449	0.6
167.01871	6.7
167.03172	0.5
168.02081	0.6
169.03447	3.1
171.01424	0.4
171.05023	2.6
173.02957	17.8
174.03093	0.9
175.04465	1.0
177.87967	0.3
179.01804	3.2
182.03471	0.4
185.02951	33.9
186.03107	1.9
187.04501	3.7
188.03329	0.5
188.04831	0.4
191.04030	0.7
194.03461	0.6
197.02953	14.3
198.03157	0.9
199.04442	0.9
203.03984	11.4
203.54137	0.5
204.04173	0.7
209.02849	1.5
212.04399	0.4
213.13858	0.3
215.04004	8.4
216.04163	0.8
221.03172	0.4
221.05112	2.1
224.04472	0.7
227.01848	0.6
227.03996	8.3
228.04205	0.8
233.05090	0.5
239.03949	0.6
239.06163	0.8
245.05055	100.0
245.27426	0.4
246.05260	8.6
249.06187	0.3
254.05612	0.4
257.05063	5.6
263.06110	15.1
264.06348	1.3
275.06107	15.2
276.06311	1.4
284.06650	2.1
284.56668	0.3
286.07742	0.5
293.07147	3.1
305.07172	11.2
305.10663	0.6
306.07336	0.9
317.07214	0.8
335.08212	3.9
336.08319	0.3
347.08136	1.2
365.09280	41.0
366.09506	3.9
383.10422	3.7
407.10352	0.7
425.11371	33.1
426.11737	3.5
437.11191	2.6
455.12244	1.4
471.18094	0.3
659.46954	0.4
707.18994	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3761
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07059	0.6
57.48578	0.5
60.08170	0.9
60.12151	0.5
67.05511	1.1
69.07077	0.9
69.70316	1.9
69.70728	1.1
73.94765	0.5
79.05509	1.5
81.07062	2.3
86.09708	2.5
87.04463	0.8
87.10076	0.7
91.05486	0.8
93.07056	1.7
95.08604	1.0
105.07033	0.8
107.08607	1.2
109.10134	0.7
121.10159	0.6
125.00021	2.6
133.10059	0.6
135.11658	0.7
173.53835	0.6
184.07344	11.4
185.07735	1.5
329.34042	0.6
359.25632	0.8
429.15582	0.8
473.80246	0.7
707.37512	100.0
708.37927	15.2
708.49725	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.6
55.05502	0.9
55.62403	0.6
59.10577	0.7
60.08163	1.3
67.05508	2.9
69.07081	1.5
69.17944	4.5
71.07380	1.0
75.49597	0.5
79.05489	2.6
79.83734	0.5
81.03419	0.7
81.07073	3.6
83.08611	0.9
86.09697	7.7
87.04469	1.9
87.10040	0.8
88.69950	0.6
91.05492	2.3
93.07043	3.1
95.04971	1.1
95.08605	2.3
98.22562	0.8
98.98441	1.1
105.07045	1.4
107.08586	2.1
109.10184	1.2
116.95997	0.8
119.08566	0.7
121.10166	0.9
124.99991	5.2
131.08537	0.8
133.10101	1.1
135.11681	1.3
145.09993	0.7
147.18047	0.7
184.07335	20.5
185.07712	2.5
535.26855	1.2
680.61676	0.6
707.37500	100.0
708.37909	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	707.3972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
55.01862	0.5
55.05513	2.6
57.03453	1.5
57.07068	0.5
61.02923	6.1
65.03955	0.4
67.05508	5.8
69.03428	4.4
69.07071	1.5
71.01341	0.5
71.04992	0.8
73.02914	4.2
75.04466	0.5
79.05492	4.2
81.03416	2.6
81.07053	5.6
83.04998	0.6
83.08627	1.6
85.02901	5.4
87.04469	0.8
91.03956	3.5
91.05476	2.4
93.07046	3.8
94.07383	0.4
95.04954	0.6
95.08606	4.4
97.02892	5.9
97.06529	0.7
97.10165	2.5
99.04453	0.9
99.08104	0.3
101.02382	2.0
103.03920	0.5
105.07018	1.6
107.08593	2.9
109.02171	0.3
109.02895	1.0
109.06503	0.5
109.10149	2.3
111.08110	0.5
115.03949	0.6
115.05404	0.3
116.05919	0.3
117.07011	0.5
119.08604	2.0
121.10121	2.2
123.11694	0.6
125.09634	2.2
127.03918	2.1
131.08603	1.0
133.10126	1.1
135.11714	1.3
145.02791	0.3
145.04858	0.3
145.10092	0.6
147.11737	0.6
149.13258	0.6
151.03830	0.3
151.11153	0.4
159.11647	0.3
161.13332	0.3
173.13315	0.5
184.07355	0.6
185.04175	0.7
189.11246	1.3
203.05240	0.4
211.09419	2.1
243.08354	1.4
335.26144	0.7
382.18167	0.3
429.17303	3.8
519.29291	8.7
520.29663	0.6
545.34698	0.5
663.44672	0.4
707.39618	100.0
708.29474	0.9
708.39984	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	707.3974
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79496	0.2
52.24058	0.2
53.03947	0.8
55.01871	0.5
55.05511	3.4
57.03432	1.2
57.07067	0.3
61.02922	5.2
67.05502	4.3
69.03426	3.5
69.07056	1.4
71.01340	0.3
71.04987	0.4
73.02910	3.6
79.05488	3.4
81.03409	1.9
81.07045	4.0
83.04987	0.4
83.08613	1.9
85.02901	4.4
85.06552	0.2
87.04489	0.3
91.03960	2.5
91.05473	1.9
93.07044	3.1
95.04979	0.6
95.08607	2.8
97.02896	4.2
97.06530	0.3
97.10161	3.2
99.04453	0.7
101.02363	1.6
101.83728	0.2
103.03914	0.3
105.07023	1.5
106.99474	0.2
107.08610	2.4
109.02895	0.7
109.10150	1.3
111.08109	0.3
115.03969	0.4
115.05505	0.3
117.07024	0.5
119.08585	1.4
121.06505	0.3
121.10135	1.5
123.08070	0.3
123.11689	0.5
125.09642	3.2
125.10527	0.4
127.03911	1.2
131.08575	0.8
133.10117	0.6
135.08083	0.5
135.11707	0.8
143.10625	0.2
145.04976	0.2
145.10114	0.5
147.11668	0.5
149.09604	0.2
149.13251	0.3
153.09201	0.4
158.66013	0.2
159.11612	0.3
161.13243	0.3
171.10159	0.4
173.13307	0.4
184.07410	0.7
185.04245	0.8
187.14883	0.3
189.11223	2.3
203.05203	0.4
211.09389	1.6
213.39148	0.2
227.12791	0.5
243.08423	1.1
245.13902	0.5
267.12070	0.5
293.21249	0.2
325.21127	0.3
335.25906	0.8
429.17261	9.2
430.17645	1.0
519.29303	4.4
520.29535	0.6
707.39575	100.0
708.39923	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	707.4147
Annotation	Tabernaelegantine A
Peak:m/z	Relative Intensity
50.01617	0.2
51.71119	0.1
53.03949	0.2
55.05510	0.5
57.07077	0.2
57.70331	0.1
58.30758	0.1
60.47489	0.1
62.01586	0.3
63.02357	1.0
63.86129	0.1
65.03936	0.1
67.05511	0.7
69.07064	0.6
71.83512	0.1
77.03936	0.2
78.04703	0.8
78.53842	0.1
79.05459	0.7
81.07058	2.0
83.04985	0.8
83.08611	0.6
88.99129	0.1
89.03909	13.9
90.04234	0.3
91.05478	1.7
93.07039	2.7
95.04974	0.4
95.08602	3.4
97.06518	0.3
97.10181	0.3
103.05461	0.6
105.04494	0.3
105.07018	2.5
106.04163	0.8
107.08590	2.8
109.06512	0.2
109.10164	1.5
111.08080	0.3
117.03373	34.9
117.07008	0.4
118.03687	1.1
119.04930	0.2
119.08575	3.4
121.06562	0.2
121.10127	2.4
123.08049	0.2
123.11702	0.7
124.05198	0.3
125.09634	0.3
129.04453	0.3
129.07002	0.2
131.08560	1.5
132.09502	0.1
133.10127	2.3
134.03616	3.0
135.04420	2.0
135.08057	0.2
135.11670	1.1
143.08556	0.5
145.02837	70.6
145.10112	2.3
146.03177	2.4
147.04459	0.1
147.11678	1.6
148.12030	0.2
149.05971	11.4
149.13251	0.8
150.06302	0.4
153.09077	0.2
157.10118	0.5
158.06038	0.4
159.11700	1.8
161.09705	0.3
161.13239	1.6
162.03110	0.3
163.03896	0.6
163.11035	0.2
163.14827	0.9
171.11708	0.5
173.13228	1.0
175.14796	1.0
177.05458	100.0
177.16310	1.0
178.05789	3.7
183.11603	0.2
185.13300	0.3
186.05495	2.1
187.05910	0.2
187.14806	2.4
188.15067	0.2
189.16365	2.4
191.14284	0.6
191.17934	0.5
195.06490	0.4
197.13275	0.2
199.14792	0.7
201.16371	3.4
202.16698	0.2
203.14333	0.2
203.17932	1.3
205.15831	0.8
207.17343	0.2
211.14815	0.2
213.16331	1.3
215.17970	1.1
217.15834	0.8
217.19508	0.5
219.13763	0.4
219.17426	1.4
221.15349	0.2
229.19406	0.2
231.17354	0.2
233.15219	0.2
233.19017	0.4
235.16872	0.9
241.19475	0.2
243.20813	0.2
247.16856	0.5
261.18430	0.3
267.21002	0.5
279.20895	0.2
289.21661	0.1
349.28778	0.2
357.27579	0.2
389.31830	0.6
395.29333	0.2
407.33060	3.2
408.33313	0.4
409.34409	0.2
425.34006	0.5
435.32623	0.9
453.33746	2.4
454.33914	0.3
485.36270	0.3
707.41577	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35767	0.3
55.05510	0.5
63.02374	0.3
67.05491	0.9
69.07076	0.5
69.21410	1.4
69.21828	1.0
75.39089	0.3
78.04704	0.4
79.05486	1.0
81.07056	2.3
83.04983	0.8
83.08618	0.4
89.03913	9.7
91.05482	1.0
93.07047	1.7
95.08605	2.3
103.05490	0.7
105.07042	2.4
106.04164	0.6
107.08574	2.3
109.10148	1.2
117.03367	25.5
118.03693	0.7
119.08567	2.6
121.10144	2.3
123.11697	0.5
126.67738	0.3
131.08536	0.7
133.10136	2.1
134.03587	1.8
135.04410	1.6
135.11656	1.2
143.08557	0.3
145.02837	54.3
145.10117	1.5
146.03235	1.8
147.11693	1.1
149.05960	7.1
149.13248	1.0
150.06281	0.5
157.10136	0.4
158.06062	0.5
159.11731	1.7
161.13243	1.4
163.03922	0.5
163.14862	0.8
169.10095	0.4
171.11656	0.5
173.13316	0.9
175.14827	1.9
177.05460	100.0
177.16353	1.4
178.05812	4.0
185.31242	0.3
186.05585	1.9
187.14825	1.7
189.16350	1.3
191.14262	0.5
191.17924	0.5
199.14824	0.7
201.16341	1.9
203.18001	1.3
205.15866	0.7
213.16356	2.0
215.17966	0.8
217.15894	0.7
217.19498	0.7
219.17410	1.2
231.17516	0.3
241.19620	0.6
247.17004	0.3
259.16898	0.6
267.21014	0.5
389.32007	0.5
395.29138	0.5
407.33160	1.9
409.34601	1.9
425.34177	2.7
435.32889	0.6
453.33618	3.0
454.33835	0.6
485.35925	2.4
595.45819	0.4
707.42896	1.8
708.43597	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31046	0.4
51.36813	0.3
53.03944	0.9
57.01750	0.3
61.02929	6.8
65.03931	1.5
65.89125	0.4
67.05503	0.7
68.56203	0.4
69.03438	0.5
70.00680	0.4
78.04700	1.1
79.05489	1.9
81.03411	2.2
81.07064	1.2
85.02890	1.5
89.81791	0.3
91.05478	1.0
93.03403	0.7
93.07045	1.0
95.04967	3.8
97.02902	1.1
105.03341	0.6
105.07051	0.9
106.04166	1.3
107.04953	2.0
107.08590	0.6
109.02847	0.9
109.06525	0.8
110.03652	0.7
111.04469	0.6
121.02870	18.7
121.06494	1.7
121.10188	0.6
123.04427	6.6
124.05234	2.2
125.05973	1.0
127.03919	1.0
131.04964	0.8
134.03610	0.6
137.02301	0.6
137.05978	2.8
139.03896	3.3
139.07526	1.6
140.04668	0.9
143.13745	0.4
147.04376	0.7
149.05992	1.4
149.09636	0.4
151.03934	1.5
151.07504	0.7
152.04678	1.2
153.01810	1.0
153.05449	1.3
153.09161	0.5
155.07002	1.1
159.24591	0.3
161.05998	0.5
163.03973	0.8
163.07536	1.3
163.11270	0.4
167.07037	100.0
168.07387	3.2
169.08640	0.6
174.26042	0.3
175.07513	0.4
177.05470	1.7
179.07080	0.4
181.04921	0.9
181.08585	0.7
183.06526	3.3
185.15277	0.3
195.06491	0.9
202.12901	0.3
203.06999	0.5
209.08095	5.7
211.09544	0.9
227.09140	23.5
227.12798	0.8
228.09616	0.9
240.07745	0.5
253.08626	0.9
265.07022	2.6
267.10034	0.4
271.09656	1.0
283.07953	3.3
285.07651	0.5
299.09109	0.5
299.12619	0.6
313.10538	0.7
327.12317	1.4
341.13770	0.4
359.14874	9.6
360.15546	0.6
371.14923	0.7
416.98572	0.4
708.37830	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.1
55.01869	7.6
55.05520	7.1
55.74576	1.0
57.03431	4.2
57.07052	1.5
59.04999	1.2
67.05502	10.4
67.85836	1.0
69.03429	13.4
69.05889	9.1
69.07069	8.1
71.04992	5.2
73.02927	1.1
79.05499	18.7
81.03420	23.4
81.07057	17.2
83.04974	8.8
83.08612	2.4
85.02896	3.5
85.06544	3.1
90.05578	1.7
91.05481	16.2
93.03419	1.9
93.06465	1.3
93.07049	24.0
94.04233	1.7
95.04977	11.5
95.08604	9.0
97.02881	5.0
97.06530	11.2
99.04463	6.6
103.05463	12.8
104.24503	0.9
105.04541	1.3
105.07030	34.0
106.07334	1.1
107.04960	8.0
107.08597	19.3
109.02875	9.5
109.06521	7.8
109.10143	9.7
111.04449	1.4
111.08098	4.3
113.05962	1.2
115.05453	17.0
116.03484	2.0
117.07033	4.9
119.04948	4.5
119.08591	9.9
121.06507	7.4
121.10143	12.3
122.03651	3.4
123.04429	2.5
123.08063	5.1
123.11697	2.2
125.05987	11.5
125.09643	2.1
127.03912	5.6
128.06229	1.9
129.06995	3.4
131.04938	9.3
131.08551	3.8
133.06493	16.0
133.10115	8.1
135.04436	2.2
135.08076	4.8
135.11710	6.4
137.05977	57.7
137.09602	10.3
138.06296	1.8
139.11169	1.8
143.03384	1.6
143.04936	3.7
143.07071	5.3
143.08569	2.2
145.06503	5.3
145.10155	7.8
146.10416	1.2
147.04379	2.1
147.08031	2.6
147.11667	2.1
148.05188	3.6
149.05986	7.1
149.09605	7.2
151.03914	17.0
151.04990	1.4
151.07535	31.9
151.11113	1.2
152.07877	1.7
153.01826	20.4
153.05502	2.4
153.06940	2.1
153.09094	1.2
154.02164	4.5
155.08690	1.2
157.06425	1.6
157.10187	1.2
159.04469	1.2
159.08037	2.6
160.05263	1.3
161.05977	64.9
161.09631	5.0
162.06325	2.4
163.07538	15.8
163.11183	16.6
164.08299	5.7
165.07050	1.7
165.09137	16.5
167.07101	1.4
167.08565	2.6
167.10686	4.6
169.06479	1.4
169.08652	7.8
169.09941	1.7
171.08099	2.4
173.06009	4.4
173.09648	2.8
175.07558	4.3
175.11201	3.3
177.05569	1.8
177.09106	1.7
178.07797	1.9
179.08580	5.9
179.10684	5.4
181.06522	3.0
181.10178	1.5
181.12219	1.8
183.08066	2.2
183.10213	5.3
184.07326	1.2
185.06018	3.1
187.07487	5.0
189.09084	4.2
191.07019	1.3
191.10695	5.7
193.12302	3.4
195.08081	3.9
195.11618	1.2
196.08827	1.6
197.06032	1.6
197.09709	2.6
197.11761	1.4
198.06763	1.5
199.07544	8.0
201.09154	3.8
202.10748	3.4
203.06909	1.5
203.10654	3.2
206.04558	2.2
207.08067	8.6
207.10187	3.5
209.09787	2.2
209.11647	2.3
211.07539	7.1
211.13368	4.5
213.09140	6.8
215.10460	1.8
220.11882	1.3
221.09668	2.3
223.07565	2.0
223.16989	4.2
224.08282	7.3
224.17351	2.2
225.09093	11.0
225.11246	4.1
226.09605	1.3
227.06979	2.8
227.10645	4.2
227.12828	3.5
229.08559	2.1
229.12334	1.5
233.09599	1.6
234.06776	1.1
235.07538	18.3
236.08134	2.1
237.09131	2.9
237.47145	1.2
238.09785	1.8
239.10652	9.8
239.12741	1.8
241.08641	2.2
241.12184	3.1
241.17972	2.9
242.09364	1.9
242.18298	1.3
243.10149	1.8
243.18150	1.1
249.09128	2.2
250.10019	1.4
251.10649	3.0
252.07834	4.4
253.08591	5.8
253.12245	2.0
255.10205	2.2
256.07275	1.1
257.11777	3.3
261.09027	1.5
263.10690	2.5
265.12189	2.6
267.10159	18.8
267.15967	4.6
268.10397	1.5
269.08224	1.3
269.11557	1.6
270.08737	1.7
273.11078	1.5
275.10480	1.7
281.11725	2.4
281.15231	1.1
283.09631	2.2
283.15482	4.4
285.11200	100.0
286.11670	5.7
287.12744	6.2
289.08075	1.1
291.10300	1.3
291.13708	1.6
295.09598	2.2
299.09937	1.1
304.10733	1.4
305.11639	3.6
307.09781	1.3
309.11191	5.5
309.14651	1.6
311.12762	2.8
317.11615	1.5
319.13269	3.1
320.10352	1.7
321.11157	1.7
323.12778	9.0
323.16403	2.4
327.15759	1.4
328.13885	2.1
329.13943	3.0
331.13351	1.6
333.14694	3.6
335.12744	4.2
337.10602	1.7
337.14368	15.7
349.14377	2.3
351.16077	10.9
352.16318	1.3
361.14273	1.8
364.15875	1.5
369.16971	13.9
370.17331	1.6
373.14951	1.5
375.15927	4.0
377.13440	1.9
377.17609	4.3
379.15521	2.9
383.22165	2.3
387.17435	1.5
393.12778	1.7
393.17154	1.6
397.16379	3.9
415.19281	2.6
417.16776	2.1
423.17761	1.3
429.20450	2.4
431.22775	1.4
433.20145	5.5
435.18054	4.2
439.18854	1.9
447.21707	5.0
447.27032	1.5
451.21802	1.5
457.20032	5.2
457.25952	3.8
465.22720	3.8
467.24249	4.1
475.21045	18.4
475.26999	9.6
476.21390	3.0
476.27347	2.0
493.22156	47.9
493.28104	3.5
494.22379	6.4
511.16199	2.0
511.23178	29.4
511.29877	2.5
512.23407	4.7
517.22101	2.2
535.23120	4.5
559.23077	1.8
601.23926	2.5
619.25012	2.9
637.26611	1.9
655.27332	3.4
709.37653	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49459	0.3
53.03934	0.7
55.01871	2.9
55.05496	0.8
57.03423	0.9
65.03928	0.6
67.01855	0.3
67.05512	2.1
69.03429	1.7
69.07056	0.6
70.46822	0.2
70.47137	0.4
71.04984	0.5
77.03936	0.2
79.05492	4.3
81.03426	2.7
81.07056	2.3
83.04976	0.9
83.08632	1.2
85.02897	1.0
85.06543	0.4
91.05472	3.6
93.03418	0.4
93.07043	1.9
94.04179	0.6
95.04972	2.2
95.08610	1.0
97.02893	0.5
97.06524	0.6
97.10151	0.5
99.04422	0.3
103.05443	1.5
105.07024	10.6
107.04952	2.1
107.08585	1.5
109.02881	0.4
109.06498	1.1
109.10141	0.6
111.04459	0.6
111.08078	0.7
113.05994	0.2
113.36476	0.2
115.04640	0.5
115.05448	10.4
116.05756	0.3
117.07021	0.7
119.08595	1.2
121.02880	0.5
121.06485	0.5
121.10152	1.1
122.03603	0.8
123.04432	0.5
123.08041	0.3
125.06080	0.4
125.09650	0.4
127.03883	0.3
129.07001	0.5
131.04904	0.5
131.08549	0.6
133.06496	5.9
133.10129	0.6
135.04399	1.2
135.08076	0.3
135.11691	0.9
137.05972	17.7
137.09555	0.5
138.06270	0.4
140.74648	0.2
141.07001	0.2
143.04926	2.2
145.06454	0.4
145.10126	0.8
147.08044	0.3
147.11685	0.7
149.05951	0.5
149.09596	0.7
150.06741	0.5
151.03908	9.8
151.04964	0.4
152.04308	0.3
153.01810	1.7
153.05473	0.6
153.07024	0.2
154.02174	0.4
157.10155	0.5
160.05240	0.5
161.05972	41.9
162.06334	1.5
163.07542	0.7
163.11162	0.7
165.07085	0.3
165.09088	0.3
167.08621	0.4
169.08633	0.2
169.10265	0.2
173.09616	0.6
175.07578	0.9
175.11098	0.4
178.07730	1.2
179.08559	4.2
180.08984	0.3
181.06480	0.6
181.10106	0.3
181.12135	0.3
182.07230	0.8
183.08090	0.5
185.05962	0.2
191.10616	0.5
193.10170	0.5
193.12250	1.3
195.08058	0.3
196.08809	1.6
197.09615	1.4
199.07484	0.3
203.07053	0.4
206.07161	0.3
207.08035	5.2
208.08655	0.4
209.06047	0.3
209.09840	0.3
209.11760	0.6
210.06732	0.7
211.07530	0.9
211.11322	0.4
211.13284	2.0
221.09615	0.7
223.16850	0.4
224.08310	4.6
225.09088	4.3
226.09445	0.3
227.06963	0.6
227.12846	0.5
229.12283	0.3
235.07536	11.0
236.07893	1.1
237.05498	0.3
238.06297	0.4
239.07082	0.3
239.10664	5.5
240.11137	0.3
241.17975	0.3
242.09416	0.6
249.09171	1.1
251.06744	0.2
252.07779	2.7
253.08531	2.8
254.09277	0.3
255.06534	0.8
256.07272	0.7
257.11624	0.9
264.12015	0.2
267.10162	14.4
267.15900	1.2
268.10568	1.1
270.08771	1.5
283.15381	4.0
285.11194	100.0
286.11548	8.7
301.16312	0.3
475.26785	1.0
493.27942	2.9
494.28125	0.5
511.29004	0.7
535.58612	0.2
630.71570	0.3
649.40118	0.2
734.97626	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.3802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.5
54.61127	0.8
55.01872	20.1
55.05511	42.5
56.00070	0.8
57.03438	33.6
57.07066	3.4
59.04982	1.3
60.02138	0.8
60.07202	0.9
61.02925	8.5
65.03947	4.6
67.05505	56.0
69.03433	11.5
69.07065	15.7
70.00043	0.8
70.12850	0.7
71.01348	2.2
71.04992	8.0
72.87399	0.7
73.02913	6.4
73.06564	1.1
77.03919	1.3
79.05493	54.8
80.06274	1.6
80.78481	1.0
81.03417	93.3
81.07056	52.4
82.03750	1.6
82.04179	5.8
82.07381	1.3
83.04983	30.3
83.08618	34.5
84.02094	2.1
85.02904	32.3
85.06536	4.7
91.03965	3.1
91.05480	54.1
92.05804	1.8
93.07043	38.9
94.04188	1.4
95.04970	46.9
95.08608	19.7
97.02888	11.4
97.06527	12.4
97.10166	19.7
98.07312	8.6
99.04449	1.7
99.08096	3.0
101.06063	1.2
101.09618	1.2
103.03918	0.8
103.05447	1.9
103.12777	0.7
105.04523	1.4
105.07030	35.2
107.04968	15.4
107.08593	21.7
109.02864	2.3
109.06528	10.0
109.10146	14.4
110.07339	1.1
111.04443	5.9
111.08077	18.6
111.08841	1.3
113.06010	3.9
115.03937	1.0
115.05448	2.7
116.04713	15.3
117.05544	1.0
117.07020	7.6
119.04942	1.5
119.08583	32.1
120.09411	0.8
121.06466	6.6
121.10143	18.8
122.07271	0.9
123.04404	1.0
123.08086	8.3
123.11722	4.4
125.09631	21.3
127.03945	2.1
127.11160	1.5
128.06236	1.2
129.05486	39.1
129.06972	15.6
130.07790	1.0
131.04942	1.1
131.08565	18.5
133.06451	3.9
133.10124	20.5
134.10442	1.2
135.04384	1.1
135.08069	4.0
135.11679	8.2
136.08820	1.7
137.06029	2.3
137.09595	4.3
141.06932	1.0
142.07774	3.7
143.07027	6.7
143.10683	2.3
145.05005	1.4
145.06459	1.2
145.10127	7.5
147.04431	1.0
147.08072	7.2
147.11673	22.9
147.12856	1.2
149.09615	14.4
151.07532	1.8
151.11183	2.3
153.09100	2.3
153.12732	4.0
155.08618	1.1
157.08624	16.0
157.10136	22.1
158.05725	2.1
159.11720	1.2
161.09615	1.2
163.03922	1.1
163.07578	0.9
163.11168	9.8
164.11929	1.3
165.12749	5.5
167.06970	1.2
167.10739	0.9
171.06506	3.0
171.10162	6.0
173.09636	2.0
173.11763	4.4
174.10376	0.9
175.11191	21.6
175.12639	1.6
175.14793	0.8
176.11481	1.2
181.12265	3.6
185.08118	1.5
185.11705	1.7
189.11234	9.6
189.12691	1.6
191.10677	4.1
193.12245	79.4
194.12602	3.4
199.09706	2.3
199.13295	16.9
200.14029	3.0
201.14835	1.4
207.13828	2.2
209.11707	10.3
210.12511	1.6
211.13290	100.0
212.13664	3.5
217.76373	0.8
223.13228	0.9
227.12744	14.8
228.13362	0.9
228.81763	1.2
229.14336	4.8
247.13313	2.9
249.14894	2.3
255.15936	3.1
265.14398	1.3
267.15906	31.6
268.16446	1.8
269.17517	1.1
271.13364	1.0
279.18518	1.0
283.15387	15.5
283.18701	1.8
284.16055	2.5
285.16956	71.6
286.17371	2.7
301.16452	81.4
302.16742	4.6
311.18600	1.2
311.22009	1.1
339.17987	3.4
341.13992	1.1
374.77234	0.8
382.27176	1.5
385.23782	1.1
409.25952	3.8
410.26514	1.2
427.26694	2.4
439.26978	11.4
458.26727	1.1
459.27014	4.0
475.26877	2.8
476.27548	4.1
477.28464	6.4
493.28055	19.3
494.28540	6.6
511.29034	63.1
512.29468	6.3
690.78271	0.9
697.28619	0.9
709.37408	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	708.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.0
55.01859	1.6
55.05518	6.5
57.03437	10.7
57.07082	0.9
60.12349	0.7
61.02935	1.0
67.05502	29.3
67.05865	1.5
68.05822	0.9
69.03425	2.1
69.07065	9.3
69.11472	3.2
69.11895	2.8
71.01359	0.8
71.04990	3.3
73.45332	0.6
79.05493	20.4
81.03414	49.2
81.07054	37.7
82.07390	1.0
83.04990	4.4
83.08617	13.5
85.02916	0.9
85.06516	1.7
91.05476	15.8
93.07042	27.8
95.04965	15.1
95.08607	10.6
97.02869	1.3
97.06539	5.4
97.10147	1.5
99.08075	1.8
103.05396	0.8
105.04532	0.7
105.07022	8.9
107.04967	3.6
107.08597	15.5
109.06493	2.7
109.10172	3.1
111.04449	1.9
111.08083	7.2
117.07015	3.8
119.04944	1.0
119.08575	7.1
121.06509	2.1
121.10143	10.6
123.11710	1.1
125.09620	1.1
129.06976	5.3
131.08556	7.3
133.06462	1.3
133.10135	5.5
135.08046	1.3
135.11702	3.7
137.05992	0.9
137.09637	1.0
139.11171	1.0
142.07819	0.8
147.08058	1.7
147.11673	5.5
149.09622	3.7
149.13243	12.9
150.13635	0.9
155.08545	0.8
157.10104	6.6
159.11690	6.6
163.11115	0.7
165.12798	1.1
175.11191	4.7
177.12775	2.8
193.12251	13.5
195.13834	4.0
211.13341	1.5
249.14888	1.4
261.77206	0.7
267.15903	52.0
268.16241	3.0
269.17465	57.9
270.17795	3.1
343.23004	0.8
369.24194	1.0
417.26599	1.3
435.27393	3.1
435.95764	0.8
443.27899	3.1
461.28955	100.0
462.29361	12.9
479.30103	2.2
503.29880	1.1
564.37061	0.8
703.13721	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3762
Annotation	CHEBI:68911
Peak:m/z	Relative Intensity
51.34884	0.7
62.04042	0.8
68.23067	0.7
69.11318	6.7
75.68254	0.6
76.08667	0.7
79.05498	0.9
89.15630	0.7
91.05463	1.0
96.01892	0.9
98.23326	1.4
103.05475	0.8
105.07047	0.8
107.04919	3.6
108.05257	0.9
109.02810	0.7
123.04311	1.2
137.05963	2.1
151.03886	1.6
153.01831	5.2
154.02177	1.7
158.62045	0.7
163.07507	2.3
165.09000	2.6
167.07039	2.9
181.04977	1.1
181.08429	1.0
182.09160	0.8
187.07396	0.9
191.10405	1.4
193.08560	1.3
195.10162	6.0
196.10553	2.8
204.08826	0.8
205.04659	0.8
207.09975	2.0
219.13600	1.6
233.15149	1.0
235.09476	2.7
235.13087	3.2
245.11412	3.8
263.12421	5.2
281.13675	1.1
305.17737	0.8
305.20767	3.3
319.22369	2.5
321.20471	3.1
329.21051	1.0
330.21512	1.5
345.20218	1.0
346.21561	0.7
347.21921	1.6
349.19812	4.4
363.21399	1.5
415.24475	1.2
429.25998	0.9
484.31494	16.4
485.32605	3.4
500.30936	11.3
501.31369	6.4
510.29547	2.1
511.30038	2.0
528.30487	14.8
529.31152	8.4
546.31586	3.0
547.31970	3.5
599.14117	1.4
645.39294	0.8
647.37341	4.5
663.37262	5.4
673.35333	1.1
691.36548	41.3
692.36829	8.5
709.37573	100.0
710.37897	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	709.3764
Annotation	Unknow
Peak:m/z	Relative Intensity
61.97414	0.4
64.81975	0.4
67.05488	0.4
69.15083	0.5
69.15411	4.1
79.05485	0.5
80.02369	0.6
81.03431	0.6
81.07068	0.4
84.04483	0.4
91.05463	0.6
93.07040	0.6
109.02657	0.5
109.10168	0.5
110.03430	0.9
114.09235	0.5
115.44235	0.4
122.03422	0.6
123.04198	1.3
124.39015	0.4
131.04985	0.5
135.04344	0.4
137.05997	1.3
149.09502	0.5
151.07309	0.4
152.88573	0.4
161.05997	0.6
163.07417	0.5
165.08894	2.4
167.07060	0.7
177.08896	0.5
179.10471	0.6
181.12074	0.8
187.07376	0.6
194.09285	0.5
196.10663	0.6
205.12015	0.9
207.09961	1.1
209.11502	2.5
219.13612	1.1
223.13058	0.9
233.15211	1.3
235.09506	0.7
235.13039	2.8
245.11397	3.5
246.12114	0.5
249.14584	1.1
250.65172	0.5
263.12497	4.7
267.15906	0.6
277.13986	2.1
288.16861	0.4
291.15793	0.6
305.17386	0.8
305.20853	4.5
315.19235	0.9
316.20187	0.6
319.22412	1.4
321.20441	3.6
335.21918	0.8
345.20432	1.8
346.20816	0.7
347.21793	2.5
349.19882	4.6
350.20206	0.5
356.19629	0.5
363.21460	1.8
387.21317	3.4
415.24460	0.7
460.59549	0.4
483.24103	0.5
483.30881	1.0
484.31546	19.6
485.32220	5.8
500.31015	14.7
500.38086	0.9
501.31619	6.5
511.30151	2.0
513.28467	0.8
528.30585	14.0
529.31293	7.3
530.31580	0.7
533.63226	0.5
546.31262	1.1
547.31409	2.4
591.75995	0.5
642.84741	0.5
647.37555	12.7
648.37939	1.5
663.37042	12.2
664.37427	2.0
673.34662	0.6
691.36560	45.9
692.36920	7.8
709.37573	100.0
710.37897	17.0
713.73096	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	0.2
51.02359	0.5
53.00306	0.2
53.03942	0.1
55.01868	0.2
69.03428	2.4
71.40874	0.1
79.01849	3.3
81.03413	0.8
85.02916	0.1
87.00819	0.2
97.02878	0.7
99.04452	0.2
107.01339	0.6
109.02863	0.5
109.54613	0.1
123.00877	0.1
125.02352	2.1
127.03913	4.4
139.03912	0.2
143.03398	4.4
147.04439	0.1
153.01820	100.0
153.02861	4.1
154.02148	2.5
154.03368	0.2
163.03922	0.2
167.07042	0.3
171.02852	0.3
179.03395	0.1
181.04933	0.2
191.03445	0.6
195.02802	0.6
209.04457	0.2
213.03951	1.1
233.04390	0.2
237.03902	1.4
261.03885	0.4
266.61691	0.1
271.06064	0.1
279.01941	0.1
279.04987	2.1
297.06024	2.0
315.07196	0.1
449.07083	3.5
450.07513	0.3
467.08185	16.9
468.08606	1.5
522.60028	0.1
574.19916	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	710.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	0.2
51.02367	0.5
53.00319	0.1
55.01859	0.2
66.94153	0.1
68.08825	0.1
68.99810	0.1
69.03426	2.6
69.64046	0.4
69.64456	0.2
79.01847	3.6
81.03430	0.8
87.00813	0.1
95.05006	0.1
97.02888	0.7
99.04411	0.1
105.08043	0.1
107.01317	0.9
109.02885	0.5
121.07932	0.1
123.00793	0.3
123.04440	0.1
125.02349	2.3
127.03909	4.3
137.06003	0.1
139.03903	0.2
143.03391	5.3
144.03734	0.1
153.01819	100.0
153.02858	4.1
154.02156	2.9
154.03232	0.1
163.03868	0.3
171.02922	0.3
191.03429	0.4
193.04924	0.1
195.02779	0.5
196.67473	0.1
205.04927	0.1
209.04413	0.3
213.03915	1.2
219.02774	0.2
237.03912	1.7
261.03903	0.3
271.05984	0.2
279.04968	1.8
280.05380	0.1
297.06042	1.9
390.44339	0.1
449.07074	3.2
450.07526	0.2
467.08176	16.0
468.08499	1.2
512.85986	0.1
574.13385	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	710.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61469	0.7
53.03945	0.9
55.01868	0.8
56.24649	0.4
65.03946	1.7
67.05507	2.0
69.03421	1.4
69.79221	1.9
71.20930	0.4
73.02924	0.4
76.86288	0.4
77.03948	0.6
81.03411	4.6
85.02892	1.9
89.03945	1.0
91.05465	1.3
93.03400	0.6
93.07037	0.6
95.01349	1.0
95.04966	1.8
97.02914	0.6
99.04441	0.6
103.05456	0.9
105.04482	0.6
107.04951	0.9
108.02059	2.2
109.02880	2.4
110.03659	1.5
111.04440	1.2
117.03388	1.3
119.04958	1.7
121.06482	0.8
123.04410	1.4
125.05983	8.6
127.03867	1.2
131.04988	0.5
133.02870	1.1
134.03601	0.7
135.04443	2.2
135.05455	0.4
137.05966	5.0
139.03896	2.1
139.52502	0.4
141.05478	1.5
147.04431	3.1
149.05971	7.4
150.06725	1.0
151.03902	100.0
151.04996	8.2
152.04259	3.2
153.01871	3.8
153.05463	13.3
153.06763	0.6
154.06252	5.4
161.05977	1.6
162.06697	0.7
163.07568	0.8
165.05522	0.8
165.06915	0.9
167.07094	0.6
168.05695	0.7
169.04970	0.7
177.05463	1.2
179.07010	0.9
181.06352	0.8
183.06595	0.6
183.08012	2.5
185.08076	28.2
186.08487	1.2
189.03822	0.5
189.63744	0.4
193.04955	2.9
193.06538	0.6
193.08379	0.4
196.05183	1.9
197.05952	0.8
200.08331	0.5
211.07570	5.7
212.08276	0.7
213.05446	1.8
225.05396	0.6
227.07014	1.0
228.07759	2.2
239.07091	2.2
240.07811	1.5
241.04863	0.7
243.10153	1.4
251.06941	0.6
253.04842	0.6
256.07251	1.9
267.06436	0.7
268.07388	0.6
271.09573	1.4
275.09161	1.6
279.06586	0.5
283.09543	0.7
295.08099	1.1
299.09113	76.9
300.06281	0.7
300.09442	5.0
300.32858	0.5
303.08420	0.7
311.09116	6.6
313.98242	0.4
315.08569	2.7
317.10101	2.3
329.10168	14.3
330.10431	1.2
347.11261	4.4
359.11203	0.5
401.12234	0.7
443.13513	2.1
461.14380	4.9
462.14307	0.6
468.85355	0.5
473.14505	0.8
491.15433	0.8
509.16177	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.4
55.01871	3.0
55.05511	12.5
57.03437	12.2
61.01223	0.8
61.02911	1.3
65.03953	1.8
67.05503	17.1
69.03425	4.9
69.07063	7.0
71.05057	4.3
73.02897	1.3
79.05493	20.6
81.03416	87.2
81.07056	22.3
82.03773	1.8
83.04973	9.4
83.08620	20.8
85.02904	13.7
85.06526	2.1
91.05475	27.3
93.07044	16.6
95.04964	29.2
95.08601	8.5
97.02888	4.2
97.06534	3.1
97.10160	7.9
99.08088	1.6
103.05466	3.0
105.07023	20.2
107.04948	7.3
107.08601	7.8
109.06525	5.4
109.10167	4.4
111.04438	2.5
111.08085	8.3
113.06019	1.5
115.05440	2.2
115.08456	1.2
117.07014	3.7
119.04961	1.5
119.08569	14.6
120.08981	1.6
121.06502	6.1
121.10146	10.1
123.04457	1.2
123.08062	4.3
123.11713	1.2
125.09634	3.7
129.06993	9.0
131.04942	3.2
131.08566	11.0
133.06503	3.9
133.10107	10.3
135.08023	3.6
137.06004	3.8
137.09619	2.0
138.05408	0.9
142.07779	2.6
143.08553	1.3
145.06494	4.2
145.10120	3.6
147.04393	1.2
147.08061	3.5
147.11679	9.9
149.09642	8.1
151.07593	2.0
155.08488	1.1
157.10094	13.8
159.08052	1.5
159.11671	1.6
161.05965	1.6
163.07590	2.0
163.11205	1.9
164.08350	2.4
165.09088	1.0
165.12773	2.8
167.07043	1.7
169.10060	0.9
171.11575	1.0
173.09692	1.0
175.11205	12.0
181.08597	1.9
184.07323	1.2
189.11330	1.5
193.12245	35.2
195.11713	1.2
205.12199	1.2
211.13268	18.4
212.13728	1.5
213.12743	1.2
227.12671	1.3
249.14885	3.0
255.13728	1.7
267.15897	100.0
268.16232	5.0
273.14844	4.7
285.16977	20.0
286.17300	1.1
325.10678	5.2
339.33276	1.0
349.21701	3.6
367.22742	10.3
385.23767	11.1
386.24149	1.6
403.24747	3.0
415.25143	1.0
433.25748	11.6
441.26471	6.1
459.27377	60.7
460.27628	6.7
460.98929	1.0
462.68427	1.1
477.28458	36.0
478.29367	4.4
711.36707	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	710.4469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.2
54.20767	1.2
55.05514	15.7
57.03439	11.3
57.07071	3.1
65.03941	2.5
67.05503	56.8
68.05837	1.5
69.03444	2.9
69.07069	12.3
69.09093	7.2
69.09515	3.7
71.04987	5.3
77.03941	1.3
79.05489	32.9
81.03417	4.4
81.06567	2.1
81.07055	42.1
82.07384	1.6
83.04970	3.2
83.08623	5.9
85.02872	1.7
85.06551	2.0
91.05476	80.8
92.05815	2.4
93.07044	30.8
94.07373	1.5
95.04966	5.9
95.08608	31.3
96.08999	1.3
97.06532	3.8
97.10160	2.9
105.07027	37.2
106.07346	2.4
107.04951	1.5
107.08601	17.1
109.06498	2.9
109.10149	16.2
117.07031	5.6
119.08569	11.6
121.06510	1.5
121.10136	15.6
123.08028	1.9
123.11692	4.5
128.06227	3.4
129.06993	1.7
131.08551	10.9
133.10124	81.9
134.10475	3.7
135.08047	1.7
135.11700	9.9
137.09599	2.1
143.08539	4.7
145.10098	6.1
147.11682	4.4
149.09633	1.6
149.13243	4.0
151.11179	5.3
153.05515	1.3
155.10619	1.5
157.10115	1.8
159.08043	1.9
159.11700	4.2
161.09622	13.7
161.13211	2.8
163.11206	2.1
163.14833	1.2
173.11775	1.3
173.13251	2.0
175.14781	1.8
179.10706	2.2
187.14728	1.5
197.11728	2.9
205.18872	1.1
243.21086	2.5
251.12677	1.9
253.14342	55.6
254.14670	4.2
261.22122	4.2
267.15860	1.4
317.24774	3.1
335.25775	100.0
336.26068	9.3
431.75104	1.4
490.36002	3.6
513.35730	64.2
514.36115	13.8
548.39838	1.6
595.46899	4.2
710.40765	7.2
711.42303	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	711.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.5
55.01859	0.7
55.05530	2.8
57.03444	1.8
58.65346	0.5
61.02923	2.1
61.54976	0.6
65.03946	0.5
67.05508	5.3
67.35440	0.5
68.05832	1.2
69.03435	1.7
69.07066	2.6
69.45710	3.6
71.04988	1.4
73.02887	1.3
79.51284	0.5
81.03417	2.4
81.07052	7.2
82.07394	1.5
82.63506	0.6
83.04974	2.2
83.08614	2.5
85.02914	1.7
85.06554	0.7
86.09715	0.6
91.03964	1.5
91.05479	4.0
92.05812	0.8
93.07057	5.0
94.07411	0.8
95.04983	1.6
95.08599	2.6
97.02883	2.1
97.06512	1.2
97.10172	0.9
98.23283	1.1
99.04417	0.6
101.02368	0.7
105.07014	1.8
106.07308	1.1
107.04985	0.9
107.08568	3.0
108.08894	0.8
109.06497	0.7
109.10162	2.0
111.04451	1.3
117.06998	1.3
119.08582	1.8
121.10146	2.6
123.11697	0.8
125.09620	0.8
127.03922	0.9
131.04956	0.7
131.08507	1.3
133.10143	2.3
135.08080	0.6
135.11751	1.2
137.06020	1.2
145.06424	0.7
145.10133	1.9
147.08113	0.6
147.11662	0.6
151.03917	1.7
151.07603	0.8
155.69185	0.6
159.11589	1.0
163.11108	1.2
184.07391	0.7
185.04218	1.0
191.10652	0.9
193.12253	0.8
209.11761	2.7
210.12073	0.9
227.12733	1.0
229.14424	0.6
243.08459	1.5
249.10887	1.6
269.17450	1.8
270.17896	1.3
283.15280	0.9
284.15677	0.7
301.09021	2.4
301.16351	1.4
311.14868	0.7
337.97290	0.6
347.14734	0.6
348.78250	0.6
373.11002	1.5
383.16901	1.0
385.18576	1.6
393.14667	0.8
411.19910	3.7
413.18073	3.1
423.27322	0.7
424.27945	0.9
443.19028	0.8
467.18866	3.8
473.20172	4.8
474.20102	1.0
477.28885	0.7
478.28854	2.2
483.17059	1.2
485.17880	0.9
495.29718	0.7
496.29575	3.1
500.12933	0.7
506.68396	0.6
539.20581	1.3
581.28894	2.0
609.28394	0.8
649.38531	0.7
665.30963	1.6
693.30188	2.3
711.29797	100.0
711.39539	15.6
712.29773	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	711.3197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.4
55.01884	2.4
55.05514	4.6
56.05843	0.6
57.03436	4.3
57.07072	1.3
61.02925	5.7
61.33257	0.4
67.05501	7.8
68.05827	1.1
69.03421	4.1
69.07065	2.6
69.33907	3.5
71.01357	0.9
71.04985	1.5
73.02912	4.4
81.03405	3.5
81.07053	6.7
82.07393	0.9
83.01112	1.6
83.04980	2.0
83.08621	3.4
84.94080	0.4
85.02901	7.2
85.06554	1.1
86.09705	0.6
87.04455	0.5
91.03946	3.8
91.05465	3.5
93.07040	6.1
94.07417	0.5
95.01096	1.0
95.04959	1.8
95.08598	3.2
95.16644	0.5
96.01894	0.7
97.02895	5.2
97.06538	1.4
97.10166	1.7
99.04450	1.1
101.02397	2.0
103.03964	0.8
105.07037	2.1
107.04948	1.6
107.08585	4.0
108.08958	0.7
109.02886	1.6
109.06528	1.4
109.10152	3.2
110.10449	0.7
111.04444	1.0
111.08087	1.1
117.05504	1.0
117.07015	1.5
119.08584	1.7
120.08945	0.7
121.06526	0.7
121.10145	2.8
122.10455	0.5
123.04295	0.6
123.08057	0.9
125.09600	1.3
127.03921	1.9
127.11197	0.8
129.05505	3.5
129.06981	0.7
131.08560	1.5
132.08928	0.6
133.10120	1.9
135.11687	2.0
136.12027	0.6
137.05913	0.6
143.07014	0.5
145.04971	1.5
145.10103	1.2
147.11749	0.8
149.13286	1.8
150.13644	0.6
151.03944	0.8
156.03922	0.6
157.08612	0.5
159.11694	0.5
163.11217	1.8
165.05296	0.6
167.03075	0.5
173.09705	0.5
173.11783	0.9
174.12076	0.5
178.51256	0.5
181.04753	1.1
181.12215	0.5
184.03362	0.8
184.07339	1.0
185.04201	9.1
190.66679	0.6
191.10645	0.6
193.12181	0.6
195.06383	0.6
195.13664	0.6
199.05861	0.9
199.13329	1.7
199.38950	0.5
201.03706	4.2
203.05249	1.1
204.42094	0.5
209.11617	1.0
211.13371	0.5
214.39719	0.5
221.11563	0.8
227.05226	0.7
227.12740	0.8
227.49547	0.4
229.14372	2.2
230.14708	1.0
241.06873	1.3
243.08397	6.9
249.10997	2.8
251.12544	0.9
259.07861	1.1
265.14133	0.5
267.15897	1.0
269.17453	3.7
270.17654	2.4
271.97385	0.5
275.12683	1.5
283.15335	1.5
289.14026	0.6
291.15738	1.4
301.08917	19.5
301.16357	0.9
302.09375	0.9
302.16977	0.9
313.08893	0.9
315.10449	6.5
317.08322	0.6
319.15054	1.4
327.10367	3.6
329.12299	0.7
337.16202	0.8
341.12177	1.4
347.14642	2.0
355.09814	0.7
355.13693	1.3
357.15280	1.1
365.15646	2.8
369.15192	2.0
371.16782	1.9
373.11029	10.8
383.16855	2.9
385.18314	11.7
386.18866	0.8
387.12650	2.2
393.15158	1.2
401.14090	1.1
403.24887	1.0
411.20380	1.2
413.13690	0.7
415.15710	1.4
419.24057	0.9
423.27353	1.0
424.27820	3.1
427.11456	0.8
428.16806	0.6
429.17316	5.4
430.17426	0.6
431.24268	1.4
439.19443	2.5
441.17188	0.8
443.19073	0.9
445.20679	0.6
449.25058	1.4
453.20950	1.0
455.18964	3.6
457.20334	2.6
467.18872	17.4
468.19153	1.6
469.20609	2.0
470.21933	2.3
471.22006	1.0
477.24289	0.6
478.28976	0.7
485.19724	1.4
496.29538	1.3
497.19675	6.4
498.20514	4.4
502.20084	0.9
511.21127	3.3
513.26697	1.4
525.23126	1.0
526.19873	1.3
539.20233	6.0
553.23169	2.0
567.24402	2.1
581.29382	19.0
582.29877	4.1
595.25482	1.0
609.28735	6.9
610.29419	2.6
623.30139	1.7
637.31226	2.2
638.17419	0.5
638.31567	0.5
639.29559	1.7
649.31342	1.4
651.29559	2.2
665.31335	3.6
666.32196	2.4
693.30798	4.7
694.31622	3.0
711.31860	100.0
712.32208	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	711.3199
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48431	0.8
53.03941	1.4
55.01860	2.9
55.05512	7.2
57.03432	4.7
57.07064	2.1
59.04977	1.1
61.02921	6.7
67.05501	18.4
67.05862	1.1
68.05821	2.1
69.03429	6.1
69.07071	4.9
69.56531	2.7
69.56931	1.4
71.04975	1.8
73.02909	4.5
73.57809	0.7
79.05488	10.1
80.05821	2.2
81.03407	7.5
81.07052	17.0
82.03756	0.8
82.07371	2.7
83.01138	0.8
83.04971	3.6
83.08594	4.3
83.83681	0.8
85.02913	8.3
86.09698	1.6
87.04481	0.8
91.03944	3.0
91.05476	11.0
93.07040	13.3
94.07381	2.2
95.04939	2.3
95.08610	7.8
96.08987	0.8
97.02892	5.2
97.06513	3.2
97.10157	3.4
98.03202	0.9
98.23222	1.5
99.04459	1.6
99.08102	0.9
101.02368	2.5
105.07026	7.1
107.04968	2.2
107.08595	9.3
108.08907	2.0
109.02871	2.7
109.06499	1.8
109.10160	10.0
110.10489	1.9
111.04431	1.5
111.08070	2.1
117.05487	1.2
117.07005	2.6
119.08594	4.7
120.08912	0.8
121.06484	1.7
121.10136	5.6
122.10492	1.0
123.04330	1.0
123.08076	1.8
123.11692	2.2
125.09585	2.2
127.03892	2.6
129.05492	1.9
129.07016	0.9
131.04907	1.2
131.08554	3.1
133.10135	6.0
135.08043	1.2
135.11691	5.5
136.12068	1.0
137.05971	1.8
137.09589	2.0
143.07008	1.0
144.72327	0.8
145.04959	0.9
145.10106	4.0
146.07164	0.9
147.11679	1.9
149.05991	1.1
149.09598	1.2
149.13229	3.2
150.13605	1.7
151.03900	1.5
151.07506	1.7
151.11169	2.0
157.10075	1.3
159.11642	1.6
163.07616	1.1
163.11150	5.3
173.11707	1.4
173.13129	1.2
177.05417	1.0
178.09818	1.5
181.04675	1.4
184.07361	1.9
185.04193	5.9
191.10588	1.3
191.14394	1.4
193.12242	1.4
195.13782	1.4
199.13356	1.8
201.03712	3.1
204.11234	0.9
209.11703	3.1
227.12746	4.2
228.13174	0.8
229.14311	5.3
230.14703	2.3
241.06860	1.0
243.08446	5.5
249.10956	18.8
251.12540	1.1
253.14372	1.7
254.14723	1.3
259.07846	1.0
265.14499	1.2
267.15714	1.3
269.17426	6.3
270.17776	5.7
275.12656	3.7
283.15433	1.7
284.15860	0.9
285.16925	1.4
289.14017	3.8
301.08951	17.9
301.16476	1.3
305.13553	1.8
315.10587	5.5
327.10452	1.8
327.16718	0.9
339.12256	2.5
341.11975	1.1
347.14584	7.3
355.13687	1.0
357.15170	1.3
365.15848	2.6
369.15182	1.3
371.16599	5.1
373.11084	9.6
374.11588	1.0
383.16714	3.1
385.18335	10.2
387.12692	4.1
393.15045	8.3
394.15372	1.0
401.13763	1.0
415.15753	1.2
423.27454	2.2
424.27780	5.1
429.17224	1.4
431.23987	3.8
439.19681	1.1
443.18869	6.9
446.25766	1.1
450.28705	1.0
457.20419	2.2
464.27094	1.4
467.18820	19.0
468.19620	1.8
478.28680	2.8
485.19266	1.1
495.29211	1.6
496.29819	6.7
498.20563	1.3
526.20105	11.5
527.27679	1.6
539.20721	10.4
540.20776	1.9
553.22565	3.4
554.22668	1.0
567.23950	4.9
568.25049	1.3
581.28461	3.6
582.27142	1.1
609.28735	8.3
610.29395	9.5
611.29059	1.0
623.30432	1.8
639.29834	2.4
649.31653	1.9
651.29474	1.8
653.31921	1.1
665.31036	2.9
666.32135	1.9
693.30688	4.1
711.31683	100.0
712.32117	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	712.4627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.4
55.01871	4.0
55.05264	1.8
55.05513	28.0
57.03439	25.0
57.07076	3.5
61.02917	5.3
65.03955	3.8
67.05505	86.1
68.05839	2.6
69.07069	25.3
71.01356	3.5
71.04993	4.0
75.68919	1.2
79.05492	73.8
81.03427	4.6
81.07057	63.9
83.04992	11.9
83.08622	5.3
85.02914	3.4
85.06545	3.1
91.05478	30.9
93.07047	83.5
94.07356	2.1
95.04942	6.9
95.08607	38.3
97.06522	10.9
97.10179	13.6
99.08091	2.6
105.07027	14.2
107.04964	1.6
107.08593	47.6
109.06509	2.2
109.10164	17.1
111.08108	2.7
117.07011	9.4
119.08572	16.3
121.10139	18.2
123.08088	1.9
123.11696	4.1
125.09607	2.1
131.08554	9.1
133.10141	12.8
135.11699	59.0
137.09633	2.2
137.13309	1.9
143.08566	2.1
145.10120	13.1
147.11705	4.5
149.13264	5.3
153.12755	3.5
159.11694	5.4
161.13271	2.8
163.11156	6.6
163.14830	3.8
173.13252	5.2
175.14818	1.5
175.64188	1.5
181.12222	13.1
187.14818	2.8
229.44376	1.6
243.21112	5.1
253.14355	5.1
255.15909	100.0
256.16293	6.9
261.22086	14.7
317.24768	3.2
335.21689	3.2
335.25775	68.3
336.26068	5.8
515.37299	90.7
516.37720	15.4
533.37811	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	713.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22338	0.3
67.64079	0.4
71.34048	0.5
82.27752	0.3
91.05482	0.3
105.06996	0.4
119.04991	0.4
123.04448	0.6
128.07083	0.3
137.06036	1.4
139.03914	0.3
147.04405	0.4
151.03938	0.5
161.06041	0.5
163.03969	0.5
163.07124	0.3
167.07137	1.0
176.04547	0.5
177.05350	0.7
188.61185	0.3
189.05455	0.3
203.03265	0.4
205.04715	38.2
206.05063	1.8
218.05513	6.1
232.07039	4.3
233.07794	0.4
249.07306	1.6
251.71413	0.3
255.37947	0.4
293.09937	10.1
294.10480	1.1
305.10132	0.7
307.11505	11.9
308.11957	0.7
323.11151	0.4
326.11081	0.3
363.12115	0.5
367.11612	0.6
379.11453	0.5
381.06134	0.4
382.14096	1.0
383.14670	0.4
394.13760	1.0
397.08362	0.3
397.12509	1.8
411.13892	0.5
412.14700	2.8
413.15726	0.7
425.15643	8.4
426.16205	0.9
474.76682	0.4
529.77557	0.4
579.59076	0.4
638.23090	2.5
639.22699	0.4
713.27716	100.0
714.28076	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	713.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95075	0.3
55.05509	0.6
57.03428	0.5
61.02913	0.4
65.03925	0.3
67.05492	0.8
69.03416	0.7
69.07066	0.6
69.80943	0.8
69.81329	0.8
71.04991	0.5
79.05484	0.6
81.03411	1.1
81.07049	1.3
83.08621	0.5
85.02891	0.6
90.44238	0.4
91.05498	1.0
93.07040	1.3
95.04966	0.8
95.08595	0.7
97.10143	0.3
103.05473	0.8
105.07021	1.1
106.89450	0.4
107.04989	0.5
107.08593	1.0
109.06538	0.7
109.10162	0.9
111.00579	0.8
112.01367	0.4
119.04945	0.5
119.08569	0.9
121.10186	0.6
121.93876	0.4
123.04419	0.4
127.03901	0.5
129.07039	0.4
131.04903	0.5
133.10123	0.5
137.05983	2.1
147.04372	0.9
150.36153	0.4
151.03906	1.3
164.08295	0.4
167.07082	0.6
169.04756	1.1
169.10030	0.4
173.06000	0.4
175.03888	0.6
179.07124	0.4
181.12215	0.5
183.04472	0.4
201.05511	0.6
201.09337	0.4
203.10680	0.6
207.06488	1.2
263.09000	0.5
267.11996	2.4
287.24210	0.4
307.09546	1.0
325.10593	2.9
349.16299	0.5
351.13943	0.7
393.15189	0.6
395.16446	0.5
411.16269	5.9
467.18808	0.5
651.27869	2.2
653.25378	1.0
695.26508	1.6
713.27454	100.0
714.27844	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	713.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	5.2
55.01874	2.4
55.05503	6.3
57.03432	3.7
57.07072	2.5
59.05003	2.5
61.02926	3.6
65.03938	3.8
67.05504	16.5
69.03419	8.9
69.07059	3.1
69.34055	1.9
69.70764	7.0
69.71162	3.6
71.04992	4.7
71.71860	2.1
73.02931	2.9
79.05508	10.0
81.03415	15.3
81.07060	15.1
83.04989	3.3
83.08640	2.3
85.02908	8.8
85.06538	6.1
91.05469	20.6
93.07049	17.6
95.04947	9.7
95.08607	38.0
97.02906	7.0
97.06552	4.6
97.10169	2.8
99.04446	3.3
103.05463	8.8
105.07038	16.3
107.04955	8.4
107.08593	14.4
109.02889	6.0
109.06522	8.2
109.10149	7.6
111.04420	2.8
111.08032	2.6
113.05974	2.1
115.03927	2.0
115.05444	8.7
117.07054	4.1
119.04953	9.0
119.08564	15.0
121.06496	4.4
121.10160	12.7
122.03629	2.1
123.04404	3.8
123.08060	12.7
123.11678	3.0
127.03907	9.9
128.06203	2.6
129.06993	4.6
131.04901	5.3
131.08577	5.1
133.06479	8.1
133.10100	9.6
135.04372	4.2
135.08047	4.2
135.11716	5.6
137.05974	30.5
137.09615	7.1
143.08557	3.7
145.06543	4.4
145.10126	6.3
147.04407	12.7
147.08034	5.0
147.11697	8.5
149.06044	13.0
149.09625	36.1
149.13264	2.2
151.03915	24.8
151.05055	3.3
151.07564	8.3
156.09291	2.8
157.06473	4.2
157.10043	3.2
159.08075	4.5
159.11740	4.6
161.05972	77.4
161.13193	5.2
162.06398	5.7
163.03908	3.0
163.07556	15.9
163.11198	5.0
164.08366	11.5
165.05495	3.0
165.09061	7.4
165.12743	3.6
167.07050	6.1
169.06413	2.4
171.11684	5.1
173.06004	2.9
173.09602	2.1
175.03937	18.8
175.07535	22.1
175.11168	2.3
176.04280	2.4
177.05508	17.7
179.08488	2.1
185.04227	3.1
185.06029	3.1
187.07520	2.5
189.09099	2.3
189.12772	16.9
191.07048	9.1
193.04927	7.7
193.08386	2.2
197.09644	2.1
199.07631	2.2
201.05450	2.6
201.11177	2.0
203.07016	50.6
203.08853	2.9
205.08580	2.6
207.06509	30.1
207.08228	3.7
207.13800	41.6
211.07571	2.5
217.08481	3.1
221.08005	3.2
225.09164	2.6
229.08685	2.5
235.07539	5.5
243.08319	4.1
245.08206	2.8
249.09047	3.3
253.08493	2.8
259.07532	4.1
267.09998	7.3
283.09714	9.2
285.11292	14.2
291.10129	8.9
299.09268	12.0
299.12408	3.5
300.09579	2.4
301.07144	8.2
309.11118	7.8
315.08618	4.3
325.10785	9.5
327.12274	53.5
337.10477	2.7
351.12247	15.1
352.12366	2.4
369.13232	6.4
393.13571	2.4
417.13376	5.6
435.14301	7.4
453.15298	11.4
467.18857	3.8
469.20471	7.2
471.16611	6.3
489.17053	5.0
515.24512	3.8
641.31836	2.4
667.32880	8.4
695.32550	4.2
713.32513	100.0
714.32959	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	713.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	2.4
67.05517	6.2
69.07055	2.1
74.34430	1.8
79.05505	4.3
81.07058	3.2
91.05496	5.3
93.07047	4.4
95.08603	5.0
105.07060	3.7
107.08597	2.3
109.10130	2.2
119.08611	3.1
121.10123	2.7
128.24155	1.7
131.08560	2.5
133.10126	2.1
135.11649	2.3
143.08511	2.6
151.03922	3.6
151.07607	1.9
165.56364	1.9
187.73378	2.1
228.77925	1.9
229.96884	1.8
259.79950	1.6
309.04608	2.1
317.06201	4.4
321.14163	1.8
387.14139	2.8
389.08380	3.4
401.15726	2.1
429.15060	5.5
433.23376	2.0
441.18796	2.3
469.17987	1.9
479.24191	4.7
500.19623	3.0
501.17059	7.4
515.18921	3.1
532.19281	2.5
557.23383	6.4
569.26849	2.7
583.29053	2.6
612.29144	15.3
613.27808	2.0
640.32330	2.2
641.29340	100.0
642.29883	15.7
644.27948	6.5
713.31226	31.5
713.43420	11.8
714.32220	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	713.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86760	0.8
55.01859	1.2
55.05511	1.1
55.95906	0.8
57.03434	3.0
57.84198	0.8
59.04988	1.0
61.02922	5.3
67.05491	7.8
69.03429	3.8
69.07066	1.5
71.01340	0.8
71.04977	1.8
73.02916	3.9
79.05492	5.4
81.03408	4.8
81.07071	7.4
83.08618	1.9
83.67302	0.9
85.02903	5.5
85.06527	1.3
85.91487	0.8
86.80991	0.8
87.04491	0.7
91.03952	3.3
91.05476	5.9
93.07041	3.7
95.05001	1.9
95.08600	2.1
97.02894	4.8
101.02395	2.4
103.03902	1.0
105.07037	3.2
107.08582	4.1
109.02926	0.9
109.10149	0.9
111.08054	0.9
117.07010	1.5
119.08565	2.1
121.10134	3.3
127.03957	1.2
129.06995	1.2
131.08568	1.5
133.10112	3.4
135.11650	1.1
137.05989	0.9
139.04028	0.9
147.11740	0.8
149.09592	1.8
151.03880	1.4
151.07520	1.0
154.69397	0.8
159.11766	1.2
175.11118	1.4
181.04985	0.9
193.12238	2.1
200.00887	1.0
243.08548	2.1
283.15219	3.0
317.06210	1.7
339.17368	0.9
389.08362	2.4
395.14526	1.5
401.15637	2.2
433.23026	1.0
441.18903	1.0
453.20914	7.7
459.16074	1.6
469.19028	2.7
485.17545	1.8
487.18332	1.3
500.20132	2.4
501.16812	1.1
501.23181	10.7
502.23923	1.5
515.18909	1.0
528.19727	3.7
541.20453	1.9
569.23230	1.0
572.84552	1.0
576.71613	0.9
583.28589	1.2
611.28455	4.4
612.28381	1.4
641.29364	1.1
653.29224	1.0
667.31189	5.5
668.31262	1.4
695.29865	1.7
696.31445	1.6
713.36194	100.0
714.36359	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	713.3352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83084	0.4
55.01859	1.3
55.05503	1.5
56.38878	0.4
57.03429	2.8
57.07070	1.1
61.02924	4.8
67.05508	1.8
68.52213	0.4
69.03439	3.1
69.07069	1.4
71.35490	0.8
73.02920	3.7
79.05491	2.8
81.03420	2.7
81.07049	2.7
83.01092	0.7
83.04975	1.2
83.08631	0.9
85.02902	5.8
91.03957	4.7
91.05479	1.9
93.07064	1.2
95.01128	0.7
95.04984	1.4
95.08626	1.1
96.01857	0.5
97.02901	4.6
97.10168	0.5
99.04452	1.6
101.02392	1.7
103.03982	0.7
105.07041	1.8
107.04936	0.7
107.08576	1.8
109.02850	1.0
109.10159	0.8
111.08050	0.9
115.03896	0.9
117.05505	1.1
119.08606	1.3
121.10165	1.3
123.04240	1.2
125.09589	0.6
127.03891	2.7
127.11215	0.6
129.05464	2.6
129.06989	0.8
131.08572	0.7
133.10136	1.1
137.06026	0.6
137.09612	0.6
139.03683	0.9
145.04959	1.1
145.10065	0.4
147.11693	1.1
149.09711	1.1
156.03969	0.7
157.08632	0.5
157.10135	0.5
161.05943	0.6
175.11198	0.6
181.04767	1.2
182.05626	0.5
184.03473	1.2
185.04214	8.2
193.12286	1.9
195.06401	0.6
199.05815	1.7
199.13356	0.9
200.82045	0.4
201.03683	3.3
201.14899	1.0
203.05353	1.0
211.13303	1.0
221.11617	0.8
227.05322	1.2
241.06870	1.1
243.08392	5.7
251.12572	5.6
252.13174	0.5
259.07956	0.9
265.14368	0.8
277.14163	1.0
283.15256	0.7
285.16852	0.6
291.15524	2.2
299.09277	0.9
301.08966	22.8
302.09500	0.9
307.15118	1.0
313.08884	0.5
315.10510	4.9
327.10590	1.9
329.12137	1.2
341.12234	1.7
343.13699	1.6
349.16122	5.7
350.16666	0.7
355.13797	1.6
357.11398	0.5
357.15308	1.3
360.10437	0.5
361.18781	0.5
363.17874	1.2
367.17371	1.4
369.15158	1.1
371.16879	1.7
373.11014	7.5
383.16705	4.5
385.10889	0.5
385.18323	12.5
386.18695	1.0
387.12701	1.9
395.16687	4.3
401.14154	1.1
405.22220	0.6
413.17670	0.6
415.15854	1.1
423.19803	0.8
429.17477	1.7
433.25595	4.2
434.26263	0.7
439.19217	2.1
441.21103	1.1
443.18869	7.2
444.19669	1.2
451.26407	0.4
457.20612	1.5
467.18970	1.0
469.20471	18.9
470.20789	1.9
479.26294	1.6
483.22028	1.2
484.19324	1.2
485.19760	6.4
486.19788	0.7
499.21442	5.0
500.22101	0.9
511.21368	2.1
527.28619	2.0
528.21661	6.9
528.28821	0.8
529.22363	0.8
541.22546	11.8
542.23035	1.0
555.23828	3.3
568.29138	0.8
569.25305	4.0
570.26471	0.7
583.29279	1.8
597.27429	0.6
598.29486	0.5
611.30383	8.9
612.31140	5.0
613.31555	0.6
625.31720	1.1
651.33374	1.7
653.31451	1.9
667.32941	1.7
668.33386	0.7
695.32129	3.6
696.33154	1.4
713.33380	100.0
714.33765	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	713.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.8
63.54261	0.5
64.38182	0.7
67.05505	1.2
71.31861	0.7
71.32238	0.7
81.07065	1.6
85.02911	0.6
86.09764	0.7
91.05490	0.7
93.07075	0.9
95.08617	1.3
103.05482	0.7
106.53039	0.6
107.08577	0.7
109.10141	0.6
119.08595	0.5
137.05952	1.1
151.07471	0.6
245.02927	0.5
287.70593	0.6
557.23767	1.0
599.49982	0.6
612.29016	1.2
641.29321	7.2
642.30176	1.2
644.28308	0.8
713.34888	100.0
714.35266	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	713.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.8
55.01868	0.3
55.05514	1.1
57.03433	1.4
59.04992	0.5
61.02924	3.6
62.49372	0.3
65.03953	0.4
65.57170	0.3
67.05508	3.5
69.03423	2.1
69.07066	0.7
69.70391	1.5
71.01309	0.4
71.05005	1.1
73.02914	2.6
75.79765	0.3
79.05480	2.7
79.05824	0.2
80.13902	0.3
81.03408	2.4
81.07055	5.1
83.04994	0.5
83.08626	1.2
85.02900	3.3
85.06583	0.5
87.04485	0.4
91.03954	1.9
91.05474	2.6
93.07043	3.2
95.04969	0.9
95.08020	0.3
95.08619	1.0
97.02891	2.7
97.06540	0.6
99.04464	0.5
101.02399	1.4
105.07006	1.7
107.08598	2.3
109.02905	0.9
111.08102	0.6
117.07085	0.4
119.08604	0.8
121.10120	1.7
127.03939	1.2
131.08588	0.8
133.10178	0.6
135.11687	0.4
147.11737	0.9
149.09648	1.1
149.13216	1.7
157.10127	0.4
159.11725	0.9
162.83005	0.4
175.11240	0.4
185.04263	0.4
193.12280	0.5
195.13808	0.4
210.19221	0.3
225.14996	0.4
235.13132	0.8
243.08362	2.1
251.65366	0.3
263.19525	0.3
267.15939	0.6
269.17529	0.6
283.15134	2.9
283.52844	0.3
291.15573	0.3
324.05893	0.3
339.17871	0.7
357.47418	0.3
453.14590	0.5
453.20908	9.3
454.21301	0.6
469.20590	0.5
501.22983	6.6
502.23489	0.4
580.97992	0.3
713.37134	100.0
714.37512	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	713.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.6
55.01860	0.6
55.05503	1.0
57.03440	1.5
59.04999	0.3
61.02926	4.4
65.03947	0.5
67.05499	3.6
69.03436	2.8
69.07076	0.4
71.01312	0.4
71.04994	2.5
73.02910	2.8
79.05494	2.4
81.03418	3.6
81.07053	3.8
83.04977	0.8
83.08626	1.3
85.02905	5.1
85.60617	0.3
87.04475	0.6
91.03956	2.2
91.05477	3.6
92.06771	0.3
93.07053	1.9
95.04978	1.4
95.08614	0.9
97.02879	4.0
97.06544	0.9
97.10200	0.3
99.04437	0.6
101.02395	1.3
103.03947	0.5
105.07028	1.6
107.04984	0.5
107.08620	1.2
109.02895	0.8
109.06506	0.5
109.10165	0.8
111.08112	0.5
119.08614	1.1
121.10157	1.0
123.11729	1.0
127.03927	1.1
129.07016	0.8
131.08606	1.0
133.10133	2.4
135.11722	0.7
145.05014	0.3
147.11720	0.8
149.09628	0.6
149.13266	0.5
151.11208	0.7
151.17047	0.3
157.10193	0.9
159.11807	0.3
175.11226	1.0
185.04301	0.5
188.55876	0.3
193.12331	1.3
203.05359	0.4
211.13361	0.8
228.85591	0.3
243.08388	2.2
251.12573	0.8
257.17609	0.4
267.15765	1.2
441.20346	0.3
448.56693	0.3
453.20963	1.8
469.20471	7.5
470.20953	0.9
485.23560	4.6
486.23495	0.3
501.23080	1.1
549.76794	0.3
551.29706	0.4
641.30884	1.1
667.33087	0.4
713.37152	100.0
714.37561	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	714.4785
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42487	1.1
53.03940	2.1
55.01875	1.2
55.05510	8.0
55.42511	1.0
56.05031	1.7
57.03432	4.7
57.07079	1.9
59.24448	1.0
60.08178	5.0
67.05166	2.0
67.05506	29.6
69.03425	2.1
69.07076	8.5
69.17952	8.2
71.05003	1.4
71.07374	3.1
77.03952	1.0
79.05501	17.3
81.03455	1.2
81.07057	30.0
82.07392	1.3
83.04985	2.4
83.08623	4.3
85.06552	1.9
86.09193	2.1
86.09706	34.6
91.05487	12.9
93.07045	18.4
93.07609	1.7
94.39820	1.2
95.04987	1.5
95.08607	19.3
97.06519	2.6
97.10198	2.2
98.22602	2.1
98.98499	6.0
104.10780	1.2
105.07039	11.6
105.07697	1.7
107.08589	9.0
109.06483	1.0
109.10150	8.5
111.08075	2.2
115.05417	1.0
117.07019	3.1
119.08580	7.6
121.10159	10.0
123.08042	2.1
123.11703	3.6
125.00006	24.7
125.09640	1.2
129.06897	1.2
131.08556	6.7
133.10109	6.9
135.08051	1.1
135.11710	6.5
137.09624	1.6
143.08557	1.5
145.10127	5.3
147.11678	7.6
149.13254	2.4
159.11714	3.6
161.13284	2.8
163.14824	1.1
165.12686	1.5
166.41182	1.0
173.11823	1.6
173.13271	3.4
175.14880	2.0
184.07347	100.0
185.07686	3.2
185.13297	1.4
187.14857	2.1
189.16420	1.5
213.16461	1.0
229.14331	3.6
239.16455	4.6
241.17793	1.1
261.22195	1.3
314.55478	1.2
317.24850	1.4
335.25793	9.7
360.04932	1.1
407.33325	1.2
425.34113	4.5
443.35251	1.6
489.35678	1.9
499.38049	6.0
517.38788	18.0
518.39294	2.0
599.50067	6.5
600.50195	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.5066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	12.0
57.07060	7.9
67.05504	51.9
69.07073	19.9
71.31582	8.9
73.34784	6.6
76.31880	6.7
79.05487	23.0
81.07054	45.5
83.08607	10.9
91.05485	13.7
93.07024	23.1
95.08599	43.1
97.10179	7.9
105.07009	12.0
107.08596	16.6
109.10130	9.9
119.92969	6.9
133.10146	7.8
192.94740	6.9
212.72021	7.1
262.25250	25.8
263.23486	9.6
356.21622	7.2
436.90271	7.3
599.50366	100.0
600.50696	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.5503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.0
55.05505	7.6
56.05034	3.6
57.07059	4.9
57.51956	0.7
60.04520	1.3
65.03936	0.8
67.05505	20.8
68.05013	1.1
69.03436	1.1
69.07058	9.5
69.17345	4.4
69.17744	1.8
70.06590	1.3
71.08609	1.7
75.76260	0.7
78.71078	0.7
79.05492	12.1
80.05008	2.9
81.03427	0.7
81.05803	1.1
81.06619	1.3
81.07054	18.0
82.06580	6.0
83.08617	6.4
85.02894	2.4
91.05476	10.6
93.07044	12.4
94.06560	16.3
95.04966	1.0
95.07343	6.0
95.07985	1.2
95.08600	15.6
96.08115	3.4
97.10158	2.7
98.98478	1.6
105.07027	5.6
107.08575	5.9
108.08111	3.4
109.10160	6.0
111.11687	1.1
119.08596	6.3
121.10161	7.0
122.09641	2.1
123.11697	2.2
129.07024	0.7
133.10121	3.7
135.11703	3.7
136.11208	0.9
137.13213	1.2
147.11693	1.0
149.13266	1.0
151.14795	0.9
161.13232	1.6
163.14745	0.8
172.33453	0.7
189.16405	0.9
233.22664	3.5
234.22462	0.8
245.22632	5.7
250.25282	7.1
262.25287	100.0
263.23630	1.3
263.25778	8.1
272.25827	6.3
280.26282	7.6
337.27170	1.9
504.47745	5.7
516.47723	26.8
517.48077	4.6
518.49194	5.5
534.41119	1.3
534.48663	14.5
535.48895	2.7
599.50293	24.7
600.50421	5.4
696.53302	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.5505
Annotation	Pinelloside
Peak:m/z	Relative Intensity
51.14670	0.5
53.03940	1.1
53.63466	0.5
55.05288	0.7
55.05509	6.5
56.05049	4.4
57.03418	0.6
57.07069	2.2
58.06587	0.6
60.04517	2.1
65.03931	0.5
66.12845	0.5
67.05505	13.7
67.67546	0.5
68.05016	1.5
69.03411	1.3
69.07066	6.8
70.06574	2.2
71.08621	1.9
76.80524	0.5
77.03886	0.6
77.16005	0.4
79.05488	11.8
79.23299	0.6
80.05000	3.5
81.03415	1.1
81.05773	1.4
81.07056	11.1
82.06577	6.9
82.07331	0.5
83.08621	5.5
85.02888	2.2
85.10183	0.9
91.05474	11.2
93.05767	0.8
93.07043	9.7
94.06567	20.2
95.04953	0.8
95.06805	0.8
95.07352	9.4
95.08601	10.3
96.08144	5.4
96.08699	0.7
96.08897	0.4
97.02891	0.7
97.10179	3.0
105.07033	5.6
107.07388	0.6
107.08595	5.7
108.08117	3.6
109.10162	3.6
110.45953	0.5
117.12554	0.7
119.08575	6.8
121.08890	0.7
121.10133	5.4
122.09686	2.5
122.10417	0.6
123.11686	1.4
125.69545	0.5
127.03897	0.7
133.10135	4.2
134.42352	0.5
135.10674	0.8
135.11687	2.8
136.11247	0.7
137.13235	0.7
147.11684	2.1
149.13251	1.2
151.14723	0.5
161.13248	0.8
172.24458	0.5
175.14894	0.6
191.18001	0.6
219.21004	0.6
233.22621	4.0
238.91608	0.5
245.22624	4.6
250.25288	7.8
262.25290	100.0
263.25711	8.2
272.25793	4.5
273.26556	0.5
280.26389	6.5
281.26556	0.6
312.25052	0.6
313.67688	0.5
504.47668	5.4
505.47562	0.5
516.47742	25.4
517.48193	4.5
518.48993	5.2
519.49646	0.7
525.12628	0.5
534.48767	13.9
535.49194	2.4
599.49878	1.2
696.53711	3.4
697.53577	0.6
743.77850	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28933	0.3
60.93734	0.4
69.07058	0.4
70.01595	1.7
79.05475	0.7
81.07046	0.8
86.09705	2.7
87.53289	0.4
91.05480	0.5
93.07056	0.6
95.08610	0.8
97.06538	0.6
97.15698	0.4
105.07005	0.4
111.04440	0.5
120.08115	0.7
126.39285	0.3
151.07568	0.4
158.99673	0.5
198.14932	0.6
226.14420	0.4
321.04770	0.9
339.22824	0.8
415.11292	0.5
426.29929	0.4
715.32922	100.0
716.33270	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	715.3296
Annotation	Glaberianthrone
Peak:m/z	Relative Intensity
62.93736	0.7
67.05506	1.4
70.83073	0.7
79.05495	2.0
81.07065	1.7
83.08665	0.9
90.30930	0.9
91.05450	1.0
93.07035	1.3
95.08607	1.9
98.23408	1.5
102.00751	0.7
108.45918	0.7
119.08559	1.6
121.10155	1.0
715.32904	100.0
716.33203	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	716.4938
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84451	2.1
53.03944	5.6
55.05508	41.2
56.05846	3.0
57.03431	22.2
57.07076	13.9
61.02924	4.8
61.34598	2.6
65.03955	3.0
67.05505	69.0
68.12878	2.4
69.03434	2.6
69.07066	45.8
71.01354	2.4
71.04990	6.7
71.08619	5.7
78.28690	2.3
79.05491	48.5
81.03420	5.9
81.07055	61.3
83.04969	10.8
83.08619	28.0
85.02928	3.2
85.06533	6.2
85.10190	3.1
86.09698	16.4
89.06018	2.6
91.05489	17.0
93.07044	60.8
95.04969	13.6
95.08598	36.6
95.09145	3.1
97.06519	14.5
97.10165	22.0
99.08089	2.4
105.04548	3.8
105.07033	7.1
107.08595	38.7
109.06542	3.4
109.10161	17.4
111.08086	4.3
111.11720	3.0
117.07011	6.2
119.08595	7.2
121.10130	18.4
123.11707	6.2
125.00010	9.2
125.09684	3.4
131.08530	3.5
133.10123	5.8
135.11693	50.8
136.12015	2.5
145.10139	7.8
149.13268	5.4
151.11148	2.8
153.12769	4.0
159.11703	2.7
163.11211	6.1
165.09099	2.4
178.28122	2.4
181.12300	6.2
184.07347	31.6
191.72580	2.1
211.09624	3.1
255.15904	100.0
256.16235	4.6
263.12634	2.7
265.25412	3.3
269.17538	8.7
302.65201	2.5
325.27377	9.3
339.28928	44.0
340.29184	4.5
519.40442	92.8
520.40900	13.1
601.51642	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	717.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.7
53.03929	2.8
53.85872	0.5
55.01855	1.7
55.05507	5.5
55.48520	0.5
57.03434	0.8
61.28337	0.6
62.85234	0.6
67.05501	8.7
68.32072	0.5
69.03420	6.4
69.07058	1.5
69.40134	1.5
69.40562	2.5
71.04986	2.3
77.03934	0.8
79.05492	14.7
81.03416	9.8
81.07039	5.6
83.04971	4.2
85.02896	2.2
89.03684	0.5
91.05471	7.2
92.05833	0.7
93.07055	2.8
95.04958	7.4
95.08597	3.1
95.84048	0.6
97.02882	1.0
97.06519	2.9
99.04447	4.7
103.05442	1.0
103.46001	0.5
105.04506	1.2
105.07020	10.3
107.04948	20.1
107.08613	2.9
108.05282	0.8
109.02870	3.7
109.06509	4.2
109.10151	34.0
110.10490	1.1
111.04443	2.0
115.05479	0.7
117.07006	1.3
119.08578	10.9
120.08894	0.7
121.06458	3.2
123.04446	1.3
123.08009	1.3
125.05988	2.2
127.03895	1.2
128.06215	5.7
129.06990	5.0
131.04930	0.8
131.08565	1.0
133.06464	1.5
133.10117	10.0
135.04338	1.2
135.08109	1.4
137.05981	3.7
137.09605	53.8
138.09941	1.8
143.07002	1.3
143.08554	14.9
144.08923	0.9
145.06473	2.0
145.10109	2.4
146.07217	3.5
147.08046	19.3
148.08513	0.6
149.05937	0.9
151.07530	1.1
153.01744	1.0
159.08029	1.8
161.05981	1.6
161.09605	100.0
162.09938	5.3
163.07527	1.6
163.11177	1.9
165.09102	83.7
166.09439	3.9
167.07005	1.7
171.08052	1.4
173.04439	1.9
174.06775	1.7
175.07442	0.6
179.10669	9.0
180.11134	0.7
181.04945	1.8
183.10094	0.7
189.09096	10.7
190.09454	0.7
193.08606	0.5
195.07880	0.5
197.11697	3.3
199.07599	0.6
207.10152	50.5
208.10461	3.6
225.11203	10.3
232.91626	0.6
243.74608	0.7
274.10345	0.5
285.07516	0.6
369.15402	7.0
370.15646	0.9
387.16580	3.5
393.22424	0.7
422.32132	0.6
717.22693	0.9
717.36792	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.4
55.05511	0.8
67.05502	1.5
69.15984	3.9
72.96255	0.4
79.05492	1.2
81.07073	1.6
82.94565	0.7
84.10730	0.4
91.05476	0.5
93.07063	1.8
95.08613	1.3
105.07042	0.7
107.08577	0.9
109.10149	1.3
116.28672	0.5
119.08589	0.9
121.10135	0.7
123.08025	0.6
133.10138	0.5
145.10112	0.8
149.13307	0.5
182.86623	0.4
304.50119	0.5
321.05197	0.7
467.71686	0.5
629.02759	0.5
650.62225	0.6
657.36804	0.6
717.34430	100.0
718.34753	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73502	0.4
67.05511	0.9
69.07069	0.7
69.61269	1.9
78.75774	0.4
79.05488	1.1
81.07066	1.5
86.91713	0.4
91.05462	1.1
93.07047	1.2
95.08622	1.2
105.07053	0.6
107.08594	0.8
109.10165	1.0
111.96519	0.4
119.08607	0.7
163.11261	0.4
193.41983	0.4
323.72400	0.5
376.85202	0.4
452.29697	0.5
501.43738	0.4
567.42395	0.4
580.08942	0.4
717.34503	100.0
718.34882	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	717.418
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02335	0.2
53.03943	0.9
55.01875	0.4
55.05510	1.3
57.03434	2.3
57.07065	0.3
61.02926	5.7
61.32115	0.2
64.47114	0.2
65.03933	0.3
67.05502	5.4
69.03191	1.0
69.03481	3.6
69.07059	1.7
71.01351	0.6
71.04996	0.6
73.02920	4.1
75.87784	0.2
78.90640	0.2
79.05489	4.4
81.03423	1.9
81.07056	5.2
83.04987	0.5
83.08627	1.0
85.02898	5.9
87.04467	0.6
91.03952	3.7
91.04434	0.3
91.05482	2.1
91.27792	0.2
93.07043	5.9
93.07607	0.5
94.07389	0.4
95.04987	0.7
95.08604	3.8
95.09148	0.3
96.08940	0.2
97.02888	5.4
97.06551	0.9
97.10179	0.6
99.04451	1.3
99.08087	0.3
101.02379	2.5
103.03941	0.5
105.07019	1.2
107.08588	3.5
109.02894	1.1
109.06561	0.3
109.10146	1.8
111.08047	0.4
115.03948	0.4
117.07007	0.5
118.98997	0.2
119.08548	1.2
121.10129	1.7
122.10497	0.2
123.11720	0.4
127.03923	2.0
131.08600	0.9
133.10124	1.1
135.11708	3.3
137.09608	0.2
137.13261	0.3
145.04965	0.7
145.10126	1.0
147.11769	0.3
149.13303	0.3
163.11172	0.5
173.13283	0.3
181.12273	0.2
185.04279	0.6
203.05295	0.6
221.11559	1.6
243.08347	2.6
283.15442	0.7
331.93475	0.2
335.25912	0.8
439.19406	4.3
440.19821	0.4
470.78305	0.2
519.29248	8.3
520.29559	1.1
521.38428	0.3
717.41736	100.0
718.42090	17.1
719.96088	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33519	0.4
53.03943	1.0
65.03662	0.4
65.03938	3.7
67.05490	2.0
69.03436	2.7
69.12674	3.7
69.19917	0.5
81.03410	3.7
81.07011	0.4
82.04171	1.1
85.02899	3.7
89.87003	0.5
91.05441	0.7
93.03378	1.1
95.04971	1.8
97.02860	1.3
97.06528	1.5
99.04401	0.5
108.02081	0.7
109.02892	1.1
110.03638	1.6
119.04884	0.4
123.04417	1.9
125.02374	0.6
125.05979	1.2
127.03860	0.7
131.04877	0.5
137.05980	4.6
138.03114	0.9
140.04674	6.5
142.02596	1.7
145.72870	0.5
149.47850	0.5
151.03867	2.3
153.05458	1.3
154.08685	0.4
155.07030	3.0
160.05128	0.4
163.07562	0.5
165.09171	0.5
165.33578	0.4
167.07027	1.1
171.06517	3.4
173.08052	0.5
175.07536	2.0
177.05374	0.6
181.04947	100.0
182.05287	3.9
187.07506	0.9
195.06499	1.0
199.06007	7.4
204.43704	0.5
205.08453	0.7
219.10025	0.8
228.81097	0.5
323.12784	0.8
325.09122	4.6
341.13684	1.1
343.10187	4.8
380.19720	0.4
718.44171	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.7
66.04713	1.1
67.05492	0.9
68.40382	0.5
69.03429	1.3
69.10857	5.9
69.11488	0.5
79.05483	2.2
81.03392	1.1
81.07037	1.7
85.02906	2.3
91.05466	5.7
93.07035	0.8
94.04176	2.9
95.04975	1.4
95.08583	0.6
97.02915	0.6
98.22589	1.1
103.05463	7.4
105.07011	2.4
107.04929	4.1
107.08576	1.0
108.05741	0.5
109.06495	1.9
115.05464	2.0
117.07008	3.2
119.04945	2.8
121.06506	3.3
122.03651	5.7
123.08044	2.2
128.06203	0.9
129.06992	2.8
131.04924	14.4
131.08479	1.0
132.67198	0.7
133.06487	1.8
135.08043	2.7
136.05170	0.8
137.05969	100.0
138.06262	3.1
143.04936	1.1
145.06459	2.2
146.03595	1.7
146.07195	0.8
147.04379	1.0
148.05206	1.0
149.05956	2.4
151.03903	1.6
151.07524	25.0
151.08722	1.3
152.07881	0.7
153.01871	0.7
157.06514	2.0
159.08057	0.6
160.05144	0.8
161.05968	21.4
161.09595	3.1
162.06465	0.8
163.07538	32.3
164.07875	0.9
165.05449	0.7
165.06975	1.2
165.09166	1.3
166.07724	0.8
167.07025	2.6
169.04968	0.9
171.07935	0.8
173.06041	0.7
174.06799	2.0
175.07530	9.0
177.05579	0.9
177.09090	21.9
178.09468	0.9
179.07129	0.9
181.04912	1.2
187.07524	1.4
189.09081	9.3
191.06905	0.9
191.08539	1.5
193.06577	1.1
193.08463	1.2
194.07225	1.4
195.08130	1.3
195.10136	16.3
201.09151	0.8
203.08560	0.7
205.06464	1.4
205.08394	0.8
206.07289	1.2
207.08101	1.6
207.10098	7.6
209.07985	0.9
209.09717	1.1
211.07608	1.1
218.07352	0.7
219.08008	2.6
219.10165	6.3
221.05923	1.9
221.11694	3.6
222.06747	1.5
223.07541	0.9
224.08282	1.4
225.08992	1.7
231.08247	0.7
233.05902	1.3
233.09605	1.9
234.06850	1.1
235.07547	2.4
236.08237	1.2
237.08957	4.3
238.06303	0.9
239.06866	0.8
239.10736	1.6
240.07863	0.8
241.08627	1.0
247.07495	1.4
248.08182	0.9
249.09029	2.8
250.09853	0.9
251.06987	0.9
251.10657	2.1
252.07791	0.7
253.08594	2.8
253.12177	0.9
254.08981	0.8
259.07318	0.6
261.09109	1.7
262.06216	1.8
262.09531	0.8
263.07037	0.7
263.10651	0.9
264.07794	1.3
265.08615	8.8
265.11807	0.9
266.09158	1.7
267.10095	4.1
269.08029	2.1
270.08728	1.0
277.08630	4.5
278.09082	1.1
279.10162	7.0
280.10727	1.4
281.08182	1.2
281.11682	1.4
282.08954	1.2
283.09631	3.4
284.10428	0.8
285.11176	5.7
293.11661	1.5
295.09747	1.5
295.13116	0.7
296.10425	1.6
297.11191	17.5
297.14447	1.0
298.11438	1.2
299.12906	3.2
305.11691	1.1
307.13266	0.7
309.11304	3.3
311.12756	19.6
312.13058	1.4
313.14316	1.1
317.14020	3.2
323.12717	2.1
325.14407	1.6
327.12402	1.7
329.13788	0.8
337.14136	0.7
343.15430	12.7
344.15884	1.2
355.15466	3.5
369.16971	1.7
447.18167	1.1
459.17859	1.5
461.19580	6.8
462.19717	1.3
479.20587	15.2
480.21051	1.5
491.20590	13.0
492.20880	1.5
493.22165	10.1
494.22437	1.1
503.20789	0.7
509.21661	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	718.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.6
55.01870	2.5
55.05509	11.8
57.03437	9.2
57.07076	26.0
57.27725	0.7
61.02922	1.7
67.05505	18.3
69.03424	1.3
69.07067	9.0
69.22056	6.7
71.05000	2.5
71.08633	17.5
73.02929	1.2
73.06532	0.9
79.05490	21.3
81.03433	2.6
81.07056	21.8
83.04990	3.3
83.08617	12.4
85.02930	1.2
85.10182	11.4
87.04484	0.8
89.06039	3.5
91.05493	4.9
93.07040	26.3
93.07613	1.7
95.04951	4.7
95.08603	39.7
96.08926	1.8
97.02905	3.7
97.06533	3.2
97.10164	4.8
98.23354	1.5
99.04455	2.9
103.07577	1.3
105.07018	4.8
107.04963	8.2
107.08597	23.3
109.06523	1.3
109.10154	8.5
111.04429	1.2
111.08075	1.6
111.11759	1.2
117.07015	5.0
119.08575	7.9
121.06516	4.9
121.10123	10.3
123.11720	2.5
125.06013	3.3
130.07771	1.1
133.10167	3.1
135.08083	1.8
135.11687	41.3
136.12056	1.5
139.07503	1.5
145.10127	21.4
153.12701	0.9
163.11177	47.4
164.11536	2.0
173.09639	1.4
174.26883	0.8
181.12228	8.3
184.07407	1.3
209.11653	1.4
227.12767	58.5
228.13123	2.3
233.14951	0.9
239.23827	1.7
257.24716	2.5
283.15396	89.4
284.15720	5.1
299.21271	0.9
313.27347	100.0
314.27713	8.3
483.23096	1.5
521.38354	94.4
522.38678	13.2
718.43469	1.8
719.43805	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	718.4728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
55.01875	5.0
55.05510	14.8
57.03437	13.5
57.07075	24.8
59.04998	1.8
61.02927	4.3
64.73553	0.7
67.05507	13.8
69.03423	1.8
69.07066	8.8
69.23648	6.3
71.01342	1.0
71.04989	1.7
71.08633	16.8
71.86988	0.7
73.02913	1.5
78.21216	0.8
79.05504	12.0
81.03415	7.4
81.07055	18.7
83.01338	7.6
83.04983	8.2
83.08612	11.6
85.02911	5.6
85.06542	0.8
85.10188	9.6
86.09721	3.8
89.06044	0.9
91.03955	2.6
91.05473	8.4
93.07046	15.2
95.04968	5.2
95.08601	17.0
97.02895	3.4
97.06523	2.2
97.10163	4.3
99.04457	1.7
105.07013	6.3
107.04956	4.3
107.08589	7.9
109.06471	4.0
109.10144	7.6
111.04421	1.8
111.08101	1.1
117.07023	4.4
119.08575	5.4
121.06522	2.3
121.10126	5.7
123.08067	6.4
123.11697	1.7
124.99992	1.9
125.05987	1.5
125.09683	1.1
128.99814	0.7
131.08620	1.8
133.10121	2.0
135.08125	1.1
135.11685	8.3
137.09583	1.1
137.13203	0.9
145.10127	9.7
147.08018	0.8
149.05835	1.0
153.12735	2.0
163.11174	15.4
164.11609	1.0
173.09648	3.0
181.12268	1.4
184.07347	6.7
185.07713	1.6
186.07773	1.3
191.10651	1.8
209.11708	4.9
227.12785	3.2
257.24591	1.1
260.49423	0.8
283.15387	100.0
284.15710	6.4
313.27347	75.8
314.27655	6.2
346.32574	0.9
432.91629	0.9
439.09967	0.8
521.38385	48.6
522.38770	7.2
719.43945	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4728
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11202	0.6
53.03942	1.3
55.01866	2.0
55.05507	7.9
55.75645	0.6
57.03181	0.8
57.03440	10.0
57.07075	24.2
61.02923	2.4
65.03920	1.0
67.05505	15.3
69.03431	1.3
69.07068	11.0
69.95287	1.5
71.04989	1.9
71.08629	20.9
73.02908	1.5
79.05489	13.6
81.03407	1.8
81.07053	21.3
83.04977	2.3
83.08620	11.6
83.19964	0.6
85.02905	2.2
85.06535	1.0
85.10178	12.1
86.09732	1.2
89.06029	1.7
91.03967	1.6
91.05473	4.8
93.07044	19.4
94.07392	1.0
95.04965	3.9
95.08603	32.2
95.09220	1.5
96.08953	0.8
97.02887	3.2
97.06538	2.1
97.10166	4.3
99.04452	2.3
99.45982	0.7
101.02406	0.9
103.07599	0.8
105.07021	4.8
107.04942	5.0
107.08597	14.1
107.09269	0.6
109.06489	0.8
109.10168	7.5
111.08105	1.2
117.07030	3.7
119.08581	5.9
121.06497	3.0
121.10136	8.2
123.11718	2.6
125.00059	0.7
125.05979	1.3
127.03912	0.8
133.10133	2.2
135.08141	1.0
135.11690	26.4
136.92719	0.7
137.13223	1.1
139.07520	1.2
145.10121	15.4
146.10399	1.1
163.11171	33.2
164.11534	1.4
181.12256	5.1
184.07285	3.5
227.12762	37.7
228.13049	1.7
239.23726	2.0
257.24741	2.4
283.15390	40.4
284.15735	2.4
313.27356	100.0
314.27737	6.8
439.19125	1.5
521.31854	2.6
521.38354	66.4
522.38702	10.6
530.73816	0.8
536.78613	0.8
546.38116	0.9
718.41260	2.4
719.43396	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	718.4731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.9
55.01860	2.8
55.05509	27.2
57.03437	17.1
57.07081	6.0
61.02922	4.0
65.03951	1.6
67.05502	32.3
68.57230	0.8
69.03429	3.4
69.07064	27.5
71.04983	3.9
71.08626	3.0
73.02911	1.4
79.05488	25.7
81.03413	45.6
81.03897	2.2
81.07054	39.9
82.03734	1.2
82.07384	1.5
83.04981	12.9
83.08617	31.5
85.02902	20.3
85.06541	1.7
85.10175	1.4
91.05475	25.1
93.07046	23.5
95.04964	18.5
95.08598	21.9
96.08950	0.9
97.02893	3.6
97.06530	5.8
97.10169	11.7
97.58683	0.7
98.22537	1.9
99.08079	1.6
105.07027	16.9
107.04956	3.8
107.08584	11.5
109.06506	3.9
109.10149	7.1
111.04470	1.6
111.08079	8.4
111.11709	2.2
113.06001	2.7
115.05430	1.5
117.07018	1.8
119.08576	14.6
121.06547	1.0
121.10149	17.8
123.08069	2.4
123.11733	4.7
125.09650	3.2
128.06163	1.0
129.07007	8.3
131.08543	7.3
133.06459	1.9
133.10133	8.1
135.11703	7.9
137.09615	1.5
137.13281	1.9
139.11183	1.3
142.07722	2.2
145.10153	1.4
147.08057	2.6
147.11678	9.6
149.09636	4.4
149.13264	2.6
152.88942	0.8
157.10097	10.6
165.12804	1.8
175.11180	10.2
184.07295	3.0
189.11188	1.0
191.30284	0.8
193.12238	31.9
194.12666	1.1
211.13278	59.6
212.13629	3.1
219.21068	1.7
227.12842	1.2
229.14351	1.0
237.22139	3.6
267.15912	18.2
273.07327	0.9
274.02701	0.9
285.16956	78.6
286.17395	5.6
311.25775	76.6
312.26047	6.0
343.43524	0.9
357.17929	1.1
374.72260	0.9
389.36694	1.1
503.37317	14.5
521.38348	100.0
522.38605	11.7
719.43829	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4727
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15281	1.2
51.02355	1.5
52.46321	1.7
53.03940	2.1
55.05503	12.8
57.03434	10.0
57.07075	31.5
63.34671	1.5
67.05161	2.7
67.05500	34.1
69.07066	17.1
69.83403	7.4
71.04988	3.2
71.08636	23.3
71.99718	1.4
79.05480	16.4
81.07055	41.0
83.04985	4.0
83.08607	16.3
83.25590	1.4
85.02895	1.8
85.06561	2.7
85.10185	11.6
91.05482	7.7
93.07047	25.1
95.01321	2.1
95.04946	7.3
95.08604	25.2
97.06520	5.6
97.10168	3.5
98.22694	1.6
99.08078	2.6
105.07029	4.2
107.08596	17.0
109.06577	1.5
109.10156	7.8
111.08057	3.3
111.11709	2.0
117.07013	4.1
119.08637	2.5
121.10146	9.5
123.11744	3.6
131.08611	3.3
133.10149	4.0
135.11676	5.2
141.01862	2.3
147.90208	1.7
149.13235	13.2
159.11717	6.6
177.12773	2.6
184.07405	2.0
195.13817	6.3
211.09717	2.5
239.23668	3.8
269.17480	41.0
270.17947	2.0
313.27362	58.1
314.27643	2.9
507.40430	100.0
508.40771	16.6
642.96063	1.8
727.28412	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.4
60.64230	0.6
67.05498	2.1
69.07043	1.1
69.98589	2.5
79.05505	1.1
81.07059	2.2
83.08594	1.2
93.07041	1.2
95.08610	2.1
97.06553	0.7
98.22575	0.7
105.07073	1.1
107.08608	1.1
109.10138	1.2
119.08577	0.7
121.10114	0.7
138.45628	0.6
147.11699	0.7
271.61624	0.7
306.47165	0.7
315.01572	0.7
719.36017	100.0
720.36273	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	719.3604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04707	1.0
55.05511	2.1
59.03960	1.1
60.40121	1.1
67.04245	1.0
67.05493	3.9
69.07056	2.6
71.33788	1.8
72.65387	1.0
79.05474	2.7
81.07067	3.0
89.79506	1.0
91.05491	1.6
93.07076	2.2
95.08600	3.4
97.06518	1.1
105.06992	2.0
107.08585	1.6
109.10178	1.2
112.94657	1.0
121.10127	1.6
135.11703	1.2
141.84006	1.2
147.64461	1.2
348.66992	1.3
719.35980	100.0
720.36273	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	719.4332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
55.01879	0.5
55.05504	2.0
57.03440	2.3
57.07066	0.7
60.08179	0.4
61.02923	4.8
67.05500	5.2
69.03417	2.5
69.07069	2.0
71.04995	1.2
73.02915	3.8
79.05489	4.0
81.03429	1.9
81.07053	7.0
81.07505	0.6
83.05016	0.5
83.08619	1.1
85.02901	4.3
85.06534	0.5
86.09718	1.8
91.03956	2.2
91.05478	3.6
93.07049	3.4
95.04968	0.6
95.08609	4.8
97.02870	4.0
97.10182	0.6
98.22463	0.9
99.04473	0.7
101.02398	1.7
105.07039	3.2
106.06634	0.4
107.08604	2.3
109.02924	0.7
109.10186	1.9
119.08569	2.2
120.96667	0.5
121.10159	1.8
123.11713	0.8
125.00043	1.3
127.03940	1.5
131.08559	0.9
133.10179	1.3
135.11707	1.1
145.10182	0.7
147.11711	1.3
157.10181	0.5
174.41672	0.4
184.07349	9.0
184.08878	0.6
243.08496	1.4
267.16107	1.2
313.27338	0.5
441.21024	6.6
442.21820	0.6
519.29095	6.3
520.29736	0.5
522.38550	1.1
631.51300	0.5
719.43372	100.0
720.43665	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	719.4614
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04072	1.5
52.73096	1.1
53.03933	3.5
55.05510	11.8
57.07063	1.7
62.90179	1.4
65.03943	1.3
67.05504	54.1
69.07077	12.3
71.33321	2.4
79.05488	17.3
81.07058	48.8
82.07369	1.8
82.20692	1.3
83.04991	1.8
83.08620	6.5
91.05478	10.4
93.07044	15.1
95.08611	31.7
96.08917	1.4
97.06509	2.4
97.10186	1.7
104.99277	2.9
105.07030	7.2
107.08578	8.4
109.10182	9.2
119.08575	3.8
120.95764	1.7
120.96638	33.1
121.10128	4.3
123.11702	4.0
133.10121	3.3
135.11702	2.1
136.03340	1.4
137.13228	1.9
142.70650	1.5
149.13283	1.5
263.23544	1.9
439.21909	2.1
477.73462	1.8
599.50305	31.5
600.50458	6.1
604.52826	1.6
621.48492	100.0
622.49121	18.3
719.45557	14.9
720.46320	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	720.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.8
55.01865	0.4
57.03434	0.4
65.03940	3.4
67.05489	1.0
69.03434	1.8
69.32893	0.4
69.33301	1.2
71.04965	0.2
73.02935	0.3
79.05473	0.4
81.03417	3.7
82.00576	0.2
82.04188	1.1
85.02901	3.8
91.05482	1.3
93.03397	0.9
94.04156	0.2
95.04968	2.0
97.02888	1.2
97.06528	0.8
99.04439	0.5
103.05461	0.6
105.04502	0.3
105.07011	0.5
107.04942	0.5
108.02082	0.4
109.02885	1.3
110.03665	1.6
111.04424	0.9
117.07014	0.3
119.04936	0.7
119.08547	0.2
121.02839	0.4
121.06535	0.5
122.03607	0.5
123.04449	1.3
125.05953	1.2
127.03908	0.8
129.06996	0.7
131.04903	1.1
133.06451	0.4
135.08040	0.7
136.05125	0.2
137.02364	0.3
137.05977	5.8
137.09581	0.3
138.03096	0.7
138.06438	0.3
140.04681	4.8
142.02591	1.6
145.06534	0.3
149.05984	0.8
151.03905	2.3
151.04927	0.3
151.07538	4.5
153.01860	0.8
153.05446	0.6
155.07021	2.5
157.06512	0.7
159.08086	0.4
161.06012	1.2
161.09602	0.5
163.07523	2.9
165.06987	0.3
165.09143	0.7
167.07036	1.3
167.08397	0.4
169.04915	0.4
171.06525	2.5
174.06711	0.5
175.07542	0.7
177.09116	3.7
178.09509	0.2
181.04944	100.0
182.05309	2.9
189.09093	2.3
193.10101	0.4
195.08026	0.9
199.04251	0.4
199.06003	5.4
201.09190	0.3
207.10194	0.5
219.10194	0.7
221.05994	0.7
221.09697	0.5
221.11659	0.6
223.07538	0.6
225.09029	0.7
227.10684	1.2
238.06271	0.3
238.09836	0.3
249.09032	0.5
249.11389	0.3
253.08577	0.6
253.12250	0.8
255.10110	1.2
267.10059	0.6
269.08139	0.4
272.10254	0.3
281.11853	0.3
285.11218	1.2
287.12781	1.9
297.11044	0.2
299.12744	0.4
311.12711	0.6
313.09088	1.2
313.14261	1.5
325.09164	4.2
329.13623	0.3
331.15363	6.5
332.15610	0.6
343.10211	5.4
343.15222	0.7
355.15506	0.4
371.14786	0.5
421.16489	0.7
490.59317	0.2
523.67914	0.2
536.73743	0.3
541.52209	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.5
55.01867	1.9
55.05512	9.8
57.03445	9.7
57.07077	22.6
57.71126	0.9
61.02921	3.0
61.90735	1.0
67.05503	15.9
69.03447	2.8
69.07064	8.0
69.83602	4.9
71.04996	3.2
71.08636	17.4
72.08945	1.1
79.05492	11.5
81.03423	33.0
81.07062	22.0
81.07513	2.1
83.04985	7.8
83.08623	17.6
85.02898	13.4
85.10181	8.8
87.04462	1.4
91.02953	1.2
91.05491	12.6
91.61151	1.0
93.07050	10.1
95.04972	13.6
95.08609	15.5
97.02905	3.5
97.06509	2.1
97.10180	6.5
105.07017	6.9
107.04974	3.3
107.08606	4.8
109.06576	1.9
109.10165	7.9
111.04482	2.0
111.08074	5.2
113.06043	1.8
117.07030	2.0
119.05029	1.0
119.08603	9.3
121.06477	1.3
121.10185	5.0
123.08060	1.8
123.11689	3.1
129.06975	5.1
131.08569	7.4
133.06554	1.7
133.10178	4.9
135.11688	1.6
137.09512	1.3
137.30634	1.1
145.10083	2.0
147.11696	9.5
149.09648	3.2
157.10110	6.5
159.90253	1.2
163.07555	1.0
163.11200	2.2
165.12785	2.6
175.11189	6.5
193.12228	24.3
211.13304	36.8
212.13687	1.6
239.23640	1.9
267.15939	9.7
269.05435	1.3
283.15439	3.8
284.15866	2.7
285.16962	37.2
286.17410	1.7
313.27377	47.2
314.27744	6.9
315.28040	2.6
505.39001	8.4
521.38208	1.6
522.38702	2.0
523.39911	100.0
524.40240	11.4
539.30072	1.3
623.27649	3.8
720.47937	1.5
728.10498	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03908	1.9
55.01833	1.6
55.05512	10.1
57.03440	9.4
57.07076	26.7
57.07336	1.3
61.02919	3.3
62.40816	0.5
62.91815	0.6
63.74971	0.6
67.05499	17.7
69.03391	2.4
69.07069	8.2
71.04955	2.5
71.08631	22.8
71.08997	0.8
71.50484	0.6
73.02884	0.8
79.05486	12.7
81.03417	33.1
81.07054	22.4
82.07367	0.8
83.04978	7.5
83.08623	18.8
85.02905	15.2
85.06527	1.4
85.10180	12.4
86.09691	0.7
87.04485	0.7
89.05992	1.2
91.03925	1.7
91.05482	16.1
93.06543	0.7
93.07040	9.0
95.04967	14.1
95.08607	20.1
96.08932	0.6
97.02845	2.7
97.06488	2.3
97.10158	5.6
98.22518	1.1
99.08038	0.7
103.07536	0.7
105.07021	11.5
107.04948	3.1
107.08571	3.9
109.06462	2.6
109.10151	8.3
111.04444	1.1
111.08073	5.9
113.05978	1.4
117.06985	1.0
119.07769	0.7
119.08574	9.6
121.06500	0.7
121.10144	4.6
123.08046	1.3
123.11708	3.7
124.99957	1.0
125.09591	1.2
129.06996	5.3
131.08557	5.8
133.06459	1.2
133.10146	6.6
135.11627	0.9
137.09583	0.7
137.13200	0.9
142.07703	1.2
145.10138	0.6
147.08098	1.0
147.11691	8.4
149.09622	3.0
157.09064	0.7
157.10127	8.5
163.11150	1.1
165.12709	1.5
175.11183	8.0
184.07327	2.3
193.12244	27.6
194.12538	1.3
194.38583	0.6
201.67160	0.6
206.90260	0.6
211.13286	34.2
212.13515	1.4
221.22569	0.8
229.31407	0.9
239.23637	2.8
249.14983	1.1
257.24722	1.6
257.53030	0.7
267.15872	14.9
268.16351	0.9
285.16949	41.0
286.17319	2.7
313.27347	94.0
314.27722	6.3
387.27246	0.7
505.38843	19.1
506.39258	2.3
523.39929	100.0
524.33038	1.0
524.40259	14.2
721.52179	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.3
55.01864	2.3
55.05257	1.2
55.05508	16.1
57.03437	16.1
57.07076	33.5
58.07421	0.8
61.02926	4.5
65.03941	1.0
67.05502	27.4
69.03416	3.4
69.06760	0.9
69.07071	9.9
69.09628	4.5
69.10052	3.3
70.79263	0.9
71.04990	4.0
71.08629	22.5
73.02901	1.3
79.05488	16.0
81.03415	44.9
81.07053	31.0
83.04978	13.3
83.08614	20.9
83.77895	0.8
85.02901	21.0
85.06531	1.9
85.10178	12.5
87.04459	1.1
90.68024	0.9
91.05478	25.9
92.05785	1.0
93.07047	13.2
94.07394	0.9
95.04961	19.9
95.08024	1.5
95.08604	21.9
97.02905	4.4
97.06514	3.4
97.10168	7.0
99.08118	1.6
99.11707	1.4
103.07558	1.3
105.07021	15.9
107.04924	4.5
107.08585	6.2
109.06501	4.7
109.10162	9.4
111.04402	1.4
111.08101	6.0
113.06005	1.4
115.05476	1.8
117.07010	1.3
119.08570	15.1
120.08880	1.1
121.06479	1.4
121.10123	7.0
123.08057	2.0
123.11673	3.5
125.09628	1.1
129.06992	7.8
131.08569	9.7
133.06448	2.8
133.10138	7.8
137.09589	1.2
137.13251	1.4
142.07770	2.0
145.10118	1.7
147.08028	2.1
147.11694	10.1
149.09608	3.3
152.62439	0.8
157.10098	11.3
165.12733	1.8
175.11177	10.1
184.07306	1.7
193.12234	35.7
194.12596	2.0
211.13283	61.8
212.13600	2.5
231.12747	0.8
239.23683	3.0
249.14883	1.2
257.24704	2.0
267.15887	17.7
285.16953	78.1
286.17288	3.8
313.27350	84.1
314.27808	4.4
432.57529	0.9
465.35825	1.4
485.24960	2.0
505.38873	14.2
506.39163	1.5
523.39923	100.0
524.40179	13.4
539.29968	1.2
720.41980	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.8
53.03930	1.7
55.01863	2.0
65.03928	3.7
67.05506	2.7
68.99774	1.2
69.03413	1.3
71.01328	0.4
71.04998	0.5
71.32409	0.5
77.03923	0.9
79.05483	5.9
81.03428	1.5
81.07048	0.6
82.04173	0.7
83.04962	0.6
83.08516	0.4
85.02895	2.5
85.03342	0.4
86.16740	0.4
89.03889	0.8
91.05452	1.3
93.03400	1.3
95.04967	7.0
97.02885	1.3
97.06503	0.9
103.05451	1.3
105.03388	2.3
105.04499	0.7
105.07044	2.5
107.04945	13.8
107.05670	0.7
107.08569	0.6
108.02103	0.5
109.02871	1.8
110.03704	0.8
111.04429	1.6
115.05446	1.3
117.06992	1.0
118.43714	0.5
121.02896	2.1
121.06496	0.7
122.03634	0.7
123.04419	11.4
124.05182	2.0
125.02345	0.6
125.05967	1.6
127.03888	1.2
131.04933	1.5
133.02840	8.3
133.06468	3.3
135.04402	8.3
137.05974	2.4
137.09576	0.8
138.03038	0.8
139.03888	42.6
140.04152	0.9
142.02599	1.1
145.02850	0.6
145.06474	2.8
147.04405	1.7
147.11624	0.6
149.05960	0.8
151.03893	100.0
152.04201	3.4
153.01865	1.2
153.05464	4.4
155.05972	0.7
155.07030	0.6
157.06464	1.0
159.04417	1.4
161.05960	4.9
161.09613	0.8
163.03888	16.4
163.07576	0.7
164.04250	0.5
165.05450	1.4
165.09079	0.7
167.07027	25.4
168.07375	0.8
169.04974	8.0
169.06421	1.0
171.06528	1.7
171.07918	0.6
173.05978	1.6
175.03958	2.2
175.07542	0.5
177.05467	2.7
179.03394	1.5
181.04939	45.0
182.05338	1.5
183.06557	0.6
185.05977	1.6
187.07523	0.9
189.05453	8.2
191.07025	1.5
193.04958	3.8
193.08577	5.5
195.06522	2.5
197.06007	0.8
199.07671	0.4
201.05460	4.0
203.07053	1.3
205.05013	1.6
205.08609	1.8
206.05714	1.0
207.10193	1.0
209.06059	0.5
211.09683	0.6
213.05467	1.7
215.06949	0.6
219.10101	0.6
221.08054	11.8
223.06036	0.7
227.06987	0.7
231.06522	2.7
233.08069	7.0
235.16760	0.4
237.05408	0.8
241.04848	0.5
249.07503	6.0
250.07755	0.5
253.86705	0.5
255.06534	1.3
259.06033	1.9
264.81909	0.6
277.07086	1.4
283.06006	1.7
295.09589	0.5
301.07059	3.8
307.53775	0.4
319.08090	68.8
320.08420	3.7
325.10776	0.7
387.14337	18.6
388.14713	1.4
403.13837	61.3
404.14200	4.8
415.13837	23.7
415.18103	0.4
416.14200	1.7
549.94751	0.5
553.96814	0.5
721.13013	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52069	0.4
53.03939	0.8
55.01871	2.2
57.03430	1.1
58.99579	0.8
65.03938	1.9
65.13148	0.3
67.05503	0.8
69.03416	0.6
69.34998	2.7
72.77692	0.3
72.94655	0.3
75.04475	1.5
77.03920	0.6
78.04710	1.4
78.49754	0.3
79.05491	5.8
81.03398	0.5
81.07073	0.7
81.52001	0.3
85.02915	1.7
86.99049	0.8
88.60028	0.4
89.03915	0.6
89.06017	0.8
91.05480	9.9
93.03403	4.8
93.07045	3.1
94.04162	0.4
95.04982	2.7
96.20408	0.4
96.52286	0.4
97.02895	0.4
97.06511	1.4
98.22643	0.8
100.98121	0.3
103.05466	6.9
104.06270	0.4
105.00079	0.5
105.03401	0.7
105.04532	0.6
105.07030	20.0
106.04175	8.7
106.07333	0.6
107.04957	4.4
108.05757	1.1
109.06512	2.2
111.04475	0.7
114.30552	0.3
115.05442	1.2
117.03379	0.8
117.07011	0.4
118.04155	6.6
119.04964	3.3
120.05702	1.0
121.06504	12.8
122.03672	0.5
122.07272	1.6
122.67195	0.4
123.04421	1.4
123.08102	2.3
124.05216	1.4
125.05979	4.3
131.04918	2.0
131.89128	0.3
132.05695	1.6
133.02859	2.2
133.06490	19.7
134.03619	1.4
134.07269	1.1
135.04402	2.5
135.08043	3.9
137.05983	9.1
139.03964	0.4
139.07498	1.0
145.02834	0.7
146.03592	1.3
147.04407	1.0
148.05183	1.9
149.05975	21.7
150.06758	13.1
151.02092	0.7
151.03940	1.0
151.07558	5.4
151.81870	0.5
152.08344	0.4
153.01849	0.8
153.05473	1.4
153.09111	5.2
160.05225	0.4
161.05975	4.7
163.03862	1.8
163.07536	2.0
165.05457	3.4
165.09120	14.2
166.06326	0.7
166.09512	0.6
167.03355	0.6
167.07037	10.8
168.07457	0.4
177.05466	12.7
178.06213	1.5
179.01649	0.9
179.07013	2.4
180.07806	0.7
181.08585	11.1
182.08897	0.6
191.06967	3.3
192.07782	1.3
192.35851	0.4
193.08595	59.4
194.08919	2.6
195.06474	1.0
197.08055	2.8
197.11806	0.6
209.08080	77.4
210.08444	3.8
211.09644	100.0
212.09959	4.3
270.48352	0.4
295.10510	0.4
297.95068	0.4
301.07416	7.7
313.07489	1.7
371.14993	0.7
391.17319	1.4
403.17606	1.0
687.28131	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.6
55.01859	1.0
65.03929	2.7
67.05500	1.0
69.03415	2.1
71.05005	0.8
71.32935	1.4
78.04688	1.1
79.05476	0.8
81.03407	5.1
85.02901	2.7
91.05471	1.2
93.03387	1.9
93.07022	0.7
95.04971	2.3
97.02897	1.3
103.05452	1.1
105.07029	2.4
107.04933	2.3
108.02081	1.0
109.02895	2.4
110.03606	0.9
110.07258	0.7
111.04446	6.1
115.05447	1.0
121.02869	0.9
123.04439	4.4
124.05220	0.9
125.05968	3.9
127.03891	1.7
133.06456	2.3
135.04408	4.3
137.05963	5.7
139.03894	0.8
141.05479	2.0
151.03897	100.0
151.04964	6.7
152.04182	4.2
153.01801	5.1
153.05412	0.8
161.05910	2.1
163.03893	0.8
163.07555	1.7
165.09096	0.8
167.07031	92.4
168.07352	4.1
168.08681	0.7
169.04973	8.7
181.04961	6.9
181.08548	2.4
182.05339	1.2
189.09099	1.0
193.08632	5.8
195.10100	1.3
205.04532	0.9
211.09628	18.9
295.08020	3.9
313.09137	9.5
332.19119	0.8
361.13004	1.1
372.42532	0.8
407.73108	0.8
435.24234	0.8
722.12799	1.7
723.23712	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.2
55.01874	5.0
55.05507	12.5
57.03432	9.4
57.07049	0.6
59.04992	1.7
59.89877	0.7
65.03947	0.7
67.05506	13.2
69.03420	2.1
69.07050	3.3
69.22478	5.1
71.01353	0.8
71.04977	2.3
79.05492	16.9
81.03413	43.7
81.07052	14.9
82.03751	0.7
83.01351	3.6
83.04982	7.4
83.08610	11.7
85.02904	2.3
90.06532	0.6
91.04929	1.4
91.05468	15.6
93.07041	15.8
93.07600	1.2
95.04967	15.1
95.08605	7.1
97.02877	2.8
97.06517	2.9
97.10139	5.1
99.08117	0.8
103.05462	1.4
105.07020	11.3
107.04955	7.7
107.08585	10.0
109.02884	1.3
109.06486	5.2
109.10135	3.7
111.04434	1.6
111.08052	4.4
112.80253	0.6
115.05480	1.6
117.07005	5.1
119.04982	1.2
119.08566	8.6
120.81773	0.7
121.06498	4.6
121.10129	5.9
123.04399	1.1
123.08079	4.2
123.11671	0.8
125.09599	4.2
128.06190	1.0
129.06998	6.2
131.04933	1.1
131.08546	6.9
133.06500	1.9
133.10149	3.8
135.08087	2.4
135.11665	6.0
137.05948	1.5
137.09595	1.3
141.37332	0.9
142.07739	1.6
143.08559	1.5
145.06461	1.9
145.10117	7.0
147.04419	1.1
147.08014	3.4
147.11656	3.2
149.09663	2.7
151.03911	0.7
153.08992	0.8
153.12737	1.7
157.06461	1.2
157.10077	4.1
159.08028	0.7
161.05965	3.8
161.09741	0.8
163.11157	9.3
173.09567	3.3
175.11130	3.9
176.72682	0.7
178.99651	0.8
181.12259	2.3
185.09695	1.1
187.07539	0.9
187.11279	0.7
189.09070	0.8
189.11145	1.6
191.10695	1.6
193.12221	8.0
195.11723	0.7
205.12213	1.1
209.11725	2.1
211.11311	1.1
211.13268	1.6
213.12723	1.3
227.12799	2.2
231.13846	2.2
249.14967	1.1
257.15472	0.8
265.14398	1.3
267.15900	26.2
268.16266	1.6
269.15289	1.1
271.13269	0.9
273.14798	2.0
283.15393	20.2
284.15637	0.8
287.16458	0.8
289.14359	2.3
337.21707	1.3
355.22650	1.7
365.21191	2.8
383.22116	17.9
384.22443	2.3
386.54922	0.8
401.23129	8.3
402.23688	1.3
403.22452	1.1
419.24292	2.7
431.24155	0.9
439.24615	1.5
457.25809	26.4
457.32230	1.4
458.26038	3.9
461.29303	0.8
475.26883	100.0
476.27234	11.6
493.27899	9.5
517.27423	0.8
723.38977	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.4961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89175	0.2
55.05500	0.5
56.05035	0.8
57.03441	0.7
57.07067	1.1
58.06604	0.4
60.08164	6.5
61.02923	0.5
67.05502	2.4
67.20745	0.2
69.07070	0.7
71.04999	0.5
71.07375	3.9
71.08621	1.0
71.14513	0.2
73.02896	0.2
79.05468	1.1
81.03419	0.3
81.07053	2.9
83.04971	0.5
83.08612	0.7
85.02888	0.3
85.06527	0.3
85.10178	0.4
86.09705	35.2
87.10036	0.7
87.77332	0.2
91.03944	0.3
91.05482	1.0
93.07029	1.0
95.04961	0.3
95.08617	1.2
97.02863	0.4
97.06532	0.3
98.98460	3.6
104.10741	2.8
105.07037	0.6
107.08601	0.8
109.10172	0.9
117.07015	0.2
119.08600	0.3
121.10137	0.3
125.00002	23.6
126.00343	0.3
131.08556	0.5
133.10104	0.8
135.11668	0.5
143.01071	0.3
145.10197	0.3
153.05469	0.3
157.10104	0.2
184.07339	100.0
185.07715	1.9
193.12202	0.2
197.02805	0.2
205.08662	0.4
223.09674	0.4
229.33174	0.2
243.15852	0.5
249.10950	0.7
269.17563	0.4
287.18390	0.6
303.25717	0.2
313.27328	1.6
314.27649	0.4
353.42731	0.2
407.18420	0.3
425.19241	0.3
481.38931	1.5
497.31232	0.3
525.40283	0.9
561.36163	0.3
722.50037	4.0
723.42249	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	723.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.4
51.66732	0.4
52.13715	0.4
52.60248	0.4
53.03947	0.6
55.01880	0.7
65.03924	0.7
66.04711	0.7
67.05497	0.8
69.11687	3.9
79.05474	1.5
81.03407	0.6
81.07060	1.0
91.05472	2.9
93.07047	0.7
94.04182	5.4
95.04984	0.7
103.05475	5.4
105.07027	2.8
107.04948	1.7
107.08520	0.5
109.06512	1.0
115.05406	1.1
115.24154	0.4
117.07029	1.1
119.04967	0.6
119.08554	0.4
121.02881	0.5
121.06512	0.8
122.03655	10.7
123.04407	1.6
128.06239	1.5
128.28824	0.4
129.06964	0.9
131.04927	8.1
131.08563	1.3
133.06477	2.7
135.04433	1.0
135.08044	2.8
135.35945	0.5
137.05974	100.0
138.06337	2.6
140.36995	0.4
141.07004	0.6
143.04950	0.5
143.08537	1.5
145.06441	2.3
145.10159	0.6
147.08029	1.0
149.05986	1.5
151.03893	0.9
151.07541	7.1
153.01839	3.0
153.28975	0.4
154.02234	0.7
157.06496	0.7
157.14778	0.4
159.08006	1.1
160.05174	0.6
161.05980	1.0
162.06575	0.6
163.07536	18.5
163.71049	0.4
164.07930	0.9
165.09109	1.1
167.07059	1.4
168.07481	0.4
171.08093	1.8
172.05287	0.5
173.06071	0.6
174.06839	0.9
175.07553	3.8
177.09109	1.6
178.07776	0.5
181.06393	0.6
181.08568	0.7
182.08975	0.5
187.07510	2.2
188.08275	1.0
189.09087	1.4
191.10683	0.7
193.08466	0.6
195.08128	0.4
195.10156	1.2
201.09142	0.9
203.10640	4.7
205.12309	0.6
207.08073	0.6
210.06703	0.5
211.07500	0.8
213.09088	0.9
219.08075	1.0
221.05887	0.5
221.09621	0.5
221.11708	0.7
223.07568	0.6
225.08926	0.6
233.09645	0.9
235.07530	2.2
236.08173	0.6
237.09143	1.1
238.40244	0.5
239.07031	1.4
241.08630	1.2
247.07703	0.8
249.09100	1.8
251.10580	0.5
253.08701	1.1
255.10268	1.3
261.09113	1.6
263.10590	1.1
264.07974	0.5
265.08630	1.3
267.10199	2.4
269.11676	0.8
271.09689	3.9
273.11279	1.4
275.10699	0.8
279.10132	0.6
285.11243	0.9
293.11765	0.5
295.13269	1.3
297.11087	0.7
299.12787	1.9
305.11752	0.5
325.14252	0.9
397.14633	0.9
401.17493	0.5
408.13065	0.5
425.17374	2.3
429.17010	2.7
430.17258	0.6
431.18280	0.6
457.20248	2.3
461.19681	5.0
479.20703	0.9
489.22644	0.7
513.22961	1.1
531.23157	0.6
587.24121	0.8
607.28137	0.5
619.26794	2.0
651.30219	0.7
655.04224	0.5
723.22870	11.3
723.35303	0.8
724.22369	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4096
Annotation	Myxochromide S1
Peak:m/z	Relative Intensity
52.45527	0.4
53.03945	0.7
54.59534	0.4
55.05516	1.4
57.07059	0.5
63.02388	0.5
67.05511	2.3
69.07075	0.8
71.11295	0.9
78.04699	0.6
79.05509	1.3
79.10543	0.4
81.07053	2.7
83.04980	1.3
83.08638	1.0
86.03114	0.4
89.03377	0.6
89.03912	9.8
89.04443	0.6
91.05493	2.1
93.07039	2.9
95.04932	0.5
95.08617	3.0
97.06519	0.6
99.08105	0.6
102.58945	0.4
105.07024	2.9
106.04193	0.5
107.08590	4.5
109.06526	0.6
109.10167	1.8
117.03378	26.3
117.07015	0.7
118.03700	0.7
119.08582	4.0
121.10119	2.7
123.11717	1.0
123.77411	0.4
124.05164	0.5
131.08611	2.0
133.10132	2.7
134.03615	2.2
135.04416	1.6
135.11703	1.1
137.09624	0.5
143.08551	1.0
145.02846	63.1
145.10121	3.9
146.03139	2.1
147.11685	1.9
149.05968	8.2
149.09639	0.9
149.13292	1.0
151.07550	0.5
156.09297	0.5
157.10132	1.5
158.06093	0.5
159.11684	3.0
161.13248	1.4
163.03922	0.8
171.11703	1.1
173.13275	1.9
175.14828	1.4
177.05469	100.0
177.16333	0.5
178.05823	4.7
183.11729	0.9
185.13335	2.2
186.05394	2.0
187.14870	3.3
189.16397	1.0
197.13283	0.7
199.14792	2.2
201.16397	1.8
203.14323	1.2
205.15892	1.3
211.14746	0.8
213.16335	1.5
215.14290	0.4
215.17921	0.6
217.15849	0.8
219.17415	1.0
225.16341	0.5
233.15335	0.7
245.15202	0.5
249.14758	0.7
370.98160	0.5
394.89450	0.4
405.31573	3.3
406.31842	0.5
407.32910	0.9
423.32648	3.0
433.30740	1.3
448.50964	0.4
451.32065	1.3
469.32980	2.6
633.48486	0.5
651.48926	0.5
723.39612	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	723.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.7
53.58389	0.6
55.01878	1.5
55.05510	2.5
57.03433	2.6
57.07076	7.1
60.08157	3.5
61.02929	6.2
67.05515	6.6
69.01827	2.1
69.02246	4.9
69.03433	4.4
69.07067	2.6
71.05000	2.5
71.07366	2.2
71.08623	3.4
73.02920	5.7
79.05482	4.5
81.03428	2.6
81.07054	7.6
83.01345	0.7
83.05000	1.6
83.08628	3.2
85.02914	6.5
85.06536	1.4
85.10189	2.7
86.09708	15.1
87.10056	3.1
88.04783	0.8
91.03962	3.2
91.05492	3.1
93.07057	4.5
95.08602	8.0
97.02899	7.2
97.10209	1.9
98.98472	2.0
99.04469	2.0
101.02393	2.4
105.07043	2.9
107.08616	2.2
109.02882	1.1
109.10179	2.8
117.07036	1.4
119.08578	1.6
121.06482	1.7
121.10145	2.4
123.11769	0.9
125.00007	12.2
127.03953	2.6
128.33629	0.7
131.08559	2.2
133.10144	2.5
135.08099	1.7
135.11728	3.3
135.27774	0.8
137.06023	0.7
137.09634	1.1
145.10167	1.8
147.08025	1.1
149.09653	1.3
153.05496	5.3
159.08018	1.1
162.06778	1.1
163.07585	1.2
163.11198	2.9
173.13391	0.7
175.07486	1.0
177.09073	1.0
184.07344	49.4
185.04362	1.0
185.07713	7.7
187.15172	0.8
189.09146	1.2
193.08611	1.0
205.08609	10.3
206.08934	0.7
211.09552	0.8
219.10265	0.8
223.09665	6.7
227.12828	1.5
243.08521	2.0
249.11000	15.1
261.11154	0.7
265.10843	0.9
281.15622	0.7
302.34549	0.9
309.15054	0.8
313.27426	2.3
314.27850	1.1
351.19849	1.2
379.18832	1.5
389.17529	1.2
391.99969	0.7
399.37424	0.7
407.18677	3.4
425.19550	10.2
426.19766	1.0
467.19122	5.8
482.38638	0.9
497.30722	8.7
550.97260	0.9
595.46594	1.1
617.27039	1.1
687.32245	1.7
723.42694	100.0
724.43011	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	724.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.5
53.03945	0.9
55.01868	0.4
55.05519	0.3
64.02673	0.3
68.36435	0.3
69.03429	2.3
71.32376	0.5
78.04716	0.8
79.01848	2.7
79.05494	0.7
81.03413	5.1
83.08623	0.3
85.02904	2.5
85.43110	0.3
91.05481	0.7
95.04967	0.4
97.02897	3.2
99.04468	0.5
100.11230	0.4
103.05424	0.5
105.04524	0.3
105.07006	1.8
106.04176	0.5
107.01308	1.1
107.04936	1.1
108.04473	1.1
109.02866	3.4
111.04430	0.3
115.05433	0.6
121.02846	0.6
121.06489	0.6
123.04430	2.7
124.05178	0.7
125.02351	2.4
127.03911	4.7
131.04951	0.8
133.06499	1.4
135.00729	0.3
135.04466	0.4
137.05948	0.9
139.03917	0.4
143.03406	3.3
145.04932	0.4
149.05968	1.0
151.03886	1.0
152.04636	1.0
153.01819	63.7
153.02872	2.5
154.02142	2.0
161.05913	2.2
163.03836	0.4
163.07495	0.7
165.05450	0.3
167.07028	100.0
168.07365	3.9
171.02899	5.5
175.07437	0.4
177.05396	0.3
179.06964	0.6
181.04932	0.9
181.08589	1.0
182.15474	0.3
193.08597	7.7
194.09085	0.3
205.08508	0.7
207.10086	0.8
211.09642	18.8
212.09964	1.2
213.03813	0.3
221.08026	0.4
223.09741	0.4
235.09564	0.9
255.79111	0.3
259.09775	0.4
271.09366	0.3
273.11218	0.4
279.04959	0.4
297.06070	4.6
298.06393	0.5
301.10602	1.0
315.07062	6.2
318.51801	0.3
319.11664	1.0
355.22031	0.3
363.10660	0.7
383.88641	0.3
483.19598	0.4
525.87158	0.4
725.14935	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.5
53.03945	0.9
55.01868	0.4
55.05519	0.3
64.02673	0.3
68.36435	0.3
69.03429	2.3
71.32376	0.5
78.04716	0.8
79.01848	2.7
79.05494	0.7
81.03413	5.1
83.08623	0.3
85.02904	2.5
85.43110	0.3
91.05481	0.7
95.04967	0.4
97.02897	3.2
99.04468	0.5
100.11230	0.4
103.05424	0.5
105.04524	0.3
105.07006	1.8
106.04176	0.5
107.01308	1.1
107.04936	1.1
108.04473	1.1
109.02866	3.4
111.04430	0.3
115.05433	0.6
121.02846	0.6
121.06489	0.6
123.04430	2.7
124.05178	0.7
125.02351	2.4
127.03911	4.7
131.04951	0.8
133.06499	1.4
135.00729	0.3
135.04466	0.4
137.05948	0.9
139.03917	0.4
143.03406	3.3
145.04932	0.4
149.05968	1.0
151.03886	1.0
152.04636	1.0
153.01819	63.7
153.02872	2.5
154.02142	2.0
161.05913	2.2
163.03836	0.4
163.07495	0.7
165.05450	0.3
167.07028	100.0
168.07365	3.9
171.02899	5.5
175.07437	0.4
177.05396	0.3
179.06964	0.6
181.04932	0.9
181.08589	1.0
182.15474	0.3
193.08597	7.7
194.09085	0.3
205.08508	0.7
207.10086	0.8
211.09642	18.8
212.09964	1.2
213.03813	0.3
221.08026	0.4
223.09741	0.4
235.09564	0.9
255.79111	0.3
259.09775	0.4
271.09366	0.3
273.11218	0.4
279.04959	0.4
297.06070	4.6
298.06393	0.5
301.10602	1.0
315.07062	6.2
318.51801	0.3
319.11664	1.0
355.22031	0.3
363.10660	0.7
383.88641	0.3
483.19598	0.4
525.87158	0.4
725.14935	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.9
53.03937	2.5
53.63829	0.9
55.01878	2.9
55.05506	2.1
67.05501	5.5
69.03430	6.1
69.07055	3.9
71.04987	1.7
71.32582	1.1
73.37562	0.8
79.01849	4.2
79.05495	5.7
81.03410	11.4
81.07056	8.3
83.01336	4.0
83.04967	2.7
85.02881	2.4
85.06525	2.5
91.05480	6.5
93.07037	14.8
95.04964	5.2
95.08599	5.3
97.02908	3.8
97.06544	5.4
97.10165	1.2
99.04443	4.3
105.07030	9.6
107.04946	3.6
107.08602	14.3
108.08881	1.1
109.02873	8.0
109.06506	4.1
109.10150	2.2
111.04410	2.0
111.08064	2.9
113.05975	1.7
117.07024	1.9
119.08592	5.1
121.02896	1.7
121.06503	4.7
121.10151	11.9
123.04424	21.3
123.08066	2.3
125.02367	2.4
125.06001	2.8
127.03908	6.8
127.07551	1.6
131.04918	1.9
131.08534	2.3
132.04384	1.3
133.10149	1.0
135.04440	3.7
135.08044	2.2
135.11682	3.6
137.05972	4.3
137.09596	1.2
139.03912	1.2
139.11165	1.5
141.05463	9.8
143.03381	6.1
143.08615	1.3
145.06467	1.1
145.10121	7.2
147.04430	1.6
147.11642	1.5
149.09621	8.0
151.03908	5.5
151.07498	2.9
153.01822	100.0
153.02879	4.3
153.05396	2.4
154.02165	13.3
154.03365	1.6
161.02281	1.2
161.05959	2.7
161.09639	1.2
163.03894	20.2
163.07521	1.8
163.11174	17.5
164.04295	1.1
167.03392	56.2
167.07034	4.0
167.10696	7.6
168.03737	2.4
169.08595	24.6
171.02837	2.1
173.09593	1.2
175.03885	0.9
175.07588	1.2
177.05501	1.4
177.08875	1.0
178.04996	13.4
179.03387	1.0
179.06984	2.2
181.04953	9.4
181.12169	6.2
183.06502	2.0
185.04454	6.6
185.11650	2.1
187.03841	1.8
191.10619	10.4
193.05101	1.1
193.12154	1.2
193.97801	0.9
199.07465	1.4
203.03499	1.7
203.07007	0.9
205.04900	1.3
206.02553	1.2
206.04485	25.0
207.06569	2.2
207.10052	1.2
209.04425	7.5
209.11716	10.9
210.12233	1.1
227.07047	2.7
227.12759	35.9
228.13043	1.7
233.04268	1.2
244.69804	1.0
245.08104	15.8
246.08476	1.0
255.06346	1.1
269.13748	1.3
273.07568	16.6
275.05499	1.5
279.04617	1.3
297.06177	3.2
301.07083	13.0
302.07233	1.2
303.23010	1.4
311.14926	1.0
317.13574	1.7
319.08096	47.1
320.08441	4.0
331.15335	1.4
353.15872	10.0
361.09076	2.0
371.17007	6.1
393.07129	1.0
467.08005	3.8
494.07697	1.2
666.09723	1.1
724.36066	1.6
725.22858	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.9
51.65966	0.6
53.03937	3.6
54.04712	0.6
54.80898	0.6
55.01870	19.1
55.05510	29.1
56.05838	0.7
57.03434	20.0
57.07071	3.3
59.04995	1.3
61.02922	6.0
61.20346	0.6
65.03928	2.4
67.05502	38.1
69.03430	7.3
69.07067	8.0
69.84903	3.1
70.04206	1.1
70.07462	0.7
70.83948	0.6
71.01351	1.7
71.04977	4.5
73.02913	9.3
77.03895	0.6
79.05487	28.3
80.05826	1.3
80.06279	1.6
80.34759	0.5
81.03412	20.0
81.07053	26.8
82.03761	0.9
82.04196	7.4
82.07833	0.6
83.04977	18.8
83.08619	12.2
84.02117	1.8
84.05759	1.3
85.02896	6.6
85.06541	2.4
87.04449	1.2
91.03951	2.1
91.05479	25.1
93.07041	22.5
94.04192	1.5
94.07825	1.2
95.04967	19.6
95.08597	11.6
96.05744	1.9
97.02888	6.9
97.06520	8.2
97.10163	20.5
98.07315	10.8
99.04461	1.3
99.08092	1.4
101.06004	1.0
103.05431	1.0
104.06246	0.6
105.07024	13.4
107.04961	9.4
107.08595	17.5
109.02865	1.5
109.06506	5.0
109.10151	13.3
110.07313	1.1
111.04424	2.7
111.08071	6.2
113.05999	0.9
115.05468	1.5
116.03917	1.4
116.04707	19.9
117.05479	1.2
117.07008	5.0
119.08575	13.7
119.09419	1.2
121.06477	3.4
121.10152	6.2
123.08064	8.4
124.08833	1.0
125.06033	0.9
125.09626	24.8
127.07549	0.8
127.11196	1.9
129.05475	45.4
129.06889	5.4
130.07722	0.8
131.04893	0.8
131.08562	7.6
133.06473	1.5
133.10121	7.8
135.08026	4.1
135.11678	8.3
136.08850	1.3
137.05957	0.9
137.09631	3.2
139.07503	0.8
139.11229	0.7
142.07773	1.1
143.07033	9.9
143.08694	0.8
143.10669	2.2
145.06491	1.3
145.10132	7.4
147.08092	1.7
147.11691	6.4
149.05972	1.1
149.09602	3.3
151.11145	0.9
151.14381	0.7
153.09097	2.9
153.12732	2.9
155.08572	1.0
155.10649	1.6
157.08600	20.2
157.10092	4.9
158.05727	1.4
158.08948	0.8
163.09935	1.0
163.11172	10.1
164.11882	1.0
165.12790	1.1
167.07010	1.3
171.06497	2.9
171.10144	8.6
173.09583	2.1
173.11758	3.9
175.11148	3.8
181.12224	2.9
185.08084	1.3
185.11714	2.3
189.11218	12.9
191.10674	3.5
192.11382	0.8
193.12238	7.3
197.08157	0.8
199.09616	1.4
199.13268	10.4
200.14043	4.1
201.14859	1.4
209.11717	7.7
210.12556	3.0
211.09680	0.7
211.13242	2.9
213.11166	1.2
217.14400	2.6
219.13684	0.7
227.12762	19.4
228.13330	1.4
229.14244	4.1
229.91405	0.8
239.16409	0.8
242.15079	0.9
255.16025	3.2
265.14481	1.0
267.15881	10.9
268.16302	1.0
283.15387	10.0
283.18442	0.7
284.16119	2.5
301.16434	100.0
302.16766	6.9
325.16730	0.9
355.17526	1.4
369.22766	0.9
425.25031	1.3
437.25076	1.1
438.26105	1.3
440.20236	0.7
443.26141	1.5
452.37631	0.7
455.26297	5.7
456.27026	0.8
459.27335	1.6
475.26752	1.2
477.28305	3.1
493.27878	4.9
495.29523	0.8
509.27524	3.8
510.28186	3.5
511.28983	0.9
527.28479	46.4
528.28857	6.0
724.38904	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15071	0.8
55.01871	2.7
55.05513	12.2
57.03440	12.3
65.03918	0.9
67.05500	17.3
69.03429	2.9
69.07071	4.3
69.62318	4.4
71.04988	3.5
79.05492	19.7
81.03416	82.6
81.07057	18.6
82.03761	1.2
83.04976	9.4
83.08613	19.3
85.02897	10.6
85.06547	1.6
91.05476	22.3
92.24147	0.7
93.07040	14.2
95.04964	27.7
95.08595	9.2
96.05293	1.0
97.02890	2.8
97.06528	3.0
97.10178	5.5
105.07025	20.4
107.04934	6.6
107.08588	5.9
109.06516	4.0
109.10159	3.6
111.04453	1.8
111.08073	7.7
113.06021	1.4
115.05447	2.1
117.07006	3.1
119.04984	0.9
119.08579	16.3
121.06511	3.5
121.10150	8.6
123.04383	1.2
123.08079	3.6
125.09608	2.3
127.23917	0.8
128.06279	1.3
129.06995	13.6
131.08580	10.3
133.06516	4.1
133.10123	7.4
135.08047	1.4
135.11697	1.0
137.09610	2.0
142.07787	2.1
143.08592	1.3
145.06482	3.2
145.10139	3.4
147.08076	4.4
147.11682	10.0
149.09605	5.1
151.11198	1.3
157.10112	10.5
163.11169	2.3
165.12782	2.9
171.08008	1.0
171.11722	1.0
173.09608	1.1
175.11176	11.8
181.10165	0.9
183.11681	0.9
185.13283	1.3
189.11176	1.2
191.10692	1.1
193.12236	34.2
193.42061	0.8
194.12555	1.7
197.13239	1.3
203.14436	1.0
211.11397	1.1
211.13268	14.9
212.13623	1.1
213.12697	0.9
223.13260	1.1
229.14342	1.3
230.12871	0.8
249.14903	2.3
255.13847	3.1
259.13306	1.0
267.15906	100.0
268.16245	7.3
273.14905	3.2
283.15601	1.0
285.16943	16.8
323.18835	1.0
326.13867	0.7
341.20898	1.7
349.21661	3.6
367.22656	12.0
368.23157	1.4
385.23694	11.8
386.23874	1.1
403.24850	3.2
415.24728	1.1
418.24921	0.9
420.41940	0.9
433.25818	13.3
434.25952	1.1
441.26453	6.5
445.71600	0.8
459.27393	71.8
460.27692	9.1
477.28442	41.0
478.28781	5.5
501.28503	1.4
519.29694	1.1
617.49902	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	6.4
55.01884	2.1
55.05516	25.1
57.03441	21.2
57.07088	3.3
61.02918	4.8
63.21769	1.3
65.03939	4.4
65.82029	1.4
67.05506	74.2
68.05868	1.6
69.03433	4.3
69.07073	17.6
69.25514	10.8
71.05005	3.6
71.08624	1.8
73.02953	1.6
79.05499	59.0
81.03419	91.5
81.07059	67.9
81.07560	1.9
82.03746	1.9
82.07388	1.7
83.04974	6.8
83.08622	25.6
85.02913	6.7
85.06548	2.7
91.03948	2.8
91.05482	41.8
91.06064	2.2
93.07047	61.5
94.07397	2.7
95.04971	32.0
95.05534	2.4
95.08611	50.0
96.08952	2.0
97.02314	1.6
97.02908	5.3
97.06520	7.1
97.10177	6.5
99.08124	2.2
103.05499	2.2
105.07031	31.6
107.04956	7.7
107.08588	30.4
107.09248	2.4
109.02895	1.4
109.06540	4.9
109.10162	20.0
111.04443	1.8
111.08081	9.9
111.38671	1.3
113.95454	1.6
117.07021	7.7
119.04929	1.6
119.08593	27.3
121.06542	4.9
121.10152	27.4
123.08085	3.8
123.11693	8.1
125.09657	3.3
128.06276	1.3
129.07008	11.0
131.08588	18.8
133.06520	4.7
133.10132	15.3
135.08046	2.2
135.11710	14.1
137.09627	3.5
137.13336	2.2
139.11235	2.0
142.07770	2.6
143.08569	3.3
145.10117	12.5
147.08076	4.5
147.11691	14.3
148.12044	1.7
149.09627	5.3
149.13231	7.1
157.10133	10.3
159.11694	5.1
161.09554	1.8
161.13264	5.3
163.07497	1.8
163.11203	4.1
163.14819	3.8
164.87787	1.4
165.12796	2.8
171.11714	2.2
173.13307	4.6
175.11203	7.8
175.14803	3.3
185.13228	2.2
187.14761	3.5
189.11235	2.8
189.16431	2.2
193.12247	21.1
201.16476	2.6
205.12448	1.5
211.13263	2.2
227.12811	5.7
235.13261	5.2
237.11267	3.4
243.21100	7.3
249.14964	3.0
257.18988	1.8
261.22150	18.8
263.12970	1.8
267.15921	100.0
268.16235	6.0
273.14960	1.5
279.12192	1.8
285.21982	2.5
301.14276	3.0
301.25372	4.0
309.16974	3.3
317.24765	3.6
335.25793	96.7
336.26019	6.7
435.27451	2.1
435.32623	4.7
453.33719	6.6
527.37335	49.6
528.37427	7.1
545.38367	19.7
546.38904	1.8
569.38190	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	725.4438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.9
53.04197	0.3
55.01860	0.8
55.05521	3.1
57.03436	3.4
57.07077	6.4
61.00768	0.3
61.02924	7.7
61.17208	0.3
65.03950	0.4
67.05499	9.0
68.73981	0.3
69.03426	5.3
69.07063	4.0
69.09757	3.0
71.01338	0.4
71.04994	1.2
71.08630	4.1
73.02915	5.7
79.05489	5.8
81.03416	4.3
81.07053	11.1
81.12778	0.3
82.07413	0.5
83.04991	1.6
83.08616	3.4
85.02901	8.6
85.06532	0.5
85.10188	2.7
86.09695	0.5
87.04460	0.6
89.74835	0.4
91.03953	4.7
91.05470	4.0
92.05804	0.4
93.07050	5.9
95.04976	1.3
95.08604	8.2
97.02897	7.1
97.06532	0.7
97.10177	1.4
99.04473	1.4
99.08098	0.5
101.02389	2.7
103.03941	0.9
103.07629	0.4
105.07029	2.9
107.04920	0.5
107.08607	3.0
109.02886	1.1
109.06522	0.6
109.10158	4.0
111.04440	0.4
111.08118	0.9
115.03926	0.5
117.07025	0.9
117.68598	0.3
119.08577	2.3
121.06541	0.3
121.10135	2.5
123.11730	1.6
127.03912	2.5
129.07002	0.5
131.08592	1.3
133.10187	2.0
135.11702	1.0
145.04988	0.4
145.10083	0.8
147.08160	0.4
147.11693	0.8
149.13303	1.3
157.10117	0.4
159.11725	1.1
163.07668	0.4
175.11171	0.4
179.07053	0.4
184.07381	1.0
184.35419	0.4
185.04279	0.6
193.12253	0.7
195.13806	0.6
235.20639	0.4
243.08372	2.7
251.12662	1.5
261.22177	0.6
269.17480	4.2
291.19589	0.4
307.15213	0.5
313.27475	1.3
335.25705	4.5
469.20563	3.7
497.30798	8.8
498.31644	0.8
529.38885	5.6
669.91229	0.4
725.44385	100.0
726.44672	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	726.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67108	0.1
51.02377	0.5
52.02857	0.1
53.00300	0.2
53.03936	0.5
55.01866	0.4
55.05513	1.6
57.03438	0.8
57.07069	0.3
58.06583	0.1
59.04987	0.3
60.08152	0.2
61.02920	0.2
65.03946	0.2
65.17214	0.1
67.05506	2.9
69.03433	1.2
69.07063	1.2
70.49399	0.4
71.01354	0.1
71.04977	0.5
79.01853	3.7
79.05494	1.7
81.03417	4.3
81.07053	2.5
82.07395	0.2
83.04984	1.1
83.08617	1.2
85.02910	1.1
85.06530	0.3
85.43732	0.1
86.09702	1.5
87.00849	0.2
87.04440	0.1
91.05476	2.2
93.07048	2.0
95.04967	1.7
95.08600	1.5
97.02892	1.9
97.06515	0.5
97.10173	0.8
98.22610	0.1
99.04464	0.3
99.08070	0.2
103.03959	0.2
103.05453	0.2
105.07034	1.5
107.01334	1.0
107.04935	0.6
107.08614	1.5
109.02879	1.9
109.06506	0.4
109.10160	2.0
111.04404	0.3
111.08061	0.5
113.05997	0.2
115.05405	0.2
117.07024	0.4
118.04182	0.1
119.08574	1.2
121.06494	0.4
121.10139	1.6
122.10465	0.2
123.00810	0.2
123.04423	0.3
123.08082	0.5
123.11709	0.5
125.00008	0.8
125.02343	2.6
125.09599	0.7
127.03896	2.1
129.07001	0.5
131.04916	0.3
131.08582	1.1
133.06537	0.2
133.10153	1.0
135.00711	0.1
135.04457	0.1
135.08028	0.2
135.11713	0.7
137.05980	0.4
137.09601	0.4
137.13242	0.1
143.03400	5.0
143.08528	0.1
145.10110	0.6
147.08098	0.2
147.11679	0.9
149.09630	0.7
149.13232	0.2
151.03905	0.3
151.07573	0.2
151.11174	0.2
153.01826	100.0
153.02870	4.6
153.12753	0.3
154.02176	2.7
154.03394	0.3
157.10139	0.7
159.04440	0.4
159.11754	0.2
161.06073	0.2
163.11209	0.4
165.12750	0.2
167.07042	0.4
167.10672	0.3
171.02873	3.5
173.11732	0.3
175.07562	0.2
175.11177	0.5
175.15012	0.2
177.00589	0.1
177.05461	0.3
181.01364	0.2
181.04900	0.2
184.07349	4.7
191.10721	0.2
193.12222	1.6
194.12549	0.2
199.13380	0.2
201.21396	0.1
205.04961	0.4
207.13776	0.2
207.17453	0.4
209.11836	0.1
209.18970	0.2
211.13297	1.9
215.03442	0.2
225.18469	0.4
227.12686	0.2
229.14313	1.7
233.04456	0.9
237.04007	0.2
261.03906	1.0
267.15921	2.4
269.17444	0.2
279.05048	0.9
283.15427	0.4
285.16931	1.3
287.14911	0.9
297.06052	4.9
298.06247	0.2
301.16461	0.3
349.23853	0.2
381.14648	0.2
421.26041	0.3
435.27499	0.1
439.26740	1.0
449.07077	0.3
461.28900	0.3
467.08228	3.9
468.08328	0.3
479.26462	0.6
493.27649	0.2
511.28763	0.5
676.34503	0.4
726.38446	0.5
727.42719	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3904
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.4
53.03945	7.0
55.01876	7.8
55.05513	57.4
57.03188	2.0
57.03441	26.8
57.07064	2.4
59.04993	6.4
61.02933	7.0
63.21490	1.3
65.03945	5.5
67.05505	100.0
68.05840	3.2
69.03436	10.5
69.07066	18.3
69.81352	4.9
69.81757	2.7
70.53339	1.4
71.01334	2.4
71.04993	12.9
71.07404	1.3
73.02904	3.3
79.05495	58.1
80.05831	2.0
81.03421	86.2
81.07062	64.8
82.03737	2.2
82.07400	1.7
83.04984	28.2
83.08625	36.2
85.02903	42.9
85.06544	7.0
86.09724	8.1
87.04479	9.4
91.03931	1.7
91.05479	58.0
92.05817	2.0
93.07051	37.4
94.07365	1.3
95.04974	35.2
95.08604	29.3
96.08939	1.4
97.02888	12.0
97.06535	10.1
97.10173	24.2
99.04456	2.5
99.08067	1.9
103.03984	2.3
103.05477	2.6
105.04510	1.9
105.07034	40.9
107.04959	15.6
107.08591	25.9
108.08958	1.8
109.02872	5.5
109.06551	7.5
109.10162	62.4
111.04442	6.7
111.08067	15.1
113.06026	2.2
115.05423	2.4
117.07043	6.0
119.04932	2.5
119.08582	36.1
120.08900	1.9
121.06503	4.4
121.10146	17.2
123.04433	3.0
123.08063	4.8
123.11722	5.6
125.00017	5.6
125.09637	24.1
127.03947	5.0
127.07526	3.3
129.07016	16.6
130.07309	1.8
131.04953	1.6
131.08578	19.2
133.06502	5.8
133.10121	20.2
135.08049	2.9
135.11732	7.1
137.05966	4.3
137.09628	6.5
139.11171	1.8
142.07780	3.7
143.03406	3.6
143.08580	1.6
143.10686	3.3
145.04988	1.6
145.06400	2.2
145.10109	9.2
147.04396	1.8
147.08041	5.6
147.11691	19.4
149.09634	12.6
151.03908	3.8
151.11150	2.4
153.01840	66.5
153.02896	2.3
153.12804	2.2
154.02197	4.0
155.10674	4.3
157.10158	19.4
159.08031	1.6
161.06010	1.9
163.03896	1.9
163.11209	10.3
165.09087	3.6
165.12761	4.2
167.07095	1.9
167.10651	3.2
171.02893	2.5
173.09520	2.4
173.11740	18.6
175.11200	19.1
176.11505	1.8
178.09889	3.0
181.04973	2.3
181.12270	3.6
184.07355	31.4
189.11209	2.0
191.10638	3.9
191.14380	1.7
191.17767	1.9
193.12250	66.3
194.12555	3.7
197.08131	1.5
199.13237	11.3
203.06963	1.7
209.11682	7.3
211.13298	93.8
212.13660	4.7
217.14328	3.0
219.13892	1.9
227.12805	9.7
227.16386	1.8
229.14357	69.4
230.14777	4.1
243.15955	1.8
249.14984	2.4
255.15918	1.7
265.14297	2.1
267.15927	38.7
268.16260	2.4
283.15451	8.3
285.16968	66.4
286.17340	3.9
287.14871	4.9
297.06033	3.6
301.16461	20.6
302.16913	2.0
313.16431	1.7
339.12173	2.6
401.23236	2.3
409.25830	5.3
421.25879	13.1
422.26151	2.2
427.27109	7.2
439.26895	52.8
440.27017	5.9
461.28561	4.3
475.26813	5.2
493.27884	7.9
511.28976	16.7
512.29071	3.6
529.29858	7.8
676.35083	2.6
726.26221	2.4
726.38470	5.9
727.39709	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	726.3903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.6
55.01877	12.5
55.05510	48.9
57.03147	1.5
57.03437	27.8
57.07050	1.4
59.04993	4.9
61.02912	5.1
63.02406	1.5
65.03931	4.7
67.05503	86.9
68.05838	2.7
69.03429	11.7
69.07066	18.3
71.01340	3.5
71.04630	1.5
71.04993	12.4
71.31680	1.6
73.02917	2.9
79.05489	60.0
81.03414	100.0
81.07054	63.5
82.04197	1.6
83.04979	29.3
83.08620	33.7
85.02901	34.4
85.06529	6.6
87.04463	3.6
91.03919	1.8
91.05476	56.4
92.05811	1.5
93.06450	2.1
93.07043	40.2
95.04964	43.3
95.08604	27.9
96.05276	1.4
97.02888	12.9
97.06533	10.5
97.10167	19.3
98.07346	2.1
99.04457	2.6
99.08107	3.0
103.05451	4.7
105.03381	1.4
105.04504	2.3
105.07026	36.4
105.07739	1.9
107.04957	18.4
107.08587	26.4
107.09264	2.0
109.02887	3.6
109.06504	9.5
109.10152	47.4
110.10506	3.4
111.04439	10.8
111.08085	16.4
113.06016	2.6
115.05437	2.0
116.04712	3.6
117.06998	6.7
119.04925	2.7
119.08585	30.3
120.08934	2.2
121.02859	2.5
121.06516	8.0
121.10132	20.4
123.04414	9.5
123.08052	5.3
123.11697	3.6
123.43431	1.3
125.05993	1.6
125.09617	18.7
127.11187	1.3
129.05511	10.2
129.06990	19.0
130.07808	1.5
131.04909	3.7
131.08559	20.5
133.06496	4.9
133.10124	17.7
135.04422	2.7
135.08054	3.8
135.11685	10.2
137.05959	4.8
137.09602	7.0
142.07784	2.4
143.06989	3.2
143.08571	2.4
143.10620	2.0
145.06491	2.0
145.10129	9.2
147.08080	6.0
147.11676	19.4
149.06000	2.6
149.09592	10.4
151.03879	2.6
151.11133	2.0
151.48277	1.3
153.01848	3.1
153.12704	8.5
155.08624	2.1
155.10583	3.4
157.08597	5.3
157.10109	17.1
159.08037	2.4
159.11679	1.5
161.05925	2.7
161.09590	1.6
163.07544	3.3
163.11185	14.1
164.08292	1.7
165.09081	1.9
165.12753	4.0
167.07069	2.5
171.10159	2.0
173.09570	3.3
173.11749	14.2
175.03828	1.6
175.11177	20.1
177.05455	1.5
177.09207	2.0
181.12186	7.8
183.11691	1.5
185.11713	1.6
189.09258	1.2
189.11192	6.5
189.12737	2.0
191.10724	7.1
193.12234	67.9
194.12538	2.5
199.13243	7.4
205.08620	1.5
205.12160	1.9
207.06432	2.1
209.11710	10.1
211.13283	73.0
212.13675	4.0
217.14417	1.7
219.13860	2.1
227.12772	16.4
229.14345	47.6
230.14635	2.3
245.13840	2.3
247.13269	8.1
249.14818	2.1
255.15887	3.3
265.14328	2.1
267.15900	46.2
268.16095	3.6
268.41837	1.3
275.20084	1.4
283.15381	14.1
285.11374	2.8
285.16956	45.4
286.17270	4.4
301.16449	29.5
309.17142	1.8
321.17026	4.0
349.23758	7.8
358.13583	1.9
365.21442	1.5
383.22141	2.3
409.25522	3.5
421.20502	1.3
421.25943	8.7
427.26843	3.9
439.26892	38.3
440.27209	4.3
447.27383	2.1
465.28061	2.4
475.26678	7.9
476.27969	1.7
493.27966	18.8
494.28354	3.8
511.29074	12.6
512.28845	1.9
529.30145	1.9
691.90411	1.7
726.24976	2.4
726.38226	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.9
55.01873	3.2
55.05509	9.9
56.52665	0.7
57.03439	8.8
57.07071	1.0
58.09018	0.8
59.05006	1.4
61.02937	2.6
63.02367	0.8
65.03936	2.2
67.05502	42.6
68.05829	1.4
69.03416	4.2
69.07063	6.4
71.04991	13.8
73.02914	1.5
74.44917	0.8
79.05489	20.9
80.05841	1.1
81.03412	27.7
81.07052	26.4
82.03751	1.4
82.07372	1.3
83.04967	4.6
83.08619	11.2
85.02924	4.2
85.06542	3.3
86.09696	1.9
87.04414	0.8
91.03934	1.2
91.05476	23.0
93.07043	22.7
93.07611	1.5
94.07396	1.4
95.04964	16.6
95.05535	1.2
95.08607	11.1
97.02920	2.9
97.06547	3.5
97.10162	6.1
99.08101	1.6
103.04044	0.8
103.05496	1.3
105.07021	12.7
107.04945	11.0
107.08591	13.3
109.02877	1.0
109.06522	9.3
109.10153	24.6
109.10894	1.3
111.04433	1.6
111.08102	3.6
117.07001	5.1
119.04916	1.1
119.08577	14.5
121.06512	8.3
121.10158	10.1
123.04403	1.5
123.08086	3.5
123.11708	2.2
125.09631	5.4
127.05564	0.8
129.05473	1.5
129.06998	5.8
131.04996	1.4
131.08566	9.0
133.06502	2.5
133.10120	8.4
135.08052	6.8
135.11694	7.5
137.06003	2.7
137.09628	5.1
139.11183	1.5
141.06984	1.8
142.07750	2.0
143.08575	2.7
145.06479	3.2
145.10117	6.5
147.08051	2.4
147.11687	5.9
149.09659	3.1
149.13283	1.9
151.03934	2.1
151.07635	1.4
151.11188	2.1
153.09106	0.9
155.08606	1.3
157.08916	0.9
157.10088	5.5
158.10681	1.1
159.11722	2.2
161.06010	1.4
161.09605	2.4
161.13298	2.0
163.11174	5.6
163.14883	0.8
164.08212	1.0
165.12802	1.3
167.07071	1.5
167.10683	1.6
169.10103	1.6
169.12263	1.3
171.08029	0.9
171.11780	1.3
173.09608	1.2
173.11768	3.8
173.13307	3.3
175.11191	4.3
175.14816	0.9
177.08966	0.8
181.12244	1.1
185.09477	0.8
185.13358	1.9
187.13229	1.0
187.14842	1.3
189.09311	1.1
189.11241	2.6
191.14276	1.8
193.10373	1.1
193.12189	7.8
195.11591	1.1
201.12767	1.5
203.10629	1.2
203.14348	1.2
209.11685	1.6
211.13289	2.3
215.14273	1.1
219.13847	2.9
221.15413	0.9
227.12807	1.8
228.84476	1.0
229.14386	2.3
230.15117	0.8
231.13800	0.9
243.08461	0.8
243.16006	2.3
249.14925	2.1
253.14439	2.2
255.15924	2.2
267.15887	16.1
268.16309	3.1
269.17422	3.4
275.16431	1.1
283.15515	1.3
285.17047	2.0
287.18536	2.4
301.21683	1.9
311.20087	0.9
329.21130	5.0
343.35693	0.9
351.25177	1.3
355.22830	2.6
391.25110	0.9
399.14410	1.2
403.24625	5.4
411.25177	1.1
421.25812	16.8
422.26080	2.2
425.25488	1.0
426.26260	1.0
429.26404	9.7
443.28122	0.9
444.27530	1.2
447.27414	100.0
448.27856	11.8
453.28195	1.0
456.99921	0.8
461.28970	8.0
463.26825	1.0
465.27911	1.1
477.28949	1.3
479.29971	7.6
497.31427	1.1
511.29550	1.1
546.30389	2.2
564.31598	7.5
573.31067	1.2
597.26825	1.4
726.37140	6.3
727.33954	8.9
757.58746	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4778
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.0
55.01876	2.5
55.05515	15.5
57.03439	18.4
57.07064	3.6
61.02926	3.9
65.03944	3.3
67.05503	76.2
68.05843	1.3
69.03398	1.2
69.07065	24.5
71.04985	6.0
73.02917	1.9
73.89511	1.0
79.05491	54.5
80.05808	1.1
81.03415	1.8
81.07055	90.4
83.04969	5.4
83.08624	14.2
85.02898	3.5
85.06544	4.9
89.93104	1.0
91.05475	25.3
92.98154	1.0
93.07042	72.6
94.07377	2.2
95.04976	6.0
95.08604	44.1
96.08928	1.1
97.02912	2.3
97.06541	9.0
97.10192	3.3
98.22573	1.7
99.08089	3.6
105.04518	2.9
105.07031	14.2
107.08593	38.7
109.06487	1.6
109.10146	13.3
111.08095	5.8
111.11705	1.2
117.07008	9.5
119.08581	8.8
121.10148	24.9
123.11665	4.9
125.09597	1.1
131.08565	12.2
133.10112	10.3
135.08150	1.6
135.11688	12.8
137.09674	1.6
138.50301	1.0
139.11134	1.7
145.10103	4.8
146.22829	1.0
147.11661	5.2
148.18068	0.9
149.09618	1.3
149.13249	32.1
159.11673	14.7
161.13313	3.4
163.14917	1.7
167.14273	1.2
173.13272	2.5
177.12698	4.6
177.16435	1.3
179.41763	1.0
187.14838	1.2
195.13791	11.6
243.21173	3.5
246.78850	1.0
261.22137	10.8
267.16003	1.5
269.17462	100.0
270.17813	7.5
313.50977	1.1
317.24655	2.5
322.70892	1.1
328.97180	1.1
335.25781	64.7
336.26352	5.3
437.34268	2.1
455.35135	1.2
529.38861	93.0
530.39203	14.5
596.24176	1.0
726.44788	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	726.4779
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.7
55.01873	1.4
55.05260	1.5
55.05509	16.2
57.03439	13.5
57.07069	2.2
61.02916	3.6
65.03934	2.5
67.05502	65.2
68.05798	1.2
69.03426	2.0
69.07066	18.4
69.93132	2.9
71.04993	3.5
73.02908	1.7
77.03967	0.8
79.05490	38.2
80.05793	1.0
81.03427	2.2
81.07052	69.3
82.07378	1.1
83.04969	3.5
83.08614	12.3
85.02922	4.1
85.06535	2.4
91.03973	1.3
91.05476	24.9
93.07042	49.6
94.07389	1.0
94.52244	0.8
95.04957	4.2
95.08602	36.6
96.08971	1.3
97.02879	2.0
97.06532	5.6
97.10160	3.1
99.08087	2.1
105.04482	1.1
105.07023	11.6
107.04948	0.9
107.08590	27.3
108.81268	0.8
109.06531	1.0
109.10146	13.0
111.08070	2.7
117.07014	8.4
119.08582	7.1
121.06511	1.5
121.10133	16.9
123.11686	7.2
125.09638	0.9
131.08569	9.9
133.10124	14.4
135.08093	1.7
135.11676	11.6
145.10121	3.7
147.11694	5.3
149.13264	13.9
155.97047	1.0
159.11690	8.6
161.13260	3.1
163.14807	2.5
165.12656	0.8
171.11781	0.9
173.13272	2.7
177.12787	3.1
187.14888	1.8
195.13765	10.1
201.16568	1.4
209.01735	0.8
213.14767	1.3
217.19592	0.8
221.20868	0.8
233.22418	0.8
243.21083	3.6
249.18686	0.9
261.22162	10.4
267.16034	1.1
269.17459	62.0
270.04889	0.8
270.17804	3.6
317.24719	2.5
335.25781	100.0
336.26193	8.3
416.16705	0.9
437.33981	2.2
455.35056	1.2
473.35989	0.9
511.37491	1.4
529.38843	86.3
530.39056	13.6
547.40088	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
61.47295	0.6
62.56890	0.6
69.03974	1.4
69.04372	5.6
70.34481	0.7
91.05490	0.8
98.23348	1.3
105.07030	0.7
123.04413	2.5
131.04886	0.8
135.08060	0.7
137.05992	2.2
147.04449	1.0
153.01910	0.9
161.05986	0.7
161.09665	0.6
163.07579	0.9
167.07069	0.9
175.03676	0.8
176.72646	0.6
189.05212	8.5
202.05960	1.1
203.06967	1.1
205.04744	0.8
213.05478	1.1
215.06931	1.0
216.07574	2.7
217.08289	3.3
219.06345	2.3
231.06494	2.0
232.07047	0.8
233.07811	5.7
234.08621	15.5
235.09251	0.6
247.09520	4.2
305.06265	3.2
342.81555	0.7
361.07138	1.1
363.08652	1.6
415.17142	0.9
445.18503	3.6
485.14090	8.5
494.10077	1.1
499.15744	21.1
500.16171	2.8
515.15338	1.1
617.14325	1.6
681.16412	0.9
727.25641	100.0
728.25934	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	727.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70359	0.5
71.33000	0.9
77.90081	0.6
81.03448	0.6
95.04945	0.9
95.08590	0.7
98.35687	0.6
107.04968	0.7
123.04415	3.6
137.02357	1.5
137.06013	1.3
137.09572	0.7
145.41238	0.5
149.05989	0.6
151.03870	0.7
163.07574	0.6
167.07094	1.0
185.06097	0.7
189.05220	15.5
193.53932	0.7
199.40724	0.6
203.06766	3.3
204.07587	2.3
205.04732	3.2
217.08344	4.6
231.06602	1.4
233.07936	0.9
243.06665	0.9
327.60568	0.6
335.07373	1.7
355.19690	0.6
361.07147	1.9
377.10110	0.7
387.76450	0.7
399.14285	1.3
413.15405	0.6
414.16534	1.6
415.17166	6.9
416.17679	0.8
425.15900	0.8
447.33899	0.8
479.10477	0.7
483.10690	1.3
507.10797	1.0
515.15277	2.4
529.16730	5.9
530.17419	0.8
545.16235	0.9
591.81067	0.7
597.60565	0.7
617.14648	2.0
727.25690	100.0
728.26080	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	727.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.1
55.01871	1.5
55.05496	4.9
56.96560	1.6
57.03423	2.8
59.04998	1.7
61.02937	1.2
63.71994	1.4
67.05499	16.2
68.05840	2.3
69.03417	1.3
69.07051	4.0
71.04978	3.8
71.32756	1.8
79.05495	7.2
80.05815	1.8
81.03418	11.2
81.06713	1.0
81.07056	10.8
83.04970	2.8
83.08595	4.8
85.02889	2.8
85.06532	2.0
86.09684	2.2
91.05482	9.5
92.05820	1.9
93.07044	9.0
94.07367	1.5
95.04977	5.8
95.08594	6.0
96.05315	1.4
97.02873	3.6
97.06531	2.7
97.10159	2.4
105.07027	5.6
106.07410	1.3
107.04976	3.2
107.08569	5.5
109.06505	3.4
109.10129	9.2
110.10383	1.6
119.04934	1.3
119.08559	5.3
121.06495	3.6
121.10137	4.4
123.08063	1.8
123.11669	1.9
125.09641	1.9
129.07019	1.8
131.07602	1.1
131.08549	3.8
133.10132	4.8
135.08107	2.3
135.11679	3.8
137.05931	3.0
137.09589	2.7
139.27531	1.2
145.10106	1.4
147.11665	2.5
151.03886	2.5
151.07465	1.9
153.01942	1.5
157.10118	1.6
159.11623	1.3
160.11928	1.4
161.05930	2.3
163.11159	4.1
165.12691	1.2
167.07050	1.8
173.11697	1.5
173.13216	1.6
175.11174	1.4
191.14320	1.4
193.12161	2.1
214.64851	1.2
217.00980	1.3
229.14426	1.5
267.15845	5.1
268.16165	2.5
269.17365	1.3
272.95258	1.2
285.10239	2.3
310.53104	1.2
317.06378	3.1
327.12454	1.3
351.11731	1.8
368.12512	1.2
381.12860	1.5
389.08362	4.2
401.15494	5.3
403.24664	1.5
421.25684	3.2
422.26071	4.4
429.26105	1.5
430.26419	1.9
445.14316	1.7
447.27402	17.9
448.27731	21.0
449.27844	1.5
461.29034	1.9
462.29251	1.9
465.21942	2.2
466.76038	1.5
467.18262	1.4
471.16571	2.4
473.17386	1.9
480.29895	1.9
483.15863	1.4
485.17386	2.2
486.18481	2.7
513.17499	1.8
514.17780	2.7
529.23578	3.3
542.17456	1.8
555.18274	1.9
597.26660	11.4
598.27527	2.3
625.25574	4.4
637.31549	2.2
655.26648	1.5
667.25354	1.7
681.29285	3.0
682.29199	2.0
709.28656	2.6
710.28357	2.4
727.28931	100.0
728.29486	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	727.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.8
55.01867	0.8
55.05519	2.1
57.03432	2.0
59.05001	0.9
61.02921	5.2
67.05503	3.2
69.03433	3.6
69.07069	1.1
69.81419	1.6
71.01363	0.6
71.04990	1.7
73.02913	2.9
75.41133	0.3
79.05502	3.1
81.03417	4.1
81.06622	0.5
81.07056	4.3
83.01344	0.4
83.04986	1.8
83.08614	1.7
85.02913	4.9
85.06541	0.7
86.09694	0.4
87.04465	0.5
91.03954	2.8
91.05473	3.9
93.07040	4.0
95.04979	2.2
95.08605	2.7
97.02894	3.6
97.06535	1.3
97.10175	0.6
98.23331	0.4
99.04470	0.7
99.08086	0.3
101.02395	1.7
103.03955	0.7
105.07032	2.5
107.04942	0.9
107.08599	3.1
109.02905	1.1
109.06546	1.5
109.10192	1.6
111.04429	0.4
111.08115	0.8
115.03976	0.4
117.07033	0.8
119.08598	2.3
121.06523	0.6
121.10145	2.7
123.04411	0.3
123.08091	1.0
123.11732	0.8
125.06006	0.4
125.09612	0.8
127.03927	1.5
128.06235	0.4
129.05577	0.5
129.06995	0.7
131.08597	1.7
133.10068	1.7
135.08109	0.5
135.11723	1.4
145.10136	1.7
147.08066	0.4
147.11716	1.0
149.09596	2.4
149.13284	0.6
151.11221	0.5
157.10164	1.3
159.11810	0.4
161.13274	0.4
163.11179	1.8
171.11787	0.4
175.11208	0.7
184.07359	0.9
185.04065	0.4
189.12845	0.4
191.14333	0.4
193.12231	1.7
203.05254	0.4
207.13858	0.9
225.14879	0.7
232.64763	0.3
243.08493	2.3
256.16052	0.3
267.15875	0.7
283.15228	4.4
305.13724	0.4
339.17960	0.9
447.27182	0.5
448.28061	0.9
462.80771	0.3
465.28287	0.4
467.18915	8.6
468.19543	0.8
469.20593	0.5
480.09479	0.4
501.23044	9.6
502.23813	0.8
555.18152	0.4
565.30475	0.5
695.32745	0.4
727.35052	100.0
728.35413	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	728.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34182	1.5
54.24733	1.5
55.01872	1.4
56.43719	1.4
57.65211	1.3
64.35731	1.3
65.03909	1.7
67.05499	2.6
70.37852	4.8
79.05465	1.8
81.07039	1.6
86.09703	4.1
91.05466	3.2
95.08580	3.3
103.05444	2.8
105.07002	3.5
119.04934	3.9
123.04433	2.1
126.31758	1.5
131.04909	2.9
137.05933	3.1
147.04404	4.7
149.06001	3.4
151.03819	2.0
161.05984	3.4
167.07031	6.4
171.08023	1.6
177.05414	3.9
179.06976	2.9
179.08493	1.6
181.35568	1.6
184.04950	1.6
190.07770	1.8
191.07065	4.6
191.08694	1.7
199.07538	3.5
202.07782	4.7
203.08545	5.2
205.06532	2.2
207.08049	1.8
215.08496	3.1
218.07274	4.2
219.08090	8.3
220.08759	3.6
221.09373	1.8
230.07379	2.6
231.08023	9.8
232.08795	6.3
233.05901	3.1
233.09598	4.9
234.06592	3.2
235.07439	3.9
237.09064	2.8
245.05946	1.7
246.06667	3.5
247.07597	8.3
248.08302	8.4
249.09129	10.1
250.06384	1.6
250.09741	2.1
251.06902	2.6
253.08655	2.1
258.06714	1.9
259.07468	7.5
260.08179	4.6
261.05392	7.7
261.09143	8.5
262.06284	2.2
262.09952	2.4
263.07050	3.6
263.10590	4.8
265.08575	9.4
266.09225	3.5
273.09058	7.7
274.06277	2.7
274.09375	1.7
275.07089	4.0
276.07813	29.4
277.08572	10.8
278.09399	2.6
279.10327	2.7
288.07730	2.6
289.08395	8.8
290.06018	2.2
290.09341	8.2
291.10159	17.0
292.10623	2.6
293.08148	7.0
293.11334	1.9
294.08710	4.4
295.09595	1.6
301.08383	4.8
303.10178	1.6
304.07468	6.9
305.08084	5.5
306.08789	2.2
307.06116	1.6
307.09543	4.2
308.10327	7.9
309.11102	5.1
309.42694	1.8
319.09598	44.0
320.10309	9.6
321.11142	8.3
322.08173	2.2
323.12729	13.9
325.10651	2.5
333.11029	4.5
336.09897	7.4
337.10352	4.7
343.08139	1.8
351.12247	100.0
352.12671	13.6
353.13718	5.7
361.10757	2.6
368.12439	3.5
374.42572	1.8
379.11789	33.5
380.12149	3.8
383.14926	9.9
384.15256	2.0
411.14337	67.6
412.14951	7.1
541.18146	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	728.4488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.2
56.05040	1.0
58.06348	0.2
58.06622	0.5
60.08162	5.9
61.52465	0.1
67.05514	0.7
69.03427	0.1
69.07047	0.2
70.06571	0.2
71.07372	3.5
71.32483	0.1
72.25635	0.1
79.05484	0.5
81.07059	0.6
83.88235	0.1
85.06553	0.2
86.09703	30.0
87.10043	0.7
91.05478	0.4
93.07037	0.5
95.04958	0.2
95.08612	0.5
98.97822	0.2
98.98462	3.5
104.10739	2.3
105.07022	0.4
107.04964	0.1
107.08582	0.3
109.10139	0.4
119.08593	0.2
121.10130	0.2
124.99998	20.9
128.60423	0.1
130.85426	0.1
131.08508	0.2
133.10115	0.3
135.08032	0.1
137.05933	0.1
143.01067	0.2
145.10109	0.2
147.11641	0.2
166.02594	0.1
169.02530	0.1
171.11674	0.1
179.98341	0.1
184.07335	100.0
185.07710	2.1
350.45822	0.1
409.97910	0.1
468.23230	0.2
500.31250	0.2
508.47556	0.1
544.82135	0.1
728.45123	2.1
729.45874	0.6
740.53503	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	728.4574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.0
55.01870	4.8
55.05251	1.6
55.05508	11.9
57.03437	8.2
57.07076	3.3
60.05661	1.6
61.02922	2.9
63.02064	1.1
65.03941	1.5
67.05505	54.8
68.05825	1.9
68.79991	0.9
69.03432	4.0
69.07113	22.9
69.07447	2.2
71.04996	4.1
73.02919	1.9
79.05493	30.1
80.05836	1.2
81.03426	3.5
81.07054	49.3
82.07355	1.1
83.04980	7.1
83.08620	6.4
85.02905	2.4
85.06544	5.4
86.09737	1.7
91.03969	1.7
91.05482	34.4
93.07040	32.6
95.04975	5.8
95.08604	24.1
96.08929	1.6
97.06522	4.9
97.10185	6.0
99.04446	2.5
99.08057	1.5
100.80309	1.0
105.07031	26.2
107.04977	1.5
107.08589	30.8
109.06528	5.1
109.10157	43.8
109.60348	0.9
110.10529	1.2
111.04440	1.1
111.08080	2.6
113.06013	1.6
113.09618	1.0
117.07029	3.6
119.08578	8.6
121.06571	1.0
121.10144	12.1
123.08056	2.9
123.11716	10.5
124.99935	1.0
125.09634	2.6
127.07557	2.8
131.08568	7.6
133.10126	50.5
134.10440	2.3
135.08005	1.5
135.11690	8.1
137.09592	2.3
137.13226	1.9
139.11143	1.3
143.08549	2.0
145.10155	3.8
147.11693	4.2
149.13271	4.3
151.11176	23.5
159.11710	3.1
161.09641	4.0
161.13275	3.4
163.14876	1.8
169.12245	5.7
171.11659	1.4
173.13252	3.9
177.12943	1.2
177.16498	1.7
179.10706	1.8
184.07347	4.1
187.14836	2.1
189.11201	1.5
215.12772	2.7
243.21085	3.9
253.14336	100.0
254.14711	5.2
261.22156	13.6
271.15405	39.5
272.15775	2.2
279.23254	1.4
317.24786	1.9
335.25784	35.3
336.26276	3.3
387.28925	1.0
405.30014	2.7
423.31036	2.2
439.32043	2.3
457.33005	2.2
513.35730	9.6
531.36768	36.9
532.37073	5.2
549.39362	1.3
696.99902	1.2
697.25775	1.1
728.42145	1.2
729.42969	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
55.01873	2.8
55.05511	9.6
55.70742	0.7
57.03439	7.0
57.07069	2.4
61.02932	1.1
63.62898	0.9
65.03929	0.8
67.05503	44.4
68.05813	1.2
69.03422	2.2
69.07072	11.3
71.05006	4.3
76.06194	0.8
79.05496	22.2
81.03419	2.0
81.07055	41.6
82.07355	1.0
83.04980	5.6
83.08624	4.6
85.02892	1.2
85.06521	5.3
86.09711	2.5
89.96810	1.0
91.05479	26.4
93.07040	27.9
94.07407	1.0
95.04951	4.4
95.08602	20.2
97.02891	1.4
97.06531	2.6
97.10183	2.3
99.04477	1.2
99.08091	1.2
105.07027	22.8
105.66596	0.9
107.08590	27.4
108.08929	1.3
109.06515	4.1
109.10159	42.7
110.10529	1.2
111.08096	1.4
113.06004	2.1
117.07024	2.8
119.08598	6.5
121.10139	9.0
123.08028	2.3
123.11703	10.5
125.09646	1.0
127.07566	2.5
131.08594	4.3
133.10129	46.2
134.10495	2.8
135.08061	0.9
135.11697	5.9
136.22014	0.9
137.09572	1.1
137.13264	1.1
139.11183	1.8
143.08525	1.7
145.10109	4.1
146.98169	1.0
147.11705	2.6
149.09576	1.4
149.13266	3.6
151.11174	20.6
152.11530	1.5
159.11755	2.2
161.09569	1.9
161.13278	2.4
163.14873	2.2
169.12257	2.8
173.13255	1.8
174.68588	0.8
175.07413	0.8
175.14853	1.1
179.10724	1.5
184.07356	4.6
187.14813	1.1
201.16304	0.8
213.06502	1.0
215.12790	2.4
235.13368	0.8
243.21141	3.3
253.14339	100.0
254.14671	5.0
261.22134	10.4
262.22617	0.9
271.15387	28.4
272.15723	2.0
279.23193	2.8
317.24747	1.4
335.25784	44.9
336.26129	3.2
439.32001	1.9
447.30743	0.9
457.33200	1.5
513.35651	6.3
514.35962	1.6
531.36798	48.0
532.37231	7.5
545.37915	1.1
669.36700	1.3
728.44128	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.8
55.05516	19.6
57.03434	11.0
57.07068	8.3
61.02942	2.4
67.05505	71.3
69.07070	30.1
69.23209	20.0
71.05009	2.9
71.08638	3.0
76.41276	2.3
79.05486	32.0
81.07053	70.4
83.04984	6.4
83.08620	16.6
85.06558	2.9
86.09705	6.1
91.05468	15.7
93.07042	46.7
95.04965	3.6
95.08602	39.0
97.06544	8.9
97.10174	5.2
99.08090	2.7
105.07023	11.0
107.08607	22.3
109.10160	15.6
111.08103	3.1
117.07007	3.3
119.08574	6.3
121.10124	14.8
123.11724	8.3
125.00034	2.4
131.08560	5.1
133.10130	8.4
135.11716	6.9
139.47632	2.6
141.48036	2.2
145.10132	2.5
147.11618	2.6
149.13229	17.5
159.11694	7.2
161.13184	2.5
184.07310	15.1
186.79243	2.2
187.55905	2.7
195.13750	6.0
214.43852	2.7
229.14490	3.4
255.99142	2.7
263.23672	3.7
269.17471	67.4
270.17844	4.4
313.27258	2.5
337.27341	53.1
338.27621	3.3
531.40417	100.0
532.40741	14.9
655.19617	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	729.196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	5.3
59.70095	1.3
68.99787	8.8
70.64626	3.2
71.01347	1.9
75.66778	1.3
78.18513	1.4
81.03392	3.6
91.05458	1.9
95.04974	3.4
103.05431	1.8
105.03384	4.2
107.04942	4.1
111.04454	1.9
115.05453	4.9
115.80229	1.5
117.03354	2.4
117.06952	1.8
119.04914	1.8
123.04423	63.8
123.76395	1.9
127.03893	3.8
128.06236	3.0
129.06978	4.2
131.04907	1.7
133.02805	7.7
135.04427	9.9
137.02339	23.6
137.03366	3.0
137.05983	7.2
139.03917	1.6
139.05478	2.5
141.06976	5.9
143.04919	2.1
145.06468	2.3
147.04405	6.3
151.03922	2.8
152.06203	2.6
153.07036	3.6
156.99251	1.5
157.06497	6.3
161.05989	2.5
163.03935	1.5
165.07034	5.3
167.04880	1.7
167.07056	3.8
168.05640	2.6
169.06483	12.0
171.04424	3.0
171.07988	1.7
173.05974	5.2
175.03809	1.6
175.07581	2.1
181.05031	1.7
181.06383	6.9
184.05219	2.5
185.05988	32.1
187.07529	2.3
189.05377	2.6
191.06952	1.5
193.06491	2.1
195.08170	1.5
196.05135	1.5
197.05965	25.5
198.06662	2.9
199.07521	4.6
201.05525	2.3
202.07790	5.7
203.08556	6.0
205.06517	1.9
209.05978	3.6
210.06747	4.0
211.07549	5.6
213.05466	29.1
214.05974	3.0
215.07005	6.0
215.08789	3.1
217.10199	3.9
218.07210	1.5
219.07986	3.8
221.05991	16.0
221.09584	2.1
223.07561	3.5
225.05423	14.6
226.06120	4.5
226.08025	3.0
227.06725	10.4
227.08716	4.6
229.04994	5.9
231.06412	63.2
232.06793	4.2
233.09615	2.4
234.06755	2.3
235.07538	3.6
237.05501	2.6
239.06898	14.4
241.05022	6.7
242.05656	3.5
243.06429	26.5
244.06963	2.7
245.09923	9.3
247.07504	5.1
248.08273	3.9
249.05421	9.0
249.09038	6.9
250.06239	8.5
251.06909	3.3
253.04961	24.0
254.05557	3.4
255.06360	54.9
256.07086	4.5
258.06738	7.3
259.07455	6.1
260.08215	2.5
261.09006	5.0
263.07037	6.4
265.04858	2.0
265.08511	2.1
267.06482	47.0
268.07169	6.0
269.08182	5.2
271.07532	9.4
272.08191	4.2
273.09067	28.1
274.09351	1.9
275.07068	3.6
276.07858	5.0
277.08524	13.0
279.06488	5.6
279.09656	1.9
281.08063	1.8
283.07520	3.4
285.09088	5.1
286.06238	3.7
287.06964	6.2
288.07590	2.8
289.08514	10.1
291.10144	3.8
292.07266	2.0
293.08057	3.8
299.06891	5.3
300.07687	2.9
301.08575	65.7
302.08926	6.1
303.06561	3.7
304.07391	7.1
305.07950	4.1
307.09525	3.5
311.06952	2.8
313.08423	7.6
314.09280	1.8
315.06598	2.1
316.07242	4.9
317.07941	9.2
318.08548	1.8
319.09628	16.5
327.06519	3.6
329.08044	58.8
330.08527	9.4
331.09592	5.0
332.06738	26.0
333.07339	3.2
335.08984	1.8
341.08078	4.0
345.07510	19.8
346.07996	3.1
347.09116	75.0
348.09567	7.0
349.10629	1.9
350.07779	2.4
353.08084	2.2
357.07486	3.4
358.08215	1.7
359.09109	12.6
361.06940	3.9
363.08582	41.6
364.09216	6.4
365.10172	59.3
366.10406	5.5
371.09314	2.8
375.08502	9.7
376.09164	1.6
377.10168	100.0
378.10611	9.7
387.08771	4.0
409.10916	2.1
437.10342	4.2
449.10342	2.2
455.11133	5.8
473.12286	24.7
474.12137	3.1
479.11331	3.5
482.09946	2.2
483.10568	2.0
485.12531	2.6
491.11270	3.9
495.10785	4.6
496.11429	4.0
497.12103	4.5
509.12494	8.5
601.14532	4.1
605.14319	3.8
606.15234	12.0
607.15533	3.6
619.15881	22.6
620.16193	3.3
729.17999	8.4
730.19733	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.7
53.03939	0.8
55.01865	2.8
65.03915	0.6
65.62440	0.5
67.05494	0.7
68.99785	6.8
70.49277	1.1
70.49641	1.1
71.01353	0.9
71.22759	0.5
75.31956	0.6
77.03934	0.7
81.03435	2.3
91.05464	1.7
95.04938	1.0
103.05425	0.5
105.03393	7.1
105.06987	0.6
107.04926	2.2
111.04441	1.4
111.14825	0.5
115.05443	5.7
115.47403	0.5
117.06992	0.9
117.96733	0.6
119.08598	0.8
123.04418	41.7
124.04758	1.5
127.03947	2.6
128.06219	1.3
129.07018	3.0
131.04918	1.8
131.08537	1.0
133.02841	30.0
134.03595	0.5
135.04387	5.6
137.02328	18.5
137.03316	0.8
137.05939	2.9
137.06876	0.6
139.05432	2.9
141.06972	20.8
142.07301	1.4
145.06465	4.1
147.04376	2.1
147.07983	1.0
149.02402	0.6
151.03899	0.7
152.06099	1.1
153.06937	1.3
155.04892	3.1
155.06017	1.2
157.06451	6.3
159.08025	1.4
160.05142	0.8
161.05959	1.6
163.03847	1.4
163.07516	0.7
165.06989	1.7
167.04941	2.1
167.06998	1.1
168.05669	1.6
169.06480	29.0
170.06897	1.6
171.04385	1.9
173.05969	9.5
175.07574	0.5
178.07668	0.5
181.06445	3.9
183.04376	2.2
184.05161	0.8
185.05974	22.9
186.06297	1.2
187.03938	0.9
187.07535	4.8
189.05270	2.3
193.06581	0.7
195.04359	1.1
196.05104	0.6
197.05963	52.7
197.18858	0.5
198.06645	7.3
199.07474	2.3
200.04636	0.8
201.05434	4.1
202.06020	0.7
202.07835	0.8
203.08646	0.7
205.04703	1.2
207.04350	0.6
209.05957	1.4
210.06732	0.6
211.03947	1.4
211.07408	2.7
213.05443	19.9
214.06110	1.9
215.06973	17.6
215.08617	1.1
216.07520	2.1
218.07251	0.7
219.08044	1.1
221.05978	6.3
222.06503	1.2
225.05423	19.3
226.06062	4.5
226.07968	0.5
227.06895	3.2
229.04904	4.5
231.06487	57.0
232.06860	3.9
233.07733	0.8
234.08568	1.5
235.07481	0.8
237.05464	3.2
239.06850	4.9
240.07404	0.8
241.04916	7.3
242.05659	4.3
243.06491	100.0
244.07146	18.6
245.08014	2.3
247.07399	2.7
249.05421	3.8
250.06119	2.8
251.06961	1.2
253.04942	9.1
254.05670	2.6
255.06393	15.6
256.06915	1.1
258.06754	0.6
259.07770	1.1
261.09052	2.0
263.07034	1.5
265.05005	1.4
265.08405	0.8
266.05713	1.5
267.06482	21.9
268.07077	2.1
271.07541	3.4
272.08096	0.9
273.09082	2.6
275.06949	1.7
276.07669	1.0
277.08508	1.9
279.06442	2.5
284.08228	1.0
285.09036	1.5
287.07019	3.2
288.07602	0.5
289.08563	4.3
291.06705	0.7
291.12018	3.0
292.07248	1.0
293.07913	2.5
295.07468	1.1
299.06931	2.0
300.07693	1.2
301.08606	4.6
302.09192	0.7
303.06421	1.5
303.10056	1.2
304.07312	0.7
305.08096	3.5
307.09537	1.5
311.06976	1.8
313.08469	3.8
315.06418	1.3
316.07242	1.7
317.08066	6.0
318.08734	1.1
319.06232	0.6
319.09595	1.8
321.07523	0.6
327.06406	0.9
329.08035	10.3
330.08417	0.9
331.09546	2.8
332.06705	0.8
333.07501	1.7
334.08072	1.5
335.09106	0.8
339.06522	0.6
340.06799	0.6
341.07965	2.0
342.08658	0.8
345.07574	8.0
346.08157	1.1
347.09131	5.1
348.09509	1.3
349.10590	1.2
350.07642	1.2
357.07507	4.4
358.08295	1.6
359.09106	7.7
360.09628	1.6
361.06989	5.7
362.07736	1.2
363.08578	25.4
364.09177	3.7
365.10175	28.1
366.10428	2.2
374.08615	0.6
375.08578	23.3
376.09067	4.2
377.10162	41.5
378.10547	4.1
387.08383	1.4
393.11102	0.8
397.10675	0.6
421.10553	0.8
439.12259	1.3
449.10052	1.1
467.11215	4.5
473.12222	16.1
474.12631	1.7
483.10779	3.5
485.12225	10.6
486.12625	2.9
487.13544	1.2
495.10547	1.0
497.12000	1.7
501.20834	1.6
509.11942	1.0
587.12195	0.7
601.14020	0.7
605.14246	3.5
606.14679	2.0
607.15527	1.2
609.94757	0.6
619.15930	8.5
620.16406	1.2
729.19104	5.6
729.30383	13.9
730.19092	1.0
730.30505	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	1.7
51.70690	0.9
52.90665	0.7
53.03940	1.7
53.24221	1.0
54.77535	0.7
55.01220	0.8
55.01860	2.3
65.03931	1.0
67.05489	2.2
68.99786	5.0
71.01377	0.8
77.03912	2.1
81.02241	0.8
81.03419	4.5
82.51490	0.8
91.05463	4.5
95.04951	3.2
105.03383	3.9
107.04947	2.4
111.04443	1.2
115.05448	3.3
116.27607	0.8
117.07078	1.0
119.04939	2.4
122.76207	0.7
123.04421	100.0
124.04745	3.3
127.03906	5.8
128.06216	2.7
129.06998	3.2
133.02840	7.6
135.04442	4.8
135.05284	0.9
137.02338	27.6
137.03403	1.0
137.05965	8.8
139.05405	6.0
141.06976	9.9
143.04930	1.6
145.06497	2.1
147.04402	4.2
152.06282	0.9
157.06490	6.5
159.08084	1.0
161.05954	1.6
163.03899	1.4
165.06976	0.7
167.04909	4.1
169.06468	14.2
171.04372	0.9
172.03430	0.7
173.05991	5.5
175.07556	0.8
180.93997	0.8
181.05045	1.0
181.06485	2.6
184.05147	1.7
185.05966	33.3
186.06331	0.9
187.03862	1.1
187.07573	1.8
190.43251	0.8
191.08585	0.9
195.04388	1.8
195.08058	0.9
197.05962	27.0
198.06551	2.9
199.07460	1.3
209.05952	0.9
213.05444	27.7
214.05925	2.2
215.07028	8.8
221.05948	1.3
225.05428	15.3
226.06177	1.8
227.06900	3.0
229.05127	1.2
231.06500	91.7
232.06818	5.0
234.83638	0.8
237.05464	2.6
239.06917	1.4
241.04968	3.1
242.05629	1.4
243.06462	21.4
243.08693	1.3
244.07176	5.4
245.07922	4.0
247.07581	2.2
249.05382	1.3
250.06187	1.5
253.04904	3.1
254.05672	1.6
255.06433	19.4
256.06995	1.5
259.07489	0.9
263.06958	1.5
266.05850	0.8
267.06268	3.8
271.07489	2.4
277.08517	2.2
279.06445	1.5
283.07544	0.8
287.06958	2.6
289.08682	1.7
292.07303	0.8
293.07968	2.1
299.06879	0.8
300.07855	1.3
301.08606	3.0
303.06491	1.8
305.08038	1.2
313.08545	1.0
315.06348	1.5
316.07251	1.5
317.08060	3.0
319.09457	1.9
320.06784	1.0
321.07687	0.8
329.07974	6.4
330.08762	1.0
331.09729	1.0
332.06320	1.1
333.07452	1.5
335.09189	1.4
341.08054	1.5
345.07645	5.7
346.08142	1.3
347.09024	5.0
353.08109	0.9
357.07529	3.2
358.08292	2.6
359.09140	2.9
361.06995	3.2
362.07809	2.8
363.08560	11.9
364.09213	2.6
365.10345	3.7
369.07520	1.3
371.09473	1.5
374.07660	1.7
375.08664	11.8
376.09290	2.3
377.10269	5.0
385.07065	2.4
386.07840	1.4
387.08649	6.9
399.08734	2.8
421.10657	1.7
425.10538	1.0
433.10663	1.0
439.11810	1.0
449.09976	1.3
463.11624	0.9
467.11115	4.0
473.12372	1.2
479.11404	4.0
481.12781	1.1
482.09760	1.2
483.10617	2.1
484.11465	2.0
485.12314	5.3
491.11151	2.6
495.10605	9.3
496.11411	4.3
497.12201	11.2
498.12708	2.3
499.13403	0.9
509.12225	14.4
510.12396	2.1
583.13641	1.2
587.13171	1.1
589.14276	2.2
601.14691	3.3
605.14172	5.5
606.15070	5.1
607.15851	12.6
608.16138	2.6
619.06335	1.6
619.15942	24.4
620.16632	3.7
686.73627	0.8
729.18866	15.0
729.52356	1.2
730.19965	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	729.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	1.2
51.78577	0.6
53.03938	1.0
55.01861	2.8
55.92078	0.7
55.94984	0.6
67.05492	1.8
68.99783	5.3
71.01349	4.9
71.32954	1.0
77.03922	2.7
79.05463	1.0
81.03400	1.0
89.03875	0.7
89.79286	0.6
93.72551	0.6
95.04955	2.5
98.53330	0.7
105.03368	3.3
105.07065	0.8
107.04957	8.2
109.02847	0.8
111.04453	1.5
115.05488	1.6
115.32032	0.6
119.04944	1.0
123.04424	100.0
124.04751	3.0
127.03883	0.9
128.06250	0.8
129.07002	2.7
133.02853	1.4
135.04410	9.2
136.05191	2.2
137.02342	6.1
137.05965	2.6
139.03862	0.9
139.05428	4.0
141.06982	4.7
145.06453	1.0
147.04396	10.1
151.03922	1.7
153.01834	1.6
153.06969	3.2
157.06482	5.6
159.04140	1.1
161.05972	2.0
163.03888	1.2
165.07025	1.3
167.04915	3.0
168.05652	1.1
169.06476	10.1
171.04379	1.5
171.08076	1.4
173.05992	6.5
175.07565	1.1
181.06490	8.1
183.07986	0.9
184.05161	1.1
185.05966	25.0
186.06374	1.5
187.03876	1.7
187.07509	1.5
189.05348	1.2
197.05980	15.0
198.06526	1.4
199.07494	5.7
201.05504	0.8
203.08629	1.0
209.05963	2.3
210.06812	1.0
211.07530	2.1
213.05452	19.3
213.07515	1.0
214.06104	2.4
215.06979	7.5
216.07545	0.8
219.08034	1.8
221.05981	2.9
223.07512	1.4
225.05438	7.7
226.06064	2.1
227.06909	4.4
229.04950	1.9
231.06493	69.5
232.06920	3.8
235.07487	1.6
237.05487	5.2
237.09094	1.2
239.07042	3.0
241.04979	2.2
242.05594	5.8
243.06471	47.6
244.06908	2.0
245.08038	26.4
247.07709	4.3
249.05428	2.2
250.06078	0.9
251.07173	0.8
253.04948	21.7
254.05653	4.3
255.06485	34.5
256.07056	2.7
257.07986	6.7
258.06641	0.9
259.07553	1.6
260.08450	0.9
261.09128	3.5
263.07074	3.0
265.05063	4.5
265.08594	2.7
266.05618	3.1
267.06479	6.6
268.07166	1.5
269.08160	1.3
271.07764	5.0
273.09140	1.4
274.06271	1.1
275.07034	2.4
276.07599	0.9
277.08624	2.1
279.06552	3.0
285.09006	1.4
287.07239	4.3
288.07770	1.8
289.08615	5.4
290.09326	0.8
292.07254	2.3
293.07962	8.6
299.06979	6.0
300.07797	1.6
301.08545	4.4
302.05789	0.7
302.09033	1.0
303.06387	3.4
304.07224	1.4
305.08087	5.5
306.08716	0.8
307.09570	0.9
309.07608	0.8
311.07007	1.5
313.08521	3.5
315.06503	1.8
316.07272	2.9
317.08041	14.0
318.08636	1.9
319.06049	1.6
319.09647	1.8
325.08401	1.3
326.09210	0.8
327.06506	4.5
328.07123	1.2
329.08026	11.0
330.08578	2.0
331.06061	1.0
331.09650	0.9
332.06747	1.6
333.07642	2.6
337.08609	1.2
340.07352	1.2
341.07983	2.2
342.08878	1.2
343.05780	1.1
345.07523	25.9
346.07950	3.7
347.08929	4.1
349.07001	0.8
351.08704	3.9
353.10669	4.8
357.07495	6.7
358.08389	2.4
359.09033	3.1
361.07031	8.9
362.07935	1.6
363.08594	56.2
364.09134	6.0
365.10172	16.3
366.10129	0.9
369.07544	2.7
370.08496	1.4
371.09167	2.6
373.07123	2.2
374.07599	4.4
375.08588	34.0
376.08865	3.7
377.10220	8.8
379.09677	1.2
381.07544	1.4
382.08560	2.3
385.07050	1.9
386.07925	1.5
387.08591	15.7
388.09064	2.4
389.10309	0.9
391.09982	0.9
395.09064	0.9
396.10156	0.8
399.08572	7.9
400.09149	1.6
403.09869	1.1
407.08817	1.1
411.08667	0.9
417.10947	0.8
419.08945	0.9
421.10757	1.9
425.10123	1.1
433.10800	1.3
445.11078	1.1
449.10291	1.6
453.09332	1.1
461.09836	1.6
463.11734	0.9
465.09918	1.2
467.11432	1.2
468.11377	0.9
469.09158	6.6
470.09802	0.8
471.10553	0.9
473.10638	1.1
477.09256	1.2
478.10336	0.8
479.11246	6.9
483.10681	3.6
485.12292	30.3
486.12512	3.3
491.11053	3.6
495.10687	10.3
496.11282	5.1
497.12253	13.2
498.12787	1.6
499.13928	0.9
509.05121	1.3
509.12277	17.7
510.12527	2.1
605.14270	1.8
606.15283	4.4
607.16101	5.9
608.16467	1.0
619.15839	7.7
620.16290	1.3
729.23334	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	729.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.0
55.05494	1.9
56.96547	1.9
57.03424	2.0
61.02896	2.4
67.05465	2.9
68.70780	0.8
69.03398	3.2
69.07035	1.4
71.04962	1.3
71.31877	1.3
73.02898	2.0
79.05450	3.1
81.06999	3.6
83.04943	1.0
83.08572	1.2
85.02913	4.5
87.04429	0.8
91.03958	1.1
91.05413	3.7
93.06990	3.1
95.04953	1.4
95.08543	3.6
97.02892	3.9
99.04406	1.6
101.02371	1.1
102.11234	0.7
105.06956	3.7
105.07575	0.8
107.04925	1.3
107.08522	3.2
109.06432	1.1
109.10094	2.8
115.03950	0.9
116.81185	0.8
116.99562	0.7
117.04202	0.8
119.08582	1.9
121.10067	2.2
123.04317	0.9
123.07990	1.2
127.03851	1.7
129.06918	1.1
129.69424	0.7
131.04810	0.7
131.08482	3.2
133.06401	0.8
133.10028	2.8
135.11652	0.9
137.05859	2.6
145.10075	1.1
147.11635	1.1
149.09529	1.2
151.03799	1.7
157.10025	1.7
161.05847	1.0
163.03828	1.2
167.06964	1.2
171.11546	0.9
193.08478	1.3
203.06973	1.3
207.06401	1.7
219.10080	1.0
243.08365	2.3
251.12437	1.2
267.08817	2.8
283.08279	1.1
283.14880	1.0
285.09915	3.7
299.12231	0.8
301.08902	1.8
317.06030	3.7
327.12070	1.7
331.07513	1.3
347.39188	0.9
373.10550	1.1
383.14124	1.7
401.15729	4.2
411.14084	4.3
449.22577	1.9
459.15509	2.4
469.20438	4.2
477.07385	0.8
485.17731	5.5
501.16913	4.3
501.22702	1.9
515.18182	1.8
527.17834	1.1
544.19214	6.8
557.19653	2.4
585.22955	2.4
599.27368	1.7
611.26788	1.0
623.83325	0.9
627.27856	6.6
628.28473	6.0
639.28802	2.8
657.29681	1.6
667.29883	1.6
669.27612	1.4
683.30139	2.4
711.29510	1.9
712.29303	2.0
721.62952	1.0
729.30048	100.0
730.30573	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	729.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.0
55.05513	1.7
55.52504	0.6
57.03438	3.3
57.07077	1.2
61.02925	4.8
61.93723	0.6
63.18213	0.6
64.15705	0.6
67.05504	2.5
68.60347	0.6
69.03436	3.9
69.07085	1.5
71.04980	0.9
73.02917	4.1
76.51889	0.6
79.05504	2.3
81.07068	2.9
83.01100	2.9
83.08617	1.5
85.02905	7.9
85.06561	0.7
91.03952	4.9
91.05491	2.3
93.07052	3.1
95.01098	2.6
95.04963	1.2
95.08599	1.6
96.01862	1.5
97.02908	5.7
97.06532	1.0
97.10190	1.2
99.04478	1.1
100.87807	0.7
101.02389	1.5
105.07039	1.8
107.08630	1.8
109.02872	1.4
109.10157	1.0
117.05495	1.5
119.04964	1.8
119.08617	1.3
121.02631	1.6
121.06481	0.9
121.10148	1.6
123.04250	2.0
124.46783	0.7
125.02091	1.7
127.03922	3.4
127.11202	1.4
129.05505	2.3
133.28082	0.7
134.16216	0.6
135.04219	0.8
135.11723	0.8
137.05951	1.5
137.09660	1.3
139.03668	1.0
141.05199	1.0
143.08603	0.7
145.04955	1.3
145.10165	1.7
147.04369	1.1
147.11749	0.8
151.07524	1.6
155.03114	0.8
156.03983	0.9
157.04781	1.8
163.11157	1.1
167.03165	1.8
175.03983	2.3
181.04738	2.2
184.03441	1.7
185.04199	13.7
195.06473	1.0
199.05811	1.3
199.13380	1.2
201.03711	5.9
201.14975	0.8
203.05309	1.2
205.12164	5.2
206.12596	2.5
207.06581	4.7
209.11586	1.0
221.07925	1.1
221.11600	1.0
223.13025	1.0
231.84593	0.7
239.05147	1.2
241.06795	1.5
243.08388	10.3
249.10983	2.2
251.12558	1.0
259.07910	1.5
265.14133	0.9
277.14383	0.8
281.13611	1.6
283.15863	0.8
293.13568	2.4
301.08932	29.6
302.09280	1.8
307.15231	1.5
313.08923	4.3
315.10571	5.3
317.08469	2.1
319.10098	1.7
327.11050	1.3
327.15225	0.7
329.11896	1.9
341.12222	2.8
343.13562	1.4
357.15228	2.3
365.15906	1.3
369.15314	0.8
371.16824	2.2
373.11032	7.5
374.11371	0.8
383.16663	5.9
385.10995	0.9
385.18353	18.2
386.18646	1.2
387.12607	1.7
399.12619	1.4
401.17975	3.8
403.12375	0.8
411.16150	2.6
413.18201	1.3
415.16275	1.0
425.21841	0.9
429.17484	1.5
439.19528	1.2
441.21094	0.9
443.18890	2.1
445.37708	0.7
449.25180	2.2
455.18906	3.3
456.19571	0.7
457.20596	3.1
467.18729	5.3
469.20679	3.6
471.22208	1.2
473.19894	4.3
481.20734	1.0
485.19458	5.6
487.21341	1.1
499.21368	2.5
501.23172	1.2
511.21591	2.0
512.22241	1.2
527.13068	1.5
527.20990	26.4
527.27649	1.0
528.21216	3.0
543.27466	1.4
557.22382	4.1
557.29468	0.8
571.23657	1.1
585.25305	2.5
593.29260	0.7
596.31757	7.8
597.32178	1.5
599.28937	1.2
611.30347	19.7
612.30249	2.2
613.25171	1.0
627.29614	5.7
667.32910	3.0
669.30469	1.9
683.32147	1.6
695.32916	3.2
711.31567	2.4
729.32996	100.0
730.33466	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	729.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.0
57.03433	0.7
58.98671	0.3
60.03529	0.3
61.02927	1.8
64.12935	0.3
67.05502	2.9
69.03435	1.5
69.07079	1.0
71.04996	0.7
73.02921	1.9
76.28656	0.3
79.05507	1.3
79.70085	0.4
83.04967	0.6
83.08637	0.5
85.02912	2.5
91.03954	1.1
91.05466	1.0
93.07044	1.5
95.08602	0.7
97.02914	1.7
97.06562	0.4
99.04462	0.7
101.02396	0.6
107.08621	1.1
109.10179	1.4
119.08588	0.4
121.10150	0.4
127.03933	1.0
133.10172	1.0
135.11667	0.4
137.05998	0.6
145.10191	0.4
147.11777	0.5
149.13235	0.7
150.17465	0.4
151.03923	1.1
156.47037	0.4
181.04900	0.6
185.04309	0.5
201.03735	0.6
229.14513	0.5
243.08440	1.1
267.09195	0.5
267.15714	0.7
269.10605	0.6
293.17249	0.6
301.08942	2.5
311.98386	0.4
315.10565	0.7
355.13440	0.5
373.11072	0.9
385.18387	1.4
413.17792	2.9
425.21350	0.5
439.19415	0.9
453.21039	2.3
457.20593	0.5
469.19019	0.7
485.24005	3.1
501.01358	0.4
501.22925	1.0
513.22766	0.5
517.20850	0.7
557.25812	1.2
625.31873	20.8
626.32227	2.8
627.33917	0.9
651.33521	1.7
652.34308	0.5
683.36102	0.6
711.36182	0.5
729.34692	100.0
730.34937	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	729.3405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.5
55.05513	1.3
57.03438	1.3
61.02927	3.2
67.05514	3.2
69.03413	2.4
69.07082	1.2
71.01376	0.6
71.05006	1.4
71.31651	0.6
71.85384	0.5
73.02919	2.0
79.05501	2.4
83.08589	1.2
84.58148	0.6
85.02900	3.4
85.06545	0.8
91.03949	1.7
91.05483	2.2
93.07072	1.8
95.04971	0.8
95.08610	1.3
97.02914	2.6
99.04435	0.8
99.69248	0.4
101.02398	0.6
105.07071	1.5
107.04933	0.5
107.08588	1.3
109.02900	0.9
109.06510	0.7
109.10177	2.7
111.04488	0.6
118.06589	0.5
119.08604	1.4
121.06510	0.8
121.10165	0.9
123.11742	0.8
127.03938	1.7
129.05557	0.5
131.08560	1.0
133.10153	1.7
135.11691	0.9
137.06032	0.8
137.09680	0.6
143.08475	0.5
147.11702	0.6
149.13222	0.7
151.03938	1.4
153.05460	0.5
159.04298	0.5
165.09122	0.7
167.07109	0.7
173.11749	0.8
181.04858	0.8
185.04292	1.6
235.13101	0.5
243.08473	1.6
260.03464	0.5
293.17462	0.5
301.08948	2.7
311.08585	0.5
315.10623	0.5
343.11859	0.6
370.77066	0.6
373.11035	1.2
385.18265	0.8
413.17761	2.3
425.21527	0.6
429.17307	0.9
439.19550	1.8
441.20847	0.5
451.57281	0.5
453.20920	2.7
459.00891	0.5
467.18860	1.3
469.20511	1.4
485.23395	2.3
501.23117	1.7
511.21292	0.7
557.25696	0.7
567.27783	0.9
599.33936	7.2
600.34308	1.2
611.31238	1.7
622.33160	0.5
625.21741	0.7
625.31989	14.3
626.32349	1.9
628.30499	0.6
639.29950	1.7
651.33612	1.5
657.30676	0.9
683.36285	8.1
684.36823	0.8
711.34766	2.0
727.35480	1.4
729.34894	100.0
730.35156	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	729.3665
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
55.01873	0.7
55.05520	1.2
55.90878	0.3
57.03445	2.2
59.05013	0.6
61.02927	3.9
65.14243	0.3
67.05503	2.6
69.03429	2.9
69.07085	0.6
69.63097	1.7
69.98273	0.3
71.01329	0.3
71.05005	1.0
73.02909	2.8
79.05489	2.5
83.04981	0.7
83.08627	1.3
85.02903	5.8
85.06538	0.3
85.10196	0.3
87.04454	0.6
91.03950	2.3
91.05463	3.0
93.07051	2.6
95.04967	2.3
95.08618	1.7
97.02896	3.7
97.06548	0.6
99.04463	0.4
99.08138	0.4
101.02363	1.8
101.28327	0.3
103.03941	0.6
105.07030	2.6
107.05003	0.6
107.08620	1.2
109.02901	1.1
109.06521	0.9
109.10152	0.5
111.04462	0.4
111.08112	0.8
115.03899	0.5
119.08581	2.2
121.10164	2.3
127.03947	1.5
129.07030	1.5
131.08578	1.5
133.10101	1.6
137.09668	0.5
142.07809	0.4
145.10110	0.4
147.11641	2.0
149.09650	1.9
157.10146	1.6
165.12901	0.5
175.11220	1.3
185.04250	0.4
192.47000	0.3
193.12241	3.2
193.98592	0.3
197.15405	0.3
203.05270	0.7
209.04205	0.3
211.13428	0.6
225.14871	0.7
238.24757	0.3
243.08394	2.5
251.12723	0.9
267.16003	1.2
283.15146	4.5
307.15228	0.5
339.17883	0.8
469.20456	9.1
470.20911	1.1
501.23062	9.9
502.23550	0.9
567.31561	0.8
647.99542	0.4
729.36609	100.0
730.36993	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	729.4179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86706	0.7
53.03958	1.1
55.01878	0.8
55.05512	5.1
57.03444	4.6
57.07082	1.3
61.02924	6.0
65.03952	1.1
67.05509	16.4
67.11768	0.7
68.05848	1.6
69.01769	1.7
69.02179	6.5
69.03429	4.1
69.07078	5.9
71.05000	1.1
73.02931	5.2
79.05492	7.7
80.05854	0.9
81.07062	14.9
82.07396	1.6
83.08627	4.5
83.91236	0.7
85.02908	6.0
91.03974	4.2
91.05487	5.9
93.07053	9.2
94.07408	1.2
95.04978	3.1
95.08616	11.6
96.08923	1.3
97.02896	4.8
97.06540	1.6
97.10176	1.1
99.04474	1.6
99.08083	1.0
101.02392	2.0
102.78885	0.7
105.07018	3.8
107.04993	0.8
107.08614	5.4
109.06529	1.0
109.10165	5.8
111.08118	1.5
117.07077	0.8
119.08610	3.3
121.06551	0.9
121.10155	3.5
123.11715	1.0
127.03925	1.4
129.07011	0.8
131.08600	1.8
133.10172	3.0
134.10515	1.0
135.11720	2.0
137.13255	0.8
147.11707	1.7
149.13274	2.2
157.10127	1.3
159.11726	0.9
163.11325	0.9
173.04466	0.7
173.11916	0.9
184.07390	1.9
185.04254	0.9
193.12306	1.0
195.13780	0.9
205.59932	0.8
215.30649	0.8
225.11209	1.0
229.14409	2.4
230.14890	0.8
243.08559	1.8
269.17514	6.0
270.17801	3.6
313.27390	1.8
314.27829	1.7
337.27408	6.5
338.27740	5.6
343.41605	0.9
344.29218	0.8
398.34097	0.7
451.19528	8.5
468.37811	2.1
519.29211	7.5
520.29272	0.9
531.40601	3.7
532.40814	14.7
569.97180	0.8
729.41827	100.0
730.42334	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	730.4654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.0
56.05027	0.7
57.07067	0.3
58.06592	0.5
60.05651	0.3
60.07872	0.4
60.08163	5.9
67.05500	2.6
69.07052	0.7
70.06596	0.3
71.04971	0.4
71.07370	3.7
79.05489	1.9
80.43835	0.3
81.03409	0.4
81.07056	2.6
83.08604	0.7
85.02914	0.2
85.06541	0.4
86.09702	30.0
87.10028	0.6
91.05486	1.4
93.07049	1.2
95.04953	0.3
95.08603	1.8
97.06513	0.4
97.10165	0.5
98.22594	0.5
98.98459	3.6
99.08094	0.2
104.10741	2.2
105.07030	0.8
107.08572	0.9
109.10149	1.0
109.34191	0.2
111.04432	0.3
117.07014	0.3
119.08576	1.0
121.10110	1.2
123.08084	0.3
125.00000	21.6
131.08603	0.3
133.10126	1.2
135.11708	1.0
137.05951	0.4
137.09575	0.4
142.66692	0.2
143.01088	0.3
145.10153	0.5
147.11687	0.4
149.02338	0.3
149.09602	0.5
149.13210	0.3
151.03917	0.3
159.08086	0.4
159.11577	0.3
184.07333	100.0
185.07678	2.1
189.11143	0.2
229.14354	0.4
249.18503	0.3
269.81250	0.2
279.23154	0.4
319.86389	0.2
335.25919	0.4
371.16049	0.3
533.37408	0.4
730.46942	2.9
731.46411	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.5094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.2
55.05510	22.3
57.03439	9.3
57.07077	6.8
61.02921	2.3
65.03940	1.3
65.36840	1.1
67.05502	40.6
67.05863	2.0
68.05817	1.1
69.03424	1.9
69.07066	28.3
69.11388	3.2
69.11790	8.4
70.75915	1.0
71.04995	2.1
71.08635	2.3
79.05489	19.4
81.03404	2.2
81.07053	46.1
82.07397	2.1
83.04946	2.9
83.08615	20.2
85.02879	4.4
85.06569	2.5
85.10158	2.3
91.03947	1.8
91.05480	11.9
93.07047	28.7
94.07368	1.5
95.04967	4.7
95.08606	25.1
96.08932	1.2
97.02902	1.5
97.06533	6.4
97.10156	10.5
99.08074	1.5
105.07020	4.2
107.08579	16.1
109.10141	7.3
111.08090	3.0
111.11721	2.2
117.07037	3.6
119.08564	2.3
120.02907	1.2
121.10146	11.9
123.11665	3.7
125.00065	1.1
131.08568	5.4
133.10143	7.3
135.11693	10.4
149.13252	10.5
151.11194	1.3
159.11682	4.3
163.14882	1.5
177.12717	1.6
184.07356	3.2
190.94933	1.2
195.13815	8.3
210.20262	1.5
213.14854	2.3
265.25259	1.7
269.17465	63.9
270.17825	4.6
333.07114	1.5
339.28937	73.8
340.29199	7.5
533.41992	100.0
534.42377	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	730.5096
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73100	4.9
55.05507	25.6
57.03436	13.3
57.07087	11.9
67.05504	61.2
69.07064	46.9
71.08624	10.0
71.14783	7.6
72.03087	5.6
79.05479	25.4
81.07052	68.8
83.04932	5.0
83.08607	30.8
91.05473	14.3
93.07053	52.6
95.04979	7.0
95.08600	46.1
97.06535	9.8
97.10188	20.3
97.91565	4.5
107.08603	31.2
109.10163	18.7
111.08015	6.2
117.07005	7.3
121.10133	31.9
123.11707	8.1
131.08525	6.4
133.10136	7.6
135.11711	8.9
136.04784	5.2
147.11670	6.8
149.13239	20.4
159.11667	11.5
177.12758	8.8
184.07321	8.4
220.89792	5.0
231.95651	5.7
254.84090	5.5
269.17422	57.2
318.12454	5.6
339.28976	48.3
340.29178	7.0
399.99802	5.9
432.87567	5.5
533.42078	100.0
534.42377	9.9
594.14136	6.4
731.42761	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	731.1602
Annotation	Procyanidin B2 3'-O-gallate
Peak:m/z	Relative Intensity
51.02378	0.9
55.01879	1.4
55.02117	0.3
67.05501	0.5
68.99789	2.3
69.03427	0.4
71.32142	0.6
77.03962	0.4
79.01852	4.4
81.03401	0.5
83.04965	0.3
89.03909	0.3
91.05473	0.3
95.04949	0.8
97.02863	0.7
105.03373	0.6
107.01321	0.9
107.04913	0.7
109.02824	0.7
111.00840	1.3
111.04418	0.8
112.75792	0.3
115.05453	0.4
119.04919	1.2
119.08564	0.3
121.02830	0.5
123.04424	23.4
124.04742	0.7
125.02337	2.0
127.03909	9.1
129.07053	0.7
131.04918	1.1
132.01289	0.3
133.06479	0.4
135.04401	4.4
135.05360	0.5
137.02338	1.4
137.05997	0.4
139.03894	11.7
140.04233	0.4
140.39079	0.3
141.01848	0.3
141.06978	0.7
143.03387	5.3
143.04904	0.8
145.02791	0.4
145.06458	0.5
147.04414	3.2
149.02327	0.8
149.05994	1.0
151.03893	13.1
152.04234	0.4
153.01819	100.0
153.02866	4.5
154.02147	3.2
155.04912	0.8
157.06488	0.9
159.04372	1.4
161.05956	2.2
163.03889	10.1
163.07503	0.3
164.04225	0.6
165.05487	1.7
167.03366	0.8
167.07001	0.4
169.06483	1.0
169.37611	0.3
173.05937	1.9
175.03932	1.9
177.05464	1.2
179.03372	2.9
179.07004	0.5
181.06456	0.6
183.04402	0.6
185.05901	1.3
187.03845	4.7
189.05499	1.7
189.42235	0.3
191.03349	1.9
193.04938	1.9
197.05981	2.1
199.07570	0.4
201.05484	2.6
203.03410	3.0
203.07011	0.9
204.03743	0.3
205.04967	0.7
207.06525	1.9
211.03894	0.4
213.05476	2.8
214.05978	0.4
215.03490	0.6
215.07030	1.0
217.04915	2.6
225.05481	1.7
229.04938	2.7
231.06479	0.5
233.04417	0.9
237.05473	0.7
241.04996	3.0
243.06577	1.4
245.04436	2.6
247.06004	6.5
253.04945	1.0
255.06573	1.7
257.04462	1.9
259.06003	19.9
260.06277	1.2
265.04953	0.8
269.04477	0.4
271.05981	34.4
272.06305	2.1
273.07635	0.7
275.05551	2.0
283.05988	7.8
284.06375	0.8
287.02319	0.5
287.05475	9.7
288.05905	0.4
289.07104	2.5
291.08621	2.5
295.05902	0.4
299.05545	2.5
301.06992	1.3
303.04977	0.5
315.04944	0.9
331.04385	1.5
373.09073	0.3
393.09601	0.3
409.09158	12.5
410.09515	1.0
411.10699	15.3
412.10898	1.1
427.10364	0.4
435.10501	0.3
439.10217	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.1604
Annotation	Procyanidin B5 3'-O-gallate
Peak:m/z	Relative Intensity
51.02389	0.7
53.03946	0.9
54.81807	0.2
55.01867	2.1
59.00681	0.3
59.84647	0.3
63.57107	0.3
65.03942	1.3
67.01867	0.6
67.05502	0.9
68.65351	0.2
68.99784	6.3
69.00151	0.4
71.32378	0.4
77.03938	1.1
79.01859	0.6
79.05505	1.1
81.03417	3.9
83.04992	0.4
85.02929	0.5
89.03922	1.0
91.05485	1.0
93.03417	0.9
95.01289	0.3
95.04971	1.6
97.02887	0.7
99.04461	1.4
103.05465	1.0
105.03391	1.2
105.07069	0.4
107.01302	0.4
107.04953	3.6
109.02879	3.7
109.06599	0.4
111.00811	3.2
111.04454	3.6
115.05450	1.0
117.03396	0.8
119.04957	1.0
120.29208	0.3
121.02869	2.1
123.04428	88.8
124.04737	2.4
125.02348	0.4
125.67751	0.3
127.03911	100.0
128.04266	3.1
129.06973	0.5
131.04906	2.3
133.02925	0.3
133.06500	0.3
135.04411	31.7
136.04726	0.9
137.02345	4.1
137.03384	0.6
137.06009	0.8
139.03897	44.3
140.04243	1.4
141.01855	0.3
141.06984	1.0
143.03387	0.8
143.04901	0.8
145.02841	0.5
145.06436	0.6
147.04398	8.5
149.02351	5.1
149.05959	1.9
150.03056	0.3
151.03905	14.7
152.04204	0.5
153.01826	12.5
153.02902	0.7
153.05424	0.4
153.06963	0.6
154.02106	0.4
155.04924	1.0
157.06502	1.1
157.72615	0.3
159.04405	4.1
161.02350	0.7
161.05969	2.6
163.03902	37.5
163.64366	0.3
164.04213	1.4
165.05469	4.0
167.03410	8.6
167.04829	0.6
169.06439	1.9
171.04442	0.4
173.05991	3.3
175.03906	3.8
175.07576	0.7
177.01845	0.4
177.05470	4.2
179.03389	4.3
179.04803	0.5
181.04881	0.7
181.06464	0.8
183.04410	0.7
185.05991	1.5
187.03845	6.2
187.07544	0.9
188.04448	0.3
189.05453	3.8
191.03381	12.6
192.03720	0.6
193.04942	3.8
197.05957	3.9
198.06453	0.3
199.03838	0.4
200.04605	0.5
201.03627	0.4
201.05470	7.7
202.05724	0.5
203.03377	10.4
203.06982	1.9
204.03633	0.7
205.04947	3.4
211.07539	0.3
213.05492	1.6
215.03525	1.7
215.07025	2.7
217.04984	2.4
219.06415	0.7
223.07819	0.3
225.05586	1.5
226.06117	0.3
227.03358	0.7
227.06970	0.6
229.04962	7.5
230.05246	0.5
231.06439	2.2
233.04442	6.5
234.04770	0.3
237.05327	0.4
241.04941	1.2
243.06502	4.7
244.06885	0.3
245.04462	8.0
246.04770	0.3
247.06006	21.8
248.06367	1.2
251.05510	1.2
253.04852	1.4
255.06572	2.0
257.04446	10.6
258.04929	0.9
259.06000	8.6
260.06390	0.5
261.07547	0.7
265.04883	0.5
267.06732	0.3
269.04446	5.4
270.04752	0.4
271.05997	19.8
272.06332	1.2
273.07532	5.5
274.07962	0.4
275.05484	15.1
276.05835	1.0
277.22836	0.3
283.06003	8.3
284.06259	0.8
285.07581	1.4
287.05484	26.0
288.05862	1.7
289.07068	12.1
289.10284	0.6
290.07312	1.0
291.08649	3.8
295.05844	0.5
297.07474	1.3
299.05487	4.6
301.07053	12.9
302.07227	0.8
303.08646	0.8
307.05908	0.4
311.05508	0.4
313.07074	0.6
315.08521	0.8
317.06497	0.5
379.07962	0.7
391.08060	2.8
392.08575	0.4
393.09677	2.5
409.09167	24.2
410.09555	2.3
411.10526	0.5
421.09094	1.7
427.10248	2.4
433.09143	0.5
435.10834	1.9
436.10736	0.4
439.09799	0.6
443.09427	0.8
495.11270	0.3
543.12701	0.5
554.84979	0.3
561.12170	0.9
563.11237	0.7
579.11334	0.7
705.29272	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.4184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.8
60.08187	1.1
67.05506	2.2
68.35882	0.6
69.07062	1.1
69.79305	1.4
69.79665	2.5
71.48607	0.7
72.47153	0.6
74.00965	0.6
79.05504	1.6
81.07063	2.5
83.08631	0.9
83.13000	0.7
86.09708	2.0
91.05507	1.6
93.07040	1.4
95.08618	2.1
98.22610	0.7
99.08090	0.7
107.08614	0.9
109.10146	1.0
110.45511	0.6
112.67274	0.6
116.21771	0.6
125.00010	2.2
165.40401	0.6
184.07338	8.3
185.04292	0.7
185.42847	0.7
195.08252	0.7
196.57390	0.7
206.62866	0.7
240.94232	0.6
253.83723	0.7
259.08099	0.7
300.45993	0.7
347.09576	1.2
376.43042	0.6
376.48306	0.7
390.58347	0.8
514.67236	0.7
569.36578	21.6
570.36908	2.7
731.41803	100.0
732.42023	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	731.433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	3.3
55.20971	1.7
57.03432	3.0
61.02925	7.2
65.92813	1.7
67.05506	13.3
69.03439	4.8
69.07076	4.6
69.23949	10.4
69.24359	4.6
73.02914	7.5
79.05492	7.8
81.03439	3.1
81.07063	14.2
85.02901	10.2
86.72464	1.6
91.03953	4.7
91.05490	4.3
93.07037	9.4
95.08620	10.3
97.02893	4.9
97.06548	2.1
98.22605	4.0
107.08600	6.5
109.10164	3.2
117.57246	2.0
119.08588	3.1
121.10117	4.5
127.03936	1.8
135.11752	2.9
147.11844	1.9
149.13318	2.2
235.13147	2.6
243.08369	2.4
453.20956	2.6
519.28961	9.8
520.29675	2.6
731.43390	100.0
732.43738	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	731.4336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.2
55.01858	0.6
55.05508	1.4
57.03442	2.6
57.07074	0.4
60.84082	0.3
61.02928	7.8
61.03234	0.3
62.53242	0.3
65.03954	0.3
67.05505	6.7
69.03428	3.9
69.07061	2.0
71.01354	0.7
71.04987	0.9
73.02916	5.4
79.05497	4.8
80.00153	0.3
81.03412	2.2
81.06573	0.4
81.07055	8.4
82.07410	0.3
83.04977	0.5
83.08608	1.5
85.02903	7.7
91.03963	4.8
91.05475	2.7
93.07047	6.1
93.07603	0.5
95.05002	0.6
95.08601	3.8
97.02890	6.5
97.06548	0.8
98.23317	0.8
99.04468	1.1
101.02383	3.0
103.03952	0.5
105.07024	1.6
106.91461	0.2
107.08599	3.0
109.02897	0.8
109.10159	2.0
110.73868	0.3
111.08096	0.5
115.03953	0.8
117.07056	0.9
119.08607	1.3
121.10137	2.3
123.11703	0.8
127.03915	1.9
131.08589	1.0
133.10146	1.4
135.11685	1.4
145.04916	0.3
145.10138	0.6
147.11700	0.5
149.13295	1.0
152.79414	0.3
159.11737	0.8
173.13283	0.3
184.07240	0.3
185.04248	0.5
195.13831	0.7
203.05237	0.6
235.13106	1.3
243.08461	2.3
269.17416	0.4
335.25955	1.0
349.04816	0.4
453.20898	5.6
454.21585	0.6
519.29242	9.4
520.29797	1.0
731.43347	100.0
732.43689	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	732.4808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.5
55.70141	0.1
56.05030	1.0
57.07066	0.2
57.61575	0.1
58.06621	0.5
59.07384	0.2
60.08165	6.5
65.85828	0.1
67.05505	0.8
69.03429	0.1
69.07057	0.4
69.29436	0.5
69.29842	0.1
70.06606	0.2
71.04962	0.1
71.07375	4.0
71.08602	0.1
71.82077	0.1
79.05492	0.4
81.03458	0.1
81.07046	0.7
83.08622	0.3
85.02891	0.1
86.09707	34.2
87.04408	0.1
87.10049	0.7
89.06032	0.5
91.05470	0.3
93.07037	0.5
95.04953	0.2
95.08609	0.5
96.08926	0.1
97.06480	0.1
97.10159	0.2
98.98467	4.0
104.10746	2.5
105.07050	0.2
107.08607	0.3
109.10159	0.2
119.08556	0.1
121.10124	0.3
123.11742	0.2
125.00005	23.4
125.09617	0.3
126.00368	0.2
131.08459	0.1
133.08609	0.2
133.10136	0.2
135.11728	0.2
143.01027	0.1
145.10197	0.2
147.11700	0.1
157.69351	0.1
166.02740	0.2
184.07344	100.0
185.07706	2.2
189.11230	0.1
279.23273	0.1
281.14377	0.1
447.45087	0.1
468.23547	0.2
491.36765	0.1
523.32745	0.1
549.41846	0.1
581.71051	0.1
590.03729	0.1
732.48096	3.2
733.48138	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.562
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61166	4.5
53.03960	5.6
53.18973	4.1
54.68649	4.4
55.05515	18.1
56.05029	6.9
57.07072	4.9
60.04524	72.7
64.61515	3.9
64.61913	3.8
67.05515	20.4
69.07076	18.2
71.31097	4.4
71.31469	6.6
79.05508	10.1
81.07053	23.8
83.08613	8.4
84.79904	4.3
89.06010	4.0
91.05497	16.5
93.07050	17.7
94.06568	4.7
95.08613	16.8
97.10178	6.3
99.01811	4.5
105.07024	8.8
107.08607	12.2
109.10188	10.9
121.10156	5.6
131.08513	4.2
133.10214	6.1
156.84784	4.2
168.05429	4.0
174.49777	4.1
236.14983	6.2
245.22441	5.7
262.25296	25.5
272.25974	6.9
280.26331	27.9
298.27328	11.7
355.45132	4.6
421.62335	4.9
516.47900	5.2
534.48669	18.4
534.82086	4.2
552.49921	100.0
553.49976	12.4
570.50842	29.9
571.51031	8.5
645.78058	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	733.391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.6
54.66260	0.4
55.01854	0.5
55.05514	3.4
57.03427	1.9
57.07062	1.2
60.08144	1.2
61.02908	1.5
67.05165	0.5
67.05502	6.3
67.19138	0.4
68.05841	0.8
69.01309	2.1
69.01736	2.4
69.03417	1.9
69.07063	4.0
69.28199	0.5
70.07404	0.5
71.04993	1.1
71.07360	0.8
73.02897	1.4
79.05494	4.7
80.05820	0.5
80.10717	0.4
81.03420	4.2
81.07052	6.6
82.49966	0.4
83.04965	1.4
83.08633	3.6
85.02903	3.9
86.09206	0.6
86.09701	6.0
87.10003	0.7
91.03950	0.8
91.05471	3.2
93.07047	3.9
95.04965	2.0
95.08597	5.5
97.02885	1.5
97.06515	1.4
97.10147	1.8
98.98478	0.5
99.50205	0.4
101.02303	0.5
105.07035	2.6
107.08580	1.6
109.02824	0.4
109.06538	0.6
109.10162	2.1
111.08109	1.0
117.07015	0.5
119.08564	1.9
121.06492	0.6
121.10142	2.7
125.00002	4.0
129.06969	0.7
131.08559	0.8
133.10078	1.4
135.11678	1.2
147.11676	1.2
149.13214	0.6
153.12650	0.4
157.10110	0.9
175.11154	0.5
184.07344	17.9
185.07642	1.8
193.12209	2.6
194.12566	0.5
211.13298	3.6
212.13593	1.1
267.15863	1.4
279.23178	1.2
285.16974	4.4
286.17239	2.3
325.27338	3.8
326.27658	3.0
332.26181	0.7
377.15698	0.4
487.51999	0.5
497.17780	0.6
518.38763	0.9
519.28918	1.6
521.29218	0.7
535.26575	0.9
535.39978	3.4
536.40186	5.7
733.38800	100.0
734.39313	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	733.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
55.01873	1.0
55.05509	1.7
55.64101	0.4
57.03444	2.0
60.08175	1.3
61.02930	6.1
67.05511	6.6
69.03432	3.9
69.07074	1.8
69.16498	1.4
69.16919	1.9
71.04990	0.9
71.07361	0.8
73.02916	5.2
79.05491	4.1
81.03413	2.2
81.07057	6.3
83.04990	0.7
83.08639	1.1
85.02905	5.2
86.09708	9.5
87.10038	1.3
91.03967	3.1
91.05489	2.9
93.07047	4.4
95.04983	0.9
95.08607	4.1
97.02900	4.6
98.98466	1.0
99.04465	1.1
101.02394	2.0
105.07053	1.7
107.08605	2.8
109.02928	1.1
109.10172	3.5
117.07066	0.5
119.08595	1.7
121.10165	2.3
123.08119	0.6
123.11721	1.0
125.00011	6.2
126.00356	0.5
127.03937	1.5
127.31332	0.4
130.18622	0.4
131.08569	0.8
133.10115	2.5
135.11708	1.1
142.13737	0.4
147.11656	0.7
151.11124	0.8
164.09244	0.4
173.13171	0.5
184.07346	29.2
185.04237	0.8
185.07719	4.1
202.29308	0.4
203.05286	0.6
221.47536	0.4
237.11057	1.4
243.08511	1.3
267.15741	0.5
311.25970	0.5
313.27612	0.6
335.25912	0.6
455.18924	4.3
456.19550	0.7
519.29327	8.8
519.36133	0.4
520.29749	1.1
733.41235	100.0
734.41632	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	733.4491
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65692	0.8
55.05516	2.1
57.03442	1.7
61.02926	5.5
64.51322	0.7
67.05504	6.6
68.31053	0.8
69.03433	2.8
69.07074	2.1
73.02917	3.6
79.05499	4.3
81.03410	1.2
81.07054	6.5
83.08630	2.1
85.02882	4.4
89.08221	0.7
91.03954	3.1
91.05475	2.2
93.07060	3.4
94.19377	0.7
95.08619	6.4
95.40260	0.7
97.02885	4.3
97.06573	1.0
97.10188	1.3
97.61142	0.7
98.22527	1.6
99.04504	1.1
101.02395	2.0
105.07063	0.9
107.08622	1.5
109.10161	1.6
119.08586	1.1
120.99518	0.9
121.10199	1.9
121.57520	1.0
123.11747	1.2
127.03892	1.6
133.10136	1.0
149.13304	1.9
159.11720	1.1
189.45494	0.9
228.82306	1.0
235.13109	1.1
243.08528	2.7
407.53668	0.9
453.20792	5.3
521.30859	6.5
615.67664	1.0
733.44867	100.0
734.45190	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.2
55.01866	1.8
55.05506	2.6
59.04995	2.1
65.03941	9.2
67.05505	6.2
69.07062	3.4
69.10349	2.6
69.10748	9.8
79.05486	7.7
81.03419	1.3
81.07047	5.7
85.06499	1.3
85.10025	1.5
88.52910	1.2
91.05469	32.6
93.03394	4.1
93.07043	3.4
94.04176	4.9
95.04965	5.1
95.08591	3.8
95.72170	1.1
102.29833	1.2
103.05465	4.7
105.07001	16.5
106.04134	1.2
107.04944	13.3
107.08598	2.9
108.02039	1.1
109.02879	1.3
109.06496	2.9
109.10149	3.5
110.03650	1.7
111.04440	7.1
115.05462	3.4
117.06988	6.3
119.04929	17.6
119.08570	3.3
121.05682	1.4
121.06510	4.6
121.10150	1.8
122.03655	8.3
123.04402	3.0
123.08078	3.9
124.05193	3.2
125.05975	6.2
128.06186	8.9
129.06999	3.0
131.04935	3.4
131.08566	7.0
133.06476	9.5
133.10120	3.4
134.53459	1.5
135.08022	4.2
136.05217	2.6
137.05966	100.0
138.06357	4.3
139.03946	1.3
139.07529	4.0
141.06912	1.6
143.08545	24.6
144.05806	1.4
145.06503	18.4
145.10109	5.0
146.07230	4.8
147.04433	1.9
147.08054	2.5
148.05215	2.0
149.05989	4.4
149.09604	1.7
151.03926	21.7
151.04988	3.1
151.07530	95.5
152.07919	3.1
153.05452	15.1
157.06509	3.6
158.07278	2.1
159.08037	14.4
160.08862	2.6
161.06026	1.6
161.09685	2.3
162.06795	8.4
163.07520	16.8
164.08316	2.4
165.05443	3.8
165.09111	23.0
167.03436	1.6
167.07063	4.6
171.08041	24.8
172.08716	4.8
173.05983	5.8
173.09624	5.7
174.06770	5.6
175.07507	5.9
175.11229	2.5
177.09090	8.7
178.09758	1.6
179.07031	32.7
179.08527	1.3
179.10661	4.1
180.07817	2.7
180.11127	1.4
181.04945	2.6
181.08488	1.4
187.07610	3.0
188.08316	37.4
189.09074	12.2
190.09853	1.3
191.07001	4.8
191.08586	1.3
191.10739	8.1
193.08556	6.5
193.12096	1.6
195.08086	1.3
197.06107	1.6
198.06702	1.9
201.09079	10.6
202.09816	9.4
203.10654	88.0
204.10973	6.7
205.08463	5.9
205.12257	3.2
207.10219	3.6
207.13928	1.9
209.06195	1.8
209.08046	3.1
211.07570	3.1
213.09134	1.7
214.06230	2.1
216.11429	31.9
217.08588	8.9
217.12135	11.7
219.08301	1.8
219.10112	9.6
221.09750	2.4
221.11713	46.4
222.12073	2.5
224.04800	1.4
225.05386	2.7
225.09160	3.5
227.03394	1.6
227.07069	1.9
227.45688	1.4
231.10175	4.7
234.07047	1.5
235.07445	1.6
235.09654	3.6
235.13336	4.7
238.09941	1.9
239.06978	12.3
239.10710	1.8
240.07707	1.8
241.08484	6.9
242.05693	5.3
248.08322	2.8
249.09099	4.9
251.06931	2.0
251.10614	1.7
253.12224	3.4
255.10208	5.3
256.03604	1.4
256.07428	2.0
257.08072	5.0
257.11508	1.5
263.10675	3.7
269.08136	9.9
270.08600	2.1
271.06000	3.5
271.09576	2.5
277.08493	3.0
279.10086	2.9
280.10812	1.8
281.08575	1.8
281.11566	6.7
283.09598	7.9
284.10406	21.2
285.07571	67.1
285.10574	2.8
286.07974	3.0
291.10135	4.9
292.10754	1.7
293.08423	2.0
293.11636	3.8
294.08963	1.5
294.12280	2.2
294.43991	1.6
295.09802	2.3
295.13354	3.4
297.11139	2.5
298.11761	1.9
299.09238	7.7
309.11212	7.6
309.14664	2.6
310.11984	4.8
311.12866	5.3
313.14227	7.8
323.12738	5.4
325.14310	19.1
326.14874	4.6
335.12634	1.8
339.15753	6.0
340.16623	26.3
341.13788	52.2
341.17462	10.7
342.14233	3.7
342.17905	1.7
355.15298	9.3
357.16498	1.3
359.14499	1.7
359.18491	4.6
373.16214	2.7
491.20572	1.5
494.05405	1.4
509.21310	3.1
523.23254	2.2
557.24738	1.7
575.26318	3.0
657.57306	1.4
681.30182	4.3
699.31818	7.5
727.02277	1.5
734.39429	5.2
735.40515	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	734.4681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.1
55.01871	1.9
55.05515	10.6
57.03434	10.7
57.07076	31.1
67.05505	20.9
69.03423	3.1
69.07063	9.6
71.01398	1.1
71.04983	3.7
71.08636	20.6
78.27407	1.0
79.05488	14.2
81.03416	31.7
81.07056	24.9
82.07413	1.2
83.04980	6.4
83.08618	16.4
83.57868	0.9
85.02904	13.7
85.06538	1.4
85.10181	10.7
86.09715	2.5
91.05481	17.0
93.07043	8.8
95.01340	1.5
95.04961	11.3
95.08606	18.1
97.02897	1.9
97.06530	2.6
97.10133	4.9
99.08088	1.1
105.07037	11.9
107.04966	3.5
107.08595	4.3
109.06522	3.1
109.10166	8.5
111.04462	1.6
111.08068	4.2
113.02400	1.3
115.05486	1.5
117.06975	1.3
119.08573	9.5
121.06506	1.0
121.10141	5.7
123.08042	0.9
123.11684	4.4
124.99973	1.0
125.09691	1.3
129.07004	6.2
131.08548	6.8
133.06485	1.4
133.10121	7.6
135.11658	0.9
137.09662	0.9
137.13231	1.7
141.01828	2.5
142.07840	1.4
145.10229	0.9
147.08070	2.7
147.11702	8.0
149.09625	3.7
157.10110	6.0
165.12735	1.8
175.11223	5.7
184.07344	7.2
193.12239	24.5
194.12695	1.3
211.13287	38.6
212.13577	2.2
239.23656	4.9
257.24728	1.4
267.15878	15.7
277.77475	1.0
281.13785	1.7
285.16953	38.4
286.17294	1.5
301.95963	1.1
313.27353	85.9
314.27795	7.5
408.69400	0.9
415.26788	1.1
437.44534	1.0
443.19296	1.0
489.30441	1.8
505.38815	22.7
506.39090	2.9
523.39941	100.0
524.40179	14.3
734.42877	4.2
735.42395	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	736.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.5
55.01863	14.8
55.05505	5.1
57.03442	2.3
57.07084	1.7
61.02926	0.9
67.05492	8.5
67.79594	0.8
69.03426	14.8
69.07064	12.7
70.03761	1.0
71.04989	7.9
73.02930	0.9
79.05492	14.9
81.03410	32.2
81.07050	25.5
83.04977	3.5
83.08599	2.3
85.02889	4.6
85.06549	7.9
86.50911	0.9
91.05470	11.8
92.05836	1.0
93.07039	48.8
95.04956	6.3
95.08599	15.0
97.02879	4.8
97.06528	14.0
99.04446	15.8
101.06007	1.1
103.05479	2.0
105.04530	1.2
105.07026	29.1
107.04960	3.2
107.08585	56.8
109.02876	21.6
109.06511	14.8
109.10162	2.4
111.04462	2.9
111.08065	8.0
113.06017	4.4
117.07006	4.4
119.06023	1.1
119.08588	11.1
121.06495	14.7
121.10139	38.9
122.10413	1.1
123.04430	2.7
123.08060	9.1
125.06007	2.5
127.03909	23.7
127.07558	2.5
129.07062	2.0
130.07785	2.0
131.03677	1.1
131.04855	2.0
131.08568	6.1
133.06512	3.9
133.10164	2.0
135.08041	6.2
135.11687	13.7
137.05989	8.1
137.09564	1.9
139.11197	3.8
143.07060	1.1
143.08574	1.8
145.10120	30.7
146.10452	1.3
147.07990	1.2
147.11696	5.7
149.06004	2.7
149.09599	16.7
151.03928	1.2
151.07524	10.9
153.01862	2.9
153.12691	1.2
155.08606	1.0
157.06549	1.5
157.08574	1.8
159.08012	2.1
161.06003	3.7
162.06459	1.0
163.11169	72.4
164.11560	2.4
165.09047	1.0
165.12733	1.3
167.07019	8.7
167.10669	29.1
168.11040	1.1
169.08594	83.3
170.08934	1.8
173.09663	6.9
174.06694	1.6
181.08582	1.6
181.12219	22.6
185.11667	5.6
187.07582	1.7
189.09122	4.2
191.10654	37.6
191.12421	2.0
192.10986	1.6
193.08556	1.2
201.09134	1.8
203.07042	2.0
209.11717	35.4
210.12115	2.3
219.10168	5.6
221.11789	1.1
227.12756	100.0
228.13084	4.8
229.54227	1.2
255.12331	1.4
269.13837	5.9
271.02368	3.5
271.13400	1.8
277.10712	1.6
289.14264	2.9
293.13971	2.3
299.01926	6.0
299.12543	1.4
300.99847	1.6
305.14258	1.1
309.16910	1.1
316.02121	3.2
317.13910	2.8
325.10876	1.0
327.12119	1.4
329.12842	1.2
331.04471	13.6
331.96637	1.1
335.14752	6.2
353.15887	34.7
354.16199	2.8
355.15518	3.6
358.95502	1.2
371.12201	1.2
371.16965	23.8
372.17358	2.8
450.71210	1.1
723.81854	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.2
57.03437	1.3
57.28444	1.1
76.35529	1.1
81.03409	7.2
81.07033	1.5
82.23001	1.2
85.02902	1.9
88.78941	1.1
89.03909	10.4
90.04278	1.3
91.05471	5.4
92.39275	1.1
95.04954	1.7
98.22523	2.9
103.05463	2.9
105.03414	1.8
105.07016	1.5
107.04927	1.8
109.02875	2.5
110.03664	2.4
115.18767	1.1
117.03377	29.2
119.04964	7.5
121.06502	2.1
122.03632	1.2
124.05193	2.0
125.05979	5.4
127.03851	1.8
131.04897	2.3
133.02856	7.0
134.03624	2.0
135.04413	5.4
135.07996	1.7
137.05978	12.0
139.03911	1.6
145.02840	73.3
145.10098	1.5
146.03209	2.5
147.04350	6.6
149.05962	14.0
151.03918	3.2
151.07576	2.5
153.01830	17.6
153.05453	11.4
154.06279	2.8
158.07257	2.0
161.05971	6.0
161.09669	1.3
162.06755	3.9
163.03915	1.8
163.07518	1.6
165.05490	2.5
167.07033	37.8
168.04002	1.2
169.04930	1.5
173.09566	2.5
175.03868	5.7
177.05463	100.0
178.05861	3.5
179.06990	9.2
181.04959	5.1
181.08578	3.8
183.06543	1.6
185.08098	14.5
193.08507	2.2
195.10219	1.8
201.05424	17.6
201.09081	5.8
207.10146	1.3
211.09679	1.9
213.11232	1.6
231.06520	2.3
233.05826	1.7
233.11670	5.7
265.08563	1.6
293.08051	1.6
305.08069	2.8
325.10703	15.5
337.10562	5.2
355.11737	17.8
356.12015	1.5
359.11209	3.2
373.12863	5.6
387.17987	2.7
487.15482	2.2
517.16907	3.3
535.17957	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	1.0
65.03944	0.9
69.03419	1.3
69.29102	2.4
69.29521	2.6
81.03422	4.1
85.02888	0.8
89.03392	1.0
89.03912	7.4
91.05479	4.0
93.07024	1.0
93.14240	0.7
95.04964	0.8
103.05489	1.3
105.03413	1.3
105.07024	1.1
107.04968	1.0
109.02869	1.7
110.03677	1.3
117.03376	23.2
119.04949	5.5
121.06500	1.4
125.05985	5.6
127.03930	0.8
131.04941	1.7
133.02849	6.8
133.06517	0.7
134.03616	1.9
135.04422	2.8
135.07913	0.8
137.05962	8.3
138.06297	0.7
139.03911	1.1
145.02841	64.8
146.03166	2.5
147.04388	5.0
149.05978	12.7
150.06668	1.2
151.03931	1.0
151.07498	1.5
153.01849	5.1
153.05495	7.7
154.06247	2.9
161.06007	3.4
162.06773	3.1
163.07524	2.2
164.79105	0.8
165.05449	1.2
165.69907	0.8
167.07048	3.7
169.04922	0.8
171.02806	1.1
171.77538	0.7
175.03885	5.7
177.05466	100.0
178.05830	3.9
179.07056	6.3
180.07671	1.0
181.04977	4.2
181.08568	1.5
183.06526	0.9
185.08102	12.6
186.05484	0.9
189.09132	1.0
193.08586	1.0
201.05467	12.8
201.09172	1.9
207.08191	0.8
231.06522	1.1
233.05887	1.1
233.11771	1.5
262.06195	0.8
265.08545	1.2
277.08591	0.9
293.08038	1.9
295.05972	1.2
305.08011	1.3
307.09824	0.9
321.09784	2.3
323.09006	1.2
325.10693	15.5
326.10999	1.4
327.08606	1.2
337.10678	4.8
341.10165	1.5
355.11743	15.0
356.12415	1.0
359.11215	3.1
373.13019	3.7
379.13666	3.0
380.13907	3.2
387.17957	0.8
469.14670	0.9
487.15778	1.4
499.15945	1.5
510.60599	0.8
517.16797	1.2
535.17987	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.0
55.01876	1.7
55.05512	3.2
57.03436	3.7
58.58246	0.7
65.03953	2.0
67.05508	2.6
69.03436	9.6
69.12977	6.7
71.04992	1.1
75.04485	8.3
77.03916	1.4
78.04718	1.1
79.05496	24.5
79.05955	1.5
80.05792	0.9
81.03417	8.6
81.07062	7.7
83.04987	1.3
85.02905	5.8
91.05479	22.1
93.03410	1.0
93.07046	96.6
94.04166	1.6
94.07377	2.8
94.69656	0.8
95.04971	7.0
95.08606	3.2
97.02900	6.0
97.06542	1.6
99.04445	1.9
103.05473	2.9
105.04530	2.0
105.07031	13.0
106.07825	1.1
107.04962	14.3
107.08603	13.8
108.04496	1.9
108.08866	0.8
109.02896	4.0
109.06519	2.9
109.10130	1.0
111.04434	2.5
111.08067	7.6
112.00143	0.6
113.05942	0.7
115.05458	1.9
116.06236	1.5
117.06999	1.7
119.04941	2.6
119.08596	10.3
121.06491	2.5
121.10145	79.7
122.03654	4.6
122.10466	2.4
123.04427	2.7
123.08046	1.2
123.11685	1.7
124.05212	2.1
125.05966	3.4
126.05482	0.8
126.36684	0.7
127.03897	4.3
128.06190	1.9
129.07013	11.7
131.04947	2.2
131.08557	15.8
132.08925	0.9
133.06487	2.8
133.07541	1.2
133.10143	1.5
135.04422	1.9
135.08014	0.8
137.05977	100.0
138.06296	3.4
139.11212	4.7
141.06981	1.8
143.08556	2.1
144.05708	3.0
145.05058	1.1
145.06479	2.1
145.10118	2.1
146.07245	0.8
147.04401	1.7
149.05971	5.5
149.08475	1.2
149.09615	16.4
151.03853	2.4
151.07539	14.0
153.01852	2.2
153.05498	4.5
154.05986	0.8
155.07030	1.9
157.06500	6.4
158.07278	2.0
159.08058	17.8
161.05995	4.7
161.09637	3.5
163.07515	2.4
163.11179	1.5
165.09113	2.9
167.07043	65.6
167.10687	21.4
168.07367	2.2
168.11063	0.7
169.07614	1.4
170.07251	3.0
171.07996	1.8
173.09656	1.9
174.06770	7.3
175.07492	2.6
177.05540	0.9
177.09105	1.5
178.09880	1.9
179.07005	0.9
181.04901	1.1
181.08582	6.2
183.06581	0.8
186.06740	1.5
187.07550	21.5
188.07947	0.9
189.09102	43.3
190.09410	2.8
191.10716	4.2
193.08592	1.2
198.06631	0.9
201.09109	14.6
202.09592	0.9
203.07042	2.7
204.07800	8.8
205.08638	1.4
207.10162	1.7
209.08038	1.2
209.11746	1.1
211.11169	0.8
213.11185	0.7
215.10564	0.8
216.07785	2.4
217.08568	1.4
219.08276	1.5
219.10155	33.4
220.08673	1.4
220.10518	1.3
221.11710	7.5
231.07997	0.9
231.10147	18.2
232.10492	0.9
233.11684	1.4
235.11249	0.9
237.09119	0.9
237.11215	2.6
239.07030	0.8
248.08328	3.1
249.09082	1.0
249.11226	9.5
252.07823	2.1
261.08981	0.8
263.10669	4.4
265.08603	2.1
266.09439	0.9
276.07608	1.0
279.10110	0.8
280.07620	1.1
280.10986	1.9
285.07541	2.2
291.10126	6.0
292.10638	0.8
293.13773	4.2
295.13239	3.1
298.08408	1.6
300.09766	4.0
308.10397	1.6
309.11050	2.3
311.14969	7.4
313.10687	12.2
314.11240	1.0
323.12799	9.9
324.13342	1.5
325.10742	2.0
327.12161	2.4
329.15930	2.4
340.12918	2.6
341.13806	1.5
343.15427	5.3
355.15399	63.8
356.15793	6.7
367.15585	0.9
373.16428	11.6
374.16699	1.0
736.35779	1.6
737.37891	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.5202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.0
55.05511	16.0
57.03428	6.3
57.07074	37.0
58.06588	4.8
61.02926	5.0
63.51650	1.4
65.03921	2.1
67.05505	51.2
67.05868	2.5
69.03431	2.0
69.07072	11.8
71.04993	24.5
71.08630	27.4
73.02908	1.6
77.13187	1.3
79.05499	13.0
81.03403	2.4
81.07054	88.5
82.07394	2.4
82.51818	1.5
83.04980	3.2
83.08621	15.0
85.02911	3.9
85.06553	10.7
85.10176	12.4
87.04509	2.0
91.05474	20.7
93.07055	12.6
95.04958	2.8
95.08604	29.4
96.08964	1.5
97.02910	2.3
97.06544	4.4
97.10166	5.6
99.08069	1.6
99.11739	1.2
99.74264	1.1
105.07030	17.6
107.08609	8.7
109.06516	1.7
109.10138	15.1
111.08132	1.8
117.07042	2.7
119.08587	1.7
119.92081	1.3
121.10159	4.9
123.11702	15.9
131.08603	6.4
133.10120	23.9
134.10495	1.4
135.11729	3.8
137.13199	2.2
149.13246	5.5
151.11134	7.9
159.11694	4.8
177.12782	2.4
183.13861	3.2
187.13271	4.0
208.02045	1.3
211.09593	1.5
233.11597	1.5
233.19278	1.4
236.14917	13.1
239.23672	1.7
269.17459	6.1
279.23145	1.6
301.20090	18.0
313.27347	24.2
314.27548	2.1
474.37772	2.1
481.38867	100.0
482.39166	16.8
495.40381	4.9
507.40518	7.5
508.40802	1.6
539.43018	97.6
540.43329	16.4
575.83716	1.4
683.47272	1.8
736.60876	13.7
737.36304	2.4
737.60669	1.9
763.24927	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91548	0.1
53.00314	0.2
53.03954	0.6
55.01885	0.4
57.03442	0.2
66.04716	0.2
69.03423	1.1
71.32897	0.2
78.04700	1.6
79.01846	1.1
79.05479	1.1
81.03410	3.0
81.07047	0.2
83.05000	0.1
85.02899	1.7
88.82141	0.1
91.05470	1.0
93.07050	0.3
95.05000	0.6
96.05748	0.2
97.02879	1.5
99.04443	0.3
101.97121	0.1
103.04001	0.2
103.05460	0.9
105.03336	0.1
105.04578	0.1
105.07027	2.5
106.04156	1.0
107.01325	0.6
107.04940	2.1
109.02865	1.8
111.04430	0.2
113.02394	0.2
115.05453	0.7
117.07002	0.4
118.04133	0.2
119.08625	0.2
121.02847	0.2
121.06499	0.8
122.03668	0.3
123.04419	4.4
124.05215	1.8
125.02341	1.0
127.03898	2.5
129.07010	0.2
131.04935	0.3
131.08597	0.1
132.05701	0.3
132.20876	0.2
133.02855	0.2
133.06480	2.2
134.03613	0.2
135.04413	0.4
135.08044	0.4
137.02327	0.2
137.05969	0.7
141.06998	0.3
143.03394	1.5
143.06064	0.2
143.59587	0.1
145.06491	0.6
147.04442	0.2
147.08060	0.3
149.05966	1.0
151.03896	1.4
151.07498	0.3
152.04654	1.3
153.01816	33.6
153.02866	1.5
154.02141	1.1
157.06436	0.3
160.05182	0.2
161.05968	2.2
162.06461	0.2
163.03929	0.6
163.07550	0.8
166.06212	0.2
167.07019	100.0
168.07379	4.0
169.06453	0.3
171.02863	2.5
171.04326	0.3
173.05986	0.5
175.07524	0.5
177.05434	0.3
178.06241	0.3
179.06987	0.5
181.04947	0.7
181.08566	2.1
182.07286	0.2
182.08966	0.2
187.07559	0.5
190.06151	0.2
191.07025	0.2
192.07745	0.2
193.08583	8.1
194.08926	0.3
195.10117	0.6
197.06039	0.2
197.09459	0.2
203.07013	0.3
205.08575	0.7
207.10229	0.7
209.08023	0.4
211.09621	8.3
212.09962	0.5
213.03941	0.5
213.09138	0.3
213.11191	3.1
217.08517	0.3
219.10141	0.3
221.08028	0.3
223.09569	0.4
225.09094	0.2
227.07002	0.3
231.10222	0.2
235.09726	0.8
237.03848	0.2
237.11139	0.3
239.09119	0.4
241.08621	0.4
243.06400	0.2
247.09596	0.4
249.11082	0.2
253.10837	0.2
255.04855	0.4
259.09607	0.2
277.10568	0.4
289.03384	2.0
290.03836	0.2
297.05994	2.6
301.10678	0.8
303.12137	0.5
315.07043	3.3
316.07431	0.2
316.99722	0.2
317.02908	2.1
318.03400	0.3
319.04181	0.4
319.11716	2.0
321.13110	0.6
337.12589	0.5
345.09586	0.2
363.10724	1.0
505.68036	0.2
561.10284	2.4
562.10236	0.5
701.46844	0.3
737.44879	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34433	0.1
53.03940	0.3
55.01875	0.2
55.05505	0.3
57.03426	0.2
67.05502	0.5
69.03426	0.7
69.07051	0.3
71.04980	0.3
71.31828	0.2
79.01851	3.5
79.05487	0.6
81.03418	1.8
81.07056	0.7
83.04980	0.3
83.08587	0.2
84.82275	0.1
85.02911	0.3
91.05484	0.6
93.07040	1.4
95.04956	0.5
95.08606	0.5
96.74744	0.1
97.02902	1.6
97.06536	0.2
99.04462	0.3
103.05473	0.3
105.07024	0.5
107.01308	0.9
107.04946	0.4
107.08582	0.5
109.02873	1.7
109.10161	0.6
111.04395	0.2
117.07015	0.2
119.08578	0.4
121.06522	0.3
121.10143	1.0
123.04419	0.2
125.02327	2.4
127.03915	1.8
131.04930	0.3
133.02022	0.1
133.10104	0.3
135.08093	0.2
135.11703	0.2
137.05971	0.6
137.09601	0.2
143.03395	4.9
145.10127	0.2
147.11641	0.2
149.09604	0.4
151.03964	0.2
151.07536	0.2
153.01822	100.0
153.02856	4.4
154.02155	2.8
159.04385	0.2
161.05975	0.3
163.03979	0.1
163.07495	0.2
163.11195	0.3
165.09100	0.2
167.07036	2.3
167.10667	0.3
171.02885	2.3
177.05408	0.2
181.01324	0.5
181.08591	0.4
183.02850	0.2
191.03479	0.1
191.10762	0.1
193.08611	0.4
205.04884	0.3
205.08563	0.3
209.11678	0.3
211.09599	0.3
217.05016	0.3
225.07649	0.2
227.12816	0.4
233.04509	0.8
237.03836	0.2
243.02823	0.3
253.25185	0.2
261.03915	1.2
279.04980	0.9
283.15414	0.3
286.04358	0.1
297.06030	4.8
298.06430	0.2
449.06857	0.4
467.08157	3.1
468.08310	0.2
491.26227	0.2
509.27167	0.2
606.22504	0.2
737.36823	0.2
738.37616	1.0
739.26404	0.4
739.39490	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	0.2
53.03947	0.2
54.39808	0.1
55.01870	0.2
55.05508	1.5
67.05501	0.1
67.19240	0.1
68.99781	0.1
69.03567	0.8
71.05015	0.1
79.01852	4.0
79.05473	0.1
81.03423	1.3
82.64900	0.1
83.04979	12.0
83.10051	0.1
84.05315	0.3
85.02892	0.1
87.00825	0.1
91.05499	0.1
95.01296	0.1
97.02890	1.3
99.04447	0.2
99.15347	0.1
105.07032	0.1
107.01317	1.0
107.08667	0.1
108.22599	0.1
109.02880	1.7
109.10172	0.1
123.00788	0.2
123.08076	0.1
125.02351	2.4
127.03918	1.3
131.04919	0.2
133.10172	0.1
137.05939	0.1
137.09668	0.1
143.03395	5.0
144.03731	0.1
153.01823	100.0
154.02158	2.7
154.03185	0.1
155.10751	0.1
159.04366	0.4
161.06052	0.1
163.03917	0.1
163.07536	0.1
167.07045	0.1
171.02882	2.3
171.04314	0.2
173.47723	0.1
175.03955	0.1
177.05426	0.2
181.01328	0.2
183.02988	0.1
187.03784	0.2
191.03493	0.1
191.14304	0.1
197.00786	0.2
205.04962	0.4
207.02962	0.1
209.08136	0.1
215.03334	0.2
217.04970	0.2
219.13809	0.2
233.04448	1.1
235.06020	0.1
237.03969	0.2
237.14836	1.6
243.02771	0.4
251.05470	0.1
255.15970	0.3
261.03970	1.3
262.04337	0.1
279.04950	1.1
297.06046	4.1
298.06299	0.2
315.07056	0.1
405.62921	0.1
449.07077	0.6
467.08191	2.9
468.08386	0.2
549.12042	0.2
568.74805	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	738.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.6
55.01869	0.5
61.02638	0.5
61.02925	6.0
65.03934	0.9
67.05494	0.6
69.03429	0.7
69.19032	2.3
71.46854	0.3
78.04698	1.3
79.04460	0.3
79.05515	1.4
81.03414	2.0
81.07045	0.9
83.04980	1.1
85.02903	0.8
91.05467	0.8
93.03400	1.2
93.07032	0.6
94.04214	0.4
95.04962	2.4
97.02898	0.8
97.06509	0.3
99.04420	0.4
103.05485	0.6
105.07017	0.4
106.04182	1.4
107.04969	1.8
108.02082	0.7
109.02875	0.9
109.06532	0.5
111.04443	0.7
112.15290	0.4
119.04957	0.4
121.02892	0.5
121.06454	1.1
122.03609	0.4
123.04435	6.1
124.05219	1.5
125.05992	1.1
127.03909	0.5
131.04962	0.8
134.03627	0.3
135.04431	1.5
137.05963	2.0
139.07527	1.9
140.04700	0.6
141.05382	0.4
143.03372	0.3
147.04375	0.5
148.05273	0.3
149.05974	1.8
151.03905	28.2
151.04982	1.8
152.04665	1.6
153.01837	7.7
153.03047	0.5
153.05414	0.7
153.09064	0.5
154.07617	0.3
155.07024	1.2
163.03975	0.4
163.07536	0.9
165.05583	0.3
167.07034	100.0
168.07390	3.4
169.04955	3.9
171.34995	0.3
177.05450	1.0
181.08597	0.5
183.06514	2.2
187.07622	0.3
193.08588	0.5
195.06400	0.4
206.04480	1.1
209.08093	4.7
211.09593	0.5
211.17120	0.3
227.09134	19.6
228.09572	0.8
271.09674	1.0
295.08200	1.8
313.09171	3.4
342.29501	0.4
354.48016	0.3
422.69943	0.3
487.35745	0.3
556.44824	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.01864	0.5
65.03926	0.5
69.03434	1.1
79.01842	2.0
79.05492	3.1
79.77880	0.3
81.03419	3.9
85.02899	1.3
91.05479	2.1
94.02164	0.3
95.04965	0.7
97.02879	2.3
99.04464	0.8
103.05470	3.0
105.07018	3.4
107.01299	1.0
107.04948	29.5
107.08594	0.8
108.04443	0.8
108.05187	0.5
109.02881	2.2
111.04461	0.6
115.05450	2.3
116.74274	0.3
117.07021	0.6
120.05763	0.9
121.06518	0.8
123.04404	0.6
125.02331	1.9
125.05948	0.7
125.42146	0.3
127.03915	3.2
131.04903	0.8
135.08043	9.8
137.05965	1.6
139.03864	0.4
143.03380	2.3
145.04907	0.5
145.06502	0.4
145.07547	0.7
147.04411	0.6
151.03874	1.2
152.04514	0.4
153.01820	46.3
153.02859	1.9
154.02145	1.4
154.06227	2.4
163.07529	16.0
164.07860	0.8
165.05528	0.6
167.07036	15.9
168.07361	0.6
171.02881	3.8
175.07567	0.6
180.07809	3.0
181.08557	0.5
187.07599	0.6
191.15941	0.4
193.08658	0.6
195.10155	100.0
196.10498	4.4
205.08612	0.4
207.10159	1.1
209.11685	0.5
219.10237	0.9
221.08182	0.5
223.09677	0.8
228.80048	0.4
237.11189	1.2
255.04935	0.7
261.11282	0.6
285.11133	0.6
297.06052	2.7
303.12137	2.3
315.07089	2.7
321.13361	0.6
347.11139	0.7
465.20230	0.4
646.99951	0.4
739.26056	1.7
766.58838	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
55.01870	0.5
57.03439	0.4
67.05505	0.3
69.03416	1.0
69.46288	1.3
77.03956	0.3
79.01853	1.7
79.05490	3.4
81.03416	3.9
85.02914	1.4
91.05479	2.0
93.07049	0.4
95.04945	1.5
97.02879	2.1
103.05473	3.1
105.07021	4.0
106.04144	0.3
107.01331	0.9
107.04948	34.3
107.08588	0.7
108.04494	1.0
108.05275	0.7
109.02868	2.7
111.04428	0.5
115.05466	2.1
117.07024	0.9
119.04935	0.6
120.05732	0.9
121.06483	0.4
123.04426	0.6
124.05208	0.8
125.02367	1.7
125.06007	0.9
126.05505	0.4
127.03910	2.8
131.04913	0.7
133.02872	0.2
135.08035	10.5
135.09061	0.6
136.08376	0.4
137.05968	1.1
143.03406	2.0
145.04916	0.4
145.06526	0.4
145.07590	0.7
147.04376	0.5
151.03894	0.4
153.01819	44.5
153.02870	2.0
154.02171	0.7
154.06233	2.6
159.08057	0.3
161.05981	0.4
163.07535	15.7
164.07872	0.9
165.05510	0.8
167.07027	17.4
168.07301	0.7
171.02885	3.5
175.07538	0.6
180.07800	3.1
181.04913	0.4
181.08501	0.5
187.07539	0.7
193.08554	0.3
195.10153	100.0
196.08847	0.4
196.10535	4.3
205.08531	0.5
207.10187	0.8
209.11714	0.5
211.07561	0.3
213.03955	0.4
213.11208	0.4
219.10104	1.0
223.09566	0.5
225.08934	0.3
229.08556	0.3
237.11224	1.3
255.04892	0.4
261.11176	0.5
297.06021	2.5
303.12189	3.4
315.07062	2.7
321.13309	0.9
347.11206	1.1
739.17560	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00319	0.2
53.03942	0.6
54.04303	0.1
55.01868	0.7
65.03940	0.4
66.84364	0.1
67.05492	0.2
67.15712	0.1
69.03431	0.4
77.03908	0.2
78.04671	0.2
79.01855	0.7
79.05490	4.2
81.03407	1.3
81.07002	0.1
85.02888	0.7
91.05470	2.2
93.07029	0.3
95.04970	1.8
97.02882	0.8
103.05459	3.7
103.06164	0.2
105.04506	0.4
105.07025	4.4
107.01295	0.4
107.04945	38.5
107.08569	0.6
108.05270	0.8
109.02879	0.9
109.06494	0.3
110.03668	0.2
111.04423	0.3
115.05444	2.7
117.07021	1.4
119.04919	0.3
120.05730	1.1
121.06484	0.3
123.04432	0.6
124.05206	0.9
125.02330	0.5
125.05999	0.6
127.03915	1.1
127.74713	0.2
127.95827	0.1
131.04916	0.7
131.08536	0.2
133.06494	0.2
135.08041	10.6
136.08391	0.4
137.05995	0.7
139.03909	0.5
139.07512	0.2
143.03415	0.7
145.06541	0.3
145.07603	0.8
145.10059	0.2
147.04379	0.8
148.05136	0.3
149.05971	0.2
149.09656	0.2
151.03899	0.3
152.04634	0.4
153.01813	14.7
153.02853	0.5
154.02164	0.6
154.06238	3.1
158.07349	0.2
163.07533	17.4
164.07816	0.9
165.05472	0.8
167.07025	20.9
168.07339	0.7
171.02856	1.1
180.07785	3.5
181.04909	0.2
181.08499	0.6
182.08852	0.2
187.07524	0.4
193.08470	0.2
194.09344	0.2
195.10146	100.0
196.10480	4.5
201.09068	0.3
205.08572	0.2
207.10248	0.4
208.78539	0.2
209.11760	0.3
213.03928	0.2
213.11192	0.5
219.10141	0.4
223.09573	0.4
233.11629	0.3
237.11232	0.5
279.12244	0.2
285.11066	0.2
297.06015	0.6
298.06351	0.2
303.12207	1.5
315.07019	1.2
321.13437	0.4
347.11368	1.0
385.57306	0.2
433.22595	0.2
473.14438	0.2
739.24908	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.6
55.01875	13.5
55.05510	49.5
57.03436	26.8
57.07068	2.5
59.05000	47.3
61.02933	5.4
65.03933	4.1
67.05502	99.4
68.05818	3.0
69.03419	7.4
69.07062	9.7
70.06583	3.8
71.01366	1.5
71.04994	16.5
73.02923	1.8
79.05490	39.8
79.08365	1.1
80.05796	1.3
81.03416	26.9
81.07054	45.5
82.07381	2.5
83.01335	10.3
83.04977	21.9
83.08615	28.9
85.02903	13.9
85.06539	4.0
86.09665	1.6
87.04465	66.4
91.03945	1.6
91.05479	27.7
93.07040	37.4
95.04964	12.8
95.08605	17.3
97.02898	9.7
97.06525	8.7
97.10158	21.2
99.04451	24.0
103.05477	2.2
105.07030	18.9
107.04944	15.9
107.08583	27.1
109.06499	8.9
109.10150	60.8
110.44535	1.1
111.04462	6.1
111.08086	5.1
115.03894	1.7
117.07017	11.4
119.08581	16.7
121.06519	6.8
121.10126	14.3
123.04385	2.1
123.08058	10.2
125.06046	3.0
125.09623	19.7
127.03896	2.4
129.05508	2.7
129.07011	3.3
130.07764	2.1
131.04950	1.6
131.08521	7.7
133.06516	2.2
133.10117	5.7
135.08060	4.2
135.11694	18.1
137.05992	5.5
137.09595	6.6
139.07574	1.9
143.10635	1.8
145.06419	2.5
145.10115	20.8
147.04422	1.2
147.08063	4.4
147.11725	2.2
149.05930	1.8
149.09639	3.6
149.13257	1.3
151.03893	4.0
151.07530	1.4
151.11243	1.8
153.05484	1.2
153.12703	6.2
155.08546	3.8
155.10675	4.3
155.67880	1.2
157.10100	2.7
159.08018	1.5
163.07558	3.4
163.11180	35.9
164.08363	3.3
164.11528	1.6
173.09625	7.3
173.11728	23.8
175.11240	1.3
181.12239	7.9
189.11017	1.9
191.10655	6.6
193.08633	1.3
193.12288	4.1
199.13289	13.5
203.06895	1.7
205.08662	1.6
209.11684	14.2
209.99902	1.3
223.13341	2.2
227.12743	12.5
229.14337	63.8
230.14746	4.9
241.14366	5.4
257.13852	2.1
267.15854	9.1
283.15378	96.3
284.15570	6.1
285.16995	2.6
311.14960	4.8
315.18103	9.4
327.12430	1.5
333.20230	1.4
349.12628	1.7
407.24280	5.1
425.25299	19.3
426.25549	2.4
437.25333	100.0
438.25742	12.3
459.27356	3.6
477.28671	3.3
491.26416	1.8
514.40759	1.3
523.28918	2.2
541.29877	2.3
738.38794	2.2
739.28564	12.6
739.38995	1.6
748.10510	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3902
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66162	1.4
53.03936	5.4
53.37002	1.2
55.01867	13.3
55.05509	45.9
57.03436	29.1
57.07079	2.2
59.05000	36.7
61.02915	5.1
65.03931	3.8
67.05502	72.5
68.05825	1.5
69.03432	8.2
69.03746	1.6
69.07064	12.1
71.01334	2.3
71.04988	20.1
71.10995	2.5
73.02894	1.7
77.03928	1.5
79.05489	43.7
81.02962	2.4
81.03416	32.0
81.07056	40.3
83.01335	10.1
83.04971	21.0
83.08614	26.6
85.02898	16.2
85.06544	3.0
87.04464	38.3
91.03941	1.5
91.05478	24.3
91.44459	1.4
92.05797	1.6
93.07041	37.2
94.07357	2.0
95.04960	13.7
95.08600	17.7
97.02904	9.9
97.06525	8.0
97.10162	23.4
99.04456	28.9
99.08083	1.6
101.06003	1.8
103.05478	1.7
105.07025	18.2
107.04958	11.7
107.08591	26.7
109.02862	2.3
109.06512	10.3
109.09426	2.5
109.10149	48.7
111.04444	7.3
111.08085	5.1
113.05996	2.1
115.03931	1.9
115.61221	1.3
116.06255	1.4
117.07020	11.0
119.08581	19.1
121.06484	8.7
121.10126	12.5
123.04462	3.3
123.08064	9.7
123.11729	1.5
125.05980	3.4
125.09626	21.9
126.09959	1.7
127.03926	3.1
129.06993	5.9
130.07739	2.2
131.08545	8.6
133.06480	4.9
133.10127	4.6
135.08015	3.7
135.11684	13.9
137.05971	5.0
137.09613	5.3
139.07573	2.1
141.05431	1.3
143.08589	3.0
143.10660	3.1
145.06476	2.4
145.10120	18.5
147.04370	1.9
147.08044	3.6
147.11594	3.1
149.05904	1.5
149.09592	2.2
151.03896	2.9
151.07503	1.9
151.11247	1.8
153.01816	3.8
153.12737	5.7
155.08569	1.8
155.10645	3.6
157.06531	1.4
157.10065	3.0
159.08031	1.9
159.11668	1.9
161.05978	2.4
163.07574	2.5
163.11174	32.3
164.11446	1.5
165.09099	4.4
167.07030	2.2
173.09645	5.2
173.11761	20.4
173.13190	1.4
175.11111	2.6
177.09129	1.6
181.12253	7.1
185.50645	1.4
189.09096	2.9
191.10655	8.7
193.12190	5.9
199.13264	16.7
209.11716	20.4
211.13260	3.5
219.10216	1.5
223.13242	4.1
227.12733	13.6
229.14345	50.8
230.14568	2.2
241.14284	7.1
257.13849	1.4
265.14252	1.7
267.15906	15.6
269.17426	2.2
277.94409	1.3
283.15384	100.0
284.15738	4.9
285.16940	3.0
299.12720	2.0
311.14886	5.3
315.18048	10.4
385.23480	1.8
407.24258	6.1
408.24536	1.5
425.25296	23.6
426.25461	1.9
437.25296	73.9
438.25769	7.2
459.27505	6.1
477.28287	5.9
491.26300	1.9
509.27365	1.8
523.28986	4.4
541.29742	5.7
559.32715	4.1
738.29102	3.5
738.41791	13.7
739.29504	5.9
739.40979	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.4777
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	13.8
55.05500	26.2
57.03424	13.1
63.59153	11.1
67.05495	66.8
69.07056	22.3
71.00241	23.8
71.00571	10.4
79.05473	67.7
81.07050	68.1
83.08583	13.0
85.43075	12.8
91.05463	53.0
93.07040	79.8
95.04957	16.7
95.08606	55.1
97.10152	15.6
102.19618	11.5
105.07014	31.9
107.08582	23.6
107.65283	10.0
109.10141	19.9
117.06931	12.1
119.08565	22.7
120.19239	13.0
121.10078	12.4
129.06953	17.8
133.10066	25.6
142.57375	11.8
147.11646	27.8
154.15199	10.8
161.13281	13.4
171.11638	22.2
207.13849	25.9
281.17252	53.3
286.38672	10.9
321.40460	14.4
323.09329	11.4
333.79309	10.6
335.25732	53.0
486.73920	15.3
541.38428	100.0
566.83740	13.1
643.60083	12.8
687.19226	13.5
708.07153	14.9
738.46625	21.0
739.42450	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	740.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.2
55.01865	0.3
57.07060	0.6
64.62236	0.1
67.05499	0.2
69.03418	0.5
70.61914	0.3
70.62251	0.2
79.01847	3.6
81.03413	1.1
81.07028	0.1
81.78905	0.1
83.04967	0.3
85.06546	0.3
85.33453	0.1
87.00797	0.1
90.32124	0.1
97.02888	1.4
103.05437	0.1
107.01318	1.0
109.02876	1.7
109.10149	0.3
116.06354	0.1
125.02333	2.7
125.03195	0.2
125.05959	0.2
127.03911	1.7
131.04915	0.3
137.05995	0.2
137.09625	0.2
139.03891	0.3
143.03389	5.7
144.03745	0.2
149.06013	0.1
153.01820	100.0
153.02863	4.4
154.02150	2.7
154.03354	0.2
155.10660	0.9
159.04393	0.3
163.03952	0.2
167.07005	0.2
171.02887	2.3
177.05461	0.3
181.01344	0.4
185.08131	0.2
191.03477	0.1
191.83391	0.2
198.15915	0.2
205.04955	0.5
215.03372	0.2
217.04863	0.2
233.04471	0.8
237.04010	0.3
239.16429	0.6
242.05655	0.2
243.02823	0.3
261.03995	1.0
263.35242	0.1
279.05057	1.1
297.06009	4.4
298.06238	0.3
449.07504	0.3
467.08182	3.3
468.08624	0.3
577.55823	0.1
579.32361	0.1
691.67737	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00312	0.1
53.03940	0.2
55.01868	0.2
57.07073	0.2
67.05500	0.1
68.61285	0.1
69.03431	0.6
69.84958	0.4
79.01852	3.4
79.05484	0.1
80.02181	0.1
81.03417	1.4
81.07055	0.2
83.04990	0.1
85.02926	0.1
85.06525	0.1
87.00822	0.2
92.77445	0.1
93.07047	0.2
97.02894	1.4
99.04455	0.2
105.07047	0.1
107.01325	1.1
109.02873	1.8
109.10141	0.4
121.10146	0.2
123.00794	0.2
125.02345	2.3
127.03914	1.5
131.04930	0.2
137.05930	0.1
143.03395	4.6
144.03680	0.1
153.01825	100.0
153.02867	4.6
154.02156	3.1
154.03169	0.1
155.10654	0.3
159.04393	0.2
161.05930	0.1
163.03922	0.2
167.07066	0.2
167.10635	0.1
171.02887	2.1
171.04333	0.2
177.05492	0.3
181.01314	0.3
186.01265	0.1
187.03711	0.1
191.03380	0.1
197.00874	0.1
205.05017	0.4
215.03391	0.3
217.04953	0.1
233.04396	0.9
237.03923	0.2
243.02850	0.3
261.03979	1.2
279.04941	0.8
297.06055	3.9
298.06424	0.1
315.06927	0.1
409.42966	0.1
449.06976	0.2
465.41443	0.1
467.08191	2.2
468.08572	0.3
487.23294	0.1
703.80841	0.1
743.90802	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	740.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
55.01870	0.2
58.72246	0.2
61.02927	6.5
62.05295	0.2
65.03909	0.3
66.04729	0.2
69.03416	0.8
71.09273	0.4
78.04709	1.4
79.01853	0.7
79.05500	1.5
81.03424	1.4
81.07063	0.6
85.02918	0.9
91.05470	0.6
91.82622	0.2
93.03398	0.6
93.07041	0.4
95.04985	1.9
97.02910	1.0
97.06478	0.2
99.04472	0.3
103.05454	0.7
105.03393	0.2
105.04512	0.2
105.07037	0.5
106.04172	1.8
107.04971	1.5
109.02877	0.9
109.06532	0.5
113.88409	0.2
118.52596	0.2
121.06510	1.4
122.03654	0.2
123.04430	6.3
124.05237	2.0
125.02348	0.6
125.05959	0.5
127.03909	1.2
131.04900	1.3
133.06471	0.4
134.03586	0.2
137.05966	2.1
139.07524	1.7
140.04640	0.5
143.03384	0.5
145.04958	0.3
147.04417	0.6
149.05989	2.1
150.06842	0.2
151.03862	1.0
152.04663	1.4
153.01831	18.1
153.02895	0.8
153.09062	0.3
154.02199	0.5
155.06987	0.7
163.03923	0.2
163.07556	1.4
164.08311	0.6
165.05457	0.2
165.09114	0.3
167.07037	100.0
168.07385	3.3
171.02885	2.2
175.07501	0.2
177.05534	1.0
177.09198	0.2
179.06978	0.2
181.08583	0.8
183.06529	1.7
193.08560	1.1
195.06514	0.3
201.09189	0.2
203.07224	0.2
205.15141	0.2
207.10336	0.2
209.08069	4.3
209.15338	0.3
210.08360	0.3
211.09624	1.5
213.03934	0.4
227.09137	20.1
228.09506	1.1
229.08656	0.3
243.10228	0.2
247.09700	0.4
255.05046	0.3
271.09595	0.9
289.10757	0.3
297.06058	1.9
315.06955	2.5
316.07440	0.2
742.96948	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.8
55.01874	18.3
55.05511	30.2
57.03437	27.2
57.07078	4.1
59.04999	7.3
61.02932	3.3
65.03926	2.2
67.05505	55.3
67.05869	2.7
68.05865	1.7
69.03429	5.9
69.07066	12.8
71.01354	1.8
71.05006	4.8
73.02920	5.5
79.05494	38.0
81.03418	100.0
81.07057	37.0
82.03754	2.3
82.04196	2.8
83.04982	22.9
83.08623	28.4
83.34133	1.3
85.02911	8.8
85.06541	3.1
87.04474	6.0
91.05481	39.9
93.07040	28.0
95.04969	44.1
95.08608	18.5
96.05276	1.5
97.02855	6.3
97.06530	11.0
97.10173	15.7
98.07315	4.6
98.22581	4.0
99.04468	3.9
99.08082	3.0
103.05481	2.0
105.07033	20.0
107.04951	18.3
107.07914	2.4
107.08587	20.7
109.02913	2.3
109.06509	7.6
109.10159	24.3
111.04424	9.2
111.08096	13.8
115.05471	2.8
116.04715	13.4
116.22511	1.3
117.05519	3.3
117.07019	9.1
118.97247	1.2
119.04918	1.9
119.08593	22.5
121.02898	5.0
121.06518	7.7
121.10137	11.6
123.04447	1.8
123.08084	5.7
123.11697	1.4
125.09634	16.5
129.05479	29.9
129.06978	11.5
131.04927	1.8
131.08577	14.5
133.06494	5.7
133.10136	13.4
135.04393	2.4
135.08093	6.2
135.11691	10.7
137.05981	2.0
137.09624	5.3
141.07053	1.8
142.07803	2.8
143.07042	7.8
143.08543	1.7
143.10641	1.6
145.10092	9.1
147.04431	2.0
147.08005	7.0
147.11679	15.0
149.09663	7.4
153.01881	5.6
153.09081	2.6
153.12724	17.2
155.08624	1.7
155.10681	2.5
157.08618	14.2
157.10144	14.7
161.09665	2.6
163.11172	15.7
165.12782	2.5
167.10806	1.5
171.10155	6.6
173.09657	3.1
173.11734	6.1
173.13181	2.2
175.11195	13.3
181.12247	13.4
183.11818	2.3
187.11165	2.1
189.11224	11.0
191.10648	8.7
193.12234	39.6
194.12614	2.3
199.13351	5.7
201.12712	2.3
201.14934	2.6
203.14323	1.9
205.12267	1.9
209.11716	9.0
211.13286	12.6
213.12875	1.4
219.13850	4.3
227.12753	25.3
229.14357	17.2
231.13826	2.9
247.13341	21.1
249.14920	3.7
259.13315	2.3
267.15912	67.7
268.16425	3.4
283.15448	7.8
285.16928	6.9
301.16470	35.7
321.16904	8.7
338.34781	1.4
383.21841	2.1
401.23248	1.7
421.25845	3.1
439.26846	10.1
457.25769	1.4
458.26709	2.1
459.26962	2.7
475.26889	10.6
476.27460	3.1
493.28021	25.3
494.28027	3.9
761.01971	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.6
55.01876	9.1
55.05513	38.5
55.30273	0.9
56.05854	1.0
57.03437	26.3
57.07082	2.5
59.04697	1.7
59.05002	33.5
61.02928	4.8
65.03944	3.8
67.05505	100.0
67.60159	0.9
68.05845	2.4
69.03432	9.5
69.07070	13.1
69.84946	4.4
71.01350	2.1
71.04990	15.7
73.02921	2.3
75.71838	0.9
76.64670	0.9
77.03899	1.0
79.01865	2.1
79.05493	47.7
80.05857	1.5
81.03417	72.3
81.07057	47.1
82.03758	1.2
82.07395	1.3
83.04983	22.8
83.08624	30.5
85.02902	24.5
85.06569	5.7
85.06997	0.9
87.04465	40.5
91.03941	1.6
91.05480	45.0
92.05833	1.2
93.07039	31.1
93.07600	1.8
95.04414	2.0
95.04976	26.7
95.08604	21.4
97.02907	9.8
97.06525	8.0
97.10165	18.9
99.04456	17.1
99.08092	2.2
103.05485	1.4
105.07028	28.5
106.07354	1.1
107.04954	12.5
107.08592	16.4
109.02896	2.2
109.06516	7.8
109.10157	71.9
110.10452	1.1
111.04449	8.5
111.08087	13.4
112.99373	1.0
113.06032	2.8
115.03857	1.2
115.05482	2.3
117.05580	1.0
117.07021	5.2
119.04960	2.1
119.08581	26.4
121.02897	1.3
121.06507	4.2
121.10134	11.3
123.08089	4.4
123.11720	2.9
125.02371	1.9
125.06042	1.2
125.09614	13.9
127.03919	3.9
129.05502	2.3
129.07010	14.7
131.04955	1.7
131.08575	14.4
133.06499	4.3
133.10124	15.4
135.08078	2.2
135.11710	6.5
137.05984	3.0
137.09619	5.1
142.07799	4.4
143.03459	2.2
143.10681	1.6
145.10130	6.8
147.08040	6.1
147.11670	15.6
148.12137	1.2
149.09630	6.8
151.03879	1.3
153.01831	67.8
153.02882	2.8
153.12749	7.0
154.02158	1.9
155.08589	1.1
155.10675	6.2
157.10117	17.3
159.11719	1.5
163.11174	10.0
165.12762	3.0
171.02826	2.4
173.09608	2.1
173.11714	21.6
175.11186	16.1
181.12189	4.9
189.11259	1.9
191.10698	3.7
193.12244	55.6
194.12590	2.9
199.13315	9.9
205.12292	1.2
209.11823	4.7
211.13292	67.4
212.13654	3.5
217.14296	1.8
219.13821	1.3
223.13310	2.4
227.12746	10.8
229.14346	71.9
230.14738	3.3
241.14296	4.7
247.13387	2.8
249.14893	2.7
265.14499	1.1
267.15903	35.7
268.16312	2.6
279.05084	1.3
283.15424	5.7
285.16959	42.9
286.17300	3.1
295.15363	2.0
297.06064	3.3
301.16602	1.8
313.16443	2.7
315.18015	7.3
348.99362	1.1
391.24911	2.1
401.22897	1.5
409.25748	3.5
421.25787	22.6
422.26181	2.5
427.26889	6.8
439.26920	76.4
440.27200	7.4
452.01889	1.0
457.25720	1.8
461.29120	4.0
467.08176	3.0
467.26239	1.5
475.26932	8.5
476.27301	1.3
479.29813	1.4
493.27908	4.4
507.29556	1.4
525.30493	7.4
543.31567	3.1
740.28119	2.4
740.41125	1.5
741.26874	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.9
55.01869	2.1
55.05511	8.1
57.03446	4.2
57.07063	1.0
59.96443	0.5
61.02915	0.8
65.62026	0.7
67.05504	23.4
69.03418	2.1
69.07065	4.9
69.18639	5.0
71.04992	10.9
73.55321	0.6
79.05493	13.1
79.33156	0.6
81.03419	21.6
81.07056	32.6
82.07364	1.0
83.04955	3.1
83.08614	6.4
85.02888	1.3
85.06535	4.0
86.09706	1.4
87.04466	0.8
91.05478	14.8
93.07041	12.0
95.04966	13.4
95.05536	1.2
95.08609	6.0
97.02899	1.2
97.06521	2.8
97.10178	4.3
99.04433	0.8
105.07027	9.8
107.04948	8.1
107.08588	8.5
109.02905	0.6
109.06516	7.9
109.10154	5.2
111.04481	0.7
111.08096	2.7
115.05402	0.8
117.07004	5.4
119.08559	6.1
121.06513	7.3
121.10133	5.2
123.04470	0.9
123.08076	2.1
123.11703	4.3
125.09602	3.2
129.06996	4.1
131.08571	9.0
133.06467	1.9
133.10130	8.7
135.08078	2.3
135.11693	1.8
137.05991	1.2
137.09636	0.9
141.06976	1.3
143.08578	2.4
145.06497	2.0
145.10107	3.4
147.08054	2.3
147.11684	3.7
149.09616	3.6
149.13315	1.3
151.07585	0.6
151.11176	2.7
153.01848	1.0
153.09084	0.7
153.12796	0.5
155.08574	0.8
157.10114	3.3
159.08060	1.0
159.11728	2.7
161.05984	0.9
161.09547	1.0
163.07520	0.9
163.11180	2.6
165.12686	0.9
169.10216	0.9
171.11681	2.0
173.13255	1.9
175.11227	3.2
177.12648	1.3
182.86105	0.6
183.11653	1.0
185.13280	0.8
187.13313	1.4
189.09236	0.7
189.11267	1.5
191.14342	1.6
193.12300	4.9
199.14879	0.6
201.12846	0.8
205.12231	0.7
217.16087	1.0
219.13727	3.0
223.13309	0.9
231.13846	0.9
233.15372	1.0
235.13100	0.7
249.14827	0.9
251.16519	0.6
257.17526	0.9
259.17032	0.7
267.15887	9.5
268.16217	0.8
269.17484	1.3
275.16556	1.0
301.14609	0.8
301.20016	3.7
315.23190	0.8
325.21628	1.7
343.22720	4.8
344.22861	0.8
351.23126	1.5
361.23410	1.3
369.24429	2.9
387.24924	0.8
407.25568	1.1
417.26138	3.4
425.26968	1.6
435.27365	15.9
436.27802	1.4
443.27841	10.2
444.28412	1.4
461.28949	100.0
462.29279	13.0
463.77139	0.7
475.30600	1.0
493.31699	4.9
503.30304	0.9
587.32355	1.0
601.34991	1.0
605.32501	0.8
771.26605	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4568
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.3
55.01863	3.6
55.05507	17.1
56.72200	1.8
57.03441	9.8
57.07062	2.8
59.49280	1.8
64.56434	1.9
67.05502	53.5
69.07062	12.0
70.54470	5.5
71.04967	2.4
73.02896	2.4
73.45782	1.8
75.28400	1.8
79.05489	42.5
81.07053	47.9
83.04965	5.0
83.08617	10.1
85.02911	2.9
91.05473	19.5
93.07038	52.3
95.04967	7.7
95.08598	57.2
97.06486	3.2
97.10184	2.7
99.04461	4.1
100.22019	1.9
105.07039	13.8
107.04955	6.8
107.08593	34.5
109.06531	2.2
109.10162	11.5
117.07015	10.5
119.08598	15.5
121.06487	4.9
121.10139	19.1
123.11686	3.8
131.08549	5.9
133.10103	6.9
135.08015	3.0
135.11694	37.0
135.12674	1.4
136.11995	2.4
145.10117	25.9
147.11694	2.6
149.13246	5.1
157.58025	2.2
159.11650	4.0
161.13153	2.6
163.11172	49.5
163.12550	2.4
181.12265	9.7
187.14798	3.1
222.16084	1.9
227.12782	57.2
227.14998	4.0
228.13190	2.9
261.22095	3.5
283.15372	47.3
284.15594	2.7
335.25793	100.0
336.26080	10.2
543.36755	71.7
544.37067	12.8
740.42816	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	740.4574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.1
55.01875	9.6
55.05259	1.7
55.05512	28.4
55.65499	0.9
56.14897	0.8
57.03437	20.2
57.07054	2.3
58.03323	0.9
59.04995	4.9
61.02929	7.8
65.03944	4.8
65.14178	0.8
66.62242	0.7
67.05505	69.7
68.05817	1.2
69.03427	4.4
69.07068	15.5
71.01350	1.4
71.04993	5.1
71.08637	0.9
73.02909	2.5
77.03957	1.2
79.05492	58.5
80.05833	1.8
81.03419	14.7
81.07054	69.4
82.07401	1.5
83.01334	11.3
83.04977	12.1
83.08622	21.1
85.02904	11.8
85.06532	2.2
91.03953	2.5
91.05481	36.1
91.06055	1.9
93.07044	69.2
94.07359	1.7
95.04968	8.9
95.08607	50.2
96.08917	1.6
97.02895	5.6
97.06520	7.6
97.10166	5.8
99.04453	2.3
99.08105	0.9
103.05426	1.1
105.04507	1.7
105.07027	23.0
107.04964	10.2
107.08592	37.1
109.06523	7.9
109.10148	17.3
111.04445	2.2
111.08078	3.5
115.05471	0.9
117.07022	14.0
119.08581	18.2
121.06513	4.0
121.09274	1.5
121.10147	25.4
121.48125	0.8
123.08092	9.5
123.11695	4.7
125.06006	1.6
125.09631	4.5
127.03894	1.0
129.07007	2.7
130.07722	1.5
131.08575	13.5
133.10117	10.6
135.08051	2.8
135.11687	25.9
136.11952	0.9
137.09596	4.0
137.13205	2.1
139.07521	0.9
139.11198	0.9
143.08546	2.7
145.04947	1.2
145.06401	1.4
145.10121	24.1
147.08078	2.3
147.11662	7.8
149.09607	1.6
149.13237	6.8
153.12822	4.0
155.08575	1.3
157.10103	1.6
159.11682	6.1
161.13242	5.2
163.11183	26.7
163.14828	3.6
171.11632	1.8
173.09610	2.9
173.13286	5.6
175.14833	1.8
181.12221	3.8
183.11548	1.1
185.13332	0.9
187.14821	3.3
189.11209	2.4
191.10690	2.9
193.12392	1.5
201.16386	1.4
209.11713	7.5
227.12784	13.4
233.22604	1.2
243.21054	4.0
244.31525	0.9
259.20590	2.1
261.22144	18.0
262.22446	2.0
267.16028	1.0
283.15393	98.7
284.15762	7.5
299.23608	5.4
317.24777	5.1
335.25787	100.0
336.26129	10.2
406.29538	1.0
415.29495	1.1
451.31818	3.0
469.33109	1.5
487.34018	1.0
525.35492	3.9
543.36798	68.0
544.30872	1.0
544.37280	10.6
561.38062	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03726	0.9
53.03933	4.8
55.01878	7.3
55.05516	17.6
55.23466	1.0
57.03439	14.8
57.07080	1.4
59.05007	2.7
61.02939	4.9
65.03939	2.4
66.62256	1.0
67.05508	39.0
68.05834	1.2
69.03436	3.2
69.07069	11.1
71.01335	1.1
71.05003	4.4
73.02910	1.2
79.05041	1.9
79.05496	34.9
81.03425	8.7
81.07058	40.5
83.01344	7.9
83.04987	8.5
83.08629	12.9
85.02908	4.9
85.06573	1.4
86.09721	1.6
91.03964	3.0
91.05483	21.2
93.06451	2.3
93.07047	45.6
94.07375	1.2
95.04981	7.4
95.08610	29.7
97.02918	4.9
97.06528	5.0
97.10188	2.6
99.04477	2.9
99.08116	1.5
105.04530	1.2
105.07027	15.8
106.07365	1.1
107.04966	5.4
107.07924	2.0
107.08600	23.3
109.06534	7.6
109.10158	12.6
111.04457	2.4
111.08080	1.6
117.07016	9.8
119.08585	13.2
121.06525	3.2
121.10151	16.9
122.10527	1.2
123.04411	1.4
123.08043	6.7
123.11736	3.4
124.99969	1.1
125.06052	1.1
125.09632	2.6
129.06969	1.3
130.07831	1.9
131.08574	9.5
133.10141	7.1
135.08043	2.0
135.11708	17.3
145.10127	16.0
147.08124	1.2
147.11661	4.9
149.09602	1.5
149.13281	5.2
153.12744	1.7
155.08534	2.3
159.11708	4.2
161.13313	3.7
163.11201	19.3
163.14893	2.3
173.09648	2.6
173.13251	5.1
175.14839	2.2
180.03842	0.9
181.12245	2.4
184.07323	7.7
185.07674	1.7
189.11273	1.9
191.10713	3.0
193.12274	1.9
209.11696	9.0
211.13284	1.5
227.12788	9.2
243.21158	4.0
261.22137	15.1
267.15988	1.2
283.15396	100.0
284.15778	6.7
299.23703	3.1
317.24792	4.0
333.24164	1.4
335.25803	70.9
336.26135	7.0
433.30829	1.3
451.32004	3.0
469.33545	1.7
515.36865	1.2
525.35773	4.1
543.36804	41.8
544.36969	6.4
561.37775	1.6
622.86572	1.2
741.44128	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.5298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.9
55.01890	0.8
55.05258	1.0
55.05511	14.1
56.37024	0.7
56.51041	0.6
57.03436	7.8
57.07076	5.8
61.02919	2.3
65.03939	1.9
67.05504	42.4
68.16690	0.7
69.06706	1.2
69.07069	18.1
71.04987	1.8
71.08622	2.9
73.02908	0.8
79.05033	0.9
79.05490	14.0
81.07057	48.9
82.07336	0.9
82.74116	0.7
83.04976	1.3
83.08618	10.5
85.02904	2.0
85.06541	2.8
87.45996	0.7
91.03960	0.8
91.05481	12.5
93.07043	16.0
94.07372	0.9
95.04984	1.2
95.08605	30.7
97.02860	1.8
97.06533	3.3
97.10173	4.3
98.22485	1.6
99.08069	3.9
101.05989	0.6
105.07017	8.0
107.08578	8.7
109.06503	0.8
109.10150	11.8
111.08074	1.7
111.11732	1.3
113.09620	1.7
119.08583	7.8
121.10146	9.2
123.08069	1.4
123.11697	7.2
125.09628	1.9
127.11164	0.8
129.05505	1.1
131.08589	2.0
133.10132	8.5
135.11694	7.6
137.09627	1.7
137.13220	3.5
139.11174	0.9
145.10065	2.3
147.11681	6.6
149.13243	4.0
151.11183	1.0
151.14830	1.9
159.11731	1.4
161.13303	3.4
163.14796	1.3
173.13242	1.1
175.14836	2.9
189.16309	1.4
199.88138	0.7
205.19444	0.9
215.17920	3.4
217.19531	8.5
233.19044	3.3
235.20555	8.3
261.22113	0.9
275.03113	0.8
304.26523	0.7
306.70096	0.8
307.22705	2.6
308.75955	0.7
309.24225	100.0
310.24594	7.0
311.25815	6.1
451.38843	1.1
463.37936	1.6
469.40332	2.5
543.44073	22.2
544.44189	4.8
561.45282	8.5
562.45337	2.0
581.40527	0.7
611.50024	1.8
612.50092	1.0
729.98682	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.3
55.01864	0.3
55.05497	0.4
57.03416	0.2
57.07068	0.3
67.05495	0.5
69.03421	0.7
69.07057	0.4
70.92989	0.3
79.01846	3.6
79.05486	0.5
81.03419	2.0
81.07047	0.7
82.03692	0.1
83.04984	0.2
85.02888	0.5
85.06536	0.4
91.05477	0.5
93.07041	0.6
95.04955	0.5
95.08593	0.4
97.02896	1.4
97.06541	0.2
97.10173	0.2
98.59542	0.2
99.04442	0.2
105.07043	0.4
107.01338	0.9
107.08571	0.5
109.02864	1.9
109.10167	0.3
115.26807	0.2
119.08584	0.3
121.10155	0.5
123.00726	0.2
123.04400	0.2
125.02342	2.4
125.09594	0.2
127.03918	1.3
131.04904	0.2
131.08534	0.3
133.10127	0.3
135.08043	0.2
137.06003	0.4
139.11140	0.9
143.02257	0.3
143.03387	5.2
145.10155	0.3
147.04430	0.3
147.11731	0.2
151.03925	0.3
153.01819	100.0
153.02859	4.4
154.02158	3.2
159.04390	0.2
163.03917	0.4
167.07059	0.7
171.02881	2.2
177.05396	0.3
181.01286	0.3
190.21289	0.2
193.12279	0.4
195.03004	0.2
197.00845	0.2
205.04958	0.3
209.11749	0.2
211.13269	0.2
215.03284	0.2
217.04948	0.3
223.16922	0.3
233.04356	1.0
237.04037	0.4
243.02791	0.2
261.03955	1.4
267.15915	0.3
279.04962	0.7
283.15256	0.2
297.02618	0.2
297.06024	4.1
298.06244	0.2
301.16354	0.2
315.06808	0.3
449.07300	0.3
459.27234	0.2
467.08170	3.1
468.08496	0.3
477.28165	0.2
509.27451	0.3
527.28070	0.2
561.82623	0.2
679.12518	0.2
742.38574	0.3
743.34924	0.2
753.77771	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	0.1
53.03939	0.2
55.01869	0.1
55.05506	0.3
57.03424	0.1
57.07086	0.2
67.05505	0.3
69.03421	0.6
69.07055	0.2
70.91272	0.2
70.91595	0.2
71.04996	0.2
79.01852	3.9
79.05486	0.5
81.03419	2.0
81.07088	0.3
83.04964	0.2
85.02901	0.3
85.06531	0.2
85.89381	0.1
87.00815	0.1
91.05464	0.4
93.07050	0.5
95.04955	0.3
95.08596	0.3
97.02897	1.4
97.06535	0.2
97.10165	0.4
99.04426	0.2
105.07024	0.3
107.01317	1.3
107.04969	0.2
107.08579	0.3
109.02885	1.9
109.10152	0.2
111.04436	0.1
117.07043	0.2
119.08569	0.4
121.10157	0.5
123.00759	0.1
123.04423	0.3
123.11716	0.2
125.02342	2.6
127.03921	1.5
131.04941	0.1
131.08546	0.2
133.10149	0.2
137.05978	0.3
139.11188	0.9
143.03398	5.3
147.04431	0.1
153.01826	100.0
153.02872	4.5
154.02159	2.9
155.02173	0.1
159.04384	0.3
163.07513	0.1
167.07010	0.4
171.02888	2.1
177.05438	0.2
177.12814	0.1
181.01302	0.3
182.06876	0.1
183.02960	0.1
187.03905	0.2
189.05458	0.1
193.12149	0.2
197.00847	0.1
205.05000	0.4
206.42503	0.1
209.11850	0.2
217.04886	0.2
223.16969	0.2
233.04474	1.0
237.04039	0.4
241.17924	0.2
243.02858	0.4
256.48450	0.1
261.03949	1.2
279.04956	0.9
283.15570	0.3
297.06042	4.0
298.06415	0.3
315.07233	0.2
449.07150	0.2
467.08258	3.1
468.08521	0.3
477.28342	0.2
742.26221	0.2
742.40143	0.3
743.32562	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
53.28095	0.2
55.01876	2.5
55.05508	1.9
57.03434	1.5
61.02913	0.3
65.03934	0.6
67.01860	0.7
67.05502	5.4
69.03428	1.5
69.07049	1.1
69.83730	0.9
71.04977	0.3
77.03909	0.4
79.05051	0.4
79.05491	6.6
80.05814	0.3
81.03424	3.9
81.06577	0.3
81.07054	5.4
83.01361	0.3
83.04965	1.1
83.08614	1.6
85.02888	1.6
91.05478	4.9
93.03417	0.7
93.07047	4.2
94.04189	0.6
95.04966	2.6
95.08041	0.3
95.08607	3.7
97.02872	0.6
97.06520	0.6
97.10144	0.5
100.63342	0.3
103.05435	1.9
105.04525	0.5
105.07029	11.9
106.07375	0.3
107.04937	1.6
107.08585	2.0
109.02829	0.3
109.06517	1.5
109.10126	1.3
111.04445	0.4
111.08080	0.8
115.05453	11.8
117.07021	1.0
119.04923	0.3
119.08585	2.0
121.02885	0.3
121.10113	1.7
122.03633	1.0
123.04388	0.3
123.08129	0.4
123.11684	0.8
129.06999	0.9
131.04922	0.6
131.08560	1.3
133.05542	0.5
133.06493	7.1
133.10097	1.2
135.04453	1.2
135.08020	0.4
135.11673	1.1
137.05971	20.7
137.13191	0.3
138.06293	0.6
141.07040	0.5
142.07753	0.3
143.04916	2.2
145.06462	0.3
145.10132	0.9
147.11694	1.4
149.05945	0.6
149.09581	0.7
150.06738	0.8
151.02657	0.6
151.03902	10.9
151.07446	0.5
152.04224	0.4
153.05472	0.4
153.07024	0.3
157.10118	1.0
160.05231	0.5
161.05974	44.2
161.13229	0.4
162.06335	1.9
163.07504	0.5
165.06999	0.5
167.08784	0.3
169.10104	0.3
173.13243	0.4
175.07536	0.8
175.11198	0.8
178.07744	1.4
179.08542	4.4
180.08922	0.4
181.06508	0.9
182.07222	0.6
183.07965	0.6
185.13261	0.3
192.05721	0.3
193.10132	0.8
193.12228	2.8
195.08163	0.5
196.08820	2.1
197.09515	2.0
198.10129	0.3
199.07399	0.6
206.07120	0.4
207.06104	0.4
207.08038	6.6
208.08469	0.3
209.05942	0.4
209.09590	0.3
210.06697	0.4
211.07494	1.0
211.11246	0.6
211.13252	3.8
212.13704	0.3
213.05492	0.3
221.09715	0.6
223.07498	0.3
224.08296	4.4
225.09097	5.7
227.07001	0.8
228.07787	0.5
234.06693	0.3
235.07526	12.9
236.07968	0.8
237.05444	0.3
239.10646	6.1
240.11171	0.4
242.09428	0.6
243.10049	0.4
249.09109	1.6
249.11343	0.3
252.07788	3.0
253.08531	3.3
254.09077	0.5
255.06407	0.5
256.07260	0.5
257.11691	1.4
261.22134	1.2
267.10162	15.9
267.15930	1.3
268.10529	0.9
270.08838	1.3
271.97400	0.3
285.11197	100.0
285.16763	3.8
286.11536	8.1
335.25775	6.3
336.26047	0.6
527.36975	0.8
545.38330	7.1
546.38733	1.0
546.78864	0.4
574.86725	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.01866	2.5
55.05510	1.8
57.03428	1.8
57.07065	0.4
59.04971	0.3
61.02924	2.5
65.03937	0.7
65.19048	0.2
67.01867	0.4
67.05505	5.9
69.03431	4.6
69.07075	1.8
69.87730	1.2
71.04994	0.6
73.02900	0.6
77.35718	0.2
79.05041	0.4
79.05493	5.7
81.03419	3.3
81.07061	5.7
83.01318	0.5
83.04967	0.8
83.08614	1.2
85.02905	10.6
85.06544	0.8
87.04467	0.7
91.03959	1.0
91.05481	4.5
93.03398	0.5
93.07042	3.8
95.04978	2.0
95.08603	4.5
97.02885	4.1
97.06527	0.5
97.10156	0.4
99.04449	1.2
99.08105	0.4
103.05463	1.3
105.06348	0.5
105.07031	9.5
105.07743	0.6
107.04954	1.0
107.08588	2.4
109.02879	1.1
109.06500	1.0
109.10161	1.7
111.04432	0.3
111.08075	0.7
115.05456	8.5
116.05783	0.3
117.06996	1.1
119.08593	1.5
121.06485	0.5
121.10142	2.2
122.03660	0.5
123.04422	0.3
123.08057	0.5
123.11695	1.0
125.09623	0.3
125.46974	0.2
127.03915	2.3
129.06975	0.7
131.08580	1.2
133.06500	5.5
133.10120	1.5
135.04408	0.9
135.08028	0.5
135.11691	1.1
137.05972	16.1
137.09558	0.4
138.06296	0.4
143.04936	2.1
145.04927	2.8
145.06021	0.3
145.06512	0.3
145.10139	0.8
147.11703	1.0
149.05986	0.5
149.09637	0.6
149.13202	0.4
151.03914	7.8
151.04991	0.5
151.07535	1.5
153.05467	0.6
155.08595	0.3
157.10077	0.7
159.04280	0.3
159.11655	0.4
161.05977	36.7
161.13266	0.4
162.06305	1.5
163.07533	1.5
165.09090	0.7
169.10098	0.5
173.13210	0.5
175.07547	0.9
175.11162	0.6
178.07773	0.9
179.08537	3.6
180.08850	0.6
181.06433	0.6
182.07230	0.4
184.07329	0.8
192.05727	0.3
193.10262	0.6
193.12274	1.0
195.08076	0.3
196.08835	1.8
197.05949	0.4
197.09596	1.6
199.07503	0.5
206.07074	0.3
207.08035	5.1
208.08562	0.6
208.45474	0.3
210.06700	0.8
211.07524	1.2
211.13322	0.7
221.09607	0.4
224.08324	3.6
225.09081	3.8
226.09492	0.4
227.06903	0.8
227.12662	0.3
235.07521	10.5
236.07919	0.8
237.05386	0.3
237.09007	0.5
239.10638	5.3
240.11096	0.4
242.09401	0.6
249.09038	0.9
252.07759	2.3
253.08562	2.7
254.09105	0.3
255.06491	0.3
256.07147	0.4
257.11685	1.2
261.22229	0.6
267.10150	13.4
267.15982	1.6
268.10483	1.2
270.08856	1.1
277.21689	0.3
283.15439	0.8
284.15707	0.3
285.11200	100.0
285.16757	3.0
286.11536	8.0
286.16629	0.3
287.12766	1.1
335.25775	4.6
336.26141	0.5
337.27396	0.5
447.16449	5.4
448.16788	1.0
527.37128	0.8
545.38403	2.9
546.38635	0.6
742.43237	1.2
743.45544	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	7.0
55.05511	24.4
57.03436	12.9
59.04998	2.4
61.02909	1.0
65.03938	2.0
67.05505	30.9
69.03419	7.5
69.07068	10.6
71.01324	1.2
71.04977	5.4
71.31836	2.2
71.32201	1.1
73.02927	1.5
79.05492	34.9
79.83125	0.9
80.05820	1.0
81.03417	66.3
81.07058	29.6
83.04987	8.7
83.08617	22.2
85.02917	3.8
85.06532	4.2
91.05480	27.5
93.07051	29.8
95.04967	28.0
95.08601	12.6
96.08907	1.4
97.02895	5.0
97.06543	5.7
97.10173	17.9
99.04438	1.2
99.08076	1.1
101.26675	1.1
103.05422	2.9
103.44165	1.1
105.04522	1.2
105.07032	20.9
107.04949	24.5
107.08589	20.7
109.02886	2.2
109.05780	1.3
109.06518	20.4
109.10153	10.5
111.04455	2.5
111.08070	7.2
115.05499	1.6
117.07040	5.5
119.04968	2.4
119.08585	14.5
121.06503	17.9
121.10154	16.2
123.04430	3.1
123.08071	6.7
123.11712	3.0
125.05992	2.5
125.09631	16.9
127.03911	1.5
129.05479	1.8
129.06996	11.0
131.04941	3.5
131.08566	15.0
133.06509	6.6
133.10123	8.1
135.04332	2.2
135.08038	8.7
135.11679	4.4
137.06004	3.9
137.09596	3.5
139.11183	3.5
142.07756	3.1
143.08571	3.6
145.06473	8.1
145.10124	8.3
147.04381	5.1
147.08052	8.0
147.11679	11.6
149.05974	2.5
149.09628	10.8
151.03885	1.2
151.07532	2.2
151.11139	1.3
153.01839	13.0
153.02959	2.1
153.09152	3.4
155.08565	4.1
157.06465	1.5
157.08762	1.8
157.10120	11.2
159.08090	3.6
159.11710	3.1
161.05992	1.9
161.09660	4.1
163.04062	1.3
163.07536	2.7
163.11182	6.1
165.09128	1.5
165.12752	1.3
167.07103	2.0
167.10680	3.3
171.08026	2.1
171.10159	1.4
171.11624	2.0
173.09633	1.8
173.11838	1.4
173.13289	3.9
175.11179	9.3
177.05444	1.6
179.07117	1.1
183.11649	2.2
185.09657	1.4
185.11797	1.6
185.13268	2.4
187.11107	2.2
189.11240	6.8
189.12813	3.1
191.14326	4.8
193.12239	22.6
195.11720	1.6
197.13234	1.5
199.11249	2.2
199.13145	1.5
201.12744	2.2
203.14323	1.6
205.08466	1.1
205.12193	1.6
207.13782	2.1
209.11668	2.5
210.86769	1.2
211.11432	1.6
211.13203	5.4
213.12697	1.2
215.14400	2.3
219.11824	2.2
219.13779	14.1
223.13258	2.1
227.12823	5.1
229.14398	1.7
231.13843	2.5
233.15421	3.9
237.14803	1.4
241.14151	1.3
243.13835	1.3
249.14902	2.1
255.13763	2.0
259.15512	10.3
267.15903	46.6
268.16312	3.9
273.14771	5.2
275.16592	1.5
285.17072	3.7
293.17419	7.2
296.82480	1.2
297.06183	1.2
299.09171	1.3
301.17178	1.2
311.09290	1.1
317.15881	2.3
339.23206	1.9
349.21533	4.8
357.24155	2.0
367.22687	14.9
368.22879	1.3
385.23730	24.7
386.24014	2.5
403.24661	8.9
433.26157	1.4
437.08969	1.2
441.26477	8.1
442.27393	1.2
451.26740	3.9
451.52023	1.3
459.27396	100.0
460.27802	11.4
477.28467	91.1
478.28903	10.7
491.30313	9.2
495.29434	6.9
501.28162	1.4
509.30786	2.1
517.22705	1.3
527.28577	3.5
567.29199	2.3
742.30450	3.7
742.41577	2.5
742.52197	2.5
743.30731	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	742.473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	8.8
55.01867	4.2
55.05509	33.7
57.03437	23.4
61.02921	5.2
65.03937	3.8
67.05498	79.4
69.03413	6.8
69.07063	21.9
69.30749	4.9
69.31152	15.9
69.59750	3.0
71.04981	5.7
79.05489	61.2
81.03411	76.4
81.07048	81.2
83.04972	21.7
83.08611	30.1
85.02898	29.9
85.06556	3.6
91.05470	58.9
93.07034	63.2
93.07583	4.4
95.04955	33.4
95.08603	53.9
96.08934	3.4
97.02901	7.8
97.06544	5.6
97.10181	9.7
98.23335	5.7
105.07019	44.4
106.07340	2.9
107.04971	7.6
107.08582	27.1
107.96710	3.9
109.06531	7.8
109.10143	22.5
111.08067	13.2
113.06010	2.9
115.05512	3.0
117.07032	11.2
119.08557	34.1
119.09283	3.4
121.06460	2.9
121.10139	27.3
123.08084	5.0
123.11701	8.5
125.09604	3.7
128.56972	2.6
129.06998	13.6
131.08571	25.1
133.10118	24.7
135.08044	4.4
135.11687	11.8
137.09595	3.3
145.10138	9.6
147.08040	5.3
147.11659	20.2
149.09636	8.9
149.13271	4.4
156.40625	2.7
157.10104	20.1
159.11674	5.9
161.13177	3.4
163.11189	3.4
165.12746	5.3
173.13237	5.6
175.11208	18.1
193.12234	57.2
211.13277	92.5
211.15347	4.5
212.13583	5.4
223.71875	2.8
243.21106	5.6
261.21960	12.8
267.15930	21.0
278.24954	2.8
285.16937	95.7
286.17282	9.3
295.07620	2.9
305.06287	11.9
317.24902	3.3
331.26996	3.2
335.25751	93.8
336.26080	13.3
527.37085	8.9
545.38324	100.0
546.38605	15.8
622.81921	3.2
631.23785	3.5
742.44000	4.2
743.40631	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	742.4731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.2
55.01866	3.2
55.05507	23.2
57.03436	19.7
57.07066	3.7
61.02914	5.7
61.32701	1.6
65.03909	2.9
67.05503	66.9
69.03435	3.8
69.07065	19.2
69.40167	10.8
71.04991	5.7
73.02931	1.7
79.05037	3.0
79.05492	48.8
81.03413	48.4
81.03895	2.7
81.07051	64.4
82.07365	1.8
83.04977	14.0
83.08614	23.3
85.02902	23.3
85.06529	3.4
91.03967	2.9
91.05476	43.1
93.07040	53.1
94.24173	1.6
95.04961	20.9
95.08601	40.6
96.08923	1.9
97.02875	5.3
97.06529	7.1
97.10135	7.3
98.23286	3.2
99.08076	1.6
105.04524	2.3
105.07024	25.3
107.04956	4.4
107.08583	24.3
108.08913	1.8
109.06496	3.4
109.10152	18.3
111.08069	9.0
113.05977	2.2
115.05445	2.6
117.07016	4.8
119.08581	25.9
121.06499	3.2
121.10139	25.0
123.08052	4.4
123.11701	6.2
125.09614	2.3
128.06177	1.8
129.06982	8.1
131.08556	15.8
133.10124	16.9
135.11697	10.8
137.09584	1.9
142.07761	3.3
143.08505	2.0
145.10133	7.1
147.08037	2.3
147.11674	15.1
149.09608	5.5
149.13275	7.0
157.10107	11.9
159.11674	5.2
161.13324	2.8
163.14870	1.9
165.12811	2.8
172.43370	1.9
173.13269	2.0
175.11179	9.8
193.12241	36.8
194.12573	2.1
197.13383	1.6
211.13283	47.2
212.13724	1.9
213.16260	1.9
261.22113	10.9
267.15909	14.2
268.16284	2.2
285.16953	53.6
286.17307	3.0
317.24756	2.6
335.25778	88.6
336.25998	10.9
435.32492	3.3
527.37195	12.4
528.37347	4.3
545.38342	100.0
546.38684	14.7
581.41547	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.9
55.01855	3.8
55.05508	15.8
57.03432	11.0
61.02927	1.7
65.03933	2.2
67.05157	3.4
67.05504	52.2
69.03444	3.6
69.05162	2.0
69.07060	13.6
71.04974	5.3
71.33292	1.7
79.05488	38.0
79.93050	1.6
81.03415	42.1
81.07054	48.3
82.07336	1.7
83.04979	10.7
83.08625	18.5
85.02919	17.2
85.06536	2.7
91.05481	28.7
93.07043	33.9
93.46292	1.8
95.04955	17.6
95.08598	35.0
97.02905	3.2
97.06526	4.6
97.10149	4.9
102.83074	1.7
105.07027	18.4
107.04930	4.0
107.08584	16.6
109.06499	3.5
109.10164	10.8
111.04398	1.7
111.08074	7.1
117.07023	4.6
119.08562	16.6
121.10133	18.5
123.08078	3.6
123.11695	3.8
125.09680	2.8
129.07010	6.0
131.08546	12.3
133.10095	10.6
135.08081	2.9
135.11703	7.8
145.10115	5.2
147.08005	2.1
147.11673	12.0
148.00713	2.1
149.09557	2.8
157.10149	7.7
159.11694	3.5
161.13242	2.0
162.02066	1.9
165.12755	2.7
175.11203	9.8
187.14774	3.4
193.12222	25.9
211.13281	45.1
227.12796	1.9
243.21228	3.1
261.22141	7.0
267.15790	8.7
285.16959	37.3
305.06317	3.0
335.25790	73.9
336.26044	8.9
404.88126	1.9
527.37476	8.9
529.03912	1.8
545.38330	100.0
546.38739	17.1
742.46191	3.4
743.43359	6.9
743.58575	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
69.48059	1.3
69.48464	0.4
98.23363	0.5
99.00471	0.3
102.89969	0.3
107.04960	0.6
113.18349	0.4
137.05965	0.6
151.03893	0.4
153.01862	2.7
167.07054	0.9
173.99315	0.9
175.00046	1.3
175.03838	0.7
176.04465	0.4
181.05022	0.3
185.04294	0.9
189.05229	12.4
190.05923	0.6
192.00313	0.5
197.73843	0.3
201.05254	0.6
202.05962	1.5
203.06781	2.1
204.07510	0.3
216.07510	1.7
217.08350	15.3
218.09093	4.2
219.06296	1.4
219.09869	0.8
231.09949	0.4
233.07849	4.0
234.08615	9.4
235.09337	0.6
243.06528	0.3
247.09392	2.8
255.06450	0.3
337.05280	1.4
428.17935	0.6
429.18866	3.2
430.19495	0.4
504.12234	0.4
517.13153	4.3
531.14630	4.2
532.15521	2.3
713.23804	0.6
721.46741	0.4
743.25031	100.0
744.25311	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	743.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90743	0.7
53.03930	1.6
55.05513	2.2
57.03447	2.1
59.70802	0.8
61.02921	6.5
67.05508	9.6
69.03429	4.9
69.07063	2.8
69.88002	3.7
71.08633	0.9
73.02932	4.9
73.46223	0.8
79.05498	8.5
81.03422	1.9
81.07054	10.3
83.08626	1.8
85.02913	6.2
87.04467	1.1
91.03941	4.3
91.05487	6.7
93.07039	7.3
95.04980	1.3
95.08613	6.1
97.02878	6.0
97.10213	1.1
99.04443	1.3
101.02386	1.8
105.07047	4.0
107.08604	4.6
109.06558	1.2
109.10171	1.8
110.65766	0.8
117.07037	1.7
119.08599	3.1
121.10164	3.4
123.11729	0.8
127.03892	0.9
129.07047	1.5
131.08623	1.9
133.10146	3.2
135.11723	2.8
145.10107	1.2
147.10594	0.7
147.11743	3.4
149.09575	0.8
161.13318	1.3
171.11682	1.9
179.14330	1.1
223.18465	0.9
243.08495	3.1
247.13016	1.3
277.21707	1.5
351.25357	0.9
465.20898	5.6
519.29272	7.2
545.38593	1.9
743.43317	100.0
744.43713	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	744.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.6
55.01865	9.3
55.05509	35.3
57.03434	25.5
57.07064	2.5
61.02910	4.2
65.03933	4.1
67.05502	100.0
67.24972	1.6
67.93740	1.7
69.03426	6.6
69.06707	2.8
69.07065	35.1
71.01344	4.1
71.04980	6.1
71.32664	2.3
73.02903	1.9
73.76293	1.6
79.05489	78.5
80.05835	3.3
81.03413	18.9
81.07051	74.1
82.07380	2.4
83.04977	19.6
83.08628	15.9
85.02905	6.2
85.06526	5.0
86.09702	13.5
91.05473	55.6
93.07040	97.8
94.07366	2.9
95.04961	13.0
95.08600	32.9
97.02898	3.3
97.06528	27.7
97.10159	20.1
98.06853	2.0
99.04469	2.8
99.08052	3.4
100.18856	1.8
103.05474	3.3
105.04503	1.8
105.07034	36.1
107.04987	7.8
107.08587	64.1
108.08956	1.8
109.02867	2.7
109.06508	6.9
109.10172	16.0
111.04448	2.8
111.08053	4.3
115.05441	3.6
117.07005	20.3
119.08572	29.7
120.08070	10.3
121.06499	8.3
121.10129	20.8
123.08065	3.6
123.11712	3.8
125.00005	3.3
125.09613	12.2
127.03900	3.0
127.87250	1.9
129.06985	3.4
130.07761	1.9
131.08559	15.7
133.10118	24.8
135.08067	7.9
135.11685	68.2
136.12012	3.5
137.05928	2.5
137.09637	6.2
139.11189	2.1
143.08522	5.2
145.06567	2.4
145.10115	25.9
147.11693	9.4
149.09618	16.5
149.13206	8.8
151.11162	3.8
153.12805	2.7
155.08566	3.0
157.10088	3.0
159.11707	14.6
161.09627	3.3
161.13269	3.3
163.07570	1.9
163.11203	17.0
169.10071	2.8
171.11685	3.2
171.82774	1.8
173.04477	2.6
173.13257	6.3
177.12759	3.0
179.14325	4.6
181.12206	16.1
183.11655	3.7
184.07289	8.8
185.13182	2.8
187.11322	2.7
189.11237	4.2
195.13783	6.7
213.16414	2.1
227.12721	15.4
229.19475	2.8
237.14772	1.9
239.17850	2.6
255.15906	97.5
256.16290	4.6
257.18985	12.5
269.17520	13.3
275.20093	38.9
276.20203	1.9
286.74249	2.0
293.21045	4.8
331.22745	2.9
347.34338	1.7
349.23730	24.2
351.21628	1.8
354.20923	1.9
409.25851	2.5
425.25146	7.5
435.27386	22.1
449.28958	80.4
450.29111	11.5
454.66687	1.8
465.28003	1.9
473.27347	2.5
529.35199	48.6
530.35577	4.0
532.46265	2.0
547.36420	8.7
643.73938	2.3
745.40723	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	744.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.9
55.01875	12.7
55.05259	2.7
55.05511	33.5
57.03439	21.1
57.07060	2.9
61.02924	4.6
62.46819	2.2
62.48784	1.9
65.03930	4.9
67.05505	100.0
67.05868	4.9
69.03419	6.6
69.07066	34.8
71.01358	3.9
71.04984	9.1
71.31953	3.4
73.02917	4.1
76.62745	1.7
79.05492	92.9
81.03411	15.8
81.07055	74.5
83.04974	20.8
83.08615	17.6
83.87533	2.1
85.02888	6.6
85.06535	7.1
86.09698	14.9
91.05481	58.9
93.07043	91.8
94.07375	3.0
95.04970	12.1
95.08615	38.0
97.02882	4.6
97.06532	24.4
97.10171	21.7
98.59005	2.2
99.08065	6.4
105.04496	4.1
105.07031	39.3
107.04975	10.7
107.08591	70.0
109.06526	7.3
109.10149	14.8
111.08088	8.0
113.06044	2.1
113.09675	2.4
117.07008	17.3
119.08575	30.3
120.08092	12.1
121.06524	7.5
121.10152	20.4
122.20968	1.9
123.08063	4.1
123.11720	4.1
125.09661	11.0
127.03924	4.7
129.05460	2.6
129.07008	3.6
130.07756	2.0
131.08574	18.3
133.10136	23.8
135.08029	7.2
135.11690	64.7
135.31516	2.1
137.09599	2.9
139.11208	2.3
141.06976	2.2
143.08594	3.7
145.10127	25.8
147.11705	7.3
149.09607	16.0
149.13245	10.3
151.11186	5.0
157.10123	5.6
159.11690	16.0
161.09663	3.1
161.13264	6.0
163.11168	18.4
165.12830	3.2
171.10205	2.2
171.11633	4.7
173.09711	3.1
173.13261	3.5
175.11214	2.1
177.05490	2.7
177.12727	4.5
179.14325	2.5
181.12202	17.8
183.11642	2.7
184.07309	14.0
185.13258	2.2
189.11209	3.0
189.12785	3.1
195.13756	2.7
227.12776	17.3
239.18011	5.8
255.15901	94.5
256.16235	4.3
257.19016	11.5
267.16006	3.4
269.17471	12.6
275.20087	43.1
293.21045	2.5
338.49139	2.3
349.23630	27.9
351.21597	2.5
409.25632	3.5
425.25211	4.5
435.27417	26.5
449.28976	92.2
450.29251	6.7
473.27698	4.1
489.32083	2.2
507.36945	2.4
529.35193	46.8
530.35217	6.0
547.36145	7.2
582.39124	2.2
585.66876	2.2
593.32739	2.4
744.27283	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	744.4901
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59863	1.2
53.03947	4.5
55.01874	2.7
55.05514	22.9
57.03443	11.6
57.07073	2.5
60.08161	4.6
61.02907	3.1
65.03928	2.0
67.05503	83.3
68.05823	2.0
69.03419	5.4
69.07068	21.2
69.49170	6.6
71.04987	8.8
71.07374	1.8
79.05491	48.0
79.05953	2.6
80.05849	2.7
81.03428	6.2
81.07055	100.0
82.03764	1.9
82.07389	5.0
83.04968	6.3
83.08628	15.3
84.08939	1.6
85.02898	5.0
85.06553	8.8
86.09702	21.2
91.05473	33.0
92.05791	1.9
93.07044	54.3
94.07382	3.7
95.04990	8.9
95.08607	44.5
95.49403	1.3
96.08938	2.7
97.02855	3.0
97.06525	10.9
97.10165	5.1
98.10518	1.4
98.98470	3.7
99.08086	4.1
103.05434	2.8
104.10780	2.7
105.07020	25.0
106.07363	2.5
107.04957	1.7
107.08591	27.7
109.06529	5.3
109.10139	17.2
111.04429	1.5
111.08080	5.9
113.09638	1.2
115.05465	4.6
117.06987	10.0
119.08587	12.5
120.08972	1.5
121.06424	1.5
121.10145	23.6
122.10548	1.5
123.08050	2.3
123.11714	12.5
125.00008	14.0
125.09625	3.6
126.09991	1.5
131.08566	13.6
133.06532	2.4
133.10133	19.1
135.08018	2.3
135.11708	16.4
135.89902	1.4
136.12047	1.6
137.05995	11.5
137.09647	1.6
138.06335	4.4
139.11195	1.5
145.06435	1.4
145.10097	7.0
147.11694	6.0
149.09663	1.3
149.13266	15.0
151.03902	4.7
151.07413	2.3
151.11206	5.5
152.04234	2.0
157.10210	2.4
159.11661	12.5
160.11920	1.5
161.05988	15.4
161.13242	5.2
162.06305	10.0
163.07564	3.5
163.14780	2.3
163.70694	1.5
169.12238	2.2
173.13303	3.9
177.12775	4.6
177.16434	1.6
184.07335	63.6
187.13316	7.8
187.14790	2.5
189.11230	2.3
193.12309	1.4
195.13766	6.4
201.16357	1.3
207.08028	2.9
211.13237	2.1
212.13657	2.3
225.08867	1.5
235.07233	1.2
235.20537	1.8
236.07832	1.6
240.11034	2.3
243.15913	24.0
243.21199	1.8
244.16257	1.3
249.18582	1.8
253.08400	1.7
261.22049	8.1
262.22589	1.7
267.10086	3.8
267.15848	1.7
268.10464	3.5
269.17453	27.0
279.23248	3.6
285.11191	24.4
285.16809	3.1
286.11542	23.3
286.16974	2.3
287.11758	12.5
287.18491	22.4
288.13132	1.7
288.18762	2.0
297.24191	2.0
335.25775	55.5
336.26233	7.7
337.26520	3.2
405.29831	1.7
489.35599	1.7
503.37323	79.1
504.37506	11.6
529.39056	9.3
546.38513	2.0
547.39764	39.8
548.40033	4.9
735.21301	1.5
744.47937	2.3
745.41211	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	744.4885
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87220	1.9
53.03937	3.3
55.01855	2.4
55.05509	22.0
57.03442	15.4
57.07070	3.8
61.02926	5.7
67.05502	49.7
68.34683	1.8
69.07069	20.9
71.04996	4.8
71.33423	3.0
73.02908	2.6
79.05492	25.9
81.03411	36.0
81.07055	59.5
82.28331	1.8
83.04977	10.3
83.08614	28.9
85.02908	18.9
85.06545	3.6
85.09364	1.7
91.05481	26.1
93.07050	20.9
94.85204	1.5
95.04961	13.9
95.08601	33.2
97.02885	6.6
97.06525	4.5
97.10172	9.9
99.08098	2.2
105.07023	18.3
107.04954	3.7
107.08588	14.5
109.06565	3.5
109.10155	17.8
111.04416	2.1
111.08079	8.2
113.07802	1.8
115.05504	2.0
119.08581	17.2
120.08865	1.9
121.10181	12.8
123.11721	6.6
125.09589	3.6
129.06999	5.5
131.08545	10.9
133.10130	11.5
135.11676	4.5
137.13248	3.8
142.07739	2.3
145.10118	2.6
147.11707	13.6
147.94466	2.1
149.09612	2.3
149.13222	2.5
157.10124	8.8
161.13280	3.7
163.14833	1.6
165.12613	1.9
175.11104	9.9
175.14806	2.0
184.07329	2.9
193.12257	25.1
201.94070	1.8
207.20230	1.7
211.13277	37.1
212.13599	2.3
245.22551	2.8
263.23718	2.9
267.15976	8.2
285.16956	45.2
286.17316	2.9
322.64301	1.9
337.27341	85.5
338.27722	9.2
365.42966	1.7
462.53653	2.0
529.38800	15.8
530.39014	2.6
537.56934	2.2
547.39886	100.0
548.40039	12.8
744.46893	4.2
745.41205	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	744.4888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.7
53.27537	2.4
55.01867	3.6
55.05513	29.5
57.03440	21.1
57.03678	3.6
57.07079	4.4
63.36094	2.6
67.05503	70.8
69.03437	6.7
69.07066	29.5
69.62349	2.8
71.04991	6.4
71.08624	3.2
71.33275	3.3
78.09337	2.6
79.05495	30.2
81.03412	50.8
81.07051	72.6
81.07502	5.4
83.04978	13.5
83.08604	33.0
85.02899	25.9
85.06561	3.1
91.05471	39.6
93.07031	37.4
95.04961	23.8
95.08598	53.3
95.09138	4.7
97.02898	4.7
97.06532	6.3
97.10161	12.8
99.08146	3.0
101.72316	2.9
105.07041	21.7
107.04944	7.8
107.08593	18.3
109.06525	4.3
109.10159	18.3
111.04391	2.7
111.08089	10.5
117.07023	4.4
119.08573	27.2
121.10157	18.7
123.08061	4.5
123.11736	7.5
125.09615	4.6
129.07018	11.1
130.49367	3.1
131.08565	11.9
133.06491	4.0
133.10133	16.1
135.11710	8.3
137.09634	6.2
142.07785	2.8
145.10124	5.3
147.08128	3.5
147.11658	18.0
149.09662	3.7
150.69383	2.9
157.10173	13.8
163.11223	3.8
163.14853	3.1
165.12729	3.2
175.11168	16.2
193.12262	38.4
211.13272	73.8
211.15092	5.1
212.13628	3.3
218.17737	2.7
263.23807	4.4
267.15820	13.8
285.16953	83.7
286.17328	6.3
337.27341	77.5
338.27759	6.6
404.30954	2.9
429.79614	3.2
529.38953	13.6
530.38739	3.3
547.39899	100.0
547.48242	5.8
548.39966	15.0
633.25696	3.5
665.83942	2.9
701.67950	2.8
744.45789	9.9
745.42841	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	744.4889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.3
55.01891	2.9
55.05511	26.3
56.05822	1.6
57.03432	11.7
57.07071	9.3
61.02911	1.6
62.81792	1.6
67.05508	35.7
69.07066	33.2
69.27587	5.6
69.28009	7.1
71.04999	4.2
71.08630	5.4
73.02895	2.1
79.05491	32.1
81.03423	3.7
81.07054	44.0
82.07384	2.1
83.04987	4.3
83.08619	29.6
85.02905	3.0
85.06573	2.2
85.10168	2.9
91.05487	12.6
93.07042	41.1
93.07609	2.8
94.07404	2.5
95.04961	8.4
95.08606	61.1
96.08937	1.4
97.02927	4.4
97.06530	6.7
97.10154	12.5
98.23304	2.9
99.04456	5.5
99.08130	2.0
104.25288	1.6
105.07010	11.6
107.04953	11.2
107.08589	29.2
109.06542	1.8
109.10160	14.2
109.25089	1.3
111.08105	4.4
111.11676	2.0
113.09695	1.7
117.07001	9.0
119.08578	14.8
121.06506	5.0
121.10126	22.4
123.11689	4.7
125.05991	3.3
125.09584	3.3
131.08598	2.9
133.10132	5.1
135.08037	2.5
135.11688	54.4
136.12076	2.6
137.13191	2.2
139.07553	2.4
139.11182	2.7
143.08627	2.3
145.10115	30.0
146.10547	1.7
147.11693	2.3
149.13240	3.2
163.11180	65.7
163.14894	2.2
164.11478	2.8
181.12227	10.4
184.07399	2.3
190.32892	1.7
209.11742	1.7
223.17589	1.5
227.12761	68.9
228.13225	3.7
283.15384	97.3
284.15857	4.4
285.17087	2.5
286.46597	1.5
316.98065	1.8
324.10992	1.6
337.27246	3.1
339.28918	98.4
340.29388	8.3
547.39874	100.0
548.40271	11.6
683.45435	1.8
744.43384	2.7
745.42279	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	744.4893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.8
55.01866	5.1
55.05512	23.7
57.03182	1.1
57.03442	12.1
57.07077	8.4
59.04993	1.0
60.18510	0.8
61.02913	3.3
61.96237	0.8
65.03943	1.5
67.05502	20.3
68.48395	0.8
69.03408	1.4
69.07069	23.6
69.17672	2.2
69.18085	5.7
71.04983	3.8
71.08639	3.4
73.02914	1.3
79.05487	18.8
81.03421	6.9
81.07058	28.0
82.07395	1.0
83.01339	5.2
83.04989	9.6
83.08619	22.7
85.02911	4.6
85.06554	1.2
85.10168	1.2
87.42514	0.9
91.03970	1.6
91.05478	10.2
93.07048	22.6
95.04974	4.9
95.08601	24.4
97.02881	2.9
97.06535	4.0
97.10165	12.3
98.23335	1.7
99.04459	2.2
105.07046	6.5
107.04951	4.7
107.08592	12.2
108.08927	1.0
109.06517	4.1
109.10149	9.6
111.04433	3.4
111.08091	2.6
111.11731	2.7
117.07027	6.0
119.08562	7.2
120.48195	0.8
121.06503	2.0
121.10143	11.7
123.08063	6.2
123.11692	2.1
125.09624	2.2
127.03860	1.0
129.07016	1.7
131.08559	1.7
133.10158	2.1
135.08081	2.0
135.11690	14.8
137.09595	1.0
137.13264	1.8
140.40486	0.8
145.06560	1.1
145.10120	11.3
147.08005	1.4
147.11702	1.3
149.13261	2.0
153.12759	2.2
155.08592	1.0
163.11185	16.4
169.93979	0.9
173.09650	2.5
181.12241	2.5
184.07356	1.1
191.10646	2.3
209.11703	6.5
227.12762	4.9
265.25214	1.4
279.23416	1.2
283.15393	100.0
284.15659	5.4
326.18964	0.9
339.28931	75.5
340.29352	6.7
387.79492	1.2
547.39905	48.2
548.40411	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	745.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
55.05511	1.3
57.03447	0.6
67.05511	1.4
69.03434	1.1
69.07065	0.9
69.60463	0.7
69.60869	1.7
71.04987	0.6
71.53721	0.3
73.02912	0.4
79.05498	1.3
81.03424	1.7
81.07058	1.7
83.04991	0.8
83.08630	0.5
85.02908	0.8
85.06539	0.4
91.03934	0.4
91.05505	1.3
93.07055	1.5
95.04964	1.1
95.08620	1.2
97.02885	0.7
97.06535	0.7
104.51015	0.4
105.07041	1.5
107.08589	1.7
109.02864	0.6
109.06498	0.5
109.10183	1.1
111.04417	0.4
111.08114	0.7
115.05508	0.4
119.08618	1.3
121.10162	1.3
121.54601	0.3
122.09582	0.4
122.51511	0.3
123.04393	0.5
123.08086	0.6
125.06052	0.5
127.03918	0.6
127.49543	0.4
131.04918	0.5
131.08559	0.6
133.10162	0.9
135.08043	0.5
135.22675	0.4
137.06004	1.1
137.09618	0.5
147.11763	0.6
149.09569	0.5
149.13361	0.5
151.03951	0.9
151.07555	0.6
151.11230	0.6
161.05969	0.7
163.11217	0.5
165.12712	0.4
167.07103	0.8
175.07512	0.5
175.11151	0.5
181.05023	0.5
201.05682	0.4
203.07092	0.4
231.87231	0.4
252.18892	0.4
253.14436	0.4
267.09100	1.2
285.10162	1.8
299.09290	0.3
485.17041	1.8
517.20447	0.6
727.35004	1.4
745.34113	100.0
746.34479	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.3616
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.6
53.36100	0.5
55.01874	1.1
55.05509	1.9
57.03432	2.9
59.04992	0.7
60.44015	0.5
61.02930	5.2
67.05514	2.5
67.60954	0.6
69.03440	2.9
69.07079	1.5
69.16897	4.2
71.04993	1.2
73.02912	3.6
76.72098	0.6
79.05504	3.2
81.03410	4.4
81.07070	2.2
83.01055	0.7
83.04977	0.8
83.08618	0.7
85.02903	5.8
87.04486	0.8
91.03945	2.7
91.05475	2.9
93.07043	2.5
95.04988	1.4
95.08599	1.2
97.02892	3.4
97.10159	0.9
99.04462	0.6
101.02388	2.4
103.03959	0.8
105.07067	1.8
107.08617	1.8
109.02879	2.2
109.06495	0.6
109.10164	0.9
109.30148	0.6
117.05525	0.9
117.06993	0.5
119.08616	1.5
121.10169	2.7
122.98035	0.5
124.06355	0.5
127.03929	2.4
129.05496	2.8
129.07004	0.7
131.08600	1.6
133.10175	1.0
135.11693	1.0
137.06081	0.8
137.09599	0.8
147.11668	0.8
149.09634	1.8
151.03949	1.1
153.01869	0.6
167.07117	0.6
175.11282	0.8
181.04752	1.5
185.04213	4.4
193.12230	1.5
199.05762	0.7
199.13332	0.9
201.03778	1.6
201.14885	0.7
203.05347	0.6
207.13585	1.0
221.11633	0.6
223.13051	0.8
225.14931	0.6
227.05305	0.7
241.06976	0.7
243.08376	5.1
251.12714	0.6
263.75101	0.5
265.14124	0.6
267.15973	1.3
271.38284	0.5
283.15201	12.3
301.08932	17.8
302.09421	1.1
309.16721	3.7
315.10498	5.6
323.18210	4.4
327.10519	0.9
329.12170	1.0
339.17999	1.3
341.12280	1.3
343.13629	0.9
355.13812	0.7
357.15085	0.6
367.17276	0.9
369.15283	0.7
373.11029	7.1
381.18872	7.7
381.23285	0.9
383.16867	1.9
385.18350	11.0
386.18832	0.7
387.12643	1.4
395.20691	1.3
399.20029	3.2
415.15948	1.1
423.19672	0.7
427.19458	10.2
428.20023	0.9
429.17444	3.1
437.25201	0.8
439.19543	1.4
441.21054	1.9
443.18970	2.2
457.21051	1.0
465.28116	4.1
467.19534	0.7
469.20398	3.9
483.22134	1.7
483.28940	0.7
485.19574	0.8
499.21606	4.8
501.23288	23.0
502.23621	2.1
511.28830	2.4
516.22363	1.0
517.22870	2.0
529.22583	17.8
530.22943	1.1
545.22461	1.5
567.31964	0.7
573.25122	13.3
574.25726	1.8
583.31219	0.9
585.31183	0.8
587.27203	2.8
601.27979	3.9
613.31793	3.8
615.30109	2.4
629.31586	1.8
641.31506	1.1
643.32953	8.2
644.33929	0.8
657.34753	1.5
665.00885	0.6
683.36151	1.6
685.34045	2.3
699.35327	1.8
727.34998	2.9
728.36456	1.3
745.36066	100.0
746.36389	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	745.3616
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12169	0.3
53.03843	0.6
53.04070	0.4
55.01775	0.5
55.02007	0.3
55.05405	0.6
56.60696	0.2
57.03297	1.1
57.03615	0.7
59.04898	0.5
59.05165	0.4
61.02792	3.0
61.03144	1.5
67.05357	4.7
67.05762	1.7
69.03278	1.7
69.03690	0.7
69.06954	0.4
69.48340	1.5
69.48746	0.6
71.04864	0.7
73.02762	2.4
73.03223	0.7
73.47070	0.2
79.05338	1.5
79.05840	0.5
81.03252	2.5
81.03773	0.7
81.06892	2.5
81.07411	0.5
83.04858	0.6
83.08456	1.0
85.02739	4.2
85.03307	1.0
85.06398	0.4
87.04341	0.4
91.03779	2.8
91.04417	0.5
91.05309	2.2
91.05923	0.6
93.06860	1.3
95.04793	1.2
95.08434	1.0
95.08958	0.3
97.02710	3.9
97.03400	0.7
97.06394	0.4
98.22663	0.5
99.04335	0.6
101.02186	1.4
103.03837	0.6
104.64490	0.2
105.06828	1.4
107.04807	0.6
107.08405	1.0
107.09046	0.3
109.02734	0.5
109.09962	6.1
109.10785	0.8
111.07954	0.6
115.03733	0.3
119.08401	1.5
121.09937	0.9
123.11546	0.4
127.03695	1.6
129.06839	0.4
131.08337	0.8
133.06372	0.4
133.09921	1.2
135.11484	0.4
137.05801	0.5
137.09381	0.5
145.04735	0.4
147.11552	0.6
151.03757	0.5
151.07452	0.4
155.10500	0.7
157.09952	0.6
161.05812	0.3
167.06862	0.3
173.11748	2.0
175.10959	0.3
183.06412	0.4
185.03976	0.6
191.06960	0.3
193.12048	0.9
195.09758	0.8
203.05154	0.4
211.13203	0.6
229.14362	1.4
233.11191	0.3
243.08406	2.4
251.12546	1.6
285.16721	0.4
307.15195	0.6
385.18134	0.3
413.17816	12.3
413.23328	0.7
414.17917	1.0
427.18219	0.3
463.26346	0.3
469.14398	0.5
469.20447	8.2
470.20804	0.8
479.26355	0.3
499.21594	0.4
501.23032	0.9
517.22626	0.6
575.46906	0.3
641.31384	100.0
642.31763	12.9
642.42609	0.6
699.35577	1.1
727.35107	1.6
745.35889	14.1
746.36646	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	745.3978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.0
55.01880	0.4
55.05524	0.8
57.03447	1.8
58.49851	0.4
59.05007	0.7
61.02927	4.2
67.05513	3.4
69.03425	2.9
69.07063	0.9
69.85881	0.7
71.01363	0.5
71.04995	3.3
73.02920	3.4
73.03246	0.4
73.15190	0.4
79.05499	3.0
81.03428	3.2
81.07056	4.8
81.07491	0.3
83.04993	0.5
83.08630	1.1
84.13520	0.4
85.02906	4.3
85.06573	0.7
87.04485	0.9
91.03947	2.3
91.05486	4.2
93.07056	2.8
93.43056	0.3
95.04989	1.0
95.08628	1.0
97.02886	3.4
97.06560	1.0
99.04482	1.0
101.02399	1.4
103.03991	0.5
105.07037	2.3
107.08588	1.9
109.02874	0.9
109.06577	0.5
109.10170	0.9
111.08099	1.0
117.07016	0.5
119.05014	0.4
119.08598	0.9
121.10172	1.5
123.08170	0.4
123.11723	0.7
127.03961	1.6
129.07054	0.6
131.08607	1.4
133.10136	2.8
135.11757	0.5
147.11732	1.1
149.09686	1.4
149.13266	0.8
151.03928	0.7
151.11212	0.9
157.10170	0.9
159.11758	0.8
175.11226	0.7
193.12354	0.8
197.15370	0.5
203.05334	0.8
232.24806	0.3
243.08412	2.4
257.17572	0.6
267.15805	2.0
283.15186	3.5
301.20496	0.4
339.17801	0.4
441.20834	0.5
469.20575	0.6
485.23523	8.8
486.24185	0.6
501.23090	8.6
502.23773	0.7
583.35052	0.5
614.32483	0.4
641.29980	2.5
642.30908	0.5
745.39807	100.0
746.40149	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	745.4123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
55.01862	0.7
55.05506	1.7
57.03439	2.2
61.02926	5.9
65.03947	0.3
67.05162	0.4
67.05499	5.6
69.03428	3.9
69.07065	1.4
70.50471	0.7
71.01344	0.5
71.04983	0.7
73.02920	4.6
75.14281	0.2
79.05492	4.2
81.03415	1.9
81.07048	5.3
83.01367	0.3
83.04979	0.8
83.08608	0.8
85.02898	5.7
85.06535	0.3
87.04485	0.3
91.03947	3.6
91.05474	2.2
93.07036	4.7
93.07608	0.3
95.04978	1.0
95.08598	3.8
97.02885	5.1
97.06561	0.4
97.10129	0.3
99.04454	0.9
101.02387	2.3
103.03950	0.4
105.07017	1.5
107.05000	0.5
107.08587	2.5
109.02875	1.0
109.06535	0.4
109.10150	1.7
111.08111	0.3
115.03935	0.5
117.07032	0.7
119.08557	1.4
121.10165	2.1
123.08061	0.4
127.03912	1.5
127.04755	0.2
129.05499	0.2
131.08592	0.8
133.10168	0.5
135.10803	0.2
135.11642	1.5
137.13313	0.3
141.37669	0.2
145.04971	0.3
145.10107	1.2
147.11684	0.4
149.13277	0.4
149.43933	0.2
156.33415	0.3
159.11696	0.4
163.11212	1.0
181.90643	0.2
184.07320	0.3
185.04243	0.7
241.06833	0.3
243.08339	1.8
249.10915	0.8
279.17789	0.2
302.09323	0.2
333.06857	0.2
335.25839	0.7
467.18921	4.3
468.19296	0.4
490.36322	0.3
497.31055	0.4
519.29272	10.4
520.29779	0.7
745.41217	100.0
746.41583	16.1
746.55444	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
55.01865	0.5
55.05511	1.6
57.03436	2.0
57.07061	0.3
59.05002	0.2
61.02926	5.5
65.03934	0.3
67.05503	6.4
68.05830	0.2
69.03428	3.1
69.07059	1.5
71.01346	0.5
71.04996	0.5
73.02917	3.7
73.03300	0.4
77.03886	0.2
79.05490	5.0
81.03412	1.9
81.07054	6.5
82.07397	0.3
82.32237	0.2
83.04985	0.5
83.08627	1.0
85.02903	5.1
85.06577	0.3
86.09706	1.3
87.04468	0.2
89.44983	0.2
91.03952	2.3
91.05469	2.2
92.15347	0.2
93.07041	5.7
93.07606	0.4
94.07391	0.3
95.04976	0.7
95.08604	4.9
96.08975	0.2
97.02893	4.6
97.06539	0.7
97.10146	0.4
99.04452	0.9
99.74346	0.2
101.02368	1.5
105.07024	1.7
107.04997	0.4
107.08594	2.6
108.08937	0.2
109.02896	0.8
109.06533	0.3
109.10140	1.4
115.03970	0.2
117.07027	0.8
119.08563	1.0
121.06522	0.2
121.10148	2.0
123.08074	0.2
123.11723	0.4
124.99985	0.9
125.09696	0.2
127.03912	1.1
130.07835	0.2
131.08545	0.8
133.10114	0.9
134.10518	0.3
135.11690	2.5
136.11989	0.2
137.09660	0.2
145.05072	0.3
145.10104	1.2
147.11707	0.5
149.13293	0.5
159.11676	0.4
161.13213	0.2
163.11168	1.6
173.85213	0.2
181.12254	0.3
183.62335	0.2
184.07341	3.7
184.08885	0.3
185.04213	0.5
185.07669	0.3
203.05269	0.4
219.09943	0.3
227.12834	0.8
243.08446	2.0
243.16101	0.2
249.10966	10.0
250.11388	0.5
261.22198	0.2
279.23245	0.3
287.18509	0.4
297.24240	0.2
305.13684	1.0
335.25827	1.3
336.26303	0.5
467.18857	4.3
468.19366	0.5
489.78082	0.2
503.37335	0.3
504.37726	0.9
519.29242	9.1
520.29547	0.9
547.39679	0.3
548.40131	0.8
552.95306	0.2
602.40173	0.2
691.42004	0.2
745.41223	100.0
746.41559	17.8
749.50366	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.5
55.01862	1.1
55.05511	3.3
56.05829	0.4
57.03437	3.4
57.07059	0.6
59.04997	0.4
61.02924	6.1
65.03964	0.3
67.05502	10.5
68.05836	0.9
69.03429	4.7
69.07069	2.8
69.29045	1.5
69.29457	0.6
70.07413	0.3
71.01356	0.6
71.04993	1.3
73.02910	3.6
79.05492	6.6
80.05845	0.6
81.03416	5.5
81.07055	10.2
82.03754	0.4
82.07394	0.9
83.01312	0.4
83.04972	1.7
83.08604	2.7
85.02902	7.5
85.06516	0.3
86.03236	0.4
86.09689	0.4
87.04466	0.3
91.03956	3.1
91.05476	4.6
92.05835	0.7
93.07034	6.1
94.07354	0.4
95.04971	1.5
95.08604	6.7
96.08910	0.6
97.02895	5.4
97.06556	0.7
97.10170	1.0
99.04469	1.2
101.02398	2.0
105.07021	3.4
106.07405	0.4
107.04969	0.8
107.08595	4.1
109.02888	1.0
109.06537	0.8
109.10140	2.7
109.57442	0.3
110.10523	0.5
111.04466	0.4
111.08089	0.7
113.06116	0.4
115.03947	0.6
117.07040	1.2
119.08580	2.0
120.08936	0.3
121.06488	0.4
121.10126	3.1
121.51099	0.3
122.10448	0.4
123.08106	0.7
123.11723	1.0
125.09641	0.5
125.63300	0.3
127.03941	1.3
129.07025	0.6
131.08556	1.6
132.08908	0.5
133.10135	1.8
135.11650	1.7
145.04987	0.5
145.10066	1.4
147.08099	0.4
147.11679	1.5
148.12029	0.4
149.09644	0.6
149.13333	0.6
149.67728	0.3
151.11295	0.4
157.10158	0.6
158.10477	0.4
159.11708	0.4
162.13602	0.3
163.11203	1.3
163.14813	0.4
175.11176	0.7
184.07387	0.9
185.04248	0.6
193.12259	2.0
194.12611	1.1
207.97841	0.3
211.13239	3.1
211.14798	0.3
212.13667	1.2
243.08354	1.8
243.94917	0.3
249.11037	0.5
258.25360	0.3
261.22195	0.4
263.23730	0.4
267.15976	1.0
268.16266	0.3
285.16946	2.6
286.17276	1.8
299.11407	0.3
335.25827	1.0
337.27310	3.7
338.27682	4.2
338.31494	0.4
356.59695	0.3
467.18939	5.7
468.19232	0.5
475.24811	0.3
490.36356	0.5
497.31070	0.7
519.29272	8.3
520.29712	0.9
530.39441	0.8
547.40033	2.0
548.40222	7.6
745.41235	100.0
746.41571	16.8
746.55426	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46678	1.2
53.89795	1.1
55.05508	3.2
57.03435	2.9
57.07085	1.2
61.02928	11.4
63.12100	1.1
67.05508	12.1
69.03426	3.9
69.07069	3.8
71.04996	1.6
73.02921	7.8
74.54747	1.1
77.77290	1.0
79.05498	5.6
81.03409	3.1
81.07057	13.0
83.08582	1.9
85.02915	8.4
86.63973	1.1
91.03940	5.9
91.05498	4.2
93.07070	1.8
95.08624	6.1
97.02908	8.6
99.08086	1.6
101.02396	3.5
105.07056	1.3
107.08618	1.6
109.10164	3.3
119.08598	2.1
121.10137	1.4
123.11755	1.5
127.03953	1.8
133.10161	2.0
135.11743	1.9
147.11777	1.6
196.08763	1.2
228.88106	1.2
243.08473	2.3
493.27820	19.7
657.75885	1.6
745.48553	100.0
746.48810	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	746.5043
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.7
55.01871	2.7
55.05514	32.6
55.46592	1.0
57.03438	20.4
57.07074	9.4
61.02917	3.9
65.03951	1.2
67.05506	37.6
69.03432	4.3
69.07071	37.8
71.04983	5.5
71.08626	3.7
73.02942	1.4
79.05496	27.4
81.03421	56.4
81.07059	43.8
82.03764	1.2
82.07384	1.6
83.04558	1.5
83.04987	15.9
83.08623	41.9
85.02908	24.1
85.06544	2.3
85.10197	1.9
87.04502	1.1
89.06024	1.2
91.03929	1.5
91.05480	28.0
93.07044	23.2
95.04970	18.4
95.08609	32.4
97.02885	5.1
97.06516	4.1
97.10171	13.4
99.08072	2.0
103.49519	0.9
105.07027	18.2
106.07384	1.1
107.04947	5.8
107.08585	12.0
109.06533	3.9
109.10165	12.3
111.04444	1.8
111.08083	9.6
111.11714	2.8
113.05983	1.9
115.05439	1.7
117.07044	1.5
119.08582	17.5
121.06493	1.3
121.10131	15.2
123.08056	1.6
123.11735	5.0
125.09622	2.2
127.03937	1.1
129.06964	8.2
131.08568	11.9
133.06483	3.1
133.08597	0.9
133.10132	9.0
135.11693	7.3
137.05989	0.9
137.09641	2.6
137.13226	1.2
139.11115	1.1
142.07780	2.7
145.10152	1.8
147.04398	1.3
147.08046	2.3
147.11697	12.3
149.09630	5.5
149.13216	2.0
157.10109	10.8
161.13216	1.4
163.14821	1.3
165.12811	2.0
175.11189	11.6
184.07330	3.3
193.12244	37.5
194.12709	1.6
211.13297	65.8
212.13649	3.9
247.24100	1.5
249.14804	1.5
258.19852	0.9
265.25116	2.5
267.15894	21.7
268.16312	1.4
285.16968	78.0
286.17300	4.4
289.60440	1.0
339.28943	79.9
340.29254	5.8
358.90054	1.0
454.21829	1.1
457.37756	1.1
491.36923	2.5
518.34314	1.2
531.40448	17.1
532.40607	2.0
549.41498	100.0
550.41620	12.0
615.28949	1.0
658.95575	1.0
727.86835	1.2
746.43213	5.8
747.40723	47.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.5044
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.8
55.05511	20.4
57.03441	7.1
57.07085	9.7
61.02919	2.4
61.94987	1.8
67.05510	31.3
69.03445	6.9
69.07076	28.7
71.05008	4.9
71.08632	4.3
75.36608	1.8
77.86697	2.0
79.05495	19.9
81.03423	43.6
81.07067	33.7
82.07349	1.8
83.04978	9.1
83.08619	29.6
85.02908	19.2
85.10181	2.2
91.05475	23.4
93.07050	20.6
95.04987	16.0
95.08617	24.6
97.02892	6.5
97.06555	4.4
97.10164	11.0
98.23322	7.1
105.07035	15.2
107.04969	4.9
107.08582	11.8
109.06520	4.6
109.10141	13.2
111.04410	2.0
111.08060	10.5
112.17055	2.1
115.05534	2.2
117.07004	2.7
119.08608	13.0
121.10175	11.9
123.08096	2.3
123.11692	2.5
129.07021	5.9
131.08600	8.3
133.10165	6.0
135.11697	6.1
137.05994	8.4
137.09599	2.6
145.10190	3.1
147.08009	2.9
147.11717	8.1
149.09627	3.0
157.10138	9.4
163.07503	3.9
165.12775	2.7
175.11162	12.3
193.12262	27.5
211.13301	43.3
212.71695	2.1
229.04599	2.7
233.15364	2.8
267.15842	12.0
283.15564	2.7
285.16965	40.0
286.17404	2.6
319.74048	2.3
338.10175	2.3
339.28940	41.5
340.29105	3.3
383.28073	2.4
531.40405	10.1
549.41504	100.0
550.41827	16.4
567.40320	4.8
587.45978	2.2
636.19073	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.1545
Annotation	Catechin-(4alpha->8)-epigallocatechin-3-O-gallate
Peak:m/z	Relative Intensity
53.00311	0.4
53.03959	0.6
55.01863	1.6
62.58650	0.4
65.03935	1.2
67.05486	0.6
68.54236	0.4
68.99786	5.1
69.03412	0.6
69.42052	2.6
77.03916	0.4
79.01840	3.8
79.05480	0.4
81.03413	1.0
91.05485	0.5
93.03397	0.8
95.04975	0.7
96.36728	0.4
97.02892	1.4
107.01304	1.1
107.04959	1.4
109.02859	1.8
111.00792	3.0
111.04430	2.6
115.05456	0.5
117.07012	0.7
117.79648	0.4
121.02854	1.3
123.04422	19.2
124.04774	0.6
125.02328	2.2
127.03904	28.7
129.06909	0.4
131.04897	1.3
133.02824	0.5
135.04402	14.8
137.02333	1.3
137.05974	0.4
139.03889	51.5
140.04248	1.6
141.01826	0.5
141.06944	0.8
143.03392	4.8
145.02867	0.5
145.06496	0.7
147.04404	1.5
149.02339	2.2
149.05960	1.5
151.03896	18.8
152.04234	0.5
153.01814	100.0
153.02835	3.8
154.02142	2.7
155.03467	0.9
155.04956	1.2
157.06493	1.3
159.04399	2.5
161.02296	0.4
161.05968	1.3
163.03886	21.2
164.04259	0.5
165.05457	0.6
167.03470	2.1
169.05092	0.7
169.06500	1.3
171.04329	0.4
173.05984	3.4
175.03883	3.4
177.05452	3.5
179.03395	6.8
181.04938	1.6
181.06439	0.7
183.04395	1.3
183.06506	0.6
185.05956	1.7
187.03870	4.8
187.07642	0.4
189.05537	1.3
191.03424	4.6
193.04930	2.7
195.06516	0.6
197.05969	2.4
198.06512	0.5
199.03835	0.8
201.05447	5.7
203.03372	5.4
203.07005	1.0
205.04926	2.1
209.05965	0.6
211.03914	0.8
213.05424	2.4
215.03470	0.9
215.07069	1.0
217.04926	2.6
219.06482	0.7
223.06010	0.5
225.05464	1.5
227.06897	0.7
229.04922	7.4
231.06540	1.1
233.04382	2.0
237.05417	1.1
241.04912	2.5
243.06516	1.8
245.04416	5.4
247.05997	26.7
247.36502	0.4
248.06233	1.2
251.05606	0.6
253.05002	1.5
255.06474	1.4
257.04428	5.0
259.05997	14.1
260.06281	0.7
261.07675	0.6
263.05484	1.0
265.04974	0.8
269.04330	1.8
271.05978	41.0
272.06293	2.2
275.05487	5.3
279.06650	0.5
283.05991	10.6
284.06448	1.0
287.05478	14.3
288.05661	0.7
289.07053	7.7
290.07474	0.5
299.05499	4.3
301.07053	6.5
305.06491	1.2
307.08160	1.4
313.07056	0.5
315.04910	0.9
317.06613	0.6
323.05429	0.7
331.04449	2.8
361.07242	0.5
367.08133	0.5
369.14334	0.5
374.68344	0.4
407.07675	2.6
409.09088	11.8
410.09207	1.0
421.08966	0.5
425.08710	3.7
427.10211	7.7
428.10480	1.0
433.08984	0.5
437.08566	0.7
443.09451	0.7
451.10086	1.1
480.22559	0.5
579.11218	0.6
595.10773	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	0.4
53.03948	0.5
55.01861	1.9
63.27423	0.4
65.03629	0.3
65.03926	1.7
67.01841	0.5
67.05497	1.0
68.99783	8.0
69.54441	2.1
74.50294	0.3
77.03942	0.9
79.01855	1.0
79.05476	0.5
80.40566	0.4
81.03413	3.9
83.04980	0.6
85.02912	0.4
85.25540	0.3
91.05458	0.8
93.03406	0.9
95.04946	2.1
97.02850	0.4
99.04465	1.4
105.03372	1.7
105.07025	0.4
107.04945	1.2
109.02875	5.2
111.00797	7.4
111.04433	2.0
115.05441	0.5
117.07013	0.4
119.04945	1.3
121.02850	2.3
123.04424	77.9
124.04792	2.1
125.02321	0.7
127.03910	100.0
128.04256	2.2
128.06175	0.5
129.06955	0.8
131.04927	1.0
133.02840	2.1
133.06494	0.4
135.04427	3.9
137.02333	1.0
137.05992	0.8
139.03894	63.7
140.04274	2.0
143.03400	1.2
143.04889	0.5
145.06462	0.7
147.04404	13.9
148.04797	0.5
149.02328	3.2
149.05969	0.4
151.03899	35.1
152.04251	0.7
153.01825	17.2
153.02921	0.9
153.05399	0.4
154.02110	0.5
155.03377	2.9
155.04588	0.6
157.06487	1.3
159.04420	1.2
161.06004	1.7
163.03896	7.4
163.05270	0.4
165.01822	0.5
165.05507	4.1
165.06831	0.6
167.03392	6.3
167.04778	0.6
169.05078	0.5
169.06493	0.5
171.04390	1.7
173.02432	0.4
173.05974	1.2
175.03897	16.0
176.04245	0.5
177.05440	4.7
179.03383	33.6
180.03760	1.4
181.04953	1.2
181.06422	0.4
183.04463	1.0
185.05989	1.9
187.03830	1.8
189.03951	0.7
189.05478	5.5
191.03386	11.2
193.04964	4.4
197.05969	1.0
199.03896	2.6
201.05453	6.2
203.03383	23.1
204.03822	0.7
205.05002	1.8
211.03902	0.8
213.05432	5.7
214.06012	0.6
215.03401	1.5
215.07011	0.6
217.04922	4.6
219.06483	1.0
221.04475	0.7
225.05444	0.9
227.03419	0.9
229.04967	4.9
231.06499	2.9
233.04436	5.9
241.04897	3.3
242.05548	0.5
243.06512	0.7
245.01939	0.7
245.04434	10.8
246.04892	0.7
247.05965	3.4
251.05460	1.7
253.05046	0.9
255.06636	0.7
257.04440	13.1
258.04984	1.0
259.05978	4.2
263.05502	10.0
265.04922	0.6
269.04413	7.4
270.05023	0.6
271.05969	4.6
273.07513	5.0
275.05481	19.2
276.05905	1.0
277.07129	1.5
281.04572	0.7
283.06076	1.2
285.07523	0.9
287.05493	52.9
288.05838	3.2
289.07025	1.2
291.08646	3.1
295.06363	0.5
299.05496	14.7
300.05844	1.1
301.07117	1.2
303.08627	0.4
305.06519	9.9
306.07043	0.8
311.05487	1.1
313.06851	0.8
315.08426	0.9
317.06509	12.8
318.07092	0.6
325.07065	0.5
329.06375	0.5
379.07971	0.6
391.08075	2.5
407.07462	0.6
409.09140	8.1
421.09161	1.1
425.08643	15.3
426.08835	1.3
427.10162	0.8
433.08963	0.8
437.08783	0.4
443.09811	4.3
444.10138	0.6
451.10123	1.2
455.09900	0.6
559.12347	0.8
579.11200	0.9
639.75049	0.4
757.99463	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.1549
Annotation	Catechin-(4alpha->8)-epigallocatechin-3-O-gallate
Peak:m/z	Relative Intensity
52.36389	0.6
52.74901	0.6
55.01872	1.6
65.03943	1.1
67.05511	0.8
68.28912	0.7
68.99783	6.7
79.01865	1.0
79.05448	0.9
81.03402	3.0
89.03917	1.5
93.03379	1.5
95.04969	1.5
97.02914	0.8
99.04432	1.0
103.05447	0.8
105.03371	1.1
107.04942	2.7
109.02852	4.0
111.00816	4.2
111.04454	4.4
121.02856	2.4
121.83646	0.7
123.04424	31.1
124.04718	1.2
127.03909	82.1
128.04228	1.2
131.04922	2.7
133.02847	1.0
135.04411	31.8
136.04761	1.1
137.02348	2.6
139.03893	100.0
140.04245	2.5
141.07014	1.0
143.04901	0.7
145.06441	0.7
147.04399	3.8
149.02290	3.4
149.05968	1.8
151.03894	19.5
153.01813	11.8
153.02892	0.4
155.03355	1.7
157.06490	1.2
159.04420	2.8
161.02341	1.3
161.05917	2.9
163.03894	37.6
164.04337	1.3
165.05414	1.0
167.03409	4.7
169.06453	1.7
172.79266	0.7
173.05984	2.7
175.03876	4.3
177.05482	4.1
179.03398	8.4
181.04936	1.5
183.04410	1.7
185.06050	1.0
187.03839	4.7
187.05251	0.7
189.05470	2.4
191.03448	7.3
193.04982	3.3
197.05940	2.5
201.05464	8.3
203.03377	7.5
203.07057	2.0
205.04956	6.2
207.03012	1.0
213.05453	2.3
215.03380	1.6
215.07028	2.6
217.04973	2.3
219.06520	1.1
225.05313	0.8
229.04956	10.0
231.06514	1.5
233.04446	4.0
233.72098	0.7
237.05338	0.9
241.04956	1.1
243.06516	3.8
245.04460	6.7
247.06003	45.2
248.06355	2.7
253.04945	1.2
255.06483	2.2
257.04352	7.1
258.04974	0.9
259.06021	7.2
261.07523	1.2
263.05569	3.1
265.04810	0.9
269.04434	3.9
271.06012	16.3
272.06256	1.5
275.05511	10.1
283.05994	11.7
287.05466	21.4
288.05801	1.1
289.07025	14.4
295.05899	1.3
299.05566	5.6
301.07022	16.1
302.07391	0.9
305.06393	1.3
307.08099	1.0
317.06500	2.0
323.05371	1.9
391.07928	1.1
407.07584	8.8
408.07849	1.3
409.09146	16.7
410.09515	1.3
425.08640	8.1
427.10318	2.1
437.08627	1.4
443.09970	0.9
451.10062	2.1
595.10339	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.1546
Annotation	Catechin-(4alpha->8)-epigallocatechin-3-O-gallate
Peak:m/z	Relative Intensity
55.01870	2.3
57.22373	0.4
64.85204	0.5
67.05506	0.6
68.99787	6.9
71.05033	1.0
72.20390	0.5
75.95952	0.6
79.01847	4.3
81.03389	1.2
86.05006	0.5
93.03355	0.5
95.04946	1.2
97.02884	1.5
99.04427	0.6
105.07018	0.6
107.01325	1.2
107.04166	0.5
107.04925	1.2
109.02859	1.1
111.00792	4.7
111.04427	1.8
115.05448	0.8
117.07028	1.2
119.04923	1.0
120.54089	0.5
121.02837	1.2
123.04422	24.1
124.04733	0.5
125.02328	2.2
127.03912	22.2
127.04853	1.1
131.04897	1.2
133.02847	1.3
135.04404	6.6
137.02382	0.8
139.03897	38.8
140.04219	0.9
141.06952	0.6
143.03395	6.9
143.04510	0.8
143.04968	0.8
145.06378	1.0
147.04408	8.7
149.02333	1.9
149.05925	0.7
151.02657	0.9
151.03900	21.8
153.01823	100.0
153.02887	5.1
154.02155	2.7
155.03314	0.9
155.04921	1.1
155.73988	0.5
157.06483	1.0
159.04427	1.8
161.05969	2.3
163.03889	10.3
165.05473	3.3
167.03400	1.9
169.06499	1.0
171.04420	2.1
173.05977	2.5
175.03903	9.5
176.04305	0.7
177.01845	1.0
177.05469	4.0
179.03378	8.7
179.06982	0.8
181.04977	0.7
183.04427	1.1
183.87933	0.6
185.06042	2.6
187.03842	2.4
187.07524	0.6
189.05453	3.3
190.98180	0.5
191.03368	2.9
193.04884	2.3
197.05956	2.3
199.03867	3.6
201.05486	6.2
203.03386	18.2
203.06972	0.7
204.03633	0.5
205.04953	1.8
207.06578	1.4
211.03970	2.0
213.05437	4.2
215.03386	1.5
215.07089	0.7
217.04938	4.1
219.06508	1.3
223.02267	0.8
225.05475	0.9
227.03325	1.1
229.04930	8.0
231.06583	1.5
233.04414	2.5
241.04826	2.9
243.06505	0.8
245.04454	10.0
246.05042	0.6
247.05980	9.0
253.04951	1.1
257.04419	14.6
258.04837	0.8
259.06100	4.1
263.05515	6.0
267.06470	0.6
269.04431	3.4
271.06039	7.4
273.07501	0.8
273.33017	0.5
275.05490	20.0
276.05814	1.2
281.04431	0.7
283.06049	2.6
287.05493	62.3
288.05786	4.5
289.07141	2.4
291.08582	3.5
295.05884	0.7
299.05487	13.6
300.05945	1.5
301.06909	3.0
303.04947	1.2
305.06604	1.9
315.05029	0.6
317.06689	2.0
323.05338	0.7
331.04413	1.1
407.07596	2.2
409.09183	3.7
425.08682	14.1
426.08859	1.7
427.10214	13.9
428.10678	1.7
443.09869	0.6
451.10089	1.1
469.08450	0.5
547.21741	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.4
55.01851	0.5
55.05510	1.1
56.15260	0.4
57.03429	0.4
67.05513	1.9
69.07059	1.2
69.59180	0.6
69.59589	1.9
79.05486	1.1
81.03373	1.0
81.07065	1.8
83.08601	0.8
85.02905	0.7
86.09715	0.7
91.05482	1.0
93.07069	1.4
95.08596	1.9
97.10177	0.5
105.19915	0.4
107.08578	0.6
109.10157	1.3
133.10143	0.6
184.07370	1.4
193.12334	0.7
195.00330	0.9
211.13258	0.5
285.16803	0.5
339.29196	0.5
340.29199	0.6
505.38852	0.6
511.18954	0.5
512.66144	0.5
523.40845	0.4
535.26862	0.8
550.41522	1.0
625.96637	0.5
747.40753	100.0
748.41077	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.9
55.05508	2.3
55.72131	0.8
57.03438	1.1
57.22120	0.7
60.49758	0.8
61.02935	5.5
65.03913	1.0
67.05492	4.5
69.03435	3.9
69.07059	2.3
69.53661	5.1
70.21923	0.8
71.92999	0.8
73.02911	4.3
79.05503	3.0
81.03424	3.7
81.07045	5.7
83.08633	1.2
85.02888	7.2
85.03283	0.7
91.03973	3.2
91.05484	4.1
92.17510	0.9
93.07069	3.7
95.04971	2.1
95.08605	3.9
97.02898	3.6
99.04447	1.2
101.02382	3.3
105.07057	2.5
107.08625	2.9
109.10151	1.9
119.08611	1.6
121.10122	2.1
127.03945	1.5
131.08551	1.6
133.10182	1.9
135.11780	1.4
147.11653	1.4
184.07327	1.4
184.92090	0.8
193.12236	1.5
243.08447	1.4
377.82297	1.2
469.20279	7.3
519.28979	4.5
570.71906	1.1
747.42792	100.0
748.43079	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	747.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69028	0.2
53.03958	0.8
55.01873	0.6
55.05512	1.4
57.03437	2.2
58.48101	0.3
61.02924	5.5
65.61765	0.3
67.05502	5.2
69.03431	3.5
69.07076	1.4
69.13167	2.5
71.01362	0.4
71.05000	0.9
73.02917	4.1
78.36752	0.3
79.05487	3.5
81.03419	2.4
81.07053	4.9
81.07503	0.5
82.07369	0.3
82.95119	0.3
83.08637	1.0
85.02900	5.9
85.06563	0.4
91.03957	3.2
91.05473	2.5
93.07043	4.1
95.04979	0.9
95.08599	3.2
97.02888	4.9
97.06546	0.6
97.10179	0.6
99.04472	1.2
101.02390	1.3
105.07017	1.9
107.08601	2.0
109.02897	0.8
109.06532	0.5
109.10153	1.6
111.08060	0.3
115.03953	0.7
117.07003	0.6
119.08565	1.5
121.10116	1.7
123.11728	0.5
127.03932	1.5
129.07021	0.7
131.08612	0.9
133.10156	0.8
135.11703	0.7
137.06009	0.7
145.05019	0.5
147.11690	0.8
149.13324	0.5
157.10120	0.4
182.38905	0.3
184.07422	0.6
184.59262	0.3
185.04245	0.7
193.12340	0.5
243.08278	1.4
251.12619	1.0
335.25864	0.5
369.77957	0.3
469.20560	2.8
519.29254	8.0
520.29449	0.6
611.65887	0.4
747.42810	100.0
748.43158	16.9
748.56848	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
55.01875	0.5
55.05515	1.7
57.03428	2.7
57.07080	0.5
61.02926	5.7
67.05507	6.1
69.03423	3.4
69.07070	1.4
71.01353	0.6
71.04984	0.9
73.02918	4.9
79.05497	3.8
80.05825	0.5
81.03424	3.7
81.07061	6.3
81.57456	0.4
83.08624	1.6
85.02899	6.8
87.04471	0.5
91.03944	3.4
91.05472	3.1
93.07044	4.0
95.04990	1.5
95.08611	3.6
97.02904	5.3
99.04484	1.0
101.02392	1.8
105.07056	1.8
107.08583	2.8
109.02895	1.0
109.10128	2.1
111.08064	0.7
119.08601	1.8
121.10139	2.1
123.11763	0.6
127.03902	1.6
131.08566	0.9
133.10110	0.9
135.11740	0.8
145.10083	0.5
147.11729	1.0
157.10159	0.8
175.11201	0.5
184.07442	1.0
193.12312	1.6
203.05276	0.7
211.13287	0.9
219.41782	0.5
243.08475	2.4
249.11349	0.4
251.12563	4.9
335.25949	0.8
469.20334	5.0
469.26312	0.5
518.86359	0.5
519.29285	8.4
520.29456	1.4
532.82202	0.4
539.48291	0.4
679.97266	0.5
747.42780	100.0
748.43127	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	747.4287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.6
55.05511	1.4
57.03441	2.1
57.07073	0.8
60.08170	0.6
60.77839	0.7
61.02932	4.8
67.05507	6.0
69.03439	2.7
69.07074	1.9
69.22883	0.6
69.23182	5.1
73.02921	3.3
79.05482	5.2
81.03429	1.5
81.07056	7.7
83.08631	2.1
85.02909	3.4
85.06541	0.6
86.09706	2.9
86.10934	0.6
91.03967	2.2
91.05486	4.8
93.07050	7.2
95.04974	1.5
95.08590	4.7
96.09022	0.6
97.02900	3.2
97.06564	1.2
99.04440	1.2
99.08160	0.7
101.02386	1.1
105.07001	3.1
107.04971	0.6
107.08588	3.7
109.02881	1.1
109.10187	2.1
109.30909	0.7
111.08108	1.0
117.07039	1.0
119.08611	2.4
121.10160	3.1
125.00021	2.1
125.09659	0.7
127.03927	1.1
129.07063	0.8
131.08577	1.7
133.10176	2.7
135.11731	2.2
137.06012	0.7
145.10133	0.9
147.11601	1.3
149.13310	1.9
149.41479	0.6
151.07535	0.9
159.08110	0.7
159.11748	1.8
161.13310	1.0
173.11832	0.5
173.13380	1.0
175.14905	0.6
184.07318	9.1
185.04260	1.2
185.07750	1.0
235.13226	1.9
243.08485	2.5
301.09161	0.9
315.10654	0.8
319.38614	0.9
330.85349	0.5
397.18744	0.8
453.21021	6.9
519.28656	0.6
525.23401	1.5
535.28772	6.0
747.42871	100.0
748.43268	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	747.429
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73783	0.4
54.14330	0.4
55.01873	0.6
55.05510	1.6
55.13864	0.4
57.03434	1.5
60.08163	0.5
61.02923	3.9
65.03922	0.5
65.69943	0.4
67.05505	6.9
69.03428	3.2
69.07071	1.9
70.00970	0.6
70.01308	1.4
71.04987	0.7
73.02916	4.0
79.05497	5.6
80.74513	0.5
81.03425	2.0
81.07054	6.6
83.08625	1.8
85.02904	4.7
85.06545	0.6
86.09706	1.9
91.03939	2.2
91.05476	4.5
93.07045	5.9
95.04974	0.8
95.08604	3.3
97.02895	3.6
97.06549	1.5
97.10184	0.7
99.04472	0.9
101.02392	1.6
103.04020	0.6
105.07033	3.0
107.08588	4.1
109.02883	0.5
109.06571	0.6
109.10170	1.3
117.07058	1.7
119.08575	2.2
121.10121	3.2
123.08121	0.7
125.00046	1.5
127.03938	1.1
129.05527	0.6
131.08591	1.5
133.10155	2.6
135.11696	1.6
143.08546	0.7
145.04939	0.6
145.10124	0.8
147.11719	1.9
149.13295	1.9
151.07594	0.9
159.11690	1.2
173.11833	0.4
175.14742	0.5
184.07320	7.6
185.04221	1.0
185.07657	0.7
217.12213	0.6
235.13232	1.9
243.08405	2.9
259.20746	0.6
267.19742	0.5
299.09299	0.5
301.08994	1.1
315.10605	0.8
339.22855	0.5
443.18948	0.6
453.20953	9.9
525.23792	1.0
535.28778	5.7
747.42841	100.0
748.43182	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	748.338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00312	0.1
53.03945	0.4
55.01873	0.3
57.03431	0.2
59.56802	0.1
63.02413	0.1
65.03936	0.2
67.05527	0.1
69.03436	0.2
70.17065	0.1
70.49358	0.3
77.03923	0.1
78.04707	0.1
79.05024	0.1
79.05486	2.6
79.36889	0.1
81.03426	0.3
85.02907	0.9
88.61739	0.1
91.05473	1.5
92.02705	0.1
93.06991	0.1
95.04967	1.2
97.02879	0.3
103.05466	2.3
105.04509	0.2
105.07026	3.0
106.04173	0.1
107.04949	30.9
107.08582	0.6
108.05272	0.9
109.06508	0.1
109.88763	0.1
110.03674	0.3
111.04469	0.2
114.50951	0.1
115.05456	1.8
117.07018	1.1
119.04935	0.2
120.05730	0.7
121.06483	0.3
123.04435	0.4
124.05238	0.6
125.05984	0.4
127.03889	0.1
131.04933	0.5
133.02785	0.1
133.06470	0.2
134.07335	0.1
135.08047	9.6
136.08412	0.3
137.05974	0.4
139.03877	0.2
145.04948	0.2
145.06535	0.2
145.07542	0.7
147.04410	0.5
148.05165	0.3
151.03917	0.3
152.04672	0.3
154.06230	2.4
161.05884	0.2
162.06494	0.1
162.07718	0.1
163.07536	16.5
164.07819	0.7
165.05487	0.4
167.07030	16.2
168.07364	0.6
175.07584	0.1
180.07770	3.0
180.09203	0.2
181.08142	0.1
187.07553	0.1
193.35579	0.1
195.10155	100.0
196.10495	4.2
196.12315	0.2
207.10156	0.3
209.11987	0.1
213.11214	1.2
223.09644	0.2
237.11116	0.2
273.28641	0.1
303.12296	0.2
321.13364	0.3
339.14349	0.2
387.49738	0.1
407.20578	0.2
605.86798	0.1
644.14758	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	748.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.3
55.05507	8.0
56.12855	3.5
67.05508	14.6
69.03427	7.7
69.07073	11.0
70.11907	3.4
70.20185	13.8
71.04987	32.9
73.06583	4.4
79.05490	16.4
81.03416	10.5
81.07059	40.8
81.83936	3.9
82.10452	4.1
83.08633	6.1
85.02924	6.4
87.22878	3.5
89.06037	7.8
91.05477	21.7
93.07042	43.9
95.04964	28.6
95.08606	20.3
97.02922	7.5
97.06554	8.3
97.10207	4.2
103.05431	4.2
105.07035	41.5
107.04984	7.3
107.08592	87.4
108.72726	4.4
109.02898	7.0
109.06564	4.6
109.10152	44.2
111.08074	48.4
117.07000	7.1
119.08581	33.4
121.10113	20.5
125.09620	38.3
127.03886	7.2
127.11250	4.0
130.56734	3.8
131.04948	6.1
131.08568	12.8
133.10130	19.3
135.11679	44.5
137.05997	31.0
137.09599	6.0
143.08521	4.1
145.10120	29.8
147.08075	7.5
147.11687	67.2
149.13252	4.8
151.03894	8.2
151.07616	5.1
151.11148	4.4
153.01839	6.7
153.12735	31.8
157.10114	8.0
159.11734	12.8
161.09683	4.4
161.13297	5.5
163.03880	8.0
163.11189	9.0
165.09126	9.4
165.12733	5.9
167.07033	23.3
173.13217	5.3
175.11189	7.0
175.14787	4.6
175.22440	4.5
189.16365	46.7
191.18077	4.4
193.16071	4.9
199.14894	6.4
205.90459	4.1
207.06532	5.1
207.17448	9.3
217.15863	54.9
235.16917	78.2
253.17984	100.0
285.07632	12.1
297.07529	26.0
379.21078	20.4
397.22433	22.9
584.31189	4.2
587.14972	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	749.444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.6
53.46938	0.5
54.90971	0.5
55.05507	2.9
57.03437	1.9
57.07064	0.8
61.02925	6.1
67.05504	6.6
69.03434	4.5
69.07064	3.0
71.04997	1.2
71.33459	1.0
73.02918	4.2
79.05499	3.6
81.03428	2.8
81.07052	8.0
83.04980	0.8
83.08626	2.3
83.77097	0.5
85.02905	6.7
87.04472	1.6
91.03938	3.6
91.05505	2.4
93.07043	3.5
95.04955	1.1
95.08607	4.8
97.02892	5.3
97.10190	1.2
99.04450	0.9
101.02383	1.5
105.07047	2.0
107.04936	0.7
107.08593	1.8
109.02882	1.3
109.10172	2.3
117.07070	0.6
118.44656	0.6
119.08597	1.7
121.10143	2.1
121.42004	0.5
123.08131	0.6
123.11741	1.1
127.03967	1.3
129.07050	0.5
131.08615	0.8
133.10161	1.8
135.11678	1.1
137.09634	0.7
147.11734	1.3
149.13274	0.5
157.10130	0.5
181.02005	0.6
182.47282	0.5
184.07469	1.3
185.04303	0.7
193.12296	0.7
213.16472	0.6
234.25032	0.6
243.08392	1.3
251.12607	1.5
267.15811	0.6
313.27390	0.7
332.77133	0.6
337.27621	0.7
469.20395	3.9
521.30865	7.7
522.30927	0.8
749.44373	100.0
750.44659	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	749.4442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	0.9
55.05499	3.3
57.03426	2.5
57.07066	0.9
60.32178	0.8
61.02927	6.9
67.05494	5.4
69.03417	3.3
69.07063	2.8
69.39671	4.6
71.04981	1.4
73.02917	4.1
79.05487	3.4
81.03414	5.2
81.07059	6.0
83.08633	1.7
85.02905	7.2
87.04501	1.2
89.03917	1.3
91.03940	3.7
91.05479	3.5
93.07042	3.3
95.04971	1.5
95.08607	4.4
97.02882	5.0
98.22644	1.6
99.04490	0.8
99.08138	0.8
101.02383	1.5
105.07005	1.6
107.08614	1.8
108.68414	0.7
108.92764	0.7
109.10172	1.7
117.03373	2.7
117.06989	0.7
119.08585	2.9
121.10154	1.6
123.11686	0.8
127.03936	1.4
129.07018	0.7
131.08592	1.3
133.10100	1.7
145.02893	3.5
145.10135	1.0
147.11655	1.5
157.10124	0.8
172.09195	0.7
177.05464	7.7
184.07370	2.0
185.04295	0.8
193.12251	2.0
243.08452	1.4
251.12708	0.8
267.15891	1.3
271.07269	0.7
303.97272	0.7
307.15320	0.8
469.20425	8.1
470.20493	1.0
521.30823	5.0
674.80139	1.1
749.44330	100.0
750.44720	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	750.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.5
58.60192	1.7
61.19785	1.6
69.03444	3.6
69.19745	14.9
79.01841	3.7
80.55577	1.8
81.03418	12.4
85.02869	2.6
97.02892	6.3
103.29765	1.5
107.01307	2.0
109.02870	6.6
125.02361	4.4
127.03865	8.7
133.02884	2.0
137.05980	4.1
140.60704	1.5
143.03450	3.9
145.06471	6.8
151.03912	4.7
153.01819	100.0
153.02835	3.6
154.02197	3.2
161.06032	2.7
167.07019	23.3
171.02914	17.0
173.06010	10.7
181.04921	2.4
181.15132	1.8
190.06300	4.5
193.08595	2.6
205.08588	18.6
210.14821	1.7
217.08542	8.8
219.10159	2.9
235.09572	4.1
265.10782	5.8
297.06104	10.0
315.06760	9.8
383.14743	2.8
401.16122	2.7
533.63898	2.2
587.45947	1.8
720.60248	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	750.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.9
55.01869	10.9
55.05510	4.9
57.03428	2.3
65.03928	1.4
67.05500	9.2
69.03424	10.6
69.07063	11.6
69.70789	4.8
71.04981	6.1
78.39813	1.1
79.05490	12.0
81.02963	1.9
81.03416	24.4
81.07052	21.5
82.03732	1.1
83.04974	4.1
83.08610	1.1
85.02907	3.3
85.06540	5.6
91.05457	7.9
93.07041	29.7
95.04974	5.3
95.08598	10.7
97.02867	3.7
97.06520	11.9
98.22633	1.5
99.04451	10.9
103.05482	1.4
105.07028	21.9
106.68118	1.0
107.04313	1.0
107.04961	4.4
107.08591	42.2
109.02871	18.5
109.06498	10.8
109.10159	3.1
111.04440	1.9
111.08077	6.8
111.11734	1.2
113.05996	3.1
117.06998	2.8
119.08601	8.7
119.69907	1.1
121.06499	11.9
121.10136	24.7
121.15093	1.1
122.10558	1.1
123.04420	2.5
123.08057	7.1
125.06007	1.9
125.09632	1.5
127.03913	18.6
127.07537	2.9
129.06972	1.3
130.07787	1.1
131.04948	1.1
131.08559	3.1
133.06464	2.8
133.10127	1.9
135.08038	5.6
135.11684	10.6
137.05948	3.9
137.09633	1.9
139.07529	2.0
139.11148	2.0
143.08505	1.6
143.38744	1.0
145.10115	23.9
146.10464	1.5
147.08054	1.7
147.11696	5.4
149.05969	2.5
149.09628	13.8
149.13255	1.2
151.03853	1.5
151.07532	10.0
153.01801	1.2
153.12762	1.3
157.08669	1.3
161.05974	2.2
163.07562	2.4
163.11176	58.4
164.11526	2.5
165.09081	1.3
165.12784	1.9
167.07054	1.3
167.10658	19.4
169.08604	71.8
170.08926	3.0
173.09633	6.0
173.13348	1.0
177.12589	1.2
179.10614	1.8
180.07307	1.0
181.12224	15.8
182.12430	1.5
185.11800	5.1
185.13158	1.1
189.08986	1.1
191.10648	30.6
192.10986	1.8
203.06972	1.7
203.10641	1.1
207.06531	1.3
207.10106	1.4
209.11717	37.1
210.12047	2.3
227.12766	100.0
228.13083	5.8
245.13683	2.1
255.12111	1.4
267.16010	2.4
269.13797	5.2
271.13293	2.2
283.15485	1.4
285.03860	4.1
285.11258	1.2
287.01831	1.6
289.14297	2.7
299.01917	1.8
311.14722	1.5
313.03412	11.6
314.04111	3.0
315.01248	7.2
317.13770	1.4
329.03009	1.2
330.03732	13.2
335.14874	7.0
345.06021	48.3
346.06372	3.2
353.15912	32.3
354.16278	3.1
371.16995	21.6
372.17279	2.5
387.15350	1.1
389.17880	1.7
423.62128	1.1
475.26929	1.9
570.27930	1.3
749.40918	1.6
750.39294	1.1
751.41748	5.4
759.98730	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.4
55.01880	1.2
55.05518	4.0
57.03435	0.7
61.02895	0.7
63.36380	0.4
65.03939	0.6
65.53827	0.5
67.05499	7.5
69.03421	4.9
69.07056	1.2
71.04980	2.5
71.32670	0.8
77.03928	0.9
77.35431	0.4
79.05034	0.7
79.05488	11.4
79.98546	0.4
81.03413	7.9
81.07047	4.7
83.04967	3.9
85.02901	4.2
91.05482	5.4
93.07049	3.0
95.01289	1.1
95.04955	7.0
95.08598	3.6
97.02864	3.0
97.06538	2.6
99.04449	4.4
103.05470	0.6
105.04509	0.5
105.06340	0.6
105.07029	9.2
107.04949	20.4
107.08591	2.8
109.02889	4.1
109.06518	4.7
109.10152	30.9
110.03661	2.8
110.10466	0.8
111.04437	3.3
115.05444	0.7
117.07008	1.9
119.04953	0.5
119.08576	9.5
121.02842	0.7
121.06496	2.7
123.04414	1.8
125.05976	13.8
127.03912	2.3
128.06229	5.2
129.07021	4.2
131.04915	0.5
131.08592	1.2
133.06465	1.7
133.10123	9.8
135.08018	1.5
137.06010	2.5
137.09610	54.7
138.09909	1.4
139.03943	2.9
139.04823	0.5
141.06958	0.5
143.07080	1.4
143.08549	13.2
145.02899	1.0
145.06465	1.7
145.10091	2.8
146.07211	2.9
147.08041	20.1
147.91312	0.5
148.08400	0.7
149.05960	1.4
151.03911	1.1
151.07539	0.5
151.11229	0.6
153.01846	1.4
153.05464	23.1
154.06255	7.7
159.08003	1.4
161.09608	100.0
162.09927	4.9
163.07529	0.8
163.11205	3.4
165.09105	90.5
166.09482	4.3
167.07007	3.1
167.53665	0.4
170.05698	1.1
171.08003	1.4
171.57924	0.5
173.04503	1.0
173.05890	0.5
174.06721	2.0
177.05428	2.4
178.06143	0.5
179.10645	9.0
181.04938	0.7
185.08087	37.2
186.08444	1.7
189.09082	11.1
190.09415	0.9
190.56488	0.7
191.07120	0.5
197.08015	0.5
197.11752	4.4
198.99356	0.4
205.08546	0.5
207.10152	91.3
208.10497	4.2
221.08086	0.6
225.11198	50.8
226.11533	2.1
227.09073	1.2
243.12297	1.9
247.09555	0.9
251.09050	1.0
252.07489	0.6
275.09131	7.6
278.91028	0.6
280.64371	0.6
285.13367	0.7
293.10178	3.4
311.11295	1.7
327.14230	1.8
351.14383	0.7
369.15469	6.7
370.15918	0.5
387.16461	14.4
388.16739	1.1
389.97412	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.6
55.01871	1.9
65.03934	2.3
67.05487	1.2
68.82858	1.0
69.03406	2.9
69.03734	10.0
69.07062	1.0
71.93562	1.1
79.05470	2.8
81.03408	2.2
81.07063	2.0
83.04980	1.3
85.02890	3.7
87.29343	1.0
91.05476	15.2
93.03392	1.3
93.07026	1.7
93.84352	1.4
94.04179	1.1
95.04962	3.7
95.08612	1.7
97.02894	1.3
98.22552	2.2
99.04486	1.2
103.05452	4.5
103.61502	0.9
105.03391	1.1
105.07008	3.9
107.04957	12.9
107.08623	1.6
107.55865	0.9
109.02861	2.1
109.06521	1.8
110.03626	1.5
111.04432	2.9
113.06013	1.1
115.05478	3.2
115.90989	0.9
116.06235	2.9
117.07036	2.7
119.04950	2.1
119.08566	1.1
121.06504	1.6
121.10155	1.2
122.03611	1.3
123.04430	3.8
125.05975	2.9
127.04005	1.3
128.06186	1.7
129.07010	9.9
131.04915	5.3
131.08560	39.2
132.08865	1.8
133.06497	2.1
133.10103	1.3
135.04428	1.6
137.05968	30.8
138.06348	1.6
139.03896	1.5
140.04616	1.5
141.05447	2.2
141.07007	3.5
143.08496	1.1
144.05688	4.6
145.06479	8.5
145.10130	1.2
147.04375	6.5
147.08098	2.0
149.05975	4.0
151.03896	7.7
151.07529	7.6
153.05431	7.9
155.07063	1.8
157.06454	3.1
158.07246	1.1
159.08044	32.4
160.05225	1.3
161.05978	4.2
161.09567	1.8
162.06667	1.1
163.03905	1.9
163.07544	10.4
164.08240	1.2
165.05565	1.9
165.07005	2.7
165.09135	1.7
167.07047	15.8
167.08423	1.5
169.06453	2.8
173.06012	4.1
174.06717	4.3
175.07526	4.1
176.08231	1.6
177.09088	3.0
178.07732	1.4
179.07037	3.0
179.08537	1.8
181.04921	6.7
181.06422	2.0
181.08604	2.5
187.07512	6.5
189.05466	2.7
189.09091	14.1
190.04692	1.5
190.06226	11.5
191.06972	3.3
191.08615	4.1
191.10664	13.4
193.04846	1.6
193.06480	1.6
193.08569	2.0
193.10144	1.6
195.08058	4.4
196.08661	1.6
197.05988	1.7
197.09630	3.6
198.06798	1.4
199.07510	2.1
201.09114	3.6
203.06984	4.0
203.08719	2.2
203.10712	1.3
205.08595	10.8
206.07257	2.0
207.06485	3.4
207.08011	3.2
208.08815	3.7
209.07813	1.1
209.09584	3.3
210.06693	2.3
211.07594	2.5
215.06960	1.3
216.07840	1.3
217.08594	3.5
218.07269	2.0
219.08044	9.6
219.10196	8.6
220.08807	2.8
221.05919	2.8
221.09619	5.3
221.11653	1.7
222.06735	1.5
223.07578	2.3
223.11180	1.9
224.08340	2.3
225.05605	1.5
225.09232	10.5
226.06189	1.8
226.09592	1.9
227.03447	1.1
227.07080	2.3
227.10722	2.3
229.08653	1.9
231.08131	2.2
231.10159	5.6
233.09666	2.8
234.06792	3.3
235.07480	5.6
235.09599	23.9
236.08195	7.6
236.10329	1.4
237.09010	5.5
238.09714	1.4
239.06918	1.6
239.10645	3.4
240.07756	2.4
241.08551	7.7
242.05717	2.8
242.09015	1.3
247.07494	6.2
247.09682	2.1
248.08241	4.1
249.05351	1.3
249.09044	9.5
249.10962	1.1
250.06305	1.0
250.09650	1.5
251.06956	2.1
251.10645	10.6
252.07726	1.2
253.08548	4.4
253.12064	1.0
254.09335	1.6
255.10188	3.3
256.07410	1.4
257.08096	3.4
257.11578	2.1
261.09164	3.6
262.09735	2.1
263.07013	4.7
263.10617	4.5
264.07822	10.1
265.08490	4.7
265.10803	2.5
266.09326	4.4
267.06683	1.0
267.10068	4.6
268.10886	4.1
269.07993	2.1
269.11707	4.9
270.08850	1.9
271.09656	1.9
275.07034	1.1
277.08582	8.2
278.09357	7.1
279.10107	15.3
280.07315	1.6
280.10770	4.5
281.08035	3.6
281.11713	5.1
283.09821	2.6
283.13223	5.4
284.10367	2.1
285.07547	1.8
285.11005	1.5
291.06757	1.7
291.10037	1.3
292.07306	3.1
293.08075	2.7
293.11728	5.2
294.08789	1.5
295.05981	1.5
295.09610	2.9
296.10318	3.2
297.07617	2.8
297.11246	5.9
299.09055	7.8
299.12607	2.6
301.14359	1.4
306.08719	1.6
307.09601	17.0
308.10196	2.2
309.07523	4.6
309.11148	12.0
310.08533	1.6
311.09308	1.9
311.12601	8.6
313.10669	5.8
321.11157	9.0
323.12967	1.5
324.09937	4.7
325.10605	3.0
325.14355	1.7
326.11404	2.9
327.12238	3.3
329.13828	35.9
330.14166	3.7
339.12231	25.7
340.12848	2.4
341.13861	14.8
342.14154	1.6
343.15381	2.7
353.13809	8.9
354.14557	1.5
355.15390	6.4
357.13297	100.0
358.13599	7.4
363.23300	1.0
371.14847	24.5
372.15213	2.5
373.16330	2.3
389.16116	4.8
457.42709	1.1
501.65155	1.1
515.10730	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.7
55.01878	4.4
55.05504	2.9
56.75462	1.2
60.05633	1.5
63.56002	1.2
65.03934	4.9
67.05492	5.5
69.03426	5.4
69.07059	5.9
71.04995	3.8
77.82059	1.1
79.05501	7.9
81.03403	15.0
81.07055	12.2
83.04963	1.6
83.08672	1.2
85.02898	1.9
85.06532	4.0
91.05480	15.1
93.03423	4.0
93.06507	2.0
93.07041	16.2
95.04957	5.9
95.08598	9.0
97.02894	2.3
97.06534	5.0
98.22563	3.9
99.04440	6.3
101.33033	1.1
103.05457	4.1
105.07024	23.5
105.28861	1.1
106.07370	1.5
107.04950	4.9
107.08588	22.0
109.02876	8.9
109.06521	8.7
109.10168	3.3
111.04443	9.1
111.08079	2.7
113.06020	2.4
115.05489	1.4
117.07027	2.9
119.04955	10.2
119.08575	6.4
119.94327	1.1
120.79321	1.2
121.06498	8.0
121.10137	14.9
122.03647	4.0
123.04459	1.9
123.08084	5.2
125.05981	13.4
127.03914	10.7
128.06223	2.4
131.04901	1.8
131.08568	3.3
133.06491	10.6
135.08064	3.1
135.11685	6.5
136.05205	2.2
137.05969	100.0
138.06311	3.8
141.75563	1.1
143.08546	9.9
145.06493	3.9
145.10143	14.4
147.04407	1.5
147.11668	3.3
149.05971	1.7
149.09584	6.9
151.03915	14.7
151.07535	69.7
152.07863	1.5
153.05466	20.7
159.08112	3.3
159.20821	1.2
161.09584	1.6
162.06824	1.3
163.07535	2.7
163.11162	32.7
164.11523	1.4
165.09091	22.6
167.10675	9.2
169.08601	31.9
171.08046	11.1
172.08769	1.3
173.09631	2.7
175.07553	1.7
177.09077	3.2
181.08623	2.0
181.12233	7.9
185.11703	2.3
188.08313	17.0
191.10675	15.3
203.10666	69.1
204.11034	3.5
206.44626	1.2
207.10054	1.3
209.11731	17.0
221.11722	27.7
222.12166	1.9
227.12762	47.0
269.13901	1.6
289.14346	1.6
295.13284	1.6
317.13831	1.9
327.15881	55.2
328.16144	3.6
335.14984	3.3
345.16956	16.7
353.15955	16.7
371.17032	8.9
529.83521	1.2
535.32428	1.2
553.68030	1.4
736.67004	1.4
750.45496	13.8
751.44043	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	750.4986
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41265	1.4
53.03944	3.6
55.01873	1.8
55.05510	20.3
57.03180	2.3
57.03438	21.1
57.07078	11.9
61.02913	7.5
65.03941	2.1
67.05504	33.3
68.05813	1.7
69.03439	6.8
69.07068	29.1
69.61958	4.6
69.62378	2.5
71.04987	4.9
71.08640	5.7
73.02913	5.3
74.36606	1.2
79.05490	22.4
81.03413	64.8
81.06577	2.2
81.07054	40.3
81.07504	2.5
82.03748	1.8
82.07391	1.8
83.04978	6.9
83.08611	34.2
83.09097	2.1
84.08945	1.7
85.02903	7.2
85.06573	1.7
85.10199	2.7
86.09699	2.7
87.04473	6.6
91.03961	4.0
91.05473	19.8
93.07040	22.4
95.04957	20.3
95.08602	27.4
96.08919	1.7
97.02869	9.6
97.06523	6.3
97.10156	12.7
98.22625	2.1
99.04445	1.4
101.02390	2.9
104.09397	1.2
105.07033	14.6
106.07407	1.5
107.04968	4.9
107.08594	12.9
109.02881	1.7
109.06535	3.0
109.10162	12.8
111.04408	1.3
111.08068	8.9
111.11758	2.9
113.06041	1.5
114.09705	1.3
117.07038	3.6
119.08581	11.2
121.06509	2.4
121.10136	18.8
121.10874	1.6
123.04465	2.4
123.08073	1.9
123.11693	6.7
125.00043	1.8
125.09624	3.0
127.03928	2.0
129.06979	7.1
131.08556	7.4
133.06500	2.8
133.10153	4.7
135.08089	1.9
135.11687	10.1
137.09666	1.3
137.13232	1.7
139.11220	1.8
142.07773	2.7
145.10159	3.2
147.08043	3.0
147.11644	6.8
149.09680	5.4
149.13277	3.8
150.98572	1.2
157.10118	7.7
163.11263	3.0
175.11165	7.9
184.07269	6.4
185.04379	1.5
193.12227	19.2
193.13716	1.5
194.12617	1.6
194.74660	1.2
198.03412	1.2
211.13379	1.9
235.13312	1.7
237.22177	2.4
243.08420	2.1
249.15013	2.3
259.13400	1.8
267.15894	97.7
268.16229	7.6
309.16931	2.0
311.25781	81.9
312.26230	5.5
313.27505	5.1
429.33627	2.8
469.20779	2.4
470.20938	2.8
503.37289	68.5
504.37476	7.1
521.31171	2.8
521.38196	10.8
522.31244	4.0
522.38702	2.0
539.39795	1.9
545.38708	1.6
716.70868	1.5
750.44690	100.0
751.44067	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	750.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.7
55.05509	14.4
57.03451	8.7
57.07078	37.7
57.11685	1.2
58.07416	1.5
59.04997	1.6
65.03944	2.1
67.05505	54.4
69.03445	1.8
69.07070	19.4
69.07502	8.6
71.01356	2.2
71.04993	21.7
71.08633	29.0
79.05496	14.0
81.03395	1.5
81.07059	86.6
82.07386	2.8
83.05000	3.9
83.08624	17.2
85.02910	3.5
85.06544	10.1
85.10190	17.8
87.04471	4.0
89.05986	1.6
89.74857	1.2
91.05480	15.8
93.07050	12.2
95.01348	2.0
95.04989	2.1
95.08607	32.0
97.02892	2.2
97.06538	3.6
97.10165	7.6
99.11753	1.8
105.07033	11.9
107.08585	10.7
109.06519	2.2
109.10157	19.6
111.11769	1.9
113.02366	3.0
117.07036	3.1
119.08626	2.9
121.06520	1.7
121.10124	3.2
123.08108	1.5
123.11703	18.1
130.60966	1.4
131.03441	1.8
131.08583	3.1
133.10123	18.1
135.11710	4.5
137.13289	1.4
141.01820	3.8
145.10109	1.5
149.13255	3.1
149.75433	1.4
151.11168	6.4
157.10078	2.0
159.11749	3.2
169.12263	1.7
177.12846	2.6
183.13770	2.4
184.07333	1.6
187.13370	6.8
195.13814	1.7
195.67485	1.5
201.09007	1.4
220.93539	1.2
239.23721	5.3
243.15927	5.4
253.15486	1.3
269.17560	8.2
273.78995	1.3
301.20078	12.0
313.27377	41.3
314.27625	2.0
401.17950	2.2
481.38876	100.0
482.39310	13.5
495.40109	5.9
507.40656	9.9
508.40573	2.7
514.24823	1.9
539.43073	62.6
540.43268	6.9
609.44928	1.8
639.40778	2.8
657.41644	5.6
683.43823	2.2
684.44971	1.6
751.45941	2.0
779.99927	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.4986
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41265	1.4
53.03944	3.6
55.01873	1.8
55.05510	20.3
57.03180	2.3
57.03438	21.1
57.07078	11.9
61.02913	7.5
65.03941	2.1
67.05504	33.3
68.05813	1.7
69.03439	6.8
69.07068	29.1
69.61958	4.6
69.62378	2.5
71.04987	4.9
71.08640	5.7
73.02913	5.3
74.36606	1.2
79.05490	22.4
81.03413	64.8
81.06577	2.2
81.07054	40.3
81.07504	2.5
82.03748	1.8
82.07391	1.8
83.04978	6.9
83.08611	34.2
83.09097	2.1
84.08945	1.7
85.02903	7.2
85.06573	1.7
85.10199	2.7
86.09699	2.7
87.04473	6.6
91.03961	4.0
91.05473	19.8
93.07040	22.4
95.04957	20.3
95.08602	27.4
96.08919	1.7
97.02869	9.6
97.06523	6.3
97.10156	12.7
98.22625	2.1
99.04445	1.4
101.02390	2.9
104.09397	1.2
105.07033	14.6
106.07407	1.5
107.04968	4.9
107.08594	12.9
109.02881	1.7
109.06535	3.0
109.10162	12.8
111.04408	1.3
111.08068	8.9
111.11758	2.9
113.06041	1.5
114.09705	1.3
117.07038	3.6
119.08581	11.2
121.06509	2.4
121.10136	18.8
121.10874	1.6
123.04465	2.4
123.08073	1.9
123.11693	6.7
125.00043	1.8
125.09624	3.0
127.03928	2.0
129.06979	7.1
131.08556	7.4
133.06500	2.8
133.10153	4.7
135.08089	1.9
135.11687	10.1
137.09666	1.3
137.13232	1.7
139.11220	1.8
142.07773	2.7
145.10159	3.2
147.08043	3.0
147.11644	6.8
149.09680	5.4
149.13277	3.8
150.98572	1.2
157.10118	7.7
163.11263	3.0
175.11165	7.9
184.07269	6.4
185.04379	1.5
193.12227	19.2
193.13716	1.5
194.12617	1.6
194.74660	1.2
198.03412	1.2
211.13379	1.9
235.13312	1.7
237.22177	2.4
243.08420	2.1
249.15013	2.3
259.13400	1.8
267.15894	97.7
268.16229	7.6
309.16931	2.0
311.25781	81.9
312.26230	5.5
313.27505	5.1
429.33627	2.8
469.20779	2.4
470.20938	2.8
503.37289	68.5
504.37476	7.1
521.31171	2.8
521.38196	10.8
522.31244	4.0
522.38702	2.0
539.39795	1.9
545.38708	1.6
716.70868	1.5
750.44690	100.0
751.44067	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	750.5476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71941	0.3
55.05480	0.3
56.05021	0.4
67.05516	0.4
69.07053	0.9
69.71596	1.7
71.08614	0.9
75.15412	0.3
79.05476	0.6
81.07051	0.9
86.09698	100.0
87.09995	1.8
87.12974	0.3
91.05482	0.4
93.06998	0.5
95.08575	0.6
98.09679	1.6
100.21281	0.3
105.07007	0.3
107.08651	0.4
110.09784	0.3
112.11226	6.2
154.15887	18.4
155.16263	0.8
157.13351	9.3
167.11778	0.4
182.15440	0.4
185.12839	14.0
186.13165	0.6
199.18034	24.9
200.18416	1.0
209.16512	0.8
223.02487	0.4
225.19586	7.2
226.19975	0.3
227.17509	23.7
228.17926	1.3
235.18030	0.5
237.15964	0.6
253.19118	8.4
254.19423	0.4
255.17020	0.5
267.21405	0.5
267.24310	10.1
268.24557	0.6
277.22650	0.5
280.20187	0.5
295.23801	6.7
296.23996	0.5
298.21207	12.5
299.21509	0.8
322.24893	0.9
340.25894	6.3
341.26312	0.6
350.24844	0.5
366.27487	4.3
368.25339	0.4
383.30106	3.0
402.38501	0.3
408.32251	2.6
411.29581	8.1
412.30081	0.6
425.34769	1.5
453.34460	3.3
463.32748	0.5
479.35989	4.7
480.35953	0.4
481.33844	0.4
496.38504	3.1
500.28619	0.4
521.40759	1.8
524.38031	12.4
525.38477	1.3
538.43274	0.7
552.37103	0.5
566.42712	1.3
592.44379	5.7
593.44421	0.9
609.46942	4.5
610.47083	0.8
619.45227	0.6
634.49078	0.4
637.46411	13.4
638.46710	2.3
647.43256	0.4
665.45886	0.7
679.51147	0.6
705.52716	2.3
706.53259	0.7
722.55151	3.5
723.55066	0.7
732.53326	1.1
733.53088	0.5
750.42120	1.0
750.55005	5.7
751.41840	1.5
751.55078	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.459
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83775	1.2
55.05496	4.4
57.03424	1.6
61.02917	4.9
65.32529	1.2
67.05509	4.6
67.77106	1.3
69.03411	3.0
69.07049	5.1
69.23042	9.1
71.04939	1.5
73.02915	4.0
73.31497	1.2
76.56073	1.3
79.05474	2.6
81.03416	3.7
81.07038	4.8
83.08620	2.9
85.02900	5.7
86.09698	1.3
87.04428	1.9
91.03951	2.2
91.05454	2.5
93.07034	3.0
95.04999	1.2
95.08598	5.9
97.02897	4.7
97.10194	1.9
101.02373	1.7
105.07046	2.7
109.10171	2.2
109.74761	1.4
119.08587	2.3
121.10140	2.0
127.03928	1.2
131.08488	1.2
147.11766	1.4
193.12233	1.7
223.51337	1.3
243.08440	3.3
246.20226	1.4
251.12685	1.7
306.07544	1.3
394.66882	1.3
469.20560	6.6
523.32233	3.1
740.78644	1.5
751.46429	100.0
752.46997	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	752.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	1.0
55.01882	0.7
56.14272	0.4
57.03459	0.4
63.56078	0.4
65.03939	2.3
67.05525	1.0
69.03459	1.3
69.75758	2.1
78.04720	0.7
79.05490	1.0
81.03416	5.8
81.03812	0.5
85.02898	2.5
91.05527	1.1
93.03432	1.6
93.07035	0.6
95.04990	1.1
97.02908	1.8
99.04473	0.7
103.05458	0.7
105.07024	2.5
106.04147	0.6
107.04968	1.7
108.02120	1.6
109.02848	2.9
111.04440	4.3
117.07011	0.4
121.06511	0.9
123.04420	2.7
124.05219	1.3
125.05996	2.8
127.03949	1.0
131.04871	0.8
133.06505	2.2
135.04445	0.6
137.05986	1.1
141.05466	1.3
145.06494	0.5
147.08047	0.5
149.05975	0.9
151.03900	97.3
151.04977	6.4
152.04233	3.1
153.01785	0.7
161.05968	2.1
163.07542	1.1
165.09145	0.5
167.07027	100.0
168.07358	3.6
169.04955	7.9
170.05356	0.5
173.05994	0.7
177.05444	0.5
179.07062	0.6
181.04893	1.0
181.08594	1.2
193.08606	8.6
194.08966	0.4
195.06488	3.1
195.10245	0.7
205.08594	1.0
207.10130	1.0
211.06355	0.5
211.09634	13.3
213.11079	1.0
219.10188	0.4
221.07932	0.8
223.99026	0.4
235.09575	1.1
239.09045	0.7
253.07018	0.9
257.08173	0.4
295.04922	0.6
295.08121	9.3
296.08249	0.6
301.10446	0.7
313.09164	5.5
319.08258	0.4
319.11661	2.1
337.12762	0.5
361.12735	0.8
485.95221	0.5
752.25531	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.6
55.01654	2.5
55.01852	11.5
55.05516	9.2
57.03444	3.7
65.03951	3.8
67.05505	14.1
69.03427	19.4
69.07063	16.2
71.04990	11.0
79.05483	24.6
81.03419	37.7
81.07051	33.3
83.04977	11.5
83.08607	3.5
85.02888	11.2
85.06543	10.6
91.05486	22.9
93.06455	4.0
93.07040	50.5
93.07610	4.3
95.04971	20.4
95.08611	19.3
97.02898	8.4
97.06518	22.5
97.10187	3.3
99.04451	15.9
103.05473	15.2
105.07029	44.3
106.07326	2.6
107.04959	14.5
107.08591	65.2
108.89285	2.6
109.02879	33.4
109.06521	19.1
109.10157	15.8
111.04459	5.3
111.08094	10.5
113.05991	5.7
115.05420	15.1
117.07027	11.8
119.04961	7.9
119.08588	18.9
121.06470	20.9
121.10149	41.9
122.03677	3.5
123.04437	12.1
123.08087	6.6
124.74272	2.5
125.05984	11.3
125.09646	3.3
127.03922	24.4
127.07553	3.9
128.06204	3.2
129.07030	7.4
131.04935	15.9
131.08574	10.0
133.06490	18.4
133.10132	5.3
135.04410	5.1
135.08055	13.5
135.11681	16.4
137.05984	68.7
137.09621	20.5
139.03912	3.1
139.07570	3.7
139.11143	3.2
141.06996	7.2
143.04904	5.0
143.07072	3.5
143.08568	5.0
145.06505	6.2
145.10101	35.1
147.04407	11.2
147.08063	4.4
147.11723	12.2
148.05162	3.7
149.05998	11.8
149.09605	19.1
151.03934	20.6
151.07538	28.1
153.01831	44.2
153.05495	4.6
153.09134	3.1
153.12743	2.6
157.06493	7.1
157.08572	2.5
157.10118	3.0
159.08051	9.0
159.11714	2.9
161.05968	72.7
161.09601	4.1
162.06381	4.6
163.03996	3.9
163.07549	28.3
163.11168	71.8
164.08307	11.0
165.05490	2.5
165.09096	27.3
167.07057	35.9
167.08371	4.5
167.10667	24.3
168.07574	2.9
169.05153	3.1
169.06494	8.4
169.08615	66.3
170.08995	2.7
173.09645	9.0
175.07565	19.8
175.11230	3.7
176.07974	3.4
177.05511	6.9
179.07083	5.2
179.08493	4.0
179.10692	4.9
181.04948	3.7
181.08633	9.5
181.12233	17.3
185.11725	3.4
187.07556	27.1
189.05502	3.3
189.09134	9.8
191.07111	3.1
191.10677	35.6
193.08623	9.1
197.09688	4.3
199.07565	4.2
201.09137	2.9
201.11299	3.0
203.10580	2.4
205.08592	8.0
207.08104	7.4
207.10143	4.6
209.11682	41.0
213.09067	3.5
215.10625	5.0
219.10216	6.6
224.08287	4.6
225.09247	4.7
227.12761	100.0
228.13120	4.7
229.21103	2.6
233.09697	3.6
233.11743	3.6
235.07564	12.1
235.13383	2.7
239.10649	9.8
248.08334	3.5
249.09099	2.7
251.12856	10.0
252.07858	5.1
253.08592	6.8
257.11609	3.8
261.05310	2.6
261.09048	5.8
263.10712	3.1
265.12247	3.8
267.10110	19.1
269.13858	9.4
278.09433	3.9
281.08099	2.7
282.08926	4.2
285.11191	82.6
286.11548	6.5
287.12827	5.1
289.14200	4.2
291.10086	4.5
293.11737	8.7
297.06061	3.1
299.09741	2.6
299.12561	11.4
311.12738	44.8
312.13000	3.6
323.12836	3.4
329.13931	9.2
335.15027	7.1
337.14197	2.9
347.14902	94.6
348.15250	9.8
351.12061	2.8
353.15952	33.0
355.15274	5.2
371.17133	28.6
372.17282	3.1
389.17627	3.5
395.17838	2.9
424.17963	4.5
437.15424	3.0
519.23401	3.5
537.24872	5.7
589.33270	2.7
752.37994	7.0
753.28906	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	752.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.6
55.01654	2.5
55.01852	11.5
55.05516	9.2
57.03444	3.7
65.03951	3.8
67.05505	14.1
69.03427	19.4
69.07063	16.2
71.04990	11.0
79.05483	24.6
81.03419	37.7
81.07051	33.3
83.04977	11.5
83.08607	3.5
85.02888	11.2
85.06543	10.6
91.05486	22.9
93.06455	4.0
93.07040	50.5
93.07610	4.3
95.04971	20.4
95.08611	19.3
97.02898	8.4
97.06518	22.5
97.10187	3.3
99.04451	15.9
103.05473	15.2
105.07029	44.3
106.07326	2.6
107.04959	14.5
107.08591	65.2
108.89285	2.6
109.02879	33.4
109.06521	19.1
109.10157	15.8
111.04459	5.3
111.08094	10.5
113.05991	5.7
115.05420	15.1
117.07027	11.8
119.04961	7.9
119.08588	18.9
121.06470	20.9
121.10149	41.9
122.03677	3.5
123.04437	12.1
123.08087	6.6
124.74272	2.5
125.05984	11.3
125.09646	3.3
127.03922	24.4
127.07553	3.9
128.06204	3.2
129.07030	7.4
131.04935	15.9
131.08574	10.0
133.06490	18.4
133.10132	5.3
135.04410	5.1
135.08055	13.5
135.11681	16.4
137.05984	68.7
137.09621	20.5
139.03912	3.1
139.07570	3.7
139.11143	3.2
141.06996	7.2
143.04904	5.0
143.07072	3.5
143.08568	5.0
145.06505	6.2
145.10101	35.1
147.04407	11.2
147.08063	4.4
147.11723	12.2
148.05162	3.7
149.05998	11.8
149.09605	19.1
151.03934	20.6
151.07538	28.1
153.01831	44.2
153.05495	4.6
153.09134	3.1
153.12743	2.6
157.06493	7.1
157.08572	2.5
157.10118	3.0
159.08051	9.0
159.11714	2.9
161.05968	72.7
161.09601	4.1
162.06381	4.6
163.03996	3.9
163.07549	28.3
163.11168	71.8
164.08307	11.0
165.05490	2.5
165.09096	27.3
167.07057	35.9
167.08371	4.5
167.10667	24.3
168.07574	2.9
169.05153	3.1
169.06494	8.4
169.08615	66.3
170.08995	2.7
173.09645	9.0
175.07565	19.8
175.11230	3.7
176.07974	3.4
177.05511	6.9
179.07083	5.2
179.08493	4.0
179.10692	4.9
181.04948	3.7
181.08633	9.5
181.12233	17.3
185.11725	3.4
187.07556	27.1
189.05502	3.3
189.09134	9.8
191.07111	3.1
191.10677	35.6
193.08623	9.1
197.09688	4.3
199.07565	4.2
201.09137	2.9
201.11299	3.0
203.10580	2.4
205.08592	8.0
207.08104	7.4
207.10143	4.6
209.11682	41.0
213.09067	3.5
215.10625	5.0
219.10216	6.6
224.08287	4.6
225.09247	4.7
227.12761	100.0
228.13120	4.7
229.21103	2.6
233.09697	3.6
233.11743	3.6
235.07564	12.1
235.13383	2.7
239.10649	9.8
248.08334	3.5
249.09099	2.7
251.12856	10.0
252.07858	5.1
253.08592	6.8
257.11609	3.8
261.05310	2.6
261.09048	5.8
263.10712	3.1
265.12247	3.8
267.10110	19.1
269.13858	9.4
278.09433	3.9
281.08099	2.7
282.08926	4.2
285.11191	82.6
286.11548	6.5
287.12827	5.1
289.14200	4.2
291.10086	4.5
293.11737	8.7
297.06061	3.1
299.09741	2.6
299.12561	11.4
311.12738	44.8
312.13000	3.6
323.12836	3.4
329.13931	9.2
335.15027	7.1
337.14197	2.9
347.14902	94.6
348.15250	9.8
351.12061	2.8
353.15952	33.0
355.15274	5.2
371.17133	28.6
372.17282	3.1
389.17627	3.5
395.17838	2.9
424.17963	4.5
437.15424	3.0
519.23401	3.5
537.24872	5.7
589.33270	2.7
752.37994	7.0
753.28906	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	752.491
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	0.8
57.03424	0.4
67.05495	0.6
68.05016	0.3
68.33974	0.3
69.07068	1.0
69.10860	2.5
69.15910	0.3
70.02962	1.5
71.08617	1.0
81.07056	0.7
83.08647	0.3
85.02882	0.4
86.09704	100.0
87.10034	1.3
88.04010	0.8
93.07040	0.5
95.08582	0.4
97.06538	0.3
98.09694	1.2
100.03981	0.3
109.10176	0.3
112.11237	8.8
112.12018	0.5
113.07150	0.5
116.31709	0.3
134.40729	0.3
138.09164	0.6
141.06602	1.3
141.10229	0.7
154.15904	16.3
155.11790	0.6
155.16296	0.4
156.10205	2.1
157.13361	9.5
165.10309	0.3
166.08627	1.0
167.11809	0.6
182.15437	0.5
183.11259	3.7
184.09735	0.6
185.12845	10.0
185.14500	0.5
186.13324	0.3
195.11299	0.7
199.18065	11.2
200.18358	0.5
201.12331	21.2
202.12755	0.6
209.16499	0.8
211.10873	0.6
212.09222	0.6
225.19600	7.2
226.20081	0.3
227.14059	0.5
227.17528	6.9
227.19606	0.5
228.17841	0.4
229.11833	15.4
230.12247	0.7
235.18106	0.7
237.12445	0.5
237.15976	0.5
251.17831	0.4
253.19073	3.9
254.14926	1.4
254.19370	0.3
255.13373	0.8
267.24335	5.1
268.24469	0.3
269.18594	4.3
272.16235	0.4
277.85477	0.3
280.20160	0.4
282.14502	0.6
283.12869	1.2
295.20865	0.3
295.23718	1.6
296.19656	1.0
297.18051	4.4
298.17947	0.5
298.21225	5.8
299.21283	0.3
300.15521	9.7
301.16025	0.6
314.21063	0.3
324.19186	0.6
326.20801	0.6
340.25916	1.8
342.20261	5.0
343.20465	0.4
352.18661	0.3
364.25754	0.3
366.27466	1.5
367.23459	1.8
368.21756	1.5
383.30103	1.4
384.30905	0.3
385.24405	1.0
395.22955	3.5
408.32156	0.4
409.28329	0.6
410.26428	3.1
411.29669	4.3
413.23941	6.5
414.24277	0.5
423.22446	0.4
437.27347	0.7
453.34763	0.4
455.28574	3.5
463.29324	0.4
479.36038	1.3
480.31726	2.1
481.30338	3.1
482.30481	0.4
496.38519	1.2
498.32755	1.5
508.31296	6.3
509.31531	0.9
522.36237	0.8
523.34705	0.8
524.38055	1.6
526.32306	8.2
527.32550	1.0
536.30719	0.4
550.35510	1.5
568.37048	1.7
576.37451	0.5
593.39709	1.5
594.38477	4.7
595.39227	0.4
599.36896	0.3
604.36908	0.4
611.41302	2.1
621.39594	4.0
622.39471	0.5
636.43488	0.4
637.46112	0.5
639.40747	9.8
640.41113	1.7
707.46851	2.2
724.49597	3.4
725.49768	1.1
734.48767	1.4
752.40228	0.6
752.49988	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	752.5147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.3
55.01868	1.4
55.05515	7.6
57.03437	13.7
57.07077	28.7
61.02935	1.2
65.03933	0.9
66.73246	0.8
67.05507	15.8
69.03417	2.1
69.07070	8.2
70.46055	0.8
71.05001	1.0
71.08632	21.1
72.47935	0.9
73.02922	1.1
75.04448	1.0
77.15065	0.9
79.05492	9.2
81.03419	56.1
81.07054	19.5
82.03767	1.2
83.04974	3.7
83.08624	15.7
85.10187	11.2
86.09715	1.7
91.05476	10.6
93.07048	5.5
95.04972	16.4
95.08606	16.4
97.02884	2.0
97.10174	5.0
98.23335	2.3
105.07043	9.2
107.04953	3.8
107.08603	3.1
109.02849	1.1
109.06531	1.5
109.10159	7.7
111.04444	2.2
111.08077	4.9
111.11646	1.1
115.05434	1.6
117.07033	1.7
119.08586	8.8
120.08950	0.9
121.06512	1.6
121.10126	4.4
123.04432	2.6
123.08108	1.0
123.11681	2.0
129.06995	5.7
131.08557	5.7
133.06519	2.0
133.10118	3.7
135.11676	1.2
137.05968	1.4
137.09654	1.5
137.13185	1.2
142.07848	1.6
145.10129	1.7
147.08070	2.9
147.11647	5.2
149.09631	4.0
157.10103	4.8
163.11179	1.0
175.11186	6.3
184.07364	4.6
193.12250	20.4
211.13385	1.3
220.43419	1.1
239.23759	2.9
249.14830	1.4
257.24734	1.8
267.15909	99.0
268.16257	5.8
299.12903	1.0
301.14407	1.2
309.16949	1.6
313.27353	100.0
314.27768	7.7
505.38846	79.8
506.39145	9.0
523.39325	1.0
547.40076	2.0
611.43219	0.8
618.05249	0.9
706.15125	1.0
752.46655	11.8
753.41754	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	754.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.5
64.36945	0.3
69.03432	0.3
71.32885	0.5
75.38479	0.3
78.04705	1.0
79.01856	0.6
79.05477	1.6
81.03421	2.0
81.03831	0.3
85.02879	1.0
85.29459	0.4
91.05482	0.8
95.04958	0.5
97.02891	0.9
103.05462	0.9
105.04596	0.3
105.07026	2.3
106.04172	0.7
107.01337	0.5
107.04957	2.4
108.53405	0.3
109.02886	1.7
118.04153	0.3
121.06462	0.4
122.03651	0.4
123.04428	4.4
124.05223	1.9
125.02378	0.8
127.03888	1.6
133.06509	2.4
137.05942	1.3
139.07536	1.2
143.03400	0.9
147.07935	0.4
149.05986	0.6
150.06657	0.4
151.03891	0.7
152.04686	1.6
153.01825	24.6
154.02193	0.8
161.05959	2.1
163.07552	0.8
165.09116	0.6
166.89108	0.3
167.07030	100.0
168.07381	4.0
171.02864	2.5
175.07579	0.5
176.14136	0.3
177.05420	0.4
181.08562	1.7
190.48680	0.3
193.08606	11.4
195.10109	1.1
207.10153	1.2
211.09647	10.5
212.09883	0.5
213.03920	0.8
213.11203	2.6
221.08051	0.4
255.05025	0.4
269.07880	0.4
279.04968	0.4
297.05994	1.8
301.10699	0.4
303.12408	0.5
315.07123	3.7
319.11823	1.5
321.13315	0.6
363.10562	0.5
375.73007	0.3
702.33459	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	0.1
53.03940	0.2
53.42442	0.1
55.01860	0.1
61.02910	0.1
64.89825	0.0
66.92772	0.1
67.05487	0.2
69.03424	0.6
69.07055	0.1
69.27828	0.5
71.04987	0.1
71.08610	0.1
79.01849	4.1
79.05485	0.1
80.02184	0.1
81.02960	0.1
81.03413	1.2
81.07045	0.7
83.04960	0.1
85.02900	0.1
87.00812	0.2
91.05471	0.1
93.07009	0.2
95.04928	0.1
95.08620	0.1
96.75539	0.1
97.02888	1.4
98.22594	0.1
99.04450	0.2
99.08070	0.1
103.05414	0.1
105.07038	0.1
107.01322	1.0
107.04928	0.1
107.08565	0.1
109.02871	1.7
109.10143	0.5
111.04424	0.1
115.05456	0.1
119.08592	0.1
121.06567	0.1
121.10126	0.2
123.00767	0.2
123.04422	0.1
123.98898	0.1
124.05173	0.1
125.02339	2.5
125.05955	0.1
127.03016	0.1
127.03914	1.4
131.04926	0.1
135.11650	0.1
137.05942	0.1
137.09572	0.1
139.07539	0.1
143.03389	5.2
144.03746	0.1
149.05963	0.2
153.01816	100.0
153.02844	4.4
154.02148	2.7
155.10648	0.6
159.04413	0.3
161.05878	0.1
163.03883	0.2
165.59660	0.1
167.03331	0.1
167.07030	2.1
171.02876	2.2
177.05444	0.2
179.03409	0.1
181.01364	0.2
181.12260	0.1
183.02873	0.1
183.13846	0.1
187.03909	0.1
189.05611	0.1
191.03407	0.1
193.08702	0.1
197.00780	0.1
205.04857	0.3
207.02950	0.1
209.08025	0.1
211.09703	0.1
215.03392	0.2
217.05009	0.2
223.02298	0.1
227.09129	0.5
233.04419	0.9
237.03943	0.2
243.02870	0.3
249.04132	0.1
253.17926	0.5
261.03925	1.2
275.19800	0.1
279.04944	0.9
297.06033	4.6
298.06339	0.3
305.02875	0.1
315.06964	0.2
335.37274	0.1
449.06989	0.4
467.08157	3.4
468.08664	0.3
785.47314	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	754.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
60.06398	1.0
65.03910	1.6
71.34125	1.3
79.05481	1.8
81.07047	1.3
85.02893	1.2
91.05468	6.6
94.04170	1.9
95.04961	2.2
103.05467	4.1
105.07004	2.9
107.04957	2.0
119.04982	4.8
121.06509	1.5
122.03645	5.5
129.06992	1.2
131.04892	6.2
131.08597	1.0
133.02792	1.6
133.06476	1.5
135.04411	4.0
137.05971	100.0
138.06299	4.4
145.06483	1.3
147.04381	3.7
147.08035	1.3
149.05951	3.3
151.03941	1.8
151.07532	18.1
153.01820	2.3
157.06509	1.4
161.05971	5.1
163.07550	13.2
165.07013	4.2
165.09065	1.7
167.07042	6.9
175.07555	5.8
177.09081	3.1
179.07024	1.1
179.08582	1.9
181.04987	1.7
187.07442	1.4
189.09128	3.6
193.06519	1.2
193.08696	1.1
195.08069	1.8
201.09113	2.1
203.10660	2.7
205.04703	2.0
209.09737	1.2
210.06679	1.4
211.07527	2.5
211.09496	1.5
219.08049	1.9
219.10103	2.4
221.05943	3.0
222.06700	1.2
223.07507	1.5
225.09094	1.8
235.07390	1.7
237.09033	1.1
240.07776	1.1
249.09105	1.1
251.07042	1.1
251.10718	1.2
253.08586	3.0
255.10094	1.8
265.08618	5.3
267.10059	1.1
268.07281	1.7
271.09723	1.7
273.11200	1.1
276.07852	1.2
277.08710	2.4
279.10007	1.7
280.10501	1.1
283.09702	5.6
285.11264	5.9
287.12762	2.9
291.10144	2.5
295.09439	1.2
297.11227	9.9
299.12775	2.6
307.09787	1.4
309.11154	3.4
311.12793	3.7
313.14322	1.3
321.11197	1.7
323.12784	2.3
337.14267	1.2
339.15848	1.3
351.15793	1.7
363.16025	1.1
369.16980	1.4
434.02191	1.1
445.16183	1.3
485.19705	1.5
491.20612	1.7
493.21930	1.5
499.21078	1.7
503.20883	1.4
517.21857	3.1
521.21802	1.3
529.22406	2.2
623.26331	2.8
641.26605	2.0
653.27148	1.6
659.28540	1.4
671.28174	1.4
691.34808	1.1
755.25775	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.7
54.81091	0.2
55.01868	0.3
57.03442	0.3
61.02927	6.1
65.03951	0.3
67.05508	0.4
69.03442	0.7
71.08636	0.2
75.04491	0.6
78.04707	1.4
79.01862	0.9
79.05491	2.2
81.03419	1.3
81.07058	1.1
83.53503	0.2
85.02923	0.7
89.03873	0.2
91.05476	1.7
93.03417	0.8
93.07046	5.1
95.04968	0.7
95.08604	0.3
96.05737	0.4
97.02898	1.6
97.06495	0.2
98.23432	0.3
99.08064	0.2
100.49818	0.2
103.05478	0.6
105.07019	1.0
106.04163	1.7
107.01337	0.4
107.04964	1.2
107.08604	0.9
109.02857	1.3
109.06542	0.4
109.10152	0.5
111.04461	0.3
111.08108	0.6
115.48535	0.2
117.07022	0.2
119.08582	0.7
120.05692	0.2
121.06528	1.3
121.10146	5.6
122.03707	0.3
122.10468	0.2
123.04434	4.1
124.05204	2.0
125.02377	0.7
125.05997	0.5
127.03912	1.5
131.04099	0.2
131.04890	1.0
131.08598	0.2
133.06482	0.4
134.03665	0.4
135.04433	0.3
137.05974	1.5
139.07539	1.8
139.11171	0.2
143.03398	1.3
145.06416	0.2
146.78676	0.2
147.04405	0.6
148.05164	0.3
149.05968	1.6
149.09631	1.3
150.06659	0.2
151.03880	1.0
151.07549	0.3
152.04672	1.3
153.01825	26.8
153.02866	1.2
153.09090	0.4
154.02150	0.8
163.07530	0.9
165.05504	0.3
165.09091	0.6
167.07033	100.0
167.10677	2.1
168.07367	3.3
171.02876	1.7
174.06673	0.2
177.05515	1.0
177.09100	0.4
179.07056	0.3
181.08626	1.0
189.09120	0.3
193.08601	1.1
195.06468	0.4
203.10643	0.2
207.10139	0.6
209.08061	3.7
211.09691	1.3
215.10622	0.4
225.11201	0.3
227.09135	22.1
228.09467	0.9
229.12198	0.2
233.04567	0.2
239.08955	0.3
271.09656	0.4
293.13727	0.4
297.06042	1.3
311.14700	0.9
329.16235	0.2
391.17456	0.3
428.57739	0.2
467.08252	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.6
55.01862	2.1
55.05509	1.3
57.03429	2.7
60.15625	0.9
65.03929	1.5
67.05495	4.1
68.36470	0.9
69.03424	4.7
75.04482	2.5
77.03949	0.9
79.05489	13.2
81.03421	6.2
81.07059	3.7
83.04977	1.5
85.02889	3.6
88.81355	1.1
91.05483	13.4
93.07041	29.6
93.12029	1.0
94.07360	1.5
95.04952	5.4
95.08596	3.6
97.02895	3.6
97.06516	2.2
99.04418	1.4
103.05468	16.5
104.06270	1.4
105.06344	2.0
105.07021	29.4
106.07362	1.8
107.04971	5.3
107.08591	5.7
108.05728	2.0
109.02892	3.6
109.06496	3.9
109.10152	5.0
111.04483	1.2
111.08034	1.2
115.05473	3.3
117.07016	1.1
118.04153	7.9
119.04945	5.3
119.08581	5.0
121.06541	6.6
121.10141	29.6
122.07283	2.5
123.04408	3.8
123.08092	2.4
123.11738	1.3
124.05214	2.1
125.05971	1.9
127.03910	3.0
131.04924	35.0
131.08575	1.4
133.02875	1.3
133.06479	28.8
133.07494	1.7
133.10135	1.1
134.07309	1.5
135.04408	3.4
135.08034	6.1
137.05969	19.1
137.09633	1.7
139.03853	1.8
141.06926	1.7
147.04410	4.0
148.05196	1.8
149.05989	6.4
149.09613	10.9
150.06773	15.9
151.03867	2.9
151.07526	8.8
152.08315	1.6
153.01796	6.7
159.11694	1.0
161.05946	7.9
162.06512	1.4
163.07535	42.4
163.11151	1.4
164.07933	2.1
165.05496	2.0
165.09113	20.8
167.03410	1.0
167.07028	25.5
167.10645	7.2
168.07375	1.5
169.08548	1.9
175.07536	5.9
177.05467	2.0
177.09062	1.1
178.06204	2.6
178.07671	1.1
179.06999	8.1
181.06534	1.2
181.06810	1.5
181.08566	15.1
183.08051	1.4
187.07571	1.9
189.09129	1.6
191.07080	1.6
191.10732	1.2
193.08594	76.2
194.08980	2.7
195.10138	2.6
201.09126	2.9
203.06998	2.3
207.10089	2.0
209.11664	3.5
211.09637	100.0
212.09958	4.2
213.11211	2.8
215.07089	1.4
215.10698	3.5
223.09584	1.1
225.09128	1.1
227.09036	2.0
227.12744	1.8
233.08052	1.5
235.07507	1.5
239.10526	1.6
241.08363	1.1
241.12105	1.7
253.08432	1.3
257.08032	1.7
267.10242	1.5
269.15430	2.7
274.42093	1.2
277.78146	1.0
281.15234	1.1
285.11179	4.6
295.13116	1.2
297.14908	6.3
303.11951	1.2
311.14999	2.7
327.15817	1.6
341.13638	2.8
361.53323	1.1
441.18893	3.1
459.20145	2.3
627.15802	1.1
674.71820	1.3
754.37988	8.0
755.37378	3.9
755.49512	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.7
55.01865	3.3
55.05515	1.6
57.03432	3.7
65.03939	1.1
67.05511	3.2
69.03442	5.7
69.03763	7.7
69.04182	2.4
75.04476	3.5
77.03945	1.4
79.05498	14.1
81.03402	5.9
81.07049	3.8
83.04974	1.4
85.02893	2.7
85.06532	1.1
91.05475	13.9
93.07049	29.9
94.07354	1.0
95.04955	5.3
95.08605	4.2
97.02895	3.6
97.06521	1.7
99.04430	1.0
103.05469	15.8
105.04544	1.5
105.07031	34.9
106.07330	1.0
107.04958	7.9
107.08579	5.4
108.05732	1.5
108.99230	1.0
109.02903	1.9
109.06526	3.9
109.10154	4.1
111.04443	1.3
111.08113	2.3
115.05460	3.7
117.07036	2.2
118.04160	8.0
119.04982	5.0
119.08577	5.3
120.05747	1.5
121.06503	6.8
121.10145	26.6
122.07291	2.5
123.04407	3.1
123.08076	4.9
124.05233	2.9
125.05993	2.2
127.03925	2.5
129.07001	2.3
131.04927	37.9
131.08592	2.2
132.49728	1.1
133.02879	1.3
133.06493	30.1
134.07275	1.2
135.04419	3.4
135.08051	6.9
137.05977	19.3
137.09631	1.9
138.06378	1.1
143.08597	2.0
145.04881	1.1
145.10130	1.9
145.12392	1.0
146.03673	1.2
147.04390	4.9
148.05168	1.6
149.05981	7.1
149.09627	8.2
150.06766	17.5
151.03894	2.9
151.07547	12.3
153.01863	9.2
155.07086	1.0
161.05995	9.5
161.09680	1.2
163.07542	35.9
163.11247	1.8
164.08040	1.2
165.05475	1.5
165.09113	22.4
167.07054	24.6
167.08478	1.8
167.10631	7.2
169.06482	1.0
169.08568	2.0
173.09634	1.4
175.07544	4.4
177.05408	1.7
178.06245	2.9
179.07004	7.4
181.08577	11.6
183.08118	1.6
185.13535	1.1
187.07565	3.3
189.09154	1.5
191.07008	1.2
191.10661	1.3
193.08604	78.2
194.09013	3.4
195.10121	2.1
201.05389	1.5
201.09126	3.7
203.07095	2.6
203.10754	1.1
207.10228	1.8
209.08026	1.2
209.11760	3.4
211.09651	100.0
212.09996	2.8
213.09200	1.7
213.11232	3.5
215.07065	1.8
215.10696	2.5
225.11226	1.4
227.09070	1.6
227.12740	2.2
229.08612	1.2
235.07597	1.1
239.10675	1.3
241.08739	1.3
241.12218	2.3
267.10233	1.2
269.15402	2.8
283.16876	1.0
285.11154	5.2
288.56848	1.0
293.13968	1.2
297.14734	4.8
311.15051	2.3
339.16019	1.2
341.13870	2.5
373.16544	1.6
423.18106	1.7
441.19031	1.2
459.20206	3.8
731.07654	1.0
736.67590	0.9
754.24579	1.5
754.38208	6.0
755.39124	5.3
759.87012	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	9.1
55.01866	9.3
55.05507	29.5
57.03440	13.9
57.07079	2.2
59.04976	1.7
61.02916	2.6
62.36634	1.4
65.03928	3.7
67.05502	49.3
69.03419	19.0
69.07072	13.0
69.87779	1.5
70.64918	3.2
71.01346	3.1
71.04991	11.9
73.02905	3.1
75.92377	1.3
79.05488	44.7
81.03413	100.0
81.07055	43.8
82.03760	1.5
83.01354	1.3
83.04977	23.5
83.08172	2.4
83.08618	22.2
85.02901	23.0
85.06535	5.4
86.09724	3.7
87.04462	2.4
91.05474	41.9
92.05773	1.4
93.07042	32.4
94.07835	1.9
95.04967	39.7
95.08598	15.7
97.02890	19.4
97.06528	12.1
97.07076	2.0
97.10166	13.3
98.03674	10.2
98.07323	2.8
99.04436	4.4
99.08073	4.2
105.07032	31.7
107.04945	22.4
107.08582	19.5
109.02872	9.3
109.06517	6.9
109.10151	24.0
110.07304	6.0
111.04446	10.0
111.08085	10.7
113.05997	4.3
115.05436	2.3
116.04719	2.0
117.07032	8.7
119.04939	2.4
119.08582	22.5
121.06470	6.9
121.10139	18.0
123.04423	9.6
123.08074	7.7
123.11688	4.2
125.05991	4.0
125.09621	14.2
127.03893	9.2
127.11182	1.5
129.05463	5.7
129.06969	10.6
131.04895	2.8
131.08557	15.9
133.06471	5.5
133.10117	15.2
135.04414	2.8
135.08046	4.9
135.11710	9.7
137.05951	5.1
137.09598	6.3
142.07773	2.8
143.08597	2.8
145.06454	2.1
145.10146	9.2
147.04417	3.5
147.08035	5.1
147.11678	18.0
148.11920	1.5
149.05920	2.5
149.09613	8.7
151.03879	4.3
151.07513	2.1
151.11133	2.3
153.01810	5.5
153.05481	2.8
153.09061	3.2
153.12730	3.8
155.08557	2.8
155.10661	2.9
157.08740	2.5
157.10115	12.8
159.08148	2.1
159.11693	2.4
161.05978	1.9
163.07513	3.1
163.11174	13.8
165.09132	2.8
165.12711	3.9
167.07097	3.0
169.10071	2.9
171.08034	1.5
173.04443	17.8
173.09618	4.5
173.11760	7.3
175.11165	12.5
181.12215	3.8
187.11272	1.9
189.09146	2.1
189.11220	4.0
191.10635	8.2
193.12234	40.8
199.05983	4.9
199.13333	4.0
209.11679	10.8
211.13274	43.2
212.13773	1.6
224.14104	3.2
227.12727	16.4
229.14377	7.6
255.15884	2.0
265.14343	2.4
267.15894	33.6
268.16190	2.7
283.15387	10.5
284.16095	1.7
285.16925	25.3
301.16544	3.1
315.18005	6.3
353.15710	2.0
411.20135	2.4
421.25784	6.1
427.19720	2.1
431.24075	7.1
439.26895	30.9
440.27246	2.8
445.20563	2.9
457.25668	2.1
459.27524	2.2
475.26868	7.0
476.27579	3.9
477.28317	2.4
493.28030	10.3
494.28336	3.5
507.29675	9.3
508.29932	2.7
511.29175	9.1
621.32556	2.2
637.32751	2.1
639.33301	4.0
655.32831	3.6
706.59821	1.7
754.30481	3.1
754.44366	2.9
755.26129	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.4
55.01867	6.4
55.05511	35.0
57.03436	18.1
57.07072	7.4
59.04993	1.8
60.08131	1.0
61.02922	5.6
65.03940	3.9
67.05502	100.0
68.05826	1.3
68.94643	0.9
69.03425	7.7
69.07065	21.0
71.04985	5.6
71.07363	1.0
71.08627	4.6
73.02914	2.1
77.03876	1.0
79.05489	65.1
81.03411	14.0
81.07055	74.7
82.07388	2.6
83.04973	9.5
83.08614	18.9
85.02908	12.1
85.06544	4.6
85.10196	1.3
86.09709	4.0
87.04450	2.3
88.63874	1.2
91.03962	2.6
91.05476	37.9
92.05814	1.5
93.07043	63.9
94.07376	2.9
95.04972	21.1
95.08604	48.1
96.08955	1.5
97.02881	5.8
97.06549	5.1
97.10168	16.2
99.04419	1.4
99.08083	2.0
103.05451	1.7
105.04504	2.8
105.07027	21.6
107.04948	9.1
107.08587	33.1
109.02843	1.3
109.06517	4.8
109.10152	34.2
110.10522	1.2
111.08082	5.7
115.05483	1.5
117.07008	16.7
119.08581	16.1
121.06475	5.1
121.10141	24.8
123.08066	3.4
123.11716	5.6
125.00039	3.8
125.09630	12.6
127.03951	1.8
129.06967	4.6
131.08565	19.1
133.06528	1.2
133.10141	14.6
135.08060	3.9
135.11679	13.9
137.09624	2.2
137.13310	1.5
139.11140	1.4
141.06927	2.0
143.08540	3.5
145.06479	1.2
145.10123	11.6
147.11702	6.0
149.09612	2.3
149.13277	8.1
151.11279	1.2
153.09109	1.5
155.10664	1.8
157.10143	1.4
159.11693	12.3
161.09589	1.1
161.13255	3.6
163.14798	2.7
167.10576	1.2
169.10066	3.9
171.11630	2.1
173.11728	5.0
173.13263	6.7
175.11072	1.3
175.14778	2.4
177.12770	4.2
177.16368	1.3
184.07329	15.5
185.13295	2.9
187.11188	3.0
187.14789	2.5
189.11230	10.4
197.13252	1.3
199.13271	1.5
205.12233	3.3
223.13284	46.2
224.13567	1.9
224.52126	1.2
227.12724	8.6
229.14325	16.2
243.21109	3.9
259.20547	1.4
261.22159	15.0
262.22394	1.2
279.15912	1.3
283.06482	1.1
283.15338	2.0
297.16949	72.0
298.17310	4.7
301.16473	2.9
313.27393	10.1
317.24759	2.0
329.24911	2.4
333.24323	1.3
335.25784	81.7
336.26135	8.4
381.28049	1.0
403.28354	1.2
428.04675	1.2
447.32416	1.2
455.36951	1.8
465.33643	2.6
467.37524	2.4
483.34814	2.1
489.35770	17.2
490.35742	2.8
502.85825	1.2
529.38672	1.6
539.37726	5.5
557.38306	47.0
558.38910	8.1
575.39117	1.8
672.15021	1.3
754.44202	2.3
755.45129	9.7
782.21277	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.6
55.01864	0.5
55.05504	1.3
57.03438	0.8
62.48339	0.4
67.05505	3.1
68.05865	0.4
69.03423	0.4
69.04832	2.4
69.05257	1.6
69.07061	1.3
71.01399	0.4
71.04984	0.7
79.05489	2.3
81.03428	1.2
81.07044	2.8
83.04979	0.7
83.08614	0.5
85.02912	0.5
86.09724	0.7
87.81405	0.4
90.20657	0.4
91.05469	2.0
93.07037	2.5
95.04960	0.7
95.08611	1.6
97.02888	0.5
97.06557	0.8
97.10179	0.6
98.22584	0.6
102.62121	0.4
105.07041	1.4
107.08614	1.1
109.10165	1.3
111.00555	0.6
111.08125	0.5
117.06998	0.4
119.08581	0.7
121.06531	0.5
121.10144	0.9
123.04421	0.4
123.11691	0.4
125.09656	1.1
131.04958	0.4
131.08588	1.1
133.10133	0.8
135.11726	0.9
137.06023	2.0
139.03799	0.5
145.10143	0.9
147.08041	0.4
147.11682	0.6
149.09682	0.4
149.13255	0.4
151.03906	0.4
151.07564	0.6
153.01793	0.9
154.57967	0.4
157.10112	0.4
159.08052	0.5
159.11658	0.7
163.11208	0.4
167.06902	0.3
169.04727	1.3
169.10118	0.5
207.09996	0.4
225.09653	0.4
227.12936	0.5
229.14369	0.8
267.12027	3.0
269.17569	1.0
291.08777	0.5
301.16354	0.5
309.13220	0.9
343.11606	0.7
351.14160	0.4
352.12399	0.6
397.25986	0.5
403.52429	0.4
411.16196	3.6
495.29382	0.7
511.19644	0.9
535.21674	0.7
693.32452	3.2
695.30542	1.0
755.32361	100.0
756.32745	18.4
779.23981	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.3
55.01868	0.9
55.05508	5.5
56.05852	0.6
57.03433	3.7
57.07070	3.4
59.05005	0.9
61.02919	5.1
63.15308	0.5
65.03934	0.6
67.05500	10.1
68.05871	0.5
69.03429	4.8
69.07062	5.0
69.65266	0.5
71.01357	1.0
71.05001	2.3
71.08630	2.6
73.02910	4.4
74.71512	0.5
77.01265	0.6
79.05484	6.8
80.05845	0.8
81.03413	5.0
81.07056	8.1
83.04981	1.6
83.08604	4.6
84.08991	0.7
85.02898	6.2
85.06551	0.6
85.10184	1.1
86.09705	1.3
86.54869	0.6
87.04462	1.3
91.03976	3.0
91.05471	5.9
93.07043	5.5
95.04971	2.1
95.08598	7.9
97.02893	7.4
97.06546	1.5
97.10187	2.4
99.04439	1.5
101.02415	2.4
103.03967	0.9
105.07016	2.8
107.04946	0.9
107.08593	3.8
109.02899	1.4
109.06542	1.0
109.10155	4.2
110.10475	1.2
111.08080	0.8
115.05472	0.8
117.07022	1.0
119.08566	2.9
121.10151	4.5
123.11745	1.5
125.00022	1.0
125.09641	1.6
127.03912	1.2
129.07025	0.9
131.08597	1.6
133.10147	1.7
135.08116	0.6
135.11720	2.1
137.06041	0.6
137.09601	1.1
139.11197	1.0
139.38028	0.5
145.10188	0.8
147.11708	2.6
149.09592	2.7
149.13301	1.0
151.07529	1.3
156.36847	0.7
157.10170	1.0
161.06023	1.3
163.11237	0.8
173.11801	0.9
184.07332	6.6
185.04292	0.8
193.12315	1.7
199.13297	0.9
203.05334	0.9
209.11893	0.6
225.15083	0.8
229.14433	2.0
230.14746	1.0
233.11450	0.7
243.08444	2.7
267.16040	1.1
283.15179	5.6
299.12851	1.9
301.16702	1.0
311.25745	1.0
313.27429	4.2
314.27692	4.0
335.25720	0.7
339.17853	0.9
468.37842	1.5
469.20923	0.8
495.29285	6.3
496.29694	1.0
501.23044	12.9
502.23364	1.2
681.57953	0.7
755.45422	100.0
756.45703	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	756.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.4
55.01870	15.9
55.05509	38.4
55.99511	1.6
57.03436	23.9
57.07078	3.2
57.71260	1.3
59.05001	44.5
61.02934	7.0
65.03933	4.0
67.01908	1.6
67.05502	100.0
69.03429	11.8
69.07073	8.8
71.04995	12.9
73.02922	5.7
77.26921	1.5
79.05488	33.9
79.43372	2.0
81.03420	22.7
81.07053	40.4
81.07502	2.8
82.03745	1.7
82.04201	4.4
82.07394	2.1
83.01363	1.5
83.04980	16.4
83.08619	18.9
84.02113	1.4
84.05305	1.4
85.02908	9.4
85.06544	5.0
86.09689	1.6
87.04466	49.0
91.03976	2.1
91.05476	22.5
93.07042	26.1
93.76723	1.4
95.04968	15.3
95.08601	14.9
97.02882	10.9
97.06517	9.8
97.10169	24.6
98.07324	3.0
99.04456	12.4
99.08101	1.9
101.06009	1.5
103.03922	2.3
103.05439	1.6
105.07024	14.6
107.04954	11.9
107.08588	19.9
109.02872	3.4
109.06521	3.5
109.10155	72.2
110.10499	2.4
111.04446	5.8
111.08070	9.9
113.06010	1.7
116.04716	7.8
117.05495	1.9
117.07031	6.4
119.08578	17.0
121.06485	4.4
121.10112	10.1
123.04440	2.5
123.08051	7.0
123.11700	2.2
125.06004	2.8
125.09628	25.7
127.03894	1.9
127.07591	1.5
127.11221	4.5
129.05472	21.6
129.06958	2.0
131.04988	1.8
131.08563	8.1
133.06572	1.7
133.10161	10.2
135.04460	1.9
135.08057	3.8
135.11681	10.2
135.66028	1.6
137.05957	4.1
137.09637	6.6
139.07556	1.7
139.11197	1.8
143.07007	4.5
143.10686	3.2
145.06464	1.7
145.10127	6.0
147.08054	2.6
147.11702	5.2
149.09627	3.6
149.13274	2.1
151.03886	3.6
151.11235	1.7
153.01823	2.4
153.12718	4.2
155.08553	2.0
155.10690	6.9
157.08647	10.1
157.10052	3.2
159.07982	2.2
161.05940	1.9
161.09709	1.5
163.11169	13.8
164.11852	1.8
167.07082	2.6
167.58006	1.5
171.06506	2.4
171.10175	5.0
173.09563	3.4
173.10204	2.1
173.11743	27.1
175.11198	5.1
181.04948	2.5
181.12199	3.5
185.11832	1.5
189.09505	1.5
189.11221	6.3
191.10699	4.4
192.11244	1.7
192.68326	1.5
193.12265	6.8
199.09727	2.5
199.13245	16.7
200.14038	3.6
209.11707	13.4
210.12477	1.8
211.13271	3.0
217.14264	2.5
223.13431	1.8
227.12721	13.1
229.14325	56.1
230.14767	2.5
241.14418	3.3
255.15984	4.1
267.15979	10.9
268.16489	2.4
269.17584	1.8
283.15393	15.0
284.16034	2.0
287.18576	2.1
301.16437	36.5
302.16913	4.0
315.18115	4.3
326.24496	2.9
383.24158	2.2
421.25769	4.6
432.24374	4.4
437.25275	5.9
438.26080	5.9
443.25507	1.9
455.26355	32.0
456.26538	3.0
495.29504	2.8
496.28867	1.6
541.29785	11.2
542.29773	1.7
559.30872	7.9
756.44965	2.0
757.31909	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	756.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.0
55.01872	20.5
55.05510	50.0
56.05838	0.9
57.03437	33.4
57.07072	4.1
59.04702	2.4
59.05001	45.9
61.02925	5.7
65.03940	4.3
67.05505	100.0
68.05834	1.6
69.03420	10.9
69.07068	15.1
69.76517	4.1
71.01356	4.1
71.04991	15.7
73.02920	7.2
75.04516	1.0
76.91808	1.2
77.03917	1.1
79.05491	41.6
81.03423	21.7
81.07055	45.2
82.04202	4.2
82.07408	1.2
83.01338	1.5
83.04980	18.5
83.08617	21.1
84.02132	1.1
84.05774	1.4
85.02912	11.0
85.06543	6.0
86.47396	0.9
87.04466	57.6
88.04779	1.0
91.05481	29.1
93.07047	24.5
95.04961	18.6
95.08593	14.9
97.02896	10.2
97.06538	10.7
97.10165	32.2
98.07307	5.3
98.10532	1.4
99.04458	18.3
99.08126	1.5
101.06017	2.5
103.03947	1.7
105.04523	1.3
105.07030	11.9
107.04992	7.5
107.08597	21.1
107.09267	1.8
109.02894	2.0
109.06503	4.8
109.10152	68.6
110.10527	1.8
111.04449	5.1
111.08074	8.5
113.12137	1.0
115.03967	2.3
115.05419	2.2
116.04713	13.0
117.07011	5.2
119.08578	15.6
121.06510	3.6
121.10133	8.1
123.08084	5.8
123.11708	1.5
124.80465	0.9
125.05977	1.8
125.08708	2.1
125.09625	32.5
127.03960	1.8
127.11222	2.1
128.06125	0.9
129.05473	32.3
129.06889	4.9
131.08554	9.0
133.06509	1.3
133.10117	7.5
135.08060	5.8
135.11697	10.2
137.05911	1.3
137.09621	5.8
139.11218	1.0
142.07750	1.3
143.07036	7.9
143.10680	2.7
145.06485	1.2
145.10092	8.6
147.08052	2.9
147.11708	5.4
149.09633	3.6
151.03906	1.8
153.09100	2.4
153.12788	4.4
155.08588	2.1
155.10652	6.5
157.08618	13.7
157.10118	3.6
158.05768	1.5
163.11182	12.8
164.11983	1.4
165.12778	1.7
167.07085	1.2
167.10643	1.2
171.06546	3.3
171.10208	5.7
171.11540	1.1
173.04494	1.1
173.09653	2.5
173.11734	24.4
174.12105	1.1
175.11174	2.1
181.08568	1.1
181.12189	2.5
185.08133	1.4
185.11620	1.6
189.09567	1.6
189.11188	8.8
191.10643	4.9
192.11557	1.0
193.12242	7.6
199.09668	3.7
199.13298	17.3
200.13918	5.8
201.14789	1.4
209.11725	14.3
210.12305	2.0
211.13330	4.4
213.11247	1.7
217.14380	2.4
223.13249	1.7
227.12775	16.7
228.13339	1.7
229.14339	64.0
230.14726	2.6
241.14366	4.2
242.15028	1.8
255.15796	4.4
257.13754	1.9
266.15488	1.0
267.15884	8.4
269.17462	3.3
271.15271	1.7
283.15417	11.7
283.19022	3.1
284.16049	2.1
285.16959	2.1
287.18594	1.5
301.16440	43.9
302.16782	2.8
311.18555	1.9
311.21960	1.7
315.18066	4.6
326.24561	3.0
329.16003	1.2
333.19241	1.6
353.23242	1.0
369.22372	1.7
383.24207	3.0
405.41556	0.8
409.25848	1.2
421.25909	3.7
425.25302	2.4
437.25266	2.6
438.20560	1.2
438.25732	5.7
439.26883	1.2
443.26251	3.2
455.26334	39.7
456.26587	3.2
495.29391	1.4
496.54129	1.0
509.26834	1.0
541.29968	16.4
542.30255	2.3
559.31439	9.5
716.85815	1.1
756.32477	2.0
757.36188	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.0
55.05511	18.1
57.03435	9.6
59.04990	1.6
65.03947	1.1
67.05158	1.6
67.05503	24.1
67.15326	0.9
69.03426	4.1
69.07053	5.7
69.57772	5.5
71.04993	3.8
71.15533	0.9
73.22395	0.9
79.05493	26.8
81.03418	52.1
81.06574	1.1
81.07055	22.9
82.03757	1.7
83.04980	5.2
83.08618	19.4
85.02906	1.0
85.06537	1.9
91.05474	19.4
93.07042	19.4
95.04411	2.0
95.04970	23.3
95.08607	9.1
97.02902	2.1
97.06529	3.2
97.10178	16.9
98.10498	1.0
105.07018	13.3
107.04951	20.9
107.08598	12.7
109.06500	9.3
109.10172	4.8
111.04428	1.4
111.08071	7.3
115.05465	1.6
117.07012	6.4
119.04965	1.4
119.08587	12.4
121.06498	11.8
121.10144	11.2
123.04448	1.7
123.08054	5.2
125.09618	13.8
129.07010	9.4
131.04936	2.4
131.08566	12.0
133.06500	5.2
133.10120	5.1
135.08041	4.7
135.11728	2.4
137.05978	2.3
137.09575	1.9
142.07773	1.5
143.08556	4.3
145.06493	7.9
145.10139	4.6
147.04385	1.3
147.08047	5.1
147.11676	7.2
149.09575	5.0
153.09138	3.4
155.08575	2.0
157.06462	1.6
157.10123	6.8
159.08066	2.8
159.11707	2.0
161.05986	2.0
161.09634	2.4
163.11220	3.9
165.12721	1.1
169.10068	1.8
171.08051	2.8
171.10266	1.1
171.11714	2.9
173.09628	1.6
173.13266	1.5
175.11148	7.1
181.10162	1.1
181.12227	1.0
183.11681	1.4
185.09564	1.6
187.11172	1.6
189.09634	0.8
189.11212	6.8
189.12756	2.0
193.12244	16.5
194.12595	1.1
195.11682	1.7
197.09688	1.2
199.11198	2.8
201.12799	1.1
203.14418	1.0
205.12288	2.3
211.11159	1.0
211.13148	2.2
213.12782	2.4
215.14235	2.6
217.12318	1.7
219.13818	3.8
223.13214	1.8
227.12733	2.9
233.15384	4.4
237.12692	1.6
239.14351	1.3
249.14931	1.7
255.13878	1.5
267.15918	36.9
268.16293	3.6
271.17090	1.1
273.14767	7.4
275.16382	1.4
293.17502	1.6
296.59329	1.0
339.23087	2.7
349.21634	4.8
357.24139	2.0
367.22681	16.2
368.23029	1.4
385.23721	25.4
386.24194	1.9
403.24869	9.6
441.26303	8.2
442.26691	1.5
459.27408	100.0
460.27771	12.1
477.28473	83.5
477.33618	1.3
478.28864	11.8
491.30060	12.6
492.30264	1.7
501.28549	1.4
509.30927	5.8
543.29565	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00318	0.8
53.03947	3.3
53.48808	0.7
55.01878	5.5
55.05510	23.5
57.03433	10.0
57.07077	2.1
61.02928	1.5
63.02348	1.0
65.03927	2.4
67.05504	52.0
68.05845	1.4
69.03439	7.2
69.07069	32.5
71.04977	4.7
71.31773	1.2
73.02922	1.3
74.48433	0.8
79.05489	38.6
80.05840	1.3
81.03417	4.6
81.07056	56.1
82.07431	1.1
83.04982	7.6
83.08617	15.9
85.02906	1.4
85.06546	3.2
86.09703	1.1
91.05474	26.0
92.05797	0.9
93.07043	44.0
94.07378	1.5
95.04971	9.8
95.08604	18.9
95.18664	0.9
97.02897	8.9
97.06523	8.6
97.10178	11.2
99.04467	2.0
99.08096	2.6
105.07030	14.6
107.04961	7.8
107.08594	29.4
109.06547	3.4
109.10136	9.8
111.08091	4.3
115.05448	1.5
117.06999	11.6
119.04906	1.1
119.08577	10.2
121.06519	4.5
121.10137	14.8
123.08078	3.0
123.11723	1.4
125.09630	9.0
128.06224	0.9
128.95483	0.8
129.07021	3.6
130.07780	0.9
131.08559	12.3
133.06506	3.8
133.10123	9.6
135.08060	5.1
135.11691	7.6
137.09653	2.1
139.11163	1.5
139.61501	1.0
143.08571	3.6
145.06433	1.0
145.10086	6.2
147.08051	5.8
147.11674	4.7
149.09653	2.3
149.13254	19.8
151.11197	1.1
154.15970	1.2
157.10153	2.7
159.11676	11.6
161.09651	3.4
161.13277	1.1
162.10425	0.8
163.11189	1.9
169.10271	1.0
171.11710	2.7
175.11258	2.3
177.12733	4.9
181.10176	0.9
184.07394	1.8
185.13196	0.9
189.11269	4.7
195.13765	7.8
205.12230	2.1
213.14862	1.2
219.36913	0.9
223.13266	14.7
227.12691	5.1
227.17726	1.1
233.15675	0.9
245.19234	1.1
249.14952	3.9
251.16515	1.3
253.14262	1.9
269.17462	69.4
270.17801	4.3
272.22131	1.0
273.18512	12.2
291.19531	92.0
292.19843	6.9
347.22229	2.5
365.23209	33.3
366.23474	2.8
379.89340	0.9
439.26956	1.9
446.18213	1.0
461.28900	1.8
479.30106	3.2
541.35156	2.6
559.36261	100.0
560.36548	16.4
605.32953	0.9
632.65625	0.9
756.49011	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	756.4525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	3.3
53.03947	5.3
55.01868	3.1
55.05269	1.8
55.05513	27.3
57.03437	17.8
57.07082	2.0
57.45763	0.8
59.04991	2.9
61.02929	6.4
65.03929	4.0
67.05505	66.5
68.05833	1.9
69.03420	2.4
69.06719	1.1
69.07071	15.0
69.33801	5.7
71.01333	1.4
71.04993	4.2
73.02912	2.7
75.03265	0.8
79.05492	44.1
80.05866	1.2
81.03426	5.8
81.07057	64.9
81.30154	1.0
82.07379	2.8
83.04974	4.9
83.08622	17.9
85.02917	4.7
85.06535	3.2
86.09705	1.8
91.03930	1.4
91.05479	41.9
91.06053	2.1
93.07043	57.9
94.07356	2.0
95.04967	9.4
95.08604	46.2
96.08961	1.2
97.02900	7.4
97.06541	6.8
97.10151	3.7
99.00821	21.0
99.04444	1.6
99.08106	2.2
103.05488	2.0
105.04515	1.9
105.07030	32.2
106.07343	1.4
107.04958	6.9
107.08596	28.5
108.08946	0.9
109.02879	10.7
109.06517	3.4
109.10155	24.6
110.37239	0.9
111.04425	2.3
111.08060	5.3
113.05984	1.1
115.03925	3.1
117.07017	8.7
119.08579	23.2
121.06496	7.5
121.10144	22.0
123.04417	2.4
123.08034	2.1
123.11713	9.0
125.09618	1.7
127.03925	3.2
128.06238	1.3
129.07005	2.1
131.08569	12.7
133.06444	1.8
133.10130	51.3
134.10507	1.8
135.08058	1.7
135.11700	13.5
137.05940	1.6
137.09633	2.9
137.13231	1.5
139.07538	3.9
139.11221	1.0
143.08601	5.6
145.06471	1.4
145.10117	7.5
147.07997	2.1
147.11678	6.5
149.09654	2.0
149.13243	7.8
151.11171	13.2
159.11668	5.8
161.09619	23.3
161.13258	7.0
163.11229	2.4
163.14824	3.9
169.10129	1.0
171.08032	3.7
171.11740	1.3
173.13254	5.1
175.14862	1.5
177.16402	1.5
179.10667	10.7
184.07355	3.7
185.13237	1.2
187.14792	3.1
189.09102	9.8
197.11740	3.5
201.16327	1.0
207.10150	3.5
225.11183	15.2
225.13179	1.1
243.12306	3.7
243.21156	5.3
261.22137	19.8
262.22427	1.4
277.21640	2.5
279.23367	1.1
281.13873	3.3
287.23883	0.9
299.14893	88.6
300.15302	5.5
313.83719	0.9
315.23123	2.9
317.24707	2.8
335.25800	100.0
336.26138	9.3
405.30356	0.9
421.30960	1.8
439.31940	1.1
449.30344	2.9
467.31812	4.6
485.32339	1.9
513.35760	2.4
531.36749	2.1
541.35126	8.3
542.35461	1.2
559.36273	49.6
560.36304	5.9
577.36987	1.1
667.40137	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	3.3
53.03947	5.3
55.01868	3.1
55.05269	1.8
55.05513	27.3
57.03437	17.8
57.07082	2.0
57.45763	0.8
59.04991	2.9
61.02929	6.4
65.03929	4.0
67.05505	66.5
68.05833	1.9
69.03420	2.4
69.06719	1.1
69.07071	15.0
69.33801	5.7
71.01333	1.4
71.04993	4.2
73.02912	2.7
75.03265	0.8
79.05492	44.1
80.05866	1.2
81.03426	5.8
81.07057	64.9
81.30154	1.0
82.07379	2.8
83.04974	4.9
83.08622	17.9
85.02917	4.7
85.06535	3.2
86.09705	1.8
91.03930	1.4
91.05479	41.9
91.06053	2.1
93.07043	57.9
94.07356	2.0
95.04967	9.4
95.08604	46.2
96.08961	1.2
97.02900	7.4
97.06541	6.8
97.10151	3.7
99.00821	21.0
99.04444	1.6
99.08106	2.2
103.05488	2.0
105.04515	1.9
105.07030	32.2
106.07343	1.4
107.04958	6.9
107.08596	28.5
108.08946	0.9
109.02879	10.7
109.06517	3.4
109.10155	24.6
110.37239	0.9
111.04425	2.3
111.08060	5.3
113.05984	1.1
115.03925	3.1
117.07017	8.7
119.08579	23.2
121.06496	7.5
121.10144	22.0
123.04417	2.4
123.08034	2.1
123.11713	9.0
125.09618	1.7
127.03925	3.2
128.06238	1.3
129.07005	2.1
131.08569	12.7
133.06444	1.8
133.10130	51.3
134.10507	1.8
135.08058	1.7
135.11700	13.5
137.05940	1.6
137.09633	2.9
137.13231	1.5
139.07538	3.9
139.11221	1.0
143.08601	5.6
145.06471	1.4
145.10117	7.5
147.07997	2.1
147.11678	6.5
149.09654	2.0
149.13243	7.8
151.11171	13.2
159.11668	5.8
161.09619	23.3
161.13258	7.0
163.11229	2.4
163.14824	3.9
169.10129	1.0
171.08032	3.7
171.11740	1.3
173.13254	5.1
175.14862	1.5
177.16402	1.5
179.10667	10.7
184.07355	3.7
185.13237	1.2
187.14792	3.1
189.09102	9.8
197.11740	3.5
201.16327	1.0
207.10150	3.5
225.11183	15.2
225.13179	1.1
243.12306	3.7
243.21156	5.3
261.22137	19.8
262.22427	1.4
277.21640	2.5
279.23367	1.1
281.13873	3.3
287.23883	0.9
299.14893	88.6
300.15302	5.5
313.83719	0.9
315.23123	2.9
317.24707	2.8
335.25800	100.0
336.26138	9.3
405.30356	0.9
421.30960	1.8
439.31940	1.1
449.30344	2.9
467.31812	4.6
485.32339	1.9
513.35760	2.4
531.36749	2.1
541.35126	8.3
542.35461	1.2
559.36273	49.6
560.36304	5.9
577.36987	1.1
667.40137	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.8
55.01878	17.1
55.05510	24.7
57.03434	14.9
57.07089	3.2
61.02919	2.8
64.78060	2.4
65.03922	4.0
67.05504	52.9
69.03429	3.6
69.07066	34.6
69.22361	8.1
69.22771	11.6
71.04985	5.1
72.70208	2.3
79.05499	41.0
81.03425	43.5
81.07059	64.5
82.03761	2.7
83.04980	16.2
83.08625	17.5
85.02899	18.0
85.06538	3.0
86.09705	9.8
91.05481	67.0
93.07043	40.9
95.01308	8.1
95.04961	27.5
95.08612	41.6
97.02900	3.1
97.06529	27.2
97.10163	4.8
99.08099	2.8
99.92605	2.3
103.05470	3.0
105.07033	83.7
106.07383	3.2
107.04972	18.5
107.08592	20.4
109.06516	8.4
109.10154	12.6
111.08085	9.7
113.06004	3.1
115.05474	3.1
117.07033	14.5
119.08582	49.7
120.08124	3.4
121.06515	6.1
121.10145	15.0
123.04419	3.3
123.08072	5.3
123.11692	6.4
125.09618	3.2
128.06294	3.9
129.06984	11.7
131.08563	30.0
133.10136	46.2
135.08081	5.7
135.11726	11.1
136.18187	2.6
137.05984	2.4
137.09651	4.4
142.07841	3.3
143.08516	3.7
145.06500	2.7
145.10127	19.7
147.08080	4.7
147.11711	22.8
149.09624	9.1
149.13264	5.6
152.22797	2.6
157.10127	13.3
158.10515	2.7
159.11703	13.8
160.12035	2.9
161.09550	3.0
161.13263	7.2
163.07411	3.1
163.11177	5.0
169.10072	3.7
173.13268	3.4
175.03629	17.2
175.11192	9.6
179.14325	9.4
185.13168	3.3
187.11208	2.9
193.12221	23.9
203.06810	3.6
205.04765	2.8
211.13290	26.0
227.12807	4.6
239.17795	3.0
257.19019	7.6
267.15915	35.9
275.20068	71.5
276.20395	5.9
285.16953	65.8
286.17267	4.3
293.21136	4.7
295.87195	3.0
333.24347	4.2
349.23761	40.2
398.38599	2.4
541.35205	55.3
542.35046	3.6
559.36243	100.0
560.36444	10.7
586.28802	3.1
671.23401	2.7
756.46442	16.3
757.31824	57.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23444	0.3
63.77648	0.3
64.13301	0.3
65.73512	0.3
68.95325	0.3
70.03073	0.3
71.34035	0.3
80.16077	0.3
81.03429	0.7
81.73917	0.3
95.05003	0.3
104.68635	0.3
105.03378	5.1
106.03728	0.5
109.02847	0.7
123.04444	0.4
127.03889	0.3
136.99133	0.3
137.06012	0.4
139.03871	1.4
145.48286	0.3
147.27432	0.3
153.01822	6.7
153.02979	0.4
153.05470	0.5
154.02155	1.9
154.06226	0.3
161.06033	0.3
163.07637	0.3
167.07042	0.6
175.03856	0.4
176.04471	0.4
182.05737	0.7
185.08101	0.9
187.03748	0.4
189.05203	9.1
189.06853	0.5
190.02335	1.5
190.05698	0.4
197.08105	0.8
201.05267	0.6
202.05969	1.4
203.06735	1.5
213.02106	0.3
216.07552	3.0
217.04883	0.7
217.08330	3.7
219.06226	2.5
220.06812	0.4
231.02899	0.8
232.07062	0.5
233.07832	7.6
234.08604	16.1
235.09254	1.2
247.09389	4.6
259.02356	1.6
259.16809	0.3
260.02811	0.6
277.03397	5.7
278.03729	2.7
303.01443	0.7
304.01651	0.4
305.31024	0.3
325.10611	0.3
335.07379	4.1
345.69083	0.3
399.14078	0.5
429.15430	0.7
445.18359	4.2
471.12643	0.5
499.15732	0.6
502.14114	0.3
515.15240	5.7
515.22253	0.5
516.15521	0.5
529.16748	20.5
530.17181	2.2
545.16046	2.0
546.17261	0.3
673.56366	0.3
727.24902	0.5
730.75049	0.3
757.26648	100.0
758.27002	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	757.4707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
54.82980	0.5
55.05510	1.4
57.03432	1.8
57.07079	3.2
59.04994	0.6
61.02927	5.0
61.99203	0.5
67.05511	4.0
69.03423	3.5
69.07074	1.3
71.01380	0.5
71.05006	1.4
71.08636	1.8
71.30920	0.5
72.67355	0.5
73.02911	2.9
73.41924	0.5
78.13286	0.5
79.05492	3.0
81.03425	2.5
81.07062	5.7
83.08620	1.7
85.02894	4.6
85.06558	1.3
85.10188	1.9
86.09698	1.6
91.03967	3.7
91.05458	2.4
93.07034	2.7
95.08615	4.5
95.28012	0.4
97.02892	5.4
97.10175	0.9
99.04474	1.0
101.02395	1.9
103.03962	0.5
105.07052	1.6
106.67278	0.5
107.04965	0.5
107.08620	1.9
109.02862	0.9
109.10174	1.7
111.08166	0.7
119.08614	1.2
120.57709	0.5
121.10149	2.0
121.72922	0.5
123.11716	1.4
125.00017	1.4
127.03941	1.9
131.08578	0.9
133.10153	0.8
135.11711	0.6
137.32498	0.5
137.85797	0.5
147.11694	1.0
149.09720	0.8
157.10123	1.0
159.11867	0.7
184.07300	4.9
185.07703	0.6
189.27933	0.5
193.08646	0.7
193.12306	0.8
203.05266	0.6
211.09726	1.0
225.14948	0.7
243.08382	2.3
283.15149	5.5
313.27701	1.0
331.90543	0.4
335.25946	0.7
429.22882	0.7
497.30960	7.6
498.31015	0.8
501.23062	7.2
503.37350	0.8
529.38647	0.5
561.41858	1.0
595.42297	0.6
757.46967	100.0
758.47321	16.0
770.46710	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.8
55.01864	8.4
55.05509	43.4
57.03428	22.5
57.07060	6.0
61.02916	6.4
61.48008	3.1
65.03938	6.3
67.05503	90.6
69.03427	9.4
69.07063	31.2
69.18642	26.1
70.06569	3.2
71.04996	7.6
72.04514	8.0
73.02942	4.2
79.05489	88.5
81.03416	51.2
81.07056	100.0
83.04974	19.3
83.08617	33.9
85.02909	22.0
85.06538	6.5
86.09700	66.8
91.05474	91.2
93.07045	91.8
95.04955	23.9
95.08596	47.7
97.02897	8.8
97.06531	14.4
97.10161	22.6
99.08075	4.9
103.05466	5.2
105.07024	87.8
106.07313	3.4
107.04970	10.1
107.08592	62.2
109.06509	7.6
109.10159	23.5
111.04419	3.8
111.08092	12.6
117.06992	27.1
119.08575	55.2
120.08081	3.9
121.06518	5.9
121.10146	28.7
123.08070	7.4
123.11692	9.8
124.99968	3.6
125.09628	22.0
129.07004	22.6
131.08560	41.7
133.06503	5.0
133.10120	48.5
135.11691	19.0
137.09642	6.6
142.07732	4.0
143.08556	11.3
145.06433	3.1
145.10147	23.4
147.07982	6.1
147.11664	43.1
149.09628	14.1
149.13222	18.6
151.11218	3.9
153.19714	3.8
155.36827	3.4
157.10124	26.7
159.11676	24.9
161.13280	20.8
163.11177	8.4
165.12804	4.3
169.09984	4.3
171.11655	12.0
173.13278	11.5
175.11229	12.3
175.14806	8.6
181.10110	3.7
184.07365	21.8
185.09840	3.9
185.13251	10.5
187.14862	5.6
189.11261	8.3
193.12234	38.2
193.76299	2.9
194.12585	3.3
195.13792	8.3
197.13228	5.0
199.14928	3.8
205.04817	7.5
211.13242	40.5
211.15082	3.7
227.12756	33.6
241.19528	20.4
249.18863	4.0
255.16977	3.7
257.19034	8.1
259.20554	44.5
267.15897	16.6
269.17447	44.3
275.20007	25.5
285.16998	48.6
331.22699	4.8
333.24265	36.8
334.24396	3.8
335.25754	8.4
349.23712	19.4
368.25372	9.6
412.03879	3.9
433.30563	6.2
439.26843	18.5
451.32150	10.3
463.30234	6.7
469.32947	4.7
481.33655	11.3
525.35815	19.4
543.36749	94.0
544.37158	14.2
561.37427	9.9
596.41461	4.7
758.31787	17.1
758.45020	5.6
759.39874	38.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	6.6
55.01875	15.8
55.05510	38.0
57.03437	26.7
57.07070	4.4
61.02930	6.3
65.03933	5.8
67.05503	91.8
68.05846	1.8
69.03419	7.6
69.07065	22.1
69.26077	5.4
69.26493	2.5
71.01353	1.9
71.04999	5.3
71.08640	1.2
73.02917	5.1
79.05490	72.0
80.05821	1.6
80.06261	2.6
81.03416	19.4
81.07054	88.2
82.04205	4.1
82.07420	2.0
83.04977	14.1
83.08619	17.5
84.05750	1.1
85.02899	10.3
85.06541	4.8
87.04473	1.4
91.03951	2.0
91.05478	53.4
93.07042	71.7
94.07338	1.9
94.07856	1.3
95.04975	18.7
95.08601	57.8
96.08961	1.3
97.02907	5.6
97.06524	11.0
97.10164	17.2
98.07323	6.0
99.08075	2.8
101.06008	2.1
103.05494	1.2
105.04504	2.7
105.07028	32.1
107.04925	6.1
107.08589	41.0
109.06520	5.6
109.10151	30.8
111.04430	3.2
111.08095	6.2
115.05431	1.3
116.04705	13.5
117.07016	12.8
119.08577	27.9
121.06503	2.6
121.10137	29.3
122.10442	1.7
123.08065	6.4
123.11712	6.6
125.09642	15.5
127.07531	1.7
127.11150	2.0
128.06245	1.5
129.05486	35.3
129.06943	5.1
130.07816	1.4
131.08560	22.3
132.09265	1.2
133.06464	1.8
133.09187	1.8
133.10129	23.4
134.10524	1.2
135.08047	3.4
135.11694	19.6
137.09641	4.6
137.13152	1.3
139.11198	1.5
141.06984	1.1
142.07820	1.5
142.08949	1.2
143.07022	7.5
143.08543	2.4
145.06541	1.2
145.10115	14.1
147.08049	3.1
147.11685	15.9
149.09619	4.8
149.13239	8.7
151.11176	2.4
153.09062	1.5
155.08560	2.5
157.08604	14.4
157.10095	5.3
159.11676	8.7
161.09550	1.3
161.13242	6.7
163.11206	4.7
163.14827	4.3
165.12746	1.3
171.06456	1.2
171.10185	4.2
171.11702	2.7
173.09560	1.5
173.11804	2.0
173.13289	6.5
175.11209	4.7
175.14856	3.4
179.14244	1.2
181.12209	1.8
185.13269	2.0
187.14839	4.2
189.11259	6.4
189.12617	1.2
191.10754	1.0
191.14232	1.2
193.10617	1.7
193.12215	8.1
195.74945	1.0
199.13283	3.9
200.14165	2.4
209.11684	6.0
210.12431	2.5
211.13287	4.9
213.14682	1.4
227.12791	12.1
229.14354	3.0
239.16258	1.2
241.19524	2.0
243.21111	4.9
247.16907	1.6
249.18672	1.3
251.20337	1.4
255.15805	1.6
259.20718	2.1
261.22159	14.8
267.15854	7.1
273.22443	1.1
277.21634	3.4
283.15396	9.7
285.17029	2.3
301.16443	71.4
302.16946	4.9
315.23175	1.9
317.24799	3.1
333.24020	1.0
335.25790	100.0
336.26184	9.7
389.26837	2.5
469.33530	1.4
525.35620	2.1
527.37219	5.2
543.36652	12.8
544.37140	2.5
545.38013	1.5
547.39178	1.3
561.37787	83.9
562.38226	11.7
759.38385	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.3
55.01873	14.0
55.05270	1.8
55.05514	30.1
57.03434	25.0
57.07069	4.0
57.12746	1.1
59.04996	1.4
61.02916	4.9
65.03934	3.1
67.05504	75.0
68.05840	2.7
69.03417	4.6
69.07069	21.0
69.21793	4.8
69.22215	5.8
71.04984	5.3
73.02917	6.5
79.05489	54.7
79.05952	2.7
80.06262	1.9
81.03417	21.4
81.07058	60.9
82.04194	3.6
82.07403	1.7
83.04976	14.1
83.08622	15.3
85.02894	8.2
85.06538	4.2
91.03972	2.2
91.05482	36.7
93.07045	52.9
95.04972	14.0
95.08604	46.5
97.02889	5.0
97.06526	9.1
97.10165	14.4
98.07330	6.4
99.08109	1.3
100.61962	1.3
105.04505	1.9
105.06364	1.4
105.07034	27.2
107.04948	5.0
107.08595	31.5
107.72369	1.4
109.06515	5.1
109.10144	21.4
109.47907	1.5
111.08089	7.0
115.05464	1.5
116.04713	16.5
117.07015	10.6
119.08586	19.3
121.06496	3.0
121.10139	23.9
123.08073	3.8
123.11747	6.1
123.99391	1.3
125.09624	15.8
129.05478	37.1
129.06964	6.8
131.08557	16.1
133.10136	17.4
135.08040	4.9
135.11694	17.1
137.09613	3.4
137.13228	1.8
137.96204	1.2
143.06987	8.2
143.08644	1.5
143.10680	1.9
145.10136	15.2
146.10352	1.4
147.08075	2.0
147.11667	11.6
149.09573	3.3
149.13246	5.7
151.11186	2.6
153.09108	2.6
153.12791	1.9
154.20613	1.4
157.08592	14.6
157.10123	5.5
159.11658	6.5
161.13231	5.0
163.11171	5.4
163.14793	4.2
165.12788	2.3
171.10165	5.0
171.11685	3.2
173.11835	1.9
173.13266	4.1
175.11160	4.8
175.14795	2.7
181.12186	1.8
184.07317	1.6
185.11691	2.0
185.13237	2.1
187.14828	2.6
189.11205	9.3
193.12273	9.5
199.13263	4.2
200.14043	2.9
209.11722	1.6
210.12445	1.9
211.13268	2.5
227.12764	12.4
229.14400	2.0
243.21150	3.9
255.15897	2.2
259.20462	2.4
261.22141	10.3
267.15906	5.0
268.16257	2.8
277.21509	2.2
277.25443	1.2
280.44733	1.4
283.15363	4.5
284.15829	1.6
285.16797	2.1
301.16455	100.0
302.16797	7.0
315.23193	1.6
317.24686	1.7
335.25784	71.8
336.26236	9.5
337.26065	1.4
493.93301	1.5
527.37317	3.4
543.36694	3.1
545.37878	1.7
561.37872	39.0
562.38416	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	758.4682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.6
55.01868	8.2
55.05515	29.2
56.80422	1.6
57.03437	18.1
57.07082	4.6
59.05012	2.0
61.02926	5.9
65.03944	5.5
67.05506	98.2
68.05835	3.2
69.03437	3.6
69.07069	26.7
71.01356	3.4
71.04998	6.7
71.64736	1.4
72.25399	1.4
77.03922	1.7
79.05493	69.4
80.05831	1.6
81.03416	15.6
81.07058	89.6
82.07400	3.0
83.01356	2.1
83.04983	20.6
83.08621	14.4
83.35162	1.7
84.68021	1.5
85.02903	11.0
85.06551	4.2
91.03968	2.2
91.05483	54.8
93.07050	77.4
94.07393	2.1
95.04966	19.6
95.08610	60.2
97.02883	14.0
97.06528	11.7
97.10193	5.0
98.23367	2.5
99.04470	2.8
99.08131	3.7
101.03025	1.5
105.04527	1.7
105.07028	31.8
107.04960	14.9
107.08590	45.3
107.09252	3.2
108.08926	1.8
109.02873	3.6
109.06521	6.0
109.10162	25.7
111.04452	12.2
111.08105	6.4
111.57883	1.5
113.06078	2.0
113.09695	2.6
115.05467	2.3
117.07015	17.1
119.08583	27.2
121.06535	5.8
121.10149	31.4
123.08105	7.0
123.11729	7.2
125.06010	2.3
125.09645	3.3
127.11216	1.9
129.07019	6.4
130.07803	3.4
131.08572	21.8
133.06512	2.7
133.10135	20.3
135.08095	5.4
135.11703	30.6
137.09663	3.0
141.13307	1.6
143.08586	5.4
145.10120	28.7
147.08072	4.3
147.11708	9.3
149.09669	6.0
149.13261	7.0
151.11235	3.3
153.12724	8.7
155.08606	4.3
157.10172	2.3
159.08034	1.6
159.11694	11.2
161.09618	2.3
161.13301	6.1
163.09846	1.4
163.11176	28.7
163.14912	1.7
164.11484	2.0
167.10780	1.6
169.10156	2.2
171.11739	3.3
173.09627	8.6
173.13313	5.9
175.14827	2.1
181.10216	1.8
181.12279	9.5
183.11771	2.4
185.13289	2.4
187.14842	3.3
189.11314	1.8
191.10675	12.1
193.12195	2.1
195.11786	1.7
199.14902	3.3
209.11720	33.1
227.12749	15.7
228.88870	1.7
228.95779	1.6
241.19608	1.9
243.21191	6.3
253.14476	2.9
259.20642	2.9
261.22128	17.8
262.22507	2.5
265.14490	2.8
267.15945	2.0
273.22244	3.3
277.21719	2.2
283.15402	62.6
284.15811	4.5
299.23911	1.9
301.16443	49.3
301.21671	3.0
302.16977	3.1
317.24850	4.0
333.24255	2.6
335.25812	100.0
336.26086	10.0
423.32465	3.0
433.31052	6.1
451.31876	14.0
469.32953	9.6
487.34085	3.6
507.34726	2.2
525.35754	14.2
526.36249	3.2
543.36829	85.6
544.37286	11.5
561.37848	42.7
562.37903	7.6
628.60754	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.5041
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.0
53.42244	2.4
55.05508	17.6
57.07062	2.9
57.28053	2.9
60.08167	4.1
67.05500	65.9
67.54948	2.6
69.07053	16.1
70.44828	8.1
71.04984	17.8
79.05489	34.6
81.07054	100.0
83.08621	10.2
85.06535	7.1
86.09718	19.2
91.05463	22.6
93.06495	5.7
93.07038	39.5
95.08598	28.5
97.06507	6.2
98.98487	4.2
105.07043	18.4
107.08588	19.7
109.10142	16.9
117.07034	5.7
119.08599	9.2
121.10142	16.7
123.11707	13.4
125.00026	12.2
131.08563	8.2
133.10110	17.0
135.11728	7.0
147.11716	4.4
149.13297	3.1
151.11163	6.1
159.11722	3.9
184.07350	64.1
185.07666	4.2
203.60928	3.1
269.17413	5.1
270.56210	2.8
301.20047	9.1
302.20255	2.9
335.25760	27.9
336.25922	3.1
503.37314	79.2
504.37418	9.3
517.38782	3.6
529.38708	12.1
561.41467	68.9
562.41632	11.9
758.57739	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	759.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.2
57.03444	1.9
59.43982	0.2
61.02915	0.7
65.03925	0.2
65.54974	0.2
68.99795	0.3
69.03430	2.3
69.69335	1.0
71.01345	0.4
73.02913	3.8
77.89289	0.2
81.03408	0.7
85.02901	4.3
87.04454	0.2
91.03882	0.2
97.02901	2.5
99.04420	0.3
109.02853	0.7
111.00793	0.8
115.03918	1.2
121.02864	0.9
123.04404	0.3
127.03915	1.0
133.04964	0.3
137.02339	3.0
145.04950	0.6
148.31258	0.2
149.02327	0.3
153.01814	2.3
154.02100	0.2
159.78278	0.2
161.05994	0.2
163.03954	0.6
165.01849	1.5
167.53305	0.2
177.05455	0.2
183.02910	0.6
195.02806	0.3
201.05487	1.2
207.02946	0.2
213.93414	0.2
219.02919	0.2
229.04979	3.1
230.05379	0.2
247.06015	0.7
257.04407	2.2
258.04550	0.2
274.04718	0.5
275.05283	0.3
285.03943	0.8
303.04965	100.0
304.05316	5.7
304.08789	0.2
345.05981	0.6
399.06943	0.3
465.10269	14.1
466.10703	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.3197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.3
55.01892	0.3
55.05504	0.7
63.51329	0.3
67.05506	1.3
69.03430	0.4
69.07079	0.8
70.06607	0.3
71.04990	0.5
71.31969	0.4
79.05500	1.2
81.03423	1.4
81.07063	1.3
85.02937	0.5
91.05469	0.7
93.07044	1.4
93.39556	0.3
95.04967	0.7
95.08617	1.1
96.52028	0.3
97.02878	0.3
97.06552	0.5
97.10136	0.3
103.05484	0.4
105.07034	1.4
107.04952	0.5
107.08617	0.8
109.02863	0.5
109.06514	0.5
109.10173	0.9
111.04393	0.4
119.08591	0.5
121.02648	0.6
121.06551	0.3
121.10157	0.9
123.04417	0.5
123.11723	0.5
127.03916	0.5
133.06412	0.3
133.10207	0.4
135.11700	0.5
137.05975	0.6
139.11212	0.3
141.05278	0.5
143.06999	0.3
143.08627	0.4
145.06479	0.5
145.10173	0.8
145.38858	0.3
146.03574	0.3
147.04372	0.4
149.09662	0.4
151.03922	0.6
151.07613	0.3
153.01906	0.6
155.08551	0.4
161.05986	0.4
163.03804	0.4
163.11255	0.3
165.09114	0.6
167.03290	0.3
167.07106	1.4
168.07295	0.3
169.04735	3.1
171.04120	0.3
175.03670	5.5
181.04918	0.5
181.08551	0.3
186.06470	1.5
188.04427	0.6
189.05223	12.1
189.08955	0.4
191.10800	0.3
193.12279	0.4
203.06798	9.5
207.06581	0.5
207.09888	1.8
221.08101	0.3
233.04187	0.3
234.08604	0.5
235.05873	1.2
247.09537	0.4
249.11165	0.5
250.08128	12.6
251.08731	1.3
263.09012	0.4
267.15921	0.4
279.12100	0.4
307.15283	0.4
325.10675	0.3
333.13034	0.3
335.14731	0.9
349.12360	0.5
351.14078	3.6
357.46213	0.3
431.16818	2.8
461.18143	0.5
476.27402	0.9
493.28021	0.4
494.28427	0.6
501.20871	0.7
515.22510	31.2
516.22827	3.7
517.20355	4.4
518.20563	0.5
531.21979	2.7
759.31915	100.0
760.32275	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	759.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.01872	0.7
55.05519	3.6
57.03447	2.4
57.07075	0.5
61.02930	5.4
64.52551	0.3
65.03947	0.5
67.05508	9.5
68.05838	0.6
69.03430	3.1
69.07069	2.7
70.57410	0.9
71.01349	0.6
71.04993	1.6
73.02920	3.7
79.05499	6.5
80.05848	0.4
81.03410	2.5
81.07058	8.8
81.07500	0.6
82.07393	0.7
83.05005	0.9
83.08631	1.5
85.02906	5.1
85.06547	0.5
86.03249	0.3
87.04486	0.5
91.03948	2.7
91.05489	4.4
92.05842	0.6
93.07046	5.3
94.07382	0.6
95.04978	1.7
95.08614	4.9
97.02904	4.7
97.06513	0.7
97.10172	0.8
99.04477	1.1
101.02390	2.2
103.03965	0.4
105.07030	3.2
107.08588	3.3
109.02832	0.7
109.06580	0.4
109.10162	2.6
111.08074	0.4
115.03895	0.3
117.07049	0.9
119.08624	1.5
121.10155	2.5
122.10489	0.4
123.08112	0.5
123.11727	0.7
127.03928	1.4
129.06996	0.5
131.08574	1.7
133.10146	1.7
134.10495	0.4
135.11731	1.4
145.10158	0.9
147.11694	0.8
149.09679	0.5
149.13309	0.6
151.11166	0.4
157.08899	0.4
159.11737	0.7
161.13272	0.5
183.14073	0.3
184.07422	1.5
199.36163	0.4
203.05415	0.5
215.12613	0.3
223.13377	0.7
243.08548	1.2
263.12613	0.5
267.15878	0.4
282.74161	0.3
297.38333	0.4
301.16602	0.8
301.19952	0.5
335.25787	1.9
336.26373	0.8
337.27502	1.0
338.27863	0.5
481.20526	4.2
497.31241	0.5
503.37268	0.5
504.37619	1.7
519.29327	9.6
520.29645	1.0
529.39948	0.4
534.58636	0.3
545.39435	0.4
562.42212	1.7
669.41986	2.5
691.40271	1.0
741.56073	0.4
759.42877	100.0
760.43231	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	759.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.7
55.05503	3.1
57.03426	2.6
61.02919	4.3
65.03936	0.8
66.17023	0.7
67.05498	8.6
68.91348	0.7
69.03425	2.6
69.07074	3.7
71.01380	0.7
71.05001	0.9
71.33940	1.5
73.02917	2.4
73.04746	1.0
79.05499	8.9
81.03421	5.8
81.07048	9.6
83.04998	1.8
83.08636	2.3
84.03339	0.7
85.02892	4.5
86.09699	1.5
90.88197	0.7
91.03972	3.1
91.05447	7.9
93.07045	10.0
95.04980	3.0
95.08614	5.8
97.02898	3.8
97.10185	0.9
101.02390	1.2
105.07006	6.2
107.04959	0.8
107.08574	4.6
109.02878	1.0
109.06537	1.4
109.10184	2.2
117.07036	1.4
119.08591	4.9
121.06506	1.1
121.10097	3.5
123.11700	1.1
125.00005	1.4
127.03910	1.7
129.05463	0.8
129.06984	1.1
131.08557	2.1
133.10132	3.2
135.11687	2.4
143.08591	1.0
145.10147	1.7
147.11728	3.9
157.10107	1.0
159.11780	1.7
159.91158	0.7
161.13315	1.9
167.07127	0.8
171.11711	2.0
173.13284	1.0
184.07323	4.0
185.04260	1.0
185.07751	0.8
185.13263	0.8
227.12892	0.8
243.08452	3.2
247.13068	1.5
267.15921	3.8
301.09128	1.1
335.25790	3.5
371.16956	1.1
462.45969	0.7
465.20966	10.7
466.21222	0.9
527.37183	3.0
535.28735	7.8
537.22772	1.4
544.38275	0.9
545.38745	1.8
562.38037	1.2
685.73010	0.8
759.42804	100.0
760.43121	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	760.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
55.01870	0.7
57.03452	0.6
61.02926	0.7
61.89527	0.4
67.05500	0.4
69.03451	2.2
71.05006	0.4
71.12380	0.8
73.02904	0.6
74.91480	0.4
78.04699	0.5
79.05492	3.4
79.49137	0.4
81.03419	10.5
85.02901	6.4
86.47272	0.5
91.03927	0.4
91.05476	2.6
95.04961	1.2
97.02902	2.8
99.04425	0.5
103.05457	2.8
105.07025	1.8
106.04166	0.5
107.04948	9.8
109.02904	0.8
115.05450	6.4
117.07020	16.1
118.07330	0.5
119.04939	0.6
119.08592	0.4
121.02831	0.4
121.06503	0.5
123.04418	2.6
124.05215	1.8
127.03918	1.6
127.05416	0.6
128.06224	1.0
129.07008	2.8
130.04152	0.9
131.04919	1.6
131.08574	2.8
132.05690	0.7
133.06497	1.1
137.05998	0.6
139.03925	0.4
140.04738	0.5
141.07010	1.6
143.04919	0.7
144.05623	1.9
145.05055	1.9
145.06482	35.8
146.06857	1.3
147.04434	0.7
147.08026	1.0
149.05916	0.5
151.03908	1.0
152.04665	1.2
153.43770	0.4
155.04935	0.5
155.06026	6.5
155.07106	0.7
156.05681	6.8
157.06520	2.0
158.07164	0.5
159.08044	4.9
159.23665	0.4
160.05180	0.6
161.06029	2.8
162.07637	1.4
163.03905	0.9
167.07034	38.2
168.07365	1.8
169.06387	0.7
169.07697	0.6
172.05243	0.6
173.05983	61.9
174.06305	3.0
175.03925	0.9
175.07507	1.7
177.05527	1.1
180.08702	2.0
181.04938	1.1
181.08633	0.5
183.06541	1.4
184.05174	1.4
186.06761	0.7
187.07541	5.6
189.05537	0.6
189.09097	0.4
190.06252	39.9
191.06808	2.8
191.08498	0.5
193.08617	1.8
202.06310	4.2
203.07024	7.4
204.07623	0.9
205.08598	100.0
206.08960	5.6
207.06520	1.5
207.10139	0.6
210.06813	0.5
211.07434	0.5
215.07019	1.1
217.08600	42.0
218.07217	0.4
218.09062	2.7
219.08043	1.0
219.10172	3.3
220.08725	0.6
223.09662	3.6
229.08521	0.8
231.07979	1.1
231.10124	0.7
233.09695	0.8
234.06816	0.7
235.09639	30.1
236.09993	1.5
245.09494	0.5
246.06895	0.4
247.07510	1.4
247.09702	6.8
248.08244	1.3
253.09012	0.4
259.07520	0.8
260.08273	0.5
261.09158	0.7
262.09903	0.5
263.10556	1.3
264.07703	1.3
265.10715	43.0
266.11035	2.7
267.06454	0.4
269.08130	1.2
271.09644	1.5
275.07108	0.6
276.07800	1.0
277.08725	0.6
279.10071	1.1
282.08826	0.5
284.06659	0.4
290.09402	0.8
291.10150	1.6
292.07208	0.6
293.08118	1.4
299.09293	0.6
301.07269	0.6
303.04855	0.9
307.09619	1.2
308.10367	1.0
315.08588	5.6
316.09290	0.5
319.09644	1.0
323.12726	1.4
325.10583	0.5
330.10950	6.8
331.11673	3.5
336.09729	0.6
337.10645	0.7
339.12173	1.0
343.11636	0.6
351.12158	3.3
352.12741	0.7
353.10455	0.6
368.12494	1.2
369.13123	0.6
371.14706	3.3
383.09924	0.8
383.14835	11.0
384.15179	1.4
401.15961	14.3
402.16241	1.4
527.60840	0.5
563.60223	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.4834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.7
55.01874	4.7
55.05513	25.8
55.19502	2.0
57.03441	24.3
60.08152	3.0
61.02925	5.1
64.54229	1.9
65.03946	2.6
67.05505	74.4
68.05844	2.3
69.03410	5.5
69.07066	18.6
71.05000	3.2
79.05492	60.4
80.05850	2.7
81.03419	91.5
81.07056	73.1
82.07403	2.5
83.04975	8.4
83.08614	26.4
85.02912	6.3
85.06490	2.7
86.09711	11.5
87.97470	2.1
91.05475	47.0
92.05836	2.3
93.07043	61.0
95.04969	35.4
95.08609	55.7
95.09221	3.1
96.08952	2.7
97.02902	7.9
97.06520	5.3
97.10169	8.9
97.73218	1.7
98.22550	5.2
98.82607	1.8
98.98473	3.1
105.07037	34.1
107.04958	7.7
107.08596	35.0
107.98843	1.9
109.06526	6.0
109.10155	23.6
111.04435	2.4
111.08070	8.4
117.07016	8.8
119.08587	31.1
121.06475	5.7
121.10146	28.5
122.10464	1.9
123.04428	2.1
123.08072	5.3
123.11710	10.4
124.99995	10.5
125.09682	4.8
129.07042	12.6
131.08560	26.8
131.26021	2.0
133.06487	3.1
133.10117	22.1
135.11707	18.3
137.09650	2.5
141.06992	2.1
143.08513	3.6
145.10139	14.3
145.25157	2.0
147.08032	2.8
147.11694	16.1
149.09608	9.0
149.13251	8.6
151.11237	2.3
157.10143	13.0
159.11691	8.0
161.13246	7.3
163.11189	5.3
163.14833	2.6
173.13268	5.6
175.11176	9.0
175.14804	3.0
184.07344	49.1
185.13339	2.7
186.82945	2.2
187.14774	4.3
189.11182	4.1
193.12256	24.5
211.13258	4.1
227.12820	6.5
243.03127	2.5
243.21098	5.4
249.14902	3.9
259.13327	2.2
261.22107	21.1
267.15912	99.6
268.16168	4.1
279.19617	2.1
285.17029	5.6
295.17957	1.9
301.25232	4.9
309.17004	2.4
313.21198	2.8
317.24747	4.9
335.25793	100.0
336.26175	10.3
380.95670	2.2
435.32611	7.2
453.21005	3.6
453.33481	7.4
471.34583	7.1
527.37366	56.0
528.37396	7.7
545.38263	43.3
546.38580	5.7
549.26917	2.7
563.39044	2.6
569.38287	4.9
576.95435	2.4
707.28589	2.2
743.39874	5.1
760.43243	21.1
761.40826	40.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.4835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.5
55.01872	6.0
55.05509	17.7
57.03434	13.5
57.07072	4.5
59.01246	0.9
59.05003	1.5
61.02927	9.6
65.03947	1.7
67.05504	43.1
68.05826	2.5
69.03422	6.7
69.07066	16.3
70.03782	1.1
71.04986	3.7
71.08642	1.6
71.31078	1.5
72.98697	0.9
73.02915	6.1
79.05494	22.9
80.05837	1.4
81.03413	11.6
81.07056	40.7
82.04219	2.8
82.07406	2.8
83.04973	6.6
83.08617	12.9
83.56120	1.0
85.02898	11.8
85.06522	2.5
86.09712	1.7
91.03976	5.6
91.05470	17.6
93.07044	20.0
94.07378	2.3
95.04971	8.7
95.08604	29.1
96.08930	1.7
96.92743	1.0
97.02872	6.5
97.06519	6.6
97.10165	9.8
98.07314	2.4
98.98563	0.9
99.04465	1.0
99.08122	1.6
101.02369	2.3
105.07038	11.3
106.07372	1.2
107.04987	2.0
107.08591	13.2
109.02858	1.2
109.06523	2.3
109.10153	15.9
109.10884	1.0
110.10438	1.5
111.04492	1.0
111.08085	4.5
114.39137	0.9
116.04707	6.9
117.07030	2.8
119.08575	10.2
121.06519	1.2
121.10135	10.3
122.10375	1.2
123.08044	4.7
123.11700	5.3
125.09634	8.2
127.03910	1.7
127.11245	1.2
129.05476	17.0
129.07040	3.4
131.08592	4.4
133.06505	1.0
133.10133	8.3
135.08081	2.6
135.11711	6.7
137.09633	2.2
137.13243	1.4
143.07062	4.3
143.08485	1.1
145.10118	4.9
147.11653	7.1
149.09570	1.8
149.13246	2.3
153.09085	1.2
157.08629	10.2
157.10136	3.1
159.11729	2.4
161.13251	2.8
163.11275	2.3
163.14803	2.5
165.12914	1.5
171.10211	2.9
173.11847	2.1
173.13295	1.8
175.11267	2.6
175.14839	1.8
177.16460	1.1
184.07407	2.4
185.11736	1.4
189.11258	5.6
193.12207	6.1
199.13350	2.0
209.11749	2.0
210.12529	1.1
211.13341	3.0
227.12750	6.1
229.14322	2.6
236.14857	1.6
243.08391	1.7
243.21198	1.4
261.22156	1.6
263.23889	2.0
267.15891	4.6
279.23325	1.3
283.15326	2.5
285.17099	3.3
297.24216	1.1
301.16440	58.0
302.16956	4.4
306.95132	1.2
335.26022	3.0
337.27338	39.8
338.27863	3.6
413.17673	2.2
414.18509	2.4
439.26144	1.2
481.20612	2.7
482.20782	3.1
498.31223	1.9
519.29675	2.0
520.29791	3.8
545.38263	2.1
546.39099	1.4
547.40082	1.4
563.39362	29.5
564.39862	4.4
669.41937	2.6
670.42004	29.6
671.42102	2.9
692.40997	1.9
760.43164	100.0
761.43274	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.5197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.5
55.05502	15.3
57.03425	5.7
57.07061	4.3
59.04990	2.6
60.24759	2.0
65.03943	3.1
67.05499	62.6
69.07083	13.8
69.23594	18.3
70.98785	2.5
71.04987	15.7
79.05492	16.1
81.03407	2.3
81.07050	100.0
83.04983	3.2
83.08616	10.4
85.06548	7.9
91.05458	19.4
93.07047	17.8
94.63697	2.3
95.04967	3.1
95.08604	33.4
97.06518	4.4
97.10172	7.3
105.07039	10.8
107.08588	16.2
109.10161	15.2
117.07016	2.7
119.08540	5.3
121.10130	7.2
123.11661	13.4
125.00007	3.2
133.10135	12.1
135.11687	4.5
147.11670	4.5
149.13229	5.3
151.11220	3.0
159.11685	2.6
177.12581	2.1
183.13751	2.7
184.07338	9.6
227.12711	3.0
253.91383	2.6
269.17456	6.3
288.92603	2.7
301.19977	13.7
337.27292	21.8
404.61026	2.3
505.38855	66.7
506.38995	8.2
519.40448	3.7
531.40198	6.6
563.42938	71.6
564.43390	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	760.6077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05471	2.2
57.03435	4.9
58.06599	33.3
58.06861	1.4
59.07382	10.1
60.08163	9.4
64.30241	0.7
67.05502	10.6
69.07063	3.6
69.09138	4.7
69.09563	2.2
70.47276	0.6
71.08607	0.7
75.04435	2.9
79.05495	4.3
81.07061	10.0
81.13611	0.6
83.04958	0.8
83.08578	1.2
84.08109	1.0
85.02879	1.6
86.09670	0.9
87.04462	4.1
91.05450	1.7
93.07053	3.2
95.08601	6.2
96.94920	0.7
100.11231	0.9
105.06982	1.3
107.08569	1.9
109.10128	2.2
113.05969	1.5
119.08526	1.4
121.10133	1.0
131.07010	1.3
135.11613	1.1
142.95557	0.8
144.10190	15.4
145.10460	0.6
155.24529	0.7
162.11240	5.0
171.90396	0.7
200.12721	0.9
218.13857	1.1
236.14909	100.0
237.15222	4.4
255.37784	0.7
436.38019	1.4
480.36920	10.1
498.37863	26.0
499.38071	3.7
592.30518	0.9
760.60791	84.8
761.61047	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	761.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41585	0.4
55.01878	1.5
55.05516	2.1
57.03427	2.2
57.07083	0.6
59.84604	0.5
61.02924	3.7
67.05509	4.6
69.03416	2.1
69.07079	0.5
71.04984	0.7
71.32463	0.9
76.93183	0.4
79.05497	1.6
81.03422	1.7
81.07073	2.0
83.01109	1.1
83.04975	0.7
83.08627	1.3
85.02914	4.3
85.06520	0.5
91.03959	3.4
91.05489	0.9
93.07059	1.5
95.01099	0.8
95.04984	0.6
95.08624	1.6
96.01885	0.9
97.02899	3.8
97.06516	0.5
99.04468	1.0
101.02390	1.5
105.07025	2.1
107.04883	0.6
107.08634	1.6
109.02867	0.8
109.10163	5.4
117.05515	1.0
117.07028	0.5
119.08572	0.8
121.10162	1.4
123.04246	1.8
125.09624	0.6
127.03881	2.8
127.11302	0.5
129.05530	1.8
133.10143	0.8
137.05995	1.3
137.09628	0.8
139.03702	0.8
145.04997	0.9
149.09613	0.5
151.03874	0.6
151.07578	0.7
153.05490	0.5
155.10695	0.7
165.08974	0.6
167.07072	0.9
173.11790	1.8
175.07713	0.6
181.04713	3.3
183.06598	0.5
184.03455	1.7
185.04222	9.3
193.08609	0.6
195.06314	0.8
195.09937	3.7
199.05769	3.5
199.13242	0.7
201.03703	5.7
203.05280	0.8
203.10596	0.5
205.08592	0.4
207.13591	0.6
215.06950	0.4
221.11510	2.4
227.05339	2.4
229.14445	1.0
235.13156	2.0
241.06862	1.7
243.08400	3.8
251.12595	0.8
259.08069	0.5
265.14142	2.6
293.13568	4.5
299.09216	0.7
301.08942	25.3
302.09357	1.3
307.15262	1.4
311.14642	2.6
313.09668	0.6
315.05048	0.6
315.10492	3.6
317.08716	0.9
335.18384	0.6
339.14194	4.7
341.12152	1.3
343.13748	0.8
349.23743	0.8
355.13718	0.9
357.15317	1.8
360.10391	1.2
369.15359	2.2
371.16913	0.6
373.11087	10.5
374.11163	0.8
377.23114	2.5
383.16779	2.8
385.18317	14.1
386.18658	1.2
387.12680	1.8
392.09293	1.6
397.18329	0.7
401.14102	0.9
413.17816	17.9
414.18170	1.3
415.15955	1.3
423.23993	0.9
429.17474	7.0
430.17825	0.6
443.18930	3.3
444.19470	1.0
457.20416	2.1
459.18640	0.9
471.21915	0.8
476.19003	1.7
485.19888	12.4
486.20184	1.1
499.21338	3.7
513.23395	3.2
513.62640	0.5
517.22632	0.5
527.24841	1.8
541.26105	0.9
555.27734	6.5
556.28534	0.9
569.28979	0.9
585.29144	0.8
589.24500	0.8
595.31079	1.4
597.28571	2.1
611.30688	1.4
623.30237	0.6
639.29663	2.5
640.30865	1.4
657.30890	100.0
658.31171	15.0
761.36115	10.5
762.36597	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.4
55.05507	1.1
57.03438	0.6
61.02936	0.9
64.05741	0.3
67.05499	3.0
69.03426	0.8
69.07066	1.3
71.31137	0.3
73.02908	0.4
79.05497	2.1
81.03440	0.9
81.07056	3.6
82.07391	0.4
83.04964	0.6
83.08603	0.5
85.02925	1.0
91.03979	0.8
91.05502	1.5
93.07058	2.1
94.07380	0.4
95.04964	0.6
95.08625	2.2
97.02882	0.7
97.06553	0.4
97.10176	0.6
103.05437	0.7
105.07063	1.1
107.08615	1.5
109.10172	0.9
111.08070	0.5
117.07018	0.4
119.08608	0.6
121.10118	1.0
123.04436	1.3
129.38777	0.3
131.08597	0.7
133.10141	0.8
134.68918	0.4
135.11684	0.6
145.10155	0.6
146.77292	0.4
148.07701	0.4
148.40028	0.4
153.05682	0.4
172.84393	0.3
184.07425	1.0
189.11148	0.4
204.02872	0.4
209.11792	0.4
249.18613	0.5
265.08426	0.7
285.11270	0.4
286.11505	0.8
335.25827	0.7
519.29248	0.9
535.26691	1.0
545.37946	0.4
546.38702	1.0
616.83722	0.5
761.38715	100.0
762.39014	16.3
775.67883	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	2.8
57.03441	0.8
57.07069	0.8
57.81786	0.6
58.72539	0.6
65.03934	0.5
67.05502	7.0
68.05830	0.9
69.07059	3.1
69.58880	2.9
71.04966	0.9
79.05485	4.4
81.07059	8.9
82.07365	0.9
83.08625	2.2
85.06563	1.4
86.09698	0.6
91.05473	2.8
93.07057	4.9
94.07369	0.6
95.05000	1.0
95.08612	5.8
96.08959	1.4
97.06514	1.2
97.10180	1.2
98.22684	1.1
103.13183	0.5
105.07030	2.5
107.08595	3.0
108.08929	0.9
109.10165	2.4
111.04439	0.6
111.08110	0.6
116.80132	0.7
119.08599	1.7
121.10127	4.0
122.10479	0.8
123.11687	1.0
131.08562	1.4
133.10182	1.4
135.11723	2.1
139.11214	1.1
149.09605	0.8
149.13229	0.8
159.11700	0.8
161.13254	1.3
176.85869	0.6
184.07404	1.1
185.70038	0.7
196.32863	0.6
203.17419	0.6
261.22272	0.6
279.23248	2.3
280.23752	1.4
283.15414	1.0
285.11325	0.7
285.16925	0.6
297.24405	0.8
301.16470	0.7
335.25812	0.8
336.26181	0.7
337.27591	0.8
338.27631	0.9
483.16354	1.5
546.38251	1.4
761.38605	100.0
762.38861	18.0
772.91034	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.01859	0.5
55.05513	1.2
57.03433	2.3
59.05005	1.6
60.62465	0.3
61.02925	4.7
67.05503	3.2
69.03424	3.3
69.07076	1.1
69.99122	1.0
69.99512	0.6
71.01354	0.6
71.04998	2.2
73.02908	2.6
75.00813	0.4
79.05489	3.6
81.03416	6.3
81.07056	4.4
82.24642	0.4
83.04992	1.3
83.08628	1.3
85.02902	4.2
85.06567	1.0
87.04468	0.9
91.03966	3.3
91.05475	5.2
91.62137	0.4
93.07030	3.1
95.04974	2.3
95.08617	1.4
95.20058	0.4
97.02881	3.9
97.06548	1.4
97.10190	0.6
98.23328	0.4
99.04479	0.8
101.02402	1.5
103.03935	0.8
105.07062	3.2
107.04991	1.0
107.08581	2.4
109.02895	0.6
109.06525	1.2
109.10184	0.6
111.08069	0.8
119.04814	0.4
119.08600	2.3
121.06517	0.5
121.10153	3.6
123.08038	0.8
123.11742	0.5
127.03967	1.7
129.05429	0.4
129.07021	1.7
131.08575	2.1
133.10121	1.9
137.05969	1.1
145.10127	0.6
147.11664	2.4
149.09605	3.0
151.03969	0.4
151.11189	0.5
157.10175	1.8
165.12761	0.5
167.06992	0.5
175.03967	0.5
175.11246	1.5
185.04144	0.5
193.12190	2.0
195.71436	0.4
197.15434	0.6
203.05325	0.5
207.06650	0.4
211.13339	0.5
222.60719	0.4
225.14940	0.9
233.11699	0.6
243.08380	3.1
267.16040	1.7
283.15173	7.3
283.98434	0.4
287.05499	0.8
313.10773	1.0
327.39224	0.4
339.17957	1.7
395.99088	0.4
402.24854	0.4
441.21051	0.5
469.20816	0.9
483.22824	0.5
501.23050	26.8
502.23312	2.5
599.34003	0.9
761.39252	100.0
762.39648	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	761.4076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.01869	0.5
55.05503	1.4
57.03445	1.9
57.03688	0.4
58.23209	0.3
61.02924	3.8
64.20895	0.3
67.05502	3.0
69.03429	2.5
69.07070	2.1
71.04998	0.5
73.02918	2.8
73.24887	0.3
79.05499	3.3
81.03424	3.3
81.07060	4.3
81.93974	0.3
83.04989	1.3
83.08624	1.3
85.02905	4.9
87.04476	0.4
91.03471	0.4
91.03931	1.8
91.05476	3.4
93.07049	2.4
95.04981	1.4
95.08587	1.9
97.02894	2.9
97.06515	0.8
97.10188	0.6
99.04473	0.4
101.02376	1.6
105.07014	3.2
107.04989	1.1
107.08604	1.3
109.02859	0.9
109.06525	0.6
109.10133	0.5
111.08105	1.2
115.03970	0.6
117.07024	0.9
119.08572	2.1
121.10161	1.0
123.11795	0.4
127.03908	1.0
129.07034	0.6
131.08586	1.3
133.10109	2.0
135.11719	0.6
137.09628	0.5
145.10121	0.7
147.11710	1.7
149.09644	1.0
149.13351	0.4
151.11194	0.4
154.58354	0.3
157.10185	1.1
159.11714	0.7
163.11264	0.3
175.11244	0.7
191.20937	0.4
193.12306	1.3
203.05318	0.5
243.08421	2.3
251.12640	0.5
275.20193	0.7
279.27011	0.3
307.15149	0.5
315.19278	3.8
371.21909	0.5
384.88748	0.3
469.20450	10.3
470.20831	0.7
476.14481	0.4
533.27228	4.9
712.84589	0.3
761.40765	100.0
762.41095	19.7
762.55225	0.7
771.03461	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.408
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
55.01868	0.8
55.05516	3.0
57.03442	2.3
59.05011	0.5
60.08157	0.5
61.02923	6.4
65.03947	0.7
67.05507	9.0
67.50739	0.4
68.05849	0.7
69.03429	3.4
69.07063	2.8
71.01358	0.6
71.04995	0.8
71.07368	0.6
73.02912	5.6
74.53029	0.4
77.40223	0.3
79.05486	5.9
80.05844	0.6
81.03414	3.0
81.07053	7.4
83.04951	0.9
83.08614	2.1
85.02902	6.3
86.09699	3.7
91.03957	3.1
91.05474	4.5
91.05975	0.4
93.07043	6.7
94.07379	0.4
95.04982	0.9
95.08601	5.8
97.02883	6.1
97.03378	0.5
97.06545	1.1
97.10194	0.5
98.23326	0.9
99.04467	0.9
101.02390	2.3
101.58134	0.4
103.03970	0.6
105.07019	3.4
107.04964	0.4
107.08597	2.8
109.02888	1.5
109.06564	0.8
109.10159	2.3
111.04455	0.6
111.08068	0.4
115.03941	0.4
116.86740	0.4
117.07007	0.9
117.19390	0.4
119.08549	2.3
120.08913	0.6
121.10139	2.7
123.08074	0.5
123.11750	1.0
125.00004	2.1
125.09636	0.7
127.03944	1.5
129.07072	0.4
131.08598	1.3
133.10118	2.9
135.11702	1.7
141.49777	0.4
143.08626	0.4
147.11726	0.8
149.13332	0.6
152.21394	0.4
159.11700	0.4
161.09663	0.8
161.13278	0.5
171.24088	0.4
184.07333	10.2
185.04204	0.7
189.09102	0.6
191.80331	0.4
203.05200	0.6
228.74989	0.4
234.26424	0.4
235.20845	0.4
243.08397	0.8
265.10544	1.2
267.16119	0.8
285.17020	0.6
335.25693	1.9
336.26279	0.8
337.27365	0.7
483.18372	2.9
491.55551	0.4
519.29279	9.9
520.30005	0.7
546.38727	1.0
599.35144	0.7
717.41620	0.5
761.40680	100.0
762.41046	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
55.05501	2.0
57.03437	2.5
60.08169	0.6
61.02926	7.4
65.03978	0.4
67.05502	6.5
68.05849	0.4
69.03427	3.1
69.07074	2.5
70.14192	0.3
70.48660	0.8
70.48992	0.7
70.77845	0.3
71.01365	0.7
71.04990	0.8
73.02916	4.4
74.42762	0.3
79.05486	4.6
80.05849	0.5
81.03407	2.5
81.07056	8.4
83.04989	0.9
83.08635	1.6
85.02905	5.6
85.06538	0.6
86.09711	2.3
87.04487	0.4
91.03965	3.4
91.05468	3.7
93.07048	6.3
95.04999	1.3
95.08609	5.9
97.02888	6.0
97.06543	0.6
97.10162	0.4
98.98483	0.4
99.00809	0.5
99.04474	0.7
101.02386	1.8
103.03934	0.6
104.95216	0.3
105.07021	2.1
106.78545	0.3
107.04933	0.4
107.08592	3.2
109.02905	1.6
109.06596	0.3
109.10143	2.5
111.08099	0.9
117.07053	0.7
117.48062	0.3
119.08561	1.7
121.10143	2.5
123.04431	0.7
123.08076	0.7
123.11698	0.6
124.99999	2.2
127.03912	1.7
131.08583	1.2
133.10121	1.9
135.11726	1.5
137.09663	0.4
142.83138	0.4
143.08632	0.8
145.04951	0.4
145.10135	0.8
147.11685	0.9
149.09663	0.5
149.13271	0.6
151.11253	0.8
161.09639	1.5
173.13272	0.6
184.07341	8.6
184.08887	0.6
185.04356	0.5
193.12366	0.4
203.05336	0.6
204.18576	0.4
243.08405	1.7
261.22226	0.4
265.10510	1.0
267.16080	0.9
279.23404	0.4
283.15613	0.4
285.17166	0.5
335.25864	1.3
336.26129	0.7
337.27390	1.1
483.18365	3.8
497.31290	0.4
519.29260	9.5
520.29523	1.0
529.38873	0.4
546.38556	0.7
761.40729	100.0
762.41052	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.2
57.03449	1.3
57.07090	0.7
61.02918	3.3
63.63975	0.6
67.05500	10.2
69.03419	4.0
69.07069	2.8
73.02925	3.5
77.17212	0.7
79.05492	7.9
80.05852	0.8
81.03414	1.7
81.07051	9.5
82.07422	0.7
83.04979	0.8
83.08624	2.2
85.02895	4.0
91.03983	2.1
91.05470	4.0
93.07050	6.9
94.07376	0.8
95.04979	1.3
95.08591	7.3
96.08941	0.8
97.02882	3.8
97.06535	1.0
99.04447	0.8
101.02382	1.0
105.07047	3.2
107.08606	3.1
109.06474	0.7
109.10165	2.8
111.08081	1.0
117.07075	0.9
119.08579	3.6
121.10167	2.3
123.11594	0.7
125.09615	0.7
127.03954	1.8
129.07028	1.3
131.08572	1.7
133.10153	1.7
135.11731	2.0
145.10162	1.7
147.11710	2.3
149.13306	1.4
159.11623	0.7
161.13301	1.4
171.11731	1.4
185.04161	0.8
243.08417	1.8
247.13155	0.9
267.15979	0.8
325.62109	0.8
337.27606	1.2
464.31039	0.7
465.20975	7.3
511.63959	0.9
529.39197	0.9
537.30536	5.7
538.30835	0.9
569.34119	0.8
761.44348	100.0
762.44867	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	762.5149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.1
55.01865	2.7
55.05512	16.6
57.03173	1.5
57.03433	14.7
57.07062	1.6
58.06588	4.7
59.07371	1.5
61.02919	3.5
65.03937	4.3
67.05501	58.8
69.03416	1.8
69.07066	15.0
69.41363	8.2
71.04979	2.6
73.02915	2.0
75.04506	1.3
79.05488	47.0
81.07052	52.7
82.07378	1.5
83.04950	1.7
83.08627	5.9
85.02889	3.8
85.06527	1.5
89.28963	1.2
91.05476	33.0
92.05859	1.4
93.07042	48.4
95.04961	4.6
95.08019	2.5
95.08603	40.9
95.09210	2.2
97.02921	3.2
97.06516	3.3
97.10184	2.7
105.07028	23.1
107.08585	18.8
109.02899	1.2
109.06518	1.8
109.10165	15.8
111.08055	1.8
115.05415	1.5
117.07003	9.4
119.08575	18.0
121.06525	1.9
121.10119	15.8
123.11690	3.7
128.06274	1.2
129.05479	2.0
129.06984	7.3
131.08572	10.5
133.10117	14.9
135.08029	2.1
135.11676	8.9
137.09657	2.1
138.93034	1.1
141.06960	1.5
142.07779	1.3
143.08549	5.6
144.10219	1.4
145.10109	8.9
147.07967	2.9
147.11668	15.2
149.09671	2.2
149.13263	4.8
155.15851	1.1
157.10132	4.7
159.11707	5.9
161.09621	2.9
161.13271	2.9
163.14842	1.3
169.10092	3.5
171.11649	7.6
173.13258	3.0
175.11230	1.7
175.14790	2.3
183.11702	1.8
185.13274	3.2
187.05647	1.2
187.14822	4.8
189.16385	3.9
203.17914	2.3
211.14807	2.1
213.16364	12.8
215.17850	1.9
229.15854	3.7
231.17456	17.6
236.14885	8.7
237.15302	4.0
243.21056	1.4
261.22089	5.4
285.71802	1.2
305.17899	2.0
305.21133	18.4
306.21350	1.5
307.22614	1.3
318.19293	1.2
324.37024	1.2
335.25784	100.0
336.26212	8.6
337.27292	2.6
353.19833	1.1
422.99316	1.3
499.38043	1.7
546.37738	1.3
565.42188	3.8
583.42743	2.2
761.60431	2.4
762.61487	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	762.5358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.5
55.05510	32.2
57.03429	6.2
57.07084	14.6
58.07382	2.0
61.02936	4.0
61.13091	2.0
65.03931	3.7
67.05505	68.3
69.03423	3.7
69.07066	36.2
71.04993	23.8
71.08633	6.0
79.05495	22.5
81.03410	4.4
81.07054	98.7
82.07393	2.6
83.04980	4.3
83.08623	25.9
85.02906	3.4
85.06540	9.4
89.52892	2.0
91.05484	19.1
93.07036	23.3
95.04966	2.8
95.08595	36.7
97.02873	3.5
97.06538	4.5
97.10159	14.5
105.07019	13.4
107.08589	18.3
109.06544	2.6
109.10146	20.8
111.04474	4.3
111.08119	2.8
111.11740	3.1
112.59384	1.8
117.07031	3.0
119.04870	2.3
119.08574	3.9
121.09316	1.8
121.10130	12.3
123.11707	17.8
125.06039	4.2
131.08519	5.0
133.10094	15.3
135.11690	8.9
137.05994	23.1
143.08604	4.1
147.11723	2.9
149.13266	6.1
151.07530	15.2
151.11209	8.1
153.05478	6.8
159.11688	4.3
165.09167	4.2
171.07999	3.8
183.13760	2.2
184.07346	4.2
187.13344	4.9
188.08327	3.8
195.13705	3.0
203.10675	17.7
221.11821	4.3
257.17621	2.4
269.17474	6.5
277.18176	3.4
301.20047	21.0
327.15878	11.3
339.28885	20.3
340.29367	3.4
345.16971	2.4
383.27881	3.1
489.39441	3.8
507.40436	100.0
508.40680	12.7
521.41956	5.6
527.25806	3.5
533.42413	12.6
565.35779	4.9
565.44611	96.6
566.44885	14.8
589.44354	6.3
618.48987	2.2
621.47040	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	763.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	0.9
54.86372	0.4
55.01868	1.6
60.70200	0.5
65.03940	1.3
67.01856	0.4
67.05482	0.4
68.99780	6.5
69.08519	0.4
69.31176	1.7
69.31606	1.3
74.15213	0.4
75.01347	0.4
79.01858	0.9
81.03410	3.0
91.05500	0.6
93.03399	0.7
95.04963	1.0
99.04436	1.1
105.03394	1.1
107.48819	0.5
109.02874	4.3
111.00795	5.6
111.04427	1.5
119.04935	0.8
121.02884	2.0
123.04422	10.2
125.02378	0.5
127.03907	70.5
128.04236	1.9
131.04858	0.5
133.02818	2.2
135.04416	1.7
139.03891	100.0
140.04218	3.0
145.02826	0.5
147.04387	5.4
149.02322	1.6
149.06006	0.9
151.03893	34.2
152.04239	0.9
153.01817	9.4
153.03020	0.7
155.03401	4.4
157.06471	1.2
159.04367	1.0
161.02304	1.0
161.05986	1.6
163.03891	8.0
164.04247	0.6
165.05478	1.4
167.03452	3.1
169.06451	0.4
171.04404	1.6
173.06027	0.9
175.03885	9.5
176.04311	0.7
177.05455	4.7
179.03380	31.6
180.03711	1.1
181.04962	2.7
183.04355	0.6
185.05992	1.7
187.03862	1.0
189.05423	3.0
191.03387	6.8
193.04993	2.6
197.05981	1.1
199.03877	2.4
201.05508	4.0
203.03372	14.4
203.05269	0.8
204.03745	0.9
205.04947	4.0
213.05437	4.0
215.03365	1.0
215.07062	0.6
217.04927	3.6
219.06509	0.9
223.02278	0.8
225.05441	1.0
227.03391	0.8
229.04967	3.8
231.02872	0.7
231.06425	2.1
233.04446	2.8
241.04955	2.1
243.06610	0.5
245.04431	10.9
246.04773	0.6
253.04945	1.3
254.05458	0.4
257.04449	8.3
258.04999	0.6
259.06039	2.6
263.05484	18.9
264.05902	0.9
269.04486	4.5
271.06091	3.0
275.05472	9.4
276.05865	0.8
277.07013	1.8
281.04465	0.9
287.05469	32.7
288.05896	2.4
289.07034	7.4
290.07251	0.6
295.06055	0.6
297.07486	0.8
299.05478	18.1
300.05792	1.2
301.07065	0.8
305.06525	8.8
306.06860	1.0
307.08252	1.0
311.05573	1.0
313.06973	0.5
317.06537	15.5
318.06827	1.1
323.05402	1.5
331.08148	0.5
365.06622	0.7
389.06537	1.2
407.07596	6.8
408.07779	0.6
425.08633	21.5
426.08969	2.1
437.08441	0.9
443.09879	2.9
444.09555	0.4
449.08582	1.1
459.09048	0.8
467.09610	1.0
540.57910	0.5
595.10449	1.7
630.74731	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00311	1.2
53.03945	0.4
55.01871	1.2
59.78950	0.4
60.06839	0.4
61.61525	0.4
61.76379	0.4
64.68692	0.4
65.03934	1.6
67.01860	0.4
68.99789	6.8
69.65849	1.8
69.66250	0.6
73.84888	0.4
76.35331	0.4
79.01854	1.1
79.96182	0.5
81.03404	3.9
86.57329	0.4
91.05468	0.6
91.19589	0.4
95.04974	1.0
95.64531	0.4
97.02888	0.5
99.04451	1.1
105.03374	0.9
107.04939	0.7
109.02873	4.6
110.67348	0.5
111.00800	5.0
111.04427	1.5
116.06633	0.5
119.04930	0.8
121.02861	2.2
123.04427	11.9
125.02337	0.5
127.03909	66.1
128.04253	1.6
131.04898	0.7
133.02869	2.8
135.04404	1.5
137.02322	0.5
139.03893	100.0
140.04263	3.1
141.06943	0.5
143.03349	0.7
143.04941	0.4
145.02812	0.5
147.04388	5.9
149.02362	2.6
149.06050	0.5
151.03899	34.7
152.04219	1.3
153.01814	10.7
153.02959	0.8
155.03374	5.0
157.06482	1.2
159.04416	1.2
161.02316	0.6
161.05997	1.3
163.03902	9.0
165.05472	2.0
167.03386	3.4
171.04411	1.8
173.05965	1.3
175.03912	10.8
177.01860	0.8
177.05478	3.8
179.03383	30.5
180.03761	1.1
181.04939	1.9
183.04395	0.6
185.05959	1.4
189.05426	3.2
191.03381	6.5
193.04999	2.9
197.05963	1.5
199.03888	2.7
201.05438	3.3
203.03387	14.0
205.04958	3.8
211.03868	0.6
213.05434	4.4
215.03378	1.1
217.04924	4.1
219.06531	1.0
221.04440	0.5
223.02295	1.3
225.05486	0.9
227.03346	0.8
229.04980	4.1
231.02995	0.5
231.06482	2.7
233.04417	2.8
241.04955	1.9
245.04445	11.7
246.04774	0.5
247.05994	1.2
251.05493	0.7
253.04984	0.9
257.04443	8.0
258.04816	0.7
259.05942	2.3
263.05475	16.1
264.05823	1.1
269.04376	4.1
271.06015	2.7
275.05502	8.5
277.07190	2.8
287.05487	32.7
288.05820	2.5
289.07007	5.6
295.05948	0.9
299.05499	17.4
300.05972	0.8
301.07211	0.6
305.06552	8.5
306.06702	0.6
307.08264	0.9
311.05347	0.9
317.06522	13.7
318.06924	0.8
321.07156	0.7
323.05359	1.4
336.65640	0.5
365.06412	0.7
389.06302	0.7
407.07562	7.2
425.08621	17.4
426.08813	1.6
433.39539	0.5
437.08173	1.1
443.09827	3.4
459.09000	1.0
467.09555	0.5
541.45947	0.4
560.51349	0.6
595.10492	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.2
55.01876	0.5
57.03418	0.3
58.18592	0.1
65.03937	0.9
67.01836	0.3
67.05485	0.2
68.99792	0.5
69.03416	0.5
69.07067	0.1
69.18150	0.1
70.91412	0.2
71.01330	0.1
73.02892	0.2
75.26337	0.1
77.03906	0.2
79.05456	0.2
81.03413	0.7
81.07031	0.2
85.02909	0.5
91.05479	3.4
92.05802	0.2
93.03403	3.1
93.07008	0.3
95.04977	0.4
95.08590	0.1
97.02842	0.3
99.04450	0.2
103.05464	1.3
105.03364	0.3
105.06979	0.3
107.04926	0.3
107.08585	0.2
109.02878	0.8
109.06488	0.3
109.10147	0.1
111.00772	0.6
111.04430	0.1
115.05468	0.3
117.06993	0.1
119.04939	2.2
120.29247	0.1
121.02857	0.9
121.06474	0.3
121.10103	0.2
122.03618	0.3
123.04446	0.5
127.03884	0.4
129.06953	0.2
131.04927	1.2
133.06473	0.1
134.03549	0.1
135.04398	0.3
135.07993	0.1
137.02345	2.9
137.03339	0.1
137.05968	5.1
138.06276	0.1
139.03923	0.6
141.01845	0.1
141.06966	0.2
143.04857	0.1
143.08534	0.1
145.06480	0.3
147.04407	3.4
148.05072	0.2
149.02342	10.1
149.05980	0.4
149.09593	0.1
150.02664	0.2
151.03902	0.8
152.06157	0.2
153.01819	2.9
153.06947	0.4
155.03345	0.1
155.04884	0.2
155.08525	0.6
159.04369	0.1
161.06003	0.6
162.06676	0.1
163.03918	1.2
163.07578	0.4
163.08704	0.1
164.08289	0.2
165.01834	1.3
165.05505	10.7
165.06963	2.0
166.02600	0.2
166.05789	0.3
167.03372	0.2
167.07037	0.1
167.08516	0.2
168.05707	0.3
169.06367	0.1
173.06000	0.5
175.03877	24.6
176.04271	0.7
177.05403	0.2
179.08499	0.2
181.06464	0.4
182.07257	1.0
183.02827	0.6
183.04413	0.3
183.08057	1.9
185.05989	0.3
187.03828	0.2
187.07530	0.1
189.05525	0.1
191.03511	0.1
193.04849	0.2
193.06461	0.8
194.07114	0.2
195.02888	0.1
195.07999	0.2
197.05945	0.3
197.09604	0.2
199.03983	0.1
199.07487	0.2
200.08278	0.3
201.05479	1.2
201.09151	0.2
203.06914	0.1
205.04929	0.2
207.06482	0.2
210.06772	2.1
211.07544	2.5
212.08006	0.2
213.05519	0.7
214.06131	0.2
215.06961	0.1
217.05017	0.1
217.08627	0.1
219.06522	0.2
221.05978	1.5
225.09091	2.7
227.07036	0.3
228.04163	0.2
228.07748	0.7
229.04979	3.1
229.08438	0.2
230.05273	0.2
235.07623	0.2
237.05544	0.2
238.06227	1.0
239.03371	0.1
239.07001	1.1
240.07716	0.2
241.05023	0.8
242.05789	0.2
243.06352	0.1
243.10135	0.2
247.05974	0.5
249.05487	0.2
253.08563	1.6
254.08864	0.2
255.06552	0.2
256.07272	1.7
257.04440	1.9
257.07379	0.1
267.06540	0.7
269.04440	0.2
271.06079	0.2
271.09671	0.3
274.04691	0.5
275.05334	0.2
281.08060	0.4
283.06042	0.2
284.06747	0.4
285.04028	0.8
285.06967	0.2
286.04343	0.1
288.06418	0.6
299.09125	100.0
300.09467	6.4
300.12976	0.2
303.04971	55.9
304.05334	3.2
315.04971	4.8
316.05322	0.4
317.10376	0.2
345.05890	0.6
351.12027	0.1
372.86676	0.1
379.11813	0.1
401.12372	0.4
425.12524	0.2
443.13199	0.5
461.14413	6.5
462.14883	0.6
590.11450	0.1
763.36505	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32829	0.1
55.01862	0.3
55.05476	0.1
62.68484	0.1
65.03940	0.8
67.01840	0.3
67.05494	0.2
68.99766	0.6
69.03413	0.3
70.91904	0.4
73.02901	0.2
75.81786	0.1
79.05492	0.2
81.03384	0.6
81.07021	0.2
85.02893	0.7
91.05475	2.8
93.03400	3.1
93.06920	0.1
95.04940	0.4
97.02877	0.2
99.04424	0.2
103.05440	1.0
105.03382	0.3
107.04942	0.3
107.08627	0.1
109.02882	0.8
109.06462	0.2
111.00759	0.6
113.02319	0.1
117.07011	0.1
119.04945	1.8
121.02836	0.7
121.06504	0.3
122.03593	0.4
122.82124	0.1
123.04371	0.5
127.03883	0.4
129.07019	0.2
131.04927	1.2
134.03664	0.2
135.04399	0.3
137.02347	2.3
137.05959	4.3
138.06293	0.2
139.03853	0.5
141.01830	0.2
143.04892	0.2
145.06480	0.2
147.04390	2.8
148.05084	0.2
149.02333	9.6
149.05966	0.5
150.02676	0.3
151.03873	0.8
152.04306	0.2
153.01826	2.7
153.06975	0.4
154.07748	0.3
155.08508	0.6
161.05956	0.5
162.06685	0.2
163.03889	1.4
163.07564	0.3
165.01828	1.4
165.05495	9.3
165.06955	1.6
166.02419	0.1
166.05785	0.3
167.03310	0.2
167.07062	0.2
167.08476	0.3
168.05730	0.2
173.05969	0.3
175.03874	21.9
176.04211	0.7
177.05475	0.2
179.03391	0.2
179.08635	0.2
181.06476	0.2
182.07254	0.9
183.02832	0.5
183.04364	0.3
183.08034	1.2
185.05833	0.2
187.03873	0.3
193.04881	0.1
193.06470	0.6
194.07039	0.2
195.02881	0.3
197.05911	0.2
197.09612	0.3
199.07559	0.2
200.08328	0.2
201.05479	1.1
203.07083	0.1
205.04845	0.2
210.06737	1.9
211.07542	2.2
213.05495	0.7
217.04985	0.2
219.03004	0.2
219.06651	0.2
221.06000	1.3
225.05637	0.2
225.09096	2.5
226.09514	0.2
227.07030	0.4
228.07750	0.6
229.04964	2.7
235.07539	0.2
237.05450	0.2
238.06241	0.8
239.07059	1.0
240.07690	0.3
241.04944	0.5
243.10094	0.2
247.05878	0.4
253.08562	1.7
254.09021	0.3
255.06459	0.3
256.07312	1.7
257.04422	1.6
267.06451	0.4
269.04379	0.3
271.06003	0.2
274.04724	0.5
281.08127	0.4
284.06693	0.4
285.03922	0.9
288.06232	0.4
299.09116	100.0
300.09457	6.5
303.04962	56.7
304.05341	2.8
315.04959	8.5
316.05307	0.6
317.10086	0.3
327.04929	0.2
345.05850	0.7
353.09830	0.2
401.12140	0.3
443.13544	0.3
461.14404	7.5
462.14923	0.6
763.36438	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.8
55.01873	0.5
55.05513	1.2
57.03441	2.0
61.02927	4.7
64.75624	0.3
67.05504	3.9
69.03425	3.3
69.07072	1.3
69.08279	3.2
71.01354	0.4
71.05004	0.5
73.02917	2.8
79.05486	4.0
81.03401	3.5
81.03757	0.3
81.07058	4.4
83.04977	0.8
83.08634	1.5
85.02902	5.2
87.04502	0.4
91.03957	2.7
91.05473	4.3
93.07033	3.9
95.03172	0.3
95.04987	1.2
95.08602	2.9
97.02889	4.5
97.06509	0.4
97.10196	0.6
99.04465	0.8
101.02390	2.1
103.03968	0.4
105.07018	3.7
107.05013	0.4
107.08568	2.2
109.02891	0.8
109.06528	0.5
109.10180	1.0
111.08128	0.6
117.07006	0.8
119.08570	2.3
121.10119	1.8
123.08119	0.4
123.11691	0.4
125.09612	0.4
127.03954	1.0
129.07011	0.8
131.08615	1.6
133.10176	1.4
135.11690	0.8
137.06026	0.4
145.10141	0.5
147.11703	1.5
149.09624	0.5
149.13315	0.6
157.10187	1.4
159.11800	0.6
171.11765	0.4
175.11264	1.1
181.04922	0.5
184.07338	0.6
185.04301	1.1
192.66428	0.4
193.12305	1.2
205.12257	0.4
243.08363	3.2
251.12662	0.9
259.07785	0.4
278.58105	0.4
285.16827	0.5
301.09085	1.8
307.15369	0.4
315.10532	0.8
351.65408	0.4
373.11115	0.6
383.16830	0.6
399.94925	0.4
441.89664	0.4
453.21066	1.1
469.20453	12.7
470.21024	1.3
533.54767	0.4
535.28931	3.9
536.29559	0.6
541.22900	1.4
551.28015	0.5
695.31390	0.4
763.42310	100.0
764.42682	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	763.4239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
55.01875	0.7
55.05509	2.2
56.72590	0.4
57.03445	2.7
60.08142	0.5
61.02929	7.4
65.03967	0.7
65.84573	0.4
67.05507	7.7
69.03432	4.6
69.07083	1.7
69.27179	3.1
71.01369	0.9
71.05002	0.9
72.35390	0.4
73.02921	5.1
79.05489	5.3
81.03419	3.7
81.07061	6.2
83.05002	1.1
83.08633	1.0
85.02902	7.8
86.09713	2.1
87.04470	0.5
91.03967	4.4
91.05475	3.3
93.07049	4.6
95.04959	0.8
95.08606	4.1
97.02903	7.0
97.06538	0.7
99.04483	1.4
101.02383	2.6
103.03975	0.5
105.07030	2.3
107.04983	0.9
107.08607	2.6
109.02889	0.8
109.10181	1.8
111.08099	0.6
112.10604	0.4
116.00414	0.4
117.07038	1.3
119.08600	2.1
121.10160	1.8
123.11726	0.9
125.00040	1.7
127.03944	1.8
129.88609	0.4
131.08609	1.1
133.10149	0.4
135.11749	2.5
145.10152	1.4
147.11758	0.5
157.17532	0.5
159.11726	0.6
163.11230	1.3
169.29836	0.4
184.07355	6.8
185.04253	0.8
185.07639	1.1
198.01653	0.4
201.11183	0.4
203.05612	0.4
227.12769	0.5
243.08444	2.0
249.11069	0.7
267.12152	1.2
335.25909	0.8
379.39822	0.4
441.17288	2.5
467.18918	2.4
485.19913	4.5
486.20630	0.6
496.91089	0.4
519.29303	10.2
520.29565	0.7
713.46246	0.5
717.42548	0.6
719.39856	1.8
745.41284	8.1
746.41925	1.8
763.42316	100.0
764.42688	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	763.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.4
55.01879	0.5
55.05500	1.5
57.03440	1.8
61.02925	4.0
65.03955	0.4
67.05507	5.4
69.03425	2.4
69.04476	0.3
69.06737	0.4
69.07072	2.6
69.53114	1.5
69.53532	0.7
71.01384	0.5
71.05000	0.7
73.02921	2.9
73.19753	0.3
79.05490	3.9
81.03416	1.6
81.07054	6.3
83.04993	0.8
83.08634	1.3
85.02897	3.3
85.06536	0.4
85.10888	0.3
87.04469	0.5
91.03960	1.6
91.05463	2.5
93.07046	4.8
94.56629	0.3
95.04985	0.6
95.08607	2.6
97.02886	3.6
97.06554	1.2
97.10191	0.5
99.04477	0.5
99.08109	0.3
101.02406	1.2
103.03922	0.4
103.86559	0.3
105.07037	1.8
107.04926	0.4
107.08591	2.9
109.02888	0.5
109.06519	0.4
109.10147	0.9
111.08142	0.7
117.07038	0.8
119.08602	1.2
121.06544	0.4
121.09426	0.4
121.10106	1.7
123.11735	0.4
125.09644	0.4
127.03962	0.7
129.07021	0.5
131.08603	1.3
133.10141	1.1
135.11734	1.0
143.08586	0.4
145.10117	0.6
147.11650	0.4
149.09598	0.4
149.13228	1.8
151.04012	0.3
159.06450	0.4
159.11734	1.0
185.04277	0.7
185.13449	0.3
195.13731	0.6
203.05373	0.5
235.13054	0.7
243.08414	2.7
269.17551	0.7
271.08304	0.4
291.15732	0.3
333.20422	1.6
389.22940	0.3
439.19669	0.5
453.20929	9.9
453.26874	0.6
454.21530	0.7
524.41815	0.3
551.28082	3.7
552.28662	0.4
665.34833	2.0
716.65161	0.3
763.42303	100.0
764.42737	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	763.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
55.01869	1.7
55.05513	1.7
56.61147	0.5
57.03436	3.6
57.07061	0.9
59.41425	0.4
61.02924	6.6
67.05501	5.9
69.03428	3.6
69.07056	2.2
69.33515	3.2
71.05009	0.5
73.02918	5.7
79.05491	4.4
81.03406	2.8
81.07053	5.8
81.07496	0.5
83.01108	1.4
83.04993	1.2
83.08628	1.9
85.02905	8.2
86.09705	0.7
87.04479	0.7
91.03957	5.5
91.05475	3.0
93.07038	4.6
95.01095	0.5
95.04971	0.7
95.08604	3.9
97.02895	6.6
97.06571	0.6
98.22566	0.8
99.04469	1.6
101.02397	1.9
103.03965	0.7
103.51530	0.4
105.07042	1.8
107.08585	2.4
109.02866	1.2
109.10170	1.8
111.04436	0.7
111.08112	0.5
117.05508	0.9
117.07053	0.7
119.08604	1.4
121.10151	1.9
123.04226	0.8
124.64324	0.4
125.00017	0.9
125.06017	0.4
126.77407	0.4
127.03900	2.4
129.05499	1.9
131.08554	1.0
133.10135	1.0
135.11725	1.2
137.09668	0.6
139.03700	1.0
145.04997	0.9
145.10165	0.9
147.11674	0.9
149.13251	0.8
156.03990	0.7
157.04852	0.5
157.39894	0.4
173.11641	0.4
173.13240	0.5
181.04802	1.9
184.07358	2.6
185.04199	7.5
185.07681	0.5
195.06348	1.1
201.03680	2.6
203.05269	0.9
207.13509	0.6
227.05251	0.6
236.15071	0.7
243.08453	5.7
251.12675	0.7
259.07874	0.5
301.08908	15.2
302.09586	1.0
315.10413	4.5
317.08658	0.7
327.10568	1.2
327.23212	0.8
329.12146	1.0
335.26083	1.5
341.12079	0.8
343.13766	0.9
346.35208	0.4
355.13705	1.0
357.15399	1.7
369.15182	2.3
371.16824	1.9
373.10992	8.6
383.16940	1.6
385.18323	8.4
387.12683	1.8
395.16895	0.5
399.25082	1.3
403.73105	0.5
415.15891	0.9
423.20123	0.7
429.17358	2.6
443.19052	1.0
455.18646	0.7
457.20435	2.3
463.23050	0.7
467.19009	1.3
469.20346	4.1
470.21683	0.6
471.22339	0.6
483.22021	1.6
483.34616	0.7
485.19104	1.0
489.25101	0.6
509.23505	3.5
512.26343	0.7
513.26782	1.8
519.29303	17.8
520.29431	2.5
523.25330	1.7
529.35291	0.6
535.26611	0.8
538.12140	0.5
549.26794	2.0
553.28790	0.5
563.28699	0.8
578.30627	11.4
579.31299	1.8
591.31433	7.0
592.32617	0.6
593.32788	1.2
605.33112	2.0
607.34918	0.8
619.34143	2.5
620.35400	1.0
633.35767	1.3
634.37531	0.6
647.37244	1.1
661.39270	5.8
661.49390	0.7
662.39911	8.0
663.39911	0.6
674.39716	0.6
675.40186	0.6
679.40039	2.4
691.38318	0.6
701.43048	0.7
703.40045	1.7
717.41754	1.5
745.41211	4.4
746.41479	2.0
763.41730	100.0
764.42010	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	763.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.5
53.76818	0.7
55.05505	3.4
56.04122	0.8
57.03429	3.5
57.07072	1.5
58.06590	0.8
61.02928	10.9
64.90020	0.7
65.03954	0.9
67.05504	12.2
69.03428	6.3
69.07064	3.3
69.07397	0.7
71.04990	1.1
71.33199	0.7
73.02908	5.8
74.60196	0.6
79.05488	6.7
81.03444	3.7
81.07065	9.3
83.04983	1.5
83.08618	2.5
85.02910	9.5
87.04469	1.1
90.60839	0.7
91.03940	5.2
91.05489	4.9
93.07047	8.1
95.04991	0.9
95.08613	7.3
97.02886	6.9
97.06546	1.2
98.22420	1.2
98.91277	0.6
99.04499	1.7
101.02373	2.5
105.03390	0.9
105.07041	2.7
107.08576	4.0
109.02910	1.5
109.10143	3.9
111.04391	1.0
111.08109	0.9
115.03978	0.9
116.75941	0.7
119.08574	2.5
121.06513	0.8
121.09370	0.8
121.10142	3.6
123.11742	1.7
125.09626	0.9
127.03938	3.1
131.08588	1.5
133.10136	2.4
135.11722	3.0
137.09613	1.0
138.33786	0.7
139.31827	0.7
145.05019	1.1
145.10101	1.9
147.11674	0.9
149.13297	1.2
161.13284	1.0
177.05542	1.1
184.07407	1.9
185.04245	2.6
203.05275	1.0
229.00613	0.7
235.13399	0.8
236.14943	1.9
237.15025	0.7
243.08478	3.0
249.10983	1.8
267.12109	4.3
267.15982	0.8
301.08899	4.6
315.10388	1.4
335.25842	1.7
373.11310	1.5
385.18399	2.9
399.25235	0.9
413.17834	1.2
427.19553	2.1
429.17383	0.8
439.19366	1.4
441.21210	2.1
457.20520	0.9
467.18909	2.2
485.19958	7.4
509.23257	1.7
519.29266	27.3
520.29663	3.1
549.26544	0.9
578.30450	3.4
591.31549	1.3
601.37177	1.4
661.39246	2.0
662.39417	1.8
663.40295	1.8
691.40100	9.8
692.40240	1.5
705.41736	13.2
706.41852	1.4
717.41528	4.2
719.43939	3.4
735.42877	0.8
745.41248	8.0
763.41785	100.0
764.42163	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	763.4596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.1
54.08893	0.3
55.05515	2.1
57.03443	2.8
59.63770	0.3
61.02920	8.5
65.03918	0.5
67.05503	8.1
68.05815	0.3
69.03430	4.1
69.07059	1.5
71.05000	2.9
73.02914	5.9
73.21262	0.3
79.05498	4.9
81.03422	2.7
81.07052	8.7
82.07444	0.3
83.04987	0.6
83.08624	1.1
85.02905	7.1
85.06553	0.5
87.04446	0.6
91.03956	4.8
91.05483	4.4
93.07042	4.8
95.04984	0.7
95.08610	4.2
97.02890	5.9
97.06532	0.9
97.10196	0.3
99.04473	0.8
101.02383	2.6
103.03949	0.4
105.07030	1.9
107.08599	2.6
109.02879	1.1
109.10145	1.8
115.03934	0.7
117.07059	0.8
119.08611	1.4
121.10141	2.0
123.11742	0.9
125.09695	0.3
127.03910	2.3
129.05525	0.3
131.08583	1.5
133.10117	2.2
135.11729	1.4
145.10135	0.5
147.11708	0.8
149.13315	0.7
151.11197	0.8
159.11734	0.8
163.14827	0.5
173.13268	0.4
181.84996	0.3
185.04230	0.6
187.13332	0.4
203.05322	0.5
243.08412	2.3
257.17474	0.5
261.22247	0.3
267.15677	2.6
335.25934	0.7
428.51282	0.4
485.23563	4.9
486.23947	0.4
519.29297	10.7
520.29938	1.2
553.35400	0.4
763.45972	100.0
764.46326	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	764.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	0.1
66.04699	0.1
67.05489	0.1
67.84360	0.1
69.03420	0.1
69.26977	0.4
69.27401	0.3
78.04700	1.1
79.05484	0.6
81.03410	0.2
81.07034	0.1
85.02908	0.6
91.05467	0.4
93.07035	0.3
95.04948	0.3
95.19797	0.1
97.02872	0.2
103.05447	0.3
105.07013	0.6
106.04155	0.6
107.04948	1.7
115.05430	0.2
117.07095	0.1
119.04948	0.1
121.06498	0.4
122.03636	0.2
123.04416	2.4
124.05225	1.0
127.03887	0.1
133.06488	0.5
134.03618	0.2
135.04489	0.1
135.08058	0.3
137.05934	0.4
146.36206	0.1
149.05943	0.6
151.03900	0.5
152.04703	0.9
161.05983	0.6
163.07576	0.5
165.31392	0.1
166.06175	0.1
167.07024	100.0
168.07358	3.6
179.06961	0.4
181.08566	1.0
193.08592	5.0
193.10362	0.2
194.08878	0.2
195.10165	0.4
211.09641	24.1
212.09995	1.1
213.11208	2.5
214.11545	0.2
249.60425	0.1
690.52490	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	764.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.1
55.05509	2.6
57.03434	5.0
61.02922	0.5
65.03951	0.9
67.05525	2.2
69.03431	9.0
69.07076	0.7
69.18208	1.6
69.18636	1.9
71.04980	0.9
73.02920	0.7
73.38189	0.4
75.04484	8.8
77.03927	1.1
79.05494	18.7
80.05843	0.6
81.03422	11.4
81.07059	7.2
83.04989	1.5
85.02901	6.0
87.04488	1.0
91.05479	16.4
92.64783	0.4
93.07043	100.0
94.07372	3.5
95.04964	4.7
95.08601	4.2
97.02886	6.7
97.06513	1.0
99.04456	2.3
99.49082	0.4
103.05469	2.0
105.04520	1.2
105.07025	10.3
106.04166	0.4
107.04961	3.3
107.08592	16.6
108.04498	1.2
108.08929	0.7
109.02879	3.9
109.06518	1.0
109.10168	1.0
111.04438	1.6
111.08083	8.0
115.05458	1.6
116.06237	0.5
117.07031	3.8
119.04958	0.8
119.08579	10.5
120.08879	0.5
121.02825	0.5
121.06510	1.6
121.10143	94.3
122.10474	3.4
123.04440	1.2
123.08082	2.1
123.11703	1.9
125.05975	0.9
127.03902	4.5
128.06187	0.5
129.06998	1.2
131.08572	5.3
133.06578	0.9
133.07584	0.7
133.10156	1.3
135.08125	0.5
135.11740	0.7
137.05978	1.5
137.09645	0.5
139.11195	5.3
141.06998	0.5
143.08585	0.6
144.05699	1.0
145.04974	1.5
145.06499	7.7
145.10068	1.1
147.08031	0.7
149.09619	16.3
151.03836	0.5
151.11183	0.5
152.26421	0.4
155.06052	1.2
156.05721	1.0
157.06506	0.8
158.73672	0.5
159.08102	1.6
159.11652	0.4
161.06024	1.1
161.09613	1.3
163.07573	1.0
163.11137	0.8
165.09061	0.6
167.07042	16.5
167.10677	27.7
168.07359	0.6
168.11053	1.3
173.05992	12.1
173.09569	0.7
173.13219	0.6
174.06488	0.6
175.07549	1.4
177.05490	0.7
181.08568	0.5
187.07553	1.2
189.09149	0.5
190.06253	6.9
191.10675	1.3
193.08617	1.0
197.08023	0.6
202.06340	0.6
203.07051	1.8
203.10658	0.4
205.08598	17.9
206.08981	0.7
207.06589	0.7
207.10165	0.6
217.08586	8.5
219.10156	1.4
221.11746	0.5
223.09723	0.9
229.08568	0.4
229.12213	0.6
233.11778	0.7
235.09660	5.5
247.09685	1.9
247.13341	0.6
249.11238	0.8
257.11755	0.7
265.10672	6.2
269.08142	0.6
275.12863	0.9
283.15326	0.5
293.13794	5.3
299.09265	0.7
300.09543	0.8
311.09180	1.8
311.14847	11.7
312.09561	1.4
312.14951	0.5
315.08661	0.8
323.12680	1.1
329.15945	2.5
330.10886	1.6
331.11551	0.7
341.12915	0.4
351.12253	1.0
371.14703	0.5
383.14902	3.4
401.15903	2.4
415.17532	0.6
417.14987	0.4
509.18314	0.4
602.17230	0.7
660.33044	1.0
764.36322	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.5062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.7
56.05032	0.6
57.03425	0.5
57.07065	0.2
58.06619	0.5
59.07397	0.2
60.08158	6.0
61.02920	0.7
65.86285	0.2
67.05495	1.8
68.53436	0.2
69.03410	0.4
69.07059	0.8
71.04958	0.3
71.07366	3.4
71.31061	0.3
73.02917	0.5
74.05571	0.2
79.05487	0.9
80.05804	0.2
80.25614	0.2
81.03406	1.3
81.07049	2.0
83.04980	0.4
83.08604	0.6
85.02898	0.8
86.09697	29.4
87.04447	0.3
87.10041	0.4
91.03951	0.5
91.05473	0.8
93.07032	1.1
95.04964	0.4
95.08606	1.2
97.02888	0.5
97.06518	0.3
97.10185	0.4
98.98457	3.6
101.02356	0.3
104.10733	1.9
105.07031	0.5
107.08578	0.8
109.02888	0.2
109.10143	0.7
119.08586	0.6
121.10141	0.6
123.08092	0.3
123.11735	0.2
124.99992	20.0
127.03914	0.2
128.49548	0.2
131.08578	0.4
133.10083	0.3
135.11716	0.6
143.01077	0.2
147.11705	0.2
147.47198	0.2
149.09637	0.3
149.13257	0.2
151.03903	0.5
184.07326	100.0
185.07704	1.6
193.12228	0.3
236.14868	0.4
243.08376	0.4
255.15659	0.2
267.15961	0.9
275.88574	0.2
323.54791	0.2
339.28922	0.6
351.05679	0.2
439.19150	0.5
440.19632	0.4
505.38715	0.4
519.29150	0.4
520.29327	0.6
521.30786	0.3
531.40112	0.6
621.22992	0.2
667.44727	0.2
714.35425	0.3
714.46924	4.4
715.46478	0.6
718.29999	0.3
718.41943	4.3
719.42157	0.6
747.42218	0.4
764.42041	6.0
765.42657	5.6
765.54083	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.53
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	27.1
56.16797	2.6
57.03437	13.1
57.07069	4.8
58.19562	2.6
58.65074	2.9
61.02934	2.6
65.03939	2.9
66.92484	3.2
67.05506	62.6
69.03435	3.5
69.07061	28.1
70.74005	5.2
73.46695	2.8
79.05490	41.9
81.07053	61.6
83.08620	13.2
85.06535	4.5
91.05487	33.3
93.07041	39.1
95.08601	53.1
97.06568	3.8
97.10181	6.8
105.07038	23.2
107.08598	20.5
109.06549	3.2
109.10148	19.2
117.07014	6.5
119.08582	20.1
121.10142	15.4
123.11710	7.8
128.23450	2.8
129.05470	3.3
129.07019	8.8
131.08588	12.3
133.10129	19.9
135.11705	12.2
143.08553	4.2
145.10153	6.4
147.11694	19.1
149.13239	5.1
157.10153	6.4
159.11703	6.1
161.13232	5.0
171.11665	6.8
173.13388	5.2
187.14815	4.8
189.12791	4.8
189.16483	5.6
191.44833	2.6
198.21440	3.0
203.17915	3.2
213.16362	15.6
215.17957	6.6
217.19551	3.2
231.17482	17.4
261.22089	3.7
263.23709	3.9
305.21030	16.2
307.22791	10.0
316.35565	2.6
335.25824	18.0
337.27341	100.0
338.27713	11.5
339.28918	3.4
455.63968	3.0
474.22171	2.8
490.08829	2.9
535.21887	3.6
567.43500	7.4
628.46143	3.4
651.95398	3.2
742.78381	3.2
753.93011	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	764.529
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05281	2.2
55.05509	25.9
57.03432	17.6
57.07066	2.8
58.12247	1.7
61.02917	5.0
65.03932	5.6
67.05503	89.2
67.20196	1.7
69.03407	2.0
69.07062	19.1
71.04974	4.9
78.49839	1.6
79.05027	3.9
79.05489	77.0
81.07053	93.2
82.07360	2.1
83.04976	3.1
83.08616	10.1
85.02885	3.6
85.06535	4.5
91.05477	43.3
93.07035	79.6
93.79258	1.9
95.04947	7.1
95.08601	72.7
97.02890	3.0
97.06531	3.1
97.10162	4.3
99.08097	5.3
100.37535	1.6
105.04476	2.0
105.07030	27.1
107.08585	39.6
109.06529	3.1
109.10149	34.5
111.08067	4.3
117.06973	8.4
119.08575	25.2
121.10138	39.7
123.08067	3.0
123.11714	11.2
125.09570	3.1
129.07002	3.7
131.08554	23.9
133.10120	35.3
135.08049	2.7
135.11685	35.0
136.12024	2.1
137.13245	3.6
143.08569	4.7
145.10092	19.9
147.11676	21.4
149.09520	2.4
149.13245	17.6
155.08606	2.2
157.10098	4.4
159.11685	18.8
161.13258	10.1
163.11243	4.3
163.14833	5.1
171.11658	5.0
173.13248	12.7
175.14806	5.2
177.16354	3.7
178.19887	1.7
185.13152	3.4
187.14803	7.9
189.16371	3.9
199.14804	3.5
201.16335	2.8
205.19502	4.4
213.16428	8.9
213.70555	1.9
215.17920	26.4
216.18155	2.0
217.19463	2.9
231.17438	5.3
233.19000	20.4
241.19511	4.3
243.21036	4.2
259.20584	5.0
261.22174	14.6
305.21252	3.8
307.22641	86.4
308.22916	7.9
309.24258	8.7
333.24255	3.9
335.25772	100.0
336.25986	7.8
337.27246	6.2
493.40137	2.8
567.44055	27.3
568.44458	3.4
585.44714	11.3
759.07416	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.2
55.05515	3.0
57.03438	2.3
57.07082	3.0
60.08160	3.5
61.02927	4.3
67.05502	8.4
69.03427	2.8
69.07063	5.0
69.21924	2.5
69.22340	3.4
71.05007	1.6
71.07379	1.7
71.08654	1.8
73.02911	2.8
79.05505	5.4
81.03424	7.4
81.07061	9.5
83.04987	1.1
83.08633	3.7
85.10155	0.8
86.09711	14.6
87.10065	2.4
90.33142	0.8
91.03967	3.3
91.05487	4.2
93.07052	4.9
95.04984	2.8
95.08607	7.3
97.02901	3.9
97.06547	1.7
97.10186	1.2
98.22663	1.1
98.98486	3.4
101.02414	1.0
103.54401	0.8
104.10741	0.9
105.07048	2.7
107.04960	0.8
107.08610	3.4
109.10185	2.7
111.04446	0.9
111.08110	1.1
117.06973	0.8
119.08569	2.4
121.06543	2.0
121.10162	2.8
123.11738	1.0
124.99996	11.5
127.03933	2.4
129.05478	1.0
129.07065	0.8
131.08580	1.6
133.10144	2.0
135.11711	2.3
147.11716	1.0
149.09660	0.8
151.03935	4.5
151.05101	0.9
157.10139	1.6
169.08530	0.9
175.64171	0.9
184.07349	46.0
185.04245	2.9
185.07684	7.3
193.12306	2.2
201.03584	0.9
207.13895	1.1
236.14923	0.9
243.08452	1.7
251.12749	0.9
267.15921	7.5
268.16287	2.0
301.08890	7.1
302.09363	0.8
308.14563	0.8
313.27371	3.6
315.10416	1.0
337.27640	1.2
339.29019	2.1
340.29340	3.2
343.15503	1.8
369.15128	1.4
371.16785	0.9
373.11179	3.4
385.18045	4.0
429.17511	1.7
457.20474	1.0
469.20557	3.6
483.21927	1.0
485.18356	1.0
505.38553	3.9
513.26593	1.9
521.30884	8.3
521.37970	1.1
522.31049	1.2
523.25012	1.9
532.40790	3.6
537.26624	1.1
580.32379	5.3
581.32721	1.1
593.32806	3.7
607.34619	1.5
621.36371	1.0
663.40668	2.7
664.41266	3.5
715.47125	2.8
719.42700	0.9
747.41907	2.6
765.42639	100.0
766.42932	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	765.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.2
55.05515	3.0
57.03438	2.3
57.07082	3.0
60.08160	3.5
61.02927	4.3
67.05502	8.4
69.03427	2.8
69.07063	5.0
69.21924	2.5
69.22340	3.4
71.05007	1.6
71.07379	1.7
71.08654	1.8
73.02911	2.8
79.05505	5.4
81.03424	7.4
81.07061	9.5
83.04987	1.1
83.08633	3.7
85.10155	0.8
86.09711	14.6
87.10065	2.4
90.33142	0.8
91.03967	3.3
91.05487	4.2
93.07052	4.9
95.04984	2.8
95.08607	7.3
97.02901	3.9
97.06547	1.7
97.10186	1.2
98.22663	1.1
98.98486	3.4
101.02414	1.0
103.54401	0.8
104.10741	0.9
105.07048	2.7
107.04960	0.8
107.08610	3.4
109.10185	2.7
111.04446	0.9
111.08110	1.1
117.06973	0.8
119.08569	2.4
121.06543	2.0
121.10162	2.8
123.11738	1.0
124.99996	11.5
127.03933	2.4
129.05478	1.0
129.07065	0.8
131.08580	1.6
133.10144	2.0
135.11711	2.3
147.11716	1.0
149.09660	0.8
151.03935	4.5
151.05101	0.9
157.10139	1.6
169.08530	0.9
175.64171	0.9
184.07349	46.0
185.04245	2.9
185.07684	7.3
193.12306	2.2
201.03584	0.9
207.13895	1.1
236.14923	0.9
243.08452	1.7
251.12749	0.9
267.15921	7.5
268.16287	2.0
301.08890	7.1
302.09363	0.8
308.14563	0.8
313.27371	3.6
315.10416	1.0
337.27640	1.2
339.29019	2.1
340.29340	3.2
343.15503	1.8
369.15128	1.4
371.16785	0.9
373.11179	3.4
385.18045	4.0
429.17511	1.7
457.20474	1.0
469.20557	3.6
483.21927	1.0
485.18356	1.0
505.38553	3.9
513.26593	1.9
521.30884	8.3
521.37970	1.1
522.31049	1.2
523.25012	1.9
532.40790	3.6
537.26624	1.1
580.32379	5.3
581.32721	1.1
593.32806	3.7
607.34619	1.5
621.36371	1.0
663.40668	2.7
664.41266	3.5
715.47125	2.8
719.42700	0.9
747.41907	2.6
765.42639	100.0
766.42932	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	765.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	3.5
56.67579	0.5
57.03439	1.5
57.07078	3.0
59.04998	0.7
60.08156	1.7
61.02926	1.2
67.05500	7.5
69.03416	1.4
69.07069	3.6
69.40253	0.5
71.04987	0.9
71.07371	1.1
71.08625	1.6
73.02915	0.9
79.05478	3.6
81.03427	7.7
81.07056	6.4
82.03747	0.8
82.07410	0.5
83.04973	0.9
83.08613	3.0
85.10164	0.9
86.09703	7.6
87.04492	1.3
87.10027	1.1
91.03974	0.6
91.05471	3.3
93.07049	4.1
93.34602	0.5
95.04961	2.4
95.08593	5.1
96.08918	0.8
97.02895	1.7
97.06543	0.8
97.10183	1.8
98.98463	1.5
99.08099	0.5
101.02376	0.7
102.36925	0.6
105.07037	2.5
107.04976	0.9
107.08621	3.1
109.02917	0.8
109.10136	2.9
111.04388	0.8
111.08112	1.1
117.07049	0.7
117.22133	0.5
119.08578	1.6
121.10151	2.3
122.02417	0.6
123.11694	0.9
125.00011	6.6
127.03880	0.8
131.08545	0.8
133.10133	1.3
135.11729	1.3
145.10083	0.8
149.09615	1.1
151.03931	2.9
151.11163	0.7
157.10117	0.7
164.92795	0.5
173.11519	0.6
175.11147	0.8
184.05690	1.4
184.07335	26.6
185.04214	0.6
185.07664	3.6
193.12244	1.3
195.00319	0.9
205.08664	0.6
229.14377	0.9
267.15915	6.5
268.16394	0.8
285.07413	0.6
311.25848	1.2
313.27396	3.4
339.28973	2.5
340.29456	2.0
344.15494	0.5
385.17944	0.6
465.35641	0.6
505.38861	5.0
519.29388	0.7
521.31024	2.1
523.32788	0.6
531.40631	1.2
532.40698	3.4
535.26813	1.1
550.41461	0.7
715.47284	1.6
719.42645	0.7
747.41846	1.0
765.41937	100.0
765.53406	4.1
766.42468	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.6
55.05511	1.6
57.03442	2.1
61.02928	6.7
67.05506	5.2
69.03426	3.7
69.07075	1.3
70.57024	0.5
70.57346	0.7
71.01334	0.6
71.05011	0.6
73.02923	4.6
74.22459	0.3
79.05495	5.2
81.03423	3.2
81.07055	5.3
83.04972	0.8
83.08618	0.8
91.03951	4.5
91.04433	0.5
91.05470	3.1
93.07048	4.5
95.04991	1.1
95.08602	3.9
97.02892	5.0
97.06528	0.5
99.04475	1.2
101.02393	2.1
103.03963	0.9
105.07040	1.6
107.08617	1.7
109.02888	1.2
109.10188	1.3
115.03931	0.6
117.06925	0.4
119.08614	1.4
121.10146	3.5
123.11703	0.7
127.03938	1.8
129.07072	0.7
131.08598	1.2
133.10152	1.1
135.11723	0.8
139.11194	0.6
145.10149	0.4
147.11687	1.0
149.09633	0.5
157.10115	0.5
175.11188	0.8
184.73947	0.4
185.04234	1.3
193.12233	0.5
203.05396	0.5
243.08481	3.1
251.12675	1.1
269.13730	2.0
335.25800	1.1
443.18942	4.2
469.20563	2.0
487.21439	4.6
488.21854	0.6
519.29279	9.4
520.29767	1.2
721.41071	1.6
747.43011	2.6
765.43878	100.0
766.44238	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	766.4938
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18825	0.9
55.01884	2.4
55.05509	9.3
57.03440	15.0
57.07077	34.5
61.18165	0.9
65.66761	1.0
67.05508	18.4
69.03425	2.1
69.07066	11.7
69.54274	6.2
70.95901	1.1
71.04996	2.6
71.08270	2.0
71.08630	26.8
73.02910	2.3
79.05489	14.1
81.03416	64.4
81.07053	23.8
82.03762	1.9
83.04987	4.0
83.08620	22.9
85.02905	3.7
85.10181	16.9
89.06017	2.3
91.05476	12.2
93.07037	10.6
95.04969	21.1
95.08022	1.9
95.08606	25.8
97.02892	3.8
97.06493	2.8
97.10163	5.8
99.08062	1.2
103.07566	1.5
105.07028	9.9
107.04951	4.6
107.08591	4.6
109.02879	2.3
109.06575	2.2
109.10169	11.0
111.04449	2.2
111.08088	4.9
115.05456	1.6
117.07059	2.4
119.08566	8.1
121.06524	2.3
121.10139	7.2
123.04418	3.4
123.11692	5.9
127.03899	2.1
129.07016	7.8
131.08540	8.0
133.06493	3.2
133.10139	4.4
135.11700	2.9
137.09622	2.0
141.01785	1.6
142.07741	2.0
147.04373	1.5
147.08080	1.9
147.11662	6.2
149.09637	3.4
156.09445	1.2
157.10133	9.1
160.58125	1.3
161.06003	1.1
163.11156	1.5
165.12764	1.3
173.09738	1.3
175.11169	6.5
184.07228	1.5
184.11577	1.1
191.07042	1.1
193.12245	29.6
194.12666	1.1
211.09616	1.3
211.13242	1.4
235.13309	2.5
239.23656	4.8
249.14857	2.9
257.24820	2.9
259.13150	1.4
267.15909	76.4
267.67438	1.0
268.16269	2.9
271.13425	1.3
289.22028	1.3
309.16898	2.6
313.27356	100.0
314.27759	7.9
329.13477	1.2
389.16208	1.4
404.85538	1.2
415.26785	2.2
489.31067	2.2
493.17285	3.3
505.38879	63.9
506.39368	9.1
539.28748	3.6
541.38599	3.6
547.39764	3.8
601.40485	2.3
627.37842	1.9
645.39783	1.3
766.44128	2.6
767.44183	2.5
767.56439	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.5453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.2
55.05251	2.6
55.05511	33.9
55.21088	1.2
56.47580	1.3
57.03440	14.5
57.07085	8.2
61.02917	4.2
64.30208	1.5
65.03939	4.7
67.05502	100.0
68.05846	2.7
69.03423	2.5
69.07063	32.0
70.58546	2.0
70.58897	3.4
71.04981	3.5
71.08634	3.7
74.50593	1.4
79.05491	57.3
80.05833	1.3
81.03428	2.0
81.07054	95.8
82.07365	2.5
83.04953	3.3
83.08614	18.4
85.02910	5.4
85.06553	5.0
91.03941	2.8
91.05477	35.4
93.07040	61.9
95.04967	3.7
95.08602	75.3
96.08918	2.1
97.02921	1.9
97.06544	4.6
97.10166	9.1
99.08084	7.2
105.07034	23.8
107.08596	29.9
109.06493	2.5
109.10159	31.3
111.08084	4.4
111.11754	2.1
113.09653	3.2
117.07021	6.6
119.08578	20.3
121.10133	32.5
121.10972	2.0
122.10431	1.4
123.08105	2.4
123.11694	14.5
125.09624	4.5
129.05498	1.8
129.07007	2.7
131.08554	15.8
133.10136	23.4
135.11687	28.7
135.12650	2.4
136.11952	1.4
137.09592	3.3
137.13280	3.8
139.11133	2.2
145.10129	14.4
147.11679	16.2
149.09636	1.9
149.13220	14.8
151.14835	2.8
157.10112	1.5
159.11684	9.6
161.13266	11.8
163.11160	1.6
163.14833	4.5
171.11681	3.3
173.13292	8.5
175.14816	4.9
177.16418	3.1
179.14352	2.1
184.07336	1.9
187.14867	3.0
189.16415	3.9
191.17978	2.7
203.17989	2.2
205.19551	3.2
213.16454	2.2
215.17950	20.9
217.19530	6.5
219.44463	1.4
231.17435	4.7
233.19008	18.9
233.22606	2.2
234.19336	1.4
235.20531	4.8
243.21161	3.8
245.22755	3.6
259.20624	2.4
261.22171	12.5
263.23749	3.0
279.22946	1.8
301.25198	1.5
305.21161	1.8
307.22662	68.2
308.23126	3.4
309.24210	46.7
310.24603	3.3
311.26044	2.4
317.24677	2.2
333.24417	2.0
335.21719	2.3
335.25772	45.3
336.26120	3.0
337.27371	72.0
338.27582	6.6
339.28928	4.5
455.88733	1.6
495.41885	6.4
569.45569	37.5
570.45667	4.6
582.57684	1.6
587.46710	18.6
588.46661	3.1
707.87433	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.5612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.1
55.05510	30.3
57.03437	16.8
57.07070	10.2
59.74601	0.9
61.02922	2.5
65.03944	2.7
67.05502	64.8
69.03413	1.2
69.07066	38.9
71.04991	2.2
71.08625	5.6
73.02924	1.6
77.66441	1.1
79.05489	36.5
81.07055	75.0
82.07403	1.2
83.04977	2.1
83.08620	20.7
85.02913	4.0
85.06537	2.5
85.10188	2.8
87.04552	0.9
91.03984	1.3
91.05482	16.5
93.07042	41.8
95.04958	1.9
95.08604	53.3
96.08932	2.0
97.02920	2.4
97.06542	6.2
97.10170	11.7
99.08092	1.8
105.07034	12.9
105.33233	1.0
107.08594	29.0
109.06543	1.4
109.10154	24.2
111.08096	3.0
111.11671	4.6
117.07023	4.1
119.08577	12.0
121.10146	28.0
122.10423	1.1
123.11709	11.5
125.09693	1.7
131.08568	6.7
133.10115	8.6
135.11687	20.4
137.13261	5.6
138.49338	0.9
139.11061	0.9
145.10120	6.1
145.70801	1.1
147.11684	5.7
149.13260	10.4
151.14824	1.2
153.12737	2.1
159.11646	6.2
161.13280	6.0
163.14821	7.8
173.13278	7.7
175.14824	2.5
177.16452	1.6
184.07368	2.1
187.14821	3.1
190.34380	1.0
195.00282	1.3
201.16342	1.4
215.18120	1.0
217.19574	1.2
219.21086	2.9
235.20407	1.5
237.22034	5.2
243.21092	9.7
261.22125	33.2
262.22552	2.0
279.23212	1.1
309.24188	9.8
310.24512	1.2
311.25775	100.0
312.26117	5.9
317.24750	7.1
335.25803	82.7
336.26132	7.5
337.27319	12.5
497.43579	2.1
571.38306	2.1
571.47174	36.9
572.47565	5.4
584.63770	1.0
589.48492	9.7
590.48169	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	5.8
61.02920	5.8
62.50135	3.7
67.05517	8.6
69.03426	5.3
69.07082	4.6
69.56802	23.2
73.02951	4.9
79.05482	8.6
81.07058	11.7
81.97637	3.5
85.02907	6.2
86.09734	9.3
91.05496	4.6
93.07043	7.8
95.08612	7.4
98.23325	5.4
105.07027	4.4
121.10164	4.9
133.10120	7.9
159.74974	4.3
178.82516	3.8
184.07355	8.7
477.89493	3.9
491.25815	11.9
528.70251	4.2
657.53442	4.7
769.35968	5.9
769.48645	100.0
770.48743	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	770.359
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	3.8
55.05493	1.7
57.03421	2.6
61.02926	4.6
65.03935	3.9
67.05495	8.6
69.03428	9.0
71.31804	1.1
75.04469	4.8
77.03922	3.2
78.04720	1.8
79.05484	16.1
81.03425	10.8
81.07056	6.1
83.04954	2.0
85.02902	4.7
87.04447	1.3
91.05476	17.0
93.07041	62.1
94.07401	1.2
95.04967	80.1
95.08573	5.4
96.05305	1.4
97.02879	5.7
99.04458	2.3
103.05431	3.6
105.03368	1.5
105.04509	6.2
105.07024	7.3
106.04222	1.0
107.04954	8.4
107.08588	13.6
108.02089	2.4
109.02895	4.0
109.06514	2.3
109.10143	2.5
111.04427	2.1
111.08061	3.5
115.05476	1.4
117.07011	2.7
119.04938	3.0
119.08566	14.4
121.05734	1.0
121.06464	5.7
121.10139	69.7
122.10444	2.3
123.04428	90.3
123.08048	2.4
123.11714	1.8
124.04732	1.3
125.02364	2.0
125.05973	1.7
127.03923	5.1
127.07553	2.2
129.07008	1.5
131.04909	3.6
131.08539	4.6
133.02870	1.5
133.10133	2.3
135.04402	2.2
135.08029	1.8
136.05263	1.5
137.05952	11.1
137.09656	0.9
139.03860	1.2
139.07489	2.9
139.11163	2.5
140.04674	27.7
143.08548	1.1
145.04935	2.0
145.06496	3.9
145.10091	1.3
147.04361	4.7
147.08029	1.7
149.05956	4.2
149.09616	13.4
151.03906	3.6
151.07489	4.7
152.04651	1.2
153.01802	3.9
153.05406	1.4
155.07024	50.7
156.07425	1.3
159.04347	1.2
161.05945	2.7
161.09615	1.3
163.03882	2.5
163.07532	9.4
163.11194	1.4
164.08307	2.3
165.05431	5.2
165.09070	2.4
167.07030	60.7
167.10684	28.6
168.07350	2.1
168.10980	1.4
173.09685	1.3
174.05431	1.1
175.07533	2.0
177.05470	6.3
177.09103	3.8
179.07028	14.2
179.08472	1.7
180.04201	3.0
180.07349	1.1
183.06520	100.0
184.06917	3.2
185.13290	1.0
187.07605	1.8
187.15186	1.0
189.09126	4.1
191.07008	1.8
191.10654	2.1
193.04951	3.8
193.08672	1.3
194.05273	1.0
195.06506	21.3
196.06921	1.6
197.08006	1.7
201.09082	1.8
203.10641	1.1
205.08487	1.9
207.06546	2.7
207.10161	2.7
209.08046	2.8
213.09135	1.6
215.10637	2.9
217.08620	2.3
217.12335	1.4
221.08069	1.2
225.07559	48.7
226.07848	1.2
227.09122	3.0
227.12753	1.7
229.12175	2.6
233.07855	1.1
239.10696	1.4
243.08545	9.3
255.10072	1.4
271.09650	1.7
275.12750	2.0
283.16953	1.3
293.13718	4.7
299.20538	1.0
311.14725	14.9
313.17905	3.0
320.80972	1.0
329.15979	2.8
341.13708	1.2
345.16510	1.3
373.16275	1.3
389.15823	2.3
407.16751	1.1
455.20828	1.0
457.21652	1.3
473.21542	1.7
475.23035	1.2
770.31348	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04253	0.6
55.01868	8.1
55.05510	26.0
56.05828	0.9
57.03174	1.0
57.03434	9.4
57.07063	1.0
59.04984	2.4
61.02912	2.5
65.03940	1.1
67.05501	30.0
68.05803	0.8
69.03423	8.5
69.07064	22.2
70.07377	1.0
71.01323	0.8
71.04977	2.9
73.02892	1.2
77.03954	0.7
79.05489	31.5
81.03413	13.8
81.03894	0.8
81.07053	27.8
81.91590	0.6
82.07393	0.9
83.01331	5.8
83.04974	10.3
83.08613	13.7
85.02888	3.8
85.06521	2.1
91.03939	1.0
91.05475	19.6
93.07040	25.7
94.04170	0.6
94.07343	0.8
95.04960	10.2
95.08023	1.1
95.08602	13.7
97.02892	10.4
97.06530	5.7
97.10167	9.5
99.04416	1.0
99.08080	0.6
103.05462	1.1
105.07030	16.0
107.04945	10.5
107.08594	17.2
109.02884	1.2
109.06512	5.5
109.10146	8.5
111.04453	1.6
111.08062	3.5
115.05429	1.5
117.07008	10.3
119.04971	1.2
119.08578	15.5
121.06512	5.7
121.10132	8.4
123.08060	8.4
125.05981	1.0
125.09645	8.5
127.03925	0.8
128.06209	0.9
129.07011	3.2
130.07758	1.8
131.08565	7.9
132.81824	0.6
133.06482	3.6
133.10129	6.3
134.07210	1.0
135.08031	4.1
135.11691	7.8
137.09630	3.1
141.07005	0.6
142.07733	0.9
143.08488	3.7
145.06474	1.5
145.10107	14.0
147.08043	7.0
147.11673	2.7
149.09622	2.7
149.13248	1.4
150.09996	0.8
151.11143	1.2
153.12715	1.9
155.08478	1.6
157.10092	2.2
159.08090	0.8
159.11702	2.9
161.09581	2.6
162.10451	1.0
163.11174	15.4
164.11499	1.4
165.09041	1.0
169.10130	0.7
171.10123	0.8
171.11676	1.4
173.09605	2.9
175.11162	1.6
177.12706	1.3
179.10718	0.9
181.12256	2.4
189.11235	2.7
191.10654	2.2
193.12257	1.0
195.13797	1.8
205.12267	2.1
209.11671	4.5
223.13274	14.8
224.13599	1.1
227.12766	6.6
229.15790	0.7
245.18886	1.0
249.14958	3.5
253.14313	1.8
255.17407	1.6
263.19971	1.0
267.15891	1.0
273.18460	13.5
283.15387	61.5
284.15704	3.5
291.19528	100.0
292.19809	5.6
309.20544	1.1
347.22101	1.8
365.23206	39.8
366.23587	3.7
424.34232	0.7
453.25235	0.9
475.26413	0.8
479.26569	0.7
493.28024	2.6
541.35022	1.1
555.33099	1.7
573.34167	74.2
574.34454	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	770.4466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.2
55.05505	4.9
57.03423	1.3
57.07088	0.8
65.03927	0.8
66.42902	0.5
67.05504	15.5
69.03421	5.9
69.07062	4.5
71.04988	1.3
71.31219	0.7
79.05047	0.8
79.05489	13.9
80.05815	0.5
81.03413	8.5
81.07055	15.1
83.04970	2.0
83.08604	1.2
85.02886	4.8
85.06528	0.9
91.05473	13.3
93.07046	12.6
94.04156	0.9
95.04964	3.4
95.08594	10.3
97.02873	3.8
97.06531	1.1
97.10155	1.2
99.04463	1.1
103.05466	9.5
105.07021	12.4
107.04936	2.8
107.08593	8.5
109.02861	2.4
109.06519	2.4
109.10145	4.2
111.04448	1.6
113.09628	0.5
115.03871	0.5
115.05454	3.6
117.07004	6.9
119.04930	2.4
119.08573	7.5
121.06506	4.0
121.10140	5.0
122.03631	0.8
123.04424	3.5
123.08042	1.0
123.11689	1.7
125.05979	0.7
127.03917	2.0
128.06226	4.1
129.07021	3.2
131.04918	6.6
131.08549	7.2
133.06487	6.0
133.10114	4.7
135.08025	2.7
135.11673	3.3
137.05965	21.7
137.09569	1.2
139.11209	0.5
141.06975	1.6
142.07742	0.7
143.04875	1.1
143.08559	7.7
145.06488	4.1
145.10144	4.0
147.04396	1.3
147.08020	2.1
147.11713	2.7
147.12717	0.4
148.05176	4.0
149.05975	6.5
149.09604	0.5
149.13268	1.8
150.06512	0.5
151.03876	1.4
151.07533	10.9
151.11159	0.7
153.05510	0.6
153.06963	0.7
153.09116	0.5
155.08516	0.8
157.06496	1.0
157.10097	1.4
159.08058	1.6
159.11710	4.1
161.05969	24.8
161.09593	4.3
161.13301	2.1
162.06377	1.3
163.07535	12.4
163.11174	0.7
164.08348	3.6
165.09113	11.5
166.07784	0.5
167.08511	0.9
169.10136	1.0
171.08028	5.7
171.11668	1.8
171.58386	0.4
173.09732	0.6
173.13257	2.0
174.06790	1.1
175.07541	1.8
175.11171	0.5
175.14798	0.9
177.05501	0.5
177.09099	1.7
179.08533	0.9
179.10648	0.5
181.08575	1.3
181.10057	0.7
183.08101	0.7
183.11647	0.8
184.07353	0.6
185.09543	0.7
185.13283	1.4
187.07515	1.4
187.11282	0.5
187.14827	1.0
189.09097	20.9
189.10846	1.1
189.12720	0.8
190.09462	0.9
193.12099	0.5
195.10179	1.0
195.11694	0.8
197.09560	0.6
197.13290	0.8
199.14864	1.0
201.09109	0.6
203.10593	1.1
205.12119	0.5
207.08102	1.1
207.10074	6.6
209.09734	0.5
209.13368	0.7
213.09114	0.6
219.10071	0.6
223.07422	0.5
224.08334	0.8
225.09059	1.1
229.15898	0.7
235.07597	1.6
235.11177	0.9
239.10616	1.4
241.19592	0.9
243.21109	0.8
249.14944	0.6
252.07727	0.5
253.08656	1.1
253.12169	0.5
257.11652	0.6
259.20673	1.4
261.22153	2.1
263.10760	0.6
267.10059	3.5
267.13217	0.5
269.08121	0.9
271.20480	0.8
273.22040	1.0
275.23776	0.6
277.21701	0.9
283.09592	0.7
284.10513	1.6
285.11157	7.3
287.12952	0.8
289.21805	0.6
291.23117	0.5
292.11069	0.5
295.13272	1.3
303.23184	1.4
311.12769	1.0
313.14340	7.5
315.23065	0.8
319.22870	0.6
327.23248	0.7
331.15372	100.0
332.15738	7.7
337.14417	1.2
341.24741	1.1
345.24454	0.6
351.23016	1.1
353.13660	0.8
355.15414	4.6
369.24179	4.1
373.16467	0.9
387.25189	3.7
394.26385	0.5
397.16656	2.4
398.16745	0.7
405.26364	2.7
421.16504	2.2
423.27756	0.7
439.17377	1.2
464.06903	0.5
545.38123	1.2
611.42542	0.8
620.20667	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.5048
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	7.6
55.05502	32.5
57.03448	8.0
67.05508	60.2
69.07063	20.4
69.69945	27.8
71.05015	5.4
79.05494	49.9
81.03407	42.2
81.07053	68.4
83.04967	12.9
83.08599	30.7
85.02902	14.6
91.05489	38.2
93.07059	43.9
95.04971	24.1
95.08600	55.0
97.06533	8.7
97.10181	9.9
105.07028	28.4
107.08566	28.1
109.10168	20.4
111.04427	7.3
111.08064	5.6
117.06999	9.0
119.08571	26.0
121.10174	21.3
122.86694	5.1
123.08057	9.9
123.11696	9.6
125.09628	10.5
131.08572	22.4
133.10158	22.1
135.11671	16.0
137.09581	7.9
145.10124	13.6
147.11694	12.6
149.09579	8.2
149.13326	8.9
153.09016	6.2
157.10175	12.7
159.11716	10.9
163.14853	5.0
175.11234	6.9
193.12190	39.7
211.13274	84.0
211.15111	6.9
225.65320	5.7
243.21112	7.5
251.19946	5.6
261.22205	16.0
267.15991	27.0
285.16980	100.0
286.17276	10.3
335.25778	92.8
336.25925	10.7
527.37250	17.0
545.38300	73.3
546.38776	8.2
766.44470	5.4
788.40814	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	770.5048
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	7.6
55.05502	32.5
57.03448	8.0
67.05508	60.2
69.07063	20.4
69.69945	27.8
71.05015	5.4
79.05494	49.9
81.03407	42.2
81.07053	68.4
83.04967	12.9
83.08599	30.7
85.02902	14.6
91.05489	38.2
93.07059	43.9
95.04971	24.1
95.08600	55.0
97.06533	8.7
97.10181	9.9
105.07028	28.4
107.08566	28.1
109.10168	20.4
111.04427	7.3
111.08064	5.6
117.06999	9.0
119.08571	26.0
121.10174	21.3
122.86694	5.1
123.08057	9.9
123.11696	9.6
125.09628	10.5
131.08572	22.4
133.10158	22.1
135.11671	16.0
137.09581	7.9
145.10124	13.6
147.11694	12.6
149.09579	8.2
149.13326	8.9
153.09016	6.2
157.10175	12.7
159.11716	10.9
163.14853	5.0
175.11234	6.9
193.12190	39.7
211.13274	84.0
211.15111	6.9
225.65320	5.7
243.21112	7.5
251.19946	5.6
261.22205	16.0
267.15991	27.0
285.16980	100.0
286.17276	10.3
335.25778	92.8
336.25925	10.7
527.37250	17.0
545.38300	73.3
546.38776	8.2
766.44470	5.4
788.40814	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	770.5167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.4
55.05501	1.9
56.05027	0.8
57.07066	0.7
60.75782	0.5
60.92357	0.5
67.05505	2.2
69.07060	1.7
69.12315	1.9
69.12744	2.2
71.08592	0.7
72.08148	18.5
73.41286	0.5
79.05501	2.7
81.03417	0.5
81.07057	3.1
83.04988	0.5
83.08619	0.6
84.08141	0.8
86.09700	100.0
87.10020	2.2
90.34226	0.4
91.05450	2.2
93.07025	3.3
95.04970	0.8
95.08614	1.3
98.09696	3.0
98.23418	0.8
103.05473	1.4
105.07031	3.0
107.08595	1.4
112.11240	6.6
117.07008	0.6
119.08551	1.2
120.08096	55.7
121.08434	1.1
129.06999	0.7
132.08119	0.5
133.10098	1.0
140.14348	8.6
142.35284	0.4
143.11777	0.8
145.10165	0.8
146.09641	2.9
147.11644	0.9
154.15891	15.2
155.16252	0.8
157.13351	12.5
159.11699	0.5
171.11427	1.7
174.12770	2.2
185.12845	15.2
185.14934	0.8
185.16475	9.9
186.13188	1.0
188.14331	5.9
189.12694	0.6
199.18051	9.3
205.86368	0.5
211.17998	2.1
213.15974	8.8
219.11298	1.2
219.14931	3.7
225.19601	5.9
226.31876	0.4
227.17546	8.3
228.17883	0.7
233.16464	17.9
234.16858	0.7
235.18053	0.9
239.17444	2.2
243.14909	0.4
247.14415	3.0
253.19095	5.4
253.22725	5.9
254.19566	0.7
259.18088	2.8
261.13174	0.8
261.15958	13.8
261.18579	0.9
262.16208	0.8
267.24271	2.2
269.17484	0.5
273.16101	0.6
281.17398	1.4
281.22266	3.5
284.19632	2.2
287.17490	3.2
287.21155	4.8
295.23737	1.3
298.21249	8.6
301.22745	4.3
315.20673	2.8
318.18118	1.4
326.24399	2.1
327.24576	0.6
329.22098	3.0
332.19653	6.0
333.19968	0.5
340.25937	1.5
352.25992	1.0
360.22885	3.9
366.27505	1.7
369.28610	1.0
374.24451	2.6
383.30447	0.8
386.24319	1.2
394.30649	1.1
397.28125	2.8
400.25839	2.0
403.27032	0.5
411.29224	2.3
417.28561	1.6
428.28964	1.9
431.26440	2.0
439.32806	1.3
442.30734	0.6
445.27719	4.1
465.34164	2.4
473.31329	3.0
475.30606	2.8
482.36392	0.7
499.32712	3.3
510.36340	4.2
513.33826	2.5
516.35846	1.1
524.38501	0.5
530.36700	1.8
541.37177	2.1
542.38037	0.7
544.34851	5.4
545.34979	0.8
555.37317	0.9
558.36340	5.3
559.36359	0.8
578.42535	1.6
586.39301	1.4
595.44885	0.7
612.41138	5.8
623.44708	1.3
626.42621	0.6
629.43597	5.1
639.42151	0.8
643.44995	1.4
657.43182	12.2
658.43604	1.2
671.44904	3.8
672.45245	0.6
680.80670	0.7
725.49457	2.4
742.51990	5.4
743.51831	1.1
752.49854	1.1
770.51929	6.3
771.52380	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.577
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	14.1
57.03430	8.5
57.07074	35.1
57.98318	1.3
61.02923	3.1
66.72948	1.2
67.05503	40.6
69.07061	17.3
70.50508	3.0
71.04984	1.5
71.08629	21.5
77.03944	1.3
79.05491	23.6
81.07055	38.8
83.08620	10.9
85.02910	1.4
85.06511	1.7
85.10181	11.5
86.09702	3.6
89.06071	1.9
91.05485	10.6
93.07038	27.1
95.04973	2.1
95.08598	39.8
97.06532	2.2
97.10151	7.6
105.06455	1.4
105.07008	7.7
107.08587	16.7
109.10158	16.8
117.06979	2.5
119.08559	9.7
121.10130	12.9
123.11695	5.4
125.00007	1.7
131.08591	9.0
133.10126	6.3
135.11716	9.0
137.13271	3.2
145.10135	6.0
147.11691	3.8
149.13219	6.7
159.11720	4.2
161.13251	4.1
163.14839	3.5
173.13260	4.3
174.96605	1.5
175.14827	1.4
177.16394	1.8
184.07384	10.5
187.14798	1.8
239.23749	2.5
243.21063	7.0
243.33624	1.4
257.24780	2.5
261.22110	26.1
262.22586	2.7
279.23117	1.4
313.27347	100.0
314.27734	7.1
317.24631	6.6
335.25772	70.1
336.26120	6.6
340.19968	1.3
370.39984	1.4
573.48773	34.7
574.48718	4.3
591.49762	2.9
731.47412	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27148	0.2
65.26073	0.2
67.05488	0.4
71.31930	0.2
79.05457	0.4
81.03387	0.3
81.07046	0.3
91.05457	0.3
93.07013	0.3
95.04981	0.3
97.10157	0.3
105.07027	0.3
107.04887	0.2
107.08621	0.4
109.10118	0.3
119.08530	0.3
121.07308	0.2
125.09676	0.2
130.18768	0.2
145.10115	0.3
157.17244	0.2
176.04477	1.0
190.21095	0.2
201.05232	3.5
203.06795	0.6
213.08876	0.6
216.07573	35.0
217.08163	2.4
227.12802	0.3
234.08580	0.3
257.10236	0.4
283.15442	0.3
289.46387	0.2
294.39487	0.2
335.72833	0.2
397.16196	100.0
398.16510	7.8
438.18823	0.4
675.37335	0.2
733.73151	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	4.6
55.57598	2.2
57.03440	2.5
57.07071	4.1
61.02934	8.5
63.65235	1.9
66.98687	2.5
67.05217	2.3
67.05497	11.5
69.03440	4.3
69.07076	3.2
69.22002	18.2
69.22408	4.1
73.02928	7.6
75.08523	2.4
79.05511	4.4
81.03413	2.4
81.07056	14.2
85.02907	9.0
91.03971	3.2
91.05485	3.8
93.07068	7.3
95.08629	6.5
97.02902	5.3
105.07054	2.3
107.08587	3.1
109.10242	4.2
112.99371	2.1
121.10163	3.7
125.00019	4.4
184.07385	8.7
243.08514	2.7
465.45322	2.3
484.72223	2.6
493.27832	10.0
519.29761	3.9
605.80994	2.3
771.50195	100.0
772.50299	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	772.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.9
56.68370	0.2
57.03432	0.5
61.02920	0.9
62.11537	0.2
65.03922	0.5
67.01837	0.2
67.45847	0.2
69.03432	2.8
69.21600	1.8
72.91118	0.2
73.02917	0.2
79.01830	0.3
79.05497	2.0
81.03415	0.9
81.07055	0.3
85.02913	5.0
87.04479	0.4
91.05484	1.3
93.03399	0.4
94.04165	0.5
95.04948	0.6
97.02888	2.3
98.23376	0.4
99.04455	0.3
102.29205	0.3
103.04836	0.3
103.05449	2.1
105.07030	6.5
107.04951	0.9
109.02882	0.5
109.06509	1.0
115.05451	8.3
117.07017	0.3
119.04959	0.3
121.02838	0.4
121.06523	0.6
122.03651	0.8
123.04424	2.0
127.03927	1.2
131.04938	1.4
133.06485	5.2
135.04431	0.9
135.07996	0.4
137.05974	15.7
138.06271	0.5
139.03889	1.3
143.04909	1.9
144.05707	0.3
145.04942	0.6
145.06462	0.5
145.10092	0.3
147.04420	0.5
148.05138	0.5
149.05962	2.2
149.09637	0.3
150.06776	0.5
151.03908	8.5
151.04971	0.4
151.07544	0.4
152.04240	0.3
153.01823	2.4
153.02930	0.4
153.05515	0.5
154.02180	0.5
155.08424	0.3
157.06401	0.3
160.05144	0.4
161.05974	36.6
162.06306	1.4
163.07541	1.1
163.11159	0.5
165.05547	0.3
165.06845	0.4
166.07669	0.3
171.08044	0.8
173.05939	0.3
173.88470	0.2
175.07558	1.2
177.05511	0.4
178.07843	0.9
179.06996	0.5
179.08524	3.5
181.06483	0.8
182.07295	0.7
183.08000	0.8
185.05995	0.6
189.06970	0.3
193.10223	0.4
195.08139	0.5
196.08839	1.9
197.09592	1.2
199.07567	0.5
199.21800	0.2
203.07024	0.2
206.07211	0.3
207.08047	4.7
208.08484	0.5
209.06073	0.3
209.09625	0.4
209.39351	0.2
210.06808	0.6
211.07605	1.1
211.11185	0.5
215.10814	0.2
221.09599	0.6
223.07480	0.3
224.06306	0.4
224.08330	3.7
225.05527	0.3
225.09093	4.3
226.09514	0.4
227.07047	0.6
228.07797	0.3
233.11653	0.3
235.07530	10.8
236.08018	0.7
239.07086	1.1
239.10669	5.7
240.07564	0.3
240.10902	0.2
242.09367	0.6
249.09138	1.0
251.07109	0.4
252.07817	2.7
253.08572	3.3
254.09161	0.4
255.06471	0.4
257.07861	0.5
257.11807	1.1
265.08630	0.8
267.10144	11.1
268.10474	1.1
270.08786	1.3
273.07593	0.4
273.11145	1.0
281.08090	0.6
285.11194	100.0
286.11557	6.1
287.12772	0.6
291.08740	0.5
299.09052	2.7
301.10779	0.9
303.08777	0.4
303.12244	5.5
304.12671	0.6
308.62949	0.2
317.10104	1.1
423.14456	1.9
433.12781	0.7
447.16483	5.2
448.16663	0.5
451.13879	0.7
596.29767	0.2
738.51532	0.2
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
53.88240	1.5
55.01871	13.0
55.05514	39.4
57.03437	24.3
57.07077	3.0
59.05000	29.4
61.02937	1.9
65.03934	4.4
66.96664	1.6
67.05505	94.5
68.99798	1.6
69.03423	8.8
69.07063	15.2
70.47281	4.1
71.01338	2.0
71.04993	25.8
79.05492	49.3
81.03418	100.0
81.06565	2.6
81.07054	54.8
82.03738	2.9
82.07401	2.1
83.04978	18.4
83.08617	28.8
85.02893	10.4
85.06541	7.1
87.04461	29.8
91.05477	48.1
93.07049	39.9
95.04964	39.3
95.05538	3.2
95.08609	26.4
96.05282	1.6
96.24960	1.9
97.02901	8.0
97.06522	10.9
97.10174	20.5
99.04456	10.9
99.08103	1.9
103.05440	4.0
105.04512	1.9
105.07029	35.8
107.04949	21.4
107.08600	28.3
109.02897	3.6
109.06518	9.8
109.10159	54.5
110.10531	2.0
111.04450	12.0
111.08073	14.1
117.07026	10.1
119.04926	4.2
119.08578	30.9
120.08900	2.0
121.02851	4.0
121.06492	12.5
121.10144	24.8
123.04427	8.6
123.08081	7.9
123.11718	3.0
125.06043	2.3
125.09628	15.4
127.03966	2.5
128.06297	2.8
129.06987	17.9
131.04964	3.5
131.08565	24.9
133.06479	8.0
133.10139	17.7
135.04398	8.0
135.08090	6.3
135.11682	9.2
137.05972	8.6
137.09618	6.4
139.11165	2.2
142.07803	4.3
143.08540	4.1
145.06494	5.7
145.10104	13.7
147.04456	5.9
147.08032	8.4
147.11681	18.7
149.01237	1.8
149.06044	3.5
149.09622	22.5
151.03932	4.6
151.07570	4.0
153.01843	7.4
153.09122	4.7
153.12744	11.4
155.08650	3.7
155.10655	2.4
157.10129	18.7
159.08044	2.0
159.11761	5.9
161.05995	6.6
161.09637	4.7
163.06137	2.0
163.07585	5.1
163.11168	17.2
163.61757	1.8
165.12733	3.8
167.07089	3.0
167.10632	1.9
169.10129	3.1
171.08038	2.4
171.11678	1.9
173.09624	4.1
173.11745	12.3
173.13150	3.4
175.07574	2.7
175.11188	19.7
181.10797	1.9
181.12227	8.6
183.11684	2.0
185.13290	2.9
187.11136	3.7
189.11217	11.1
189.12740	3.3
191.10703	5.8
193.12241	56.5
194.12628	2.8
199.13310	10.3
201.09225	2.1
201.12785	2.7
203.10689	2.5
203.14333	3.6
205.12231	3.9
207.13884	2.0
209.11734	11.7
211.11331	2.3
211.13271	43.1
212.13873	2.3
217.12376	2.8
219.13855	3.4
223.13261	5.6
225.14853	14.5
227.12749	21.3
229.12267	3.0
229.14339	32.2
230.14680	1.9
231.13802	4.4
235.13397	5.3
241.14384	2.3
247.13307	10.4
249.14799	15.5
259.13373	3.7
263.16443	3.4
267.13098	3.8
267.15897	58.4
268.16214	3.0
271.13367	2.6
273.14734	3.7
277.14188	2.0
283.15445	12.2
295.15207	2.4
299.05527	9.2
299.08932	3.5
299.18503	3.3
301.14487	2.6
309.16907	2.9
311.09113	3.3
315.18201	2.9
337.21613	4.1
347.19922	2.4
355.22720	8.0
365.21262	12.0
367.21826	1.8
373.23743	5.0
383.22183	26.6
401.23294	20.8
403.24838	1.9
409.25861	2.2
415.24527	5.7
421.25806	22.8
433.25769	5.5
439.24847	1.8
447.27798	4.1
453.28589	2.5
457.25903	4.5
475.26843	17.8
479.30606	2.6
493.27863	5.1
499.26816	1.9
507.29440	16.5
525.30579	6.8
588.63629	1.8
652.90527	1.9
772.30853	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	772.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	14.9
55.05512	37.9
57.03190	2.0
57.03440	26.1
57.07074	3.4
59.05024	2.0
61.02915	6.5
65.03931	4.9
67.05502	79.0
68.63897	2.1
68.64882	2.1
69.03412	9.8
69.07067	28.6
69.16079	11.6
69.16499	5.5
71.04998	10.5
73.02911	2.5
78.01994	2.3
79.05492	80.2
81.03416	47.2
81.07053	100.0
82.07375	2.0
83.01344	5.9
83.04983	30.3
83.08609	27.6
85.02899	18.5
85.06528	6.9
91.05478	83.8
92.05811	3.8
93.07041	76.3
94.07346	2.1
95.04971	31.0
95.08601	30.4
97.02875	7.9
97.06537	14.8
97.10169	6.5
99.04451	4.4
99.08061	2.7
103.05465	2.9
105.04527	3.1
105.07033	66.8
105.07746	3.4
106.07327	1.9
107.04952	24.3
107.08585	48.5
109.02861	2.1
109.06519	12.9
109.10155	34.3
109.29346	2.1
111.01530	1.7
111.04424	7.3
111.08035	11.1
113.05996	5.0
115.05434	4.5
116.06258	1.9
117.07025	16.2
119.08578	34.3
121.06503	13.0
121.10153	23.6
123.08080	10.1
123.11714	7.1
125.09634	5.3
127.03829	1.7
128.06236	2.1
129.05490	2.2
129.07021	13.3
131.08563	31.1
133.06480	6.8
133.10130	47.8
134.10439	2.0
135.08060	10.0
135.11694	19.9
137.05949	2.1
137.09586	5.3
139.07521	2.0
141.07014	1.9
142.07779	4.7
143.08562	7.8
145.10112	21.4
147.08040	6.9
147.11685	16.0
149.09604	13.1
149.13248	7.6
151.11188	14.8
153.12805	1.8
155.08516	2.6
157.10168	10.8
157.11272	1.9
159.08043	2.7
159.11659	8.6
161.09602	5.7
161.13229	2.1
163.11176	23.9
165.12689	2.4
169.12117	2.1
171.11688	5.3
173.09656	2.5
173.13257	3.8
175.11180	10.8
175.84125	2.0
177.09073	2.9
177.12828	1.8
181.12210	3.3
185.66722	2.1
189.11209	2.9
191.10640	2.6
193.12250	26.6
195.13774	8.5
209.11717	5.1
211.13292	36.5
212.13579	3.0
215.12715	2.2
227.12738	6.1
245.19066	2.6
246.38857	1.9
251.12659	2.5
253.14334	33.6
255.15665	9.3
257.19022	4.6
267.15924	14.7
269.17426	23.2
273.18497	18.8
275.20004	16.1
283.15402	60.8
284.15686	2.7
285.16995	32.0
289.17828	4.6
291.19504	21.9
309.20599	2.1
331.22537	3.5
347.22162	6.2
349.23666	12.6
365.23178	17.8
367.25027	2.2
381.97580	2.0
445.25696	2.9
459.26880	2.2
463.26910	28.7
477.21481	4.3
477.28448	81.9
478.28796	9.5
481.27966	8.3
482.28604	2.2
539.33209	3.3
557.34851	22.7
558.34973	3.8
575.35785	32.0
576.36273	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	772.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	8.3
55.05254	2.2
55.05511	27.5
57.03435	12.7
57.07059	1.5
61.02927	3.2
65.03931	2.6
67.05503	38.2
69.03429	12.7
69.07067	30.9
69.58397	5.6
71.04990	6.0
79.05489	40.5
79.79984	1.2
81.03416	40.1
81.07055	44.5
83.01344	2.2
83.04979	17.3
83.08615	22.4
85.02898	16.8
85.06538	1.9
91.05477	41.0
93.07043	30.4
95.04969	21.2
95.08600	18.2
97.02882	11.8
97.06523	8.1
97.10162	14.3
99.08114	1.6
103.05437	1.3
105.07024	29.0
107.04935	11.4
107.08595	19.6
109.02873	1.6
109.06514	7.1
109.10151	8.1
111.04458	3.3
111.08077	8.8
113.05998	1.5
115.05426	2.6
116.19460	1.1
117.07027	9.3
119.05000	2.1
119.08575	24.2
119.09401	1.3
120.08906	1.3
120.17136	1.1
121.06533	4.8
121.10135	11.9
123.08076	7.1
123.11732	2.3
125.09628	11.7
127.03987	1.1
128.06252	2.4
129.06987	12.8
131.08583	16.2
133.06512	2.9
133.10136	13.8
135.08057	6.1
135.11702	6.1
137.09645	3.8
142.07822	2.6
143.08578	3.0
145.06479	1.2
145.10121	9.2
147.08037	6.5
147.11650	10.1
149.09612	8.1
149.13289	3.9
151.11110	1.2
153.09077	1.3
155.08574	1.2
157.10133	10.1
159.11682	4.5
161.09651	3.4
161.13202	1.6
163.11156	7.9
165.09154	2.2
165.12730	2.0
171.10300	1.5
171.11739	3.2
173.13284	1.9
175.11180	11.9
177.12755	2.0
181.12180	1.1
189.11195	6.3
193.12248	27.2
195.13794	2.1
205.12262	2.0
209.11699	2.5
211.13271	35.8
212.13632	2.1
223.13290	16.4
227.12784	11.2
228.07268	1.1
249.14832	3.5
253.14258	1.2
255.15825	2.0
257.19110	1.2
267.15909	22.4
269.17462	5.2
273.18430	13.1
275.20114	7.7
283.15405	14.6
285.16959	35.9
291.19525	100.0
292.19812	6.9
347.22076	2.7
349.23822	5.6
365.23230	36.2
366.23560	4.3
437.24927	1.5
459.27246	1.4
463.26733	3.9
477.28378	17.4
478.28885	1.6
539.34106	1.3
557.34686	29.4
558.34918	3.8
575.35748	47.1
576.36212	5.4
577.12415	1.2
712.39661	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01624	0.8
55.01870	10.0
55.05260	1.2
55.05510	17.3
56.05849	0.7
57.03435	10.2
57.07060	1.6
61.02915	2.7
62.81774	0.8
65.03918	2.3
67.05503	53.3
68.05853	1.1
69.03422	6.9
69.07063	15.8
69.56600	3.0
71.04986	6.7
77.03897	0.8
79.05490	37.1
79.05952	1.8
81.03414	35.1
81.07053	55.5
82.07389	1.0
83.04979	17.8
83.08619	14.7
85.02898	12.7
85.06546	5.2
86.09681	1.2
89.58752	0.7
91.05479	54.5
92.05826	1.4
93.07040	35.7
93.46406	0.7
94.07391	0.8
95.04331	1.0
95.04961	21.1
95.08600	18.4
97.02907	3.8
97.06532	7.5
97.10165	4.2
98.22589	0.7
99.04472	1.0
99.08081	1.4
103.05459	1.5
105.04544	0.8
105.07026	47.0
106.07362	1.6
107.04948	9.7
107.08587	30.0
109.02882	1.0
109.06525	7.8
109.10153	38.0
110.10504	0.9
111.04443	2.6
111.08091	6.3
113.05977	3.5
115.05457	2.7
116.06239	1.0
117.07018	7.7
119.04929	0.9
119.07744	1.3
119.08576	20.8
120.08146	0.9
121.06486	6.6
121.09264	1.0
121.10134	9.5
123.04417	2.1
123.08080	4.3
123.11686	7.5
124.42723	0.7
125.09603	2.7
127.07528	2.3
127.11135	0.7
128.06187	2.2
129.05513	1.1
129.07007	8.9
131.08568	15.4
133.06497	5.6
133.10121	53.2
134.10443	1.4
135.08060	8.1
135.11679	4.1
137.05888	1.0
137.09592	2.3
139.07533	1.1
142.07803	1.3
143.08577	3.7
145.06459	1.0
145.10136	6.4
147.08057	3.6
147.11659	11.1
149.09627	7.5
149.13228	1.5
151.11166	25.6
157.10091	12.8
159.08090	1.9
159.11664	2.8
161.09605	6.6
161.13257	1.8
163.07452	1.0
163.11154	3.5
165.12712	1.5
169.12236	4.7
171.11635	2.2
175.11205	10.4
177.09138	0.9
177.12746	0.9
179.10632	1.2
183.11710	0.9
185.13322	1.8
193.12236	26.1
194.12480	0.9
197.11703	1.1
211.13278	41.1
212.13678	2.5
213.12712	1.2
215.12787	3.2
223.13206	1.9
227.17819	1.4
245.18936	3.8
249.14813	1.1
251.12753	2.7
253.14331	100.0
254.14699	5.4
255.17470	1.9
263.20038	3.4
267.15891	11.1
269.17441	1.2
271.15231	1.7
273.18466	22.3
274.18832	1.4
275.20120	1.7
278.85129	0.8
283.15335	1.7
285.16946	25.0
286.17169	1.1
291.19528	25.0
292.19711	1.8
309.20493	1.7
329.21103	1.1
347.22131	7.7
349.23474	1.0
352.49496	0.8
362.40009	0.9
365.23199	23.2
366.23489	1.4
371.21576	1.0
389.23276	0.8
445.25647	1.8
463.26755	12.1
464.27429	1.2
477.28058	1.3
481.27817	6.9
539.33698	2.4
557.34686	13.1
558.34808	1.9
575.35730	35.8
576.36298	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	772.4833
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38224	1.7
55.01871	6.8
55.05512	25.8
56.02238	1.9
57.03439	14.8
57.07046	2.2
61.02923	3.4
64.04477	1.9
65.03942	2.8
67.05505	73.0
68.05841	2.1
69.03413	3.5
69.07072	19.1
69.99507	2.9
71.01362	3.9
71.04979	8.5
73.02905	1.9
77.03935	2.0
79.05492	60.9
81.03421	26.9
81.07056	70.5
83.01341	2.2
83.04976	12.7
83.08616	12.3
85.02924	9.1
85.06552	5.6
91.05471	31.4
93.07044	64.4
94.07357	2.3
95.04967	13.2
95.08607	51.9
95.09213	2.6
96.08933	2.0
96.59617	1.9
97.02878	8.7
97.06525	11.3
97.10198	8.6
99.04436	4.3
103.05489	1.9
105.07031	21.0
107.04966	16.3
107.08591	34.9
108.08846	1.5
109.06531	10.8
109.10163	16.2
111.04436	23.1
111.08070	5.4
111.11688	2.0
113.06060	2.0
117.07016	16.9
119.08587	24.3
121.06485	8.5
121.10149	25.7
122.10474	2.2
123.08050	8.5
123.11724	3.5
125.05981	4.9
125.09644	5.0
129.07005	4.3
131.08554	17.0
133.10152	11.0
135.08061	4.0
135.11681	25.6
137.05960	2.4
137.09576	4.3
139.07513	3.0
143.08565	2.7
145.10117	29.0
147.08044	3.4
147.11693	6.8
149.09639	4.0
149.13248	7.0
153.12770	8.9
155.08614	2.6
159.11743	7.3
161.13272	4.0
163.11197	26.2
163.14833	2.3
171.11676	2.2
173.09615	7.1
173.13229	4.8
175.14830	2.0
181.12271	4.1
184.07321	6.6
187.14828	2.7
189.11211	3.8
191.10667	10.1
209.11693	14.3
223.13304	14.9
227.12729	11.7
241.14345	27.5
243.21046	2.4
246.39241	1.5
249.18549	1.8
259.15408	2.6
261.22220	11.1
265.14374	4.5
267.15997	1.7
277.21658	2.0
279.23181	2.0
283.15329	17.8
297.16965	3.2
299.23450	2.7
315.18033	47.2
316.18387	4.0
333.24429	1.8
335.25797	100.0
336.26123	10.7
396.68652	1.6
412.17520	1.7
433.30994	2.2
451.32071	2.9
469.33063	3.6
525.35724	9.8
543.36768	54.7
544.37048	6.9
575.39404	75.4
576.39856	14.1
668.93292	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4837
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	9.3
55.05259	2.2
55.05514	31.5
57.03437	17.3
57.07085	3.0
59.05012	4.7
61.02928	5.5
65.03938	7.0
67.05505	90.7
69.03443	5.9
69.07072	31.3
69.22026	4.2
69.22425	8.1
71.01369	5.2
71.05000	11.7
71.08659	2.3
73.02911	2.6
77.03932	1.8
79.05491	81.8
81.03421	38.6
81.07058	100.0
82.07389	2.3
83.01346	2.8
83.04976	24.2
83.08619	20.3
85.02892	13.2
85.06544	8.9
91.05478	49.4
93.07046	78.7
94.07405	2.1
95.01292	1.7
95.04966	19.8
95.08604	66.2
96.08961	4.0
97.02895	15.3
97.04749	1.5
97.06524	18.9
97.07027	1.8
97.10152	9.9
99.04452	2.7
99.08102	2.4
103.05490	3.2
103.47224	1.6
105.04517	1.8
105.07033	27.1
107.04959	23.6
107.08593	48.7
109.06512	13.9
109.10152	25.6
111.04443	46.8
111.08096	8.8
111.11737	2.3
111.58631	1.8
113.06024	3.9
117.07026	18.8
119.08576	30.1
120.09005	2.3
121.06512	11.0
121.10137	36.8
123.08070	11.4
123.11713	5.0
125.05989	12.6
125.09646	6.8
129.07002	8.4
129.11765	1.6
130.07782	3.2
131.04909	3.1
131.08580	24.7
133.10123	11.4
135.08090	7.6
135.11694	36.4
137.05972	2.1
137.09621	5.8
139.07526	3.9
139.11197	1.9
143.08586	4.2
145.06435	3.3
145.10126	36.0
146.10526	2.1
147.08066	5.9
147.11674	9.1
149.09662	4.7
149.13284	5.2
153.12724	13.3
155.08571	5.5
157.10081	2.2
159.11685	6.0
161.13286	6.3
163.11179	45.1
163.14867	3.4
164.11578	1.8
167.57173	1.9
171.11775	2.7
173.09557	9.1
173.13312	5.6
177.13004	1.8
177.16354	2.3
181.12238	7.0
183.11797	2.2
184.07368	2.8
184.36427	1.7
185.13150	1.8
187.14847	2.5
189.11218	3.8
189.16460	2.0
191.10649	11.2
195.13786	2.7
197.13246	2.1
209.11699	17.1
209.13135	1.5
223.13280	29.1
224.13379	1.7
227.12810	11.6
241.14337	52.1
242.14755	3.5
243.21135	3.8
249.97653	1.6
251.20074	1.8
259.20627	3.3
261.22153	10.4
265.14401	4.6
267.15948	2.6
278.26434	1.8
279.23203	2.0
283.15393	26.7
284.15836	1.8
315.18045	66.4
316.18387	4.9
333.24246	2.9
335.25803	95.7
336.26138	7.9
412.85175	1.8
431.31964	2.1
433.30930	4.2
451.31836	5.3
469.32886	3.4
498.85657	1.7
521.72858	1.9
525.35962	10.0
543.36829	64.8
544.37225	11.2
575.39423	57.8
576.39569	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	773.5192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	6.2
55.05512	32.1
57.03437	19.0
57.07073	12.7
61.02935	16.8
65.03948	9.6
67.05506	100.0
69.03423	16.4
69.07071	27.7
71.05000	6.7
73.02927	12.2
76.89341	2.9
79.05490	86.7
80.05826	2.9
81.03427	10.0
81.07056	96.3
83.05004	6.4
83.08631	14.1
85.02891	16.7
91.03954	6.0
91.05476	79.8
93.07042	95.4
93.07612	5.5
94.07425	3.6
95.05003	10.8
95.08606	80.4
97.02897	9.2
97.06536	6.4
97.10191	6.0
99.04460	3.2
99.08084	6.9
105.07026	67.0
107.04943	4.3
107.08592	47.8
109.06558	4.6
109.10132	26.8
111.08093	6.4
117.07010	29.9
119.08577	66.4
121.10146	44.6
123.08073	10.0
123.11710	9.6
127.03925	4.9
129.07010	17.9
131.08560	44.7
133.10130	46.2
135.08061	5.1
135.11676	32.2
137.05995	3.9
141.06927	5.2
142.07811	5.4
143.08562	19.9
145.10118	41.8
147.11676	41.4
149.09601	3.4
149.13283	13.7
155.08571	8.3
157.10100	18.4
159.11679	34.7
161.13275	25.8
163.14886	9.1
164.51308	2.9
169.10158	11.5
171.11641	16.3
173.13242	27.9
174.13554	5.3
175.14853	14.3
177.12886	3.9
181.10115	5.3
183.11742	10.2
185.13190	17.5
187.14822	8.7
195.11655	5.8
197.13329	6.9
199.14865	12.2
201.16449	6.4
209.13185	4.5
213.16475	6.0
227.18134	3.5
239.18028	6.2
241.19481	25.1
257.19144	5.2
259.20554	43.6
260.21014	4.9
261.22186	9.2
271.20660	4.3
315.23041	4.7
333.24271	28.3
335.25772	59.4
336.25964	4.5
337.27533	5.0
367.22681	8.4
385.23737	3.5
519.42023	5.8
529.38324	4.0
537.42944	4.9
547.39514	7.1
593.45435	4.9
611.46747	73.8
612.47052	16.1
701.47272	5.0
728.88300	3.6
737.50311	6.6
755.50317	4.9
773.52179	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	774.4627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	8.1
55.05508	32.3
57.03434	18.7
57.07077	3.2
58.86400	1.0
59.05009	1.7
61.02915	6.6
65.03933	4.7
66.04736	1.3
67.05502	98.9
68.05016	1.6
68.05846	2.1
69.03423	13.5
69.07066	39.1
69.75946	6.6
70.07393	1.6
71.01345	2.3
71.04990	8.1
73.02921	3.8
77.03930	1.2
79.00038	1.1
79.05488	60.1
80.05840	1.9
81.03416	23.8
81.07052	100.0
82.07397	2.3
83.04979	13.4
83.08618	22.8
85.02906	8.7
85.06528	7.3
87.04494	1.1
91.03974	2.5
91.05475	49.9
92.05816	2.2
93.07040	59.8
94.07348	1.8
95.04968	14.1
95.08600	37.6
97.02888	11.9
97.06528	14.0
97.10174	7.2
98.23223	1.4
98.66305	1.3
99.04442	3.5
99.08107	4.1
103.05462	1.4
105.04511	1.5
105.07019	25.2
107.04952	8.9
107.08589	37.3
108.08878	1.6
109.02897	3.4
109.06499	6.3
109.10150	31.7
111.04431	3.7
111.08091	10.9
116.06179	1.6
117.07014	13.6
119.08566	18.0
121.06499	4.3
121.10132	17.7
123.08065	7.2
123.11680	6.1
125.09562	5.5
127.03898	6.9
127.07597	1.4
129.05508	8.7
129.07005	4.6
131.08546	19.3
131.09454	1.7
133.06523	2.9
133.10120	26.8
135.08046	4.3
135.11685	15.5
137.05986	1.8
137.09596	11.1
139.11252	2.0
143.08585	2.7
145.10133	8.0
147.08035	1.6
147.11671	9.1
149.09605	18.4
149.13239	17.8
151.11186	4.6
155.10661	2.8
157.10123	5.1
159.11684	10.9
161.09660	2.5
161.13202	2.3
163.11188	3.7
165.12639	1.7
171.11702	1.8
173.04480	1.9
173.11734	8.1
173.13248	2.9
175.11186	3.4
177.12721	6.4
179.14326	2.0
181.12323	2.0
182.34584	1.3
183.11752	2.3
184.13348	2.2
185.11775	3.1
185.13390	1.3
187.13274	1.6
189.11194	3.4
193.12297	2.4
195.13777	18.8
199.13310	2.0
205.63527	1.2
208.27577	1.3
211.13315	3.0
213.14774	2.1
227.12770	3.1
229.14320	10.7
243.15895	2.8
246.58034	1.3
251.16481	1.4
255.15976	5.1
257.19165	2.1
263.19736	1.5
267.15939	5.3
269.17441	49.9
270.17886	3.0
273.18552	4.7
275.20090	6.7
285.17023	3.1
291.19632	6.6
291.22787	1.6
293.21133	1.6
297.16846	1.7
299.14902	1.9
349.23743	9.5
365.23175	4.9
365.27121	2.5
373.18646	4.0
378.82791	1.3
383.27707	2.3
420.28979	1.7
423.27380	24.6
424.27637	2.0
437.29083	6.0
449.28934	2.2
461.28949	2.1
462.29654	1.8
463.30331	1.8
479.30222	2.2
507.24365	1.3
537.58575	1.3
543.36804	13.3
544.37170	2.4
567.31451	2.7
775.39117	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	774.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	11.4
55.05265	3.6
55.05511	49.1
57.03225	2.6
57.03441	26.1
57.07071	3.6
61.02918	7.9
62.50500	2.2
65.03929	8.5
67.05501	87.2
69.03413	11.0
69.06715	2.6
69.07067	40.6
69.31834	16.7
71.04975	10.1
73.02909	2.9
79.05488	86.6
79.91780	2.2
81.03411	90.3
81.07053	100.0
83.04982	30.9
83.08616	43.4
85.02905	42.1
85.06536	8.6
86.09700	3.7
91.05473	89.2
91.37395	2.2
92.05779	3.8
93.07035	72.2
93.07603	5.1
94.08560	2.3
95.01297	2.6
95.04964	47.7
95.08602	44.1
97.02881	9.6
97.06532	24.5
97.10170	20.2
99.04457	3.3
99.08065	5.3
105.04496	3.5
105.07024	65.1
106.07398	3.2
107.04944	19.9
107.08587	47.2
109.06495	13.5
109.10143	15.3
111.03699	3.1
111.04428	5.4
111.08057	18.4
113.06003	3.9
115.05420	4.1
117.07021	21.0
119.08568	47.0
121.06500	6.4
121.10132	28.8
123.08104	5.3
123.11713	6.9
125.05998	3.0
125.09637	15.1
127.03888	4.4
128.06149	3.2
129.06996	21.5
131.08563	35.3
133.06454	4.6
133.10127	37.5
133.11047	4.3
135.08060	9.5
135.11684	16.1
137.09592	6.4
142.07739	5.4
143.08511	5.1
145.10100	20.5
147.08049	5.2
147.11665	35.5
148.12125	2.8
149.09610	26.9
149.13242	8.7
151.11206	4.3
155.08566	2.8
157.10159	26.7
159.11661	15.3
161.13261	3.5
163.11143	10.0
165.12706	5.4
169.10133	4.2
171.11708	5.8
173.04449	3.8
173.11832	2.6
173.13263	7.3
175.11194	18.4
185.13327	4.2
189.11212	5.4
193.12242	55.0
194.12553	4.1
195.13794	5.6
208.06696	2.5
211.13274	78.5
220.97186	2.4
226.91817	2.5
227.12827	13.1
239.18021	3.1
247.20473	3.3
249.60197	2.5
255.15886	6.5
257.19061	11.4
267.15863	33.6
269.17334	24.3
275.20032	37.5
276.20377	3.2
285.16959	77.9
293.20856	3.1
302.80685	2.4
349.23724	32.7
350.24078	5.9
410.34055	2.6
413.21201	2.8
439.26740	4.3
447.27347	10.9
461.29117	18.1
465.28427	12.3
467.31604	2.7
479.30051	54.7
480.30219	6.7
541.35205	16.3
559.36273	38.2
560.36237	4.9
577.36914	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	774.4636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	8.6
55.05512	32.9
57.03438	25.0
59.10676	2.0
60.78473	1.9
61.02933	3.5
65.03952	4.9
67.05505	80.2
69.03442	9.1
69.07069	28.9
69.59584	1.8
70.58749	6.4
70.97140	1.9
71.05004	8.8
73.02916	2.4
79.05492	65.8
79.05949	3.5
80.18560	2.1
81.03417	78.0
81.07059	87.3
82.07396	2.6
83.04972	22.9
83.08618	35.1
85.02897	29.7
85.06536	4.1
85.82715	1.9
91.03956	3.2
91.05482	64.8
93.07044	68.7
95.04970	31.4
95.08598	35.6
97.02895	5.5
97.06536	13.2
97.10191	7.6
99.04466	2.8
99.08110	5.0
101.46254	2.1
105.07027	46.6
107.04939	12.6
107.08585	35.3
109.06556	11.4
109.10188	12.1
109.62120	2.2
111.04465	4.6
111.08079	15.8
113.06033	3.7
115.05477	3.3
117.07048	12.3
119.08580	38.0
121.06540	4.7
121.10130	20.6
122.10531	2.4
123.08134	6.5
123.11735	4.0
125.09653	3.8
127.03940	4.3
129.07014	16.8
131.08568	29.4
133.06499	4.4
133.10132	29.6
135.08128	4.6
135.11694	16.4
137.09628	4.1
137.34207	2.3
142.07800	3.3
145.10127	10.6
147.11707	27.2
148.12085	2.1
149.09589	14.2
149.13222	12.4
151.11221	4.0
157.10112	19.5
159.11711	10.4
161.13278	3.3
163.11243	7.4
165.12807	5.2
167.08626	2.5
171.11807	2.3
173.04480	2.7
173.13290	6.3
175.11195	13.9
175.60909	2.0
177.12756	3.0
179.14297	2.6
187.11124	2.4
189.11308	2.7
193.12242	44.8
195.13866	7.3
211.13292	73.8
212.13673	3.5
227.12802	3.2
255.15880	10.4
256.59821	2.1
257.19110	4.7
267.15854	32.7
267.18301	2.2
268.16476	2.1
269.17496	45.8
270.17813	2.4
275.20044	25.3
285.16965	53.9
286.17297	4.4
292.20013	6.3
349.23721	18.9
367.24957	4.6
405.28305	10.5
443.27838	2.8
447.27692	6.7
461.28928	33.8
462.29602	3.4
465.28610	18.2
479.30029	89.7
480.30075	10.1
518.36688	11.9
537.69104	2.4
541.35339	8.0
559.36542	14.7
577.37555	4.8
587.32404	3.2
589.40417	7.4
624.34076	2.5
631.45337	4.1
676.47540	2.4
702.48895	4.5
774.47253	100.0
775.48199	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	774.4993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.3
55.05516	24.9
57.03442	22.1
61.02914	2.2
65.03945	4.2
67.05507	78.0
69.03417	3.3
69.07069	15.6
69.25773	13.7
71.04980	4.9
77.03962	1.6
78.19764	2.1
79.05492	58.2
80.06574	1.8
81.03420	100.0
81.07058	74.2
81.34400	1.6
82.03757	2.3
83.04981	4.6
83.08628	22.6
85.06541	2.9
91.04945	3.4
91.05482	43.6
93.07050	59.4
94.07355	2.2
95.04969	31.5
95.08019	3.4
95.08606	49.8
97.02859	2.5
97.06527	3.9
97.10168	8.1
98.22604	2.8
105.07030	34.1
107.04948	7.1
107.08598	34.8
109.06511	5.1
109.10156	21.0
111.04453	1.7
111.08095	5.6
115.05465	2.1
117.07020	8.2
118.23646	1.5
119.08580	28.8
121.06490	5.9
121.10151	26.3
123.04422	3.6
123.08058	4.8
123.11695	4.9
125.09634	5.7
127.28259	1.7
129.06987	12.4
131.08563	26.6
133.10139	16.9
135.08057	2.0
135.11708	14.3
137.09692	2.0
142.07736	3.9
143.08574	2.1
145.10110	11.0
147.08020	4.1
147.11674	11.9
149.09637	5.1
149.13264	7.6
155.08488	2.4
157.10118	12.0
159.11705	8.3
161.13284	4.1
163.11189	2.0
163.14793	3.3
165.12842	1.7
171.11565	1.8
173.13231	5.0
175.11140	9.4
185.13304	2.1
187.14801	3.1
189.11276	3.7
193.12230	21.6
201.16344	2.0
215.18210	1.8
227.12814	4.1
235.13268	2.3
235.16817	1.6
243.21027	4.3
249.14784	2.9
259.20331	1.9
261.22098	19.6
267.15927	84.1
268.16275	6.1
301.25275	4.9
309.16946	3.2
317.24661	3.0
335.25803	73.7
336.26151	6.9
435.32440	4.5
453.33737	5.5
471.34735	4.2
527.37347	45.4
528.37592	5.5
545.38428	30.2
546.38708	4.6
569.37744	2.8
671.41577	2.0
779.11096	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	25.2
57.03431	21.0
57.99935	2.9
58.23385	2.7
67.05502	74.1
67.60881	2.5
69.07062	20.9
79.05488	54.7
81.03410	93.0
81.07049	63.5
82.03784	3.5
83.04980	6.2
83.08614	27.1
85.02897	5.2
89.49391	3.4
90.49284	3.1
91.05478	40.0
93.07037	51.8
95.04962	34.5
95.08599	61.3
97.02911	4.8
97.10160	7.9
98.23418	7.1
98.73185	2.8
105.07037	31.9
107.04980	8.2
107.08582	31.2
108.08931	2.7
109.06493	3.5
109.10140	27.5
111.08081	13.0
112.71671	2.8
117.07020	10.8
119.08568	31.5
121.06499	4.3
121.10126	31.3
123.08057	7.4
123.11691	9.1
125.09616	6.9
129.07002	10.3
131.08562	22.3
133.06477	6.5
133.10141	14.6
135.11681	18.5
137.09641	4.3
137.13280	4.3
141.22037	2.7
142.07805	3.8
143.08560	4.3
145.10144	11.5
147.08057	4.9
147.11649	17.1
149.09656	6.4
149.13242	8.0
155.08609	3.5
157.10109	11.0
159.11609	7.4
161.13261	8.3
163.14792	7.4
171.11559	4.0
173.13326	8.8
175.11192	12.6
175.14847	5.2
182.00929	3.8
187.14857	4.0
189.11298	5.6
193.12209	25.9
197.64056	3.0
212.21359	3.3
227.12807	7.3
229.21342	3.3
243.21109	7.8
261.22128	25.4
262.22525	3.2
267.15897	100.0
268.16364	6.8
301.25229	6.7
309.16998	3.0
335.25790	94.1
336.26266	7.3
435.32507	5.8
453.33371	5.5
471.34381	5.5
527.37354	55.5
528.37531	5.2
541.80249	3.5
545.38483	32.1
546.38580	5.6
616.55316	3.3
635.39569	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	4.5
55.05502	23.4
57.03429	16.3
61.02932	3.7
67.05504	71.3
69.07069	14.2
71.04996	4.6
71.34374	5.8
73.29549	4.0
79.05491	53.0
81.03411	81.9
81.07051	69.6
83.04979	7.4
83.08623	22.9
85.06519	5.2
90.05636	3.9
91.05473	43.2
93.07036	52.0
95.04974	30.9
95.08607	43.5
97.06567	6.5
97.10155	8.7
105.07014	31.1
107.04945	8.4
107.08597	24.6
109.06485	9.2
109.10136	20.1
111.08076	9.7
117.07026	13.4
119.08569	22.6
121.06493	7.4
121.10123	22.2
122.97609	4.8
123.08056	5.5
123.11707	10.5
125.09612	7.2
129.07013	10.9
131.08568	25.8
133.06458	5.7
133.10107	18.8
135.11696	14.5
145.10135	12.6
147.11676	13.0
149.09631	8.9
149.13298	10.1
155.61180	4.1
157.10120	12.0
159.11546	6.4
161.13287	5.1
172.03908	4.5
173.13206	6.0
175.11156	8.5
187.14912	4.7
189.11145	4.7
193.12253	18.6
227.12753	13.6
243.21045	6.7
261.22113	16.1
267.15894	100.0
268.16373	4.9
279.23166	4.7
301.25333	4.9
335.25754	78.8
336.26086	5.5
453.33847	5.0
471.34848	6.0
527.37299	60.0
528.37543	6.9
532.10852	3.8
545.38263	40.5
774.47156	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	775.3872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.6
55.05509	3.7
57.03444	2.0
59.04996	0.4
61.02926	5.7
61.05384	0.3
63.24635	0.3
65.03960	0.5
67.05502	6.1
68.75877	0.3
69.03434	4.7
69.07067	3.9
69.48833	1.7
70.07407	0.4
70.90153	0.3
71.01347	1.0
71.04984	1.5
73.02922	3.7
74.93626	0.3
75.89511	0.3
78.46500	0.3
78.64491	0.3
79.05488	5.2
80.05790	0.3
80.31609	0.3
81.03419	3.6
81.07056	6.9
81.32575	0.3
81.61791	0.3
82.01785	0.3
83.01340	0.8
83.04950	1.6
83.08615	1.9
85.02902	5.9
85.06534	0.5
86.09695	0.6
87.04461	0.5
91.03943	2.6
91.04409	0.2
91.05476	3.9
91.05991	0.4
92.05817	0.4
93.07043	6.1
95.04958	2.1
95.08614	3.3
96.08922	0.3
97.02886	5.3
97.06541	1.2
97.10169	1.9
99.04461	1.2
101.02379	2.1
103.03954	0.3
105.07044	3.1
107.04959	1.5
107.08590	3.8
108.08905	0.4
109.02913	0.9
109.06536	1.1
109.10136	2.0
111.04469	0.5
111.08071	0.8
115.03912	0.7
117.07021	1.3
119.08588	1.8
121.06506	0.8
121.10120	1.4
123.08076	1.4
123.11691	0.4
125.09606	1.6
127.03940	1.7
129.05557	0.4
129.07031	0.9
131.08583	1.3
133.06465	0.4
133.10149	1.6
135.08116	0.8
135.11711	2.0
137.09612	0.4
141.09068	0.3
145.04996	0.4
145.10149	2.2
146.99200	0.3
147.08098	0.9
147.11720	1.1
149.09599	0.6
149.13330	0.6
151.03902	0.4
153.01894	0.3
157.10107	0.7
159.11705	0.7
163.11185	2.2
165.09221	0.3
173.97911	0.3
174.68752	0.3
181.12277	0.5
184.07404	0.9
185.04236	1.0
189.11241	0.3
191.10789	0.4
193.12366	0.3
193.78554	0.3
203.05298	0.4
209.11784	0.6
215.18364	0.3
223.13261	1.7
241.62698	0.3
243.08350	4.0
249.10965	0.5
255.15981	0.5
269.17538	0.7
273.18469	0.5
275.20016	0.6
276.20969	0.3
283.15533	0.4
291.19543	2.6
292.19943	0.4
305.13397	0.3
326.04922	0.3
331.18924	1.2
387.21671	0.7
435.52451	0.3
467.18896	9.3
468.19397	0.9
539.20898	0.4
549.26721	6.3
550.27185	0.7
560.36084	0.5
775.38672	100.0
776.38995	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.2
55.05512	42.5
57.03196	0.7
57.03438	17.4
57.03701	1.7
57.07076	2.3
59.04998	3.2
61.02924	3.6
65.03941	3.4
67.05504	100.0
68.05843	2.1
69.03432	3.8
69.06709	1.4
69.07069	17.7
71.04994	5.1
73.02904	1.6
75.04434	1.0
77.03944	1.0
79.05493	50.9
80.05836	1.9
81.03416	4.8
81.07056	61.1
82.07385	1.5
83.04987	6.5
83.08617	15.8
85.02905	15.1
85.06548	3.2
87.04470	5.4
91.03976	1.0
91.05479	28.3
93.07041	41.6
94.07374	1.0
95.04979	5.8
95.08606	41.5
96.08952	1.0
97.02901	3.9
97.06524	4.5
97.10168	19.3
103.03932	2.3
103.05443	1.0
105.04531	1.0
105.07030	15.8
106.21994	1.0
107.04968	2.1
107.08594	25.8
109.06513	1.7
109.10152	49.7
110.10532	1.1
110.52306	0.9
111.08100	3.5
117.07016	6.8
119.08579	15.9
121.10132	16.1
123.08098	2.2
123.11722	5.5
125.06036	0.9
125.09624	17.8
125.10511	1.2
126.10006	1.0
127.03959	1.0
127.11246	1.1
129.07013	2.4
131.08569	10.4
133.10144	8.2
135.08058	1.9
135.11691	11.6
137.09641	3.2
139.11191	3.0
143.08614	1.8
143.10667	2.6
145.10097	8.2
147.08061	0.9
147.11717	6.4
149.09694	1.8
149.13289	5.0
151.11182	1.2
153.12701	1.1
155.10658	4.3
157.10112	2.2
159.11711	6.8
161.13289	4.1
163.11223	3.9
163.14867	2.6
167.10657	1.1
171.11754	1.9
173.11755	10.9
173.13284	5.3
175.14833	1.4
181.12283	1.6
183.11678	1.0
184.07411	1.0
185.13275	1.8
187.14832	2.3
191.10738	1.6
193.12225	2.3
199.13281	10.7
199.14867	1.2
207.13783	1.2
209.11763	3.4
217.14325	1.8
227.12729	5.5
229.14342	41.1
230.14706	1.2
243.21074	4.5
245.14003	1.8
259.20645	2.0
261.22119	12.0
262.22540	1.4
267.16000	2.7
277.21588	1.0
283.15463	2.6
289.21939	1.0
299.23746	1.1
301.16492	14.6
317.24704	1.6
327.23267	1.1
333.24091	1.3
335.25797	66.4
336.26074	4.9
363.25378	2.2
459.34857	1.1
477.35709	7.6
489.35797	14.4
490.36078	1.7
543.36743	2.0
561.37891	6.2
562.38403	1.2
579.39111	1.0
776.41992	1.7
777.38373	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.5148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.0
55.05510	19.0
57.03439	15.7
57.07069	3.7
64.51722	1.2
65.03931	1.7
67.05501	48.0
69.03474	1.4
69.07061	19.2
69.61722	2.6
69.62114	6.7
70.36194	1.0
70.84071	1.2
71.04987	2.9
71.08628	1.7
79.05488	20.3
81.03415	67.8
81.06573	2.6
81.07053	51.3
82.03746	1.7
83.04967	4.1
83.08611	25.2
85.06537	2.7
91.05470	21.5
93.07042	21.4
95.04967	21.7
95.08602	37.9
97.02879	1.8
97.05962	1.3
97.06554	4.1
97.10155	10.4
98.23267	2.1
105.07018	16.4
107.04960	6.4
107.08592	12.4
109.06528	3.3
109.10149	18.2
111.04501	2.2
111.08095	7.8
111.11707	2.6
117.07030	2.0
119.08587	13.7
120.08949	1.4
121.06511	2.7
121.10126	13.0
123.04485	1.2
123.07967	1.8
123.11713	7.5
125.09664	2.6
129.06995	8.5
131.08554	9.8
133.06532	1.9
133.10117	9.1
135.11678	4.8
137.13223	2.9
145.10107	3.2
147.04436	1.3
147.08055	1.4
147.11658	9.2
149.09630	5.2
149.13251	2.9
150.14619	1.2
157.10112	9.7
159.11644	1.5
161.13240	3.5
163.11124	1.3
163.14816	2.7
165.12704	2.8
171.11710	1.5
173.13240	1.6
174.10100	1.1
175.11198	7.7
175.14842	2.3
184.07431	1.7
185.13173	1.2
189.16295	1.4
191.02437	1.3
193.12225	22.0
223.13348	1.2
224.33224	1.1
227.12781	3.0
235.13257	2.4
245.22708	3.0
249.14935	2.6
263.23792	4.4
267.15897	100.0
268.16266	5.1
273.14981	1.2
303.26840	2.0
309.16873	1.6
325.35342	1.1
335.25537	1.2
337.27341	93.1
338.27728	8.2
338.31335	1.1
435.27591	1.8
437.34061	2.3
455.35001	5.5
456.51907	1.2
473.36365	2.2
501.38461	1.3
511.29898	1.4
529.38849	73.3
530.39282	13.0
547.39917	38.3
548.40186	5.3
553.98401	1.3
561.40735	2.7
571.39740	3.5
673.43384	1.3
765.39496	1.3
776.41949	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	777.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
73.21128	0.5
95.05016	0.6
110.86805	0.6
111.04241	1.2
123.04408	1.1
124.82462	0.6
124.99919	0.7
137.05974	1.3
159.04170	47.3
160.04570	1.1
167.07115	1.0
175.03685	16.4
175.05142	1.0
181.05016	1.6
183.06763	0.6
183.34967	0.6
189.05292	0.8
201.05397	0.6
204.07639	1.4
211.78152	0.6
219.06422	0.8
220.07098	1.7
233.08284	0.7
299.94797	0.6
356.12527	1.6
369.13562	0.8
384.15509	1.8
397.16187	11.1
411.18018	2.1
413.15924	2.2
427.17355	1.9
428.18112	1.1
429.15070	1.1
537.20581	0.7
565.20465	2.2
580.22827	1.5
723.78552	0.7
746.66516	0.7
777.30865	100.0
778.17078	1.3
778.31287	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	777.402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.1
55.05515	2.2
57.03432	1.9
57.55315	0.3
61.02929	4.2
65.03953	0.4
67.05505	3.9
69.03432	2.3
69.07064	1.6
69.08661	2.6
71.01356	0.3
71.04981	1.3
73.02917	3.0
75.38947	0.3
79.05485	3.6
81.03406	3.2
81.07062	5.1
83.04995	1.2
83.08618	1.3
83.33617	0.3
85.02905	4.1
85.06531	0.6
91.03963	2.9
91.05484	4.1
93.07041	4.0
94.07359	0.3
95.04967	1.2
95.08610	2.4
97.02873	4.0
97.06544	0.8
97.10185	0.4
98.23336	0.7
98.97597	0.8
99.04464	1.0
101.02393	1.9
105.07033	2.7
107.04962	0.9
107.08589	2.5
109.02907	1.0
109.06535	0.6
109.10165	1.6
111.08134	0.6
117.07042	0.9
119.08614	1.3
120.08999	0.4
121.06499	0.3
121.10181	0.7
123.08111	1.0
123.11734	0.6
127.03968	1.0
129.07004	0.6
131.08575	0.9
133.10152	1.8
135.11726	1.1
137.05974	0.3
137.09633	0.3
145.04945	0.3
145.10159	1.3
147.11697	0.9
149.09627	0.8
151.03894	0.3
151.11209	0.5
157.10173	0.6
163.11209	1.3
184.07408	1.1
185.04320	0.5
193.12289	0.4
243.08412	2.7
247.66507	0.4
251.12579	0.4
253.14522	0.4
321.05026	0.3
326.42371	0.3
331.19077	0.6
333.20416	0.8
406.06699	0.3
437.09781	0.3
453.21115	0.8
467.18866	5.1
469.20410	4.1
549.26886	1.2
551.28180	2.7
608.11017	0.3
679.33252	0.9
777.40210	100.0
778.40485	16.1
778.55304	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.4
55.05506	2.3
57.03442	2.7
61.02926	6.8
65.03930	0.6
67.05500	5.5
69.03426	4.8
69.07066	3.0
69.49698	1.9
69.50112	0.9
71.04999	1.2
73.02923	4.7
79.05493	4.3
81.03416	4.9
81.07052	6.1
83.04984	1.6
83.08609	2.0
85.02904	6.7
87.04482	1.0
91.03949	3.9
91.05475	5.9
93.07037	3.8
95.04961	2.5
95.08614	4.0
97.02888	5.8
97.06499	0.6
97.10159	0.6
98.23233	0.7
99.04459	1.4
101.02350	2.4
103.03944	0.5
105.07029	4.2
107.04948	2.0
107.08586	2.3
109.02874	1.0
109.06541	1.4
109.10175	2.3
111.08086	0.5
112.79692	0.4
117.07043	1.4
119.08564	2.9
121.10151	1.1
123.08077	1.0
127.03955	1.7
129.07028	1.4
131.08560	2.1
133.10150	3.8
135.08041	0.8
135.11696	0.6
137.09605	0.5
140.46214	0.4
145.10117	0.7
147.11684	1.6
149.02338	0.8
149.09688	1.0
151.11171	0.9
157.10149	0.9
159.11609	0.7
161.09642	1.0
175.11240	1.2
177.12791	0.5
184.07388	1.0
185.04202	0.8
193.12238	2.1
203.05191	0.6
211.13336	0.9
243.08400	3.7
245.37541	0.4
249.10704	0.4
251.12686	1.4
273.18692	1.2
301.08994	1.0
313.17783	0.9
315.10501	0.9
331.15207	0.5
331.18921	1.9
357.15079	0.6
387.21600	0.8
405.22723	0.4
437.17499	0.5
451.19492	1.2
469.20404	8.5
469.26413	0.6
531.25714	3.6
532.26276	0.5
541.23035	1.6
549.26654	5.5
550.26514	0.9
679.32855	3.1
708.33667	0.6
718.08887	0.5
759.39191	13.1
760.39160	1.7
777.40179	100.0
778.40601	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	777.403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.8
55.05513	3.0
57.03440	1.7
61.02928	4.4
63.21367	0.3
67.05503	4.1
68.05842	0.4
69.03429	3.7
69.07067	2.7
69.19901	0.8
69.20315	1.5
71.01344	0.4
71.04999	0.7
73.02917	3.8
75.41963	0.3
79.05490	4.3
81.03404	3.5
81.07050	4.3
83.04993	0.8
83.08619	1.7
85.02901	5.5
91.03963	2.5
91.05470	3.2
93.07050	2.6
95.04977	1.8
95.08595	1.7
97.02891	5.1
97.06536	0.6
97.10162	1.8
99.04449	0.8
101.02375	1.9
105.07027	1.9
107.04967	0.8
107.08604	2.0
109.02901	0.9
109.06512	0.5
109.10155	1.4
111.04465	0.4
111.08130	0.3
115.03953	0.3
117.07017	0.7
119.08595	2.2
121.09338	0.3
121.10123	1.3
123.08086	0.5
125.09650	1.5
125.24133	0.3
127.03954	1.0
129.07037	0.8
131.08594	1.2
133.10138	0.9
135.08086	0.5
137.05995	0.3
142.24886	0.3
145.10181	0.4
147.08078	0.5
147.11702	0.9
149.09691	0.3
157.10153	0.5
163.09851	0.3
163.11194	0.4
175.11209	0.5
175.14737	0.3
184.07379	0.8
185.04306	0.7
189.11197	0.3
193.12288	1.0
205.12196	0.3
223.13303	1.5
243.08394	3.4
251.12524	0.7
259.08075	0.5
291.19568	1.9
301.09030	0.5
307.15186	0.4
331.18768	1.2
467.18732	0.7
469.20432	5.2
470.20691	0.4
540.87476	0.3
541.22021	0.4
549.26703	7.6
550.27057	0.7
551.28027	0.4
584.69073	0.3
679.33142	0.3
777.40210	100.0
778.40540	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	777.4389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.6
55.05511	1.6
57.03457	1.6
57.07071	0.5
61.02926	4.5
65.03939	0.5
67.05504	6.7
69.03436	3.5
69.07073	1.6
71.01334	0.6
71.04985	0.7
71.31852	0.5
73.02920	4.1
79.05489	4.2
80.67770	0.3
81.03419	1.5
81.07056	5.7
82.07446	0.4
83.05000	0.7
83.08614	1.1
83.64921	0.3
85.02917	5.2
87.04447	0.7
91.03942	2.7
91.05478	2.9
93.07044	4.9
95.04962	1.3
95.08597	4.4
97.02898	5.3
97.06541	0.5
97.10147	0.6
99.04472	0.8
101.02381	1.1
105.07031	1.4
107.08593	2.9
109.02882	0.8
109.06529	0.8
109.10159	1.4
111.04448	0.6
117.07020	1.0
119.08611	2.0
121.06552	0.5
121.10136	1.8
123.11718	0.6
125.09636	0.6
127.03935	1.2
129.60741	0.3
130.82213	0.4
131.08556	1.0
133.10130	0.9
135.11719	1.3
145.10141	1.1
147.11691	0.5
149.13255	0.5
161.13220	0.4
163.11220	1.1
173.09697	0.3
184.07404	0.9
185.04266	0.4
209.11729	0.6
215.96695	0.4
223.13367	0.6
229.14218	0.5
231.34207	0.3
243.08394	1.8
266.74606	0.3
281.13577	4.7
282.13855	0.7
291.19604	0.4
302.63824	0.4
302.67194	0.3
307.22760	0.8
335.25916	0.8
337.16370	0.5
337.27225	0.6
455.60742	0.4
465.19812	0.4
499.21481	3.6
500.21869	0.5
516.36884	0.3
519.29315	7.0
520.29541	0.6
700.00031	0.4
745.43134	0.5
777.43829	100.0
778.44116	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	777.4389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.6
55.05511	1.6
57.03457	1.6
57.07071	0.5
61.02926	4.5
65.03939	0.5
67.05504	6.7
69.03436	3.5
69.07073	1.6
71.01334	0.6
71.04985	0.7
71.31852	0.5
73.02920	4.1
79.05489	4.2
80.67770	0.3
81.03419	1.5
81.07056	5.7
82.07446	0.4
83.05000	0.7
83.08614	1.1
83.64921	0.3
85.02917	5.2
87.04447	0.7
91.03942	2.7
91.05478	2.9
93.07044	4.9
95.04962	1.3
95.08597	4.4
97.02898	5.3
97.06541	0.5
97.10147	0.6
99.04472	0.8
101.02381	1.1
105.07031	1.4
107.08593	2.9
109.02882	0.8
109.06529	0.8
109.10159	1.4
111.04448	0.6
117.07020	1.0
119.08611	2.0
121.06552	0.5
121.10136	1.8
123.11718	0.6
125.09636	0.6
127.03935	1.2
129.60741	0.3
130.82213	0.4
131.08556	1.0
133.10130	0.9
135.11719	1.3
145.10141	1.1
147.11691	0.5
149.13255	0.5
161.13220	0.4
163.11220	1.1
173.09697	0.3
184.07404	0.9
185.04266	0.4
209.11729	0.6
215.96695	0.4
223.13367	0.6
229.14218	0.5
231.34207	0.3
243.08394	1.8
266.74606	0.3
281.13577	4.7
282.13855	0.7
291.19604	0.4
302.63824	0.4
302.67194	0.3
307.22760	0.8
335.25916	0.8
337.16370	0.5
337.27225	0.6
455.60742	0.4
465.19812	0.4
499.21481	3.6
500.21869	0.5
516.36884	0.3
519.29315	7.0
520.29541	0.6
700.00031	0.4
745.43134	0.5
777.43829	100.0
778.44116	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	778.5303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	1.7
55.05512	16.9
57.03432	14.7
57.07084	7.9
60.08158	1.5
61.02924	1.3
67.05503	25.7
69.03432	2.2
69.07067	24.7
71.04994	3.5
71.08640	5.3
79.05492	15.1
81.03415	67.3
81.07054	27.2
82.03771	1.2
83.04984	4.2
83.08617	31.9
85.06532	2.3
85.10181	2.5
86.09725	5.8
90.08807	1.0
91.05484	12.1
93.07043	14.8
95.04971	18.9
95.08601	21.0
97.02907	1.5
97.06531	4.4
97.10175	12.2
98.22567	3.3
105.07020	9.1
107.04954	4.4
107.08588	9.8
109.06535	2.9
109.10147	10.2
111.04469	2.1
111.08060	5.6
111.11715	2.3
119.08581	10.9
121.06490	2.6
121.10129	11.2
123.04408	1.2
123.11697	4.2
125.00026	3.0
125.09669	2.4
127.18652	1.0
129.06999	6.6
131.08597	6.7
133.06497	1.7
133.10117	3.8
135.11684	6.3
137.09586	2.0
139.11121	1.8
142.07828	2.0
145.02838	1.0
145.10123	1.9
147.08058	3.2
147.11684	8.3
149.09589	2.7
149.13223	2.0
157.08932	1.5
157.10106	8.1
161.13341	1.1
163.11118	1.8
163.14850	1.6
165.12709	1.4
175.11198	6.9
184.07346	14.9
193.12234	22.0
211.13307	2.3
228.91063	1.2
246.20010	1.3
249.14861	2.1
265.25253	1.9
267.15903	100.0
268.16272	4.3
309.16870	1.8
313.27475	1.3
339.28931	91.2
340.29254	5.3
349.75424	1.1
363.87088	1.0
457.36588	3.7
459.25592	1.1
467.37506	1.4
531.40454	72.7
532.40564	10.4
549.41571	12.6
550.41962	2.1
573.41418	2.3
624.97467	1.2
635.62701	1.1
778.53986	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	778.5372
Annotation	PC(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))
Peak:m/z	Relative Intensity
54.15119	0.1
56.05042	0.8
58.06633	0.4
59.07384	0.1
60.08162	6.3
64.03499	0.1
65.47023	0.1
65.47690	0.1
66.92212	0.1
67.05505	0.3
67.64906	0.1
69.28917	0.2
69.29324	0.5
70.06578	0.1
71.07372	3.9
79.05489	0.2
81.07050	0.2
86.09704	31.2
87.10038	0.3
93.07028	0.2
95.08606	0.1
98.23284	0.2
98.98463	3.8
98.99104	0.2
104.10744	2.2
104.11268	0.1
125.00000	21.8
126.00365	0.2
143.01085	0.2
184.07336	100.0
185.07707	1.5
216.31891	0.1
233.25871	0.1
319.83292	0.1
339.13049	0.1
366.00818	0.1
518.32324	0.2
593.41028	0.1
660.43225	0.1
778.53381	1.2
779.53601	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.5397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.6
56.05067	1.2
60.08158	7.4
67.05487	5.9
69.07061	1.5
69.23045	2.4
69.23447	6.1
71.07381	4.3
79.05500	2.2
79.82851	1.1
81.07069	4.7
86.09705	34.2
91.05491	2.6
93.07043	4.1
95.08617	3.9
97.06545	1.2
98.98489	4.1
104.10765	2.6
105.07014	1.1
105.81477	1.0
106.00796	1.0
107.08598	2.1
109.10221	1.2
121.10107	1.1
125.00001	24.2
133.10152	2.2
135.11676	1.3
175.14891	1.0
184.07344	100.0
185.07721	1.4
321.24149	1.3
335.25613	2.4
783.16772	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.8
55.05515	1.2
55.83290	0.4
56.34582	0.3
57.03432	2.1
61.02927	4.3
61.11145	0.3
65.03914	0.4
67.05507	4.2
69.03430	2.7
69.07072	1.1
71.01357	0.4
71.04995	1.0
73.02921	3.3
79.05492	3.6
81.03420	4.6
81.07060	4.5
83.04997	1.1
83.08641	1.2
83.74258	0.3
85.02902	5.3
91.03952	2.1
91.05475	3.5
92.01760	0.3
93.07046	3.4
95.04981	1.4
95.08610	1.8
97.02900	3.6
97.06555	0.6
98.23322	0.9
99.04461	1.1
101.02399	1.4
104.99502	0.3
105.07017	2.9
107.08624	1.4
109.02882	0.7
109.06518	0.7
109.10158	0.8
111.04445	0.4
111.08095	0.4
113.06019	0.4
115.04002	0.4
117.07054	0.7
119.08562	2.2
121.10184	1.1
123.08099	0.4
127.03929	1.3
129.07019	0.7
131.08583	0.9
133.10143	1.4
135.11702	0.6
145.10176	0.4
147.11766	1.2
149.09602	0.6
157.10159	0.9
159.11638	0.5
171.08372	0.3
175.11261	0.9
184.07446	0.4
185.04288	0.5
193.12276	1.1
203.05244	0.4
203.29004	0.3
211.13348	0.5
213.37650	0.3
243.08400	2.7
251.12648	0.6
307.15155	0.4
326.17068	0.3
333.20236	1.9
389.23615	0.3
439.19394	0.7
453.21204	0.8
469.20404	11.3
470.20984	1.0
551.28204	4.0
681.34821	0.8
689.40240	0.4
779.41791	100.0
780.42108	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	779.4182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.6
55.05510	1.6
57.03445	2.2
61.02925	5.2
67.05506	4.0
69.03428	2.7
69.07072	1.9
69.35258	0.4
69.72824	1.8
71.01363	0.6
71.04972	1.0
73.02905	4.0
79.05489	4.2
81.03419	3.9
81.07059	4.9
83.04984	1.1
83.08634	1.1
85.02906	6.1
91.03967	3.1
91.05486	4.5
93.07048	3.1
95.04989	1.7
95.08601	2.0
97.02888	5.1
97.06544	0.7
97.10151	1.0
98.23291	0.6
99.04460	0.7
101.02379	2.3
105.07036	2.4
107.04950	0.5
107.08595	1.5
109.02885	0.6
109.06543	0.7
109.10173	0.5
115.03954	0.5
117.07008	0.6
119.08604	2.3
121.10153	1.3
125.79944	0.4
127.03946	1.2
129.06992	1.0
131.08565	0.9
133.10152	1.8
135.11758	0.6
145.10136	0.5
146.53894	0.4
147.11685	1.1
149.09592	0.5
149.13353	0.6
157.10184	1.0
175.11263	0.5
184.07390	0.8
185.04268	0.7
193.12276	1.1
201.24400	0.4
203.05373	0.5
211.13290	0.5
220.73567	0.4
243.08426	2.8
251.12642	1.2
275.20074	0.5
291.67883	0.5
307.15131	0.5
333.20435	1.9
439.19525	0.8
453.20859	0.9
469.20447	8.2
470.20877	1.0
551.28296	2.9
681.34631	1.2
764.70355	0.6
779.41803	100.0
780.42206	19.5
800.05988	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	1.6
55.05495	2.9
57.03432	3.1
61.02934	7.2
67.05509	6.6
69.03421	4.2
69.06795	9.8
69.07115	1.9
69.08873	1.2
71.04984	1.5
73.02924	5.8
73.03245	0.9
79.05495	4.4
81.03414	4.1
81.07053	6.3
81.92901	1.0
82.02002	0.9
83.01083	1.2
83.04983	1.3
83.08618	3.0
85.02900	6.4
85.06537	1.2
86.09711	1.8
87.04475	1.1
91.03967	5.2
91.05471	3.5
93.07049	4.7
95.04990	1.7
95.08633	3.6
96.31638	1.1
97.02881	6.6
99.04430	1.6
101.02382	1.4
107.08601	3.4
109.10153	1.7
113.09620	0.9
115.32502	1.0
117.07030	1.4
119.08600	1.5
123.11697	1.3
125.09631	1.2
127.03931	4.3
129.05467	3.3
129.06920	1.0
131.08580	1.8
133.10141	3.0
135.11702	4.9
145.10048	1.6
147.11688	1.6
149.13211	2.6
157.08577	1.2
181.04837	1.2
184.07382	2.3
185.04234	7.5
185.11766	1.2
197.83078	1.0
201.03752	2.5
203.05280	1.4
221.11552	1.5
223.13272	1.3
235.13066	1.8
243.08382	7.4
259.07993	1.5
301.08887	10.9
303.15845	1.9
315.10413	4.9
329.12268	2.2
357.15210	1.4
361.88406	1.1
369.15158	2.9
371.16763	6.7
373.11099	6.8
385.18521	5.0
387.12244	1.3
401.13931	2.0
413.17871	2.8
425.21390	5.5
429.17355	4.1
439.19504	10.9
443.18658	2.3
453.21045	10.5
457.20667	1.5
469.20370	3.7
481.20364	6.1
483.22055	3.5
484.22672	1.5
485.19864	2.4
489.27637	1.5
497.23914	2.0
511.21552	4.6
513.26801	1.2
523.26105	1.2
525.23254	3.2
537.23114	1.2
540.29254	1.3
549.26520	1.5
553.22491	3.9
553.29858	1.7
566.49512	1.2
567.31415	100.0
568.31732	11.0
579.32043	1.8
609.28534	1.7
621.32056	4.5
622.32843	4.1
625.32288	1.4
635.34302	3.3
636.34991	1.5
651.33466	29.0
652.33679	3.8
665.34631	1.5
693.34583	9.8
694.34625	1.4
733.41302	23.8
734.41541	2.8
761.40497	4.8
777.40375	11.5
778.40680	1.8
779.41583	40.8
780.42175	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.5
55.05508	2.9
57.03428	2.9
57.07084	0.8
60.73017	0.7
61.02922	6.8
61.47385	0.8
65.44751	0.7
67.05503	7.1
69.03417	3.5
69.07065	2.5
69.22417	5.5
71.01374	1.0
71.04969	1.2
73.02914	5.3
79.05489	5.2
81.03419	3.6
81.07058	8.3
82.06579	2.2
83.01104	1.0
83.04967	1.4
83.08614	2.5
85.02892	6.9
86.09692	5.7
91.03953	5.5
91.05491	2.9
93.07040	7.2
94.07429	0.7
95.04967	1.9
95.08610	2.8
97.02888	7.0
97.06529	2.0
97.10149	0.8
99.04449	1.0
101.02394	1.8
105.07057	1.7
107.04980	0.8
107.08598	3.4
109.02850	1.9
109.10175	2.6
111.08093	0.9
117.07024	1.2
119.04981	0.7
119.08586	2.0
120.08119	1.4
121.10161	1.7
125.09689	1.1
125.10690	0.7
127.03915	3.0
129.05461	1.5
131.08577	1.6
133.10141	2.5
135.11696	2.1
137.09622	0.7
145.04939	1.1
145.10129	1.5
149.13263	3.0
153.10245	2.7
154.15857	0.8
159.11751	1.2
177.12743	0.8
181.04745	1.8
181.09746	4.1
184.03479	0.8
184.07297	0.7
185.04219	6.0
188.14149	0.8
195.06380	0.9
195.13889	1.2
199.05785	1.2
201.03735	2.2
203.05296	1.1
204.57874	0.8
223.13339	0.8
229.14178	0.7
235.12987	3.1
239.78276	0.7
241.06941	0.7
243.08398	5.8
251.12515	1.1
261.14694	2.7
263.12689	0.9
269.17316	1.0
275.16272	1.1
291.10852	0.7
291.15820	0.9
294.18140	2.8
301.08896	14.4
303.19199	0.7
305.17307	1.5
315.10309	3.5
327.10553	1.1
333.16608	3.3
341.12347	0.8
351.17770	1.9
371.16855	1.6
373.10983	6.5
379.17392	1.4
383.16852	2.6
385.18390	7.7
386.18750	0.8
387.12485	1.6
407.26599	3.3
413.18005	3.4
415.16025	1.0
417.26141	2.3
425.21475	2.3
429.17313	1.9
439.20120	1.4
443.18881	8.2
453.20911	21.2
454.21326	2.4
457.20456	1.8
463.26505	1.3
469.20505	5.2
469.26422	0.8
471.21841	1.4
481.20340	5.2
483.22101	3.4
484.22806	1.2
497.64355	0.8
512.22205	2.6
520.35181	2.0
525.22943	9.0
527.28247	1.9
539.24536	1.8
553.27673	1.3
567.31781	4.9
568.31580	1.4
581.29333	1.2
595.31061	4.2
596.31653	2.3
607.34387	2.8
623.33185	1.6
625.31946	6.7
626.32306	1.1
651.33740	6.1
652.34308	1.1
681.32593	1.1
693.34540	47.2
694.35059	7.0
733.41052	4.1
740.97375	0.8
761.40363	4.0
762.41827	1.0
779.41467	100.0
780.41644	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	3.2
60.08150	2.3
61.45945	1.0
63.69039	1.0
65.56432	1.0
67.05510	4.4
69.07063	2.0
69.24806	8.6
71.07358	2.3
71.30698	1.0
79.05488	2.7
81.03458	1.2
81.07053	4.8
83.08610	1.6
86.09704	13.1
86.80995	1.0
87.10027	1.6
91.05457	1.7
93.07045	3.4
95.05022	1.0
95.08624	4.1
95.70377	1.1
97.10176	1.6
98.98471	1.9
107.08572	2.6
109.10199	2.8
121.10117	1.9
124.99993	10.9
131.08505	1.1
133.10194	1.7
135.11734	1.7
145.02899	1.6
145.10077	1.5
177.05469	3.6
184.07341	47.3
185.07719	4.3
194.01823	1.2
229.14426	1.3
339.29053	1.9
385.47665	1.1
490.63452	1.1
779.43188	100.0
779.54340	5.0
780.43518	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	779.4541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.6
55.05512	1.1
57.03437	1.8
59.35314	0.3
61.02926	5.9
67.05507	5.4
69.03424	3.9
69.07069	1.1
69.25312	2.7
71.01324	0.3
71.04992	1.4
73.02923	3.7
73.56783	0.4
79.05489	4.1
81.03421	2.5
81.07056	4.9
83.04977	0.6
83.08637	0.7
85.02899	6.0
87.04475	0.5
87.59664	0.3
91.03961	3.5
91.05482	2.5
93.07046	3.6
95.04964	1.1
95.08606	3.4
97.02896	4.9
99.04462	1.0
101.02357	1.8
103.03951	0.5
105.07021	1.7
107.04962	0.4
107.08582	1.7
109.02905	1.0
109.06558	0.4
109.10123	1.5
115.03941	0.7
117.07078	0.5
119.08608	1.3
121.10119	2.0
123.08100	0.4
127.03902	1.8
131.08575	1.6
133.10143	1.0
135.11719	0.9
138.72610	0.3
145.04993	0.4
145.10088	0.5
147.11676	0.9
149.09648	1.4
157.10172	0.4
175.11200	0.4
185.04257	0.7
193.12328	0.5
203.05359	0.3
220.94518	0.3
243.08423	2.1
283.15149	4.6
335.25851	0.6
339.17773	0.5
501.23007	7.1
502.23553	0.4
519.29224	8.2
519.36395	0.6
520.29718	1.2
551.69843	0.3
720.41827	0.3
730.73682	0.4
779.45441	100.0
780.45825	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	780.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.6
55.05500	2.8
59.04997	1.1
60.03483	1.2
61.02926	1.6
62.69191	1.1
65.03931	4.8
67.05495	4.1
69.03423	3.2
69.07076	2.5
71.32281	1.1
78.04700	1.4
79.05511	5.6
81.03398	3.3
81.07060	6.8
83.04978	3.9
85.02901	3.5
87.76633	1.1
88.61518	1.0
91.05491	11.1
93.03397	5.4
93.07050	6.0
95.04967	5.1
95.08603	4.2
97.02857	2.0
97.06541	1.7
103.05465	8.8
105.07034	8.5
106.04182	8.3
107.04960	27.9
107.08585	4.7
109.02859	2.8
109.06490	2.7
109.10149	3.3
111.04448	3.0
115.05471	3.7
117.07030	1.3
118.04137	1.0
119.04929	2.1
119.08614	3.5
121.06492	11.3
121.10155	3.3
122.03669	1.4
123.04427	3.7
123.08072	1.5
125.05991	11.8
127.03896	2.3
127.07597	1.4
128.06204	1.7
129.07021	3.4
131.04933	6.1
131.08560	13.9
132.08954	1.1
133.06477	4.5
133.10118	3.0
135.04425	1.3
135.08044	3.6
135.11736	1.7
136.06203	1.5
137.05969	23.9
137.09634	2.5
139.03893	1.2
141.06975	2.1
143.08524	2.2
144.05698	2.1
145.06505	2.1
145.10161	2.6
146.07437	1.3
147.04419	2.8
148.05197	1.7
149.05983	21.1
151.03943	10.0
151.05087	1.5
151.07460	7.0
153.01869	1.2
153.05438	8.5
153.09100	5.3
155.07018	1.4
157.06520	1.3
159.08054	33.7
159.11700	1.3
160.08322	1.3
161.05959	6.5
161.09602	1.9
163.03900	4.3
163.07542	33.3
163.11201	1.7
164.08104	2.3
165.07063	2.7
165.09108	4.5
167.07066	10.5
167.08426	1.5
169.06485	3.8
171.08061	2.0
173.06049	1.4
175.03918	1.5
175.07550	3.3
177.05504	15.3
178.07704	1.3
179.07059	3.2
179.08571	2.0
179.10597	1.4
179.22777	1.1
181.04955	10.9
181.06287	1.5
181.08560	11.5
182.07280	1.2
183.07928	1.2
187.07474	2.5
188.08372	1.6
188.49690	1.2
189.05499	3.4
189.09087	4.1
191.07021	3.3
191.10683	18.2
192.07668	1.2
193.08617	10.0
193.10167	3.2
195.06519	1.7
195.08075	6.1
195.09807	1.2
196.08879	1.2
197.05986	3.5
197.09619	9.3
198.06691	1.5
201.09126	2.8
203.10634	6.5
203.18079	1.3
204.07764	2.3
205.08681	2.2
207.08176	1.9
207.10062	1.5
209.08076	73.0
210.06729	1.8
210.08504	3.4
211.07559	2.2
212.08104	2.5
213.09192	2.3
214.06218	5.7
219.10165	36.6
220.10571	1.9
221.09570	5.1
221.11711	5.0
222.10130	1.4
223.07550	3.7
224.08340	2.2
225.05475	3.9
225.09157	12.0
226.06232	2.8
226.09747	2.4
227.03366	3.1
227.07054	1.8
227.10667	3.4
227.12790	1.9
228.11459	1.6
229.08591	8.3
235.07562	1.8
237.09203	2.5
238.09848	5.5
239.07054	1.5
239.10727	5.7
240.07841	4.7
241.08571	9.7
242.05740	7.8
242.09323	1.7
248.08295	2.6
249.09157	3.7
251.07048	1.8
253.08627	3.4
253.12230	9.0
255.10132	8.9
256.07318	1.3
256.10858	2.6
257.08078	8.7
257.11691	10.1
263.10751	4.9
265.08517	2.4
265.12219	2.2
266.09262	1.4
267.10248	2.4
269.08133	2.2
270.05261	3.5
271.09589	2.2
277.08600	2.0
280.11020	2.0
281.11786	8.7
282.12567	5.3
283.09595	3.6
284.10367	2.6
285.07565	19.3
285.11108	4.4
285.14822	4.4
286.08014	2.2
291.10101	3.2
294.08664	1.4
295.10141	1.1
295.13132	5.9
298.11850	2.5
299.09137	9.2
300.09442	3.0
303.04959	2.6
308.10629	1.2
309.11078	5.6
311.09094	2.7
312.09766	3.0
313.10648	2.8
313.14322	57.0
314.14746	6.0
315.12262	43.6
316.12640	2.3
323.12784	8.1
341.13837	100.0
342.14111	8.9
355.15378	9.4
356.15793	1.9
357.16943	4.2
373.16464	27.2
374.16678	2.8
375.17749	1.4
463.10309	1.4
586.28680	2.2
780.37927	11.0
781.42377	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	781.434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.7
55.05515	2.1
57.03440	2.9
61.02927	5.6
67.05502	6.4
69.03432	3.8
69.07076	2.0
69.16339	3.6
71.01367	0.6
71.04984	0.8
72.38873	0.4
73.02916	3.6
79.05490	4.8
81.03404	1.9
81.07055	5.6
83.04973	1.2
83.08634	1.2
85.02909	5.1
85.06582	0.5
86.09694	0.5
88.38156	0.4
91.03960	3.4
91.05476	3.0
93.07050	5.8
95.04961	0.9
95.08610	4.2
97.02896	5.1
97.06580	0.5
97.10206	0.4
98.22572	0.8
99.04460	0.8
101.02398	1.5
103.03973	0.5
105.07014	2.7
107.08588	3.2
109.02904	0.9
109.10167	2.0
111.04394	0.4
117.07014	0.7
119.08559	1.9
121.10133	3.1
127.03909	2.0
131.08554	1.1
133.10156	1.3
135.11678	1.8
137.09627	0.6
145.04930	0.6
145.10162	0.8
147.11740	0.6
148.84131	0.4
163.11192	0.5
184.07338	2.7
185.04280	0.6
189.09152	0.4
203.05305	0.4
209.22124	0.4
221.07820	0.4
243.08467	1.8
267.12039	1.0
268.48160	0.4
285.10260	0.6
285.13013	2.3
335.25623	0.5
439.19635	0.5
443.19168	0.6
485.19876	2.9
503.20944	2.3
519.29321	6.0
651.33960	0.4
693.33539	1.0
721.41290	0.6
735.42017	0.7
763.42426	8.2
764.42987	1.4
781.43097	100.0
782.43420	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	781.434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.5
55.05511	1.3
57.03431	2.1
57.07058	0.3
59.05005	0.4
61.02926	6.2
65.03942	0.4
67.05503	7.4
69.03429	3.5
69.07060	1.1
69.61306	1.6
71.01352	0.4
71.04987	0.8
73.02918	4.3
77.39342	0.3
79.05484	3.2
81.03430	1.4
81.07049	4.2
83.04978	0.4
83.08623	1.1
85.02905	6.8
86.09692	0.4
91.03950	4.5
91.05479	1.7
93.07043	3.3
95.08607	3.8
97.02885	5.2
97.06522	0.5
99.04465	1.1
101.02378	2.0
103.03968	0.6
105.07014	1.4
107.08569	2.2
107.10246	0.2
109.02892	1.0
109.10152	5.5
111.04456	0.4
115.03918	0.3
117.07006	0.5
119.08586	1.3
121.10152	1.5
123.11711	0.6
125.00005	0.4
125.09648	0.4
127.03931	1.9
131.08588	0.9
133.10147	0.6
135.11682	0.9
137.09628	0.3
145.04958	0.7
145.10124	0.4
147.11699	0.4
159.04399	0.3
161.13231	0.3
163.14920	0.3
173.11768	0.9
184.07375	0.8
185.04237	1.0
187.96260	0.3
195.09984	1.2
203.05241	0.5
229.14476	0.5
243.08385	2.5
289.03513	0.3
335.25854	1.0
337.57315	0.3
364.18243	0.3
413.17776	5.0
444.00146	0.3
519.29291	10.8
520.29401	1.3
529.35248	0.4
691.40222	100.0
692.40552	17.0
735.42670	0.7
763.42004	1.1
781.42175	8.2
781.56702	1.8
782.43152	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.5
55.05505	1.5
57.03438	1.3
57.65921	0.4
59.05000	0.4
61.02917	4.9
67.05502	8.9
67.71189	0.4
69.03423	2.5
69.07066	1.2
70.87828	0.4
70.88139	0.6
71.01342	0.6
71.04985	0.5
72.09522	0.4
73.02919	3.2
74.14603	0.4
79.05484	3.1
81.03424	1.6
81.07057	4.4
83.08630	0.9
85.02900	5.2
91.03951	2.9
91.05491	2.2
93.07051	2.9
95.04984	0.5
95.08601	2.6
97.02891	4.1
99.04465	1.1
101.02362	2.0
103.03966	0.5
103.59793	0.4
105.07049	1.0
107.08580	1.9
109.02877	0.9
109.10143	7.7
115.03918	0.6
119.08571	0.9
121.10165	1.3
127.03945	1.8
131.08580	1.2
133.10188	0.5
135.11705	0.6
137.09593	0.6
145.10071	0.6
149.13304	0.4
155.10643	0.7
173.11723	2.1
184.07436	1.2
185.04269	0.9
185.07819	0.4
195.09935	1.0
209.11795	0.6
229.14465	1.3
236.15086	0.5
243.08485	2.2
365.65326	0.5
372.46509	0.5
413.17792	12.5
414.18311	0.8
455.00623	0.4
519.29413	5.9
520.29541	0.7
691.40210	100.0
692.40540	13.2
735.42926	1.3
763.42450	1.1
781.42462	10.2
781.55145	1.7
782.43219	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.7
55.05511	1.6
57.03428	2.5
61.02927	8.6
65.03943	0.6
67.05505	7.0
69.03425	4.4
69.07082	1.9
71.01350	0.9
71.04988	1.0
71.32603	0.6
73.02919	6.2
79.05491	4.7
81.03410	2.6
81.07054	6.0
83.05003	1.1
83.08633	1.0
85.02909	7.3
85.06581	0.4
86.09715	0.6
87.04479	0.6
91.03961	3.9
91.05470	3.2
93.07047	5.6
95.04976	0.6
95.08607	4.7
97.02890	5.9
97.06541	0.7
99.04456	1.1
101.02376	2.6
101.91517	0.3
103.03922	0.7
105.06374	0.3
105.07054	1.6
106.11470	0.4
107.08585	2.9
109.02895	1.1
109.10155	1.9
115.03933	0.6
117.07035	0.6
119.08597	2.1
121.10113	2.8
123.11710	0.6
127.03922	2.5
129.05482	0.4
131.08580	1.6
133.10158	0.9
135.11717	1.6
145.04968	0.4
145.10146	0.8
147.11641	0.7
149.13300	0.8
159.11690	0.6
171.11667	0.4
173.09721	0.4
184.07343	1.6
185.04298	1.0
203.05278	0.6
243.08408	2.7
252.95660	0.4
254.07542	0.4
261.22260	0.6
267.12042	1.1
285.13065	2.7
335.25839	1.2
439.19556	0.4
485.19800	2.2
503.21060	1.2
519.29327	8.6
520.29962	0.5
717.41846	1.1
735.42212	0.6
763.42462	8.4
764.42889	1.1
781.43243	100.0
782.43622	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	781.4346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.6
55.05514	1.4
57.03445	1.9
57.07088	0.2
58.06579	0.2
59.04995	0.7
60.08161	0.2
61.02928	5.8
65.03931	0.3
67.05508	9.3
69.03432	3.3
69.07077	1.2
69.20349	0.5
69.20768	1.1
71.01366	0.5
71.04996	0.8
73.02917	4.0
75.04494	0.2
79.05495	2.8
81.03416	1.2
81.07059	4.1
81.07507	0.3
83.01323	0.2
83.04990	0.2
83.08603	0.9
83.52638	0.2
85.02907	5.7
85.06544	0.2
86.09721	0.6
87.04487	0.4
91.03957	4.0
91.04980	0.3
91.05484	1.8
93.07051	3.4
93.07613	0.3
95.04995	0.4
95.08617	3.3
97.02893	4.9
97.06536	0.3
97.10171	0.2
98.03263	0.2
98.23383	0.4
99.04469	1.2
101.02385	2.2
103.03942	0.5
105.04450	0.2
105.07045	1.3
107.08588	1.9
107.09170	0.2
108.80138	0.2
109.02843	0.8
109.06543	0.3
109.10160	7.8
109.44724	0.2
110.10504	0.2
111.08092	0.5
115.03992	0.3
119.08620	1.2
121.10161	1.6
123.11708	0.5
124.99982	0.3
125.09635	0.2
127.03905	1.9
129.05540	0.2
131.08595	0.6
133.10159	0.6
135.11707	0.8
137.09637	0.7
145.04999	0.5
145.10138	0.6
149.13356	0.3
155.10715	0.6
159.11760	0.3
161.13269	0.3
163.06152	0.2
163.14731	0.2
173.11740	2.5
184.07339	1.3
185.04156	0.9
185.07709	0.3
195.09982	0.8
203.05280	0.6
209.11665	0.2
216.46114	0.2
229.14355	1.5
236.14899	0.4
243.08398	2.6
251.12614	0.4
261.22293	0.3
267.12091	0.3
279.23361	0.2
292.17587	0.2
335.25812	0.7
370.06848	0.2
409.28955	0.2
413.17834	11.1
414.18222	0.7
439.19162	0.4
485.20010	0.3
519.29279	6.3
520.29730	0.4
691.40253	100.0
692.40582	15.0
692.50244	0.2
717.41693	1.9
718.41650	0.2
719.39258	0.2
735.42120	0.5
763.41412	1.1
781.42200	13.2
781.54388	1.5
782.42163	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.3
55.05386	0.7
55.05649	0.7
57.03277	1.0
57.03584	0.8
59.05162	0.3
61.02746	2.8
61.03097	3.1
67.05286	3.4
67.05690	4.6
69.03202	1.6
69.03619	2.2
69.06861	0.7
69.07252	0.7
69.25578	1.5
69.25997	0.7
69.76199	0.2
71.01502	0.3
73.02655	1.6
73.03121	2.4
78.14804	0.3
79.05190	1.2
79.05714	2.1
79.32101	0.3
81.03128	0.5
81.03634	1.0
81.06740	1.5
81.07271	2.7
83.08389	0.4
83.08822	0.6
85.02557	1.8
85.03138	3.6
87.04631	0.4
91.03557	1.5
91.04203	3.4
91.05116	0.6
91.05736	1.2
92.58105	0.3
93.06651	0.8
93.07298	2.2
95.08199	0.8
95.08862	2.0
97.02448	1.5
97.03157	4.1
99.04706	0.8
101.02641	1.2
103.04137	0.4
105.06667	0.4
105.07262	0.6
107.08871	1.2
107.47656	0.3
109.03114	0.6
109.09585	1.2
109.10437	3.8
115.04143	0.5
117.07276	0.4
119.08876	0.9
121.10448	1.3
123.11928	0.3
127.04248	1.5
131.08838	0.5
135.12007	1.1
137.09863	0.4
147.11958	0.3
155.09731	0.3
155.10941	0.5
159.11993	0.4
161.13623	0.5
173.12125	1.1
184.07608	0.5
185.04576	0.7
195.10263	0.6
229.14851	1.0
243.08888	2.6
254.26743	0.3
335.26117	0.7
413.17783	7.8
414.18649	0.9
519.29266	9.7
520.30072	1.1
691.40247	100.0
692.28619	0.5
692.40601	13.9
717.41803	1.0
735.42212	0.8
763.41699	0.9
781.41901	15.0
782.41736	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	781.4394
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83400	0.4
55.01947	0.4
55.05622	0.9
57.03551	1.6
61.02694	1.2
61.03046	4.4
67.05235	1.8
67.05635	6.3
69.03157	0.6
69.03566	2.4
69.06833	0.5
69.07162	0.8
69.97865	1.6
71.01453	0.5
71.05097	0.6
73.02606	0.7
73.03059	3.1
78.66247	0.3
79.05153	0.6
79.05650	2.8
81.03576	1.3
81.06696	0.8
81.07209	4.1
83.08291	0.4
83.08749	0.8
85.02497	1.0
85.03070	4.9
87.04594	0.5
91.04129	2.6
91.05653	1.5
93.06588	0.5
93.07217	2.8
95.05093	0.5
95.08121	0.7
95.08786	2.5
97.02367	0.9
97.03076	4.9
97.10295	0.4
98.07236	0.3
99.04621	0.9
101.02555	1.2
105.07236	1.3
107.08789	1.7
109.03016	0.7
109.09535	0.6
109.10359	3.5
115.04091	0.6
118.01358	0.3
119.08733	0.8
121.10374	1.2
127.04129	1.9
128.56459	0.3
131.08748	0.6
133.10320	0.9
135.11943	1.1
145.10294	0.6
184.07562	0.6
185.04387	0.7
195.10193	0.8
229.14610	0.7
229.84734	0.3
243.08478	1.9
335.26138	0.8
360.82785	0.4
401.67032	0.4
413.17856	4.2
413.22623	0.4
503.21280	0.6
519.29266	10.6
520.30072	1.2
664.96045	0.4
691.40222	100.0
692.28613	0.7
692.40570	13.6
735.42267	0.7
763.42493	1.9
781.41797	43.0
782.41974	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	781.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05375	0.9
55.05670	0.9
57.03281	1.5
57.03602	1.3
61.02744	3.6
61.03098	4.0
62.86083	0.3
65.04073	0.4
67.05284	3.9
67.05691	4.8
69.03195	1.7
69.03619	2.4
69.06870	0.7
69.07237	0.6
69.23382	2.1
69.23795	0.7
71.01167	0.4
71.01488	0.5
71.04818	0.5
71.05156	0.7
73.02652	1.6
73.03118	2.5
74.57249	0.3
75.00937	0.3
75.22718	0.3
79.05191	1.7
79.05712	2.8
81.03129	0.6
81.03648	1.2
81.06738	2.1
81.07278	3.6
82.07545	0.4
83.05142	0.5
83.08377	0.4
83.08798	0.6
85.02560	2.3
85.03143	4.8
87.04633	0.4
91.03569	1.3
91.04203	3.1
91.05104	0.8
91.05732	1.8
93.06623	1.4
93.07294	3.0
95.05143	0.5
95.08176	1.2
95.08867	3.0
97.02445	1.9
97.03155	4.6
99.04693	0.9
101.01934	0.6
101.02651	1.9
103.04128	0.3
105.07291	0.9
107.08089	0.6
107.08873	2.0
109.03064	0.7
109.09616	1.2
109.10447	3.7
111.08272	0.5
115.04158	0.5
117.07204	0.6
119.08035	0.7
119.08878	1.2
121.10435	1.9
123.11938	0.5
127.03191	0.7
127.04227	2.1
130.30528	0.4
131.08894	1.1
132.32458	0.3
133.10431	0.9
135.11990	1.0
144.09979	0.3
145.10413	0.8
147.11969	0.6
147.72017	0.3
149.13518	0.5
159.11943	0.4
161.13536	0.5
173.10736	0.3
173.12115	1.0
178.33038	0.3
184.07588	0.6
185.04535	0.7
195.10353	1.0
203.05560	0.6
206.13937	0.3
208.87732	0.3
229.14792	0.5
243.08873	2.9
285.13379	0.5
303.85413	0.3
335.26343	1.0
413.17883	5.8
413.23236	0.4
441.18127	0.4
485.20392	0.9
503.20969	0.8
519.29193	13.1
520.30017	1.5
691.40222	100.0
692.40509	16.6
735.42468	1.6
762.98456	0.4
763.42004	2.6
764.42273	0.4
781.42010	47.5
782.42242	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	781.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01964	0.5
55.05615	1.2
57.03252	0.9
57.03550	1.5
61.02694	1.5
61.03044	4.7
67.05231	1.8
67.05634	7.0
69.03152	0.6
69.03559	2.7
69.06866	0.4
69.07186	1.1
71.01437	0.9
71.05094	0.8
73.02606	0.8
73.03058	3.8
77.56638	0.5
79.05640	2.8
81.03577	1.4
81.06689	0.9
81.07201	4.8
83.05111	0.5
83.08732	0.5
85.02486	1.0
85.03065	5.4
86.09807	0.4
91.03503	0.7
91.04123	4.6
91.05657	1.9
93.07214	4.0
93.12950	0.5
95.08776	3.5
97.02396	0.9
97.03071	5.3
97.69215	0.4
98.23357	1.6
99.04584	0.8
101.01855	0.8
101.02563	2.2
103.49903	0.4
105.06544	0.5
105.07175	0.9
107.08785	2.0
109.03021	0.9
109.09531	1.0
109.10348	4.4
110.10601	0.4
111.08268	0.5
115.04094	0.5
117.07153	0.9
119.08729	1.0
121.10344	1.3
123.11897	0.5
127.04127	2.6
131.08751	0.7
133.10312	0.8
135.10936	0.4
135.11868	0.9
137.09813	0.4
145.05150	0.4
145.10338	0.6
149.09810	0.4
159.11867	0.4
177.94220	0.4
184.07486	0.9
185.04459	1.2
195.10153	0.8
203.05367	0.4
229.14574	0.6
243.08438	2.7
285.13467	0.7
335.26126	1.2
398.25684	0.4
413.17773	5.3
485.20654	0.6
519.29266	11.6
520.29803	0.5
567.75488	0.5
691.40228	100.0
692.40540	12.7
735.42755	0.8
749.47437	0.4
763.42181	2.0
781.41895	45.1
782.42053	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	781.4707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.6
55.05514	2.7
57.03441	2.1
57.07086	0.6
59.04997	0.7
60.08171	0.2
60.79589	0.3
61.02929	5.3
67.05508	7.8
68.05813	0.3
69.03430	3.2
69.07073	3.2
71.01368	0.5
71.05005	1.6
71.07360	0.3
71.08611	0.3
73.02919	3.5
77.24595	0.3
77.29013	0.3
79.05492	2.8
81.03426	3.9
81.07060	7.4
82.41216	0.3
83.04991	0.7
83.08623	2.2
85.02911	5.1
85.06560	0.3
86.09708	1.6
87.04469	0.7
91.03954	3.2
91.05479	3.1
93.07042	2.7
94.12416	0.3
94.26492	0.3
95.04970	1.2
95.08604	4.3
97.02895	4.8
97.06564	0.8
97.10193	1.1
99.04465	1.1
99.08083	0.3
101.02385	1.6
103.04013	0.3
105.07065	1.2
107.04957	0.5
107.08600	2.3
109.02892	0.7
109.06569	0.5
109.10165	2.6
111.08069	0.5
111.11723	0.3
115.03995	0.4
117.06990	0.3
119.08549	1.4
121.10127	1.9
122.64503	0.3
123.11712	0.8
125.00025	1.3
125.09622	0.4
127.03921	1.7
129.06950	0.3
131.08571	1.0
133.10098	1.4
135.11768	0.7
137.13263	0.4
145.05034	0.3
145.10130	0.3
147.11726	1.2
149.09650	1.2
149.13298	0.4
157.10091	0.4
161.13306	0.4
161.95554	0.3
163.11244	0.3
175.11220	0.6
184.07353	6.6
184.08899	0.5
185.04312	0.8
185.07793	0.8
193.12273	0.7
199.13492	0.3
225.14938	0.6
229.14290	0.4
233.11597	0.4
241.06844	0.3
243.08397	2.0
267.16022	0.4
283.15222	4.6
337.27371	0.7
339.17896	0.8
339.29025	0.6
340.29453	0.9
469.20996	0.4
501.23096	7.6
502.23712	0.7
516.44958	0.4
521.30994	7.1
521.38287	0.8
522.31458	1.0
763.45050	0.3
781.47021	100.0
782.47375	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	782.4679
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	10.7
57.03450	5.3
57.07075	6.1
61.02927	2.0
64.73378	1.0
67.05505	16.4
69.03444	4.1
69.07063	20.6
70.10487	3.7
71.01358	1.3
71.08627	1.5
73.02911	9.8
75.95945	0.9
79.05486	10.7
81.07055	41.6
82.07401	1.2
83.08624	10.8
84.08147	1.0
85.02905	5.8
86.09682	5.0
91.05476	7.9
93.07043	26.3
95.01319	1.5
95.04971	1.0
95.08602	77.1
95.23841	0.8
95.82572	0.8
96.08943	2.5
97.02892	8.9
97.10164	6.6
105.07030	17.6
106.07359	1.0
107.08592	45.0
108.08941	1.9
109.10150	46.5
110.10489	1.2
111.11716	2.5
112.96706	0.9
115.03928	7.2
117.07056	1.5
119.08576	31.3
120.08117	0.9
120.08939	1.3
121.10141	42.4
122.10509	1.4
123.11705	23.5
125.09569	1.1
131.08553	7.0
133.04964	2.9
133.10117	26.0
134.10425	1.0
135.11691	31.1
137.13254	16.4
141.01811	8.5
145.10124	17.1
145.11221	1.5
147.11685	19.7
149.13258	36.1
150.13570	1.8
153.09041	4.0
157.10143	1.6
159.02917	2.0
159.11687	9.9
161.13235	14.6
163.14818	7.5
167.10719	1.5
171.11726	1.4
173.13274	8.2
175.14801	11.3
177.04010	1.3
177.16367	9.4
179.10664	2.7
179.17941	3.5
185.13231	2.0
187.14799	4.8
189.16373	41.0
190.16753	2.3
191.17937	58.7
192.18307	3.2
199.14763	1.6
201.16370	50.9
202.16734	2.9
203.17946	46.4
204.18292	2.5
205.19511	45.3
206.19884	2.8
207.13870	1.3
207.17450	1.3
213.16440	3.2
215.17941	25.4
216.18300	1.8
217.19545	12.0
219.13762	1.1
219.38602	0.8
221.15291	1.8
221.18962	1.0
221.66957	1.0
227.17920	2.6
229.19463	2.0
231.17361	1.0
231.21013	4.4
235.16898	7.5
241.19501	2.6
243.21088	5.6
245.22678	5.8
247.16917	29.2
248.17253	2.6
249.18494	6.2
255.21136	3.8
257.22675	4.0
259.16882	1.3
261.18481	10.8
269.22559	3.4
273.06046	1.1
287.20041	1.5
289.21722	4.2
301.21399	1.1
309.08109	1.3
315.23175	2.3
343.26108	1.1
355.26462	1.1
393.35138	16.7
393.48563	1.0
394.35339	1.6
421.34631	2.1
439.35693	100.0
440.35983	14.3
494.99170	0.9
696.71918	1.0
701.52502	0.8
782.43066	5.5
783.43591	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.5687
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.3
56.05035	0.9
57.07071	0.2
57.82555	0.2
58.06620	0.6
60.08162	6.8
67.05501	0.7
69.07067	0.3
70.53424	0.4
70.53800	0.3
71.07368	3.6
71.07732	0.3
79.05473	0.6
80.32993	0.2
81.07056	0.7
86.09703	32.1
87.10037	0.6
91.05511	0.4
93.07038	0.5
95.08589	0.6
98.09710	0.2
98.98463	3.8
104.10738	2.3
105.07047	0.3
109.10174	0.4
121.10175	0.3
124.99995	21.5
126.00290	0.2
133.10074	0.3
135.11610	0.2
143.00983	0.2
145.30835	0.2
171.88927	0.2
184.07332	100.0
185.07668	2.2
186.07788	0.3
242.19539	0.2
421.50949	0.2
431.04620	0.2
549.93591	0.2
709.70087	0.2
782.56787	1.6
783.56061	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4437
Annotation	56396-12-4
Peak:m/z	Relative Intensity
55.05506	1.8
57.07071	2.8
59.19132	1.0
59.86413	0.9
60.08165	5.1
65.03288	1.0
67.05499	2.7
69.07066	1.8
69.10985	8.3
69.11390	1.8
69.56995	1.0
71.07383	2.8
71.08629	2.0
78.87064	1.0
79.05466	1.9
81.07055	4.6
86.09707	29.9
87.10040	3.8
91.05469	1.5
93.07032	2.4
95.08614	4.1
98.98471	4.1
104.10721	1.7
105.07079	1.6
107.08626	2.2
109.10155	1.8
125.00008	19.9
145.69618	1.1
168.88593	1.0
184.07341	100.0
185.07668	11.9
196.07367	1.6
313.27499	2.0
385.41107	1.1
780.41406	1.3
783.44293	35.5
783.57214	1.9
784.44611	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	783.4865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	5.7
57.03433	4.5
57.07080	7.7
59.05011	1.1
60.08157	0.9
61.02927	4.5
67.05506	9.2
69.03429	3.2
69.07073	4.9
71.04982	2.4
71.08635	5.2
71.31293	1.3
72.75108	0.8
73.02919	3.0
79.05490	6.8
81.03417	10.2
81.07056	10.7
83.04992	2.4
83.08620	6.9
85.02901	6.4
85.06529	1.2
85.10188	1.7
85.63657	0.7
86.09715	4.6
91.03971	2.7
91.05474	6.9
93.07043	5.0
95.04993	3.6
95.08633	8.0
97.02900	3.1
97.06553	1.0
97.10177	1.9
99.04430	1.5
101.02388	1.6
105.07024	4.2
107.04960	1.2
107.08612	3.6
109.06517	1.4
109.10171	3.4
111.04505	1.2
111.08125	1.3
111.11742	1.1
119.08578	4.3
121.10180	2.7
123.08054	1.2
123.11696	1.6
125.00026	3.6
127.03931	1.3
129.07034	0.9
131.08595	2.3
133.10138	3.0
135.11723	2.3
146.10513	1.1
147.08011	1.1
147.11731	2.3
149.09650	1.6
157.10127	1.6
163.07759	0.9
175.11227	1.2
181.12274	0.9
184.07338	12.6
185.07899	0.9
185.12866	0.8
193.12289	5.5
211.13277	8.0
227.12894	1.0
243.08519	1.9
248.73033	0.8
267.15848	4.1
283.15298	5.5
284.15875	1.2
285.16971	6.0
313.27338	11.1
313.30283	0.9
314.27759	1.5
501.23047	11.8
502.23495	0.9
505.39038	2.0
511.19318	0.8
522.38379	1.5
523.32495	3.1
523.40070	10.7
524.32800	0.9
539.29059	1.2
618.31757	0.9
783.48578	100.0
784.48840	17.1
788.88354	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.4
55.05515	2.2
57.03431	4.0
67.05499	3.9
69.03423	4.4
69.10997	2.2
69.11398	8.4
75.04468	3.8
77.03933	1.1
78.04682	1.1
79.05492	13.5
81.03416	5.4
81.07054	5.3
83.04960	1.3
85.02896	5.0
91.05473	16.4
93.03371	2.8
93.07041	37.1
95.04965	6.3
95.08604	5.3
97.02887	2.6
97.06539	2.6
103.05466	11.1
105.07027	40.1
106.04184	6.6
106.07372	2.4
107.04959	7.5
107.08580	8.0
108.05766	1.3
109.02891	3.8
109.06532	3.6
109.10168	6.4
111.04417	1.3
111.08025	2.1
115.05460	4.8
115.25584	1.1
117.06995	2.1
118.04150	8.1
119.04965	3.7
119.08569	7.2
120.05775	1.4
121.06501	12.0
121.10145	36.5
122.07295	1.9
123.04437	4.3
123.08059	3.8
124.05224	2.2
125.05988	4.6
127.03902	3.2
131.04912	2.6
131.08560	1.6
132.05684	1.1
133.06485	35.8
133.07510	2.6
134.03516	1.2
134.07268	1.6
135.04385	4.5
135.08058	7.1
137.05980	13.1
137.09621	8.3
137.93330	1.3
139.03889	1.7
139.07510	1.2
145.06531	1.8
146.03615	1.4
147.04385	3.3
147.08040	1.6
147.11708	1.2
147.71382	1.3
148.05170	2.5
149.05980	19.0
149.09608	12.6
150.06744	14.7
151.03926	2.0
151.07570	7.8
153.01839	4.1
153.05475	1.7
153.09097	3.9
159.08051	1.0
161.05981	28.3
163.03893	3.1
163.07518	7.2
163.11066	1.2
165.05431	1.4
165.09103	26.6
167.07039	32.0
167.10692	6.3
168.07442	2.1
169.08598	1.6
173.05956	2.3
175.07571	2.0
177.05461	9.5
177.09099	1.2
178.06160	2.8
179.07079	4.6
181.08582	15.2
183.06526	1.6
183.10117	1.6
185.09525	1.1
191.06999	3.4
193.08595	100.0
194.08977	4.2
195.06523	1.2
195.10176	4.7
197.64146	1.2
205.08635	3.8
207.06575	1.8
207.10234	2.2
209.08096	36.5
209.11703	3.5
210.08577	1.4
211.09641	84.4
211.74931	1.1
212.09987	3.6
213.11203	2.8
219.10127	1.9
221.08096	2.6
227.12860	2.8
233.07933	1.4
243.10001	1.3
245.08098	1.4
247.09450	1.5
250.27065	1.3
287.09100	3.1
293.13669	1.4
299.16510	1.5
305.10086	1.4
311.14996	3.7
313.14462	1.5
327.15857	3.4
403.17532	1.7
471.19937	2.5
489.21066	1.8
514.60333	1.2
785.28247	1.8
785.40955	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	784.4962
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	1.3
61.74085	0.3
67.05495	0.8
68.05030	0.9
69.07067	1.1
69.56184	1.1
69.56583	0.6
70.06597	1.4
71.08627	1.4
79.05496	0.6
81.07063	1.0
83.08594	0.4
84.08134	1.2
86.06071	3.4
86.09702	100.0
87.10034	1.8
89.88010	0.3
91.05479	1.6
93.07038	1.1
94.06567	0.8
95.08599	0.8
96.04493	0.8
97.02893	0.4
98.06082	0.4
98.09686	1.9
99.05580	0.5
103.05459	1.2
105.07018	2.3
108.04491	0.7
109.10076	0.4
110.09686	0.6
111.09203	1.0
112.07602	1.7
112.11240	10.3
114.05522	2.3
119.08606	0.4
120.08099	51.4
121.08434	1.0
122.06026	9.0
130.06512	1.0
132.08075	0.8
133.10095	0.4
137.09784	0.4
139.08667	5.3
140.07036	0.9
141.10233	0.9
146.09644	3.2
147.09158	0.7
150.05508	8.7
151.03845	0.3
151.05804	0.5
153.13866	0.5
154.12294	4.2
154.15901	20.5
155.16196	0.6
157.09705	3.0
157.13358	10.6
157.14597	0.7
164.10716	3.7
165.10190	0.7
167.08168	5.6
167.11848	0.6
168.06599	0.7
168.08511	0.3
175.08684	2.7
181.13342	3.6
182.11760	1.5
184.07384	0.6
185.09212	5.3
185.12843	8.8
188.10704	3.2
188.14328	8.6
191.11813	1.6
192.10222	2.6
199.14430	5.7
199.18044	12.1
200.18498	0.4
202.57750	0.3
202.62891	0.3
207.14922	0.4
209.12791	1.5
209.16403	0.7
210.11250	1.2
215.11813	0.7
216.10123	0.7
219.11261	0.4
225.16080	0.8
225.19600	5.4
227.13979	4.3
227.17499	8.8
228.14149	0.5
233.12889	5.6
233.16478	11.4
235.14384	3.4
235.18060	0.5
237.15921	0.5
243.11386	0.6
243.14818	1.0
249.19511	0.4
252.17062	2.3
253.15364	2.0
253.19090	3.5
259.18054	1.9
261.12332	5.7
261.15948	6.8
262.15942	0.6
263.13907	6.6
267.21149	0.6
267.24277	5.0
269.12946	0.8
277.19196	0.7
277.22595	0.4
278.19229	0.4
280.16611	4.3
280.19733	0.5
286.15445	2.5
287.13910	0.6
287.17429	0.6
294.21762	0.5
295.20264	1.0
295.23730	2.9
298.17548	3.8
298.21170	2.6
301.19061	1.0
301.22678	5.2
302.22964	0.7
305.18652	2.0
311.21048	0.7
314.15063	2.0
322.21191	1.6
323.19598	0.7
329.18515	2.1
329.21890	2.3
332.15927	1.5
332.19641	1.7
340.22162	1.6
340.26001	2.0
348.22745	1.3
354.21439	0.4
356.23380	0.4
365.25412	0.7
366.23807	1.4
374.20511	1.3
374.24768	1.8
376.22244	7.1
382.21393	0.6
393.24960	5.1
394.23279	0.7
399.23734	1.3
400.22192	1.4
400.26556	0.8
411.25250	2.3
411.29996	1.0
427.23160	1.2
442.26804	1.2
445.23990	1.2
445.28665	0.7
452.25528	2.0
459.33313	0.6
469.27960	1.2
470.26309	1.0
479.32361	1.3
487.28546	0.6
489.30606	7.4
490.30884	0.9
495.29810	0.7
506.33386	6.5
507.32401	1.3
512.32587	0.4
513.30090	3.3
523.29004	1.7
524.36450	0.6
530.33118	1.0
540.31769	4.2
555.35394	1.3
558.32843	1.1
565.33508	1.6
582.36139	1.5
583.34412	0.6
592.40167	1.2
600.38818	0.4
602.39087	2.6
608.37531	1.0
619.41724	2.7
620.40698	0.5
625.40778	2.3
626.39178	4.5
627.38831	0.6
636.37433	1.9
637.41974	1.1
643.41626	3.0
653.30170	0.6
653.40094	7.4
654.39368	1.9
668.43079	0.7
671.41223	4.0
715.47150	0.4
721.46167	0.8
738.49139	2.8
739.47540	2.6
748.47687	0.9
756.50409	3.7
757.50214	0.7
766.48767	3.8
767.47247	1.1
784.49841	3.8
785.48950	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4962
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	1.3
61.74085	0.3
67.05495	0.8
68.05030	0.9
69.07067	1.1
69.56184	1.1
69.56583	0.6
70.06597	1.4
71.08627	1.4
79.05496	0.6
81.07063	1.0
83.08594	0.4
84.08134	1.2
86.06071	3.4
86.09702	100.0
87.10034	1.8
89.88010	0.3
91.05479	1.6
93.07038	1.1
94.06567	0.8
95.08599	0.8
96.04493	0.8
97.02893	0.4
98.06082	0.4
98.09686	1.9
99.05580	0.5
103.05459	1.2
105.07018	2.3
108.04491	0.7
109.10076	0.4
110.09686	0.6
111.09203	1.0
112.07602	1.7
112.11240	10.3
114.05522	2.3
119.08606	0.4
120.08099	51.4
121.08434	1.0
122.06026	9.0
130.06512	1.0
132.08075	0.8
133.10095	0.4
137.09784	0.4
139.08667	5.3
140.07036	0.9
141.10233	0.9
146.09644	3.2
147.09158	0.7
150.05508	8.7
151.03845	0.3
151.05804	0.5
153.13866	0.5
154.12294	4.2
154.15901	20.5
155.16196	0.6
157.09705	3.0
157.13358	10.6
157.14597	0.7
164.10716	3.7
165.10190	0.7
167.08168	5.6
167.11848	0.6
168.06599	0.7
168.08511	0.3
175.08684	2.7
181.13342	3.6
182.11760	1.5
184.07384	0.6
185.09212	5.3
185.12843	8.8
188.10704	3.2
188.14328	8.6
191.11813	1.6
192.10222	2.6
199.14430	5.7
199.18044	12.1
200.18498	0.4
202.57750	0.3
202.62891	0.3
207.14922	0.4
209.12791	1.5
209.16403	0.7
210.11250	1.2
215.11813	0.7
216.10123	0.7
219.11261	0.4
225.16080	0.8
225.19600	5.4
227.13979	4.3
227.17499	8.8
228.14149	0.5
233.12889	5.6
233.16478	11.4
235.14384	3.4
235.18060	0.5
237.15921	0.5
243.11386	0.6
243.14818	1.0
249.19511	0.4
252.17062	2.3
253.15364	2.0
253.19090	3.5
259.18054	1.9
261.12332	5.7
261.15948	6.8
262.15942	0.6
263.13907	6.6
267.21149	0.6
267.24277	5.0
269.12946	0.8
277.19196	0.7
277.22595	0.4
278.19229	0.4
280.16611	4.3
280.19733	0.5
286.15445	2.5
287.13910	0.6
287.17429	0.6
294.21762	0.5
295.20264	1.0
295.23730	2.9
298.17548	3.8
298.21170	2.6
301.19061	1.0
301.22678	5.2
302.22964	0.7
305.18652	2.0
311.21048	0.7
314.15063	2.0
322.21191	1.6
323.19598	0.7
329.18515	2.1
329.21890	2.3
332.15927	1.5
332.19641	1.7
340.22162	1.6
340.26001	2.0
348.22745	1.3
354.21439	0.4
356.23380	0.4
365.25412	0.7
366.23807	1.4
374.20511	1.3
374.24768	1.8
376.22244	7.1
382.21393	0.6
393.24960	5.1
394.23279	0.7
399.23734	1.3
400.22192	1.4
400.26556	0.8
411.25250	2.3
411.29996	1.0
427.23160	1.2
442.26804	1.2
445.23990	1.2
445.28665	0.7
452.25528	2.0
459.33313	0.6
469.27960	1.2
470.26309	1.0
479.32361	1.3
487.28546	0.6
489.30606	7.4
490.30884	0.9
495.29810	0.7
506.33386	6.5
507.32401	1.3
512.32587	0.4
513.30090	3.3
523.29004	1.7
524.36450	0.6
530.33118	1.0
540.31769	4.2
555.35394	1.3
558.32843	1.1
565.33508	1.6
582.36139	1.5
583.34412	0.6
592.40167	1.2
600.38818	0.4
602.39087	2.6
608.37531	1.0
619.41724	2.7
620.40698	0.5
625.40778	2.3
626.39178	4.5
627.38831	0.6
636.37433	1.9
637.41974	1.1
643.41626	3.0
653.30170	0.6
653.40094	7.4
654.39368	1.9
668.43079	0.7
671.41223	4.0
715.47150	0.4
721.46167	0.8
738.49139	2.8
739.47540	2.6
748.47687	0.9
756.50409	3.7
757.50214	0.7
766.48767	3.8
767.47247	1.1
784.49841	3.8
785.48950	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.5321
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	0.8
65.43403	0.3
68.05035	0.4
68.20701	0.3
69.07060	1.0
69.29034	1.9
69.29449	0.8
71.08628	0.8
71.15202	0.3
81.07050	0.4
86.09705	100.0
87.10039	1.4
91.05473	0.5
96.08082	0.4
98.09695	1.4
98.23326	0.5
103.05466	0.8
105.07053	1.2
112.11239	6.8
120.08102	40.3
121.08456	0.9
132.08125	0.4
132.60490	0.4
144.06715	0.4
146.09604	2.1
154.15904	17.6
155.16246	0.8
157.12062	0.6
157.13362	10.5
165.86343	0.4
167.11819	0.4
174.23112	0.4
185.12849	13.7
188.14339	7.4
191.11763	0.5
199.18056	16.2
200.18341	0.5
209.16370	0.5
219.11385	1.1
225.19641	7.4
227.17535	13.4
228.17845	0.9
233.16475	16.5
234.16800	1.0
235.17961	0.7
253.19107	7.2
259.17987	2.1
261.15985	15.3
262.16367	0.9
267.24335	7.8
268.24728	0.8
280.20245	0.6
287.17480	2.8
295.23816	4.6
298.21237	8.7
299.21515	0.6
301.22742	7.3
302.23044	0.6
329.22235	5.1
332.19641	6.0
333.19769	0.6
340.26007	2.9
356.23309	0.7
366.27573	2.6
374.24362	5.3
375.24704	0.4
383.30191	1.3
400.25934	3.2
408.32214	0.7
411.29694	5.5
412.29791	0.4
417.28534	1.8
442.30609	1.8
445.28098	5.6
446.28122	0.5
459.33325	1.3
479.35855	2.4
487.32632	2.8
496.38794	1.2
513.34314	5.2
514.34161	0.5
524.38037	4.3
525.38385	0.7
530.36859	2.9
555.38977	1.9
558.36511	10.5
559.36633	1.0
568.34399	0.6
572.41339	0.7
586.36041	0.6
592.43933	1.2
600.40900	1.5
609.46643	0.7
626.42700	6.1
627.42944	1.0
637.46295	1.9
643.45514	4.8
644.45569	0.9
653.43646	1.0
668.46643	0.8
671.44885	14.8
672.45221	2.0
739.51324	3.0
740.51483	0.9
756.53882	5.6
757.53735	0.8
766.52795	2.1
767.52087	0.6
784.53436	5.9
785.52472	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	13.0
57.03444	10.5
57.07073	25.9
65.03941	2.2
67.05502	40.2
69.03447	2.1
69.07062	16.5
71.07376	2.1
71.08627	20.6
73.02940	1.8
76.07535	1.6
79.05490	23.6
81.07053	44.6
83.04997	3.2
83.08612	11.7
85.02900	4.3
85.10184	9.8
86.09702	9.9
91.05476	13.7
93.07045	25.5
95.01339	3.4
95.08606	40.4
97.02818	2.1
97.10170	5.9
98.23347	3.6
102.88612	2.3
105.07012	9.8
107.08573	15.0
109.10143	18.2
113.05892	2.1
117.07043	3.8
119.08575	8.3
121.10155	15.0
123.11730	6.1
125.00000	8.5
131.08566	7.6
133.10136	6.6
135.11678	11.5
137.13243	3.5
139.11180	2.0
141.01859	2.7
145.10133	4.4
147.11725	5.1
149.13234	5.8
159.11682	4.0
161.13284	2.9
163.14828	3.5
167.20891	2.2
173.13216	4.3
184.07350	30.3
185.07726	2.9
187.14700	2.2
236.52954	2.3
239.23759	7.9
243.21100	6.0
261.22107	23.8
279.23187	6.7
297.24023	2.2
313.27359	100.0
314.27646	7.4
317.24612	4.6
335.25787	58.6
336.26172	4.3
415.26755	2.5
573.48901	25.2
574.48883	2.6
785.38275	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	784.6286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	23.3
56.88513	3.1
57.07079	22.0
60.08186	3.6
64.73371	3.2
67.05507	88.7
67.05865	5.5
69.07007	57.6
71.05001	5.8
71.08620	9.9
79.05494	42.1
80.05833	2.9
81.07058	100.0
81.78680	2.8
83.08604	21.7
85.06530	3.4
85.10184	8.4
86.09699	10.3
91.05479	24.0
93.07044	53.9
95.08603	78.9
97.06539	10.3
97.10155	9.2
105.07016	16.9
107.08605	24.6
109.10166	38.8
111.08064	3.8
117.07037	5.1
119.08575	23.7
121.10136	38.6
123.08055	3.9
123.11703	16.4
124.99992	3.8
125.09655	3.6
131.08603	14.9
133.10146	15.8
135.11711	24.5
137.13275	4.6
139.11183	11.7
145.10124	12.9
147.11681	13.0
149.09605	5.0
149.13242	8.7
151.11128	4.2
157.12227	3.0
159.11685	8.5
161.13257	8.5
163.14848	3.1
173.11800	4.7
173.13264	7.9
175.14809	3.7
184.07324	29.7
185.07581	4.1
187.14862	4.5
198.63350	3.2
239.23770	3.8
243.21149	15.6
261.22183	39.1
262.22510	4.1
277.21411	3.4
279.23230	60.2
281.32211	3.8
295.22787	3.7
297.24222	17.7
313.27383	41.8
314.27808	4.6
321.74829	3.1
335.25800	27.8
399.32632	6.1
417.33478	20.2
435.34595	12.0
453.35898	3.6
539.44592	6.2
557.45392	6.3
573.48248	10.3
631.62653	3.9
713.57098	4.0
731.57483	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	785.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.4
57.07070	2.0
59.04998	1.1
61.16867	1.1
67.05504	3.6
69.03441	2.5
69.07079	3.0
69.25456	4.6
69.25882	2.7
71.04998	5.5
79.05509	2.9
81.07053	4.7
83.04988	2.4
86.09724	1.4
87.04469	1.6
89.25089	1.2
91.05482	2.3
93.07076	4.1
95.04963	2.1
95.08598	7.3
97.06532	6.5
105.07045	5.5
105.14621	1.1
107.08614	4.5
109.06531	2.3
109.10155	3.5
111.08078	1.5
113.06096	1.2
119.08594	3.7
121.10155	11.3
121.88452	1.3
123.08096	2.3
123.11683	2.0
124.99977	1.2
125.06030	1.1
125.09576	1.3
131.08566	2.4
133.10155	4.5
135.08095	2.9
137.06021	2.1
137.09615	58.8
138.09962	1.4
139.11179	9.3
143.08586	2.1
147.08055	3.0
147.11703	3.3
149.09666	4.8
150.10408	3.2
151.11194	3.2
159.11702	1.6
161.09657	3.1
163.07550	1.6
165.09207	3.7
165.12758	1.4
167.10750	5.0
175.07590	1.8
175.11269	1.4
177.09193	3.4
179.10727	3.9
184.07420	2.8
189.09204	2.3
189.12849	1.9
191.07050	1.6
191.14360	3.5
193.12291	6.1
203.14383	1.5
207.13779	5.8
209.15433	4.0
219.13817	9.1
221.15456	3.6
233.11717	1.4
235.13283	24.8
237.14867	18.4
237.17068	2.0
241.12294	1.4
249.14857	7.3
251.16531	1.3
254.09479	2.1
255.10252	1.8
258.27365	1.1
267.10229	1.3
268.10965	1.5
269.08167	2.2
269.11749	2.0
281.08301	1.4
283.09677	3.4
295.09790	1.3
296.10483	2.5
297.11319	2.9
309.11258	1.8
321.11191	2.4
321.14771	1.6
323.09213	4.2
323.12775	1.7
325.10733	1.5
338.11523	1.2
339.12366	2.2
339.15955	1.5
347.12991	2.3
349.10904	3.0
351.12292	9.6
352.13193	3.3
353.13898	4.5
357.16977	2.5
365.10168	5.4
366.14627	11.6
367.15582	2.0
375.12161	8.7
375.16327	1.3
387.11996	1.7
389.14108	1.9
391.15427	2.9
393.09290	1.2
393.13583	4.2
394.13919	1.7
397.20251	3.2
401.14194	3.2
403.11661	17.9
404.12143	2.3
409.20139	14.0
410.20752	1.4
411.16516	1.1
411.21887	3.7
419.14752	9.9
421.12634	7.3
427.21271	4.4
433.12994	1.3
434.13745	1.5
435.14175	6.4
437.20508	7.7
443.12158	1.3
445.16705	2.6
447.14154	2.2
448.15320	1.2
451.21338	1.6
457.16293	3.2
461.19452	2.7
471.18408	2.5
473.15726	15.1
474.16635	1.3
475.17496	2.0
479.20636	29.5
480.21146	3.0
487.17773	1.6
488.18427	3.5
489.18997	10.8
491.16879	32.8
492.17523	4.2
503.24161	2.6
505.18655	2.7
506.19397	1.4
507.20282	8.5
515.23755	1.5
517.18311	4.9
518.19543	2.8
521.25317	1.2
527.20624	3.2
531.23773	6.7
533.25378	6.1
543.23529	2.1
545.21399	6.6
547.22723	1.2
549.24817	78.2
550.25122	8.6
559.23193	1.2
561.25104	2.5
585.28693	2.5
603.29578	27.0
604.29901	4.0
645.33698	2.4
647.36115	2.9
673.33270	2.7
697.33655	5.8
707.32471	2.7
709.29205	1.4
715.34747	11.5
716.34943	1.8
725.33301	3.5
727.00696	1.1
727.31323	8.9
728.31317	1.5
749.36865	4.8
767.38129	12.5
768.38336	2.1
785.38873	100.0
786.39185	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.459
Annotation	Unknow
Peak:m/z	Relative Intensity
71.31017	11.9
71.31445	17.3
86.09702	26.4
125.00002	18.8
133.80310	11.7
147.39174	12.7
184.07359	100.0
185.07625	17.0
229.39214	11.7
238.76569	11.1
294.22519	11.7
337.40259	14.2
350.07172	13.8
690.57635	12.6
785.45947	84.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.5002
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.8
55.05513	20.9
56.24459	1.0
57.03437	16.9
57.07076	4.1
59.05004	3.4
60.05634	1.4
61.02936	3.4
65.03952	4.8
67.05505	100.0
68.05837	1.9
69.03430	5.2
69.07069	14.9
69.20734	3.8
69.21159	3.8
71.04984	6.0
71.08615	1.2
73.02901	1.3
77.83233	0.9
79.05494	41.2
80.05833	2.2
81.03423	12.0
81.07056	57.1
82.07381	1.5
83.05003	4.5
83.08616	10.1
85.02912	6.8
85.06525	4.8
86.09711	2.8
87.04463	1.2
90.28154	1.0
91.03958	1.9
91.05022	0.6
91.05480	31.4
93.07045	44.9
94.07372	1.7
94.30165	0.9
95.04982	9.7
95.08606	41.7
96.08980	1.8
97.02900	4.2
97.06520	5.5
97.10159	6.1
98.23344	1.8
99.04456	1.7
99.08121	1.9
105.04534	2.4
105.07034	16.9
107.04951	6.4
107.08599	25.0
109.06511	5.9
109.10158	54.5
110.10522	2.3
111.04426	2.3
111.08065	6.3
113.06016	1.3
115.05456	1.2
117.01237	1.0
117.07018	10.9
119.08585	14.9
120.08932	1.0
121.06509	5.9
121.10143	16.2
123.08072	4.2
123.11707	4.9
125.09618	5.2
126.79852	1.0
127.03941	1.4
128.06232	1.7
129.07060	3.1
131.08568	13.5
133.10139	11.1
135.08046	2.1
135.11679	10.2
137.09637	3.9
139.11168	2.0
141.06981	3.1
143.08607	2.2
145.10129	9.2
147.08049	1.1
147.11667	6.2
149.09676	2.5
149.13260	5.9
153.09114	1.4
153.12680	1.3
155.10715	3.2
157.10123	3.2
159.07985	1.6
159.11710	9.3
161.09630	1.6
161.13312	3.6
163.11203	1.2
163.14832	3.0
169.10173	2.9
171.11714	1.8
173.11763	14.5
173.13289	5.0
175.14841	2.2
177.12778	2.6
177.16428	1.3
184.07408	3.5
185.13290	1.9
187.11194	2.6
187.14830	2.2
189.11264	2.5
201.16554	0.9
205.12277	4.0
207.13771	1.1
223.13300	8.7
227.07054	3.0
227.12804	3.3
229.14346	54.1
230.14769	2.4
241.14424	1.1
243.21123	4.4
249.18324	1.2
261.22131	15.5
265.11978	1.3
275.20145	1.1
277.21658	1.8
279.15952	3.5
279.23160	1.6
297.16956	16.3
317.24786	3.0
329.19708	1.0
335.25806	59.8
336.26208	5.4
358.10370	1.1
489.35760	23.9
490.35968	2.6
539.37341	2.1
557.38354	8.4
575.39294	1.9
603.42334	1.7
696.43683	1.8
786.45020	3.1
787.45105	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.5013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	6.0
55.05513	22.1
57.03436	16.9
57.07076	4.5
59.04999	3.6
61.02918	3.2
65.03939	2.5
67.05505	100.0
68.05834	3.4
69.03117	1.1
69.03420	6.5
69.07066	15.9
69.30879	0.9
69.33057	4.3
69.33482	2.8
71.04995	6.9
71.07402	0.9
71.08630	1.7
73.02914	1.9
75.04440	1.0
79.05492	42.4
80.05833	1.7
81.03415	17.9
81.07056	64.9
83.04975	4.9
83.08621	12.9
85.02904	9.4
85.06551	5.2
86.09704	3.4
91.03960	1.4
91.05479	32.4
93.06448	2.3
93.07044	48.3
94.07356	2.1
95.04968	12.1
95.08601	42.3
96.08949	2.3
97.02891	5.1
97.06522	6.7
97.10172	7.2
98.10535	1.3
99.04477	1.4
99.08076	1.7
103.05435	1.6
105.07035	20.8
107.04934	7.1
107.08592	24.3
107.09259	2.1
109.06535	8.2
109.10153	67.1
110.10496	2.3
111.04459	2.9
111.08057	5.2
117.07006	12.3
119.08582	19.7
121.06501	5.9
121.10146	21.4
123.08069	4.7
123.11715	4.9
125.06011	1.3
125.09608	5.8
127.03931	1.6
127.07608	1.6
128.06252	1.1
129.07022	4.6
129.86078	1.0
131.08577	13.0
133.10126	12.7
135.08052	2.9
135.11690	13.8
136.12003	1.6
137.05977	1.4
137.09608	4.4
137.13234	2.5
139.11229	1.3
141.07013	2.1
143.08571	4.1
145.10126	11.7
147.11697	7.3
149.09607	2.6
149.13275	6.0
151.11215	1.3
155.08577	1.3
155.10657	2.6
157.10136	3.2
159.08090	1.3
159.11665	10.0
161.09613	2.5
161.13286	3.8
163.11113	2.0
163.14854	2.5
169.10127	3.8
171.11574	2.8
173.11755	17.1
173.13278	7.9
175.11165	1.2
175.14798	2.5
177.12764	2.0
179.10753	1.3
183.11678	1.7
184.07344	2.0
185.13283	1.2
187.11227	3.4
187.14836	3.8
189.11229	3.5
199.14879	1.1
205.12308	3.0
209.05989	1.7
209.13298	1.5
211.13225	2.5
211.14973	1.5
215.17949	1.2
219.17271	1.1
223.07675	1.2
223.13290	11.2
227.07042	4.5
227.12871	5.7
229.14334	64.6
230.14732	2.7
243.21138	3.7
259.09601	2.6
259.20483	1.3
261.22137	18.1
262.22647	1.4
265.12256	3.6
267.16022	1.2
275.20001	1.2
277.21722	1.6
279.16000	2.4
293.21289	1.1
297.17035	24.1
298.17346	1.6
298.75516	1.2
313.27505	2.9
315.23181	1.3
317.24844	3.1
329.17383	2.3
335.25797	75.1
336.26132	6.0
439.32074	1.3
447.32788	1.8
465.33344	2.7
483.34485	2.0
489.29123	1.9
489.35733	24.9
490.35974	2.4
505.38446	1.6
507.36575	1.5
539.36957	2.9
557.38135	13.2
558.38599	2.0
575.39349	1.4
603.42023	2.0
645.46387	1.5
696.43604	6.7
727.41095	3.4
786.46710	5.8
787.46436	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	786.5719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.9
55.05267	1.1
55.05513	16.3
57.03437	11.1
57.07074	36.5
59.05005	0.6
60.83140	0.5
61.02991	0.5
62.11603	0.5
65.03944	1.5
67.05502	42.8
68.05845	0.8
69.07066	19.5
71.01354	1.0
71.04981	1.3
71.08628	26.4
72.08951	0.9
73.02894	1.7
75.04489	0.9
79.05485	10.9
81.07054	45.6
82.07377	1.1
83.04976	1.2
83.08118	1.0
83.08616	18.6
85.02898	6.2
85.06533	1.2
85.09700	1.1
85.10181	14.6
86.09686	2.2
89.06025	1.5
91.05029	0.6
91.05486	6.5
93.07039	11.5
95.01328	3.0
95.05032	0.5
95.08604	44.5
97.02885	0.9
97.06532	2.7
97.10154	6.5
99.08087	0.8
103.07561	1.6
105.04503	0.5
105.07014	4.2
107.08584	6.4
109.09415	1.1
109.10154	18.0
111.08066	1.3
111.11712	1.7
113.02364	2.6
113.09640	0.6
117.09143	0.5
119.08566	4.1
121.10146	6.5
123.08061	0.7
123.11694	7.9
124.99984	2.2
125.09614	1.1
127.11208	0.7
131.03403	1.3
131.08548	1.0
133.10141	4.5
134.15967	0.5
135.11696	3.0
137.13258	3.2
141.01843	3.4
147.11708	2.9
147.12724	0.5
149.13226	1.6
151.14851	0.8
155.14316	1.0
161.13306	2.5
163.14796	1.8
165.16354	0.9
175.14825	1.5
179.18115	0.7
184.07339	7.6
185.07736	1.2
189.16423	1.0
222.39429	0.6
239.23688	7.0
245.22681	5.0
257.24802	1.9
263.23697	6.6
313.27350	100.0
314.27637	7.9
337.27356	63.6
338.27701	4.3
341.76660	0.6
355.28622	0.7
415.26917	2.6
433.98557	0.5
458.41211	0.5
489.30472	2.1
513.30615	1.7
534.90125	0.6
575.50317	48.8
576.50598	6.3
601.19928	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	7.0
55.05511	49.2
55.45161	1.6
57.03439	14.9
57.07071	3.6
61.02922	10.3
65.03945	5.7
67.05505	77.8
69.03421	4.7
69.07069	30.6
71.05004	5.3
71.08624	2.8
73.02928	3.0
79.05491	75.0
80.05839	3.0
81.03418	13.4
81.07059	91.4
82.07391	2.8
83.04984	8.3
83.08617	22.0
85.02908	7.8
85.06548	5.4
91.03959	5.8
91.05480	92.6
92.05828	3.9
93.06448	3.9
93.07043	75.2
94.07361	2.2
95.04987	12.9
95.08605	67.6
96.08932	2.9
97.02901	6.8
97.06519	10.7
97.10178	11.1
98.22571	3.7
99.55618	1.9
103.05458	4.8
103.47817	1.7
105.04521	3.1
105.07030	74.7
107.04958	5.8
107.08595	31.0
109.06495	9.6
109.10151	21.0
110.10555	1.9
111.08105	7.1
115.05460	11.4
116.06282	4.8
117.07014	47.1
119.04978	2.4
119.08580	43.4
121.06497	8.6
121.10142	25.4
123.08070	11.1
123.11694	7.0
125.09651	7.5
128.06219	30.2
129.07010	34.0
130.07826	11.6
131.08566	88.8
132.08923	3.8
133.06508	10.1
133.10129	25.5
135.08051	6.1
135.11687	13.1
137.09639	5.4
139.11192	4.2
141.06996	11.9
142.07808	5.2
143.08563	98.3
144.09074	3.3
145.06500	2.7
145.10121	100.0
146.10489	4.0
147.08057	14.6
147.11679	16.0
149.09651	6.2
149.13284	6.8
151.07556	2.9
151.11159	3.1
153.06943	2.0
154.07834	2.4
155.08525	9.6
157.10132	31.3
159.08063	5.5
159.11708	23.4
160.12096	2.0
161.09630	13.7
161.13284	4.2
163.11221	6.0
163.14880	3.1
165.06963	4.2
165.12846	1.9
166.07748	2.4
167.08606	6.8
169.10104	22.0
171.11671	20.4
173.09662	6.4
173.13245	4.8
175.11230	5.9
175.14796	2.0
177.12794	6.9
178.54919	2.0
181.10110	13.2
183.11707	12.5
184.07314	3.9
185.13248	8.6
187.11195	3.1
189.12810	3.0
195.11665	25.4
197.13319	2.4
199.11223	4.4
199.14844	4.0
201.12810	5.2
209.13255	3.2
213.12823	4.5
227.17982	4.6
229.52464	2.6
231.13991	2.5
231.17342	2.4
237.16388	26.7
245.19087	5.8
255.17433	28.0
259.20605	2.2
261.22198	5.4
267.16028	4.0
273.18494	84.2
274.18793	4.7
275.20053	3.5
279.23251	4.5
283.69110	1.9
291.19464	4.1
307.65768	2.2
329.21094	8.4
335.25790	95.4
336.26120	10.1
347.22147	38.5
348.22452	2.2
520.11774	1.9
524.40265	2.9
527.36981	2.4
561.37518	5.6
607.43561	41.8
608.43774	10.7
787.44977	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	787.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.4
55.05260	1.8
55.05514	27.6
57.03440	11.5
57.07080	3.7
59.04993	1.9
61.02930	4.2
65.03936	4.7
67.05505	61.5
68.05833	1.1
69.03429	4.2
69.07069	19.3
71.05000	3.8
71.08619	1.1
73.02949	1.2
79.05495	52.5
80.06262	1.1
81.03407	2.7
81.07057	59.8
82.07401	1.7
83.04982	3.5
83.08617	11.7
85.02906	5.8
85.06544	2.6
91.03970	1.6
91.05482	58.6
92.05814	1.5
93.07045	49.1
94.07388	1.1
95.04969	6.8
95.08610	43.1
97.02898	4.0
97.06521	5.7
97.10184	6.3
99.04469	1.0
99.08109	2.3
103.05494	2.2
103.60285	1.0
105.04512	1.4
105.07033	47.8
107.04966	3.8
107.08594	21.4
109.06520	8.5
109.10164	14.9
111.08079	2.9
115.05430	7.5
116.06240	3.2
117.07021	31.0
119.04964	1.5
119.08585	27.2
119.09429	1.7
120.08832	1.1
121.06497	4.3
121.10149	18.9
123.08088	6.4
123.11723	4.8
125.09634	2.9
127.03918	1.0
128.06219	17.5
129.07010	19.2
130.07829	6.7
131.08569	54.8
132.08907	1.4
133.06499	6.2
133.10130	14.9
135.08075	4.4
135.11694	10.4
137.09636	2.2
137.13226	1.7
139.11189	2.2
141.06998	9.2
141.41212	0.9
142.07846	5.7
143.08560	56.3
144.08942	1.8
145.06519	3.1
145.10123	53.3
146.10503	3.2
147.08057	6.6
147.11687	8.3
149.09636	3.9
149.13246	4.8
151.07523	1.5
151.11182	2.4
153.07025	1.7
154.07796	1.4
155.06065	1.9
155.08546	7.5
157.06435	1.2
157.10129	17.6
157.67554	0.9
159.08096	3.3
159.11702	15.6
161.06061	0.9
161.09608	9.5
161.13240	3.6
163.11209	3.9
163.14844	1.5
165.06987	2.0
165.09067	1.6
165.12842	1.1
166.07784	1.2
167.08537	2.5
169.10136	12.1
170.10625	1.1
171.08067	1.5
171.11696	12.3
173.09665	3.2
173.13301	5.3
175.11206	5.7
175.14879	2.1
177.12729	4.7
180.09178	0.9
181.10130	9.7
182.10728	1.5
183.11687	6.4
184.07402	2.3
185.09695	1.6
185.13229	5.0
187.11229	2.1
187.14819	1.8
188.11479	1.0
189.12733	1.7
195.11694	15.3
196.12189	1.1
197.13289	2.1
199.11188	2.1
199.14850	2.7
201.12767	2.4
209.13304	3.2
210.91652	1.0
211.14856	1.9
213.12799	2.0
213.16338	1.5
227.17892	3.7
236.14977	1.7
237.16405	14.6
238.16595	1.2
241.14409	1.3
243.21190	1.7
245.19113	3.9
255.17471	16.0
257.18961	1.2
261.22165	5.2
273.18497	47.0
274.18781	4.1
279.23111	1.2
291.19626	4.1
297.24301	0.9
313.27176	1.3
315.28711	1.0
317.24942	0.9
329.21036	4.6
335.25803	100.0
336.26169	8.2
347.22174	25.0
348.22247	1.8
399.49734	0.9
542.38263	0.9
561.37195	1.8
607.43518	29.6
608.43573	4.3
625.44476	2.9
671.15363	0.9
787.54071	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	20.5
55.05258	2.5
55.05510	31.2
57.03436	17.8
57.07061	4.4
61.02913	3.5
65.03927	5.6
67.05502	93.9
68.05833	1.9
69.03426	12.0
69.07067	34.3
71.01357	1.9
71.05003	7.4
71.61170	1.2
73.02896	3.8
76.43638	1.3
79.05490	67.7
80.05832	1.3
80.06275	1.2
81.02962	2.7
81.03418	44.5
81.03895	2.8
81.07053	90.2
82.03767	1.3
82.04198	3.3
82.07371	1.9
83.04979	22.6
83.08618	19.4
85.02904	5.6
85.06544	8.0
91.05478	88.9
93.07043	55.0
93.39806	1.1
94.07334	1.6
95.01308	3.1
95.04965	30.9
95.08602	36.8
95.09211	2.1
96.08949	1.3
96.20105	1.3
97.02898	7.0
97.06523	18.8
97.10156	13.6
98.07338	2.5
99.04446	3.4
99.08086	2.4
101.05976	1.4
103.05463	3.6
105.04510	2.8
105.07028	83.1
106.07355	3.1
107.04959	24.5
107.08593	53.1
109.02893	2.4
109.06522	15.2
109.10152	58.9
110.10481	1.7
111.04430	3.9
111.08059	9.3
113.06012	2.7
113.09630	1.7
115.05473	2.9
115.07549	1.2
116.04748	6.9
117.07009	16.4
119.04942	2.3
119.08569	33.1
120.05698	1.5
121.06510	11.0
121.10130	18.6
123.04436	4.6
123.08072	10.1
123.11719	10.4
125.05996	1.7
125.09633	13.0
127.07552	3.9
127.11171	2.6
128.06226	2.8
129.05475	14.2
129.06973	11.2
131.07550	1.3
131.08559	27.5
133.06500	8.5
133.10123	96.0
134.10442	2.5
135.08046	12.6
135.11673	10.1
136.08766	1.3
137.05995	2.1
137.09616	5.5
139.11253	1.3
140.30797	1.3
143.07047	2.9
143.08566	9.0
145.04243	1.5
145.06503	2.8
145.10103	16.5
146.07349	1.3
147.08089	7.5
147.11656	15.8
149.09622	17.7
149.13200	2.7
151.07532	1.5
151.11179	38.7
153.12726	2.0
155.08505	2.9
157.08601	5.0
157.10109	10.0
159.08081	4.2
159.11682	8.1
161.09602	9.3
161.13251	5.1
163.07542	1.5
163.11163	10.2
165.09131	3.5
165.12752	2.8
167.10623	1.4
169.10080	2.7
169.12234	6.8
171.06598	2.4
171.10271	1.8
171.11649	3.5
173.09592	1.9
173.11803	2.1
173.13272	4.3
175.11201	10.7
177.09076	2.5
177.12796	3.9
179.10687	4.2
179.14290	3.5
181.12276	1.4
185.13235	2.7
187.11183	2.4
189.11209	3.5
189.12773	3.0
193.12234	10.4
199.11243	1.6
199.13278	3.2
199.14914	1.7
201.12953	1.6
203.14316	1.4
203.17905	1.3
209.11539	5.9
211.13304	5.0
215.12735	4.0
219.17365	2.8
223.13261	2.8
227.12778	7.7
227.17819	1.5
245.18927	6.1
251.12807	2.6
253.14339	100.0
254.14659	4.8
255.17535	2.8
257.19055	1.9
263.20035	4.2
267.15927	32.9
268.16177	2.6
271.15430	5.1
273.18494	29.8
274.18774	2.8
275.20007	24.2
279.15726	1.6
283.15399	5.0
291.19519	31.8
292.19861	1.8
293.21033	2.0
301.16422	32.9
302.16708	1.7
309.20587	2.1
347.22177	7.3
349.23718	15.7
365.23169	26.9
366.23685	2.2
497.27386	8.9
541.35187	74.9
542.35760	9.6
557.34344	2.5
559.35931	3.2
573.33990	4.8
574.35077	1.7
591.35132	32.1
592.35492	4.6
730.76196	1.4
744.49084	2.9
788.47925	2.4
789.40906	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	788.4422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	18.7
55.05511	33.2
55.37704	0.7
57.03437	13.5
57.07093	2.0
59.04987	2.6
61.02924	5.5
65.03937	3.0
67.05504	47.3
69.03426	12.2
69.07066	31.1
69.72330	4.7
71.01357	1.4
71.04967	4.6
73.02904	4.1
77.03922	1.5
79.05492	41.4
80.01882	0.8
81.03421	18.3
81.03898	1.2
81.07054	39.0
82.04205	2.7
83.01345	3.1
83.04977	14.3
83.08623	15.8
85.02912	5.7
85.06532	2.3
86.09695	2.2
91.03964	1.2
91.05480	33.8
92.05779	1.0
93.07046	32.4
94.04192	1.5
95.04967	20.5
95.08610	18.5
97.02898	11.7
97.06531	9.2
97.10169	17.8
97.25576	0.8
98.07304	3.5
98.23257	1.0
98.54884	0.8
99.08067	1.7
103.05457	2.4
105.03371	0.9
105.04504	1.6
105.07026	24.7
107.04957	12.5
107.08588	21.0
109.02888	1.5
109.06531	5.6
109.10150	16.9
111.04425	2.9
111.08083	5.8
113.06036	1.6
113.09531	0.8
115.05434	2.0
116.04713	5.9
117.07022	10.6
119.04956	2.2
119.08585	20.8
119.09427	1.2
121.06502	7.4
121.10145	10.3
123.04462	1.7
123.08080	8.6
123.11689	2.0
123.56604	0.9
125.09631	17.9
127.11230	1.1
128.06174	1.1
129.05484	15.3
129.06956	6.2
130.07771	1.2
131.08566	12.5
133.06499	5.2
133.10117	12.8
134.07251	1.4
135.04369	1.2
135.08075	5.5
135.11691	9.6
137.09639	6.0
139.07547	1.5
142.07773	1.2
143.06973	4.1
143.08575	5.3
143.10718	1.4
145.06459	1.9
145.10126	14.5
147.08044	7.5
147.11682	5.7
149.09599	6.2
149.13258	2.4
151.07533	1.2
151.11200	2.8
153.09079	2.5
153.12752	1.8
155.08588	1.8
157.08807	5.6
157.09920	5.4
159.08020	2.0
159.11653	4.3
161.09622	3.5
161.13255	2.0
162.10423	2.1
163.11169	10.0
165.09129	2.9
165.12849	1.1
171.10201	2.1
171.11646	1.8
173.09604	2.5
173.11839	2.1
173.13202	1.1
175.11147	5.4
177.12767	1.9
181.12238	2.6
183.11693	1.1
185.13237	1.3
187.11104	1.5
189.11172	7.8
189.12679	1.7
191.10719	1.0
193.12195	5.6
193.22887	0.9
195.13765	1.0
199.13278	3.6
200.14056	1.4
205.12245	1.7
209.11697	4.8
210.12448	1.3
211.13243	2.7
221.11684	1.5
221.68510	0.9
223.11218	0.5
223.13258	16.4
226.88570	0.8
227.12747	12.7
229.14365	1.3
231.17455	0.9
245.18930	1.9
249.14838	3.3
253.14375	2.5
257.19043	1.2
267.15863	8.2
273.18497	13.0
274.19049	1.4
275.20135	6.0
283.15405	16.6
284.16052	1.8
285.17078	1.2
291.19534	100.0
292.19836	6.0
301.16443	34.1
310.01816	0.8
347.21991	1.7
349.23804	6.2
365.23196	37.9
366.23526	3.3
379.20889	1.6
419.23944	1.8
436.20685	0.8
437.25330	2.7
461.28845	1.0
477.28320	1.0
490.32571	1.2
519.32880	1.7
520.53613	0.9
557.34772	12.1
558.35333	1.1
573.33917	3.6
574.35168	4.2
575.34882	1.0
591.35144	36.4
592.35980	4.2
788.48248	2.8
789.38885	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	25.0
55.05508	57.1
56.18963	1.5
57.03439	30.1
57.07066	4.9
57.12622	1.6
60.08157	2.5
60.37060	1.6
61.02917	9.4
65.03938	6.3
67.05502	94.9
69.03419	15.6
69.07068	37.8
70.64096	1.9
70.64441	4.1
71.01360	9.3
71.04990	11.5
73.02915	4.0
77.03930	2.8
79.05492	100.0
80.05812	2.3
81.03418	43.7
81.07055	92.8
82.07381	3.1
83.01343	10.5
83.04978	33.1
83.08622	30.2
84.02123	2.1
85.02901	17.4
85.06561	10.1
86.09684	2.3
87.04475	2.8
91.03963	3.5
91.05476	84.6
92.05776	2.7
93.07043	94.6
94.07375	2.5
95.04961	37.9
95.05532	2.8
95.08611	44.9
97.02904	17.0
97.06527	22.6
97.10168	10.1
99.04454	6.1
99.08067	4.2
103.05463	3.6
105.04528	4.1
105.06350	3.7
105.07028	57.2
106.07353	2.3
107.04951	28.0
107.08591	54.7
109.02890	3.2
109.06506	15.0
109.10149	27.1
111.04443	8.0
111.08099	12.0
115.05458	5.5
117.07019	28.2
119.08587	35.9
121.06502	10.8
121.10140	25.5
123.04460	2.4
123.08073	24.5
123.11710	8.0
125.05993	3.9
125.09631	13.0
127.07481	2.8
128.06219	4.2
129.05460	7.3
129.06990	15.6
130.07785	4.3
131.08566	24.9
133.06488	4.6
133.10127	44.6
135.08063	12.4
135.11684	44.4
137.05991	3.4
137.09608	7.4
139.07559	2.6
139.11209	2.3
141.24463	1.8
143.08574	8.3
145.06512	3.3
145.10109	32.7
146.53151	2.0
147.08049	8.7
147.11690	11.9
149.02371	3.6
149.09641	12.9
149.13206	4.2
151.11180	14.9
153.12749	5.8
154.62476	1.8
155.08545	5.0
157.08727	2.1
157.10110	7.5
157.13707	1.9
159.11697	7.6
161.09608	5.6
161.13239	2.1
162.15721	1.7
163.11177	43.1
165.09128	2.9
165.12741	3.9
169.10017	1.9
169.12260	3.1
171.11703	4.6
173.09613	8.0
175.11171	6.0
177.12715	3.4
181.12253	10.9
184.07277	4.5
185.09732	2.2
187.11284	1.9
187.13240	3.4
189.11276	3.5
191.10710	8.4
193.05029	5.3
193.12230	5.3
199.13232	2.9
209.11694	16.0
211.13414	4.2
223.13283	5.2
227.12732	10.3
227.18021	1.8
233.15430	2.3
237.07399	1.9
237.16464	1.8
243.15903	7.1
245.19043	2.7
249.14799	2.3
253.14326	21.0
255.15813	22.8
256.16214	2.0
263.20245	2.4
267.15900	12.2
268.16559	3.0
269.17523	3.6
271.15390	2.2
273.18469	15.1
275.19998	5.4
283.15381	79.3
284.15765	6.1
285.16882	9.0
291.19504	28.2
292.20081	3.0
293.20840	2.0
298.17279	2.0
301.16443	8.9
309.20633	1.9
347.22171	4.0
349.23743	3.9
365.23196	12.2
451.26645	12.2
463.26987	17.9
475.26691	3.0
477.28281	7.4
479.26587	4.8
493.28217	4.0
519.33130	1.9
557.34705	2.9
573.34021	11.6
591.34863	8.4
602.51703	1.9
788.48315	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	788.4426
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	9.4
55.05508	33.2
57.03436	21.9
57.07068	1.7
59.04995	12.1
61.02921	2.8
63.95769	0.7
65.03947	1.9
67.05502	45.0
68.05859	1.0
69.03420	5.8
69.07065	10.7
69.18493	0.9
69.62374	4.5
71.04995	10.5
72.77028	0.8
73.02924	1.5
78.98776	0.8
79.05486	42.1
79.58833	0.7
80.05825	1.1
81.03414	58.7
81.07052	41.3
81.63056	0.7
82.03753	2.1
83.01350	6.1
83.04977	23.7
83.08614	31.1
84.02115	1.6
85.02898	22.9
85.06554	3.2
87.04468	10.6
91.05476	40.6
92.05811	1.7
93.07040	33.0
94.07362	1.0
95.04350	1.4
95.04962	26.4
95.08600	16.9
97.02886	6.7
97.06521	6.9
97.10160	14.0
98.23225	1.3
99.04454	6.6
99.08096	1.2
103.05473	2.2
105.04508	1.2
105.07024	22.2
107.04955	12.6
107.08589	22.0
109.02877	1.9
109.06521	10.3
109.10153	20.0
111.04446	8.7
111.08086	11.2
113.06018	2.3
115.05477	2.3
117.06995	10.2
119.04955	2.4
119.08574	28.7
120.08932	0.8
121.06511	5.4
121.10146	13.6
123.08055	9.7
123.11685	1.9
125.05991	3.1
125.09639	11.5
127.03928	1.2
129.07005	11.8
130.07777	1.5
131.04959	1.4
131.08549	14.7
132.05650	1.1
133.06499	3.9
133.10110	10.6
135.08073	6.9
135.11690	11.1
137.06006	3.3
137.09602	6.2
142.07803	3.1
143.08595	2.7
143.10713	1.0
145.06511	3.9
145.10124	19.1
147.08040	5.6
147.11682	13.2
149.06041	1.2
149.09589	7.8
149.13332	0.9
151.03917	1.7
151.07500	1.2
153.09152	1.0
153.12756	5.9
155.08577	3.1
157.10124	12.2
159.08023	5.6
159.11713	1.1
161.09666	1.6
163.07520	2.5
163.11176	22.8
165.09074	1.0
165.12755	2.3
167.10764	1.0
169.10199	1.0
173.09586	4.9
173.11723	5.3
173.13069	1.0
175.11176	11.2
177.09102	0.9
181.12253	5.3
187.11238	1.0
189.11203	4.0
191.10637	6.4
193.12239	31.5
194.12570	1.3
199.13344	3.2
209.11655	10.0
211.13275	52.3
212.13663	2.8
215.66866	0.9
217.14551	0.9
223.13327	1.3
227.12759	11.5
229.14357	11.9
243.17397	1.2
249.14873	1.0
261.18509	1.9
267.15933	20.6
268.16171	1.7
271.16940	3.0
283.15384	32.5
284.15826	1.0
285.16949	50.3
286.17468	2.9
287.05557	1.2
289.17966	12.2
290.18320	1.5
298.43707	0.9
299.08997	1.3
307.19077	6.7
313.10477	0.9
315.18051	1.2
345.20914	1.2
363.21631	5.6
381.22690	20.2
382.23151	1.3
383.24301	1.7
401.22934	1.0
457.25806	4.7
475.26874	25.5
476.27405	2.0
493.27942	100.0
494.28171	11.0
555.33447	6.7
556.33838	1.4
573.34094	14.2
574.34180	2.3
591.35181	27.3
592.35413	3.0
761.01831	0.9
788.37396	1.2
789.38538	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.8
65.23418	0.4
67.05505	1.1
67.40545	0.4
69.03439	0.5
69.07050	0.5
70.51423	0.9
79.05508	0.6
81.03435	0.9
81.07055	1.3
91.05500	1.3
93.07055	1.3
95.04947	0.6
95.08626	1.0
105.07054	1.3
107.04947	1.1
107.08652	0.7
109.02890	0.5
109.10175	0.7
111.08155	0.5
117.36859	0.4
119.08618	0.5
121.02829	0.5
121.06494	0.5
121.10157	0.9
123.04429	0.6
127.03915	0.8
129.07007	0.4
131.04939	0.5
131.08580	0.5
133.06511	0.6
137.05981	1.1
137.09663	0.6
139.03914	0.7
145.06451	0.5
147.04262	0.5
149.09665	0.5
151.03917	1.1
153.01874	1.1
157.10081	0.5
161.06075	0.6
163.03976	0.9
163.07596	0.8
165.09200	0.7
167.07088	1.7
169.04784	0.8
175.07657	0.4
176.04510	0.6
177.05434	0.6
181.05026	0.7
189.05284	1.8
201.11159	0.4
203.06873	0.9
205.04723	12.4
205.06477	0.7
205.08427	0.5
205.12190	0.4
207.09874	0.6
215.68349	0.4
217.08371	0.4
218.05470	3.3
219.06255	2.9
231.06346	0.6
232.07164	1.7
233.07895	1.6
234.08632	18.0
235.09343	1.4
247.09587	1.8
249.07318	2.2
249.11150	0.5
250.08253	0.9
299.09131	0.8
325.11508	0.5
331.52188	0.5
351.14200	4.5
413.15540	0.5
436.12192	0.4
447.17349	0.5
461.17795	4.8
547.21399	7.4
561.23157	9.7
562.23358	1.1
577.22668	0.5
720.83514	0.5
753.34045	0.5
789.32935	100.0
790.33258	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	789.5142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	10.4
55.05511	28.7
57.03441	14.9
57.07062	5.0
65.03952	7.3
65.23850	3.4
67.05504	77.5
67.07805	2.9
69.04062	9.0
69.04482	22.7
69.07063	34.7
71.04983	3.7
73.06560	2.9
79.05489	58.1
81.03423	7.2
81.07056	100.0
83.04942	6.0
83.08601	9.3
86.09691	6.2
91.05483	63.4
93.07042	70.3
95.01328	7.1
95.04963	11.7
95.08608	58.7
97.06547	20.1
97.10151	4.6
98.22629	7.7
99.08109	4.1
105.07029	68.6
107.04935	11.6
107.08582	36.5
109.06525	8.8
109.10153	21.7
111.08051	4.6
117.07010	17.8
119.08577	43.5
121.10154	27.8
123.08139	3.3
123.11736	6.0
124.99995	9.2
131.08580	28.6
133.10106	39.3
135.08078	3.2
135.11685	15.7
137.05919	5.1
137.09589	3.5
143.08560	3.3
145.10120	16.2
147.11707	15.7
149.09619	5.8
149.13229	4.7
153.05455	5.3
157.10123	4.3
159.11678	14.4
161.13251	8.5
163.11227	4.3
165.09203	4.0
179.14308	8.6
184.07361	31.1
185.07719	4.6
217.78023	3.6
219.17429	45.3
220.17764	4.0
223.09720	3.9
236.14931	3.8
257.18930	3.3
275.20062	61.4
335.25793	91.1
336.25974	5.8
343.19006	5.0
349.23788	18.6
383.80231	3.3
392.03647	3.2
504.90656	3.3
563.37018	7.0
609.35217	4.5
609.45087	94.1
610.45319	12.1
790.57727	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	790.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.9
57.03418	0.3
60.32437	0.2
63.24312	0.2
67.05501	1.5
69.03421	0.6
69.07054	0.6
69.52348	1.2
76.87567	0.2
79.01861	3.7
79.05494	2.7
81.03419	2.3
81.07055	22.4
82.07391	0.4
83.04989	0.5
83.08591	0.2
85.02894	0.4
86.09721	0.3
86.42979	0.2
91.05476	1.5
93.07037	1.4
95.04974	0.6
95.08613	2.5
97.02897	1.3
97.06532	0.3
97.10173	0.6
105.07037	1.0
107.01317	0.6
107.04981	0.4
107.08604	0.7
109.02866	3.0
109.06548	0.2
109.10182	0.6
111.04384	0.3
117.06983	0.4
119.08590	0.6
121.10149	0.8
125.02341	2.0
125.09641	0.3
127.03913	0.8
131.04935	0.3
131.08575	0.3
133.10124	0.3
135.04330	0.2
135.08034	0.2
135.11707	0.5
137.05971	0.4
137.13240	4.2
143.03392	4.3
145.10155	0.7
147.11685	0.7
149.06020	0.2
149.13220	0.4
151.03928	0.6
153.01825	100.0
153.02870	4.4
154.02171	2.4
157.10123	0.3
159.04424	0.5
159.11646	0.5
160.00671	0.2
163.03906	0.3
163.07426	0.3
164.08403	0.3
171.02959	0.3
177.05501	0.3
181.01344	0.4
190.69955	0.2
191.10828	0.3
193.12169	0.7
197.00745	0.3
205.04878	0.5
211.13281	0.6
213.47853	0.2
215.03416	0.4
227.12785	0.9
233.04436	1.4
237.04007	0.2
243.02934	0.4
245.15424	0.3
261.03958	2.4
267.16086	0.3
279.04999	2.3
283.15567	0.5
297.05984	0.6
349.23691	0.3
380.86630	0.2
395.54919	0.2
424.98886	0.3
437.25067	0.3
449.07098	3.1
467.07877	0.4
477.28278	0.3
519.56744	0.2
557.34229	0.4
575.35620	0.5
603.20105	0.2
619.08997	2.5
637.78223	0.3
694.48303	0.3
789.38208	0.2
790.43860	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4574
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	18.4
55.05508	35.7
55.75880	1.5
57.03438	24.2
57.07069	1.9
59.04993	2.9
61.02937	4.5
65.03933	4.0
67.05502	100.0
69.03426	11.4
69.07064	49.6
69.50039	3.3
69.50449	7.0
71.01345	2.4
71.04988	8.1
73.02921	2.9
79.05486	66.6
81.03415	75.2
81.07053	73.7
82.03754	2.2
83.04979	26.5
83.08615	34.6
85.02906	29.1
85.06528	6.7
91.05477	83.0
92.05823	2.2
93.07044	58.3
95.04964	39.1
95.08608	46.1
95.09206	3.2
97.02863	10.5
97.06536	21.3
97.10157	10.8
98.22652	3.7
99.04470	2.6
99.08125	3.2
105.04504	2.5
105.07030	56.6
107.04948	18.0
107.08590	27.8
109.02888	1.9
109.06532	11.0
109.10148	33.5
111.04437	3.3
111.08090	17.1
113.06013	2.9
115.05458	4.9
117.07027	14.9
119.08575	42.6
121.06477	3.9
121.10129	16.7
123.08078	9.7
123.11735	5.5
125.09626	7.6
127.03924	2.6
127.48866	1.7
128.06219	2.3
129.05522	4.4
129.06989	17.1
131.08574	28.4
133.06468	4.4
133.10126	35.5
135.08006	3.4
135.11690	10.1
137.09604	13.0
141.06989	2.1
142.07767	5.4
143.08589	4.8
145.10121	16.4
147.08034	6.4
147.11671	27.1
149.09601	25.4
149.13255	3.5
151.11186	4.8
155.10637	2.2
157.08582	2.5
157.10141	17.4
159.11697	10.2
161.09612	3.2
161.13260	5.9
163.11188	7.0
165.12743	3.9
169.10126	2.7
171.10248	2.7
171.11687	3.2
173.11726	7.4
173.13263	5.0
175.11201	18.0
177.12764	3.9
179.14326	5.0
185.13292	2.1
187.11176	3.1
189.11218	4.2
193.12245	58.7
193.13974	4.0
197.13205	2.6
211.13275	63.8
223.13191	2.1
227.12820	3.8
229.14355	7.5
247.20496	3.0
249.14996	2.3
257.19046	9.1
267.15909	24.3
268.16345	1.9
269.17496	3.7
275.17078	2.8
275.20035	36.0
276.20178	3.0
285.16949	55.4
286.17102	1.8
291.19513	7.1
293.21069	4.1
301.16507	3.1
347.22061	1.8
349.23697	35.1
350.24222	2.7
360.58447	2.0
381.22668	3.9
421.25906	2.1
439.26923	10.2
447.27457	3.3
479.29681	2.4
495.29837	2.7
530.11072	2.1
541.35162	12.0
559.36255	28.6
560.36377	3.5
577.36938	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4577
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	13.0
55.05511	38.8
57.03435	30.6
57.07066	2.8
59.04994	4.5
61.02926	6.1
65.03943	6.0
66.62025	1.8
67.05502	85.4
68.05843	2.2
69.03429	18.8
69.07065	51.7
71.01320	2.8
71.04993	24.1
71.08659	1.6
73.02912	4.8
73.91264	1.6
77.03941	2.7
79.05489	79.2
80.05837	2.9
81.03414	77.0
81.07053	100.0
82.07420	2.3
83.04976	30.5
83.08617	32.8
85.02902	31.6
85.06559	5.7
86.09723	4.8
91.03951	2.2
91.05476	84.9
92.05807	2.4
93.07038	67.6
94.07347	2.8
95.04966	39.0
95.05537	2.9
95.08601	47.3
96.05331	2.1
97.02901	15.4
97.06528	86.9
97.10170	11.4
99.04468	5.4
99.08102	6.7
103.05478	5.6
105.04534	2.6
105.07023	58.7
106.07381	2.9
107.04948	21.8
107.08590	42.7
109.02872	5.2
109.06522	26.5
109.10146	20.8
110.10476	2.3
111.04442	3.8
111.08076	18.1
113.06006	3.3
115.05452	5.1
115.07550	25.9
116.06281	1.8
117.07005	23.7
119.08572	44.8
121.06503	11.7
121.10148	28.3
123.04461	2.3
123.08041	13.4
123.11732	5.2
125.05984	4.8
125.09646	8.2
127.03941	8.8
127.07561	3.9
128.06255	4.0
129.05556	2.1
129.06987	20.7
129.07852	2.0
131.08562	36.2
133.06485	10.2
133.10130	35.4
135.08049	13.6
135.11705	14.5
137.05989	7.2
137.09627	4.8
139.11287	2.4
141.07027	3.6
142.07784	3.4
142.78233	2.5
143.08592	11.3
145.06480	4.3
145.10121	20.4
147.08058	9.7
147.11693	21.3
149.09615	12.6
149.13194	10.2
151.03952	2.8
151.07520	3.8
151.11208	5.0
153.01813	6.8
153.12769	2.1
155.08481	3.5
156.24736	2.1
157.10133	18.7
159.08005	3.5
159.11696	14.2
161.06023	1.9
161.09641	8.8
161.13202	3.2
163.11150	15.0
165.09132	2.7
165.12802	5.0
169.10185	3.3
171.11705	5.4
173.04465	5.1
173.09641	5.4
173.11826	2.8
173.13278	5.9
175.07555	2.5
175.11177	17.1
175.14871	2.1
177.12798	6.5
181.12283	4.3
183.11662	2.5
184.07391	3.4
185.13264	5.0
189.11197	3.1
189.12769	3.9
191.10757	2.4
193.12228	46.3
195.11850	2.3
195.13802	5.7
199.14810	4.2
201.07550	3.0
203.14369	2.0
209.11748	4.0
211.11232	3.2
211.13252	57.9
212.13615	3.3
213.12727	2.2
217.15852	9.8
221.15289	3.7
227.12733	9.6
227.17926	3.6
229.14380	7.5
233.15402	3.2
245.19044	3.6
249.14897	3.1
253.14417	3.7
255.17410	3.7
267.15909	24.1
269.17444	19.2
273.18463	36.9
274.18976	2.2
275.20068	12.6
283.15366	31.5
285.16943	47.1
286.17493	3.1
291.19571	18.0
293.21344	3.1
307.19031	3.2
347.21994	12.2
349.23801	10.3
365.23276	9.3
367.24789	2.9
437.25500	11.3
454.68390	2.2
461.28903	11.2
465.29166	5.7
477.28384	23.9
478.28528	2.8
479.30057	17.6
517.31580	2.5
539.33929	3.3
557.34778	21.8
575.35699	24.7
593.36438	4.7
790.38922	2.1
791.38818	2.5
802.97504	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4575
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	18.9
55.05261	3.3
55.05512	48.5
55.98264	2.0
57.03434	33.5
57.07054	2.2
61.02920	6.7
65.03920	6.5
67.05504	97.1
69.03434	19.6
69.06716	2.6
69.07066	33.7
69.76283	3.9
69.76678	5.0
71.01336	5.0
71.04997	15.4
71.05332	2.8
73.02914	5.9
77.03888	2.5
79.05495	91.2
81.03417	61.0
81.07056	100.0
82.04185	3.5
83.04974	24.7
83.08616	28.9
85.02901	18.3
85.06548	5.9
91.03927	3.0
91.05482	96.4
93.06448	4.1
93.07044	75.4
95.04963	37.7
95.08602	35.2
97.02894	13.0
97.06533	19.7
97.10163	14.2
98.07319	2.6
99.04498	2.5
99.08069	2.8
103.05441	2.5
105.04508	3.5
105.07029	49.0
106.07327	2.4
107.04963	19.9
107.07933	2.9
107.08594	36.9
109.02892	2.5
109.06521	13.4
109.10152	21.1
111.04428	3.8
111.08071	16.3
113.06007	3.8
115.05428	3.8
116.04695	6.0
117.07015	13.7
119.08578	39.0
121.06500	6.7
121.10134	16.7
123.08076	12.2
123.11716	6.8
125.09589	11.0
127.03894	3.0
128.06198	2.4
129.05507	15.7
129.06987	14.9
131.08571	25.5
133.06480	2.9
133.10129	34.8
135.08025	6.1
135.11705	21.0
137.09619	6.4
142.07767	2.8
143.06990	2.8
143.08577	5.5
145.10120	15.2
147.08064	5.1
147.11678	17.6
149.09602	13.8
149.13237	10.8
151.11142	5.0
155.08554	3.5
157.08612	6.9
157.10114	14.2
159.11720	13.6
161.09599	2.6
163.11159	10.5
165.12747	3.9
167.65239	1.9
171.11668	3.4
173.13199	3.4
175.11154	14.6
177.12701	3.5
181.12286	5.1
183.11736	3.1
184.07365	2.1
189.11214	4.8
189.12767	2.7
193.12236	35.8
193.52742	1.8
195.13817	7.9
199.13225	5.2
209.11803	2.3
211.11432	3.3
211.13295	35.8
227.12828	7.4
229.14163	2.2
233.15398	2.3
243.15945	3.8
251.63023	1.9
253.14294	6.4
255.15872	13.0
267.15918	20.7
269.17444	22.4
273.18536	2.3
275.20023	11.2
283.15359	4.0
285.17017	21.7
291.19473	5.6
301.16461	30.4
349.23615	8.1
393.26767	2.2
404.10559	2.4
409.26166	2.4
423.27365	3.1
447.27469	3.8
461.29053	4.2
465.28702	3.5
477.28198	4.7
481.27667	4.8
495.29550	16.7
557.34467	2.6
559.35962	2.4
575.35596	4.1
593.36340	2.7
736.01581	2.2
791.40924	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	790.458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	7.0
55.05512	32.6
55.05783	1.8
57.03439	17.6
57.07074	2.0
59.05002	3.8
61.02938	4.8
65.03938	3.1
67.05506	100.0
68.05854	2.1
69.03423	4.1
69.07069	21.4
71.04989	7.7
71.08637	0.9
73.02923	3.2
79.05497	41.3
80.05819	0.9
81.03419	11.2
81.07057	76.2
82.06002	0.8
82.07394	2.4
83.01363	1.3
83.04984	8.6
83.08128	1.1
83.08626	22.8
85.02910	11.0
85.06522	6.8
87.04487	4.1
91.03983	1.3
91.05482	28.2
93.07047	44.1
94.07362	1.2
95.04982	8.0
95.08608	24.8
96.08946	0.8
97.02898	5.0
97.06531	8.4
97.10165	14.3
99.04454	1.3
99.08100	2.9
103.05501	1.6
105.04528	1.2
105.07036	12.2
107.04967	3.9
107.08595	29.7
107.47623	0.8
108.08964	1.0
109.06525	4.6
109.10160	50.9
110.10508	1.7
111.04437	1.9
111.08080	5.9
115.05486	1.0
116.04685	1.1
117.07016	10.3
119.08588	9.7
121.06536	3.6
121.10126	12.8
121.10963	0.9
123.08083	3.0
123.11707	5.9
125.06020	1.0
125.09624	11.0
129.05499	2.8
129.07014	2.6
131.08594	8.3
133.06537	1.1
133.10143	16.5
135.08080	3.0
135.11694	10.5
137.05951	1.0
137.09645	3.7
139.11244	1.0
143.10725	1.1
145.10133	5.3
145.46298	0.8
147.08113	1.1
147.11696	4.9
149.09660	2.6
149.13257	15.2
150.13692	1.0
151.11188	2.7
153.12704	2.3
155.10699	2.9
157.08708	1.1
157.10045	0.9
159.11694	8.4
163.11215	4.7
165.12726	1.0
173.09590	1.2
173.10220	1.1
173.11743	13.9
173.13144	1.3
175.11064	1.1
177.12712	4.2
181.12254	2.1
189.11165	1.6
191.10707	1.6
193.12277	2.4
195.13802	11.3
199.13203	4.9
209.11743	5.3
211.13402	1.9
211.91321	0.8
213.14919	2.1
227.12744	5.3
229.14336	38.3
230.14676	2.1
257.13876	1.5
261.22217	1.2
267.15921	2.9
269.17480	59.6
270.17874	3.0
275.20007	1.5
279.23325	1.6
283.15393	2.6
293.21164	1.6
297.24210	1.0
301.16522	10.0
301.19879	1.5
348.86060	1.1
393.26566	1.5
399.23813	18.5
400.24121	2.3
411.27744	4.0
423.27408	32.8
424.27539	1.8
477.28625	1.8
495.29346	7.3
496.30551	1.2
513.30267	2.0
522.15576	1.0
535.35803	1.0
545.39673	1.0
593.36859	36.6
594.37036	3.5
746.50134	1.0
791.43402	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	5.1
55.05508	35.8
56.05851	1.0
56.47032	1.1
57.03435	20.2
57.07069	2.8
58.06574	2.0
59.04701	1.8
59.04997	34.7
61.02914	3.7
65.03922	3.0
67.05501	100.0
69.03420	5.3
69.07062	15.7
71.04994	12.6
73.02905	1.5
79.05486	46.7
81.03416	5.3
81.07050	58.7
83.04974	5.7
83.08617	14.9
85.02895	7.1
85.06528	4.2
87.04461	55.7
89.89550	1.0
91.04944	2.0
91.05475	25.8
93.07040	42.6
95.04947	5.4
95.08598	30.9
96.08964	1.1
97.02882	4.1
97.06516	4.5
97.10169	16.7
98.22537	2.7
99.04445	15.8
101.06030	1.7
105.04467	1.3
105.07024	17.0
107.04945	2.6
107.08582	26.5
109.06503	1.9
109.10150	56.5
110.10460	1.3
111.04433	2.6
111.08093	3.1
117.06998	4.8
119.08575	15.4
121.06496	2.0
121.10133	19.0
123.08035	2.7
123.11687	4.3
125.09608	14.2
131.08571	10.6
133.10126	8.8
135.08054	1.7
135.11656	10.6
137.09612	2.4
143.08559	1.2
143.10628	1.7
145.10123	8.0
147.08054	1.6
147.11682	6.8
149.09604	2.6
149.13174	5.4
151.11189	1.5
155.08528	1.4
155.10657	4.5
157.10153	1.8
159.11687	3.8
161.13295	2.3
163.11188	3.1
163.14821	1.9
171.11710	2.2
173.09599	1.5
173.11719	17.4
173.13260	4.4
175.11243	1.6
175.14803	1.5
181.12178	1.2
184.07315	1.5
185.13280	1.4
189.11243	2.4
191.10600	1.8
193.12248	1.3
199.13274	8.2
207.49927	1.1
217.14307	1.8
223.13182	2.1
227.12781	2.9
229.11140	1.6
229.11707	1.8
229.14322	37.4
230.14589	1.5
236.14822	5.7
241.14355	3.9
243.21118	2.1
257.13766	2.2
259.20566	2.4
261.22110	11.1
267.15839	5.9
277.21338	1.3
289.21481	1.8
315.17966	6.6
317.24762	2.2
335.25775	50.5
336.26074	4.1
363.25290	3.8
438.05289	1.1
459.34528	2.1
477.35712	14.9
478.35831	1.7
489.35675	38.8
490.35922	3.7
543.36249	2.3
575.39459	1.5
593.40234	1.9
768.86169	1.3
790.58459	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	791.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.9
57.03452	1.0
57.59366	1.0
62.09830	0.8
65.03944	4.8
66.04722	1.5
67.05502	3.0
69.03443	1.4
69.07072	2.5
69.76791	4.2
74.78732	0.8
77.03934	0.8
78.04716	2.3
79.05491	12.2
81.03398	1.0
81.07069	3.4
83.92535	0.7
85.02916	2.1
91.05479	13.4
93.03423	2.0
93.07032	6.5
94.04186	1.1
95.04962	7.2
95.08596	2.4
97.06520	1.5
103.05458	12.2
105.04491	1.5
105.07027	24.6
106.04159	2.1
107.04951	28.3
107.08595	1.6
109.06518	2.9
110.03676	2.6
111.04436	1.9
115.05463	4.6
117.07015	2.9
118.04168	7.0
119.04956	1.4
119.08624	1.8
120.05707	1.3
121.06505	24.3
121.10117	1.5
123.04429	7.2
124.05210	5.4
125.05989	2.6
129.07016	1.4
130.07816	1.3
131.04951	2.3
131.08585	1.9
132.05737	1.3
133.06480	23.5
135.04424	2.4
135.08063	10.0
137.05965	6.9
138.03162	1.2
138.06738	5.1
140.04738	0.9
142.02684	1.5
143.08543	2.6
145.06541	1.3
145.10123	5.9
147.04431	1.4
147.08061	2.3
148.05182	3.0
149.05960	7.8
150.06767	7.3
151.03848	2.2
151.07553	9.6
152.04730	2.7
153.05479	3.7
154.06238	2.9
155.07100	1.1
157.06468	1.5
158.07307	4.1
159.05577	1.7
159.08069	2.0
161.06021	4.6
161.09645	2.5
163.03880	1.8
163.07541	17.3
163.11240	1.0
164.08090	0.9
164.51260	0.9
165.05484	5.6
165.09114	15.2
166.06247	1.4
167.07031	84.9
168.07381	3.4
171.06517	2.5
173.08316	1.4
173.09613	8.1
174.06798	0.9
175.07545	3.1
176.04628	1.1
176.93657	0.9
177.05464	27.9
177.06966	1.6
177.09160	1.1
178.06152	2.0
179.03499	1.1
179.07126	3.9
179.10637	15.1
180.07837	1.1
181.04944	78.0
182.05307	2.4
183.06606	1.3
189.09074	4.9
191.10706	4.6
192.07848	1.6
193.08592	100.0
194.09280	5.6
195.10155	50.3
196.10643	0.9
199.07440	1.0
201.09119	15.1
202.09549	1.0
203.10739	0.9
205.08699	1.2
207.06554	1.3
209.08075	22.9
210.08720	1.8
211.07498	1.0
216.11385	7.7
219.10167	2.8
220.10851	1.3
221.11703	5.0
231.10304	1.3
233.11679	7.1
249.11310	4.5
251.12840	3.5
259.13361	3.6
270.09109	0.9
271.09485	1.2
277.14423	3.3
281.11710	1.9
285.11227	1.1
297.11224	3.2
298.11887	1.3
312.13446	2.1
313.07120	1.3
313.14133	4.5
328.09332	1.8
329.10257	1.8
329.13907	2.4
344.16147	2.0
345.13501	1.4
355.15347	3.7
385.16574	2.9
387.18011	8.5
388.18750	1.0
394.67877	0.8
403.17471	17.7
404.17761	1.7
413.19595	2.4
429.09244	0.8
431.20511	5.6
791.39978	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.9
55.05515	3.4
56.87996	0.5
57.03450	3.9
57.36971	0.5
58.06587	0.9
59.04997	1.5
61.02934	7.0
62.37385	0.6
65.03941	0.8
67.05504	10.4
69.03428	5.2
69.07068	2.4
70.72268	0.6
71.01362	0.8
71.05000	1.7
73.02922	5.2
79.05496	6.3
81.03417	4.2
81.07060	8.9
83.04997	0.9
83.08639	1.5
85.02905	7.8
87.04486	1.3
89.06054	1.7
91.03964	4.2
91.05492	5.9
93.07053	7.5
94.07339	0.5
95.04945	1.1
95.08608	5.8
97.02907	6.0
97.06532	1.1
97.10211	0.8
99.04462	1.4
101.02385	2.4
101.38140	0.5
103.03955	0.7
105.07047	3.5
107.04971	1.0
107.08636	2.6
109.02885	1.2
109.06534	0.8
109.10174	4.3
111.04504	0.8
111.08118	0.9
115.03959	0.6
117.07040	1.1
119.08582	2.6
121.06531	1.2
121.10134	3.4
123.08072	0.7
123.11723	0.8
123.61684	0.6
127.03907	1.2
129.07082	0.5
131.08607	1.8
133.10155	2.0
135.11742	1.9
137.09613	0.6
145.10103	0.9
147.11670	1.0
149.13251	0.6
159.11679	0.7
173.95314	0.5
184.07375	1.3
185.04243	0.7
187.11325	0.6
223.13498	0.7
229.14395	0.6
236.15027	2.0
237.14957	0.6
243.08437	2.7
295.15173	5.5
335.26144	0.9
338.27838	0.7
339.28946	0.6
448.78607	0.6
502.38467	0.5
513.23090	7.0
519.29315	6.0
520.30164	0.7
684.00952	0.6
720.70996	0.6
791.45380	100.0
792.45874	20.9
792.58850	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.4738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	8.2
55.05254	4.2
55.05509	37.7
57.03438	26.7
59.05006	2.5
61.02924	4.8
65.02946	1.7
65.03956	3.5
67.05505	100.0
69.03428	11.5
69.07068	23.3
69.27267	1.7
70.46571	4.5
71.04988	11.3
73.02934	3.8
79.05042	4.8
79.05492	62.4
81.03419	99.0
81.07056	97.2
82.07401	4.3
83.04980	27.1
83.08621	44.3
85.02905	32.6
85.06550	7.2
86.09708	4.2
91.05481	73.5
92.05772	2.1
93.07043	59.9
93.07610	3.8
93.93893	2.1
95.04964	38.7
95.08604	39.6
96.08943	2.0
97.02918	9.7
97.06528	12.1
97.10160	14.2
99.04482	3.1
99.08097	3.2
103.05463	2.9
105.07030	55.5
107.04955	14.8
107.08592	43.2
109.02879	3.6
109.06534	11.4
109.10149	57.2
110.10452	2.8
111.04462	5.0
111.08074	19.4
113.06007	5.1
115.05488	3.9
117.07034	16.3
119.08577	42.4
121.02874	2.8
121.06503	5.8
121.10145	24.3
123.04400	2.6
123.08052	9.8
123.11725	6.6
125.09650	9.0
127.03942	4.2
129.07011	17.8
131.04955	2.2
131.08578	26.2
133.06512	7.0
133.10110	29.4
135.08064	4.3
135.11671	10.4
137.06004	6.2
137.09630	6.1
139.03877	3.1
142.07811	3.2
143.08647	2.4
145.06464	2.2
145.10121	16.5
147.08073	5.7
147.11668	27.9
149.09610	16.0
149.13246	11.9
151.07588	3.0
151.11198	3.7
153.01840	5.6
157.05002	3.1
157.10139	21.8
159.11674	10.6
161.05963	4.8
161.09648	3.0
161.13252	4.0
163.07561	3.6
163.11197	7.8
165.09042	2.5
165.12764	4.2
167.07074	5.3
169.10138	2.9
171.11737	4.1
173.09662	2.6
173.11761	11.6
173.13188	3.4
175.11176	20.4
177.12793	4.3
181.04955	2.9
183.11641	2.6
184.07434	3.3
189.11278	4.9
193.12231	52.5
194.12639	4.6
202.02109	2.1
203.10625	2.1
207.06483	2.6
211.13289	74.9
212.13646	3.5
227.12720	13.1
229.14313	31.4
239.17999	3.0
247.20560	2.6
257.19025	8.7
267.15930	38.6
268.16165	3.2
269.17477	23.1
270.17819	2.5
275.20068	39.7
285.16949	69.8
286.17340	4.1
293.21146	6.3
313.10773	3.3
325.10455	2.6
331.22623	3.6
341.09946	5.4
349.23737	25.1
350.24084	3.2
367.24884	10.7
421.25876	11.7
422.35922	2.4
439.26895	84.8
440.27182	8.5
443.28262	2.7
461.29056	16.3
462.28918	2.6
479.30026	68.1
480.30469	6.7
541.35242	22.6
559.27814	3.0
559.36322	48.1
560.36426	7.0
577.37299	20.8
583.30554	3.8
585.28503	6.2
623.33942	2.9
681.92926	2.2
689.32056	4.9
792.32343	4.3
793.39673	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	792.5615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	21.2
61.41771	12.8
66.00488	10.3
67.05503	92.1
67.76107	11.5
68.93312	12.3
69.07066	31.3
70.75293	13.3
79.05483	46.6
81.07064	100.0
82.94481	12.0
83.08612	20.5
87.60925	12.4
89.03354	13.6
91.05462	37.5
93.07034	61.6
95.08593	48.8
98.22519	25.4
105.07014	25.7
107.08598	38.5
109.10157	36.7
116.42042	12.0
117.07023	13.6
119.08562	36.4
121.10155	26.8
123.11651	15.5
133.10074	16.5
137.09537	15.2
159.11725	14.0
166.61816	14.0
175.14862	19.2
229.38222	15.4
236.15099	19.2
252.32419	12.5
335.25702	94.6
362.71716	13.7
478.06268	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	792.561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.1
55.05258	1.5
55.05513	23.2
57.03177	1.2
57.03437	16.1
57.07074	5.4
61.02919	4.0
61.47850	0.9
63.13243	0.9
65.03934	3.3
67.05505	78.4
68.05836	1.7
69.03414	1.1
69.07068	20.3
70.98996	1.8
71.04997	1.7
73.02930	1.1
74.54465	0.8
77.03934	0.9
79.05494	54.5
80.05836	1.4
81.07056	79.7
82.07388	1.5
83.04977	2.5
83.08178	1.2
83.08627	11.0
85.02882	3.8
85.06547	3.0
91.03961	1.2
91.05477	29.6
93.07044	58.1
94.07406	1.1
95.04967	4.5
95.08607	63.0
95.61033	0.9
96.08957	1.7
97.02901	2.2
97.06525	4.2
97.10162	3.7
99.08083	2.1
103.03893	0.9
105.04611	1.5
105.07029	22.2
107.08587	32.1
109.06516	3.0
109.10155	25.7
111.08043	1.6
117.07019	8.5
119.08582	20.4
121.09264	1.5
121.10144	26.2
123.08060	1.7
123.11699	10.1
125.09665	1.5
129.05498	0.9
129.06995	1.4
131.08568	13.0
133.10121	19.0
135.11690	18.7
137.13254	2.6
139.11179	1.1
143.08566	2.0
145.10094	10.2
147.11690	13.0
149.13261	11.6
155.08525	0.9
157.10095	2.3
159.11714	12.6
161.13246	8.6
163.14879	5.3
167.02013	0.8
171.11679	2.6
173.13268	8.3
175.14859	3.6
177.16354	2.0
179.14302	1.1
185.13231	2.3
187.14816	3.4
189.16415	1.8
199.14819	1.8
201.16432	1.6
211.14920	1.0
213.16386	1.4
241.19572	4.4
243.21060	7.5
259.20563	7.7
261.22137	22.8
262.22452	1.4
263.23734	2.8
277.21423	1.0
279.23169	1.1
317.24771	4.0
333.24216	5.2
335.25797	100.0
336.26181	7.6
337.27386	8.2
393.96695	0.9
411.26724	0.9
441.06265	1.3
521.43604	1.4
595.47168	14.1
596.47711	2.8
613.48181	8.3
614.48004	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	25.6
55.75646	24.5
65.03960	24.3
67.05497	100.0
69.90776	23.7
71.33259	31.0
79.05483	77.1
81.07053	95.6
89.65437	21.7
91.05463	37.9
93.07039	73.9
95.08614	94.2
98.27504	22.4
105.07031	35.9
107.08568	46.7
109.10180	38.1
115.17181	23.2
117.06991	23.6
123.11696	26.4
131.08589	35.9
135.11781	40.4
159.11691	33.1
163.14844	24.8
184.07274	22.0
187.14888	23.9
261.22144	73.0
335.25751	32.7
337.27386	34.4
485.82526	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.3973
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.7
57.07076	1.5
59.04995	0.8
61.02929	6.7
66.80803	0.6
67.05507	7.1
69.03437	4.6
69.07074	3.8
71.01375	0.9
71.05001	2.3
73.02923	6.9
73.11395	0.7
79.05489	5.2
81.03417	4.7
81.07056	7.7
82.18451	0.7
83.01097	0.7
83.04995	2.4
83.08632	2.5
85.02903	9.9
85.03349	1.0
85.97607	0.7
87.04484	1.0
91.03958	5.5
91.04981	1.2
91.05478	7.1
91.22424	0.6
93.07060	5.5
95.04955	3.4
95.08594	4.5
96.08939	0.6
97.02905	6.0
97.06549	1.8
98.23365	1.1
99.04492	2.1
101.02418	2.5
103.03959	0.9
105.07045	5.6
107.04993	2.2
107.08597	3.3
109.02870	1.6
109.06554	1.2
109.10178	2.6
110.10472	0.7
111.08098	0.9
113.09628	0.7
117.07059	1.8
119.08591	2.9
121.10110	3.5
123.04444	1.1
123.08109	0.7
123.10850	0.6
123.11689	1.1
125.09624	0.7
127.03925	3.4
129.05516	2.3
129.07014	1.2
131.08611	3.0
133.10138	3.6
134.10529	0.8
135.11728	1.2
137.05946	0.6
139.09070	0.6
143.08575	0.8
145.05083	1.1
145.10149	2.4
147.11652	3.1
149.09663	1.8
149.13324	0.9
151.11179	0.8
157.10179	1.5
161.09627	1.0
173.11874	0.8
175.11186	1.4
182.64636	0.6
184.07541	0.8
185.04274	3.4
193.12318	1.7
201.03851	0.8
202.09660	0.6
203.05418	0.8
203.51662	0.7
210.61870	0.8
217.12117	0.8
221.11615	0.7
224.03140	0.6
236.15041	2.1
241.06775	1.0
243.08394	7.0
261.10931	3.5
264.38989	0.6
273.18451	0.6
283.15326	2.3
291.15573	0.9
301.08905	10.4
301.11780	1.0
313.17883	1.9
315.10455	3.3
315.19458	2.6
327.10605	1.1
331.18896	2.7
341.12390	1.2
355.13705	1.0
357.15924	1.5
357.20526	3.4
369.15271	3.5
371.17053	1.1
371.21994	1.4
373.10989	4.3
383.16919	1.3
385.18314	6.7
387.21661	1.0
409.18573	1.1
411.20636	1.4
426.50558	0.7
429.17325	5.8
429.22543	1.2
430.17892	0.8
439.19296	0.8
447.23767	1.2
451.19339	3.3
455.18848	5.5
457.20944	2.0
467.19003	1.6
469.20520	3.5
470.21115	1.2
475.23276	2.2
479.18863	4.2
483.21576	1.1
501.22986	7.5
502.23450	0.8
509.20462	0.7
511.21820	1.3
513.26910	2.3
531.25714	2.8
533.27258	7.2
539.20959	16.3
539.27948	1.4
540.21613	1.9
549.26642	4.8
553.30646	1.1
559.32111	0.8
567.25653	0.7
595.27643	0.7
608.28052	1.6
621.29224	3.9
622.29706	0.9
623.30170	8.9
624.31122	1.2
635.30505	1.6
649.32343	2.3
663.34039	1.1
679.33374	1.7
691.36578	5.1
692.37598	1.8
695.32184	4.2
707.32568	1.5
731.39789	1.2
733.37573	1.0
747.39514	1.9
775.38098	3.6
776.38727	1.1
793.42474	100.0
794.42438	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	793.398
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	4.2
57.07071	1.4
58.06602	0.8
61.02926	8.5
67.05511	5.2
69.03430	4.5
69.07069	4.0
69.10677	5.1
69.11102	1.5
71.01344	1.0
71.04988	1.1
73.02913	4.8
79.05495	5.3
81.03414	4.1
81.07041	4.7
83.01076	0.8
83.04980	1.7
83.08618	2.3
85.02894	8.5
87.52930	0.6
91.03960	4.9
91.05458	3.5
92.05829	0.8
93.07048	3.5
95.01129	0.9
95.04978	1.9
95.08624	2.4
97.02895	7.2
97.06541	1.9
97.10163	3.1
99.04462	1.5
101.02378	2.7
105.07042	1.6
107.04961	1.3
107.08599	3.4
109.02901	0.9
109.10169	2.4
111.04441	0.8
117.05516	1.2
117.07053	1.0
119.08575	2.6
121.06529	0.9
121.10126	1.3
123.04229	0.8
123.08079	1.0
123.83726	0.7
125.09660	1.8
127.03929	3.0
129.05507	2.8
131.08565	1.3
133.10110	1.6
135.08119	0.8
135.11722	1.5
137.09616	0.9
145.04956	1.5
145.10074	1.7
161.09555	0.7
163.11160	1.4
173.11786	0.6
181.04758	1.9
184.03568	0.8
184.07367	1.6
185.04210	8.1
199.05865	1.0
199.13313	0.7
201.03783	2.2
203.05299	1.3
217.12201	0.8
221.11583	1.0
223.13344	1.8
227.05370	0.7
236.14917	0.8
241.06856	1.2
243.08383	8.7
249.11012	1.2
255.92056	0.7
259.08054	1.0
261.11023	0.8
269.10440	0.7
291.16113	0.8
291.19598	1.0
301.08899	20.0
313.08966	1.5
315.10480	5.4
327.10565	1.5
331.18713	6.9
332.19217	0.9
341.12271	2.2
343.13660	1.2
355.13644	1.5
357.15262	2.7
357.19806	1.0
369.15363	3.0
371.17566	0.8
371.22086	2.2
373.10989	5.9
377.15817	1.0
383.16867	2.6
385.18289	12.1
387.12915	1.0
413.18237	1.0
429.17352	4.5
429.22003	3.8
439.19485	2.1
443.19028	1.8
447.23407	1.5
455.18628	1.2
457.20502	1.6
467.18845	9.0
468.19116	1.0
469.20813	0.9
475.22849	4.0
479.19363	1.2
481.20578	1.6
485.19931	1.0
497.20160	2.1
498.20844	2.1
511.21689	1.9
513.25708	0.9
513.32538	1.7
539.20886	19.8
540.21344	1.9
549.26721	13.2
550.26764	1.8
553.25580	0.9
559.32428	1.4
565.26422	1.2
567.25385	1.0
581.29614	6.7
608.28473	0.9
609.28491	1.2
610.28802	0.8
619.32062	0.8
621.28821	8.7
622.29401	1.6
623.30298	14.0
624.30615	1.2
635.30890	2.2
639.29858	3.4
640.27991	0.8
649.32117	2.7
663.33466	1.3
665.31659	1.3
677.33154	1.3
679.33069	1.7
691.36749	4.6
692.37494	1.4
707.32373	22.2
708.32928	3.7
731.39771	1.3
733.37500	2.0
747.39636	1.7
775.38708	5.5
793.39655	100.0
794.40057	17.4
794.53436	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.9
67.05495	1.2
70.30961	0.7
79.05479	2.8
81.03413	0.9
83.04988	1.5
90.45850	0.8
91.05464	3.0
103.05467	3.4
105.07024	16.5
107.04929	4.4
115.05482	1.0
117.06980	1.3
118.04173	1.8
119.04860	1.3
121.06498	2.0
122.07271	1.4
129.06990	3.5
131.04878	1.8
132.05640	1.1
133.06480	15.4
135.04407	0.9
135.08046	2.4
137.05931	5.2
145.06451	1.5
145.10109	1.5
146.07155	0.9
148.05185	1.5
149.06018	1.1
150.06773	5.3
151.07463	0.9
153.05496	1.9
157.06500	2.9
158.07332	1.0
161.05998	3.8
161.09607	4.4
163.07552	1.8
165.06975	1.4
165.09117	11.3
167.07054	7.3
167.08380	1.3
169.06502	0.9
171.08119	0.8
173.09682	1.1
174.06752	1.3
175.07520	1.9
177.05522	1.3
181.04987	9.3
181.06473	0.9
181.08606	4.6
182.07257	1.0
182.15863	0.9
183.06526	1.3
184.05220	1.6
189.09061	9.7
191.06947	4.0
193.08588	100.0
194.07323	1.0
194.09007	3.4
195.08028	3.2
197.05934	1.0
197.09618	1.2
199.07558	1.4
201.09148	1.3
208.08765	1.8
209.07915	1.2
209.09677	1.4
210.06735	2.1
211.07533	1.4
212.04703	1.1
212.08298	1.9
217.08546	1.0
219.08084	1.1
221.11707	13.6
222.12149	1.1
223.07631	1.6
223.09546	1.9
223.11298	2.1
224.08266	1.8
225.09009	4.1
227.06963	2.7
227.10651	1.7
233.09619	2.1
233.11792	0.9
235.07501	0.9
235.09610	1.3
237.09113	1.0
238.06290	1.4
240.07782	1.4
241.08595	2.0
242.09543	0.9
244.07335	1.4
247.07469	1.2
249.11229	8.3
251.10593	2.2
253.08536	3.5
255.06535	1.7
255.10104	3.7
256.10538	0.9
257.04404	1.5
257.07919	1.1
257.11728	1.1
259.09634	5.1
261.09134	1.3
264.07813	1.0
268.10913	0.9
269.07947	1.1
269.11819	1.5
270.08893	2.4
271.09641	4.9
272.06845	1.3
272.10223	1.7
278.09308	2.0
279.10019	2.2
281.07858	1.4
283.13208	2.9
285.11084	5.7
287.09128	2.3
287.12701	5.6
293.11722	1.7
300.06320	1.3
300.09723	1.2
307.09677	1.3
311.12686	3.8
312.13425	1.2
313.10641	1.2
315.08722	4.5
315.12045	2.0
315.15909	2.5
321.11185	1.7
325.14249	2.1
329.10217	2.9
339.12292	2.2
343.11163	1.3
343.15356	25.3
344.15683	2.2
345.09024	1.1
345.13303	20.4
346.13629	1.3
353.13678	5.9
371.14868	20.2
385.16351	5.6
403.17456	20.5
404.17484	2.1
809.92322	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.5766
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01334	0.8
57.03440	16.1
57.07082	6.5
61.02917	4.2
65.03952	4.9
67.05503	100.0
68.05822	2.7
69.03439	2.5
69.07066	35.3
70.07401	1.0
70.84262	1.2
71.04980	3.0
71.08628	3.5
71.70383	0.9
77.03886	1.7
79.05492	43.3
80.05842	1.9
81.07054	95.4
82.07388	2.8
83.04963	2.3
83.08617	18.4
85.02905	4.0
85.06551	5.8
87.04476	1.0
91.03960	1.5
91.05473	27.4
93.07043	51.9
95.04958	3.8
95.08603	76.1
96.08930	2.4
97.02882	1.7
97.06548	5.1
97.10162	8.2
99.08085	3.0
105.04530	1.2
105.07030	21.8
107.08591	30.4
108.08908	1.3
109.06495	2.8
109.10153	30.2
110.10493	1.0
111.08068	3.5
111.11688	1.4
113.09641	1.1
117.07017	6.2
119.08572	19.9
121.10143	25.8
123.08092	1.4
123.11707	11.9
125.09623	1.4
129.07021	1.1
131.08556	11.1
133.10124	15.8
135.11691	18.4
137.09578	1.6
137.13240	5.4
139.11169	1.9
143.08556	1.5
145.10124	9.1
147.11665	11.3
149.09604	1.3
149.13274	10.7
151.14832	1.3
157.10123	1.8
159.11725	7.5
161.13226	8.3
163.14830	5.6
165.16386	1.2
169.10196	0.9
171.11658	1.7
173.13284	5.2
175.14848	4.5
177.12798	0.9
177.16313	2.1
185.13274	1.9
187.14790	4.0
189.16386	1.9
201.16476	1.3
203.18065	1.0
220.41811	1.0
241.19603	1.9
243.21016	5.0
245.22699	2.8
259.20572	3.0
261.22122	17.6
262.22351	1.6
263.23703	4.1
291.23077	1.1
299.23557	1.3
317.24692	4.2
333.24268	2.5
335.21619	2.0
335.25784	63.8
336.26114	5.5
337.27362	71.9
338.27753	7.1
339.29022	6.0
367.06595	1.0
597.48761	24.0
598.48730	3.4
615.49811	13.7
616.50122	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	795.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	3.9
57.07072	1.4
61.02925	10.8
67.05505	7.3
69.03423	5.9
69.07070	2.4
69.19389	4.1
69.19813	3.4
71.04997	1.5
73.02918	7.1
79.05479	6.0
80.18566	1.0
81.03413	7.0
81.07047	7.4
83.04974	3.0
83.08620	2.7
85.02899	11.9
91.03952	7.5
91.05481	6.5
93.07046	5.9
95.04963	3.2
95.08622	3.0
96.13113	0.9
97.02906	7.7
97.06534	1.5
97.10172	1.4
98.23325	1.6
99.04456	1.4
101.02395	3.9
103.03976	1.5
105.07050	4.0
107.04948	1.1
107.08599	2.7
108.08952	0.8
109.02877	1.9
109.10178	1.0
117.07028	1.7
117.47943	1.0
119.08588	3.6
121.10143	2.9
124.33794	0.8
124.43594	0.9
125.09618	1.0
127.03867	4.1
129.05472	1.7
130.35231	1.1
131.08575	1.6
133.10147	3.0
135.11665	4.7
145.04947	1.0
145.10156	1.5
147.11705	1.5
149.02303	1.5
157.10097	1.4
159.11676	0.9
172.15051	1.0
175.11189	1.0
185.04199	5.1
188.96161	0.9
193.12303	2.5
200.20177	1.2
201.03877	1.1
203.05199	1.4
211.13281	2.4
221.11595	1.5
243.08432	6.8
251.12546	2.6
263.12524	1.7
267.01105	0.9
277.14099	1.9
283.15189	1.1
291.15695	1.2
301.08896	13.7
310.60324	0.9
315.10461	4.5
327.10663	1.0
333.16898	1.0
333.20560	2.6
357.15332	2.2
369.15207	1.8
371.16809	1.1
373.11252	3.9
373.23434	1.4
383.16599	1.0
385.18347	6.3
429.17264	2.3
431.24142	2.7
439.19345	12.8
440.19806	2.0
441.21005	1.4
443.19281	1.0
445.25751	1.1
453.20889	1.6
457.20682	1.6
465.01755	1.0
469.20428	23.9
470.20853	1.1
477.24835	3.2
481.20505	3.6
485.19611	1.7
499.21268	1.4
505.27469	1.1
515.33075	1.9
541.22461	13.8
542.23376	1.4
551.28223	7.4
553.30371	1.1
567.31042	1.6
583.28381	1.1
593.29590	1.2
597.28320	1.8
610.29437	1.5
623.29633	5.6
625.32098	4.2
637.31946	1.9
651.33142	2.7
655.33368	1.9
665.36011	1.3
667.32916	55.0
668.33350	6.8
693.37781	5.4
707.39337	1.0
709.34125	11.4
710.33789	1.2
733.41589	1.6
749.40771	2.3
777.40442	7.4
778.41034	2.4
795.41296	100.0
796.41693	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	795.4136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	2.5
61.02924	5.3
62.83336	0.3
67.05502	4.5
67.53694	0.3
69.03393	4.5
69.03787	1.1
69.07066	2.2
71.01363	0.4
71.05000	1.5
73.02908	3.6
79.05487	4.4
80.05839	0.4
81.03419	4.1
81.07058	4.1
83.04978	1.7
83.08619	1.7
83.50345	0.3
85.02905	6.7
85.06535	0.4
86.09698	0.7
87.04486	0.5
91.03940	2.9
91.05472	3.6
93.07031	3.9
93.07504	0.4
95.04967	2.2
95.08617	1.9
97.02893	4.8
97.06528	2.7
97.10159	0.7
99.04470	1.1
101.02383	1.7
103.03961	0.4
105.07018	2.7
107.04945	0.9
107.08559	2.1
109.02877	0.9
109.06525	0.7
109.10175	1.4
110.10482	0.4
111.04468	0.5
111.08097	0.6
115.03954	0.4
115.05404	0.4
117.07037	0.8
119.08588	1.9
121.06530	0.6
121.10163	1.4
123.08116	0.5
125.09639	0.6
127.03952	1.2
129.07013	0.8
131.04956	0.4
131.08582	1.8
133.06522	0.5
133.10098	1.7
135.08105	0.5
135.11725	1.5
135.44620	0.4
136.12032	0.5
137.05977	1.3
137.09618	0.3
139.07513	0.3
143.08638	0.4
145.10165	0.7
147.11711	0.9
149.05948	0.5
149.09557	0.5
149.13342	0.5
151.03931	0.6
151.07614	0.5
151.11043	0.3
152.81216	0.3
157.10194	0.8
159.11729	0.5
163.11218	1.1
164.38223	0.3
167.07019	0.8
184.07446	0.9
185.04285	0.8
193.12276	1.0
211.13261	0.5
221.11584	0.3
243.08371	2.6
243.95267	0.3
251.12421	0.5
255.15894	0.5
256.16312	0.5
299.09216	0.4
307.15167	0.4
319.18991	0.6
349.19861	4.6
351.21448	0.5
407.10730	0.4
435.27795	1.0
436.27957	1.4
439.19565	1.0
453.21045	0.8
462.67224	0.4
467.18909	2.1
469.20462	6.6
469.53519	0.3
470.21219	0.6
511.42889	0.4
567.27893	3.1
569.28986	1.7
697.32538	0.5
698.34546	0.4
795.41248	100.0
796.41626	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	795.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	4.1
57.07073	1.2
59.21809	0.5
61.02930	6.3
61.05215	0.5
67.05504	4.7
69.03430	4.9
69.07070	1.8
70.59970	1.2
71.05000	1.6
73.02539	0.8
73.02923	5.6
76.06293	0.5
79.05499	4.0
81.03423	3.4
81.07059	3.8
83.01114	0.9
83.04987	0.9
83.08635	1.6
85.02901	7.4
85.06516	0.6
87.04451	0.8
91.03966	4.9
91.05484	3.7
91.89970	0.5
92.43865	0.7
93.07037	3.5
95.04979	1.7
95.08638	1.9
97.02888	6.4
97.06570	0.9
99.04487	1.6
101.02406	1.6
103.03960	1.0
105.07060	2.1
107.04978	0.8
107.08614	2.3
109.02842	1.0
109.10194	2.2
111.08091	0.7
115.03941	0.6
117.05510	0.8
117.07040	0.8
119.08615	2.0
121.06519	0.9
121.10190	1.4
123.04245	1.1
127.03913	2.7
129.05507	2.9
129.07025	0.9
131.08571	1.1
133.10149	1.9
135.11752	1.4
139.03725	0.6
145.05013	0.9
145.44522	0.5
147.11723	1.0
149.02380	1.9
149.09602	0.6
157.08612	0.6
157.10172	0.8
159.49170	0.5
175.11227	0.7
181.04886	0.8
184.03447	0.7
184.07385	0.6
185.04216	6.6
193.05017	0.9
193.12308	1.7
199.05881	1.1
200.20099	1.2
201.03717	2.7
201.14914	0.9
203.05344	0.7
211.13336	0.7
221.11606	0.6
222.82498	0.5
223.13309	0.8
241.06885	1.2
243.08380	7.4
251.12573	4.0
259.07986	0.9
263.12662	1.0
291.15750	2.3
297.04517	0.6
301.08936	18.1
301.12363	1.0
307.15198	0.8
313.09119	0.8
315.10474	4.6
319.15182	0.7
327.10535	1.5
329.12231	1.1
333.20352	3.6
341.12305	1.4
343.13702	0.9
349.16373	2.5
355.13931	1.0
357.15286	1.4
359.22086	1.4
367.17487	1.1
369.15277	1.5
371.16925	1.7
373.10971	7.1
383.16971	1.9
385.18332	11.2
385.22940	0.8
386.18958	0.9
387.12750	1.6
394.88962	0.7
395.17099	2.4
401.14005	0.8
413.17566	3.2
415.16019	1.0
429.17334	3.0
431.24207	1.6
433.25607	2.8
439.19531	2.0
443.18851	4.2
449.24991	1.2
453.20935	1.2
457.20612	2.2
469.20490	13.5
470.20862	1.2
477.24799	2.0
479.26263	1.2
481.20569	5.0
483.22369	0.9
485.19611	3.0
499.21445	2.7
500.22113	1.2
511.21667	1.1
513.26483	0.6
515.33936	1.1
527.20868	0.7
527.28571	0.9
528.21820	4.4
541.22540	12.8
541.30396	1.0
549.26874	0.9
551.28387	5.7
555.24207	0.9
567.27954	1.8
569.25879	1.7
583.29065	1.7
610.29266	1.0
611.30170	2.9
612.31152	2.9
623.30237	4.1
625.31854	2.8
639.01263	0.6
641.31525	5.0
651.33606	1.8
665.35138	0.9
667.33044	1.5
681.34003	0.6
693.37671	3.1
697.33911	1.8
709.33990	33.7
710.34467	3.7
749.40533	2.8
777.40137	5.1
778.41138	0.7
795.41327	100.0
796.41803	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	795.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	3.5
57.07076	1.1
61.02922	7.9
62.24255	0.6
67.05506	4.6
69.03429	4.1
69.07058	3.0
70.06581	1.0
70.60754	0.5
70.66328	1.2
70.66695	0.7
71.05003	1.1
73.02916	5.8
79.05485	4.7
81.03417	3.9
81.07045	4.2
83.01150	0.8
83.04990	1.4
83.08630	1.7
85.02900	8.8
87.04483	0.7
91.03948	5.1
91.05476	3.5
93.07040	3.7
95.01119	0.8
95.04988	2.1
95.08627	1.9
96.01903	0.6
97.02899	7.2
97.06535	1.2
97.10195	0.8
99.04473	1.8
101.02383	3.6
103.03973	0.7
105.07050	2.2
107.05002	0.8
107.08573	2.4
109.02895	1.5
109.06551	0.7
109.10180	1.9
111.08093	1.1
115.03949	0.9
117.05552	1.4
117.07050	1.4
119.08626	1.4
121.10143	1.4
123.04161	0.6
125.09703	0.8
127.03896	3.4
127.11175	0.7
129.05489	2.6
129.06987	0.9
131.08578	0.8
132.79381	0.5
133.06522	0.4
133.10173	1.6
135.11687	0.9
139.29568	0.5
145.04987	1.0
145.10152	0.9
147.11684	1.3
149.02377	1.9
149.09691	0.5
150.02763	0.6
157.10139	0.7
159.06560	0.5
159.11687	1.2
173.11848	0.6
174.97911	0.7
175.11174	0.7
177.12804	0.6
179.03284	0.5
181.04816	1.1
184.03423	0.7
184.07352	0.8
185.04205	7.5
193.04941	1.1
193.12254	0.9
195.06239	0.6
199.05818	1.4
200.20096	1.0
201.02142	0.5
201.03610	2.3
201.20413	0.8
203.05338	1.4
211.13353	0.5
221.55052	0.5
223.13414	1.5
241.06992	0.9
243.08383	7.9
251.12549	3.7
259.08005	1.1
263.12527	0.8
265.14145	0.8
291.15851	2.2
297.17078	0.5
301.08929	19.6
302.09448	0.6
307.14972	0.8
313.09106	0.9
315.10437	5.4
319.15289	0.7
327.10663	1.8
329.12149	1.1
333.17105	0.5
333.20291	2.6
341.12119	1.1
343.13721	1.1
349.16324	2.8
355.13998	1.0
357.15332	1.4
359.21857	1.1
363.18100	0.7
369.15472	1.4
371.16852	1.8
373.11032	7.7
373.15268	0.6
373.23801	0.9
379.17096	0.6
383.16895	2.2
385.18277	12.1
385.22873	0.8
387.12836	1.2
389.23404	0.5
395.16614	3.0
401.14026	1.0
413.17606	2.8
429.17413	4.0
431.24124	1.7
433.25732	3.3
439.19565	2.0
441.21002	0.7
443.18948	4.0
449.25156	1.2
451.19714	0.6
453.21204	1.2
457.20676	2.0
469.20483	14.6
470.21130	1.5
471.22113	1.0
477.24808	2.0
479.26236	0.7
481.20474	5.9
483.22113	1.6
485.19522	3.5
499.21243	3.6
500.22552	1.1
511.21597	1.5
513.26392	1.8
515.33649	0.8
527.28406	1.3
528.21698	4.0
533.27167	0.7
541.22559	14.4
542.22949	1.5
551.28302	8.0
552.28644	0.9
555.24524	1.5
561.34186	1.2
567.28021	0.8
569.26349	1.6
583.29932	2.2
593.29614	0.9
610.29718	1.5
611.30579	2.9
612.31250	3.1
623.29907	4.6
624.30627	1.2
625.31494	3.2
637.32410	1.4
641.31293	4.9
642.31378	0.9
651.33832	1.9
665.34735	1.0
667.32684	1.2
679.34375	0.9
681.33960	0.9
693.38092	3.8
694.38324	0.8
697.33905	2.4
709.33978	35.7
710.34198	4.0
733.41345	0.8
735.38696	0.6
749.40656	1.8
777.40167	4.5
778.40479	1.0
795.41290	100.0
796.41705	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	795.4249
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03376	0.9
61.02841	3.0
61.03173	0.8
61.67608	0.4
67.05415	5.0
69.03332	1.5
69.03683	0.7
69.06985	1.0
71.01279	0.4
71.82040	0.4
73.02824	2.0
75.39520	0.4
79.05397	2.2
81.03366	0.7
81.06963	2.7
85.02795	2.8
87.04375	1.1
91.03837	1.9
91.05384	1.2
93.06934	1.7
93.07462	0.4
95.08504	1.5
95.09035	0.5
97.02779	2.8
98.22595	0.8
101.02283	1.2
105.06968	0.5
107.08475	1.2
109.02807	0.5
109.10034	3.0
117.06917	0.6
119.08476	0.7
121.10058	1.0
127.03844	1.0
135.11540	0.5
136.27245	0.4
138.49803	0.4
161.13138	0.5
173.11656	0.8
184.07173	0.5
243.08229	1.0
253.61775	0.4
254.33466	0.4
413.17862	4.3
519.29126	4.4
520.29639	0.6
691.40216	61.8
692.40521	8.9
777.43921	0.6
795.42828	100.0
795.56079	10.6
796.43164	19.6
796.56006	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4261
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12994	0.5
61.02926	0.8
61.18167	0.5
67.05522	1.3
73.02905	0.8
79.05502	0.7
81.07066	1.1
81.72960	0.5
85.02913	1.2
87.21079	0.4
95.08633	0.8
98.78048	0.4
101.13992	0.5
106.63602	0.4
109.10155	0.7
124.98813	0.5
195.45944	0.4
213.80998	0.4
229.91690	0.4
413.17874	0.8
452.27478	0.5
519.29346	1.8
535.26794	1.0
610.77277	0.5
691.40198	19.1
692.40765	2.9
795.42792	100.0
796.43213	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4494
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	2.4
59.04998	0.5
60.57500	0.3
61.02635	0.5
61.02925	6.1
65.03921	0.5
67.05499	9.7
69.03425	4.4
69.07074	1.7
71.04998	0.7
73.02915	4.8
74.40894	0.4
79.05488	3.4
81.03415	2.0
81.07052	5.7
83.04967	0.3
83.08620	0.8
85.02900	7.3
87.04469	1.1
87.88754	0.4
88.47778	0.3
91.03961	4.1
91.05465	1.9
91.76841	0.4
92.75028	0.3
93.07027	4.1
95.04967	0.5
95.08604	4.0
97.02882	5.5
98.22546	0.8
99.04451	1.3
101.02379	2.7
103.03930	0.7
105.07038	1.3
107.08579	2.0
109.02853	0.8
109.10148	7.5
111.08091	0.4
117.07019	0.5
119.08577	1.3
121.10126	1.9
127.03865	1.7
129.11188	0.4
131.08569	0.7
133.10191	0.7
135.11687	1.3
137.09660	0.5
145.04913	0.6
145.10162	0.5
147.11696	0.5
149.13237	0.7
155.10703	0.4
159.11726	0.4
173.11780	2.2
173.13208	0.6
181.12292	0.4
184.07399	0.9
185.04208	1.0
189.49698	0.4
195.09937	1.4
203.05203	0.4
219.18846	0.3
229.14461	1.1
229.63252	0.4
237.11659	0.3
243.08418	2.6
251.12570	0.5
261.22189	0.5
335.25864	1.4
413.17776	8.7
499.21133	0.5
519.29230	9.3
520.29694	0.9
691.40204	100.0
692.40497	12.8
749.44574	0.9
777.43756	1.1
795.43945	6.1
795.54852	0.5
796.44885	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.5
60.04543	0.3
64.39258	0.3
65.03941	6.3
67.05499	1.6
67.37598	0.3
68.75172	0.4
69.03427	1.3
69.25792	1.0
69.26200	1.9
71.04984	0.5
75.04481	1.0
77.03922	0.5
78.04717	0.7
79.05488	1.7
81.03410	1.5
81.07034	0.8
82.04182	0.8
83.04959	0.5
85.02899	3.2
89.03923	0.5
89.06077	0.5
91.05473	3.7
93.03400	5.8
93.07027	2.7
95.01324	1.6
95.04974	3.0
96.04520	0.4
97.02887	1.5
97.06526	1.3
99.04459	0.5
100.11213	0.4
103.05458	4.3
105.03357	0.4
105.04519	0.6
105.07033	2.3
106.04169	5.2
107.01299	0.6
107.04958	4.9
109.02887	1.4
109.06506	1.0
109.10123	0.6
109.44186	0.4
110.03658	5.9
111.04440	5.9
115.03931	0.3
115.05458	0.9
117.03348	0.4
117.07023	0.7
119.04936	1.7
119.08577	0.3
121.02859	5.5
121.06503	8.2
122.03629	0.9
123.04424	5.4
123.08080	0.7
124.05238	0.4
125.05984	9.9
127.03915	1.3
128.06218	0.6
129.06989	2.7
131.04926	3.9
131.08548	0.5
133.06506	2.1
134.03601	0.9
135.04402	2.8
135.05305	0.4
135.08046	1.3
137.02348	1.9
137.05975	9.4
138.03133	0.8
138.06398	0.5
139.03911	3.2
139.07524	0.5
143.04929	0.6
145.06479	1.3
145.10149	0.5
147.04375	2.3
147.08018	0.6
148.05205	1.1
149.02399	2.1
149.05975	12.8
150.06381	0.5
151.03915	4.5
151.07533	2.8
152.06192	0.5
153.01811	1.5
153.05461	16.4
153.09082	3.0
154.05789	0.5
155.07115	0.4
157.06496	2.6
159.04362	0.5
159.08092	1.3
161.05971	11.4
161.09627	1.1
162.06638	0.7
163.03877	2.5
163.07544	3.2
163.11224	0.7
164.08382	0.5
165.01920	0.8
165.05486	2.0
165.06836	0.8
165.09140	0.7
166.06265	0.5
166.07689	0.6
167.07043	6.7
167.08406	0.4
168.05632	0.3
168.07315	0.4
173.05913	1.1
174.06720	1.2
175.07527	4.2
177.03915	0.7
177.05478	11.3
177.06801	0.4
177.09071	0.5
178.06042	0.5
178.07762	0.8
179.07019	1.3
179.08467	0.8
181.05043	3.4
181.06516	1.1
181.08571	7.5
181.10095	0.7
182.07243	0.7
183.02922	3.3
183.06532	2.8
183.08022	0.7
184.05212	0.6
185.06013	0.4
187.07549	1.3
188.08250	0.5
189.05475	0.5
189.09084	4.4
191.07018	1.6
191.08591	0.6
191.10651	0.5
193.06544	0.9
193.08571	1.8
193.10114	0.8
194.07280	0.8
195.06531	1.0
195.08121	2.1
195.09808	0.6
197.06024	0.7
197.09642	1.0
199.07516	0.9
201.05396	0.4
201.09128	0.5
202.07796	0.4
203.06999	4.0
203.08614	0.7
205.06592	0.8
205.08565	0.4
206.07211	0.8
207.06453	0.9
207.08081	1.2
207.10086	0.7
209.08067	38.3
210.06717	1.4
210.08524	1.1
211.07579	2.3
212.08359	0.8
213.09116	0.8
217.06482	0.6
217.08594	1.0
219.08026	1.2
219.10207	1.5
220.05086	0.4
220.08691	0.7
221.05930	1.1
221.07864	0.8
221.09781	2.2
222.06647	0.9
222.10350	0.6
223.07590	2.7
223.11139	0.7
224.08212	1.7
225.05540	0.6
225.09067	2.8
226.06201	0.5
227.05252	0.7
227.07085	1.1
227.10680	0.9
227.12758	0.8
231.08015	0.7
233.06055	0.5
234.06796	1.5
234.38313	0.4
235.07506	2.2
235.11102	0.5
236.08354	0.4
237.05368	1.0
237.09102	2.1
238.06221	1.8
238.09837	2.6
239.07021	3.2
239.10683	1.7
240.07764	5.0
241.08545	1.5
241.12303	0.3
242.05515	0.4
242.09241	0.5
243.10103	0.4
247.07640	0.6
249.05371	0.5
249.09119	3.0
249.11264	0.7
250.09764	1.2
251.07033	3.1
251.10658	1.3
252.07767	1.8
253.08601	12.2
253.12242	4.7
254.09256	2.6
254.12598	0.4
255.06560	1.5
255.10121	4.1
256.07397	0.5
257.08115	1.7
257.11673	0.6
259.07465	0.7
259.09821	0.5
261.09219	0.7
263.06909	0.8
263.10638	0.6
265.08630	1.9
266.09375	2.4
267.06555	1.3
267.10153	3.9
268.07333	2.5
268.10648	0.7
269.08078	3.1
269.10992	0.4
270.08856	2.7
270.12750	0.4
271.09378	0.6
271.13327	0.8
272.10419	0.5
273.11118	0.7
277.08606	2.1
278.09317	1.2
279.06943	0.4
279.10205	1.2
280.07291	0.9
280.10934	0.4
281.08102	4.3
281.11691	5.4
282.08719	1.4
283.06342	0.9
283.09671	7.1
283.12982	0.5
284.10300	2.5
285.07635	1.5
285.11218	4.6
285.14847	1.8
286.11774	0.6
291.10260	0.8
293.08264	0.6
293.11545	0.9
294.08905	1.1
295.09631	4.0
296.10394	1.0
297.07700	0.7
297.11200	2.1
298.08365	1.0
298.11996	2.3
299.09198	1.7
299.12766	5.8
300.10010	1.8
300.12994	0.5
301.10611	0.8
303.08575	0.6
303.15997	0.7
307.09665	0.8
308.10529	0.5
309.11145	6.1
310.11887	2.2
311.09247	0.7
311.12839	1.4
312.09897	0.8
313.10663	9.0
313.14337	3.4
314.11035	1.3
315.08923	0.4
317.13626	0.4
321.11392	0.5
325.10815	0.9
325.14459	0.6
326.11459	1.1
327.12253	24.5
327.15640	1.0
328.12750	3.1
329.10321	0.6
329.13785	4.2
330.14072	0.6
331.15381	2.7
339.12302	3.0
340.12762	0.6
341.10229	0.9
341.13791	4.8
342.14380	0.5
343.11685	1.0
343.15381	1.5
344.12381	0.5
345.13309	9.7
345.16754	0.6
353.13855	0.5
357.13397	2.4
359.14871	100.0
360.15231	8.4
361.16556	3.3
362.16559	0.4
371.14874	14.9
372.15302	1.6
385.16513	0.5
389.15878	6.5
435.14145	0.4
455.13144	0.5
468.21002	0.5
483.16443	2.0
493.80939	0.4
627.18988	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.5
60.04543	0.3
64.39258	0.3
65.03941	6.3
67.05499	1.6
67.37598	0.3
68.75172	0.4
69.03427	1.3
69.25792	1.0
69.26200	1.9
71.04984	0.5
75.04481	1.0
77.03922	0.5
78.04717	0.7
79.05488	1.7
81.03410	1.5
81.07034	0.8
82.04182	0.8
83.04959	0.5
85.02899	3.2
89.03923	0.5
89.06077	0.5
91.05473	3.7
93.03400	5.8
93.07027	2.7
95.01324	1.6
95.04974	3.0
96.04520	0.4
97.02887	1.5
97.06526	1.3
99.04459	0.5
100.11213	0.4
103.05458	4.3
105.03357	0.4
105.04519	0.6
105.07033	2.3
106.04169	5.2
107.01299	0.6
107.04958	4.9
109.02887	1.4
109.06506	1.0
109.10123	0.6
109.44186	0.4
110.03658	5.9
111.04440	5.9
115.03931	0.3
115.05458	0.9
117.03348	0.4
117.07023	0.7
119.04936	1.7
119.08577	0.3
121.02859	5.5
121.06503	8.2
122.03629	0.9
123.04424	5.4
123.08080	0.7
124.05238	0.4
125.05984	9.9
127.03915	1.3
128.06218	0.6
129.06989	2.7
131.04926	3.9
131.08548	0.5
133.06506	2.1
134.03601	0.9
135.04402	2.8
135.05305	0.4
135.08046	1.3
137.02348	1.9
137.05975	9.4
138.03133	0.8
138.06398	0.5
139.03911	3.2
139.07524	0.5
143.04929	0.6
145.06479	1.3
145.10149	0.5
147.04375	2.3
147.08018	0.6
148.05205	1.1
149.02399	2.1
149.05975	12.8
150.06381	0.5
151.03915	4.5
151.07533	2.8
152.06192	0.5
153.01811	1.5
153.05461	16.4
153.09082	3.0
154.05789	0.5
155.07115	0.4
157.06496	2.6
159.04362	0.5
159.08092	1.3
161.05971	11.4
161.09627	1.1
162.06638	0.7
163.03877	2.5
163.07544	3.2
163.11224	0.7
164.08382	0.5
165.01920	0.8
165.05486	2.0
165.06836	0.8
165.09140	0.7
166.06265	0.5
166.07689	0.6
167.07043	6.7
167.08406	0.4
168.05632	0.3
168.07315	0.4
173.05913	1.1
174.06720	1.2
175.07527	4.2
177.03915	0.7
177.05478	11.3
177.06801	0.4
177.09071	0.5
178.06042	0.5
178.07762	0.8
179.07019	1.3
179.08467	0.8
181.05043	3.4
181.06516	1.1
181.08571	7.5
181.10095	0.7
182.07243	0.7
183.02922	3.3
183.06532	2.8
183.08022	0.7
184.05212	0.6
185.06013	0.4
187.07549	1.3
188.08250	0.5
189.05475	0.5
189.09084	4.4
191.07018	1.6
191.08591	0.6
191.10651	0.5
193.06544	0.9
193.08571	1.8
193.10114	0.8
194.07280	0.8
195.06531	1.0
195.08121	2.1
195.09808	0.6
197.06024	0.7
197.09642	1.0
199.07516	0.9
201.05396	0.4
201.09128	0.5
202.07796	0.4
203.06999	4.0
203.08614	0.7
205.06592	0.8
205.08565	0.4
206.07211	0.8
207.06453	0.9
207.08081	1.2
207.10086	0.7
209.08067	38.3
210.06717	1.4
210.08524	1.1
211.07579	2.3
212.08359	0.8
213.09116	0.8
217.06482	0.6
217.08594	1.0
219.08026	1.2
219.10207	1.5
220.05086	0.4
220.08691	0.7
221.05930	1.1
221.07864	0.8
221.09781	2.2
222.06647	0.9
222.10350	0.6
223.07590	2.7
223.11139	0.7
224.08212	1.7
225.05540	0.6
225.09067	2.8
226.06201	0.5
227.05252	0.7
227.07085	1.1
227.10680	0.9
227.12758	0.8
231.08015	0.7
233.06055	0.5
234.06796	1.5
234.38313	0.4
235.07506	2.2
235.11102	0.5
236.08354	0.4
237.05368	1.0
237.09102	2.1
238.06221	1.8
238.09837	2.6
239.07021	3.2
239.10683	1.7
240.07764	5.0
241.08545	1.5
241.12303	0.3
242.05515	0.4
242.09241	0.5
243.10103	0.4
247.07640	0.6
249.05371	0.5
249.09119	3.0
249.11264	0.7
250.09764	1.2
251.07033	3.1
251.10658	1.3
252.07767	1.8
253.08601	12.2
253.12242	4.7
254.09256	2.6
254.12598	0.4
255.06560	1.5
255.10121	4.1
256.07397	0.5
257.08115	1.7
257.11673	0.6
259.07465	0.7
259.09821	0.5
261.09219	0.7
263.06909	0.8
263.10638	0.6
265.08630	1.9
266.09375	2.4
267.06555	1.3
267.10153	3.9
268.07333	2.5
268.10648	0.7
269.08078	3.1
269.10992	0.4
270.08856	2.7
270.12750	0.4
271.09378	0.6
271.13327	0.8
272.10419	0.5
273.11118	0.7
277.08606	2.1
278.09317	1.2
279.06943	0.4
279.10205	1.2
280.07291	0.9
280.10934	0.4
281.08102	4.3
281.11691	5.4
282.08719	1.4
283.06342	0.9
283.09671	7.1
283.12982	0.5
284.10300	2.5
285.07635	1.5
285.11218	4.6
285.14847	1.8
286.11774	0.6
291.10260	0.8
293.08264	0.6
293.11545	0.9
294.08905	1.1
295.09631	4.0
296.10394	1.0
297.07700	0.7
297.11200	2.1
298.08365	1.0
298.11996	2.3
299.09198	1.7
299.12766	5.8
300.10010	1.8
300.12994	0.5
301.10611	0.8
303.08575	0.6
303.15997	0.7
307.09665	0.8
308.10529	0.5
309.11145	6.1
310.11887	2.2
311.09247	0.7
311.12839	1.4
312.09897	0.8
313.10663	9.0
313.14337	3.4
314.11035	1.3
315.08923	0.4
317.13626	0.4
321.11392	0.5
325.10815	0.9
325.14459	0.6
326.11459	1.1
327.12253	24.5
327.15640	1.0
328.12750	3.1
329.10321	0.6
329.13785	4.2
330.14072	0.6
331.15381	2.7
339.12302	3.0
340.12762	0.6
341.10229	0.9
341.13791	4.8
342.14380	0.5
343.11685	1.0
343.15381	1.5
344.12381	0.5
345.13309	9.7
345.16754	0.6
353.13855	0.5
357.13397	2.4
359.14871	100.0
360.15231	8.4
361.16556	3.3
362.16559	0.4
371.14874	14.9
372.15302	1.6
385.16513	0.5
389.15878	6.5
435.14145	0.4
455.13144	0.5
468.21002	0.5
483.16443	2.0
493.80939	0.4
627.18988	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.5924
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42034	1.0
57.03443	8.4
57.07076	5.3
61.02918	1.7
62.17497	1.4
65.03941	1.7
67.05506	41.5
67.05864	2.3
69.07073	18.5
69.60330	2.0
69.60744	4.0
71.08630	2.9
79.05493	16.9
81.07056	46.5
83.04987	2.5
83.08617	12.0
85.06522	1.3
86.09714	2.3
89.10670	1.1
91.05487	8.8
93.07043	14.9
95.08609	35.4
96.08939	1.2
97.02858	1.3
97.06546	2.1
97.10175	7.0
105.07034	7.1
106.95023	1.2
107.08615	9.3
109.10152	14.0
111.11710	1.9
119.08620	6.7
121.10122	8.1
123.11687	6.1
125.09583	1.6
131.08607	2.7
133.10104	5.5
135.11665	5.8
137.13255	3.1
145.10204	1.9
147.11694	4.6
149.13301	3.2
159.11784	1.5
161.13312	4.1
163.14853	2.5
165.16466	1.4
167.93472	1.1
175.14864	3.2
177.16351	2.8
179.05449	1.2
184.07361	9.5
185.13545	1.2
189.16362	1.5
243.21092	3.6
245.22697	3.3
261.22180	4.4
263.23712	5.1
289.25333	1.5
319.25705	1.2
335.25742	6.0
337.27359	100.0
338.27625	7.8
339.28946	9.3
359.29318	1.2
525.46484	2.3
543.47296	1.7
599.40515	1.8
599.50262	33.8
600.50659	5.6
617.51404	21.9
618.51581	2.3
634.89923	1.2
686.74982	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.408
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76870	0.6
61.02919	0.8
66.73756	0.7
67.05497	3.2
67.39339	0.6
69.07066	0.9
79.05501	2.2
81.07059	2.5
83.08614	1.4
85.02901	0.6
88.50571	0.7
91.05479	2.2
93.07061	2.2
95.08618	2.0
105.07059	0.9
107.08638	0.8
109.10136	1.1
117.07013	0.6
119.08604	1.1
121.10126	1.5
125.09636	1.0
131.25121	0.6
133.10097	1.0
135.11742	1.1
139.11261	0.6
145.10127	0.7
151.07385	0.5
173.13518	0.6
175.14717	0.7
192.74667	0.6
200.43965	0.5
279.54965	0.6
458.19922	0.6
535.26892	0.7
584.56885	0.6
625.32141	2.3
707.37585	100.0
708.38019	14.8
797.41394	8.6
797.56494	2.7
798.41919	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87202	0.4
57.03442	2.4
61.02927	6.5
65.03950	0.6
65.60954	0.4
67.05508	5.0
69.03427	4.2
69.07059	2.5
69.22150	3.4
71.01355	0.5
71.05006	1.2
72.93329	0.4
73.02917	3.7
79.05499	5.0
81.03419	4.9
81.07062	5.4
83.04977	1.1
83.08629	2.0
85.02908	6.6
87.04491	0.5
91.03964	4.3
91.05486	4.9
93.07051	3.4
95.04967	2.6
95.08594	3.3
97.02900	5.0
97.06550	0.9
97.10178	1.5
98.22562	0.7
99.04482	1.3
101.02383	2.0
103.03948	0.6
105.07042	2.7
107.04980	1.1
107.08598	2.8
107.62309	0.4
107.87473	0.3
109.02904	1.1
109.06536	1.0
109.10141	2.8
111.08075	0.9
117.07053	0.7
119.08596	2.6
121.02900	0.4
121.10159	2.2
123.04419	0.7
123.08162	0.8
123.11706	0.6
125.09676	1.0
127.03945	1.5
129.05464	0.5
129.07039	1.1
131.08604	1.6
133.06509	0.5
133.10139	2.1
135.04381	0.4
135.08054	0.6
135.11717	0.9
137.05991	0.8
143.08653	0.4
145.05057	0.4
145.10124	1.1
147.04482	0.6
147.11696	1.9
149.06070	0.5
149.09702	0.8
149.13220	0.6
151.03979	0.4
152.55969	0.4
155.68506	0.4
157.10175	1.2
159.11740	0.5
161.13275	0.4
163.07671	0.6
165.12753	0.5
167.07089	0.6
173.11772	0.4
175.07593	0.5
175.11252	1.1
185.04248	0.7
193.12268	0.9
203.05411	0.6
211.13478	0.7
229.14449	0.7
241.06995	0.5
243.08394	2.8
251.12695	1.4
349.16946	0.4
351.21426	2.3
413.17804	0.7
469.20410	9.8
470.21082	1.1
519.53674	0.4
569.29303	6.9
569.37531	0.7
570.29907	1.2
797.42902	100.0
798.43231	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	797.5165
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	3.5
61.02925	8.9
63.34447	1.3
67.05505	11.3
67.60911	1.3
69.03427	6.5
69.07081	2.7
71.74368	1.7
73.02914	4.9
78.08617	1.1
79.05495	5.6
81.07048	8.1
85.02923	7.4
85.98186	1.3
86.09715	2.1
91.03979	4.8
91.05508	4.0
93.07031	6.5
95.04923	1.4
95.08609	8.6
97.02900	9.0
97.71118	1.2
100.21278	1.3
101.02386	3.1
105.07047	1.8
107.08616	4.0
109.02916	1.4
109.10207	2.8
117.07066	2.0
119.08638	2.6
121.10172	3.2
125.00076	1.3
127.03956	2.6
131.08580	1.6
155.34247	1.3
184.07430	4.5
200.97046	1.5
335.25473	1.3
346.29547	1.3
384.75784	1.4
391.11264	1.2
409.25198	1.5
519.29266	18.6
520.29675	2.0
695.31665	1.5
797.51697	100.0
798.52222	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	797.5161
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.9
58.42268	0.3
61.02922	7.4
65.03940	0.5
67.05498	7.1
69.03424	4.6
69.07053	1.4
69.59251	1.2
69.59673	0.5
71.01356	0.5
71.04982	0.7
73.02913	5.4
75.04506	0.3
79.05486	4.5
79.90701	0.3
81.03407	1.7
81.07052	6.7
81.07501	0.5
83.08622	0.6
85.02898	7.1
87.04456	0.7
91.03943	3.9
91.05479	2.8
93.07039	5.3
94.07396	0.4
95.04976	0.5
95.08598	4.9
96.08956	0.4
97.02881	6.4
97.03461	0.3
97.06506	0.3
98.23370	0.3
99.04465	1.2
101.02365	3.2
103.03949	0.4
105.07036	1.6
107.08569	3.1
107.09129	0.3
109.02886	1.0
109.10165	1.4
115.03902	0.7
115.12219	0.3
119.08604	0.9
121.10147	2.0
125.94511	0.3
127.03920	2.0
131.08566	1.1
133.10176	1.0
135.11719	1.3
145.04904	0.4
145.10167	0.4
147.11674	0.5
149.13219	0.6
173.52928	0.3
184.07362	0.6
185.04263	0.8
188.56192	0.3
203.05325	0.5
243.08357	2.0
258.54620	0.3
258.92014	0.3
271.24991	0.3
335.25803	0.6
497.30710	0.6
519.29260	17.7
520.29492	2.1
522.73810	0.3
533.25433	0.4
797.51605	100.0
798.51910	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	798.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
59.08943	0.7
65.02299	0.6
65.03951	0.8
67.05506	2.2
69.03405	0.9
69.07075	3.9
71.31841	1.0
79.05503	1.6
81.03407	1.1
81.07057	0.9
91.05483	1.8
93.07053	2.1
94.06567	4.1
95.04955	1.2
97.02917	0.9
97.06528	1.0
98.09206	0.6
103.05451	1.1
104.05022	0.6
105.07076	1.5
107.04954	1.0
107.08588	1.2
108.08141	0.8
110.06055	0.8
112.07604	0.8
112.39780	0.6
116.05003	1.8
118.06543	1.8
119.04968	1.0
119.08584	0.8
120.04485	1.8
120.08147	0.9
121.10166	1.2
122.06029	15.6
123.04440	10.5
124.32317	0.6
125.02338	0.6
127.03899	1.1
131.04895	0.8
134.06023	0.8
135.04462	1.1
137.02409	0.9
137.06021	2.2
138.05511	1.3
139.03935	1.2
140.07057	22.5
144.04463	2.1
146.06015	16.8
147.04474	2.0
147.06755	1.4
148.07588	2.6
149.06021	0.6
151.03931	4.7
153.01906	1.8
154.08644	1.3
160.03960	0.8
160.07700	1.1
161.05980	2.0
162.05547	1.4
163.03981	1.6
163.06075	0.9
163.07550	1.2
165.05470	1.4
165.09178	0.9
167.07100	2.6
172.03937	6.6
173.04715	2.0
174.05498	16.7
175.06168	1.2
176.07091	5.1
188.07072	1.4
190.04968	9.8
191.05792	2.1
192.06609	2.6
198.05450	1.1
200.07060	1.5
202.08652	0.7
204.06531	6.0
206.08183	2.4
207.06454	1.1
212.07147	1.5
213.10217	0.8
214.08627	1.1
215.07021	0.7
216.10248	2.3
221.10895	0.7
225.10181	1.6
226.08604	1.1
227.08389	0.7
230.08089	1.5
235.08774	1.8
236.09460	1.8
237.10258	4.3
238.11090	1.2
239.11909	1.6
240.06544	1.6
242.08130	8.8
243.08774	1.0
243.11349	1.9
244.09778	1.4
247.12390	1.0
248.09529	3.0
249.10214	6.0
250.11005	2.7
251.08076	1.6
251.11780	6.2
252.12375	1.2
254.08229	1.3
254.10670	0.9
258.07690	2.5
260.09396	1.5
261.10059	3.6
261.12457	2.5
262.10843	3.8
263.08325	1.0
263.08905	1.2
263.11795	9.8
264.09067	1.6
264.12582	2.5
265.09720	6.3
265.12329	0.8
265.13315	0.7
266.08136	2.1
266.10498	2.1
267.11301	2.7
268.05948	1.1
268.09726	1.5
270.07697	0.8
272.09314	1.2
274.11185	0.8
275.08621	1.3
275.11841	5.8
276.09079	0.9
276.12479	2.2
277.09778	10.2
277.13425	1.8
278.10431	3.1
279.11227	7.2
280.12033	1.8
281.12814	1.2
282.07648	1.1
283.05807	1.4
284.09140	7.5
285.12317	4.2
286.07153	5.4
287.11795	2.3
289.09830	4.6
289.13321	1.4
290.10522	2.8
291.11307	7.8
292.12048	3.0
293.09787	0.9
293.12708	3.5
295.10767	2.2
296.11856	1.6
297.12421	2.1
298.07220	1.5
299.11710	1.1
300.08673	4.7
300.11905	0.7
301.09885	1.5
301.13318	1.5
302.10275	13.2
303.11261	5.8
304.11865	1.6
305.09311	2.2
305.12875	2.5
306.10004	1.2
307.10788	4.0
308.11490	1.5
309.12396	7.0
310.13208	0.8
312.08884	1.1
313.11804	15.6
314.10547	0.9
315.08075	1.1
315.11334	3.4
316.12173	1.2
317.09265	3.4
317.12820	1.6
318.10120	1.4
319.10812	7.1
320.11298	1.0
321.12408	1.0
323.10345	4.2
323.13702	0.8
324.11133	3.9
325.12030	2.2
327.11276	1.3
329.09686	2.0
329.13068	2.7
330.10217	2.8
331.10294	1.3
331.13477	2.2
332.11411	0.9
333.12308	2.5
335.10184	3.7
335.13779	0.8
336.10965	4.6
337.11819	7.8
338.10175	1.0
339.10986	1.0
340.12332	1.2
341.12918	2.6
343.10818	4.3
345.12451	2.5
345.14969	1.1
346.13037	1.3
347.13928	2.3
349.11850	4.8
351.13464	1.2
353.12891	1.6
355.10803	1.8
357.12228	3.4
358.13138	1.6
359.10208	2.0
359.14008	2.7
361.11789	1.7
367.10989	1.7
368.11499	1.0
369.12494	2.4
371.09985	3.4
371.14059	2.3
372.10901	1.4
373.11813	3.4
375.13528	2.0
377.11496	2.1
378.11990	1.2
380.07837	1.9
381.12378	3.6
383.14154	0.9
385.11777	8.2
385.16321	0.9
386.12375	2.1
387.13391	6.6
391.13205	1.1
395.10281	1.5
397.11819	6.9
398.12833	1.1
399.13477	5.8
400.14401	1.2
401.10980	1.3
403.12848	5.8
405.14478	1.6
406.15015	1.0
407.15994	2.2
409.12100	1.5
411.13461	2.1
413.11169	10.0
414.12030	2.7
415.12872	22.1
416.13339	2.0
417.14856	1.5
418.13177	0.8
425.11124	1.1
427.12952	6.8
429.14575	4.9
431.12143	5.8
432.12939	1.3
433.13846	3.0
436.14093	2.1
437.11642	0.9
445.13953	13.7
446.14404	2.4
454.15131	2.9
455.12286	7.6
456.12994	1.7
457.13834	5.3
458.14014	0.8
461.13632	1.3
463.15140	1.2
464.18311	1.3
473.13409	20.3
474.14084	6.3
475.14963	7.3
476.18066	1.8
485.13705	1.6
487.15076	0.8
503.14447	1.0
505.16119	3.6
507.17960	1.0
518.19659	1.1
537.16058	0.7
539.18054	1.2
549.16138	0.9
561.15973	1.1
567.17346	1.2
570.22504	2.8
572.20361	1.4
579.17810	2.6
589.16211	1.2
596.20416	4.0
597.18610	1.1
602.21533	1.2
607.17108	6.9
608.17816	1.8
609.18280	1.6
614.21313	100.0
615.21613	13.3
625.18079	9.8
626.19800	2.9
627.19568	3.2
632.21942	2.5
646.23938	15.2
647.24463	2.2
704.26385	0.8
722.26892	3.1
730.24261	1.0
748.24963	31.0
749.25079	5.4
766.26031	51.5
767.26355	10.9
798.28754	3.7
798.43170	2.1
830.54694	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
70.27511	2.2
70.89144	0.9
80.41567	0.8
97.63323	0.9
103.53081	0.8
176.04477	1.9
185.04207	2.1
189.05212	2.1
202.05980	0.9
203.06776	1.5
204.04007	2.0
205.04707	22.4
205.06477	1.7
213.08830	2.4
216.07530	7.1
217.08360	3.0
229.08334	1.5
232.07057	1.2
233.07750	6.9
244.10722	1.8
245.11575	1.1
261.09131	1.0
273.10876	1.2
313.70267	1.0
379.13553	14.1
381.11685	1.2
395.13171	1.3
411.14096	2.4
426.16489	13.6
427.16852	1.7
468.19556	0.9
620.09052	1.1
637.26025	18.7
638.26324	2.2
639.51093	0.9
799.31354	100.0
800.31738	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	799.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07074	29.4
59.05009	2.7
67.05511	12.3
68.16496	2.4
69.03426	4.8
69.07074	7.6
71.04985	3.5
79.05505	6.7
81.03421	2.3
81.07059	12.8
82.24006	2.3
83.04980	3.4
83.08636	3.8
85.06561	3.6
86.09701	8.7
88.24232	2.3
91.05494	7.2
93.07050	11.3
95.04963	3.5
95.08614	11.1
97.06532	10.1
105.07033	6.3
107.04943	3.2
107.08627	11.3
109.06575	3.0
109.10191	9.3
111.08063	2.5
115.89345	2.6
119.04992	2.7
119.08593	7.5
121.10139	14.0
123.08051	4.4
123.11692	5.6
125.00031	6.1
125.09669	3.0
133.06587	2.7
133.10156	5.5
135.08093	5.6
135.11723	4.1
137.06075	3.1
137.09615	51.8
139.11232	9.2
145.10179	5.3
147.08093	2.8
147.49272	2.5
149.09660	10.2
151.11186	12.9
161.09584	5.3
164.26538	2.4
165.09109	2.5
167.10669	2.8
175.11234	4.5
177.09097	5.3
179.10744	5.2
184.07393	16.8
191.14322	3.2
193.12308	9.1
203.07002	2.4
205.08400	3.9
207.13831	3.8
219.13919	7.2
235.13266	20.4
237.14926	10.9
245.08281	3.3
249.14943	9.6
251.16492	4.2
260.07065	3.4
282.09387	2.7
283.09604	3.9
296.14215	3.1
313.27274	2.9
323.09091	3.5
323.12625	2.9
337.10681	3.8
339.12381	4.7
349.10788	3.0
351.12128	12.5
352.12808	5.6
353.13870	6.5
365.10291	6.8
365.23404	3.5
366.10562	3.2
366.14291	11.7
375.12366	5.0
389.14035	6.0
393.13687	5.5
394.14236	4.1
403.11920	11.4
409.20248	11.1
411.22107	3.0
417.13248	13.3
419.14972	3.8
421.12985	7.3
423.21786	4.0
433.16669	5.5
435.14374	7.7
437.15433	5.4
437.20410	4.1
441.22818	4.4
473.15692	5.9
479.20706	27.6
487.17657	5.0
488.18149	3.5
489.19235	7.3
491.16583	16.2
493.22345	5.6
503.20749	5.4
505.18488	32.4
506.19196	5.1
507.19522	5.6
517.18085	3.3
519.20465	5.4
522.21289	3.3
533.25397	3.6
549.24872	23.0
559.23395	7.1
561.24597	3.1
563.26465	67.7
564.26678	9.2
617.31067	31.1
618.31482	3.7
697.33643	4.0
711.34686	4.2
715.34863	9.5
741.33038	8.1
763.39026	3.5
781.38971	14.9
782.38849	4.1
799.40411	100.0
800.40863	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	799.5315
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.9
61.02919	6.3
67.05495	6.7
69.03425	4.7
69.07066	2.4
73.02918	5.0
79.05489	3.6
81.03432	1.4
81.07060	6.5
82.74430	0.6
83.08630	0.9
85.02898	5.4
91.03937	3.0
91.05483	2.0
93.07036	3.4
95.04968	0.6
95.08604	5.5
97.02882	5.1
97.03357	0.4
98.22498	1.0
99.04448	0.7
101.02394	2.2
105.07052	1.2
107.08603	1.4
109.02878	0.7
109.10157	1.6
119.08572	0.7
121.10199	1.8
123.11684	0.8
127.03896	2.4
133.10136	0.9
135.11725	0.7
141.29803	0.6
145.04945	0.6
149.13318	0.9
177.44342	0.5
184.07358	0.9
185.04393	0.9
186.10497	0.5
243.08350	2.5
330.07770	0.5
426.18433	0.6
508.16031	0.5
519.29175	8.9
519.36163	0.7
520.30383	0.8
521.30823	7.7
522.31073	1.2
611.05792	0.5
799.53217	100.0
800.53430	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	800.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69007	0.1
57.07069	0.1
67.05500	0.5
69.03436	0.6
69.07065	0.2
69.50638	0.5
79.01851	2.7
79.05495	1.8
79.91911	0.1
81.03414	1.1
81.07056	22.4
82.07388	0.4
83.05020	0.1
85.02898	0.2
87.00812	0.1
93.07040	0.1
95.08608	1.8
97.02892	1.6
99.04470	0.2
107.01322	0.9
107.08604	0.1
109.02873	1.7
109.10195	0.1
123.00828	0.1
125.02341	1.9
127.03916	1.9
131.04924	0.1
137.13254	3.8
138.13582	0.2
143.03397	4.2
144.03790	0.1
153.01825	100.0
154.02147	2.4
159.04405	0.2
163.03941	0.1
171.02893	3.5
172.03152	0.1
177.05521	0.1
181.01248	0.3
187.03911	0.2
191.03429	0.1
195.02850	0.2
197.00800	0.1
205.04935	0.5
207.02945	0.1
215.03423	0.2
217.04982	0.2
233.04417	0.9
237.03917	0.3
243.02872	0.5
261.03964	1.8
279.04990	2.7
297.06036	5.5
298.06268	0.3
313.10834	0.1
315.07150	0.8
317.19708	0.1
359.14926	0.1
449.07156	0.5
467.08197	8.3
468.08453	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
63.37729	0.1
66.04734	0.1
67.05503	0.4
69.03426	0.5
69.07078	0.2
70.92825	0.2
71.28764	0.1
74.67733	0.1
79.01380	0.1
79.01849	3.2
79.05487	1.7
81.03419	1.2
81.07054	22.2
82.07384	0.6
85.02893	0.2
86.58099	0.1
87.00827	0.2
91.05473	0.1
93.07076	0.1
95.08603	1.9
97.02888	1.3
99.04488	0.1
105.76006	0.1
107.01321	0.8
108.04454	0.1
109.02872	1.6
115.01092	0.1
123.00768	0.1
125.02342	1.9
127.03909	1.7
131.04935	0.1
137.13248	4.2
137.41299	0.1
138.13635	0.2
143.02257	0.1
143.03394	4.0
153.01820	100.0
153.02841	4.0
154.02148	3.0
159.04399	0.3
163.05914	0.2
165.01848	0.1
171.01434	0.2
171.02882	3.3
171.04335	0.2
177.05501	0.3
179.03316	0.1
181.01353	0.3
183.02847	0.1
187.03856	0.2
189.05435	0.1
191.03500	0.2
195.02806	0.1
205.04968	0.5
207.03008	0.1
215.03293	0.2
217.04996	0.2
219.03018	0.1
233.04433	0.9
237.03989	0.3
243.02831	0.4
261.03967	2.0
262.04092	0.1
263.13400	0.1
263.16211	0.1
279.04980	2.9
280.05493	0.2
289.36392	0.1
297.06036	6.0
298.06348	0.3
315.07089	0.9
317.19531	0.2
355.39816	0.1
370.77884	0.1
449.07278	0.5
467.08200	8.6
468.08484	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.6
60.28128	0.5
61.02942	0.6
68.99781	1.1
69.03425	4.0
69.65519	2.9
79.05485	2.1
81.03416	1.4
81.07072	0.7
83.01374	1.0
85.02914	6.3
91.05485	3.4
91.15311	0.5
93.07049	1.4
95.04973	3.1
97.02870	1.7
103.05470	6.5
105.03377	1.0
105.07043	4.1
107.04967	5.6
109.02892	1.1
109.06509	1.5
111.04445	0.7
115.05456	2.5
117.07016	1.8
119.04946	4.5
121.02953	0.6
121.06496	3.6
123.04428	54.5
124.04764	1.7
125.02373	1.8
127.03857	0.8
128.06255	2.9
129.06999	1.9
131.04941	5.4
131.08560	1.2
133.06487	4.7
133.10132	0.6
135.04410	5.0
135.08017	0.8
137.02330	0.5
137.05972	12.5
139.03899	9.4
141.05458	2.3
141.06989	1.5
143.04950	1.3
143.08572	5.1
145.06487	2.7
147.04408	10.6
147.08047	2.1
148.05249	1.6
149.05980	17.1
151.03915	5.6
151.07553	11.9
152.04169	0.5
153.04420	0.6
153.05472	3.3
155.08510	0.6
157.06516	2.3
159.04459	1.4
159.08083	2.2
161.05975	29.4
161.09615	5.5
162.06396	0.7
163.03908	2.5
163.07536	9.8
164.08334	2.2
165.05511	4.2
165.09102	4.2
167.07048	2.8
169.06512	2.5
169.45383	0.6
171.08075	4.0
174.06834	0.8
175.07535	7.3
177.05464	38.0
177.09059	1.7
178.05836	1.8
179.07050	15.2
179.08566	0.7
180.07616	1.3
181.08672	0.8
183.08084	2.3
185.05907	3.0
185.09615	0.8
187.07542	6.6
188.08302	0.8
188.60410	0.6
189.05452	7.3
189.09094	15.0
190.06178	0.6
191.07123	1.1
193.04964	0.7
195.07872	0.7
199.07530	1.2
199.10924	0.6
201.05434	1.3
201.09087	1.5
203.07068	1.8
203.10732	1.0
207.06494	0.9
207.08235	1.2
207.10068	4.4
209.09708	1.1
211.07526	2.2
213.09198	2.0
215.07166	0.8
225.09032	1.6
227.06985	0.6
229.08684	1.7
235.07469	0.9
235.11229	0.8
239.07050	0.9
240.07608	0.6
253.08595	2.1
255.06499	0.7
255.10199	0.9
257.08014	0.7
265.08667	0.9
267.10156	2.5
269.08041	0.7
271.06058	1.2
273.07483	1.7
279.10284	0.7
281.08273	0.9
281.11615	1.1
283.09723	3.8
285.11172	5.4
291.08548	2.4
297.11215	2.3
299.09558	1.1
299.12802	3.6
301.10709	4.8
302.10870	0.8
309.11264	3.6
311.09103	2.5
312.09982	0.6
313.14124	2.9
313.75024	0.6
315.12280	4.5
318.37717	0.6
327.12207	5.0
329.13797	5.7
331.15381	41.6
332.15799	2.3
345.13318	100.0
346.13641	7.8
355.15289	0.7
357.13327	9.6
369.13269	3.0
387.14359	1.2
411.13934	0.9
461.16022	0.8
469.18585	15.8
470.18893	1.3
479.17035	14.7
480.17230	1.1
489.17496	2.1
497.17966	3.4
507.18655	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.5274
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	0.6
57.07070	0.5
57.26492	0.3
57.32778	0.2
58.06612	0.3
60.86968	0.3
66.15212	0.2
67.05502	1.3
69.07050	0.7
69.09544	0.7
69.09946	2.0
71.08633	0.6
79.05467	0.4
79.76089	0.2
81.35390	0.3
84.08139	22.8
85.06520	0.3
85.08466	0.4
86.09700	100.0
87.10032	2.0
89.22607	0.3
91.05485	0.7
93.07034	0.5
95.04962	2.8
98.09686	1.1
99.05580	2.0
103.05470	1.1
105.07023	0.9
110.09689	0.8
112.07616	0.8
112.11224	3.3
120.08096	37.5
121.08434	1.2
127.05019	0.5
132.08011	0.3
138.09137	3.6
141.10179	0.4
145.06065	0.3
146.09636	0.8
147.09137	0.4
152.14345	1.3
154.15897	9.6
155.11800	0.6
155.16270	0.3
157.13353	11.2
157.76414	0.3
165.10228	0.6
165.11615	0.3
166.08626	4.1
175.08649	3.1
180.13841	0.3
183.11292	2.3
184.09720	0.9
185.12846	12.6
186.12968	0.6
188.14345	3.1
191.11722	0.3
196.11288	0.3
197.16626	0.3
198.12958	0.2
199.18040	16.7
200.18384	1.0
201.12415	0.7
212.13872	0.3
219.11267	1.0
223.18004	1.4
225.16045	0.6
225.19600	3.0
227.17519	13.7
228.17874	1.0
231.14911	4.7
232.15039	0.3
233.16487	5.0
234.16844	0.5
237.15892	0.4
240.13551	1.1
243.17146	0.3
247.10851	0.3
251.17609	2.4
253.19096	3.0
254.19405	0.3
259.14398	3.6
259.18048	1.0
261.15970	5.2
265.22760	0.4
267.24243	4.0
268.20120	0.3
277.15463	4.9
277.22797	0.3
279.16898	1.8
280.20093	0.4
285.15958	0.4
287.17499	1.2
295.23749	2.5
296.19690	1.5
298.21237	10.5
299.21243	2.4
301.22754	2.2
302.18652	0.3
314.65814	0.3
322.24817	0.3
327.20639	0.6
329.22147	1.4
330.17978	1.9
332.15787	0.3
332.19443	1.5
338.24564	0.4
340.25873	3.8
341.26062	0.3
353.21643	0.4
364.25821	0.6
366.27322	0.9
372.22443	0.4
374.24246	1.6
383.30042	2.9
390.23877	2.8
392.25406	1.9
398.24252	0.9
400.25937	0.8
408.32050	0.4
409.27866	0.5
411.29620	7.2
412.29822	0.8
415.27084	0.4
417.28482	0.4
425.35031	0.5
443.26456	0.9
445.27838	1.3
453.34042	1.1
459.33286	0.6
466.29803	0.6
479.35791	0.8
487.32938	2.2
496.38629	2.3
497.38876	0.4
503.32318	3.6
505.33810	2.1
511.32379	1.0
513.34027	0.9
522.35944	0.8
524.37946	4.2
525.38446	0.6
529.34174	0.3
530.36743	0.7
540.37476	0.3
555.38879	0.4
556.34717	2.3
557.35022	0.4
558.36469	2.7
559.36127	0.3
570.40039	0.3
572.41785	0.6
574.35693	0.4
579.38483	0.4
590.42737	0.3
598.38416	0.3
600.40839	1.1
607.45062	0.4
616.40533	3.7
617.40881	0.5
618.41620	0.8
624.41357	1.5
626.42102	0.9
635.44104	1.0
641.43018	1.2
642.41785	0.3
643.45062	1.4
669.43134	4.3
670.43158	0.6
671.44824	3.4
672.44489	0.5
683.48389	0.4
687.43610	0.5
729.49054	0.4
737.48730	0.9
754.52051	3.1
755.51678	1.0
764.50085	1.0
778.39917	0.4
782.51648	8.6
783.51971	2.0
800.52826	6.2
801.52045	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.5269
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	0.3
57.07068	0.7
61.88457	0.3
65.03931	0.5
67.05502	2.6
69.07063	1.2
71.08612	0.5
78.67242	0.3
79.05488	1.0
81.07049	1.3
84.08138	32.2
85.04015	0.4
85.08463	0.7
86.09701	100.0
87.10024	1.9
89.07189	0.3
91.05466	3.7
93.07051	0.9
94.06557	0.6
95.04968	7.1
95.08594	0.7
97.06530	0.5
98.09679	1.1
99.05581	2.8
103.05460	1.4
105.07036	1.6
107.08585	0.9
109.10139	0.5
110.09668	1.2
112.07605	0.7
112.11234	4.8
113.10760	1.1
117.07017	0.4
119.08601	0.4
120.08098	47.7
121.08422	1.2
121.10144	0.6
124.07585	1.3
129.07013	0.6
137.05911	0.8
138.09181	0.6
141.10222	5.0
143.08479	0.4
145.10068	0.5
146.09610	1.5
152.14333	3.7
154.14682	0.7
154.15891	9.6
154.17139	0.5
155.11769	4.3
155.16228	0.3
157.13365	7.6
158.13721	0.3
163.11220	0.4
166.08601	0.4
168.50966	0.3
171.11584	0.4
175.08696	2.7
180.13826	4.3
182.57860	0.3
183.11305	3.4
185.12837	8.7
186.12846	1.1
188.14343	4.5
197.16507	2.6
198.14862	0.8
199.18044	13.9
200.18388	0.7
201.12302	0.5
208.13300	4.5
209.16449	1.1
214.12268	3.5
219.11266	0.9
223.18034	2.0
225.16048	2.8
225.19539	3.2
226.14406	1.1
227.17535	10.4
228.17896	0.5
231.14929	0.9
233.16458	13.5
234.16797	0.8
237.15961	0.4
237.88625	0.3
242.11766	3.4
243.14856	1.0
243.17018	0.7
248.84976	0.3
251.17627	1.5
253.19115	2.5
257.16415	0.5
259.14368	1.2
259.17957	1.1
261.15973	11.7
262.16275	0.5
265.22699	3.4
267.24332	2.2
271.14322	0.9
282.18149	0.7
285.15833	0.6
287.17551	1.6
291.19574	0.3
293.22351	1.5
295.23755	1.5
296.19696	2.6
298.21243	3.9
299.21069	1.8
301.22815	3.7
314.20740	0.6
316.16449	0.7
321.21744	2.0
327.20673	1.5
329.22174	3.0
330.17926	0.4
332.19653	3.7
338.24393	0.5
339.22577	0.8
340.26004	2.2
349.22339	0.4
355.19971	1.6
356.24210	0.4
364.25604	0.5
366.27795	0.8
372.22577	1.3
374.24402	4.7
381.28629	0.5
383.30035	0.9
398.24072	0.7
400.25998	1.7
409.28036	1.5
411.29810	2.6
417.28323	0.9
426.23584	2.0
434.29993	1.9
440.28903	0.6
442.30103	0.5
443.26312	0.8
445.28110	3.8
446.28619	0.3
452.31155	0.5
459.33118	1.3
461.27206	0.5
468.28400	0.4
469.32703	0.4
479.35748	0.7
485.30832	0.6
487.32535	2.3
494.36612	0.4
511.32504	1.2
513.33911	1.2
522.36121	1.3
524.37750	0.8
528.35040	0.6
530.37311	1.6
539.32092	2.8
553.37225	0.5
555.38818	0.4
556.35034	2.6
558.36572	4.2
559.36493	0.5
572.41687	0.5
574.36304	1.6
581.36945	2.0
590.42084	0.4
598.39337	0.8
624.41083	1.9
626.42352	1.4
635.44159	0.9
641.44012	1.6
643.44580	1.1
651.41870	0.4
652.40723	1.6
669.43262	8.0
670.43097	1.1
671.44757	3.0
687.43665	0.5
694.45081	0.5
709.48969	0.4
737.49146	1.6
754.52374	4.7
755.51752	0.7
764.49774	1.4
765.48932	0.6
782.51703	12.6
783.51410	2.4
800.53088	5.9
801.52112	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.5271
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	0.6
57.07074	0.4
62.18452	0.4
62.76258	0.3
67.05509	2.1
69.07069	1.2
69.18588	3.2
73.04479	0.4
79.05472	0.5
80.84978	0.4
81.07043	0.4
83.08617	0.4
84.08141	24.6
85.04057	0.5
85.06537	0.7
85.08464	0.7
86.09703	100.0
87.10016	2.1
91.05478	1.0
93.07036	0.9
95.04964	6.8
95.08598	0.4
96.08148	0.5
98.09707	0.6
102.09191	0.5
103.05464	1.0
105.07030	1.1
110.09691	1.4
112.07598	1.0
112.11243	4.8
113.10780	1.9
120.08100	59.2
121.08414	2.0
124.07567	1.8
130.06541	0.5
132.08122	0.6
141.10219	6.8
146.09666	1.4
152.14349	3.1
154.15895	7.3
155.11755	0.8
155.16202	0.5
157.13365	12.2
165.10167	0.6
167.11774	0.6
173.13054	0.4
175.08734	0.5
180.13812	6.0
185.12854	11.0
186.12975	0.5
188.14357	4.2
197.16524	3.0
199.18037	11.3
201.12346	0.9
208.13319	7.6
209.16470	1.1
219.11342	1.0
223.17995	1.2
225.15974	3.3
225.19556	3.1
226.14328	1.2
227.17526	10.0
228.17999	0.5
233.16473	18.7
234.16840	0.9
237.15970	0.5
243.14865	0.8
243.17053	1.7
251.17525	0.9
253.19102	4.1
259.18008	1.7
261.15970	15.6
262.16327	1.0
265.22781	1.8
267.24304	1.8
271.14386	0.6
277.15405	1.7
282.18079	0.8
287.17413	1.3
293.22058	1.7
295.23743	1.3
296.19635	1.5
298.21179	6.4
299.21194	1.6
301.22641	3.6
314.20706	1.5
321.21643	2.0
327.20761	0.7
328.33762	0.4
329.22235	2.9
332.19653	5.0
338.24335	1.5
340.25952	1.3
355.20102	2.0
356.25430	0.4
364.26010	0.5
366.27451	0.8
374.24335	6.0
381.28415	0.8
383.30029	1.3
390.23676	1.6
400.25912	2.1
406.30566	0.7
406.51010	0.5
409.27847	1.2
411.29626	3.9
417.28528	1.8
427.28775	1.1
440.29001	1.3
442.30499	0.5
445.27954	5.5
446.28223	0.8
459.33292	1.2
468.28561	3.7
479.35971	0.5
487.32559	1.3
494.36887	0.4
496.38431	0.9
503.32056	0.8
511.32437	0.5
513.34332	2.1
522.36316	1.4
524.38025	0.9
528.35352	0.7
530.37219	2.7
531.36377	0.4
539.32550	2.2
553.37152	0.7
556.34735	1.5
558.36383	6.0
574.35358	1.3
581.37384	2.0
590.42163	0.7
598.39471	0.7
616.40338	0.9
624.40375	1.3
626.42456	1.0
641.43793	2.0
642.43085	0.4
643.44604	1.2
652.40942	3.6
653.39056	0.4
669.43268	5.4
670.43536	0.8
671.44940	2.5
687.44025	1.5
711.47418	0.5
737.48865	1.3
754.52020	3.6
755.51044	1.3
764.50995	0.7
766.48871	0.5
782.51752	10.4
783.51935	2.2
800.52875	8.9
801.53186	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.5273
Annotation	Unknow
Peak:m/z	Relative Intensity
58.19640	0.4
60.04515	1.2
66.07866	0.4
67.05514	0.5
69.07069	0.7
71.08619	1.1
73.30170	0.3
79.05472	0.4
81.07053	1.1
83.07314	0.4
84.08146	0.4
86.09703	100.0
87.05576	1.2
87.10035	1.4
91.05480	0.9
93.07001	1.0
95.08597	1.0
98.09692	1.1
103.05460	1.4
105.07003	1.9
107.68756	0.4
110.09694	1.0
112.11253	0.4
119.08620	0.5
120.08097	42.9
121.08437	0.9
121.10215	0.4
128.10710	3.6
132.08131	0.6
133.10046	0.5
134.85773	0.5
135.11629	0.5
144.08118	0.6
145.10110	0.5
153.10213	0.5
154.15894	16.4
155.11787	2.4
155.16322	0.7
161.13261	0.5
162.09105	0.9
169.23959	0.4
173.12843	12.8
181.07141	0.4
181.09714	0.5
183.11313	1.8
188.14340	6.6
199.18033	14.4
200.18471	0.5
201.12343	8.6
207.53818	0.4
208.19749	0.4
217.09727	0.6
223.17992	0.6
227.17529	9.6
233.16470	9.4
241.19106	3.5
243.14967	0.5
251.17644	1.0
261.15942	5.4
267.24332	5.6
268.20261	1.4
268.24652	0.5
269.18582	3.4
275.17520	1.5
285.16046	0.6
295.23700	2.8
296.19681	7.9
296.53870	0.4
297.20047	0.6
301.22726	4.7
302.22961	0.7
303.17102	0.7
305.77451	0.4
314.20767	5.8
326.20731	0.4
329.22244	2.6
330.18222	3.8
340.25919	2.8
341.25983	0.4
348.19263	1.4
364.25861	0.7
374.24438	4.0
381.28519	0.7
382.27017	1.6
398.24500	1.1
399.29578	0.8
408.32471	0.6
409.28088	9.1
410.28430	1.4
415.27023	0.8
416.25308	1.1
425.34891	0.4
427.29156	2.8
442.30698	1.4
443.26453	2.0
453.34378	0.9
459.33392	1.4
461.27631	1.2
487.32739	2.5
495.35513	1.6
505.33716	0.9
511.32941	1.3
522.36517	8.5
523.36597	1.1
528.34949	0.5
529.33820	1.5
540.37445	2.4
546.36218	1.4
555.39087	1.6
556.34821	4.0
557.35144	0.7
572.41510	0.5
574.35815	3.1
600.41010	0.6
608.43939	1.2
624.41150	1.1
635.44873	0.7
641.43915	1.2
642.42267	2.5
652.41022	0.5
653.45819	0.8
659.44879	2.2
669.43219	5.9
670.43384	0.9
687.44354	3.9
688.45050	0.7
737.47327	0.5
754.51453	0.8
755.50256	1.4
772.53015	1.8
773.53339	0.6
782.51941	2.5
783.52509	0.7
800.53979	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.551
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20901	2.5
57.03429	8.2
57.07074	35.7
65.66920	2.4
67.04884	2.6
67.05171	4.8
67.05505	31.3
69.03426	8.4
69.07072	24.3
71.08639	23.8
72.34201	2.0
79.05482	14.7
81.03415	5.5
81.07053	28.8
83.04980	4.7
83.08612	16.2
85.10172	13.0
91.05484	16.9
93.07042	18.6
95.04946	4.3
95.08609	21.4
97.02885	9.1
97.10170	11.7
97.52544	2.3
98.23421	4.9
105.07022	16.3
107.04958	3.8
107.08625	15.4
109.06509	3.7
109.10168	19.6
117.07015	7.1
119.08607	12.3
121.06486	6.4
121.10143	9.8
123.08032	5.7
123.11696	5.3
125.09622	8.2
131.08560	9.0
133.06474	4.9
133.10106	16.5
135.08054	5.1
135.11708	6.1
137.09622	12.1
138.09904	2.3
139.11154	2.8
145.10123	5.7
147.08064	6.6
147.11632	4.8
149.09692	3.0
151.11165	6.5
159.11693	3.4
161.09645	2.7
163.11154	3.4
165.09100	4.1
184.07362	5.5
189.11191	4.0
191.07014	2.8
193.12315	2.5
205.08588	3.3
209.08128	4.3
211.13258	3.4
223.09691	7.9
223.13306	15.3
227.12793	7.0
235.13335	4.7
237.14914	6.3
249.14868	8.2
250.15198	3.4
273.18466	12.9
283.15225	3.3
291.19522	100.0
292.19867	5.1
313.27365	80.8
314.27740	4.1
347.22086	3.8
355.19415	4.0
365.23236	58.4
366.14474	3.3
366.23608	6.1
403.11810	2.4
404.12183	2.7
474.16379	5.2
480.21243	5.8
490.19260	3.1
491.16882	3.7
492.17044	5.1
523.39832	5.6
549.25012	5.3
550.25232	16.3
563.26135	7.5
564.26825	16.3
603.46167	80.7
604.46191	8.9
617.30994	3.5
618.31000	13.8
730.36548	6.1
782.38977	5.2
800.40649	38.9
801.41144	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	802.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.2
65.22838	0.2
67.01857	0.2
69.03421	3.0
69.56853	1.0
71.01351	0.3
71.04984	0.4
73.02914	0.2
74.59930	0.2
81.03408	2.8
85.02911	1.8
89.03909	0.3
91.05455	0.6
97.02878	0.5
99.04433	0.8
101.02357	0.3
103.05482	0.9
109.02875	1.8
119.04935	0.3
125.17154	0.2
127.03893	1.8
129.03339	0.5
131.04884	0.5
145.02863	0.2
145.04947	0.5
147.04411	1.1
157.02838	1.1
159.04430	0.3
163.03902	0.3
173.02301	0.7
175.03915	1.9
176.06174	0.2
182.26514	0.2
185.02296	1.1
187.03897	4.5
191.03392	0.8
201.01819	1.5
202.02692	0.4
203.03383	3.3
213.01807	3.9
215.03363	3.8
216.03844	0.2
217.01393	0.2
219.02869	0.6
229.01254	1.9
230.02048	0.5
231.02861	19.1
232.03134	1.0
238.81441	0.2
241.01326	3.3
242.01714	0.2
247.02351	2.3
252.66129	0.2
257.00821	2.5
258.01147	0.3
259.02362	31.2
260.02734	2.0
261.03928	0.2
265.04980	0.2
275.01828	3.4
276.02722	1.1
277.03400	100.0
278.03738	5.3
285.00302	1.6
289.03445	0.8
303.01315	36.2
304.01602	1.7
315.01312	0.7
321.02347	2.1
328.99200	0.4
343.04385	0.2
345.02603	0.4
363.03397	0.5
367.04251	0.4
373.86438	0.2
385.05392	0.5
387.03461	0.8
411.03674	0.4
429.04480	0.5
447.05475	0.7
465.06702	2.5
483.07861	0.4
717.07471	0.2
780.66449	0.2
785.08441	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03406	0.3
62.93120	0.2
67.01848	0.3
69.03120	0.2
69.03432	2.3
69.59002	1.0
71.01331	0.3
71.04995	0.4
71.50494	0.2
73.02869	0.3
81.03415	2.6
85.02899	1.7
86.38304	0.2
91.05459	0.6
97.02844	0.5
99.04436	0.8
101.02357	0.4
103.05442	0.7
109.02865	1.9
110.97038	0.2
119.04948	0.5
122.90401	0.2
127.03900	2.0
127.28233	0.2
129.03345	0.3
131.04924	1.0
145.02840	0.4
147.04382	0.8
153.27525	0.2
157.02875	1.0
159.04404	0.3
163.03865	0.5
173.02325	0.9
175.03903	2.6
177.05408	0.2
185.02351	1.4
187.03894	5.3
188.04228	0.2
191.03439	0.5
201.01825	1.4
203.03369	3.5
213.01828	3.9
213.38055	0.2
214.02245	0.2
215.03377	4.5
219.02812	0.4
229.01326	2.0
230.02010	0.7
231.02867	20.4
232.03136	1.1
241.01289	3.7
242.01854	0.3
247.02383	3.0
257.00772	2.2
259.02362	33.7
260.02695	1.9
261.03918	0.3
275.01855	3.9
276.02484	1.6
277.03403	100.0
278.03763	5.0
278.06830	0.2
285.00385	2.0
285.03256	0.3
289.03406	0.9
292.56079	0.2
297.03989	0.4
299.01889	0.5
301.03220	0.3
303.01324	36.4
304.01645	2.0
313.03412	0.4
315.01514	1.0
315.04724	0.3
321.02322	1.6
327.01767	0.2
328.99271	0.4
341.02798	0.3
343.00732	0.3
343.04529	0.5
345.02289	1.2
355.04294	0.4
367.04205	0.3
381.02249	0.2
383.03912	0.3
385.05499	0.6
387.03534	1.5
411.03397	0.4
429.04535	0.7
447.05536	1.3
465.06729	2.3
466.06641	0.3
591.03821	0.2
596.25232	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02375	0.4
65.40688	0.3
69.03398	1.1
69.94067	1.4
75.47545	0.3
79.05474	0.4
81.03402	1.3
85.02872	1.3
91.05464	0.6
99.04463	0.5
103.05438	1.2
109.02866	0.9
115.05424	1.4
131.04951	1.9
143.04907	0.9
145.02835	0.4
147.04395	1.1
153.01767	1.2
155.04906	1.1
157.02840	1.2
157.06448	0.5
159.04416	1.9
161.05930	0.6
163.03976	0.7
171.04408	4.1
173.02361	2.0
175.03876	2.2
177.01826	0.5
177.05420	1.0
181.06487	0.8
183.04424	0.9
185.02351	1.5
185.05994	1.0
187.03899	6.6
189.05405	1.0
191.03374	1.4
195.04448	0.8
197.06015	0.5
199.03906	6.2
201.01794	3.1
203.03377	4.0
205.05005	1.1
209.02287	0.5
211.03889	1.8
213.01891	2.9
213.05475	2.5
215.03395	6.9
216.03960	0.5
217.04955	1.6
219.02786	0.7
223.03908	1.3
225.05418	0.9
225.73259	0.4
227.03394	7.1
227.06969	0.6
228.03778	0.5
229.01302	4.3
229.04846	1.8
231.02896	15.7
232.03387	1.1
233.04390	1.0
237.01767	0.9
237.05472	1.2
239.03345	1.7
241.01262	2.6
241.04904	2.9
242.01834	0.6
243.02879	8.5
244.03493	0.4
245.04503	2.5
247.02315	5.5
251.03345	1.0
253.04994	1.0
255.02872	7.7
255.05798	0.5
255.06644	0.6
256.03381	0.5
257.00879	3.0
257.04388	1.3
259.02380	23.9
260.02917	1.1
261.03943	3.2
265.00784	0.4
265.05045	1.0
267.02875	0.9
269.04422	4.3
271.02386	8.2
273.03979	9.3
274.04144	0.8
275.01920	5.1
276.02441	1.8
277.03427	50.8
278.03839	3.9
281.04401	1.1
283.02414	5.3
283.05609	0.6
284.02924	0.6
285.00342	1.7
285.03891	1.1
287.02066	0.8
287.05444	0.9
289.03433	14.7
290.03864	1.2
293.04529	0.7
297.03876	4.5
299.01859	19.8
300.02188	1.3
301.03427	20.0
302.00613	0.6
302.03766	1.3
303.01361	41.9
303.04510	1.6
304.01709	2.8
305.02838	3.6
309.03955	0.5
311.02109	0.5
311.05432	1.1
313.03412	3.4
315.01324	5.9
315.05011	5.3
316.01968	1.0
317.02914	5.2
319.04510	1.1
321.02200	2.6
323.01761	0.9
325.03134	0.8
327.01361	7.8
327.04718	0.4
328.99261	0.9
329.02969	1.4
329.06555	0.7
331.00940	1.3
331.04581	0.5
337.03271	0.4
339.01132	0.9
339.05051	2.6
341.02847	2.6
343.00812	0.7
343.04471	6.8
344.04840	0.5
345.02411	100.0
346.02768	8.0
355.04462	1.8
357.06180	1.1
361.01987	0.6
363.03406	0.7
365.02802	0.5
367.04660	2.6
369.02438	2.5
373.05600	0.5
381.02249	1.1
385.05548	4.5
387.03580	1.3
393.02487	0.6
399.03464	0.9
403.06653	0.6
411.03314	1.8
423.05164	0.7
429.04468	1.0
447.05612	8.4
448.06168	0.6
465.06665	2.9
592.50116	0.4
785.07513	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.5669
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	20.5
57.07079	60.2
60.01896	3.5
65.03941	4.9
65.46568	4.1
67.05504	79.2
69.03426	11.2
69.07065	42.4
69.17490	3.9
69.29526	11.1
69.29941	20.0
70.62070	4.2
71.05013	8.9
71.08637	41.5
71.42758	3.9
79.05494	57.4
81.03414	14.3
81.07058	95.3
82.07379	4.7
83.04977	15.1
83.08624	27.4
85.02897	5.3
85.06563	5.4
85.10175	18.8
91.05476	53.6
93.07042	49.3
95.04965	11.8
95.08103	5.4
95.08613	59.5
97.02867	5.8
97.06534	20.6
97.10175	18.1
104.68761	3.6
105.07032	49.8
107.04954	9.2
107.08590	40.6
109.10139	26.1
112.54861	3.7
117.07001	15.8
119.08586	21.6
121.06496	9.0
121.10141	19.2
123.11726	12.4
125.09602	7.0
129.07025	8.1
131.08618	18.5
133.10129	52.0
134.10448	6.4
135.08035	6.7
135.11681	16.0
137.09612	26.2
139.11168	12.5
143.08531	4.5
145.06462	4.9
145.10138	17.2
147.08080	4.5
147.11638	8.4
149.09642	18.9
149.13260	14.7
151.11119	4.7
153.05466	4.8
159.11711	13.6
161.09573	4.1
161.13156	6.3
163.07489	10.9
163.11252	6.5
163.37079	4.9
165.05507	4.2
167.10677	7.6
171.11641	5.1
173.13231	7.8
175.11134	5.9
177.05458	10.3
179.10602	5.4
191.07072	20.2
193.08640	5.2
195.13808	5.4
205.08595	13.5
209.08144	9.5
210.08528	4.6
219.06555	4.7
223.09682	11.5
235.13298	13.2
237.14819	16.7
239.18048	5.1
239.23712	5.0
255.15874	11.9
261.07602	6.1
269.17523	30.4
273.04001	6.9
275.20142	27.2
297.14594	4.2
313.10712	8.9
313.27396	100.0
314.27765	6.6
331.11743	12.3
343.19287	4.7
349.23718	28.5
357.16833	5.0
369.20663	4.1
385.16238	5.9
460.23892	4.4
479.20380	5.7
493.38498	15.4
501.23608	4.5
507.40421	78.1
508.40619	10.9
549.24799	9.1
567.25873	89.1
587.46899	21.8
605.47717	10.5
621.30737	5.3
660.85016	4.9
687.36389	4.0
785.38300	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	803.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
59.58997	0.4
61.46328	0.4
69.03426	0.4
70.46342	1.0
70.57113	0.4
79.01847	1.2
80.31215	0.3
81.03411	0.6
97.02918	0.6
111.17517	0.4
125.02347	0.6
125.57362	0.4
127.03915	1.3
143.03391	1.5
153.01826	18.2
153.02902	1.0
158.24680	0.4
163.03946	0.4
167.07037	0.8
187.03868	1.0
231.02927	3.6
241.01071	0.4
259.02380	4.0
260.02658	0.5
261.03964	0.4
275.01828	0.5
277.03436	13.7
303.01361	3.7
413.14160	100.0
414.14459	7.1
431.13919	0.9
454.01163	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	3.0
57.07080	9.9
59.05001	2.7
65.03966	2.1
65.73228	1.5
67.05505	10.2
69.03424	5.0
69.07062	6.6
69.88196	8.0
71.04990	6.2
71.08638	6.2
79.05493	6.2
81.07055	11.7
83.04977	4.0
83.08630	3.1
85.10169	2.6
87.04475	3.1
87.18212	1.7
91.05463	8.3
93.07037	6.0
95.08608	9.1
97.06525	5.6
97.10133	2.8
98.23337	1.9
105.07043	9.4
107.04976	1.6
107.08597	10.0
109.06528	3.0
109.10151	6.0
111.08047	2.2
117.07028	2.8
119.08588	5.2
120.66386	1.4
121.06500	2.9
121.10160	10.1
121.10925	1.5
123.08087	3.4
123.11692	4.5
125.09641	2.8
125.89315	1.6
131.08588	3.3
133.10136	10.9
134.10449	1.6
135.04326	1.8
135.08090	2.7
135.11705	2.1
137.06021	2.5
137.09616	36.0
138.09988	1.6
139.03873	2.0
139.11182	11.3
145.10150	3.2
147.08081	3.2
147.11655	2.6
149.09622	6.7
149.13254	2.0
150.10353	2.6
153.05458	2.9
161.09601	2.4
163.07584	4.4
165.09065	2.0
167.10696	5.6
173.13275	2.4
175.07556	2.1
175.11214	2.0
177.05475	5.9
177.09132	2.4
179.10600	1.9
189.09158	3.0
189.12704	2.7
191.07021	18.2
191.14333	2.3
193.08543	3.3
193.12198	3.4
203.07001	3.3
205.08586	3.9
207.13867	3.8
209.08064	2.6
209.15414	4.2
215.07071	2.9
219.06500	11.1
219.13789	2.7
223.09756	2.8
231.10207	2.2
233.11736	2.4
235.13249	21.8
237.14833	23.6
239.10721	2.3
243.06572	4.8
243.10066	2.3
245.11655	5.3
249.14862	5.1
255.10081	2.0
257.11810	2.4
257.19092	1.8
259.05975	2.8
260.06952	2.9
261.07599	13.9
269.11804	3.5
271.09790	2.5
271.13293	2.3
273.03885	8.2
273.07147	2.0
273.11520	2.1
275.20032	3.0
283.06256	2.0
285.11340	8.6
295.09634	2.5
296.10437	3.8
297.07559	3.4
297.11145	3.6
298.08340	5.3
299.09192	1.8
311.09103	2.4
313.10678	16.0
313.27362	11.5
314.27695	4.0
315.12183	6.1
316.09561	4.2
327.08640	3.0
330.11429	3.2
331.11734	20.3
339.15866	4.1
343.18930	2.2
344.11923	1.9
351.12326	2.0
357.16812	4.0
367.15311	7.4
370.14197	3.0
385.16412	12.6
389.13913	1.8
395.14655	2.3
397.16599	2.1
409.20386	2.0
427.21173	2.8
433.20004	1.7
451.20755	2.1
453.22742	2.1
465.18991	4.5
479.20184	4.5
491.17087	3.2
497.21835	4.6
504.65076	2.1
507.40186	6.1
508.40549	6.6
523.27277	1.9
531.23993	4.0
549.24774	15.9
550.24640	3.1
567.25867	100.0
568.26068	10.4
585.26007	2.5
603.29144	4.2
621.30548	15.8
622.31549	2.2
687.34723	5.8
689.36713	9.6
759.41071	8.6
760.40961	2.7
767.37756	2.0
785.38977	21.8
786.38666	2.4
803.39746	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	803.6237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	4.6
57.07077	4.1
59.05000	1.6
61.86446	0.7
65.03941	3.0
67.05505	82.0
68.05852	1.9
69.03429	2.1
69.07069	42.5
69.64116	3.2
71.04992	8.2
71.08633	1.4
73.06561	1.3
74.12087	0.6
79.05495	40.4
80.05809	0.9
81.03411	2.2
81.07058	100.0
82.07391	2.7
83.04980	6.2
83.08615	16.7
83.86365	0.7
84.08966	0.8
85.02920	0.9
85.06548	7.6
91.05482	21.5
93.07047	58.3
94.07353	0.9
95.04981	6.1
95.08608	92.3
95.69588	0.6
96.08945	2.4
97.06533	12.8
97.10174	12.5
98.23228	0.9
99.08099	3.0
105.04492	0.7
105.07031	18.3
107.04986	1.0
107.08595	32.8
108.08894	1.2
109.06516	2.9
109.10157	44.8
110.10507	1.2
111.08076	5.1
111.11711	4.2
115.05489	0.8
117.07053	5.7
119.08580	17.8
121.06528	1.3
121.10149	38.5
122.10465	1.4
123.08076	4.6
123.10776	0.9
123.11710	18.0
124.12009	0.8
125.09599	4.1
129.07018	1.1
131.08568	12.3
133.10133	14.6
135.08051	1.9
135.11694	25.4
136.12007	1.0
137.09599	3.9
137.13248	7.3
139.11177	15.9
143.08595	1.6
145.10127	12.5
147.11685	14.2
148.12035	0.7
149.09605	3.0
149.13251	12.0
151.11198	3.5
151.14833	3.0
153.12718	2.4
155.10663	1.3
157.10089	1.9
157.12225	2.4
159.11684	10.2
161.13272	12.3
163.11217	2.2
163.14876	4.6
165.12752	3.2
165.16322	0.9
167.10742	1.3
167.14302	1.4
171.11716	2.6
173.11754	1.7
173.13226	8.6
175.11224	0.9
175.14818	4.3
177.12712	1.4
177.16399	2.8
179.14272	3.2
183.13750	0.9
185.13210	1.9
187.13345	1.1
187.14825	4.5
189.11266	1.5
189.16348	1.6
191.14316	2.0
191.17970	1.0
195.13773	1.4
197.15292	0.8
201.16409	2.7
203.17996	0.9
205.16016	1.1
209.15317	1.9
209.18976	0.9
213.16345	0.8
215.16254	0.8
215.18068	1.3
223.16977	1.8
225.94196	0.6
231.21101	1.0
233.22581	1.2
235.16835	0.7
237.18486	0.7
241.19548	0.8
243.21078	13.9
243.23483	1.0
259.20587	1.0
261.22141	34.2
262.22488	2.4
267.15967	2.8
268.16156	1.3
276.74377	0.7
277.21701	1.5
279.23184	91.5
280.23523	6.1
297.24234	33.9
298.24551	1.6
329.17252	0.9
335.25760	2.6
336.26120	1.8
378.85172	0.7
381.31473	1.4
399.32504	10.0
417.33655	23.1
418.33856	1.9
433.33047	0.8
435.34671	29.1
436.34787	3.1
453.35706	10.4
454.35822	1.3
503.42322	0.9
521.43243	1.9
528.37366	1.8
529.45837	0.9
539.44360	6.5
546.38324	1.1
557.45642	14.7
558.45813	1.9
575.46576	9.3
576.47186	1.1
593.47394	2.9
611.48224	1.1
664.03833	0.8
677.54132	0.9
695.56232	3.6
713.57135	8.9
731.58118	5.6
732.57916	0.7
749.58276	2.1
767.60266	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	804.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78050	0.2
57.03423	0.4
57.26994	0.2
57.65123	0.2
58.50526	0.2
61.02900	0.3
65.53688	0.2
68.99776	0.3
69.03427	3.2
69.23101	1.7
71.04987	0.8
79.01850	4.7
81.03410	5.1
83.01319	0.3
85.02898	1.8
89.37784	0.2
91.05482	0.3
97.02881	5.2
99.00841	0.3
99.04460	1.6
103.05465	0.7
105.50495	0.3
107.01300	1.2
108.04459	0.3
109.02867	7.4
111.04388	0.2
119.04923	0.3
123.00748	0.2
125.02342	2.6
127.03905	13.5
128.04274	0.3
129.03368	0.3
131.04919	0.5
139.03877	0.4
143.03383	5.8
145.04933	2.4
147.04404	0.9
153.01814	87.6
153.02867	4.2
154.02151	2.7
157.02890	0.7
159.04291	0.3
163.03880	0.5
171.02882	4.9
173.02289	0.7
175.03877	1.8
177.05333	0.3
185.02263	1.3
187.03879	4.3
191.03429	1.2
201.01843	1.5
203.03375	2.8
205.04887	0.3
207.02963	0.4
213.01807	2.8
215.03371	3.8
216.03706	0.3
217.01436	0.3
219.02861	0.5
226.34340	0.2
229.01309	2.0
230.01852	0.5
231.02864	16.9
232.03185	0.9
241.01288	2.7
247.02350	2.3
257.00781	2.8
259.02359	30.1
260.02707	1.7
261.03903	0.7
269.04453	0.3
275.01840	4.6
276.02594	3.8
277.03394	100.0
278.03745	5.2
279.04947	0.4
285.00275	2.2
289.03342	0.6
297.06067	2.1
303.01315	32.8
304.01657	1.9
315.01450	0.2
315.07062	2.7
321.02243	1.3
339.05035	0.4
343.04233	0.3
357.05884	0.4
367.04300	0.3
385.05460	1.4
411.03537	0.4
429.04514	0.9
447.05511	13.5
448.05777	1.2
527.71594	0.3
617.07605	3.1
618.07434	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	1.7
70.70798	0.5
71.04993	0.3
73.72134	0.2
79.01386	0.3
79.01851	6.6
79.05508	0.2
81.03416	2.4
85.02905	0.4
87.00813	0.2
91.05475	0.5
93.59769	0.2
97.02884	2.4
99.04449	0.5
103.05457	0.7
105.57280	0.2
107.01333	1.4
109.02866	1.6
119.04961	0.4
123.04420	0.3
125.02348	3.5
127.03909	3.4
129.03362	0.3
131.04919	0.8
135.04387	0.2
139.03928	0.2
142.02118	0.2
143.03387	7.2
145.02800	0.2
145.04959	0.5
147.04425	1.0
153.01819	100.0
153.02888	5.9
154.02145	2.6
157.02826	0.6
159.04414	0.8
163.03908	1.0
171.02902	0.9
173.02394	0.3
175.03868	1.4
177.05360	0.2
179.03429	0.6
181.01318	0.2
185.02335	0.9
187.03873	3.8
189.05415	0.3
191.03394	2.0
201.01860	0.6
203.03386	2.2
205.04918	0.7
207.02904	0.7
209.04460	0.5
213.01843	2.3
215.03372	2.7
219.02835	1.0
221.04254	0.2
229.01292	0.7
230.01949	0.4
231.02876	13.4
232.03212	0.6
233.04471	1.3
234.05086	0.2
237.03897	2.4
241.01297	2.2
247.02371	1.1
249.03966	0.2
257.00842	0.6
259.02368	21.9
260.02762	1.1
261.03915	1.8
267.05042	0.4
267.97281	0.2
275.01901	1.4
276.02594	0.8
277.03409	78.0
278.03748	3.9
279.05078	1.2
285.00302	0.8
297.06015	3.1
298.06531	0.2
303.01331	14.1
304.01590	0.6
315.06897	0.5
320.04437	0.2
321.02469	1.4
363.03296	0.7
404.02631	0.2
447.05453	0.6
449.06970	0.5
467.08044	0.8
617.07697	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	1.7
70.53594	0.2
71.31559	0.2
79.01853	6.9
81.03411	2.0
83.01326	0.3
85.02900	0.3
87.00871	0.2
97.02895	1.9
97.94315	0.2
99.04436	0.2
103.05452	0.4
107.01332	1.1
107.27026	0.2
109.02871	1.7
113.32416	0.2
119.04855	0.3
123.00789	0.3
125.02333	3.4
125.03200	0.3
127.03905	3.6
131.04922	0.8
139.03957	0.3
143.03392	7.0
145.04947	0.5
147.04428	0.8
153.01819	100.0
153.02872	5.1
154.02168	2.9
157.02884	0.6
159.04369	0.9
163.03908	0.7
171.02913	0.6
175.03871	1.1
177.05417	0.3
179.03409	0.6
185.02359	0.6
187.03886	2.7
189.05484	0.6
191.03398	1.8
201.01819	0.6
203.03374	1.9
205.04979	1.1
207.02846	0.6
209.04460	0.5
213.01830	1.8
215.03372	2.6
219.02954	1.1
229.01366	0.9
230.02141	0.3
231.02866	11.5
232.03247	0.8
233.04367	1.3
237.03978	2.5
241.01270	1.9
247.02383	1.0
249.03963	0.2
257.00739	1.0
259.02371	19.8
260.02841	1.2
261.03940	2.3
267.05038	0.3
269.05231	0.2
269.71146	0.2
275.01901	1.6
276.02679	0.9
277.03409	73.1
278.03769	3.3
279.05008	1.4
285.00336	0.6
297.06055	2.1
302.00940	0.2
303.01334	15.6
304.01611	0.9
315.07040	0.4
321.02353	1.5
345.02490	0.4
355.14661	0.2
363.03378	0.7
421.62878	0.2
429.04630	0.3
447.05545	1.0
449.06964	0.5
454.01016	0.4
455.01477	0.4
467.08127	0.8
589.92682	0.2
599.06482	0.3
617.07617	1.1
775.29510	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	3.0
71.04982	1.0
71.31042	0.6
79.01849	4.4
81.03416	6.3
85.02913	2.2
92.95663	0.3
97.02899	6.4
99.04478	1.7
103.05460	0.7
107.01308	0.9
108.04480	0.4
109.02874	6.9
119.04960	0.7
125.02362	2.0
127.03919	15.6
127.04868	0.7
129.03319	0.3
131.04900	0.5
141.09851	0.3
142.74216	0.3
143.03392	5.8
145.04922	1.8
147.04398	0.9
153.01826	86.4
153.02902	4.6
154.02153	2.3
157.02791	0.8
163.03929	0.5
171.02888	5.1
173.02428	0.6
175.03905	1.6
185.02324	1.0
187.03894	4.1
191.03387	0.8
201.01869	1.5
202.02629	0.5
203.03378	2.7
213.01794	2.8
215.03326	3.9
219.02827	0.9
229.01350	1.9
230.02054	0.5
230.42896	0.3
231.02876	16.9
232.03366	0.6
241.01331	2.3
247.02393	2.6
257.00806	3.1
258.01355	0.4
259.02380	31.0
260.02823	1.9
261.03967	0.8
275.01871	5.1
276.02603	2.7
277.03424	100.0
278.03790	4.7
279.05182	0.4
285.00278	2.5
289.03296	0.4
297.06030	1.4
303.01349	36.5
304.01633	1.8
313.03357	0.5
315.07144	2.6
321.02380	1.5
327.05133	0.6
343.04257	0.4
363.03699	0.4
367.04575	0.4
382.79788	0.3
385.05548	1.7
395.16205	0.3
429.04422	1.1
447.05569	16.3
447.11826	0.8
448.05893	1.0
617.07788	3.6
618.08490	0.4
715.40192	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05843	1.4
57.03437	19.6
57.07061	2.0
59.04998	6.1
61.02931	6.5
65.03936	2.5
67.05502	75.3
68.05826	1.0
69.03424	5.8
69.07068	13.4
71.01340	3.4
71.04987	6.4
71.32423	0.8
71.32815	0.8
72.98158	0.7
73.02912	3.4
79.05491	35.5
80.05811	0.9
81.02954	1.5
81.03413	20.0
81.07052	41.0
82.07372	0.8
83.01333	10.1
83.04976	16.8
83.08618	21.6
84.08891	0.9
85.02898	18.9
85.06544	3.2
87.04462	3.7
91.03952	1.9
91.05475	24.7
93.07040	36.3
94.07371	1.4
95.04964	10.6
95.08603	17.5
97.02888	7.7
97.06531	7.4
97.10162	13.0
99.04443	4.4
99.08117	1.0
103.03923	1.0
103.05476	0.9
105.04516	0.9
105.07030	14.6
106.07371	0.9
107.04948	12.9
107.08589	22.5
109.02844	0.8
109.06527	9.2
109.10152	47.4
110.10462	1.5
111.04436	4.8
111.08092	3.9
113.06014	0.8
115.05460	1.3
116.04807	0.8
117.07018	10.6
119.08575	14.2
120.08938	0.8
121.06503	5.5
121.10138	10.4
123.08076	10.1
123.11675	1.7
125.05965	2.5
125.09632	15.4
129.05467	3.0
129.06989	2.6
130.07797	2.1
131.08569	6.8
133.10136	5.9
135.08040	3.2
135.11687	14.0
137.05949	0.9
137.09613	4.5
139.07553	1.6
139.11130	0.9
143.08540	1.5
143.10663	2.7
145.06526	0.9
145.10123	18.2
146.10475	0.9
147.08055	2.8
147.11662	2.3
149.09608	1.9
153.09129	0.9
153.12741	7.6
155.08546	2.0
155.10629	3.0
157.10098	1.1
159.11717	1.3
163.11171	34.7
164.11494	1.4
165.09204	0.7
173.09616	4.3
173.11739	14.7
173.13237	0.9
176.08046	0.7
181.12231	7.7
189.11188	1.4
191.10666	6.3
193.12228	2.8
199.13242	6.6
209.11708	19.5
211.13301	1.7
227.12769	14.8
229.14334	50.0
230.14690	2.0
265.14294	1.2
267.15906	2.8
275.19910	1.6
283.15387	100.0
284.15631	6.8
289.50507	0.8
301.16464	16.1
302.16788	0.8
311.15030	1.0
399.18820	0.9
399.23788	13.7
400.24115	1.0
407.24268	2.9
423.95526	0.9
425.25458	5.6
437.25305	36.7
438.25632	2.9
475.26883	1.5
487.35361	0.8
491.26080	1.6
503.33627	1.1
509.27408	8.4
527.28375	1.4
607.34717	20.0
608.34680	2.3
732.55579	0.9
804.49768	1.1
805.38196	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	10.9
58.44061	1.0
60.35251	1.0
65.03938	2.5
67.00916	1.3
67.05502	66.9
68.05849	1.7
69.03439	7.0
69.03742	1.1
69.07069	20.2
71.04997	7.4
71.32055	1.9
73.02924	1.2
79.05043	2.4
79.05490	40.1
79.05954	2.4
81.03418	75.3
81.07054	65.7
83.01323	1.3
83.04977	12.2
83.08617	20.9
85.02904	3.6
85.06525	5.5
86.09701	2.1
91.05479	60.0
92.05814	1.8
93.07045	42.4
95.04408	1.0
95.04967	28.4
95.08604	26.3
97.02884	3.9
97.06535	7.0
97.10165	4.7
99.04459	2.9
99.08084	2.7
103.05504	1.7
105.07025	50.0
106.07362	1.4
107.04940	13.4
107.08589	38.5
108.08955	1.3
109.02859	2.6
109.06505	9.2
109.10155	52.2
110.10501	1.5
111.04442	4.0
111.08091	9.0
113.06002	1.7
115.05456	2.9
115.07566	1.7
117.07002	11.6
119.04964	1.8
119.08571	21.2
120.08891	1.5
121.06497	9.0
121.10141	14.7
123.04408	3.0
123.08057	7.1
123.11674	6.7
125.05989	1.7
125.09604	4.0
127.07479	2.3
128.06215	2.8
129.07002	11.8
131.08569	16.5
131.33824	1.3
133.06503	7.3
133.10121	64.8
134.10500	1.7
134.14743	1.1
135.08035	7.9
135.11702	7.4
137.06018	2.9
137.09633	5.1
141.07013	1.6
142.07780	3.7
143.08563	7.2
145.06474	2.0
145.10129	10.1
147.08035	7.2
147.11693	9.5
149.09621	9.4
151.07605	1.7
151.11176	27.1
155.08473	1.7
157.06485	1.8
157.10117	8.0
159.08087	1.6
159.11700	4.3
161.09573	7.2
161.13252	2.9
163.07600	1.5
163.11147	6.2
165.12814	1.5
169.12218	4.7
171.11707	3.3
173.09587	2.3
173.13368	1.5
175.11208	8.9
177.09102	1.7
177.12733	1.7
179.10680	3.2
181.10097	1.4
181.12245	2.0
185.09650	1.6
185.13229	2.6
187.11214	2.0
187.14854	1.3
189.11160	2.6
193.12242	20.3
195.11678	1.6
201.12859	1.2
205.12236	2.1
209.11655	1.8
215.12823	2.7
217.16042	1.1
223.13263	3.0
225.14854	1.6
227.12752	3.9
227.17999	1.3
229.14365	4.6
230.43605	1.2
231.17613	1.2
233.15323	1.5
245.19012	4.3
249.14966	1.8
251.12732	2.1
253.14340	100.0
254.14687	5.8
255.17343	1.3
263.16425	1.5
263.20163	3.3
267.15909	52.0
268.16293	3.0
269.17380	1.5
273.18460	18.7
279.22977	1.3
283.15359	7.1
287.20020	9.1
291.19556	20.7
292.19714	1.5
301.16824	1.2
309.20670	2.0
325.21408	1.3
347.22150	4.1
351.03061	1.2
365.23257	29.5
366.23438	1.7
371.21802	1.5
389.23010	3.4
437.25342	4.5
445.25833	16.0
446.25922	2.3
447.29044	1.2
461.25165	1.3
463.26807	21.8
464.27335	2.6
465.29694	3.1
477.29010	1.5
483.31052	2.7
539.33557	13.8
540.34222	1.8
557.34723	70.5
558.34930	10.2
573.36041	1.2
575.35468	3.2
592.24469	1.2
607.35156	2.1
805.38715	1.6
810.73370	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	27.7
57.07067	2.1
59.04997	5.2
61.02917	5.7
65.03937	4.8
67.05502	100.0
68.05838	1.6
69.03421	8.4
69.07065	18.6
70.57327	5.1
71.01351	2.4
71.04989	8.1
73.02917	4.0
76.78984	1.5
79.05488	51.6
81.03413	76.0
81.06569	3.0
81.07053	60.1
83.04981	26.1
83.05444	2.5
83.08617	32.5
84.29275	1.3
85.02900	33.5
85.06544	4.2
87.04465	6.9
91.05476	54.3
92.05786	1.5
93.07037	32.0
95.04964	33.1
95.08607	19.2
97.02885	6.3
97.06540	8.9
97.10162	21.5
98.23343	1.5
99.08086	1.8
103.05473	2.8
105.04580	1.6
105.07027	32.5
107.04946	13.7
107.08588	21.0
107.92795	1.3
109.06503	7.0
109.10150	63.7
109.10902	3.2
110.10459	2.3
111.04445	4.2
111.08091	15.8
113.06004	2.0
115.05443	2.3
117.07014	7.9
119.08574	34.9
120.08897	1.5
121.06501	3.0
121.10141	14.0
123.08070	5.4
125.05907	1.7
125.09621	14.0
128.06248	1.8
129.05475	4.4
129.07010	14.0
130.07213	1.4
131.08548	12.6
133.06487	4.3
133.10130	17.4
134.62361	1.5
135.08080	2.2
135.11668	6.6
137.09602	7.1
142.07623	2.2
145.10112	6.7
147.08020	5.4
147.11664	21.5
149.09633	5.2
151.11208	3.2
153.12753	4.0
155.10638	4.4
157.08771	2.2
157.10094	15.9
163.11165	10.2
165.12784	2.4
173.11749	16.7
175.11183	18.2
181.12245	2.6
187.11285	1.9
191.10663	2.1
193.12234	59.5
194.12534	2.9
199.13261	6.5
209.11761	5.8
211.13287	73.1
212.13736	1.9
217.14510	1.4
227.12660	7.1
229.14336	49.1
253.14348	2.8
267.15918	23.6
268.16510	1.6
275.20166	2.0
279.02573	1.8
283.15411	5.4
285.16968	45.7
286.17426	2.4
301.16519	9.2
399.23776	18.9
409.26044	1.9
421.25763	10.7
439.26941	35.7
440.27576	2.5
493.27600	4.3
511.29291	8.2
559.35120	1.9
609.36353	26.8
610.36023	3.6
778.48364	1.9
806.33502	2.2
806.47687	37.9
807.40045	2.8
807.46436	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4527
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03180	2.0
57.03437	22.4
57.07066	4.0
59.05010	2.3
60.19399	1.3
61.02919	5.5
65.03951	6.5
67.05502	100.0
68.05833	2.2
69.03426	11.5
69.07066	60.8
69.79420	4.2
69.79824	2.5
71.01357	2.6
71.04992	7.8
73.02927	7.7
77.03970	1.4
79.05492	67.8
79.42832	1.1
80.05828	1.5
80.06258	2.1
81.03413	26.3
81.07053	69.6
82.04211	4.8
82.07387	2.8
83.04979	20.7
83.08609	18.3
85.02894	12.2
85.06536	4.0
87.04503	1.5
91.03944	1.9
91.05478	61.2
93.07039	51.7
94.07361	1.7
94.07887	1.4
95.04960	26.6
95.08604	41.4
96.05801	1.3
97.02858	8.2
97.06525	23.8
97.10159	20.0
98.07308	5.6
99.04467	2.6
99.08110	2.1
103.05469	2.9
105.04533	3.4
105.07027	40.5
107.04953	18.5
107.08590	35.1
108.08852	1.5
109.02874	2.7
109.06512	8.4
109.10154	41.9
110.10510	1.7
110.74870	1.1
111.04449	3.2
111.08094	9.6
113.05995	1.4
115.05456	3.0
116.04689	9.1
117.07026	20.6
119.08568	38.0
121.06504	7.0
121.10138	16.8
123.04424	1.8
123.08055	9.6
123.11695	3.6
125.06021	1.6
125.09626	20.8
125.22612	1.2
127.03938	2.7
127.11203	1.8
128.06212	2.5
129.05478	25.4
129.06943	10.9
130.07780	2.2
131.08557	21.6
133.06514	3.6
133.10126	26.4
135.08075	6.8
135.11690	12.4
137.05908	1.5
137.09599	13.4
139.11159	2.2
141.06969	3.7
142.07774	1.3
143.07047	6.4
143.08563	5.8
143.10699	2.1
145.06451	1.6
145.10124	17.2
146.10858	1.4
147.08073	5.1
147.11671	12.3
149.09613	22.3
149.13258	3.8
151.11195	5.3
153.09103	2.2
155.08528	2.7
155.10678	3.5
157.08611	10.8
157.10136	8.3
158.05684	1.7
159.11687	9.5
161.09628	3.5
161.13307	6.6
163.11185	14.6
164.11740	1.5
165.09113	1.9
165.12788	3.0
167.10689	1.4
169.10123	2.9
169.12416	1.5
171.06551	2.3
171.10197	5.3
171.11609	2.7
173.09621	2.6
173.11749	11.6
173.13243	3.6
175.11211	4.6
177.12711	3.1
177.39667	1.2
179.14320	5.2
181.12343	2.1
183.11560	2.1
187.11287	2.5
187.13188	1.2
189.09669	1.1
189.11212	6.9
189.12767	2.3
191.10620	1.5
193.12227	9.2
195.13768	2.2
197.13235	2.3
199.13237	7.3
201.12698	1.4
201.14745	1.4
203.10669	2.0
209.11736	6.2
210.12663	1.8
211.13277	7.9
215.17921	1.7
223.13353	4.0
227.12750	11.4
229.14326	14.9
229.19403	2.0
239.18140	1.5
242.15118	1.8
243.15852	1.8
247.20601	2.7
247.37773	1.2
253.14397	5.6
255.15845	3.5
257.19077	8.4
267.15930	7.1
269.17581	2.2
273.18546	6.8
274.19205	1.9
275.20029	34.0
276.20544	2.3
283.15421	5.1
283.18774	1.6
285.16904	1.8
291.19498	11.5
292.20032	1.4
293.21182	4.4
301.16467	38.9
302.16711	1.8
331.22742	1.7
341.08920	1.3
349.23703	39.6
350.24039	2.1
365.23148	4.2
397.22363	1.7
421.25894	1.4
446.65189	1.6
455.26599	6.8
474.33047	1.3
479.30121	7.3
551.30859	1.4
555.23560	1.3
575.35754	24.2
576.35687	3.0
807.38824	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4891
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05851	1.8
57.03436	25.4
57.07067	3.3
58.80327	1.9
59.05003	2.6
61.02927	3.3
63.19075	1.7
65.03933	4.7
67.05503	79.7
68.05824	2.5
69.03429	12.8
69.07064	33.7
69.42020	11.7
69.60022	2.1
71.04980	11.0
73.02925	2.6
79.05489	70.1
81.03414	100.0
81.07053	93.3
82.03726	3.1
83.04966	16.8
83.08619	32.6
85.02891	10.3
85.06534	6.4
91.05478	71.8
93.03369	1.7
93.07043	64.3
94.07343	2.3
95.04964	37.5
95.08605	37.3
97.02898	6.1
97.06533	19.7
97.10162	14.2
98.23305	3.9
99.08111	3.0
101.96292	2.1
102.16874	2.0
105.07019	54.8
107.04951	21.3
107.08587	44.1
109.02885	4.0
109.06512	12.3
109.10143	24.3
111.04390	4.2
111.08077	13.4
113.09598	2.1
115.05467	4.9
117.07009	21.5
119.04993	2.4
119.08572	42.9
121.06498	8.6
121.10145	24.1
123.04383	3.6
123.08053	10.3
123.11701	6.4
125.09623	19.3
127.03908	2.9
128.06226	5.4
129.06999	17.1
131.08546	26.2
133.06483	7.2
133.07445	2.2
133.10129	31.9
134.10452	2.7
135.08054	8.5
135.11694	17.3
137.05939	3.0
137.09627	8.7
142.07675	3.3
143.08563	6.0
145.06459	4.9
145.10120	17.6
147.08034	7.0
147.11676	20.2
149.05952	2.6
149.09641	12.7
149.13243	11.2
151.11195	8.0
155.08504	4.0
157.10107	16.4
159.08009	3.6
159.11699	15.2
161.09663	5.7
161.13275	5.4
163.11205	11.2
165.12782	3.4
169.10092	2.1
171.11694	6.4
173.09604	2.7
173.11821	3.0
173.13249	5.3
175.11172	14.1
177.12746	5.7
179.10735	2.1
181.10175	2.3
181.12209	3.2
183.11655	4.3
185.13222	4.3
189.11194	6.0
191.10667	3.4
193.12231	25.0
194.12643	2.1
195.11815	2.0
195.13831	5.4
197.13309	3.7
199.14951	3.8
209.11774	5.8
211.13210	6.6
211.14972	2.9
223.13205	4.2
227.12756	14.5
229.14288	9.8
234.82773	2.1
245.13750	2.0
249.14925	3.8
253.14366	7.4
255.15869	13.9
257.19040	5.1
267.15884	79.8
268.16260	4.5
269.17465	30.9
270.17719	3.0
273.18491	5.4
275.20056	20.3
283.15250	4.6
285.17007	3.0
291.16724	2.4
291.19479	13.1
301.16635	2.8
309.16965	2.4
331.22845	2.2
349.23734	19.7
365.23248	3.9
367.24771	5.0
369.24182	6.7
421.25595	5.1
443.28085	9.2
447.27356	24.9
448.27567	3.4
449.30591	4.1
461.28949	93.5
462.29041	9.4
493.31476	8.7
501.31729	2.7
511.28674	3.5
518.64832	1.9
519.33087	2.1
541.35223	38.5
542.35474	5.3
559.36279	15.0
573.37958	2.3
591.39130	2.3
756.82275	2.3
807.38196	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	806.5408
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75372	2.1
57.03437	8.7
57.07079	3.3
65.03934	2.9
67.05505	59.8
69.07053	14.9
69.53505	9.7
69.53914	4.3
79.05489	40.0
81.07057	52.7
83.04982	2.4
83.08627	7.2
84.58534	2.0
85.02898	2.9
91.05488	22.6
93.07038	42.7
95.04967	3.6
95.08605	47.9
97.10146	3.4
98.22598	2.2
105.07021	15.5
107.08572	20.5
109.10158	16.6
111.08061	2.2
113.02376	3.2
117.07023	7.6
119.08597	14.2
121.10143	20.5
123.11697	7.5
129.06996	3.2
131.08559	13.7
133.10107	12.1
135.11710	15.7
137.13200	3.3
141.01825	3.7
145.10104	8.9
147.11710	7.8
149.13260	9.6
159.11693	8.5
161.13213	5.0
163.14835	6.0
171.11705	2.5
173.13283	8.5
175.14795	5.3
186.53947	2.2
201.16452	2.2
208.31160	2.0
243.21075	9.9
259.20557	5.7
261.22101	25.4
317.24789	3.9
333.24149	4.4
335.25781	100.0
336.26141	7.9
337.27344	7.5
595.47351	10.6
613.47845	5.9
674.79779	2.4
806.51111	15.8
807.50836	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	806.5764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	5.3
61.02934	4.8
67.05500	33.6
69.02039	23.1
69.07076	6.1
79.05498	19.3
81.07053	34.5
83.08625	3.6
85.02933	4.6
91.03959	3.2
91.05450	12.2
92.45693	2.6
93.07043	22.5
95.08605	25.2
98.23330	6.2
105.07038	12.3
107.07880	2.6
107.08572	12.6
109.10160	14.8
119.08616	8.2
121.10144	13.2
123.11723	6.2
123.57070	2.6
126.96568	2.9
131.08618	6.5
133.10167	6.9
135.11697	11.4
145.10129	5.9
147.11693	7.4
149.13312	3.9
151.25864	2.7
159.11740	4.9
161.13277	6.0
163.14882	4.7
173.13237	3.2
187.14830	2.8
195.62241	2.5
225.45612	2.4
243.21051	4.4
259.20502	6.9
261.22144	17.7
317.24777	3.5
335.25781	100.0
336.26138	11.5
337.27393	3.9
357.06833	3.3
479.65073	2.8
595.47198	16.1
596.47565	3.3
613.47766	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	807.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.2
59.71159	0.5
61.02910	0.6
63.02377	1.3
65.03924	1.2
67.05498	0.9
68.99796	0.9
69.03426	2.6
69.07062	1.1
71.01325	0.5
71.04982	0.9
73.02912	1.0
79.05499	3.8
81.03443	2.6
81.07064	2.8
85.02902	7.0
89.03913	8.0
91.05490	4.8
92.05756	0.7
93.07018	2.1
94.04179	0.6
95.04982	2.7
95.08599	1.5
97.02871	2.9
97.06493	0.8
98.23343	1.4
99.04462	1.0
103.05469	35.7
104.06308	0.9
104.61225	0.5
105.07036	4.1
107.04269	0.5
107.04960	7.5
107.08583	2.0
109.02871	1.7
109.06517	1.1
109.10155	0.9
111.00750	1.2
115.05412	1.1
117.03379	10.8
117.07005	2.1
118.07313	0.5
119.04951	2.9
119.08572	0.9
121.02861	1.6
121.06500	2.7
121.10131	1.3
122.03646	0.8
123.04438	2.7
123.08067	0.7
123.11683	1.0
127.03875	1.7
129.06990	0.6
131.04926	18.6
131.08551	0.7
132.05681	1.1
133.02850	1.0
133.06494	2.7
133.10130	0.8
135.04410	22.9
135.08043	4.4
136.04785	1.0
137.02353	5.7
137.03403	0.8
137.05972	28.3
138.06262	3.6
139.11192	0.6
141.06967	0.7
143.04936	0.9
143.08598	0.6
145.02849	14.3
145.04881	0.7
145.06500	3.1
145.10115	0.7
147.04387	6.3
147.08156	0.7
147.11688	0.7
148.05084	1.3
149.02309	1.0
149.04852	1.0
149.05980	12.5
150.06268	0.8
151.03899	2.8
151.07542	5.0
152.07838	0.8
153.01820	6.8
153.05432	0.7
155.04861	0.6
157.06541	1.1
159.04440	0.8
159.07965	1.0
161.02321	1.4
161.05974	3.6
162.06339	0.9
163.03902	91.3
163.07532	20.7
164.04254	2.1
164.08328	42.7
165.01842	2.2
165.05444	0.8
165.08937	2.4
167.07030	1.9
173.05975	2.1
175.03897	1.3
175.07539	1.8
177.05505	0.9
177.09105	0.7
179.03291	1.1
179.06963	1.3
180.07785	1.5
181.04956	1.8
181.08568	1.3
183.02893	1.2
187.03860	4.3
187.07585	0.8
188.04628	1.7
189.09070	0.8
191.03419	1.0
191.07062	1.1
191.08620	1.0
193.08604	0.7
195.08046	0.8
201.05479	9.1
203.03410	0.7
205.06535	2.0
205.08405	0.7
207.06555	0.6
213.05489	0.7
219.08096	1.7
220.86736	0.5
221.06081	0.7
223.07344	0.8
225.09033	0.6
229.04915	4.7
233.06010	1.6
237.09036	1.0
238.09741	0.6
239.07024	0.5
241.08549	0.8
247.07819	4.0
249.05487	1.6
250.06267	1.2
251.06981	1.1
251.10495	0.6
257.04507	3.3
262.09695	0.5
263.07138	1.2
263.10315	0.7
264.07794	3.6
265.08661	3.4
266.09131	0.6
267.06522	0.7
267.09903	0.7
271.09442	0.7
272.09985	0.7
274.04791	1.1
275.07095	2.7
277.05051	0.9
277.08527	0.6
279.10196	1.3
281.08145	0.6
283.09628	1.6
284.10245	1.6
285.03949	1.6
285.07803	0.4
285.11169	1.7
286.11569	0.9
291.10123	1.4
292.07428	4.2
294.09109	0.6
295.09650	0.8
296.10120	0.8
297.11234	0.6
298.12070	1.1
299.09085	1.6
299.12189	0.7
303.04977	100.0
304.05270	5.9
306.12054	0.5
307.09729	12.8
308.10104	1.7
309.11127	1.4
310.11737	1.1
311.12717	0.6
313.07111	1.6
315.04938	2.8
323.12781	1.8
324.13132	1.5
325.10715	72.1
326.11096	5.9
329.06433	1.1
329.13913	0.6
341.06583	4.5
343.08038	0.8
343.11804	0.8
359.07602	1.8
371.71005	0.5
415.15579	0.6
416.15292	0.7
447.17999	9.5
448.18375	14.9
449.19080	0.9
465.19229	1.0
465.39648	0.5
466.19406	1.5
480.03363	0.6
487.15854	0.6
505.17032	9.8
506.17300	0.6
567.71094	0.6
613.16815	8.6
614.17017	1.2
795.66370	0.6
807.30042	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03415	0.8
65.03927	1.2
67.01859	0.5
67.05501	1.4
67.73050	0.4
68.99769	0.5
69.03428	2.7
69.62782	1.0
69.63189	1.9
71.04990	0.7
71.29839	0.5
77.03926	0.5
79.05495	4.3
81.03402	2.9
81.07059	1.8
85.02894	1.2
87.70028	0.5
91.05483	4.3
93.07042	1.9
94.04172	0.9
95.04962	1.9
95.08614	1.1
97.02883	1.6
99.04488	0.6
103.05471	6.3
105.07027	8.9
107.04960	3.9
107.08601	1.6
109.02857	1.3
109.06516	1.8
109.10155	0.9
111.04473	0.7
115.05454	9.8
117.07032	3.1
119.04929	1.5
119.08597	1.2
121.06510	1.4
121.10149	1.1
122.03650	1.6
123.04416	1.5
127.03934	1.1
128.06236	0.8
129.07001	1.3
131.04926	6.1
131.08583	0.8
133.06488	6.4
133.10129	0.7
135.04416	1.4
135.08049	1.4
137.05977	32.7
138.06316	0.6
139.03943	0.5
141.06984	0.8
143.04942	2.4
145.06537	3.1
145.10143	0.7
147.04385	0.8
147.08051	1.1
148.05225	1.3
149.05975	5.1
149.09630	0.6
151.03915	14.8
151.05013	1.1
151.07521	3.6
153.01808	0.7
155.04944	1.4
155.08621	0.6
157.06552	1.3
159.04347	0.7
159.08049	0.8
160.05176	0.5
161.05980	52.2
162.06351	1.4
163.07538	9.6
164.08327	6.7
165.07021	0.7
165.09120	2.5
167.07071	0.9
167.08470	1.1
169.10042	0.8
171.08170	0.5
173.05989	4.4
175.07541	11.1
177.05528	3.4
178.07750	1.1
179.07111	1.0
179.08536	5.3
181.04982	1.0
181.06464	1.1
182.07274	0.6
183.04509	0.5
183.07893	0.6
185.05991	1.0
187.07556	1.5
189.05450	0.6
189.09117	1.1
191.07066	3.0
191.08557	1.0
193.10182	1.0
195.08060	2.5
196.08809	1.3
196.18947	0.5
197.06035	0.9
197.09644	1.7
199.07468	1.1
201.05540	2.9
203.07007	11.1
203.08803	0.7
204.07512	0.5
205.06512	0.8
205.08510	0.6
205.10205	0.6
207.08081	5.1
208.08728	0.7
209.09680	0.9
210.06805	0.7
211.07494	1.9
212.04713	0.5
213.05447	0.8
213.09113	0.5
215.07014	4.8
217.08571	4.8
219.08015	1.8
221.09720	0.6
223.07590	3.1
224.08275	4.1
225.09085	5.1
227.06984	1.1
229.08636	0.7
231.08083	0.9
233.07857	0.5
235.07542	12.3
235.09882	0.8
236.08144	1.6
237.05321	0.6
237.09138	1.8
238.09628	0.5
239.07034	0.9
239.10701	5.9
240.07603	1.1
241.04849	0.6
241.08582	0.8
242.09392	0.7
245.07843	0.6
247.07533	0.9
249.09103	1.6
250.06221	0.8
251.07013	2.7
251.10690	2.1
252.07668	2.6
253.08594	3.7
255.06519	0.8
255.10115	1.7
256.07266	1.0
257.07941	0.7
257.11758	1.9
259.07562	0.5
261.09201	0.8
262.09799	0.6
263.10657	1.1
264.07819	1.1
265.08511	3.1
266.09116	0.7
267.10150	13.8
268.07343	6.9
268.10257	0.6
269.08017	1.6
270.08920	2.1
271.09775	0.5
273.11264	0.9
275.06747	0.6
277.08450	1.0
278.09613	0.7
279.10400	2.3
281.08075	0.5
281.11707	1.3
282.08890	1.1
283.09641	34.0
284.10107	2.6
285.11209	100.0
286.11523	6.6
287.12759	6.6
288.13159	0.6
289.08655	1.6
291.10150	1.0
293.07971	1.5
293.11652	1.7
297.11267	6.1
299.09161	1.8
299.12790	5.3
305.11646	0.7
307.09656	1.8
309.11218	4.7
311.09244	0.8
311.12708	1.0
321.11130	3.8
323.12741	1.4
324.09415	0.6
325.10696	28.5
326.10989	2.3
327.08554	0.8
327.12274	11.3
328.12592	0.9
339.12289	11.1
340.12589	1.0
341.10077	0.9
341.13852	8.7
342.14331	0.8
343.11719	0.6
351.12283	1.3
357.13266	2.0
363.12540	0.9
365.13556	1.2
375.12222	0.7
381.13553	0.7
393.13342	1.4
405.13171	1.4
411.14404	0.8
419.15143	0.8
447.17783	0.6
465.15634	0.6
468.89157	0.6
469.14832	1.5
473.15747	1.1
483.16293	0.8
487.16666	3.0
489.17734	0.9
501.17432	2.8
569.21222	0.6
593.19904	0.7
611.22705	6.1
612.23132	1.0
635.21442	2.1
719.24133	0.6
809.39514	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.2
57.63427	0.2
65.03929	0.6
67.01855	0.5
67.05481	0.7
69.03430	1.4
69.07076	0.3
69.44993	0.9
77.03934	0.2
79.05491	2.8
81.03396	0.4
81.07037	1.1
83.04977	0.3
91.05476	2.1
93.03379	0.7
93.07046	0.4
94.04182	0.6
95.04960	0.8
95.08605	0.4
97.02928	0.2
98.23355	0.2
99.04330	0.2
103.05453	1.7
105.03384	0.2
105.07032	9.0
105.07738	0.5
107.04934	1.3
107.08577	0.4
109.02902	0.2
109.06529	1.2
109.10172	0.2
111.04445	0.2
115.05456	10.3
116.05714	0.3
117.07039	0.4
119.08574	0.4
121.02880	0.3
121.10103	0.3
122.03613	1.2
123.04417	0.4
129.07008	0.3
131.04932	0.8
131.08499	0.2
133.06491	5.6
134.06853	0.3
135.04404	0.9
135.08086	0.2
137.05978	19.1
138.06297	0.5
143.04927	2.3
145.06535	0.3
145.10127	0.2
147.04288	0.3
147.07961	0.2
147.11757	0.2
149.05978	1.0
150.06715	0.6
151.03903	9.6
151.04935	0.5
151.07431	0.4
152.04227	0.4
153.05441	0.5
153.06960	0.2
154.07817	0.4
155.08556	0.3
159.11618	0.2
161.05978	43.9
162.06317	1.3
163.03928	0.3
163.07558	0.8
164.08385	0.2
165.06973	0.3
166.07712	0.2
167.07028	0.3
167.08487	0.3
169.10167	0.5
173.05957	0.3
175.07593	0.7
177.05482	0.4
178.07826	1.1
179.08562	4.7
180.09019	0.3
181.06490	0.9
182.07228	0.7
183.08034	0.6
184.07309	0.2
189.06934	0.4
189.09007	0.2
190.07831	0.3
192.05664	0.3
193.10172	0.5
195.08116	0.5
196.08818	2.1
197.05916	0.3
197.09639	1.4
199.07625	0.3
203.07062	0.6
206.07184	0.2
207.08051	5.0
208.08720	0.5
209.06012	0.4
209.09657	0.3
210.06841	0.4
211.07552	1.0
211.11203	0.4
213.09042	0.2
221.09631	0.6
223.07411	0.2
224.08296	4.6
225.09081	4.5
227.07051	0.5
227.12869	0.2
235.07535	10.8
236.08022	0.7
237.05420	0.3
237.09251	0.3
239.06961	0.3
239.10648	5.7
241.08624	0.3
242.09416	0.5
243.10184	0.4
249.09105	0.8
252.07809	3.1
253.08600	2.9
254.09250	0.4
255.06522	0.7
256.07278	0.6
257.11737	1.4
267.10159	13.5
268.10480	0.6
270.08829	1.5
285.11203	100.0
286.11557	6.3
325.10840	0.3
430.10522	0.2
720.86108	0.2
809.41913	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.4685
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	22.3
57.07074	4.8
59.04997	2.2
61.02916	5.1
65.03944	6.7
67.05502	100.0
68.05821	2.5
69.03429	13.2
69.07064	42.8
71.05000	11.7
71.32816	2.6
73.02916	4.2
75.25259	1.6
79.05489	62.7
80.05801	2.4
81.03414	59.3
81.07053	92.1
82.04203	2.2
82.07420	2.3
83.04976	24.5
83.08621	28.3
83.39153	1.8
85.02906	18.7
85.06542	6.5
91.03955	2.8
91.05473	68.9
93.07040	65.5
94.07374	1.9
95.04970	31.9
95.08601	42.9
96.05302	2.0
96.08945	2.1
97.02905	8.1
97.06528	20.5
97.10150	16.3
99.04457	3.2
99.08134	3.1
103.05463	4.8
105.07027	48.9
107.04954	18.4
107.08595	34.0
109.02925	3.8
109.06521	15.6
109.10149	41.3
111.04447	4.6
111.08079	16.9
115.05489	3.6
116.04726	5.6
117.07018	16.6
119.08568	36.8
121.06505	7.0
121.10126	25.3
123.04347	2.6
123.08051	8.7
123.11674	9.3
125.09638	15.6
127.03932	2.9
127.07510	2.7
129.05473	18.3
129.06953	12.8
131.04874	2.1
131.08578	24.4
133.06496	5.5
133.10126	34.2
135.08093	5.4
135.11691	12.1
137.06006	8.3
137.09587	15.6
137.13225	2.2
139.07535	2.0
139.11188	3.0
142.07816	2.5
143.07057	4.2
143.08556	3.9
145.06523	3.5
145.10124	17.2
147.04471	2.3
147.08087	4.9
147.11681	20.6
149.09610	18.7
149.13268	10.9
151.03928	3.2
151.07515	3.6
151.11183	4.7
153.01810	5.1
153.12691	2.2
155.10703	3.7
157.08769	3.5
157.10141	15.5
159.08047	2.1
159.11690	16.0
161.05933	2.9
161.09662	3.8
161.13232	3.6
163.07474	1.9
163.11186	14.6
165.09120	4.4
165.12755	2.9
167.07069	3.5
169.10107	2.9
171.10205	3.0
171.11705	4.8
173.11755	8.1
173.13155	3.5
175.11163	12.9
177.09271	1.6
177.12750	5.3
179.14363	3.8
181.12184	3.2
183.11765	2.8
184.07399	2.4
185.13322	1.7
187.14830	1.9
189.09554	2.1
189.11250	7.4
191.10713	2.8
193.12253	38.4
195.13872	5.3
199.13303	4.8
201.09090	2.3
209.11795	4.2
211.13268	43.2
212.13579	3.3
221.08163	1.9
223.13260	2.4
223.20595	2.6
227.12827	11.7
229.14360	12.8
241.21581	4.9
257.19022	7.1
267.15881	21.4
268.16055	1.9
269.17438	16.6
270.17877	1.8
273.18445	3.5
275.20038	32.3
283.15359	6.0
285.16934	29.2
286.17194	2.0
291.19620	4.8
293.21146	4.8
299.09067	2.8
301.16418	27.0
349.23770	22.3
350.24139	2.4
365.23209	2.6
367.24893	7.2
411.27350	3.2
421.25696	9.4
423.27618	8.3
431.27682	2.7
439.26929	22.8
449.29388	2.3
461.29041	5.3
463.30640	2.3
477.28363	3.5
478.29330	2.0
479.30237	12.1
495.29474	16.5
541.35132	10.9
557.34009	3.5
559.36292	17.9
575.35785	11.6
576.36066	2.9
577.36908	4.7
593.36353	10.1
601.26038	5.5
705.30920	2.0
712.29724	5.8
808.41449	2.5
809.36548	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	808.5554
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	18.1
57.07063	8.5
60.20018	2.7
65.03931	6.4
67.05502	100.0
69.07069	31.5
70.47308	3.2
70.47615	4.2
71.08626	3.8
71.59712	2.6
73.02930	3.1
79.05486	50.0
81.07050	97.4
82.07387	2.5
83.08621	21.9
85.02904	7.5
85.06520	4.5
91.05472	27.7
91.54157	2.6
93.06448	2.9
93.07040	58.4
95.01311	5.9
95.04964	3.0
95.08599	74.8
97.02914	2.9
97.06510	6.6
97.10175	9.0
98.09681	11.8
105.07016	19.9
107.08579	26.7
109.10155	32.7
111.08006	2.9
111.11733	3.2
117.07027	6.8
119.08566	19.1
121.10141	28.4
123.11695	16.9
131.08528	11.3
133.10141	16.5
135.11687	20.4
137.13226	6.6
141.01840	4.6
145.10129	7.8
147.11642	11.6
149.13254	10.7
159.11674	5.8
159.31458	2.3
161.13293	8.5
163.14851	7.2
173.13263	8.2
175.14764	5.1
196.07343	8.5
241.19576	3.1
243.21066	7.9
245.22687	2.8
259.20477	5.3
261.22104	25.5
263.23651	9.3
287.81107	2.4
317.24719	4.4
333.07639	2.4
333.24216	2.8
335.25775	81.0
336.26031	7.2
337.23239	4.9
337.27328	89.8
338.27661	6.2
348.17123	2.6
375.56714	2.8
523.45624	3.5
597.48651	32.4
598.48785	4.1
615.49847	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	808.5559
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	14.5
57.07057	7.2
62.89914	6.7
67.05508	100.0
69.03450	8.3
69.07059	33.3
69.13004	22.6
69.13424	36.3
71.04993	10.3
79.05495	88.7
81.03401	7.7
81.07054	84.3
83.05004	10.5
85.06554	6.6
86.56993	7.4
91.05482	80.4
93.07047	99.1
95.04964	8.1
95.08597	67.6
98.23383	12.2
98.45084	7.0
105.07034	73.1
107.08597	56.9
109.10157	27.8
117.07036	20.5
119.08566	65.2
121.10161	40.1
123.11677	8.8
129.07004	14.7
131.08562	36.4
133.10124	54.8
135.11679	28.7
145.10132	25.6
146.60962	6.4
147.11714	36.7
149.13274	12.5
157.10155	8.3
159.11708	29.8
161.13283	28.9
163.14781	8.1
169.58151	5.9
171.11661	8.6
173.13301	19.5
174.25958	6.6
178.07832	6.8
185.13254	7.3
187.14925	7.9
193.08459	7.1
236.14844	13.3
241.19499	14.2
259.20593	50.7
261.22192	13.9
283.15543	9.8
333.24335	37.5
334.24911	7.9
335.25818	57.1
337.27097	8.3
339.29184	10.5
371.93246	7.1
464.41980	7.3
496.29321	6.4
593.44983	7.5
611.46552	37.8
808.58850	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	808.5561
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	21.2
57.03688	4.9
65.03926	6.4
67.05504	96.9
67.25023	4.4
69.03430	5.7
69.07067	24.4
70.67876	14.2
71.75735	5.0
79.05491	77.6
80.05814	5.0
81.07048	100.0
83.04992	5.4
83.08612	21.1
91.05474	50.5
93.07034	80.1
94.07385	6.4
95.04981	5.5
95.08598	75.5
96.28455	5.9
97.06538	8.8
98.09697	14.6
99.08086	8.4
103.34209	5.2
105.07034	43.5
107.08571	41.2
109.10156	29.5
114.33039	5.2
115.05486	6.0
117.07029	11.9
119.08563	34.1
121.10123	32.9
131.08548	28.7
133.10139	28.7
135.11703	25.8
143.08601	6.0
145.10141	24.9
147.11682	18.8
149.13278	12.3
159.11717	7.7
161.13255	12.7
163.14772	5.8
173.13257	6.9
184.07414	6.3
187.14787	11.0
196.07375	17.6
225.92799	5.9
241.19669	8.0
259.20517	23.1
261.21930	6.4
277.21603	15.3
333.24109	10.3
335.25784	97.8
351.25107	27.6
351.28891	13.4
357.13354	6.1
399.17020	5.4
611.47137	18.7
808.52277	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	809.4299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.3
59.04983	0.6
61.02924	4.8
67.05504	5.4
69.03423	3.4
69.07069	1.7
71.04991	2.2
71.17764	0.4
73.02920	4.3
79.05494	4.6
81.03415	5.1
81.07056	5.7
83.04980	1.4
83.08623	1.7
85.02897	6.7
85.06558	0.4
91.03939	2.9
91.05479	5.9
93.07038	3.7
95.04970	2.4
95.08607	3.3
97.02887	4.6
97.06513	0.6
97.10155	0.6
98.22527	0.9
99.04472	0.9
101.02394	1.7
105.07035	4.3
105.50699	0.6
107.04970	1.5
107.08577	2.9
109.02872	1.0
109.06532	1.3
109.10158	2.3
111.08109	1.0
117.07019	0.8
119.08585	2.2
121.06615	0.5
121.10108	2.4
123.08101	0.8
127.03946	1.4
129.07033	1.5
131.08620	2.4
133.10117	3.2
135.08057	0.7
135.11723	0.9
145.10167	0.7
147.11737	1.8
149.09604	1.5
151.11220	0.6
157.10126	1.7
159.11757	0.6
163.11110	0.7
165.12842	0.6
173.11827	0.7
175.11237	1.5
185.04234	0.8
193.12202	2.4
197.15370	0.7
203.05338	0.6
229.14392	0.8
236.14880	0.7
243.08325	3.8
267.16144	0.9
273.18631	0.8
283.15305	2.9
301.09009	0.8
313.17767	1.1
331.18924	1.7
339.17770	0.9
374.33267	0.5
381.19156	0.5
451.19394	1.3
467.18845	0.9
469.20563	0.6
501.16150	1.0
501.23087	14.3
502.23502	1.2
531.25873	2.9
532.26068	0.5
537.66815	0.5
549.26385	3.9
573.25085	1.6
639.29761	6.8
697.34735	0.8
711.35291	3.4
739.33551	0.5
740.36328	0.9
791.41742	12.5
792.41321	2.5
809.42682	100.0
810.43097	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	809.4289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.3
59.04998	1.0
61.02926	6.2
65.03954	0.5
67.05504	5.0
68.05846	0.5
69.03432	4.0
69.07018	7.7
71.01347	0.6
71.04996	1.7
73.02911	3.2
79.05490	5.6
81.03418	5.2
81.07059	4.9
83.04990	2.1
83.08630	1.5
85.02898	4.4
85.06539	0.6
91.03956	2.1
91.05487	4.4
91.06010	0.7
93.07040	4.1
95.04974	2.2
95.08613	2.1
97.02886	4.6
97.06525	0.7
97.10181	2.1
99.04462	0.8
101.02405	1.8
103.03941	0.6
105.07009	2.9
107.04975	0.8
107.08607	2.5
109.02888	1.0
109.10149	2.1
111.08113	1.0
112.64828	0.5
117.07052	0.7
119.08608	1.7
121.06551	0.6
121.10142	2.9
123.08096	0.7
125.09641	1.9
127.03922	1.0
129.05396	0.5
129.07045	0.8
131.08598	1.8
133.06557	0.5
133.10146	2.3
135.11707	0.6
147.08054	0.6
147.11736	1.6
149.09659	1.4
157.10242	1.1
165.12961	0.6
175.11198	1.2
184.07446	0.5
193.12289	1.0
203.05411	0.6
206.09714	0.4
211.13370	0.6
223.13373	1.6
225.14972	1.2
225.61354	0.5
229.14415	0.5
243.08392	4.4
283.15195	2.8
291.19641	1.6
301.08969	0.5
301.17859	0.4
315.10590	0.5
331.18817	1.0
339.17862	0.8
387.21844	0.6
451.19312	0.5
467.19186	0.5
471.16882	0.5
501.22998	12.2
502.23584	0.9
509.50696	0.5
549.26624	6.6
550.27106	1.1
573.25336	0.5
626.27655	0.6
639.30121	1.7
647.37549	0.8
723.29865	2.7
809.42816	100.0
810.43207	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	810.405
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35327	0.1
57.03440	0.1
65.03947	0.4
67.05500	0.3
68.35176	0.1
69.03416	0.2
69.24854	0.2
77.03934	0.3
78.04742	0.2
79.05489	4.3
81.07044	0.3
83.08593	0.1
86.09718	0.3
91.05474	2.9
93.07034	0.6
95.04978	2.0
95.08595	0.2
98.22486	0.3
103.05468	4.5
103.06152	0.2
105.04507	0.4
105.07028	5.8
105.07729	0.4
106.04176	0.2
107.04949	44.7
107.08595	0.9
108.05268	1.0
109.06527	0.2
109.10184	0.2
111.08080	0.1
115.05447	3.2
117.07030	1.5
119.04916	0.4
119.08546	0.2
120.05728	1.1
121.06480	0.5
122.03617	0.2
123.04447	0.8
124.05252	0.9
125.06033	0.8
131.04913	0.5
133.02910	0.2
133.06487	0.7
134.07207	0.2
135.04367	0.2
135.08047	12.5
136.08368	0.5
137.05975	0.6
139.03906	0.4
143.08536	0.5
145.06543	0.3
145.07614	1.3
145.10072	0.5
147.04408	0.6
148.05197	0.4
149.05984	0.2
151.03870	0.4
151.07515	0.2
152.04701	0.3
152.08311	0.2
154.06241	3.6
155.08470	0.3
158.07286	0.5
161.05992	0.4
163.07536	20.1
164.07988	0.6
165.05492	0.6
167.07030	23.0
168.07330	0.8
173.09624	1.1
178.06230	0.5
180.07788	4.0
180.09264	0.3
181.08580	1.3
184.07303	0.4
192.15994	0.2
193.08543	0.6
194.09125	0.2
195.10155	100.0
196.10490	4.2
201.09074	1.6
203.10716	0.3
219.10132	0.3
233.11719	1.6
235.13379	1.3
251.12756	0.8
387.17975	1.8
388.18457	0.2
389.19452	0.6
522.90619	0.2
789.67181	0.2
810.49432	0.2
811.55585	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	810.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
59.50196	0.4
59.60929	0.3
59.83997	0.4
67.05487	0.9
69.03437	0.5
75.13758	0.4
78.04690	0.7
79.05495	4.4
81.07047	1.4
83.08607	0.5
91.05482	4.2
93.07033	1.0
95.04969	0.8
95.08586	0.8
103.05466	3.4
104.06247	0.5
105.07024	19.3
106.04173	0.6
106.07431	0.5
107.04948	10.0
107.08584	1.2
109.06477	0.7
109.10186	0.5
115.05459	3.2
117.07023	1.6
118.04166	1.5
119.04945	0.9
119.08585	0.9
120.05687	0.9
121.06516	2.8
122.07318	0.6
123.04397	1.8
123.11745	0.5
124.05203	1.5
131.04907	1.4
132.05656	0.8
133.06487	15.7
134.07249	0.5
135.04442	0.8
135.08067	6.3
135.11646	0.6
137.05954	4.8
143.04951	0.7
145.06482	0.5
147.04340	0.9
147.08037	5.6
148.05156	1.1
149.05940	2.7
149.09576	0.8
150.06749	4.8
151.03880	0.6
151.07497	1.1
152.04677	0.8
154.06230	0.5
161.05980	6.5
161.09613	0.6
163.06187	0.5
163.07539	8.4
165.05450	1.2
165.09113	11.2
166.09364	0.9
167.07030	38.3
168.07387	1.4
172.08829	0.6
173.91977	0.5
175.07523	2.0
177.05421	0.8
177.09068	3.3
178.06210	1.0
178.09869	9.6
179.10468	0.5
180.07860	0.9
181.08578	0.8
184.07289	0.7
188.08348	0.6
190.09877	0.9
191.06879	0.9
192.07805	5.3
193.08589	100.0
194.09056	5.5
195.10159	19.6
195.11652	0.4
196.10464	1.1
206.09419	0.9
207.10220	2.4
207.11861	0.5
221.11722	25.0
222.12091	0.9
227.13731	0.4
233.11678	2.2
240.41496	0.5
264.69659	0.5
387.17868	2.3
388.18784	0.6
441.41730	0.5
810.54816	0.7
811.48511	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4084
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	3.7
57.07077	2.2
61.02926	7.6
67.05500	8.2
69.03429	4.7
69.07058	2.2
69.60236	4.7
71.01350	1.3
73.02927	5.8
78.85022	1.2
79.05506	6.2
81.03415	4.0
81.07053	4.6
83.01118	3.3
83.04969	2.1
83.08630	1.8
85.02899	11.5
89.42984	1.4
91.03946	6.7
91.05502	3.5
93.07059	3.5
95.01056	2.2
95.08597	3.0
96.01884	2.0
97.02903	8.7
97.10158	1.3
99.04434	1.2
101.02374	3.7
105.07029	2.4
106.42325	1.2
107.08617	2.9
109.02866	2.0
109.10162	4.5
117.07014	1.9
119.08580	1.6
125.09664	2.2
127.03904	4.1
127.11227	1.8
129.05492	4.3
131.08626	1.3
133.10121	2.5
135.11690	2.4
145.04997	1.3
153.01823	1.4
156.03941	2.0
167.03152	3.2
181.04776	5.0
184.03432	2.4
185.04204	15.4
186.28035	1.2
199.05965	2.2
201.03711	8.2
201.14796	1.9
205.12015	1.9
221.11545	1.4
223.13269	3.5
241.06819	2.0
243.08411	11.6
249.10931	2.6
251.12723	1.9
256.26254	1.2
259.08130	1.9
263.12500	1.9
265.13959	1.5
267.11792	1.5
277.13983	1.9
281.13583	2.6
289.14050	2.4
297.13052	1.4
301.08926	40.9
302.09348	1.3
303.15936	1.5
307.15268	1.7
313.08994	4.1
315.10516	10.1
317.08511	2.4
319.10162	1.4
327.10501	2.9
327.14136	2.3
341.12222	4.3
343.13626	2.8
355.13782	2.1
357.15149	4.9
361.16214	1.9
365.15897	1.8
369.15060	1.9
373.11069	13.5
383.16711	6.6
385.18335	24.9
386.18924	1.7
387.12668	4.7
401.18005	4.4
413.17865	10.4
415.15759	1.7
427.15610	1.8
429.17322	4.0
439.19403	3.9
443.19058	3.6
449.24820	2.9
455.19092	2.9
457.20425	4.7
462.99829	1.5
465.20953	2.9
467.19067	2.0
467.68103	1.4
469.20795	5.8
471.22144	1.5
473.19870	5.4
481.20319	9.2
485.19763	9.2
487.21390	2.0
499.21475	4.0
501.23367	2.1
511.21826	1.9
512.22131	1.8
525.23425	3.7
527.20752	17.5
549.26617	3.0
553.22656	4.4
555.25970	1.5
557.22253	5.7
567.27423	1.9
573.28241	1.9
581.27527	2.0
583.30157	1.8
595.29791	2.1
596.32098	4.4
609.31952	14.3
610.32916	1.9
611.30389	12.7
623.30194	3.7
641.31415	18.5
642.32037	2.9
653.31659	1.8
657.30890	5.1
667.33087	3.6
683.31781	4.4
693.38446	2.8
697.33960	2.3
703.36987	1.7
707.31964	2.9
709.37183	3.1
721.37622	21.7
722.38336	1.9
725.33466	50.0
726.33679	7.6
765.39935	1.8
783.94342	1.4
793.38922	2.2
811.40625	100.0
812.41217	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	811.4437
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.6
59.05014	0.9
61.02929	5.8
65.03915	0.5
67.05501	6.3
69.03426	4.0
69.07065	2.8
69.81064	1.2
69.81478	1.6
70.21993	0.4
71.04979	2.2
73.02928	4.8
75.58938	0.4
79.05490	5.4
81.03415	4.6
81.07048	5.9
81.07432	0.5
83.05005	1.4
83.08658	1.2
83.54346	0.4
85.02900	6.4
85.06567	0.8
86.52505	0.5
87.04501	0.6
91.03968	3.2
91.05479	5.7
93.07047	4.8
93.59877	0.4
94.70869	0.5
95.04962	2.5
95.08610	2.5
97.02898	5.8
97.06527	1.1
98.22652	0.7
99.04476	1.0
100.73120	0.4
101.02412	1.7
102.18364	0.4
103.10484	0.4
103.23224	0.4
105.07015	3.6
107.04987	0.9
107.08578	2.7
108.25734	0.4
109.02895	1.3
109.06532	1.0
109.10143	2.4
110.54958	0.5
111.08103	0.5
115.03987	0.7
117.07054	1.1
119.07836	0.4
119.08537	2.4
121.10144	3.5
123.08107	0.8
127.03944	1.9
129.05486	0.7
129.07053	1.5
131.08609	2.1
133.10126	2.7
135.11777	1.2
137.06013	0.5
145.05109	0.5
145.10208	0.7
147.11714	2.1
148.91266	0.5
149.02480	0.5
149.09592	2.6
151.11253	0.5
157.10220	1.2
159.11708	0.5
175.11264	0.8
178.08676	0.5
184.07439	1.3
185.04314	0.7
193.12335	1.4
201.03883	0.5
203.05293	1.1
205.20462	0.5
211.13261	0.5
217.01398	0.5
225.14978	0.9
243.08409	5.1
259.08014	0.7
267.16003	0.8
283.15118	4.2
301.08972	0.9
333.20520	1.6
339.17908	0.9
373.11438	0.6
389.23145	1.1
413.17981	1.1
416.56812	0.5
439.19702	1.4
453.21240	1.2
469.20807	1.8
485.19791	0.8
501.23047	13.8
502.23596	1.3
549.26617	0.7
551.28265	6.4
551.35822	0.7
552.28552	0.9
573.25873	0.7
641.31512	3.2
683.32281	0.8
713.36865	1.5
721.37628	6.0
722.37915	0.8
747.39093	0.7
765.40131	0.7
766.40674	0.5
811.44440	100.0
812.44843	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	812.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85664	0.1
65.03933	0.3
67.05489	0.2
69.08054	1.2
79.05489	3.2
81.07042	0.3
91.05474	2.3
93.07010	0.3
95.04973	1.6
95.08614	0.2
98.02962	0.1
102.46443	0.1
103.05467	3.4
105.04500	0.4
105.07030	4.0
107.04948	38.0
107.08578	0.7
108.05267	0.9
109.06485	0.2
110.03648	0.2
111.04486	0.2
115.05460	2.5
117.07005	1.2
119.04916	0.2
119.08589	0.2
120.05716	0.9
121.06499	0.5
123.04424	0.5
124.05226	0.9
125.05973	0.5
131.04909	0.5
133.02847	0.2
133.06488	0.8
135.08046	11.8
136.08430	0.2
137.05977	0.5
139.03917	0.4
141.86705	0.1
142.37151	0.1
143.08557	0.3
145.06557	0.3
145.07574	0.8
147.04419	0.6
148.05186	0.5
149.05948	0.2
151.03915	0.4
152.04704	0.3
154.06245	3.2
155.06969	0.2
161.05989	0.5
162.06775	0.2
163.07535	17.9
164.07947	0.6
165.05464	0.5
165.09157	0.2
167.07028	18.2
168.07352	0.6
175.11151	0.3
178.06291	0.4
180.06346	0.3
180.07802	3.4
181.08461	0.6
190.83698	0.1
193.08566	1.1
194.09195	0.2
195.10155	100.0
196.10506	3.6
203.10512	0.4
221.11722	0.6
235.13306	1.7
264.25983	0.2
387.17712	0.2
389.19452	1.4
490.14749	0.2
566.81244	0.2
715.00299	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.42
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.1
65.03938	0.3
67.05497	0.2
68.13535	0.1
69.06143	0.4
69.06573	0.3
77.03944	0.2
77.68254	0.1
78.04714	0.2
79.05488	3.7
81.03406	0.1
81.07043	0.2
91.05473	2.1
93.03413	0.1
93.07028	0.3
95.04963	1.5
95.08606	0.1
103.05464	3.5
104.73795	0.1
105.04498	0.3
105.07022	4.4
106.04156	0.1
107.04946	37.4
107.08580	0.6
108.05267	0.8
109.06519	0.1
110.03648	0.2
111.04436	0.2
115.05444	2.6
116.06281	0.1
117.07003	1.2
119.04913	0.3
119.08591	0.1
120.05705	1.0
121.06496	0.5
123.04404	0.6
124.05219	0.8
125.05994	0.7
128.06187	0.1
131.04936	0.6
133.02774	0.1
133.06483	0.8
134.03525	0.1
135.08043	11.3
136.08392	0.3
137.05969	0.3
139.03882	0.4
140.04675	0.1
143.08551	0.4
145.06454	0.3
145.07591	0.8
147.04379	0.7
148.05191	0.2
149.05984	0.2
151.03799	0.3
151.07466	0.1
152.04688	0.3
152.08287	0.1
153.05550	0.1
154.06229	3.4
155.08540	0.1
157.10147	0.1
161.05946	0.3
162.06786	0.2
163.07530	18.2
164.07855	0.8
165.05447	0.5
167.07022	18.9
168.07353	0.6
171.08023	0.2
175.11237	0.1
178.06203	0.5
180.07791	3.7
181.08559	0.5
191.07153	0.1
193.08588	0.8
195.10149	100.0
196.10493	4.2
196.12338	0.1
203.10666	0.3
209.11676	0.1
220.10989	0.1
233.11697	0.1
235.13277	1.6
236.13741	0.1
237.14729	0.1
313.62509	0.1
341.76385	0.1
387.18030	0.1
389.19559	1.4
390.19891	0.1
549.64069	0.1
692.88019	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	813.4903
Annotation	Glabrin C
Peak:m/z	Relative Intensity
69.07064	1.4
69.60931	7.0
75.09258	1.2
92.26902	1.2
102.21263	1.7
110.87119	1.3
157.63594	1.4
164.36073	1.2
170.79175	1.6
184.07466	1.8
320.16760	1.4
535.26385	1.9
632.38904	1.4
756.62457	1.5
760.25879	1.6
813.49060	100.0
814.49518	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	813.5116
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.5
60.08167	1.3
61.02934	5.9
67.05499	7.4
69.03436	3.5
69.07088	1.1
71.05006	1.5
71.54695	0.9
73.02926	5.8
75.14574	0.8
79.05485	4.7
81.03425	1.8
81.07065	7.3
83.08639	1.7
85.02903	6.9
86.09735	2.0
91.03935	4.8
91.05501	4.0
93.07020	6.3
95.05008	1.1
95.08607	4.3
97.02879	4.8
97.10205	1.1
98.22608	1.9
99.04518	0.9
101.02357	2.2
105.07035	2.4
107.08604	4.0
109.06517	0.9
109.10155	1.0
117.07024	1.0
119.08595	3.7
121.10173	3.8
125.00028	1.5
125.06023	0.8
127.03967	1.1
131.08588	1.3
133.10173	1.3
135.11711	1.6
145.04965	0.9
145.10179	1.0
147.11725	1.4
149.13242	1.2
184.07333	11.1
185.07784	1.5
243.08496	2.7
301.08893	1.1
519.29321	11.7
535.28839	5.1
612.67010	0.9
813.51166	100.0
814.51385	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	814.5061
Annotation	Unknow
Peak:m/z	Relative Intensity
67.80756	0.7
70.06600	1.2
71.08633	1.1
71.33209	0.6
81.07030	0.6
86.09701	100.0
87.10048	1.7
91.05455	1.2
91.21835	0.6
93.07051	1.6
95.08618	0.8
98.06054	3.8
98.09708	1.4
103.05468	2.5
105.07008	3.1
107.04951	1.7
112.11252	4.8
113.45889	0.7
116.07095	3.8
119.11696	0.7
120.08094	57.1
121.08447	2.1
125.96427	0.8
131.04918	2.2
146.09589	1.0
154.15889	17.0
157.13365	10.1
166.12259	1.7
167.07034	1.6
169.09743	3.0
184.13359	1.3
185.12828	7.9
187.10841	1.8
188.14322	5.6
193.08626	0.9
194.11899	0.7
195.10182	5.0
197.09187	2.1
199.18028	13.0
200.10718	2.0
215.10278	2.6
225.19589	2.3
227.17555	9.0
229.15532	0.8
233.16428	6.8
243.14926	0.7
253.19135	2.6
255.17050	1.2
257.14914	0.9
261.15955	3.5
263.13855	4.2
267.24261	5.3
275.22241	0.9
291.13394	8.3
295.23856	2.3
298.21265	6.5
301.22757	4.2
307.20154	0.8
310.17624	2.0
317.15268	0.8
328.18704	2.0
329.22165	1.4
331.19861	1.3
340.25922	2.9
359.19934	1.1
362.17227	6.2
366.27823	0.8
374.24353	1.2
383.30164	1.3
404.21692	1.9
411.29663	5.7
420.28787	1.8
423.26099	5.0
430.23511	1.4
441.26968	0.9
465.31287	0.9
472.27771	0.9
475.25363	2.3
496.38641	1.0
499.29535	0.9
517.30212	1.5
524.37805	1.8
533.37244	1.1
536.34436	5.6
543.31885	2.2
554.35345	1.5
558.36438	1.8
570.32324	1.0
585.36261	0.8
588.33783	2.8
589.34436	1.0
612.37207	1.1
628.40009	0.9
649.42865	2.0
656.39954	3.0
667.43597	1.5
671.44257	1.1
673.42584	2.1
683.40973	1.2
701.41937	5.4
769.47961	2.0
786.51306	3.4
796.49255	2.0
814.50653	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	815.5054
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05483	1.7
87.60950	1.8
98.22604	5.7
121.06446	1.7
172.14351	1.7
228.87602	2.1
263.70587	1.8
288.38550	1.9
322.65320	1.9
376.91565	1.9
401.41663	1.8
683.74359	2.0
815.50623	100.0
816.50916	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	817.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	2.9
71.33855	3.0
79.05481	2.2
81.07047	2.8
86.09710	16.5
91.05495	1.9
93.07020	1.7
95.08618	3.7
97.14934	1.6
107.04933	2.1
119.08553	2.0
120.08078	12.0
144.98016	1.8
149.35497	2.1
154.15892	2.0
169.48643	1.6
185.12898	1.7
188.14342	3.6
189.05209	43.2
195.10176	1.9
199.18143	1.9
201.05235	2.3
202.06010	4.0
203.06906	2.3
216.07597	14.0
217.08362	11.0
218.09048	3.5
227.17560	2.1
233.07913	6.9
233.16437	2.2
234.08673	10.5
247.09537	6.1
397.16360	6.7
406.29666	1.7
411.17737	12.6
428.18411	2.5
429.18979	4.4
441.18753	8.2
467.57523	1.9
557.87079	1.7
605.27240	4.4
622.27576	2.2
775.45880	1.9
817.37341	100.0
818.37891	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	817.6029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	4.6
57.07081	4.5
59.04983	2.1
65.03941	3.3
67.05505	90.8
68.05827	2.4
69.02006	9.3
69.03429	4.1
69.07068	37.5
70.07401	1.1
71.04996	6.3
71.08638	2.1
73.06530	1.8
77.03946	1.1
79.05492	55.8
80.05807	0.9
81.07056	100.0
82.07406	2.1
83.04982	9.1
83.08620	35.3
84.30584	0.8
85.06538	7.2
90.23922	0.8
91.05480	31.0
92.05828	0.9
93.07043	52.8
95.04967	5.2
95.08605	80.3
96.08955	1.9
97.06532	9.9
97.10168	43.6
98.10484	1.2
99.08083	3.4
101.09656	0.9
105.04495	1.7
105.07024	23.8
106.07394	1.3
107.04974	2.2
107.08593	45.3
109.06503	4.8
109.10154	48.2
110.10510	1.5
111.08101	6.1
111.11686	2.5
113.09652	1.1
117.07017	12.9
119.08580	21.3
121.06494	3.5
121.10142	40.5
122.10458	1.0
122.14908	0.9
123.08102	5.0
123.11705	17.4
125.09630	32.5
126.09979	0.9
127.11125	1.1
129.07022	3.5
131.08563	19.0
133.06499	1.3
133.10133	20.3
134.10466	1.2
135.08046	6.9
135.11691	27.9
137.05968	1.2
137.09608	3.7
137.13239	6.3
139.07486	0.9
139.11212	5.6
141.06946	1.1
143.08530	4.8
143.10625	1.4
145.10120	23.5
145.11221	1.4
147.08063	1.0
147.11687	17.4
149.09610	9.8
149.13275	11.3
151.11183	3.6
151.14819	1.9
153.07846	1.4
153.09094	21.4
153.10269	1.5
153.12772	2.1
155.08595	1.6
157.10149	6.2
159.11702	14.8
160.12033	0.9
161.09602	2.5
161.13249	12.7
163.11169	5.8
163.14824	4.9
165.12793	2.9
167.08611	1.0
167.10658	3.2
167.14384	1.3
169.10129	2.8
171.10255	1.6
171.11696	6.3
173.09557	1.0
173.11723	4.7
173.13281	10.0
175.11217	2.0
175.14871	4.0
177.12688	5.1
177.16391	2.7
179.14305	2.1
181.10114	1.2
181.12206	1.2
183.11749	2.3
185.13254	3.2
187.13348	1.4
187.14856	5.2
189.11214	19.4
189.12819	1.9
189.16418	1.3
190.11482	0.9
191.14290	2.4
193.15810	1.2
195.11749	1.5
195.13785	1.6
197.13321	1.3
199.14798	1.9
201.16344	2.6
203.12823	1.1
205.15909	1.3
209.13281	1.0
209.15378	1.1
215.16284	1.1
219.17415	0.8
219.21068	0.9
223.17003	1.5
239.18018	1.9
241.19534	2.2
243.21120	11.8
244.21307	0.9
246.26465	0.9
247.20584	2.1
249.18394	0.9
251.23766	1.0
257.19019	2.4
259.20657	1.9
261.19019	1.5
261.22131	28.6
261.24988	1.4
262.22388	1.7
273.18469	0.9
275.20084	9.2
277.21567	2.1
279.23175	85.8
280.23547	5.8
282.84024	0.8
287.19986	1.3
291.19724	1.2
293.21182	8.5
295.22778	1.3
297.24237	52.0
298.24515	4.3
311.22220	1.3
319.22815	1.0
323.22079	1.5
333.24149	1.9
344.55441	0.9
377.28452	1.6
381.31970	1.1
385.30984	1.4
395.29401	5.1
399.32495	2.3
403.32214	1.8
413.30411	11.1
414.30984	1.9
417.33679	3.7
421.33304	0.9
431.31522	41.1
432.31769	4.8
433.33176	1.3
435.34793	5.0
445.32739	1.1
449.32681	24.4
450.32611	2.2
453.35803	2.8
467.33536	3.0
539.45251	5.2
553.42468	2.7
557.45813	8.9
571.43652	6.5
575.46783	9.0
589.44104	2.0
593.46869	1.7
673.51904	1.5
681.54266	1.4
691.53149	4.0
709.53931	19.0
710.53949	2.6
727.55023	39.9
728.55566	8.3
745.44141	1.2
745.56122	16.1
746.55707	2.9
763.57007	5.3
764.57849	1.4
781.58148	9.4
782.57922	1.5
817.48395	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	0.3
69.03423	0.6
69.28313	1.2
69.28722	0.4
78.38577	0.2
79.01849	2.5
79.05499	0.6
81.03416	1.0
81.07055	6.7
95.08601	1.7
97.02863	1.4
107.01317	0.8
109.02866	1.6
119.37881	0.2
125.02338	1.4
127.03916	1.6
131.04878	0.2
137.13257	2.4
143.03386	3.9
153.01820	100.0
153.02852	4.0
154.02150	2.9
159.04402	0.2
171.02881	2.8
181.01376	0.3
183.02840	0.2
197.00690	0.2
205.04898	0.3
215.03412	0.2
217.05058	0.4
233.04419	1.0
237.03935	0.3
243.02797	0.2
261.03934	1.8
279.05002	3.8
297.02618	0.3
297.06021	5.1
310.36035	0.2
315.07150	1.2
383.61340	0.2
449.07098	0.6
467.08179	10.7
468.08386	0.7
660.85626	0.2
791.68774	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07074	3.2
57.77059	1.7
59.04995	3.7
66.85361	1.9
67.05503	7.1
68.99776	4.1
69.03422	4.8
69.07053	5.4
69.33242	4.5
69.33646	11.5
71.04996	4.2
79.05500	6.0
81.07056	7.6
83.01361	2.6
83.04982	2.6
85.06553	2.7
86.09686	2.4
87.04466	3.1
91.05473	7.8
93.07053	8.7
95.04982	4.7
95.08613	8.0
97.02888	2.3
97.06518	6.8
97.10139	2.1
98.23322	4.0
105.07037	8.7
107.04974	2.1
107.08599	6.9
109.06522	2.7
109.10147	2.7
113.02354	9.5
113.05998	2.9
119.08586	7.2
121.06489	4.8
121.10152	11.4
123.08128	3.0
131.08569	5.2
133.10135	14.9
135.08057	4.9
137.02356	4.2
137.06009	2.5
137.09615	15.1
139.03886	3.6
139.11186	7.8
141.05489	3.0
147.08022	3.3
147.11684	4.5
149.06071	2.7
149.09619	7.8
151.11191	2.5
153.05417	4.8
155.03387	79.6
161.09671	2.8
163.07581	4.7
163.11171	3.0
163.14767	2.2
165.05583	2.3
165.09116	3.3
167.03471	4.6
167.06995	3.1
167.10675	4.4
173.09570	3.2
175.07556	2.6
177.05507	2.1
177.09071	3.1
179.10699	1.9
183.10217	8.4
184.07378	9.1
191.06958	10.9
191.10684	3.1
191.14326	3.5
193.08571	5.2
193.12292	2.7
203.07086	2.3
205.08623	9.7
209.08084	12.1
209.15364	2.8
211.09621	3.7
217.04964	2.3
217.08690	3.9
219.10123	5.0
219.13676	2.9
223.09676	7.8
233.11847	3.2
235.13335	5.9
237.11214	8.1
237.14816	22.0
241.12141	2.6
243.10229	4.2
245.08046	3.7
247.09666	2.1
247.13237	3.0
251.16476	2.2
255.10239	2.7
257.11771	3.1
261.11212	2.3
271.10052	2.4
271.13214	4.8
273.11237	2.6
275.12579	2.3
279.16083	3.2
281.11789	2.6
287.12762	2.6
296.28128	2.3
297.11188	10.5
299.12653	3.9
300.13547	2.6
303.12112	2.1
313.27417	2.3
315.12234	6.5
315.15714	2.5
325.14285	3.0
327.16025	3.1
329.17337	3.2
331.11740	3.2
331.15375	3.8
341.17389	5.5
353.13715	4.3
355.19012	4.3
359.18677	9.4
367.15695	4.8
369.16849	3.2
373.16409	11.4
375.94568	2.0
385.16483	8.2
387.17709	4.0
387.22098	3.9
391.17511	35.8
399.17984	2.3
411.21649	8.4
427.21146	3.0
429.22723	100.0
430.22940	9.4
445.22281	4.7
447.80188	2.4
469.22742	2.4
565.23865	4.7
583.24750	3.0
731.34186	10.8
749.34760	6.9
783.36835	3.3
801.38483	23.0
802.38184	4.3
819.39355	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	820.12
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	3.2
68.99776	1.7
69.03433	16.6
70.36060	2.6
71.01347	1.7
71.04984	3.0
73.02900	3.0
79.01855	2.8
81.03424	12.6
83.01341	12.9
85.02906	8.2
85.17630	0.8
87.04463	1.9
95.01328	1.0
97.02889	6.7
99.04459	5.5
101.02367	3.1
107.01334	1.0
109.02881	15.9
111.00811	3.6
113.02386	1.5
115.03924	1.2
123.00774	1.2
125.02379	1.5
127.03020	1.5
127.03918	19.8
139.00261	13.3
140.01039	1.3
141.01849	1.1
143.03389	3.0
145.04958	15.5
147.04367	2.5
153.01834	43.0
154.02106	0.8
157.01276	4.1
163.03905	1.1
166.99815	0.8
169.01328	25.9
171.02924	1.2
171.04361	1.2
174.03114	0.9
175.03880	2.2
185.00827	12.3
186.01640	3.9
186.03067	1.0
187.03909	1.4
189.01897	3.8
191.03485	1.3
199.03908	2.3
201.01846	2.9
203.03384	1.9
204.04231	1.0
207.04597	0.9
209.00803	1.6
213.01808	1.1
213.05531	1.8
214.02451	1.0
215.03351	2.3
217.01357	6.6
218.02101	6.1
219.02872	1.0
221.00830	1.1
223.03935	1.5
229.01343	3.6
231.02902	10.1
232.03651	6.9
241.01303	1.8
241.04993	3.2
243.02893	4.2
245.00850	7.7
247.02385	1.6
251.03354	2.6
253.04953	1.0
255.02795	1.5
257.00824	7.7
258.05374	0.9
259.02405	21.9
260.03149	27.2
261.03937	10.9
267.02875	2.2
269.00690	1.0
269.04462	5.6
270.04752	0.8
271.02307	0.8
273.00290	1.5
275.01834	4.1
276.02661	2.7
277.03497	1.2
279.02863	3.0
283.02338	1.1
285.00372	5.0
285.03473	0.9
286.01102	7.8
287.01926	16.9
287.05328	2.7
288.02115	1.2
295.02301	2.6
297.03848	10.3
303.01410	9.1
305.00876	2.0
307.02466	4.4
309.93378	0.9
311.01862	1.2
312.99689	3.7
313.03146	1.7
315.01306	2.0
316.62805	0.7
323.01929	5.1
325.03394	8.0
326.03934	1.2
327.05145	1.3
328.99359	1.7
329.02994	1.2
335.01846	2.9
337.03458	2.4
341.03033	2.0
342.03506	1.0
343.04453	3.6
351.01480	1.6
352.02057	1.6
353.03012	8.8
354.03110	1.1
357.02435	2.4
363.01477	6.0
365.02881	1.4
369.02338	3.3
371.03943	10.7
379.00830	8.0
380.01639	2.4
381.02414	37.1
382.02686	2.2
383.03943	3.1
391.00763	2.3
397.01791	4.8
398.02243	0.9
399.03552	5.4
407.00317	21.2
408.00681	2.2
409.01917	32.9
409.07349	1.6
410.02191	3.7
425.01328	2.1
426.02191	1.9
427.02985	96.9
428.03250	7.1
434.99872	12.6
436.00244	1.6
437.01520	1.0
444.03253	1.5
445.04004	15.7
446.04367	1.3
453.00903	100.0
454.01199	8.8
465.00851	1.8
471.01953	48.0
472.02554	4.5
483.01605	1.4
489.03030	7.3
507.05157	1.2
517.41040	0.9
561.02954	3.9
579.04022	4.0
596.96173	1.3
597.05096	20.2
598.05212	1.9
615.06055	20.6
616.06244	2.5
633.07172	14.6
634.07135	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	820.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.5
61.02930	1.1
68.99786	0.4
69.03428	5.0
69.42718	1.0
70.11452	0.2
71.04989	1.2
73.02897	0.3
79.01847	2.8
79.43066	0.2
81.03413	4.2
83.01343	3.1
85.02905	5.8
87.00832	0.2
89.82824	0.2
95.01353	0.3
97.02889	14.9
98.03199	0.3
99.04451	2.1
103.33147	0.2
107.01314	1.6
109.02874	4.3
110.03218	0.3
111.00788	0.7
113.02340	0.4
115.03945	0.2
123.00786	0.4
125.01505	0.3
125.02341	3.0
127.03911	8.1
128.94234	0.2
135.00705	0.2
139.00273	2.9
141.01758	0.2
143.03395	4.6
145.04950	7.2
146.05296	0.3
153.01820	100.0
153.02855	4.1
154.02153	2.9
157.01309	0.6
159.04465	0.2
169.01320	3.0
171.02879	18.7
172.03229	0.5
173.02293	0.2
185.00804	2.1
186.09941	0.2
201.01730	0.2
207.02892	0.2
213.01785	0.3
215.03360	0.2
217.01340	0.3
229.01289	0.3
231.02893	0.5
237.03831	0.3
239.03532	0.2
241.01308	0.3
243.02832	0.2
245.00795	0.3
257.00797	1.0
259.02283	0.9
260.03143	0.7
261.04001	0.2
267.02850	0.3
269.00778	0.4
269.04407	0.4
275.01788	0.8
277.03458	1.0
285.00305	0.6
286.01096	0.7
287.01859	2.9
295.02417	0.2
297.06183	3.0
300.99609	0.2
303.01370	2.8
305.00824	1.0
307.02350	0.5
312.99637	0.7
313.03354	0.4
315.07080	10.4
316.07376	0.7
323.01834	1.3
328.99188	0.3
335.01959	0.2
341.03110	0.3
351.01282	0.5
353.02731	0.4
363.01291	0.7
369.02365	0.6
371.04031	0.4
379.00854	2.2
380.01193	0.2
381.02429	1.2
391.00803	0.5
397.01871	0.4
407.00290	4.8
408.00467	0.4
409.01859	0.8
427.02933	1.8
434.99786	3.1
436.00165	0.3
445.04105	0.2
453.00842	6.9
454.01236	0.6
471.01938	16.3
472.02396	1.7
615.06018	0.2
744.07129	0.2
779.51599	0.2
831.58545	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03409	0.4
60.14582	0.2
61.02916	1.1
68.99808	0.4
69.03429	5.0
71.04993	1.3
71.31787	0.2
71.35201	0.2
73.48470	0.2
74.85604	0.2
77.52965	0.2
79.01852	3.5
81.03416	4.2
83.01340	4.0
85.02902	7.3
94.05123	0.2
95.01338	0.3
97.02888	15.0
98.03199	0.6
99.04440	1.7
101.02333	0.2
107.01321	1.8
109.02868	3.8
111.00792	1.3
113.02364	0.6
118.46366	0.2
125.02338	2.7
127.03914	7.6
138.99222	0.2
139.00250	4.5
139.03816	0.3
143.03391	4.9
145.04948	6.6
146.05313	0.3
153.01819	100.0
153.02850	3.9
154.02153	3.2
154.03346	0.3
157.01318	1.2
169.01314	4.3
171.02879	14.8
172.03117	0.4
185.00826	3.9
185.02437	0.2
186.01567	0.2
189.01811	0.3
201.01746	0.3
215.03423	0.5
217.01398	0.5
218.01952	0.3
229.01337	0.3
231.02869	1.3
240.50383	0.2
241.01396	0.7
243.03020	0.3
245.00830	0.6
247.02303	0.4
257.00763	1.6
259.02383	2.0
260.03311	0.5
261.03925	0.8
267.02698	0.6
269.00980	0.3
269.04550	0.4
275.01892	1.0
276.02527	0.3
277.03427	3.1
281.00916	0.3
285.00311	1.0
286.01053	0.8
287.01831	4.2
295.02463	0.7
297.06439	1.8
303.01358	5.0
305.00659	1.4
307.02310	0.6
312.99768	0.8
313.03235	0.4
315.07098	9.7
316.07346	0.4
323.01837	2.3
325.03375	0.5
328.99219	0.4
331.00928	0.3
335.01852	0.3
341.02853	0.3
351.01358	0.7
353.02747	0.4
360.99759	0.3
363.01398	1.3
369.02414	0.5
371.03928	0.5
379.00839	3.2
381.02356	1.6
391.00955	0.8
397.01910	0.7
407.00290	8.7
408.00729	0.6
409.01965	1.2
427.02942	3.5
434.94208	0.4
434.99860	6.3
435.05777	0.4
436.00208	0.9
445.03754	0.7
453.00870	10.7
454.01392	1.3
471.01923	27.7
472.02182	2.8
849.91486	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.5196
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03181	1.1
57.03440	12.0
57.07069	2.4
59.05002	1.6
61.02909	1.9
65.03938	6.1
67.05502	83.6
68.05842	1.4
69.03426	9.9
69.07069	24.8
71.04972	2.0
77.03933	1.1
79.05490	74.5
79.98380	1.1
80.05809	1.4
81.03409	2.2
81.07054	73.5
82.07387	2.6
83.04970	6.8
83.08615	42.2
85.06531	3.9
86.09698	1.6
91.05479	71.3
92.05833	1.4
93.07043	67.6
94.07375	1.6
94.72852	1.0
95.04967	4.2
95.08603	43.4
96.08877	1.5
97.06518	3.3
97.10167	87.8
98.10478	2.2
101.09656	2.2
103.05479	3.3
104.06205	1.2
105.04491	1.7
105.07028	21.7
107.04945	4.2
107.08591	54.8
108.08947	1.7
109.06513	3.8
109.10158	24.0
111.08066	4.5
113.09700	1.5
115.05424	7.2
117.07018	41.2
119.08577	84.9
120.08925	2.5
121.06503	3.5
121.10139	23.1
122.10555	1.1
123.08048	3.3
123.11698	3.7
125.09631	67.5
126.10007	1.5
128.06233	3.0
129.07013	5.4
131.08563	18.0
133.06523	2.5
133.10124	12.3
135.08055	15.0
135.11678	11.2
135.78162	1.2
136.12082	1.3
137.09616	3.1
141.07010	3.0
143.08557	10.5
143.10675	3.5
144.05713	1.4
145.05324	1.7
145.06480	35.5
145.10132	14.0
147.08075	6.6
147.11696	7.6
149.13246	7.9
153.09088	8.3
154.07721	1.2
155.08563	4.5
157.10132	8.7
159.08047	13.8
159.11673	6.0
161.09615	4.7
161.13239	7.1
163.07549	3.9
163.11234	1.1
163.14821	4.5
169.10117	4.9
171.08081	2.0
171.10243	6.2
171.11620	1.9
173.09621	4.2
173.13272	5.9
175.14824	2.5
183.11705	3.3
184.07388	3.8
185.09676	1.7
185.13158	1.4
187.11115	1.7
187.14796	2.4
189.11211	59.3
190.11555	1.5
201.16327	1.9
209.61208	1.0
212.07033	1.1
215.14343	4.7
215.18037	1.2
225.16348	3.0
227.12764	100.0
228.13110	4.3
229.06828	1.5
243.17471	4.3
243.21085	6.7
245.13817	3.8
253.15828	3.6
259.20621	1.4
261.22122	30.9
271.16916	77.3
272.17221	5.1
273.18362	1.2
289.17984	21.4
290.18234	1.5
317.24762	4.3
327.19476	2.4
335.25787	84.1
336.26099	6.3
345.20578	18.8
352.82886	1.2
363.21634	27.1
364.22079	2.3
413.30420	3.0
431.31482	1.8
487.34235	9.1
505.35251	50.9
505.42792	2.4
506.35593	6.5
537.29346	1.2
605.41949	35.1
606.41730	5.7
623.43024	91.9
624.43250	10.9
821.56958	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.5198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	7.1
57.07068	1.1
59.04988	2.1
65.03927	2.8
67.05502	51.7
68.05837	0.7
69.03427	6.5
69.07065	14.9
69.23840	6.1
71.04980	1.8
77.03915	1.1
79.05489	52.1
80.05816	1.0
81.03406	2.4
81.07053	43.0
81.38490	0.9
83.04973	6.5
83.08616	31.1
85.02894	1.2
85.06535	2.4
85.78352	0.6
86.09651	0.9
91.05476	46.1
92.05785	1.2
93.07041	34.8
94.07328	1.0
95.04957	3.4
95.08601	21.7
97.06512	2.2
97.10166	66.9
98.10426	1.1
101.09689	1.1
103.05458	2.1
104.06236	0.8
105.04514	1.3
105.07027	14.2
107.04955	3.1
107.08588	36.1
108.08949	1.3
109.06518	3.4
109.10155	14.5
111.08060	2.7
115.05439	4.6
117.07016	31.5
118.07326	1.1
119.08577	65.4
120.08894	2.8
121.06517	3.4
121.10139	10.3
123.08050	1.8
123.11691	2.1
125.09628	59.1
126.09948	1.2
128.06215	3.0
129.06976	3.4
131.08565	10.7
133.06482	1.4
133.10117	7.2
133.58842	0.8
135.08063	12.5
135.11678	7.7
137.09615	1.2
137.13208	0.8
141.06961	1.4
142.07762	1.4
143.08534	7.1
143.10631	2.4
145.06476	25.5
145.10115	7.9
147.07013	0.7
147.08031	4.5
147.11670	3.5
149.13281	4.7
152.74608	0.7
153.09097	6.0
155.08563	3.5
157.10123	5.0
159.08064	9.4
159.11661	4.1
161.09616	2.4
161.13229	2.2
163.07497	2.6
163.11223	0.8
163.14824	2.1
169.10098	2.1
171.08067	1.1
171.10242	4.1
171.11583	1.4
173.09695	3.5
173.13341	3.2
175.11136	1.0
175.14789	1.2
177.16444	0.9
183.11714	1.7
184.07343	2.2
185.09648	1.0
187.11183	0.8
187.14778	2.1
189.11205	44.4
190.11543	1.5
193.10112	0.9
197.13333	0.9
198.84010	0.7
211.11263	0.9
225.16396	2.3
227.12759	100.0
228.13120	6.4
233.22566	1.0
235.14906	1.7
243.17482	3.9
243.21114	2.9
245.13785	1.1
253.15842	4.4
261.22153	14.6
262.22473	1.7
271.16907	61.2
272.17197	4.3
273.18460	1.0
289.17975	16.3
290.18570	0.8
317.24454	1.6
327.19620	1.5
335.25772	32.0
336.26074	2.2
345.20590	12.1
346.20834	1.2
363.21628	19.0
364.21875	1.3
379.29974	1.0
397.42889	0.7
410.09851	0.9
413.30240	1.2
487.34256	5.8
505.35141	12.8
506.35797	1.2
605.41956	17.5
606.42346	3.8
623.43024	45.8
624.43365	8.3
821.56158	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.5921
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	8.8
66.05482	5.2
67.05495	30.2
69.07070	13.4
79.05475	26.9
81.07030	33.0
83.04386	4.4
84.89976	4.5
91.05515	9.8
93.07030	29.0
95.08604	33.6
98.22594	11.8
103.85663	4.3
105.07034	13.9
107.08593	14.8
109.10181	13.4
117.07042	7.9
119.08548	8.9
121.10149	15.1
123.11710	5.7
131.08543	10.7
133.10185	4.4
135.11697	14.2
139.20709	4.5
147.11644	6.5
149.13315	4.6
173.13255	5.0
229.02248	4.5
261.22101	9.5
319.73392	4.8
333.24396	5.6
335.25812	100.0
336.26016	8.2
347.25815	9.8
405.99365	5.0
595.47156	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	821.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
64.57766	1.3
69.21339	11.2
81.52084	1.6
98.22449	1.6
105.07053	2.2
107.04978	1.4
121.06454	1.7
134.47173	1.6
137.06036	2.7
151.03949	1.8
161.05971	2.3
167.07056	10.6
173.06042	2.3
181.04947	7.2
189.05212	20.3
189.06665	1.8
191.07077	2.0
202.06096	2.8
203.06877	5.1
204.07657	3.5
209.08136	1.7
216.07605	10.0
217.08423	3.7
232.07063	11.7
233.08018	4.2
234.08841	4.2
260.67145	1.7
270.01816	1.6
399.14221	5.0
412.14896	2.0
413.15741	17.9
414.16306	2.6
417.15424	3.0
427.17239	21.2
429.15018	1.6
443.16837	10.2
563.52271	1.6
570.07574	1.6
593.23004	2.0
624.25385	3.5
821.33411	100.0
822.33698	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	822.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	2.5
59.00009	0.7
61.02914	2.2
65.03936	1.5
67.05163	0.8
67.05504	13.3
69.03429	2.4
69.07073	3.9
69.90071	1.3
71.04982	1.7
73.02938	0.6
79.05490	9.1
81.03416	9.6
81.07051	13.3
83.04970	3.0
83.08619	3.8
85.02899	2.8
85.06530	1.0
91.03959	1.0
91.05479	12.8
93.03374	2.8
93.07047	10.0
95.04972	5.1
95.08605	3.9
97.02891	2.2
97.06528	3.5
97.10161	1.7
97.29180	0.7
99.04447	0.9
103.05471	3.0
105.07043	7.5
107.04933	3.1
107.08576	5.6
109.02881	2.0
109.06510	2.0
109.10176	3.6
111.04490	0.9
111.08094	1.4
115.05456	4.0
116.47634	0.5
117.07046	3.6
119.04937	5.8
119.08585	4.0
121.02848	0.7
121.06537	1.0
121.10155	3.6
122.03638	1.0
123.04435	1.4
123.08067	1.9
123.11689	1.2
125.05996	0.8
125.09655	1.6
127.03942	1.4
128.06207	0.8
129.05518	0.6
129.07005	2.1
131.04919	1.8
131.08569	4.4
133.06487	4.6
133.10123	3.8
135.08037	1.7
135.11719	1.7
137.02400	0.7
137.05975	28.9
137.09573	1.1
138.06310	0.8
141.07025	0.6
143.08597	3.0
145.06499	0.7
145.10176	3.1
147.04387	3.0
147.08046	1.5
147.11699	1.4
148.05167	0.7
149.02338	9.8
149.06000	1.5
149.09619	1.4
149.13269	2.9
151.03938	5.5
151.04970	0.7
151.07538	23.0
155.08582	1.3
157.06485	0.8
157.10095	1.6
159.08098	1.0
159.11674	2.5
161.05975	12.4
161.09595	1.0
163.03854	1.4
163.07552	0.9
163.11211	1.2
164.08250	0.6
165.05499	10.2
165.06853	1.0
165.09111	3.8
167.07021	1.4
169.10193	1.2
171.08080	1.7
171.11679	0.8
173.09668	1.0
175.03871	21.1
175.07503	1.5
175.11243	1.0
176.04245	1.4
177.05608	0.6
177.12721	1.1
179.08521	1.2
181.04999	0.6
181.06500	0.8
182.07245	1.3
183.08025	1.7
183.11760	0.5
185.13254	0.8
188.08333	6.0
189.09109	0.7
189.11182	1.1
193.12206	1.3
195.13858	1.8
198.08423	0.6
203.10661	22.4
204.11171	0.9
207.08136	1.3
209.11726	0.7
210.06873	1.6
211.07483	2.6
213.05516	0.9
221.06061	1.6
221.11731	1.0
224.08318	1.4
225.09108	3.4
227.12881	1.2
229.14369	0.7
235.07674	3.0
238.06267	1.1
239.07050	1.0
239.10791	1.6
243.10185	0.6
249.09045	0.9
252.07892	1.4
253.08594	2.4
254.62027	0.6
256.07336	1.4
257.11932	0.7
267.06653	0.5
267.10162	4.3
267.16013	2.8
269.17477	6.5
273.18637	1.0
281.11664	0.9
283.15344	0.8
285.11182	30.0
286.11545	2.4
289.17868	1.1
299.09155	100.0
299.12613	8.9
300.09491	5.6
300.12738	1.0
301.16443	1.4
317.10092	2.1
327.15906	21.1
328.16196	1.0
345.16956	0.6
443.13287	3.6
445.29440	3.6
461.14502	4.6
463.30521	23.3
463.37125	1.2
464.30737	1.9
539.34003	0.6
557.34491	1.8
575.35815	1.6
589.33942	0.7
607.34576	2.6
802.31921	0.7
823.40778	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4478
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	6.3
57.07073	1.4
59.04974	0.5
61.02924	7.4
65.03938	2.1
67.05503	32.9
69.03422	2.6
69.07063	11.2
69.14946	0.4
69.15263	4.2
71.04988	3.5
73.02910	2.4
75.02261	0.4
77.03925	0.6
79.05489	23.4
81.03417	6.5
81.07053	44.1
82.07398	0.8
83.04977	3.7
83.08611	11.2
85.02897	7.4
85.06519	2.6
91.03956	5.1
91.05475	19.3
92.05807	0.6
93.07040	34.3
94.07401	0.7
95.04971	4.7
95.08020	0.9
95.08602	12.6
96.08930	0.5
97.02897	4.8
97.06530	5.9
97.10167	2.0
99.04466	1.0
99.08099	1.5
103.05447	1.2
105.04517	0.8
105.07024	9.2
107.04958	1.5
107.08588	19.7
108.08911	0.5
109.02900	0.9
109.06505	2.4
109.10148	4.6
111.04404	0.4
111.08067	4.1
113.09637	0.5
115.05490	1.3
117.07012	8.2
119.04955	1.2
119.08574	5.3
121.06479	2.2
121.10136	9.8
123.08069	1.3
123.11692	3.0
125.09663	1.5
127.03949	1.2
128.06287	0.6
129.06990	2.7
131.04948	0.7
131.08559	10.8
132.08936	0.5
133.06496	1.2
133.10117	9.6
135.08072	2.2
135.11685	6.0
137.05968	6.5
137.09624	0.8
139.11093	0.6
143.08563	2.1
145.04958	1.3
145.06432	0.8
145.10104	3.3
147.04437	0.7
147.08035	1.0
147.11696	2.3
149.02356	1.4
149.05998	0.5
149.09637	1.3
149.13249	14.4
150.13623	0.7
151.03944	1.1
151.07555	4.6
151.11179	1.0
155.08566	1.9
157.10146	2.0
159.11688	7.0
161.05991	2.7
161.09593	0.6
163.06004	1.4
163.07449	1.0
163.11188	0.6
165.05484	1.8
165.06915	0.7
165.09138	1.5
165.12790	0.5
167.07050	0.5
167.08513	0.5
169.10278	0.5
171.08148	0.6
171.11700	1.4
173.09605	1.0
173.13206	0.8
174.68788	0.6
175.03856	3.8
175.04927	0.4
175.07530	1.3
175.11250	0.7
177.12767	3.1
181.10100	0.5
183.08026	0.7
183.11667	0.9
185.13292	0.9
187.11220	0.6
188.08334	1.3
189.09172	0.5
189.11203	0.8
193.12267	0.5
195.12004	1.0
195.13771	7.2
196.14256	0.6
197.13188	0.7
203.07141	0.6
203.08916	0.6
203.10638	3.7
211.07654	0.6
213.14775	0.9
217.08630	0.5
217.15941	0.5
225.09084	0.7
227.12608	0.8
235.07533	0.8
251.16495	1.7
267.15942	2.1
269.17453	24.2
270.17825	1.6
273.18570	0.8
282.09137	0.7
285.11136	3.6
285.16934	0.7
286.11456	0.5
297.11234	1.8
299.09155	15.2
299.12613	1.6
300.09528	1.4
301.16473	0.7
311.12833	0.6
327.15836	2.7
335.23340	0.5
339.12274	1.6
343.26456	0.7
353.24741	1.9
371.25790	1.8
413.22186	0.7
445.29422	13.9
446.30035	1.3
463.30505	100.0
464.30853	11.2
464.37442	0.5
481.31607	0.9
557.34619	0.7
589.33685	0.8
607.34564	6.2
608.34961	1.3
823.37842	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	6.1
57.07074	1.0
61.02922	4.5
61.72562	0.3
65.03934	1.1
67.05502	35.3
68.05832	1.1
69.03433	1.4
69.07066	13.8
71.04994	2.3
71.08628	0.6
73.02916	1.6
77.03954	0.6
79.05489	20.2
81.03415	2.0
81.07054	46.7
82.07394	0.9
83.04976	3.7
83.08615	8.6
85.02899	4.7
85.06536	2.4
86.67627	0.4
90.79865	0.4
91.03947	2.5
91.05476	10.2
93.07040	35.4
94.07368	1.0
95.04966	3.0
95.08601	11.9
96.08955	0.3
97.02866	2.4
97.06529	6.1
97.10160	1.5
98.06885	0.4
98.22596	0.8
99.04472	0.9
99.08089	1.8
105.04535	0.6
105.07017	4.2
107.04980	0.6
107.08588	19.0
108.08911	0.6
109.02910	0.3
109.06518	1.4
109.10148	1.8
111.08073	5.3
111.11697	0.5
113.05969	0.7
113.09637	0.6
117.07015	4.9
119.08591	1.4
121.06506	0.9
121.10134	12.8
123.11711	1.3
123.40829	0.3
125.06036	0.3
125.09562	0.6
127.03928	1.0
127.07523	0.5
131.08563	5.3
133.10109	5.6
135.08025	1.0
135.11684	4.9
139.07469	0.4
139.11177	1.1
145.04951	0.7
147.11682	0.6
149.09610	0.9
149.13251	19.4
150.13596	0.7
151.11172	0.6
157.10123	0.3
159.11684	8.6
160.12021	0.3
163.06032	0.7
167.14317	0.8
177.12723	3.8
195.13785	6.8
196.14067	0.6
213.14867	1.2
251.16608	0.4
269.17459	51.3
270.17899	2.6
298.29892	0.3
444.59735	0.4
445.29733	0.4
463.30511	100.0
464.30890	9.5
562.90070	0.3
607.34070	0.9
761.42279	0.4
822.46600	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	5.1
57.07080	1.2
59.05004	0.5
59.50760	0.5
61.02928	4.8
65.03938	1.7
67.05506	32.7
68.05836	0.6
69.03424	1.3
69.07068	11.9
69.99179	1.8
71.04996	2.4
71.08603	0.5
71.09241	0.4
73.02914	1.7
79.05495	20.6
80.05850	0.5
81.03438	3.3
81.07058	44.4
82.07398	0.8
82.69675	0.4
83.05000	4.3
83.08618	10.4
85.02905	5.1
85.06537	3.0
86.67599	0.5
87.93269	0.5
91.03953	3.1
91.05482	11.9
92.62877	0.4
93.07047	29.3
94.07371	0.5
95.04991	3.1
95.08609	11.5
97.02869	2.8
97.06535	5.6
97.10171	1.3
99.04440	0.7
99.08107	1.8
105.04520	1.0
105.07053	3.5
107.04962	1.1
107.08595	18.5
109.06518	1.0
109.10158	2.9
111.04416	0.4
111.08096	4.0
111.11711	0.5
113.09639	0.5
117.07039	4.7
119.08577	1.9
121.06548	1.8
121.10139	9.2
123.08059	0.6
123.11716	2.2
124.17619	0.5
125.09620	1.3
127.03928	1.1
131.08569	5.2
133.10141	6.7
135.08075	1.3
135.11685	5.3
145.04982	1.0
145.10117	0.4
147.11667	1.3
149.09590	0.6
149.13260	14.8
151.11200	1.1
159.11684	7.2
163.06029	0.7
163.11205	1.0
177.12755	2.7
195.13812	8.6
209.11710	0.5
213.14816	1.0
227.12791	1.1
229.14275	0.5
239.60043	0.5
251.16525	0.6
267.15826	0.7
269.17490	35.7
270.17880	2.1
283.15424	1.0
301.16623	1.3
413.22052	0.6
445.29337	1.1
463.30536	100.0
464.30832	10.0
540.57874	0.4
607.34875	1.6
608.35614	0.6
808.69604	0.5
822.48212	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03181	1.6
57.03436	23.2
57.07063	5.1
58.06588	3.2
59.05006	8.3
61.02905	4.0
64.44068	1.0
65.03928	3.9
67.05501	100.0
68.05830	2.9
68.55427	1.1
69.03440	8.0
69.07068	17.2
69.24743	8.2
70.06583	2.2
71.01344	1.9
71.04987	6.6
73.02922	7.7
78.46565	1.0
79.05488	39.3
81.03412	28.6
81.07053	40.2
82.03751	1.3
82.04189	3.5
83.04532	1.4
83.04981	18.3
83.08615	21.0
84.02114	1.3
85.02902	17.9
85.06532	4.2
87.04465	6.7
87.34146	1.1
88.07619	4.3
91.03934	1.1
91.05479	25.1
92.28600	1.0
93.07039	26.0
95.01431	1.1
95.04954	17.6
95.08605	20.1
97.02889	10.3
97.06525	9.6
97.10164	28.4
98.07318	3.2
99.04443	2.2
99.08095	2.4
102.09174	3.1
103.03977	1.6
103.05437	1.4
105.04472	1.4
105.07020	13.3
107.04948	9.6
107.08589	22.3
109.02856	2.7
109.06528	4.6
109.10150	66.3
110.10485	3.2
111.04432	3.8
111.08063	7.4
115.05476	1.3
116.04717	9.9
117.07049	6.5
119.08563	14.8
121.06494	3.0
121.10145	8.8
123.08002	6.2
125.05973	1.7
125.09624	27.7
125.62943	1.2
127.03914	2.8
127.11181	1.3
129.05478	25.2
129.07001	3.2
131.08577	7.9
133.06511	1.2
133.10104	6.7
135.08031	3.8
135.11687	8.6
137.06000	1.2
137.09660	5.3
143.07037	4.6
143.10660	3.7
145.10101	8.0
147.08008	2.9
147.11696	3.5
149.02335	11.1
149.09607	3.4
153.12750	4.3
155.08563	1.7
155.10626	6.0
157.08594	12.9
157.09975	2.3
158.05753	2.3
163.11162	12.6
164.11771	1.3
165.12700	1.7
171.06425	1.2
171.10123	3.8
173.09596	2.6
173.11723	19.8
173.13239	1.6
175.11183	3.0
181.12228	3.1
185.08109	1.3
187.09340	1.1
189.11215	4.7
191.10614	5.5
193.04967	5.4
193.12219	6.6
199.09735	1.4
199.13293	14.6
200.14005	2.0
201.14871	1.3
209.11755	9.6
210.12346	2.5
211.13231	2.3
217.14378	1.9
227.12770	12.6
228.23248	9.7
229.14313	47.2
230.14818	2.0
236.14891	8.7
237.07559	1.9
242.15204	1.4
255.15948	2.7
257.13916	1.5
267.15848	6.7
269.17416	2.2
283.15366	10.9
283.18533	2.0
284.16052	1.8
292.19989	2.6
301.16440	42.4
302.16705	2.3
353.23270	1.6
371.24176	5.0
383.24237	9.7
399.23712	13.1
411.27927	1.8
421.25931	2.3
437.25302	2.6
438.26407	1.6
455.26447	15.1
456.26282	1.6
463.83221	1.4
509.27188	2.7
527.28339	4.7
541.33423	3.3
545.29395	2.2
553.33575	3.9
607.35590	1.7
625.35889	9.6
626.35876	2.9
822.36414	8.0
822.51190	10.3
823.47949	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4838
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	18.6
57.07065	2.6
59.04989	5.6
61.02919	2.8
65.03935	3.6
65.56467	1.5
67.05503	100.0
69.03424	8.0
69.06712	2.5
69.07069	41.4
69.56345	9.3
71.01349	2.5
71.04977	11.3
73.02921	1.6
74.55299	1.6
77.03951	1.7
79.05492	57.5
81.03416	86.8
81.07055	60.7
82.03753	1.4
83.04980	15.4
83.08621	25.2
85.02897	5.2
85.06536	6.9
87.04478	3.1
91.05477	59.7
91.06057	2.9
93.03437	1.5
93.07042	50.3
95.04964	35.4
95.08020	2.8
95.08604	39.7
97.02905	8.9
97.06524	11.5
97.10161	12.6
99.04458	3.5
99.08070	1.9
99.93626	1.5
103.05439	3.3
105.07027	43.3
105.39793	1.5
106.07318	1.7
107.04952	19.3
107.08601	29.4
109.06514	9.8
109.10153	43.5
111.04456	4.1
111.08080	11.3
115.05444	3.1
117.07008	15.5
119.04927	4.2
119.08581	31.8
121.06510	9.9
121.10143	19.0
123.04391	1.7
123.08079	7.8
123.11701	4.1
125.09638	13.4
128.06230	1.9
129.05479	2.1
129.06985	14.4
131.04887	2.2
131.08568	22.4
132.23509	1.4
133.06494	6.6
133.10126	19.5
135.08064	5.9
135.11679	10.2
137.05946	1.8
137.09618	10.2
142.07770	4.0
143.08582	6.6
145.06493	4.1
145.10103	14.1
147.08011	5.7
147.11697	14.6
149.09628	17.6
149.13228	3.9
151.11162	2.9
155.08571	3.2
155.10683	4.0
157.10106	13.1
159.08040	2.1
159.11710	6.8
161.09581	2.8
161.13235	3.7
163.11195	13.0
165.12801	3.3
169.10059	3.7
171.10207	1.8
171.11655	3.1
173.09558	2.3
173.11748	10.2
173.13112	2.3
175.11174	11.1
177.12730	2.6
183.11713	2.9
185.09479	1.9
185.13269	3.8
187.11311	2.2
189.08974	1.6
189.11211	5.7
189.12747	2.2
191.10660	3.2
193.12222	29.5
197.13174	2.6
197.15205	1.4
199.13216	2.6
199.14917	1.9
201.12732	1.5
203.14363	1.7
205.12144	1.6
211.13289	5.7
217.15935	1.8
219.13768	2.2
223.13300	2.8
225.14827	4.6
227.12782	10.0
229.14348	37.6
230.14873	2.4
231.17427	1.8
241.14304	2.8
243.16000	3.2
249.14871	4.7
255.15918	3.9
257.18997	3.0
258.60788	1.6
259.15518	2.2
267.15897	73.5
268.16171	2.5
269.17499	4.8
273.14664	1.9
273.18509	3.7
275.20108	15.9
283.15433	3.6
291.19458	5.2
293.21008	2.7
301.21298	1.7
323.64078	1.7
329.21091	4.0
343.22931	1.7
347.22037	2.5
349.23718	18.5
355.22733	2.3
363.21829	2.4
365.23135	3.6
403.25049	1.9
411.25241	1.7
421.25854	23.8
423.27441	1.7
429.26129	1.8
435.27335	5.5
445.29333	3.4
447.27451	19.7
467.31122	2.1
541.35199	26.1
542.35388	5.3
557.34351	2.2
559.35999	6.3
575.35199	1.6
821.58539	1.9
822.48224	11.0
823.48138	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4875
Annotation	Unknow
Peak:m/z	Relative Intensity
61.20885	0.4
67.05543	0.4
69.38548	0.8
69.38962	1.9
79.05540	0.4
81.07066	0.6
95.08657	0.4
98.23284	0.7
149.02396	1.2
181.04988	0.7
193.08635	0.4
195.14915	0.6
200.67918	0.4
207.50725	0.4
209.88283	0.4
232.10957	0.7
327.40881	0.4
353.14218	0.4
385.16760	0.4
618.32861	0.4
732.46619	0.4
794.50519	0.6
822.48779	100.0
823.49109	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	822.509
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.8
58.62168	0.3
59.00221	0.3
59.04999	0.5
67.05510	3.0
69.03446	0.3
69.07076	1.1
69.37531	1.0
69.37936	0.9
79.05485	1.6
81.03426	0.8
81.07061	2.0
83.04989	0.9
83.08630	1.0
85.02890	0.4
86.09718	0.8
91.05482	1.7
93.07059	1.5
95.04978	0.4
95.08617	0.7
97.02931	0.3
97.06548	0.5
97.10192	0.6
101.03588	0.3
107.04991	0.4
107.08625	0.9
109.10181	1.6
117.07024	0.6
119.08639	0.8
121.10102	0.5
125.09660	0.7
131.08603	0.4
135.11754	0.3
145.10136	0.6
149.09639	0.3
158.32001	0.3
163.11197	0.7
164.06848	0.7
173.11798	0.6
181.12315	0.4
193.12354	0.5
195.06557	0.4
207.00032	0.4
209.11902	0.4
221.16345	0.4
229.12424	0.4
229.14470	1.4
233.12721	0.4
283.15512	1.3
292.19946	2.1
301.16629	0.8
326.18460	0.4
334.24829	1.4
346.20978	0.4
405.28143	2.3
406.28784	0.4
421.28033	0.7
437.25580	0.6
439.27057	0.8
447.33258	0.7
455.26514	1.3
460.29163	0.5
471.99698	0.4
474.30579	0.5
481.31583	1.2
509.27606	0.4
516.35345	0.5
518.36975	1.5
534.36328	0.6
552.35364	0.9
568.34424	1.9
578.32056	0.4
594.40448	1.3
607.34991	0.6
647.44348	0.6
665.43610	3.6
666.44446	0.8
672.40448	0.6
675.42773	0.5
681.43176	3.9
682.43689	0.5
691.42023	0.5
720.44482	0.5
736.47540	2.0
737.47192	0.4
748.43781	1.2
776.50403	1.1
794.51282	4.3
795.51495	1.4
804.49988	2.1
805.49915	0.7
822.50946	100.0
823.51520	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	822.509
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.4
57.07081	1.1
58.06617	0.5
59.05010	0.5
61.02930	0.8
65.03951	1.0
67.05502	7.6
69.03445	1.1
69.07064	1.7
69.23435	1.9
69.23863	1.1
70.06590	2.3
71.01365	0.5
71.04993	0.7
73.02412	0.3
73.02922	0.8
79.05487	3.6
81.03413	2.5
81.07053	4.5
83.04963	2.0
83.08620	2.2
85.02918	1.4
85.06549	0.4
86.09735	0.5
87.04489	0.6
88.07628	2.0
91.05473	2.5
93.07047	2.8
95.04990	1.4
95.08605	1.9
97.02879	0.9
97.06530	0.7
97.10170	2.0
102.09160	2.1
105.07029	1.7
107.04968	1.1
107.08555	1.8
108.08958	0.4
109.06563	0.8
109.10152	4.9
111.04450	0.5
111.08097	0.7
116.04700	0.6
117.07057	0.5
118.03898	0.3
119.08572	1.7
121.02889	0.4
121.06552	0.4
121.10159	1.2
123.08055	0.7
123.11643	0.3
125.09615	2.2
129.05525	1.0
131.08548	0.8
133.10172	1.0
135.11725	1.0
137.09630	0.7
143.10632	0.4
145.10117	0.9
147.11716	0.4
149.02342	7.8
149.13277	0.4
150.02701	0.5
153.12785	0.5
155.10735	0.4
157.10071	0.5
163.11182	1.7
164.06779	0.5
173.11774	1.4
175.03951	0.4
180.06252	0.4
181.12396	0.4
191.10732	0.6
193.04968	4.1
193.12286	0.5
194.05301	0.5
199.13394	0.9
209.11765	0.9
227.12872	0.9
228.23196	6.9
229.14313	3.4
229.23459	0.5
237.07639	1.0
250.15085	0.7
257.13571	0.4
267.15976	0.6
275.17337	0.5
283.15317	1.8
291.19720	0.6
292.19958	0.9
301.16483	3.0
308.19791	0.5
334.24750	0.6
350.24112	0.5
368.23193	1.0
381.19104	0.4
385.09329	0.6
385.69345	0.4
397.22141	0.7
399.23911	0.8
403.27078	0.6
421.27875	1.8
422.24304	0.5
437.25562	1.0
439.26953	1.1
455.26550	1.2
463.32214	1.1
481.31625	2.9
491.30710	0.4
510.30362	0.9
534.35608	1.8
552.35284	1.3
553.34656	0.5
568.34772	0.7
577.13080	0.5
579.38135	0.7
594.40173	1.3
607.34808	0.6
610.39471	1.6
621.16144	1.4
623.39148	1.6
625.36298	0.5
632.34631	0.5
647.44641	0.9
663.42255	0.6
665.43469	2.3
681.42828	4.0
682.43427	0.7
688.40057	0.9
691.42151	0.5
708.44580	0.5
720.44348	0.7
723.48029	2.3
736.47382	1.7
737.47351	0.5
748.43451	1.4
776.49915	0.8
794.51239	5.6
795.52179	0.6
804.49231	2.8
822.37408	5.9
822.50873	100.0
823.51361	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	822.5091
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46717	0.7
62.40913	0.7
67.05517	1.5
69.31778	4.1
69.32189	1.0
81.07053	1.3
82.72045	0.7
86.09711	1.1
89.70247	0.7
93.07047	0.9
98.23303	0.9
107.08625	0.7
119.08685	0.7
123.30331	0.7
165.21858	0.7
167.07106	0.8
181.04994	2.6
190.24564	0.7
193.08597	1.2
228.62717	0.8
292.20004	2.4
363.23636	1.1
373.22202	0.7
405.28476	1.5
439.26810	1.3
534.36182	1.5
552.35339	1.5
568.34711	1.2
610.39417	1.7
623.39319	0.9
647.44843	1.6
665.43884	1.7
681.43915	3.4
688.39575	1.2
708.44440	0.9
723.47986	1.9
787.50952	0.9
794.51538	7.9
795.52563	1.5
804.49573	1.7
822.50867	100.0
823.51263	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	822.5355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03230	0.5
57.03440	6.3
57.07065	1.7
59.05011	1.0
61.02920	1.2
64.67242	0.5
65.03933	2.4
67.05503	45.2
68.05833	0.6
69.03430	9.0
69.07067	27.5
69.31207	2.9
69.31608	1.0
71.04986	2.1
71.57854	0.6
72.70158	0.6
77.03904	1.0
79.05492	36.5
80.05845	0.6
81.03413	4.9
81.07056	39.1
83.04986	4.4
83.08624	10.8
83.74483	0.6
85.02905	1.7
85.06527	1.5
89.96633	0.6
91.05048	0.6
91.05477	20.8
93.07043	32.0
95.01327	0.6
95.04963	8.5
95.08604	26.9
95.09221	1.3
97.02896	8.6
97.06533	3.8
97.10168	11.9
99.04431	0.5
99.08073	0.8
99.82557	0.6
102.02251	0.5
105.04520	1.3
105.07030	17.1
107.04934	6.3
107.05606	0.8
107.08595	18.0
109.06541	2.7
109.10152	12.5
111.08073	2.5
115.05431	1.2
117.07030	8.3
119.04933	1.7
119.08582	14.3
121.06503	2.6
121.10146	10.8
123.08076	3.4
123.11727	2.8
125.09629	7.1
128.06223	0.9
129.06996	2.8
130.07764	1.2
131.08559	11.0
133.06505	2.4
133.10139	7.2
134.07208	0.9
135.08052	2.5
135.11667	5.5
137.09607	2.3
137.13278	0.9
139.11223	0.7
143.08556	2.1
145.06508	0.6
145.10115	6.7
147.08023	5.1
147.11726	4.4
149.09595	2.3
149.13246	4.4
151.11185	0.9
153.09105	0.9
153.12971	0.5
155.08568	0.6
155.10719	0.5
157.10120	2.4
159.11713	3.9
161.09612	2.3
161.13214	1.4
162.10403	1.0
163.11186	1.6
163.14798	1.7
165.09106	2.0
169.10167	0.8
171.11641	1.3
173.13240	2.3
175.11159	1.6
175.14769	0.7
177.12729	1.2
177.16455	0.7
181.10036	0.8
185.13196	0.8
187.14856	0.9
189.11221	3.9
189.12756	1.1
190.33533	0.6
193.12241	1.7
201.12833	0.6
203.14421	0.6
205.12270	1.5
209.08101	0.8
211.13257	1.0
223.13275	18.1
227.12750	4.6
227.17943	1.0
243.21034	2.3
244.95981	0.6
245.19034	1.7
249.14908	2.8
255.17467	0.8
261.22147	7.8
263.20093	0.8
267.15973	0.8
273.18481	12.8
291.19540	100.0
292.19922	6.7
317.24741	2.6
335.25793	66.5
336.26270	5.0
347.22141	2.2
365.23218	50.6
366.23596	2.9
527.37073	0.7
545.38147	2.5
551.40771	0.6
557.38599	0.6
607.43170	1.2
625.44598	56.5
626.44873	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	822.5354
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	8.5
57.07068	2.9
59.19212	1.1
61.02914	1.2
65.03933	5.8
66.39371	1.1
67.05502	100.0
68.05827	2.3
68.45711	0.9
69.03422	7.2
69.07066	25.6
71.04994	7.3
77.03888	1.4
79.05489	70.2
80.05840	1.4
81.03424	5.8
81.07053	95.8
82.07433	1.2
83.04975	24.2
83.08622	8.6
85.02910	2.3
85.06541	6.8
86.09721	1.4
91.05475	73.6
92.05798	1.4
93.07038	74.2
94.07388	1.8
95.04967	13.7
95.08601	48.3
96.08918	1.0
97.02900	3.1
97.06519	6.5
97.10169	3.2
99.04446	2.3
99.08098	2.1
101.06006	0.9
103.05499	2.2
105.04531	3.2
105.07026	52.7
107.04939	8.9
107.08589	52.5
108.08850	1.0
109.02915	0.9
109.06520	9.6
109.10149	56.9
110.10477	1.7
111.08072	5.6
113.06010	2.6
115.05471	1.8
117.06255	1.9
117.07005	11.6
119.08572	22.8
121.06487	6.8
121.10135	19.0
123.04470	1.2
123.08080	5.3
123.11694	11.0
125.09641	2.7
127.07523	3.7
128.06239	4.0
129.05547	1.3
129.07021	4.8
129.90015	1.0
130.68736	1.0
131.08557	21.8
133.06529	4.4
133.10124	75.5
134.10449	2.4
135.08054	7.3
135.11682	13.9
137.06017	1.3
137.09633	4.0
137.13336	1.2
139.09947	1.0
142.07716	1.2
143.08546	5.7
145.06520	1.3
145.10130	12.3
147.08075	3.7
147.11679	9.1
149.09567	7.2
149.13251	4.7
151.07541	1.2
151.11163	28.5
155.08589	1.4
157.10147	4.2
159.08072	2.7
159.11674	8.6
161.09622	7.2
161.13307	6.4
162.10211	1.0
163.11172	2.9
163.14879	2.7
165.09164	1.7
169.10094	1.5
169.12193	4.9
169.97386	1.0
171.11696	4.1
173.13283	4.6
175.11217	3.4
175.14891	1.3
177.09114	2.2
177.12802	2.0
179.10674	2.1
183.11664	1.1
184.07263	1.4
185.09628	1.3
185.13286	2.2
187.11237	1.3
187.14696	2.2
189.12756	1.2
195.11734	1.1
209.08113	1.0
211.09674	1.1
213.12889	1.1
215.12819	4.0
217.12354	1.3
227.17876	1.6
243.21158	2.4
245.19064	3.0
251.12837	2.8
253.14333	88.4
254.14717	4.2
255.17322	1.4
259.20584	2.2
261.19391	1.6
261.22125	12.2
263.20041	3.2
273.18478	19.9
274.18765	1.4
275.20062	1.4
291.19534	20.6
292.19888	1.3
309.20706	1.7
317.24841	2.4
333.24176	2.1
335.25775	85.0
336.26205	4.9
347.22195	8.9
347.25916	1.7
365.23190	27.6
366.23642	1.7
457.32947	1.3
513.35645	3.2
529.34875	3.0
531.36810	31.2
532.36987	2.5
607.43787	5.7
625.44574	46.8
626.44794	5.8
822.49225	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5354
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03191	0.9
57.03439	11.9
57.07063	1.5
59.04989	1.1
61.02925	1.4
65.03947	3.5
65.63585	0.5
67.05504	58.3
69.03428	8.3
69.07068	32.9
69.07425	0.8
69.24576	4.3
71.04978	3.0
79.05492	48.3
80.06239	0.6
80.51460	0.6
81.03420	5.5
81.07056	47.9
82.07382	0.9
83.04987	4.7
83.08618	10.9
84.24129	0.6
85.02909	1.5
85.06525	1.5
91.05476	30.5
92.05787	0.9
93.07044	45.2
94.04188	0.7
94.07337	0.8
95.04424	1.0
95.04976	11.0
95.08606	36.3
96.08928	1.2
97.02897	10.3
97.06531	4.1
97.10168	13.3
99.08067	0.7
100.64398	0.6
103.05458	1.2
104.06257	0.6
105.04504	1.8
105.07029	22.2
107.04965	5.9
107.08592	23.6
108.08923	0.7
109.06538	2.9
109.10153	15.8
111.04453	1.3
111.08072	2.5
112.75300	0.6
115.05432	1.0
115.06255	0.6
116.06247	0.6
117.07020	8.7
117.63760	0.5
119.04951	1.5
119.07749	1.1
119.08576	18.0
120.05738	0.8
121.06499	3.7
121.10144	13.6
123.04417	1.0
123.08056	4.0
123.11699	3.7
125.09630	8.0
127.03860	0.6
128.06218	1.1
129.07031	3.7
130.07819	1.1
131.08563	13.9
133.06491	4.4
133.10147	8.9
134.07286	1.3
135.08080	3.1
135.11691	8.7
137.09608	2.6
137.13206	0.9
139.11136	0.8
143.08568	3.1
145.10109	10.3
147.08025	4.3
147.11699	6.0
149.09601	2.9
149.13246	5.1
151.11105	1.4
153.09116	0.9
155.08566	0.7
157.10115	2.2
159.11667	4.8
161.09634	2.2
161.13235	2.8
163.11160	1.6
163.14841	1.6
165.09097	1.2
165.12770	0.9
169.09982	0.7
169.12291	0.9
171.11707	1.6
173.09665	0.6
173.11935	0.8
173.13249	2.9
175.11172	2.1
175.14853	1.3
177.12727	1.5
177.16388	0.8
183.11772	0.7
184.07372	1.4
185.13261	1.1
187.13239	0.6
187.14795	1.4
189.11256	3.8
191.14305	0.7
193.12305	0.9
195.13753	1.2
199.11139	0.7
199.14761	0.9
201.16402	1.1
205.12285	1.6
223.09801	0.8
223.13300	19.0
224.13762	1.0
227.12787	3.4
243.20992	3.7
245.19061	1.3
249.14880	3.1
253.14345	0.8
255.17371	1.5
261.22174	7.5
263.20224	0.9
273.18460	12.2
291.19540	100.0
292.19934	5.0
309.20682	1.5
317.24692	3.6
335.25793	90.2
336.26068	5.6
347.22177	2.7
351.53748	0.6
365.23233	43.8
366.23572	2.6
380.13602	0.7
505.34830	0.7
527.37476	1.0
545.38373	3.2
598.70813	0.6
607.43188	2.2
625.44574	77.3
626.44897	12.3
737.73749	0.6
822.56000	0.8
854.80469	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
61.39681	0.6
61.57506	0.6
65.03911	3.2
67.05465	2.2
69.07045	1.0
69.47242	5.0
77.03912	1.2
78.04710	1.3
79.05109	0.7
79.05495	6.1
81.07030	1.4
82.06535	1.0
85.02888	1.0
91.05486	12.1
93.03394	1.5
93.07045	10.3
95.04948	5.5
95.08588	1.7
97.06492	0.7
103.05469	12.1
105.04504	0.9
105.07024	12.8
107.04951	33.7
107.08541	1.6
108.02146	0.8
110.03651	1.3
111.04450	1.2
115.05447	3.4
117.07027	2.0
118.04152	3.6
119.04961	1.8
120.05702	2.0
121.06509	15.7
123.04433	3.9
123.08143	0.9
124.05178	3.2
125.05977	1.1
129.07001	1.1
131.04875	2.1
131.05901	0.7
133.06488	10.1
135.04311	0.7
135.08043	13.1
135.73181	0.6
136.05142	0.7
137.05981	3.7
138.06747	2.7
139.03893	0.7
145.06480	0.8
145.10069	1.3
147.04407	1.5
147.07942	0.9
148.05164	1.6
149.05971	7.3
150.06810	3.4
151.03885	1.9
152.04675	1.4
154.06223	3.6
155.07021	1.4
158.07237	1.5
161.05946	3.6
161.09537	1.1
163.07542	17.5
164.07872	0.9
165.05450	2.7
165.09108	5.4
166.06245	7.8
167.07030	46.3
168.07407	1.3
171.06537	0.8
173.09599	3.4
175.07576	1.7
177.05463	1.6
179.07066	1.3
180.07805	3.4
181.04970	47.2
181.08580	100.0
182.05269	1.2
182.08940	2.6
189.09091	2.2
191.10675	1.5
192.07835	1.1
193.08594	77.1
194.08929	3.9
195.10150	97.2
196.10548	2.6
201.09053	4.3
207.10197	1.0
209.08092	17.7
210.08800	2.6
213.23534	0.7
216.11443	4.8
217.08505	1.1
221.11737	7.2
231.10176	2.1
233.11786	2.4
249.11278	2.1
251.12796	1.1
259.13330	2.3
277.14209	1.1
293.11871	1.2
319.11826	1.0
324.14249	0.7
329.10187	4.6
353.13858	1.1
371.14941	1.4
374.59891	0.8
385.16458	4.8
386.17065	1.8
387.17883	2.0
403.17487	21.4
404.17871	1.5
413.19351	2.0
431.20731	1.7
583.49872	0.8
678.36530	0.8
741.65076	0.7
823.49377	5.9
824.49084	29.6
825.49139	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	824.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	8.1
65.03957	2.6
67.05505	52.4
69.03433	6.0
69.07071	14.8
70.58549	4.9
71.01340	4.0
71.04997	7.1
73.02921	3.5
79.05490	49.3
81.03418	72.0
81.07055	38.4
81.07508	3.2
83.04977	21.9
83.08623	22.4
85.02900	26.7
85.06562	6.8
86.09718	1.5
86.73253	1.5
91.03966	6.2
91.05478	39.6
93.07044	49.8
93.07609	3.1
95.04965	28.0
95.08606	15.4
97.02895	6.8
97.06534	13.7
97.10163	8.3
99.08074	2.8
103.05476	4.4
105.07036	24.4
106.07439	1.6
107.04936	9.2
107.08591	31.1
109.02883	3.3
109.06530	6.4
109.10189	8.7
111.04458	4.3
111.08091	10.4
115.05469	5.1
117.07037	5.5
119.08569	22.4
119.09327	2.3
120.08926	2.1
121.02985	2.0
121.06530	4.4
121.10133	12.0
121.32395	1.4
122.94820	1.5
123.08060	1.7
125.09655	3.9
127.03934	5.3
129.07021	7.1
131.04942	2.9
131.08562	10.5
133.06482	5.0
133.10120	14.9
135.04436	3.7
135.08072	2.3
135.11687	37.8
135.12648	2.4
136.12035	2.6
137.05975	9.0
137.09610	4.3
139.03937	1.4
139.70134	1.5
142.07788	3.9
145.05000	3.1
145.10141	11.0
147.04390	2.0
147.08095	2.4
147.11688	12.7
149.02380	2.1
149.05997	2.1
149.09630	5.7
151.03891	5.1
151.07529	3.1
152.35889	1.5
153.01830	3.0
153.05424	1.6
153.12656	1.7
157.10103	12.3
161.05978	4.5
161.09628	2.3
163.06111	2.2
163.07542	2.8
163.11217	6.7
164.08350	1.9
165.05592	2.4
165.09006	2.3
165.12764	3.7
166.07269	1.6
167.07068	4.0
167.10382	1.7
175.03963	4.6
175.11171	11.1
179.07111	2.3
181.04953	1.9
181.12218	8.3
191.06792	1.5
191.10680	1.8
193.12236	37.5
194.12457	1.7
209.49075	1.8
211.13293	43.8
212.13664	2.8
235.07738	1.8
249.14990	2.7
253.08644	1.6
255.15909	73.0
256.16235	3.0
267.10114	1.6
267.15891	35.5
267.18738	2.1
285.11334	8.1
285.16965	28.1
299.09140	23.3
325.10669	2.0
421.25961	4.1
443.13458	2.8
447.27417	88.3
448.27615	9.4
465.28473	100.0
466.28873	10.3
824.38428	2.8
825.40668	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5509
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	86.4
69.03426	8.1
69.07066	28.0
70.49674	4.0
74.02422	5.1
79.05486	62.8
81.03415	6.8
81.07050	100.0
82.07401	4.5
83.04982	10.3
83.08622	14.4
91.05482	56.1
93.07043	72.0
95.04984	9.8
95.08602	54.5
97.06535	9.8
97.10180	7.8
98.23302	11.4
105.07028	48.7
107.04960	6.6
107.08585	36.2
109.10159	23.1
117.06992	15.9
119.08536	35.2
121.10155	22.4
122.13223	5.4
123.08054	5.9
123.11665	8.1
131.08559	30.4
133.10139	21.1
135.11684	22.2
145.10118	16.5
147.11687	16.3
149.09645	9.6
149.13251	16.3
159.11684	18.0
163.11177	6.7
185.13365	4.9
195.13823	6.4
208.08633	4.9
261.22046	8.6
269.17465	18.8
275.20050	19.0
335.25842	76.2
336.26389	5.1
349.23569	11.1
515.37305	8.8
529.38812	46.0
530.39160	9.5
543.82159	5.5
569.41809	9.7
609.44849	18.9
680.63531	6.0
825.45892	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	824.5509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04998	1.9
59.85228	1.1
60.83184	1.1
61.02925	7.8
65.03948	4.8
67.05501	88.2
68.05857	1.3
69.01370	13.6
69.03432	10.6
69.07066	25.1
70.06593	4.0
71.04991	4.3
73.02908	4.2
73.24850	1.2
77.03962	1.6
79.05490	89.3
81.03412	7.2
81.07053	77.8
82.07400	1.6
83.04998	7.3
83.08620	25.2
84.08975	1.1
85.02907	7.1
85.06557	3.1
91.03936	2.6
91.05474	48.5
93.07040	67.8
94.07385	1.3
95.04977	8.2
95.08603	53.9
97.02868	8.3
97.06539	5.0
97.10165	46.6
98.10470	1.4
99.08109	2.0
103.05433	2.0
105.04527	2.2
105.07027	47.3
106.07392	2.4
107.04943	7.1
107.08589	82.9
108.08916	2.5
109.02886	3.2
109.06494	8.2
109.10154	27.3
111.08088	4.9
116.07069	3.1
117.07009	16.3
119.06100	1.8
119.08567	24.8
119.20798	1.1
121.06543	1.5
121.10139	26.3
123.08096	2.8
123.11694	8.9
125.09625	39.3
127.03928	4.8
129.07005	4.8
131.08574	16.2
133.10126	28.0
135.08043	8.5
135.11679	17.3
137.09599	1.9
137.13237	2.7
139.23396	1.1
143.08578	5.7
145.06493	1.4
145.10120	20.7
147.11678	14.4
148.12004	2.0
149.09641	7.7
149.13219	7.9
151.11243	1.2
153.09123	2.4
155.08553	2.0
157.10136	4.6
159.11685	14.7
161.13240	10.3
163.11214	3.2
163.14822	4.1
165.12764	1.7
169.10155	2.2
171.10243	2.8
171.11703	6.0
173.11821	2.3
173.13303	6.9
175.14841	4.2
177.12787	1.4
181.12228	1.5
183.11693	3.0
184.07397	1.5
185.13255	5.3
187.13304	1.7
187.14810	3.4
189.11209	29.8
189.12799	2.3
197.13297	2.2
201.16368	3.5
203.14423	2.0
211.14790	2.1
215.18007	1.8
219.17451	2.4
227.12773	52.7
228.13132	2.6
231.20938	1.5
236.14845	2.5
239.18059	3.8
241.19600	1.4
243.21136	4.6
245.13852	3.2
257.19006	9.6
259.20535	4.3
261.22144	19.8
262.22470	1.6
275.20044	46.8
276.20432	2.9
293.21030	2.1
306.65839	1.4
317.24725	3.1
329.17264	11.3
331.22665	5.6
333.24228	3.5
335.25772	98.7
336.26147	9.3
349.23740	45.6
350.24185	6.2
351.25504	2.3
367.29691	1.5
389.18063	4.5
441.34225	1.8
487.33762	2.4
505.35284	18.5
506.35287	3.0
519.29083	3.3
547.25470	2.0
563.59357	1.7
591.44000	1.8
609.45105	77.3
610.45374	13.2
627.46429	9.8
628.46686	1.8
649.39233	4.1
777.28851	1.5
825.47467	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5511
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04990	2.1
61.02915	4.6
65.03944	4.9
67.05505	85.0
69.03417	11.7
69.06361	13.3
69.07067	27.3
71.04984	5.5
73.02901	4.4
79.05489	86.9
80.05853	1.8
81.03425	7.3
81.07054	82.6
82.07381	1.9
83.04980	10.5
83.08611	28.2
85.02900	6.6
85.06540	5.4
91.03963	5.1
91.05480	54.7
92.05836	2.6
93.07040	68.9
94.07392	1.9
95.04963	6.7
95.08604	52.0
97.02883	6.9
97.06533	7.0
97.10168	56.6
99.08099	2.0
101.02418	1.7
105.04506	2.7
105.06355	3.4
105.07024	45.6
107.04964	6.8
107.08590	100.0
108.08910	3.6
109.02871	3.6
109.06510	4.8
109.10154	31.6
111.08070	4.5
115.05468	1.5
116.07117	2.5
117.07023	16.3
119.07761	2.4
119.08574	32.1
121.06504	2.5
121.10136	31.5
123.08067	3.2
123.11700	9.9
125.09628	51.6
126.09979	2.1
127.03902	5.2
129.07022	5.3
129.32410	1.3
131.08554	23.4
133.10120	31.6
135.08044	8.8
135.11697	21.0
137.09564	2.8
137.13284	1.8
143.08548	7.1
143.10690	2.7
145.10115	26.6
147.11676	19.7
149.09625	11.3
149.13210	8.8
151.11273	1.5
153.09076	3.8
155.08519	2.0
157.10118	6.3
159.08049	1.7
159.11662	13.4
161.09659	1.8
161.13242	8.3
163.11183	3.2
163.14847	3.7
169.10179	2.7
171.10141	4.4
171.11682	4.9
173.13239	9.5
175.14864	4.0
183.11688	3.9
185.13264	5.2
187.13367	1.9
187.14882	4.6
189.09506	2.1
189.11215	33.1
189.12833	2.6
190.11520	1.8
197.13272	3.3
199.14806	2.0
209.08066	1.8
211.14888	1.9
227.12770	86.4
228.13094	4.5
229.19492	2.6
239.17972	5.2
243.08507	2.5
243.21126	2.2
245.13815	3.8
247.16745	1.8
257.19009	13.8
259.20575	4.7
261.22086	13.6
273.18466	2.0
275.20059	64.3
276.20450	3.0
277.21762	2.4
293.21161	2.8
313.21475	1.7
329.17273	10.5
331.22632	4.3
333.24030	3.8
335.25790	70.8
336.26013	6.7
349.23721	59.5
350.23962	3.7
351.25589	2.9
389.18069	6.0
478.56000	1.6
487.34421	2.4
505.35049	5.6
509.96646	1.7
519.29150	2.7
535.41327	2.7
547.25098	4.4
591.44543	2.0
609.45117	72.3
610.45398	9.7
627.46149	11.5
628.46594	2.8
649.38562	2.7
825.47382	87.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4749
Annotation	Unknow
Peak:m/z	Relative Intensity
57.56678	0.2
60.08163	0.3
61.02926	5.0
62.60349	0.3
65.03939	0.4
67.05502	7.4
69.03427	3.8
69.07067	2.5
71.01366	0.4
71.05000	0.6
71.31826	0.4
72.01503	0.3
73.02917	3.8
79.05494	6.0
80.05854	0.4
81.03423	1.6
81.07054	6.8
82.07385	0.5
83.04985	0.6
83.08622	1.4
85.02901	4.5
85.06554	0.3
86.09689	1.7
87.04506	0.3
91.03949	2.4
91.05474	4.8
93.07043	5.1
94.07404	0.4
95.04972	0.7
95.08604	4.2
96.08981	0.4
97.02893	4.7
97.06537	0.9
97.10146	1.5
99.04473	0.9
101.02374	1.3
104.98563	0.3
105.07028	3.1
107.04958	0.4
107.08592	4.1
108.09016	0.4
109.02909	0.7
109.06494	0.6
109.10155	2.1
117.06979	1.4
119.08575	3.3
121.06497	0.4
121.10146	2.3
123.11720	0.6
125.00043	0.9
125.09644	1.2
127.03952	1.4
129.06993	0.4
131.08615	1.0
133.10153	1.2
134.10483	0.3
135.08058	0.6
135.11737	1.0
143.08623	0.3
145.06549	0.4
145.10147	1.2
147.07993	0.3
147.11722	0.9
149.13269	0.6
159.11737	0.6
161.13295	0.5
163.11249	0.3
163.41899	0.3
165.06940	0.4
173.13245	0.4
184.07338	4.9
184.08853	0.4
185.04283	0.5
189.11165	0.5
191.07059	0.4
209.08090	0.5
243.08401	1.4
257.18954	0.3
271.17130	0.3
275.20068	1.0
276.20486	0.3
299.16104	0.5
329.17233	13.5
330.17706	0.8
335.25793	2.0
336.26114	1.4
344.22247	0.3
349.23849	1.0
350.24301	0.6
385.19736	0.6
427.20111	0.3
438.42871	0.3
519.29449	4.6
520.29602	0.5
547.25073	2.5
548.65210	0.3
610.45380	2.4
611.46307	0.4
628.46027	0.4
663.41693	0.3
825.47491	100.0
826.47852	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	825.475
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	4.9
65.03946	0.7
67.05504	10.9
67.41493	0.4
68.05848	0.8
69.03423	3.4
69.07066	4.0
69.28115	1.0
69.28522	2.2
71.01349	0.4
71.04984	1.0
73.02917	4.1
79.05502	8.4
80.05821	0.7
81.03423	1.7
81.07056	9.8
81.07507	0.7
82.07394	0.7
83.04995	1.3
83.08613	2.1
85.02905	5.3
87.04475	0.7
91.03950	2.2
91.05488	7.4
92.05839	0.7
93.07043	8.8
93.29015	0.4
94.07401	0.5
95.04993	1.1
95.08601	5.6
96.08958	0.5
97.02877	4.9
97.03387	0.4
97.06550	1.1
97.10166	4.1
98.10529	0.4
99.04454	1.0
101.02378	2.3
105.07040	4.0
107.04947	1.1
107.08589	5.6
109.06550	1.2
109.10151	2.8
111.08093	0.4
115.05536	0.5
117.07027	2.2
119.08579	4.7
121.06492	0.4
121.10155	2.5
123.11729	1.0
125.09634	4.1
127.03928	1.2
131.08571	2.1
133.10120	2.2
134.10498	0.7
135.08043	0.7
135.11745	1.8
137.09654	0.6
143.08612	0.6
145.04993	0.5
145.10158	1.8
147.11745	1.0
148.12097	0.5
149.09676	1.4
149.13324	0.5
153.09123	0.7
157.10175	0.8
159.08121	0.8
159.11732	0.9
161.09541	0.5
161.13312	0.7
163.07722	0.4
163.11229	0.6
169.10101	0.4
173.13306	0.8
183.11737	0.6
184.07381	0.6
185.04237	1.0
189.11229	1.5
207.41978	0.5
227.12865	1.8
228.13214	0.7
243.08421	3.0
261.22220	0.6
271.16974	0.5
275.20102	2.7
276.20465	1.4
289.17935	0.5
299.16309	1.2
301.08926	0.5
329.17178	9.6
329.20819	0.7
335.25641	3.9
336.26120	3.2
349.23871	2.1
350.24161	1.6
385.19925	1.3
446.03812	0.4
506.35803	0.6
513.04810	0.4
519.29523	3.6
547.25140	6.0
609.45563	1.4
610.36407	0.6
610.45337	4.2
626.08826	0.4
628.46820	0.8
825.47491	100.0
826.47864	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	826.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	1.0
71.33687	1.1
72.13369	0.9
79.05495	4.1
91.05462	9.5
93.07030	8.7
95.04951	3.6
95.08578	0.9
103.05473	7.0
105.07014	14.8
107.04949	21.5
107.08613	1.3
108.05342	0.8
109.06528	1.3
115.05441	2.8
117.07014	1.2
118.04153	3.5
119.04916	1.7
120.05727	2.2
121.06495	12.2
123.04401	2.4
124.05214	3.8
125.09610	0.8
131.04895	1.3
133.06468	12.8
133.41502	0.8
135.08044	10.3
137.05981	4.1
147.04439	2.1
148.05170	1.4
149.05966	5.5
150.06750	2.7
151.03923	2.1
151.07480	0.9
152.04694	1.4
153.45532	0.8
154.06239	2.2
161.05940	5.8
163.07526	14.7
164.08002	0.9
165.09071	5.9
166.06264	6.7
167.07028	46.4
168.07402	1.8
175.07544	1.7
177.05496	1.4
177.08969	0.8
178.09851	0.9
180.07826	2.3
181.05049	7.3
181.08583	78.4
182.08934	3.9
189.09137	1.0
191.07024	1.0
192.07851	6.2
193.08588	100.0
194.08960	5.0
195.10153	72.2
196.10455	3.2
206.09114	0.9
207.09877	1.0
209.08063	17.1
210.08519	1.7
217.01054	5.9
218.01494	0.9
221.11710	13.7
222.12163	1.2
247.51007	0.8
311.12723	1.2
348.12958	0.8
369.05765	2.7
370.06357	1.4
371.14948	2.9
403.12531	1.4
403.17484	17.6
404.17758	1.0
599.88806	0.8
707.87531	0.9
813.30835	1.2
826.42255	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	826.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	3.9
67.05504	2.7
69.03423	1.0
71.33904	1.0
79.05467	2.4
81.07066	0.6
82.04201	0.8
85.02882	2.3
88.98456	0.6
91.05488	1.6
93.03380	2.1
93.07014	0.9
95.04967	2.0
95.08598	0.8
97.06506	0.7
103.05461	2.4
105.07018	6.2
107.04948	17.2
107.08606	0.9
108.02079	0.7
110.03664	2.4
111.04482	1.3
115.05451	2.3
117.07007	0.7
121.06500	2.0
123.04385	2.0
124.05167	1.0
125.05986	1.8
126.78866	0.5
129.06960	1.2
132.18726	0.6
133.06458	2.4
135.04306	0.8
135.08043	6.0
137.05954	1.4
138.03127	0.9
142.02603	2.0
143.08591	0.7
145.10072	1.3
149.05984	1.0
150.06667	0.7
151.07466	0.8
152.04726	0.7
153.05461	1.8
154.06198	1.8
161.05968	1.3
161.09610	1.1
163.07527	7.3
165.05441	1.2
165.09079	1.4
167.07033	21.2
168.07436	0.9
171.06514	3.4
173.09531	0.8
175.07471	1.0
177.05458	1.5
180.07773	1.9
181.04941	100.0
181.08392	1.9
182.05257	3.8
184.07309	1.0
189.09064	3.0
192.07771	0.6
193.08592	12.4
194.09090	1.2
195.10152	50.3
196.10486	1.4
201.08984	1.0
209.08058	1.7
216.11458	0.7
217.08586	0.7
221.11629	2.7
233.11740	0.9
249.11150	2.9
347.20953	0.6
385.16302	1.0
387.17935	1.4
403.17456	33.8
404.17868	2.9
431.20493	0.7
597.26477	2.1
826.48956	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	0.7
68.30289	0.5
69.28854	2.7
69.29269	0.8
77.03938	0.7
78.04717	0.8
79.05482	5.4
79.72060	0.5
81.03414	0.6
81.07041	0.9
82.21577	0.5
88.98389	0.4
91.05475	11.3
93.07042	9.0
95.04958	3.7
95.08578	1.1
97.06573	0.4
98.22547	0.9
103.05466	10.1
105.03402	0.7
105.04511	1.1
105.06328	0.9
105.07027	14.5
106.04178	0.5
107.04948	28.5
107.08557	0.9
108.05235	0.6
111.04465	0.5
114.51503	0.5
115.05459	2.7
117.07009	1.0
118.04146	4.5
119.04941	2.1
119.08597	0.5
120.05722	2.7
121.06500	14.8
123.04407	2.9
123.08079	0.5
124.05209	4.0
125.05961	1.0
129.07033	0.5
131.04906	1.8
131.05956	0.6
133.02856	0.8
133.06482	13.6
134.07245	0.6
135.08049	13.4
136.08374	0.8
137.05988	3.8
138.06679	0.9
145.07610	0.8
147.04393	1.6
147.08052	1.0
148.05157	1.9
149.05966	5.9
150.06784	3.5
151.03880	2.0
151.07500	0.9
152.04680	1.8
154.06224	4.1
161.05988	6.8
162.06516	0.6
163.06177	1.0
163.07533	16.8
164.07857	0.9
165.05440	1.1
165.09109	4.9
166.06256	6.6
167.07033	55.3
168.07413	2.0
175.07591	0.5
177.05435	1.9
177.09068	0.6
178.06174	0.5
178.09866	1.2
179.07047	0.5
180.07828	2.9
181.05151	6.1
181.08589	93.6
182.08934	4.3
189.09053	0.7
191.06999	1.1
191.10701	0.6
192.07819	5.6
193.08598	100.0
194.08968	4.4
195.10159	78.2
196.10468	3.8
206.09358	1.1
207.10168	0.8
209.08076	18.3
210.08679	1.7
221.11717	12.5
221.13434	0.3
221.13890	0.6
222.11996	0.8
233.11742	0.7
341.10004	0.4
345.13300	0.5
346.01941	0.5
371.14902	2.5
385.16348	1.6
387.17990	0.7
403.17462	18.1
404.17822	1.9
413.19623	0.4
806.80859	0.6
826.49786	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.5151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04974	1.9
60.08165	0.5
61.02650	0.7
61.02924	9.5
65.03918	1.1
67.05504	57.4
68.05829	0.9
69.03426	2.3
69.07066	5.3
71.04993	2.6
71.08632	17.3
73.02917	2.4
79.05492	2.5
81.03387	1.6
81.07053	15.4
82.07413	0.6
83.04969	0.8
83.08617	11.2
85.02418	0.7
85.02903	10.7
85.06518	2.1
85.10182	10.3
86.09678	2.2
87.04405	0.5
89.06013	1.2
91.03947	6.4
91.05482	4.3
93.07036	2.7
95.04943	0.8
95.08034	0.9
95.08601	14.8
96.04474	0.5
97.02877	5.8
97.06459	0.7
97.10178	2.8
99.04446	0.6
99.08069	0.5
99.11678	0.7
103.07495	0.5
105.07018	0.5
107.00449	0.4
107.08575	2.0
109.06406	0.7
109.10151	58.9
110.10479	1.2
111.08084	2.4
111.11691	1.0
115.03909	0.8
119.08583	4.3
119.53316	0.4
121.10104	1.3
123.11713	2.7
124.99982	0.9
125.09647	0.7
127.03929	2.5
135.11713	0.8
137.09601	2.0
137.13246	0.8
139.11093	0.5
145.04942	3.3
147.11725	0.5
149.13257	0.7
155.10643	3.1
163.06017	3.7
173.11732	15.1
173.13248	0.8
174.12183	0.8
184.07323	6.8
189.10924	0.4
228.92848	0.6
229.14340	79.6
230.14642	3.6
239.23767	2.0
257.24765	1.8
313.27347	75.4
314.27664	5.5
339.29254	0.6
467.37302	100.0
468.37704	10.1
611.40863	0.6
627.66565	0.5
657.94556	0.5
826.48065	0.8
827.48596	1.8
853.12201	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.5151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04976	2.8
61.02922	11.9
65.03941	2.2
65.79277	1.7
67.05159	3.7
67.05502	64.5
69.03422	1.9
69.07069	7.6
71.04989	2.1
71.08636	17.1
73.02911	2.8
79.05481	2.9
81.07051	18.6
83.08620	10.1
85.02908	10.6
85.10209	8.5
86.09724	2.5
90.61770	1.9
91.03956	8.8
91.05489	3.1
92.55877	1.9
93.07034	5.1
95.08620	15.9
97.02888	5.9
97.10151	2.6
107.08606	2.5
109.10155	63.3
119.08560	5.0
120.30267	1.8
127.03912	2.7
137.09601	3.4
145.04951	3.7
152.18709	1.9
155.10654	4.1
163.05942	3.5
173.11717	20.0
173.13095	2.6
184.07350	6.9
185.70575	1.7
229.14339	100.0
230.14703	5.6
257.24774	2.6
313.27341	82.3
314.27576	4.0
467.30731	3.9
467.37323	75.5
468.37592	7.6
673.93292	1.9
764.57916	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.5668
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	6.3
65.03941	3.0
67.05506	47.4
67.31153	1.0
68.05833	1.4
69.03438	7.2
69.04705	7.1
69.05118	3.2
69.07071	17.5
71.04989	4.2
73.02918	4.0
79.05495	29.3
80.05818	1.2
81.03434	5.2
81.07058	53.6
83.04996	4.4
83.08622	8.7
85.02901	5.6
85.06561	2.3
86.09698	1.1
91.03956	2.6
91.05487	20.8
92.05830	1.1
93.07047	27.2
94.07416	1.5
95.04977	3.9
95.08608	28.2
96.08960	1.7
97.02886	7.9
97.06499	5.1
97.10191	5.4
99.04466	1.4
99.08104	2.3
101.02404	1.8
103.05459	1.2
105.04624	1.3
105.07034	14.5
107.04942	2.4
107.08590	12.4
108.08997	1.1
109.06518	3.8
109.10163	10.7
111.08119	1.7
117.07002	7.4
119.08583	12.2
121.06533	1.8
121.10146	11.4
122.10332	1.1
123.08077	2.5
123.11704	4.8
125.00078	0.9
125.09631	1.5
127.03963	2.6
128.06244	1.0
129.05443	1.5
129.06996	2.7
129.09875	1.1
131.08591	8.8
133.10127	11.3
134.10512	1.8
135.08110	1.7
135.11694	5.9
137.09651	4.0
139.11183	1.9
142.07765	1.2
143.08566	1.6
145.05013	1.2
145.10147	5.8
147.11729	6.7
149.09657	3.1
149.13229	5.9
151.11182	5.9
152.11496	1.4
157.10176	2.0
159.11688	6.0
160.12074	1.1
161.13300	2.9
163.11205	2.2
163.14899	1.6
173.13304	2.7
177.12671	1.1
183.11768	1.1
184.07393	3.5
195.13680	1.7
243.08461	1.7
255.15887	4.1
257.19131	1.7
259.20554	2.4
263.23700	2.5
269.17444	11.0
275.20020	9.5
290.10925	1.1
313.17807	1.7
322.31512	1.1
325.38760	1.2
326.09766	1.3
331.18848	4.1
331.22440	1.2
335.25668	3.4
336.26089	2.9
337.23300	2.1
337.27350	32.1
338.27637	2.0
349.23785	6.3
517.38971	6.5
518.39514	1.5
519.29248	10.8
531.40430	29.6
532.40704	3.4
571.43750	2.4
611.46796	9.5
629.46967	3.3
726.17645	1.3
729.41376	2.5
790.38470	1.6
809.48187	10.8
827.49164	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4028
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	9.6
62.73577	0.5
67.05500	5.9
69.03429	5.8
69.07077	1.7
71.01367	1.2
71.04978	0.9
71.32523	0.5
71.32915	1.1
73.02921	6.4
79.05483	3.7
80.20042	0.5
81.03431	2.7
81.07059	8.9
81.07507	0.9
83.04977	1.1
83.08641	1.7
85.02903	8.4
91.03949	5.9
91.05479	2.8
92.28436	0.5
93.07045	5.8
95.04964	0.7
95.08625	1.8
97.02885	9.7
97.06546	0.8
99.04464	1.4
101.02401	3.7
103.03931	1.0
105.07047	1.2
107.05016	0.8
107.08611	3.1
109.02898	1.5
109.10167	1.3
111.08077	1.0
117.07057	1.5
119.08624	0.8
121.10181	2.0
123.11689	0.8
125.45261	0.5
127.03959	2.1
129.61472	0.5
131.08580	1.0
133.10184	1.7
134.10500	0.6
135.11681	1.0
137.06039	0.9
145.04977	0.7
149.13301	2.1
159.11723	1.2
177.12732	0.7
185.04285	1.5
195.13803	1.4
203.05324	1.3
235.13152	1.5
243.08398	3.1
269.17548	1.1
274.19565	0.6
291.15762	1.3
301.08926	0.8
338.07074	0.7
347.09418	3.4
365.10425	1.2
373.30466	0.7
405.13571	7.5
413.17859	0.7
453.20969	17.0
454.21741	1.0
469.20679	0.6
523.81677	0.6
615.26208	15.0
616.26660	1.3
657.30469	1.2
665.35590	2.2
723.38959	3.3
827.40302	100.0
828.40485	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	827.4031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.40311	0.3
61.02925	7.9
67.05502	5.0
67.06776	0.4
67.99936	0.4
69.03427	4.5
69.07073	1.5
69.68932	1.8
71.01355	1.1
71.04999	0.8
73.02917	5.4
79.05488	3.1
81.03423	2.0
81.07056	7.6
83.04993	0.7
83.08638	1.1
85.02900	7.7
87.04488	0.5
91.03960	4.9
91.05482	1.9
92.74406	0.4
93.07037	5.6
95.04987	0.6
95.08636	1.7
97.02894	7.6
97.03484	0.5
97.06544	1.1
97.10154	0.5
98.22639	0.7
99.04468	1.4
99.08142	0.4
101.02387	2.6
103.03961	0.5
105.07026	0.4
107.08592	3.3
109.02901	1.0
109.06572	0.4
109.10104	0.6
111.08089	1.1
115.03919	0.7
117.07051	1.2
121.10155	2.0
127.03909	2.6
127.54057	0.3
131.08617	0.9
133.10176	0.8
135.11719	0.9
145.04971	0.9
149.09457	0.3
149.13261	4.2
159.11742	1.7
177.12889	1.0
185.04297	1.4
195.13895	0.6
203.05283	0.9
235.13013	2.3
243.08374	2.7
269.17606	1.2
291.15756	1.1
347.09439	3.0
363.08972	0.4
365.10672	1.2
405.13681	6.3
453.20935	18.3
454.21539	1.5
486.15579	0.4
503.29822	0.7
551.28235	0.4
615.26135	15.0
616.27051	1.1
665.35138	2.9
788.66925	0.4
827.40271	100.0
828.40607	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	827.4035
Annotation	Unknow
Peak:m/z	Relative Intensity
60.67752	0.5
61.02926	6.5
67.05503	5.2
69.03445	3.2
69.07067	1.4
69.19412	0.9
69.19811	3.6
71.01348	0.7
71.04993	0.9
73.02921	4.3
76.43921	0.5
79.05488	3.5
81.03429	2.8
81.07056	5.9
85.02910	8.4
85.06519	0.8
87.04446	0.5
91.03950	4.3
91.05492	2.3
93.07049	4.0
95.04984	0.7
95.08609	1.4
97.02893	6.6
97.06538	1.3
98.23365	1.1
99.04458	1.1
101.02380	2.0
105.07035	1.3
107.08595	2.7
109.02865	1.0
109.10175	1.1
111.08126	0.6
117.07021	0.5
119.08617	0.8
119.39214	0.5
121.10160	1.8
127.03932	2.6
131.08578	1.0
133.10155	1.4
135.11676	1.1
149.13263	2.4
151.04063	0.6
159.11757	0.7
166.38718	0.5
195.13844	0.7
203.05283	0.7
209.82141	0.6
235.13089	1.2
243.08388	2.5
269.17609	1.4
291.15723	0.8
301.09033	1.4
342.62329	0.5
347.09717	1.8
365.10742	1.1
405.13699	4.5
413.17770	0.7
423.81253	0.5
429.16721	0.5
453.21011	12.3
454.21454	1.3
455.37241	0.5
590.17651	0.7
615.26257	11.1
657.30646	1.8
665.35394	1.8
723.39075	2.2
827.40344	100.0
828.40601	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	827.4391
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05011	1.6
59.74530	0.8
61.02922	10.9
64.67785	1.0
67.05505	8.5
69.03435	7.3
69.07074	2.0
69.56647	5.2
70.11551	1.0
71.01337	0.9
71.04995	2.8
73.02909	7.7
79.05489	6.0
81.03417	6.8
81.07055	8.8
83.04977	1.9
83.08627	1.8
85.02903	9.9
85.06491	0.9
86.09730	1.1
87.04472	1.0
91.03959	6.8
91.05469	5.7
93.07047	6.0
95.04980	3.5
95.08598	1.9
96.33720	0.9
96.46660	0.9
97.02888	8.4
97.06573	2.2
97.10169	1.3
98.23238	1.2
99.04455	1.9
101.02384	3.9
105.07059	3.1
107.04945	1.6
107.08611	3.9
109.02871	1.6
109.06544	1.1
109.10168	4.0
119.08599	3.0
121.10172	2.5
127.03923	3.6
129.05478	2.0
129.07016	1.5
131.08600	2.8
133.10124	3.4
135.11687	2.4
145.10112	0.9
147.11732	2.0
149.09621	2.6
157.10190	2.1
175.11189	1.8
181.04709	1.4
185.04190	5.0
193.12267	2.7
201.03804	1.7
223.13295	2.0
229.14488	1.2
243.08432	9.1
251.12444	1.4
265.14001	1.5
267.16068	1.6
283.15131	17.0
301.08932	16.8
309.16837	2.9
315.10590	3.1
323.18423	4.4
339.17902	2.4
341.12170	1.2
357.15204	1.5
372.75104	0.9
373.10995	6.3
381.18793	6.4
385.18350	10.9
387.12650	2.4
395.20590	1.4
399.20163	3.0
413.17648	8.8
427.19397	9.2
429.17380	1.4
439.19293	6.1
441.20917	1.0
457.20096	1.3
465.28204	5.5
469.20178	4.6
481.20328	7.9
483.21530	1.7
499.21112	5.6
501.23148	37.3
502.23370	3.9
503.21204	1.3
511.28818	2.8
516.21661	1.4
517.22382	2.1
529.22467	20.0
530.23145	1.2
537.31403	1.0
545.21936	2.2
551.28540	1.9
573.25159	13.4
583.30811	1.3
587.26813	2.6
601.28174	4.1
613.32001	3.7
615.29767	3.4
629.31305	1.5
643.32837	3.9
657.30621	4.2
673.34155	8.1
683.31042	3.9
699.35443	16.4
709.33502	1.4
710.96442	1.1
723.39136	22.8
724.39343	3.8
741.36609	63.5
742.36981	7.2
809.42670	7.2
827.43793	100.0
828.44165	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	827.4906
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50738	0.3
61.02927	5.6
65.03928	0.7
65.60363	0.3
67.05504	5.9
69.03423	3.3
69.07063	2.8
71.01349	0.3
71.04984	0.5
73.02907	3.8
79.05490	4.3
81.03411	1.9
81.07053	5.4
83.01391	0.4
83.04981	0.5
83.08627	1.0
85.02896	4.7
87.04479	0.8
91.03953	3.4
91.05478	3.1
93.07045	4.9
95.04967	1.1
95.08598	4.7
97.02888	5.1
97.06550	0.4
97.10161	1.0
98.22543	0.7
99.04478	0.9
101.02378	1.6
105.07025	1.7
107.04971	0.4
107.08612	2.5
109.02891	0.7
109.10183	1.8
115.03912	0.3
117.07054	0.9
119.08588	1.4
120.26933	0.3
121.10137	1.6
125.09653	0.7
127.03914	1.5
131.08618	1.0
133.10153	0.8
135.11685	0.9
145.10063	0.5
147.11658	0.5
149.13298	0.6
173.13234	0.4
184.07387	0.5
185.04274	0.7
223.13295	0.9
227.12852	0.3
243.08430	2.4
291.19666	0.7
326.19049	0.3
331.18857	2.2
387.21802	0.3
427.17313	0.3
442.78604	0.3
519.29285	10.5
520.29663	1.0
549.26788	2.9
550.27570	0.4
601.16943	0.4
665.43494	0.6
745.37830	0.4
827.49042	100.0
828.49359	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	827.4913
Annotation	Unknow
Peak:m/z	Relative Intensity
58.14898	0.6
61.02931	14.3
65.03944	0.8
67.05505	18.7
68.05830	1.2
69.03432	8.6
69.07072	5.8
69.49461	3.0
71.04986	1.9
73.02924	7.3
77.27937	0.6
79.05495	12.0
80.05853	0.7
80.13009	0.6
81.03424	4.2
81.07058	16.3
82.07394	1.7
83.04975	2.0
83.08624	3.0
85.02911	12.0
85.06545	0.6
87.04488	1.0
91.03959	7.5
91.05474	8.8
93.07047	11.2
93.07593	0.8
94.07355	1.1
95.04996	2.6
95.08610	12.2
96.08971	0.7
97.02892	10.6
97.06548	1.6
97.10159	1.0
98.23298	1.3
99.04481	2.0
101.02396	3.2
105.07029	7.2
107.04949	0.8
107.08602	8.5
109.06519	1.4
109.10145	5.6
111.08103	1.0
115.03938	0.8
115.92033	0.6
117.07019	1.9
119.08589	4.3
121.06543	1.1
121.10156	4.4
123.08105	0.9
123.11716	1.7
127.03925	3.3
129.06973	0.9
131.08612	2.7
132.08936	0.7
133.10127	5.1
135.11684	3.0
143.08638	1.0
145.04919	0.7
145.10173	2.5
147.11731	2.0
149.09653	1.1
149.13284	0.9
159.11734	1.3
161.13327	0.7
163.80856	0.6
165.12837	0.8
165.72424	0.7
173.13252	0.9
175.14832	0.6
184.07396	1.1
185.04291	1.8
203.05304	1.1
225.74155	0.6
237.04198	0.7
243.08386	4.3
301.08832	0.7
313.17877	2.7
331.18872	6.8
335.25760	1.3
337.27472	2.8
338.27917	2.3
350.24152	0.8
419.95282	0.6
451.19321	1.1
499.57672	0.9
519.29309	17.3
520.29944	1.5
531.25824	1.7
532.40912	2.4
549.26740	1.7
570.97467	0.8
591.31830	1.9
652.01813	0.7
729.41772	3.9
758.42456	0.9
792.83374	0.8
809.48163	12.9
810.48291	2.4
827.49115	100.0
828.49469	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	827.4907
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	6.7
61.03214	0.7
62.62711	0.4
66.13595	0.4
67.05504	8.5
69.03426	4.6
69.07060	2.1
71.01366	0.6
71.04983	1.0
71.08646	0.5
71.30772	0.4
71.82902	0.4
73.02911	5.6
79.05494	6.3
79.64085	0.5
81.03430	2.6
81.07050	7.7
83.05006	0.5
83.08623	1.3
85.02900	7.1
86.09734	0.9
87.04469	0.6
91.03956	3.8
91.05486	4.4
93.07039	5.6
95.04977	1.1
95.08597	5.8
97.02888	6.0
97.06536	0.6
97.10157	0.5
99.04478	1.5
101.02370	2.5
103.03967	0.4
105.07019	2.9
107.08601	4.4
109.02909	1.1
109.06559	0.7
109.10159	4.1
117.07059	1.6
119.08595	2.5
121.10149	2.6
123.11728	0.5
125.00030	0.5
125.09655	0.8
127.03954	1.5
128.06161	0.5
129.05482	0.5
129.07025	0.7
131.08580	2.2
133.10107	2.1
135.08063	0.5
135.11722	1.9
137.09636	0.6
143.08553	1.1
145.10136	2.4
147.11693	0.9
149.13319	0.7
161.13223	1.1
171.11623	0.7
173.13342	0.6
184.07312	2.8
194.67665	0.4
196.66724	0.4
229.14352	1.2
230.14627	0.6
243.08377	2.5
295.58456	0.6
331.18726	8.8
331.22217	0.6
332.19165	0.7
335.25818	0.6
413.17816	0.6
468.37775	0.9
519.29321	7.5
520.29578	0.7
527.02057	0.5
544.92780	0.5
549.26715	3.4
827.49066	100.0
828.49500	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.7078
Annotation	Unknow
Peak:m/z	Relative Intensity
60.27517	22.8
86.09703	46.9
89.24373	24.4
95.08628	33.3
98.66598	28.4
114.83109	23.5
117.13349	22.0
127.48328	24.1
136.04721	24.1
175.35626	27.0
181.20120	24.8
184.07358	100.0
196.83104	28.4
316.95987	24.5
336.21164	26.1
827.48755	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	828.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
60.00805	0.3
62.16970	0.3
64.80479	0.3
67.05493	0.3
71.33681	0.5
75.98825	0.3
78.04697	1.2
79.05494	2.6
84.40520	0.3
86.09711	1.9
91.05473	1.6
93.07040	0.3
95.04941	1.1
103.05472	1.7
105.07002	2.5
106.04168	0.7
107.04948	18.9
107.08604	0.5
109.02787	0.3
115.05421	0.9
115.37007	0.3
117.06996	0.4
120.05680	0.6
120.08086	0.3
121.06491	0.8
123.04427	4.0
124.05218	1.8
133.06451	0.9
135.08057	5.4
137.05951	0.3
139.03825	0.4
142.30147	0.3
147.04424	0.4
147.07999	0.3
149.05931	0.9
151.03879	0.7
151.07527	0.3
152.04663	1.5
154.06212	1.8
161.05928	0.8
161.45853	0.3
163.07532	7.4
164.08044	0.4
165.05479	0.3
167.07021	100.0
168.07329	3.4
179.07024	0.4
180.07780	1.9
181.08537	1.0
186.01338	0.3
193.08603	4.8
195.10149	52.6
196.10477	1.9
207.10088	0.4
211.09644	9.7
230.42535	0.3
233.11775	0.7
235.13231	0.7
387.17825	0.8
389.19321	0.5
396.77530	0.3
735.93060	0.4
829.44220	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
64.49603	0.3
65.03928	0.4
69.25361	1.9
69.25770	0.5
75.47200	0.3
76.38942	0.3
77.03926	0.4
78.04709	1.3
79.05488	5.0
81.07014	0.4
86.09718	0.4
87.43922	0.3
91.05471	3.0
93.03401	0.4
93.07035	0.8
95.04950	1.4
97.12566	0.3
101.06818	0.3
103.05454	3.9
104.06301	0.4
105.07026	14.0
106.04164	0.8
107.04949	34.3
107.08593	0.5
108.05276	0.8
109.06539	0.9
114.16033	0.3
115.05424	3.2
117.07008	1.6
118.04124	1.5
119.04933	0.4
120.05712	0.9
121.06477	1.3
123.04417	2.8
124.05218	2.2
129.81898	0.4
131.04893	1.1
132.05710	0.5
133.05511	0.6
133.06490	10.2
134.07242	0.4
134.75475	0.3
135.04428	0.5
135.07007	0.7
135.08044	12.8
136.08400	0.4
137.05956	2.5
139.07556	1.5
145.07550	0.8
147.04398	0.8
147.08038	1.0
148.05141	0.6
149.05997	0.7
150.06746	1.6
151.03836	0.8
151.07460	0.4
152.04680	1.4
154.06235	3.1
160.05138	0.3
161.05965	5.4
162.06601	0.4
163.07538	20.3
164.07990	0.6
165.05457	1.0
165.09084	3.7
167.07024	98.7
168.07365	4.0
173.09612	0.3
175.07510	0.6
177.05463	0.7
178.06242	0.7
178.09845	1.0
178.44792	0.3
179.07008	0.3
180.07834	4.2
181.08569	1.3
191.07051	0.5
191.10641	0.4
192.07796	7.6
193.08588	100.0
194.09143	6.7
195.10152	71.8
196.10489	2.9
201.09090	0.8
206.09355	0.3
207.10139	2.6
209.08105	0.7
211.09636	4.0
221.11699	10.4
222.12019	0.4
233.11690	2.0
234.12073	0.4
239.12708	0.4
250.07108	0.4
306.85928	0.3
355.14944	0.3
361.16431	0.6
387.18030	2.5
388.18436	1.3
551.63074	0.4
567.38556	0.3
767.00702	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.4734
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04498	0.6
61.02923	4.3
65.03930	1.3
65.84462	0.6
67.05499	9.9
69.03426	8.8
69.07065	13.8
69.22021	0.6
69.26971	4.6
71.04998	1.4
71.08627	1.0
73.02917	1.0
79.05490	8.9
81.03435	3.4
81.03838	0.6
81.06572	1.3
81.07052	23.7
83.04956	0.8
83.08609	7.0
85.02902	28.3
85.03421	1.6
85.06541	0.7
87.04480	0.8
91.03930	1.0
91.05471	12.3
93.07040	27.6
95.04987	1.3
95.08604	45.2
96.08944	1.3
97.02892	9.9
97.06497	1.0
97.10168	4.8
99.04449	1.3
101.72166	0.7
105.07027	19.4
107.08589	39.3
108.08889	1.1
109.02870	2.2
109.06520	1.5
109.10156	26.4
111.08072	1.9
111.11720	1.1
117.07027	3.6
119.08576	30.1
121.10139	40.3
122.10467	1.6
123.08092	1.3
123.11700	11.0
125.09595	1.2
127.03932	5.4
129.07008	1.9
131.08563	10.4
131.71968	0.8
133.10129	20.6
133.11151	1.1
135.08052	1.3
135.11685	40.3
137.09598	1.4
137.13235	6.2
138.10143	0.7
141.07030	1.1
142.07813	0.8
143.08560	5.3
144.06522	0.8
145.04953	7.9
145.06505	0.7
145.10123	14.9
146.10431	1.0
147.11679	16.0
147.12840	0.8
149.09630	1.2
149.13261	19.2
150.13635	0.8
151.11137	0.9
151.14769	0.9
153.01846	2.1
155.08531	1.7
157.10138	6.3
159.07983	0.8
159.11691	13.5
161.09648	1.7
161.13251	15.1
162.07619	1.7
163.06071	1.7
163.07532	1.6
163.14816	22.8
164.15164	1.4
165.09019	0.9
165.12749	1.3
167.07167	0.7
169.10110	3.2
171.11684	8.1
173.09644	2.1
173.13246	16.7
174.13603	1.1
175.11198	0.8
175.14827	12.8
177.12794	0.8
177.16345	5.8
179.14337	2.2
180.08658	6.1
181.10168	1.2
183.11703	4.5
185.13269	6.2
186.14012	0.8
187.11194	1.3
187.14810	14.9
189.12750	1.1
189.16380	22.7
190.16698	2.0
191.14304	1.1
191.17934	21.5
192.18236	0.9
193.15953	1.0
195.11783	1.9
197.13219	3.3
199.11249	1.3
199.14786	7.1
201.12645	1.2
201.16373	10.9
203.17938	13.5
205.12285	2.2
205.15860	1.3
207.13863	1.4
207.17424	2.2
209.13269	1.5
211.14778	4.0
213.12625	1.0
213.16373	6.1
214.17007	1.3
215.14368	2.3
215.17950	9.0
217.12300	1.7
217.15919	2.2
217.19426	3.3
219.13832	2.6
219.21085	0.6
223.14919	1.2
225.16368	4.1
227.14375	1.4
227.17917	7.9
229.15916	1.9
229.19493	9.3
231.13800	2.3
233.11702	0.9
233.15367	4.9
233.19096	1.0
237.16347	0.9
239.17943	5.4
241.19511	7.9
242.20007	0.8
243.17307	3.6
243.20975	3.6
245.15341	1.5
247.16846	0.9
247.20570	2.6
251.18091	0.8
253.19481	3.6
255.21146	4.4
257.19022	2.1
259.17001	1.7
259.20547	1.0
261.15039	1.4
261.18430	3.9
263.16269	3.3
265.19446	1.6
267.20996	4.0
269.22610	1.7
271.16989	1.5
271.20670	0.9
271.24152	0.8
273.18472	5.0
275.20020	1.7
277.14383	2.1
279.15976	1.5
279.21133	2.5
281.22461	4.3
283.20776	0.9
283.24197	0.8
285.18497	4.3
287.20053	2.7
289.18118	2.6
289.21487	1.0
293.22604	1.9
295.20703	1.4
295.24078	1.8
297.22302	0.9
299.20139	2.1
301.21689	1.1
303.19485	1.4
305.17111	1.0
307.18909	3.9
307.24225	1.4
309.22101	1.8
313.21759	1.8
320.73938	0.8
321.20621	3.1
321.25824	1.5
325.21515	1.2
327.23105	2.3
329.21078	0.8
335.27173	1.4
339.23163	2.4
341.24844	1.0
353.24698	1.2
355.22345	1.5
357.24246	1.0
373.23691	3.9
375.25348	2.5
377.32019	16.7
378.32584	1.2
379.33862	1.7
381.27936	1.2
387.30374	1.3
395.33035	8.4
396.32919	1.0
397.34488	0.9
399.25525	0.9
405.31512	5.4
413.27051	1.1
423.32571	72.3
424.32938	6.8
425.34219	1.8
433.30896	2.3
441.33664	20.9
442.33899	1.9
451.32089	16.8
452.32309	1.9
469.33112	100.0
470.33429	10.9
487.34201	16.0
488.34448	2.1
557.38733	1.1
585.38092	1.2
649.39203	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	829.5058
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08175	0.5
61.02924	4.4
61.20118	0.5
67.05507	5.3
69.03427	4.3
69.07045	2.8
69.19686	1.5
69.20086	3.7
71.01357	0.6
73.02916	3.7
79.05492	5.6
81.03437	1.7
81.07056	6.0
83.05010	0.7
83.08617	2.6
85.02912	5.2
86.09716	1.5
91.03950	2.6
91.05476	3.3
93.07043	4.8
95.04986	0.8
95.08595	5.7
96.13705	0.5
97.02901	5.0
97.10172	2.6
99.04492	0.6
101.02402	1.5
105.07052	1.8
107.08614	2.5
109.02895	0.6
109.10192	2.5
119.08610	1.2
121.10184	2.0
123.11767	0.5
125.09667	2.0
127.03954	1.2
131.08557	0.9
133.10126	0.8
135.11749	1.2
137.09648	0.5
137.70123	0.5
145.10187	0.9
147.11707	0.6
161.09509	0.5
182.23247	0.5
184.07430	2.3
185.04262	0.7
189.11447	0.6
238.29494	0.6
243.08600	1.6
245.13564	0.5
333.20334	6.1
335.26105	0.6
336.82803	0.6
519.29352	8.2
530.66296	0.7
551.28339	3.1
829.50641	100.0
830.51050	18.4
830.63147	0.5
854.90033	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.5062
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	5.1
64.35301	0.5
65.03931	0.6
66.25673	0.5
67.05507	7.1
69.03430	4.3
69.07072	2.4
71.01353	0.7
71.05012	0.7
71.30546	0.6
73.02911	3.8
79.05495	5.4
81.03423	2.2
81.07051	7.6
83.04984	0.8
83.08611	1.2
83.16393	0.5
85.02899	4.7
85.06549	0.7
86.09721	1.6
91.03955	3.9
91.05473	4.2
93.07050	5.8
95.04978	1.1
95.08600	5.2
97.02890	5.4
97.06532	0.9
97.10188	0.6
99.04482	0.8
101.02399	1.8
104.74469	0.5
105.07021	2.3
107.08585	3.1
109.02887	1.1
109.06593	0.6
109.10188	2.2
111.08141	0.6
115.03935	0.5
117.07045	1.0
117.81559	0.5
119.08568	2.6
121.10139	2.4
123.11726	1.1
124.11886	0.5
125.00037	1.6
127.03944	1.3
131.08612	1.0
133.10152	1.8
135.08072	0.8
135.11751	1.2
141.61435	0.5
145.10211	1.5
147.11734	0.8
149.13295	0.8
159.11746	0.6
184.07327	4.7
185.04173	0.8
243.08400	2.4
253.21672	0.5
256.85730	0.5
333.20273	2.4
334.87228	0.5
335.25961	0.7
430.14670	0.5
487.41818	0.6
519.29297	9.4
520.30072	0.6
551.28027	3.3
775.59064	0.6
829.50665	100.0
830.50867	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	829.5066
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02940	9.0
67.05506	9.7
69.03437	5.6
69.07071	4.3
69.18019	12.4
73.02926	6.2
75.45842	1.3
79.05498	5.9
81.03417	2.8
81.07056	8.7
85.02911	7.5
86.09715	1.5
88.72704	1.3
91.03960	4.3
91.05490	5.1
92.89358	1.3
93.07043	7.8
95.04964	1.8
95.08592	6.8
97.02915	6.0
101.02380	3.9
105.07020	3.0
107.08621	2.1
109.10163	2.3
110.21915	1.5
119.08587	2.4
121.10199	2.2
127.03959	1.7
131.08539	1.5
133.10204	1.6
145.32512	1.5
184.07422	4.0
243.08554	2.8
333.20514	4.4
354.20078	1.3
443.80875	1.5
479.50494	1.5
519.29425	9.1
551.28326	5.5
821.33844	1.5
829.50629	100.0
830.50720	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.5888
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05513	2.0
69.07063	2.4
70.01263	5.6
81.07056	2.0
86.09702	100.0
87.10015	2.5
91.05495	1.7
93.07094	1.6
95.08633	2.9
98.09663	1.7
103.05483	2.3
105.06998	2.2
112.11239	8.0
120.08096	45.9
120.57523	1.5
121.10164	1.6
137.05946	1.3
137.09311	1.3
146.09616	2.7
154.15892	20.1
157.13365	11.5
162.06735	2.8
167.07104	1.5
177.05478	1.5
185.12854	13.2
186.42691	1.4
188.14316	6.3
191.89870	1.3
195.10101	1.7
199.18013	17.3
216.07489	1.5
225.19690	6.8
227.17552	14.2
233.16469	18.1
253.19086	6.7
259.18130	1.8
261.15976	14.2
267.24286	8.0
287.17566	1.8
295.23764	3.5
298.21271	7.2
301.22665	6.0
323.09244	1.5
329.22125	3.4
332.19742	5.2
340.26010	3.2
341.09912	1.5
366.27368	2.3
374.24380	5.1
385.50644	1.7
400.25851	2.4
408.32358	1.4
411.29688	4.4
417.28098	1.6
445.28107	4.4
453.33975	2.2
487.32376	2.1
496.38403	1.4
513.34521	2.9
524.37714	4.2
558.36322	8.8
626.42603	4.2
637.45465	1.7
643.45007	4.1
671.44781	21.1
672.44989	2.6
739.50464	3.2
756.53949	8.9
757.53625	2.7
766.51703	2.7
784.53271	18.1
785.52478	3.3
829.33588	3.7
829.48492	4.7
830.33813	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	830.4529
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05157	0.4
67.05495	3.5
69.07064	3.4
69.29970	1.5
69.30382	0.8
69.51222	0.3
71.08623	0.4
73.48603	0.3
74.76263	0.3
79.05486	2.7
81.07055	8.2
83.08620	1.7
85.02894	1.7
85.06538	3.5
91.05487	2.7
93.06449	0.5
93.07040	10.4
94.07343	0.4
95.04913	0.4
95.08603	16.0
96.08954	0.4
97.06538	0.5
97.10177	0.9
99.32359	0.3
105.07020	4.4
107.08587	14.6
108.08945	0.6
109.10151	8.9
111.08115	0.3
113.09624	0.7
117.07016	1.0
119.08567	7.1
121.10133	9.8
122.10507	0.5
123.11697	3.6
127.03948	0.4
127.11209	0.8
129.06979	0.8
131.08549	3.0
133.10124	5.6
135.11685	24.8
136.12051	0.8
137.13261	3.6
141.07063	0.3
143.08568	2.5
145.04918	0.5
145.10114	5.2
146.10323	0.3
147.11671	3.9
149.09642	0.4
149.13252	5.0
150.13570	0.3
151.14833	0.9
155.08575	0.8
157.10123	3.7
159.11693	3.9
161.05945	0.4
161.13254	3.5
163.11177	0.8
163.14821	5.8
165.16432	0.4
167.10780	0.3
169.10168	1.9
171.11676	4.5
172.11978	0.3
173.09637	0.7
173.13275	2.5
175.11211	1.4
175.14806	5.1
177.12761	0.8
177.16388	5.3
180.08655	0.9
181.10001	0.6
183.11671	2.5
184.12184	0.3
185.13277	4.1
187.11168	0.7
187.14775	2.4
189.09151	0.5
189.12737	2.3
189.16348	5.0
190.16733	0.5
191.17929	3.1
195.11710	1.5
197.13290	1.4
199.11147	0.3
199.14793	3.9
201.12732	1.1
201.16446	0.9
202.35629	0.3
203.10658	0.7
203.14320	0.5
203.17915	5.0
205.12283	0.6
209.11534	0.4
209.13345	1.5
211.14752	2.2
213.12764	1.1
213.16373	1.6
215.14363	1.3
215.17888	0.7
217.12337	0.4
217.15857	1.8
222.70197	0.3
223.14975	1.5
225.16417	3.1
227.14340	1.1
227.17958	1.6
229.12317	0.4
229.15863	1.1
231.13815	0.7
231.17328	0.4
235.13310	0.6
237.16431	1.2
239.17926	2.0
241.15826	1.2
241.19572	0.9
243.13824	0.4
243.17416	2.0
243.21040	0.4
245.15373	1.8
245.18977	0.7
251.17986	1.8
253.19604	1.2
255.17505	0.9
255.21133	0.7
257.15353	0.4
257.18985	1.2
259.17163	0.4
261.14844	1.0
263.16425	1.1
265.19293	1.7
269.15408	0.9
269.18887	1.6
271.16907	1.2
271.20062	0.3
273.14938	0.9
273.18176	0.3
275.16391	1.1
277.19611	0.6
279.21027	0.6
283.17337	0.5
283.20566	2.3
284.39935	0.3
285.18497	0.9
285.21857	0.4
287.16330	0.4
289.17987	1.1
291.21024	0.5
295.20856	0.5
297.18378	0.8
301.10672	0.4
301.17801	0.5
303.19547	2.0
305.22443	0.5
309.22043	0.5
311.20016	1.3
315.19568	2.2
323.23752	0.7
329.21133	7.8
330.21533	0.5
337.21619	0.5
341.21155	1.4
343.22495	0.5
351.23334	0.4
352.70084	0.3
355.22406	0.6
359.26074	0.5
361.28848	3.3
362.29404	0.6
369.24277	1.1
379.29852	5.5
380.30362	0.6
383.25784	0.9
390.21942	0.3
397.31000	1.0
407.29465	6.1
408.29684	0.8
425.30463	100.0
426.30829	10.6
443.31537	14.1
444.31897	1.7
862.84344	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
67.00660	0.4
67.05507	0.8
68.87823	0.4
69.24522	2.7
79.05470	0.8
81.07072	1.2
86.09678	0.8
86.67388	0.5
95.08600	0.8
107.08685	0.5
107.26174	0.4
157.18135	0.4
160.56544	0.4
167.07085	0.4
173.00081	0.4
175.03700	0.5
176.04456	0.9
189.05212	42.2
190.05656	1.8
201.05260	1.1
202.05978	4.8
203.03252	0.9
203.06718	2.0
204.03845	0.9
205.04723	4.7
213.08949	1.2
216.07571	12.5
217.08311	5.7
218.08994	0.6
229.08452	0.9
231.06281	1.1
232.07079	0.5
233.07991	0.6
245.07906	1.5
341.10013	0.7
394.13663	0.5
411.14136	1.6
411.18506	0.8
412.14743	0.8
413.15701	3.8
421.16333	0.6
423.23489	0.5
425.15817	1.7
426.16458	5.6
427.17130	3.4
439.17221	7.1
458.15540	0.6
605.23688	1.3
619.25043	0.8
620.25818	7.7
621.26617	2.5
633.26984	0.8
831.35461	100.0
832.35773	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	831.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
60.31538	1.1
67.05491	1.4
69.99274	1.3
69.99622	5.1
71.85019	1.3
79.05483	1.9
81.07057	2.8
86.09681	1.8
95.08616	1.3
98.23232	1.7
107.08670	1.4
122.11544	1.3
128.54753	1.2
175.03757	2.3
189.05226	66.3
190.05734	2.0
201.05333	2.7
202.06114	4.1
203.06776	2.7
213.08946	2.1
215.06837	1.6
216.07584	43.9
217.08348	14.2
219.06366	1.7
229.08455	3.0
233.07887	2.6
234.08626	51.6
235.09227	2.9
237.91415	1.5
247.09604	1.7
261.60419	1.4
329.80353	1.2
410.17090	2.9
411.17767	100.0
412.17993	6.8
441.18842	44.0
442.19254	3.9
446.77869	1.6
455.20511	3.4
609.04218	1.5
619.25403	2.0
622.27460	46.3
623.28064	10.1
831.35510	51.6
832.35254	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	831.4706
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	9.9
62.82792	1.9
67.05509	11.0
69.03430	7.4
69.07060	5.3
71.08650	3.0
71.32588	1.5
71.33524	2.3
73.02927	6.1
74.14351	1.8
79.05492	2.0
81.03439	1.8
81.07066	7.0
82.81278	2.1
83.08622	5.8
83.50973	2.0
85.02919	11.7
86.09691	5.0
87.04498	1.9
91.03959	7.8
91.05477	2.9
93.07094	4.3
95.08617	7.6
97.02908	11.4
97.10151	2.2
101.02422	3.9
101.11350	1.9
105.07059	1.9
106.17107	1.9
107.08623	4.6
109.02889	2.6
109.10156	6.2
119.08604	2.1
121.10164	3.4
125.00028	3.8
127.03901	3.1
162.78677	2.1
184.07321	17.1
193.71663	1.9
243.08473	2.6
347.09286	4.5
405.13556	9.6
413.17978	8.2
460.96573	2.0
497.31000	9.1
575.22949	9.0
659.36078	13.3
669.41998	2.5
831.46973	100.0
832.47314	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	831.47
Annotation	Unknow
Peak:m/z	Relative Intensity
58.62915	1.1
61.02926	8.1
67.05512	7.7
69.03413	4.5
69.04613	1.2
69.17406	2.2
69.17798	8.8
69.40019	1.1
71.01343	1.6
71.24125	1.1
73.02892	5.7
78.11369	1.4
79.05509	2.8
81.03394	1.9
81.07063	6.2
83.08595	2.2
85.02903	7.6
91.03944	4.5
91.05457	1.9
93.07026	3.6
95.08591	3.2
97.02895	7.7
99.04456	1.9
101.02361	3.7
105.07053	1.9
107.08562	1.4
109.10146	7.1
119.08569	1.2
121.10211	1.2
127.03938	2.6
135.11740	2.1
147.11713	1.2
173.11726	2.8
184.07338	4.1
185.04259	1.9
243.08342	2.5
321.08295	1.3
347.09381	3.0
355.13974	1.3
405.13632	6.2
413.17844	9.7
423.44968	1.3
457.70663	1.2
484.43060	1.3
497.30771	5.0
535.28839	2.5
537.29779	1.9
575.22968	8.2
589.12286	1.3
659.35773	3.5
669.41669	2.9
831.47198	100.0
832.47632	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	831.5216
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	13.5
67.05496	12.5
69.03041	1.1
69.03413	6.3
69.07040	2.7
71.57150	1.2
73.02900	7.2
78.14166	1.2
79.05482	6.5
81.03412	2.3
81.07053	11.5
82.93265	1.6
83.08604	2.4
85.02901	10.7
86.09712	2.3
88.23513	1.3
91.03963	7.3
91.05472	3.9
93.07040	6.9
95.08609	10.6
97.02866	9.3
98.23384	3.2
99.04419	1.7
101.02379	3.9
103.58888	1.2
105.07009	4.8
107.08592	4.4
109.02913	2.0
109.06525	1.8
109.10117	9.9
115.03928	1.7
119.08567	2.6
121.10173	1.8
125.00024	1.3
127.03859	2.0
128.78334	1.7
131.08557	3.5
133.10144	1.7
135.11700	2.2
147.11696	2.7
161.13266	1.9
184.07382	5.9
185.04205	1.5
203.05257	1.9
229.14357	1.9
229.50412	2.0
236.21790	1.5
243.08372	7.4
347.09497	2.0
405.13620	4.9
413.17569	8.3
497.30573	5.8
535.28711	7.1
537.30347	11.4
539.58972	1.4
575.22882	6.3
617.08057	1.7
659.35309	3.9
669.41235	2.2
808.74323	1.7
831.51544	100.0
832.51917	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	1.1
69.32171	4.4
81.07037	0.7
86.74161	0.7
93.07049	0.9
95.08627	0.8
98.22591	1.4
105.06973	0.9
107.04954	0.6
121.81587	0.6
160.55339	0.5
174.17844	0.6
174.35718	0.6
175.03687	1.5
176.04530	1.9
187.07281	0.8
189.05215	55.5
190.05708	2.2
193.08604	0.8
201.05324	1.8
202.05988	10.0
203.06792	4.4
205.04713	12.3
205.87511	0.6
206.05103	1.0
207.06427	0.8
213.08788	0.6
215.06866	1.6
216.07565	24.1
217.08330	14.4
218.09190	2.1
219.06366	1.2
229.08484	1.2
231.10068	0.9
233.07840	7.7
234.08623	15.4
235.09193	0.8
243.78284	0.6
247.09412	5.7
262.08115	0.7
304.86008	0.8
307.48483	0.7
396.15500	2.2
397.16370	1.9
410.17166	1.2
411.17761	7.7
413.15677	12.1
425.19662	1.8
427.17288	6.3
428.18216	2.6
429.18927	2.0
441.18796	14.4
442.19223	1.4
607.24927	3.4
621.26624	9.1
622.27368	3.0
623.27551	1.1
833.37030	100.0
834.37366	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	834.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01859	0.5
69.03423	3.2
70.89581	0.6
70.89925	0.7
71.04980	0.7
71.65219	0.4
72.39544	0.4
81.03418	4.9
85.02907	2.4
97.02872	1.3
99.04449	1.1
100.33812	0.4
103.05456	0.9
109.02887	2.5
113.06006	0.5
113.43046	0.4
115.05419	0.4
119.04973	0.4
127.03896	3.4
131.04930	0.4
141.05450	1.7
145.04945	0.4
146.03616	0.5
147.04408	1.1
153.01830	0.6
157.02867	1.0
163.03905	0.6
173.02333	1.2
174.95747	0.3
175.03906	1.9
180.97423	0.4
185.02330	1.5
187.03897	5.4
191.03384	1.7
201.01828	2.2
202.02515	0.6
203.03358	4.2
213.01804	3.1
215.03395	4.2
219.02838	1.4
229.01360	2.4
230.02003	0.9
231.02870	20.2
232.03163	1.0
241.01283	3.6
244.76338	0.4
245.04495	0.6
247.02321	3.4
257.00827	3.0
259.02365	34.6
260.02621	1.9
273.03958	1.4
275.01880	5.7
276.02634	11.5
277.03406	100.0
278.03726	4.4
285.00302	2.9
289.03265	0.5
291.04938	4.2
303.01331	49.0
304.01596	2.6
321.02380	2.8
335.03967	4.1
355.04288	0.5
363.03214	0.6
378.01941	0.4
411.03436	0.7
423.05588	0.5
429.04495	0.6
447.05374	0.7
465.06726	2.9
649.29486	0.5
785.07019	1.1
830.82172	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
58.90823	0.1
67.05499	0.1
69.03424	0.6
69.07061	0.1
71.04980	0.2
71.35171	0.2
79.01853	2.6
79.05502	0.1
81.03412	1.3
81.07085	0.2
85.02867	0.2
87.00854	0.1
91.05492	0.1
93.07053	0.6
95.08604	0.5
97.02889	1.2
97.06528	0.4
107.01333	0.5
107.08576	1.0
109.02879	1.8
109.10166	0.5
111.66591	0.1
125.02329	1.6
127.03908	1.3
131.04909	0.2
135.10744	0.2
135.11687	1.7
143.03401	3.9
143.67656	0.1
153.01823	100.0
153.12726	1.1
154.02153	2.3
154.03369	0.1
159.04474	0.2
163.04106	0.1
165.01797	0.1
171.02890	2.6
181.01308	0.3
183.02783	0.2
191.03406	0.1
195.02798	0.1
197.00739	0.1
205.04948	0.5
215.03453	0.2
217.04916	0.3
220.00932	0.1
233.04433	0.9
237.03928	0.2
243.02884	0.4
261.03915	1.7
279.04987	3.2
297.06036	5.4
298.06369	0.1
315.06982	1.0
449.07129	0.5
467.08206	9.9
468.08566	0.8
745.62610	0.1
763.40845	0.1
770.68579	0.1
861.79688	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4782
Annotation	Unknow
Peak:m/z	Relative Intensity
60.54149	1.4
61.99704	1.4
67.05489	3.6
69.07065	2.1
71.08627	3.4
71.33392	2.3
79.05472	1.7
81.07031	3.8
82.06572	1.8
83.79644	1.3
86.09703	100.0
87.10020	1.9
91.05473	1.5
93.07022	1.8
95.08597	4.5
98.09702	2.7
103.05470	1.7
105.07044	3.1
112.11237	9.5
120.08098	73.9
124.11227	4.1
130.55396	1.2
132.08055	1.4
136.04271	9.1
146.09653	1.9
154.15907	29.1
157.13307	6.5
158.09698	2.0
175.48801	1.2
185.12831	8.6
188.14313	9.8
189.14868	1.4
195.14964	2.2
199.18027	17.3
203.11790	7.0
204.10527	3.8
207.07974	16.6
225.19540	4.0
227.17537	10.8
233.16449	10.6
235.07430	19.7
236.07881	1.6
249.12685	4.5
253.19066	4.0
260.60944	1.6
261.16016	6.9
267.24289	11.1
277.12137	3.5
283.11066	8.5
295.23770	4.0
298.21231	4.3
301.22559	6.5
311.10541	17.4
313.27417	2.9
329.22263	3.2
335.25388	1.3
336.22388	1.5
337.12131	2.4
340.25980	4.0
348.15842	9.2
351.17334	4.4
379.16739	3.9
382.14200	9.4
390.20911	1.9
411.29590	2.5
424.18921	7.7
450.20459	5.1
461.24231	7.5
467.23041	1.5
471.99536	1.4
492.25412	2.4
495.22681	6.8
537.27167	2.4
563.28644	6.8
573.48975	1.5
574.32568	7.9
580.31226	4.1
608.31177	11.4
609.31104	2.5
635.67023	1.6
636.29602	1.3
659.41223	2.0
676.37561	9.6
677.37610	1.7
687.40393	2.9
693.39697	9.4
703.37054	1.7
721.39508	13.9
789.45105	4.4
806.48291	8.7
807.47504	2.6
834.33038	1.8
834.47839	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	835.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
60.48142	0.6
67.10472	0.6
69.44572	0.6
71.13860	1.2
91.05492	0.6
104.76035	0.6
107.24635	0.5
108.40560	0.6
137.05984	0.9
139.19611	0.6
151.03954	0.9
163.07559	0.6
165.63948	0.6
175.03639	8.2
176.04546	1.3
181.04915	0.8
189.05235	1.9
203.03261	0.9
205.04712	45.6
206.05167	1.8
218.05470	8.1
218.07281	0.8
219.06207	1.0
232.07083	6.7
233.07886	0.7
249.07370	1.7
265.35361	0.7
323.93835	0.7
381.13281	0.7
382.14050	1.0
403.14136	0.6
412.14996	2.4
413.15408	0.9
415.13507	4.6
425.15637	9.3
426.16452	1.0
429.15237	7.5
430.15329	0.7
439.17044	0.8
455.16644	3.0
630.55353	0.7
638.23157	3.6
639.23944	1.1
835.31378	100.0
836.31598	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	835.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
69.23929	3.7
80.15893	0.5
108.21545	0.5
145.06427	0.8
175.03587	0.6
181.05046	0.5
189.05225	14.0
203.06763	0.6
204.07628	0.7
217.08345	1.1
219.06287	1.0
231.09770	0.8
233.07936	0.5
234.08635	15.7
235.09247	1.4
287.89127	0.5
429.18823	100.0
430.19165	9.7
641.22546	0.6
835.33569	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.4267
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04999	1.0
61.02925	5.9
63.07705	0.4
63.86092	0.4
65.03925	1.2
66.12253	0.5
67.05504	26.0
69.03091	0.6
69.03414	2.3
69.07066	8.2
69.21458	3.7
71.01353	0.8
71.04989	2.9
73.02927	2.4
75.85139	0.5
79.05491	18.6
80.05839	0.7
81.03423	5.8
81.07055	30.8
82.07397	0.6
83.01328	2.8
83.04977	6.0
83.08616	8.6
85.02899	6.7
85.06551	1.7
86.09660	0.6
91.03062	0.5
91.03963	4.0
91.05475	10.2
93.07040	29.3
94.07391	0.6
95.04980	4.6
95.08598	10.2
96.90253	0.5
97.02885	4.0
97.06520	5.4
97.10181	1.3
99.04455	1.7
99.08099	1.1
100.53912	0.5
103.05486	0.6
105.07027	7.0
107.04951	4.5
107.08588	17.3
109.06512	3.4
109.10166	3.3
109.31144	0.5
111.04460	1.2
111.08090	3.4
117.07001	5.0
119.08581	4.6
121.06515	2.2
121.10140	9.6
123.08067	3.7
123.11708	1.6
123.49680	0.4
125.06007	0.7
125.09639	0.8
127.03941	1.6
128.06227	0.5
129.07002	0.8
130.07742	0.5
131.08557	4.3
133.10118	3.8
135.08061	1.9
135.11687	7.5
137.05939	1.2
137.09590	0.8
145.04944	1.9
145.10103	6.6
147.08061	0.8
147.11699	1.2
148.05037	0.5
149.09605	1.0
149.13243	10.0
151.03909	1.0
151.07523	0.5
151.11212	0.9
153.12776	1.4
157.10138	0.7
159.11691	4.9
161.06061	0.7
163.06033	2.0
163.11179	10.9
165.09099	0.5
173.09630	1.6
177.12704	2.5
181.12265	1.8
191.10703	1.5
195.13773	4.6
200.32390	0.4
209.11729	2.5
213.14835	0.9
227.12752	2.8
229.14546	0.7
235.16766	0.5
251.16537	0.8
265.14377	1.2
269.17462	41.5
270.17877	2.6
283.15390	30.1
284.15808	1.8
313.10849	0.6
333.07166	0.6
417.43076	0.5
437.25266	0.6
459.27411	2.6
477.28467	100.0
478.28720	9.9
485.82785	0.5
606.09747	0.5
621.32220	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.4425
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04993	0.7
61.02925	7.0
65.03926	2.0
67.05502	35.4
68.05826	0.7
69.03418	3.7
69.07069	11.4
70.58330	0.9
70.58648	1.1
71.04993	5.0
73.02914	2.3
79.05489	25.4
80.05817	0.6
81.03416	37.2
81.07053	46.8
83.04523	1.0
83.04980	11.2
83.08617	19.4
83.29478	0.5
85.02399	1.2
85.02904	19.9
85.06538	2.4
91.03966	4.5
91.05476	27.2
93.07039	33.2
94.07364	1.0
95.04965	15.6
95.08604	13.2
97.02880	5.5
97.06528	7.0
97.10192	2.7
99.04432	0.9
99.08090	1.6
103.05449	0.9
105.04520	0.6
105.07024	14.1
107.04950	4.3
107.08591	18.1
109.02930	0.8
109.06522	4.4
109.10175	3.2
111.04440	1.9
111.08072	8.7
113.06008	1.8
115.05473	1.1
117.07019	4.4
119.04910	0.7
119.08569	10.8
121.06495	2.1
121.09277	0.6
121.10136	12.3
123.04413	0.7
123.08093	1.8
123.11694	2.4
125.09572	1.5
127.03915	1.6
128.06276	0.6
129.06990	6.6
131.08562	10.4
133.06474	1.5
133.10124	11.4
135.08072	1.2
135.11708	4.9
137.06009	1.5
137.09505	1.2
139.11128	0.8
142.07767	1.4
142.44162	0.6
145.04959	2.0
145.10098	1.4
147.08049	2.1
147.11688	8.4
149.09595	4.0
149.13243	10.4
150.13579	0.7
151.03886	1.1
151.11221	0.9
153.01826	0.6
155.08530	0.5
157.10115	8.2
159.11676	5.6
161.05949	1.0
163.06012	2.5
163.07301	0.7
164.08340	0.7
165.12778	2.0
167.07033	0.7
175.11191	7.7
177.05548	0.6
177.12730	2.4
187.87897	0.6
193.12241	23.5
194.12595	0.9
195.13777	6.1
195.88162	0.6
204.51591	0.5
211.13277	30.6
212.13678	1.1
213.14893	1.0
267.15881	19.3
268.16565	0.6
269.17456	47.4
270.17740	3.7
279.16010	0.6
285.11728	1.3
285.16940	26.2
286.17358	1.5
435.27527	0.9
443.28076	1.5
461.28937	42.5
462.29269	4.7
479.30020	100.0
480.30341	11.6
623.34454	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	838.531
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05018	1.4
65.03944	3.9
67.05507	73.7
67.05869	3.6
69.03426	3.7
69.07073	20.0
69.29324	11.3
71.04988	7.2
71.08624	1.8
79.05494	60.3
81.03410	10.1
81.07057	65.3
82.07424	2.0
83.01353	1.8
83.04984	49.4
83.08630	14.1
85.02905	3.4
85.06544	4.4
87.04482	2.3
91.05484	43.8
93.07048	58.6
95.04970	13.7
95.08608	47.5
95.09220	2.5
97.02911	3.1
97.06542	6.6
97.10179	12.2
98.22609	1.7
99.08157	2.7
105.04472	2.3
105.07030	33.2
107.04955	18.3
107.08598	33.0
107.09338	1.6
109.06538	7.2
109.10150	21.4
111.04426	7.4
111.08089	6.8
115.05419	3.4
117.07017	19.0
119.08587	32.9
121.02921	1.4
121.06521	5.5
121.10149	23.7
123.04433	1.6
123.08070	4.1
123.11690	3.8
125.05975	2.9
125.09634	10.7
128.06285	1.5
129.05481	1.5
129.07018	6.0
130.07825	2.0
131.08568	16.4
133.06519	3.2
133.10133	16.2
135.04305	1.7
135.08073	17.7
135.11707	17.0
137.09628	4.2
139.07605	1.8
141.07109	2.1
143.08560	5.4
145.06497	5.9
145.10132	17.4
147.08051	6.0
147.11707	6.6
149.09628	5.3
149.13293	5.8
153.09123	2.1
153.12738	5.9
155.08565	1.9
157.10117	4.7
159.08095	11.6
159.11670	7.9
161.09598	3.1
161.13283	3.9
163.07526	3.3
163.11176	12.9
165.12813	1.7
169.10106	2.7
171.11636	2.2
173.09610	5.4
173.13242	3.5
177.09023	2.4
179.14244	2.3
181.12209	4.2
183.11761	2.4
185.13284	2.9
187.14842	1.5
189.11198	6.1
191.10667	2.8
193.12225	7.3
199.14851	1.6
207.13797	2.4
209.11687	2.3
225.16449	2.9
227.12798	10.0
236.14883	2.5
243.17528	3.2
243.21065	2.3
249.14944	1.7
259.20520	2.4
261.18570	9.5
261.22089	8.1
271.16934	9.7
275.20151	3.9
277.21634	2.9
283.15396	28.3
284.16104	1.6
289.17987	40.3
290.18356	2.4
291.19519	2.0
317.24631	3.2
333.24054	1.7
335.25809	100.0
336.26254	8.4
345.20642	1.8
349.23779	2.3
363.17545	2.1
363.21649	24.7
364.22159	2.0
381.22769	12.1
420.72824	1.5
479.37244	2.0
505.36890	1.5
525.35590	1.9
543.36829	27.1
544.37543	2.0
561.37695	3.2
607.43787	1.7
623.33838	2.6
623.43158	39.2
624.43359	5.2
626.48767	1.7
641.44116	23.7
642.44476	4.4
750.51971	1.6
838.56805	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	839.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05484	0.6
69.03415	0.8
69.07061	0.3
69.20074	2.7
74.80708	0.3
79.01853	8.0
81.03399	2.5
81.07081	0.4
83.04982	0.4
85.02924	0.8
85.76329	0.3
87.05200	0.3
91.05481	0.8
91.60809	0.3
92.99765	0.5
93.07043	0.7
97.02888	2.6
99.04458	0.5
103.05447	0.4
105.07061	0.9
107.01337	1.9
107.04964	0.4
107.08582	0.3
109.02895	1.9
110.23769	0.3
113.06033	0.6
119.08546	0.4
121.02820	0.3
121.06464	0.4
121.10122	0.4
123.11721	0.6
125.02345	3.7
127.03909	2.1
131.04884	0.4
131.42801	0.3
137.05966	0.7
143.03397	8.7
143.08592	0.4
145.06479	0.4
147.04408	0.4
147.11748	0.4
151.03934	0.6
153.01825	100.0
153.02910	7.0
154.02171	2.3
161.06032	0.5
163.04013	0.3
163.29634	0.3
165.05418	0.3
167.03378	0.6
167.07071	1.2
171.02979	0.4
173.05991	0.4
174.06734	0.7
177.05542	0.4
179.07091	0.6
181.04904	0.7
187.03885	0.5
189.09113	1.2
203.06967	0.5
205.04970	0.5
207.02895	0.6
213.03917	0.9
216.07719	0.6
217.05141	0.5
217.08591	10.0
218.05728	1.5
218.08794	0.5
220.07272	1.0
221.08070	7.8
222.08316	0.4
223.06059	0.9
229.04907	1.2
229.08476	0.6
230.05762	2.8
230.09360	0.4
231.06511	0.6
231.10161	4.0
233.08080	36.6
234.08659	3.3
237.03940	0.5
239.06963	0.4
239.10672	0.4
240.07793	0.6
241.08636	0.8
243.06569	2.2
244.07301	3.2
245.08083	38.5
245.11623	1.5
246.08427	1.6
247.06029	4.1
247.09587	2.3
248.06674	0.9
249.07602	3.4
255.04898	0.5
255.10161	3.6
257.08084	6.0
258.08835	3.7
259.06155	1.6
259.09644	14.1
260.09988	0.5
261.04077	0.5
261.07571	1.3
263.09137	39.4
264.09503	2.5
268.07123	0.4
269.08112	0.8
270.08813	0.4
271.09631	1.2
272.06735	0.5
273.07645	1.3
273.11206	8.1
274.11389	0.8
275.09213	1.3
279.04980	0.8
283.09650	9.0
284.09964	0.8
285.07550	1.2
287.09137	23.1
288.09390	1.4
289.07172	0.4
295.06052	0.5
296.06714	0.5
299.09119	5.0
301.10730	2.6
303.05112	0.8
305.10263	2.4
311.09103	11.7
312.09451	0.9
317.10120	4.2
318.10519	0.5
329.10175	39.0
330.10464	2.2
347.11249	10.0
348.11597	0.7
365.07755	0.3
365.12286	5.5
383.13467	1.0
397.09018	0.7
415.10202	7.6
416.10422	0.9
461.28925	0.4
467.08105	1.9
481.11282	9.4
482.11310	0.6
499.12311	7.9
500.12646	0.7
517.13428	12.2
518.13629	0.7
535.14447	15.3
536.14697	1.2
585.45599	0.4
669.14435	5.7
670.14514	1.0
687.15521	13.0
688.15570	1.2
722.16992	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.5849
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	1.0
69.07074	0.4
70.06601	0.5
71.31245	0.5
79.05518	1.0
81.07069	1.0
83.08636	0.5
87.04481	0.9
91.05501	1.1
93.07079	1.0
95.08632	0.8
97.06556	0.3
105.07076	1.0
107.08617	0.5
109.10185	0.6
113.36616	0.3
116.07102	0.4
117.07037	0.3
119.08627	1.0
121.10162	0.6
133.10159	0.4
135.11726	0.4
145.10213	0.4
146.03339	0.3
236.14885	0.3
275.20163	0.7
319.21277	0.4
337.22495	0.8
349.23975	0.3
350.24097	0.4
355.23633	0.6
384.22278	0.3
525.34155	0.4
544.36609	0.3
651.47772	0.7
667.47546	0.3
736.72595	0.3
759.37158	0.3
821.42920	0.3
821.57458	0.6
839.58459	100.0
840.58850	19.2
840.75537	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	10.4
67.05502	2.7
71.33448	3.3
71.33828	2.7
79.05492	5.8
81.07048	3.8
82.22155	2.0
91.05471	14.8
93.03389	6.7
93.07037	8.8
95.04951	7.3
95.08595	4.0
103.05462	13.1
105.07026	21.3
107.04944	5.3
107.08614	2.3
110.03651	8.2
111.04414	11.6
118.04115	3.5
119.04965	3.7
120.05727	2.8
121.06514	14.7
121.10129	2.8
123.04462	3.8
125.05984	9.4
129.06955	4.7
131.04907	2.8
133.06474	17.3
135.08044	4.7
137.05949	9.3
148.05247	3.7
149.05960	7.2
150.06772	4.7
153.05469	27.1
157.06496	4.0
161.05968	5.5
161.09579	3.5
163.07509	5.5
165.09099	14.8
166.06281	6.1
167.07063	16.4
171.06480	2.4
173.09657	3.1
174.06725	2.7
177.05484	3.0
181.04951	100.0
181.08559	54.3
181.10101	4.5
182.05241	4.5
182.07176	2.3
183.07919	2.5
189.09134	8.6
191.06978	4.0
191.10664	2.8
193.08582	97.9
194.09096	5.4
195.08081	4.5
195.10075	3.2
197.05907	2.8
197.09595	5.4
201.09015	3.3
209.08060	52.7
209.09924	2.4
210.06703	3.7
210.08640	6.8
211.07474	2.9
212.08310	2.6
219.10080	6.9
221.11745	12.0
224.08310	2.4
225.09059	4.7
226.06178	2.4
227.06993	2.8
239.06984	2.2
240.07970	3.0
249.11174	10.8
251.10599	3.9
253.08493	5.7
255.06535	3.4
255.10229	5.5
256.10611	2.2
257.07968	3.7
257.11661	3.0
258.08960	2.8
259.09866	2.5
265.08536	2.9
265.12366	3.3
267.10062	3.6
269.08066	3.9
271.09692	6.7
278.09406	4.5
279.10049	4.9
281.11481	2.9
283.13290	4.5
285.07843	3.3
285.11200	9.3
286.11887	3.1
291.10236	3.3
293.11719	3.2
295.09747	3.6
297.98856	2.6
305.10239	3.7
309.11182	7.5
311.09271	3.0
311.12683	6.2
313.10635	8.0
326.11542	3.3
327.11917	3.3
329.10110	3.0
337.10504	4.4
341.13794	13.2
342.14661	2.7
343.15424	19.6
345.13187	9.7
353.13837	4.4
369.13214	40.2
370.13712	7.8
371.14813	22.5
373.16199	2.5
377.45709	2.3
383.14777	3.2
385.16278	10.1
389.12314	3.3
397.16385	3.4
401.15930	18.5
403.17499	30.9
404.17761	3.1
551.22473	38.2
552.22614	4.2
579.22192	10.6
611.24365	3.7
713.82690	2.6
840.41858	19.0
841.43188	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05016	2.1
61.02916	5.0
65.03934	5.8
66.50768	1.8
67.05504	99.7
68.05799	2.1
69.01866	13.9
69.03428	19.5
69.07067	67.3
69.07446	3.2
69.13251	1.7
70.07399	2.1
71.04991	25.3
72.64220	1.6
73.02911	7.1
79.05493	92.9
79.63036	1.7
80.05766	2.1
81.03413	25.6
81.07057	100.0
82.07380	2.4
83.04972	15.3
83.08621	17.6
85.02915	11.2
85.06542	7.4
87.06709	1.8
91.03983	1.9
91.05476	69.2
93.07043	91.9
94.07362	2.1
95.04970	20.6
95.08603	63.8
96.08916	2.5
97.02900	9.2
97.06530	89.7
97.10168	7.2
99.04442	3.6
99.08095	6.6
102.61926	1.7
103.05470	2.3
105.04505	3.8
105.07030	48.2
106.85989	1.6
107.04954	11.9
107.08588	46.3
108.08862	1.8
109.02870	4.2
109.06519	22.3
109.10152	23.7
111.04427	2.2
111.08115	8.8
111.49192	1.7
113.05992	4.3
115.05453	4.1
115.07561	31.8
117.07005	25.2
119.04980	2.2
119.08578	30.4
120.08890	1.7
121.06527	8.5
121.10149	29.3
123.08054	8.9
123.11689	10.9
125.06065	2.3
125.09674	3.3
127.03892	6.4
127.07548	2.0
128.06233	5.3
129.05531	2.1
129.07002	12.6
131.08574	32.1
133.06467	5.9
133.10123	26.3
135.08037	14.7
135.11688	19.2
137.09598	6.1
141.06995	3.6
142.07753	4.2
143.08539	8.4
145.06488	3.4
145.10118	21.5
147.08057	6.8
147.11649	16.0
149.06038	1.8
149.09619	7.5
149.13246	14.0
151.11192	4.7
155.08531	3.5
157.10114	12.3
159.08060	5.1
159.11691	18.5
161.09669	7.9
161.13243	8.2
163.11133	5.2
163.14870	2.5
165.09087	2.8
165.12758	3.7
169.10130	5.0
171.11649	6.1
173.04471	6.4
173.09700	2.5
173.13200	9.0
175.11214	3.2
175.14818	3.5
177.12753	6.1
181.10182	1.7
183.11681	2.7
183.46593	1.7
185.13275	5.6
187.11270	4.1
187.14777	3.8
189.12723	2.3
193.12209	2.6
193.49489	1.6
194.54776	1.7
195.11836	2.3
195.13792	4.4
197.13228	2.3
199.14828	5.1
201.07579	2.4
201.16377	2.6
203.14310	2.3
205.12224	2.0
211.14862	2.3
217.15919	11.1
219.13794	3.3
221.15375	2.9
227.17998	3.7
229.14333	2.0
233.15451	4.0
235.16808	1.7
237.16565	2.2
243.21107	3.6
245.19063	5.6
247.16681	1.7
253.14256	2.9
255.17540	3.0
259.20618	2.4
261.22180	10.8
263.20041	2.8
267.15912	7.4
269.17361	14.7
273.18481	37.1
275.20004	1.9
287.19952	2.0
291.19534	17.2
307.19037	2.7
318.07474	1.6
329.21127	1.9
333.24103	2.5
335.25793	82.9
336.26108	7.8
347.22171	14.4
365.23242	10.2
515.37085	3.0
527.37238	4.1
529.38873	28.0
530.38611	5.0
545.38409	2.5
607.43390	4.1
625.44623	16.9
626.44159	3.1
643.45355	6.5
841.46271	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	840.5461
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	3.4
65.03947	6.5
66.04760	1.5
67.05505	100.0
68.05826	3.8
69.03429	19.4
69.07070	56.0
69.21539	9.6
69.21958	3.4
71.04988	20.8
73.02921	4.3
77.03906	2.0
79.05495	86.7
80.05830	2.5
81.03415	22.4
81.07058	95.8
82.07391	3.2
83.04980	16.9
83.08610	14.2
84.05317	1.8
85.02564	1.2
85.02911	12.4
85.06539	4.7
90.32922	1.6
91.05477	62.6
92.05806	2.3
93.07046	88.6
94.07384	2.2
95.04969	16.2
95.08608	56.2
95.09219	3.0
96.08932	1.7
97.02915	13.1
97.06532	77.7
97.10159	5.8
98.23291	3.2
99.04460	5.6
99.08075	4.7
105.04537	4.0
105.07034	42.6
107.04965	10.5
107.08592	41.8
107.09265	3.1
108.08929	2.3
109.02895	4.7
109.06515	16.9
109.10149	26.5
111.04446	2.9
111.08090	5.5
115.05429	1.6
115.07573	24.9
116.06254	1.7
117.07018	22.3
119.04992	1.7
119.08591	32.6
121.06483	8.5
121.10151	28.3
122.10463	1.7
123.08077	8.0
123.11708	6.4
125.09642	4.4
127.03936	7.0
128.06227	3.0
129.05501	2.4
129.07008	12.0
129.51241	1.4
131.07042	1.7
131.08557	26.7
133.06503	6.8
133.10138	26.2
135.08058	9.8
135.11690	15.0
137.09621	3.6
141.07042	2.1
142.07759	2.8
143.08533	10.3
145.04930	2.6
145.06474	4.1
145.10120	17.9
147.08014	8.3
147.11703	9.7
149.09612	7.3
149.13242	12.1
151.07681	2.0
151.11166	4.7
153.09117	1.9
153.12810	1.6
157.10110	8.9
159.08029	4.4
159.11694	14.1
161.09605	6.4
161.13274	7.4
163.07497	2.0
163.11203	3.6
163.14827	2.5
167.08464	1.7
169.10133	3.6
171.11693	6.2
173.04466	6.7
173.09601	1.9
173.13271	7.0
175.11111	2.2
175.14851	2.8
177.12770	5.2
181.10121	1.6
183.11646	3.0
184.42119	1.6
185.13310	5.7
187.11137	2.8
187.14751	3.1
195.13763	4.7
197.13293	2.4
199.14857	3.3
201.07716	2.5
217.15857	9.1
227.17914	2.9
233.15437	2.4
241.19691	2.6
242.99217	1.5
243.21039	3.8
245.19041	3.7
253.14337	3.3
255.17499	4.5
257.18994	1.9
259.20636	1.9
261.18802	2.1
261.22186	10.1
267.16019	2.0
269.17410	10.7
273.18512	29.5
274.18884	2.9
275.20157	3.3
284.16061	1.8
284.20190	1.7
289.18069	2.7
291.19553	15.5
299.17084	1.7
307.19064	1.9
333.24274	2.4
335.25809	87.8
336.26257	9.0
337.26483	2.0
347.22318	7.7
365.23053	10.1
383.24100	2.1
492.56076	1.7
515.37408	2.8
529.38763	20.6
530.38989	2.5
607.43402	4.8
625.44482	18.5
643.45227	4.0
728.29224	1.8
840.54480	2.9
841.46375	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	840.5459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04998	1.7
61.02925	4.9
64.99057	1.5
65.03939	6.0
67.05502	100.0
68.05807	1.8
69.03436	7.5
69.06721	4.0
69.07085	53.1
69.07420	11.7
71.04996	6.0
73.02932	2.0
73.52191	1.5
79.05490	71.8
81.03416	8.7
81.07053	77.0
83.04977	5.0
83.08618	15.0
85.02895	4.5
85.06543	2.9
88.31472	1.5
91.05478	57.7
93.06447	4.2
93.07043	82.2
95.04940	10.3
95.08603	59.7
97.02902	4.7
97.06534	15.3
97.10182	7.6
98.23275	3.5
99.08106	2.9
103.05448	2.1
105.07026	52.3
107.04969	7.0
107.08589	36.6
109.02843	2.5
109.06532	4.4
109.10149	39.3
111.08098	5.9
115.07601	3.1
117.07016	15.9
119.08577	35.3
119.09412	2.4
121.06506	4.3
121.10136	23.4
123.08072	6.8
123.11693	4.8
125.09624	7.6
127.03894	1.9
129.05515	1.7
129.07036	4.3
131.08556	23.0
133.10130	23.1
135.08066	3.4
135.11664	16.9
137.09599	11.9
141.06981	2.1
143.08577	6.9
145.06573	2.4
145.10110	15.4
147.08054	2.2
147.11694	15.4
149.09627	14.8
149.13272	7.4
151.11153	2.5
155.08551	1.9
157.10155	5.3
159.11685	14.7
161.09682	2.0
161.13287	9.0
161.36684	1.8
163.11189	5.1
163.14911	3.3
167.10745	1.9
169.10117	3.7
171.10262	1.8
171.11658	4.0
173.11760	6.1
173.13281	9.6
175.11151	3.2
175.14854	3.7
177.12769	2.3
179.14363	3.5
183.11819	2.4
185.13315	4.2
187.11133	2.4
187.14861	4.3
189.11267	2.5
193.12360	2.3
223.13268	3.1
227.12827	4.2
229.14320	6.3
239.17847	2.0
257.19034	6.9
259.20520	2.0
261.22122	7.7
265.11642	1.8
275.20029	27.6
276.20349	2.1
281.00150	1.8
291.19534	3.5
293.21146	3.9
317.24823	1.9
318.50488	1.8
335.25793	61.9
336.26154	2.8
349.23709	28.1
431.31409	6.1
485.35455	2.1
489.35684	12.2
513.39252	5.7
515.37000	3.0
529.38965	2.4
609.45197	29.4
610.45135	5.6
627.46033	3.2
657.65948	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04988	2.1
61.02923	7.6
61.10451	1.4
65.03938	6.7
67.02023	1.4
67.05506	100.0
68.05814	2.3
69.03428	5.5
69.07070	61.8
69.21883	11.4
69.22292	3.1
69.65297	1.7
70.07417	1.6
70.65437	1.3
71.05002	8.6
73.02943	2.2
79.05491	78.1
81.03410	10.4
81.07056	83.9
82.07399	2.1
83.04977	5.2
83.08619	13.4
85.02900	4.4
85.06530	4.4
91.05481	64.9
93.06446	3.5
93.07043	71.8
95.04958	13.9
95.08604	67.5
96.08915	2.8
97.02890	5.0
97.06538	14.8
97.10184	8.2
99.08090	2.7
105.04517	3.5
105.07034	43.9
107.04966	8.3
107.08593	40.2
107.09340	1.7
109.06509	5.4
109.10162	34.0
111.08095	4.5
113.09682	2.3
115.07565	1.6
117.07029	18.4
119.08585	33.0
119.21532	1.4
121.06501	3.9
121.10152	27.5
123.08044	4.4
123.11686	5.7
125.09651	8.3
127.03936	3.0
129.05518	2.3
129.06987	7.3
130.23228	1.5
131.08571	18.9
132.08896	1.9
133.06554	1.5
133.10124	25.0
135.08023	3.8
135.11688	16.6
137.09595	9.5
137.13255	2.0
143.08537	5.8
145.06516	1.8
145.10132	19.5
147.07945	2.4
147.11691	17.0
149.09618	17.5
149.13260	7.7
151.11217	2.6
157.10072	5.0
159.11687	16.0
161.09564	2.2
161.13248	11.5
163.11218	8.1
163.14757	2.7
169.10194	2.9
171.10304	1.6
171.11710	6.6
173.11711	5.2
173.13271	9.4
175.11165	2.3
175.14868	3.7
179.14246	4.2
183.11687	3.8
185.13278	2.8
187.14830	4.0
189.11240	2.8
197.13336	2.1
227.12842	5.5
229.14389	5.9
229.19440	3.4
239.18150	1.9
243.21005	2.3
247.20586	3.9
249.96695	1.7
257.19019	5.4
259.20364	2.6
261.22198	9.5
275.20081	31.3
277.21759	1.9
291.19534	5.1
293.21100	5.7
317.24911	3.0
335.25803	59.3
336.26147	5.5
337.27487	2.3
349.23746	37.2
350.24042	1.9
431.31607	4.3
489.35800	15.1
513.39252	6.8
515.37274	2.8
534.18488	2.1
557.38031	2.0
609.45135	30.2
610.45441	3.3
625.44202	2.2
627.46021	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	841.5902
Annotation	Unknow
Peak:m/z	Relative Intensity
61.94644	0.6
68.91035	0.7
69.07082	1.0
71.33759	0.8
81.07068	0.8
82.07799	0.8
84.08140	48.1
85.08503	1.0
86.09703	100.0
87.10042	1.4
91.05502	1.0
98.09706	1.2
103.05494	1.1
105.07069	1.7
120.08099	20.3
124.57223	0.7
129.10239	41.3
130.10658	0.9
137.06036	0.8
152.14461	2.5
154.15906	8.6
167.07158	2.1
169.17093	0.7
172.85846	0.8
182.15434	0.8
188.14438	3.4
195.10194	0.9
197.16556	5.1
199.18048	33.8
200.18463	1.3
207.15022	1.6
209.08220	1.2
209.45956	0.7
214.19104	1.2
224.17696	3.4
227.17532	31.0
228.18033	1.5
231.15025	0.9
233.16461	4.9
252.17101	1.2
261.15936	4.3
267.24258	4.1
276.17065	5.3
295.23926	3.2
301.22958	3.0
329.22409	2.8
337.26144	0.9
340.25943	11.9
371.24356	1.0
374.24393	2.3
389.25171	4.3
405.53745	0.8
425.34677	3.6
453.34406	8.6
487.32770	4.8
502.33942	1.5
521.40387	1.3
538.43469	1.7
539.27832	0.8
547.36938	0.9
555.39203	1.5
566.43073	4.1
572.41833	1.5
581.44348	1.8
600.41083	5.7
615.42670	2.5
623.33795	0.9
685.49786	1.4
713.49719	3.2
728.50818	2.4
813.60181	2.0
823.57605	2.7
841.59119	28.1
842.59637	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	842.395
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	1.2
69.98343	4.0
79.05473	3.5
81.07040	1.8
86.09669	1.4
91.05476	4.0
93.07020	1.1
95.04995	1.3
96.89256	1.1
103.05438	5.2
105.07014	14.9
107.04951	24.0
107.08554	1.2
115.05433	3.6
120.05708	1.2
121.06509	4.7
123.04383	5.5
124.05180	1.6
131.04857	1.4
133.06487	12.2
135.08035	11.8
137.05986	4.7
139.07497	1.4
147.04361	1.3
149.05966	3.6
150.06802	1.9
151.03928	1.1
151.07446	1.3
152.04758	1.4
153.05449	1.5
161.05928	7.6
163.07535	15.6
165.05432	5.6
165.09077	3.4
166.06247	4.6
167.07030	64.2
168.07384	2.4
177.05278	1.0
179.06934	1.3
180.07791	4.2
181.04922	3.6
181.08580	7.6
187.75516	0.9
191.07074	1.4
193.08595	81.5
194.09108	1.7
195.10155	100.0
196.10483	3.6
209.07983	1.2
210.08800	1.6
211.09683	2.2
221.11800	1.2
239.12752	8.3
328.24124	1.1
403.17374	2.8
502.91672	1.0
732.48895	1.1
842.47937	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03923	2.9
67.05488	2.4
67.05836	0.5
69.03403	0.6
69.07051	1.4
69.51895	2.9
71.11874	0.5
78.48388	0.5
79.05488	5.8
81.07045	1.0
82.04181	1.1
83.04952	1.1
85.02917	1.1
86.09675	0.7
91.05471	4.9
92.06256	0.5
93.03378	2.0
93.07019	2.2
95.04965	3.4
95.08615	0.7
97.06509	0.9
103.05450	4.9
105.07023	24.5
105.07723	1.2
107.04949	5.9
107.08623	0.7
108.05750	0.7
109.06518	1.3
109.10156	0.9
110.03636	1.7
111.04426	1.9
115.05434	2.1
117.07005	1.2
118.04157	3.3
119.04903	1.2
119.08566	1.3
120.05702	1.3
121.06493	5.5
122.03680	0.5
122.07287	0.8
123.04414	3.0
124.05174	1.2
124.76317	0.5
125.06003	2.4
128.06192	0.9
129.07021	3.2
131.04881	1.6
131.08568	1.1
132.05756	1.2
133.06482	19.8
133.10135	0.7
134.07198	0.5
135.04384	1.0
135.07997	3.1
137.05971	11.1
138.03094	0.7
138.06741	1.4
140.04665	0.8
142.02596	1.5
143.08522	1.7
145.06473	1.2
145.10100	2.0
146.07242	1.0
147.08041	1.1
148.05164	2.5
149.05943	1.4
150.06769	7.9
151.07582	3.4
153.05440	4.3
153.06583	0.6
155.07031	0.6
157.06493	3.1
158.07246	1.8
161.06004	3.9
161.09569	3.1
163.03911	1.3
163.07533	1.9
165.05428	2.0
165.09111	28.5
166.09436	1.2
167.07036	11.8
167.08466	1.3
169.06468	0.6
171.06505	1.8
171.07994	1.1
173.06001	0.7
173.09633	4.1
174.06807	1.3
175.07538	1.6
177.05473	4.1
178.06206	2.4
178.07576	0.6
179.07010	1.6
181.04944	73.9
182.05292	2.5
182.07147	0.6
183.06584	0.7
183.07953	0.8
184.05177	1.3
184.07321	0.9
187.14857	0.6
189.09097	9.6
190.09515	0.7
191.06999	2.6
191.08603	0.7
191.10681	2.0
192.07719	0.8
193.08591	100.0
194.09023	4.2
195.08047	1.8
195.10132	2.8
196.08847	0.8
197.05887	0.8
197.09651	0.9
198.06772	0.7
199.07503	1.2
201.05449	1.9
201.09100	8.1
205.04735	1.2
205.08612	0.7
207.06458	1.3
207.08228	0.7
207.10132	1.6
208.08786	1.2
209.06306	0.5
209.07970	2.8
210.06749	1.4
210.08765	0.6
211.07458	1.8
212.08272	1.8
213.09079	0.7
214.09740	0.6
216.11430	10.0
217.08554	2.7
219.10210	1.4
219.42638	0.5
221.11707	21.0
222.12163	1.4
223.07492	1.1
223.11188	1.3
224.08313	0.6
225.05580	0.7
225.09073	1.8
225.11153	14.8
226.06094	1.3
227.07045	1.6
227.10635	2.3
227.68614	0.7
228.07759	0.8
229.04948	1.1
229.12230	0.8
233.09586	0.8
233.11560	3.5
235.07506	0.9
235.09613	2.1
237.09018	1.1
239.06926	1.1
240.07809	0.8
241.08571	1.2
241.12151	1.2
243.10159	0.9
244.07423	1.0
247.09731	1.1
249.08890	1.1
249.11235	11.7
250.09785	0.6
251.10515	1.1
251.12923	2.4
252.08157	0.5
253.08643	1.3
254.05696	1.0
255.06419	1.4
255.10136	1.5
256.07361	1.0
256.11121	0.7
257.04492	1.1
257.07922	1.2
257.11719	1.6
259.09723	2.5
259.13275	6.6
261.09082	0.7
263.06949	1.1
264.07739	0.7
265.08682	1.6
266.09293	0.7
267.10016	1.2
268.11038	0.7
269.11655	0.9
270.08804	1.8
271.06250	1.1
271.09625	3.9
272.06747	1.7
272.10168	0.8
277.08450	0.8
277.14362	2.7
278.09360	1.1
279.10114	1.9
281.08170	1.0
281.11575	0.6
283.09555	1.2
283.13229	1.8
285.11124	4.5
286.08438	0.7
287.09128	4.2
287.12698	2.9
291.10266	1.0
293.11505	0.7
294.08746	0.8
295.09692	1.7
295.13174	0.6
296.10535	0.9
297.11359	0.9
299.09064	0.8
300.09839	1.1
301.10736	0.7
305.08109	0.8
307.09509	0.8
309.11139	2.2
311.09222	1.1
311.12772	2.5
312.13644	0.7
313.07318	0.6
313.10672	2.5
314.11520	0.7
315.08618	3.0
315.15695	0.9
321.11246	0.9
323.09033	1.0
327.12192	1.6
337.10678	1.6
339.12027	0.8
341.13837	2.0
343.12448	0.4
343.15396	10.7
344.15521	0.7
345.09692	0.9
353.14005	1.0
355.11777	3.8
367.15402	1.4
369.13339	8.9
371.14859	17.8
372.15375	1.0
373.16357	2.1
383.14389	0.8
385.16373	2.1
387.17819	1.0
399.18146	1.1
401.15921	9.5
402.16531	2.5
403.17532	14.4
404.17941	1.0
409.16367	1.2
413.19568	2.3
427.17569	2.2
431.20709	2.4
509.07239	0.6
521.21759	2.7
549.21021	2.8
553.24506	1.0
570.19366	0.6
595.24908	3.1
596.25128	0.6
596.90741	0.6
783.63635	0.6
841.54974	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.5103
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	9.9
67.05505	19.1
69.03409	4.8
69.07058	8.9
71.08631	11.9
71.33714	1.5
73.02905	4.9
79.05499	12.0
81.07047	17.0
83.05001	2.5
83.08617	19.2
85.02888	10.3
85.06532	1.4
85.10174	8.7
86.09702	1.3
91.03954	7.6
91.05469	3.5
93.07048	7.6
95.08601	14.2
97.02896	5.7
97.06564	1.6
97.10168	52.0
99.04414	1.3
105.07048	2.7
107.08585	17.3
109.10159	10.3
111.08079	1.5
117.07007	1.9
119.08591	1.9
121.10113	2.7
123.11639	1.7
125.09627	52.1
127.03880	1.6
131.08545	2.5
135.08015	6.4
143.10718	3.1
145.04967	3.6
153.09113	3.3
163.05963	4.4
171.10181	5.1
184.07381	2.7
189.09488	1.9
189.11203	32.8
190.11522	1.5
227.12756	100.0
228.13136	4.4
229.81937	1.5
237.11501	1.5
244.09711	1.4
245.13835	96.4
246.14162	4.3
257.24771	1.8
313.27341	69.4
314.27603	4.5
483.36774	59.6
484.36880	6.4
530.18390	1.3
583.37976	1.3
735.10773	1.5
842.59015	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.5616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05001	2.1
61.02931	2.5
62.53925	1.2
65.03940	4.3
67.05503	100.0
68.05840	1.6
69.03411	3.3
69.07066	19.6
69.25264	11.0
71.04979	5.0
75.98429	1.3
77.03925	1.4
79.05492	51.6
79.05956	2.6
79.77769	1.3
81.03407	2.3
81.07055	71.3
83.04983	4.4
83.08615	12.3
85.02916	2.4
85.06535	4.0
86.09699	5.8
91.03918	1.5
91.05480	32.2
93.07046	51.1
94.07362	1.5
95.04964	6.0
95.08602	44.6
97.02908	2.2
97.06524	8.0
97.10162	9.0
98.23338	2.9
99.08091	2.1
105.07025	26.4
107.04904	3.8
107.07845	1.7
107.08588	38.5
109.06526	5.4
109.10155	50.2
109.10902	2.5
110.10497	1.8
111.08071	5.1
117.07009	9.3
119.08584	19.6
121.06520	2.3
121.10141	18.2
123.08060	3.1
123.11716	6.1
125.00033	4.6
125.09631	5.8
129.06982	2.0
131.08554	16.1
133.10112	15.0
135.08020	3.5
135.11696	17.0
137.09608	5.2
139.11136	2.2
143.08441	2.4
145.02840	2.7
145.10126	11.3
147.11665	11.0
149.09610	5.2
149.13237	9.9
155.10641	3.6
157.10121	2.4
159.11696	9.5
161.13298	7.8
163.11186	3.0
163.14877	2.3
169.10132	1.9
171.11703	3.4
173.11734	10.3
173.13264	8.2
175.11095	1.5
177.05461	3.8
183.11717	2.1
184.07336	14.6
185.13258	2.1
187.14836	2.7
189.11229	2.7
199.14789	2.1
201.01649	1.4
201.16269	1.9
213.16577	1.7
215.17931	1.8
218.21454	1.3
227.12732	9.9
229.14348	44.2
229.19308	2.2
235.17155	1.6
239.17844	2.2
243.21040	4.4
257.19000	5.5
261.22162	14.1
269.17496	13.5
271.20129	1.2
275.20090	25.0
293.21042	5.0
309.20660	1.8
310.86121	1.5
317.24805	3.0
335.25775	75.0
336.26318	6.4
349.23758	15.5
367.24829	12.4
419.24396	1.4
431.30899	1.5
434.62344	1.3
471.35226	1.6
483.25247	1.7
489.35764	25.2
490.36224	2.4
507.36591	4.1
529.38806	24.7
530.38904	2.4
569.41962	5.4
609.45068	21.1
610.45209	2.7
627.46021	17.2
628.46375	2.8
843.48499	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	843.3977
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	6.6
62.60236	0.3
64.56657	0.4
67.05504	4.1
69.03429	4.1
69.07071	1.1
71.04993	0.7
73.02917	5.0
79.05491	2.7
81.03410	4.1
81.07053	5.6
82.17371	0.3
83.04978	0.9
83.08627	1.0
85.02902	7.8
85.06554	0.5
85.60415	0.4
87.04485	0.6
91.03967	4.0
91.05484	2.7
92.05882	0.4
93.07037	3.4
94.07375	0.3
95.04980	1.6
95.08618	1.6
97.02894	8.1
97.03497	0.6
97.06580	0.8
99.04469	1.3
100.55437	0.3
101.02386	2.2
103.03973	0.6
103.05463	0.6
105.07043	2.0
107.04958	0.4
107.08609	1.8
109.02909	1.4
109.10158	0.6
111.08065	0.9
115.05473	0.5
119.08585	0.9
121.10192	1.9
123.04430	0.4
127.03914	2.5
129.06992	0.5
131.08597	1.1
133.06502	0.8
133.10147	1.1
135.11716	0.5
137.06003	0.9
145.04982	0.6
147.11719	1.0
149.13246	1.7
153.01915	0.4
157.10143	0.6
159.11723	1.0
161.06004	0.9
165.09222	0.4
175.07533	0.4
185.04248	0.9
193.12350	0.6
195.13773	0.5
203.05438	0.6
235.13136	0.9
243.08409	2.9
246.69849	0.4
251.12624	0.9
267.10223	0.6
269.17654	0.6
285.11273	0.5
291.15802	1.0
307.09552	0.7
307.15387	0.4
347.09439	1.9
363.09293	0.5
365.10678	0.7
388.75201	0.4
397.25653	0.5
405.13721	5.8
421.12885	0.5
453.20908	10.0
454.21283	0.8
469.20410	6.3
470.21091	0.5
559.31488	0.5
563.70990	0.5
580.07959	0.4
611.00269	0.4
615.26135	8.6
631.25543	3.3
632.26831	0.4
681.34302	2.6
843.39832	100.0
844.40247	12.4
864.58215	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.3983
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	6.1
67.05511	2.9
69.03432	4.6
69.07085	1.2
70.36933	0.3
71.05005	1.0
71.87852	0.3
73.02927	4.4
79.05497	2.6
81.03421	4.1
81.07070	4.2
83.04984	1.0
83.08631	1.2
85.02907	8.4
85.03419	0.5
86.57863	0.4
88.65866	0.3
91.03947	4.0
91.05478	2.7
93.07052	2.5
95.04991	1.3
95.08620	1.2
97.02901	6.8
97.03495	0.5
97.06519	0.4
99.04483	1.2
101.02401	2.0
103.03986	0.7
105.07037	1.9
107.04952	0.8
107.08570	1.7
109.02915	1.1
109.10192	0.7
111.08083	0.5
115.03952	0.8
117.06989	0.6
119.08607	1.2
121.10175	1.1
123.04465	0.7
127.03914	2.1
129.06998	0.7
131.08614	1.1
133.06558	0.4
133.10161	1.3
135.11734	0.5
137.06009	0.6
137.09660	0.5
138.54144	0.4
147.08197	0.5
147.11725	0.9
149.13281	1.1
153.01801	1.8
157.10191	0.8
159.11711	0.8
161.06017	0.8
163.03987	0.3
185.04259	0.8
193.12233	0.9
195.13898	0.4
203.05321	0.9
211.13324	1.0
229.08926	0.7
235.13194	1.0
243.08398	2.1
245.58324	0.3
251.12587	0.6
269.17453	0.7
286.11816	0.4
291.15778	0.4
307.15280	0.8
347.09442	2.1
363.09116	0.5
365.10583	0.8
405.13687	4.7
453.20959	6.2
454.21368	0.4
469.20480	7.5
469.26508	0.6
470.20752	0.6
615.26093	4.7
631.25665	6.9
631.36011	0.5
632.26569	0.5
681.34467	2.5
682.35059	0.4
843.39795	100.0
844.40076	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	843.4861
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	12.8
65.30916	1.1
67.05503	12.1
69.03433	6.3
69.07081	4.2
71.01344	1.1
71.05001	1.2
72.15498	0.9
73.02915	10.7
79.05486	9.3
79.50545	0.9
81.03435	5.1
81.07049	12.7
81.07487	1.2
83.04996	2.5
83.08628	4.3
85.02898	13.5
85.06593	1.5
86.09715	2.1
91.03951	8.4
91.05483	6.4
93.07039	10.2
95.04974	2.1
95.08609	7.9
97.02897	11.6
97.06526	1.3
97.10155	2.1
99.04480	2.2
101.02412	4.1
105.07034	3.6
107.08590	6.3
109.02910	2.1
109.10204	4.3
111.08068	2.2
119.08543	4.8
121.10149	5.3
123.11716	2.3
127.03923	5.1
129.05505	2.3
131.08583	2.2
133.10178	2.9
135.11739	3.6
145.05013	1.4
145.10139	1.5
147.11697	1.8
149.13258	1.1
153.12732	1.8
163.11267	1.8
184.07378	5.4
185.04225	5.7
201.03812	1.4
203.05301	1.4
217.08746	0.9
221.11636	2.4
229.20235	1.3
243.08344	8.7
251.12624	1.5
301.08920	9.6
315.10471	5.3
335.26041	3.4
336.26581	1.0
341.11942	1.2
343.13779	1.4
347.18311	2.1
355.13666	2.0
357.15390	1.1
369.15323	4.6
371.17047	2.6
373.11298	4.6
385.18588	3.1
387.12585	1.3
429.17542	2.4
439.19376	9.6
451.19379	1.4
465.20966	1.4
467.18585	6.0
469.20804	3.1
519.29297	31.4
520.29700	4.9
533.27344	1.4
535.28668	1.7
578.30420	2.0
591.31177	6.1
633.36353	2.5
647.37677	5.0
662.40460	1.8
717.41693	13.1
718.41968	1.8
729.41626	2.0
731.43073	2.5
745.41260	71.6
746.42010	100.0
747.42188	15.1
757.41467	4.5
843.48499	84.8
844.48993	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	844.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
62.31842	0.6
67.05505	1.1
68.71825	0.5
78.04690	0.7
79.05090	0.6
79.05496	3.5
79.28811	0.6
91.05484	3.9
93.07030	1.3
95.04954	1.7
95.08569	0.8
98.23331	0.9
103.05468	5.1
105.07021	12.7
107.04954	28.2
107.08556	0.9
109.06501	0.7
115.05430	2.6
117.07015	1.1
119.04913	0.9
119.08668	0.6
120.05741	0.7
121.06555	1.4
123.04402	3.4
124.05235	0.9
125.05969	1.0
131.04872	1.3
132.77281	0.6
133.06482	8.7
135.04390	1.0
135.08046	11.5
135.72757	0.6
137.05952	4.3
143.06001	0.8
145.07608	0.8
147.08061	1.5
148.05200	1.2
149.05963	3.0
152.04704	1.0
153.05434	1.5
154.06239	2.1
161.05960	7.2
163.07533	16.0
165.05475	3.8
165.09100	2.5
166.06245	2.4
167.07030	50.3
168.07376	2.0
178.06201	0.7
178.09862	0.9
179.07018	0.9
180.07799	3.7
181.08536	1.9
191.06972	3.0
192.07828	1.8
193.08588	48.8
194.09056	2.1
195.10155	100.0
196.10548	3.5
205.04750	4.0
210.08859	1.5
211.09636	1.3
221.11732	6.4
225.11217	1.6
228.73230	0.6
231.37999	0.6
239.12775	7.4
252.24081	0.6
372.03363	0.7
385.16458	1.3
403.17456	1.4
425.15259	0.8
439.17276	2.4
460.49634	0.7
597.26672	2.1
636.25317	3.3
845.33215	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	844.4683
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	1.5
65.03944	1.4
67.05504	19.1
69.03426	4.6
69.07066	9.5
71.04997	2.3
71.32540	1.6
71.32918	1.4
73.87764	1.3
79.05483	8.7
81.03401	2.6
81.07055	23.3
83.08622	3.0
85.02910	11.9
87.52512	1.4
88.83154	1.2
91.05463	10.0
93.07042	19.9
95.04964	1.8
95.08605	32.2
95.09206	1.8
97.02886	6.8
97.06487	1.7
97.10177	2.1
103.05473	1.5
105.07021	20.1
107.08576	25.2
107.09241	1.7
109.02907	2.1
109.06533	1.6
109.10154	82.5
110.10503	1.9
111.08070	15.9
117.06981	6.2
119.08580	20.6
121.10145	18.9
123.04446	2.4
123.11684	6.9
127.03956	4.0
129.07007	3.0
131.08553	14.0
133.06458	2.0
133.10138	15.1
135.08165	1.9
135.11700	12.0
137.05984	4.2
137.09651	2.1
137.13228	2.9
139.11153	1.8
143.08548	7.3
145.10124	19.5
147.11670	13.3
149.05896	1.5
149.09581	1.6
149.13246	9.5
151.11139	1.7
153.01891	2.7
155.08569	3.0
157.10097	9.6
159.11705	17.4
161.09630	1.6
161.13254	10.9
163.07590	1.7
163.14848	6.2
165.09175	3.5
165.12769	1.8
167.07036	6.2
167.08348	1.4
169.10109	9.5
171.11707	14.4
173.09633	1.3
173.13252	16.0
175.07568	1.4
175.14827	8.6
177.16415	3.5
179.06935	1.4
181.10091	3.5
183.11655	6.3
185.13277	10.2
187.11237	1.3
187.14787	18.8
189.16368	5.6
191.17973	1.3
193.08603	5.7
195.11713	4.6
197.13257	6.2
199.14827	10.2
201.16370	14.4
203.14311	2.4
203.18004	3.0
205.15907	4.0
209.13281	4.7
211.14906	4.9
213.16335	7.6
215.17929	5.6
217.12302	1.5
217.15836	1.9
221.13252	2.2
223.14795	4.3
225.16371	6.7
227.17909	6.0
229.19521	3.0
233.15369	2.8
237.16383	4.8
239.17955	9.4
241.19450	6.2
245.15283	1.4
245.19037	3.7
247.17078	2.0
249.16351	2.7
251.17909	3.6
253.19540	4.7
255.21063	2.1
257.19171	2.3
259.16928	4.1
261.18555	1.9
265.19479	8.3
267.21158	5.1
269.22592	2.4
271.16956	2.2
271.20447	1.5
273.18555	3.4
277.19257	1.8
279.18414	1.8
279.21024	8.9
281.22662	3.0
283.17114	3.1
285.18579	3.7
287.20117	2.1
291.21393	1.6
293.22586	6.0
295.24026	2.7
297.18552	1.6
299.19989	2.9
305.22583	1.6
311.20041	5.0
313.21664	1.9
319.24307	2.2
325.21658	3.2
327.23181	4.5
335.27219	4.4
339.23077	4.7
341.24847	3.7
357.20505	1.4
375.30475	11.4
377.24225	1.3
379.26242	2.7
379.54196	1.5
381.27805	14.9
385.23709	4.1
393.31540	24.9
394.31647	2.1
403.29895	2.3
409.31287	3.2
411.32361	1.5
421.30981	54.6
422.31351	4.6
423.32495	5.5
427.28247	2.3
439.32040	100.0
440.32507	12.5
441.29544	1.4
449.30392	3.4
455.31268	1.9
457.33145	8.7
458.32925	1.4
467.31540	26.2
468.31619	2.3
485.32587	5.3
514.41724	1.5
547.28845	3.6
629.36469	3.9
657.20367	1.8
823.46790	1.5
844.40063	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
71.33494	1.8
81.07056	2.0
100.06435	1.8
118.07682	1.6
167.07024	4.1
198.45331	1.8
203.03200	2.7
203.06845	3.2
205.04710	100.0
206.05101	2.6
213.09001	2.4
216.07712	6.7
229.08467	2.3
258.42551	2.1
265.03604	1.9
273.11057	1.9
368.54065	2.2
421.16342	2.6
425.15704	2.1
427.17233	8.5
428.17859	1.9
436.49228	1.9
439.17126	17.4
442.16132	3.0
455.20410	7.0
474.15085	3.9
483.19998	8.6
635.24597	3.6
636.25464	38.4
637.26117	37.1
638.26215	4.5
701.66412	2.1
815.32190	3.5
845.33258	65.5
845.47235	2.6
846.33612	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	845.4772
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	1.1
63.53738	0.8
67.05521	2.9
69.03443	1.4
69.03922	1.7
69.04324	6.5
69.07083	1.4
73.02921	1.0
77.45427	0.8
78.71501	0.7
79.05519	1.8
80.63783	0.8
81.07069	3.5
85.02941	1.2
91.05510	1.2
93.07061	1.6
95.08629	2.4
97.02877	1.7
97.25012	0.8
101.02361	0.8
101.25793	0.9
107.08593	1.7
114.89638	0.8
121.10184	1.1
184.07466	3.2
223.93091	0.9
242.50505	0.9
519.29321	2.3
535.26990	1.3
543.24933	0.9
717.41791	6.8
747.40466	1.5
759.41492	1.7
790.73499	1.1
827.48187	1.3
845.48187	100.0
846.48553	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	845.5012
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	5.1
62.98267	0.4
67.05502	7.7
68.68318	0.3
69.03429	3.5
69.07069	2.0
71.01350	0.5
71.05006	1.0
72.16473	0.3
73.02912	3.7
79.05490	4.0
81.03392	2.2
81.07056	6.3
81.07518	0.6
81.80229	0.3
83.04971	0.7
83.08611	0.8
85.02909	4.6
85.06546	0.5
86.09711	0.6
86.19489	0.3
87.04462	0.6
91.03954	2.6
91.05470	3.0
93.07047	4.6
95.04958	0.7
95.08604	4.5
97.02892	4.6
97.06556	1.1
97.10167	0.5
99.04462	0.8
101.02382	1.5
105.07033	2.4
107.05001	0.4
107.08586	2.9
109.02917	0.7
109.10143	2.5
112.33483	0.4
115.03927	0.4
117.07047	0.5
119.08595	1.3
121.10104	2.0
123.11719	0.6
125.00035	0.6
127.03932	1.1
127.07298	0.4
131.08560	0.7
133.10191	1.2
135.11711	1.5
137.09676	0.4
138.38213	0.3
145.10147	1.1
147.11702	0.7
149.13257	0.4
161.13281	0.4
163.11121	0.3
163.14763	0.4
184.07336	3.5
185.04192	0.4
203.05360	0.4
225.59550	0.4
228.90556	0.4
237.84384	0.4
243.08258	1.7
335.26022	0.7
337.27313	0.4
349.19824	7.4
439.19345	0.8
519.29346	5.5
520.29004	0.7
567.27716	2.5
591.31073	0.4
746.40936	0.5
747.41852	2.0
748.42194	2.8
755.36127	0.4
845.50110	100.0
846.50470	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	847.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
70.61552	0.8
71.33618	1.0
72.26012	0.8
81.07063	0.9
86.09675	1.5
90.42369	0.8
95.08601	1.5
111.15055	0.7
112.37278	0.9
145.53133	0.9
165.77074	0.9
166.42763	1.0
167.07086	1.6
176.04442	1.9
184.07419	1.1
189.05301	2.2
197.05858	0.9
201.05357	1.0
203.03265	1.0
204.04103	0.9
205.04712	47.2
206.05066	1.1
213.08978	2.7
216.07614	5.1
217.08336	0.9
229.08476	2.3
232.07045	1.2
237.07626	1.0
244.10846	2.2
263.12659	0.9
271.06512	0.8
284.95737	0.8
285.13480	0.9
396.15634	1.2
411.14658	1.8
421.16220	1.9
426.16501	2.4
427.17328	1.6
439.17377	6.6
635.24982	1.6
636.25208	1.3
637.26361	2.5
647.33881	1.2
748.69177	0.9
758.93561	1.0
847.34943	100.0
848.35132	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
67.30377	2.6
69.28657	18.0
72.93165	2.1
76.55673	2.0
76.77562	2.0
86.09717	2.6
101.09440	2.1
110.52295	2.3
125.92522	2.4
131.42818	2.1
149.02339	11.5
184.07433	4.3
189.05243	36.0
193.05043	7.1
202.06099	2.3
203.06790	3.0
205.04726	44.1
205.06508	3.3
216.07553	17.6
217.08440	6.0
229.08438	4.1
232.07213	5.0
233.07867	3.2
234.08597	25.2
237.07797	2.6
238.98950	2.7
316.41003	2.4
426.16907	2.6
427.17230	65.9
428.17847	5.4
429.11734	3.5
439.17435	5.3
441.18875	100.0
442.19345	8.6
446.96716	2.5
455.20844	3.4
457.18094	4.9
475.45795	2.5
485.21716	4.0
605.54742	2.9
638.26947	46.9
639.27515	11.8
737.32770	3.0
847.34943	96.5
848.35101	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	847.4654
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	5.4
67.05497	1.5
69.03426	3.4
69.07066	0.9
69.19318	0.9
69.19738	1.6
71.01337	0.5
71.08614	1.1
73.02909	3.6
73.97237	0.3
79.05479	1.5
81.03406	1.4
81.07068	2.3
83.08607	1.4
85.02902	5.3
85.10186	0.8
87.04472	0.5
91.03960	3.0
91.05444	0.4
93.07033	1.0
95.08609	2.0
97.02888	5.7
97.10162	2.6
99.04426	0.5
101.02384	1.8
103.03907	0.5
107.08593	0.9
109.02874	0.8
109.10146	0.8
111.08044	0.3
125.09610	2.3
127.03888	2.3
133.10095	0.6
137.13255	0.3
145.05067	0.3
184.07346	1.0
185.04225	1.7
189.11224	1.7
195.65594	0.4
203.05267	1.0
211.09317	1.6
243.08403	2.3
245.13756	0.5
267.12064	0.4
313.27444	0.9
347.09512	3.9
365.10306	0.9
405.13638	4.1
413.66855	0.4
429.17313	10.3
429.23175	0.5
430.17599	0.8
497.30893	4.8
498.31476	0.6
535.28644	0.4
591.22455	9.0
592.22986	0.7
659.35992	4.4
660.37280	0.4
685.41309	3.0
847.46515	100.0
848.46783	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	847.5168
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	4.7
67.05507	7.1
68.05934	0.4
69.03431	3.3
69.07068	2.7
71.05003	0.6
71.12573	0.4
71.31876	0.6
73.02921	3.0
79.05494	4.4
81.03428	1.5
81.07061	6.4
83.05026	0.5
83.08634	1.5
85.02916	5.6
85.10970	0.5
87.04462	0.5
88.37617	0.4
90.80040	0.5
91.03948	2.8
91.05469	2.9
93.07040	5.4
93.07517	0.4
93.42624	0.4
95.04974	0.8
95.08598	4.1
97.02896	4.9
97.06564	0.7
97.10179	1.1
99.04488	0.8
101.02394	1.9
105.07034	2.2
107.08576	2.6
109.02923	1.3
109.06582	0.5
109.10154	3.1
111.08105	0.4
117.07056	0.9
119.08617	1.7
121.10188	1.7
125.09602	1.0
127.03922	1.4
131.08594	1.3
133.10146	1.1
135.11713	1.5
145.10178	0.7
147.11732	0.5
153.05579	0.5
159.11726	0.7
173.11821	0.6
173.13313	0.5
184.07455	0.7
185.04308	1.0
243.08505	1.9
295.64136	0.4
313.27426	0.5
315.10617	0.4
335.25772	0.7
351.21442	2.1
519.29248	5.3
569.29236	7.6
570.29736	0.9
847.51715	100.0
848.52020	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.5
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05013	3.7
61.02928	10.6
65.03947	2.2
67.05506	100.0
68.05846	1.5
69.03439	3.1
69.07069	8.7
69.77525	2.4
71.05001	3.4
73.02911	3.4
79.05496	23.0
81.03440	1.2
81.07059	42.3
82.07404	0.6
83.04987	1.4
83.08623	8.6
84.08950	0.5
85.02908	12.7
85.06539	3.1
91.03961	7.4
91.05481	16.3
93.07045	28.1
94.07375	0.5
95.04967	1.8
95.08607	29.1
96.04511	0.5
97.02893	8.0
97.06543	1.5
97.10157	2.1
99.04471	1.3
99.08105	1.5
105.07027	8.5
107.08594	18.6
108.08923	0.5
109.02874	0.7
109.06526	0.9
109.10157	78.3
110.10488	1.9
111.08079	3.5
113.09634	0.5
115.03955	0.6
117.07046	3.1
119.08587	12.1
121.10145	12.6
121.97593	0.5
123.08091	1.1
123.11697	3.9
125.09606	2.3
127.03888	3.1
131.08568	6.6
132.33316	0.4
133.10135	6.2
135.09979	0.5
135.10757	0.7
135.11688	8.6
137.09605	3.7
137.13258	1.2
139.11176	0.5
143.08646	0.6
145.04948	3.5
145.10123	4.4
147.11693	4.5
149.13261	5.2
151.11215	0.6
151.14935	0.5
155.10657	5.6
156.72240	0.5
157.10031	0.6
159.11697	4.6
161.13263	2.8
163.06023	4.3
163.11238	0.5
163.14836	2.8
165.12663	0.4
173.11778	21.5
173.13255	4.1
174.12117	0.8
175.14857	1.5
177.12871	0.5
177.16405	1.1
184.07292	0.5
187.14780	2.4
189.11285	1.0
201.16470	0.9
227.12769	4.6
229.14349	86.9
230.14671	3.3
233.22586	0.8
243.21095	5.3
261.22141	19.2
262.22455	1.0
279.23230	0.9
317.24924	2.8
335.25800	72.1
336.26160	5.5
379.29807	1.4
397.31094	1.9
415.32053	1.1
471.34680	1.8
489.35748	66.5
490.36081	7.1
507.36905	5.1
633.39886	1.0
845.92566	0.6
848.51361	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4996
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05008	2.8
61.02929	12.4
61.03244	0.7
65.03944	2.7
67.05505	100.0
67.32710	0.5
68.05828	1.7
69.03432	2.8
69.06718	0.6
69.07074	7.8
71.04986	4.3
73.02911	3.7
77.03949	0.4
79.05493	20.3
79.05956	1.1
81.03439	1.1
81.07056	38.4
83.04979	1.1
83.08620	9.1
85.02902	13.3
85.06533	2.8
91.03961	7.7
91.05478	13.8
93.06448	1.1
93.07043	25.2
95.04961	2.2
95.08606	27.5
96.04498	0.7
96.08948	0.8
97.02885	7.0
97.06535	1.6
97.10162	2.5
98.23313	1.2
99.04470	0.9
99.08092	1.1
105.04489	0.5
105.07026	7.7
106.07374	0.6
107.08589	14.5
109.02907	0.5
109.06535	1.1
109.10155	75.6
110.10480	1.7
111.08084	2.5
113.09660	0.5
115.03927	0.4
117.07031	3.6
119.08582	10.7
121.10144	10.7
123.08047	0.5
123.11707	3.7
125.09592	0.9
127.03878	3.1
127.11189	0.5
129.07030	0.5
131.08582	6.0
133.10121	6.5
135.08052	0.7
135.11699	7.3
136.11932	0.5
137.09615	4.0
137.13278	1.1
139.11150	0.7
143.08551	0.7
145.04942	3.7
145.10112	4.2
147.11679	4.0
149.13245	4.7
150.96304	0.4
151.11099	0.6
151.14743	0.8
155.10667	4.6
157.10159	0.7
159.11690	3.7
161.13271	3.0
163.06023	3.9
163.14833	2.7
165.12741	0.5
173.11760	21.2
173.13239	3.2
174.13518	0.5
175.14830	1.1
177.12617	0.5
177.16354	1.1
184.07422	0.6
185.13206	0.6
187.14830	2.6
189.11223	1.5
201.16377	0.8
205.15889	0.6
213.14714	0.8
227.12762	6.4
229.14343	92.5
230.14674	3.7
233.22545	0.5
243.21091	5.2
259.20602	0.6
261.22144	17.5
262.22424	1.5
263.23810	0.6
279.23163	0.7
317.24738	3.2
335.25800	58.6
336.26129	3.0
379.29803	1.0
381.26889	0.5
397.30954	1.6
415.32025	1.4
433.33368	0.7
451.75748	0.5
471.34399	1.9
489.35776	39.8
490.36136	3.6
507.36743	4.1
627.91705	0.5
848.50409	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.366
Annotation	Unknow
Peak:m/z	Relative Intensity
61.35198	0.8
71.33064	1.4
71.33437	1.1
86.09705	1.1
105.07060	1.1
108.83738	0.9
175.03693	1.1
176.04440	5.3
189.05219	26.2
189.06868	1.7
202.06096	3.2
203.06909	3.3
205.04712	30.4
206.05185	1.5
216.07568	11.7
217.08372	7.2
218.05565	1.1
218.09154	0.9
219.06407	1.2
229.08226	1.0
229.74040	1.0
232.07133	3.3
233.07829	21.7
233.10156	1.2
234.08588	7.8
247.09344	7.3
248.53175	1.0
331.59424	1.0
361.91904	0.9
399.13989	1.1
413.15714	3.7
427.17178	7.6
428.18210	3.5
441.18799	16.1
442.19312	1.5
443.16898	3.1
444.17249	1.1
457.18106	1.6
621.25531	1.0
623.24927	1.6
637.26038	4.8
638.26996	2.4
849.36493	100.0
850.36646	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	851.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
69.16108	0.7
69.34362	2.9
69.34783	2.1
77.57868	0.7
82.29932	0.6
91.05509	0.9
97.75654	0.7
101.06423	0.9
107.71800	0.7
121.19986	0.7
137.06001	0.8
141.00119	0.6
145.06578	0.8
167.07072	1.6
175.03735	1.0
181.05000	1.3
189.05214	15.9
189.06802	1.0
201.05321	1.5
202.06018	5.0
203.06938	1.5
211.44830	0.7
215.06810	6.1
216.07565	12.9
217.08369	2.3
219.06334	2.6
229.08493	2.1
231.06447	1.7
232.07063	11.4
233.07860	9.5
234.08635	13.4
245.07800	1.1
247.09431	4.5
397.12430	0.8
399.14136	7.4
413.10217	1.3
413.15692	25.3
414.16251	1.9
425.15912	0.9
426.16452	1.6
427.17386	1.1
429.15054	3.3
443.16727	10.0
444.17264	1.5
457.18307	9.2
458.18848	0.8
471.20163	1.1
531.47284	0.8
609.23108	2.3
616.84930	0.8
623.24445	7.2
639.24249	2.9
654.26471	2.3
851.34473	100.0
852.34924	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	851.3451
Annotation	Unknow
Peak:m/z	Relative Intensity
81.65408	0.5
138.44267	0.4
149.09631	0.5
167.07123	1.0
175.03793	1.1
176.04488	0.5
181.04959	0.9
184.05028	0.7
189.05225	14.8
189.06863	0.8
190.05872	0.6
201.05225	1.1
201.52827	0.5
202.06003	5.2
203.06844	0.8
215.06750	5.2
216.07564	11.9
216.09473	0.7
217.04803	0.9
217.08316	1.6
219.06274	4.5
229.08389	2.7
231.06332	1.4
232.07036	13.1
232.09181	0.8
233.07808	10.1
234.08601	16.0
235.09132	1.0
245.07782	1.0
247.09428	5.0
395.14697	0.6
399.14203	7.7
400.14673	1.2
411.14569	0.7
412.15128	1.4
413.15683	21.1
414.16104	2.6
425.16010	0.9
426.16748	1.6
427.17371	1.8
429.15167	2.3
443.16769	11.6
444.17542	1.9
457.18344	12.3
458.18903	0.8
471.20120	0.9
609.23206	2.0
623.24701	5.1
624.25159	0.7
639.24078	3.0
654.26367	3.2
655.26843	0.8
682.08014	0.6
821.33838	1.0
851.34485	100.0
852.34888	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.422
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	5.8
65.03918	1.0
67.05166	0.9
67.05502	14.3
69.03424	4.5
69.07066	4.8
69.73322	1.1
69.73734	1.7
71.01357	0.7
71.04986	3.9
73.02916	3.0
79.05489	21.2
79.05955	1.0
81.03413	39.2
81.07054	20.7
81.07464	0.4
82.03746	0.6
83.01344	4.2
83.04977	13.1
83.08619	16.1
84.05305	0.5
85.02901	20.5
85.03420	1.0
85.06542	1.0
87.04472	0.7
91.03954	5.1
91.05477	20.0
93.07043	22.1
94.07352	0.6
95.04962	16.3
95.08596	8.6
97.02888	7.5
97.06533	4.3
97.10175	3.1
98.22669	0.6
99.04447	2.3
99.08060	0.8
103.05482	0.8
105.04480	0.9
105.07024	15.2
106.07328	0.8
107.04948	8.3
107.08591	9.9
109.02876	1.0
109.05224	0.6
109.06516	6.3
109.10128	2.6
111.04453	3.2
111.08073	6.0
113.06030	1.1
115.05413	0.6
117.07024	4.5
119.04937	0.7
119.08581	12.1
121.06486	3.0
121.10143	9.2
123.04392	1.1
123.08074	5.5
123.11714	1.0
125.05997	1.4
125.09636	1.6
127.03901	1.8
129.06995	6.6
131.04900	0.8
131.08571	7.4
133.06474	1.7
133.10133	7.0
135.08080	1.4
135.11687	7.1
137.05984	2.4
137.09622	2.6
137.13330	0.5
142.07838	1.2
143.08488	0.8
145.04955	1.6
145.06473	0.6
145.10123	9.0
147.04466	0.5
147.08067	3.5
147.11679	7.8
149.09595	4.3
151.03911	0.7
151.07512	0.9
151.11162	0.9
153.12726	1.7
155.08578	1.0
157.10114	7.7
161.05972	1.5
163.06032	1.8
163.11179	14.7
165.09111	0.8
165.12698	1.3
173.09621	2.3
175.11151	7.0
181.12187	1.5
188.31943	0.5
189.09142	0.5
189.11124	0.5
191.10680	1.3
193.12233	22.1
194.12646	0.6
203.10680	0.8
209.11728	4.5
211.13283	32.3
212.13741	1.0
227.12756	2.8
249.14848	0.6
252.35150	0.5
265.14417	1.1
267.15952	7.8
283.15390	46.4
284.15738	3.1
285.11694	1.2
285.16953	28.6
286.17307	2.0
313.91327	0.7
326.67630	0.6
327.15643	0.5
359.65646	0.5
383.21982	2.5
401.23260	1.4
424.27649	0.5
457.25897	4.0
475.26862	13.3
476.27206	1.8
493.27936	100.0
494.28195	9.5
533.18335	0.5
637.31665	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5096
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03940	2.4
67.05503	40.3
69.03426	8.1
69.07066	22.8
69.56328	0.9
71.04984	3.5
71.32007	1.0
76.34529	0.8
77.03944	0.9
79.05042	2.0
79.05492	33.3
79.05946	2.0
81.03416	6.1
81.07055	41.0
83.04976	7.3
83.08621	6.6
85.02902	1.2
85.06544	2.8
85.75349	0.9
91.05478	33.6
93.07045	26.2
93.74657	0.8
94.07339	1.0
95.04964	9.9
95.08602	15.0
97.02891	6.2
97.06523	5.3
97.10181	7.8
99.04462	2.1
103.05485	1.8
105.03388	1.1
105.07029	32.2
107.04964	9.9
107.08589	21.3
109.02905	1.1
109.06511	6.2
109.10151	26.4
111.04462	1.2
111.08057	2.0
113.05983	1.4
115.05459	1.9
116.06192	1.1
117.07026	8.5
119.04920	1.9
119.08575	13.4
121.06524	8.4
121.10141	7.9
123.08041	5.4
123.11724	4.5
125.09616	5.7
127.07539	1.1
128.06201	1.8
129.06985	4.0
130.07790	1.1
131.08575	12.4
133.06480	4.3
133.10127	34.5
134.10477	1.1
135.08051	5.9
135.11673	3.0
137.09599	1.9
143.07571	0.9
143.08536	5.7
145.06410	1.1
145.10091	8.4
147.08041	6.4
147.11649	3.1
149.09602	4.3
149.13297	2.1
151.11191	16.0
155.08582	1.3
157.10132	4.0
159.08054	2.1
159.11688	4.1
161.09621	4.7
161.13264	2.0
163.07703	1.1
163.11188	2.0
169.10106	2.2
169.12265	3.4
171.11716	2.6
173.09610	1.4
173.13242	1.0
175.11217	2.1
177.09065	1.0
177.12643	1.9
179.10640	1.8
180.78575	0.9
185.13255	1.8
187.11145	1.3
189.11246	2.4
189.12769	1.3
193.12117	1.1
197.13316	1.0
205.12236	2.7
209.41090	0.9
215.12833	2.6
220.55008	0.9
223.13277	13.1
227.12752	5.2
227.17897	1.3
245.18982	4.6
249.14873	3.6
253.14345	74.0
254.14734	3.6
255.17490	3.0
263.20062	3.9
273.18494	27.7
274.18762	1.8
291.19531	100.0
292.19916	7.6
309.20743	1.5
347.22238	9.1
365.23224	40.8
366.23514	2.8
543.32770	3.1
559.32629	2.2
561.34174	19.8
562.34705	2.4
637.41040	7.1
638.40668	1.2
655.41968	23.1
656.42047	2.8
852.54358	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5098
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	0.6
62.40141	0.5
65.03935	1.4
67.05499	20.5
69.02895	5.3
69.03417	8.4
69.07065	23.5
71.04979	1.6
77.03907	0.8
79.05488	20.9
80.05850	0.8
81.03419	4.2
81.07053	17.7
82.07372	0.6
83.04977	3.8
83.08614	5.8
85.02896	0.5
85.06519	0.7
88.25954	0.5
91.05477	15.6
92.35629	0.6
93.07040	12.9
94.04187	0.7
95.01311	0.7
95.04961	6.7
95.08026	0.8
95.08601	8.1
97.02895	8.6
97.06528	2.5
97.10159	10.3
98.17512	0.5
105.03420	0.6
105.07026	11.6
107.04944	6.9
107.07919	1.0
107.08588	9.5
108.05721	0.8
109.02827	0.7
109.06503	2.0
109.10139	5.0
111.04464	0.8
111.08057	1.4
115.05420	1.6
116.06223	0.7
117.07009	6.5
119.04935	1.8
119.08573	10.4
120.05685	0.6
121.06498	3.1
121.10130	3.8
123.08088	3.2
123.11734	0.8
125.09625	8.1
128.06190	1.4
129.05525	0.7
129.06941	3.0
131.08560	6.6
133.06445	2.7
133.10161	2.7
134.07260	1.2
135.08081	3.2
135.11668	1.8
137.09633	1.7
142.07777	0.9
143.08588	3.2
145.06512	1.1
145.10139	5.7
147.08043	5.1
147.11720	2.5
149.09593	1.9
149.13251	2.0
151.11266	0.6
153.09085	1.2
157.10103	2.5
159.08038	1.2
159.11697	1.6
161.09602	2.3
161.13211	1.0
162.10312	0.8
163.11188	1.5
165.09103	1.0
165.46080	0.6
167.90909	0.5
169.10086	0.9
169.12309	0.7
171.10234	0.7
171.11702	1.3
173.09665	0.9
175.11192	2.0
177.12755	1.7
185.13229	0.8
187.11150	1.0
187.94333	0.5
189.11252	3.5
189.12682	1.0
193.12315	0.7
195.13895	0.7
199.11119	0.8
204.16875	0.5
205.12177	1.6
211.13257	0.6
223.13278	16.0
224.13634	0.7
227.12764	3.7
227.17932	0.7
245.18971	1.4
249.14857	3.3
255.17473	1.4
267.15952	1.0
273.18481	14.7
274.18759	0.9
291.19531	100.0
292.19858	6.1
309.20746	0.6
341.13876	0.7
347.22141	2.7
365.23212	36.8
366.23395	3.4
383.00623	0.6
402.21115	0.6
505.73657	0.6
535.32605	0.6
557.34387	1.5
575.35828	0.9
637.40729	1.8
655.41949	34.5
656.42242	5.5
852.54553	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5098
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	0.6
62.40141	0.5
65.03935	1.4
67.05499	20.5
69.02895	5.3
69.03417	8.4
69.07065	23.5
71.04979	1.6
77.03907	0.8
79.05488	20.9
80.05850	0.8
81.03419	4.2
81.07053	17.7
82.07372	0.6
83.04977	3.8
83.08614	5.8
85.02896	0.5
85.06519	0.7
88.25954	0.5
91.05477	15.6
92.35629	0.6
93.07040	12.9
94.04187	0.7
95.01311	0.7
95.04961	6.7
95.08026	0.8
95.08601	8.1
97.02895	8.6
97.06528	2.5
97.10159	10.3
98.17512	0.5
105.03420	0.6
105.07026	11.6
107.04944	6.9
107.07919	1.0
107.08588	9.5
108.05721	0.8
109.02827	0.7
109.06503	2.0
109.10139	5.0
111.04464	0.8
111.08057	1.4
115.05420	1.6
116.06223	0.7
117.07009	6.5
119.04935	1.8
119.08573	10.4
120.05685	0.6
121.06498	3.1
121.10130	3.8
123.08088	3.2
123.11734	0.8
125.09625	8.1
128.06190	1.4
129.05525	0.7
129.06941	3.0
131.08560	6.6
133.06445	2.7
133.10161	2.7
134.07260	1.2
135.08081	3.2
135.11668	1.8
137.09633	1.7
142.07777	0.9
143.08588	3.2
145.06512	1.1
145.10139	5.7
147.08043	5.1
147.11720	2.5
149.09593	1.9
149.13251	2.0
151.11266	0.6
153.09085	1.2
157.10103	2.5
159.08038	1.2
159.11697	1.6
161.09602	2.3
161.13211	1.0
162.10312	0.8
163.11188	1.5
165.09103	1.0
165.46080	0.6
167.90909	0.5
169.10086	0.9
169.12309	0.7
171.10234	0.7
171.11702	1.3
173.09665	0.9
175.11192	2.0
177.12755	1.7
185.13229	0.8
187.11150	1.0
187.94333	0.5
189.11252	3.5
189.12682	1.0
193.12315	0.7
195.13895	0.7
199.11119	0.8
204.16875	0.5
205.12177	1.6
211.13257	0.6
223.13278	16.0
224.13634	0.7
227.12764	3.7
227.17932	0.7
245.18971	1.4
249.14857	3.3
255.17473	1.4
267.15952	1.0
273.18481	14.7
274.18759	0.9
291.19531	100.0
292.19858	6.1
309.20746	0.6
341.13876	0.7
347.22141	2.7
365.23212	36.8
366.23395	3.4
383.00623	0.6
402.21115	0.6
505.73657	0.6
535.32605	0.6
557.34387	1.5
575.35828	0.9
637.40729	1.8
655.41949	34.5
656.42242	5.5
852.54553	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5301
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	4.3
65.03952	1.6
67.05506	20.3
69.03433	1.6
69.07057	7.9
69.08819	8.2
69.09222	2.5
71.01357	2.4
71.04993	1.5
71.08626	14.6
73.02929	2.5
79.05492	13.8
81.03397	3.7
81.07057	15.5
83.04988	4.1
83.08627	7.2
85.02897	5.7
85.06567	2.2
85.10181	9.6
87.49754	1.4
91.03958	3.4
91.05481	8.5
93.07031	23.9
95.04951	2.0
95.08601	13.6
96.71132	1.2
97.02876	3.8
97.06525	5.4
97.10173	7.3
98.23384	2.3
105.07030	2.3
106.15034	1.3
107.08591	13.7
109.10152	9.2
111.11693	1.5
117.07008	1.3
119.08589	4.4
119.22919	1.3
121.10149	3.7
123.11694	2.2
127.03907	1.9
132.74123	1.2
133.10139	2.1
135.11688	24.8
137.09598	1.3
145.04953	1.5
145.10118	5.7
149.81035	1.4
153.12724	2.6
163.11174	4.1
181.12260	5.7
196.00116	1.7
255.15913	41.3
256.16290	1.9
257.24835	1.5
313.27341	42.8
314.27600	3.4
339.29028	1.4
493.38849	100.0
494.39124	10.4
852.55908	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5306
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	5.1
67.05502	29.5
69.03401	1.4
69.07069	10.1
71.01359	2.5
71.04984	3.0
71.08629	13.8
71.31850	1.5
73.02924	2.1
73.74768	1.0
79.05489	21.5
81.03417	3.6
81.07056	18.8
83.05000	6.7
83.08643	6.5
85.02897	7.5
85.06547	1.8
85.10186	6.9
91.03958	3.6
91.05479	8.5
93.07039	27.0
95.04985	2.3
95.08607	15.0
95.19481	1.1
97.02895	3.5
97.06523	6.6
97.10170	8.4
99.08088	1.4
105.07026	2.7
107.08587	17.2
107.78130	1.0
109.06455	1.3
109.10143	9.0
111.08090	2.3
117.07034	2.9
119.08602	4.5
121.06464	1.1
121.10130	5.1
123.11726	3.1
125.09619	1.7
127.03941	2.0
133.10150	2.1
133.41397	1.3
135.08029	1.2
135.11687	32.8
137.09608	1.2
143.08647	1.3
145.04959	1.9
145.10100	6.2
150.06308	1.0
153.12772	3.0
163.06004	1.8
163.11200	3.7
181.12164	6.2
202.82834	1.1
255.15904	100.0
256.16235	4.0
257.24817	1.3
261.08231	1.1
313.27356	48.5
314.27725	2.3
335.25632	2.0
493.38867	82.1
494.39200	10.3
749.35907	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.455
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	8.4
65.03960	0.5
67.05505	9.4
69.03432	5.3
69.07076	1.9
70.42551	0.9
71.01362	0.9
71.05011	0.9
73.02914	5.2
73.03291	0.5
79.05497	4.2
81.03417	2.4
81.07060	6.3
81.07509	0.5
83.04999	0.6
83.08625	1.1
83.09079	0.3
85.02908	8.6
87.04488	0.8
91.03957	5.1
91.05486	2.7
91.05889	0.2
93.07044	4.7
95.04990	0.8
95.08602	3.8
97.02899	7.9
97.03491	0.5
99.04482	1.1
101.02377	2.9
103.03980	0.6
105.07041	2.5
107.04979	0.3
107.08605	2.2
109.02907	1.3
109.10149	5.2
111.04511	0.3
115.03954	0.9
117.07027	1.1
119.08603	1.8
121.06589	0.5
121.10124	1.8
123.08128	0.3
123.11707	0.4
125.09637	0.4
127.03906	2.7
127.04613	0.3
131.08623	1.0
133.06583	0.3
133.10126	1.4
135.11732	0.8
137.06003	0.3
137.09674	0.4
145.04977	0.7
145.10110	0.7
147.08145	0.4
147.11705	0.7
149.09633	0.5
151.11192	0.5
159.11732	0.7
161.13278	0.5
163.11240	0.5
173.11806	0.9
178.69962	0.4
185.04283	1.1
194.91406	0.3
195.09953	0.7
203.05273	1.1
219.10361	0.4
223.13438	0.4
227.12837	0.4
229.14510	0.5
243.08449	3.2
251.12627	0.4
253.14532	0.5
269.17535	0.5
273.18561	0.5
275.20108	0.6
291.19519	2.0
335.25806	0.9
343.57486	0.3
347.09348	1.9
349.23746	0.6
352.40750	0.3
363.09006	0.5
365.10703	0.9
365.23395	1.2
405.13693	5.7
405.18790	0.4
413.17850	6.9
501.91254	0.4
519.29291	6.4
520.29803	0.3
545.34650	0.5
559.36517	1.3
575.23029	4.7
576.23456	0.4
681.34595	8.1
682.34857	0.7
691.39972	2.2
692.40552	0.4
693.49335	0.3
853.45343	100.0
854.45807	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	853.4552
Annotation	Unknow
Peak:m/z	Relative Intensity
60.77966	0.5
61.02928	7.4
67.05504	9.3
68.99674	0.5
69.03445	3.5
69.07067	2.1
71.01367	0.8
71.04987	0.8
71.31479	0.5
71.31921	0.9
73.02911	5.2
74.87706	0.5
75.87181	0.5
79.05479	3.9
81.03421	2.0
81.07066	4.7
83.04993	0.6
83.08634	1.1
85.02898	8.1
91.03941	4.5
91.05482	3.8
93.07038	4.4
95.04974	1.2
95.08615	4.1
97.02898	7.4
97.10181	0.6
99.04459	1.6
101.02404	2.1
105.06992	2.8
107.04997	0.6
107.08583	2.8
108.12050	0.5
109.02861	1.2
109.10153	7.4
117.06985	1.1
119.08593	1.7
121.10152	1.9
127.03918	1.3
131.08574	1.3
133.10139	1.4
135.11725	1.3
145.10141	1.6
147.11690	1.7
155.10603	0.6
159.11722	0.6
159.83022	0.6
173.11768	1.9
173.13191	0.8
175.11140	0.8
185.04193	1.3
195.10008	1.0
203.05283	0.8
229.14323	1.0
243.08447	2.5
251.12621	0.9
275.20123	0.8
291.19537	1.6
292.19916	1.3
347.09528	2.0
365.10699	1.5
405.13626	5.5
413.17783	11.0
519.29230	5.1
520.29279	0.8
575.14636	0.8
575.23193	9.9
656.42450	1.0
681.34357	4.6
691.40222	1.8
692.40643	0.7
853.45087	100.0
854.45636	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	854.4377
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	9.5
61.03214	1.0
63.87832	0.5
64.29478	0.5
65.03938	3.2
65.86798	0.5
67.05502	31.9
69.03426	8.9
69.05733	1.4
69.06141	4.1
69.07070	8.3
71.01367	0.6
71.04994	7.1
73.02922	4.5
73.06560	0.6
79.05489	34.0
80.05843	1.0
81.03415	96.4
81.07053	35.6
82.03742	1.4
82.07396	0.6
83.04978	21.4
83.08616	32.7
84.05328	0.5
84.08935	0.9
85.02901	46.1
85.06548	1.9
86.03241	0.7
91.03954	6.5
91.05477	46.6
92.05807	1.2
93.07042	23.4
94.07386	0.7
95.04964	34.6
95.08606	14.5
96.05293	1.2
97.02894	9.4
97.06526	5.0
97.10168	5.3
98.23392	1.2
99.04436	1.6
99.08112	2.2
103.05495	0.7
105.04531	1.2
105.07024	31.7
106.07323	0.6
107.04957	10.5
107.08589	10.4
109.02869	1.2
109.06506	6.5
109.10140	4.4
111.04430	3.9
111.08073	13.5
113.06010	3.0
115.03910	0.8
115.05440	3.0
116.06187	0.6
117.07030	2.1
119.04934	1.4
119.08575	26.8
120.08935	0.9
121.06506	2.7
121.10139	12.8
121.10988	0.9
123.08056	4.3
123.11713	2.7
124.74358	0.6
125.05975	0.9
125.09611	3.3
127.03926	1.8
127.07553	1.2
128.06276	0.9
129.05522	1.0
129.07001	16.9
130.07336	0.5
131.08560	17.3
133.06474	4.9
133.10130	16.9
133.11160	0.9
134.10500	0.6
134.52718	0.5
135.08099	0.6
135.11719	1.1
137.05971	0.8
137.09650	3.1
137.13255	1.0
142.07794	3.8
145.04999	2.1
145.06506	0.8
145.10104	2.6
147.08047	4.6
147.11676	22.1
148.12016	1.0
149.09628	9.5
151.11211	0.9
157.10121	22.8
158.10497	1.1
160.09001	0.6
163.06029	3.1
163.11169	1.6
165.12758	5.1
175.09654	1.3
175.11180	23.5
176.11601	1.0
185.13300	0.7
187.36299	0.5
193.12236	67.1
194.12608	3.1
211.13284	100.0
212.13606	4.2
227.12804	1.1
233.15393	0.6
249.14897	1.8
267.15891	49.1
268.16132	2.8
273.14807	0.7
285.16943	86.9
286.17270	5.5
349.21490	1.2
367.22568	3.9
385.23633	6.1
403.24704	1.8
433.25815	2.0
441.26538	2.1
457.30731	0.5
459.27396	31.7
460.27554	3.8
477.28464	36.1
478.28906	4.3
495.29492	91.8
496.29868	9.9
621.32440	0.7
639.33569	1.7
745.45178	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	17.7
65.03937	4.1
67.05504	79.4
69.03423	10.4
69.07061	21.8
69.65603	4.1
69.66013	2.2
71.01357	1.3
71.04992	8.6
73.02917	8.9
75.11767	1.2
77.03893	1.3
79.05488	53.0
80.05824	1.7
80.06290	1.3
81.03416	23.2
81.07054	89.3
82.04179	2.7
82.07381	2.1
82.67045	1.1
83.01350	1.4
83.04982	18.0
83.08615	19.5
84.02131	1.4
85.02897	20.1
85.03409	1.3
85.06538	5.4
85.53256	1.1
87.04488	1.5
91.03965	11.2
91.05476	40.5
93.07042	65.3
94.07394	1.7
95.04970	17.3
95.08595	21.2
97.02887	12.3
97.06526	13.8
97.10178	15.5
98.07320	4.2
99.04461	2.8
99.08109	3.8
103.05479	2.2
105.04539	1.7
105.07035	20.0
107.04968	7.8
107.08595	40.6
109.02869	3.2
109.06509	6.2
109.10155	19.5
110.10464	1.0
111.04453	3.0
111.08070	10.5
115.03889	1.4
115.05487	1.6
116.04704	10.8
117.05467	1.2
117.07014	12.3
119.08571	11.4
121.06512	4.7
121.10140	18.4
123.04395	1.4
123.08070	5.7
123.11704	3.3
125.09633	15.8
127.03917	5.5
127.11187	1.9
129.05478	24.1
129.07027	3.9
131.08563	15.4
133.06480	2.2
133.10098	19.2
135.08051	5.8
135.11679	10.7
137.05971	2.5
137.09598	3.4
139.07497	1.7
143.07076	4.7
143.10750	2.2
145.04955	4.1
145.06558	1.2
145.10107	4.5
147.08092	2.7
147.11682	7.0
148.12395	1.2
149.09662	3.4
149.13258	25.8
151.03918	7.1
151.11143	1.8
153.09129	1.4
153.12766	3.6
155.10687	1.2
157.08621	8.7
157.10077	4.5
158.05721	1.9
159.11652	12.0
160.12050	1.2
163.06038	3.3
163.07532	1.5
163.11160	7.1
165.12823	2.0
171.06578	3.1
171.10158	4.2
171.11516	1.3
173.04381	1.4
173.09616	2.6
173.11746	5.1
175.11217	4.1
177.12749	7.1
181.12230	2.3
189.11215	5.2
191.10689	3.0
193.12219	7.7
195.13809	17.9
199.13293	18.0
200.14099	2.8
209.11644	8.6
210.12346	2.1
211.13203	6.0
213.14845	3.8
227.12755	13.7
229.14375	3.6
232.10922	1.8
255.15945	3.0
265.14313	1.4
267.15842	8.9
269.17459	74.4
270.17865	4.0
283.15390	13.7
284.15982	2.0
285.16983	4.0
301.16437	46.8
302.16611	1.7
323.18765	2.7
393.26193	8.1
411.27377	16.1
413.21732	3.0
423.27380	43.9
424.27707	5.1
449.29095	2.1
459.27402	1.9
460.28125	1.3
461.28937	4.9
477.28470	25.8
478.28955	10.4
479.29471	1.4
495.29495	100.0
496.29721	11.8
583.95648	1.2
621.32355	2.1
639.34058	5.5
657.26636	5.1
854.48883	1.7
884.31818	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	7.3
65.03932	1.9
67.05505	61.8
68.05824	1.3
69.03433	2.9
69.07069	13.5
71.04996	13.6
71.08648	0.6
71.31607	1.1
73.02901	3.1
77.47036	0.5
79.05493	27.8
81.03411	5.5
81.07056	82.7
82.07401	1.9
83.04990	5.8
83.08620	12.8
85.02901	10.1
85.06551	6.2
87.04461	1.1
91.03973	4.8
91.05483	22.7
92.05784	0.6
93.07045	37.9
94.07378	0.8
95.04964	4.0
95.08607	15.9
95.61330	0.5
97.02894	5.7
97.06523	8.5
97.10172	3.9
99.04487	1.2
99.08080	3.0
101.70757	0.5
105.04538	1.1
105.07027	8.6
107.04961	1.6
107.08597	21.9
109.02901	0.7
109.06516	1.9
109.10156	13.9
111.04460	1.0
111.08076	5.6
113.05985	0.5
113.09675	0.9
117.07027	6.1
119.06046	0.6
119.08589	4.3
121.06538	1.8
121.10144	11.4
123.08077	1.0
123.11713	8.8
125.09651	2.8
127.03916	1.8
129.05479	1.5
131.08565	6.7
133.10129	10.9
135.08112	1.2
135.11710	6.9
137.09627	1.2
139.11182	1.3
145.04955	1.8
147.08034	0.7
147.11696	2.0
149.13251	21.1
150.13600	0.8
151.11162	3.8
153.09087	0.7
153.12761	0.8
155.10701	0.8
157.10115	1.0
159.11717	8.5
161.13246	0.6
163.06065	2.5
163.11217	1.2
165.12750	0.8
169.12268	0.7
173.11711	2.8
177.12737	4.3
181.12183	0.7
183.13850	1.9
187.13306	2.0
191.10776	0.9
193.12230	1.3
195.13808	8.5
199.13251	1.2
209.11760	1.4
213.14864	1.2
227.12820	1.9
229.14359	10.5
230.14790	0.5
251.16527	1.0
267.15744	2.6
269.17465	24.7
270.17819	1.7
283.15433	1.2
297.17041	0.6
301.16513	3.2
301.20157	4.7
411.27414	0.7
423.27344	9.0
424.27844	0.8
437.29013	33.7
438.29361	3.6
451.30475	4.4
463.30539	100.0
464.30835	9.9
495.33868	27.4
496.33264	2.8
513.30756	3.7
555.55505	0.6
607.34583	1.5
639.37738	3.4
651.42694	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5254
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	3.0
65.03930	2.1
67.05508	56.1
68.05852	1.7
69.03432	10.4
69.07070	38.9
69.49377	7.1
70.07413	1.3
71.05000	5.6
73.02909	2.1
73.30674	1.0
79.05495	54.4
81.03415	13.3
81.07060	59.6
83.04980	9.2
83.08625	12.4
85.02900	4.6
85.06554	3.6
91.05482	42.2
92.05858	1.0
92.34266	1.2
93.07044	43.1
94.07372	1.8
95.01332	1.6
95.04976	12.1
95.08614	22.4
97.02895	12.1
97.06526	12.1
97.10166	15.8
99.08064	2.4
100.67771	1.0
103.05454	1.7
105.04554	1.6
105.07030	30.0
107.04961	11.7
107.08604	30.9
109.02917	1.4
109.06522	6.8
109.10157	16.7
111.04449	2.3
111.08083	5.7
113.40144	1.0
115.05436	2.4
116.06244	1.7
117.07018	15.2
119.08582	25.9
119.90547	1.1
121.06494	6.8
121.10149	13.5
123.04482	1.8
123.08081	6.2
123.11703	3.2
125.09622	11.1
127.03929	1.5
128.06174	1.7
129.07018	6.9
131.08566	17.7
133.06491	4.1
133.10127	20.5
135.08060	6.0
135.11685	10.1
137.06001	1.6
137.09593	2.7
143.08524	5.5
145.06444	1.5
145.10143	13.6
147.08058	6.6
147.11693	8.8
149.09624	9.2
149.13272	10.1
151.11189	6.9
153.12704	1.5
155.08524	1.7
157.10132	5.4
159.11688	9.4
161.09602	3.1
161.13239	2.3
163.11169	4.5
165.09087	1.7
169.10104	2.5
171.10361	1.2
171.11710	4.6
173.04651	1.1
173.09628	1.1
173.13226	2.4
175.11192	3.2
177.12776	4.4
179.14420	1.2
179.86888	1.1
181.12318	1.3
183.07982	1.3
183.11763	1.4
183.44850	1.0
185.13268	1.9
187.11206	1.4
189.11203	4.1
193.12192	1.2
195.13838	6.6
199.11214	1.9
199.14850	1.2
201.12729	1.1
203.14386	1.3
205.12297	2.5
207.11996	1.0
211.13164	1.1
213.14755	1.1
215.12732	1.5
223.13257	17.7
223.15254	1.4
227.12796	8.4
236.15030	1.6
239.17964	1.9
245.18959	1.5
247.20744	1.4
249.14861	3.5
253.14331	10.2
255.15799	7.5
257.19003	4.9
263.20071	1.3
267.15842	2.3
269.17447	21.9
273.18494	17.0
274.18802	1.4
275.20062	15.6
291.19543	100.0
292.19913	4.8
309.20648	1.9
331.22806	1.4
344.19211	1.1
347.22186	4.6
349.23795	11.8
365.23242	37.2
366.23633	3.3
367.24670	1.8
413.17157	1.2
414.28543	1.3
461.28790	1.8
465.28033	1.4
523.82416	1.3
541.35162	2.8
545.34735	12.9
559.36261	53.5
560.36591	5.8
606.60315	1.2
639.42706	11.8
640.42670	1.5
657.43311	2.9
660.01276	1.2
682.34003	1.2
836.40845	1.2
854.29633	1.4
854.45441	29.0
855.45648	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	854.5257
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	1.6
65.03940	3.1
67.05505	55.4
68.05812	1.0
69.03426	14.9
69.07069	40.3
71.01347	1.3
71.05008	5.6
71.31369	1.1
71.31747	1.3
73.02914	2.4
77.03912	1.8
79.05493	51.2
80.05809	1.1
81.03426	11.8
81.07059	56.5
83.04987	11.2
83.08617	14.7
85.02892	3.8
85.06547	3.2
91.03943	1.2
91.05481	47.6
93.07045	46.9
94.07362	1.2
95.04972	13.9
95.08606	25.4
96.08958	1.3
97.02892	12.7
97.06531	15.2
97.10167	16.4
99.04476	1.7
99.08105	2.5
103.05482	2.1
105.07037	32.3
107.04965	12.6
107.08598	31.9
109.02869	2.0
109.06520	7.1
109.10159	18.2
111.04441	1.7
111.08108	5.4
113.09692	1.1
113.21070	1.2
115.05469	2.5
117.07026	14.5
119.04978	1.5
119.08580	23.0
120.05717	1.6
121.06510	6.0
121.10145	14.1
123.04433	1.7
123.08109	6.6
123.11661	2.6
125.09637	14.4
127.03927	2.3
127.61053	1.0
128.06213	2.3
129.05536	1.7
129.07016	8.3
130.07791	1.6
131.08568	18.9
132.08942	1.0
133.06502	4.4
133.09160	1.7
133.10139	18.4
133.11134	1.3
134.07205	1.3
135.08075	6.5
135.11679	9.2
135.61838	1.0
137.09619	3.7
141.06975	1.9
142.07782	1.0
143.08577	5.3
145.06490	1.1
145.10130	12.3
147.08018	7.2
147.11679	9.5
149.09608	10.0
149.13237	6.8
151.11180	4.3
153.09169	3.2
153.12816	1.2
155.08519	2.7
157.10146	5.8
159.08121	1.6
159.11711	11.2
161.09631	3.6
161.13284	2.9
163.11220	6.9
165.09091	1.9
165.12813	1.3
169.10136	2.4
169.12207	1.4
171.10255	2.2
171.11742	5.4
173.09605	1.4
173.13280	3.3
175.11145	2.5
177.12741	3.9
179.14328	1.9
183.11604	1.5
187.11232	2.0
187.14911	1.8
189.11230	7.8
189.12709	1.6
193.12215	1.5
195.13850	4.2
199.11148	1.1
199.14867	1.2
205.12225	2.3
223.13272	17.5
227.12759	12.5
239.17958	2.3
245.18935	1.5
247.20580	2.1
247.91437	1.2
249.14812	5.0
253.14287	6.4
255.15964	4.1
257.18991	5.9
259.57791	1.1
261.14938	1.3
261.18616	1.0
263.20114	1.6
267.15891	2.1
269.17508	13.4
270.17746	1.1
273.18494	15.9
275.20068	25.6
276.20306	1.8
291.19547	100.0
292.19824	5.2
293.21136	1.8
309.20462	2.0
315.23819	1.2
317.59689	1.1
347.22202	2.8
349.23749	17.3
365.23251	32.5
366.23703	2.9
423.23373	1.5
535.32294	1.9
541.35059	3.2
545.34619	12.5
559.36237	36.2
560.36304	4.9
599.39215	1.3
621.41382	1.6
639.42462	18.3
640.42682	2.6
657.43396	2.8
692.41541	1.1
729.67065	1.2
854.44342	16.3
855.44580	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	856.5404
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	2.3
62.69355	1.4
65.03928	4.4
66.29669	1.4
67.01929	1.4
67.05505	68.2
67.05868	3.4
69.03426	6.7
69.07063	16.4
69.96274	1.2
71.01354	1.8
71.04987	5.3
71.08620	1.5
76.85439	1.6
79.05492	58.8
79.07751	1.4
80.05822	1.4
81.03414	25.6
81.03842	2.5
81.07054	64.9
83.01345	2.7
83.04979	17.8
83.08622	14.9
85.02891	11.9
85.06541	1.4
87.04403	1.9
89.18990	1.3
91.05479	37.0
93.07043	55.0
94.07390	2.4
95.04947	10.8
95.08607	43.7
96.30509	1.5
97.02883	10.7
97.06541	9.5
97.10155	7.8
98.22533	2.6
99.04475	1.6
99.08088	3.9
105.07027	22.7
107.04950	12.7
107.08594	32.1
109.02892	2.8
109.06505	5.3
109.10149	24.9
111.04443	5.6
111.08070	6.1
117.07007	15.1
119.08583	22.9
121.06504	4.3
121.10139	24.1
122.16220	1.3
123.04398	1.4
123.08078	6.9
123.11679	3.0
125.05905	2.4
125.09609	6.7
127.03912	1.8
129.05484	3.6
129.06999	3.9
130.07793	1.5
131.08568	16.1
133.10141	12.1
135.08066	4.3
135.11697	23.8
136.34465	1.3
137.09612	4.5
139.07558	1.5
139.11134	1.8
143.08574	3.3
145.06508	2.2
145.10118	22.4
147.08054	4.8
147.11662	7.5
149.09587	4.0
149.13246	7.9
149.15604	1.5
153.12746	10.2
155.08534	2.9
155.10828	1.6
157.10129	4.2
159.11711	4.0
161.13220	3.0
163.07579	1.6
163.11174	23.6
163.14859	2.1
173.09653	5.0
173.11763	3.4
173.13297	4.4
175.14799	2.8
181.12276	5.5
185.13251	2.3
187.14873	3.4
191.10661	8.3
193.12000	1.4
209.11742	18.3
220.56425	1.6
225.11023	1.8
227.12744	12.8
229.14330	5.8
243.12233	1.9
243.21085	3.2
251.04024	1.4
259.20709	2.8
261.22156	12.0
265.14365	6.8
267.15881	3.4
269.17175	2.0
283.15396	19.3
289.17761	1.5
299.23795	2.2
301.16446	37.2
302.16608	1.5
317.24774	3.4
333.24323	1.9
335.25784	75.1
336.26108	5.6
363.38159	1.7
427.19943	1.4
433.30908	1.6
445.20737	2.7
451.32141	2.2
469.32999	3.7
489.35294	2.1
525.28381	1.9
525.35760	10.5
543.36829	50.5
544.36859	4.8
561.37842	100.0
562.38135	13.8
623.42828	1.9
641.44153	6.9
659.45068	3.2
705.41504	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	856.5402
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	2.6
65.03941	3.9
65.73434	1.0
67.05502	100.0
68.05836	1.7
69.03430	4.6
69.07065	17.6
71.01360	1.7
71.04993	4.8
73.02905	2.1
73.06522	0.9
77.03922	1.1
77.19360	0.9
79.05491	43.8
79.46006	0.9
81.03414	9.1
81.07054	58.2
82.07390	1.4
83.01346	1.5
83.05007	4.9
83.08613	13.6
85.02908	10.5
85.06535	3.2
87.04453	2.9
91.03963	1.8
91.05476	24.9
91.67216	1.0
93.06450	1.9
93.07040	38.9
94.07409	1.6
94.19469	0.9
95.04975	6.4
95.08606	41.6
96.08918	1.0
97.02888	3.9
97.06509	4.9
97.10164	14.2
99.08110	2.2
100.02590	1.0
103.03976	1.0
105.04551	1.4
105.07019	15.2
107.04933	2.1
107.08588	24.2
109.06516	3.2
109.10151	61.5
111.08064	4.6
113.05991	1.2
115.05414	1.2
117.07022	7.3
119.07767	1.2
119.08578	15.8
121.10132	20.9
123.08074	2.5
123.11686	4.2
125.09635	12.9
129.05487	1.9
129.06995	2.0
131.08549	10.6
133.10127	7.8
135.11694	12.1
137.09595	4.2
137.13281	1.8
139.11230	1.2
143.08632	1.2
143.10721	1.5
145.10109	10.5
147.08008	1.5
147.11685	6.0
149.13292	5.1
151.11137	1.1
153.12750	3.4
155.10657	3.7
157.10179	1.3
159.11739	5.5
159.69485	0.9
161.13260	3.4
163.11142	6.6
163.14848	2.3
165.12782	1.4
171.11732	1.1
173.09627	1.6
173.10217	1.4
173.11742	14.8
173.13254	4.2
175.14851	2.0
181.12230	2.1
183.11765	1.0
187.14867	2.0
191.10637	1.9
193.12248	1.3
199.13274	5.5
209.11755	4.2
227.12801	4.6
229.14330	33.8
240.28880	0.9
243.21101	4.7
261.22168	14.5
262.22311	1.4
267.16040	2.1
279.23236	1.1
283.15353	1.6
301.16492	8.0
317.24786	2.6
335.25787	67.2
336.26074	5.2
363.25269	1.1
398.78729	0.9
399.23624	5.4
477.35724	5.3
489.35767	16.5
490.35513	1.8
543.36469	1.3
561.37689	3.9
579.38800	1.2
659.44977	6.4
864.88806	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5412
Annotation	Unknow
Peak:m/z	Relative Intensity
63.09129	1.7
65.03934	4.2
67.05505	78.3
69.03453	8.2
69.06711	2.8
69.07066	36.5
69.16512	13.9
69.95167	1.6
71.05000	8.0
79.05492	62.5
80.05828	2.3
81.03424	13.8
81.07056	100.0
83.04972	14.5
83.08615	19.7
85.02898	5.0
85.06567	4.4
91.05479	50.3
93.07046	67.7
95.04966	14.4
95.08611	39.8
97.02882	4.1
97.06535	18.8
97.10148	10.1
99.04440	1.7
99.08069	4.1
103.05452	3.4
105.07030	46.9
107.04965	11.5
107.08602	39.3
108.08950	1.8
109.02869	3.2
109.06523	8.6
109.10153	15.3
111.04460	2.1
111.08076	7.2
115.05414	2.3
117.07024	20.5
119.08574	34.2
120.46447	1.6
121.06506	7.7
121.10149	21.7
123.08059	6.7
123.11690	6.4
125.09628	9.3
127.03899	3.6
128.06204	2.6
129.07004	9.8
130.07838	2.6
130.55394	1.7
131.08565	25.8
133.06554	3.0
133.10143	29.4
135.08051	5.9
135.11685	19.7
137.09651	3.8
141.06924	1.9
143.08569	7.9
143.12617	1.6
145.06538	1.8
145.10130	21.3
147.08037	2.9
147.11696	15.5
149.09601	16.0
149.13261	16.6
151.11176	3.2
155.08548	4.7
157.10164	9.8
159.08081	2.5
159.11679	14.7
161.09578	2.7
161.13310	5.2
163.11171	9.7
167.08426	2.0
169.10118	4.7
171.11659	6.4
173.04521	2.1
173.13283	8.0
175.11269	2.0
177.05183	1.7
177.12781	5.5
179.14288	3.4
181.12317	2.4
183.11694	3.1
183.43491	1.6
185.13269	3.7
187.11188	2.8
187.14796	2.9
189.11224	4.5
195.11809	3.6
195.13820	6.4
197.13216	4.0
207.13829	1.9
227.12782	7.1
229.14250	2.7
236.14972	2.0
239.17921	4.2
247.20680	3.3
251.16362	2.8
255.15894	13.6
257.18979	10.9
267.15964	4.8
269.17465	44.9
270.17755	2.6
273.18503	2.4
275.20087	42.6
276.20319	4.3
292.19943	3.0
293.20953	3.4
301.05463	1.8
331.22546	3.1
349.23737	32.9
350.23944	3.8
367.24823	8.1
390.24667	2.6
435.27167	3.6
445.29474	2.2
449.28934	21.4
451.32306	2.3
463.30576	27.5
464.30618	4.2
525.35278	2.5
529.34845	5.7
543.29523	2.6
543.36841	28.1
544.37128	3.4
547.35785	2.5
561.37183	5.2
623.43188	4.1
641.43188	5.7
809.49286	2.4
856.44934	6.5
856.59137	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	856.5411
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	2.2
65.03929	2.9
67.05508	74.3
68.05838	1.5
69.03426	10.4
69.06709	2.3
69.07069	37.3
70.07410	2.0
71.01340	1.2
71.05000	6.1
71.31781	1.2
71.32131	1.5
73.02925	2.0
77.03929	1.7
79.05494	69.3
80.05802	2.1
81.03419	14.2
81.07059	100.0
82.07350	1.7
83.04987	14.1
83.08630	16.6
85.02896	4.6
85.06541	5.2
85.57026	1.4
87.04456	1.6
91.03955	1.4
91.05483	56.7
92.05803	2.1
93.07047	69.3
94.07371	1.6
95.04965	19.3
95.08607	40.8
97.02892	6.3
97.06530	17.3
97.10175	11.0
99.04431	1.6
99.08090	3.8
103.05457	1.9
105.04546	1.4
105.07031	52.5
106.07346	1.3
107.04960	13.0
107.08596	44.3
108.08885	1.5
109.02895	1.4
109.06498	8.0
109.10159	15.9
111.04439	3.7
111.08080	8.5
113.09705	2.8
115.05456	3.9
116.06263	2.2
117.07022	23.5
119.08590	29.6
120.08868	2.3
121.06505	7.1
121.10151	20.5
123.04469	2.0
123.08069	6.1
123.11707	4.5
125.09624	9.8
127.03915	3.4
128.06219	1.8
129.07034	10.5
131.08572	29.5
133.06523	3.6
133.10135	31.2
135.08034	6.2
135.11713	16.0
137.09593	3.3
139.11214	2.8
141.06952	4.2
143.08522	8.6
145.06485	2.4
145.10124	21.5
146.10410	1.4
147.08009	3.8
147.11688	16.0
149.09627	17.3
149.13281	13.5
151.11179	4.3
155.08586	5.0
157.10132	6.8
159.08031	2.3
159.11702	18.0
161.09612	3.7
161.13274	4.7
163.11195	11.3
165.12764	3.2
169.10123	5.1
171.10201	1.3
171.11696	5.4
173.04433	2.0
173.09602	1.8
173.11879	2.0
173.13245	7.7
175.11087	2.2
177.12758	5.7
179.14359	2.5
181.10081	2.0
181.12250	1.5
183.11691	4.5
185.13266	4.8
187.11198	3.4
187.14874	3.0
189.11211	4.1
193.12184	1.8
195.11932	2.3
195.13824	9.3
197.13249	3.1
199.14880	3.0
209.13287	1.4
211.14851	1.8
213.14738	1.7
217.15817	1.5
227.12708	9.7
229.19519	2.7
236.14948	3.6
239.17995	2.7
245.13817	1.7
247.20526	3.9
253.14304	2.3
255.15834	9.1
257.19064	11.6
267.15930	2.4
269.17471	40.2
270.17755	1.8
275.20078	41.7
276.20407	2.3
291.19550	4.4
292.19839	2.2
293.21045	4.3
313.21597	1.5
331.22641	3.1
344.10718	1.4
349.23727	34.5
350.23956	3.5
367.24841	7.2
390.25049	1.8
413.21295	2.2
414.80936	1.4
423.26846	1.5
435.27396	2.1
439.26633	2.0
445.29456	2.9
449.28946	19.9
450.29111	2.6
463.24661	1.2
463.30557	28.2
464.30765	2.5
485.87985	1.4
525.35675	2.4
529.35382	6.0
543.36810	28.7
544.37042	3.7
561.37927	3.5
623.42444	4.4
641.43506	4.9
854.99902	1.7
856.43811	5.2
856.57861	4.2
857.45496	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	856.5407
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	3.9
65.03936	5.0
67.05502	100.0
68.05846	2.0
69.03429	3.5
69.07063	16.6
71.01358	1.4
71.04991	3.8
71.08623	0.7
73.02923	3.7
76.06184	0.6
77.03915	0.8
79.05489	42.6
81.03418	9.2
81.07054	57.8
82.07391	0.9
83.01316	0.7
83.04977	6.4
83.08614	13.5
85.02905	11.9
85.06554	3.1
87.04459	5.2
91.03969	1.3
91.05478	25.9
93.07042	40.8
93.15170	0.6
94.07391	1.5
95.04964	7.5
95.08602	38.7
96.08916	0.8
97.02892	4.2
97.06535	4.5
97.10159	13.6
97.10744	1.0
97.96784	0.6
99.04410	1.0
99.08080	1.1
103.03929	0.9
103.05429	0.9
105.04515	0.8
105.07027	14.4
107.04982	3.1
107.08591	24.8
108.08946	0.7
109.06522	3.3
109.10153	53.7
110.10469	1.4
111.04432	1.6
111.08066	2.9
115.05452	1.0
117.07015	6.3
119.08575	14.6
120.08952	0.8
121.06508	1.1
121.09272	0.9
121.10136	16.7
123.08080	2.3
123.11695	4.7
125.09631	15.1
127.03928	0.6
129.05504	1.4
129.06990	1.6
131.08557	10.5
133.10117	8.8
135.08022	1.3
135.11690	13.1
136.11990	0.6
137.09590	3.3
137.13261	1.4
139.11153	1.3
143.08603	0.9
143.10672	2.1
145.10124	8.3
147.08058	1.7
147.11684	5.7
149.09605	1.4
149.13243	5.0
151.11217	0.8
151.14819	0.6
151.60709	0.5
153.12717	3.4
155.10646	3.9
157.10109	1.5
157.24402	0.6
159.10429	1.0
159.11662	5.7
159.35649	0.5
161.13286	4.1
163.11171	6.9
163.14818	2.4
165.12805	0.7
171.10178	0.7
171.11682	0.9
173.09592	1.4
173.11754	14.1
173.13278	5.1
175.11102	0.8
175.14938	1.0
177.12820	0.6
181.12221	2.5
185.13364	0.9
187.14816	2.2
189.11206	0.7
191.10687	2.6
193.12254	2.1
199.13263	6.0
199.14818	0.8
201.16440	1.4
209.11748	4.4
211.13219	1.1
217.14381	1.5
219.45093	0.8
227.12758	6.0
229.14331	42.5
230.14641	1.9
238.45004	0.6
241.19461	0.7
243.20996	4.3
245.13724	1.0
257.13889	1.3
259.20624	1.3
261.22131	15.2
262.22513	0.8
267.15967	2.4
277.21649	1.4
281.03500	0.6
283.15393	1.8
287.20032	0.8
299.23587	0.8
301.13107	0.7
301.16483	10.7
316.33469	0.7
317.24799	2.0
327.23218	0.7
335.25790	82.8
336.26120	6.7
399.23737	8.5
400.24438	0.6
410.20767	0.7
415.31400	0.6
477.35889	4.4
478.36014	0.7
489.29181	1.2
489.35773	17.0
490.35995	2.2
561.37665	5.2
579.38507	2.0
659.34271	0.9
659.45129	14.5
660.45178	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	856.5408
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	2.2
61.36032	0.9
65.03932	4.4
67.05504	87.0
69.03426	9.4
69.07066	44.8
69.17537	8.5
70.07375	1.3
71.04991	8.3
73.02919	1.6
79.05492	69.2
80.05833	1.8
81.03415	15.8
81.07056	100.0
82.07388	1.8
83.04974	14.9
83.08617	18.3
85.02908	6.6
85.06540	6.1
86.09721	1.2
87.04452	1.6
91.05479	65.9
92.05817	1.7
93.07043	80.8
94.07373	2.4
95.04973	13.9
95.08604	44.7
96.08920	1.0
96.46259	1.1
97.02891	6.1
97.06525	19.9
97.10175	11.7
98.22568	2.4
99.04443	2.6
99.08072	2.8
102.27970	1.1
103.03928	1.5
103.05447	2.1
105.04513	2.9
105.07027	54.0
106.07315	1.3
107.04959	12.4
107.08588	48.1
108.08905	1.9
109.02853	1.3
109.06548	8.8
109.10157	18.2
110.57961	1.0
111.04481	2.2
111.08064	8.0
113.05958	1.4
113.09626	1.6
115.05468	3.2
117.07014	23.1
119.04893	1.6
119.08580	35.7
120.08913	1.4
121.06517	6.1
121.07245	1.0
121.10137	24.1
123.04462	1.5
123.08058	5.8
123.11709	5.3
125.09616	10.3
127.03906	4.8
127.07528	1.5
128.06210	2.2
129.05495	1.8
129.06998	9.8
130.07796	1.5
131.04956	1.4
131.08568	32.8
133.06499	4.1
133.10127	30.6
134.10408	1.3
135.08066	7.2
135.11700	21.4
136.12053	1.2
137.05942	1.3
137.09621	6.0
139.07530	1.7
139.11211	1.9
141.06995	4.6
142.07745	2.1
143.08536	9.1
145.04837	1.3
145.06453	2.6
145.10120	23.8
146.10484	1.5
147.08014	4.0
147.11681	15.8
149.09616	17.7
149.13255	16.3
150.09920	1.1
150.34515	1.0
151.07526	1.0
151.11150	2.4
153.09065	2.4
155.08546	5.2
157.06436	1.5
157.10106	10.3
159.08035	2.8
159.10361	1.5
159.11694	23.2
160.12048	1.5
161.09641	3.4
161.13278	6.1
163.11194	13.7
165.09117	1.6
165.12752	2.0
168.60960	0.9
169.10139	5.2
171.10291	1.8
171.11641	7.0
173.04445	3.0
173.09567	2.7
173.11877	1.5
173.13228	7.7
175.07440	1.2
175.11185	2.8
175.14806	1.3
177.12769	6.4
179.14310	4.5
181.10088	1.2
181.12263	2.5
183.11700	5.6
184.07365	1.9
184.52107	1.2
185.13240	3.1
187.11130	2.9
187.14793	2.1
189.11198	4.5
189.16296	2.5
193.12231	1.6
195.11957	1.8
195.13806	10.1
197.13240	3.8
199.11153	1.2
199.14793	2.4
201.16353	1.6
207.13878	1.4
211.14793	1.9
213.14772	1.4
215.18018	1.7
219.13713	1.5
221.13293	1.7
223.13202	1.8
227.12718	9.6
228.13182	1.6
229.14133	1.9
229.19513	3.3
231.17297	1.3
236.14949	6.0
237.94109	1.2
239.18042	5.4
245.13818	1.4
247.20584	4.1
251.16365	2.8
253.14445	3.0
253.18092	2.2
255.15897	14.2
257.19016	10.2
267.15897	2.7
269.17474	36.8
270.17786	3.0
273.18536	1.8
275.20068	45.3
276.20468	4.3
291.19583	3.3
292.19867	2.0
293.21146	5.5
311.85715	1.2
315.22913	1.2
329.21085	1.2
331.22617	3.0
349.23703	39.1
350.23917	3.2
365.23123	1.3
367.24704	6.3
390.24567	2.2
433.30905	1.3
435.27127	2.1
439.26685	2.2
445.29300	2.4
449.29083	16.0
450.29346	2.6
451.32010	2.1
463.30521	28.3
464.31006	3.5
503.33783	1.4
515.37476	1.9
525.35425	5.1
529.35077	5.6
530.35156	1.8
543.36816	30.9
544.36853	4.7
559.35901	1.3
561.37415	5.2
605.41815	1.4
623.42694	4.8
641.43439	4.8
856.44885	5.0
856.59344	1.9
857.46893	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	856.5774
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	2.0
65.03919	2.8
67.05505	100.0
69.03426	7.4
69.07064	26.5
69.28877	2.9
69.29287	8.6
71.04997	10.5
79.05492	69.8
81.03416	11.4
81.07056	83.5
82.07396	1.9
83.04986	9.3
83.08627	16.6
85.02914	4.4
85.06541	3.4
87.04478	1.9
91.05478	47.9
93.07043	73.3
94.07369	1.9
95.04974	11.5
95.08602	52.7
97.02885	3.6
97.06533	12.2
97.10173	5.9
99.08102	1.9
105.04514	3.1
105.07025	34.7
107.04955	5.4
107.08594	44.2
109.06517	5.5
109.10145	30.8
109.10878	1.9
111.04447	3.0
111.08095	5.9
117.07017	18.8
119.08566	22.9
121.06532	4.7
121.10141	28.7
123.08133	3.8
123.11703	6.7
125.09645	5.1
128.06221	2.4
129.05511	2.1
129.07031	3.9
131.08571	23.2
133.06506	3.0
133.10138	20.9
135.08092	3.5
135.11678	19.7
137.09589	3.1
139.11192	2.0
141.07004	2.0
143.08565	4.6
145.10136	14.3
147.08095	2.4
147.11705	12.0
149.09634	6.5
149.13257	11.5
151.11246	2.1
155.08501	1.5
157.10127	4.2
159.11688	12.8
161.13225	7.6
163.11183	5.6
163.14760	1.8
165.09134	2.0
165.12837	1.6
171.11705	4.3
173.09685	1.8
173.11739	4.1
173.13283	8.2
175.11287	1.9
175.14842	3.2
177.12779	4.3
179.14384	1.6
183.11635	1.9
185.13301	3.2
187.14864	2.7
189.11224	2.4
195.11957	1.6
195.13788	4.9
199.14839	2.2
201.16428	2.0
220.14642	1.5
227.12764	5.9
229.14360	23.7
235.16994	1.9
239.17915	2.1
243.21193	3.5
257.19000	4.9
261.22067	11.9
267.15872	5.3
269.17450	8.8
275.20139	15.2
281.61874	1.8
300.64664	1.8
303.23096	2.0
317.24631	2.7
331.22699	3.1
333.24188	2.3
335.25800	63.7
336.25940	3.8
339.18088	2.8
349.23636	11.6
363.25314	2.4
366.02701	1.6
381.26660	3.6
413.21692	5.1
437.34369	1.7
489.35571	13.3
489.66614	1.7
497.88010	1.9
507.37100	2.3
527.37189	2.4
529.38904	65.3
530.39209	6.2
561.37811	3.8
569.42297	12.5
609.45135	17.1
610.44946	1.8
627.45575	3.1
641.47070	6.5
673.42767	6.2
857.48218	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	859.4296
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	5.9
67.05501	4.8
68.99810	0.5
69.03435	3.4
69.07081	1.2
71.04982	3.5
71.31845	0.5
73.02906	4.6
79.05502	2.1
81.02971	0.5
81.03422	2.5
81.07056	5.6
83.08633	1.1
85.02901	7.4
85.06532	0.6
91.03945	4.3
91.05466	3.3
93.07043	3.7
95.04987	0.9
95.08620	1.4
97.02889	6.5
97.06555	1.1
99.04469	1.9
99.08098	0.7
101.02402	2.4
103.03928	0.7
105.07063	1.5
107.08620	2.5
109.02840	0.7
109.10204	0.9
117.07021	0.6
119.08620	1.1
121.10153	0.8
123.11775	1.0
127.03957	2.3
131.08607	0.7
133.10173	1.9
135.11707	1.0
145.05038	0.9
149.13272	2.2
151.11264	1.0
159.11758	1.0
185.04248	1.2
195.13896	0.9
203.05296	0.8
235.13051	1.0
243.08449	2.7
267.15881	1.6
334.51337	0.6
347.09579	2.5
363.09195	0.8
365.10580	0.9
405.13583	5.5
413.17892	1.3
453.21002	7.7
485.23483	6.8
575.23511	1.7
615.26141	6.9
616.27075	1.0
647.28741	6.4
697.37158	1.9
729.36963	2.6
755.40002	1.1
758.37408	0.7
787.37225	7.9
788.37079	1.4
859.42889	100.0
860.43158	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	859.48
Annotation	Pectenotoxin 2
Peak:m/z	Relative Intensity
61.02924	4.1
65.03971	0.4
67.05499	6.6
68.05847	0.4
69.03425	3.2
69.07073	3.8
69.88089	0.9
69.88481	0.5
71.05010	1.1
73.02910	3.4
79.05500	5.5
81.03419	2.8
81.07056	6.8
83.05005	1.1
83.08644	1.9
85.02902	3.5
91.03957	2.0
91.05474	4.7
91.81015	0.3
93.07046	5.1
95.04969	1.6
95.08611	2.6
97.02891	5.3
97.06533	1.0
97.10179	2.1
98.22638	0.5
99.04486	0.8
99.08123	0.6
101.02389	1.4
103.03971	0.4
105.07031	2.6
106.32354	0.3
107.04954	0.9
107.08599	3.8
109.02898	1.0
109.06538	0.5
109.10146	2.1
111.08054	0.7
117.07048	1.6
119.08571	2.7
121.06544	0.7
121.10181	1.4
123.08096	0.5
123.11726	0.4
125.09680	1.2
127.03957	1.1
129.07022	0.7
131.08601	1.5
133.10100	1.7
135.08104	0.8
135.11719	1.0
143.08580	0.6
145.10153	1.0
147.11697	0.5
149.09592	0.5
149.13225	0.5
157.10126	0.8
159.11722	0.6
163.11252	0.8
185.04318	0.6
203.05359	0.7
217.06613	0.3
223.13344	1.0
243.08395	4.1
259.07849	0.5
291.19656	1.6
301.09052	0.6
313.08954	0.3
331.18900	1.3
333.20517	1.0
335.26025	0.6
369.15335	0.4
387.21378	0.4
439.19611	1.0
453.21054	1.4
454.22534	0.3
469.20456	0.5
549.26733	6.9
550.27051	0.6
551.28174	5.7
552.28705	0.7
721.15271	0.4
761.41180	0.8
859.48053	100.0
860.48383	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	859.4811
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	3.0
65.81776	0.2
67.05506	5.4
69.03430	2.4
69.07076	3.8
69.34242	1.9
71.04999	1.0
73.02914	2.5
73.03239	0.3
76.95422	0.3
79.05492	4.8
81.03434	1.9
81.07055	5.2
82.07444	0.4
83.05013	0.8
83.08620	1.3
85.02901	3.6
85.03358	0.4
91.03929	1.4
91.05473	3.0
93.07053	4.0
95.04974	0.9
95.08617	2.4
97.02898	3.3
97.06570	0.8
97.10176	1.4
98.22634	0.4
98.29892	0.3
99.04482	0.6
99.08083	0.3
101.02367	1.5
103.03992	0.4
105.07046	2.1
107.04981	0.6
107.08607	2.4
109.02905	0.4
109.06537	0.6
109.10155	1.6
111.08109	0.4
115.03894	0.3
117.07027	0.6
119.08585	1.4
121.06538	0.3
121.10139	1.3
123.08104	0.6
123.11774	0.3
125.09649	1.7
127.03952	0.9
129.06963	0.3
131.08565	1.3
133.10190	1.2
135.08109	0.6
135.11755	0.9
137.06075	0.3
137.09677	0.6
145.10133	0.6
147.06995	0.3
147.08147	0.5
147.11720	0.6
149.09619	0.6
149.13286	0.5
155.08604	0.3
157.10149	0.4
159.11725	0.5
161.13261	0.4
163.11241	0.4
171.11649	0.4
177.12862	0.3
184.07378	0.4
185.04344	0.6
189.11243	0.4
203.05316	0.6
223.13423	1.1
223.19067	0.3
243.08401	3.6
244.08698	0.3
247.48021	0.3
273.18570	0.4
291.19653	1.0
294.58405	0.3
301.08972	0.6
325.70322	0.3
331.18994	1.2
333.20267	1.4
335.26001	0.4
387.21396	0.4
389.23065	0.6
439.19656	1.0
453.21204	0.6
469.20593	0.4
533.27673	0.3
549.26666	6.3
550.27448	0.8
551.28229	7.5
552.28876	0.5
761.40179	0.6
841.47119	0.8
859.48096	100.0
860.48425	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	861.4537
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	2.3
69.33796	6.4
79.05479	1.2
80.85952	0.8
81.07055	2.7
83.08610	1.2
91.05467	1.1
93.07034	2.2
95.08599	4.6
98.22549	1.7
107.08601	1.3
109.10165	1.8
119.08635	1.3
120.22886	0.8
121.10125	1.5
133.10146	1.3
137.05981	1.6
137.13293	1.0
149.13445	0.9
184.07544	1.0
203.18039	1.0
217.05006	1.0
245.38303	0.9
266.82269	0.9
277.63892	1.0
291.31302	1.1
304.48090	1.0
363.08258	1.6
423.10474	96.9
424.10678	6.9
443.18323	1.0
464.12439	1.9
485.84949	0.9
497.15305	1.0
528.87842	1.0
540.09192	1.0
724.46686	1.1
775.43115	1.2
861.45380	100.0
862.45673	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	861.4773
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02359	0.8
65.03944	0.9
67.05491	1.4
69.04401	2.6
69.04823	2.1
69.07053	1.9
78.04704	0.5
79.05494	2.7
81.07061	4.9
83.04990	0.6
83.08616	0.7
86.09695	0.7
89.03909	7.7
91.05473	10.3
93.07043	3.8
94.04169	0.6
95.04965	1.7
95.08602	5.2
98.22581	0.8
100.32762	0.6
102.04685	0.7
103.05483	1.9
105.03374	0.7
105.07031	7.5
107.04936	1.2
107.08578	6.1
109.06520	1.3
109.10136	4.0
115.05450	1.4
117.03373	23.5
117.06982	1.6
118.03714	0.6
119.04945	7.9
119.07827	0.8
119.08582	7.7
120.38058	0.5
121.06512	0.7
121.10149	4.8
122.03625	1.0
123.04400	0.6
123.08086	1.1
123.11715	1.9
124.05224	0.6
125.09580	1.1
130.04135	1.7
131.04900	1.7
131.08554	3.6
133.02855	1.2
133.06473	2.4
133.10114	5.4
134.03635	2.3
135.04413	2.0
135.11702	1.5
137.05969	21.9
137.09590	0.5
143.04897	0.7
143.08574	1.8
145.02840	58.2
145.06487	1.8
145.10114	6.5
146.03189	1.5
147.04395	8.2
147.11661	3.4
149.05965	8.6
149.09558	0.6
149.13266	1.3
150.06779	2.3
151.03891	0.6
151.07527	3.5
153.05496	1.3
157.10168	1.1
158.03609	1.0
159.11674	4.5
160.05215	0.7
161.05960	5.2
161.13145	2.3
162.06763	8.1
163.04010	0.6
163.14803	1.7
173.05930	3.8
173.13252	2.2
175.03920	2.6
175.14807	2.7
177.05464	100.0
177.16322	1.3
178.05812	3.0
179.07010	9.0
180.07707	0.8
183.11633	0.9
185.13223	0.7
186.03171	0.7
186.05539	1.9
187.14804	5.3
189.16402	5.8
191.14453	1.3
191.17880	1.0
193.04988	1.8
195.06425	1.0
199.14777	1.6
201.05461	13.9
201.16356	5.6
203.07082	0.6
203.17960	1.6
204.04103	1.1
205.06499	1.0
205.15797	0.8
207.06516	0.8
213.16380	3.2
215.17955	4.5
217.16023	0.6
219.06506	5.6
219.17458	2.5
227.17952	0.8
231.06508	1.9
231.17383	0.5
233.06013	1.0
233.18890	0.7
234.06834	0.7
235.16904	1.7
243.21011	0.5
247.16869	1.1
249.07466	1.0
255.21198	0.6
261.18430	1.0
265.08609	1.9
267.21051	1.0
277.08466	1.3
292.07336	0.8
293.08044	1.6
297.11075	0.6
305.07938	1.7
307.09641	2.2
323.09122	5.9
325.10663	7.1
337.10754	3.8
341.10001	0.6
343.11584	3.1
355.11710	5.0
373.12775	2.2
389.32043	1.3
407.32925	4.3
409.34482	0.6
435.32947	0.8
453.33688	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	861.4961
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	5.0
67.05499	7.8
69.03430	3.8
69.07086	1.5
69.12987	7.2
69.50983	0.7
73.02917	3.8
75.74274	0.6
79.05495	3.3
81.03412	1.7
81.07053	4.2
83.04955	0.7
83.08630	1.3
85.02912	5.5
86.60896	0.8
88.50550	0.7
89.06021	0.9
91.03958	3.0
91.05457	2.3
93.07063	4.9
95.08602	3.2
97.02896	5.8
101.02378	1.9
104.43015	0.8
105.07028	1.7
107.08575	2.0
109.10155	5.4
110.10484	0.7
119.08580	2.1
121.10130	1.6
127.03931	1.8
131.08638	0.9
133.10077	1.2
145.10190	0.8
173.11740	1.3
185.04216	1.8
195.09950	1.0
229.14662	1.1
243.08473	1.5
301.08948	2.6
315.10455	0.8
373.11136	1.2
374.67557	0.8
385.18469	1.1
413.17844	6.1
415.17914	0.8
469.20358	1.2
519.29291	7.7
520.28955	1.2
549.26373	1.0
578.30164	2.8
625.26160	1.6
633.71649	0.9
662.39679	1.9
691.40253	100.0
692.40619	13.9
719.42883	2.6
741.07385	0.9
747.41895	2.3
814.57660	1.0
861.50165	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	861.5325
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	4.5
65.03966	0.4
67.05508	5.1
69.03439	2.8
69.07069	2.1
69.25050	1.0
69.25471	1.4
71.05001	1.5
73.02912	3.3
79.05492	3.0
81.03410	1.9
81.07059	4.8
81.07510	0.4
83.04989	0.5
83.08628	0.8
85.02898	4.2
85.03352	0.4
91.03954	2.7
91.05488	2.6
92.04594	0.3
93.07043	3.7
95.04964	0.4
95.08600	3.0
96.08932	0.3
97.02900	3.6
97.06563	0.5
97.10166	0.7
98.22607	0.6
99.04471	0.7
101.02402	1.4
105.07014	1.6
107.08595	1.9
109.02940	0.7
109.10172	1.5
111.08122	0.4
115.03986	0.6
117.07012	0.9
119.08573	1.7
121.10179	2.0
127.03975	1.1
131.08611	1.3
133.10127	0.8
135.11757	1.1
145.10219	0.5
149.13269	0.4
159.11754	0.6
163.14899	0.4
185.04347	0.7
238.54953	0.3
243.08386	1.7
335.25998	0.5
365.05920	0.4
365.22983	3.3
413.17856	0.5
421.25510	0.7
439.19037	0.5
499.08124	0.4
513.22528	0.3
519.29181	6.1
519.36194	0.5
520.29779	0.5
583.30847	4.7
584.31329	0.6
590.81653	0.4
691.40381	0.9
717.42059	0.4
861.53271	100.0
862.53595	15.4
877.57843	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.5466
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05635	0.4
61.02642	0.4
61.02922	5.7
64.00175	0.4
65.03915	1.2
67.05505	29.2
68.05827	0.4
69.03400	1.2
69.07067	13.0
71.04990	1.9
71.08635	14.9
72.49928	0.4
73.02921	2.2
73.03236	0.4
75.82225	0.3
79.05500	13.7
81.03391	1.3
81.07057	38.2
83.04985	2.9
83.08617	10.4
85.02910	6.4
85.06567	2.6
85.10185	8.8
89.06032	0.7
91.03952	5.0
91.04954	0.6
91.05473	7.1
93.07045	24.8
94.07345	0.6
95.04961	2.2
95.08607	17.2
97.02895	4.5
97.06532	4.2
97.10179	3.3
98.23321	1.4
99.04458	0.7
99.08057	1.4
99.11736	0.6
105.04459	0.5
105.07038	2.8
107.08599	14.0
109.02830	0.4
109.06492	1.5
109.09442	0.4
109.10155	5.9
111.08085	3.3
111.11693	0.9
113.06020	0.5
113.09623	0.5
117.07011	4.2
119.08522	1.1
121.06471	1.0
121.10145	8.5
123.11697	2.2
125.09686	0.5
127.03876	1.5
131.08557	3.5
133.10138	3.0
135.08076	0.8
135.11699	3.4
137.13277	0.5
139.11169	0.8
145.04945	1.7
147.11728	0.7
149.09572	0.7
149.13257	15.2
151.11151	0.6
159.11700	5.8
163.06046	2.2
177.12779	2.8
184.07303	0.5
195.13837	5.8
200.81767	0.4
213.14824	1.0
239.23833	1.0
257.24771	0.9
269.17471	91.2
270.17853	4.7
313.27359	53.8
314.27670	3.1
507.40451	100.0
508.40787	11.1
702.65277	0.4
769.00690	0.4
777.54468	0.5
866.19586	0.4
885.98834	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03940	2.4
67.05505	1.2
68.99781	10.5
69.03426	0.8
69.78807	4.0
81.03433	1.6
83.05003	1.2
85.02910	1.4
89.03939	2.7
91.05505	1.3
93.03400	1.6
95.04967	2.1
105.03426	0.9
107.04932	6.7
107.79479	0.9
109.02930	1.4
111.00797	8.3
111.04444	7.4
116.88120	0.7
117.03402	1.3
119.04929	2.2
121.02879	1.4
123.04422	56.5
124.04780	1.6
127.03906	57.7
128.04254	2.3
131.04932	2.8
133.06494	1.3
135.04407	52.4
136.04747	2.1
137.02336	4.9
137.06010	1.6
139.03885	39.1
145.02809	1.0
145.06456	0.8
147.04390	8.5
149.02322	9.3
149.05997	1.9
151.03886	13.4
153.01784	1.3
155.04932	1.8
157.06473	1.6
159.04422	2.8
161.06027	3.6
162.03163	0.8
163.03889	51.3
164.04240	1.4
165.01743	0.9
165.05493	4.4
167.03445	4.9
169.05095	2.0
169.06415	1.6
171.04414	0.8
173.05934	3.7
175.03874	3.7
177.05469	6.9
179.03418	8.5
181.04977	1.4
183.04443	2.3
185.05957	1.9
187.03877	6.2
189.05510	3.3
190.79205	0.8
191.03404	9.6
191.06953	1.0
193.04918	1.7
197.06018	2.6
199.03871	1.0
201.05467	7.3
203.03372	13.7
203.07030	2.7
205.05028	2.7
209.06046	1.1
213.05452	3.8
215.03360	4.0
215.06981	1.9
217.04929	4.1
223.02350	1.8
225.05415	1.9
229.04939	12.0
231.06494	4.7
233.04411	4.2
241.04964	1.8
243.03157	0.8
243.06439	3.6
244.03593	0.8
245.04439	100.0
246.04756	4.8
247.06003	51.5
248.06389	2.1
253.05020	3.0
255.06546	2.9
257.04443	15.6
258.05115	1.4
259.06015	9.4
261.07565	3.0
263.05386	1.9
265.04996	1.6
267.06552	1.4
269.04431	4.1
271.05984	18.0
272.06516	1.4
273.07559	1.1
274.04669	5.4
275.05447	25.0
276.05951	1.6
281.04535	1.9
283.06039	8.0
285.03967	3.1
285.07449	1.7
286.04663	1.0
287.05457	18.9
289.07013	22.4
291.08621	9.1
295.05948	2.6
297.03986	1.5
297.07550	1.7
299.05527	5.3
301.07065	10.3
303.05045	1.5
303.08585	1.3
307.05991	1.1
309.03998	1.6
311.05600	2.0
313.07141	1.5
321.07413	1.2
323.05521	1.7
337.06955	1.0
351.04871	2.7
361.07101	2.1
365.06644	2.6
373.07111	1.1
377.06509	1.3
379.08060	2.5
383.07669	2.6
389.06323	1.8
391.08133	2.7
393.06009	3.4
395.07629	1.5
397.09027	8.8
405.06061	2.0
407.02243	1.4
407.07599	29.4
408.07916	1.8
409.09149	18.8
410.09415	1.9
411.10791	2.6
419.07565	6.3
421.09393	1.3
422.57483	0.9
425.08673	5.7
427.10303	8.4
431.07394	1.0
433.08820	1.3
437.08667	7.9
439.10355	1.5
449.08524	2.1
451.10275	4.0
453.11801	1.0
517.11072	1.9
523.62097	0.7
527.09607	1.9
535.12592	1.9
541.11145	1.5
545.10614	3.2
557.10260	1.1
559.12329	1.1
571.12512	1.1
579.14893	1.2
581.79810	0.8
679.13794	0.9
697.14703	2.3
814.92334	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
61.31416	0.6
65.03939	2.3
67.05474	1.0
68.99780	8.2
70.57796	1.0
77.03934	1.1
79.05482	1.6
81.03407	3.7
83.04971	1.0
85.02895	0.8
89.03915	1.7
89.19787	0.5
91.05472	1.9
92.56842	0.6
93.03394	1.6
95.04958	2.1
98.69850	0.6
99.04461	1.0
103.05489	1.0
107.04942	4.8
109.02845	4.4
111.00806	6.8
111.04437	7.7
115.05441	0.8
117.03393	1.3
119.04949	2.8
121.02869	2.5
123.04425	61.5
124.04732	1.6
127.03907	100.0
128.04245	2.4
131.04906	2.7
135.04407	57.9
136.04727	1.4
137.02376	3.7
137.05934	0.9
139.03889	39.3
140.04240	1.1
141.06998	1.4
143.04904	1.0
145.02835	0.9
145.06516	0.9
147.04375	8.5
149.02324	5.9
149.05971	2.7
151.03891	13.3
153.01862	1.5
153.05457	0.7
153.06889	0.8
155.04927	1.5
157.06473	1.3
159.04442	3.9
161.02321	1.0
161.06018	3.6
163.03894	51.6
164.04286	2.1
165.05484	5.8
167.03391	5.7
169.04980	1.7
169.06502	2.5
173.02390	0.7
173.05942	4.9
175.03867	2.8
176.04642	0.5
177.05493	5.1
179.03383	7.9
181.04935	1.7
181.06421	0.9
183.04396	1.7
185.05966	1.7
187.03850	6.9
187.05058	0.6
187.07523	0.7
188.04338	0.9
189.05415	2.9
191.03389	7.6
193.04965	1.6
197.05995	4.9
198.06371	0.6
199.04024	0.7
201.05452	8.6
203.03392	9.9
203.07034	1.9
204.04001	0.7
205.04915	3.9
207.06485	1.5
213.05452	3.1
215.03406	2.5
215.06993	3.0
217.04887	2.4
219.06595	1.1
221.04356	1.0
223.02336	1.3
225.05470	2.1
227.06944	0.6
229.04935	12.3
231.02914	0.7
231.06552	2.9
233.04483	3.4
237.05389	1.3
241.04929	2.5
243.06441	4.9
245.04442	49.7
246.04767	2.4
247.06001	40.4
248.06419	1.4
253.04913	1.8
255.06551	2.7
257.04459	12.1
258.05063	2.0
259.06030	7.5
261.07562	2.1
263.05484	1.4
267.06503	0.9
269.04480	4.1
271.05969	20.8
272.06348	0.8
273.07574	1.7
274.04633	3.1
275.05457	16.4
279.06442	0.8
281.04388	1.2
283.05945	7.7
284.06415	0.9
285.04019	1.4
285.07379	1.6
287.05493	18.8
288.05740	1.0
289.07025	28.6
290.07446	1.4
291.08630	15.8
292.08768	1.0
295.05972	1.9
297.03955	1.4
297.07407	1.2
299.05438	4.4
301.07019	7.5
303.05450	0.7
303.08667	2.7
307.05667	0.6
309.03900	1.9
311.05325	0.9
313.06921	2.0
323.05460	2.7
335.05435	1.0
345.07724	0.6
351.04910	1.1
358.79651	0.8
361.06882	1.6
363.08609	0.8
365.06577	1.2
379.07938	2.4
383.07574	2.2
389.06372	1.4
391.07962	1.8
393.05780	3.2
395.07669	1.1
397.09262	4.2
403.78226	0.6
405.05887	2.1
407.07590	17.0
408.08072	1.7
409.09137	19.4
410.09433	1.4
411.10883	3.9
417.05795	1.1
419.07611	2.9
420.08154	0.6
421.09073	2.6
425.08685	6.8
426.08847	0.9
427.10297	8.8
428.10443	0.9
431.07281	1.0
433.09085	2.4
435.10596	1.3
437.08679	5.9
439.09805	1.6
449.08765	0.9
451.10135	2.4
453.11554	1.2
517.11206	2.2
527.09515	2.2
541.10901	1.0
545.10498	2.6
559.11829	0.7
561.13599	1.0
577.13434	0.8
579.14795	4.1
589.12598	0.8
679.13727	2.0
697.15076	1.5
732.05157	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03924	2.4
67.01857	1.0
67.05508	0.8
68.99784	10.2
70.43855	1.7
71.13449	0.6
77.03939	1.2
79.05481	1.5
81.03420	3.6
83.04973	2.3
83.57138	0.6
85.02892	0.8
89.03905	2.1
91.05468	1.0
91.92411	0.6
93.03396	2.7
95.01321	0.5
95.04959	2.2
99.04434	1.6
103.05458	1.0
105.03389	2.3
107.04955	7.1
109.02874	4.6
111.00793	12.8
111.04424	5.3
115.05463	1.0
117.03374	1.9
117.07022	0.7
119.04938	2.1
120.33390	0.6
121.02868	2.1
123.04421	63.0
124.04772	1.7
125.38606	0.6
127.03908	80.0
128.04259	1.7
129.07013	0.9
131.04953	3.0
135.04407	59.2
136.04726	1.3
137.02324	4.6
137.05902	1.2
139.03889	38.7
140.04268	1.0
141.06914	0.9
143.04918	1.5
145.02820	0.9
145.06467	1.6
147.04398	8.6
149.02335	9.2
149.05972	2.4
150.02927	0.7
151.03899	12.1
153.01851	0.6
153.06955	1.0
155.04878	2.0
157.06514	1.3
157.75845	0.6
159.04442	4.0
161.02347	1.3
161.05940	4.4
163.03894	59.6
164.04294	1.9
165.01819	0.8
165.05487	5.5
167.03442	4.4
167.04747	0.9
169.04977	3.3
169.06488	1.8
173.02318	0.6
173.05981	5.7
175.03893	4.6
175.07629	0.6
176.04486	0.5
176.23512	0.6
177.05466	7.7
179.03355	8.6
179.04813	0.9
181.04875	1.8
181.06514	1.9
183.04411	2.9
185.05954	1.5
187.03845	6.6
187.07547	1.0
189.05470	3.9
190.02567	1.1
191.03371	11.6
193.04959	2.5
197.05936	4.5
201.05453	9.0
203.03392	14.4
203.07063	1.9
204.03873	1.1
205.04906	3.7
207.02884	0.8
209.06052	0.6
213.05402	2.8
215.03426	4.9
215.06996	2.9
217.04909	3.5
219.06519	1.3
223.02281	1.6
225.05428	2.3
227.03313	0.7
227.06953	1.0
229.04912	11.4
230.05370	1.0
231.02922	1.3
231.06464	1.5
233.04388	3.5
235.02325	1.0
237.05513	1.6
241.04962	3.3
242.05711	0.6
243.02834	1.4
243.06438	4.9
244.03557	1.6
245.04439	100.0
246.04790	4.8
247.06001	48.9
248.06371	2.4
249.03654	0.7
253.04938	2.2
255.06427	2.8
257.04462	13.6
258.05017	2.3
259.05969	9.6
260.06534	1.3
261.07565	1.6
263.05420	1.3
265.04974	1.0
267.06396	1.4
269.04358	3.7
270.05292	0.9
271.05972	24.1
272.06323	0.9
273.03662	0.8
273.07651	1.1
274.04614	4.6
275.05469	26.3
276.05887	1.5
279.06403	0.8
281.04355	3.1
283.05984	11.8
284.06366	1.3
285.03925	1.9
285.07367	1.3
286.04706	1.0
287.05447	20.9
288.05731	1.5
289.07007	21.4
290.07309	0.8
291.08603	9.2
295.05972	2.8
297.03946	1.9
297.07248	0.8
299.05502	5.2
301.07092	9.5
303.05060	1.8
303.08557	1.4
307.05963	1.8
309.04016	3.3
309.07080	0.9
311.05469	2.3
313.06946	2.0
321.03995	0.8
321.07516	1.3
323.05481	2.5
331.08234	1.3
333.07480	1.0
335.05573	1.1
337.07001	0.7
341.06479	0.8
345.07611	0.9
351.05014	2.2
361.07037	2.3
363.08685	0.9
365.06540	1.8
377.06381	1.0
379.08267	3.1
381.09683	0.9
383.07571	2.5
389.06503	2.9
391.08051	2.0
393.05939	4.5
395.07526	1.8
396.08313	1.8
397.09177	9.0
398.09622	1.2
405.05847	3.3
407.07565	30.9
408.07959	2.2
409.09174	20.1
410.09247	1.0
411.10861	3.1
417.05884	1.4
419.07654	4.9
421.08969	2.9
425.08521	6.7
427.10281	6.0
431.07498	1.6
433.09073	2.6
435.10938	1.3
437.08636	10.6
439.10291	1.3
449.08493	4.0
451.10562	3.0
453.11411	0.7
469.11087	0.8
517.11322	2.1
527.09668	3.3
535.11469	0.6
541.11017	1.8
545.10754	5.7
546.11316	0.9
559.12384	1.1
571.12048	1.2
579.14673	1.9
679.13873	1.3
697.14996	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	867.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
60.82827	0.7
65.03933	2.4
67.01846	0.8
67.05509	1.3
68.99790	10.2
70.08214	1.9
71.26286	0.7
79.05486	1.4
81.03421	4.2
81.56007	0.8
83.04960	1.4
89.03919	2.0
91.05460	1.2
93.03399	2.1
95.04953	2.3
99.04446	1.6
103.05468	1.0
105.72771	0.7
107.04938	6.4
109.02861	3.1
111.00806	7.7
111.04427	6.4
113.83455	0.8
115.05418	0.9
117.03386	1.6
119.04948	2.3
121.02885	1.8
123.04420	60.7
124.04746	1.0
127.03906	100.0
128.04243	2.1
131.04967	3.6
133.06535	0.9
135.04405	57.8
136.04694	1.7
137.02385	3.6
137.05980	1.1
139.03888	48.0
140.04266	1.3
141.06953	1.1
143.04904	1.3
145.02777	1.0
145.06485	1.3
147.04393	9.3
149.02301	7.2
149.05966	2.4
151.03905	14.2
153.05418	0.7
155.04901	2.1
157.06485	1.3
159.04408	4.7
161.02304	0.9
161.05969	4.1
163.03891	56.7
164.04234	2.0
165.04222	0.8
165.05478	4.7
167.03392	6.6
169.04964	2.7
169.06453	2.7
173.05986	5.0
175.03914	2.4
177.05482	8.1
179.03346	8.7
181.04889	1.3
183.04411	1.8
185.05988	1.9
187.03845	9.7
189.05457	2.5
191.03380	11.8
193.04950	2.6
197.06004	4.9
201.05470	9.6
203.03377	14.2
203.07039	2.6
205.01060	0.8
205.04941	3.0
207.02881	1.2
207.06587	1.3
213.05444	3.8
215.03415	2.7
215.07028	2.7
217.04964	2.4
219.06638	1.8
221.04442	0.8
223.02371	1.8
225.05501	2.6
227.03311	1.4
227.07011	0.8
229.04964	10.2
231.03102	0.9
231.06474	2.7
233.04399	4.5
237.05379	1.4
241.04887	2.4
243.02919	0.9
243.06448	6.7
245.04437	55.2
246.04745	2.4
247.05998	46.4
248.06387	1.8
251.05334	1.0
253.05026	2.3
255.06442	3.6
257.04419	14.7
258.05103	1.4
259.06000	10.8
261.07532	2.0
263.05460	1.5
265.05011	1.5
267.06421	0.9
269.04471	5.7
270.74664	0.8
271.05975	24.0
273.07510	1.6
274.04645	2.7
275.05466	20.8
279.06354	1.0
281.04489	1.9
283.05969	12.8
285.04089	1.7
285.07468	1.4
286.04684	0.8
287.05472	20.2
288.05814	1.2
289.07025	26.7
291.05801	1.1
291.08688	16.1
292.08926	0.9
295.06012	3.7
297.04120	1.1
297.07367	1.0
299.05447	5.4
301.07016	12.0
303.08691	1.8
307.06015	1.0
309.03967	2.0
311.05530	1.7
313.07028	1.9
321.07327	1.0
323.05481	2.7
327.04892	0.8
331.08112	1.6
351.04938	2.8
361.07004	1.0
363.08838	0.9
365.06451	1.7
377.06516	1.7
379.08066	1.9
383.07770	3.4
389.06427	2.1
391.08145	2.7
393.06079	5.9
397.09225	6.9
401.06329	1.4
405.05966	3.1
407.02283	1.3
407.07599	20.3
408.07870	1.5
409.09177	22.3
410.09454	1.4
411.10608	4.7
419.07486	4.6
421.08942	2.6
425.08463	7.3
427.10205	12.4
428.10648	1.2
433.08984	2.3
435.10818	1.3
437.08582	6.4
439.10318	1.4
449.08731	2.5
451.10312	4.0
453.11719	1.2
517.11206	3.1
527.09656	3.0
529.10925	0.8
535.11871	1.5
541.11243	1.5
545.10712	5.8
557.10492	1.1
559.11792	0.9
571.11993	0.9
577.13165	1.1
579.14362	3.4
589.12842	1.2
679.14526	1.7
697.15228	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	867.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
61.40594	1.0
65.03933	4.1
67.05500	1.5
68.99778	13.7
69.00141	1.2
69.04804	10.2
71.96391	1.0
77.03952	1.5
79.05494	1.2
81.03409	5.3
81.03834	0.8
83.04971	2.2
85.02898	1.9
89.03923	4.5
91.05470	2.0
91.28473	1.0
93.03415	2.3
95.04950	1.6
99.04451	1.6
103.05471	1.2
105.03415	1.9
107.04953	7.3
109.02885	4.3
111.00788	9.7
111.04436	11.5
115.05461	1.2
117.03384	2.5
119.04930	3.5
120.88844	1.0
121.02878	2.3
123.04417	84.3
124.04743	2.0
127.03904	100.0
128.04276	1.9
131.04916	4.2
135.04402	73.8
136.04758	2.5
137.02318	7.5
139.03889	58.8
140.04285	1.2
141.06982	2.0
145.06505	1.5
147.04398	10.3
149.02293	7.4
149.06029	1.8
150.03114	1.2
151.03906	20.4
155.04900	2.1
157.06491	1.1
159.04424	4.6
161.02299	1.1
161.05962	5.3
163.03891	71.9
164.04395	1.6
165.01862	2.0
165.05490	4.0
167.03415	6.4
169.04970	5.8
169.06427	2.5
173.02501	1.4
173.05960	5.7
175.03931	5.7
177.05432	8.3
179.03389	11.2
181.05045	1.5
181.06531	1.3
183.04430	2.1
185.05975	2.8
187.03850	9.2
189.05473	5.5
191.03374	12.4
193.04933	3.7
197.06013	5.9
201.05446	11.7
203.03383	18.0
203.07080	2.7
205.04945	4.3
211.03923	1.8
213.05476	4.5
215.03404	4.8
215.06964	2.9
217.05031	2.9
219.06532	1.6
223.02448	3.5
225.05525	2.7
227.03311	1.1
227.06898	1.5
229.04967	13.8
231.06456	3.3
233.04378	5.5
235.02428	1.6
239.07118	1.2
240.92461	1.1
241.04904	3.4
243.06450	6.4
244.03709	1.8
245.04434	69.0
246.04797	2.8
247.05992	49.2
248.06450	2.2
253.04984	3.7
255.06509	3.3
257.04449	21.5
258.05148	3.1
259.06015	11.8
261.07614	4.7
263.05466	1.5
265.04953	1.5
267.06512	1.7
269.04437	5.4
271.05975	33.9
272.06317	2.6
273.03970	1.0
273.07599	2.7
274.04700	3.2
275.05475	19.6
279.06308	1.4
281.04413	2.9
283.05948	13.7
285.07559	2.5
287.05438	21.4
289.07050	36.7
290.07187	1.7
291.08673	14.7
295.05991	3.8
296.06897	1.1
297.03833	2.7
297.07214	1.7
299.05515	8.9
301.07034	14.2
303.05069	1.0
303.08636	2.0
307.05905	1.8
309.04120	2.7
311.05490	3.3
313.07108	3.9
323.05573	2.1
325.06750	1.0
327.04895	1.8
329.06625	1.7
331.08170	3.8
335.05594	1.2
341.06619	1.5
349.06818	1.3
351.05032	2.8
361.07208	2.7
365.06436	1.5
377.06479	2.1
379.08054	6.4
383.07666	3.1
389.06702	2.7
391.08200	3.4
393.05994	4.3
395.07205	1.5
397.09079	4.3
400.51276	1.0
405.05997	3.3
407.02277	1.3
407.07590	23.3
409.09137	32.1
410.09079	1.2
411.10864	5.0
419.07761	7.0
421.09128	4.2
425.08560	9.5
427.10248	12.3
433.09314	4.2
435.10489	1.4
437.08688	6.7
439.10153	2.3
449.08640	2.6
451.10181	8.3
469.11292	2.5
484.71573	1.1
517.10974	1.3
527.09613	4.0
529.11908	1.2
541.11298	1.6
545.10669	7.2
553.11133	2.5
557.10236	1.5
559.11755	2.6
571.12415	4.9
577.13281	1.8
579.14771	2.7
589.12506	1.6
697.15094	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	867.3761
Annotation	Unknow
Peak:m/z	Relative Intensity
70.88211	0.6
71.32764	0.7
73.54629	0.6
75.55859	0.5
78.06462	0.5
92.62209	0.5
105.47208	0.6
137.05983	1.3
141.89929	0.5
180.13942	0.5
181.04929	0.7
188.08421	0.6
189.05217	28.2
190.05534	0.8
191.03960	0.5
205.04666	4.2
216.07603	0.6
218.05542	1.8
219.06273	1.9
229.08362	0.8
231.09941	0.7
232.07086	1.8
233.07851	2.5
234.08611	27.1
235.09221	2.4
247.09491	1.2
249.07486	0.8
379.38177	0.5
415.13699	1.5
429.15225	2.9
445.18320	100.0
446.18634	9.5
457.18335	2.4
458.18768	0.5
459.16269	0.9
615.63770	0.6
639.24017	0.7
649.52399	0.6
867.34033	17.2
868.34723	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	867.3767
Annotation	Unknow
Peak:m/z	Relative Intensity
67.46534	0.4
69.02459	1.6
69.02887	1.6
88.15607	0.4
101.16967	0.3
105.07011	0.4
137.05995	0.7
167.07057	0.9
167.51620	0.3
171.00330	0.3
175.03642	0.3
181.05025	0.6
189.05226	24.8
190.05600	1.0
198.29195	0.4
205.04733	1.8
216.07628	0.5
217.08287	0.6
218.05597	0.7
219.06300	1.3
231.10077	0.8
232.07098	0.7
233.07872	1.2
234.08620	21.7
235.09264	2.2
247.09473	0.6
333.77249	0.4
389.60150	0.4
397.12634	0.7
413.15781	0.5
415.13940	0.7
429.15103	1.3
445.18320	100.0
446.18631	8.9
457.18253	0.9
758.35638	0.4
867.33636	6.7
868.34009	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.3762
Annotation	Unknow
Peak:m/z	Relative Intensity
66.65171	0.4
71.32887	0.8
79.05492	0.6
86.33446	0.4
90.99153	0.4
91.05494	0.4
103.05443	0.6
107.04975	0.7
117.07019	0.6
121.75338	0.4
123.04404	1.5
137.05972	1.3
139.03883	0.4
139.65678	0.4
140.04591	0.4
145.06432	0.5
151.03874	0.5
151.07553	0.6
151.62936	0.5
154.50977	0.5
155.07013	0.6
161.05946	0.5
163.91698	0.5
165.42262	0.5
167.07030	4.1
173.06018	0.8
181.04944	3.4
189.05275	1.9
191.07048	0.9
195.06534	0.8
203.07016	0.8
205.04724	0.8
205.08565	0.9
207.06537	0.4
209.08051	0.6
219.06285	4.5
230.32729	0.5
231.09885	0.8
233.07935	1.3
234.08617	29.0
235.09309	1.9
311.09042	0.4
365.10190	0.9
397.12781	4.8
398.13251	0.5
415.13937	0.9
432.24942	0.5
445.18304	100.0
446.12781	0.8
446.18640	9.5
867.31158	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	15.4
65.03931	2.6
65.58537	0.8
67.05501	29.7
69.03431	6.0
69.07059	9.1
69.85345	3.3
71.01350	2.4
71.04987	5.1
73.02911	7.9
75.62903	0.9
76.87127	0.9
79.05040	1.9
79.05490	35.3
80.05814	2.0
80.06249	1.0
81.02958	1.7
81.03416	25.7
81.03892	1.5
81.07052	26.8
82.04194	4.1
82.07377	1.2
83.01338	8.4
83.04517	1.6
83.04977	17.2
83.08617	16.4
84.02106	2.1
84.05744	0.9
85.02903	20.7
85.06540	2.0
91.03953	8.3
91.05477	25.8
93.07040	32.2
94.04173	1.2
95.04964	19.4
95.08607	13.3
97.02891	13.0
97.06535	9.8
97.10165	12.0
98.07306	6.1
99.04444	3.4
99.08063	1.3
103.05466	1.6
105.04454	1.1
105.07027	15.0
107.04250	1.2
107.04952	12.9
107.08588	17.8
109.02863	2.3
109.06504	9.8
109.10146	9.8
110.07324	1.0
111.04446	4.9
111.08086	5.5
111.11726	1.1
116.04713	10.8
117.05470	1.1
117.07019	8.7
119.04885	1.1
119.07744	1.1
119.08573	16.6
120.09312	0.9
121.06508	5.4
121.10142	10.7
123.04420	2.0
123.08054	13.7
125.05990	2.3
125.09611	15.1
127.03928	4.2
127.11203	1.3
129.05469	25.5
129.07002	4.0
130.07747	0.8
131.04897	1.4
131.08571	7.3
133.06467	1.4
133.10132	4.9
135.08054	4.2
135.11678	13.9
137.05940	2.4
137.09616	4.3
139.07538	1.5
143.07022	5.8
143.08391	1.1
145.04913	4.1
145.06499	1.2
145.10117	17.4
147.08038	3.3
147.11661	4.0
149.05980	1.1
149.09608	2.5
151.07582	1.4
151.11105	1.0
153.05437	0.9
153.12750	4.0
155.08467	1.0
157.08591	12.9
157.10109	3.3
158.05753	1.8
161.09622	1.0
163.03960	0.9
163.05984	2.7
163.07404	1.0
163.11183	27.6
165.09074	1.2
165.12791	1.0
167.07007	1.5
171.06505	2.6
171.10191	4.1
173.09641	5.0
173.11702	1.9
175.11211	3.0
181.04947	2.5
181.12257	5.9
185.11731	1.6
189.11188	7.6
191.10635	5.6
193.12215	2.9
195.10011	0.9
199.13255	6.2
200.14075	2.7
201.14859	2.0
203.06786	0.8
209.11714	14.5
209.13495	1.2
210.12556	2.1
211.13185	2.6
227.12759	18.5
228.13255	1.3
255.15909	1.2
265.14319	1.3
267.15912	8.0
283.15390	91.1
284.15768	6.0
285.11090	1.1
285.17068	1.5
301.16443	75.8
302.16867	4.4
304.10406	1.1
311.22049	1.7
337.16357	4.3
365.19843	1.4
383.22086	1.6
407.24222	1.2
425.25201	2.4
436.24124	1.4
437.25256	10.0
457.25378	2.5
474.26123	2.3
475.26932	10.7
491.26437	3.7
492.27182	8.4
493.28223	1.8
509.27417	100.0
510.27966	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	870.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02644	0.9
61.02929	16.7
65.03931	4.5
66.04700	0.9
67.05502	55.3
68.05832	1.0
69.03066	1.3
69.03421	12.9
69.07066	14.8
70.04212	0.8
70.82816	0.8
71.01338	2.8
71.04988	8.5
71.08616	0.9
73.02915	10.9
73.06578	0.8
74.74078	0.7
79.05490	52.3
80.06258	1.7
81.03416	100.0
81.07056	50.4
82.03730	2.0
82.04176	6.0
83.04980	34.7
83.05387	0.8
83.08617	39.7
84.02114	1.9
84.05766	1.0
85.02902	43.4
85.06533	3.2
87.04454	1.4
91.03957	11.6
91.05478	56.4
92.05812	1.4
93.06443	1.7
93.07040	35.5
94.04193	1.0
94.07324	1.1
95.04968	49.3
95.08025	1.3
95.08606	18.6
97.02896	18.5
97.06535	12.1
97.09597	1.4
97.10170	19.3
98.07315	6.9
99.04471	2.4
99.08085	3.2
101.06017	1.9
103.05441	2.1
105.04527	1.6
105.07030	35.4
107.04949	17.6
107.08591	20.7
109.02876	2.4
109.06512	10.2
109.10155	14.9
111.04427	7.6
111.08080	22.0
113.06012	3.8
115.03932	1.7
115.05447	3.1
116.04710	13.2
117.05465	1.3
117.06994	6.9
119.04863	0.9
119.08575	30.9
120.08875	1.1
121.02908	0.7
121.06532	5.8
121.10141	16.1
123.04418	2.0
123.08076	9.2
123.11680	3.1
125.06014	1.2
125.09625	22.2
127.03902	5.1
127.07555	1.3
127.11164	2.2
129.05487	38.1
129.06975	17.6
130.07787	0.8
131.04892	1.2
131.08560	21.0
133.06485	5.8
133.10124	21.4
135.08063	5.0
135.11678	6.3
136.08817	1.2
137.05965	1.1
137.09610	4.6
139.07527	1.2
141.06963	0.8
142.07808	3.9
143.07043	8.9
143.10677	1.8
145.04964	4.0
145.10106	7.2
147.04410	1.2
147.08044	5.9
147.11694	22.2
147.12866	1.1
148.12042	1.1
149.06099	1.4
149.09630	12.7
151.03943	1.0
151.07600	1.0
151.11179	1.4
153.01793	1.0
153.09114	2.3
153.12750	4.2
155.08588	1.6
155.10674	1.7
155.61079	0.8
157.08606	16.8
157.10118	23.5
158.05731	2.2
158.10475	1.0
159.11650	0.9
161.05949	1.2
163.06056	4.0
163.07314	0.8
163.11179	10.6
164.11980	1.4
165.12727	5.7
167.07082	1.6
171.06493	3.7
171.10158	4.8
173.09605	2.4
173.11746	4.8
173.13086	0.8
175.11179	24.5
175.12656	1.5
176.11542	1.0
181.12259	6.1
185.08087	1.7
185.11703	2.2
189.11205	9.3
191.10635	5.1
193.12241	84.1
194.12605	3.7
199.09613	1.9
199.13297	19.0
200.13928	3.0
201.14836	1.9
209.11722	13.3
210.12413	1.9
211.13287	98.0
212.13614	4.0
213.11150	0.9
219.13947	1.2
223.13417	1.4
227.12779	18.6
228.13152	1.3
229.14243	4.4
247.13203	4.6
249.14839	1.6
255.15901	4.0
265.14343	1.1
267.15903	32.0
267.18756	1.7
268.16104	1.5
269.17365	1.2
283.15421	14.7
284.15982	2.3
285.16968	67.6
286.17322	3.7
298.17648	1.2
301.16452	74.5
302.16803	3.4
311.18527	0.9
311.22040	1.5
321.16965	1.6
339.17953	2.6
367.21283	1.4
409.25928	5.5
421.25845	1.5
427.26907	5.9
439.26871	20.8
440.27164	1.5
459.27292	5.2
475.26843	4.6
476.27829	4.3
477.28363	5.3
493.27979	19.8
494.28506	8.3
495.29010	1.0
511.29016	72.7
512.29352	7.1
559.74744	1.1
655.32855	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.4688
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	2.0
62.94616	0.5
65.03953	1.2
67.05503	27.8
68.05859	0.5
69.03435	1.6
69.07068	8.1
71.01337	0.5
71.05003	2.6
73.02918	0.9
79.05492	17.7
81.03414	41.6
81.07055	32.7
82.03773	0.5
82.07380	0.7
83.04983	4.9
83.08621	13.7
85.02895	3.2
85.06535	2.1
91.03952	1.3
91.05474	15.3
93.07041	24.1
94.07403	0.7
95.04966	14.6
95.08596	9.3
96.05291	0.4
97.02879	2.2
97.06525	5.9
97.10174	2.3
99.08099	1.3
105.07023	9.1
107.04956	3.4
107.08588	12.8
108.08913	0.5
109.02875	1.0
109.06519	3.1
109.10180	3.2
111.04414	1.1
111.08074	5.8
113.06014	0.6
115.05470	1.2
117.07018	4.1
119.08583	7.4
121.06506	2.6
121.10143	9.3
123.04419	0.5
123.08101	1.2
123.11733	1.1
125.06009	0.6
125.09659	1.6
127.03944	1.1
129.07008	4.7
131.08551	8.5
133.06496	1.8
133.10121	5.9
135.08054	1.5
135.11699	3.7
137.05988	1.6
137.09627	1.3
139.11169	0.9
142.07742	1.1
145.06511	1.0
145.10112	1.3
147.04439	0.7
147.07997	2.1
147.11671	4.5
149.09601	2.5
149.13249	11.4
151.03929	0.6
151.07512	0.6
151.11189	0.6
154.50447	0.5
157.10130	6.3
159.08038	0.5
159.11691	4.8
161.05960	0.8
163.03979	0.5
163.11180	0.6
165.09145	0.9
165.12750	1.0
166.96509	0.5
169.09898	0.5
175.11169	4.6
177.12779	2.7
193.12254	11.0
195.13751	3.5
205.08626	0.5
205.12213	0.5
211.13277	1.1
213.14807	0.5
235.13275	0.8
238.86063	0.5
249.14859	0.9
267.15903	43.8
268.16287	1.9
269.17465	36.2
270.17880	1.8
273.14789	0.7
301.14255	0.7
309.16916	0.8
369.24109	1.2
376.06049	0.5
387.25217	0.8
412.70364	0.5
417.26221	1.1
435.27356	4.0
443.27646	2.2
453.28333	0.5
461.28952	100.0
462.29343	10.8
479.30304	2.6
503.30157	2.4
511.32217	0.8
557.31110	0.7
569.31305	0.9
587.32178	1.2
605.32898	0.8
640.77747	0.5
870.43677	0.6
871.43152	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.5202
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	1.3
61.37439	0.7
65.03950	4.3
67.05504	61.2
68.05849	1.1
69.03426	9.4
69.07066	50.9
69.57267	4.9
71.04458	0.9
71.04990	3.6
73.02941	1.0
74.63081	0.7
77.03936	1.2
79.05492	46.7
81.03421	12.2
81.07056	39.0
82.07379	1.0
83.04977	7.6
83.08621	13.9
85.02917	3.0
85.06551	2.8
86.42006	0.8
87.04460	1.0
91.05479	39.6
92.05817	1.9
93.07041	37.5
94.04197	1.5
95.01339	1.4
95.04964	13.0
95.08604	32.8
96.08940	0.9
97.02896	10.9
97.06533	14.2
97.10160	14.3
97.10737	1.1
98.22635	1.6
99.08099	1.5
103.05476	2.2
105.04519	1.2
105.07029	29.3
107.04962	14.6
107.08588	21.4
109.02876	1.8
109.06515	5.0
109.10150	24.0
111.04447	2.3
111.08093	5.6
112.16348	0.7
115.05466	2.3
117.07022	13.5
119.08578	26.1
121.06521	4.6
121.10147	10.4
123.04436	1.4
123.08074	4.7
123.11713	1.2
125.09636	10.6
127.03921	1.0
128.06233	1.8
129.05504	1.3
129.07001	7.1
130.07790	2.0
131.04895	1.2
131.08580	15.6
133.06499	4.2
133.10130	14.2
133.11031	1.4
134.07275	1.4
135.08005	5.7
135.11697	6.8
137.05991	1.2
137.09602	13.4
141.06940	1.5
143.08585	5.3
145.06467	2.0
145.10104	12.0
147.08044	6.7
147.11690	8.3
149.09627	12.6
149.13228	3.8
151.11185	2.2
153.09154	1.4
155.08566	1.9
157.08894	1.0
157.10126	5.2
159.08012	1.8
159.11690	7.5
161.09607	4.3
161.13263	4.0
163.11186	9.5
165.09117	3.7
169.10028	2.1
170.10818	1.0
171.10324	1.7
171.11743	3.4
173.09610	1.1
173.11760	4.5
173.13278	3.7
175.11182	3.2
175.14827	1.3
177.12762	3.7
179.10599	1.2
179.14314	3.2
181.12183	0.8
183.11626	2.0
185.13292	1.9
187.11235	1.3
187.14746	1.3
189.11246	5.2
189.12756	1.9
193.12204	1.7
195.13808	2.3
199.14854	1.1
205.12248	3.3
213.16368	1.4
217.15746	0.9
221.11760	1.0
223.13297	20.3
226.00693	0.8
227.12744	6.1
227.17975	0.9
229.14293	5.6
229.19624	1.4
233.18994	0.9
237.16472	1.4
239.17888	1.3
245.18944	1.9
247.20570	2.4
249.14870	3.5
253.14349	1.0
253.18037	1.4
257.19003	5.4
258.19464	0.9
263.19931	0.8
267.15964	0.9
273.18488	15.3
275.20059	18.3
275.22931	1.4
291.19534	100.0
292.19977	5.7
293.21088	1.7
321.24014	0.9
347.21976	1.9
349.23730	21.6
350.24036	2.2
365.23199	24.6
366.23639	2.4
461.28915	2.9
465.59885	1.0
519.33252	6.8
543.36725	4.7
559.36121	1.8
587.35596	1.3
611.41913	1.1
639.32471	1.8
639.42480	22.1
640.42743	3.2
655.42120	1.0
870.42902	5.8
870.58276	1.1
871.43945	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	871.5018
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	4.9
65.03933	0.4
66.58886	0.4
67.05501	3.9
69.03432	3.3
69.07056	2.1
69.47043	2.0
70.57340	0.4
71.01372	0.6
71.04994	0.6
71.08636	1.9
73.02921	4.5
79.05491	3.0
81.03432	2.0
81.07055	4.2
82.47703	0.5
83.04994	0.7
83.08626	1.7
85.02908	5.4
85.10196	1.0
91.03953	4.2
91.05508	1.5
93.07038	3.4
95.05003	0.5
95.08575	2.7
95.11698	0.4
97.02888	6.4
97.06525	0.7
97.10197	0.6
99.04466	1.2
101.02370	1.8
105.07036	1.2
107.08627	1.5
109.02917	0.6
109.10170	1.2
111.08154	0.5
117.07016	1.1
121.10198	1.6
123.11806	0.9
127.03951	1.7
131.08655	0.6
133.10190	0.9
135.11685	0.7
137.09676	0.7
139.11215	0.5
145.05011	0.6
149.13332	1.6
159.11768	0.6
172.29121	0.5
185.04237	0.9
203.05409	0.8
227.43620	0.6
235.13225	0.6
243.08406	2.1
260.89841	0.4
268.71371	0.5
291.15695	0.8
313.27518	1.0
335.25885	0.5
347.09695	2.0
365.10614	1.0
393.20181	0.5
405.13538	5.0
441.17691	0.5
453.20966	8.8
454.21149	0.8
497.30722	4.3
498.31540	0.9
615.26221	8.1
616.27167	1.0
659.36255	4.1
660.36743	0.6
709.44812	2.4
738.04266	0.5
871.50183	100.0
872.50439	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	872.5362
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	4.7
61.33300	1.4
65.03927	6.1
67.05503	100.0
68.05824	1.7
69.03426	12.2
69.07065	56.8
70.31990	1.5
71.01352	2.3
71.04980	7.1
71.32333	3.0
71.32708	1.6
71.87153	1.6
73.02905	2.5
75.42990	1.5
79.05491	74.1
80.05816	1.6
81.03419	17.2
81.07056	92.3
82.07378	2.0
83.04979	14.7
83.08614	20.1
85.02908	9.4
85.06535	5.4
91.05479	71.2
92.07621	1.5
93.07043	73.5
94.51801	1.8
95.04970	20.3
95.08604	52.0
97.02880	9.3
97.06528	25.4
97.10178	13.3
98.06874	1.9
99.04466	2.9
99.08072	4.1
103.05453	3.8
105.04515	2.5
105.07027	58.5
106.07384	1.8
107.04953	16.4
107.08591	35.6
108.08932	2.0
109.02888	3.7
109.06533	12.1
109.10150	31.6
111.04451	2.2
111.08086	8.7
115.05460	3.1
117.07018	20.8
119.08582	36.9
121.06485	6.1
121.10139	25.4
123.08079	8.5
123.11701	7.2
125.09610	8.9
127.03926	4.6
128.06281	2.8
129.05484	3.8
129.06975	11.4
131.08571	25.7
133.06508	1.9
133.10124	31.5
135.08040	8.7
135.11691	20.9
137.05980	1.9
137.09621	15.7
139.11258	2.6
141.06973	2.3
142.07805	3.1
143.08548	6.6
145.06503	2.4
145.10107	23.6
147.08023	4.2
147.11694	16.5
149.09618	22.2
149.13269	10.4
151.11105	4.9
153.12573	1.9
155.08531	6.2
157.10147	8.4
159.11693	18.8
161.09601	4.3
161.13312	8.9
163.11183	15.4
163.14775	2.3
165.12738	3.8
169.10092	3.5
171.10303	2.1
171.11671	5.0
173.11716	9.1
173.13269	7.9
175.11211	3.6
175.14839	2.3
177.12733	7.1
179.14285	5.2
181.12173	2.9
183.11650	7.0
185.13286	4.3
187.11139	2.8
187.13237	1.6
189.11165	3.8
189.12755	3.5
195.13785	6.4
197.13292	4.1
205.12253	2.2
223.13217	3.2
227.12714	7.6
229.14240	9.9
229.19461	3.2
239.17862	3.7
243.15910	3.1
247.20517	3.4
248.69669	1.6
253.14426	2.1
253.17973	3.4
255.15794	9.3
257.18909	9.7
267.15994	4.5
269.17490	19.4
273.18475	4.1
275.20056	39.2
276.20349	2.3
291.19568	6.8
293.17905	1.8
293.21021	3.4
329.21466	1.8
349.23727	34.9
350.23801	2.2
365.23306	3.7
367.24377	4.0
389.09509	1.5
409.25699	3.2
423.27393	6.2
433.29990	1.6
447.30768	2.1
479.82135	1.6
529.35120	5.5
543.36786	16.0
544.36871	3.3
549.26611	1.8
570.30798	1.6
623.43390	3.6
827.40570	3.9
873.46021	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	877.4914
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	7.5
67.05507	10.0
69.03430	6.7
69.07064	4.3
71.01322	0.8
72.37117	0.9
73.02926	6.0
79.05492	8.8
81.03419	3.4
81.07053	8.6
83.08643	1.6
85.02896	6.8
85.50575	0.9
91.03965	5.1
91.05466	5.6
93.07040	6.6
95.04966	2.4
95.08620	5.5
97.02893	8.2
97.06533	1.4
97.10190	1.8
99.04478	1.7
101.02391	2.6
105.07054	3.9
107.04945	1.1
107.08617	3.6
109.02886	1.5
109.06606	1.0
109.10181	2.5
117.05546	0.9
117.07033	1.9
119.08609	2.9
121.10159	3.4
127.03930	3.0
131.08582	2.3
133.10115	2.2
135.11725	2.7
137.05997	0.9
138.38704	1.0
145.10136	1.0
149.09647	1.1
159.11720	1.7
163.11234	1.3
181.04984	1.5
185.04208	4.0
203.05307	1.7
205.77782	0.9
223.13275	2.0
235.13272	1.2
243.08374	7.0
263.12610	2.0
275.19952	0.9
297.16879	1.1
301.08945	14.3
301.12268	1.0
315.10724	2.7
333.20346	4.9
341.12085	2.1
355.13873	1.2
357.15289	1.5
359.21924	1.7
369.15250	2.1
371.17105	1.2
373.11026	4.6
373.23624	2.1
385.18317	8.4
387.12723	2.2
389.22864	1.7
413.18018	3.4
415.15601	1.0
429.17548	3.7
431.24268	3.3
439.19229	5.4
453.21124	3.1
469.20898	2.8
477.24969	4.7
481.20651	9.7
482.21280	1.0
499.21796	2.7
515.33459	1.5
527.30920	1.1
539.24103	1.0
541.22559	21.0
542.22858	1.3
549.27112	1.1
551.28351	17.4
552.28302	1.6
561.34247	1.9
567.27753	2.3
583.30823	1.6
610.30200	1.4
623.30371	6.8
625.31787	8.6
637.32275	1.3
651.33795	3.9
693.37671	3.9
711.39349	2.6
723.39642	5.7
749.40826	15.7
750.40546	1.9
791.41864	63.7
792.42297	8.8
859.47900	5.6
860.47906	1.5
877.49011	100.0
878.49219	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	880.5256
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	7.5
63.90636	0.5
65.03907	0.7
67.05507	16.2
69.02052	5.3
69.03413	2.6
69.07069	7.9
71.04958	1.9
71.08631	20.3
73.02910	2.9
79.05059	0.9
79.05492	15.3
81.03410	4.0
81.07059	22.6
83.01338	3.0
83.04977	4.1
83.08626	11.8
85.02904	8.4
85.06509	0.8
85.10184	11.6
89.06004	1.0
91.03949	4.9
91.04948	0.5
91.05471	6.5
93.07045	22.7
95.04985	4.7
95.08607	34.7
96.04452	0.7
97.02897	6.3
97.06508	2.4
97.10165	3.7
99.04472	2.8
99.08064	0.9
99.11700	1.2
103.07576	1.1
105.04554	0.6
105.07034	4.8
107.04354	0.6
107.04957	6.2
107.08591	17.0
109.02827	0.8
109.06528	3.1
109.10160	7.8
110.10492	0.6
111.04417	1.5
111.08077	1.3
111.11694	1.1
117.07011	6.6
117.53336	0.6
119.08586	7.0
121.06513	3.8
121.10146	8.7
123.08028	2.5
123.11715	3.4
125.05971	2.5
125.13190	0.6
127.03935	1.2
128.06091	0.7
130.07767	1.1
131.08542	1.1
133.10085	2.1
135.08022	1.5
135.11691	32.1
135.73792	0.5
136.11920	0.8
136.31856	0.5
137.13228	1.4
139.07524	0.9
139.11130	0.7
140.89633	0.6
143.08533	1.0
145.04926	1.7
145.10127	21.0
147.08116	0.7
153.12700	1.5
155.08478	0.7
163.05986	1.9
163.11180	46.8
164.11469	2.5
173.09634	1.3
181.12245	8.7
187.16801	0.6
191.10672	1.3
209.11671	2.2
227.12776	44.4
228.13112	2.0
239.23669	1.7
257.24701	2.5
283.15399	96.1
284.15762	4.8
313.27362	100.0
314.27640	5.3
521.38385	99.8
522.38727	11.0
540.69684	0.6
599.95813	0.6
712.68872	0.6
880.57861	0.8
881.48730	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5256
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	8.5
65.03905	0.5
67.05502	10.8
69.03420	2.2
69.07063	5.7
71.01319	0.7
71.04982	1.7
71.08628	14.6
72.08956	0.2
73.02910	2.7
73.06531	0.3
79.05488	10.4
80.05805	0.2
81.03416	7.2
81.07052	15.9
82.07372	0.4
83.00893	0.3
83.01338	5.4
83.04977	6.2
83.08617	11.6
84.81121	0.2
85.02901	12.8
85.06503	0.9
85.10178	9.7
86.03205	0.2
87.04440	0.4
89.06018	1.1
91.03951	7.4
91.05473	6.5
92.05680	0.2
93.07037	13.8
95.04436	0.3
95.04964	3.8
95.08601	15.7
95.58681	0.2
96.04452	0.4
96.08929	0.5
97.02884	6.6
97.06529	2.7
97.09603	0.3
97.10159	3.8
98.22522	0.4
99.03928	0.3
99.04454	2.6
99.08075	0.4
99.11674	0.5
101.02335	0.2
103.05466	0.2
103.07544	0.8
105.04475	0.4
105.06379	0.3
105.07027	5.1
107.04951	5.2
107.08582	7.9
108.08914	0.3
109.02837	0.9
109.05775	0.2
109.06510	4.2
109.09445	0.3
109.10149	6.2
110.10450	0.2
111.04436	1.4
111.08075	1.1
111.11697	1.1
112.04740	0.2
113.05994	0.2
115.03863	0.5
115.05372	0.3
116.06271	0.2
117.07011	4.2
117.09099	0.4
119.07766	0.4
119.08574	5.0
121.05885	0.2
121.06499	2.0
121.09286	0.3
121.10135	5.4
123.04395	0.4
123.08060	5.7
123.11693	2.1
125.05956	0.9
125.09611	1.1
127.03911	3.1
129.05467	0.4
129.07011	1.0
130.07733	0.7
131.04857	0.3
131.08569	2.1
131.10629	0.2
133.10136	1.2
135.08058	1.5
135.11684	7.9
136.11986	0.3
137.09587	1.0
137.13211	0.8
138.67151	0.2
139.07487	0.6
139.11121	0.3
143.08549	0.5
144.06535	0.3
145.04956	3.5
145.06474	0.6
145.10114	10.2
147.08064	1.0
149.05959	0.3
149.09538	0.4
149.13168	0.2
151.14754	0.3
153.12752	1.7
155.08524	0.8
163.06020	3.2
163.11174	17.5
164.11536	0.6
165.09053	0.3
173.09604	2.4
180.08693	0.3
181.12227	2.0
191.10667	1.8
202.84540	0.2
209.11699	4.1
209.13516	0.3
227.12758	3.3
239.23625	1.5
257.24765	1.8
265.14359	0.3
283.15375	100.0
284.15671	5.0
313.27328	74.2
314.27710	4.2
314.31085	0.4
328.35767	0.2
427.19797	0.2
465.43536	0.2
521.38342	50.2
522.38672	5.7
664.32446	0.2
692.41266	0.3
698.26514	0.3
709.87915	0.2
880.47913	0.4
880.60645	0.3
881.48877	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
69.14478	7.2
82.28815	0.7
86.03652	0.7
89.72023	0.7
98.23318	1.9
137.06050	2.2
151.03960	0.8
167.07140	1.3
189.05215	12.9
201.05388	1.4
202.04440	0.7
202.05945	3.8
203.06822	2.1
205.04813	3.3
215.06764	4.5
216.07574	10.3
217.04646	1.4
217.08308	0.9
219.06328	3.6
223.69464	0.8
229.08524	2.2
231.06326	1.1
232.07074	11.0
233.07864	9.5
234.08617	11.7
235.09190	0.9
245.07851	1.2
247.09506	3.3
297.40747	0.7
412.15204	1.6
413.15811	1.2
425.16168	1.0
426.16547	1.6
427.17383	1.6
429.15213	6.6
443.16736	27.4
443.22589	1.4
444.17471	2.9
457.18121	8.5
459.16479	2.4
509.81235	0.8
511.09393	0.8
631.13751	0.8
639.24005	1.9
653.25739	3.9
654.26324	1.9
669.24231	1.9
851.34222	1.2
881.35522	100.0
882.35760	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	882.5415
Annotation	Unknow
Peak:m/z	Relative Intensity
63.12059	0.5
65.03908	1.4
67.05504	18.8
68.24429	0.5
69.03426	3.9
69.06728	0.6
69.07063	8.4
69.40897	0.4
69.77966	2.0
71.04959	2.3
71.08633	21.6
73.02899	2.8
75.95485	0.5
77.10042	0.4
78.78130	0.5
79.05495	13.6
81.03418	34.7
81.07059	23.1
81.07504	0.7
82.03734	1.1
82.07355	0.9
82.36304	0.6
83.04556	0.5
83.04980	8.0
83.08617	19.0
85.02905	21.2
85.06506	1.6
85.10179	10.6
86.03220	0.5
87.04436	0.8
89.05977	1.6
90.21651	0.5
91.03472	0.5
91.03958	5.3
91.05476	16.2
92.05768	0.6
93.07042	9.8
95.04966	14.7
95.08607	18.5
96.08923	0.6
97.02346	0.7
97.02892	7.0
97.06491	2.2
97.10168	4.8
99.04431	0.8
99.08035	0.7
99.11690	0.7
103.07539	0.6
105.07033	11.8
107.04953	3.7
107.08587	4.0
109.06512	2.3
109.10159	7.3
111.04418	1.3
111.08068	5.4
113.05950	1.3
115.05434	1.2
117.07006	0.7
119.08578	9.8
121.06477	1.1
121.10143	5.1
123.08065	1.0
123.11695	3.2
125.09624	1.1
127.03893	1.9
129.06142	0.5
129.07010	6.7
131.08549	5.2
133.06485	2.0
133.10133	6.7
137.09589	1.2
137.13208	1.1
142.07779	1.6
145.04938	1.8
145.10078	1.0
147.08005	1.1
147.11685	7.4
149.09634	3.1
157.10132	8.1
163.06006	2.9
165.12671	1.2
175.11182	8.6
193.12225	22.1
194.12547	1.3
211.13287	30.6
212.13644	0.9
227.59366	0.5
234.72322	0.6
239.23750	1.4
257.24731	1.7
267.15897	13.5
268.16141	0.7
285.16956	36.7
286.17130	1.3
313.27359	76.9
314.27661	5.7
505.38785	17.7
506.39322	1.7
523.39929	100.0
524.40283	13.3
544.34167	0.5
597.89838	0.5
667.44739	0.7
697.81665	0.7
811.93243	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5414
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	0.8
67.05164	0.9
67.05508	13.4
69.03427	2.1
69.07067	7.3
71.05001	2.9
71.08633	15.6
72.92945	0.5
73.02920	1.7
79.05496	8.5
81.03419	27.4
81.07060	18.5
82.07383	0.6
83.04981	6.0
83.08126	0.9
83.08620	16.8
85.02905	15.3
85.06544	0.8
85.10183	10.1
85.66612	0.5
87.04446	0.8
88.12373	0.5
89.06042	1.0
91.03949	3.0
91.05483	10.5
92.05854	0.5
93.07048	7.3
95.04967	11.4
95.05535	0.9
95.08604	17.6
96.76006	0.5
97.02895	5.4
97.06529	1.6
97.10155	4.4
99.04467	0.9
99.08121	0.8
99.11710	0.8
105.07027	7.0
107.04958	2.9
107.08593	3.3
109.02829	0.6
109.06519	2.0
109.10143	6.4
111.04491	0.6
111.08074	4.2
111.11727	0.5
113.06024	1.5
115.05471	0.8
117.07141	0.5
119.08598	7.0
120.08926	0.6
121.06451	0.5
121.10132	4.1
122.10425	0.7
123.08072	0.7
123.11706	2.8
124.12080	0.6
125.09675	0.7
127.03916	1.1
129.07002	3.9
131.08574	3.7
133.10141	4.0
135.11697	1.9
136.12029	0.6
137.09666	1.1
137.13255	0.8
145.04967	1.4
145.10153	1.4
147.08052	1.3
147.11688	7.1
149.09625	2.6
157.10149	5.1
159.64345	0.5
163.06065	0.9
163.11241	1.2
165.12854	1.3
175.11172	6.9
184.07414	0.7
193.12239	20.1
193.13982	1.1
194.12555	1.1
201.23819	0.7
211.13295	23.2
212.13506	1.0
239.23639	1.1
257.24860	1.3
267.15933	12.4
268.16339	0.8
283.15466	1.4
284.15631	0.7
285.16980	26.1
286.17361	1.8
313.27371	57.4
314.27698	5.5
315.28082	0.9
336.02640	0.5
361.68124	0.6
394.60400	0.5
429.21365	0.8
505.38837	11.1
506.39410	1.8
521.38251	0.8
522.39093	1.1
523.39935	100.0
524.40277	11.6
667.44135	1.5
684.36780	0.6
723.22668	0.6
753.11780	0.6
882.48224	7.6
883.48193	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5413
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03908	0.9
67.05501	19.3
69.03422	4.4
69.07063	8.8
71.04990	2.4
71.08630	17.3
71.31405	0.5
73.02904	3.0
79.05487	15.2
80.05840	0.5
81.03413	41.3
81.07053	23.8
81.07517	0.2
82.03710	0.7
83.04978	9.4
83.08615	20.6
84.08884	0.4
85.02898	24.2
85.06541	2.0
85.10180	10.2
86.03222	0.5
87.04446	0.5
89.06021	0.7
91.03949	5.8
91.05473	19.9
93.07037	9.7
95.04345	0.6
95.04961	15.2
95.08598	18.6
96.04468	0.6
96.08938	0.5
97.02887	7.7
97.06513	2.7
97.10154	5.2
99.04412	0.8
99.08073	0.7
99.11710	0.6
103.07550	1.2
105.07023	12.7
107.04950	5.1
107.08588	4.4
109.05941	0.3
109.06523	3.0
109.10156	6.6
111.04401	1.5
111.08080	6.9
111.11693	0.6
112.08355	0.4
113.05988	1.7
115.03889	0.5
115.05423	0.8
117.06973	1.0
119.04892	0.4
119.07760	0.6
119.08577	10.8
121.06490	1.2
121.10144	6.2
123.08063	1.6
123.11690	3.4
123.65323	0.3
125.09588	0.8
127.03909	2.2
127.07487	0.4
129.06996	6.4
131.08551	6.8
133.06477	1.8
133.09187	0.5
133.10129	7.7
135.11678	0.7
137.09587	1.3
137.13226	1.1
139.11244	0.4
142.07735	2.0
145.04919	3.1
145.10086	1.1
147.08092	2.2
147.11676	9.8
149.09601	4.7
151.07576	0.3
151.11169	0.5
157.10109	8.9
158.10434	0.5
163.06041	2.9
163.11177	0.7
165.12794	1.6
166.44424	0.3
175.11172	9.6
176.11525	0.5
193.12230	29.6
194.12634	1.6
211.13278	47.6
212.13547	2.4
238.28058	0.4
239.23695	1.9
249.14746	0.8
257.24774	1.6
267.15891	17.5
268.16257	0.8
270.60559	0.4
285.16943	64.7
286.17361	3.1
289.76056	0.4
313.27344	69.9
314.27695	4.9
332.72726	0.3
367.18204	0.4
429.21161	0.5
453.89810	0.4
460.50955	0.4
505.38846	16.4
506.39120	1.8
523.39905	100.0
524.40247	11.0
753.43555	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	2.3
66.04222	0.7
67.01855	0.7
67.05482	1.2
68.99782	12.0
69.04412	5.6
69.04825	1.9
74.81674	0.6
79.05484	0.9
81.03403	4.4
83.04967	1.6
89.03915	1.4
91.05473	1.9
93.03401	1.3
95.04969	2.1
99.04414	1.5
103.05479	0.9
105.03381	2.2
107.04946	3.9
109.02869	6.3
111.00787	9.5
111.04434	5.2
111.71480	0.6
115.05447	1.4
117.03371	1.5
117.06964	0.8
118.30093	0.8
119.04923	2.5
121.02857	1.9
123.04417	43.1
127.03902	100.0
128.04253	2.3
129.07007	1.1
131.04913	2.9
133.02823	2.1
133.06461	1.0
135.04405	35.4
135.05432	1.8
136.04745	1.0
137.02356	3.8
137.03206	0.7
139.03888	73.0
140.04185	1.9
143.04933	0.9
145.02850	1.4
145.06439	1.0
147.01067	0.8
147.04402	9.3
149.02313	6.2
149.05983	1.4
151.03891	27.4
152.04216	1.1
153.01765	1.3
153.05479	1.9
153.06929	0.8
155.03365	4.4
155.04863	2.7
157.06508	1.1
159.04434	3.6
161.02321	1.3
161.05997	3.6
163.03891	36.6
165.05463	4.9
166.07965	0.7
167.03375	4.2
169.04947	3.0
169.06314	1.3
171.04448	1.1
173.05965	6.1
174.06361	0.8
175.03854	8.7
177.01872	1.5
177.05424	6.8
179.03377	31.9
180.03833	1.1
183.04395	3.0
185.05972	2.6
187.03787	5.6
189.01694	0.9
189.05478	4.1
191.03360	10.6
193.04916	3.2
197.05934	4.3
199.03966	2.0
201.05461	10.7
203.03392	18.8
203.06949	1.3
204.03728	1.1
205.04991	2.2
211.03893	1.9
213.05434	5.1
215.03366	3.1
215.06978	1.8
217.04944	4.0
219.02846	1.0
219.06502	2.3
223.02344	2.6
225.05455	2.9
227.03357	1.5
229.04922	13.9
230.05518	1.1
231.02904	1.4
231.06505	3.8
233.04376	4.8
234.04694	0.8
241.04887	3.8
243.06540	3.1
245.04425	44.4
246.04803	2.8
247.05992	79.1
248.06326	4.3
253.04977	1.9
255.06555	1.7
257.04422	20.5
258.05005	1.8
259.05978	3.1
261.07632	1.7
263.05453	13.7
264.05829	0.9
269.04465	6.4
271.05975	18.3
272.06287	1.7
273.03842	0.9
275.05450	23.0
276.05679	1.0
277.07208	1.1
281.04346	3.5
283.05981	3.2
287.05453	43.8
288.05884	2.1
289.07028	12.0
291.08612	19.2
292.09171	0.8
295.05927	2.5
297.03799	3.3
297.07129	1.2
299.05423	16.0
300.05966	1.3
301.06998	2.9
303.08636	1.8
305.06503	13.3
307.05981	1.3
309.03967	2.3
311.05502	3.3
317.06509	20.5
321.03995	1.7
321.07593	1.3
323.05484	1.9
327.04892	1.3
329.06577	2.0
335.05704	0.8
338.43332	0.8
339.04980	1.3
347.08075	0.9
349.07071	1.2
350.58133	0.7
351.04910	3.8
361.06741	0.9
363.04611	0.9
365.06256	1.4
367.07462	0.8
376.05869	0.8
377.06534	1.4
379.07983	1.8
381.06003	2.2
389.06638	1.3
391.07886	1.5
393.05853	6.4
395.07510	2.1
397.09177	4.9
399.07013	4.1
401.06638	0.9
405.05988	4.9
407.07486	4.8
409.09058	9.6
411.07086	2.2
415.09888	1.0
417.05557	1.0
419.07562	3.4
421.09052	1.2
423.07047	11.1
424.07303	1.0
425.08597	16.2
426.08804	0.9
427.10120	5.9
431.07553	0.9
435.07037	2.0
437.08716	2.6
441.08142	5.4
443.09750	12.9
449.08469	2.5
451.10098	3.2
453.08112	2.3
455.09708	0.9
469.11154	1.9
527.09863	3.8
533.10895	5.6
545.10754	5.4
551.11804	1.7
557.10425	1.9
559.11584	1.0
561.10046	3.3
571.12280	1.1
595.14111	2.6
697.14075	1.2
713.14276	0.9
731.15894	1.7
732.68323	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	2.9
67.05504	1.6
68.99783	8.9
70.32306	1.5
77.03933	1.1
79.05495	0.8
81.03418	5.9
83.04975	1.5
83.65469	0.6
85.02889	1.2
89.03901	1.8
91.05500	0.8
93.03400	1.7
95.04969	2.4
98.23280	0.8
99.04462	1.5
103.05470	1.3
105.03376	1.5
107.04946	5.4
109.02884	6.8
110.37796	0.6
111.00794	8.9
111.04430	7.1
115.05459	1.0
117.03362	2.0
118.18645	0.7
119.04943	1.6
121.02856	2.8
123.04420	48.5
124.04790	1.4
127.03905	100.0
128.04263	2.4
131.04921	3.4
133.02831	2.1
135.04405	53.8
136.04741	1.7
137.02335	4.9
139.03888	74.6
140.04231	1.9
141.06940	1.0
143.04848	1.1
145.02832	1.4
145.06468	1.8
147.04413	6.3
149.02338	6.0
149.05943	2.0
151.03891	23.3
153.01813	2.3
153.05391	0.8
155.03391	4.1
155.04832	1.4
157.06444	1.3
159.04413	5.0
161.02284	1.5
161.05983	4.5
163.03891	56.8
164.04253	1.2
165.01784	0.9
165.05434	3.8
167.03366	5.3
167.04668	0.8
169.04918	2.6
169.06490	2.4
171.04416	0.8
173.05981	4.8
175.03880	6.9
175.07481	0.8
177.05463	7.7
179.03386	15.9
181.05038	3.0
181.06427	1.2
183.04372	2.0
185.05948	2.3
187.03842	8.4
189.05438	2.8
191.03375	10.9
191.07014	0.9
193.04919	2.0
197.05962	4.5
199.03841	1.2
199.07527	1.0
201.05453	10.6
202.05899	0.9
203.03366	14.1
203.07040	1.9
204.03918	0.6
205.04991	4.6
207.02962	1.0
211.03862	1.1
213.05365	4.3
215.03471	2.9
215.07072	3.0
217.04951	3.2
219.06516	0.7
223.02341	1.9
225.05470	2.6
229.04935	12.6
230.05298	0.8
231.02802	0.8
231.06561	2.4
233.04425	5.2
237.05524	1.3
241.04953	3.8
243.06490	5.2
245.04437	68.7
246.04727	3.2
247.05998	51.6
248.06332	1.7
251.05301	0.8
253.05034	2.2
255.06496	3.3
257.04425	16.8
258.05103	1.8
259.06027	10.7
259.08542	1.2
261.07587	1.8
263.05408	5.5
265.04868	1.0
267.06482	0.9
269.04425	4.5
270.05270	0.8
271.05984	27.0
272.06323	1.0
273.07611	2.0
274.04703	2.7
275.05466	19.3
277.07196	1.3
281.04358	2.2
283.06006	13.2
284.06360	1.1
285.03970	2.2
286.04599	0.7
287.05463	27.8
288.05951	1.3
289.07028	26.2
290.07242	1.0
291.08633	4.7
295.06116	2.5
297.03934	2.2
297.07278	0.9
299.05466	8.2
301.07068	12.1
302.07547	0.7
303.05081	0.9
305.06598	4.2
307.08179	9.9
309.03894	1.8
311.05560	2.2
313.07156	2.3
317.06683	1.0
321.03912	0.8
321.07635	1.1
323.05423	2.7
331.08017	0.6
349.07074	1.3
351.04926	2.5
361.07086	2.2
363.08896	0.9
365.06500	1.9
377.06564	1.0
379.08163	3.3
383.07532	2.4
389.06464	1.8
391.08115	1.7
393.05878	4.4
395.07584	1.7
397.09079	5.0
401.06546	0.9
405.05890	3.4
406.06241	0.8
407.07559	20.2
408.07892	2.3
409.09192	20.0
410.09726	1.3
413.08563	0.7
417.06149	0.9
419.07666	3.8
421.09222	2.0
423.07101	0.8
425.08682	13.1
426.08688	1.5
427.10223	12.1
428.10257	1.1
433.09076	2.2
437.08597	6.9
438.09036	1.1
443.09680	6.0
449.08423	2.3
451.10181	3.2
467.09634	0.8
469.11237	1.1
517.11102	2.2
527.09467	2.9
535.12238	1.3
545.10175	3.0
557.11230	1.0
561.10333	2.4
577.13116	1.2
579.15045	0.8
585.54779	0.7
713.14380	2.8
731.15521	1.2
889.00879	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	1.5
66.66263	0.5
67.05495	0.7
68.21862	0.5
68.99782	10.6
70.91563	1.0
77.03918	0.6
79.05491	0.8
81.03419	3.7
83.04979	1.1
85.02888	1.5
89.03902	1.9
91.05493	0.8
93.03387	0.9
95.04967	2.3
97.02902	1.0
99.04470	0.9
105.03400	1.2
107.04958	4.6
108.05243	0.6
109.02866	3.4
109.68428	0.6
110.71738	0.6
111.00797	10.6
111.04441	4.2
113.25015	0.5
113.76970	0.5
115.05470	1.0
117.03338	1.6
119.04939	2.2
121.02857	2.5
123.04420	40.3
124.04773	0.8
127.03904	77.7
128.04256	1.5
128.06174	0.8
131.04913	2.5
133.02859	1.4
135.04404	44.7
136.04773	1.8
137.02359	3.5
137.03285	0.8
137.05920	0.6
139.03886	56.5
139.62254	0.6
140.04233	1.3
141.06990	1.0
143.04922	0.6
145.02834	1.2
145.06477	1.0
147.04385	8.0
149.02330	6.5
149.05952	1.8
150.03067	0.9
151.03889	19.3
153.01781	1.1
153.05360	0.6
155.03366	1.9
155.04796	0.7
157.06450	1.0
159.04366	3.9
161.02351	1.6
161.05988	3.7
162.03195	0.5
163.03888	44.7
164.04376	1.5
165.01807	0.8
165.05453	4.4
167.03354	2.7
169.04973	2.4
169.06477	1.6
171.04427	2.1
173.02370	0.7
173.05933	3.5
175.03897	8.5
175.37453	0.7
177.05457	9.3
179.03386	18.2
180.03851	0.6
181.04959	2.3
181.06415	1.1
183.04495	0.8
185.05966	1.8
187.03857	5.3
187.07477	0.7
189.05475	3.2
191.03380	11.9
193.04953	2.4
197.05974	3.4
199.03931	1.7
201.05489	7.0
203.03383	17.1
203.07057	1.7
204.03755	0.9
205.04976	3.1
207.02840	0.7
213.05388	4.9
215.03453	3.8
215.06894	1.4
217.04901	4.5
219.06458	1.7
223.02419	3.0
225.05470	2.3
227.03183	0.6
227.07146	0.9
229.04947	10.5
231.02873	1.6
231.06506	2.2
233.04474	4.8
237.05460	1.4
241.04939	4.4
243.02882	1.5
243.06476	3.9
244.03705	0.8
245.04436	100.0
246.04790	5.3
247.05991	31.9
248.06384	1.5
253.04977	2.3
255.06415	3.1
257.04428	16.5
258.05099	2.6
259.02200	0.7
259.03271	0.8
259.06006	7.7
261.07605	1.8
263.05435	16.0
263.08072	1.0
265.05051	1.5
267.06500	1.1
269.04474	6.2
271.05933	15.7
272.06244	1.0
273.04068	1.0
273.07535	1.9
274.04630	4.4
275.05447	24.2
276.05756	1.6
279.06412	0.7
281.04407	1.8
283.06030	10.0
284.06580	0.6
285.03955	2.3
286.04608	1.6
287.05466	31.2
288.05807	1.7
289.07028	16.8
291.05850	0.6
291.08789	4.9
295.05972	1.8
297.03909	1.7
297.07324	0.8
299.05536	6.6
301.07010	9.2
303.05038	1.3
303.64636	0.6
305.06549	4.0
307.08377	3.1
309.03668	1.7
309.07050	0.8
311.05573	2.3
313.07104	2.7
320.06348	0.7
321.03815	0.7
323.05515	2.8
327.04941	0.8
329.06454	0.8
331.07983	1.6
333.07544	1.3
335.05505	1.4
337.06940	0.7
351.04947	1.9
361.07019	2.9
365.06552	1.7
377.06528	1.5
379.08139	4.4
383.07477	2.3
389.06500	2.9
391.07996	1.7
393.06003	3.5
394.98981	0.7
395.07437	1.9
397.09177	4.0
405.05917	1.9
407.07581	27.4
408.07822	2.6
409.09103	13.5
411.10870	1.4
413.08786	3.8
414.08850	0.9
417.05640	1.1
419.07568	5.4
423.07059	1.2
425.08682	10.2
426.08759	0.6
427.10165	6.6
431.07550	1.3
433.09201	1.0
435.06769	1.0
437.08704	7.3
439.10059	0.8
443.09488	2.2
449.08664	4.1
451.09848	3.0
467.10117	0.7
482.53680	0.7
527.09546	1.9
533.10815	1.0
541.10846	0.9
545.10486	2.6
557.10364	0.8
559.11835	0.9
561.10297	1.6
575.11786	0.8
577.13928	0.7
579.15015	0.9
587.11475	1.1
695.13361	1.2
702.68420	0.7
713.15161	1.3
731.15863	1.0
905.49390	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4816
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	1.7
67.77149	0.3
69.03429	4.0
69.07075	0.9
71.08624	1.5
73.02921	3.6
73.61602	0.3
79.05518	0.9
81.03410	1.7
81.07049	2.1
83.08637	1.2
85.02907	6.5
85.10190	1.1
87.04506	0.3
91.03966	3.8
91.05493	0.9
93.07060	1.3
95.05000	0.3
95.08602	2.7
95.09045	0.3
96.08939	0.3
97.02895	6.0
97.03489	0.4
97.06525	0.4
97.10196	0.4
99.04465	1.0
101.02360	1.6
103.04011	0.4
105.07075	0.7
107.08624	0.9
109.02938	0.5
109.06458	0.3
109.10184	0.7
115.03969	0.4
119.08632	0.4
121.10215	0.4
123.11716	0.5
124.08453	0.3
125.09614	0.3
127.03939	1.7
135.11757	1.0
145.05000	0.4
145.10170	0.5
163.11230	1.1
185.04259	0.7
214.52280	0.3
227.12863	0.9
239.23740	0.4
243.08406	1.9
249.11081	1.3
313.27609	1.3
314.27679	0.4
347.09457	1.5
348.92053	0.4
363.08936	0.5
365.10709	0.9
405.13641	4.6
467.18970	4.1
497.30899	3.5
498.31354	0.5
508.50607	0.3
525.40356	0.5
526.41595	0.5
530.86749	0.3
602.78107	0.3
629.23938	4.2
659.36139	6.3
660.36731	0.9
723.43396	1.8
759.48853	0.3
885.48108	100.0
886.48401	17.6
886.65912	0.7
888.17474	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4811
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	1.9
69.03427	4.8
69.07066	1.0
69.28280	1.2
71.01344	0.8
71.04996	0.8
71.08623	1.8
73.02914	4.9
75.61022	0.2
79.05488	1.4
81.03410	2.5
81.07053	2.3
81.07507	0.2
83.01345	0.6
83.04998	0.6
83.08620	1.2
85.02901	7.1
85.10191	0.8
87.04478	0.5
91.03957	4.5
91.04958	0.1
91.05468	1.0
93.07032	1.5
95.04992	0.5
95.08604	2.1
97.02886	6.2
97.06534	0.3
97.10149	0.5
99.04446	1.2
101.02367	2.3
101.02978	0.2
103.03940	0.3
105.07043	0.6
107.04971	0.5
107.08586	0.8
109.02881	1.1
109.06555	0.2
109.10145	1.0
111.04446	0.3
115.03941	0.6
117.07033	0.6
119.08590	0.6
121.06536	0.2
121.10162	0.6
123.08074	0.5
123.11757	0.4
125.05993	0.2
125.09637	0.2
127.03909	2.2
129.05510	0.2
133.10159	0.2
133.72229	0.2
135.11739	0.6
145.04994	0.5
145.10127	0.9
149.09532	0.2
163.11195	1.5
181.12296	0.2
185.04207	1.2
201.03809	0.2
203.05156	0.8
209.11760	0.4
227.00432	0.2
227.12817	0.3
230.48074	0.2
243.08403	2.7
249.11104	0.6
259.08005	0.2
283.15475	0.5
305.08701	0.2
305.13843	0.4
313.27264	0.9
319.05743	0.2
347.09448	2.4
363.09149	0.3
365.10562	1.0
405.13611	6.2
406.14041	0.3
410.62674	0.2
467.18863	7.6
468.19266	0.5
497.30859	4.4
498.31442	0.4
525.41376	0.2
629.24078	7.7
630.24530	1.0
659.36053	4.6
660.36322	0.4
666.46277	0.3
723.42651	2.0
885.48053	100.0
886.48364	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	886.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	2.4
67.05502	47.5
68.05782	0.9
69.03426	10.3
69.07053	11.1
69.61618	0.9
70.04209	1.4
70.58688	3.2
71.01350	3.0
71.04990	5.5
73.02913	10.9
77.15365	0.9
79.05491	40.8
80.06255	1.5
81.02969	1.6
81.03418	28.8
81.07054	29.5
82.03785	1.2
82.04185	7.5
83.01310	1.3
83.04977	22.2
83.08618	15.5
83.92743	1.1
84.02119	2.3
84.05742	1.8
85.02901	17.0
85.06538	1.7
91.03970	9.2
91.04473	1.4
91.05479	32.1
92.05762	1.1
93.07040	25.6
94.04189	2.3
94.07864	1.2
95.04970	26.9
95.08611	15.7
96.05766	2.0
97.02885	13.4
97.06525	10.7
97.10163	29.6
98.07326	9.0
99.04451	4.0
99.08096	2.1
101.06034	2.5
103.05462	1.5
105.07020	14.7
107.04960	10.2
107.08585	20.2
107.63283	1.0
109.02884	2.8
109.06535	4.4
109.10155	18.2
111.04437	4.6
111.08089	5.5
113.06055	1.8
115.03936	1.3
115.05451	1.7
116.04716	18.2
117.07018	7.6
119.08573	17.0
120.09366	1.5
121.06506	5.2
121.10143	8.3
123.04422	2.3
123.08075	9.0
125.09628	32.0
126.10470	1.4
127.03912	3.6
127.07525	1.3
127.11202	2.1
128.06285	1.3
129.05476	52.6
129.06927	8.4
130.07811	1.3
131.08554	8.6
133.06471	1.8
133.10136	10.0
135.08076	5.8
135.11671	9.8
136.08788	2.2
137.06010	1.9
137.09608	5.9
139.07552	1.7
142.07816	1.3
143.07028	11.2
143.10669	2.8
145.04950	3.3
145.10103	9.5
147.08054	4.3
147.11671	8.3
148.12627	1.2
149.05898	1.1
149.09619	5.2
151.11176	1.6
153.09090	4.6
153.12744	4.3
155.06998	1.3
155.08499	1.3
155.10612	1.6
157.08601	21.9
157.10095	4.8
158.05766	2.5
161.05966	1.7
163.05975	3.1
163.07358	1.2
163.11159	13.3
164.11966	2.1
165.12712	2.4
167.07098	1.5
171.06540	2.5
171.10152	7.7
173.09589	2.6
173.11729	7.2
175.11162	6.1
181.12251	4.1
183.06534	1.8
185.08194	1.3
185.11739	3.7
189.11208	12.8
191.10681	5.0
192.11317	2.0
193.12212	8.8
197.11819	1.1
199.09720	1.7
199.13268	13.4
200.14087	5.6
209.11748	13.0
210.12511	3.7
211.09630	1.7
211.13260	3.0
217.14360	2.9
223.13367	1.4
227.12781	21.1
228.13579	1.3
229.14355	6.3
247.13152	1.8
255.15918	3.3
267.15909	13.4
283.15430	14.2
284.16165	2.3
285.11322	1.1
301.16446	100.0
302.16898	5.8
311.22205	1.3
320.04932	1.1
335.48511	1.3
355.17654	1.3
425.25183	2.0
443.26364	4.5
455.26288	10.9
460.27979	1.4
475.26608	2.3
476.27338	1.3
477.28363	2.7
493.28040	5.6
509.27371	5.5
510.28326	8.1
527.28485	66.6
528.28662	4.6
703.07886	1.2
743.40100	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.4633
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	1.6
67.05502	19.8
69.03427	3.1
69.07074	4.8
69.42657	5.3
71.04988	3.4
79.05486	19.3
81.03413	81.3
81.06622	1.4
81.07057	18.6
83.04971	8.4
83.08614	19.2
85.02896	12.3
85.06532	1.8
91.03958	1.8
91.05474	23.9
92.79823	0.8
93.07045	13.8
94.43304	0.8
95.04964	26.5
95.08616	8.1
96.95918	0.8
97.02877	4.3
97.06532	2.7
97.10167	4.5
98.22565	1.7
99.08041	1.6
105.07021	19.5
107.04960	8.0
107.08601	6.6
109.02792	0.8
109.06515	5.6
109.10155	4.9
111.04417	2.8
111.08075	6.8
113.05977	1.4
115.05437	2.6
117.07019	2.9
119.04939	1.5
119.08572	14.4
121.06505	5.2
121.10155	8.1
123.04453	2.0
123.08064	3.2
125.06046	0.9
125.09637	4.6
129.07004	11.5
131.04903	2.2
131.07784	1.0
131.08580	10.9
133.06487	4.0
133.10120	9.6
135.08044	1.4
135.11699	1.6
137.05940	1.8
137.09639	3.1
142.07738	2.9
143.08598	1.4
145.06470	5.2
145.10104	3.2
147.04482	1.0
147.07986	5.0
147.11699	9.6
149.05901	1.1
149.09592	6.4
151.11142	1.0
153.01744	1.0
153.09077	0.9
155.08493	1.4
157.06505	1.4
157.10121	11.7
159.08086	1.5
161.05981	1.6
163.06049	1.6
163.11166	3.0
165.05435	1.0
165.12778	2.8
167.07031	2.4
171.11638	1.5
175.11179	12.2
177.12704	1.0
185.13223	1.1
187.11279	0.9
189.11194	1.5
189.12804	1.3
193.12230	32.1
195.11624	1.1
205.12198	0.9
211.13261	15.1
213.12817	1.0
227.12685	1.7
229.14333	1.7
233.15410	1.2
249.14824	2.1
255.13843	1.2
267.15891	100.0
268.16245	5.2
268.72244	0.9
273.14844	4.6
283.15399	2.8
285.16965	13.3
297.36862	0.9
299.09003	2.3
301.16705	1.0
309.16882	1.5
311.15903	0.9
341.20966	1.4
349.21634	3.5
367.22708	8.1
385.23627	9.7
386.24167	1.4
403.24759	2.8
415.24454	1.2
433.25803	19.4
434.26181	2.3
441.26447	7.0
442.26926	1.0
459.27380	75.8
460.27692	7.9
477.28455	43.0
478.28662	4.1
491.29843	0.9
501.28641	2.0
519.29303	3.0
554.58722	0.9
585.30017	2.4
603.31274	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.4959
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	2.5
68.05831	0.2
69.03426	3.8
69.07071	1.3
71.01363	0.8
71.05002	0.6
71.08636	1.8
71.31361	0.3
73.02914	4.1
73.51893	0.2
79.05508	1.2
81.03417	2.0
81.07053	2.8
82.07423	0.2
83.04989	0.4
83.08612	1.4
83.21160	0.2
83.67153	0.2
85.02905	6.6
85.10185	1.0
87.04475	0.2
91.03954	3.8
91.05484	1.3
93.07048	1.3
93.48206	0.2
95.04977	0.8
95.08612	2.2
97.02892	6.8
97.06545	0.3
97.10199	0.7
99.04445	1.0
101.02379	1.9
103.03950	0.3
105.07060	0.9
107.04958	0.5
107.08598	0.5
108.40042	0.2
109.02908	0.8
109.10151	1.6
111.04436	0.3
111.08061	0.4
115.03967	0.5
119.07860	0.2
119.08616	0.9
121.10184	0.8
123.11773	0.2
127.03906	1.5
131.08598	0.4
133.10127	0.4
135.11732	0.4
137.13316	0.2
145.04979	0.5
145.48500	0.2
147.11710	0.4
157.10048	0.3
185.04305	0.8
193.12282	0.5
203.05333	0.6
227.13051	0.2
239.23772	0.4
243.08395	1.9
251.12640	0.8
259.07892	0.3
267.15918	0.2
269.17615	0.4
291.19638	0.7
292.19968	0.6
307.15268	0.5
313.27463	1.0
335.25781	0.3
347.09515	2.1
363.09467	0.2
365.10675	0.6
405.13678	5.3
405.18811	0.4
469.20456	3.7
470.20758	0.3
497.30841	5.0
498.31424	0.5
520.34052	0.5
631.25708	2.8
659.36108	7.4
660.36462	0.4
725.44373	1.8
887.49652	100.0
888.50024	14.5
906.55768	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.4962
Annotation	Unknow
Peak:m/z	Relative Intensity
64.00417	0.7
66.25891	0.8
67.05496	5.0
69.03428	4.5
69.07068	1.6
71.08631	1.7
71.33305	0.9
71.33691	0.9
73.02923	4.6
79.05513	3.3
81.03424	2.2
81.07048	6.3
83.08630	1.9
85.02908	8.3
85.10202	0.9
91.03952	4.7
91.05486	3.4
93.07055	4.0
95.08627	3.7
97.02886	7.5
97.10218	0.8
99.04472	1.2
101.02396	2.2
103.03909	1.0
105.07048	1.4
107.08626	2.3
109.10165	1.3
119.08608	1.7
121.10123	1.8
123.11707	1.1
127.03941	2.1
131.08572	1.5
133.10132	2.1
135.11748	1.2
138.97754	0.8
159.98686	1.0
162.82751	0.9
185.04228	1.2
195.13760	1.0
243.08543	2.5
269.17609	2.5
313.26865	0.9
335.25839	3.2
347.09662	3.1
365.10742	1.7
405.13708	5.7
469.20517	6.9
497.31027	3.8
512.13586	0.9
529.38672	4.4
629.60889	0.9
631.25616	6.7
659.35760	5.3
725.44519	2.0
887.49652	100.0
888.49872	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	891.4643
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05475	1.4
71.34028	0.8
79.05437	1.3
81.07003	2.8
83.08583	0.9
84.69401	0.7
93.07027	1.0
95.08618	3.0
109.10089	1.3
119.08517	0.7
167.07030	0.9
217.04945	0.9
235.14833	0.7
246.41635	0.6
372.99619	0.7
393.09546	0.9
453.11551	100.0
454.11957	4.8
471.12680	4.3
494.14069	4.6
641.67072	0.7
643.07861	0.7
720.32190	0.8
733.44519	0.7
891.46289	80.1
892.46704	10.2
909.47369	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.4647
Annotation	Unknow
Peak:m/z	Relative Intensity
65.97161	0.4
65.98604	0.3
67.05465	0.8
69.07025	0.8
69.15089	3.4
73.52643	0.4
81.06995	1.6
83.08562	0.4
92.90269	0.3
93.07008	0.8
95.08611	2.5
96.08918	0.4
105.06977	0.5
107.08546	0.9
109.10120	0.7
112.60720	0.3
117.06944	0.3
119.08517	0.5
121.10072	1.1
123.11708	0.4
133.76520	0.3
135.11610	0.5
137.13179	0.4
149.13274	0.4
154.42014	0.5
167.06931	1.4
189.16382	0.7
201.16455	0.5
215.17905	0.4
217.04892	1.0
218.60367	0.4
239.03061	0.7
349.10690	0.4
388.78677	0.4
393.09500	1.5
453.11545	86.8
454.11856	4.7
471.12650	3.1
494.14343	3.6
588.65570	0.4
656.33356	0.4
681.63855	0.4
831.44653	0.8
891.46356	100.0
892.46698	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	893.4864
Annotation	Unknow
Peak:m/z	Relative Intensity
63.69029	0.3
67.05506	2.9
69.03438	3.0
69.07072	0.8
71.01354	0.4
71.31973	0.3
73.02922	3.4
79.05495	2.7
81.02454	0.3
81.03422	0.9
81.07063	3.0
82.93760	0.3
83.08624	0.7
85.02908	4.8
87.04458	0.6
91.03960	2.9
91.05484	1.5
93.07053	2.3
95.08616	2.1
95.09136	0.3
97.02896	4.5
99.04446	0.8
101.02371	1.7
105.07055	1.0
107.08619	1.4
109.02853	0.6
109.10144	0.8
117.06984	0.3
119.08571	0.5
121.10205	0.9
127.03941	2.1
131.08604	1.0
133.10164	0.8
135.11711	0.8
145.05028	0.5
145.10127	0.4
147.11711	0.3
149.13313	0.9
159.11700	0.5
185.04256	0.7
203.05312	0.4
203.22350	0.3
243.08461	1.3
264.61395	0.3
269.17508	0.4
325.38220	0.4
335.25949	0.4
347.09695	1.4
350.82452	0.3
365.10675	1.2
365.48270	0.3
405.13641	4.1
453.20813	3.2
519.29242	3.7
520.29968	0.5
615.26038	3.0
645.32495	0.3
681.34503	6.7
682.34930	0.7
723.38647	0.6
731.43622	0.9
856.93921	0.3
893.48529	100.0
894.48889	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	898.5362
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03926	1.2
67.05502	21.1
67.62644	0.6
68.09775	0.6
69.03429	6.6
69.07066	9.0
71.01344	1.2
71.04977	2.1
71.08630	22.5
71.30889	0.6
71.31293	0.7
73.02914	6.9
77.03867	0.6
79.05041	1.2
79.05487	15.4
80.06248	1.2
81.03416	9.2
81.06567	1.1
81.07050	22.5
82.04212	3.4
82.07375	0.8
83.04975	8.9
83.08616	12.5
84.02132	0.8
84.05765	1.2
85.02404	1.0
85.02900	14.1
85.06535	0.8
85.09692	1.1
85.10176	12.9
87.04465	1.3
89.06009	1.3
91.03954	6.6
91.05474	10.4
93.07035	10.2
94.07821	0.6
94.87204	0.5
95.04970	8.0
95.08602	17.7
97.02888	8.6
97.06532	6.0
97.10162	14.0
98.07310	4.3
99.04453	1.6
99.08073	0.9
101.06021	0.9
103.07520	0.7
105.07020	5.6
107.04942	3.6
107.08596	6.9
109.02892	0.8
109.06519	1.5
109.10149	11.4
110.07278	0.7
111.04430	1.4
111.08083	3.4
111.11691	0.7
112.58897	0.6
113.06010	0.9
115.03961	1.0
116.04707	11.9
117.06988	2.1
119.08572	4.8
121.06509	1.3
121.10173	3.1
123.08083	2.8
123.11687	3.0
125.09622	10.2
127.03917	2.3
127.11175	0.7
128.06169	0.8
129.05470	28.0
129.07011	1.5
131.08531	3.7
133.06508	0.7
133.10094	3.6
135.08035	2.0
135.11679	2.9
136.08783	0.8
137.09624	1.4
137.13223	1.0
143.07043	6.8
145.04944	2.5
145.10139	2.9
147.11681	4.2
149.09647	1.1
150.10468	0.7
151.11134	0.7
151.14880	0.7
153.09064	1.3
153.12727	1.2
155.08488	0.8
157.08609	15.9
157.10081	2.1
163.05991	2.9
163.11172	2.7
164.11978	0.6
165.12703	0.8
171.06526	1.5
171.10167	5.0
173.09607	0.9
173.11728	1.1
175.11201	2.5
181.12141	1.2
185.08012	0.9
185.11781	0.7
189.11220	7.5
191.10687	1.0
193.12215	3.4
199.13258	3.8
200.14110	2.1
209.11740	1.7
210.12479	1.2
211.13106	1.0
217.14305	0.7
227.12746	11.1
229.14383	0.8
239.23715	2.6
251.77483	0.7
255.16064	1.4
257.24747	1.8
265.14270	0.7
267.15884	4.7
283.12463	0.9
283.15375	6.4
301.16434	100.0
302.16782	5.2
311.22079	1.6
313.27338	75.6
314.27628	5.0
336.35992	0.7
367.28497	3.2
395.31555	1.6
438.37161	1.8
467.37228	2.2
505.38745	5.2
521.38342	3.2
522.38928	2.5
539.39374	66.1
540.39642	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	898.5366
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03905	1.4
67.05502	21.5
69.03427	5.6
69.07068	9.8
71.04951	1.8
71.08630	21.5
73.02927	5.5
79.05492	14.3
81.02986	0.6
81.03410	7.9
81.07055	22.3
82.04167	2.8
83.04977	7.5
83.08618	11.8
84.05701	1.1
85.02900	15.3
85.06506	1.6
85.10180	13.4
87.04414	1.1
89.06026	1.3
91.03959	7.4
91.04954	0.9
91.05473	11.0
93.07046	10.3
95.04964	7.8
95.08604	22.6
96.05720	0.7
97.02345	0.8
97.02878	9.7
97.06522	4.2
97.10172	8.9
98.07333	3.3
98.23376	2.1
99.04428	1.3
99.08053	1.0
101.03979	0.5
101.05990	0.8
103.03872	0.8
103.07489	0.7
105.07018	5.7
107.04932	4.5
107.08592	7.8
109.02832	1.3
109.06493	1.1
109.10159	10.7
111.04456	4.0
111.08083	3.3
111.11692	0.8
113.06014	0.9
115.03892	1.0
116.04710	6.1
117.07005	3.5
118.59232	0.7
119.08571	5.6
121.06431	1.6
121.10144	4.2
123.08031	2.3
123.11739	3.1
125.05956	0.8
125.09626	7.9
127.03878	2.8
127.11140	1.1
129.05467	14.6
129.06969	2.4
131.08557	2.9
133.10112	3.7
135.08014	2.6
135.11668	4.8
136.08794	0.6
137.09592	1.4
137.13275	1.4
143.07036	3.3
145.04977	3.1
145.10114	4.8
147.07982	0.9
147.11644	2.8
149.09610	1.5
154.09741	0.7
155.08475	0.8
157.08565	8.0
157.10054	2.0
158.05754	1.2
163.06006	3.4
163.11198	5.5
165.12714	0.8
171.06496	2.2
171.10097	2.1
173.09575	2.1
175.11125	0.9
181.12239	1.3
185.11652	1.1
188.11909	0.6
189.11169	2.8
191.10695	3.0
193.12184	2.7
199.13243	2.6
209.11710	6.1
213.11118	0.9
221.22678	1.0
227.12764	8.6
239.23663	4.0
251.54189	0.9
255.15936	4.6
257.24741	2.1
267.15918	3.7
269.17468	0.6
283.15402	33.6
284.15884	2.2
301.16440	45.9
302.16815	1.9
311.22174	1.6
313.27350	90.0
314.27768	5.1
314.30905	1.0
325.23737	0.7
367.28461	5.6
368.28680	0.8
381.29694	0.8
395.31866	1.5
438.36954	1.8
452.10416	0.7
467.37524	1.9
505.38806	5.4
521.38367	20.1
522.39044	3.4
523.39398	0.9
539.39398	100.0
540.39856	7.5
666.85089	0.7
783.19580	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.5725
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03952	1.4
67.05505	32.6
69.03425	2.2
69.07072	7.7
71.04993	11.9
71.08634	16.9
71.31236	0.8
73.02911	2.0
79.05484	7.6
81.03426	1.8
81.07058	58.7
83.04975	2.7
83.08618	9.6
85.02897	8.6
85.06548	7.0
85.10185	10.2
90.52667	0.6
91.03974	4.2
91.05480	11.6
93.07047	8.8
95.04959	1.8
95.08608	20.5
97.02897	5.5
97.06541	3.3
97.10152	4.3
99.04499	1.0
99.08134	1.5
99.11749	0.6
105.07029	4.9
107.08590	6.6
109.02850	0.8
109.06532	0.7
109.10160	9.3
111.08121	1.2
111.11711	0.9
117.07050	1.0
121.10144	2.4
123.08083	0.7
123.11713	11.4
123.12538	1.0
127.03925	2.0
131.08569	1.2
133.10139	9.2
135.08070	0.6
135.11742	1.7
137.13284	0.9
139.11215	0.6
140.11082	0.6
145.04990	1.7
149.13295	2.4
151.11195	4.5
159.11699	2.8
163.06047	2.6
169.12292	1.1
177.12779	2.2
183.13852	2.7
183.15317	0.6
187.13359	3.7
195.13788	1.1
201.14954	0.8
207.73195	0.6
225.14804	0.6
239.23759	1.6
257.17578	1.0
269.17477	4.1
301.20096	14.2
304.32196	0.6
313.27347	15.9
313.30896	1.1
481.38879	73.4
482.39182	6.8
495.40308	3.1
507.40662	7.0
508.40750	0.8
539.43066	100.0
540.43359	11.0
646.01379	0.6
651.44385	0.8
683.47400	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.5728
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03942	1.4
67.05503	39.4
68.05827	0.8
69.03431	2.0
69.07066	8.8
69.33986	3.9
71.04990	15.5
71.08629	18.4
73.02912	2.6
73.06568	1.1
79.05484	10.0
81.03422	1.7
81.07055	73.3
82.07378	0.8
83.04986	3.3
83.08616	10.8
85.02899	7.7
85.06540	5.7
85.10184	10.1
91.03957	5.2
91.05474	13.2
93.07046	9.0
95.04983	1.9
95.08603	21.8
97.02877	3.8
97.06534	2.4
97.10160	5.0
99.04454	0.7
99.08070	1.0
99.11744	1.4
105.07024	6.7
105.45737	0.6
107.08588	6.4
109.06491	1.0
109.10155	11.2
111.08107	1.4
111.11688	0.9
116.30329	0.6
117.07044	1.4
119.08554	0.7
121.10163	2.2
123.08049	0.5
123.11707	14.2
127.03918	2.4
129.05537	0.6
131.08598	2.7
133.10121	9.8
134.75476	0.6
135.08052	0.5
135.11681	2.1
137.13232	1.5
145.04996	1.9
145.10045	0.6
149.13246	3.1
151.11165	6.1
159.11708	2.5
163.06049	2.0
165.16283	0.5
169.12238	0.8
177.12796	1.5
183.13852	2.2
184.07335	0.6
186.37408	0.5
187.13330	3.5
195.13806	1.1
201.14851	0.8
220.50067	0.6
225.15080	0.7
239.23741	2.2
257.17508	1.0
269.17422	4.2
283.19110	0.7
301.20078	14.3
302.20334	0.7
313.27365	15.3
314.27710	1.2
341.26797	0.6
426.74658	0.7
481.38870	67.6
482.39005	5.6
495.40497	3.6
507.40472	5.9
539.43060	100.0
540.43378	11.6
540.93768	0.7
598.30151	0.6
683.46259	1.0
910.64258	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	1.9
67.05483	0.9
68.99784	9.6
69.14305	2.1
69.14724	3.1
72.10278	0.7
77.03913	0.6
81.03421	4.6
83.04960	1.4
89.03909	1.4
93.03389	1.6
95.04964	1.7
99.04431	1.0
105.03386	1.7
107.04964	3.1
109.02880	6.1
111.00793	10.7
111.01514	1.3
111.04402	2.9
117.03332	0.8
119.04920	1.5
121.02854	1.7
123.04420	28.8
127.03905	100.0
128.04234	2.0
129.07042	0.7
131.04907	1.8
133.02846	3.4
135.04405	28.0
137.02299	2.0
139.03891	88.5
140.04216	1.2
145.02827	1.4
145.06493	1.1
147.04413	7.0
149.02325	4.7
149.05972	1.3
151.03894	34.8
152.04239	1.3
153.01826	3.2
153.05461	1.1
153.06952	0.9
155.03372	5.5
155.04738	1.3
157.02751	0.7
157.06476	1.2
159.04373	2.7
161.02290	1.1
161.05937	3.2
163.03893	38.2
164.04219	1.0
165.01859	1.0
165.05446	2.3
167.03412	3.2
167.04634	0.7
169.04944	2.7
169.06374	1.4
171.04352	3.1
173.02325	0.8
173.05977	3.1
175.03896	13.5
177.05472	9.1
179.03377	35.9
180.03638	1.0
181.05029	3.4
181.06400	1.0
183.04401	1.4
185.05928	2.0
187.03873	4.0
187.07379	0.6
189.05484	4.5
191.03372	8.4
193.04922	2.6
194.82248	0.7
195.06561	0.6
197.05956	3.2
199.03914	4.1
201.05440	7.1
203.03381	21.5
203.05287	1.1
203.06943	1.4
205.04930	3.2
207.02849	0.9
209.06038	1.0
213.05478	6.2
214.05893	0.8
215.03432	3.6
215.06993	1.5
217.04926	5.8
219.06456	1.5
223.02303	1.2
223.05759	0.9
225.05405	1.2
227.03288	0.9
229.04944	9.0
231.06564	1.9
233.04410	4.4
237.05450	1.6
241.04919	5.5
243.06470	2.6
245.04434	63.8
246.04778	2.0
247.05984	31.3
248.06374	1.6
251.05492	1.8
253.04883	1.9
255.06555	2.6
257.04453	15.2
258.05069	1.5
259.06006	9.0
261.07611	0.9
263.05466	21.4
264.05728	1.0
265.04846	1.8
267.06741	0.7
269.04434	5.7
271.05972	13.2
271.08856	1.0
272.06256	1.1
273.07483	1.5
274.04712	2.5
275.05460	20.8
277.07019	3.0
277.67032	0.6
278.59799	0.7
281.04404	2.4
283.05960	13.2
284.06281	1.0
285.03928	2.4
285.07169	0.8
286.04379	1.1
287.05475	43.2
288.05875	1.9
289.03906	1.3
289.07028	15.8
291.08804	1.1
295.05905	2.4
297.03906	1.6
297.07425	1.1
299.05460	7.2
301.07028	14.6
303.04953	1.9
305.06570	9.3
307.08179	12.7
309.03857	2.0
311.05441	1.9
313.07047	2.2
317.06528	2.8
319.08127	1.2
323.05417	2.1
329.06387	1.1
331.08154	1.1
347.05612	0.9
351.04990	2.2
361.07037	1.7
365.06638	2.0
377.06537	0.8
379.07925	2.8
383.07648	2.3
389.06525	1.6
393.05969	4.1
395.07373	2.4
405.05917	2.6
407.07584	21.0
408.07910	1.5
409.09167	14.8
410.09470	2.0
413.08661	4.1
417.05817	1.0
419.07684	3.6
421.09262	1.4
423.07022	1.7
425.03296	1.1
425.08640	16.7
426.08740	0.8
427.10257	11.3
428.10385	1.2
431.07507	1.7
433.09039	1.0
435.07318	2.1
435.54117	0.8
437.08600	3.8
439.09891	1.0
441.08191	1.0
443.09799	8.1
449.08649	4.0
451.10101	1.8
467.09457	2.5
469.11523	1.0
527.09369	1.3
533.10657	1.5
543.08850	1.9
545.10553	1.4
551.11450	1.8
557.10620	2.1
561.10083	2.7
569.10907	1.0
603.11633	1.1
611.12103	0.8
713.14136	2.2
729.13751	1.0
731.15930	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.2021
Annotation	Catechin-(4alpha->8)-gallocatechin-(4alpha->8)-gallocatechin
Peak:m/z	Relative Intensity
65.03933	1.6
67.05505	1.8
68.99783	15.3
71.24971	1.1
81.03416	4.9
82.43054	1.0
83.04982	1.6
89.03905	1.4
91.05506	1.9
93.03397	1.6
95.04961	3.0
99.04438	1.4
105.03393	2.2
107.04947	4.1
109.02857	8.4
111.00786	12.5
111.04430	6.5
115.05447	2.2
119.04932	1.5
121.02847	3.2
123.04423	36.8
127.03911	97.1
128.04222	2.3
131.04872	1.5
133.02856	6.0
133.47200	1.2
135.04405	29.0
137.02298	2.7
139.03893	100.0
140.04254	3.4
142.42235	1.2
143.04939	1.3
145.06476	1.6
147.04385	9.0
149.02351	5.6
149.05902	1.3
151.03893	40.9
152.04185	1.7
153.01785	1.8
153.05437	2.3
155.03363	4.3
157.06404	1.6
159.04404	3.3
161.02339	1.7
161.05981	4.7
163.03903	33.6
164.04247	1.5
165.05475	4.5
167.03387	4.2
169.05017	2.8
171.04457	1.9
173.05972	2.5
175.03894	9.6
175.11897	1.7
177.05447	7.5
179.03389	49.5
181.04973	4.1
181.06451	1.2
183.04419	2.8
185.06035	3.5
187.03882	4.3
188.08199	1.1
189.05513	6.5
191.03368	12.3
191.06999	1.3
193.04971	3.6
197.05991	3.6
199.03915	4.8
201.05453	9.4
203.03381	24.3
203.07065	1.3
205.04955	4.7
211.03885	2.0
213.05432	6.6
215.03386	2.7
215.07103	1.5
217.04878	5.8
219.06563	2.3
221.04420	1.9
223.02335	2.5
225.05368	2.3
227.03510	1.4
229.04910	13.5
230.05423	2.0
231.06549	3.8
233.04372	6.8
241.04906	3.8
243.06529	3.4
245.04443	51.6
246.04832	2.2
247.06006	58.2
248.06322	3.6
249.88206	1.2
251.05461	1.5
253.04948	2.4
255.06509	2.1
257.04446	22.6
258.05148	3.0
259.06024	6.5
261.03918	1.4
261.07507	1.4
263.05484	32.9
264.05960	1.0
265.04965	2.0
269.04422	7.2
271.05978	16.6
273.12802	1.2
275.05466	28.0
277.07135	2.1
281.04489	3.9
283.05878	2.1
285.03766	1.8
287.05469	54.7
288.05786	1.2
289.07040	9.2
291.08707	7.8
293.04440	1.3
295.05942	2.5
297.03964	4.6
299.05527	20.6
300.05856	2.1
301.06979	3.6
305.06558	20.5
307.08337	9.8
311.05505	2.7
315.04861	2.7
317.06494	23.5
321.07507	1.1
323.05447	4.3
329.06516	1.8
335.05356	1.5
339.04819	3.3
349.06754	1.4
351.05066	3.9
377.06308	2.2
393.05933	7.9
395.07843	2.2
397.08957	1.6
399.06961	3.8
405.05969	5.8
407.07410	5.8
409.09232	5.1
411.07025	2.3
413.08508	1.7
419.07571	2.9
423.07120	11.4
424.07370	1.4
425.08585	22.9
427.10141	4.6
431.07690	1.7
435.07123	2.9
437.08566	3.7
441.08173	8.6
443.09744	27.7
444.10144	1.5
449.08517	2.2
451.09985	1.4
453.08228	4.2
455.09644	1.8
465.08221	2.5
467.09747	3.0
533.10773	3.5
543.08185	1.6
545.10608	3.0
549.10077	2.0
561.10156	6.2
573.10461	1.6
585.10004	2.2
695.13940	1.7
713.14264	1.7
773.69061	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03927	2.4
65.97111	0.7
67.01847	1.3
67.05498	1.0
68.99784	14.4
70.48190	1.6
70.48519	1.4
71.25387	0.8
77.03954	0.9
78.63491	0.7
79.05492	1.2
81.03436	4.6
83.04955	1.3
85.02894	1.3
89.03893	1.8
91.05471	1.7
93.03403	2.4
95.04968	2.0
99.04419	1.1
102.99434	0.7
103.05480	0.9
105.03373	2.0
107.04967	4.9
109.02879	7.5
111.00074	1.1
111.00794	13.6
111.04445	9.4
117.03354	1.4
117.07014	0.9
119.04931	2.2
121.02864	3.2
123.04420	46.9
124.04733	1.8
127.03907	95.1
128.04231	1.4
129.06976	0.9
131.04903	1.7
133.02812	4.2
133.06512	0.9
135.04404	34.2
136.04761	0.8
137.02316	2.5
137.05994	1.4
139.03891	100.0
140.04214	2.3
141.06963	0.9
143.04900	1.0
145.02792	1.1
145.06447	1.2
147.04405	10.0
149.02351	7.5
149.05966	2.2
151.03891	48.9
153.01796	3.1
153.05409	2.1
155.03369	7.7
155.04756	1.8
157.06479	1.8
159.04436	3.7
161.02269	1.0
161.05978	3.3
163.03891	32.1
164.04140	0.9
165.01788	1.2
165.05476	4.4
167.03403	3.4
169.04964	4.3
169.06482	2.3
171.04399	2.2
173.05991	4.8
175.03897	9.4
177.05499	9.7
179.03377	49.5
180.03705	1.3
181.04948	2.5
183.04355	2.7
185.05995	2.1
187.03830	4.4
188.12859	0.7
189.05482	4.9
191.03366	11.5
191.07011	0.8
193.04955	2.7
197.05914	3.4
199.03928	4.0
201.05476	9.6
203.03381	23.5
203.06927	1.7
204.03763	1.0
205.05009	2.1
211.03865	2.0
213.05438	7.2
215.03337	2.7
215.07053	1.9
217.05013	5.5
219.02879	0.9
219.06464	2.1
221.04526	1.1
223.02388	3.2
225.05415	2.0
227.03320	1.9
229.04942	12.6
231.02887	1.1
231.06561	4.3
233.04398	6.8
235.02423	1.0
241.05043	4.2
243.06412	2.4
245.04445	87.5
246.04819	4.4
247.05998	50.4
248.06303	2.1
251.05437	1.1
253.04909	2.5
255.06509	0.9
257.02280	0.5
257.04419	22.6
258.05081	2.5
259.06015	5.9
261.07526	1.9
263.05481	25.6
265.05072	1.5
267.06631	0.9
269.04495	6.6
271.05988	18.6
272.06329	1.5
274.04562	1.0
275.05472	28.9
276.05789	1.2
277.07013	2.8
279.06375	1.0
281.04434	4.0
283.05930	2.9
285.03812	2.4
287.05466	51.7
288.05759	4.2
289.07031	13.5
291.08707	5.2
293.04272	1.1
295.05939	1.3
297.03763	2.1
299.05493	17.0
301.07117	2.5
305.06531	26.4
306.06778	1.3
307.08286	10.5
309.03885	1.5
309.07437	1.0
311.05426	2.1
317.06506	19.2
318.06705	1.6
321.04041	1.4
321.07516	2.1
323.05478	1.1
329.06528	1.6
331.05768	1.3
337.07016	1.5
339.04984	1.9
347.07733	0.9
349.06943	1.5
351.04941	3.0
359.05154	0.9
365.06479	0.7
377.06720	1.3
379.07919	1.5
389.06580	1.0
391.08099	1.1
393.05865	6.2
395.07581	3.6
397.09149	5.3
399.07080	1.8
405.05988	8.3
407.07483	4.6
408.07901	0.9
409.09427	3.4
411.06747	1.3
413.08429	2.5
419.07318	2.9
423.07065	18.9
424.07175	1.3
425.03305	1.3
425.08624	20.2
426.08804	1.9
427.10110	3.2
431.07327	1.0
435.06964	5.4
437.08392	3.6
441.08051	7.3
443.09723	20.2
444.09912	2.1
447.07294	0.8
449.08591	2.3
451.10263	1.2
453.08118	4.2
455.09644	1.3
465.07831	1.0
467.09790	4.0
485.10593	1.2
527.09454	1.8
533.10352	3.0
543.09137	1.4
545.10535	2.3
551.11426	1.6
557.10168	1.1
561.10242	3.7
569.10614	0.9
575.11938	0.9
587.11810	1.2
595.14545	1.4
603.11377	1.1
605.12683	1.7
611.12933	1.0
713.14478	1.4
731.15479	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	902.4588
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	3.0
65.93427	1.0
67.05503	41.9
69.03427	6.7
69.07059	11.0
70.66397	1.0
71.01354	1.7
71.04984	4.2
71.32522	1.4
73.02901	4.3
79.05492	36.2
81.03416	100.0
81.07055	36.0
82.03746	1.7
82.04195	3.4
83.04980	20.1
83.08621	24.9
85.02899	9.6
85.06547	2.9
87.04463	2.0
91.03953	4.8
91.05477	38.0
93.07034	25.2
94.07337	1.5
95.04967	39.1
95.08607	14.9
97.02872	9.9
97.06528	8.0
97.10164	17.0
98.07289	5.1
99.04470	2.9
99.08102	2.5
101.06059	1.9
103.05470	2.1
105.07033	22.0
107.04947	20.2
107.08591	21.7
109.02901	2.4
109.06512	6.6
109.10151	19.8
111.04451	12.9
111.08082	13.2
115.05471	3.1
116.04705	11.4
117.05485	3.1
117.07007	8.3
117.74435	1.3
119.04955	1.4
119.08576	21.3
121.02898	5.4
121.06489	8.5
121.10133	16.2
123.04418	6.5
123.08069	5.5
123.11758	1.1
125.05992	1.4
125.09626	15.5
127.03924	1.6
128.06253	1.1
129.05490	29.6
129.06979	13.1
130.07765	1.7
131.04906	4.2
131.08575	17.4
133.06483	7.9
133.10117	10.4
135.04445	6.4
135.08057	5.8
135.11676	11.8
136.08821	1.6
137.05971	5.0
137.09584	5.1
139.03873	1.5
139.07498	1.1
142.07794	2.1
143.07027	6.8
143.08568	2.5
145.06508	2.9
145.10124	9.6
147.04411	3.4
147.08044	7.3
147.11674	12.4
149.05998	3.0
149.09645	8.3
151.03862	2.5
151.07504	2.2
153.01816	2.3
153.05586	1.3
153.09091	2.9
153.12726	20.2
155.08539	1.9
157.06499	1.5
157.08614	11.6
157.10123	14.4
158.05774	1.1
159.08014	1.6
159.11662	1.4
161.05963	3.1
161.09572	1.5
163.03870	1.3
163.06111	1.5
163.07602	3.0
163.11189	20.1
165.05466	1.5
165.09105	1.7
165.12730	3.0
167.07083	4.7
167.10681	1.7
171.10170	3.9
171.11525	1.5
173.09592	3.4
173.11838	6.2
173.13161	2.1
175.07455	1.1
175.11172	13.1
177.05457	1.2
181.12228	16.8
183.11667	4.3
185.11771	1.6
185.13326	1.9
189.05298	1.5
189.09343	1.7
189.11209	16.6
189.12802	2.0
191.10657	9.6
192.11108	1.4
193.12233	33.5
194.12506	1.2
199.13252	5.9
200.14014	1.8
201.12753	3.8
201.14853	3.4
203.10785	1.8
205.12201	2.6
209.11703	8.7
211.13219	10.0
219.13820	5.1
225.14984	2.0
227.12773	45.8
228.13116	1.5
229.12289	2.7
229.14343	17.9
231.13829	3.6
235.13367	1.6
237.14737	1.4
247.13293	32.8
248.13737	2.3
249.14835	3.1
255.15924	1.8
259.13266	2.6
265.14322	2.9
267.15903	75.6
268.16281	5.6
273.14810	1.6
283.15384	21.4
285.17014	2.7
289.14343	1.6
299.09164	3.1
301.16498	36.9
302.16684	2.7
321.16974	12.3
339.17911	3.0
355.22552	2.0
383.22272	5.3
384.22079	1.3
401.23145	3.4
421.25760	2.2
439.26419	1.1
458.26395	1.9
459.27368	3.6
475.26901	23.0
476.27481	5.7
493.27969	35.1
494.28378	3.0
525.30701	1.8
589.29846	1.4
619.31116	1.6
902.44696	2.8
903.42780	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	902.5101
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03948	2.7
67.05505	50.0
68.05798	0.5
68.73234	0.6
69.03430	3.1
69.07068	10.7
71.01321	1.1
71.04652	0.4
71.04993	5.2
71.08622	0.9
71.24847	0.5
73.02924	4.3
73.59833	0.5
77.03918	0.6
79.05492	45.5
80.05791	1.3
81.03417	13.6
81.07056	53.6
82.03725	0.7
82.07375	1.0
83.01344	8.2
83.04980	11.6
83.08620	16.2
85.02903	20.7
85.06495	1.2
87.04467	0.5
88.66543	0.5
91.03959	10.1
91.05478	26.2
92.05765	0.6
93.07044	54.0
94.07358	0.9
95.04977	7.3
95.08605	38.0
96.04514	0.7
97.02895	11.2
97.06530	5.6
97.10165	5.5
99.04461	3.2
99.08031	1.0
103.03870	0.5
103.05413	0.7
105.04489	1.2
105.07029	20.1
106.07401	0.7
107.04953	6.8
107.08592	29.7
108.08871	0.7
109.02806	1.4
109.06514	7.0
109.10149	16.3
111.04417	2.3
111.08068	3.2
111.11710	0.7
112.51455	0.5
113.09590	0.5
115.03924	1.0
115.05418	0.8
117.07023	11.3
119.07761	0.9
119.08578	16.5
121.06520	3.9
121.10141	23.4
122.10477	0.7
123.08073	8.8
123.11711	5.7
125.05927	0.8
125.09624	4.3
127.03927	3.9
129.06989	2.8
130.07733	2.1
131.07674	1.0
131.08569	12.8
132.08865	0.6
133.10130	11.0
135.08096	2.6
135.11688	21.8
136.11995	0.6
137.09602	2.2
137.13214	1.9
139.07495	0.9
143.08517	2.0
144.06554	0.7
145.04921	5.2
145.06381	0.9
145.10118	23.3
147.08012	2.1
147.11681	6.5
149.09590	1.3
149.13277	7.0
151.11183	0.8
151.14818	0.5
153.12785	2.5
155.08536	2.1
157.10176	1.1
159.11703	6.2
161.13237	4.9
163.06029	4.9
163.11180	21.7
163.14764	2.9
165.12758	0.7
169.10052	0.8
171.11674	1.5
173.09599	2.7
173.13245	5.6
174.10020	0.6
175.11160	0.8
175.14803	2.4
177.16432	0.8
181.12254	3.7
183.11728	0.7
185.13272	1.0
187.14792	3.1
189.11192	3.0
189.16386	0.7
191.10674	3.3
191.14174	0.6
193.12175	1.9
197.13217	0.8
199.14874	1.0
201.16360	1.3
203.14305	0.7
209.11711	5.9
211.13190	1.1
227.12794	11.7
233.22493	0.8
239.07745	0.5
241.19492	1.1
243.21063	6.0
259.20602	1.6
261.22134	19.9
262.22433	1.1
267.15921	2.6
273.22171	0.7
279.23318	0.9
281.22903	0.7
283.15393	100.0
284.15756	3.8
285.16901	1.2
299.23608	5.3
301.21597	0.8
313.27286	0.7
314.27762	0.9
315.28046	1.0
317.24777	5.4
333.24326	1.8
335.25797	89.7
336.26181	4.7
433.30905	1.9
451.32211	3.6
469.33270	2.6
487.34299	1.2
506.39557	0.6
515.36877	0.8
525.35870	5.5
526.36188	0.7
543.36792	86.2
544.37115	7.5
561.38019	4.9
671.46661	0.6
897.23730	0.6
903.49371	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5106
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	1.8
67.05502	39.2
69.03417	3.8
69.06709	1.1
69.07061	10.6
70.46525	1.1
70.46880	1.6
71.01346	1.6
71.05000	3.3
71.08634	0.9
73.02917	4.5
77.03892	0.6
79.05489	36.7
81.03412	10.5
81.07052	45.3
82.07368	0.8
83.01331	6.4
83.04975	9.8
83.08126	0.8
83.08617	14.2
85.02900	19.0
85.06554	1.3
87.04449	0.7
91.03957	10.2
91.05474	23.5
93.07039	45.2
95.04961	8.3
95.08599	31.5
96.04501	0.9
96.08917	0.7
97.02889	10.4
97.06527	5.4
97.10172	4.8
99.04465	3.2
99.08099	1.0
103.05482	0.7
105.04484	1.2
105.07021	17.8
107.04969	6.8
107.08588	26.5
108.08929	0.7
109.02833	0.9
109.06484	5.5
109.10149	12.8
111.04436	2.1
111.08060	2.5
115.03938	1.2
115.05415	0.6
117.07012	9.7
119.08584	15.2
121.06525	3.2
121.10141	18.4
123.08068	8.0
123.11733	4.3
125.05992	1.2
125.09630	4.2
127.03907	4.7
129.06984	2.7
130.07784	1.2
131.08557	11.4
133.10118	7.7
135.01767	0.6
135.08055	2.2
135.11685	16.9
137.09590	2.3
137.13245	1.4
143.08565	1.5
145.04951	4.3
145.06526	0.6
145.10117	18.0
147.08034	1.7
147.11662	4.3
149.09602	1.4
149.13254	5.1
153.09119	1.0
153.12717	3.3
155.08504	1.3
157.10188	0.9
159.11694	5.7
161.13295	4.2
163.06026	6.6
163.11166	21.6
163.14761	3.1
165.12730	0.6
169.10118	1.0
169.29625	0.6
171.11639	0.7
173.09592	3.7
173.13260	3.9
175.14856	1.8
177.16434	1.2
181.12273	3.7
185.13361	1.1
187.14789	1.8
189.11221	1.9
191.10637	3.3
193.12262	1.7
195.11734	0.7
199.14864	0.9
209.11703	7.2
211.13170	1.4
220.36293	0.6
227.12759	11.4
233.22629	0.7
243.21095	5.9
259.20505	2.1
261.22125	13.7
267.15891	2.7
277.21729	1.0
283.15381	100.0
284.15714	3.8
285.16870	0.7
299.23709	5.8
311.23764	0.6
314.27530	0.9
317.24780	4.1
333.24216	2.2
335.25781	66.1
336.26166	4.7
404.69177	0.7
433.31104	1.7
441.33975	0.8
451.31940	3.3
469.33032	3.9
487.33850	1.6
515.37103	0.9
525.35535	5.0
543.36804	57.0
544.36938	4.0
561.37653	3.6
896.03284	0.7
903.48682	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5102
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03942	2.1
67.05502	38.0
68.05830	0.7
69.03400	1.5
69.06725	0.8
69.07065	10.3
71.04982	2.3
73.02882	1.8
73.09280	0.4
75.31824	0.4
77.03925	0.5
79.05489	33.9
80.05804	1.0
80.06263	0.5
81.03416	2.5
81.07052	40.4
82.07368	0.7
83.04987	3.2
83.08614	9.9
85.02901	3.0
85.06507	1.3
86.80494	0.4
91.03959	2.1
91.05472	14.6
92.05752	0.8
93.07040	47.3
94.07370	1.1
95.04417	0.7
95.04967	7.1
95.08601	48.8
96.04452	0.5
96.08913	1.5
97.02885	5.3
97.06522	3.8
97.10165	2.1
99.04448	3.4
99.08060	0.6
101.11617	0.4
103.05453	0.6
105.04491	1.4
105.07028	12.2
106.07352	0.6
107.04951	5.5
107.08588	31.3
108.05278	0.5
108.08912	0.8
109.06491	1.8
109.09441	0.6
109.10154	11.5
111.04419	1.4
111.08068	1.6
114.06269	0.4
117.07015	7.9
119.07764	0.7
119.08575	12.0
120.08872	0.5
121.06508	4.5
121.09287	1.0
121.10142	20.0
122.10443	0.7
123.08043	1.1
123.11730	3.1
125.05977	2.0
125.09592	0.7
127.03887	0.6
127.07538	0.6
130.07774	1.2
131.08571	4.9
133.09206	0.5
133.10136	7.2
135.08025	1.4
135.11685	41.3
136.12012	1.5
137.09601	1.2
137.13226	0.9
139.07541	1.4
139.11153	0.6
143.08510	1.6
145.04979	0.4
145.10114	24.6
146.10440	0.9
147.11694	3.3
149.09564	0.7
149.13271	3.1
151.11041	0.4
151.14728	0.6
153.12714	1.1
157.10052	0.6
159.11685	2.4
161.13252	1.9
163.11174	47.5
163.14819	1.8
164.11539	1.4
171.11650	0.5
173.09680	0.7
173.13254	2.9
175.14790	0.8
177.16324	0.5
181.12215	7.8
182.12541	0.4
187.14803	1.1
195.11768	0.4
209.11772	1.1
219.17285	0.6
227.12767	55.4
228.13226	2.0
243.21066	2.4
247.61098	0.4
261.22125	9.3
267.16074	0.6
283.15381	55.7
284.15695	2.7
299.23376	0.6
312.22992	0.4
313.27432	0.7
314.27737	0.5
317.24875	2.5
335.25778	100.0
336.26129	7.6
405.94016	0.4
466.02686	0.4
506.39417	0.4
543.36780	87.3
544.37177	12.4
561.37848	0.8
902.48364	0.7
903.48993	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5829
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	37.4
69.07070	17.1
69.30511	7.5
69.30919	2.9
71.08639	2.2
73.02927	4.6
79.05495	13.0
81.03442	1.9
81.07054	43.1
83.04979	1.9
83.08620	7.2
85.02911	10.4
85.06551	2.5
91.03967	7.2
91.05471	11.8
91.53723	1.4
93.07049	12.2
95.08598	30.5
97.02874	6.1
97.03439	1.6
97.06536	3.5
97.10170	5.0
98.23326	1.6
99.08099	3.2
101.74448	1.3
105.07031	8.2
107.08601	8.2
109.10158	11.7
111.08083	1.8
119.08581	7.4
121.10154	7.8
123.11734	6.7
127.03920	4.1
129.05495	1.5
131.08569	3.8
133.10141	8.0
135.11682	6.6
137.13284	4.4
145.04944	4.2
145.10060	2.1
147.11665	3.8
149.13251	4.9
151.14836	2.4
159.11740	1.8
161.13290	4.3
163.06044	5.2
175.14790	2.7
177.16553	1.5
182.36974	1.3
189.16461	1.5
215.17995	3.9
217.19499	8.5
233.19057	6.1
235.20561	8.3
307.22571	2.2
309.24225	100.0
310.24500	3.9
311.25708	8.7
381.62088	1.3
387.18195	1.7
449.31540	1.6
456.71057	1.5
469.40195	2.7
502.65472	1.5
543.44049	25.1
544.44678	2.8
561.45197	20.7
562.45105	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	904.5259
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	2.5
67.05505	48.3
67.05865	2.5
68.05836	4.3
69.03430	6.3
69.07069	13.4
71.01368	1.2
71.04998	5.5
71.43015	0.9
73.02906	6.8
78.90401	0.9
79.05492	46.8
80.05830	4.5
81.03417	38.0
81.07055	54.1
82.03740	2.2
82.07382	5.2
83.01346	3.6
83.04979	12.5
83.08626	19.7
85.02901	28.5
85.06541	3.0
86.03239	1.2
91.03964	8.4
91.05475	33.4
92.04268	0.9
92.05820	3.7
93.07040	44.6
94.07358	5.5
95.04964	18.1
95.08604	36.6
96.08915	5.5
97.02885	10.2
97.06537	5.1
97.10180	4.6
98.23395	2.9
99.04462	2.2
99.08125	1.9
105.04510	1.3
105.07030	22.8
106.07368	2.6
107.04960	5.9
107.07921	2.1
107.08601	22.7
107.09177	0.6
108.08935	3.4
109.06505	4.5
109.10142	14.9
110.06847	1.2
110.10498	1.6
111.04417	1.4
111.08101	4.3
111.36566	1.0
113.05983	1.5
117.06982	6.1
118.07311	1.1
119.07721	2.2
119.08566	22.3
120.08934	1.7
121.06501	2.8
121.10146	18.0
122.10445	1.8
123.08056	6.0
123.11718	4.1
125.09647	4.9
127.03917	2.4
129.06978	5.9
131.08546	12.3
132.08925	2.2
133.06482	1.6
133.10136	12.1
134.10464	2.1
135.08102	1.5
135.11691	13.8
136.12029	3.6
137.09602	3.1
139.11188	1.1
143.08595	1.7
145.04927	2.6
145.10139	7.7
146.10445	2.5
147.08105	2.2
147.11697	13.4
149.09631	4.5
149.13300	5.2
150.13646	1.1
151.11130	1.3
155.08524	1.8
157.10159	8.5
159.11700	4.2
159.85138	1.1
161.13268	3.5
163.06027	2.8
163.11154	8.2
163.14934	1.7
164.11534	2.6
165.12793	2.4
173.09660	1.7
173.13313	3.8
175.11205	7.6
182.10420	1.1
187.14824	1.7
189.11169	1.1
191.10757	1.5
193.12244	22.2
206.17609	0.9
209.11740	1.6
211.13281	29.5
227.12729	5.0
228.96379	1.0
229.14323	1.9
243.21178	2.2
244.21350	1.2
261.22162	9.2
262.22446	3.4
267.15991	6.3
283.15405	18.3
284.15790	14.2
285.16946	31.4
286.17392	2.0
300.23993	1.1
317.24823	2.0
335.25787	47.3
336.26132	17.4
337.26581	5.1
347.09515	1.7
405.13419	1.4
435.31998	1.2
443.18805	1.7
453.33673	1.3
471.34741	2.8
487.22269	1.2
497.30618	2.1
527.37073	8.1
528.38013	1.1
543.36713	7.7
544.37170	11.1
545.38226	100.0
546.38556	7.5
563.38531	1.7
605.24115	1.4
659.35449	3.1
904.49432	11.2
905.50677	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	904.5264
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	2.5
67.05505	39.7
68.05795	1.3
69.03429	4.0
69.07076	10.3
70.59010	2.2
71.05013	2.2
73.02911	3.1
79.05490	33.3
80.05800	1.0
81.03413	30.4
81.07053	44.3
82.07383	2.0
82.29169	0.9
83.04973	7.1
83.08622	13.4
85.02904	17.4
85.06534	2.5
91.03952	4.4
91.05478	28.4
92.05884	1.0
93.07041	32.7
94.07366	1.3
95.04962	15.0
95.08604	29.0
96.08949	1.5
96.18228	0.8
97.02895	6.5
97.06529	3.9
97.10168	3.0
99.04482	1.6
99.08104	1.2
105.07025	18.0
107.04945	4.1
107.08588	15.9
109.06539	4.5
109.10159	13.1
111.04442	1.5
111.08088	4.8
113.05985	1.5
116.20846	0.9
117.07027	3.7
119.06136	0.8
119.08578	14.9
121.10146	13.1
123.08060	2.4
123.11690	4.6
125.06013	0.9
125.09642	1.7
127.03912	1.9
129.07010	6.4
131.08583	10.7
133.06551	1.6
133.10129	13.9
135.08043	1.1
135.11687	9.2
137.09602	2.7
137.13283	1.4
141.06960	1.0
142.07808	1.9
143.08569	1.8
145.04938	1.7
145.10115	7.0
147.07956	2.2
147.11688	10.9
149.09671	3.6
149.13240	4.1
151.11159	1.6
155.08519	1.2
157.10141	7.7
159.11711	3.5
161.13280	2.5
161.37259	0.8
163.05978	1.6
163.11156	2.9
163.14877	1.4
165.12732	2.9
169.10132	1.0
173.13261	3.2
175.11166	8.1
175.14787	1.6
185.13214	1.3
187.14821	2.3
193.12236	21.2
194.12653	0.9
197.13103	1.2
211.13283	23.2
211.15121	1.7
227.12881	1.1
261.22089	8.0
267.15891	9.9
283.15445	2.5
284.15820	1.9
285.16971	29.9
314.96164	0.9
335.25787	50.9
336.26224	5.4
408.88782	1.0
435.32703	1.4
453.33469	1.6
471.34369	1.9
527.37445	10.0
543.36267	1.1
544.37964	1.1
545.38330	100.0
546.38617	8.8
904.49658	8.5
905.51221	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	904.5255
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	53.7
69.03432	4.7
69.05372	2.9
69.07066	12.2
69.07868	3.9
69.08266	26.7
71.04995	4.0
71.05843	3.5
71.90434	3.1
73.02942	2.9
77.89467	2.7
79.05496	41.9
81.02996	4.3
81.03422	34.4
81.07052	51.0
83.04972	10.0
83.08604	19.4
85.02903	26.5
85.06539	3.6
91.03969	7.3
91.05467	29.9
93.07051	33.1
94.15826	2.9
95.04961	16.1
95.08605	36.5
97.02888	8.0
97.06516	3.9
97.10151	5.0
103.13837	2.9
105.07026	19.1
107.04926	3.4
107.08582	22.9
109.06496	6.3
109.10170	14.3
111.04469	2.8
111.08038	7.5
117.06998	7.8
119.08582	20.1
121.10134	22.1
123.08094	3.2
123.11716	3.8
128.37447	3.3
129.06979	4.4
131.08554	15.6
133.10135	10.9
135.11691	6.0
145.10063	5.3
147.11647	14.0
149.09604	7.4
149.13240	5.4
150.82332	3.0
157.10152	6.0
159.11714	6.2
161.13210	4.8
165.12799	4.5
173.13213	3.9
175.11226	7.8
191.33943	3.2
193.12267	29.3
211.13261	33.7
261.22144	10.8
267.15903	11.8
271.05975	3.8
285.16962	48.4
317.24408	3.8
335.25772	58.0
336.26132	5.1
383.20172	3.1
527.37024	12.0
545.38373	100.0
546.38354	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	904.5262
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03959	2.7
65.18937	0.5
67.05504	64.4
68.05809	0.9
69.03427	6.5
69.07068	15.4
71.01335	1.1
71.04996	7.1
71.08595	0.6
71.31589	0.8
73.02918	3.9
77.03901	0.9
79.05492	52.6
80.05784	0.7
81.03416	65.5
81.07055	62.5
82.03727	0.9
82.07372	1.6
83.04980	16.2
83.08620	25.9
84.08934	0.7
85.02904	38.0
85.06534	3.2
91.03959	9.5
91.05478	46.6
92.05753	1.2
93.07044	48.7
94.07359	1.3
95.04348	0.8
95.04968	27.4
95.08604	42.8
96.04420	0.8
96.05276	0.7
96.08891	1.0
96.43402	0.5
97.02261	0.7
97.02887	11.5
97.06520	6.2
97.10164	5.8
99.04421	1.5
99.08066	1.7
101.02351	0.7
103.05448	0.6
105.04479	1.8
105.07024	31.9
106.07369	1.1
107.04948	7.0
107.08592	25.3
108.08894	1.0
109.02891	1.1
109.06513	6.4
109.09457	0.8
109.10157	16.1
110.86649	0.6
111.04462	2.8
111.08086	11.9
113.05972	2.3
113.09639	0.6
115.03912	1.3
115.05424	1.6
117.07002	6.0
119.08580	25.7
120.08944	0.6
121.06451	2.4
121.10143	21.5
123.08094	3.7
123.11684	6.4
125.09602	2.3
127.03925	3.2
129.06129	0.8
129.06999	11.5
131.08571	18.8
132.08911	0.7
133.06482	3.3
133.10124	16.9
134.10422	1.0
135.08041	1.3
135.11687	11.3
137.09584	2.5
137.13272	1.4
141.07004	0.6
142.07758	2.8
143.08588	1.1
145.04936	2.5
145.10121	8.4
147.08054	3.1
147.11682	19.3
147.12866	1.0
148.11993	1.0
149.09641	5.1
149.13242	5.2
151.11156	1.2
155.08562	0.8
157.08855	1.1
157.10112	16.6
158.10318	0.6
159.11694	4.8
161.13278	2.6
163.06041	3.0
163.11156	1.8
163.14809	2.3
165.12759	2.9
171.11716	1.8
173.13266	4.4
175.11182	15.9
175.14774	1.6
176.11435	0.7
177.16325	0.9
183.11722	0.6
185.13231	1.2
187.14778	1.7
189.11186	1.0
190.88631	0.6
191.18068	0.8
193.12238	43.6
194.12564	1.8
197.13362	0.7
201.16345	0.7
211.13287	69.4
212.13655	4.0
227.12819	1.5
229.14424	0.7
243.21036	3.4
248.72157	0.6
261.22156	9.7
262.22479	0.7
267.15891	16.2
268.16284	1.1
277.21744	1.0
279.23178	1.1
285.16959	73.6
286.17239	3.7
301.25220	1.2
303.23444	0.7
317.24728	2.9
335.25793	70.1
336.26105	7.1
352.61948	0.6
435.32581	2.3
453.33594	2.6
471.34869	1.5
482.02206	0.6
527.37354	13.5
528.37952	1.9
545.38348	100.0
546.38672	14.9
563.39978	0.6
634.11401	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	906.5433
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03896	2.1
67.05502	45.1
68.05805	0.9
69.03436	4.5
69.07066	13.6
69.22461	2.1
69.22887	2.1
71.01309	0.8
71.04995	4.5
71.08601	1.1
73.02911	4.5
79.05491	24.0
81.03416	40.5
81.07053	44.7
82.03719	1.2
82.07362	1.2
83.04978	11.3
83.08615	22.3
85.02899	26.6
85.06497	2.0
90.07539	0.5
91.03955	7.0
91.05476	25.2
92.05788	0.7
93.07043	22.2
94.07349	1.1
95.04968	17.0
95.08603	31.9
96.08884	0.7
97.02887	10.0
97.06526	4.0
97.10150	5.6
99.04395	1.3
99.08055	2.0
101.02362	0.8
103.03901	0.7
105.07026	17.9
107.04950	4.4
107.07940	0.8
107.08588	10.5
109.06518	3.1
109.10156	14.5
110.10447	0.5
111.07441	0.6
111.08084	6.2
111.11668	1.1
113.05968	1.9
113.09521	0.5
115.03924	0.6
115.05371	0.9
117.06982	1.7
119.04829	0.6
119.08583	16.7
120.08877	0.5
121.06452	1.4
121.09277	0.8
121.10122	10.5
123.08018	2.1
123.10987	0.5
123.11709	4.6
124.03370	0.6
125.09583	1.4
127.03902	3.2
127.11089	0.7
129.05511	0.5
129.07010	6.3
131.08571	7.9
133.06445	1.5
133.09206	0.8
133.10121	10.6
134.10353	0.5
135.11702	3.9
137.09587	1.9
137.13196	1.8
142.07751	1.6
145.04977	3.3
145.10068	2.1
147.07997	1.8
147.10596	0.8
147.11682	12.9
148.11951	1.1
149.09621	4.3
149.13226	1.8
151.11153	0.8
155.08521	0.5
157.10117	9.8
159.11674	0.7
161.13203	1.6
163.06001	2.4
163.11142	1.2
163.14828	0.7
165.12741	2.8
173.09665	0.5
173.11679	0.5
173.13190	0.8
175.09698	0.6
175.11186	10.5
175.14877	0.9
176.20656	0.5
187.14693	0.5
189.11145	0.5
189.16519	0.6
193.12230	31.3
194.12552	0.9
199.14709	0.6
201.97662	0.5
211.13280	52.8
212.13611	2.1
227.12761	0.9
229.14223	0.8
243.08348	0.9
245.22571	1.5
249.14931	0.8
263.23767	2.8
263.28568	0.5
267.15906	13.5
268.16141	0.8
285.16949	69.0
286.17270	3.3
293.20648	0.6
293.95160	0.5
319.26208	0.9
335.25751	1.3
336.25861	0.6
337.27353	58.0
338.27655	2.9
347.09515	0.7
380.52689	0.5
405.13602	1.4
437.34482	1.0
443.18994	0.7
455.35037	0.9
467.18832	0.7
473.36032	0.7
473.69257	0.5
489.35718	3.0
498.31354	0.6
515.36865	0.8
529.38794	12.2
530.39447	1.1
547.39893	100.0
548.40283	10.3
548.48291	1.0
554.58881	0.5
649.26563	0.7
650.27209	0.7
660.36340	1.2
681.34216	0.7
848.56879	0.6
906.50983	28.3
907.46790	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	906.5433
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03896	2.1
67.05502	45.1
68.05805	0.9
69.03436	4.5
69.07066	13.6
69.22461	2.1
69.22887	2.1
71.01309	0.8
71.04995	4.5
71.08601	1.1
73.02911	4.5
79.05491	24.0
81.03416	40.5
81.07053	44.7
82.03719	1.2
82.07362	1.2
83.04978	11.3
83.08615	22.3
85.02899	26.6
85.06497	2.0
90.07539	0.5
91.03955	7.0
91.05476	25.2
92.05788	0.7
93.07043	22.2
94.07349	1.1
95.04968	17.0
95.08603	31.9
96.08884	0.7
97.02887	10.0
97.06526	4.0
97.10150	5.6
99.04395	1.3
99.08055	2.0
101.02362	0.8
103.03901	0.7
105.07026	17.9
107.04950	4.4
107.07940	0.8
107.08588	10.5
109.06518	3.1
109.10156	14.5
110.10447	0.5
111.07441	0.6
111.08084	6.2
111.11668	1.1
113.05968	1.9
113.09521	0.5
115.03924	0.6
115.05371	0.9
117.06982	1.7
119.04829	0.6
119.08583	16.7
120.08877	0.5
121.06452	1.4
121.09277	0.8
121.10122	10.5
123.08018	2.1
123.10987	0.5
123.11709	4.6
124.03370	0.6
125.09583	1.4
127.03902	3.2
127.11089	0.7
129.05511	0.5
129.07010	6.3
131.08571	7.9
133.06445	1.5
133.09206	0.8
133.10121	10.6
134.10353	0.5
135.11702	3.9
137.09587	1.9
137.13196	1.8
142.07751	1.6
145.04977	3.3
145.10068	2.1
147.07997	1.8
147.10596	0.8
147.11682	12.9
148.11951	1.1
149.09621	4.3
149.13226	1.8
151.11153	0.8
155.08521	0.5
157.10117	9.8
159.11674	0.7
161.13203	1.6
163.06001	2.4
163.11142	1.2
163.14828	0.7
165.12741	2.8
173.09665	0.5
173.11679	0.5
173.13190	0.8
175.09698	0.6
175.11186	10.5
175.14877	0.9
176.20656	0.5
187.14693	0.5
189.11145	0.5
189.16519	0.6
193.12230	31.3
194.12552	0.9
199.14709	0.6
201.97662	0.5
211.13280	52.8
212.13611	2.1
227.12761	0.9
229.14223	0.8
243.08348	0.9
245.22571	1.5
249.14931	0.8
263.23767	2.8
263.28568	0.5
267.15906	13.5
268.16141	0.8
285.16949	69.0
286.17270	3.3
293.20648	0.6
293.95160	0.5
319.26208	0.9
335.25751	1.3
336.25861	0.6
337.27353	58.0
338.27655	2.9
347.09515	0.7
380.52689	0.5
405.13602	1.4
437.34482	1.0
443.18994	0.7
455.35037	0.9
467.18832	0.7
473.36032	0.7
473.69257	0.5
489.35718	3.0
498.31354	0.6
515.36865	0.8
529.38794	12.2
530.39447	1.1
547.39893	100.0
548.40283	10.3
548.48291	1.0
554.58881	0.5
649.26563	0.7
650.27209	0.7
660.36340	1.2
681.34216	0.7
848.56879	0.6
906.50983	28.3
907.46790	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	906.5424
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	1.8
67.05502	47.7
69.03426	6.3
69.07066	19.1
69.56753	1.0
69.57169	3.0
71.04998	4.0
71.08627	1.4
73.02911	6.2
79.05486	23.1
81.03415	38.2
81.07054	49.7
82.07390	0.9
83.04967	9.1
83.08614	20.2
85.02399	1.6
85.02901	26.7
85.03413	1.5
85.06530	1.8
85.10150	0.9
87.04477	1.2
91.03959	8.0
91.05472	25.3
92.05865	1.2
93.07041	22.9
95.04963	13.9
95.08601	34.6
97.02891	11.4
97.06527	3.6
97.10165	5.5
98.22615	0.8
99.04455	1.3
99.08089	1.5
101.02386	1.6
103.03918	0.9
103.05447	0.7
104.60529	0.6
105.04598	0.7
105.06348	1.2
105.07031	17.5
107.04934	3.6
107.08592	11.4
107.30333	0.7
109.06506	3.4
109.10149	14.3
111.04457	1.2
111.08080	4.6
113.05986	1.6
115.03939	0.8
115.05432	1.2
117.07018	1.8
119.08572	15.4
121.06518	1.5
121.10130	8.9
121.77477	0.8
123.08075	2.1
123.11716	4.9
125.09609	1.8
127.03903	2.4
127.07555	0.9
129.07028	5.0
131.08569	8.7
132.08971	0.7
133.06508	1.6
133.10123	10.5
135.11708	4.6
137.09586	1.4
137.13243	1.7
138.80656	0.7
140.71057	0.7
142.07803	2.3
145.04987	3.2
145.10133	3.2
147.07993	1.7
147.11664	10.2
149.09619	3.2
149.13249	1.6
151.11206	0.7
151.14824	0.8
157.10112	7.9
161.13188	1.7
163.06027	2.6
163.11200	1.8
163.14828	1.3
165.12733	1.6
175.11186	7.8
175.14877	1.0
185.04263	0.6
189.47153	0.7
193.12215	22.0
194.12569	0.9
198.79292	0.8
211.13284	33.8
212.13623	1.5
229.14377	0.8
243.08524	1.5
245.22676	1.2
253.36984	0.7
263.23734	3.4
267.15894	12.0
285.16962	38.9
286.17343	1.1
332.36563	0.7
332.93506	0.8
335.25836	1.9
337.27341	64.4
338.27673	3.4
365.10400	1.1
405.13626	4.4
467.18884	2.1
473.36273	1.0
489.36023	1.6
497.30753	0.8
519.29102	2.7
529.38806	14.1
530.39069	1.4
547.39886	100.0
548.40283	11.4
625.29968	0.8
629.23816	1.1
681.34607	3.7
691.43689	1.0
745.42316	1.2
898.24152	0.8
906.51172	15.1
907.46417	63.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.4657
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03956	0.3
67.05505	2.8
69.03429	4.3
69.07077	0.8
71.01367	0.7
71.05003	0.6
73.02918	4.9
79.05495	2.6
81.03416	2.4
81.07061	3.4
83.01339	0.3
83.04996	0.6
83.08629	0.7
85.02907	7.0
85.03426	0.4
86.03191	0.2
91.03957	4.5
91.04980	0.3
91.05464	1.8
93.07044	2.9
95.04992	0.6
95.08601	2.8
96.08981	0.2
97.02895	6.6
97.06522	0.2
97.10197	0.2
98.22556	0.4
99.04448	1.5
101.02378	1.9
103.03967	0.4
105.07044	0.9
107.08588	1.7
109.02876	1.1
109.06523	0.3
109.10147	1.0
115.03960	0.5
117.07051	0.4
119.08563	1.0
121.10135	1.1
123.08110	0.4
123.11735	0.3
127.03925	1.9
131.08606	0.7
133.10150	0.5
135.11717	1.1
145.04950	0.5
145.10170	0.5
147.11670	0.4
149.13237	0.4
154.73146	0.2
161.13316	0.2
163.11244	0.7
172.39610	0.2
173.13251	0.2
176.65717	0.2
185.04237	0.9
203.05269	0.6
215.97527	0.2
243.08401	2.1
248.63467	0.2
249.11124	0.5
259.08249	0.2
261.22150	0.3
283.15506	0.3
335.25897	0.7
347.09500	1.4
363.08875	0.3
365.10657	0.8
405.13660	5.2
405.18787	0.3
406.14148	0.4
438.36887	0.2
467.18866	3.0
468.19470	0.3
519.29266	3.8
520.30176	0.2
547.39453	0.3
548.40192	0.4
604.52362	0.2
629.24078	3.3
630.25269	0.3
681.34503	8.8
682.34485	0.9
745.41833	1.2
746.41547	0.3
907.46558	100.0
908.46887	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	907.4665
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03919	0.2
65.06329	0.2
67.05506	3.4
68.05854	0.4
69.03428	4.3
69.07079	0.9
71.01356	0.9
71.05002	0.9
72.76094	0.2
73.02917	4.8
75.04482	0.3
78.36320	0.2
79.05488	3.0
80.05846	0.2
81.03419	2.5
81.07059	3.9
83.01354	0.3
83.04986	0.7
83.08192	0.2
83.08614	1.1
85.02908	7.4
85.06558	0.2
87.04458	0.2
91.03957	4.2
91.05484	1.9
93.07043	3.1
94.07391	0.3
95.04978	0.7
95.08604	2.4
97.02893	6.7
97.06509	0.3
97.10165	0.2
99.04450	1.0
101.02372	2.5
101.02895	0.2
102.02777	0.2
102.73513	0.2
103.03964	0.3
105.07024	1.6
107.04980	0.6
107.08598	1.7
109.02892	1.2
109.06533	0.5
109.10147	1.0
111.08079	0.3
115.03976	0.6
117.07049	0.5
119.08578	1.4
121.10149	1.4
123.08083	0.5
127.03919	2.4
131.04565	0.2
131.08604	0.9
133.10071	0.4
135.11702	1.1
145.05037	0.6
145.10126	1.4
147.11655	0.5
149.13309	0.2
158.92104	0.2
163.11197	1.6
181.12248	0.3
185.04201	1.3
203.05269	0.9
209.11755	0.4
211.13324	0.3
243.08453	2.5
249.11093	0.5
261.22760	0.2
283.15475	0.5
284.15915	0.3
285.17017	0.4
286.17139	0.3
305.13779	0.4
335.25882	0.6
337.27509	0.8
347.09457	2.2
363.09314	0.6
365.10513	1.0
405.13705	5.9
405.18808	0.4
406.13953	0.5
421.13095	0.2
467.18887	6.5
468.19373	0.3
490.36069	0.3
519.29327	3.3
547.39624	0.5
548.40106	1.1
629.24146	7.1
630.24554	0.4
681.34418	4.2
682.34808	0.5
745.41394	1.9
907.46539	100.0
908.46912	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	907.4657
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03927	0.2
67.05503	3.4
69.03423	3.4
69.07073	0.9
71.01349	0.5
71.05001	0.5
73.02921	3.3
79.05491	2.6
81.03416	1.9
81.07055	3.5
82.07390	0.3
83.04976	0.3
83.08632	0.6
85.02900	5.8
85.06554	0.2
87.04476	0.4
91.03950	2.7
91.05478	1.5
93.07045	3.3
94.07379	0.2
95.04945	0.4
95.08604	2.8
96.08894	0.3
97.02894	5.6
97.06554	0.3
97.10159	0.3
97.69749	0.2
99.04456	1.1
100.56641	0.2
101.02391	1.4
103.03907	0.3
105.07034	1.1
107.04957	0.2
107.08595	1.8
108.08862	0.2
109.02895	0.6
109.06570	0.3
109.10179	0.9
115.03979	0.4
117.07053	0.6
119.08599	0.8
121.06528	0.2
121.10131	1.0
123.11802	0.2
127.03913	1.4
131.08557	0.6
133.10179	0.8
135.11690	1.7
145.04922	0.3
145.10170	0.8
147.11755	0.3
149.13310	0.4
159.11739	0.3
161.13263	0.4
163.11183	1.4
181.12314	0.2
185.04321	0.8
203.05322	0.9
215.40810	0.2
219.10022	0.2
227.12842	1.0
243.08417	2.2
243.16028	0.4
249.10973	5.9
250.11314	0.3
269.17154	0.2
272.14816	0.2
287.18707	0.4
305.13461	1.0
335.25970	0.7
336.26208	0.4
347.09460	1.4
363.09171	0.4
365.10675	0.6
405.13632	4.9
467.18912	5.0
468.19400	0.5
503.37680	0.3
504.37714	0.6
519.29333	5.7
520.29816	0.4
529.39020	0.3
546.38818	0.3
547.39331	0.3
548.40088	0.6
629.23987	2.3
649.85242	0.2
681.34485	7.9
682.34760	0.5
745.41010	1.6
746.41199	0.3
907.46503	100.0
908.46808	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	908.5565
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	1.5
67.05499	23.6
69.03440	3.4
69.07065	26.0
69.17303	1.1
69.17708	5.3
69.82974	0.6
71.04987	3.7
71.08627	3.0
73.02913	2.7
79.05487	20.8
81.03413	41.5
81.07056	28.9
83.04977	9.3
83.08613	28.1
85.02902	27.1
85.06535	2.9
85.10169	2.2
90.89019	0.7
91.03949	7.2
91.05471	19.9
93.07046	16.2
95.04964	18.7
95.08601	23.1
96.08910	0.8
97.02892	7.8
97.06522	4.6
97.10171	11.7
99.08086	2.2
104.92688	0.7
105.07027	14.2
107.04955	4.6
107.08585	9.2
109.06506	3.4
109.10152	9.2
111.04442	1.0
111.08088	7.1
111.11701	2.7
113.06010	1.7
113.09644	0.7
117.06994	0.9
119.08572	12.6
119.22514	0.6
121.06499	1.7
121.10130	11.9
123.08066	1.5
123.11708	3.2
124.01909	0.7
125.09637	1.9
127.03919	2.8
129.06989	7.4
131.08569	7.4
133.06509	2.3
133.10114	8.5
135.11679	4.8
135.72493	0.7
137.09596	1.8
137.13306	1.1
137.80997	0.8
139.11258	0.8
142.07806	2.0
145.04964	2.1
145.10056	1.4
147.08035	2.5
147.11676	11.5
149.09595	3.2
149.13293	1.7
151.11215	0.7
157.10126	9.0
157.24532	0.7
163.06049	2.4
163.11131	1.1
163.14870	1.0
165.12766	2.2
175.11168	9.3
181.92175	0.7
193.12225	28.2
194.12646	1.3
211.13278	49.8
212.13690	2.2
234.05330	0.7
248.51532	0.7
265.25241	1.5
267.15897	17.0
268.16449	1.1
285.16949	60.5
286.17227	3.6
339.28922	63.5
340.29333	4.9
531.40332	14.1
532.40857	2.2
542.99219	0.8
549.41473	100.0
550.41864	12.3
738.35547	1.7
908.48114	1.5
909.45416	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	909.4807
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	3.1
69.03429	3.2
69.07068	1.0
69.16696	3.5
71.01369	0.8
73.02920	4.1
79.05495	2.8
80.33733	0.4
81.03416	2.4
81.07063	2.8
83.08620	0.4
85.02897	6.3
91.03947	3.8
91.05489	1.4
93.07042	2.7
95.04963	0.8
95.08601	2.6
97.02890	6.5
99.04460	1.5
103.03975	0.5
105.07052	1.4
107.08614	1.4
109.02909	0.8
109.10169	0.7
115.03893	0.5
119.08604	0.6
121.10129	1.0
123.04425	0.6
123.11742	0.5
127.03934	1.5
131.08614	1.3
133.10181	0.8
135.11678	0.4
145.04973	0.6
145.10211	0.5
147.11728	0.4
185.04222	0.6
193.12160	0.5
203.05301	0.7
243.08498	1.8
309.05252	0.4
335.25674	0.5
347.09348	1.8
363.08917	0.7
365.10431	0.8
405.13681	4.9
417.38272	0.4
469.20361	3.0
471.12650	0.6
486.96497	0.4
519.29181	3.8
555.15930	0.5
631.25940	2.7
681.34436	8.3
682.34827	0.8
747.42584	1.2
909.48041	100.0
910.48322	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	909.4817
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	2.7
69.03435	4.0
69.07088	0.5
70.84187	0.3
70.84513	0.3
71.01357	0.7
71.05010	0.9
73.02917	5.1
73.69199	0.2
79.05490	2.5
81.03423	3.2
81.07056	2.6
83.04965	0.5
83.08652	0.7
85.02906	7.5
85.03419	0.4
87.04465	0.6
91.03962	3.4
91.05485	2.3
93.07043	2.5
95.04990	0.9
95.08617	1.6
97.02892	6.9
97.03484	0.4
97.06561	0.2
99.04465	1.1
103.03965	0.5
105.07058	1.4
106.52338	0.2
107.08615	1.0
109.02922	0.9
109.06531	0.5
109.10190	0.7
111.04502	0.3
111.08120	0.4
115.03940	0.6
117.07044	0.3
119.08590	1.1
121.10163	1.2
122.58566	0.2
123.11772	0.3
127.03919	1.8
129.05522	0.3
129.07062	0.6
131.08595	0.8
133.10179	0.8
135.11752	0.2
145.05020	0.3
147.11697	0.9
149.09674	0.3
157.10249	0.6
161.13423	0.2
175.11232	0.8
185.04309	1.0
193.12364	0.9
201.03801	0.3
203.05330	1.0
211.13387	0.3
243.08356	2.5
251.12654	0.8
254.00192	0.2
254.44794	0.2
259.07776	0.2
289.08966	0.2
307.15317	0.5
347.09476	2.4
347.12689	0.2
363.09067	0.6
365.10486	1.2
405.13654	5.2
406.14038	0.4
469.20493	6.5
470.20950	0.6
519.29517	3.0
520.29730	0.4
631.25653	7.7
632.26233	0.6
681.34576	4.5
747.43201	1.7
909.48108	100.0
910.48450	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	910.573
Annotation	Unknow
Peak:m/z	Relative Intensity
63.26067	1.1
64.75381	1.1
67.05503	14.3
69.02030	12.8
69.03417	3.3
69.07068	10.2
71.05006	3.9
71.08623	14.3
73.02903	2.4
73.04718	1.1
78.17516	1.0
79.05495	11.0
81.03416	29.8
81.07056	20.3
83.05006	6.5
83.08620	17.0
85.02900	19.3
85.10165	8.4
87.04480	1.4
91.03968	5.1
91.05475	15.6
93.07029	9.3
95.04965	12.9
95.08608	15.4
97.02899	5.8
97.06551	3.3
97.10153	5.4
98.23450	2.7
105.07020	12.1
107.04996	3.0
107.08594	5.5
109.06524	2.4
109.10139	7.2
111.08080	6.6
119.08585	9.7
121.10151	5.0
123.08118	1.6
123.11713	2.6
129.07004	5.8
131.08553	6.2
131.75008	1.5
133.10114	6.5
145.04944	1.3
147.08057	1.5
147.11673	9.0
149.09549	2.4
157.03151	1.2
157.10100	11.4
163.06078	2.7
165.12787	2.1
175.11157	8.8
193.12241	27.7
211.13284	44.9
212.13553	1.2
267.15985	13.8
285.16946	64.8
286.17303	2.3
341.30518	59.9
342.30774	2.5
533.41998	14.4
551.43060	100.0
552.43329	10.3
614.06958	1.3
826.54675	1.4
910.61615	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.4968
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03959	0.4
67.05505	3.0
69.03428	3.6
69.07078	0.7
71.05000	0.4
73.02912	3.3
73.03228	0.3
77.30113	0.2
77.53561	0.2
79.05500	2.1
80.45631	0.3
81.03404	2.3
81.07050	3.7
83.04986	0.4
83.08640	0.9
85.02903	6.6
85.06550	0.3
86.68040	0.3
87.04480	0.3
91.03962	2.8
91.05468	1.7
93.07064	1.3
95.04972	0.7
95.08603	1.4
97.02888	5.2
97.06547	0.5
97.10191	0.4
98.22513	0.6
99.04465	0.7
101.02379	1.6
103.03951	0.3
105.07008	1.3
107.04997	0.3
107.08638	0.8
109.02894	0.7
109.06548	0.4
109.10172	1.0
115.03973	0.5
119.08608	1.0
121.10149	1.0
123.11777	0.4
127.03912	1.4
129.99617	0.3
131.08620	0.7
133.10181	0.9
135.11746	0.7
138.28229	0.2
145.10187	0.4
147.11708	0.8
149.09711	0.4
149.13329	0.4
157.10123	0.7
159.11694	0.3
168.28674	0.3
175.11244	0.4
185.04320	1.0
193.12325	0.7
203.05370	0.5
211.13359	0.5
243.08411	1.9
251.12668	0.8
285.28665	0.3
307.15320	0.4
337.27255	0.3
347.09555	1.8
365.10678	0.6
405.13647	4.8
469.20462	6.1
470.20789	0.5
521.30988	3.1
522.31329	0.4
629.68207	0.3
631.25580	6.8
632.26001	0.6
681.34009	0.3
683.36121	3.5
740.37372	0.4
741.37744	1.2
749.44720	1.5
911.49561	100.0
912.50061	14.4
912.68353	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.497
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	5.0
69.03429	3.3
69.07069	2.4
69.33938	3.2
71.01364	0.9
71.04999	0.6
73.02920	4.2
79.05494	2.3
81.03419	3.6
81.07055	5.4
83.04995	0.5
83.08633	1.1
85.02901	8.2
91.03960	4.6
91.05482	2.6
93.07046	3.2
94.04514	0.4
95.04984	1.1
95.08607	5.8
97.02895	7.3
97.03473	0.6
97.10168	1.0
98.23302	0.7
99.04457	0.6
101.02409	1.9
105.07043	2.2
107.08603	2.5
107.09263	0.4
109.02882	0.9
109.10155	2.8
115.03965	0.7
119.08610	1.7
121.10128	2.7
123.08094	0.6
123.11759	0.9
127.03916	2.2
131.08604	1.1
133.10127	2.4
135.11711	1.9
137.13271	0.5
145.05058	0.5
145.10179	0.8
147.11740	1.3
149.13351	1.0
157.10193	0.9
159.11720	0.9
161.13348	1.5
163.14845	0.7
171.11761	1.3
173.13313	1.1
175.14844	0.6
177.16527	0.6
185.04311	1.2
185.13409	0.7
187.14819	0.6
189.16431	0.8
191.18050	1.2
201.16425	0.8
203.05345	1.0
203.17996	0.6
217.19655	0.5
243.08513	1.7
251.12689	0.9
259.07791	0.4
262.77496	0.4
305.08740	0.5
311.25961	0.6
337.37149	0.5
347.09531	2.1
365.10641	1.4
405.13681	5.1
453.21347	0.5
462.83832	0.4
467.20599	0.8
469.20358	3.5
521.30804	5.6
631.25745	2.9
632.24976	0.5
683.36023	7.9
683.46765	0.7
684.36407	0.7
723.38580	0.9
734.63550	0.4
741.37872	0.5
749.44897	2.1
789.62317	0.6
829.64545	0.7
847.66083	0.8
911.49585	100.0
912.49860	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	911.4972
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	4.5
68.71457	0.4
69.03429	4.2
69.07074	1.6
69.36353	0.7
69.36748	2.8
71.01347	0.9
71.05005	0.7
73.02918	5.2
79.05487	2.6
81.03412	3.0
81.07056	4.7
83.04980	0.8
83.08629	1.6
85.02903	6.8
91.03957	3.8
91.05471	2.1
93.07067	1.6
95.05005	1.0
95.08596	3.3
97.02888	6.1
99.04494	0.9
100.29648	0.4
101.02357	2.2
103.03925	0.5
105.07027	1.1
107.08613	1.4
109.02895	1.3
109.10179	1.6
115.03971	0.5
116.49083	0.4
117.07014	0.7
119.08601	1.2
121.10165	1.3
127.03970	1.1
131.08617	1.0
133.10136	1.5
135.11697	0.5
147.11786	0.8
157.10178	0.8
161.13232	0.6
185.04318	1.1
193.12285	0.9
201.03883	0.6
203.05313	0.9
243.08360	2.7
244.08578	0.5
252.93326	0.4
260.12372	0.4
307.15463	0.4
347.09396	2.2
365.10837	0.7
405.13672	4.5
469.20538	5.7
469.26633	0.7
470.20929	0.6
521.30823	3.2
631.25739	6.3
683.36346	3.9
723.39783	0.7
740.37842	0.8
741.38342	1.6
749.44116	1.4
752.48853	0.5
911.49548	100.0
912.49963	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	914.5676
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	15.9
69.03411	2.5
69.06101	4.9
69.07055	7.3
71.04966	2.0
71.08626	22.0
73.02891	1.5
79.05484	8.9
81.03411	65.7
81.07051	19.7
83.04980	3.4
83.08616	18.4
85.02896	6.3
85.06519	1.7
85.09709	0.8
85.10178	12.0
89.05975	1.0
91.03965	4.3
91.04948	0.9
91.05475	13.6
93.07043	5.4
95.04967	18.2
95.08593	16.3
96.08968	0.8
97.02885	4.7
97.06496	1.9
97.10158	4.9
99.11707	0.7
101.10619	0.6
103.07539	0.8
105.06347	0.8
105.07010	8.0
107.04939	4.8
107.08562	2.9
108.07658	0.6
109.06467	2.8
109.10142	8.9
111.04386	1.2
111.08063	4.6
111.11723	0.8
115.05353	0.9
117.06980	1.2
119.04923	1.1
119.07880	0.7
119.08583	8.6
121.06450	1.3
121.10129	4.8
123.04382	1.5
123.08032	2.2
123.11708	3.4
125.09643	0.9
127.03891	1.2
129.06976	6.3
131.04921	0.6
131.08565	6.6
133.06459	2.8
133.10121	4.5
135.11595	0.6
137.09596	1.5
137.13205	1.1
142.07729	1.8
145.04927	2.4
145.10081	0.7
147.04413	0.9
147.07996	2.9
147.11681	6.4
149.09607	4.0
157.10112	7.7
161.05934	0.8
163.06017	2.1
163.11215	1.2
165.12729	1.5
175.11179	7.1
185.13138	0.6
193.12228	21.8
193.13994	1.4
194.12549	1.8
205.12083	1.0
211.13194	1.2
224.09450	0.7
235.13222	2.0
239.23651	2.1
249.14859	1.7
257.24683	1.6
259.13242	1.2
267.15887	99.2
268.16208	3.7
273.14838	1.3
280.42886	0.6
291.41571	0.6
301.14319	2.9
309.16864	2.7
313.27335	100.0
314.27631	4.6
319.15192	0.9
505.38818	79.6
506.39096	9.0
547.39941	5.2
565.40277	1.0
601.40692	2.3
613.41028	2.0
631.41852	2.2
649.42786	1.3
914.51746	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	915.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	1.3
66.73260	0.8
67.01871	0.7
67.05487	1.4
67.19341	0.6
68.99783	10.2
69.50509	3.4
74.87218	0.7
77.03908	0.7
81.03413	4.2
83.04960	0.9
88.17926	0.6
89.03921	0.6
91.05449	0.9
93.03415	0.7
95.04954	2.4
97.28185	0.6
99.04439	0.9
105.03397	1.9
107.04984	1.8
109.02868	7.9
111.00788	12.2
111.04423	2.9
115.05442	1.0
119.04939	1.3
121.02868	2.5
121.06493	0.7
123.04418	18.1
127.03902	73.8
128.04283	1.3
131.04974	1.1
133.02843	5.7
135.04376	3.3
137.02357	1.1
137.05978	1.3
139.03889	100.0
140.04242	3.1
145.06476	0.9
147.04396	8.7
149.02312	5.4
149.06056	0.9
150.03137	1.5
151.03894	56.1
152.04263	1.9
153.01823	2.2
153.05438	1.1
155.03384	13.2
157.06494	1.4
159.04381	2.0
161.02353	1.3
161.05968	2.5
163.03896	10.7
165.05484	2.4
167.03389	2.6
169.04977	2.4
171.04395	2.7
173.05989	2.3
175.03886	10.6
176.04355	1.0
177.05475	7.2
179.03377	55.4
180.03723	2.0
181.04935	3.8
185.05956	1.8
187.03917	1.8
189.05423	5.6
191.03372	9.4
193.04953	3.3
197.05972	1.2
199.03957	5.4
201.05417	5.1
203.03368	23.7
204.03818	0.7
205.04945	2.8
211.03990	1.1
213.05417	7.1
215.03366	1.9
217.04933	9.8
219.02959	0.6
219.06520	2.2
221.04367	1.3
223.02359	2.5
225.05293	0.7
227.03287	1.6
229.04947	6.0
231.06546	2.7
233.04460	4.9
237.05421	0.9
241.04950	4.7
245.04437	86.6
246.04823	4.3
247.06035	3.0
253.04977	1.7
257.04428	19.3
258.05081	2.5
259.06015	4.9
263.05490	38.7
264.05740	1.5
269.04385	7.3
270.05148	0.7
271.05899	4.0
273.03906	0.8
275.05463	21.5
276.05801	1.3
277.07059	6.1
281.04514	2.6
283.05908	1.5
285.03992	1.6
287.05469	57.2
288.05771	3.1
289.07010	2.8
295.06055	1.7
297.03806	2.3
299.05447	15.5
300.05817	0.9
301.07162	0.9
305.06491	24.2
306.06906	1.0
307.08197	11.1
309.03900	1.4
311.05441	2.2
313.06891	0.8
317.06531	19.6
318.06824	1.3
321.03879	1.3
321.07455	2.2
323.05405	1.2
329.06516	2.3
336.42416	0.6
337.07162	0.7
339.05087	0.9
347.07761	0.9
349.07068	1.8
351.04898	2.8
361.06943	1.1
377.06528	1.5
381.05991	1.7
387.05267	0.8
393.06085	4.1
395.07562	2.2
399.06738	2.0
405.05951	6.1
406.06479	0.9
407.07309	1.2
413.08615	3.3
417.06009	1.4
423.07117	17.9
424.07248	1.8
425.08630	16.1
426.08823	1.6
431.09250	0.8
435.07101	3.9
437.08463	1.7
438.42780	0.7
441.08090	10.4
442.08405	1.3
443.09726	22.7
444.09912	1.9
447.06891	1.6
449.08435	1.1
453.08215	3.7
455.09375	1.3
465.07736	3.3
467.09442	2.3
483.09100	1.2
543.09039	1.4
549.10187	1.1
561.10004	3.1
567.11053	2.0
573.10040	1.7
585.10876	0.7
591.10120	0.9
603.10834	0.9
611.13501	1.4
690.80896	0.8
729.13580	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.5233
Annotation	Unknow
Peak:m/z	Relative Intensity
65.72215	0.3
67.05510	1.2
69.03439	2.9
69.07068	0.5
71.01360	0.4
71.05003	0.8
71.08633	0.9
73.02911	2.4
79.05511	1.1
81.03423	2.2
81.07038	1.6
83.08641	0.8
85.02902	4.3
85.10183	0.3
91.03966	2.3
91.05480	1.4
93.07062	1.1
95.05003	0.9
95.08603	1.4
97.02899	4.8
98.23341	0.6
99.04492	0.9
101.02384	1.7
103.03933	0.3
105.07058	0.9
107.08619	0.6
109.02880	0.6
109.06498	0.3
111.08058	0.5
111.42326	0.3
113.83265	0.3
119.08604	0.5
121.10178	1.0
127.03958	1.3
129.07016	0.4
131.08597	0.9
131.55183	0.3
147.11710	0.5
149.09712	0.6
157.10219	0.5
175.11208	0.5
185.04350	0.6
193.12358	0.8
203.05377	0.7
210.02441	0.3
239.23738	0.3
243.08342	1.4
244.66603	0.3
267.16003	0.5
267.61099	0.3
283.15158	1.9
311.34317	0.3
313.27557	0.7
339.17850	0.6
347.09439	2.2
365.10806	0.4
405.13708	4.6
464.27325	0.3
497.30847	3.5
501.23108	7.0
502.23492	0.7
659.36127	4.6
660.36560	0.4
663.28326	7.3
664.29199	0.6
752.88092	0.3
757.47046	1.7
917.25287	0.4
919.52289	100.0
920.52631	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	920.5209
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	3.1
67.05505	54.6
68.05823	0.7
69.03434	5.8
69.07069	11.7
69.10899	3.9
69.11312	2.4
70.01958	0.7
70.04220	0.6
71.01344	0.8
71.04967	3.3
73.02914	7.7
79.05492	45.3
80.06273	1.4
81.03414	15.4
81.07056	54.2
82.04213	3.3
83.04520	1.2
83.04979	11.5
83.08620	14.4
84.05706	1.0
85.02905	18.7
85.06554	2.4
91.03961	8.0
91.05477	32.5
92.06300	0.7
93.07043	39.8
94.07359	1.1
95.04969	13.6
95.08607	35.9
96.05740	0.8
97.02897	10.3
97.06529	6.5
97.10168	13.3
98.07324	4.7
99.04444	0.8
99.08082	1.6
101.06037	1.5
104.06238	0.7
105.07033	24.0
105.07732	1.2
107.04978	3.9
107.08595	26.6
109.02904	0.9
109.06516	4.3
109.10155	16.7
111.04462	1.7
111.08092	5.0
113.06035	0.9
115.05454	1.1
116.04712	14.6
117.07027	8.1
119.08587	17.8
121.06497	2.0
121.10146	18.3
123.08064	6.0
123.11694	4.4
125.09630	14.7
126.10388	0.8
127.03910	2.5
129.05479	36.0
129.06929	5.4
130.07759	0.7
131.08575	14.6
133.06487	1.0
133.10126	15.8
135.08028	2.2
135.11684	14.7
137.09628	3.8
137.13248	1.3
139.11176	1.5
143.07027	10.0
143.08566	1.7
145.04939	4.2
145.10167	7.6
147.08049	1.0
147.11671	11.9
148.12486	0.8
149.09607	3.1
149.13258	6.8
151.11140	1.0
153.09175	1.3
153.12730	2.0
155.08551	1.2
157.08603	17.6
157.10118	6.9
159.11708	5.1
160.12265	0.7
161.13301	4.5
163.06004	3.8
163.11153	4.5
163.14845	2.5
165.12703	1.8
171.06357	1.1
171.10165	5.7
171.11678	2.5
173.09650	0.7
173.11815	1.5
173.13271	4.5
175.11185	4.6
175.14784	1.7
177.12720	0.8
177.16338	0.9
177.40999	0.7
181.12276	1.4
183.11783	0.9
185.11740	1.3
185.13266	2.0
187.14824	2.8
189.11221	8.3
189.12782	1.0
189.16400	1.2
193.12225	9.2
195.11601	0.8
199.13252	5.2
199.14838	1.2
200.14037	2.9
209.11717	1.9
210.12531	0.7
211.13213	6.7
213.14790	1.1
219.13852	0.8
227.12776	11.1
228.13474	0.8
229.14299	2.2
243.21028	3.3
251.19930	0.8
255.15906	0.9
259.20572	2.3
261.22141	8.5
267.15808	4.5
277.21640	3.8
283.15399	3.4
285.16821	3.3
289.53732	0.7
291.22757	0.7
299.23770	0.9
301.16449	100.0
302.16782	2.4
315.23181	1.6
317.24683	1.9
335.25784	59.0
336.26025	2.4
351.25345	2.4
389.27231	1.0
435.32358	1.0
456.46786	0.8
527.37476	4.6
543.36328	1.0
544.37561	1.3
545.38409	1.8
561.37830	47.2
562.38300	3.8
562.46112	0.7
579.38873	1.6
740.04083	0.8
921.49103	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5208
Annotation	Unknow
Peak:m/z	Relative Intensity
64.41381	0.8
65.03929	2.2
66.56773	0.7
66.85152	0.7
67.05505	58.4
69.03425	5.9
69.07068	15.5
69.28529	3.2
69.28948	2.6
71.01365	0.9
71.05003	4.0
73.02916	6.9
73.08995	0.7
75.03587	0.7
77.03930	1.0
79.05492	50.3
80.05811	0.8
80.06260	1.3
81.03419	14.7
81.07056	58.5
82.04211	3.3
82.07417	0.9
83.04983	11.1
83.08620	14.9
85.02902	18.5
85.06535	2.1
87.04443	1.0
91.03966	9.5
91.05476	33.8
93.07044	46.7
94.07856	1.2
95.04964	14.2
95.08605	38.8
97.02890	10.9
97.06521	6.9
97.10168	13.5
98.07314	4.2
99.04472	2.0
99.08099	2.1
101.06033	0.9
103.03996	1.0
103.05458	1.3
105.04540	1.0
105.07030	20.1
107.04966	4.6
107.08590	30.8
109.02868	1.4
109.06520	3.3
109.10152	21.9
111.04459	1.1
111.08075	5.6
111.94424	0.8
113.09630	0.8
115.33360	0.8
116.04709	10.3
117.05528	0.9
117.07013	9.3
119.08582	18.0
121.06503	1.9
121.10146	24.2
123.08068	5.0
123.11677	4.8
125.06038	0.9
125.09625	12.3
127.03922	3.8
127.11200	2.4
128.06186	0.9
129.05476	25.2
129.06926	5.4
129.24103	0.8
130.07838	0.8
131.07655	1.5
131.08574	17.2
133.10126	17.6
134.10960	0.8
135.08101	2.7
135.11710	15.3
137.09598	3.5
137.13264	1.1
142.07846	0.9
143.07010	5.7
143.08516	1.8
145.04965	2.6
145.10139	10.3
146.10883	1.7
147.08075	1.8
147.11684	11.7
147.12744	1.3
149.09624	2.5
149.13251	8.7
151.11169	2.5
151.14796	1.0
153.09126	1.2
155.08524	0.8
155.10715	1.3
157.08612	13.5
157.10126	6.5
159.11671	7.2
161.09674	1.0
161.13252	5.5
163.05995	3.3
163.11166	5.1
163.14827	2.9
165.12769	2.5
171.06548	1.0
171.10172	5.8
171.11713	2.4
173.11845	1.8
173.13284	6.7
175.11200	4.1
175.14833	3.1
177.12856	1.2
177.16382	0.9
181.12251	1.3
185.11740	2.0
185.13307	2.0
187.14799	3.6
189.11176	5.9
189.12686	1.2
189.16493	1.0
191.10649	1.1
193.12227	9.9
195.13637	0.8
197.13205	1.3
199.13274	3.3
199.14905	1.3
200.14157	1.6
201.16399	1.5
209.11736	2.5
210.12425	1.3
211.13260	6.3
215.17830	0.9
217.14352	1.0
227.12764	10.8
228.13310	1.1
229.14374	3.0
233.22693	1.1
241.19534	1.0
243.21019	4.2
247.16902	0.9
255.16057	1.0
259.20575	3.5
261.22119	13.7
267.15826	5.7
268.16379	0.9
277.21683	5.9
279.23199	1.1
283.15414	5.3
285.17047	2.5
301.16458	63.9
302.16733	3.7
315.23123	1.9
317.24844	2.4
327.23450	0.9
333.24420	1.6
335.25797	86.0
336.26160	5.1
351.25330	2.1
389.26810	1.2
487.34421	1.1
525.35333	1.0
527.37561	7.6
528.37891	1.1
543.36780	6.5
544.37274	0.9
545.38007	2.2
561.37842	100.0
562.38098	10.9
579.38995	1.2
737.98407	0.8
921.45392	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5571
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	2.4
65.22814	0.5
67.05504	61.8
68.05818	1.1
69.03426	3.2
69.07066	10.9
71.04993	16.5
71.08601	0.4
71.31281	0.5
73.02922	2.6
73.06552	0.7
75.83971	0.4
77.03931	0.5
79.05491	34.1
80.05820	0.5
81.03442	2.4
81.07055	91.7
82.07404	1.9
83.04980	4.3
83.08614	6.4
84.44482	0.4
85.02900	10.5
85.06538	6.7
87.10667	0.5
91.03954	6.0
91.05479	27.0
93.07043	37.6
94.07385	0.6
95.04964	3.2
95.08603	27.7
96.08946	1.0
96.39367	0.4
97.02891	5.6
97.06535	5.0
97.10164	1.8
99.04466	1.3
99.08105	1.5
103.05493	0.6
105.04529	0.7
105.07030	16.6
106.07381	0.6
107.08591	20.5
109.02869	0.8
109.06526	2.1
109.10151	13.4
111.08068	1.5
111.11736	0.4
113.09666	0.6
115.05461	0.7
117.07021	5.2
119.08572	9.6
121.06505	0.6
121.10144	17.1
122.10480	0.6
123.08061	1.2
123.11707	14.5
124.11980	0.5
125.09654	0.7
127.03912	2.3
129.05522	0.4
129.06981	0.8
131.08566	8.2
133.10127	18.6
134.10493	0.5
135.08118	0.7
135.11682	10.9
137.09587	0.8
137.13284	0.5
139.11198	0.9
143.08583	0.8
145.04979	2.4
145.10101	4.8
147.11676	4.7
149.13245	6.7
151.11177	7.1
153.12836	0.7
157.10071	0.8
159.11693	6.0
161.13217	2.7
163.06015	1.9
163.14801	1.0
169.12218	1.1
171.11710	0.9
173.04539	0.7
173.11934	0.7
173.13217	3.0
175.14801	1.6
177.12685	2.6
179.14377	0.9
183.11676	0.5
183.13858	2.2
185.13182	0.6
187.13315	3.6
187.14873	1.4
189.16472	0.7
195.13748	1.1
199.14746	0.6
201.14828	1.1
201.16490	0.6
227.16467	2.0
229.14359	0.6
243.16089	0.9
243.21121	1.2
257.17422	1.1
259.20639	0.9
261.22076	2.4
269.17462	5.7
283.18878	0.7
301.16666	0.6
301.20084	10.9
302.20245	0.7
317.24637	0.8
321.99557	0.5
333.24008	0.6
335.25781	25.3
336.26138	1.3
361.27332	0.5
363.25354	0.9
411.32687	0.8
437.34079	1.0
445.24084	0.5
485.36230	3.3
503.37305	79.5
504.37659	8.2
511.38065	0.6
517.38892	3.8
518.39032	0.4
529.38959	14.1
530.39050	1.4
547.39368	0.8
561.41486	100.0
562.41821	12.2
656.79224	0.5
673.42957	0.5
705.45441	0.9
742.24341	0.5
831.46973	3.1
921.52148	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5573
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	2.2
67.05505	62.6
68.05826	1.0
69.03433	3.0
69.07066	10.6
71.04994	19.6
71.31306	0.8
73.02911	2.6
79.05492	34.4
81.03413	2.9
81.07056	88.9
82.07385	1.5
83.04981	5.0
83.08622	9.4
85.02905	11.1
85.06547	8.9
87.04465	0.9
91.03960	6.6
91.05479	30.1
92.05805	0.7
93.07041	38.9
94.07358	0.8
95.04959	3.3
95.08604	29.3
96.08911	1.0
97.02890	5.5
97.06517	4.8
97.10152	3.1
99.04471	1.1
99.08092	1.3
105.04579	0.8
105.07025	15.7
107.08589	22.2
108.08904	0.8
109.06519	2.9
109.10148	14.6
111.08093	2.0
115.03908	0.6
117.07023	6.3
119.08591	10.7
121.10147	15.9
123.08071	1.1
123.11703	13.7
125.09630	2.5
127.03915	2.1
129.05515	0.7
129.07002	1.0
131.08559	10.2
133.10129	17.8
135.08034	0.9
135.11693	11.5
137.09595	1.0
139.11197	1.0
141.06972	0.5
143.08585	1.3
145.04948	3.7
145.10112	4.9
147.11687	5.8
149.13239	7.6
151.11182	6.6
153.12759	1.0
155.08501	0.6
157.10141	1.4
159.11691	7.1
161.13257	4.1
163.06020	2.4
163.11186	0.9
163.14880	1.3
169.12238	0.9
171.11742	0.7
173.11877	1.1
173.13264	2.9
175.14867	1.3
177.12807	2.2
179.14288	0.9
183.13763	2.7
185.13284	1.4
187.13298	4.8
187.14893	1.6
193.12061	0.6
195.12080	0.7
195.13846	1.7
201.14861	1.2
211.13370	0.6
213.14751	0.6
217.15858	0.7
227.16374	3.3
229.14407	2.3
241.19556	1.0
243.15997	0.7
243.21097	0.9
253.17896	0.8
257.17526	2.1
259.20770	1.0
261.22113	3.0
269.17389	6.1
275.20316	0.6
283.15634	0.7
285.16861	0.9
301.20074	21.5
302.20355	0.8
303.23035	0.7
317.24625	1.4
335.25800	20.6
336.26160	1.7
393.31564	1.5
399.23987	0.8
411.32574	1.9
419.32932	0.9
437.34058	2.6
485.36411	4.9
503.37292	87.3
504.37576	9.2
511.37787	2.0
517.38739	5.6
529.38867	26.8
530.39233	2.8
547.39929	1.2
561.41479	100.0
562.33209	0.4
562.41766	13.4
649.76532	0.6
673.43262	0.7
705.45551	0.9
831.46912	0.7
920.46075	3.9
921.49164	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.4527
Annotation	Unknow
Peak:m/z	Relative Intensity
66.57497	0.4
67.05504	0.8
69.03445	0.8
69.07076	0.5
73.02937	0.6
78.34659	0.3
79.05521	0.5
81.03436	0.8
81.07074	1.3
85.02904	0.7
91.03966	1.0
93.07041	0.8
94.43715	0.4
95.08593	0.9
95.33640	0.4
97.02925	1.4
98.23325	1.2
109.93954	0.4
110.06583	0.4
127.03884	0.4
405.13980	0.8
519.29346	0.9
534.39905	0.5
641.50085	0.5
647.24646	1.1
681.34467	1.2
697.31934	1.4
755.41431	0.9
763.41583	0.5
907.46820	0.9
925.45758	100.0
926.46094	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	925.4796
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	2.8
69.03423	3.7
69.07061	0.7
71.05003	1.0
73.02912	4.8
79.05494	3.2
81.03415	2.4
81.07054	3.4
82.96902	0.4
83.01118	0.6
83.04982	0.5
83.08626	0.9
85.02901	7.0
87.04504	0.5
91.03955	4.6
91.05492	1.7
93.07050	3.0
95.01099	0.6
95.08596	2.5
97.02899	6.9
99.04462	1.3
101.02392	1.8
103.03946	0.8
105.07056	0.9
107.08607	1.3
109.02895	0.8
109.10159	1.2
111.04324	0.4
111.08076	0.5
115.03977	0.5
117.07154	0.4
119.08588	1.4
120.54095	0.4
121.10164	0.7
123.04179	0.5
123.11652	0.4
125.02134	0.6
127.03905	2.8
129.05508	1.3
131.08604	0.6
133.10147	0.6
135.11713	1.0
139.61499	0.4
141.05299	0.4
145.04955	0.8
159.11771	0.5
173.13359	0.4
185.04170	3.5
201.03690	3.5
203.05264	2.4
241.06841	0.5
243.08521	2.1
257.06412	1.3
259.07950	1.6
261.22385	0.5
267.15979	0.7
271.07965	0.6
275.07495	0.6
301.08954	3.7
315.10565	1.2
319.10117	1.9
327.10623	0.7
329.08493	1.3
335.25937	1.4
341.11700	0.5
347.09476	17.7
348.09912	0.6
355.13785	0.9
359.09482	0.9
363.08951	9.3
365.10648	1.9
369.15137	0.8
373.11179	0.6
383.16861	0.8
385.18472	1.8
405.13663	9.1
423.19635	0.6
463.14243	9.8
464.14548	0.5
467.18842	0.5
469.20233	0.8
477.15778	3.3
479.14124	0.8
489.15866	0.9
489.23932	0.7
491.17426	0.6
503.17773	1.0
505.19284	0.7
509.23755	0.5
517.18823	0.9
519.20874	1.3
519.29449	6.4
520.29572	0.5
531.20245	1.4
533.22174	2.0
535.16327	5.0
545.22064	1.1
547.23431	6.6
549.18292	1.2
563.19043	0.6
573.25214	0.5
577.20990	1.0
577.29688	0.9
579.31281	0.8
585.25256	0.5
591.22974	1.5
591.30670	0.8
607.31201	1.0
619.25775	1.7
631.25800	2.5
632.26770	0.5
645.27905	0.9
645.39252	0.8
647.24097	0.7
651.30035	0.6
657.27142	0.7
659.28754	0.6
671.28467	2.4
672.29443	0.9
675.32141	0.8
681.22870	0.8
681.34509	14.9
682.35046	1.4
685.30298	1.4
691.39966	1.1
711.31995	1.0
725.33289	0.8
740.35876	9.5
741.35876	1.1
753.36444	5.6
754.37195	0.7
755.38617	1.0
756.39001	0.6
767.38733	2.1
769.39520	0.8
772.35223	0.9
781.39783	2.8
782.40039	0.6
795.41327	1.4
796.41779	0.6
809.41443	1.2
823.44287	6.8
824.45209	5.6
837.45764	0.7
841.45172	1.2
863.47656	1.5
865.45630	1.3
879.46716	1.1
880.48450	0.6
907.46576	3.9
908.46777	1.4
925.47070	100.0
926.47485	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	925.4767
Annotation	Unknow
Peak:m/z	Relative Intensity
64.72498	0.5
65.29568	0.5
67.05499	3.1
69.03426	4.6
69.07089	1.3
69.81808	0.5
69.98701	2.5
71.01352	0.9
71.04991	0.9
73.02921	5.6
79.05504	2.3
79.79649	0.5
81.03416	2.5
81.07056	3.0
83.01117	0.8
83.05000	0.7
83.08629	0.7
85.02911	7.7
87.04464	1.2
91.03960	5.4
91.05491	2.1
93.07027	2.8
93.73629	0.6
94.71706	0.5
95.01114	1.1
95.08604	3.2
97.02902	7.5
97.06549	1.2
99.04481	1.9
100.61320	0.5
101.02397	2.4
102.28230	0.7
105.07075	1.2
107.08594	2.7
109.02882	1.2
109.10159	1.5
114.02895	0.7
114.43884	0.5
115.03973	1.5
117.05590	0.7
119.08644	1.1
121.10163	1.6
125.02149	1.0
127.03898	3.0
129.05472	1.5
131.08604	1.4
133.10168	0.8
135.11748	1.1
139.03748	0.7
141.05281	1.2
145.04984	1.2
145.10175	0.7
146.30437	0.6
147.11700	0.6
157.04761	1.2
158.73431	0.5
160.81677	0.6
169.04753	1.5
185.04190	5.4
201.03706	4.9
203.05215	2.9
243.08331	2.7
245.06509	0.6
257.06274	2.8
259.08017	1.9
261.22241	0.6
275.07516	0.9
285.09607	0.7
300.66724	0.6
301.08945	8.8
301.11807	0.7
315.10574	2.0
319.09875	3.0
327.10602	0.8
329.08405	2.8
335.25861	1.1
341.12039	1.0
343.13553	0.7
347.09479	17.7
348.09946	0.7
355.13470	0.8
357.15417	0.9
359.09717	0.8
361.10883	0.6
363.08981	9.1
365.10751	2.9
369.14883	0.8
373.11356	1.0
383.16916	2.1
385.18268	4.2
405.13654	11.7
421.13217	0.7
423.20349	0.6
429.17636	0.9
441.20499	0.6
463.14191	17.4
464.14728	0.9
469.20404	1.0
475.14505	1.1
477.15891	5.1
489.16156	0.9
503.17447	1.3
505.19312	0.9
517.19141	1.6
518.55048	0.7
519.20740	1.7
519.29456	7.6
531.20551	1.1
533.22485	1.1
535.16425	6.9
535.28943	1.2
545.22101	2.5
547.23370	10.3
549.17963	0.9
577.21387	1.2
577.30060	2.0
579.31439	1.0
585.25195	0.7
591.22577	2.7
591.31335	1.1
592.22064	0.8
603.26465	1.0
605.24963	0.8
607.30621	1.1
619.25842	1.4
619.34808	1.0
629.23981	0.9
631.25507	2.8
645.27454	0.8
645.39941	1.4
647.25226	1.1
661.39417	0.9
671.28906	1.6
675.31677	1.9
681.34491	17.8
682.34888	1.8
685.30487	1.7
691.40271	1.2
697.33508	2.0
711.32031	1.0
725.33539	1.4
739.35040	0.8
740.35822	11.3
741.36694	1.0
753.36731	8.1
755.36707	1.0
767.38544	2.7
772.35394	0.8
781.39746	4.3
795.41119	2.4
809.41522	1.2
823.44641	9.0
824.45190	6.0
825.45239	0.9
837.45837	1.0
841.45282	1.1
863.47516	2.0
865.45483	1.3
879.46875	2.5
880.47095	0.7
907.46820	4.2
908.47662	1.8
925.47437	100.0
926.47809	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	925.4791
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	3.5
69.03435	4.2
69.07082	1.0
70.49693	0.5
71.04999	0.6
73.02924	4.1
79.05492	3.6
81.03439	1.8
81.07059	3.8
83.01102	1.0
83.05002	0.8
85.02906	8.8
91.03967	4.5
91.05499	2.0
93.07056	3.9
95.08614	2.7
97.02907	8.1
97.03489	0.7
99.04479	1.9
101.02351	2.6
103.03969	0.7
105.07047	1.4
107.04902	0.5
107.08598	1.1
109.02880	1.7
109.10198	1.8
113.02316	0.5
115.03962	0.8
117.07055	0.5
119.08668	0.7
121.06490	0.6
121.10196	1.4
123.04237	0.5
127.03910	2.8
129.05486	1.3
131.08600	1.1
133.10141	1.0
135.11813	0.7
137.35997	0.4
139.03589	0.5
145.04977	1.1
145.10130	0.8
147.11737	0.5
168.43132	0.5
169.04794	0.8
185.04208	3.1
201.03693	3.2
203.05362	2.1
224.75491	0.5
243.08260	2.5
245.06375	0.6
257.06461	1.8
259.08023	1.7
278.23367	0.5
301.08969	5.7
315.10544	1.7
319.09906	2.4
329.08585	1.7
335.25922	1.3
341.12534	0.6
347.09491	17.8
348.10083	0.6
355.13553	0.7
363.09012	10.9
365.10754	1.6
369.15158	0.6
373.11252	1.0
385.18567	2.1
405.13721	9.7
405.18866	0.9
463.14194	10.3
477.15762	3.4
479.13943	0.7
503.17502	1.2
517.19305	1.2
517.27631	0.5
519.21149	1.4
519.29193	7.5
531.20581	2.0
533.22314	2.0
535.16229	4.7
545.22290	1.3
547.23431	6.4
549.18024	0.7
577.21155	0.9
577.29785	0.8
579.31445	1.0
585.25354	0.7
591.22809	2.2
591.31158	0.7
607.30920	0.7
611.26538	1.0
619.25641	1.1
631.25916	3.3
632.26251	0.9
645.27521	0.7
651.29962	0.9
671.29016	1.9
675.31073	1.0
681.34503	17.9
682.34961	1.6
685.30505	1.9
691.40112	1.5
697.32019	0.8
711.32092	1.2
725.34186	0.8
729.36713	0.8
740.35907	9.8
741.36102	1.2
753.36829	6.7
755.38623	0.7
767.37933	2.2
769.39716	1.0
772.35260	0.8
781.39459	2.9
782.41913	0.6
795.41339	2.0
807.45648	0.7
809.42194	1.0
823.44489	7.4
824.45300	6.9
825.45856	0.8
837.45972	1.4
841.45007	0.8
863.47144	1.4
865.45221	1.3
879.46771	2.2
880.48853	0.7
907.46857	4.8
908.47235	2.3
925.47144	100.0
926.47333	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	926.5825
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	4.0
67.05504	98.6
69.03406	5.6
69.06710	1.9
69.07068	22.9
69.41941	3.2
69.42344	7.5
71.04982	3.9
73.02917	6.6
79.05492	76.1
80.05819	1.4
81.03399	4.8
81.07054	100.0
82.07398	1.5
83.04972	3.4
83.08623	12.1
85.02410	1.9
85.02901	27.0
85.06548	6.6
87.04453	2.0
91.03957	20.5
91.05475	47.5
93.07041	88.5
94.07356	1.8
95.04965	7.4
95.08601	82.5
96.04504	1.6
96.08888	1.5
97.02889	18.0
97.06515	6.1
97.10150	6.0
98.23357	2.5
99.04439	2.4
99.08077	4.9
103.05464	1.8
105.04501	2.5
105.07030	37.8
107.08590	39.0
109.06506	2.5
109.10150	36.1
111.08083	4.1
115.03947	1.8
117.07014	14.9
119.07745	2.6
119.08574	32.8
121.10142	48.4
122.10471	2.0
123.08031	2.5
123.11710	15.2
125.09615	2.5
127.03912	9.0
128.06290	1.3
129.06978	4.0
131.08557	27.2
133.10129	32.3
133.70966	1.3
134.10413	1.6
135.08038	1.6
135.11691	35.8
136.11987	1.3
137.09637	1.5
137.13252	5.1
139.11163	3.5
143.08540	6.0
145.04951	12.9
145.10120	22.2
147.11674	19.6
149.09613	3.4
149.13245	20.3
151.14754	1.6
155.08502	1.7
157.10107	6.1
159.11697	16.4
161.13232	12.5
163.06006	13.1
163.11185	2.3
163.14792	5.8
165.12714	1.4
171.11620	8.9
173.13231	15.4
175.14845	6.0
177.12833	1.3
177.16411	2.3
183.11720	2.3
185.13219	4.7
187.14801	7.5
189.16379	4.5
191.14236	1.5
199.14865	2.9
201.16373	5.3
203.17975	2.8
205.19592	2.1
211.14775	1.9
213.16388	10.4
215.17940	23.5
217.19514	3.5
219.17461	1.5
231.17509	9.7
231.21077	1.4
233.18990	19.6
241.19487	4.4
243.21025	6.6
250.63760	1.4
257.18875	2.1
259.20480	6.5
261.22183	19.1
263.23648	1.5
279.23175	1.8
305.21024	4.7
307.22678	86.4
308.23047	3.2
309.24219	7.9
317.24826	3.1
333.24124	6.7
335.25781	87.6
336.25977	4.5
337.27216	9.8
392.75568	1.6
423.32379	1.8
487.38132	1.9
493.40311	5.0
496.84000	1.4
500.18140	1.5
567.35321	2.0
567.43970	24.7
568.44434	2.7
585.45093	26.6
586.45477	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	927.492
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03924	0.4
67.05502	3.2
69.03432	3.8
69.07077	1.0
71.01382	0.6
71.04997	1.0
71.31639	0.4
73.02913	4.6
79.05487	3.4
81.03419	3.2
81.07043	3.2
81.72775	0.3
83.05006	0.7
83.08624	0.5
85.02905	6.4
87.04509	0.4
91.03953	3.5
91.05478	2.2
93.07048	3.4
95.04996	1.2
95.08607	2.6
96.08964	0.3
97.02891	6.3
97.03471	0.3
97.06533	0.3
99.04471	1.0
101.02368	1.8
105.07052	1.3
107.04972	0.3
107.08590	1.7
109.02889	0.8
109.06554	0.4
109.10189	1.1
111.08093	0.3
115.03952	0.7
115.05470	0.3
119.08629	0.9
121.10120	2.2
123.08116	0.4
123.11714	0.4
127.03887	1.9
131.08636	1.0
133.10162	1.1
135.11716	0.5
139.11198	0.6
145.05026	0.3
145.10133	0.5
147.11769	0.6
149.09633	0.6
153.01897	0.4
157.10167	0.4
161.13290	0.3
167.10786	0.3
175.11249	0.4
185.04330	1.1
193.12267	0.7
203.05357	0.8
225.10966	0.5
243.08382	2.2
245.06516	0.3
251.12636	0.4
269.13773	0.9
335.26004	0.3
340.19308	0.3
347.09500	2.6
363.09161	0.4
365.10571	0.7
405.13678	6.4
406.14249	0.7
413.18274	0.4
437.64539	0.3
443.18903	5.0
444.19669	0.3
469.20767	1.2
487.21472	2.7
497.64740	0.3
519.29279	4.8
587.23450	0.3
605.24335	3.0
618.67047	0.3
631.26080	0.8
649.26788	4.8
650.27423	0.5
681.34521	6.1
681.45325	0.4
682.35004	0.6
721.41254	1.1
739.38000	0.7
765.43994	0.9
883.47375	1.4
909.47870	1.9
927.49091	100.0
928.49463	15.6
928.68390	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	928.5987
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	4.9
67.05504	94.4
69.07070	19.2
71.31642	7.9
71.32008	6.1
73.02913	6.5
79.05490	47.7
81.07057	100.0
83.04961	4.8
83.08621	13.7
85.02908	18.4
91.03963	15.3
91.05488	34.3
93.07033	51.9
95.08596	62.8
97.02903	14.9
97.06550	6.4
105.07030	19.6
107.08614	26.7
109.10157	25.9
117.07037	8.0
119.08601	15.9
121.10108	29.4
123.11708	16.6
127.03923	7.5
131.08571	14.1
133.10182	25.5
134.17856	4.3
135.11708	22.3
137.13229	7.2
145.04970	9.3
145.10141	7.7
147.11610	9.6
149.13268	14.6
152.61952	4.8
159.11687	14.6
161.13278	8.0
163.05978	10.6
171.11630	5.5
173.13359	7.7
175.14836	5.9
215.17917	5.0
217.19508	11.0
233.19092	5.2
235.20755	6.1
243.21085	8.5
261.22168	14.7
309.24200	77.2
333.24347	6.8
335.25827	83.0
337.27423	10.9
374.53342	5.1
413.00049	5.6
420.94891	5.1
569.45575	31.1
587.46588	29.9
890.94183	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	930.614
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	73.8
69.07071	48.1
69.09015	32.4
69.09425	8.0
70.12103	4.2
70.46470	3.9
71.08630	5.8
73.02924	8.1
73.93567	4.7
79.05499	39.1
81.07058	100.0
83.08617	24.2
85.02889	21.7
91.03945	18.5
91.04935	5.0
91.05445	22.3
93.07044	43.3
95.08613	73.6
97.02888	5.8
97.06525	10.0
97.10139	10.9
105.07022	19.7
107.08587	23.3
109.10155	32.0
117.07003	7.3
119.08599	8.3
121.10136	17.4
123.11711	17.3
127.03942	6.7
131.08510	9.9
133.10123	15.4
135.11700	15.4
137.13249	9.2
142.82677	4.9
145.10046	4.8
147.11670	9.4
149.13257	11.5
159.11752	5.7
161.13280	8.1
163.14838	7.1
170.84216	4.0
173.13252	4.8
217.19489	5.9
235.20476	6.1
261.22089	14.9
309.24210	54.3
311.25769	41.8
335.25827	31.8
337.27313	61.3
480.41150	4.6
491.25714	4.4
571.47144	48.6
572.47675	6.0
589.48315	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.6295
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	2.1
67.05505	37.0
69.03426	2.1
69.07069	12.2
69.07401	0.7
69.07681	2.8
69.08109	3.1
71.04992	1.1
71.08632	19.0
73.02924	5.5
79.05493	20.2
81.03406	0.9
81.07055	40.3
82.07342	0.6
83.04982	1.2
83.08618	9.9
85.02408	1.1
85.02906	17.0
85.06538	1.5
85.10181	11.1
86.81435	0.6
89.06027	1.3
91.03956	9.5
91.05476	11.8
93.07045	25.8
95.04935	1.5
95.08605	36.1
96.04509	0.7
96.08937	1.2
97.02888	9.1
97.06554	1.0
97.10139	5.0
99.04440	1.5
103.07576	0.9
105.04501	0.9
105.07042	8.4
107.08592	13.8
107.09275	1.2
109.06519	0.8
109.10152	18.2
109.27383	0.6
111.08102	0.9
111.11728	1.2
117.07021	3.4
119.08570	7.3
121.10134	13.6
123.11706	7.5
125.13172	0.7
127.03926	4.6
129.05511	0.9
131.08565	6.7
133.10120	6.0
135.11708	9.7
137.13257	1.9
145.04951	5.6
145.10124	4.6
147.11671	5.5
149.13261	6.1
151.11191	0.7
151.14867	1.2
159.11696	5.6
161.13216	3.4
163.05998	6.3
163.14865	3.6
173.13274	5.0
175.14827	1.7
177.16394	1.8
180.08676	0.9
187.14818	1.5
201.16310	0.9
233.22643	1.2
239.23650	4.0
243.21080	8.6
257.24728	2.2
259.20587	0.7
261.22141	35.4
262.22574	2.0
279.23203	1.4
299.23969	0.8
313.27350	100.0
314.27689	5.3
317.24686	5.5
318.24997	0.7
335.25793	77.6
336.26038	4.2
336.60565	0.6
353.27103	0.9
366.30719	0.6
415.26450	0.7
475.84900	0.7
499.45099	1.4
573.48755	37.7
574.48859	4.6
591.49677	6.7
706.52039	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	934.4994
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	3.5
67.05501	52.5
69.03423	11.8
69.06709	2.0
69.07064	30.4
71.04973	6.2
71.32761	1.8
71.38979	1.2
72.02726	1.0
73.02901	3.1
77.03907	1.4
79.05489	49.5
81.03413	55.0
81.07053	60.0
83.01331	1.9
83.04974	21.3
83.08125	1.3
83.08619	25.3
84.08904	1.2
85.02902	25.3
85.06537	4.0
87.04447	1.3
91.03944	5.1
91.05474	57.5
92.05793	1.5
93.07039	44.2
95.04970	25.6
95.08603	22.5
97.02892	17.9
97.06519	11.2
97.10163	16.7
99.04437	2.7
99.08073	1.4
103.05437	2.2
105.07027	45.6
107.04954	16.7
107.08584	27.2
108.08909	1.2
109.06532	9.3
109.10146	15.5
111.04439	3.7
111.08084	9.9
113.06020	1.5
115.05432	3.3
117.07013	14.5
119.04896	2.5
119.08575	34.4
120.08925	1.4
121.06501	7.5
121.10139	15.6
123.04405	1.4
123.08073	10.6
123.11720	4.5
125.09626	14.0
127.03880	2.1
128.06213	2.0
129.06990	15.3
131.08560	20.0
133.06485	5.5
133.10130	25.4
133.51895	1.2
135.08044	5.8
135.11684	8.7
137.05952	1.9
137.09612	4.9
141.07016	1.2
142.07787	3.7
143.08537	3.7
145.04982	1.8
145.06461	2.6
145.10118	14.3
146.07237	1.2
147.08057	8.6
147.11674	17.7
149.09612	10.4
149.13264	4.1
151.03889	1.4
151.11122	5.5
153.09128	1.6
157.10114	16.9
159.08055	3.0
159.11659	3.5
161.09666	5.5
163.05995	1.1
163.11169	10.3
165.09132	3.0
165.12773	4.5
169.10027	1.1
171.11681	2.7
173.09586	1.8
175.11194	14.7
177.12674	1.5
181.12206	1.9
183.11714	1.5
185.13228	2.6
189.11183	7.1
189.12682	2.1
193.12225	34.6
194.12703	1.7
195.13786	2.8
205.12285	2.2
209.11726	1.3
211.13280	45.4
212.13626	3.1
213.12701	1.5
219.13754	1.9
223.13289	18.6
225.52094	1.1
227.12746	13.9
232.32236	1.2
233.15282	1.6
239.17899	1.8
245.19069	2.6
249.14827	4.5
253.14360	17.0
267.15909	34.7
267.20377	1.4
268.16241	2.4
269.17444	3.6
273.18466	22.3
274.18820	1.9
275.20078	9.8
283.15366	17.7
285.16953	44.8
286.17300	2.9
291.19528	100.0
292.19897	6.7
347.22110	4.7
349.23785	7.9
365.23212	51.8
366.23407	4.2
437.25076	2.3
445.25638	2.2
459.27313	1.8
463.26709	4.9
477.28543	13.1
483.31381	1.7
493.62769	1.4
495.29269	3.2
539.33643	6.0
557.34680	57.0
558.34875	7.0
575.35785	76.9
576.36047	7.0
593.36633	1.4
701.38629	1.2
719.39526	1.5
929.15771	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	934.645
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03916	1.7
65.73516	1.1
67.05504	29.5
68.20039	1.0
68.62815	0.9
69.03430	1.1
69.07065	16.9
71.08630	17.8
73.02911	3.0
79.05482	8.8
81.03436	1.2
81.07056	36.4
83.08622	11.4
85.02897	12.5
85.10175	9.1
89.05994	1.0
91.03943	8.7
91.05487	5.9
93.07047	7.8
95.08604	34.3
95.09209	1.8
97.02883	4.2
97.06511	1.3
97.10162	6.5
97.42509	0.9
102.29552	0.9
103.07607	1.0
105.07025	2.7
107.08592	4.6
109.10160	13.2
111.08052	1.4
111.11738	1.0
119.08582	2.8
121.10172	4.9
123.11716	4.7
127.03926	4.9
133.10130	3.3
135.11702	2.5
137.13255	1.2
145.04962	4.4
147.11667	2.5
149.13200	2.0
161.13289	1.7
163.06020	4.4
163.14867	1.9
175.14827	1.3
239.23715	3.5
245.22711	5.5
263.23672	8.5
313.27353	100.0
314.27737	5.6
337.27347	73.1
338.27686	3.8
392.31738	1.0
575.50323	62.7
576.50763	6.2
583.14795	1.1
593.51038	2.5
627.36163	1.0
641.47156	1.0
934.55280	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.4958
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	1.9
69.03430	1.5
69.07059	0.6
71.31660	0.5
73.02926	1.7
81.03418	1.0
81.07082	1.5
83.08624	1.0
84.32271	0.5
85.02914	2.8
87.35479	0.5
91.03963	1.9
91.05493	0.6
93.07059	0.7
95.05013	0.7
95.08630	1.7
97.02882	2.4
99.04411	0.7
101.52177	0.5
103.77379	0.6
109.10178	1.6
119.08699	0.5
127.03932	0.6
143.23941	0.5
195.10008	0.6
203.07628	0.5
210.12234	0.5
243.08438	0.6
246.40585	0.5
301.89871	0.5
313.27734	0.9
339.06097	0.5
395.87195	0.5
405.13779	2.6
413.17886	1.9
497.30872	3.0
513.03656	0.6
575.23132	1.9
659.36060	3.9
669.41565	0.8
679.25665	1.2
831.47064	41.7
832.46997	5.1
935.49591	100.0
936.49982	19.2
936.65015	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.5155
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	4.1
67.05502	89.2
69.03436	10.3
69.07066	40.1
71.04987	8.1
71.13262	2.1
73.02910	2.5
79.05486	54.6
80.05811	1.8
81.03416	19.5
81.07055	100.0
82.07355	1.6
83.04982	14.0
83.08612	22.2
85.02911	16.3
85.06537	5.3
87.04448	2.3
91.03968	9.2
91.05482	50.4
93.07039	67.3
95.04964	13.9
95.08022	3.1
95.08603	40.6
97.02892	11.2
97.06542	15.4
97.10183	9.8
99.04457	3.1
99.08081	3.1
105.04533	2.5
105.07029	30.5
107.04961	8.8
107.08590	36.7
109.02853	2.7
109.06532	4.2
109.10146	29.5
111.04410	3.4
111.08075	8.8
115.05473	2.7
116.06250	1.5
117.07002	14.1
119.08570	19.9
121.06505	4.2
121.10146	18.4
123.08052	8.1
123.11693	5.9
125.09624	7.8
125.21523	1.7
127.03916	6.8
128.06183	2.6
129.05450	6.1
129.07027	5.5
131.08575	19.2
133.06468	2.5
133.10118	28.3
135.08054	3.7
135.11694	16.1
137.09592	10.8
141.06949	2.9
143.08551	4.2
145.04970	2.5
145.10100	7.0
147.08040	2.2
147.11700	6.2
149.09613	17.4
149.13217	16.3
151.11174	4.5
155.08548	2.3
155.10701	2.9
157.10103	5.0
159.11655	14.2
161.09589	1.8
161.13234	5.2
163.05951	2.0
163.11139	6.5
165.08975	1.9
165.12767	2.2
171.11713	3.2
173.04474	2.9
173.11711	9.7
173.13167	2.6
175.11186	2.5
177.12743	6.7
179.14285	3.2
183.07935	1.5
183.11656	2.7
187.13249	1.8
189.11223	3.5
193.12234	2.7
195.13792	16.7
199.13322	2.3
211.13159	2.1
213.14767	2.8
227.12726	4.7
229.14320	11.3
243.15907	4.0
253.14304	2.1
255.15872	3.8
257.18973	3.6
267.15894	6.1
269.17465	57.3
270.17773	3.3
273.18390	4.8
275.20026	15.7
285.16827	2.8
291.19519	9.8
291.22650	1.7
297.17114	2.6
299.14825	3.1
306.45139	1.6
349.23740	24.7
365.23032	5.8
365.27014	3.0
373.18600	4.9
411.27463	1.8
413.21085	2.1
423.27353	36.7
424.27237	3.6
437.29193	9.6
447.31198	4.5
449.28854	7.1
463.30243	3.7
543.36847	29.1
544.36890	2.4
559.35974	4.9
561.37598	4.8
567.31415	3.0
577.36847	2.2
787.38220	2.0
937.42773	2.4
937.59845	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	936.5151
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	3.7
67.05504	92.3
69.03428	12.9
69.07066	42.1
71.04996	8.1
71.32652	2.1
73.02929	5.1
73.03542	1.3
77.03929	1.8
79.05490	63.9
80.05814	1.3
81.03411	18.9
81.07054	100.0
82.07388	1.9
83.04977	12.8
83.08619	22.0
85.02902	20.3
85.06545	5.1
87.04499	1.3
91.03956	5.5
91.05482	50.7
93.07040	66.4
94.07352	1.9
95.04969	14.0
95.08603	39.0
97.02898	14.6
97.06522	15.5
97.10155	6.8
99.04455	2.6
99.08071	2.7
103.05471	2.8
105.04536	2.6
105.07027	32.2
106.07344	1.6
107.04955	11.3
107.08588	37.1
109.02888	3.1
109.06551	7.3
109.10151	32.8
111.04462	2.6
111.08109	8.0
117.07011	16.0
117.39882	1.5
119.08585	23.7
121.06504	6.3
121.10146	18.5
123.04469	1.8
123.08079	7.0
123.11709	5.9
125.09643	8.6
127.03921	5.6
128.06247	1.5
129.05479	6.7
129.06990	6.4
131.08559	15.1
133.06483	2.1
133.10126	26.0
135.08101	5.8
135.11685	20.8
136.12061	1.8
137.09657	11.5
143.08595	4.6
145.04985	2.6
145.10101	8.8
147.11671	7.8
149.09622	18.3
149.13234	16.7
151.11140	3.8
155.08530	1.6
155.10597	2.9
157.10117	3.2
159.11720	12.1
161.09636	2.8
161.13268	5.2
163.06050	2.4
163.11208	4.0
165.12810	2.6
167.14281	1.5
171.11667	2.7
173.04449	2.3
173.11734	8.7
173.13132	2.9
175.11201	2.3
177.12785	5.7
179.14291	3.2
183.11771	1.8
187.14813	2.1
189.11163	2.7
195.13823	19.1
211.13318	2.1
213.14868	2.3
223.13242	2.2
227.12816	5.4
229.14316	14.6
243.15950	3.3
253.14433	1.7
255.15945	4.4
257.19000	3.3
265.42984	1.5
267.15930	4.5
269.17453	54.1
270.17767	1.6
273.18576	2.2
275.20016	16.9
285.16949	2.5
291.19525	7.8
291.22726	2.0
293.20972	2.3
349.23691	21.8
350.24078	1.5
365.23254	6.8
365.27243	1.9
373.18570	3.8
423.27454	38.3
424.27844	2.0
437.28891	5.8
447.31076	3.6
449.28961	5.5
463.30957	2.8
479.30179	3.5
543.36823	30.3
544.36865	2.9
559.36139	4.0
561.37604	4.5
567.31348	4.5
577.72632	1.4
936.37842	2.2
937.45197	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	936.5159
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	6.1
67.05504	74.6
67.87484	1.6
68.05848	2.0
69.03428	8.8
69.07070	25.1
71.04990	9.3
71.32070	3.0
73.02926	4.9
77.03944	2.7
79.05490	67.6
79.05952	3.3
80.05826	2.5
81.03416	76.4
81.07055	88.0
82.07423	2.1
83.04979	23.7
83.08620	29.1
85.02905	36.4
85.06543	5.1
87.47629	1.7
91.03970	5.0
91.05479	71.4
91.06059	4.1
92.05824	2.3
93.07043	62.9
93.07602	3.6
95.04967	31.2
95.05561	1.8
95.08602	35.3
97.02901	13.3
97.06535	16.8
97.09628	1.7
97.10155	11.8
99.04444	1.7
99.08098	4.1
103.05504	2.5
105.07025	48.1
107.04958	15.4
107.08588	40.8
109.02885	4.1
109.06533	11.6
109.10155	11.7
111.04462	4.6
111.08057	13.7
113.09660	2.0
115.05465	2.9
117.07016	15.2
119.08567	38.6
121.06512	6.8
121.10142	21.7
123.08086	7.3
123.11703	4.3
125.09660	5.3
127.03935	7.2
129.07011	16.8
131.08560	27.1
133.06528	5.7
133.10118	30.7
135.08073	5.7
135.11693	16.4
137.05974	2.7
137.09624	4.7
139.07501	1.9
141.07066	2.3
143.08598	3.7
145.04984	3.0
145.10132	12.5
147.08052	6.1
147.11685	19.6
149.09599	17.7
149.10449	1.5
149.13246	12.4
151.03928	2.3
151.11205	2.5
155.08501	2.9
157.10106	16.0
159.11679	17.4
161.09633	3.6
161.13237	3.7
163.06024	2.0
163.11194	6.9
165.12756	5.8
169.10196	2.1
171.11633	3.5
173.04517	1.8
173.13275	7.1
175.11174	15.1
175.14833	2.0
177.12857	3.7
189.11172	4.0
193.12251	42.6
195.13818	7.1
201.16364	2.2
211.13286	60.2
212.13704	2.3
213.14897	2.5
227.12764	5.1
229.19769	2.9
239.18022	3.9
249.14890	2.8
255.15913	14.7
257.19049	8.2
267.15927	36.1
269.17438	46.6
275.20029	25.6
276.20465	2.3
285.16974	52.9
293.21063	3.6
312.55212	1.8
349.23672	20.7
367.24857	4.8
399.86829	2.1
413.21820	2.4
421.25696	2.6
439.26645	4.2
443.27765	5.5
447.27307	6.6
461.28967	39.8
462.29269	2.4
465.28320	20.8
479.30023	100.0
480.30637	9.6
501.31265	2.3
521.28009	2.4
531.36798	1.9
541.35083	15.4
559.36395	29.8
560.36340	3.2
577.37427	8.8
605.33356	2.5
623.34015	3.3
775.16614	2.0
850.48047	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	937.5845
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05515	2.4
69.03423	3.5
69.07056	0.9
69.12380	3.5
69.12788	1.0
71.04998	0.9
71.08630	1.0
73.02904	4.2
76.16045	0.5
79.05476	1.3
80.40778	0.5
81.03427	1.4
81.07031	2.4
85.02903	5.8
85.10184	0.7
87.68277	0.5
91.03947	3.1
93.07053	1.3
95.08627	2.1
97.02894	6.4
98.22600	1.0
101.02396	1.4
105.07095	0.7
107.08611	1.2
107.44651	0.5
109.02888	1.0
109.10171	1.0
121.10167	0.6
127.03949	1.4
144.56125	0.6
150.25780	0.5
185.04321	0.9
188.52560	0.5
203.05315	1.1
243.08493	1.9
243.33562	0.5
266.22089	0.5
313.27969	0.6
347.09604	2.0
365.10873	0.6
405.13589	5.9
405.17932	0.6
497.30875	3.2
519.29150	4.0
659.35699	3.2
681.34601	6.4
766.66254	0.5
775.53943	1.1
868.00848	0.6
937.58490	100.0
938.58899	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	937.5846
Annotation	Unknow
Peak:m/z	Relative Intensity
65.64082	0.4
67.05500	0.9
69.03433	3.3
69.07069	0.8
71.08640	0.9
71.78719	0.4
73.02910	2.5
79.05508	1.4
80.68620	0.4
81.03451	1.3
81.07079	1.8
83.04957	0.4
83.08658	0.4
85.02916	4.6
91.03951	2.6
91.05507	0.7
93.07055	0.9
95.08600	2.1
97.02885	3.9
97.03386	0.4
99.04472	1.1
101.02426	1.7
109.10151	0.4
115.17652	0.4
115.87810	0.4
119.08581	0.5
121.10168	0.6
127.03993	1.1
185.04347	0.9
203.05402	0.6
223.61285	0.4
243.08456	2.2
246.27443	0.4
285.35635	0.4
347.09772	1.3
365.10458	0.5
405.13672	3.9
497.31229	1.4
519.29242	2.6
591.70001	0.5
605.09430	0.5
659.36090	4.5
681.34473	7.5
682.35156	0.5
775.53461	0.7
937.58508	100.0
938.58948	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	940.5983
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	100.0
68.05817	2.3
69.03418	4.1
69.07066	21.6
69.15095	3.1
69.15494	17.6
70.13422	2.1
71.04990	5.1
73.02901	6.3
79.05049	4.5
79.05489	68.9
81.03407	3.1
81.07053	95.6
83.08617	12.6
85.02895	22.8
85.06535	3.1
91.03951	16.1
91.05471	46.5
93.07037	70.1
95.04951	3.5
95.08599	82.5
97.02892	11.2
97.06534	4.0
97.10151	5.9
105.07025	35.2
107.08584	47.5
109.06524	2.6
109.10154	40.8
111.08105	3.5
111.58013	2.3
114.87229	2.6
117.07037	12.9
119.08585	27.4
121.10128	35.7
123.11722	11.2
127.03913	6.3
129.07011	4.8
130.07764	2.5
131.08559	20.8
133.10109	23.5
134.08621	2.0
135.11690	28.0
137.13225	4.6
137.76543	2.1
143.08546	4.6
145.04939	8.3
145.10094	20.5
147.11665	18.0
149.13252	15.7
157.10162	2.2
159.11662	15.9
161.13228	14.5
163.06053	10.6
163.14806	6.3
171.11736	3.7
173.13248	10.7
175.14882	3.3
185.13261	4.5
187.14812	4.6
201.16345	2.4
229.19604	3.0
243.21036	4.0
245.19037	3.9
247.20477	11.3
259.20547	4.2
261.22107	16.8
262.22321	2.3
279.23135	4.2
317.24768	4.3
319.22723	6.3
321.24231	69.1
322.24377	4.8
323.25793	8.9
333.24255	5.3
335.21738	3.1
335.25778	60.3
336.26108	4.3
337.27338	8.8
365.14334	2.4
450.24023	2.2
507.41766	4.1
525.43140	3.7
581.45490	22.2
582.46307	3.3
599.46716	24.8
600.46765	3.4
746.35944	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	943.488
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05375	3.5
67.05769	1.0
69.03295	3.5
69.03704	0.9
69.06960	0.7
69.27678	0.9
69.28096	1.4
71.01254	0.6
71.01571	0.4
71.04883	0.6
73.02779	3.3
74.32957	0.3
79.05354	2.3
81.03271	1.7
81.03782	0.7
81.06906	2.8
81.07429	0.8
83.08480	0.4
85.02753	6.5
85.03330	1.1
87.04326	0.4
91.03795	3.5
91.04418	0.5
91.05327	1.6
93.06888	2.5
95.08447	2.0
95.09093	0.7
97.02731	5.8
97.03406	0.6
99.04295	1.0
99.04868	0.5
101.02212	2.0
105.06863	0.9
105.07459	0.3
105.47731	0.3
107.08414	1.7
109.02691	0.9
109.09975	2.7
115.03803	0.5
117.06833	0.5
119.08400	0.9
121.09961	1.2
121.94360	0.3
127.03713	1.8
133.09950	0.9
135.11534	0.7
145.04869	0.7
145.10008	0.8
160.37425	0.3
173.11566	0.6
185.04022	1.1
187.14844	0.3
203.05072	0.7
220.96071	0.3
229.14069	0.5
243.08336	2.2
335.25558	0.5
347.09479	2.3
363.08923	0.5
365.10388	1.3
405.13626	6.5
413.17847	4.4
441.16507	0.4
483.34238	0.4
519.29309	6.5
520.29974	0.6
524.25208	0.4
575.23004	4.4
576.23370	0.4
665.25555	0.4
681.34583	10.5
682.34857	1.1
691.40100	2.5
692.40521	0.5
853.45465	100.0
854.45764	13.3
879.47205	3.6
880.48071	0.5
882.27600	0.4
897.47968	0.7
925.46588	1.9
943.47626	22.1
944.47992	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	944.5211
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	16.0
69.03084	1.3
69.03431	19.5
69.07065	14.7
70.01167	5.2
71.01347	3.2
73.02917	28.0
79.05486	9.9
81.03409	3.8
81.07054	37.8
83.01350	1.9
83.08620	9.8
85.02900	70.3
87.04490	2.6
91.03979	2.7
91.05480	9.0
91.05972	1.4
93.07040	31.9
93.90920	1.3
95.01324	14.8
95.04974	1.7
95.08601	75.1
96.42159	1.3
97.02254	2.7
97.02888	51.7
97.10156	7.3
99.00800	1.3
99.04437	2.6
101.76789	1.4
103.03916	3.8
105.07027	16.5
107.04989	1.3
107.08588	39.2
109.02856	2.9
109.10152	47.2
110.10468	1.7
111.11691	1.8
113.02346	3.4
115.03938	23.8
117.07035	2.6
119.08573	30.8
120.09035	1.3
121.10135	37.0
123.00739	2.0
123.11707	21.8
127.03912	19.4
131.08589	8.0
131.09422	1.5
133.04977	9.3
133.09180	2.4
133.10126	28.4
134.84695	1.3
135.10651	1.6
135.11687	31.4
137.13266	14.4
141.01820	68.3
142.02151	1.5
145.04948	41.5
145.10103	12.5
147.11682	22.4
149.13239	32.3
151.14928	1.4
153.09111	3.1
157.10141	2.0
159.02895	15.2
159.11745	5.8
161.13210	11.7
163.06032	20.4
163.14822	10.7
171.11702	2.1
173.13292	7.9
175.14847	14.0
177.03935	7.7
177.16396	7.6
179.17929	3.3
187.14850	5.9
189.16383	42.9
191.17940	68.7
192.18372	2.8
193.19467	1.6
201.16376	50.2
202.16747	2.1
203.17946	59.9
204.18257	2.6
205.19510	41.1
206.19873	2.4
213.16306	2.0
215.17935	21.7
216.18307	1.4
217.19461	11.3
219.21098	1.7
221.15340	2.4
221.19020	2.6
229.19557	3.0
231.21089	4.3
235.16844	10.1
241.06998	1.5
241.19545	3.8
243.21040	7.7
245.22560	3.4
247.16939	27.4
249.18422	9.0
255.04897	2.6
255.21028	4.4
257.22607	2.3
259.08191	2.5
261.18457	9.5
269.22534	2.4
271.58313	1.5
273.06042	5.1
277.96094	1.5
287.19974	2.3
289.21573	2.9
291.07062	4.1
295.10226	5.0
309.08200	3.6
315.23303	2.5
321.08130	19.0
339.09045	1.8
355.26672	1.4
393.35086	19.7
411.36121	4.7
421.34207	1.4
438.88135	1.5
439.35672	100.0
440.36166	7.3
452.24860	1.6
611.07306	1.5
944.46918	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	946.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03424	3.1
77.82260	0.6
79.05492	1.5
81.03425	1.4
85.02904	8.9
91.05467	0.7
93.03434	0.5
95.04947	0.6
97.02902	3.4
98.22594	1.1
103.05463	5.7
105.07024	6.1
107.04964	1.3
109.02885	0.9
109.06548	0.7
115.05451	8.4
121.06494	1.8
122.03645	0.8
123.04421	2.6
127.03951	1.4
131.04932	6.2
133.06506	4.1
135.04436	1.1
137.04944	1.3
137.05984	19.1
143.04980	3.2
145.04990	1.5
148.05186	1.4
149.05981	10.4
151.03902	8.0
153.05438	0.8
156.49823	0.5
161.05983	41.4
162.06311	1.6
163.07518	2.8
164.08290	1.4
175.07561	0.7
178.07765	0.6
179.07051	1.4
179.08586	4.2
180.08711	0.8
181.06505	1.2
195.08066	1.0
196.08804	1.7
197.09558	1.5
207.08034	4.4
221.09660	0.7
223.07501	0.7
224.08286	4.1
225.09167	4.1
227.07108	0.7
228.82230	0.7
235.07530	11.2
236.08148	1.1
237.05496	1.2
239.10715	5.2
241.08823	0.7
242.09482	0.6
252.07693	3.0
253.08484	2.6
254.09399	0.6
255.06609	1.0
256.07153	0.9
257.11780	1.3
267.07343	1.0
267.10165	16.0
268.10388	1.0
270.08871	1.4
273.11169	5.8
285.11212	100.0
286.11520	6.4
303.12274	45.4
304.12509	2.1
408.58035	0.7
447.16489	9.8
448.17114	0.7
726.02289	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
71.31873	2.0
73.45001	1.3
81.03403	3.9
82.77732	1.1
85.02904	3.1
91.05474	1.5
103.05490	1.7
107.04940	3.1
109.02869	4.9
109.88750	1.3
131.04916	3.2
133.02841	2.0
137.02304	4.2
145.02785	1.5
147.04382	2.8
149.02386	1.5
153.01805	2.9
157.02853	2.2
163.03917	3.9
164.97433	1.5
165.01830	3.6
172.66934	1.2
173.02335	3.9
174.03088	1.6
175.03874	2.8
185.02315	2.5
187.02510	1.2
187.03856	6.8
191.03397	4.7
192.04166	1.9
193.01277	4.0
195.02858	16.4
201.01787	7.4
202.02519	1.8
203.03391	5.7
207.02806	1.7
209.06032	1.4
213.01892	2.6
215.03392	5.5
217.01303	2.1
219.02827	7.9
220.03639	2.6
221.05974	4.2
223.03992	1.5
225.05380	2.1
229.01315	5.7
230.02075	3.6
231.02844	21.7
232.03313	1.7
237.05472	4.8
241.01355	3.5
241.04831	2.0
245.00714	1.7
247.02353	12.6
248.03110	2.8
249.05530	3.5
253.05031	3.3
255.06665	1.9
257.00824	7.8
258.01434	1.7
259.02341	30.8
260.02835	1.6
265.05020	5.0
267.06445	2.4
269.04391	2.2
273.00314	1.9
275.01822	22.6
276.02628	44.7
277.03323	65.2
278.03674	3.0
279.06522	2.4
281.04352	6.2
283.06046	4.0
285.00256	4.4
289.04950	1.6
291.03119	2.0
293.04379	7.5
295.02658	1.8
295.05988	2.7
297.03888	3.1
300.99881	2.2
302.00586	4.2
303.01331	51.7
303.06436	2.4
304.01712	3.2
305.04361	5.4
307.02267	2.4
307.05811	1.4
309.04099	6.4
311.05545	7.1
313.03458	2.0
315.01517	3.1
319.02484	2.4
321.03976	9.6
323.05493	2.5
325.03452	4.6
327.04947	5.5
331.06119	2.4
333.03815	6.3
335.01819	2.7
337.03369	9.5
339.01245	1.5
339.04941	6.1
341.02972	3.0
343.05768	1.8
347.01883	1.6
347.05634	2.9
349.03278	7.9
350.04071	2.0
351.01233	1.5
351.05011	4.9
353.02859	5.8
355.04407	3.5
359.05484	3.0
361.03278	7.7
363.01263	4.4
363.05194	2.7
365.02887	14.0
366.03464	1.8
367.04410	6.3
375.05237	2.8
377.02701	7.7
379.00247	2.3
379.04483	4.1
381.02399	5.0
383.04059	6.6
387.04739	4.0
389.02591	6.8
391.04486	3.7
393.02258	7.2
395.03915	11.5
403.04562	3.2
405.02182	9.6
406.02643	2.1
406.99640	1.9
407.04129	4.3
409.01645	8.4
411.03391	4.1
413.04581	1.7
415.04785	3.1
417.06305	2.4
419.04044	3.7
421.01950	5.3
422.02576	2.0
423.03342	11.4
426.02026	1.6
427.02890	4.6
433.01785	5.0
435.03558	2.4
437.01309	27.1
439.02869	41.2
440.03113	4.0
441.04135	2.0
447.03223	5.0
449.01328	1.9
451.02936	21.0
452.03403	1.9
453.04822	2.8
455.02429	18.0
457.03610	1.7
459.03430	2.7
461.04913	2.6
463.02725	5.5
465.04883	3.0
467.02167	6.1
469.03992	100.0
470.04193	9.9
471.03311	3.2
472.02628	1.7
475.02960	2.7
479.06403	1.7
481.04361	2.7
483.05713	1.8
485.02960	2.6
487.03412	2.4
489.04477	9.8
493.04178	15.4
495.01855	62.7
496.02255	3.1
505.03986	18.8
506.04178	2.4
507.05838	7.6
517.04083	18.9
518.04187	1.9
523.05109	11.7
535.05103	33.2
536.05475	3.9
552.43280	1.5
553.06543	7.7
571.06769	1.6
589.08685	1.8
597.04895	6.0
615.06024	7.7
633.07025	11.6
935.08215	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	952.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99772	0.3
69.03427	5.6
70.88515	0.3
70.88841	0.4
71.01317	0.8
71.04960	0.9
73.02888	0.5
79.01831	0.5
81.03413	5.4
81.20405	0.2
83.01339	2.6
85.02415	0.4
85.02897	4.7
90.71487	0.2
91.05440	0.7
95.01273	0.3
97.02888	2.4
99.04444	2.7
101.02337	0.7
103.05456	1.1
109.02873	3.5
111.00768	0.8
113.02268	0.3
117.03380	0.3
119.04913	0.5
123.00742	0.3
125.02356	0.4
127.03899	4.1
129.03365	0.5
130.46516	0.2
131.04884	0.8
133.02737	0.2
138.69749	0.2
139.00261	2.7
139.03920	0.2
142.48691	0.2
143.03429	0.3
145.02826	0.5
145.04922	1.7
147.04393	1.7
153.00630	0.4
153.01820	7.4
153.03043	0.4
157.01295	0.8
157.02821	1.4
159.04367	0.4
161.02272	0.3
163.03896	0.5
166.99753	0.2
169.01353	2.0
169.02773	0.4
171.04356	0.3
173.02356	1.2
175.03929	2.4
185.00769	2.1
185.02333	1.7
186.01564	0.5
187.03877	4.9
189.01808	0.9
191.03357	0.8
199.03918	0.3
201.01820	2.4
202.02493	0.3
203.03363	3.8
213.01802	3.6
213.05287	0.4
215.03374	4.0
217.01262	1.0
219.02873	0.7
223.03822	0.3
227.03296	0.3
229.01318	2.4
229.04942	0.3
230.01944	0.6
231.02870	20.4
232.03276	1.1
233.04317	0.3
239.03496	0.5
241.01270	3.7
241.04919	0.5
243.02832	0.5
245.00795	1.1
247.02318	2.9
251.03487	0.4
255.02980	0.4
257.00812	5.3
258.01248	0.5
259.02374	34.3
260.02994	3.3
261.03833	0.8
263.03564	0.3
267.02872	0.9
269.04361	0.8
271.02405	0.6
273.00281	0.4
273.03802	0.3
275.01822	5.4
276.02536	0.9
277.03406	100.0
278.03754	4.8
279.03082	0.5
281.04349	0.3
283.02414	0.4
285.00299	3.7
285.03635	0.4
286.01080	1.0
287.01877	2.9
287.05035	0.4
289.03433	1.0
293.04303	0.3
295.02362	0.6
297.03912	2.3
299.01837	0.7
300.99945	0.3
301.03333	0.6
303.01328	49.0
304.01614	2.5
305.00766	0.7
307.02328	1.2
312.99734	0.6
313.03378	0.9
315.01450	1.8
315.04745	0.4
321.02356	2.8
323.01764	1.2
325.03387	1.7
326.70795	0.3
328.99207	0.9
329.02719	0.4
335.01804	0.6
337.03339	0.4
339.01447	0.3
341.02914	1.0
343.04526	0.7
345.02390	2.3
351.01270	0.5
353.02911	1.5
355.00824	0.3
355.04663	0.3
357.02271	0.3
357.06146	0.3
363.01266	2.0
365.02844	0.4
369.02478	1.0
371.04062	1.2
379.00739	2.0
381.02402	4.2
381.06714	0.2
382.02634	0.3
383.04108	0.5
385.05579	0.4
387.03452	0.8
391.00891	0.8
397.01767	1.0
399.03519	0.9
407.00317	3.7
408.00699	0.4
409.01862	4.3
410.02231	0.5
411.03268	0.3
425.01547	0.4
426.02008	0.3
427.02917	19.1
428.03439	1.3
429.04633	0.5
434.99710	1.8
435.99814	0.3
447.05545	0.6
453.00858	41.3
454.01236	3.0
465.06577	1.6
471.01974	1.9
489.02853	0.4
495.01886	0.5
597.04980	0.4
615.06110	0.9
633.06964	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03410	2.1
70.78481	3.6
70.78825	2.1
81.03407	5.5
85.02895	8.5
86.15762	1.5
91.05481	1.9
95.01332	2.9
103.05490	1.9
105.03414	2.3
109.02876	6.5
119.04951	1.6
121.02838	2.6
129.92360	1.7
131.04875	2.4
133.02812	2.4
137.02303	3.0
139.03853	2.4
145.02832	2.8
147.04387	2.6
157.02867	3.8
161.02351	2.2
163.03900	6.4
165.01775	3.1
165.07005	1.6
173.02339	3.6
175.03900	5.4
176.01620	1.8
177.01903	2.6
179.03366	4.1
181.06491	2.4
187.03889	7.8
191.03406	6.0
192.04103	1.9
193.01315	5.0
195.02869	14.3
201.01813	9.1
202.02486	2.2
203.03362	10.5
205.06528	1.9
207.02779	3.0
209.06015	3.4
213.01878	7.0
215.03334	9.2
219.02768	8.0
220.03505	2.6
221.05981	3.3
223.03944	2.6
225.05353	3.1
229.01289	9.4
230.02036	3.6
231.02847	45.2
232.03386	2.3
233.05994	2.3
237.05443	5.9
241.01251	5.5
241.04843	1.7
247.02222	14.6
248.03088	3.1
249.05507	4.1
253.04936	9.9
255.02879	3.3
257.00751	12.5
258.01672	2.6
259.02353	48.9
259.04932	3.3
260.02750	2.8
265.05038	8.1
267.02814	2.6
267.06094	1.8
269.04376	3.3
275.01712	27.8
275.06592	2.5
276.02603	47.1
277.03372	100.0
278.03891	3.9
279.02780	5.1
279.06091	2.0
281.04486	14.2
282.04770	2.7
283.05960	3.7
285.00418	8.6
285.03503	1.8
287.06851	2.1
289.04916	2.2
291.02777	2.8
291.06165	1.9
293.04462	6.4
295.02365	2.1
295.06006	2.7
296.03250	2.7
297.03903	6.5
299.01706	2.1
299.05573	2.5
300.99847	3.2
302.00613	4.3
303.01309	93.1
303.06555	3.5
304.01678	5.9
305.01010	2.5
305.04388	7.3
307.02341	5.7
307.05963	4.2
309.03806	13.1
310.04379	1.9
311.05356	4.8
313.03699	3.3
315.01382	3.5
315.06561	2.9
317.04486	3.3
319.02411	2.3
319.05991	4.0
321.04205	9.5
323.01718	2.8
323.05292	2.2
324.02438	2.3
325.03134	8.3
326.04202	2.1
327.01566	1.9
327.04849	8.4
331.05923	2.9
333.03726	6.9
335.01791	4.3
335.05447	3.8
337.03326	15.2
338.03992	2.4
339.01221	2.3
339.04825	7.2
341.02890	4.1
345.03897	2.6
347.01654	2.1
347.05475	5.4
349.03290	11.6
350.04065	2.8
351.01270	3.0
351.05048	5.3
353.02899	12.0
355.04395	5.6
359.05652	4.1
361.03421	7.6
363.01169	7.3
363.05020	5.8
365.02872	17.9
367.04340	11.4
371.05508	2.3
373.03088	3.8
375.04904	6.0
377.02679	9.4
379.00638	4.3
379.05014	7.6
380.01141	2.4
381.02420	10.0
383.04004	9.9
387.04947	7.3
389.02914	11.9
390.03448	1.9
391.04437	5.7
393.02261	14.5
395.03979	14.8
397.03207	2.2
399.04437	3.8
401.02698	2.2
403.04327	4.7
405.02097	13.3
406.03073	2.5
407.00018	6.6
407.04410	4.3
408.01025	5.2
409.01825	16.5
410.01639	2.0
411.03381	9.7
413.03360	2.7
415.04324	5.5
417.01663	2.4
419.04315	9.0
419.09348	1.9
420.04352	2.5
421.01318	10.5
422.02390	6.3
423.03427	11.4
426.02133	4.2
427.03207	7.9
429.02344	3.7
431.04099	3.3
433.01926	5.3
435.03687	3.0
437.01340	72.0
438.01553	5.9
439.02927	77.2
440.03189	6.4
441.04199	2.7
443.03976	7.0
446.02594	1.9
447.03232	5.5
449.01337	4.8
451.02881	27.4
453.00662	5.9
453.05493	3.7
455.02420	62.5
456.02625	7.0
457.03806	2.5
459.03268	4.8
461.05392	3.9
463.02924	8.0
464.99805	2.6
465.04758	5.2
467.02045	11.9
469.03979	84.5
470.04041	5.6
471.03128	5.4
472.03049	4.2
475.02911	5.2
477.00388	2.3
479.01559	1.8
480.99658	3.0
481.04749	2.9
485.03271	6.1
487.02902	4.1
489.04547	15.7
491.02014	3.2
493.03989	33.9
494.04324	3.6
495.01865	56.9
496.02118	6.2
499.02841	3.0
505.03995	46.6
506.04318	4.9
507.06082	8.8
511.05341	3.0
513.02362	2.3
517.04028	41.6
518.04199	4.5
523.05261	16.7
535.05042	65.3
536.05457	6.6
553.05988	13.3
561.02789	5.2
571.07330	3.1
579.03479	2.7
589.07495	2.4
597.05530	10.2
615.06110	21.1
616.06250	1.7
633.06903	19.7
935.07269	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	952.5098
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	96.9
68.05825	2.6
69.03431	14.8
69.07067	44.9
69.15491	11.0
71.01358	3.0
71.05000	9.2
73.02902	5.6
74.58537	1.1
77.03955	1.6
78.72150	1.1
79.05490	77.7
80.05814	1.9
81.03416	74.9
81.07054	100.0
82.07410	1.3
83.04981	29.8
83.08617	33.8
84.70002	1.2
85.02903	39.0
85.06535	6.2
86.80595	1.2
91.03976	7.4
91.05477	92.4
92.05814	2.9
93.07043	64.2
94.07390	1.8
95.01360	1.4
95.04349	2.1
95.04967	45.1
95.08603	50.4
95.48141	1.3
96.08934	1.1
97.02892	14.8
97.06519	24.4
97.10164	11.9
99.04462	3.8
99.08101	4.5
103.05481	2.7
105.04542	3.0
105.07028	63.4
107.04956	22.0
107.08593	33.6
109.02871	2.1
109.06535	11.3
109.10152	35.2
111.04443	4.7
111.08087	21.0
113.06027	4.1
115.05453	5.0
116.04733	1.8
117.07007	20.0
119.04929	3.4
119.08580	47.2
120.08928	2.1
121.06509	7.5
121.10123	19.7
123.04442	1.5
123.08080	10.8
123.11691	6.5
125.09621	11.5
127.03896	6.0
127.07471	1.4
128.06212	3.2
129.05486	7.5
129.06992	18.4
130.07802	1.5
131.08572	30.6
133.06511	7.1
133.10120	38.6
135.08087	7.0
135.11685	11.9
137.06041	1.6
137.09613	13.6
141.07022	2.4
141.09135	1.7
142.07803	5.9
143.08595	6.4
145.04974	2.9
145.10124	18.7
147.08054	8.1
147.11690	30.6
148.12019	2.0
149.09610	29.3
149.13266	6.4
151.03961	1.5
151.07518	2.1
151.11200	5.2
153.12686	1.4
155.08574	4.5
155.10605	2.0
157.10136	26.5
159.08003	1.6
159.11687	11.6
161.09605	2.7
161.13258	4.7
163.06070	2.6
163.11166	15.4
165.09146	2.7
165.12746	4.1
169.10144	3.3
171.10280	1.4
171.11694	4.4
173.04411	2.5
173.09665	1.5
173.10426	1.4
173.11742	10.6
173.13264	6.1
175.11171	19.4
177.12743	4.9
179.14334	3.3
181.12263	2.4
183.11694	3.7
185.13272	2.9
187.11230	2.1
189.09230	1.3
189.11221	4.7
191.14297	1.4
193.12241	54.9
193.13979	2.7
195.13799	3.0
197.13313	1.9
198.44514	1.5
199.13280	3.1
211.13284	61.5
212.13655	2.7
213.16386	1.5
217.15945	1.8
223.13226	2.3
227.12738	7.4
229.14319	12.6
229.19518	1.8
239.17947	2.9
243.15974	2.1
247.20721	2.4
249.14833	2.5
253.14334	4.1
253.17947	1.4
255.15945	5.1
257.18997	9.1
267.15897	29.6
268.16281	2.0
269.17474	6.2
273.18488	5.2
274.19144	1.5
275.20041	35.4
276.20334	2.4
283.15347	2.0
285.16943	40.2
291.19604	8.8
293.21170	3.3
301.16422	9.2
313.16385	1.4
315.59924	1.5
326.07834	1.3
349.23718	39.4
350.24130	2.0
365.23209	3.9
381.22589	4.3
421.25803	7.5
423.27399	2.9
439.21194	2.3
439.26944	21.9
445.29596	1.7
447.27484	2.8
453.28525	3.4
461.29004	2.9
463.30615	5.7
465.09955	1.4
465.28522	3.9
477.28366	1.7
479.30463	2.5
481.28241	1.5
495.29507	3.7
541.35199	15.8
542.35010	2.8
557.34827	3.4
559.36279	33.0
560.36371	5.7
575.36053	7.6
577.37115	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	952.5445
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	100.0
68.94537	1.8
69.03429	22.9
69.07069	18.7
71.04998	14.6
71.32289	1.8
71.32666	2.3
74.92074	1.7
77.03940	2.2
79.05494	58.2
81.03436	9.4
81.07054	64.5
83.01380	2.0
83.04989	7.5
83.08625	18.8
85.02893	12.1
85.06544	5.2
87.03955	3.6
87.04465	35.6
91.03937	3.5
91.05479	34.4
93.07043	52.1
95.04974	9.3
95.08604	44.9
96.08952	2.1
97.02904	9.7
97.06543	4.0
97.10165	27.5
99.04454	18.4
105.04523	3.1
105.07030	21.7
107.04965	4.1
107.08606	31.8
107.47663	1.9
109.06498	4.2
109.10150	57.2
110.10543	2.0
111.04420	3.6
111.08074	4.6
115.03922	3.8
117.05420	1.8
117.07010	8.8
119.08595	19.7
121.06525	2.3
121.10162	19.8
123.08051	3.6
123.11688	2.9
124.10908	1.7
125.09624	16.4
127.03946	3.0
129.06990	4.8
131.08557	13.1
133.10135	11.4
135.08043	2.0
135.11700	19.9
137.09607	4.2
137.13287	2.6
143.08562	2.6
145.04900	3.0
145.10114	15.0
147.08023	2.1
147.11687	10.3
149.09573	3.1
149.13274	8.4
153.12714	2.8
155.07069	8.9
155.08441	1.6
157.10170	3.2
159.11656	8.5
161.13193	4.4
163.11203	5.2
163.14842	2.1
165.12604	2.2
171.11671	4.6
173.09685	4.4
173.11732	14.4
173.13251	4.7
175.14938	3.2
181.12180	2.4
187.14893	3.4
189.11130	2.7
191.10689	3.4
193.12334	2.7
199.13255	16.0
209.11739	4.2
217.14270	2.8
225.14679	2.4
227.12767	6.2
229.14342	35.5
241.14360	6.1
243.21115	4.9
245.86446	1.7
257.13858	3.4
259.15234	2.4
259.20435	4.6
261.22086	12.6
267.15869	7.6
289.21494	3.2
299.23730	2.7
315.17957	13.3
317.24503	4.1
327.23004	2.7
333.19031	2.6
335.25793	74.6
336.26346	2.3
363.25293	2.9
402.16727	1.9
469.32718	2.1
477.35794	27.9
478.36136	3.0
489.35748	40.9
490.36194	2.9
507.36826	2.2
517.35352	3.1
524.84448	2.3
525.35217	3.7
543.36432	5.7
575.39056	4.7
593.40320	8.0
893.06409	2.2
952.59277	6.4
953.62164	2.3
989.81488	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	954.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
68.00529	0.3
69.03429	1.0
69.32603	2.0
79.01849	9.2
81.03408	2.4
85.02918	1.4
89.20103	0.3
91.05479	0.5
97.02905	1.9
98.80415	0.4
103.05424	0.7
107.01311	2.3
109.02852	1.0
115.05412	1.4
119.04905	0.5
123.00782	0.5
125.02345	4.3
127.03914	1.1
131.04898	1.3
139.03967	0.4
143.03386	8.9
143.04941	0.8
145.02802	0.3
147.04410	1.3
153.01817	88.9
153.02921	6.7
154.02161	2.3
155.04900	0.9
157.02840	1.1
157.06546	0.3
159.04372	1.3
161.05975	0.5
163.03922	0.6
171.02850	0.9
171.04388	3.0
173.02382	0.8
175.03879	1.6
177.01788	0.4
177.05431	0.7
179.03387	0.3
179.42816	0.3
181.06491	0.4
183.04317	0.4
185.02258	0.7
185.05995	0.5
187.03896	5.3
189.05434	1.0
191.03357	0.7
199.03876	5.1
200.04248	0.3
201.01840	1.7
203.03345	3.6
205.04953	1.3
209.02298	0.9
209.05983	0.5
211.03912	1.4
213.01846	1.9
213.05359	0.4
215.03378	6.1
217.01326	0.4
217.04977	1.4
221.06110	0.5
223.03871	0.4
225.01939	0.4
227.03357	6.0
227.06950	0.6
229.01324	2.2
229.04890	1.2
231.02852	13.5
232.03365	0.5
233.04424	1.1
237.01813	0.7
237.05586	0.7
239.03391	1.3
241.01311	2.0
241.04890	0.8
243.02867	7.1
244.03181	0.5
244.51830	0.3
245.04514	2.2
247.02356	2.4
251.03235	0.4
253.04921	0.6
255.02773	5.7
255.05011	13.7
256.05536	0.3
257.00793	2.3
257.04398	1.1
259.02359	21.0
260.02792	1.0
261.03986	2.6
265.04965	0.8
267.02850	0.7
269.04437	1.1
271.02347	8.5
272.02496	0.4
273.00522	0.4
273.03864	7.1
275.01889	2.6
276.02499	0.9
277.03400	51.4
278.03680	2.2
281.00885	0.4
281.04407	0.5
283.02338	6.3
283.05511	0.4
284.02893	0.4
285.00308	1.3
285.03610	0.5
287.01746	0.9
287.05096	0.5
289.03403	8.1
295.02310	0.9
297.03906	1.7
299.01825	20.9
300.02313	1.7
301.03378	19.1
302.03827	0.8
303.01315	18.6
304.01559	0.8
305.02798	1.9
309.03900	0.5
311.01907	0.6
311.05170	0.4
313.03427	2.1
315.01389	8.3
315.05005	1.6
316.02014	0.7
317.02866	4.8
318.03256	0.4
321.02701	1.2
323.01981	0.6
325.03711	0.4
327.01334	9.7
327.04739	0.4
328.01788	0.5
328.99258	2.2
329.02747	0.6
331.00946	1.9
333.02325	0.5
337.03152	0.6
339.01474	1.4
339.04788	1.4
341.02826	3.1
341.06387	0.4
343.00775	0.7
343.04410	1.0
345.02377	100.0
346.02734	5.3
349.03464	0.4
353.03079	0.5
355.00415	0.4
355.04401	1.2
357.02344	0.4
357.06274	0.5
361.02032	0.4
365.03000	0.9
367.00616	0.7
367.04492	1.4
369.02374	2.7
381.02411	1.1
383.03876	1.3
385.05389	2.0
387.03308	1.6
393.02533	1.7
399.03430	0.5
411.03439	5.7
412.03577	0.4
429.04547	1.0
447.05515	1.7
465.06409	0.9
465.75793	0.4
497.03323	0.3
575.06830	2.3
599.06171	1.3
602.38867	0.3
604.96930	0.4
617.07086	1.0
937.09583	2.9
942.66992	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.12
Annotation	Unknow
Peak:m/z	Relative Intensity
67.28888	0.1
69.03421	2.4
71.01353	0.2
71.04981	0.4
71.33733	0.3
72.83144	0.1
73.02914	0.4
78.64313	0.1
79.01849	2.1
81.03409	2.8
83.01321	0.2
85.02901	1.4
87.04492	0.2
88.17318	0.1
89.03915	0.1
91.05476	0.5
97.02879	1.2
99.04436	0.9
101.02390	0.2
103.05441	0.9
105.18182	0.1
107.01302	0.4
109.02869	2.7
113.02354	0.2
119.04938	0.3
125.02322	1.2
127.03904	3.7
129.03391	0.5
131.04921	0.6
137.05956	0.2
143.03389	2.5
145.02866	0.3
145.04976	0.3
147.04425	1.0
153.01819	21.3
153.02921	1.8
154.02162	0.4
157.02826	1.1
159.04391	0.4
161.02325	0.2
163.03891	0.5
173.02377	1.1
174.03110	0.2
175.03874	2.0
179.03362	0.2
181.06528	0.2
185.02335	1.3
187.03885	4.6
188.04176	0.2
189.01787	0.2
191.03397	0.9
199.03851	0.2
201.01797	2.1
202.02562	0.4
203.03375	3.4
204.03758	0.2
205.04782	0.2
207.02873	0.2
213.01802	3.3
213.03668	0.2
213.05382	0.3
215.03368	4.2
216.03749	0.2
217.01247	0.2
219.02925	0.7
225.05455	0.3
229.01326	2.0
229.04808	0.2
230.02008	0.5
231.02859	18.0
232.03157	0.8
233.04489	0.1
237.05423	0.3
239.03394	0.2
241.01285	3.5
241.04970	0.3
243.02780	0.2
245.00757	0.2
247.02365	3.2
248.02899	0.2
249.03828	0.1
253.04997	0.2
257.00772	3.3
257.03842	0.2
258.01181	0.4
259.02356	30.5
260.02707	1.7
261.03851	0.4
265.05008	0.3
268.02914	0.1
269.04474	0.2
271.02151	0.1
273.00296	0.2
273.03943	0.1
274.01236	0.2
274.98785	0.3
275.01834	5.3
276.02597	3.0
277.03394	100.0
278.03757	4.3
281.04291	0.3
285.00266	2.3
285.03412	0.2
287.01889	0.4
289.03406	1.2
293.04507	0.2
297.03836	0.5
299.01773	0.4
300.99884	0.2
301.03320	0.3
302.00647	0.3
303.01312	44.7
304.01654	2.0
309.03931	0.2
311.01913	0.3
311.05353	0.3
313.03461	0.6
315.01270	1.3
315.04935	0.4
321.02313	3.0
323.01807	0.2
325.03171	0.2
327.01520	0.2
327.04938	0.7
328.99216	1.7
329.02759	0.3
329.06378	0.2
331.00827	0.2
337.03320	0.4
339.01239	0.2
339.04987	0.8
341.02835	0.8
343.04468	0.3
345.02374	0.9
353.02728	0.3
355.00870	0.2
355.04416	1.0
357.05954	0.8
359.03519	0.2
363.03421	0.2
365.02771	0.4
367.04358	1.3
369.02008	0.2
371.04095	0.3
381.02307	0.4
383.03946	1.2
385.05679	1.5
387.03329	0.7
388.03586	0.2
393.02142	0.2
399.03137	0.3
401.05209	0.9
411.03378	1.9
429.04504	2.0
447.05511	4.0
453.00778	0.2
455.01517	0.2
465.06583	3.1
466.06592	0.4
628.77588	0.2
691.90863	0.2
764.33002	0.2
767.07172	1.0
785.07513	0.4
832.07910	0.2
850.45355	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.6134
Annotation	Unknow
Peak:m/z	Relative Intensity
66.24539	0.7
67.05502	46.7
69.03415	1.9
69.07117	15.0
69.07507	1.3
71.04983	2.1
71.08609	0.6
73.02909	2.3
77.03916	0.8
78.78145	0.7
79.05490	32.3
81.03403	1.6
81.07050	50.6
83.04970	1.1
83.08608	8.0
85.02895	13.9
85.06529	1.5
87.29289	0.6
91.03951	10.6
91.05473	19.3
93.07039	37.9
94.07336	0.9
95.04962	1.7
95.08600	44.0
96.04421	0.7
96.08902	1.3
97.02888	8.2
97.06530	3.2
97.10161	4.2
99.04460	0.9
99.08087	1.3
105.04501	0.8
105.07029	16.0
107.08590	26.0
109.02840	0.6
109.06499	0.9
109.10158	20.1
110.10445	1.0
111.08089	1.3
113.09617	0.6
115.05389	0.9
117.07002	5.8
119.08572	15.1
121.10142	22.8
123.08040	1.7
123.11703	9.7
125.09654	0.8
127.03889	4.9
129.07002	1.5
131.08562	11.6
133.10120	14.9
135.08028	0.6
135.11687	16.4
137.13242	2.3
139.11177	0.8
143.08516	2.2
145.04951	5.6
145.10136	10.4
147.11658	10.7
149.09595	0.7
149.13231	9.4
151.14777	1.5
155.08476	1.0
156.19385	0.7
157.10110	2.0
159.11694	11.0
161.13268	9.3
163.06030	7.7
163.14812	5.6
165.12839	0.7
165.16348	1.0
171.11722	3.1
173.13245	9.3
175.14828	3.6
177.16368	2.4
185.13214	3.1
187.14822	3.4
189.16351	1.6
199.14842	1.7
201.16414	2.2
203.18019	0.7
224.03470	0.6
231.21159	1.6
233.19077	0.7
233.22626	1.0
241.19629	4.6
243.21094	6.2
245.22752	0.8
252.28276	0.6
257.19147	0.8
259.20541	10.6
261.22122	21.9
262.22488	1.7
263.23663	2.4
273.22061	0.7
277.21750	0.9
279.23294	1.4
285.22162	0.7
297.21918	0.6
299.23685	1.0
303.23114	0.7
317.24771	3.9
333.24213	8.1
335.25778	100.0
336.26166	6.6
337.27356	11.3
338.27731	1.0
489.35349	0.8
499.38211	0.8
503.36871	0.8
521.43402	4.2
531.40576	0.9
539.44269	1.3
543.40283	1.1
561.85107	0.6
595.47186	14.5
596.47382	2.2
611.39673	0.8
613.48187	17.7
614.48425	1.8
634.77051	0.7
785.16669	0.6
786.80548	0.7
954.97662	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.6141
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	75.7
69.03419	5.0
69.07066	19.3
71.04979	2.3
73.02911	5.4
79.05489	58.3
80.05823	2.2
81.07053	82.4
83.05000	4.3
83.08611	9.1
85.02898	22.6
85.06567	2.1
91.03963	14.2
91.05471	38.2
93.06445	2.5
93.07036	60.4
95.04973	6.0
95.08595	63.5
97.02890	11.8
97.06545	4.4
97.10201	4.4
98.23340	2.7
99.04489	2.0
105.04517	1.9
105.07027	27.1
107.08591	35.0
109.06550	2.4
109.10146	32.1
116.06232	1.9
117.07014	10.4
119.08585	22.0
121.10136	27.9
123.08040	2.1
123.11739	9.4
127.03923	6.2
129.06973	3.6
131.08559	15.6
133.10112	22.8
135.11691	22.6
137.09688	2.7
137.13289	3.0
143.08549	2.6
145.04968	5.8
145.10106	14.2
147.11678	11.2
149.09532	2.4
149.13237	11.9
157.10173	2.7
159.11703	9.6
161.13283	8.2
163.06036	7.1
163.14862	5.4
171.11694	3.5
173.13286	8.9
175.14838	6.0
177.16328	2.5
185.13252	3.6
187.14839	4.8
189.16371	2.2
199.14859	2.6
201.16428	2.2
213.16371	1.9
228.84549	2.2
241.19438	4.2
243.21089	7.6
259.20663	8.6
261.22153	22.7
263.23529	1.8
270.07138	1.9
298.49634	1.8
315.23224	1.8
317.24908	4.6
333.24130	8.7
335.25763	100.0
336.26166	7.9
337.27356	16.3
470.69507	1.8
489.35547	2.3
595.47388	15.9
596.46637	2.9
613.48273	16.2
954.57068	7.2
955.57092	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	956.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03434	0.7
71.32042	0.2
79.01848	6.3
81.03405	0.7
83.01318	0.2
91.19313	0.2
93.56637	0.2
97.02886	1.6
97.13633	0.1
99.04428	0.3
103.05450	0.3
107.01325	0.9
109.02882	1.3
111.04373	0.2
118.26722	0.2
120.33767	0.1
123.00817	0.2
125.02333	3.0
127.03914	5.4
127.04865	0.3
131.04936	0.5
132.25064	0.1
143.03394	6.5
145.04948	1.5
147.04434	0.4
151.03941	0.2
153.01817	100.0
153.02881	5.4
154.02148	2.8
154.03349	0.2
157.02780	0.2
159.04424	0.7
163.03978	0.8
171.02867	0.4
175.03938	0.4
177.05469	0.4
179.03444	0.4
187.03854	1.0
189.05411	0.3
191.03429	0.7
197.00774	0.2
201.01811	0.2
203.03474	0.5
205.04955	1.4
207.02885	0.4
213.01804	0.4
215.03375	0.7
219.02942	0.5
229.01254	0.5
231.02864	3.0
233.04428	2.6
237.03964	0.5
239.48386	0.2
241.01320	0.7
247.00243	0.2
247.02348	0.9
257.00851	0.8
259.02377	4.7
260.02618	0.3
261.03925	2.6
275.01862	2.4
276.02582	0.7
277.03412	17.4
278.03802	0.9
279.04974	2.0
279.68671	0.2
283.89468	0.2
285.00189	0.4
297.06070	0.8
303.01331	13.5
304.01660	0.8
305.02689	0.2
321.02399	0.6
363.03381	0.3
385.05460	0.4
403.06433	0.2
411.03168	0.2
429.04315	0.9
447.05508	1.1
455.01758	0.2
465.06403	0.3
494.48181	0.2
599.06903	1.2
600.05902	0.2
769.08441	0.5
988.24695	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	956.6289
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	82.4
68.05861	1.1
69.03429	4.0
69.07065	27.5
70.58984	2.2
70.60980	0.8
71.04990	3.0
71.08630	2.3
73.02921	5.6
77.03918	1.5
79.05492	45.9
80.05823	2.0
81.03396	2.1
81.07053	86.4
83.04975	2.2
83.08622	17.6
85.02904	23.3
85.06540	2.9
91.03954	17.4
91.05474	31.0
93.07040	49.5
95.04976	4.0
95.08605	71.7
96.08944	2.3
97.02879	12.5
97.06542	4.0
97.10149	6.8
99.08096	2.2
105.07028	23.6
107.08591	29.2
109.06550	1.0
109.10148	28.8
110.10486	1.6
111.08089	2.0
111.11736	1.6
113.09663	1.2
115.03903	1.3
117.07024	5.7
119.08584	17.3
121.10135	23.4
123.11697	13.0
125.09634	2.5
127.03920	9.2
129.06995	1.3
131.08563	10.9
133.10127	15.4
135.11685	18.9
137.09621	2.1
137.13283	5.5
139.11137	1.5
145.04956	8.8
145.10115	9.4
147.11688	12.6
149.09578	1.2
149.13251	12.1
151.11198	1.2
151.14832	2.9
157.10144	2.0
159.11659	7.9
161.13246	10.3
161.60576	1.1
163.05998	10.9
163.14792	7.5
165.12791	1.3
165.16417	1.6
171.11684	1.3
173.13264	8.0
175.14816	5.6
177.16386	2.3
182.60538	1.0
185.13237	2.6
187.14853	3.3
189.16364	2.3
199.14827	1.7
201.16420	1.5
203.17979	1.3
205.19397	1.1
213.16492	1.5
215.17889	1.4
219.21140	1.4
227.16396	1.0
228.00066	1.0
231.20990	1.3
233.22766	1.7
239.30742	1.1
241.19530	2.3
243.21133	10.6
245.22644	3.4
259.20605	6.7
261.22137	27.5
262.22534	1.9
263.23679	6.7
277.21725	1.9
279.23132	1.3
287.23694	1.7
301.25351	1.4
315.22961	1.1
317.24704	5.0
319.26361	1.4
321.23959	1.0
333.24167	6.0
334.24750	1.3
335.21609	2.2
335.25793	90.2
336.26077	6.2
337.27359	100.0
338.27710	6.4
339.28799	6.6
363.29163	1.0
383.33627	1.1
505.44427	1.7
523.44983	4.9
524.45728	1.3
541.45654	2.9
597.48694	39.9
598.48969	5.7
608.80573	1.3
615.49805	39.8
616.50165	6.2
771.38257	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	958.6448
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	45.1
69.03413	2.4
69.06704	1.1
69.07066	20.4
70.98458	1.1
71.04985	0.9
71.08611	1.5
73.02926	3.2
79.05492	16.6
81.03431	0.7
81.07053	51.5
82.07356	0.8
83.04996	0.9
83.08617	12.2
85.02902	11.7
85.06543	1.2
85.10146	1.0
91.03965	8.7
91.05470	10.6
91.06037	0.7
93.07040	17.7
95.04953	1.3
95.08602	39.7
97.02888	6.7
97.06522	3.0
97.10152	7.4
98.73299	0.6
99.04471	1.0
99.08098	1.6
105.07013	9.7
107.08593	12.8
109.06492	0.7
109.10152	16.8
111.08080	2.1
111.11721	2.0
113.09673	0.8
115.03926	0.7
117.07012	1.5
119.08583	7.3
121.10139	9.7
123.08064	1.1
123.11710	6.9
125.09560	0.7
127.03910	3.2
131.08566	2.9
133.10121	6.8
135.11697	6.9
137.09615	0.5
137.13287	3.0
139.11194	0.8
145.04938	4.8
145.10114	1.8
147.11684	4.1
149.13237	5.0
151.14793	2.0
159.11688	1.7
161.13261	4.1
163.06013	5.6
163.14816	4.2
165.16397	1.7
167.14240	0.6
173.13330	1.5
175.14813	3.3
177.16333	1.4
179.17879	0.9
185.13312	0.6
187.14850	1.1
189.16335	1.1
200.38470	0.6
205.19525	0.9
207.20982	0.8
233.22621	0.8
243.21043	4.3
245.22632	2.8
247.24300	0.8
261.22064	6.2
263.23718	6.7
265.25104	0.7
275.23825	0.7
289.25342	1.5
297.24368	0.7
317.24741	1.0
335.25827	7.9
335.29520	0.9
336.26248	0.7
337.27353	100.0
338.27698	5.5
339.28900	12.9
340.29379	0.6
525.46576	2.6
530.76282	0.6
533.41711	0.7
543.47632	2.1
547.43103	0.8
599.50287	34.3
600.50592	4.6
617.51306	33.5
617.60022	0.6
618.51630	3.9
703.73120	0.8
781.45020	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	958.645
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	63.2
67.36120	1.5
69.03452	2.7
69.06709	2.8
69.07069	43.8
71.04996	2.6
71.08617	3.9
73.02902	5.8
76.25660	1.5
79.05039	2.1
79.05492	32.1
81.07054	72.8
83.04974	2.0
83.08615	22.2
85.02905	21.1
85.06552	2.5
91.03956	16.2
91.05477	18.2
93.07047	36.1
95.04990	1.6
95.08604	58.5
97.02894	9.9
97.06522	4.5
97.10160	11.6
98.22557	6.1
99.04465	2.0
105.07013	10.8
107.08597	21.5
109.06507	2.3
109.10155	25.2
111.08109	2.8
111.11742	2.0
115.03980	1.6
117.06990	3.8
119.08569	9.6
121.10157	17.9
123.11718	11.1
127.03907	6.2
131.08574	6.9
133.10126	9.7
135.11658	13.5
137.13261	5.5
145.04913	6.4
145.10136	6.8
147.11674	5.4
149.13274	6.6
151.14865	3.0
154.16103	1.5
154.95558	1.4
158.81818	1.5
159.11716	5.9
161.13231	5.6
163.06044	8.1
163.14804	5.9
173.13216	2.4
175.14809	3.2
175.18016	1.7
177.16403	2.1
187.14719	2.4
195.62344	1.8
229.53690	2.3
243.21097	8.9
245.22565	3.5
261.22150	27.3
263.23752	7.1
265.25259	3.8
279.23013	1.5
288.76736	1.6
317.24786	2.7
335.25793	56.0
336.26089	5.1
337.27338	100.0
338.27686	6.0
339.28934	72.6
339.33118	2.6
340.29263	4.9
456.14853	1.5
525.46472	4.4
543.47412	2.6
599.50287	58.6
600.50397	8.0
617.41791	2.9
617.51306	44.7
618.51654	6.1
736.82172	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.5698
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	3.3
69.03427	2.9
69.05501	4.8
69.07073	0.7
69.37230	0.5
73.02916	3.4
77.19349	0.5
79.05492	3.0
79.13634	0.5
81.03407	1.0
81.07059	3.2
85.02908	5.2
91.03968	2.3
91.05491	1.6
93.07068	2.4
95.08632	2.5
97.02908	5.1
98.25036	0.6
101.02389	1.4
103.03964	0.6
105.07096	0.6
107.08603	1.2
109.02890	1.2
117.07017	0.5
119.08606	0.7
121.10179	1.2
123.83758	0.6
127.03941	1.5
145.04945	0.5
185.04256	0.9
243.08511	1.8
317.98959	0.5
347.09753	1.6
363.09378	0.7
405.13870	3.2
519.29346	5.3
681.34515	11.0
797.51569	1.2
855.61066	0.6
959.56952	100.0
960.57172	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	961.5849
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	3.6
69.03427	3.8
69.07074	1.2
70.50563	0.9
71.01341	1.0
71.30791	0.5
73.02911	4.8
76.06504	0.4
79.05496	3.1
81.03429	1.6
81.07044	5.2
83.08646	0.8
83.09959	0.4
83.98948	0.4
85.02904	7.6
87.04457	0.8
91.03953	3.9
91.05501	1.4
93.07038	2.8
95.08582	3.4
97.02887	5.8
99.04462	1.0
101.02355	2.5
105.07037	0.8
107.08604	1.3
109.02861	0.6
109.10159	1.0
119.08622	1.1
121.10152	0.8
123.11726	0.5
124.44175	0.4
127.03941	1.6
133.10175	0.4
135.11700	0.8
137.98122	0.4
157.32056	0.5
185.04262	0.8
203.05328	1.1
243.08452	2.5
311.23187	0.4
337.27429	0.5
347.09473	2.7
363.09467	0.4
365.10559	1.0
405.13629	6.3
519.29254	3.8
521.30548	2.7
681.34399	5.7
683.36273	6.0
799.53564	1.0
961.58514	100.0
962.58795	14.6
993.80469	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	962.6044
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05216	2.8
67.05511	28.2
69.03435	7.5
69.07072	25.8
71.04964	1.4
71.08638	21.5
73.02934	2.2
79.05492	22.7
81.03425	6.5
81.07057	27.8
83.04996	4.7
83.08623	17.0
85.02917	5.4
85.10178	12.9
89.06051	1.5
91.03955	2.5
91.05484	15.7
93.07044	17.0
95.04977	8.8
95.08604	25.1
97.02892	11.9
97.06535	2.8
97.10168	13.4
105.07031	14.2
107.04958	7.2
107.08613	11.2
109.06549	2.0
109.10159	14.5
111.04434	1.3
111.08044	1.5
115.05419	1.4
117.07039	5.6
119.08579	12.1
121.06500	3.8
121.10146	5.8
123.08056	4.2
123.11723	4.1
125.09628	11.3
127.03924	1.7
129.07007	3.3
130.18980	1.4
131.08560	8.2
133.06519	2.8
133.10121	4.5
135.08015	2.1
135.11699	3.3
137.09636	2.1
137.13252	1.3
143.08565	3.2
145.10083	6.6
147.08060	6.0
147.11606	2.8
149.09639	2.0
149.13228	1.5
157.10112	2.0
159.11700	2.5
161.09604	1.6
163.11209	2.8
165.09081	1.8
171.11630	2.2
177.12805	1.3
189.11218	3.0
189.12769	2.1
220.95006	1.3
223.13292	21.2
227.12688	5.2
228.84834	1.5
245.19040	1.9
249.14920	4.9
267.15958	2.9
273.18521	14.2
282.41891	1.4
291.19543	100.0
292.19809	4.8
313.27362	66.6
314.27634	4.9
347.22229	2.6
365.23248	49.5
366.23605	3.8
505.38791	2.0
523.39746	4.4
603.46204	81.9
604.46606	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	962.6039
Annotation	Unknow
Peak:m/z	Relative Intensity
67.04810	2.5
67.05193	3.8
67.05501	25.2
69.02862	2.5
69.03465	8.7
69.07063	21.4
69.07407	1.7
71.04984	1.2
71.08272	1.3
71.08632	13.7
76.47145	1.0
79.05491	19.9
81.03411	5.2
81.07050	21.0
83.04962	1.6
83.08612	11.8
85.02898	5.3
85.06576	1.6
85.10178	8.1
89.06005	1.0
91.05470	11.6
93.07040	14.4
95.04955	6.0
95.08604	18.7
97.02893	9.6
97.06544	2.0
97.10155	12.5
105.07031	8.3
107.04948	4.7
107.08591	9.4
109.06526	1.3
109.10146	9.7
111.08118	1.8
117.07014	5.6
119.04938	1.6
119.08569	7.5
121.06518	2.7
121.10155	3.0
123.08051	3.3
123.11700	3.0
125.09650	6.2
129.06981	1.3
131.08565	5.2
133.06511	3.3
133.10141	4.0
135.08034	3.0
135.11707	1.6
137.09625	2.4
139.50978	0.9
143.08623	1.3
145.06438	1.2
145.10138	2.8
147.08057	5.7
147.11655	2.4
149.09642	1.8
149.13268	2.0
157.10147	2.8
159.11725	1.2
161.09637	2.8
163.11186	2.0
175.11209	1.3
189.11218	2.8
189.12796	1.2
201.53659	0.9
205.12206	1.1
211.13351	1.3
217.46858	1.1
223.13252	15.2
227.12735	4.6
239.23550	2.5
245.19046	1.2
249.14868	3.0
257.24686	1.2
267.15952	2.1
273.18503	12.0
291.19525	86.9
292.19730	5.6
313.27347	76.2
313.46384	1.0
314.27820	5.0
347.22202	2.5
365.23212	59.2
366.23465	4.1
505.38776	1.6
523.39874	4.0
585.44696	1.8
603.46143	100.0
604.46387	12.6
819.47333	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.5999
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	3.2
69.03427	3.6
69.07068	1.5
69.59521	1.6
69.59867	0.5
71.05007	0.7
73.02910	3.7
79.05509	1.4
81.03413	1.8
81.07059	3.4
82.86862	0.3
83.08630	0.6
85.02897	5.8
85.03378	0.4
89.53291	0.3
91.03417	0.5
91.03938	2.7
91.05496	1.0
93.07059	0.9
95.08592	2.4
97.02887	5.4
97.10162	0.5
98.47487	0.3
99.04481	0.9
101.02377	1.6
105.07037	0.7
109.02907	0.9
109.10161	0.7
115.04008	0.4
116.81046	0.3
119.08598	0.7
121.10173	0.9
126.93742	0.3
127.03964	1.3
185.04207	0.8
203.05344	0.6
243.08409	2.3
259.08041	0.4
337.27560	0.6
347.09390	1.7
363.09238	0.4
365.10703	0.9
405.13641	5.5
521.30713	5.0
522.31299	0.5
683.36053	13.2
684.36646	0.8
770.71405	0.4
801.55017	1.3
963.60034	100.0
964.60358	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	964.6198
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	44.6
67.05867	2.2
67.53577	1.1
69.03440	6.8
69.07072	23.3
70.82586	1.8
70.82933	2.2
71.04984	3.2
71.08629	26.0
73.02924	2.6
78.47153	1.1
79.05492	33.7
81.03422	11.1
81.07056	67.0
81.11478	1.1
82.07369	1.2
83.04974	8.6
83.08614	17.5
85.02901	12.2
85.06544	2.4
85.10175	13.3
89.06038	1.6
91.03945	4.5
91.05473	29.3
93.07043	39.9
95.04976	7.9
95.08603	37.2
97.02882	7.5
97.06525	9.9
97.10178	8.2
99.04459	1.6
99.08102	2.0
105.04468	1.4
105.07034	19.7
106.49614	1.2
107.04962	7.1
107.08591	23.4
109.02897	2.3
109.06523	4.2
109.10148	13.6
111.08064	5.1
111.11709	2.4
115.05495	1.3
117.07021	11.1
119.08572	12.8
121.06498	4.7
121.10138	13.5
123.08070	2.6
123.11734	6.1
125.09617	1.8
127.03925	4.5
128.06238	1.2
129.05478	1.9
129.07030	3.4
130.07712	1.7
131.08572	12.2
133.06549	2.1
133.10123	15.1
135.08101	3.0
135.11678	12.1
137.09607	1.6
137.13307	1.2
139.11208	1.3
143.08588	2.7
145.04924	3.2
145.10150	7.3
147.11684	5.0
149.09608	9.7
149.13269	10.1
151.11174	2.4
151.14964	1.1
153.09216	1.4
154.89696	1.0
155.08542	1.6
157.10048	1.8
159.11681	7.6
161.09677	1.5
161.13284	2.3
163.11221	4.7
165.12881	1.2
169.10161	2.0
171.11636	2.5
173.04506	3.0
173.09613	1.3
173.13249	2.9
175.11162	1.2
175.14763	1.6
177.12755	3.6
179.14226	1.5
183.11667	2.0
189.11066	1.4
193.12247	1.1
195.13800	6.2
227.12811	3.1
229.14249	1.5
239.18005	1.4
239.23619	1.5
247.20526	2.0
251.16513	2.8
255.15912	12.0
257.18997	5.8
257.24753	2.9
269.17468	46.9
275.20062	20.5
276.20322	1.5
293.17429	1.5
293.20892	2.3
303.16055	1.4
309.20636	1.7
313.27359	88.4
314.27728	4.6
331.22733	1.8
349.23758	18.4
350.24112	1.2
367.24799	5.5
478.14227	1.1
493.38898	15.2
494.39197	1.8
497.53165	1.5
507.40445	100.0
508.40591	10.2
547.43274	2.8
567.86139	1.3
587.46637	28.8
588.46960	2.8
605.47845	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	968.5049
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	100.0
69.03427	15.6
69.07066	44.8
69.18106	11.4
71.01339	2.8
71.04988	8.2
73.02913	10.5
79.05490	73.4
80.06281	1.4
81.02952	2.7
81.03413	34.1
81.07053	72.0
82.03765	1.6
82.04179	6.1
83.04975	26.4
83.08608	21.2
85.02902	20.1
85.06538	5.6
91.03949	7.3
91.05474	73.8
93.07040	55.2
94.04173	1.6
95.01324	1.6
95.04970	30.5
95.05592	1.5
95.08019	2.9
95.08602	45.7
96.05755	2.3
97.02890	17.3
97.06518	21.7
97.10162	24.4
98.07309	5.6
99.04448	4.9
99.08064	2.2
101.06046	2.0
103.05468	3.0
105.04510	3.7
105.07027	45.4
105.07740	2.6
107.04951	20.1
107.08589	33.1
109.02857	4.2
109.06516	11.3
109.10147	48.6
110.10488	1.5
111.04415	4.1
111.08093	14.0
113.05983	2.6
113.09644	1.9
115.05454	3.6
116.04695	12.0
117.07008	19.4
119.08582	33.2
119.62315	1.4
121.06480	7.9
121.10143	19.7
123.08066	12.8
123.11684	4.8
125.05991	2.0
125.09631	25.3
127.03902	6.8
127.07520	1.7
127.11162	3.0
127.36579	1.5
128.06186	2.3
129.04553	2.6
129.05470	30.3
129.06958	12.0
129.07883	1.9
130.07758	2.8
131.08554	25.3
133.06505	4.7
133.10127	30.3
133.89142	1.2
134.10446	1.6
135.08078	7.3
135.11694	13.0
137.09604	18.6
137.13304	1.4
141.06981	1.5
142.07793	1.8
143.06993	6.2
143.08533	5.6
145.04958	3.0
145.06409	2.6
145.10130	19.9
146.10861	1.9
147.08101	6.9
147.11687	17.0
149.09608	21.0
149.13254	7.1
151.03920	2.5
151.11162	5.5
153.09079	3.3
154.35500	1.3
155.10666	3.9
157.08603	12.7
157.10112	11.7
159.08089	2.0
159.11702	11.7
161.09576	3.5
161.13260	5.8
163.11174	16.5
164.08305	1.4
165.12769	3.4
167.10637	1.7
169.10129	2.6
169.12280	1.7
171.06514	2.4
171.10170	7.7
171.11705	4.4
173.04419	1.8
173.09589	2.3
173.11755	14.4
173.13234	3.8
175.11160	9.4
175.14841	1.3
177.12773	3.7
179.10690	1.5
179.14308	3.4
181.12239	3.2
183.11671	3.9
185.07985	1.6
185.11757	1.8
185.13286	2.1
187.11208	2.9
187.13284	2.1
189.11197	8.3
189.12761	2.4
191.10640	3.3
191.14355	1.8
193.12209	11.4
195.13762	2.7
197.13243	2.8
199.13235	12.1
200.14073	4.3
209.11722	8.1
210.12503	3.2
211.13275	11.7
223.13297	2.3
227.12778	16.5
229.14348	19.0
233.15465	1.8
243.15919	3.1
245.18979	2.0
247.20599	1.9
253.14159	2.0
255.15883	6.3
257.18991	6.4
263.20035	1.6
267.15894	10.5
269.17514	3.1
273.18506	5.5
275.20053	33.6
276.20023	1.7
283.15533	6.0
283.18399	1.5
285.16962	6.0
291.19510	9.4
293.21127	3.5
297.17087	1.4
301.16434	64.8
302.16907	2.7
311.22238	1.7
326.24527	2.2
347.22217	2.0
349.23721	30.8
365.23297	3.8
383.24243	1.8
397.22159	4.7
421.25424	1.8
423.27600	2.0
439.26852	2.4
455.26352	16.4
469.27582	2.4
479.29968	5.1
481.27780	1.8
503.33127	2.1
541.35028	2.0
557.34326	3.3
575.35669	31.2
576.35858	4.2
593.36664	3.3
609.36035	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	970.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99767	0.5
69.03429	5.5
71.01362	0.3
71.04971	0.6
71.19397	0.2
71.33393	0.3
72.39506	0.3
73.02881	0.3
77.03961	0.3
79.01830	0.5
81.03409	3.8
83.01338	2.9
85.02454	0.3
85.02896	4.0
91.05447	0.4
95.01321	0.3
97.02885	2.1
99.04446	2.4
101.02344	0.2
103.05426	0.7
109.02878	2.7
111.00763	0.7
113.02346	0.4
119.04929	0.3
119.50983	0.2
123.00772	0.5
125.02325	0.4
127.03899	4.1
129.03319	0.4
131.04901	0.6
139.00250	3.0
139.74290	0.2
145.04933	1.5
147.04460	1.2
153.01813	7.4
153.03026	0.6
157.01291	1.1
157.02814	0.8
160.21104	0.3
162.07628	0.2
163.03932	0.3
169.01309	3.3
173.02356	0.7
175.03889	1.8
185.00783	3.2
185.02345	1.1
186.01491	0.4
187.03894	4.9
189.01781	0.6
191.03372	0.5
199.03976	0.4
201.01736	1.4
202.02602	0.2
203.03358	3.7
207.02908	0.3
213.01804	4.0
215.03363	4.5
217.01337	0.6
218.02052	0.6
219.02895	0.6
225.05347	0.3
227.52722	0.2
229.01347	2.6
230.02106	0.2
231.02866	20.7
232.03375	1.1
235.03865	0.3
237.49254	0.2
239.03386	0.3
241.01295	4.0
241.05005	0.4
242.01682	0.4
245.00813	0.7
247.02361	2.7
251.03404	0.5
257.00772	6.0
257.03809	0.4
259.02359	35.0
260.02972	3.3
261.03915	0.8
267.02982	0.6
269.00723	0.4
269.04462	0.7
275.01825	5.2
276.02435	0.8
277.03400	100.0
278.03760	4.4
279.02759	0.6
281.04495	0.4
283.31778	0.3
285.00345	4.3
285.03592	0.5
286.01099	1.4
287.01840	3.9
289.03262	0.7
295.02332	0.8
297.03989	1.4
299.01941	0.3
300.99692	0.4
303.01318	46.9
304.01572	2.5
305.00711	1.1
307.02213	1.3
312.99658	1.2
313.03363	0.9
315.01324	1.5
315.04694	0.5
321.02411	3.3
323.01804	1.8
325.03391	0.8
327.01028	0.4
328.99222	1.1
335.01633	0.3
337.03461	0.3
339.01379	0.4
341.02982	1.0
343.04364	0.5
345.02469	0.4
351.01352	0.7
353.02908	0.9
355.04465	0.4
363.01202	1.4
369.02286	0.6
371.03937	0.8
379.00821	2.6
381.02371	3.1
385.05521	0.5
387.03354	1.0
391.00687	0.5
397.02029	0.6
399.03522	0.6
407.00287	5.3
408.00919	0.4
409.01868	2.4
411.03656	0.4
423.12558	0.2
425.01544	0.5
427.02942	9.5
428.03049	0.5
429.04440	0.5
434.99677	3.6
436.00153	0.4
445.03925	0.8
447.05542	0.7
453.00861	34.7
454.01270	2.7
465.06653	2.3
471.01901	17.2
472.02173	1.1
483.07559	0.8
489.02966	1.0
615.06537	1.2
674.21265	0.3
708.30035	0.3
935.07617	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	970.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99750	0.6
69.03429	4.4
69.46177	2.4
71.01331	0.8
71.04971	0.4
73.02861	0.4
81.03416	4.3
83.00935	0.3
83.01338	4.1
85.02903	4.1
87.78973	0.4
90.83392	0.4
91.05463	0.5
95.01297	0.5
97.02911	2.4
98.22598	0.5
99.04432	2.1
101.02347	0.5
101.03931	0.4
103.05454	0.9
109.02877	2.9
109.88679	0.3
111.00769	1.3
119.04893	0.5
119.34724	0.3
123.00782	0.6
127.03896	3.9
129.03360	0.4
130.98512	0.3
131.04907	0.8
132.25845	0.4
139.00237	5.3
143.03271	0.3
145.02814	0.6
145.04881	1.3
147.04364	1.4
153.01820	6.2
155.51031	0.4
157.01280	1.5
157.02762	0.9
161.02167	0.5
163.03864	0.5
166.99660	0.7
169.01340	4.0
171.04350	0.9
173.02426	0.4
175.03886	2.6
178.57381	0.4
179.03467	0.4
185.00777	4.4
185.02333	1.4
186.01532	0.5
187.03912	5.8
189.01799	0.9
191.03322	0.6
199.03885	0.6
201.01826	2.1
203.03349	4.5
204.04121	0.5
205.01309	0.5
209.63974	0.4
213.01825	4.0
213.05269	0.4
215.03378	5.1
217.01257	1.0
218.02025	0.6
219.02924	0.5
229.01295	2.2
230.02042	1.0
231.02872	23.1
232.03442	1.4
239.03339	0.5
241.01279	4.6
241.04956	0.7
243.02882	1.5
245.00742	1.3
245.04303	0.4
247.02286	2.4
247.36172	0.4
251.03374	0.6
257.00800	4.8
257.04288	0.5
259.02359	38.3
260.03061	5.5
261.03897	6.0
267.02847	1.0
269.04401	1.3
273.00284	0.9
275.01837	5.1
276.02521	1.3
277.03403	100.0
278.03784	4.3
279.02780	0.4
281.04526	0.5
281.46976	0.4
285.00323	4.3
285.03561	0.6
286.01056	1.7
287.01837	6.4
289.03452	1.5
295.02341	0.6
297.04007	3.2
299.01962	1.0
300.99930	0.8
301.03311	0.5
302.00586	0.9
303.01318	46.5
304.01697	1.8
305.00543	0.9
307.02325	1.6
312.94537	0.4
312.99725	1.2
313.03452	1.7
315.01328	3.2
315.04706	0.8
321.02301	3.2
323.01859	3.7
325.03384	1.3
327.01376	0.5
328.99240	2.2
329.02765	0.7
335.01941	1.0
337.03558	0.6
341.02759	1.7
343.04398	1.2
345.02365	1.5
351.01300	0.9
353.02863	2.7
357.02332	0.5
363.01324	1.3
365.02930	0.5
369.02255	1.9
371.04053	1.8
379.00751	2.9
380.01028	0.6
381.02365	5.3
383.04056	0.7
385.05621	0.5
387.03522	1.7
391.00845	0.9
397.02039	2.0
399.03555	0.9
407.00278	6.9
408.00772	0.6
409.01828	3.9
410.02234	0.5
411.03406	0.8
425.01370	1.0
426.02139	0.8
427.02939	27.9
428.03287	1.8
429.04440	0.7
434.99759	4.8
445.03995	4.1
447.05450	1.3
453.00845	55.9
454.01248	3.0
465.06998	1.7
471.01941	27.6
472.02435	2.1
489.03024	0.5
579.03699	0.5
597.05133	1.1
615.06177	5.5
633.07214	0.9
929.45074	0.5
935.07794	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	970.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03411	1.1
69.39059	1.2
69.39481	1.5
81.03404	1.2
83.01351	2.0
85.02886	1.6
96.99149	0.4
97.02940	0.9
103.03915	0.5
109.02898	0.6
111.00769	0.6
115.05437	1.4
119.04989	0.4
127.03918	0.8
131.04927	0.7
139.00266	2.1
139.26978	0.4
143.04955	0.6
147.04396	0.7
152.69774	0.4
152.88277	0.4
153.01819	3.9
155.04929	0.5
157.01344	0.6
157.06438	0.4
159.04449	1.1
169.01308	2.9
171.04419	3.4
173.02293	0.8
175.03937	1.3
175.68483	0.4
177.05391	0.8
181.02838	0.4
183.04428	0.7
185.00804	1.8
185.06009	1.2
187.03922	3.9
189.05441	0.9
191.03331	0.5
197.05899	0.6
199.03883	5.4
201.01819	1.5
203.03418	1.9
205.04964	0.9
209.02286	0.6
211.03896	1.7
213.01849	1.0
213.05437	2.4
214.92923	0.4
215.03351	5.8
217.01370	0.5
217.04941	1.7
218.02191	0.6
219.02940	0.6
223.03975	0.7
227.03384	6.0
229.01367	1.6
229.04945	0.9
231.02890	6.5
232.03511	1.1
233.04468	0.9
237.01901	0.7
237.05334	0.6
239.03410	1.3
241.01384	1.1
241.05093	1.9
243.02879	8.1
244.03226	0.6
245.00696	0.5
245.04375	3.0
247.02277	2.3
249.10915	0.4
251.03345	0.5
253.04929	0.6
254.01782	0.4
255.02876	7.9
256.03030	0.5
257.00797	2.2
257.04529	0.7
259.02393	10.3
260.03064	2.6
261.03928	4.8
265.04904	0.5
267.02859	1.4
269.01785	0.5
269.04456	3.4
271.02353	10.8
272.02728	0.4
273.03915	8.1
275.01849	3.6
276.02530	0.7
277.03409	20.3
278.03729	0.8
279.21613	0.5
281.00540	0.4
281.04443	0.6
283.02377	7.3
284.02988	0.5
285.00323	1.5
285.03717	0.7
286.01154	1.1
287.01855	4.4
287.05392	1.0
289.03409	10.2
290.03745	0.8
295.02356	0.7
297.00494	0.6
297.03891	4.9
298.04257	0.6
299.01862	24.1
300.02185	1.3
301.03409	20.8
302.00638	0.7
302.03540	0.7
303.01337	22.8
303.04645	1.1
304.01688	1.0
305.02969	2.4
307.02246	1.0
311.01981	0.6
311.05609	0.8
313.00006	0.8
313.03378	3.2
315.01318	6.5
315.04999	4.4
316.01926	1.1
317.02863	6.0
319.04657	0.5
321.02563	1.3
323.01770	2.2
325.03421	1.3
327.01352	10.0
327.04883	0.7
328.99231	1.5
329.03009	1.3
331.00674	1.0
337.03104	0.5
339.01364	0.8
339.04935	0.9
341.02814	3.3
343.01019	0.5
343.04489	7.6
345.02393	100.0
346.02692	5.7
353.02908	1.0
355.04456	1.5
363.03595	1.0
365.03000	0.7
367.04541	1.2
369.02304	4.8
371.03995	0.8
379.00812	1.7
381.02423	3.5
383.03726	0.5
385.05548	1.8
387.03641	0.9
397.01752	1.0
399.03406	0.8
407.00354	3.5
409.01929	1.8
410.02151	0.4
411.03604	2.0
425.00778	0.4
427.02997	9.6
428.03061	0.4
429.04660	1.0
434.99771	1.7
445.04144	1.0
447.05637	4.6
453.00870	15.7
454.01230	1.3
465.06595	2.4
471.01941	10.0
472.02039	1.0
573.04663	0.6
615.05811	1.0
671.88135	0.6
793.58838	0.4
901.55688	0.4
987.27594	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.5888
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03434	9.5
69.06716	2.6
69.07066	31.2
69.07833	4.7
69.08253	9.4
71.04996	2.1
73.02909	2.1
75.14873	1.5
79.05490	59.6
79.05957	3.3
81.03419	9.8
81.07056	55.1
83.04982	4.6
83.08619	12.3
85.02894	3.0
85.06551	2.0
85.44326	1.5
91.03943	1.9
91.05479	38.8
93.07044	47.0
95.04956	10.5
95.08025	2.7
95.08604	40.0
97.02888	12.4
97.06519	4.7
97.10160	13.0
103.05480	2.7
105.07022	21.6
107.04945	6.1
107.08589	25.8
109.02865	2.2
109.06511	5.1
109.10155	16.4
112.60951	1.5
117.07037	9.9
119.08581	19.4
121.06497	4.1
121.10131	18.9
123.08051	2.9
123.11674	2.9
125.09618	9.3
128.06241	1.6
129.07030	4.5
131.08588	11.9
133.06493	3.0
133.10112	10.6
134.07249	1.8
135.08043	2.1
135.11684	8.4
137.09663	2.4
137.13248	1.5
143.08563	4.2
145.06483	1.7
145.10110	8.2
147.07956	7.4
147.11697	8.1
149.09564	1.9
149.13243	5.1
157.10004	2.1
159.11655	6.1
161.13304	3.9
163.11140	2.8
171.10132	1.7
173.13232	2.4
175.11234	2.4
189.11180	5.5
205.12213	2.4
211.13237	2.9
223.13237	19.6
227.12767	3.4
243.21071	3.6
249.14900	3.1
255.17619	1.8
261.22046	5.7
263.19971	1.4
267.15836	2.9
273.18433	12.5
291.19528	92.5
292.19907	2.3
317.24753	2.4
335.25790	78.2
336.26013	3.6
347.22235	1.8
362.65866	1.8
365.23257	40.6
366.23587	2.6
455.63193	1.4
477.28470	2.1
527.37268	2.2
533.39270	1.6
545.38556	3.3
607.43390	3.0
608.97729	1.7
625.44604	100.0
626.44629	8.5
984.55475	2.3
985.54321	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	984.5884
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03433	8.0
69.07069	24.7
71.31516	1.8
71.31910	1.5
73.02920	1.5
77.03902	1.6
77.14091	1.1
79.05039	2.5
79.05486	33.6
79.98052	1.4
81.03412	8.3
81.07057	39.9
83.04974	4.6
83.08612	7.8
83.53171	1.2
85.02897	4.8
85.06522	1.8
91.03936	1.8
91.05477	24.0
93.07040	33.0
94.25266	1.3
95.04958	8.1
95.08601	28.1
97.02895	9.8
97.06525	3.9
97.10176	10.0
105.04504	1.7
105.07027	17.5
107.04949	4.1
107.08603	18.1
109.02892	1.4
109.06490	3.0
109.10166	12.1
111.08077	4.2
116.46346	1.3
117.07017	7.6
119.04924	1.3
119.08582	12.8
121.06480	4.3
121.10143	13.6
123.08059	1.9
123.11697	3.0
125.09584	8.5
129.07076	3.4
131.08548	12.5
133.06502	2.0
133.10117	7.8
135.08069	5.7
135.11723	7.6
137.09633	3.1
140.65115	1.2
143.08580	4.7
145.10130	9.1
147.08061	4.5
147.11668	5.9
149.09607	2.0
149.13234	3.4
151.11212	1.3
157.10106	2.7
159.11700	5.0
161.09621	2.9
161.13295	3.0
162.90961	1.1
163.11157	1.5
163.14757	2.2
169.10153	1.6
169.12260	1.4
173.09639	1.7
173.13281	3.0
175.11270	4.2
176.96991	1.3
187.14761	2.0
189.11200	4.1
193.12193	3.2
195.13858	1.2
223.13315	16.9
227.12796	3.6
243.21114	2.2
249.14742	3.6
255.17319	1.4
261.22079	8.5
267.15961	2.1
273.18524	14.4
285.16830	1.2
291.19540	100.0
292.19843	3.8
317.24847	3.3
335.25781	67.7
336.26260	3.5
347.22171	2.2
365.23260	55.9
366.23828	2.9
477.28638	2.3
545.38049	5.4
625.44598	73.4
626.44855	7.9
984.55127	4.2
985.55975	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	986.6046
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03437	12.2
69.06711	2.3
69.07069	29.2
71.04987	6.5
71.31415	3.1
73.02914	4.1
77.03895	2.2
79.05490	80.7
80.05834	3.0
81.03416	16.9
81.07054	100.0
82.07387	2.9
83.04990	11.2
83.08612	13.9
85.02901	12.4
85.06518	4.1
91.03953	4.5
91.05479	66.8
93.07045	79.0
94.07356	3.1
95.04963	13.5
95.08603	61.7
97.02875	11.8
97.06503	10.4
97.10172	7.0
99.04454	2.6
99.08092	3.4
103.05445	2.0
105.04475	2.5
105.06342	3.4
105.07023	45.2
107.04964	6.3
107.08591	48.6
109.02896	2.4
109.06526	5.9
109.10150	24.5
111.08087	5.0
115.05467	3.3
117.07015	19.9
119.08576	34.3
121.06498	5.0
121.10142	28.3
123.08080	2.6
123.11710	7.7
125.09632	5.6
127.03912	4.9
129.06985	10.6
130.07811	2.1
131.08559	26.9
133.06480	2.2
133.10127	30.5
135.08029	3.6
135.11687	23.6
137.09610	2.6
139.11247	2.1
141.07047	3.6
143.08537	8.2
145.05035	2.4
145.06541	2.3
145.10121	18.9
147.07999	2.0
147.11688	13.3
149.09631	9.5
149.13234	12.2
151.11150	2.9
155.08562	2.2
157.10153	6.6
159.11688	19.0
161.09546	1.9
161.13237	7.7
163.11166	6.1
163.14888	3.0
169.10080	3.0
171.11673	6.0
173.04480	2.9
173.11879	3.1
173.13278	9.3
175.14726	2.8
177.12720	3.1
179.14282	2.6
183.11717	4.8
185.13222	8.1
187.14818	3.2
189.11183	2.5
195.13774	3.1
197.13260	2.6
199.14777	2.5
201.16425	2.3
219.17461	2.5
221.28224	2.0
227.12769	5.2
229.14369	5.9
229.19716	1.8
239.17914	4.1
243.20993	2.7
247.20845	1.7
255.15910	3.4
257.18936	5.5
261.22156	11.8
267.15811	3.4
269.17465	15.4
275.20062	26.0
277.21704	2.6
293.21344	2.4
308.92770	1.6
309.20523	2.7
317.24893	2.3
331.22345	2.3
335.25793	94.2
336.26004	6.4
349.23706	21.3
353.27426	2.1
367.24496	4.0
489.35388	3.3
515.37170	11.6
529.38867	58.1
530.39117	7.0
569.41919	12.4
609.45135	34.1
610.44879	4.6
627.46106	11.8
673.42023	2.1
888.49841	2.1
986.56573	5.8
987.55103	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	989.5439
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	2.5
69.07066	0.9
69.32929	0.8
69.33344	2.3
71.01366	0.5
73.02600	0.4
73.02905	2.2
79.05497	2.3
81.03437	1.3
81.07054	1.9
83.04984	0.6
83.08623	0.6
85.02901	3.5
91.03977	2.1
91.05501	1.2
93.07047	2.0
95.04945	0.4
95.08598	2.1
97.02891	4.6
99.04490	0.7
101.02412	1.2
105.07058	0.9
107.08606	1.0
109.10133	0.5
119.08620	0.9
121.10176	1.1
127.03953	0.7
133.10178	0.5
135.11771	1.0
139.91978	0.4
145.10097	0.5
205.10832	0.4
223.13138	0.4
243.08475	1.6
259.08136	0.4
291.19675	1.0
308.57468	0.4
324.62460	0.4
331.19086	1.1
347.09491	1.3
365.10468	0.8
405.13660	2.8
519.29138	2.2
547.57550	0.5
549.26807	1.3
632.27045	0.4
681.34515	10.8
682.35382	0.8
711.32123	3.2
721.79877	0.5
827.48999	1.6
989.54352	100.0
990.54590	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	991.56
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03425	2.3
69.07071	0.7
70.99379	1.4
73.02921	2.3
79.05508	3.8
81.03419	2.6
81.07047	3.4
83.04977	1.0
85.02908	5.9
86.43649	0.7
91.03959	2.3
91.05483	1.7
93.07047	3.9
95.08620	2.9
97.02888	4.4
99.04438	0.9
101.02378	1.7
105.07033	0.7
106.34834	0.6
107.08601	1.5
119.08580	1.4
121.10179	1.4
127.03930	1.5
135.11670	0.8
179.14227	1.1
185.04256	0.9
243.08514	2.2
333.20282	0.8
347.09296	1.0
348.82690	0.7
405.13672	4.0
451.89267	0.8
519.29364	3.0
535.28784	2.7
551.28467	1.1
635.18695	0.8
644.86151	0.7
681.34631	5.8
682.34479	0.9
697.34351	2.5
713.33472	2.2
829.50940	1.4
991.55951	100.0
992.56244	17.6
1024.86182	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.561
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	2.7
69.37684	6.3
73.02930	2.7
79.05495	2.9
81.03415	1.9
81.07064	2.4
84.30489	0.9
84.74952	0.8
85.02901	4.4
91.03947	1.5
91.05468	1.5
93.07051	3.3
95.08615	1.9
97.02883	4.0
98.22572	2.0
99.04459	1.7
101.01279	1.0
101.02386	1.1
105.25934	0.9
107.08562	1.6
109.02863	1.1
119.08546	1.4
121.86346	1.0
127.03871	1.6
139.44725	1.0
243.08504	2.0
347.09576	2.3
405.13712	3.5
461.95535	1.0
519.29559	3.1
542.42865	1.0
681.34320	4.7
713.33105	3.1
990.61340	1.8
991.56110	100.0
992.56061	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	996.6098
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	5.5
69.07069	11.5
71.01357	1.6
71.04984	3.4
71.08627	22.2
73.02921	4.0
73.88786	1.0
79.05487	16.0
81.03422	10.3
81.07055	31.3
83.04971	7.2
83.08613	17.2
85.02899	19.8
85.06550	1.4
85.10172	15.7
87.04468	4.0
89.06026	1.4
89.87846	1.1
91.03958	8.6
91.05468	9.6
93.07048	8.8
95.04961	3.1
95.08602	28.6
97.02896	9.5
97.06528	3.2
97.10166	15.0
99.04461	2.0
99.11717	1.7
105.07021	4.2
107.04962	3.7
107.08576	7.5
107.89278	1.0
109.06512	2.0
109.10150	55.9
110.10455	1.1
111.08080	3.5
111.11751	1.3
117.06997	1.5
119.08585	7.4
121.10147	3.7
123.08066	2.0
123.11694	4.4
125.09618	12.9
127.03896	3.2
127.11267	1.2
129.05470	2.3
129.07021	1.1
131.08565	1.8
133.10118	1.4
135.11681	3.3
137.09647	2.1
137.13179	2.3
143.10672	2.3
145.04956	3.3
145.10152	3.6
147.08052	1.2
152.87149	1.1
153.12723	3.7
155.10674	1.9
163.05992	1.9
163.11160	7.3
173.09671	1.7
173.10187	1.4
173.11729	13.7
181.12199	2.0
191.10620	2.1
193.12297	2.9
199.13283	7.0
209.11774	4.8
227.12778	8.2
228.79213	1.2
229.14336	47.0
230.14595	2.0
239.23732	5.0
257.13934	1.2
257.24936	1.3
265.14505	1.6
267.15875	5.0
283.15482	4.3
301.16431	16.4
313.27353	100.0
314.27734	5.8
341.26816	3.8
399.23688	14.2
437.36172	3.2
455.37476	8.1
467.37317	36.2
467.89343	1.4
468.37689	1.7
505.38412	2.4
521.38123	1.9
523.40027	1.5
539.39398	12.4
557.40448	3.8
637.36841	1.7
637.46783	31.5
638.46661	5.1
875.29034	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.7087
Annotation	Unknow
Peak:m/z	Relative Intensity
96.95979	0.2
98.22545	0.4
98.24119	0.2
124.77483	0.2
135.05000	0.2
144.82994	0.2
186.94402	0.2
196.95938	0.2
202.66945	0.2
217.28476	0.2
274.45593	0.2
320.52051	0.2
336.85025	0.2
394.15439	0.2
407.32892	0.3
409.31265	0.3
439.32095	0.6
469.33347	2.2
470.34030	0.8
471.34811	100.0
472.35172	11.5
529.35370	60.6
530.35767	7.9
553.07867	0.2
577.36572	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1003.3097
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	2.6
73.02948	0.9
79.01868	0.6
83.01385	0.8
84.81627	0.4
85.02963	1.4
89.02449	1.5
95.01391	1.9
97.02978	0.5
101.02477	1.2
107.01381	4.1
108.02188	16.0
108.02935	0.8
109.02981	7.4
109.35574	0.5
111.00902	1.5
113.02461	0.9
123.00907	9.2
123.04540	1.8
124.01655	0.6
125.02465	13.1
136.98773	0.7
139.00395	3.0
140.01151	1.5
141.01909	0.7
151.00383	7.9
152.01166	18.0
153.01955	8.1
153.09178	0.8
161.04503	0.5
163.04004	0.6
165.01962	0.5
167.03508	4.1
168.00658	4.0
168.99989	0.9
169.01437	16.3
177.01985	0.5
181.05008	0.4
200.08931	0.4
205.12309	0.9
209.04559	0.4
211.02524	4.4
223.09770	1.4
271.04721	3.8
282.38342	0.4
297.06290	2.1
311.07791	1.2
313.05728	1.8
315.07248	1.2
316.02231	1.1
317.02814	0.4
403.15997	0.7
421.11023	0.6
433.07510	0.8
435.43188	0.5
463.08923	1.7
464.08786	1.2
465.10361	38.7
466.10748	3.8
537.19812	100.0
538.20135	13.2
539.18188	1.3
575.13269	0.6
740.53094	0.5
864.53430	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1013.6476
Annotation	Unknow
Peak:m/z	Relative Intensity
73.13074	0.4
94.30884	0.4
96.96027	0.5
108.15914	0.5
119.90481	0.5
169.95158	0.4
263.12466	0.4
379.29953	0.5
394.13666	0.4
403.04181	0.4
407.18115	0.4
409.31274	1.8
485.32730	0.5
487.34329	100.0
488.34650	11.9
488.40054	0.3
497.69583	0.4
520.44702	0.5
533.01544	0.5
1013.64978	38.1
1014.65088	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	1017.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
70.91834	0.8
71.01392	3.6
83.01389	2.5
85.02939	1.9
89.02441	1.2
93.03473	1.2
93.49922	1.1
95.01353	0.7
101.02454	1.8
107.01396	9.1
109.02966	4.4
113.02458	2.0
119.03501	0.9
121.02969	7.1
123.00867	1.1
125.02457	5.5
128.48698	0.6
135.00899	0.9
140.01141	0.7
148.42834	0.6
149.02472	0.8
151.00377	28.9
152.00729	0.7
159.04544	0.5
161.02411	0.9
163.00386	4.9
163.11263	1.4
164.01141	1.0
167.05034	0.8
169.01466	4.3
175.02580	0.9
175.04002	1.1
178.99864	13.4
180.00299	0.6
183.04590	1.3
187.03964	1.6
193.01540	0.5
199.03923	0.7
201.05507	0.7
203.99509	0.7
206.47066	0.6
207.10226	3.6
211.04059	2.1
218.83580	0.6
227.03537	1.9
229.05003	1.7
239.03482	0.9
243.03012	0.9
245.04594	3.2
255.02985	5.6
257.04697	0.7
271.02359	0.9
273.04074	2.6
283.02582	3.2
289.07208	0.8
299.01984	0.9
300.02811	0.7
301.03537	100.0
302.03821	6.8
387.16675	9.3
388.16830	0.7
407.07834	0.8
477.06744	56.9
478.06857	4.4
479.15216	0.8
539.17725	40.5
540.18158	4.3
710.89258	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1017.7042
Annotation	Unknow
Peak:m/z	Relative Intensity
78.62262	2.0
90.26113	1.8
99.86950	2.2
115.18078	1.9
118.87755	2.0
122.78138	1.8
148.38321	1.9
160.04059	1.8
290.00928	2.1
372.22623	2.2
373.27521	3.5
405.31018	2.8
407.33347	2.4
425.34424	2.9
439.32361	2.5
452.32294	2.7
457.51416	2.2
469.33310	10.1
470.33621	2.2
485.32404	5.5
486.33011	6.4
487.34360	100.0
488.34689	10.5
529.35419	60.7
530.35876	11.1
637.20209	2.2
652.55853	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	1017.7172
Annotation	Unknow
Peak:m/z	Relative Intensity
75.02575	0.3
77.67170	0.4
80.01258	0.3
81.16656	0.4
84.23544	0.3
86.70502	0.4
93.64818	0.4
98.21771	0.5
121.10099	0.4
123.74017	0.4
134.25757	0.4
497.36511	5.3
776.62701	0.5
1017.71716	100.0
1018.71899	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	1019.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
71.29076	1.2
71.29465	1.5
80.08240	1.3
102.98513	1.3
106.04279	1.2
125.02480	2.7
161.02534	1.8
177.14490	1.2
269.97995	11.5
270.98691	1.6
285.00482	9.6
285.68304	1.1
297.97574	36.1
298.97977	3.8
312.99921	62.2
314.00308	7.1
326.04187	1.2
328.02252	49.6
329.02640	4.3
476.06180	4.0
477.07822	1.3
487.13004	1.4
491.08337	100.0
492.08722	11.8
575.38013	1.3
652.86078	1.3
892.23871	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1019.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01392	3.8
71.05020	2.0
71.50893	0.9
72.61513	0.9
79.01888	1.7
81.03475	1.2
83.01405	0.9
85.02956	1.3
93.03451	1.5
95.01389	2.6
95.05013	1.4
97.02969	1.8
101.02460	1.8
101.06044	1.0
107.01369	3.6
108.02190	20.5
109.02961	12.4
113.02430	1.3
121.02953	1.2
123.00906	3.3
123.04501	1.9
125.02464	27.6
125.06078	2.9
126.02816	1.7
133.61446	0.8
137.02449	4.6
139.00359	2.0
139.04022	18.0
139.11264	1.2
149.02441	1.2
151.00356	3.5
151.04030	1.1
152.01163	21.6
152.65750	0.8
153.01915	5.4
161.02435	2.5
163.04041	1.6
165.01855	0.9
167.03517	4.4
168.00616	1.7
169.01440	43.7
170.01761	1.7
175.03882	1.0
177.01952	1.1
177.09302	1.1
179.03426	0.8
179.10782	8.3
205.08682	1.5
211.02574	3.9
223.06400	1.1
223.09764	26.8
241.03639	2.4
243.88184	0.9
271.04568	5.0
287.40552	0.9
289.07220	2.5
300.99936	1.3
313.05682	22.5
365.88077	1.0
453.10297	10.3
467.13480	1.3
481.17224	37.9
482.17407	4.3
537.16156	100.0
538.16656	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	1019.3405
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	1.8
72.99320	0.3
73.02952	0.5
76.18978	0.2
79.01898	0.7
83.01392	0.6
85.02971	1.0
87.00886	0.3
89.02450	0.7
93.03477	0.5
95.01408	1.4
95.05054	0.2
97.02957	0.6
99.00877	0.2
99.04515	0.6
101.02456	1.5
101.06100	0.7
107.01401	4.0
108.02187	9.8
109.03010	1.7
109.73823	0.2
111.00890	1.1
113.02454	1.4
113.06112	0.3
120.99637	1.0
121.02979	0.2
123.00897	9.2
123.04544	0.5
124.01675	0.7
125.02456	15.8
126.02811	0.5
127.00380	0.3
133.02934	0.3
135.00905	0.2
136.98854	0.5
137.02464	1.2
139.00386	3.3
139.04034	0.2
140.01199	1.8
141.01939	1.0
145.02962	0.2
149.02478	0.5
151.00385	7.4
151.03993	0.7
152.01167	4.6
153.01967	1.2
159.03123	0.2
161.02426	1.0
163.04028	1.1
165.01953	0.5
165.05580	0.3
166.99802	0.3
167.03525	0.6
168.00658	3.7
168.01997	0.3
169.01440	24.0
170.01805	0.7
171.53922	0.2
175.03964	0.3
179.03583	0.5
181.05093	0.3
190.82092	0.2
191.03522	0.3
193.01408	0.2
211.02495	10.4
212.02846	0.5
223.02390	0.3
241.03674	0.3
253.03569	0.6
271.04614	11.8
272.05051	0.6
289.07333	0.3
300.99799	0.3
313.05673	2.7
314.06244	0.2
325.07034	0.3
331.06708	1.1
351.11783	0.2
381.31796	0.2
449.10950	5.8
450.11325	0.6
467.13626	1.4
479.11899	0.3
485.16718	5.0
485.23584	0.4
486.17313	0.5
512.16180	0.2
517.26147	0.2
569.22412	100.0
570.22754	13.1
571.22998	0.2
761.58862	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1023.691
Annotation	Unknow
Peak:m/z	Relative Intensity
84.14773	0.8
87.62707	0.7
98.22533	1.8
110.87897	0.9
127.00389	0.9
156.98668	0.9
179.12263	0.8
212.76907	0.8
221.06715	1.1
338.18402	0.9
381.57150	0.9
415.12305	1.0
439.32361	1.3
469.33533	3.9
471.34897	8.6
529.35437	30.8
530.35919	5.5
1023.69177	100.0
1024.69214	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	1035.3362
Annotation	Unknow
Peak:m/z	Relative Intensity
75.50683	0.5
83.01380	1.4
85.02940	0.7
89.02448	0.7
95.01412	1.3
97.02965	0.8
99.17735	0.5
101.02480	0.6
107.01402	6.8
109.02968	0.6
110.00111	1.4
111.00887	3.5
111.48103	0.5
113.02468	1.0
123.00903	5.4
124.01688	1.9
125.02456	33.5
126.02787	1.3
127.00376	1.0
136.98819	2.0
137.02452	1.1
139.00406	4.6
139.04039	1.5
140.01157	4.6
149.02444	0.7
151.00395	3.4
153.01933	6.5
153.23318	0.5
154.02698	0.8
161.02493	0.7
165.01941	1.7
167.03508	1.7
168.00659	14.6
168.04243	3.5
169.01436	42.3
170.01819	1.5
175.03862	0.5
177.01883	0.8
177.04097	1.2
183.03058	2.3
211.02492	54.0
212.02794	1.6
241.03551	1.6
271.04605	100.0
272.04901	4.3
289.06995	0.6
300.99832	0.6
313.05658	4.0
327.07297	1.5
331.06717	45.9
332.07047	2.5
441.47800	0.5
497.13049	38.5
498.13498	4.0
537.19867	16.4
538.19922	1.7
658.25836	0.6
1015.95343	0.8
1070.83203	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1047.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
75.89234	0.6
101.26244	0.7
117.77179	0.6
125.02431	1.2
159.17079	0.7
169.01424	1.1
175.47592	0.6
257.00885	0.8
269.98062	4.7
270.98267	0.7
285.00485	5.2
297.97559	20.4
298.98221	1.1
300.99908	0.7
312.99927	35.6
314.00439	2.7
328.02261	47.1
329.02734	5.5
343.04599	100.0
344.04919	6.3
363.51700	0.7
485.12668	0.6
491.08026	3.0
532.52576	0.7
557.86072	0.6
721.40131	0.7
950.58643	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1057.749
Annotation	Unknow
Peak:m/z	Relative Intensity
76.62099	0.4
77.97242	0.4
82.84538	0.4
89.16669	0.4
94.00692	0.4
98.21819	0.5
122.76624	0.4
132.02159	0.9
133.02972	13.3
134.03758	3.1
135.04550	4.3
137.02464	1.5
139.03979	0.9
161.02458	28.5
162.02811	1.0
178.02779	0.7
179.03491	1.1
281.14154	0.5
453.33902	2.0
518.28430	0.5
554.94366	0.5
603.40613	100.0
604.41003	14.9
960.65039	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1059.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
74.99923	0.3
79.95763	0.7
83.00961	0.4
83.01387	1.9
93.03513	0.5
107.01401	1.5
109.02935	1.8
121.02973	0.7
123.04533	2.8
124.01698	0.9
125.02459	50.8
126.02798	1.7
131.05054	0.4
135.04538	1.2
137.02477	1.3
139.04050	1.2
147.04456	0.5
149.02487	3.4
150.03206	1.3
151.00375	5.9
151.04013	5.5
152.01173	3.0
153.01959	6.5
161.02484	0.9
161.06165	0.5
165.01968	0.7
167.03558	0.7
169.01369	0.5
171.04555	1.1
173.06039	0.9
174.03221	1.9
175.04002	10.2
177.01949	12.3
178.02342	0.6
178.99886	6.4
181.01428	1.2
185.06161	0.6
188.04764	0.9
189.05594	2.0
193.05057	0.9
199.04031	5.7
201.01987	1.2
213.05676	1.3
216.04291	1.0
217.05077	7.0
230.99693	5.9
231.06700	0.6
241.05055	4.5
243.02936	1.1
257.04617	1.4
259.06158	2.8
275.05615	3.9
285.04062	45.1
286.04410	2.6
301.00046	0.5
301.03363	0.5
303.05112	14.7
304.05414	0.9
331.25250	0.4
358.57776	0.4
360.40829	0.4
381.02945	0.4
383.00803	100.0
383.96185	0.6
384.01083	6.2
482.04120	0.5
903.43201	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1065.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01894	0.9
87.04520	0.8
95.01379	0.4
95.05033	1.5
96.30368	0.4
97.02967	1.6
98.22539	1.1
100.44150	0.4
102.04546	0.4
107.01389	3.7
107.23459	0.4
109.06611	1.0
111.00898	0.8
111.04512	3.2
120.99663	3.0
122.99241	0.6
123.00903	2.7
123.08186	0.8
124.01779	0.5
125.02458	24.2
126.02818	0.5
136.98820	0.5
139.00385	1.2
139.04027	15.0
139.88626	0.4
140.01126	0.7
147.08218	0.8
150.06926	0.5
151.00362	2.6
163.04060	0.9
163.07721	0.6
165.07951	0.8
165.09216	8.5
166.09575	0.4
168.00639	1.7
169.01436	39.9
170.01787	1.1
191.07176	1.1
205.04939	0.4
205.48672	0.4
207.10153	0.5
209.08202	27.6
210.08513	1.0
211.02495	3.3
241.03564	2.4
251.97675	0.4
253.03497	0.5
271.04535	4.7
297.06274	0.6
313.05688	22.4
314.05884	0.7
336.20578	0.4
383.09821	0.8
417.08054	0.4
453.10257	4.8
505.13284	0.7
523.14606	100.0
524.14874	9.7
607.60724	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1067.1219
Annotation	Unknow
Peak:m/z	Relative Intensity
74.86022	1.3
95.01414	7.0
97.02933	1.6
98.21770	2.6
106.13588	1.2
109.02957	2.1
117.03512	1.8
119.05029	2.1
121.02983	2.9
122.46621	1.3
123.00889	15.8
124.01655	5.3
125.02470	26.3
126.02717	1.5
131.05042	2.9
134.44936	1.5
137.02449	2.8
143.04987	1.7
145.03038	6.5
147.04536	6.0
149.02434	3.9
155.05087	2.0
155.48251	1.2
157.02966	1.5
158.03688	3.1
159.04530	10.7
161.02448	5.4
163.00452	1.6
163.03999	4.1
164.01184	3.1
165.01868	2.5
169.01382	3.8
171.04568	1.5
173.02396	2.8
174.03207	2.9
175.04016	13.1
177.01947	12.7
177.05554	2.0
185.02452	2.9
186.03198	2.2
187.03949	6.8
189.02031	3.6
190.02638	2.3
191.03441	4.0
193.06564	1.7
199.03992	2.9
201.02074	6.4
201.03569	1.4
202.02815	2.4
203.03540	25.5
205.01404	2.5
207.07954	1.5
211.03981	1.6
213.01917	4.0
214.02684	5.1
215.03448	3.6
216.04007	2.0
217.01404	3.5
219.02803	2.5
221.04495	3.8
227.03477	3.0
228.00600	3.6
229.01463	10.2
229.04985	1.6
230.02098	4.5
231.02985	39.6
239.03438	2.2
241.01401	1.6
242.02242	2.6
243.02945	4.5
244.00137	1.4
245.00952	7.4
245.04352	2.1
246.01479	2.0
247.02409	2.9
248.03195	4.2
249.04027	100.0
250.04344	4.2
253.01480	2.2
255.03000	3.9
257.00980	7.7
258.01672	9.4
259.02304	6.4
265.05084	3.6
267.02954	1.5
269.00812	3.0
270.01614	1.9
271.02399	6.7
273.00400	10.1
273.03864	2.0
274.01151	13.1
275.01938	35.0
276.02155	1.6
277.05066	3.8
279.02939	2.0
279.06598	1.4
280.03656	1.7
282.01700	2.7
283.02460	3.2
283.99643	6.2
285.00418	2.4
285.04007	3.4
286.01175	5.5
287.01971	11.0
287.05048	1.8
288.02786	11.5
291.01410	6.7
293.04462	2.9
295.02609	3.2
295.06085	3.6
297.00507	2.8
297.04028	2.3
298.01254	4.7
299.01974	7.4
299.99335	2.8
300.02652	3.2
300.99893	27.9
301.03531	11.4
305.04138	2.9
306.05301	1.6
307.05960	2.4
309.03949	2.3
311.01999	1.9
311.99097	2.4
312.02615	3.0
312.99927	4.6
313.03488	3.1
314.00653	21.7
315.01315	5.4
321.04196	6.1
323.05328	1.6
324.99832	1.8
325.03458	3.5
326.00714	2.8
327.01453	30.3
327.04993	1.4
328.01999	5.2
329.03027	6.9
333.04025	3.2
335.05533	2.0
337.03186	2.0
339.01410	1.7
339.05206	3.5
340.01956	3.4
341.03076	12.0
342.03091	1.8
349.03424	8.1
350.04199	4.8
351.01202	2.3
351.05014	10.3
352.05634	3.4
353.02841	2.0
353.06686	5.6
355.04730	2.4
363.05002	2.6
365.02786	2.0
366.03708	2.3
367.04346	3.5
371.03867	3.7
377.03049	56.6
378.03772	24.9
379.04578	20.1
381.06174	4.6
383.03622	1.6
394.03259	2.1
395.04068	15.9
396.04636	2.7
407.04031	3.5
413.05148	4.1
431.05722	1.5
437.05307	1.7
443.05954	3.2
449.07181	3.3
461.07520	1.8
479.08264	2.2
497.07428	3.8
515.07941	3.1
533.09241	2.9
583.07568	2.7
601.08447	7.7
613.07245	2.0
631.09222	10.4
661.09650	2.6
687.06396	1.7
689.07141	2.2
703.11761	1.9
721.12836	6.6
733.06622	2.2
858.74927	1.5
859.10480	3.0
885.08252	8.9
886.09479	2.2
903.08704	11.9
904.09259	1.7
931.10303	1.6
933.10358	13.1
934.09302	2.6
963.10614	3.2
999.11755	2.0
1005.12378	2.1
1013.12555	2.1
1023.13330	16.5
1024.13147	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	1071.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
77.39645	2.3
125.02441	3.2
134.74373	2.2
142.03281	2.3
150.00810	2.5
164.54704	2.4
169.01488	3.2
239.05743	3.2
269.98154	7.4
285.00366	9.0
297.97507	37.7
312.99872	53.5
313.83957	2.6
314.00256	4.1
315.35526	2.5
328.02274	57.2
329.02768	5.5
343.04623	100.0
344.04834	9.5
474.19965	2.7
498.60440	2.5
528.74591	2.6
625.75366	3.0
652.02258	2.5
851.80621	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	1071.7293
Annotation	Unknow
Peak:m/z	Relative Intensity
133.03003	13.7
134.03703	2.9
135.04488	4.3
140.33644	1.5
146.17641	1.5
161.02469	22.2
288.32635	1.8
323.88095	1.8
379.41071	1.8
617.38519	100.0
618.38757	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	1073.7454
Annotation	Unknow
Peak:m/z	Relative Intensity
77.63584	0.4
108.48453	0.4
116.92841	0.7
132.02219	0.7
133.01950	0.5
133.02972	10.4
134.03740	1.0
135.04526	2.8
137.02463	0.8
138.00214	0.4
145.64496	0.4
161.02458	16.3
178.02817	0.5
179.03499	1.1
211.37297	0.4
442.69461	0.5
455.35199	0.7
617.38477	100.0
618.38855	14.5
618.49011	0.8
826.76483	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	108.0213
Annotation	2-Oxylatophenol
Peak:m/z	Relative Intensity
66.03500	5.8
71.27969	5.8
80.05030	3.9
81.03466	6.7
91.01955	3.6
92.36526	3.1
94.91817	3.4
98.90687	3.5
107.03777	6.0
108.02184	100.0
108.04572	62.9
109.02972	69.6
109.04085	5.0
110.38641	3.4
121.15376	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	108.0213
Annotation	2-Oxylatophenol
Peak:m/z	Relative Intensity
66.03483	5.1
81.03465	5.7
107.03793	4.3
108.02183	100.0
108.04555	34.9
108.05304	3.7
109.02964	71.2
109.04103	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	1081.6965
Annotation	Unknow
Peak:m/z	Relative Intensity
79.51411	0.3
86.88978	0.3
89.29250	0.3
123.69216	0.3
124.51155	0.3
149.63751	0.3
183.26442	0.6
341.58438	0.3
391.30106	0.6
393.31601	0.5
409.31058	1.1
416.49240	0.3
421.31055	0.5
439.32193	4.6
440.32278	0.4
469.33267	11.3
470.33676	0.9
529.35382	100.0
530.35687	10.8
760.27313	0.3
1081.69702	100.0
1082.69983	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1089.6358
Annotation	Unknow
Peak:m/z	Relative Intensity
76.55316	0.2
78.42731	0.2
80.00658	0.2
96.92226	0.2
99.34823	0.2
131.01408	0.2
138.17639	0.2
161.02362	0.2
332.75980	0.3
453.33746	100.0
454.34122	10.7
454.39252	0.2
558.20093	0.3
580.02838	0.2
607.73676	0.3
617.38464	0.3
954.00073	0.3
955.28619	0.3
1089.63562	2.3
1090.63184	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1093.3777
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01900	1.2
83.01371	0.8
85.02927	1.2
85.06654	0.7
87.78133	0.6
87.94675	0.6
95.01398	1.4
95.05019	1.4
97.02938	2.1
101.12388	0.8
107.01380	5.5
108.02183	2.9
109.02975	1.7
109.06566	1.5
109.45448	0.8
110.00028	0.8
111.00928	1.0
111.04542	3.0
113.02444	1.5
120.99663	2.1
123.00890	7.0
123.08166	1.2
125.02455	34.6
126.02789	1.2
137.02437	1.5
139.00400	1.7
139.04018	14.9
140.01207	1.9
147.08138	1.1
149.59024	0.8
151.00371	4.8
152.01163	3.3
153.01910	1.7
161.02371	1.1
165.01906	2.0
165.09204	9.3
166.65816	0.9
167.03539	1.0
168.00684	4.3
169.01433	43.6
170.01755	1.7
187.19145	0.9
191.03459	1.1
191.07164	1.4
194.11339	0.7
209.08185	27.0
210.08504	1.1
211.02492	8.9
241.03590	2.4
271.04657	8.2
272.04962	1.2
275.38925	0.8
313.05673	20.1
314.06015	1.2
371.13501	1.4
453.10333	4.3
460.41528	0.9
485.16531	2.5
521.12952	3.9
522.13654	3.9
523.14575	100.0
524.14868	8.3
569.22430	29.9
570.22565	5.6
571.22888	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	1097.5997
Annotation	Unknow
Peak:m/z	Relative Intensity
109.02957	0.7
121.02987	0.8
122.03738	0.9
134.03780	2.0
135.04478	1.1
142.01120	0.7
147.04541	0.8
149.06128	1.6
189.70276	0.6
191.07120	0.6
240.04164	0.6
253.08669	1.3
254.05804	1.1
255.06461	1.2
269.08224	1.9
270.08997	4.0
295.09760	1.3
296.10532	2.4
311.09360	1.4
311.12878	16.7
312.10046	4.9
312.13110	1.0
315.27478	0.6
327.12396	33.6
328.12692	2.0
413.34485	3.0
431.31848	0.8
457.33273	100.0
458.33640	12.1
639.38586	0.6
692.11700	0.7
1075.59619	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0089
Annotation	2-Furoate
Peak:m/z	Relative Intensity
55.01879	12.6
55.80173	1.8
63.13990	1.5
67.01895	78.9
68.02218	2.9
70.56954	4.0
71.01420	2.3
78.95911	22.0
83.00931	2.5
83.01403	24.3
83.05025	2.5
111.00891	100.0
112.01246	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	1117.6991
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95912	1.5
98.21776	1.6
98.50765	1.1
108.02125	0.9
109.02998	1.2
121.02957	2.8
132.02187	1.6
133.02971	27.0
134.03743	8.8
135.04556	11.3
137.02458	11.8
139.04016	3.8
140.47586	1.1
149.02475	2.0
149.06071	1.0
150.03165	1.9
161.02454	49.5
161.06047	1.7
162.02788	1.3
177.01964	1.7
178.02686	6.3
179.03510	6.3
287.13245	1.1
296.09811	1.0
301.14392	1.7
302.44882	1.1
315.15988	2.3
353.17599	8.8
355.19269	8.5
369.20743	24.4
370.21155	2.3
391.26230	1.5
398.75372	1.1
400.18692	1.3
402.20694	2.2
407.29642	2.7
421.31152	29.2
422.31436	3.4
423.32739	2.3
467.31644	20.3
468.31760	3.3
551.94788	0.9
571.37946	54.7
572.38177	7.8
573.35852	1.5
587.37396	10.8
588.37616	2.0
605.38702	1.7
615.37073	16.6
616.37018	2.4
617.35168	1.5
631.36432	5.8
649.37476	100.0
650.37836	16.2
900.15857	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1123.7642
Annotation	Unknow
Peak:m/z	Relative Intensity
79.43720	0.1
98.21856	0.2
99.85928	0.1
171.10275	0.5
195.64430	0.1
199.81073	0.1
207.15329	0.1
277.21735	0.5
289.59641	0.1
411.32861	0.3
455.35330	100.0
456.35657	10.8
471.35886	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	1127.6133
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03467	0.8
85.02956	0.6
93.03465	4.8
95.01383	0.6
98.21716	0.4
107.01405	0.3
107.66312	0.2
108.02184	98.9
109.03003	14.4
110.03327	0.5
121.02968	0.7
123.00918	0.5
123.04556	0.5
125.02438	0.7
126.59925	0.3
133.02991	0.9
134.03754	0.4
135.00887	0.6
135.04532	0.6
137.02455	9.9
139.51031	0.2
151.00305	0.3
151.04008	2.4
152.01163	52.7
153.01961	15.4
154.02292	0.3
161.02454	0.2
163.04033	1.2
165.01959	0.4
167.03505	0.3
219.03224	0.2
294.25314	0.3
297.06232	0.5
405.11795	0.3
449.10919	100.0
450.11240	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	113.0973
Annotation	2-Heptanone
Peak:m/z	Relative Intensity
57.03443	44.9
58.04484	15.0
68.99580	80.6
69.07838	17.8
71.29065	15.5
78.42325	17.1
80.72369	17.1
85.02962	72.9
87.94843	16.3
108.79736	16.4
109.96101	15.3
110.35886	15.6
111.08175	68.1
113.02456	40.2
113.09733	100.0
114.05639	39.1
114.97942	16.8
131.86095	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	1133.6991
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02977	0.1
87.00882	0.1
89.02460	0.4
89.45332	0.0
95.01443	0.0
97.02966	0.1
98.22578	0.1
101.02450	0.5
113.02448	0.2
119.03522	0.2
125.02451	0.2
143.03514	0.1
145.66191	0.0
161.04575	0.1
179.05611	0.2
235.08246	0.3
246.62073	0.0
268.25272	0.1
277.21765	1.5
278.22107	0.2
287.07727	0.1
305.08719	0.1
323.09985	0.1
353.28589	0.1
369.28000	0.1
379.12305	0.0
385.31189	0.1
393.31525	0.1
395.29453	0.2
397.13525	3.7
397.30777	0.2
398.13986	0.2
411.32742	0.2
413.34326	3.1
414.35129	0.3
415.14630	1.2
416.14743	0.1
457.33255	100.0
458.33591	10.8
652.41370	0.0
675.36200	0.3
676.36517	0.1
1133.71399	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	1153.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03456	0.8
83.01389	4.4
89.03986	0.8
91.01905	0.4
93.03472	1.2
95.01382	0.4
95.05017	0.7
96.88068	0.4
97.02956	1.1
105.03479	0.6
107.01409	0.6
107.05060	2.2
107.42088	0.4
108.02188	1.2
109.02962	10.9
114.50467	0.4
117.03470	1.1
120.02174	0.7
121.02966	2.7
122.03806	0.6
123.04520	5.6
124.01674	0.8
125.02454	100.0
126.02785	1.9
130.04286	0.7
131.05038	1.2
132.02191	0.9
133.02966	7.5
135.00972	0.5
135.04547	2.1
137.02458	11.1
139.04016	1.5
145.02983	1.4
145.06647	0.5
146.03781	0.7
147.04529	1.5
149.02423	3.4
150.03194	0.5
151.02881	0.7
151.04025	10.2
152.04282	0.5
155.04994	0.4
158.03699	0.6
159.04530	3.6
159.98486	0.4
160.01698	0.8
160.05327	0.6
161.02446	36.0
161.06076	1.8
162.03091	1.7
163.00378	3.6
163.04015	3.5
164.01160	5.8
165.01924	5.4
167.03452	2.0
171.04518	0.9
173.02452	0.6
173.06116	1.3
174.03224	0.9
175.04019	16.2
175.07578	0.6
176.01157	1.6
176.04491	0.5
177.01932	12.5
177.05583	1.2
179.03503	1.8
183.04527	1.2
185.02316	0.5
185.06082	1.3
187.04019	3.1
188.04843	1.1
189.01927	2.9
189.05548	0.8
190.02748	0.8
191.03549	1.0
193.05032	1.0
197.06107	0.6
198.03262	0.8
199.04021	5.2
199.07671	0.8
200.04651	0.7
201.01907	1.0
201.05569	2.6
203.03552	3.6
203.07155	2.3
205.01440	1.0
205.05075	2.9
211.03996	1.5
212.04691	0.6
213.05518	1.4
215.03499	1.8
217.01425	0.8
217.05028	7.1
219.03012	4.0
219.06656	1.0
221.08101	0.5
223.04012	0.5
225.05606	1.7
227.03452	2.6
227.07124	0.7
228.04178	0.8
229.01479	0.8
229.05107	2.5
230.02325	0.6
231.03012	1.5
240.04388	0.5
241.05095	1.4
242.02255	0.7
243.02980	25.1
243.06699	1.5
244.03577	1.7
245.04549	11.4
245.08165	3.3
246.04938	1.4
247.06236	0.5
253.05063	1.3
255.02972	5.5
255.05560	0.5
255.06653	0.6
256.03668	2.1
257.04596	1.5
259.06088	0.5
261.04044	8.2
265.05090	0.7
267.03104	0.9
267.06708	0.6
269.04492	4.7
270.05093	0.4
271.02728	0.8
271.06104	1.0
273.04114	1.8
281.04489	2.5
282.01712	1.6
282.05032	0.5
283.02548	2.7
283.05771	0.7
285.04037	3.0
287.05624	39.1
288.06009	1.5
289.07193	16.0
290.07504	0.9
293.04434	1.0
295.02505	1.1
295.05945	0.7
297.04025	1.2
297.07477	0.5
299.05557	3.2
300.05975	0.5
303.05103	0.5
307.06259	0.5
309.04102	0.5
319.06412	0.5
327.05179	1.1
329.06857	1.4
335.05603	1.1
337.07217	1.2
339.08823	1.2
341.06613	1.2
341.10602	0.4
361.03635	1.2
361.07666	0.5
363.05127	1.2
363.09045	0.5
373.03415	0.5
374.04495	0.4
379.08572	0.9
381.05865	0.9
381.10236	0.8
383.07813	0.7
387.05124	0.7
391.04645	0.9
395.07913	1.8
405.06110	7.6
406.06473	0.9
407.07721	16.7
408.08182	1.7
413.08829	8.3
414.08994	0.7
417.06213	0.9
423.07254	5.7
423.12750	0.7
425.08731	8.7
426.09143	0.5
433.09384	0.7
435.07501	1.1
447.07574	0.6
449.08792	8.4
450.09372	0.8
451.10342	7.4
467.09811	0.8
525.08331	1.8
531.09674	1.5
533.10870	1.3
543.09198	1.9
549.10498	1.7
557.10986	1.2
559.12433	1.2
567.08899	0.8
569.10931	0.8
575.11963	9.1
576.12756	0.8
577.13446	9.5
578.14282	0.9
587.11981	2.2
588.12537	0.4
693.12524	1.0
695.14203	4.7
701.15472	0.9
711.13879	0.7
713.15369	1.3
737.14807	0.6
739.16754	3.0
773.03876	0.5
813.15015	0.8
831.15936	0.7
857.17773	0.6
863.18896	1.2
865.19611	3.0
866.19897	0.6
983.20538	1.7
1001.21289	0.8
1167.88672	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1177.778
Annotation	Unknow
Peak:m/z	Relative Intensity
83.05045	0.1
83.57214	0.1
85.02928	0.1
87.00943	0.1
89.02460	0.1
97.02927	0.3
98.22552	0.3
101.02454	0.4
109.06599	1.3
113.02429	0.3
144.70285	0.1
149.57153	0.1
161.04584	0.2
161.97990	0.1
163.11316	1.2
181.12254	0.2
189.09254	0.4
207.10269	8.1
208.10593	0.4
209.11856	0.3
225.11337	2.4
226.11609	0.1
232.13116	0.1
235.08243	1.5
253.09270	1.9
255.23393	0.3
256.23560	0.2
277.21729	15.8
278.22058	1.3
319.13980	0.1
353.05557	0.1
383.29733	0.2
393.31821	0.2
411.32724	0.2
441.33536	0.2
443.19193	0.9
455.35330	100.0
456.35651	14.2
461.20224	0.8
467.31268	0.2
513.30804	0.5
703.41138	0.7
721.41699	10.0
722.42151	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	4.0
65.03960	0.5
69.61777	2.2
71.01385	1.5
86.21562	0.5
88.28831	0.5
91.05537	1.9
93.03471	6.0
98.22534	0.8
100.00430	0.5
101.92421	2.8
101.93007	0.6
111.73740	0.6
117.03496	0.8
118.92651	6.3
118.93269	0.8
119.05032	100.0
120.04544	0.9
120.05354	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	120.9966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92727	8.5
56.47387	7.8
66.03483	12.0
84.81923	8.9
91.10150	9.9
93.03488	10.6
94.02968	20.9
98.21633	20.5
120.99650	38.3
121.02961	100.0
122.02482	21.1
136.75867	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	120.9967
Annotation	Unknow
Peak:m/z	Relative Intensity
64.20303	1.7
65.44138	1.7
66.03490	8.4
70.00406	4.4
71.83549	1.5
80.18137	1.6
80.94357	1.7
93.03465	29.2
94.02988	30.7
108.02212	3.5
120.99656	19.9
121.00414	2.6
121.02966	100.0
122.02503	25.0
122.03314	4.9
136.00024	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0291
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
66.03496	9.9
67.37881	3.3
85.16786	3.6
93.03455	12.2
94.03001	36.2
107.73103	3.1
108.02184	5.9
116.90205	3.4
121.02958	100.0
122.02491	26.2
122.03281	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	121.0296
Annotation	Unknow
Peak:m/z	Relative Intensity
66.03477	0.8
67.58495	0.2
69.22573	1.9
70.52199	0.2
91.01904	1.3
93.03476	4.0
94.03001	2.2
95.01408	0.9
102.46804	0.3
108.02187	4.4
109.23411	0.3
110.09544	0.3
121.02966	100.0
122.02475	1.6
122.03304	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	121.0297
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
66.03479	7.9
67.71472	1.8
69.32556	5.3
69.32964	7.1
93.03465	10.7
94.02986	22.5
120.99659	5.9
121.02969	100.0
122.02482	19.0
122.03324	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	123.009
Annotation	2-Hydroxy-1,4-benzoquinone
Peak:m/z	Relative Intensity
51.02370	1.0
53.00303	0.7
66.03496	3.3
67.01893	3.5
68.99815	4.9
69.03449	0.6
71.27472	0.5
78.03520	0.7
79.95725	1.5
81.03454	1.0
94.02995	7.7
94.98070	0.9
95.01395	100.0
95.05032	0.5
96.01741	4.4
96.04568	3.6
108.02180	1.9
109.01690	0.5
122.03733	1.8
123.00894	46.2
123.04532	3.7
123.05594	0.9
124.01750	5.2
124.04045	9.0
124.04905	0.8
132.35657	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0454
Annotation	Orcinol
Peak:m/z	Relative Intensity
51.02314	1.3
58.64721	1.4
59.40608	1.4
64.17387	1.3
65.00354	1.5
66.03493	1.9
69.21465	7.7
69.21873	3.5
76.18082	1.3
79.05534	4.7
81.03461	100.0
82.03799	4.5
94.02988	2.2
95.01391	17.6
96.01739	1.4
98.22528	3.1
109.82051	1.6
123.00941	10.8
123.04536	71.9
124.01664	3.8
124.04044	3.5
124.04875	4.4
128.78410	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0453
Annotation	p-Hydroxybenzyl alcohol
Peak:m/z	Relative Intensity
55.01885	1.4
66.03492	7.3
67.01890	2.9
68.99819	1.0
69.58865	3.1
69.59277	2.4
79.05531	1.4
79.95722	8.0
93.03465	100.0
94.02994	16.8
94.03804	3.7
94.98117	2.6
95.01397	48.0
95.03342	2.3
95.05034	1.1
96.01750	2.2
96.04571	8.5
106.03027	1.4
108.02192	2.5
109.01665	1.7
121.02968	98.7
122.02535	1.1
122.03281	6.2
122.97579	1.3
123.00906	19.3
123.04533	19.8
123.05559	1.9
123.08174	1.4
124.01588	3.3
124.04061	20.6
124.04889	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	123.0454
Annotation	Trichodenone A
Peak:m/z	Relative Intensity
66.03228	1.5
66.03493	18.0
67.01897	7.2
68.99820	4.7
69.15870	8.8
71.01426	1.9
73.86345	1.6
78.03492	3.1
79.95738	10.7
81.03466	11.3
82.03012	1.7
93.03457	4.9
94.02990	32.2
94.98080	4.4
95.01392	100.0
95.03332	3.6
95.05035	8.7
95.45240	1.5
96.01749	4.7
96.04568	12.5
106.02966	2.2
108.02168	6.4
109.01669	2.3
114.75037	1.5
121.02964	2.2
122.02480	2.7
122.03764	11.4
122.97652	3.5
123.00896	34.0
123.04536	58.3
123.05552	3.5
124.01736	8.9
124.04053	44.8
124.04890	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	123.0818
Annotation	2E,4Z-Octadienal
Peak:m/z	Relative Intensity
55.01616	6.8
55.01884	94.4
69.03432	5.5
69.40197	29.2
70.42993	4.4
81.03468	14.7
81.85848	5.7
94.03028	6.6
95.01397	26.5
95.04995	7.4
98.22495	11.1
105.07095	7.6
107.05043	35.8
121.06595	46.3
123.00895	11.8
123.08176	100.0
124.04072	8.4
124.08473	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	125.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59434	1.4
57.03436	3.7
58.82937	1.2
67.01881	2.6
69.03466	15.4
70.45357	2.3
77.85300	1.0
79.01908	2.4
81.03465	6.9
83.01388	3.0
95.01392	3.0
96.99326	8.1
97.02960	9.4
116.70679	1.1
124.01672	3.5
124.98853	3.6
125.02456	100.0
126.01933	1.3
126.02790	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	125.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.0
67.01901	2.8
69.03459	14.5
78.75507	1.0
79.01891	3.5
81.03447	3.1
83.01391	1.5
95.01406	2.7
97.02959	10.4
97.94916	0.9
123.00867	1.4
124.01679	4.1
125.02455	100.0
126.02820	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	127.0403
Annotation	Osmundalactone
Peak:m/z	Relative Intensity
52.09143	0.9
55.01871	3.4
57.11195	0.9
61.99831	1.0
64.53180	0.9
65.03969	5.1
69.14482	7.7
79.19051	0.8
81.75019	0.9
83.05031	81.6
83.83356	0.9
84.05359	3.9
93.42617	0.9
126.90452	2.7
127.04021	100.0
128.03578	1.1
128.04387	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	128.0356
Annotation	Pyroglutamic acid
Peak:m/z	Relative Intensity
57.03445	4.7
57.89410	1.5
61.51851	1.5
65.04995	1.6
67.01890	3.6
69.89545	3.3
69.89935	3.8
71.01377	2.5
76.02926	1.6
82.02982	7.7
85.02960	26.7
87.74237	1.6
98.21853	2.1
106.36199	1.9
107.66100	1.6
128.03552	100.0
128.07196	6.3
129.01941	2.2
129.03909	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	128.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09485	0.8
55.01868	0.8
57.03441	1.3
67.01897	5.0
68.01436	0.7
68.91673	0.7
69.31104	4.5
71.01377	1.0
82.03008	5.0
85.02954	27.6
91.78268	0.8
98.21796	1.7
128.03552	100.0
128.07175	8.7
128.90176	2.1
129.01942	2.3
129.03889	4.8
131.79958	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0196
Annotation	Mesaconic acid
Peak:m/z	Relative Intensity
57.52259	1.5
57.52555	1.6
67.01876	1.9
70.43678	4.7
85.02962	100.0
86.03329	2.3
88.04031	2.9
119.60148	1.8
127.69413	1.7
129.01932	3.6
129.03879	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	129.0196
Annotation	Mesaconate
Peak:m/z	Relative Intensity
50.60292	4.8
55.01877	9.4
56.51213	4.9
57.03451	36.1
67.01894	100.0
68.99825	5.2
70.44850	13.3
71.01390	9.3
72.99296	6.2
75.46622	5.1
83.01424	5.3
85.02959	49.4
129.01944	17.0
129.07538	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	130.0876
Annotation	Isoleucine
Peak:m/z	Relative Intensity
57.03424	1.2
60.79247	1.0
70.01933	1.3
70.02247	2.9
73.20543	1.0
85.02963	3.3
98.22568	1.1
119.11031	1.0
130.08748	100.0
131.08270	15.8
131.09113	5.7
137.76436	1.0
149.47606	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27206	1.9
63.90469	2.0
69.71250	7.1
76.60838	1.8
83.06170	3.1
85.02968	2.0
85.60913	2.3
131.08281	100.0
132.08646	6.9
149.36784	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	131.0828
Annotation	D-Ornithine
Peak:m/z	Relative Intensity
61.21744	2.6
67.51279	2.1
69.12016	16.2
79.44100	2.5
83.06144	3.2
85.02971	2.4
117.98417	2.1
131.08266	100.0
132.08652	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	131.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27206	1.9
63.90469	2.0
69.71250	7.1
76.60838	1.8
83.06170	3.1
85.02968	2.0
85.60913	2.3
131.08281	100.0
132.08646	6.9
149.36784	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	132.0305
Annotation	Aspartate
Peak:m/z	Relative Intensity
54.43228	0.9
58.19782	0.8
59.01357	1.4
61.54128	0.7
61.75830	0.8
65.11043	0.9
70.10039	1.4
70.10347	1.5
71.01389	59.1
72.00912	2.9
72.99323	7.5
84.68227	0.8
87.00863	0.9
88.04048	100.0
89.02461	4.1
89.04397	2.0
114.02016	4.2
115.00384	67.6
132.03033	17.8
132.86806	21.8
133.01466	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	133.0144
Annotation	D-(+)-Malic acid
Peak:m/z	Relative Intensity
53.79309	1.0
59.01387	1.2
59.37235	1.1
70.61338	2.3
71.01389	87.0
72.01730	2.4
72.99315	20.8
87.00871	1.5
89.02457	6.9
115.00384	100.0
116.00703	3.7
116.36048	1.1
123.74605	1.2
133.01433	17.2
134.01846	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08301	1.4
53.62000	1.3
59.01378	2.2
69.04067	12.3
69.58167	1.5
70.00989	1.4
70.01379	1.3
71.01385	94.9
72.01719	3.0
72.99312	26.3
83.17368	1.8
87.00884	1.9
89.02462	8.4
90.98639	1.6
101.82581	1.4
110.87103	1.5
115.00385	100.0
116.00727	4.2
122.44540	1.5
124.48955	1.5
131.89598	1.4
133.01433	15.3
147.75444	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0475
Annotation	Unknow
Peak:m/z	Relative Intensity
60.50068	0.4
65.01446	1.1
68.02531	1.1
69.66064	1.6
71.01388	0.4
72.01740	0.5
75.00864	1.2
75.69068	0.4
79.50209	0.3
80.02534	0.7
80.74860	0.4
92.02552	11.4
107.03645	43.2
108.03323	0.8
108.03995	1.3
111.56160	0.4
118.96898	0.4
133.22729	0.4
134.04738	100.0
135.03073	0.5
135.04332	1.3
135.05087	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	134.0474
Annotation	Adenine
Peak:m/z	Relative Intensity
65.01455	1.4
69.52833	3.1
75.00879	1.0
92.02554	12.8
96.19440	0.7
98.21833	1.0
107.03647	43.3
108.03999	1.7
116.00716	0.8
134.04738	100.0
134.86531	3.1
134.89456	0.7
135.04337	1.1
135.05090	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	135.0302
Annotation	Threonate
Peak:m/z	Relative Intensity
58.00599	0.8
59.01382	9.2
59.54677	0.7
70.62217	1.5
70.92306	0.7
71.01375	4.2
72.99309	16.5
75.00877	100.0
76.01208	1.0
76.28743	0.7
87.00878	2.6
87.74297	0.7
89.02444	5.3
91.33278	0.6
99.92596	1.0
106.30004	0.6
117.01962	2.0
118.52445	0.6
134.89481	10.7
135.02998	18.4
135.04565	1.5
135.89522	0.8
136.03386	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0302
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00599	0.8
59.01382	9.2
59.54677	0.7
70.62217	1.5
70.92306	0.7
71.01375	4.2
72.99309	16.5
75.00877	100.0
76.01208	1.0
76.28743	0.7
87.00878	2.6
87.74297	0.7
89.02444	5.3
91.33278	0.6
99.92596	1.0
106.30004	0.6
117.01962	2.0
118.52445	0.6
134.89481	10.7
135.02998	18.4
135.04565	1.5
135.89522	0.8
136.03386	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0168
Annotation	3-Hydroxybenzoate
Peak:m/z	Relative Intensity
67.01886	2.3
68.99809	1.8
69.01875	1.7
69.03435	3.6
69.09736	11.6
69.10149	4.0
69.25938	1.6
71.98890	1.7
74.99106	2.1
81.27161	1.8
83.01377	1.8
93.03468	36.4
94.96595	1.8
95.01385	13.5
97.02944	2.2
108.02184	100.0
108.32933	1.8
108.44894	1.9
109.02512	6.0
113.04997	1.8
136.01668	72.4
136.04924	4.2
137.02530	18.5
138.84883	1.7
142.30844	1.7
147.43643	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0406
Annotation	4-Nitrotoluene
Peak:m/z	Relative Intensity
50.26515	1.1
50.43164	1.1
50.77812	1.1
64.01904	4.0
65.03956	3.0
69.03474	1.5
70.78116	1.5
74.99092	4.9
78.95905	1.2
81.03458	3.0
92.05061	2.7
93.03463	84.5
93.35077	1.4
94.02962	2.9
95.01369	1.6
95.05013	1.5
99.92594	3.4
106.04237	7.3
107.05051	2.6
108.02183	13.6
108.04545	2.6
109.02965	8.8
119.05043	8.8
122.03761	2.7
135.89485	16.2
136.01752	9.4
136.04045	100.0
136.07668	1.6
136.86293	14.8
136.89192	26.1
137.02466	40.4
137.03510	2.8
137.04388	5.2
137.06085	29.1
137.07164	1.5
138.03255	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	137.0246
Annotation	Salicylic acid
Peak:m/z	Relative Intensity
53.48761	0.9
55.99563	0.6
58.57566	0.6
65.03956	2.1
67.79356	0.7
70.63690	1.4
74.99089	1.3
81.03473	5.1
83.01406	1.3
91.01884	1.3
93.03466	95.4
94.03821	4.3
108.02189	10.8
109.02962	7.1
117.01362	0.8
119.01408	1.5
123.03255	1.3
136.01678	13.3
136.89188	3.2
137.02458	100.0
138.01910	5.2
138.02876	4.6
141.87233	0.8
147.41809	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0245
Annotation	Sesamol
Peak:m/z	Relative Intensity
55.01872	1.0
65.03966	1.2
67.01861	1.3
68.99810	1.0
69.03459	34.1
69.50813	3.0
70.03804	1.4
74.99090	0.9
80.12476	0.8
81.03486	0.8
83.01393	100.0
84.01717	3.3
93.03463	22.9
95.01385	1.5
98.22533	1.6
105.02177	0.9
108.02206	9.0
109.02960	40.4
110.03323	2.1
136.01645	1.7
136.86317	3.2
136.89192	3.3
137.02458	85.5
138.01965	9.2
138.02844	2.8
138.10925	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0246
Annotation	Salicylic acid
Peak:m/z	Relative Intensity
50.79722	0.3
65.03970	1.6
68.52563	0.2
70.77687	0.6
75.62154	0.2
85.02628	0.3
86.95123	0.3
88.30185	0.3
93.03467	100.0
94.03802	4.7
103.39593	0.3
108.02179	1.3
120.73530	0.3
136.01730	0.3
136.86298	0.3
136.89223	0.4
137.02463	10.4
137.11938	0.2
138.01958	1.5
138.02863	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0974
Annotation	Isophorone
Peak:m/z	Relative Intensity
68.98707	93.9
79.01901	19.7
81.03466	65.7
83.05019	63.2
93.03468	68.8
108.02168	46.3
109.02979	10.3
119.08717	9.8
121.06604	12.3
130.34317	9.4
135.08133	12.5
136.86301	12.7
136.89168	24.2
137.02495	65.3
137.09720	100.0
138.01984	50.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0199
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
51.77073	0.4
57.08882	0.5
69.17824	2.2
69.18233	0.8
108.02183	84.8
109.02510	4.5
111.43155	0.5
138.01982	100.0
139.02359	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	138.0563
Annotation	5-(Methoxymethyl)-1H-pyrrole-2-carbaldehyde
Peak:m/z	Relative Intensity
55.01874	2.0
57.84673	1.9
66.03481	3.0
67.01878	5.9
68.99799	4.3
71.26872	3.0
79.95737	3.5
83.01387	6.5
92.05051	8.4
93.03442	3.4
94.02393	2.6
94.02988	45.0
94.03725	11.0
94.98096	3.8
95.01394	4.4
95.26529	1.9
96.95993	4.1
97.02961	2.2
106.41533	2.0
108.02175	76.7
108.04562	35.4
109.02461	2.3
110.02491	3.4
110.87060	2.3
111.00893	27.2
112.12584	2.2
120.04544	8.0
121.02918	2.0
122.02478	3.8
123.00854	2.7
123.03245	3.9
123.42955	2.4
124.01685	14.8
137.89183	7.6
138.01968	100.0
138.02771	4.4
138.05612	36.1
139.00426	14.3
139.02371	4.0
139.04024	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	139.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44754	1.2
55.01876	4.9
63.47418	1.2
67.01900	3.3
68.99835	2.5
69.22727	3.8
69.23158	4.6
74.05785	1.2
79.95763	1.3
83.01413	3.7
83.04998	1.5
93.03466	3.6
95.01385	4.0
96.00908	1.5
97.02959	2.1
109.02476	1.6
111.00894	13.8
111.04530	1.7
121.02903	1.7
123.00889	36.1
124.01685	100.0
125.01997	5.7
138.86090	3.2
139.00406	15.6
139.02348	2.5
139.04022	13.0
139.06105	1.4
140.01151	4.6
141.08228	1.5
150.47964	1.4
157.73889	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0403
Annotation	3-METHOXYCATECHOL
Peak:m/z	Relative Intensity
55.01859	1.7
60.53675	1.5
63.02394	3.3
67.01887	3.4
69.03398	1.3
70.83842	2.2
79.95723	3.6
80.16576	1.3
83.01370	1.8
91.56819	1.2
94.98104	2.9
95.05042	2.1
97.02940	1.7
109.02505	4.8
110.94992	1.4
111.00887	17.0
124.01669	100.0
125.02011	4.2
128.01251	1.6
138.86029	4.2
139.00395	4.9
139.01352	1.4
139.02357	3.9
139.04019	15.4
140.03514	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	142.9988
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77673	1.5
53.00313	13.2
59.01373	6.1
65.56435	1.6
68.99806	5.7
69.03436	3.1
69.89881	1.6
71.01392	24.5
72.99306	1.9
80.99816	4.1
85.02966	2.4
87.00882	8.1
87.92537	100.0
96.99332	22.5
99.04530	5.5
102.05621	2.5
103.92041	47.5
104.92823	4.2
105.93589	15.7
108.04559	2.1
112.98813	19.5
115.00415	2.1
119.91537	1.8
123.94653	31.1
124.98821	46.7
126.05642	7.8
140.98312	5.1
142.99878	49.8
143.03523	4.1
143.10779	4.9
144.02000	2.6
144.04590	3.6
144.06680	24.1
154.22549	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.9988
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63255	1.2
53.00311	28.5
59.01389	11.4
62.45053	1.5
68.99821	7.3
69.13150	1.5
70.77556	1.8
71.00982	2.6
71.01388	49.9
71.79583	1.3
72.01726	2.1
72.99305	5.4
79.79513	1.3
80.99817	8.0
84.16388	1.9
87.00882	12.5
87.92539	5.5
96.99316	37.5
99.00912	1.8
99.04546	2.3
104.60677	1.5
112.98822	44.9
115.00386	5.3
124.98815	80.4
125.99132	1.6
140.98329	12.0
142.99873	100.0
143.10809	2.2
144.00237	4.9
144.04549	3.3
144.06670	3.1
158.75191	1.6
164.95087	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.0202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	15.9
59.01094	6.0
59.01381	100.0
68.99811	8.6
69.03453	7.1
69.49724	12.8
71.01390	48.3
71.05033	4.5
72.99308	3.6
73.02942	3.7
74.99404	3.5
80.99816	6.0
83.01389	3.8
85.02959	15.1
87.00896	15.9
96.99318	18.3
97.02965	5.0
98.21859	5.9
99.04502	9.9
101.00957	88.2
102.01035	9.3
104.49831	3.0
111.00868	3.9
112.98823	30.8
115.00346	3.3
115.04026	8.7
117.00462	25.7
124.98817	40.7
125.02403	4.1
125.99193	3.6
140.98273	7.4
142.99861	59.1
143.02016	12.4
143.03517	11.9
143.10741	6.5
144.04562	30.2
144.06641	6.0
159.01433	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	145.0873
Annotation	2-Hydroxyheptanoic acid
Peak:m/z	Relative Intensity
53.78633	1.0
69.71811	1.1
69.72157	3.7
79.47561	1.1
84.79703	1.1
89.52890	0.9
97.06590	3.3
99.08166	100.0
100.08499	5.8
107.42547	1.1
117.03466	1.3
130.15596	1.2
135.80345	1.3
145.08714	28.2
146.02466	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	146.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66236	1.0
57.03431	5.2
59.01380	4.6
60.35613	0.9
65.00177	1.1
71.01391	2.9
71.26905	1.1
74.02487	1.6
82.02973	1.1
84.04558	1.5
85.02959	11.6
87.00880	13.5
87.92514	2.2
102.05621	100.0
103.04031	1.8
103.05958	4.5
104.51852	1.0
117.43943	1.0
117.56718	1.0
128.03561	38.5
129.01968	3.0
129.03909	2.0
146.02513	7.3
146.04585	13.3
147.02975	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	146.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99169	0.8
57.03438	1.0
59.01374	1.4
70.64209	2.1
71.01383	7.5
74.02447	1.5
74.73196	0.8
84.04544	1.1
85.02954	2.3
87.00902	2.4
94.95734	1.5
99.00897	4.0
102.05611	100.0
103.05951	3.5
128.03549	32.7
129.03893	1.3
131.82715	0.9
146.04622	9.7
146.95192	1.2
151.36452	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0301
Annotation	2-Dehydro-3-deoxy-L-arabinonate
Peak:m/z	Relative Intensity
55.73235	2.9
57.03458	25.7
59.01383	18.7
60.34888	2.9
70.79830	6.5
71.01384	45.8
71.05019	3.5
72.01694	3.9
72.99306	15.2
81.36032	2.4
81.54312	3.0
85.02961	69.3
87.00354	6.0
87.00881	100.0
88.01261	5.3
99.00889	9.7
101.02455	5.0
101.06100	4.7
102.05606	2.9
103.04009	8.4
103.05933	4.6
129.01933	22.2
147.03032	20.3
147.06795	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	147.0301
Annotation	2-Dehydro-3-deoxy-L-arabinonate
Peak:m/z	Relative Intensity
54.82542	3.9
57.03444	5.9
59.01390	27.6
61.95728	3.8
69.29050	25.2
71.01389	100.0
72.99302	47.3
85.02980	4.8
87.00879	13.5
112.17107	4.1
120.10426	4.2
129.01956	9.3
151.38004	4.2
157.26070	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	147.0301
Annotation	Citramalate
Peak:m/z	Relative Intensity
50.93082	1.3
57.03449	20.9
59.01373	7.9
69.78428	2.8
69.78823	2.3
80.40058	1.5
85.02959	57.0
87.00885	100.0
88.01234	2.6
101.02430	2.9
103.04027	6.4
125.03511	1.4
125.25121	1.6
129.01970	12.7
147.03011	18.7
148.03401	1.3
164.68408	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0301
Annotation	Citramalate
Peak:m/z	Relative Intensity
52.51050	3.6
57.03455	22.2
59.01375	12.8
69.99570	6.7
71.01362	4.1
85.02959	57.3
87.00883	100.0
101.02500	4.5
103.04013	12.5
106.41374	3.8
115.00324	4.3
127.57094	3.4
129.01952	26.2
146.95267	5.2
147.03043	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	149.0456
Annotation	L-ribulose
Peak:m/z	Relative Intensity
53.35876	0.9
59.01381	13.3
68.24740	1.0
69.03454	4.3
69.11168	5.2
69.11569	3.2
71.01387	41.0
72.99310	1.9
73.02951	31.3
75.00890	7.1
76.41405	1.0
85.02953	2.5
87.00880	12.6
89.02448	100.0
90.02793	2.7
98.21775	2.2
101.02468	2.5
103.04013	13.5
131.03529	4.7
149.04555	31.7
150.04922	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0457
Annotation	D-ribulose
Peak:m/z	Relative Intensity
59.01386	10.4
67.37629	1.1
68.46722	1.1
69.03459	2.1
70.16753	3.3
71.01385	42.8
72.01756	1.1
72.99287	1.6
73.02951	26.6
75.00890	3.5
85.02964	1.0
87.00879	11.0
89.02450	100.0
90.02795	2.8
101.02415	2.0
103.04019	9.7
131.03532	2.0
133.01587	2.9
138.00072	1.0
148.29414	1.0
149.04575	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	149.0608
Annotation	p-Hydroxypropiophenone
Peak:m/z	Relative Intensity
68.34196	1.5
69.53603	7.8
78.22176	1.3
79.93336	1.3
93.03447	2.0
94.99322	5.4
98.22485	3.0
104.97784	1.6
108.02138	3.2
108.92869	1.6
113.82368	1.7
120.88896	1.5
121.02995	6.2
122.03764	3.9
129.70003	1.4
130.04219	1.6
131.04994	2.6
134.03738	2.5
134.40578	1.5
137.02464	1.9
139.04112	1.3
147.04533	6.1
148.05330	19.4
148.92509	2.1
149.00929	3.1
149.02425	1.9
149.06094	100.0
150.00218	4.6
150.06445	6.5
160.05980	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0324
Annotation	gamma-Chloronorvaline
Peak:m/z	Relative Intensity
51.81666	1.0
53.81066	1.0
58.71673	1.3
59.01374	1.1
61.02289	1.1
65.03975	2.4
67.01896	1.9
69.33626	7.6
71.01384	3.6
77.03828	1.3
89.02467	1.4
93.03461	2.1
101.02451	2.2
107.05054	4.4
108.02187	2.0
108.04562	1.1
109.03014	1.4
121.02985	2.4
122.03819	6.0
123.00908	1.4
123.04555	7.5
136.01668	17.5
137.02464	1.6
139.04028	4.0
149.02444	8.3
150.00197	2.9
150.03246	100.0
151.02419	1.1
151.03949	10.9
154.02724	1.7
165.71463	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0323
Annotation	gamma-Chloronorvaline
Peak:m/z	Relative Intensity
56.32558	0.9
59.01368	1.6
65.03969	1.9
66.60767	0.9
67.01883	2.5
69.12002	5.0
69.12398	1.8
71.01382	2.9
93.03506	1.3
94.02998	1.1
98.21813	2.2
101.02482	1.3
107.05028	4.9
108.02166	2.4
109.02970	5.3
111.00803	1.1
117.24696	1.2
121.03014	2.1
122.03788	5.6
123.04546	7.3
124.01659	1.8
124.93528	1.0
135.04111	3.2
136.01683	18.2
139.04021	3.6
144.78387	1.0
149.02460	10.3
150.03235	100.0
151.04044	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	151.0039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	3.5
63.02387	7.2
65.00327	53.3
66.03474	6.8
69.08974	3.8
69.09391	11.9
71.01374	7.3
80.79092	2.1
83.01393	24.6
89.02413	2.2
95.01382	3.7
101.02445	3.1
107.01406	31.9
107.05043	7.0
108.02195	9.7
108.04562	5.2
109.02996	2.1
109.04082	2.3
122.03728	7.0
123.00921	3.8
123.04518	8.4
125.06065	4.4
136.01671	100.0
136.05307	8.2
137.02025	5.8
151.00430	15.8
151.01489	3.4
151.04031	16.4
151.07643	16.8
152.01144	2.6
152.03542	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	151.0403
Annotation	Vanillin
Peak:m/z	Relative Intensity
54.21306	0.2
57.16357	0.2
67.01909	0.3
69.03469	0.3
71.01382	0.4
71.28531	0.3
79.01900	0.3
92.02662	0.4
95.01389	1.5
108.02187	7.5
122.03746	0.4
123.00916	0.3
123.04566	0.4
136.01671	100.0
137.02003	5.3
151.04021	6.3
151.07652	0.4
160.53876	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0614
Annotation	Ribitol
Peak:m/z	Relative Intensity
50.38271	1.4
51.23737	1.5
55.01885	4.4
57.03452	1.6
58.00575	3.0
59.01383	46.2
66.03465	4.9
70.53384	2.8
71.01385	100.0
72.01710	2.3
72.99309	3.5
73.02957	11.0
78.95907	6.0
79.95690	1.7
83.01395	10.0
85.02951	8.2
87.00874	4.1
89.02449	52.6
101.02448	55.0
107.05022	3.7
108.02171	12.4
108.04542	5.7
109.02957	2.4
112.48957	1.5
113.02451	2.2
119.03493	3.5
122.03727	4.3
123.00909	1.4
123.04552	7.2
130.17317	1.4
131.03494	1.7
133.05078	2.1
136.01660	32.4
151.04033	15.5
151.06116	13.0
152.01175	2.7
152.03563	9.2
153.59073	1.6
155.97098	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0356
Annotation	4-Nitroanisole
Peak:m/z	Relative Intensity
54.18995	0.7
65.60007	0.7
66.03476	2.2
89.85909	0.7
94.09457	0.7
98.22594	2.0
108.02192	2.3
108.04584	1.8
109.02962	10.9
110.00085	1.1
119.41814	0.7
121.02937	1.2
122.03752	47.5
123.00869	1.9
123.04100	2.9
137.02002	3.2
138.02197	0.8
152.03551	100.0
153.01976	3.7
153.03914	6.2
166.16254	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0194
Annotation	Terreic acid
Peak:m/z	Relative Intensity
55.01885	4.9
56.15409	0.6
69.20100	3.7
69.20507	1.9
75.77945	0.7
81.03462	2.9
97.02952	2.3
108.02170	1.5
109.02965	6.8
111.00899	0.8
118.13246	0.6
123.00886	2.2
125.02456	100.0
126.02764	3.7
153.01945	28.7
153.86867	1.7
154.02353	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0195
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.7
65.00318	2.0
67.01896	1.6
68.99819	1.5
69.03462	2.2
70.62634	1.5
70.62991	0.6
71.01382	0.9
72.99319	0.7
79.01906	0.8
81.03463	5.4
82.03002	0.8
83.01391	4.1
85.02964	2.9
91.01888	0.7
95.01390	4.0
96.96023	0.8
96.99361	0.8
97.02968	1.6
97.64660	0.6
107.01409	1.2
108.02184	31.3
109.02968	90.9
110.00105	7.0
110.03311	4.2
114.11787	0.6
123.00874	4.3
123.04551	4.7
124.01675	1.5
125.02451	6.3
128.67398	0.6
135.04544	1.6
137.25995	0.7
137.99605	3.1
138.03268	1.8
151.00323	3.9
152.01170	2.9
153.01950	100.0
153.05598	2.2
154.02350	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	153.0195
Annotation	Gentisic acid
Peak:m/z	Relative Intensity
57.03432	0.7
65.00317	1.1
66.03476	0.4
68.99816	1.1
69.03454	1.1
69.68169	1.6
71.01398	0.5
72.59796	0.3
72.94411	0.4
81.03460	4.0
83.01394	2.1
85.02959	3.9
91.01885	0.9
95.01395	3.0
95.05045	0.4
97.02956	0.7
106.57919	0.4
107.01421	0.9
108.02185	35.9
109.02965	100.0
110.00123	1.5
110.03275	4.4
122.03747	0.8
123.00898	3.5
123.04536	20.6
124.04855	0.7
124.97944	0.4
125.02449	1.4
130.74821	0.4
137.99652	0.4
138.03281	0.5
151.00363	2.5
153.01953	24.2
153.05574	2.8
154.02380	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0195
Annotation	3,5-DIHYDROXYBENZOIC ACID
Peak:m/z	Relative Intensity
57.35673	1.0
57.72993	0.9
65.00333	1.1
68.99833	1.5
72.99316	11.5
79.13232	0.8
81.03432	1.4
82.00596	2.7
82.02991	1.1
83.01395	2.6
96.99319	4.5
98.22533	2.3
105.19262	0.9
108.02205	5.0
109.02969	26.8
110.00108	100.0
110.98415	1.0
111.00468	3.5
123.00899	2.4
125.02468	26.7
137.99608	43.6
138.03261	1.0
151.00404	1.0
153.01953	42.0
154.02386	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	153.0196
Annotation	3,4-Dihydroxybenzoate
Peak:m/z	Relative Intensity
50.73396	1.1
51.35431	0.9
57.03449	7.0
63.02400	3.1
65.00333	18.3
67.01904	5.0
68.99821	12.4
79.47654	1.1
81.03462	3.8
83.01393	45.2
84.01742	1.1
85.02946	3.7
95.01384	1.5
98.21782	1.7
107.01409	21.2
108.02229	2.6
109.02962	26.1
110.00137	1.8
111.00914	3.1
115.79362	1.0
123.00906	3.5
125.02449	17.3
138.02164	3.4
143.68520	0.9
147.35693	0.9
151.00385	78.4
152.00742	3.4
153.01953	100.0
154.02321	4.7
162.17798	0.9
169.01442	1.3
169.59947	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0195
Annotation	2,5-dihydroxy benzoic acid
Peak:m/z	Relative Intensity
65.00307	1.6
65.03963	0.8
66.03491	2.7
67.03027	0.8
68.99806	1.3
69.03445	1.5
70.13018	1.0
70.63315	2.0
71.01376	3.5
72.00921	1.7
72.07578	0.8
72.99333	4.8
78.95907	16.2
79.43751	0.8
80.03802	1.0
80.96526	2.5
81.03469	5.6
81.04582	1.0
82.02982	0.9
83.01403	4.4
85.02962	8.0
93.04613	7.0
95.01398	10.2
96.96990	2.7
96.99315	1.2
97.93146	1.1
107.01382	1.4
108.02184	80.1
108.05695	1.0
109.02967	100.0
110.00103	4.0
110.02531	1.3
110.03300	3.3
110.07234	1.0
118.14891	0.9
123.00878	9.9
124.98756	1.1
125.02451	2.1
132.71376	0.8
134.91624	2.1
135.04538	1.0
137.03584	4.3
137.99565	1.0
151.00395	3.7
153.01949	37.4
154.06186	5.6
159.69965	0.8
164.67943	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0558
Annotation	Hexahydrophthalic anhydride
Peak:m/z	Relative Intensity
68.34534	0.4
68.99821	0.9
70.57356	1.0
83.05024	1.6
91.05600	0.5
109.02990	3.3
109.06599	100.0
110.06934	4.1
111.04530	7.5
117.37292	0.5
153.01897	1.1
153.05594	6.8
153.86868	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	153.0559
Annotation	Hydroxytyrosol
Peak:m/z	Relative Intensity
50.16873	1.0
54.77423	0.9
60.34496	1.1
63.48348	1.0
63.71997	0.9
65.00339	1.3
66.03487	3.1
67.01880	1.2
68.99816	2.1
69.14558	1.4
69.14957	4.7
72.91352	0.9
81.03436	1.9
82.03003	1.8
82.85339	1.2
83.01402	2.1
83.04999	1.4
85.02964	2.1
95.01395	2.6
95.05035	1.8
97.03012	1.5
108.02191	7.4
109.02969	41.3
109.03728	2.1
110.00101	4.2
110.03281	1.7
111.00885	3.9
122.03751	1.2
123.00909	3.5
123.04540	100.0
124.04078	1.8
124.04877	3.7
125.02454	3.1
135.04527	1.3
137.99562	1.2
138.03233	1.8
139.00375	3.6
151.00348	5.5
152.91702	1.0
153.00751	1.3
153.01964	15.5
153.05577	12.3
154.02521	1.2
154.05099	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0624
Annotation	L-Histidine
Peak:m/z	Relative Intensity
55.01892	2.7
65.85582	1.6
66.03492	4.4
67.01907	2.2
67.03020	8.4
72.00912	15.8
74.02446	1.9
80.03800	14.7
81.03477	1.5
81.04588	17.6
82.03001	1.7
83.01389	4.6
83.43477	1.3
83.78177	1.4
93.04589	98.2
94.02969	2.1
94.04929	3.7
95.02543	1.7
108.05688	9.1
109.04077	6.6
110.02538	1.3
110.03271	2.9
110.07243	23.2
111.00875	3.3
111.04543	5.2
112.02819	2.4
118.04104	2.2
124.04073	2.4
127.04068	2.4
136.04222	1.4
136.05150	6.9
137.03577	53.0
138.03975	2.7
152.03531	3.7
154.05167	4.6
154.06235	100.0
154.99927	1.8
155.03616	1.9
155.06638	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	155.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85600	0.6
57.03439	2.3
59.01360	1.0
60.88281	0.6
69.81155	2.4
83.01390	2.2
83.05049	0.7
85.02957	100.0
85.06594	27.5
86.03293	2.7
86.06926	0.8
93.03455	1.4
106.22916	0.5
111.04538	1.1
113.06094	17.8
114.06363	0.6
127.93146	1.3
132.67081	0.5
133.45966	0.5
155.03548	0.7
155.07144	15.5
155.86594	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	157.0872
Annotation	Cleroindicin B
Peak:m/z	Relative Intensity
59.01387	32.1
64.19815	2.2
67.05560	2.5
67.70396	2.3
69.21860	15.2
71.01386	24.8
83.05028	2.4
90.73151	2.5
109.06595	13.0
111.08169	9.6
121.06618	5.7
127.00407	3.9
127.07664	72.9
139.07657	32.4
140.07913	2.5
157.08714	100.0
157.12337	4.7
158.09064	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	159.0148
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.3
59.01381	100.0
60.01714	1.9
61.01809	0.6
70.62486	0.3
71.01405	0.4
73.02930	0.7
74.99387	0.9
87.00910	0.5
99.92588	1.6
111.00895	0.4
114.94948	0.8
115.02517	4.9
116.02673	0.5
116.92873	4.4
116.98669	1.4
117.00448	9.1
117.95516	4.6
118.00559	0.7
119.00237	0.6
129.02007	0.7
143.13139	0.3
158.89360	0.6
159.01500	6.0
159.03008	0.6
159.84531	0.4
159.96651	0.9
160.01662	0.5
160.04095	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1028
Annotation	(R)-2-Hydroxycaprylic acid
Peak:m/z	Relative Intensity
57.01989	0.6
61.67145	0.6
62.56630	0.5
69.02796	3.4
69.03221	1.7
77.97665	0.6
86.60558	0.7
90.53025	0.6
99.92599	7.7
100.17054	0.6
113.09734	28.1
114.10075	1.1
114.94964	4.9
116.92873	17.0
141.09230	2.6
157.08723	2.2
158.53615	0.6
158.93916	1.9
159.10278	100.0
160.10590	5.8
164.54709	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.7
55.74096	3.9
57.03451	58.7
59.01385	73.5
69.03467	5.4
71.01382	70.7
71.05025	50.9
71.46649	3.5
72.99317	17.9
73.02942	29.4
75.00881	6.8
81.03457	12.7
83.01376	13.1
85.02954	71.1
87.00883	33.3
87.04542	10.4
89.02438	7.3
95.01400	7.3
97.02969	7.3
99.00891	7.5
99.04526	100.0
101.02453	35.3
102.33054	3.9
113.02480	11.2
115.04003	37.2
117.05573	48.1
118.02953	4.0
119.03675	4.4
131.03494	17.5
136.23196	3.9
143.03505	99.5
161.02438	7.8
161.04578	82.3
162.01947	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	161.0822
Annotation	Oleandrose
Peak:m/z	Relative Intensity
50.68341	1.6
57.03427	3.1
59.01372	10.0
68.58534	1.6
69.03438	2.1
69.20495	12.3
71.01385	27.6
71.05027	35.8
72.99290	2.0
73.02921	4.5
81.03481	2.0
81.22703	1.6
83.01381	2.3
85.02946	16.8
85.31713	1.6
87.00888	1.8
87.04517	24.3
89.02473	3.3
98.22550	3.1
99.04523	100.0
100.04865	4.3
111.50890	1.6
113.06145	1.8
115.04016	57.8
115.07637	12.5
116.92848	2.1
117.05590	35.2
119.97970	1.9
131.03508	6.8
131.21452	1.6
160.84230	26.2
161.04620	10.5
161.08205	89.9
162.08566	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	161.0821
Annotation	Oleandrose
Peak:m/z	Relative Intensity
57.03424	1.4
58.00600	1.4
59.01388	6.8
69.03473	2.8
70.84722	2.1
71.01392	22.5
71.05027	39.0
72.05379	1.4
72.99268	1.2
73.02938	4.1
81.03455	1.6
82.23904	1.4
83.01390	1.7
84.02170	1.2
85.02953	8.9
87.04524	21.3
95.01406	1.3
97.03034	1.2
99.04527	100.0
100.04870	1.9
113.02425	1.5
113.06036	1.5
115.04023	57.2
115.07658	13.8
116.04344	1.9
117.05586	37.9
118.02975	1.4
118.05917	1.4
131.03552	2.8
133.03012	1.3
148.08711	1.0
154.72392	1.0
161.02475	2.1
161.04613	9.0
161.08206	87.8
162.08533	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	162.0324
Annotation	2-Amino-5-chloro-5-hexenoic acid
Peak:m/z	Relative Intensity
56.98396	1.1
58.63483	1.1
59.01380	1.4
67.14452	1.2
71.01363	1.2
71.35352	1.4
93.03444	1.8
106.04260	6.0
115.92021	3.1
118.03015	3.1
119.01372	3.3
119.05038	21.9
120.02155	5.0
121.02971	3.2
123.04531	3.4
133.02991	6.6
134.03758	32.0
135.04587	6.2
145.02975	1.4
161.02454	11.3
161.89453	1.8
162.02000	7.0
162.03227	100.0
163.00322	3.7
163.04024	28.0
163.06023	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0402
Annotation	m-Coumaric acid
Peak:m/z	Relative Intensity
52.65675	0.3
58.50724	0.3
59.98423	0.2
72.71655	0.3
77.13681	0.2
91.01882	0.5
91.05556	1.4
93.03449	1.9
98.22625	0.6
106.04221	0.5
107.05034	6.4
109.02988	0.3
117.03483	1.6
119.05035	8.2
120.05379	0.3
121.02965	5.4
122.03269	0.4
129.96663	0.3
133.02957	0.3
134.03754	7.1
135.00916	0.7
135.04535	19.0
136.04857	1.0
145.02974	3.6
146.29048	0.3
147.04504	0.4
162.03224	1.2
162.83932	0.5
163.04018	100.0
164.04388	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	163.0766
Annotation	Isoeugenol
Peak:m/z	Relative Intensity
56.89965	0.4
64.84112	0.5
69.06084	1.0
69.06487	3.7
69.45162	0.5
71.01358	0.4
91.01911	0.9
93.03454	1.2
105.97521	0.5
107.05026	0.8
119.01395	0.6
119.05030	10.3
120.05315	0.5
121.02995	1.2
135.04530	2.6
136.05110	0.5
147.04523	0.7
148.05316	100.0
149.02480	1.7
149.05621	6.0
162.83897	6.2
162.89328	1.2
163.00383	1.8
163.04002	1.8
163.06331	0.7
163.07600	2.7
164.03520	0.6
164.04782	1.2
180.50359	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1125
Annotation	p-tert-Amylphenol
Peak:m/z	Relative Intensity
69.17641	9.2
70.11426	1.1
71.41445	1.5
75.77642	1.1
98.21772	1.9
112.44971	1.2
116.92058	2.8
119.05037	4.6
162.84018	1.4
162.92873	1.2
163.11293	100.0
164.11594	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	164.048
Annotation	Unknow
Peak:m/z	Relative Intensity
64.22839	0.7
66.75653	0.6
69.29126	1.5
69.29526	2.6
71.66218	0.8
74.99059	1.3
75.00871	1.1
87.00893	5.8
105.01939	4.1
107.05081	0.9
109.02974	4.5
110.03293	0.7
117.03483	2.8
119.05035	3.0
120.05352	1.2
120.76310	0.7
121.02962	6.8
130.01021	0.8
135.04573	6.0
137.02452	25.6
138.02890	1.2
145.02956	3.5
149.00969	8.4
163.04021	20.9
164.04802	100.0
165.01912	1.3
165.04008	2.5
165.05182	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	164.0481
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.5
70.03176	1.6
71.01391	0.6
71.70471	0.4
75.00874	0.7
79.77024	0.5
87.00875	6.2
87.89748	0.5
92.99872	0.5
93.03472	12.5
94.03809	0.6
96.95982	0.7
100.81511	0.5
105.01952	3.6
109.02959	0.7
120.04581	0.6
120.05380	2.0
121.02965	100.0
122.03249	3.7
123.04528	0.6
137.02435	1.6
139.04004	4.6
147.04579	0.7
149.01088	1.0
149.02435	6.2
149.24519	0.6
150.03218	1.5
164.03728	0.6
164.04814	16.9
164.06987	0.7
164.08359	0.7
164.89618	0.5
165.01929	6.5
165.04074	1.9
165.05530	2.2
180.00906	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0711
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
69.09383	2.5
69.09810	3.3
72.00912	44.3
86.34092	0.7
91.05569	1.9
93.03459	1.1
96.54829	0.8
98.22516	1.8
103.05565	2.2
119.05027	2.3
120.05348	1.7
121.02962	14.2
147.04535	100.0
148.04884	5.6
149.01064	0.8
149.06233	0.7
150.03285	1.1
164.03568	1.1
164.07173	42.3
165.01991	1.6
165.05556	0.9
165.07547	2.5
165.09152	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0718
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
52.22441	0.8
58.26796	0.8
58.50249	0.8
69.32556	4.8
70.21809	0.7
71.01360	0.7
72.00912	46.7
73.68408	0.8
75.00872	2.4
78.01098	0.8
83.83598	0.8
87.00884	13.8
91.05535	2.5
98.22519	1.0
98.44572	0.8
103.05537	5.0
105.01952	8.4
108.13634	0.7
111.81022	0.7
119.04981	2.0
121.02998	8.0
137.02475	1.1
147.04539	100.0
148.04869	6.5
150.03244	6.7
164.07182	43.9
164.08586	1.6
165.04051	5.2
165.05409	1.7
165.07524	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	165.0194
Annotation	4-Formylsalicylic acid
Peak:m/z	Relative Intensity
55.93211	0.6
59.01369	1.6
66.45071	0.5
66.81913	0.5
67.04769	0.5
69.54429	0.6
69.75292	2.2
69.93543	0.5
71.01379	1.3
72.99294	0.9
75.00867	1.6
75.88982	0.5
77.03977	1.5
79.01862	0.6
83.21907	0.5
87.00886	12.5
93.03459	7.0
97.02971	0.6
98.22437	0.9
99.00906	1.8
101.02472	0.7
105.01937	7.5
108.02184	0.8
109.02984	1.4
121.02963	100.0
122.03249	4.2
137.02473	6.4
137.06122	0.8
149.00983	1.9
150.03250	2.7
165.01938	16.1
165.04076	4.6
165.05563	1.7
165.09209	1.0
166.02582	0.7
166.05144	1.4
184.16664	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0406
Annotation	D-Xylonate
Peak:m/z	Relative Intensity
55.01865	1.0
57.03437	1.0
59.01384	7.9
63.27226	0.7
69.21883	4.8
71.01381	7.5
72.99318	6.2
73.02967	3.8
75.00875	14.0
85.02959	1.0
87.00882	100.0
88.01241	2.6
89.02460	2.9
93.90963	0.7
99.00889	11.2
101.02460	3.2
105.01942	73.4
106.02277	1.1
111.14435	0.8
117.01922	2.6
119.03533	1.3
129.01955	0.9
135.03015	1.8
147.03018	6.2
154.20346	0.7
165.04054	39.8
166.04335	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49613	0.6
59.01377	2.4
59.16378	0.8
65.00351	0.8
70.41381	2.0
72.99302	0.8
77.03976	1.5
79.05539	36.1
81.03449	4.5
82.86687	0.7
87.00888	3.2
93.03488	1.1
105.01940	2.9
105.03468	26.5
106.03751	0.8
108.02170	1.0
121.02971	30.4
121.06608	31.4
122.03742	2.2
122.06974	1.4
123.04538	53.4
124.04839	2.8
137.02444	2.7
147.04512	2.1
149.02448	29.1
149.03645	1.7
150.03261	8.1
159.36333	0.7
165.01927	2.2
165.05579	100.0
166.06018	4.6
167.03508	3.3
184.63306	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0558
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
59.01393	1.2
59.07837	0.6
65.00297	0.7
71.28335	0.8
79.05537	18.1
81.03464	6.5
87.00876	2.3
92.99855	0.8
93.03461	0.6
105.01987	1.6
105.03468	44.6
106.03809	1.9
115.57568	0.6
119.05021	0.8
121.02972	5.9
121.06613	8.5
123.04536	69.0
124.04869	2.7
137.02478	1.2
147.04550	2.9
149.02452	49.2
150.02872	2.2
152.96968	0.7
165.05577	100.0
165.09253	2.7
166.05988	5.4
167.03584	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	165.0559
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76349	0.8
58.91901	0.7
59.01378	2.1
60.03679	0.7
60.25762	0.7
65.00328	1.0
67.01575	0.8
67.01889	4.1
71.01368	1.2
75.00871	2.4
77.03970	4.9
78.95927	3.9
79.95767	0.8
81.03472	1.1
83.01418	0.8
93.03467	13.1
95.01402	1.3
98.21812	1.8
108.02151	1.3
108.04536	1.1
109.02959	6.5
120.95482	2.4
121.02969	74.0
121.06567	1.1
122.02496	1.3
122.03785	27.2
122.06192	1.4
123.00923	1.3
123.04100	0.6
123.04602	1.1
123.05659	1.6
124.01675	1.2
135.04602	1.1
136.01671	2.8
136.05301	1.2
136.94011	1.4
136.96815	1.2
137.02461	18.5
137.03526	1.2
137.06097	2.4
138.05623	0.8
147.03006	0.7
149.00972	3.2
149.02454	11.0
149.03601	1.1
150.03242	100.0
151.03609	3.8
164.85287	0.8
164.89563	4.0
165.01945	10.3
165.04135	1.7
165.05586	7.6
165.09134	0.7
166.02724	1.9
166.05121	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	165.0558
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56662	0.4
65.00332	0.7
65.03968	0.8
67.01896	0.7
68.99490	0.5
68.99828	1.0
69.03453	0.9
69.25753	2.6
69.83723	0.5
71.54491	0.4
77.03976	4.3
79.01925	0.6
82.67249	0.4
82.75447	0.5
83.01407	2.1
87.00868	0.5
91.05561	1.2
93.03454	3.2
95.01375	1.0
95.04981	1.0
97.02997	1.7
101.03970	2.7
103.05561	1.1
105.03545	0.6
108.02188	0.7
109.02988	4.6
116.19669	0.5
117.03500	0.8
119.05041	21.6
120.05426	1.0
121.02967	57.7
122.03267	1.5
122.03922	0.5
122.06128	0.7
123.00851	0.7
129.03479	24.7
130.04300	7.1
135.04535	0.5
137.02458	21.0
137.06073	1.1
140.95395	0.5
145.02953	2.8
146.03763	8.1
147.04536	100.0
148.04880	4.9
149.00975	1.6
150.03217	2.2
150.43050	0.5
151.00415	0.6
164.89629	0.7
165.01941	15.9
165.04196	1.2
165.05580	18.3
166.02620	1.3
166.04974	0.8
173.02477	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13969	0.3
65.00317	0.6
65.03945	0.4
67.01871	0.4
68.99786	0.5
69.03420	0.8
70.21725	0.7
72.69254	0.3
77.03965	2.6
83.01391	1.3
90.90681	0.4
91.01907	0.4
91.05535	2.1
93.03463	3.0
95.01357	0.5
97.02956	1.7
101.03978	4.0
103.05538	1.3
105.03442	1.1
109.02960	2.7
117.03503	0.7
119.05037	25.8
120.05386	1.7
121.02967	30.6
122.03317	1.2
129.03474	25.7
130.04289	6.8
135.04535	1.1
137.02455	13.5
137.06062	0.5
138.03140	0.7
145.02954	2.6
146.03748	7.8
147.04530	100.0
148.04878	5.6
149.00983	1.0
150.03236	1.5
165.01953	10.5
165.05583	20.3
166.02608	0.4
166.05991	0.8
173.02452	1.1
175.01099	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0921
Annotation	4-Oxahomoadamantan-5-one
Peak:m/z	Relative Intensity
65.00311	2.9
67.01892	2.4
67.50753	2.0
69.57954	10.2
77.03983	4.9
79.01915	4.1
80.58025	2.2
83.05030	2.6
85.02976	2.4
87.04523	4.7
92.99815	6.8
93.03473	7.1
95.05032	35.4
109.02954	3.4
109.06601	4.8
121.02961	100.0
122.03176	2.9
122.03872	2.6
122.06126	3.1
123.00883	2.3
123.08134	13.1
136.93269	2.2
137.02455	10.2
137.06042	2.2
149.00977	3.5
150.03244	5.4
150.06851	3.3
151.00336	3.9
164.83629	65.4
164.89844	2.0
165.01930	15.4
165.04210	2.2
165.05547	9.9
165.09225	39.7
166.01381	5.4
166.02708	2.6
166.05106	9.8
166.09491	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	165.0922
Annotation	4-Oxahomoadamantan-5-one
Peak:m/z	Relative Intensity
51.78434	0.9
59.01385	10.6
64.68762	0.8
65.00329	6.5
67.01889	1.2
68.99825	1.5
69.05712	7.6
69.09510	1.0
72.99303	0.9
75.00853	0.9
77.03981	2.5
79.01912	5.5
79.95750	1.0
80.02712	1.2
81.03464	100.0
82.03783	1.6
83.05042	1.6
87.00878	2.4
89.36602	0.9
92.99823	4.0
93.03465	3.2
95.01413	1.4
95.05026	2.4
97.02962	1.5
101.06097	7.9
105.01933	2.0
108.02170	1.8
109.02963	2.8
119.05035	1.8
121.02968	37.1
121.06593	3.2
122.03773	12.2
123.04559	2.2
123.08177	28.7
124.08518	1.2
135.04564	1.3
136.05305	5.3
137.02440	5.1
137.06102	2.2
137.09721	1.1
149.01003	1.1
150.03209	3.2
151.00386	2.3
151.67268	0.9
164.83647	11.2
164.89529	1.6
165.01979	4.7
165.04172	1.8
165.05574	16.3
165.09222	93.8
166.01398	2.1
166.05099	4.2
166.09630	5.0
183.21219	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1286
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
57.03450	24.2
57.35780	2.1
64.83531	2.6
65.00324	4.9
69.03445	3.0
69.28984	13.5
72.01742	2.8
77.03973	5.2
78.71267	2.1
83.05040	5.8
85.46140	2.2
92.99832	10.0
93.03465	4.8
97.06594	5.0
107.05019	6.0
109.02959	3.5
109.06604	4.2
111.08163	40.0
121.02965	100.0
121.06677	2.5
122.03725	2.5
122.06127	3.1
136.01608	3.5
137.02486	11.2
137.06111	2.7
147.04482	4.0
147.86699	2.4
149.00960	3.7
150.03249	9.7
152.57936	2.5
161.58768	2.3
164.83627	58.8
164.89580	5.0
165.01892	12.9
165.05585	5.8
165.09311	2.9
165.12857	63.8
166.01373	3.2
166.05127	6.7
166.13177	4.1
169.33684	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	166.0273
Annotation	Demethylphosphinothricin
Peak:m/z	Relative Intensity
55.49883	0.9
71.05007	1.9
81.03459	7.7
83.01374	1.7
93.03472	1.7
95.01421	3.1
95.05045	5.2
97.02973	3.6
98.22533	2.4
99.04525	9.4
108.02169	4.4
109.02966	2.4
111.43759	0.9
121.02981	3.8
122.03298	4.3
123.00850	5.6
123.04566	5.0
124.01667	4.8
125.02490	2.2
127.56757	1.1
136.05319	1.0
137.02470	9.7
138.03304	11.4
139.04030	6.0
151.00410	1.2
152.01190	9.2
155.03555	1.7
165.01942	8.1
166.02734	100.0
166.05081	3.4
167.01822	1.3
167.03491	16.3
170.02261	1.6
183.61815	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0272
Annotation	Demethylphosphinothricin
Peak:m/z	Relative Intensity
54.68944	1.1
55.56700	1.1
69.03468	1.9
69.36224	6.7
71.05006	3.8
80.02672	2.2
80.47124	1.1
81.03465	18.0
83.01420	2.7
86.90961	1.2
93.03465	2.5
95.01397	21.3
95.05024	9.0
97.02953	11.4
98.21729	1.1
99.04529	19.7
108.02166	7.7
109.02949	3.0
111.49701	1.2
121.02961	3.8
122.03316	3.8
123.00894	18.6
123.04527	8.3
123.08180	1.4
124.01661	7.1
124.04088	1.3
124.48476	1.5
125.02464	4.6
136.01639	1.4
136.05315	2.1
137.02452	9.8
138.03284	9.8
139.04013	15.6
149.02489	2.5
150.01091	1.3
151.00410	2.2
152.01152	16.8
152.02260	1.8
155.03574	1.8
165.01884	8.2
166.02728	100.0
166.05093	6.4
166.99741	1.6
167.03499	27.3
170.02238	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	166.0511
Annotation	Orthoform
Peak:m/z	Relative Intensity
66.03462	0.4
69.02460	2.3
69.02860	0.7
83.05029	0.5
93.03444	0.8
95.01353	0.8
108.02197	3.9
112.40146	0.4
121.02971	13.0
122.02522	0.4
122.03301	1.2
122.06114	0.9
123.00860	1.1
123.04557	1.9
123.08130	0.8
124.04029	0.6
124.98466	1.6
135.67580	0.4
136.01636	0.5
136.05307	12.5
137.05702	0.4
151.00331	1.0
151.02759	22.1
152.01161	6.2
152.03104	0.9
166.05095	100.0
166.99524	0.4
167.03497	1.5
167.05478	4.4
167.06888	0.6
183.01718	14.9
184.02057	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0511
Annotation	Orthoform
Peak:m/z	Relative Intensity
50.65310	0.4
67.01888	0.4
69.11067	2.4
69.11468	0.6
72.73080	0.4
77.93981	0.4
90.03478	0.4
91.20620	0.4
92.05066	1.1
93.03468	0.6
95.01382	1.6
95.01940	0.4
95.44775	0.4
108.02190	3.3
118.03021	0.5
120.04567	0.6
121.02961	1.1
121.05360	2.6
122.02496	0.5
122.03312	0.9
122.06145	0.6
123.00894	1.7
123.04549	1.8
123.08175	0.7
124.04027	0.5
124.98437	1.2
128.45634	0.4
131.46426	0.4
135.04543	1.5
136.04221	0.9
136.05310	26.8
137.05647	1.5
138.05598	0.4
151.00386	1.3
152.01158	7.2
166.05103	100.0
167.03505	2.6
167.05450	4.5
167.06979	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.035
Annotation	5-Methoxysalicylic acid
Peak:m/z	Relative Intensity
57.03450	1.9
59.01387	1.3
65.00321	2.4
66.06728	0.7
69.20981	1.9
69.21385	3.9
78.06174	0.7
80.02675	2.0
81.03465	11.9
83.01403	6.0
88.94527	0.7
91.01916	5.4
93.16987	0.7
95.01405	1.7
95.04974	1.7
107.01414	1.8
108.02184	57.8
109.02534	2.1
109.94595	0.7
117.94192	0.8
123.00895	1.2
123.04538	60.4
124.01619	1.2
124.04867	2.6
125.02439	4.5
151.00439	2.7
152.01166	100.0
153.01654	3.9
153.76308	0.7
167.03514	42.1
168.03929	1.5
179.65585	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0351
Annotation	Orsellinic acid
Peak:m/z	Relative Intensity
57.03455	2.2
57.31802	0.3
58.74320	0.4
59.01372	2.9
63.02413	0.4
65.00316	3.1
67.01888	0.8
70.83908	0.3
70.84264	0.6
73.30595	0.4
80.02687	0.7
81.03465	24.7
82.03808	0.6
83.01391	11.3
95.01393	1.2
95.05024	3.1
99.04548	0.7
107.01408	2.3
108.02187	3.0
123.00942	1.0
123.04537	100.0
124.01689	1.1
124.04864	4.6
125.02460	6.9
139.04053	0.4
149.02429	0.4
151.00395	4.3
152.01170	6.5
153.00648	0.7
164.67009	0.3
167.03510	70.8
168.03882	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	167.0352
Annotation	2,3-Dimethoxy-1,4-benzoquinone
Peak:m/z	Relative Intensity
55.08099	0.3
64.65628	0.3
65.00318	1.6
67.01878	0.5
69.39484	2.0
82.21392	0.3
89.00334	0.7
91.01881	0.8
95.01393	6.2
95.05022	0.5
96.02221	0.5
97.02964	1.1
97.08584	0.3
97.92410	0.3
98.22551	0.7
108.02182	5.1
111.00935	0.8
121.02996	1.1
122.03276	0.5
123.00890	4.6
123.04535	2.8
124.01676	30.9
124.98424	2.5
125.01925	0.8
139.04028	2.0
149.99605	0.5
152.01167	100.0
153.00653	2.9
153.01747	3.2
165.01938	3.4
166.99722	1.0
167.03516	49.6
167.10735	1.9
168.03981	2.7
180.94099	0.4
183.02943	0.4
184.00117	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0351
Annotation	5-Methoxysalicylic acid
Peak:m/z	Relative Intensity
55.84540	0.4
56.65575	0.3
65.00320	0.9
69.35653	2.2
80.02682	2.0
83.01408	0.4
91.01900	4.1
95.01402	1.2
95.27798	0.4
108.02182	60.0
109.02511	2.3
111.00890	0.7
123.00913	1.1
123.04536	18.0
123.08202	0.6
124.01674	1.0
124.04874	0.7
124.98425	0.5
130.10574	0.3
151.02753	0.4
152.01163	100.0
152.99606	0.4
153.00513	0.6
153.01613	3.5
167.03505	15.6
181.12776	0.3
189.54355	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0713
Annotation	Methylhexahydrophthalic anhydride
Peak:m/z	Relative Intensity
65.00309	0.3
65.07994	0.3
67.01883	0.3
71.28252	0.4
75.91581	0.3
81.07088	0.3
83.05022	2.0
95.01390	1.1
95.05006	0.5
97.06598	1.4
105.07117	0.5
108.02176	0.7
123.00913	0.9
123.08174	100.0
124.08517	4.4
124.98495	0.4
125.06089	6.6
132.86775	1.3
152.01187	1.4
153.00685	1.2
167.03534	0.6
167.07133	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	167.0714
Annotation	2-Hydroxy-3,5,5-trimethylcyclohex-2-ene-1,4-dione
Peak:m/z	Relative Intensity
55.01867	0.8
57.03453	2.3
59.01365	2.2
67.01900	4.1
67.86346	0.7
68.99824	3.4
69.03455	2.6
69.69332	4.3
71.05017	2.2
76.98433	0.8
79.01900	1.4
80.02686	0.8
80.41255	0.7
81.03455	16.9
83.01395	8.5
83.05029	96.3
84.05360	2.9
91.01920	1.0
93.03476	1.4
95.01390	6.7
95.05032	5.1
96.05292	0.7
97.02959	5.1
97.06595	6.3
98.95618	1.1
99.04524	14.6
108.02181	15.5
109.02988	1.1
121.02961	3.3
123.00896	7.6
123.04520	11.3
123.08164	3.9
124.01665	3.0
124.98394	1.2
125.02439	4.6
125.06091	100.0
126.06407	4.1
133.03001	1.5
139.04002	4.5
149.06116	0.9
152.01163	30.7
153.00620	5.3
153.01752	1.0
165.01910	1.3
167.01944	2.1
167.03493	22.6
167.07152	29.9
168.07533	1.5
169.05013	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01611	0.3
55.01879	5.4
67.01898	0.6
69.03457	0.2
69.05800	1.1
69.06136	0.3
80.02656	0.3
81.03446	0.9
85.14141	0.1
95.01376	0.2
95.05029	0.5
99.29042	0.1
103.43059	0.1
105.07107	0.6
106.04224	0.2
107.05032	3.0
108.02138	0.2
121.06600	3.0
123.08167	100.0
124.08491	5.0
152.01184	0.4
164.77327	0.2
167.03499	0.2
167.07137	7.1
167.49301	0.1
168.07431	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1079
Annotation	Chrysanthemic acid
Peak:m/z	Relative Intensity
73.15005	0.4
74.57202	0.4
95.01384	1.1
102.18992	0.5
108.02187	6.2
123.00899	1.8
123.04551	2.5
123.05606	0.4
124.01692	0.5
124.98455	3.3
139.04083	0.7
152.01166	11.3
153.00633	3.1
153.01709	0.5
166.83452	0.5
166.99739	0.9
167.03551	4.1
167.10789	100.0
168.11133	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	168.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96487	1.4
55.01868	2.6
58.02979	83.1
69.78407	5.4
71.05019	5.3
73.02960	3.8
75.67828	1.2
85.84000	1.3
87.04514	8.1
94.92575	1.3
95.01360	1.2
99.04532	3.6
99.08163	5.1
113.06116	4.2
123.00929	2.3
125.02449	12.3
127.07665	100.0
139.55867	1.2
141.09224	1.7
151.07722	1.6
153.00671	10.2
153.05582	16.9
167.87222	2.1
168.03111	1.6
168.13925	4.1
169.01459	3.3
169.08710	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	168.9815
Annotation	(R)-2-O-Sulfolactate
Peak:m/z	Relative Intensity
52.42817	0.2
66.86368	0.2
69.60662	1.3
71.01383	100.0
72.01723	2.5
78.95903	0.3
79.95770	0.8
80.96519	34.7
87.00870	2.5
94.98093	0.8
96.96017	0.9
98.21770	0.3
106.98100	1.3
115.46233	0.2
122.97585	1.1
125.00962	1.1
126.98066	0.3
126.98877	1.2
141.97572	0.4
142.00002	0.6
150.97076	57.7
151.97400	1.2
155.10124	0.2
168.98131	52.5
169.98462	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.9994
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	5.6
59.63406	0.9
70.33611	2.6
71.01382	5.7
72.99281	1.0
73.98587	1.0
74.99365	2.2
80.96512	0.8
81.25637	0.8
86.69007	0.9
87.00876	2.2
96.21254	1.1
109.98605	0.9
117.00435	1.1
125.00960	73.9
126.01041	5.1
126.98888	100.0
127.98997	9.0
141.97597	23.9
142.97665	2.9
143.94312	0.9
150.97058	3.4
168.98308	1.9
168.99933	34.0
170.00114	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	168.9994
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41314	0.7
59.01385	6.8
60.23701	0.7
69.03452	2.8
70.48663	1.7
71.01387	3.0
73.98611	0.8
74.99379	1.0
80.96516	1.4
81.03434	0.8
84.62458	0.7
87.00873	0.7
96.96034	2.6
97.02966	2.3
107.01370	1.2
117.00453	1.5
118.88087	0.8
125.00971	70.1
125.02422	36.3
126.01083	4.5
126.02814	1.5
126.98888	100.0
127.98993	7.3
141.97592	21.8
142.97667	1.4
150.97105	1.0
168.99942	34.5
169.01448	9.9
170.00052	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	169.0144
Annotation	Unknow
Peak:m/z	Relative Intensity
61.72674	0.3
62.85241	0.3
67.01900	1.1
69.03458	6.0
70.49461	0.7
70.49812	0.6
71.01391	2.2
73.78722	0.3
78.95895	1.0
79.01888	2.1
80.96522	0.5
81.03461	2.2
83.01376	0.6
95.01397	1.0
96.96029	0.6
97.02957	4.6
107.01419	1.1
123.00859	0.5
124.01659	1.2
125.02459	100.0
126.02796	3.3
148.52048	0.3
150.97078	0.9
151.00349	0.4
155.02086	0.4
168.98174	1.0
169.01445	26.6
170.01810	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0145
Annotation	Gallate
Peak:m/z	Relative Intensity
50.02880	0.4
52.72252	0.4
58.70678	0.3
58.73495	0.4
67.01907	0.7
67.10189	0.4
68.95753	3.3
69.03458	5.6
69.87850	0.4
79.01910	1.9
81.03454	1.9
83.01443	0.6
94.56603	0.5
95.01421	0.6
97.02962	3.8
98.22536	1.0
107.01421	1.2
120.39510	0.4
123.00814	0.6
124.01672	1.5
125.02458	100.0
126.02773	4.0
169.01434	27.3
170.01756	1.7
170.76074	0.5
184.63113	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0144
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27320	0.4
59.01369	1.8
67.01884	1.2
69.03455	4.8
69.45193	2.1
71.01391	0.9
74.99399	0.5
78.12991	0.4
79.01897	1.9
81.03458	1.8
89.19147	0.4
95.01374	1.2
97.02956	5.0
99.03043	2.6
101.00959	7.2
107.01373	1.2
117.00502	0.6
123.00880	0.5
123.06451	0.4
124.01668	1.5
125.01044	22.2
125.02450	100.0
125.09764	0.5
126.01090	1.4
126.02791	4.1
126.98888	51.4
127.98987	3.5
139.00343	0.5
140.03529	0.6
141.00464	0.8
141.97595	4.7
141.99980	1.5
142.97522	0.4
143.02003	5.2
144.02171	0.4
159.52534	0.4
168.83672	0.4
168.99933	15.6
169.01440	25.3
170.00119	1.3
170.01775	0.7
170.04601	0.4
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
54.80239	0.4
60.07962	0.4
64.44680	0.4
66.75392	0.4
67.01905	1.0
69.03463	5.5
69.32187	2.2
71.01377	0.4
73.33816	0.4
75.12672	0.4
79.01900	1.1
81.03471	1.5
83.01409	1.0
84.40864	0.3
95.01405	1.3
97.02951	5.1
98.21773	0.7
107.01393	1.1
123.00905	0.6
124.01664	1.6
125.02457	100.0
125.09708	0.6
126.02780	3.7
154.11491	0.4
169.01442	25.1
170.01819	1.4
175.26219	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0508
Annotation	3,4-Dihydroxyphenylethyleneglycol
Peak:m/z	Relative Intensity
54.40910	0.8
67.01888	1.9
68.99819	1.0
69.03442	1.9
71.01321	0.8
72.18146	0.6
77.82172	0.6
78.95927	0.9
79.66793	0.7
83.01388	1.8
97.02975	2.6
107.05016	0.8
111.00886	33.1
112.01263	1.4
123.04536	1.8
125.02455	23.2
125.06078	1.8
125.09747	2.4
126.02786	1.0
126.90372	1.2
139.00383	100.0
140.00735	4.0
151.00327	1.1
153.01978	2.2
154.02727	39.7
155.03117	1.6
168.83626	4.5
169.01414	7.9
169.05109	4.6
169.12424	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0871
Annotation	Aspinonediol
Peak:m/z	Relative Intensity
55.01883	2.6
55.02119	0.5
57.03440	1.2
58.02981	2.8
59.03302	0.9
65.00323	0.5
69.03473	1.4
69.73318	1.1
69.73699	1.9
71.05021	4.0
73.02953	3.9
87.04512	6.6
96.09790	0.5
97.02954	1.1
97.06628	0.9
99.04525	3.4
99.08163	6.6
109.06532	0.5
113.06066	3.0
125.02459	13.0
125.09757	1.1
126.79330	0.5
126.98255	0.5
127.07664	100.0
128.07991	3.9
136.05319	0.9
138.03217	0.8
141.09222	3.5
151.07658	1.7
153.05588	14.0
169.01411	4.4
169.08719	13.3
169.12373	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.5
57.03445	1.1
65.42643	0.5
69.03471	1.1
69.42239	2.5
71.05025	5.0
73.02943	4.0
85.06590	0.7
87.04527	6.2
91.62158	0.5
97.02960	1.4
99.04491	2.7
99.08167	6.1
113.06095	3.4
125.02464	12.7
125.09679	0.7
127.07664	100.0
128.08028	3.9
136.05287	0.7
138.03227	0.6
141.09256	3.1
151.07602	1.7
153.05595	13.6
154.05962	1.1
169.01474	4.2
169.05147	0.8
169.08723	13.6
169.12370	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1029
Annotation	(-)-Blastmycinolactol
Peak:m/z	Relative Intensity
64.64278	1.3
69.72666	4.6
69.98134	1.7
73.45666	1.2
75.35983	1.2
82.90990	1.6
87.41567	1.4
94.35049	1.4
98.21805	1.4
99.00893	3.7
99.08173	1.6
99.92594	15.6
115.92088	3.3
118.50483	1.2
125.09721	4.3
127.07668	6.1
127.11309	6.5
170.83218	1.7
171.01994	11.9
171.10287	100.0
171.91054	1.9
172.01631	1.6
172.10672	6.4
183.04666	1.4
186.26508	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.103
Annotation	9-Oxononanoic acid
Peak:m/z	Relative Intensity
56.56687	1.5
59.01373	4.9
61.02740	1.5
62.14096	1.5
69.46726	2.4
69.47137	6.0
89.20020	1.7
91.44272	1.6
99.00910	2.9
99.08179	3.0
99.92589	5.1
125.09757	5.7
127.07650	8.8
127.11301	7.9
153.09180	2.5
170.83325	3.9
171.01991	22.6
171.10286	100.0
171.13902	12.4
172.10609	5.7
182.90070	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0981
Annotation	Acetyl-DL-Leucine
Peak:m/z	Relative Intensity
58.02971	1.6
62.91968	0.3
67.01880	0.6
70.92949	0.7
71.01390	0.6
75.18858	0.4
81.59801	0.4
82.06640	0.8
93.03447	4.3
98.11848	0.4
111.00919	0.4
111.04558	0.6
116.77586	0.4
123.26802	0.4
126.14021	0.5
128.06107	0.4
128.10835	2.0
129.86679	0.4
130.08749	100.0
131.08231	0.9
131.09123	2.6
144.04503	0.7
146.70805	0.4
172.09793	9.9
173.04642	0.5
173.10211	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0091
Annotation	trans-Aconitate
Peak:m/z	Relative Intensity
55.01871	0.8
55.60862	0.3
57.03455	6.2
58.00597	0.5
59.01372	0.8
59.63741	0.3
63.87561	0.3
65.03968	0.4
67.01545	0.6
67.01892	10.6
68.99828	0.5
70.44608	0.6
71.01035	0.5
71.01389	6.8
72.99301	0.8
73.02953	8.0
81.03455	1.3
83.01395	1.4
83.05025	3.1
85.02956	16.3
87.00897	0.6
93.03465	16.2
94.03822	0.5
99.00884	3.8
99.04523	2.1
101.02447	0.7
111.00890	100.0
111.04521	4.6
112.01233	3.0
112.04819	0.3
112.98808	2.2
115.00373	0.4
116.46283	0.3
124.98817	2.1
129.01952	2.8
129.05574	0.6
131.08267	0.6
137.02446	3.0
142.99867	4.0
143.03493	0.7
154.99869	1.2
155.03581	1.8
161.95901	0.3
173.00914	1.1
173.04573	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0092
Annotation	5-(1,2-Dihydroxyethyl)-2,3,4(5H)-furantrione
Peak:m/z	Relative Intensity
50.04172	1.3
50.52701	1.1
53.00309	2.8
55.01885	7.0
57.03446	5.9
58.56100	1.2
59.01375	5.8
67.01902	8.5
68.99824	3.0
69.64059	6.1
71.01385	100.0
72.01702	1.8
72.99303	4.2
73.02959	15.1
80.99792	1.7
81.03443	1.3
83.01390	7.2
83.05011	4.2
85.02949	10.2
87.00871	5.2
93.03464	24.4
96.99303	3.6
98.21828	1.7
99.00887	36.4
99.04506	3.2
101.02430	1.9
111.00891	46.3
111.04527	8.7
112.98816	24.9
115.00351	1.5
124.97979	1.8
124.98824	31.5
125.99091	1.5
129.01962	2.8
131.08272	32.8
135.81912	1.2
137.02449	2.9
140.31676	1.2
140.98349	2.0
142.31465	1.2
142.99873	59.6
144.00165	1.8
155.03471	1.3
173.00922	10.1
173.04559	3.8
173.10387	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	173.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.6
57.03193	0.4
57.03452	6.7
58.00586	0.8
58.16302	0.3
59.01369	0.9
65.03950	0.8
67.01891	11.3
68.99805	0.4
69.03462	1.1
69.05800	0.2
69.29198	1.4
71.01382	7.0
71.05016	0.5
72.07069	0.2
72.99305	0.8
73.02950	14.9
81.03452	1.9
83.01411	1.1
83.01862	0.2
83.05030	6.3
85.02951	16.2
87.00856	0.4
93.03461	30.1
94.03819	1.2
94.96706	0.2
98.22611	0.3
99.00879	4.6
99.04524	4.2
101.02462	1.0
107.21843	0.2
109.02959	0.6
111.00887	100.0
111.04519	9.1
112.01219	2.8
112.04842	0.4
112.98811	1.7
115.00350	0.3
124.98824	1.3
129.01959	2.7
129.05582	0.3
130.02257	0.2
131.08267	1.1
137.02455	6.1
137.03453	0.2
142.99893	2.9
143.03494	1.2
152.19131	0.2
154.99869	0.9
155.03494	2.0
173.00970	0.6
173.04550	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.6
57.03193	0.4
57.03452	6.7
58.00586	0.8
58.16302	0.3
59.01369	0.9
65.03950	0.8
67.01891	11.3
68.99805	0.4
69.03462	1.1
69.05800	0.2
69.29198	1.4
71.01382	7.0
71.05016	0.5
72.07069	0.2
72.99305	0.8
73.02950	14.9
81.03452	1.9
83.01411	1.1
83.01862	0.2
83.05030	6.3
85.02951	16.2
87.00856	0.4
93.03461	30.1
94.03819	1.2
94.96706	0.2
98.22611	0.3
99.00879	4.6
99.04524	4.2
101.02462	1.0
107.21843	0.2
109.02959	0.6
111.00887	100.0
111.04519	9.1
112.01219	2.8
112.04842	0.4
112.98811	1.7
115.00350	0.3
124.98824	1.3
129.01959	2.7
129.05582	0.3
130.02257	0.2
131.08267	1.1
137.02455	6.1
137.03453	0.2
142.99893	2.9
143.03494	1.2
152.19131	0.2
154.99869	0.9
155.03494	2.0
173.00970	0.6
173.04550	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.082
Annotation	Suberic acid
Peak:m/z	Relative Intensity
57.03450	5.8
59.01382	0.8
62.91553	0.4
63.28947	0.4
65.90817	0.4
67.01901	0.4
69.21983	2.6
71.01411	0.4
73.02934	0.9
76.46426	0.4
81.03463	1.0
83.05035	14.0
83.05510	0.9
84.05346	0.5
93.03468	3.5
109.06601	3.7
111.00907	1.1
111.08173	100.0
112.08517	3.9
129.09224	5.3
131.07251	0.6
131.08273	1.7
155.07175	1.7
173.08205	29.8
174.08569	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04102	0.5
60.73550	0.2
61.38518	0.2
69.83295	0.6
69.83621	0.3
83.06151	0.4
85.07702	0.3
93.03461	0.7
96.96033	0.4
111.53912	0.2
112.08819	0.6
113.07230	0.4
114.05618	1.3
117.54748	0.3
131.08276	100.0
132.08611	2.9
141.72086	0.2
144.99950	0.4
156.07785	2.0
164.23405	0.2
173.10440	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	173.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57573	0.3
58.04086	0.5
59.01373	0.4
60.72039	0.3
63.37494	0.3
65.51607	0.3
70.96590	0.5
71.01379	1.0
72.99308	0.4
79.57298	0.3
83.06133	0.4
85.02945	0.4
92.10249	0.3
92.95748	0.3
93.03474	0.5
108.40971	0.3
111.00874	1.9
112.08830	0.4
112.98825	0.3
113.07220	0.4
114.05648	1.7
125.38288	0.3
126.40231	0.3
131.08276	100.0
132.08646	2.4
142.99872	1.1
156.07794	2.4
173.04611	0.4
173.10472	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	173.1185
Annotation	2-hydroxynonanoic acid
Peak:m/z	Relative Intensity
57.03468	0.4
62.77018	0.4
69.12966	1.8
69.13390	1.2
93.03480	1.2
93.74854	0.4
111.00878	0.6
111.04501	0.5
125.09765	0.5
127.11313	13.0
128.11705	0.6
155.10818	2.5
171.10284	1.7
173.11839	100.0
174.12170	4.8
194.28854	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0194
Annotation	Esculetin
Peak:m/z	Relative Intensity
50.76201	0.2
63.02390	2.3
63.82950	0.2
65.00330	2.5
65.03975	0.5
67.01881	1.2
68.99820	0.5
69.03810	0.5
69.04221	1.3
77.03945	0.3
89.00330	0.8
89.03973	4.4
91.01897	4.7
93.03479	0.3
95.05039	1.0
98.21733	0.4
105.03465	1.6
107.01403	2.2
109.02965	2.8
121.02995	1.2
123.04522	1.5
133.02980	7.5
135.00911	3.0
149.02434	1.4
162.03197	0.8
177.01941	100.0
178.02274	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	177.0559
Annotation	Unknow
Peak:m/z	Relative Intensity
59.08960	0.3
60.05263	0.3
65.00314	0.3
69.52886	0.7
69.53285	0.7
74.48392	0.3
77.26366	0.3
81.92359	0.3
84.00774	0.3
86.81354	0.3
93.03455	0.5
95.05036	0.4
105.03503	0.7
109.75307	0.3
117.03474	48.4
118.03686	0.6
118.04243	2.2
121.02966	30.6
122.03292	1.6
123.04534	11.3
124.04868	0.4
132.02162	0.4
133.02974	6.8
133.06616	0.6
134.03766	3.3
134.43536	0.3
145.02966	64.7
146.03297	3.0
147.04520	0.6
149.02451	1.2
162.03244	11.9
163.03621	0.4
177.05577	100.0
178.05914	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	178.9507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35986	0.1
53.80950	0.1
55.60725	0.1
59.01382	5.7
62.06510	0.1
71.01400	0.2
71.26466	0.1
77.15022	0.1
78.95920	0.1
79.95761	0.2
85.02993	0.2
87.00903	0.4
94.99306	0.1
95.95226	0.2
96.96018	1.7
99.00846	0.1
112.15296	0.1
118.99326	1.5
119.93689	0.9
120.93848	0.1
134.96101	26.3
135.93169	0.1
135.96162	1.9
136.94019	100.0
137.94086	6.4
138.94426	0.1
144.39577	0.1
151.92729	16.1
152.92784	0.9
153.93179	0.1
154.95053	0.4
161.04538	0.3
169.93762	0.1
178.95071	46.2
179.01253	0.6
179.05627	0.2
179.95169	3.7
196.96092	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.9507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.6
59.22176	0.1
61.98839	0.5
69.25689	0.4
70.03033	0.1
71.01399	0.2
72.82918	0.1
73.02951	0.1
78.95913	0.4
79.95762	0.3
85.02961	0.1
87.00894	0.7
89.02453	0.1
91.51899	0.1
95.95241	0.2
99.00903	0.1
117.01981	0.2
119.93671	0.7
125.02484	0.1
134.96100	20.6
135.91806	0.1
135.96155	1.6
136.94016	100.0
137.94087	6.6
138.94429	0.2
151.92726	15.8
152.92804	0.9
153.93199	0.1
154.95056	0.4
161.04529	0.4
169.93829	0.2
178.95065	45.2
179.05685	0.4
179.95177	3.4
196.96085	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.9988
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.0
60.51510	0.5
63.02404	60.0
64.02729	1.4
65.00329	21.9
71.01386	1.5
78.95908	0.6
83.01394	27.2
85.02950	1.0
87.00883	5.1
98.21762	1.4
99.00915	0.7
107.01403	52.1
108.01761	1.4
117.01962	1.1
121.02988	0.9
125.02473	0.6
135.04541	2.7
147.59227	0.5
149.02481	0.6
151.00383	100.0
152.00735	3.9
158.73906	0.5
161.04572	1.5
161.56804	0.6
164.01164	1.1
164.04742	0.6
169.01440	26.1
170.01791	1.4
178.81529	0.7
178.99873	48.7
179.05609	3.0
179.10683	0.6
180.00220	3.1
184.69427	0.5
191.89151	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0351
Annotation	5,7-dihydroxy-4-methylphthalide
Peak:m/z	Relative Intensity
51.02362	0.9
51.19606	0.7
56.09042	0.8
58.31410	0.7
59.01377	2.5
63.02386	2.3
65.00330	3.9
68.20610	0.8
70.40497	1.8
71.01379	2.3
75.02414	1.6
77.03970	2.8
79.01900	100.0
80.02237	3.2
83.01404	1.0
85.02948	1.8
87.00888	7.5
95.01405	2.8
97.02931	0.8
99.00899	2.8
101.02441	1.6
103.01910	7.6
105.03464	22.7
106.03792	0.8
107.01398	2.5
107.05068	1.2
108.02185	7.5
109.03011	1.1
111.04533	47.7
112.04870	1.3
117.01936	1.9
120.02174	3.5
121.03005	1.1
121.04858	0.9
124.01675	1.0
135.00905	1.4
135.04546	20.9
136.01680	30.4
136.04910	1.0
137.02068	1.4
151.00397	2.9
151.04036	1.4
161.04561	3.2
163.00415	1.5
163.04044	1.1
164.01176	83.6
164.04814	30.0
165.01523	4.0
165.05057	1.4
177.54341	0.9
178.99911	2.4
179.03522	42.3
179.05516	2.0
179.06958	5.1
179.10780	1.0
180.03882	1.7
197.04623	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0351
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
58.11913	0.2
59.01374	0.6
69.36079	1.3
71.01388	0.3
73.02947	0.3
83.01401	0.2
84.96381	0.2
85.02952	0.6
87.00883	1.6
89.03985	0.3
91.05561	0.5
95.05033	0.2
99.00924	0.3
101.02485	0.2
106.04268	0.3
107.01406	0.2
107.05042	1.9
107.17101	0.2
109.02982	0.2
117.01939	0.3
117.03468	0.7
125.02466	0.4
129.14171	0.2
134.03755	7.7
135.04536	100.0
136.04861	4.9
151.00409	0.4
161.04578	1.1
164.01160	0.3
179.03519	13.6
179.05551	0.9
179.07036	0.4
180.03857	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0351
Annotation	Cordytropolone
Peak:m/z	Relative Intensity
50.33359	0.3
58.00595	0.5
59.01381	4.3
60.12367	0.3
63.02376	0.5
63.17121	0.3
65.00302	0.3
67.51104	0.3
71.01382	2.7
81.03470	1.4
83.01389	1.9
87.00880	1.3
88.17793	0.3
89.02451	1.0
90.68400	0.3
91.01893	1.8
91.58978	0.3
93.03464	0.6
95.01395	0.5
107.01396	0.4
107.05047	1.0
108.02182	3.7
109.02959	4.6
109.06606	1.0
113.02448	0.4
119.01382	4.5
121.02982	0.4
123.00861	0.7
123.04527	0.8
135.04535	1.0
135.08261	0.3
135.95306	0.3
136.01674	11.1
137.02458	9.5
137.06133	0.3
141.13745	0.3
141.27667	0.3
143.65662	0.3
149.02391	0.5
150.03172	2.0
151.00409	2.4
151.03992	3.1
152.04329	0.4
161.04613	0.6
164.04810	1.8
179.03505	100.0
180.03841	5.5
181.09560	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0562
Annotation	Scyllo-inositol
Peak:m/z	Relative Intensity
50.35820	0.9
57.03432	1.7
58.00585	3.2
59.01386	45.0
69.03450	2.0
71.01388	31.0
71.05019	2.5
71.26595	1.3
72.99318	12.9
73.02644	0.8
73.02954	9.1
75.00879	100.0
76.01199	1.4
78.95930	2.3
81.03465	6.5
83.01381	2.6
85.02955	14.2
87.00880	18.7
87.04526	1.1
89.02455	15.9
95.01392	1.4
96.96979	1.3
97.02955	4.5
99.00882	7.4
99.04502	1.8
101.02464	2.3
113.02467	3.0
117.01955	2.2
125.02434	3.1
129.97484	0.9
131.03508	3.3
143.03497	10.3
161.04573	21.7
167.89499	1.0
173.20757	0.9
179.05615	53.4
180.05939	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	179.0563
Annotation	Scyllo-inositol
Peak:m/z	Relative Intensity
53.04879	2.0
55.01864	2.5
57.03432	2.6
59.01384	54.6
69.03458	5.0
71.01388	44.1
71.05040	2.5
72.99308	13.5
73.02956	14.8
75.00877	100.0
78.95921	19.5
81.03459	5.2
83.01388	3.8
85.02956	22.0
87.00887	70.8
88.16614	1.9
89.02465	17.4
90.98558	2.6
95.01385	3.2
96.96976	5.8
97.02940	7.2
99.00902	21.7
101.02464	7.3
107.01402	2.2
113.02461	4.9
117.01952	12.5
125.02429	11.0
131.03513	3.6
132.64490	2.1
135.04520	13.8
141.01927	6.4
143.03511	9.7
151.04085	2.9
159.02997	3.3
161.04561	39.8
164.01228	3.3
173.68863	2.2
179.03459	4.0
179.03741	4.1
179.05627	77.8
179.07204	4.5
180.06133	2.4
180.98268	2.2
199.78407	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	179.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02996	0.5
58.00591	1.8
59.01381	30.8
71.01390	18.4
72.01740	0.6
72.99304	2.1
73.02929	0.6
85.02964	2.4
87.00886	2.3
89.02454	7.9
94.45601	0.6
95.01398	0.7
99.00915	0.7
101.02425	2.7
103.77300	0.6
107.01393	0.7
113.02480	2.3
119.03511	0.6
135.04526	1.0
137.02469	4.1
151.00433	0.6
161.04614	0.8
163.04048	4.5
164.04807	100.0
165.05136	4.0
179.05708	1.3
179.07149	6.4
180.07407	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
58.63320	0.5
59.01383	3.7
66.63932	0.5
69.38605	3.7
70.42156	0.7
71.01373	2.4
87.00873	2.1
89.02451	1.2
93.03478	1.9
99.00870	1.0
101.02441	0.7
109.02956	1.8
117.28396	0.6
121.02964	60.6
122.03288	1.1
125.02444	0.7
135.04549	1.3
136.01649	0.7
137.02435	2.1
139.04030	1.3
146.03809	1.2
149.02466	2.6
151.03993	0.8
161.04623	1.3
164.04802	100.0
165.05171	4.3
179.03564	1.1
179.05672	0.8
179.07126	7.8
180.07458	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	4.4
69.38484	2.5
69.38892	1.3
71.01380	3.2
71.56377	0.6
85.02952	0.7
87.00874	4.1
89.02432	1.6
93.03468	1.9
95.01369	0.7
97.02954	0.7
98.21822	0.7
99.00885	1.3
101.02425	0.8
109.02986	1.2
117.01929	0.7
121.02962	64.0
122.03318	2.4
123.04522	0.6
133.95930	0.6
135.04515	2.4
136.01659	2.3
137.02449	1.6
139.04025	1.5
149.02458	4.1
151.03990	1.1
159.06253	0.6
159.23906	0.6
161.04578	3.0
164.04802	100.0
165.05168	4.8
179.03519	1.8
179.05603	3.3
179.07159	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	179.1079
Annotation	OLIVETOL
Peak:m/z	Relative Intensity
54.96318	0.3
55.01868	0.8
57.03450	2.6
59.01377	4.1
63.02407	0.6
65.00312	0.9
67.01894	0.9
67.05527	1.0
68.62791	0.3
69.03449	1.2
69.64259	1.7
71.01389	0.7
73.02949	2.5
77.03966	0.4
79.01897	1.3
79.95834	0.3
80.02680	2.4
81.03469	2.2
83.01395	1.4
83.05038	2.7
85.02937	0.7
87.00875	2.5
87.99533	0.3
92.11088	0.4
93.03459	5.0
95.01399	0.8
95.05033	81.3
96.05376	2.6
97.02939	0.5
97.06567	0.5
99.00888	0.5
99.08173	1.3
101.02471	0.4
101.06091	4.3
107.01408	0.6
107.05045	0.5
108.02162	0.4
109.02968	2.3
109.06579	2.3
117.02013	0.3
119.08691	1.5
121.02950	1.4
121.06609	1.9
122.03746	5.1
123.08172	9.0
124.08510	0.5
125.09684	0.5
135.04567	2.8
135.08203	2.7
136.05318	5.5
137.02458	0.8
137.06079	1.1
137.09732	22.9
138.09949	0.7
139.03961	0.4
149.06114	1.7
151.00404	0.8
151.07655	0.9
151.11275	0.7
161.04539	1.3
161.09712	0.9
163.07616	0.6
164.01158	0.5
164.04791	0.8
164.08450	3.8
169.01413	0.4
177.09201	0.5
177.87584	0.4
178.99901	0.7
179.03500	1.4
179.05614	1.2
179.10782	100.0
180.11122	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	180.0668
Annotation	L-Tyrosine
Peak:m/z	Relative Intensity
59.01369	3.7
71.01368	4.6
71.27219	1.2
72.00914	42.1
73.02951	1.4
74.02471	4.9
78.95895	2.8
78.98586	1.2
80.02518	1.7
80.96516	1.5
81.03507	1.4
89.02455	2.8
93.03463	28.6
95.58640	1.2
101.02436	3.8
106.04244	3.2
107.05014	2.2
108.02139	3.2
109.02957	12.8
114.80137	1.1
119.05037	88.1
120.05368	3.0
123.03157	2.0
129.54167	0.9
134.06125	3.8
136.01654	3.0
136.07698	2.2
137.02470	4.4
137.94121	4.4
138.93669	3.2
150.03177	1.1
150.04242	3.3
150.05534	1.4
162.05672	2.6
163.04019	100.0
164.04404	5.6
166.02718	2.2
175.96960	1.2
179.95128	2.7
180.05315	6.8
180.06673	95.3
180.94693	1.3
181.01750	1.5
181.07054	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	181.0507
Annotation	Syringaldehyde
Peak:m/z	Relative Intensity
51.47911	0.4
59.01374	1.1
64.46737	0.4
67.01888	1.3
69.21236	2.6
71.01375	1.2
75.46049	0.4
89.02457	0.5
93.03459	0.6
94.79160	0.4
95.01390	2.8
95.48351	0.4
98.22668	0.7
101.02454	1.1
108.37819	0.4
118.77260	0.4
123.00894	20.8
125.58054	0.5
137.02490	1.9
151.00380	94.0
152.00757	3.0
161.30728	0.4
165.00140	1.4
165.01891	2.9
166.02725	100.0
166.99753	0.7
167.03043	3.9
176.31845	0.4
181.05075	11.4
182.05420	0.5
185.13100	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0508
Annotation	FLOPROPIONE
Peak:m/z	Relative Intensity
51.41180	0.7
55.01876	1.7
55.08850	0.6
57.03442	1.7
59.01373	2.0
65.00320	1.4
67.01904	1.1
71.01375	1.4
71.05019	3.7
77.03963	1.4
77.44983	0.7
79.01894	7.5
80.02669	1.0
81.03465	6.0
83.01395	6.3
83.05046	2.2
93.03469	2.4
95.01402	1.1
95.05032	33.7
97.02955	6.2
98.21725	1.7
98.76768	0.7
113.09737	1.6
119.05054	1.3
119.35986	0.7
121.02956	5.0
122.03754	6.5
123.00898	1.2
135.04549	0.8
137.06094	88.1
137.09726	69.4
137.10818	1.5
138.06422	4.5
138.10094	3.5
139.04022	24.2
151.00371	1.8
163.04027	2.6
165.01950	8.3
166.02646	1.1
178.99840	0.9
181.05078	100.0
181.08615	15.0
182.05368	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	181.0719
Annotation	L-Iditol
Peak:m/z	Relative Intensity
55.01869	6.8
57.03450	4.3
58.00592	4.8
59.01381	75.7
69.03458	2.9
69.44292	7.7
71.01385	100.0
72.99316	1.7
73.02952	18.7
78.95919	10.2
79.01813	1.5
83.01400	11.5
85.02962	18.0
87.00859	1.6
89.02453	64.1
92.97670	1.6
93.03470	8.9
94.02932	2.9
95.01393	5.9
97.02947	5.9
98.22494	2.9
101.02451	80.8
108.02200	2.6
108.04539	1.5
109.02956	4.3
113.02438	7.9
115.04020	3.5
119.03505	13.1
123.00876	8.1
131.03513	8.0
137.02458	13.9
138.05594	2.7
148.58018	1.4
149.04459	2.6
151.00430	2.4
153.01912	1.5
161.04543	1.6
163.06136	16.0
166.02783	3.3
166.99921	2.4
180.95702	2.1
181.01428	4.8
181.07199	50.6
187.24347	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82468	2.2
53.96228	2.3
55.01868	4.0
57.03442	2.9
58.00599	5.3
59.01383	74.2
63.38094	2.4
69.03460	2.5
70.89251	2.8
71.01385	100.0
72.99348	3.1
73.02956	23.8
74.56827	2.2
83.01378	7.0
85.02959	16.8
87.00877	3.6
89.02451	56.7
97.02960	5.0
101.02452	81.5
108.02189	3.4
109.02968	10.4
113.02444	8.3
114.72551	2.7
119.03515	11.7
131.03500	5.4
137.10562	2.6
144.29773	2.4
163.06119	12.1
181.05705	4.9
181.07188	50.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55832	0.7
57.03444	3.1
59.01374	1.0
65.00334	3.9
65.00613	0.8
65.91559	0.7
71.01385	1.3
77.03996	0.8
79.01878	1.0
81.03433	1.1
83.01384	1.0
85.02899	0.8
85.06580	2.5
87.04523	2.0
95.01390	2.6
95.05037	4.7
97.02950	1.5
101.02470	0.8
106.43525	0.6
109.06599	5.5
111.00877	4.4
111.04531	12.3
113.09732	36.2
114.10060	1.3
119.55604	0.8
121.02939	1.1
136.98851	1.8
137.06097	9.5
138.03249	1.5
138.06439	1.0
139.04007	2.8
139.07646	1.1
148.90071	0.8
153.05592	0.9
163.04042	3.6
163.07622	0.8
165.01967	0.9
166.02762	1.2
166.06352	7.8
167.03596	0.7
181.05109	38.8
181.08713	100.0
182.05428	1.5
182.09018	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	181.0861
Annotation	3,4,5-Trimethoxytoluene
Peak:m/z	Relative Intensity
57.03454	5.1
57.11613	0.4
59.01372	1.2
60.18391	0.3
65.00331	3.7
67.96542	0.3
68.99800	0.4
71.01375	2.4
71.28082	0.7
73.02960	0.6
83.05022	0.6
85.02959	1.1
85.41548	0.3
87.04519	1.6
89.02450	1.2
92.99838	1.0
93.03461	1.0
95.01392	0.6
101.02436	2.8
108.05022	0.4
109.02962	0.7
109.06586	1.1
111.04500	0.9
111.08170	0.9
113.09737	28.8
114.10053	1.2
123.00904	1.5
127.07668	1.0
136.98831	3.0
137.02432	1.1
137.06058	0.4
151.00378	1.5
151.03934	0.5
166.02698	1.8
166.06378	4.3
180.84280	0.6
180.85931	0.8
181.01553	0.9
181.08716	100.0
181.92969	1.0
182.09065	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	181.0868
Annotation	1-Hydroxy-4-oxahomoadamantan-5-one
Peak:m/z	Relative Intensity
50.55371	0.4
57.03456	4.2
59.01366	0.6
60.48283	0.4
62.74569	0.5
65.00321	1.8
65.21335	0.4
66.71291	0.4
71.01389	0.9
83.05023	1.2
85.02964	0.6
87.04522	1.6
87.35002	0.4
101.02463	0.6
102.73732	0.4
109.06613	0.6
110.95282	0.4
111.04525	1.0
111.08163	1.1
113.09737	38.7
114.10086	1.3
120.85263	0.4
127.07656	0.7
134.17862	0.4
136.98824	1.5
144.41275	0.5
166.06371	4.5
180.84137	0.5
181.08720	100.0
182.09050	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	181.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15355	0.3
57.03449	4.3
59.01374	2.2
61.98828	0.9
62.84674	0.3
65.00324	1.0
67.01849	0.3
68.99798	0.4
71.01396	3.8
73.02950	0.9
83.01394	0.8
83.05025	1.4
85.02951	1.4
87.04505	1.5
89.02442	2.8
93.03466	1.7
95.01393	2.7
97.02931	0.5
97.06612	0.3
98.22552	0.9
101.02448	2.8
106.70972	0.4
109.02937	1.2
109.06595	1.3
111.04509	0.8
111.08196	0.6
112.05283	0.4
113.02517	0.4
113.09734	26.9
114.10051	0.8
118.20620	0.4
121.02967	15.3
122.03292	0.7
123.00901	4.6
127.07665	1.0
135.04532	0.9
136.98801	1.3
137.02426	0.8
137.06071	0.7
151.00377	5.3
151.03934	0.3
152.91821	0.4
157.08690	0.4
166.02730	6.5
166.06360	34.9
166.99860	1.3
167.06725	1.9
181.05475	2.0
181.08713	100.0
182.09038	4.7
186.61005	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.8
61.98847	0.5
63.35557	0.2
65.00317	0.5
69.73093	0.5
69.73444	0.9
71.01392	1.3
72.08339	0.3
73.02981	0.3
79.94694	0.3
85.02957	0.4
88.61917	0.3
89.02452	1.0
93.03472	2.4
95.01388	1.1
101.02426	0.9
109.02982	0.8
121.02968	46.7
122.03302	1.2
123.00914	2.4
125.02451	0.4
135.04514	3.2
136.98817	0.4
137.02461	0.6
137.09711	0.8
151.00327	2.4
152.91878	0.3
166.02710	3.2
166.06364	100.0
166.99879	0.7
167.06705	4.7
180.93901	0.3
181.01459	0.4
181.05096	0.7
181.07225	0.7
181.08713	8.4
184.43652	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.7
59.01377	0.2
63.44453	0.2
67.01903	0.6
71.01384	0.3
79.01887	0.2
80.02676	0.2
81.03463	3.6
82.03775	0.2
83.05035	2.6
89.02428	0.2
93.03445	1.3
95.05028	1.2
98.21799	0.5
113.09744	0.9
113.31043	0.2
119.08648	0.8
120.61501	0.2
121.06562	1.0
125.06052	0.2
135.08121	1.1
137.09734	100.0
138.10065	4.6
151.00311	0.3
159.25888	0.2
166.02730	0.4
181.05151	0.3
181.08714	10.9
182.09052	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.046
Annotation	4-Pyridoxic acid
Peak:m/z	Relative Intensity
50.22784	0.3
56.49726	0.3
63.36805	0.4
67.06796	0.3
69.47583	1.1
71.01404	0.3
71.55523	0.3
75.10280	0.3
83.05032	0.3
92.05065	4.1
94.02986	1.5
95.01401	0.7
96.65147	0.3
96.96011	1.3
102.90604	0.3
108.04563	56.8
109.04887	1.3
110.02511	0.4
110.06115	0.9
120.04573	5.7
122.02484	1.1
123.00915	1.9
123.03242	1.3
136.04056	0.9
138.05621	100.0
139.05974	4.1
152.03543	1.2
158.48927	0.3
166.99872	1.1
182.04590	21.3
183.03265	0.6
183.04863	0.8
183.06409	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0299
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98402	0.4
51.00602	0.3
52.25278	0.3
53.57631	0.3
54.96872	0.4
63.44498	0.3
65.00326	1.1
67.01885	1.2
68.99828	0.6
69.48569	0.9
69.48970	0.7
71.01385	1.1
72.99305	1.2
82.00609	0.4
83.01421	1.7
87.00900	0.4
95.01402	0.7
98.22530	0.5
99.00891	0.5
110.00134	1.9
111.00889	9.1
113.35506	0.4
123.00886	1.3
124.01675	7.2
127.00388	4.0
136.98810	6.5
139.00381	9.0
139.94615	0.3
140.01173	14.2
151.00381	0.7
154.99869	1.4
168.00655	18.3
169.01041	0.6
183.02994	100.0
183.10262	3.6
184.03329	4.3
198.02257	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.03
Annotation	Methyl 3,4,5-trihydroxybenzoate
Peak:m/z	Relative Intensity
64.91230	0.4
65.00323	1.1
67.01881	1.2
68.99828	0.5
69.17320	2.4
71.01372	1.4
72.99313	1.1
78.01071	0.5
81.27615	0.4
82.00603	0.7
83.01389	1.3
87.00907	0.7
90.70449	0.5
95.01424	0.7
96.99362	0.6
99.00886	0.5
106.00574	0.8
110.00105	1.8
111.00887	10.4
123.00900	1.6
124.01670	9.9
127.00408	3.7
136.98828	6.1
139.00395	8.9
140.01176	15.5
141.01498	0.8
151.00418	0.6
154.99893	0.9
167.99217	0.8
168.00658	17.2
183.03000	100.0
184.03343	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	183.0662
Annotation	Unknow
Peak:m/z	Relative Intensity
64.28958	0.3
70.40809	0.3
70.62768	0.4
70.63091	0.6
72.99296	0.5
74.64272	0.3
76.13724	0.3
78.58254	0.3
80.15150	0.3
82.00587	0.7
92.65894	0.3
95.01425	0.5
96.99276	0.4
110.00110	9.6
111.00943	0.4
121.06559	0.5
124.01673	0.9
124.98808	0.7
125.02444	5.1
137.99596	11.6
139.00368	0.5
139.04045	0.4
140.01122	0.8
153.01949	100.0
153.99086	0.5
154.02284	3.4
167.99359	1.8
168.00659	1.8
168.04291	30.8
169.01430	0.4
169.04634	1.2
183.00493	0.8
183.03018	4.2
183.10277	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0664
Annotation	2,3-dimethoxy-5-methylhydroquinone
Peak:m/z	Relative Intensity
63.54141	0.3
64.03368	0.4
68.99845	0.4
69.03092	0.7
69.03458	11.1
69.46544	1.4
69.46951	0.8
78.01132	0.5
85.02956	1.6
85.06564	0.4
87.04522	1.5
92.02267	0.4
95.01407	1.7
95.05037	2.6
96.02166	2.0
98.22514	0.5
106.04258	0.6
111.04518	5.2
111.08194	0.8
113.02466	8.6
113.06098	2.0
121.06618	4.4
124.05275	0.8
139.07663	11.5
140.07954	0.5
167.03474	0.5
183.06628	100.0
184.06970	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	183.139
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
52.50893	0.5
59.01376	2.4
67.01881	0.7
68.99333	5.1
68.99720	0.5
85.02963	7.1
85.06611	1.3
95.05040	7.3
95.12505	0.6
98.22533	1.2
102.02760	0.5
111.00922	1.2
111.04536	9.1
111.08202	1.4
113.02450	0.9
113.06092	1.9
123.00938	0.9
124.01686	0.7
129.81506	0.5
139.07645	0.9
148.54620	0.5
155.07208	2.5
165.01849	0.7
167.99388	3.2
168.00664	1.3
183.00456	1.0
183.03036	1.4
183.06657	13.0
183.13921	100.0
184.07397	0.5
184.14267	5.1
184.21178	0.6
190.18555	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1391
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
53.93773	0.7
61.98824	0.8
67.01888	1.2
69.60425	2.6
75.38055	0.7
75.95889	0.6
79.29310	0.7
84.92059	0.6
95.01392	1.4
111.00904	2.0
111.04531	0.8
112.17303	0.7
121.06586	0.8
121.87981	0.7
123.00871	1.3
124.01642	1.3
126.79665	0.7
137.99623	0.8
139.00391	1.6
139.07660	0.7
153.00696	0.8
164.98332	0.7
166.22195	0.6
167.99390	6.2
168.00642	1.6
169.00191	0.9
170.31354	0.7
183.00450	2.3
183.03015	1.6
183.13910	100.0
184.00978	0.8
184.14270	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	184.0102
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	18.0
70.31081	20.2
76.56967	8.1
83.11877	7.1
84.91766	6.4
87.55554	6.4
140.02043	43.8
142.00015	8.6
162.18159	7.4
181.95471	6.7
184.01025	100.0
187.87128	7.0
189.07857	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	184.0103
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20028	6.7
54.26722	6.7
57.97557	11.3
59.01390	57.0
60.55643	8.4
69.03458	15.9
71.01381	22.3
71.27294	9.7
72.60513	7.7
78.95915	100.0
94.03004	12.1
95.01389	20.8
95.04997	20.4
97.02966	8.5
97.06599	25.0
98.06147	7.5
103.92043	20.8
113.02473	80.3
122.06167	13.0
123.00911	33.1
123.04503	7.2
124.04033	18.3
125.02488	61.3
140.02075	37.3
140.07181	14.5
141.02008	14.7
141.05624	44.0
141.99945	14.7
142.96635	10.1
154.30199	7.5
156.99939	13.2
166.99800	8.8
167.03532	8.8
183.88654	15.8
184.01074	78.7
184.06166	25.0
185.01201	10.1
185.04645	17.0
185.11813	8.5
185.15564	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	184.0252
Annotation	Unknow
Peak:m/z	Relative Intensity
66.63039	0.2
69.46687	0.2
70.30908	0.2
79.78099	0.2
87.49936	0.3
96.56451	0.3
97.71789	0.2
111.00890	8.6
139.00381	25.4
140.00726	0.8
154.19449	0.3
165.68254	0.3
169.00174	100.0
170.00546	3.4
184.02512	19.6
185.02856	0.6
185.11830	0.4
196.75345	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02972	4.1
58.17386	0.3
59.01385	2.0
66.03474	0.6
68.05054	3.5
69.07099	2.5
69.83075	0.3
98.22503	0.8
114.09253	100.0
114.62910	0.3
115.09595	2.3
125.09753	0.4
135.35226	0.3
144.10306	28.6
145.10663	0.9
186.11354	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	187.0099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06313	0.8
56.06058	0.8
58.21434	0.8
59.01385	83.6
60.01728	1.0
61.98834	2.2
68.19650	0.8
71.16416	1.0
71.16750	1.2
84.79858	0.9
99.03010	1.1
115.02537	6.7
117.00459	6.7
143.02032	4.1
144.99959	1.1
159.01509	100.0
160.01657	7.2
187.00955	10.4
188.00879	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.01
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	89.5
60.01712	1.2
61.98835	16.7
66.01783	0.5
69.70566	1.7
70.94495	0.5
90.97157	0.8
94.00880	0.5
99.03038	0.7
100.81139	0.5
115.02524	5.0
117.00458	8.9
125.09737	1.2
127.87038	3.6
140.87144	0.9
141.86835	12.0
142.89398	12.8
143.01973	2.8
144.97464	0.6
144.99957	1.2
159.01508	100.0
159.86047	2.5
159.87888	4.0
160.01636	7.9
186.86665	0.9
186.88382	2.2
186.98433	0.8
187.00999	10.8
187.09727	0.6
188.00578	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.025
Annotation	trans-Homoaconitate
Peak:m/z	Relative Intensity
59.01379	1.4
61.12514	0.8
67.01893	1.9
70.15524	2.6
71.05019	3.0
75.89548	0.7
81.03477	7.0
87.92534	9.4
88.98795	1.3
97.02975	1.0
97.06590	2.5
98.22560	0.9
99.00885	2.3
99.04527	43.6
100.04884	1.2
100.07703	1.0
102.05602	2.8
103.92042	2.8
113.02441	1.8
115.04031	9.1
116.03574	1.7
123.94652	1.3
125.02457	100.0
126.02795	2.8
127.63131	1.0
128.03563	1.3
143.03503	10.0
143.07137	1.3
147.46880	0.8
187.02432	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	187.0251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.2
57.97548	0.8
58.02992	0.9
59.01383	8.3
67.01885	3.2
68.01404	0.8
71.01385	1.1
71.05019	2.7
72.99334	1.0
81.03458	6.7
83.01376	1.0
85.02953	1.8
87.92554	1.9
90.97163	1.0
95.01412	0.7
96.96015	1.9
97.02964	0.9
97.06610	0.8
98.02500	1.6
99.00883	1.7
99.04526	45.3
100.04836	0.7
100.07706	1.1
102.05603	3.4
103.92090	1.0
111.00235	4.0
113.02471	4.3
114.05634	1.0
115.04008	8.4
115.92255	0.6
116.03567	1.4
123.94675	0.7
125.02458	100.0
125.09716	1.6
126.02808	3.0
127.05166	0.8
128.03563	2.9
131.08279	5.0
138.99733	0.8
140.00519	4.5
142.05037	0.6
143.03502	10.9
144.03052	1.8
144.06706	0.8
155.99973	4.1
157.00742	9.3
159.01492	8.6
169.01511	1.1
170.04555	0.8
187.01102	0.6
187.02504	11.8
187.10915	1.7
188.05623	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.025
Annotation	trans-Homoaconitate
Peak:m/z	Relative Intensity
52.36406	0.6
59.01386	6.6
59.47298	0.7
67.01898	1.7
69.05325	0.6
69.31251	1.7
69.31658	2.0
70.61669	0.7
71.05032	1.7
75.76458	0.6
78.95921	0.9
81.03459	6.1
84.11829	0.6
87.92515	0.8
90.97160	2.6
97.06638	1.3
99.00861	0.8
99.04528	42.6
100.04871	1.5
103.92046	0.6
111.00875	0.8
115.04035	8.9
125.02460	100.0
125.06068	1.5
125.09727	2.9
126.02781	3.5
131.08298	1.2
132.98204	1.7
143.03531	8.2
143.07082	0.7
159.01506	3.8
169.05103	1.0
186.95650	1.4
187.02510	8.6
187.06171	0.8
187.09811	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0977
Annotation	Azelaic acid
Peak:m/z	Relative Intensity
53.92323	0.3
54.40440	0.3
55.81723	0.3
57.03448	3.6
69.03452	0.9
69.20455	1.4
69.20855	0.5
71.05022	0.4
73.46672	0.3
78.44349	0.3
83.05016	0.4
95.05045	0.9
97.06599	12.8
98.21799	0.7
123.08180	6.4
124.08527	0.4
125.09734	100.0
126.10064	3.8
143.10802	2.3
157.64494	0.3
169.08682	3.1
187.09772	39.0
188.10081	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1089
Annotation	H-GLN(ISOPROPYL)-OH
Peak:m/z	Relative Intensity
55.02995	2.0
58.01423	1.2
58.02975	4.9
59.01095	2.2
59.01384	44.6
60.99315	2.6
61.98824	1.2
62.74246	1.1
67.01884	3.5
68.03339	1.1
71.05019	1.6
71.27411	1.4
72.00920	5.7
72.04543	2.1
72.99319	1.3
74.02477	15.3
81.03458	3.3
82.02998	8.4
83.10744	1.2
84.04550	26.7
85.02936	1.5
86.02472	6.7
87.29673	1.0
87.92539	21.1
88.98809	11.7
90.97128	9.5
96.96032	3.4
97.06591	1.9
99.00898	3.0
99.04518	22.5
99.05115	1.7
100.07681	8.9
101.07211	3.5
102.05589	1.5
103.92033	9.3
105.93592	3.3
112.07705	1.9
113.00663	1.9
113.07211	5.5
114.09222	1.2
115.02594	1.1
115.04007	5.0
116.03564	1.4
117.00457	3.2
123.94676	6.5
123.95484	1.2
125.01534	2.3
125.02461	44.5
125.06091	2.8
125.09743	3.2
125.51384	1.1
126.09204	2.2
127.05099	2.5
128.03549	32.8
131.08275	46.8
132.98224	6.5
139.08733	3.1
141.10376	6.7
143.03499	5.2
143.07132	2.7
143.11917	14.0
159.01501	39.9
160.01653	2.3
162.95657	2.2
169.09834	41.9
186.95604	6.3
187.01003	4.9
187.02519	6.1
187.06233	2.6
187.10893	100.0
188.11224	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	190.0636
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.5
59.84746	1.4
60.18598	1.6
61.98836	5.0
63.13990	1.3
63.84647	1.5
71.01357	1.6
71.29172	1.9
79.95739	3.0
85.02955	12.3
87.00877	13.0
92.18353	1.7
96.23345	1.5
107.05010	2.4
111.00890	21.6
118.99300	1.8
120.04524	2.9
121.02968	12.2
127.04025	2.0
133.06729	1.7
135.04543	11.2
143.86513	13.7
146.02495	3.6
146.03676	2.4
151.77104	1.7
161.06099	10.2
161.87596	5.5
162.06883	100.0
163.07530	7.1
164.04781	1.9
176.04790	5.4
190.01389	2.0
190.06509	3.2
191.03691	3.8
191.05621	20.2
191.07166	3.1
191.10843	1.9
192.35033	1.8
194.05858	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	190.0636
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.5
59.84746	1.4
60.18598	1.6
61.98836	5.0
63.13990	1.3
63.84647	1.5
71.01357	1.6
71.29172	1.9
79.95739	3.0
85.02955	12.3
87.00877	13.0
92.18353	1.7
96.23345	1.5
107.05010	2.4
111.00890	21.6
118.99300	1.8
120.04524	2.9
121.02968	12.2
127.04025	2.0
133.06729	1.7
135.04543	11.2
143.86513	13.7
146.02495	3.6
146.03676	2.4
151.77104	1.7
161.06099	10.2
161.87596	5.5
162.06883	100.0
163.07530	7.1
164.04781	1.9
176.04790	5.4
190.01389	2.0
190.06509	3.2
191.03691	3.8
191.05621	20.2
191.07166	3.1
191.10843	1.9
192.35033	1.8
194.05858	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0199
Annotation	Citric acid
Peak:m/z	Relative Intensity
55.47823	0.3
57.03454	5.9
59.01369	0.6
59.83521	0.3
67.01892	3.8
69.08448	2.7
85.02959	28.5
86.03288	0.4
87.00883	48.0
88.01208	0.4
101.02422	0.5
103.04015	0.5
111.00891	100.0
112.01245	2.4
117.80405	0.4
129.01961	4.7
130.99875	0.6
142.97220	0.3
154.99899	0.5
173.00923	1.1
191.02005	8.9
191.05595	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	6.3
65.33393	0.5
66.36369	0.5
67.01892	2.9
69.51527	1.4
69.51920	0.9
77.88744	0.5
85.02958	31.4
86.03290	0.6
87.00883	47.4
88.01244	1.0
93.03471	0.9
111.00891	100.0
112.01225	1.7
116.28656	0.5
127.04063	0.7
129.01944	5.8
154.99944	0.9
173.00941	1.4
191.01996	7.0
191.05627	9.9
192.05772	0.7
198.46510	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.02
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82420	0.4
57.03452	6.5
59.01389	2.5
62.21645	0.4
65.62536	0.4
67.01897	3.8
69.03404	0.4
70.94286	0.5
70.94614	0.7
71.01385	0.9
72.99305	0.4
80.42467	0.5
83.05065	0.5
85.02959	39.0
86.03320	0.8
87.00883	47.1
88.01270	0.6
93.03475	3.5
99.04586	0.5
109.02988	1.3
111.00891	100.0
111.04513	0.9
112.01222	2.5
127.04034	1.7
129.01965	5.8
130.99867	0.7
133.06528	0.5
136.68385	0.5
147.03006	0.6
154.99881	0.9
171.02971	0.7
173.00948	1.4
173.04607	1.3
191.02034	10.0
191.05626	54.0
192.06041	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0351
Annotation	1,3,6,8-Naphthalenetetrol
Peak:m/z	Relative Intensity
57.03448	3.4
59.01381	1.2
63.02404	4.2
65.00319	3.0
67.01897	1.6
71.28544	0.5
73.02908	0.4
79.05537	0.8
81.03465	4.6
82.30952	0.4
83.01404	2.0
83.05011	0.4
85.02960	19.9
87.00885	26.4
88.01266	0.5
91.05544	0.4
93.03480	1.8
103.05546	0.5
105.03471	2.8
107.01402	2.6
109.02946	0.5
111.00895	47.2
112.01220	1.1
118.99300	0.5
119.05054	1.9
121.02970	0.8
121.05842	0.4
123.04533	2.3
127.04063	0.8
129.01961	2.8
130.99866	0.6
147.04544	5.5
149.02464	5.0
151.00401	0.4
163.04044	1.3
173.00966	0.8
173.04628	0.6
191.02119	4.6
191.03513	100.0
191.05574	18.4
192.03883	4.0
192.05678	0.6
204.48792	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.035
Annotation	Pisonin F
Peak:m/z	Relative Intensity
56.39968	0.4
57.03461	1.0
59.01388	0.5
61.25171	0.4
61.93853	0.4
67.01878	0.8
85.02961	6.6
87.00879	9.5
93.03465	1.0
111.00885	17.6
112.01257	0.8
118.12446	0.4
119.05029	1.4
121.02964	100.0
122.03291	3.4
129.01987	0.5
136.82428	0.4
147.04532	5.7
163.04039	1.7
169.77484	0.4
182.56042	0.4
191.01942	1.4
191.03528	7.3
191.05623	5.7
191.07141	0.5
191.10741	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48579	0.4
55.68021	0.4
56.21791	0.5
57.03453	4.2
58.78149	0.5
59.01383	4.0
67.01889	3.0
69.54264	2.0
71.01384	2.6
71.64526	0.5
73.02937	1.3
81.03471	1.1
83.05026	1.0
85.02957	41.0
86.03281	1.2
87.00882	33.6
88.01225	0.8
93.03461	7.9
99.04514	0.9
101.02460	0.7
107.94984	0.4
109.02957	1.8
111.00892	63.0
111.04514	2.0
112.01224	1.8
127.04016	4.8
129.01947	4.2
130.99863	0.7
163.11987	0.5
171.03023	1.2
173.00919	0.8
173.04575	2.1
191.02078	7.0
191.05632	100.0
192.05998	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	191.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	4.8
59.01370	4.5
67.01904	3.1
69.03437	0.8
69.37378	2.2
71.01381	2.8
73.02938	1.1
76.72282	0.4
81.03452	1.3
83.05010	0.9
85.02956	43.0
86.03316	1.1
87.00882	27.8
88.01232	0.5
93.03467	8.1
94.03755	0.5
99.04519	1.1
101.02454	0.7
109.02955	2.8
111.00890	44.9
111.04504	2.4
112.01221	1.1
127.04030	5.8
128.60321	0.4
129.01933	2.5
129.02737	0.4
130.08743	0.4
137.02452	0.6
154.99825	0.7
155.03462	0.5
171.02953	1.2
173.00877	0.9
173.04607	2.4
191.02040	4.9
191.05618	100.0
192.05943	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	191.0564
Annotation	Quinic acid
Peak:m/z	Relative Intensity
57.03440	0.6
59.01382	3.4
60.99299	0.3
62.96993	0.2
63.17300	0.2
67.01905	1.1
69.03448	0.7
70.10690	0.6
71.01389	2.3
73.02954	1.1
81.03468	1.1
83.05031	1.0
85.02959	23.5
86.03297	0.6
87.00886	4.3
93.03465	7.9
99.00863	0.3
99.04525	1.1
109.02969	1.8
111.00909	0.4
111.04530	2.2
113.02474	0.3
127.04021	5.4
137.02446	0.4
144.46989	0.2
148.71272	0.2
155.03456	0.5
159.95987	0.2
171.02963	1.2
173.04547	2.2
186.02953	0.2
191.05624	100.0
192.05962	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0562
Annotation	D-(-)-Quinic acid
Peak:m/z	Relative Intensity
57.03455	2.7
59.01383	4.0
67.01891	2.1
69.03460	1.0
70.13092	1.1
71.01395	2.0
73.02949	1.4
79.95748	4.8
80.96523	0.4
81.03457	1.4
81.95311	1.2
83.01363	0.6
83.05040	1.3
85.02959	38.4
86.03281	1.0
87.00883	24.8
88.01214	0.6
93.03468	9.0
95.01374	0.7
99.04541	1.5
107.01408	0.9
108.02140	0.5
109.02969	2.2
111.00894	40.5
111.04528	2.9
112.01230	1.1
118.99302	0.7
119.05042	0.4
121.02985	0.5
127.04037	6.4
129.01984	1.8
130.08084	0.4
131.01373	0.5
135.04501	0.7
147.04521	1.4
149.02441	1.4
150.02820	0.5
155.03525	0.4
163.00388	0.7
171.02995	1.5
173.00877	0.7
173.04567	1.9
175.00371	0.9
176.01141	1.2
190.99896	1.8
191.01965	2.6
191.03712	4.0
191.05624	100.0
192.05949	4.0
211.01996	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0562
Annotation	D-(-)-Quinic acid
Peak:m/z	Relative Intensity
51.42766	0.3
53.94683	0.3
57.03439	1.3
59.01384	3.6
61.62049	0.3
67.01891	1.3
67.26878	0.4
69.03453	0.8
69.40695	0.3
69.50883	1.6
71.01392	2.2
73.02948	0.9
77.96558	0.4
79.34303	0.4
81.03475	1.4
83.05044	1.0
85.02958	27.0
86.03281	0.5
87.00886	8.1
87.51064	0.3
93.03469	8.0
99.04539	1.0
109.02969	1.9
110.91817	0.4
111.00902	7.3
111.04543	2.7
113.02457	0.4
115.14312	0.3
125.02448	0.5
127.04031	5.7
129.01987	0.8
137.02486	0.4
171.03003	1.7
173.04498	2.1
185.79858	0.3
191.05626	100.0
192.06003	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0562
Annotation	D-(-)-Quinic acid
Peak:m/z	Relative Intensity
57.03442	2.8
59.01381	3.4
67.01891	2.7
69.03458	0.8
69.25163	2.5
71.01389	2.7
73.02944	1.5
73.82653	0.4
81.03464	0.9
83.05034	1.3
85.02958	38.8
87.00883	24.0
93.03466	9.2
94.88915	0.5
96.41381	0.4
97.55768	0.5
98.22511	0.6
98.51244	0.4
99.04540	1.3
103.30846	0.4
109.02952	2.2
110.26192	0.5
111.00890	36.7
111.04531	2.3
112.01215	1.3
127.04020	5.9
128.65327	0.4
129.01950	1.3
165.51662	0.5
167.54210	0.5
171.03006	2.0
173.00844	0.5
173.04559	1.7
191.02103	3.7
191.05618	100.0
192.05959	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	191.0716
Annotation	6-Hydroxy-2,2-dimethylchroman-4-one
Peak:m/z	Relative Intensity
54.87614	0.3
57.03450	1.7
58.48508	0.3
59.01369	1.1
63.97626	0.3
64.10997	0.3
65.00317	0.3
67.01878	0.5
69.05829	1.0
69.06252	1.5
73.02901	0.5
78.51845	0.3
83.05030	0.3
85.02955	10.4
87.00882	13.8
93.03477	1.9
95.05034	0.3
99.04527	0.3
101.66831	0.3
103.05548	1.4
105.07122	0.9
106.04254	0.5
107.05015	0.3
108.02258	0.3
109.02934	0.5
111.00892	24.5
111.04555	0.7
112.01241	0.7
113.02437	0.3
118.99324	0.6
119.05019	0.5
121.02938	0.4
121.06624	4.0
122.03744	0.4
127.03998	1.0
129.01939	1.2
130.04254	0.6
131.05031	4.3
134.03761	0.5
135.04454	0.4
147.00876	0.4
147.04553	0.7
147.08160	0.8
148.05316	21.4
149.06099	11.4
150.03198	0.7
150.06364	0.7
161.02510	0.3
163.04012	1.1
163.07652	1.2
171.02989	0.3
173.00870	0.3
173.04620	0.4
173.06065	0.6
174.39243	0.3
176.01140	0.8
176.04784	1.0
179.61795	0.3
189.05508	0.3
190.06346	0.7
191.02005	1.7
191.05618	13.5
191.07144	100.0
192.05927	0.5
192.07503	4.7
207.53531	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0718
Annotation	5-Methylmellein
Peak:m/z	Relative Intensity
55.01882	5.7
57.03455	1.1
59.01388	0.8
65.00340	1.4
65.03963	0.9
66.03307	0.3
67.01889	1.1
69.03455	0.6
69.09167	2.8
75.21093	0.3
77.03981	1.5
79.01903	5.3
79.05532	3.3
80.02679	0.5
81.03470	1.1
85.02467	0.2
85.02957	9.6
87.00879	10.2
91.05549	0.9
93.03475	1.7
95.05040	1.9
97.02950	1.2
105.07110	3.8
106.04269	1.3
107.05036	18.5
108.02178	3.6
108.05428	0.4
109.02954	0.4
111.00888	19.0
111.04527	0.4
117.07142	0.8
118.99354	0.8
119.05049	0.6
119.08675	3.4
121.02975	1.0
121.06615	7.2
122.03761	2.2
123.04548	1.0
123.08161	2.9
127.03990	0.5
129.01956	1.1
129.07098	0.6
130.04240	1.0
131.05038	1.1
132.05844	1.6
134.03766	0.4
135.04535	1.4
135.08112	0.8
136.01668	1.1
145.06598	8.2
147.08170	100.0
148.05309	8.6
148.08484	4.1
149.06096	2.6
154.02780	0.4
161.02411	0.8
161.06093	0.4
162.06902	0.5
163.07660	55.5
164.08020	2.6
171.03038	0.3
173.04625	0.4
173.05949	0.6
175.04056	1.9
176.01234	0.5
176.04799	3.4
189.05663	0.4
191.01952	1.2
191.05614	11.3
191.07144	83.7
191.14455	1.0
192.07518	4.4
196.65961	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0142
Annotation	6,7,8-Trihydroxycoumarin
Peak:m/z	Relative Intensity
67.01880	0.9
73.80405	0.5
75.70264	0.6
77.31659	0.6
78.94226	0.6
79.18800	0.6
81.03442	0.7
93.03457	4.1
105.03504	0.7
109.02240	0.9
109.02964	11.5
119.01411	0.9
121.02969	8.7
126.09456	0.5
133.02974	1.5
134.03749	17.0
137.02460	28.6
139.03955	0.7
146.44998	0.6
147.00877	1.9
149.02454	2.2
149.06067	2.2
153.99129	0.5
165.01941	16.3
175.00333	2.8
178.02724	9.9
179.02229	1.4
193.01427	100.0
193.05019	5.6
193.08601	1.3
193.63161	0.6
194.01785	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.087
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
63.55295	0.6
69.29604	3.8
79.05537	10.3
81.03458	18.2
84.64615	0.7
85.06594	1.2
87.04523	1.4
94.73739	0.6
98.21769	1.4
105.03490	2.1
109.06586	1.2
122.03738	2.0
123.04531	100.0
124.04849	3.7
125.09725	17.7
134.03731	3.2
137.02409	1.1
149.02434	1.8
149.09729	15.5
151.07608	2.1
165.55861	0.6
178.02687	2.2
180.39316	0.6
193.08698	55.2
194.09041	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	193.087
Annotation	Unknow
Peak:m/z	Relative Intensity
60.27096	0.7
61.94531	0.7
69.14783	4.2
73.17458	0.6
74.78916	0.7
77.63015	0.7
79.05534	9.8
81.03453	4.1
85.06615	1.0
87.04527	1.0
97.58955	0.6
98.21834	1.3
99.59995	0.7
105.03465	12.7
105.04124	1.0
109.06553	0.6
111.00893	1.3
121.02958	3.8
121.06591	0.9
122.03738	9.7
123.04533	54.7
124.04823	1.0
125.09731	1.8
133.02980	0.9
134.03749	10.5
137.02429	1.8
147.08208	0.8
149.02457	13.5
149.06110	4.2
149.09734	21.3
150.03220	3.1
150.10048	1.1
151.07651	1.5
163.04105	0.6
165.01935	2.8
167.03528	1.0
171.62712	0.7
177.01938	1.2
178.02731	10.9
178.06293	0.8
193.01392	1.6
193.05122	3.7
193.08704	100.0
194.09048	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	193.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.3
65.00340	0.6
70.85001	0.7
70.85321	0.6
85.00468	0.9
86.47560	0.5
91.27287	0.5
93.03455	0.9
106.04263	0.6
108.02203	2.1
121.02966	3.3
132.65993	0.6
133.02931	1.3
134.03755	23.0
135.04208	0.6
136.01665	3.2
137.02449	6.4
139.04015	1.8
149.02469	1.6
149.06123	3.8
149.09654	0.6
150.03217	0.6
150.94791	1.9
165.01865	0.6
165.09241	1.2
177.05562	3.0
178.02716	16.0
178.06323	0.5
179.02179	4.0
192.95900	0.9
193.01411	1.5
193.05096	5.1
193.08705	100.0
194.04599	1.0
194.09120	5.2
195.02994	0.9
210.05377	1.7
212.44345	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40945	0.6
56.43283	0.4
59.01373	2.1
59.94795	0.6
60.68743	0.5
63.02417	0.6
68.99089	5.2
73.55402	0.4
79.01906	0.7
79.05539	17.4
81.03462	3.4
83.01411	0.6
85.02946	0.7
85.06581	2.3
87.04519	4.1
91.01907	3.9
91.05554	0.5
93.03447	0.5
105.03480	2.3
107.08672	5.5
109.06613	3.0
117.07542	0.6
121.02979	2.0
122.03746	1.4
123.04542	24.2
124.04871	0.6
125.09715	2.0
133.02870	0.6
133.06621	3.2
134.03760	5.3
134.07310	0.5
137.02449	1.6
147.08127	0.9
149.02446	1.7
149.06093	2.2
149.09738	35.0
150.03255	0.8
150.10069	1.5
151.07666	20.6
152.07910	0.9
165.01953	1.2
175.07695	0.7
177.05597	6.4
178.02696	5.1
183.02620	0.5
191.07176	0.7
193.04977	2.5
193.08716	100.0
194.09081	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	193.1234
Annotation	Clavularin A
Peak:m/z	Relative Intensity
51.21943	0.3
55.01880	4.2
56.00901	0.3
57.03455	0.7
67.01906	0.5
69.17940	2.1
69.18624	0.3
71.93275	0.3
79.01897	4.3
80.02688	0.8
81.03468	1.0
83.05048	0.8
85.02983	0.5
85.06590	1.4
87.04523	16.4
95.05058	1.3
97.06622	0.4
105.07092	0.5
106.04276	0.3
107.05038	3.6
111.04534	1.0
111.08181	0.7
113.09737	0.4
121.02980	0.9
121.06596	3.0
123.08176	70.6
124.08475	2.5
134.03760	6.2
135.04503	1.4
135.08192	0.4
137.02464	1.4
137.09735	0.5
139.04033	0.4
139.84235	0.3
149.02490	0.4
149.06099	3.7
149.09706	0.5
150.06848	1.5
151.11284	1.2
175.11264	0.6
177.09224	1.8
178.02716	4.4
178.09938	0.9
179.02338	1.1
193.01466	0.6
193.05106	3.5
193.12346	100.0
194.04630	0.5
194.08194	0.5
194.12692	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	195.03
Annotation	1,6,8-trihydroxy-1H,3H-cyclohepta[c]furan-5-one
Peak:m/z	Relative Intensity
55.05202	0.4
56.10830	0.3
59.01372	0.7
69.03456	0.4
69.50246	0.7
69.50635	1.0
71.14754	0.3
78.95895	0.3
93.14452	0.3
95.01401	1.4
95.34557	0.3
97.02971	0.4
101.11505	0.4
105.66708	0.4
107.05066	0.7
108.02189	6.3
109.02971	0.6
111.65985	0.3
121.02957	0.9
122.03745	0.4
123.00883	1.0
123.04536	0.6
124.01735	0.4
125.02486	0.7
134.06067	0.3
135.04573	0.6
136.01674	100.0
137.02278	3.0
149.02444	0.3
150.03218	1.4
151.00381	1.1
151.04022	9.7
151.07759	0.5
152.04405	0.4
152.91742	2.0
164.78160	0.3
164.83971	0.4
165.01952	4.1
165.05576	1.2
167.03493	0.5
167.11353	0.3
167.90570	0.7
169.15317	0.4
179.10918	0.3
180.00673	6.1
180.02220	0.6
180.02846	0.5
180.04274	3.0
180.07848	0.4
181.00095	0.7
194.92822	0.9
194.99377	0.6
195.03008	19.0
195.06642	2.0
195.13889	0.8
196.03403	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0663
Annotation	Methyl everninate
Peak:m/z	Relative Intensity
57.03443	0.9
58.00586	0.8
59.01385	3.2
64.73381	0.4
67.01886	2.3
71.01382	2.8
71.27732	0.7
72.99302	1.6
75.00877	5.1
78.95907	10.7
83.01391	0.6
85.02956	0.8
87.00887	9.6
89.02453	2.0
93.03478	1.3
95.01394	0.5
96.96021	0.8
96.96973	0.9
99.00905	0.6
105.01937	11.5
107.05039	2.5
108.02200	0.7
109.02953	4.7
109.54759	0.4
110.93521	0.4
111.00885	0.9
111.04562	0.5
121.02988	2.6
122.03726	0.7
123.04529	1.0
125.02534	0.4
129.01944	4.5
134.54648	0.4
136.01691	0.5
137.02455	39.4
138.02811	0.8
138.05661	0.4
141.01881	0.4
147.03006	5.0
149.02412	0.4
150.03218	1.3
150.94867	0.4
151.04015	3.1
152.91769	10.7
152.92934	0.8
152.94536	1.5
153.00444	1.0
165.01941	100.0
166.02309	4.0
167.03537	0.7
167.90501	4.5
177.04012	2.9
180.04291	38.8
181.00298	0.8
181.04556	1.0
194.92647	3.9
194.95560	0.8
195.01462	0.8
195.03041	1.9
195.05070	6.3
195.06673	6.6
195.08376	0.8
195.13911	0.5
212.93941	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0663
Annotation	3,5-dimethylorsellinic acid
Peak:m/z	Relative Intensity
54.34539	0.5
57.03453	0.9
57.07552	0.4
59.01376	1.6
63.02395	0.7
65.00327	3.8
69.46696	1.1
69.47113	1.7
80.02704	0.5
81.03461	19.1
82.03802	1.0
83.01401	3.7
85.06594	4.0
87.04514	2.7
94.59211	0.5
98.22517	0.9
107.01392	2.6
107.05060	0.9
109.06596	10.1
111.04528	18.6
123.08168	0.5
124.01637	0.7
125.02454	6.3
127.07646	2.0
128.17712	0.4
133.06613	4.7
135.04485	0.7
136.05325	3.6
142.48607	0.5
151.00394	4.1
151.07655	70.1
152.01120	0.6
152.07945	2.4
153.05530	0.8
165.05580	0.5
177.05542	3.9
180.04292	0.5
181.90288	0.4
195.06631	100.0
196.06972	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	195.0664
Annotation	Decarestrictin F
Peak:m/z	Relative Intensity
55.01658	0.6
55.01883	5.0
58.44632	0.7
59.01383	0.9
69.15437	4.8
74.45365	0.7
79.01898	25.8
81.03465	2.1
95.01385	1.6
95.05028	1.0
96.02184	0.8
97.02953	1.5
105.07066	1.4
107.05048	0.9
111.00877	1.3
111.04532	19.0
112.04883	0.9
121.06614	1.2
123.00851	1.4
123.07281	1.3
123.08168	18.5
124.01683	8.7
125.02460	25.8
126.02847	0.7
136.01660	1.7
149.06030	1.5
151.00398	12.3
151.04004	2.1
151.07654	3.0
152.01120	1.3
152.04784	9.8
156.00670	0.8
159.04521	0.9
167.07239	0.9
177.05589	39.6
178.05980	1.3
180.04305	9.6
184.03790	6.9
191.08913	0.6
195.06644	100.0
196.06973	4.7
205.28764	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0663
Annotation	ACETOSYRINGONE
Peak:m/z	Relative Intensity
51.28027	0.6
55.01882	1.5
58.23834	0.6
58.89804	0.7
59.01373	0.7
65.00334	0.8
65.90295	0.7
71.28330	1.0
73.39632	0.6
79.01914	1.2
81.03475	1.6
81.09518	0.6
83.01402	1.3
83.51234	0.7
87.00899	0.9
97.02986	0.6
97.06622	0.9
109.02985	1.8
109.06615	0.9
111.04545	3.0
111.08219	0.7
117.99780	0.8
119.05042	1.5
120.17865	0.7
123.00880	0.6
123.08161	0.8
124.01691	1.2
125.02422	1.5
125.06072	3.5
135.04504	1.6
137.02463	2.3
138.03249	5.1
150.03256	0.9
151.00385	1.4
151.04056	5.5
151.07643	6.8
152.04819	3.4
152.91763	0.9
153.05609	8.2
157.92668	0.6
160.84329	0.8
163.04016	0.9
163.90077	0.6
164.01218	0.7
165.01941	2.6
165.05652	0.9
175.34180	0.6
177.05630	0.9
179.03514	18.8
180.04292	100.0
181.00186	0.7
181.04659	5.1
195.02963	2.2
195.06633	90.0
195.10269	29.0
195.13876	9.1
196.06973	4.4
196.10657	1.3
209.40323	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0664
Annotation	2,3-Dihydroxy-p-cumate
Peak:m/z	Relative Intensity
50.60485	0.7
53.59340	0.8
59.01374	2.4
61.98827	1.8
65.00303	1.2
69.15020	3.8
69.15434	1.7
72.34704	0.7
75.11719	0.7
78.95905	1.5
81.03464	16.7
83.01399	1.5
85.06590	3.0
87.04510	3.3
95.01437	1.0
96.96000	0.9
98.22582	1.5
102.62624	0.8
105.23365	0.7
107.01396	1.8
107.05040	1.4
109.06598	10.1
111.04529	14.1
117.14755	0.7
121.02985	0.9
124.01656	0.8
125.01698	0.7
125.02465	5.9
127.07684	1.5
128.86478	0.8
133.06596	1.8
136.05307	2.6
150.03229	3.0
151.00386	2.5
151.07658	79.0
152.08005	3.1
152.91772	6.0
153.05469	1.1
160.84218	3.4
165.01979	1.0
165.05516	1.7
166.90820	1.0
167.90471	1.5
176.89551	1.7
177.05598	2.1
180.02754	1.1
180.04321	2.4
181.00192	2.0
194.90579	3.1
194.92870	2.3
195.06638	100.0
195.81152	1.0
196.02553	0.8
196.07027	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	195.0661
Annotation	2',6'-Dimethoxy-4'-hydroxyacetophenone
Peak:m/z	Relative Intensity
55.01875	3.2
59.01371	0.8
65.00313	1.1
67.01885	0.5
68.14544	0.4
68.99804	1.3
69.03445	1.3
71.01355	0.5
71.27936	0.5
76.57256	0.4
76.70057	0.4
79.01901	6.6
81.03446	2.5
83.01392	3.0
83.05010	0.4
87.04506	0.6
95.01385	1.2
95.05029	1.3
97.02951	1.4
97.06586	1.7
105.07105	0.5
107.01386	0.9
107.05009	1.1
109.02962	1.0
109.06548	2.1
111.00855	1.6
111.04530	20.2
111.08165	3.1
112.04819	0.5
113.49837	0.4
121.06568	1.0
122.03741	1.3
123.00867	1.7
123.04532	0.6
123.08165	8.3
124.01676	4.7
125.02454	16.4
125.06093	16.1
136.01654	0.6
136.05302	0.8
136.98831	0.9
137.02415	0.6
137.06020	1.1
138.03226	1.8
139.04031	0.9
139.07678	2.6
140.04771	0.7
149.06039	0.7
150.03192	0.5
151.00380	5.0
151.03998	1.4
151.07663	9.0
152.01059	0.8
152.04834	2.5
152.08051	0.7
152.91769	1.4
153.05583	23.0
156.00577	0.5
160.84160	2.0
165.02017	0.8
165.05566	0.8
167.07188	3.1
177.05580	18.3
178.05847	0.7
180.04294	5.2
180.07945	0.6
181.00082	0.9
181.05074	45.9
184.03770	3.2
185.20676	0.4
194.92880	0.7
195.06635	100.0
195.10263	75.8
195.81114	0.8
196.07280	9.4
196.10483	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	195.0665
Annotation	3,5-dimethylorsellinic acid
Peak:m/z	Relative Intensity
55.01880	1.8
57.03450	1.0
57.04243	0.5
69.05816	4.4
71.05013	4.2
71.45378	0.5
73.02946	1.2
77.03963	0.7
79.01906	6.3
81.03457	1.8
81.23685	0.6
83.01366	0.5
86.36679	0.6
93.03445	1.2
95.05035	16.3
97.02956	10.4
97.16246	0.5
97.57027	0.6
103.53091	0.5
107.05038	1.6
109.06597	10.5
111.00966	0.5
111.04530	2.0
113.14622	0.6
121.02980	2.8
122.03761	1.0
123.08170	1.6
125.02472	2.9
133.06595	1.3
135.04555	0.9
136.05330	3.0
137.40172	0.5
139.04030	17.5
140.04445	0.7
149.06062	1.3
151.00368	1.1
151.07658	68.6
152.04735	0.7
152.08031	3.5
162.26570	0.7
165.01901	3.6
166.02663	0.7
177.05540	5.8
180.04256	1.2
195.06635	100.0
196.06982	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	195.0664
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
54.49820	1.0
56.86142	1.1
57.19511	1.2
66.03461	1.7
84.03729	0.9
88.00159	1.1
93.03460	3.4
96.10229	1.0
109.02966	1.1
116.12425	0.9
121.02967	4.3
122.03749	16.2
123.00874	1.8
123.04536	1.6
135.00955	1.1
137.02466	2.2
149.02458	22.7
150.03242	100.0
151.03662	4.3
152.91805	6.1
164.04826	3.7
165.01985	6.4
165.05583	80.0
166.05908	2.9
176.89503	1.9
180.02850	2.0
180.04333	12.3
181.00148	2.5
194.90649	2.5
194.92853	2.9
194.95428	1.4
194.99298	1.1
195.02933	1.4
195.04976	1.4
195.06540	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	195.1028
Annotation	Phenol A
Peak:m/z	Relative Intensity
50.40681	0.3
54.49572	0.3
55.01876	0.5
65.00307	0.5
66.10090	0.2
69.47408	1.1
71.04987	0.3
86.86937	0.3
89.73428	0.2
93.41277	0.2
97.06609	0.3
109.06597	0.3
111.04520	0.8
123.08146	0.4
125.02464	2.4
125.06094	11.8
126.06461	0.3
127.64956	0.3
137.02397	0.3
140.04831	1.0
151.00401	0.5
151.04045	0.4
151.07663	1.2
152.01155	0.3
152.91769	0.4
153.05591	0.6
160.84180	0.8
162.05290	0.3
165.01935	0.4
165.05624	0.6
167.90512	0.3
177.05623	1.3
180.04301	1.0
180.07936	0.7
181.00084	0.4
194.90622	0.5
195.06653	7.2
195.10268	100.0
195.81078	0.4
196.10608	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	195.1391
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
51.27537	0.3
60.43851	0.3
61.26024	0.3
67.27999	0.3
69.70026	1.3
98.21824	0.5
108.02199	0.3
109.06578	4.2
111.08172	4.1
122.03761	0.6
125.06046	0.3
125.09691	0.8
135.11801	0.4
138.06866	0.8
139.07719	0.4
151.11299	0.8
160.84225	0.5
165.12807	0.4
165.35683	0.3
167.14420	7.6
172.73146	0.3
179.10789	5.3
180.11484	0.6
183.13841	0.3
188.93338	0.3
195.06805	1.4
195.13908	100.0
195.81108	0.4
196.02470	0.3
196.14259	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	196.0742
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08323	0.4
55.01880	0.5
59.92054	0.4
61.81519	0.4
61.98827	1.6
67.01884	1.4
69.03452	3.1
71.01369	0.5
79.01072	0.5
79.01902	0.4
81.03458	0.7
83.01387	2.1
83.05023	0.5
85.02967	0.5
85.12507	0.4
95.01394	13.4
95.05048	1.2
97.02953	11.0
98.22609	0.9
103.80486	0.4
107.05025	2.2
109.02972	1.6
111.04523	0.5
121.02974	2.7
122.03748	1.3
123.00892	13.3
123.04530	6.7
124.01689	0.5
125.02429	1.8
135.00899	0.9
135.04567	0.6
136.84566	0.4
137.02443	3.4
138.02173	0.6
138.03224	3.9
150.03215	1.3
151.02888	0.9
151.04028	11.2
152.04594	0.5
153.01955	1.8
153.05580	20.1
154.05922	0.6
160.84171	0.9
166.99872	10.3
181.00290	2.3
181.05080	100.0
182.00600	1.1
182.02222	21.6
182.05452	3.9
184.51529	0.5
185.11145	0.4
196.02562	0.8
196.07413	5.7
196.09769	1.2
197.04625	4.4
197.06241	0.8
197.11833	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0455
Annotation	Methyl-4-O-methylgallate
Peak:m/z	Relative Intensity
54.81349	0.4
57.83004	0.5
63.02394	0.6
65.00324	1.8
68.87753	0.6
70.94099	0.5
72.76418	0.5
79.95742	45.7
80.96526	1.3
83.01397	1.1
89.00349	1.5
91.01878	0.8
92.70015	0.5
95.01398	19.6
97.02961	1.0
98.22593	1.4
106.00629	1.9
107.01385	0.6
109.02967	1.3
111.00876	0.8
121.02966	12.8
121.03771	1.0
123.00893	67.7
124.01624	1.7
137.02452	6.2
138.03244	24.8
139.00374	4.5
139.04030	3.8
148.01671	0.8
149.02443	1.3
150.03212	3.0
151.00377	2.8
151.04053	0.9
152.03735	0.9
153.01912	0.8
153.05586	13.2
153.09233	0.8
154.02696	0.7
165.01938	12.0
166.99870	48.6
167.99382	2.1
170.02205	0.7
178.99861	3.1
181.01431	1.9
182.02226	100.0
183.01755	2.2
183.02742	1.5
193.01422	4.4
197.04559	22.1
197.08267	2.8
198.00812	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.082
Annotation	Decarestrictin H
Peak:m/z	Relative Intensity
57.03455	3.4
65.00303	0.7
83.01398	7.2
83.05036	1.2
85.02954	44.7
85.06591	9.6
86.03271	0.8
88.19314	0.7
95.01388	6.5
96.96041	0.7
108.02201	1.3
109.02960	12.1
109.06609	1.2
111.00876	1.7
111.04537	8.3
111.08171	0.8
113.02471	0.9
113.06099	15.0
114.06483	0.6
116.92855	1.0
121.02963	3.4
123.00896	22.8
123.04537	1.1
125.02499	1.2
125.06077	2.4
125.93586	1.0
126.90560	0.7
127.04028	1.7
127.07677	4.8
133.25816	0.6
137.02457	2.6
137.06085	1.1
138.03226	5.9
139.03983	1.7
153.01968	1.0
153.05589	3.3
153.09207	1.7
153.12938	0.9
155.03506	1.3
155.07150	52.4
156.07478	1.8
160.84200	2.0
161.00621	0.6
161.06152	0.8
162.83879	4.6
164.32834	0.6
166.99875	18.5
167.03513	2.2
167.99384	9.9
169.12314	2.5
179.07155	32.6
180.07458	1.5
182.02229	36.1
182.05701	2.4
183.01668	10.6
184.32271	0.6
197.04558	11.8
197.08199	100.0
197.11832	11.0
197.80832	1.9
198.04123	2.5
198.08566	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	197.0819
Annotation	Suspenolic acid
Peak:m/z	Relative Intensity
52.20492	0.6
57.03442	1.2
58.79729	0.5
59.01361	0.9
69.61358	2.1
71.01344	0.7
71.41377	0.5
74.45795	0.5
78.95895	0.5
79.95718	0.9
83.01398	1.2
83.04996	0.6
85.02956	0.9
89.00350	0.6
89.86522	0.6
91.41895	0.5
93.03475	0.6
95.01395	10.5
97.02946	0.6
97.06613	0.9
98.73367	0.6
108.02185	1.6
109.02943	2.4
109.06588	1.1
111.00874	0.8
111.04519	1.4
121.02966	18.5
122.03759	35.7
123.00895	33.5
123.03957	0.9
123.08144	0.6
124.01697	5.0
125.02489	4.3
125.05996	0.6
126.21444	0.6
135.04482	0.7
135.08228	0.7
136.01689	7.3
137.02458	11.8
138.03239	8.5
139.99878	0.6
141.05586	2.3
151.03995	0.8
153.01915	1.6
153.05595	6.1
153.09242	1.5
154.02733	10.4
166.99869	24.0
167.99307	5.5
179.03462	1.2
179.07106	3.6
181.01398	1.0
182.02255	46.5
182.05844	100.0
183.01550	4.7
183.06200	4.6
196.89500	1.1
197.04552	11.5
197.08206	42.1
198.04131	1.3
198.08478	1.3
212.17886	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0821
Annotation	Curvulide A
Peak:m/z	Relative Intensity
51.02354	0.2
52.07217	0.2
53.48571	0.2
59.01343	0.2
61.67849	0.2
68.99802	0.5
69.03460	9.8
69.46684	0.5
69.47089	1.1
71.42933	0.2
73.32655	0.2
78.01122	0.3
79.95751	0.3
83.05025	1.7
85.02951	2.5
95.01402	2.1
96.02181	1.0
97.02921	0.2
101.06097	1.1
106.00539	0.2
109.02957	0.3
109.06600	2.3
111.04562	0.3
111.08234	0.2
113.02460	8.6
120.05815	0.4
121.02983	1.8
123.00887	4.7
125.02477	0.3
125.06094	5.2
125.09806	0.4
127.07651	1.6
135.07220	0.4
135.08174	5.0
137.02420	0.3
137.06061	0.3
138.03235	1.4
138.06857	0.3
151.04082	0.3
153.05620	1.2
153.09232	9.0
154.02795	0.6
154.09488	0.2
155.03471	0.4
166.99883	3.9
167.03513	0.3
167.99355	1.1
179.03549	0.8
181.05101	0.3
182.02237	8.2
182.05833	0.6
183.01758	0.8
186.01717	0.9
197.04497	2.7
197.08202	100.0
198.08525	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	197.0821
Annotation	Ethylene dimethacrylate
Peak:m/z	Relative Intensity
57.03455	19.8
59.01373	4.1
60.81765	1.0
61.24617	1.1
66.71521	1.1
69.03456	1.4
71.28642	1.5
83.01394	8.4
85.02958	76.7
85.06596	42.0
87.04517	2.5
94.03058	1.1
94.47153	1.1
95.01389	5.3
95.05025	1.3
97.15891	1.1
109.02943	3.2
109.06557	2.8
111.00182	2.1
111.00895	28.8
111.04531	9.9
113.06092	17.6
121.02957	3.2
123.00890	22.5
124.01313	1.6
125.06050	1.3
125.09717	3.1
127.04031	19.1
127.07668	100.0
128.07979	3.1
137.02458	2.6
137.06078	3.2
138.03261	7.1
139.04027	26.0
153.05585	5.9
153.09241	4.1
155.07149	49.5
156.07500	1.3
166.99866	17.8
167.99367	4.7
169.08699	2.2
179.07137	12.9
182.02216	32.0
182.05864	5.2
183.01718	7.8
195.04544	1.2
197.04587	12.4
197.06413	1.8
197.08192	42.8
197.11867	4.9
198.08546	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	199.0977
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
54.79733	0.5
64.13918	0.5
67.28361	0.5
71.29021	0.6
73.02953	3.1
85.02963	0.8
86.52899	0.4
90.46826	0.5
98.67269	0.5
127.93154	1.1
135.08192	1.4
137.09724	9.5
138.16331	0.5
154.95500	1.4
155.10794	100.0
156.11093	3.5
175.77583	0.5
181.08672	0.8
196.47852	0.5
199.09761	5.8
199.13396	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67908	0.8
59.01376	0.7
67.01891	0.7
69.28430	5.0
73.02942	2.8
77.25470	0.6
84.66096	0.7
99.00896	0.9
114.91590	0.7
122.86419	0.7
127.93159	2.0
135.08170	1.3
137.09731	8.5
154.95512	1.6
155.10796	100.0
156.11133	3.2
161.08853	0.7
181.17958	0.9
199.09734	6.4
199.13440	1.9
199.17044	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0256
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43099	0.4
59.01382	100.0
59.78966	0.4
60.01730	0.9
69.24766	0.4
70.31456	0.9
94.20016	0.3
95.51695	0.3
113.04688	0.4
123.29288	0.4
157.03575	6.0
158.03719	0.4
159.01514	2.0
174.31912	0.4
180.51724	0.3
187.02722	0.3
201.02570	9.7
202.02786	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0256
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92314	0.3
57.03452	0.4
59.01381	100.0
60.01694	0.6
69.79475	0.3
71.01386	1.0
71.27327	0.6
72.99274	0.7
81.03472	0.5
83.05090	0.4
85.02914	0.4
94.58289	0.3
95.05065	0.5
97.02927	0.4
100.04028	2.2
101.02511	0.4
103.92042	4.3
114.98945	0.5
122.32471	0.4
126.98817	0.3
133.78873	0.4
139.03995	0.6
146.97525	1.3
157.03592	4.5
159.01500	3.4
183.34918	0.4
201.02544	9.4
202.02576	0.5
202.07288	1.4
215.19171	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62198	0.3
59.01381	100.0
60.01716	1.0
66.60220	0.3
70.49751	0.7
70.50078	0.5
128.47745	0.3
157.03578	6.0
158.03798	0.4
159.01503	1.9
185.34366	0.3
201.02557	9.8
202.02750	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0558
Annotation	2-Napthyloxyacetic acid
Peak:m/z	Relative Intensity
57.03449	0.8
59.01381	9.6
67.10133	0.7
69.05939	4.9
79.24477	0.8
83.41758	0.7
87.04507	2.4
98.22524	1.9
99.08121	0.7
113.80148	0.7
115.05514	3.3
117.03445	0.8
117.07187	0.7
127.05567	0.8
129.07094	0.9
130.04298	4.0
131.04997	2.7
139.07704	1.0
144.04588	1.4
145.02971	1.5
145.06580	7.2
155.05008	4.7
156.05817	1.5
157.06592	4.5
157.08707	0.9
158.03746	22.4
159.04529	34.2
160.05125	2.8
161.02475	1.0
171.04533	3.8
172.05310	12.2
173.02422	1.5
173.06081	35.7
173.07571	1.8
174.06403	1.4
182.03737	11.9
183.04518	49.1
184.04964	3.1
186.03241	2.3
187.03970	1.2
199.03978	5.1
200.04791	4.6
201.02461	2.4
201.05577	100.0
201.11339	2.2
202.06126	5.6
204.04243	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82124	0.8
57.03455	4.0
59.01097	1.0
59.01383	17.3
61.68125	0.6
69.61524	1.3
69.61906	1.6
78.91897	1.0
83.05014	0.9
95.05009	1.3
97.06593	14.1
99.92580	2.3
103.82817	0.8
107.32281	0.7
116.92844	1.1
123.08183	8.1
125.09731	100.0
126.10065	3.2
133.49155	0.6
134.68732	0.7
138.29095	0.8
141.93442	3.2
159.01526	0.8
165.71013	0.8
169.08728	2.4
186.12173	0.8
187.09750	1.0
189.98163	0.7
201.02588	1.7
201.05518	1.0
201.11292	6.6
201.14989	0.8
205.61285	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1134
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
55.65076	0.6
57.03454	8.4
59.01384	16.7
69.03456	0.6
69.13265	3.6
71.05020	1.2
79.63451	0.6
99.92614	2.3
104.01997	0.5
111.08178	6.3
119.05026	2.8
119.30003	0.6
124.68172	0.6
137.09753	2.4
139.11304	100.0
140.11661	2.6
141.93297	2.2
157.12366	1.7
183.10269	41.9
184.10614	2.0
194.14835	0.7
201.02065	2.6
201.05588	1.6
201.11333	77.9
202.11662	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	201.1498
Annotation	11-Hydroxyundecanoic acid
Peak:m/z	Relative Intensity
52.84032	0.3
55.55445	0.3
59.01387	3.5
69.65171	0.7
69.65559	0.9
85.67528	0.3
87.69409	0.3
99.92593	1.4
102.66804	0.3
108.47723	0.3
123.71069	0.4
141.93105	0.7
155.14426	6.2
173.06065	0.4
183.13896	2.4
199.13374	0.9
201.05685	0.8
201.14972	100.0
202.15311	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	203.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64454	1.2
59.01379	13.7
69.03455	6.2
70.79913	1.4
71.01389	17.8
85.02970	1.6
85.89558	1.4
87.00893	1.3
87.96420	1.2
95.05023	16.9
97.02956	2.5
97.06595	25.7
111.82030	1.4
112.62023	1.3
113.02457	54.8
115.07653	32.8
125.02448	39.1
125.03337	2.2
141.05588	100.0
142.05946	3.7
152.12581	1.2
159.06670	8.1
167.03485	1.7
185.04553	92.7
186.04938	3.7
203.05615	31.6
204.08844	3.6
224.89667	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40718	1.0
59.01379	21.1
69.03461	3.2
69.41179	3.9
69.41579	2.8
70.44659	1.1
71.01390	15.3
95.05035	15.8
97.06593	26.6
113.02454	54.9
115.07660	39.4
116.05061	2.9
116.08027	1.7
125.02461	39.6
138.91115	1.3
141.05588	100.0
142.05936	3.1
159.06625	6.8
160.04068	16.5
160.97635	2.0
167.03513	1.6
173.48332	1.2
174.99275	5.3
185.04558	85.1
186.04890	3.9
202.98785	1.9
203.05606	31.7
204.05974	1.9
205.93510	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0716
Annotation	3-Butylidene-7-hydroxyphthalide
Peak:m/z	Relative Intensity
50.52168	1.0
55.01862	1.3
55.10254	1.0
57.03445	2.2
59.01380	12.9
65.03959	1.6
69.03455	1.3
70.11662	2.7
81.03457	5.4
85.71873	1.1
90.48850	1.0
90.97128	1.3
91.05560	1.8
97.02966	1.4
100.92584	1.4
103.92023	1.3
105.07095	5.9
107.05041	14.2
109.29314	1.2
117.03471	2.1
118.96609	1.3
119.05040	1.5
120.34129	1.2
129.07120	1.3
131.05009	2.0
131.08641	2.3
132.05836	1.5
133.06609	45.6
141.07207	1.1
143.05023	3.0
145.02963	9.3
146.03799	5.7
147.08163	11.8
157.06577	7.4
159.04494	4.1
159.08174	29.5
160.05309	7.5
160.97713	5.1
161.06088	14.9
162.03258	1.7
174.06886	3.9
174.99225	8.6
175.07654	100.0
176.07967	3.7
185.06105	14.4
188.04823	10.3
201.05568	1.7
202.98701	3.9
203.07150	63.8
204.07489	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	203.0716
Annotation	3-Butylidene-7-hydroxyphthalide
Peak:m/z	Relative Intensity
55.01872	1.9
57.03442	2.2
59.01382	9.5
65.03969	1.4
69.03455	1.0
76.10777	0.7
79.05541	0.7
80.98154	0.8
81.03454	4.7
83.01373	0.7
86.44053	0.7
90.74121	0.7
91.05566	1.1
93.03439	0.7
95.05025	1.3
97.02937	0.9
98.22527	1.7
100.92631	1.0
105.07117	5.4
107.05034	15.6
115.05514	0.9
117.03492	1.9
118.04276	0.8
119.05048	1.2
130.04289	1.2
131.05046	2.7
131.08656	1.7
132.05846	0.9
132.98181	1.3
133.06607	44.2
134.06915	1.4
142.93742	0.9
143.05042	2.5
143.92734	0.9
145.02954	9.4
146.03764	6.0
147.04552	1.2
147.08174	10.1
157.06601	7.6
159.04497	4.5
159.08160	28.1
160.05290	7.2
160.08492	0.9
160.97726	2.6
161.06090	16.4
162.03233	1.0
162.06761	1.3
173.06085	2.9
174.06847	2.5
174.99254	7.5
175.07651	100.0
176.07970	4.8
183.04547	0.9
185.06078	12.5
186.06563	0.7
187.04060	1.3
188.04799	10.5
201.05548	0.9
202.98737	2.4
203.07150	52.3
203.10742	2.8
204.07463	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	203.0828
Annotation	Tryptophan
Peak:m/z	Relative Intensity
51.70263	0.7
59.01372	2.7
72.00912	22.7
74.02056	1.8
74.02477	35.0
76.48122	0.8
77.84989	0.9
90.84961	0.9
93.99969	0.9
116.05070	100.0
117.05402	3.7
123.75118	0.8
130.06633	2.4
142.06631	30.5
157.07692	1.3
158.50174	0.9
159.09279	15.2
174.99228	1.6
185.04489	0.8
186.05632	3.6
203.08272	49.7
204.08580	1.5
219.65717	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27299	0.7
55.01876	0.9
57.03439	3.0
59.01381	5.4
67.01892	3.6
68.99814	0.9
70.70551	1.7
71.01365	3.7
71.05025	15.2
72.76717	0.8
72.99310	6.1
73.02944	4.9
75.00875	2.7
77.38363	0.9
78.37851	0.8
81.03466	8.7
83.01392	2.2
85.02933	1.6
87.00882	34.3
97.02943	1.3
99.00885	5.7
99.04527	25.7
101.02449	27.4
101.03117	1.4
111.00891	40.2
112.98833	1.1
115.00369	3.9
115.04008	9.2
117.01974	1.9
125.02458	100.0
126.02789	2.8
127.00434	0.9
129.01955	1.2
132.08231	1.0
138.19128	0.8
142.99849	1.2
143.03508	13.2
143.07130	1.3
145.01451	24.3
154.99825	1.4
187.02495	14.1
187.06056	1.5
205.03549	23.2
205.07146	1.3
205.08986	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.9
59.01373	0.9
67.01894	7.0
71.01377	0.6
72.99309	3.2
73.02946	4.5
81.03460	0.8
85.02937	1.0
87.00883	43.8
97.06625	0.5
99.00874	0.9
99.04535	2.8
101.02462	0.6
111.00892	100.0
112.01235	2.6
115.04013	2.0
125.02454	1.8
130.99855	0.5
143.03500	10.0
143.07158	1.2
145.01401	0.6
145.04951	0.5
154.99802	0.7
162.89320	0.5
173.00925	1.7
205.03534	2.2
205.05252	0.6
205.07211	1.3
205.15952	1.6
218.09502	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	6.5
57.03447	6.5
59.01383	64.6
61.98812	4.0
68.99832	7.7
69.03441	5.5
70.77447	5.3
71.01392	78.7
71.05016	12.7
72.99310	40.7
73.02938	16.2
75.00874	28.7
78.95875	4.0
81.03448	11.7
83.01402	14.4
85.02980	6.6
87.00884	55.1
89.02445	11.0
96.99297	4.2
99.00899	42.6
99.04526	22.6
101.02458	33.2
106.65141	3.9
111.00881	41.2
112.98822	77.2
115.00372	59.0
115.04033	9.3
117.01944	13.2
124.98809	8.2
125.02459	100.0
127.00339	6.4
129.01936	12.0
142.99886	9.5
143.03511	7.0
145.01428	28.5
154.99861	11.8
159.02992	4.4
161.03575	16.0
173.00958	4.2
187.02498	13.5
205.03546	27.5
205.16008	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0507
Annotation	ISOEUGENITOL
Peak:m/z	Relative Intensity
53.03311	0.2
56.50240	0.3
63.94478	0.3
65.00305	0.8
67.25472	0.3
71.28819	0.3
77.03969	5.2
79.01910	2.8
81.03458	3.0
83.01402	2.6
89.20585	0.3
93.03471	0.4
105.03514	0.4
105.07103	1.1
112.87785	0.3
117.07166	0.3
118.04258	0.4
119.05030	6.5
120.65541	0.3
121.02937	1.0
133.06584	0.8
135.04536	2.9
146.03775	0.8
149.02374	0.3
149.06107	0.6
161.06087	7.7
162.03169	0.4
162.06400	0.5
163.03998	3.6
165.01967	0.3
177.05537	1.0
190.02740	0.3
190.06459	0.5
191.50580	0.3
203.03560	0.8
205.05063	100.0
206.05392	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	205.0507
Annotation	ISOEUGENITOL
Peak:m/z	Relative Intensity
50.29531	0.2
51.35524	0.2
57.03439	0.4
69.08674	1.9
77.03552	0.2
77.03965	5.1
78.41931	0.2
79.01895	2.3
81.03457	2.1
83.01399	2.8
85.10034	0.3
91.05536	0.7
93.03479	0.7
95.05027	2.5
105.03468	0.3
107.05037	0.2
113.86848	0.2
117.07105	0.3
119.05029	3.2
121.02951	3.0
133.06613	1.4
135.04541	1.8
137.06096	0.9
145.03006	0.4
146.03748	0.8
148.01706	0.4
161.02446	1.1
161.06088	3.7
162.03174	0.6
163.04013	5.4
177.05617	0.6
190.02747	1.9
190.06395	1.0
205.05066	100.0
206.05411	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	205.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
69.24328	1.6
83.01391	2.8
89.03989	0.5
91.05547	0.5
93.03487	1.5
95.45322	0.2
98.21803	0.6
100.25211	0.2
106.04250	0.4
107.05039	2.6
117.03485	1.3
119.05016	0.9
120.02204	0.3
121.02978	0.9
121.06579	0.3
133.06583	0.8
134.03755	2.9
135.04553	5.2
145.02971	2.2
148.05286	0.3
149.06113	1.5
159.04538	1.2
161.02499	0.6
161.06059	0.9
162.03247	13.5
163.04030	7.8
167.23297	0.2
176.04797	0.8
177.01939	0.4
177.05591	3.2
187.03979	1.1
190.02716	0.3
205.05069	100.0
206.05412	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	205.087
Annotation	p-Methoxycinnamic acid ethyl ester
Peak:m/z	Relative Intensity
58.50166	0.4
61.86866	0.3
69.31786	1.9
73.72302	0.3
73.93711	0.4
75.85979	0.4
92.19007	0.4
119.05074	0.4
121.03008	0.6
123.01674	0.4
133.02928	0.7
135.04512	0.5
147.04521	1.1
148.05316	0.6
161.06079	0.8
162.06830	1.4
175.04025	0.4
189.05574	7.4
190.06357	100.0
191.06691	4.4
205.05072	1.3
205.08696	20.4
205.12404	1.4
205.15985	0.6
206.09044	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0871
Annotation	Narchinol A
Peak:m/z	Relative Intensity
55.54039	0.2
57.68515	0.1
58.34463	0.1
71.01684	0.2
72.93073	0.2
79.52364	0.1
83.01385	0.2
83.41396	0.1
119.05076	0.2
121.02979	0.5
133.02965	0.2
135.04556	0.3
143.16872	0.2
143.69612	0.1
145.06532	0.1
147.04530	1.2
148.05275	0.6
161.06094	0.5
162.03220	0.2
162.06888	1.7
163.04008	0.2
173.06215	0.2
174.03284	0.2
175.04008	0.5
189.05583	8.2
190.06354	100.0
191.06702	4.8
205.05174	2.6
205.08696	19.3
206.09096	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1234
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.97091	1.4
54.50047	1.4
56.41227	1.5
62.22362	1.4
65.50246	1.6
69.75796	5.2
70.49205	2.1
76.81865	1.4
79.13692	1.4
85.06594	100.0
91.05539	6.7
93.03471	2.8
93.07103	27.1
95.05035	1.4
107.05036	4.4
109.06564	1.7
111.04517	25.1
115.00333	1.7
119.05035	81.5
120.05853	2.2
125.02474	1.7
133.03014	2.3
133.06599	4.5
135.08171	61.0
136.08469	2.0
146.54218	1.6
161.06027	2.7
161.09666	1.8
163.11293	16.0
167.40701	1.5
173.92752	1.5
177.05655	1.7
181.67805	1.7
187.11334	4.9
190.06433	9.4
199.35506	1.7
205.05067	6.1
205.08693	7.1
205.12332	52.2
206.12788	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	206.0823
Annotation	N-Acetyl-L-phenylalanine
Peak:m/z	Relative Intensity
57.80538	0.9
58.02695	2.1
58.02980	38.7
64.17524	0.9
69.10471	2.2
69.10873	5.8
70.02990	15.8
72.00912	6.6
91.05552	13.3
103.05501	1.3
122.52934	1.1
125.66277	1.1
135.04509	1.4
147.04543	38.0
148.04829	1.7
162.09280	1.3
164.07179	100.0
165.07475	4.1
206.08238	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0662
Annotation	Sinapoyl aldehyde
Peak:m/z	Relative Intensity
55.01859	1.0
59.01380	4.6
63.02402	4.7
65.00317	2.1
67.01906	0.9
71.05006	2.4
71.28123	0.6
71.28608	1.0
79.01884	1.7
83.01360	1.2
87.00864	2.9
91.01916	1.6
93.03470	0.7
95.01395	9.0
95.05003	0.9
96.02174	1.2
107.01383	4.8
108.02180	2.0
109.02968	12.8
111.00893	5.4
119.01363	1.6
123.00857	1.6
123.04570	1.2
124.01675	70.1
125.02413	2.7
135.00906	10.1
135.04543	0.8
136.01654	2.0
136.05209	0.8
137.02454	10.5
151.00400	0.9
151.07661	2.0
152.01155	3.4
153.01868	0.9
161.06029	0.9
163.00391	2.8
164.01126	1.1
165.01939	1.1
166.02745	2.9
179.07147	69.1
180.07501	2.9
189.05550	2.9
206.99265	1.6
207.06638	100.0
207.10088	2.3
207.13927	2.4
208.07111	6.2
221.17029	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99466	3.8
77.03950	0.6
87.62510	0.5
87.84536	0.5
93.03465	3.6
95.05038	3.4
105.03462	1.6
121.02957	5.2
123.04527	7.0
133.02948	0.6
148.95915	0.4
149.02452	18.9
163.04022	1.6
177.01945	100.0
178.02312	3.4
191.03537	3.2
192.04303	91.5
193.04654	3.6
201.53120	0.5
207.03053	1.2
207.06650	19.6
208.07025	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.5
61.98837	0.8
72.90434	0.5
95.05032	1.1
98.22536	1.3
105.03468	6.1
123.04515	1.0
133.02965	39.9
134.03323	1.7
149.02451	2.3
160.01741	0.5
163.11293	6.4
164.04831	2.9
166.74553	0.5
177.01941	14.4
177.09204	1.6
178.27943	0.5
192.04297	100.0
193.04639	5.4
207.04674	0.7
207.06642	15.4
207.10316	1.6
207.13904	11.8
224.10623	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0663
Annotation	Sinapyl aldehyde
Peak:m/z	Relative Intensity
77.03966	1.5
84.15942	0.9
90.68791	0.8
93.03460	2.9
95.05043	6.0
103.40811	0.9
105.03440	2.1
116.72135	1.0
121.02959	7.3
138.95074	1.0
142.63239	1.1
149.02460	17.1
150.03206	1.3
162.03191	1.2
163.04012	14.3
164.04784	3.9
165.05540	2.8
176.58513	0.9
177.01939	100.0
178.02306	3.4
188.02124	1.1
191.03508	1.7
192.04294	97.4
193.04570	4.5
196.03723	2.5
207.03384	1.8
207.06641	34.1
208.06918	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0664
Annotation	Sinapyl aldehyde
Peak:m/z	Relative Intensity
65.97659	0.4
66.38306	0.4
71.28054	0.6
77.03952	0.7
93.03446	3.4
95.05035	3.5
105.03459	1.6
107.01407	0.6
121.02946	5.2
123.04533	6.5
135.04504	0.5
137.02448	0.6
149.02458	20.0
150.02904	0.6
163.04030	1.9
163.07716	0.6
164.04793	1.2
165.05579	0.9
177.01936	100.0
178.02293	3.0
191.03484	1.9
192.04294	87.2
193.04616	3.1
196.03806	0.8
207.06630	26.0
207.10251	2.1
207.13896	2.9
208.06903	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0664
Annotation	Sinapyl aldehyde
Peak:m/z	Relative Intensity
55.01878	1.2
59.01384	4.1
63.28860	0.3
65.00286	0.4
67.01907	0.4
73.76019	0.3
77.03978	0.7
79.01900	2.3
79.05519	0.4
80.02672	0.5
81.03465	1.6
83.05012	1.9
85.02966	0.3
93.03481	1.9
95.05034	0.7
97.02956	1.4
97.82253	0.3
107.05043	1.5
108.02206	0.4
109.02982	2.4
109.06601	13.4
110.06898	0.4
120.05753	0.4
121.02932	2.3
121.06593	2.5
122.03741	3.1
123.04535	1.6
133.06593	0.5
135.04472	0.6
135.08194	2.6
136.05304	1.4
137.02438	2.4
137.05136	0.4
137.06091	4.1
138.06490	0.4
139.07666	0.5
148.05316	1.0
149.02451	2.7
150.03239	2.7
151.04012	1.2
161.09727	0.4
163.00403	0.6
163.03996	1.0
163.07654	11.8
163.11302	5.7
164.04756	1.1
164.08432	2.2
165.01910	2.9
165.05608	1.0
177.01941	1.8
177.05571	0.4
179.07150	5.2
179.10745	0.6
191.03474	0.8
192.04312	5.3
192.07959	4.4
196.03775	0.3
205.05070	0.7
207.06636	100.0
207.10211	31.9
208.06970	4.2
208.10509	1.9
224.03241	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0304
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54242	0.8
55.01877	2.1
56.98521	0.6
57.03450	14.5
58.00596	0.9
58.99612	1.4
59.01381	14.8
60.54412	0.7
60.99312	1.6
63.22949	0.7
68.99818	1.2
70.10558	2.1
71.01388	29.9
72.99311	7.0
73.02930	1.7
74.99110	1.0
75.00886	3.9
77.00664	0.7
78.95908	22.8
83.01382	4.1
84.02188	4.0
85.02956	100.0
86.03279	1.8
86.20651	0.8
87.00874	14.6
88.98813	7.0
89.02451	11.9
93.03456	1.2
96.96040	3.5
96.96987	1.9
97.02996	0.6
99.00902	1.3
101.02479	2.1
103.00373	2.0
111.00879	2.4
115.00389	2.0
118.94215	3.6
118.95184	3.0
120.99692	0.9
121.02969	5.2
121.08582	0.7
129.01959	15.4
131.03513	1.3
133.01448	9.3
135.04555	0.8
136.94000	3.3
136.94991	7.2
136.96234	4.0
141.02007	0.9
142.99898	1.2
143.93002	0.7
147.03011	2.8
154.83250	0.7
159.03040	2.7
165.01965	1.9
178.03979	0.7
180.95190	1.1
181.05496	0.7
190.36746	0.6
191.01971	9.7
191.05632	1.5
208.93454	17.8
208.95398	1.6
209.01033	1.6
209.03020	18.9
209.06654	18.1
209.08585	1.1
209.93542	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0456
Annotation	2,4-Diacetylphloroglucinol
Peak:m/z	Relative Intensity
51.52317	1.0
57.03444	2.0
59.01377	3.1
59.14255	1.1
67.01886	2.6
68.99837	1.6
69.03462	1.8
71.01353	1.0
79.01890	1.7
80.02675	2.5
81.03466	28.9
83.01389	18.8
85.02953	1.6
93.03458	6.9
95.05035	56.5
97.02951	10.3
98.21751	3.1
99.04544	14.3
103.63551	1.1
107.01410	3.4
108.02208	1.9
109.02979	1.8
109.06615	1.7
121.02964	14.0
122.03757	12.6
123.00893	1.9
123.03644	2.0
123.04532	27.5
125.02458	40.4
135.04486	1.2
137.02489	1.4
137.06093	53.6
138.06462	1.8
139.04036	10.1
141.05571	3.9
147.04500	1.5
149.02399	1.8
150.03163	2.2
151.00372	3.0
165.01892	2.9
165.05566	11.0
166.02696	1.9
166.06406	2.3
167.03499	68.3
168.03831	1.9
179.03436	2.0
181.05066	8.9
193.01428	1.6
194.02229	1.6
194.05855	6.5
204.17738	1.1
209.04564	100.0
210.04858	2.7
219.06320	1.1
229.04364	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0667
Annotation	D-Mannoheptulose
Peak:m/z	Relative Intensity
51.08895	2.3
54.32148	2.0
55.01870	3.3
57.03450	28.5
58.99607	100.0
59.01379	34.3
60.61259	2.1
63.96227	3.5
68.99803	3.1
69.10806	17.2
71.01385	31.9
72.99301	11.3
73.01174	28.7
73.02946	5.0
73.98323	4.5
74.35007	2.1
74.80654	2.5
74.99106	60.9
75.00871	2.7
77.00671	7.9
79.95757	2.0
80.96523	5.0
83.01397	6.5
84.02169	7.9
85.02959	97.2
87.00887	49.3
87.04525	2.5
89.02441	13.7
93.03522	2.5
98.22601	2.8
99.00884	5.8
101.02445	7.2
102.98601	3.9
103.02233	8.7
105.39928	2.3
111.00900	8.3
119.03504	2.7
120.99691	12.8
121.03311	42.4
129.01949	48.6
131.03473	3.7
133.01425	5.2
135.98293	5.1
136.99161	24.1
142.99883	14.0
149.04514	2.2
159.02977	9.8
173.00974	2.6
191.02060	3.5
191.03835	6.4
191.05626	7.5
209.01302	4.1
209.03061	7.5
209.04823	17.8
209.06674	71.2
209.08609	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	209.0666
Annotation	D-Mannoheptulose
Peak:m/z	Relative Intensity
52.55307	1.5
53.54636	1.5
55.01876	5.4
56.74642	1.6
57.03448	44.5
58.00588	3.7
59.01096	2.0
59.01382	40.6
60.65550	1.4
68.99827	2.8
69.03441	1.9
70.42247	4.3
71.01387	22.2
72.73256	1.4
72.99309	2.8
73.02940	6.8
75.00869	2.3
83.01383	9.0
84.02161	11.3
85.02955	100.0
87.00880	49.9
87.04515	1.7
89.02438	13.9
97.02953	4.7
97.03821	1.8
99.00887	7.7
101.02470	10.0
110.94381	1.7
111.00862	7.7
115.04036	2.0
115.86491	1.6
119.03513	2.2
120.99660	2.4
129.01944	54.4
131.03484	6.6
136.63313	1.6
136.99220	1.8
141.01930	6.1
159.03003	10.8
191.05602	6.6
209.06677	97.7
210.06985	4.0
226.32973	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0809
Annotation	(+)-3-Hydroxy-5-(p-hydroxyphenyl)pentanoic acid
Peak:m/z	Relative Intensity
55.01882	1.1
57.03434	0.4
59.01378	0.7
65.00327	1.1
67.01901	0.3
68.99847	0.2
71.05022	2.6
73.02953	0.9
77.03979	0.9
79.01897	5.9
80.02665	0.3
81.03449	0.5
83.01395	0.3
83.05000	0.2
85.06598	3.4
87.04530	1.9
92.99836	0.3
93.03470	0.7
95.05035	13.5
96.05373	0.4
97.02960	5.2
99.08187	0.4
107.05038	1.1
109.02974	0.4
109.06608	5.5
111.00916	0.3
111.04531	9.0
112.04794	0.2
121.02975	7.0
121.06599	0.7
122.03734	0.4
123.08163	6.5
124.04079	0.3
124.08486	0.3
135.04449	0.3
137.02475	0.6
138.03230	1.0
139.04021	13.5
139.90514	0.2
140.04370	0.3
141.09218	0.9
141.41476	0.2
147.08179	3.2
148.05309	0.3
149.06099	0.3
150.06883	2.0
153.05566	0.5
163.07690	2.7
164.98325	0.3
165.01958	3.6
165.09218	50.2
166.02750	1.8
166.09529	2.6
167.07138	0.4
177.02295	0.2
181.05235	0.3
191.07153	3.6
207.06633	0.2
209.08200	100.0
210.05334	0.5
210.08545	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	209.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.8
59.01371	2.1
62.62547	0.7
65.00319	2.5
67.01886	3.3
69.03442	0.9
71.01405	1.0
71.28694	0.8
81.03446	4.1
83.01401	3.7
85.02950	2.1
93.03465	6.8
94.02985	1.4
95.01407	3.2
95.05033	7.8
96.96040	2.1
97.02994	0.8
99.04567	1.3
106.20378	0.8
106.25638	0.8
107.01387	3.8
107.05038	1.4
108.02183	1.2
109.02956	14.1
111.00894	2.6
121.02967	24.4
122.03751	2.3
123.00888	5.8
123.04543	6.4
124.04068	1.8
125.02459	6.0
135.04501	2.1
137.02454	44.9
137.06032	4.1
138.02892	1.1
139.04022	1.8
149.02400	1.5
150.03186	0.9
151.00372	10.5
151.04030	11.7
153.01903	1.3
161.02402	2.2
165.01939	1.7
165.05617	4.5
165.09229	2.3
166.02733	6.3
167.03510	4.0
179.00044	6.3
179.03510	100.0
180.03836	3.1
181.05127	1.4
191.07213	1.0
194.02226	15.5
194.05849	63.8
195.06192	3.0
208.99248	1.0
209.02705	1.6
209.04587	21.1
209.08191	23.2
209.11356	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.082
Annotation	3,4-Dimethoxymethylbenzoate
Peak:m/z	Relative Intensity
53.29600	0.3
68.99819	14.0
70.00164	0.3
71.04619	0.4
71.05023	7.5
79.01891	0.4
80.02684	0.9
85.87999	0.3
87.04489	0.3
92.83152	0.3
95.05032	14.3
111.04526	0.4
113.09746	2.7
121.02987	0.9
124.01670	0.3
139.04033	1.0
151.04045	1.2
165.09239	1.6
166.06360	1.3
179.03513	6.3
179.05011	0.3
181.08778	0.7
194.05862	3.8
209.08202	100.0
210.08557	4.1
210.34824	0.3
226.04863	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.082
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43292	0.4
55.01876	1.4
56.85033	0.4
59.01349	0.5
65.00336	0.6
69.13232	3.0
71.05031	3.1
73.02950	0.9
77.03962	1.4
79.01895	5.0
83.05023	0.5
85.06611	3.0
87.04535	2.2
93.03455	0.8
95.05034	12.1
97.02952	5.5
98.21767	0.8
99.08158	0.5
107.05035	0.8
109.06606	4.7
111.03757	0.6
111.04529	10.3
113.71072	0.4
121.02962	5.1
121.06589	0.6
122.03743	0.8
123.07298	0.4
123.08171	7.1
125.02428	0.5
135.04463	0.4
137.02513	0.6
138.03226	0.7
139.04030	16.0
141.09222	1.1
147.08180	3.2
150.06863	1.7
161.71791	0.4
163.07607	3.0
165.01961	4.1
165.09218	44.4
166.02654	1.6
166.09528	2.5
167.07195	1.0
174.01480	0.4
179.03511	0.9
191.07146	3.4
194.05986	0.5
209.08199	100.0
210.08507	4.5
225.78342	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98967	1.0
57.03434	1.8
59.01374	3.8
60.20124	0.9
61.98828	2.4
62.68035	1.0
65.00320	3.3
69.04649	8.5
76.88678	0.9
80.91674	1.0
81.03461	17.3
83.01392	2.4
83.08734	0.9
92.99833	3.6
93.03531	1.0
93.52229	0.9
95.01408	1.3
95.68700	0.9
96.56871	1.0
96.96033	1.1
99.08144	1.9
101.06107	1.8
107.01393	1.8
118.94251	1.4
121.02969	67.5
122.03735	4.3
123.08166	6.5
124.04056	3.3
125.02447	6.3
125.06102	11.7
136.98886	1.1
151.00385	4.4
164.98308	3.9
165.09222	66.3
166.09615	2.1
166.94365	1.0
189.32329	0.9
191.07112	2.7
194.02208	1.3
199.52626	1.1
209.04610	5.7
209.08202	100.0
210.08501	4.1
213.52481	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84503	0.1
55.01875	1.5
57.03454	0.5
59.01380	0.6
63.91634	0.1
65.00336	0.6
67.01888	0.1
67.05539	0.2
68.28031	0.1
68.99818	0.8
69.03452	0.2
69.10941	0.3
69.11362	0.8
71.05020	3.0
73.02954	0.7
77.03987	0.8
79.01896	6.0
79.05547	0.2
80.02684	0.7
81.03461	0.4
82.46550	0.1
83.01398	0.3
83.05021	0.4
85.06596	3.3
87.04522	2.1
93.03452	0.7
94.04259	0.1
95.01435	0.2
95.05032	15.6
96.05364	0.4
97.02955	5.0
99.08162	0.4
105.07106	0.2
107.05060	1.0
109.02981	0.5
109.06603	4.5
111.04528	10.1
112.04825	0.3
119.08660	0.2
121.02973	2.2
121.06611	1.2
122.03773	0.8
123.08176	8.4
124.08514	0.4
135.04501	0.2
137.02481	0.3
137.09830	0.1
138.03191	0.8
139.04028	13.7
140.04370	0.5
141.09270	0.9
145.06660	0.2
147.07080	0.3
147.08176	3.9
148.08502	0.2
149.06075	0.6
150.06868	1.7
153.05560	0.3
159.37617	0.2
163.07660	2.2
165.01964	4.1
165.09219	60.8
166.02716	1.3
166.09558	2.6
167.07150	0.3
179.03508	0.2
187.84474	0.1
191.07143	4.8
192.07472	0.3
194.05811	0.3
209.08200	100.0
210.08537	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	209.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67337	0.3
54.52029	0.4
57.03440	1.2
59.01373	1.3
63.02388	0.5
65.00327	3.1
65.64625	0.4
69.16576	2.4
71.05016	0.5
81.03461	16.1
83.01395	2.9
92.38704	0.3
95.05024	1.0
98.10343	0.3
99.08161	2.9
101.06087	1.7
105.07112	0.5
107.01399	1.9
107.05047	0.5
111.04527	1.0
113.28985	0.3
121.02944	1.7
121.06599	0.6
122.88607	0.3
123.08168	7.2
124.01665	0.8
125.02451	5.4
125.06087	15.6
135.04535	0.5
136.05318	2.0
137.06038	0.6
139.04015	0.9
141.09222	1.3
147.08162	3.0
149.06062	0.5
150.06810	0.5
151.00417	3.0
152.01155	1.1
165.09212	55.8
166.09560	1.9
167.07085	0.5
179.03487	0.4
191.07152	4.6
209.08195	100.0
210.08522	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	209.082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49102	0.4
57.03450	1.8
59.01383	1.2
65.00321	3.7
67.83897	0.5
67.99295	0.4
69.17833	3.4
69.18232	1.2
81.03459	19.5
83.01384	2.2
83.05032	0.7
95.05031	0.6
99.08162	1.6
101.06072	1.6
103.23173	0.4
107.01408	2.9
111.04588	0.6
111.89291	0.4
121.02975	3.4
122.03759	5.9
123.04620	0.6
123.08173	8.8
124.74750	0.5
125.02456	7.0
125.06094	14.1
126.00817	0.5
147.08231	0.5
151.00389	5.4
151.16972	0.4
154.75385	0.4
165.01961	0.5
165.09215	65.4
166.09563	2.7
167.07253	0.5
176.04919	0.7
191.07152	2.8
209.08199	100.0
209.11626	2.8
210.08525	4.7
211.20755	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.082
Annotation	Sinapyl alcohol
Peak:m/z	Relative Intensity
55.01865	1.1
55.58489	0.5
59.01377	0.7
65.00319	0.5
66.14103	0.4
71.05025	2.1
71.28899	0.5
75.67714	0.4
77.03963	0.7
79.01894	6.2
85.06609	3.8
87.04500	1.2
94.80034	0.4
95.05035	9.2
97.02944	4.7
99.08241	0.5
107.05072	0.6
109.06586	3.7
111.04526	8.6
121.02972	4.1
121.06584	0.5
122.03770	0.5
123.08175	7.2
137.02437	0.6
138.03200	1.0
139.04028	13.1
139.05032	1.0
141.09200	0.8
143.91592	0.5
147.08177	3.2
148.05348	0.5
150.06900	1.1
163.07658	2.5
165.01955	3.1
165.09221	37.5
166.02708	1.9
166.09523	1.9
191.07133	3.6
207.06598	0.6
209.08205	100.0
210.08560	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	209.082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.8
57.29156	0.7
59.14378	0.7
68.75906	0.7
79.01897	30.6
80.02302	0.7
81.03470	3.1
81.52289	0.7
83.01385	1.3
83.05059	0.9
92.44881	0.7
95.01386	1.1
97.02960	1.9
109.06663	0.7
111.28707	0.6
119.08681	2.3
121.02985	6.3
121.06661	0.9
123.00883	1.7
124.01650	3.4
125.02461	21.7
125.06092	12.1
129.07143	0.9
132.54843	0.6
136.01680	1.2
137.02467	9.3
137.09714	7.3
138.03241	33.3
139.03574	1.5
148.01613	0.8
151.00383	15.3
151.04008	1.0
152.04779	2.2
165.09209	5.2
166.02716	21.9
167.03139	0.7
170.02222	17.7
170.03676	1.0
176.04755	2.7
179.03496	1.5
180.04300	2.1
184.03796	2.0
191.07143	16.8
194.05814	1.1
209.08205	100.0
210.08540	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.6
59.01373	1.0
67.01891	0.7
71.01352	0.5
71.28924	0.6
81.03452	0.8
85.02940	1.8
92.99834	0.7
93.03465	7.1
95.05024	1.3
96.95988	0.9
108.02204	0.6
108.36473	0.5
109.02956	9.2
121.02961	16.5
121.06580	2.1
123.00894	0.7
123.04518	1.9
125.02413	1.0
135.04517	1.1
137.02452	44.1
137.06056	1.0
149.02477	0.6
150.03181	0.6
151.00368	2.1
151.04013	10.5
161.02409	1.2
164.94057	0.6
165.01935	1.9
165.05598	2.6
166.02687	1.6
167.03508	0.7
179.03503	100.0
180.03889	3.6
193.04999	0.7
194.02280	3.0
194.05847	66.2
195.06134	2.2
209.00993	1.3
209.04637	4.8
209.08191	16.4
210.04716	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.082
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64377	1.4
59.01381	2.2
61.98841	1.9
65.00311	2.1
75.14632	1.4
92.99826	5.5
94.03004	1.7
95.05032	1.5
96.96011	1.7
98.22533	5.2
121.02975	100.0
122.03321	3.4
123.04510	12.0
124.04055	3.5
125.55743	1.5
130.04935	1.6
136.01591	1.4
136.98700	1.4
137.02475	3.1
151.04015	22.9
162.52344	1.5
164.98288	4.8
165.05644	2.2
166.05133	1.6
179.03519	95.9
180.03836	2.9
194.02208	3.0
194.05852	71.8
195.06255	2.1
209.01146	1.3
209.04575	12.1
209.08148	16.7
209.11719	1.6
209.15575	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0821
Annotation	(+)-3-Hydroxy-5-(p-hydroxyphenyl)pentanoic acid
Peak:m/z	Relative Intensity
51.40075	0.4
52.36339	0.5
55.01880	1.2
55.85594	0.4
57.03438	0.5
59.01368	0.6
63.04349	0.5
68.99809	1.8
69.11809	3.6
71.05037	2.2
73.02931	0.5
74.99181	0.4
76.26491	0.4
77.03992	0.7
79.01898	4.2
83.05000	0.4
85.06604	2.6
87.04512	1.3
92.99828	0.7
95.05035	11.6
97.02969	3.9
98.21834	1.1
99.08201	0.4
107.05061	0.6
109.02945	0.7
109.06622	3.0
111.04521	6.9
121.02965	10.0
121.06581	1.1
122.03767	0.7
123.08192	5.7
138.03239	0.8
139.04030	10.6
141.09186	0.9
147.08168	2.8
150.06883	1.1
152.70047	0.5
163.07666	1.6
165.01993	3.1
165.09215	41.8
166.02707	1.3
166.09558	1.7
167.07114	0.6
179.03456	0.7
191.07140	3.7
209.08200	100.0
209.11644	2.3
210.08580	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.8
59.01371	2.1
62.62547	0.7
65.00319	2.5
67.01886	3.3
69.03442	0.9
71.01405	1.0
71.28694	0.8
81.03446	4.1
83.01401	3.7
85.02950	2.1
93.03465	6.8
94.02985	1.4
95.01407	3.2
95.05033	7.8
96.96040	2.1
97.02994	0.8
99.04567	1.3
106.20378	0.8
106.25638	0.8
107.01387	3.8
107.05038	1.4
108.02183	1.2
109.02956	14.1
111.00894	2.6
121.02967	24.4
122.03751	2.3
123.00888	5.8
123.04543	6.4
124.04068	1.8
125.02459	6.0
135.04501	2.1
137.02454	44.9
137.06032	4.1
138.02892	1.1
139.04022	1.8
149.02400	1.5
150.03186	0.9
151.00372	10.5
151.04030	11.7
153.01903	1.3
161.02402	2.2
165.01939	1.7
165.05617	4.5
165.09229	2.3
166.02733	6.3
167.03510	4.0
179.00044	6.3
179.03510	100.0
180.03836	3.1
181.05127	1.4
191.07213	1.0
194.02226	15.5
194.05849	63.8
195.06192	3.0
208.99248	1.0
209.02705	1.6
209.04587	21.1
209.08191	23.2
209.11356	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.082
Annotation	3,4-Dimethoxymethylbenzoate
Peak:m/z	Relative Intensity
54.79459	0.2
57.28204	0.3
59.01376	0.5
66.01116	0.3
68.84164	0.3
68.99816	0.5
69.27868	1.1
69.28271	0.7
69.99046	0.2
73.02959	0.3
79.01898	1.2
79.05513	0.3
85.02975	0.3
91.01910	0.9
93.03461	0.4
95.01388	0.3
95.05026	0.5
96.97092	0.2
97.03000	0.2
98.85628	0.2
108.02219	0.3
109.02972	0.7
111.00909	1.6
111.04529	31.6
112.04824	0.6
120.02199	0.9
121.02968	43.8
122.03198	0.5
123.04543	1.7
123.08193	0.3
124.01656	0.9
124.04082	0.3
135.04500	0.3
136.01691	0.6
137.02441	0.4
137.09731	2.8
139.00404	1.3
139.04031	6.0
147.08238	0.3
150.03218	0.5
151.00386	2.2
151.04028	0.8
163.00409	0.3
163.60275	0.3
165.01944	0.4
165.05545	0.7
165.09227	1.1
166.02731	0.6
166.06355	1.7
167.03523	0.2
177.01949	0.7
179.03535	1.2
181.08751	0.5
188.05183	0.2
191.07098	0.4
194.02205	0.5
194.05846	3.0
194.09483	0.6
198.05376	1.8
209.04607	6.3
209.08200	100.0
210.08551	4.1
221.20316	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1185
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
57.03453	1.9
59.01383	100.0
60.01727	1.1
66.56703	0.5
69.04424	4.9
79.01903	4.1
81.03471	1.5
97.06608	2.1
109.06615	2.1
111.04462	0.6
116.50760	0.6
121.02965	7.5
123.00912	0.6
125.02480	4.3
125.06088	2.3
137.02443	0.9
137.09802	1.3
138.03232	4.6
151.00374	2.3
152.04807	0.7
161.09430	0.6
163.11302	6.7
165.09219	1.6
165.12881	3.7
166.02705	2.2
170.02222	2.0
180.04352	0.7
191.07127	3.0
194.05653	0.5
209.04486	0.9
209.08232	16.7
209.11815	17.8
210.04768	0.5
210.08502	1.0
212.77916	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0248
Annotation	5-Carboxyvanillic acid
Peak:m/z	Relative Intensity
56.88087	1.1
57.03433	1.8
59.01363	1.6
65.00331	2.0
68.99834	1.1
69.03448	4.1
71.04891	1.2
71.36023	1.7
75.00883	2.2
75.41481	1.1
78.95904	2.6
80.02674	1.4
83.01408	3.5
83.05037	1.1
90.93735	1.1
93.03467	2.1
95.01402	4.0
95.05053	1.1
96.96013	7.7
97.02995	1.3
107.05049	2.6
108.02183	60.2
109.02961	4.2
111.00890	1.3
111.04532	2.7
117.03477	3.7
120.30891	1.1
121.02985	2.6
123.00883	3.2
123.04535	16.5
124.01624	1.5
124.04073	4.7
125.02449	8.6
125.04378	1.4
131.07193	1.4
134.03761	2.0
135.00897	4.6
135.04593	1.3
136.01620	0.9
137.02454	14.9
141.01988	1.1
149.02504	1.5
150.03224	4.9
151.04044	7.0
152.01161	100.0
153.01804	4.2
153.05566	4.9
161.02513	7.8
163.00386	23.3
166.02730	6.7
166.91055	2.1
167.03508	13.8
177.01942	3.6
178.02713	16.1
178.99829	1.5
179.03510	12.1
181.01439	4.9
181.05052	4.0
182.02200	1.8
183.06598	5.8
193.05070	6.0
196.00117	7.9
196.03812	10.8
205.01517	1.1
211.02489	44.6
211.04358	2.2
211.06073	22.2
211.13387	2.8
212.02785	1.6
212.06451	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.025
Annotation	5-Carboxyvanillic acid
Peak:m/z	Relative Intensity
54.25621	0.6
56.75842	0.6
59.01375	0.9
63.02401	5.3
64.99982	1.2
65.00330	21.9
72.43649	0.6
74.79674	0.6
78.38931	0.6
83.01392	10.3
83.49046	0.5
94.56020	0.6
95.01385	0.7
103.44919	0.7
107.01397	27.6
108.99312	0.7
125.04457	0.7
137.02458	2.0
151.00378	100.0
152.00714	3.9
153.05586	1.6
158.44730	0.6
169.01486	1.2
178.99881	4.9
181.05127	1.4
196.07457	1.4
211.02475	16.3
211.05870	0.9
211.09766	1.2
211.13441	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0613
Annotation	Danielone
Peak:m/z	Relative Intensity
52.40125	1.8
59.01379	3.7
65.00288	2.2
65.03946	4.7
69.03451	11.2
69.25937	11.3
78.95893	5.4
83.01401	15.5
83.05035	3.2
91.01923	2.2
93.03459	13.8
95.01390	12.5
96.02186	2.0
96.96032	7.6
98.21733	4.4
107.05042	9.5
108.02177	23.5
109.02979	15.7
111.04529	12.5
117.03462	10.4
123.00912	5.3
123.04533	8.7
124.01691	3.9
125.02440	10.9
135.00948	3.2
135.04553	8.0
137.02457	83.7
138.02866	2.2
139.03996	3.8
141.66785	1.9
149.02402	2.2
151.04031	32.3
152.01170	36.5
153.01886	2.3
153.05594	4.7
161.02444	23.8
163.00352	8.1
164.01118	6.1
166.91045	7.3
166.93901	2.1
167.03499	8.0
177.01994	6.4
178.02696	7.8
179.03508	45.6
181.05090	2.3
193.01408	2.5
193.05032	5.8
196.00063	3.1
196.03802	4.7
205.01414	3.0
211.02557	21.8
211.06120	100.0
211.13446	4.6
212.06470	3.9
222.12695	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0974
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
59.01390	0.4
62.51514	0.3
67.01910	0.7
69.03480	0.8
69.49754	0.5
69.50159	1.1
81.71937	0.3
83.01437	0.9
84.55949	0.3
95.01398	4.3
96.96057	1.1
97.02956	3.7
97.03507	0.3
107.05077	0.9
109.02988	0.7
111.00904	0.4
123.00919	0.4
123.04517	2.3
124.04077	0.4
125.02502	1.6
136.01636	0.4
137.02455	4.7
150.03249	0.5
151.04028	8.2
153.05597	11.9
165.72902	0.3
167.05000	0.4
167.07199	0.7
179.60883	0.4
181.05084	100.0
182.03798	0.7
182.05400	2.9
183.04486	0.9
196.07420	64.3
197.07762	1.9
210.03194	0.7
211.04059	11.0
211.06059	0.7
211.09758	11.7
211.13295	1.2
212.04350	0.6
212.10181	0.4
216.49158	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
63.39468	0.6
71.01373	0.5
77.66235	0.5
83.01402	0.7
95.01393	4.9
97.02946	3.6
107.05034	0.9
123.04529	2.6
124.68992	0.6
125.02460	1.6
137.02483	1.6
138.50755	0.6
145.64252	0.7
150.03279	0.9
151.04037	8.8
153.05586	12.4
158.18690	0.7
167.10774	1.3
167.36218	0.7
172.84059	0.6
176.28082	0.6
181.05080	100.0
182.05380	3.2
196.07420	66.9
197.07843	1.7
211.06329	0.8
211.09790	12.4
211.13409	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	211.1341
Annotation	Putaminoxin
Peak:m/z	Relative Intensity
59.01373	1.3
69.03449	2.0
71.27943	0.7
71.28358	0.9
85.49794	0.5
86.00487	0.7
88.73121	0.6
95.01385	1.6
96.93019	0.6
97.06601	1.2
110.26331	0.6
111.04512	1.6
123.00842	1.0
125.04417	0.6
141.01891	0.9
141.09229	1.3
149.06146	0.8
150.03239	0.7
152.04832	3.4
153.05540	0.7
164.04584	0.6
166.99931	1.0
167.07143	1.2
167.10767	1.8
167.14456	2.4
178.02731	1.0
183.13913	16.7
192.97859	0.9
193.05009	3.1
193.12416	4.9
195.31122	0.6
196.03746	2.3
206.23706	0.6
211.04242	1.6
211.06203	7.1
211.09877	2.4
211.13402	100.0
212.13705	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	211.1341
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
61.97866	0.4
63.62774	0.4
67.01886	0.8
68.35862	0.4
68.54828	0.4
71.01379	0.9
72.26128	0.4
80.52696	0.5
81.03437	0.5
81.07103	0.8
87.04493	0.4
95.01401	1.7
97.03008	0.5
97.06599	4.2
109.06612	1.5
111.04527	1.4
111.08163	1.3
121.02968	0.5
123.04533	0.8
123.08157	0.7
125.09728	1.6
136.01686	0.6
139.04027	1.0
141.05592	4.8
141.09245	0.5
151.04034	1.0
153.05542	0.5
154.06349	4.0
167.14442	5.8
183.13925	1.6
186.05374	1.0
192.97835	0.5
193.05075	0.7
195.10266	1.9
211.06035	1.2
211.09923	26.4
211.13402	100.0
212.10170	1.4
212.13730	3.9
228.66435	0.6
231.41963	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.056
Annotation	4,4'-Dimethylangelicin
Peak:m/z	Relative Intensity
52.66503	0.4
57.03431	0.3
69.23788	1.6
69.63748	0.3
115.05556	0.9
129.07112	1.2
130.04218	0.7
132.08286	0.3
139.05540	1.3
141.07114	6.3
143.05040	12.0
144.05348	0.4
145.06635	2.7
146.06802	0.4
151.05472	0.8
155.05038	0.4
156.05771	1.0
157.06596	8.2
159.04535	1.0
161.06091	2.4
167.05037	9.7
168.05820	2.2
169.06602	8.5
170.03645	0.4
170.06892	0.5
171.02298	0.5
171.04544	11.7
172.05266	0.4
183.04541	3.3
184.05267	3.8
185.06085	55.8
186.06461	2.9
187.03986	0.6
189.05588	0.4
195.04523	14.4
196.05280	6.0
197.05716	0.4
198.03259	1.4
199.04016	2.6
211.04019	4.9
212.04802	10.6
213.05588	100.0
214.05989	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	213.077
Annotation	GEIR-2
Peak:m/z	Relative Intensity
57.79297	0.7
59.01384	21.9
69.03456	1.4
69.57263	1.4
69.57666	2.2
83.05090	0.6
84.78253	0.7
85.17422	0.7
88.62729	0.7
93.19278	0.9
107.05063	3.7
109.06602	100.0
110.06944	2.5
134.64900	0.7
138.02733	0.9
139.00360	1.5
141.05562	1.1
151.07616	1.3
153.05592	38.5
154.05856	0.7
169.08701	2.6
182.99149	0.7
195.06581	1.9
197.64386	0.7
198.01701	2.1
213.02135	0.9
213.05673	2.2
213.07680	27.6
213.14928	1.9
213.18594	1.3
214.08136	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.077
Annotation	Botryolide A
Peak:m/z	Relative Intensity
59.01371	2.2
59.44047	0.7
69.03455	1.1
69.51010	3.3
71.01372	1.7
72.99307	4.5
73.02959	3.0
81.03452	2.1
85.02958	9.3
85.06592	4.4
86.02759	0.6
87.00877	15.2
87.04517	11.5
95.05043	1.6
97.02961	1.1
97.06590	2.5
99.04513	5.0
99.08163	1.2
101.02448	8.8
111.04523	8.6
111.08127	1.6
113.06093	7.8
123.08197	1.0
124.01704	0.8
125.02428	3.7
125.06097	1.9
126.62331	0.7
127.00365	0.8
127.07637	1.2
138.22672	0.6
139.07631	1.2
141.05557	2.1
142.37520	0.8
143.03531	1.0
143.07178	3.2
148.95224	0.6
149.33882	0.6
151.07649	1.4
153.05573	3.0
155.07144	11.6
160.28241	0.6
167.07124	1.6
173.48068	0.6
185.08170	0.7
195.06615	4.2
211.32454	0.7
213.07695	100.0
214.08022	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	213.1134
Annotation	(+)-Hexylitaconic acid
Peak:m/z	Relative Intensity
56.67091	8.6
69.12592	25.9
69.13017	30.6
113.02504	21.2
118.92453	25.1
169.12378	100.0
197.99232	29.6
199.06570	9.6
213.01566	16.7
213.11263	57.9
213.14897	41.7
213.18611	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	213.1497
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
59.01376	0.8
62.88915	0.4
118.92403	0.5
131.84543	0.4
173.11957	0.4
183.13914	32.8
184.14262	1.4
195.13913	26.1
196.14223	1.0
197.99234	0.6
209.35368	0.4
211.13373	0.9
213.14978	100.0
214.15312	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	214.0511
Annotation	Confusameline
Peak:m/z	Relative Intensity
64.30730	0.8
65.99854	18.5
66.03453	0.7
68.01414	1.3
68.99820	15.3
69.02401	6.2
78.20529	0.7
90.44292	0.7
91.73867	0.7
115.05553	11.2
116.05070	14.1
117.03512	2.1
117.05302	0.7
142.06638	39.6
143.05042	5.0
143.06943	1.1
144.00896	1.7
168.04646	1.8
170.06070	1.0
177.90373	2.5
186.05621	54.4
187.05948	2.5
210.25308	0.7
212.03543	22.3
213.03990	1.0
214.05115	100.0
215.01001	18.5
215.05423	5.7
215.07201	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.129
Annotation	UNDECANEDIOIC ACID
Peak:m/z	Relative Intensity
57.03451	1.3
57.38577	0.6
57.56548	0.7
59.01357	1.1
59.43787	0.6
62.26056	0.7
65.01160	0.6
108.26777	0.7
125.09710	1.3
133.04518	0.6
144.00940	3.3
151.11272	0.9
153.12863	55.8
154.13202	1.2
171.13892	1.7
197.11841	58.4
198.12169	2.4
215.00998	24.2
215.12881	100.0
215.16402	2.9
216.01399	1.1
216.13226	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	216.0149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96085	8.1
58.66936	8.1
59.01385	100.0
67.99167	8.7
68.38223	8.0
71.01373	23.8
71.27290	9.0
72.00909	19.4
72.99315	71.3
73.53661	7.8
83.05038	27.8
85.02951	11.7
87.00870	13.9
88.04031	9.6
93.03454	14.2
93.54638	8.3
97.02998	12.4
98.02485	15.6
99.00861	10.5
111.00867	19.0
111.04510	30.9
114.05651	9.3
127.04026	29.7
137.02481	13.0
142.99873	12.2
144.02988	27.0
144.12282	9.2
148.39360	9.1
155.03493	34.3
170.04593	8.1
173.00877	10.5
173.99532	34.2
174.99147	40.6
179.65326	8.2
199.02490	17.9
216.01219	38.4
216.08739	24.5
217.00185	14.1
217.03587	14.5
217.07150	17.0
236.81454	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	216.9393
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28663	1.0
59.01369	3.3
60.99312	15.6
69.03473	1.6
71.01378	2.7
71.18743	1.4
71.19108	1.4
72.99303	4.6
78.95914	10.0
80.81766	1.1
83.05040	2.8
88.04054	3.6
88.98812	100.0
89.99181	1.1
93.03477	3.1
95.55149	1.0
96.96032	6.3
96.96967	8.3
97.02962	2.2
103.92024	1.6
104.92785	1.4
111.04514	1.4
126.94408	59.4
127.04031	3.0
137.02483	2.4
144.94531	2.2
146.08244	2.1
155.03522	1.9
173.96162	1.5
198.90573	3.3
199.02554	1.4
199.06151	2.0
216.90790	1.1
217.01596	1.6
217.07143	2.6
218.10240	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1035
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
58.76231	0.5
59.01379	8.5
60.01706	2.9
69.78215	2.6
71.01385	13.0
71.05022	19.8
72.00902	0.9
77.19070	0.6
81.79125	0.7
88.04047	100.0
99.04520	5.9
107.06118	0.6
116.03523	1.2
116.07186	2.9
125.52150	0.7
129.05603	1.2
130.93723	0.7
146.08243	53.3
147.08591	1.0
174.99301	0.9
175.99631	1.4
209.22090	0.7
218.00656	1.5
218.10332	20.6
219.10779	0.9
219.17595	1.2
227.16689	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	4.9
59.01368	8.6
66.47591	2.1
69.03443	4.3
70.36605	1.9
71.01384	7.2
71.05021	3.0
71.26727	3.2
72.99306	3.4
73.02954	4.2
75.00871	4.9
78.95892	6.3
81.03458	22.3
83.01391	26.7
83.05016	3.1
85.02959	12.7
85.06608	3.3
87.00882	20.5
87.02743	6.9
87.04523	5.6
88.98789	11.2
97.02962	28.7
99.00918	3.5
99.04528	21.5
101.02470	11.1
103.92002	3.4
109.02946	4.8
111.00874	5.5
111.08250	2.2
112.82729	2.2
113.02416	2.5
115.04035	8.0
125.02454	100.0
126.56422	2.0
127.00382	5.6
128.94223	6.3
129.01941	9.7
129.03664	3.0
131.01755	3.0
131.03525	3.8
131.05334	5.0
139.00436	5.1
139.04036	8.0
143.03549	8.0
145.01436	2.7
147.04707	7.8
149.06134	3.2
157.05038	4.6
157.08569	2.2
159.03012	22.2
159.04338	3.1
172.73262	2.3
175.03990	3.9
177.05545	4.9
184.80829	2.6
187.02536	19.6
200.90334	5.0
201.04013	2.7
218.90533	3.6
219.03084	4.2
219.04837	21.5
219.06744	10.2
219.08727	4.9
219.17560	73.7
220.08255	2.8
220.17889	4.0
229.80750	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	219.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14467	0.2
59.01374	0.4
63.02398	1.9
65.00337	0.9
65.93504	0.2
69.58645	1.2
89.00324	0.3
93.06837	0.3
105.03413	0.3
107.01434	0.5
109.06594	1.1
111.04533	0.6
131.10341	0.2
131.11485	0.3
139.02914	0.3
149.02452	0.4
151.07654	0.6
153.05655	0.3
159.04491	0.2
160.05328	0.7
161.02452	1.4
162.03136	0.2
175.04033	0.8
175.07680	1.4
175.75136	0.3
176.01125	0.5
176.04755	0.4
177.05591	0.7
191.14427	0.5
202.40474	0.3
203.01567	0.6
203.03520	17.4
204.04280	27.6
205.04657	0.9
219.06638	100.0
219.17508	1.0
220.06973	4.4
236.03175	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.082
Annotation	2E,4E,8E,10E-Dodecatetraenedioic acid
Peak:m/z	Relative Intensity
54.81318	0.6
54.92448	0.5
59.01372	0.7
69.50159	2.6
72.28294	0.5
77.03965	1.7
77.16061	0.6
79.01903	1.6
87.04519	0.7
93.66788	0.6
95.05023	0.7
98.21848	0.9
107.05038	5.1
108.02191	1.6
109.02950	1.4
111.04523	14.7
121.02998	0.8
122.03720	1.5
123.04536	16.9
128.75398	0.6
149.02487	4.4
150.03229	2.4
151.04013	24.9
152.04372	0.6
159.08113	1.1
175.07698	2.0
177.01938	5.8
177.09232	1.0
178.02612	0.8
193.08728	8.7
203.07150	19.6
221.08200	100.0
221.15437	2.3
222.08600	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	221.0821
Annotation	Apiole
Peak:m/z	Relative Intensity
53.34452	0.7
59.01390	3.5
63.22506	0.6
68.53486	0.6
69.24406	1.9
69.24814	2.2
71.05037	3.2
71.92175	0.5
72.25326	0.6
75.40877	0.6
76.51055	0.6
79.28044	0.6
79.80148	0.5
81.03436	1.7
95.01425	0.7
97.13569	0.6
101.41287	0.7
104.73685	0.6
107.01396	9.9
108.02185	25.6
112.78631	0.6
119.05003	0.6
122.03708	1.1
123.00903	6.3
123.04528	19.3
124.01684	0.8
125.02430	2.7
135.00894	9.8
136.05284	2.0
137.02440	1.1
146.03734	7.7
148.01665	0.8
151.04001	0.8
155.92567	0.8
161.06090	2.1
163.04048	3.6
164.04813	12.4
177.05580	0.6
178.06252	1.3
179.07150	5.2
191.03474	2.3
202.91826	0.6
205.05077	2.1
206.05849	100.0
207.06201	3.2
221.04697	1.2
221.08211	46.5
221.11777	1.9
222.08560	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	9.4
56.04322	1.5
57.03461	9.1
58.00600	2.5
58.15570	1.7
59.01382	100.0
68.98609	13.7
71.01385	78.2
72.99297	5.9
73.02947	30.7
78.95926	2.9
83.01391	20.6
84.46158	1.5
85.02954	50.4
86.00101	3.2
87.00897	5.2
87.93984	1.5
89.02445	11.6
95.01392	6.4
97.02996	2.7
99.00876	9.5
101.02447	78.3
102.02789	1.6
111.00854	2.1
113.02458	34.5
119.03503	1.6
159.02971	4.8
161.04518	10.5
178.98532	6.9
220.99594	4.0
221.04744	2.7
221.10191	11.3
222.07762	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	221.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29791	0.1
55.01884	1.4
68.03504	0.1
69.11257	0.5
69.11686	0.5
80.02660	0.2
81.03455	2.0
95.05032	1.0
97.06618	0.2
105.07110	0.1
107.08670	1.3
109.02960	0.3
120.05840	0.2
120.20161	0.1
121.06637	0.2
123.00854	0.2
123.04557	0.3
125.06108	0.5
134.07368	0.3
135.04536	0.3
135.08185	0.3
136.05281	0.3
147.08174	1.1
149.06146	0.7
151.04028	0.3
151.07660	1.3
161.09781	0.2
163.04041	1.1
163.07628	1.0
165.05576	0.4
165.09209	0.3
166.06366	3.1
175.11287	0.4
176.04747	0.2
177.05635	0.2
177.12852	13.1
178.10051	0.2
178.13208	0.5
179.07137	0.2
179.10785	0.4
182.05803	0.3
191.07143	13.3
192.07542	0.4
195.49745	0.1
205.08711	0.5
206.09483	20.9
207.09784	0.8
217.27902	0.1
221.11829	100.0
222.12161	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	221.1548
Annotation	(-)-Kobusone
Peak:m/z	Relative Intensity
59.01357	0.2
65.08981	0.1
69.28610	0.3
69.29024	0.6
87.80772	0.1
91.10478	0.1
93.64959	0.1
98.21767	0.3
101.06123	0.1
105.38645	0.1
111.04590	0.2
123.04555	0.2
127.07698	0.6
147.04515	0.1
148.05290	0.4
149.05992	0.5
151.04024	0.2
151.07692	0.6
164.08434	2.0
165.09193	0.4
177.09302	0.2
179.07071	0.2
179.10756	0.1
203.07092	0.2
205.12396	1.7
206.12698	1.0
207.13928	1.5
220.14709	4.1
221.15460	100.0
222.15793	4.1
235.13339	1.3
238.17908	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	223.0285
Annotation	Foetisulfide A
Peak:m/z	Relative Intensity
59.96724	0.9
66.43576	0.2
70.11642	0.5
74.99077	17.6
75.96229	0.9
75.99023	0.3
79.01880	0.2
90.93560	0.2
93.00139	6.4
109.06581	0.2
111.04531	1.5
123.08195	0.3
125.02448	0.3
125.09721	0.2
133.82288	0.1
149.00967	13.3
150.01016	0.2
150.98886	0.7
151.00363	0.3
163.11342	0.2
167.07413	0.2
177.05559	1.0
179.07137	0.4
179.10753	0.7
179.14468	0.2
180.04341	0.3
193.01361	0.2
195.06660	3.2
205.12302	0.2
206.99721	5.2
207.99841	0.5
208.03806	0.2
208.97726	0.3
221.00980	0.2
223.02841	100.0
223.09729	1.8
223.13376	1.4
224.02893	6.5
225.00812	0.4
241.03847	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0287
Annotation	Foetisulfide A
Peak:m/z	Relative Intensity
51.20198	0.9
62.44066	1.0
65.00342	1.1
71.27987	1.2
74.99079	12.9
91.01886	1.2
93.00140	7.2
100.05971	1.4
104.17573	1.2
107.01376	1.5
125.06052	1.3
125.16236	1.1
135.00891	1.3
149.00966	9.8
151.00368	1.9
151.03960	1.6
178.99881	1.8
179.10786	3.0
190.33838	1.5
194.99385	1.5
206.99710	4.6
223.02841	100.0
223.09825	8.4
223.13431	9.9
224.02858	5.7
241.03912	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	223.0462
Annotation	Nifuradene
Peak:m/z	Relative Intensity
53.03965	0.2
55.01879	1.9
56.99846	0.1
57.03455	4.0
58.00616	0.1
59.01384	2.0
67.01878	0.5
68.99814	0.1
69.03456	3.2
71.01385	4.1
71.05066	0.1
71.26381	0.1
71.26748	0.1
72.99314	50.0
73.02950	1.9
73.99650	0.3
75.00880	7.9
78.95905	0.9
79.01907	0.2
81.03464	24.0
82.03802	0.5
83.01387	0.8
84.02169	0.2
85.02958	40.6
86.03290	0.6
86.39044	0.1
87.00881	5.5
87.04546	0.2
89.02456	0.4
95.01407	0.3
96.96968	0.2
97.02968	3.1
99.00890	27.5
99.04532	0.6
100.01237	0.3
101.02460	1.1
103.00404	0.1
111.00921	0.2
113.02461	10.2
114.02797	0.2
115.04029	0.7
117.01952	7.1
118.56319	0.1
125.02460	76.7
126.02785	1.6
128.64500	0.1
129.01955	93.1
130.02289	1.5
131.03519	2.6
141.01959	0.3
143.03513	10.2
144.03867	0.2
147.03009	37.0
148.03342	0.6
159.02982	1.2
161.04575	3.3
169.01445	2.8
170.58807	0.1
177.04079	0.5
179.05620	0.2
187.02385	0.5
187.09300	0.1
187.78380	0.1
205.03545	42.5
206.03899	1.0
213.12083	0.1
223.04604	100.0
224.04926	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	223.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	1.0
55.02073	0.3
57.03401	0.8
59.01336	0.4
63.74982	0.2
65.00323	1.2
67.01871	0.4
67.05484	0.8
68.99815	1.2
69.03424	0.3
69.18135	1.5
71.05030	3.8
73.02911	0.5
77.03934	1.1
79.01900	5.7
81.03422	1.0
83.01344	0.7
83.05009	0.6
85.06588	0.4
88.39359	0.2
91.23267	0.3
93.03448	0.7
95.05032	15.9
96.99320	0.3
97.02370	0.4
97.02957	5.5
99.08151	2.4
101.06082	1.4
103.93022	0.2
107.01373	0.3
109.02943	0.6
109.06583	0.7
111.04529	62.9
112.04889	1.4
113.09727	0.4
119.08656	0.4
120.95108	0.3
121.02967	3.5
121.06598	1.1
122.03757	1.1
123.08175	10.2
124.01703	0.3
124.98842	0.3
125.02451	2.1
125.06094	9.4
128.01158	0.4
133.06592	0.5
135.04555	0.7
135.08185	0.7
136.05341	1.2
136.86543	0.3
137.02428	0.7
137.06120	0.5
137.09735	5.3
137.10699	0.4
138.03206	0.6
139.04024	16.9
142.43224	0.2
149.06061	0.5
150.06876	0.4
151.00444	0.4
151.04106	0.2
151.07619	1.5
153.01968	0.3
153.05539	0.2
155.10820	0.9
159.04529	0.3
161.09720	1.5
162.03244	0.3
163.07655	0.3
164.08496	1.0
165.01936	5.3
165.03247	0.4
166.02715	1.7
167.07167	1.4
170.02402	0.3
176.98293	0.3
177.05626	1.8
177.09215	1.4
178.99945	0.7
179.03571	0.9
179.10783	51.2
180.11090	2.0
195.06625	6.4
205.05104	1.5
205.08693	3.3
205.10342	0.3
206.02322	0.5
208.03796	0.3
221.04568	4.2
221.08112	0.2
223.06390	19.9
223.09755	100.0
224.06746	0.7
224.10127	3.5
224.11993	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	1.0
55.02073	0.3
57.03401	0.8
59.01336	0.4
63.74982	0.2
65.00323	1.2
67.01871	0.4
67.05484	0.8
68.99815	1.2
69.03424	0.3
69.18135	1.5
71.05030	3.8
73.02911	0.5
77.03934	1.1
79.01900	5.7
81.03422	1.0
83.01344	0.7
83.05009	0.6
85.06588	0.4
88.39359	0.2
91.23267	0.3
93.03448	0.7
95.05032	15.9
96.99320	0.3
97.02370	0.4
97.02957	5.5
99.08151	2.4
101.06082	1.4
103.93022	0.2
107.01373	0.3
109.02943	0.6
109.06583	0.7
111.04529	62.9
112.04889	1.4
113.09727	0.4
119.08656	0.4
120.95108	0.3
121.02967	3.5
121.06598	1.1
122.03757	1.1
123.08175	10.2
124.01703	0.3
124.98842	0.3
125.02451	2.1
125.06094	9.4
128.01158	0.4
133.06592	0.5
135.04555	0.7
135.08185	0.7
136.05341	1.2
136.86543	0.3
137.02428	0.7
137.06120	0.5
137.09735	5.3
137.10699	0.4
138.03206	0.6
139.04024	16.9
142.43224	0.2
149.06061	0.5
150.06876	0.4
151.00444	0.4
151.04106	0.2
151.07619	1.5
153.01968	0.3
153.05539	0.2
155.10820	0.9
159.04529	0.3
161.09720	1.5
162.03244	0.3
163.07655	0.3
164.08496	1.0
165.01936	5.3
165.03247	0.4
166.02715	1.7
167.07167	1.4
170.02402	0.3
176.98293	0.3
177.05626	1.8
177.09215	1.4
178.99945	0.7
179.03571	0.9
179.10783	51.2
180.11090	2.0
195.06625	6.4
205.05104	1.5
205.08693	3.3
205.10342	0.3
206.02322	0.5
208.03796	0.3
221.04568	4.2
221.08112	0.2
223.06390	19.9
223.09755	100.0
224.06746	0.7
224.10127	3.5
224.11993	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0614
Annotation	Eutypellin A
Peak:m/z	Relative Intensity
52.83513	0.4
55.01881	2.4
59.01372	0.6
68.48056	0.4
70.13486	0.9
70.13846	0.9
79.01903	4.9
93.03450	0.6
95.01388	0.7
95.05025	3.5
96.00860	0.4
97.02949	1.4
107.05030	0.6
109.02943	1.0
111.00916	2.4
111.04530	6.3
121.02965	0.9
121.06612	0.6
123.08183	9.7
124.01661	4.0
125.02460	11.4
125.06086	1.3
125.28340	0.4
133.06584	0.9
135.08142	0.7
136.01672	0.5
136.05318	1.1
137.02457	1.4
137.09746	1.1
139.04031	3.5
149.02345	0.5
149.06104	1.2
151.00392	6.3
151.04008	1.7
151.07617	1.4
152.01135	0.8
152.04779	3.2
153.01947	3.6
154.02734	1.6
159.04486	0.8
161.09808	0.4
163.04037	0.5
164.04800	1.0
165.01933	1.1
166.06409	1.0
177.05579	28.6
178.05945	0.8
178.99828	0.6
179.07185	3.1
179.10799	9.3
180.00647	1.7
180.04301	4.2
181.01434	1.4
181.05066	1.7
182.02225	5.6
184.03798	2.2
185.04211	0.4
189.98634	0.4
193.01318	0.6
195.06638	100.0
196.06981	3.1
205.05031	0.9
208.03804	0.8
209.04417	0.6
223.06142	59.5
223.09645	20.6
223.13297	8.5
224.06885	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0614
Annotation	Spiromassaritone
Peak:m/z	Relative Intensity
52.49227	0.3
55.51440	0.3
56.23312	0.2
57.03439	0.4
65.00330	3.1
67.01902	1.4
68.99818	5.5
69.20062	0.5
69.20461	1.5
79.01889	0.5
81.03479	2.1
83.01392	0.9
85.06608	2.4
87.04507	0.5
89.00352	0.4
95.05032	0.8
97.02967	0.4
107.01390	0.6
107.05057	0.4
109.02946	0.9
109.06598	3.3
111.00871	0.8
111.04533	15.5
112.04911	0.4
115.89310	0.3
117.03735	0.3
121.03014	0.4
124.01673	1.4
125.02450	0.9
125.06062	0.9
127.07632	0.5
131.04990	0.4
133.06602	3.4
135.00909	0.5
135.04544	2.5
136.05261	0.5
137.02547	0.3
137.06084	0.5
137.09737	0.5
139.04002	0.8
149.06100	0.9
151.00397	0.7
151.07672	7.6
152.01152	1.4
153.01938	1.5
153.05547	2.1
159.04558	1.4
161.06099	0.5
162.03233	1.2
165.01935	0.8
176.98343	0.9
177.05591	7.0
178.05942	0.3
178.99863	4.2
179.03502	3.8
179.07158	2.9
179.10704	2.2
195.06635	8.0
203.03542	1.6
205.01590	0.3
205.03267	0.6
205.05078	7.7
206.02229	3.8
206.05286	0.4
208.03822	0.5
221.04570	32.2
222.04999	1.3
223.06131	100.0
223.09738	5.8
224.06470	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	223.0614
Annotation	Eutypellin A
Peak:m/z	Relative Intensity
50.90808	0.5
55.01880	1.6
63.37981	0.5
67.05506	0.8
69.08699	4.6
69.47035	0.6
79.01897	4.0
109.06606	0.8
111.00900	3.0
111.04530	44.7
112.04868	0.7
123.00909	0.7
123.08188	6.9
124.01656	3.2
124.60127	0.6
125.02470	8.8
135.08186	1.0
135.65750	0.5
136.01651	0.6
136.05293	1.6
151.00389	3.5
151.04001	0.9
151.07668	1.5
152.01163	0.7
152.04784	3.0
177.04076	1.3
177.05580	23.2
178.05951	1.1
179.07161	4.0
180.04286	4.1
184.03806	1.8
195.06635	100.0
196.06967	3.9
205.05103	0.7
223.06131	54.8
223.13354	4.0
223.61934	0.6
224.06491	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	7.0
59.98508	6.8
63.04116	3.0
67.05522	8.3
69.03441	3.3
71.29572	5.3
79.95729	7.7
85.02946	4.1
96.18903	2.9
97.02922	3.2
99.04526	68.7
111.04533	20.4
123.04527	6.0
124.05315	20.6
135.04471	4.3
135.11823	21.1
143.02464	3.2
161.09695	26.3
169.02164	3.2
179.10783	100.0
183.00294	7.2
205.08701	7.1
208.03719	5.1
223.02673	8.2
223.06165	6.4
223.09776	86.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0977
Annotation	2,4-Dihydroxy-6-pentylbenzoate
Peak:m/z	Relative Intensity
56.97881	2.5
59.01381	5.8
59.98523	4.8
67.05518	5.6
69.22635	15.2
79.76511	2.4
79.95731	3.4
91.63801	2.3
99.04525	56.9
111.04539	17.5
123.04562	3.4
124.05325	18.6
133.10292	3.9
135.11804	18.1
161.09744	21.2
179.10789	100.0
180.11041	2.9
183.00320	6.7
191.13133	2.5
193.01640	3.3
205.08694	6.5
208.03835	2.8
211.03185	2.9
223.02771	6.8
223.06325	5.1
223.09789	67.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0978
Annotation	2,4-Dihydroxy-6-pentylbenzoate
Peak:m/z	Relative Intensity
51.93198	0.5
55.01879	2.1
62.61037	0.4
65.66064	0.4
69.14484	3.0
73.02956	0.6
74.99091	2.9
78.47485	0.4
79.01900	3.5
85.06602	6.5
87.04501	1.0
91.05525	1.0
93.00103	0.8
97.02972	0.6
99.08121	0.5
103.33749	0.4
107.05020	0.6
109.06602	6.8
110.08470	0.4
111.04527	12.1
123.04550	0.4
123.08176	11.2
133.59482	0.4
133.60521	0.4
134.03613	0.4
135.04514	3.5
137.09766	0.5
149.00948	2.0
151.04005	1.5
152.04805	0.9
152.43381	0.4
153.05595	16.7
161.09756	1.2
162.06886	0.7
166.06401	2.7
167.07109	0.8
177.09232	6.5
179.03563	3.3
179.10788	24.6
180.04272	2.3
180.11169	1.1
195.06564	0.8
195.13910	1.7
203.07190	0.5
205.08665	2.3
206.99706	0.9
221.08255	1.0
223.02852	18.1
223.09767	100.0
224.02797	0.8
224.10075	4.2
241.03775	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63798	0.4
61.18348	0.3
65.00328	0.8
66.19221	0.3
69.31406	0.6
69.31805	1.7
74.99059	0.4
79.31046	0.3
85.06592	3.0
87.04517	6.1
93.23765	0.3
97.02942	0.4
109.02973	0.6
109.06598	20.2
110.06985	0.4
111.04527	7.7
123.08160	0.4
124.01623	0.5
125.02445	0.4
135.04532	0.9
136.05334	0.4
137.09758	0.9
153.05580	3.4
154.05919	0.4
155.10802	0.8
157.19696	0.3
161.09753	1.2
164.08441	1.4
177.05583	1.0
177.12845	0.6
179.03496	1.4
179.10780	54.9
180.11082	2.0
193.01436	0.5
195.06668	3.4
195.13910	1.2
205.08740	1.7
205.12358	0.5
208.07497	0.5
208.69388	0.3
223.02715	1.3
223.06158	2.7
223.09763	100.0
223.13368	5.1
224.10100	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	223.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25812	0.3
55.01874	0.5
57.03442	0.6
59.01371	0.6
64.39289	0.3
65.00327	0.4
69.01624	0.3
69.78187	1.4
71.05029	4.1
73.02920	0.3
74.67754	0.3
77.03967	0.6
79.01900	5.4
81.03423	0.5
83.05029	0.4
84.95941	0.3
88.11929	0.3
93.03449	0.8
95.05033	13.4
96.05370	0.4
97.02956	3.6
99.08150	1.2
99.12706	0.3
101.06074	1.1
109.06623	0.4
119.08673	0.4
121.02965	2.6
121.06613	0.4
122.03725	0.7
123.08174	2.1
125.06097	7.7
128.06635	0.3
135.04524	0.7
135.08176	0.7
136.05290	1.5
137.06148	0.3
137.09734	6.7
139.04025	15.5
140.04416	0.4
142.58286	0.3
151.03928	0.8
155.10706	0.4
161.09712	0.4
162.06813	0.3
164.08447	0.8
165.01933	4.6
166.02687	0.3
166.06276	0.6
171.11241	0.3
176.21640	0.3
177.09177	0.6
179.10786	49.3
180.11096	1.4
181.08681	0.3
190.06224	0.4
195.13934	0.5
205.08713	2.7
221.08209	0.3
223.09773	100.0
223.13370	6.4
224.10138	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	223.0975
Annotation	2,4-Dihydroxy-6-pentylbenzoate
Peak:m/z	Relative Intensity
51.80709	0.5
54.67111	0.5
55.01856	0.6
57.03426	0.6
63.62028	0.5
65.00307	0.6
71.05026	4.3
71.28116	0.4
77.03967	1.3
79.01890	4.7
81.03445	0.6
83.05028	0.7
93.03417	0.8
95.04438	0.9
95.05034	12.5
97.02962	5.3
99.08162	1.3
111.04543	1.7
116.68973	0.4
117.00854	0.5
121.02954	3.7
122.03732	0.9
123.08176	2.7
125.02466	0.8
125.06091	7.8
135.04501	1.4
135.08243	0.6
136.05305	1.6
137.02408	0.6
137.06064	0.9
137.09740	4.9
139.04019	16.5
140.92395	0.4
155.93747	0.5
162.03195	0.6
164.08412	0.8
165.01932	4.4
177.05544	0.6
177.09184	0.5
179.10782	39.1
180.11105	2.1
195.06612	4.4
205.08693	2.9
223.06149	4.1
223.09764	100.0
223.13376	3.1
223.31389	0.5
224.10117	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	223.1342
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
51.63449	1.2
57.03445	2.0
59.01384	5.7
69.03460	11.5
71.05018	2.9
74.99081	1.5
79.01906	1.3
81.03471	1.4
85.06616	2.1
85.72655	1.1
93.03474	1.8
95.05002	2.2
98.21822	3.6
101.91191	1.3
109.06642	2.7
111.04512	3.7
111.26935	1.1
123.08142	2.3
125.02470	2.1
125.09769	1.5
127.83097	1.2
129.49234	1.2
149.09682	1.8
151.04132	1.5
162.17496	1.4
166.06256	1.6
166.51416	1.2
167.10802	11.5
177.05537	3.2
177.12839	2.5
179.07201	1.3
179.10863	6.3
179.14420	11.8
193.01428	1.6
195.06685	10.0
195.13914	34.3
205.12373	20.2
206.12717	1.4
223.02792	3.5
223.06322	6.9
223.10170	11.2
223.13408	100.0
224.13765	3.8
228.79716	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.1655
Annotation	Adalinine
Peak:m/z	Relative Intensity
52.32689	1.1
65.00318	2.5
71.29727	1.2
78.85590	1.1
80.24529	1.0
88.18604	1.0
93.03461	5.1
133.44324	1.1
136.98802	4.0
153.12888	2.5
157.03839	1.8
177.04234	1.2
197.24059	1.0
224.16568	100.0
225.00410	1.5
225.16849	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	225.0769
Annotation	Ampelopyrone
Peak:m/z	Relative Intensity
53.24542	0.8
57.03444	3.1
59.01374	3.1
67.05544	1.2
68.99838	1.0
69.03465	2.2
83.01394	1.4
85.02966	8.5
85.06592	9.7
87.04529	3.5
92.74789	0.8
93.03446	1.0
95.01394	10.4
95.05032	4.1
96.02199	1.1
98.22547	2.1
107.22880	0.9
109.02958	3.0
109.06596	2.6
111.00919	1.8
111.04525	9.7
111.08163	3.1
113.02463	13.7
113.06093	2.4
120.02166	0.8
121.06592	1.5
127.07645	1.8
127.70916	0.9
135.08160	3.2
137.02477	2.2
137.06075	1.5
138.03232	2.8
139.00407	1.8
139.07640	5.4
148.05286	0.9
155.07162	3.3
163.07675	4.0
164.01239	1.2
165.05571	8.7
166.06354	5.7
167.03522	1.7
179.07164	10.2
181.05132	1.7
181.08725	7.8
183.06628	41.3
185.71480	0.9
197.08345	1.0
207.06639	21.0
208.06836	1.1
210.05316	4.5
223.64975	1.1
225.07700	100.0
226.08083	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	225.077
Annotation	Ampelopyrone
Peak:m/z	Relative Intensity
55.01880	0.9
57.03458	4.5
59.01369	3.1
68.99803	1.6
69.03456	5.0
69.51289	3.4
71.77963	0.9
83.01395	3.5
83.05006	1.1
85.02956	22.6
85.06593	3.6
87.04506	2.7
90.36762	1.0
95.01382	7.7
95.05029	6.9
96.02168	3.5
96.36296	1.0
97.06611	4.9
109.02953	7.0
109.06609	1.2
111.00886	1.3
111.04529	27.5
111.08169	9.0
113.02454	52.3
113.06104	7.4
119.05085	1.0
121.06599	2.7
123.00886	3.6
123.04504	1.8
124.05261	1.4
137.02467	10.5
137.06055	3.6
138.03221	7.2
139.00339	1.1
139.07645	13.5
141.05557	3.8
151.04015	2.1
155.03525	1.6
155.07147	4.2
157.55428	1.2
163.07628	1.1
164.01146	1.3
164.04773	1.1
165.05583	31.0
166.06380	18.4
167.03488	9.2
179.07111	3.0
181.05119	6.0
181.08728	7.6
183.06635	43.2
193.01762	1.0
206.49710	1.0
207.06670	9.0
223.38466	0.9
225.07687	100.0
226.08081	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65826	0.6
59.01383	19.8
62.84102	0.6
69.71307	0.6
71.28123	0.8
77.74059	0.6
79.95737	3.1
80.96526	0.9
81.03460	1.0
84.50720	0.6
85.02966	1.4
93.03455	8.4
95.01408	0.9
96.96017	29.9
109.02965	3.9
121.02963	9.7
123.00874	1.1
135.04539	1.5
136.99144	2.2
137.02455	30.0
137.09683	0.7
138.03224	1.2
138.97084	2.4
147.08163	0.9
151.04041	0.9
153.05580	1.0
165.01938	97.7
166.02271	2.8
166.06357	16.0
179.03543	2.3
180.04289	100.0
181.04678	3.3
181.06422	1.0
181.08766	1.7
195.02998	38.0
195.06628	84.7
196.03366	1.4
196.06947	3.0
210.05348	54.3
211.05687	1.9
225.00687	17.5
225.05676	3.2
225.07686	41.7
225.11005	5.2
226.07997	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58472	0.5
59.01379	21.9
65.07140	0.5
66.91741	0.5
71.10509	0.8
78.34419	0.5
81.03458	0.7
83.05000	0.5
93.03460	2.9
95.01409	4.9
96.96014	0.5
97.02956	0.8
97.06609	1.2
104.80066	0.5
107.72897	0.4
108.02186	1.1
111.00879	1.0
123.00893	28.2
124.01704	0.8
125.02455	3.8
137.02444	1.6
138.03252	1.6
139.00372	2.0
149.02457	1.8
151.00378	10.6
151.03958	0.6
152.01184	5.1
153.02000	2.4
153.05579	0.9
164.04713	0.9
165.02003	0.8
165.09232	1.1
166.02742	0.7
166.99986	0.6
167.03528	2.2
169.01376	0.7
177.01967	3.3
181.05084	0.9
192.04311	1.3
193.81107	0.6
195.02992	72.9
196.03319	2.0
207.06662	1.2
209.04570	1.8
210.05345	100.0
211.05676	3.0
225.07695	46.8
225.10970	5.1
226.08072	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.9
61.91384	0.3
61.98808	0.3
65.00321	0.4
65.44400	0.3
67.01907	1.0
71.29756	0.4
74.41756	0.2
75.34776	0.3
81.03464	1.5
83.01403	0.7
85.02984	0.3
91.01888	0.4
93.03479	0.8
106.19411	0.2
109.02959	0.9
113.06075	1.3
119.05039	1.1
122.03734	0.9
123.04543	0.6
124.01650	0.5
131.05051	2.0
136.01732	0.3
136.98828	0.6
137.01472	0.3
137.02449	1.2
138.03224	1.1
139.01593	0.3
147.04483	0.3
149.02428	0.7
149.06088	1.4
150.03232	2.8
151.03966	0.9
152.04793	1.0
153.05576	0.7
163.04016	0.3
163.07680	1.9
164.01155	0.4
164.04807	16.0
165.01936	1.0
165.05583	8.8
166.02664	0.4
166.05901	0.3
177.01944	4.2
179.03517	7.5
180.04294	33.1
181.04617	1.3
181.12395	0.3
183.06615	0.7
184.56218	0.3
189.05539	0.4
191.03516	12.1
192.04295	31.1
193.04843	1.6
195.03040	0.4
195.06624	3.5
196.03853	0.5
207.06635	83.0
208.06973	3.1
209.04561	0.3
210.05330	0.8
212.03261	0.6
223.06125	1.2
225.07693	100.0
226.08069	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62200	0.1
57.03443	0.4
59.01383	100.0
60.01707	0.9
69.03454	0.4
69.26257	1.2
81.03465	0.8
83.05029	0.2
93.03471	0.5
95.05048	0.6
97.06592	3.7
108.02187	0.2
109.06612	0.5
117.69559	0.2
119.05051	0.3
135.08162	1.8
137.02452	0.6
147.08167	4.1
150.34422	0.2
151.02408	0.2
151.04013	0.4
151.11365	0.4
152.42143	0.2
163.11276	0.5
165.01930	0.7
165.09222	1.6
180.04292	0.3
181.12329	0.6
195.06668	0.6
207.06667	0.3
207.10265	0.6
210.05496	0.2
221.78888	0.2
225.07733	0.8
225.11322	26.1
226.11667	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1134
Annotation	Phomolide B
Peak:m/z	Relative Intensity
51.50346	1.2
57.03444	3.6
59.01390	7.7
63.31053	1.2
65.00320	4.0
71.05011	4.4
71.28150	2.0
75.18269	1.3
76.04735	1.3
83.01411	1.6
83.05011	1.2
85.02957	48.7
85.06595	93.2
87.00871	3.1
87.04523	19.1
93.03465	6.0
93.43069	1.3
95.01378	2.6
95.05058	3.5
97.02952	2.3
99.04524	4.6
99.08165	5.5
109.02957	1.9
109.06576	4.7
111.00906	2.1
111.04525	28.4
111.08141	1.8
113.02456	2.3
113.06110	12.0
125.02460	4.5
125.06107	2.0
127.07679	7.6
135.83604	1.3
136.98822	4.0
137.02431	2.1
137.06116	6.1
139.04018	53.9
140.04369	1.4
141.05583	13.0
141.09229	4.3
153.05580	3.3
153.12823	1.9
155.07162	35.0
155.10793	90.5
156.07387	1.5
156.11130	2.7
163.11308	2.6
165.01904	1.5
165.05586	2.7
166.06319	2.7
169.08736	4.5
177.09164	3.6
179.07191	3.5
181.12363	3.2
183.06638	13.0
192.11568	2.4
197.11809	8.7
207.06691	8.2
207.10275	22.8
207.13901	40.2
208.14168	1.6
210.05423	2.3
225.00381	2.6
225.07869	25.7
225.11334	100.0
225.14690	14.2
226.11612	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	225.1134
Annotation	Phomolide B
Peak:m/z	Relative Intensity
57.03444	1.0
59.01380	6.0
69.03443	1.1
71.05019	1.2
71.28310	0.8
81.03455	1.8
81.89649	0.8
83.05007	1.5
84.02163	1.3
93.03470	1.0
95.01385	0.9
95.05036	0.7
95.20129	0.8
97.02969	9.6
97.06595	1.4
99.00903	0.9
109.02937	0.8
109.06588	14.5
110.03744	4.1
111.04533	1.8
113.02448	1.0
116.14001	0.7
118.25960	0.7
121.06624	1.5
121.82735	0.7
125.09689	1.0
135.08156	3.0
136.05289	2.1
136.98790	0.9
137.06004	0.9
138.03210	1.4
141.12860	3.6
142.02757	4.4
153.09099	0.8
153.12729	0.7
161.09683	0.8
161.43991	0.8
163.11307	13.2
165.01949	1.3
165.05467	0.9
166.02751	0.9
179.07104	1.8
179.10805	1.0
180.04337	0.9
181.05058	2.3
181.08742	1.2
181.12360	14.9
183.06615	5.1
184.52956	0.7
186.82381	0.8
197.11771	0.9
207.06902	2.0
207.10277	66.0
208.10611	3.0
225.08032	10.6
225.11327	100.0
225.14957	3.7
226.11662	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	225.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14006	0.5
59.01385	100.0
59.53133	0.5
61.51126	0.6
62.53757	0.5
73.36942	0.5
81.03478	0.9
85.08207	0.6
89.48969	0.5
93.03463	3.9
95.01417	1.6
97.02970	0.7
97.06590	3.5
119.05119	0.6
123.00901	9.8
125.02466	1.9
135.08185	1.8
137.02434	1.0
139.00380	0.7
147.08182	3.6
149.02455	1.0
151.00369	3.9
152.01141	1.8
153.01971	0.6
164.04854	0.8
165.09174	1.2
167.03540	1.2
169.01457	1.0
177.01953	0.7
180.73128	0.5
181.12376	1.1
186.73166	0.5
187.31177	0.6
195.03004	25.5
196.03357	0.9
210.05356	36.6
211.05739	0.8
225.07758	16.8
225.11305	26.6
226.11644	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1133
Annotation	Phomolide B
Peak:m/z	Relative Intensity
55.01874	0.8
57.03454	0.8
59.01384	5.4
59.39369	0.8
62.48375	0.7
65.36506	0.7
65.95477	0.7
81.03459	1.9
83.05005	2.1
84.25286	0.8
85.02939	0.9
86.80173	0.8
93.03440	1.1
95.01385	1.0
95.04992	1.1
97.02950	9.7
99.00872	1.8
101.44408	0.7
106.04191	0.8
107.05013	0.8
109.06597	17.4
110.03744	5.0
111.04507	2.0
113.02439	1.7
113.92980	0.8
123.04525	0.9
135.08147	3.4
136.05273	2.0
136.98769	1.0
137.02440	1.2
138.03224	1.4
139.07700	1.0
141.12880	1.3
142.02711	5.0
153.05551	0.8
161.09717	1.8
163.07605	1.2
163.11284	15.9
165.01913	1.1
165.05548	1.0
166.02705	1.5
179.07135	1.5
180.04199	0.8
181.05009	2.6
181.08786	1.0
181.12358	15.4
182.12688	1.4
183.06609	3.6
197.11786	0.8
207.06616	2.5
207.10271	77.1
208.10609	3.1
225.08032	9.4
225.11320	100.0
225.14969	3.5
226.11655	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	225.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	15.8
61.98838	8.6
62.01906	3.8
62.78499	3.2
65.00335	4.6
68.31710	3.4
70.57841	7.0
70.58175	6.8
81.86658	3.1
91.02601	3.5
93.03474	14.3
136.98811	12.8
137.02458	5.5
165.12875	34.2
180.04280	4.1
181.01437	3.7
181.16090	16.2
181.17455	3.5
197.06090	6.2
206.99397	4.4
207.13936	35.9
225.00494	5.5
225.05681	3.8
225.11374	7.7
225.14989	100.0
226.15417	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	225.1609
Annotation	1,8-Diazacyclotetradecane-2,9-dione
Peak:m/z	Relative Intensity
52.46608	0.5
52.86264	0.6
59.01376	2.0
69.44743	3.0
72.99310	1.0
74.39214	0.5
80.05064	1.1
81.03461	18.2
83.05032	90.7
84.05367	2.0
93.03468	3.0
96.96020	14.5
98.21758	0.7
99.08183	0.8
107.05043	0.7
107.06207	0.9
108.04583	1.2
109.02966	1.0
112.07495	0.5
119.05028	5.0
121.02935	0.8
123.04541	0.9
125.07201	3.9
135.04552	1.4
137.02452	1.2
143.08273	3.4
145.08711	8.4
150.03204	1.0
151.04095	0.8
153.02019	0.7
163.04022	2.4
164.04800	3.1
165.01950	1.4
165.05556	2.5
179.03641	0.6
180.04286	0.8
181.05084	1.7
181.06651	0.7
192.04276	1.1
195.03009	1.2
195.06656	0.7
196.03821	2.6
207.06627	10.5
207.15002	10.1
208.15506	0.5
210.05383	1.6
223.81885	0.5
225.04259	12.7
225.07602	6.5
225.16096	100.0
226.16382	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	227.0716
Annotation	3,7-Dihydroxy-1,9-dimethyldibenzofuran
Peak:m/z	Relative Intensity
66.87300	0.2
69.10016	1.5
69.10423	0.5
82.61991	0.2
92.43784	0.3
98.22495	0.4
115.57447	0.3
115.96810	0.3
119.59877	0.2
157.06624	0.6
165.12831	1.1
171.08163	0.6
181.06612	0.3
183.04500	0.3
183.13896	4.7
183.15536	0.2
184.05232	1.3
199.07709	1.3
209.00798	0.3
209.11900	0.4
211.04083	0.3
212.04807	14.5
213.05113	0.4
226.03975	0.3
226.06372	28.0
227.07138	100.0
228.07466	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	227.0716
Annotation	cis-Resveratrol
Peak:m/z	Relative Intensity
50.41177	0.5
67.72382	0.4
68.55624	0.4
69.02374	0.7
69.02776	2.9
72.32671	0.4
76.27166	0.4
80.31348	0.5
98.22549	1.0
115.05576	0.6
117.03473	1.5
119.05033	2.0
127.16582	0.4
139.11293	0.9
141.07098	1.8
143.05040	23.5
145.02939	0.8
157.06581	3.4
159.08174	5.0
171.58522	0.4
181.06554	2.2
182.07365	3.3
183.04593	0.7
183.08160	7.2
184.05309	0.6
185.06084	23.6
186.06483	0.7
209.11665	0.8
210.01244	0.4
225.05600	1.1
226.05948	1.0
227.07155	100.0
227.12968	1.6
227.20174	1.0
228.07474	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	227.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81518	0.7
57.73450	0.6
59.01397	0.7
61.23805	0.5
68.79436	0.7
69.96228	1.8
81.03455	1.6
98.22496	0.8
101.06104	1.4
102.57684	0.7
109.02966	16.5
123.04521	1.0
125.02474	2.9
125.06094	1.0
126.81285	0.7
127.07657	5.8
133.36832	0.6
137.02457	100.0
138.02779	1.9
151.04053	1.1
152.04813	25.3
153.05104	0.9
154.02737	1.2
163.80029	0.6
165.09200	1.2
166.02721	0.9
167.03609	0.8
167.07256	0.6
167.43962	0.6
171.06601	0.6
180.99464	0.6
181.08893	0.8
183.04544	0.9
183.10233	0.7
184.03772	9.3
184.05263	1.0
197.04558	10.2
197.06200	1.0
198.04929	0.6
209.08211	1.7
212.06918	72.2
212.40228	0.6
213.07251	2.5
227.03629	1.2
227.07170	4.2
227.09244	34.1
227.20108	1.0
228.09631	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0926
Annotation	Decarestrictin E
Peak:m/z	Relative Intensity
51.30572	0.5
57.03428	1.1
59.01378	1.2
69.03474	3.3
69.51469	2.6
71.01376	2.2
71.05032	1.3
72.99318	5.6
73.02948	4.5
81.03439	2.2
83.01402	0.8
83.05006	1.8
85.02956	18.0
87.00879	16.2
87.04527	1.0
97.02955	2.7
99.04512	8.0
99.08171	1.6
100.40195	0.6
101.02447	7.0
101.06091	7.5
102.66032	0.5
109.06624	1.4
111.04515	0.6
111.08160	2.7
123.08141	1.0
124.01669	1.3
125.02451	4.3
125.06084	7.0
125.09766	1.2
127.07664	3.3
137.02443	0.9
139.07649	2.6
141.09227	0.7
143.03510	3.3
155.07121	2.6
157.08694	1.8
165.09198	0.9
167.03487	0.9
167.07156	4.1
169.08691	8.7
181.08754	1.1
183.06638	0.8
209.08218	5.1
212.07010	0.8
227.09254	100.0
227.20218	1.8
228.09528	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	227.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42201	0.6
52.97562	0.6
57.03462	0.6
59.01376	0.9
64.16855	0.6
69.38688	3.5
81.03471	1.4
85.02945	1.1
97.06563	0.8
97.82866	0.7
98.17233	0.6
101.06063	1.3
109.02962	17.9
111.54684	0.7
118.47823	0.6
125.02467	3.8
125.06125	1.7
127.07665	8.8
137.02455	100.0
138.02805	2.7
148.93507	0.7
151.00424	0.7
151.04033	1.0
152.04799	25.9
165.09232	1.6
165.27463	0.6
166.02727	1.3
167.03459	0.8
171.06584	1.0
183.04558	1.0
183.06665	0.8
183.10342	1.3
184.03754	12.9
184.05228	0.8
197.04552	10.6
197.06200	1.1
199.07689	1.6
209.08257	4.2
211.04051	0.8
212.05147	2.7
212.06914	75.4
213.07246	2.4
227.03452	2.5
227.07169	5.2
227.09230	38.2
227.20192	2.2
228.09697	0.9
246.03780	0.8
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	Unknow
Peak:m/z	Relative Intensity
50.77944	0.5
71.29320	0.8
72.99310	100.0
73.99644	1.0
75.00874	2.1
95.05066	0.6
97.03013	0.5
114.81100	0.5
115.35066	0.5
124.01681	1.2
125.06071	0.7
136.12727	0.6
137.02429	2.3
137.06166	0.6
138.06871	2.4
139.07661	5.1
139.11295	0.7
151.00447	0.6
151.07642	4.5
152.04799	1.0
152.08467	3.8
153.09167	1.9
165.09241	5.5
183.10216	0.5
183.13791	0.9
209.08194	3.2
212.06877	1.1
212.47665	0.5
227.03590	1.3
227.09254	32.2
227.20181	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1291
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
57.03458	0.5
59.01387	0.2
61.27714	0.2
70.73370	0.2
70.74759	0.3
73.17077	0.2
73.63005	0.2
83.05091	0.2
98.55994	0.2
105.81825	0.2
111.08188	0.8
139.11360	0.2
151.50026	0.2
165.12857	19.3
165.22975	0.2
166.02129	0.2
166.13208	0.6
181.12357	0.3
183.13910	100.0
184.14268	3.2
188.61435	0.2
191.10831	0.4
209.11858	1.7
227.01253	0.2
227.12891	15.5
227.20068	0.4
228.13234	0.7
232.08339	0.2
233.30400	0.2
244.88170	0.2
244.90907	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.129
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
54.81529	0.4
63.01876	0.4
70.40891	1.0
71.01369	0.4
71.05011	1.0
80.02681	2.6
81.03445	2.0
83.05038	6.9
84.02177	3.5
94.26081	0.4
95.05016	0.8
97.06579	0.6
109.06625	0.6
111.08197	0.4
125.06111	0.8
126.94204	0.4
128.24170	0.4
135.08188	1.1
147.11815	0.7
163.11308	6.1
165.12878	3.5
181.12405	0.8
191.10770	1.7
209.11848	100.0
210.12209	3.8
227.12924	2.9
230.39600	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1292
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
57.03453	0.7
62.46918	0.4
71.05014	1.2
71.28673	0.6
80.02690	2.4
81.03457	1.7
83.05038	7.8
84.02157	3.3
95.05031	0.9
97.06596	1.0
121.18935	0.5
125.06113	1.2
135.08208	1.2
135.77615	0.5
163.11295	5.4
165.12866	4.2
181.12416	1.0
183.00578	0.7
191.10793	1.5
191.55060	0.6
199.13426	1.8
209.11842	100.0
210.12180	4.5
227.12885	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	229.0205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	5.7
62.90224	0.7
65.09863	0.8
68.97581	0.9
71.01387	10.8
72.99306	3.2
83.05019	0.8
87.00892	4.3
91.97101	0.7
99.03048	3.1
99.92549	0.9
101.00960	21.3
102.01082	0.9
113.00974	1.5
115.00348	0.8
115.02518	6.8
117.00463	3.2
125.00953	8.3
126.98887	14.9
127.02524	1.8
131.02017	2.4
143.02017	100.0
144.02138	4.6
147.03044	1.6
155.02007	3.9
156.99942	0.8
157.03575	9.0
159.01489	1.4
161.91992	0.8
168.99944	45.1
170.00137	2.4
171.01546	0.9
196.99330	1.3
216.20415	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0871
Annotation	Diorcinol
Peak:m/z	Relative Intensity
54.47453	0.6
66.16337	0.6
69.50316	0.5
79.05535	4.7
81.03458	3.2
98.21761	0.9
101.06439	0.6
103.45927	0.6
105.03462	5.3
122.03730	2.7
123.04534	61.6
124.04862	1.4
146.27029	0.6
147.04544	4.7
149.97786	0.5
157.80217	0.6
170.88318	0.9
185.09679	2.2
187.07655	6.7
229.08704	100.0
230.09035	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	229.1446
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
50.49068	0.4
62.42474	0.5
71.05014	0.5
77.80804	0.5
79.53293	0.5
98.21768	1.4
135.46156	0.5
139.64963	0.5
165.12846	1.4
167.14426	42.8
168.14767	1.2
173.39136	0.5
185.15439	1.3
211.13405	54.4
212.13799	1.4
229.14449	100.0
230.14722	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	229.181
Annotation	O-11
Peak:m/z	Relative Intensity
61.54902	0.4
68.17295	0.4
71.27923	0.8
86.58761	0.6
183.17535	4.7
207.01759	0.4
211.13498	0.5
211.17030	2.7
227.16600	1.0
229.02570	0.5
229.04581	0.7
229.14806	6.7
229.18092	100.0
230.18460	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	231.0875
Annotation	Jioglutin C
Peak:m/z	Relative Intensity
51.20297	0.6
56.68377	0.6
59.01336	0.6
69.68634	1.7
69.71588	0.6
75.98636	0.5
79.95741	6.6
80.02649	3.0
81.03459	0.7
83.05013	1.8
85.02976	0.7
95.05035	1.7
97.06592	2.6
123.04547	0.7
123.08174	39.9
125.09734	41.3
126.10056	0.8
143.10791	8.3
151.02209	0.7
151.04012	1.1
151.07663	19.2
152.01143	1.1
152.07986	0.6
169.08713	62.8
170.09065	1.9
178.99861	1.5
184.35619	0.6
187.09732	6.3
191.00047	8.1
210.91005	0.6
213.07675	2.3
228.11343	0.7
231.08739	100.0
232.08997	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	231.1602
Annotation	SCHEMBL4748090
Peak:m/z	Relative Intensity
50.10030	0.4
56.28360	0.3
57.03447	1.4
59.91268	0.4
70.46657	1.0
87.04546	0.5
98.21883	0.5
125.09706	0.4
127.11313	2.3
148.48239	0.4
155.14450	0.5
171.10254	4.9
183.13896	0.5
185.15440	0.5
195.13896	0.5
213.14986	5.3
229.14395	3.0
231.16016	100.0
232.16364	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	232.9762
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15521	0.4
51.33464	0.4
59.01384	2.3
70.12541	0.3
70.91383	0.6
79.95742	2.2
81.03471	0.6
85.41785	0.4
96.96017	7.8
98.22447	0.4
108.02174	2.0
109.02958	77.8
110.03288	1.7
136.65152	0.4
146.85316	0.5
153.01949	100.0
154.02269	2.5
181.02466	0.4
188.98604	3.2
203.52322	0.4
232.97623	23.4
233.15297	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0303
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82233	5.5
59.01374	53.2
67.94501	5.6
69.03455	8.0
70.61951	12.7
71.01385	33.4
72.99331	17.0
81.03461	8.0
83.01374	8.4
83.05056	7.8
85.02950	13.4
87.00871	10.2
92.05038	32.7
96.96045	13.9
96.96955	7.8
97.02945	13.2
99.00879	15.5
100.04066	12.1
108.02207	9.3
109.02975	17.4
111.00900	10.7
129.01967	18.6
135.00906	12.4
143.03477	18.4
145.00861	23.7
153.01904	14.6
171.06680	7.6
173.04570	6.5
188.99806	14.8
189.07661	6.2
214.96529	27.6
227.16827	7.3
232.99065	8.6
233.06642	59.9
233.15475	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	233.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.4
65.00343	0.3
71.28218	0.5
77.03971	2.5
79.01910	0.9
79.16975	0.3
85.06592	0.7
93.03467	0.3
109.06644	0.6
111.04530	1.3
119.05038	0.5
121.02947	1.2
128.47467	0.3
130.84987	0.3
134.92319	0.3
135.04518	0.4
136.91296	0.3
145.03009	0.3
147.08189	0.3
161.02386	0.3
162.03238	0.3
163.03999	1.1
165.28746	0.3
173.06058	0.7
175.04045	1.4
189.05511	0.4
189.09200	0.9
190.02707	0.6
203.03497	0.4
217.05055	16.7
218.05830	19.4
219.06259	0.9
233.08192	100.0
233.15468	13.3
234.08507	4.2
234.15668	0.4
250.04865	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.082
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70967	0.2
51.86219	0.2
59.01369	0.9
63.28238	0.2
65.00343	0.3
73.11811	0.2
75.00862	0.2
77.03965	1.5
79.01894	0.6
109.06593	0.4
111.04532	1.4
119.05044	0.3
121.02945	0.3
133.06615	0.2
135.04518	0.4
147.08191	1.1
162.03226	0.4
163.00368	0.3
163.03976	0.6
165.01929	0.2
173.06053	0.3
175.04037	1.3
189.02055	0.2
189.05579	0.6
189.09200	1.3
189.12892	0.3
190.02704	0.8
203.03479	0.4
217.05058	24.0
218.05843	24.6
219.06120	0.7
233.08194	100.0
233.15469	13.7
234.08543	4.5
234.15823	0.7
250.04840	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22035	0.5
60.97500	0.7
69.27221	1.3
69.27643	1.6
74.99071	8.0
75.81831	0.4
89.69639	0.4
91.02214	0.7
91.54365	0.4
93.00149	3.2
93.03496	0.4
118.96332	1.0
134.73454	0.4
134.99406	8.2
136.97343	1.6
143.05318	0.8
149.00966	76.9
150.00897	2.4
150.98889	1.5
159.08499	1.6
161.06400	3.7
201.04156	0.6
213.64430	0.4
215.05640	1.5
217.07214	100.0
218.07396	4.9
233.10347	85.9
233.15335	10.4
234.10527	4.2
234.15862	0.6
249.88889	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.0985
Annotation	CHEBI:133389
Peak:m/z	Relative Intensity
55.70233	0.4
56.71380	0.4
59.01375	1.9
71.01389	0.8
71.05022	13.8
71.27828	0.7
72.00909	1.8
72.99300	0.8
78.63640	0.5
78.95918	0.5
86.02489	6.7
87.00883	3.4
99.04523	3.2
104.03545	100.0
105.03862	1.0
105.24706	0.4
105.47864	0.5
115.07615	1.0
116.07177	1.0
118.90151	0.5
127.05551	0.5
129.05589	1.0
132.03062	2.6
146.08238	10.8
147.06641	0.7
158.08240	1.3
163.10655	0.5
163.34894	0.5
178.38670	0.4
185.68184	0.5
188.09294	7.2
205.08731	0.7
205.10976	0.5
216.08905	0.6
217.10753	0.9
234.09824	74.0
234.15794	3.1
235.10028	1.6
235.11839	1.7
235.13467	1.7
240.48601	0.5
247.07939	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0611
Annotation	5,6,7-Trimethoxycoumarin
Peak:m/z	Relative Intensity
50.67353	0.4
51.05332	0.4
59.16639	0.4
67.05492	0.4
68.99820	0.8
69.08818	1.6
69.09239	1.6
76.03188	0.5
77.03958	1.2
79.01897	16.3
94.70251	0.4
95.05044	1.1
97.02947	0.5
98.22555	0.8
103.01885	2.3
105.03473	2.2
105.07105	0.6
107.05020	0.8
111.04528	47.7
111.94578	0.4
112.04860	0.9
119.05026	0.6
120.05931	0.5
121.02937	0.8
121.06631	0.5
123.08154	2.5
129.07112	0.6
135.04538	4.5
145.06610	2.1
147.08168	21.4
148.05289	0.4
149.02451	0.7
149.06104	4.4
151.03998	0.9
163.07661	1.9
164.04807	0.6
165.01909	0.5
165.05612	0.6
167.07150	1.2
173.06044	2.4
175.03954	2.5
176.04753	2.3
177.01967	2.0
177.05438	0.5
179.07173	1.1
181.43893	0.4
189.05525	0.7
190.99907	1.1
191.03586	0.7
191.07146	10.4
191.10794	0.7
192.04236	0.5
192.07855	1.6
193.05089	1.0
193.08679	0.6
205.08702	1.9
207.06653	0.7
217.05112	3.0
217.08665	1.5
219.03001	6.8
220.03770	23.3
220.07280	0.8
220.11063	1.0
221.04176	0.7
221.08284	0.7
235.06123	100.0
235.09772	19.3
235.13409	10.0
236.06509	4.2
236.10121	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91333	0.4
56.08956	0.3
57.02035	0.4
62.63358	0.4
69.06428	1.4
69.06857	1.9
72.54766	0.4
91.03598	0.4
91.05531	0.6
92.14785	0.4
93.03484	0.6
105.03456	0.4
106.64721	0.4
106.70134	0.3
111.00877	0.6
118.04239	0.4
119.05054	2.6
124.01614	0.5
129.03482	1.0
135.04544	0.9
137.02524	0.6
145.02957	2.0
146.03815	0.6
147.04553	3.7
149.02444	0.4
149.06094	1.5
159.04524	0.4
161.02478	1.3
162.03284	1.2
163.04024	5.8
164.04666	0.5
173.02475	2.2
174.03249	2.1
174.06664	0.6
177.05576	100.0
178.05939	3.3
190.02705	0.4
190.62852	0.4
191.03510	33.9
191.07121	1.1
192.03857	1.3
192.07916	2.4
205.08745	0.4
206.05862	4.7
220.07408	50.2
221.07739	2.1
235.06184	0.9
235.09752	8.8
235.13216	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	235.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17403	2.5
55.01885	13.7
57.03437	8.3
58.00605	4.9
59.01382	97.2
59.66092	2.7
69.03442	2.7
71.01386	84.6
72.99330	4.1
73.02947	43.4
75.75690	2.3
83.01396	25.5
85.02959	53.0
86.00102	4.1
87.00880	4.1
95.01376	4.9
98.21702	5.0
99.00885	18.2
101.02448	100.0
111.00915	5.5
113.02447	34.8
119.98432	2.3
137.02371	2.2
147.04524	3.8
151.04022	3.0
159.03003	5.9
161.02457	12.3
161.04584	19.7
175.04005	5.6
176.04782	4.1
177.05589	4.4
191.03456	4.1
191.07217	2.5
205.05099	8.9
220.03688	6.2
220.07417	10.2
230.18706	4.2
235.02472	3.7
235.06163	10.3
235.09746	5.5
235.11874	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	235.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91036	1.9
55.01870	9.2
57.03450	9.8
58.00571	3.7
58.45958	2.2
59.01381	85.9
61.20410	2.2
64.57902	2.1
69.03452	2.9
69.56210	10.8
71.01387	100.0
71.47044	2.1
72.01717	2.7
72.99297	8.5
73.02952	35.9
83.01396	22.0
85.02956	54.0
86.00082	2.7
86.09719	2.0
87.00878	6.5
89.02440	14.5
95.01408	8.4
99.00917	16.4
101.02448	99.9
111.00852	3.7
113.02456	42.5
125.02460	2.8
129.02026	3.1
141.01897	2.6
143.03510	2.1
149.06128	2.4
159.02992	5.7
161.02460	3.2
161.04565	17.1
175.04077	3.1
191.07118	3.6
205.08661	3.4
220.11090	4.3
235.02754	4.0
235.06128	4.0
235.11688	9.0
235.13795	20.6
242.72235	2.2
259.48318	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26429	0.2
64.99156	0.2
70.42325	0.2
72.83389	0.2
80.02660	0.7
95.05039	3.6
105.03449	0.4
111.04490	0.4
123.04503	0.3
139.07652	0.4
147.08130	0.2
149.06071	0.4
150.06874	0.3
152.04791	0.2
161.09700	1.6
163.07635	0.4
165.05634	0.5
165.09204	0.8
166.06360	0.7
177.01968	0.4
177.05553	0.3
177.09224	0.9
179.07118	1.5
191.07133	1.7
192.07813	0.3
203.07095	0.6
205.08711	16.7
206.09012	0.7
219.10214	0.4
220.11058	15.9
221.11354	0.5
235.09648	3.1
235.13406	100.0
236.10229	0.3
236.13751	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	235.1343
Annotation	2-Methoxy-6-heptyl-1,4-benzoquinone
Peak:m/z	Relative Intensity
57.89700	0.4
59.01355	0.7
61.02426	0.4
61.98842	0.3
64.94622	0.4
70.60100	0.4
70.60425	0.6
80.02657	0.6
85.00462	0.3
94.02982	0.3
95.05030	3.7
99.22654	0.3
137.57440	0.3
149.06079	0.6
161.09749	1.6
163.07686	0.6
165.05588	0.5
165.09239	0.9
166.06339	0.7
167.78757	0.3
177.05630	0.4
177.09203	0.7
179.07137	1.5
191.07120	1.7
191.90550	0.4
199.32547	0.4
205.08707	16.6
206.09064	0.6
220.11049	15.8
235.13405	100.0
236.13773	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85839	0.4
53.63441	0.2
61.98822	0.3
70.28325	0.6
70.28655	0.3
90.26336	0.2
91.61295	0.3
94.99969	0.3
101.96410	0.3
111.04458	0.3
120.87891	0.3
130.04192	0.3
134.03720	0.6
135.04550	0.6
136.05301	0.7
148.05319	12.7
149.05980	0.5
149.09743	1.7
162.06889	0.7
169.50464	0.3
175.07628	0.4
176.08434	1.1
177.09219	57.0
178.09607	1.9
179.07120	1.2
180.07942	0.3
190.09999	2.3
191.10738	1.0
192.11577	38.4
193.11980	1.4
201.09244	0.8
203.07152	0.9
217.08713	3.6
218.09485	9.6
236.10558	100.0
237.10983	4.0
237.14917	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	237.077
Annotation	Sclerotinin B
Peak:m/z	Relative Intensity
55.01884	0.3
59.01358	0.3
67.05534	1.1
68.99831	1.0
69.03458	0.3
69.18314	1.2
70.57300	0.2
71.56840	0.2
79.01884	0.4
81.03450	0.3
83.47758	0.2
87.04527	0.4
93.03463	0.4
95.04994	0.3
96.02174	0.4
97.02946	0.3
99.08205	0.3
109.02977	0.2
109.06612	1.8
111.04532	100.0
112.04871	1.8
121.02926	0.2
121.06614	0.3
122.03757	0.3
123.04525	0.9
123.08175	4.6
125.02467	1.8
125.06125	0.3
128.01175	0.3
137.09717	0.5
147.08208	0.2
149.02475	0.5
149.06133	0.3
149.09721	0.3
150.03194	0.3
150.06886	0.4
151.00418	0.3
151.04012	0.2
151.07651	0.3
165.09221	1.8
167.03561	0.2
167.07133	1.1
170.63977	0.2
175.07610	0.3
177.05557	0.5
179.03500	0.3
179.05061	0.2
179.07169	0.8
191.07243	0.2
193.08716	14.5
193.12344	4.4
193.15977	0.2
194.09100	0.7
195.06686	1.9
209.08221	0.8
219.06677	0.7
235.06100	0.4
237.07724	23.1
237.11365	10.6
237.14894	3.0
238.08029	1.1
238.11652	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.077
Annotation	(-)-EI 1941-2
Peak:m/z	Relative Intensity
51.17425	0.2
54.88366	0.2
55.01869	0.3
57.03424	0.2
65.00330	0.7
68.99822	2.8
69.68439	0.9
71.05004	0.2
79.01443	0.2
79.01896	3.7
81.03453	1.6
83.01392	0.3
85.06596	1.0
87.04536	0.4
92.61249	0.2
95.05030	1.2
97.02956	1.2
99.08177	0.4
103.01910	0.6
105.03466	0.6
105.07117	0.2
109.02940	0.3
109.06586	0.9
111.00900	0.2
111.04533	9.2
112.04850	0.2
121.02953	0.5
122.03745	0.2
123.04557	0.4
123.08179	3.2
125.02450	0.6
125.06094	2.6
131.08722	0.3
135.00914	0.2
135.04539	0.7
137.02518	0.3
138.03256	0.5
139.04019	1.7
145.06575	0.8
147.07088	0.3
147.08176	4.8
149.02434	0.6
149.06068	0.9
150.06877	0.3
151.00409	0.3
153.01939	0.5
153.05594	0.3
163.07687	1.1
165.01968	1.5
165.09218	5.6
166.02728	1.1
167.03503	2.4
167.07144	0.7
173.06111	2.1
175.04070	0.3
175.07652	0.5
176.04802	0.6
178.99892	0.6
189.05579	0.5
190.99944	1.3
191.07147	6.4
192.00624	0.8
192.07516	0.2
193.01453	4.1
193.08780	1.1
194.02197	0.3
204.04231	0.2
205.95175	0.2
206.02303	0.3
208.44104	0.2
209.06212	0.2
209.08211	4.9
217.05034	1.8
219.03044	0.6
219.06625	8.3
220.03790	4.7
220.06091	0.3
220.06900	0.4
235.06131	28.6
236.06526	1.3
237.07693	100.0
238.08032	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	237.0769
Annotation	Sclerotinin B
Peak:m/z	Relative Intensity
55.01873	0.4
57.03446	0.5
59.01385	0.4
68.99818	3.3
69.06453	0.8
69.06855	2.0
69.76176	0.3
77.03936	0.3
79.01898	5.5
80.18532	0.3
81.03465	2.3
83.62231	0.3
84.86880	0.3
85.06581	1.2
92.48666	0.4
95.05051	1.8
97.02978	1.7
103.01886	1.0
105.03454	0.5
109.02962	1.2
109.06580	1.3
111.00913	0.4
111.04523	11.8
121.02955	1.3
123.04548	0.9
123.08170	3.8
124.01688	0.4
125.02455	2.6
125.06095	4.0
129.07100	0.3
135.04517	1.4
135.08195	0.6
136.01692	0.4
137.02415	0.5
137.09737	0.7
138.03242	2.3
139.04044	1.9
145.06607	0.7
147.08173	5.0
148.05284	0.4
149.02428	0.9
149.06029	0.8
151.00357	0.4
151.07680	0.9
153.01907	0.5
153.05589	0.4
162.06844	0.4
163.07718	1.7
165.01955	1.4
165.09224	6.4
166.02704	2.3
167.03470	3.1
167.07161	1.0
168.12592	0.3
170.02208	0.9
173.06084	2.3
176.04768	1.0
179.07141	4.0
189.05553	0.4
190.99896	1.3
191.07159	7.4
193.01439	3.7
193.08704	5.9
193.12445	0.5
195.06619	1.3
197.81277	0.4
198.62219	0.3
204.04141	0.4
209.08209	15.6
210.08551	0.7
217.05028	2.1
219.03059	0.4
219.06616	7.8
220.03760	5.3
220.07091	0.4
221.04088	0.3
222.12602	0.9
235.06128	27.9
236.06410	1.2
237.07697	100.0
237.14932	10.5
238.08093	4.3
238.15411	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	10.2
57.03452	8.2
58.00595	3.4
58.46529	0.9
59.01382	80.4
69.57427	4.7
71.01387	98.9
72.01718	1.1
72.99308	4.6
73.02950	40.2
75.00883	4.4
75.04520	1.9
78.95892	1.5
83.01394	19.7
85.02957	52.7
87.00888	8.1
89.02450	13.6
95.01392	8.7
97.02962	2.6
99.00898	15.2
101.02448	100.0
102.02802	1.5
111.00951	1.3
113.02460	45.5
114.22150	1.3
119.03505	2.8
120.99651	1.9
125.02457	2.9
129.01958	2.3
143.03539	2.9
159.02995	9.8
161.04556	33.0
172.92780	1.1
191.57423	1.3
237.09784	18.0
238.49506	1.1
240.96925	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61060	0.3
52.80037	0.3
53.35890	0.4
55.01865	1.4
57.03440	0.4
59.01355	0.4
59.57095	0.3
62.30890	0.3
69.77012	0.4
69.77368	1.0
77.72929	0.3
79.01892	1.4
81.03456	0.3
85.06573	0.4
87.04520	3.3
95.05018	0.5
96.96013	0.4
99.08176	2.3
107.05007	0.6
111.04534	4.3
116.92883	0.8
121.06605	0.8
123.08173	18.6
124.08494	0.6
125.06106	0.4
135.04523	0.3
137.09706	0.6
149.06059	1.5
152.04797	0.4
167.07143	9.4
175.11279	1.8
177.09258	0.4
178.09926	0.4
179.10777	1.0
180.12033	0.3
191.53801	0.3
193.05061	1.2
193.12337	49.1
194.12691	1.5
207.06546	0.4
219.10315	1.8
222.08968	0.6
224.70477	0.4
237.11331	100.0
238.11667	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	237.1133
Annotation	Agglomerone
Peak:m/z	Relative Intensity
55.33355	0.7
55.43753	0.3
68.51318	0.4
69.25334	2.3
91.05523	0.4
93.03461	0.7
98.21801	0.8
109.02945	0.5
111.04548	0.5
116.92868	0.8
117.03450	0.5
119.05016	0.4
125.06106	0.9
137.02463	9.3
149.06105	0.7
152.04800	3.5
156.06400	0.5
161.09718	1.9
163.00381	2.3
164.98294	0.4
165.01944	4.1
167.07159	6.4
168.07462	0.5
179.03380	0.4
179.07217	0.8
179.10718	0.4
180.04274	1.2
189.05603	2.1
193.05031	2.1
193.12256	0.9
207.06638	100.0
208.06958	3.3
222.08992	14.0
223.09344	0.4
237.11337	83.5
238.11617	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	237.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19633	0.5
55.01884	1.4
68.67491	0.4
69.39925	2.6
71.05022	0.5
73.02947	1.1
73.40414	0.3
79.01890	2.8
80.02620	0.3
81.03487	0.7
83.05070	0.4
85.06612	2.7
91.05547	1.0
95.05049	0.6
97.02973	1.6
97.06606	1.9
99.08173	1.6
101.06098	1.0
102.99095	0.4
107.05048	0.7
109.06593	7.0
111.04527	9.3
123.04546	0.5
123.08213	0.7
125.02464	0.7
125.06068	3.5
135.04523	3.9
135.08191	3.7
136.05287	0.4
136.50206	0.4
137.09732	8.6
138.03200	0.5
141.77190	0.4
147.08249	0.5
148.05316	0.4
149.06013	0.5
151.04036	1.2
151.07701	0.5
151.11296	0.9
152.04755	0.5
153.05586	20.5
165.09259	0.5
167.10789	0.5
175.11324	0.7
177.09232	0.7
178.09610	0.7
179.03662	3.2
179.07147	39.1
180.04353	1.5
180.07553	1.1
191.07329	0.4
191.10771	2.8
191.14455	1.1
193.01419	0.5
193.12331	21.1
194.12709	0.9
207.10277	0.4
209.08176	2.0
219.10214	0.9
222.12621	5.5
229.55957	0.5
235.06146	1.4
235.09787	0.8
237.07915	8.6
237.11342	100.0
237.14998	89.5
238.11644	4.4
238.15251	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	237.1498
Annotation	Rumphellolide C
Peak:m/z	Relative Intensity
59.01387	0.6
69.01479	5.0
78.95922	0.6
96.95988	0.5
97.06600	1.5
111.77039	0.5
121.02930	0.6
125.02447	0.6
135.08174	4.0
139.42018	0.5
144.06277	0.5
146.97562	0.6
151.72255	0.6
155.39125	0.5
167.07170	0.6
167.10783	0.7
170.77184	0.5
176.15860	0.5
179.07149	45.0
180.07538	1.5
207.06625	8.8
209.08238	3.1
222.09140	1.1
222.12631	6.7
237.07710	2.2
237.11522	7.7
237.14966	100.0
238.15271	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	237.1498
Annotation	(1S,2S)-3-Oxo-2[(2Z)-pentenyl]cyclopentane-1-butyric acid
Peak:m/z	Relative Intensity
60.25134	0.3
65.60189	0.4
68.39716	0.3
69.20285	2.5
83.05029	0.4
87.16048	0.3
106.10564	0.4
111.04540	0.7
140.33905	0.3
151.11311	1.5
179.10764	0.6
189.12881	2.1
191.14436	59.5
192.14725	2.7
193.08694	0.5
193.15979	1.2
209.08287	1.7
219.06602	0.4
237.07927	2.0
237.14983	100.0
238.15352	5.2
240.26758	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1499
Annotation	(1S,2S)-3-Oxo-2[(2Z)-pentenyl]cyclopentane-1-butyric acid
Peak:m/z	Relative Intensity
58.47728	1.5
59.01118	2.2
59.01387	17.8
61.98784	1.6
64.60602	1.6
67.46660	1.5
68.43649	1.6
70.18472	4.6
75.15676	1.5
78.95872	1.9
79.41059	1.4
80.02717	1.7
81.03471	6.7
116.92863	3.5
118.17522	1.4
122.03747	2.6
123.08173	5.9
125.09729	12.7
137.09758	4.3
145.03001	2.0
149.09731	5.4
163.11334	2.4
165.12871	7.2
169.08693	2.0
178.09970	4.5
179.10774	23.0
191.14432	2.3
193.08655	2.7
193.16011	2.5
197.00089	2.1
237.14958	100.0
238.15321	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	239.0561
Annotation	(1R,6R)-6-Hydroxy-2-succinylcyclohexa-2,4-diene-1-carboxylate
Peak:m/z	Relative Intensity
52.79993	0.5
55.01884	0.6
57.03454	2.1
59.01377	3.9
65.00339	1.2
67.01873	1.0
69.03456	1.2
71.01396	1.3
73.02953	1.1
79.95729	1.4
80.02681	0.5
81.03460	10.5
83.01389	10.1
83.05027	1.1
85.02997	0.5
87.00888	0.9
93.03469	3.3
95.01393	4.8
95.05025	8.1
96.96061	0.7
97.02947	5.1
99.04536	1.8
107.01406	2.2
107.05027	6.7
108.02188	4.2
109.02335	0.5
109.02942	3.0
109.06592	0.8
111.00901	1.5
111.04532	2.8
113.02451	2.3
117.68240	0.6
121.02973	1.6
122.03749	3.0
123.00905	1.4
123.04533	41.4
124.01685	0.8
124.04864	1.0
125.02455	20.0
126.02755	0.8
133.02960	1.4
133.06584	0.6
135.00885	1.4
135.04553	2.5
136.01656	2.7
137.02455	10.5
137.06084	7.0
139.00366	0.8
139.04008	0.9
149.06088	3.8
150.03221	17.8
151.00385	2.7
151.04034	6.2
151.07640	0.6
152.01147	4.9
153.05588	1.7
155.03517	4.7
161.02448	0.5
163.00371	5.2
165.01939	1.6
165.05571	4.0
167.03502	100.0
168.03787	3.1
177.01970	0.8
177.05550	2.8
179.03502	33.2
180.00650	27.7
180.04149	3.5
181.01282	1.5
181.05066	1.6
193.05060	9.0
195.02965	5.7
195.06627	1.4
197.04573	8.2
198.04883	0.6
198.50883	0.7
206.02232	1.7
206.99326	1.8
209.04564	11.5
211.04103	0.7
212.03230	0.8
219.54680	0.4
221.04547	9.7
223.02850	1.7
224.03214	1.1
239.02156	2.9
239.05608	74.0
240.06050	2.4
251.36211	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.6
65.03963	0.4
70.35764	1.1
79.95762	2.6
81.03482	1.0
87.00883	2.0
91.39329	0.4
93.03461	0.6
107.01346	0.6
107.05058	0.5
108.02175	4.5
109.02955	0.8
111.00874	0.5
122.03760	9.6
123.00883	0.6
123.04543	3.5
123.05477	0.7
124.01675	0.9
125.02461	3.4
137.02472	4.1
139.00410	0.8
139.04005	0.5
150.03242	100.0
151.00414	1.1
151.03577	2.2
152.01158	5.2
152.07172	1.4
153.01985	1.1
155.03462	0.6
165.01952	1.2
165.05589	20.7
167.03511	7.3
169.01466	0.8
177.05591	0.4
179.05692	0.5
180.04308	9.4
180.05792	0.4
181.01405	3.8
185.43900	0.4
194.02225	3.5
195.03004	1.1
195.06396	0.7
195.07880	1.3
196.03767	1.5
198.50960	1.2
205.47844	0.4
206.99507	0.6
207.04314	0.4
209.04579	43.8
210.04919	1.2
213.67120	0.4
223.02864	0.8
224.03261	4.5
239.02118	2.4
239.05617	34.1
240.06097	1.0
256.78308	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0562
Annotation	(1R,6R)-6-Hydroxy-2-succinylcyclohexa-2,4-diene-1-carboxylate
Peak:m/z	Relative Intensity
50.73764	1.1
55.01883	11.6
55.74062	0.9
59.01342	1.0
68.99820	1.0
79.01904	4.3
85.02968	1.8
86.19798	1.0
95.05009	1.4
98.21819	2.9
99.00864	1.9
107.05056	1.2
111.04528	90.2
112.04854	1.1
121.06590	2.0
123.08172	72.9
124.01667	1.5
124.08500	1.2
125.02470	7.0
127.00375	8.8
149.06172	1.5
151.00386	3.3
151.07683	2.6
152.04820	3.4
167.07147	35.1
177.05579	16.6
180.04256	2.2
184.03761	2.6
194.36287	1.1
195.06633	100.0
196.07010	1.8
239.05589	21.3
239.09334	3.1
239.12898	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	239.0563
Annotation	Eucomic acid
Peak:m/z	Relative Intensity
52.25222	0.8
58.00597	1.7
59.01101	1.9
59.01383	30.8
69.38603	4.5
71.01385	11.2
72.99298	2.7
79.95740	6.7
81.95319	1.9
83.01375	2.8
87.00853	1.2
89.02442	4.8
92.02663	1.4
93.03465	59.0
94.03757	1.3
95.01389	6.5
98.21842	1.1
101.02449	8.6
105.01907	0.9
107.05054	4.6
108.02177	5.3
109.02917	1.8
111.04489	0.9
119.04980	1.1
121.02963	2.5
123.00918	1.1
123.04516	3.3
125.02409	1.1
127.03979	1.3
133.02962	1.0
133.48410	0.8
135.04544	6.0
135.60815	0.8
136.01674	34.0
137.02454	61.7
149.02437	2.9
150.03172	1.8
151.04042	5.1
152.01147	2.4
163.00414	1.0
163.04030	0.9
165.01936	1.2
165.05450	0.9
166.67151	0.9
167.03510	2.4
177.05559	1.8
179.03510	100.0
180.00636	1.1
180.03897	3.4
191.03474	1.1
193.01515	1.0
193.05075	1.0
195.03108	1.0
198.50945	6.2
199.00647	1.6
209.04536	1.0
218.50148	0.8
223.02817	2.4
224.03137	1.9
239.01874	1.8
239.05606	55.9
239.09401	2.7
240.05983	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	239.0563
Annotation	Eucomic acid
Peak:m/z	Relative Intensity
55.96592	0.9
57.89591	0.7
59.01389	1.4
65.83457	0.7
69.76840	2.8
72.80607	0.8
79.01893	1.1
83.01378	0.9
88.01364	0.9
112.51051	0.7
119.05013	2.2
121.02924	0.7
124.01745	0.9
127.00437	0.8
135.04544	0.9
137.02425	2.5
138.03247	8.5
151.04030	1.8
151.07666	1.3
152.04779	2.8
153.05594	10.9
165.01938	1.3
171.34454	0.8
179.03514	17.9
180.04294	94.8
181.04623	3.1
195.06635	100.0
196.06990	3.7
197.04578	2.9
200.84166	0.8
206.02150	1.8
211.03944	0.9
221.00925	1.9
223.02863	1.8
239.05602	38.3
239.12743	1.8
240.05946	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.4
57.03444	0.7
59.01360	0.5
59.96709	0.5
69.52063	1.2
74.99076	11.7
75.96235	0.4
78.77092	0.2
81.03423	0.3
83.01363	0.3
83.05017	1.1
84.02171	0.2
85.02475	0.4
85.02957	4.5
91.02213	10.5
93.00151	4.8
95.05864	0.3
97.02911	0.3
97.06630	0.3
98.22536	0.3
99.96326	0.2
111.04508	0.7
127.04013	0.5
127.07507	0.2
141.09256	0.4
148.99777	0.3
149.00949	6.1
155.07196	0.3
155.10760	0.4
167.05360	0.3
169.12340	1.0
171.10313	0.3
173.51602	0.3
177.09160	0.4
179.07185	0.4
180.07909	0.3
182.05760	0.3
193.08589	0.3
193.12331	0.5
195.13893	0.7
197.08154	0.8
198.99133	0.2
206.99712	3.6
221.04684	1.3
221.08173	1.7
221.11844	2.5
221.15446	0.6
223.02838	100.0
224.02864	5.4
239.05612	1.2
239.09261	3.0
239.12900	5.6
239.16501	1.9
241.03954	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.4
56.89389	0.9
57.03459	6.8
58.00579	1.1
58.99606	1.8
59.01379	23.4
64.86957	1.2
69.03449	3.4
69.06676	6.1
69.07079	1.8
71.01385	24.3
72.99313	7.3
73.01182	4.7
73.02940	2.7
74.99093	1.2
75.00840	1.4
78.95921	1.4
81.03458	3.2
82.56096	1.1
83.01396	1.9
83.05016	3.3
85.02955	52.6
87.00900	5.7
87.04510	1.3
88.52145	1.1
89.02460	12.6
93.03445	1.4
97.02956	2.7
99.00897	3.9
99.04526	2.2
101.02441	5.5
111.04539	7.3
113.02473	3.4
114.15020	1.2
115.03973	2.4
117.05534	1.9
123.04544	1.7
125.02454	1.8
129.01955	2.9
131.03516	23.0
133.03311	2.9
143.03511	1.1
151.04327	4.4
161.04573	10.7
165.04027	2.8
170.60440	0.9
179.05638	3.2
203.05618	0.9
216.23616	1.1
221.06671	100.0
222.07054	3.1
239.07730	89.1
240.08234	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	239.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28154	1.0
50.63829	1.1
55.01868	1.8
57.03448	5.8
59.01136	1.5
59.01387	18.7
66.64280	1.0
69.03452	3.0
70.45265	2.1
70.45599	1.9
71.01388	20.8
72.06657	1.0
72.99306	5.4
73.02953	3.4
78.95901	3.8
81.03462	1.8
83.01389	2.0
83.05044	2.1
85.02961	42.6
87.00888	2.0
87.04529	2.0
89.02460	11.3
97.02977	2.3
99.00893	2.1
99.04543	2.0
99.70174	1.1
101.02474	5.9
102.39797	1.0
109.02957	1.5
111.04527	7.9
113.02449	3.3
117.05594	1.6
125.32603	1.0
128.96829	33.5
129.01953	3.1
129.96936	2.3
131.03529	24.2
136.23318	1.1
161.04585	9.6
178.96004	1.9
179.05623	1.5
203.05647	1.5
221.06693	100.0
222.07050	2.5
238.90869	6.6
239.07748	81.7
240.08144	1.8
245.19896	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0927
Annotation	(-)-EI 1941-3
Peak:m/z	Relative Intensity
55.01885	0.7
59.01370	2.1
62.34233	0.6
67.05527	0.7
71.05019	4.9
81.59320	0.5
83.05010	1.3
85.02946	1.6
85.06598	5.5
86.87515	0.5
87.04511	1.7
87.76648	0.5
88.02524	0.5
95.05022	2.8
97.06606	0.6
99.04538	3.3
107.05029	1.6
108.75314	0.5
109.02951	6.7
111.04526	6.1
111.08219	0.8
113.06075	0.7
122.03709	0.6
123.04531	2.6
123.08176	1.4
125.02486	0.6
125.06071	0.9
127.04025	8.0
135.00912	0.7
135.08188	0.8
137.02449	0.7
137.06100	0.7
137.66455	0.5
139.07651	0.8
149.02492	0.5
149.09715	0.5
151.04039	3.3
151.07634	1.9
151.11272	0.7
152.04814	2.2
153.01956	0.8
153.09239	0.8
155.07126	1.2
161.05981	0.8
162.06801	0.6
167.23076	0.5
175.07742	0.8
177.01912	0.6
177.09262	2.9
178.02747	3.2
178.73940	0.5
179.07172	8.9
180.07901	3.4
180.51566	0.5
181.05087	1.3
182.02138	0.7
183.06627	11.6
191.03458	0.5
193.08699	8.1
195.06529	0.6
195.10323	2.7
196.03780	0.7
197.08206	4.7
203.07190	1.6
205.05057	1.7
206.05859	1.4
210.91261	0.6
211.09792	0.7
221.08195	44.7
222.08566	1.5
224.06924	4.9
239.09264	100.0
240.09631	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	239.0926
Annotation	(-)-EI 1941-3
Peak:m/z	Relative Intensity
55.62630	0.4
57.03453	5.3
59.01374	3.0
65.03976	0.5
66.58299	0.4
67.01926	0.6
68.99815	1.1
69.03468	3.1
69.04512	3.9
71.01365	0.9
79.22425	0.5
81.03483	0.6
81.07122	0.7
83.01394	2.1
83.05029	2.8
85.02961	12.5
93.03449	1.8
95.01389	10.7
95.05046	0.6
96.02184	1.9
97.02966	2.7
98.41235	0.5
98.85353	0.5
99.08164	5.5
101.06076	2.0
102.08672	0.4
104.61287	0.5
107.05010	0.8
108.02181	0.7
109.02970	3.4
109.06583	4.1
111.00874	1.1
111.04539	4.1
111.08115	0.7
113.02458	12.9
114.02808	0.5
120.02130	0.7
123.00882	0.7
123.08192	2.6
125.06088	9.3
125.09743	1.8
127.04021	0.6
127.07651	1.4
133.10207	1.1
134.03780	0.6
135.00888	0.8
135.08182	1.6
137.02455	3.9
137.06088	1.2
138.03256	2.2
139.00336	0.5
139.04037	2.3
141.09213	0.8
149.09723	1.8
151.07652	0.9
151.11310	1.0
153.01952	3.4
153.09213	3.7
155.03470	0.7
162.06920	0.6
164.01228	0.9
164.04773	0.5
167.10805	0.6
168.00661	2.0
169.08759	1.2
177.01881	0.8
177.09198	3.8
179.07149	10.7
180.07906	4.8
193.08714	12.3
195.06537	1.1
195.10269	7.3
197.08191	36.8
198.08528	1.2
211.09694	0.8
221.08199	23.2
222.08560	1.3
224.06914	3.9
239.09256	100.0
240.09581	4.3
243.03651	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0927
Annotation	Pyrenocine E
Peak:m/z	Relative Intensity
57.03458	3.2
59.01369	2.6
68.99797	0.8
69.03448	3.0
71.05004	3.2
83.01392	2.0
83.05032	1.7
85.02957	11.2
93.03442	1.3
95.01390	8.3
96.02195	1.0
97.02950	1.3
97.06621	1.0
99.08175	7.2
101.06073	1.7
103.38084	0.7
107.05048	1.0
109.02955	2.1
109.06612	5.1
111.00870	1.2
111.04524	1.9
111.08175	1.3
113.02453	10.2
117.81277	0.6
120.02108	0.8
123.00932	1.1
123.08168	3.1
125.06091	11.4
125.09693	3.5
127.07686	1.5
135.08180	1.2
137.02420	3.0
138.03262	3.3
139.00403	1.6
141.09166	0.8
149.09731	2.8
151.04018	1.3
151.07608	1.1
151.11331	1.3
153.09239	3.5
155.07164	1.5
162.06921	1.1
164.01208	1.0
167.03519	1.5
168.00674	0.9
169.08727	2.8
177.09187	3.2
179.07146	9.3
180.07945	4.1
193.08696	9.6
195.06590	1.2
195.10237	7.3
197.08206	39.5
198.08580	2.0
221.08195	20.7
221.11633	1.1
222.08405	0.7
223.02798	0.8
224.06898	2.0
228.79402	0.7
239.09262	100.0
239.12660	3.6
240.09639	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0926
Annotation	CMPF
Peak:m/z	Relative Intensity
56.80366	0.7
57.03454	1.4
59.01383	100.0
69.00643	4.7
79.95758	2.6
81.03481	1.9
81.27200	0.7
81.95341	1.2
85.02961	1.0
93.03488	1.7
95.05068	2.7
96.96004	1.3
97.06614	3.5
107.05043	0.8
109.06617	4.1
121.03008	0.8
121.34125	0.9
123.04595	0.9
135.08199	2.8
137.02507	1.6
139.04062	1.1
141.05600	9.8
142.05960	0.9
151.04048	1.0
151.11298	3.7
160.34634	0.7
165.02000	2.0
177.09302	2.7
179.05759	1.3
179.07191	1.8
195.03073	1.3
195.10268	35.5
195.14040	1.7
196.10620	0.9
198.51067	2.6
199.00691	1.1
206.65192	0.8
221.08266	1.1
223.02852	1.7
234.02414	0.7
239.05687	1.8
239.06752	1.4
239.09280	22.2
239.12926	1.4
247.12057	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0927
Annotation	Pyrenocine E
Peak:m/z	Relative Intensity
55.01875	2.5
57.03440	1.3
59.01365	4.1
66.55357	0.8
67.95855	0.9
69.25877	5.9
71.05030	6.1
71.42513	0.8
77.27055	0.9
81.03442	1.1
83.05042	6.1
85.02970	4.5
85.06586	5.0
86.25858	0.8
87.04514	1.8
93.03462	1.8
95.01382	1.0
95.05035	5.8
96.02187	1.9
97.02911	1.3
97.06617	5.8
99.04529	19.7
109.02969	6.7
110.03777	1.5
111.04528	21.2
111.08172	3.3
113.02443	2.5
113.06094	1.8
122.03732	1.3
123.04535	4.6
125.09708	2.0
127.04025	43.4
132.13458	0.9
135.08153	2.4
137.02438	4.5
137.06046	1.5
139.07674	4.2
141.05612	1.6
151.04036	4.5
151.07668	1.9
152.04797	7.1
153.09225	8.2
155.07143	4.6
165.05594	1.7
177.09149	2.1
179.03494	1.9
179.07155	17.1
180.07924	17.9
181.05061	11.3
183.06641	16.2
193.08691	2.2
195.06528	4.3
195.10265	13.0
197.06354	1.2
197.08191	24.3
199.18106	1.0
221.08156	8.0
237.03001	0.8
239.09258	100.0
240.09584	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	239.0927
Annotation	Pyrenocine E
Peak:m/z	Relative Intensity
55.01865	3.6
59.01387	6.7
70.32606	2.2
71.05027	5.5
73.02943	0.9
81.03442	1.7
83.05025	6.7
85.02927	5.5
85.06596	5.9
85.36475	0.9
87.04519	2.8
93.03498	0.9
95.01394	1.9
95.05025	5.6
96.02209	1.8
97.02963	1.0
97.06570	5.2
99.04523	16.6
99.08127	1.0
107.05007	1.4
109.02962	6.7
109.06612	1.0
110.03741	3.0
111.04536	23.9
111.08168	5.3
113.02457	3.3
113.06087	2.6
122.03739	1.1
123.04549	3.9
124.05266	1.3
125.02486	1.2
125.09776	1.2
125.16630	1.3
127.04024	33.9
135.08180	2.7
137.02444	4.3
137.06087	2.1
139.07655	3.5
141.05588	2.6
151.04030	5.0
151.07640	2.0
152.04803	7.6
153.09195	8.9
155.07156	3.7
165.05585	1.7
177.09273	1.7
179.07155	15.3
180.07938	19.6
181.05081	15.5
183.06630	22.3
184.06905	1.1
193.08743	4.1
195.06581	4.9
195.10275	13.2
196.07195	1.0
196.10542	0.9
197.08200	21.3
201.79370	0.9
207.99582	0.9
221.08182	7.9
239.09264	100.0
240.09650	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	239.129
Annotation	Unknow
Peak:m/z	Relative Intensity
64.99898	0.5
69.71543	2.0
73.51871	0.5
94.89326	0.5
95.05026	1.3
98.22459	0.6
101.06093	8.0
109.06602	5.8
111.08154	5.4
122.03738	0.9
125.09744	0.8
128.01758	0.5
139.04030	15.4
139.07616	0.6
154.06369	33.0
155.06827	0.7
167.14417	10.8
168.14790	0.5
179.10788	5.5
182.05841	3.4
183.14061	0.5
191.36513	0.5
195.13911	100.0
196.14273	2.9
223.02902	0.9
228.75569	0.5
239.06784	0.8
239.12997	4.9
239.16653	0.6
250.85999	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1291
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
55.01877	2.9
57.03449	13.5
59.01370	3.2
67.01887	1.7
69.00696	8.4
69.03456	2.2
71.01382	1.9
71.05018	3.9
74.99078	5.5
80.02672	1.7
81.03461	5.6
83.01396	5.0
83.05035	19.7
84.02171	4.5
85.02956	100.0
85.06612	2.0
86.03284	1.0
87.04520	2.7
90.28398	1.0
91.02213	5.0
93.00158	2.4
95.01405	2.1
95.05029	3.2
97.02975	4.9
97.06627	1.4
107.05059	1.3
109.02951	3.1
109.06586	3.5
110.03732	2.6
111.04530	16.1
111.08181	1.3
113.06119	1.6
123.04538	3.6
123.08171	2.0
125.09717	1.9
127.04043	3.0
133.06612	2.8
139.07640	1.7
141.01888	1.4
141.09187	3.2
142.02762	2.8
149.00925	2.9
149.09731	1.8
151.11278	1.2
153.05505	1.6
153.09229	2.1
155.07114	1.3
155.10823	6.8
167.07196	1.5
169.12314	11.0
171.10286	4.3
175.11229	1.9
176.21915	1.1
177.05609	2.8
177.09259	1.9
177.12898	5.9
179.03558	2.3
179.07196	3.3
180.07953	2.0
183.06631	4.2
193.08783	1.5
193.12326	6.0
195.06635	1.9
195.10246	2.2
195.13918	5.3
197.04524	1.5
197.08223	5.1
199.79704	1.2
206.02231	2.1
206.99785	2.2
211.13351	1.6
221.04588	26.5
221.08269	14.2
221.11829	43.5
221.15181	9.0
222.12120	2.4
223.02840	48.8
224.02950	3.3
224.06866	2.3
239.05547	12.6
239.09264	33.4
239.12904	98.7
239.16481	26.1
240.13396	3.2
240.16965	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1291
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
59.01381	3.9
59.76672	1.0
69.59356	3.1
69.59762	2.1
98.21857	2.2
123.00893	1.4
171.12505	1.3
177.12827	3.6
195.13916	100.0
196.14268	3.4
197.79597	1.2
221.11661	1.2
223.02826	2.9
236.31509	1.1
239.12927	9.6
239.16597	1.3
241.05278	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44471	3.6
57.03444	10.8
58.26397	3.7
68.37801	5.2
69.14854	29.1
77.27783	3.5
81.03461	49.2
83.05037	9.3
85.02958	36.6
85.06591	29.1
95.01375	5.3
111.04534	9.9
111.08163	5.0
123.08161	5.8
125.06165	4.1
127.04016	6.6
136.35995	4.2
137.02443	5.6
137.06105	8.9
144.78467	4.3
151.07660	6.3
151.11310	11.1
152.08429	5.8
167.14418	100.0
169.08740	4.7
177.12840	13.6
179.07143	8.5
195.13922	18.6
197.08220	10.6
210.56801	3.6
221.08241	10.4
221.11818	18.1
223.02916	5.7
239.07095	7.3
239.09247	43.5
239.12924	96.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1291
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
55.01865	2.8
57.03452	16.2
59.01376	5.1
67.01884	2.3
69.03450	1.9
70.01747	0.8
71.01384	1.5
71.05025	59.7
71.28052	1.0
80.02666	2.9
81.03458	3.1
83.00941	0.8
83.01377	4.7
83.05033	21.6
84.02172	7.4
85.02956	93.5
92.43257	0.8
92.73965	0.9
95.05035	2.5
97.02957	7.0
97.06615	6.5
97.26151	0.9
97.32978	0.9
99.08160	2.2
109.02946	1.2
109.06586	3.3
110.03729	1.9
111.04540	2.2
111.08131	0.9
113.02433	1.0
113.09728	1.0
121.47334	0.8
123.00940	1.0
123.08226	1.6
125.09709	1.4
127.11292	1.6
137.09689	1.1
139.04034	7.3
139.47173	0.9
141.12860	13.7
142.02695	1.9
153.09225	1.5
155.10805	5.8
163.11316	1.6
167.03477	1.6
167.10776	1.6
169.12361	8.0
171.10306	4.8
174.32384	0.9
176.81262	0.9
177.01955	1.4
177.12877	6.5
178.02733	18.6
180.07961	1.0
193.12410	5.2
195.10318	1.4
195.13911	44.7
196.14297	2.1
197.08224	1.9
207.10263	4.4
211.13458	1.2
221.08380	10.7
221.11827	30.3
239.09364	17.1
239.12894	100.0
239.16536	71.2
239.33786	0.9
240.13251	3.9
240.16881	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	239.129
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
51.78195	0.6
55.01876	3.3
57.03180	1.0
57.03450	13.9
59.01365	1.2
67.01893	1.5
69.03437	1.6
71.01362	1.5
71.05023	30.3
78.36464	0.6
80.02678	1.1
81.03466	6.2
82.52011	0.5
83.01386	6.0
83.05025	21.9
84.02161	6.8
85.02954	100.0
85.06607	1.1
86.03292	1.1
87.04533	1.9
95.01403	1.2
95.04453	0.6
95.05032	1.3
97.02953	5.2
97.06564	3.1
99.04530	0.9
99.08153	2.0
107.05035	1.0
109.02990	1.8
109.06600	2.9
110.03741	2.4
111.00883	1.4
111.04542	2.2
112.67722	0.6
113.02439	1.1
123.00905	2.1
123.04542	1.5
123.08173	1.2
124.01616	0.6
125.02462	2.9
125.06076	0.9
125.09705	1.8
125.40957	0.7
127.00359	0.8
127.04029	1.7
127.11313	0.6
135.08168	0.7
136.05287	1.3
136.98741	0.6
137.02490	1.1
139.00401	1.8
139.04070	0.6
140.01160	2.5
141.12866	6.9
142.02731	3.5
147.43542	0.6
149.09741	0.9
151.00424	1.1
151.11325	2.0
152.04791	0.7
153.09215	1.7
155.10794	5.6
155.14432	0.7
167.03490	0.7
167.10782	0.8
168.00664	2.0
169.01405	1.7
169.04947	0.6
169.12369	4.0
171.10306	3.5
175.11266	1.1
177.05582	0.7
177.09337	0.8
177.12869	5.0
179.07135	2.0
182.05835	2.6
183.06641	2.1
183.13962	0.8
193.08733	1.4
193.12326	6.8
195.10378	1.4
195.13914	7.1
197.08177	10.2
211.13356	2.0
216.26210	0.7
221.08466	8.3
221.11816	47.5
222.12146	1.7
223.02831	1.7
224.00751	0.7
224.06888	1.1
239.09274	39.4
239.12920	94.7
239.16545	48.7
240.09605	1.7
240.13255	2.8
240.16953	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1655
Annotation	Putaminoxin D
Peak:m/z	Relative Intensity
57.03435	1.4
59.01366	2.9
69.03466	1.1
69.31975	2.5
69.32404	3.0
71.01357	0.7
71.05010	1.0
74.99065	0.9
75.05299	0.8
76.25733	0.7
81.03474	0.8
85.02946	4.0
85.06589	3.0
87.04533	1.0
95.01346	1.1
97.06600	1.1
99.08165	1.3
99.10235	0.8
109.02961	1.1
111.04529	8.6
111.08202	0.9
113.02483	1.0
115.05408	0.7
123.08167	3.4
125.06094	1.7
125.09746	10.4
127.04038	1.4
129.05557	0.9
139.04010	1.2
141.09235	12.7
149.00981	1.2
151.07654	1.9
153.05534	0.8
155.07126	2.0
155.10789	1.9
169.08717	30.8
169.12383	2.4
177.09201	1.0
179.03575	1.2
179.07146	2.4
179.14413	7.4
183.06680	1.1
193.08701	1.4
195.10213	1.1
195.13907	2.3
195.17540	2.8
197.08203	2.9
214.42809	0.7
217.54181	0.9
221.08151	7.4
221.11781	1.4
221.15498	8.4
223.02899	3.1
224.06955	1.0
226.71059	0.8
239.05507	1.6
239.09334	18.1
239.13011	10.2
239.16531	100.0
240.09393	0.9
240.16850	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	241.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.1
56.22921	0.9
67.01888	1.4
68.99828	1.0
76.63181	0.7
79.09983	0.8
83.01391	4.2
95.01393	9.8
97.02950	1.4
99.00883	1.2
103.32036	0.7
104.22389	0.9
104.65739	0.8
108.85664	0.8
111.00870	6.6
112.98803	2.5
113.15665	0.8
113.41380	0.8
114.73529	0.7
123.00895	89.8
124.01180	1.2
125.02457	1.4
127.00375	10.1
136.98834	7.5
137.02440	1.0
138.03239	50.6
139.00380	10.4
139.03542	1.0
141.01955	1.8
153.02014	4.0
153.05588	40.8
154.02724	4.8
154.05898	1.0
166.99873	66.9
168.00113	1.0
181.01434	3.3
182.02229	78.2
183.02539	1.5
197.04570	100.0
197.11829	1.4
198.04933	3.4
213.05609	0.9
228.93106	1.1
241.01173	1.7
241.03506	24.8
241.10760	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0509
Annotation	2,4,5,6-Tetrahydroxyphenanthrene
Peak:m/z	Relative Intensity
59.01378	2.8
70.85629	2.5
70.85957	2.9
72.55344	2.2
92.12396	2.2
116.63151	2.4
118.22192	2.4
129.07065	2.2
141.07130	6.9
143.05051	16.3
145.06609	4.6
161.06093	3.0
167.05052	6.1
169.06583	9.8
170.03760	2.5
171.04521	24.5
173.06064	6.7
183.98093	2.6
185.06061	34.4
195.04503	12.2
195.51857	2.4
196.05313	12.8
197.06099	30.9
198.03334	4.1
199.04028	37.2
212.04703	11.5
213.05576	64.0
213.07573	4.1
224.04642	3.3
240.04462	3.1
241.02579	5.1
241.05084	100.0
241.14503	6.8
241.21788	3.8
242.08177	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	241.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22753	1.3
55.55990	1.2
69.72691	4.2
74.36334	1.3
80.56612	1.4
82.36181	1.3
91.02972	1.4
100.12912	1.5
115.05547	1.8
129.07127	2.9
130.04211	1.7
130.28336	1.4
141.07126	11.0
143.05023	24.7
145.06601	5.4
151.05519	1.8
153.03380	1.3
155.05084	2.8
156.05792	1.3
157.02956	1.5
157.06612	3.8
158.03673	1.6
161.06081	4.9
167.05029	9.0
168.05759	4.2
169.06635	10.3
171.04538	33.9
172.05225	1.7
173.06087	12.9
179.25502	1.6
180.05853	2.5
183.04527	3.4
184.05209	2.6
185.06104	48.3
186.06381	2.2
189.05550	1.9
195.04565	19.7
196.05325	13.4
197.06097	38.6
197.07970	1.9
198.03180	2.6
198.06335	1.8
199.04025	56.7
211.04039	4.6
212.04805	15.6
213.05589	91.0
214.05949	2.1
218.14236	1.4
223.03917	2.2
224.04729	4.4
240.04285	3.9
241.05081	100.0
242.05414	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	241.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
69.02159	10.3
71.75253	1.2
74.71786	1.2
90.28564	1.2
110.81666	1.3
115.05557	3.1
129.07133	2.6
130.04236	1.2
141.07092	12.2
143.05043	26.7
145.06642	6.5
151.05505	1.8
155.04991	1.2
157.03023	1.9
157.06638	6.0
161.06091	3.9
164.64143	1.3
167.05043	10.8
168.05814	4.0
169.06561	11.1
171.04533	29.2
172.05264	2.1
173.06082	13.7
179.04999	1.5
180.05875	2.2
183.04544	3.7
184.05305	2.1
185.06078	44.9
186.06329	1.8
187.03958	1.6
189.05585	2.2
195.04541	18.1
196.05289	15.2
197.04301	1.3
197.06076	33.6
198.03278	3.1
198.06230	1.8
199.02153	2.3
199.04018	47.8
211.04056	5.1
212.04755	11.0
213.05580	72.3
214.05705	1.6
223.03943	1.5
224.04813	5.1
240.04274	5.5
241.05080	100.0
242.05482	4.6
242.08846	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0719
Annotation	Tetillapyrone
Peak:m/z	Relative Intensity
50.39186	0.7
55.01867	1.6
59.01347	1.1
71.01395	0.9
73.02923	2.4
79.01875	2.2
81.40844	0.7
83.01387	1.3
85.02966	5.0
85.06582	0.8
85.19044	0.8
87.04493	2.2
93.87563	0.9
95.05010	1.4
97.02953	1.1
98.52338	0.8
99.04497	1.6
101.02456	5.3
109.02948	3.3
111.00868	3.4
111.04528	10.8
111.08160	2.1
113.06116	1.0
123.08173	5.1
124.01658	3.6
125.02472	12.0
125.06098	0.9
129.01942	2.5
135.19231	0.7
136.05254	1.1
137.02426	1.8
139.07671	4.1
141.05591	3.3
151.00430	3.9
151.07649	2.1
152.01126	2.4
152.04736	2.6
153.01927	7.9
153.05573	1.8
154.02621	1.2
155.07106	1.8
158.00230	0.7
164.04788	1.0
167.07188	4.5
169.01370	1.6
170.02208	8.9
171.03017	16.0
177.05597	16.8
179.07130	4.7
180.00677	1.7
180.04268	3.4
181.05058	5.1
184.03745	1.2
193.01321	1.1
195.06635	90.3
196.06969	3.1
197.08153	1.7
198.01733	2.4
205.05067	1.6
208.03746	2.7
210.14127	0.9
223.06131	100.0
224.06575	3.6
226.04834	3.2
241.07195	68.2
242.07607	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0718
Annotation	Tetillapyrone
Peak:m/z	Relative Intensity
51.80247	5.2
53.91073	5.0
54.05415	5.2
60.79876	5.1
61.80814	5.1
66.32055	5.3
67.58234	4.8
69.02805	50.0
81.03442	9.2
85.02964	49.8
85.06578	13.5
109.02951	29.5
109.06589	52.9
111.00903	19.5
111.04525	39.5
113.02506	8.0
113.06110	7.7
125.02451	8.0
127.07662	20.7
130.19981	5.5
137.06055	8.2
138.09003	5.5
151.07637	11.2
153.01959	8.8
155.07152	11.0
179.07132	56.4
181.05083	100.0
195.06624	35.5
223.06178	43.1
224.06889	34.7
241.07082	27.8
241.18192	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	241.0719
Annotation	2,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone
Peak:m/z	Relative Intensity
59.01385	9.6
61.73907	1.2
61.89641	1.1
64.39713	1.2
64.53082	1.3
65.00301	1.4
66.32755	1.4
67.01859	1.9
69.44710	2.0
69.45119	5.1
70.67439	1.1
92.71957	1.3
93.03479	1.2
95.01423	2.7
95.05727	1.2
97.02925	1.3
107.01398	3.9
108.02170	7.7
109.02943	2.3
111.00861	4.1
119.05045	2.0
121.02938	2.0
122.03796	1.7
123.00906	12.4
123.04533	14.8
124.01664	2.9
125.02460	16.5
126.02690	1.5
135.00909	6.7
137.02460	1.6
138.03201	4.1
139.00403	6.9
139.03978	5.7
140.01210	2.8
148.87416	1.5
149.02382	1.6
150.03169	3.4
151.00336	4.2
153.01956	26.8
153.05545	3.7
163.00385	81.9
165.01936	1.7
166.02687	2.5
166.99823	1.5
167.03502	3.2
167.07153	15.4
168.00629	4.6
169.01445	14.2
174.73553	1.2
178.02724	88.0
179.03313	4.6
179.46361	1.4
181.01437	44.8
182.02057	1.9
183.06627	27.4
184.07030	1.4
193.05074	59.3
194.05446	1.2
195.03008	2.0
196.03804	9.7
197.04315	1.4
197.06116	2.0
197.35085	1.2
197.82008	1.3
205.07397	1.4
211.02522	9.7
211.06122	100.0
212.06459	2.4
214.04712	1.3
221.90109	1.2
226.04875	13.9
241.03114	7.2
241.05151	3.7
241.07175	44.6
241.10889	4.9
241.21756	2.1
241.53802	1.4
242.07460	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1083
Annotation	1-Acetoxy-7-hydroperoxy-3,7-dimethyl-2E,5E-octadien-4-one
Peak:m/z	Relative Intensity
51.91222	1.3
52.05718	1.6
57.03446	5.2
59.01384	100.0
68.48147	1.5
83.05016	1.7
89.39574	1.5
99.04539	5.3
119.08662	3.8
122.70793	1.3
137.09708	7.4
141.07170	1.9
143.05057	3.4
163.07758	1.9
167.05124	1.6
169.01471	2.5
171.04532	5.0
173.06084	3.6
179.10774	6.5
181.08714	24.5
181.10249	1.6
185.06053	10.2
195.04547	5.3
196.05315	2.7
197.06122	6.5
197.11832	36.8
199.03995	7.3
207.10242	1.5
212.04848	2.6
213.05579	14.5
240.04343	1.8
241.05104	25.2
241.10826	15.9
241.14406	2.8
241.18135	1.5
243.91112	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	243.0624
Annotation	Uridine
Peak:m/z	Relative Intensity
50.84541	1.5
54.40150	1.3
55.01893	1.4
57.73325	1.2
59.01378	3.4
60.84137	1.5
62.38144	1.3
65.85682	1.2
66.03497	16.2
67.90857	1.3
71.01414	1.9
72.13852	1.3
82.02988	28.4
83.01389	1.6
94.03001	3.2
97.30352	1.3
101.02457	1.4
106.60342	1.5
108.04572	3.6
110.02487	100.0
110.65768	1.3
111.02023	6.3
111.02711	1.4
112.98849	2.2
117.01942	1.6
122.02488	7.5
124.04079	2.0
132.98177	1.8
140.03537	10.7
146.99815	2.7
152.03557	20.1
153.03036	8.0
157.03615	1.8
174.99271	5.0
183.01480	2.7
200.05669	35.2
201.05873	1.4
205.83347	1.3
243.03912	2.9
243.06264	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0662
Annotation	3,3',4,5'-Tetrahydroxy-trans-stilbene
Peak:m/z	Relative Intensity
57.03446	0.3
74.98071	0.3
81.03453	0.6
82.20232	0.2
83.47144	0.2
93.03447	0.3
96.96056	0.5
98.22572	0.4
107.05037	1.0
108.02141	0.3
109.02957	0.8
115.05523	0.5
129.07120	0.9
130.04282	0.5
131.05035	1.3
133.02980	1.0
135.04526	2.2
137.02493	0.3
140.87317	0.2
141.03494	0.3
141.07133	0.7
143.05051	1.5
144.05818	0.2
145.06602	1.0
147.08182	0.4
153.07077	0.4
155.05025	0.4
156.05869	0.5
157.06590	2.1
158.03760	1.4
159.04526	33.3
160.04872	1.1
161.02435	1.4
164.03477	0.3
169.06534	0.3
171.04530	0.7
171.08141	0.7
172.05261	2.1
173.06094	6.0
175.07645	6.7
176.07910	0.3
181.06613	1.7
183.04565	2.0
184.05222	0.5
185.02429	0.3
185.06042	1.7
197.06120	1.8
198.06876	0.9
199.03990	0.8
199.07648	6.0
200.04756	1.3
201.05583	20.9
202.05908	0.8
213.05554	0.4
214.06262	0.3
215.07155	1.3
224.04808	0.4
225.05579	4.4
228.04320	0.6
241.05106	0.8
243.06628	100.0
244.06978	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	243.0663
Annotation	3,3',4,5'-Tetrahydroxy-trans-stilbene
Peak:m/z	Relative Intensity
59.01382	1.6
66.56559	0.3
69.02832	1.7
69.03258	1.2
81.03455	0.5
105.67966	0.3
107.05016	0.9
109.02939	0.7
111.10033	0.3
115.05507	0.4
129.07123	0.5
129.88908	0.4
130.04259	0.6
131.05075	1.7
133.02946	1.2
135.04576	2.0
139.07657	0.3
139.11342	0.7
141.03441	0.5
141.07127	0.6
143.05009	1.5
145.06581	1.0
146.44670	0.3
157.06561	1.4
158.03731	1.2
159.04526	31.5
160.04848	0.8
161.02452	1.7
169.06677	0.4
171.04462	0.6
171.08192	0.5
172.05278	1.9
173.06104	5.7
175.07645	6.3
181.06657	1.8
181.12251	0.8
183.04532	1.2
183.10301	1.1
184.05319	0.8
185.06065	2.0
196.05290	0.5
197.06068	1.9
198.06810	1.2
199.03964	0.9
199.07666	5.1
199.13383	0.6
200.04750	1.2
200.07997	0.5
201.05582	19.4
202.05925	0.9
204.04243	0.3
213.05563	0.7
215.07144	1.0
215.52162	0.3
225.05573	4.8
226.05817	0.4
228.04413	0.4
241.05244	0.5
242.05443	1.1
243.06622	100.0
244.06950	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0664
Annotation	3,3',4,5'-Tetrahydroxy-trans-stilbene
Peak:m/z	Relative Intensity
59.01381	0.4
65.03947	0.3
66.07792	0.3
81.03466	0.5
93.03459	0.4
94.03674	0.3
104.14475	0.3
107.05061	0.9
108.02229	0.3
109.02975	1.7
115.05551	0.5
121.03033	0.5
129.07132	1.1
130.04266	0.7
131.05040	1.6
133.03018	1.4
135.04549	2.6
137.13484	0.2
141.03519	0.4
141.07117	0.8
143.05009	1.6
143.08720	0.3
145.06628	1.0
147.04405	0.4
147.08142	0.3
153.07108	0.3
155.05058	0.7
156.05792	0.4
157.06599	2.6
158.03732	1.5
159.04532	38.1
160.04964	1.1
161.02435	1.6
169.06586	0.5
170.07527	0.4
171.04568	0.8
171.08141	0.8
172.05278	1.9
173.06087	7.0
175.07668	7.2
177.31836	0.3
178.83698	0.3
180.05869	0.6
181.06641	1.6
183.04510	2.1
184.05325	0.6
185.06049	1.6
187.07683	0.6
196.05350	0.5
197.06068	1.8
198.06969	1.3
199.04007	0.9
199.07666	5.7
200.04776	1.3
201.05591	21.7
201.64520	0.3
202.05922	0.6
213.05508	0.3
215.07205	1.1
224.04842	0.3
225.05579	4.9
228.04320	0.6
241.05098	1.3
243.06630	100.0
244.06984	3.7
263.82187	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.066
Annotation	3,3',4,5'-Tetrahydroxy-trans-stilbene
Peak:m/z	Relative Intensity
65.91709	0.2
69.59991	1.2
81.03463	0.5
93.03497	0.3
98.22468	0.4
107.05044	1.0
109.02962	0.9
115.05537	0.3
121.02970	0.3
129.07115	0.9
130.04257	0.7
131.05045	1.4
133.02985	1.6
134.03728	0.3
135.04533	2.2
137.02449	0.3
141.03459	0.4
141.07132	0.6
143.05013	1.5
145.06587	0.8
147.08160	0.3
155.05032	0.4
156.05849	0.4
157.06601	1.9
158.03734	1.4
159.04527	32.8
160.04878	1.0
161.02464	1.6
169.06592	0.2
171.04585	0.3
171.08163	0.8
172.05338	1.6
173.06082	5.9
175.07651	6.2
180.05795	0.5
181.06633	1.4
182.03801	0.2
182.07150	0.2
183.04523	2.2
184.05238	0.4
185.02538	0.3
185.06059	1.7
187.07758	0.2
191.07094	0.3
192.33748	0.2
197.06133	1.8
198.06882	1.2
199.04070	0.7
199.07643	5.4
200.04825	1.2
201.05583	21.2
202.05916	0.9
213.05573	0.6
215.07140	1.0
224.04755	0.3
225.05579	4.5
236.76271	0.3
241.05055	0.8
243.06624	100.0
244.06935	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	243.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.5
59.01382	76.6
59.82323	1.5
67.29291	1.3
67.42068	1.4
69.42113	7.1
73.02941	3.4
98.21887	3.0
103.46087	1.3
111.08138	1.5
125.09714	2.1
139.11296	45.7
140.11626	2.5
159.04527	7.0
163.11229	2.8
165.09114	1.6
169.96600	1.4
181.12349	31.3
183.10271	71.0
184.10588	2.3
185.40013	1.6
198.76794	1.3
199.07576	2.3
199.13426	27.3
201.05571	4.9
201.11276	3.3
207.10304	5.2
214.99727	1.4
225.11351	39.3
226.11662	2.2
242.55054	1.3
243.02956	5.5
243.06700	21.7
243.12366	100.0
244.07066	1.9
244.12672	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	243.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07726	0.9
59.01373	1.6
61.67981	0.8
63.31873	0.9
67.84295	1.0
71.05015	2.2
71.29185	1.4
73.02955	1.6
83.05027	2.6
90.81730	1.0
97.02952	3.5
97.06596	1.4
99.00887	14.8
103.46255	1.0
110.03750	1.5
111.04567	1.0
125.09697	6.5
152.94212	0.8
153.12878	0.9
155.14389	2.0
163.11324	6.6
181.12363	17.6
189.91562	1.0
197.11911	1.2
199.13409	17.0
207.10275	34.3
225.11327	71.7
226.11656	2.7
243.12381	100.0
244.12732	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08471	1.1
57.03451	1.6
59.01378	6.4
69.93093	1.2
71.05014	5.3
71.29804	1.8
79.87789	1.2
83.05021	2.0
97.02963	7.5
97.06584	2.2
97.78799	1.4
98.21916	1.5
99.00885	27.2
109.06621	2.1
109.52643	1.6
110.03754	3.3
123.08182	1.5
125.09737	8.2
127.07631	1.7
142.02768	2.2
163.11256	11.6
181.12350	27.9
183.10327	1.8
199.13403	22.5
207.10274	50.2
208.10605	3.2
224.35487	1.7
225.11325	99.8
226.11610	3.6
243.03098	2.9
243.06720	4.1
243.12373	100.0
244.12737	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	243.124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66883	0.6
58.00576	0.8
59.01387	5.4
69.11299	3.3
69.11721	1.9
71.01387	0.7
73.96562	0.7
81.26280	0.7
83.05070	0.8
93.14443	0.7
97.02942	4.8
99.00905	4.0
109.06604	1.1
110.03747	1.5
113.36215	0.6
125.09742	4.1
127.11285	3.0
136.05304	0.9
142.02713	1.8
155.10799	1.6
163.11299	5.4
165.09224	1.1
171.10291	0.8
181.12349	23.2
182.12625	0.7
183.10236	3.5
197.11865	1.3
199.13362	2.1
201.11325	15.8
207.10272	35.1
208.10683	1.0
215.12885	2.5
225.11330	100.0
226.11685	3.8
243.06845	0.9
243.10034	1.5
243.12366	19.1
244.12697	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1601
Annotation	1,11-Undecanedicarboxylic acid
Peak:m/z	Relative Intensity
51.71693	0.7
59.01392	0.7
69.60484	3.3
71.87136	0.7
81.80367	0.7
85.00430	1.1
98.22461	0.9
110.02489	1.3
159.62337	0.6
181.15999	43.4
182.16263	1.2
187.98311	0.9
199.17039	1.7
225.14977	58.7
226.15308	1.8
230.27393	0.7
243.16011	100.0
244.16460	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	245.0816
Annotation	Fraxinellonone
Peak:m/z	Relative Intensity
54.45776	0.2
57.03448	1.7
57.42171	0.1
59.01369	0.5
65.00319	1.6
67.01897	0.2
71.71210	0.2
73.02952	0.2
79.95741	0.4
80.02688	0.6
81.03464	4.8
83.05035	0.3
85.02950	0.3
87.00864	0.2
87.05802	0.2
89.04000	0.2
91.01900	0.2
93.03454	1.3
95.01393	0.2
95.05034	3.8
97.02950	2.1
104.48771	0.2
107.05050	0.3
108.02177	0.4
109.02954	7.4
109.67262	0.2
115.05537	0.3
116.12751	0.2
117.03488	0.7
118.84422	0.2
119.05022	0.9
121.02961	3.5
122.03747	0.7
123.04540	5.8
129.03554	0.2
129.07079	0.3
131.05046	1.0
133.02977	1.1
133.06587	0.5
135.04520	1.4
137.02426	0.3
139.04021	1.3
143.05006	0.9
144.05743	0.2
145.02965	2.7
145.06638	0.2
146.03745	3.5
147.00932	0.2
147.04550	3.1
147.08157	0.4
149.02451	1.4
150.03212	0.5
151.03990	0.2
154.02704	0.2
156.05821	0.2
157.03027	0.2
157.06609	1.8
158.03722	1.4
159.04524	11.5
160.05304	3.6
161.02463	2.5
161.06091	12.5
162.03242	2.9
162.06412	0.4
163.04039	1.0
165.01941	1.4
165.05620	0.5
171.04543	0.3
172.05354	0.6
173.02461	2.4
173.06082	3.9
174.03227	2.9
174.06848	1.1
175.04015	8.4
175.07640	8.0
176.04344	0.4
177.05585	0.2
183.03009	0.2
183.04459	0.9
184.05301	1.2
185.06100	2.2
186.06860	0.4
187.04013	15.9
188.04796	13.1
189.01958	3.1
189.05377	0.7
197.06047	0.3
199.03989	0.2
199.07674	2.8
201.01906	1.6
201.05598	3.6
201.09253	0.2
202.06364	5.8
203.03694	2.3
203.07146	33.3
204.07455	1.1
209.06093	0.3
209.85577	0.2
211.04004	0.4
212.04800	3.0
213.05193	0.2
216.04150	0.2
217.01440	4.4
217.04967	1.5
217.08673	2.0
227.03555	0.5
227.07146	7.8
228.07590	0.2
230.05872	2.1
245.00954	6.6
245.04295	4.0
245.08188	100.0
246.01376	0.4
246.04828	0.3
246.05820	0.3
246.08490	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	245.0821
Annotation	Torachrysone
Peak:m/z	Relative Intensity
53.17348	0.1
55.22448	0.1
57.03448	2.1
58.54468	0.1
59.01373	0.4
65.00311	0.3
67.01899	0.3
71.01389	0.2
79.95727	0.3
80.02699	0.5
81.03464	5.2
83.05016	0.3
85.02957	0.3
89.13261	0.1
93.03478	1.1
95.01397	0.3
95.05035	3.9
96.95989	0.3
97.02959	1.4
107.05021	0.2
108.02173	0.7
109.02966	7.9
115.05527	0.4
117.03471	0.3
119.05070	0.5
121.02971	2.8
122.03825	0.7
123.04537	5.1
124.01694	0.2
130.04214	0.3
131.05051	0.8
133.02968	0.6
133.06628	0.5
135.04530	1.3
137.02487	0.4
137.41208	0.2
139.04034	1.3
143.05049	0.9
144.05872	0.3
145.02962	1.6
145.06593	0.4
146.03748	3.6
147.04538	2.7
147.08186	0.3
149.02458	1.6
150.03224	0.7
151.04089	0.2
156.05800	0.3
157.02869	0.2
157.06592	1.8
158.03717	1.4
159.04527	11.3
159.08110	0.4
160.05305	3.7
161.02492	1.2
161.06094	13.4
162.03227	2.6
162.06369	0.4
163.03986	0.5
171.04553	0.3
172.05325	0.4
173.02496	1.4
173.06097	4.6
174.03224	2.9
174.06876	0.9
175.04022	8.4
175.07645	8.5
176.01077	0.1
176.04414	0.3
176.08025	0.3
177.01979	0.5
177.05637	0.2
181.06688	0.3
183.04483	0.7
183.08067	0.2
184.05298	1.2
185.06113	2.8
186.06825	0.3
187.04019	15.7
188.04797	13.5
189.01985	0.3
189.05273	0.9
192.65192	0.2
197.06146	0.3
197.55388	0.2
199.03908	0.2
199.07669	3.1
201.01945	1.5
201.05576	3.4
201.09232	0.5
202.02621	0.2
202.06378	6.6
203.03500	1.9
203.07150	36.4
204.07469	1.2
209.06039	0.3
211.03967	0.5
212.04823	3.5
215.03496	0.2
216.04163	0.2
217.01390	0.5
217.05142	1.4
217.08659	2.0
218.05617	0.2
225.05681	0.2
226.06352	0.5
227.03487	0.6
227.07149	6.9
228.07605	0.3
229.05043	0.2
230.05826	2.2
245.04262	3.1
245.08194	100.0
246.08542	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	245.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.1
61.42377	0.2
65.00325	1.3
67.01889	0.4
69.26316	1.4
80.02687	0.6
81.03463	5.4
83.05034	0.3
93.03442	1.2
94.01810	0.3
95.05030	3.4
97.02959	0.9
105.81516	0.2
108.02187	0.6
109.02959	7.7
117.03485	0.8
117.07101	0.2
119.05052	0.6
121.02972	3.7
122.03723	0.9
123.04539	5.6
130.04211	0.2
131.05034	0.8
133.02942	1.0
133.06596	0.6
135.04515	1.2
137.02409	0.3
139.04018	1.3
143.05019	0.8
145.02991	2.3
145.06595	0.3
146.03757	3.1
147.04535	2.9
149.02454	1.6
150.03178	0.5
156.05869	0.3
157.06584	1.5
158.03743	1.4
159.04526	11.8
159.08151	0.6
160.05310	3.9
161.02496	1.7
161.06091	12.1
162.03217	2.8
162.06435	0.3
163.03999	0.9
171.04518	0.3
172.05301	0.4
173.02486	1.4
173.06093	4.4
173.39575	0.2
174.03198	3.0
174.06792	1.2
175.04013	8.5
175.07631	8.8
176.04231	0.3
183.04488	0.9
183.08089	0.2
184.05319	1.2
185.06129	2.6
186.06836	0.5
187.04021	15.5
188.04799	13.3
189.01945	2.2
189.05447	0.5
199.03795	0.3
199.07677	2.7
201.01930	1.1
201.05553	3.3
201.09258	0.4
202.06366	5.6
203.03490	2.0
203.07144	34.7
204.07465	1.1
209.06123	0.4
211.03972	0.6
212.04750	3.1
217.01453	3.4
217.04901	1.4
217.08667	2.0
227.03619	0.4
227.07149	6.6
228.07343	0.4
230.05872	2.5
245.01161	4.5
245.08188	100.0
246.08542	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	245.1396
Annotation	CHEBI:78812
Peak:m/z	Relative Intensity
57.03439	2.3
59.01384	0.9
68.67229	0.7
71.05017	2.7
75.00861	1.7
83.05030	0.7
84.47500	0.7
85.57981	0.7
87.89577	0.8
97.06596	0.8
97.13675	1.0
111.08160	3.3
125.09756	1.9
155.14439	2.5
163.11214	1.2
165.12854	21.5
181.12393	1.2
183.13907	21.4
187.09740	1.5
201.14954	12.7
209.11855	17.8
210.12325	1.1
225.11414	1.2
227.12909	58.9
228.13174	2.0
245.13937	100.0
246.14311	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	245.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73120	1.0
52.37085	1.3
54.55841	1.0
59.01385	24.3
62.68141	1.1
71.29626	1.4
73.87394	1.0
88.54260	1.1
96.95998	1.1
105.90641	1.1
111.54659	1.3
135.84286	1.1
159.04562	1.1
165.12912	2.3
166.05084	7.8
183.13904	26.7
185.11842	100.0
186.12183	3.0
227.12920	12.4
245.04694	1.9
245.08391	1.6
245.13945	45.6
246.14322	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	246.9885
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84643	0.5
63.02411	0.6
65.00317	0.7
69.73227	0.3
72.64714	0.3
75.02410	1.8
79.01880	0.8
81.66673	0.4
91.01899	15.2
93.03477	1.0
93.59304	0.4
95.01411	0.6
119.01393	15.6
121.02972	1.9
131.01428	0.6
147.00891	35.4
148.01213	1.0
165.01915	0.9
175.00372	18.1
176.00899	0.7
190.99892	1.8
191.07117	0.5
202.99872	68.3
204.00142	2.3
204.04317	0.6
219.06648	3.0
219.10039	0.4
245.67633	0.4
246.98842	100.0
247.99135	3.4
248.10455	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.9918
Annotation	Unknow
Peak:m/z	Relative Intensity
61.41801	0.3
65.00291	0.3
69.06580	0.8
69.06995	1.7
71.41376	0.3
72.08684	0.3
72.89581	0.3
74.97478	0.3
75.80689	0.3
85.43040	0.3
95.85606	0.3
96.02182	0.3
107.28626	0.3
121.42552	0.3
124.01674	6.1
139.04028	1.1
151.08479	0.3
152.01160	34.7
153.01550	0.6
165.01917	2.0
167.03505	100.0
168.03874	2.2
246.99182	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	247.0248
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53009	0.1
63.43645	0.1
69.03439	0.2
83.01363	0.1
91.05565	0.3
93.03474	0.5
94.64928	0.1
95.01381	0.3
97.02958	0.9
105.03470	0.6
107.05032	0.5
109.02998	0.2
117.03465	0.4
119.05045	2.1
121.02955	0.6
129.03481	0.3
131.05037	0.4
133.02950	0.5
135.04543	1.6
139.04002	0.3
145.02979	3.0
146.03691	0.3
147.04527	4.1
149.02466	1.7
158.03679	0.2
159.04488	0.5
161.02454	0.7
162.03139	0.3
163.03996	2.8
173.02458	4.0
174.03194	0.8
175.04022	4.0
176.01152	0.6
176.04425	0.2
177.01927	0.5
189.01909	0.4
190.02731	4.2
190.05363	0.2
191.03510	14.6
192.00641	0.4
192.03844	0.4
201.01976	0.9
202.02666	0.2
203.03493	2.1
205.01480	0.5
205.07637	0.3
217.01428	0.2
218.02248	0.5
219.02997	5.2
220.03339	0.2
229.01422	0.4
246.01729	0.7
247.02477	100.0
248.02826	4.0
248.34143	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.4
60.62069	0.2
62.33684	0.2
65.00325	0.7
68.99854	0.3
70.63224	0.4
70.63573	0.5
72.55123	0.2
77.03967	0.4
89.03981	0.4
91.05545	3.0
93.03487	1.0
95.01383	0.6
101.03956	0.5
102.04762	0.6
103.05549	2.6
105.03469	17.2
107.05043	0.5
115.05547	1.3
117.03508	0.6
119.01385	0.8
119.05038	10.1
121.02953	2.7
121.06617	0.5
123.00876	0.4
123.04546	0.3
129.03461	0.5
130.04248	2.2
131.05043	5.8
132.02188	2.0
133.02988	1.5
135.04570	0.5
135.70766	0.3
145.02983	1.5
146.03720	1.0
147.00912	0.6
147.04535	26.9
148.04845	0.4
149.02466	1.6
149.06093	0.3
157.02985	0.7
158.03754	4.4
159.04521	8.3
160.01677	1.3
160.04904	0.6
161.02432	1.4
163.04021	0.6
167.03525	0.9
173.02460	1.6
174.03227	1.5
175.04012	100.0
176.04356	3.2
177.05551	3.1
178.05865	0.2
188.04701	0.3
190.02768	0.6
191.03528	3.2
201.01942	0.9
202.02655	0.4
203.03510	57.3
204.03871	1.4
218.99336	0.9
219.03000	1.1
221.02388	0.3
221.04556	5.1
225.13623	0.3
229.01408	0.5
247.02483	27.7
247.11911	0.4
248.02817	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1703
Annotation	4-Methoxy-1,9-cadinadien-3-one
Peak:m/z	Relative Intensity
51.26849	0.1
60.01324	0.1
85.82903	0.1
153.18253	0.1
167.40630	0.1
174.11362	0.1
205.16083	0.2
207.16644	0.1
220.17081	0.9
231.13927	0.6
232.14534	0.2
232.44389	0.1
247.17039	100.0
248.17374	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	248.9711
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93853	0.5
59.01382	1.2
69.03455	1.5
71.01385	1.2
71.27411	0.7
73.02938	0.6
78.95881	0.9
79.95744	0.6
81.03464	0.9
85.02936	0.7
87.00859	0.6
95.01447	0.6
95.19460	0.5
96.96008	5.6
97.02956	0.8
107.01398	0.8
111.00899	1.9
123.00895	1.9
123.08147	0.5
124.01660	0.7
125.02454	61.8
126.02795	1.4
127.39883	0.6
131.08340	1.2
133.02931	0.7
161.02522	0.8
169.01436	100.0
170.01810	1.5
173.10445	0.8
174.20605	0.6
177.02003	0.8
189.07811	0.8
190.93901	0.5
203.03433	0.6
203.66672	0.5
204.98061	3.3
205.01401	0.7
231.08730	1.2
234.11414	0.8
248.97108	18.5
249.04015	2.1
249.09889	1.8
249.14873	0.9
250.14461	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	249.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.4
57.03454	4.4
58.00603	1.8
59.01384	30.7
59.69291	0.3
61.58152	0.3
61.65512	0.3
67.01893	3.6
68.81881	0.3
68.99824	10.9
69.03464	6.9
70.92839	0.5
71.01388	46.6
72.01735	0.5
72.63441	0.3
72.99313	10.2
73.02951	5.8
75.00878	32.7
81.03461	2.3
83.01402	3.0
83.05039	1.4
84.02188	0.5
85.02959	24.9
86.00114	0.5
86.90439	0.3
87.00884	11.0
88.04968	0.3
89.02455	8.6
91.04012	2.6
93.03461	3.2
95.01393	7.3
95.94329	0.3
97.02957	1.6
99.00889	14.2
101.02454	0.5
103.00372	2.5
103.04053	1.2
108.02209	0.3
109.02956	1.5
111.00886	3.2
111.04552	1.4
111.81226	0.2
112.01675	1.1
113.02463	27.5
114.02708	0.4
115.00375	3.0
115.04023	1.1
117.01954	6.0
121.02967	0.5
123.04565	0.3
125.02423	0.3
127.03989	0.4
129.01958	3.2
130.99881	0.8
131.03456	0.3
133.02972	0.3
133.05093	0.8
139.00398	0.7
143.03590	0.3
147.04498	0.5
157.01424	1.5
161.02464	0.8
162.03264	1.2
164.07159	0.5
169.05060	0.6
175.02509	2.5
177.01965	0.4
181.34639	0.3
189.04082	2.5
190.02773	1.6
205.01440	0.5
205.05063	0.8
206.08171	0.4
230.99362	0.4
231.02908	0.7
231.05077	5.2
249.06171	100.0
250.06506	2.9
250.14447	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	249.111
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01964	4.4
67.19732	3.9
69.04444	34.4
72.27696	3.6
81.86876	3.4
144.02370	3.6
160.89069	3.6
160.98874	4.6
163.99854	3.4
177.01793	4.0
181.12309	8.8
205.12277	7.3
213.83591	3.8
219.10103	7.1
223.13168	19.2
233.08025	5.9
235.09583	6.7
237.11066	15.3
249.07762	8.3
249.11075	37.1
249.14958	18.4
250.14510	100.0
265.10495	5.5
267.12097	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	249.1134
Annotation	Trolox
Peak:m/z	Relative Intensity
50.95417	0.5
54.24304	0.7
56.27689	0.6
57.58665	0.6
70.32757	0.6
71.28566	1.2
91.57504	0.6
98.73732	0.7
102.94221	0.7
110.37314	0.5
111.87849	0.6
113.06720	0.6
129.75298	0.6
134.03748	0.6
136.99649	0.6
175.07654	6.5
189.09229	10.0
190.10054	3.8
193.08684	0.8
205.16003	0.6
217.08682	11.1
218.11929	1.0
221.15474	1.2
229.65997	0.7
233.08154	0.8
234.08882	0.6
249.11333	100.0
250.11687	5.1
250.14496	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	249.1498
Annotation	Hebelophyllene A
Peak:m/z	Relative Intensity
56.39114	0.3
56.94080	0.3
59.01376	0.6
60.47749	0.4
69.03471	2.3
69.17228	1.5
69.17628	0.6
70.84817	0.3
79.05531	1.3
93.07139	0.5
95.05042	1.0
97.06596	0.4
98.21779	0.5
107.05050	1.6
109.06592	1.2
111.04504	1.7
117.07123	0.6
118.07201	0.3
123.04564	1.1
125.06112	0.4
131.55423	0.4
135.08148	1.8
137.09772	0.5
151.04042	2.0
163.03926	0.4
166.06361	3.7
175.11270	1.9
177.01965	1.0
177.09189	1.0
179.07152	28.7
180.07552	1.1
181.08694	4.3
186.80186	0.3
187.14999	0.5
191.07141	5.2
193.08664	0.7
203.07101	1.6
205.01453	0.5
205.08823	0.8
205.12343	0.9
205.15999	1.3
219.10233	8.0
220.10674	0.6
221.08212	7.9
221.15506	1.0
231.06650	0.5
231.13898	1.6
234.12668	5.8
249.07703	15.2
249.11235	3.1
249.14967	100.0
250.07962	0.7
250.14629	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	251.056
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99618	0.2
55.01877	0.5
59.01387	1.3
68.99807	0.6
69.03455	0.6
69.41118	0.5
69.41527	0.9
70.84595	0.2
71.01382	1.6
71.05018	1.9
72.99301	0.3
73.02944	0.7
80.02668	0.3
81.03462	18.4
83.01398	3.0
84.02161	0.5
85.02954	0.8
85.31960	0.3
87.00879	11.4
89.02454	0.5
90.98631	0.3
93.03474	0.3
95.01379	0.4
95.05033	9.3
95.05645	0.5
96.96046	0.3
97.02955	6.2
98.22569	0.3
99.00888	0.3
99.04524	18.8
100.04901	0.3
101.02448	1.0
101.04310	1.9
102.22414	0.3
105.03450	0.4
108.02164	0.3
110.34012	0.2
111.00916	0.2
113.02460	0.7
119.05215	0.2
120.99678	1.2
121.02962	0.4
123.04529	7.1
124.01675	0.4
125.02459	5.6
133.02948	0.5
135.04535	1.5
137.02472	0.4
137.06139	0.4
139.04019	5.5
139.05031	0.4
149.02441	0.9
149.06200	0.3
161.02440	0.6
161.04562	0.5
163.04245	2.3
163.07806	0.3
164.04726	0.3
165.01938	0.3
165.05569	0.3
167.03503	100.0
167.33719	0.3
168.03827	2.4
177.05594	0.7
179.03502	0.8
191.03479	0.3
192.08015	0.3
207.06651	0.3
207.10329	0.4
209.04480	0.4
219.12263	0.3
221.01031	0.2
233.04623	0.3
236.06866	0.5
250.14510	1.0
251.05685	4.8
251.09450	1.6
251.12523	0.3
251.14850	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	251.0924
Annotation	CHEBI:69186
Peak:m/z	Relative Intensity
65.00310	0.5
68.99826	2.0
69.18016	0.7
69.18414	1.8
71.05026	0.5
77.03964	0.4
79.01894	4.0
81.03464	1.5
95.05035	1.6
97.02982	1.6
98.53391	0.3
99.08168	0.7
101.06038	0.3
103.01918	0.9
105.03476	0.8
121.02965	0.9
123.04519	1.0
123.08188	0.5
125.02476	0.4
125.05154	0.4
125.06084	8.8
136.05357	0.3
137.09743	2.0
139.04037	2.7
149.02406	0.9
149.06071	0.9
161.02425	0.3
161.09723	3.0
162.03210	0.5
163.04007	0.9
163.07648	0.4
165.01947	2.4
166.02751	0.5
167.03502	4.3
177.09193	0.6
177.99039	0.3
179.10779	4.7
179.28200	0.3
180.11292	0.3
181.08794	0.3
187.07689	0.9
190.06444	0.4
190.99838	2.2
193.01411	6.1
194.01860	0.4
205.08704	5.4
206.02228	6.3
207.02959	3.5
207.10306	0.7
218.05893	0.4
220.03761	0.4
223.09756	4.2
231.06636	1.1
233.08206	2.8
249.07695	28.7
250.07999	1.3
251.09253	100.0
252.09578	4.2
273.62885	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.8
69.74175	1.0
71.05025	16.7
77.03999	0.2
78.93699	0.3
79.01884	0.7
83.01396	0.8
95.05046	1.4
97.02960	6.8
105.83662	0.3
111.04527	4.3
121.02974	0.6
125.99500	0.2
128.88855	0.2
128.99954	0.2
139.04022	100.0
140.04338	2.0
163.04068	0.7
165.01909	0.5
165.09131	0.3
179.07095	0.5
181.05058	0.4
181.08746	0.5
190.47868	0.3
192.07994	0.3
193.08755	0.3
207.10300	0.7
207.13957	0.3
251.09270	7.3
251.12701	0.6
251.14503	0.5
251.16974	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	251.0927
Annotation	CHEBI:69186
Peak:m/z	Relative Intensity
50.18092	0.6
55.01867	1.8
57.03444	1.2
59.01368	1.0
68.99802	0.7
70.61769	1.5
71.01372	0.6
71.05018	1.5
73.02970	0.6
79.01894	1.2
80.02673	1.4
81.03464	4.0
83.01386	2.5
83.05022	2.3
85.06594	1.9
87.04538	2.6
93.03458	1.4
95.05018	5.9
97.02956	1.2
97.06645	0.6
107.05045	1.3
108.02189	1.9
109.02959	1.2
109.06599	11.9
111.04523	17.5
113.06098	2.6
119.05054	1.2
121.02953	2.3
121.06629	1.6
123.08167	7.7
125.02458	0.6
125.06090	4.7
135.04539	1.9
135.08173	0.9
136.05295	1.8
137.02487	1.3
137.06105	6.9
137.09717	1.1
139.04019	25.2
141.09158	0.6
149.06029	0.9
150.06860	6.6
151.07690	4.6
152.04819	0.9
153.05586	2.5
161.09694	0.8
163.04015	1.5
163.07674	1.6
163.11302	0.9
164.04793	1.0
165.01970	0.9
165.05495	0.7
165.09221	1.8
167.07130	3.4
168.82001	0.6
177.09180	1.8
179.03485	1.1
179.07181	2.6
179.10796	10.8
180.04280	0.6
181.05075	22.3
181.08640	1.1
182.05431	0.6
189.09206	3.1
189.12817	1.3
190.02756	0.9
193.05009	1.1
195.06572	0.7
196.63194	0.6
205.08728	1.3
206.99544	0.6
207.06847	0.6
207.10231	7.6
207.13896	1.8
208.07417	1.1
219.12175	0.5
223.09709	3.8
233.08139	0.9
251.09251	100.0
251.12808	11.7
251.14868	5.2
251.16653	3.0
252.09564	4.5
252.13194	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0926
Annotation	CHEBI:69186
Peak:m/z	Relative Intensity
57.03461	0.8
59.01379	1.1
63.69783	0.5
68.99807	1.7
71.01352	0.7
71.05029	1.3
71.28391	0.8
75.89104	0.6
79.01892	2.6
81.03445	2.0
82.98145	0.6
85.02948	0.9
95.05029	2.8
97.02965	1.4
99.08169	1.1
103.01930	0.9
111.04527	0.8
116.68616	0.6
121.02953	1.2
123.04495	1.7
123.08108	1.2
125.02463	0.7
125.06098	9.9
134.36443	0.7
137.09702	3.8
139.04013	3.5
149.02428	0.8
149.06068	1.0
161.09698	2.7
162.03310	0.6
163.04013	1.0
165.01945	1.9
166.02701	0.7
167.03497	3.8
177.09187	0.7
179.10783	4.0
181.08665	1.3
187.07639	0.7
189.71683	0.6
190.99870	2.1
193.01372	4.9
205.08699	5.0
206.02252	4.9
207.02991	2.0
207.10262	1.6
207.13936	2.6
209.08214	0.8
220.03845	1.2
223.09712	4.0
233.08197	4.0
249.07692	25.3
249.10289	1.2
250.08002	0.9
251.09258	100.0
251.12622	3.4
251.14427	6.7
251.16673	3.7
252.09630	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	251.0926
Annotation	Dihydrocitrinin
Peak:m/z	Relative Intensity
69.33356	3.4
90.11180	0.5
98.21821	0.6
112.47637	0.7
115.89403	0.6
161.09697	1.8
163.11298	100.0
164.11638	3.9
166.06697	0.6
189.09276	0.9
189.12860	2.4
207.10280	52.8
207.13867	2.4
208.10651	1.5
222.41753	0.7
228.40671	0.6
251.09256	15.5
251.12790	3.7
251.14969	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	251.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49930	1.5
54.07364	1.7
55.01876	9.8
57.03445	5.2
59.01382	83.6
69.05842	14.5
71.01387	100.0
72.99322	4.6
73.02953	32.4
74.33132	1.7
75.00889	2.9
83.01399	14.7
85.02959	49.4
87.00872	4.5
87.04552	1.9
89.02452	21.1
95.01402	8.6
97.02946	3.1
98.21745	3.4
99.00870	11.7
101.02454	85.3
113.02456	39.4
119.03542	5.2
124.55746	1.6
125.02423	2.6
129.01872	2.1
143.03513	4.4
156.34637	1.9
157.83885	1.5
159.03009	8.4
159.47614	1.8
161.04561	39.5
161.61162	1.5
162.20949	1.7
163.02472	3.4
165.00465	3.2
205.03577	1.7
207.01379	2.0
251.00493	2.3
251.05818	2.2
251.11363	19.0
251.14839	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	8.7
57.03445	5.0
58.00594	5.4
59.01384	87.8
61.83630	1.4
69.45976	8.5
71.01386	100.0
72.99299	5.3
73.02951	29.7
75.00881	2.8
83.01394	15.9
85.02959	46.5
87.00890	6.2
87.86344	1.5
89.02448	30.5
89.06078	2.3
95.01399	9.8
97.02946	3.2
99.00871	11.6
100.50192	1.7
101.02448	92.4
101.72353	1.6
113.02460	43.7
119.03476	9.3
125.02527	2.0
143.03519	3.3
159.03046	7.5
161.04564	35.5
163.04362	3.8
169.44972	1.8
191.43039	1.4
251.05867	3.3
251.11340	21.4
251.14908	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	251.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94770	1.5
55.01882	10.5
57.03436	7.0
58.00580	2.5
59.01380	64.8
60.86543	1.5
70.35905	2.4
70.36238	3.4
71.01384	100.0
72.99293	3.4
73.02948	31.4
75.00874	3.0
83.01390	18.1
85.02958	49.3
87.00872	4.5
87.04502	1.8
89.02455	13.0
89.06071	2.3
95.01382	7.9
97.02950	2.7
99.00880	12.8
101.02447	79.0
113.02459	36.8
119.03502	4.1
125.02463	2.3
130.24081	1.4
130.29034	1.4
143.03502	2.8
159.03006	9.4
161.04564	36.4
163.02541	4.8
163.04413	1.6
165.00410	5.6
179.99216	3.7
207.01494	3.8
251.00410	4.2
251.11293	19.8
251.14856	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	251.1289
Annotation	TALAPEROXIDE D
Peak:m/z	Relative Intensity
50.50913	0.2
53.61760	0.2
67.05508	0.3
68.99802	0.4
79.01896	0.9
81.18680	0.2
87.04510	0.8
111.04530	23.1
112.04858	0.6
113.09745	2.0
125.06075	0.9
137.09743	2.5
139.03969	0.3
149.06064	1.1
161.09700	0.5
165.01944	0.4
166.06306	0.4
167.03534	0.5
179.03479	0.4
179.10762	0.4
181.08696	3.1
193.01410	0.5
193.05043	3.3
194.05841	1.7
205.08823	0.4
206.02158	0.6
220.03740	0.3
221.08197	14.3
222.08485	0.4
223.09772	0.6
226.04886	0.4
233.08122	0.3
236.10486	0.9
249.07730	3.3
251.09267	8.3
251.12892	100.0
252.09598	0.5
252.13264	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	251.1291
Annotation	12-Noralliacolide
Peak:m/z	Relative Intensity
54.00316	0.4
54.54161	0.4
55.01865	0.7
56.26883	0.5
56.54800	0.5
57.03439	0.8
59.14132	0.5
66.12446	0.5
70.84996	1.2
79.01891	2.3
81.03441	0.7
81.60496	0.5
83.05060	0.6
87.04522	1.3
91.59322	0.6
93.81985	0.6
99.08150	2.2
101.06070	1.4
107.04996	0.6
119.01431	0.5
121.06559	1.0
123.08173	11.8
125.06109	3.2
137.09737	8.0
149.06059	2.2
151.04030	0.6
151.11362	0.6
152.04779	1.2
164.08420	0.7
165.12785	0.7
167.07147	8.6
180.04350	1.1
193.05023	2.3
207.13914	46.3
208.14279	2.4
218.09438	0.5
233.11867	1.3
235.11740	0.5
239.58794	0.5
251.12865	100.0
252.13185	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	251.129
Annotation	12-Noralliacolide
Peak:m/z	Relative Intensity
50.68907	0.3
55.01864	1.0
57.03425	0.4
59.01373	0.4
69.03446	0.4
79.01881	1.5
81.50616	0.4
87.04503	1.4
90.69309	0.3
99.08169	2.2
101.06065	1.6
107.05004	0.5
121.06598	0.6
123.08169	9.9
125.06097	4.7
137.09723	6.8
138.10114	0.4
149.06085	1.8
151.11307	0.5
152.04778	0.5
163.11252	0.4
165.12854	0.5
167.07140	9.4
179.03461	0.8
180.04314	0.8
189.12871	1.7
193.05074	1.5
206.43456	0.4
207.13902	42.0
208.14227	1.5
233.11867	2.3
236.10522	0.5
245.69724	0.4
251.12852	100.0
252.13145	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	251.1654
Annotation	Hanalpinol
Peak:m/z	Relative Intensity
52.64336	0.3
63.97355	0.3
67.14072	0.3
69.39856	1.1
69.40267	0.9
111.08164	1.3
115.55412	0.3
125.06165	0.4
132.14584	0.3
135.08183	4.4
136.26898	0.3
139.07677	0.3
179.07146	46.1
180.07591	1.4
181.12323	0.7
196.87349	0.3
221.11880	0.3
236.14209	3.4
249.07726	0.5
251.09535	2.8
251.16533	100.0
252.16843	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	251.1653
Annotation	Hanalpinol
Peak:m/z	Relative Intensity
59.41907	0.7
61.43724	0.7
93.48103	0.7
103.33391	0.7
111.08147	1.2
135.00912	1.1
135.08205	4.2
177.07355	0.7
179.07152	43.7
180.07588	1.1
181.12325	1.1
212.08362	0.7
232.13014	0.8
236.14233	10.2
251.16608	100.0
252.16922	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	251.2017
Annotation	Hugonianene B
Peak:m/z	Relative Intensity
59.01361	1.9
69.62640	3.2
89.08336	0.7
91.01923	0.7
91.73562	0.6
98.22575	1.2
163.00499	0.8
207.03107	0.8
223.13443	1.6
227.80940	0.7
233.19067	0.7
251.12828	2.2
251.14949	8.8
251.20180	100.0
252.20465	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	251.2018
Annotation	Hugonianene B
Peak:m/z	Relative Intensity
59.01372	1.5
69.41968	3.0
73.83607	0.5
77.62746	0.5
83.05044	0.7
89.40053	0.5
91.01912	0.8
96.18479	0.6
96.36333	0.5
116.16095	0.5
119.01395	0.5
135.00877	1.1
206.99493	1.0
219.12076	0.6
233.19176	1.1
251.14896	5.6
251.20187	100.0
252.20560	4.7
252.35910	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0514
Annotation	N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate
Peak:m/z	Relative Intensity
52.87562	0.5
69.14274	2.0
69.14697	2.4
71.01385	8.8
83.21040	0.6
88.04051	3.3
91.01908	1.1
93.03468	17.6
93.04048	1.0
97.73626	0.6
113.60947	0.6
114.01990	0.7
115.00385	16.0
118.03007	16.2
121.02955	1.0
131.69223	0.6
132.03041	3.8
136.04054	100.0
137.02463	7.5
137.04388	2.7
146.06117	1.8
161.23734	0.6
162.05684	0.7
164.07190	7.2
165.02924	0.6
208.06126	7.7
218.54424	0.5
234.04112	1.9
252.05125	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.4
68.32970	0.7
70.24355	1.5
70.24718	1.4
71.01386	1.0
86.66965	0.6
91.06690	0.8
93.03463	2.1
121.02964	56.6
135.04520	5.1
149.02484	0.9
161.34206	0.8
166.06363	100.0
167.06650	2.8
181.08714	31.8
194.05844	40.1
195.06169	0.9
209.08189	21.3
253.07129	7.9
253.21602	1.2
265.13855	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0718
Annotation	Phospho-L-arginine
Peak:m/z	Relative Intensity
55.01897	0.4
58.33904	0.3
60.95643	0.3
65.16060	0.3
69.67146	1.7
79.01902	5.6
81.26532	0.3
95.05033	0.7
97.02972	0.5
103.01900	0.7
109.06649	0.4
111.04531	19.7
119.77751	0.3
121.02976	0.6
123.08182	1.1
135.04587	2.2
139.03989	0.4
139.11308	1.1
145.06601	0.7
147.08173	9.2
148.05328	0.4
149.02458	0.4
149.06062	1.7
163.07678	0.7
165.01938	0.9
165.09212	2.6
167.03569	0.7
167.07132	0.8
173.06052	1.0
175.03986	0.7
176.04808	1.3
189.05624	0.5
190.99892	0.8
191.07152	6.6
192.04280	0.4
193.05103	0.5
195.06592	0.7
207.06694	0.4
209.08209	1.9
217.05055	1.5
219.03098	1.6
220.03783	15.8
220.11041	0.6
220.13091	0.3
221.04007	0.8
235.06123	100.0
236.06490	3.5
237.06409	0.4
253.07179	51.3
253.14395	5.3
254.07416	2.3
268.35205	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49223	0.4
59.01360	0.4
60.95627	0.4
61.28352	0.4
71.05012	0.4
72.45100	0.4
79.01897	6.4
95.04999	1.1
97.02955	0.5
103.01924	0.7
111.04531	18.0
113.09723	0.7
121.02950	0.9
121.09866	0.3
123.08152	1.4
135.04547	2.0
139.04060	0.6
139.11313	2.5
141.05626	0.4
145.06592	0.7
147.08168	8.1
149.06122	1.9
163.07651	1.1
165.01936	0.7
165.09186	2.2
167.07092	1.1
173.06049	1.1
176.04774	1.8
181.08638	0.4
190.99828	0.6
191.07133	6.5
193.04993	0.6
195.06656	2.7
205.08539	0.5
206.25122	0.4
209.08191	1.9
209.15523	1.0
217.05055	1.6
219.02997	1.6
220.03804	12.4
220.06044	1.1
220.11137	0.8
231.36877	0.4
235.06122	100.0
235.13358	1.7
236.06447	4.2
237.06442	0.6
253.07182	48.5
253.14464	10.5
253.18007	1.5
254.07307	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	253.0929
Annotation	3-beta-D-Galactosyl-sn-glycerol
Peak:m/z	Relative Intensity
53.78222	4.0
56.32000	3.5
59.01382	100.0
61.98853	5.3
64.47433	3.4
67.46379	3.4
71.01379	35.9
72.99305	10.8
73.02943	5.8
74.99110	14.6
78.95910	7.2
83.01407	3.7
84.79154	3.6
85.02957	10.8
89.02449	26.8
95.01399	4.9
95.26556	3.5
96.00904	8.2
99.00864	4.2
101.02455	38.7
111.79854	4.6
113.02429	11.8
114.98579	3.7
119.03532	6.2
120.95462	6.2
120.99662	14.4
121.02979	7.1
133.01477	3.6
143.03522	5.2
147.01221	4.8
153.27957	4.1
161.04555	14.2
165.02281	17.6
165.03737	3.1
165.05853	8.2
193.07353	4.1
253.03804	22.3
253.07091	4.7
253.09282	29.8
254.06853	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	253.093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	5.7
59.01384	100.0
71.01402	6.7
72.99299	10.2
74.99091	7.6
78.95924	10.4
90.23522	5.4
93.32797	5.2
96.00922	11.1
96.82912	6.1
96.96030	8.6
96.98811	5.4
114.98643	9.1
120.99699	9.2
125.40588	5.1
126.98830	6.1
136.94051	9.7
165.02243	11.2
178.04967	5.7
193.07100	5.6
253.03764	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	253.1084
Annotation	Daldiniapyrone
Peak:m/z	Relative Intensity
55.01864	1.1
57.03441	2.1
59.01390	5.7
68.99835	0.6
69.03452	1.2
69.30791	2.7
71.05030	4.2
79.90749	0.5
81.03457	2.1
83.01405	1.2
83.05031	6.8
85.02961	5.9
85.06577	3.3
87.04513	1.4
95.01380	1.7
95.05025	1.2
96.02157	0.8
97.02969	1.2
97.06585	2.6
99.04527	8.6
99.08171	4.3
100.04882	0.7
101.06100	1.5
103.74883	0.6
103.75584	0.5
107.05067	1.6
109.02962	8.1
109.06581	4.7
110.03739	1.1
111.04534	4.4
111.08141	3.0
113.02433	3.2
113.06088	2.4
113.09723	0.7
122.03737	1.0
123.04530	3.3
124.05301	2.0
124.84178	0.5
125.02449	1.0
125.06097	16.4
125.09737	1.7
127.04031	20.7
127.07656	1.5
137.02469	1.5
137.06111	2.8
137.09706	0.8
139.07701	0.8
139.11284	1.9
141.05600	5.6
149.09717	2.3
151.04016	5.9
152.04825	2.9
153.05589	0.8
153.09229	2.9
155.07153	1.5
165.05598	1.1
165.09233	1.5
166.06371	2.7
167.03500	9.1
167.10803	6.5
169.05057	2.6
169.08693	1.7
175.07738	1.4
177.01909	0.7
178.06422	0.7
179.07115	0.6
181.05080	1.3
183.06564	1.1
191.03554	1.1
191.10802	2.0
193.08717	16.0
194.09500	10.5
195.06635	6.1
197.08203	14.5
198.08510	0.8
207.10240	3.4
209.08301	3.4
209.11841	12.8
211.09770	17.1
212.10065	0.6
228.06412	0.6
235.09773	5.1
253.10829	100.0
254.11237	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	253.1082
Annotation	Monascusone A
Peak:m/z	Relative Intensity
55.01868	1.1
55.08968	0.8
57.03443	2.8
59.01378	4.5
64.96050	0.8
69.03439	1.0
69.32726	5.2
71.05031	7.2
80.12411	0.8
81.03465	3.3
83.01376	1.7
83.01836	1.0
83.05025	9.1
85.02951	5.8
85.06597	1.4
87.04475	1.2
95.01382	1.3
95.05010	1.1
97.02938	1.6
97.06600	2.4
99.04522	13.5
99.08173	5.7
101.06095	1.8
107.05041	2.1
108.02186	10.5
109.02956	8.4
109.06588	2.8
110.03772	2.3
111.04519	4.2
111.08170	2.6
113.02469	2.3
123.04513	2.8
125.06098	18.7
125.09775	1.2
126.06385	0.9
127.04021	32.0
135.04628	1.0
137.02383	2.0
137.06088	1.7
141.05574	3.9
149.09726	1.7
151.03984	5.4
152.04761	4.4
153.05576	1.2
153.09222	3.5
155.07222	1.1
165.09189	1.2
166.06372	1.4
167.03517	10.1
167.10803	6.2
169.05077	2.7
169.08746	2.8
171.03052	0.8
179.07140	2.1
191.03471	1.6
191.10780	2.4
193.08698	14.0
194.09491	10.0
195.06654	2.9
197.08183	10.6
207.10257	3.2
209.08192	3.1
209.11798	10.7
211.09770	13.2
235.09756	5.5
253.10822	100.0
254.11166	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	253.1084
Annotation	Striatisporin A
Peak:m/z	Relative Intensity
57.03446	2.2
59.01369	3.7
61.98799	1.9
69.95975	1.5
70.31740	1.5
70.41012	2.7
70.41351	2.0
71.01392	2.0
71.05015	4.9
81.03477	10.0
83.05032	8.4
85.02937	3.9
95.05064	1.6
97.03008	1.7
97.06589	2.7
99.04519	14.1
99.08177	4.9
101.06079	2.0
107.05035	3.2
109.02976	7.6
109.06614	3.5
111.04552	2.6
116.92941	1.4
121.02990	2.2
123.04461	2.3
125.02527	1.9
125.06092	10.5
127.04023	10.1
128.01727	1.4
137.06145	2.3
137.09766	3.0
151.04048	4.9
152.04895	1.5
153.05553	3.9
164.04813	2.7
165.12857	2.8
170.88362	2.8
171.10243	3.1
177.01875	2.4
178.02751	1.9
191.10832	4.4
191.14503	1.9
191.43030	1.2
193.08679	7.5
193.12399	6.2
194.09489	3.2
197.08199	13.2
207.10268	8.4
209.11856	4.6
209.15465	8.8
211.09756	3.6
219.06662	1.9
235.09773	45.6
235.13295	11.8
236.10187	1.5
238.08505	5.7
253.10835	100.0
253.14427	11.4
253.18085	2.3
254.11168	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	253.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88393	0.6
57.03453	1.4
57.87547	0.5
59.01387	2.5
69.23703	3.8
71.04669	0.7
71.05030	9.2
76.29134	0.4
81.03457	0.7
81.07083	1.0
83.05030	8.3
85.02970	2.7
85.06619	0.7
87.04518	4.8
97.06580	0.9
99.04527	4.7
99.08170	5.8
101.06090	2.6
107.05038	2.0
109.02951	7.6
109.06606	3.7
111.04507	1.3
111.08142	0.8
113.02490	1.0
113.09721	3.5
123.04501	3.0
125.02471	1.3
125.06107	7.1
125.09723	0.9
127.04025	8.8
135.00922	0.6
137.06120	1.3
137.09695	0.9
139.11299	0.9
141.05589	2.6
141.09244	1.0
149.09763	1.0
150.03183	1.1
151.04015	4.4
152.04843	3.4
153.01913	1.1
153.05586	0.9
153.09216	0.9
155.10786	0.9
163.04100	0.6
165.05598	0.8
165.09241	0.9
165.12898	0.7
167.10796	1.3
169.08701	1.9
172.03807	5.1
175.07687	1.0
177.02037	1.0
178.02670	3.7
180.08012	0.7
181.05125	1.0
181.08856	0.7
182.02197	1.1
189.09288	0.7
191.10834	2.0
192.08002	0.7
193.05078	0.7
193.08719	9.7
194.09489	2.1
195.06873	0.6
196.03722	0.6
197.08197	15.8
207.10274	9.5
209.11826	3.3
211.09758	4.2
217.08659	1.7
219.06700	1.7
225.11278	0.7
235.09772	48.9
236.10129	1.7
238.08472	4.3
253.10835	100.0
253.14462	75.6
253.17857	1.7
254.06699	0.7
254.11139	3.4
254.14938	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	253.1082
Annotation	Daldiniapyrone
Peak:m/z	Relative Intensity
55.01870	1.3
57.03466	0.7
59.01382	10.7
66.00326	0.8
69.69216	3.7
69.69546	0.8
79.05564	1.4
82.38685	0.8
85.02968	0.9
85.06595	14.7
87.04513	7.3
95.01393	1.0
95.05039	6.2
97.06591	8.2
99.04544	1.2
108.02175	1.8
111.04522	14.3
111.08170	2.3
113.06102	10.8
115.31041	0.8
121.06585	1.0
122.03725	2.4
123.04532	2.7
124.05294	6.6
125.13824	0.8
137.06113	2.5
137.09741	1.4
137.93118	0.9
139.04018	1.3
139.07637	3.2
139.11270	4.3
141.05591	41.4
149.09695	2.7
155.07153	1.3
165.05548	1.4
165.09229	3.1
165.12810	1.2
166.06348	9.7
167.03471	2.4
167.10808	10.8
179.07172	2.6
181.04984	1.0
183.06627	7.8
191.10791	2.3
193.08716	12.5
194.09470	22.9
195.06618	20.5
207.10336	7.2
209.08292	4.1
209.11832	18.2
210.08870	1.1
211.09752	24.2
235.09718	2.9
239.81253	1.0
253.10818	100.0
254.11160	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	253.1082
Annotation	Monascusone A
Peak:m/z	Relative Intensity
57.03434	0.8
59.01373	2.7
67.01855	0.5
69.51331	2.9
71.05025	9.5
81.03446	1.2
81.07088	1.0
83.05032	2.6
85.02963	2.6
97.02941	0.8
97.06617	0.8
99.04530	4.3
99.08155	5.2
101.06074	2.3
107.05013	1.9
109.02973	6.5
109.06610	3.6
111.04513	1.2
111.08140	0.5
113.02424	0.7
123.04570	3.2
125.02431	1.2
125.06084	8.0
127.04009	9.8
135.08183	0.6
137.02478	1.0
137.06104	1.1
137.09668	0.9
139.11269	2.3
149.02357	0.8
149.09758	1.2
150.03308	0.7
151.03995	5.0
151.87871	0.5
152.04836	2.8
153.01897	1.5
153.05592	0.7
153.09229	1.2
155.14494	0.6
165.05502	0.7
165.09215	1.5
167.10835	0.9
169.08708	1.1
175.07666	0.7
177.01932	1.0
178.02745	3.1
179.07178	0.8
181.05107	0.8
182.02252	1.2
189.09274	1.0
191.10803	2.7
193.08694	7.9
194.09532	3.0
195.06688	0.9
197.08202	13.9
207.10268	9.5
209.08215	1.1
209.11847	3.4
209.15567	0.6
211.09740	5.3
217.08684	2.0
219.06689	1.5
225.11369	0.5
235.09766	46.4
236.10094	1.6
238.08411	4.3
253.10823	100.0
253.14336	5.0
253.17926	3.1
254.11186	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	253.1084
Annotation	Daldiniapyrone
Peak:m/z	Relative Intensity
55.01863	1.6
57.03437	1.3
59.01382	12.5
63.85429	0.4
69.45422	1.1
69.45828	1.7
71.01389	0.6
79.05516	1.0
83.05025	0.8
85.02980	2.5
85.06123	0.9
85.06601	13.5
87.04523	7.7
92.70170	0.5
94.61176	0.5
95.01410	0.9
95.05034	6.5
96.02187	0.9
97.06600	5.7
99.04551	0.9
100.36047	0.5
108.02166	2.4
109.06593	0.6
111.04532	15.8
111.08167	3.6
113.02498	0.8
113.06097	15.7
114.06449	0.6
117.03501	0.6
121.06598	1.8
122.03741	2.8
123.04520	3.1
123.08228	0.5
124.05305	7.0
125.06094	0.6
137.06120	2.5
137.09721	1.4
139.03998	0.7
139.07671	3.0
139.11316	4.6
141.05589	43.4
142.05838	1.0
142.29146	0.5
149.09717	2.6
151.04025	0.9
151.07620	0.5
155.07140	1.6
160.25206	0.5
165.05568	2.1
165.09253	3.2
165.12813	0.7
166.04955	0.7
166.06361	9.4
167.03500	2.0
167.10794	8.9
169.08661	1.3
177.05569	0.7
178.06326	0.8
179.07141	2.1
181.05101	1.4
181.12346	0.6
183.06651	6.9
191.10803	2.7
193.08688	10.0
194.09485	23.1
195.06636	19.0
195.09633	0.9
207.10271	6.2
209.08287	4.8
209.11852	17.0
209.15547	0.6
210.08971	1.1
211.09758	22.4
212.10173	0.7
214.04852	1.4
235.06158	1.2
235.09750	1.9
235.13309	0.7
252.74045	0.5
253.10831	100.0
253.14436	4.2
253.17990	4.4
254.11195	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	253.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13804	0.3
57.03454	0.5
59.01363	0.4
70.92254	0.7
71.05025	3.9
75.49310	0.3
83.05032	8.4
85.02940	0.6
87.04514	5.1
99.04525	1.2
99.08154	0.9
109.02947	0.9
109.06597	0.5
111.04554	0.4
113.06036	0.3
113.09734	4.9
123.04546	0.7
123.08126	0.3
123.89351	0.3
125.02409	0.7
125.06092	1.5
125.09690	0.4
127.04035	1.1
127.07673	0.3
139.04001	0.4
139.11285	1.2
140.04776	0.5
141.05585	3.9
141.09242	1.7
151.04041	0.6
152.04739	0.3
155.10704	0.4
155.14433	0.5
155.99475	0.3
165.09160	0.3
169.08806	0.5
172.03783	6.3
178.02652	0.6
181.08643	0.4
182.02151	0.4
191.10831	0.5
193.08751	1.8
194.09436	0.4
197.08253	2.2
207.10326	1.6
209.11816	0.5
209.15427	2.1
211.09772	0.6
220.06145	0.7
220.11014	0.3
235.09760	8.1
236.10168	0.4
238.08504	0.6
253.10855	15.1
253.14447	100.0
254.06656	0.9
254.11163	0.7
254.14780	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	253.1446
Annotation	Aspergillide A
Peak:m/z	Relative Intensity
50.79225	0.3
51.09960	0.3
55.01873	0.3
57.03444	0.5
57.51805	0.3
59.86633	0.4
69.05097	3.3
74.59116	0.5
85.06579	0.5
87.04510	0.8
95.05032	2.0
96.05322	0.3
111.04502	0.4
113.09731	7.7
122.03764	1.0
137.09746	0.8
137.30963	0.4
139.07671	1.1
139.11304	20.4
140.11681	0.6
147.08200	0.8
161.09760	0.4
165.09222	7.4
166.06375	1.0
179.07164	0.5
181.08743	2.1
183.46205	0.4
191.07175	0.6
195.06624	5.2
205.08714	4.5
209.15479	4.7
220.11079	5.2
235.13394	13.4
236.13684	0.6
253.14465	100.0
254.14793	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	253.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.1
59.01374	0.2
59.52185	0.1
69.36408	0.6
70.57339	0.1
71.01362	0.1
81.03470	0.1
82.78614	0.1
83.05041	0.2
85.02989	0.1
87.04552	0.2
92.50484	0.1
95.05036	0.1
99.04548	0.2
101.02430	0.1
109.03019	0.2
111.04527	0.3
113.06115	0.6
113.09709	0.3
121.06602	0.3
123.04536	0.6
125.06091	0.5
135.08138	0.6
137.06136	0.8
139.04015	0.2
139.07651	0.2
139.11311	0.4
141.05580	0.1
151.07736	0.2
151.11259	0.2
152.04807	0.2
152.08453	0.2
153.80853	0.1
156.04335	0.1
162.50945	0.1
165.05585	1.6
165.09190	0.2
179.05501	0.2
179.07135	6.1
180.07927	21.6
181.08362	0.6
183.10378	0.2
184.07506	0.2
191.07230	0.2
191.14450	0.2
194.09470	0.1
195.06654	0.2
195.10268	3.9
196.10739	0.1
205.08649	0.4
207.06676	0.2
209.15497	0.3
220.11096	0.9
226.08524	0.2
235.06119	0.5
235.13391	3.2
236.13754	0.2
238.12143	0.1
253.14455	100.0
254.14807	4.2
254.17480	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1447
Annotation	CHEBI:69051
Peak:m/z	Relative Intensity
57.03442	1.1
59.01383	2.6
71.01399	0.6
71.28355	0.6
85.02965	3.5
89.02454	0.6
95.04989	0.5
97.06628	0.5
101.02459	0.5
111.04552	0.7
125.06062	0.9
139.04015	0.8
139.11252	0.8
141.05600	1.0
155.10652	0.7
160.24213	0.4
163.11299	4.9
164.37431	0.4
165.12845	6.2
175.11330	1.1
179.14403	0.7
181.12184	0.5
181.15962	0.8
189.12854	7.8
191.14424	100.0
192.14780	3.8
194.09579	0.6
205.12321	1.5
207.13850	0.7
209.15448	2.5
211.06038	0.8
235.13481	2.4
253.07198	2.9
253.14461	89.0
254.14803	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	255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	4.0
59.01375	49.4
67.01890	2.9
69.79420	12.9
71.01388	20.0
72.99308	32.6
74.99380	11.0
78.95899	11.6
80.72569	3.3
82.99878	4.2
83.01395	6.6
83.06162	3.2
85.01470	13.7
85.02967	4.8
86.99379	3.6
96.99306	3.7
98.99394	6.4
99.00877	15.9
101.00951	40.9
102.98882	20.1
104.03525	3.2
108.16285	2.8
111.00884	29.5
112.98789	21.0
113.00941	6.4
115.02454	3.0
117.00446	85.9
123.03044	6.1
124.98811	30.5
125.00945	23.1
126.98882	32.0
127.00388	2.9
127.02528	9.5
129.00433	4.6
130.98367	7.5
131.08302	4.7
141.00465	46.3
143.02013	71.0
144.02180	5.1
144.56889	2.9
144.99910	12.8
149.00972	10.8
150.98865	23.5
155.02010	11.1
155.07143	5.6
157.03584	18.8
159.01521	30.2
165.00395	3.9
166.98376	6.1
167.02014	16.6
168.99940	100.0
170.00125	6.9
170.97890	12.8
171.01501	7.9
172.01068	6.5
183.01509	13.7
192.99950	39.1
194.94003	4.2
196.05858	6.0
196.99448	12.4
198.97368	9.0
199.01018	11.5
203.24527	2.8
208.99422	10.3
211.00987	10.4
224.98911	27.0
227.00420	14.9
228.37634	3.2
238.06848	32.3
255.00047	26.7
255.08600	10.0
255.23285	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	255.051
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	4.1
69.27955	6.5
71.05016	1.2
72.99306	1.5
75.42631	1.1
78.95907	11.5
81.03471	1.2
83.05026	3.9
85.02959	13.0
85.06583	1.9
87.00883	7.4
87.04523	1.6
93.03457	1.1
95.01393	1.6
95.05037	2.0
96.96005	2.5
97.02989	1.3
97.06597	1.1
99.04523	3.4
104.03550	1.4
107.05026	2.3
108.02180	5.5
109.02966	13.3
111.00868	2.2
111.04536	2.9
113.02451	2.3
113.06091	2.4
120.02147	7.3
121.02973	1.8
123.00862	1.4
123.04556	5.8
123.08177	1.3
125.02447	1.9
125.06093	1.9
127.04026	9.5
131.08261	1.5
135.04515	3.3
135.15395	1.1
136.01685	1.8
137.02467	2.0
138.03235	1.5
148.01680	44.8
148.02870	2.3
150.03226	1.0
151.04005	2.4
151.07603	3.1
152.01141	2.0
152.91774	3.8
153.01959	2.9
153.05580	41.8
155.07143	18.1
163.04013	23.3
164.04672	1.2
165.01906	2.7
166.02725	4.9
167.03513	5.4
173.10486	1.4
177.05557	1.4
179.03485	6.5
181.05067	10.9
192.00710	3.1
192.68742	1.2
193.01347	1.6
193.05151	1.6
193.08687	2.0
194.92575	5.3
195.06604	9.9
196.03731	2.3
207.03043	8.0
210.01662	2.0
211.04024	1.2
211.06094	1.7
211.09619	1.3
213.07646	2.6
225.04057	68.1
226.04346	1.9
237.07635	1.3
240.02867	1.5
254.95874	1.4
255.03140	2.7
255.05119	53.6
255.08751	40.5
255.11670	1.9
255.23303	100.0
256.05420	3.0
256.08737	1.7
256.23615	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	255.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25502	0.9
52.46928	0.7
68.99847	1.1
82.05098	0.8
90.12780	0.9
111.04529	100.0
112.04844	1.4
123.08183	10.3
125.02474	2.6
137.00525	0.8
138.67488	0.8
167.07146	4.3
195.06621	9.0
203.13820	1.1
221.06415	1.9
223.06125	84.8
224.06421	2.9
228.67786	1.3
255.23323	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	255.0875
Annotation	N-Acetoxy-IQ
Peak:m/z	Relative Intensity
55.44729	1.1
59.01381	12.2
66.58455	1.1
73.02937	2.7
78.63999	1.1
78.95880	2.6
79.01881	2.0
81.03463	1.6
83.01385	2.8
85.02956	59.8
85.06578	8.7
87.00883	28.8
87.04508	7.5
97.02979	1.3
98.21828	3.7
99.04518	9.9
100.18086	1.2
101.02445	1.4
109.02974	3.5
111.00884	7.3
111.04520	17.4
113.02396	1.5
113.06099	18.7
115.04019	3.7
123.04510	5.4
123.08171	5.3
124.01645	2.3
125.02418	10.2
143.03481	4.4
143.07097	1.9
151.00336	3.8
151.07678	1.6
152.01138	3.2
153.01904	2.0
155.07147	85.5
156.07446	3.0
157.40131	1.2
167.03506	11.6
169.08719	2.0
177.05557	14.9
180.04340	2.6
181.05083	1.5
185.04543	2.5
187.93271	1.2
193.08733	3.1
194.05786	1.4
195.02995	9.3
195.06624	94.5
196.06998	3.0
213.07683	1.9
220.30199	1.5
228.75183	1.3
237.07666	8.0
255.05534	3.1
255.08734	100.0
255.23268	15.3
256.09103	4.0
270.26999	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00869	1.5
56.43541	1.5
57.03450	3.6
59.01373	3.1
62.60655	1.5
69.40579	9.9
71.05038	2.1
79.01915	2.2
83.05045	2.0
85.02957	23.9
85.06602	6.8
87.00912	1.9
87.04519	2.5
94.07108	1.5
95.05081	3.0
97.02912	2.3
98.22625	2.0
99.04530	3.7
100.69347	1.7
105.80500	1.7
111.04534	17.1
113.06100	5.8
121.51023	1.6
123.04552	10.6
123.08168	19.1
125.02441	8.0
125.22891	1.6
133.06557	1.8
135.04626	2.2
139.04005	2.5
141.09225	8.5
151.00401	2.8
151.07652	8.0
155.07159	12.2
165.09215	2.5
167.03528	3.1
175.07646	3.3
177.05603	9.4
181.12244	1.7
185.11832	1.7
191.14439	3.1
193.08716	18.8
193.14993	2.4
195.06636	100.0
196.07021	2.5
211.13576	1.8
237.07642	2.1
238.08502	8.4
255.08762	5.6
255.15878	5.5
255.23271	21.0
272.04773	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.3
57.03439	1.9
59.01385	7.2
69.60110	3.8
73.02935	3.3
78.95915	2.1
83.01376	2.1
85.02958	67.0
85.06596	8.4
87.00880	32.4
87.04523	8.5
94.55984	0.9
95.05046	1.2
97.02979	0.9
99.04540	3.8
101.92358	1.0
109.02956	1.1
111.00880	6.4
111.04528	11.6
113.06098	21.1
115.03999	4.2
123.04491	4.6
123.08183	2.9
123.94299	0.9
125.02456	6.1
139.04012	1.5
139.07689	1.3
143.03516	7.0
153.05557	1.0
155.07149	100.0
156.07443	2.2
166.28049	0.8
167.03503	10.9
167.07169	1.8
177.05553	6.3
181.05040	1.2
193.08766	1.1
195.02942	1.9
195.06641	39.5
196.07047	1.1
237.07709	3.7
255.08754	44.0
255.23289	12.7
256.09045	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	255.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	2.9
62.27873	1.5
69.16652	11.8
71.05027	96.9
83.05042	8.9
85.02961	2.5
85.06583	7.1
87.04521	100.0
96.30174	1.6
99.04534	12.1
101.06088	77.6
113.06107	2.4
115.04021	1.6
115.07667	8.4
127.04044	4.8
127.11301	23.4
128.04813	31.9
129.05298	1.7
139.11327	4.1
141.09251	7.8
142.06381	4.8
143.10800	10.4
146.00354	1.7
155.10782	24.5
157.12346	50.8
163.48611	1.5
167.10797	5.9
169.08733	5.7
171.10303	12.2
183.10295	13.3
185.11818	14.4
194.09471	3.2
209.15602	2.5
227.16345	2.3
255.16045	83.1
255.23328	5.7
256.16534	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.2331
Annotation	2-Hexyldecanoic acid
Peak:m/z	Relative Intensity
53.76506	0.3
69.39796	1.6
71.59947	0.3
99.92523	0.3
101.68742	0.3
104.19146	0.3
109.35129	0.2
167.33870	0.3
177.57774	0.3
255.23303	100.0
256.23682	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	257.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.1
55.36754	0.7
59.01384	100.0
67.16108	0.7
69.14227	4.1
69.14652	2.4
81.61156	0.7
84.13088	0.7
87.04548	1.0
92.33762	0.6
95.05077	1.7
97.06629	1.2
104.10401	0.8
109.57587	0.6
111.08259	1.0
118.58066	0.7
125.09787	1.0
163.11302	1.4
187.09782	0.9
213.05531	0.8
225.11342	1.3
255.44873	0.7
257.04410	1.0
257.13977	23.1
257.17657	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	257.176
Annotation	TETRADECANEDIOIC ACID
Peak:m/z	Relative Intensity
131.64058	0.5
176.89270	0.6
195.17555	51.2
196.17873	2.2
213.18608	1.5
239.16537	53.9
240.16949	2.2
257.17596	100.0
258.17911	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.2124
Annotation	2-Methoxytetradecanoic acid
Peak:m/z	Relative Intensity
60.10835	0.3
62.76054	0.3
65.50063	0.3
69.27404	2.1
69.27832	0.6
73.74397	0.4
135.97749	0.4
168.41174	0.3
172.94858	0.4
198.28838	0.3
211.20692	4.7
227.70116	0.3
239.20201	1.4
255.19672	0.8
257.21237	100.0
258.21558	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	259.0612
Annotation	2-Methoxy-6-acetyl-7-methyljuglone
Peak:m/z	Relative Intensity
57.03455	4.6
59.01376	1.0
62.55255	0.6
67.01877	0.6
68.99812	0.6
69.03450	1.3
71.27731	0.8
74.94599	0.5
78.95902	0.9
79.95741	3.3
81.03454	1.8
83.01394	8.3
92.05051	0.6
92.38461	0.5
93.03465	5.4
95.01392	1.5
96.96036	4.5
98.10144	0.5
105.03513	0.7
106.04295	0.5
107.05021	1.6
108.02171	5.3
109.02959	20.7
111.00902	2.8
116.05118	0.7
119.05048	5.8
121.02965	19.8
121.06614	0.7
122.03792	0.9
123.04517	1.3
124.01678	24.5
125.02464	42.0
126.02863	0.7
129.03491	1.4
130.04228	1.8
131.05034	1.2
133.02956	1.3
134.03737	3.1
135.04543	38.2
136.04845	0.8
137.02460	47.9
138.02751	0.8
143.05035	1.4
144.05800	1.3
145.02924	2.9
145.06610	3.5
146.03741	15.4
147.04532	16.4
148.05330	7.6
149.02446	7.3
149.06104	8.2
150.03244	24.8
151.04030	4.3
155.05038	1.2
157.02943	1.1
158.03738	2.3
159.04494	2.3
159.08180	0.7
161.02466	5.9
161.06097	10.1
163.04015	3.7
163.07771	0.6
164.04813	9.0
169.06584	1.1
171.04556	2.9
172.05315	7.8
173.02489	2.6
173.06090	22.4
174.03229	10.1
175.04019	70.4
176.04527	2.1
179.03523	38.3
179.07133	16.7
180.03897	0.9
185.06120	1.1
187.04047	3.9
187.05481	0.7
187.07639	2.7
188.04787	1.3
189.01987	0.8
189.05594	24.8
190.06004	0.7
191.03494	0.7
191.07152	18.5
197.06116	3.3
197.11884	1.2
199.04024	2.6
200.04747	1.2
201.01945	3.9
202.02812	0.8
204.04222	1.6
212.04865	0.8
213.05608	4.1
215.03564	1.7
215.07063	15.3
216.04192	1.2
216.07445	0.6
217.05051	16.4
229.01787	1.0
230.02228	0.7
231.06602	2.5
241.05125	7.6
242.05823	0.9
258.99179	7.7
259.02838	10.9
259.06110	100.0
259.99622	1.2
260.03754	0.6
260.06454	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	259.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.0
59.48890	1.4
60.19106	1.2
60.81908	1.4
63.16382	1.2
63.33495	1.1
64.04347	1.2
71.28899	1.6
71.29248	1.8
72.00922	11.2
83.01383	2.9
86.02484	66.7
92.05067	68.0
93.03480	1.4
96.49198	1.2
109.02973	6.1
116.05074	69.7
117.05413	1.8
121.02955	5.5
122.62626	1.6
124.01652	6.1
125.02445	10.0
129.05811	1.5
130.06639	3.2
135.04536	3.2
137.02458	9.1
142.06642	32.4
143.06139	2.4
144.08188	9.1
147.04567	1.9
148.05313	2.2
149.02513	2.0
150.03230	5.7
154.02357	1.4
154.06639	5.5
156.06912	6.8
169.07697	11.9
171.09291	69.4
172.05278	2.6
172.09590	2.3
173.06071	5.2
174.03217	1.6
175.04012	15.8
179.03499	3.8
189.05632	7.1
191.07164	4.5
198.47795	1.4
215.08287	100.0
216.08511	4.3
217.05058	4.3
258.99380	1.5
259.02267	1.8
259.06348	19.4
259.11810	4.9
283.82068	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.5
59.91750	0.4
60.99705	0.4
66.80307	0.5
71.01407	0.5
71.29308	0.4
77.91167	0.4
87.17690	0.4
89.02465	1.6
95.05043	0.8
97.06596	8.7
118.13988	0.4
123.08186	4.8
123.09048	0.6
125.09734	74.1
126.10084	2.0
143.10808	1.6
169.08736	2.4
185.61346	0.4
187.09769	100.0
188.10117	2.7
197.75467	0.4
259.05975	0.9
259.11865	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0074
Annotation	Tichocarpol A
Peak:m/z	Relative Intensity
52.25259	0.7
56.65627	0.7
57.03438	1.4
57.72701	0.8
59.01370	0.8
72.99313	16.2
74.02488	0.9
75.00879	3.0
79.95744	8.7
80.96517	2.0
81.03465	4.1
93.03459	25.5
95.05048	2.9
96.96017	13.6
103.89700	0.8
103.91999	0.9
107.05040	3.7
109.02958	3.4
117.03487	1.0
119.05036	52.5
121.02895	1.4
123.00912	1.0
123.04530	1.9
125.02446	2.7
131.05023	1.1
133.02988	2.0
133.06615	1.0
134.03769	1.6
135.04538	32.8
136.04857	1.8
137.02457	10.9
137.06122	1.5
139.04001	1.5
145.02986	1.1
145.06622	1.4
147.04532	3.8
147.08173	1.0
149.06113	7.3
151.04044	0.8
157.06644	1.2
158.03780	1.3
159.04541	3.1
159.09602	0.8
161.02467	6.0
161.06104	1.1
162.03273	1.9
163.04021	38.7
163.07613	1.2
164.04330	1.2
165.01938	0.8
169.29611	0.9
173.06097	4.1
175.04015	8.1
175.07643	1.7
176.04802	3.8
177.01964	3.9
177.05579	8.2
178.02650	1.9
181.05078	84.4
182.05466	3.1
189.01968	3.1
189.05568	3.3
190.02658	1.6
190.47493	0.8
191.03577	4.2
191.07126	2.8
199.00706	17.8
199.03914	1.1
199.07689	1.1
200.04852	1.8
201.05611	4.1
203.03487	8.8
204.04289	13.3
205.04982	1.3
215.00208	8.2
215.07156	1.4
217.01462	6.0
217.05014	4.2
217.08765	1.3
218.05820	3.5
219.03055	2.7
219.06636	43.4
220.07069	1.3
224.46664	1.0
233.04555	1.5
233.08156	2.0
243.03032	2.1
243.06677	5.1
243.08794	1.1
261.00751	100.0
261.03928	5.1
261.07687	72.6
261.22256	1.1
262.01074	3.9
262.08060	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0075
Annotation	Tichocarpol A
Peak:m/z	Relative Intensity
71.01358	1.1
72.99312	16.0
75.00851	2.5
77.93826	1.1
78.95889	1.7
79.95742	6.3
80.96539	1.9
81.03453	1.9
93.03468	25.0
95.05048	1.0
96.96016	32.6
96.96950	1.5
99.00874	1.3
107.05043	1.9
109.02939	2.9
114.01928	1.1
115.00402	1.6
119.05038	42.3
120.99683	2.5
133.01476	2.1
133.02913	1.2
135.04535	30.7
136.04794	1.1
137.02454	1.8
151.04008	1.5
163.04025	35.0
175.04070	3.3
177.01932	1.8
177.05635	1.5
181.05078	87.6
182.05444	2.6
199.00714	15.6
204.04242	1.2
214.41212	1.2
215.00175	8.3
217.01570	1.4
217.05154	1.3
219.06656	3.4
249.74561	1.3
261.00735	100.0
261.03397	3.5
261.07877	6.0
262.01080	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	261.0767
Annotation	violaceol i
Peak:m/z	Relative Intensity
55.01876	0.2
63.24229	0.1
65.00329	0.2
67.06327	0.1
71.01374	0.2
71.28317	0.3
77.03970	5.2
79.01901	2.6
85.06591	0.9
87.02396	0.1
87.04537	0.2
91.01868	0.2
93.03468	0.7
95.05016	0.4
105.03461	1.1
107.01379	0.8
109.06591	2.3
111.04527	2.6
119.05035	0.9
121.02955	3.0
123.04538	0.3
123.08167	0.5
134.03758	0.1
135.00880	0.2
135.04503	0.6
136.01694	0.2
145.02962	0.2
145.10292	0.2
146.03728	0.3
147.00887	0.2
147.04553	0.2
147.08173	0.6
148.01695	0.3
149.02461	3.3
149.06041	0.2
150.06950	0.2
153.05577	0.8
159.04501	0.2
161.02414	1.0
161.09703	0.5
162.03302	0.6
163.00351	0.8
163.04015	3.5
163.07576	0.2
165.01952	0.2
165.09216	0.8
173.02457	0.2
173.06094	1.6
174.03194	0.5
174.06903	0.8
175.00446	0.3
175.04001	2.6
175.07681	0.1
187.07603	0.2
188.01128	0.2
189.05624	1.0
189.09224	1.7
190.02707	1.8
190.06371	0.2
191.03506	0.8
191.07204	0.2
193.08723	0.6
200.01131	0.4
202.06360	0.4
203.03490	0.7
205.08708	0.3
216.00601	0.8
216.80254	0.1
217.05064	32.9
218.05838	37.2
219.06161	1.4
227.03462	0.5
228.04271	0.7
232.07297	0.2
233.08192	88.7
234.08537	4.1
243.06633	2.8
250.04836	0.4
259.06107	1.0
261.07684	100.0
262.08035	4.9
262.10324	0.1
264.06470	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0767
Annotation	3,4-Dihydro-1,2-secomicrominutinin
Peak:m/z	Relative Intensity
51.44749	0.3
57.50399	0.3
59.01361	0.4
59.56846	0.3
60.11948	0.3
69.06583	1.1
69.07004	1.6
87.04489	0.3
103.05528	0.6
107.50835	0.4
107.88428	0.4
111.04549	1.9
117.03381	0.3
119.04974	0.6
123.04553	0.6
126.09437	0.3
129.03400	0.4
133.02956	0.5
145.02922	0.4
147.04543	2.1
149.02461	0.6
156.12599	0.4
159.47185	0.3
161.02422	0.8
162.03221	0.7
163.03998	0.4
171.08138	0.8
173.02437	3.1
184.05260	0.9
187.07683	0.8
189.01938	3.3
190.02701	5.7
191.01727	0.6
191.03513	12.3
192.03889	0.4
199.07695	0.6
200.04800	0.5
203.03481	0.9
215.07146	3.2
216.99374	0.7
217.01422	13.3
218.02037	1.6
225.05565	1.0
228.04298	2.0
231.06917	0.4
233.08305	0.5
243.06627	29.4
244.06998	1.1
261.07687	100.0
262.08029	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	261.077
Annotation	529507-98-0
Peak:m/z	Relative Intensity
50.02352	0.6
59.01380	5.7
65.03961	1.8
65.83707	0.7
67.01919	0.8
69.03447	1.6
70.02982	1.1
70.50533	2.1
71.01402	0.9
73.02972	1.5
74.02476	9.6
77.45660	0.7
79.95740	0.9
81.03443	2.0
83.05036	1.3
85.05083	0.7
87.04501	0.7
93.03466	10.0
95.01406	1.5
95.05032	9.4
96.96040	3.7
97.02962	9.5
98.02480	2.5
98.22450	0.9
105.03461	1.0
107.05042	0.9
108.02183	1.2
109.02968	1.7
109.06547	0.7
109.85428	0.8
111.08173	1.0
116.03547	4.6
121.02949	5.2
122.03735	3.4
123.04535	100.0
124.04868	1.8
125.02455	1.1
128.03574	0.7
132.04561	2.0
133.02986	1.0
135.04543	8.3
137.02452	86.4
138.02748	1.8
139.04021	22.8
140.04352	0.7
145.03044	0.8
149.02412	0.7
151.03998	3.4
161.02464	2.2
163.00403	1.3
165.01935	2.9
166.06401	1.3
170.02280	0.7
173.06004	1.1
175.03987	5.2
176.04251	0.9
177.01900	2.7
179.03517	5.2
181.03961	1.1
181.08672	0.9
189.01965	1.7
191.03392	1.1
201.06723	1.3
217.01419	2.5
217.05029	4.0
217.14439	0.9
218.01019	0.9
219.12364	3.8
232.10049	0.7
233.00945	1.1
233.04474	1.1
243.12402	1.1
261.00558	6.2
261.04175	7.2
261.07736	26.4
261.13306	3.7
261.22296	2.4
262.08081	1.1
278.79514	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	5.6
61.49556	0.7
69.44300	3.2
70.02985	12.0
72.04558	4.7
74.02480	100.0
74.35564	0.6
84.04543	1.4
89.41390	0.7
95.05042	0.7
96.96033	2.6
98.02487	23.5
98.21769	1.1
116.03551	53.7
128.03571	6.4
132.04572	32.5
133.04898	0.9
144.04570	6.9
165.01891	0.8
173.07257	1.0
175.08861	1.2
198.01778	0.6
201.06725	11.8
207.59312	0.9
217.09993	0.9
219.07744	3.5
219.12453	3.5
220.51501	0.6
232.16884	0.7
261.04413	1.1
261.08859	22.4
261.13181	0.9
262.09100	1.3
273.47046	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1345
Annotation	Triethylene glycol diglycidyl ether
Peak:m/z	Relative Intensity
57.03453	3.3
59.01372	1.4
69.03465	0.4
69.06148	1.7
69.06558	0.7
72.83864	0.3
83.05034	0.7
87.40151	0.4
91.04025	0.9
95.05028	0.8
97.06600	11.8
98.06867	0.3
117.93193	0.3
123.08179	4.6
125.09733	100.0
126.10064	3.0
143.10817	1.7
146.65724	0.3
152.89905	0.3
169.08702	4.0
187.09769	74.1
188.10100	2.5
205.05260	0.4
217.05106	0.6
218.05820	0.8
233.04565	0.9
233.08209	1.0
261.00497	0.6
261.04056	1.6
261.07745	2.1
261.13440	19.2
262.13806	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0925
Annotation	Xestodecalactone A
Peak:m/z	Relative Intensity
56.97257	0.3
59.01384	0.4
67.01874	0.5
71.28435	0.5
72.54639	0.3
80.18282	0.3
85.06558	0.5
85.22223	0.4
107.05004	0.4
109.02952	0.6
111.04523	4.7
111.08166	1.2
121.06602	2.0
123.04527	2.6
123.08162	0.7
135.08150	1.2
137.06097	1.0
147.04495	0.6
149.02423	0.7
149.06107	1.0
149.09689	0.7
150.03268	0.5
162.49954	0.3
163.04082	0.4
163.82573	0.3
165.05574	4.7
168.28491	0.4
175.03912	0.5
177.01924	3.7
178.02757	1.7
189.09225	3.6
191.03496	1.2
191.10794	4.6
192.07985	1.8
193.05064	0.7
193.08737	0.4
198.02638	0.3
201.09288	0.4
204.00667	1.3
205.01506	1.7
205.05023	2.7
206.02187	1.0
207.10306	0.8
215.03572	0.9
217.08769	2.1
218.05806	0.5
219.03070	0.5
219.06578	1.9
219.10248	2.1
219.17606	0.9
220.03760	2.2
220.07291	1.8
220.10934	0.6
230.05843	2.5
233.04691	1.7
233.08197	6.3
235.05986	1.0
235.09770	38.8
236.10103	1.4
245.08234	0.8
247.06088	0.6
248.06902	36.8
248.10524	6.0
249.07266	1.4
249.10841	0.5
263.09253	100.0
263.12708	6.5
263.16547	4.8
263.20151	1.0
264.09619	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	263.1138
Annotation	Ilicifolinoside A
Peak:m/z	Relative Intensity
55.01873	5.4
57.03441	5.1
58.00600	2.3
59.01383	47.5
63.24560	1.1
71.01389	100.0
71.05032	13.6
72.99315	6.1
73.02956	25.9
73.06604	2.1
74.99083	1.5
75.00878	2.3
83.01392	10.4
83.05032	5.5
84.95108	1.4
85.02962	43.6
87.00885	5.4
89.02451	24.0
95.01393	4.9
96.96033	2.1
97.02966	1.8
98.61411	1.2
99.00899	12.5
101.02452	62.4
101.06084	28.4
103.92014	2.2
109.84623	1.2
113.02463	38.6
113.04288	1.8
119.03511	7.9
120.99673	2.3
121.02976	3.1
124.13292	1.3
129.01978	2.1
133.22311	1.4
142.96620	1.5
143.03500	1.8
147.06783	2.1
159.03033	6.1
159.04173	1.3
161.04553	19.8
163.03870	1.3
175.04358	9.8
184.97668	1.8
192.80424	1.3
202.98705	1.9
219.11429	1.9
263.05963	6.2
263.11356	9.4
266.44272	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	5.6
57.03455	5.3
58.00587	3.7
59.01380	63.1
68.96568	6.5
68.97002	4.9
71.01385	100.0
72.99303	4.0
73.02946	29.5
74.99122	2.2
75.00874	1.4
83.01379	12.4
85.02956	36.4
87.00883	5.0
89.02446	30.6
95.01390	6.6
96.96024	4.0
97.02937	1.6
98.21818	3.3
99.00880	10.7
101.02447	71.4
101.06098	1.8
113.02457	39.6
119.03543	9.0
123.04605	1.5
131.03511	1.8
131.05223	1.3
143.03503	4.1
159.02998	8.7
161.02498	2.6
161.04559	40.3
175.04312	7.9
178.04982	1.2
181.01512	1.3
181.81007	1.2
189.01970	3.6
195.24139	1.2
204.04320	2.9
205.01340	1.4
233.00832	2.4
248.03250	3.1
255.05409	1.3
263.02255	1.5
263.05856	6.1
263.11328	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	263.1285
Annotation	gamma-CEHC
Peak:m/z	Relative Intensity
55.01886	0.8
63.01690	0.3
63.20026	0.3
69.12173	2.6
73.02935	0.6
77.36940	0.3
79.01888	1.0
82.93034	0.3
85.06590	2.8
87.04519	1.2
88.76773	0.3
93.07098	0.6
95.05041	3.1
107.05071	0.4
109.87059	0.3
111.04534	7.2
119.05029	0.7
120.05789	0.6
121.06565	0.3
123.08190	3.4
125.09731	1.3
130.41180	0.3
137.06033	0.3
137.30855	0.3
138.03242	0.9
149.02473	0.3
149.09706	2.6
151.07645	3.8
162.06757	0.3
163.07674	0.4
163.11322	1.7
165.09206	1.1
175.07652	0.7
177.05615	0.6
177.12868	0.5
177.88316	0.3
179.10657	0.3
191.03583	0.6
191.07187	0.7
192.08104	0.3
193.08702	11.4
199.11304	0.5
201.12889	0.5
202.10039	1.6
204.04291	1.0
204.11600	0.6
205.05060	2.3
208.07339	0.6
217.12343	12.1
217.14449	0.7
218.12744	0.5
219.06630	3.1
219.13910	8.5
220.14226	0.4
230.09476	0.4
233.08183	4.2
235.09682	0.5
235.13243	0.6
245.11845	3.0
248.10641	0.5
263.12897	100.0
264.13232	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	263.1286
Annotation	gamma-CEHC
Peak:m/z	Relative Intensity
55.01878	0.4
55.64240	0.3
57.03419	0.3
59.59460	0.3
71.28262	0.3
79.01888	1.1
80.02670	0.6
83.04367	0.2
84.24786	0.3
85.06575	2.1
87.04488	0.7
93.03469	0.5
93.07105	0.9
95.05034	4.2
97.15229	0.3
99.08134	0.6
100.91595	0.2
101.06043	0.3
107.05008	0.3
107.08679	0.5
107.59428	0.2
109.06563	0.4
111.04530	6.4
111.08147	0.6
113.59565	0.3
119.05058	1.3
120.05806	0.9
121.06624	0.4
123.08180	3.4
125.06097	4.0
125.09723	1.3
133.06612	0.6
135.08185	1.4
137.06075	0.9
138.03239	0.6
148.68539	0.3
149.02458	0.4
149.09740	2.1
151.07672	2.5
161.06100	0.3
163.04097	0.3
163.11316	1.7
165.09195	0.6
167.07211	0.3
172.56404	0.3
175.04048	0.3
175.07684	0.4
177.05594	0.3
177.12793	1.4
179.07124	2.8
179.10710	0.3
183.82109	0.3
189.09174	0.4
190.02788	0.3
191.03514	0.8
191.07141	0.6
192.07886	0.3
193.08711	9.2
201.12941	0.3
202.10019	0.7
204.04222	0.9
204.11536	0.5
205.05066	2.7
217.12338	10.1
218.12648	0.3
219.06657	2.4
219.13901	11.2
220.07156	0.3
220.14273	0.4
221.08142	0.3
233.08206	3.8
235.13390	0.6
245.11809	2.4
248.10481	0.8
263.12888	100.0
264.13248	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	263.128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.9
61.95507	0.4
71.28429	0.7
79.01916	1.1
80.56174	0.5
85.06601	2.8
85.34977	0.5
87.04521	1.1
93.07095	0.9
95.05021	2.9
107.08681	0.5
111.04530	12.8
111.05254	0.9
117.15885	0.5
119.05078	0.7
120.05826	0.9
121.06580	0.7
123.08185	3.1
125.09719	1.3
131.22383	0.5
138.03400	0.6
148.08897	0.5
149.09718	3.1
151.07678	3.3
163.11279	2.7
165.09236	0.8
175.07683	1.1
177.05508	0.7
180.04228	0.4
191.07370	0.5
193.08702	10.7
201.12892	0.5
202.09972	0.8
203.03395	0.4
204.04405	1.0
205.05051	2.6
208.07506	0.5
217.12329	12.1
219.06625	2.6
219.13904	11.7
233.08194	5.3
235.13382	0.5
245.11716	2.2
248.10463	1.8
263.12894	100.0
264.13196	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	263.1289
Annotation	gamma-CEHC
Peak:m/z	Relative Intensity
51.14309	0.3
55.01882	0.6
62.52026	0.3
63.24729	0.3
64.10256	0.3
69.12853	2.3
69.66326	0.3
79.01897	1.4
80.02696	0.4
85.06594	2.6
87.04520	0.8
93.07104	0.8
93.46354	0.3
95.05026	2.9
107.08667	0.6
111.04529	7.2
119.05005	0.8
120.05826	0.8
121.06603	0.5
123.08178	3.7
125.09718	1.3
131.08711	0.3
138.03200	0.8
149.02409	0.5
149.09740	3.1
151.07654	3.5
161.06047	0.5
163.03978	0.3
163.07661	0.6
163.11279	2.1
165.09258	0.9
166.24422	0.3
168.76427	0.3
173.06059	0.5
175.07632	0.8
177.05537	0.9
177.12872	0.5
187.07591	0.5
192.07927	0.6
193.08717	11.0
194.09091	0.7
199.11092	0.3
202.10004	0.9
203.03534	0.5
204.04288	1.1
204.11539	0.5
205.05075	2.5
208.07445	0.3
215.07161	0.5
217.12343	12.9
218.12752	0.7
219.06656	2.8
219.13908	9.5
220.14362	0.4
224.09210	0.3
230.09483	0.3
233.08197	3.9
235.13341	0.7
245.11800	3.1
247.09839	0.5
248.10287	1.1
263.12891	100.0
264.13235	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	263.129
Annotation	2-trans-abscisic acid
Peak:m/z	Relative Intensity
50.99706	2.2
57.03446	3.1
59.01384	4.5
69.03449	2.7
69.80514	5.7
71.01378	7.0
79.05524	2.9
83.05042	3.8
83.33811	1.9
93.62335	2.3
95.05042	3.6
96.96014	8.2
97.02946	10.9
105.07079	2.5
107.05042	4.1
108.02193	2.1
108.05815	8.1
109.02974	9.0
109.06596	6.2
111.04507	16.5
113.06081	9.8
119.08675	6.9
121.06603	4.6
122.03761	16.5
123.04549	3.0
123.08182	7.6
125.06113	15.1
135.08206	3.1
136.05309	20.1
137.06079	9.1
138.06873	23.7
139.06625	3.7
139.07663	39.0
148.05302	9.8
149.06036	2.6
151.07663	77.2
152.04784	8.9
152.08440	48.3
153.09239	11.4
159.04532	1.9
159.11765	4.9
161.09761	6.4
163.07657	17.3
167.07120	2.7
176.07687	1.9
177.12784	2.6
188.08498	4.2
189.09285	13.0
201.12874	34.8
203.10779	29.2
204.11557	75.3
205.11832	3.3
219.03000	2.2
219.06665	2.7
219.13899	100.0
220.14194	4.6
263.01978	4.7
263.05838	3.5
263.09198	2.7
263.12891	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	263.129
Annotation	Epoxycantabronic acid
Peak:m/z	Relative Intensity
54.45654	2.0
55.01883	2.5
57.03446	2.6
57.40767	2.2
59.01379	3.6
67.01849	2.4
69.17804	2.5
69.50159	5.8
69.50551	4.0
71.01381	6.4
73.77463	2.4
77.32678	2.2
80.78151	2.2
83.05047	5.1
95.05033	3.1
97.02962	11.1
108.05815	8.4
109.02969	9.3
109.06620	5.9
111.04540	15.1
113.06084	8.0
119.08689	6.0
121.06603	6.3
122.03751	17.1
123.04494	2.5
123.08196	7.5
125.06100	18.2
135.08174	4.6
136.05319	22.7
137.06154	5.5
138.06876	20.7
139.07674	34.1
148.05322	11.3
149.06122	4.8
151.07661	78.1
152.04825	6.6
152.08441	42.8
153.09229	11.2
159.11787	6.5
161.09703	9.2
163.07678	19.9
167.07166	6.3
170.05881	3.0
185.09662	3.3
186.10518	4.2
188.08441	5.5
189.09210	9.4
189.12868	3.7
201.12883	39.9
203.10759	31.8
204.11551	75.6
219.13904	100.0
220.14224	6.3
244.80127	2.4
245.00919	11.5
257.99631	3.0
263.02063	4.4
263.13025	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	263.1653
Annotation	Dehydrojuvabione
Peak:m/z	Relative Intensity
57.03451	3.3
59.01400	6.4
66.44498	1.4
69.03444	1.9
71.01367	1.3
72.70382	1.3
74.10133	1.4
74.80725	1.7
83.05041	3.6
93.03447	1.9
95.05037	4.6
97.06609	1.5
98.21692	2.5
111.08163	41.6
137.09729	7.9
149.09729	13.7
161.09650	1.8
165.12790	1.4
167.10785	5.8
177.78864	1.3
178.05080	2.0
208.90062	1.5
215.27522	1.4
219.17555	27.2
228.65659	1.5
245.15314	3.0
263.16531	100.0
264.16721	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	264.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25282	0.8
60.36805	0.9
65.29298	0.8
69.09298	7.4
71.05008	1.3
79.01885	1.3
95.05022	3.3
97.02974	2.0
98.21786	1.4
109.06601	1.1
111.04513	3.6
123.08130	2.0
125.73711	1.0
139.04012	4.2
165.01942	1.4
165.09210	19.1
178.08751	1.5
191.07114	1.5
194.08226	10.1
209.08195	100.0
210.08556	3.6
213.44493	1.0
219.47871	1.0
222.07703	9.5
230.26740	0.9
264.08752	8.1
265.14413	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.7
58.00580	2.1
59.01384	54.8
67.68038	0.8
69.37317	4.8
69.37708	1.3
71.01384	27.2
72.99304	1.8
73.02939	2.0
75.00919	0.8
78.95922	1.1
83.01376	1.9
85.02954	28.2
87.00877	3.2
89.02451	26.8
89.02921	0.6
95.01405	1.1
96.35667	0.9
98.22569	1.8
99.04510	1.1
101.02444	15.9
103.04019	34.5
105.50809	1.0
111.00825	1.2
113.02459	10.0
115.00381	2.1
117.05570	2.5
119.03523	11.4
120.99678	2.1
143.03481	1.1
156.61577	0.8
161.04567	1.7
177.05829	1.9
179.05626	2.1
186.01010	0.9
191.05621	17.0
263.16943	0.9
265.09305	100.0
266.09518	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	265.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.6
55.67500	0.5
57.03453	2.7
58.00583	1.7
59.01382	49.5
69.51563	2.7
71.01384	24.5
72.36273	0.5
72.99313	2.6
73.02943	1.2
78.95918	0.7
80.43027	0.6
83.01383	1.4
85.02956	24.4
87.00888	1.6
89.02451	24.9
95.01409	1.8
99.04518	1.0
101.02444	16.0
103.04020	39.2
113.02455	9.4
116.49998	0.5
117.05576	2.7
119.03504	11.9
119.38382	0.7
123.00876	0.8
123.77256	0.7
131.03505	0.6
134.04724	1.2
143.03522	0.9
145.05052	1.5
179.05617	1.4
265.09290	100.0
266.09637	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	265.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00360	1.1
57.03473	1.1
68.99300	0.8
68.99574	9.7
72.54560	1.0
95.01425	1.3
99.00903	1.1
108.02148	2.7
109.06628	1.5
121.06628	1.9
124.01688	1.2
134.03725	1.8
135.08145	2.3
136.01656	5.0
136.87329	1.1
139.00404	1.2
149.02403	2.4
149.06090	20.7
149.99591	3.1
150.03232	2.3
152.01164	11.0
163.07687	6.0
164.01158	3.0
165.05576	1.6
167.07201	7.2
173.06117	1.6
177.99124	5.1
178.02678	2.0
179.03633	1.0
179.07155	33.7
180.00687	7.8
189.05550	2.0
191.07173	7.3
192.00659	12.9
194.05910	1.2
206.02234	5.3
206.05925	6.5
207.03247	5.3
207.06631	54.4
208.07033	2.0
210.05354	3.0
217.05081	2.6
219.06639	2.2
221.08203	4.2
221.15433	1.1
222.08989	11.4
223.13368	1.5
235.06131	69.1
236.06424	2.4
250.08484	100.0
251.08853	3.9
265.08374	1.4
265.10825	28.0
265.14435	7.2
265.17990	2.1
266.11032	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	265.1082
Annotation	Goniothalesdiol A
Peak:m/z	Relative Intensity
53.67540	1.5
62.37934	1.9
70.52281	4.8
73.02164	1.6
73.98181	1.4
109.02051	1.7
150.75775	1.6
159.08165	2.6
160.05276	2.0
161.09729	64.8
171.08243	2.2
173.06059	1.7
174.06892	24.1
188.08575	2.3
189.09225	63.3
190.09570	2.2
221.11879	6.6
221.15401	2.3
233.08202	100.0
234.08571	5.2
265.10840	32.3
265.14151	2.8
265.18112	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	265.1083
Annotation	Lachnumlactone A
Peak:m/z	Relative Intensity
51.61286	0.5
57.03435	0.6
60.07294	0.5
65.00328	2.3
67.01910	0.9
75.34418	0.5
81.03472	2.2
83.01389	2.3
83.05024	1.1
85.06593	8.3
87.04523	5.9
96.96043	0.6
98.21796	1.1
105.81429	0.5
106.22735	0.5
107.05025	0.8
109.06604	100.0
110.06956	2.4
111.04533	30.2
112.04938	0.6
118.59049	0.5
123.04564	0.7
125.02477	3.5
127.07742	0.6
133.06595	1.9
136.05318	0.9
149.52135	0.6
151.00375	1.1
151.04132	0.7
151.07668	20.1
151.11301	1.1
153.05591	39.7
154.05956	1.6
155.10788	7.8
165.01915	0.5
172.56540	0.5
177.05623	2.0
177.12892	0.7
179.10791	4.4
193.12323	1.1
195.06642	57.0
196.06975	1.6
197.11853	1.5
221.08521	2.4
221.11830	11.8
221.15260	0.7
247.09787	0.6
260.13022	0.5
265.10828	64.5
265.14301	3.9
265.18158	1.9
266.11118	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	265.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	10.3
57.03443	6.8
58.00599	2.5
59.01382	77.7
59.58985	1.6
68.83852	1.8
69.45286	7.6
71.01385	100.0
72.99308	4.5
73.02946	33.0
75.00889	2.9
77.91426	1.7
83.01393	16.4
85.02957	52.0
87.00866	4.6
89.02444	24.8
91.18615	1.8
95.01398	7.0
97.02933	3.2
99.00880	13.1
101.02449	85.2
101.03120	4.1
103.07646	4.7
111.00890	3.0
113.02451	41.9
119.03505	6.8
134.04723	22.1
143.03564	4.5
159.03014	11.3
161.04562	42.3
168.46785	2.2
182.61284	1.7
192.43736	1.8
226.42862	1.9
265.12927	16.1
266.08841	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1442
Annotation	Rugosal A
Peak:m/z	Relative Intensity
50.38470	0.3
51.38507	0.3
69.28033	0.8
69.28450	1.4
74.19458	0.3
79.95721	0.7
93.91763	0.4
96.96022	21.0
101.06099	0.4
113.09708	2.7
120.95966	0.3
124.91171	0.3
125.06099	18.7
151.11316	1.9
166.06320	0.3
178.75296	0.3
179.03476	2.5
181.08731	2.4
183.31419	0.3
193.05109	0.9
194.05850	4.1
201.21149	0.3
203.92831	0.3
207.06734	0.5
217.67867	0.4
226.04840	1.3
235.09770	7.3
246.01546	0.3
265.14511	100.0
266.14792	4.1
281.32858	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1446
Annotation	Fascicularone B
Peak:m/z	Relative Intensity
52.03983	2.3
69.12581	8.1
69.13003	9.1
76.86330	2.2
81.03451	3.3
93.03477	2.2
98.21840	5.7
99.92588	3.3
105.82686	2.3
115.92108	3.3
121.02984	3.0
124.65306	2.4
131.89749	2.3
135.12560	2.2
221.12111	3.8
221.15477	100.0
222.15775	3.9
265.08139	2.6
265.10800	2.9
265.11398	3.8
265.14465	50.0
265.17694	4.8
266.14841	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	265.1447
Annotation	Hebelophyllene C
Peak:m/z	Relative Intensity
50.35764	0.2
53.95546	0.3
57.03447	0.3
69.02173	2.1
74.95580	0.2
85.02963	0.3
85.06586	0.3
87.04515	1.0
95.05035	0.3
97.06612	0.4
108.02160	0.3
109.02968	0.3
111.04533	0.3
113.09743	2.2
116.90623	0.2
123.04524	0.7
124.05345	0.5
125.06091	1.7
130.97736	0.2
135.08176	4.7
139.11342	0.6
151.11267	0.5
152.04767	0.3
153.05595	0.7
155.07222	0.2
166.06427	0.5
167.10733	0.3
173.06227	0.3
177.09225	0.2
179.07149	41.5
180.07581	1.2
194.09480	0.8
195.10295	0.9
201.05418	0.4
203.14421	0.3
206.05705	0.2
207.06645	0.4
207.34932	0.2
221.15428	1.7
226.08493	0.3
233.08308	0.4
235.09781	0.6
237.07747	0.3
247.13316	0.4
250.12125	5.5
250.65401	0.2
265.14465	100.0
266.14780	4.4
266.75238	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1446
Annotation	Nardoperoxide
Peak:m/z	Relative Intensity
53.50060	0.2
55.01868	0.3
69.45773	1.1
69.46191	0.5
71.05026	2.1
83.37688	0.2
105.55751	0.3
111.04517	0.8
135.08160	1.9
151.04013	0.5
151.11240	0.5
163.07625	2.5
165.09229	0.4
179.07146	24.4
180.07552	0.5
181.08717	1.5
191.03621	0.3
192.04269	2.1
194.09532	0.4
198.60782	0.3
202.48758	0.3
206.13080	0.4
207.06633	32.8
208.07014	1.0
209.08217	2.4
219.82445	0.3
221.08192	0.8
221.11842	0.5
221.15366	0.4
222.08987	30.3
222.12558	0.8
223.09538	1.5
226.08467	2.4
237.14796	0.4
245.59793	0.3
265.14456	100.0
266.12149	0.5
266.14804	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	265.148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63375	0.3
69.55890	1.1
69.56297	0.6
79.95747	1.9
89.86787	0.3
95.95260	0.7
96.96018	100.0
125.27045	0.4
153.62572	0.3
201.60910	0.3
244.35936	0.3
265.14801	72.7
266.14999	2.8
288.65152	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1811
Annotation	OPC-6:0
Peak:m/z	Relative Intensity
52.41519	1.4
52.66404	1.2
57.03454	12.9
58.23749	1.3
59.01371	7.9
69.43011	6.8
83.05070	1.9
96.96036	3.2
97.06600	5.6
107.08725	2.0
113.09737	61.5
115.00143	1.4
125.09694	2.3
139.11299	18.6
149.09715	4.0
153.12848	1.8
163.11284	2.4
193.22336	1.4
221.19162	18.1
222.93712	1.7
247.17107	2.9
265.15262	3.4
265.18109	100.0
266.18484	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	265.181
Annotation	Tetranor-12R-HETE
Peak:m/z	Relative Intensity
59.01377	6.6
59.89460	1.0
62.89611	0.9
69.03446	2.0
79.14697	0.9
85.16803	1.1
97.06612	1.1
98.22738	1.0
107.31348	0.9
111.00903	1.3
111.08128	1.7
136.88855	1.0
149.09718	4.8
151.11278	3.1
167.10785	57.6
168.11255	1.5
177.09203	2.3
195.10268	11.6
203.18030	3.4
228.10150	1.8
237.18642	1.1
247.17007	17.1
265.18088	100.0
266.18420	3.3
287.72723	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.181
Annotation	Juvenile hormone II acid
Peak:m/z	Relative Intensity
57.03427	1.6
59.01369	1.9
71.03120	2.3
77.67657	1.2
95.05031	3.5
111.04545	2.4
113.02440	3.9
126.62498	1.2
137.02348	1.0
139.03949	1.3
149.02446	1.2
151.04051	1.5
151.07564	1.6
151.11296	4.8
158.02310	1.3
163.11220	1.2
179.07143	1.6
181.08713	2.0
191.10979	1.4
191.14366	1.4
193.12184	1.6
195.10243	4.7
203.14420	3.8
207.06805	1.2
207.10248	7.3
209.11888	1.9
221.08197	3.7
221.11807	2.0
221.15466	8.3
223.13420	4.7
235.06097	1.4
237.07721	1.6
263.12903	1.4
265.10965	7.2
265.14453	100.0
265.18076	59.9
266.14847	4.8
266.18378	2.5
269.48288	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.0671
Annotation	ICM 0201
Peak:m/z	Relative Intensity
59.01375	3.1
69.77679	1.9
71.01388	38.0
71.66398	1.7
85.02928	2.2
86.93726	2.0
98.21729	4.3
113.02438	2.5
115.00388	66.2
116.00691	2.0
121.02955	2.4
133.06622	2.9
134.04689	2.6
136.04056	10.8
150.05621	72.6
150.06828	3.7
151.00714	1.7
151.04033	12.1
164.05461	2.0
190.82489	1.9
204.06693	11.6
222.07727	95.8
223.08060	2.1
248.05693	5.6
266.06702	100.0
267.07111	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	266.0896
Annotation	Adenosine
Peak:m/z	Relative Intensity
59.01377	0.9
69.12267	0.9
69.12687	0.7
71.01395	1.4
73.75957	0.2
85.02951	0.6
87.00906	0.4
89.02456	0.5
92.02562	2.1
99.00854	0.4
101.02469	0.5
102.70266	0.3
103.31431	0.2
107.03649	5.3
109.17979	0.2
113.02470	1.0
116.80684	0.2
134.04739	100.0
135.05209	1.4
176.05780	0.2
266.08954	10.3
267.07126	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0723
Annotation	formycin b
Peak:m/z	Relative Intensity
57.03452	5.0
58.00600	0.8
59.01381	28.4
60.33606	0.5
66.43748	0.5
67.01855	0.8
68.99811	0.6
69.03469	0.9
69.36944	0.5
69.62500	2.7
71.01388	37.8
72.99309	4.8
73.02929	1.6
75.00876	16.5
75.58904	0.5
77.72424	0.5
78.95904	1.6
83.01398	1.2
83.48817	0.5
85.02956	36.5
87.00877	16.9
89.02454	11.8
91.04002	1.2
95.01399	6.1
95.98014	0.5
99.00885	9.4
101.02455	2.1
103.00369	3.4
105.01974	0.6
107.54078	0.5
111.00885	0.7
112.01630	1.0
113.02460	49.3
114.02755	0.7
115.00372	2.4
115.20436	0.5
117.01939	4.0
125.07880	0.6
128.14111	0.5
129.01968	3.0
131.03484	1.8
136.43668	0.5
149.04587	1.0
157.01450	0.9
175.02452	2.9
205.07191	0.8
206.95502	1.2
207.05116	3.0
249.06113	6.2
267.07220	100.0
268.07599	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	22.4
59.01370	7.2
63.81355	1.5
71.20004	1.6
71.27992	2.0
72.99298	1.7
79.95754	3.7
83.05056	2.2
87.00888	11.4
93.03461	10.1
96.77933	1.4
96.96020	5.4
99.04526	27.4
119.05037	5.9
121.02967	5.5
123.04556	2.9
125.02453	1.6
134.03745	4.8
135.04539	1.8
137.02467	2.8
145.06622	3.1
146.03760	10.4
147.04510	18.4
149.02475	6.3
149.06067	4.1
161.06126	5.4
163.04007	2.3
163.07658	100.0
164.04791	10.1
164.87445	1.6
166.03099	1.8
179.07159	13.4
181.59454	1.9
186.47311	1.6
193.01550	2.4
198.01003	1.5
205.08719	18.3
207.04971	2.0
207.06631	11.4
208.03770	6.6
223.06206	5.4
267.02850	3.8
267.05994	2.6
267.08868	18.8
267.11697	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0875
Annotation	Botryolide C
Peak:m/z	Relative Intensity
58.20963	0.4
59.01360	0.6
64.46346	0.5
71.01355	0.8
79.01894	5.5
88.16366	0.5
95.05025	0.6
107.91908	0.5
121.02901	0.6
125.06099	16.6
137.09695	1.1
139.03926	0.5
149.06064	1.6
153.05502	0.6
161.02472	0.7
161.08490	0.6
161.09740	8.7
162.03188	0.8
163.03961	2.0
163.07658	0.5
165.01933	1.0
179.10728	2.3
181.08748	0.7
187.07562	1.3
190.99815	0.8
195.13841	0.7
198.47910	0.5
205.01381	1.6
205.08682	4.8
206.02214	12.8
207.02972	7.3
209.08153	0.7
219.02995	0.6
220.03731	2.2
221.04562	0.7
221.11804	0.7
223.09792	2.4
249.07697	100.0
250.08015	3.5
267.08768	49.7
267.11850	1.6
267.16086	2.6
267.19678	6.5
268.09091	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	267.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15542	1.4
54.05738	1.3
55.01880	6.1
57.03449	6.3
58.00605	2.2
59.01382	97.2
61.52862	1.3
68.12978	1.3
69.03432	2.1
70.12603	3.4
70.12940	1.8
71.01385	100.0
72.01739	1.6
72.99306	4.7
73.02946	24.9
74.99082	1.4
75.00882	3.1
83.01390	14.8
84.62309	1.3
85.02953	43.9
87.00879	8.2
87.04534	3.5
89.02453	40.0
95.01385	7.0
99.00884	10.4
99.89144	1.2
101.02448	79.8
105.05579	13.5
113.02453	38.9
114.22680	1.5
119.03526	14.7
125.02458	2.6
129.01935	1.9
131.03503	1.6
131.36035	1.2
143.03508	4.6
159.02991	8.8
161.04567	41.1
179.05614	4.1
267.07278	7.9
267.10864	42.5
268.11331	2.1
272.56226	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	6.0
57.03447	7.1
58.00584	4.0
59.01382	90.3
70.13107	3.9
71.01388	100.0
72.99297	4.8
73.02947	24.6
83.01387	9.1
85.02954	41.4
87.00886	5.7
87.04509	2.4
89.02450	43.8
90.02751	1.2
90.04548	1.4
92.28192	1.3
95.01393	7.9
97.02975	1.6
97.30862	1.3
99.00874	11.8
101.02447	78.9
102.02802	2.1
103.04044	2.2
105.05579	11.1
113.02462	39.2
119.03503	12.2
125.02408	1.8
129.01999	2.0
130.98254	1.3
131.03535	1.4
143.03493	5.5
159.02968	8.4
161.04567	38.4
179.05630	3.2
222.77039	1.5
227.34605	1.3
267.07324	5.8
267.10849	39.8
268.11169	2.3
277.94376	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.124
Annotation	Pectinolide B
Peak:m/z	Relative Intensity
55.01861	0.6
57.03454	3.9
59.01382	12.2
62.35727	0.5
68.99817	0.9
69.03432	0.8
69.26020	2.1
69.26450	1.9
71.01395	0.8
82.00201	0.6
83.01381	0.9
83.05021	1.9
85.02956	3.6
85.06592	6.7
85.21211	0.6
87.04514	1.0
95.01402	1.1
95.05034	6.0
96.02179	1.7
97.02979	0.9
97.06592	7.0
97.17962	0.5
98.22542	1.1
99.04510	0.7
99.08159	12.2
101.06091	5.4
108.02180	4.6
109.06563	1.3
111.04530	0.8
111.08157	4.3
113.02463	2.6
113.06099	10.9
121.06612	1.8
122.03730	0.8
123.04554	4.4
124.05347	3.4
125.06091	18.2
125.09731	1.4
125.88135	0.5
127.11272	0.6
137.02518	0.7
137.06105	3.5
139.04050	0.8
139.07690	2.9
141.05594	34.9
142.05901	1.1
149.82668	0.5
153.01927	0.8
153.09232	1.6
153.12852	2.7
155.07115	1.3
163.11284	2.2
165.05559	3.7
166.02725	0.7
166.06346	4.8
167.03551	1.7
169.08752	0.8
169.12228	0.5
179.10805	1.8
179.14453	1.0
180.07932	1.6
181.05075	15.4
181.12349	7.7
182.05463	0.6
183.06587	2.1
191.03468	3.2
192.07922	0.9
193.08644	0.6
195.06647	0.8
197.08220	5.5
205.12350	3.9
206.05899	0.9
206.09389	1.1
207.10266	15.2
208.11049	10.7
209.08238	6.5
221.11853	5.3
223.10002	3.4
223.13408	16.5
225.11319	22.8
226.11861	0.6
228.06381	0.9
249.11281	1.6
252.37880	0.6
267.12384	100.0
268.12747	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	267.124
Annotation	Pectinolide B
Peak:m/z	Relative Intensity
51.67297	0.7
52.65865	0.6
57.03450	5.8
59.01096	0.8
59.01381	13.9
59.63789	0.6
61.83951	0.7
64.72736	0.7
69.19884	2.3
69.20311	3.0
83.01379	1.1
83.05030	1.9
85.02958	3.0
85.06600	7.3
87.04480	1.0
95.01397	1.6
95.05025	6.9
97.02937	1.1
97.06596	9.3
99.08163	10.9
101.06081	5.9
108.02172	4.1
109.02976	0.8
109.06609	2.4
111.04548	0.9
111.08147	4.0
113.02433	1.5
113.06090	14.7
121.06599	1.8
122.03752	1.5
123.04533	2.9
124.05327	4.8
125.06091	18.9
125.09723	1.7
127.07670	0.8
137.06065	2.9
139.07664	2.8
141.05589	39.1
142.05956	0.8
151.11284	1.1
153.09233	1.6
153.12875	3.4
155.07127	1.3
163.11284	2.1
164.08376	1.1
165.05609	2.8
166.06366	5.5
167.03523	1.0
169.08711	1.6
179.10782	2.5
179.14343	1.2
180.07927	2.1
181.05072	14.8
181.12340	6.9
183.06612	1.9
191.03526	2.0
192.07822	1.0
193.08676	0.9
194.75333	0.6
195.06599	1.2
197.08165	7.5
205.12341	4.7
205.16162	0.9
206.05850	1.1
206.09590	1.3
207.10295	13.8
208.11082	11.2
209.08229	8.1
221.11876	6.3
223.09959	3.6
223.13400	15.3
223.17107	2.9
225.11327	26.2
228.06624	0.8
249.11211	1.9
267.12393	100.0
267.15771	4.5
268.12723	4.6
285.34882	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1239
Annotation	G3
Peak:m/z	Relative Intensity
54.43018	0.7
54.77064	0.6
55.26366	0.7
57.03451	10.6
59.01363	1.3
68.99800	1.0
87.04528	0.8
103.63247	0.6
111.04520	2.7
123.22681	0.6
123.88034	0.7
127.07695	0.7
133.06709	0.6
135.08160	8.9
139.04005	2.2
146.54465	0.6
151.07669	1.8
153.09232	21.0
153.10463	1.3
163.11290	4.2
167.03485	9.5
169.08731	0.7
177.05576	1.8
179.03548	0.9
179.07159	7.5
179.14380	1.6
181.05060	1.0
182.05838	35.6
183.06241	0.7
195.06523	1.0
197.08202	75.0
198.08504	2.1
203.10849	0.6
205.12323	4.2
221.04518	4.0
221.08218	1.2
223.06140	11.9
223.13382	12.2
224.06630	0.7
249.07840	1.1
249.11330	2.1
267.12378	100.0
268.12784	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	267.124
Annotation	Pectinolide B
Peak:m/z	Relative Intensity
57.03449	12.5
59.01384	100.0
60.25874	1.5
66.84827	1.6
69.00533	10.2
71.05010	3.0
79.95739	4.5
80.96545	2.2
83.05000	2.4
85.02908	1.6
87.00900	2.3
95.04957	1.7
98.22588	2.4
161.13306	5.3
163.11302	33.3
179.14452	20.1
202.82047	1.6
205.12346	18.9
207.10298	4.6
223.13417	74.0
224.13736	4.6
225.04274	4.2
235.73512	1.6
236.09616	3.7
245.18323	1.7
245.98160	1.8
249.14848	2.0
267.06497	2.5
267.12390	33.3
267.16043	7.6
267.19400	1.6
268.06628	6.0
268.12817	2.4
283.88937	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.2
57.03458	8.2
59.01379	19.5
69.03457	5.8
70.62764	2.9
71.01370	4.3
71.05027	6.4
81.03463	39.6
83.05013	2.0
84.02145	3.1
85.02950	4.3
87.00957	1.1
95.05022	3.8
97.02963	19.4
97.06606	1.7
98.03744	3.6
99.04525	70.4
107.05024	1.3
109.06560	1.8
111.08123	1.5
115.04010	12.0
122.03750	1.7
123.08118	2.2
125.02438	1.6
125.09742	6.9
135.08192	1.9
137.02534	1.7
137.09703	4.8
149.06052	1.3
151.11287	27.4
163.11314	3.1
165.12860	4.9
167.10777	7.6
169.12366	3.6
179.10812	2.4
179.14456	10.7
189.12914	2.7
192.11513	2.4
195.13997	1.6
205.12445	1.6
205.16042	1.3
207.13911	33.8
208.11000	1.3
208.14264	1.6
209.08163	2.4
211.07680	1.8
221.15504	9.0
223.09747	2.0
223.13376	4.0
223.16913	2.0
239.07141	3.4
249.11295	4.0
249.15002	12.5
267.06613	18.3
267.12497	12.5
267.16013	100.0
268.07184	2.6
268.16373	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	267.1602
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
58.60203	0.4
68.99796	0.4
69.04910	3.1
71.05019	6.4
73.45358	0.3
98.21706	0.7
98.95604	2.1
101.06094	2.3
111.04513	2.0
125.06094	100.0
126.06438	2.3
135.37166	0.4
155.93600	0.3
195.10219	0.7
197.11839	19.8
198.12187	1.0
217.84377	0.4
223.17088	1.5
239.16707	0.6
249.15036	0.6
267.16068	38.0
268.16379	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	267.1603
Annotation	Elongatol D
Peak:m/z	Relative Intensity
55.01886	0.2
59.01389	0.2
63.30581	0.2
68.16560	0.1
69.67365	0.5
79.75797	0.1
85.31538	0.1
95.05009	0.2
95.61353	0.1
96.60522	0.1
99.08163	0.2
109.02989	0.2
109.06562	0.2
111.04511	0.2
113.06115	0.2
113.09787	0.2
121.06597	0.2
123.04530	0.8
125.02436	0.3
125.06105	0.7
127.07689	0.5
135.08162	0.7
137.02458	0.2
137.06075	0.9
139.04047	0.4
139.07608	0.2
141.05577	0.4
151.03989	0.2
151.07686	0.3
151.11273	0.2
152.08359	0.2
153.12892	0.2
156.04324	0.2
165.05573	2.1
166.06335	0.5
167.07117	0.2
179.05525	0.2
179.07141	7.4
180.07930	22.3
181.08241	0.8
184.07465	0.3
195.10265	5.5
197.11775	0.1
209.08186	0.2
219.10199	0.3
221.08145	0.5
222.08968	0.2
223.13312	0.2
223.17018	0.3
226.08519	0.3
234.12622	0.3
249.07736	0.6
249.12402	0.2
249.14972	3.2
249.80963	0.2
250.15405	0.2
267.16010	100.0
268.08325	0.2
268.16354	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	267.1602
Annotation	Gallicynoic acid B
Peak:m/z	Relative Intensity
52.69437	1.9
53.83686	1.6
57.03442	3.0
67.05531	4.7
68.96023	1.7
69.39684	4.8
69.40104	7.7
83.05012	2.5
85.02950	3.6
87.04517	8.7
98.22530	3.6
111.04536	7.9
111.08172	4.1
113.06150	3.6
113.09714	2.2
125.06136	2.1
125.09623	1.9
127.07660	65.3
127.09116	2.5
139.07655	2.2
141.09209	5.6
151.07666	4.8
153.05609	13.2
153.06699	2.0
153.12985	2.3
155.07159	1.8
157.35777	2.1
165.75542	1.8
169.08723	100.0
181.08678	4.6
197.08212	2.6
202.44202	2.0
209.08229	3.1
223.13499	4.0
223.16968	3.1
224.06900	10.6
237.45941	1.9
249.11353	5.3
262.44666	2.0
267.09253	2.8
267.12384	34.9
267.16019	47.0
267.19196	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	267.1968
Annotation	15-Methoxyisodauc-3-ene-1beta,5alpha-diol
Peak:m/z	Relative Intensity
50.54767	0.9
56.36065	0.8
57.03453	1.2
59.01389	11.1
59.06127	0.9
71.01373	1.7
83.05039	1.3
86.93159	0.9
97.06626	0.9
99.08135	2.3
111.04507	1.6
113.09737	2.4
121.10227	0.9
125.06097	1.4
137.48616	1.0
149.09665	4.7
167.10793	53.2
168.11102	1.1
205.19594	2.1
209.08287	2.4
223.20871	1.1
224.06938	4.5
231.17435	1.5
234.05348	1.4
249.07719	4.3
249.18619	39.8
250.18956	1.5
267.06308	1.2
267.08691	3.3
267.12338	2.0
267.19669	100.0
268.20013	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	269.0093
Annotation	Unknow
Peak:m/z	Relative Intensity
60.45495	0.3
69.48732	0.3
69.58118	0.7
69.58508	0.8
71.07662	0.3
72.99306	1.1
87.04518	0.9
98.21797	0.7
117.03440	0.8
141.03491	2.9
141.05608	0.5
169.01489	0.5
169.02950	8.9
169.04295	0.6
171.04456	0.4
185.02400	1.0
186.95697	0.5
187.47488	0.4
197.02444	7.3
197.04263	0.4
213.01924	1.0
225.01935	0.5
241.01465	1.8
268.00156	0.7
269.00925	100.0
269.21179	0.6
270.01282	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0094
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85533	0.2
59.35936	0.2
65.99402	0.2
66.68518	0.2
70.13101	0.3
70.13447	0.6
77.16296	0.2
84.15867	0.2
87.04498	0.2
100.67792	0.2
103.30073	0.2
117.03519	0.3
119.36868	0.2
127.26712	0.2
141.03447	1.3
145.02950	1.4
147.04579	0.4
153.03452	0.5
157.02959	0.6
169.02968	5.9
170.03334	0.3
171.04602	0.3
173.02386	0.5
185.02444	2.4
195.04419	0.2
197.02469	7.1
197.04283	0.4
198.02809	0.4
201.01865	0.2
213.01944	10.0
214.02368	0.3
215.03633	0.2
225.01926	1.5
231.03026	0.3
240.00630	0.3
241.01448	2.4
252.00452	0.3
268.00171	0.9
269.00922	100.0
270.01279	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	269.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	9.1
57.03443	9.0
58.00588	2.5
59.01380	47.8
60.69512	2.2
69.03445	2.3
69.21505	8.0
69.21924	6.9
71.01387	100.0
72.99315	4.7
73.02953	44.9
83.01393	22.6
85.02961	52.8
87.00883	13.9
89.02461	3.0
94.35191	2.2
95.01382	4.0
97.02984	4.3
98.21771	4.6
99.00900	15.1
101.02448	83.0
110.85864	2.3
113.02459	42.1
113.03188	3.7
115.44482	2.1
120.98740	1.9
125.02505	2.7
142.54018	2.0
159.03009	8.9
161.04575	20.9
166.06342	4.4
181.08688	4.1
201.05911	2.0
207.08617	2.2
209.06056	3.3
225.05565	13.9
226.06401	3.7
253.05083	7.0
254.05936	22.6
269.04755	4.0
269.07870	12.5
269.10870	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	269.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51688	1.1
55.01884	12.8
55.55367	1.4
56.02100	1.3
57.03452	9.0
58.00560	2.1
59.01383	59.2
61.75392	1.2
69.66630	4.6
69.67043	2.3
71.01389	100.0
72.99295	4.1
73.02953	38.5
83.01390	18.3
85.02957	50.7
87.00893	4.9
89.02459	3.2
95.01418	7.3
97.02958	3.9
98.22517	1.4
99.00902	14.1
101.02450	77.3
107.05015	1.6
113.02461	36.2
121.03004	1.3
123.00822	1.9
125.02419	2.4
129.01930	2.2
143.03513	3.8
159.03001	6.4
161.04556	21.3
165.09157	1.3
194.07442	1.4
195.06511	1.4
269.10382	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	269.1032
Annotation	Pentamethoxyacetophenone
Peak:m/z	Relative Intensity
55.01873	0.7
56.80497	0.7
57.03452	2.9
59.01381	6.7
67.01879	0.8
69.03442	1.4
70.12051	1.6
71.01381	2.2
72.99294	0.9
73.02942	3.8
79.01900	0.9
81.03457	1.1
81.41785	0.8
83.01402	2.7
83.05039	1.4
85.02955	100.0
86.03265	1.3
87.00883	37.4
95.05025	1.4
96.96045	2.5
97.02956	1.0
98.21887	1.0
99.04543	4.2
99.08160	2.3
101.02443	1.4
101.06075	5.8
111.00897	6.5
111.04526	1.5
113.02457	1.0
115.04025	2.6
123.00845	0.8
123.04530	5.8
125.02463	7.7
125.06091	11.1
127.07671	3.1
137.02467	1.3
137.06163	0.8
137.09726	1.1
137.85670	0.9
138.03241	3.4
139.03998	2.1
139.07748	1.0
141.05644	1.0
143.03503	4.9
151.00426	2.9
152.01144	2.0
165.09236	1.0
166.02754	4.0
167.03508	13.9
167.07191	1.1
169.08716	80.3
170.02216	1.3
170.09105	1.0
173.06128	0.8
181.08739	1.9
185.04558	5.9
191.07156	1.4
195.06610	2.1
197.08156	1.2
197.63593	0.9
201.05736	0.9
207.10320	0.8
209.04597	3.0
209.08203	40.1
210.08542	0.9
225.05708	1.1
225.07722	1.5
227.09320	0.9
239.05731	1.5
251.09224	4.1
269.04391	7.2
269.07089	2.9
269.10315	46.3
270.10760	1.6
286.63919	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1033
Annotation	Pentamethoxyacetophenone
Peak:m/z	Relative Intensity
55.01875	3.9
57.03451	5.1
59.01382	2.6
67.01878	3.4
68.99798	1.1
69.03461	1.2
69.54444	1.0
71.05020	2.8
73.02954	2.0
75.59206	1.1
83.05031	7.3
85.02970	1.3
85.06598	5.7
87.00880	2.0
87.04521	100.0
88.04861	1.9
88.78962	1.2
95.05045	3.5
97.06599	11.2
99.04521	3.7
99.08163	33.3
101.06075	6.6
109.06587	4.1
111.00891	1.3
111.08144	6.3
112.01681	1.0
113.02460	3.4
113.06100	59.5
115.07647	2.4
122.03750	15.1
124.25671	1.0
125.02441	1.0
125.06105	3.2
125.09694	2.0
126.03230	3.2
127.03992	2.4
127.07669	30.9
128.19646	0.9
129.05592	1.9
136.05389	1.1
137.06100	21.4
138.03227	1.6
139.00392	2.6
139.04022	25.5
140.04372	1.3
141.05589	91.6
141.09195	9.5
142.05946	3.4
153.05594	7.2
155.07144	40.7
155.10780	1.2
156.07521	1.2
157.59007	1.0
163.11288	8.8
165.05582	2.6
165.09180	1.5
167.03539	2.5
169.05089	4.6
169.08719	16.5
169.12347	1.5
171.06621	1.4
171.28262	0.9
179.10770	2.3
181.05084	10.6
181.12350	13.2
182.05807	9.7
183.06636	12.0
183.10252	1.3
186.05415	2.7
192.07967	1.6
197.08136	1.7
197.11871	11.0
199.06139	17.8
202.62044	1.1
207.10274	29.7
218.56198	1.0
225.11331	17.7
226.04887	1.0
254.05893	1.2
269.10333	80.3
270.10645	2.0
275.56506	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	3.5
57.02962	1.1
57.03464	5.8
59.01391	2.8
60.55069	1.3
67.01894	4.6
69.03412	1.6
70.11168	3.9
71.05027	3.6
73.02939	2.7
78.45260	1.2
81.24886	1.4
83.05042	8.6
84.02193	1.2
85.02961	2.4
85.06582	1.9
87.00864	1.2
87.04522	100.0
95.05037	2.3
97.02937	1.8
97.06598	13.3
98.39177	1.1
99.00881	1.9
99.04541	5.4
99.08162	36.7
100.08546	1.4
101.02467	1.6
101.06080	7.5
104.31129	1.3
109.06592	5.6
111.00910	1.3
111.08167	4.8
113.02475	1.8
113.06099	54.6
114.06431	1.3
122.03745	13.2
125.06110	3.7
126.03246	4.3
127.04029	2.4
127.07653	32.1
129.05695	1.7
131.23013	1.3
137.06099	21.9
139.04018	24.0
141.05591	80.1
141.09224	8.9
142.05861	2.4
143.07137	1.5
153.05574	9.2
155.07158	40.4
155.08418	2.0
155.10710	2.6
156.07503	1.2
162.12851	1.2
163.11273	5.8
167.03487	1.3
169.05092	2.6
169.08716	15.6
169.12262	1.2
179.10829	1.4
181.05058	9.4
181.12363	12.2
182.05811	9.9
183.06583	7.5
186.05409	3.3
192.08043	1.6
197.08189	2.4
197.11894	11.7
199.06117	16.6
207.10260	21.1
225.11349	15.8
225.14932	6.0
226.04764	2.1
269.04504	11.7
269.10349	77.1
269.13885	8.2
269.17651	4.7
269.21292	1.6
270.04886	1.6
270.10776	3.9
288.93585	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	9.5
59.01373	0.9
61.31536	0.1
69.03473	0.8
71.05009	0.2
71.28502	0.2
73.10378	0.1
80.02715	0.1
80.03225	0.1
83.56486	0.1
87.04527	0.3
103.87942	0.2
113.09743	1.0
118.63673	0.2
120.59641	0.1
121.06601	0.2
125.09724	0.2
137.09729	8.6
151.11320	0.2
153.09247	0.9
153.12837	0.3
155.10789	42.7
156.11105	1.0
163.11287	2.7
165.12857	11.0
166.13252	0.2
179.14427	0.9
181.08719	17.2
181.15988	6.2
181.17638	0.2
182.09070	0.3
189.12932	0.2
199.09822	1.5
202.14333	0.2
205.12389	0.7
207.13899	10.7
208.14186	0.3
209.11891	0.2
222.13162	0.2
225.14973	17.4
226.15392	0.7
251.12886	4.8
251.15492	0.3
252.13156	0.3
269.13956	100.0
270.14313	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	269.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13727	0.4
57.03180	0.8
57.03450	9.0
59.01381	0.7
68.98904	3.4
69.03467	0.6
112.07197	0.4
121.06623	0.4
135.57817	0.4
137.09735	7.6
153.09212	1.0
153.12883	0.5
155.10789	41.4
156.11096	0.9
163.11330	2.5
165.12857	9.0
179.14453	0.7
181.08711	18.6
181.15991	5.6
182.09009	0.5
199.09840	2.0
201.77025	0.4
205.12495	0.4
207.13916	8.9
225.14967	17.6
230.28806	0.4
238.21600	0.5
251.12863	3.9
269.13947	100.0
270.14304	3.6
292.99481	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94037	0.7
57.03450	51.6
59.01388	5.7
69.03455	1.1
71.28571	1.1
81.65782	0.9
83.05015	2.3
97.06593	1.0
123.08179	9.1
125.03261	0.8
137.97603	0.8
139.11278	1.2
142.50647	0.8
151.11256	1.3
153.09230	4.9
167.14401	8.1
193.12297	1.6
201.85823	0.8
209.11923	1.2
211.13402	100.0
212.13696	4.8
225.14996	3.3
225.18593	3.1
251.12840	1.2
269.04446	1.3
269.14066	6.7
269.17584	68.0
270.17953	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	269.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50267	0.8
57.03445	7.7
59.01369	2.3
65.00317	3.3
70.09627	1.7
70.09990	2.0
71.05009	3.4
72.02168	1.2
83.05025	0.8
83.73832	0.8
85.02946	1.6
87.04521	100.0
88.04839	1.1
98.21794	0.9
99.04538	4.1
107.01409	4.1
117.03483	17.1
121.02973	1.3
121.40095	1.0
127.07676	1.1
137.09726	5.1
149.02469	6.7
151.00385	8.1
155.07211	5.5
155.10803	14.4
159.04552	1.4
163.11354	4.9
165.12825	2.8
181.07066	1.2
181.08699	7.6
181.15997	3.3
183.04535	1.2
186.95622	2.6
189.12805	1.2
189.16472	0.9
197.06024	1.1
207.13911	8.9
207.17564	7.0
225.05602	4.0
225.14966	10.0
225.18648	1.0
227.03482	1.8
251.13005	1.5
251.16336	0.8
269.04556	75.5
269.13953	40.9
269.17581	40.1
269.20679	1.3
270.04904	3.6
270.14368	2.4
270.17899	2.1
284.35602	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	7.7
61.95259	1.1
65.00333	1.9
68.48992	1.3
69.03423	1.2
69.24380	8.1
71.05008	3.2
72.02150	1.9
83.05023	1.3
87.04520	100.0
88.04836	1.8
99.04497	5.6
99.31293	1.3
107.01382	3.9
117.03473	11.7
121.02946	2.8
132.71315	1.4
137.09720	4.7
149.02417	4.4
151.00406	5.6
155.07147	4.5
155.10780	16.4
163.11340	5.7
165.12866	3.0
181.08746	6.8
181.15976	3.0
186.95547	2.0
189.12823	2.2
207.13907	10.5
207.17461	5.9
209.15517	2.2
225.05563	2.6
225.14977	12.2
251.12801	1.9
251.16356	1.6
263.66327	1.1
269.04562	53.3
269.13965	48.3
269.17581	48.6
269.20621	1.7
270.04846	3.0
270.14252	1.5
270.17786	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.9868
Annotation	Plakortamine B
Peak:m/z	Relative Intensity
59.01382	1.0
61.12443	0.8
63.02398	1.2
65.00322	4.2
69.50056	2.9
70.96496	0.7
74.88383	0.9
75.02402	2.2
80.52834	0.8
83.01375	1.6
87.02390	0.9
93.03476	1.2
103.01927	2.8
107.01394	3.7
111.02847	0.8
115.01897	1.5
119.01374	2.1
119.05035	6.6
131.01395	10.8
133.03009	1.0
137.02461	0.9
143.01460	3.8
143.05049	1.5
145.02963	2.0
146.62386	0.8
147.00908	2.0
151.00385	13.2
159.00888	13.2
165.02002	1.0
171.00911	6.8
171.04541	1.5
175.03986	1.0
183.04359	0.7
185.06068	1.7
187.00388	24.5
187.04004	2.2
195.04515	1.5
195.40121	0.7
198.03287	1.1
199.00453	2.0
199.03984	3.2
201.02042	1.3
209.15515	1.3
211.02423	1.1
211.13382	0.9
213.05693	3.7
214.99870	20.8
215.03484	2.7
216.00209	0.8
227.03551	3.1
227.07256	1.3
241.05075	11.8
242.99355	39.4
243.03113	3.6
243.99734	1.6
256.07419	6.6
270.98862	100.0
271.02444	39.2
271.06119	8.1
271.09738	5.3
271.15543	2.7
271.99246	3.8
272.02777	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.025
Annotation	1,7-Dihydroxy-2,3-methylenedioxyxanthone
Peak:m/z	Relative Intensity
54.02897	0.4
63.96709	0.4
114.94033	0.5
123.04573	0.6
125.02489	0.5
129.34296	0.4
129.55489	0.4
133.02977	0.6
137.02449	0.6
143.05034	2.9
150.28171	0.3
151.00365	0.5
155.05087	0.5
159.04514	1.0
164.01175	1.0
169.02989	0.7
171.04521	4.1
173.02374	0.6
175.04004	2.1
181.03006	0.5
182.03610	0.7
187.04021	7.3
197.02409	1.5
198.03256	2.3
199.04027	5.7
201.01959	1.5
203.03474	1.5
211.02515	0.8
213.01939	1.2
213.03822	0.5
214.02701	3.3
215.03505	13.7
216.03740	0.6
225.01945	1.7
226.02673	2.6
227.03545	2.7
227.12921	0.4
229.01425	0.9
242.02205	3.8
243.02994	28.6
244.03398	0.9
253.01436	2.4
254.02217	0.8
256.07431	0.6
271.02493	100.0
272.02817	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	271.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56478	0.3
51.19899	0.3
52.79143	0.3
53.42989	0.3
55.01869	0.5
58.00587	0.3
59.01087	0.5
59.01381	7.4
59.55856	0.4
65.00300	0.3
67.01885	0.7
68.99823	0.7
69.03448	0.4
70.53934	0.6
70.54258	0.3
71.01388	3.7
72.99307	1.4
75.00893	0.3
78.95913	4.1
79.01945	0.3
82.00634	0.3
83.01400	1.2
83.05044	0.3
87.00861	0.5
89.02462	1.0
95.01394	0.9
95.05069	0.4
95.56225	0.3
96.00896	0.4
96.96034	2.8
96.96972	7.7
96.99285	0.4
97.02966	0.9
97.88122	0.4
99.00888	0.7
101.02453	0.6
107.01383	4.5
108.02182	4.0
109.02978	0.7
110.00103	0.8
111.00887	6.6
121.02925	0.3
123.00903	4.1
123.04573	0.3
123.98299	0.4
124.01647	4.2
125.02462	29.5
126.02796	0.6
127.00388	2.4
131.08281	4.7
136.98828	4.4
137.02466	1.2
139.00395	6.8
139.04012	1.0
140.01183	9.3
141.01979	0.5
148.77287	0.3
149.02472	0.7
151.00357	2.6
153.01967	0.5
154.99893	0.9
155.03493	0.3
156.07594	0.3
165.01941	1.0
166.03053	0.6
166.99866	0.5
167.03502	3.3
168.00662	27.3
169.01445	31.9
170.01723	0.8
173.10451	2.5
181.01439	0.3
183.02995	1.3
193.01360	0.5
211.02496	100.0
212.02809	3.7
253.09456	0.7
254.04643	3.5
271.04617	60.6
272.04929	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	271.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03324	0.4
58.00581	0.5
59.01099	0.6
59.01381	7.4
65.00307	0.5
67.01886	0.8
67.03011	0.4
68.99809	0.7
69.03438	0.5
70.79721	0.4
70.80067	0.5
71.01376	3.3
72.99295	1.5
76.32101	0.4
78.95895	1.7
79.01881	0.6
79.95747	0.5
83.01401	0.8
87.00883	1.1
89.02444	0.9
91.71898	0.4
93.03451	0.4
95.01385	1.1
96.00914	0.7
96.96017	1.6
96.96983	3.4
96.99192	0.4
97.02953	0.9
101.02468	0.5
107.01398	4.3
109.02917	0.8
110.00121	0.8
111.00900	6.3
121.02962	0.4
123.00891	4.9
124.01653	3.3
125.02458	29.6
126.02803	0.6
127.00385	2.4
131.08272	4.7
136.98817	4.6
137.02422	1.1
139.00381	6.4
139.04027	2.0
140.01172	9.6
141.01915	0.4
149.02432	0.9
151.00377	2.7
154.99869	1.5
156.07704	0.5
157.27287	0.4
165.01936	1.9
166.02975	0.5
167.03503	2.7
167.08246	0.4
168.00653	27.5
169.01439	34.8
170.01799	1.0
173.10428	2.0
183.02995	1.0
193.01331	0.6
211.02492	100.0
212.02809	3.0
224.03554	0.4
254.04657	4.4
271.04614	60.0
272.04971	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	271.0613
Annotation	Corynesidone A
Peak:m/z	Relative Intensity
53.99801	1.0
67.14346	1.0
67.87362	1.0
69.29050	2.6
69.29449	4.8
95.01377	1.7
98.08973	1.1
106.50950	1.0
110.23669	1.2
110.29183	1.1
128.96120	1.2
135.74086	1.2
144.30841	1.2
200.04761	1.2
209.19157	4.3
213.01843	1.3
227.03470	5.1
228.04326	13.7
253.18002	2.4
256.03775	100.0
257.04144	3.7
271.06131	82.1
271.19189	6.5
271.22449	2.1
272.06461	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	271.0614
Annotation	2,4,2',4'-Tetrahydroxychalcone
Peak:m/z	Relative Intensity
59.01381	2.7
59.71040	1.9
65.03962	7.3
67.01877	4.5
69.07411	15.6
69.07816	3.2
74.23021	2.0
78.41361	1.9
80.80569	1.8
91.01900	63.9
98.21814	3.9
104.10854	1.8
108.76599	1.8
109.02959	69.1
115.65226	1.9
121.02978	6.0
131.35994	1.9
135.00897	100.0
135.04514	14.2
136.01257	3.2
146.52068	1.7
149.02496	2.4
153.01945	5.3
159.04439	2.6
181.06621	2.9
196.05421	2.1
203.03575	2.2
209.06046	4.8
212.04793	4.1
224.04726	4.2
225.05536	15.6
226.06068	2.5
227.03554	2.7
227.07146	6.9
228.04317	2.9
229.05005	2.3
241.05058	4.7
243.06619	2.3
252.04396	3.0
253.05058	85.6
254.05591	8.0
256.03775	47.5
269.04666	2.4
270.05334	12.0
271.06128	62.7
271.19305	4.3
271.22729	3.1
281.00754	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	271.0614
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
50.47312	0.7
58.81353	0.6
59.18619	0.5
63.02399	13.3
65.00324	21.5
72.97552	0.7
73.66190	0.6
78.24912	0.6
83.01388	13.2
85.22958	0.5
93.03468	17.1
107.01396	31.1
109.02955	0.7
111.08170	0.7
116.48837	0.7
117.03455	0.9
119.05035	86.9
120.05380	2.2
125.02444	2.1
133.02927	1.0
143.05042	1.0
145.02969	2.1
151.00377	81.2
152.00693	1.7
161.06047	1.2
165.01917	4.1
169.01442	3.2
177.01950	11.3
185.06099	1.9
187.03987	3.5
201.73752	0.6
209.15468	1.8
214.99782	0.9
227.07097	1.5
242.99390	1.5
271.06125	100.0
271.15567	3.2
271.19153	1.3
272.06461	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	271.0615
Annotation	CHEBI:68126
Peak:m/z	Relative Intensity
59.88568	0.5
65.00378	0.5
69.23364	2.7
75.95454	0.5
91.73534	0.5
93.03465	1.7
97.06619	1.6
105.54226	0.5
107.05013	0.6
111.08169	1.6
113.99509	0.5
117.03482	1.9
119.05030	1.3
133.02977	0.7
141.07117	2.0
143.05043	19.8
145.02983	1.0
153.07112	0.5
157.06575	3.4
159.06947	0.7
159.08154	3.8
165.07104	0.9
167.05031	5.2
169.06616	1.1
171.04488	0.5
180.05780	4.1
181.06599	7.2
182.07396	2.4
183.04559	4.8
183.08144	6.7
184.05225	1.3
185.06085	22.5
186.06499	1.2
187.04025	0.6
197.06107	4.0
199.07661	0.6
208.05261	4.2
209.04118	1.0
209.06079	13.8
210.03223	0.8
210.06404	0.9
211.04033	4.8
212.04825	3.6
224.04782	1.2
225.05583	14.3
226.06003	0.6
227.07147	69.3
228.07449	3.4
235.03912	1.1
242.99139	0.7
252.04359	1.6
253.05074	100.0
254.05435	4.0
271.02911	2.3
271.06122	54.8
271.15607	2.2
272.06454	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92350	0.4
55.01870	0.5
59.01380	9.4
65.00315	0.7
67.01878	1.2
68.99786	0.7
69.03444	1.0
71.01388	5.5
71.26984	0.6
72.99300	1.6
75.00903	0.4
78.95910	12.4
79.01911	0.5
79.95776	0.4
81.03466	0.7
83.01394	1.6
85.02959	0.7
85.43053	0.4
87.00891	0.7
89.02439	0.9
95.01403	0.7
96.00925	1.5
96.96029	7.5
96.96963	23.4
97.02960	1.3
99.00887	0.9
101.02458	1.8
107.01409	3.7
108.02182	15.8
109.03011	2.3
110.00113	0.6
110.87753	0.4
111.00896	7.0
111.61892	0.4
113.02455	0.5
123.00901	4.8
123.04546	0.6
123.98330	0.7
124.01665	3.7
125.02460	33.1
126.02779	0.6
127.00399	2.4
130.08765	2.8
131.08278	11.6
136.98817	4.2
137.02477	0.7
139.00397	8.6
139.04004	1.3
140.01175	10.1
141.98254	0.5
149.02429	0.5
151.00397	2.5
151.04012	0.9
153.01942	0.7
154.99911	0.8
156.07848	0.7
163.03993	0.6
165.01952	1.6
166.02972	0.6
167.03476	3.2
167.08211	0.6
167.99200	0.9
168.00655	27.2
169.01437	36.3
170.01755	0.9
173.10452	7.9
183.02940	1.1
185.66437	0.5
209.43391	0.4
211.02490	100.0
212.02824	3.0
224.03539	0.7
253.09459	1.4
254.04599	8.3
271.04605	57.0
272.04861	2.0
272.09897	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73881	0.9
57.03446	0.9
59.01382	4.7
70.55518	2.1
71.01366	2.0
72.99306	1.0
75.60665	0.9
85.02955	16.6
85.06589	1.1
87.00885	7.0
87.04532	0.9
95.01408	1.1
95.05025	9.4
101.02424	1.1
108.02187	16.4
109.02966	14.6
111.04528	18.3
111.08137	1.6
113.02464	6.2
113.06108	3.9
117.61452	0.7
123.00875	0.8
125.02450	2.5
141.01955	6.6
145.97385	1.1
155.07156	5.9
161.04582	1.4
169.01393	1.2
174.01688	1.6
181.05118	1.8
183.06635	100.0
184.06941	3.2
199.03914	1.2
207.06703	1.7
211.02615	4.4
211.06122	15.8
213.05559	1.5
214.04709	1.2
241.05092	4.0
253.07210	26.2
254.07620	1.6
256.07492	2.5
270.55188	0.9
271.05933	1.5
271.08356	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	271.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83265	0.4
57.72010	0.3
58.00588	0.5
59.01378	0.8
59.97277	0.3
63.20754	0.3
65.00356	0.5
69.49475	1.7
78.61731	0.3
81.03474	1.6
83.01401	1.0
93.03512	0.4
95.79128	0.3
97.06618	0.4
107.01379	0.5
111.08186	1.4
115.05555	6.8
117.03477	0.9
119.05021	2.1
125.02454	1.2
127.04007	1.6
135.08211	0.5
139.07652	0.7
141.05612	0.4
143.05038	100.0
144.05380	3.0
145.02948	2.4
151.00377	0.9
155.07182	0.7
159.04506	0.3
161.34416	0.4
168.00648	0.4
169.01450	0.6
171.04605	0.7
173.13411	0.4
183.08162	0.6
185.06090	3.0
187.04036	0.7
198.95813	0.4
199.03899	0.5
211.02464	1.5
213.05605	0.6
215.03503	0.6
223.04008	0.4
224.66644	0.3
225.05507	1.0
226.06281	0.4
227.07158	38.4
228.07458	2.0
240.07954	0.4
241.05009	1.7
243.02957	2.0
253.08653	0.9
256.07285	1.6
270.99066	0.7
271.02438	9.3
271.06021	1.2
271.09726	21.6
271.15454	3.1
272.02972	0.8
272.10080	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1917
Annotation	Alismorientol A
Peak:m/z	Relative Intensity
50.59906	0.5
57.03439	1.0
62.92235	0.5
65.49063	0.8
69.10227	1.1
69.10629	2.6
80.54812	0.4
83.81023	0.5
91.03348	0.5
95.05019	0.6
105.68015	0.5
120.66999	0.5
174.59685	0.5
209.19127	62.0
210.19450	2.9
211.60713	0.5
227.20201	1.9
253.18108	49.8
254.18588	2.1
271.02527	0.7
271.19168	100.0
271.22443	4.1
272.19547	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	271.228
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
54.94292	0.5
63.08529	0.4
77.28808	0.4
91.72897	0.5
154.75742	0.6
169.52336	0.5
197.19054	1.2
221.19164	0.9
223.20714	4.4
225.22255	51.3
226.22607	2.7
251.19582	0.6
253.21820	1.3
271.22809	100.0
272.23154	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	271.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
71.28216	0.4
71.43598	0.3
73.29061	0.3
81.08482	0.3
84.55146	0.3
89.89214	0.3
115.43282	0.3
180.15431	0.3
211.20670	1.9
225.22218	1.1
253.21794	1.1
269.21228	0.9
271.02405	0.4
271.22800	100.0
272.23129	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2281
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
63.05050	0.2
70.92714	0.5
73.19916	0.2
89.92619	0.2
92.65159	0.2
114.47596	0.2
148.02275	0.2
153.59525	0.2
225.22252	4.7
251.05637	0.2
253.21736	1.3
269.21207	0.4
271.22797	100.0
272.23145	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	273.0407
Annotation	1,3,5,6-Tetrahydroxy-8-methylxanthone
Peak:m/z	Relative Intensity
63.02389	0.8
65.03956	1.7
67.01885	2.1
71.01389	0.8
71.01789	0.9
81.03467	0.9
83.01376	1.8
91.01903	0.5
93.03479	0.6
95.01417	2.7
107.01375	1.4
108.02177	4.6
109.02957	16.6
111.00900	6.1
112.13805	0.4
119.05056	0.5
123.00899	6.8
124.01690	8.6
131.05008	0.8
132.71103	0.4
135.00865	1.4
137.02487	1.2
139.00365	2.1
145.06578	0.6
157.06638	0.5
159.04555	2.2
161.02457	1.0
167.03578	0.5
171.04550	0.8
173.06042	1.3
174.03142	0.6
175.04001	2.6
183.04518	1.1
185.06129	0.7
187.03995	2.5
189.01874	0.7
190.02707	0.7
199.04002	1.3
201.05533	4.2
202.02679	0.6
203.03528	5.3
211.03987	1.4
213.01938	0.9
217.05016	1.9
227.03473	7.5
229.05052	1.6
230.02249	2.7
231.02954	5.6
245.04605	6.8
255.03026	3.3
273.04053	100.0
274.04407	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	273.0771
Annotation	10-deoxygerfelin
Peak:m/z	Relative Intensity
53.68893	0.8
54.98156	0.8
65.00341	1.1
68.12395	0.7
70.54301	2.0
70.54631	0.9
72.52695	0.7
79.05556	3.9
81.03447	2.3
89.46867	0.7
105.03471	7.1
122.03779	3.9
123.04533	65.8
124.65533	0.9
144.04356	0.8
147.04504	5.6
161.09724	1.1
185.09769	4.1
187.07639	7.8
201.45654	1.1
229.08698	100.0
230.09006	4.7
273.07693	63.6
274.08099	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	273.0771
Annotation	Lecanorin
Peak:m/z	Relative Intensity
52.46705	0.6
55.01881	0.9
57.03443	2.3
59.01379	0.6
63.02385	0.8
65.00318	2.5
70.48637	1.7
71.01381	0.7
73.02946	0.8
79.65210	0.5
81.03462	35.8
83.01388	10.5
85.05143	0.5
93.03457	6.3
95.05015	1.5
99.00888	20.1
99.04508	1.2
107.01395	3.9
117.01952	1.4
119.05038	31.4
120.05347	0.7
123.04537	46.5
124.04860	1.1
125.02460	13.3
135.04526	1.4
147.04500	1.0
149.02434	0.7
151.00381	7.2
155.53250	0.7
166.02763	1.0
167.03508	100.0
168.03780	3.1
173.02440	1.9
173.11833	23.5
179.03551	4.7
187.07677	1.2
189.05585	5.4
201.02005	0.8
229.08772	1.8
245.01019	1.3
245.04715	1.9
273.00793	1.2
273.07703	71.4
273.13528	3.9
274.08112	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	273.0772
Annotation	Phloretin
Peak:m/z	Relative Intensity
52.94531	0.5
57.35240	0.5
59.01381	2.4
59.18928	0.6
63.76268	0.6
64.91437	0.5
65.00316	0.8
67.01905	1.2
69.03468	2.0
69.32858	3.6
71.01373	0.7
81.03491	1.0
83.01403	1.2
95.01410	0.8
97.02966	2.1
98.21765	0.8
110.00156	0.7
111.00863	5.0
123.00914	1.9
124.01719	1.9
125.02457	93.0
126.02816	2.4
127.00394	2.0
136.98825	2.8
139.00417	4.0
140.01166	6.7
151.00375	0.7
154.99876	0.7
167.07179	2.1
168.00690	3.0
169.01436	92.6
170.01773	2.5
184.01276	0.6
211.17001	1.7
213.14966	5.0
273.07693	100.0
273.17233	3.6
273.20737	2.2
274.08011	4.9
292.26151	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75594	0.6
56.01859	0.6
57.03458	3.9
69.03448	0.9
95.05053	0.5
97.06602	10.8
105.24309	0.6
108.24293	0.5
111.44134	0.5
120.58710	0.6
123.08186	5.3
125.09741	84.2
126.10105	1.4
143.10793	1.3
150.69278	0.6
169.08749	2.1
173.02419	1.0
187.09779	100.0
188.10110	2.6
201.01944	0.6
209.28403	0.6
229.08694	0.8
245.01093	0.8
245.08499	0.6
258.05423	0.6
273.04068	0.9
273.07742	2.1
273.13474	1.7
273.17041	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	274.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03970	2.6
67.01876	1.5
69.03458	1.4
71.01388	7.7
71.27124	1.5
72.04536	3.3
72.97537	1.4
72.99306	4.4
73.02955	3.0
75.00876	66.1
77.86208	1.3
79.18033	1.6
81.03471	1.7
82.02982	3.4
83.01446	1.5
87.00886	2.2
88.04018	1.8
93.03453	3.2
95.01389	2.6
95.05038	3.4
97.02964	1.8
98.02495	8.8
99.00901	1.5
100.07700	2.8
108.02181	6.6
109.02938	2.7
112.07717	2.4
113.02492	1.4
115.00374	14.8
121.05373	1.8
122.06139	2.9
123.00901	21.6
123.04525	1.6
124.04016	1.5
125.02453	4.1
127.00264	1.8
127.03990	1.5
128.03569	11.2
128.10835	3.2
134.06172	1.6
135.03201	1.4
136.01668	30.8
136.07681	2.0
137.02451	1.9
137.04816	4.1
138.03238	40.1
138.05574	2.1
139.03952	1.7
140.07188	8.9
146.08237	6.7
150.05605	5.8
152.03549	19.3
152.07201	4.5
153.01907	4.8
154.05159	1.4
158.01408	3.6
158.08171	1.5
159.01053	3.2
164.03545	2.5
166.05061	1.9
166.08713	3.0
167.05884	49.4
168.06538	2.4
170.02226	10.1
172.09850	1.9
179.05807	3.5
180.06674	6.3
182.04680	2.8
182.08229	100.0
183.08574	2.1
184.09836	3.3
185.04549	10.5
196.06154	6.1
197.06935	9.7
198.07689	3.8
200.09306	1.5
212.05925	1.4
212.09291	26.6
215.07964	4.8
230.10332	9.7
256.04529	2.1
274.02686	1.6
274.09320	29.5
275.02094	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	274.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88603	1.4
54.94031	1.3
61.63954	1.3
69.03454	1.5
69.56394	2.5
69.56793	3.9
71.01372	4.5
71.87661	1.5
72.50721	1.5
72.99317	1.5
75.00879	67.9
86.00119	1.4
87.00851	1.5
88.04100	1.6
93.03457	3.6
95.01391	1.7
98.22464	2.7
99.00897	2.2
108.02193	7.3
110.06152	1.5
111.00891	1.7
112.07705	2.7
121.02886	1.6
122.06126	4.6
123.00896	24.2
123.03234	1.4
125.02451	4.8
128.03564	4.0
136.01675	33.3
136.04018	2.5
136.07649	1.4
137.02443	2.8
137.04811	5.7
138.03242	51.1
138.05566	3.2
140.07187	9.3
150.05618	4.9
152.03537	17.6
152.07166	3.7
153.01952	5.3
154.05077	1.5
155.62094	1.4
157.07509	2.0
164.03610	1.8
167.05899	55.6
168.06595	2.0
170.00050	3.6
170.02205	7.8
172.09843	2.5
179.05888	4.0
180.06665	5.9
182.08234	100.0
183.08553	4.3
185.04517	7.7
196.06129	6.8
197.06940	11.9
198.07693	2.6
198.36221	1.4
212.09277	13.9
215.08037	4.9
230.10292	8.3
274.09369	27.2
275.01941	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	275.0201
Annotation	5-(4-Acetoxybut-1-ynyl)-2,2'-bithiophene
Peak:m/z	Relative Intensity
53.17484	0.3
57.90928	0.3
71.28867	0.3
81.12276	0.3
89.03951	0.3
90.87408	0.3
96.96018	0.6
99.00068	0.3
109.02991	0.4
117.03492	0.4
119.05040	1.0
127.05164	0.4
129.03464	1.0
131.04999	0.5
133.02974	0.7
140.34209	0.3
145.02966	2.5
147.04546	3.0
157.02977	1.7
158.03693	0.4
159.04565	1.8
161.02467	0.7
163.04028	2.4
173.02440	3.6
174.03180	0.5
175.03979	3.6
176.01213	0.5
177.01973	0.5
185.02475	3.3
187.04083	0.8
189.01921	1.0
189.05763	0.4
190.02640	1.1
191.03514	3.8
201.01950	8.3
202.02676	1.5
203.03525	8.1
205.01396	1.0
213.01988	1.4
217.01544	0.4
218.02090	0.6
219.02977	2.7
229.01434	22.2
230.01816	1.0
231.03032	3.3
231.06679	0.9
247.02536	1.6
257.00937	20.4
258.01654	10.0
274.01141	1.2
275.01990	100.0
276.02335	4.2
295.74075	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0562
Annotation	YWA1
Peak:m/z	Relative Intensity
57.03436	5.8
69.03431	2.7
71.27016	1.8
81.03433	4.1
83.01381	11.4
93.03514	2.8
93.49014	1.5
95.01358	2.2
95.24443	1.4
96.21472	1.5
107.05029	2.2
109.02949	27.8
115.05509	2.0
116.92863	1.9
117.03484	2.6
117.73924	1.3
119.05023	4.3
121.02949	5.0
123.04512	2.8
124.01674	5.4
125.02458	54.6
131.05066	1.9
133.02957	2.8
133.06595	2.1
135.04541	3.6
137.02461	100.0
138.03136	3.0
143.05022	5.2
145.02988	5.4
145.06619	3.0
147.04562	11.5
149.02446	9.8
150.03178	5.6
151.04108	6.9
157.06567	2.0
159.04532	11.9
161.02400	2.9
161.06070	9.2
162.03123	1.4
163.04008	8.0
165.01945	5.2
165.05579	3.4
166.02751	2.8
167.04999	6.4
169.06651	6.7
171.04504	8.5
173.02412	4.6
173.06067	1.5
174.03281	2.0
175.03999	5.0
180.38370	1.5
183.04504	2.6
185.02437	1.8
185.06110	7.0
187.04021	15.3
188.04752	3.0
189.01793	1.6
189.05586	18.1
190.02603	1.4
190.37714	1.5
191.03537	11.1
195.04573	3.7
201.01984	3.5
201.05516	2.2
203.03502	5.8
203.07222	2.0
205.05135	4.5
207.06650	30.4
208.06993	1.4
210.74773	1.3
211.04025	5.6
212.04803	2.6
213.05592	9.4
215.03438	7.0
217.01384	2.1
229.01489	8.0
229.05042	22.8
230.05493	2.3
231.02931	1.9
231.06653	8.1
232.03444	1.7
233.04575	9.1
239.03452	2.6
247.06113	5.0
257.00903	6.0
257.04559	21.2
258.01462	1.7
275.02011	32.4
275.05594	69.0
276.02124	2.5
276.05859	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	275.0563
Annotation	YWA1
Peak:m/z	Relative Intensity
50.64721	0.9
56.24031	0.9
57.03455	5.2
59.01361	1.8
63.08335	1.1
65.03976	1.6
67.01888	1.8
69.03456	1.2
70.77402	2.2
71.01376	1.2
72.99291	2.3
73.14825	0.9
74.58968	1.0
76.20725	0.9
78.07610	1.0
81.03455	2.8
83.01396	19.3
90.00652	0.9
93.03473	6.4
95.01415	0.9
95.05034	1.7
96.96020	2.8
97.02945	1.6
107.05027	4.0
107.81935	1.1
109.02960	33.9
111.00891	2.4
115.05544	3.4
117.03461	2.8
119.05032	6.4
121.02946	4.6
121.06635	1.4
123.00896	2.8
123.04494	1.3
124.01686	6.6
125.02458	43.6
127.05155	1.4
130.04256	1.3
131.05026	3.5
133.02956	2.3
133.06598	3.1
135.04555	3.1
137.02452	94.4
137.06093	1.6
138.02809	2.9
143.05019	7.0
145.02940	5.5
145.06567	3.0
146.03708	1.8
147.04533	13.4
147.08119	1.3
149.02455	13.0
150.03244	10.1
151.04019	7.6
157.06622	3.3
159.04524	20.5
159.08145	1.6
161.02425	3.0
161.06091	11.8
163.04015	8.6
165.01915	5.5
165.05573	4.9
166.02757	2.1
166.51932	1.1
167.05061	9.6
169.06587	13.2
171.04544	10.7
173.02393	5.1
173.06033	3.3
174.03210	3.0
174.10567	1.0
175.04041	5.6
175.07623	1.3
177.01936	1.8
177.05623	1.6
179.06999	1.0
183.04536	3.6
185.02371	1.2
185.06084	12.5
187.04021	25.3
187.07625	1.6
188.04694	3.3
189.01932	1.8
189.05563	22.1
190.02728	1.3
190.05913	1.4
191.03500	13.4
195.04526	7.5
195.06586	3.6
198.03154	2.0
201.01958	1.5
201.05652	1.9
203.03511	8.5
203.07124	3.0
204.04100	1.8
205.05029	5.7
207.04672	1.7
207.06644	35.0
208.07080	1.3
211.03969	7.0
213.01961	1.3
213.05544	12.1
214.02623	2.0
215.03523	6.3
217.01443	3.1
229.01408	3.1
229.05067	39.4
230.05495	1.9
231.03081	6.5
231.06570	7.9
232.03802	1.7
233.04520	8.2
239.03499	3.2
247.06078	5.7
257.00772	1.6
257.01443	1.6
257.04575	29.2
258.01779	1.5
258.04825	2.4
273.03973	1.5
275.02097	14.4
275.05597	100.0
276.05853	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	276.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62463	38.7
58.60922	45.8
70.44327	100.0
94.33368	42.4
100.49439	41.4
112.82024	39.2
144.83797	46.2
152.91643	44.5
205.67445	41.7
223.11801	41.4
239.22908	42.1
276.16458	67.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0333
Annotation	Unknow
Peak:m/z	Relative Intensity
66.70540	1.4
68.41071	1.3
70.61055	2.2
70.61396	1.9
71.14767	1.3
78.95914	51.3
90.22118	1.4
96.96973	100.0
113.99606	1.8
131.10909	1.4
172.86720	1.6
277.05707	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	277.0392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31959	0.6
62.20410	0.6
68.65054	0.6
71.01407	1.0
71.27943	0.6
72.99265	0.7
73.02938	0.7
78.95935	0.8
79.95735	8.3
80.96516	1.5
85.02974	0.6
95.05006	1.6
96.96028	1.4
110.48907	0.7
120.99635	0.6
121.02992	3.1
123.04531	100.0
124.01622	0.8
124.04872	2.0
125.02451	2.3
132.03081	1.2
137.02493	1.6
140.40028	0.6
152.91768	1.1
165.01923	0.8
167.03520	0.9
190.02745	0.8
197.08197	44.7
198.08554	1.5
205.05161	0.8
211.75623	0.7
215.07314	0.9
233.04608	1.0
233.13754	0.9
277.03888	59.2
277.12915	2.9
277.21710	1.5
278.04276	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	277.0753
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99615	6.9
59.01374	2.1
60.97521	2.7
65.00316	1.8
68.49771	1.5
69.01710	6.2
69.02131	6.1
70.03931	1.4
72.97534	4.5
74.99102	51.4
87.00891	21.5
88.12608	1.4
89.00345	11.4
90.98605	60.6
92.99834	2.0
93.03571	1.3
96.34062	1.5
98.01957	4.5
104.68883	1.5
106.15503	1.4
117.00032	1.6
117.03483	1.7
118.89022	1.4
127.05889	100.0
128.06195	1.7
133.01512	1.5
135.01230	5.5
141.44783	1.8
145.06949	76.9
160.98824	9.4
161.02406	3.4
171.04822	2.0
179.00204	19.3
179.03578	1.7
188.98328	3.3
189.05919	20.5
195.31361	1.3
204.97801	3.4
205.01588	1.7
215.07465	31.5
220.80229	1.4
232.97269	6.1
233.00885	3.7
233.04694	1.9
233.08517	10.5
256.34802	1.7
259.06290	1.6
276.96124	4.0
276.99490	2.1
277.07553	15.5
277.21750	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.8
75.67010	0.6
83.01376	0.8
91.68401	0.7
93.07082	0.7
96.96012	7.1
100.25419	0.6
109.02960	0.7
117.03482	2.2
119.05054	0.8
120.99668	100.0
121.02946	1.3
121.55350	0.7
133.02997	1.1
141.26402	0.6
144.76718	0.6
145.02965	1.7
161.02441	2.4
161.03752	0.7
163.04076	1.4
177.01900	0.7
177.19658	0.6
183.68478	0.7
189.01910	3.2
189.05829	1.8
190.02740	1.8
191.03448	0.8
195.06680	1.8
196.31627	0.6
205.01396	1.8
217.01369	4.8
220.94652	0.8
233.00986	3.8
233.08318	0.9
234.01671	1.1
245.00717	1.1
249.04164	1.7
277.03522	8.9
277.07532	8.3
277.21808	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0931
Annotation	Tuliposide A
Peak:m/z	Relative Intensity
55.01874	7.2
57.03437	5.0
58.00611	2.5
59.01379	43.5
69.03467	1.6
71.01385	100.0
71.05032	4.6
72.01702	2.5
72.99322	6.1
73.02950	27.8
75.00879	2.7
75.88742	2.1
78.95920	6.6
82.02544	1.6
83.01390	16.6
83.05042	2.0
85.02954	47.7
86.78918	1.5
87.00890	4.2
87.62962	1.7
89.02441	10.8
95.01383	8.6
96.00912	1.8
96.96975	3.6
97.02953	4.0
98.87684	1.5
99.00877	15.4
101.02448	55.3
102.02753	2.0
111.04585	2.0
113.02463	38.2
113.03353	2.4
113.03535	2.1
113.99624	2.8
115.04020	48.2
119.03539	4.7
120.99658	3.7
125.02476	2.4
126.04322	2.3
128.03540	2.7
129.00212	1.9
129.01971	2.7
134.97067	10.3
143.03598	2.0
148.04048	2.5
159.03018	7.6
161.04573	27.7
168.99973	3.1
176.98056	2.5
178.96107	2.9
189.05899	2.5
199.01021	2.5
233.10289	9.4
276.98257	4.8
277.09213	14.9
277.12448	3.0
277.21667	2.9
298.84894	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	277.1294
Annotation	Pentoxifylline
Peak:m/z	Relative Intensity
52.14187	1.1
57.03458	1.0
59.01377	6.9
71.22881	1.1
71.27471	1.6
72.99299	2.4
73.02939	3.0
73.87164	1.0
79.02821	1.2
83.01376	1.8
83.05000	1.4
85.02951	1.8
96.96038	1.6
97.02957	1.4
109.02945	2.0
110.42600	1.0
111.04510	1.2
117.17933	1.1
120.99659	4.5
121.02971	1.8
125.02468	5.0
125.09732	2.2
137.02449	4.0
142.36755	1.1
143.10748	1.9
145.02997	1.4
145.06676	1.7
146.08261	2.6
147.04504	1.9
149.02414	1.2
149.06189	1.3
155.10764	5.3
161.02437	2.1
161.06131	1.2
164.97392	1.3
165.02037	2.1
166.02666	1.1
167.03523	4.1
167.10832	1.7
171.10263	13.7
171.97382	1.1
173.06152	1.5
177.01903	1.4
181.05063	1.3
185.11809	4.3
187.04062	1.7
189.05641	1.7
191.03389	1.3
197.11908	4.6
201.11339	17.4
203.07127	1.4
205.05096	2.6
213.11324	5.9
215.07179	3.4
215.12883	10.3
233.00952	2.4
233.04503	1.4
233.08130	1.6
233.13956	39.0
234.14188	1.4
241.10814	1.9
259.06088	3.0
259.11887	21.6
259.99414	1.7
260.12311	1.2
277.00183	1.4
277.03589	3.0
277.07175	8.3
277.12936	100.0
277.21695	2.6
278.13303	3.0
278.81757	1.2
291.47256	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14187	1.1
57.03458	1.0
59.01377	6.9
71.22881	1.1
71.27471	1.6
72.99299	2.4
73.02939	3.0
73.87164	1.0
79.02821	1.2
83.01376	1.8
83.05000	1.4
85.02951	1.8
96.96038	1.6
97.02957	1.4
109.02945	2.0
110.42600	1.0
111.04510	1.2
117.17933	1.1
120.99659	4.5
121.02971	1.8
125.02468	5.0
125.09732	2.2
137.02449	4.0
142.36755	1.1
143.10748	1.9
145.02997	1.4
145.06676	1.7
146.08261	2.6
147.04504	1.9
149.02414	1.2
149.06189	1.3
155.10764	5.3
161.02437	2.1
161.06131	1.2
164.97392	1.3
165.02037	2.1
166.02666	1.1
167.03523	4.1
167.10832	1.7
171.10263	13.7
171.97382	1.1
173.06152	1.5
177.01903	1.4
181.05063	1.3
185.11809	4.3
187.04062	1.7
189.05641	1.7
191.03389	1.3
197.11908	4.6
201.11339	17.4
203.07127	1.4
205.05096	2.6
213.11324	5.9
215.07179	3.4
215.12883	10.3
233.00952	2.4
233.04503	1.4
233.08130	1.6
233.13956	39.0
234.14188	1.4
241.10814	1.9
259.06088	3.0
259.11887	21.6
259.99414	1.7
260.12311	1.2
277.00183	1.4
277.03589	3.0
277.07175	8.3
277.12936	100.0
277.21695	2.6
278.13303	3.0
278.81757	1.2
291.47256	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1439
Annotation	alpha-CEHC
Peak:m/z	Relative Intensity
53.38203	0.4
54.43931	0.4
55.01883	0.8
57.52799	0.4
59.01370	1.5
61.61917	0.5
63.50282	0.5
69.34849	1.0
69.35257	1.6
73.02930	0.8
79.01885	1.6
85.06562	0.5
89.00346	1.4
89.51291	0.4
93.07126	0.4
95.05054	3.0
97.02946	0.6
99.08156	0.5
107.08671	1.1
109.06608	0.7
111.04525	1.7
119.05024	1.0
119.08688	0.6
119.55779	0.5
121.06529	0.5
122.03712	0.6
123.08173	0.9
125.06091	6.5
125.09696	1.3
133.06627	1.0
137.09720	2.6
138.03218	1.5
149.02449	0.6
149.09740	3.7
151.03973	0.7
151.07671	2.5
160.98788	0.7
163.07635	0.7
165.09181	1.0
166.02769	0.6
175.07666	1.6
177.05560	0.6
177.12900	1.2
191.03549	0.8
191.07080	0.6
193.08704	15.1
201.09126	0.7
204.04251	2.1
204.97643	0.7
205.05028	1.9
207.10249	1.8
219.06612	4.6
231.13913	6.5
233.08125	2.7
233.15486	7.9
235.26105	0.4
247.09743	3.2
259.13437	2.1
261.11429	0.6
277.14456	100.0
278.14798	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	277.1445
Annotation	alpha-CEHC
Peak:m/z	Relative Intensity
55.01871	0.5
59.01374	0.5
79.01917	1.8
80.02686	0.5
93.07107	1.2
95.05038	3.5
97.02936	0.8
98.21748	0.9
99.08189	0.4
101.06075	0.5
107.05053	0.4
107.08679	1.2
108.43447	0.3
119.05025	1.3
120.05771	0.4
121.06559	0.3
123.92490	0.3
125.06094	6.7
125.09731	1.3
131.08679	0.6
134.07417	0.6
135.04506	0.4
135.14616	0.3
137.06203	0.4
137.09721	2.8
138.03247	1.4
149.02382	0.5
149.09724	4.2
151.07680	3.0
163.04022	0.7
165.09225	1.0
166.02745	0.6
173.06084	0.5
175.07619	1.5
177.05627	0.5
177.12866	1.0
178.06367	0.3
188.08473	0.8
191.03497	0.7
191.07094	0.5
193.08704	17.2
194.09009	0.5
203.03569	0.4
204.04292	1.6
204.07817	0.3
205.04958	0.9
216.11472	0.5
219.06610	4.4
229.08694	0.6
229.20648	0.3
231.13908	4.5
233.08217	0.8
233.15479	9.2
235.09767	0.4
244.10947	0.4
247.09795	2.8
249.14899	0.3
259.13348	1.8
262.11792	1.2
269.62897	0.3
277.14465	100.0
278.14795	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1445
Annotation	alpha-CEHC
Peak:m/z	Relative Intensity
55.01869	0.4
59.01385	0.5
63.74440	0.3
67.05529	0.3
71.04955	0.3
79.01904	0.7
79.05517	0.3
85.06590	1.7
87.04527	0.8
89.00300	0.3
95.05026	0.6
98.21802	0.6
107.05084	0.5
107.08675	0.4
109.06588	3.0
111.04531	7.9
121.06554	0.3
122.03736	0.3
123.04598	0.3
123.08173	2.2
125.06070	0.9
133.06573	0.7
134.07346	0.4
137.05966	0.3
138.03209	0.4
139.11255	0.8
147.04532	0.3
149.09755	0.3
151.04060	0.6
151.07622	0.6
160.98790	0.3
161.09749	0.3
162.03130	0.3
163.04094	0.6
163.07596	0.4
163.11304	2.5
164.04771	0.8
165.09206	3.3
166.02721	0.5
173.06085	0.4
177.01952	0.4
177.05539	0.3
177.12880	1.4
179.03532	0.3
179.10777	0.6
180.04311	0.5
186.06621	0.3
187.07603	0.3
188.08392	0.7
189.05629	0.3
189.09264	0.7
190.02641	0.6
191.03543	2.1
191.07129	0.4
191.14404	0.3
192.04253	0.3
193.08705	1.0
204.04335	0.4
205.08710	0.4
206.09436	0.7
207.10275	7.6
208.07481	0.3
215.14449	0.4
216.11531	0.7
219.06616	6.1
221.08183	1.0
222.08917	0.9
231.13911	7.3
232.14310	0.3
233.08192	5.0
233.15469	8.3
234.05286	0.4
234.09024	1.5
247.09756	0.4
249.15031	0.5
259.13416	2.8
271.68625	0.3
277.14453	100.0
278.14810	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	277.1447
Annotation	alpha-Cehc
Peak:m/z	Relative Intensity
59.01373	7.3
61.70509	1.1
65.83352	1.1
69.20302	8.9
71.05025	43.7
81.03448	3.5
83.05018	2.2
93.03489	1.7
95.05028	4.2
97.06583	2.4
101.85088	1.2
107.05054	3.6
109.02964	2.5
109.06602	53.4
111.04549	11.4
121.06626	2.9
122.03704	1.8
123.04476	2.8
123.08130	3.1
125.09776	1.3
135.08179	1.7
137.06102	2.2
147.04535	1.5
147.08191	10.7
149.09695	1.9
150.06862	2.3
151.07654	2.5
159.08176	1.5
160.98802	1.5
161.06113	2.2
161.09743	23.3
164.08423	2.9
165.09215	68.5
168.35820	1.3
175.07599	4.9
175.11301	3.0
177.12857	39.9
179.10721	3.2
187.07716	2.2
191.10765	2.2
195.10278	16.9
199.67551	1.3
203.10826	3.6
205.12386	3.1
207.13866	3.5
215.14420	27.9
221.11852	5.9
231.13693	1.5
233.11835	5.8
233.15469	18.4
259.13397	46.8
260.13705	2.8
276.61304	1.4
277.10941	9.6
277.14450	100.0
278.14755	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	277.1447
Annotation	Hyrtiosenolide B
Peak:m/z	Relative Intensity
55.01866	1.6
59.01368	4.2
60.31945	1.1
69.03432	1.1
69.23976	7.6
71.05024	37.4
71.23653	0.9
78.55737	0.9
81.03470	2.5
83.05022	2.1
93.03448	2.3
95.05017	2.0
97.06574	1.5
106.04210	1.5
107.05040	4.6
108.99963	0.8
109.06597	40.9
111.04530	9.6
112.57304	0.8
119.04993	1.2
121.06596	1.9
123.04475	2.3
123.08163	1.2
125.06047	1.9
135.08200	1.9
147.04466	1.2
147.08160	10.1
149.06067	1.0
150.06876	1.1
151.03951	1.1
151.07652	1.4
160.98798	1.2
161.06099	1.6
161.09729	21.0
164.08398	2.0
165.09215	59.9
175.07623	4.6
175.11313	1.4
177.01988	2.2
177.12851	31.6
178.02722	1.1
178.13248	1.3
179.10779	2.1
191.10736	1.2
192.07872	1.4
193.08717	2.2
203.10847	2.0
205.01419	1.8
205.05083	1.5
207.13812	1.3
215.14424	24.9
219.06770	1.3
221.08289	1.6
221.11829	3.7
230.05794	1.2
231.13927	4.9
233.08147	1.6
233.15492	17.8
248.04520	1.6
248.06926	21.2
249.07556	1.7
249.11249	1.4
259.13391	44.1
260.13629	1.5
277.07489	2.9
277.10907	13.7
277.14447	100.0
278.14798	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	277.1448
Annotation	alpha-CEHC
Peak:m/z	Relative Intensity
52.13850	0.9
59.01376	8.5
59.02003	1.1
60.55356	0.9
74.17649	0.9
96.99834	1.0
121.02921	2.2
133.02940	1.0
134.26140	0.9
152.91765	1.4
159.75734	0.9
163.11279	5.9
175.11346	1.1
194.92749	1.6
204.97852	1.4
213.12816	2.0
215.14430	16.2
216.14745	1.0
231.13898	19.8
233.15500	13.0
262.83224	1.0
266.84564	1.0
277.14481	100.0
278.14932	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	277.2175
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
54.83420	0.4
58.36779	0.4
59.01372	2.2
69.02771	1.3
69.03194	2.1
71.01381	1.1
71.36112	0.4
77.58989	0.4
86.21452	0.4
127.07701	0.6
145.39693	0.4
160.98820	0.5
194.52690	0.4
233.22768	0.6
275.20300	0.5
277.21741	100.0
278.22092	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	278.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44198	0.9
53.81371	1.0
54.97542	0.8
77.79956	0.9
86.06121	13.1
97.02973	1.1
114.05600	1.5
115.04031	1.3
117.03466	6.6
119.05038	100.0
119.52898	0.8
120.05360	1.9
132.06677	48.4
133.07036	1.0
145.02966	61.0
146.03308	2.7
146.08275	0.9
147.16626	1.0
149.28850	0.9
158.03296	1.0
158.04596	16.8
162.05624	2.3
165.82161	0.9
185.94719	0.9
259.99481	1.7
273.05328	1.0
278.10330	41.2
279.10519	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91307	1.0
70.80129	1.0
70.80445	1.5
71.05048	1.0
78.17509	1.0
79.01910	2.0
95.05032	4.2
96.99882	1.2
97.02940	2.0
111.04505	1.6
123.08222	1.2
125.06112	3.4
135.50050	1.0
137.09698	3.9
139.04031	9.5
148.04126	1.1
165.01939	1.7
165.09158	1.5
168.63496	1.0
174.20834	1.0
179.10764	19.4
192.10239	1.7
205.08716	1.3
208.09845	9.4
209.08282	5.3
220.10991	2.5
221.08125	2.3
223.09764	100.0
224.10112	4.4
235.13405	13.9
236.09258	4.7
251.09157	1.2
278.10431	5.0
279.12427	3.4
279.16003	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	279.0432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66954	9.8
59.01386	15.5
62.13283	9.9
68.68151	9.5
70.93353	8.9
71.02492	12.1
71.88361	8.3
91.82235	10.3
95.11972	9.2
123.89709	9.4
159.04495	22.7
175.07683	13.5
191.03391	13.8
241.05095	17.2
243.06602	100.0
244.45731	11.0
279.08902	23.7
279.12473	22.8
279.23489	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	279.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86723	0.1
55.01882	0.4
56.03820	0.1
65.00341	0.2
67.01881	0.2
68.99828	0.6
69.03456	0.7
69.15414	0.3
69.15821	0.6
71.01381	0.2
71.05023	1.6
80.02675	0.5
81.03462	18.3
82.03769	0.2
82.38118	0.1
83.01384	2.4
84.02185	0.5
85.71848	0.1
91.45769	0.1
93.03454	0.3
95.01411	0.2
95.05032	7.7
96.05368	0.2
97.02956	5.4
99.04526	18.5
100.04860	0.2
105.03474	0.7
108.02144	0.1
111.04556	0.3
113.99607	0.4
119.77902	0.1
120.99657	0.2
121.02944	0.4
123.04537	6.6
124.01705	0.5
124.04848	0.2
125.02460	4.2
126.02821	0.1
135.04494	0.1
139.04025	4.2
140.04379	0.2
149.02451	0.6
163.03986	0.2
167.03506	100.0
168.03847	2.5
176.01144	0.3
191.03464	0.4
193.08598	0.1
215.93887	0.1
271.17383	0.1
279.05655	0.2
279.08777	2.2
286.25613	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	279.0875
Annotation	Xestodecalactone B
Peak:m/z	Relative Intensity
55.01867	0.9
57.03453	0.8
57.77669	0.4
59.01376	0.5
67.01897	0.5
69.21307	3.3
79.01891	3.1
80.01401	0.4
83.01393	4.4
85.02955	1.2
85.06602	3.4
87.00865	0.7
87.04528	0.9
95.05032	7.1
97.02949	3.3
97.06602	0.5
98.21794	1.0
100.22672	0.5
107.05055	0.6
109.06607	3.5
111.00900	11.3
111.04529	24.2
112.04875	0.6
119.05095	0.6
121.02959	0.6
121.06615	3.0
123.04538	10.4
123.08178	27.6
124.08492	0.9
125.06120	1.0
135.04562	0.8
135.08171	1.5
137.06117	1.5
139.04008	3.2
141.09250	0.6
147.08150	3.3
149.02441	0.6
149.06110	0.9
150.06873	0.9
151.04037	1.5
153.05598	6.2
163.04059	1.4
163.07639	2.3
165.01929	1.0
165.05606	2.9
165.09227	13.6
166.02791	0.7
167.03508	2.3
167.07150	8.2
168.07471	0.4
173.06105	0.9
177.09232	0.5
179.07109	3.2
179.10815	0.5
181.05103	0.9
181.08739	0.6
188.18248	0.4
189.05597	0.4
189.09241	3.5
191.03513	1.3
191.07117	3.7
191.10823	2.6
191.84349	0.5
193.01495	1.5
193.08710	1.9
205.08713	3.4
206.05859	1.3
207.02943	2.4
207.06638	2.8
207.10291	1.8
209.08215	27.3
210.08577	1.5
217.08716	0.9
219.06735	0.6
220.03773	3.1
221.04651	0.5
221.08217	10.9
221.11845	1.2
222.08945	1.9
233.08200	3.5
235.06143	10.6
235.09755	10.1
235.13388	1.0
235.16943	2.5
236.06815	1.1
236.10535	2.1
237.11435	1.0
251.09270	35.1
252.09650	1.4
261.07739	1.5
261.14987	0.6
271.48154	0.5
279.08807	100.0
279.12375	15.7
279.15771	28.9
280.09158	5.2
280.12634	0.9
280.16370	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0876
Annotation	Xestodecalactone B
Peak:m/z	Relative Intensity
57.03448	1.1
59.01365	1.1
66.13592	0.6
67.01869	0.9
69.02880	1.3
69.03285	4.6
72.58151	0.7
73.02930	0.9
79.01871	3.0
81.03470	1.3
83.01385	3.7
85.02952	1.3
87.04489	0.6
93.09091	0.5
95.05025	4.2
96.96021	1.5
97.02962	2.0
99.04551	0.6
101.95940	0.6
107.05006	0.6
109.02968	0.6
109.06588	1.6
111.00893	12.0
111.04530	21.9
121.06604	2.8
123.00874	0.9
123.04536	10.7
123.08172	23.2
135.04527	0.8
137.06084	1.8
139.04025	2.8
147.04547	1.1
147.08171	2.7
151.07791	0.7
163.04004	1.1
163.07611	1.6
165.01933	1.1
165.05559	3.2
165.09196	7.0
166.02679	0.9
167.03481	2.2
167.07150	6.7
173.06105	0.7
176.04718	0.9
179.07191	1.0
181.05089	1.6
187.07687	0.9
189.09219	2.1
191.03487	1.6
191.07132	2.4
191.10774	2.8
193.01378	1.5
193.08716	1.5
205.05136	0.6
205.08669	3.9
207.02998	2.1
207.06589	1.0
207.10242	2.1
209.08200	14.5
210.08557	0.8
217.08736	1.5
219.02969	1.6
220.03831	3.0
225.98625	0.7
226.01642	0.5
233.08261	5.0
235.06129	11.9
235.09727	10.8
235.17114	1.0
236.06718	0.8
249.07779	1.3
251.09256	37.2
252.09503	1.5
261.07675	1.2
279.08755	100.0
279.12161	3.7
279.15912	3.3
280.09192	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	279.124
Annotation	Tanargyrolide
Peak:m/z	Relative Intensity
53.14533	0.4
54.78183	0.4
54.88087	0.3
71.28127	0.5
75.75246	0.4
79.01893	1.2
84.19355	0.4
85.06622	0.4
87.04539	0.7
91.66212	0.4
95.05011	0.9
97.02921	0.6
109.06522	0.7
111.04524	14.0
121.06670	0.6
121.56121	0.4
123.08176	11.3
123.57097	0.4
139.04024	1.0
147.08180	2.0
149.06015	0.5
157.49068	0.5
163.07657	2.1
165.09213	2.6
166.02744	0.8
167.07118	1.5
173.06039	0.5
191.07092	1.2
193.01414	1.6
194.02203	0.6
209.01515	0.4
209.08221	5.6
215.10719	1.0
217.12372	1.6
220.03812	1.6
233.11830	15.4
235.06123	6.0
235.13437	1.9
237.11371	1.4
251.56119	0.5
261.11304	9.2
271.02142	0.5
279.12387	100.0
280.12711	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	279.124
Annotation	Tanargyrolide
Peak:m/z	Relative Intensity
55.01883	0.8
57.03437	1.6
59.01382	0.8
71.05012	0.7
71.28302	0.7
79.01902	1.3
83.05048	1.3
85.06590	2.1
87.04530	2.4
89.34470	0.6
95.05032	2.7
97.02984	0.8
98.29939	0.5
107.05058	1.3
109.02973	1.0
109.06590	2.5
111.04528	14.7
114.21383	0.6
121.06589	1.5
123.08175	23.5
124.08482	0.7
125.06064	2.4
129.46922	0.6
138.03188	1.3
139.04024	2.7
141.09227	1.2
146.60829	0.6
147.08153	0.9
149.06085	0.8
152.04805	0.8
153.05641	0.8
156.97662	0.7
161.09619	0.6
164.08412	3.1
165.01965	0.9
165.05560	0.7
165.09215	8.2
166.02721	2.3
167.07133	8.0
177.09380	0.7
179.03595	0.6
179.10791	1.7
191.07182	1.2
191.10847	0.7
192.07703	0.6
193.05058	1.6
193.12354	11.0
195.06645	0.6
198.05328	0.8
205.08563	0.7
208.07349	3.4
209.08206	30.5
210.08778	0.9
213.05547	0.6
217.12303	2.4
217.21237	0.6
219.10291	0.9
220.10983	1.4
221.08206	8.5
235.13403	7.4
237.11276	4.6
261.11325	2.6
272.82312	0.6
279.12396	100.0
280.12820	5.1
282.69464	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.124
Annotation	Carolenalone
Peak:m/z	Relative Intensity
55.01880	0.9
57.03447	1.7
59.01376	0.6
69.03458	0.3
71.05013	1.1
73.02956	0.5
73.55402	0.3
79.01910	0.4
81.03469	0.5
83.01412	0.4
83.05035	2.1
83.05497	0.3
85.06596	2.1
87.04533	3.7
93.03453	1.0
93.29577	0.3
94.04218	0.4
95.01387	0.6
95.05052	1.2
96.02116	0.5
97.02966	0.7
98.21779	0.6
99.08153	0.4
107.05054	1.1
109.02970	1.5
109.06607	2.1
111.04533	16.8
121.02959	0.4
121.06587	1.8
123.04530	0.8
123.08176	31.9
124.08484	0.7
125.06113	1.7
135.04550	0.6
135.08232	0.8
136.05370	0.3
137.02493	0.5
137.09721	1.3
138.03255	1.7
139.07599	0.6
141.09235	1.4
146.03755	0.5
147.08170	0.4
149.06090	1.4
150.06856	0.4
151.04024	0.7
151.07671	0.7
152.04774	0.4
163.07634	1.0
164.08430	5.1
165.01987	1.0
165.09224	4.3
166.02733	2.6
167.07152	9.0
175.11305	0.8
177.09200	0.6
178.10031	0.7
179.10739	1.9
180.04384	0.4
191.07201	0.7
191.14496	0.5
192.07881	1.0
193.05074	1.5
193.08670	0.5
193.12341	14.1
194.12711	0.5
203.07176	0.6
205.08682	0.5
207.06635	0.7
207.13878	0.3
208.07426	4.4
209.08199	10.4
210.08488	0.5
217.12370	3.3
219.10217	0.4
220.11053	0.9
221.08212	8.2
222.08832	0.4
223.09700	0.6
235.09769	0.4
235.13425	8.8
235.17015	0.4
236.13841	0.4
237.11340	1.0
246.09010	0.5
261.11243	2.0
261.15042	0.3
264.10196	1.0
279.12393	100.0
280.12747	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	279.1239
Annotation	Anobin
Peak:m/z	Relative Intensity
50.97106	0.4
57.03438	1.6
59.01382	6.7
64.92612	0.5
69.03436	0.6
71.01366	0.4
71.05012	0.5
71.27981	0.6
79.01905	0.7
79.05415	0.4
80.02647	0.6
81.03439	0.7
85.02953	1.7
85.06601	3.8
87.04523	2.2
93.03450	0.5
95.01386	1.4
95.05028	1.9
97.06605	0.7
101.02467	0.7
107.05038	1.3
109.02948	0.7
109.06609	0.9
111.04528	7.9
111.08173	1.3
113.06092	1.1
121.02886	0.6
121.06596	2.0
122.03709	0.6
123.00898	1.4
123.04530	0.6
123.08180	1.9
124.01610	0.7
135.04625	0.6
137.06145	0.6
139.07709	4.1
139.11261	0.5
147.04457	0.6
147.08119	0.8
149.01222	0.4
149.06104	5.4
150.06895	0.5
151.00392	3.3
151.04053	1.3
155.07143	0.8
163.07661	0.9
165.01947	0.8
165.05600	3.5
165.09229	1.9
165.12881	3.0
166.06345	2.7
167.07133	14.2
173.09802	0.4
176.04782	1.3
177.05585	3.5
177.09241	4.3
179.03554	2.4
179.07065	0.7
183.06625	10.8
189.05511	0.5
190.06314	0.6
191.07095	1.4
191.10806	1.2
192.07939	3.7
193.05064	11.5
193.12358	2.3
194.05844	4.7
198.05354	3.8
201.09247	1.1
202.10033	0.5
203.07214	0.8
205.08727	2.0
207.13898	3.3
208.07515	1.2
209.08263	1.2
209.11855	2.9
217.12442	2.6
217.16011	0.5
218.05838	0.9
218.09438	0.8
219.10266	12.3
220.11021	3.4
221.08199	20.4
222.08676	1.0
224.06775	0.6
231.06673	1.6
233.11877	2.3
235.09909	2.4
235.13403	6.5
236.06886	0.8
236.10515	3.5
237.11333	32.0
238.11740	1.2
243.10262	2.1
245.08191	2.3
245.43839	0.4
246.08917	2.1
249.07669	0.6
261.11340	11.4
261.14548	0.7
262.11734	0.7
279.12396	100.0
279.15732	6.4
280.12762	4.6
301.76187	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1238
Annotation	Tanargyrolide
Peak:m/z	Relative Intensity
50.32402	0.8
55.01871	2.0
56.49121	0.7
57.03434	0.8
59.01387	4.0
68.98322	3.0
68.98746	3.5
79.01891	2.5
85.06580	3.0
87.04521	8.3
95.01408	1.2
95.05048	3.1
97.02943	2.6
97.06557	0.7
98.21735	1.3
99.08189	1.1
100.64751	0.7
105.68977	0.7
107.05045	2.3
109.06611	3.5
111.04528	25.9
111.08195	1.6
121.02971	1.2
121.06599	2.8
123.08170	58.3
124.01652	0.9
124.08501	1.4
139.04016	2.6
139.07626	2.8
147.08139	5.4
149.06088	3.2
151.00456	3.9
151.04073	0.7
154.00066	0.7
155.10808	2.3
157.50723	0.9
161.02496	0.9
163.07635	7.6
165.02016	1.4
165.05559	2.4
165.09229	11.2
165.12892	2.9
166.06390	4.0
167.07141	20.4
176.04800	1.6
177.05602	2.4
177.09225	2.4
179.03511	3.1
179.10770	1.7
183.06615	2.8
190.06381	0.9
191.07127	8.6
192.07906	2.8
193.05057	8.4
193.12344	2.9
194.05855	6.6
198.05362	4.0
201.09212	0.8
205.08736	1.2
209.08202	34.5
210.08664	1.0
219.10251	8.9
220.10979	1.9
221.08214	16.2
228.73370	0.8
233.11829	2.4
235.13409	14.5
236.10460	2.4
236.13518	0.9
237.11339	34.8
238.11731	1.2
261.11212	5.5
279.12399	100.0
280.12708	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	279.124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.8
57.23319	0.4
59.01385	2.3
64.12432	0.4
69.13419	0.8
69.13828	2.4
83.05027	1.5
109.06562	1.0
111.04513	0.5
123.04540	0.5
133.06721	0.5
135.08192	1.4
136.42656	0.4
137.09674	0.6
141.09096	0.4
147.08174	1.0
149.09727	5.0
163.11325	1.0
173.09680	0.8
175.11288	16.6
178.09982	0.7
181.08740	4.6
181.12263	0.7
189.12881	8.9
191.14429	100.0
192.14777	4.0
198.19003	0.4
210.08952	1.2
212.13844	0.4
217.12358	0.5
217.16011	2.4
235.13399	23.9
235.17160	1.0
236.13722	1.2
240.19272	0.4
261.14981	1.2
279.12375	25.3
279.15982	9.9
280.12659	1.5
280.15945	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.124
Annotation	Epilaccishellolic acid
Peak:m/z	Relative Intensity
57.03427	0.8
57.23319	0.4
59.01385	2.3
64.12432	0.4
69.13419	0.8
69.13828	2.4
83.05027	1.5
109.06562	1.0
111.04513	0.5
123.04540	0.5
133.06721	0.5
135.08192	1.4
136.42656	0.4
137.09674	0.6
141.09096	0.4
147.08174	1.0
149.09727	5.0
163.11325	1.0
173.09680	0.8
175.11288	16.6
178.09982	0.7
181.08740	4.6
181.12263	0.7
189.12881	8.9
191.14429	100.0
192.14777	4.0
198.19003	0.4
210.08952	1.2
212.13844	0.4
217.12358	0.5
217.16011	2.4
235.13399	23.9
235.17160	1.0
236.13722	1.2
240.19272	0.4
261.14981	1.2
279.12375	25.3
279.15982	9.9
280.12659	1.5
280.15945	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1238
Annotation	Tanargyrolide
Peak:m/z	Relative Intensity
53.60207	0.2
67.05524	0.7
71.29697	0.3
81.03471	0.6
83.05022	2.9
85.06590	0.5
105.07036	0.3
109.02993	0.2
112.84501	0.2
121.10228	3.9
136.05327	1.1
137.09717	0.7
139.04012	0.3
149.06088	0.4
150.06856	0.7
151.04063	0.2
151.07628	1.3
153.05576	6.3
153.06752	0.5
153.09183	0.5
153.55730	0.2
163.07658	0.3
164.08400	0.4
165.05540	0.3
165.09216	8.2
166.09587	0.3
167.07112	0.3
167.37247	0.2
177.05618	0.7
177.09187	0.7
178.01376	0.2
180.72713	0.2
181.08778	0.7
191.14433	2.0
193.12251	0.4
205.08690	3.8
219.10251	0.5
220.11082	6.9
221.11359	0.2
235.13489	1.7
279.12384	100.0
280.12723	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	279.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83720	1.7
57.03444	1.9
59.01390	9.6
61.83709	1.6
69.03432	3.4
69.59631	8.5
71.05020	15.8
80.02704	1.5
81.03487	3.6
83.05026	5.4
95.05035	9.1
97.06559	1.7
98.03763	5.1
107.08679	1.8
107.96449	1.5
109.06591	32.0
111.04524	28.1
111.08153	4.8
112.05320	3.6
115.07681	2.4
121.06608	4.2
123.08176	5.1
127.07667	13.8
135.08150	4.4
145.06590	2.5
149.06117	2.1
149.09724	5.9
162.69595	1.6
163.11307	20.7
167.10793	4.1
176.83432	1.5
179.14432	5.3
181.08708	6.7
194.80986	1.5
207.10327	3.8
217.15985	43.6
218.16252	1.6
223.13411	5.4
235.09827	2.0
235.16953	2.9
243.14020	2.2
261.14963	100.0
262.15295	6.1
279.12421	12.1
279.16013	36.7
280.16348	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	279.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40918	0.3
57.03440	0.5
59.01372	2.0
68.53749	0.3
69.03457	0.4
69.61087	0.5
69.61478	0.9
71.01389	2.2
72.98910	0.5
72.99316	6.8
73.02944	4.4
74.61423	0.4
79.05495	0.3
83.05024	0.5
85.02962	1.9
87.00882	18.4
95.62939	0.3
96.96001	0.6
101.02451	15.9
107.05034	1.1
109.06624	0.4
111.00869	0.4
111.04516	0.6
114.03246	0.4
119.05103	0.4
121.06575	0.8
123.08263	0.4
124.01705	0.8
125.02439	0.5
132.15482	0.3
133.06607	0.9
135.08154	0.4
139.07675	1.0
142.02711	0.9
142.65637	0.3
151.07669	2.7
153.09204	1.6
162.71388	0.3
163.07556	0.6
181.08733	1.0
191.07233	0.7
191.14355	0.4
207.13872	0.6
209.08197	13.5
211.09749	0.4
219.13747	0.3
221.15456	3.2
235.09662	0.4
235.13393	0.6
235.16933	0.5
261.14944	0.9
268.03308	0.3
279.16013	100.0
280.16415	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	279.2331
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
70.92751	0.3
111.04516	0.7
123.08185	0.8
165.00272	0.3
193.12239	0.7
209.08224	0.6
210.05620	0.3
219.56233	0.3
221.08241	0.4
237.11226	0.4
241.73230	0.4
261.22256	0.5
279.12473	5.0
279.23300	100.0
280.23611	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	281.0127
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98336	0.2
53.13955	0.3
53.66940	0.3
53.67215	0.3
54.80149	0.2
59.01352	0.4
69.07626	2.4
78.95923	1.4
80.96525	9.1
96.96034	0.5
119.05015	1.1
129.07120	0.8
129.55766	0.3
145.06677	0.5
156.05798	0.6
157.05382	0.4
157.06602	5.0
171.04500	0.8
173.06097	1.4
174.03192	1.2
183.04527	0.7
184.05246	0.5
199.04021	6.5
200.02902	0.6
200.04805	14.1
201.05586	100.0
201.43280	0.3
202.05933	4.3
234.10852	0.3
237.14996	0.4
237.18661	0.3
255.68962	0.3
259.98355	0.3
281.01306	3.4
281.04550	0.5
281.07840	0.4
281.13928	1.1
281.17484	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95800	2.1
55.01863	2.3
57.03466	10.3
59.01390	16.8
61.91671	2.1
69.71446	4.0
69.71839	4.2
71.01386	75.4
72.99309	2.8
73.02932	3.2
78.73645	2.1
78.95904	6.9
83.01392	3.2
85.02956	68.4
85.07973	2.0
87.00887	28.0
88.96928	2.3
88.98808	8.4
95.01417	8.7
96.95976	2.5
98.21761	2.3
101.02444	4.2
103.00375	4.8
111.00894	6.0
112.01732	2.8
113.02457	100.0
114.02757	2.1
122.01656	2.2
127.04016	2.3
129.01939	7.1
131.48416	2.3
139.00418	2.7
143.03543	2.6
149.02440	5.3
193.05014	3.1
195.66873	2.0
205.07170	11.4
249.06158	4.0
276.83395	2.3
281.08801	90.8
282.09259	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	281.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83262	0.5
51.15379	0.4
51.91512	0.4
57.94428	0.4
60.17898	0.5
67.50552	0.5
68.99818	3.0
71.05016	0.8
75.46838	0.4
77.03986	0.5
79.01903	4.1
81.03460	1.7
83.01369	0.5
85.06603	1.0
95.05028	2.2
97.02960	1.7
105.03403	0.8
109.06577	1.1
111.04521	9.9
112.04874	0.8
113.92522	0.4
121.02988	0.7
123.08165	2.0
125.02474	0.7
135.04538	1.0
139.03993	2.3
145.06596	0.7
147.08176	4.7
149.02441	0.5
149.06120	0.8
163.07643	1.1
165.01945	1.9
165.09196	5.0
167.03511	2.7
167.07155	0.7
173.06094	2.3
176.04831	0.5
190.99887	1.2
191.07132	7.4
192.07538	0.5
193.01462	2.6
193.08623	1.0
209.08202	7.2
210.08522	0.6
217.05052	2.3
219.06628	7.1
220.03792	4.8
228.73143	0.6
235.06126	28.5
236.06450	1.5
237.07693	100.0
238.07994	4.3
281.06689	3.1
281.17557	1.5
303.79053	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19485	1.4
55.01876	7.1
57.03435	5.4
58.00579	4.0
59.01381	100.0
59.16161	1.4
69.75223	5.4
70.78336	1.5
71.01384	88.2
72.01713	1.8
72.99283	4.7
73.02955	23.6
81.01357	1.4
83.01409	11.1
83.40948	1.7
85.02955	35.1
87.00879	6.3
87.04501	2.3
89.02452	51.2
95.01380	6.6
98.75974	1.6
99.00875	8.8
101.02451	77.6
113.02456	42.1
119.03510	17.2
119.07142	13.2
126.98868	1.6
129.01968	1.8
131.03560	2.4
136.72928	1.5
143.03496	4.6
149.04515	2.2
159.02951	5.0
161.03250	3.0
161.04570	39.1
162.03413	1.8
179.05539	5.7
184.99449	1.5
281.12424	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1396
Annotation	Wasabidienone B1
Peak:m/z	Relative Intensity
55.01889	0.3
56.12812	0.2
57.03439	1.0
59.01374	0.8
71.01411	0.3
71.05023	1.6
83.05024	0.7
85.06610	0.8
95.05051	0.4
97.06599	0.4
98.22590	0.4
109.06618	0.3
111.08144	0.4
113.06065	0.6
123.08135	0.2
127.07668	0.9
129.09236	2.5
139.04021	2.1
149.09731	1.0
151.07661	0.3
155.10878	0.4
167.03506	8.8
167.04935	0.5
167.10791	2.3
179.07161	1.0
179.14523	0.3
179.45477	0.3
181.05122	0.3
181.08765	0.3
182.05850	45.2
183.06206	1.3
197.08203	100.0
198.08527	3.5
213.14992	0.8
223.13429	0.3
237.14905	1.0
263.16602	0.5
281.13986	30.7
281.17575	14.8
282.14362	1.6
282.17944	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1396
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
55.01894	0.4
58.86960	0.3
69.05656	2.0
69.06081	1.3
76.80447	0.3
97.06601	1.5
101.19173	0.3
123.04485	0.7
124.05278	0.7
135.08173	6.5
139.11307	0.3
167.10785	2.6
179.07141	65.5
180.07478	2.7
222.12617	8.5
222.14752	0.4
223.06110	1.1
226.08519	0.5
233.08279	1.9
237.14960	62.7
238.08398	0.7
238.15311	3.3
248.10495	2.9
281.13947	100.0
282.14285	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	281.1396
Annotation	Merrillianone
Peak:m/z	Relative Intensity
57.03437	1.0
57.90010	0.4
59.01374	1.9
62.26824	0.4
67.05522	0.6
69.01337	0.4
69.76894	2.1
85.02960	2.3
85.06593	8.0
87.04530	4.3
95.05045	2.2
96.80644	0.4
97.06595	1.4
99.08151	0.5
100.95274	0.4
109.02990	0.7
111.04523	4.4
111.08204	1.4
113.02510	0.6
113.06102	0.5
113.09737	5.1
116.19452	0.4
118.39753	0.4
125.09737	0.4
135.08145	0.6
137.02414	0.6
137.06139	0.7
139.07640	1.2
140.69949	0.4
141.09245	3.5
149.09682	0.8
150.03276	0.9
151.04108	0.5
151.07669	4.4
155.07149	1.4
165.05574	0.5
165.09238	2.1
165.12828	1.5
167.07091	0.5
167.10756	0.8
169.08711	4.1
175.11325	0.6
177.01932	6.9
177.05574	0.7
177.09337	0.5
177.12848	0.9
178.06361	1.4
179.07156	3.5
180.07896	0.8
181.04962	0.5
183.06625	12.6
192.07971	1.3
193.08688	1.6
193.12361	1.6
193.15991	0.6
194.09514	1.5
195.06621	1.9
203.10739	1.0
205.05069	1.3
205.08609	0.5
208.07301	0.8
219.10118	0.6
219.13948	3.1
220.07408	4.2
220.11073	0.5
221.08276	0.7
221.11824	7.5
222.12505	1.5
223.06122	2.0
224.06914	0.7
235.13432	3.9
237.11201	0.7
237.14937	2.1
238.08492	0.6
239.12933	2.3
245.11919	0.7
247.09871	0.5
248.10577	2.0
263.12891	35.9
264.13239	1.8
266.11548	1.7
281.13947	100.0
282.14288	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	281.1759
Annotation	Gallicynoic acid C
Peak:m/z	Relative Intensity
50.02623	1.2
57.03436	1.5
59.01378	5.3
65.50592	1.2
69.03465	4.2
69.51900	5.3
71.01371	1.2
90.40421	1.3
92.02024	1.2
93.07134	1.4
96.96017	4.4
97.06598	1.9
109.06599	2.6
111.08167	29.5
118.19955	1.2
123.08179	2.0
125.06156	2.4
125.09722	12.3
137.09703	1.9
141.09201	5.0
151.07664	3.6
153.09178	2.3
155.10805	1.9
165.09312	1.4
169.08713	100.0
170.09055	2.6
171.10257	4.5
179.07184	3.1
181.08743	1.7
183.10268	5.5
193.08739	1.6
199.09810	6.8
207.06622	2.4
219.17543	4.0
221.08209	2.5
225.07658	3.1
235.17076	7.8
237.07657	1.7
237.14970	4.2
239.09448	3.5
245.15428	1.9
249.07625	1.8
263.16525	18.5
281.04700	1.3
281.10400	5.1
281.14023	9.2
281.17599	30.7
282.18121	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.176
Annotation	Gallicynoic acid C
Peak:m/z	Relative Intensity
59.01365	7.7
70.42204	2.4
96.96030	3.8
98.05592	2.4
105.05792	2.3
108.99198	2.8
113.09751	4.9
137.09729	4.3
139.07727	2.7
139.11244	2.9
141.09241	9.7
155.10812	2.5
165.12854	9.2
183.10156	3.0
191.14450	2.6
191.61348	2.4
209.15555	3.9
219.17523	9.6
237.18604	5.5
263.16565	23.4
269.77832	2.7
281.17599	100.0
281.20724	6.0
282.17899	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	281.2488
Annotation	Vaccenic acid
Peak:m/z	Relative Intensity
56.57957	0.3
64.26884	0.3
68.55960	0.3
69.20311	2.4
72.97832	0.3
92.02885	0.3
128.40985	0.3
281.24869	100.0
282.25208	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0527
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58866	0.2
59.01379	0.3
63.02383	0.4
65.00337	1.5
67.03600	0.2
71.28527	0.4
77.03967	2.2
79.01895	2.8
85.02948	0.6
91.01877	0.4
93.03472	0.6
95.01390	0.7
97.02969	0.9
100.57925	0.3
107.01382	0.4
108.02193	0.8
116.02666	0.3
117.03469	7.6
119.01382	0.4
119.05027	0.5
121.02966	4.0
123.00934	0.3
127.07623	0.3
129.70128	0.2
133.02943	0.4
134.03757	1.0
135.00909	3.6
136.01654	0.8
137.02452	0.4
145.02942	0.4
148.01671	0.4
153.05612	0.3
155.05101	0.3
158.03801	0.6
161.02458	6.0
162.03072	0.8
163.00391	5.2
164.01108	1.0
165.01952	3.0
167.05098	0.5
169.06636	0.3
171.04477	0.4
181.05074	1.3
181.06586	0.7
182.07422	0.4
183.04500	0.4
185.02551	1.3
185.06122	1.8
186.03242	1.7
186.06686	0.4
195.04514	0.9
196.07394	1.2
197.06088	0.5
198.06842	0.3
209.06143	1.3
210.06879	0.6
211.04079	1.5
213.01978	0.3
213.05579	0.9
223.04086	0.9
225.05603	4.3
226.06332	1.4
227.98523	0.3
237.05537	1.2
238.06349	0.4
239.03575	2.0
253.02405	0.4
253.05066	8.0
254.05798	2.7
265.04922	0.6
266.02209	0.9
277.42740	0.3
281.04575	20.5
282.05331	100.0
283.05728	6.1
283.15491	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88910	0.5
59.01382	100.0
60.01720	0.5
66.87965	0.5
69.70773	1.9
75.82153	0.4
96.96024	0.6
105.39554	0.5
141.99992	1.7
143.82700	0.4
157.03563	7.0
159.01448	2.3
184.01022	0.7
201.02565	94.2
202.02742	5.8
208.89384	0.5
281.10571	0.6
283.26303	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34814	0.3
59.01383	100.0
60.01710	0.5
65.28047	0.3
69.63178	1.0
69.63581	0.5
69.89043	0.3
115.02551	0.4
132.52739	0.3
141.01619	0.3
141.99971	5.7
151.72418	0.3
157.03589	6.8
158.03761	0.5
159.01471	2.4
184.01083	1.7
185.01128	0.7
201.02565	89.2
202.02748	5.2
228.84213	0.4
281.07629	0.4
281.10388	0.5
283.26422	3.7
284.01129	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	283.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07755	0.4
55.01845	0.6
57.03444	1.3
58.99605	25.6
59.01377	11.8
71.01385	14.0
72.99312	0.8
73.02946	3.3
74.99066	0.6
75.00872	0.5
77.21699	0.4
83.01384	1.4
85.02962	4.9
87.00879	12.9
89.02444	6.2
95.01373	0.8
99.00891	1.4
101.02439	5.8
102.98603	100.0
103.98969	1.2
104.30909	0.5
111.04514	1.7
111.39733	0.4
113.02468	4.7
119.03542	2.3
120.99696	0.6
123.00880	0.7
143.03539	0.5
146.15625	0.5
161.04564	5.9
165.05545	0.5
165.97435	0.5
179.05617	0.7
183.04588	0.9
211.03972	1.0
221.11919	0.4
227.03568	1.7
239.16539	0.8
249.06140	4.4
255.02994	4.3
265.10651	0.4
268.07541	0.6
283.02377	5.0
283.04993	12.7
283.12155	0.9
283.15494	1.5
283.26315	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	283.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.8
57.03441	1.3
58.99606	24.1
59.01384	11.6
71.01390	12.8
73.02947	2.9
74.99120	1.2
78.05686	0.6
83.01397	1.0
85.02961	5.4
87.00875	11.9
89.02460	5.2
95.01389	1.5
95.87730	0.7
99.00877	1.3
101.02456	6.5
102.98607	100.0
103.98965	1.4
106.24532	0.7
110.62814	0.7
111.04534	2.2
113.02473	5.0
119.03500	2.0
123.00920	1.7
125.02477	0.7
138.03252	1.1
159.02962	1.5
161.04570	5.6
194.75163	0.8
225.05518	0.8
239.07202	1.1
249.06151	5.0
255.02965	1.8
267.06784	1.0
268.07495	1.9
273.24265	0.6
283.02328	2.7
283.04996	14.1
283.11810	2.5
283.15521	2.6
283.26431	4.2
284.05457	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13187	0.3
60.62522	0.3
63.02395	1.3
65.00321	1.0
68.66412	0.3
68.85110	0.4
70.92044	0.5
83.01369	1.2
107.01405	2.4
117.03436	0.6
137.02464	0.5
145.03009	0.3
148.01653	0.7
149.99641	0.8
151.00369	4.0
171.04538	1.2
172.05270	0.8
183.04678	0.3
184.05347	0.5
195.04483	0.6
196.05312	1.2
199.03967	0.3
200.04788	0.8
211.04025	2.4
211.57706	0.3
212.04697	1.3
237.41508	0.3
239.03510	4.5
240.04294	5.5
267.03012	2.9
268.03781	100.0
269.04117	6.5
283.06143	72.8
283.19061	1.4
283.26346	2.0
284.06589	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	283.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40915	0.2
63.02417	1.0
65.00329	0.8
68.84795	0.2
68.85117	0.4
69.52452	0.8
69.52879	0.4
79.81067	0.2
83.01395	1.3
85.02967	0.6
85.06586	0.5
95.04968	0.2
97.02956	0.4
107.01398	2.8
113.06144	0.4
117.03460	5.4
123.00979	0.3
139.04062	0.4
145.82007	0.3
148.01723	1.5
149.02393	0.3
149.99628	0.6
151.00385	3.6
155.07167	0.9
155.31421	0.3
157.48166	0.2
163.04076	0.4
165.01958	0.7
169.01468	0.4
171.04576	1.0
172.05280	1.1
181.12411	0.7
184.05391	0.4
195.04488	0.6
196.05328	1.3
199.03972	0.3
200.04797	1.0
203.27032	0.2
211.03992	2.2
211.13403	0.2
212.04692	1.0
239.03470	4.8
240.04277	5.2
250.06458	0.3
251.12799	1.1
265.18100	0.7
267.03021	2.6
267.05972	0.4
267.06424	0.4
268.03778	100.0
269.04105	5.8
283.06131	84.5
283.19147	1.6
283.26428	0.5
284.06497	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	283.0616
Annotation	Oroxylin A
Peak:m/z	Relative Intensity
58.00587	1.9
59.01367	1.4
69.32046	3.1
69.32453	1.4
77.03979	2.0
79.01905	4.2
82.01362	0.8
83.80386	0.7
95.01430	1.0
97.06630	1.1
98.21763	1.6
107.76928	0.8
117.02668	1.5
117.03477	26.3
119.05019	1.1
121.02967	6.0
125.09779	0.9
127.07649	1.0
135.04543	1.6
139.32016	0.8
154.88321	0.8
155.10805	3.6
159.04486	1.1
163.04019	6.4
164.02136	1.0
165.01967	7.3
195.08130	1.3
209.93739	0.8
213.11353	1.1
215.07253	1.4
224.04700	0.8
239.03551	0.8
239.07181	3.7
241.04958	0.9
253.05058	1.3
264.30453	0.9
265.18036	2.1
268.07306	1.6
283.06137	100.0
283.15979	2.0
283.19098	9.3
283.26453	14.1
284.06494	6.6
293.05453	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.2
59.01389	0.2
62.01970	0.1
62.45464	0.2
65.00335	1.0
69.42346	0.1
69.89120	0.5
69.89475	0.1
77.03976	2.1
79.01900	5.4
81.45084	0.1
83.01392	0.2
87.04539	0.2
93.03471	0.4
97.02960	0.9
107.01414	0.2
109.02895	0.2
117.03471	28.3
118.03799	0.7
119.05031	1.2
121.02969	5.4
122.03304	0.2
135.04536	2.3
137.02444	0.5
145.02957	0.2
148.01675	1.0
159.04501	0.9
161.02452	0.6
163.04024	8.2
165.01938	8.0
166.02249	0.3
169.06633	0.3
170.07440	0.2
171.08151	0.3
177.12781	0.2
180.05881	0.3
183.03047	0.2
183.04546	0.2
183.08160	0.2
185.02417	0.3
193.06502	0.3
194.07381	0.4
195.04514	0.3
195.08119	1.3
195.13936	0.3
196.05276	0.4
197.06149	1.1
211.04030	0.2
211.07660	1.1
215.07159	1.3
224.04776	0.7
225.05238	0.2
227.03502	0.2
227.07076	0.2
237.05605	0.4
238.06442	0.2
239.07153	3.7
239.16425	0.2
240.04108	0.2
240.07568	0.3
241.05080	1.9
246.53601	0.2
247.67049	0.1
255.06520	0.2
265.05093	0.2
268.03745	0.6
268.07333	0.2
270.05273	0.2
281.04639	0.3
283.06131	100.0
283.15143	2.6
283.26416	1.1
284.06470	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0978
Annotation	Baphinitone
Peak:m/z	Relative Intensity
70.29615	0.4
72.20956	0.3
78.28362	0.4
102.98586	0.9
117.03411	0.5
122.03770	1.3
123.04549	6.3
124.19080	0.5
131.05045	0.5
133.02945	0.7
135.04552	0.6
145.02963	6.5
146.03777	2.6
147.04495	0.9
148.02063	0.4
159.04520	1.7
166.42737	0.4
181.06636	0.7
193.06630	0.8
194.07372	2.6
195.08206	3.0
196.05301	1.2
197.06108	3.1
209.06032	1.0
211.07643	6.3
212.08450	12.9
213.08864	0.6
221.06010	0.8
222.06883	2.5
223.07648	8.3
224.04857	0.9
224.08279	0.8
225.05580	8.9
226.06136	0.8
236.04773	0.6
237.05605	1.0
238.06367	1.6
239.07143	15.9
239.12660	0.4
240.07910	12.5
241.08342	1.1
249.05539	0.9
250.06316	2.3
251.07149	16.5
252.07912	12.4
253.05103	7.7
253.08643	4.1
266.05859	9.6
267.06638	38.8
268.07407	100.0
269.07803	4.8
283.03088	0.8
283.09772	27.1
284.10110	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0978
Annotation	Aurentiacin A
Peak:m/z	Relative Intensity
52.90368	0.2
58.99651	0.5
64.22604	0.2
71.28525	0.3
87.00948	0.4
90.03898	0.3
93.03539	0.4
102.98598	1.9
108.02267	0.3
109.02995	0.6
117.03506	0.2
118.84708	0.2
119.05084	0.4
121.03065	0.8
121.52024	0.2
122.03826	1.0
123.04534	6.1
131.05107	0.4
133.02945	1.2
133.06837	0.2
145.02969	7.1
146.03787	2.6
147.04582	0.7
159.04527	1.8
167.08612	0.3
168.87773	0.3
169.06691	0.3
169.08762	0.3
172.05348	0.3
173.06122	0.4
180.05898	0.6
181.06662	0.8
182.03737	0.3
183.04573	0.8
183.08189	0.6
185.06059	0.3
186.06897	0.5
193.06700	0.4
194.07361	3.1
195.08159	3.1
196.05385	1.3
196.08914	0.5
197.06097	4.0
198.06749	0.4
199.04095	0.3
199.07704	0.4
207.08244	0.3
208.05322	0.4
209.06142	0.8
210.06885	0.8
211.04065	0.4
211.07664	5.2
211.09589	0.4
212.08444	11.3
213.08804	0.6
221.06136	1.1
222.06848	2.3
223.07654	8.4
224.04802	1.0
224.08336	1.0
225.05577	9.2
226.06091	0.7
227.07179	0.3
235.04076	0.3
235.07634	0.3
236.04784	0.6
237.05563	0.8
238.06409	1.7
239.07156	17.7
240.04205	0.5
240.07916	11.6
241.08296	0.6
249.05582	0.9
250.06343	2.2
251.07140	15.0
252.07909	12.8
253.02432	0.4
253.05086	7.8
253.08662	3.8
254.05504	0.6
255.03110	0.4
265.05179	0.3
266.05853	11.0
267.06638	39.0
268.07404	100.0
269.07764	6.0
283.02512	0.9
283.09763	23.5
283.26385	0.7
284.10110	1.7
300.06381	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	5.3
59.01380	0.8
64.38053	0.6
71.05033	3.2
75.04554	0.6
81.03481	1.1
85.02962	8.0
87.04523	60.9
88.04864	0.9
99.04525	2.2
99.97292	0.6
106.90871	0.6
109.06598	1.1
109.57479	0.6
111.04501	0.7
111.08181	4.1
125.06076	1.0
125.09738	1.9
127.04028	100.0
127.07642	4.0
128.04382	2.5
137.09735	2.1
138.03214	0.9
139.07671	10.8
141.06554	0.7
142.02675	1.0
143.03511	1.3
151.07671	2.8
151.11319	1.4
152.04892	0.7
153.05586	18.8
153.06761	1.3
153.09224	10.3
167.07149	2.3
167.14456	2.3
168.07904	2.0
169.08705	6.7
169.12370	3.5
177.12863	1.0
195.06641	0.8
195.13957	1.0
221.15422	1.0
239.12897	1.8
239.16501	4.6
283.06235	5.5
283.11969	2.9
283.15540	11.8
283.19000	1.4
283.26419	4.7
284.03226	1.7
284.12430	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.9
57.03445	3.4
59.01371	2.9
67.01889	1.0
69.03476	1.1
69.12231	6.7
71.01382	1.5
71.05014	7.7
73.02952	2.2
77.99818	1.0
83.05032	4.0
85.02959	4.3
85.06569	6.1
87.00904	1.4
87.04521	20.7
95.05046	1.4
96.04070	1.0
97.06595	16.7
99.00883	4.5
99.04525	4.6
99.08144	8.5
101.02455	1.1
101.06091	34.6
108.02151	1.2
109.02946	2.5
109.06616	4.8
111.00868	1.2
111.04533	2.2
111.08167	4.6
113.02469	6.0
113.06100	55.0
113.09738	21.6
115.07657	3.5
122.03751	4.7
123.08270	1.3
125.02466	16.2
125.06111	2.4
125.09794	2.0
127.04002	4.8
127.07668	12.9
127.11388	1.2
129.09262	1.4
129.65898	1.1
133.06602	2.1
137.02510	1.6
137.06097	23.7
139.00320	1.1
139.04016	1.7
139.11295	1.3
141.05592	100.0
141.09222	14.2
142.05930	2.7
143.07132	1.3
151.03966	2.1
151.07617	2.5
153.05585	5.9
155.07159	31.5
155.10777	6.0
167.07164	1.4
169.08710	14.2
177.12856	3.0
181.05063	4.3
183.06586	3.5
183.10281	8.2
193.12343	3.1
195.06662	12.4
195.13908	8.9
196.07402	3.6
197.08202	12.6
199.06094	8.6
200.06871	1.3
211.09686	1.0
211.13390	8.7
213.07646	5.1
221.11836	34.9
222.12198	2.2
239.12903	15.1
255.46722	1.1
265.17929	1.7
268.07364	2.5
283.06195	7.3
283.11938	69.2
283.19016	15.9
283.26404	10.4
284.12268	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	283.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01093	5.3
59.01382	100.0
64.18746	2.8
69.08967	20.5
69.09370	5.4
84.17603	2.8
88.06821	2.8
102.98601	12.2
121.35046	2.9
125.67619	3.9
147.77844	3.0
148.58102	3.1
183.04543	6.3
211.04037	7.5
227.03506	10.1
255.03024	36.9
283.02457	67.3
283.05386	5.0
283.11694	5.1
283.15332	4.4
283.26331	8.1
284.03024	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	283.1554
Annotation	Tsugicoline E
Peak:m/z	Relative Intensity
54.33113	0.2
55.01899	0.7
55.90473	0.3
57.04210	0.2
69.14558	0.4
69.14964	1.3
73.02975	0.2
91.70060	0.3
98.22553	0.5
102.90152	0.2
119.42307	0.2
122.03744	0.7
125.02412	0.3
137.06099	0.8
138.03242	0.6
149.26804	0.2
153.05586	18.9
154.05894	0.5
168.65866	0.2
181.05078	100.0
182.05403	3.4
196.07419	54.0
197.07733	1.8
226.46480	0.2
265.18250	0.3
283.15530	81.3
284.15884	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	283.1707
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
53.37022	0.6
63.13647	0.8
68.42281	0.9
86.11534	0.7
96.41645	0.7
97.31883	0.8
98.21797	1.4
107.05038	100.0
108.05373	1.8
114.98013	0.7
147.08209	0.7
163.11298	90.1
164.11649	2.7
180.54533	0.7
283.17056	75.7
283.22784	18.4
283.26398	6.7
284.17422	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	283.1917
Annotation	Gallicynoic acid H
Peak:m/z	Relative Intensity
57.03443	1.4
59.01373	1.6
71.28599	2.8
73.20300	1.3
80.15269	1.4
85.89413	1.4
87.52644	1.3
100.40453	1.5
127.11333	1.5
171.76230	1.3
196.62216	1.3
210.44630	1.3
221.19128	30.9
222.19527	2.0
229.73892	1.3
237.18526	1.5
239.20172	20.9
265.18124	17.1
283.19180	100.0
283.26318	14.6
284.19519	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	283.2645
Annotation	Stearic acid
Peak:m/z	Relative Intensity
69.64719	1.7
78.43417	0.3
98.21812	0.3
188.31909	0.3
230.51247	0.3
283.26447	100.0
284.26779	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	285.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80039	0.2
57.03444	0.2
59.01381	1.3
61.63623	0.2
63.02407	1.6
65.00322	0.9
65.03958	0.3
67.01890	0.2
71.01391	0.3
77.76764	0.2
79.01910	0.4
81.03487	0.2
83.01387	1.5
91.01904	1.1
93.03461	5.1
95.01399	0.4
107.01395	3.6
108.02199	0.8
109.02969	1.6
115.05556	0.3
117.03460	1.7
119.01434	0.4
119.87200	0.2
123.00902	0.3
123.04554	0.3
128.22383	0.2
129.03432	0.3
130.04265	0.4
131.05063	1.1
131.94992	0.2
133.03018	0.4
133.06612	0.2
135.00891	2.2
137.02460	0.7
137.09724	0.2
139.05583	0.3
141.07103	0.6
143.05035	3.3
145.03001	1.3
145.06563	0.6
147.00870	0.3
147.04504	0.4
151.00381	2.1
153.01945	0.5
154.04257	0.9
155.05070	1.0
156.05817	0.6
157.02960	0.3
157.06590	2.1
158.03717	0.5
159.04523	3.5
161.02415	0.8
161.06084	0.2
163.00380	2.7
164.01128	0.5
165.01913	0.6
167.05049	1.3
168.05685	0.3
169.06616	1.9
170.03824	0.3
171.04530	1.8
173.02432	0.8
173.06055	0.6
174.03169	0.3
182.03783	0.5
182.78444	0.2
183.04539	1.7
184.05267	0.7
185.06090	5.8
186.06418	0.4
187.04015	6.7
188.04376	0.3
189.05553	2.1
190.99884	0.3
191.03406	0.2
192.00592	0.3
195.04488	0.9
195.13882	0.3
196.05289	0.7
197.06152	1.9
198.03242	0.5
199.04050	1.2
201.05565	1.4
211.03967	3.4
212.04790	0.5
213.05573	4.0
214.02754	1.0
215.03479	0.8
217.05070	0.3
223.04070	0.6
223.16893	0.2
224.04781	0.3
226.02766	0.4
227.03537	3.9
228.03903	0.4
229.05063	16.9
230.05429	0.8
239.03470	2.3
240.04347	1.1
241.05038	2.8
243.03024	0.9
255.02994	1.2
256.03723	1.4
257.04556	8.3
258.04950	0.5
267.03033	1.3
267.16068	1.0
268.03778	0.3
269.04688	0.3
270.05341	1.3
285.04059	100.0
285.17023	0.9
286.04398	5.4
286.07639	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77329	0.3
59.01353	0.2
63.02399	0.9
65.00331	3.5
70.77467	0.5
83.01377	1.2
83.04980	0.3
105.03460	0.8
107.01393	5.0
108.01681	0.2
108.45668	0.2
111.04508	0.5
115.35636	0.2
121.02981	1.5
131.05083	0.3
132.02190	0.6
133.02966	28.2
134.03293	0.8
135.04526	0.4
143.05087	0.4
147.04550	0.3
149.02461	3.2
151.00380	9.1
155.04932	0.3
163.04079	0.2
169.06627	0.4
171.04486	0.6
174.80087	0.3
175.04016	5.4
176.04480	0.4
185.06049	0.9
197.06142	0.6
198.03210	0.5
199.04031	3.6
201.01945	2.0
211.04042	0.6
213.05554	1.1
214.02547	0.3
215.03499	0.8
217.05074	3.2
223.04012	0.4
223.09804	0.3
229.04947	0.6
239.03438	0.4
241.05121	1.7
243.03036	1.2
251.66875	0.3
257.04562	0.7
267.02798	0.4
270.05441	0.2
277.72137	0.3
285.04062	100.0
286.04395	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	285.0408
Annotation	Kaempferol
Peak:m/z	Relative Intensity
55.18088	0.2
58.56477	0.2
59.01378	0.3
61.08831	0.2
63.02388	0.9
65.00319	1.0
67.01904	0.3
69.59429	0.7
83.01399	1.2
93.03462	3.1
95.01407	0.5
95.05020	0.2
97.06593	0.4
98.22497	0.3
107.01412	1.8
108.02190	0.8
109.02938	1.0
117.03464	1.0
119.01392	0.4
119.05039	0.3
121.02927	0.3
123.00853	0.5
123.04538	0.5
130.04297	0.4
133.02972	1.0
135.00906	0.7
137.02483	0.5
143.05063	1.4
145.02953	1.2
151.00357	1.9
154.04253	0.6
155.05046	0.6
157.02940	0.6
157.06580	0.8
158.03725	0.4
159.04507	1.7
161.02444	0.8
163.00378	0.6
164.01215	0.5
165.01938	0.4
167.05017	0.6
168.05717	0.3
169.06577	0.9
171.04552	1.3
173.02449	0.7
173.06157	0.3
175.03969	0.3
183.04625	0.6
184.05263	0.4
185.06062	2.6
187.04018	1.9
189.05580	0.4
195.04485	0.7
199.04028	0.5
201.05612	0.5
202.98705	0.3
211.04070	1.6
212.04755	0.5
213.01971	0.2
213.05568	1.0
214.02710	0.6
215.03502	0.8
219.02963	0.4
227.03532	1.0
229.05115	2.4
237.59781	0.2
239.03529	1.8
240.04236	0.5
241.05093	0.5
243.02982	0.7
255.03001	0.8
256.03802	0.2
257.04559	1.0
267.03043	0.4
268.03726	0.4
284.03348	0.4
285.04059	100.0
286.04431	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.6
65.00314	1.3
71.29669	1.0
73.47800	1.0
89.45102	0.9
109.02959	2.6
133.02975	4.1
147.00916	3.2
149.02388	2.1
157.02986	8.5
167.05048	1.7
171.04536	1.2
175.00447	2.4
183.04526	1.5
185.02556	1.1
185.06111	2.3
191.10768	1.2
195.04520	1.8
196.05241	1.3
199.03952	2.8
202.98729	1.7
211.04037	4.7
213.05548	2.2
223.03961	2.7
227.12862	1.9
239.03496	6.0
240.04074	1.1
241.05077	13.9
257.04300	1.3
267.03006	19.9
270.02075	0.9
285.00510	11.6
285.04037	100.0
285.13174	2.2
285.17014	1.5
285.20517	1.2
286.04483	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	285.0618
Annotation	2-Hydroxy-3-(beta-D-xylopyranosyloxy)benzoic acid
Peak:m/z	Relative Intensity
54.26152	0.4
61.60971	0.5
70.15972	1.2
98.22531	0.5
102.51337	0.4
108.02184	100.0
109.02995	13.1
121.02963	0.7
123.04498	0.7
133.02971	0.7
133.26698	0.5
135.00912	1.0
141.64091	0.4
151.04050	1.4
152.01166	59.1
153.01959	26.8
153.02927	0.3
154.02293	0.9
163.04008	1.2
165.01967	1.0
241.05292	0.5
285.06192	55.8
286.06708	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	285.0618
Annotation	2-Hydroxy-3-(beta-D-xylopyranosyloxy)benzoic acid
Peak:m/z	Relative Intensity
58.55570	0.3
58.61380	0.4
61.48883	0.3
69.03683	2.0
69.04105	1.1
77.87109	0.5
81.03464	0.8
93.03481	0.3
100.23788	0.3
108.02184	100.0
109.02998	13.9
117.75236	0.4
121.02976	0.7
122.03749	2.1
123.00928	0.3
123.04507	0.6
133.02934	0.7
135.00916	0.7
139.67821	0.4
151.04041	1.3
152.01166	59.3
153.01955	25.5
153.84482	0.3
154.02260	0.8
163.04024	1.2
165.01997	1.0
167.03529	0.4
285.06186	52.2
286.06546	2.7
305.66873	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0771
Annotation	3,5,7-Trihydroxy-6-methylflavanone
Peak:m/z	Relative Intensity
55.01864	1.0
57.03432	1.2
59.01379	1.8
65.00325	3.6
70.48738	1.6
75.44053	0.9
77.03974	12.7
78.95908	3.4
79.01897	30.9
80.82948	0.9
93.03464	13.2
95.23070	0.8
97.02960	7.9
97.06574	2.1
97.13027	0.9
109.02977	0.9
119.05038	83.0
120.05354	1.9
121.02969	32.6
125.09750	7.3
129.29570	1.1
133.02966	2.3
135.04529	0.9
137.02449	2.5
144.14366	0.9
145.02931	2.0
151.03952	1.3
165.01942	72.1
166.02202	2.0
174.99184	1.2
179.03525	4.5
183.02975	5.1
187.03946	1.7
191.03497	9.0
202.98810	1.7
205.73766	1.2
217.00462	1.0
241.08748	1.1
243.05682	0.9
285.04135	8.6
285.07678	100.0
285.17081	3.0
285.20697	7.8
286.07980	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	285.0771
Annotation	Peltogynan
Peak:m/z	Relative Intensity
59.01387	0.6
60.26042	0.6
71.29164	0.7
71.29527	0.7
83.05029	0.6
87.11505	0.5
93.03457	5.4
107.05022	1.8
108.02206	1.3
108.77446	0.5
109.02969	8.6
111.04476	0.9
119.05028	0.7
121.02971	34.0
122.03307	0.8
133.02972	2.9
134.03781	0.8
135.04536	33.5
136.01628	1.5
136.04895	0.7
137.02451	5.7
141.09200	1.4
147.04480	0.7
148.05281	3.6
149.02441	11.5
161.02437	2.3
162.03291	0.7
162.43608	0.5
163.04019	37.3
164.04292	1.5
175.04016	3.9
176.03317	1.0
176.04802	17.3
177.05505	0.9
185.02429	1.1
193.10880	0.6
208.03763	1.5
211.07626	0.6
213.02103	0.9
213.05548	3.6
223.13382	0.7
224.04836	1.0
225.05531	1.2
239.07069	1.3
241.05037	2.4
242.05887	1.7
252.04170	0.9
253.04991	1.2
255.03091	0.5
256.07712	0.6
267.06580	2.0
269.04517	4.6
270.02167	0.9
270.05350	23.0
271.05606	1.9
285.00455	11.5
285.04114	11.5
285.07672	100.0
285.16980	2.2
286.00778	0.9
286.04825	0.9
286.07980	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	285.0773
Annotation	3,5,7-Trihydroxy-6-methylflavanone
Peak:m/z	Relative Intensity
59.01374	7.7
61.25026	2.8
65.00314	2.7
65.70924	2.3
70.78462	5.9
70.83372	2.5
77.03991	12.6
79.01900	28.9
92.06216	2.3
93.03462	11.9
97.02975	7.0
99.24628	2.5
101.83875	2.3
102.14513	2.2
108.32067	2.2
119.05048	69.3
121.02969	29.2
122.06718	2.3
133.02950	4.1
139.03958	2.3
145.02977	2.6
165.01942	62.8
171.10289	5.5
179.03569	5.7
183.02968	3.5
191.03496	7.1
202.98792	4.9
284.26892	2.7
285.00598	9.1
285.04108	34.6
285.07712	100.0
285.17081	8.0
285.20740	10.2
286.08044	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	285.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47336	2.2
56.19281	2.1
58.00605	3.6
59.01383	100.0
69.14384	16.8
71.01385	48.3
72.99307	3.5
76.48310	2.3
79.21986	2.0
85.02957	10.0
87.00877	3.9
89.02448	88.6
93.16950	2.3
98.22625	2.5
99.00921	2.3
101.02444	21.5
104.98189	2.9
106.88666	2.0
112.33008	2.2
113.02457	23.0
119.03509	29.2
119.05022	9.3
120.99630	8.1
123.04521	2.3
143.03552	2.5
159.17801	2.2
165.05452	2.6
179.03532	4.1
179.05600	11.4
194.05876	5.2
209.08223	7.7
285.03925	2.6
285.09784	10.8
285.12585	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	285.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19648	2.8
58.00595	2.8
59.01384	95.8
68.51849	2.8
69.13397	14.4
69.13804	6.1
70.77361	2.4
71.01389	64.1
72.99326	5.6
85.02950	9.8
87.00865	3.5
89.02452	100.0
95.01381	3.7
101.02455	24.9
108.02242	3.1
113.02462	25.6
119.03510	32.7
119.05050	10.0
120.99667	10.3
125.02516	3.3
139.79868	2.8
143.03482	5.4
150.60944	3.1
156.71785	3.1
161.04535	5.9
175.03941	3.5
179.03487	6.8
179.05669	14.1
193.05103	3.7
194.05853	4.7
209.08208	7.7
252.92680	3.1
285.03812	3.7
285.09784	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	285.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	4.2
59.01365	11.3
71.28947	5.8
78.95901	9.4
83.05029	8.4
95.05012	3.6
97.06583	27.2
109.02979	3.1
123.08170	8.5
125.06123	5.6
125.09733	100.0
143.07120	24.8
155.51540	3.4
159.10263	10.0
171.10292	4.8
187.09752	11.3
191.34450	3.5
198.39992	3.8
199.03960	3.6
202.98718	10.3
285.00397	9.0
285.04004	23.2
285.06897	4.4
285.17093	24.7
285.20389	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	285.2073
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
50.77674	0.4
52.42248	0.5
54.32079	0.4
57.03454	0.6
60.16122	0.5
70.43038	0.8
118.11812	0.4
221.18994	0.7
223.20680	63.7
224.20988	3.9
241.21732	1.7
267.19666	35.3
268.20087	2.9
285.20743	100.0
286.21127	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	285.2074
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
56.83909	0.3
57.03442	1.3
57.37304	0.3
59.01377	0.5
69.03428	0.4
69.74260	0.6
69.74638	1.0
71.04997	0.5
77.03974	0.4
78.95903	0.6
79.01886	1.1
83.05059	0.5
87.18613	0.3
93.03472	0.6
97.02892	0.3
97.06583	1.1
109.02959	0.5
109.06612	0.4
111.08138	1.5
113.09672	0.3
113.57173	0.3
119.05025	3.3
121.02946	1.3
125.09766	1.8
127.11252	0.8
133.02985	0.4
139.11275	1.6
141.12875	1.5
155.14441	2.0
157.08617	0.4
165.01929	2.8
171.10240	0.4
174.99174	0.3
178.69373	0.3
191.03479	0.3
202.98685	0.8
211.20647	0.9
221.19064	1.0
223.16948	0.3
231.32835	0.3
239.20192	2.1
241.21754	1.1
248.64061	0.4
249.14943	0.7
265.17987	0.5
265.65936	0.3
267.15909	0.6
267.19586	1.0
285.00687	0.6
285.04095	1.9
285.07697	5.1
285.20715	100.0
286.04181	0.5
286.07529	0.3
286.21042	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	286.239
Annotation	Prosopinine
Peak:m/z	Relative Intensity
57.33461	0.4
70.02987	1.0
71.28307	0.5
74.06113	2.1
117.07111	0.6
118.05082	0.7
153.76682	0.3
176.59454	0.3
202.99646	0.4
230.66884	0.3
240.23386	3.9
242.21262	1.9
268.22836	1.2
284.22360	0.6
286.23904	100.0
287.16721	0.4
287.24561	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	287.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	17.4
59.01364	0.8
69.03455	0.3
71.29552	0.5
81.03464	2.4
83.01392	4.5
83.05020	0.9
89.94824	0.3
93.03497	0.4
95.05038	1.7
105.03462	4.2
108.02222	0.3
109.02982	0.6
110.21323	0.3
111.00904	0.4
119.04984	0.4
121.02976	0.9
123.00907	0.7
123.04557	0.8
124.01714	0.8
125.02458	100.0
126.02819	1.9
130.04213	0.3
132.02202	0.4
133.02940	1.4
135.04532	0.5
137.02451	0.5
139.73709	0.3
145.02950	0.4
145.06593	0.7
147.04527	0.8
149.02426	1.6
149.06145	0.4
151.04027	0.5
157.06558	0.4
159.04546	1.0
160.01706	0.5
161.02460	34.3
162.02870	1.5
163.00363	0.3
171.04608	0.5
172.05310	0.4
173.02379	0.3
173.06017	0.5
175.03990	2.0
177.04085	0.3
177.05605	5.9
182.03789	0.3
183.04518	0.7
185.02528	0.5
187.04044	0.7
187.07799	0.3
197.06151	0.8
199.04015	0.9
200.04553	0.4
201.01993	0.7
201.05583	2.7
203.10905	0.5
213.05557	0.7
215.03557	0.5
219.06633	1.2
225.05603	1.1
227.03564	1.2
227.10847	0.4
228.11647	0.9
229.01558	0.6
238.34799	0.3
243.03056	0.8
243.06528	1.6
243.10295	0.4
243.13890	1.3
243.16107	0.5
245.04564	0.4
255.03136	0.3
269.04593	3.6
269.13989	0.9
272.10580	0.3
286.98453	1.1
287.02106	2.0
287.05637	8.9
287.09259	1.1
287.12387	2.3
288.05908	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0565
Annotation	Tragopogonic acid
Peak:m/z	Relative Intensity
55.11792	0.8
57.03456	7.6
59.01366	2.5
65.12675	0.8
81.03439	1.1
83.01355	1.1
90.46082	0.7
93.03490	1.4
98.21716	1.8
105.03480	1.5
105.30868	1.1
107.05006	1.5
108.02206	2.2
109.02917	1.5
117.03447	0.9
121.02926	2.4
123.00860	1.9
124.01634	1.1
125.02463	35.9
129.07062	1.2
131.05051	2.6
133.02946	1.7
134.03720	0.9
135.04541	9.4
136.01685	1.2
137.02440	3.2
141.07071	0.9
143.05038	3.5
145.06564	2.3
151.00363	5.5
151.03983	1.4
153.07153	0.9
155.05014	1.7
157.06607	3.6
158.03696	1.6
159.04530	43.5
160.04878	1.2
161.02441	13.0
162.03159	0.9
165.01917	2.3
167.04965	1.1
169.06595	3.2
171.04520	3.0
171.08220	1.0
172.05266	2.3
173.06084	9.6
175.07610	5.3
177.05547	2.2
180.05795	2.5
181.06625	6.0
182.03708	2.1
183.04520	9.8
184.05287	1.2
185.02490	4.4
185.06075	3.3
195.04518	2.5
196.05272	3.3
197.06105	12.7
198.03061	0.9
198.06781	2.6
199.03955	3.9
199.07600	6.5
201.05588	26.9
208.05228	0.9
211.04005	1.4
212.04805	1.3
213.05585	12.0
215.07112	1.9
224.04776	3.5
225.03413	1.7
225.05591	27.6
227.03487	5.0
227.50336	0.9
228.04286	1.0
240.04195	5.2
241.05078	24.8
242.05359	1.1
243.02841	3.1
243.06627	82.4
244.03741	0.9
244.06935	4.2
251.03421	1.2
257.00708	1.0
259.02545	1.4
269.04553	100.0
270.04868	4.0
272.03278	3.0
286.56155	2.7
286.98544	2.2
287.02161	5.7
287.05597	81.1
287.14828	2.3
288.05765	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	287.0565
Annotation	Eriodictyol
Peak:m/z	Relative Intensity
57.03438	0.5
59.34349	0.2
63.02394	2.2
65.00327	12.7
66.00674	0.2
69.72575	0.6
83.01392	5.9
83.77621	0.2
95.04587	0.2
107.01396	15.5
107.05032	0.5
108.01706	0.4
108.99295	0.3
109.02957	1.9
120.36051	0.2
125.02457	3.7
133.03023	0.2
134.03777	2.0
135.04532	100.0
136.04863	2.9
137.02437	0.3
151.00374	78.0
152.00706	2.0
161.02466	1.2
165.01909	0.6
169.01443	0.5
177.01978	0.3
194.52040	0.2
197.64636	0.2
201.05591	0.3
225.05609	0.2
239.80525	0.2
263.96417	0.2
269.04507	0.6
287.02185	0.8
287.05606	11.1
288.05859	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0565
Annotation	phenoxy radical VI
Peak:m/z	Relative Intensity
55.39720	0.4
57.03453	14.8
59.01385	1.1
59.15986	0.4
61.21603	0.4
61.98840	0.9
63.02400	4.0
65.00328	9.1
67.01913	0.5
69.31658	0.9
69.32063	1.9
81.03445	3.2
83.01394	11.1
89.28873	0.5
93.03470	2.7
95.01389	0.8
97.65427	0.4
99.92612	0.8
107.01396	6.7
107.05064	1.0
108.02148	0.7
109.02962	1.7
111.00880	1.2
115.92023	0.5
116.92888	1.6
116.93659	0.4
117.03497	0.7
119.05060	0.7
121.02986	0.9
123.00936	0.8
123.04561	2.3
124.01639	2.5
125.02457	100.0
126.02751	2.1
130.04285	0.6
131.05046	2.0
133.02943	2.3
134.03772	1.5
135.00908	0.5
135.04556	2.5
137.02501	1.0
145.03000	0.7
147.04526	0.5
149.06140	0.9
150.03244	0.5
151.00378	12.1
152.01181	8.9
153.01964	2.5
156.05911	0.6
157.06610	2.3
158.03748	1.1
159.04536	2.0
161.02408	1.3
165.01915	0.8
169.01396	0.8
169.06598	0.6
171.04521	1.0
172.05341	1.7
173.06093	5.6
175.03961	0.9
177.05588	15.9
178.99878	6.2
181.06622	0.5
187.07689	0.7
197.06133	0.5
199.03960	0.6
199.07625	2.9
200.04773	0.9
201.05574	8.5
202.06032	0.5
203.03510	1.4
205.37520	0.4
213.05569	1.7
214.06200	0.5
215.07137	5.0
219.06636	2.1
225.05658	0.8
227.03508	0.7
241.05099	1.7
243.06616	12.8
244.06906	0.8
259.06116	63.1
260.06479	3.8
268.04880	0.4
269.04550	1.9
287.02402	1.5
287.05624	38.6
287.18536	0.5
288.06113	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	287.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36707	2.1
57.03444	8.2
61.07745	2.1
65.03955	2.7
67.01894	3.2
69.77988	8.1
77.03958	2.4
83.01383	18.2
89.59722	1.9
90.54240	1.9
93.03457	10.3
95.01374	2.2
96.96015	4.2
98.21828	2.7
107.01471	2.0
107.05035	3.1
108.02197	3.9
109.02962	38.5
111.50358	2.0
119.04993	1.9
121.02971	28.7
123.00886	2.1
123.04563	4.1
124.01675	14.1
125.02458	68.4
131.05069	5.9
133.02969	3.6
135.04582	10.2
136.01680	2.9
137.02448	84.2
147.04523	11.2
148.05368	3.4
149.02446	28.3
149.06093	5.8
150.03235	14.3
151.04062	15.9
157.06639	3.1
158.03720	6.9
159.04529	27.2
161.02458	21.0
162.03304	2.5
163.03929	4.7
164.01178	9.5
165.01958	26.3
171.04559	4.4
172.05325	13.0
173.02483	2.6
173.06068	25.7
174.03244	9.7
175.04027	63.9
176.04692	5.1
177.01910	10.5
177.05562	13.5
180.05809	2.1
182.03734	3.0
183.04506	5.8
184.05263	2.6
185.06071	3.4
185.28413	2.2
187.07669	2.5
189.05632	14.7
191.07140	6.8
197.06136	8.3
199.04031	8.8
199.07700	2.4
200.04797	7.9
201.01955	6.0
201.05577	49.1
202.05756	2.6
203.03531	17.6
204.04152	3.6
213.05498	4.7
215.07153	14.5
217.05069	21.6
219.06676	25.4
220.06816	2.2
225.05553	10.9
227.03444	4.5
241.05125	5.0
243.02916	5.3
243.06647	26.5
245.04521	12.0
258.05246	13.5
259.06128	80.4
260.06509	5.2
269.04468	16.0
269.40558	2.3
287.05630	100.0
288.05945	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	287.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38385	2.3
55.42174	2.4
57.03453	11.5
63.89940	2.6
65.00298	3.2
67.01880	6.2
69.02924	14.4
69.03341	5.7
77.03976	2.6
83.01383	11.9
93.03432	4.8
109.02954	30.2
111.00798	2.3
121.02954	17.1
123.00851	2.4
124.01651	8.3
125.02457	83.6
131.05077	2.8
133.02971	2.7
135.04546	7.2
137.02454	50.2
143.08678	4.0
145.06657	2.8
147.04536	6.9
148.05322	2.6
149.02437	21.9
149.06105	2.7
150.03232	9.4
151.00455	3.3
151.04018	11.3
157.06511	2.7
157.36400	2.4
158.03783	2.8
158.70119	2.4
159.04546	10.6
161.02448	22.1
162.03238	4.4
162.40544	2.4
163.03958	4.4
164.01166	6.4
165.01917	19.3
171.04568	2.6
171.08107	4.5
172.05273	10.6
173.06055	17.0
174.03271	4.4
175.04005	37.6
177.01939	12.9
177.05553	8.0
181.06523	2.7
183.04472	3.6
184.05212	3.4
187.04111	2.5
187.07634	6.6
189.05582	7.4
191.07115	5.5
192.04286	5.0
193.03770	2.2
197.06065	6.2
199.03999	8.1
199.07602	8.7
200.04759	4.7
201.01828	2.6
201.05612	31.7
202.90689	2.8
203.03481	11.5
207.06689	5.6
213.05637	3.9
215.07158	18.3
217.05066	12.1
219.06612	20.4
225.05617	6.7
227.03432	4.3
228.04291	2.8
228.89879	2.3
241.05138	5.7
243.02884	5.0
243.06628	25.2
245.04506	4.9
258.05267	6.5
259.06168	35.9
260.06375	2.5
269.04501	11.4
287.02194	7.2
287.05618	100.0
287.08865	4.0
288.05984	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38828	0.5
57.03452	16.6
57.96140	0.5
59.01381	2.2
63.02401	0.7
65.00326	5.7
75.94820	0.5
81.03477	3.5
83.01395	11.3
85.02962	1.0
85.43886	0.6
93.03482	3.5
95.01398	1.4
98.21767	1.8
107.01400	4.9
107.05041	1.5
108.02193	0.7
109.02951	2.9
111.00896	1.0
117.03528	0.7
121.02966	0.9
123.00894	0.6
123.04551	1.9
124.01661	4.2
125.02459	100.0
126.02785	2.2
130.04257	0.7
131.05037	2.7
133.02904	3.2
135.04550	2.1
137.02473	2.4
143.05034	1.1
145.02983	1.6
149.02498	0.8
149.06053	0.8
151.00404	9.0
151.03897	0.5
152.01170	7.5
156.05852	0.8
157.06587	2.0
158.03728	1.3
159.04488	2.1
161.02434	1.8
165.01929	1.0
169.01451	0.7
171.04506	1.7
172.05278	2.1
173.06099	6.1
175.04002	2.4
177.02014	0.6
177.05571	16.1
178.05927	0.6
178.99898	5.8
187.04024	1.0
187.07602	0.7
189.25897	0.5
197.06046	0.7
199.03865	0.9
199.07651	2.5
200.04759	0.8
201.05589	9.3
203.03497	2.2
215.03546	1.4
215.07095	5.7
219.06633	2.4
228.04239	0.7
231.03120	0.6
241.05011	1.8
242.01813	0.5
243.03046	5.4
243.06639	12.9
243.15930	0.7
259.06116	61.8
260.06424	2.8
269.04550	2.1
287.02014	6.8
287.05588	40.3
287.14920	1.8
288.05923	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0777
Annotation	Dianthoside
Peak:m/z	Relative Intensity
55.01870	0.3
56.80875	0.2
59.01379	1.3
59.83604	0.2
63.44545	0.2
69.03455	3.7
69.40341	1.2
79.01900	1.1
81.03456	1.1
83.01395	1.6
87.17461	0.2
91.53843	0.2
95.01394	0.3
97.02953	3.4
101.00945	0.4
107.01408	2.0
108.02192	0.6
117.00459	2.4
123.00890	0.8
124.01698	0.9
125.02454	100.0
126.02785	2.7
130.08730	0.4
134.09218	0.2
137.02422	0.2
141.00407	0.2
143.02000	0.4
144.99945	2.2
153.01802	0.2
155.02199	0.2
157.03580	0.5
159.01543	1.4
183.01492	0.9
184.47311	0.2
187.00987	0.8
232.86031	0.2
243.02252	0.2
259.01633	0.9
287.00943	1.0
287.07797	3.7
288.00943	0.3
288.07864	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0929
Annotation	Aristogin E
Peak:m/z	Relative Intensity
52.80250	0.6
59.01354	1.0
67.59441	0.6
68.15533	0.6
69.20109	4.4
70.09292	0.7
81.03450	1.5
84.77079	0.6
85.06584	1.2
85.30581	0.6
89.09093	0.7
89.23074	0.6
90.05492	0.6
93.03465	0.8
95.05029	1.1
105.03475	4.0
119.05041	0.8
122.03759	1.2
123.04527	4.2
125.02470	1.2
131.07147	4.2
137.06120	3.8
138.11192	0.8
139.04033	1.1
149.02464	6.8
173.11783	2.4
174.38972	0.6
181.05075	13.8
181.06573	1.4
183.08144	1.1
187.07623	1.4
199.07623	3.9
211.03912	1.2
211.07593	0.8
212.04805	6.3
213.05457	1.2
222.54494	0.6
226.06390	2.3
227.07140	51.6
228.07564	1.9
240.04280	12.2
254.05873	2.6
255.06631	100.0
256.06934	5.2
287.02435	3.3
287.09265	83.4
287.18808	1.7
287.22305	7.8
288.09570	4.8
302.69608	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	1.6
59.01382	100.0
60.01701	0.9
61.40704	0.7
69.17636	1.6
69.18052	3.4
72.68317	0.6
73.02946	0.7
85.70087	0.7
97.06603	0.8
99.04547	2.4
108.02159	2.0
109.02982	2.7
111.00894	1.8
121.02988	1.8
122.03780	2.1
123.04563	2.7
124.01685	1.3
125.02470	2.8
134.03772	3.2
135.04544	2.1
137.02458	1.4
149.02470	1.1
149.06123	1.2
150.03215	4.2
151.04051	4.2
159.04582	1.6
160.05333	1.4
163.04063	1.5
165.01872	0.8
165.05663	1.1
165.12852	1.0
167.10817	1.2
173.06163	1.6
175.07654	0.9
175.92505	0.8
185.06100	1.6
185.30238	0.7
187.04167	0.9
188.04803	1.0
197.11865	2.0
201.05637	2.4
201.11334	0.9
202.06375	2.6
207.13942	3.5
209.11838	7.8
210.06879	0.9
210.12218	1.0
211.04031	1.8
225.05571	1.3
225.14967	7.2
226.06297	1.3
227.12895	52.5
228.13298	2.1
228.15524	0.9
229.05095	2.9
239.03532	4.2
240.04269	3.2
243.03043	0.8
243.06631	1.3
251.12962	2.0
253.05061	1.2
254.05858	6.6
255.06653	2.9
256.07336	1.4
257.04654	3.2
269.13956	17.0
271.06195	1.7
272.06845	7.0
287.09311	42.8
287.15002	71.0
288.09659	2.6
288.15366	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	287.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18783	0.4
55.99555	0.4
59.01387	3.4
69.03459	100.0
70.03800	1.6
71.01387	5.8
71.05015	0.5
71.27762	0.8
87.04523	10.6
111.04508	0.6
113.02460	41.4
114.02798	0.8
117.07142	0.7
125.02453	1.1
127.11317	1.6
131.03514	12.4
139.11345	0.8
139.80042	0.5
148.52948	0.5
161.02455	0.4
165.02005	0.6
173.11839	47.8
174.12193	1.8
201.11299	1.4
225.14948	1.6
269.13873	4.2
287.15015	52.1
288.15417	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	287.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16301	0.5
57.03448	4.8
59.01380	0.6
59.33193	0.5
61.77008	0.6
68.51530	0.5
69.03020	4.4
69.03446	1.6
80.14044	0.5
83.05033	12.9
85.06613	1.7
95.05039	6.8
97.06597	29.2
98.06903	1.0
109.06609	3.8
111.08170	100.0
112.08511	2.4
113.06106	1.8
115.07651	5.4
125.02468	1.1
127.07626	0.7
129.09235	5.1
130.53180	0.5
131.07147	7.4
131.85387	0.7
137.02414	0.8
138.80840	0.7
141.05562	0.9
145.08736	5.8
155.07152	0.8
159.05309	1.1
159.06633	16.0
173.08200	81.8
173.78453	0.6
174.08572	2.3
207.17491	2.8
222.74817	0.6
225.14967	1.9
251.16548	2.8
269.13983	4.5
269.17606	2.1
287.15070	55.8
287.18619	9.4
288.15350	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	3.6
59.01360	0.6
64.31445	0.5
69.03464	0.8
70.74147	0.5
71.05000	0.8
76.36278	0.5
76.86407	0.5
81.03461	6.5
83.05035	23.1
95.05026	1.0
97.06596	14.1
98.22648	0.8
99.04499	0.9
101.06069	3.1
117.05603	3.0
123.08179	7.1
125.02489	1.0
125.09733	90.1
126.10078	2.2
127.04024	1.1
143.10805	1.7
145.05087	4.8
159.10277	9.8
162.01993	0.7
169.08748	3.1
183.22466	0.5
187.09767	100.0
188.10149	3.7
207.17558	0.5
225.14929	0.7
251.16515	0.7
286.98535	0.8
287.02121	1.3
287.05518	1.2
287.15060	24.5
287.18646	3.0
287.22299	2.6
288.15292	1.3
303.30014	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1656
Annotation	Hynapene B
Peak:m/z	Relative Intensity
52.26791	0.6
54.20737	0.8
57.03437	0.8
59.01377	5.1
69.37076	4.5
72.97224	0.7
77.39772	0.6
80.02679	1.3
81.03465	2.2
83.04989	1.1
91.73463	0.7
93.07076	0.7
95.05026	4.9
98.22501	1.3
106.04266	1.1
107.05045	2.1
107.08678	0.9
109.06596	10.7
109.47919	0.8
119.08704	1.0
121.06576	3.4
121.10217	1.3
123.08201	5.4
125.02411	0.9
133.10191	1.1
135.08174	2.5
135.11775	0.9
141.09230	0.7
145.06630	1.3
147.08209	3.8
149.09718	3.2
157.06587	1.1
157.10245	0.7
159.08218	1.6
161.09738	2.8
164.54550	0.7
169.06520	0.9
173.09689	1.7
175.11270	2.8
177.09259	0.8
180.38402	0.7
185.09790	1.7
186.10500	1.6
187.11270	1.0
189.12849	6.2
215.14458	2.0
225.16237	0.8
227.14404	0.9
241.16013	1.0
243.17543	31.0
244.17946	2.1
269.15549	2.7
273.11459	1.0
287.16541	100.0
287.22174	6.6
288.13809	0.8
288.16800	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	287.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	7.1
60.13166	4.2
67.61984	4.2
69.15968	34.5
76.56643	5.5
83.04996	8.0
83.16511	4.7
85.06599	38.6
95.05025	5.5
97.06609	10.3
131.07146	100.0
159.10262	5.6
168.17332	4.6
173.11826	56.8
181.04967	7.3
227.07092	10.5
255.06606	29.6
272.03265	6.7
286.98758	8.3
287.01981	24.8
287.05255	8.7
287.09283	24.0
287.18655	55.6
287.22281	59.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.223
Annotation	10,16-Dihydroxy-hexadecanoate
Peak:m/z	Relative Intensity
68.96100	0.5
70.55309	0.9
70.55624	0.5
78.45766	0.4
85.86362	0.4
88.88240	0.4
97.06578	0.8
97.78355	0.4
99.08146	2.2
111.08184	0.9
125.09719	0.9
129.09236	0.6
141.12852	2.1
145.08682	1.5
159.10272	0.6
160.83652	0.4
173.11803	1.2
188.00090	0.4
200.38184	0.5
239.20079	0.5
241.21686	1.0
269.21194	3.1
285.20709	2.0
287.22278	100.0
288.22620	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	288.1607
Annotation	Mesembrine
Peak:m/z	Relative Intensity
59.01374	0.6
66.26537	0.4
80.02680	0.4
81.03450	1.3
92.05070	1.0
93.03464	1.9
98.21798	0.9
108.04559	4.3
109.02960	5.4
109.06596	1.5
125.88619	0.4
134.02490	44.7
135.03294	9.3
136.04054	40.9
136.04869	0.6
136.05170	0.6
137.02455	2.1
137.04378	1.4
145.06592	0.7
147.04524	0.5
148.04074	1.3
149.04839	1.3
149.09671	0.5
152.01140	0.5
176.03539	5.5
177.04199	0.6
190.05052	0.6
204.06543	0.5
228.77347	0.4
232.76437	0.4
245.19157	1.0
260.16528	0.5
287.16611	0.6
288.16071	100.0
289.11017	0.8
289.18506	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	289.0357
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.5
65.00315	2.1
67.01851	0.6
68.85357	0.6
68.99805	1.4
70.60823	0.8
81.03450	1.4
83.01392	11.7
95.05049	0.5
96.35844	0.6
96.96022	0.5
107.01406	2.3
109.02948	8.0
123.04567	0.8
125.02454	5.8
137.02469	1.0
145.03044	0.7
151.00381	16.6
153.01949	100.0
154.02315	2.6
161.02437	0.8
169.01410	0.5
172.47363	0.5
178.99904	1.9
189.01976	2.8
197.11647	0.6
201.01878	0.6
205.04947	0.7
217.01360	1.2
220.48109	0.5
229.29626	0.5
242.99507	0.6
245.08241	0.8
261.00427	2.3
271.02454	1.0
289.00034	4.5
289.02896	0.9
289.07175	3.3
289.10141	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16232	0.3
59.01391	0.3
59.10300	0.2
62.23715	0.2
69.06989	1.6
93.03445	0.3
97.62356	0.2
101.01071	0.3
102.58630	0.2
109.02937	0.7
112.45286	0.3
121.02974	0.3
123.04521	0.3
125.02478	0.4
125.06045	0.3
133.06624	0.6
137.02475	1.2
151.04028	0.4
152.04793	1.3
165.09235	0.3
167.07146	3.5
179.03511	42.6
180.03825	1.5
193.05144	1.2
194.05850	15.2
200.10092	0.2
202.97940	0.2
209.08202	100.0
210.08537	4.2
245.08189	0.5
289.03915	13.7
289.07120	0.9
290.04327	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0722
Annotation	Corynether A
Peak:m/z	Relative Intensity
57.03438	6.1
59.01372	2.8
62.73986	1.3
63.20320	1.3
69.03452	1.9
71.01393	3.0
71.27419	2.1
72.28493	1.5
72.99296	3.3
77.31454	1.2
78.95906	5.9
81.03455	5.2
82.27061	1.4
83.01380	5.4
83.05004	1.6
85.02968	3.3
87.00879	4.9
93.03447	3.7
95.01414	3.2
95.04496	1.3
95.05006	7.2
96.00884	1.9
96.96970	3.7
97.02971	13.4
97.54757	1.4
108.02197	2.1
109.02960	51.5
114.93443	2.0
117.03477	1.5
120.99662	2.4
121.02978	5.8
122.03712	1.7
123.04535	37.3
125.02454	27.9
126.02700	1.5
128.03557	3.2
128.67790	1.4
131.08240	6.4
135.04507	3.2
137.02443	19.5
139.04002	7.6
142.96642	17.6
144.70465	1.3
145.02963	2.4
146.03699	2.9
149.02499	8.1
150.03229	3.0
151.04028	16.7
159.04491	5.3
160.05318	4.1
160.97702	6.9
161.02464	2.4
161.06068	11.5
162.03262	2.2
163.04034	3.6
164.01141	5.3
165.01929	5.7
167.03505	4.5
168.00249	1.4
173.06096	1.8
173.10429	4.3
174.99219	3.3
175.03981	2.6
175.07654	4.4
177.01894	2.9
177.05585	1.9
179.03558	9.8
184.97673	23.2
187.03990	7.0
188.04735	7.2
191.05620	23.1
197.19638	1.3
202.06328	3.6
202.98718	26.8
203.07167	21.8
205.01466	3.1
205.05067	15.0
217.08707	1.3
221.08188	6.3
226.98688	1.6
227.07120	4.3
245.08214	35.6
246.08528	2.8
247.06134	1.7
253.09546	2.5
261.00385	2.5
271.10358	1.7
289.00092	5.3
289.07181	100.0
290.07550	4.8
290.12283	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.072
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85399	0.8
57.03446	7.0
69.03444	1.3
69.26401	5.2
69.26797	1.4
80.02703	0.8
81.03453	7.4
83.01384	6.8
85.02988	0.8
93.03452	3.3
95.01374	1.9
95.05036	7.7
97.02949	14.3
98.22832	0.9
99.04492	1.0
108.02172	2.4
109.02961	56.7
114.77051	0.9
117.03445	1.4
121.02969	6.7
122.03738	2.8
123.04528	36.6
125.02457	31.5
125.03207	0.5
133.02956	1.1
135.04507	4.8
137.02464	18.8
138.03223	1.2
139.04012	7.4
143.05013	0.8
145.02963	2.7
146.03769	2.4
149.02460	7.6
149.06070	0.9
150.03195	3.4
151.02879	1.7
151.04024	19.1
157.06610	1.5
159.04526	6.3
160.05293	3.1
161.02489	2.1
161.06088	9.9
162.03247	2.4
163.03999	1.6
164.01215	6.0
165.01926	6.0
166.02711	1.9
167.03506	3.6
173.06110	2.2
174.03253	1.3
175.04012	3.9
175.07622	3.6
177.05548	1.9
179.03514	11.6
180.04007	0.9
185.06029	2.5
187.04034	8.5
188.04793	6.6
199.07655	1.3
202.06323	5.0
203.07153	23.1
205.05093	17.6
212.04820	1.2
217.08664	1.2
219.59872	1.0
221.08197	7.4
227.07259	4.4
231.02995	1.4
245.08191	35.2
246.08455	2.1
247.06219	1.3
271.06271	1.6
289.07205	100.0
290.07468	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	289.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	6.1
58.68462	0.8
61.05302	0.7
69.03461	1.9
72.22269	0.8
73.75008	0.7
74.63719	0.7
79.01964	0.8
80.02708	0.8
80.05724	0.8
81.03469	6.0
83.01409	5.9
93.03458	3.4
95.01385	1.0
95.05022	7.9
97.02960	13.3
108.02179	1.1
109.02959	43.1
110.48913	0.8
117.82798	0.8
118.34740	0.8
121.02955	6.0
122.03753	3.4
123.04537	31.0
124.04918	1.0
125.02457	26.9
133.02965	0.9
135.04530	3.7
137.01474	1.3
137.02451	18.2
138.03244	1.9
139.04028	7.0
145.02948	3.0
146.03726	3.0
147.04549	0.9
149.02481	7.4
150.03168	2.2
150.83673	0.8
151.04024	17.1
159.04494	5.2
160.05304	2.2
161.02518	1.1
161.06099	7.3
162.03197	2.9
163.03981	1.5
164.01231	4.9
164.02385	0.8
165.01933	5.6
167.03481	3.0
173.06082	2.3
175.03999	3.1
175.07666	3.3
177.05569	1.0
179.03510	9.9
185.06096	1.1
187.04044	7.9
188.04768	5.8
191.52831	0.8
199.07581	1.3
201.05531	1.9
202.06354	2.7
203.07153	21.0
204.07391	1.1
205.05051	15.5
212.04831	0.8
217.08707	0.9
221.08237	5.8
227.07117	3.4
230.05904	1.7
244.96933	0.9
245.08188	40.9
246.08632	1.9
247.06117	2.0
248.92474	0.8
249.17728	0.9
271.06186	1.8
289.07196	100.0
290.07492	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	289.0719
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
52.48359	0.9
57.03455	5.2
57.30139	0.7
69.03463	1.7
70.00822	3.1
81.03457	6.7
83.01402	4.6
88.95962	0.8
93.03463	2.9
95.05032	6.9
97.02953	14.8
98.21921	1.1
107.05092	1.3
108.02182	2.3
109.02960	51.1
117.57814	0.9
119.22397	0.8
121.02974	7.0
122.03745	1.3
123.04536	32.5
125.02455	31.2
133.06602	0.9
135.04533	4.7
137.02446	16.9
138.03210	1.8
139.04031	6.6
145.02937	2.8
146.03738	2.6
149.02452	7.3
150.03191	2.6
151.04018	18.5
157.06642	1.2
159.04550	5.3
160.05287	3.5
161.02460	2.3
161.06107	8.8
162.03229	3.8
163.04016	1.6
164.01157	6.9
165.01927	7.1
167.03473	3.4
172.32481	0.8
173.06119	1.9
174.03291	1.9
175.04007	3.1
175.07666	3.9
179.03526	11.2
185.06090	0.9
186.64719	1.0
187.03989	8.5
188.04796	6.8
201.05621	1.6
202.06442	4.0
203.07146	27.3
203.80731	0.8
204.07553	1.0
205.05067	17.6
212.04802	1.1
217.08774	1.7
221.08154	7.4
227.07123	3.0
231.02960	1.1
245.08194	40.2
246.08577	1.5
247.06177	2.3
271.06183	1.5
289.07199	100.0
290.07492	3.0
296.48480	0.9
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	6.3
68.75577	1.1
69.03447	1.6
69.42482	6.8
71.18156	1.1
80.02643	1.4
81.03448	6.1
83.01391	8.4
93.03448	2.6
95.01371	1.5
95.05045	6.0
97.02956	14.6
98.22520	1.4
102.01424	1.0
105.03493	1.2
108.02185	1.6
108.98565	1.1
109.02956	49.5
113.85513	1.2
121.02981	5.9
122.03741	2.8
123.04533	34.5
124.04803	1.6
125.02461	30.3
135.04530	3.9
137.02458	15.1
139.04045	7.1
145.02960	2.5
146.03654	2.2
149.02441	5.4
149.06091	1.5
150.03127	1.5
151.04021	12.1
157.06607	1.6
158.03799	1.2
159.04561	3.5
160.05286	4.3
161.02473	1.4
161.06113	5.9
162.03278	2.0
163.04037	2.3
164.01138	5.7
165.01912	7.7
167.03511	2.2
173.06129	3.0
174.03177	1.8
175.03964	2.6
175.07683	2.4
179.03532	8.8
185.06122	1.8
187.04031	6.7
188.04770	5.8
199.07724	1.3
201.05609	2.3
202.06364	3.0
203.03445	1.2
203.07176	18.3
205.05032	15.6
221.08159	5.4
227.07091	2.7
245.08209	36.5
255.61267	1.2
271.06131	2.3
276.62445	1.5
289.07190	100.0
290.07605	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	289.1083
Annotation	Wentilactone B
Peak:m/z	Relative Intensity
55.61238	0.3
56.34097	0.3
63.02378	0.3
69.11805	2.0
69.12441	0.3
95.05019	0.4
97.02961	0.4
99.15399	0.4
105.03459	1.4
109.02946	1.6
113.09743	0.4
121.02959	2.4
123.04506	1.2
125.02439	1.0
126.04366	0.3
137.02501	0.8
138.05627	0.6
141.20523	0.3
148.01613	0.9
149.02429	7.2
151.03998	0.6
159.04550	0.3
160.05307	0.6
161.02324	0.4
161.06024	0.4
163.04060	1.0
163.45871	0.3
165.01868	0.5
165.05574	1.1
171.41838	0.4
173.06076	1.5
175.03993	0.8
175.07668	3.0
176.04782	0.9
181.08685	1.3
187.07664	1.8
191.07169	0.8
201.09279	0.5
202.09915	0.4
203.07178	1.1
204.07886	0.7
205.05086	0.4
206.05717	0.5
206.09309	0.5
210.05525	0.4
215.07133	4.8
217.04976	0.6
218.05876	0.5
219.06645	4.7
219.10095	1.8
229.08691	0.6
230.09479	12.5
231.06631	2.9
231.09894	0.5
232.07236	0.9
233.08173	1.2
245.07990	1.0
245.11829	19.6
246.08949	3.0
246.12100	1.0
259.06177	2.4
261.11264	1.4
274.08493	3.4
289.10815	100.0
290.11151	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1085
Annotation	trans-Resorcylide
Peak:m/z	Relative Intensity
54.51913	0.4
65.00320	0.7
79.05550	1.3
79.50212	0.4
81.03459	6.3
93.01327	0.5
105.03468	2.1
107.05059	0.9
109.02953	0.9
122.03741	0.8
123.04533	11.4
131.05003	0.7
131.71068	0.5
135.04527	0.9
142.26283	0.5
147.04533	0.5
149.02460	3.7
159.08070	0.6
159.11795	0.8
161.02444	3.3
161.06181	0.6
161.09669	0.7
162.03131	1.0
174.03232	1.2
175.04016	23.2
175.11302	0.7
176.04379	0.9
177.12801	1.0
186.06857	0.5
187.04036	1.2
188.04802	1.2
189.05573	5.2
190.02737	1.1
190.06352	2.4
194.02165	0.6
201.05573	0.7
201.12877	6.1
203.10814	3.5
209.08047	1.1
216.04242	0.6
234.96501	0.5
245.08241	0.7
245.09079	0.6
245.11800	8.6
247.09819	3.1
258.50052	0.5
262.98700	0.4
270.98846	0.6
289.10846	100.0
290.11145	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	289.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	4.0
58.32693	0.9
59.01368	1.3
71.01382	2.2
71.05013	1.3
73.02940	2.2
78.71974	1.0
79.07510	1.1
79.95738	3.4
81.03460	2.5
83.01369	1.8
83.05035	7.4
85.02961	3.5
87.00893	1.6
89.00325	3.5
92.99824	1.1
93.94743	1.0
95.05066	2.7
96.96015	4.0
97.02964	3.4
98.21791	1.8
103.03979	1.2
108.02169	1.4
109.02957	15.2
116.99813	1.5
117.03485	1.4
119.01425	1.2
121.02988	2.8
122.99847	1.0
123.00872	1.2
123.04540	9.0
125.02469	8.0
132.77983	1.2
133.02980	1.4
137.02435	6.6
139.04012	2.9
141.12808	1.2
144.99338	1.8
145.02937	1.9
147.11751	1.4
149.02428	2.3
149.09738	2.0
151.04036	5.7
153.01985	1.5
159.04539	1.6
160.98816	4.2
161.02417	2.7
161.06071	1.7
162.03131	1.1
165.01883	2.2
167.10774	7.8
167.12035	1.3
175.03964	2.0
175.07523	1.4
177.01923	1.3
177.12854	1.5
179.03525	6.6
179.14384	8.9
180.14555	1.1
185.11798	1.0
187.04008	2.0
188.04681	1.5
188.98283	3.7
189.01920	1.5
194.05838	4.6
195.13805	1.3
201.05556	2.1
203.07146	7.0
205.05049	3.6
207.13899	4.3
209.08194	5.3
209.15472	2.9
213.63145	1.1
216.97803	5.7
218.01416	1.1
221.08264	2.0
225.14900	0.9
227.16568	14.1
244.97266	1.8
245.00958	2.9
245.04602	1.6
245.08150	7.4
245.17583	21.8
246.17986	1.0
261.00308	1.5
271.15540	2.2
279.23410	1.0
288.96246	4.6
288.99850	6.1
289.03824	6.3
289.07227	24.3
289.16583	100.0
290.07510	1.4
290.16928	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	289.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.4
59.01364	0.7
68.40637	0.4
69.03447	0.6
71.05048	0.5
71.29195	0.4
79.95734	0.9
80.02699	0.5
81.03449	1.8
83.01398	0.8
83.05031	8.2
93.03468	0.9
95.05022	2.7
96.96034	2.3
97.02953	1.8
97.06590	0.7
97.07480	0.4
100.18201	0.4
104.00404	0.4
106.34973	0.5
109.02952	8.6
119.78647	0.5
121.02996	0.7
123.04534	4.9
125.02443	4.0
135.04494	0.7
137.02443	2.3
139.04015	1.1
149.02420	1.4
151.04022	2.4
151.11342	1.2
153.01918	1.9
153.12842	1.7
155.14423	1.3
159.04503	0.6
161.06073	1.1
163.11310	0.9
164.01212	0.6
165.01854	0.7
167.03589	0.5
175.04048	0.4
175.07510	0.7
177.12834	1.1
179.03503	2.3
179.12982	0.6
179.14430	7.6
181.10812	0.8
181.12347	13.3
181.13940	0.7
182.12685	0.7
185.49171	0.4
187.03964	1.3
188.04778	0.7
191.14453	0.5
195.13907	12.0
196.14259	0.6
197.15436	3.4
199.13359	2.0
202.06416	0.6
203.07144	2.2
205.05045	2.1
209.08202	0.9
209.15480	1.3
221.08107	0.8
225.15009	1.3
227.16525	9.6
245.08182	5.0
245.17569	20.1
246.17831	0.6
271.15524	2.8
289.03870	1.4
289.07318	11.9
289.16571	100.0
290.07373	0.6
290.14636	0.5
290.17001	5.1
293.58405	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	3.4
67.05531	0.7
71.01357	0.7
79.36084	0.8
81.03468	1.1
83.05032	1.7
93.03456	0.9
95.05055	1.2
97.06607	1.5
106.04240	0.8
109.06605	8.3
111.08214	3.3
119.08670	1.6
120.05828	0.8
121.06570	0.9
123.08158	1.5
125.09721	0.7
126.14204	0.8
134.02692	0.6
135.08141	2.4
137.09715	2.8
143.10796	1.2
145.06593	1.7
148.16689	0.7
149.09744	2.4
151.11278	4.1
152.66096	0.7
161.09790	0.9
163.11284	1.5
167.10878	1.4
171.36176	0.6
173.06096	0.7
177.12869	0.9
179.10779	1.0
181.12387	0.8
191.14407	2.1
195.13902	1.5
228.67834	0.7
243.17447	1.0
245.19112	13.3
246.19403	1.3
265.52466	0.7
271.17065	6.7
287.16595	1.6
289.07413	1.3
289.10953	4.7
289.18106	100.0
290.11108	0.8
290.18430	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	289.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42730	0.4
59.01377	2.3
69.09385	3.5
79.44936	0.6
80.02704	1.0
81.03437	0.6
83.05028	0.8
86.91119	0.4
95.05037	1.0
97.06586	0.7
98.21820	1.0
103.61368	0.4
106.04266	1.9
107.05087	0.7
109.02975	0.7
109.06599	10.4
109.07291	0.7
111.08174	2.8
112.27154	0.4
120.05846	0.6
121.03007	0.7
121.06573	0.5
123.08167	2.2
134.02521	2.6
135.02829	2.0
135.08171	0.9
136.04070	2.6
137.04393	2.0
137.09767	1.6
143.10820	2.5
145.06612	3.7
149.09749	2.9
151.11340	1.3
163.11359	0.5
163.78427	0.4
167.10847	1.9
179.10875	1.2
181.12457	0.8
191.14407	0.6
214.07855	0.4
229.15979	0.6
245.19101	7.0
271.17160	1.5
273.15100	1.4
287.16525	3.4
289.18231	100.0
290.18555	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	291.0149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60326	0.8
55.40023	0.7
65.92197	0.7
67.17797	0.6
69.13472	1.3
69.13880	3.7
71.73832	0.8
91.05553	1.8
103.05539	2.1
105.03474	8.6
105.62865	0.7
117.03465	1.1
119.05042	8.4
121.02943	1.2
130.04288	1.1
131.05025	4.4
132.72844	0.7
133.03020	1.2
135.04500	0.9
145.02975	2.7
147.04532	17.1
158.03763	4.1
159.04527	7.4
160.01662	1.1
163.03975	1.9
173.02437	2.9
174.03145	1.7
175.04016	77.0
176.04353	1.7
177.05595	6.6
190.02707	2.0
191.03506	7.8
197.98158	0.7
201.01970	1.0
203.03516	50.1
204.03850	2.5
219.02977	2.8
221.04584	10.3
247.02483	100.0
248.02826	4.3
273.00272	0.9
291.01514	21.5
291.07724	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0148
Annotation	Phyllanthusiin E
Peak:m/z	Relative Intensity
50.13337	0.4
57.03449	0.4
59.01365	1.3
62.12364	0.4
69.26152	0.9
69.26564	1.7
71.01382	1.3
73.02920	0.4
73.70145	0.4
74.18185	0.4
89.02457	0.6
91.05587	0.7
95.05027	0.5
97.02904	0.5
98.22550	0.9
101.02458	0.6
103.05514	1.1
105.03483	4.8
107.05076	0.6
109.02961	1.4
110.03265	0.7
113.02441	0.5
116.38224	0.4
117.03523	1.0
119.05036	6.4
120.99669	0.7
121.03003	0.8
123.04514	1.1
124.04796	0.5
125.02434	0.5
129.03490	0.5
130.04245	1.2
131.05032	1.6
133.02959	0.9
135.04492	1.1
145.02939	2.3
146.03726	0.5
147.04533	12.5
149.02463	1.0
157.02946	0.6
158.03731	1.7
159.04536	4.6
161.02419	1.2
163.04037	3.2
173.02443	3.6
174.03215	1.2
175.04010	46.5
176.01183	0.6
176.04399	2.0
177.05576	3.1
185.02351	0.6
189.01895	0.6
190.02693	3.0
191.03523	11.9
201.01947	1.3
203.03516	28.6
204.03848	1.2
205.07686	0.6
217.01329	0.5
219.02991	6.0
221.04552	5.7
229.01385	0.6
231.29016	0.5
239.74274	0.5
247.02489	100.0
248.02866	5.0
291.01492	14.0
291.07745	3.8
292.02127	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0149
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01041	0.7
63.35164	0.6
69.78564	2.5
89.61260	0.7
91.05549	2.2
93.03488	0.7
101.84409	0.7
103.05547	2.4
105.03471	9.9
108.75713	0.8
115.05537	1.2
117.03519	0.7
119.05037	10.7
121.02985	1.4
121.06608	0.9
130.04271	2.5
131.05070	4.8
132.02132	1.2
133.03030	1.6
145.02965	0.8
147.04541	23.2
148.04994	0.8
149.02458	1.2
158.03778	4.5
159.04539	10.3
161.02470	1.3
163.04041	1.8
173.02473	1.6
174.03189	1.3
175.04021	100.0
176.04384	2.6
177.05577	8.2
185.02600	1.0
191.03557	4.1
201.01953	1.1
203.03519	69.8
204.03781	2.1
221.04541	16.2
247.02487	82.8
248.02786	2.8
273.00574	1.7
291.01508	23.2
292.01837	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	291.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68856	0.1
59.96733	0.2
60.97497	0.3
71.30019	0.2
74.99073	1.5
75.07318	0.1
75.96204	0.3
82.78370	0.1
93.00117	0.6
106.73284	0.1
121.02974	0.2
134.99362	0.2
136.94756	0.1
136.97301	0.2
149.00977	2.3
161.06429	0.9
175.03992	0.3
191.03525	0.2
191.06157	0.1
192.98164	1.2
203.03510	0.2
206.99738	0.7
209.01286	4.2
210.01326	0.3
210.99323	0.2
217.07199	2.0
225.00745	0.6
247.02507	1.0
248.06903	0.2
275.05969	0.7
276.06036	0.2
289.07538	2.8
290.07718	0.3
291.09116	100.0
292.09247	8.2
309.10138	1.4
310.10275	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.124
Annotation	Curvularin
Peak:m/z	Relative Intensity
50.25451	0.5
54.08921	0.4
55.27903	0.4
60.98709	0.3
70.92428	0.5
75.89906	0.4
98.60747	0.5
107.79515	0.4
110.60891	0.5
111.04583	0.4
122.03651	0.4
124.24079	0.4
149.02437	1.0
149.09639	0.4
150.03215	1.4
159.26416	0.4
177.01924	5.2
177.05661	0.4
178.02718	3.1
191.07202	0.6
192.07939	2.7
200.03894	0.3
204.00665	1.2
205.01474	4.0
205.05081	5.1
206.02168	2.6
207.02649	0.5
215.03526	2.0
219.06598	3.4
219.13957	0.5
220.07417	3.1
230.05788	4.4
233.04567	2.8
247.06140	0.6
248.06898	100.0
249.07249	5.7
252.06377	1.1
263.12851	1.8
291.12402	64.1
291.23077	0.9
292.12714	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	291.1237
Annotation	Curvularin
Peak:m/z	Relative Intensity
57.61782	0.2
71.27931	0.2
85.37137	0.2
87.04517	0.3
95.05004	0.4
111.04552	0.7
121.10203	0.5
122.03738	0.4
123.08189	0.2
125.09716	0.3
133.02998	0.3
136.05321	0.5
149.02448	1.0
150.03244	1.4
151.07715	0.4
161.06212	0.4
173.33559	0.2
176.01195	0.3
177.01930	6.2
177.05589	0.5
178.02742	2.7
178.06367	0.3
185.11858	0.4
189.05609	0.3
191.07193	0.8
192.07932	4.1
193.08675	1.0
204.00662	1.6
205.01462	4.5
205.05069	6.6
206.02234	2.9
206.05330	0.4
210.01740	0.6
215.03503	2.2
217.12329	0.6
219.06593	4.5
219.13889	0.6
220.07439	3.8
221.08131	0.3
224.06891	0.3
230.05853	4.7
231.57841	0.3
233.04562	3.5
234.04993	0.3
247.06146	0.8
247.13380	0.4
247.81427	0.2
248.06911	100.0
249.07260	5.0
252.06335	0.8
258.76306	0.3
263.12912	6.9
264.13272	0.6
281.66162	0.3
291.12405	84.8
292.12756	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	291.1243
Annotation	Curvularin
Peak:m/z	Relative Intensity
56.06683	0.3
57.03424	0.3
58.69065	0.3
63.02397	0.5
64.74815	0.3
65.00321	0.4
68.69687	0.3
68.70100	0.3
70.49142	0.4
78.54670	0.3
79.05537	4.0
81.03466	3.6
93.03537	0.3
95.27058	0.3
105.03471	2.0
121.02969	0.4
123.04543	10.3
123.08106	0.4
124.04876	0.3
125.02525	0.4
146.03723	0.9
147.00905	1.2
147.04500	0.6
149.02454	6.3
159.04543	0.4
160.05289	0.7
161.02490	1.5
162.03268	0.9
175.03976	1.3
176.01128	0.5
183.58339	0.3
190.02727	10.4
191.03549	2.9
194.02144	0.4
203.03575	1.6
203.10948	0.4
203.14423	7.0
204.04315	3.5
205.12456	0.4
211.03636	0.6
223.13440	1.3
236.03229	1.1
245.11868	0.3
247.02431	2.3
247.13385	6.6
248.02646	0.4
248.13751	0.4
263.12823	0.5
273.11310	0.7
280.13260	0.3
291.12411	100.0
292.12729	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	291.1598
Annotation	7-Demethoxy-7-oxo-albocycline
Peak:m/z	Relative Intensity
51.96903	0.4
55.01883	0.6
56.10829	0.4
57.03460	0.6
59.01364	0.9
71.05017	0.7
73.80975	0.5
79.01909	0.9
80.52821	0.4
87.99204	0.5
99.08158	1.1
101.06133	0.7
107.08694	0.5
109.06591	3.3
111.04509	0.6
116.14185	0.5
122.03745	1.0
123.04569	0.6
125.06094	8.1
133.06596	1.0
134.86659	0.5
137.09740	2.4
138.03239	1.5
139.11285	0.8
147.04489	0.6
149.02440	0.9
151.03946	0.8
159.11897	0.5
163.04015	1.0
163.11324	4.2
164.04779	2.2
165.09279	2.8
177.01909	0.8
177.05478	0.6
179.03551	0.6
179.10754	1.5
180.04294	1.1
187.07666	0.9
189.09212	1.0
190.02644	1.3
191.03487	1.9
191.14366	1.6
192.04257	1.9
199.38272	0.5
202.09979	0.8
204.04346	0.6
205.05128	0.9
205.08710	1.1
207.10257	13.6
208.10519	0.8
219.06529	1.0
219.10213	0.7
222.08940	0.7
233.04643	0.6
233.08186	7.7
235.09735	0.9
245.15431	4.3
247.02480	2.0
247.09773	4.6
247.16988	7.7
248.06863	5.2
248.10602	1.0
248.17252	0.8
261.11411	0.6
273.14996	1.5
291.16022	100.0
292.16391	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	291.197
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16336	0.4
57.03435	1.8
59.01397	2.2
60.34007	0.4
69.08598	0.4
71.28186	0.5
83.05005	1.0
93.03440	0.6
95.05023	1.3
109.06589	0.6
111.08173	15.4
113.09707	0.8
137.09752	1.2
149.09692	1.1
167.10785	2.4
177.12865	2.4
179.10829	3.2
186.64946	0.5
195.13918	8.5
196.14337	0.5
242.25047	0.4
247.20685	3.5
248.06892	3.2
273.18585	1.5
291.12985	2.9
291.19675	100.0
292.20016	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	291.197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.9
59.01366	1.4
66.08009	0.5
71.05020	5.2
93.03470	0.5
93.07118	0.9
97.06593	2.6
111.08183	0.6
119.05020	0.7
119.08669	2.9
121.02961	0.7
121.10239	8.1
123.08137	1.0
125.08881	0.6
125.09726	3.9
137.09773	0.5
141.12801	1.0
147.08238	0.7
155.06250	0.5
163.11301	0.8
165.12827	1.6
171.10219	2.6
175.04039	1.5
185.11852	11.2
190.09880	0.5
197.11861	2.4
203.03554	0.6
207.13971	0.8
209.11835	1.5
210.22397	0.5
211.13438	1.5
219.17645	0.6
229.19588	1.6
245.58574	0.5
247.02492	2.9
247.13239	0.5
247.17082	1.3
247.20737	2.6
273.18634	4.2
289.18076	0.6
291.19656	100.0
292.20062	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	291.1967
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
50.06614	0.7
57.03454	1.6
59.80289	0.7
67.05549	0.8
68.13347	0.7
69.20028	5.7
93.07082	0.8
97.06606	1.6
98.22501	1.5
101.39371	0.7
111.08160	5.3
111.27396	0.7
121.10243	10.9
123.08181	1.3
125.09747	6.5
141.12895	0.9
167.10712	0.8
170.47676	0.8
175.04010	1.0
179.10666	0.7
185.11833	15.0
195.13943	2.2
197.11826	3.1
203.03500	1.1
209.11874	1.5
211.13406	1.6
247.02443	1.7
247.20683	1.5
273.18567	1.8
291.19690	100.0
292.20016	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	291.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.5
59.01371	0.9
67.13251	0.7
69.03458	0.8
69.63743	1.8
69.64154	2.4
83.05034	0.7
93.03459	0.8
93.07088	1.2
95.05025	1.0
97.06635	1.3
97.70051	0.7
111.08167	6.4
121.06597	0.7
121.10255	12.4
123.08150	1.2
125.09717	5.8
132.94394	0.8
147.08147	1.0
167.10831	1.5
171.72005	0.8
175.04016	2.5
177.12839	1.5
179.10820	1.5
185.11819	10.4
191.03531	1.8
195.13916	2.8
197.11862	3.9
203.03560	1.3
209.11900	1.7
211.13411	1.0
247.02524	6.7
247.13219	0.8
247.20763	1.5
251.52580	0.8
273.18619	2.1
291.01413	1.3
291.09045	2.5
291.19678	100.0
292.20004	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	291.1969
Annotation	12-OPDA
Peak:m/z	Relative Intensity
59.01363	0.7
60.45409	0.4
62.38035	0.4
71.28484	0.6
73.64570	0.4
89.83566	0.4
96.83482	0.4
97.06590	0.4
97.32865	0.3
104.22182	0.5
111.37960	0.3
119.05028	0.4
125.06068	0.9
148.08939	1.1
150.10468	1.3
151.11308	0.7
163.04021	0.5
163.11299	1.4
165.12857	22.3
166.13158	1.2
175.03954	0.5
176.12022	0.5
177.12694	0.6
180.57893	0.4
191.14442	0.7
217.15907	0.6
242.93143	0.4
245.19098	0.4
247.02577	0.8
247.09744	1.5
247.20677	11.2
248.06918	1.0
248.20967	0.9
273.18622	7.0
278.31476	0.5
291.08752	1.3
291.19666	100.0
292.20029	7.8
313.65967	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.013
Annotation	Unknow
Peak:m/z	Relative Intensity
58.21684	1.1
59.01397	1.5
70.56288	2.4
70.91854	1.0
80.96516	9.0
95.95260	2.3
117.87452	1.2
166.47812	1.1
167.05104	1.4
169.06654	3.0
174.38757	1.0
195.04665	1.3
197.37068	1.1
211.04033	17.5
212.04797	7.0
213.05597	100.0
214.05925	4.6
241.13451	1.0
249.15054	1.2
278.32748	1.0
293.01602	5.0
293.04388	1.6
293.14145	1.9
293.17667	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0881
Annotation	6-Tuliposide B
Peak:m/z	Relative Intensity
58.00598	3.6
59.01099	4.9
59.01382	91.7
68.03870	2.9
69.03457	11.4
71.01385	95.4
71.28136	4.3
72.99315	6.3
73.02957	43.7
75.00867	3.4
75.44307	2.9
81.03430	5.9
83.01385	7.5
85.02951	16.5
87.00872	3.3
89.02450	100.0
95.01382	7.8
97.02950	21.7
99.00889	37.3
99.04517	3.4
101.02449	40.6
112.06160	2.7
113.02444	5.7
115.04020	11.9
115.49938	2.9
125.02461	46.7
127.03986	3.1
131.03540	4.7
140.65744	3.4
141.84572	3.1
143.03484	6.1
149.04585	5.5
149.69431	2.9
175.61029	2.8
191.05609	9.5
233.06621	13.4
256.46396	3.2
293.13995	18.2
293.16980	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	293.0883
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
50.49159	1.2
52.72464	1.1
55.01878	3.6
57.03438	3.3
58.00581	3.8
59.01384	100.0
65.22041	1.1
67.74578	1.3
69.03459	2.0
70.08082	1.4
70.08414	3.0
71.01388	62.9
71.16762	1.2
72.99303	4.2
73.02954	30.2
83.01402	7.6
85.02958	23.0
87.00864	3.2
89.02453	39.2
90.02744	1.5
92.21722	1.2
95.01389	5.0
99.00895	4.5
101.02449	38.4
103.04056	6.2
106.99906	2.2
113.01734	2.3
113.02463	30.9
119.03519	15.5
125.00931	2.5
131.02547	2.3
131.03510	34.1
159.02983	1.3
161.04572	10.0
164.93765	1.3
167.02010	2.9
173.04625	1.8
183.00050	1.4
183.01608	1.3
205.05296	1.7
208.97943	13.4
209.98036	1.3
213.52901	1.3
226.98973	3.6
240.22102	1.2
250.98984	13.4
251.98940	2.4
293.00076	18.5
293.08807	75.9
294.00153	3.3
294.09055	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	293.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51550	6.2
57.03460	8.7
57.56110	5.7
58.02987	8.9
59.01383	11.2
70.45585	11.1
71.01388	9.9
79.05559	6.0
81.18473	5.2
85.06594	88.2
86.48631	5.5
87.04504	5.7
91.05535	9.5
93.07110	13.2
107.78091	5.1
108.88654	5.3
109.02971	5.7
109.06601	8.2
111.04510	26.3
116.73295	4.9
119.05037	65.1
123.08218	9.4
134.36632	7.1
135.08176	33.3
136.08954	15.3
163.11308	14.2
164.08388	5.7
167.07146	23.9
177.09285	8.0
179.10913	9.8
181.05023	6.5
181.08704	13.6
192.11609	15.3
193.12350	11.4
193.15952	41.5
205.12366	55.7
206.12579	6.0
207.06612	16.2
208.32097	6.1
209.08170	8.5
220.14619	26.1
221.08286	8.0
221.15436	48.7
223.09773	11.4
235.13376	7.8
236.10611	30.4
237.11343	25.8
249.15030	16.8
249.18661	15.4
251.12924	17.9
265.08600	14.0
293.02335	8.8
293.08121	9.3
293.13959	100.0
293.17624	43.3
293.20880	57.7
294.09009	9.7
294.14374	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	293.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.2
58.00593	2.0
59.01382	54.6
59.46213	0.7
59.48909	0.8
65.02788	0.8
67.66240	0.7
69.80009	3.2
71.01389	25.7
72.00871	0.8
72.99316	2.0
83.01395	2.3
85.02962	6.1
85.06590	21.4
87.00862	2.5
89.02451	27.2
95.01382	1.7
98.22505	1.0
101.02439	17.3
113.02459	9.2
113.06115	4.5
115.07635	3.1
119.03503	11.2
124.29243	0.9
127.07648	2.2
131.07153	75.9
132.07480	1.5
161.04642	0.9
173.08186	2.8
179.05569	1.2
192.84785	0.8
268.14505	0.9
293.12448	100.0
294.12723	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	293.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30920	0.7
54.87938	0.7
57.80902	0.8
58.00581	2.0
58.94859	0.7
59.01381	49.2
60.01697	0.7
62.66144	0.7
67.04828	0.8
69.12897	2.4
69.13308	3.5
71.01387	22.3
72.00865	0.9
72.99318	1.7
73.02938	1.5
83.01396	2.3
85.02943	5.3
85.06596	18.1
87.00893	1.7
89.02444	23.7
90.76595	0.7
95.01402	1.9
98.22526	1.5
100.00411	3.9
100.33881	0.7
101.02441	14.4
105.72964	0.7
109.57580	0.7
113.02464	9.0
113.06084	2.7
115.07629	1.4
119.03502	10.2
127.07641	2.0
131.07150	79.7
132.07513	2.1
133.03888	0.8
140.01599	0.8
143.03441	0.9
144.03001	3.3
148.06323	4.9
161.04602	0.8
173.08186	1.9
207.42227	0.8
223.99649	0.8
240.18935	0.7
293.12442	100.0
294.12808	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	293.1395
Annotation	Pyrethrosine
Peak:m/z	Relative Intensity
50.56794	0.6
52.59465	0.6
57.03441	2.5
59.01382	1.6
63.56194	0.7
68.43090	0.7
71.05017	3.4
71.28458	1.1
83.05025	2.4
85.05976	0.8
85.06551	1.0
91.01891	0.6
95.05025	2.2
97.02946	0.8
101.06097	2.0
107.05054	0.9
109.02985	1.8
109.06603	2.1
111.04537	11.1
121.06533	0.7
121.10256	5.6
122.03770	1.2
123.04631	0.7
123.08184	12.2
125.06088	7.2
135.04536	0.9
136.08965	1.1
137.06142	0.7
137.09723	16.9
138.03250	2.1
138.10132	0.7
141.09229	1.9
141.83708	0.7
147.08147	2.1
149.06088	0.7
149.09691	1.3
151.04019	1.2
151.11304	1.1
155.10847	0.9
159.55232	0.6
163.00510	1.5
163.07599	1.0
164.08440	0.6
165.01929	1.2
165.09213	4.5
166.02730	6.7
167.07104	3.2
171.10297	8.3
177.09184	2.1
178.09998	3.1
179.10791	1.3
181.08730	1.9
191.07195	3.5
192.11435	1.2
193.08702	0.9
193.12288	1.2
193.15985	2.0
195.13939	1.2
205.12453	0.6
205.15959	1.2
207.06619	1.3
207.13911	10.6
209.08180	15.3
220.14700	1.8
221.08255	1.2
221.15346	4.5
222.08955	3.1
223.09789	1.0
223.13393	0.9
223.17105	5.2
231.13898	1.8
234.69044	0.6
235.09766	6.7
236.10555	3.2
249.11177	1.1
249.14935	8.6
249.18742	1.4
251.12898	1.8
275.12949	1.7
275.20166	8.5
293.13980	100.0
293.17490	3.7
293.21063	17.8
294.14197	6.0
294.21600	1.1
297.59183	0.6
301.22882	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1398
Annotation	Oidiolactone E
Peak:m/z	Relative Intensity
67.05524	1.3
67.38522	0.4
68.99806	1.1
69.28850	3.1
71.77973	0.4
82.23824	0.4
87.04514	12.7
95.05014	0.5
96.96006	3.0
97.57592	0.4
109.06609	1.7
111.04527	78.4
112.04865	1.4
125.06133	0.5
135.04504	1.5
137.09735	3.4
153.05565	2.0
177.09212	0.6
178.10017	0.8
179.07130	0.5
179.10783	7.2
181.08687	1.4
190.24054	0.5
193.15964	0.8
207.06635	1.5
207.13907	0.6
220.14716	1.6
221.15465	2.8
223.09795	1.8
236.10553	1.7
249.14958	44.0
250.15292	2.3
251.12903	1.8
251.91953	0.4
265.11105	0.5
275.12976	0.8
293.13971	100.0
293.17502	5.3
293.21100	2.1
294.14276	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	293.1398
Annotation	Pyrethrosine
Peak:m/z	Relative Intensity
53.38198	0.4
59.01387	0.5
64.74493	0.4
66.10176	0.4
69.17708	3.3
71.01340	0.4
79.01915	1.1
95.05054	0.8
96.96017	7.6
98.21793	0.8
109.06561	0.5
110.65872	0.4
111.04533	6.3
123.08165	3.7
124.01643	0.4
125.06104	5.9
137.09729	5.5
138.10109	0.4
139.04050	1.0
139.58435	0.5
147.08145	1.4
149.06104	0.4
163.07675	0.9
165.01917	0.5
165.09271	2.2
166.02731	1.4
167.07175	0.7
173.06067	0.4
179.10809	0.9
181.08698	0.6
189.05528	0.5
191.07227	1.0
193.01460	0.8
194.02263	0.4
205.08710	1.2
206.02254	0.6
207.02872	0.4
209.08192	4.3
220.03830	1.6
221.15477	1.4
223.09735	1.5
229.12352	0.9
231.13861	1.4
235.06171	3.7
236.10542	1.1
247.13399	10.2
248.13911	0.8
249.07620	2.6
249.14938	2.0
251.12885	1.2
257.11880	0.7
260.10562	0.7
275.12915	7.3
276.13202	0.6
293.13992	100.0
293.17700	9.7
294.14328	6.8
294.17603	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1396
Annotation	Pyrethrosine
Peak:m/z	Relative Intensity
55.01874	0.7
57.03445	2.2
57.03700	0.5
58.02991	3.2
59.01389	2.4
68.99833	0.7
71.01385	1.5
71.05026	4.4
72.04983	0.5
79.01913	1.6
81.03474	1.1
83.05039	2.6
83.08617	0.5
83.86932	0.5
87.04530	1.8
93.03481	1.3
95.05061	2.5
97.02979	1.4
99.08183	0.9
101.06096	1.6
109.02963	1.7
109.06615	3.1
111.03834	1.0
111.04533	10.7
121.02944	0.5
121.06610	1.4
121.10279	1.4
122.03755	0.8
123.08181	12.1
125.06095	9.4
135.04503	0.8
135.08205	0.9
137.02531	0.7
137.06142	0.6
137.09740	17.6
138.03282	2.8
138.10052	0.5
139.04041	4.3
141.09219	2.0
147.08192	1.5
149.06102	0.9
149.09772	1.1
150.70317	0.5
151.04036	1.5
151.11270	1.0
155.10815	0.6
163.07642	0.8
164.08400	0.6
165.01982	1.5
165.09209	5.8
166.02739	6.9
167.07152	3.1
167.10794	0.6
171.10275	1.3
172.66885	0.5
173.06084	0.6
177.09207	3.1
178.09999	4.5
179.03502	0.7
179.10783	2.1
181.08743	1.4
189.12805	0.6
191.07166	1.5
191.10814	1.0
192.07980	0.8
192.11594	1.6
193.12367	1.5
198.10667	0.5
203.14462	1.0
205.12349	2.1
207.06676	1.1
207.11998	0.9
207.13933	12.9
209.08215	17.8
210.08496	1.1
217.04959	0.7
219.10263	0.7
219.81546	0.5
220.14716	7.8
221.08200	1.4
221.15469	17.4
222.08951	3.7
222.15849	1.3
223.09778	1.3
231.13986	3.6
233.11909	0.8
235.09749	6.0
235.13496	1.6
236.10550	11.9
238.08575	1.0
247.13326	1.0
249.14977	10.2
250.15092	0.6
251.09134	0.6
251.12935	1.4
275.12918	3.3
275.20175	2.0
278.11386	0.7
280.66684	0.7
288.92966	0.5
293.13995	100.0
293.17511	5.6
293.21155	3.7
294.14285	5.7
294.17334	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1401
Annotation	Pyrethrosine
Peak:m/z	Relative Intensity
55.01871	1.4
55.20771	0.4
57.03447	1.1
70.92446	0.6
71.05009	0.7
79.01878	0.9
80.02676	1.1
81.03476	0.7
83.05029	0.7
83.73192	0.3
85.06598	7.5
85.63911	0.4
87.04535	2.0
93.03484	0.9
95.05055	2.1
97.02980	1.0
97.06624	2.3
99.08103	0.4
107.05026	1.0
109.02943	0.9
109.06606	11.5
110.03776	0.4
110.06902	0.4
111.00903	0.7
111.04532	12.5
112.05308	0.8
121.06593	1.9
123.04505	1.0
123.08178	18.1
124.05300	0.6
125.06093	8.4
125.09688	1.2
135.04510	0.7
135.08119	0.5
136.05309	1.4
136.08960	6.0
137.02510	0.4
137.06126	0.6
137.09758	5.7
138.03244	4.7
141.09250	1.1
150.06865	4.4
151.03986	1.1
152.04742	0.4
153.09219	0.7
155.10793	2.4
161.09792	0.9
163.07622	2.7
164.08449	1.5
165.05504	0.7
167.07098	2.6
169.12299	0.5
177.09232	1.3
178.09888	0.5
179.03424	0.7
179.10793	19.1
180.04279	1.3
180.11124	0.7
181.08716	15.9
192.11565	3.6
193.12387	0.7
193.15993	9.6
194.16449	0.4
205.08716	0.8
206.09489	2.1
207.06621	1.7
207.13945	1.4
208.07315	0.5
220.14722	0.6
221.08206	1.1
221.15439	1.5
222.08943	1.6
223.09758	22.2
224.10078	1.0
231.13887	0.6
232.07520	0.9
235.09572	0.5
236.10490	0.6
237.11307	1.1
247.13472	0.5
249.07654	1.2
249.11293	0.6
249.14954	5.1
249.18614	3.2
250.08563	0.5
263.09052	0.5
265.10828	2.3
275.13046	0.6
293.10452	8.1
293.13968	100.0
293.17493	4.7
294.11032	0.6
294.14310	5.5
294.17526	0.8
300.63339	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1396
Annotation	Oidiolactone F
Peak:m/z	Relative Intensity
55.01892	0.4
58.02962	0.8
59.01354	0.5
66.49500	0.3
67.01886	0.4
67.44977	0.4
67.45322	0.4
71.01353	0.4
79.01897	0.5
81.03478	0.4
85.02893	0.3
87.04521	0.5
89.67377	0.3
92.59713	0.3
95.05033	0.6
97.02943	1.1
109.06596	10.2
110.06911	0.4
111.00867	1.3
111.04531	3.1
121.06606	0.5
123.04543	0.7
123.08169	3.7
125.02451	1.4
125.06114	1.9
135.08173	0.5
137.06113	1.6
137.09746	2.1
139.04039	0.6
147.08145	0.7
149.06187	0.4
151.03979	0.5
161.09732	0.4
163.07649	0.5
163.84137	0.3
164.08456	1.8
165.05577	0.5
165.09230	1.1
166.02776	0.7
166.06372	2.1
167.07092	0.8
175.11253	1.8
177.09265	0.8
179.07176	3.6
179.10785	6.4
180.56110	0.3
181.05096	0.4
191.07164	4.9
191.10858	0.5
193.08716	0.4
203.10835	0.4
205.08755	0.6
205.12321	0.7
207.06668	0.6
208.07433	1.1
209.08183	2.5
219.10268	16.2
220.03705	0.6
220.10660	0.7
221.04634	0.5
221.11778	0.5
223.09773	1.2
228.83147	0.5
231.10188	0.4
233.11990	0.4
234.12608	5.2
235.06154	1.5
235.13161	0.5
247.09732	0.9
249.14966	100.0
250.15303	5.1
255.98860	0.4
265.10837	10.3
265.14243	1.1
266.11447	0.7
275.09430	0.5
275.12796	0.5
288.64227	0.4
293.07007	1.0
293.10339	23.2
293.13965	39.9
293.17380	1.6
294.10568	1.0
294.14270	2.3
294.17157	0.5
296.76495	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.14
Annotation	Oidiolactone F
Peak:m/z	Relative Intensity
55.01862	1.3
57.03462	7.3
59.01384	5.4
61.92001	1.1
64.19538	1.0
65.00317	1.0
69.04712	9.6
71.01393	5.7
73.02943	1.9
77.41461	1.3
79.77367	1.1
81.03465	2.3
83.01392	2.1
85.02970	1.3
89.02455	4.4
95.01389	3.2
95.05012	1.4
96.96000	2.5
97.02956	2.1
98.21813	2.7
99.00933	1.6
101.02476	1.9
107.05061	1.6
108.02182	30.9
109.02984	1.2
110.03727	5.5
111.04555	1.8
121.02953	4.5
123.00917	1.5
123.04533	4.5
123.08135	1.6
125.02453	7.9
134.03761	23.2
135.04517	4.5
135.08174	1.5
136.05290	4.0
137.02429	1.9
137.06100	5.4
139.99789	1.2
148.05331	1.6
149.09729	1.5
151.04033	1.8
152.04810	7.3
157.06677	1.3
159.11810	12.9
160.08607	1.2
161.06119	2.8
161.09709	1.6
162.06892	2.8
163.07675	18.3
169.01439	3.8
173.09703	5.5
175.07677	3.0
175.11192	2.7
177.09161	2.5
177.12817	1.3
179.10773	14.3
184.03780	1.8
185.06120	1.3
187.07608	1.7
187.11279	11.3
189.12839	3.9
191.10765	2.4
193.08665	1.6
201.09233	3.5
202.09966	4.4
203.10806	10.5
203.14439	1.4
204.11540	2.1
204.68199	1.3
205.12341	37.3
206.12689	1.7
207.13902	6.5
211.33742	1.2
213.12851	7.4
215.10779	22.1
219.10234	2.5
221.11763	1.4
229.12436	7.3
230.13083	2.6
231.10416	17.4
231.13913	100.0
232.14261	6.3
233.11897	5.2
235.13354	1.4
247.13454	6.6
249.11339	12.4
249.14972	51.9
250.15352	2.7
251.12872	3.6
257.11908	4.4
260.10614	1.9
264.09958	1.5
275.12912	69.9
276.13257	3.2
293.04901	5.0
293.13989	73.0
293.17499	2.7
293.21164	2.4
293.54996	1.4
294.14267	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	293.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11357	0.4
69.29854	1.7
69.30265	0.4
71.01385	8.0
98.22472	0.7
127.07668	0.9
148.05316	1.3
151.07703	0.7
164.08418	1.4
177.09222	5.4
192.11575	7.3
193.12051	0.7
205.12332	8.2
207.13962	0.7
217.08798	0.5
218.09402	2.3
220.14693	51.7
221.15468	100.0
222.15800	5.0
235.13434	1.4
236.10545	69.2
237.10934	3.9
293.14020	1.1
293.17542	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	293.1762
Annotation	Embelin
Peak:m/z	Relative Intensity
56.54158	0.4
57.03451	56.5
58.02988	2.0
58.03785	0.6
59.01405	0.5
68.97784	4.1
72.28093	0.4
78.80298	0.4
95.05033	0.7
98.21815	0.9
100.92817	0.5
111.04520	0.9
113.09721	0.8
123.08186	0.6
125.06095	1.1
137.18219	0.4
139.04042	0.7
151.04063	0.4
166.06328	0.4
167.07166	0.8
177.09177	0.7
179.10776	1.1
181.08728	3.8
186.74611	0.4
190.22284	0.3
205.08698	1.4
207.10274	0.7
209.08209	0.5
220.11017	1.8
220.14606	2.1
221.08249	0.7
221.11786	1.0
221.15494	4.8
221.17513	0.7
222.09026	0.6
223.09787	4.1
224.06808	0.9
235.09946	2.6
235.13400	21.2
236.10512	3.2
236.13809	0.8
247.13135	0.5
265.14435	0.5
293.14078	9.2
293.17584	100.0
294.14224	0.6
294.17868	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	293.1755
Annotation	Embelin
Peak:m/z	Relative Intensity
56.10952	0.3
59.01374	0.8
79.95746	0.9
81.95334	0.3
95.01384	1.3
95.95231	0.3
96.02179	0.9
96.13580	0.3
96.96018	40.7
98.22647	0.5
98.32689	0.3
105.11302	0.3
111.00886	2.1
112.95992	0.3
123.00895	3.3
124.01672	6.3
126.71861	0.3
128.01117	0.7
133.67142	0.3
151.00346	1.2
152.01167	4.8
153.01923	0.4
157.35820	0.3
161.99406	0.4
165.01917	1.1
166.02725	2.1
184.00127	2.6
192.11665	0.5
193.15976	0.9
201.71793	0.3
220.14650	1.6
221.15443	3.6
236.10619	2.2
249.18687	0.5
265.18112	5.1
293.17700	100.0
294.17978	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	293.2125
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
57.03434	1.2
59.01403	0.8
69.06879	4.2
71.01380	0.6
82.60492	0.5
88.86339	0.5
97.06535	0.6
98.22555	1.2
106.07192	0.5
123.08155	1.5
136.02231	0.5
139.11304	2.5
142.96854	0.5
151.11353	3.9
153.09198	0.7
160.26788	0.5
177.09181	0.6
177.12834	0.8
192.11630	1.1
193.16025	2.0
205.75478	0.6
220.14706	2.8
221.15497	4.9
236.10544	3.8
249.22253	28.2
250.22610	1.5
275.20166	0.8
293.21249	100.0
294.21609	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	293.2125
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
56.05283	0.4
57.03432	1.4
69.13638	3.9
89.38138	0.5
97.06600	1.0
98.22527	1.1
123.08164	0.9
125.09740	4.3
127.17800	0.5
141.12860	1.8
149.09715	2.2
167.14316	0.7
176.78819	0.5
185.11833	9.8
197.11780	2.0
208.10872	0.5
221.82703	0.6
249.22333	0.9
275.19986	0.8
293.21246	100.0
294.21503	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	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.8
57.82208	0.5
59.01392	0.7
71.01373	0.6
81.95299	0.6
83.05020	0.5
93.23077	0.5
101.85406	0.5
123.08095	0.7
125.09746	3.9
127.43536	0.5
136.22687	0.6
141.12865	1.1
149.09708	2.0
154.27406	0.5
177.02011	0.6
182.58704	0.5
185.11848	8.2
193.15981	0.7
197.11891	2.6
220.14714	1.8
221.15468	2.9
236.10580	1.8
249.22231	1.0
275.20276	0.6
293.21243	100.0
294.21613	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	293.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64034	0.5
56.47388	0.4
57.03233	0.4
57.03453	5.1
57.07046	0.5
59.01369	2.0
60.42923	0.5
69.17923	4.1
71.56619	0.5
97.06565	0.8
109.06618	0.8
113.09741	16.0
125.09720	1.0
127.39874	0.5
129.41185	0.4
135.11792	0.9
139.11290	2.0
143.21091	0.5
145.62148	0.5
149.09697	1.2
167.10719	1.6
177.12872	1.0
179.10854	1.2
185.11852	2.2
195.13892	2.8
197.11824	0.7
249.22250	1.6
275.20026	0.6
293.21246	100.0
294.21564	5.4
312.12897	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44714	1.0
70.62081	2.0
70.62412	1.1
73.21658	0.8
92.68005	0.9
173.74948	0.9
179.14455	1.0
190.17290	0.8
195.13925	15.5
196.14665	1.2
205.12247	1.4
223.13435	10.9
228.13719	2.7
256.13126	4.1
275.20129	8.2
293.21249	100.0
294.21515	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.0
68.20366	1.7
70.62852	2.8
70.63182	3.5
72.60622	1.5
77.26744	1.6
78.92876	1.7
88.37525	1.6
121.10240	50.8
124.97716	1.8
138.59319	1.6
171.10278	90.6
172.10603	4.4
183.13916	6.6
185.11855	3.7
221.15462	3.2
225.47231	1.7
231.21190	6.4
236.10426	2.6
275.20163	100.0
276.20557	8.7
293.17944	3.0
293.21240	74.2
294.21558	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	293.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	2.0
57.24057	0.3
57.71866	0.3
58.02971	2.3
58.08937	0.3
59.01374	1.7
71.01385	0.5
71.05013	0.5
71.28405	0.6
83.05025	0.4
84.71502	0.4
85.06609	0.5
87.04514	0.9
94.64012	0.4
95.01368	0.4
95.05061	1.0
96.05077	0.4
97.06611	0.7
109.02939	0.4
111.04526	1.3
112.13453	0.4
113.09747	2.2
119.08553	0.3
122.03745	0.4
123.04536	0.5
123.08189	3.6
125.06093	1.3
125.09740	4.5
137.09708	0.9
138.03232	0.6
139.04047	0.7
139.11314	0.5
141.12865	1.2
149.09743	1.5
151.04030	1.0
151.07640	0.4
151.11266	0.5
156.13957	0.6
157.14240	0.6
163.07693	0.4
164.08408	0.4
165.01953	0.4
165.09219	0.5
166.02655	0.4
167.10732	1.2
177.09232	1.5
179.10803	2.2
181.05081	0.5
181.08731	1.2
185.11858	8.3
186.12244	0.5
191.07240	0.4
192.11568	0.5
193.12364	1.0
195.06552	0.3
195.10272	0.8
197.11801	2.4
203.14415	1.1
205.04968	0.6
205.08755	0.8
205.12344	0.7
205.15862	0.5
207.06601	0.6
207.13943	0.8
208.07364	0.9
209.08109	0.6
220.14671	2.6
221.08144	2.8
221.15451	6.0
223.09789	5.4
224.06937	1.1
235.09796	2.3
235.13432	1.7
236.10533	4.9
237.11182	0.4
247.13409	0.4
249.11433	0.4
249.15015	1.7
249.22301	0.6
251.12842	0.8
275.13037	0.5
275.20236	0.6
293.08517	2.2
293.14185	18.6
293.17929	4.2
293.21240	100.0
294.08939	1.4
294.14218	1.8
294.16943	2.4
294.21545	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	294.1713
Annotation	Serratezomine B
Peak:m/z	Relative Intensity
52.73336	0.5
58.02980	100.0
58.15911	0.6
59.03323	1.1
69.18272	4.6
80.46775	0.6
87.38725	0.6
90.63964	0.6
130.34520	0.6
135.45833	0.5
154.76501	0.6
179.07184	2.0
181.08743	1.8
187.81424	0.8
205.08740	1.6
220.11093	2.5
235.13393	31.8
236.13786	1.7
251.16533	1.9
294.17120	99.1
295.18060	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	295.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82957	0.7
52.64635	0.7
53.31597	0.8
56.25610	0.8
60.72164	0.8
68.99825	1.9
69.39826	4.0
79.01896	7.8
81.03493	0.9
85.45396	0.8
95.05059	2.0
97.02954	1.0
99.08198	1.0
103.01933	1.0
109.02945	1.9
111.04527	18.2
111.05244	1.2
113.54188	0.8
121.02958	1.8
121.77106	0.7
123.04498	1.5
123.08163	2.2
125.06110	6.7
133.02951	1.6
134.03787	1.0
135.04541	2.7
137.09741	1.5
139.04036	2.2
145.02989	4.9
147.04510	1.6
147.08192	6.9
148.05313	0.8
149.06093	16.8
159.04514	0.9
161.02243	0.8
161.09689	1.7
163.03955	1.3
163.07529	0.9
165.01988	1.4
167.03568	2.3
173.06064	1.9
179.07155	1.1
179.10869	4.5
185.05984	0.9
190.99823	1.5
191.07178	5.7
193.01443	3.6
193.15939	1.5
194.16278	2.4
195.16626	0.8
205.08693	3.3
206.02240	3.8
207.03038	2.6
217.05139	2.3
219.03062	1.4
220.03777	11.2
223.07761	1.3
223.09756	4.8
225.09328	1.1
233.08205	2.6
235.06122	100.0
236.06491	3.5
239.10683	1.4
249.07512	19.3
250.08006	1.1
251.09261	69.5
252.09589	3.4
263.05609	2.4
277.08624	4.9
278.09326	1.8
280.07462	3.1
281.08380	1.2
294.09021	1.4
295.09958	45.3
295.22781	2.5
296.10449	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	295.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00589	4.6
59.01381	78.0
63.93273	1.5
70.91148	1.5
71.01389	44.4
71.27562	2.1
72.99305	5.2
73.04233	1.5
78.95932	1.9
83.01411	2.6
85.02975	10.0
87.00893	2.9
89.02451	57.6
90.98581	2.3
95.01408	4.9
96.95998	4.7
100.63144	1.7
101.02446	29.6
104.78907	2.0
113.02455	21.6
119.03514	23.5
120.99671	2.3
123.00921	1.8
125.02450	4.6
126.98862	2.2
135.04549	3.1
143.06137	1.8
147.92996	1.6
161.04584	2.0
161.07231	6.8
169.01352	2.6
179.03455	2.1
180.06651	3.5
189.05623	5.7
194.89301	1.6
204.41597	1.5
207.02940	2.4
207.06932	3.4
210.76834	1.6
233.04639	3.4
277.08313	2.0
295.10388	100.0
296.10693	5.3
316.32303	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.4
58.02953	1.2
59.01360	1.9
68.99809	4.1
69.03429	1.4
71.05015	2.9
71.28131	1.2
71.28561	1.7
79.01888	3.3
81.03452	2.7
83.05014	2.4
85.06605	3.2
87.04511	7.3
93.03428	1.5
95.01411	2.4
95.05031	5.1
97.02964	2.9
99.89795	1.2
100.55080	1.3
106.04298	1.2
107.05033	1.1
109.02950	5.2
109.06600	4.5
111.04527	35.1
111.08170	6.1
119.05067	1.5
119.08694	1.4
121.02943	3.5
121.06615	2.3
122.03753	2.7
123.00881	2.8
123.04537	15.7
123.08151	3.0
125.02457	1.5
125.06091	11.8
135.00874	2.2
135.04639	1.5
135.85727	1.2
137.06090	11.2
137.09731	2.8
138.97415	1.1
139.03989	6.0
139.07657	2.1
145.02957	3.5
149.06125	6.1
149.09721	2.8
151.03940	1.1
161.09735	4.2
163.04033	1.7
163.07654	6.8
165.01942	2.8
165.05582	4.4
165.09242	1.4
167.03526	3.8
167.07159	1.8
177.09126	1.5
178.06367	2.3
179.07138	8.3
179.10774	6.9
181.05075	4.7
181.08734	2.4
187.07593	1.5
189.12877	3.4
190.99863	2.1
193.01469	4.7
193.05013	2.1
193.08702	59.9
194.09021	3.2
205.08698	5.6
206.02223	6.1
207.02997	2.7
207.06627	1.3
207.10362	1.5
223.07898	1.5
223.09778	8.8
225.07710	1.9
231.06737	1.5
233.08194	2.7
233.11792	4.2
236.10413	1.7
237.07635	3.1
249.07635	30.2
250.07867	1.8
251.09254	100.0
252.09605	5.7
277.08734	2.1
280.07382	3.9
295.09354	27.1
295.12262	7.0
295.19006	4.1
295.22464	1.4
296.10062	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	295.1188
Annotation	epi-5-Hydroperoxy-5,6-dihydro-6,13-dehydro-antheindurolide A
Peak:m/z	Relative Intensity
59.01365	3.6
65.56686	1.1
68.99817	1.1
69.12247	8.3
69.12565	2.0
81.03458	2.6
81.37507	1.2
83.01389	1.8
85.02934	3.8
85.06579	1.9
87.00863	1.2
87.04502	2.2
95.01373	1.3
95.04999	1.9
107.05034	1.9
109.02959	1.9
109.06584	10.7
111.00887	6.7
111.04520	100.0
111.08142	1.2
112.04842	3.3
113.06043	2.0
119.05054	1.2
122.03753	1.3
135.04509	1.5
136.05374	1.2
137.06041	3.0
139.07631	6.0
151.07663	4.7
155.07184	6.3
164.04832	2.0
164.08415	1.0
165.05530	2.8
166.36356	1.1
177.01791	1.4
179.07144	32.4
180.07512	1.2
181.05098	3.6
183.06645	2.1
192.07945	1.9
198.25885	0.9
208.07332	1.4
209.04546	4.7
223.06116	2.1
228.34796	1.0
233.11807	3.7
235.09750	17.2
251.12906	6.4
253.10847	5.1
267.09064	1.1
295.11856	46.7
296.12277	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	295.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12851	0.6
55.36200	0.7
56.69188	0.6
59.01362	2.0
63.02384	2.5
69.28707	3.7
71.05021	0.7
73.91139	0.7
78.56255	0.6
87.00876	1.1
87.04521	15.6
95.01385	2.8
96.02196	1.3
107.01378	2.0
108.02178	1.3
109.02965	6.0
111.00903	1.8
116.62264	0.7
124.01668	33.2
125.02473	7.1
135.00899	5.8
136.01637	1.1
137.02470	3.0
151.07698	1.4
152.01134	1.5
153.01955	9.4
179.07146	35.7
180.07512	1.1
207.06631	100.0
208.06940	5.0
223.06119	15.2
224.06485	0.8
226.19386	0.6
263.16534	0.6
295.11929	5.2
295.17654	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1189
Annotation	Leptin D
Peak:m/z	Relative Intensity
54.30316	1.0
57.25949	0.8
59.01386	20.3
61.70411	0.9
67.01885	1.9
67.05524	1.5
68.99811	2.8
69.15356	7.3
81.03450	2.5
83.01394	4.8
85.02947	4.1
85.06598	1.8
87.00896	1.3
87.04530	2.4
95.05009	3.5
105.03482	2.7
107.01318	1.0
107.08652	1.0
109.02952	1.1
109.06612	10.9
111.00893	12.3
111.04530	100.0
111.08176	2.6
113.06083	3.2
119.05043	1.3
124.39983	0.9
135.04515	2.7
136.05295	1.5
137.06070	2.4
139.07658	3.7
151.07646	5.0
155.07155	3.4
163.03996	1.8
164.04825	1.1
165.01997	1.5
165.05573	3.4
177.01953	4.2
177.05569	1.2
177.96446	1.0
179.07146	22.6
181.05054	8.2
183.06613	3.3
191.03447	1.0
192.07932	3.6
195.02963	1.8
195.06583	2.0
205.05046	1.7
207.03026	2.9
209.04515	5.9
210.05266	1.1
217.08701	4.3
217.96356	1.1
220.07463	3.4
223.06032	2.8
233.11823	3.8
235.09779	64.7
236.10107	3.2
251.12798	1.2
253.10857	15.6
295.11871	89.2
296.12238	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	295.1189
Annotation	Coriatin
Peak:m/z	Relative Intensity
56.77270	0.6
57.03448	4.1
59.01377	5.1
68.99806	0.6
69.03450	0.8
70.02132	0.6
71.28298	0.6
79.01878	1.5
81.03500	0.7
83.01389	0.8
83.05038	1.0
85.02954	1.8
85.06570	1.3
87.04494	2.6
93.03485	1.0
95.01351	0.6
95.05021	3.5
97.02934	1.0
97.06612	1.2
107.05008	0.8
109.02952	3.5
109.06602	1.8
111.00895	1.4
111.04530	12.2
111.08148	0.9
113.02469	3.6
119.08705	0.6
121.02937	1.4
121.06623	0.8
123.00848	0.7
123.04540	2.6
123.08159	1.7
124.01664	0.8
125.02446	2.2
135.00940	0.8
137.02441	2.7
138.03218	1.0
139.04015	1.8
139.07689	2.8
147.08182	1.8
151.03995	2.4
151.07739	1.3
153.01978	1.7
153.05566	0.8
154.02701	1.4
163.07661	2.1
165.01981	0.8
165.05557	4.4
165.09280	2.9
166.02679	2.0
166.06367	0.9
167.03448	0.8
175.04074	0.9
177.01935	1.7
177.05551	1.1
178.06328	1.5
179.07185	5.8
180.00607	1.2
181.01440	1.4
181.05081	1.7
181.08698	2.0
182.02197	5.6
183.06633	8.4
191.03453	0.8
191.07161	4.7
192.07860	1.4
193.01463	0.9
193.08716	3.3
194.05859	1.2
195.06573	4.3
205.05013	0.8
206.05815	0.7
206.09467	1.3
207.06633	9.5
208.07359	1.7
209.04543	1.1
209.08189	10.9
217.08739	0.6
219.06650	1.4
220.03802	1.2
220.07445	1.2
221.08203	8.4
222.05328	1.8
223.06122	2.5
224.06905	38.3
225.07555	2.2
233.11798	1.4
233.15553	0.9
234.08989	1.4
235.06129	6.3
235.09729	9.2
237.07681	6.8
247.40160	0.6
249.07657	4.9
249.11327	1.5
251.12947	0.7
251.16568	1.3
253.10854	1.8
262.08365	1.5
265.07321	1.1
267.08759	2.9
267.12314	1.0
277.10837	9.6
281.08057	1.1
295.11880	100.0
295.15317	5.2
296.12366	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	295.1188
Annotation	Coriatin
Peak:m/z	Relative Intensity
56.56327	0.4
57.03455	3.0
58.02975	0.9
59.01388	3.2
61.98808	0.6
69.03448	1.3
69.11931	4.3
71.01362	0.5
78.16291	0.6
79.05492	0.5
81.03471	0.8
85.02969	4.4
85.06590	1.6
87.04512	1.8
91.22340	0.5
95.01390	1.7
95.05027	3.1
97.02933	0.7
97.06589	2.2
109.02981	1.2
109.06570	0.7
111.04534	14.6
111.08173	0.9
113.02450	8.0
113.06068	1.7
120.05843	0.6
120.52159	0.6
121.02932	0.7
121.06580	2.1
122.03715	0.6
123.00902	0.5
123.04516	2.3
123.08171	1.4
124.01625	0.7
125.02451	4.5
125.06062	0.6
135.00932	0.7
137.06107	2.5
138.03200	0.9
139.03992	0.6
139.07642	4.1
141.05516	1.0
141.80560	0.5
147.04552	0.7
149.02469	0.6
149.06120	0.5
150.03233	1.4
151.00365	1.5
151.03995	1.0
151.07648	1.1
155.07114	1.6
163.07607	1.5
163.14948	0.5
165.05598	5.4
166.06346	1.7
167.03598	0.8
167.07111	0.6
177.01968	3.8
177.05508	4.4
178.06334	2.9
179.07127	3.1
181.05110	1.1
181.08635	2.4
183.06627	18.0
184.06912	1.0
191.07129	1.4
191.10765	1.9
192.07903	1.4
193.08728	3.9
194.05856	2.0
195.02875	0.8
195.06642	20.2
196.06995	0.9
198.05249	0.7
205.05084	0.8
205.08672	0.6
207.06573	3.5
207.10207	3.2
215.10696	0.6
219.06552	2.4
220.07394	6.3
221.08224	2.6
223.06065	2.8
225.07730	1.5
231.10191	0.6
233.11838	2.0
234.09018	1.2
235.09769	8.0
237.07695	6.3
249.11325	3.1
251.13004	1.3
253.10933	1.9
277.10809	14.4
278.11200	1.0
281.70120	0.5
295.11884	100.0
296.12262	6.6
307.90717	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1187
Annotation	Amotin
Peak:m/z	Relative Intensity
50.60655	0.8
55.01886	0.9
58.02977	3.4
59.01360	1.2
67.61987	0.8
68.99804	1.1
69.03442	1.0
69.40834	2.3
69.41244	3.1
73.02949	4.7
79.01919	1.3
80.40751	0.8
81.03470	1.5
81.84851	0.8
83.05029	4.4
85.02949	1.0
85.06587	2.7
87.04573	1.3
87.57558	0.8
93.03461	1.0
95.05035	1.6
96.96033	1.7
97.02956	1.7
97.06657	1.0
98.22508	1.2
107.05052	0.9
109.02969	2.4
111.04527	11.1
111.08182	1.2
116.93846	0.9
121.03017	1.0
122.03773	0.8
123.04536	0.9
123.08170	4.2
125.02491	2.1
125.06084	2.2
127.04066	0.8
137.02438	2.4
137.09705	3.9
138.03273	1.9
139.03995	4.0
139.07652	17.6
147.08183	1.1
149.06110	1.3
151.04022	3.4
151.07591	0.9
151.11279	1.5
152.01161	0.8
153.01855	1.8
154.02718	1.2
163.07663	2.9
165.01988	1.2
165.05580	1.0
165.09212	6.1
166.02715	2.7
167.03491	1.1
171.10266	2.4
176.04782	1.1
178.06334	1.3
179.07150	3.2
180.00626	1.9
181.01573	1.0
181.05077	1.4
181.08684	2.3
182.02200	4.9
183.06659	2.6
191.03423	0.8
191.07130	3.6
193.01544	1.1
193.05003	1.0
193.08702	1.9
195.06776	1.2
203.07211	1.4
206.09451	0.9
207.06616	5.4
207.13939	4.6
208.07278	1.2
209.08186	18.6
210.08672	1.6
221.08176	6.9
222.05370	3.2
223.06110	1.6
224.06905	41.1
225.07492	4.6
233.11748	1.1
235.06218	2.5
235.09717	1.5
237.07684	10.1
238.08337	1.0
249.07707	2.2
249.11325	2.3
251.12878	2.9
251.16600	3.1
262.08539	2.2
267.08783	1.5
277.10925	2.9
295.11914	100.0
295.15106	3.7
295.19052	3.1
296.12302	7.3
300.61713	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	6.3
57.03451	5.9
58.00601	4.5
59.01384	100.0
70.97539	2.1
71.01389	81.1
72.99315	4.0
73.02953	15.6
75.84935	1.2
77.99244	1.3
83.01396	8.6
85.02958	27.6
87.00897	3.4
87.04517	2.1
89.02456	56.7
90.02795	1.4
90.50278	1.3
92.41233	1.0
95.01398	6.9
95.33691	1.1
99.00887	6.6
101.02454	56.1
101.06102	2.6
113.02466	29.5
115.07690	1.8
119.03509	21.9
125.02473	1.7
126.98911	1.4
129.01945	1.4
131.03488	1.5
133.08719	11.4
143.03508	4.7
159.03020	5.2
161.04572	24.6
161.07242	2.9
179.05681	4.1
185.65723	1.4
205.03532	1.2
222.79669	1.1
230.38321	1.1
235.71013	1.0
295.07211	2.0
295.10394	26.7
295.14001	23.2
296.10739	1.9
296.14163	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	295.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30986	1.1
59.01381	100.0
69.28068	8.3
71.01377	2.9
82.79538	1.3
96.23081	1.2
113.02488	1.6
130.37595	1.3
133.09616	1.2
156.56534	1.2
156.99568	1.2
205.38055	1.3
235.11876	3.6
295.08032	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	295.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01840	1.7
51.73024	1.6
51.78126	1.4
54.70319	1.6
59.01384	100.0
70.16643	1.6
70.63449	2.2
71.01376	2.2
76.28649	1.6
86.22025	1.6
88.68195	1.4
96.95988	8.3
101.02448	2.5
121.02987	2.0
125.02519	1.6
131.07158	2.2
163.03998	2.5
207.10471	3.0
215.09221	1.9
221.08116	1.8
235.11865	3.0
277.11224	1.3
295.05038	2.4
295.08270	2.9
295.12491	6.7
302.37897	1.5
303.26343	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75685	0.2
54.78230	0.2
57.03442	0.7
57.92612	0.2
59.01382	10.0
59.31678	0.2
63.65383	0.2
69.17181	1.2
74.09003	0.2
75.27347	0.2
78.49006	0.2
78.78883	0.2
99.92584	0.2
111.04535	0.2
111.08179	1.5
113.09743	4.1
113.49720	0.2
125.09769	0.3
132.10258	0.2
133.64243	0.2
135.08208	1.3
137.06090	0.3
139.11317	0.3
141.04037	0.2
149.09695	1.2
151.07774	0.2
156.11172	0.2
166.06329	0.6
179.07149	10.8
180.07483	0.4
181.08716	18.4
181.12135	1.1
182.09103	0.8
183.13889	0.5
193.08705	23.0
194.09061	1.0
195.13844	0.4
207.10332	0.4
211.80786	0.2
213.14967	3.4
214.15285	0.3
219.06641	0.2
221.10016	0.2
221.11768	0.9
233.08304	0.3
235.13432	1.8
236.14204	2.2
237.14572	0.3
251.16533	50.4
252.16907	2.7
262.12177	0.5
277.14432	2.5
295.15515	100.0
296.15881	7.4
296.19296	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1553
Annotation	3beta-Hydroxy-5alpha-Hydroperoxycostic acid methyl ester
Peak:m/z	Relative Intensity
61.09060	0.3
69.20181	2.2
69.21451	0.3
71.30419	0.3
71.45673	0.3
72.51897	0.3
76.40992	0.3
91.38740	0.2
95.05056	0.3
98.22515	0.6
104.74075	0.3
108.82402	0.3
125.06079	0.6
151.07704	0.4
151.91801	0.3
161.06061	0.6
164.08279	0.3
165.09314	0.4
175.03992	0.4
179.07201	0.3
189.09180	0.4
190.02660	0.7
192.04472	0.4
193.01471	0.3
193.61638	0.3
203.03386	0.3
204.11513	0.6
205.05092	3.1
205.08717	1.1
206.02155	0.3
206.05531	0.4
209.08212	0.4
218.05862	1.4
219.13892	3.0
220.07401	4.0
220.10973	0.4
221.11742	0.5
223.09879	0.5
233.08202	79.9
234.08572	4.0
235.13243	0.5
237.07677	1.6
248.10556	98.4
249.07808	1.3
249.10899	5.3
251.09283	4.3
252.09866	0.6
263.12894	13.5
264.13229	1.2
295.15527	100.0
296.06918	2.6
296.15872	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	295.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97676	0.6
55.01843	0.7
58.02981	13.3
59.01362	0.6
59.02664	0.7
59.03295	2.4
65.67991	0.6
67.13129	0.6
69.23046	3.8
85.02940	0.7
85.06572	1.1
87.04493	1.6
95.05032	0.7
95.56911	0.6
109.06541	2.1
111.04530	3.5
111.08122	1.9
135.08163	5.5
136.08521	0.6
137.06012	0.8
137.09698	1.3
139.07596	2.3
153.12741	0.7
163.07620	0.6
165.05469	1.0
166.06027	0.6
173.26854	0.6
179.07153	62.9
179.10558	2.3
180.07559	3.4
181.08665	1.1
181.12296	2.1
183.06529	2.2
193.08572	1.1
207.06534	0.9
219.06651	3.8
223.09784	3.6
235.09619	1.2
235.13297	1.5
236.14098	17.2
237.14433	0.6
251.16536	64.3
252.17003	3.7
253.04724	0.7
262.12131	3.5
272.96072	0.6
277.14371	1.8
295.12344	3.7
295.15317	100.0
296.15659	5.6
302.61987	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94048	0.6
55.72954	0.6
57.03438	1.2
59.01380	1.7
69.07753	5.5
71.72778	0.7
90.67994	0.6
113.09739	1.8
177.12788	0.9
179.14424	1.1
183.86864	0.7
195.13911	20.0
277.21722	19.7
278.21921	1.4
295.22794	100.0
296.23169	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	295.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	0.6
58.11805	0.6
59.01391	0.9
68.99001	4.8
97.47816	0.5
98.22543	1.3
125.09711	0.7
139.11365	0.6
155.10658	0.8
171.10281	22.9
172.10629	1.1
172.39117	0.6
179.14473	0.7
183.10284	5.5
195.13934	9.3
220.30757	0.7
259.20612	0.6
266.76096	0.6
277.21744	39.1
278.22134	2.4
295.22800	100.0
296.23172	6.3
311.92902	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.228
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
58.96411	0.4
69.97369	0.4
71.04141	0.5
84.98515	0.4
101.76340	0.4
114.21227	0.5
182.27364	0.4
195.13931	0.7
196.04549	0.4
277.21802	1.8
295.22809	100.0
296.23175	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	295.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.7
69.03448	1.1
69.72550	2.2
69.72932	3.8
71.01395	1.3
82.53593	0.9
94.54767	1.0
111.08179	2.3
113.09747	2.3
135.11893	1.2
139.07684	1.0
142.82616	1.0
157.08717	71.2
158.09074	3.0
190.18007	1.0
195.13918	7.2
225.14970	2.2
249.22714	0.9
251.23152	2.0
277.21753	61.0
278.22198	5.3
279.11429	1.1
295.22803	100.0
296.23151	6.9
310.42059	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2281
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
55.89200	1.6
58.43264	1.4
59.01379	1.5
143.07164	10.7
161.02440	1.7
171.10266	27.5
172.10600	2.2
181.08444	1.5
193.47105	1.7
195.13887	3.9
250.98717	1.9
277.18774	2.5
277.21768	38.5
278.22134	3.9
295.22794	100.0
296.12927	2.1
296.17075	6.4
296.23120	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	295.2281
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
50.25144	0.6
53.85076	0.6
71.06411	1.1
76.64566	0.6
83.05030	0.7
94.07109	0.7
96.96029	0.6
97.96503	0.6
98.95611	1.8
99.84776	0.6
104.48184	0.7
122.76964	0.6
127.11286	1.0
141.12885	7.6
155.14464	4.7
223.13420	0.7
231.21268	0.8
247.20517	0.8
249.22255	7.8
277.21786	0.7
295.22803	100.0
296.23157	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0768
Annotation	3',7-Dimethoxy-3-hydroxyflavone
Peak:m/z	Relative Intensity
59.01373	0.4
62.52159	0.3
65.00317	0.5
71.29872	0.3
72.35684	0.5
77.03970	0.6
79.01900	0.9
85.43446	0.4
97.02952	0.5
108.02145	0.7
109.02901	0.3
117.03470	2.5
119.05045	0.4
119.25961	0.3
121.02953	1.5
125.09750	0.3
134.03726	0.5
135.00888	1.4
136.01633	0.7
137.02519	0.4
161.02457	2.6
163.00401	1.7
164.01204	0.8
165.01938	2.6
185.06046	0.9
186.03229	1.2
195.04512	0.4
198.06870	0.3
209.06119	0.8
210.06857	0.6
211.04015	0.6
213.01912	0.5
213.05551	0.8
223.03999	1.1
225.05553	1.8
226.06296	0.7
237.05608	0.5
238.06413	0.8
239.03468	1.5
244.63112	0.3
253.05121	6.5
254.05827	2.2
265.05020	0.4
279.19748	0.6
281.02155	0.5
281.04572	17.8
282.05347	100.0
283.05667	6.5
286.84106	0.3
297.07700	89.9
297.20630	1.6
298.08026	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	297.0771
Annotation	5,4'-DIMETHOXY-7-HYDROXYFLAVONE
Peak:m/z	Relative Intensity
79.01903	0.9
82.39159	0.5
85.76311	0.6
117.03448	5.1
121.02966	2.5
129.60446	0.5
135.00926	1.7
156.05835	0.6
161.02470	2.4
162.03183	1.1
163.00375	1.9
165.01965	2.9
168.90128	0.5
172.88605	0.6
185.06073	1.0
186.03226	1.2
213.05693	1.1
225.05615	1.8
226.06258	0.8
239.03490	1.1
247.34575	0.5
253.05066	6.1
254.05753	2.5
272.38934	0.5
281.04593	17.5
282.05362	100.0
283.05740	5.9
297.07712	89.8
297.20810	0.7
297.24191	1.0
298.08081	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
69.10757	1.6
70.04852	0.3
72.35669	0.3
73.94856	0.2
91.71639	0.2
107.21635	0.2
137.02417	0.5
145.02924	0.6
165.01958	0.5
170.95569	0.3
180.05826	0.4
181.06561	0.9
183.04478	0.5
195.04475	0.3
196.05203	0.4
197.06056	1.9
198.06795	0.6
200.04750	1.0
208.05263	1.2
209.06094	4.0
211.03990	1.1
212.04758	0.3
225.05569	5.1
226.06345	7.1
227.06712	0.5
237.05600	1.4
239.03499	2.4
253.05086	7.1
254.05803	6.3
255.06352	0.5
265.04980	1.3
267.03027	0.6
281.04584	4.0
282.05341	100.0
283.02545	0.3
283.05704	7.2
297.07693	52.0
298.08054	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	297.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59753	0.9
57.83330	0.8
59.01423	0.9
60.58072	0.9
69.60297	3.8
79.01888	4.3
80.72993	1.0
91.05542	1.5
95.01413	1.1
108.02189	10.1
111.04509	2.0
117.03469	23.3
125.09753	1.1
135.04547	5.9
136.01675	100.0
137.02473	28.9
146.03738	2.9
149.06090	2.5
151.04031	1.7
161.02475	4.0
161.06056	1.9
162.03320	1.0
177.05611	4.7
179.03534	4.7
183.52599	1.0
185.74567	0.9
209.09827	1.1
214.08833	1.0
225.09279	1.5
238.06406	1.4
239.03545	1.3
253.08780	2.4
253.18144	1.3
255.06667	3.3
282.05368	4.0
282.08459	1.2
297.07715	89.8
297.16968	3.7
297.20532	1.2
297.24393	1.7
298.08121	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	297.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91216	0.2
57.03595	0.2
62.63846	0.2
63.02414	0.3
64.05000	0.3
65.00322	1.2
66.48379	0.2
69.10415	1.4
69.10821	0.4
83.01402	0.9
89.93821	0.2
91.05575	0.3
93.03473	0.3
103.05553	1.0
105.03451	1.0
107.01411	2.8
109.03006	0.3
118.26723	0.2
119.05021	1.1
121.02988	1.6
123.04549	1.9
132.02179	0.2
135.04576	0.3
147.04533	6.3
148.05029	0.3
149.02464	3.3
151.00377	9.9
152.00673	0.3
159.04584	0.3
161.02420	0.6
161.06110	1.2
163.04053	0.3
190.02740	2.8
191.03514	100.0
192.03851	3.9
225.09186	0.2
236.08606	0.3
237.09216	0.5
239.07089	0.2
253.08681	0.6
264.08035	0.3
265.08734	1.2
267.06647	0.4
279.16235	0.3
281.08200	2.8
282.08981	12.1
283.09311	0.7
283.97513	0.2
297.04276	0.3
297.07727	5.6
297.11362	12.9
298.08215	0.4
298.11688	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1134
Annotation	Callosinin
Peak:m/z	Relative Intensity
50.62611	0.3
55.51792	0.3
57.01910	0.3
69.43617	0.3
69.68646	1.3
72.36610	0.4
77.79156	0.3
93.03468	3.1
108.02168	1.7
109.02970	1.7
117.22227	0.3
121.02972	12.3
122.03780	0.3
124.23482	0.3
133.06627	1.7
135.04573	0.6
140.79539	0.3
144.86169	0.4
145.02933	0.4
146.03740	1.0
148.05350	1.9
159.04520	2.9
160.05269	1.4
161.06097	9.4
173.06059	1.6
174.03265	0.5
185.06157	0.4
197.40109	0.3
205.51994	0.3
209.06111	0.3
209.09723	1.0
211.07675	1.3
212.04785	0.4
213.05536	1.6
221.06046	0.3
223.07990	0.4
224.04808	0.9
225.09218	2.8
235.07614	1.4
236.08415	1.1
237.09209	3.1
238.06432	0.4
239.03537	0.4
239.07176	1.3
240.04219	1.3
241.05080	3.8
241.08636	0.4
249.05569	0.4
253.04956	0.5
253.08676	3.4
254.09390	1.1
255.06657	0.6
256.07281	0.7
263.07129	1.5
264.07892	4.0
265.08698	10.2
266.09308	1.2
267.06519	2.2
280.07452	0.4
281.08206	22.6
282.08969	88.4
283.09308	5.0
297.11325	100.0
298.11658	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	297.1134
Annotation	Callosinin
Peak:m/z	Relative Intensity
52.95184	0.4
56.09973	0.4
59.01393	0.4
69.58729	1.3
71.65715	0.5
72.36605	0.7
93.03461	3.1
98.21864	0.8
101.96526	0.4
108.02189	1.9
108.15330	0.4
109.02966	1.8
109.80364	0.4
115.07660	0.9
121.02963	9.8
122.03754	0.6
123.08198	1.2
125.09765	1.0
127.07647	0.7
133.06587	1.4
134.03772	0.6
135.04521	0.6
146.03752	0.9
148.05299	1.8
149.06149	0.6
159.04541	2.3
160.05222	1.4
161.06085	8.1
162.06767	0.5
169.08736	0.7
170.46582	0.4
173.02455	0.5
173.06061	1.5
187.09842	0.5
197.06039	0.6
199.09702	0.5
201.11418	0.9
209.09778	0.7
211.07649	1.0
225.05576	0.8
225.09235	3.4
235.07545	1.0
236.08397	1.4
237.09143	3.2
239.07161	2.4
241.05086	1.2
241.08858	0.6
246.92345	0.5
249.05457	0.4
251.07181	0.5
253.04929	0.8
253.08690	3.0
254.09425	1.7
263.07166	1.0
264.07843	3.2
265.05661	0.6
265.08694	9.5
266.05948	0.9
266.09317	2.0
267.06577	2.6
269.04562	0.7
279.16003	0.8
281.08185	21.5
282.08966	98.1
283.09256	6.5
297.11316	100.0
298.11691	7.7
298.17151	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1134
Annotation	Ligballinol
Peak:m/z	Relative Intensity
55.00051	0.6
59.01383	0.9
63.02077	0.8
63.02412	0.7
65.27584	0.6
69.00037	5.3
69.00457	1.5
91.05559	0.8
93.03469	15.6
98.22555	1.4
107.05034	3.2
108.02191	1.4
109.02972	8.1
110.03366	0.7
110.75045	0.7
111.04452	0.7
117.03484	1.8
121.02969	100.0
122.03315	2.9
133.06619	0.8
134.03734	2.5
135.04536	52.2
136.04866	1.8
145.02959	2.1
146.03714	0.8
149.06110	4.2
151.07684	2.2
159.04530	0.9
161.02376	0.8
161.06137	4.0
165.01982	1.0
173.06104	0.8
174.06870	0.9
175.07643	24.3
176.07967	0.9
185.02423	0.8
187.07698	1.1
188.08400	2.5
189.09329	0.8
189.41714	0.6
209.10143	0.7
224.10155	0.7
225.05574	1.2
237.09506	0.8
239.03427	0.9
251.10649	0.9
253.05058	2.7
254.05829	2.7
255.03014	36.0
264.07785	0.9
265.08505	0.8
269.04596	1.0
270.05359	2.4
279.10187	3.5
281.04648	6.6
281.08163	2.9
282.05392	38.7
282.08966	12.4
283.02573	9.2
283.05789	1.8
283.09103	0.7
297.04321	1.9
297.07742	39.8
297.11383	72.5
297.20718	2.9
298.04892	25.1
298.08136	2.6
298.11655	4.6
304.08786	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.9
57.03430	2.9
58.00603	4.3
59.01381	100.0
60.01714	1.1
69.03431	1.0
69.28821	5.6
71.01384	67.0
72.99301	4.0
73.02573	1.1
73.02944	12.0
75.00880	4.2
77.98840	0.9
81.03458	1.4
83.01392	6.0
85.02953	22.6
87.00892	5.0
87.04506	2.5
87.77053	1.0
89.02448	71.2
95.01392	4.5
96.96017	2.6
99.00864	3.7
101.02451	44.7
103.04017	1.8
113.02457	27.1
114.02754	1.1
116.07087	1.1
117.01913	1.0
117.05539	4.1
118.21679	0.9
119.02687	1.8
119.03506	32.4
125.02460	1.3
126.59117	0.9
131.03496	3.7
135.02924	1.1
135.06647	37.9
143.03482	5.1
149.04579	2.5
159.02995	2.2
161.04573	19.1
179.05630	15.1
181.15865	0.9
212.30150	0.9
237.06068	1.4
237.09694	1.1
297.08252	8.7
297.11847	44.3
298.12173	1.8
300.92017	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1194
Annotation	3-O-(alpha-L-rhamnopyranosyl)-D-ribitol
Peak:m/z	Relative Intensity
59.01093	5.0
59.01384	100.0
61.81749	2.8
62.52296	2.3
70.31755	8.1
71.01382	38.7
73.02946	8.8
79.93204	2.2
79.95279	2.4
82.62424	2.4
85.02941	10.9
87.53370	2.3
89.02449	36.9
95.01435	3.0
98.81937	2.5
101.02454	27.2
113.02442	14.6
119.03495	17.1
131.03627	2.5
135.06631	14.9
159.03154	2.5
161.04555	13.2
169.66628	3.2
179.05598	7.7
237.09908	13.6
297.11929	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1343
Annotation	Oligandrumin C
Peak:m/z	Relative Intensity
55.01886	1.5
57.03448	1.6
59.01384	0.7
69.03450	1.3
71.01389	1.6
73.02952	100.0
73.07049	0.6
82.53285	0.5
95.01376	0.7
95.05049	3.5
97.02966	2.0
98.03749	3.6
108.02208	1.3
109.02982	0.9
111.04557	0.6
111.08170	0.6
113.06121	2.1
117.01961	0.9
123.08145	0.6
125.99632	0.5
126.56327	0.5
135.08182	2.0
137.02477	1.2
137.09778	0.9
139.07683	1.3
147.11754	0.9
152.01134	0.7
152.80264	0.5
153.01917	1.0
161.09839	0.6
163.11314	0.9
165.12837	0.6
169.01358	0.8
173.13425	1.2
179.10805	7.4
188.28685	0.6
191.10809	3.9
191.14389	3.2
193.08618	0.5
209.11952	0.6
209.15474	8.2
217.12350	0.6
235.09779	1.1
235.13411	8.1
253.14455	24.3
254.14764	1.4
267.06702	0.8
269.04749	0.7
273.92084	0.6
279.12283	0.5
297.03812	0.9
297.13492	23.3
297.16757	1.2
298.13824	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1709
Annotation	15-keto-2,3,4,5-tetranor-PGF2alpha
Peak:m/z	Relative Intensity
57.03447	6.8
59.01382	24.5
63.08073	1.7
69.03456	2.1
69.68056	1.8
71.01382	9.3
71.05017	3.2
72.02169	2.0
81.03461	5.5
83.05026	25.4
84.02169	7.1
85.02943	2.7
88.04032	3.4
95.05017	6.1
97.02932	1.8
97.06599	15.5
98.22507	5.9
99.04495	3.6
99.08165	7.2
102.30096	1.7
109.06618	10.7
111.08148	2.5
113.09731	4.6
115.07652	4.7
119.08684	1.8
123.04542	1.7
123.08131	3.4
125.06051	2.4
125.09721	3.9
127.07674	20.2
135.08192	13.5
136.01656	2.8
137.02461	17.8
137.09697	4.3
139.07645	10.4
143.07133	13.9
145.02982	2.1
151.07713	3.3
152.04811	1.9
153.05562	6.1
153.09216	16.5
155.10887	2.0
157.08714	28.8
163.07623	4.4
163.11333	3.1
165.09094	1.9
169.08696	30.8
178.09950	5.9
181.08716	74.3
181.12267	11.0
182.09073	3.3
190.51753	2.1
191.14388	6.1
207.13870	4.2
208.05405	2.5
208.07407	5.0
209.06078	5.6
209.08035	2.4
209.11795	4.0
209.15474	5.8
210.08990	36.6
211.04121	2.4
211.09435	2.1
211.13145	1.7
217.15953	17.6
225.05602	10.5
226.06340	30.2
228.10030	7.2
235.17018	9.8
237.05559	20.2
238.06261	4.3
251.16516	2.6
253.04994	14.4
253.14453	4.9
254.05792	18.3
255.06204	2.2
261.14957	9.5
265.05075	13.5
266.05844	68.4
267.06531	15.5
268.07117	2.3
279.16022	100.0
280.16351	7.0
281.04462	11.4
282.05316	43.7
283.05750	2.9
297.07684	42.4
297.13455	17.7
297.17093	47.1
297.24185	12.9
298.07990	3.3
298.17377	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	297.2073
Annotation	Plakortic acid
Peak:m/z	Relative Intensity
51.54744	1.6
56.10266	1.8
57.03450	1.7
61.98835	2.0
69.06931	14.7
94.33188	2.0
95.28100	1.8
133.11374	1.7
149.00990	14.4
183.01242	9.3
197.02748	2.6
235.20685	47.2
236.21057	3.1
238.10291	1.8
253.21828	7.0
264.98529	8.4
279.19678	21.5
297.04761	14.6
297.11816	2.9
297.15768	13.9
297.20807	100.0
297.24261	5.4
298.04874	3.1
298.21146	8.1
299.02686	3.8
315.05865	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	297.2436
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
50.49485	0.3
51.01819	0.4
57.43696	0.3
57.78386	0.4
57.82283	0.3
65.86043	0.3
70.71343	0.4
71.28478	0.7
109.19975	0.4
149.22754	0.5
161.77530	0.4
251.23796	1.4
279.23248	1.1
282.05392	0.4
295.22830	1.4
297.24365	100.0
298.24731	7.4
319.12991	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2437
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
51.31847	0.6
55.43906	0.5
58.20588	0.6
61.75145	0.6
78.70738	0.5
82.29657	0.6
82.72318	0.6
84.21412	0.6
84.85571	0.6
104.30020	0.6
127.11321	0.8
157.08707	9.9
169.12355	2.2
174.05167	0.6
183.01186	4.1
233.66785	0.6
261.22211	1.3
267.06964	0.7
279.23334	16.4
280.23636	1.0
295.22870	1.2
297.15292	10.3
297.24362	100.0
298.24786	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	297.2437
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
59.01365	0.4
64.88861	0.3
69.33675	1.1
69.34099	1.1
70.61129	0.3
75.40684	0.4
119.19199	0.3
122.92658	0.3
125.09731	0.4
127.11290	1.1
141.12842	0.9
147.90062	0.4
155.10768	3.8
160.97215	0.3
171.10268	6.2
183.01193	0.9
197.06018	0.3
213.05324	0.3
251.23947	0.4
253.05063	0.6
261.22122	0.4
279.23285	9.6
280.23563	0.8
282.05438	0.4
295.22888	0.9
297.04068	2.8
297.07394	0.8
297.24356	100.0
298.04617	0.5
298.24716	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	297.2438
Annotation	2-Oxooctadecanoic acid
Peak:m/z	Relative Intensity
51.34646	4.4
54.20594	4.1
56.22348	4.1
69.72509	9.2
69.72901	10.5
99.57422	4.3
99.66159	4.3
134.96593	3.9
145.64841	3.9
183.01285	28.3
184.02116	5.2
187.17282	4.2
198.64589	4.3
225.22363	5.2
251.23816	16.0
253.25386	100.0
254.25703	8.4
261.25610	4.7
297.15283	52.0
297.24387	78.7
298.15576	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	298.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76923	1.4
57.03448	5.4
59.01369	2.7
69.49000	8.8
71.05019	1.9
73.24035	1.6
79.01908	2.5
83.05033	5.9
97.06590	4.8
103.86116	1.8
107.85894	1.8
109.06651	3.5
111.04558	2.7
111.08159	27.4
111.33948	1.5
119.05026	4.9
123.08160	4.5
124.08485	2.0
125.09740	27.7
134.03764	8.0
135.04559	4.5
137.02457	7.9
149.02411	2.1
157.08698	6.8
159.10339	2.0
162.03224	9.8
163.04036	4.8
171.10251	4.3
173.11632	2.0
179.03604	4.2
213.05547	2.8
219.95787	1.8
241.05095	6.9
255.06702	3.6
265.05038	2.5
266.05786	3.2
267.06564	4.9
269.04541	11.0
271.02509	6.2
280.12680	8.8
283.06161	16.9
284.03427	4.8
284.06882	31.4
298.08105	13.3
298.11420	3.4
299.02411	8.0
299.05939	3.8
299.09232	100.0
299.18707	21.8
299.22025	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0201
Annotation	Isodemethylwedelolactone
Peak:m/z	Relative Intensity
59.01373	1.8
63.02402	5.9
65.00320	3.9
69.28285	2.7
70.84756	0.4
71.12902	0.4
72.99277	0.4
83.01410	2.1
89.00320	0.6
91.01899	0.8
107.01404	6.3
109.02959	6.1
115.05566	1.2
119.01442	0.8
119.05025	0.7
123.00923	0.5
131.05055	0.9
133.02982	10.2
133.04012	0.5
134.03754	1.3
135.00906	1.4
139.04112	0.4
143.05038	4.7
145.02951	1.6
147.00879	1.6
147.04549	1.2
148.01651	1.0
149.02452	1.1
151.00378	6.4
154.04332	0.6
155.05014	1.3
155.10770	0.7
157.02971	3.4
159.04485	0.9
161.02495	1.0
163.04070	0.7
169.01352	0.7
169.02847	0.8
170.03784	0.6
171.04526	8.8
172.05022	0.5
173.02451	2.8
174.99258	0.5
175.04036	4.7
182.03699	1.3
183.04448	1.4
185.02385	0.8
187.04034	4.9
189.05580	0.6
197.02473	1.8
198.03214	2.7
199.04015	17.5
200.04529	1.5
201.01955	5.3
203.03513	1.4
211.03955	0.9
213.01932	0.8
214.02657	0.9
215.03510	6.8
217.00316	1.6
223.57828	0.4
225.01875	0.8
226.02783	3.2
227.03525	9.4
241.01346	1.2
242.02280	2.4
242.99292	0.5
243.03020	8.6
255.03012	3.3
256.03754	6.2
267.06799	0.6
271.02499	88.7
272.02863	5.9
282.01584	1.3
283.02426	0.5
283.06079	0.6
284.03290	69.0
285.03592	3.0
299.01981	100.0
299.05600	35.4
299.09198	3.7
299.18719	1.6
299.99176	0.9
300.02405	6.7
300.05948	1.9
300.09418	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0199
Annotation	Isodemethylwedelolactone
Peak:m/z	Relative Intensity
59.01345	1.1
63.02405	4.0
65.00320	2.7
68.83372	0.4
68.90492	0.4
69.03410	0.4
71.12833	0.5
71.29202	0.6
77.08389	0.6
83.01353	1.6
88.94642	0.4
91.01861	0.7
92.31665	0.5
93.03425	0.9
97.06570	0.7
101.03990	0.5
107.01407	3.6
109.02972	4.5
115.05533	1.1
117.03326	0.6
123.00809	0.6
133.02965	8.2
135.00899	1.3
136.01669	2.2
137.02451	4.9
142.42250	0.4
143.05009	4.2
143.07126	0.5
145.02921	1.3
147.00847	1.3
147.04489	1.3
151.00365	3.5
155.05019	2.0
157.02994	2.4
159.04456	0.9
161.02444	1.1
163.03972	0.6
169.03029	0.6
170.03709	0.6
171.04535	7.5
173.02408	2.1
174.03270	0.5
174.99243	0.6
175.04031	6.7
182.03770	1.1
183.04491	2.0
185.02432	0.6
185.06021	0.7
187.04004	3.9
189.05505	0.8
197.02487	1.5
198.03162	2.5
199.04022	18.5
200.04344	0.7
201.01952	7.4
203.03499	1.1
211.03966	0.8
212.04681	0.8
213.01971	1.4
213.05576	2.7
214.02701	0.9
215.00098	0.7
215.03525	6.8
217.00165	1.0
225.01979	0.9
226.02768	2.8
227.03537	8.7
228.03996	0.5
229.01254	0.6
241.01334	0.6
242.02107	1.7
242.99306	0.7
243.02988	9.2
244.03371	0.5
255.03012	2.8
255.06679	2.4
271.02496	81.4
272.02866	4.5
282.01678	1.0
283.99872	1.0
284.03156	0.5
299.02008	100.0
299.05518	7.3
299.18698	2.2
299.99057	2.0
300.02448	6.3
324.72797	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0199
Annotation	Isodemethylwedelolactone
Peak:m/z	Relative Intensity
50.07618	0.5
50.40543	0.4
53.73359	0.5
54.74534	0.4
59.01370	2.5
60.15335	0.5
63.02394	4.3
65.00330	3.4
69.91627	1.5
71.12875	0.8
83.01398	1.3
93.03452	0.8
95.01393	0.7
95.05074	0.8
97.06599	2.2
107.01397	3.9
109.02953	5.1
115.05566	1.4
117.03474	1.0
119.01398	0.6
121.02964	0.6
133.02966	8.1
133.88875	0.5
135.00899	1.3
135.59787	0.5
140.14165	0.5
141.09267	1.2
143.05048	4.1
145.02988	1.3
147.00890	0.9
147.04562	1.2
151.00395	3.8
155.05028	1.8
157.02945	2.3
159.04477	0.7
161.02454	1.0
169.01527	0.6
169.02943	1.1
171.04536	7.5
173.02452	1.7
173.11885	0.8
175.03973	4.4
182.03693	0.8
183.04514	1.8
185.02420	1.0
185.08217	1.8
187.00322	0.8
187.04041	3.7
189.05608	0.6
197.02443	2.1
198.03297	2.4
199.02142	0.8
199.04013	15.5
201.01964	4.5
203.03488	1.2
211.13426	2.0
213.02109	1.0
214.02795	1.0
215.03505	6.7
217.00261	2.4
225.02002	0.5
226.02734	3.3
227.03497	5.8
242.02185	2.4
242.99266	0.9
243.02988	7.6
255.02982	2.5
255.19745	1.3
271.02490	76.1
272.02771	4.9
275.11459	0.5
281.17386	0.7
282.01733	0.9
284.03482	0.7
299.01987	100.0
299.15140	1.4
299.18707	5.0
299.99109	1.7
300.02402	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	299.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27131	0.3
63.02394	2.1
65.00320	0.9
68.51861	0.3
72.85191	0.5
74.36822	0.3
82.36895	0.3
83.01405	1.9
98.22626	0.6
106.62034	0.3
107.01390	3.9
108.02190	0.6
109.02941	0.4
121.00022	0.3
121.02970	0.7
126.22350	0.3
130.04089	0.3
133.02972	1.1
134.03746	4.0
136.01758	0.4
137.02461	1.9
143.07156	0.7
148.01721	0.8
149.02502	0.8
149.99591	0.8
150.03223	0.5
151.00371	4.4
158.94806	0.3
161.02469	0.9
161.03757	0.3
162.03230	3.8
163.04005	0.8
175.03975	0.6
176.04790	0.9
183.04539	0.9
184.05446	0.5
187.04037	0.6
188.04668	0.4
195.04683	0.4
199.04022	1.6
200.04770	1.1
203.90364	0.3
211.04016	1.4
212.04845	0.6
213.05553	0.7
215.03539	0.4
227.03563	3.5
228.04091	0.9
239.03490	0.9
239.07120	0.5
241.05093	1.5
255.02985	2.2
255.06621	0.8
256.03784	6.3
265.05054	0.4
266.05933	0.7
267.06653	1.8
268.07309	0.4
269.04575	3.4
271.02454	1.6
282.05142	0.3
283.02536	1.0
283.06168	4.6
284.03299	100.0
284.06818	9.8
285.03619	5.5
285.06870	0.4
285.41458	0.3
299.05646	47.0
299.09271	25.5
299.12741	1.0
299.18631	0.9
300.05975	2.8
300.09650	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.4
57.99625	0.4
59.01371	1.3
60.72321	0.4
61.14004	0.3
65.03967	0.4
69.51276	0.9
69.51675	1.0
71.01378	2.1
73.02925	0.6
85.02965	1.1
93.03463	64.7
94.03786	1.5
101.02459	0.8
108.02234	0.6
113.02437	1.1
137.02454	100.0
138.02788	2.8
163.40736	0.4
167.03471	0.6
192.04810	0.4
240.50800	0.4
299.07758	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0775
Annotation	Pseudolaroside A
Peak:m/z	Relative Intensity
59.01377	0.4
60.76871	0.3
71.01385	2.5
71.27187	0.5
72.99319	1.1
73.02946	0.4
78.95918	4.0
81.25484	0.3
83.01414	0.4
85.02956	1.5
86.15051	0.4
87.00906	0.4
88.98811	1.8
93.03465	71.1
94.03817	1.6
95.01380	0.5
96.96983	0.6
99.00894	0.3
101.02470	0.8
102.70153	0.3
108.02187	1.4
113.02452	0.7
117.43539	0.3
128.96814	2.1
133.01469	0.6
136.94011	0.7
136.95018	0.9
137.02454	100.0
138.02791	2.5
152.01212	0.5
161.04532	0.4
167.03569	0.3
171.00661	0.4
200.95233	0.8
208.93462	3.4
211.06165	0.6
226.13486	0.3
227.03593	0.4
299.07864	1.5
299.99200	0.4
300.04965	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0774
Annotation	4-(beta-D-Glucosyloxy)benzoate
Peak:m/z	Relative Intensity
59.01370	0.7
69.48626	1.0
69.49032	1.1
71.01398	2.7
73.02960	0.7
80.28825	0.3
85.02960	1.0
89.02423	0.6
89.39573	0.4
93.03463	68.9
94.03815	1.8
101.02435	0.9
113.02479	1.0
137.02452	100.0
138.01840	0.5
138.02769	2.5
161.04530	0.6
266.14960	0.4
273.02457	0.4
299.07730	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0929
Annotation	Dehydromelanoxin
Peak:m/z	Relative Intensity
61.74051	0.3
62.33546	0.3
69.58403	1.1
72.86105	0.3
75.98587	0.3
77.52510	0.3
79.37009	0.3
81.73624	0.3
82.11937	0.3
84.15342	0.4
94.90056	0.3
98.22499	0.5
108.02170	0.5
109.02956	0.9
114.09378	0.3
121.02956	1.5
122.03725	0.4
133.02943	0.8
134.03749	8.4
136.01643	1.1
137.02461	5.4
145.02959	0.5
148.05334	0.8
149.02440	3.0
149.06093	0.8
150.03249	3.2
158.53474	0.4
161.02492	2.4
162.03239	15.2
163.04019	4.3
165.01918	0.4
172.05258	0.3
173.06091	0.8
174.43376	0.3
175.04060	2.3
176.04803	4.9
182.02266	1.6
188.04720	0.6
199.03990	0.4
200.04779	0.5
211.07657	0.4
212.04797	0.3
213.05643	2.4
214.06021	0.5
223.03963	0.3
227.07149	1.3
228.07744	0.4
237.05585	0.8
238.06293	1.0
239.07114	1.7
240.04266	0.7
241.05098	4.8
254.05771	0.9
255.06650	3.5
256.07379	1.6
265.05145	2.2
266.05881	3.4
267.06647	6.8
268.07196	1.1
269.04556	12.9
269.30698	0.4
270.04865	0.8
271.02515	0.9
282.05527	0.8
283.02963	0.4
283.06143	16.9
284.06918	35.1
285.07263	2.3
285.10257	0.3
299.09262	100.0
300.09616	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58646	0.5
58.64385	0.5
59.01378	1.0
63.02386	0.6
65.00338	0.6
70.58946	1.1
72.92928	0.5
74.41566	0.5
76.34366	0.5
78.82147	0.4
83.89554	0.4
84.57806	0.4
85.00475	0.5
93.03433	0.8
97.06636	0.4
109.02968	1.3
113.06109	0.6
121.02942	2.1
125.09723	3.4
133.02979	2.9
134.03758	7.7
135.04468	0.5
136.01663	0.7
136.05276	0.6
137.02457	5.0
138.94312	0.4
143.04991	0.5
145.02934	0.5
147.04517	0.6
148.05284	0.5
149.02457	2.8
149.06044	0.8
150.03262	2.7
157.08676	0.5
159.10242	0.5
160.99565	0.4
161.02402	2.3
162.01949	0.9
162.03239	13.1
162.04578	0.7
163.04021	3.0
165.02003	0.9
171.04471	0.7
175.03963	2.0
175.48747	0.5
176.04742	3.9
177.01981	0.5
182.02223	1.2
187.04037	0.8
187.09767	1.9
197.06049	0.9
198.03198	0.5
199.03993	1.4
201.02003	0.8
211.07559	0.7
213.05664	3.0
215.03424	0.6
217.00273	1.8
226.02731	0.6
227.03500	1.0
227.07056	1.5
228.07726	0.6
237.05679	0.6
238.06386	1.0
239.07069	1.6
240.04285	1.2
241.05092	4.5
242.05560	0.7
243.02960	0.8
255.06699	2.6
256.07431	1.2
265.05139	3.1
266.05905	2.9
267.06619	6.2
268.07269	0.6
269.04532	11.4
270.04861	0.7
270.99225	0.9
271.02472	8.2
273.24966	0.6
281.17603	0.6
282.05252	0.9
283.06122	15.1
284.00104	2.2
284.06897	33.8
285.04425	0.5
285.07166	2.2
299.02383	13.4
299.05692	7.6
299.09213	100.0
299.18188	2.4
299.99173	0.6
300.02408	1.2
300.06036	0.9
300.09515	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	299.0929
Annotation	CHEBI:70653
Peak:m/z	Relative Intensity
55.01879	1.1
56.84313	0.9
59.01389	6.1
61.42241	0.9
67.47757	1.0
69.26313	5.9
79.01902	27.4
86.37366	1.0
91.05541	6.6
91.37904	1.0
93.03477	9.9
98.22626	1.0
100.20634	0.9
107.05056	1.6
111.04547	10.5
119.05038	74.6
120.05403	1.8
123.04526	1.3
127.33791	1.1
135.04535	32.4
143.25943	1.0
145.02960	2.4
151.00424	1.1
151.04037	6.5
152.61295	1.0
165.05608	2.3
171.04604	1.1
173.11847	2.2
174.99294	1.3
179.03523	49.1
187.04060	1.4
193.05089	6.2
197.04611	4.3
199.07622	1.7
205.05107	6.9
205.31792	1.1
209.73871	0.9
217.00391	4.8
229.08859	1.4
237.10661	1.0
246.27943	1.0
270.99249	1.4
271.02374	6.0
298.98572	2.5
299.01993	8.6
299.09271	100.0
299.18500	2.6
299.99008	1.1
300.09552	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	299.0927
Annotation	Plicatol A
Peak:m/z	Relative Intensity
57.03440	0.5
69.59500	1.3
69.59908	0.6
82.62923	0.4
85.89787	0.4
98.22591	0.6
108.02197	0.5
109.02934	0.7
111.08150	0.8
117.50223	0.4
119.05004	0.5
121.02964	1.4
122.03711	0.6
125.09754	1.0
127.07660	0.6
133.02890	0.6
134.03752	8.1
135.04541	0.7
136.01654	0.6
137.02443	6.6
147.62143	0.4
148.05280	0.8
149.02481	2.7
149.06067	0.6
150.03287	2.7
160.05258	0.5
161.02432	1.8
162.03236	13.5
163.03996	3.1
172.05350	0.4
173.06120	0.6
175.03984	1.2
176.04791	4.7
179.03427	0.5
182.02248	1.2
185.11827	5.3
188.04718	0.5
197.06117	0.6
200.04810	0.4
210.45193	0.4
212.04669	0.5
213.05551	3.4
215.03575	0.4
224.04852	0.4
225.05597	0.5
227.07104	1.2
228.07916	0.5
237.05560	0.6
238.06355	1.2
239.07100	1.7
240.04237	0.7
241.05084	5.0
245.65332	0.4
255.06685	3.1
256.07370	1.3
265.05069	2.4
266.05881	3.4
267.06653	6.9
268.07309	0.5
269.04550	11.6
270.04852	0.7
282.05472	0.8
283.02936	0.8
283.06110	15.6
284.03500	1.8
284.06885	36.2
285.07227	2.6
299.09253	100.0
299.22021	2.4
300.09595	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	299.0927
Annotation	(2R.3R)-3-Hydroxy-5,7-dimethoxyflavanone
Peak:m/z	Relative Intensity
50.08701	0.3
54.46004	0.3
59.01380	0.3
60.92919	0.3
64.39388	0.3
65.00322	0.4
68.13211	0.3
68.92276	0.3
69.77594	0.6
69.77995	1.5
79.01900	8.7
80.02158	0.3
93.03468	15.0
93.18752	0.3
99.00964	0.4
103.01856	0.5
105.03460	2.6
108.02189	1.0
109.36388	0.4
111.04534	6.3
119.05038	100.0
120.05366	2.5
121.02980	1.2
122.03806	0.5
125.09717	0.3
126.57884	0.3
128.19604	0.3
134.03755	1.3
135.00859	0.6
135.04556	3.2
136.01677	7.2
137.02438	1.2
141.09241	0.4
145.02960	1.7
149.02422	0.5
150.03204	1.3
160.53526	0.4
162.03232	2.4
164.01164	14.3
165.01811	0.6
170.50510	0.4
176.04817	0.7
178.02757	1.0
179.03513	48.8
180.03912	2.1
182.02199	0.6
193.05096	1.1
197.04549	0.5
205.05084	1.6
208.81120	0.3
210.01714	0.9
238.06418	0.4
241.05057	0.9
265.05173	0.5
266.05899	0.6
267.06714	0.9
269.04550	1.6
271.02551	0.6
283.06055	3.1
284.06766	7.0
295.75827	0.4
299.09265	58.9
300.09604	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	299.1136
Annotation	Salidroside
Peak:m/z	Relative Intensity
55.01871	1.5
57.03441	2.3
58.00588	4.9
59.01381	100.0
69.49818	4.6
69.50233	1.8
71.01384	57.8
72.99308	2.8
73.02952	2.2
77.58856	1.1
83.01398	1.7
85.02959	10.3
87.00880	1.7
88.94143	1.0
89.02448	73.1
90.02750	1.1
93.03452	1.7
95.01405	3.3
101.02450	30.0
113.02456	21.1
119.03526	30.3
119.05026	40.1
121.46217	1.1
126.95586	1.3
131.03494	3.3
137.02467	3.5
137.06004	3.0
138.05609	1.8
143.03470	2.5
146.57484	1.2
149.04604	2.4
161.04616	1.2
179.05556	1.6
204.38399	1.4
288.24057	1.4
299.11209	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	299.1144
Annotation	Salidroside
Peak:m/z	Relative Intensity
51.76336	1.1
57.79583	1.1
58.00587	4.4
59.01382	100.0
69.05395	4.7
69.05824	5.1
71.01387	61.2
72.99305	5.9
73.02990	1.0
74.99097	9.4
83.01385	1.4
85.02972	11.8
87.00880	4.0
89.02449	76.5
94.82494	1.2
95.01397	4.8
98.21817	2.4
101.02454	33.9
107.05033	2.1
113.02460	23.1
119.03519	31.7
119.05015	20.8
121.02900	1.1
123.00916	1.1
123.03273	2.0
131.03494	3.3
137.02435	2.3
137.06097	6.1
138.05624	22.5
143.03491	2.7
149.04576	1.9
161.04588	2.9
172.01628	1.3
179.03448	1.6
179.05620	2.5
180.06616	1.2
187.00362	3.1
207.06522	2.6
212.02176	1.1
214.99915	3.3
227.14104	1.3
242.99313	6.3
254.05818	3.2
255.06668	1.4
256.07367	3.7
269.04755	1.2
270.98837	20.8
271.02347	3.6
271.09775	3.1
271.99478	1.3
275.10275	1.1
278.44388	1.3
298.98325	14.5
299.01974	5.2
299.11710	8.7
299.99081	17.2
300.10898	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	299.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15968	1.0
52.07794	1.0
55.01884	1.4
57.03441	1.6
58.00587	4.1
59.01382	100.0
64.99883	1.3
69.53738	5.8
71.01388	57.8
72.99305	3.1
73.02943	2.1
73.22962	1.1
80.93816	1.1
83.01401	3.0
85.02950	10.7
87.00853	1.4
89.02453	73.6
91.77938	1.2
93.03466	40.5
94.03790	1.4
95.01384	3.5
98.21828	1.9
101.02452	31.1
101.61864	1.6
102.02798	1.2
105.01201	1.2
113.01718	2.2
113.02464	22.6
119.02680	2.1
119.03532	30.3
119.05031	39.3
127.78144	1.1
131.03526	1.8
137.02461	54.4
137.06096	3.5
138.02887	1.2
138.05608	2.1
143.03439	1.8
149.04578	2.3
155.09909	1.1
161.04576	1.7
179.05603	2.8
226.26736	1.3
299.11081	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.114
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79252	0.8
55.01876	2.1
57.03425	1.8
57.07998	0.8
58.00581	3.5
59.01383	100.0
60.37826	0.9
69.03406	0.9
70.41465	1.4
70.41785	1.9
71.01386	55.4
72.99309	5.9
73.02941	3.8
74.99108	4.9
83.01395	3.2
85.02959	11.3
87.00876	3.0
89.02453	74.2
90.02795	1.3
93.03464	2.9
94.78399	1.1
95.01385	3.5
99.00869	1.2
101.02451	34.2
109.03002	1.4
113.02459	22.0
119.02681	1.9
119.03532	30.3
119.05028	42.5
120.03819	1.0
120.05371	2.0
123.04512	1.5
131.03482	2.7
133.02946	1.0
137.02426	5.0
137.06088	4.2
143.03447	1.8
148.86577	0.9
149.04501	2.2
161.02451	1.1
161.04533	2.2
167.03513	2.6
171.04506	1.1
173.24481	0.9
175.04039	3.0
179.05629	3.6
199.04012	2.0
201.01889	2.2
211.04111	3.2
213.05571	3.2
227.03638	5.1
227.07118	1.2
231.02966	1.4
231.06609	1.2
237.04352	1.3
242.99347	2.2
243.02908	1.3
255.02983	4.2
255.06696	2.3
270.99152	5.6
271.01971	4.4
298.98315	4.0
299.01981	6.7
299.05609	11.9
299.11356	2.8
299.14951	1.9
299.99115	4.3
300.02332	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1866
Annotation	Achaetolide
Peak:m/z	Relative Intensity
57.03454	5.3
59.01379	0.3
63.02401	1.5
65.00327	0.8
69.03470	0.7
69.74819	1.2
71.05019	1.5
76.34330	0.3
83.01403	1.1
83.05046	1.1
85.50715	0.4
93.03460	0.5
95.05035	6.6
97.06596	21.3
98.06956	0.6
98.21874	0.6
100.32634	0.4
107.01381	2.0
108.43996	0.5
109.02987	0.9
111.04561	0.4
111.08163	3.9
113.09747	0.8
118.85999	0.4
119.05031	0.4
121.02985	0.6
123.08237	0.4
125.09726	1.3
128.69202	0.4
133.02960	5.2
134.03754	3.5
135.04471	0.4
137.02481	3.1
137.09720	1.3
139.11302	48.0
140.11661	1.1
143.05048	0.4
143.07155	0.5
145.02951	0.8
148.01692	0.7
149.02463	1.1
149.99533	0.4
150.03163	0.6
151.00398	2.4
155.10724	0.5
161.02493	0.6
162.03246	2.6
163.04012	1.1
171.04594	0.6
173.11873	0.5
174.03198	0.4
175.04051	0.7
176.04860	0.9
179.03560	0.5
183.10277	20.0
183.13799	2.7
184.10579	0.4
187.03986	1.0
198.03189	0.4
199.04002	1.5
200.04788	0.7
201.01804	0.6
201.11346	4.9
203.03294	0.4
209.15572	0.5
211.04050	1.5
212.04617	0.7
213.05605	0.8
215.03542	0.7
217.00209	0.8
219.17532	0.5
227.03574	2.1
227.07120	0.5
237.05724	0.4
237.18588	13.8
238.18994	0.6
239.03662	0.7
239.06993	0.6
241.05019	1.2
243.03166	0.7
255.02979	1.3
255.06615	1.2
255.19669	1.3
256.03766	4.1
263.16605	1.8
265.05023	0.7
266.05789	0.7
267.06699	1.3
269.04550	3.2
270.99374	0.7
271.02463	6.4
281.17590	18.4
282.17950	1.2
283.02676	0.6
283.06152	4.5
284.03311	61.5
284.06836	8.6
285.03632	4.3
285.06836	0.6
299.02045	8.6
299.05652	63.8
299.09274	26.3
299.18637	100.0
299.99408	0.6
300.02689	1.2
300.05994	4.9
300.09656	1.3
300.18961	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	4.3
57.07283	0.5
63.02391	1.3
63.15751	0.4
64.04955	0.4
65.00315	0.7
66.82720	0.5
69.03455	0.7
70.47325	0.5
71.05023	1.8
74.18378	0.4
83.01385	1.4
83.05016	1.0
95.05031	6.5
97.06596	21.6
98.21709	0.8
107.01390	2.1
107.90617	0.4
111.08165	3.3
113.09739	0.7
119.05056	0.8
121.03020	0.8
125.09707	1.1
131.85257	0.5
133.02972	4.5
134.03740	3.6
137.02470	1.9
137.09686	1.3
139.11301	46.2
140.11624	1.0
148.01669	0.5
149.02470	0.8
150.03256	0.9
151.00430	3.2
161.02448	0.6
162.03236	4.1
163.03993	0.6
171.04549	0.9
175.04042	0.8
176.04723	0.9
183.10281	21.2
183.13853	2.9
184.10512	0.7
187.03999	0.6
199.04021	1.6
200.04681	0.5
201.11365	4.3
205.28033	0.6
209.15329	0.6
211.04025	1.0
212.04729	0.7
219.17763	0.8
227.03474	2.2
227.07083	0.6
237.18600	14.4
241.05019	1.1
243.03018	0.6
255.03003	1.4
255.06688	0.7
255.19681	2.3
256.03745	2.6
263.16550	1.3
267.06680	1.5
269.04684	4.0
271.02493	8.6
272.03036	0.5
281.17593	20.1
282.18121	1.4
283.02921	0.8
283.06088	3.9
284.03323	57.2
284.06802	8.2
285.03644	4.3
285.06805	0.9
299.02020	10.0
299.05630	59.2
299.09247	25.9
299.12924	2.4
299.18649	100.0
300.02475	1.2
300.05954	4.5
300.09613	1.4
300.18964	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	299.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72860	1.4
57.03442	11.5
59.01383	10.5
67.98866	1.9
69.03461	3.1
69.52757	7.8
81.03468	1.9
83.05026	24.8
87.62327	1.6
95.05035	3.2
97.06588	19.9
109.02966	2.3
109.06604	9.4
111.08170	100.0
112.08493	1.8
113.09721	3.2
123.08191	9.4
125.09732	84.7
126.10151	2.6
127.07589	2.2
139.07651	3.7
145.08698	1.8
157.08707	57.8
159.10286	24.5
169.08698	2.9
171.04588	1.9
171.10294	14.7
173.08212	2.5
174.99249	3.2
187.09735	7.0
199.04028	1.9
217.00269	9.7
227.03316	2.2
270.99341	2.5
271.02530	16.4
272.02524	1.8
284.03268	1.7
284.06808	2.3
298.98752	2.9
299.02005	18.5
299.09256	6.3
299.18665	61.4
299.22195	5.0
299.98853	2.4
300.18979	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	299.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	13.2
59.01373	15.0
69.04162	19.8
69.04588	8.3
73.45481	3.6
81.03483	4.7
83.05038	20.7
95.05033	13.6
97.06003	5.5
97.06595	46.9
98.22490	5.4
99.08138	3.3
109.06625	5.3
111.08164	80.7
113.09749	8.6
121.49632	3.2
123.08167	6.7
125.06094	7.3
125.09718	100.0
127.07628	5.2
129.05583	5.5
134.59804	3.9
143.07152	52.8
145.08673	7.6
157.08699	78.7
159.10323	28.9
169.08717	4.3
171.10281	64.5
173.11829	36.6
174.99220	6.0
199.04031	5.1
217.00322	17.7
228.00412	3.5
270.98880	4.9
271.02432	21.6
299.01978	30.8
299.18631	73.6
299.22269	15.0
299.99054	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2017
Annotation	Dehydroabietic acid
Peak:m/z	Relative Intensity
69.03518	5.4
73.48002	0.6
76.13608	0.6
84.15195	0.5
143.10788	5.5
173.11806	2.3
190.37238	0.5
196.96721	0.6
236.55994	0.6
270.98828	0.7
271.02408	1.0
288.85464	0.6
298.98392	0.6
299.01947	1.1
299.20175	100.0
299.25824	4.4
299.99066	0.9
300.20480	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	299.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.8
57.53188	0.7
61.04415	0.7
66.50307	0.6
69.66562	0.6
100.83719	0.6
126.77338	0.6
128.97337	0.6
129.00227	0.6
185.00835	2.3
237.22240	64.1
238.22638	3.4
242.99203	0.7
255.23099	1.1
271.02426	1.5
281.21219	30.1
282.21558	1.8
299.01935	2.7
299.15298	4.7
299.22278	100.0
300.22522	5.9
302.83865	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.223
Annotation	Unknow
Peak:m/z	Relative Intensity
71.17604	2.3
76.72298	1.2
82.40565	1.2
83.20892	1.0
87.23158	1.0
124.60181	1.3
127.11287	1.3
143.10789	100.0
144.11070	2.0
155.10757	2.9
162.02533	1.1
173.11847	40.0
271.02597	7.6
298.99008	1.4
299.02026	8.3
299.22321	17.5
299.25943	46.5
299.99225	2.0
300.22824	1.2
300.26181	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	299.2594
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
59.89585	0.3
60.45658	0.3
78.79025	0.3
87.80182	0.4
93.98213	0.3
107.07776	0.3
149.73003	0.4
170.90979	0.4
206.02106	0.3
253.25365	4.0
271.02402	0.6
281.24808	0.9
283.06122	0.4
284.06784	0.7
297.24438	0.8
299.02011	0.6
299.09106	1.8
299.25928	100.0
300.26266	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	299.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77337	0.3
61.19485	0.3
64.12801	0.3
69.66887	0.8
69.67281	0.7
81.23459	0.3
84.51544	0.3
90.90152	0.4
98.22538	0.4
190.51262	0.3
201.88049	0.4
206.04636	0.3
253.25412	4.2
271.02536	0.4
281.24860	1.3
297.24423	0.9
299.25937	100.0
299.99094	0.5
300.26303	6.9
303.94876	0.4
307.73615	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2593
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
54.34498	0.7
64.77377	0.6
82.81530	0.8
98.10477	0.7
110.45890	0.7
158.53702	0.7
180.24162	0.7
198.33850	0.8
225.22357	1.2
249.22197	0.7
251.23802	3.7
253.25385	47.5
254.25706	3.4
254.62228	0.7
271.02505	2.2
281.24939	1.4
283.51163	0.7
299.01932	2.3
299.25949	100.0
299.99075	1.3
300.26324	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	300.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00336	0.4
55.42923	0.2
58.81051	0.2
59.01381	2.5
59.39089	0.2
68.01421	3.1
71.01385	0.7
72.99325	0.3
74.19893	0.2
74.34460	0.2
77.38171	0.2
77.64170	0.2
80.15323	0.2
87.48191	0.2
89.02475	0.4
94.06644	0.5
95.05051	0.3
96.04558	0.6
101.02507	0.4
106.45617	0.2
110.06150	0.4
121.49100	0.2
122.02489	0.9
122.06162	0.3
123.00904	0.6
123.03278	6.6
124.04067	0.4
124.07737	1.0
125.02542	0.2
127.88786	0.2
129.03506	0.3
130.08784	0.6
132.02187	0.7
136.07724	0.7
137.04843	0.9
138.05623	100.0
139.05959	3.1
140.07184	0.3
145.02965	0.6
147.00912	0.2
150.05600	0.2
152.03491	0.5
152.07190	1.8
157.03032	0.4
160.01660	0.6
161.02437	0.2
163.04036	0.3
166.08728	0.7
167.05910	2.2
168.06657	0.7
172.01648	1.3
173.02428	0.7
180.06674	6.3
181.07042	0.3
185.02420	1.3
187.00429	0.3
188.01050	0.3
189.01877	0.4
196.04402	0.5
199.00334	0.5
200.01201	0.9
201.01907	1.1
210.07690	0.6
214.99835	0.3
216.00597	1.9
217.01337	0.3
226.99873	0.7
228.00665	1.4
228.99498	0.3
229.01396	1.6
240.08798	0.5
242.99274	0.4
244.00075	1.6
245.00911	0.8
254.99365	0.4
257.00958	0.7
270.98840	0.5
271.99423	2.5
282.98862	0.9
283.99622	1.6
299.99133	17.4
300.10895	12.3
300.19278	0.5
300.99905	27.7
301.11258	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.9991
Annotation	Ellagic acid
Peak:m/z	Relative Intensity
50.88982	0.2
51.12441	0.1
59.00906	0.1
98.22527	0.4
101.03988	0.2
117.03464	1.0
119.05028	0.3
129.03474	1.0
133.02945	0.5
145.02969	3.8
147.04465	0.5
155.51065	0.1
157.02951	1.7
160.01631	0.2
161.02458	0.6
163.04037	1.0
171.00890	0.2
172.01740	0.2
173.02446	4.0
175.00381	0.2
185.02438	4.3
186.02875	0.2
187.00233	0.2
189.01939	1.1
199.00345	0.5
200.01170	1.1
201.01953	4.1
202.02222	0.2
212.01137	0.2
213.02008	0.5
216.00612	0.6
217.01431	1.2
226.99902	1.0
228.00720	0.8
229.01427	6.2
230.01718	0.2
244.00133	0.6
245.00917	2.9
254.99376	0.6
256.00082	0.3
257.00909	2.6
271.99734	0.3
273.00412	0.5
283.99649	6.5
284.02777	0.4
284.99973	0.5
299.99130	5.1
300.99899	100.0
302.00253	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.9991
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16301	0.3
50.22817	0.3
50.41931	0.3
65.43641	0.4
69.20654	1.3
69.21062	0.8
85.67359	0.3
94.88453	0.3
97.26222	0.3
117.03468	1.3
129.03468	1.2
133.03012	0.4
144.28967	0.3
145.02988	4.3
147.04562	0.5
151.00473	0.5
157.02951	1.7
161.02435	0.6
163.04018	1.5
173.02452	3.3
184.01654	0.4
185.02448	3.7
189.01918	1.5
199.00397	0.7
200.01129	1.1
201.01929	4.1
213.01927	0.5
216.00623	0.4
217.01379	1.1
226.99840	1.0
228.00688	1.0
229.01440	5.3
244.00124	0.4
245.00871	2.4
245.93929	0.4
254.99422	0.5
256.00125	0.4
257.00992	2.8
273.00421	0.6
283.99606	5.8
285.00000	0.6
299.99133	5.6
300.99921	100.0
302.00269	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	301.0345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33223	0.3
63.02402	7.3
65.00329	11.6
67.01905	0.4
69.40726	1.4
69.41128	0.7
83.01392	8.4
91.01917	0.9
93.03474	4.3
98.21811	0.3
107.01402	20.8
108.02226	0.9
109.02952	10.5
111.00920	0.4
117.03477	0.6
119.01403	1.5
121.02968	17.5
122.03326	0.7
123.00892	0.9
124.01681	0.6
125.02441	0.9
129.03513	0.7
131.05074	0.4
133.02954	0.6
135.00880	1.3
137.02464	0.6
139.04024	3.0
143.05069	0.6
145.02959	2.7
147.00963	0.4
147.04535	1.5
148.01678	0.7
149.02434	2.8
151.00380	52.2
152.00722	1.8
156.05847	0.4
157.02963	1.0
157.06537	0.6
158.03804	0.4
159.04553	2.2
161.02444	1.5
163.00385	5.7
163.04044	2.1
164.01143	1.7
165.01917	0.6
167.05038	0.4
169.01460	1.9
169.02835	0.3
170.03760	0.4
171.04520	0.6
172.01625	0.4
173.02466	3.4
173.06136	0.7
174.03156	0.4
175.03989	1.4
177.05531	0.6
178.99875	19.3
180.00209	0.7
183.04533	1.9
184.86328	0.3
185.02472	3.7
185.06094	0.9
187.04025	2.3
189.01945	1.1
189.05563	0.5
190.99884	0.6
192.00633	0.5
193.01439	1.1
195.04509	0.5
199.00377	0.5
199.04008	1.3
200.04689	0.3
201.01923	3.2
201.05562	2.1
202.02277	0.4
203.03537	1.4
205.05125	0.5
211.03978	3.0
212.04599	0.8
213.01949	1.6
215.03581	0.4
217.01559	0.6
226.99890	1.3
227.03490	3.2
228.00700	0.7
228.04193	0.8
229.01424	3.8
229.04982	2.7
230.02060	0.8
239.03497	1.0
240.04060	0.4
243.03004	1.2
244.00227	0.5
245.00908	2.0
245.04561	4.9
254.99371	0.4
255.00229	0.5
255.03006	4.7
256.03586	1.4
257.01044	2.1
257.04544	1.3
271.02563	1.0
272.02985	0.6
273.01010	0.5
273.04065	3.7
273.07248	0.4
283.02472	2.3
283.99649	3.9
299.99164	4.1
300.99936	75.8
301.03549	100.0
302.00272	4.5
302.03906	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	301.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86200	0.2
51.74897	0.2
52.37645	0.2
54.42770	0.2
62.28688	0.2
63.02401	12.6
64.02711	0.3
65.00327	21.2
66.00664	0.3
69.64790	0.4
69.65177	0.5
83.01392	13.4
84.01768	0.3
87.23383	0.2
93.03466	6.7
95.01410	0.8
107.01395	31.8
108.01672	0.3
108.99273	0.5
109.02956	2.6
111.00865	0.7
117.03478	0.7
119.05093	0.4
120.02132	0.3
121.02963	29.8
122.03302	0.6
123.00860	0.5
124.01665	0.7
125.02448	1.9
129.03554	0.2
130.55264	0.2
133.02986	0.4
135.00902	0.4
135.04562	0.3
137.02428	1.2
139.04021	2.7
143.05028	0.3
145.02989	1.9
147.00856	0.4
147.04501	0.9
148.01682	0.5
149.02438	4.0
151.00375	91.6
152.00700	2.3
155.05159	0.2
157.02951	0.6
157.06535	0.3
159.04512	1.0
161.02432	2.0
161.06076	0.5
161.75140	0.2
162.03210	0.3
163.00400	2.0
163.04012	1.8
164.01172	2.1
165.01936	2.4
169.01442	4.9
171.04494	0.3
173.02451	1.9
173.06137	0.3
175.03993	0.9
177.05629	0.3
178.99861	30.8
180.00204	0.8
183.04520	0.7
185.02449	2.1
185.06015	0.4
187.03987	1.2
189.01901	0.6
192.00664	0.7
193.01453	1.9
196.00177	0.5
199.00284	0.2
199.04018	0.3
201.01944	2.1
201.05627	1.3
203.03505	0.6
205.04985	0.9
211.04025	1.3
212.04611	0.3
215.03519	0.5
216.00620	0.3
217.01425	0.6
226.99985	0.6
227.03525	1.0
228.04137	0.4
229.01419	2.4
229.05025	2.3
230.02202	0.3
231.02972	0.4
239.03426	0.3
240.00659	0.3
240.04245	0.7
243.02940	0.9
245.00887	1.0
245.04568	2.6
255.03004	0.7
256.03711	0.8
257.00903	1.2
257.04599	1.3
267.06561	0.3
270.09021	0.3
271.02621	0.3
271.06128	0.6
272.02972	0.3
273.00558	0.3
273.04065	4.6
274.04462	0.4
283.02429	0.4
283.99670	2.5
284.02896	0.4
284.99954	0.3
286.08441	0.7
299.01849	0.8
299.99149	2.9
300.02521	0.4
300.99921	41.0
301.03506	100.0
302.00235	2.4
302.03845	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	301.0357
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63846	0.3
59.01381	0.2
63.02406	11.1
65.00333	19.5
69.81496	0.4
69.81880	0.6
70.22099	0.4
79.76353	0.3
83.01395	11.7
93.03460	6.5
95.01406	0.7
97.29406	0.3
107.01401	27.8
108.01670	0.4
108.99352	0.5
109.02963	2.8
111.00865	0.4
117.03426	0.4
119.01434	0.5
121.02972	25.6
122.03311	0.5
123.00906	0.5
124.01648	0.5
125.02470	1.1
127.04443	0.3
133.02985	0.8
135.04570	0.4
137.02438	0.7
139.04030	3.3
145.02969	1.5
147.04547	0.3
148.01747	0.5
149.02472	3.7
151.00386	79.8
152.00728	1.8
157.02890	0.6
159.04518	1.1
159.61601	0.3
161.02428	1.7
163.00369	1.8
163.04027	1.6
164.01187	1.6
165.01991	0.6
169.01424	2.8
173.02470	1.0
173.06235	0.4
175.03999	1.0
178.99881	27.5
183.04553	0.7
185.02451	1.2
187.04025	1.4
188.67197	0.4
189.01923	0.8
189.05585	0.3
192.00624	0.4
193.01392	1.4
199.04021	0.4
200.01195	0.5
201.01967	1.0
201.05560	0.9
203.03607	0.5
205.05055	0.6
211.04048	1.1
212.39212	0.3
213.01907	0.5
215.03523	0.4
217.01534	0.5
217.05132	0.3
227.03523	1.1
229.01537	1.3
229.05156	2.2
230.02266	0.4
231.09183	0.3
243.02975	0.6
244.00037	0.3
245.00937	1.0
245.04483	2.8
255.02995	1.0
256.03717	0.5
257.00977	0.6
257.04550	1.2
273.04056	4.1
283.99619	2.0
284.03036	0.6
288.39017	0.3
299.02026	0.4
299.99036	1.5
300.99994	26.5
301.03571	100.0
302.00296	1.0
302.03784	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	301.0568
Annotation	Neostigmine bromide
Peak:m/z	Relative Intensity
55.04782	0.5
56.59930	0.5
66.58048	0.5
68.77642	0.5
69.03456	2.4
71.30835	0.9
79.01902	0.8
81.03467	0.9
83.01387	1.2
95.01378	0.7
97.02946	2.2
97.13300	0.6
100.53942	0.5
104.79285	0.5
107.01411	1.5
123.00893	4.7
124.00757	1.0
124.01673	20.4
125.02460	53.8
126.02804	0.9
130.06618	0.6
136.63770	0.6
137.02454	1.2
139.04001	2.6
149.99600	27.4
151.00403	4.0
167.03453	0.6
168.00655	78.3
169.01418	7.7
188.79033	0.5
199.18523	0.6
255.13350	0.6
283.04593	6.3
301.05673	100.0
302.06003	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0721
Annotation	7-O-Methylaromadendrin
Peak:m/z	Relative Intensity
54.86584	0.2
55.01886	0.5
63.02399	0.4
65.00327	5.8
69.57870	1.0
70.40648	0.3
71.05041	0.4
76.36536	0.2
77.03972	2.3
79.01900	12.7
80.02238	0.3
80.97395	0.2
83.01369	1.2
93.03491	0.7
94.68836	0.2
95.01397	0.5
97.02962	3.2
98.22532	0.5
101.02349	0.3
107.01413	2.1
107.05048	1.1
109.02966	2.1
117.03473	0.6
121.02967	17.4
122.03335	0.4
123.00901	0.4
129.03400	0.3
133.03046	0.6
134.03740	2.5
135.04541	100.0
136.04866	3.0
137.02486	0.7
139.04030	3.6
145.02986	1.0
149.02435	0.3
151.00395	5.2
157.02998	0.4
159.04510	0.4
161.02440	1.6
163.04059	0.6
165.01945	68.8
166.02267	2.1
173.02444	0.5
178.99886	1.8
179.03520	0.7
183.02985	1.2
185.02440	1.3
189.02036	0.3
191.03526	0.6
199.00552	0.3
201.01888	1.3
202.02328	0.2
217.01373	0.4
227.00005	0.4
229.01488	1.4
229.05014	0.3
245.01001	0.7
254.99384	0.4
257.00812	0.7
257.03375	0.3
271.02548	0.8
273.04001	0.4
283.06223	0.4
283.99637	1.4
286.04028	0.6
299.99207	1.3
300.99911	28.2
301.03537	6.5
301.07193	11.0
301.10718	0.6
301.20181	0.5
302.00378	1.8
302.03650	0.3
302.07532	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0722
Annotation	7-O-Methylaromadendrin
Peak:m/z	Relative Intensity
51.52735	0.4
55.01870	0.6
59.01367	0.6
63.02398	5.9
65.00327	11.4
69.04655	1.9
69.05080	2.1
71.05025	13.1
71.63464	0.5
76.57967	0.4
77.03974	1.8
79.01898	3.7
81.03444	0.5
83.01392	7.5
83.71012	0.5
93.03463	4.2
95.01427	0.5
95.05027	2.5
97.02946	7.3
97.06596	0.4
107.01397	17.2
107.05042	1.0
109.02961	2.4
111.00874	0.9
117.01799	0.4
117.03458	1.6
119.05045	0.8
121.02966	18.4
122.03311	0.7
123.00896	1.2
123.04538	2.9
124.01705	0.6
125.02473	1.1
129.03471	1.2
131.05064	0.7
133.02986	3.0
134.03845	0.6
135.04539	6.7
137.02460	0.8
138.03218	1.4
139.04021	55.8
140.04379	1.3
145.02948	3.2
147.04582	0.8
149.02484	3.5
151.00375	43.1
152.00758	1.9
157.02977	1.1
157.06683	0.4
159.04533	1.5
161.02455	1.5
163.00302	0.9
163.04025	2.4
164.01157	0.9
165.01935	9.2
166.02718	6.8
167.03514	1.6
169.01396	2.5
171.04547	0.6
171.08203	0.8
173.02428	3.5
173.06035	1.3
175.03902	0.8
177.05583	5.6
178.99872	17.5
179.03471	1.3
180.00238	0.7
183.02943	0.6
183.04437	0.8
185.02473	4.2
187.07628	1.2
187.09782	0.9
189.01970	1.0
191.07121	1.0
193.01399	4.9
199.00414	0.6
200.01129	0.8
200.04883	0.8
201.01947	4.3
201.05579	2.3
203.03397	0.8
211.04146	0.7
213.01927	0.8
213.09241	2.1
215.07172	5.0
217.01530	1.0
226.99832	1.5
227.03459	1.3
227.07269	0.7
228.00667	0.8
229.01405	5.4
229.05020	1.2
229.08704	2.5
230.02216	0.5
244.00058	1.0
245.00853	2.6
245.04625	1.4
255.03030	0.8
255.06488	0.6
257.00864	2.8
257.08170	8.5
258.08484	0.9
271.99805	0.5
272.02975	0.6
273.04160	2.4
273.07684	38.6
274.08072	1.7
283.06116	1.9
283.99652	6.2
299.99118	5.5
300.99921	100.0
301.03543	64.3
301.07178	29.9
301.16675	1.1
301.20197	2.1
302.00262	5.1
302.03897	4.0
302.07471	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0932
Annotation	Isotachioside
Peak:m/z	Relative Intensity
51.55789	0.4
59.01389	0.8
70.63886	0.8
71.01388	4.8
73.02930	1.0
75.84599	0.4
85.02947	2.5
89.02458	0.5
95.01408	5.6
97.02964	0.5
99.00874	0.6
101.02435	2.7
105.61331	0.5
105.62035	0.5
108.02139	0.7
109.02976	1.2
113.02465	2.2
121.02956	2.3
122.03745	0.6
123.00893	100.0
124.01744	6.0
125.02451	7.2
126.02720	0.5
128.60466	0.5
137.02434	3.0
138.03238	65.8
139.04048	13.6
144.16158	0.5
149.02496	2.5
150.03209	0.9
151.04036	1.4
161.04578	3.4
166.02728	2.1
168.00603	1.2
169.01425	13.5
171.53941	0.6
178.02763	1.3
181.05064	6.0
193.05009	3.1
301.00204	2.4
301.05698	3.9
301.09302	2.5
304.29572	0.5
318.22037	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1083
Annotation	Sequirin C
Peak:m/z	Relative Intensity
52.24906	0.4
58.12053	0.4
63.28852	0.4
69.59050	0.8
69.59446	1.0
79.26816	0.5
107.01432	0.6
108.02209	1.1
109.02966	1.3
119.05028	1.2
121.02979	2.7
122.03762	2.6
123.04526	7.2
131.05064	0.6
133.02977	1.2
134.03754	4.7
135.04510	1.3
137.02470	0.6
145.02974	9.8
146.03792	3.0
147.04507	1.7
149.02530	0.7
149.06082	2.1
151.00359	1.9
157.02974	0.5
159.04565	3.3
161.02367	0.6
163.04022	1.6
164.04805	1.5
165.05579	0.6
172.05379	0.6
177.05574	6.4
178.06418	0.6
178.99846	0.6
181.06606	0.7
183.08130	0.5
185.02446	0.9
185.06099	0.6
193.06551	0.7
194.07388	2.0
195.08131	2.9
196.03748	0.5
196.05316	1.6
197.06073	4.6
201.01941	0.9
209.06123	1.4
210.03316	0.5
210.06842	0.7
211.04123	0.6
211.07661	7.3
212.08449	10.4
221.06111	1.5
222.06779	3.4
223.07657	10.8
224.04747	1.4
224.08247	1.3
225.05582	12.3
226.06096	0.7
227.03596	0.5
229.01367	1.0
237.05566	1.0
238.06381	1.4
239.07162	21.7
240.04385	0.8
240.07907	16.6
241.08446	0.8
245.00928	0.7
249.05574	1.3
250.06288	2.4
251.07149	20.8
251.09792	1.0
252.04713	0.6
252.07922	13.1
253.05075	10.4
253.08655	5.2
254.05443	0.8
255.10271	1.0
257.07977	0.6
266.05835	9.3
267.02411	0.7
267.06625	40.7
268.07410	100.0
269.07813	7.3
271.06149	3.4
272.02875	0.6
278.80182	0.6
283.09778	67.4
283.99628	1.4
284.10187	4.2
285.07758	2.3
286.08353	2.4
299.99081	1.2
300.06308	1.1
300.99930	26.1
301.03439	3.4
301.10837	35.1
302.00208	1.6
302.11237	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24906	0.4
58.12053	0.4
63.28852	0.4
69.59050	0.8
69.59446	1.0
79.26816	0.5
107.01432	0.6
108.02209	1.1
109.02966	1.3
119.05028	1.2
121.02979	2.7
122.03762	2.6
123.04526	7.2
131.05064	0.6
133.02977	1.2
134.03754	4.7
135.04510	1.3
137.02470	0.6
145.02974	9.8
146.03792	3.0
147.04507	1.7
149.02530	0.7
149.06082	2.1
151.00359	1.9
157.02974	0.5
159.04565	3.3
161.02367	0.6
163.04022	1.6
164.04805	1.5
165.05579	0.6
172.05379	0.6
177.05574	6.4
178.06418	0.6
178.99846	0.6
181.06606	0.7
183.08130	0.5
185.02446	0.9
185.06099	0.6
193.06551	0.7
194.07388	2.0
195.08131	2.9
196.03748	0.5
196.05316	1.6
197.06073	4.6
201.01941	0.9
209.06123	1.4
210.03316	0.5
210.06842	0.7
211.04123	0.6
211.07661	7.3
212.08449	10.4
221.06111	1.5
222.06779	3.4
223.07657	10.8
224.04747	1.4
224.08247	1.3
225.05582	12.3
226.06096	0.7
227.03596	0.5
229.01367	1.0
237.05566	1.0
238.06381	1.4
239.07162	21.7
240.04385	0.8
240.07907	16.6
241.08446	0.8
245.00928	0.7
249.05574	1.3
250.06288	2.4
251.07149	20.8
251.09792	1.0
252.04713	0.6
252.07922	13.1
253.05075	10.4
253.08655	5.2
254.05443	0.8
255.10271	1.0
257.07977	0.6
266.05835	9.3
267.02411	0.7
267.06625	40.7
268.07410	100.0
269.07813	7.3
271.06149	3.4
272.02875	0.6
278.80182	0.6
283.09778	67.4
283.99628	1.4
284.10187	4.2
285.07758	2.3
286.08353	2.4
299.99081	1.2
300.06308	1.1
300.99930	26.1
301.03439	3.4
301.10837	35.1
302.00208	1.6
302.11237	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1084
Annotation	Sequirin C
Peak:m/z	Relative Intensity
59.69487	1.1
64.44669	1.0
69.41982	5.9
71.90835	0.9
85.51893	0.9
107.01344	1.0
108.02178	1.7
109.02968	2.7
121.02960	3.1
122.03736	3.6
123.04530	8.5
125.09682	1.4
134.03735	4.5
135.04514	2.1
137.02414	2.9
145.02956	8.1
146.03714	3.0
147.04509	1.8
149.06139	1.5
150.03055	1.0
151.00348	1.5
157.03053	1.1
159.04500	4.1
163.04028	1.9
165.32709	0.9
172.05289	1.9
177.05537	4.9
185.02406	1.4
194.07373	2.7
195.08092	3.2
196.05232	1.8
197.06114	6.2
201.01997	1.9
209.06120	1.4
211.07642	9.4
212.08432	10.0
219.35851	1.0
221.06047	1.3
222.06982	2.5
223.07626	11.4
224.04718	1.9
224.08391	2.1
225.05576	15.1
226.05951	1.6
229.01520	1.5
237.05618	1.6
238.06337	2.0
239.07140	26.9
240.07899	19.4
241.08446	1.5
249.05603	2.2
250.06345	3.2
251.07135	21.0
252.07874	14.2
253.05095	12.2
253.08522	3.6
266.05875	9.6
267.06607	37.3
268.07404	100.0
269.07846	7.0
271.06131	3.1
283.09772	65.8
283.99606	2.0
284.10037	4.1
285.07690	2.5
286.08270	3.8
299.98975	2.1
300.99960	31.2
301.03448	2.9
301.10800	38.5
302.00189	2.8
302.11020	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.6
65.99850	0.3
81.03474	0.5
102.17737	0.4
109.01707	0.4
109.02960	0.5
110.02474	0.6
117.03467	1.1
118.06616	1.0
119.04966	0.5
123.00909	0.7
123.04534	1.8
125.02510	0.6
129.03522	0.5
133.02847	0.5
135.04456	0.5
137.02429	0.7
139.04022	0.6
145.02980	2.6
147.03246	0.5
148.04066	0.6
149.02431	1.1
151.03981	0.4
157.02956	0.9
160.01678	0.8
160.04042	4.6
161.04828	38.4
162.05608	7.8
163.04041	0.8
164.03574	3.0
171.01018	0.4
172.01688	0.5
173.02458	3.6
175.02750	2.9
176.03464	0.7
177.01883	1.2
177.05516	0.5
185.02405	3.8
189.01842	1.2
191.03456	0.4
192.03029	5.1
193.03810	28.7
194.04231	1.1
199.00404	0.9
200.01161	0.8
201.01866	3.7
216.00601	0.8
217.01164	1.4
226.99886	1.4
228.00549	1.1
229.01398	5.5
230.01920	0.4
240.10280	0.7
243.99940	1.0
245.00781	3.6
253.06071	0.5
256.00027	0.4
257.00882	2.3
271.10876	14.9
271.99527	0.8
272.11255	0.9
272.99994	0.7
273.46091	0.4
283.10886	43.3
283.99658	6.1
284.11258	2.9
299.99048	4.5
300.99829	100.0
301.11923	10.9
302.00146	8.0
302.12253	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38977	0.6
56.23673	0.6
57.03452	6.2
65.00349	0.9
69.03450	1.9
69.31074	3.4
69.59111	0.6
71.04939	0.6
79.58335	0.6
81.03487	0.8
83.05022	2.6
85.06614	1.8
95.05035	5.2
97.06596	31.5
107.01381	1.5
109.06560	0.8
111.08170	13.1
113.06073	3.1
113.09748	1.7
115.07664	2.3
121.02988	0.8
123.08180	7.0
125.09737	100.0
126.10050	2.6
131.07164	8.3
143.10806	1.8
145.03032	0.8
145.08727	1.8
151.00368	4.1
159.06689	3.2
159.10274	6.5
169.08722	3.0
173.08182	4.4
178.99889	1.3
185.02444	1.1
187.09776	87.2
188.10098	2.3
197.49971	0.8
201.01895	1.1
221.16957	1.3
221.19122	23.8
222.19412	1.3
229.01385	1.2
239.16525	1.9
239.20157	1.5
265.18097	13.6
283.15549	4.8
283.19153	11.7
283.99609	1.0
299.99121	1.2
300.99902	24.6
301.03516	5.0
301.16583	62.2
301.20215	63.7
302.00284	0.7
302.03607	0.7
302.16876	2.6
302.20535	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61665	0.4
59.27040	0.4
69.46910	0.4
69.53999	2.1
81.03462	30.1
83.01363	0.4
83.05032	100.0
84.05362	1.4
93.20867	0.4
97.59922	0.5
98.21731	0.4
101.06091	9.2
109.02950	1.0
121.02912	0.5
127.04029	4.3
127.11304	1.7
135.07030	0.4
138.03159	0.4
139.11296	1.7
145.03139	0.4
145.05067	11.9
151.00404	1.1
155.10803	0.6
173.02403	0.5
173.11835	40.1
174.12196	1.8
183.10320	0.7
185.02505	0.8
191.03477	0.7
201.02017	0.8
201.11369	3.0
229.01437	1.3
239.16478	2.9
241.04915	0.6
245.00870	0.6
257.11823	0.6
268.07434	0.4
283.15598	3.1
283.18503	0.5
283.99603	1.1
286.07770	0.5
299.99026	1.1
300.99942	22.0
301.03482	1.9
301.10916	1.4
301.16586	59.3
302.00317	2.1
302.11246	0.5
302.16992	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	301.1662
Annotation	Viridamine
Peak:m/z	Relative Intensity
57.57261	0.3
60.97506	1.0
63.49688	0.5
64.83740	0.3
67.92197	0.3
70.77293	0.5
74.99080	0.9
93.00124	0.3
118.96236	0.6
134.98442	0.5
134.99417	6.6
135.00449	0.3
136.97340	2.6
141.07420	0.4
143.05357	1.2
150.98891	0.5
159.08488	1.6
161.06409	7.1
201.04030	0.5
203.05656	4.3
205.03542	1.3
215.05670	1.2
216.10110	0.3
217.07214	90.4
218.07344	5.9
226.19684	0.3
235.08290	0.4
261.06247	0.5
283.11960	0.7
285.13492	37.2
286.13721	3.2
300.99963	3.9
301.16608	100.0
302.16809	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	301.2024
Annotation	Koninginin G
Peak:m/z	Relative Intensity
57.03455	5.4
59.72781	0.6
65.00298	0.7
69.59159	0.8
69.59568	2.4
78.94772	0.6
83.05027	9.8
97.06583	1.0
99.08167	2.0
109.02955	1.1
109.06596	3.6
111.08170	66.3
111.36944	0.5
112.08492	2.0
113.09747	1.5
123.00900	0.7
125.09766	1.4
127.07661	1.7
127.11321	2.2
129.09207	3.0
141.12946	0.8
145.08713	9.2
151.00409	1.4
173.08197	28.5
185.02563	1.2
201.01874	0.8
209.24696	0.7
211.20712	0.7
221.19118	30.6
222.19495	1.8
229.01564	1.2
237.18703	1.1
239.16573	2.5
239.20190	4.8
257.21259	1.3
261.19647	0.5
265.15271	1.2
265.18103	20.3
266.18381	1.7
283.15665	4.1
283.19125	22.1
283.99631	1.0
299.99265	0.8
300.99985	19.2
301.03482	1.9
301.16663	41.4
301.20291	100.0
302.00317	2.1
302.17044	2.5
302.20633	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	301.2023
Annotation	Koninginin G
Peak:m/z	Relative Intensity
57.03447	8.7
60.62919	0.9
69.26931	5.2
69.27344	2.1
77.38888	1.1
83.05028	16.9
84.73772	1.0
95.05013	1.2
96.20487	1.0
97.06590	6.9
99.08161	2.9
107.01389	1.5
109.02999	1.1
109.06590	4.4
111.08167	70.4
112.08533	2.5
113.09731	7.8
123.00875	1.1
123.08183	4.3
125.06123	1.2
125.09734	51.9
126.10073	2.3
127.07679	5.6
127.11315	3.3
130.09442	0.9
139.11339	1.4
141.09204	3.8
145.02939	1.5
145.08727	12.8
151.00368	3.6
155.07220	1.4
155.10880	1.9
157.08775	1.4
159.10278	78.7
160.10617	2.4
165.69446	1.0
169.08740	3.1
172.24100	1.1
173.02431	1.7
173.11832	62.9
174.12106	2.2
178.99835	2.5
185.02473	3.2
185.06097	1.0
187.09798	1.9
201.01944	2.9
213.02266	1.1
218.03674	1.0
219.63597	1.3
221.19141	2.5
229.01552	2.8
245.01007	1.6
265.18250	1.5
273.00427	1.4
283.19028	2.3
283.99670	2.8
299.99133	3.9
300.99948	66.2
301.03510	6.2
301.20248	100.0
301.23822	11.2
302.00345	6.0
302.03271	1.1
302.20801	7.0
302.23798	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	301.2386
Annotation	CHEBI:79288
Peak:m/z	Relative Intensity
50.67093	0.4
58.00589	0.9
59.01382	0.4
71.78700	0.4
85.62857	0.3
110.97241	0.4
122.58755	0.4
125.09738	0.9
127.11298	7.5
142.86513	0.4
143.10756	1.2
145.02989	0.4
151.00406	0.7
155.10802	1.9
157.12347	1.7
166.53055	0.4
171.10245	2.7
173.02455	0.6
178.99963	0.5
185.02582	0.4
201.11328	1.1
229.01476	0.5
245.00778	0.5
257.00909	0.4
265.21790	1.9
265.42041	0.5
281.21329	0.7
283.19626	0.6
283.22827	8.2
283.99609	0.7
284.23346	0.6
299.22272	4.1
299.99274	0.7
300.22690	0.4
300.99951	16.7
301.03458	1.0
301.23859	100.0
302.00302	1.4
302.24219	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	303.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	7.5
59.01375	1.8
65.00317	1.9
69.05141	11.6
81.03461	3.5
83.01396	7.8
84.24783	1.3
93.03457	7.1
95.01384	2.6
97.02928	2.5
98.22481	2.4
99.00894	1.6
107.01384	1.6
107.05039	3.3
108.02184	2.2
109.02966	30.6
109.76982	1.4
111.00855	2.0
111.04482	1.5
119.05042	1.6
121.02980	10.9
123.00934	3.7
123.04532	6.2
124.01704	7.3
125.02461	87.9
126.02786	2.2
131.05011	2.5
133.02943	3.0
137.02457	100.0
138.03009	2.9
139.00392	3.8
139.03989	2.1
141.01967	8.2
143.05043	3.4
145.02928	2.1
147.04529	5.3
149.02455	12.3
150.03214	4.6
151.00406	3.5
151.04053	10.3
153.01950	11.8
155.05078	2.1
161.02461	3.9
161.06056	2.9
162.03148	1.6
163.03976	4.2
164.01170	2.1
165.00555	2.2
165.01939	29.8
166.02571	2.2
169.06567	1.7
171.04518	4.6
173.02417	4.4
173.06148	2.6
174.03201	4.8
175.03996	13.4
177.01932	29.7
179.03447	1.5
185.06073	4.2
187.03969	4.0
188.04733	1.9
189.05606	9.9
190.02699	3.0
191.03549	8.6
192.04204	1.7
193.05051	8.2
195.04610	2.0
197.06178	3.1
199.04034	9.4
201.01915	3.6
201.05598	3.8
203.03508	2.5
205.05089	2.2
207.06607	15.8
211.04021	2.6
212.04797	2.8
213.03653	1.6
213.05521	10.2
214.02707	1.7
215.03520	6.7
215.07153	3.1
216.04298	3.1
217.01506	2.8
217.05054	20.7
219.02975	5.7
229.05078	4.6
231.06599	5.4
233.04614	7.7
235.06123	15.5
239.03609	2.4
241.05090	11.3
242.02367	2.0
243.03047	5.9
257.04587	15.4
259.02463	2.7
259.06146	19.7
261.04135	5.3
267.02969	1.6
274.04803	7.1
275.05588	19.8
285.04050	27.6
286.04407	2.0
303.01587	2.7
303.05124	57.8
303.14697	1.9
304.05438	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0513
Annotation	(+/-)-Taxifolin
Peak:m/z	Relative Intensity
57.03454	17.1
63.07912	0.7
63.18760	0.7
64.74829	0.8
65.00326	3.9
69.04578	4.5
69.04984	1.6
73.20415	0.6
81.03471	1.0
83.01394	6.4
86.40649	0.7
93.03470	1.0
98.22531	1.6
105.03455	0.9
107.01408	1.8
108.02177	1.6
109.02979	5.1
111.00935	1.5
119.05135	0.6
121.02957	2.0
123.04542	8.6
124.01653	2.3
125.02460	100.0
126.02805	2.6
135.04565	1.2
137.02426	1.0
139.04025	3.0
143.05032	1.0
145.03012	1.4
146.03732	1.4
147.04538	2.7
149.02454	6.3
149.06157	0.8
150.03252	7.4
151.00392	9.6
151.04021	12.1
152.01193	4.4
153.01984	6.8
161.02507	1.1
161.06149	1.5
163.04092	1.0
165.05547	1.0
171.04559	2.0
173.02448	0.8
173.06108	0.9
174.03241	3.9
175.04028	20.0
176.04294	0.8
177.01944	18.9
178.99867	9.5
179.03511	1.6
181.01421	2.0
188.04794	2.2
189.05605	4.6
191.07167	0.8
193.05080	3.9
197.06129	1.0
198.03217	0.8
199.03990	9.1
201.01949	3.3
213.05672	2.5
216.04266	2.0
217.05081	10.8
230.99509	1.1
231.06729	1.0
241.05072	6.6
243.02975	1.2
257.04459	1.3
259.06131	5.0
271.26132	0.6
275.05624	5.1
276.06140	1.0
285.04074	56.7
286.04379	3.3
303.00427	5.6
303.05206	5.7
303.08386	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	4.5
67.01880	2.0
69.25173	10.6
81.03458	3.9
81.48669	1.8
83.01383	9.9
91.45872	1.7
93.03452	5.8
94.00671	1.9
95.01347	1.9
95.33414	1.6
97.02969	4.1
107.05025	4.2
109.02964	31.6
111.00888	2.3
121.02965	7.2
123.00901	2.7
123.04539	3.3
124.01663	5.6
125.01537	3.7
125.02458	75.0
126.02804	1.9
131.05014	2.1
133.06609	2.0
137.02455	100.0
138.02933	2.5
145.02951	3.9
147.04529	7.0
149.02449	10.6
149.06125	1.9
150.03223	6.6
151.00470	3.0
151.04022	11.4
151.36411	1.9
153.01971	5.0
159.04526	5.2
161.02428	2.8
161.06015	3.8
162.03276	1.7
163.04013	4.2
165.01959	29.6
171.04489	2.2
173.02437	6.0
173.06065	3.8
174.03197	5.5
175.04073	12.4
177.01942	23.6
183.04541	1.9
185.06093	4.1
187.04004	4.6
187.07507	2.6
188.04736	2.9
189.05585	11.4
190.02765	2.0
191.03482	11.4
192.04149	2.2
193.05066	9.9
197.74254	1.9
198.03395	2.4
199.04045	5.5
201.01978	4.3
201.05600	2.2
205.05016	2.4
207.06648	16.5
208.24014	1.9
212.04614	2.5
213.05554	8.5
215.03471	5.6
215.07152	2.8
216.04221	3.1
217.01532	2.1
217.05034	20.5
219.02963	6.0
229.04988	5.9
231.06606	6.4
233.04506	5.8
235.06090	12.4
239.03426	2.7
241.05064	12.8
242.02229	2.3
243.03000	3.6
256.03781	1.7
257.04654	13.6
259.02563	2.0
259.03436	2.0
259.06168	19.6
261.04041	3.1
274.04892	8.3
275.05661	21.0
285.04074	28.3
296.10129	2.0
303.05106	68.1
304.05533	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	303.0876
Annotation	Catechin-7-methyl ether
Peak:m/z	Relative Intensity
57.03475	0.8
69.20141	4.7
81.03455	1.0
83.01414	1.0
93.03482	1.9
95.05035	8.8
104.99563	0.7
105.03461	1.1
108.02184	2.9
109.02964	41.2
117.03483	2.3
121.02980	2.9
122.03747	4.9
123.04539	100.0
124.01675	24.2
124.04881	2.7
125.02488	4.9
133.02988	0.9
135.04541	3.5
136.01651	4.2
137.02486	7.1
138.03247	2.0
139.04027	55.8
140.04387	1.2
145.02960	7.3
149.02440	1.9
150.03267	3.8
151.00542	0.7
151.04033	19.4
154.02667	1.0
161.02483	1.8
162.03291	0.8
163.00459	4.7
163.04033	11.8
164.01166	18.0
165.01878	2.4
167.28351	0.7
175.03961	1.4
177.01968	1.1
178.02811	3.9
179.03514	52.1
180.03981	3.0
181.05032	1.1
193.05038	4.4
195.06679	2.4
243.06598	1.0
271.06116	12.1
285.04114	2.7
303.00497	6.1
303.08768	37.2
304.09140	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	303.124
Annotation	Antibiotic LL-Z 1271alpha
Peak:m/z	Relative Intensity
68.55114	0.3
69.57944	1.2
73.71037	0.2
83.05044	0.4
93.07101	0.7
98.22487	0.4
119.08661	0.4
123.04566	0.4
124.01688	1.1
125.02454	0.3
129.07098	0.4
132.05757	0.3
137.02484	0.5
138.03261	2.0
145.06601	1.0
147.08176	1.3
150.03227	0.8
151.04048	1.7
162.03265	0.3
163.07703	1.5
165.05545	1.5
168.00768	0.4
171.08167	0.5
173.06079	3.0
173.09692	0.4
175.04015	0.7
176.04800	1.7
177.05804	0.3
178.06381	0.5
187.11359	0.4
191.07162	8.0
192.07516	0.5
201.05603	0.4
202.06384	1.0
213.12837	0.5
215.07187	0.9
216.07823	0.3
217.08778	0.8
229.08714	1.3
231.10242	2.0
231.13885	0.8
235.06274	0.5
235.18886	0.3
244.11107	1.1
257.11835	1.2
259.13391	44.0
260.13721	3.1
303.12387	100.0
304.12720	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.124
Annotation	Antibiotic LL-Z 1271alpha
Peak:m/z	Relative Intensity
51.95161	0.3
69.03471	0.6
69.69594	0.5
71.27697	0.8
74.06947	0.4
80.66420	0.4
95.01420	0.4
97.02966	0.9
107.01331	0.4
124.01675	1.8
125.02483	3.6
128.64915	0.4
136.01700	0.5
137.02466	0.6
138.03271	2.3
149.02509	0.7
150.03192	0.5
151.04059	0.4
161.02493	0.8
163.04068	0.5
168.00677	1.4
170.82193	0.5
173.06023	0.6
176.04730	0.8
180.24728	0.5
188.04704	0.5
189.05568	1.6
197.04196	0.4
201.05594	9.7
202.05933	0.7
213.12859	0.7
215.07124	9.1
216.07892	1.9
217.08595	0.6
229.08696	1.2
231.13902	0.6
241.08708	1.6
241.12288	0.5
243.10265	2.8
244.10939	1.5
257.11859	14.8
258.12219	1.4
259.13397	27.0
260.13751	1.8
274.81790	0.4
295.45197	0.5
301.10873	0.5
303.12393	100.0
304.12704	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	304.0013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60049	0.3
52.45949	0.3
53.11969	0.3
58.51147	0.3
59.01382	24.1
60.01717	3.5
61.01812	0.7
61.98835	100.0
70.82195	0.3
70.82547	0.5
116.02702	0.9
117.00496	0.3
117.02264	1.4
118.00569	0.6
118.97589	0.6
118.99464	0.3
119.00215	1.1
119.95283	1.2
134.97073	3.1
149.15953	0.3
152.30515	0.3
159.01509	3.9
159.96643	1.2
160.01639	9.6
161.01210	12.5
161.96292	3.3
161.98961	22.8
162.01515	2.2
162.96567	4.3
162.99094	0.9
176.98181	0.9
202.02731	2.3
203.02304	2.8
204.00026	4.1
204.02934	0.9
231.39214	0.3
261.99164	0.6
262.01547	0.6
271.45010	0.3
293.49536	0.3
304.00186	9.2
304.02890	8.9
304.99847	0.5
305.02591	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.192
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02979	48.8
65.12510	0.6
69.16830	2.0
69.17251	2.6
70.77824	0.6
84.18739	0.7
98.21722	1.1
111.00857	1.0
117.74068	0.7
124.01671	0.8
125.02467	2.1
139.00412	1.1
140.01115	1.2
168.00626	1.7
168.13951	100.0
169.01488	2.1
169.14319	4.2
189.20441	0.8
209.08096	0.7
212.12915	4.7
261.28033	0.6
262.58719	0.7
304.12961	0.7
305.13953	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	305.0126
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40635	2.6
56.63024	3.1
57.03473	2.7
58.02958	3.4
59.01384	15.1
68.99574	75.7
71.01389	7.7
71.27747	2.9
74.02483	5.8
75.00863	2.6
78.95927	4.0
83.01400	3.2
86.50745	2.8
87.00884	20.0
95.04963	2.8
96.96011	30.3
97.02924	3.3
99.05656	3.5
103.92020	4.0
109.02997	5.5
111.00903	6.1
112.98572	100.0
113.02467	4.0
114.47281	3.0
115.00371	8.8
120.99656	7.4
121.02992	2.9
125.02471	27.4
128.03523	12.8
133.01453	17.5
135.04564	3.4
137.02434	8.5
139.00359	4.3
139.04025	6.3
141.01945	4.4
142.02710	2.8
143.04620	10.0
149.02422	4.2
165.01959	6.4
167.03485	4.8
179.03468	6.5
179.04813	3.2
188.81743	2.7
219.06602	3.4
221.04674	4.0
228.97617	8.1
254.07849	4.6
261.07922	3.4
272.08847	5.9
291.13919	3.1
305.06732	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	305.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77772	0.8
57.03448	3.4
59.01382	13.7
61.98820	3.0
69.03448	0.8
69.92198	2.0
71.01385	11.9
72.99305	5.5
75.52253	0.8
78.95901	0.8
81.03475	1.5
83.01398	1.5
85.02966	1.5
87.00886	3.0
89.02456	2.0
90.97133	0.8
93.03453	1.0
95.05022	2.6
96.96025	6.3
97.02957	1.9
98.22555	0.8
101.02451	1.5
107.05005	0.9
109.02951	6.4
110.49986	0.8
111.00931	0.8
113.02496	1.3
115.00396	1.2
116.98724	5.6
120.99656	1.2
121.02969	2.1
123.00903	2.7
124.01699	2.5
125.02460	37.9
126.19540	0.8
129.02031	0.8
131.00264	5.8
132.98190	1.4
137.02444	11.1
138.03249	0.9
139.04056	7.1
142.96620	2.7
143.00214	1.5
143.03558	1.5
144.03522	1.6
144.04573	19.5
144.98239	1.4
146.95171	0.8
147.03053	1.8
158.99770	100.0
160.00098	1.1
161.02448	1.0
162.96645	1.1
164.01163	3.7
165.01976	6.9
167.03525	8.3
173.01326	62.1
174.01695	1.8
174.99280	2.2
175.04005	1.5
177.05589	1.9
179.03517	7.2
184.97694	30.9
184.99365	1.6
186.99248	2.4
187.35692	0.8
191.07048	1.0
201.00797	6.6
201.05643	1.5
204.04315	1.1
217.00339	2.0
219.06587	6.0
221.04552	3.5
225.11258	1.0
229.00327	1.5
230.98254	1.5
231.81874	0.8
244.99835	7.6
245.02121	0.9
245.03316	1.0
260.33551	0.9
261.07651	3.4
263.00244	0.8
305.02469	1.2
305.06589	23.0
306.07025	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	305.0339
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.5
79.95731	0.5
96.96015	52.8
112.71953	0.5
119.05023	0.6
125.02441	1.4
150.03120	0.6
163.07632	1.3
164.04811	6.6
165.05574	3.6
166.05928	0.5
177.01923	1.2
179.03535	2.5
180.04291	15.3
181.04662	0.5
191.03508	3.8
192.04300	15.0
193.04745	0.9
195.06654	1.4
207.06631	42.0
208.07025	1.1
225.07686	100.0
226.08040	4.1
242.81207	0.5
293.10089	0.5
305.03375	8.6
305.06857	2.2
305.10162	0.5
306.03656	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0669
Annotation	(-)-Gallocatechin
Peak:m/z	Relative Intensity
53.53735	0.8
57.03440	6.3
57.32705	1.0
67.01881	1.0
69.03452	1.6
70.16283	2.2
81.03458	4.0
83.01385	4.5
88.34307	1.0
91.62634	0.9
93.03472	3.0
94.49402	0.9
95.01397	1.6
95.05018	3.7
97.02973	4.3
98.21870	1.2
109.02953	16.7
111.04541	4.6
121.02977	2.4
123.00915	6.9
124.01664	6.3
125.02458	100.0
126.02824	1.3
135.04565	1.7
137.02460	30.1
138.03166	1.9
139.04021	21.1
147.04530	1.4
149.02415	1.2
149.06068	2.4
151.04018	3.4
159.04526	1.2
161.02422	4.0
162.03079	1.1
164.01169	6.9
165.01947	21.3
166.02657	1.1
167.03511	21.8
175.04010	2.3
175.07576	1.5
176.04825	1.0
177.02061	1.5
177.05606	5.6
178.02791	1.3
179.03503	21.4
180.03816	1.0
187.54143	1.2
191.07109	1.8
201.05627	1.5
203.03508	3.6
204.04248	3.2
219.06613	16.2
221.04539	10.8
225.52313	1.2
233.08200	1.2
237.07745	1.2
243.06577	1.7
251.60889	1.0
261.07706	6.7
263.05576	1.3
287.05508	1.5
305.06686	59.9
306.06955	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	305.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	8.7
60.85037	0.7
69.03461	1.4
70.26331	0.7
81.03462	4.7
83.01388	3.8
93.03471	2.5
95.01411	2.2
95.05045	2.3
97.02966	6.0
98.22601	1.7
102.32702	0.9
107.05082	1.1
108.02120	0.7
109.02949	12.6
111.04530	5.9
121.02966	2.8
123.00900	5.4
123.04545	1.6
124.01668	4.3
125.02459	100.0
126.02805	2.1
131.05002	0.9
135.04514	2.2
136.99654	0.8
137.02461	28.0
138.03210	2.4
139.04022	20.5
147.04483	0.7
149.06104	2.2
151.04036	2.7
155.03474	1.1
159.04526	1.8
161.02487	3.2
162.03261	0.9
164.01187	7.1
165.01949	20.8
166.02675	2.1
167.03499	25.0
173.06157	1.2
175.04054	2.4
177.01968	2.1
177.05641	5.4
179.03500	19.7
180.04070	1.0
181.05072	1.4
191.03627	0.8
191.07123	3.7
201.05577	1.9
203.03497	3.2
204.04234	3.2
218.05856	1.3
219.06650	15.6
220.06819	0.9
221.04588	8.5
222.04961	0.9
233.08263	0.8
243.06573	1.6
248.51532	0.8
261.07608	7.7
287.05676	0.9
305.06689	64.2
306.06973	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	305.0667
Annotation	(-)-Epigallocatechin
Peak:m/z	Relative Intensity
57.03449	9.6
64.20649	0.8
68.65103	0.7
69.03463	1.6
69.42728	4.2
80.02673	0.9
81.03464	3.5
83.01391	4.3
84.35300	0.7
93.03465	2.9
95.01408	2.6
95.05025	3.7
97.02981	4.1
99.04570	1.0
109.02965	16.7
111.04522	4.5
119.04958	0.9
121.02997	3.1
123.00915	7.5
123.04526	1.6
124.01694	6.4
125.02457	100.0
126.02753	1.2
129.13405	0.8
133.06610	0.9
135.04533	2.0
137.02454	30.0
138.03215	2.7
139.04025	24.7
147.04491	0.9
149.02415	1.5
149.06070	2.2
151.04027	2.3
155.74863	0.8
159.04492	2.4
161.02457	3.4
164.01163	6.1
165.01936	24.3
166.02704	1.3
167.03506	19.2
173.06061	2.2
175.03970	3.0
177.01936	2.3
177.05545	4.8
179.03513	21.4
189.05583	0.9
191.07150	2.4
201.05637	2.1
201.31924	0.7
203.03535	3.7
204.04309	4.4
216.93196	0.9
218.05844	0.9
219.06602	14.8
221.04541	7.1
233.08163	1.4
237.07730	1.2
243.06651	1.5
249.52681	0.9
261.07642	7.7
263.05487	1.0
287.05707	1.2
301.53793	0.8
305.06689	60.9
306.07013	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0668
Annotation	(-)-12-Methoxy-2,3-dihydrocitromycetin
Peak:m/z	Relative Intensity
59.01388	1.1
71.05034	0.7
71.28249	0.8
80.32374	0.4
87.04538	0.7
95.05049	0.5
96.96037	1.3
101.88839	0.5
103.05553	1.5
105.03504	0.8
108.02225	0.7
109.06642	1.0
111.04529	4.7
113.02415	0.6
114.48151	0.5
119.05070	0.9
123.04543	1.0
125.50866	0.5
129.03493	0.9
133.27512	0.7
137.06166	0.9
145.02977	1.2
146.03767	0.6
147.04535	5.5
155.08717	0.8
161.02444	1.0
162.03317	1.4
171.08147	1.4
173.02449	6.0
173.53682	0.5
175.04076	0.6
175.14983	0.5
184.05307	0.7
189.01942	6.7
190.02705	10.0
191.03505	24.8
192.03879	0.6
199.07587	0.9
200.04597	0.6
201.05640	0.9
203.03485	1.4
215.07152	4.4
217.01421	19.5
217.08684	1.0
217.15962	1.4
218.02110	1.9
225.05533	0.7
225.11411	0.6
228.04308	2.3
233.08215	1.3
243.06618	40.3
244.06927	2.1
247.09685	0.7
250.01222	0.8
258.12494	0.7
259.06027	0.6
261.07681	100.0
261.15070	1.9
262.07974	5.5
262.12192	0.7
287.16434	1.8
290.07983	1.0
305.06674	57.2
305.13965	5.1
305.17596	5.6
306.07022	4.1
316.40891	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0668
Annotation	(-)-12-Methoxy-2,3-dihydrocitromycetin
Peak:m/z	Relative Intensity
59.01386	0.4
68.99805	1.3
71.28023	0.4
87.04514	0.7
93.03456	0.3
96.96026	0.7
103.05526	0.4
111.04534	3.3
111.08241	0.4
117.03469	0.4
123.04555	0.9
124.01665	1.2
133.02934	0.4
135.08195	0.6
145.02972	0.6
147.04510	1.9
149.02411	0.6
149.09749	0.5
161.02467	0.7
162.03218	0.4
168.00620	1.6
171.08157	0.8
173.02472	2.3
175.04063	0.6
184.05325	0.8
187.07756	0.5
189.01926	2.6
190.02762	5.1
191.03516	11.6
191.07100	0.6
192.03796	0.5
193.08591	0.6
199.07597	0.6
203.03532	0.9
204.83139	0.3
209.11792	0.5
215.07196	2.7
217.01421	12.4
217.08694	0.4
218.02028	1.2
225.05519	1.0
228.04221	1.6
243.06635	29.9
244.06949	2.2
261.07693	100.0
262.08090	5.3
287.16562	0.8
305.06821	5.7
305.10361	1.3
305.13971	11.4
305.17584	3.6
305.21072	0.7
306.14221	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.07
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17949	0.3
59.01381	41.5
60.57805	0.3
62.44200	0.3
69.16816	2.3
71.48945	0.4
79.64474	0.3
79.95728	2.1
96.96014	100.0
97.06615	0.9
112.09435	0.3
135.08180	0.8
147.08171	1.6
154.70450	0.3
163.11267	0.5
165.09190	0.5
225.11325	21.7
226.11539	0.6
288.48724	0.3
305.07007	64.3
306.07281	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	305.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68249	0.7
59.01382	34.9
68.99372	2.7
68.99786	3.9
79.95747	3.0
82.60779	0.6
86.63499	0.8
91.25504	0.6
93.72615	0.6
96.96017	100.0
98.48329	0.7
135.08128	1.1
147.08138	1.0
177.84927	0.7
201.13249	0.7
225.11331	24.2
226.11691	1.5
305.07013	93.1
306.07397	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	305.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.3
57.03450	3.2
58.00595	0.9
59.01381	48.0
60.01699	0.4
61.67627	0.4
69.03441	0.7
71.01385	20.4
72.99297	1.9
73.02951	6.2
74.02488	0.5
79.95732	3.4
80.96526	0.7
81.03442	1.5
81.07107	0.5
83.01396	3.7
83.05022	1.2
85.02480	0.9
85.02959	11.1
87.00888	2.9
87.04504	1.1
89.02446	11.7
93.03462	0.9
95.01387	2.2
95.05044	1.7
96.96017	100.0
97.02962	2.5
97.06587	2.1
99.00881	2.3
99.04536	0.7
101.02449	17.5
102.02789	0.6
107.05063	0.7
109.02953	4.3
109.06602	1.1
111.00888	6.9
111.04516	1.6
113.02450	7.9
115.07659	0.5
119.03528	5.7
120.99688	0.5
121.02979	0.9
121.06684	0.5
123.00891	1.4
123.04546	0.8
124.01691	1.3
125.02454	19.6
125.06063	1.1
127.07636	0.6
129.01953	0.7
133.02971	0.5
133.06520	0.6
135.04501	0.9
135.08281	0.5
137.02440	5.7
138.03314	0.5
138.05658	4.0
139.00357	1.0
139.04021	4.1
143.03569	0.9
143.04628	0.5
143.07153	3.5
145.08698	1.0
147.08130	1.3
149.02451	0.6
149.06161	0.8
151.03995	0.5
155.03523	1.4
159.02945	1.2
159.04466	0.5
161.02469	1.2
161.04558	3.1
164.01158	1.2
165.01949	5.2
166.02533	0.5
167.03499	4.4
173.00954	0.5
173.02725	1.6
175.04039	0.7
179.02213	0.5
179.03529	3.6
181.12331	0.7
189.07683	1.1
191.07152	0.6
192.38034	0.4
192.39787	0.5
201.05466	0.7
203.03546	1.3
204.04266	0.9
215.07077	0.6
217.05290	0.6
219.06631	3.1
221.04492	1.7
223.09848	0.5
225.11319	19.4
226.11642	0.9
243.06667	0.6
261.07941	5.6
261.13565	3.0
261.16769	0.4
287.05872	1.0
287.14786	0.7
290.04251	0.6
305.06958	75.8
305.12485	8.1
305.16122	4.7
306.07251	4.5
306.16397	0.5
329.86206	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1396
Annotation	5-Oxolasiodiplodin
Peak:m/z	Relative Intensity
52.72169	0.3
58.02966	0.5
59.01367	0.5
65.00316	0.6
67.01897	0.5
68.99815	0.4
71.01380	0.5
71.05004	0.4
72.99308	0.5
76.25842	0.2
83.01397	0.5
95.01411	0.4
95.05021	0.4
96.96027	0.5
97.02937	0.4
98.22554	0.5
109.06631	0.3
110.00105	0.7
111.00883	3.5
123.00901	2.9
124.01635	1.5
125.02454	12.1
126.99545	0.3
127.00362	1.7
136.05280	0.3
136.98814	2.1
139.00378	3.6
140.01175	5.5
141.01907	0.5
149.06059	0.4
151.00409	2.1
154.99864	0.5
162.03107	0.3
168.00653	5.8
168.13937	0.3
169.01439	11.6
169.14296	0.3
170.01854	0.4
171.01527	0.3
233.08252	0.6
243.17419	0.3
246.05539	0.3
261.07675	2.9
261.11255	0.5
262.08350	1.1
267.02045	0.3
272.11530	0.3
287.16550	0.9
305.13953	100.0
306.14273	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1397
Annotation	5-Oxolasiodiplodin
Peak:m/z	Relative Intensity
65.00320	0.3
67.01892	0.5
68.99815	0.4
69.03446	0.6
71.01384	0.3
71.04991	0.5
72.99321	0.6
83.01376	0.9
87.00877	0.5
96.96021	0.4
97.02962	0.7
98.21826	0.9
109.06561	0.3
109.77779	0.3
110.00101	0.8
111.00873	3.6
123.00934	3.0
124.01674	2.0
125.02455	21.4
126.02790	0.4
127.00369	1.4
135.53290	0.3
136.98814	2.2
139.00381	4.4
140.01176	5.6
141.02043	0.3
151.00410	1.4
154.99879	0.3
168.00653	5.7
169.01439	20.9
169.14290	0.5
170.01744	0.4
192.27242	0.3
201.58817	0.3
209.83929	0.3
233.08180	0.4
249.14801	0.4
261.07678	2.8
261.11383	0.5
261.18671	0.4
262.08368	1.2
287.16595	1.0
305.13962	100.0
306.14288	7.1
306.17511	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1395
Annotation	5-Oxolasiodiplodin
Peak:m/z	Relative Intensity
55.01865	1.2
59.01376	1.6
65.00323	1.6
67.01879	2.7
68.99812	2.4
71.01379	2.4
71.28271	1.1
71.28641	1.0
72.99306	2.6
81.76822	1.0
82.00627	1.0
83.01386	4.0
96.95999	2.5
96.99303	1.2
99.00921	1.6
106.00634	1.1
110.00110	3.1
111.00896	29.6
111.01678	1.7
112.01261	1.0
123.01000	1.3
124.01665	7.6
125.02451	1.6
127.00378	10.6
135.08217	1.7
136.39757	1.0
136.98824	15.8
139.00391	26.6
140.00102	2.2
140.01176	40.9
154.99869	2.7
165.01900	2.0
165.09181	1.3
168.00655	63.4
169.01210	3.2
177.19679	1.0
185.11928	1.3
194.74869	1.1
207.10298	1.2
219.02878	1.0
219.06644	2.9
221.08234	1.5
223.67862	1.0
232.97223	1.0
233.08351	1.0
234.05373	1.7
243.17584	1.3
248.07033	1.9
261.07599	4.5
262.08267	2.0
277.10767	2.3
287.16507	3.2
305.06760	3.0
305.10342	24.8
305.13962	100.0
305.17465	8.0
305.21201	2.7
306.10815	1.7
306.14383	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	305.1393
Annotation	Tenulin
Peak:m/z	Relative Intensity
69.42708	0.5
70.59830	0.6
71.47137	0.5
93.23594	0.4
111.04543	0.6
122.03759	0.7
125.06096	0.5
136.05257	0.4
149.02437	1.2
150.03250	2.9
163.03990	0.8
168.97302	0.5
176.01300	0.6
177.01958	4.7
177.12872	0.7
178.02747	4.1
184.94792	0.5
191.03522	2.7
191.07153	0.6
192.07922	1.0
193.08725	1.1
203.07243	0.5
204.00676	4.0
205.01382	2.7
205.05103	2.8
205.08745	0.5
206.02260	5.7
206.09430	2.3
207.02647	0.5
210.01770	0.8
215.03476	1.3
219.03049	10.6
219.06584	8.7
220.03371	0.5
220.07280	1.3
229.05020	1.5
230.05841	1.5
233.04593	2.6
233.08118	0.7
233.15616	0.8
244.07433	1.8
247.06155	4.2
248.06902	33.1
249.07233	2.1
261.07648	0.8
262.08466	84.9
263.08820	5.1
277.14474	10.0
278.14905	0.9
279.57361	0.5
305.13953	100.0
306.14282	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	305.1761
Annotation	Corrin
Peak:m/z	Relative Intensity
57.03423	1.1
59.01370	3.6
61.98820	1.8
69.03462	1.3
69.06360	7.7
71.05026	36.6
80.02662	1.6
81.03466	3.6
83.05052	1.4
93.03476	1.6
95.05030	16.6
97.06625	0.9
106.04259	1.3
106.11919	0.9
107.05034	2.8
107.42657	0.9
109.02946	1.5
109.05910	1.5
109.06609	15.5
111.04525	1.4
119.05034	1.2
121.03031	0.9
121.06627	4.8
122.03754	1.8
123.08167	1.3
125.02444	1.9
127.07633	2.1
135.08157	3.7
137.06201	1.1
139.07709	1.2
145.03009	1.0
147.04503	1.7
147.08157	2.5
149.06062	1.1
150.06845	2.0
153.09232	1.0
161.06090	2.1
161.09700	1.8
165.09229	9.3
168.84158	1.0
175.07730	1.1
179.14349	1.3
189.12848	12.2
197.47734	1.0
203.14468	1.4
205.16013	8.5
218.96074	0.9
231.13759	1.4
233.11862	6.6
239.71330	0.9
243.17513	7.8
247.13263	1.0
249.15024	11.4
261.18695	2.6
263.16656	1.6
269.15454	2.2
287.16537	72.4
288.16916	4.6
289.14273	1.2
295.22006	0.8
305.17590	100.0
306.17883	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1763
Annotation	Corrin
Peak:m/z	Relative Intensity
59.01390	5.0
61.98816	2.8
69.06458	14.1
71.04664	3.6
71.05025	42.6
81.03509	2.5
93.03455	3.9
95.05051	21.1
106.85271	2.2
109.06601	15.4
119.05072	2.4
121.06604	4.6
127.07668	2.8
132.71846	1.8
135.08205	2.7
147.08127	2.5
161.06001	2.2
161.09703	2.9
165.09229	12.5
173.09502	2.0
189.12856	15.2
205.15968	11.7
231.13843	2.8
233.11855	7.3
243.17480	9.6
249.15010	8.3
261.18750	2.4
287.16541	81.1
288.16919	5.9
305.08267	2.9
305.17618	100.0
305.20987	5.4
306.17862	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	305.1762
Annotation	Corrin
Peak:m/z	Relative Intensity
50.08493	1.2
57.03454	2.4
59.01372	2.1
65.03960	2.6
71.05025	7.3
71.28780	2.0
74.58163	1.2
79.05530	12.6
93.03445	1.9
95.05033	3.5
97.06601	16.2
106.04279	7.9
107.05084	3.3
107.66031	1.6
109.06572	2.7
120.05811	5.6
121.06580	3.5
123.08163	5.7
125.02479	1.6
125.09731	17.9
129.25870	1.4
133.02980	1.5
133.06572	1.6
135.08171	100.0
136.08490	3.1
137.09750	1.7
151.11302	3.3
162.06917	1.6
183.10294	1.5
185.11810	2.8
189.12849	1.8
205.15979	5.9
207.10274	1.7
221.11903	1.6
249.14963	48.3
250.15399	2.9
263.16489	2.0
287.16547	5.6
300.61255	1.3
305.17599	73.5
306.14630	1.5
306.18018	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0283
Annotation	Resveratrol-3-O-sulfate
Peak:m/z	Relative Intensity
61.59911	0.3
65.63801	0.3
69.41297	1.7
79.95750	2.6
80.96510	2.1
96.95998	0.5
102.65555	0.3
180.12689	0.3
199.07678	0.9
205.57707	0.4
212.04799	6.2
213.05290	0.4
226.06364	10.5
227.07146	100.0
228.07491	5.7
233.07159	0.6
307.02826	32.8
307.19156	0.5
308.03143	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97431	0.3
51.53863	0.2
52.56284	0.3
53.04752	0.2
53.55747	0.2
54.13184	0.2
54.45812	0.3
59.01375	1.9
60.02034	0.3
66.89704	0.3
69.17316	1.8
78.65639	0.3
79.95737	1.6
96.90931	0.2
96.96018	100.0
97.95976	0.4
98.95604	2.6
98.96458	0.5
103.63467	0.3
123.08100	0.3
150.48369	0.3
153.09215	0.7
153.12828	0.9
165.12868	1.4
175.49806	0.3
197.11839	0.5
208.63486	0.3
209.11835	1.3
225.11330	0.7
227.12914	11.1
228.13373	0.4
286.04562	0.2
307.08615	46.8
308.08969	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	307.0859
Annotation	CHEBI:91169
Peak:m/z	Relative Intensity
59.01382	25.7
69.55387	1.6
70.50121	0.4
70.77575	0.4
79.32874	0.4
79.95752	1.0
84.32038	0.4
96.96017	100.0
98.21791	0.4
123.08209	0.6
165.12859	0.9
167.10809	1.3
227.12909	18.2
228.13231	1.3
307.08591	61.7
308.08911	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57362	0.3
59.01384	2.6
69.15158	2.1
69.15469	0.5
79.95728	1.6
85.48771	0.3
96.96017	100.0
98.21836	0.7
98.95692	0.3
149.98547	0.3
153.12816	0.3
155.52654	0.3
156.52495	0.3
165.12883	3.0
177.73502	0.3
185.61998	0.3
197.11969	0.7
209.11800	1.0
227.12914	13.4
228.13293	0.6
238.21515	0.3
307.08591	52.7
308.08932	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	307.119
Annotation	Monocerin
Peak:m/z	Relative Intensity
52.73156	0.4
68.99807	2.7
70.84325	0.5
79.01896	3.8
81.03452	1.0
81.45165	0.5
85.06602	0.5
87.04517	0.7
87.82933	0.5
95.05080	0.7
97.02941	1.1
109.06607	0.7
111.04533	12.7
115.94162	0.4
119.52861	0.6
123.08206	4.4
125.02444	0.6
135.04538	1.0
139.04012	1.5
145.06570	0.9
147.08151	4.5
149.06090	1.3
151.07590	0.8
163.07640	1.0
165.01894	1.6
165.09247	3.1
166.02699	0.5
167.03511	4.0
167.07137	1.5
173.06064	1.9
175.07639	1.0
190.99899	1.2
191.07143	5.8
193.01434	3.8
193.08763	1.1
204.04523	0.5
209.08209	3.8
217.05066	2.2
219.03221	1.0
219.06647	7.9
220.03745	5.7
220.06953	0.7
235.06125	35.3
236.06473	2.3
237.07693	100.0
238.07996	5.2
247.09706	0.8
265.14331	0.6
279.12372	3.5
307.11917	51.6
308.12216	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1188
Annotation	11beta-Hydroxycurvularin
Peak:m/z	Relative Intensity
52.84892	0.7
54.54998	0.7
55.01900	1.1
59.01372	0.8
62.97443	0.7
70.93752	1.6
71.05021	1.8
73.15721	0.8
75.33972	0.7
79.01896	3.1
83.05027	0.7
85.06612	0.9
87.04530	2.0
95.05022	2.6
97.02943	1.7
107.04961	1.0
109.03003	0.7
109.06592	1.4
111.04530	21.2
123.08177	25.1
124.01688	0.9
124.08486	1.0
125.05967	0.9
131.52766	0.7
135.04529	1.7
137.42087	0.8
138.03252	0.9
139.04016	9.6
139.07672	0.9
140.86282	0.9
146.53021	0.7
147.08144	2.3
149.06151	0.9
151.07675	4.6
163.07640	2.2
165.01952	2.0
165.09209	6.3
166.02693	3.6
167.07156	5.4
173.06116	1.0
191.03416	0.8
191.07147	2.6
193.01448	6.8
193.08624	2.1
194.02148	2.9
195.06660	1.5
207.06554	1.3
207.10326	0.8
208.07500	0.7
209.08192	17.2
210.08557	0.9
215.10881	1.1
217.12354	3.2
219.06720	1.1
219.13870	1.7
220.03775	3.7
221.08191	2.6
226.01134	1.0
233.11830	9.0
235.06134	11.1
235.13403	2.9
236.06888	4.9
246.05449	1.6
261.11319	7.4
263.12939	8.0
279.12393	73.5
280.12717	4.7
289.10867	2.5
289.18503	0.9
307.11908	100.0
307.15213	4.8
307.19290	3.1
307.22644	8.7
308.12292	5.9
326.07132	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.5
59.79761	0.2
70.97456	0.2
71.29193	0.4
71.82300	0.2
73.26054	0.2
79.95734	1.6
96.96017	100.0
106.83728	0.3
111.04517	0.9
113.02442	0.8
114.81073	0.2
122.03780	0.2
178.57210	0.3
181.16000	1.0
192.56038	0.3
193.08722	0.6
195.10254	0.5
210.42894	0.2
227.16539	14.2
228.16879	0.6
263.13156	1.0
304.38062	0.2
307.12195	48.7
308.12598	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
59.96722	0.4
63.41973	0.4
71.28468	0.6
74.99075	7.4
75.96233	0.4
91.02213	3.3
93.00151	2.1
93.46844	0.4
107.36171	0.4
125.12426	0.4
139.14301	0.5
143.05373	0.4
149.00974	3.1
159.08459	6.9
161.06430	1.8
165.01921	0.4
192.98080	0.7
196.27640	0.4
206.99712	1.8
209.01236	2.9
217.07199	0.7
223.02850	50.5
224.02943	3.0
235.09750	0.5
241.03883	1.0
265.14481	1.4
267.98212	0.4
274.68878	0.5
275.06110	0.4
289.07599	2.0
291.09128	100.0
292.09229	9.9
307.12222	2.0
307.15057	2.1
307.18793	0.6
309.10306	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
74.99075	6.1
91.02232	2.3
93.00138	2.2
95.58175	0.4
149.00983	2.9
159.08484	6.9
161.06425	2.1
163.60153	0.4
192.98137	0.5
195.21045	0.4
206.99692	1.8
209.01212	2.7
217.07196	0.7
223.02847	50.5
224.02876	3.2
241.03883	0.9
289.07578	2.1
291.09116	100.0
292.09265	8.9
307.12268	1.9
309.10107	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1399
Annotation	NSC-224070
Peak:m/z	Relative Intensity
55.01873	2.7
57.03450	1.4
58.00587	2.2
59.01380	55.3
69.06966	2.0
69.07388	2.0
71.01384	30.1
72.99319	3.0
73.02962	4.2
83.01402	2.9
83.22712	0.6
85.02954	10.2
87.00883	2.4
89.02449	24.2
95.01396	2.5
96.96024	5.0
98.95580	0.9
99.00886	2.4
99.08165	23.9
101.02448	24.1
105.35565	0.6
111.00910	3.1
113.02452	11.2
113.03219	0.4
113.09740	0.7
119.03501	8.1
125.02428	0.8
127.07662	3.3
129.09229	2.9
131.03496	1.0
141.09227	1.9
143.03488	1.0
143.07124	0.7
145.08714	67.9
146.09068	2.3
149.04546	0.8
159.02975	0.9
161.04558	2.4
179.05652	0.8
187.09756	2.5
200.32295	0.5
227.12918	0.6
263.09332	0.9
268.56705	0.5
300.57043	0.6
307.08282	4.4
307.14011	100.0
308.14319	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.14
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	6.0
57.03434	4.4
58.00591	4.4
59.01382	93.9
67.91669	1.8
68.34309	1.4
69.03446	2.0
69.34221	6.6
69.34628	2.8
71.01388	100.0
72.99310	6.6
73.02955	20.7
74.99078	1.6
80.96523	1.5
83.01399	10.5
85.02957	32.6
87.00894	5.1
87.04508	6.8
89.02451	67.0
91.27789	1.5
95.01418	6.2
96.96012	3.4
98.22528	1.9
98.95629	2.4
99.00369	1.4
99.00901	10.2
101.02448	72.5
113.02465	38.1
119.03517	23.9
119.05042	5.4
120.03944	1.6
120.99667	3.0
125.02457	4.0
126.02726	1.6
129.01965	2.6
135.04532	8.1
136.08655	1.5
137.02493	2.1
142.97874	8.6
143.03529	5.9
145.08725	18.8
149.04547	1.9
159.03011	5.4
161.04559	31.4
179.03526	8.9
179.05614	7.0
247.41188	1.4
262.80124	1.6
307.07861	4.6
307.14023	56.4
307.17340	2.1
308.14258	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	307.1894
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48125	0.7
53.33879	0.5
60.70751	0.5
69.06579	1.9
69.06998	3.6
81.74960	0.6
86.55123	0.6
92.60396	0.5
92.99103	0.6
96.40936	0.5
104.44475	0.5
113.15962	0.7
116.18672	0.6
133.02931	0.8
183.13940	0.7
211.17007	2.5
223.13130	0.6
237.18555	0.7
239.20175	23.9
240.20433	1.7
255.13606	0.7
257.15289	2.8
259.16837	3.7
271.13007	0.8
279.19464	3.6
281.10501	0.6
289.14212	1.7
289.17865	0.9
291.15744	8.3
293.17261	1.6
299.94189	0.6
307.18927	100.0
308.19412	6.0
321.16708	0.8
323.18564	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	307.1917
Annotation	Soraphen O
Peak:m/z	Relative Intensity
55.64761	0.9
58.02971	1.1
59.01373	1.7
69.35986	0.9
69.36342	5.7
71.01345	1.0
71.05035	6.0
80.02711	1.1
81.03452	2.1
83.05028	2.7
93.03483	1.4
95.05032	2.5
98.03750	2.7
98.22531	1.7
106.04250	1.1
109.06596	16.3
111.04523	7.0
111.08161	1.6
121.06714	1.0
123.08221	1.7
127.07700	4.8
137.09727	1.3
143.10808	1.8
145.06572	1.1
149.09706	2.2
167.10782	2.8
171.66681	0.9
177.12952	1.0
179.10844	1.7
191.14392	1.3
195.13907	5.1
206.75244	1.0
207.17586	1.0
235.13293	1.7
245.19247	4.4
245.21341	0.9
249.14970	1.1
251.16493	1.3
271.17120	1.8
287.16455	2.9
289.18103	100.0
290.18494	8.5
307.19159	12.6
308.19019	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1918
Annotation	Soraphen O
Peak:m/z	Relative Intensity
51.68292	2.2
57.03439	4.4
57.98745	2.4
59.01374	4.7
63.55757	2.1
63.95206	2.1
69.03478	3.2
69.09657	12.3
69.10071	7.7
71.05009	4.3
80.02677	7.5
81.03445	6.7
83.05029	15.2
84.02176	3.1
85.06593	7.2
87.00944	2.1
93.03440	3.6
93.07155	2.3
95.05029	4.6
97.06544	6.9
98.22530	4.2
106.04245	11.1
107.08649	3.1
109.02967	3.1
109.06621	4.0
111.08112	2.9
121.06601	18.2
123.08160	11.3
125.09733	24.3
127.07632	4.6
127.11276	3.3
135.08174	61.0
137.09743	11.9
142.93457	2.2
145.10843	2.2
151.11276	5.9
153.09216	18.2
155.10818	2.6
167.10754	5.1
171.08810	4.3
171.10289	88.6
177.12820	3.1
179.07106	3.0
185.11852	48.8
186.12253	2.5
191.14490	2.5
193.12326	10.3
199.13380	6.7
209.11746	8.1
211.13399	23.3
212.10487	4.2
245.19199	14.4
261.18472	3.6
263.20227	10.8
271.17130	5.9
279.19681	8.7
289.14426	9.5
289.18088	67.3
290.18585	2.6
307.12125	3.1
307.15598	11.1
307.19128	100.0
308.19400	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	6.7
59.01371	3.3
69.23769	8.7
71.01379	2.1
71.05036	10.7
71.73290	1.0
73.50188	1.1
80.02692	2.3
81.03449	1.4
83.05022	3.5
85.06602	10.0
85.92172	1.1
88.52081	1.2
91.18458	1.3
93.07096	2.4
94.26771	1.4
95.05035	2.1
97.06594	7.8
99.08169	2.2
106.04242	1.5
107.05045	1.4
107.08656	1.9
109.06608	15.8
111.04549	5.8
111.08179	2.6
112.05334	1.8
121.06623	7.7
123.04494	2.1
123.08160	6.2
125.06087	15.3
125.09727	8.8
135.08189	4.9
137.02486	2.1
137.09734	16.7
138.03259	3.3
139.04045	2.7
149.09709	1.3
150.06879	1.3
151.04030	1.8
151.07692	2.3
151.11322	5.9
153.05574	1.5
153.09247	6.1
155.10823	10.6
163.07628	1.8
163.11295	2.2
164.08438	2.8
165.09177	5.3
165.12827	7.4
167.10886	1.8
171.10271	20.5
173.33614	1.4
179.10826	7.9
180.04199	1.7
181.08719	10.3
181.12303	6.8
185.11847	22.8
191.10791	2.2
191.14432	3.7
193.12373	12.4
209.08223	20.3
209.11841	9.4
211.13466	2.5
211.84924	1.3
221.08171	1.7
223.09773	44.4
224.10199	2.0
233.11899	1.5
235.09697	1.6
235.13397	1.9
239.09311	1.5
245.19098	10.4
261.18701	2.3
263.12860	4.6
263.16592	2.7
263.20178	4.0
279.12378	3.3
279.19800	4.0
279.86636	1.5
289.18091	16.0
290.18561	1.5
307.15524	100.0
307.19189	41.3
308.15802	9.7
308.19492	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	307.1917
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
55.01868	4.7
57.03440	4.4
63.53567	1.2
64.92078	1.1
65.03965	67.2
66.04292	1.4
69.03471	1.9
69.16325	8.4
70.83275	1.2
71.05026	39.9
83.05041	2.9
97.06594	71.0
98.22578	2.5
99.33607	1.2
119.08698	12.6
121.06605	100.0
122.06934	2.3
123.08156	4.6
125.09734	45.5
137.09689	3.9
141.12869	3.4
169.08740	1.5
185.11836	79.6
186.12170	3.0
209.11838	36.9
209.13780	2.7
210.12173	1.3
211.13394	35.7
212.13637	2.0
235.13390	91.0
236.13760	4.9
263.16464	1.5
268.92722	1.7
289.18124	15.0
307.15652	2.3
307.19086	26.1
307.22482	1.1
308.19183	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	8.7
62.98074	3.7
69.75826	3.8
71.29453	4.8
81.03468	6.2
83.01421	4.0
95.05062	6.0
97.02936	7.1
97.06612	9.8
109.06649	4.6
123.04527	5.4
123.08176	8.9
125.09743	15.4
135.08194	7.2
136.22849	3.8
137.09747	10.4
142.02771	6.6
163.11290	14.0
170.86891	4.1
179.10916	4.7
181.12401	5.3
185.11870	27.5
191.14442	22.0
207.10332	10.1
209.11830	36.5
225.11322	14.3
233.15474	11.3
245.19106	41.2
246.19437	4.7
250.11699	3.9
263.20123	5.0
271.74149	3.8
289.18127	100.0
290.18365	12.3
307.19260	67.4
307.22794	13.3
308.19229	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	307.1917
Annotation	(10E,12E)-9,14-Dioxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03452	9.5
59.01367	3.7
69.10025	2.7
69.10449	4.1
71.05022	1.9
80.02667	1.8
81.03470	2.5
83.05025	3.8
89.77052	0.8
95.05030	3.6
97.06595	9.5
98.22546	1.9
99.08163	29.2
100.08571	0.9
103.42180	1.0
109.06599	13.6
113.06048	0.8
123.08166	4.2
125.09737	31.6
135.08185	2.2
137.09731	95.9
138.10043	3.0
139.11276	2.1
163.11275	10.5
179.14441	10.4
183.10268	1.3
185.11810	12.8
207.10260	13.4
209.11972	1.3
223.13391	100.0
224.13718	5.1
245.19115	3.2
263.16486	0.9
263.20001	1.1
265.18088	29.2
265.20850	1.9
266.18408	1.3
273.99747	1.0
289.18045	9.7
290.18350	1.2
292.07507	1.4
307.19177	61.9
307.22537	3.0
308.19571	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	307.1918
Annotation	Ostopanic acid
Peak:m/z	Relative Intensity
57.03460	23.9
59.01373	5.9
70.61463	4.4
71.73472	1.7
80.02672	2.5
81.03463	2.9
83.05029	6.5
88.90890	1.8
95.05037	4.2
97.06601	9.7
99.08169	3.4
108.65257	2.1
109.06600	4.7
111.04530	2.4
111.08164	35.0
113.09738	47.2
125.09742	4.0
132.72598	1.7
137.09708	6.3
149.09735	40.9
151.11302	76.9
151.98927	1.8
152.11598	3.4
153.12883	4.5
163.11269	3.8
165.12860	12.7
171.10252	7.8
179.14421	4.3
193.08696	22.6
209.11845	100.0
210.12189	4.2
223.13396	32.8
224.13734	2.1
245.18916	3.1
265.08618	6.9
265.18130	24.8
289.18115	6.8
293.08243	5.4
307.19165	74.6
308.10742	3.9
308.19470	9.3
315.44247	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	309.1135
Annotation	Harringtonolide
Peak:m/z	Relative Intensity
59.01386	1.0
69.43988	3.1
75.72781	0.7
75.82833	0.7
79.95759	0.9
111.04485	1.0
117.03521	1.0
123.04565	5.7
130.25513	0.9
131.05031	1.6
132.02115	0.9
133.03006	4.1
145.02992	10.1
146.03729	3.0
147.04492	1.7
148.05267	1.2
149.06084	21.1
187.07748	1.1
219.08101	1.4
220.08908	2.4
221.09705	5.8
222.06850	1.2
222.10014	1.2
223.07657	3.7
229.08717	14.4
235.07619	1.0
237.05521	1.3
237.09184	5.0
238.09990	28.4
238.88023	0.9
239.10306	1.8
247.07726	0.9
248.08444	1.4
249.09227	15.0
250.09792	1.7
251.07091	3.0
259.07486	0.9
261.09125	1.3
262.06238	1.1
263.07162	1.6
264.07907	1.9
265.08691	27.3
266.09473	18.3
275.06918	0.9
276.07751	1.8
277.08722	23.2
278.09479	46.2
279.06699	3.8
279.10156	12.0
292.07462	8.0
293.08218	75.7
294.08978	100.0
295.09262	5.9
309.04596	7.8
309.11313	64.0
309.17145	2.4
310.04709	0.8
310.11676	4.2
329.48187	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1135
Annotation	7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one
Peak:m/z	Relative Intensity
55.01889	3.2
59.01367	3.4
69.03445	5.5
70.57319	4.2
76.75604	2.4
83.05033	2.9
97.02977	12.2
99.00891	58.5
105.74443	2.3
106.64689	2.3
109.02956	4.9
117.01911	3.2
119.08654	6.8
121.02970	3.5
125.09749	3.2
134.03735	7.7
135.04546	5.3
135.08154	2.7
137.06137	3.4
137.09740	18.2
137.28874	2.0
145.02963	4.6
146.03716	5.4
147.04509	6.7
149.06078	9.4
151.04031	3.6
151.07658	13.5
151.93048	2.0
152.08487	15.3
153.09140	3.0
155.10774	4.5
159.04498	4.3
163.11348	3.7
165.12886	3.8
171.10280	54.4
172.05321	30.6
173.06044	8.4
183.10208	2.7
184.07466	3.0
185.06120	3.9
185.11874	12.2
186.06938	2.6
190.10037	4.3
201.11317	2.9
209.11774	2.5
209.15492	50.5
213.11240	2.9
221.09650	2.7
223.07578	6.7
227.12859	2.5
237.09140	2.9
238.09897	9.2
247.20648	7.7
249.09245	6.5
250.06366	3.0
251.07167	3.5
253.05052	3.2
261.05560	2.7
262.06454	3.9
265.08633	10.8
265.18134	3.4
266.09454	7.8
273.18347	5.0
275.07077	3.7
276.07889	5.1
277.08667	13.7
278.06683	3.4
278.09485	20.5
279.06567	16.1
279.09549	2.9
291.19669	65.0
292.07428	5.8
292.19943	3.8
293.08179	40.9
294.05615	5.1
294.08990	100.0
295.09357	4.2
309.11279	57.6
309.17105	22.0
309.20721	48.6
310.11618	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.4
67.01905	0.7
69.11610	3.6
69.12017	1.7
83.01391	1.5
85.02971	0.9
93.03455	1.3
95.05047	1.2
98.41150	0.7
105.03460	0.9
108.02202	2.5
108.91961	0.9
109.02958	3.5
109.06612	2.0
111.04528	12.8
117.03504	0.8
119.05042	0.8
121.02965	4.6
122.03793	1.2
123.04524	1.5
125.06131	1.0
130.04253	1.0
131.05046	0.7
133.02962	0.8
134.03740	7.5
135.04561	3.7
143.05087	1.0
145.02966	5.3
146.03705	1.3
147.04550	3.2
148.05292	1.5
149.06102	13.5
158.03738	3.6
159.04512	3.7
159.42432	0.7
159.83711	0.9
160.05296	2.4
171.04541	2.8
172.03833	1.6
172.05315	31.6
173.06091	7.2
174.06459	0.7
178.06265	0.8
179.07132	3.6
181.70844	0.7
182.34137	0.6
185.06075	3.6
186.06783	1.1
188.04788	0.8
196.36084	0.7
197.06001	0.8
209.06146	0.8
219.08244	0.9
220.08917	1.5
221.09775	2.5
222.06978	1.2
223.07741	4.7
231.08203	0.9
233.06108	2.4
234.06908	1.5
235.07608	1.5
237.09215	4.3
238.10008	11.8
247.07755	2.3
248.08453	1.1
249.05482	1.4
249.09148	4.3
249.11404	8.1
250.06476	1.7
250.09814	1.3
251.07164	5.2
253.05077	2.2
259.07620	0.9
261.05573	3.1
262.06223	2.0
263.07333	0.8
264.04413	1.0
264.07825	0.9
265.04980	1.0
265.05594	1.1
265.08698	11.5
265.14453	1.1
266.09424	9.6
267.12448	2.2
275.07224	2.7
276.07919	3.6
277.08701	15.0
278.06253	1.2
278.09467	20.0
279.06659	10.8
279.10187	5.6
285.70078	0.8
292.07468	3.4
292.10455	0.7
293.08212	34.9
294.09003	100.0
295.09290	8.6
309.11102	58.0
310.11475	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	309.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54259	0.8
53.30489	0.8
55.12539	0.9
63.38432	0.9
69.05077	7.6
79.93956	0.9
108.13213	0.9
111.04537	1.2
133.02940	3.9
133.67931	1.0
135.04547	1.0
139.07607	2.0
145.02977	12.3
146.03714	2.0
148.05264	1.9
149.06087	25.9
159.04547	1.2
172.05270	4.8
185.06071	1.5
187.03926	1.5
197.08037	1.0
209.06122	1.0
219.08058	1.7
220.08893	2.4
221.09680	6.4
223.07565	3.6
224.08299	1.1
228.36160	0.9
233.09875	0.9
234.06802	0.9
235.07666	1.9
236.08363	0.9
237.05460	1.0
237.09166	4.6
238.09991	32.0
239.10342	2.1
247.07547	1.3
248.08368	2.1
249.09181	13.3
250.09688	1.3
251.07079	2.2
261.05411	1.1
261.09128	1.3
264.07913	1.3
265.08707	24.4
266.09470	21.0
267.09897	1.1
275.07040	1.2
276.07852	2.2
277.08704	21.1
278.09473	42.8
279.06610	3.2
279.10144	12.2
292.07452	7.8
293.08209	72.8
294.08975	100.0
295.09338	8.4
309.11288	63.1
310.11609	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	309.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.4
67.01905	0.7
69.11610	3.6
69.12017	1.7
83.01391	1.5
85.02971	0.9
93.03455	1.3
95.05047	1.2
98.41150	0.7
105.03460	0.9
108.02202	2.5
108.91961	0.9
109.02958	3.5
109.06612	2.0
111.04528	12.8
117.03504	0.8
119.05042	0.8
121.02965	4.6
122.03793	1.2
123.04524	1.5
125.06131	1.0
130.04253	1.0
131.05046	0.7
133.02962	0.8
134.03740	7.5
135.04561	3.7
143.05087	1.0
145.02966	5.3
146.03705	1.3
147.04550	3.2
148.05292	1.5
149.06102	13.5
158.03738	3.6
159.04512	3.7
159.42432	0.7
159.83711	0.9
160.05296	2.4
171.04541	2.8
172.03833	1.6
172.05315	31.6
173.06091	7.2
174.06459	0.7
178.06265	0.8
179.07132	3.6
181.70844	0.7
182.34137	0.6
185.06075	3.6
186.06783	1.1
188.04788	0.8
196.36084	0.7
197.06001	0.8
209.06146	0.8
219.08244	0.9
220.08917	1.5
221.09775	2.5
222.06978	1.2
223.07741	4.7
231.08203	0.9
233.06108	2.4
234.06908	1.5
235.07608	1.5
237.09215	4.3
238.10008	11.8
247.07755	2.3
248.08453	1.1
249.05482	1.4
249.09148	4.3
249.11404	8.1
250.06476	1.7
250.09814	1.3
251.07164	5.2
253.05077	2.2
259.07620	0.9
261.05573	3.1
262.06223	2.0
263.07333	0.8
264.04413	1.0
264.07825	0.9
265.04980	1.0
265.05594	1.1
265.08698	11.5
265.14453	1.1
266.09424	9.6
267.12448	2.2
275.07224	2.7
276.07919	3.6
277.08701	15.0
278.06253	1.2
278.09467	20.0
279.06659	10.8
279.10187	5.6
285.70078	0.8
292.07468	3.4
292.10455	0.7
293.08212	34.9
294.09003	100.0
295.09290	8.6
309.11102	58.0
310.11475	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	309.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77588	1.3
57.38955	1.3
59.01373	6.5
67.01885	2.8
68.99818	3.0
70.06138	1.5
81.03458	7.4
81.07092	1.9
83.01402	4.5
83.05025	2.0
85.02941	9.1
87.04488	2.3
91.01971	1.3
95.01385	1.7
96.02164	2.3
98.21731	3.6
109.06592	12.0
111.00900	15.7
111.04530	100.0
111.08199	1.9
112.04872	2.0
113.06075	2.4
122.03735	2.4
123.04569	2.1
123.08176	6.2
125.06093	68.0
125.09707	1.5
125.75697	1.4
126.06387	1.6
127.07674	2.3
135.08163	2.5
137.06111	2.1
139.07655	4.0
150.03223	2.5
151.07640	5.4
153.09218	3.6
155.07158	4.9
164.04810	2.0
165.05585	3.5
169.08661	3.3
175.02055	1.5
178.06313	3.1
179.05684	3.0
179.07143	30.2
179.08604	2.7
181.05048	3.0
183.06743	1.6
191.03444	1.4
193.06921	1.6
193.08711	29.7
195.06683	2.8
197.08220	2.3
207.06567	2.5
209.04532	2.0
221.04703	1.4
221.15398	1.3
222.08958	1.7
223.06154	6.5
237.07690	3.5
247.13486	6.9
249.11333	27.8
265.14545	7.4
267.12418	9.4
309.13467	91.6
310.13785	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	309.1346
Annotation	Fusarentin 6,7-Dimethylether
Peak:m/z	Relative Intensity
55.01899	0.6
58.01601	0.5
60.41398	0.5
64.15534	0.5
66.77116	0.6
67.65203	0.6
69.13110	1.4
69.13520	3.8
71.01319	0.5
71.06863	0.6
96.73721	0.6
97.06596	2.5
135.08180	9.7
155.61551	0.6
163.07669	2.5
167.10794	1.4
179.07146	100.0
180.07513	4.4
181.08737	2.2
192.04347	1.6
207.06633	23.1
208.06992	1.3
222.09018	21.1
222.12527	11.3
223.09387	0.9
226.08401	2.2
237.14973	96.6
238.15300	5.8
247.13400	0.7
256.69931	0.6
265.14465	47.8
266.14825	3.5
296.27249	0.5
309.13461	77.8
309.20871	1.8
310.09048	0.5
310.10272	0.6
310.13754	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1346
Annotation	Fusarentin 6,7-Dimethylether
Peak:m/z	Relative Intensity
51.59785	0.6
54.66827	0.5
57.03438	1.1
57.82103	0.6
59.01386	3.5
68.62785	0.6
68.99798	0.8
69.03449	0.7
71.05025	1.2
73.02969	0.6
81.03450	1.1
83.01389	1.2
83.05013	1.6
85.02956	4.5
85.06595	12.2
87.04514	3.9
95.01395	0.7
95.05045	4.0
97.06608	1.9
98.21789	1.2
107.05041	1.2
109.02963	3.9
109.06590	0.9
110.03777	0.9
111.00867	2.1
111.04527	11.6
111.08169	1.4
113.02455	1.4
113.06106	1.4
121.06586	0.6
122.03815	0.7
123.00872	1.7
123.04515	1.8
123.08161	1.9
124.05334	0.6
125.02448	4.8
125.06091	6.4
125.09727	1.3
135.00902	0.7
135.08150	2.1
136.98814	0.8
137.02460	1.6
137.06078	2.6
139.00366	0.7
139.04056	0.7
139.07664	2.1
140.01138	1.4
141.05592	0.7
141.09219	1.7
145.02969	0.6
149.02528	0.7
149.06155	0.7
151.00385	1.0
151.03984	1.7
151.07616	1.5
153.05569	1.1
153.09140	0.9
155.07159	2.6
161.06046	1.0
163.04022	1.3
165.05577	2.9
166.02744	0.7
167.03571	0.5
167.07234	0.6
169.01453	5.3
171.10294	1.0
173.11850	1.3
177.01962	1.8
177.05591	0.8
177.09238	1.4
178.06363	1.4
179.07159	6.7
180.07628	0.6
181.01472	0.7
181.05070	6.4
181.08722	0.7
182.02205	1.4
183.06633	20.0
192.07983	2.9
193.08694	2.4
195.02916	0.6
195.06601	2.6
195.10245	0.6
197.08202	5.1
197.11890	1.1
205.05099	2.0
207.06535	1.0
207.10249	0.8
208.07393	0.7
209.08142	3.3
220.07433	2.8
221.08139	3.9
221.11813	1.5
222.08815	0.7
223.06087	2.8
223.13228	0.8
224.06938	8.0
225.07497	0.7
225.46036	0.7
235.09740	1.6
235.13344	0.8
237.07605	0.7
238.08430	1.3
247.13452	1.5
248.06889	3.0
248.10556	0.9
249.11325	8.5
251.09572	1.0
263.12885	1.7
265.10873	0.9
265.14453	1.6
267.12460	0.9
291.09061	1.2
291.12399	22.9
291.19559	1.6
292.12677	1.4
293.08337	0.9
294.05826	0.6
294.08786	1.5
308.59473	0.9
309.09900	11.7
309.13431	100.0
309.16980	6.2
309.20392	11.4
309.59891	3.9
310.13867	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	309.1347
Annotation	Fusarentin 6,7-Dimethylether
Peak:m/z	Relative Intensity
50.07105	0.6
53.69107	0.5
57.57063	0.5
62.55389	0.5
69.02329	0.5
69.09377	4.6
74.35001	0.5
79.95654	0.7
87.04443	0.7
96.96031	4.3
97.06524	0.7
99.32412	0.6
111.04500	3.0
123.08168	2.7
139.03917	0.8
141.05544	1.2
150.03238	1.1
151.03905	0.9
151.07576	1.9
152.08353	1.0
153.09172	0.6
165.09158	2.2
177.01947	3.2
177.09161	0.6
178.02611	1.7
179.07043	1.3
191.07120	0.9
192.07895	3.2
193.08623	2.0
204.00529	1.4
205.01408	2.4
205.05103	4.2
206.02130	2.0
207.06561	0.6
209.06427	0.7
209.08226	9.3
209.15437	2.7
215.03525	1.3
219.06662	3.2
220.07356	2.5
221.08171	0.9
221.15598	1.0
230.05815	3.4
233.04559	2.5
235.06131	0.8
237.07692	0.9
247.06085	1.0
248.06903	100.0
249.07245	5.5
257.60226	0.6
263.12930	3.5
265.14490	2.9
265.17923	0.6
276.17401	0.6
291.12396	55.4
292.12714	3.4
309.13541	50.2
309.17291	10.2
310.13940	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	309.1347
Annotation	Pectinolide A
Peak:m/z	Relative Intensity
53.55338	0.4
59.01377	5.5
64.78915	0.6
65.00312	0.8
67.01900	0.9
67.05518	1.8
68.99805	1.6
69.03454	0.5
69.24900	4.1
70.25586	0.5
81.03469	3.4
83.01393	2.7
85.02962	4.8
85.06603	1.4
87.00888	1.2
87.04523	1.3
91.01893	1.3
92.02720	0.6
95.01389	1.3
95.05022	0.9
96.02222	0.9
98.03742	0.7
107.08676	1.0
108.02197	1.2
109.02951	1.5
109.06602	9.8
111.00893	9.7
111.04529	100.0
112.04849	2.9
113.06053	1.3
119.05040	1.2
122.03775	0.7
123.08141	0.9
125.06081	2.2
125.09703	1.3
127.07611	0.5
133.02974	1.2
135.00894	0.8
135.04509	0.5
135.08185	1.3
136.05312	1.0
137.06079	1.7
151.07646	4.3
153.09224	4.3
163.00377	2.6
163.04008	1.3
164.04782	1.5
165.01932	0.8
169.08669	3.5
178.06377	2.7
178.10059	0.6
179.07150	30.7
180.07494	1.2
181.05069	2.2
183.06616	1.2
191.06976	0.6
195.06630	1.2
197.08191	1.7
205.05232	0.7
206.05859	1.2
207.02942	0.8
207.06622	1.1
208.07384	0.8
209.04556	1.8
221.15363	0.9
223.06100	3.0
225.07904	0.7
247.13472	3.4
249.08926	1.1
249.11333	17.6
250.11787	1.5
265.14395	3.2
267.12445	5.6
309.13458	55.7
310.13837	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1531
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03326	3.3
81.53040	0.3
87.04519	1.0
88.77155	0.3
92.55151	0.3
95.05051	0.3
96.95965	0.5
98.34818	0.3
99.00864	0.4
103.17004	0.4
111.07380	0.3
111.08171	0.4
125.06054	0.4
135.04535	0.3
137.09682	0.4
139.07658	0.3
148.05313	39.0
149.05632	2.2
151.04016	0.6
151.07689	0.9
152.08432	0.8
163.04156	0.4
165.05595	1.0
169.05098	1.4
171.10223	0.4
179.01729	7.7
179.18353	0.3
180.04294	100.0
181.04631	3.4
189.60048	0.3
196.01990	0.5
197.02812	0.8
197.11806	0.5
209.15509	2.0
210.19858	0.3
225.07710	0.5
257.15405	0.7
265.18091	0.5
265.21622	0.5
273.13199	0.4
291.19708	1.7
294.09027	1.9
295.09439	0.5
309.11447	0.9
309.14642	2.1
309.20197	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	309.1711
Annotation	Mairetolide C
Peak:m/z	Relative Intensity
52.53770	0.5
57.03445	0.5
68.89074	0.4
71.05042	0.6
71.27773	0.4
73.02953	34.8
77.20136	0.5
83.46161	0.5
85.02918	0.5
90.34028	0.5
95.01343	0.5
95.05072	0.6
100.99533	0.6
113.02462	0.7
124.64893	0.5
125.06084	1.5
129.09160	0.8
181.08754	1.1
195.13925	2.8
197.08220	2.1
207.10307	1.8
209.08253	2.6
219.06662	2.2
221.11823	1.1
234.08971	0.9
235.13409	7.0
249.11349	0.8
251.09294	1.2
251.16527	1.2
251.63289	0.5
277.14462	17.8
278.14767	0.9
291.12463	1.7
291.19580	0.9
309.13522	12.2
309.17105	100.0
309.20724	14.0
310.13956	0.4
310.17435	7.7
310.20786	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39634	0.6
71.04979	0.7
80.02657	1.1
83.04998	2.6
84.02140	1.0
87.04479	0.6
96.95973	1.4
99.08152	1.1
125.06059	0.7
137.09732	4.6
138.29471	0.6
139.07671	0.6
139.11208	0.8
151.07651	0.9
152.08505	0.8
155.10808	4.3
169.05054	1.3
171.10283	4.8
179.07045	1.4
179.47717	0.6
189.09213	0.9
190.02759	0.9
190.09927	0.8
192.04395	0.6
193.12325	2.3
203.03755	0.6
205.05069	4.1
205.08711	1.3
207.06641	2.0
209.15337	0.9
218.05849	2.2
232.07376	1.8
233.08192	86.4
233.15462	2.2
234.08727	5.2
237.07658	2.5
247.09749	38.3
247.20546	0.8
248.10190	2.0
262.12106	97.4
263.12491	6.5
263.20230	1.0
265.21765	0.8
268.26096	0.7
277.14474	15.9
278.14761	0.8
291.19650	8.7
294.08972	10.1
309.11353	4.3
309.17145	100.0
309.20676	8.1
310.17490	7.7
310.20859	1.2
324.93298	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.171
Annotation	Neobritannilactone A
Peak:m/z	Relative Intensity
51.67340	0.5
53.79618	0.4
54.63765	0.4
57.03450	1.2
57.60083	0.4
59.01383	13.0
67.05540	0.5
69.53455	1.1
69.53872	1.7
71.01370	0.5
71.05003	0.7
77.33250	0.4
83.05045	1.1
85.06602	4.0
87.04517	1.7
95.05062	0.5
97.06574	0.8
109.02921	0.7
109.06618	1.2
109.11500	0.4
109.98193	0.5
111.04513	2.2
113.09734	5.0
113.92016	0.5
115.07601	0.5
123.04556	0.6
123.08189	0.7
125.02466	1.1
125.09747	2.2
135.08192	0.8
140.27498	0.5
141.09308	0.5
149.09720	1.8
151.07697	1.0
151.11330	0.4
153.09206	0.9
153.12875	0.5
154.02882	0.7
155.07149	0.8
163.03970	1.1
165.12881	0.5
166.06380	0.6
177.05612	1.6
177.09198	1.5
179.07143	4.4
181.01241	0.5
181.08720	20.0
181.12312	1.0
182.02245	0.7
182.08954	0.6
183.06624	1.5
185.11804	0.5
187.07422	0.5
190.42436	0.5
193.08713	21.4
194.09087	1.3
195.06638	11.6
195.13960	2.1
197.08241	1.6
197.11693	0.5
205.05093	0.6
205.12256	0.6
207.10320	0.8
211.13387	0.6
221.08258	0.8
223.06120	18.6
223.08313	1.0
223.13376	2.7
224.06805	4.9
235.13319	0.7
247.20595	0.7
248.06953	1.1
249.15004	1.4
250.15819	1.3
261.24353	0.5
265.18094	43.0
266.18439	2.9
291.12573	4.0
291.16077	1.9
291.19586	8.9
292.19785	0.5
294.08978	0.9
309.13522	13.9
309.17099	100.0
309.20743	22.8
309.60269	0.5
310.14017	0.9
310.17459	6.7
310.21024	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.171
Annotation	Neobritannilactone A
Peak:m/z	Relative Intensity
57.03453	1.9
59.01093	0.9
59.01383	12.8
71.01389	0.6
71.48009	0.5
80.80996	0.4
85.02927	0.5
85.06576	0.6
96.70190	0.4
98.22540	0.8
111.04518	1.0
111.08198	0.5
113.09733	4.6
124.86230	0.4
125.02480	0.4
125.06091	0.4
125.09750	1.3
129.09219	0.8
149.06111	1.1
149.09747	1.0
153.12914	0.4
158.03741	0.4
166.06369	1.1
172.05318	1.8
179.07202	0.8
181.08716	22.3
182.09053	0.9
191.07150	0.7
193.08702	12.6
194.09180	0.7
195.13924	1.6
197.08159	0.5
219.10330	0.7
234.12651	0.9
235.13423	3.6
238.10075	0.6
249.14957	12.1
250.15659	2.8
265.18103	35.0
266.05841	0.6
266.09332	0.5
266.18396	1.8
277.08875	0.5
278.09531	1.4
279.06610	0.4
291.16095	1.6
291.19772	1.7
293.08163	2.0
294.05579	0.8
294.09039	3.8
309.07626	2.5
309.11279	4.2
309.17151	100.0
309.20734	13.9
310.08215	0.5
310.11832	0.5
310.17480	6.4
310.20905	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	5.5
58.02965	0.9
58.39035	0.9
59.01373	4.6
68.99805	0.9
69.03461	0.9
69.21008	3.8
69.21432	2.3
71.05042	4.5
81.03429	0.8
83.05025	2.5
85.02954	3.2
85.06621	4.0
87.04494	1.4
93.03480	0.9
95.01393	1.1
95.05041	2.1
97.02991	1.0
97.06589	2.3
98.21735	1.4
107.05001	0.9
109.02934	1.3
109.06606	3.6
111.04524	3.4
111.08162	2.4
113.02441	3.2
119.74644	0.8
121.10227	4.8
123.04527	1.6
125.02469	1.2
125.06087	4.6
125.09719	2.7
127.07669	2.6
129.09229	6.1
135.08255	0.9
137.06062	2.0
137.09781	0.9
138.03227	1.6
139.07678	1.1
145.02974	1.2
149.06097	2.0
151.07658	1.0
165.05559	1.0
167.10762	2.1
167.14407	0.9
171.10307	2.2
174.43472	0.8
177.01929	1.9
177.12837	2.1
179.07188	1.4
179.10751	2.0
181.08722	0.8
185.11797	4.1
189.35269	0.8
193.08714	1.5
193.12247	1.0
195.06830	0.9
195.10242	1.1
195.13916	20.4
196.14215	1.4
197.08217	8.0
197.11852	1.8
207.10312	2.0
209.08186	7.6
211.13405	24.7
212.13768	1.2
221.08133	2.4
221.11810	1.0
223.13361	0.9
233.15501	0.9
234.09023	3.0
237.11293	1.9
238.09937	1.6
239.09305	1.6
247.20598	0.8
249.09145	1.3
249.11418	3.1
251.09274	2.4
251.16554	3.4
251.94597	0.9
263.12912	1.3
265.08609	1.5
266.09363	2.3
277.08698	2.0
278.09479	3.3
279.10278	1.1
291.12491	5.7
291.19687	38.0
292.19968	2.7
293.08148	5.3
294.08997	7.5
306.04407	1.0
309.07538	1.3
309.13623	45.6
309.20734	100.0
310.08167	1.1
310.14011	1.9
310.21011	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	309.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90557	1.1
57.03461	2.9
57.64240	1.1
59.01377	2.3
60.15067	0.9
66.56822	1.2
69.03458	5.1
70.49125	1.7
70.49434	1.4
97.02975	1.2
99.00919	1.9
101.06062	1.3
103.92438	1.1
107.08694	1.6
108.05802	1.3
111.08182	1.7
118.56477	1.0
119.08681	13.1
121.10246	1.2
122.94173	1.1
123.08205	1.9
125.09734	8.3
127.07758	1.1
127.11337	3.4
135.08147	1.9
137.09732	33.7
138.10057	1.8
139.11296	2.0
149.06120	1.3
151.04034	4.6
151.07637	9.3
151.11331	3.2
152.08459	10.6
153.09152	1.7
155.10822	2.4
155.69608	1.2
162.10529	5.1
167.10783	5.2
171.10283	100.0
172.05359	1.6
172.10606	2.2
180.07938	1.4
183.10284	5.4
183.13896	3.7
184.07414	2.3
184.71811	1.2
185.11827	22.7
186.12169	1.3
190.10065	2.1
193.08685	1.4
195.10300	2.3
195.84619	1.3
197.11821	7.7
201.11281	8.1
208.11102	2.3
209.12053	1.1
209.15472	17.4
211.13437	1.7
213.11343	6.1
219.17578	5.3
225.15028	2.2
229.19630	1.4
237.06175	1.1
237.14902	1.4
247.16925	1.9
247.20689	2.2
252.09865	2.5
263.20065	1.4
265.18112	4.0
273.18631	7.0
281.17767	2.8
291.19653	34.8
292.20132	1.6
294.09119	1.8
309.17081	29.6
309.20749	34.6
309.24036	1.5
310.17368	3.0
310.20996	2.5
331.38510	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
50.09935	1.6
59.01376	4.0
61.18602	1.9
67.81384	2.0
69.03456	5.5
69.07221	12.3
70.27703	1.7
71.01362	2.3
71.05018	2.4
76.24770	2.1
79.00243	1.9
80.67316	2.0
82.09663	1.8
99.00897	6.3
107.08665	1.9
111.08186	7.2
119.08684	24.7
123.08179	2.7
125.09731	10.0
127.11277	3.8
137.09740	36.2
139.11287	2.2
145.02876	2.0
149.06088	6.3
149.09702	1.9
151.04037	11.2
151.07632	18.6
151.11325	3.2
152.07333	2.7
152.08424	14.7
153.09204	3.4
155.10828	5.3
155.97156	1.8
167.10797	4.1
169.12291	2.5
171.10281	100.0
183.10269	7.6
184.07419	4.2
185.11829	28.5
190.41028	2.0
193.08719	3.0
195.10289	2.5
197.11877	5.8
201.11314	7.8
209.11951	3.9
209.15508	30.4
211.13376	2.8
213.11325	13.2
225.14961	2.1
229.19795	3.5
247.20801	2.2
249.09271	2.8
252.10072	5.4
263.20117	2.1
265.18127	6.2
273.18594	10.0
291.19690	41.3
291.22940	2.9
294.09009	5.2
295.09677	10.7
309.11414	7.1
309.17120	50.8
309.20764	91.2
310.11957	9.4
310.17548	3.9
310.21072	6.2
324.57855	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	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.5
57.03442	2.1
59.01371	3.8
59.78335	1.1
59.78670	1.1
69.03457	2.2
69.19347	3.4
69.19773	4.8
71.05005	1.2
80.02689	1.1
81.03460	2.8
83.01404	7.6
83.05021	4.0
85.03013	1.4
87.04493	1.1
93.03545	1.0
95.05045	2.1
96.96010	4.4
97.06590	2.7
98.03756	2.0
105.37077	1.1
109.06630	1.5
111.08128	1.2
123.04505	4.2
123.08154	4.7
125.06106	3.7
125.09747	13.3
127.11279	1.4
135.08160	1.6
137.09702	2.8
139.11304	12.6
141.09239	1.2
143.48888	1.1
163.11284	7.2
165.12846	16.6
167.10815	5.7
171.10228	2.0
172.39180	1.0
179.10777	1.4
181.12337	4.4
183.13858	1.5
191.10742	3.5
193.12357	1.4
193.15921	6.4
197.11810	1.2
207.10251	1.7
209.11844	57.0
210.12106	2.1
211.13464	1.5
233.08220	3.0
247.09721	1.4
247.20695	13.9
248.20891	1.3
262.12115	3.9
265.21756	4.7
273.18631	5.0
281.21252	2.1
291.19684	100.0
292.20065	9.0
294.08975	2.2
309.17224	11.9
309.20718	31.9
310.21005	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	309.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.4
57.03450	3.6
59.01378	1.5
60.47778	1.1
68.07077	1.1
69.03465	4.6
69.65127	3.4
69.65516	2.7
83.05028	2.2
95.01421	2.5
95.05066	1.6
97.02956	18.3
98.21735	1.8
99.00894	7.1
111.00910	1.7
111.04553	3.4
111.08164	3.6
113.09759	3.2
119.08681	11.6
123.00871	1.3
123.04530	1.7
123.08171	2.9
125.09729	4.9
127.11289	1.7
135.08173	1.6
137.09737	17.0
151.04019	24.7
151.07655	33.0
151.11273	1.2
152.08443	45.5
153.09184	4.9
155.10786	1.7
162.10643	1.4
163.11288	1.7
165.12831	4.8
167.10779	2.0
171.10289	47.1
175.07663	2.6
179.10767	1.4
179.14482	2.0
180.07834	1.3
183.10243	1.7
184.07405	9.8
185.11838	9.9
190.10034	2.3
193.08737	4.9
195.10289	7.5
197.11789	5.8
201.11342	3.7
208.11069	3.7
209.08128	1.9
209.15469	60.5
210.15817	3.1
211.13474	2.6
213.11368	2.3
221.15472	4.1
223.13364	1.3
226.13669	1.5
229.19667	3.1
239.12999	1.2
247.17017	3.6
247.20738	3.3
252.10048	11.4
265.14493	11.9
265.18112	14.6
273.18634	5.8
291.16162	4.3
291.19635	42.0
292.20029	3.4
309.13498	10.5
309.17093	100.0
309.20758	55.6
310.14267	1.3
310.17490	5.2
310.21191	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	309.2073
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
52.46320	1.3
59.01374	2.6
67.01902	2.6
69.03475	2.4
70.77565	2.9
71.05003	3.7
80.02669	9.0
81.03468	4.6
83.05029	33.8
84.02174	12.4
85.02909	1.3
95.05003	2.3
96.96000	2.2
97.06609	2.1
99.08178	6.7
111.08223	1.8
115.07661	5.8
123.04588	3.9
125.09756	5.1
127.11307	5.0
135.08125	2.5
137.09734	48.8
138.10057	2.0
139.11295	7.0
148.05243	3.5
151.07626	1.5
151.11288	5.5
153.09209	7.4
154.09930	1.9
155.10791	52.6
156.11110	2.5
165.12856	3.4
167.10773	4.2
169.12355	1.7
171.10284	48.5
172.10582	2.4
174.55791	1.4
179.14572	1.6
180.02887	1.5
180.04297	5.8
188.60658	1.4
193.12331	30.6
209.11852	6.4
211.13484	4.5
233.93553	1.4
247.20673	6.5
263.20172	4.5
265.21732	6.6
281.13165	1.6
291.19678	100.0
292.20108	8.5
293.08160	3.1
294.09003	16.1
309.11301	15.6
309.17575	18.8
309.20746	83.3
309.67987	9.2
310.11664	1.8
310.21075	7.6
318.50021	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	7.2
59.01369	2.8
59.14048	1.2
60.94291	1.1
69.03437	3.4
71.05024	3.2
83.04568	1.4
83.05030	5.4
85.06586	2.8
87.04526	2.1
97.02956	14.3
97.06602	4.0
98.21758	4.7
103.59254	1.1
106.04236	1.4
109.06622	3.1
111.04502	2.3
111.08170	2.7
123.04543	1.4
123.08169	1.5
125.09713	2.5
137.09718	2.3
151.11121	1.3
153.12852	1.6
163.11259	2.8
165.12836	6.3
167.10812	1.8
171.10281	9.8
177.12897	1.5
179.14427	4.1
181.12428	3.2
183.13867	1.7
193.12302	4.0
195.13904	13.8
205.12331	1.7
209.11775	4.4
209.15259	1.2
211.13388	1.8
217.15935	1.5
221.15523	11.5
223.13397	8.3
227.12923	3.6
239.16559	3.7
247.20499	6.0
273.18661	4.7
274.11911	1.4
291.19656	100.0
292.20047	7.8
309.17621	2.9
309.20724	83.5
310.21060	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	309.2073
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
54.68966	5.3
57.03453	5.8
58.52530	6.3
69.37269	6.5
80.02690	13.2
98.22640	12.1
123.08176	22.8
125.09743	24.5
127.11283	6.6
137.09729	12.9
139.11224	5.6
151.04008	18.1
151.07684	26.7
152.08438	25.0
155.10805	51.8
167.10788	11.1
171.10280	100.0
181.12419	6.2
185.11812	97.7
191.14198	5.0
209.11900	5.9
209.15448	42.8
212.10463	7.8
229.50369	5.4
247.20638	9.8
263.20065	13.5
265.18008	7.5
267.15778	6.2
267.84094	5.6
281.21262	12.3
291.19775	35.8
296.11786	5.7
309.17139	65.3
309.20773	41.4
328.66031	5.7
329.05563	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	310.0934
Annotation	p-Glucosyloxymandelonitrile
Peak:m/z	Relative Intensity
57.03427	1.8
58.00595	2.9
59.01382	61.2
69.68593	1.2
71.01382	34.7
71.28680	1.9
72.99301	3.2
73.02932	3.4
75.00885	2.0
81.96140	1.4
83.01384	2.7
85.02951	8.9
87.00877	5.5
89.02454	31.9
92.05072	10.1
93.03488	1.8
94.53155	1.4
95.01378	1.9
99.00912	1.6
101.02448	21.0
109.02964	1.8
113.02461	12.4
116.05062	2.1
118.02994	4.9
119.03488	11.1
120.04583	9.7
121.02897	1.6
123.00864	1.7
128.05096	2.8
131.03752	7.8
132.04543	16.0
134.06126	3.6
134.55882	1.6
135.04504	1.7
137.02428	5.8
144.04518	5.7
146.02492	65.2
146.06157	3.3
147.03284	65.1
148.04066	18.2
149.04622	2.1
150.05573	1.8
155.06984	1.4
158.06075	3.6
159.03267	2.9
160.04047	100.0
161.04468	4.6
162.05618	4.5
172.04091	8.7
173.04573	2.2
174.05617	14.9
179.02232	19.1
179.05548	4.3
186.05617	4.6
190.05089	1.8
191.76227	1.4
196.03943	2.3
202.05115	32.0
214.05093	7.9
220.05971	1.9
232.06212	3.6
293.91553	1.6
310.09338	84.8
311.09937	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	310.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20099	2.5
58.00600	5.2
59.01094	5.7
59.01381	77.7
69.16165	5.3
69.16576	13.2
71.01387	42.1
72.99315	7.6
73.02941	5.9
75.00871	4.9
83.01385	5.4
85.02943	11.3
87.00877	10.0
87.76311	2.5
89.02451	39.0
92.05072	10.7
95.01441	2.7
96.96008	5.5
101.02451	24.8
109.02950	8.0
111.00866	3.9
113.02474	11.8
116.05075	2.5
118.06642	3.4
119.03497	18.0
120.04585	12.8
120.99664	4.9
122.99245	2.7
125.02467	3.7
131.03683	6.0
132.04552	15.1
134.06146	3.8
137.02429	17.5
144.04541	10.9
146.02492	73.0
146.06146	3.4
147.03284	61.2
148.04054	21.3
149.06105	3.7
153.02014	3.4
158.06100	4.0
160.04050	97.8
161.04492	7.3
162.05606	10.8
172.04018	8.2
174.05626	14.9
177.05597	2.5
178.05026	2.9
179.02234	19.2
179.05644	6.2
184.43668	3.0
186.05655	4.4
202.05141	32.5
214.05141	9.8
220.06189	5.2
232.06253	5.0
310.09341	100.0
311.05093	6.1
311.09476	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	311.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32708	0.6
57.03460	0.8
59.01376	1.1
62.93675	0.7
71.29236	1.1
72.99316	15.5
79.05526	2.6
81.03477	1.4
93.03477	1.7
105.00191	0.7
107.05045	1.3
111.53683	0.7
123.04540	40.8
124.04900	0.9
124.54047	0.7
125.02459	2.9
125.09714	5.4
126.02790	1.7
127.02953	1.4
135.04533	33.6
137.02420	0.8
149.02399	1.2
149.09750	12.0
151.07593	0.7
161.09708	3.0
161.42465	0.8
177.09239	1.7
187.07596	0.8
193.08710	100.0
194.09081	5.0
197.04477	1.0
198.04956	1.6
199.05087	2.8
205.08711	42.7
206.09065	1.7
221.08160	0.9
233.78572	1.0
249.07697	26.4
249.10298	1.5
250.08018	1.0
267.08755	5.3
311.07761	9.9
311.11063	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	311.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
69.09293	4.2
73.79349	0.5
74.72652	0.6
75.86261	0.6
79.01935	1.1
83.10764	0.4
93.40273	0.5
98.18746	0.5
117.03448	3.9
119.05104	0.8
134.03752	0.9
135.04562	1.3
136.01669	0.6
149.02440	1.7
150.03229	0.6
175.03989	3.5
177.01991	2.2
178.02736	0.7
179.03554	1.0
186.03242	0.9
187.33575	0.5
211.13390	0.9
224.08511	0.5
225.05661	0.7
227.07123	0.6
239.07231	1.5
251.06856	0.5
252.63606	0.6
253.05058	1.5
267.06662	6.4
268.07391	1.5
293.21243	0.9
295.06122	20.0
296.06909	100.0
297.07254	6.6
311.09265	74.0
311.22287	3.5
312.09586	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	311.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.02080	0.5
62.01089	0.5
65.17449	0.5
69.31338	4.1
75.86215	0.9
79.01870	0.7
81.84235	0.6
108.02172	0.7
108.48171	0.6
109.14317	0.5
117.03444	2.9
119.05041	0.8
123.55793	0.6
134.03737	1.2
135.04536	1.1
136.01660	0.8
141.46371	0.5
148.56012	0.5
149.02441	1.8
161.02272	0.5
173.43132	0.5
175.04001	3.8
176.04712	0.8
177.01907	2.4
179.03453	1.6
186.03285	0.7
188.13747	0.6
211.04123	0.7
221.59135	0.6
225.14540	0.5
229.80142	0.6
233.68901	0.6
239.07040	1.3
239.14400	0.6
251.07321	0.9
253.05061	2.3
267.06686	5.8
268.07443	1.3
283.74677	0.6
295.06094	20.0
296.06897	84.3
297.07187	5.8
311.09271	100.0
312.06097	1.0
312.09555	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0928
Annotation	CHEBI:65795
Peak:m/z	Relative Intensity
59.01363	0.7
63.20485	0.8
69.48583	2.8
72.10102	0.7
79.01897	2.2
83.05012	0.7
85.53796	0.6
93.03510	0.8
95.05039	3.0
97.06559	0.6
99.06207	0.8
105.03468	38.9
106.03782	0.7
107.05032	0.8
109.02966	1.3
111.04509	3.2
115.32596	0.6
117.03454	8.9
119.05021	0.8
121.02985	1.1
123.04523	1.0
125.09723	4.2
135.04520	2.1
136.01611	1.1
147.04514	1.9
149.02440	7.1
149.19051	0.6
160.01639	0.7
161.02448	2.6
163.00375	1.5
164.01151	3.2
169.12286	1.1
175.04018	3.8
179.03503	5.9
180.05751	0.8
193.05028	0.7
193.06630	2.2
194.07335	1.6
196.05263	1.5
197.06073	2.0
201.05635	0.8
209.06139	1.4
210.06731	1.2
221.06093	14.5
222.06851	8.0
223.03955	1.1
223.07498	0.8
224.04773	1.4
225.05492	1.8
230.46425	0.7
237.05501	3.0
237.09256	4.8
238.06329	3.9
239.07080	2.0
249.05640	1.4
250.06297	2.4
251.07030	1.9
252.07863	1.0
253.05092	12.3
253.07767	0.9
253.08810	0.9
254.05650	2.0
255.03055	3.9
265.05078	7.2
265.08685	2.7
266.05823	12.7
267.06631	76.5
267.19681	13.0
268.07053	6.0
269.04605	0.8
275.16455	1.1
281.04581	26.0
281.08191	37.4
282.05139	1.6
282.08670	3.1
283.09778	8.2
284.09961	0.8
293.17667	4.2
293.20758	1.2
295.06134	13.6
296.06879	13.5
298.04816	1.5
299.09235	2.1
311.09256	100.0
311.18668	5.1
311.22281	15.7
312.09659	8.4
312.22406	1.1
328.05896	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1293
Annotation	5,22-dihydroporphyrin
Peak:m/z	Relative Intensity
60.91766	0.6
68.98576	3.0
68.98985	1.3
74.24637	0.5
83.20169	0.6
98.21711	0.8
104.99748	0.6
109.02960	1.5
121.02971	4.9
122.03738	0.7
123.04581	0.6
134.03763	5.3
135.04544	3.5
137.02426	0.9
145.03004	1.0
146.03299	0.6
147.04579	0.7
149.06105	6.6
150.06425	0.9
159.04532	1.1
160.05278	1.0
161.06100	1.3
173.06082	1.5
174.06868	6.4
175.07602	1.8
187.07680	1.0
188.08466	1.8
211.07590	0.5
225.09302	0.7
249.09500	0.6
251.10640	0.9
253.08644	0.7
263.07214	0.7
264.08002	0.6
267.10379	0.5
277.08743	1.4
278.09488	3.0
279.10300	6.0
280.10876	0.8
281.08279	7.5
281.11438	0.9
282.08600	0.5
293.21268	3.4
295.09787	9.6
296.10568	25.0
296.84241	0.5
297.10904	1.7
311.12918	100.0
311.22281	6.2
312.13251	7.6
312.22681	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
69.59391	1.7
69.59778	1.8
93.03460	1.3
103.22984	0.8
108.02179	1.4
109.02970	2.5
121.02970	10.6
123.04527	1.3
134.03758	9.8
135.04572	5.5
137.02493	1.2
139.11288	3.2
145.02974	1.8
146.03654	0.9
147.04572	1.6
148.86847	0.9
149.06094	10.6
150.06398	0.9
159.04538	1.6
160.05295	1.9
161.06056	3.1
161.07294	0.8
171.10254	7.6
173.06090	2.4
174.06880	11.1
175.07661	5.2
187.07648	2.1
188.08409	2.4
201.11333	1.8
211.04146	0.7
212.05009	0.9
225.09167	2.2
240.04269	0.9
251.10797	1.8
253.08714	1.9
254.05759	1.5
255.06479	1.4
263.07123	0.9
264.08044	0.9
267.10251	0.9
270.08875	0.9
275.19968	1.3
277.08707	3.0
278.09543	4.4
279.10284	9.8
280.10925	0.9
281.08203	9.4
293.21228	3.8
294.08899	1.3
295.09781	14.9
296.10522	23.6
297.10834	1.1
311.12909	100.0
311.22324	11.3
312.13309	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
69.12992	8.1
83.04997	2.2
87.27887	1.1
88.22454	1.3
91.05547	2.1
92.92220	1.3
105.03456	3.3
108.47980	1.3
111.08152	2.6
119.05022	2.5
125.09665	3.2
146.03703	1.7
147.04538	25.8
148.05319	82.0
149.06096	100.0
150.06386	3.5
155.07153	1.4
155.10825	1.3
163.07652	54.7
164.07944	2.2
169.12267	1.5
171.10257	1.6
173.11681	1.4
183.01205	1.3
184.68021	1.2
293.21225	4.8
311.18732	3.3
311.22250	41.6
312.22592	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	311.1291
Annotation	5,22-dihydroporphyrin
Peak:m/z	Relative Intensity
53.83051	0.6
59.33900	0.7
75.86709	0.8
93.03452	1.4
94.96272	0.5
97.48505	0.6
98.22623	1.2
108.02180	1.9
109.02956	2.0
111.04552	1.0
117.03456	2.5
121.02950	8.0
121.51942	0.7
122.03754	1.0
126.87425	0.6
134.03741	10.1
134.82080	0.6
135.04541	5.8
136.01659	0.9
145.02956	1.5
147.04558	1.7
148.05312	0.9
149.02408	1.5
149.06097	9.2
159.04486	2.1
160.05286	1.7
161.06100	3.1
162.06862	0.7
167.14365	1.2
173.06090	1.1
174.06851	9.4
175.04062	1.5
175.07642	4.0
177.01889	1.5
179.03496	0.8
185.34717	0.6
187.07681	0.8
188.08432	2.3
195.13893	2.6
212.04802	0.8
223.07727	0.7
225.09270	1.5
239.07248	0.9
249.09370	0.7
251.07047	0.9
251.10681	1.5
251.16667	0.7
252.07968	0.9
253.04871	1.3
253.08646	2.3
263.07175	1.3
264.07800	1.1
267.06671	3.2
267.09738	0.7
268.03821	1.7
268.07385	1.3
277.08643	2.4
278.09448	3.6
279.06992	1.1
279.10248	10.6
280.10840	1.5
281.05164	1.1
281.08215	12.8
293.21219	3.3
294.08783	1.0
295.06116	11.9
295.09729	15.6
296.06876	48.4
296.10513	31.5
297.07208	4.3
297.10562	1.3
311.09247	47.4
311.12881	100.0
311.22275	27.3
312.09653	4.7
312.13257	7.6
312.22632	2.4
332.18585	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1292
Annotation	5,22-dihydroporphyrin
Peak:m/z	Relative Intensity
58.21972	0.7
59.01367	0.9
69.13416	2.8
69.13833	3.0
76.60178	0.9
86.91112	0.8
88.62172	0.7
92.49250	0.8
93.03456	2.9
109.02972	10.0
121.02970	41.5
122.03250	1.2
123.04490	1.7
131.05013	2.1
135.04541	2.1
145.02930	1.4
146.03745	0.9
147.04515	2.0
149.06042	0.9
159.04523	24.6
160.04877	1.0
168.51071	1.0
171.04440	1.5
171.10281	1.4
174.03185	1.2
174.06783	1.1
175.04054	1.4
183.04539	1.6
187.04066	1.1
196.05307	2.3
196.65286	0.9
197.06070	0.9
207.08144	2.3
209.06021	1.1
209.09564	0.9
211.04039	3.4
211.07597	1.6
212.04858	5.5
217.06616	0.9
223.07661	1.1
224.04759	1.2
225.09172	7.4
234.88118	0.9
235.07663	9.3
236.08450	1.2
237.05557	1.3
237.09178	2.7
238.06352	2.8
239.03439	1.6
240.04303	5.6
251.07161	2.9
252.07922	1.8
253.08691	15.7
254.09087	1.3
261.05634	1.4
262.06372	1.1
263.07104	10.9
264.07846	2.9
265.05164	1.1
266.05832	0.9
267.06662	1.1
267.19772	0.8
279.06680	1.8
280.07358	1.9
281.08194	100.0
282.08585	4.7
293.21088	2.0
295.09671	2.4
296.10535	93.4
297.10907	5.9
304.97534	0.9
311.12903	88.7
311.18793	2.2
311.22211	16.0
312.13193	6.0
312.22879	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1502
Annotation	Pestalotheol A
Peak:m/z	Relative Intensity
52.42889	0.6
59.01292	0.9
69.39442	0.9
82.77092	0.7
85.02892	0.9
87.04406	0.7
92.26701	0.7
93.70743	0.7
97.06502	0.7
109.02868	0.9
109.06463	8.1
111.04439	0.9
111.08089	0.8
113.09634	1.6
121.02862	1.5
121.48016	0.7
125.02341	0.9
125.05982	1.4
135.04446	1.3
139.11317	0.7
145.02885	0.9
149.06035	1.2
155.07018	1.9
164.08356	0.9
166.06224	2.1
173.11723	1.0
175.11249	0.7
179.07204	4.8
179.10782	9.0
181.07391	0.7
181.08716	8.6
191.07129	3.8
207.06538	1.3
207.10287	2.0
209.06154	0.9
209.08098	0.9
219.08173	1.3
219.10254	16.4
221.11771	1.6
222.09010	1.8
224.06972	0.7
225.05693	0.8
234.12642	5.0
249.14964	99.9
250.15260	5.0
253.05009	3.4
253.10829	2.3
265.05109	1.8
265.14444	6.0
267.06702	0.8
267.15997	13.4
268.07513	1.5
279.10504	0.8
280.07468	1.0
281.04639	5.3
281.08273	2.2
293.13998	15.4
295.09790	1.3
296.06989	5.5
296.10663	3.4
310.60330	1.3
311.09372	6.1
311.15158	100.0
312.09991	1.2
312.15591	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	311.1866
Annotation	(+)-Neomethynolide
Peak:m/z	Relative Intensity
54.12731	1.3
57.03435	1.8
69.81483	5.0
97.06606	4.1
109.06570	1.7
111.08175	5.5
113.09743	1.8
121.02968	1.9
125.09726	6.2
157.08694	4.1
167.14398	1.5
169.12390	1.5
171.13998	2.2
183.10301	2.1
211.13313	2.4
223.20667	2.7
227.47353	1.2
249.18570	3.9
253.05075	1.3
267.06668	2.7
267.19669	100.0
268.20053	8.1
275.16464	8.1
277.34222	1.4
281.08234	2.2
293.17599	33.5
293.21143	8.5
294.17886	3.2
294.66293	1.5
295.06610	1.5
311.09247	3.5
311.18649	32.8
311.22278	98.4
312.19080	2.7
312.22617	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	311.2229
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
56.76217	0.4
57.03456	1.2
66.79689	0.4
77.89970	0.5
83.22890	0.5
98.21714	0.8
123.08010	0.5
129.60878	0.5
249.22240	48.1
250.22610	2.9
267.23358	2.0
293.21249	22.6
294.21646	1.8
311.22302	100.0
312.22647	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	311.223
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
53.85785	0.3
57.03452	3.1
59.01370	0.5
59.05171	0.3
63.39607	0.3
68.07381	0.3
69.48360	2.0
71.05025	0.9
81.03482	0.4
83.05020	0.4
91.65806	0.4
97.06606	1.7
98.21781	0.3
106.85494	0.4
109.02943	0.5
111.08161	0.6
116.16452	0.3
123.08176	0.9
123.09536	0.4
125.09743	6.5
127.11369	0.4
137.09705	1.9
139.07657	0.8
139.11333	0.6
141.12856	4.5
153.12859	0.4
155.10713	0.6
157.08696	0.4
159.10262	1.0
167.10789	0.8
167.14384	0.5
169.12379	2.9
171.13911	3.5
183.10306	0.4
183.13843	0.5
185.11870	0.4
197.15483	0.4
200.06342	0.3
223.20628	0.5
249.18568	0.8
265.21683	0.4
267.06644	0.8
267.19659	16.0
267.22775	0.8
268.19907	1.1
275.16525	0.8
275.63156	0.4
281.04428	0.5
281.08096	0.4
293.17581	4.4
293.21167	2.1
294.18073	0.4
309.20486	0.5
311.09741	1.9
311.18869	6.0
311.22272	100.0
312.19266	0.7
312.22589	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	311.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22587	1.2
57.03446	3.0
59.01365	2.4
69.04771	11.4
79.77746	1.2
83.05026	1.7
91.76361	1.3
97.02970	1.7
98.22558	3.1
99.08155	3.3
108.44181	1.2
111.08215	1.6
113.09712	4.2
117.03478	1.7
121.10245	1.4
129.09210	6.8
138.32285	1.3
139.11307	3.0
169.12366	3.8
171.10269	10.1
177.02020	1.4
181.12370	5.9
183.13881	2.5
191.60112	1.3
193.12329	3.9
197.11821	14.7
199.13377	7.8
207.39714	1.4
211.13393	30.4
212.13843	1.9
265.21664	1.6
267.06540	4.0
275.20187	1.7
279.72989	1.3
293.21265	28.8
294.21704	1.5
295.06229	11.2
296.06912	47.9
296.10123	1.6
297.07233	3.6
311.05615	1.7
311.09308	44.3
311.12857	5.3
311.22305	100.0
312.09683	2.0
312.22632	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	311.2231
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
56.78588	0.8
57.03447	1.7
59.01381	4.0
65.05447	0.8
69.03477	1.6
83.05050	1.7
84.02149	1.0
85.69105	0.9
97.02956	1.9
97.06584	2.5
99.08153	2.4
101.32906	0.9
113.09758	3.0
121.02932	1.3
121.10258	3.0
123.00887	1.2
125.02444	2.2
125.09755	4.6
127.11279	2.7
134.03767	1.5
137.09641	1.1
139.11307	10.0
148.11568	0.9
149.06096	2.7
155.10771	3.0
163.11264	1.2
165.61703	1.2
167.10760	1.3
171.10286	42.1
172.10583	1.8
174.06792	1.4
181.12373	1.2
183.10277	2.9
185.11847	6.2
193.12332	10.9
201.11346	4.1
201.16774	0.9
211.13385	11.5
226.86012	0.8
231.21017	1.1
249.22327	1.0
257.22089	1.0
275.20184	4.0
279.10300	2.2
281.08057	1.4
283.06189	1.2
293.21231	24.5
294.21527	2.3
295.09790	2.6
296.10468	4.8
311.06064	1.3
311.09317	3.4
311.12802	19.7
311.22299	100.0
312.13220	1.9
312.22650	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	311.223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37426	0.9
54.37823	1.0
57.03434	2.2
58.00581	1.7
59.01395	1.0
69.16885	6.2
72.73482	0.9
74.47562	0.9
83.05045	1.1
84.26633	0.9
99.08154	2.9
113.09708	2.4
117.03448	1.1
118.87901	1.1
121.10223	1.4
125.09744	2.9
127.11297	4.8
129.05574	0.9
129.09288	5.1
134.84598	0.9
135.97429	0.9
136.59920	1.1
139.11284	9.0
155.10793	4.1
159.46107	1.1
163.06229	1.0
167.14384	1.0
169.12379	1.6
171.10283	48.7
181.12369	3.8
183.10258	3.7
183.13857	2.4
185.11882	8.0
193.12321	1.2
197.11847	7.6
199.13383	3.0
199.17715	0.9
201.11311	10.1
211.13385	13.7
251.68086	1.0
275.20245	4.9
293.21255	20.2
294.21478	1.3
295.06363	1.9
296.06818	10.9
311.09317	7.8
311.22302	100.0
312.22702	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	311.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49811	1.7
57.03456	1.8
59.01367	2.6
66.51057	1.8
69.31736	1.5
70.41489	3.7
70.41838	2.5
71.04994	5.0
74.28500	1.8
83.05025	3.7
85.02955	4.3
101.06085	6.6
125.09661	2.4
176.55627	1.8
180.04274	3.6
181.16113	1.6
194.47301	1.9
227.18738	1.8
249.22237	2.3
265.21637	2.6
293.21103	3.7
311.09164	2.1
311.22308	100.0
312.22629	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2232
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
51.36794	0.9
54.60518	0.8
57.03438	2.4
67.01907	1.0
69.03467	1.0
69.71338	3.5
97.06590	1.9
98.22462	1.5
113.09728	2.0
125.09757	4.9
139.11288	6.6
149.09743	1.2
167.10898	0.8
171.10281	10.6
185.11816	6.0
194.25632	0.9
197.11864	1.9
211.13409	43.6
212.13754	2.0
264.11896	0.8
293.21252	100.0
294.21512	6.6
311.05295	1.4
311.22272	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	311.2231
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.03437	1.7
59.01387	1.1
59.08454	0.8
63.34678	0.8
68.40516	0.8
69.05291	7.3
74.00108	0.8
83.05003	1.0
85.92609	0.8
89.49438	0.8
97.06633	1.2
98.21803	1.9
99.08176	1.2
113.09736	2.1
117.03457	1.5
121.10229	2.0
125.09727	3.4
127.11298	3.1
129.09245	1.1
138.78036	0.7
139.11305	13.1
153.09151	0.9
155.10815	2.6
167.10907	1.1
171.10292	46.3
172.10669	1.0
175.04007	1.9
181.12314	1.3
183.10320	2.4
183.13907	1.0
185.11859	5.4
193.12325	2.3
197.11873	1.7
201.11319	6.3
211.13466	4.6
249.22221	1.4
267.06671	1.5
275.20248	4.2
293.21255	30.6
294.21576	2.0
295.06186	6.3
296.06924	36.5
296.10089	1.4
297.07263	3.6
311.09344	32.6
311.12790	3.7
311.22305	100.0
312.09750	2.1
312.22589	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	311.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
61.44175	0.4
68.12615	0.4
69.44107	2.0
98.21787	0.8
99.08150	0.5
101.88833	0.4
113.09682	0.9
115.07663	1.8
117.03502	0.6
121.03004	0.7
122.38235	0.4
127.07682	0.9
128.08434	0.8
134.03735	1.6
134.21414	0.4
135.04498	0.8
137.84935	0.4
139.11325	0.8
149.06047	1.2
159.04565	0.5
161.06105	0.6
167.14418	4.3
171.80881	0.4
174.06886	1.6
175.07657	0.5
183.13890	2.8
195.13913	12.2
196.14252	1.0
211.13380	1.0
213.14989	1.6
214.15193	0.4
242.15320	1.1
249.22144	0.5
265.21780	0.6
267.06686	0.7
267.23245	0.9
268.03635	0.8
275.20151	0.8
277.08255	0.5
278.09576	1.0
279.10245	1.5
281.08179	1.6
293.21210	8.9
294.08902	0.4
294.21613	0.6
295.06091	1.6
295.09802	2.1
296.06897	6.0
296.10559	5.3
297.07306	0.8
297.10593	0.5
311.09290	6.1
311.12900	17.6
311.22293	100.0
312.09894	0.9
312.13297	1.4
312.22629	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	312.0064
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	5.5
61.98831	2.5
74.99375	0.9
98.21681	0.8
99.98912	2.0
117.00439	5.6
124.98511	0.6
126.00469	6.1
126.98168	1.3
129.00427	1.2
140.02110	0.9
141.99969	65.4
143.00113	3.7
151.98521	0.7
159.01495	1.6
165.72816	0.7
167.99637	1.0
168.99330	1.2
169.89485	0.7
169.99463	100.0
170.97850	17.9
170.99384	6.0
171.01518	3.3
184.01007	25.8
185.01173	1.6
217.00490	0.8
259.01590	2.4
263.24936	0.7
277.18607	0.7
312.00681	1.5
312.99158	1.5
314.08194	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	49.8
61.27550	14.3
65.06647	12.3
69.26171	100.0
85.02969	25.6
94.13870	13.5
106.39993	15.1
108.02185	87.4
109.02992	45.9
109.72926	14.6
125.02450	15.0
137.02336	16.3
149.02452	14.6
151.03979	45.9
180.95909	16.5
239.89073	16.6
312.10947	22.8
313.05902	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	312.9982
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68379	0.5
59.01348	0.6
65.00323	2.0
68.99802	0.9
72.57664	0.5
78.89580	0.4
86.01616	1.5
89.00326	1.2
90.01105	1.6
106.00597	1.1
109.02951	0.5
118.00589	1.8
122.51511	0.4
125.02438	1.1
130.00618	13.1
132.02118	0.4
134.00066	1.6
142.00610	5.5
146.00111	6.9
151.00345	0.5
151.03937	0.8
155.01433	2.2
157.02943	1.0
158.00113	11.4
158.03743	0.5
159.00478	0.4
160.98875	0.5
161.99579	2.1
169.01405	1.9
170.00099	3.0
171.00858	1.6
173.99586	5.2
175.25290	0.4
182.03598	0.4
183.00821	0.8
185.02444	1.6
185.99594	29.2
186.99991	1.6
189.99063	1.8
197.99593	18.6
198.99992	0.9
200.01239	0.6
201.01927	1.3
201.99088	0.7
213.99107	7.6
217.98567	0.7
225.99046	0.7
226.99907	1.3
228.00398	0.5
229.01398	2.8
241.98607	9.1
254.99380	5.3
255.99896	0.6
257.00961	4.3
257.04807	0.8
261.36096	0.4
269.04352	0.9
269.98068	100.0
270.98431	7.2
282.98773	1.3
285.00436	27.0
285.03769	1.8
286.00797	1.5
295.09610	0.7
297.97559	99.9
298.97964	5.9
312.99936	97.5
313.10770	1.1
313.16556	0.5
314.00351	6.6
314.03900	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.9978
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17444	0.6
62.01593	0.9
65.00303	1.9
68.99787	0.8
69.15411	4.7
75.00845	0.7
76.33949	0.7
83.05049	1.0
85.51143	0.6
86.01598	1.1
89.00320	1.6
90.01121	1.2
106.00611	1.6
118.00650	1.4
121.02951	1.6
123.08169	0.8
125.09752	1.1
127.07608	0.7
130.00621	12.7
131.50142	0.9
134.00134	1.8
142.00616	5.2
146.00111	6.7
147.04445	0.8
155.01358	1.4
157.02940	1.0
158.00098	11.0
158.50813	0.6
161.99593	1.9
170.00096	2.0
171.00854	0.9
173.02399	1.2
173.99565	4.5
177.62036	0.7
178.39287	0.6
183.00797	1.2
185.02484	1.2
185.99593	26.6
186.99931	1.4
189.99031	0.8
197.99599	17.9
201.01930	0.9
213.99144	6.2
226.99835	1.3
229.01440	2.3
240.04233	1.1
241.01364	0.8
241.98541	7.9
251.99924	0.7
254.99451	3.8
257.00906	3.8
269.98071	90.3
270.98541	5.2
280.03717	0.9
282.98709	0.7
283.06232	0.8
285.00421	25.1
286.00833	1.9
295.06119	1.4
297.97562	94.7
298.08493	1.7
298.97873	5.2
312.99930	100.0
313.07434	2.1
313.10803	2.4
313.16788	1.0
313.20251	3.3
313.23898	1.7
314.00266	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	313.0357
Annotation	Wedelolactone
Peak:m/z	Relative Intensity
67.25217	0.7
71.29997	1.0
93.47334	0.9
97.06574	0.9
97.75249	0.8
109.02924	0.9
115.62937	0.8
121.02938	1.2
161.02475	0.8
167.32396	0.9
170.00551	0.9
173.02415	1.0
174.03197	1.1
179.14398	0.8
185.02257	0.9
186.03206	1.1
190.02693	1.1
208.16646	0.9
213.01962	1.3
214.02734	7.6
214.99713	1.1
218.02184	0.8
226.99886	1.9
230.02219	9.2
241.01274	1.6
242.02216	14.1
245.00764	1.7
254.02252	6.6
254.99152	1.6
255.02235	1.0
257.98065	1.5
269.17496	1.1
269.98901	1.1
270.01678	6.8
270.98804	3.4
282.98801	1.5
283.06085	1.0
283.99429	2.4
285.00586	4.3
285.03412	1.0
291.42719	1.0
298.01193	73.9
298.98285	2.5
299.01505	4.9
312.99844	19.6
313.03467	100.0
313.10773	2.7
313.16376	2.4
313.20142	1.9
314.00418	3.7
314.03891	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	313.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96889	1.0
70.53832	3.9
99.08174	1.6
109.02969	1.9
121.02973	3.2
129.10139	1.2
130.52229	1.2
217.33353	1.2
255.02995	76.3
256.03336	4.7
270.05304	6.1
283.02515	30.6
283.05829	2.3
298.04840	100.0
299.05145	5.5
312.22733	2.0
313.07220	34.0
313.10751	3.9
313.17639	2.6
313.23804	31.2
314.07446	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	313.072
Annotation	1,3-Dihydroxy-5,6-dimethoxy-2-methyl-9,10-anthraquinone
Peak:m/z	Relative Intensity
64.93716	0.4
65.00243	1.8
69.04812	2.9
69.05236	1.4
76.35691	0.6
77.03879	4.4
79.01806	3.5
83.04964	0.5
97.02862	3.1
97.06517	0.9
99.08070	1.6
108.02112	0.9
109.02911	0.9
111.08071	1.5
121.02969	14.1
125.09714	4.2
129.09184	1.2
132.02202	4.2
134.03687	0.9
136.01537	1.7
137.02325	1.9
137.15735	0.4
147.04457	0.6
148.05171	0.6
149.02429	3.6
149.05901	0.5
150.03207	0.6
157.08728	3.5
159.10197	1.3
163.00261	1.1
164.01154	2.9
165.01939	15.8
171.10301	3.6
173.11728	2.1
176.04678	1.1
177.01930	2.8
178.02722	3.1
183.02927	0.7
183.13774	2.2
214.06241	0.8
225.05527	1.4
241.05070	7.5
242.05807	0.7
253.04941	0.6
254.05713	0.8
255.02979	1.2
256.95007	0.5
269.04584	15.9
269.07562	1.0
270.05103	1.4
270.08920	0.6
283.02615	1.0
283.05844	0.6
297.04004	2.1
297.07462	0.6
298.04846	87.9
299.05215	6.3
313.07214	100.0
313.10605	5.4
313.20224	3.2
313.23901	8.3
314.07507	7.9
314.10880	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0721
Annotation	KOPARIN 2'-METHYL ETHER
Peak:m/z	Relative Intensity
61.02533	0.4
65.00266	1.2
66.67587	0.3
70.92532	0.6
70.92855	0.4
72.24223	0.4
76.22649	0.6
83.04980	0.5
89.00275	0.5
93.03404	0.4
107.01334	0.5
107.39764	0.3
108.02177	3.8
109.02917	0.6
117.02698	0.7
117.03461	10.9
120.99279	0.7
121.02912	0.8
123.04496	1.8
125.02432	0.6
129.23169	0.4
135.00859	0.6
135.04475	0.6
136.01602	0.4
137.02403	0.4
149.02386	1.3
149.99605	0.6
151.00398	2.2
151.03951	0.9
159.04462	0.6
159.10207	0.6
160.01605	1.1
161.02467	1.9
163.00334	0.8
165.05383	0.5
166.99831	0.4
175.00243	0.5
175.04008	1.9
176.98190	1.0
177.01933	2.6
178.99864	7.6
189.01917	4.1
192.00558	0.6
205.01343	0.4
213.05513	0.4
224.04729	0.8
225.05525	1.1
227.03467	0.4
240.04308	0.6
242.99394	0.9
251.03537	0.4
252.04236	1.3
254.05727	0.4
255.02989	20.7
256.03329	1.5
268.03885	1.8
268.07248	0.3
269.04568	21.2
269.98041	0.5
270.05118	2.9
270.98859	2.6
279.03006	0.6
280.01102	0.5
280.03644	2.3
281.04465	1.8
283.02521	7.9
283.05603	0.4
284.02884	0.5
285.04242	0.4
295.02484	5.3
295.06070	2.2
297.04059	71.7
298.01166	0.6
298.04797	35.9
298.98267	2.1
299.05133	2.3
313.07202	100.0
314.01031	1.9
314.04156	0.7
314.07556	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	313.072
Annotation	Unknow
Peak:m/z	Relative Intensity
66.95697	0.2
70.40418	0.4
70.40769	0.5
93.03480	0.4
97.06585	0.3
98.21887	0.3
109.02934	0.3
111.08167	0.6
121.02966	100.0
122.03312	3.4
125.09710	1.3
128.33934	0.3
137.02441	0.3
150.64708	0.3
151.03951	0.3
157.08672	0.6
171.10269	0.5
176.04849	0.3
177.05560	0.3
180.05797	0.9
181.06590	4.7
182.06918	0.3
195.92778	0.3
225.05585	6.3
225.07768	0.4
226.06018	0.6
254.06088	0.2
255.06282	0.4
269.08188	0.5
270.08926	0.3
281.08289	0.3
283.06097	0.6
297.07465	0.5
298.04956	0.7
298.08508	1.8
313.07233	12.9
313.10809	4.9
313.20294	1.6
313.23904	0.9
314.07697	0.7
314.11148	0.4
316.07794	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38609	0.8
57.03452	1.6
59.01377	1.5
67.16216	0.8
69.11948	0.8
71.12119	0.8
76.68031	0.8
83.01404	1.4
87.04528	3.7
93.03461	0.9
97.06610	2.8
106.04247	3.7
108.02187	21.9
109.02983	1.5
109.06622	1.2
116.92912	0.8
118.06683	1.1
121.02967	3.0
123.04562	4.1
123.08178	1.0
124.01751	0.8
125.02409	1.0
125.09731	12.9
127.07677	5.5
132.02188	1.0
133.02983	1.3
134.03732	3.3
135.00899	4.3
135.04567	3.8
136.01663	2.3
137.02460	1.7
138.03210	1.3
149.02477	4.4
149.06201	1.0
150.03226	6.4
151.00394	1.8
151.03963	1.2
152.01176	9.6
153.01929	1.7
159.10263	3.4
160.97823	0.8
161.02477	3.8
163.00389	16.7
163.04007	4.4
167.89828	0.9
169.01491	1.2
171.06636	1.3
171.10294	1.5
178.02710	2.4
185.99632	2.2
187.03874	0.8
187.09775	2.7
189.01929	5.7
191.03487	3.5
195.04663	1.2
197.11809	0.9
197.99644	1.5
213.05516	1.6
223.04077	1.7
224.04816	6.6
225.05403	1.3
227.03569	1.2
229.44794	0.8
240.04169	1.0
241.04938	1.1
242.05746	1.5
251.03496	1.1
251.16672	0.8
252.04306	5.2
254.05864	1.2
255.06645	1.0
268.03806	2.6
269.04672	4.5
269.08072	0.9
269.98157	5.7
270.04962	13.2
271.05228	1.5
279.03036	8.6
280.03793	45.2
281.04224	3.4
282.98953	1.5
283.02478	1.4
283.06186	1.3
285.00540	1.6
285.07724	2.9
295.06134	67.0
296.06512	4.4
297.04123	4.2
297.97705	6.3
298.01221	1.4
298.04749	12.2
298.08295	2.1
313.00247	6.0
313.07202	100.0
313.10712	6.4
313.16632	7.4
313.20288	9.1
313.23883	2.2
314.07574	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	313.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25018	0.4
54.32042	0.4
61.61162	0.4
63.02372	0.4
65.00309	0.6
76.35735	0.6
77.03919	0.5
79.01859	0.5
80.83257	0.4
93.03468	0.4
95.01345	0.5
97.02905	0.5
97.06564	1.0
107.01309	0.6
108.02180	0.8
109.03649	0.4
111.08128	0.7
119.90560	0.4
121.02924	2.1
123.00887	0.5
125.09729	2.1
132.02118	0.9
133.02954	2.0
134.03770	3.5
135.00890	0.7
136.01646	0.5
137.02406	0.6
145.02885	0.4
145.08665	0.5
151.00333	1.0
161.02411	1.5
162.03157	0.5
163.00374	2.2
163.03851	0.5
164.01187	0.7
164.02692	0.5
165.01912	1.5
183.04477	0.6
189.01871	0.9
197.05986	0.5
199.03975	0.5
201.01872	1.1
211.03955	0.9
225.05545	1.6
227.03397	1.1
229.05029	0.5
239.03406	0.6
241.05020	2.5
251.16461	0.9
253.05098	0.8
255.02992	34.1
256.03305	1.7
267.03003	0.5
268.03790	1.9
269.04550	18.4
269.07516	0.9
270.05179	2.6
281.04581	1.0
283.02505	19.8
284.02853	1.4
295.02496	0.8
297.00433	0.5
297.04056	36.5
298.04825	100.0
299.05145	6.2
313.07199	97.6
313.14792	0.4
313.16714	0.9
313.20032	0.8
314.07520	6.4
322.00662	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92841	0.3
55.01862	0.8
58.12344	0.2
66.04018	0.2
69.78577	0.2
69.78919	1.0
76.54797	0.3
79.01897	3.3
82.08263	0.2
83.24427	0.2
84.02167	0.2
85.06637	0.2
87.04573	0.2
91.05518	0.8
97.02888	0.2
109.02978	2.0
111.00883	0.4
111.04539	1.9
113.16631	0.2
119.91644	0.3
121.02954	2.7
123.04510	0.6
127.13621	0.2
132.02191	0.8
133.02966	29.5
134.03270	0.7
135.04530	5.3
145.03053	0.3
147.04536	0.5
148.05331	0.3
149.06076	1.8
151.03989	1.0
161.02386	0.4
161.06145	0.3
162.03194	0.7
163.04030	0.2
169.01413	0.2
175.04037	1.7
176.04738	0.4
177.02226	0.2
177.04196	0.4
177.05580	2.4
179.03511	3.9
185.06073	0.4
189.05562	0.4
201.01979	0.7
202.39420	0.2
209.06029	0.3
210.06924	0.6
211.03961	0.7
212.04744	0.6
213.05563	3.0
213.08978	0.4
225.05576	0.5
225.09157	0.5
226.06357	0.8
227.03510	0.4
227.07191	0.4
229.04880	0.3
239.07181	0.5
240.04271	0.6
241.05040	0.5
241.08705	0.7
242.02304	0.3
243.06641	0.7
251.07195	0.5
253.05089	0.4
254.05832	0.9
255.06677	0.7
257.08240	0.4
267.06763	0.7
269.08221	1.2
270.08954	0.5
283.05981	0.4
285.04071	0.3
285.07700	0.6
295.06140	0.8
295.11856	0.4
298.04874	0.8
298.08344	0.9
311.05762	0.4
313.07205	100.0
313.10590	5.4
313.20212	1.5
313.23895	1.1
314.07516	6.1
314.10739	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41485	1.9
55.49083	1.4
62.34018	1.4
67.01891	2.1
69.06149	4.3
69.06550	11.6
74.43278	1.5
79.01888	1.7
80.45960	1.5
81.03456	2.9
95.01407	4.5
95.05058	6.0
97.03013	2.5
97.06618	8.8
107.01411	6.1
108.02183	35.5
109.02968	44.2
121.02994	3.5
123.00921	13.5
123.08146	1.5
125.02460	7.5
133.02966	6.1
146.03758	22.7
147.04167	1.5
151.00378	41.5
152.01164	100.0
153.01953	27.1
161.06107	16.9
167.03511	18.3
176.04839	2.3
177.01932	2.2
183.04538	2.5
197.05991	2.1
197.11835	2.2
197.99648	1.8
198.06783	2.0
211.04028	5.3
225.05559	7.3
240.04208	2.2
253.05095	3.6
254.05849	34.3
255.03172	2.6
255.06320	3.7
256.07437	1.8
267.06635	9.1
268.07373	5.3
269.08249	6.8
269.98096	5.7
270.01376	2.8
270.05457	2.3
270.98819	4.5
283.06058	1.9
295.09924	2.2
297.07507	2.1
297.97754	4.4
298.01733	2.0
298.04837	10.7
298.08496	24.4
298.98340	6.5
312.99896	12.8
313.03568	10.4
313.07193	46.8
313.10876	67.8
313.16650	11.4
313.20270	6.8
313.23547	2.3
314.00696	3.5
314.07669	2.7
314.11057	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	313.0929
Annotation	Phyllanthurinolactone
Peak:m/z	Relative Intensity
55.01874	1.2
57.03447	1.5
59.01385	2.2
65.86806	0.4
70.49967	0.9
71.01387	17.9
73.02952	4.6
73.20598	0.3
75.00858	0.4
83.01405	1.4
85.02956	6.3
87.00883	0.7
89.02463	1.1
95.01396	1.7
97.02944	0.5
99.00871	1.7
101.02451	8.7
106.04234	0.6
107.01383	1.1
107.05037	100.0
108.05354	2.9
113.02458	7.0
123.00902	0.9
125.02455	4.2
135.04541	0.5
137.02541	0.4
143.03497	0.7
151.00424	0.7
151.04024	7.6
159.03001	1.8
161.04567	7.5
168.00592	0.4
169.01442	4.3
174.03177	0.4
183.01103	0.5
205.03535	0.6
213.02086	0.5
234.03819	0.4
242.02165	0.4
269.04758	0.6
285.00394	0.7
312.99960	1.7
313.05640	5.2
313.09320	1.5
313.12851	0.7
313.16617	0.4
314.00580	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1084
Annotation	Leridol
Peak:m/z	Relative Intensity
61.07201	1.1
71.01382	1.7
91.13260	1.0
93.03485	2.1
95.09931	1.1
108.02210	5.4
109.02977	6.4
117.03477	1.2
121.02968	18.4
123.00896	1.7
123.04551	3.1
125.02425	7.0
130.00636	2.8
130.04266	1.6
134.03734	2.8
135.04547	2.8
139.00439	1.4
143.05042	1.9
145.02966	2.9
146.03755	1.5
147.04535	2.8
149.06123	2.4
151.00308	1.4
158.00153	3.2
158.03746	75.8
159.04541	15.0
169.01453	11.1
171.04491	3.7
175.04030	2.5
175.26440	1.2
176.04790	12.9
177.05450	1.6
183.48569	1.5
185.99580	7.0
189.05586	8.2
190.02715	1.7
197.99590	5.2
208.03790	6.2
209.06091	4.1
213.99057	2.6
214.36304	1.2
223.07710	7.0
224.08397	1.8
225.05693	1.3
229.01604	1.9
233.06151	2.1
235.07605	4.4
237.05487	1.9
241.98509	2.3
243.37401	1.3
251.07150	9.6
252.07863	3.1
253.08745	1.7
255.06555	4.9
261.05582	3.7
262.06290	3.3
263.07190	7.6
264.07742	1.9
265.05075	1.6
267.06674	1.9
268.07367	10.2
269.08170	6.7
269.98074	19.3
270.98547	1.9
277.08780	1.4
278.05896	1.6
279.06656	14.4
280.07416	69.6
281.07925	7.6
283.09796	18.9
284.10165	1.5
285.00467	5.3
285.03793	1.3
295.09766	100.0
296.10043	6.7
297.07715	8.5
297.97565	23.2
298.08484	14.5
298.98282	1.6
299.04346	4.7
313.00055	26.6
313.05823	11.0
313.10797	36.5
314.00439	1.9
314.06711	4.4
314.10910	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1084
Annotation	7-Hydroxy-2,3,4,6-tetramethoxyphenanthrene
Peak:m/z	Relative Intensity
58.55728	0.8
69.65691	0.8
70.25974	2.7
74.38119	0.9
82.85663	0.7
95.81187	0.8
96.32928	0.8
108.02193	1.0
109.02951	2.1
121.02939	0.7
123.04424	0.8
125.09724	0.8
134.03748	8.5
136.01703	1.0
137.02454	40.8
138.02762	0.9
145.02988	5.8
145.98598	0.8
147.04532	0.8
149.06049	3.0
161.02472	1.4
162.03271	3.6
166.87323	0.8
169.12326	3.1
173.02344	0.8
174.03221	1.5
175.03998	0.7
183.07883	0.8
193.06424	0.7
195.81461	0.8
196.03711	1.1
209.06087	2.2
211.03801	0.8
212.04744	1.0
213.05624	1.6
225.05591	1.0
226.06371	0.8
227.07146	3.5
236.04532	0.9
237.05565	8.1
238.06161	1.4
240.04193	0.9
241.05119	1.1
253.05060	1.5
254.05920	4.7
255.06653	7.0
265.05066	17.1
266.05780	4.6
267.06754	1.0
268.03836	1.3
269.04776	0.8
269.08221	2.1
270.08527	0.8
279.06552	3.3
280.07260	1.1
281.04535	1.5
281.08078	0.8
282.05386	9.7
283.06143	74.8
284.06448	4.6
295.22839	4.3
297.04303	1.3
297.07660	10.8
298.05200	2.0
298.08469	50.2
299.08792	4.4
313.07297	7.8
313.10809	100.0
313.23825	35.3
314.07718	1.4
314.11102	7.6
314.24182	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1084
Annotation	7-Hydroxy-2,3,4,6-tetramethoxyphenanthrene
Peak:m/z	Relative Intensity
50.75785	0.3
56.68969	0.3
60.59178	0.4
62.22584	0.3
65.89738	0.3
68.99802	0.5
69.38348	2.2
74.38128	0.5
79.01882	0.9
93.03435	0.7
95.04993	0.5
97.06581	1.0
98.22466	0.8
108.02151	0.7
109.02953	2.3
119.05016	1.1
121.02992	2.2
123.04499	0.6
125.02416	1.0
125.09711	1.4
133.02968	2.1
134.03751	1.5
135.00890	0.7
135.04556	0.7
136.01707	0.5
137.02454	25.4
138.02766	0.8
145.02966	3.8
147.04494	0.6
149.02432	0.4
150.03201	0.8
151.00404	0.6
161.02429	1.7
162.02078	0.4
162.03276	2.8
163.00349	1.0
163.03963	0.7
165.01938	0.7
173.02405	1.1
174.03229	2.0
175.04005	4.7
176.04518	0.6
177.05502	0.8
182.02113	0.5
183.04420	0.5
185.06023	0.5
193.05051	0.5
195.04523	0.7
196.05215	1.1
199.07561	0.6
209.06035	2.1
211.03998	2.4
211.07605	0.8
212.04736	1.6
213.05566	1.3
214.06126	0.5
223.03845	0.6
224.04724	1.6
225.05521	1.0
226.06252	1.3
227.07071	3.0
236.04678	0.5
237.05608	5.0
238.06189	1.3
239.03403	0.9
240.04301	3.8
241.04990	1.1
251.07106	1.2
253.04939	1.5
254.05855	3.9
255.03084	2.8
255.06648	10.4
256.06677	0.4
265.05084	10.5
266.05801	2.2
267.03186	0.5
267.06552	1.2
268.03769	12.9
269.04492	3.1
269.08167	4.5
270.01862	0.5
270.05313	0.7
270.08752	0.9
279.06631	3.4
280.07239	0.9
281.04413	1.3
281.07980	1.4
282.05356	3.3
283.02582	2.3
283.06119	46.5
284.06461	3.7
285.00412	0.5
297.03976	4.4
297.07602	7.4
297.97586	0.8
298.01282	1.4
298.04761	19.2
298.08392	22.9
299.05188	1.5
299.08844	1.4
313.07132	18.2
313.10745	100.0
313.20132	3.3
314.07477	1.8
314.11090	8.1
314.20517	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1083
Annotation	2,3,9-Trimethoxypterocarpan
Peak:m/z	Relative Intensity
55.07027	0.4
55.84212	0.5
56.69072	0.5
59.01371	0.7
67.01859	0.4
69.03421	0.7
71.01371	0.6
71.28572	0.6
73.02904	0.6
79.01898	3.5
83.05040	0.5
85.02936	0.5
85.06567	0.4
93.03446	0.5
95.05018	1.0
97.06573	1.8
108.02164	2.0
109.02950	1.6
111.00829	0.8
111.04559	0.6
117.03453	1.9
121.02963	11.6
123.04476	1.1
125.02410	0.9
125.06080	0.6
133.02858	0.5
134.03735	6.3
135.04500	1.9
137.02396	0.6
143.07098	1.6
145.02913	1.1
146.14449	0.5
147.04526	2.2
148.05295	4.3
149.06039	1.6
150.03156	0.8
151.00371	4.1
151.03998	6.4
161.02396	1.1
163.04010	4.0
164.04805	2.4
165.09129	1.1
169.01414	0.6
173.06009	0.9
173.11670	0.6
175.04005	6.1
176.03319	0.9
176.04800	14.7
177.01984	2.3
177.05545	3.9
181.06627	0.6
183.10211	0.7
187.03885	0.5
189.05540	1.9
190.06381	4.1
196.03720	1.0
197.11827	2.7
212.04747	0.8
213.05553	0.9
214.06252	0.9
215.12830	1.5
225.05545	1.7
226.06253	0.7
227.07156	2.6
237.05432	0.6
238.06302	0.6
239.07146	0.8
240.04237	2.2
241.05045	5.9
241.08676	1.0
242.05707	1.2
242.09540	0.6
251.07188	0.9
252.07867	1.2
253.05057	0.7
253.08652	1.7
254.05765	1.7
254.99417	0.6
255.02629	0.5
255.06587	5.1
265.04962	1.0
267.06525	0.6
269.04480	6.8
269.08096	2.2
270.05054	1.5
270.08887	1.5
270.98959	0.6
279.06555	2.1
280.07364	3.8
281.08145	6.0
282.05441	0.6
282.08731	1.3
283.02936	0.8
283.06125	11.2
284.06314	0.6
295.06149	11.3
295.11658	1.0
296.06589	2.3
297.04303	1.0
297.07635	14.5
298.01276	1.0
298.04730	11.8
298.08359	33.8
299.05298	0.8
299.08658	2.5
313.07104	20.8
313.10739	100.0
313.20184	10.0
314.00613	0.7
314.07397	1.4
314.11075	8.8
316.41367	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1085
Annotation	7-Hydroxy-2,3,4,6-tetramethoxyphenanthrene
Peak:m/z	Relative Intensity
50.10672	0.6
50.77640	0.6
52.67414	0.6
57.18241	0.6
58.13726	0.5
59.01357	0.7
64.26370	0.6
68.04295	0.6
68.98884	2.1
68.99306	3.9
79.01895	3.6
98.22526	1.5
108.02148	0.9
108.15745	0.6
109.02946	1.8
121.02937	1.1
123.01006	0.6
125.02441	0.9
125.09640	1.3
133.02896	0.9
134.03749	0.7
136.01706	0.8
137.36440	0.7
139.48732	0.6
145.75661	0.7
147.04497	0.7
151.00362	5.6
152.01114	1.9
158.03650	1.4
159.04420	0.8
161.05867	0.8
177.01927	1.4
187.09752	1.2
197.06013	1.5
198.06784	0.9
209.06032	1.1
211.03940	2.7
213.01808	0.8
215.03360	0.6
225.05595	6.2
226.06100	0.9
227.03467	1.3
228.36327	0.7
239.03473	1.6
239.07256	1.6
240.04199	1.3
241.05057	1.3
253.05063	7.4
254.05859	58.6
255.03079	2.7
255.06116	3.1
267.06635	18.0
268.07367	11.4
269.04510	1.4
269.07846	1.9
269.98111	1.4
270.05319	2.1
270.98691	2.2
271.05533	0.7
280.07422	1.6
281.08295	1.2
282.05334	1.2
282.08670	0.6
283.06058	2.0
285.00208	1.2
286.04782	2.8
295.09717	1.7
297.04590	0.7
297.07599	3.5
297.97388	1.9
298.01550	1.3
298.04776	9.0
298.08426	29.6
298.98288	1.2
299.05386	1.0
299.08646	1.7
300.06354	1.4
312.99826	4.2
313.07172	15.5
313.10773	100.0
314.00534	1.6
314.07529	1.5
314.11121	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	313.1449
Annotation	bacteriochlorin
Peak:m/z	Relative Intensity
68.39480	0.4
100.43672	0.5
108.02222	0.9
109.02960	28.1
110.03273	0.8
111.08180	0.5
121.02976	1.0
125.09704	0.6
133.02962	0.9
134.03761	1.3
135.04483	0.4
147.04559	0.4
149.06116	0.7
163.00435	0.6
165.01930	0.4
173.06058	6.5
174.06519	0.5
187.07681	0.6
188.08366	1.0
189.09206	1.9
197.99458	0.4
212.04762	2.1
213.05586	2.1
224.04785	3.1
225.05566	5.4
226.05919	0.6
239.03532	0.7
240.04283	2.2
241.05077	96.4
242.05763	18.6
243.06223	0.8
253.04948	0.5
255.02998	7.7
255.06621	1.5
256.03207	0.8
256.07321	0.9
269.04474	0.7
269.08002	0.6
270.05228	1.5
270.08966	0.7
281.08633	0.8
281.11813	3.7
283.02667	2.5
283.05319	0.6
283.09674	1.0
288.06134	0.7
297.04108	2.0
297.11328	7.0
297.97693	1.0
298.04852	22.7
298.08408	1.5
298.12054	20.5
298.15491	0.8
299.05133	1.5
299.12512	1.4
312.99805	1.2
313.07309	19.4
313.11118	5.0
313.14447	100.0
313.23672	2.4
314.07465	1.4
314.11115	0.6
314.14780	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	313.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13906	0.5
57.03231	0.5
57.03451	6.1
61.65555	0.5
65.95175	0.5
66.30223	0.6
69.03460	1.1
80.02674	0.8
83.05009	0.7
95.05015	1.9
97.06593	16.5
117.17081	0.6
123.08178	9.9
125.09731	100.0
126.10037	3.1
141.09285	0.8
143.10822	0.5
151.63774	0.5
157.08701	7.0
159.10268	1.1
169.08731	4.0
171.10269	3.7
173.11827	4.0
185.11821	3.9
187.09763	4.0
255.02998	5.0
255.06775	0.7
264.98770	0.7
283.02521	3.2
283.05719	0.8
295.22888	0.9
298.04898	5.2
298.08295	1.1
313.07254	4.0
313.10916	2.2
313.20288	31.3
313.23914	6.2
314.20645	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	313.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96391	1.3
57.03455	12.4
59.01369	3.3
69.03469	2.0
69.14231	7.8
69.14654	5.4
69.49152	1.6
77.03976	5.3
79.01900	3.9
81.03442	1.8
83.05025	17.3
85.06605	2.6
93.03470	1.8
95.05033	3.8
97.02956	3.8
97.06596	17.8
109.02959	5.2
109.06606	3.5
111.08164	62.7
111.08914	3.3
113.09740	7.2
121.02981	16.4
123.04535	1.8
123.08159	10.5
125.02456	1.9
125.09732	100.0
127.11305	4.7
129.09274	1.7
132.02206	4.2
134.03743	3.1
135.04504	1.9
137.02457	3.4
139.07663	2.6
141.09253	3.5
149.02475	4.0
149.05978	2.1
151.03978	2.3
155.10796	4.3
157.08716	98.8
158.09073	2.9
159.10277	32.9
164.01192	3.3
165.01927	13.2
169.08658	3.1
171.10291	82.9
172.10654	2.9
173.11844	54.1
177.01894	2.1
178.02721	4.6
183.03014	1.8
185.11832	1.8
187.09805	4.1
193.01474	3.5
199.13464	2.7
219.74023	1.9
225.15154	2.0
241.05103	2.7
254.05988	2.2
255.02948	10.8
255.06630	3.5
269.04565	3.5
270.09021	2.7
281.10950	3.1
283.02661	4.1
283.08923	2.2
285.20813	4.1
295.19193	2.1
295.22592	5.3
297.04184	2.0
297.10507	3.7
298.04861	68.6
298.08057	3.2
298.11002	8.8
299.05209	5.6
313.07193	70.7
313.10736	21.8
313.13614	31.7
313.20227	75.3
313.23810	71.6
314.07495	8.1
314.10959	3.2
314.20581	5.9
314.23856	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	313.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32459	0.7
56.10061	0.7
57.03462	1.9
58.00581	2.5
59.01355	1.0
69.26155	1.7
69.26554	3.6
69.40710	0.8
83.05032	2.8
97.06585	4.8
99.08163	20.2
109.02940	0.9
109.06602	1.4
111.08157	9.7
113.09702	1.3
116.92838	0.9
121.02962	1.3
122.01202	0.8
123.08148	1.6
125.09736	19.4
127.07683	3.6
129.09229	20.4
139.73206	0.7
146.14661	0.7
155.10823	0.8
157.08708	17.3
159.10287	5.1
165.01947	1.2
169.08678	0.8
171.10278	13.8
173.11836	12.0
183.13911	32.4
184.14259	1.5
187.09732	1.1
195.13942	5.6
213.14743	0.7
269.04300	0.7
277.21655	3.4
283.22278	0.8
295.22778	12.0
298.04941	4.0
311.21994	1.0
313.07172	4.3
313.10727	1.9
313.20248	13.4
313.23807	100.0
314.20670	1.2
314.24231	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	313.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.1
58.00590	3.3
58.37648	0.4
59.01385	0.5
61.98819	0.4
64.08369	0.4
69.24781	2.1
69.25190	0.7
83.05037	2.9
88.13104	0.5
97.06593	1.6
99.08165	18.3
101.09731	0.5
109.06601	1.0
111.08167	12.0
113.09726	0.5
125.09736	0.9
125.17587	0.4
127.07661	3.8
129.09229	20.2
130.09589	0.7
132.51855	0.4
136.09154	0.4
157.08627	0.7
179.14423	0.6
183.13910	41.5
184.14256	1.7
195.13930	3.3
227.56067	0.5
277.21829	2.2
295.22797	9.0
313.20483	5.4
313.23834	100.0
314.24203	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	313.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.3
69.09323	1.9
69.59660	0.2
83.05000	0.2
97.06602	0.5
98.21793	0.5
111.08237	0.3
125.09705	1.1
127.11259	1.2
135.25224	0.2
139.11322	0.5
141.12836	0.6
141.64977	0.3
155.10791	2.9
155.14467	0.2
157.12334	0.3
162.13664	0.2
171.10274	4.9
173.11858	0.3
239.23875	0.2
267.23273	0.5
269.25000	0.3
277.21683	0.5
293.21179	0.3
295.22787	6.8
296.23019	0.4
298.04849	0.8
311.22446	0.8
313.07178	0.8
313.23856	100.0
314.24216	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	313.2387
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
59.01364	0.5
70.48852	0.7
74.74487	0.3
97.06618	0.5
97.91948	0.3
102.10004	0.3
105.63803	0.4
111.08171	0.4
113.09733	1.0
121.02981	0.5
134.03761	0.4
135.04532	0.3
137.02473	3.4
141.09236	0.3
143.10805	1.2
145.02974	0.4
157.08667	0.8
169.12352	8.2
225.72412	0.3
227.07127	0.4
237.05502	0.4
241.01477	0.3
249.22333	0.3
254.05806	0.5
255.06560	0.6
265.04932	1.8
266.05713	0.5
269.04507	0.5
277.21722	1.4
280.07443	0.3
282.05344	0.5
283.06146	4.6
284.06427	0.4
295.22791	15.6
296.23199	1.3
297.07651	0.5
298.05087	0.7
298.08374	3.9
299.08673	0.7
311.22305	1.3
313.03506	0.9
313.07214	1.8
313.10849	8.1
313.23856	100.0
314.07767	0.3
314.11279	0.8
314.24219	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	313.2387
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
57.03438	0.6
59.01363	0.7
62.64325	0.4
67.02463	0.4
71.96687	0.4
99.08134	0.4
108.02109	0.5
109.02962	8.6
109.43894	0.4
121.02967	0.5
124.01638	1.0
125.09711	1.3
127.11297	1.0
139.11298	0.5
148.05269	0.4
149.06047	1.6
155.10793	8.2
157.12331	1.1
163.04034	1.4
163.55357	0.4
165.05609	3.5
171.10304	5.6
248.31984	0.4
251.20114	0.9
277.21686	1.4
283.08841	1.0
295.19482	0.8
295.22772	12.7
296.23138	1.0
298.11096	0.9
311.22235	1.2
313.00031	0.5
313.10767	1.8
313.20639	4.4
313.23853	100.0
314.24213	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	313.2382
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
57.03444	1.0
58.01130	0.5
67.85757	0.4
69.03434	0.6
69.34733	2.5
69.92210	0.8
77.68113	0.4
93.56640	0.4
100.00806	0.4
249.22141	1.1
251.23807	68.9
252.24098	5.5
269.24832	1.9
295.22787	27.1
296.23169	1.9
298.04541	0.5
313.23859	100.0
314.24194	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	313.2753
Annotation	2-Methoxyoctadecanoic acid
Peak:m/z	Relative Intensity
50.77947	0.8
51.80488	0.7
63.84650	0.7
69.03358	6.6
72.29230	0.7
73.35577	0.7
87.44009	0.8
96.95887	0.8
174.54848	1.0
185.00813	1.0
211.36708	0.7
267.26950	3.7
311.26071	1.1
313.16934	2.5
313.27509	100.0
314.27847	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	314.0066
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03945	0.4
69.04346	1.3
69.48676	0.2
72.01624	0.2
72.16932	0.2
73.71091	0.2
85.57671	0.2
89.00358	0.2
98.21724	0.3
104.83966	0.2
119.01350	0.3
131.01370	1.2
134.03691	0.3
135.04498	0.2
136.01666	0.6
137.02461	0.6
143.01424	0.6
147.00888	0.4
151.00464	0.2
159.00882	1.8
170.34012	0.2
171.00870	2.9
174.88469	0.2
187.00385	5.9
188.00670	0.2
199.00414	2.4
200.01050	0.3
202.76016	0.2
202.99940	0.3
213.01855	0.3
214.02348	0.2
214.99875	11.1
216.00201	0.7
225.98814	0.2
226.99831	0.8
241.05060	0.2
242.99352	30.3
243.99701	0.9
254.99342	0.3
255.03036	2.1
255.05975	0.3
255.06441	0.2
256.07361	0.3
258.01654	0.6
270.98856	100.0
271.99194	4.8
283.99673	1.2
285.00357	1.8
286.00995	1.3
297.00275	0.2
298.98343	75.0
299.98837	5.3
300.02756	6.3
300.05600	0.1
312.99936	2.7
314.00687	67.3
315.01086	4.5
315.05096	2.6
315.08792	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0148
Annotation	3-O-Methylellagic acid
Peak:m/z	Relative Intensity
55.71098	0.2
59.70075	0.2
60.61845	0.3
63.53323	0.2
76.84333	0.5
80.68886	0.2
83.08520	0.2
93.43465	0.3
98.22526	0.6
108.02122	0.8
123.04533	0.5
132.02101	0.5
136.01584	0.5
137.02406	0.4
144.02136	0.5
148.01628	0.4
150.03282	1.2
152.01086	0.6
160.01674	1.8
172.01685	1.9
176.01161	0.5
182.02139	0.5
188.01201	1.4
191.03447	1.3
192.04309	1.6
200.01157	3.0
216.00630	4.6
226.99895	0.7
228.00595	0.8
242.99361	2.2
244.00105	3.4
270.98828	1.5
271.99567	0.9
282.98782	0.7
298.98151	1.5
299.99115	100.0
300.99438	5.4
315.01480	56.9
315.08490	1.4
316.01788	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	315.0149
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41678	0.2
56.77468	0.2
60.67254	0.2
65.00331	1.7
69.27229	1.5
72.23678	0.2
73.02898	0.2
76.25221	0.3
76.84367	0.2
83.16801	0.2
84.04003	0.2
89.00357	0.3
93.03459	0.7
95.01400	0.3
97.02961	1.0
103.65154	0.2
109.02960	0.8
121.02950	2.9
123.00866	0.3
124.01689	0.3
125.02424	0.5
126.82213	0.2
132.02196	0.6
135.00867	0.3
137.02443	0.3
139.04025	0.4
144.02187	0.5
147.00890	0.4
147.04570	0.2
148.01767	0.4
149.02470	1.0
149.99602	0.2
151.04022	0.3
152.01166	0.3
153.01953	0.6
159.04593	0.3
159.30791	0.2
160.01677	1.3
163.00372	0.7
165.01926	4.5
172.01683	2.2
176.01196	0.4
177.01945	0.4
187.00522	0.3
188.01038	1.2
193.01381	1.1
200.01196	2.4
203.03391	0.3
214.99948	0.4
216.00652	5.2
217.01164	0.3
226.99881	0.5
228.00571	0.8
229.05064	0.6
230.99345	0.4
231.02965	0.3
242.99373	2.4
243.03015	0.8
244.00117	3.9
248.23077	0.3
254.99196	0.3
255.02893	0.3
269.08536	0.3
270.99249	1.9
271.02225	2.1
271.99573	1.1
272.02789	0.3
282.98862	0.8
286.98520	0.3
287.02188	0.3
287.05493	0.3
297.00641	0.3
298.98401	1.7
299.99121	100.0
300.99475	6.7
315.01511	49.4
315.05002	3.9
315.12424	1.4
316.01822	3.5
316.05258	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.015
Annotation	Unknow
Peak:m/z	Relative Intensity
69.14304	1.3
69.14719	0.9
74.60419	0.3
76.84349	0.5
98.22591	0.6
103.78805	0.4
109.02897	0.4
130.73294	0.3
131.15100	0.4
132.02142	1.3
133.80206	0.3
144.02171	0.7
148.01659	0.6
160.01657	1.4
161.32457	0.4
172.01656	1.5
176.01117	0.4
183.28818	0.3
188.01186	1.1
200.01210	2.7
208.04350	0.5
216.00679	4.3
226.99809	0.6
228.00668	0.9
232.10342	0.4
242.99332	3.0
244.00108	3.2
255.03111	0.5
270.98825	1.5
271.02374	2.1
271.99643	0.7
282.98810	0.7
287.02054	0.3
298.98297	1.1
299.99146	100.0
300.99454	5.4
315.01505	51.5
315.04532	1.4
315.08752	0.6
316.01797	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	315.0514
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36714	0.3
51.24129	0.2
51.45445	0.2
60.94319	0.2
64.57150	0.2
65.00362	0.3
69.01101	0.5
69.01498	1.8
94.67714	0.2
98.21764	0.4
107.01465	1.0
108.02184	1.9
111.08275	0.3
117.44891	0.2
124.01740	0.4
135.00931	0.6
136.01636	0.2
137.02446	0.3
143.47455	0.2
147.00945	0.5
148.01671	3.2
151.00429	1.1
152.01094	0.3
153.85954	0.3
163.00433	1.0
164.01221	0.9
187.04053	0.4
191.03500	0.4
192.00757	0.3
198.03265	0.3
199.04065	1.1
201.01999	0.3
203.03572	0.5
211.04045	0.5
215.03569	1.1
216.04254	0.7
225.05550	0.2
226.02658	1.4
227.03502	2.9
243.02982	11.8
244.03503	0.8
244.42484	0.2
254.02234	2.1
255.02998	24.5
256.03372	1.4
257.04410	0.2
271.02487	59.1
272.02954	4.1
299.02087	1.6
299.05087	0.3
299.99359	6.1
300.02740	100.0
300.99741	0.3
301.03107	6.3
315.01523	3.4
315.05087	39.2
316.01862	0.4
316.05405	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	315.0512
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
52.66874	0.6
52.72796	0.6
53.51280	0.7
54.33548	0.6
54.89722	0.7
60.79475	0.6
62.80724	0.7
63.02408	6.9
65.00320	3.9
69.89124	0.8
70.55904	1.7
77.42186	0.8
83.01394	7.6
107.01402	11.8
108.02175	2.9
120.02121	0.8
123.00906	0.8
124.01665	1.5
125.02421	0.9
125.09714	1.6
135.00882	1.3
136.01654	3.3
148.01707	4.5
149.99586	2.2
151.00375	20.2
152.01154	1.5
163.00374	3.1
164.01143	6.7
169.01396	1.8
172.05330	0.7
176.31248	0.8
215.03383	1.7
216.04301	1.4
226.02686	1.2
227.03552	3.6
243.02989	3.0
255.02928	4.0
256.07736	0.7
271.02423	5.8
272.03055	1.8
283.02438	3.3
299.02014	1.8
299.99234	10.0
300.02728	86.5
301.02982	5.0
315.01675	5.8
315.05109	100.0
315.21732	1.1
316.05389	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	315.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38157	1.2
59.01382	1.1
71.01363	1.4
72.74611	1.1
75.74155	1.2
95.01411	2.1
95.59404	1.1
108.02212	2.4
109.02984	1.8
120.99664	100.0
123.00900	4.4
123.04556	1.6
125.02468	5.3
130.08751	3.8
134.03745	23.8
143.11949	2.5
149.06068	19.9
152.01149	2.0
153.01910	2.3
153.05583	2.9
166.99872	2.2
169.01405	4.3
193.05037	4.1
195.02727	1.4
209.12967	2.2
229.88326	1.4
244.47517	1.1
253.11868	3.1
287.01837	1.7
293.00027	1.2
293.81720	1.3
297.11029	1.3
299.98953	1.3
300.99915	2.7
311.95242	1.2
315.01422	7.1
315.07047	2.3
315.12067	3.0
316.03354	9.3
320.99496	1.2
331.11523	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0723
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
50.57449	0.4
55.11948	0.4
60.12153	0.4
65.41770	0.4
69.56273	2.1
71.01385	2.0
73.02948	1.1
81.03459	1.1
85.02950	1.6
89.02433	0.4
93.03442	0.7
95.01374	1.3
98.21811	0.6
101.02454	1.1
108.02183	100.0
109.02970	44.1
110.03336	1.2
113.02464	1.1
121.02969	1.0
123.00918	1.1
123.04533	1.0
133.02936	0.8
151.04057	1.4
152.01166	67.9
153.01958	37.2
154.02271	1.0
163.04027	1.2
165.01929	1.7
169.10323	0.4
225.04195	0.5
237.21754	0.4
271.95847	0.4
305.98917	0.5
315.07236	76.6
316.07437	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	315.0724
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
63.69680	0.4
69.31174	3.5
69.31513	0.7
71.01373	2.1
73.02951	0.6
81.03487	0.9
85.02956	2.3
93.03467	0.7
95.01389	1.4
101.02475	0.8
106.66441	0.6
108.02184	100.0
109.02979	28.5
113.02460	1.0
121.02969	0.9
123.00844	1.2
123.04482	1.2
124.98291	0.6
133.02911	0.7
151.04031	1.8
152.01166	68.1
153.01956	26.0
153.05554	0.7
154.02367	0.8
163.04044	1.7
165.01979	1.9
195.03067	0.8
207.02963	0.6
244.92480	0.5
315.07245	68.7
316.07507	2.8
331.91672	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08963	0.4
50.45109	0.5
69.52247	2.0
79.72218	0.4
81.03495	0.5
94.15611	0.5
105.66978	0.5
108.02183	16.1
109.02959	100.0
110.03302	1.6
123.00880	1.7
123.04550	1.3
151.03989	0.7
152.01161	18.8
153.01949	72.7
154.02309	1.7
315.07227	72.5
316.07394	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	315.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97507	0.2
55.01884	0.6
55.93542	0.3
57.03440	1.0
59.01373	1.2
65.00319	0.7
65.03945	0.3
67.01905	1.3
68.20605	0.2
68.99826	2.1
69.01443	1.0
69.01865	0.9
69.03465	2.8
71.01365	0.6
71.05015	1.1
79.01912	1.2
79.05516	0.7
80.02679	1.4
81.03463	20.7
82.03796	0.6
83.01391	6.3
85.02980	0.5
93.03466	7.8
93.07102	0.3
94.03835	0.3
95.01391	1.3
95.05033	24.3
96.05365	0.4
97.02959	8.3
97.06591	0.3
99.04526	11.8
105.03477	1.5
107.01387	1.3
107.05002	0.6
108.02191	2.9
109.02968	2.3
109.06573	0.2
111.00835	0.2
117.03441	0.2
119.05038	13.5
120.05382	0.5
121.02977	3.2
121.06585	0.9
122.03746	2.8
123.00934	1.3
123.04536	22.6
124.00746	0.2
124.01671	1.0
124.04882	0.2
125.02456	28.8
126.02741	0.6
133.02872	0.2
134.03731	0.3
135.04527	1.9
137.02507	1.3
137.06094	26.3
138.06409	1.1
139.00443	0.3
139.04025	6.5
140.01186	0.3
141.05594	1.7
143.05104	0.4
145.02971	0.5
145.06583	1.1
146.03699	0.2
147.04544	4.0
149.02438	1.6
149.06081	0.6
151.00372	0.8
151.03989	0.4
152.01154	1.9
153.01968	1.0
159.04527	0.3
161.06105	0.7
163.04021	1.1
163.07677	1.1
164.04791	0.6
165.01930	1.8
165.05586	12.3
166.02719	0.5
166.05930	0.5
167.03510	63.5
168.00662	0.5
168.03830	2.0
169.01442	2.4
171.04509	0.5
172.01584	0.3
174.03275	0.3
177.01953	0.4
177.05539	0.5
179.03506	1.0
180.04276	0.8
181.05104	3.1
183.03000	0.4
187.07719	0.4
189.05597	9.1
190.02711	0.6
190.05818	0.3
191.03516	0.8
193.01483	0.9
193.05074	0.4
195.03026	0.3
197.07430	0.3
199.07661	0.3
200.01273	0.3
209.04565	26.8
209.15488	0.2
210.04919	1.0
213.05586	0.2
216.00647	0.4
219.16438	0.2
221.04573	2.8
229.08728	0.9
231.06587	0.9
240.04620	0.3
241.03595	0.9
243.02974	0.5
244.00089	0.3
247.09921	0.6
248.04283	0.5
253.08881	0.3
255.02832	0.3
255.05132	0.4
269.08170	0.3
271.02469	0.6
271.09790	1.5
286.98352	0.2
287.09521	0.4
299.99164	7.9
300.02646	0.6
300.99423	0.6
315.01630	4.7
315.08762	100.0
316.01935	0.4
316.05136	2.2
316.09073	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0876
Annotation	7,4'-Dihydroxy-3',5'-dimethoxyisoflavanone
Peak:m/z	Relative Intensity
51.69049	0.6
51.99645	0.5
53.97139	0.6
58.16816	0.7
59.01369	1.6
61.26835	0.6
67.00814	0.7
67.97751	0.6
79.01894	1.5
81.03448	2.8
83.05030	7.6
93.03462	3.5
93.18886	0.6
95.05049	0.7
97.06618	2.1
105.03487	0.9
107.05032	0.8
108.02182	49.2
109.03006	3.9
111.04507	1.4
111.08138	1.1
117.03435	0.7
119.05053	1.0
121.02960	6.0
123.03635	1.4
123.04532	26.2
124.04823	0.7
125.09660	1.1
133.02982	1.0
134.03754	12.5
135.04550	8.1
136.01657	1.4
137.02457	2.0
145.02962	1.1
145.85382	0.6
147.04584	3.1
149.06071	2.8
153.12846	3.0
160.05408	0.9
163.00334	0.7
163.04021	25.4
164.01143	2.9
164.04309	0.8
165.01929	1.1
176.01074	1.6
177.01767	0.7
178.02719	1.1
179.03519	5.9
185.06017	1.1
187.13425	2.5
191.03513	62.2
192.03909	4.4
193.05077	0.8
195.06564	0.9
196.03734	1.6
197.11852	2.7
211.07629	1.3
213.05620	3.4
215.12888	10.5
224.04834	1.8
227.07150	1.6
228.07942	0.8
229.04936	1.6
237.05559	1.9
238.06323	2.6
239.07188	5.4
240.04428	1.0
240.07639	1.2
241.05080	9.1
254.05853	1.4
255.06630	14.1
255.19908	0.9
256.03943	1.0
256.07413	19.7
257.04541	1.5
257.07727	1.1
269.17734	0.7
271.06192	5.1
271.09756	15.8
272.06891	3.4
272.09918	1.3
282.05338	1.1
285.04156	0.9
286.98325	0.7
287.06293	1.1
287.09271	12.9
299.99152	5.6
300.02893	1.1
300.06360	8.5
315.01266	2.7
315.08765	100.0
315.18170	7.2
315.21677	2.0
316.09122	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0876
Annotation	7,4'-Dihydroxy-3',5'-dimethoxyisoflavanone
Peak:m/z	Relative Intensity
71.28001	1.3
79.64864	1.2
95.01392	3.7
96.89662	1.1
97.12505	1.1
108.02171	19.3
109.02970	6.4
111.00906	3.5
121.02975	4.8
122.03730	5.1
123.00913	2.8
123.04528	12.8
124.01685	3.6
125.09724	4.6
134.03749	5.3
135.04527	4.5
136.05327	1.6
137.02458	3.3
142.38704	1.2
147.04538	1.7
149.02423	3.0
149.06006	1.8
150.03223	10.1
151.04010	4.2
152.01155	3.1
159.04555	3.0
160.05309	4.9
163.04019	14.1
164.04816	1.9
165.05577	3.0
173.06087	5.2
175.07625	2.2
178.02715	1.7
179.03546	1.6
185.06088	3.9
187.03955	1.7
188.04829	3.3
189.05614	1.5
191.03505	22.8
192.12192	1.3
197.06163	1.3
199.07759	2.6
201.05597	4.3
202.06377	6.2
210.06783	1.9
211.04004	3.8
212.04691	1.3
213.05600	2.8
215.03435	1.6
215.07083	1.7
225.05562	6.2
226.06389	2.6
227.07268	3.5
228.07942	1.7
229.05078	8.5
230.05627	1.9
237.05469	1.4
239.03484	9.2
240.04172	3.0
241.05022	2.2
243.02977	5.1
243.06561	2.7
244.07436	1.5
253.05075	6.1
254.05858	18.5
255.03122	1.4
255.06566	7.4
256.03552	3.1
256.07468	3.0
257.04358	10.8
259.09711	2.1
271.06158	8.8
271.09973	1.4
272.06924	13.1
285.03259	3.7
286.08612	4.5
287.09262	73.9
288.09561	5.4
299.05310	1.3
299.99289	6.0
300.05484	11.2
300.09857	1.3
315.01364	5.4
315.08768	100.0
315.12021	4.6
315.21817	2.0
315.25394	5.6
316.09183	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0877
Annotation	2,3,4,5-Tetramethoxyxanthone
Peak:m/z	Relative Intensity
59.01378	3.7
59.32947	0.4
75.05156	0.4
79.01903	1.4
81.03481	0.5
83.01336	0.6
93.03433	0.5
97.02975	0.5
103.05547	0.5
108.02187	11.2
109.02970	0.5
111.00886	0.9
116.66816	0.4
119.91907	0.5
121.02939	2.2
122.03810	1.2
123.00916	1.1
123.04542	6.6
124.01666	1.2
133.02908	0.6
134.03767	2.0
135.04562	3.4
136.01683	1.6
137.02477	1.1
139.04028	0.7
147.04449	0.7
149.02455	6.1
150.03235	17.6
151.00414	1.0
151.03969	0.9
152.01149	3.1
153.01927	1.5
163.04033	8.1
164.01190	1.7
164.04709	0.9
165.01945	2.4
177.01955	3.6
178.02725	38.9
179.03438	4.4
182.02249	0.9
185.06012	0.6
191.03506	20.7
192.04309	4.3
210.01689	2.3
212.04726	0.5
213.05556	0.7
216.00786	0.5
227.07173	0.9
229.04987	0.7
237.05554	0.5
239.03348	0.6
241.05125	1.0
243.43016	0.5
253.05022	1.0
254.05858	0.7
255.06702	1.4
255.19659	1.7
256.07434	0.8
257.04550	1.4
268.07526	0.5
270.05347	0.6
271.02448	0.8
271.09711	0.9
272.07071	0.7
273.20660	1.1
282.05286	1.3
283.06107	1.0
285.04086	4.4
299.05646	2.2
299.99298	3.7
300.02765	0.8
300.06396	18.1
301.06683	1.2
313.07150	0.8
315.01575	2.8
315.08762	100.0
315.21622	4.2
316.09097	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0875
Annotation	2,3-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-5,7-dimethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
53.97507	0.2
55.01884	0.6
55.93542	0.3
57.03440	1.0
59.01373	1.2
65.00319	0.7
65.03945	0.3
67.01905	1.3
68.20605	0.2
68.99826	2.1
69.01443	1.0
69.01865	0.9
69.03465	2.8
71.01365	0.6
71.05015	1.1
79.01912	1.2
79.05516	0.7
80.02679	1.4
81.03463	20.7
82.03796	0.6
83.01391	6.3
85.02980	0.5
93.03466	7.8
93.07102	0.3
94.03835	0.3
95.01391	1.3
95.05033	24.3
96.05365	0.4
97.02959	8.3
97.06591	0.3
99.04526	11.8
105.03477	1.5
107.01387	1.3
107.05002	0.6
108.02191	2.9
109.02968	2.3
109.06573	0.2
111.00835	0.2
117.03441	0.2
119.05038	13.5
120.05382	0.5
121.02977	3.2
121.06585	0.9
122.03746	2.8
123.00934	1.3
123.04536	22.6
124.00746	0.2
124.01671	1.0
124.04882	0.2
125.02456	28.8
126.02741	0.6
133.02872	0.2
134.03731	0.3
135.04527	1.9
137.02507	1.3
137.06094	26.3
138.06409	1.1
139.00443	0.3
139.04025	6.5
140.01186	0.3
141.05594	1.7
143.05104	0.4
145.02971	0.5
145.06583	1.1
146.03699	0.2
147.04544	4.0
149.02438	1.6
149.06081	0.6
151.00372	0.8
151.03989	0.4
152.01154	1.9
153.01968	1.0
159.04527	0.3
161.06105	0.7
163.04021	1.1
163.07677	1.1
164.04791	0.6
165.01930	1.8
165.05586	12.3
166.02719	0.5
166.05930	0.5
167.03510	63.5
168.00662	0.5
168.03830	2.0
169.01442	2.4
171.04509	0.5
172.01584	0.3
174.03275	0.3
177.01953	0.4
177.05539	0.5
179.03506	1.0
180.04276	0.8
181.05104	3.1
183.03000	0.4
187.07719	0.4
189.05597	9.1
190.02711	0.6
190.05818	0.3
191.03516	0.8
193.01483	0.9
193.05074	0.4
195.03026	0.3
197.07430	0.3
199.07661	0.3
200.01273	0.3
209.04565	26.8
209.15488	0.2
210.04919	1.0
213.05586	0.2
216.00647	0.4
219.16438	0.2
221.04573	2.8
229.08728	0.9
231.06587	0.9
240.04620	0.3
241.03595	0.9
243.02974	0.5
244.00089	0.3
247.09921	0.6
248.04283	0.5
253.08881	0.3
255.02832	0.3
255.05132	0.4
269.08170	0.3
271.02469	0.6
271.09790	1.5
286.98352	0.2
287.09521	0.4
299.99164	7.9
300.02646	0.6
300.99423	0.6
315.01630	4.7
315.08762	100.0
316.01935	0.4
316.05136	2.2
316.09073	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21913	0.6
65.00342	1.0
69.06684	1.9
69.07108	2.2
76.85253	0.6
83.01385	0.8
93.03443	0.8
97.95808	0.5
107.01409	1.4
108.02190	3.9
109.02969	5.4
111.98964	0.6
121.02972	6.5
122.03731	2.0
133.02950	2.2
134.03757	17.8
135.00900	0.9
135.04552	9.3
136.01703	1.8
136.65971	0.6
137.02443	2.1
145.02951	1.4
146.03703	0.9
147.04517	2.3
148.01678	1.9
148.05345	1.3
149.06078	3.0
151.00349	2.7
160.05298	1.0
163.00406	1.0
164.01192	1.1
165.01935	0.7
171.04543	0.8
175.04062	0.6
178.99904	1.2
185.06047	1.8
187.03931	0.6
192.04298	0.8
193.05009	0.6
198.03041	0.7
199.03990	1.2
199.07544	0.7
200.01054	0.7
204.97002	0.6
209.06078	1.0
211.03979	0.8
211.07568	1.0
212.04730	0.8
213.05568	3.5
215.03539	1.1
216.00668	1.2
224.04720	1.2
226.02672	0.8
227.03482	2.1
227.07047	1.6
228.07851	1.2
237.05562	2.8
238.06335	3.9
239.03378	0.8
239.07158	7.1
240.04306	1.5
240.07835	0.9
241.05086	10.0
242.05276	0.7
242.99319	1.0
243.03003	7.5
243.99953	1.0
254.02238	0.8
254.05858	2.3
255.03000	13.1
255.06633	16.8
256.03375	1.0
256.07394	27.0
257.07745	1.5
259.05963	0.8
271.02502	32.2
271.09775	21.5
272.03113	4.7
272.10263	1.3
285.04083	1.1
287.01932	0.8
299.02121	1.3
299.05530	0.9
299.99152	27.6
300.02756	66.1
300.06354	9.8
300.99503	2.3
301.03140	3.9
301.06491	1.0
315.01431	17.3
315.05115	26.1
315.08771	100.0
316.01947	1.4
316.05637	0.8
316.09070	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	315.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03210	0.5
65.00327	1.9
69.36684	3.3
83.01374	0.8
93.03458	0.4
95.01392	0.9
97.02924	0.5
107.01410	0.9
108.02185	75.2
109.02404	0.9
109.03006	1.4
119.05033	0.6
121.02949	1.0
123.00929	0.8
123.04536	37.8
124.04871	1.5
125.02442	0.9
135.04529	1.1
136.01677	1.0
137.02477	2.1
147.04480	0.8
148.01688	0.6
149.02428	0.8
150.03250	1.3
151.00412	1.2
153.01904	0.7
162.03250	1.2
163.04021	36.8
164.04443	1.4
165.01941	1.4
175.40143	0.5
176.01173	2.2
177.01929	1.4
188.00841	0.8
191.03517	100.0
192.03909	3.9
196.03809	2.0
200.01004	0.7
201.05435	0.5
216.00446	1.4
229.05043	1.5
242.99324	1.5
243.02939	0.8
243.99796	4.0
253.05063	0.6
255.02971	0.7
257.04602	0.8
270.99069	2.6
271.02258	2.2
271.06061	1.0
271.99194	14.1
272.99463	0.9
282.05325	1.0
283.06134	0.9
287.01749	0.7
298.98358	1.5
299.05682	1.1
299.99048	31.0
300.02652	3.9
300.06329	2.3
300.99350	1.9
315.01273	23.5
315.05124	4.0
315.08771	38.7
315.18176	0.9
316.01593	1.6
316.09125	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	315.0878
Annotation	Teucrol
Peak:m/z	Relative Intensity
54.12818	0.1
55.01891	0.6
59.01375	0.2
65.70419	0.1
71.28101	0.2
79.01900	15.9
80.02238	0.3
83.05001	0.1
85.06606	0.4
91.05542	1.8
93.03478	0.2
95.01379	0.2
99.83012	0.2
106.04245	0.2
107.05017	0.9
108.02188	3.3
109.02979	2.0
110.03334	0.1
111.04530	2.8
117.03485	0.2
121.02947	0.2
123.04523	2.3
125.09736	0.2
133.02983	0.4
134.03772	2.0
135.04539	100.0
136.01642	0.2
136.04869	3.7
136.05939	0.2
137.02448	0.5
141.31316	0.1
147.51134	0.2
149.09575	0.2
150.03230	0.5
151.04021	1.1
152.01122	0.2
153.05583	3.2
161.02437	1.0
163.04016	1.9
164.04564	0.2
165.05637	0.2
173.06021	0.2
177.01915	0.3
179.03514	51.8
180.03868	2.0
182.02242	0.2
191.03513	4.7
192.04140	0.5
192.23369	0.1
193.05093	0.6
197.04634	0.8
205.05141	0.5
243.03085	0.1
257.04553	0.2
271.06018	0.2
287.09335	0.8
297.07858	0.3
299.99136	0.8
300.02579	0.3
302.37701	0.1
311.34473	0.2
315.01370	0.4
315.08780	14.7
315.21765	0.4
316.09018	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25181	0.2
55.01882	0.4
57.03447	1.1
59.01387	1.2
60.05623	0.2
65.00329	0.8
65.03974	0.4
67.01881	1.5
68.99822	2.3
69.03467	2.8
69.30423	1.4
71.01383	0.5
71.05016	0.7
73.39275	0.2
79.01891	0.8
79.05557	0.6
80.02280	0.2
80.02650	1.3
81.03462	21.6
83.01389	6.9
84.02177	0.2
85.02954	0.7
91.30988	0.3
93.03468	7.9
95.01396	1.2
95.05032	24.9
96.05389	0.6
97.02957	8.8
97.06620	0.3
99.04524	11.3
100.04905	0.2
103.59532	0.2
105.03439	1.3
107.01405	1.4
107.05025	0.6
108.02184	2.9
109.02960	1.7
109.06580	0.4
111.00883	0.3
111.04508	0.4
119.05039	13.4
120.05412	0.4
121.02963	3.3
121.06607	1.1
122.00576	0.2
122.03754	3.3
123.00922	1.8
123.04539	22.1
124.01664	1.0
124.04853	0.6
125.02458	28.3
126.02796	0.8
135.04532	1.6
135.49275	0.3
137.02519	1.3
137.06096	23.6
138.06429	0.5
139.04028	5.8
140.01172	0.3
141.05583	2.1
145.02982	0.5
145.06607	0.8
147.04532	4.2
149.02440	1.5
149.06082	0.6
151.00371	0.9
151.04019	0.4
152.01180	2.1
153.01984	1.2
161.06075	0.6
163.04024	0.9
163.07648	0.9
164.04828	0.6
165.01953	1.7
165.05582	13.2
166.02710	0.4
166.05972	0.5
167.03506	64.5
168.00647	0.6
168.03893	2.1
169.01443	2.1
171.04517	0.4
172.01758	0.4
177.05548	0.3
179.03540	0.8
180.04277	0.8
181.05069	3.4
183.03008	0.4
187.07759	0.3
187.54471	0.2
189.05594	7.2
190.02759	0.4
190.05838	0.3
191.03497	0.8
193.01430	0.9
193.05066	0.7
194.37482	0.2
195.03047	0.5
209.04562	28.0
210.04924	1.0
216.00566	0.2
221.04570	2.6
222.04935	0.3
229.08656	1.1
230.09174	0.3
231.04555	0.2
231.06505	1.1
241.03566	0.8
243.03036	0.7
243.99976	0.4
245.08078	0.3
247.09705	0.5
255.05215	0.3
269.08008	0.4
271.02551	0.7
271.06732	0.2
271.09750	1.2
271.99246	0.3
297.07944	0.3
299.99167	7.2
300.02509	0.5
300.99786	0.5
315.01682	5.1
315.08765	100.0
316.01889	0.4
316.05203	1.8
316.09097	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	315.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38627	0.1
68.99815	0.2
69.03459	0.1
69.04568	1.5
69.15826	0.2
71.01420	0.2
72.99325	0.2
75.96098	0.2
76.84404	0.2
77.03967	0.3
79.01898	1.0
93.03442	0.4
95.01380	0.3
97.02981	0.4
100.21219	0.2
102.78673	0.2
104.02683	0.2
107.04985	0.2
108.02191	3.0
109.02975	0.8
109.71205	0.2
119.05024	0.6
121.02959	2.0
122.03751	0.3
123.00863	0.3
123.04535	1.5
124.01658	0.5
126.88551	0.2
132.02182	0.6
133.32925	0.2
135.04539	0.9
136.01680	3.1
137.02499	1.8
144.02185	0.6
147.04552	1.1
148.01660	0.7
149.02451	1.0
150.03241	5.3
151.00378	1.3
152.01151	2.2
153.01865	0.2
160.01672	1.9
162.03236	0.2
163.00398	0.2
163.04008	1.6
165.01933	2.1
167.24449	0.2
172.01682	1.7
175.03998	0.2
176.01155	0.6
177.01935	1.4
182.02214	3.6
188.01146	1.5
191.03508	3.6
192.04297	10.2
193.01433	0.7
193.04617	0.5
197.11832	0.8
200.01152	2.6
216.00647	4.5
217.01079	0.3
226.99878	0.6
228.00601	0.6
229.05022	0.2
230.99405	0.2
235.76157	0.2
241.10757	0.2
242.99350	2.7
244.00133	3.7
245.00554	0.2
252.27701	0.2
257.04520	0.8
270.98801	1.9
271.99637	0.8
273.07712	0.8
282.98862	0.6
287.05560	0.3
297.07727	0.7
298.98389	1.6
299.99118	100.0
300.99484	7.8
315.01523	53.2
315.05020	4.9
315.08765	6.3
316.01862	5.1
316.05420	0.6
316.09103	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1088
Annotation	Taxicatin
Peak:m/z	Relative Intensity
56.30342	0.4
57.03468	0.3
59.01367	0.6
59.12068	0.3
63.55329	0.3
65.03968	1.1
67.01897	1.0
67.08567	0.3
68.77925	0.3
71.01382	1.0
83.01353	0.5
95.01389	0.8
95.04984	0.7
97.47472	0.3
98.21794	0.7
108.02174	1.5
109.02959	21.3
110.03310	0.4
113.02467	0.4
120.99619	0.7
122.03744	1.0
123.00919	1.2
123.04531	71.9
124.01683	0.5
124.04877	1.8
125.02447	2.0
135.00883	1.3
135.22527	0.4
137.02425	0.5
139.00378	0.5
139.04031	0.4
152.01151	0.9
153.01974	16.1
153.05580	100.0
154.02321	0.5
154.05919	2.6
154.96901	0.3
169.01466	2.6
208.19171	0.3
229.01231	0.5
257.01114	0.5
275.01834	0.9
300.99985	1.3
315.07175	5.0
315.10934	1.9
316.03311	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	315.1088
Annotation	Taxicatin
Peak:m/z	Relative Intensity
54.09628	0.3
70.47367	0.7
70.47706	0.3
70.50954	0.3
71.41898	0.3
84.89964	0.3
93.04915	0.3
95.05058	0.6
108.02222	0.4
109.02959	0.4
120.99626	0.3
121.03038	0.3
122.03744	0.8
123.04533	80.1
124.04865	1.4
131.01974	0.3
136.63335	0.3
152.01208	0.3
153.05585	100.0
154.05902	3.1
242.05989	0.4
249.95724	0.4
260.09079	0.3
291.08618	0.4
315.07416	0.6
315.10858	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1164
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45222	1.0
59.01373	8.4
70.30869	2.5
71.01376	2.3
75.54851	0.8
76.85733	1.0
78.95905	1.3
83.06148	4.1
85.02942	2.0
95.01363	1.8
100.96227	0.9
108.02183	60.4
109.02964	40.9
116.47126	1.1
117.00443	2.9
121.02921	1.7
123.00874	1.3
123.04558	5.7
125.02486	1.7
126.00463	2.3
131.08275	52.8
141.05232	1.6
150.05243	4.7
151.04013	1.2
152.01160	43.8
152.02391	2.3
153.01955	33.8
153.05594	6.8
154.00034	1.4
154.30272	1.1
156.07774	1.4
162.17197	0.9
167.03046	1.1
169.01436	1.9
170.97861	2.2
172.01039	20.7
173.10419	6.7
178.04662	1.2
182.03149	1.0
185.02907	1.0
192.02698	2.5
192.06317	1.2
194.07846	3.7
196.05797	24.1
211.05583	1.3
212.08957	1.3
213.43109	0.9
214.05756	1.7
231.08350	6.8
234.45210	0.9
238.06853	100.0
239.07053	7.5
239.68849	1.0
255.09506	55.0
256.09726	5.0
273.10510	3.8
315.07227	54.3
316.07397	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	315.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03445	2.6
72.10080	0.6
83.05007	1.1
93.03445	1.4
93.68639	0.6
95.05033	30.7
96.64569	0.6
96.98859	0.6
97.06596	100.0
98.06953	2.1
108.02186	0.9
111.08142	1.4
115.06944	0.8
115.07658	8.6
121.57637	0.6
123.04528	0.6
125.09747	1.8
127.11289	2.3
131.07147	1.2
135.03168	0.7
137.81238	0.7
139.11304	6.2
141.05576	3.2
155.10721	1.5
159.06651	18.3
159.10275	0.7
163.04114	0.8
166.55708	0.8
168.71504	0.6
173.11832	51.5
174.12129	3.1
176.45392	0.6
183.10307	2.3
187.09659	1.2
191.03513	2.0
201.11330	7.1
221.04601	0.8
238.86397	0.7
243.15833	0.6
253.18121	5.8
287.09192	1.1
297.17072	8.9
299.99344	1.0
300.05652	0.9
315.08167	2.4
315.18143	87.3
316.18472	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	315.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	6.9
60.80896	0.4
69.03476	0.9
69.09883	3.3
80.02673	0.5
81.03477	0.8
83.05038	7.3
92.14347	0.4
95.05029	0.9
97.06597	14.0
98.06871	0.4
98.22622	0.8
99.08147	2.7
109.06610	1.9
111.08172	36.0
112.08487	0.5
113.09743	0.6
122.86744	0.4
123.08173	7.0
125.09737	100.0
126.10072	3.2
127.07667	4.4
129.09221	1.2
141.09190	0.8
143.10794	2.1
145.08720	17.7
146.09023	0.6
159.10277	10.1
169.08717	3.4
173.02055	0.5
173.08202	9.1
187.09769	41.3
188.10159	1.7
195.13278	0.4
253.18109	6.6
254.18422	0.5
297.17105	10.1
298.17590	0.6
299.99274	3.4
315.01794	1.9
315.18137	93.3
316.18478	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	315.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71013	0.8
57.03450	4.0
60.85859	0.8
66.45305	0.8
69.05988	5.6
69.06395	1.9
79.63985	0.8
86.37667	0.8
86.68980	0.9
95.05023	0.9
97.06588	10.6
98.22481	1.6
103.05396	0.9
105.16392	0.8
113.09726	8.5
115.32237	1.0
123.08177	6.2
125.09736	68.7
126.10070	3.0
127.11289	2.7
135.04538	24.1
135.05544	1.8
141.09235	1.9
147.20769	0.8
155.10796	3.5
159.10280	100.0
160.10620	2.9
164.01227	1.2
169.08725	3.0
173.11836	58.3
174.12196	3.4
179.03522	7.1
180.03824	1.0
187.09804	1.7
300.05325	1.9
315.08636	6.5
315.21790	76.4
315.25253	5.0
316.22177	6.3
329.84320	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.254
Annotation	9,10-Dihydroxystearic acid
Peak:m/z	Relative Intensity
54.86586	0.2
58.00582	0.5
69.10038	0.8
69.10456	1.1
72.65832	0.2
88.82292	0.2
90.65051	0.3
119.85230	0.2
125.09718	1.0
127.11282	3.3
141.12868	5.6
142.13155	0.3
143.10770	1.4
155.10754	1.2
157.12279	0.4
169.12430	0.3
171.10303	2.9
171.13933	1.3
182.36134	0.3
201.11281	1.3
225.16560	0.3
251.23860	0.3
267.23077	0.3
269.24680	0.3
279.23361	1.8
295.22540	0.6
297.24350	8.3
298.24591	0.9
299.99200	2.2
300.99457	0.4
311.22470	0.5
313.23846	4.1
315.01563	1.4
315.25403	100.0
316.20108	0.4
316.25739	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2541
Annotation	9,10-Dihydroxystearic acid
Peak:m/z	Relative Intensity
50.57660	0.3
63.69437	0.3
84.28529	0.3
97.06612	0.3
99.60028	0.3
125.09739	1.0
127.11302	1.4
139.11292	0.5
141.12866	2.1
155.10838	0.8
155.14453	0.3
157.12315	1.3
159.10289	1.8
173.11847	0.7
216.00845	0.3
244.00137	0.4
267.23383	1.1
269.24869	1.5
284.40616	0.4
297.24384	2.4
299.99170	4.9
300.02542	0.7
300.99542	0.4
313.23853	1.7
315.01569	2.5
315.25400	100.0
316.25723	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	316.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82494	0.3
54.94921	0.3
55.89163	0.3
59.01382	2.6
61.24619	0.3
63.93030	0.3
68.01418	2.4
69.84348	0.3
71.01386	2.2
71.03185	0.3
71.28048	0.5
72.80342	0.4
72.99300	0.7
74.99097	1.5
75.43334	0.4
83.01383	0.4
85.02960	1.1
87.00880	0.9
88.04080	0.5
89.02452	1.0
95.01380	2.7
96.04565	0.7
96.96959	0.4
97.02960	0.8
101.02444	1.0
107.01384	1.9
108.02180	2.5
108.04537	0.8
109.02425	1.2
109.02969	2.3
110.02492	28.7
110.03243	1.6
111.00895	1.3
111.02802	0.5
112.04052	8.2
113.02483	0.7
120.99651	2.6
122.06145	1.2
123.00884	6.7
123.04544	2.7
124.01746	0.4
124.04153	1.8
124.04874	1.6
125.02461	11.3
126.02745	0.6
126.05612	2.8
135.03300	0.4
136.04054	100.0
136.99098	1.1
137.02428	0.8
137.04370	3.3
137.06039	0.5
138.01961	0.6
138.03255	0.5
139.00423	2.7
139.02768	2.3
139.03802	0.5
140.01164	15.8
150.05635	0.4
151.00363	1.8
151.04013	1.2
152.01175	1.8
152.03488	2.6
153.01988	3.2
153.05589	4.8
154.02338	1.7
154.04980	13.6
155.03526	16.7
161.04459	0.5
165.01947	1.6
165.04314	1.3
166.99889	3.2
168.00578	0.4
169.01439	11.6
170.01807	0.9
171.99286	0.7
173.02498	0.6
174.99236	0.9
175.04085	0.5
177.01967	0.5
178.05147	1.4
180.04315	0.8
181.03787	0.8
183.06723	0.6
191.03645	0.4
195.02934	0.4
195.06647	2.6
196.06108	0.5
201.01892	0.9
203.03441	0.7
204.04134	0.5
211.02507	1.2
213.98434	0.4
214.00349	1.6
229.01367	0.9
229.05405	0.5
231.02995	0.7
232.03175	0.5
234.62572	0.4
241.03543	0.8
247.02313	0.7
249.04062	0.7
257.00897	0.6
258.01602	0.5
272.07773	3.9
273.00476	0.3
274.00800	0.4
275.01962	2.8
276.02338	0.4
298.09207	2.4
300.99857	5.0
301.07892	0.9
302.00339	0.5
302.03580	0.8
307.02765	1.5
307.53009	0.4
313.05743	1.5
315.52756	0.6
316.03323	10.9
316.07379	5.4
316.10498	6.8
316.53467	3.5
317.02942	0.6
317.08905	0.8
317.12656	0.4
327.99402	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0304
Annotation	3,5,8,3',4',5'-Hexahydroxyflavone
Peak:m/z	Relative Intensity
57.03442	5.5
59.20350	1.0
63.02396	8.8
65.00330	12.2
70.63419	2.8
81.03445	2.2
83.01392	11.6
95.01393	9.3
96.99419	1.2
107.01396	24.5
108.02187	4.5
109.02958	100.0
110.03296	2.8
111.00907	3.6
119.01383	1.9
123.00893	3.8
124.01661	7.8
125.02467	21.4
133.02962	3.9
135.00905	10.3
137.02446	4.0
139.00417	2.8
147.00909	2.1
151.00375	63.3
152.01170	22.9
153.01949	30.1
159.04533	3.4
161.02437	4.6
163.00378	76.5
164.00888	5.0
167.03526	1.2
169.01385	4.5
171.04550	2.5
174.03255	1.7
175.04027	6.6
178.99867	32.8
181.01410	3.7
183.04547	3.9
185.02429	2.6
186.03148	1.2
187.04057	4.9
189.01913	3.5
190.99878	56.3
192.00415	1.2
199.03947	2.9
201.05667	1.7
202.02771	1.6
203.03485	5.4
206.99359	34.0
208.00113	17.6
209.00562	1.3
211.04050	7.6
217.05080	3.7
227.03470	19.8
228.03807	1.4
229.05116	2.8
231.02975	8.4
243.02966	2.4
245.04593	6.9
255.02986	26.2
258.01730	3.0
271.02469	7.4
273.04102	6.9
273.06982	1.6
299.01953	15.9
301.99683	2.4
302.04379	1.7
316.99515	2.6
317.03018	11.3
317.06686	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	317.0305
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	3.6
59.01371	1.9
63.02398	8.6
65.00329	17.3
67.01887	2.2
69.00324	12.9
69.03483	2.1
71.01376	1.5
71.05024	25.6
79.01909	4.1
81.03475	1.7
83.01386	11.4
91.01872	2.3
93.03456	2.1
95.01403	10.9
97.02972	10.7
107.01396	27.2
108.02173	3.7
109.02952	88.4
110.03339	1.5
111.00880	3.1
119.01372	2.6
121.02963	9.6
123.00932	2.9
123.04538	9.0
124.01671	5.5
125.02462	40.6
133.02965	3.7
135.00934	8.5
137.02440	19.8
138.03255	3.3
139.00372	2.8
139.04022	100.0
147.00946	1.5
147.04401	2.0
149.02492	7.5
150.03242	5.1
151.00372	68.3
151.03932	8.3
152.01189	13.6
153.01947	20.5
159.04587	2.0
161.02495	4.4
163.00375	49.4
164.01227	3.7
164.04851	3.0
165.01910	14.6
166.02707	4.8
167.03467	9.3
168.00604	1.9
169.01436	20.5
171.04607	2.4
174.03223	4.1
175.04012	11.6
177.01953	18.0
178.99858	40.6
183.04538	4.1
185.06102	1.5
187.03960	3.4
189.01988	4.1
189.05594	2.6
190.99887	44.7
192.00409	2.4
193.01431	17.3
193.05028	3.1
195.02892	2.2
199.04071	4.3
201.01880	3.1
201.05771	2.3
203.03499	4.3
206.99359	25.6
207.02841	2.3
208.00139	11.0
211.02304	2.1
211.04044	4.8
213.05594	6.1
217.05103	5.1
227.03514	17.9
227.07095	2.1
231.02942	7.3
231.06613	2.4
241.03485	16.6
241.53630	2.9
243.02979	2.3
245.04535	5.8
245.08110	1.7
255.03014	16.5
255.06599	7.5
256.03577	2.1
258.01645	2.8
271.02475	7.3
271.05841	1.5
273.04004	4.7
273.07700	5.7
289.04230	2.1
289.07050	8.7
299.02005	12.3
299.05560	68.9
300.06152	4.5
313.05521	2.4
317.03064	50.8
317.06729	11.4
317.10040	1.9
318.03336	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	317.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.6
59.01371	1.8
63.02404	7.7
64.02728	0.3
65.00329	12.5
66.00652	0.5
67.01894	1.6
68.99821	3.0
69.03448	1.0
71.05016	0.3
71.29895	0.3
73.73569	0.2
79.16438	0.3
81.03461	2.6
83.01392	11.1
85.02963	0.7
91.01876	0.3
93.03482	0.9
95.01388	0.4
95.05033	0.8
97.02955	5.0
105.03451	0.5
107.01401	22.2
108.02242	0.4
109.02962	28.8
111.00897	2.0
121.02962	2.7
123.00906	1.3
123.04539	6.2
124.01696	0.6
125.02454	6.1
125.09706	0.3
126.02707	0.3
133.02965	0.3
135.00887	0.6
135.04556	0.5
136.01691	0.4
137.02455	50.5
138.02751	1.7
139.00391	1.1
139.04018	3.7
145.02972	0.5
148.01677	0.4
149.02454	8.7
150.02919	0.4
151.00380	63.4
151.03934	2.8
152.00703	1.8
152.94563	0.2
153.01944	3.9
155.03500	1.4
158.03763	0.3
159.04520	1.0
160.05243	0.4
161.02408	0.9
161.06073	1.1
162.03267	0.6
163.00380	2.0
163.03969	0.6
164.01239	1.5
165.01942	8.6
166.02681	1.8
167.03511	3.1
169.01442	5.3
170.01729	0.4
171.04536	0.3
173.06075	0.6
175.03966	1.4
177.01936	0.7
178.99873	35.6
179.03375	1.0
180.00208	1.2
181.01524	0.3
183.04543	0.7
185.06139	0.4
187.03998	1.6
188.04784	1.0
189.01930	0.3
189.05540	0.5
190.02678	0.4
190.99924	0.5
191.03487	0.8
192.00633	3.1
193.01424	3.4
193.42427	0.3
194.02003	0.4
195.03032	1.4
199.03987	0.4
201.05583	1.1
203.03508	0.7
203.07111	2.6
205.05096	2.4
206.99513	0.3
207.02972	1.0
213.05499	0.5
214.02692	0.3
215.03313	0.3
216.03943	0.3
217.01263	0.4
217.05086	0.3
221.08385	0.4
227.03494	1.5
227.07047	0.6
229.01410	0.5
229.05077	1.2
230.05705	0.4
231.02963	0.6
231.06642	1.6
240.14975	0.3
243.02931	0.7
243.12267	0.3
245.04515	0.8
245.08231	1.8
247.06116	3.8
255.02925	0.7
255.06680	0.6
258.01440	0.3
261.04086	0.7
271.02512	4.1
271.05594	0.5
273.00632	0.4
273.04065	0.8
273.07678	1.2
288.57681	0.3
289.03543	0.9
289.07169	2.4
299.01953	0.9
300.99197	0.6
301.99658	9.3
303.00046	0.6
317.02972	100.0
317.06674	32.6
317.19147	1.3
317.99649	0.4
318.03317	7.4
318.07050	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	317.0669
Annotation	Taxifolin 5-methyl ether
Peak:m/z	Relative Intensity
55.01874	1.9
57.03463	0.9
59.01360	1.3
65.00323	3.7
70.78680	1.5
70.79034	0.9
71.05021	27.3
71.11679	0.9
77.03976	1.2
79.01895	3.1
80.02742	0.9
81.03458	1.3
83.01397	3.9
85.02918	0.9
93.03506	1.1
95.01385	2.0
95.05077	1.1
95.21955	0.9
97.02953	8.0
97.06580	2.1
107.01424	3.9
108.02176	1.4
109.02962	18.4
121.02978	7.5
122.03762	2.0
123.00912	1.7
123.04530	11.6
124.01612	1.6
125.02466	5.2
133.02963	1.0
135.00838	1.7
135.04599	1.3
137.02466	3.5
138.03235	2.9
139.04022	100.0
140.04378	2.5
141.09233	2.4
143.07159	3.2
147.04485	1.3
149.02455	7.1
150.03236	5.7
151.00380	10.2
151.03978	7.1
152.01094	2.6
153.01920	4.4
158.58170	0.8
161.02492	1.2
163.00366	10.6
163.04039	1.4
164.04796	1.4
165.01967	12.3
165.05585	1.6
166.02722	8.1
167.03531	13.9
171.04512	0.9
174.03235	2.9
175.03984	9.9
177.01956	21.3
178.99887	5.6
181.01433	1.0
185.06146	1.8
187.04080	1.6
188.04875	1.9
189.05612	2.4
190.99905	7.8
191.03503	1.6
192.26593	1.0
193.01428	14.7
193.05051	2.8
194.01781	1.1
195.03014	2.8
199.04037	3.8
201.01958	3.1
203.03490	1.8
203.07243	2.1
206.99344	4.9
208.00137	2.1
211.04132	1.3
212.04797	1.0
213.05603	8.0
216.04283	1.8
217.05103	3.0
227.03532	3.6
227.07144	1.8
229.05077	1.1
231.03011	1.6
231.06627	3.8
240.04337	1.2
245.04459	1.3
245.08279	1.0
255.02994	4.1
255.06648	8.7
257.17581	1.8
258.01682	3.3
271.02600	1.6
273.04153	1.4
273.07715	4.9
289.07224	7.9
299.02133	3.6
299.05606	58.5
300.05975	3.3
301.99637	3.3
316.99414	1.7
317.02924	4.0
317.06665	10.8
317.10123	1.9
317.16235	2.0
317.19788	3.2
317.59790	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43185	0.6
53.94458	0.5
65.00328	1.0
66.46824	0.5
67.01900	4.1
68.99823	7.9
69.03444	2.1
81.03455	2.5
83.01394	8.2
85.02952	1.6
93.03461	3.1
95.01376	0.6
95.05041	2.0
97.02955	14.9
98.21734	1.2
108.02216	0.9
109.02245	1.2
109.02965	18.3
111.00919	3.1
121.02979	6.4
121.04327	0.6
123.00910	1.2
123.03645	0.8
123.04539	15.6
124.01753	0.5
125.02460	8.6
133.02971	0.6
135.04564	1.4
137.02475	4.2
137.03342	0.8
138.03282	1.3
139.04048	7.8
146.03760	1.2
147.04503	0.9
149.02461	21.4
150.03162	1.4
151.00410	1.8
151.04021	6.7
153.01942	9.7
159.04533	2.7
160.05244	0.8
161.02487	1.7
161.06056	3.0
162.03244	1.3
163.00381	1.9
163.04021	0.9
164.01163	1.4
165.01947	14.2
166.02745	4.8
167.03546	3.5
173.06139	0.9
173.53612	0.6
175.04016	2.3
175.07594	1.5
177.05640	1.4
179.03554	2.0
185.06050	1.3
187.03993	3.8
188.04819	2.8
189.01926	0.7
190.02887	0.8
192.00713	1.8
193.01460	4.8
194.02168	0.9
195.03009	3.5
198.01807	0.7
201.05623	2.1
202.06351	1.2
203.07140	7.9
204.07475	0.7
205.05054	7.2
207.03046	3.4
208.03639	1.0
212.04820	1.0
213.05594	1.6
215.03526	0.7
221.08075	0.8
227.07167	1.8
229.05092	3.4
230.05737	0.8
231.02986	1.3
231.06700	4.4
243.12395	0.7
245.08238	5.0
247.06148	11.4
248.06261	0.7
255.06731	1.2
271.06088	0.9
273.04898	0.6
273.07816	2.6
289.07217	6.4
301.99722	5.0
304.19925	0.6
317.06671	100.0
318.07050	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	317.067
Annotation	Taxifolin 5-methyl ether
Peak:m/z	Relative Intensity
59.01366	0.3
61.49795	0.2
63.02402	1.0
65.00328	5.0
65.03974	0.3
70.55669	0.5
71.01374	0.3
71.05070	0.2
81.03455	0.3
83.01383	0.5
83.05060	0.3
87.00897	0.2
89.00338	1.4
91.01906	0.7
93.03463	3.0
95.01416	0.5
95.05032	0.8
97.02960	4.1
97.93999	0.2
104.68067	0.3
105.03519	0.3
107.01404	1.2
108.02201	0.5
109.02986	1.4
109.03601	0.2
110.00130	0.5
111.00880	1.5
115.92064	0.3
117.30542	0.2
121.02966	5.3
122.03781	0.4
123.00916	1.2
123.03627	0.5
123.04538	9.9
124.01677	53.8
125.02526	5.2
126.02865	0.3
132.02193	1.2
133.03004	0.3
137.02435	1.8
139.00459	3.9
139.04030	100.0
140.01103	0.7
140.04358	2.9
149.02463	29.1
149.99583	1.7
150.02881	1.0
151.00397	6.2
151.04016	4.4
152.01204	2.5
153.01976	1.8
153.03065	0.3
154.02737	1.5
160.01678	1.6
163.00385	0.3
165.01949	25.0
166.02316	0.8
167.03517	6.1
168.00653	1.3
168.04173	0.5
169.01427	4.8
169.05084	1.2
171.04637	0.3
175.04085	0.6
176.01114	0.7
177.01938	5.0
178.02237	0.3
178.99883	6.4
179.03453	0.5
183.03018	1.5
183.04466	0.4
185.06158	0.7
187.04053	0.5
189.05643	0.4
190.02957	0.3
193.01434	35.8
194.01869	1.3
195.03017	3.1
195.04651	0.4
199.04007	1.6
201.01962	0.4
211.04025	0.9
212.04851	0.4
213.05598	0.8
215.03535	0.6
216.04349	0.7
223.04166	0.3
227.03506	0.3
228.04277	0.3
229.05057	0.9
231.06660	0.6
232.03023	1.2
239.03542	0.6
240.04305	3.7
241.03592	1.7
241.53751	0.4
255.06815	0.3
256.03830	0.8
257.04562	4.0
258.05228	1.0
267.02979	0.8
271.06140	0.3
273.04462	0.2
273.07642	1.2
284.03345	0.7
285.04071	3.8
289.07190	7.6
290.07608	0.2
295.04501	0.5
299.05597	14.7
300.05954	0.9
313.05634	0.4
316.99380	0.8
317.06635	15.9
317.19653	0.7
317.56223	0.6
318.06998	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0701
Annotation	Unknow
Peak:m/z	Relative Intensity
63.44033	0.4
69.18645	0.6
69.19049	1.9
79.54965	0.4
81.00340	0.4
82.67903	0.4
85.72691	0.4
99.15513	0.4
103.86879	0.4
103.88005	0.3
125.22475	0.4
137.02481	1.2
137.64751	0.4
145.22165	0.4
149.06154	0.5
152.04807	1.7
161.09711	0.8
161.27884	0.4
165.01938	1.7
167.07126	5.4
180.04277	0.7
193.05107	0.9
207.06633	47.5
208.06947	2.5
221.54164	0.4
222.09001	11.3
237.11327	100.0
238.11649	4.7
316.25870	1.4
317.07010	13.5
317.26071	1.2
318.07330	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.5
69.03453	0.4
70.79324	0.7
70.79649	0.6
72.99329	0.7
78.95950	0.4
85.02977	0.5
98.07939	0.5
98.21800	0.5
109.02978	1.2
111.00870	2.9
116.92838	0.5
120.99657	1.8
123.00944	0.5
125.02446	2.6
126.05945	0.4
139.00388	6.5
140.01167	90.2
141.01440	2.1
153.01938	1.1
154.02695	0.8
155.03517	100.0
156.03845	2.8
167.01776	1.0
169.01472	2.3
183.06630	0.5
195.06607	0.5
213.00829	1.1
227.03450	1.7
231.02968	0.6
241.00247	0.6
241.03485	1.0
242.98155	0.4
316.53568	1.0
317.03082	1.1
317.08850	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	317.1032
Annotation	Evofolin B
Peak:m/z	Relative Intensity
67.01877	2.5
68.99814	1.0
69.17312	5.4
83.01383	2.0
95.01391	4.1
99.32766	0.7
100.64780	0.7
107.01389	2.9
108.02184	41.7
109.02991	9.5
110.00142	0.8
111.00898	7.4
121.02949	5.0
123.00897	40.8
123.04535	26.5
124.01682	25.1
125.02478	4.2
135.00896	1.1
137.02428	1.0
138.03174	1.1
139.00375	3.1
147.00897	10.2
148.01654	4.7
149.02443	2.7
153.01978	1.3
153.05563	2.6
159.70131	0.7
162.03242	5.9
163.04024	7.4
168.00702	1.6
169.01469	3.9
189.01961	0.7
196.34787	0.6
229.05107	2.2
257.04553	5.3
272.06891	19.4
273.07291	0.9
287.09271	100.0
288.09634	5.6
301.99667	4.7
302.10678	1.4
309.54688	0.7
316.99316	6.8
317.02570	1.8
317.06305	3.4
317.10162	20.2
317.99939	0.8
318.10800	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	317.1032
Annotation	Bryaflavan
Peak:m/z	Relative Intensity
57.03452	0.3
58.84362	0.2
59.01382	0.4
65.00316	0.3
65.03965	0.3
69.03464	0.3
69.41400	0.8
69.41811	0.4
70.85324	0.2
81.03474	0.4
83.01411	0.3
93.03479	0.3
95.01373	0.4
97.06631	0.3
97.52103	0.2
98.22585	0.4
107.01448	0.3
108.02173	2.0
109.02954	2.6
111.08158	0.3
123.00932	0.2
124.01695	0.4
125.02451	0.8
125.09734	2.8
129.05580	0.3
135.04527	1.4
136.01675	9.1
137.02455	100.0
138.02808	2.6
143.99533	0.2
149.02449	2.5
151.00374	1.3
152.01242	0.3
153.01906	0.7
163.00377	1.5
164.04803	6.3
164.06181	0.3
165.05441	0.3
169.01422	0.2
178.99896	0.6
179.07153	2.7
187.09773	3.3
190.99863	1.4
192.65834	0.2
206.99388	0.6
208.00040	0.5
213.82373	0.2
226.35553	0.2
227.03418	0.4
245.04645	0.3
255.03043	0.4
299.02084	0.4
317.10266	1.2
317.16071	1.0
317.19791	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1033
Annotation	Pterolinus E
Peak:m/z	Relative Intensity
53.60321	0.6
72.76314	0.7
96.07368	0.7
97.06602	0.7
107.01378	0.7
108.02190	6.6
109.02973	1.3
121.02963	0.9
122.03769	0.9
123.04538	4.0
125.02479	2.2
126.80089	0.8
134.03751	3.2
136.01694	0.8
137.02458	6.8
144.29314	0.8
149.02455	1.8
150.03232	17.5
150.64740	0.6
161.02411	0.7
162.03262	7.7
163.04054	4.3
164.04845	1.4
165.05585	36.0
166.05902	0.7
169.01416	2.3
174.67451	0.8
175.04016	1.3
176.04779	2.5
178.02809	1.3
182.02203	7.6
193.05067	45.6
194.05408	1.8
195.06580	1.1
196.03807	2.8
199.51103	0.7
209.70502	0.7
213.05498	1.0
214.06429	0.8
238.06511	0.7
239.07050	1.2
241.05051	2.4
255.06673	1.4
256.07211	1.3
266.05786	1.2
267.06647	2.4
269.04550	8.0
283.06155	9.4
284.06909	28.8
285.07373	1.6
299.09265	100.0
300.09610	7.3
301.99567	0.9
317.10162	8.4
317.19775	1.9
317.59558	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1395
Annotation	Zearalenone
Peak:m/z	Relative Intensity
51.32907	0.4
57.03450	3.0
58.54321	0.4
62.59726	0.3
71.28407	0.5
87.04517	0.6
87.62315	0.4
95.04994	0.6
97.02953	0.5
97.06637	0.5
99.38293	0.4
101.36208	0.4
102.68849	0.3
107.05048	0.7
109.02946	0.7
111.04532	3.7
121.06593	0.7
121.64277	0.4
123.04541	0.9
123.08183	5.2
137.02484	0.5
139.04010	0.6
149.06088	2.6
161.08406	0.3
161.09688	2.1
163.07664	0.4
165.02026	0.4
165.05569	0.7
165.09209	1.2
167.07169	0.6
167.39240	0.4
177.05551	1.7
185.09894	0.4
187.07620	0.5
189.05579	0.5
189.09262	0.9
191.03461	0.4
191.07161	0.6
191.10757	0.7
192.07935	1.3
193.08624	0.4
203.03468	0.5
203.10889	0.5
205.08708	0.9
208.07358	0.8
209.08292	2.5
217.08824	0.4
219.10330	0.9
221.08148	0.5
229.08641	0.5
229.12262	0.4
231.10126	0.5
231.13989	0.8
232.11057	0.4
235.09741	6.7
245.08159	0.4
245.11813	0.4
247.09816	5.7
259.09708	2.7
271.13458	2.1
273.14908	1.9
273.83032	0.4
275.12949	2.6
289.14371	2.7
299.09354	0.5
299.12823	1.3
316.66736	0.6
317.13940	100.0
318.14246	7.2
318.17633	0.6
320.78589	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12498	0.3
54.36066	0.3
57.03442	0.5
58.00594	0.5
59.01378	2.5
61.64399	0.3
69.58342	0.6
69.58741	0.9
73.02962	0.4
81.29585	0.3
83.05016	0.5
97.02943	0.5
98.21889	0.4
108.02195	0.6
109.02961	1.4
111.08160	1.1
113.09753	4.6
123.00879	0.4
123.08105	0.4
125.02435	1.0
125.09713	1.1
127.11320	3.8
129.09218	0.5
137.02440	0.6
138.49971	0.3
139.03995	0.5
139.11224	0.4
141.09233	1.3
143.03464	0.4
143.10805	3.1
151.00346	0.5
151.03903	0.3
152.01134	0.8
153.01973	0.4
155.10779	1.6
157.08682	1.2
157.12349	2.5
163.00418	0.7
167.03482	0.5
169.01454	0.4
171.10277	1.3
173.06053	0.4
173.11810	0.9
177.02061	0.3
187.09824	0.3
187.13414	0.6
190.99823	0.4
201.11349	0.7
227.03375	0.3
258.12527	0.6
273.14902	0.9
281.21371	1.4
297.20816	0.9
299.22287	7.1
300.22864	0.6
315.21796	4.4
316.21997	0.5
317.06769	0.8
317.23340	100.0
318.08392	0.4
318.23682	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.046
Annotation	Fusarubinoic acid
Peak:m/z	Relative Intensity
59.01373	6.0
60.84106	2.2
83.01378	5.3
85.02983	3.8
88.52930	2.4
93.03452	3.6
95.01384	4.7
96.96034	3.2
97.02974	3.7
109.02942	5.6
113.06097	2.7
115.05532	3.2
119.04996	3.9
120.99628	2.4
121.06551	2.9
121.98643	2.5
123.00900	5.7
124.01671	3.7
124.04117	2.4
125.02428	14.3
131.05006	5.6
133.06606	3.3
137.02475	6.9
139.03941	3.5
141.02003	4.0
143.05038	4.9
145.02965	9.7
145.06641	3.9
146.03697	2.8
147.04468	6.3
149.02409	5.8
153.01979	8.2
157.02989	3.8
158.03735	6.3
158.06688	2.9
159.04605	14.3
160.80736	2.6
161.02504	5.1
161.06119	5.0
163.00305	3.0
163.04053	2.8
167.03598	15.0
167.04903	4.6
169.02943	2.9
171.04536	4.1
173.02435	8.4
174.03276	4.0
177.01904	6.5
177.05579	4.0
183.04546	11.2
185.02457	6.7
186.03233	4.2
187.04031	20.6
189.01971	4.9
189.05614	6.5
190.02719	9.6
191.03481	16.4
193.01373	6.0
199.03978	2.8
201.02069	7.2
201.05536	6.3
202.02663	4.6
203.03477	9.3
205.05043	8.9
211.04013	15.2
213.01920	9.0
213.05614	6.6
214.02742	12.1
215.03511	45.0
217.01395	8.9
227.03543	13.2
228.03960	3.3
229.01384	10.5
229.05081	20.1
230.02229	11.5
231.03067	17.6
233.04526	30.1
239.03477	7.6
239.05626	3.1
241.01514	12.3
245.04375	3.7
255.02969	17.3
257.00919	17.7
257.04578	33.2
258.01691	100.0
258.04486	5.0
259.02075	6.5
273.04068	40.6
275.02701	4.8
275.05655	22.5
301.03540	80.2
302.03830	5.3
319.04633	28.4
319.13626	3.9
319.17496	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.046
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76172	1.6
69.17739	4.3
69.18141	9.1
82.68687	1.5
85.02919	2.2
87.33536	1.5
90.32789	2.1
109.02908	3.6
115.05535	5.1
119.05079	2.1
120.99679	2.3
123.00922	3.1
123.08193	2.0
125.02431	6.7
130.04247	1.9
131.04993	3.7
137.02443	5.0
141.01903	1.9
143.05019	7.8
145.02934	5.9
145.06482	1.9
147.04568	5.0
151.00409	1.9
153.01973	5.7
155.04990	3.4
159.04527	13.3
161.02414	2.5
161.06067	6.1
163.03943	3.6
167.03609	2.5
167.05035	7.5
169.02982	3.7
169.06683	2.8
171.04504	7.5
173.02412	3.6
173.06059	2.4
174.03249	2.4
175.04095	3.0
177.01939	3.4
182.03639	3.3
183.04510	20.7
185.02489	2.8
185.06065	4.4
187.04007	19.7
189.01917	2.9
189.05534	4.3
190.02655	7.2
191.03546	19.7
193.01398	4.8
197.02382	5.2
198.03261	3.5
199.04025	5.1
201.01926	6.4
201.05597	5.2
203.03499	4.0
205.05168	4.1
211.04036	27.4
212.04564	1.8
213.01961	5.7
213.05484	2.9
214.02670	9.3
215.03514	72.7
216.03900	3.4
217.01381	7.2
219.06660	2.0
223.70586	2.3
227.03481	5.8
229.01312	7.1
229.05107	13.9
231.03035	4.4
233.04579	37.8
234.04770	2.6
239.03534	13.2
242.02147	1.9
243.03018	3.0
251.05598	7.0
255.02988	4.9
257.04593	29.5
258.01746	4.0
273.03986	2.4
275.01663	2.5
275.05673	3.7
283.02710	3.9
301.03571	100.0
302.03851	6.7
319.04688	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0462
Annotation	Dihydromyricetin
Peak:m/z	Relative Intensity
57.03455	13.1
59.82339	0.7
63.02373	1.0
65.00327	3.6
69.50561	3.5
83.01388	6.0
93.03454	1.4
95.01402	1.4
107.01414	4.0
109.02976	6.1
111.04510	0.8
119.01398	0.8
121.02946	3.3
123.00880	3.1
124.01686	4.8
125.02459	64.0
126.02786	2.1
131.04953	0.7
135.04558	0.9
137.02464	9.9
137.03413	1.3
139.04027	8.0
139.60751	1.0
145.02942	1.2
147.00903	6.1
151.00368	12.5
152.01140	1.3
153.01973	7.5
155.03481	1.3
159.04526	2.2
161.02399	1.2
163.04002	1.1
164.01167	0.9
165.01935	12.8
166.02701	2.6
167.03511	9.5
175.00380	27.9
176.00934	1.1
178.99881	14.2
179.03525	0.9
181.01424	2.0
187.04015	1.7
190.02716	1.8
191.03520	14.4
192.04123	1.3
193.01428	100.0
194.01801	3.7
194.14139	0.7
203.03445	0.8
205.05029	2.0
215.03493	9.4
229.05074	1.9
233.04596	2.8
239.03473	1.2
257.04517	8.4
260.07092	0.8
275.05670	1.0
283.02499	1.3
301.03564	7.9
319.04825	1.2
319.08310	4.0
323.36896	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	13.9
59.01376	4.3
63.02393	1.3
65.00329	2.0
67.07150	0.8
69.55223	2.6
71.01373	2.9
77.21069	0.9
81.03477	1.6
83.01388	7.2
83.05036	1.3
89.02448	2.4
93.03489	2.5
95.01378	1.5
97.02972	2.0
99.04559	0.8
101.02486	1.8
107.01409	4.6
109.02968	6.3
113.02433	1.2
119.01367	1.0
121.02954	5.8
123.00890	5.2
124.01688	4.4
125.02458	76.6
126.02784	2.2
129.07057	1.2
135.04497	2.2
137.02454	14.9
138.03223	2.6
139.04033	8.6
139.07635	1.1
145.02972	1.8
147.00894	5.8
149.02443	1.3
151.00395	14.3
151.03984	1.3
152.01176	2.5
153.01938	7.8
155.03462	2.0
159.04520	2.1
161.02493	3.0
161.06128	0.9
161.68341	0.8
163.03986	1.4
164.01143	3.4
165.01950	18.9
166.02690	3.1
167.03523	12.6
168.03806	0.9
169.01494	1.0
173.02454	1.0
175.00372	27.3
175.03944	0.9
176.00951	2.4
177.01985	1.0
178.99861	13.4
179.03519	2.0
181.01421	2.5
185.02458	1.7
187.04041	1.9
190.02757	1.5
191.03535	14.2
193.01430	100.0
194.01752	3.7
197.04532	2.8
205.05110	1.8
211.04065	1.1
213.05571	0.9
215.03488	9.1
217.05103	1.6
229.05170	1.7
233.04665	2.8
236.06804	1.3
239.03636	1.0
257.04565	8.0
260.06839	1.9
275.05670	0.9
283.02307	0.8
301.03549	10.1
301.12869	1.4
319.04614	2.5
319.08258	10.5
319.14008	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	319.0827
Annotation	4-Coumaroylshikimate
Peak:m/z	Relative Intensity
52.11183	0.9
59.01387	5.1
65.03929	1.3
71.01376	3.8
71.02669	1.4
71.03014	1.3
73.02946	2.4
81.03454	1.5
83.05025	5.9
85.02940	1.1
89.02450	4.5
93.03465	35.4
99.00851	1.0
101.02454	1.8
109.01723	1.3
110.02456	2.6
111.04526	13.6
113.02428	1.1
116.05024	1.3
117.03477	8.5
119.05038	99.9
120.05339	3.2
120.99660	4.2
137.02466	27.3
138.02779	1.4
139.07613	1.6
142.07513	1.1
145.01889	1.7
145.02966	22.7
148.84219	1.1
155.03511	21.5
163.04024	100.0
164.04346	3.8
173.04515	1.6
191.03439	1.6
194.64459	1.0
203.08249	2.4
204.77090	1.0
211.31786	1.2
246.98817	1.4
283.07260	3.0
319.04587	2.1
319.08310	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	319.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10618	0.2
55.01882	0.2
57.37433	0.2
61.40712	0.2
69.65125	1.0
84.83240	0.2
87.00877	0.3
90.89464	0.2
95.05026	0.3
109.02944	0.3
109.06642	1.2
115.20045	0.2
122.03753	2.9
135.04549	0.4
136.05312	1.2
137.02458	0.3
137.06090	7.4
138.06465	0.3
140.57103	0.2
149.02457	1.9
151.07729	0.3
164.08429	2.7
165.05571	0.3
179.10730	1.2
190.12386	0.3
192.07935	8.6
193.08255	0.4
207.10269	100.0
208.10596	5.4
217.08688	0.8
227.50266	0.2
275.16534	0.6
319.08646	0.3
319.11871	1.8
319.15555	0.7
319.19028	0.5
320.12268	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1302
Annotation	Formylfusarochromanone
Peak:m/z	Relative Intensity
51.86821	0.7
52.93295	0.7
53.74809	0.7
59.01384	7.0
66.03481	2.2
67.20153	0.8
68.79966	0.7
80.05054	1.6
82.02965	1.1
82.06644	2.0
84.04559	2.0
92.05079	1.0
93.03479	1.0
94.02985	1.3
94.06107	0.8
94.06605	5.3
94.15320	0.7
95.03807	0.9
95.05029	7.4
96.04556	3.1
97.01698	1.8
97.06616	0.8
100.40488	0.9
106.06660	2.0
108.04576	2.1
109.02945	1.1
109.05330	1.0
110.06133	17.7
112.04089	1.2
119.05054	1.0
120.04489	0.9
120.78882	0.9
120.99649	2.1
121.05337	3.7
122.06133	43.5
123.03258	2.6
123.04546	2.6
123.06446	1.0
124.01628	1.6
124.04037	2.2
125.02482	1.4
134.06128	6.5
135.06865	2.6
136.04027	2.7
136.07704	11.6
137.04886	3.8
138.05595	3.0
139.04012	3.5
140.04347	1.3
141.04529	1.2
144.47070	0.9
149.02452	0.9
149.04855	2.7
161.07170	1.1
163.04030	0.9
163.07443	0.7
164.03535	5.8
165.01942	1.0
166.05089	13.0
167.03532	11.2
167.05859	4.7
178.05112	5.4
179.05888	29.9
180.06653	4.4
181.03769	2.1
183.03053	0.9
187.52563	0.8
189.09566	0.9
191.03526	1.1
199.04900	5.9
202.12355	1.1
203.11780	1.2
211.04874	37.1
211.41617	0.8
212.05209	1.9
215.11942	1.7
245.12953	18.2
246.13370	1.0
247.10910	0.8
257.12933	10.5
259.10895	2.8
282.46518	1.0
289.11948	29.4
290.12201	2.1
301.11951	97.6
302.12274	7.2
319.12988	100.0
320.13318	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	319.1399
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
52.13996	0.9
55.01870	2.0
55.92292	0.9
57.03438	2.2
58.00595	2.5
59.01382	84.9
67.05476	1.0
71.01386	43.7
72.99300	4.3
73.02933	4.2
74.86040	1.0
83.01393	3.4
85.02956	12.9
86.67750	1.2
87.00881	3.5
87.38426	0.9
89.02451	42.9
95.01371	3.9
97.02928	1.5
98.21728	2.0
99.00914	1.1
101.02444	29.0
109.02927	1.5
113.02454	16.6
118.10578	0.9
119.03527	17.6
123.00787	0.9
125.02449	8.7
129.12442	1.0
131.03598	1.5
137.02495	2.4
139.07666	20.6
140.07954	1.4
143.03510	12.4
149.04524	1.0
151.04022	1.0
157.08667	4.7
158.63490	1.0
161.02403	1.9
161.04561	1.8
164.01135	1.8
165.01924	4.2
193.01535	1.1
197.04515	1.8
275.09409	1.1
319.08136	4.5
319.14005	100.0
320.14453	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	320.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07385	0.3
52.56784	0.3
55.01882	0.7
59.01388	2.4
69.72859	1.4
71.05008	0.7
85.02941	1.0
91.80136	0.4
97.06637	0.4
105.05877	0.5
109.02924	0.6
111.04527	0.8
119.07404	0.8
120.24654	0.4
121.06567	0.8
125.02447	0.7
132.08189	0.6
134.09773	42.4
135.10100	1.9
137.04840	0.4
147.08167	1.2
148.11340	0.8
151.03941	0.4
151.07587	0.4
161.08502	1.0
163.07574	0.4
165.09251	0.5
174.09183	0.6
175.10034	1.6
179.07185	0.6
189.11620	0.9
190.12387	100.0
191.12709	5.5
195.06610	1.7
209.08215	0.5
214.16049	0.9
223.06113	3.0
224.06905	4.2
232.17076	3.1
246.11317	0.5
258.14966	0.9
259.13284	0.5
276.16071	19.7
277.10718	0.7
277.16357	0.8
302.13965	3.6
315.13300	0.4
320.15073	10.7
321.13303	4.0
321.16342	0.7
332.77225	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0618
Annotation	(+/-)-Altenuic acid II
Peak:m/z	Relative Intensity
50.14660	0.5
58.59127	0.5
69.02823	4.5
69.39349	0.5
87.04519	1.5
95.05017	0.8
98.39751	0.5
109.02977	0.5
111.04557	2.6
114.71203	0.6
117.03468	1.5
119.05025	3.2
135.04558	3.1
139.04060	1.0
145.02971	6.2
146.68964	0.7
148.01657	1.4
161.02498	0.7
162.03229	9.3
163.04019	38.4
164.04411	1.9
165.09206	2.3
171.08179	0.8
178.24593	0.6
189.01955	6.4
189.09195	0.8
190.02690	2.7
205.08707	5.6
207.03049	0.8
209.08205	9.2
215.07137	8.7
216.07463	0.5
218.05962	1.4
222.01714	0.9
231.13857	0.9
233.08197	100.0
234.08516	6.1
234.55370	0.6
277.07193	53.3
277.14212	4.8
278.07495	3.7
293.14218	0.7
321.06158	5.0
321.13474	7.7
321.17142	4.3
321.24335	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	321.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63108	1.0
51.05020	0.7
52.78678	0.8
57.03445	0.9
59.01384	67.8
66.29383	0.9
67.01866	0.9
69.03454	0.9
70.76868	1.6
71.01363	1.2
73.02962	1.0
79.95752	1.9
81.03474	0.9
83.01367	0.9
85.02940	1.2
93.03467	6.0
95.05047	1.1
96.96018	63.6
97.03001	1.2
103.89503	0.8
109.02961	2.7
113.02495	1.3
119.05042	19.5
121.02959	1.3
121.06571	2.0
122.54359	0.9
125.02466	9.2
134.36455	0.9
137.02444	9.8
145.06624	2.6
147.04543	1.1
151.07660	4.0
161.09697	1.9
163.07671	4.1
165.01978	1.1
165.42537	0.8
167.03519	1.8
169.01450	6.3
177.01822	2.0
179.10841	1.9
197.11737	0.8
217.01157	0.9
217.05154	1.3
241.10838	41.9
242.11226	2.1
284.35126	0.8
321.06512	100.0
321.14981	2.2
322.06735	6.5
324.54190	1.0
334.39572	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55197	0.2
52.34159	0.1
57.27333	0.2
58.56126	0.1
59.01391	0.9
59.47259	0.1
59.60453	0.2
76.73366	0.2
79.24536	0.2
79.95747	1.5
96.96021	100.0
97.95948	0.2
98.21793	0.3
132.60129	0.2
136.07710	0.3
197.11868	0.3
208.75188	0.2
235.23282	0.2
268.38727	0.2
285.40811	0.2
296.12701	0.2
321.06509	6.3
322.06726	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0829
Annotation	2-O-L-ramnopyranosyl-4-Deoxy-alpha-L-threo-hex-4-enopyranosiduronoic acid
Peak:m/z	Relative Intensity
55.01870	2.8
57.03443	7.6
59.01374	9.5
60.12697	2.9
67.98306	3.0
69.03439	6.6
69.63543	8.2
69.63952	6.3
71.01375	24.0
72.99302	5.1
73.02942	8.0
78.95925	6.7
85.02957	36.6
86.20229	2.9
87.00883	100.0
88.98831	4.3
97.02962	16.6
99.00877	6.1
103.04010	7.9
103.92000	4.1
111.00867	10.1
113.02466	9.6
113.99566	6.1
115.00387	11.7
116.94352	2.6
120.99617	3.5
125.02463	7.7
128.03624	4.1
133.01477	6.3
149.41632	3.0
157.01411	7.4
159.01114	5.0
162.50500	3.3
164.89549	33.0
174.01746	3.3
175.02519	28.1
191.02003	4.9
205.05115	2.9
217.03566	15.3
261.06213	4.6
285.51010	2.9
321.02969	5.0
321.06329	11.4
321.08704	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	321.1136
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
65.03123	1.2
65.77979	1.1
68.55576	1.1
69.05769	3.5
69.06191	4.8
73.26284	1.2
79.93970	1.7
93.03452	2.0
95.23270	1.2
98.21819	2.3
103.24979	1.1
112.53089	1.1
117.03473	1.4
124.28444	1.2
172.13887	1.2
185.06110	2.1
191.08754	1.7
200.04713	1.2
207.08171	14.1
212.04753	2.1
213.05504	2.5
219.08080	3.0
221.05972	2.0
221.13754	1.1
234.06847	1.2
235.07681	11.9
262.06311	1.8
263.04422	2.4
263.07138	46.8
264.07434	1.6
274.06430	6.0
277.19922	3.7
290.05923	3.9
291.06665	100.0
292.07056	9.2
305.08206	1.6
306.08984	31.7
307.09158	2.0
321.11304	70.0
321.20541	2.2
321.24066	2.0
322.11716	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	321.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43642	1.0
55.01885	4.9
57.03434	3.2
58.00585	2.7
59.01381	80.5
64.94083	1.1
70.56052	2.8
71.01385	72.4
72.01704	1.5
72.99297	3.9
73.02950	13.5
77.76901	1.0
78.67232	0.9
81.03429	1.2
83.01398	5.2
85.02956	24.1
87.00883	8.7
87.04502	5.6
89.02450	32.0
95.01402	5.2
96.96021	8.4
97.02945	1.9
97.06585	18.8
99.00877	6.2
99.04530	3.9
101.02448	39.0
111.04525	1.9
111.45362	1.0
113.02455	26.1
115.04002	3.3
116.29751	1.1
119.03509	12.7
119.05041	2.5
123.00888	2.1
125.02493	1.1
127.27812	1.0
129.01973	1.5
140.04774	1.0
141.05574	6.6
141.91606	0.9
143.03514	2.3
143.72232	1.0
159.03032	2.9
159.06630	19.9
161.04562	15.5
192.27438	1.0
222.96194	1.1
241.10832	7.5
249.09837	3.4
249.81291	1.1
275.03998	1.1
278.96307	1.3
303.10773	5.2
307.85233	1.1
313.29996	1.0
321.06534	10.5
321.11914	100.0
322.12265	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	321.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75366	0.2
69.10815	0.4
69.11211	1.6
80.40170	0.2
95.01379	0.2
96.95985	0.3
108.02202	0.4
111.00844	0.2
121.06565	0.4
123.04490	0.6
124.01690	4.6
125.02402	0.3
133.06621	0.7
137.06097	0.7
138.03236	1.0
138.88225	0.2
149.06035	1.3
150.03239	0.3
151.04022	6.6
159.04527	0.4
162.03340	0.3
165.05583	10.9
166.05858	0.3
168.00609	0.6
175.03912	0.3
177.05585	14.1
178.05981	0.4
191.07144	0.8
191.10835	0.3
199.07913	0.2
201.09177	0.4
203.07162	1.0
217.08649	0.4
218.09532	0.9
219.10269	26.4
220.10629	1.5
259.13403	0.6
263.09256	2.1
277.14456	10.0
278.14819	0.9
321.13434	100.0
322.13788	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	321.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
80.02676	0.3
85.51241	0.3
95.01440	0.3
98.21712	0.6
121.06610	0.4
123.04544	0.6
124.01657	4.0
125.02525	0.3
131.05067	0.4
131.53589	0.3
133.06621	0.7
137.02423	0.4
137.06102	0.9
138.03250	0.5
149.06113	1.6
151.04005	7.2
159.04535	0.6
162.03239	0.5
164.04774	0.6
165.05576	10.2
166.05936	0.4
168.00591	0.5
175.30460	0.3
177.05574	15.8
178.06073	0.9
191.07146	0.9
191.10907	0.3
201.09210	0.3
203.07127	1.1
217.08681	0.5
218.09383	0.7
219.10265	25.2
220.10638	1.2
259.13443	0.4
263.09265	1.5
277.14459	10.4
278.14755	0.6
292.26376	0.3
321.13431	100.0
322.13791	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	321.1345
Annotation	Cochliospicin A
Peak:m/z	Relative Intensity
65.82048	1.4
68.99815	3.8
71.28381	1.5
79.01904	5.5
97.02956	2.3
109.06662	1.8
111.04513	8.6
113.50622	1.2
121.02879	1.9
123.04523	1.9
123.08165	2.9
125.06078	11.8
137.09741	4.8
139.03970	2.1
143.02411	1.3
145.66658	1.3
147.08104	2.5
149.06142	2.2
158.65091	1.5
161.09711	4.8
163.07652	1.3
165.01965	3.8
165.09239	3.0
166.02736	2.1
167.03508	10.0
179.10760	2.0
181.08727	1.9
182.49850	1.5
191.07133	2.5
193.01418	10.5
196.93678	1.4
205.08640	3.8
206.02245	7.5
207.02972	3.8
209.08138	4.5
217.05070	3.0
219.06659	7.5
220.03749	4.9
223.09842	4.2
231.06699	1.7
233.08214	4.5
235.06122	24.4
237.07700	100.0
238.08112	4.1
249.07684	35.0
250.08124	1.8
251.09251	99.7
252.09575	5.9
275.12802	3.4
279.08286	1.3
293.14130	1.7
321.13458	82.7
322.13766	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1344
Annotation	Chaetoquadrin E
Peak:m/z	Relative Intensity
57.03440	0.6
69.09302	4.3
71.01401	0.5
71.05034	1.3
73.02950	0.5
79.01901	0.9
85.06606	1.6
95.05038	3.4
97.02979	2.6
109.06606	1.7
111.04538	4.1
123.04523	1.1
123.08156	4.0
125.06099	0.7
138.03345	0.5
139.04037	8.4
147.08183	1.5
150.06845	1.0
151.04083	2.4
153.05638	0.5
163.07680	1.2
163.11368	0.5
165.01945	1.8
165.05597	1.0
165.09221	18.5
166.09616	0.5
191.07162	2.0
192.07750	0.4
193.08687	0.9
203.07152	0.7
205.05229	0.5
207.13948	1.1
209.08197	100.0
210.08524	4.1
221.08186	15.2
222.08856	0.6
233.11781	0.9
248.06895	9.6
249.07266	0.7
249.11420	1.5
261.07617	0.5
262.08435	1.6
275.51788	0.5
277.07275	1.8
277.10840	7.6
277.13901	0.8
277.17822	0.4
278.11542	1.6
285.65540	0.6
292.09692	0.6
303.12393	0.8
321.09875	1.8
321.13425	25.9
321.16962	2.2
322.13806	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	321.1346
Annotation	Methoxycurvularin
Peak:m/z	Relative Intensity
55.01830	0.4
59.01367	0.6
68.99817	0.4
69.08966	0.4
69.09585	2.8
96.96033	0.6
98.22637	0.7
98.95592	0.6
109.02959	0.7
111.04550	0.7
121.06581	1.0
124.01673	4.7
125.02418	0.6
125.06107	0.6
128.90411	0.4
131.05011	0.5
137.02374	0.4
137.06119	0.8
138.03247	0.8
138.92639	0.4
149.06090	1.4
151.04018	6.3
151.07700	0.5
159.04532	0.5
162.03264	0.5
165.05580	11.3
166.05972	0.5
168.00642	0.6
177.05583	15.4
178.05896	0.7
180.37491	0.4
191.07071	0.9
203.07190	1.1
215.14403	0.4
217.25362	0.4
219.10263	26.8
220.10551	1.3
230.97104	0.4
259.13602	0.6
263.09299	2.6
277.11264	0.7
277.14474	12.6
278.14890	0.9
291.12622	0.4
321.13437	100.0
322.13773	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	321.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.4
56.78866	0.6
57.03439	1.3
58.00588	1.6
59.01381	49.2
69.04858	2.3
69.05279	2.9
71.01384	24.9
72.99317	1.6
73.02572	0.6
73.02929	3.1
74.99091	0.8
76.17226	0.7
82.29381	0.6
83.01379	2.7
85.02950	7.5
87.00877	1.8
89.02446	26.8
91.19390	0.6
94.52860	0.7
95.01401	3.0
96.95985	0.7
99.00906	0.9
101.02449	16.9
101.03120	0.9
111.00879	7.8
113.02454	10.6
113.09718	2.0
116.05054	1.9
119.03509	8.9
120.99646	0.7
125.02477	4.8
127.37817	0.6
131.03531	0.8
137.06053	0.7
139.00383	29.7
139.03955	0.7
140.00729	1.1
141.09222	11.9
148.20351	0.6
159.10280	16.2
160.04073	3.3
161.02342	1.1
180.40433	0.7
181.08662	1.3
191.03557	1.3
202.05104	1.8
203.03488	0.9
206.05835	2.7
206.09406	1.1
221.08153	2.5
221.11798	7.7
229.05086	4.7
233.11786	0.9
244.07408	11.0
249.11316	1.1
259.09766	7.7
262.07275	2.0
277.10806	7.0
303.14621	1.3
321.04483	2.9
321.10287	4.7
321.15555	100.0
322.09409	2.8
322.15985	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	321.171
Annotation	beta-Zearalanol
Peak:m/z	Relative Intensity
57.03450	3.9
59.01386	1.9
69.18200	1.6
81.73472	0.2
85.02956	100.0
86.03287	1.7
87.89057	0.2
111.04513	0.5
113.09703	1.3
166.35759	0.2
177.97525	0.2
180.52773	0.2
181.08716	9.0
182.09106	0.4
193.08649	0.3
205.08688	0.3
207.10274	0.6
209.08217	0.7
220.11075	0.3
221.08205	0.6
235.09714	0.4
235.13403	6.9
236.13817	0.5
249.07668	0.8
276.77081	0.2
321.13535	1.7
321.17056	24.2
322.13727	0.3
322.17392	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01742	0.5
66.06194	0.5
68.03350	0.5
69.03767	4.3
98.22646	0.6
103.04015	1.1
103.46199	0.5
116.05522	0.4
120.45795	0.5
159.82306	0.6
248.77591	0.5
277.18597	0.7
277.21600	1.3
299.16580	0.9
321.20697	48.4
322.17139	1.1
322.20993	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	322.2025
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
58.02979	2.7
59.01369	0.5
60.50009	0.4
69.17841	0.9
69.18237	1.7
70.37727	0.4
74.88116	0.4
92.85318	0.4
95.05039	1.0
97.06586	0.5
101.45258	0.4
109.06591	0.5
128.10811	6.9
130.08748	100.0
131.09134	1.9
145.14760	0.4
152.62744	0.4
165.12828	0.5
166.14189	0.4
168.39128	0.4
172.09781	0.9
322.20245	28.1
323.20569	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	323.041
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.7
68.99827	1.2
69.48984	4.2
71.01382	2.1
80.48930	0.8
96.96033	1.4
113.02487	1.4
124.01677	2.1
133.02957	10.4
136.01669	1.6
147.04501	3.6
152.01135	1.6
161.02452	100.0
162.02730	4.2
175.03998	8.4
176.04787	21.1
177.01952	7.0
177.05136	1.2
179.03477	1.8
191.03491	14.2
191.07133	7.8
192.00449	0.9
192.04268	9.5
192.97781	3.6
205.01425	80.1
206.01799	3.1
207.06633	17.1
208.00179	3.2
208.06902	1.0
219.02997	20.6
220.03763	49.9
221.04097	3.4
223.02499	8.0
230.99391	2.2
235.06120	81.3
236.06494	3.4
246.01497	1.3
267.67282	1.0
279.05060	5.8
323.04111	31.5
323.07761	1.6
323.11267	1.3
324.04483	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0807
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38261	0.3
59.01380	1.5
69.13483	0.5
69.13886	1.8
71.01386	0.4
79.95744	1.3
83.74138	0.3
95.74780	0.3
96.96017	100.0
125.02460	0.5
141.07088	0.4
143.05048	0.6
171.04523	1.0
173.06104	0.4
180.80515	0.3
185.06078	1.4
195.04480	0.7
196.05246	0.6
197.06038	0.9
199.04004	1.5
213.05606	2.3
241.05048	9.0
241.07404	0.6
242.05341	0.5
243.06688	0.4
257.61914	0.3
273.68063	0.3
323.08069	9.9
323.14478	0.4
324.08392	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0927
Annotation	6'-O-Desmethylterphenyllin
Peak:m/z	Relative Intensity
57.03440	1.6
59.01376	1.7
71.05026	5.5
71.27799	1.0
83.05070	0.6
87.04521	0.8
95.05042	1.8
95.83295	0.5
96.95976	0.7
97.02956	0.7
97.06606	0.5
101.02399	0.6
109.02964	1.4
109.06600	0.9
111.04472	1.1
113.02467	0.7
113.04004	1.1
117.03498	0.5
121.02917	0.7
121.06602	0.7
123.08141	1.2
124.03198	0.6
125.06082	1.0
125.09750	1.3
133.02951	1.1
133.06621	1.0
134.03769	2.4
145.02930	2.8
149.06081	1.0
151.07649	1.9
156.59688	0.6
158.03734	3.8
159.04404	0.9
161.02472	4.4
165.09213	1.1
171.10274	3.6
172.05344	1.2
173.02435	2.4
174.03252	2.5
175.03854	0.6
179.01535	0.6
185.02403	1.3
186.03200	9.9
187.03955	3.3
189.12854	1.4
199.04047	1.1
200.04785	3.4
206.02216	1.7
209.06104	1.2
209.08150	0.8
221.06210	0.8
223.09590	0.9
231.13940	0.8
233.05960	1.0
233.11852	0.7
235.07564	1.4
235.09789	0.8
237.05637	4.3
243.17474	0.9
248.04781	0.8
251.07169	2.6
255.06628	0.6
261.05530	1.4
262.00153	0.7
262.06152	0.9
263.07117	1.8
265.05054	5.4
266.05487	0.6
279.06616	3.5
279.19702	0.7
280.07336	1.9
287.16620	4.1
289.05054	2.3
290.05923	3.2
291.06638	6.3
292.04108	0.7
292.07227	1.2
293.04608	12.8
294.04898	1.0
305.17532	2.9
306.05484	0.7
307.06091	17.1
308.06912	31.5
309.07129	2.8
323.09235	100.0
323.15298	2.5
323.18683	2.2
323.22241	2.5
324.09644	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	323.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63472	1.3
50.93809	1.2
52.59634	1.2
57.03448	7.7
59.01390	8.7
67.05521	3.7
69.53820	5.6
71.01404	1.3
71.05034	3.6
73.02945	2.1
79.05556	1.4
80.02705	1.7
81.03470	2.2
83.05031	2.5
85.02961	16.7
85.06607	5.8
87.04523	11.0
95.05045	17.2
97.02957	1.3
97.06617	1.5
99.08162	2.5
107.05042	3.2
109.02951	1.8
109.06597	3.7
111.04529	41.4
111.08184	4.0
113.02480	4.3
113.06092	7.8
113.09731	13.8
117.86870	1.2
120.05865	1.5
121.03061	1.4
121.06626	3.7
122.03771	1.5
123.04556	3.3
123.08176	5.0
124.01643	1.3
125.06108	4.3
127.07613	2.3
127.29658	1.3
127.30640	1.2
130.08775	2.1
131.05125	2.1
135.08182	2.8
137.06148	3.2
139.04010	8.0
139.07642	4.5
147.08179	2.8
148.05325	1.3
149.02419	1.7
149.06116	15.5
151.04012	3.9
151.07635	2.8
151.11288	1.5
155.07143	9.2
156.51207	1.4
163.04013	1.9
163.07660	6.0
163.11270	2.9
164.08435	2.1
165.05579	5.2
165.09210	22.4
165.12888	1.9
167.07149	12.1
171.10219	2.8
174.06903	1.4
175.03970	3.2
175.11279	3.4
176.04762	2.0
177.05589	3.8
178.06435	2.0
179.03633	1.9
183.06630	62.9
184.06940	1.8
187.83195	1.5
189.12872	1.9
190.06403	5.3
191.07155	12.7
191.10706	3.4
191.14479	2.7
192.07951	7.4
193.05093	6.4
193.12440	2.8
194.05811	2.0
201.09253	3.7
203.07167	2.8
205.08710	1.9
207.10294	4.6
207.13867	5.0
209.08270	2.6
209.11771	2.1
211.06126	3.6
215.10793	4.2
217.12334	10.8
218.05852	2.5
218.09439	3.2
219.06606	1.5
219.10283	33.6
220.10689	1.9
221.08156	8.9
223.09795	5.2
233.08232	4.1
233.11832	13.8
235.06102	3.1
235.09842	6.7
235.13428	19.2
236.06902	2.4
236.10493	1.9
237.11342	6.7
238.08533	1.7
243.10344	7.4
245.08228	5.3
246.08777	1.9
248.10606	2.4
251.12878	2.5
261.11331	100.0
262.11737	6.6
263.09271	14.5
279.12390	24.6
280.09824	1.7
280.12628	1.9
292.07324	1.8
305.10364	13.8
305.17529	2.0
307.06119	1.9
308.06894	7.8
309.07599	1.5
323.11652	52.3
323.14911	3.9
323.18533	11.6
323.22223	4.9
324.11667	4.4
324.18152	11.5
337.63242	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1249
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
56.48626	0.6
58.00582	1.7
59.01380	47.9
71.01385	8.3
72.99311	2.2
78.82806	0.6
78.84076	0.6
85.02982	0.6
87.00874	0.8
89.02446	11.4
90.98608	1.2
96.32423	0.6
97.89713	0.6
99.00942	0.7
100.05360	0.7
101.02447	7.1
119.03502	2.0
124.12160	0.6
145.07721	2.0
146.04872	1.5
155.26367	0.7
159.05585	0.7
160.06433	16.6
160.07689	1.3
161.07213	64.9
162.07600	3.2
175.08766	45.3
176.09119	1.7
189.06708	100.0
190.07047	3.8
191.11139	1.1
203.08272	36.3
204.08652	1.5
229.09837	1.9
235.10020	0.7
261.11685	1.0
295.12830	0.7
305.10986	2.8
323.12418	24.8
324.12674	1.9
329.17462	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28511	1.0
55.01870	1.1
55.77528	0.9
57.03447	1.4
58.00587	4.3
59.01383	100.0
69.53709	3.5
69.54119	2.0
71.01386	41.3
72.99306	3.4
73.02961	1.7
73.55289	1.1
83.01404	1.7
85.02964	8.8
87.00885	1.5
89.02449	54.7
95.01391	3.1
98.21856	1.9
101.02449	29.7
113.02463	19.5
119.03512	25.7
125.02452	0.9
131.03543	2.2
143.03510	1.9
149.04535	2.3
161.04523	1.5
161.08173	1.2
179.05634	3.7
179.31647	1.0
323.13498	73.7
324.13831	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	323.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00586	0.9
59.01382	100.0
60.01709	0.7
65.47240	0.8
69.58743	1.5
69.59135	1.1
71.01385	17.0
72.99324	1.6
73.02973	0.9
83.01400	1.0
85.02971	2.9
87.00875	0.8
89.02450	25.0
92.20722	0.6
95.01434	0.8
101.02453	10.4
113.02461	7.9
119.03511	12.0
131.03506	1.1
143.03566	1.8
143.07135	3.8
161.04590	1.8
179.05684	5.1
270.85355	0.8
303.82990	0.8
323.13492	45.0
324.13858	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	323.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92318	0.8
57.03448	1.3
58.00576	3.2
59.01381	100.0
60.01723	1.1
65.14812	0.9
65.15202	0.9
69.05408	0.9
69.17472	7.0
70.80495	1.0
70.82714	1.1
71.01385	47.9
72.99303	2.9
73.02944	1.5
83.01389	2.2
85.02953	9.1
87.00871	2.5
89.02450	58.7
95.01389	3.4
96.95985	1.1
101.02447	31.0
101.03123	1.5
113.01659	1.1
113.02456	19.1
116.63486	0.9
119.03500	28.2
131.03575	1.2
143.03465	1.9
149.04573	1.5
161.04575	1.9
161.08194	1.5
174.91736	0.9
178.13965	0.9
179.05635	3.0
323.13474	81.7
324.13959	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	323.1501
Annotation	Eremofortin D
Peak:m/z	Relative Intensity
56.68061	0.9
59.01366	3.7
67.01872	1.5
68.99836	1.3
69.66415	3.3
80.42171	1.1
81.03456	6.8
81.07098	1.9
83.01387	2.4
83.05025	2.1
85.02961	6.6
87.00889	1.1
88.14832	0.9
98.03764	1.0
99.08131	1.5
108.02148	1.3
109.02950	3.9
109.06629	1.1
111.00887	9.3
111.04519	1.2
123.04527	3.0
123.08173	8.8
125.06094	100.0
126.06445	4.1
127.07689	2.2
133.06595	1.0
150.03233	3.6
151.04039	1.8
151.07658	1.7
153.09218	5.3
165.09236	1.7
169.08702	3.7
177.05577	1.3
177.09219	1.3
178.09984	0.9
179.07182	3.3
191.14496	1.1
192.07924	1.7
192.52438	1.0
193.08719	34.2
194.09059	1.9
195.06718	1.9
195.10254	1.5
197.08168	2.6
205.05116	1.8
220.07422	2.5
221.04482	1.7
221.08150	1.5
223.06090	2.5
237.07748	3.6
239.09430	1.4
261.15002	5.8
263.12851	16.7
264.13443	1.6
279.15939	3.1
281.13913	5.7
319.11386	1.0
323.15033	61.7
324.15234	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.5
59.01373	0.4
67.17445	0.3
71.05028	0.4
79.45444	0.2
85.02461	0.3
85.02956	0.5
87.00879	100.0
88.01224	1.1
89.22749	0.3
109.95834	0.3
111.04520	0.4
113.09735	6.8
120.65491	0.3
141.05594	0.7
163.04036	0.6
166.06282	0.6
181.08713	61.0
182.09042	2.7
193.08704	0.4
209.08221	0.7
221.08206	1.0
235.13461	0.5
251.07063	0.4
251.16556	0.9
252.07913	0.5
279.06552	0.5
279.12027	0.3
279.16006	1.0
280.62222	0.3
292.07275	1.8
293.08130	0.6
308.06885	1.3
316.56348	0.3
323.09222	1.1
323.15002	8.8
324.15381	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1503
Annotation	14-Acetoxy-5alpha-hydroperoxy-11alpha,13-dihydroisoalantolactone
Peak:m/z	Relative Intensity
57.03444	1.1
57.93718	0.8
59.01366	3.4
69.70948	1.5
69.71343	2.2
71.01390	1.5
79.01898	0.9
79.77217	0.9
81.03441	0.9
85.02950	1.0
85.06588	6.8
87.00873	3.6
87.04488	2.4
95.05003	1.9
96.04324	0.8
97.02953	1.1
97.06583	1.7
107.05012	0.9
109.06596	3.0
111.04497	5.5
111.08173	3.1
113.02466	1.1
113.09712	1.6
117.07049	1.2
121.06638	1.7
123.08161	2.8
125.02410	1.4
125.06122	4.7
125.09743	1.1
127.60405	0.8
135.08189	11.6
137.02428	1.5
137.06082	1.5
137.09734	2.3
139.07668	1.8
149.06110	1.6
151.07556	0.9
153.05482	0.9
157.84276	0.9
163.07613	2.3
165.01947	3.1
165.05756	1.0
165.09200	2.4
165.12866	1.6
166.02710	1.5
167.07219	4.3
179.07149	100.0
180.07474	5.3
181.08725	10.7
181.12283	2.4
185.11807	1.4
192.04274	1.9
193.08904	1.0
195.06612	3.2
207.06645	23.8
207.13887	7.2
208.07225	2.3
209.08168	1.8
209.11932	1.1
222.08990	24.6
223.09688	5.3
226.08456	2.9
232.85620	1.0
235.09756	0.9
235.13467	1.8
236.14177	6.7
247.13220	1.0
251.12952	11.5
251.16534	96.0
252.13182	1.0
252.16859	6.7
261.11240	5.6
279.12390	17.5
279.16000	51.4
280.16357	3.7
295.06177	1.7
304.84348	0.9
305.17554	3.7
314.99295	0.9
323.05389	2.1
323.11389	8.1
323.14987	85.2
323.18320	3.3
324.06003	1.2
324.15369	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	323.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48198	1.1
55.01867	4.2
57.03437	4.5
58.00576	3.2
59.01382	100.0
69.15217	8.4
71.01386	89.1
72.01743	1.2
72.99290	4.4
73.02952	22.4
74.99084	2.6
75.00876	1.6
77.35831	1.0
81.54368	1.0
83.01384	10.2
85.02953	30.1
87.00888	5.3
87.04514	1.6
89.02449	63.0
95.01395	5.8
96.96012	5.5
96.96986	1.5
97.02982	1.1
98.21783	1.7
99.00896	8.5
101.02449	66.3
103.84331	1.2
113.02454	38.9
114.01933	2.4
119.03512	24.9
119.05038	1.9
125.02467	1.8
131.03517	2.7
143.03520	5.2
149.04579	2.5
159.03008	7.0
159.10323	1.4
161.03267	1.7
161.04565	31.7
161.11893	7.6
161.16338	1.3
179.03972	1.1
179.05531	5.6
230.97127	1.0
239.09119	1.3
323.08804	2.0
323.13300	5.4
323.17059	43.7
324.17499	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1866
Annotation	Albocycline M-1
Peak:m/z	Relative Intensity
57.03450	19.4
58.26057	10.0
59.01372	30.1
66.71784	8.9
71.05025	11.9
83.01401	22.8
83.05026	15.1
85.02982	10.5
95.05029	31.9
97.02981	10.4
97.06601	11.0
108.15809	10.9
113.52576	9.5
123.08195	16.8
125.09718	34.2
133.86954	9.2
135.08191	20.4
146.42931	10.2
149.09680	9.7
163.11218	12.9
185.11850	23.8
207.10191	10.0
209.11792	97.3
217.12450	11.8
219.17526	15.0
254.28423	9.7
258.23590	10.6
261.68390	10.4
265.14447	31.6
287.16687	16.4
293.08304	28.3
305.17548	31.0
308.10587	29.5
323.12778	20.5
323.18640	100.0
323.22079	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	323.2594
Annotation	15-HEDE
Peak:m/z	Relative Intensity
52.19845	2.6
61.07212	2.1
70.84361	2.1
71.27742	2.9
81.11589	2.2
83.05052	5.4
85.06588	11.1
100.81014	2.5
141.17479	2.4
176.40842	2.7
178.30038	2.3
191.49951	2.9
209.26649	2.5
276.31705	2.5
279.23862	5.2
279.26953	100.0
280.27335	7.9
305.24951	6.6
323.25906	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1244
Annotation	Oliveridine
Peak:m/z	Relative Intensity
52.20325	1.0
59.99524	0.9
62.39283	0.9
73.06393	1.0
82.48474	0.9
97.06594	1.8
98.22540	2.0
115.05532	1.2
116.05043	2.0
117.03451	1.3
127.05574	2.3
128.68475	1.1
130.18625	0.9
131.05023	4.5
142.06628	10.0
143.05019	3.0
155.04926	1.0
170.06114	4.4
186.05600	14.8
198.05615	100.0
199.05951	4.9
201.13000	0.9
205.10207	1.7
210.05592	8.3
214.05099	6.7
216.06604	12.4
228.06480	1.2
232.11360	2.8
238.05099	1.3
248.10776	1.0
260.07043	1.9
266.11871	4.8
276.10327	11.7
278.11801	2.6
294.11374	26.9
295.11783	2.0
296.12866	3.8
324.12396	42.6
324.18829	1.9
325.12903	2.1
325.16727	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1454
Annotation	Monocrotaline
Peak:m/z	Relative Intensity
52.31285	0.5
53.75162	0.4
58.02697	1.1
58.02979	13.9
59.01369	1.3
69.03454	0.8
69.25209	2.4
71.01394	0.6
73.02937	0.5
80.95194	0.4
84.04562	1.6
85.02947	0.6
86.06123	21.2
97.02963	1.0
97.71687	0.4
100.07694	19.5
101.08068	0.5
107.05046	0.6
113.02426	0.4
114.05618	3.5
119.05019	0.7
125.02455	0.8
127.00455	0.7
128.07188	26.4
129.07550	1.0
130.59294	0.5
132.06677	72.2
133.07057	1.0
137.02495	0.5
149.06099	14.0
150.06465	0.7
153.05569	1.4
154.08815	1.3
156.06654	1.3
163.03976	0.7
171.03012	1.0
172.06183	0.7
174.07722	20.7
175.07968	0.6
187.96594	0.6
191.06927	0.6
234.77266	0.5
265.07526	0.6
306.13406	2.8
324.14539	100.0
325.14938	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	325.0484
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00280	2.9
54.97266	3.1
59.01382	5.1
61.09745	2.5
61.69410	2.3
63.99118	2.9
69.44976	16.4
70.77686	2.9
71.01375	2.8
83.01385	3.4
95.05033	5.1
97.02950	7.7
109.02967	29.4
119.05026	13.1
121.02937	4.3
123.04539	18.2
125.02451	18.9
133.73895	3.3
137.02475	10.0
139.04077	4.5
142.91177	3.0
145.02945	4.2
149.02409	5.0
151.03998	6.9
159.04601	3.3
161.06129	4.5
163.04053	15.5
165.01918	7.7
175.04063	4.1
177.05585	3.8
179.03462	8.3
187.04103	3.7
203.07138	11.7
205.05093	10.9
245.08218	21.0
289.07190	100.0
290.07620	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	325.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.8
68.82671	0.6
69.03445	1.3
70.91660	0.6
70.91972	0.7
71.01379	1.7
73.02943	2.8
76.54902	0.6
79.01910	0.6
81.03441	2.0
83.01379	0.8
83.05006	4.0
83.59819	0.6
85.02955	0.7
89.02431	0.7
89.80542	0.7
93.03464	26.2
94.03817	0.6
95.01402	0.8
97.02936	0.9
98.12147	0.6
99.00899	0.8
107.01401	8.5
109.02968	0.9
110.00068	0.6
111.00890	1.8
111.04533	11.5
114.33063	0.5
119.05052	1.1
123.00902	3.0
124.01685	3.1
125.02454	59.7
126.02777	1.6
127.00379	0.7
130.78288	0.6
136.98839	1.3
137.02449	7.9
139.00362	2.6
140.01166	3.1
143.03549	0.7
151.00336	1.7
155.03519	5.6
168.00644	14.0
169.01434	100.0
170.01781	2.2
170.38103	0.6
173.04593	3.5
243.67297	0.7
281.06604	1.0
307.04547	0.6
325.05682	31.6
325.13858	1.0
326.06012	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41011	0.7
57.03464	0.9
59.01383	8.6
63.28985	0.7
67.01896	1.3
68.56157	0.7
69.03469	2.3
69.37191	3.8
71.01384	6.2
72.99311	1.0
73.02960	3.7
76.09586	0.6
81.03447	2.6
81.29630	0.7
83.01387	2.1
83.05034	5.2
85.02959	2.7
89.02465	1.7
90.83075	0.7
93.03465	28.9
95.01389	0.9
97.02980	1.7
99.00895	1.1
99.04516	1.7
101.02451	2.7
107.01396	9.2
111.00893	2.7
111.04533	12.5
113.02473	1.8
119.03498	0.8
123.00898	3.3
124.01678	3.3
125.02457	72.1
126.02808	2.2
127.00394	1.1
131.03741	0.8
136.98830	1.2
137.02460	7.3
139.00381	3.1
139.45580	0.7
140.01178	2.7
151.00383	1.5
155.03519	7.4
161.04582	1.5
163.06140	5.6
168.00650	12.3
169.01434	100.0
170.01804	3.0
173.04483	4.4
174.64578	0.6
237.07846	0.7
262.61011	0.7
263.56726	0.7
281.06674	0.8
325.05640	50.3
325.11081	4.5
326.06003	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	325.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	2.1
67.01879	0.8
69.03448	1.2
70.64018	1.3
71.01373	1.4
73.02955	1.5
81.03449	2.4
83.05029	3.5
85.02938	0.7
93.03469	23.9
95.01392	1.3
97.02973	2.3
99.00897	0.7
99.04498	0.7
103.44801	0.7
107.01408	7.2
109.02940	1.0
111.00908	2.9
111.04527	10.4
123.00912	2.7
124.01653	3.5
125.02459	60.3
126.02800	2.0
128.04230	0.6
136.98820	1.7
137.02477	7.5
137.24916	0.6
139.00372	2.0
140.01172	3.0
155.03508	7.0
168.00645	16.3
169.01439	100.0
170.01801	2.7
173.04538	3.3
225.71730	0.7
237.07799	0.7
274.94330	0.7
281.06628	0.8
325.05692	26.6
325.13779	1.1
326.05936	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23401	0.4
54.42957	0.5
59.01388	0.8
59.19314	0.4
62.40879	0.4
69.14420	3.5
71.05001	0.4
83.05029	0.6
85.02940	1.3
85.06570	0.6
95.05041	0.9
108.02185	0.9
109.02953	0.9
109.06614	0.6
111.04520	1.7
111.08185	0.7
114.62381	0.4
121.02969	0.8
123.04523	0.7
125.09723	0.8
127.07646	1.0
134.03769	4.1
135.04549	0.7
143.04988	1.0
145.02968	1.2
147.04547	1.0
149.06067	0.8
153.09201	0.9
155.07158	0.6
159.04485	1.4
160.05292	2.5
161.02412	1.1
163.04008	4.8
171.10252	1.1
171.53613	0.4
172.05350	0.6
173.06061	1.5
174.06862	0.6
175.04010	2.7
176.04771	1.7
183.05009	0.6
183.06648	7.5
185.11842	0.8
187.04033	2.6
188.04803	11.2
189.05580	2.5
197.11809	1.6
201.05559	2.4
201.11380	1.1
202.06389	4.1
205.31914	0.4
208.03755	0.7
209.11824	2.9
211.07631	1.3
211.13461	0.6
212.04761	0.9
216.67220	0.4
218.93730	0.4
222.06848	0.5
223.07645	0.6
225.05708	0.6
226.06233	0.5
237.05620	0.6
237.14897	0.8
238.12044	0.5
239.07111	2.7
240.04245	0.9
253.04991	0.9
253.08707	0.7
254.05846	1.0
255.06709	1.0
263.07050	0.8
263.12894	2.4
265.08661	1.1
267.06616	5.3
268.07336	2.0
275.07086	0.5
277.05090	0.8
278.05899	0.6
281.04471	0.8
281.08154	1.4
282.08920	1.5
283.06311	0.5
283.09540	1.0
289.18063	1.4
291.06641	1.9
292.07410	3.0
293.08185	6.0
294.05588	0.5
294.08801	1.0
295.06137	10.2
295.09467	1.0
296.06326	0.7
307.19147	4.4
309.04166	0.9
309.07675	11.3
310.08475	37.0
311.08911	2.6
325.10791	100.0
325.19785	4.5
326.07785	0.9
326.11166	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	325.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84119	0.4
59.01377	1.6
63.65530	0.4
67.01900	0.6
69.43871	2.3
73.91313	0.4
75.18333	0.5
76.49379	0.5
79.24712	0.4
83.62151	0.4
89.23455	0.6
97.06594	0.8
98.22471	0.9
108.02161	1.5
109.02976	2.2
109.06585	0.9
111.04532	0.5
121.02962	0.9
123.04540	1.3
125.06130	0.5
125.09752	0.7
127.11316	0.5
131.05035	0.7
133.02983	0.6
134.03766	4.2
134.72745	0.5
135.04538	1.3
143.05066	0.7
145.02969	2.9
146.03734	1.1
147.04570	2.7
149.06082	1.2
158.03700	0.7
159.04512	2.2
160.05325	2.4
161.02467	1.4
161.06108	0.7
163.04015	5.5
165.05595	0.9
171.10294	0.6
172.05331	0.5
173.02399	0.6
173.06078	1.1
174.03172	1.1
174.99289	1.7
175.04027	5.8
176.04782	2.0
186.03178	0.5
187.04015	3.1
188.04799	11.2
189.05585	4.7
195.10172	0.5
196.05371	0.5
197.06114	0.6
197.11821	0.5
201.05562	3.1
201.11288	0.7
202.06357	3.2
207.08171	0.6
208.03821	0.6
209.06070	0.9
210.06900	0.6
211.04079	0.7
211.07672	1.0
219.08188	0.7
221.06078	0.6
221.11836	0.7
223.07576	0.6
225.05569	1.6
225.09129	0.6
235.07657	1.8
236.08446	1.7
237.05676	1.0
237.09200	0.6
238.06448	0.7
239.07088	3.3
240.04300	1.1
240.07828	0.7
241.04948	0.8
247.07610	1.0
249.05501	1.4
250.06296	0.8
251.07112	0.9
252.08051	0.6
253.05153	0.9
253.08652	2.2
254.05859	1.0
254.09343	1.1
255.06659	2.0
263.07156	3.2
263.20102	0.6
264.07855	2.3
265.05035	0.7
265.08801	2.6
266.05701	1.2
267.06583	5.0
268.07224	0.7
269.08398	0.6
270.08963	1.3
271.09830	1.5
275.07153	1.1
276.07870	1.4
277.05081	1.1
278.05655	0.6
281.08313	3.7
282.09039	2.9
283.05933	0.5
283.09302	0.6
289.18051	0.7
291.06549	3.3
292.07440	5.4
293.08215	10.5
294.08829	2.3
295.06155	12.1
295.09390	1.1
296.06516	0.9
297.10458	0.7
299.11877	1.3
307.09515	0.6
307.19104	1.6
308.06808	1.0
309.07715	15.8
310.08484	36.0
310.11862	1.6
311.08905	3.8
325.10794	100.0
325.19656	4.7
326.11169	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	325.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
66.10017	0.3
67.01892	0.4
69.34939	1.6
73.81788	0.3
75.01782	0.3
83.39883	0.4
92.28625	0.4
109.02990	0.3
117.03515	0.3
119.05005	0.5
121.03016	0.8
131.05067	0.4
134.03757	3.2
135.04523	1.3
145.02945	0.8
146.03725	0.5
147.04523	1.0
149.06090	0.7
159.04562	2.0
160.05321	3.1
161.06100	0.3
162.03259	0.7
163.04028	4.5
173.06131	0.4
174.03186	0.5
174.06868	0.4
175.04028	1.9
176.04803	1.8
187.03992	2.8
188.04813	13.1
189.05557	3.3
201.05573	1.6
202.06337	3.5
208.03809	0.8
209.06050	0.4
209.11836	1.5
211.07626	0.5
218.93434	0.3
221.06003	0.5
223.07677	0.6
225.05562	0.4
226.06305	0.8
235.07613	0.6
236.08450	0.8
237.05579	0.6
238.06276	0.6
239.07123	2.8
249.05565	1.2
249.89572	0.3
251.07048	0.5
253.04811	0.5
253.08725	1.3
254.05821	0.7
263.07104	2.5
264.07889	2.0
265.05011	0.6
265.08707	2.3
266.05972	0.7
267.06635	4.9
277.04965	0.5
280.07315	0.6
281.08264	3.6
282.09012	1.8
291.06693	2.1
292.07413	3.6
293.08228	10.6
294.08823	0.7
295.06128	11.1
296.06403	1.2
307.19135	1.3
308.06961	0.4
309.07715	14.7
310.08478	24.0
311.08844	1.5
325.10834	100.0
326.11166	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	325.1083
Annotation	Fortunolide B
Peak:m/z	Relative Intensity
59.01375	0.7
64.70844	0.3
67.01888	0.4
69.05476	0.7
69.05876	2.4
73.02937	0.4
81.03486	0.5
83.05032	0.9
84.02161	0.4
88.04041	1.4
93.03505	0.5
108.02195	0.5
109.02946	0.9
111.08176	1.3
115.07641	1.3
119.05003	0.3
121.02940	0.7
122.03737	0.4
123.04573	0.4
123.08189	0.5
125.09716	0.7
127.07674	0.4
127.11249	0.5
133.02924	0.4
134.03772	2.4
135.04597	1.9
135.08115	0.5
144.76743	0.3
145.02943	0.9
147.04503	1.0
149.02406	0.4
149.06046	0.6
151.34094	0.3
155.10817	1.3
159.04449	1.6
160.05341	2.6
161.02414	0.8
162.03267	0.7
163.04039	4.4
163.11324	0.9
163.95526	0.3
165.01871	0.4
165.12947	0.4
169.12288	0.5
171.10350	2.3
173.06047	0.7
175.04021	2.3
176.04811	1.9
178.10037	0.8
185.11870	2.1
187.03972	2.2
188.04811	12.2
189.05582	3.5
191.14394	0.4
196.05234	0.5
197.11859	1.4
201.05540	2.2
201.11316	1.6
202.06374	3.9
207.10165	0.4
208.03775	0.4
209.11852	12.5
210.12213	0.5
211.07535	0.6
213.11397	0.5
223.07744	0.6
224.06876	3.2
235.07614	0.7
237.05608	0.7
237.09244	0.8
238.06366	0.7
239.07211	2.0
240.07681	0.5
245.19305	0.5
249.05621	0.9
250.06329	0.7
252.07919	0.5
253.05048	0.7
253.08711	1.3
254.05861	0.6
254.09467	0.5
263.07092	1.7
263.20200	0.4
264.07947	1.8
265.05084	0.9
265.08667	1.9
266.05817	0.9
267.06625	5.0
279.06714	0.6
280.07416	0.4
281.08282	3.6
282.05750	0.6
282.08960	2.0
282.20706	0.9
289.18127	0.6
291.06619	2.5
292.07382	3.8
293.08231	9.0
294.08682	1.2
295.06131	10.6
296.06476	0.6
307.19189	12.4
308.06989	0.4
308.19397	0.7
309.07709	14.0
310.08475	28.0
311.08749	2.3
311.17523	0.9
325.10834	100.0
325.20038	5.8
325.67377	0.5
326.11197	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1084
Annotation	Fortunolide B
Peak:m/z	Relative Intensity
51.25328	0.2
52.28281	0.3
54.05618	0.3
67.01904	0.4
71.01380	0.3
73.87550	0.3
86.51169	0.3
98.01755	0.3
108.02171	1.2
109.03008	0.4
111.08182	0.5
119.05022	0.7
121.02944	0.8
123.04545	0.6
131.05011	0.5
134.03728	2.9
135.04578	1.6
145.02953	1.2
147.04501	0.9
149.06102	0.8
158.03687	0.4
159.04576	2.1
160.05327	2.2
161.02461	0.6
161.06044	0.3
163.04030	4.5
164.03021	0.3
164.71429	0.3
165.05478	0.3
167.10774	0.4
171.04501	0.3
173.02451	0.3
173.06084	0.9
174.03265	0.3
175.04033	2.0
176.04784	2.1
178.02753	0.4
182.02197	0.3
185.11693	0.3
187.04057	2.7
188.03082	0.6
188.04810	12.4
189.05591	3.1
195.04733	0.3
195.08202	0.4
201.05583	2.4
201.11363	0.5
202.06363	3.3
203.06914	0.5
208.03770	0.7
209.11861	1.1
210.07004	0.4
211.07658	0.7
221.06042	0.4
222.06892	0.4
223.04036	0.5
223.07639	0.7
223.09763	0.3
226.06233	0.7
232.38268	0.3
235.07658	0.7
236.08408	0.5
237.05560	1.1
237.09181	0.4
238.06325	0.5
238.08502	1.2
239.03508	0.6
239.07146	3.1
240.07744	0.4
249.05534	1.0
250.06407	0.9
251.07231	0.5
253.05061	0.5
253.08624	1.5
254.05830	0.8
254.09155	0.5
263.07101	1.8
264.07877	1.9
265.05011	0.9
265.08649	2.6
266.05832	0.7
267.06659	5.3
268.06943	0.4
275.07156	0.3
277.05087	0.6
278.05890	0.5
279.06613	0.7
280.07587	0.4
281.08167	4.1
282.05731	0.5
282.08890	1.4
291.06689	2.5
292.07407	4.5
293.08182	10.4
294.08664	1.3
295.06134	9.8
296.06384	0.6
297.07803	0.4
297.11005	0.3
307.19147	1.3
308.06897	0.4
309.07709	14.8
310.08475	25.5
311.08795	2.2
325.10825	100.0
325.20175	1.7
326.07251	0.6
326.11145	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	325.1085
Annotation	Moracin O
Peak:m/z	Relative Intensity
51.06342	2.1
59.01374	3.3
60.27202	2.2
67.47109	2.5
71.53233	2.1
82.82242	2.4
85.09482	2.5
95.87479	2.3
109.66933	2.2
122.16472	2.3
123.68973	2.6
173.57608	2.2
197.06154	3.7
211.07648	3.7
221.06023	4.9
223.07552	4.8
224.04858	3.1
237.05589	11.4
238.06317	3.5
239.07153	6.3
249.05496	9.6
250.06340	3.8
251.03383	5.6
251.07108	3.4
256.86688	2.4
263.06891	3.4
265.05121	2.9
266.05847	2.9
267.06635	37.4
268.06873	4.8
272.51096	2.4
276.07996	3.4
277.05142	3.3
284.06631	2.9
291.06656	5.8
292.07367	11.4
293.07947	2.8
295.06131	100.0
296.06378	3.3
307.09900	11.5
307.19232	2.8
310.04947	3.8
310.08487	66.9
311.08820	5.6
325.06943	5.8
325.10800	96.2
325.16748	5.4
325.19830	4.3
326.11169	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	325.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.2
59.01381	100.0
60.01700	1.3
65.55346	1.1
67.01873	1.2
69.03445	1.5
71.01385	17.8
71.27846	1.7
72.99297	2.2
73.02952	5.9
73.72080	0.9
75.00859	1.0
78.95924	2.2
80.96525	1.1
81.03458	2.0
83.01366	1.7
83.05025	3.7
85.02983	5.4
87.00866	2.8
89.02456	12.8
93.03467	18.4
94.31683	1.1
95.01382	2.3
96.96045	1.7
97.02926	1.5
99.00871	2.8
101.02456	9.9
106.98140	1.9
107.01405	7.0
109.02917	1.1
111.00861	2.0
111.04515	6.3
111.50571	1.0
113.02428	5.9
117.00428	2.2
119.03503	4.2
119.05031	4.2
123.00908	2.3
124.00740	5.4
124.01591	2.0
124.28410	1.1
125.02453	60.6
126.02784	2.1
130.58910	1.3
135.02977	1.7
136.06128	1.0
137.02425	5.1
139.00363	2.0
140.01140	1.7
140.02109	1.2
143.03529	1.2
153.00473	1.1
155.03490	4.3
156.99930	1.1
157.03555	2.0
159.01489	2.3
161.04543	3.3
163.03983	3.9
163.06145	9.1
163.09760	2.7
165.05586	1.3
166.99895	1.0
167.01965	1.1
168.00636	8.0
169.01427	69.9
170.01765	3.3
171.01575	1.2
173.04575	3.9
174.62169	0.9
179.05605	2.1
183.01520	7.6
184.01018	42.8
189.01935	2.1
194.93710	1.1
195.04395	2.1
196.67641	1.1
203.03563	2.0
204.08577	1.1
206.88765	1.0
223.03813	1.7
223.08170	3.0
287.07825	2.2
325.01993	1.9
325.05637	28.4
325.10938	16.2
325.14932	2.7
326.02246	1.2
326.05872	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.2
59.01381	100.0
60.01700	1.3
65.55346	1.1
67.01873	1.2
69.03445	1.5
71.01385	17.8
71.27846	1.7
72.99297	2.2
73.02952	5.9
73.72080	0.9
75.00859	1.0
78.95924	2.2
80.96525	1.1
81.03458	2.0
83.01366	1.7
83.05025	3.7
85.02983	5.4
87.00866	2.8
89.02456	12.8
93.03467	18.4
94.31683	1.1
95.01382	2.3
96.96045	1.7
97.02926	1.5
99.00871	2.8
101.02456	9.9
106.98140	1.9
107.01405	7.0
109.02917	1.1
111.00861	2.0
111.04515	6.3
111.50571	1.0
113.02428	5.9
117.00428	2.2
119.03503	4.2
119.05031	4.2
123.00908	2.3
124.00740	5.4
124.01591	2.0
124.28410	1.1
125.02453	60.6
126.02784	2.1
130.58910	1.3
135.02977	1.7
136.06128	1.0
137.02425	5.1
139.00363	2.0
140.01140	1.7
140.02109	1.2
143.03529	1.2
153.00473	1.1
155.03490	4.3
156.99930	1.1
157.03555	2.0
159.01489	2.3
161.04543	3.3
163.03983	3.9
163.06145	9.1
163.09760	2.7
165.05586	1.3
166.99895	1.0
167.01965	1.1
168.00636	8.0
169.01427	69.9
170.01765	3.3
171.01575	1.2
173.04575	3.9
174.62169	0.9
179.05605	2.1
183.01520	7.6
184.01018	42.8
189.01935	2.1
194.93710	1.1
195.04395	2.1
196.67641	1.1
203.03563	2.0
204.08577	1.1
206.88765	1.0
223.03813	1.7
223.08170	3.0
287.07825	2.2
325.01993	1.9
325.05637	28.4
325.10938	16.2
325.14932	2.7
326.02246	1.2
326.05872	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1446
Annotation	Licarin A
Peak:m/z	Relative Intensity
51.77765	1.0
53.57257	1.1
56.41640	0.9
69.03344	2.2
69.03746	6.4
71.12904	0.9
91.15298	1.1
99.52288	1.1
131.91577	1.0
135.04491	1.0
142.01700	0.9
147.04510	1.1
161.02521	1.3
183.01277	1.3
191.35217	1.0
198.06949	1.4
219.63625	1.0
226.06288	2.0
239.10722	1.3
254.05847	69.6
255.06300	5.1
263.10663	1.3
267.10370	5.0
269.08118	5.1
276.07819	3.6
277.08713	4.0
277.12259	1.5
278.09464	13.0
281.11725	2.3
291.10318	5.2
292.10794	2.0
293.11853	20.6
294.09003	2.6
294.12170	1.9
295.09781	14.1
309.11356	9.7
310.12119	76.0
311.12415	6.4
324.68634	2.3
325.14447	100.0
325.17917	4.0
325.23862	3.0
325.69360	1.6
326.14819	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	325.2024
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
50.69586	9.1
59.01374	15.9
61.72169	7.8
69.41618	57.4
75.06904	8.3
95.73166	7.3
111.08154	21.1
125.09695	8.8
127.31056	8.4
137.09796	10.4
149.06099	14.7
151.11372	11.2
169.66432	9.2
186.39101	10.5
209.11748	9.3
280.07462	12.0
289.18073	12.0
295.09671	18.3
305.30750	8.5
307.19119	33.8
310.08545	12.1
310.12213	9.7
325.10608	28.2
325.14465	17.3
325.20282	100.0
325.23856	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	325.2023
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
57.03445	3.9
59.01379	2.2
61.11187	1.0
69.03459	2.3
69.09959	2.6
69.10372	5.1
71.01382	3.9
77.16833	0.8
81.03484	1.2
83.05038	3.6
84.02163	1.3
95.05045	1.3
97.06611	5.6
98.22551	1.8
106.04252	1.1
111.08169	14.2
123.08181	4.2
125.09728	18.3
127.07653	2.6
134.93834	1.0
135.08191	2.2
137.09734	27.3
139.07698	1.2
139.11276	1.1
151.11308	14.1
152.11615	1.4
153.09230	1.8
155.10817	2.3
163.11307	1.9
167.10767	1.3
171.10292	10.5
181.08661	1.0
183.10387	1.2
183.13950	0.9
185.11844	11.1
195.10394	2.3
197.11815	8.3
201.11316	11.4
207.10190	1.1
209.11821	12.2
213.11449	2.6
227.12840	0.9
238.12024	0.9
245.19208	2.7
263.20175	6.2
271.17111	2.7
279.19717	1.0
281.21320	2.4
289.18091	4.7
307.19174	30.2
308.19403	2.9
325.20215	100.0
326.20554	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	325.2023
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
57.03465	1.3
66.10793	1.3
69.08855	2.9
69.09259	7.5
71.01376	5.9
71.05025	2.8
72.02157	2.5
73.02953	1.8
81.03423	1.9
83.05029	7.1
84.02190	3.9
85.02901	1.3
95.05034	2.2
97.06584	4.0
99.04536	2.7
99.08161	4.3
109.06588	2.1
111.08192	2.0
112.05307	2.0
115.07651	3.4
121.02937	1.3
123.04523	1.6
123.08231	1.7
125.06133	1.6
125.09743	7.0
127.07658	17.5
135.04500	2.3
135.08194	4.5
139.07664	4.3
147.04533	1.2
153.09239	20.1
155.10733	4.4
163.11320	5.2
165.12903	2.2
171.10294	22.4
178.10034	4.1
183.06752	1.3
185.11855	16.7
188.04848	3.0
191.10727	2.2
197.11861	16.8
204.71484	1.4
207.10321	2.1
209.11836	80.8
210.12178	4.2
238.12056	7.3
245.19138	3.8
256.13074	3.3
263.20081	1.4
279.19763	1.5
281.17212	1.3
283.06100	20.9
289.18103	9.9
293.08057	1.6
295.06198	1.5
298.70819	1.6
307.19162	100.0
308.19495	7.7
309.07800	2.7
310.08340	6.8
311.05652	7.7
325.10809	18.6
325.14297	2.3
325.20233	44.8
326.07962	12.5
326.11404	2.5
326.20618	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2175
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
53.01180	0.7
68.97559	4.2
68.97967	1.7
75.40436	0.5
101.78785	0.7
137.61107	0.6
149.09732	90.1
150.10077	5.1
163.11302	91.9
164.11624	5.4
183.01224	6.6
209.16061	0.6
211.75499	0.6
305.33575	0.7
325.07031	3.1
325.10904	2.9
325.18378	14.5
325.21741	100.0
325.27838	2.6
326.07559	0.6
326.18524	1.5
326.22040	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	325.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.7
63.35779	1.1
79.26570	1.1
79.95715	1.6
80.11186	1.0
86.96862	1.1
98.22514	3.6
110.91936	1.2
111.25058	1.1
119.05048	1.5
122.73911	1.2
126.49124	1.4
144.87810	1.2
183.01213	50.1
184.01561	2.8
197.02722	2.5
216.01178	1.3
249.22247	88.0
250.22523	4.5
293.21243	72.7
294.21664	5.6
307.26416	1.9
311.22318	2.4
325.18430	100.0
325.23795	22.1
325.27499	65.3
326.18814	10.0
326.24286	2.3
326.27872	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	326.022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83117	0.6
59.01376	1.3
63.04100	0.6
69.57622	2.8
111.26846	0.6
140.02019	3.6
141.75592	0.6
141.99995	0.9
151.84718	0.7
184.01021	100.0
185.01141	6.7
185.48218	0.6
195.73708	0.6
326.02420	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0148
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61668	0.2
65.00304	0.3
68.92547	0.2
68.99798	0.7
69.02770	0.6
69.03191	1.2
74.33172	0.2
79.84457	0.3
102.01105	0.3
104.02667	0.7
112.30170	0.2
116.02692	0.7
116.35830	0.2
119.52441	0.2
120.02178	0.4
123.43317	0.2
128.02635	0.8
132.01245	0.3
132.02193	3.0
136.01625	0.2
144.02155	1.4
146.00073	0.2
147.00867	0.6
148.01662	0.5
149.33875	0.2
156.02184	12.2
157.02504	0.6
159.00851	0.3
160.01692	3.2
165.38982	0.2
170.00102	0.3
171.00934	0.4
172.01646	3.5
175.00340	0.2
176.01221	1.1
184.01662	9.1
185.01956	0.3
187.00316	0.3
188.01230	1.1
189.99237	0.4
199.00372	0.3
200.01166	13.8
201.01469	0.6
201.99039	0.3
204.00694	0.4
212.01164	5.1
216.00665	1.4
226.99854	0.7
228.00644	6.6
229.01035	0.4
232.00171	0.5
238.99977	0.3
240.00664	16.4
241.01025	0.9
242.99358	0.6
254.99358	3.1
256.00119	3.9
257.00327	0.3
258.98950	0.3
274.01230	0.3
281.98083	0.4
282.98819	2.0
283.99634	11.0
285.00018	0.6
310.98380	0.9
311.99127	100.0
312.95831	0.4
312.99503	7.0
319.75659	0.2
327.01468	48.0
328.01785	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	327.0148
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23335	0.5
55.15917	0.5
57.83067	0.5
58.00306	0.7
69.04903	1.8
69.05326	2.3
77.84643	0.5
79.62458	0.5
95.42780	0.5
108.02181	9.3
109.02997	2.8
116.92825	0.6
121.02963	0.6
122.03668	0.5
123.04556	6.8
130.54985	0.5
132.02173	3.0
134.03693	1.3
135.04463	1.6
142.16797	0.5
144.02118	1.0
145.02914	0.6
147.04512	1.3
148.01645	0.9
148.05263	2.1
149.06030	1.9
156.01035	0.9
156.02185	13.7
157.02557	0.6
159.00749	0.6
160.01665	2.9
161.06064	2.1
162.81789	0.6
171.10219	0.8
172.01749	2.8
175.07611	1.6
176.01083	1.1
184.01683	9.2
185.06189	0.6
188.01155	1.0
188.12326	0.5
200.01161	14.0
201.01517	0.7
203.07182	5.9
212.01190	5.5
216.00630	1.6
226.99718	0.8
228.00674	7.4
240.00632	16.7
240.03169	0.9
240.04236	1.2
241.00861	1.1
241.04964	0.7
242.99384	0.8
254.99385	3.2
255.06685	0.8
256.00134	3.5
268.07315	1.5
269.08163	4.0
270.09058	2.6
282.98801	2.2
283.06250	1.2
283.09607	0.6
283.99664	11.4
284.99927	0.8
285.11334	2.4
294.09052	0.8
297.07620	0.6
311.05939	1.2
311.09225	1.3
311.99124	100.0
312.09726	3.5
312.99472	7.8
323.84256	0.6
327.01474	44.7
327.08896	1.5
327.12311	22.8
327.18463	1.0
327.21619	4.2
328.01877	3.3
328.12619	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	327.0518
Annotation	(-)-Acanthocarpan
Peak:m/z	Relative Intensity
51.68207	0.5
56.01270	0.6
56.54596	0.6
57.03464	0.6
59.01388	10.6
66.05286	0.6
67.13625	0.6
69.05280	2.9
69.05696	2.1
71.01379	1.8
76.66442	0.6
79.95737	3.8
80.02686	1.5
81.03448	0.7
85.02942	0.9
89.35361	0.7
95.05076	0.8
95.95264	1.1
96.96014	44.0
101.02441	1.1
102.94742	0.7
107.05069	2.9
109.02970	2.0
113.02407	0.5
118.94215	89.1
119.03503	0.7
121.02949	1.3
121.06586	1.1
123.04528	2.5
135.04536	1.3
136.95303	4.4
137.02414	1.3
142.59991	0.5
145.03018	0.9
147.04485	0.8
147.08165	2.2
151.94006	0.7
160.81200	0.7
163.00708	1.4
164.01468	0.7
165.01927	0.7
165.05573	11.3
175.10252	0.7
179.03510	17.5
203.03867	1.1
205.01590	1.8
228.66571	0.6
229.55884	0.6
245.04948	3.7
267.03091	76.3
268.03470	2.9
282.05417	1.1
283.06302	5.2
289.07394	0.9
297.07785	1.3
309.04068	0.8
311.09085	1.0
312.10120	3.7
318.20627	0.7
327.05215	100.0
327.12161	4.0
328.05521	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14326	0.3
62.01253	0.3
66.91068	0.4
69.40411	1.5
71.19837	0.4
77.03917	0.7
79.01830	1.4
79.53374	0.3
79.86242	0.5
80.10922	0.3
94.40699	0.3
106.99005	0.4
108.02181	4.2
111.00802	0.7
111.04448	0.4
123.04536	2.6
133.02962	5.4
134.03749	5.7
135.04559	2.6
148.70972	0.3
149.02473	2.8
150.03125	1.3
151.03983	0.7
155.10736	0.7
161.02422	0.7
175.04027	2.2
175.07576	0.4
176.04726	0.6
177.01935	6.2
178.02570	0.7
179.03401	1.3
201.01877	0.7
203.07126	2.9
213.05571	0.5
225.05495	0.6
227.07368	0.4
236.87828	0.3
237.85834	0.4
239.07053	1.1
240.07715	0.4
241.05057	1.1
253.05118	0.4
255.06596	2.0
267.06497	1.0
269.04471	1.3
283.06119	3.9
284.06882	1.8
311.01962	0.6
311.05612	15.9
312.06390	100.0
313.06747	7.6
327.08740	65.7
327.12091	3.2
327.16623	0.5
327.21875	1.2
328.09103	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	327.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40592	0.9
51.90623	1.1
57.03435	2.9
58.61703	1.0
60.65904	1.1
64.02303	0.9
69.75649	2.4
69.76034	2.5
70.17839	1.0
97.06598	4.3
98.16554	1.0
108.02177	2.7
109.02967	2.5
121.02959	3.7
122.03761	3.4
123.04559	7.0
123.08166	2.5
125.09736	27.3
133.02925	1.5
134.03751	9.0
134.18228	1.2
135.04536	5.5
136.01704	2.3
139.11264	3.6
141.09268	1.3
145.03014	2.6
146.03743	1.7
147.04558	6.8
148.05264	2.9
149.06064	4.7
151.03992	2.5
159.10269	7.1
160.05234	1.4
161.06050	4.1
163.00336	1.9
165.01822	1.8
169.08768	1.6
171.10284	19.1
173.11836	12.4
175.04010	1.7
176.01198	2.1
177.05684	1.3
179.02931	1.0
185.11845	20.0
189.34253	1.0
190.06364	4.9
191.07117	3.3
197.06073	4.7
201.11288	1.5
203.07213	4.5
213.05489	2.2
223.07724	1.9
225.05501	6.8
240.04350	6.5
241.05089	8.1
251.07181	2.5
252.07860	3.7
253.05092	1.9
253.08609	4.3
254.02271	2.9
254.05862	4.2
255.06630	6.5
261.43298	1.3
268.03815	1.6
269.04578	89.0
269.08060	10.9
270.04861	7.0
270.08963	17.7
279.06729	1.2
283.06061	6.2
285.11240	2.6
295.09674	3.2
297.04074	100.0
298.04507	6.5
311.09329	4.3
312.06375	52.6
312.10025	16.5
313.06686	3.6
327.08673	72.9
327.12390	92.1
327.21722	19.1
328.09018	5.6
328.12756	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	327.0875
Annotation	Perseal C
Peak:m/z	Relative Intensity
55.33781	0.6
77.03963	0.8
78.71429	0.7
79.86293	0.7
97.06607	1.0
108.02185	2.6
109.02966	0.8
117.03506	0.8
121.02870	0.8
122.48025	0.6
123.04485	1.2
125.09725	3.2
133.02924	4.8
133.81619	0.7
134.03770	4.5
135.04518	2.6
146.03767	0.8
149.02432	4.3
150.03267	1.4
161.02368	0.7
171.10266	4.5
173.11794	2.0
175.03957	1.3
177.01956	15.9
178.02650	1.0
179.03485	1.6
197.11882	1.0
201.01959	1.2
201.11314	0.7
209.35381	0.6
225.05571	0.8
226.02686	0.8
227.07123	0.8
237.05602	1.6
238.06360	2.3
239.06943	1.0
241.04976	1.6
254.02185	0.9
255.06630	1.5
256.43958	0.7
265.05042	2.5
266.05890	4.1
267.06543	1.3
269.04553	1.3
282.05319	1.1
283.06226	4.3
284.06760	1.4
293.04544	5.7
294.05338	26.5
295.05771	1.8
309.07690	39.7
310.07980	4.2
311.05618	16.0
311.08948	0.5
312.06412	81.1
313.03510	1.3
313.06631	6.2
316.18961	0.7
327.08762	100.0
327.12112	4.8
327.21686	8.5
328.09131	10.4
328.22339	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09013	0.4
57.89553	0.3
66.15993	0.3
69.18521	1.4
69.18935	1.0
75.36663	0.3
96.93127	0.3
109.02984	0.4
111.08164	1.2
119.94038	0.4
121.02953	0.6
122.03785	0.3
123.04529	0.6
134.03748	0.5
135.04547	0.7
145.03012	0.5
147.04546	0.9
149.06136	0.5
173.11823	0.4
190.06314	0.4
197.06047	0.8
199.13593	0.4
225.05504	0.5
240.04265	0.5
241.05038	0.6
251.07001	0.4
252.07904	0.4
253.08694	0.4
254.05759	0.4
255.06656	0.5
269.04568	100.0
270.04910	6.9
270.09143	1.8
284.06934	2.5
295.09644	0.5
297.04068	44.4
298.04330	2.8
311.09094	0.5
312.06424	97.8
313.06775	7.3
327.08762	38.9
327.12442	10.4
327.21729	1.0
328.09183	2.7
328.12512	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99709	0.6
69.74967	1.0
70.14935	0.6
79.01767	1.0
79.73117	0.6
93.40659	0.5
105.03285	0.9
109.02783	1.4
111.00750	1.0
117.03284	5.7
119.04800	2.1
121.02804	1.3
123.00746	0.6
123.04443	0.7
134.03601	0.7
135.04350	0.8
135.36310	0.6
136.01523	1.4
137.02342	0.7
145.02739	0.7
146.03540	0.6
147.04358	1.5
149.02310	1.5
150.03029	0.9
161.05913	0.7
163.03822	1.7
164.00993	0.9
165.01704	1.8
165.05431	0.6
175.03813	0.8
177.01765	1.7
179.74731	0.6
185.46938	0.6
189.01903	1.1
189.05356	0.8
190.99696	2.4
191.03511	3.9
193.01442	10.8
195.07901	0.6
197.11801	0.9
207.02829	1.1
237.05542	0.7
238.01068	0.6
239.06955	2.1
241.04965	0.9
245.55939	0.5
254.05762	0.7
255.06490	0.7
265.04977	1.4
266.05713	1.6
269.04556	0.5
269.08029	1.8
270.08801	1.9
283.06158	32.3
284.06589	2.2
294.05371	3.6
294.08218	0.6
294.46487	0.7
295.06256	4.4
295.09375	1.1
297.07492	0.8
309.04132	8.3
310.04593	1.0
311.05630	98.8
312.06351	28.4
312.10010	2.4
312.13428	0.9
313.06766	1.2
327.08786	100.0
327.12393	12.1
327.21567	5.3
328.09106	8.2
328.12714	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1087
Annotation	Androsin
Peak:m/z	Relative Intensity
59.01385	12.8
65.25244	0.8
71.01385	8.7
71.27629	1.3
71.28002	1.1
72.99296	1.7
73.02943	5.1
77.87594	0.9
78.95896	3.4
79.67175	0.9
83.01391	1.1
85.02933	2.4
87.00873	5.5
89.02440	5.1
93.03455	3.0
95.05080	1.2
96.96958	2.1
101.02454	5.1
101.71885	0.9
106.73563	0.9
111.04552	1.1
113.02444	2.8
119.03533	2.5
121.02962	12.4
123.04507	2.5
125.02442	2.6
129.90375	0.9
137.02484	1.9
147.04462	1.5
149.02451	83.2
150.03239	77.9
151.03520	1.9
160.58891	1.0
161.04547	1.1
163.04102	1.0
164.04816	30.5
165.01921	5.5
165.05577	100.0
166.05882	3.1
169.01381	1.7
171.01880	2.6
179.05682	1.3
222.29613	0.9
248.35239	0.9
259.02020	1.0
327.09622	5.0
327.12759	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1087
Annotation	Paeonoside
Peak:m/z	Relative Intensity
55.85353	0.3
59.01382	2.2
71.01372	1.1
71.28155	0.4
72.99290	0.4
79.05540	7.9
81.03446	1.0
85.02949	0.4
87.00884	0.9
96.96012	2.5
100.43320	0.3
101.02445	0.5
101.64207	0.3
105.03463	1.4
111.00887	1.1
113.02542	0.4
118.94210	3.8
121.02918	0.3
121.06609	13.4
122.03786	0.4
123.04538	16.0
137.02419	0.4
139.05457	0.4
145.02855	0.3
147.04562	1.0
149.02460	2.2
158.03601	0.3
161.04582	0.4
165.05579	100.0
166.05902	3.8
171.25961	0.3
177.05600	0.3
184.28084	0.3
242.31009	0.3
246.02855	1.8
246.52809	0.6
267.03116	3.0
316.02313	0.4
317.02887	0.4
327.01520	0.3
327.05203	5.5
327.10727	1.8
328.05548	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.3
69.38581	1.7
71.01385	2.2
72.99304	0.4
73.02947	0.7
79.05538	4.0
85.02979	0.9
87.00884	0.7
89.02442	1.0
92.55254	0.3
98.22499	0.7
101.02434	0.7
105.03451	6.2
109.02948	1.9
112.27694	0.3
113.02438	1.0
121.06583	5.1
123.04527	17.8
147.04489	1.1
149.02441	13.0
165.05573	100.0
166.05905	3.2
167.03467	0.9
182.68677	0.4
189.05583	0.5
207.06668	0.9
251.03773	0.9
267.03201	0.4
327.05054	0.9
327.11121	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	327.1087
Annotation	Paeonoside
Peak:m/z	Relative Intensity
59.01378	2.2
60.97303	0.4
69.23538	1.2
69.23959	1.8
71.01378	1.4
72.99301	0.6
73.02933	0.4
79.05527	0.5
83.01392	1.0
85.02970	0.9
87.00877	1.5
89.02461	1.1
91.05506	0.7
93.03468	1.2
96.95993	0.8
97.02929	0.5
97.55146	0.5
98.22482	1.0
99.00864	0.5
101.02423	0.9
101.03957	1.1
105.03455	0.9
109.02959	1.6
113.02453	1.0
118.46179	0.4
119.05037	7.4
121.03028	1.9
123.04541	4.8
125.02440	0.9
129.03477	10.6
130.04262	1.9
133.02974	1.1
135.04489	0.7
137.02466	4.1
139.04001	0.6
145.02928	1.2
146.03770	2.5
147.04533	53.7
148.04831	2.2
149.02469	3.6
151.00394	0.8
151.03981	0.8
153.02002	0.6
161.02425	2.4
163.00374	1.1
164.01207	0.8
164.04805	3.3
165.01952	9.3
165.05574	100.0
166.05905	3.9
167.03584	0.5
173.02550	0.6
176.01204	0.9
177.01938	4.2
179.03665	0.6
181.04958	0.7
188.02515	0.4
190.02768	0.8
199.04236	0.6
202.99908	1.1
204.00623	0.8
205.01463	0.9
289.07260	1.3
291.07977	0.4
327.04977	1.3
327.07684	0.7
327.10330	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
68.98541	3.1
87.64947	0.4
93.03427	0.6
98.22535	0.8
108.02167	1.2
109.02971	2.6
119.05095	0.6
121.02963	4.3
122.03773	3.2
123.04537	4.8
133.06551	0.7
134.03752	8.1
135.04544	6.3
137.02397	0.5
145.02953	2.2
146.03723	0.8
147.04536	8.3
148.05302	2.4
149.06102	5.4
159.04521	1.4
160.05281	1.6
161.06079	4.8
164.04723	0.6
165.05566	2.6
175.04028	0.7
176.04723	0.8
177.05527	1.6
187.04076	0.5
188.04817	0.8
189.05531	0.7
190.06393	4.0
191.07185	1.7
199.07617	0.9
202.06372	0.5
203.07089	2.2
204.07980	1.9
209.06010	0.7
212.04822	0.7
223.07611	1.6
225.05627	0.4
225.09250	0.9
226.06306	0.4
227.07153	0.9
237.05496	0.8
238.06293	0.5
240.04292	5.0
241.04964	0.3
241.08635	1.1
251.07204	2.9
252.07889	3.9
253.05061	0.8
253.08708	4.2
254.05830	3.9
255.06659	4.2
267.06775	0.5
268.07428	1.3
269.08221	11.7
270.08975	17.8
271.09296	1.3
279.06616	1.1
284.07404	0.4
284.10638	1.0
285.11356	2.4
293.08234	0.7
294.09045	1.9
295.09692	4.2
296.10645	0.6
297.07751	4.3
297.10956	0.6
310.08310	0.6
311.09247	4.9
312.06412	1.9
312.10007	17.4
313.10440	1.4
327.12384	100.0
328.09381	0.3
328.12720	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36311	0.3
59.01397	0.3
69.03818	1.2
69.04243	1.1
77.30024	0.3
77.72038	0.3
107.05000	0.3
108.02194	1.2
109.02971	3.1
116.35483	0.3
119.05043	0.9
121.02959	4.5
121.06604	0.4
122.03775	2.9
123.04546	4.1
133.06606	0.9
134.03757	6.7
135.04546	6.3
136.01590	0.3
137.02408	0.6
145.02954	1.8
146.03737	0.8
147.04535	9.3
148.05319	3.2
149.06105	4.5
154.02664	0.4
159.04570	1.2
160.05301	2.1
161.06111	5.1
163.04008	0.4
165.05536	1.5
173.06059	0.7
175.03978	0.8
176.04773	0.7
177.05522	0.9
187.04001	0.5
188.04822	0.8
189.05569	0.4
190.06364	4.3
191.07169	2.3
199.07600	0.8
202.65953	0.3
203.07147	3.1
204.07877	1.9
209.06165	0.4
210.06987	0.3
212.04874	0.6
213.09241	0.5
217.90196	0.4
223.07733	1.3
225.05675	0.4
225.09207	0.6
226.06271	0.5
227.07126	1.5
237.05602	0.6
238.06335	0.5
239.03564	0.7
240.04300	4.7
241.04796	0.4
241.08719	1.6
251.07106	3.3
252.07924	3.8
253.05086	0.8
253.08665	3.5
254.05811	3.5
254.09554	0.6
255.06670	3.9
265.08969	0.3
267.06796	0.7
267.10126	0.5
268.07431	1.5
269.08206	11.9
270.08975	17.6
271.09326	1.3
275.35751	0.3
279.06647	0.8
283.09702	0.5
284.06989	0.4
284.10544	1.1
285.11478	2.4
293.08167	0.4
294.08945	1.5
295.09775	3.7
296.10434	0.9
297.07681	4.0
297.10919	0.5
311.09280	4.9
312.10052	17.0
313.10410	1.5
327.12393	100.0
328.12729	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	327.1239
Annotation	Piperphilippinin V
Peak:m/z	Relative Intensity
51.18897	0.4
51.96161	0.5
58.74011	0.4
69.09329	2.5
70.28951	0.4
73.02943	0.7
79.05515	0.5
83.05020	0.4
84.83101	0.4
90.79317	0.4
92.16782	0.4
97.82845	0.4
98.22489	0.6
99.08183	0.5
99.20604	0.4
108.02182	100.0
109.02467	2.4
111.00884	0.5
115.07690	0.6
123.00938	1.0
123.04533	65.7
124.04853	2.4
127.07658	1.7
127.11300	0.5
129.09242	5.0
131.82271	0.4
133.02994	1.0
134.03754	1.2
135.04524	0.6
141.09225	1.9
141.57019	0.4
147.08180	0.4
155.10802	4.0
159.08154	1.2
162.03130	0.4
171.06604	0.5
171.10312	2.5
173.11819	1.2
174.06952	0.5
175.07648	16.9
176.07956	1.3
177.01941	0.9
178.17848	0.4
185.11823	7.8
188.04846	2.4
197.11847	6.4
203.07147	64.4
204.07513	3.3
209.11867	1.3
219.67738	0.6
291.19617	2.3
294.09012	1.0
309.20645	4.8
311.05606	1.7
312.06415	13.6
312.09937	0.5
313.06653	1.0
327.08694	8.0
327.12384	12.6
327.18094	0.9
327.21759	13.7
328.08990	1.1
328.12778	1.7
328.22180	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.5
60.27913	1.3
65.55476	1.1
78.98170	1.2
82.01503	1.1
93.03470	2.0
108.02171	4.0
109.02951	4.8
115.49894	1.1
121.02956	9.9
122.03732	1.8
123.04549	3.6
125.09725	2.0
125.26492	1.2
133.02953	2.1
134.03743	11.2
135.04547	7.0
136.01700	11.9
137.02463	1.7
145.02972	9.8
146.03729	3.7
147.04517	7.2
148.04994	1.1
149.06111	15.4
150.03232	1.8
158.03737	2.8
159.04530	3.5
160.05241	2.3
161.06090	2.2
162.03302	1.2
171.04570	2.2
171.10228	2.2
172.05309	37.0
173.06125	8.5
175.04022	1.3
185.06009	2.7
189.05484	4.2
190.06361	1.3
191.07072	1.5
203.07120	7.9
211.13451	1.5
217.77405	1.5
220.08862	1.3
221.09758	2.8
223.07610	5.3
224.04747	1.3
233.06161	2.4
235.07780	2.4
237.09186	4.4
238.09961	8.8
239.07187	1.8
240.04271	1.6
247.07631	2.4
249.05565	1.2
249.09238	4.5
250.06320	2.2
250.09927	1.8
251.07089	5.4
253.04915	2.2
261.05536	5.2
265.05353	1.8
265.08679	9.9
266.09451	7.9
267.10028	1.8
269.08371	2.0
269.97995	1.7
270.08917	3.4
275.07138	3.6
276.07883	5.0
277.08707	15.2
278.06265	1.7
278.09445	17.3
279.06604	13.2
279.10089	6.1
280.07166	1.2
281.08047	1.8
282.08966	1.7
292.07355	3.3
293.08212	34.7
294.08987	84.6
295.09320	9.4
297.07690	5.6
297.11267	11.1
297.97672	1.7
309.11343	100.0
310.11584	9.2
311.09253	4.0
312.06598	2.1
312.09949	11.8
313.00040	1.8
327.08875	5.7
327.12354	79.0
327.18176	3.0
327.21634	11.4
328.12741	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39192	4.2
59.01372	4.3
69.76891	14.2
78.32931	3.7
109.02976	22.3
111.08181	7.0
119.04980	3.9
121.02947	4.1
123.00872	9.2
123.04559	4.2
124.01686	10.5
125.09721	15.3
127.11316	6.3
136.01665	4.8
139.11330	12.7
146.03795	5.2
147.04562	13.4
148.05325	76.0
149.05943	4.1
151.04036	6.4
155.10806	6.3
159.10260	9.4
164.04829	8.1
171.10291	100.0
173.11839	65.9
179.07202	7.3
183.10242	4.3
185.11865	21.4
187.61821	3.8
190.06357	4.1
201.11438	5.4
203.07205	6.2
209.18945	5.1
212.92332	4.4
253.87291	4.0
265.21811	8.8
269.04642	12.2
283.06168	4.1
291.19788	12.1
294.09091	5.7
297.04013	8.8
297.07541	8.8
298.08463	4.4
309.20676	23.7
312.06378	5.9
312.09851	5.8
327.08771	8.6
327.12399	56.1
327.21759	59.1
327.25351	5.5
335.34332	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1239
Annotation	Piperphilippinin V
Peak:m/z	Relative Intensity
54.64764	0.5
61.84704	0.6
67.28446	0.6
69.09625	4.5
73.19042	0.5
83.05028	0.6
87.52444	0.5
90.07372	0.5
93.03458	0.7
96.79111	0.5
97.06587	1.7
105.94870	0.5
108.02188	1.3
109.02973	3.9
119.05030	1.1
120.91203	0.5
121.02974	3.5
122.03744	3.6
123.04511	4.4
123.08166	1.4
124.01700	0.6
125.09742	11.4
133.06557	0.7
134.03737	7.1
135.04565	5.5
145.02965	2.0
147.04543	8.9
148.05261	2.2
149.06082	5.2
159.04523	1.3
160.05252	1.1
161.06134	4.3
162.03215	0.6
165.05566	1.8
171.10353	1.2
177.05534	1.2
188.04799	0.7
189.05557	0.9
190.06343	3.4
191.07170	1.5
199.07582	1.2
202.06447	1.0
203.07187	2.7
204.07893	1.7
209.06047	0.8
223.07628	1.3
225.09134	0.7
226.06238	0.9
227.07094	0.6
238.06345	0.9
239.07195	0.7
240.04257	5.2
241.08655	1.0
251.07184	2.3
252.07863	4.4
253.08731	3.4
254.05875	3.9
254.09222	0.9
255.06517	3.0
267.06503	0.8
268.07449	1.1
269.05096	1.0
269.08191	13.0
269.10944	1.1
270.08963	16.9
271.09332	0.9
275.94244	0.7
279.06421	0.7
284.10590	1.0
285.11316	1.8
293.08295	1.0
294.08929	1.8
295.09756	3.4
297.04553	0.7
297.07776	3.6
311.09277	5.1
312.06387	2.3
312.09998	16.7
313.10385	1.7
327.12387	100.0
327.21179	4.2
328.12772	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1241
Annotation	5-O-Methylleridol
Peak:m/z	Relative Intensity
59.01365	2.1
61.98824	5.0
67.75705	1.7
69.44617	8.8
70.05823	1.7
70.22971	1.7
83.05035	4.9
93.03497	2.5
97.06605	2.9
98.21822	3.5
99.08154	2.0
106.60966	1.7
108.02193	2.6
109.03008	1.8
111.08179	2.7
117.03436	3.5
121.02928	6.5
123.04486	2.9
125.09758	3.1
127.03980	2.1
128.12347	1.8
133.02963	2.8
133.22658	2.0
134.03787	2.4
145.02963	8.7
146.03674	3.1
147.04474	3.5
148.05292	3.0
149.06082	21.1
159.10243	3.0
161.06079	6.5
162.06879	11.2
163.03973	2.5
163.07637	23.0
171.10316	4.8
173.11833	2.1
177.24400	2.0
183.14037	2.1
190.06258	3.6
191.07162	20.8
193.01411	2.9
197.50868	1.9
200.01053	2.4
203.07063	2.0
211.13388	7.8
221.09738	3.1
222.06941	2.3
229.14563	2.5
237.09108	4.0
238.09976	18.2
240.00514	2.5
249.09215	8.2
264.07895	3.5
265.08694	12.6
266.09473	15.3
267.06400	2.6
269.08105	4.0
270.08975	3.5
277.08713	17.9
278.09464	35.0
279.10205	9.4
280.41727	1.9
281.08188	8.2
282.08945	47.1
283.06094	13.0
283.09103	3.9
283.19122	7.0
292.07361	6.0
293.08170	39.8
294.05624	2.8
294.09000	57.9
295.09348	7.2
297.08023	3.4
297.11304	71.3
298.11661	5.0
309.04132	3.3
309.11343	100.0
310.11719	8.6
311.05612	34.4
311.99112	14.0
312.06247	11.0
312.10013	15.4
312.99838	4.3
327.01535	11.2
327.08685	38.9
327.12405	33.0
327.18405	3.4
327.21719	40.0
328.12750	2.4
328.22064	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	327.124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74191	0.8
57.03440	2.1
69.60508	3.6
71.05010	0.8
83.05006	2.0
84.02155	5.0
96.69553	0.7
97.06607	2.6
108.02180	100.0
109.02395	1.2
109.02998	2.0
111.00874	1.0
111.08157	8.5
113.09699	1.2
121.02976	2.0
122.03738	1.2
123.00897	1.0
123.04532	64.1
124.01662	0.9
124.04853	1.9
125.09723	11.7
127.11325	1.6
134.03749	4.5
135.04561	1.0
137.09721	4.2
141.09245	1.2
141.52249	0.7
147.04526	1.3
148.05292	1.7
149.06116	2.3
155.10793	7.5
157.08633	1.2
159.08162	1.4
161.01201	0.8
162.03223	1.1
164.04909	1.1
165.05562	2.8
171.10268	18.2
173.06241	0.9
175.04129	0.8
175.07649	19.4
176.07988	1.5
177.05582	2.1
178.06396	1.1
187.09671	1.3
188.04868	1.9
189.05560	1.1
190.06339	8.4
191.07182	2.4
201.11372	3.2
203.07146	64.4
204.07651	6.3
213.11374	2.3
228.07930	0.8
241.05254	0.8
241.08707	1.3
247.20718	1.8
251.06993	1.1
252.07822	0.9
254.05879	1.1
255.06528	1.1
267.10165	1.3
269.08218	3.3
270.08957	1.3
285.11304	0.9
291.19855	1.5
293.08353	1.7
294.09003	3.5
295.09769	5.8
296.10529	0.9
297.07642	6.5
297.10770	1.1
309.20746	1.8
311.09171	9.1
312.06451	0.9
312.10019	19.8
312.13284	0.9
313.10443	2.1
327.12408	79.3
327.18259	6.8
327.21356	14.1
328.12729	7.2
328.22119	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.124
Annotation	Casuarinondiol
Peak:m/z	Relative Intensity
52.10394	1.3
54.07858	1.1
58.70474	1.1
68.99561	6.9
93.03429	2.1
102.91969	1.2
105.37493	1.0
108.02152	5.1
109.02936	4.7
121.02949	8.6
123.04496	2.2
131.04985	1.3
134.03761	11.2
135.04567	6.2
137.02403	1.9
145.02937	5.3
146.03729	3.2
147.04489	6.2
148.05275	1.6
149.06096	11.3
157.01353	2.5
157.06516	1.4
158.03777	5.4
159.04532	2.9
159.14185	1.1
160.05249	3.2
161.06052	2.0
163.03976	2.2
171.04486	2.1
172.05318	31.4
173.06096	7.2
174.06709	1.6
175.03966	2.0
185.06027	2.7
189.05527	3.0
190.06239	3.2
203.07141	14.0
204.46794	1.0
209.06053	1.8
210.06818	1.4
221.09622	1.6
222.05188	1.4
223.07570	3.2
233.05978	2.7
235.07697	1.2
237.05566	1.3
237.09116	2.0
238.09943	6.6
247.07617	1.8
248.08017	1.4
249.09166	3.1
250.06157	1.5
251.06993	4.3
252.07489	1.1
253.04936	3.8
261.05554	3.9
262.06094	1.4
265.04807	2.3
265.08725	9.9
266.05823	1.1
266.09415	8.4
267.06583	2.6
269.08243	1.5
275.07178	1.7
276.07874	1.8
277.05441	1.8
277.08685	13.2
278.09491	16.6
279.06567	8.5
279.10117	4.8
281.08044	1.8
282.08905	5.7
283.09659	1.8
292.07416	3.6
293.08218	25.9
294.08990	82.2
295.06396	1.6
295.09366	8.0
297.07669	5.9
297.11224	27.6
297.97360	2.0
298.11523	3.4
309.11340	100.0
310.11716	9.2
311.05746	1.7
311.09119	2.4
312.06354	2.6
312.09888	2.6
312.99911	2.7
327.08652	6.7
327.12274	36.7
327.18091	1.7
327.21652	6.5
328.02029	1.6
328.12552	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	327.1238
Annotation	Piperphilippinin V
Peak:m/z	Relative Intensity
58.61144	0.2
59.01371	0.3
66.12904	0.3
70.28771	0.6
83.01444	0.2
93.03464	0.8
107.05062	0.4
108.02163	1.4
109.02963	3.1
111.27596	0.2
114.93586	0.2
117.03490	0.2
119.05044	0.7
121.02161	0.4
121.02968	4.7
122.03764	2.6
123.04541	4.3
124.01624	0.2
133.02963	0.4
133.06596	0.6
134.03757	8.2
135.04538	6.5
137.02412	0.7
145.02956	2.2
146.03705	1.1
147.04526	8.8
148.05356	2.7
149.06093	5.5
151.04015	0.4
152.04619	0.3
154.02658	0.4
159.04517	0.8
160.05327	1.4
161.06082	4.5
162.06718	0.5
163.03998	0.4
164.04793	0.7
165.05576	4.4
175.04007	1.1
176.04768	0.7
177.05592	1.3
181.06471	0.3
187.04021	0.6
188.04800	0.7
188.21445	0.3
189.01918	0.3
189.05577	0.7
190.06363	3.8
191.07156	2.1
193.08565	0.3
199.07666	0.7
202.06432	0.4
203.07185	2.4
204.07945	1.9
205.08464	0.3
209.06085	0.4
210.06836	0.3
211.03944	0.5
211.07535	0.3
212.04819	1.0
213.09241	0.4
221.08206	1.2
223.07690	1.9
224.08411	0.6
225.05602	0.6
225.09180	0.6
226.06375	0.7
227.07106	1.1
237.05566	0.6
238.06352	0.5
239.03444	0.5
240.04271	5.1
240.07986	0.3
241.04776	0.5
241.08655	1.3
249.07693	0.7
251.07114	3.6
252.07898	3.9
253.04968	0.7
253.08714	4.1
254.05824	4.4
254.09384	0.8
255.06595	3.7
265.08902	0.3
267.06467	0.6
267.08755	1.0
268.07477	1.7
269.08200	11.8
270.08966	19.0
271.09256	1.5
279.06598	1.0
283.06259	0.4
283.09741	0.8
283.19260	0.7
284.07217	0.4
284.10516	1.3
285.11325	2.1
293.08340	0.4
294.09021	1.7
295.09708	3.4
296.10416	0.6
297.07693	4.6
311.09290	4.8
312.10034	16.5
313.10373	1.7
327.12375	100.0
328.12701	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1239
Annotation	Casuarinondiol
Peak:m/z	Relative Intensity
67.01889	0.6
70.12307	1.3
70.12711	1.2
77.89781	0.5
80.13418	0.5
81.03448	0.5
83.05043	0.7
87.04487	0.6
93.03484	1.4
95.05054	0.7
97.06619	0.5
108.02173	4.3
109.02977	5.9
111.04573	1.5
111.08173	1.3
113.06095	0.9
115.04039	0.7
119.05066	0.6
121.02972	9.3
122.03784	1.3
123.00920	1.0
123.04527	2.8
124.01732	0.6
125.09747	1.3
133.02994	0.7
134.03764	11.2
135.04558	6.1
136.01711	0.8
137.02463	2.6
143.05089	0.7
145.02963	6.0
145.06700	0.6
146.03775	2.1
147.04539	4.0
148.05342	1.1
149.06094	12.1
151.04045	1.1
155.07213	1.4
157.06581	1.0
158.03722	4.8
159.04550	5.1
160.05321	3.2
161.06152	2.9
163.04042	0.9
165.05605	1.5
171.04486	3.4
172.05324	34.8
173.06068	8.8
175.04045	2.2
175.07727	0.8
176.04771	1.5
183.10329	1.5
185.06093	2.6
186.06837	1.7
187.04114	0.7
187.07697	0.9
187.09868	1.0
188.04877	1.0
189.05544	2.7
190.06319	2.5
191.07082	0.8
197.06070	0.7
201.11386	1.8
203.07164	15.3
204.07794	1.2
208.03624	0.7
209.06158	0.7
209.08255	0.8
219.08246	1.0
220.08865	1.1
221.09756	1.4
222.05261	1.1
223.07654	3.3
223.09734	0.9
224.08139	0.8
233.05957	1.4
235.07594	1.2
237.09160	2.9
238.10020	6.4
239.07275	0.7
247.07660	1.6
248.08430	0.9
249.05611	0.8
249.09207	3.6
250.06319	1.1
250.09950	0.7
251.07129	5.2
252.07632	1.0
253.05077	2.3
253.08716	0.8
254.05894	0.8
259.07639	1.0
261.05579	3.8
262.06335	2.0
263.06934	0.8
264.04297	1.6
264.07819	1.7
265.05600	1.1
265.08713	9.0
266.06210	0.8
266.09464	9.5
267.06708	2.8
267.10107	1.0
269.08234	1.8
275.07306	3.2
276.07870	2.3
277.08679	11.9
278.06018	1.6
278.09454	15.6
279.06641	9.2
279.10132	4.9
280.07089	1.0
281.08157	2.2
282.08984	7.4
283.06366	1.2
283.09702	3.1
284.10382	0.9
292.07312	3.5
293.05435	0.4
293.08188	28.0
294.08987	78.6
295.09402	7.6
296.10751	0.7
297.04489	0.9
297.07751	4.2
297.11295	28.2
298.11612	4.4
309.03928	2.2
309.11337	100.0
310.11716	9.1
311.09256	3.7
312.06305	1.3
312.09918	4.0
323.95557	0.7
327.08804	3.5
327.12347	46.6
327.21478	5.4
328.12750	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	327.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61164	0.4
57.03448	0.6
66.36418	0.5
70.41459	0.6
70.41770	0.7
83.05042	0.5
97.06543	0.5
99.04540	0.5
108.02112	0.4
118.29701	0.4
119.00526	0.5
123.82822	0.5
136.01685	3.9
137.02443	0.7
156.02234	0.5
169.12364	0.5
169.47311	0.5
171.10321	1.4
183.13896	0.7
185.11914	0.9
197.11884	0.7
201.11288	0.5
211.13443	0.6
224.04744	1.0
225.05688	0.8
237.05544	0.9
238.06233	3.5
239.07153	4.2
247.09850	2.2
253.05116	1.0
253.08958	0.5
266.05832	4.1
267.06555	1.9
268.07318	0.7
269.08200	66.0
270.08478	5.5
283.06271	0.6
284.10504	0.9
297.07700	49.7
298.08035	4.1
309.20459	0.5
311.05704	3.0
311.99084	1.8
312.10046	100.0
313.10406	8.0
327.08939	3.7
327.12381	69.8
327.21600	11.4
328.02032	0.6
328.12769	6.3
328.22214	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1239
Annotation	Casuarinondiol
Peak:m/z	Relative Intensity
59.01375	1.5
60.27913	1.3
65.55476	1.1
78.98170	1.2
82.01503	1.1
93.03470	2.0
108.02171	4.0
109.02951	4.8
115.49894	1.1
121.02956	9.9
122.03732	1.8
123.04549	3.6
125.09725	2.0
125.26492	1.2
133.02953	2.1
134.03743	11.2
135.04547	7.0
136.01700	11.9
137.02463	1.7
145.02972	9.8
146.03729	3.7
147.04517	7.2
148.04994	1.1
149.06111	15.4
150.03232	1.8
158.03737	2.8
159.04530	3.5
160.05241	2.3
161.06090	2.2
162.03302	1.2
171.04570	2.2
171.10228	2.2
172.05309	37.0
173.06125	8.5
175.04022	1.3
185.06009	2.7
189.05484	4.2
190.06361	1.3
191.07072	1.5
203.07120	7.9
211.13451	1.5
217.77405	1.5
220.08862	1.3
221.09758	2.8
223.07610	5.3
224.04747	1.3
233.06161	2.4
235.07780	2.4
237.09186	4.4
238.09961	8.8
239.07187	1.8
240.04271	1.6
247.07631	2.4
249.05565	1.2
249.09238	4.5
250.06320	2.2
250.09927	1.8
251.07089	5.4
253.04915	2.2
261.05536	5.2
265.05353	1.8
265.08679	9.9
266.09451	7.9
267.10028	1.8
269.08371	2.0
269.97995	1.7
270.08917	3.4
275.07138	3.6
276.07883	5.0
277.08707	15.2
278.06265	1.7
278.09445	17.3
279.06604	13.2
279.10089	6.1
280.07166	1.2
281.08047	1.8
282.08966	1.7
292.07355	3.3
293.08212	34.7
294.08987	84.6
295.09320	9.4
297.07690	5.6
297.11267	11.1
297.97672	1.7
309.11343	100.0
310.11584	9.2
311.09253	4.0
312.06598	2.1
312.09949	11.8
313.00040	1.8
327.08875	5.7
327.12354	79.0
327.18176	3.0
327.21634	11.4
328.12741	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17797	1.5
55.01866	2.5
58.00593	4.2
59.01384	100.0
69.03436	2.1
71.01384	62.9
72.99293	6.5
73.02952	25.5
75.00880	5.5
83.01391	3.6
85.02954	16.1
87.00877	41.7
88.02415	1.6
89.02448	84.7
93.03454	1.9
95.01409	5.4
99.00883	3.5
100.85064	1.6
101.02449	36.6
102.94414	4.2
103.04039	2.1
111.00912	2.5
113.02459	22.6
119.03497	33.2
123.04529	2.4
125.02368	2.1
131.03473	2.8
142.96584	3.8
142.97574	2.3
143.03491	5.3
147.03015	2.6
149.04556	2.0
161.04559	7.7
165.01961	1.9
165.05556	4.9
165.07689	39.1
166.97577	2.2
169.01451	2.7
171.01979	2.1
179.05630	19.1
191.05597	9.2
202.98688	2.5
222.97977	1.6
228.97618	14.2
240.94270	3.4
272.25641	2.0
278.69510	1.9
308.38101	1.8
327.06659	1.7
327.09296	34.3
327.12982	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	327.218
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61840	0.4
57.03445	1.2
58.00589	2.1
59.01385	4.6
62.11300	0.5
66.51081	0.4
69.03460	1.0
71.01383	0.5
72.79705	0.4
72.99271	0.6
73.02950	1.1
83.05023	1.3
97.06586	2.9
99.08118	0.5
108.02183	14.0
109.03017	3.2
109.06603	0.8
111.08176	10.1
115.59301	0.4
118.00622	0.5
121.02941	1.1
122.03678	0.5
123.04542	8.9
125.09718	1.3
127.07631	1.5
128.76213	0.5
130.00610	2.4
133.06583	1.1
137.02367	0.5
137.09711	1.9
146.00070	1.8
147.04474	0.7
148.05376	2.6
149.06111	2.9
151.00417	0.6
153.09282	0.6
153.12834	1.4
157.08778	0.6
158.00157	1.4
159.08162	0.5
161.06113	2.5
161.99620	0.5
162.06923	1.1
163.04028	1.0
164.04878	0.8
169.12335	5.1
171.00873	0.4
171.10275	7.3
173.11841	0.8
173.99586	1.4
175.07645	2.6
179.10880	0.5
181.12418	2.1
183.13940	1.2
185.11874	0.5
185.99527	2.5
189.99208	0.4
197.11841	42.9
197.99574	4.9
198.12125	1.9
199.13408	8.9
201.11336	1.5
203.07147	8.9
204.07838	1.1
211.13359	7.6
212.13763	0.5
213.99077	1.9
217.10170	0.5
221.11897	0.6
224.08556	0.4
227.12920	1.2
229.01566	0.5
229.14401	1.1
237.14946	1.0
239.16524	0.8
240.04292	0.8
241.98610	2.9
254.05794	0.5
254.99339	1.3
255.06567	0.9
255.16032	0.6
257.00851	1.6
257.17606	0.5
268.03763	10.2
269.04520	8.0
269.08148	6.5
269.98068	34.5
270.08878	2.0
282.05145	0.5
282.99106	0.5
283.06168	12.1
283.09290	0.5
283.99582	0.6
284.06638	1.5
285.00439	10.3
285.11462	2.2
291.19687	3.5
294.09171	0.8
295.09274	0.7
297.00989	0.6
297.04013	2.9
297.97562	42.0
299.09052	0.8
309.11343	0.7
309.20691	3.4
311.05792	0.6
311.98999	0.8
312.06479	8.2
312.09958	1.3
312.99930	52.8
327.01657	0.9
327.05038	2.3
327.08731	5.5
327.12390	19.5
327.21774	100.0
328.02255	34.2
328.08731	0.8
328.12573	2.5
328.22119	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	327.2178
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
55.97229	1.4
57.03446	8.0
61.98837	1.6
69.70829	2.3
69.71172	4.7
72.04253	1.5
89.70296	1.7
97.06601	9.5
97.07130	1.3
108.11050	1.3
109.02939	3.9
111.08141	5.1
123.04516	1.5
123.08180	8.2
124.01682	1.9
125.09729	69.2
127.11318	7.5
139.11296	9.0
141.09204	2.5
147.04497	2.4
148.05296	14.8
155.10812	3.4
159.10269	24.6
160.08456	1.5
171.10278	100.0
172.10522	3.8
173.11833	60.4
173.13388	2.2
174.12161	2.4
179.07036	1.8
183.10239	5.7
185.11853	58.7
186.12109	1.7
265.21710	3.2
269.04547	19.2
270.04880	2.1
281.21112	3.9
297.04034	21.6
297.07425	2.1
298.04449	1.9
309.20721	5.8
312.06406	10.4
312.09827	2.9
327.08731	16.8
327.12381	11.9
327.21762	70.6
328.12524	1.5
328.22128	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	327.2179
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
55.01920	0.7
57.03440	3.0
57.68352	0.8
61.50392	0.9
69.03451	2.4
70.10749	0.7
77.86073	0.7
83.05043	1.0
85.02961	9.1
86.45136	0.9
95.05038	1.0
97.02953	1.1
97.06596	5.8
103.73681	0.8
125.09711	2.1
127.11307	1.9
137.09747	2.2
155.10757	1.0
155.14462	1.1
167.14450	1.5
171.10271	24.1
172.10573	1.1
177.12903	1.3
183.13947	4.7
185.11844	1.7
193.12358	1.0
199.13426	0.9
209.11812	2.5
211.13411	24.1
212.13802	1.3
221.11810	3.3
222.12192	1.0
229.14447	15.3
239.12909	2.9
291.19614	3.4
327.21762	100.0
328.22150	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	327.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55127	0.7
51.09246	0.8
52.77774	0.8
55.42234	0.7
57.03445	3.0
58.63943	0.9
59.01354	1.2
69.10488	1.2
69.10889	5.2
71.05030	1.5
83.05037	1.1
89.06332	0.7
90.16119	0.8
97.02946	1.1
97.06605	3.3
102.77324	0.8
108.02198	1.7
109.02939	1.6
111.08143	1.4
112.23711	0.7
121.02979	1.0
123.04519	3.9
123.08130	1.2
125.09718	5.6
133.02975	2.2
135.04517	1.3
139.11293	6.3
147.04578	1.1
151.03998	2.0
153.12862	0.9
155.10765	1.6
163.00392	1.6
165.01900	1.1
171.10266	4.3
173.06017	1.2
183.10323	2.8
183.13785	1.4
185.11826	1.1
188.11627	0.8
189.99286	0.8
190.06306	1.3
197.06056	2.7
201.11320	1.4
203.07164	1.3
225.05580	5.1
226.02879	0.8
240.04271	1.4
241.05040	5.0
247.20677	12.0
254.02271	0.8
255.06470	1.2
265.21725	25.1
266.21948	1.9
267.43063	0.7
269.04556	48.0
269.07474	1.6
269.98135	2.8
270.04810	4.7
270.08908	2.8
273.18854	0.9
282.05399	0.8
283.22839	1.2
285.00378	1.2
291.19653	5.0
297.04047	90.0
297.97556	4.1
298.04373	9.5
301.64365	1.0
309.20715	25.6
310.21005	2.3
312.06412	49.8
312.09711	2.5
312.99927	5.4
313.06653	6.0
327.08722	40.0
327.12411	13.0
327.21768	100.0
328.02213	2.6
328.09100	3.6
328.12595	1.2
328.22098	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	327.2179
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
52.94621	0.7
53.98947	0.7
57.03445	1.6
58.00585	1.8
59.01366	2.9
61.44939	0.7
69.12386	0.9
69.12785	4.4
71.86451	0.8
73.12717	0.7
83.05025	1.6
97.06591	2.0
98.22581	1.5
108.02156	0.9
109.06602	1.1
111.08155	11.6
115.39085	0.6
118.19645	0.7
125.09767	0.9
127.07689	1.4
130.00615	3.1
137.09659	1.2
146.00092	2.4
153.12785	0.9
156.02132	0.8
158.00107	1.5
169.12364	5.1
171.10298	3.0
173.08229	0.7
173.99591	1.2
177.12811	0.7
181.12363	1.8
183.13879	1.1
185.99648	4.5
189.98941	0.9
197.11844	44.5
197.99574	6.7
198.12230	2.3
199.13390	7.5
211.13373	6.1
213.99126	3.0
221.11784	0.8
227.12849	1.0
229.01418	0.7
229.14455	1.1
229.19754	0.7
239.16550	7.8
240.00668	0.7
241.98572	4.9
254.99355	2.1
257.00879	2.8
269.98068	47.6
285.00443	15.5
291.19614	4.7
297.97562	66.2
299.01929	0.9
309.20688	3.3
311.99130	3.9
312.99921	79.9
327.01505	1.8
327.12518	1.8
327.21771	100.0
328.02249	55.7
328.22095	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	327.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88715	0.7
54.01608	0.6
55.07253	0.6
57.03445	1.5
58.00593	1.0
59.01384	3.5
69.03451	1.4
69.46567	4.0
73.02944	1.0
74.33965	0.6
81.03426	1.0
83.05028	2.4
84.02157	0.7
94.14821	0.6
97.06595	1.7
98.03721	0.9
99.08173	3.1
106.33125	0.7
108.02174	1.6
109.02966	1.3
109.06574	0.9
111.08151	4.1
115.07664	0.7
121.02941	1.6
123.04489	3.6
125.06145	1.0
125.09732	2.1
127.07665	4.5
127.11285	1.1
129.09222	16.4
131.83813	0.6
134.03772	0.8
135.04547	1.0
137.22011	0.7
138.94540	0.7
141.09244	6.4
141.12857	1.1
147.04482	0.9
148.05330	0.7
149.06085	0.8
151.03992	3.8
153.09204	1.2
153.12854	1.1
155.10748	1.0
161.05957	0.7
163.03996	0.8
163.11346	1.5
169.12337	2.4
171.10268	2.4
173.08287	0.7
173.11804	0.9
175.04066	1.4
181.12364	0.9
184.50722	0.8
185.10201	1.5
185.11830	24.2
186.12192	1.0
197.11836	42.3
198.12119	1.9
199.13464	3.5
203.07170	0.9
209.11841	19.2
210.12241	1.1
211.13414	2.8
213.82755	0.7
227.12816	1.2
254.06021	0.9
255.06621	1.4
268.07364	0.8
269.04568	0.8
269.08176	2.1
269.98126	1.0
270.08804	2.9
283.06186	1.0
283.09653	1.0
291.19684	6.7
297.07291	1.4
298.08307	0.9
299.09122	0.9
309.20706	10.6
311.05554	2.2
311.09094	1.2
312.06458	2.3
312.10028	4.4
312.99927	1.6
327.08704	5.8
327.12369	17.2
327.21762	100.0
327.73108	0.8
328.09021	1.2
328.12637	1.9
328.22092	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	327.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69029	0.5
56.78550	0.4
57.03456	3.3
58.67449	0.5
59.01385	1.0
69.03459	3.4
69.79601	1.2
69.79992	0.9
70.82713	0.4
71.01385	0.8
71.35178	0.4
73.02943	0.6
81.03477	0.5
83.05032	0.9
84.02184	0.7
85.02957	12.6
97.02959	1.9
97.06599	4.1
99.08146	0.4
111.08267	0.4
119.18562	0.4
123.08170	0.6
125.09728	1.8
127.11303	2.8
137.09718	4.0
147.54501	0.5
153.09154	0.6
165.12831	1.3
167.14432	0.9
171.10286	32.4
172.10683	1.3
177.12808	0.8
183.13876	3.2
185.11870	1.6
193.12328	1.1
195.14058	0.5
197.11797	0.7
199.13441	0.7
201.11333	1.9
202.06320	0.6
203.10796	0.7
209.11771	0.9
211.13400	16.8
212.13852	0.8
221.11830	2.6
226.11992	0.4
229.14461	11.8
229.44565	0.5
230.14650	0.7
239.12917	1.6
267.87488	0.4
291.19687	3.4
292.20160	0.8
297.04068	0.5
309.11212	0.7
309.20761	1.5
312.09995	0.8
327.21771	100.0
328.22162	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	327.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	4.2
69.03455	5.1
69.10339	5.4
71.01368	0.6
83.05003	1.2
84.02192	0.7
85.02958	15.7
97.02955	2.5
97.06605	3.1
98.21706	1.3
109.03069	0.6
125.09718	1.7
127.11269	1.5
137.09735	4.7
139.34821	0.6
155.10860	1.1
165.05579	1.4
167.14450	0.9
171.10280	35.3
183.13885	2.4
185.11763	1.0
197.11934	1.0
201.11269	2.1
209.11803	1.0
209.46219	0.7
211.13388	14.2
221.11812	1.7
229.14459	7.4
239.12944	2.2
291.19662	3.8
304.79318	0.7
309.11179	0.8
309.20789	1.9
311.99130	1.7
327.12881	3.8
327.21774	100.0
328.22174	8.2
330.21216	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2179
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
56.07087	1.0
57.03432	2.0
59.01375	2.2
69.03444	2.0
73.02950	5.3
77.15999	1.0
85.29002	1.0
90.45596	1.0
96.45169	1.0
97.06577	3.2
99.08154	3.6
108.02185	6.9
111.08156	1.6
112.05310	1.4
115.07647	3.1
123.04503	5.5
123.08157	1.3
125.09702	1.8
127.07664	7.8
127.11291	3.2
129.09235	34.0
141.09222	12.3
153.12878	1.7
155.10788	28.7
165.12735	1.1
171.06654	1.2
171.10278	22.4
173.08272	1.7
173.11806	3.1
173.48486	1.0
175.07675	1.3
185.11842	54.4
186.12126	2.1
197.11842	46.5
198.12183	2.1
203.07124	3.6
209.11797	7.8
211.13452	1.6
247.20560	2.4
260.22635	1.0
286.19177	1.1
291.19684	17.0
309.20740	26.0
310.21167	2.6
312.06259	1.2
327.18347	4.3
327.21762	100.0
328.22137	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.6
59.01355	1.4
69.03441	1.2
69.83561	3.6
69.83894	0.7
71.01391	1.5
71.04997	0.7
71.96568	0.8
73.02934	2.7
83.04996	0.9
88.38885	0.7
97.06575	1.4
98.03727	1.8
98.21822	1.1
99.08159	2.3
108.02186	2.5
113.09740	1.2
123.04503	2.8
125.09713	2.7
127.07666	4.1
129.09227	32.2
130.09566	1.5
141.09212	11.8
141.12833	1.6
153.12726	0.8
165.12970	1.1
171.10312	2.5
173.08099	0.9
174.92865	0.8
180.11609	0.8
185.11832	44.6
186.12164	2.2
197.11839	39.3
198.12193	2.1
202.17239	0.8
203.07112	1.5
209.11816	7.5
247.20624	1.4
269.07959	0.9
270.09027	1.5
271.48776	0.9
291.19708	9.8
294.09021	1.0
297.04117	1.1
309.20728	16.4
312.06403	1.0
327.08841	1.4
327.12524	9.8
327.21762	100.0
328.22061	8.6
344.73737	0.9
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
57.03442	0.8
58.49787	0.5
69.21606	3.0
73.45654	0.6
78.11477	0.5
88.49040	0.5
94.40610	0.5
98.21790	1.2
113.53724	0.5
128.36903	0.6
193.98698	0.5
230.21834	0.5
239.62497	0.7
263.23734	0.7
265.25366	68.9
266.25723	5.2
283.26535	1.0
309.24371	24.0
310.24683	2.6
327.25406	100.0
328.25742	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2906
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
59.01383	100.0
68.04449	0.7
69.26411	4.3
74.59090	0.7
89.87320	0.8
98.22495	1.8
110.99718	0.7
113.61447	0.9
185.00755	1.8
216.50296	0.8
219.17529	1.8
273.97748	0.9
309.41153	0.8
327.13727	1.8
327.18414	6.0
327.29050	59.3
328.29535	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	327.2905
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
58.58500	0.5
68.61875	0.4
69.00806	3.3
69.01223	1.4
107.44511	0.5
130.57042	0.5
174.69843	0.5
219.17580	0.8
281.28491	4.7
309.27933	0.6
325.27579	0.7
327.29050	100.0
328.29410	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	327.2907
Annotation	L-2-Hydroxyphytanate
Peak:m/z	Relative Intensity
55.60121	0.3
72.99321	0.4
75.74773	0.3
84.02191	0.3
98.22544	0.7
134.73735	0.3
183.01265	0.4
184.01549	0.5
185.00749	2.0
199.02264	0.3
243.61816	0.3
253.25388	0.9
270.92307	0.3
277.25366	0.9
279.26993	3.0
281.28513	51.4
282.28864	4.0
309.27982	1.4
325.27530	0.3
327.18484	6.1
327.29050	100.0
328.18515	0.6
328.29385	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	329.0216
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	43.1
69.49319	1.3
69.49709	1.2
70.75301	0.6
80.25489	0.6
98.21806	1.1
114.90118	0.6
115.02521	2.3
117.00451	2.5
120.39163	0.5
130.47057	0.5
139.88412	0.6
143.02020	7.0
157.03554	0.8
159.01508	56.8
160.01627	3.5
168.99966	0.7
184.01025	0.6
185.01195	3.2
186.00740	3.5
187.00996	100.0
188.01132	6.6
201.02574	15.0
329.02170	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	329.0306
Annotation	(3E)-Obtusenyne
Peak:m/z	Relative Intensity
59.01375	1.5
69.07689	2.5
69.08102	1.9
78.36949	0.6
109.02975	0.6
115.35593	0.7
121.02979	4.0
125.49738	0.6
135.04500	0.9
137.02460	0.9
144.00998	0.6
145.14302	0.6
147.04547	1.1
159.04410	1.2
160.05281	0.7
173.02492	0.8
174.03304	0.9
175.07683	1.0
177.05432	0.7
199.00151	0.8
202.02623	0.9
212.04822	1.1
214.99854	2.3
231.07198	0.7
237.05502	0.6
242.99356	8.5
254.05714	0.9
258.01791	0.7
269.08206	9.1
270.98846	80.8
271.99219	3.7
273.07773	0.7
281.08487	0.8
282.98792	0.7
283.09698	0.8
283.99670	0.8
285.00446	9.2
285.03479	1.1
285.07797	0.7
286.01007	2.7
298.98334	100.0
299.09180	6.9
299.98639	4.6
312.99915	23.4
314.00687	69.6
314.11539	9.2
315.01053	3.6
329.03036	88.9
329.13770	14.0
329.23447	0.9
330.03372	6.4
333.15781	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0305
Annotation	(3E)-Obtusenyne
Peak:m/z	Relative Intensity
50.48911	0.7
89.13516	0.6
96.96017	1.6
98.21593	0.9
114.95609	0.9
123.88689	0.6
124.10749	0.9
165.03387	0.9
168.18661	0.8
174.03192	1.3
201.89806	0.7
202.02684	1.2
214.99831	2.5
226.99887	0.8
242.99353	8.0
258.01657	1.1
270.98853	71.3
271.99139	4.0
283.99496	1.6
285.00433	13.4
286.01178	4.2
297.00208	0.9
298.98340	77.3
299.98911	3.8
310.98340	1.3
312.99927	35.4
314.00690	91.7
315.01065	5.7
329.03033	100.0
329.23355	15.7
330.03265	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	329.0305
Annotation	(3E)-Obtusenyne
Peak:m/z	Relative Intensity
53.96412	0.6
59.01382	0.7
69.21055	4.4
75.04007	0.6
93.03475	0.7
95.01404	1.0
97.06599	2.0
98.22652	0.7
108.02172	6.5
109.02967	8.3
111.00893	2.5
113.06121	0.9
121.02979	1.0
122.03751	0.7
123.00871	6.7
123.04542	4.7
124.01669	9.5
125.02456	1.7
125.09686	1.3
134.03751	0.7
135.04523	1.2
136.01677	30.5
137.02452	35.3
146.03766	1.7
147.04536	1.7
148.05322	1.6
149.02419	2.0
149.06055	6.4
151.04018	34.6
151.07596	0.8
152.01183	1.5
152.04335	1.4
153.01979	0.8
159.06636	0.8
160.05304	1.8
161.06110	1.8
162.06885	2.1
163.04015	1.8
164.04761	4.3
165.05568	12.2
173.06073	0.8
174.03244	1.4
174.06906	0.6
175.07681	8.5
176.08426	0.9
177.05630	1.1
177.09227	17.5
179.03392	0.6
187.07658	3.9
187.09694	1.0
190.06323	1.1
191.07161	4.1
195.06631	1.3
196.03734	1.3
197.02444	0.8
202.02705	1.2
205.05051	1.1
206.05768	1.5
211.13472	0.7
213.01878	0.8
214.99890	0.9
241.01527	1.2
241.34431	0.6
242.99377	7.0
254.99315	0.8
257.01147	0.6
257.04544	1.1
258.01682	2.8
270.98849	62.4
271.99161	2.9
281.07919	1.4
282.98843	1.5
283.99619	7.3
284.97202	1.2
285.00415	23.4
285.97729	0.9
286.01096	10.6
287.01456	0.9
287.09268	1.0
296.10645	0.8
297.00327	1.5
298.98337	71.8
299.98749	4.7
310.98352	1.5
311.13013	2.1
312.99921	42.8
314.00681	64.4
314.11563	2.1
315.01007	3.8
329.03052	100.0
329.10620	3.2
329.13876	88.9
329.23251	1.8
330.03387	6.5
330.14261	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0305
Annotation	(3E)-Obtusenyne
Peak:m/z	Relative Intensity
52.83291	0.3
66.10783	0.4
69.75900	1.1
71.26054	0.3
72.82967	0.4
75.36516	0.3
81.86503	0.4
107.21873	0.3
112.56728	0.4
131.01395	0.3
171.00896	0.9
187.00311	1.0
199.00539	1.0
214.99881	2.6
217.69777	0.3
242.99342	12.2
243.99860	0.8
270.98849	79.7
271.99179	3.4
283.99564	1.0
285.00461	1.8
286.01144	1.1
298.98343	87.9
299.98648	6.2
312.99921	3.2
314.00699	100.0
315.01062	6.1
329.03040	57.9
330.03366	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	329.0304
Annotation	3,3'-di-O-Methylellagic acid
Peak:m/z	Relative Intensity
57.03447	4.1
59.01378	4.6
62.03038	1.4
69.86451	1.3
70.25338	1.5
70.42055	1.9
70.42395	2.4
83.05024	5.8
97.06594	4.1
99.08216	2.1
111.08180	13.1
112.08512	1.7
113.09718	2.0
119.47889	1.4
125.09734	13.6
127.11311	6.2
127.70466	1.4
136.01718	2.9
137.02464	3.1
151.03998	3.7
155.10802	4.6
159.10298	5.0
171.10277	8.4
173.08179	1.9
173.11780	2.7
177.09137	1.4
178.99860	2.0
183.13976	1.6
186.11357	8.8
187.09758	2.1
201.11392	4.0
211.13385	4.9
229.14542	1.7
242.99290	2.6
255.06883	1.8
258.01819	3.3
270.98822	38.1
283.99719	2.4
285.00491	8.9
285.03336	1.5
286.01016	4.4
293.21341	2.7
298.98306	47.0
311.22357	5.8
312.99908	17.5
314.00629	49.1
327.21878	5.0
328.21460	13.8
329.03009	56.5
329.10321	6.9
329.13968	8.3
329.19931	6.2
329.23367	100.0
330.03348	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	329.0669
Annotation	Apometzgerin
Peak:m/z	Relative Intensity
56.42718	0.5
57.03428	0.5
59.01381	2.7
63.02410	0.5
65.67136	0.5
69.22769	1.1
69.23178	2.9
99.08154	0.8
108.02178	1.5
109.02966	2.6
111.08173	0.7
125.09712	1.9
127.11256	0.8
129.10069	0.5
133.02953	0.7
142.68204	0.5
143.05128	0.6
147.00874	0.7
149.06046	0.5
151.00345	0.6
155.14572	0.6
171.04495	1.3
171.10280	1.2
173.08206	0.9
173.11755	2.5
175.03996	0.8
183.13918	1.2
184.05476	0.5
199.04025	4.1
201.01906	1.3
205.05086	1.3
211.13461	5.2
215.03520	2.2
219.06540	0.8
226.02693	0.6
226.65863	0.6
227.03488	3.7
229.14420	1.7
242.02095	0.9
243.02963	3.8
255.03011	1.0
269.17468	0.7
271.02487	52.3
272.02826	4.1
299.01971	100.0
300.02325	5.7
314.00266	2.3
314.04312	28.2
315.04691	2.2
320.64508	0.5
329.06668	54.6
329.09985	2.3
329.13504	1.7
329.19647	3.0
329.23285	18.4
330.07010	5.1
330.23651	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0669
Annotation	LMPK12111308
Peak:m/z	Relative Intensity
55.34559	0.9
58.00578	1.5
59.01385	5.0
61.74434	0.9
63.45826	0.9
65.00316	1.0
70.61626	1.0
70.61946	1.8
78.41168	0.8
83.01397	1.1
83.05021	1.3
91.67468	0.8
97.02991	0.8
97.06596	1.2
98.29453	0.9
99.08161	6.4
102.14012	0.9
107.01394	2.4
108.02150	2.8
109.02970	3.0
111.08159	2.4
118.13526	0.9
121.02949	2.3
123.04512	1.7
125.02460	1.1
125.09769	1.7
127.07613	1.9
129.09225	5.4
130.09593	0.9
134.03775	3.0
135.04468	1.4
136.01680	6.9
137.02324	1.2
147.04572	1.2
149.02396	1.8
149.06113	1.8
150.03194	2.2
151.00352	3.5
151.04031	3.9
161.02412	0.9
163.00412	1.1
164.04855	1.2
165.01939	1.2
165.05553	1.7
167.03496	2.5
169.12379	2.4
171.04625	1.1
171.10248	2.9
173.11852	3.5
177.01945	2.7
178.02682	1.8
179.03467	3.8
181.12314	2.2
181.71948	0.9
183.06232	0.9
183.13895	1.6
185.02367	1.0
191.03534	1.2
192.04266	5.0
193.05026	0.9
197.11842	2.3
198.12161	1.8
199.03827	1.6
199.13446	13.6
205.04997	2.0
211.13460	8.0
215.03522	1.2
227.03476	1.3
227.06822	1.3
229.14401	1.3
243.02994	4.7
255.03104	1.0
255.06459	1.4
265.21603	1.0
267.03171	1.0
270.99014	4.6
271.02493	64.6
272.02863	4.8
277.35718	0.9
283.02484	1.3
283.10098	0.9
284.03445	1.4
285.04056	18.9
286.04456	1.5
293.21146	2.0
297.04086	1.9
297.07645	1.8
298.98492	5.3
299.01978	68.7
299.05432	3.3
300.02356	5.0
311.01913	1.0
311.22211	2.4
313.00308	1.3
313.03561	35.7
313.06952	2.2
314.00659	5.8
314.04303	49.6
314.07986	10.3
315.04684	2.8
328.22192	2.5
329.03397	4.1
329.06659	100.0
329.10361	36.9
329.13644	4.2
329.14496	4.2
329.19809	5.8
329.23322	90.8
330.06985	7.1
330.10715	3.5
330.23776	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	329.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03010	1.2
69.03428	1.7
81.03449	0.4
83.01376	0.4
83.05007	0.4
93.03441	0.4
95.01373	0.3
97.06626	0.3
98.22540	0.8
108.02173	2.2
109.02952	1.9
119.01366	0.7
122.03764	0.5
123.00922	0.9
123.04535	0.9
124.01649	0.9
125.09732	0.9
126.70625	0.3
127.11305	0.7
134.03682	0.4
135.00879	0.5
135.04547	0.8
136.01669	6.4
137.02461	6.9
147.04607	0.4
149.06116	0.9
150.03236	37.9
151.04034	5.7
151.13475	0.3
152.01180	0.5
155.10780	0.7
160.05301	0.4
161.02437	0.5
164.04868	0.4
165.05579	1.2
171.10301	1.9
175.07623	0.9
177.09192	2.3
178.02724	59.9
179.03502	100.0
180.03842	3.7
186.91888	0.4
187.07686	0.4
191.07117	0.3
205.01462	1.0
249.18425	0.5
253.04985	0.6
270.98846	0.6
298.98233	0.5
311.12885	0.9
311.18765	0.4
311.22177	0.4
314.00577	0.6
314.11453	0.5
327.21906	0.5
329.03384	1.2
329.06683	35.0
329.09927	1.5
329.13803	11.4
329.19641	2.6
329.23279	17.5
330.07022	2.8
330.14127	0.7
330.23639	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.088
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67506	0.7
59.01370	1.6
67.01904	1.2
68.99792	1.0
69.12949	5.1
69.13365	1.6
80.39674	0.7
81.03452	8.5
82.85944	0.8
83.00967	1.1
83.01382	5.8
93.03457	1.1
95.01412	1.0
95.05028	13.2
97.02936	4.2
99.04520	4.8
121.02992	1.8
122.03760	4.0
123.04536	17.8
125.02466	16.7
134.15033	0.8
135.04514	0.9
137.02467	2.2
137.06102	17.0
139.04015	2.2
145.62216	0.8
147.04549	1.1
149.06070	1.3
155.03445	1.1
163.00311	0.9
165.01842	1.0
165.05591	4.9
167.03503	49.6
167.07146	11.4
168.03824	1.5
168.07472	1.0
179.03513	7.9
181.05075	2.2
193.05029	2.9
197.04559	1.9
206.02188	1.6
209.04552	100.0
210.04942	3.5
221.04503	3.1
225.05299	0.8
239.05588	24.9
251.05693	1.4
311.07809	1.0
329.08786	5.7
329.12457	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	329.088
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
59.01375	1.2
66.51920	0.7
67.01888	1.3
69.76190	1.2
81.03457	9.0
83.01392	5.4
93.03454	1.1
95.05033	14.6
97.02966	4.4
99.04536	3.7
107.01414	0.9
109.02918	1.1
121.02982	1.7
122.03748	2.7
123.04533	19.4
125.02460	18.6
136.88232	0.7
137.02434	3.7
137.06100	14.8
139.03984	2.3
141.05634	0.9
149.02409	1.2
149.06102	1.0
151.00404	1.0
151.03900	0.8
155.03474	0.9
157.65610	0.7
163.00356	0.8
165.05562	4.1
167.03508	51.3
168.03841	2.1
179.03537	6.3
180.04152	1.0
181.05089	2.2
193.05072	1.8
197.04549	1.8
206.02229	1.1
209.04565	100.0
210.04855	4.2
216.84406	0.8
221.04549	3.1
239.05609	25.5
240.06023	1.4
248.45325	0.8
251.05482	0.9
329.08823	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.088
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
50.21484	0.3
57.03451	0.9
59.01384	0.8
62.27029	0.3
62.86996	0.3
65.00325	0.6
66.02854	0.3
66.52530	0.4
69.12650	1.1
69.13066	1.0
74.74438	0.2
76.27045	0.3
81.03461	5.6
83.01385	3.3
90.10431	0.3
95.05025	0.9
99.04518	0.4
105.09755	0.3
107.01378	0.8
115.14644	0.3
123.04530	32.8
124.04884	0.7
125.02447	6.6
137.02423	0.4
139.01825	0.3
139.04031	0.4
149.02521	0.6
151.00357	1.5
163.97464	0.3
167.03502	100.0
168.03842	3.4
191.03529	1.1
209.04591	1.5
211.02614	0.3
240.19969	0.3
241.86278	0.4
329.08530	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.088
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
52.21000	0.3
57.03449	0.7
59.01383	1.5
61.86963	0.3
63.02433	0.3
65.00320	0.6
67.01888	0.4
69.03745	2.5
69.04070	0.4
71.01379	0.9
75.63337	0.3
80.02651	0.4
81.03461	4.7
83.01382	2.8
85.02957	0.5
86.46075	0.3
90.12014	0.3
93.03493	0.4
95.01408	0.4
95.05013	1.5
97.02951	0.6
99.04528	0.5
107.01412	0.7
121.02974	0.7
123.04532	37.6
124.04893	1.4
125.02454	5.3
131.32988	0.3
135.04541	0.3
137.02470	1.1
139.04056	0.6
149.02437	1.2
151.00381	1.1
151.04013	0.9
154.54926	0.3
163.04054	1.2
165.01970	0.3
166.02657	1.4
167.03502	100.0
168.03853	3.6
169.16197	0.3
175.00339	1.3
179.03496	0.7
180.04338	0.6
181.05057	2.8
191.03508	23.6
192.03854	1.1
193.05086	0.3
209.04552	8.6
210.04959	0.3
221.04497	2.2
269.06833	0.5
329.08780	4.0
329.12250	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.088
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84174	0.4
59.01380	5.3
69.74026	1.4
71.01381	8.9
73.02950	2.1
77.44814	0.3
78.95916	0.4
79.63285	0.4
81.03448	0.5
83.01388	1.0
85.02943	3.0
86.00097	0.8
87.00881	2.4
89.02458	1.1
93.03449	0.6
95.01353	0.9
98.21789	0.5
99.00903	1.5
99.04508	0.5
101.02450	5.9
101.03110	0.5
104.91071	0.4
108.02187	1.8
109.02936	2.2
109.29831	0.4
113.02453	4.8
116.24542	0.4
117.00475	0.6
121.03017	1.9
121.06606	0.5
122.03746	100.0
122.06097	3.6
123.04585	11.2
124.04900	0.6
132.02084	0.3
134.06146	0.7
135.03383	0.3
135.04549	1.2
136.05322	0.5
136.07651	1.7
137.02460	1.6
137.06111	1.3
143.03566	0.5
147.04533	1.2
148.05365	0.4
149.02353	0.4
149.06113	0.5
150.03256	0.7
150.05614	8.7
151.81496	0.3
152.07188	0.8
157.00032	0.5
159.01503	2.6
159.02998	1.3
161.04561	8.6
164.07211	0.5
165.05560	5.4
167.03542	2.0
174.05673	0.4
175.06433	0.5
176.07190	0.5
177.05563	2.0
185.01323	0.3
187.01016	5.3
192.06778	0.4
201.02580	1.1
222.07692	0.5
274.99460	0.3
285.09866	1.9
309.15372	0.4
312.10800	3.8
329.02701	0.5
329.08829	4.0
330.12103	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.088
Annotation	Phaseoloidin
Peak:m/z	Relative Intensity
52.18753	1.6
59.01385	4.4
60.42552	1.5
71.01386	3.7
71.27070	2.9
81.03443	1.9
85.02998	1.8
107.01440	1.5
108.02181	62.7
117.00472	1.7
121.03000	3.5
123.00875	3.6
123.04533	47.6
124.04898	3.3
125.02443	3.1
137.02463	3.6
138.03157	2.8
149.02496	3.2
151.99983	2.6
152.01167	43.4
164.15581	2.0
167.03511	100.0
167.07176	4.8
168.03870	2.4
169.01419	2.2
182.02211	2.4
197.04596	6.2
197.22009	1.7
209.04538	2.3
329.09048	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	329.088
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
50.31533	0.5
51.00605	0.5
52.48980	0.5
52.76018	0.5
56.47268	0.5
58.52643	0.5
59.01381	1.5
60.90940	0.5
65.99138	0.6
67.01886	0.6
70.91972	1.2
71.01382	1.6
81.03468	1.2
85.02958	0.7
93.19648	0.5
95.01337	0.6
107.01371	0.6
108.02181	59.3
109.02505	1.0
119.28450	0.6
122.91678	0.6
123.00869	0.9
123.04535	30.2
149.02472	1.1
152.01161	42.0
153.01544	1.3
163.68478	0.5
166.02687	0.6
167.03503	100.0
168.03877	3.4
169.01381	0.7
170.97849	0.9
177.01849	0.8
182.02159	0.6
184.53946	0.7
197.04698	1.0
209.04492	0.9
329.09058	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	329.1032
Annotation	Bussealin E
Peak:m/z	Relative Intensity
57.51247	0.5
59.01374	1.7
71.74735	0.4
74.62389	0.6
77.03979	1.5
97.06582	0.6
99.08152	1.1
108.02193	3.0
109.02962	2.7
119.05080	0.9
121.02943	2.3
123.04543	3.3
125.09811	0.8
127.11283	1.1
129.09258	0.6
133.02960	2.2
134.03772	6.7
135.04561	0.9
136.01682	3.0
136.63760	0.5
137.02498	4.1
145.02965	1.0
146.03722	0.5
149.02437	1.7
149.06062	2.5
151.04025	13.0
160.05191	0.6
162.06915	0.8
165.01930	0.9
165.05583	3.4
167.03503	4.7
171.10265	1.2
173.06097	0.5
174.06873	0.7
175.07637	1.0
177.01942	4.9
177.09193	3.9
178.02650	0.7
179.03554	3.3
180.04150	0.7
191.03510	2.2
192.04289	9.4
193.05072	2.4
199.13431	1.9
205.05087	1.6
205.08705	3.0
206.05882	3.3
209.06078	0.7
212.03162	0.9
225.05498	0.6
227.07152	1.0
230.57217	0.6
237.05592	1.7
238.06390	0.7
243.06639	1.6
253.05211	0.7
254.05721	1.2
255.06590	2.2
257.08145	0.7
267.06451	0.7
269.08109	0.8
270.98807	1.0
271.06189	3.0
279.10309	0.6
281.04681	0.8
281.08115	0.8
285.07669	1.4
286.08444	0.7
293.21164	0.9
295.06076	1.9
295.09772	1.6
296.06842	2.3
296.10559	3.3
297.07730	5.9
298.08545	0.8
299.05673	10.6
300.05664	0.6
311.12906	10.1
311.22418	1.0
312.06415	0.9
312.13376	0.8
313.07178	13.3
314.07977	29.4
315.08304	2.3
318.38150	0.6
329.10324	100.0
329.13660	4.9
329.23315	23.5
330.10724	7.3
330.14395	1.0
330.23706	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81576	0.6
51.34052	0.7
52.14957	0.6
57.03440	0.8
59.01381	1.8
69.03484	1.0
71.01376	1.3
81.03458	2.9
83.01366	0.7
85.02955	0.8
86.52829	0.6
87.04533	0.6
93.03436	1.1
95.01375	0.8
95.05035	0.6
107.01408	3.0
108.02173	3.1
109.02978	3.4
109.06575	1.3
111.00919	1.1
111.04520	6.1
119.05022	0.7
120.91674	0.6
121.02940	6.6
122.03738	1.3
123.00897	3.0
123.04496	3.1
124.01656	1.7
125.01533	1.4
125.02456	24.9
133.02986	1.4
133.06657	0.7
134.03755	5.6
135.04543	6.0
136.01678	5.1
137.02449	2.8
139.00371	1.4
140.01111	1.8
145.02975	1.0
147.04517	2.4
148.05312	2.2
149.02458	4.4
149.06108	2.3
150.03224	1.5
151.00397	1.4
151.04021	5.6
151.07666	13.4
159.04488	1.3
160.05315	0.9
161.02443	0.9
161.06100	1.7
162.03212	1.1
163.04007	2.2
163.07623	1.5
167.03503	1.5
167.07109	1.3
168.00626	1.4
169.01440	18.2
175.03960	1.2
177.01947	0.9
177.05548	1.7
179.03546	1.7
182.02211	0.7
187.07751	0.7
191.03571	1.0
192.04347	4.0
193.01419	1.0
193.05016	0.8
195.06638	36.2
196.03777	1.0
199.07620	0.8
205.01436	1.3
205.05222	3.1
206.05823	2.1
207.02875	0.8
209.06169	1.3
212.04807	1.2
213.05667	1.2
223.07718	1.0
224.03111	0.9
225.05690	1.3
227.03484	0.9
227.07133	1.6
228.04259	1.6
230.95439	0.7
232.03062	1.7
237.05666	0.8
238.06363	1.9
239.07214	4.2
241.05086	3.6
242.06090	0.7
251.07027	0.9
252.07916	0.9
253.05113	1.2
253.08624	1.3
254.05885	2.1
255.06654	8.8
256.07379	10.3
257.04590	1.3
257.08096	2.4
267.06720	2.3
268.07416	2.2
269.04550	0.8
269.08121	3.9
270.05368	1.8
270.08972	3.5
270.98767	0.8
271.06113	5.6
271.09039	1.1
281.04614	1.2
283.06076	1.9
284.06912	12.2
285.07617	3.8
285.11111	1.3
285.20715	0.9
295.04868	2.4
296.07083	3.8
297.07587	1.2
298.08337	0.8
299.02203	1.4
299.05667	4.9
311.09344	5.0
311.12463	1.0
313.05548	7.3
314.00745	1.2
314.08002	8.9
314.11566	1.3
329.06946	4.4
329.10315	100.0
329.13599	4.2
329.19644	3.7
329.23260	1.2
330.06839	2.0
330.10654	8.6
330.14450	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1031
Annotation	5,7,4'-Trihydroxy-3'-methoxy-6,8-di-C-methylflavanone
Peak:m/z	Relative Intensity
51.42273	0.5
59.01372	0.7
69.12170	3.9
77.77931	0.4
79.01896	10.0
79.78030	0.4
84.03796	0.6
85.06589	0.8
91.05557	0.9
97.02960	2.3
108.02171	1.3
109.02970	0.8
111.04527	4.2
119.04988	0.5
121.02946	1.1
123.04510	0.6
134.03751	7.1
135.04527	22.0
136.01662	1.5
136.05353	4.5
137.02553	0.5
137.53876	0.5
147.83807	0.5
149.02429	1.0
149.06075	2.0
150.03244	4.4
151.03990	2.0
152.04799	0.7
153.01930	1.8
153.05571	5.0
161.02522	0.8
163.04030	4.5
164.04799	17.4
165.05380	0.8
167.03496	0.8
172.05252	0.8
173.02400	0.5
174.03270	1.0
175.04025	0.6
178.02727	3.0
179.03510	28.5
180.03946	1.4
191.03557	0.7
192.04298	17.3
193.04857	0.8
196.03793	2.0
196.05356	0.5
201.01949	1.8
205.05099	2.8
212.04718	0.6
213.05597	2.5
214.06239	1.2
224.03268	20.7
225.03508	0.9
227.07112	0.7
229.05038	4.7
241.05054	0.9
252.07913	0.9
253.08698	0.6
255.06650	1.8
268.07419	1.4
269.08173	1.8
270.08954	4.6
271.09131	0.6
285.11313	3.6
286.08524	0.6
287.09036	0.5
296.06943	1.2
298.98431	0.9
299.05777	0.6
311.09131	1.0
313.06967	0.8
314.07996	10.4
315.08212	0.8
329.10315	100.0
329.13443	3.7
329.23291	5.6
330.10617	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	329.1067
Annotation	4-Gingesulfonic acid
Peak:m/z	Relative Intensity
52.40909	1.2
54.92635	1.2
56.56133	1.3
69.03446	3.5
69.25057	8.4
71.07780	1.2
83.09998	1.6
85.39449	1.3
87.00879	27.3
95.03030	1.6
98.22575	3.3
102.98607	6.5
113.44561	1.3
113.95516	1.4
115.01529	1.5
120.99662	24.2
122.02768	1.6
127.96262	1.4
144.82860	1.3
145.10194	2.4
148.56068	1.4
195.66365	1.3
207.10265	13.9
241.09055	65.3
242.09402	3.9
329.10654	100.0
330.11035	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	329.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12197	1.4
52.30541	1.3
57.03439	1.7
59.01385	100.0
63.96264	1.6
67.57915	1.1
69.03448	1.8
69.18846	9.2
71.01386	23.9
72.99319	3.3
73.02957	2.4
74.99109	2.1
79.95749	3.1
81.03435	3.1
83.01395	3.8
85.02944	5.7
87.00867	2.2
89.02454	3.4
95.01402	2.0
96.96017	32.1
97.02983	2.6
101.02449	5.1
108.02200	1.6
109.02911	2.2
113.02479	3.4
116.67139	1.6
118.94226	25.5
122.96496	1.6
123.00918	2.4
123.04547	10.1
123.08174	1.8
125.02460	11.5
129.72835	1.3
130.79932	1.3
135.04512	2.7
135.98358	5.0
137.02405	1.5
141.09238	4.6
147.04475	1.4
149.02403	1.9
153.81381	1.3
161.04576	3.7
163.00342	2.7
163.03918	1.5
163.21275	1.2
165.01904	2.3
167.03510	39.0
167.04918	1.9
167.07143	2.3
168.03018	2.5
190.99765	2.4
199.09468	1.3
204.04306	1.7
219.06787	1.6
269.03418	3.3
269.10379	2.8
270.98926	1.6
285.00467	2.0
285.13306	2.4
288.56384	1.2
301.03290	2.0
328.99686	1.8
329.03058	6.6
329.06799	39.7
329.12460	23.8
330.07892	2.6
330.12659	1.8
347.44177	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21712	0.2
59.01376	0.9
65.78912	0.2
67.01871	0.3
71.01378	0.7
72.97590	0.2
78.03175	0.2
81.03466	0.3
85.02996	0.2
93.03470	0.3
95.05020	0.2
99.70211	0.2
101.02458	0.3
108.02178	0.7
109.02969	0.9
111.04516	0.5
113.02439	0.2
119.05001	0.4
120.99678	0.4
121.02893	0.3
122.03749	8.6
123.00857	0.4
123.04559	2.3
124.01673	1.0
125.02493	0.4
135.04507	0.4
137.02466	2.3
137.06094	1.2
139.04070	0.3
145.06589	0.3
150.03227	0.2
151.00337	0.4
151.03978	0.2
152.01146	0.5
153.01958	0.4
154.02718	1.6
165.01884	0.4
166.02695	0.5
167.03535	3.7
167.07144	100.0
168.07483	4.1
173.88463	0.2
177.01836	0.3
181.05092	0.7
194.02271	0.3
202.39124	0.2
209.04559	5.5
210.05028	0.2
239.05557	1.0
255.87793	0.2
269.06628	0.9
269.09570	0.2
271.89825	0.2
285.00375	0.3
291.07617	0.4
320.11908	0.2
329.02823	0.3
329.12454	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
69.16521	0.3
69.86815	0.6
69.87208	0.8
89.60207	0.3
121.02945	0.8
122.03749	1.0
125.80929	0.3
130.04332	0.4
135.04497	1.3
137.02423	0.4
147.04536	1.8
148.05316	13.6
149.02504	2.9
149.06085	100.0
150.06416	3.4
151.04041	0.3
163.07664	0.9
164.04796	7.5
177.09149	0.3
179.07147	3.9
217.02240	0.3
224.14259	0.3
264.12735	0.3
299.77042	0.3
311.12799	0.4
329.13943	2.7
329.23114	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1397
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
59.01382	1.0
61.92724	0.7
69.00343	5.0
72.86552	0.7
79.95737	1.6
83.05026	0.8
93.03449	1.6
96.96017	70.1
97.06620	0.8
98.21606	0.7
103.05476	0.8
105.03461	0.9
108.02173	1.4
109.02925	2.1
111.08175	0.9
119.05042	0.9
121.02966	16.0
122.03763	3.8
123.00869	3.4
123.04540	2.0
124.01665	1.5
124.04842	0.8
131.05034	2.3
135.04526	1.0
136.01660	1.3
136.05345	2.7
137.02458	2.2
137.06056	1.2
138.03178	1.4
143.05037	2.9
145.02962	2.7
145.06490	1.1
146.03741	0.9
147.04515	10.4
149.02448	5.8
149.06078	1.4
150.03233	22.7
151.03979	1.5
153.05591	1.3
158.03746	17.2
159.04529	47.6
160.05310	100.0
161.06096	42.8
162.03204	0.8
162.06360	1.5
163.04010	21.2
164.04807	16.3
168.04288	1.4
173.06097	11.3
175.07651	73.3
176.04813	1.4
176.08000	3.0
177.05577	21.2
178.06371	12.1
179.03503	1.4
191.07240	0.9
192.07877	1.3
193.08728	9.8
196.50673	0.8
205.05049	1.2
235.51720	0.7
240.04301	1.3
254.05981	0.9
255.03149	0.8
257.04706	0.9
270.98862	5.4
298.98337	5.9
299.05844	1.0
299.09210	2.3
299.12564	1.2
299.98654	1.1
314.00711	9.2
314.08054	1.8
314.11676	3.7
329.03381	5.9
329.10571	31.3
329.14017	91.4
329.23297	4.2
330.10846	2.6
330.14362	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	329.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
93.03471	2.6
94.02396	0.6
109.02982	2.6
121.02968	32.4
122.03421	0.5
135.04576	3.9
136.04900	0.6
147.04514	11.7
159.04518	4.1
167.07242	0.8
185.99557	0.6
186.99992	1.2
187.03957	0.7
192.07980	1.2
196.05341	2.3
197.06050	0.7
197.99672	1.1
198.99922	1.7
208.70827	0.6
210.06909	1.0
211.04022	1.9
211.07755	0.7
212.04799	6.7
213.05464	0.7
213.09241	1.4
214.99652	0.9
222.06903	1.1
222.59235	0.6
223.07675	2.0
224.04825	0.9
224.06767	1.2
225.05547	1.4
225.09253	1.5
226.06412	2.9
227.03252	0.6
227.06837	0.7
229.08542	0.7
237.05519	1.0
239.07140	0.7
240.04277	6.7
240.07954	1.3
241.08846	3.6
242.99066	1.7
243.10207	3.6
251.07091	3.3
253.05096	2.0
253.08658	4.4
254.05840	10.8
254.08440	0.9
254.09442	0.6
255.10287	2.0
255.99715	0.9
263.07254	1.3
265.08691	1.5
267.06769	1.1
268.07419	1.9
269.08197	81.7
269.98105	2.4
270.08572	8.4
270.98508	16.1
271.09799	11.8
271.98560	1.4
280.98206	0.7
281.08160	12.8
282.08780	1.8
283.09793	5.1
283.99612	0.8
284.10434	1.0
285.00424	1.8
286.00827	4.5
286.04858	2.4
297.97531	2.8
298.08606	1.0
298.98010	21.5
299.09262	60.4
299.98181	2.2
300.09595	3.7
312.99884	4.6
313.10880	2.2
314.00360	24.5
314.03925	1.8
314.11612	82.1
315.00616	2.1
315.11960	7.2
329.02832	22.0
329.13937	100.0
330.03052	2.1
330.14264	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	329.1397
Annotation	Muricarpone B
Peak:m/z	Relative Intensity
50.71637	0.5
51.85270	0.4
54.53283	0.4
69.01967	1.6
69.02386	2.6
93.03442	0.6
97.06602	0.5
97.22849	0.5
105.93632	0.5
108.02180	1.8
109.02976	2.4
121.02970	10.2
122.03781	0.7
123.04539	2.1
125.09744	1.9
134.03757	8.3
135.04533	6.7
137.02440	1.0
139.30095	0.5
145.03006	0.9
146.03766	0.7
147.04533	8.3
148.05330	4.4
149.06093	9.4
159.04581	1.0
160.05307	1.5
161.06117	3.3
163.07747	2.8
167.07178	2.5
175.07648	1.0
177.48528	0.5
179.07130	1.3
180.04195	0.4
187.03874	0.5
187.09718	1.4
191.07120	0.8
192.07896	4.8
193.08705	3.3
201.20284	0.5
205.08669	1.3
206.09477	1.9
206.76656	0.5
251.07104	1.0
252.07832	1.0
254.05878	2.1
255.06654	0.7
257.08231	1.0
265.08685	1.4
266.09351	0.7
267.10239	0.9
268.07495	1.3
269.08218	4.8
269.11154	0.8
270.08749	0.7
270.98831	0.9
271.09738	1.2
281.08102	1.0
283.09778	8.3
284.10199	1.4
295.09778	1.3
296.10385	3.4
297.08066	0.9
297.11325	7.1
298.11859	0.7
299.09280	6.1
312.09863	1.0
313.10815	10.8
314.11578	23.9
315.11890	1.6
329.13940	100.0
330.14282	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	329.1397
Annotation	Macquarimicin A
Peak:m/z	Relative Intensity
54.01440	0.5
59.01376	1.4
68.01126	0.6
70.91877	0.9
83.01362	0.6
83.05029	0.5
95.01417	0.7
108.02171	7.5
108.42384	0.6
109.02389	0.6
109.02975	8.5
111.00868	1.8
111.08167	1.5
118.15178	0.5
121.02987	1.5
122.03801	1.2
123.00893	6.6
123.04540	4.3
124.01689	8.6
125.09720	0.7
127.11238	0.9
135.04520	2.1
136.01666	41.3
137.02458	38.1
138.02773	1.9
146.03703	1.4
147.04491	1.1
148.05309	2.2
149.06071	7.2
150.03256	3.2
150.59645	0.6
151.04016	39.5
152.01091	0.8
152.04350	1.4
153.01959	1.3
155.10733	1.0
159.04506	1.0
160.05318	2.3
161.06114	1.7
162.06853	1.5
163.04041	1.5
164.04797	3.9
165.05580	13.1
166.05881	0.8
171.10229	1.6
173.06032	1.0
175.07655	10.4
176.08344	1.2
177.01880	0.7
177.05508	0.9
177.09216	19.5
178.02713	4.9
178.09537	0.6
179.00024	0.8
179.03505	8.6
180.03812	0.6
187.07622	4.3
189.05521	0.7
190.06329	1.4
191.07211	4.8
193.05064	1.0
201.09190	0.7
205.05067	2.5
224.36913	0.5
246.34288	0.6
249.53647	0.6
270.98773	4.3
271.02441	0.6
281.08112	2.0
285.00427	1.2
286.01016	0.9
296.10495	1.1
298.98282	4.6
309.65482	0.5
311.12881	3.5
311.22256	0.9
312.99957	2.4
314.00549	5.8
314.04373	2.1
314.07922	0.6
314.11588	2.4
327.21774	0.6
329.03442	7.9
329.06848	3.6
329.10727	4.4
329.13934	100.0
329.23184	16.3
330.03552	0.8
330.14252	9.4
330.23737	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1396
Annotation	Macquarimicin A
Peak:m/z	Relative Intensity
59.01376	0.2
65.00338	0.3
70.33416	0.3
70.33789	0.2
73.41901	0.1
74.92971	0.1
77.03957	1.1
93.03471	2.0
95.01388	1.4
95.05031	1.8
95.93098	0.1
98.22568	0.1
105.03470	0.5
121.02962	11.4
123.04517	0.9
132.02150	1.2
133.02931	0.2
137.02505	0.5
147.04486	0.7
148.01682	0.2
149.02448	100.0
150.02783	3.6
153.05545	0.2
164.04802	15.2
165.05128	0.5
166.06342	0.9
167.07144	7.6
168.07437	0.3
173.01549	0.2
209.79048	0.2
242.09729	0.2
243.10524	0.3
270.08945	0.8
270.98956	0.2
271.09760	0.6
282.09174	0.3
283.09769	2.3
284.10278	0.2
285.11365	1.0
297.11377	0.2
298.11838	0.2
298.98309	0.2
299.09439	0.3
314.11615	27.2
315.11899	2.3
321.55273	0.2
329.13940	36.4
330.14282	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1397
Annotation	Chushizisin G
Peak:m/z	Relative Intensity
58.19086	0.7
59.01390	2.4
69.03477	0.9
70.40373	2.0
71.01395	1.3
76.91659	0.7
83.05064	1.0
93.03488	1.4
95.05027	1.2
97.06610	0.9
103.96584	0.7
108.02204	3.0
109.02979	3.4
111.08140	0.7
115.03993	1.0
118.87673	0.7
121.02955	7.1
122.03739	2.3
123.04559	1.9
124.01659	0.8
125.02494	0.9
125.09727	2.3
134.03745	5.5
135.04539	7.7
136.01651	2.4
137.02519	4.3
138.02811	1.7
144.57233	0.7
147.04541	7.0
148.05321	19.0
149.02490	3.4
149.06097	100.0
150.06421	4.4
151.03998	2.9
152.04268	0.8
153.34010	0.8
159.04605	0.9
161.06076	2.6
162.06773	0.7
163.07649	2.2
164.04799	9.5
167.07146	2.2
171.10315	1.7
179.07100	3.5
187.09796	1.8
192.07896	2.5
193.08698	2.1
201.11385	1.6
205.05040	1.0
213.05263	0.8
213.14978	2.4
225.11421	0.9
227.07242	0.9
240.04385	0.9
243.12456	1.1
251.07210	1.0
252.07901	1.5
253.04991	1.1
253.08707	2.6
254.05972	1.5
254.09439	0.7
255.06561	2.4
257.08194	1.3
268.07468	0.8
269.08188	5.8
270.08981	6.0
270.98822	6.2
271.01837	1.2
271.09555	1.2
283.09692	2.7
285.07867	1.4
285.11255	4.9
295.09991	0.9
296.10504	1.5
297.08017	0.9
297.11221	3.9
298.98480	5.0
299.09253	2.5
313.00119	0.9
313.10745	3.1
314.00629	5.6
314.03851	1.0
314.08234	1.2
314.11569	8.6
329.03583	3.4
329.06564	2.1
329.10748	3.1
329.13898	63.7
329.22931	8.1
330.14261	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	329.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
62.01139	0.5
65.00343	0.5
69.22676	1.3
69.23106	2.3
80.24048	0.4
90.15487	0.4
93.74434	0.5
98.21819	1.0
101.95300	0.5
109.06596	1.6
109.75376	0.5
111.04526	2.9
113.06100	1.0
137.02470	0.6
151.07681	0.5
152.04758	0.8
163.04042	0.8
175.11270	0.4
177.01933	0.6
179.07187	0.5
179.11331	0.4
180.04372	0.9
181.05029	0.8
184.03748	0.9
189.05493	0.7
194.05891	0.5
195.06683	0.9
201.09201	0.8
205.05064	5.5
207.06699	2.4
215.07144	0.4
215.10771	1.5
217.05087	2.8
219.06691	3.2
220.07437	2.8
232.10884	0.7
233.08202	31.2
234.08542	1.3
243.10252	0.5
245.08174	5.4
248.10587	6.1
249.11055	0.6
259.09723	4.8
260.10529	7.9
261.11041	1.1
273.10126	0.5
280.09485	1.8
285.18576	1.3
292.09549	1.0
327.16260	0.5
329.17593	100.0
330.17914	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	329.1971
Annotation	oscr#17
Peak:m/z	Relative Intensity
50.87458	0.9
52.20684	0.8
57.03450	8.5
62.46546	0.8
69.11241	6.1
81.03469	1.4
83.05035	16.2
93.03474	1.7
94.84339	0.8
97.06610	3.4
109.06596	5.1
110.33696	0.8
111.08167	100.0
112.08503	2.7
117.03515	1.0
123.08224	1.2
125.09739	18.5
127.11255	1.9
129.09242	3.2
139.11322	1.3
149.39995	0.9
155.07169	1.0
155.10779	2.1
159.10313	5.5
173.08203	19.6
173.11829	35.5
174.12163	2.2
187.09781	4.9
220.03864	1.2
235.06021	0.9
267.19717	6.3
267.22174	1.0
311.18610	10.7
311.22049	1.4
312.19235	1.1
329.19711	91.0
329.23123	4.6
330.20081	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	329.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09879	0.5
57.03447	1.4
59.01379	0.7
71.05002	0.6
79.69368	0.6
83.05052	0.8
97.06580	0.9
98.21719	1.3
98.51337	0.6
99.08165	7.0
108.02147	0.9
125.09723	1.7
127.11285	2.3
127.46211	0.7
129.09184	0.7
131.77493	0.5
155.14413	1.1
165.12881	0.8
167.14384	1.5
171.10258	3.7
171.22125	0.6
183.13928	8.7
184.14238	0.6
190.57191	0.5
193.12343	1.8
197.11945	0.6
199.03966	0.7
199.13467	0.7
209.11835	1.9
211.13409	35.6
212.13748	2.5
228.73022	0.7
229.14449	20.0
230.14738	1.1
270.99222	0.6
271.02448	3.3
278.92029	0.8
293.21243	1.4
299.01935	5.6
311.22208	1.6
314.04346	1.9
329.06589	2.5
329.23358	100.0
330.23660	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	329.2335
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
52.46542	0.5
56.23351	0.4
57.03434	0.6
58.00588	1.4
58.13939	0.4
59.01380	3.2
70.48737	1.0
71.19843	0.4
75.06847	0.5
88.87790	0.5
99.08179	3.5
113.09728	0.7
121.10263	0.5
125.09747	1.8
127.07678	0.7
127.11303	3.8
129.09224	3.1
131.05064	0.6
137.09698	0.7
139.11293	3.2
155.10831	1.1
157.12369	0.6
165.09254	0.8
169.12311	3.2
171.10278	14.2
181.12280	2.9
183.13885	0.7
193.12350	1.3
199.09764	0.5
199.13408	10.0
199.14890	0.4
201.11331	10.2
202.11475	0.5
211.13406	7.1
219.02034	0.5
229.14523	0.6
249.22253	0.7
265.21426	0.5
270.98770	1.9
275.20255	1.2
293.21191	3.1
298.98300	2.3
311.22400	3.7
314.00693	2.7
329.03104	1.6
329.23343	100.0
330.23709	7.7
338.68039	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2337
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
51.09528	0.4
57.03437	0.8
57.66187	0.5
59.01370	1.6
61.88396	0.5
67.05975	0.6
67.61251	0.5
83.05032	1.1
95.05040	1.2
97.06578	2.6
98.22560	0.8
99.00905	1.2
99.08168	2.6
100.41245	0.5
111.08131	0.6
125.09735	3.5
127.11306	5.4
135.04552	0.6
137.02449	1.0
137.09709	1.1
139.11320	3.4
149.06105	2.0
149.07262	0.5
151.03958	0.5
155.10776	2.2
155.14478	0.5
157.08727	1.3
157.12340	1.1
165.09222	1.6
167.14444	0.6
171.10289	11.9
173.11826	0.8
183.10287	1.2
183.13902	2.6
187.09735	0.6
193.12326	1.4
199.09659	0.8
201.11333	16.0
209.11824	0.8
211.13419	13.3
227.03545	0.8
229.14464	6.2
242.99332	2.9
258.01471	0.6
270.98862	21.1
271.02313	1.5
271.99222	1.9
281.04459	0.7
283.99756	0.9
285.00443	2.3
293.21225	1.7
298.98395	20.1
299.01892	2.1
299.05341	0.8
299.98819	2.6
311.12177	0.5
311.22336	2.7
312.99872	4.8
314.00714	24.7
314.04248	1.6
314.07980	0.9
315.01227	2.5
327.21741	0.5
328.99075	1.1
329.03079	21.5
329.06561	2.1
329.10275	2.3
329.23346	100.0
330.03329	2.3
330.23672	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00599	1.6
59.01402	3.3
74.96258	0.6
79.71356	0.5
85.74058	0.7
87.13112	0.6
99.07578	0.8
99.08169	9.2
127.07655	2.4
129.09227	8.5
153.12877	0.8
167.10794	0.7
169.12343	4.1
181.12337	5.8
183.13864	2.0
193.12376	1.6
197.11824	2.4
199.13406	21.5
200.13791	1.1
211.13420	13.6
227.12985	1.0
229.14360	1.4
270.98834	2.0
271.02512	2.6
275.20139	1.2
292.85742	0.6
293.21231	3.9
296.85764	0.5
298.98346	1.8
299.02039	2.7
311.22336	3.3
313.03503	1.7
314.00546	2.4
314.04358	3.1
329.03015	1.4
329.06564	5.8
329.23346	100.0
330.23727	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	329.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01520	0.2
57.03442	0.9
59.01371	0.4
65.10873	0.3
69.03449	0.5
70.23289	0.7
71.05019	0.3
72.95589	0.2
81.03480	0.2
83.05025	1.0
85.02969	0.4
97.06627	0.3
99.08159	5.8
111.08142	0.2
125.09727	1.7
127.11316	3.0
129.09233	0.5
137.09727	0.3
139.11302	3.1
154.07852	0.2
155.10785	0.5
155.14487	1.2
165.12846	0.9
167.10756	0.5
167.14417	1.7
171.10271	8.5
172.10561	0.3
183.13907	7.6
184.14203	0.3
188.41463	0.2
190.72571	0.2
193.12312	2.1
199.13388	0.6
201.14911	0.3
209.11864	1.7
211.13399	33.7
212.13751	1.9
229.14445	18.3
230.14841	0.8
258.87601	0.2
270.98886	0.4
271.02524	0.8
293.21298	1.1
298.98706	0.4
299.01971	1.4
311.22278	1.1
314.00247	0.7
314.04071	0.6
329.06750	0.8
329.23340	100.0
330.23697	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	329.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86148	0.3
57.03421	0.8
58.84399	0.3
59.01379	1.0
59.98219	0.3
69.12766	1.9
83.05009	0.6
88.16702	0.3
92.76115	0.3
96.89320	0.3
97.06605	1.3
99.08143	0.4
99.70702	0.3
109.02901	0.3
111.08165	0.9
123.08144	0.8
125.09737	4.1
127.11304	5.9
136.01675	0.4
139.11290	0.5
141.12927	0.3
143.10771	0.9
150.03262	0.5
153.09235	0.5
155.10756	2.2
157.08682	0.8
157.12364	1.7
169.12422	0.3
171.10281	13.9
171.71736	0.3
173.11826	0.7
174.12175	0.3
176.32536	0.3
178.02719	0.7
178.87102	0.3
179.03503	1.3
183.13902	0.6
185.11888	0.6
187.09769	0.6
201.11414	0.7
204.52710	0.3
211.13359	0.6
214.99623	0.4
229.14468	0.6
242.99252	0.6
249.18602	1.3
267.19583	1.0
270.98813	6.2
271.99222	0.4
283.22784	1.0
283.99695	0.3
285.00433	1.1
286.01016	0.7
293.17709	0.3
293.21210	0.8
298.98288	6.7
299.22232	0.8
299.98688	0.7
311.18625	1.3
311.22299	4.2
312.22491	0.4
312.99893	1.9
314.00653	6.5
315.01190	0.6
327.21759	3.2
329.03088	7.8
329.19815	7.2
329.23334	100.0
330.03387	1.1
330.20230	0.6
330.23694	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	329.2335
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
50.98805	0.9
57.03452	7.6
59.01391	1.1
69.01309	7.4
83.05039	1.3
95.05041	2.0
97.05995	1.4
97.06596	18.4
111.08169	1.2
116.03784	0.9
123.08189	12.6
124.70173	0.9
125.09737	100.0
126.10077	3.5
127.11315	5.3
139.11267	2.0
148.05234	2.0
149.05969	2.1
150.05777	1.2
151.93080	0.9
153.12883	1.4
155.10796	3.5
157.12296	1.1
159.10188	1.2
169.08720	2.7
171.10303	2.4
173.11839	91.4
174.12204	3.4
181.87233	1.0
183.10243	1.2
187.09749	3.2
187.13419	2.6
215.40669	0.9
242.99240	1.0
270.98837	3.5
296.97311	1.1
298.98279	2.9
307.30258	1.0
314.00769	3.8
315.00989	1.0
329.03247	2.6
329.23352	84.1
330.23749	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	330.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.4
58.00584	2.4
59.01383	100.0
60.01715	7.3
63.96240	2.2
68.99155	13.0
71.01388	29.2
72.99319	5.4
73.02938	2.6
73.81296	1.5
74.99101	1.8
79.19376	1.5
83.01373	1.6
85.02962	8.6
87.00872	2.0
89.02449	34.5
90.02743	1.4
95.01372	4.1
96.96012	4.3
101.02448	16.0
102.02793	1.5
113.02469	13.8
118.94178	3.1
119.03501	12.3
124.01664	1.6
125.02431	4.7
130.08696	3.2
135.98383	5.4
138.01956	5.0
138.02983	1.4
143.03487	2.2
151.02823	1.8
152.03542	12.2
153.06731	2.4
155.64125	1.4
161.04547	3.8
166.01483	3.5
167.03499	4.0
168.00655	4.0
168.02974	35.2
169.01405	4.6
179.05582	2.9
181.07294	1.4
192.02989	2.1
209.02426	1.3
210.03972	8.0
210.79094	1.3
211.02487	7.3
220.78052	1.5
222.04045	3.9
233.42751	1.6
237.92937	1.4
270.06210	2.8
271.04532	13.9
330.08304	40.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1196
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
50.61677	0.6
55.01896	0.8
57.41896	0.6
59.01376	12.8
61.58355	0.6
71.01391	6.8
71.27761	0.7
72.99303	1.9
73.02927	1.4
76.15936	0.7
82.75185	0.6
83.01396	1.0
85.02958	3.3
86.00113	3.8
87.00872	22.0
89.01984	0.8
89.02435	3.9
94.06659	0.8
95.01384	1.2
99.00890	1.6
101.02455	3.9
107.01437	1.1
107.03781	2.1
108.04579	1.5
111.00895	1.6
113.02442	3.8
119.03498	1.1
121.05322	3.2
122.02470	0.7
122.06129	39.7
123.00906	1.0
123.04659	0.6
123.06456	1.3
125.02444	7.7
129.01921	1.1
134.06119	4.8
135.03256	2.0
136.04051	2.3
136.07686	15.2
137.07985	1.1
138.05618	1.8
139.00439	0.7
140.01175	0.8
148.04021	0.9
148.07695	1.4
149.04852	1.4
150.05609	100.0
151.00453	0.8
151.04016	1.4
151.05907	3.4
152.07188	10.0
158.06084	1.1
159.01601	0.7
159.03093	0.8
161.04738	1.5
162.05627	4.4
164.07123	4.0
168.00655	1.1
168.06689	1.1
169.01434	14.2
169.05009	0.6
174.05586	2.6
175.06406	4.0
176.07156	7.8
192.06665	2.5
193.01418	1.0
194.06651	0.6
194.08215	3.8
204.06674	2.8
211.02528	4.1
222.07645	3.4
252.08803	1.6
271.04544	2.2
300.10895	1.2
312.10889	48.2
313.11200	2.8
328.10278	0.7
330.11935	21.5
331.06686	12.1
331.11212	0.8
331.12274	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0461
Annotation	Quercetagetin 3-methyl ether
Peak:m/z	Relative Intensity
56.28667	0.6
57.29821	0.7
59.01377	0.9
69.52689	1.4
69.53098	2.1
82.34993	0.6
87.00873	2.3
96.96011	1.5
98.95592	2.4
109.02956	1.9
120.99667	4.3
121.02951	1.0
123.00838	0.9
123.04543	0.8
124.01659	7.7
125.02444	2.4
136.01608	1.0
139.04057	1.5
148.01678	0.8
150.03194	1.0
151.00391	2.5
152.01225	1.2
159.04446	1.1
160.05125	2.2
161.05884	3.2
162.06052	0.9
163.03957	1.1
164.01117	3.4
168.00652	0.9
169.01433	1.2
175.07632	1.6
176.08003	1.6
177.08179	1.3
178.99875	1.5
191.03549	3.6
198.11920	0.8
199.04018	1.4
203.03557	1.1
209.11981	1.1
214.02716	8.2
215.03285	1.0
215.12837	1.1
227.03502	1.8
232.03746	0.8
242.02194	5.9
243.02950	5.4
243.10542	2.8
255.02873	0.8
259.02414	9.4
270.01709	7.8
270.04742	1.2
271.02478	41.5
272.02982	3.1
285.07764	3.1
287.01965	24.5
288.02530	3.2
300.10049	1.9
301.10797	0.8
316.02237	100.0
317.02615	6.1
317.19858	0.7
330.23578	0.7
331.04526	50.1
331.11755	3.6
331.14755	3.5
332.05011	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	331.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	6.1
63.91180	0.8
68.72279	0.8
69.03445	3.0
70.67797	1.4
71.01384	4.2
72.99303	0.8
79.01898	1.5
81.03446	2.3
81.67549	0.8
83.01377	2.3
84.51366	0.8
85.02934	1.6
87.00903	1.0
89.02447	2.8
95.01390	1.4
97.02957	2.9
101.02437	1.8
107.01392	6.0
109.02965	1.0
111.00931	0.9
113.02478	0.9
123.00908	6.0
124.01676	15.0
125.02453	83.7
126.02744	1.8
137.02464	1.4
139.00388	1.7
140.01126	2.0
149.99582	20.4
151.00383	5.8
152.98380	0.8
153.01947	5.9
153.99121	0.9
167.03500	2.1
168.00648	50.0
168.04263	2.6
169.01431	67.2
169.05104	2.6
170.01723	2.0
181.01442	0.8
183.02858	0.9
193.01276	0.9
210.52119	0.8
211.02469	11.0
241.03534	4.4
251.54849	0.7
271.04575	10.1
313.05685	5.0
331.06705	100.0
332.07056	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	331.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12228	0.8
58.45420	0.9
59.01385	6.8
69.03446	1.0
69.70152	1.7
71.01398	5.3
72.99322	0.9
77.05603	0.7
89.02444	2.3
93.35619	0.7
95.01410	1.1
97.02923	1.0
98.22467	1.5
101.02490	1.4
107.01394	5.7
111.00889	2.7
113.02402	1.4
115.31787	0.7
123.00888	2.0
124.01623	4.9
125.02460	40.5
127.00314	1.0
136.98796	2.0
139.00398	2.3
139.04022	20.8
140.01172	4.0
151.00371	1.7
158.77310	0.8
167.03473	2.2
168.00656	16.3
168.04279	1.2
169.01431	61.8
169.05074	31.5
170.01842	1.2
170.05371	1.0
178.80060	0.8
184.34270	0.7
211.02487	59.8
212.02902	2.3
241.03552	11.3
271.04605	100.0
272.04886	4.2
331.06702	15.5
331.10452	5.0
332.06943	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0674
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
59.01385	15.6
70.48556	1.8
70.48901	2.2
71.01393	9.7
79.01899	1.3
83.01365	1.0
83.63609	0.9
85.02953	2.1
89.02451	5.9
91.57159	0.9
95.01388	2.8
101.02456	3.5
107.01385	8.0
111.00922	1.7
113.02467	3.0
119.03514	1.2
123.00900	10.6
123.10880	0.9
124.01651	5.2
125.02459	66.0
126.02777	1.8
127.00462	1.5
135.06549	1.3
136.98851	1.3
137.02483	1.5
137.20479	1.0
139.00435	5.2
140.01205	2.1
141.01897	2.1
151.00388	7.7
167.03499	1.5
168.00655	14.6
169.01440	100.0
170.01782	3.1
183.02960	1.2
193.01410	1.4
211.02501	42.3
212.02946	1.6
223.02437	1.7
241.03534	6.8
254.04646	2.3
271.04623	58.7
272.04971	4.3
312.50717	1.1
331.06720	62.7
332.07108	3.5
353.56650	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0673
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
50.80797	0.7
55.12157	0.6
57.01789	0.6
58.21265	0.5
59.01377	1.2
60.02468	0.5
62.15022	0.5
67.84921	0.6
69.03450	2.6
69.63546	2.5
70.77995	0.5
71.01376	1.9
72.22396	0.6
79.01893	1.2
81.03448	1.5
83.01366	1.6
83.99709	0.7
85.02949	0.8
88.23640	0.8
90.95878	0.6
93.37524	0.6
95.01392	0.8
97.02959	2.3
101.02412	0.9
107.01375	2.0
110.00100	3.2
113.02454	1.4
121.02983	0.8
123.00905	4.4
123.06306	0.7
124.00755	0.9
124.01676	18.4
125.02459	73.7
126.02791	1.3
137.02400	0.9
137.99602	3.1
139.00383	1.3
149.02339	0.7
149.99596	30.3
151.00301	2.4
152.01173	0.6
153.01950	38.3
154.02649	1.5
167.03502	4.2
168.00655	69.0
168.04286	19.8
169.01434	19.1
169.05032	3.6
195.20279	0.7
211.02541	4.0
241.03569	3.3
271.04572	2.9
301.05713	0.9
313.05606	7.9
331.06717	100.0
332.07053	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	331.0825
Annotation	Sulochrin
Peak:m/z	Relative Intensity
54.58679	0.5
57.14842	0.5
65.03954	0.6
69.02429	1.1
69.02830	4.3
76.98023	0.6
87.10836	0.6
95.01381	1.8
105.13205	0.6
107.01370	0.5
107.05005	2.5
108.02180	100.0
109.02454	1.4
119.05043	4.4
121.02991	0.7
123.00883	0.9
123.04533	50.1
124.01652	1.8
124.04889	0.5
125.02447	1.9
133.21439	0.5
134.03751	1.1
135.04536	41.5
136.04878	1.0
148.01685	3.6
163.04022	59.6
164.04355	2.2
168.00636	1.2
179.03508	1.2
207.03001	90.1
208.03307	3.8
229.04944	0.6
298.04901	1.0
331.08264	44.4
332.08536	3.0
333.29193	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0824
Annotation	Dalparvin C
Peak:m/z	Relative Intensity
53.85118	0.7
57.03470	1.0
59.01379	2.1
65.87932	0.8
66.98769	1.0
71.28260	1.3
75.48897	0.8
79.01899	26.7
100.83079	0.9
103.01916	0.9
105.03469	6.6
105.85974	0.8
108.02203	2.7
111.04527	19.8
125.02435	1.0
135.04541	9.8
136.01698	8.2
136.04916	2.4
136.88538	0.9
137.02397	1.1
137.05000	1.0
141.09294	1.0
151.03929	0.9
151.07692	1.2
157.08707	2.8
161.02505	1.4
164.01169	29.5
179.03511	100.0
180.03957	4.0
187.09781	1.1
193.05067	0.9
194.05666	1.4
197.04539	1.3
219.73413	0.9
238.00395	1.0
242.63722	0.9
313.14322	1.3
313.23737	1.3
331.07962	1.4
331.11710	3.9
331.15710	3.6
331.18835	3.1
331.24924	22.5
331.67413	1.6
332.25311	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0826
Annotation	Drimiopsin B
Peak:m/z	Relative Intensity
59.01387	1.3
69.21977	2.5
69.22385	0.9
107.01397	0.6
108.02206	0.8
109.02930	0.8
112.98748	0.5
120.99640	1.9
123.00917	0.8
125.02415	1.0
137.02458	0.9
139.00433	0.5
150.03180	0.6
157.06566	1.0
159.04532	0.6
163.03976	0.8
165.01950	0.5
169.01454	1.9
173.06078	1.1
175.04018	0.6
178.06351	0.7
185.06049	5.3
187.04039	1.0
191.03542	0.8
199.07742	0.6
200.04811	1.2
201.05591	15.2
202.06093	1.2
203.03532	1.2
204.07935	1.1
205.05075	2.6
206.05815	0.5
209.12033	0.7
210.05254	0.8
211.02324	0.9
212.04778	0.6
213.05600	1.6
214.02722	2.3
215.00107	0.5
215.03540	3.4
215.07109	1.0
217.05121	2.0
220.07472	1.5
225.05536	2.0
227.03540	1.6
227.05969	0.5
228.04282	1.5
229.05066	21.5
230.05484	1.1
231.06583	1.8
232.07440	0.6
233.04565	1.7
235.06041	0.7
240.04266	2.1
243.03073	0.5
243.06581	4.6
243.10606	1.2
245.04553	8.1
255.06688	4.1
256.03781	5.9
257.04562	16.2
258.04855	2.6
259.06110	1.1
261.04044	16.9
262.04462	1.4
269.08084	0.6
271.06213	15.0
271.08795	1.3
272.06851	9.8
272.99478	0.8
273.04102	6.6
273.06949	1.3
275.02551	1.2
275.05627	18.8
276.05920	0.7
283.06204	1.0
287.05750	1.2
287.09344	1.9
288.06158	0.9
289.03500	4.5
300.98990	0.7
313.07114	0.7
315.98590	1.9
316.01859	1.0
316.05743	3.6
329.32617	0.6
331.08255	100.0
332.08560	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1036
Annotation	Leonuriside A
Peak:m/z	Relative Intensity
57.07720	0.4
59.01373	0.8
59.42783	0.4
69.03447	0.6
69.61800	0.5
70.40411	0.4
70.91415	0.8
71.01381	3.1
72.99308	0.4
73.02949	0.8
81.03455	0.5
82.00607	0.6
83.01392	0.8
85.02944	2.3
89.02479	0.7
95.01387	0.8
97.02949	0.7
99.00914	0.7
99.79589	0.4
101.02451	1.1
110.00098	7.6
111.00818	0.6
113.02468	2.3
123.00883	1.5
124.01673	5.1
125.02460	30.3
126.02768	0.9
136.01744	0.4
137.99602	9.5
138.03185	0.5
139.00397	3.6
149.99599	5.4
151.00235	0.9
151.04103	0.4
152.01186	1.7
153.01947	100.0
154.02621	4.7
155.03496	0.8
161.04578	0.8
166.02710	0.8
167.03500	8.8
168.00659	14.2
168.04288	55.7
169.01440	18.6
169.05072	11.5
170.01802	1.0
171.15344	0.4
179.03484	0.7
191.03537	0.7
196.03830	0.7
209.04544	0.6
211.02473	2.9
211.06206	0.5
213.24246	0.4
241.03510	2.0
271.04654	4.0
313.05722	1.6
315.94495	0.4
331.06757	22.8
331.10403	2.8
332.07062	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12848	0.4
51.69444	0.4
56.76689	0.4
59.01398	0.7
59.09219	0.4
59.18835	0.4
59.97321	0.4
70.53836	0.7
71.01378	1.8
85.02953	2.4
101.02468	1.1
105.41306	0.4
110.00110	8.1
113.02450	2.7
123.00895	1.2
124.01673	0.8
125.02465	7.7
137.02429	0.9
137.99591	9.8
139.00391	3.1
140.01178	1.2
151.00371	0.7
152.01167	4.1
153.01950	100.0
154.02667	4.5
155.03522	1.5
161.04617	0.8
166.02765	1.4
167.03496	10.2
168.00656	1.2
168.04291	55.9
169.01424	1.8
169.05066	7.6
181.04996	0.5
191.03493	0.8
194.02231	0.7
196.03812	0.6
211.02568	1.5
211.06078	0.9
271.04642	1.9
331.06808	1.6
331.10468	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	331.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99821	0.2
69.03445	0.3
69.31007	1.0
78.78208	0.2
78.78622	0.2
79.01928	0.2
81.03461	0.5
82.86330	0.2
95.01389	0.8
97.02957	0.3
98.22496	0.3
100.92358	0.2
107.01432	0.2
108.02180	4.4
109.02987	0.9
112.12233	0.1
115.83654	0.2
118.28270	0.2
119.01344	0.2
123.00923	0.2
123.04512	0.2
125.09772	0.3
136.01674	40.8
137.02455	100.0
138.02771	2.8
138.07600	0.2
139.04028	0.3
149.06120	0.3
159.10190	0.2
165.05699	0.2
166.02727	0.3
175.05997	0.2
192.90923	0.2
207.02821	0.2
213.05501	0.3
217.05164	0.2
227.07132	0.4
255.06593	0.4
257.44229	0.2
285.11197	0.2
287.09320	0.4
331.04831	0.4
331.08261	1.0
331.11911	1.8
331.18008	0.2
331.21500	0.4
331.25143	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57914	1.1
56.15683	0.9
58.77174	0.9
58.99596	1.9
60.33349	0.9
69.01466	7.6
69.47343	1.0
70.44898	1.0
87.00883	32.8
98.21820	2.5
102.98605	6.8
120.98792	2.6
120.99667	51.3
125.02518	1.2
136.01640	1.2
137.86835	1.0
147.11806	3.9
151.04059	0.9
158.95796	1.0
165.09216	2.0
165.12856	2.1
207.10225	4.8
209.11845	15.5
243.08250	2.2
243.10623	31.2
244.10989	1.3
245.00133	1.1
263.99609	1.0
271.02457	1.3
272.99240	1.2
285.07712	2.0
287.01791	1.3
300.10162	1.6
313.17264	1.0
316.02142	2.5
331.04272	3.2
331.12222	100.0
332.12430	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	331.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16660	0.9
55.01869	2.4
57.03437	1.8
58.63659	1.1
58.99579	1.8
59.01383	18.5
68.99802	1.1
71.01382	25.0
71.28617	1.7
72.99297	1.9
73.02957	5.8
79.05492	1.0
81.03450	1.4
83.01392	3.3
83.05008	2.3
85.02952	10.6
87.00888	31.8
89.02460	10.5
89.59161	1.0
95.01407	1.8
97.06602	1.7
99.00871	2.6
101.02452	16.2
101.45168	0.9
102.98600	9.6
108.02180	2.0
113.02453	10.7
115.78997	1.1
116.92834	1.6
119.03489	2.9
120.99669	77.6
123.04529	2.4
125.02425	4.4
125.09726	1.6
135.04507	1.3
136.01595	2.0
137.02438	2.3
141.05629	1.2
147.11823	9.8
151.04012	2.1
159.03006	1.3
159.06708	1.7
161.04570	7.9
163.11308	1.5
165.12886	2.7
169.01407	4.0
179.07053	1.7
193.01476	1.6
207.03011	2.0
209.11858	37.0
211.02440	3.6
225.09447	1.7
243.10608	49.9
244.10860	1.9
271.04535	4.1
285.07767	1.3
287.12808	2.5
298.05789	1.3
330.72934	1.2
331.08429	4.9
331.12158	100.0
332.12476	8.3
344.77322	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.6
57.03440	3.2
58.00597	4.1
59.01382	100.0
60.49508	0.8
69.03438	1.3
69.43298	5.0
71.01388	73.7
72.01731	1.3
72.99288	5.0
73.02956	8.5
83.01402	6.1
85.02957	21.9
85.22664	0.9
87.00886	2.8
89.02452	73.0
90.02835	0.8
95.01387	6.1
97.02945	1.2
97.06574	1.3
98.22431	1.6
99.00889	3.9
101.02451	43.2
108.02193	2.3
113.02461	29.5
115.14773	0.8
119.03505	26.3
123.50481	0.9
131.03482	2.4
143.03523	2.7
149.04561	1.2
159.02957	1.5
161.02444	1.1
161.04594	7.6
169.12311	1.1
177.01884	1.2
179.05588	4.2
189.01924	3.2
268.12958	0.9
271.04489	1.4
301.07272	1.6
331.08148	1.7
331.17712	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	7.7
57.03465	6.7
58.00589	3.6
59.01384	82.8
60.01702	1.0
69.03462	0.8
69.07242	4.5
69.07647	2.3
71.01387	100.0
72.01703	1.4
72.99317	3.4
73.02953	30.1
75.00888	1.5
81.03458	1.4
83.01390	14.2
85.02956	41.7
87.00887	4.4
87.31769	0.9
89.02453	41.7
95.01383	6.9
97.02947	2.3
99.00887	11.3
101.02450	79.1
113.02460	41.5
119.03506	13.2
125.02489	2.3
129.02000	1.0
131.03485	1.7
143.03485	5.5
159.03023	8.9
161.04567	40.7
162.04985	1.6
175.94810	1.1
179.05630	3.3
205.03372	1.1
256.97397	1.7
271.99765	1.5
287.01727	1.1
287.09933	1.0
315.89661	0.9
331.01047	4.1
331.07889	1.3
331.17679	16.0
331.21176	0.9
332.17755	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	331.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39730	0.4
55.88124	0.3
59.01384	0.9
59.50402	0.3
63.52747	0.3
65.00324	0.7
71.28111	0.4
75.06847	0.4
81.03456	6.4
83.01391	0.6
85.06596	0.9
87.04511	0.6
109.06589	3.4
111.04524	5.8
115.93082	0.3
124.01674	7.0
125.02471	3.8
127.07651	0.9
133.06590	1.4
136.05299	1.4
146.28371	0.4
151.00395	0.9
151.07658	45.3
152.01161	20.1
152.02403	0.9
152.07962	1.8
152.53618	0.4
153.01546	0.4
166.06287	0.6
177.05621	2.1
193.05127	0.8
194.05850	11.7
195.06631	100.0
196.06963	4.9
219.13853	0.7
287.20062	0.8
291.18640	0.4
331.19144	27.8
332.19553	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	331.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.7
59.01372	0.5
63.74662	0.3
65.00309	1.2
69.39629	2.2
72.35081	0.4
79.05531	1.9
81.03454	2.9
85.06590	1.8
87.04514	0.9
95.01379	0.7
105.07069	0.5
107.05044	1.3
107.89458	0.3
109.06596	4.6
111.04526	7.1
123.00868	0.4
124.01672	2.3
131.05080	0.5
136.05316	0.5
137.02550	0.4
147.08173	1.2
149.06079	0.4
151.00368	1.4
151.07655	9.4
152.01173	2.3
153.05537	0.4
175.11266	0.9
175.15056	0.3
177.09247	0.5
177.12836	1.2
179.03436	0.5
186.00249	0.3
187.56648	0.3
190.78406	0.3
191.10791	0.6
193.05006	0.4
194.05794	2.0
195.06577	0.7
201.12846	2.3
207.06764	0.4
208.07339	0.5
215.10829	0.6
217.12337	5.1
217.15993	1.1
219.06575	0.9
219.13945	1.7
233.08208	0.4
235.09720	0.9
243.10167	0.5
243.13890	0.6
245.08224	0.7
245.15604	0.6
245.19139	0.6
246.19475	0.4
261.11325	6.9
261.14908	1.5
262.11411	0.4
263.12915	1.0
269.19244	0.5
273.11163	0.5
274.51389	0.3
285.18579	0.8
287.13138	0.5
287.20181	16.8
288.20593	1.4
289.14520	2.2
295.62082	0.4
313.18030	0.9
316.07599	0.4
331.19165	100.0
332.19495	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	331.2128
Annotation	oscr#18
Peak:m/z	Relative Intensity
54.19191	0.4
54.67041	0.5
57.03447	2.9
58.00607	0.7
59.01380	8.8
69.03477	0.6
69.71767	1.8
71.04980	0.6
71.33604	0.5
83.05029	1.5
85.02972	0.6
90.89169	0.5
95.05032	4.5
96.11577	0.5
97.06592	19.0
98.22462	0.5
108.02184	2.0
111.08169	5.5
113.09721	1.5
123.04551	1.0
123.08167	1.2
125.06052	1.1
125.09723	5.4
127.07684	0.8
127.11270	3.4
128.49420	0.6
137.02457	0.8
139.11293	2.2
141.09213	5.9
143.07155	9.0
145.08714	2.3
151.03946	0.9
151.93925	0.5
155.10789	1.7
157.08687	2.2
157.12335	0.9
159.06567	0.6
159.10258	1.3
163.03976	1.0
163.14961	0.5
169.12302	0.7
171.10265	1.9
181.05089	0.6
183.10278	0.8
201.11272	1.1
207.02995	1.5
233.19125	9.7
234.19431	0.7
249.18524	0.7
250.32617	0.6
251.16600	0.7
251.17686	0.7
251.20171	5.5
254.48419	0.5
255.06670	1.4
259.16953	1.2
269.17566	1.8
269.20972	1.0
271.15479	6.6
272.15775	0.7
277.18100	6.8
295.19162	13.5
296.19522	1.4
313.13608	0.8
313.16583	3.6
313.20227	17.0
313.23853	2.6
314.20648	1.2
329.23346	1.5
331.08105	1.4
331.17569	17.8
331.21249	100.0
331.24918	24.0
332.17923	1.3
332.21570	6.8
332.25223	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.2
58.00582	0.6
62.47460	0.2
63.67037	0.2
69.71458	0.8
84.80866	0.2
97.06606	0.2
100.87753	0.2
125.09743	1.6
127.11299	6.5
128.11659	0.2
139.11334	0.3
141.12819	0.3
143.10808	1.2
155.10773	2.2
157.12343	4.1
158.12718	0.3
165.09309	0.3
171.10280	3.1
179.36911	0.2
185.11920	0.3
187.13437	1.2
201.11319	1.6
202.11777	0.2
253.38132	0.2
254.76880	0.2
255.23177	0.2
262.53909	0.2
283.22531	0.3
285.24295	0.4
295.22836	1.6
311.22296	0.8
313.23862	8.7
314.24185	0.6
329.23340	4.3
330.23657	0.4
331.24908	100.0
332.25256	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	331.2492
Annotation	9,10,18-Trihydroxyoctadecanoic acid
Peak:m/z	Relative Intensity
54.15961	0.2
57.03445	0.9
58.00592	1.0
58.21838	0.2
59.01385	5.9
60.55496	0.2
63.15653	0.2
66.32520	0.2
69.03468	0.5
70.61913	0.4
83.05036	1.1
93.03474	0.2
95.05038	3.7
96.96012	0.6
97.06600	12.2
98.06913	0.3
98.22536	0.3
99.08156	0.5
107.92395	0.2
108.02186	1.0
109.02977	1.5
111.08176	4.0
117.07565	0.3
123.00907	0.4
123.04533	1.1
123.08177	0.5
124.01649	0.5
125.02421	0.3
125.06111	0.7
125.09735	2.4
127.07645	0.9
127.11309	7.0
137.09676	0.4
139.03998	0.3
139.11295	0.8
141.05556	0.5
141.09219	3.2
141.12868	0.3
143.07144	5.7
143.10768	1.2
145.08713	1.4
151.00415	0.4
151.03999	0.7
152.01186	3.0
153.01831	0.4
153.09181	0.3
155.10815	3.0
157.08681	0.8
157.12337	4.6
159.06657	0.8
159.10272	0.8
165.01988	0.4
167.03497	0.7
169.01404	0.5
171.10284	3.3
173.08170	0.7
179.03438	0.3
183.10242	0.3
185.11797	0.6
187.13440	1.2
189.11308	0.4
201.11351	1.5
207.02988	0.6
233.19177	1.9
250.65823	0.2
251.16556	0.8
251.20250	1.2
269.17557	1.7
269.20712	0.4
271.15533	4.4
271.99146	0.4
272.16046	0.4
272.99356	1.6
277.18152	1.6
287.01001	0.4
287.09171	0.8
287.13037	0.2
287.22409	0.2
295.19159	2.9
295.22803	1.9
299.98923	0.3
300.98825	1.9
311.22241	0.9
313.16556	2.1
313.20206	3.6
313.23877	8.7
314.16678	0.3
314.24121	0.5
315.00510	1.3
315.07883	0.4
316.01285	1.6
316.08401	0.7
329.23367	4.4
330.23883	0.4
331.03580	2.6
331.08145	1.4
331.17624	11.1
331.21277	18.3
331.24896	100.0
332.03647	0.4
332.08603	0.4
332.17838	0.9
332.21588	1.7
332.25259	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.9964
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	34.9
60.01701	1.0
61.98835	100.0
69.44938	1.6
69.45329	1.4
79.39788	0.5
130.94406	1.1
159.01521	7.6
159.65710	0.6
160.01631	9.0
161.01213	11.2
161.98920	3.8
162.01704	2.6
165.95837	0.8
187.00983	4.2
188.01086	16.8
189.00696	20.1
189.98508	37.1
190.00351	6.9
190.01363	2.1
190.96532	1.1
190.98465	1.5
201.02570	11.0
202.02835	2.4
203.02422	2.1
204.00008	8.1
289.96005	1.2
330.25565	0.6
331.97385	0.7
332.02106	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.0777
Annotation	Fumimycin
Peak:m/z	Relative Intensity
59.01369	0.7
64.01926	3.3
65.00319	1.4
65.99847	6.4
67.01891	0.5
68.01407	0.7
68.99815	0.6
71.28125	0.8
74.68258	0.5
80.99837	0.5
81.03431	1.3
82.02988	1.4
89.55801	0.5
90.03489	5.5
106.02964	2.5
107.00109	0.8
108.00914	0.5
108.02164	1.1
109.02964	2.1
110.02486	1.8
111.00890	2.4
111.04529	1.6
120.00921	5.0
123.00880	1.3
123.04536	0.6
124.01724	0.6
124.03999	1.2
125.02465	0.7
133.01788	0.7
133.02838	0.7
134.02475	4.5
135.03238	1.5
135.04488	0.5
136.00404	4.3
136.01546	0.8
136.04008	0.5
137.02451	2.8
138.01933	1.4
139.33986	0.5
148.04076	0.6
150.01958	0.8
151.04022	0.9
152.03519	4.5
153.01958	1.5
161.02496	0.6
162.01979	14.3
163.02789	4.8
165.01964	3.5
166.02728	4.8
172.05278	0.7
175.04102	0.8
175.07594	0.6
180.03035	17.0
183.03146	0.5
189.05598	0.7
192.03033	1.5
193.08740	3.3
198.05707	0.8
200.04857	0.7
204.04314	0.6
208.04190	0.6
210.05595	0.5
211.06369	8.2
212.03526	1.3
213.04134	0.5
214.05084	0.6
216.04327	0.6
221.04575	1.0
226.05113	0.8
226.08698	4.2
228.06639	0.6
240.02942	0.7
241.05042	2.1
244.03766	0.5
245.08090	0.8
254.04672	0.9
255.02994	0.6
255.05405	2.9
256.02423	0.8
257.03369	0.7
261.14932	0.7
269.04431	2.1
270.04938	0.8
270.07654	4.2
272.03186	2.2
272.05823	0.7
283.04877	2.7
284.05399	0.6
285.02820	1.0
287.05673	4.3
287.12875	1.0
288.05515	0.7
289.10974	1.5
289.14224	0.7
296.14474	0.6
298.07166	1.8
300.05026	1.9
302.07922	1.5
314.06686	1.5
331.24893	1.6
332.07773	100.0
332.16055	2.0
332.25269	1.2
333.07761	6.3
333.13531	2.3
333.16992	1.2
333.20612	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0175
Annotation	Unknow
Peak:m/z	Relative Intensity
57.91964	0.7
64.55812	0.8
69.00566	5.4
105.65028	0.7
133.02975	1.9
137.02402	1.1
161.02551	1.0
209.02437	1.5
217.00725	1.5
220.59569	0.8
225.72110	0.8
238.02733	2.7
239.03468	2.8
245.00061	1.2
246.00931	1.1
272.99612	2.4
274.00400	6.8
275.01096	1.2
288.19635	2.0
289.20093	2.0
300.99173	11.1
317.74112	0.8
333.01752	100.0
333.17133	2.8
333.20761	1.4
334.02084	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	333.0255
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96547	0.8
57.03448	7.3
59.01387	1.4
61.16544	0.7
63.02401	5.2
64.74320	0.7
65.00330	9.9
67.01876	3.2
69.12286	1.4
69.12690	5.5
71.01385	1.2
72.89661	0.8
81.03431	1.1
83.01387	10.5
89.03995	0.8
93.03481	6.1
95.01387	3.4
98.22613	0.9
101.91388	0.8
104.11043	0.7
105.03487	1.1
107.01390	7.5
107.05043	1.7
109.02972	9.1
112.39410	0.8
115.05564	1.3
117.03440	1.8
121.02966	3.5
122.03771	0.8
123.04521	1.6
124.01624	1.2
125.02458	27.6
126.02753	1.1
130.04219	1.2
131.05020	3.3
133.02945	2.6
135.04547	10.0
137.02464	10.9
143.05032	2.6
145.02917	1.2
145.06572	1.5
147.04544	2.5
149.02477	2.7
149.06078	2.0
151.00386	13.9
151.04048	2.2
152.01088	1.5
153.01901	1.4
155.05011	2.7
159.04523	6.4
161.02490	2.9
161.06184	1.0
163.00380	5.1
163.04007	1.4
164.01120	1.5
165.01944	5.1
165.05582	2.0
166.02585	0.9
171.04539	2.9
173.06097	3.1
175.04002	7.3
177.01965	5.8
177.05591	5.0
178.99899	2.5
179.03508	2.8
181.01448	3.0
183.04561	3.6
185.02344	1.2
187.04018	1.9
189.05574	3.3
191.03503	1.8
193.01495	0.8
196.06400	0.7
199.04042	5.0
201.01947	2.1
201.05595	2.4
203.03462	5.6
214.02699	2.0
215.03513	7.5
217.05013	5.2
227.03531	7.7
228.03940	1.0
229.01364	2.4
229.05074	1.2
230.02086	1.8
243.03033	5.4
245.04587	3.4
261.04153	1.6
271.02374	5.3
273.04037	2.0
289.03546	100.0
290.03955	7.6
301.03473	1.6
315.05188	3.5
333.02618	5.2
333.06378	1.8
333.19229	2.0
334.03232	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0254
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	18.7
59.01379	26.0
63.02411	8.7
65.00327	17.5
69.03454	10.3
71.01363	8.5
71.05780	9.5
81.03460	14.9
83.01406	18.7
85.02983	6.4
93.03459	29.7
105.03399	7.0
107.01409	20.6
109.02957	43.1
117.92372	6.7
120.99650	11.8
121.02913	9.3
123.00925	8.6
124.01659	20.4
125.02448	100.0
128.86053	7.2
133.02994	8.5
135.04509	8.3
137.02454	98.3
148.64926	6.5
149.02388	12.6
151.00356	53.4
151.03981	16.0
152.01144	27.9
153.01962	7.5
159.04523	11.2
163.00352	17.1
165.01923	28.5
165.05539	7.4
175.04095	14.2
177.01860	8.7
178.99867	35.2
179.03496	11.4
183.04750	10.7
187.03889	8.9
189.05594	10.4
193.05043	15.9
201.05627	11.8
203.03568	17.2
217.05023	41.1
221.04601	38.0
227.03497	16.6
233.33568	7.7
243.03043	9.3
245.04552	75.5
247.02515	61.5
261.04160	11.0
273.05017	6.5
289.03558	62.8
315.05286	34.9
333.02609	7.2
333.06180	20.8
333.15659	9.3
333.19070	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	333.0596
Annotation	GroPIns
Peak:m/z	Relative Intensity
53.77250	0.8
59.01379	1.6
70.38821	1.7
78.95911	100.0
95.73688	0.6
96.96972	17.2
152.99602	73.5
153.99925	0.9
171.00656	7.8
189.62253	0.7
209.20941	0.8
241.01195	36.3
242.01466	1.2
259.02332	2.0
309.42673	0.8
333.05945	78.9
334.06296	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	333.0591
Annotation	Unknow
Peak:m/z	Relative Intensity
63.55614	1.5
67.26778	1.4
70.49544	2.1
71.01369	3.7
72.99353	1.6
74.88799	1.3
78.95911	100.0
83.52058	1.4
85.02942	1.8
87.00877	3.8
87.92542	3.8
96.96970	19.7
99.92603	2.0
100.92607	1.9
103.92034	4.6
104.92825	2.0
106.88557	1.2
111.00888	22.0
115.00374	13.2
115.92097	1.8
116.92100	2.6
123.94666	1.6
133.01457	3.7
150.98056	1.5
152.99605	76.7
159.01103	14.2
161.73970	1.4
171.00684	9.2
196.89500	1.5
212.17590	1.4
217.05159	1.5
217.16096	1.5
217.95108	3.5
225.51189	1.3
241.01199	37.4
333.02621	11.7
333.06009	84.3
334.06381	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0617
Annotation	Cedrin
Peak:m/z	Relative Intensity
57.03439	2.0
63.02389	1.3
65.00332	6.3
69.03448	1.5
71.28535	0.8
71.28922	1.0
81.03455	2.5
83.01382	7.7
93.03485	5.4
95.01388	3.1
95.05032	2.3
97.02959	12.0
106.40508	0.7
107.01392	3.5
108.02169	1.1
109.02955	22.3
111.00903	0.9
119.01473	1.5
121.02974	13.9
123.00884	3.6
123.04545	14.1
125.02460	14.2
133.02965	3.6
135.00885	6.1
135.04573	1.3
137.02448	12.2
138.03217	1.2
139.04002	3.7
145.02985	2.3
149.02455	10.7
149.06056	0.8
150.03189	1.5
151.00386	9.3
151.04016	12.2
153.01906	1.1
159.04552	3.6
161.02423	3.7
161.06108	2.5
162.03253	2.0
163.00385	62.1
163.04033	1.5
164.01019	3.5
165.01942	32.3
166.02304	1.1
169.01433	1.3
173.06029	1.6
174.03244	0.9
175.03979	1.4
175.07635	1.2
177.01936	13.1
177.05560	1.5
179.03477	1.3
181.01424	14.2
185.06013	2.0
187.04015	5.1
188.04762	1.1
189.01984	2.0
189.99059	2.5
190.02730	1.1
191.03391	0.9
192.00650	1.1
193.01453	2.8
201.05557	2.5
203.03535	1.4
203.07137	4.7
205.01463	5.7
205.05099	7.1
206.02145	1.0
211.04008	1.0
221.08063	1.0
225.05598	1.1
228.04289	1.1
229.05048	17.1
230.05450	1.3
231.02966	7.6
232.03419	1.0
245.04648	1.5
245.08192	2.5
247.06168	7.7
271.06079	7.2
273.04071	4.2
275.02005	0.9
289.03781	1.7
289.07129	18.2
289.12051	1.3
297.04025	2.6
301.03476	0.9
315.05112	100.0
316.05447	5.7
333.06192	78.1
333.14966	1.2
333.19226	1.7
334.06436	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	333.0983
Annotation	CHEBI:90278
Peak:m/z	Relative Intensity
55.01883	0.9
55.80656	0.9
66.02752	0.8
69.03456	0.8
71.28211	1.4
79.01913	1.5
79.68423	0.8
87.04493	1.0
93.03481	1.4
95.05029	3.0
97.02977	2.6
105.07133	0.8
109.03012	0.9
111.04537	13.9
121.02970	2.1
121.06623	1.1
123.04550	1.5
123.08150	6.7
133.06596	2.9
135.04509	0.9
137.02467	1.7
139.04019	2.8
147.08165	0.9
149.06142	1.4
157.06580	1.1
159.04536	1.1
161.02393	0.9
162.06801	0.8
163.07640	1.6
165.01944	2.3
165.09274	1.6
166.04855	0.9
173.06070	2.9
175.03996	4.3
175.07625	2.7
177.01965	1.8
177.05563	6.6
178.02704	1.5
179.03552	1.8
179.07184	1.1
180.04280	7.1
187.00189	0.9
189.05612	2.4
191.07185	3.2
193.08705	2.3
201.05530	1.5
203.03531	2.8
203.06990	0.8
204.04243	1.5
205.04922	2.2
209.08086	4.1
215.06900	0.9
217.05028	1.9
217.12274	1.2
218.05789	3.7
219.06685	8.1
221.04607	8.8
221.08192	2.6
230.09624	1.3
231.03043	1.8
231.06528	1.4
233.04619	1.1
233.08284	4.1
233.11894	3.4
235.06155	4.2
243.10312	3.5
245.04633	3.1
245.11874	4.3
246.05319	6.8
247.09729	1.6
248.06943	9.9
249.07523	1.3
256.07401	1.2
259.06082	1.3
261.07504	1.1
261.11334	6.1
264.04919	1.0
271.09824	7.2
271.13538	0.8
274.08426	2.9
287.09372	1.3
289.10840	100.0
290.11157	7.1
315.08826	4.3
333.09796	18.1
333.13425	5.8
333.17120	13.0
333.20700	3.6
334.10275	1.4
334.17505	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1343
Annotation	CGS 12066B
Peak:m/z	Relative Intensity
53.50247	0.7
55.01874	0.8
55.26810	0.8
60.51207	0.8
60.65872	0.8
71.28472	1.0
79.01911	1.7
111.00953	1.4
111.04517	4.1
123.08151	4.9
125.02454	8.8
136.05276	0.9
151.00401	2.5
151.07658	2.5
152.04872	1.4
153.01918	2.6
164.04839	0.9
177.05576	15.2
179.07147	4.2
180.04294	2.1
195.06638	100.0
196.06937	3.8
207.06615	4.3
209.08261	1.6
219.06566	0.9
223.06126	74.8
224.06796	10.4
225.07736	4.7
231.10091	0.8
247.06203	1.5
248.07144	1.0
262.08426	2.2
275.09241	2.6
276.09927	1.5
289.14523	3.0
290.69882	0.9
332.67944	1.2
333.13477	96.1
333.17133	11.9
334.13837	8.2
334.17285	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1347
Annotation	(-)-Tetrodecamycin
Peak:m/z	Relative Intensity
67.94414	0.6
70.92786	1.0
77.49573	0.8
80.04393	0.6
87.04531	0.6
97.02971	1.0
111.04534	3.0
123.08209	1.4
141.92914	0.5
150.65540	0.5
175.04037	1.4
176.04788	2.4
177.09195	0.5
183.85454	0.5
191.03499	0.6
191.10786	1.2
201.09268	0.9
201.16521	0.9
203.03487	1.6
203.07143	1.1
204.04265	2.4
218.09433	1.9
219.10321	3.0
221.08170	0.7
229.08812	0.7
231.10228	1.0
233.08269	0.6
236.96414	0.5
243.06569	0.7
245.08206	1.8
245.15416	2.6
245.87646	0.5
246.08981	2.4
247.09744	3.8
248.06836	1.0
261.07602	2.0
261.14969	12.0
262.08533	0.7
262.15314	0.9
271.13535	2.5
273.11469	1.1
274.12100	1.2
278.08041	1.2
289.14481	100.0
290.14825	9.1
333.13458	53.2
333.16742	1.7
334.13745	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.7
57.03449	1.2
59.01380	11.8
68.99834	0.7
69.03452	1.7
69.28989	3.2
71.01389	13.6
72.99335	0.5
73.02965	2.5
83.01381	1.2
83.05014	0.5
85.02956	3.4
87.00882	0.6
89.02450	6.0
89.27757	0.5
95.01409	0.7
99.00883	7.7
101.02462	7.5
102.53108	0.5
111.04496	1.5
113.02450	3.4
113.09741	5.1
115.07655	2.0
119.03467	2.5
121.25412	0.5
123.04533	0.6
125.02426	1.0
125.09727	1.7
136.01703	0.8
141.09232	0.7
142.88643	0.5
147.03003	13.2
151.04005	0.9
153.01810	0.6
153.09232	1.4
155.10791	5.3
157.08705	0.5
159.03014	0.8
160.37743	0.5
161.04561	1.9
169.01442	0.6
171.10281	1.4
181.08733	0.6
185.11841	100.0
186.12184	4.9
191.03516	0.8
199.09711	0.8
206.05780	1.4
217.10880	1.7
221.08139	2.8
238.04860	1.2
244.10287	0.5
245.08127	0.9
270.05292	0.6
273.13544	1.2
277.14444	0.8
285.07651	1.1
286.98663	0.6
289.10956	0.6
291.14432	3.7
314.97906	1.8
325.07416	0.6
333.09576	1.2
333.15509	8.3
333.19388	2.3
334.16046	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1709
Annotation	[4S-(4alpha,4aalpha,5beta,8aalpha)]-4,4a,5,6,7,8,8a,9-Octahydro-5-hydroxy-3,4a,5-trimethyl-9-oxonaphtho[2,3-b]furan-4-yl ester 2-methyl-propanoic acid
Peak:m/z	Relative Intensity
53.77884	1.2
63.29290	1.2
71.28249	2.0
79.01892	1.3
81.03476	1.7
94.46343	1.0
111.08120	1.3
125.06082	8.6
134.69591	1.2
135.08179	7.7
137.06097	3.7
137.09711	3.5
151.07655	2.3
161.06154	2.1
163.04031	2.9
174.06894	1.2
177.05527	2.1
179.07170	18.8
189.01883	1.4
191.03539	7.1
205.05156	5.5
205.08720	1.6
217.12381	3.6
219.10254	2.7
219.13933	14.6
233.08205	7.9
245.11827	2.7
247.09767	28.8
248.09923	1.5
255.88939	1.3
261.11243	1.7
262.12119	5.1
263.12894	100.0
264.13153	6.4
289.18164	1.7
294.04108	1.1
302.64560	1.0
333.17078	77.0
334.17487	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	333.2047
Annotation	PGB2
Peak:m/z	Relative Intensity
50.17565	0.3
57.30567	0.3
59.01385	0.3
60.90950	0.3
61.70467	0.3
77.68244	0.4
79.06011	0.3
91.05534	0.4
126.88892	0.3
127.07670	0.6
140.90517	0.3
181.12305	0.4
195.13925	0.4
203.10521	0.5
209.07822	0.4
209.11618	0.5
215.17981	0.6
221.11548	0.5
223.13190	1.5
233.07924	0.7
237.11090	0.5
243.13643	0.4
249.11203	0.4
257.15433	0.4
263.20157	0.4
265.21701	11.3
266.22040	0.6
267.12073	1.0
283.16843	1.6
285.18356	5.1
286.18762	0.4
287.19995	1.2
291.15762	0.7
299.16226	0.4
305.21057	0.7
315.19363	1.1
317.17343	4.0
319.18851	3.5
333.20474	100.0
334.17111	0.6
334.20877	7.4
349.19907	0.8
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	13,14-dihydro-15-keto-PGA2
Peak:m/z	Relative Intensity
55.01867	0.6
59.01379	0.4
69.41376	1.8
81.03423	0.3
109.02954	3.6
118.03284	0.3
125.02453	3.0
137.02478	3.4
138.03235	6.6
139.04062	0.5
142.02737	1.8
151.04022	1.4
152.04781	0.5
165.01930	1.4
165.05545	0.6
166.02695	2.3
167.03441	0.5
179.03506	10.6
180.04326	2.6
191.07242	0.3
193.05069	4.4
198.01730	3.0
207.06599	0.3
208.07283	0.3
221.08176	0.5
235.09790	0.7
236.10565	0.9
305.21213	5.8
306.21445	0.8
333.20724	100.0
334.21060	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	334.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.58894	11.7
69.39022	48.4
69.39433	29.6
71.01396	79.4
73.02919	21.0
85.02953	36.0
89.02444	54.1
100.72422	14.8
101.02470	53.3
112.04051	29.7
113.02446	42.2
119.03487	17.3
120.99646	83.4
125.08155	13.5
133.98587	13.4
161.04590	38.4
224.00403	14.1
287.47647	13.6
335.13736	23.4
335.17203	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	335.0332
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03753	2.8
63.21120	3.2
69.12899	24.2
79.05526	7.4
81.03456	7.8
94.72620	2.8
96.13769	3.3
101.18574	2.9
105.03473	39.1
123.04531	86.1
149.02444	56.8
185.00117	97.3
194.98497	6.4
259.01733	28.1
299.05640	5.5
299.18509	3.6
302.97159	5.0
303.00656	100.0
304.00995	6.7
317.02289	3.9
335.03326	31.4
335.14920	5.1
335.18643	7.1
335.22369	9.0
335.25961	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	335.0411
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26934	0.3
65.00323	0.2
69.13554	1.8
69.42416	0.3
71.01382	0.5
72.99294	0.3
76.68066	0.4
79.95747	0.4
82.91139	0.3
83.01383	0.3
94.43752	0.2
96.96018	23.3
111.00892	2.3
123.00899	0.3
124.01649	1.4
127.00381	0.9
136.98865	1.2
139.00389	2.7
139.04132	0.3
140.01167	3.8
147.62180	0.3
151.00365	0.3
154.99911	0.4
168.00652	5.7
183.03000	100.0
184.03333	3.5
185.07767	0.3
242.56412	0.4
335.04333	0.7
335.11713	3.8
336.12061	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0411
Annotation	Dantrolene sodium anhydrous
Peak:m/z	Relative Intensity
57.77151	1.0
58.44497	0.7
67.05020	0.8
67.86952	1.0
71.37782	1.4
79.83241	0.8
93.03480	1.5
99.46459	0.8
112.84512	0.8
130.78766	0.9
131.01375	1.4
132.02194	1.2
133.02937	1.1
135.04556	7.6
143.01396	2.4
147.04617	1.2
148.01669	1.8
159.00865	3.9
160.01596	1.5
161.02499	4.5
163.03958	1.2
171.00887	6.9
173.02412	1.2
175.04103	1.2
176.01158	3.3
179.03497	6.3
187.00330	5.5
187.03976	3.1
188.01184	3.6
189.01984	1.9
190.02725	0.9
190.99876	2.8
191.03499	1.0
199.00397	1.1
203.03506	3.2
204.00581	1.5
205.01462	1.0
214.99899	8.4
216.00653	11.8
217.01401	2.6
219.02959	2.5
229.01498	1.1
231.03036	1.6
232.00101	2.5
233.00917	2.6
233.97995	4.5
242.99382	16.0
243.40878	1.0
244.00143	6.5
245.00755	1.8
247.02512	3.0
248.03209	1.9
259.99652	11.3
261.00418	5.9
270.98868	14.3
271.99573	2.6
275.01978	18.4
276.02545	2.0
287.12659	0.9
303.01462	14.3
304.02271	2.5
307.04633	5.0
335.04120	100.0
336.04431	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20172	0.7
50.70787	0.8
57.03178	1.3
57.03445	16.9
57.39710	0.7
57.53949	0.8
75.37253	0.8
81.03442	1.7
83.01379	2.3
83.02146	0.7
93.03495	3.6
95.76930	0.9
97.03001	1.0
105.03457	1.4
109.02964	10.9
121.02970	6.7
125.02454	100.0
126.02805	3.0
133.02956	0.9
135.04572	1.3
136.29378	0.9
137.02455	24.9
138.02855	0.7
149.02472	6.8
151.04019	2.8
155.03488	1.9
164.01169	2.0
165.01932	13.2
166.02232	0.8
175.03957	1.0
177.01939	80.6
178.02330	3.3
179.03448	0.9
181.01468	1.4
183.46007	0.7
189.05701	1.5
217.05034	2.0
229.24913	0.9
235.06093	2.2
259.06097	3.0
260.63748	0.9
285.03946	1.6
303.05087	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20869	0.4
65.03976	0.6
69.44609	0.4
69.51923	0.4
69.61465	1.3
69.61874	0.7
73.02932	1.4
76.32240	0.4
77.54452	0.3
80.16351	0.4
81.03463	1.3
83.01387	0.5
83.05046	2.1
86.31433	0.4
90.73544	0.4
92.01922	0.4
93.03468	13.1
98.21823	0.6
99.00874	0.6
107.05045	1.4
109.02942	2.3
111.04546	3.4
117.03452	0.8
125.02462	0.8
132.02104	0.4
133.02972	7.4
134.03769	5.5
134.57890	0.4
135.04543	100.0
136.04845	4.2
137.02466	5.6
151.00398	1.1
153.01930	1.0
155.03529	2.0
161.02467	21.3
162.02791	1.0
163.00359	0.4
166.25671	0.4
167.03522	0.5
171.89894	0.4
173.04562	1.8
177.01857	0.7
179.03517	83.5
180.03850	3.1
181.01439	0.7
194.80995	0.4
219.24461	0.4
229.58914	0.4
239.93684	0.5
317.02792	1.0
335.07736	22.1
336.08041	1.7
350.70102	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	3.4
62.59666	0.5
71.28063	0.5
93.03450	0.9
95.46921	0.5
96.96025	6.6
107.05044	1.4
109.02981	1.2
109.06643	0.8
119.05021	1.5
120.99662	100.0
121.99998	1.2
123.04548	0.5
125.02455	0.9
130.59875	0.6
135.04514	1.4
137.06105	6.7
141.03799	1.4
167.84874	0.5
171.03484	0.9
171.04854	11.5
177.01932	0.6
181.05069	12.0
182.05458	1.1
203.07509	5.8
206.04248	0.6
216.00601	0.8
218.00046	0.4
247.06445	1.2
275.01962	0.5
292.05786	0.5
303.01443	0.6
309.41971	0.6
335.04446	3.9
335.07953	1.2
335.11438	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52406	2.0
57.03446	2.8
58.00582	3.8
59.01385	87.8
61.20978	2.0
69.33133	9.0
71.01387	50.6
72.99302	6.5
83.01395	4.6
85.02952	11.2
87.00890	1.9
89.02459	62.2
95.01391	2.5
98.22449	3.7
101.02458	41.8
108.96697	2.4
113.02464	20.3
118.20481	1.9
119.03506	35.1
120.99642	4.9
143.03505	2.6
155.07184	2.5
160.87053	2.3
173.08176	4.3
256.58984	2.0
310.63351	1.9
335.13492	100.0
336.13751	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	335.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
79.34364	2.0
84.76091	2.4
88.01286	2.5
104.86784	2.2
105.03469	4.3
132.02191	10.3
133.02969	27.3
134.03761	28.7
135.04553	12.9
137.02408	12.2
139.04027	3.6
148.05316	22.2
149.26518	2.3
159.04529	2.7
159.10211	16.7
160.01665	51.1
161.02483	18.3
161.06071	8.1
175.04007	100.0
176.04320	4.6
178.02742	5.6
179.03461	4.4
193.04959	11.5
204.11601	3.2
212.66951	2.3
233.08139	10.7
247.09735	5.0
265.04825	3.4
269.60260	2.4
301.97092	2.5
303.12323	14.5
335.15009	99.5
335.22275	11.7
336.15375	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	335.1504
Annotation	8'-Hydroxyzearalanone
Peak:m/z	Relative Intensity
64.45831	2.2
69.20280	17.9
71.14870	2.3
83.59036	2.0
94.73132	2.1
98.22652	4.0
105.03449	2.9
105.64336	3.0
110.30244	2.6
125.47355	2.1
132.02187	11.0
133.02960	28.0
134.03752	33.1
135.04546	14.9
137.02449	11.5
139.03998	4.6
148.05322	18.6
159.04521	2.8
159.10307	15.1
160.01669	46.8
161.02477	22.6
161.06091	8.4
162.30313	2.1
175.04007	98.9
176.04321	5.4
178.02744	5.4
179.03471	7.1
193.05051	10.2
215.13872	2.4
233.08131	11.5
247.09740	4.2
247.65932	2.1
303.12381	15.3
309.52588	2.2
335.15015	100.0
335.18381	3.9
335.22296	7.9
336.15253	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	335.2227
Annotation	11-deoxy-PGE2
Peak:m/z	Relative Intensity
56.76237	0.1
59.01389	0.3
71.29501	0.2
71.29915	0.2
86.74994	0.2
96.95993	0.2
111.66713	0.2
135.66484	0.1
148.34016	0.2
151.78084	0.1
175.39912	0.1
203.86797	0.1
260.92120	0.2
272.22180	0.2
335.22293	100.0
336.22632	9.0
344.54745	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2231
Annotation	11-deoxy-PGE2
Peak:m/z	Relative Intensity
57.53897	1.0
71.28941	1.2
77.77283	0.9
100.87777	0.9
219.69138	1.2
236.86029	0.9
276.66595	0.9
291.19574	1.1
335.22290	100.0
336.22620	10.0
358.14551	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0027
Annotation	Unknow
Peak:m/z	Relative Intensity
74.46807	0.4
78.22234	0.4
81.50471	0.4
85.02947	0.5
95.07593	0.3
125.02428	0.4
141.88583	0.4
149.02419	0.7
156.60475	0.4
185.06128	1.3
189.05592	0.6
196.88426	0.4
213.05576	8.7
215.03496	1.6
257.04559	100.0
258.04916	6.9
304.45993	0.4
331.91663	0.4
337.00269	5.6
337.16617	0.8
337.20193	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0778
Annotation	L-Ascorbic acid-2-glucoside
Peak:m/z	Relative Intensity
57.03440	1.0
59.01384	3.1
68.99813	3.7
69.07771	3.7
71.01379	2.6
73.02937	1.0
75.00864	1.2
80.01494	0.7
80.17508	0.6
83.01383	1.7
85.02946	7.6
87.00871	1.2
89.02448	1.0
95.01416	1.2
97.02934	0.9
98.22631	1.0
99.00883	5.7
101.02433	1.1
111.00884	1.9
113.02450	5.9
113.99599	21.5
115.00388	6.9
127.00373	1.5
128.80690	0.7
129.01947	2.7
139.00330	0.9
157.01402	3.7
169.01369	1.5
174.01714	15.5
175.02457	1.8
227.54776	0.7
277.05673	22.2
278.05887	0.7
337.07779	100.0
338.08063	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	337.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.6
57.03441	1.3
57.26686	0.3
59.01384	8.4
60.00237	0.3
66.73268	0.3
68.99817	3.4
69.03450	0.7
69.86423	1.2
71.01387	6.5
72.99305	0.6
73.02951	2.4
75.00868	1.6
83.01391	2.1
83.05054	0.5
85.02484	0.6
85.02962	8.8
87.00887	2.8
89.02451	2.7
91.01920	0.3
93.03494	0.4
93.08823	0.3
95.01389	1.4
95.05062	0.6
97.02970	0.9
98.21904	0.3
99.00882	5.4
101.02447	4.3
111.00182	0.5
111.00891	3.0
111.04510	0.3
112.98769	0.5
113.02465	8.0
113.99594	20.6
115.00396	8.2
117.01999	0.4
119.03527	0.8
119.05011	0.4
125.02430	0.4
127.00381	3.0
127.04050	0.4
129.01930	2.9
131.03590	0.4
135.04549	0.4
139.00403	1.0
141.01895	0.8
143.03476	0.3
151.04074	0.3
157.01421	5.0
157.05060	1.0
161.04616	0.6
161.06105	0.7
162.03113	0.5
163.04007	1.1
165.47124	0.3
169.01459	1.6
173.04533	0.4
174.01700	18.2
175.02470	2.4
175.06081	1.7
187.04156	0.3
190.02647	0.3
191.05579	0.9
193.01488	0.8
203.76813	0.3
205.05118	1.6
249.04054	1.0
277.05649	21.7
278.06091	0.9
337.07779	100.0
337.11243	5.3
338.08176	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0931
Annotation	Jiadifenin
Peak:m/z	Relative Intensity
50.16560	2.2
50.68002	2.5
54.28214	2.5
57.03414	2.7
59.01384	32.0
67.01891	33.3
69.30518	12.9
69.30914	6.2
76.17104	2.7
80.12732	3.0
80.77672	2.4
83.01376	9.6
85.02971	11.4
85.06621	3.7
87.00916	3.2
87.04521	2.6
93.03439	3.4
95.05025	13.7
98.22489	5.6
99.25641	2.4
108.02237	2.8
109.02969	4.7
109.06587	5.9
111.00918	3.6
111.04528	100.0
113.06088	5.5
118.04275	5.7
119.05077	5.2
122.03769	5.6
123.04523	4.2
125.02482	3.2
127.04033	2.9
135.04546	8.2
135.08194	3.4
135.54440	2.8
137.02505	3.6
137.06085	68.0
137.09723	2.9
138.06375	2.7
139.04004	3.1
151.04025	2.8
151.07654	8.7
154.36865	2.7
155.07155	4.9
163.03944	3.4
163.11313	3.3
167.07005	3.5
179.07130	11.4
179.10800	2.9
181.04991	6.3
183.06635	73.5
190.06114	3.1
191.03558	4.4
191.05661	6.9
195.06680	4.0
205.05061	5.7
205.08716	7.0
207.03029	4.9
207.10216	3.5
221.11890	3.3
223.06125	34.1
231.10318	3.4
233.08200	96.8
234.08791	5.9
249.11301	40.5
251.09219	14.8
266.92554	2.4
277.07480	4.2
288.43686	3.1
293.10214	12.4
337.09280	74.8
337.12918	6.9
337.16519	5.2
337.20325	8.4
338.03580	3.2
338.09851	7.4
338.13800	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0931
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
56.93182	0.2
59.01376	2.5
60.99291	0.3
67.01888	1.4
67.15263	0.3
69.03440	0.6
69.17787	1.6
71.01382	1.4
73.02943	0.3
83.05029	0.6
85.02953	7.7
87.00881	2.8
89.02426	0.8
93.03461	7.2
101.02435	0.4
109.02966	0.6
111.04530	1.5
113.02464	0.3
119.03526	0.4
119.05043	2.4
127.04010	1.9
145.02939	0.8
155.03537	0.4
163.03981	2.4
171.03038	0.4
173.04550	2.2
184.76817	0.3
191.05614	100.0
192.05974	2.7
201.91737	0.3
266.75989	0.3
277.72748	0.3
324.20389	0.2
337.09531	1.4
337.12894	0.3
337.15186	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0932
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
55.52151	0.4
59.01380	4.3
59.83430	0.5
60.99296	1.5
67.01894	3.3
68.98460	2.3
68.98883	2.0
69.03451	1.2
71.01389	3.2
73.02939	0.8
74.85735	0.4
81.03438	0.4
83.05042	0.8
85.02959	6.9
87.00879	6.7
89.02450	0.4
93.03464	22.1
94.03802	0.6
99.00896	0.8
99.04540	0.8
101.02447	1.3
106.81930	0.4
109.02988	0.6
111.04530	4.5
113.02460	0.8
114.30777	0.4
119.05030	9.5
120.99651	1.5
127.04020	1.2
129.01959	0.8
137.02377	0.5
145.02945	1.6
155.03566	1.2
161.04565	0.5
163.04037	9.6
164.04407	0.5
171.02957	0.5
173.04558	12.3
191.05624	100.0
192.05971	3.3
203.33063	0.4
337.09375	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	337.1083
Annotation	(-)-Glyceollin I
Peak:m/z	Relative Intensity
68.37417	1.5
70.23284	3.5
70.23609	2.9
79.58736	1.6
82.25060	1.6
96.95997	2.2
98.95631	4.6
121.69183	1.8
177.05576	3.6
178.94318	1.8
195.08122	3.1
206.07381	1.9
207.08208	5.5
217.06631	2.2
223.07675	4.6
234.06847	4.7
235.04024	2.2
235.07660	11.2
237.05544	3.2
249.05457	1.8
250.06339	4.7
251.07100	12.4
262.06262	2.0
263.07141	7.0
266.05826	1.7
266.09558	5.6
272.03448	2.2
278.05923	2.6
279.06641	86.0
280.06927	5.9
290.05762	3.4
291.06662	33.9
292.07391	10.6
293.08298	3.2
294.05829	2.0
294.08832	8.6
302.74582	1.9
305.08179	4.9
306.08954	27.7
307.06146	100.0
307.09433	4.8
308.06470	6.4
321.07675	19.8
322.08466	61.0
323.08786	5.5
337.07318	2.7
337.10843	59.5
337.15079	3.0
337.20078	3.8
337.23853	10.7
338.10959	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	337.1085
Annotation	(-)-Glyceollin I
Peak:m/z	Relative Intensity
66.03449	0.9
125.02442	4.3
125.06042	1.1
144.93741	0.9
145.02953	1.4
162.03238	2.2
165.09172	2.1
169.01445	2.4
177.05592	4.6
193.06548	0.9
195.08211	2.1
196.05338	0.8
206.07367	3.3
207.08141	6.9
209.06346	1.3
209.08165	6.1
217.06607	1.8
219.08028	1.2
222.06874	2.6
223.07660	5.6
233.06023	2.2
234.06905	4.3
235.04062	1.9
235.07640	16.1
237.05539	2.1
241.40855	0.9
243.59663	0.8
250.06361	3.0
251.07133	11.0
261.05545	2.6
262.06360	2.3
263.07153	8.2
264.07864	1.0
266.09470	5.0
278.05804	3.9
279.06656	93.6
280.07001	5.8
284.56943	1.1
290.05734	2.0
291.06677	35.0
292.07352	10.3
293.08145	3.1
293.93304	1.0
294.09085	7.5
305.08325	4.4
306.05560	1.8
306.09018	29.7
307.06171	100.0
307.09488	7.1
308.06494	7.3
313.05746	1.2
321.07690	15.9
322.08484	60.7
323.08792	4.4
337.10834	53.8
338.11261	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	337.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00554	1.3
59.01384	100.0
59.97292	1.2
60.01707	2.1
67.16129	1.2
68.99842	1.5
69.03456	1.9
69.78581	4.0
71.01390	30.2
72.99322	3.8
73.02946	4.1
74.99068	1.2
78.95924	7.0
83.01390	2.7
83.05041	1.2
85.02957	14.4
86.00040	1.1
87.00874	4.8
87.04504	1.1
89.02457	19.6
92.32645	1.1
92.34175	1.2
93.03481	3.2
95.01367	1.6
98.21851	1.7
99.00892	4.2
101.02441	16.9
109.02964	1.5
111.00908	1.6
113.02477	14.0
113.06140	1.3
113.99591	7.1
115.04007	1.9
119.03506	10.4
119.05031	3.5
121.06580	1.3
127.00418	1.4
136.94038	2.2
136.95024	1.3
143.03481	2.1
153.00418	1.5
157.01382	1.6
161.04576	7.9
163.04041	2.5
168.99950	1.5
174.01675	6.6
175.06133	1.8
175.09804	2.5
178.94981	1.3
179.05656	3.1
189.78348	1.2
191.05623	13.6
192.95847	2.0
194.92818	2.5
194.95514	4.7
195.01512	3.9
205.05103	1.9
208.93845	5.2
241.00401	2.1
250.94987	6.2
252.92821	5.2
277.05542	8.2
277.08899	1.2
294.93851	14.1
295.93744	1.7
336.94974	6.9
337.04114	1.7
337.07794	37.4
337.11322	4.6
337.15005	4.2
338.08218	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	337.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08126	1.0
56.56944	1.0
57.03424	1.0
59.01383	100.0
60.01690	1.8
61.22001	1.3
61.45260	1.0
67.05068	0.9
68.98312	7.6
68.98721	2.7
69.89765	1.0
71.01382	18.0
72.99301	1.5
73.02942	3.3
78.95877	1.6
81.83150	1.0
85.02953	8.0
87.00886	3.2
89.02445	14.2
93.03466	2.5
99.00885	1.8
101.02451	8.9
113.02452	9.6
113.99594	4.3
115.00413	2.2
115.04059	1.5
119.03490	5.7
131.03535	1.9
133.05096	3.1
157.01447	1.3
157.05122	1.7
161.04567	8.4
163.03984	1.9
167.01991	2.2
174.01704	3.8
175.06177	2.3
175.09747	1.2
179.05518	1.8
183.29472	1.1
191.05653	7.7
192.99875	1.8
194.95517	1.7
208.93816	1.8
235.00989	1.4
250.94958	1.7
252.92714	1.8
276.48050	1.3
277.05649	5.3
277.08920	1.4
280.74832	1.2
294.93912	3.9
336.94394	1.6
337.04083	2.3
337.07773	18.8
337.11267	2.2
337.14465	1.2
337.17053	2.2
338.08218	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	337.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	7.3
59.01379	18.8
69.20222	28.3
71.05034	15.4
81.03519	5.0
83.05032	23.9
95.05045	5.2
98.21777	10.3
109.06607	100.0
109.07294	8.6
111.04546	28.9
111.08196	5.2
123.08176	8.5
125.02459	4.7
125.06085	32.6
127.07684	14.6
133.10168	5.7
135.08188	8.5
137.02443	6.5
137.06166	4.6
139.07631	6.2
141.92229	4.3
145.74315	4.8
151.11267	33.1
153.09245	11.6
165.09192	9.1
167.07071	4.3
183.06708	5.0
207.06673	16.3
209.08165	17.5
216.04221	5.2
221.08263	15.6
221.15514	7.3
223.13416	63.9
234.05382	39.8
235.06003	11.3
249.11516	7.8
268.60074	5.2
277.10864	21.2
294.07434	9.9
305.10349	17.1
307.06097	11.0
337.12857	25.4
337.16693	26.3
337.20264	18.3
348.30356	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	337.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.7
57.03424	1.3
59.73467	1.1
60.68703	0.9
63.31823	0.8
66.86146	1.1
69.39409	2.5
69.39818	4.4
71.04985	1.1
71.61487	0.9
73.02916	1.4
79.01897	1.6
85.06591	10.7
87.04528	4.0
93.03430	1.6
95.05045	1.8
97.02973	1.5
97.06606	6.2
99.08174	1.5
108.15646	0.9
109.02977	1.3
109.06577	5.6
111.03751	1.3
111.04521	24.3
121.06610	2.4
123.08166	23.2
125.02401	1.4
125.06111	9.1
125.09754	1.9
126.70362	1.1
127.11262	3.0
133.10219	1.0
135.04509	1.5
135.08145	2.6
137.09731	3.5
138.03227	7.8
139.04054	2.2
141.09317	1.1
150.06873	2.3
151.04031	1.7
151.07657	1.3
151.11264	9.2
152.04761	1.6
153.09224	11.7
155.10880	1.7
163.07639	4.8
164.08401	1.6
165.01912	1.2
165.09248	6.2
165.12885	6.7
167.07103	4.9
176.08398	1.0
177.02066	1.0
177.09157	1.2
179.03510	7.5
179.10793	11.9
180.04300	4.9
181.08727	19.7
193.12347	1.8
195.10272	15.9
203.06912	1.2
203.14404	1.6
205.08682	3.8
206.09473	2.4
207.06706	2.9
209.08191	25.1
210.08575	1.1
214.60954	1.0
219.13876	2.1
221.08168	7.4
221.15465	26.9
222.09003	14.1
222.15813	1.7
223.09763	16.8
224.09909	1.1
231.06573	1.2
231.13985	3.6
232.07355	1.1
235.06204	1.2
247.13385	3.1
248.06863	1.2
249.14961	7.3
250.08479	5.6
253.10840	3.7
265.14438	80.2
266.14816	4.6
275.12912	25.4
276.13242	1.9
293.13965	100.0
294.14212	6.8
337.12961	51.0
337.16354	3.5
338.13437	3.8
344.33069	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1297
Annotation	1-Peroxyferolide
Peak:m/z	Relative Intensity
52.40378	1.7
59.01374	8.5
60.35202	1.9
62.99973	1.7
70.40727	4.7
84.38811	1.7
85.02966	18.6
85.06592	5.2
87.04533	13.2
95.05038	15.6
109.06593	2.9
111.04527	45.7
111.08171	3.9
113.02454	4.1
113.06104	7.3
122.03683	2.4
123.08160	4.4
135.00797	2.3
135.04498	3.3
135.08186	4.6
137.09744	4.5
139.03928	2.3
139.07719	2.8
150.95219	2.3
151.03998	3.5
151.07666	4.2
151.11253	2.3
153.05615	9.2
153.09203	2.6
155.07137	8.9
161.02409	5.2
163.00386	2.2
163.03987	2.5
163.07680	8.6
165.05656	2.3
177.01907	6.2
177.09209	4.7
178.06281	4.5
179.10756	18.7
179.14325	2.0
181.08688	8.4
183.06633	89.7
184.06955	4.8
189.05611	5.2
189.12860	2.8
191.07129	2.7
192.07878	3.1
194.05836	2.2
203.07138	3.3
204.07890	7.6
205.08681	8.4
205.15955	3.8
207.06624	10.6
207.13863	3.2
209.08168	6.4
216.11505	2.7
217.08699	3.1
220.07397	6.2
221.08218	17.9
221.11774	4.5
221.15457	3.2
223.09682	3.7
225.07678	3.6
231.06578	9.4
231.13907	8.2
232.07350	3.3
232.11075	2.9
233.11818	31.1
247.13350	8.7
249.07681	39.0
249.11440	3.5
249.14917	15.8
250.08067	4.3
251.05573	8.2
251.12930	7.8
265.14420	3.0
275.12918	100.0
276.13232	5.9
277.10721	12.9
293.13980	19.0
294.11121	6.7
319.11932	15.7
337.12976	49.5
337.16376	2.6
337.19983	3.3
337.23807	2.3
338.13376	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	337.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33286	0.2
54.37067	0.2
58.28510	0.2
59.01367	0.3
61.26338	0.2
71.29469	0.3
79.95747	2.1
96.96020	100.0
97.95975	0.3
98.05939	0.2
105.79810	0.2
109.06566	0.2
127.07658	1.4
132.83119	0.2
135.04498	0.2
169.01349	0.4
169.49022	0.2
239.16522	0.3
257.17560	2.2
287.66223	0.2
337.13281	39.1
338.07788	0.2
338.09552	0.3
338.13574	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	1.6
57.03445	1.7
58.00595	4.6
59.01385	100.0
69.07871	11.2
71.01389	47.5
72.99304	6.2
83.01385	2.5
85.02951	11.6
87.00892	3.3
89.02449	57.9
93.03473	3.8
95.01408	3.9
101.02451	34.6
113.02465	19.7
119.03513	26.9
119.04926	1.9
131.03488	1.8
149.04488	1.6
161.04529	1.4
173.04651	1.6
175.09702	2.1
177.70364	1.5
179.05594	3.7
188.86240	1.5
191.05627	15.8
193.54047	1.5
205.86655	1.5
264.19421	1.8
337.15073	97.8
337.19931	5.2
338.15472	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	337.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.7
57.03439	1.7
58.00586	4.7
58.18096	1.2
58.57559	1.1
59.01384	100.0
60.10604	1.1
69.08922	10.1
71.01389	53.8
71.05004	1.2
72.99303	5.2
73.02943	1.5
83.01396	2.5
84.81487	1.2
85.02959	13.8
87.00875	4.3
89.02448	65.0
93.03449	3.7
93.68625	1.3
95.01389	4.1
101.02457	34.6
104.33146	1.2
113.02450	22.4
119.03514	30.1
119.04936	2.0
131.03517	2.5
132.56810	1.3
143.03505	2.6
149.04602	1.8
157.56210	1.3
161.04549	2.7
173.04527	2.2
175.09692	2.3
179.05609	3.5
181.18648	1.1
184.65837	1.5
185.42226	1.2
188.35387	1.3
191.05627	18.2
337.15070	91.0
337.19852	3.9
338.15408	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	337.166
Annotation	Trimethylolpropane trimethacrylate
Peak:m/z	Relative Intensity
57.03427	0.4
58.90140	0.3
59.01377	0.8
60.65463	0.3
63.09945	0.3
64.10133	0.3
67.66144	0.3
69.66904	0.8
69.67287	0.7
73.02945	4.6
85.06575	0.6
87.04517	6.1
95.05051	0.4
97.06544	0.4
101.06080	1.2
111.04514	1.7
113.09733	3.8
121.06596	1.2
123.08193	0.5
125.02460	0.4
133.49321	0.3
135.08170	0.4
137.06136	0.5
137.78555	0.3
147.04504	0.3
149.06117	0.5
151.04095	0.4
153.05534	1.1
165.05586	0.9
165.09219	0.6
166.06361	0.7
168.33134	0.4
175.07634	0.9
179.07153	5.2
179.10838	0.5
181.08722	15.4
182.09006	0.8
191.03531	1.1
191.07083	0.9
191.10791	2.5
193.08739	0.5
195.06689	0.8
203.07103	0.8
204.04221	0.8
205.08646	0.9
206.05832	7.6
207.06410	0.7
207.10260	3.4
209.08159	1.0
217.08850	0.5
218.09422	0.4
219.06622	4.8
221.08195	1.6
221.11909	0.6
221.15532	0.7
223.09737	1.0
226.08450	2.2
227.84230	0.4
231.10277	7.9
232.10524	0.7
233.08282	0.7
235.09665	0.4
245.11829	0.7
246.12543	1.4
247.06085	2.8
248.06697	0.4
249.11293	5.0
249.15100	0.5
251.09222	2.2
261.14966	23.5
262.08261	0.6
262.15265	1.5
263.12817	0.7
264.13770	0.9
265.11722	0.4
265.14474	2.7
275.09250	1.2
275.12888	0.6
277.14496	3.0
293.13885	3.3
294.07986	0.4
305.13950	21.9
306.14349	1.9
337.16577	100.0
338.12939	0.5
338.16916	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	337.166
Annotation	2'-Hydroxyzearalanol
Peak:m/z	Relative Intensity
57.03453	1.9
59.01371	3.2
69.03467	1.3
69.15212	7.0
69.80179	0.9
71.01353	1.0
71.05506	0.9
77.84129	0.8
79.09153	0.8
85.02950	3.8
85.06593	25.8
87.04530	4.4
93.03431	1.2
95.01421	1.4
95.05004	4.3
109.02901	1.0
111.04525	13.0
111.08153	2.1
113.02454	8.0
113.06083	1.4
121.02998	1.4
121.06607	1.0
125.02464	1.2
127.07664	1.2
135.08159	1.1
137.06114	2.8
137.09756	2.4
138.03217	1.4
139.03995	6.1
139.07651	3.6
155.07176	2.5
163.04004	1.4
163.07669	1.9
163.11273	1.4
164.04810	2.0
165.05582	5.4
165.09190	2.9
166.06375	1.6
177.05565	1.2
179.07143	1.5
181.05090	3.0
181.08621	1.6
181.12331	2.1
183.06624	24.7
183.12927	1.1
184.06984	1.0
189.09315	1.4
191.03513	1.6
191.07167	4.8
192.07738	1.6
193.05045	2.7
204.19650	0.8
205.08722	3.0
207.06657	6.4
207.10258	7.9
208.07365	2.7
209.08182	17.6
210.08548	1.0
223.09673	1.1
225.07698	4.6
233.08171	7.0
234.08904	3.5
251.09221	10.3
275.16370	1.0
277.14499	4.1
319.15500	12.1
320.15729	1.3
337.16602	100.0
338.16809	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	337.1661
Annotation	Trimethylolpropane trimethacrylate
Peak:m/z	Relative Intensity
57.03454	0.5
65.00317	0.5
68.99806	0.5
71.28671	0.9
81.03478	0.8
85.02945	1.0
85.06596	0.6
87.04566	0.5
95.05025	0.7
109.02959	4.2
109.06598	3.4
111.00896	2.4
111.04533	5.5
113.02523	0.4
113.06054	0.7
113.09724	1.7
119.08720	0.6
123.08181	0.4
125.02434	2.5
136.98869	1.1
137.02446	3.5
137.06084	0.9
138.03242	1.0
139.04027	0.5
141.73344	0.4
151.07634	0.7
153.01944	8.2
153.05554	2.0
153.53029	0.4
154.02472	0.4
155.07169	1.2
163.00458	0.5
163.04045	1.8
163.07661	1.5
165.01935	0.9
165.05598	1.0
166.02753	4.4
179.07152	11.6
180.07686	0.5
181.05077	57.5
182.05406	1.8
183.06624	1.1
189.05547	1.0
195.06619	0.4
197.52669	0.4
207.06621	12.1
208.07397	8.9
209.04614	1.1
209.08090	1.1
223.06105	5.0
224.06914	8.2
225.07646	2.4
240.06276	0.4
279.12408	1.6
293.17722	0.5
335.24045	0.6
337.16577	100.0
338.16925	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	337.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68034	0.3
57.03442	1.4
59.01372	1.3
61.98816	0.4
71.05006	0.4
71.27843	0.4
78.31671	0.4
83.01414	0.4
85.02953	0.5
87.00883	100.0
87.04524	1.0
88.01223	1.4
97.06598	0.4
111.04522	1.1
113.06075	0.4
113.09736	7.5
123.00933	0.4
125.02460	1.4
141.05551	0.8
146.01434	0.4
150.03242	0.4
155.07133	0.8
164.88225	0.4
165.09241	0.6
166.06403	1.2
169.01447	0.9
179.07230	0.4
181.08719	57.9
182.09038	2.5
187.85658	0.4
193.08788	0.7
209.08163	2.1
249.15103	0.5
253.10881	3.4
265.17923	0.5
275.20139	0.6
283.30869	0.4
293.13992	1.5
293.17499	1.3
305.94775	0.4
310.81418	0.4
313.05917	0.6
337.12903	1.2
337.16599	10.7
337.20255	1.6
337.23737	0.7
338.08606	0.6
338.16992	0.9
355.90213	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1661
Annotation	Trimethylolpropane trimethacrylate
Peak:m/z	Relative Intensity
57.03450	0.6
57.99809	0.5
59.01391	0.9
69.69244	2.5
71.04992	0.5
79.01887	0.5
81.03418	0.7
87.04538	1.0
95.05019	0.8
98.21796	0.6
109.02969	2.1
111.04520	2.4
113.09718	1.4
123.08192	3.1
125.02451	4.0
137.02412	0.9
151.00427	1.5
151.07631	1.7
153.01958	9.4
154.02734	2.1
163.07611	1.0
165.05573	0.7
173.11780	1.1
177.05568	2.1
178.06339	1.4
179.07143	7.2
180.00655	1.6
180.07932	1.8
181.01436	2.1
181.05098	3.0
181.12303	2.0
182.02222	9.6
183.06631	1.4
195.06644	34.9
196.07051	2.5
206.05840	0.7
207.06676	4.6
208.07350	1.6
209.04585	1.6
223.06148	14.3
223.13295	0.7
224.06917	100.0
225.07373	6.1
275.12970	1.9
279.12207	0.6
337.13397	2.4
337.16599	60.6
338.16977	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60782	0.8
55.01883	9.0
57.03447	6.8
58.00591	4.2
59.01383	76.9
60.99274	1.0
67.01869	3.5
68.99809	0.9
69.03448	3.1
69.31670	4.1
69.32064	2.1
71.01387	100.0
72.01698	0.9
72.99317	5.3
73.02953	32.2
74.99117	1.0
75.00850	1.5
81.03444	1.1
83.01395	17.1
85.02954	48.1
86.00110	0.9
86.03305	1.2
87.00887	11.1
89.02451	29.7
93.03462	17.3
94.03858	1.0
95.01408	7.7
95.31461	1.1
97.02937	1.9
99.00891	13.1
101.02450	78.3
102.02781	1.6
109.02914	0.9
109.87158	0.8
111.00880	4.4
111.04511	2.6
113.02459	40.3
119.03515	10.5
119.05013	7.4
120.99644	2.2
122.99210	2.5
125.02435	3.0
127.03991	1.4
129.01942	2.8
131.03517	1.4
143.03477	4.0
143.10745	1.5
145.03003	1.0
147.04468	1.0
149.06061	2.6
155.03503	1.2
157.08751	1.0
159.03012	9.0
161.02515	1.7
161.04572	34.9
163.04021	8.1
163.06253	0.9
173.04578	8.4
175.03951	1.9
175.13390	6.4
177.01895	1.1
189.01921	2.1
191.05629	73.7
192.05949	3.4
205.03438	1.6
205.05225	1.2
207.02834	0.8
219.02898	0.9
219.12393	1.4
237.04129	1.5
248.03238	2.2
249.07690	1.1
263.05667	1.2
268.64618	0.9
278.07895	1.6
293.10123	1.1
337.09070	3.3
337.15024	4.0
337.18674	50.0
338.19147	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	339.0722
Annotation	Esculin sesquihydrate 
Peak:m/z	Relative Intensity
57.03407	0.2
59.01381	9.1
71.01362	0.7
71.36276	0.2
73.02913	0.2
74.99097	0.7
81.03444	0.6
85.02957	0.3
87.00880	0.5
89.02432	0.4
89.03967	2.2
95.05026	0.3
101.02433	0.6
104.02675	0.8
105.03468	3.9
109.02962	0.2
121.02937	0.3
126.24264	0.2
133.02969	8.9
134.03329	0.5
139.07565	0.2
145.12482	0.2
148.01672	0.7
149.02449	1.1
151.04050	0.2
152.61757	0.2
157.08701	0.5
161.04578	0.4
176.01180	1.8
177.01938	100.0
178.02286	4.6
179.74695	0.2
187.09763	0.4
188.63548	0.2
193.08713	0.2
279.14572	0.6
339.07260	9.1
339.11050	1.1
339.14890	0.3
340.07535	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12899	1.0
59.01365	3.8
62.69883	1.2
68.99805	1.1
69.16216	1.0
71.01392	2.3
72.99279	1.5
83.01385	2.4
85.02980	1.0
87.00884	8.0
87.04520	8.2
94.87511	0.8
98.21721	1.7
99.00883	1.9
113.98853	1.6
113.99599	21.1
115.00389	8.9
115.04031	3.1
115.88956	0.9
172.48793	0.9
174.01704	100.0
175.02333	5.1
176.72165	0.9
197.28499	1.0
223.09782	6.2
251.09244	3.3
279.08771	14.0
280.09201	1.2
339.10870	85.3
340.11255	7.1
359.79727	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49422	1.0
56.81308	0.8
58.00587	1.6
59.01380	35.9
63.97429	0.9
68.43753	0.9
69.04914	7.4
71.01385	5.3
72.13859	0.9
72.99310	1.6
89.02442	3.0
96.96009	3.8
101.02451	3.3
136.07684	1.1
149.07236	1.6
155.03532	1.0
159.90794	1.0
161.07210	2.7
162.04335	1.2
163.08749	4.8
165.75073	1.0
175.05193	1.3
176.05919	30.6
177.01944	1.7
177.06703	41.1
178.06970	2.2
188.05939	1.0
191.08273	62.6
192.08609	2.2
196.69289	0.9
203.08228	3.0
205.06184	75.4
206.06618	2.4
219.07758	73.1
220.08075	4.2
224.68073	1.0
245.09297	2.3
282.54086	1.0
287.58722	1.1
311.12579	1.6
321.10880	7.1
339.11975	100.0
340.12228	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	339.12
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72457	2.3
58.00601	2.3
59.01383	38.6
69.42453	12.5
71.01373	9.0
72.99304	3.7
89.02457	10.6
93.16002	2.3
101.02464	8.2
101.68478	2.6
128.94099	2.4
143.27367	2.4
158.04813	12.9
159.05663	45.8
173.07207	60.0
177.01917	14.3
177.06708	26.4
177.84035	2.3
189.06630	2.5
190.97734	2.3
191.08266	13.9
205.06184	100.0
206.06543	5.2
219.07767	67.5
219.11128	3.0
307.77625	2.6
311.12384	2.7
321.11102	3.5
339.07913	5.2
339.11966	48.3
343.36398	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	339.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84187	2.4
59.12870	2.7
65.37518	2.5
69.44408	13.0
102.40504	2.3
112.91840	2.4
113.10958	2.4
125.09712	4.6
157.08548	2.9
161.34056	2.5
163.04030	24.8
174.89528	2.5
201.05537	5.8
238.54144	2.8
263.07013	5.2
265.05093	4.2
266.05832	4.8
281.08289	7.4
291.06625	9.1
294.05334	10.4
295.09735	3.9
309.07693	35.6
323.09238	9.0
324.10013	15.7
325.10168	2.5
339.12369	100.0
339.17996	4.2
339.21500	2.9
340.12732	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	339.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98793	1.0
62.48930	0.8
63.15744	0.8
69.42424	2.5
69.42839	2.4
98.22565	1.6
102.02063	0.9
109.02952	1.9
121.02941	2.2
125.09747	0.9
133.02986	1.4
134.03741	6.9
135.04527	2.9
145.02950	6.6
147.04617	1.5
149.06030	4.3
157.08794	1.1
159.04567	1.4
160.05191	1.2
161.02428	2.1
163.04019	39.4
164.04277	2.0
171.10213	2.3
173.11803	1.3
187.03995	2.7
188.04845	5.5
189.05542	1.4
202.06267	1.1
207.08133	1.2
209.06091	0.9
213.44638	1.0
234.06627	1.1
235.07661	2.7
237.05475	2.0
239.07234	1.1
249.05664	1.2
252.07999	1.3
253.08636	3.6
262.06308	1.6
263.07129	8.0
265.05121	2.9
265.08716	1.0
266.05823	1.7
277.08716	1.5
279.06631	2.3
280.07300	4.1
281.08081	6.3
286.71707	0.9
291.06604	17.8
292.07227	4.8
293.08206	2.0
294.05435	2.8
295.09842	4.5
305.08209	3.7
306.09106	1.6
307.06314	1.6
308.06946	9.4
309.07709	68.3
310.08047	6.2
323.09201	8.2
324.10037	44.5
325.10318	4.4
329.78702	0.9
339.12369	100.0
340.12762	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	339.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
61.90561	0.9
66.74871	0.8
69.25848	6.4
71.01401	6.6
73.02975	0.9
85.02957	1.6
89.02437	2.2
101.02461	4.8
104.82661	1.0
113.02454	1.6
148.01578	1.6
156.58409	0.9
158.04895	2.6
159.05629	8.4
161.04573	3.6
173.07227	11.0
176.01169	2.3
177.01933	15.4
177.06725	3.7
191.08272	3.9
205.06213	16.0
219.07753	13.3
220.07999	1.2
279.14471	5.8
297.11691	1.4
321.10687	1.4
339.07376	2.6
339.11868	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	339.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	8.1
59.01375	2.7
64.59710	2.2
69.03458	2.7
70.85210	4.1
76.92659	2.3
83.05011	5.5
97.06585	16.5
99.00867	3.4
111.08176	19.6
123.04549	3.9
123.08168	12.1
125.09734	100.0
134.03746	3.6
135.04355	2.7
135.08176	6.7
149.06044	3.3
151.07648	3.4
153.09254	6.7
159.10269	9.6
163.04027	14.7
169.08672	4.0
171.10287	3.6
173.08235	3.6
187.09766	37.6
197.08237	7.3
211.09818	4.2
225.11263	15.3
228.84210	2.8
253.62349	2.4
291.06577	4.4
295.19070	6.1
308.06937	4.3
309.07697	26.9
324.09946	16.3
337.25397	2.9
339.12347	39.9
339.18085	41.0
339.21973	2.4
339.26825	6.4
340.12750	5.5
340.18448	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	339.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39333	0.5
59.60819	0.5
59.64894	0.6
60.77227	0.6
73.22562	0.6
79.95751	1.9
98.22562	1.2
98.95596	0.7
112.98646	0.6
119.05025	1.1
149.22679	0.6
151.58521	0.7
163.11302	41.5
164.11624	2.0
170.00427	0.7
183.01219	57.9
184.01808	3.4
185.70940	0.6
191.20151	0.6
197.02797	1.5
216.01039	1.4
225.06003	0.8
239.07570	1.0
284.63757	0.6
319.30093	0.7
339.19928	100.0
339.23386	14.7
340.20215	9.8
340.23740	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2331
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
63.68444	0.1
68.97617	0.9
68.98019	0.2
71.24237	0.1
97.58720	0.1
104.13151	0.1
107.05041	0.2
114.96295	0.1
147.08163	0.4
163.11295	100.0
164.11618	5.9
183.01219	0.3
197.25629	0.1
203.34343	0.1
281.65466	0.1
313.74100	0.1
339.23294	49.2
340.23636	6.4
349.44540	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2543
Annotation	7alpha,8-dihydroxy-5beta,8betaH,9betaH,10alpha-Labdan-15-oic acid
Peak:m/z	Relative Intensity
55.14113	1.0
55.75522	1.0
57.51508	1.0
65.11602	1.1
67.69933	1.0
69.16240	7.2
69.21500	0.9
73.52348	1.0
151.32990	1.0
211.95427	1.0
221.17778	1.0
221.54758	1.2
277.25375	50.6
278.25797	4.9
295.26407	2.4
321.24365	19.6
322.24792	2.9
339.25412	100.0
340.25720	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	340.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06913	0.4
51.18678	0.4
56.37455	0.4
58.14859	0.4
62.89563	0.4
65.99852	4.1
68.01406	0.6
68.99811	7.6
69.00111	2.6
70.72132	0.4
79.54974	0.3
89.02467	0.5
98.22488	0.7
108.92937	0.4
115.05542	1.6
116.05079	4.0
117.03503	0.5
142.06638	11.3
143.05028	0.7
166.99718	0.4
170.06122	1.5
173.15633	0.4
184.05315	0.5
185.11818	0.4
186.03937	0.9
186.05621	18.1
187.05952	0.6
212.03551	8.1
214.05116	100.0
215.05475	5.9
227.05876	0.8
296.12985	1.1
341.26990	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0433
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	9.6
59.01394	40.6
69.45747	11.6
69.46136	15.1
71.01392	25.4
76.45655	5.1
80.21842	5.7
83.01381	7.1
89.02451	37.4
89.30033	4.8
93.03506	6.3
101.02439	17.1
109.02961	19.7
111.04504	5.4
113.02446	11.5
119.03500	6.5
125.02460	94.2
135.04506	45.2
137.02438	21.1
139.03984	16.5
165.01935	25.9
167.03497	15.8
177.05545	6.2
179.03484	55.7
179.05606	10.4
179.07011	6.1
219.06647	7.9
221.04590	7.9
305.06650	100.0
306.07034	12.5
330.76129	5.1
341.10757	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	341.0667
Annotation	bikisocoumarin
Peak:m/z	Relative Intensity
59.01340	0.5
64.01722	0.4
65.00311	0.7
69.00246	4.5
72.35677	0.9
77.03944	0.7
89.02421	0.6
96.34872	0.5
108.02193	1.0
109.02913	0.7
109.26785	0.5
109.61041	0.5
117.03470	1.9
121.02899	1.8
121.57753	0.6
123.00855	1.4
125.09686	1.3
134.03644	0.5
135.00850	1.9
141.09201	1.1
143.05132	0.6
158.03683	0.6
161.02483	2.5
163.00362	1.8
164.01135	0.9
165.01907	2.2
173.11813	1.1
185.06105	1.0
185.08182	0.6
186.03210	1.6
189.05464	0.6
195.40486	0.5
203.07190	0.8
209.06078	0.6
210.06844	0.8
213.02032	0.6
213.05493	0.9
217.05191	1.0
223.04053	0.7
225.05626	1.3
226.06415	1.0
237.05563	0.7
238.06403	0.8
239.03554	1.1
246.53946	0.5
253.05072	6.2
254.05865	2.9
255.06441	0.6
281.01877	0.5
281.04562	15.8
282.05344	100.0
283.05685	8.2
297.07700	77.9
298.08084	6.4
311.09412	0.8
312.38440	0.5
326.11768	0.8
341.06693	18.8
341.09753	0.9
341.13651	4.2
341.19766	1.6
342.07010	1.9
342.14420	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0876
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
59.01382	7.1
69.10922	0.3
71.01382	5.4
72.99301	0.5
83.01424	0.6
85.02946	0.8
89.02448	6.5
94.00043	0.4
95.01371	0.4
96.95988	0.6
101.02457	2.5
101.03038	0.4
101.35785	0.4
107.05041	0.7
113.02469	1.8
119.03503	2.0
121.02953	0.5
121.96521	0.4
125.02471	0.5
133.02979	1.6
134.03787	2.0
135.04536	90.6
136.04858	3.1
137.02438	0.9
143.03519	0.7
149.06061	0.5
151.04048	0.5
161.02457	4.3
161.04527	0.6
177.05594	1.6
178.02795	0.4
179.03506	100.0
180.03867	5.1
188.08405	0.4
219.06566	0.4
221.04552	1.5
228.84526	0.4
251.05560	1.6
260.76999	0.4
281.06778	3.1
341.08606	10.5
342.08972	0.5
356.60327	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.088
Annotation	Caffeic acid 3-glucoside
Peak:m/z	Relative Intensity
53.86872	0.9
57.03455	1.0
58.00578	1.1
59.01380	29.7
60.27247	1.0
68.97787	7.3
71.01383	19.6
72.99294	1.6
73.02931	1.6
74.09006	0.9
83.01391	1.9
83.04948	0.8
85.02986	3.1
87.00896	1.9
89.02454	16.8
99.92554	1.2
101.02442	10.8
107.05040	1.0
109.02967	1.7
111.04557	1.0
113.02462	6.9
117.03501	1.5
119.03519	5.5
121.02984	1.6
123.04582	1.4
125.02460	7.1
133.02956	12.1
134.03738	3.4
135.04532	88.4
136.04898	3.3
137.02464	4.8
139.04024	2.2
143.03499	1.0
148.05367	1.7
149.06100	9.0
151.04044	1.4
161.02457	40.9
161.04572	3.2
161.05937	1.2
162.02791	1.3
163.04036	1.8
164.04814	2.2
165.01990	1.9
173.04492	1.3
177.01947	1.5
177.05597	12.7
178.02528	0.9
179.03511	100.0
179.05510	4.9
179.07118	4.7
180.03862	4.8
203.03493	1.8
219.06659	1.2
221.04559	19.6
221.06589	1.8
222.04961	1.3
251.05611	20.1
252.06041	1.1
281.06671	31.9
282.07040	2.7
305.06485	6.5
329.82639	0.9
341.07986	5.6
341.11313	2.9
341.14606	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54391	1.7
56.56468	1.8
58.00582	1.6
59.01381	15.4
69.68468	1.8
71.01398	12.3
71.28728	1.6
85.02969	1.9
89.02450	17.4
100.61027	1.6
101.02455	5.3
113.02450	5.0
119.03535	5.5
135.04565	3.1
145.03093	2.4
147.04489	2.8
161.02483	4.0
162.03217	3.5
163.04008	11.1
175.04062	4.7
176.04826	12.1
177.05576	4.0
179.05670	4.3
179.07133	2.3
204.04291	2.1
205.05116	5.0
208.03775	3.0
209.06157	4.5
214.86835	1.7
223.07654	4.8
224.08385	2.6
225.05565	2.0
235.07695	4.8
238.06294	2.1
239.07161	6.5
247.07791	2.4
249.05615	2.5
251.07115	7.2
252.07957	14.4
263.07083	13.8
264.07932	2.2
267.06638	6.0
268.07318	4.0
279.06598	13.4
280.07504	17.2
283.06738	1.8
283.09860	7.3
291.06732	11.0
292.07428	64.9
293.08105	14.4
295.06180	7.6
295.09567	1.6
296.06903	39.8
297.07434	5.6
300.84064	1.8
307.06125	7.9
308.06915	34.7
309.07471	2.5
311.09271	70.1
312.09595	7.8
313.07343	3.6
323.09262	100.0
324.09711	7.7
325.10800	2.2
326.11633	6.7
341.06607	3.0
341.10373	24.2
341.14203	7.9
341.19742	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	341.103
Annotation	Methylophiopogonanone A
Peak:m/z	Relative Intensity
51.00245	1.4
51.00492	1.3
56.12956	1.6
57.03443	1.9
59.01373	4.2
63.90987	1.4
69.03455	1.6
89.02444	2.2
93.33688	1.7
94.64588	1.5
105.03458	1.9
123.08180	3.3
125.09713	4.6
133.02942	5.9
134.03763	8.9
135.04539	100.0
136.04869	4.0
137.02423	2.3
139.04030	2.3
141.09215	9.1
148.05319	4.1
161.06023	1.9
162.06813	3.7
167.07121	2.1
170.94327	1.4
171.10281	4.4
173.11865	11.8
177.01965	6.5
178.02713	7.9
179.03514	61.3
180.03781	3.4
185.08209	5.7
187.09789	1.7
205.08702	5.1
237.63641	1.6
279.19809	1.6
341.10315	18.6
341.14029	2.7
341.19626	18.2
341.23483	2.7
342.10571	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.103
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61132	0.9
59.01376	2.2
65.26031	0.8
71.01376	1.3
71.28612	1.1
77.03979	2.9
105.03466	13.3
108.02174	3.6
117.03484	2.8
121.02985	1.4
121.06565	1.4
122.03730	1.5
123.04511	3.0
125.09768	1.1
127.88692	1.0
131.05022	1.3
133.02907	1.0
136.01646	1.1
148.05318	10.6
149.02444	9.4
149.06104	4.8
150.03186	3.6
151.00354	1.0
156.76637	0.8
162.06857	2.1
173.06047	2.1
175.04028	5.6
176.04749	1.0
177.01947	29.9
177.54579	0.9
178.02417	1.4
179.93526	1.0
190.06345	7.5
191.07147	99.8
192.07515	5.9
200.46506	0.9
217.05060	8.9
221.06049	4.5
222.06847	3.2
237.05583	1.8
237.09195	2.7
238.06339	1.6
239.07126	1.1
251.03598	1.1
251.07176	1.7
255.02887	1.7
265.05060	4.1
266.05865	5.3
267.06570	1.7
269.04663	1.1
279.06564	2.8
280.07397	3.1
281.05142	1.8
281.08173	11.7
282.05704	1.3
282.08640	1.1
288.79587	1.1
294.05341	2.8
295.06177	11.1
296.06885	31.5
297.07446	4.1
309.07681	9.8
309.20627	1.1
310.08130	1.1
311.05606	7.5
311.09256	19.5
311.12692	1.9
312.06445	10.3
312.09610	2.2
326.07867	1.9
326.11478	1.7
341.10297	100.0
341.13507	4.3
341.83502	1.1
342.10693	10.0
345.95306	0.9
357.54034	0.9
361.16418	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.34618	0.3
83.14636	0.3
99.41112	0.3
113.45942	0.3
135.04547	0.7
179.03555	0.8
211.07640	0.6
241.05139	0.7
255.06653	0.8
270.05338	0.4
283.06128	100.0
284.06458	9.3
284.09589	0.5
297.07706	0.8
298.04861	1.8
298.08368	0.9
311.05627	58.6
312.05951	4.4
325.07202	1.1
326.07950	82.2
327.04541	0.8
327.08301	8.2
341.07059	1.9
341.10303	45.7
342.10605	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	341.1031
Annotation	porphyrin-5,15-diol
Peak:m/z	Relative Intensity
69.73056	2.8
108.02188	2.4
109.02960	5.5
111.00868	0.8
121.02971	2.6
123.04520	0.9
125.09710	1.1
133.02950	0.9
134.03772	5.6
135.04581	3.6
137.02473	1.4
145.02985	2.6
147.04535	1.4
149.02402	1.2
149.06136	1.2
159.81805	0.7
160.05284	1.3
161.02444	0.8
163.04021	1.1
171.10124	0.9
171.64876	0.8
173.06049	1.4
174.03229	1.1
175.03967	2.6
175.07660	4.4
179.03456	1.5
187.03976	1.4
188.04802	2.2
189.05429	2.0
199.04082	0.8
201.05579	1.4
202.06354	9.5
203.03537	1.0
203.07185	5.0
204.04318	3.8
205.04982	1.2
209.06151	0.8
213.05612	2.5
217.05113	0.9
218.05768	2.9
225.05661	1.5
226.06183	0.8
227.03488	3.5
227.07150	3.0
237.05565	3.3
238.06335	2.7
239.07101	3.3
240.04214	3.5
240.08086	0.8
241.05077	6.6
253.05040	1.4
254.05843	2.3
255.06636	19.9
255.09819	1.4
256.07413	15.0
257.07785	1.3
265.05115	1.6
267.06631	0.9
268.07373	1.8
269.04517	2.4
270.08841	0.8
271.06613	1.6
271.09711	9.0
281.04825	1.2
283.06177	5.1
283.09763	10.1
284.06985	12.4
293.04712	1.2
293.08231	1.1
296.06906	1.8
297.07504	1.1
297.11298	1.2
298.12106	1.5
307.06076	1.6
308.06732	1.6
309.07745	2.6
309.11197	0.8
311.05621	7.4
311.09271	16.4
312.09595	2.1
325.07156	8.5
325.10925	2.8
326.07913	15.0
326.11621	35.2
327.08365	1.6
327.11957	3.2
341.10269	100.0
341.14008	53.3
342.10614	11.5
342.14346	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	341.1032
Annotation	Vitexdoin A
Peak:m/z	Relative Intensity
56.83571	0.9
59.01374	5.8
69.03470	1.1
69.21230	1.8
69.21629	4.6
70.40313	0.8
71.01373	2.8
71.05030	5.5
81.03453	5.1
83.05035	3.8
89.02442	3.0
94.59084	0.8
95.05010	3.6
96.32525	0.9
97.06628	0.9
99.04517	6.4
101.02428	2.0
108.02181	73.8
109.06586	2.5
111.04496	1.2
113.02470	1.4
115.83025	0.9
119.03506	1.5
119.05061	1.2
121.02952	1.3
123.04538	34.7
124.04884	1.5
125.09750	1.1
133.06595	1.7
134.03696	1.9
135.04533	3.9
145.06613	1.9
147.04501	3.0
151.07576	1.7
153.09198	1.0
160.05272	3.7
161.04836	1.2
161.06056	6.5
162.03229	1.1
163.03989	1.1
171.10326	5.4
173.06145	1.8
179.05638	1.3
189.05574	33.7
189.12750	1.0
190.06116	1.7
193.12344	3.6
201.11140	0.8
202.02757	1.8
209.06104	1.0
209.11772	1.5
217.05064	100.0
218.05450	5.9
222.05476	1.1
232.44220	0.9
235.13425	7.6
253.04968	1.1
253.14424	12.3
254.05826	1.9
263.06940	1.1
264.07809	1.5
265.08746	3.0
267.06619	4.1
280.07489	0.9
280.91489	1.0
281.08194	3.5
282.05396	4.7
282.08963	7.0
287.16516	2.4
297.11346	18.0
297.20700	0.9
298.11856	2.0
305.17554	2.3
323.09253	1.4
323.18607	2.8
326.07968	3.2
326.11420	1.2
341.10318	56.2
341.19366	5.5
342.10568	5.5
347.18240	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.3
57.03450	1.9
58.00583	3.2
59.01381	100.0
60.01701	1.3
70.44736	2.1
71.01386	68.7
72.66164	1.0
72.99305	3.9
73.02926	2.0
81.11185	0.8
83.01404	2.2
85.02959	8.6
87.00871	5.0
89.02448	89.4
90.02773	0.9
95.01382	4.4
97.13795	0.8
98.21924	1.1
101.02448	30.5
101.03114	1.6
102.02803	0.9
113.02455	24.9
119.03510	30.1
125.02496	1.2
131.03508	3.8
132.05418	0.9
143.03500	8.7
149.04544	3.3
161.04561	9.6
179.05629	32.1
179.07199	1.8
188.12805	0.8
191.86290	0.9
236.53551	0.9
294.78741	1.0
328.25262	1.0
341.10904	29.0
342.11154	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.5
57.03453	1.7
58.00597	3.6
59.01384	100.0
60.01715	0.8
62.25443	0.3
69.03474	0.3
69.07455	0.7
69.07874	0.8
71.01387	68.7
72.01742	1.1
72.99313	3.6
73.02950	2.0
75.00867	0.4
83.01398	2.1
85.02417	0.2
85.02544	0.1
85.02956	10.0
87.00880	4.4
89.02451	82.9
90.02788	0.9
94.63318	0.2
95.01395	3.8
97.02978	0.4
98.22582	0.4
99.00903	0.9
101.02453	31.5
102.02799	0.6
107.03525	0.3
113.02460	25.5
114.02782	0.9
115.04043	0.3
117.01954	0.2
119.03513	30.2
120.03867	0.5
121.39367	0.2
125.02449	0.8
131.03516	4.4
142.51450	0.2
143.03520	7.0
149.04579	2.8
161.04555	9.2
162.04977	0.3
179.05624	29.2
180.05946	1.0
267.07047	0.2
281.08755	0.3
341.10889	31.7
342.11197	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.2
55.48959	0.8
57.03440	2.3
58.00583	3.6
59.01383	100.0
69.38389	4.6
69.61995	0.8
70.28535	0.8
71.01388	69.8
72.01718	1.0
72.99303	2.3
73.02947	1.6
83.01387	2.3
84.92356	0.9
85.02957	10.0
87.00887	5.0
89.02453	98.2
89.51288	0.8
90.02777	0.9
95.01378	3.3
101.02458	30.6
113.02466	26.2
113.03268	0.9
119.03515	30.9
125.02459	1.0
128.40536	0.9
131.03522	5.2
143.03557	7.7
149.04568	2.5
161.04565	9.9
179.05620	34.0
180.05878	0.8
341.10910	34.9
342.11273	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.109
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52591	1.1
58.00595	3.5
59.01381	100.0
60.01720	1.4
69.68623	6.0
71.01384	74.2
72.01723	1.3
72.99305	3.1
73.02950	3.0
74.95980	1.1
80.94261	1.3
83.01390	1.6
85.02954	10.1
87.00887	4.5
89.02450	95.1
95.01381	4.6
96.29202	1.2
99.00836	1.2
101.02438	32.1
102.19713	1.5
111.89194	1.3
113.02454	26.3
113.03192	2.4
119.03510	36.2
131.03535	3.8
143.03497	8.7
149.04536	4.3
161.04604	8.4
174.37737	1.5
179.05620	29.8
341.10855	31.9
342.11221	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1242
Annotation	Myzodendrone
Peak:m/z	Relative Intensity
53.32989	0.6
59.01384	4.3
68.99821	0.6
69.73191	1.8
71.01387	7.5
73.02944	2.4
76.06942	0.6
85.02957	2.8
87.00875	12.3
89.02465	2.9
91.05549	1.0
93.03457	4.1
98.22504	0.9
99.00864	0.9
101.02433	3.0
106.70335	0.6
107.05042	1.2
113.02450	3.0
121.02954	10.5
135.04521	6.3
139.04053	0.7
148.01689	1.6
149.02440	4.8
161.02448	1.1
161.04590	1.1
163.04021	79.8
164.04802	77.1
165.05190	3.3
178.06363	23.2
179.07143	100.0
180.07468	5.1
217.27725	0.6
221.08253	1.6
251.05858	0.6
337.88373	0.7
341.08914	0.8
341.12720	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.8
59.30627	0.3
69.16736	0.3
70.93639	0.3
71.01373	0.5
80.58595	0.2
89.02462	0.3
109.02967	0.3
116.41717	0.3
119.05021	0.3
130.99092	0.3
135.04544	0.4
137.02428	1.4
163.04042	2.7
164.04803	100.0
165.05151	4.0
177.07327	0.3
179.07149	79.4
180.07495	3.8
189.01952	1.0
199.83003	0.3
214.26617	0.3
217.01428	0.4
341.06558	0.9
341.12335	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1396
Annotation	Drypetenone C
Peak:m/z	Relative Intensity
53.56261	0.4
60.55551	0.5
60.65337	0.4
69.19330	0.4
71.24163	0.5
81.87704	0.5
83.37737	0.5
85.16828	0.4
87.91380	0.4
93.97629	0.4
98.21803	1.0
99.55505	0.5
108.02173	2.3
109.02957	5.1
112.75127	0.5
121.02982	0.8
122.09064	0.5
123.04518	1.3
125.09722	0.7
133.42725	0.4
135.04500	0.6
137.02463	0.7
149.06094	0.5
159.04527	0.5
160.05270	1.5
163.03996	0.6
173.06050	1.9
173.11781	1.5
174.03304	0.9
174.06790	0.8
175.04056	2.7
175.07635	7.5
186.03273	0.6
187.04002	2.1
188.04834	3.7
189.05579	2.3
201.05559	3.2
202.06366	14.5
203.07147	7.6
204.07529	0.8
217.05107	1.0
223.04044	0.5
225.05521	0.5
227.03531	4.0
228.04076	1.1
237.09213	0.7
239.03455	1.0
240.04185	1.0
241.05057	1.9
241.08653	0.8
253.05095	1.3
254.05792	0.7
255.03027	1.6
255.10292	1.7
267.03030	0.7
267.10275	0.7
268.07401	1.2
269.04562	1.6
270.05310	0.7
281.04602	0.6
282.08908	0.8
283.09778	19.1
284.10083	1.7
293.08066	0.7
296.06836	2.1
296.09766	0.5
297.07913	0.9
297.11380	2.2
298.12122	2.4
308.10718	0.7
309.11426	1.3
311.09262	27.3
312.09436	2.3
325.10880	4.3
326.08478	1.4
326.11609	57.8
327.11896	5.5
341.13953	100.0
342.14291	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	341.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	11.7
68.66762	5.4
71.01381	11.9
71.29760	7.6
73.08915	4.3
78.50061	4.2
89.02433	7.4
97.06591	6.1
108.06153	4.3
114.07816	4.8
125.09755	11.6
132.25957	4.8
133.06566	6.9
135.04515	24.5
136.44171	5.5
149.05949	5.0
150.03209	13.6
161.06096	54.3
162.06870	89.9
163.07268	6.5
165.05482	5.2
171.10269	11.6
173.11829	14.8
174.06790	5.7
176.04790	6.3
177.09161	7.4
179.03467	10.6
185.08249	6.8
190.06320	18.1
205.06868	9.0
205.08701	100.0
208.07381	5.9
233.94194	4.8
279.19595	5.4
313.23569	7.2
328.31619	5.0
341.10477	10.3
341.13922	6.6
341.19675	26.7
341.23465	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	341.176
Annotation	Swartziarboreol C
Peak:m/z	Relative Intensity
55.93689	0.3
59.01383	1.9
63.02380	0.9
69.08716	2.6
71.01360	1.0
87.04510	0.9
89.02450	1.5
95.05029	0.3
98.21797	0.4
101.02458	0.4
107.08680	0.5
111.04509	1.0
113.02444	0.5
119.03532	0.7
135.04573	0.4
143.03464	0.5
151.03979	0.5
161.02444	0.4
162.03227	0.7
163.04019	0.4
175.03944	0.5
176.04774	0.4
179.05592	0.5
188.04884	0.4
189.05598	0.4
191.07126	0.6
203.03542	0.3
203.07224	0.3
205.08777	0.5
206.09386	0.3
213.09297	0.3
218.09595	0.6
221.08134	1.4
227.10767	0.5
231.06737	0.4
241.08690	0.3
246.08942	3.0
253.12358	2.2
255.10274	1.3
256.10953	0.8
269.11740	0.3
270.12601	1.1
271.13400	13.6
272.13684	1.3
283.06580	0.4
283.09943	0.6
283.13254	0.4
296.10876	0.3
297.11337	1.1
297.14844	0.4
297.18488	0.3
299.12531	0.3
311.12933	1.1
313.18192	0.9
323.16455	1.6
325.14447	2.2
326.15186	1.0
341.17575	100.0
342.17932	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	341.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	6.5
59.01376	7.7
59.20904	2.5
65.79980	2.9
69.03435	3.2
70.68998	3.0
71.01385	4.7
71.28157	2.5
71.28605	4.1
72.01086	2.7
75.18552	2.7
75.49995	2.7
83.05050	4.6
89.02473	5.4
95.05067	4.7
97.06595	13.4
102.60471	2.9
113.09804	2.8
113.26945	2.7
123.00916	13.4
123.08182	25.5
125.09731	100.0
127.67880	3.0
128.24030	2.5
141.09216	66.7
155.10783	49.8
159.10304	19.5
166.07167	2.9
173.11826	42.6
183.01216	3.5
188.37553	3.2
198.05679	5.2
216.06479	3.6
279.19653	32.2
297.20697	28.1
310.55597	3.1
341.19867	61.4
341.23923	5.1
342.20148	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.197
Annotation	2,3-Dkpgf1alpha
Peak:m/z	Relative Intensity
54.02774	0.5
57.03453	6.7
59.01382	0.7
59.27578	0.4
59.62895	0.4
65.37202	0.4
69.03471	0.8
69.66067	1.8
69.66497	0.8
71.05043	0.4
83.05027	1.6
85.19506	0.5
87.04561	0.5
95.05033	1.6
97.06596	18.3
108.02198	2.1
121.02943	0.7
123.04551	1.4
123.08160	10.2
125.09731	100.0
126.10062	3.5
134.03716	0.8
135.04436	0.7
143.10828	0.6
149.19215	0.4
152.23247	0.4
153.09232	0.7
159.04521	0.6
159.10231	0.6
160.05388	1.1
161.06010	0.6
163.03951	0.6
169.08716	3.5
171.10281	7.4
173.11835	0.8
187.09778	9.4
189.05534	1.0
191.07237	1.0
199.09634	0.7
204.04279	0.6
217.05037	2.7
265.08710	0.7
267.06732	1.0
279.19672	4.0
281.08197	1.1
282.05307	1.8
282.08984	2.7
283.09631	0.7
294.08963	0.9
297.08023	0.8
297.11322	6.6
297.20932	0.7
309.11282	1.2
311.05554	0.6
323.15167	1.0
323.18686	3.2
326.07898	1.2
326.11481	0.6
341.06607	1.6
341.10382	8.7
341.19693	61.1
342.10675	1.4
342.19962	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	341.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.4
59.95961	0.8
65.31319	0.9
66.52006	0.9
69.03449	4.0
70.86301	1.7
71.01382	2.3
75.90160	1.1
83.05022	1.5
88.10942	0.9
89.02448	1.1
89.92936	0.9
99.00918	1.0
101.96894	0.9
102.05602	1.4
108.56176	0.8
121.06616	5.0
123.08172	26.0
124.08533	1.4
125.09742	6.4
126.11125	1.0
127.05895	0.9
127.11298	3.6
130.99553	0.9
139.11316	1.0
141.09229	81.9
142.09554	4.0
155.10794	2.7
167.07123	4.6
171.10280	1.1
173.11838	100.0
174.12170	4.2
177.72316	0.9
183.13913	0.9
185.08199	50.6
186.08516	1.4
201.05664	1.3
264.11237	0.9
279.19687	3.8
282.09183	1.0
323.18747	3.7
341.19708	82.6
342.19986	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	341.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	10.4
59.01378	42.9
69.07551	48.0
69.80460	6.5
71.01374	19.3
71.05022	52.7
81.03455	42.6
83.05030	37.7
83.36403	6.4
87.00874	7.4
87.77956	6.6
89.02437	24.3
93.03471	6.4
95.05014	17.6
97.03000	8.3
97.06571	10.5
99.04520	57.7
101.02419	8.1
109.02905	9.1
109.06617	11.8
111.04529	9.1
119.03465	8.6
123.04588	8.0
125.09707	11.0
133.06580	8.5
135.04509	9.0
141.14642	6.4
151.07660	11.6
153.09282	10.9
161.04564	6.3
171.10269	49.2
179.05595	10.3
187.09601	8.0
190.26985	6.9
191.14409	14.4
193.12338	25.1
235.13443	65.0
238.77315	6.3
253.14417	100.0
287.16528	34.5
297.20749	21.1
305.17587	25.5
311.09433	8.0
323.18555	13.7
341.06555	8.8
341.10358	30.4
341.19717	42.6
342.10681	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30930	0.5
59.01375	1.3
61.70405	0.6
67.01857	0.5
69.03456	2.8
69.27693	2.4
71.01374	0.5
81.03452	1.0
83.05029	1.3
83.50463	0.5
84.02173	8.4
85.02502	0.6
86.32104	0.5
95.05043	0.8
97.02940	3.2
97.06598	13.0
99.04523	2.4
108.02184	1.3
109.02876	0.6
119.04971	0.5
119.08674	1.5
123.04495	1.4
125.09738	2.3
127.11273	0.6
135.08174	1.1
137.09697	1.6
151.11246	0.9
153.09178	0.9
163.00777	0.5
165.12886	1.0
171.10280	29.6
172.10628	1.3
175.11293	1.3
175.72153	0.5
177.12843	0.7
183.14006	0.6
185.11783	0.6
187.25479	0.5
189.05563	0.7
193.12344	15.1
194.12607	1.0
197.15460	0.6
211.13472	2.5
217.05029	1.5
218.86613	0.5
221.11867	1.5
225.14987	20.6
226.15294	1.3
242.30368	0.5
243.16029	8.1
244.97588	0.5
253.14467	2.0
282.05972	0.6
282.09219	0.7
283.09760	2.4
291.19583	3.0
297.07651	0.5
311.09210	2.0
323.22217	1.1
326.11523	2.5
341.10196	2.3
341.14072	6.2
341.23325	100.0
342.14560	0.7
342.23639	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	341.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.5
69.03450	1.6
71.01391	1.2
81.91009	0.8
84.01678	1.5
84.02171	26.1
89.02367	0.9
97.02956	11.0
97.06593	1.5
98.21810	2.5
99.04533	6.9
108.02177	12.4
108.94368	0.9
119.08638	2.4
120.91527	0.9
123.00871	0.9
123.04536	4.4
124.01647	1.0
125.09704	3.4
127.11262	1.7
133.03040	0.9
134.03732	1.3
135.08147	2.6
137.02426	1.7
137.09746	2.7
162.03217	2.3
171.10278	71.2
172.10608	3.5
175.04007	1.9
176.04683	1.7
188.87946	0.9
189.05550	4.9
190.06174	1.1
193.12271	1.7
217.05016	12.5
218.05360	1.5
225.14970	1.8
241.05013	1.4
243.15932	2.0
253.04884	1.0
255.06555	2.3
265.05194	1.1
267.03036	1.0
267.06619	1.7
268.03662	1.7
269.04382	2.1
283.06070	4.0
283.09229	1.2
284.06985	6.4
291.19666	2.1
299.09280	7.1
308.03513	1.2
311.08752	1.6
323.05743	2.4
326.07944	2.2
326.11496	2.1
341.06607	3.0
341.10184	26.0
341.13843	3.1
341.23334	100.0
342.10648	3.5
342.23660	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	341.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	8.5
59.01371	1.9
69.03454	1.3
71.01376	1.4
71.28301	1.0
80.02703	1.0
89.02473	1.7
95.05041	1.8
97.06598	18.8
108.02168	2.2
119.03526	1.0
121.02946	0.8
123.04486	1.2
123.08173	11.6
125.09736	100.0
126.10072	3.5
127.11292	2.5
135.02080	0.8
139.11252	1.7
141.09230	1.3
141.12874	1.8
153.12860	1.4
155.10684	1.7
159.10297	10.5
169.08707	3.2
169.12325	1.2
171.10318	1.2
173.11833	46.3
174.12192	1.9
179.03622	0.8
185.11839	81.6
186.12199	4.4
187.09782	3.4
191.07156	1.3
197.11877	1.4
199.13409	30.5
200.13788	2.1
215.12825	1.3
217.05054	2.9
263.72391	0.8
283.06116	31.2
284.06454	3.6
297.07791	1.2
311.05655	19.3
311.09067	1.5
312.05969	1.8
326.07996	25.5
326.11453	1.9
327.08374	4.1
341.07117	0.8
341.10379	18.8
341.14304	2.2
341.23340	68.8
341.26755	3.3
342.10623	3.5
342.23712	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	341.2699
Annotation	MEDICA 16
Peak:m/z	Relative Intensity
56.37730	0.6
57.03440	1.4
59.01373	1.9
71.01381	1.7
74.44432	0.5
76.98804	0.6
89.02446	1.6
89.86506	0.6
98.21710	1.3
113.02486	1.0
119.03505	0.6
179.05603	1.1
194.19855	0.6
251.23730	0.7
277.25351	0.9
279.26932	62.0
280.27243	7.6
297.28073	1.6
323.25925	22.2
324.26331	2.5
341.18170	3.2
341.26974	100.0
342.27322	10.8
353.62762	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.3061
Annotation	21-hydroxy-heneicosanoic acid
Peak:m/z	Relative Intensity
51.76605	1.4
59.01383	4.5
71.01387	2.4
71.27612	1.7
89.02467	3.2
93.17574	1.5
94.02604	1.4
101.02553	1.4
113.02518	1.6
119.03538	1.5
122.35099	1.7
147.31273	1.3
185.00780	5.2
267.05814	1.3
295.30032	2.1
311.96002	1.6
341.20084	9.3
341.30609	100.0
342.30948	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.3063
Annotation	21-hydroxyhenicosanoic acid
Peak:m/z	Relative Intensity
59.01383	5.1
67.61817	0.7
71.01369	3.1
71.05225	0.8
72.17043	0.8
89.02455	4.0
101.02435	1.4
112.98659	0.8
113.02409	1.7
119.03528	1.7
140.50795	0.7
179.05594	1.3
216.26953	0.8
267.27176	1.8
291.26947	1.1
293.28607	3.0
295.30075	64.8
296.30484	8.3
301.00467	0.8
316.40771	0.8
323.29581	1.3
341.30615	100.0
342.30920	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	342.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	91.0
70.88980	24.2
71.01383	42.2
72.97536	17.0
86.93716	14.9
89.02458	44.0
91.47737	14.4
94.62730	13.8
97.94183	13.4
101.02433	18.7
105.05992	13.0
107.34068	15.1
119.03542	23.5
119.05003	14.8
135.04521	33.3
137.06078	21.4
145.02933	31.2
152.56978	13.1
157.42598	13.4
163.04045	100.0
169.01396	14.4
179.03563	13.6
180.03935	15.3
181.05084	48.9
189.36029	11.4
282.06918	14.5
283.04718	18.4
343.10458	24.0
343.65372	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	342.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98195	0.3
67.27088	0.3
68.83646	0.3
97.06564	0.4
123.08178	0.4
127.05515	1.8
135.05304	0.3
142.06647	0.4
153.44519	0.3
171.10182	0.4
186.05644	4.7
198.05614	100.0
199.05959	4.4
211.06369	1.0
216.06662	23.4
217.06975	1.4
219.35574	0.3
244.00110	0.3
248.26375	0.3
254.75455	0.4
269.98074	0.8
280.13397	0.7
284.97040	0.3
297.97562	1.5
312.99942	1.8
314.80948	0.4
324.12579	1.0
328.02292	1.4
342.20096	0.9
343.00903	0.7
343.04727	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40482	1.0
52.84962	1.3
57.03453	6.6
59.01380	8.9
69.18545	6.3
71.01405	1.7
71.59367	0.9
80.02697	1.3
81.08183	1.0
83.05032	1.9
89.02454	2.0
91.05535	2.6
93.03448	1.8
95.05025	2.5
97.06593	24.0
104.34437	1.1
105.36963	1.1
106.04147	1.1
107.05051	8.8
108.02210	1.0
109.02946	3.4
109.06585	1.2
110.08770	1.1
119.05048	2.3
121.02977	4.0
123.00916	1.1
123.08189	11.8
125.09737	100.0
126.10073	3.3
135.04536	50.0
137.06099	16.5
145.88214	1.0
146.03731	2.2
148.05328	6.0
149.06113	10.5
151.04028	2.3
163.03993	1.9
163.07687	1.5
164.04866	1.3
169.08725	3.9
170.11815	1.3
171.10321	1.3
173.11841	2.6
181.05077	26.5
187.09776	4.5
195.06567	2.5
240.07953	1.4
269.98013	6.6
281.21158	2.8
285.00412	2.9
285.36282	1.1
297.97568	8.5
312.99908	13.6
325.20337	3.1
328.02280	15.3
342.22891	80.8
343.01010	1.5
343.05093	6.2
343.11890	41.3
343.22903	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	343.0095
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	4.2
69.31926	4.6
69.32332	2.9
71.05022	2.0
79.01550	1.1
81.03429	1.1
83.05025	2.3
97.02969	3.2
97.06616	2.0
98.49081	1.1
115.04012	6.1
123.08146	1.3
124.01733	1.5
125.06091	7.9
125.09730	3.7
127.11347	1.4
132.02173	2.0
136.01694	2.1
151.04051	5.9
153.51740	1.2
156.02180	2.8
157.08693	1.3
160.01711	7.0
169.05080	1.7
171.10333	1.5
173.11844	4.1
187.09755	5.7
188.01129	4.5
200.01215	8.1
216.00583	4.7
228.00642	1.5
241.35947	1.5
242.99564	1.2
244.00093	4.7
254.99374	2.6
257.00745	1.4
269.98065	10.7
270.98776	4.0
271.99493	1.6
283.99628	1.4
284.97232	1.5
285.00421	7.8
297.00409	2.4
297.97556	21.4
298.98257	9.9
299.01761	3.0
299.99112	13.0
310.98306	2.7
312.96344	2.5
312.99924	30.6
314.00244	1.6
325.20160	1.5
326.97815	5.1
327.01495	4.7
327.98581	100.0
328.02267	26.3
328.99045	7.1
329.02499	2.2
343.00894	49.3
343.04645	30.0
343.11569	2.1
343.17596	16.5
343.21429	5.5
344.01187	3.4
344.05017	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0372
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03820	0.1
59.01382	100.0
60.01722	0.9
60.39341	0.1
70.27593	0.1
70.82486	0.2
80.83775	0.1
82.95425	0.1
113.04596	0.5
115.02531	0.4
117.00425	0.1
120.31943	0.1
141.00494	0.1
147.47937	0.1
156.90860	0.1
157.03575	7.2
158.03729	0.5
159.01509	3.8
160.01677	0.3
185.01230	0.1
198.91940	0.2
201.02560	94.7
202.02708	7.2
234.40343	0.1
312.99811	0.1
343.03778	1.6
344.03848	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0374
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59317	0.5
54.18556	0.5
57.18148	0.5
59.01380	97.0
60.01721	1.1
71.01373	4.9
71.13211	1.0
73.02960	1.0
75.59094	0.5
76.14063	0.5
78.95880	0.7
85.02965	4.7
87.00898	1.6
89.02458	3.5
91.02883	0.5
93.03470	3.3
96.05122	0.6
101.02464	1.7
107.01400	0.9
109.02964	0.9
113.02464	2.0
119.03558	1.2
119.05035	6.1
120.04567	0.6
121.02982	4.4
125.02441	3.8
127.04069	1.1
135.37325	0.5
136.65317	0.5
137.02496	1.3
138.05618	0.8
157.03564	7.2
159.01509	1.7
162.88562	0.6
163.03967	0.7
164.03513	1.7
169.01424	8.9
173.04553	1.6
176.03214	0.6
179.05621	1.0
181.04973	1.0
191.05623	51.8
192.06033	1.9
196.05785	1.2
201.02556	100.0
202.02704	7.8
215.08966	0.6
219.02596	0.5
222.07307	3.4
223.07671	0.8
239.10046	4.9
281.10437	0.8
300.10806	1.1
311.09647	0.6
343.03467	1.4
343.06973	1.2
343.10812	0.6
344.09967	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0461
Annotation	3,4,3'-Tri-O-methylellagic acid
Peak:m/z	Relative Intensity
51.49342	0.3
69.00166	3.3
69.06193	0.3
98.21710	0.7
100.87057	0.4
130.00607	1.0
146.00041	0.9
148.56377	0.4
185.99629	1.0
197.99594	2.0
213.99100	1.5
220.15637	0.4
229.01389	0.7
241.98604	1.8
254.99376	1.7
257.00903	2.3
257.04535	0.5
269.00925	0.6
269.98074	37.9
270.98392	3.4
285.00427	16.8
286.00635	1.2
297.00430	0.5
297.97565	63.0
298.97913	5.0
311.99182	0.5
312.99921	89.0
314.00250	7.5
327.01505	0.7
328.02261	100.0
329.02579	8.7
343.04605	48.0
343.07703	1.4
343.11542	1.1
343.21240	0.9
344.04974	4.3
346.81186	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
68.94054	0.3
69.45828	1.8
69.68987	0.4
79.81596	0.3
80.09732	0.4
83.84174	0.4
98.21850	0.5
108.02157	0.8
116.08018	0.3
123.04474	0.7
123.08165	0.4
125.09698	0.9
130.00571	0.9
132.90521	0.4
137.09715	0.7
139.11284	0.4
145.99997	0.5
155.01372	0.5
171.10260	0.8
173.99602	0.6
185.99512	0.7
197.99622	2.7
199.09778	0.5
213.99121	1.6
219.06583	0.8
225.99059	0.4
226.99940	0.5
229.01425	0.6
232.89357	0.4
241.98584	2.2
254.99306	2.6
257.00937	2.9
263.20203	0.6
269.00800	0.8
269.98068	42.0
270.98380	2.8
282.98886	1.0
283.99658	0.7
285.00427	18.0
286.00766	1.1
297.00623	0.6
297.97552	73.4
298.97906	5.5
299.01450	0.6
307.19125	0.5
312.99918	96.1
314.00253	7.7
325.20218	0.4
327.01401	0.8
328.02249	100.0
329.02609	9.5
343.04596	49.7
343.11530	0.8
343.15729	0.9
343.21210	7.4
344.04956	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	343.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39305	0.3
59.01369	0.4
67.67894	0.3
69.35131	1.5
69.35546	0.9
83.05009	0.4
97.51688	0.4
98.33743	0.4
108.02187	7.5
109.02966	0.4
123.00877	0.6
123.04557	3.9
125.02443	0.9
125.09740	0.7
129.00214	0.5
130.00615	0.8
135.04523	0.3
136.01649	1.4
137.02385	0.4
146.00047	1.2
149.06056	0.8
151.04045	1.8
162.03230	0.5
171.10287	2.1
173.99556	0.5
177.05551	1.6
185.99608	1.3
191.07164	0.9
197.99448	1.8
211.13365	0.4
213.01874	0.6
213.99107	0.8
219.06674	6.2
221.54707	0.4
226.99867	0.3
229.01456	0.6
237.06076	0.4
241.98549	2.0
254.99394	2.0
255.06895	1.0
257.00854	2.3
269.00967	0.8
269.98068	38.9
270.98486	2.1
283.99527	0.7
285.00433	18.5
286.00836	1.0
295.09927	0.6
297.00397	0.5
297.97565	64.4
298.97943	4.1
299.01498	0.6
311.99234	0.7
312.99921	97.9
314.00253	7.0
325.19836	0.4
327.01498	0.8
328.02252	100.0
328.12750	2.5
329.02625	9.3
343.04605	47.8
343.11725	2.9
343.15424	4.4
343.21191	0.7
343.24722	2.7
344.04843	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	343.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28205	2.6
59.01390	4.2
70.60873	5.8
75.09850	2.4
83.05022	2.9
97.06564	2.8
125.09724	7.0
141.55298	2.4
171.10310	7.0
187.09816	3.5
192.77823	2.7
201.11253	3.7
212.48166	2.6
257.00925	5.7
269.01007	4.4
269.98083	31.5
270.98618	3.5
277.03790	2.8
283.99680	3.9
285.00507	18.3
297.00314	5.9
297.97568	62.0
298.98129	6.7
299.01996	7.9
299.99115	4.3
307.19452	2.7
312.99924	97.8
314.00082	5.4
325.20099	3.1
327.01495	9.5
327.98523	32.9
328.02252	82.6
328.06134	5.2
329.02386	5.2
343.00879	17.7
343.04587	100.0
343.11771	7.6
343.17664	8.4
343.21286	14.7
344.04898	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	343.0614
Annotation	Balsaminone A
Peak:m/z	Relative Intensity
51.43005	1.2
58.83042	1.2
59.01384	5.6
69.03472	1.3
69.38280	6.8
97.06620	3.2
101.62439	1.2
107.05047	1.2
107.57385	1.4
111.08197	4.6
113.06143	1.3
125.09732	7.4
136.96498	2.2
155.10818	1.2
167.33443	1.2
171.10361	4.1
173.11862	3.4
183.10373	2.5
187.09782	2.9
197.99741	1.6
201.11417	2.7
201.32025	1.4
208.05197	2.5
213.11424	2.7
220.05321	1.2
228.05885	2.3
232.05432	4.6
235.04008	15.8
236.04782	6.9
239.03671	1.5
241.98688	1.9
244.05367	9.2
248.04927	5.2
256.05304	21.0
257.01031	1.9
257.05484	1.8
259.03995	23.6
260.04803	10.8
263.03476	2.5
264.04514	3.5
265.18369	1.5
269.98090	23.9
270.00729	1.8
272.04938	4.0
276.04370	3.0
283.19241	5.0
285.00433	10.5
286.01038	1.6
288.04413	7.7
297.97552	40.9
298.97961	2.8
300.04288	17.2
301.04593	1.6
304.03751	2.6
312.99908	52.9
314.00476	4.5
315.19116	1.4
325.20248	2.3
327.03040	10.8
328.02219	60.6
329.02853	2.4
343.06180	100.0
343.21484	15.1
343.25168	5.6
344.06528	8.4
344.97452	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0672
Annotation	Theogallin
Peak:m/z	Relative Intensity
59.01380	38.1
61.01818	0.7
62.30244	0.6
66.99246	0.6
67.01883	2.2
69.03437	1.8
70.77293	0.8
70.77624	0.9
71.01382	5.5
81.03452	1.2
83.05014	0.9
85.02965	5.8
87.00887	1.8
89.02454	4.0
90.02808	0.7
93.03458	13.3
97.02965	1.0
99.04607	0.8
101.02443	1.5
107.01406	7.3
109.02953	1.1
111.00845	1.5
111.04526	3.0
113.02457	2.0
119.03474	1.3
125.02454	48.6
126.02790	1.4
127.04057	1.5
129.56259	0.6
137.02443	3.9
143.03497	1.0
155.03516	2.8
157.03568	2.5
159.01489	0.7
169.01437	100.0
170.01755	3.8
171.03073	0.8
172.82645	0.7
173.04559	22.8
179.05554	0.8
181.05025	0.7
191.05623	21.7
191.87630	0.6
193.01421	0.8
201.02565	32.1
202.02763	2.2
209.85948	0.6
226.78474	0.6
301.40045	0.6
343.06750	15.4
343.10901	1.5
344.07159	1.4
364.65204	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	38.1
61.01818	0.7
62.30244	0.6
66.99246	0.6
67.01883	2.2
69.03437	1.8
70.77293	0.8
70.77624	0.9
71.01382	5.5
81.03452	1.2
83.05014	0.9
85.02965	5.8
87.00887	1.8
89.02454	4.0
90.02808	0.7
93.03458	13.3
97.02965	1.0
99.04607	0.8
101.02443	1.5
107.01406	7.3
109.02953	1.1
111.00845	1.5
111.04526	3.0
113.02457	2.0
119.03474	1.3
125.02454	48.6
126.02790	1.4
127.04057	1.5
129.56259	0.6
137.02443	3.9
143.03497	1.0
155.03516	2.8
157.03568	2.5
159.01489	0.7
169.01437	100.0
170.01755	3.8
171.03073	0.8
172.82645	0.7
173.04559	22.8
179.05554	0.8
181.05025	0.7
191.05623	21.7
191.87630	0.6
193.01421	0.8
201.02565	32.1
202.02763	2.2
209.85948	0.6
226.78474	0.6
301.40045	0.6
343.06750	15.4
343.10901	1.5
344.07159	1.4
364.65204	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32484	1.4
70.09611	1.6
71.30100	1.5
77.45952	1.5
123.57121	1.5
125.09743	2.8
125.14873	1.5
157.37640	1.5
165.01947	8.7
187.09802	2.0
198.03200	4.8
210.03264	2.1
213.05580	2.2
214.02751	6.0
226.02812	8.0
227.03123	2.3
231.82579	1.5
241.05055	2.7
242.02203	17.6
245.00964	2.1
254.02164	16.0
255.02763	3.7
257.04559	12.1
269.04572	15.5
269.98019	4.1
270.01703	9.6
270.04358	1.9
285.03995	10.9
297.06244	1.6
297.97632	5.7
298.00912	2.9
299.05505	3.3
313.00046	7.7
313.03503	100.0
314.03925	7.1
327.04999	1.5
328.02176	9.4
328.05838	58.4
329.06262	5.3
343.04526	4.3
343.08231	45.4
343.11826	3.0
343.21136	4.4
343.24994	2.9
344.08679	4.1
363.52985	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01323	0.9
69.23546	4.8
70.04816	0.7
97.06554	1.7
108.02176	9.5
109.02888	0.8
111.04498	0.9
121.02898	0.8
123.04507	4.7
125.09719	4.6
135.04495	1.1
136.01677	1.3
149.02402	1.6
149.06006	1.6
163.03981	1.0
171.10196	0.9
177.05507	1.6
179.03500	1.6
187.09657	1.5
191.07166	1.3
213.05592	1.2
214.02681	1.7
219.06659	7.1
226.02722	1.2
229.05130	1.4
240.04431	0.9
241.01447	2.1
241.04945	1.5
242.02188	15.1
243.02402	0.9
245.00888	2.9
254.02048	1.0
255.02945	0.9
257.04523	2.3
267.77567	0.8
269.98532	1.3
270.01718	21.5
271.02036	1.9
271.06107	1.5
272.06677	1.0
275.79700	0.8
285.00842	1.7
285.04056	35.6
286.04321	2.1
287.09293	3.4
297.97552	2.8
298.01227	4.0
299.01913	0.8
313.00266	4.6
313.03549	100.0
314.00592	1.2
314.03888	8.9
315.08804	2.1
325.10779	0.9
325.20230	0.8
328.02234	3.8
328.05862	33.4
329.02716	0.9
329.06210	3.2
343.05078	2.8
343.08243	66.2
343.11771	4.6
343.21094	6.2
344.08530	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	343.0825
Annotation	(-)-Usnic acid
Peak:m/z	Relative Intensity
50.92994	1.4
51.46394	1.4
53.83767	1.4
64.57990	1.3
67.27248	1.4
74.94692	1.4
83.01395	92.5
91.76143	1.8
104.61032	1.7
145.06639	1.6
189.05568	6.9
189.21683	1.7
203.07118	3.6
213.05527	4.3
215.03526	9.2
216.04237	1.9
229.05057	4.8
231.06639	51.4
232.06966	2.9
255.06703	4.4
257.04660	7.2
259.06128	49.3
260.06506	3.2
269.04547	5.6
269.98099	2.6
283.06421	1.6
285.03979	2.5
286.04767	2.2
299.09183	12.3
301.07190	4.8
313.00058	3.7
313.03534	39.5
314.00449	1.9
314.03940	2.1
328.02878	4.0
328.05930	92.2
329.06284	6.1
343.08264	100.0
343.21204	2.1
343.24908	4.3
343.28552	2.1
344.08673	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	343.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25319	0.4
56.85378	0.5
59.01093	0.9
59.01382	17.1
69.50830	2.3
71.01395	3.2
72.74265	0.5
72.99310	0.7
78.93953	0.5
85.02950	0.8
89.02449	3.7
93.03513	0.5
95.05067	0.7
96.27290	0.5
101.02440	1.5
103.22328	0.5
109.02966	4.9
109.06589	3.2
113.02435	1.0
119.03474	1.0
119.05026	3.8
121.02962	5.5
122.03731	1.4
135.04532	4.9
137.02461	0.6
137.06099	25.2
138.06441	1.1
143.03514	0.7
153.01962	1.1
163.03996	2.1
166.02725	17.7
167.03165	0.5
168.66086	0.5
181.05078	100.0
181.08545	2.0
182.05414	4.8
190.00150	0.5
339.96667	0.5
343.10355	14.8
343.14410	1.2
344.10773	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1036
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
57.78893	0.5
59.01380	14.7
65.96994	0.5
67.01891	0.9
71.01378	0.7
81.03474	0.7
83.79508	0.5
87.00880	0.7
89.46130	0.5
93.03482	0.7
95.01405	1.0
95.05025	0.7
99.15051	0.6
107.05009	0.6
108.02219	0.6
109.02959	8.2
109.06587	3.1
111.00890	0.7
118.98074	0.7
119.05032	4.3
121.02967	6.7
122.03739	1.0
123.00909	8.5
124.01662	0.8
125.02522	0.6
127.00403	0.7
135.04543	4.9
136.98750	0.6
137.02477	2.2
137.06100	30.6
138.03235	10.4
138.06406	1.0
138.17960	0.5
139.00395	0.9
153.01981	0.7
153.05594	8.3
166.02710	2.2
166.99866	2.7
167.01112	0.5
169.05400	0.5
177.01947	0.6
181.05084	100.0
182.02240	9.7
182.05316	3.5
183.02631	0.6
191.99666	0.5
197.04576	26.9
198.04883	1.1
256.26694	0.5
267.39719	0.6
343.01343	0.6
343.10321	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	343.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	1.0
65.00327	1.4
67.01894	2.0
69.25979	4.0
70.20642	0.7
71.01382	2.8
73.02953	1.4
75.72247	0.7
80.26164	0.6
81.03448	1.9
83.01382	2.1
87.00875	3.0
93.03448	0.8
95.01421	2.8
98.22547	1.1
100.49615	0.6
107.01389	1.4
108.02188	2.6
109.02979	2.1
111.00891	1.8
112.98785	1.2
122.00137	1.1
123.00890	32.2
123.04462	0.8
124.01740	0.9
125.02459	0.9
125.99591	1.4
127.00371	1.8
136.98824	1.4
137.02469	8.1
137.99664	1.2
138.03246	34.4
139.00368	2.7
139.03705	0.8
141.01924	1.4
147.93173	0.6
153.01964	1.7
153.05585	30.5
154.02713	0.9
155.03487	0.9
165.01923	1.8
166.99860	11.3
169.01561	0.9
170.05669	0.6
181.01402	1.3
182.02226	33.9
183.02603	1.2
197.04564	100.0
198.04878	4.4
208.92957	0.9
343.01096	0.8
343.10281	9.2
344.10672	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1037
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
55.01891	0.5
57.03432	0.6
59.01372	1.6
71.01391	0.8
71.05025	2.5
74.02504	0.5
79.01901	1.1
81.03470	1.0
83.01398	1.3
93.03468	0.5
95.05040	6.4
97.02935	2.4
109.02956	0.5
120.99607	0.7
121.02962	1.6
122.03773	1.4
126.23466	0.4
135.04604	0.6
136.56889	0.4
137.02457	0.7
137.06104	23.7
138.06447	1.0
139.04036	14.1
155.10764	0.7
163.04034	1.0
165.01947	1.8
177.05675	0.9
181.05089	100.0
182.05415	4.8
205.05038	1.3
222.53510	0.4
223.06158	1.4
269.11014	0.4
343.11517	0.6
343.21225	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95802	0.5
57.07790	0.4
67.09135	0.5
69.55040	2.5
72.99271	0.6
81.03465	0.9
82.96230	0.5
83.45807	0.5
85.08064	0.4
93.60812	0.5
106.37585	0.4
108.02185	100.0
109.02509	1.9
119.54061	0.5
121.06638	1.0
123.00867	0.8
123.04539	55.3
124.04877	1.9
133.06615	1.6
135.04507	0.8
136.01746	1.1
147.08107	0.6
148.05316	3.4
149.06100	27.9
150.06419	0.9
151.04033	1.8
161.02518	0.6
162.03241	3.4
163.03983	1.4
163.07620	0.6
164.04829	1.2
172.07254	0.4
173.06233	0.5
175.07686	1.1
176.04865	2.7
177.05586	20.9
178.05989	0.8
178.29762	0.4
182.08447	0.4
191.07170	11.2
204.04276	1.6
219.06638	86.3
220.06953	5.5
269.97922	0.5
271.22629	0.6
297.97574	0.8
298.66531	0.6
312.99969	1.0
313.03476	0.8
328.02374	1.3
328.05862	0.8
343.04980	0.6
343.08377	0.7
343.11874	12.5
343.15546	2.0
343.21420	1.9
344.12326	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1188
Annotation	Carpinontriol A
Peak:m/z	Relative Intensity
57.03447	1.6
59.01381	18.8
65.18333	1.1
68.42036	1.0
71.28136	1.3
81.03441	1.5
83.05016	3.3
85.06605	2.1
91.05544	5.3
93.03441	3.1
93.67414	1.3
95.05014	2.1
97.06599	2.3
107.05035	18.7
108.02181	55.9
109.02979	12.3
109.06591	5.6
113.09712	1.3
119.05019	5.0
121.02967	10.1
121.06599	1.4
122.03770	2.2
123.00850	1.3
123.04528	29.5
123.08155	2.7
124.01676	2.9
125.09718	11.7
126.10042	2.3
127.11234	1.3
133.18291	1.2
134.03693	1.3
135.04533	100.0
136.01656	2.2
136.04892	3.8
137.02435	1.4
137.06093	32.6
140.78462	1.1
141.09253	1.9
146.03738	5.2
147.04529	2.7
148.05319	13.4
149.02435	1.2
149.06094	28.4
150.03186	3.1
151.03996	8.8
162.03215	3.2
163.04059	5.2
163.07632	3.6
164.04807	1.9
169.08757	1.6
171.10251	4.8
173.10687	1.3
173.11865	14.0
175.07484	1.1
176.04800	1.3
176.08415	2.5
177.05609	11.8
181.05078	51.5
182.05345	1.4
187.09778	16.1
191.07164	7.4
193.05081	1.9
195.06660	7.5
199.13344	1.4
204.04257	1.3
219.06635	47.2
220.07010	1.9
239.07098	2.2
240.07947	2.9
263.20187	1.7
269.98074	7.3
285.00415	2.0
285.03946	1.6
297.97604	10.2
310.08307	1.9
312.99838	16.2
313.03635	3.9
325.10892	3.1
325.14398	1.9
325.20221	3.0
328.02194	17.0
328.05911	8.4
328.09198	2.0
329.02557	1.7
342.23462	1.4
343.04642	7.0
343.08243	9.4
343.11850	99.6
343.20944	24.6
344.12164	8.1
344.21542	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1189
Annotation	Chushizisin F
Peak:m/z	Relative Intensity
59.01372	1.9
64.14412	1.6
84.13586	1.6
96.83633	1.6
105.79472	1.6
108.02168	2.8
109.02991	2.3
121.02944	5.2
123.04588	2.1
133.03017	1.7
135.04562	2.6
137.02397	1.7
143.05043	2.1
145.03008	9.8
146.03735	7.1
147.04533	6.5
158.03749	23.6
159.04504	4.1
161.06081	5.0
165.05597	8.9
176.04878	2.6
177.05655	2.5
178.06351	3.1
188.04686	1.7
189.05653	5.0
207.06636	7.4
223.07477	1.6
235.07668	4.6
236.08368	2.0
238.06297	1.9
247.07610	2.2
251.07162	3.2
254.05583	2.1
254.09473	11.9
263.07040	6.4
264.07700	1.9
265.05304	2.2
265.08719	8.6
268.07346	4.5
271.09814	2.5
275.07117	4.5
276.07925	3.8
277.08652	3.8
279.06656	6.3
280.07428	18.6
281.08304	9.6
282.08920	10.5
283.09665	5.3
291.06665	3.4
292.07422	7.7
293.08218	8.8
294.08963	25.7
295.09778	42.9
296.10120	3.4
297.07730	3.4
298.08307	4.4
299.02072	11.2
307.09760	1.8
309.07718	29.9
310.08463	42.4
311.08957	4.8
313.10828	18.0
325.10837	100.0
326.11133	9.7
343.00922	5.7
343.11859	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81400	0.5
57.03446	0.6
59.01395	2.4
95.49404	0.5
103.38601	0.5
107.05045	1.5
108.02193	2.2
109.02979	2.4
109.06651	0.5
119.05037	0.6
121.02987	4.1
122.03754	1.2
123.04539	1.6
123.08224	0.6
125.09715	1.7
127.11287	1.2
133.02924	0.9
134.03760	7.8
135.04535	11.1
136.01631	0.6
137.02457	1.0
137.06093	2.9
139.11259	0.5
141.09209	0.6
143.01608	0.5
145.02962	0.9
146.03726	0.9
147.04526	1.4
148.05293	1.5
149.02441	0.5
149.06097	3.7
150.03255	1.0
151.04002	1.8
151.45190	0.5
155.10771	1.0
157.12445	0.4
159.04478	0.5
160.05289	1.7
161.06023	0.6
162.03250	1.9
163.04028	2.7
163.07608	0.9
171.10265	1.3
173.06050	0.8
175.04024	1.3
176.04858	0.6
177.05600	1.1
181.05086	4.7
185.05948	0.5
186.06827	0.7
187.04036	1.4
188.04822	3.4
201.11302	1.4
202.06229	0.5
206.05853	2.1
207.06593	0.5
207.83047	0.5
213.05528	1.8
219.06609	1.7
220.07347	1.5
225.05516	0.9
237.05525	0.6
238.06374	1.7
239.07126	4.3
240.07587	0.6
241.05031	3.7
251.07118	0.7
253.04997	0.6
254.05785	1.0
255.06654	7.2
256.07416	11.7
257.07858	1.6
263.20193	1.7
265.08615	1.0
266.05756	0.6
267.06625	2.4
268.07501	1.1
269.04688	1.0
269.08105	0.8
270.05347	0.7
271.06155	0.7
271.09720	3.4
281.08194	2.1
281.21179	3.3
282.08966	4.0
283.06009	2.0
283.09485	1.2
284.06943	12.6
284.10077	0.7
285.07626	3.4
294.08829	0.5
297.11340	1.5
297.20908	0.6
299.09299	0.8
299.22263	5.2
307.19308	1.6
309.07693	1.0
310.08441	4.2
311.05502	0.5
311.09036	1.2
313.07251	4.1
325.10864	6.9
325.20227	3.2
326.11124	0.6
327.08716	2.4
328.02563	0.6
328.09476	4.8
329.09985	0.8
343.11893	100.0
343.21201	36.9
344.12265	10.7
344.21564	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	343.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48950	1.0
65.64273	0.9
68.82572	0.8
69.08193	0.9
69.13850	7.1
69.14243	2.1
85.69499	1.1
108.02187	55.9
109.02945	3.4
121.02985	1.8
122.03769	1.1
123.04539	31.9
124.04865	1.6
134.03749	2.3
135.04558	1.5
137.02513	1.1
146.03777	1.5
147.04591	1.3
147.76665	0.9
148.05321	2.4
149.06067	1.7
150.03162	1.1
151.03987	1.2
155.04977	1.1
159.04506	1.4
161.06085	1.2
161.07304	1.0
162.03241	1.9
163.04028	2.8
164.04733	1.2
173.06081	5.3
175.04002	2.0
176.04820	6.0
177.05569	3.6
188.04787	1.3
189.05505	2.9
190.06299	2.1
191.07149	6.9
201.05623	4.7
202.06183	1.0
211.07639	4.3
212.04810	1.4
213.05588	1.7
219.06633	45.8
220.06866	2.5
225.05531	2.2
226.06250	1.0
227.07109	3.0
238.06470	1.0
239.07155	4.0
240.04294	2.0
253.04964	1.0
253.08743	1.1
254.05872	1.9
254.09471	1.1
255.06621	12.1
256.07028	2.7
265.04999	1.0
266.05725	1.2
267.06552	2.0
268.07385	1.1
269.04535	3.7
269.08151	2.6
270.04767	1.2
270.08838	2.4
281.08163	4.4
282.05386	13.8
282.08594	1.5
283.06064	9.2
284.03793	1.7
284.06900	9.1
285.07538	2.1
285.11047	1.3
293.08148	1.6
297.04297	2.2
297.07706	36.1
298.08432	15.2
299.09222	13.3
300.09897	2.2
309.07541	1.6
310.08487	7.3
312.99979	1.7
313.07370	2.0
313.10800	36.9
314.11078	3.1
325.10849	10.9
326.11145	1.8
328.09540	88.8
329.09842	7.4
336.04117	1.2
343.11871	100.0
343.21143	4.2
344.08655	1.4
344.12262	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.0
69.07936	3.9
69.08343	6.6
85.02995	1.5
91.89566	1.2
93.03419	1.7
98.21804	3.3
108.02183	100.0
109.02959	4.9
119.05086	2.0
121.02956	9.5
122.03787	3.4
123.03632	3.1
123.04532	48.2
124.04875	1.9
125.02456	1.4
133.03001	3.0
133.06624	1.7
134.03763	13.8
135.04518	7.1
137.02434	4.9
145.02980	4.1
146.03697	2.9
147.04541	4.0
148.05296	3.8
149.02473	2.8
149.06079	13.6
150.03221	2.5
151.03998	2.3
158.03748	6.3
159.04506	4.2
160.05313	3.1
161.02458	3.4
161.05978	1.5
162.03261	12.9
163.04007	9.7
165.05527	2.1
171.04509	1.7
172.05344	2.8
173.06004	2.8
175.04013	5.9
176.04793	10.4
177.05580	23.1
187.04012	4.8
188.04826	9.9
189.05475	3.4
191.07138	9.5
197.05960	1.5
201.05556	2.2
202.06346	2.8
209.06146	1.6
211.13164	1.4
219.06647	70.9
220.06992	4.3
221.08086	2.5
225.05583	1.7
227.07230	1.7
235.07755	1.7
237.05475	3.0
238.06425	2.0
239.07050	4.7
240.04327	3.3
241.05104	4.8
251.07100	3.2
252.07971	2.2
253.08818	3.0
254.05820	2.1
255.06668	6.1
256.07181	1.8
263.07129	6.0
264.08008	3.0
265.05032	4.5
265.08887	2.0
266.05829	3.4
267.06641	9.9
268.07162	2.5
269.04712	6.5
269.08209	5.3
270.09052	3.9
279.06628	6.2
280.07437	13.2
281.08389	7.6
282.08951	4.2
283.06143	12.4
283.09259	2.4
284.06870	24.0
285.07541	2.9
291.06708	2.1
292.07446	3.4
293.08130	6.7
294.09052	2.7
295.06238	5.8
295.09793	21.6
296.10175	3.1
297.07529	2.1
297.11389	1.4
297.97614	1.6
298.08392	5.2
299.09277	21.4
300.09625	2.9
309.07730	11.7
310.08481	33.5
311.08997	5.4
312.99969	3.5
313.07379	2.4
313.10849	29.0
314.11230	2.5
325.10828	53.0
326.11197	4.6
328.02206	2.2
328.05841	2.0
328.09512	3.4
343.11880	86.0
343.21130	13.9
344.12186	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	343.14
Annotation	Taxuside
Peak:m/z	Relative Intensity
50.90210	0.2
55.01875	0.3
57.03447	0.3
59.01096	0.4
59.01382	6.9
65.03951	0.3
71.01390	3.1
71.29231	0.4
72.99302	0.3
73.02941	0.4
83.01373	0.4
85.02968	1.2
89.02441	2.0
93.03486	2.2
94.79352	0.3
95.01389	1.0
101.02446	2.1
108.02191	0.8
109.02969	1.0
111.04528	0.5
113.02461	1.1
119.03509	0.9
119.05067	0.3
121.02953	0.6
122.03752	9.8
123.00893	8.9
123.04569	0.4
124.01688	4.5
135.04510	0.6
136.05321	2.7
137.02452	16.6
137.06100	2.3
138.03261	4.6
139.04036	3.4
148.05280	0.3
154.02736	1.0
154.78207	0.3
161.04593	0.4
163.03966	0.4
163.07661	0.7
165.05605	0.7
166.06378	0.7
176.00162	0.3
179.07169	0.5
179.97337	0.2
180.04311	3.1
181.01443	0.8
181.05408	2.8
181.08713	100.0
182.09041	5.2
191.07198	0.3
193.05009	0.3
212.84300	0.2
276.83289	0.3
283.08264	1.1
343.01208	0.5
343.06671	0.4
343.10489	2.1
343.13776	2.0
344.10776	0.4
356.85086	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.155
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33558	0.4
61.90523	0.4
67.01902	1.1
67.26151	0.4
68.99803	0.9
69.09408	3.4
70.52811	0.4
71.16704	0.4
71.84251	0.4
79.90091	0.5
79.93945	0.4
83.01442	0.4
90.10955	0.4
93.03477	1.0
95.01397	1.5
101.48640	0.4
105.07089	0.5
108.02181	7.4
109.02966	16.3
111.00893	3.1
112.51540	0.5
116.18352	0.4
119.05061	0.8
119.08694	1.4
121.02982	1.4
123.00890	12.3
123.04524	2.6
124.01687	8.9
125.02461	1.0
131.08681	1.3
133.06602	2.1
134.03740	3.6
135.04558	0.9
136.01669	88.4
137.02483	16.4
138.03192	0.5
139.00380	0.8
146.03726	1.4
147.08195	1.5
148.05296	3.5
149.06097	7.6
151.04019	100.0
152.04315	3.5
157.06673	0.9
159.04523	0.9
160.05304	5.7
161.06090	1.7
162.03218	1.8
163.04016	4.1
163.07646	1.9
164.04839	2.7
165.04195	0.7
165.05580	11.3
166.05850	0.6
167.03494	1.1
173.06142	2.2
174.06886	0.9
175.07646	17.8
176.08412	4.9
177.09160	0.8
178.06429	1.2
179.07193	1.0
186.06876	1.0
187.07701	0.7
191.07152	6.0
191.10837	1.0
192.07565	0.5
203.07156	1.3
219.06642	1.0
225.05644	0.5
267.10275	0.6
270.97406	0.5
279.06879	0.6
280.07440	1.8
284.06680	0.5
295.09778	5.3
310.12091	4.9
313.10880	0.6
325.14365	6.9
326.14911	0.9
328.02286	0.6
328.13171	18.9
329.13409	1.2
333.00214	0.5
343.11783	6.7
343.15475	53.3
344.12183	0.7
344.15829	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	343.155
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80940	0.6
59.01384	2.1
61.46080	0.6
67.01890	1.0
68.99811	1.6
72.99317	0.7
83.01382	1.1
93.03492	1.2
95.01394	2.5
108.02168	7.8
109.02972	15.9
111.00893	5.7
111.08183	2.7
119.08659	0.8
121.02995	4.4
123.00895	23.6
123.04520	3.2
124.01694	16.2
125.09689	1.6
131.28493	0.7
133.06589	1.9
134.03749	5.2
135.04568	4.1
135.05411	0.7
136.01672	84.0
137.02496	14.3
138.03253	1.4
139.00331	1.4
146.03798	1.2
147.08167	1.0
148.05351	4.1
149.02443	1.1
149.06102	9.3
151.04021	100.0
151.90836	0.7
152.01355	0.6
152.04324	3.3
160.05281	5.3
161.06105	1.5
162.03229	4.7
163.04027	35.2
163.07626	3.4
164.04785	5.3
165.05586	25.5
167.03481	0.7
173.06093	1.4
173.08247	0.9
175.07654	14.6
176.08397	4.8
177.05547	0.8
179.07137	2.9
186.06883	1.4
187.07594	0.8
187.09868	1.1
188.04790	0.7
189.05595	1.3
191.07169	11.6
191.10809	1.1
203.07135	2.9
219.05862	0.7
238.74376	0.7
252.07964	1.1
267.10233	0.8
268.07361	1.0
269.08139	1.3
280.07458	2.9
283.09753	1.3
295.09766	5.2
299.12772	2.6
299.22403	1.1
307.19098	1.0
310.12054	6.1
313.10834	2.2
325.14548	6.5
325.20261	3.3
328.09198	1.5
328.13159	31.7
329.13409	2.8
343.11777	8.9
343.15488	86.6
343.21201	8.7
344.12238	1.2
344.15814	8.1
344.21844	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.155
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.7
59.89727	0.6
67.01926	1.2
68.99840	0.7
70.15661	1.4
70.16062	1.4
71.05030	1.1
72.99323	0.8
79.70376	0.7
81.50523	0.6
83.01395	1.1
85.69353	0.6
93.03448	0.7
95.01415	2.8
97.06621	1.4
107.01480	0.9
108.02193	8.2
109.02966	14.5
111.00886	5.5
111.08170	1.8
119.08675	1.3
121.02977	4.2
123.00898	18.3
123.04533	4.2
124.01678	16.5
125.09748	4.4
131.08658	1.2
133.06616	2.1
134.03725	4.6
135.04565	4.2
136.01671	86.2
137.02487	14.2
138.03090	0.8
139.00400	1.7
146.03737	1.1
147.08208	0.8
148.05328	5.1
149.02446	1.0
149.06093	10.0
151.04016	100.0
152.04370	4.0
155.14394	1.0
157.06728	0.7
159.04533	1.1
160.05263	4.2
161.06091	1.6
162.03223	4.5
163.04024	32.9
163.07664	3.6
164.04823	5.9
165.05580	21.0
165.06656	0.6
167.03453	1.3
168.41629	0.7
173.06064	2.2
173.08162	1.3
175.07640	15.1
176.08441	4.7
177.05562	0.9
177.09152	1.1
179.07120	3.1
187.07649	1.1
187.09644	1.0
189.05556	1.1
190.06454	0.7
191.07153	10.0
192.07422	0.8
199.09789	0.9
203.07091	3.5
205.08635	0.9
219.06668	1.0
253.21710	0.8
255.06979	0.6
265.05408	0.7
266.09415	0.9
267.10211	0.8
269.08267	1.1
280.07455	2.0
281.21292	3.4
283.09598	1.2
295.09714	4.6
299.12698	1.8
299.22253	7.9
300.22491	0.8
307.19180	5.4
310.12158	5.3
311.09134	0.8
312.99918	1.2
313.10837	1.8
323.44623	0.7
325.14423	7.1
325.20175	17.9
326.20609	2.0
328.13156	28.8
329.13553	3.2
343.11758	9.1
343.15509	86.5
343.21213	37.3
344.12012	1.3
344.15823	8.7
344.21436	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	343.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	2.1
67.01897	1.8
69.83642	1.1
81.03471	0.4
83.01399	1.3
83.05045	0.4
95.01400	2.7
97.06610	0.3
107.01415	0.7
108.02182	6.3
109.02964	15.6
110.03294	0.4
111.00890	7.2
111.08176	0.4
112.98740	0.4
113.09722	0.4
121.03012	0.5
121.10265	1.9
122.03766	0.3
123.00901	28.8
123.04523	3.2
124.01686	23.1
125.02509	0.4
125.09753	1.1
127.11334	0.5
135.04541	0.4
136.01677	0.9
136.05270	0.6
137.02380	0.3
137.06142	0.4
137.09723	0.8
138.03230	2.0
139.00395	1.4
139.11270	0.8
141.09250	0.5
147.08182	0.6
148.05319	3.1
149.06100	10.3
150.06454	0.4
151.04048	0.6
152.01181	0.9
153.01926	0.8
154.78850	0.3
161.06100	1.5
162.03262	0.3
163.03990	2.4
163.07639	4.6
164.04803	5.7
164.07889	0.3
165.05583	44.6
166.05916	1.7
171.10286	16.2
171.32898	0.3
172.10602	0.5
173.02397	0.4
173.11833	1.0
175.07623	0.4
177.05533	1.5
177.09230	0.5
179.03436	0.4
179.07182	3.4
187.09755	1.6
188.04794	1.4
190.06349	0.3
191.07156	11.9
192.07605	0.5
203.07179	5.5
204.07568	0.5
205.08731	0.4
218.10091	0.4
219.06612	3.5
269.98083	0.8
293.21277	1.6
297.97623	1.3
299.12668	0.4
307.19061	0.3
310.12253	0.4
312.99939	2.2
313.10757	2.6
314.11029	0.3
327.12411	1.1
328.02438	1.7
328.13174	27.0
329.13437	2.8
343.15518	100.0
343.24744	20.8
344.12207	0.6
344.15860	11.5
344.25110	2.1
347.79749	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79553	0.2
53.61517	0.2
66.00418	0.2
69.05933	2.2
83.05045	0.3
101.98485	0.2
108.02177	5.0
110.25558	0.2
119.64557	0.2
121.06609	0.6
121.68102	0.2
122.03728	0.7
123.04542	2.9
125.09757	0.7
131.05045	0.6
134.03738	0.2
136.01666	0.4
141.01025	0.2
141.27887	0.2
147.04518	1.2
148.05324	14.4
149.06093	100.0
150.06422	4.6
151.04042	0.8
163.04080	0.3
166.15825	0.2
173.11694	0.3
175.07700	0.3
177.05559	1.1
177.09184	0.5
191.07191	0.9
209.21762	0.2
215.16576	0.3
219.06602	4.3
269.98160	0.5
285.00546	0.3
285.04065	0.4
297.97421	1.2
312.99927	2.3
313.03525	0.7
328.02322	1.8
328.05972	0.8
343.04645	0.8
343.08368	0.4
343.11823	1.3
343.15564	2.3
343.21326	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48697	0.3
69.14546	0.7
69.14967	0.9
91.42378	0.2
102.10678	0.2
108.02184	3.2
117.64436	0.2
119.27235	0.2
121.06599	0.8
122.03832	0.3
123.04527	2.0
136.01648	0.4
137.02493	0.2
147.04581	0.3
148.05315	12.9
149.06090	100.0
150.06439	4.4
151.04012	0.6
158.33842	0.2
161.05441	0.2
164.44362	0.2
170.30107	0.2
177.05573	0.7
177.09161	0.4
191.07123	0.4
219.06648	2.5
220.07231	0.2
223.12167	0.2
258.93411	0.2
269.98007	0.4
271.23032	0.3
285.07706	0.4
297.97522	0.6
312.99954	1.0
328.02228	0.7
328.05780	0.3
329.02866	0.2
343.04654	0.5
343.11935	0.5
343.15543	1.8
343.21320	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14691	1.9
57.03444	4.4
59.01371	4.3
61.68193	2.5
69.03443	2.9
80.96523	8.4
83.05021	13.4
86.27319	2.1
96.96020	5.6
97.06606	11.5
99.00894	34.0
109.02998	3.2
111.08153	7.5
113.09714	3.8
121.06592	7.0
123.00921	3.5
123.08163	7.4
124.01656	3.6
125.09739	61.3
137.02409	3.4
137.06134	2.4
139.04100	2.9
139.07671	29.1
141.09235	2.5
149.06070	2.5
151.04044	3.8
155.07141	5.1
157.08720	6.6
159.10278	16.5
165.05579	5.1
171.10298	6.7
173.08188	9.9
183.06593	11.2
187.09767	32.3
201.11320	3.2
225.11263	3.2
225.14952	2.3
237.66238	2.5
243.12329	2.7
260.72452	2.6
295.52423	2.2
297.97656	3.7
312.99951	3.8
325.16663	11.7
325.20087	2.9
327.98639	4.1
328.02359	5.8
343.01111	3.7
343.04721	12.3
343.08499	2.9
343.11743	4.9
343.17648	100.0
343.21378	17.9
344.17947	9.0
344.21661	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	343.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
65.76059	0.6
69.18343	0.6
73.60321	0.5
79.01885	1.7
79.05527	0.8
97.02926	0.7
98.21814	1.4
100.04824	0.7
111.04526	6.4
123.08173	1.6
139.04005	1.1
144.78535	0.6
145.71205	0.6
151.00374	1.2
151.04105	0.7
165.09305	1.4
176.08369	0.9
178.03452	0.7
187.07555	1.0
190.90387	0.6
191.03557	1.4
191.07129	1.7
195.06584	2.2
198.05321	1.2
203.07100	3.4
204.07884	0.8
208.07443	1.9
209.08153	2.5
213.09219	0.8
215.10667	0.9
219.06651	9.9
220.07047	1.0
221.08223	1.5
231.06645	10.8
231.10208	4.7
232.07050	1.1
233.08177	3.7
234.09006	2.8
245.11888	1.8
246.12640	6.1
247.09761	1.2
257.11929	1.2
259.09824	4.2
273.11362	4.5
274.12100	11.7
275.12415	1.2
285.11420	1.2
299.13043	0.7
299.19965	1.1
306.10977	1.1
341.17487	1.7
343.19147	100.0
344.19495	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	343.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
59.32642	0.6
68.99794	0.9
111.04528	4.5
121.02972	0.8
125.06073	0.8
133.06590	0.9
137.06099	2.0
139.04005	1.1
146.03790	0.9
152.59460	0.5
162.03302	2.7
163.04025	1.8
163.31808	0.5
164.11588	1.0
165.11928	1.4
166.06337	0.6
166.12177	0.6
167.12494	0.8
167.66765	0.5
177.07242	0.5
187.81572	0.5
189.09259	0.7
190.02612	0.8
191.03531	1.4
191.07185	0.6
194.05798	0.7
195.06497	0.5
205.05122	4.4
205.08688	5.1
206.05682	0.6
207.10297	2.8
208.07411	0.6
219.06602	2.4
221.08119	0.9
231.06677	1.0
233.08212	20.7
234.08792	1.7
247.09778	12.1
247.12317	0.6
248.10544	22.6
249.11182	3.2
257.68192	0.5
259.09695	3.4
262.12067	1.8
273.11307	1.7
274.12137	3.0
299.20117	0.7
341.17511	0.8
343.19153	100.0
344.19507	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2127
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
55.73195	0.3
57.03179	0.5
57.03449	5.8
69.03463	0.6
69.69286	1.5
70.34317	0.3
80.02679	0.4
83.05052	0.7
83.08331	0.3
95.05051	1.0
97.06595	16.6
108.02175	1.6
108.61876	0.3
123.04501	0.9
123.08177	9.2
123.46137	0.3
125.09736	100.0
126.10056	4.7
127.11318	2.2
139.11301	1.2
143.10825	1.7
148.98828	0.4
155.10789	2.3
159.10309	0.4
169.08716	2.7
173.11841	41.1
174.12231	1.7
183.10361	0.4
187.09779	18.4
188.10136	0.7
201.11205	0.5
219.06638	1.2
241.01512	0.3
242.02229	0.5
248.70871	0.3
254.02515	0.4
269.04703	0.3
281.21252	6.5
282.21436	0.4
313.03485	2.6
325.20239	10.1
325.23993	0.7
326.20483	1.3
328.02301	0.5
328.05814	1.6
343.21271	88.1
344.21594	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	343.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.1
59.01374	2.8
67.05515	0.9
69.10414	7.3
73.02956	1.0
83.05038	1.9
86.26984	0.8
88.82310	0.8
97.06605	2.0
102.80750	0.8
107.05048	1.0
108.02176	1.9
109.02940	3.9
111.08160	2.6
120.02674	0.8
121.02946	1.0
123.08180	1.5
125.09740	5.0
127.11310	2.2
135.04512	2.5
136.01642	1.3
137.06064	2.1
137.09721	1.9
139.07549	0.7
141.09218	3.5
146.03738	1.7
147.04541	1.0
151.04028	1.4
155.10826	1.6
163.03979	1.9
164.04753	2.9
171.10344	1.6
173.05994	1.1
173.08296	1.0
183.13849	1.2
187.09755	1.9
201.11334	3.6
245.19048	1.5
256.03452	0.8
257.01013	2.0
263.20160	12.8
269.98071	2.2
280.11169	0.9
281.21185	2.8
285.00653	0.9
295.09686	1.6
297.97528	3.0
299.22238	1.4
307.19177	9.5
311.01886	1.5
312.99908	3.1
313.10886	0.8
325.10861	1.0
325.16483	1.9
325.20224	20.1
326.20584	1.7
328.02231	3.5
328.05783	1.1
328.09485	1.3
343.00949	1.3
343.04758	3.7
343.12241	7.8
343.21265	100.0
344.05270	1.0
344.12347	1.6
344.21619	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66906	0.3
55.54222	0.4
56.19687	0.3
57.03449	0.5
57.05136	0.3
59.01382	0.7
67.01892	0.8
68.99828	0.9
69.03420	0.4
69.41178	1.9
71.01379	0.4
71.05009	1.2
72.99235	0.4
74.96732	0.4
79.01893	0.4
83.01407	0.6
83.05027	0.8
85.06590	0.4
95.01398	1.1
97.06592	0.9
98.22572	0.4
107.04988	0.5
108.02180	5.6
108.51073	0.4
109.02966	9.5
110.03278	0.6
111.00877	2.3
111.08162	1.5
119.08655	1.2
121.02956	2.8
122.03785	0.4
123.00900	8.6
123.04525	2.6
124.01678	7.0
125.09702	4.7
127.11317	0.5
131.08694	0.8
133.06581	1.7
134.03748	4.8
135.04570	2.3
136.01668	89.7
137.02490	13.3
137.05960	0.4
138.03197	0.5
139.00366	0.5
141.12868	0.7
145.02928	0.4
146.03699	1.2
147.04503	0.6
147.08145	1.1
148.05325	2.9
149.06093	6.0
151.04016	100.0
152.04335	4.6
155.14386	1.7
157.06602	0.5
159.04530	0.5
160.05309	5.1
161.06091	1.8
162.03227	1.7
162.05460	0.3
163.04030	9.8
163.07579	2.0
164.04797	2.6
165.05569	8.4
167.03508	0.7
169.12411	0.3
173.06058	1.9
173.08185	0.8
173.11836	0.4
174.06850	0.4
175.07643	12.9
176.08446	4.4
177.05496	1.0
177.09111	0.8
178.06380	0.5
179.07155	1.0
186.06841	0.9
187.07573	0.8
187.09851	0.6
190.06334	0.4
191.07146	4.2
191.10800	1.1
197.11897	0.5
199.09761	0.7
203.07127	1.1
219.06528	1.2
220.07272	0.4
225.22333	0.5
239.82262	0.4
247.38156	0.4
251.07162	0.5
252.07948	0.7
253.21773	1.9
255.23367	0.8
263.20166	1.5
267.10181	1.1
268.07596	0.6
269.08145	0.4
279.06720	0.6
280.07297	2.1
281.21216	4.2
283.09741	0.6
284.10587	0.7
295.09796	5.5
295.12915	0.7
297.20886	0.5
297.97470	0.5
299.12820	0.8
299.19107	0.7
299.22314	9.8
300.22531	0.7
307.19141	7.0
308.19620	0.6
309.11407	0.4
310.12134	4.8
311.12460	0.5
313.00104	0.5
313.10724	0.9
325.10828	0.7
325.14413	7.4
325.20212	23.4
326.14789	0.9
326.20410	1.7
328.02460	0.8
328.09317	0.9
328.13153	13.0
329.13559	1.2
343.11807	4.9
343.15521	45.9
343.21255	44.6
344.12097	0.9
344.15887	5.5
344.21606	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	343.2129
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
57.03437	2.6
59.01380	6.5
69.89679	5.0
73.02926	2.8
87.04518	1.3
107.05054	1.9
109.02995	2.3
111.08154	1.3
121.02938	3.7
122.03616	1.6
123.04559	2.0
123.08137	1.6
124.71071	1.2
125.09724	6.4
127.11285	4.1
134.03751	3.7
135.04527	10.4
137.02448	1.5
137.06174	1.9
138.96410	1.6
147.04538	1.5
148.05368	2.3
149.06062	1.5
151.00369	1.7
151.04013	2.2
155.10797	2.4
163.04114	1.7
171.10260	5.6
177.01964	4.6
181.05080	5.7
187.09802	2.6
199.13475	1.4
201.11317	4.2
209.66458	1.3
225.05569	2.6
241.04968	1.7
245.19144	1.8
253.05051	7.6
255.06592	4.7
256.07367	6.2
263.20145	4.5
268.07370	1.7
269.04361	1.4
281.21207	9.8
283.06146	2.1
284.07001	6.2
284.96744	3.2
285.07605	3.7
297.20764	2.7
297.97568	2.2
299.22272	13.5
307.19165	3.1
310.08334	1.7
312.96429	2.1
313.00012	4.3
313.07095	4.7
313.10370	1.7
325.10867	3.9
325.20197	9.7
327.98517	3.6
328.01971	2.4
328.09479	13.5
343.01178	6.3
343.05185	2.2
343.11914	69.7
343.21243	100.0
344.12265	7.5
344.21567	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	343.2126
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
57.03437	8.7
59.01381	13.8
69.03437	4.0
69.13064	17.6
74.39581	2.6
83.04993	3.8
89.02480	3.2
95.05053	4.4
97.06612	16.7
109.02936	11.6
111.08180	7.6
123.08178	11.0
125.09733	100.0
126.10069	6.3
141.09172	3.1
146.36670	3.1
151.11308	19.3
159.10237	13.3
165.05525	7.5
171.10249	8.0
173.11850	6.9
174.85110	2.8
187.09721	10.3
197.11838	4.6
201.11345	18.6
225.14926	6.3
269.98111	19.4
285.00391	10.5
297.97546	31.9
312.99875	39.6
313.03583	11.0
314.00320	5.0
318.35294	3.2
325.20184	6.4
328.02261	43.4
329.02686	4.6
343.04544	24.9
343.08307	6.3
343.11957	5.4
343.21234	95.3
343.25018	20.5
344.21463	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	343.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68372	0.5
56.88289	0.5
59.01372	1.6
62.72422	0.5
69.02457	2.1
69.02882	2.8
69.03456	1.4
74.42665	0.5
83.05019	1.2
92.08064	0.6
97.06631	1.0
99.08164	9.2
108.02206	3.5
109.02975	0.6
111.00848	0.6
121.10240	1.5
123.04510	1.8
124.01742	0.8
124.03851	0.6
125.09743	1.8
136.01631	0.9
136.71848	0.5
137.09700	1.0
139.11273	0.6
149.13419	0.7
151.03976	0.6
151.11295	1.0
159.98665	0.6
165.12878	1.3
167.10693	0.7
171.10274	11.1
177.05678	1.1
193.10718	1.1
193.12360	15.3
211.13451	3.0
212.56769	0.6
219.06595	2.3
225.14980	21.9
226.15314	1.1
243.16008	7.8
244.16129	0.8
289.18277	0.8
293.21167	2.3
297.97488	1.1
311.22333	0.8
313.00034	1.1
325.23920	0.8
328.02209	1.4
333.56781	0.6
343.11700	2.1
343.24908	100.0
344.25281	9.5
347.09354	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.249
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.0
59.01382	6.3
69.03452	2.3
71.01395	0.9
71.27977	0.8
73.02964	0.7
83.05021	2.3
85.02914	0.6
87.23261	0.6
88.04256	0.7
97.06596	2.3
99.08163	12.5
103.28109	0.7
108.02180	21.1
109.03011	0.8
111.08125	0.7
113.09634	0.8
115.07659	1.6
121.02995	0.8
123.04539	11.8
123.08172	0.7
124.04857	0.8
125.02417	1.6
125.09736	4.2
127.11255	0.9
129.09218	1.0
135.04501	1.8
135.14795	0.6
136.01587	0.8
137.09723	1.5
139.11264	1.0
141.09227	1.3
149.06081	1.9
149.13324	1.5
151.03990	1.5
151.11259	1.5
153.09180	0.8
159.10283	0.7
162.03217	1.1
163.03973	2.0
165.05518	0.8
165.12848	1.6
169.01421	0.9
169.08931	0.6
169.40869	0.7
171.10275	8.7
173.06114	0.6
173.11798	4.2
175.07668	0.7
176.04788	1.2
177.05609	3.8
183.13696	0.7
185.11778	1.4
187.09746	2.8
191.07198	3.2
193.12338	18.2
194.12709	1.1
211.13371	3.3
211.18661	0.6
215.12859	0.7
219.06633	16.3
220.06990	1.9
225.14969	23.8
226.15327	1.4
243.16045	10.3
244.16339	0.7
269.98001	2.4
285.00449	1.3
287.57971	0.7
293.21188	2.2
297.97543	4.3
299.05740	0.8
299.09375	0.7
311.22244	1.8
312.99878	7.1
313.03531	1.7
314.00180	1.2
325.20459	1.1
325.23956	2.1
328.02191	5.8
328.05872	3.0
328.12982	0.7
329.02457	0.9
343.04581	3.2
343.08185	3.4
343.11966	7.1
343.16217	3.0
343.21265	6.7
343.24890	100.0
344.12042	3.3
344.15622	0.7
344.21564	1.1
344.25238	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	343.249
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72324	0.6
61.36291	0.6
78.39115	0.6
100.47720	0.6
108.02175	5.9
109.02959	1.9
121.10248	11.1
123.00873	0.8
123.04522	3.3
124.01694	0.8
125.09715	1.8
127.11279	2.6
128.35765	0.6
134.03719	1.4
135.04526	0.9
136.00623	1.1
136.01672	19.3
137.02393	2.5
137.09763	1.8
139.04091	0.7
139.11290	1.7
149.06085	1.3
151.04018	29.7
152.04381	1.0
153.09181	0.8
160.05324	0.8
163.07661	0.7
165.05579	1.1
171.10281	69.3
172.10594	3.1
175.07666	2.8
177.05559	1.6
191.07170	1.2
219.06680	5.7
228.50803	0.6
267.10208	0.9
269.98029	3.0
284.05927	1.0
285.00937	1.0
285.04095	2.8
293.21231	1.8
295.09760	1.8
297.97607	4.4
299.08408	0.9
310.12146	1.6
312.99878	5.4
313.03488	2.2
314.00375	0.8
325.14340	2.1
325.23608	0.7
327.05038	1.0
328.02161	5.0
328.05917	3.6
328.09302	0.8
328.13232	1.1
329.02463	1.0
329.06378	0.7
341.28458	1.2
343.04538	2.6
343.08218	3.9
343.11804	2.6
343.15720	11.4
343.24905	100.0
344.16006	1.6
344.25180	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	343.2492
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
59.01387	2.6
69.03452	1.5
69.23889	1.8
69.24307	2.0
75.14220	0.5
83.05029	1.5
89.81792	0.6
96.33769	0.5
97.04684	0.5
97.06597	0.8
99.08170	8.6
108.02193	4.1
109.02969	1.3
121.10235	3.7
123.00863	2.2
123.04559	3.1
124.01665	2.1
125.09763	1.1
127.11268	0.8
135.08279	0.6
136.01671	1.5
137.09700	2.2
139.11336	0.9
149.06026	1.3
149.72206	0.5
151.04007	1.7
163.04095	1.0
163.11259	0.6
164.04962	0.6
165.05569	4.4
165.12863	1.1
167.10719	0.5
171.10277	23.5
172.10617	0.6
173.91824	0.5
175.07645	1.0
175.11368	0.6
176.08411	2.1
177.05553	0.7
177.09184	2.0
187.20691	0.5
191.07120	1.8
193.12349	14.2
193.14117	0.7
194.12509	0.6
203.06960	0.7
211.13420	3.7
219.06596	2.3
225.14978	16.7
226.15201	0.9
243.16008	6.4
246.12230	0.5
255.03046	0.5
293.21198	2.5
294.21613	0.7
297.97552	1.3
307.22833	0.8
312.99966	1.0
325.14484	1.1
325.23660	1.0
328.13272	2.5
343.08362	1.4
343.15765	12.2
343.24902	100.0
344.15833	1.9
344.25278	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	343.2856
Annotation	CHEBI:79292
Peak:m/z	Relative Intensity
50.79044	1.3
51.77105	1.5
67.10114	1.5
69.67599	5.0
72.99311	42.4
73.41896	1.6
74.63268	1.4
75.00885	13.3
79.69630	1.5
80.26408	1.4
90.80767	1.5
91.83076	1.5
125.17043	1.2
267.26816	1.9
297.27957	2.1
311.05908	1.4
343.28528	100.0
344.28949	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	344.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59011	3.4
59.01382	60.9
59.66988	3.9
63.87743	3.2
69.59392	6.0
69.59796	12.1
71.01389	5.6
71.05012	6.8
89.02469	7.3
97.02965	10.9
98.21851	5.1
99.09801	3.4
101.02461	5.7
113.02432	5.9
123.00864	26.6
123.04557	6.1
125.02440	4.2
138.03241	18.6
139.04030	100.0
149.02385	4.4
159.41656	3.3
163.04088	4.8
165.01958	4.5
165.05577	6.0
169.01468	4.6
174.99168	4.1
181.95914	3.8
183.03032	3.7
183.06606	7.5
185.64220	4.4
201.02628	27.6
202.02773	21.1
202.98726	12.2
203.02306	7.2
213.05190	5.9
249.34146	4.3
280.75327	3.7
301.09262	5.7
345.08310	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	344.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
63.24713	13.4
69.27822	98.9
98.22494	29.4
111.04555	21.5
151.04044	23.3
203.74100	15.7
207.06613	19.0
221.08205	66.7
256.42316	15.3
277.14438	45.0
345.13504	21.9
345.17114	100.0
345.20694	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	345.0254
Annotation	(3Z)-Chlorofucin
Peak:m/z	Relative Intensity
52.59784	0.4
57.03446	0.5
59.01368	0.6
66.57887	0.4
71.29929	0.4
73.40643	0.4
76.27418	0.4
76.61839	0.4
83.05074	0.5
95.76160	0.5
97.06628	0.4
98.13688	0.4
99.08153	0.7
111.08181	1.4
123.08180	0.8
125.09716	4.3
141.09244	1.0
157.08669	0.5
165.05542	0.4
171.10292	0.5
173.08235	1.2
175.09724	1.1
187.00389	1.3
187.09784	2.5
191.07175	0.7
202.99803	0.6
214.99884	2.4
216.00404	0.6
228.00639	1.0
230.99365	12.2
231.99837	0.5
240.06432	0.7
242.99409	1.5
255.99916	1.1
258.98846	5.0
274.01157	0.8
281.57544	0.4
283.99591	0.8
286.71295	0.5
286.98349	24.1
287.98602	0.7
296.01663	0.4
299.99008	2.0
300.99893	4.1
302.00577	0.6
311.99161	3.3
312.99927	1.8
314.97849	100.0
315.98193	5.7
328.99435	6.5
329.96021	1.0
330.00159	55.9
331.00491	4.5
345.02524	68.4
345.13501	2.3
345.19180	6.1
345.22934	2.0
346.02869	5.3
352.20981	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44086	0.5
59.01382	1.2
70.34369	0.5
71.01385	1.4
71.04604	0.5
83.01398	0.5
85.02956	1.0
95.01387	0.5
101.02412	0.7
109.02936	0.6
111.00887	2.5
120.99699	0.6
123.00880	2.9
123.04543	1.6
124.01682	0.9
125.02444	1.2
127.00364	1.0
136.98824	1.5
137.02438	0.9
138.03169	0.9
139.00433	2.9
139.03995	1.1
140.01164	2.7
149.02429	0.6
153.01926	2.4
165.01927	0.5
166.99849	4.1
168.00670	6.2
168.04298	4.3
169.01501	0.5
182.02231	9.3
183.03001	100.0
184.03345	3.6
186.19104	0.5
290.17911	0.5
300.99960	1.1
326.97809	1.2
329.41699	0.6
345.08276	30.4
346.08728	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	345.083
Annotation	Methyl gallate 3-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.32624	0.2
56.33292	0.3
59.01378	0.8
60.22999	0.2
61.65464	0.3
71.01385	0.5
71.04577	0.5
72.99309	0.4
95.01389	0.4
97.02980	0.3
98.05147	0.3
107.91470	0.3
110.00096	0.5
111.00902	2.3
123.00886	3.3
123.04536	0.7
124.01652	1.5
127.00402	0.6
136.98801	1.7
138.03259	1.0
139.00377	3.1
140.01169	3.6
141.01945	0.4
144.24156	0.3
145.59389	0.3
153.05620	0.5
154.99910	0.4
166.99883	2.8
168.00667	5.2
168.04289	1.9
182.02220	8.9
183.02997	100.0
184.03343	4.3
242.99387	0.3
270.98962	0.5
300.99899	0.5
326.97791	1.0
345.08252	28.3
346.08624	2.1
346.12247	0.4
356.29663	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.3
59.01092	0.6
59.01382	8.2
61.98844	0.7
67.53175	0.3
68.01418	0.5
71.01384	0.8
71.05029	9.8
83.01394	1.9
85.02973	0.5
95.02512	0.7
95.05028	2.8
97.02954	14.1
101.02458	0.6
110.03738	0.4
111.02010	3.9
123.00922	1.2
123.04538	1.2
124.01685	0.6
125.02446	0.5
132.76587	0.4
138.03210	0.7
139.04022	100.0
140.04337	3.7
147.06592	0.5
151.05168	1.5
153.05589	1.0
159.01508	0.9
160.97659	0.5
163.04036	2.6
165.01958	1.1
165.05518	1.0
166.99915	1.1
174.99319	1.0
181.05092	1.0
182.02238	0.4
183.03008	1.7
183.06664	1.2
183.82860	0.4
187.01019	1.1
201.02530	2.3
202.02748	1.0
202.98824	2.9
203.02275	2.1
207.02942	0.6
213.05185	7.5
214.91927	0.4
267.24792	0.5
285.08435	0.5
345.08279	9.7
346.08652	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0828
Annotation	Methyl gallate 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01856	1.7
59.01381	9.4
60.53537	1.1
65.00320	1.3
66.27208	1.0
68.19236	0.9
69.12634	6.8
70.63780	1.0
71.01369	5.7
71.05030	8.2
72.34423	1.0
79.01890	9.1
83.01392	1.2
85.02941	2.0
85.43655	0.9
89.02443	3.8
93.03455	1.3
95.05030	4.6
97.02953	21.3
97.45833	0.9
101.02464	3.8
101.35767	1.0
103.05563	2.1
109.03009	1.8
113.02479	1.4
116.22617	1.0
117.05595	1.3
119.03481	1.2
121.02969	11.3
121.06631	3.3
123.00883	1.2
123.03638	2.2
123.04536	30.3
124.01692	5.5
125.02486	2.0
135.04474	1.9
137.02434	1.9
138.03223	5.4
139.04031	53.8
147.06708	1.5
147.42990	1.0
149.02403	2.3
149.67662	1.2
150.03191	2.2
151.04048	1.5
153.05623	1.4
163.04039	1.9
164.01166	3.2
165.01947	65.7
165.05598	10.1
166.02306	1.6
168.04311	2.6
179.03456	1.9
181.05060	3.3
182.02254	8.7
183.03018	32.5
183.06627	35.8
184.06900	1.6
189.01927	6.2
202.98792	1.6
207.03006	6.0
208.03500	1.4
225.04062	2.7
290.97079	2.2
331.83691	1.1
345.08273	100.0
345.11728	5.0
346.08542	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	345.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.4
59.01380	71.3
60.01718	2.1
60.02000	0.4
61.01809	0.7
61.98833	4.7
63.60351	0.4
69.41567	1.7
69.41982	0.7
71.01383	1.8
71.05027	7.7
71.61437	0.4
72.99320	0.6
73.02931	0.8
78.95916	0.6
79.05178	0.5
83.01379	1.1
85.02956	0.7
91.67139	0.5
93.03480	0.5
95.05025	5.2
97.02952	21.6
98.34585	0.5
101.02438	0.9
109.02932	0.6
113.02464	0.7
115.02528	0.6
119.03520	0.6
121.02954	1.2
123.04495	0.9
132.98157	0.7
135.04514	1.2
137.02460	1.9
138.03194	1.3
139.04019	100.0
140.04382	3.4
153.05576	1.0
157.03522	2.3
158.03665	0.5
159.01494	2.9
159.03300	2.3
160.97676	1.0
161.01218	0.7
163.04015	1.5
164.03506	0.9
165.00534	0.8
165.01927	13.0
165.03893	0.7
165.05525	0.8
166.02290	0.5
166.05038	0.6
168.04219	0.6
174.99243	3.0
182.97034	0.8
183.02982	5.7
183.06587	2.6
187.00961	2.1
193.06018	0.7
201.02562	30.9
202.02716	9.8
202.98804	8.0
203.02280	28.4
203.99942	1.7
204.02667	1.2
204.15285	0.5
211.00349	0.5
215.15602	0.4
217.00279	1.8
244.76547	0.5
289.63385	0.5
309.52902	0.6
345.03729	1.2
345.08148	25.4
346.08685	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.098
Annotation	Unknow
Peak:m/z	Relative Intensity
61.23174	1.0
63.32013	1.1
69.39465	2.9
69.39877	5.2
75.00860	1.3
79.01898	16.4
90.39893	1.0
93.03449	1.9
95.05080	1.6
98.22530	1.5
105.03471	4.8
108.02155	3.2
109.03001	1.2
111.04523	12.0
112.24846	1.1
125.09751	1.4
135.04532	5.3
136.01703	5.6
137.02454	2.5
138.02245	2.1
138.03239	23.0
147.04512	1.3
149.02414	1.5
150.03157	1.9
151.04004	10.0
153.05582	16.1
162.95232	1.2
164.01180	19.2
165.01955	6.5
166.02722	31.9
169.05080	2.0
173.09712	1.3
177.01967	1.5
178.02713	11.0
179.03508	72.1
180.03934	4.5
181.05075	100.0
181.08629	5.0
182.05362	3.7
191.03380	3.1
192.73529	1.1
193.01434	4.6
193.05074	4.4
207.03004	9.6
209.04559	25.8
238.08603	1.5
269.04541	3.7
284.06921	1.2
287.04456	1.6
299.09409	1.6
315.03973	2.5
327.12277	3.2
327.16049	1.5
345.09323	3.3
345.13379	2.8
345.17038	7.9
345.22913	2.6
345.26498	5.2
355.97668	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0981
Annotation	Kushecarpin B
Peak:m/z	Relative Intensity
55.78349	0.6
56.47549	0.5
58.36425	0.6
59.01382	3.0
63.25649	0.5
67.59758	0.6
67.64936	0.6
71.01381	1.2
71.29940	0.7
77.35170	0.6
89.02464	0.8
93.03440	0.7
101.02461	1.3
108.02182	70.8
109.02467	1.0
113.02447	0.7
119.05026	2.4
121.02941	2.4
121.06605	5.8
122.03750	1.7
123.00953	0.9
123.04535	36.0
124.04836	0.9
133.06584	0.9
134.03735	2.9
135.04538	5.9
137.02425	0.7
137.06056	0.6
137.26276	0.6
139.31390	0.6
147.04520	1.6
148.05318	2.5
149.02495	0.6
149.06076	14.1
151.03986	1.1
160.05273	0.9
162.03290	0.7
163.04024	5.6
164.04602	0.7
165.05566	2.0
175.03975	1.7
177.05563	4.9
178.02481	0.8
188.69292	0.6
191.03517	3.9
193.05070	8.5
194.05838	1.0
203.03505	1.0
216.83345	0.6
221.04561	100.0
222.04900	5.4
225.11375	2.0
226.04794	1.4
227.07225	1.0
229.14447	0.6
241.08647	0.7
243.12291	0.7
252.07950	1.7
253.08688	2.2
254.05901	0.8
255.06665	4.0
256.07175	0.7
268.07617	0.7
269.08200	3.7
270.08960	9.7
271.09357	1.0
285.11322	16.7
286.11664	1.8
315.01517	2.3
315.12399	1.4
327.08881	3.8
330.03867	2.2
330.14771	1.6
345.09775	54.6
345.13522	22.2
345.22598	5.6
346.10065	6.1
346.13959	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	345.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63603	0.6
56.98029	3.5
59.01374	2.2
60.97516	1.7
63.96242	2.5
71.01396	0.8
72.99319	3.8
73.98325	3.6
74.99101	100.0
75.99429	0.8
85.92005	0.6
87.00871	7.3
89.02443	0.7
99.02741	7.7
100.01650	0.6
102.98640	0.6
109.02930	0.7
110.01951	1.1
117.97324	1.4
118.98112	2.7
120.99675	4.4
125.02425	1.1
125.04329	6.4
127.02250	13.3
135.98402	3.6
136.99153	97.4
137.99484	1.1
169.03322	3.3
169.57387	0.6
183.10205	0.8
195.08499	32.9
196.08797	1.6
205.01439	0.8
207.10306	0.9
214.51099	0.6
239.07495	4.8
240.07611	0.6
257.08536	2.7
257.12805	0.9
283.10141	0.8
297.07449	0.7
300.99957	0.8
315.08618	1.0
326.98022	0.7
335.43033	0.7
345.06027	1.4
345.10022	14.8
345.13593	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05818	2.4
57.01778	2.2
58.00601	3.6
59.01089	4.9
59.01380	67.5
62.87290	2.2
65.03957	8.4
69.12543	18.0
71.01385	38.8
72.99286	5.1
80.02687	12.6
83.01392	3.0
85.02940	7.8
89.02453	42.5
91.05584	2.7
93.03477	2.8
93.07114	5.5
98.21800	4.5
101.02463	22.4
102.04768	3.4
103.05541	69.6
106.04249	45.6
108.02199	5.4
113.02466	21.8
116.39336	2.6
117.03504	2.7
119.03518	17.4
119.05010	11.8
121.05716	5.1
121.06599	100.0
121.77578	2.8
124.01657	2.7
137.02446	5.9
139.04021	2.7
139.07626	3.1
152.01125	4.0
153.01927	5.3
154.02681	4.9
165.05582	70.8
166.02658	2.3
169.05057	6.9
183.02995	7.7
183.06679	5.2
285.06097	5.5
345.11871	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	345.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.4
57.03445	1.8
59.01383	4.4
70.81168	0.9
71.01388	23.8
73.02947	5.9
75.00904	0.5
82.00603	0.5
83.01387	2.3
83.25931	0.4
85.02962	11.7
87.00885	2.5
89.02443	1.8
93.07098	0.5
95.01405	1.8
96.99308	0.4
97.02185	0.4
97.02932	0.5
99.00888	2.9
101.02455	10.3
110.00100	4.4
113.02462	9.9
120.99693	1.4
125.02467	3.5
137.99612	6.2
140.00208	0.4
143.03510	0.7
153.01959	100.0
154.02284	3.2
159.02975	1.3
161.04579	8.4
168.04300	82.5
168.92836	0.4
169.04617	2.6
183.06644	38.7
183.10216	1.6
184.07019	1.5
223.09772	1.3
257.08545	3.2
304.69641	0.4
326.97998	0.5
337.47229	0.4
345.06519	0.6
345.10260	5.9
345.14578	0.7
346.10489	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1194
Annotation	3,4,5-Trimethoxyphenyl beta-D-glucopyranoside
Peak:m/z	Relative Intensity
59.01371	1.0
70.61903	0.6
76.87157	0.3
87.69382	0.3
88.75047	0.4
99.01089	0.4
113.52657	0.4
123.04551	1.1
137.02487	2.1
138.03241	36.6
139.03596	1.2
140.01167	0.7
145.27223	0.4
153.05585	14.3
156.05923	0.4
164.12387	0.3
166.99878	0.4
168.04288	53.6
169.01424	0.5
169.04680	1.6
170.02260	1.8
182.02287	0.5
183.03230	4.3
183.06628	100.0
184.06978	3.2
204.41283	0.3
225.03973	1.4
285.06146	1.6
290.96985	0.5
298.19760	0.4
345.08173	1.2
345.11816	2.1
345.15417	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04565	0.4
59.01371	1.6
63.22324	0.5
69.24487	2.3
69.24893	1.1
97.06594	0.6
98.22493	0.8
108.02160	0.8
121.02951	1.2
122.03726	1.1
125.09696	1.5
139.11304	0.6
147.04536	1.4
148.05331	9.4
149.06099	100.0
150.03195	2.6
150.06438	4.0
153.05669	1.1
162.03242	1.4
163.04114	0.5
165.05609	4.3
172.76396	0.5
173.11887	0.6
179.07097	0.6
180.04225	0.5
185.11943	1.4
195.06613	1.4
201.11395	1.0
208.83504	0.5
217.75864	0.6
265.10876	1.2
296.18903	0.5
314.97772	1.8
330.00177	1.2
345.02774	0.8
345.09698	2.8
345.13495	1.3
345.19370	1.0
345.22986	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	345.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14527	3.6
59.01376	20.0
59.50611	3.0
65.00308	4.0
69.04755	22.2
71.01396	4.0
83.05029	5.1
97.06604	4.2
101.02451	4.5
108.02169	21.0
109.02927	9.9
111.08158	11.6
112.44421	3.0
120.39243	3.2
121.02989	18.2
122.03741	17.7
123.00893	5.7
123.04528	7.5
124.01676	5.1
125.02478	5.7
125.09717	5.9
129.09256	3.5
134.03775	25.4
135.04514	17.7
137.02432	8.3
137.06131	5.6
139.04137	3.5
146.03740	22.8
147.04549	9.3
148.05338	9.3
149.06099	36.6
152.01155	11.7
153.01958	4.2
161.06125	12.3
162.03232	11.1
163.04013	11.2
163.07635	13.5
164.04822	26.2
165.05606	19.5
166.06352	23.4
167.07153	100.0
169.01418	10.2
171.64449	3.3
173.08160	7.5
173.27025	3.1
177.05591	12.2
179.07153	50.0
187.09750	4.9
202.98592	4.0
205.01430	4.6
221.08220	3.8
239.14467	12.2
301.03583	9.6
314.08917	6.9
315.08279	9.6
315.12115	4.1
327.12262	5.7
327.21606	6.0
330.10593	4.5
345.02441	5.0
345.09500	15.2
345.13321	6.2
345.16937	7.9
345.22842	52.6
345.59067	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	345.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.9
63.90704	0.5
68.99798	0.6
81.85966	0.6
91.05550	1.1
93.03450	0.6
95.05025	0.7
96.96014	0.9
97.06604	1.0
101.03932	0.9
103.05544	0.7
108.02215	1.4
108.85446	0.6
109.02988	1.3
119.05041	8.3
121.02956	0.9
125.02424	1.7
125.09718	2.2
127.11266	0.8
129.03476	9.6
130.04239	2.3
135.04550	4.1
136.01674	9.1
137.02466	14.1
137.09792	0.6
139.04022	1.0
143.07101	0.6
145.02992	2.8
146.03755	4.1
147.04538	62.7
148.04871	2.2
149.02466	5.9
163.04044	1.8
164.04805	26.4
165.05585	100.0
166.05968	4.1
169.01483	1.1
171.10306	1.3
179.07149	5.2
187.09842	1.4
201.11342	1.8
213.07675	0.7
215.12955	1.3
223.09796	1.3
224.09987	0.8
237.52538	0.6
287.02112	1.9
301.18106	0.7
314.97855	1.5
315.01517	2.7
327.21875	1.1
330.00134	1.6
330.03873	1.9
345.02502	1.6
345.06351	1.3
345.09717	1.3
345.13071	4.1
345.22818	14.8
346.22934	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27819	0.8
56.32178	0.8
59.01392	1.2
68.99973	8.0
70.83123	0.8
71.20972	0.8
93.03455	1.3
97.23140	0.8
108.02193	3.6
109.02965	3.7
111.20142	0.8
120.99664	28.1
121.02977	5.4
122.03754	2.3
123.04533	6.3
134.03760	8.1
135.04538	7.3
135.12711	0.8
136.01685	1.8
137.02489	1.4
145.02960	2.0
146.03648	1.3
147.04526	10.4
148.05305	3.5
149.06093	6.7
160.05315	1.3
160.41438	0.8
161.06165	5.4
162.06880	0.9
163.04036	2.4
164.04733	1.2
165.05576	2.4
169.05077	1.1
175.04088	1.8
177.05609	4.2
190.06487	4.0
191.07140	2.1
196.03789	2.3
199.07689	0.9
203.07140	2.6
204.07983	2.8
209.06088	0.9
211.07677	1.1
212.04800	1.0
213.05556	1.0
223.07639	2.2
227.07333	1.4
228.04274	1.0
238.06537	0.9
238.17285	0.8
240.04271	4.7
241.04869	1.0
243.06651	2.4
251.07199	3.6
252.07964	2.9
253.05136	1.3
253.08658	4.3
254.05821	4.3
255.06615	2.8
267.06680	1.8
267.10202	1.2
268.07385	2.0
269.08212	13.8
270.08994	19.3
271.09357	1.6
279.06390	1.2
283.09848	1.9
284.07065	1.0
284.10553	2.0
285.11288	3.7
294.08984	1.9
295.09824	3.9
297.07779	5.3
299.09290	4.8
301.10901	3.5
309.11356	1.1
311.09256	5.5
312.10031	19.4
313.10333	1.4
313.21933	0.8
327.12399	100.0
328.12759	9.9
345.13446	23.3
345.22708	1.3
346.13770	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	345.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82675	0.9
59.01374	2.8
62.84061	0.8
69.24249	2.2
69.24645	4.6
72.99313	1.7
90.64742	1.0
95.01363	0.9
97.02979	1.1
97.06611	1.2
108.02197	3.0
109.02953	4.1
112.62514	0.8
115.07685	1.3
119.05044	1.8
121.02970	5.9
122.03750	2.7
123.00927	1.1
123.04527	6.8
124.01677	1.8
125.02472	1.9
125.06049	1.5
134.03755	7.9
135.04549	9.2
136.01624	2.3
137.02478	2.3
139.00386	1.2
145.02927	2.2
147.04547	8.8
148.05281	3.3
149.06088	21.2
150.03253	1.6
151.04001	1.7
153.01999	1.0
160.05310	2.8
161.06119	5.3
163.04033	2.3
164.04790	1.6
165.05551	2.9
166.99857	1.1
167.03531	1.1
169.01418	1.4
171.10320	1.4
175.04001	1.9
177.01929	1.8
177.05540	3.5
188.04723	0.9
190.06337	4.7
191.07123	3.3
196.03740	1.9
199.13434	3.4
203.07135	2.6
204.07901	2.2
223.07700	2.7
224.08051	1.2
225.05576	2.6
225.09091	0.9
227.07129	1.1
228.04396	1.1
238.06441	1.4
240.04340	5.4
243.06677	2.7
251.07228	3.4
252.07976	2.8
253.05029	2.0
253.08659	4.2
254.05815	5.4
255.06758	4.5
267.06656	1.6
268.07355	2.2
269.08197	13.9
270.08972	19.4
271.06058	3.6
271.09113	1.6
275.54874	0.9
283.09824	2.4
284.06882	1.0
284.10553	1.4
285.11243	6.3
286.08423	1.9
294.08997	2.4
295.09778	4.1
297.07739	3.7
299.09213	5.2
301.10855	4.9
311.09375	5.9
312.10052	16.7
313.10370	1.7
327.12393	100.0
328.12781	9.0
345.06317	1.4
345.09741	14.7
345.13531	10.7
345.16888	1.7
345.18445	1.3
345.22833	21.5
346.23111	2.4
347.37454	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1559
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
55.01880	6.2
57.03452	5.4
58.00597	3.9
58.49796	1.9
59.01385	100.0
64.54739	1.6
69.03437	2.9
71.01389	77.6
71.15474	1.6
71.28352	2.5
71.82300	1.6
72.99305	5.2
73.02955	18.0
74.43842	1.8
83.01371	10.1
85.02962	33.8
87.00874	4.4
89.01947	3.4
89.02454	34.4
95.01411	7.7
99.00871	8.3
101.02451	68.2
113.02457	30.8
119.03528	19.6
120.99626	2.2
121.10246	11.4
132.90710	1.9
139.11285	4.7
159.03046	2.9
161.04549	12.0
163.62289	1.7
165.09224	2.1
183.10291	3.1
207.85085	1.8
243.12317	5.6
285.13510	4.0
345.15582	95.1
346.16104	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	345.1558
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
52.02191	1.7
52.17389	1.5
55.01861	5.5
57.03434	3.2
58.00599	3.7
59.01381	77.8
66.43503	1.9
69.31934	7.6
69.32339	3.1
71.01385	68.9
72.99307	3.8
73.02956	21.7
79.16302	1.6
83.01386	9.2
85.02953	29.3
87.00861	2.7
89.02451	35.6
95.01388	4.4
99.00871	8.9
101.02447	58.5
105.69656	1.8
113.02452	31.0
114.71102	1.7
119.03508	12.6
120.99655	2.9
121.10236	5.0
125.02457	2.0
129.02032	2.0
159.03027	1.9
159.73767	1.9
161.04561	13.0
161.37750	1.7
183.10364	2.6
225.11238	2.2
243.12402	2.2
270.35492	2.0
299.65652	1.7
301.16721	2.8
325.60217	1.8
340.67789	2.1
345.15543	100.0
346.15808	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	345.171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41190	0.8
70.57159	2.4
75.00868	1.4
81.03423	1.3
93.03460	2.0
103.20469	0.9
108.02166	8.3
109.02991	12.2
119.08642	1.2
121.02968	24.1
122.03771	12.7
123.00876	1.9
123.04553	9.2
124.01633	1.7
125.59901	1.1
127.03982	1.1
127.96747	1.1
133.06593	2.6
134.03716	5.4
135.04494	1.2
136.01636	3.3
136.05304	7.9
137.02449	14.3
137.06096	1.1
146.03761	5.0
147.04517	2.0
147.08119	1.9
148.05316	100.0
149.06117	11.4
151.00357	1.0
151.04048	4.5
152.01114	1.0
154.02756	4.5
160.05270	3.5
163.03958	2.7
163.07669	44.2
164.04825	10.0
164.08017	2.5
165.05482	1.7
168.04259	2.3
169.05052	2.3
174.06853	1.4
175.07652	41.9
176.08304	4.4
178.06294	4.4
188.08434	6.4
189.05591	2.3
189.09149	3.7
190.06320	4.4
191.07027	1.6
191.10376	0.9
203.10768	1.7
204.07883	2.7
212.74178	1.1
241.11429	1.0
255.06529	1.9
264.07687	1.2
269.11765	1.0
270.08887	1.1
282.08905	4.2
284.06430	3.3
297.11383	22.3
297.14694	1.6
298.11432	1.5
299.08755	4.0
307.72009	1.0
312.10361	0.9
312.13687	21.9
313.14023	2.2
323.40207	0.9
327.16019	74.2
328.16370	7.8
330.06680	1.4
330.14731	2.9
345.08090	3.9
345.13419	1.6
345.17023	36.8
345.23230	1.6
345.30365	1.0
346.17413	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	345.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68912	0.8
55.60155	0.8
65.74641	0.9
67.81989	0.9
75.01155	0.8
75.42179	0.8
75.48564	1.0
83.05006	1.8
84.58504	0.9
93.03432	2.1
98.21635	1.5
99.04490	1.2
108.02180	8.6
109.02959	13.3
111.08172	4.4
119.08633	1.6
121.02199	1.3
121.02963	18.2
122.03761	13.4
123.00847	1.7
123.04576	8.0
124.01620	1.5
125.02455	1.2
125.06072	1.1
125.09721	2.6
127.03967	3.4
133.06544	1.8
134.03777	6.1
135.04457	3.3
136.01692	6.1
136.05254	3.7
137.02455	16.2
137.05977	1.0
144.33374	0.8
146.03674	3.5
147.04439	2.7
147.08255	0.9
148.05322	100.0
149.06099	15.0
151.04007	7.4
153.01939	1.2
154.02673	2.7
155.10712	4.1
156.66992	0.9
158.90491	0.9
160.05261	3.1
161.05986	2.1
163.03973	1.9
163.07671	42.2
164.04816	6.6
164.07941	2.1
165.05441	1.2
168.04341	1.8
169.05084	8.4
171.10165	4.1
173.06021	1.5
174.06841	1.7
175.07658	35.6
176.08221	3.7
178.06255	3.5
178.99850	1.1
187.07570	1.4
188.08472	7.5
189.05612	2.0
189.09109	3.6
189.11279	1.1
190.06270	3.7
190.09975	1.2
191.07181	1.4
191.63443	1.0
203.07132	1.4
204.07840	1.8
209.00621	0.9
217.10690	1.2
241.05038	1.1
254.05792	1.5
255.06445	2.2
269.07980	2.1
270.08713	2.4
279.10059	2.1
281.08069	2.3
282.08850	3.2
297.08163	1.3
297.11282	19.7
298.11792	2.0
300.72128	0.9
312.10016	2.1
312.13641	22.5
313.14026	2.2
317.23120	1.2
327.12238	12.7
327.15973	62.5
328.12827	1.6
328.16205	6.3
330.14630	8.2
335.04483	1.0
345.16885	80.3
345.22961	2.7
346.17245	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	345.1707
Annotation	CHEBI:67672
Peak:m/z	Relative Intensity
63.49045	0.3
65.03976	0.4
67.01880	0.5
69.67040	0.2
69.70592	0.2
80.40677	0.3
98.21748	0.7
99.43831	0.3
107.02901	0.2
108.02178	1.0
109.02959	100.0
110.03304	2.7
111.04537	0.7
113.09725	1.4
114.81238	0.3
121.02962	0.4
123.04483	0.4
125.09717	0.7
151.20369	0.2
163.07640	0.7
163.55690	0.3
181.08713	9.9
182.09003	0.5
203.25446	0.3
212.61711	0.2
214.37741	0.3
259.09964	0.4
276.79883	0.3
287.09332	1.2
287.12933	0.3
288.09460	0.3
302.11646	1.1
330.07599	0.3
345.17072	32.4
346.17429	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	345.192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	2.6
59.01382	1.8
63.53412	1.8
67.70509	1.9
70.12641	5.8
83.05024	4.6
96.17720	1.9
97.06624	5.0
99.08174	2.4
109.02970	3.6
111.08136	18.1
113.09780	2.2
115.07645	2.1
121.02912	4.7
122.03683	2.6
123.08153	4.9
125.09741	26.6
129.09192	3.0
141.09216	26.0
148.05312	11.2
149.06117	4.7
149.40448	2.2
155.10779	4.1
157.08708	23.1
159.10280	14.1
163.07663	4.1
171.10289	6.1
173.08220	3.6
175.07611	3.6
175.09799	3.7
185.11798	4.3
187.09778	7.8
201.11415	2.1
203.09270	3.3
215.12929	2.5
233.70258	2.1
299.18332	2.7
314.97842	4.5
327.16101	7.0
327.21545	2.6
345.19382	100.0
345.23007	24.5
346.19919	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75101	1.4
55.01886	1.6
55.80754	1.6
57.03452	9.5
58.45167	1.3
59.01089	2.9
59.01379	43.5
60.01733	1.3
70.50089	3.2
71.05000	2.5
79.01899	7.2
81.03445	2.3
83.05024	10.3
85.02950	2.1
85.06593	14.0
90.12666	1.5
93.03447	1.8
95.05042	2.3
97.02964	2.5
97.06604	13.3
98.21807	2.0
99.04537	4.7
108.02180	4.2
109.02992	2.3
109.06593	4.9
111.04533	3.1
111.08169	47.0
113.02488	3.0
121.02988	2.3
123.04519	4.5
123.08164	5.6
125.02454	2.6
125.06114	3.5
125.09729	82.1
126.10094	3.4
127.04043	13.4
127.07692	2.4
127.11304	2.5
135.04527	3.4
137.02455	2.0
139.03922	1.7
139.11307	3.2
141.09273	9.1
143.07130	14.0
149.02434	3.6
149.06053	2.1
151.00359	2.7
151.04005	5.2
152.01263	1.4
153.05585	52.9
154.05974	2.1
155.10757	1.8
157.08701	2.3
159.10266	11.2
160.10640	1.8
163.04030	2.6
165.01935	2.1
165.05586	2.3
167.03471	6.9
169.01450	2.3
169.05070	40.2
169.08675	2.1
169.12366	6.7
171.10272	18.3
173.08212	1.9
173.11812	3.8
173.29834	1.4
177.01996	1.7
179.03506	8.9
180.04202	4.8
181.05075	6.7
187.09758	10.6
189.07693	6.2
190.99802	2.7
193.01407	16.1
194.01842	2.0
195.02936	11.0
196.03444	1.7
200.04700	1.8
207.02988	4.8
209.04620	4.7
221.07201	3.0
223.02452	7.4
228.04253	3.1
231.39940	1.5
241.51445	1.6
247.20674	12.6
265.18011	8.7
265.21649	8.1
271.06335	2.1
283.19168	13.2
283.21976	2.0
285.17093	31.3
291.19690	5.2
301.23657	1.6
309.20728	14.5
315.12375	5.6
322.44391	1.5
327.12317	3.2
327.18088	17.9
327.21835	18.6
330.14713	6.0
337.11484	1.8
345.06113	3.7
345.09903	18.0
345.19116	92.7
345.22891	100.0
346.19409	7.6
346.23212	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	345.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	3.3
59.01380	40.4
69.03452	1.9
69.28440	3.9
69.28837	9.3
79.00841	1.8
83.05025	6.2
85.06611	2.8
95.05038	3.7
97.06597	17.4
99.08162	3.7
111.08169	19.7
123.08157	6.3
125.06088	5.2
125.09731	65.4
127.07625	2.3
127.11233	2.1
137.95862	2.1
141.09233	23.3
143.07149	31.8
149.06107	1.9
149.66605	1.9
153.05566	2.7
159.10268	25.1
160.10568	2.2
166.02724	2.1
169.08658	1.9
169.12317	5.2
171.10284	12.3
173.08151	2.2
173.11800	3.0
187.09729	11.5
189.07687	7.3
190.07927	2.1
197.11902	2.7
201.11348	3.1
212.81393	1.8
247.20805	9.2
265.18106	5.8
265.21698	4.4
283.19211	10.9
285.17123	31.1
285.20337	3.4
286.17508	4.2
291.19598	4.8
309.20740	9.1
314.97916	3.4
327.18079	12.8
327.21744	9.4
330.00308	3.3
345.02652	3.4
345.10074	4.4
345.19125	100.0
345.22882	94.2
346.19397	8.3
346.22943	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	345.2073
Annotation	Syringenin-4-O-geranyl ether
Peak:m/z	Relative Intensity
55.01871	0.9
69.18554	1.6
69.18974	1.0
71.05028	0.7
76.42305	0.4
79.01897	1.1
79.05514	1.4
79.69391	0.3
85.06595	2.8
87.04494	0.5
95.05032	1.7
95.83123	0.4
97.02957	0.5
98.22584	0.8
102.32568	0.3
103.47488	0.3
107.04996	0.5
109.06581	1.5
111.04527	4.7
119.08676	0.5
123.08176	4.5
135.08197	0.5
138.03230	1.8
139.03970	0.8
160.99889	0.4
161.09673	1.1
163.07710	0.5
165.01938	0.5
165.09203	3.7
166.02707	1.7
166.09660	0.5
175.11333	0.4
177.12889	1.6
179.07133	0.5
183.39059	0.4
193.05058	0.6
201.12836	0.7
203.10834	0.3
205.08704	1.2
205.12325	1.0
207.06470	0.6
208.07410	3.7
209.08167	1.0
213.09155	0.4
215.10851	0.4
219.06622	1.3
220.06851	0.4
221.08232	1.0
229.12349	1.5
231.06586	0.4
231.13918	3.4
231.17560	0.4
233.08182	2.2
233.15552	2.7
235.09615	0.5
245.19243	0.6
247.09697	0.9
248.10396	0.4
249.11406	1.7
257.11734	0.5
257.15530	1.2
259.09723	0.9
259.17001	1.3
260.10269	0.4
275.12900	8.4
275.16504	3.3
276.13239	0.5
276.17023	0.5
277.14462	2.0
299.20169	2.8
301.14462	0.5
301.21741	5.3
302.21964	0.4
303.16043	3.7
327.19592	1.0
345.20712	100.0
346.21048	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	345.2283
Annotation	oscr#20
Peak:m/z	Relative Intensity
51.29840	0.2
57.03451	2.2
58.00595	0.4
59.01339	0.2
64.61031	0.2
69.01029	2.1
69.01443	0.5
69.03458	0.5
71.05012	0.7
83.05020	0.8
95.76003	0.2
97.06602	0.7
99.04501	0.3
99.08122	0.2
104.64466	0.2
123.08155	0.7
125.09724	3.1
127.04023	0.7
127.11301	1.8
129.34943	0.2
135.61784	0.3
137.09724	0.9
139.11307	1.9
141.12854	0.7
142.16815	0.2
143.10796	0.4
149.13527	0.2
151.04045	0.3
153.09181	0.3
153.12851	0.4
155.10791	1.1
155.13358	0.2
157.08798	0.3
167.14351	0.3
169.05080	2.5
171.10292	2.0
177.16486	0.4
179.14589	0.3
183.10271	0.4
201.11279	1.0
225.22194	0.4
247.20676	12.6
248.20998	1.1
253.21742	0.4
263.20187	0.7
265.21732	10.2
266.22040	0.8
273.18692	1.1
281.21133	0.5
283.22717	1.4
291.19662	6.4
292.20004	0.5
297.20947	0.3
301.23795	1.0
307.19141	0.4
309.20715	15.4
310.21136	1.2
321.29343	0.2
327.21759	18.6
328.22089	1.8
343.21390	0.6
345.22815	100.0
346.23175	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	345.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	2.2
58.00595	0.5
59.01382	0.6
65.10117	0.2
69.03458	0.4
69.09692	1.9
71.05022	0.8
82.99070	0.2
83.05029	0.7
85.06583	0.3
89.84631	0.3
95.05042	0.4
97.06599	0.9
98.22531	0.5
109.02987	0.3
109.06557	0.5
111.08108	0.3
113.09747	0.4
123.08179	0.8
124.01627	0.2
125.09721	3.5
127.11287	2.2
134.03740	0.5
137.09723	0.7
139.11284	2.5
140.25287	0.3
141.12843	0.7
143.10793	0.4
146.03726	0.3
147.04520	0.6
148.05333	0.7
149.06087	3.8
151.00346	0.3
151.04018	0.5
153.12865	0.6
155.10818	1.2
157.08690	0.2
164.04765	0.6
166.02797	0.3
167.14420	0.3
169.05135	0.3
169.12303	0.3
171.10292	2.7
177.16559	0.3
179.07202	0.4
182.02225	0.2
183.10258	0.7
187.09720	0.2
201.11324	1.3
203.07100	0.3
203.09154	0.3
209.49194	0.2
228.04359	0.4
243.06638	0.9
247.20676	12.7
248.21025	1.5
253.21761	0.7
260.89645	0.2
263.20084	0.7
265.21759	10.2
266.22058	1.1
273.18616	1.0
281.21213	0.8
283.22858	1.8
291.19720	7.0
292.20126	0.4
301.23810	1.1
309.20731	17.0
310.21127	1.6
314.97879	0.7
327.21790	20.5
328.22009	1.7
330.00116	0.4
345.02631	0.6
345.22827	100.0
346.23148	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	345.2285
Annotation	oscr#20
Peak:m/z	Relative Intensity
54.55465	0.4
56.72881	0.5
57.03455	1.1
58.00586	0.6
59.01377	1.9
68.53249	0.4
69.09514	1.1
69.09918	3.6
71.01381	0.8
71.05012	1.0
72.27713	0.4
73.02924	0.9
73.76936	0.4
85.02949	0.6
85.06583	1.3
97.06602	0.8
98.21842	1.0
101.02404	0.5
107.01409	0.7
107.04972	0.6
108.02212	0.7
109.02951	1.2
109.06602	0.9
113.09743	0.6
115.07647	1.4
123.00945	0.6
123.04536	0.7
123.08217	0.5
125.06099	1.0
125.09718	2.5
127.11308	4.5
127.47581	0.5
135.04521	1.4
136.59921	0.5
137.02449	0.5
137.09738	1.2
139.07619	0.6
139.11319	0.6
145.08711	1.1
149.06087	2.1
151.00346	1.3
151.07657	0.6
155.10783	3.0
157.12321	1.3
165.09201	1.7
167.14410	0.5
171.10239	2.0
181.12349	2.0
183.10252	1.7
187.00397	0.8
187.07790	0.4
193.12418	0.6
195.72670	0.6
197.64124	0.5
199.05217	0.5
199.09746	0.8
199.13394	1.4
201.11328	15.7
201.13188	0.8
202.11646	0.9
202.70630	0.6
211.13454	2.4
214.99890	1.5
230.99304	2.8
242.99316	1.5
258.98706	1.0
270.98868	0.6
285.11307	0.8
286.98395	8.6
287.98846	0.7
301.03485	1.1
309.20691	0.6
314.97876	17.7
315.98123	1.9
327.21765	6.6
330.00189	14.5
331.00537	1.9
345.02527	10.5
345.14059	3.8
345.22815	100.0
346.02817	1.6
346.19318	0.8
346.23212	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	346.0118
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	65.2
60.01707	6.3
61.01803	1.8
61.98833	100.0
64.24979	0.9
70.16328	1.7
92.96673	0.8
98.22470	0.9
105.28077	1.0
122.18115	0.8
157.03601	0.9
158.03581	1.6
159.03352	2.5
201.02567	9.8
202.02724	28.8
202.98918	0.8
203.02289	34.4
203.99982	40.3
204.02701	10.4
205.00137	3.3
205.02864	1.6
211.34959	0.8
331.02844	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.078
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89255	0.5
69.19994	1.2
69.20403	1.9
71.01376	0.8
81.34295	0.4
87.00887	0.4
96.96031	4.4
101.36178	0.4
111.00898	1.6
120.99678	0.5
121.42508	0.4
139.00386	8.9
139.99846	0.6
146.56149	0.4
164.27165	0.4
167.99387	10.4
169.00174	84.7
170.00609	2.3
182.00975	0.5
183.01711	3.7
184.02519	100.0
185.02881	3.1
224.11552	0.5
346.07782	26.4
347.07974	1.6
347.11694	3.1
347.15631	0.5
347.16895	0.4
356.73758	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14432	9.0
57.05956	8.2
59.01371	35.5
61.98820	28.2
71.01389	13.0
71.27102	15.0
71.62814	9.0
72.99328	19.4
74.99109	75.8
78.95921	22.1
85.02976	10.6
87.00867	15.9
89.99905	9.2
95.58333	9.0
110.02452	17.6
113.02440	14.5
120.99683	11.7
123.00898	100.0
136.99152	41.0
138.03262	57.2
139.04010	36.8
159.79709	10.6
161.04565	20.9
179.03459	25.1
194.05908	27.7
206.09564	12.8
209.08202	48.5
210.08339	11.8
216.51758	10.0
223.11993	14.3
267.11017	11.8
271.32141	9.1
301.09222	21.1
347.08060	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	347.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60466	0.6
56.28023	0.6
111.00897	12.4
123.00884	8.0
123.01669	0.8
124.01691	1.3
135.04538	2.1
135.28645	0.6
136.01593	0.6
137.02516	0.9
149.02467	6.7
151.00377	31.9
151.03879	0.7
152.01163	80.8
153.01482	3.1
159.28859	0.6
164.04814	15.8
165.01944	0.8
165.05597	3.9
166.01288	1.1
166.02724	24.9
167.03502	100.0
168.03818	3.2
179.03557	0.9
179.07162	8.6
180.04190	1.0
180.07426	1.0
181.08757	2.8
194.05812	0.8
195.06496	0.9
205.12334	0.7
231.30103	0.6
275.16513	2.2
333.99289	0.7
347.11420	5.5
347.14923	1.4
347.18558	4.0
347.23450	4.0
348.11868	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95345	0.6
55.43476	0.6
57.03452	1.1
59.01387	1.0
69.03485	0.8
71.01402	0.6
73.21484	0.7
74.35915	0.6
79.95747	2.9
80.05078	1.7
83.05033	2.8
90.58260	0.6
94.07628	0.6
95.05026	5.8
96.96022	91.4
97.06608	0.7
98.03757	1.4
98.21839	1.5
106.03016	1.1
109.06618	3.2
111.04528	1.8
113.06110	2.1
118.00779	0.7
121.37343	0.6
122.06125	2.4
124.05305	0.9
127.07793	0.7
135.04532	1.1
135.08179	1.0
135.50638	0.6
137.09738	2.7
139.07640	4.4
145.10223	0.9
149.09705	0.6
150.02003	1.4
152.07196	5.5
153.09219	2.2
155.10796	29.3
156.11162	1.4
171.11789	0.9
176.67404	0.7
178.05151	1.2
187.14987	0.9
199.09773	1.4
203.14439	0.8
205.15984	15.4
212.31073	0.7
214.75897	0.7
223.17053	3.2
226.18098	0.6
267.16064	15.0
268.16348	1.2
303.09866	5.7
329.10522	1.5
347.11703	100.0
348.11951	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	347.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	4.0
69.21164	10.9
69.21568	3.2
71.91593	2.2
83.05057	2.6
84.98766	2.2
86.52969	2.2
87.00888	29.6
96.95954	2.9
98.22558	4.3
102.98612	4.2
119.08659	4.7
120.99665	46.7
125.02489	4.4
137.02390	2.8
137.09732	7.6
145.10228	13.2
163.11362	2.2
169.01392	3.3
195.91805	2.1
225.11330	23.8
259.10089	22.6
285.03870	2.0
309.16965	2.1
347.11719	100.0
348.11917	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	347.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64800	0.2
56.33813	0.2
56.87772	0.2
59.01374	0.7
63.04143	0.2
69.38583	1.2
71.01378	0.7
73.20980	0.3
74.19968	0.2
79.95752	2.5
82.29465	0.2
85.02920	0.3
89.02449	0.3
95.05046	0.3
96.96020	100.0
97.95918	0.3
100.74614	0.3
101.02470	0.3
120.99671	0.4
122.97620	0.8
125.02420	0.2
134.03780	0.2
135.36586	0.2
136.04182	0.2
137.09685	0.4
155.10703	0.3
156.60620	0.2
250.00858	0.2
259.10132	0.4
329.10767	0.3
347.11716	50.2
348.12088	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	347.1169
Annotation	Compound VII
Peak:m/z	Relative Intensity
57.03438	1.2
58.99599	1.1
59.01371	1.2
65.65198	0.8
70.62565	1.5
79.05557	1.1
87.00882	18.3
97.02992	0.9
102.98626	6.1
109.02951	4.0
116.95431	1.0
119.08655	3.9
120.99663	58.3
121.02892	1.0
121.99964	1.6
122.03754	3.6
123.04532	5.0
125.02409	2.5
126.67122	0.9
137.02437	4.6
137.09718	1.5
145.09210	1.1
145.10257	15.5
149.02414	1.1
151.04080	1.1
154.02760	0.9
163.07619	1.5
163.11272	4.0
165.01947	1.1
165.05537	4.1
188.04836	1.2
203.07205	1.2
225.11336	21.8
241.08859	1.7
259.10083	25.4
289.07251	7.1
311.05289	3.6
329.10541	1.4
347.11624	100.0
347.15103	8.1
348.11975	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	347.1171
Annotation	Compound VII
Peak:m/z	Relative Intensity
56.85036	0.7
58.99601	1.1
59.01363	3.7
69.55970	4.2
73.01170	1.2
79.05544	1.6
87.00885	22.8
102.98598	2.8
107.42384	0.8
109.06590	1.0
120.99668	34.6
133.10199	1.9
145.10254	1.5
151.11285	1.3
163.11295	4.5
179.03476	1.0
181.12277	1.1
199.07976	3.6
207.10168	1.0
225.11336	14.8
241.09015	1.3
259.10092	24.3
260.10300	1.1
347.11707	100.0
348.11993	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	347.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98041	9.3
59.01372	1.2
63.96235	2.0
65.67760	0.9
67.01900	0.8
67.98454	0.8
71.29031	0.7
71.29418	0.9
72.99300	3.4
73.98296	3.3
74.99103	95.1
78.71397	0.7
83.05018	1.6
87.00874	10.8
99.02756	5.5
101.06133	1.1
108.02155	1.1
109.02924	1.3
110.01969	11.9
117.97322	1.4
118.98093	6.2
120.99651	3.1
123.00863	0.9
124.01627	1.0
127.02239	10.9
128.03038	38.6
129.03328	0.7
135.98332	2.2
136.99156	100.0
137.99445	1.0
145.05025	3.0
145.10231	1.3
161.68686	0.8
163.11279	0.9
165.12791	0.7
169.10539	3.3
179.09026	3.8
197.08353	1.3
197.10063	16.1
198.10292	1.0
209.11897	1.0
212.02092	0.8
223.08020	5.0
241.06892	0.7
241.09077	9.1
249.97881	1.0
250.95135	0.8
259.09613	0.8
329.10526	2.2
347.11591	38.8
347.24014	1.1
348.11932	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	347.117
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10514	0.6
56.98040	5.7
60.97541	0.9
63.96244	1.7
68.99561	1.5
68.99977	3.9
72.99303	3.6
73.98320	2.5
74.99100	99.2
83.17304	0.6
85.47039	0.6
87.00885	5.8
99.02747	2.4
110.01967	7.7
110.33051	0.5
117.97327	1.7
118.98101	4.4
120.99665	2.1
126.61295	0.6
127.02251	4.8
128.03030	19.5
135.98387	2.2
136.99153	100.0
137.99493	0.7
138.38580	0.6
141.54527	0.7
169.10596	1.3
178.97342	0.6
179.08990	1.8
187.51575	0.6
197.10051	6.9
209.11790	1.2
223.07977	1.6
241.09013	2.8
266.44125	0.6
275.27664	0.6
329.10324	0.7
341.07471	0.6
347.11697	29.1
348.12021	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	347.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20610	1.1
56.98026	3.2
58.61317	1.2
59.01383	8.0
70.63039	3.2
71.01379	7.2
72.99302	3.2
73.02948	2.2
73.98322	4.2
74.94637	1.0
74.99100	100.0
85.02931	2.9
87.00878	4.1
88.39879	1.3
89.02438	3.3
95.01405	1.2
96.96014	6.7
101.02454	3.9
105.89301	1.1
109.02967	16.4
110.01957	8.5
111.00853	1.4
113.02458	1.8
118.98155	2.1
120.99669	3.6
121.06535	1.2
128.03032	5.6
136.01674	2.3
136.87178	1.1
136.99153	89.7
149.05991	1.3
155.10785	5.3
161.04575	1.7
163.03967	1.3
167.10796	2.2
177.05528	1.4
183.55713	1.2
185.11833	4.5
191.03558	1.6
197.09966	1.6
199.09666	1.7
205.93678	1.0
209.11757	1.1
219.06657	4.4
223.08064	1.4
258.51572	1.2
270.92264	1.2
329.10648	1.8
338.05701	1.2
347.07700	2.4
347.11661	20.5
347.17007	11.1
348.11667	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72783	2.6
59.01390	3.0
71.01382	6.1
71.26739	2.3
72.98312	2.7
73.16515	2.8
73.92157	2.5
78.95916	32.4
81.04567	11.9
86.02531	2.4
87.00905	3.4
96.96967	6.8
103.39049	3.1
108.91206	2.8
110.02486	100.0
111.00886	33.2
111.02843	3.1
112.04044	9.5
112.08829	17.0
131.08278	22.6
142.99861	5.0
156.07790	5.5
157.09853	36.1
163.08798	9.0
173.00938	8.4
173.10431	11.9
181.09811	45.6
182.97879	5.2
199.12015	6.3
206.09323	9.1
223.12038	82.5
224.12279	4.7
243.10979	7.9
267.10986	98.8
268.11252	8.8
275.41220	3.4
311.09875	7.7
329.11023	8.0
347.06091	6.7
347.10980	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	347.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28076	0.3
59.01372	0.5
59.94566	0.3
71.28792	0.4
79.95763	1.8
87.13138	0.3
93.03470	0.4
96.96015	1.7
99.02421	0.3
108.02181	0.8
109.02967	0.8
111.04557	0.6
117.84684	0.3
121.02958	1.0
122.03751	10.7
123.00909	1.0
123.04551	0.4
124.01628	1.3
125.02377	0.4
127.11348	0.4
135.04529	0.7
137.02469	2.2
137.06091	1.0
139.04091	0.3
146.03754	1.0
149.06158	0.6
153.01987	0.4
154.02744	1.3
164.04787	1.0
166.06342	0.6
167.07144	100.0
168.07495	3.9
179.07108	1.7
199.13361	0.4
201.11310	0.5
215.12862	0.4
245.11890	0.4
259.02655	0.4
329.23465	0.6
347.11810	2.9
347.24420	8.1
348.24677	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1502
Annotation	Scabrolide D
Peak:m/z	Relative Intensity
59.01361	3.2
71.01369	2.3
71.29472	0.6
73.02915	0.8
74.06573	0.7
74.99094	3.4
83.05026	4.1
85.02966	1.0
95.05009	1.0
96.96005	1.7
97.06604	1.3
97.73351	0.7
98.08264	0.6
101.02438	2.3
101.06081	1.2
107.05008	1.1
108.02186	1.5
109.02953	1.7
111.71571	0.7
113.02451	1.5
121.02975	4.2
122.03797	4.1
123.00901	1.5
123.04544	4.7
125.06067	1.1
134.03694	1.8
135.04539	25.2
136.01677	1.2
136.05238	3.2
136.99133	2.4
137.02426	2.8
138.03148	0.8
139.00395	1.5
139.04131	0.8
145.05061	3.3
147.04517	2.3
148.05310	1.5
149.06099	4.5
151.03987	2.1
151.07664	0.8
151.78835	0.7
153.01935	0.8
159.06590	1.1
161.06088	8.7
162.03201	0.9
163.00278	1.4
163.03998	4.3
165.05597	1.4
166.06357	2.0
167.07140	2.0
168.04242	1.1
177.05554	1.0
179.03487	1.7
179.07176	1.0
180.04359	1.2
180.07933	28.3
181.05162	1.1
181.08710	10.8
181.46161	0.7
182.05804	1.9
190.06383	1.0
191.07104	1.0
192.07933	6.2
193.08699	12.2
194.05864	5.3
194.09091	0.9
195.06567	1.5
197.59381	0.7
209.08159	4.7
212.06857	3.7
219.08638	0.9
233.10350	0.7
242.02208	0.8
269.08182	1.1
283.09708	1.5
285.11237	1.2
294.76328	0.8
297.11264	0.9
299.09116	0.9
299.12460	0.9
302.07971	1.3
313.10654	1.7
314.11658	6.1
317.10526	1.7
317.13950	26.9
318.14267	1.8
329.13998	12.8
347.14966	100.0
348.15372	7.4
358.85730	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
57.55327	0.2
59.01357	0.3
61.83469	0.2
78.36700	0.2
83.01393	0.3
93.03462	0.7
108.02197	0.7
109.02971	0.4
111.00832	0.3
111.04527	1.2
121.02962	8.8
122.03753	9.6
123.00848	0.3
123.04543	0.3
124.01656	2.1
135.04524	3.2
136.01668	0.5
137.02461	1.8
137.06107	0.9
139.04025	0.8
149.02454	3.6
150.02916	0.3
151.03995	0.3
153.01880	0.5
154.02725	1.6
163.04033	0.9
164.04803	8.1
165.01996	0.3
165.05423	0.4
166.06363	10.9
166.82268	0.2
167.07140	100.0
168.07481	4.1
179.07153	4.1
191.03452	0.3
195.10275	0.3
200.08417	0.6
207.03006	1.8
215.10599	0.3
228.87415	0.3
233.13843	0.3
238.98666	0.2
242.77982	0.2
256.11618	0.2
259.09750	0.5
303.08786	0.7
329.14053	0.5
347.07874	0.3
347.11197	0.5
347.15033	5.0
347.19144	0.3
347.24362	0.9
348.15363	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	3.2
71.01369	2.3
71.29472	0.6
73.02915	0.8
74.06573	0.7
74.99094	3.4
83.05026	4.1
85.02966	1.0
95.05009	1.0
96.96005	1.7
97.06604	1.3
97.73351	0.7
98.08264	0.6
101.02438	2.3
101.06081	1.2
107.05008	1.1
108.02186	1.5
109.02953	1.7
111.71571	0.7
113.02451	1.5
121.02975	4.2
122.03797	4.1
123.00901	1.5
123.04544	4.7
125.06067	1.1
134.03694	1.8
135.04539	25.2
136.01677	1.2
136.05238	3.2
136.99133	2.4
137.02426	2.8
138.03148	0.8
139.00395	1.5
139.04131	0.8
145.05061	3.3
147.04517	2.3
148.05310	1.5
149.06099	4.5
151.03987	2.1
151.07664	0.8
151.78835	0.7
153.01935	0.8
159.06590	1.1
161.06088	8.7
162.03201	0.9
163.00278	1.4
163.03998	4.3
165.05597	1.4
166.06357	2.0
167.07140	2.0
168.04242	1.1
177.05554	1.0
179.03487	1.7
179.07176	1.0
180.04359	1.2
180.07933	28.3
181.05162	1.1
181.08710	10.8
181.46161	0.7
182.05804	1.9
190.06383	1.0
191.07104	1.0
192.07933	6.2
193.08699	12.2
194.05864	5.3
194.09091	0.9
195.06567	1.5
197.59381	0.7
209.08159	4.7
212.06857	3.7
219.08638	0.9
233.10350	0.7
242.02208	0.8
269.08182	1.1
283.09708	1.5
285.11237	1.2
294.76328	0.8
297.11264	0.9
299.09116	0.9
299.12460	0.9
302.07971	1.3
313.10654	1.7
314.11658	6.1
317.10526	1.7
317.13950	26.9
318.14267	1.8
329.13998	12.8
347.14966	100.0
348.15372	7.4
358.85730	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.9
57.03450	2.3
58.00604	2.4
59.01382	64.5
65.18061	0.8
69.03458	1.9
71.01389	36.1
71.29620	1.5
72.99305	3.0
73.02959	10.5
74.99100	7.4
81.03458	1.1
83.01402	3.0
85.02959	8.8
87.00880	1.6
89.02452	29.0
95.01407	3.7
95.74775	0.9
96.95997	1.2
99.00897	1.1
101.02439	19.6
110.01906	1.2
113.02462	10.5
119.03496	11.3
125.06104	2.3
128.03009	2.3
131.02144	0.9
133.02942	0.9
136.99152	4.3
151.04103	1.1
161.04578	1.4
167.10786	20.2
169.12325	6.4
177.09244	11.6
179.53931	0.8
185.11819	7.9
191.20953	1.0
195.06633	3.4
197.10103	1.2
199.13353	1.0
201.11346	0.9
219.10126	1.2
238.08492	3.4
275.16711	2.3
303.08789	2.3
329.16278	1.1
347.17612	100.0
348.17343	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	347.1711
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
53.57638	1.0
55.01857	1.5
57.03424	1.6
58.00584	2.2
59.01384	51.4
60.16255	1.1
69.03449	1.2
69.14138	7.7
71.01388	34.5
72.99297	3.3
73.02951	11.4
83.01385	3.1
85.02967	11.6
85.03439	1.8
86.36772	1.1
87.00896	1.5
87.48668	1.0
89.02447	18.4
95.01403	2.4
96.96003	1.3
97.06603	1.2
99.00889	1.4
101.02450	23.5
108.02184	42.4
108.02928	2.4
108.36669	1.2
109.02959	3.6
113.02433	12.1
117.89092	1.0
119.03508	9.8
120.57601	1.0
123.00931	2.4
123.04533	23.0
131.03505	1.4
136.99124	1.1
137.02560	1.6
148.05319	1.3
149.06079	3.5
151.04042	1.3
152.01164	1.9
153.01958	1.7
155.10783	2.5
159.06621	1.1
161.04572	1.5
162.03230	1.5
163.04095	1.1
167.10780	24.7
168.11118	1.7
177.05591	10.7
177.09354	1.1
178.05850	1.1
185.11844	6.4
191.03491	6.1
193.05051	4.4
195.06757	1.4
197.00932	4.3
205.05066	29.5
214.61493	1.2
220.88922	1.1
223.06100	9.7
329.10355	3.3
331.06268	1.1
347.11554	8.0
347.17154	100.0
348.17688	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	347.1865
Annotation	Longikaurin A
Peak:m/z	Relative Intensity
57.57114	0.7
71.28185	0.7
71.28645	0.9
81.03467	1.2
83.01389	1.0
85.06583	1.9
87.04527	0.8
95.01369	0.7
99.08147	0.7
106.07925	0.7
107.05049	1.0
108.71206	0.6
109.02941	1.6
109.06590	3.4
111.00887	2.2
111.04537	14.9
123.08183	9.0
124.01664	4.0
125.06061	1.4
128.52319	0.7
138.03233	1.0
139.03970	1.0
151.00360	1.1
151.04013	1.9
151.07657	9.1
152.01163	10.4
153.12820	0.8
164.08331	0.8
165.09245	1.6
166.02724	1.8
167.07127	4.4
175.07718	0.8
177.09242	3.5
177.12805	1.7
179.03366	1.0
179.07208	0.9
179.10748	2.2
191.03519	1.8
191.07211	0.8
193.05103	1.0
194.05846	10.9
195.06659	20.0
196.06854	1.0
203.07164	1.2
205.15985	2.8
207.06618	1.1
208.07401	3.1
209.08174	6.0
218.02138	0.8
221.08192	22.5
222.08452	1.5
233.08246	5.8
233.15463	1.3
235.13307	0.9
243.06580	1.5
246.05240	3.3
249.11517	0.8
261.07690	51.2
262.08011	3.3
275.09329	1.9
275.20200	1.3
276.09735	1.2
277.14627	0.8
290.11639	1.7
303.08664	3.8
303.16028	1.2
303.19553	1.5
304.13147	17.8
305.13416	1.2
329.17606	1.7
347.11462	3.2
347.15344	5.0
347.18637	100.0
348.15198	0.9
348.19055	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	347.1865
Annotation	Longikaurin A
Peak:m/z	Relative Intensity
53.78863	0.8
54.40026	0.7
54.63526	0.7
59.65892	0.7
69.34882	1.5
69.35294	3.1
72.11542	0.7
74.77755	0.7
85.06595	6.6
87.04530	1.1
97.02931	1.1
111.04528	7.9
121.06588	0.8
123.04547	0.7
123.08186	4.0
128.74564	0.7
137.06059	1.2
139.04076	1.5
147.08139	1.7
149.06042	0.8
163.11307	1.0
165.09158	2.9
171.87743	0.7
173.06058	1.2
179.10732	0.9
191.03467	0.9
191.07124	5.5
191.14430	0.8
208.07387	1.5
209.08202	15.2
210.08273	1.3
215.10768	1.7
215.45923	0.7
217.12297	3.3
221.08215	2.2
233.08118	2.3
233.11845	1.1
235.09671	2.6
243.10243	1.6
261.11322	32.1
262.11572	4.2
277.14474	2.6
303.22418	2.3
305.13965	3.6
347.18570	100.0
348.18939	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	347.1867
Annotation	SPHAEROPSIDIN B
Peak:m/z	Relative Intensity
69.14852	4.6
70.86926	0.6
85.06596	6.3
87.04481	0.7
97.02915	0.6
98.22557	1.3
111.04522	8.4
111.08150	0.8
112.66568	0.5
123.08194	3.6
132.66302	0.5
137.06075	1.0
139.03990	2.4
140.40846	0.5
145.06709	0.6
147.07159	0.6
147.08153	2.7
163.07639	1.1
165.05635	0.9
165.09262	2.8
173.06018	1.0
179.10818	0.9
191.07140	4.2
208.07394	1.6
209.08185	11.4
215.10774	1.7
217.05086	0.9
217.12370	3.1
221.08220	1.2
233.08136	1.6
235.09712	2.2
243.10251	1.9
261.11313	23.6
262.11716	1.8
277.14499	1.9
303.15976	0.6
303.22424	0.9
305.13843	2.1
347.18619	100.0
348.18954	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.198
Annotation	Unknow
Peak:m/z	Relative Intensity
69.18774	100.0
74.41259	14.9
85.00452	29.2
89.25541	17.1
122.47339	16.1
138.09331	13.8
222.48114	15.4
290.58600	15.0
347.18466	16.3
347.22308	47.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2439
Annotation	Dodecyl glucoside
Peak:m/z	Relative Intensity
58.00591	0.5
59.01369	1.1
65.65797	0.5
71.01385	0.6
71.05033	0.6
73.02954	3.3
91.53182	0.5
97.06560	0.6
99.08154	1.0
121.06656	0.5
123.08160	0.5
125.09759	2.2
127.11278	4.6
135.05420	0.4
139.11293	0.6
143.10793	1.3
149.02466	0.7
151.84854	0.4
152.01178	0.8
155.10803	2.5
157.12309	0.8
164.04796	1.9
167.03505	1.5
167.07101	0.6
171.03017	0.6
171.10263	4.4
179.07150	2.1
181.12378	1.1
185.11804	0.5
186.70964	0.5
189.05638	0.6
197.11790	0.8
199.13428	4.8
199.46277	0.5
201.11320	9.1
215.12914	6.5
217.14569	0.6
288.13605	0.5
290.44931	0.4
303.16080	1.4
306.94489	0.5
309.20575	0.6
311.22305	0.9
327.21658	1.3
329.23358	8.4
330.23511	0.5
347.15359	4.9
347.24387	100.0
348.24777	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.5
58.00598	0.5
59.01375	1.1
64.21487	0.5
71.05019	0.9
73.02954	2.9
73.32005	0.5
95.91772	0.5
96.96044	1.2
99.08147	0.7
123.08147	0.7
125.09762	2.9
127.11292	4.9
137.09740	1.0
141.09267	0.6
143.10779	1.2
155.10779	1.8
157.12389	1.0
167.03488	0.9
171.10255	4.8
181.12350	1.0
185.11697	0.5
197.11885	0.7
199.09698	0.9
199.13411	5.5
199.15016	1.2
201.11333	12.1
215.12895	6.3
217.14471	0.9
239.14275	1.1
285.00198	0.6
293.21371	0.7
303.15564	0.6
309.20627	0.8
311.22324	1.2
327.21793	0.7
328.99597	0.6
329.23343	9.4
330.23807	0.8
347.07858	1.3
347.24402	100.0
348.24826	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	348.9863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81327	0.3
59.01382	1.3
60.17905	0.4
61.98835	100.0
62.98546	0.7
63.99263	1.0
69.11144	2.6
75.49206	0.3
109.34011	0.4
119.26347	0.3
162.98502	1.1
203.02245	0.4
203.99989	1.2
205.00159	2.8
205.99760	4.0
206.97459	52.7
207.97601	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	349.093
Annotation	CHEBI:90270
Peak:m/z	Relative Intensity
55.01885	1.7
59.01361	1.2
65.09236	0.6
68.99766	0.6
85.02964	0.8
98.21722	1.3
109.02928	3.5
111.00895	6.6
111.04528	5.6
111.51286	0.8
129.07158	1.0
132.97130	0.7
137.02444	5.2
139.00383	26.2
140.00587	0.9
145.06607	0.8
149.06039	1.2
151.04015	1.5
161.06071	1.7
167.07114	1.2
171.04477	1.3
173.02353	0.9
173.06128	1.7
174.03229	0.7
175.03928	0.8
177.01973	1.2
187.04089	1.1
188.04800	1.1
189.05583	6.0
193.05025	4.1
193.08685	1.2
201.01968	2.0
203.07104	1.5
205.05067	1.3
206.02191	0.9
209.08194	2.4
215.03548	3.5
216.04277	0.8
216.07857	0.9
217.05072	2.8
218.05849	1.6
219.06523	1.4
221.08214	4.3
229.05019	1.4
230.05917	1.2
231.03014	0.9
231.06750	1.0
231.10217	2.4
241.08748	5.9
243.02995	2.3
243.06683	0.9
243.10251	1.1
244.03777	1.4
244.07408	2.9
245.04497	2.1
246.05336	7.7
247.06003	1.9
248.06924	12.3
249.07686	14.8
257.04578	2.4
259.09753	28.5
260.10092	2.0
269.08228	2.8
272.06940	7.3
277.10831	6.1
287.09274	100.0
288.09576	9.8
305.10321	5.7
331.08252	25.1
331.11240	0.6
332.08505	1.8
349.09305	14.3
349.13007	0.6
349.16235	0.8
350.09644	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08906	0.9
54.63991	0.7
57.03444	2.0
59.01371	1.8
59.28517	0.8
64.96707	0.8
71.01373	1.8
83.01392	1.2
84.34782	1.0
87.00873	2.3
96.96027	1.7
109.02963	1.1
120.99667	47.9
122.99240	1.3
125.02412	1.0
127.57372	0.8
136.07697	1.6
138.09195	1.0
151.03998	1.1
165.12885	0.9
171.73682	0.7
183.10272	100.0
184.10611	4.8
191.03450	0.9
227.09251	19.7
227.12825	1.6
228.09607	1.1
247.02428	1.4
261.11917	1.3
349.12958	4.6
349.18588	2.7
363.24048	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.6
59.01384	39.8
61.98826	4.5
65.99847	5.3
67.01853	1.8
69.22360	11.8
71.01394	24.0
73.02937	6.1
82.02996	18.7
83.01386	4.0
85.02938	11.9
87.00872	1.9
87.04532	2.2
89.02465	11.0
98.22536	3.3
99.00870	3.7
99.04533	4.2
101.02465	21.2
106.03004	7.4
113.02453	13.7
113.14969	2.1
115.04026	2.5
116.29008	2.0
117.95113	2.2
119.03529	3.9
120.99671	3.3
121.04057	1.9
122.03716	2.1
122.06118	5.3
125.02430	2.5
125.41237	1.8
136.04047	3.2
138.05649	13.8
148.07724	3.0
149.03580	4.5
149.04747	3.7
160.04024	2.0
161.04617	5.0
163.05118	7.4
164.03537	38.4
165.03935	2.2
169.08708	6.3
174.05637	4.8
176.10797	2.9
178.02776	2.8
187.00400	4.1
187.09715	5.1
188.07172	2.3
190.08762	33.0
191.04639	31.1
191.08174	3.1
201.11272	5.7
202.08736	7.0
204.05363	2.5
205.06244	2.5
214.99876	7.2
216.00645	4.6
217.06245	14.9
218.11882	42.8
219.03070	3.9
219.12036	2.4
230.02130	6.0
231.07607	9.6
231.15013	2.5
233.09328	96.6
234.09601	5.9
244.04924	15.8
244.09819	10.9
245.04587	16.8
245.09317	22.6
247.02536	3.6
249.06046	3.3
258.06363	4.2
259.07245	46.8
261.12476	21.5
261.15369	2.5
263.10388	3.2
271.07217	23.9
275.01993	24.2
277.08310	9.1
287.10416	70.6
287.13522	2.4
288.10736	5.3
289.03665	3.8
290.04276	8.2
305.06638	4.4
305.11462	18.4
317.03232	3.2
331.09372	63.8
331.12814	3.2
332.09625	5.9
334.03311	3.2
349.10385	100.0
349.14917	54.0
349.18866	5.2
350.10788	11.2
350.14795	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	349.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.9
56.03613	1.3
57.03435	2.2
59.01382	29.5
61.98830	2.8
62.43695	1.5
65.99841	3.9
68.99831	1.7
69.34369	9.6
71.01390	17.2
73.02944	5.0
82.02989	18.0
83.01398	3.7
85.02930	9.2
87.00892	2.4
89.02467	10.1
95.01379	2.6
99.00888	3.2
99.04527	3.8
101.02461	11.8
103.04265	1.7
106.03048	7.3
113.02448	10.7
119.03526	3.8
120.99672	3.6
122.06125	4.6
125.02469	2.4
136.04030	3.3
138.05627	9.4
142.18900	1.4
148.07669	3.9
149.04767	3.3
161.04662	4.2
163.05159	3.1
164.03535	32.1
164.04825	2.8
165.03943	1.9
169.08728	4.3
174.05670	2.6
176.07085	1.9
176.10773	3.4
187.00229	1.8
187.06244	2.0
187.09743	3.7
188.07185	3.1
190.07182	2.6
190.08778	32.6
191.04630	28.7
191.08295	6.4
201.11433	1.6
202.08716	8.7
217.06184	14.8
218.11880	41.9
219.07843	1.6
229.06073	3.7
231.07727	6.7
233.09338	93.5
234.09637	6.1
243.03905	1.7
244.04901	14.3
244.09793	9.0
245.04944	2.8
245.09329	17.9
249.06230	2.0
257.13037	2.2
258.06482	5.6
259.07239	36.0
261.12436	23.3
263.10373	2.3
267.07281	3.6
271.07239	24.7
272.07843	2.5
275.01993	6.6
277.08362	7.7
287.10413	57.0
287.13535	3.3
288.10855	4.8
290.04190	2.4
305.06836	1.7
305.08392	1.6
305.11456	13.9
306.11880	2.3
324.26599	1.9
331.09409	58.9
331.13083	6.1
332.09662	6.0
349.10434	100.0
349.14957	40.1
349.18878	4.6
350.10699	10.7
350.14725	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	349.1141
Annotation	Prodiamine
Peak:m/z	Relative Intensity
57.03432	3.0
59.01383	16.4
67.01895	0.9
68.79982	0.9
68.99799	2.0
69.24704	3.8
69.25108	1.7
71.01388	19.4
72.99326	4.8
73.02940	1.5
75.00873	19.3
76.04560	0.9
85.02953	19.2
87.00892	8.0
89.02448	4.6
91.03948	0.9
93.06126	0.9
95.01393	4.3
98.22544	2.0
99.00888	10.1
99.04528	100.0
99.98448	0.9
100.04892	2.0
103.00356	1.5
107.80735	0.8
109.02938	1.4
113.02458	24.2
114.02779	1.0
115.00378	1.5
117.01946	3.4
120.99676	2.6
125.02456	1.1
126.82752	1.0
129.01941	2.1
175.02396	2.1
183.10248	3.9
193.70869	0.9
231.05132	3.0
247.02562	1.3
249.06160	25.5
250.06491	1.2
261.11655	1.1
267.07260	6.1
289.09412	1.4
317.14133	1.2
331.10208	1.9
349.11392	58.8
350.11691	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	349.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80899	0.5
55.01872	0.7
55.37711	0.6
60.28374	0.6
62.48599	0.5
65.18509	0.5
69.01357	1.4
69.01766	5.1
71.05031	1.1
73.19750	0.6
79.01889	3.9
83.05061	0.8
85.02900	0.7
85.06592	4.0
87.04512	2.4
95.05048	2.9
97.02944	3.2
107.05076	0.8
108.99756	0.5
109.06606	2.7
111.04521	11.6
111.08188	1.3
121.02968	0.7
121.06599	0.9
123.04541	0.9
123.08182	5.1
135.04532	0.6
135.08180	1.0
137.06119	2.5
139.04007	7.4
141.09204	0.8
147.08185	3.7
149.06114	0.6
149.09740	1.2
150.06866	0.9
151.07663	2.9
163.07578	0.9
165.01897	1.6
165.05623	0.7
165.09216	22.9
166.02689	1.5
167.07123	1.3
169.05051	1.4
179.07085	1.2
181.05063	1.2
181.08760	1.2
191.07156	3.4
191.10796	1.0
193.01434	2.1
193.08728	1.1
193.12363	0.7
207.06693	1.1
209.08199	100.0
210.08534	4.7
217.04977	0.7
217.08621	0.7
220.03764	4.6
220.11093	1.7
221.08209	1.2
228.62074	0.7
233.08197	1.6
235.06123	53.7
235.09843	2.0
235.13428	2.0
236.06554	3.6
237.14929	1.3
246.05222	1.1
248.06854	0.8
261.07611	3.2
261.11758	0.6
261.14935	1.5
263.05612	10.7
263.12964	5.9
264.06131	0.6
277.10858	0.6
287.09476	0.5
287.12769	0.7
291.12396	0.8
303.12418	1.2
305.13940	7.9
306.14407	1.1
321.13449	13.1
322.13541	0.9
331.11856	8.7
331.15469	0.9
332.12460	0.8
349.08963	1.5
349.12909	12.6
349.16638	3.6
349.19925	5.3
349.24020	0.9
350.13202	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	349.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.9
61.98817	0.8
68.15818	0.9
79.95744	13.6
87.04533	6.9
95.95233	11.1
96.96019	100.0
122.97596	33.4
160.85399	0.8
177.02002	1.1
191.03827	5.2
241.61110	0.8
250.08757	1.5
269.00983	1.2
269.17670	1.9
282.07870	0.9
305.14127	1.2
305.21170	0.8
349.13266	72.3
349.20273	7.2
350.13608	5.6
374.69229	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1656
Annotation	Leucanthanolide
Peak:m/z	Relative Intensity
52.78604	1.7
59.01358	2.8
60.00062	1.9
70.49183	3.6
70.49487	2.1
86.75115	1.8
98.22463	2.2
105.03397	2.6
132.02164	7.7
132.48242	1.7
133.02969	26.4
134.03773	18.5
135.04556	12.5
137.02458	11.8
139.03973	4.8
148.05304	5.1
160.01688	39.9
161.02483	16.7
161.06033	4.3
173.11833	13.8
175.04013	78.4
176.04335	5.3
178.02742	4.5
179.03558	8.7
193.05086	5.1
214.89532	1.7
225.75566	1.8
233.08080	3.0
247.09798	11.8
300.49783	2.0
317.13876	13.0
349.16568	100.0
349.23392	4.3
350.16907	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	349.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87854	0.5
57.03439	0.9
69.03457	2.1
69.41081	1.8
69.41489	0.9
85.02948	1.6
87.04540	0.5
99.72679	0.5
111.04523	0.9
113.02463	100.0
113.09740	7.8
113.44342	0.5
114.02795	3.7
126.49548	0.5
156.89517	0.7
166.06363	1.0
181.08725	60.6
182.09056	3.5
209.08197	1.0
287.99835	0.9
305.17566	0.6
306.00735	2.2
349.16641	1.6
349.20212	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.166
Annotation	Leucanthanolide
Peak:m/z	Relative Intensity
57.03440	2.0
59.01376	0.9
61.19461	0.5
68.99811	0.8
69.24176	0.5
69.37181	3.3
85.02959	3.2
85.06592	2.3
87.04524	14.1
95.03414	0.6
95.05032	1.9
98.22494	0.7
111.04514	1.4
111.08150	0.5
113.06096	1.0
113.09736	9.3
139.04025	0.7
153.05592	5.3
155.07140	1.5
163.07704	0.5
165.05472	0.5
165.09222	1.2
181.05077	37.9
181.08611	3.2
182.05432	2.3
193.05064	0.8
196.07324	1.5
207.10333	0.6
209.08194	8.8
210.08563	0.7
219.10153	0.7
226.43219	0.5
226.67505	0.5
246.08994	1.3
261.11346	1.3
267.12476	0.8
271.13501	0.5
305.14020	0.7
305.17435	1.1
321.17026	10.6
322.17526	1.1
349.16553	100.0
349.20026	5.9
350.16895	11.0
350.20547	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92012	0.7
55.01882	4.0
56.73550	0.8
57.03439	3.7
57.87918	0.7
58.00591	3.8
59.01382	100.0
60.01709	1.1
65.33859	0.7
69.37340	4.2
71.01386	84.6
72.01717	1.3
72.99306	4.0
73.02949	13.3
76.80434	0.9
83.01387	7.2
85.02956	28.2
87.00877	4.5
87.75949	0.7
89.02451	60.9
95.01401	6.2
97.02940	1.5
98.95596	0.8
99.00883	5.4
101.02451	61.7
102.02751	0.9
113.02457	33.4
114.02792	1.2
119.03509	28.0
125.02452	1.5
131.03505	3.6
143.03520	5.7
149.04515	1.8
153.09177	1.0
159.02995	4.2
161.04576	22.5
162.04926	1.1
165.97258	0.9
179.05609	9.3
179.07042	1.4
187.06067	1.5
187.13370	10.0
349.11990	1.0
349.18716	20.4
350.19156	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1869
Annotation	Sachaloside VII
Peak:m/z	Relative Intensity
55.01870	1.7
57.03442	2.4
58.00587	4.3
59.01383	100.0
69.77682	2.1
69.78061	1.9
71.01387	73.6
72.99304	4.2
73.02944	9.8
75.00871	4.7
83.01386	4.9
85.02960	23.5
87.00876	4.7
87.04499	1.3
87.55490	1.1
89.02452	67.4
89.57257	1.2
92.76141	1.2
95.01385	5.3
99.00886	6.8
99.04525	18.0
101.02448	49.2
113.02452	34.2
119.03504	28.5
125.02444	1.9
131.03419	2.5
143.03506	4.0
149.04552	1.6
159.03070	1.5
161.04584	17.7
171.81145	1.2
179.05647	12.0
187.13393	11.2
189.50620	1.4
249.06136	4.9
277.14929	1.4
349.11676	9.2
349.18677	35.8
350.18961	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	349.1868
Annotation	Sachaloside VII
Peak:m/z	Relative Intensity
50.45675	1.0
55.01867	4.9
57.03451	2.7
58.00587	4.0
58.98342	1.0
59.01382	100.0
60.01728	1.1
61.98833	1.1
66.60526	1.0
69.03468	1.3
71.01386	87.8
72.99308	4.8
73.02946	18.5
74.99091	2.3
75.00874	1.6
77.03149	1.2
83.01395	9.8
85.02956	31.0
87.00889	7.6
87.04528	3.7
89.02450	62.8
90.07817	1.2
95.01397	6.2
96.96024	3.7
97.02949	1.6
98.95605	4.9
99.00909	7.4
101.02447	61.9
110.06149	1.8
113.02462	34.9
115.92103	1.5
116.92852	5.3
119.03513	21.9
120.99654	1.6
122.06118	3.1
125.02483	2.1
131.03481	2.6
134.03619	3.9
136.07678	8.8
137.08054	1.3
138.09261	3.2
143.03491	4.5
150.59285	1.1
151.04007	1.7
159.02998	4.7
161.04568	26.9
168.06642	1.5
169.00232	1.6
170.00626	1.6
171.00687	1.3
176.04649	2.1
179.05635	7.0
186.02992	1.3
187.13371	7.7
192.04012	1.3
218.15373	1.1
261.11768	1.4
286.76526	1.4
305.12247	1.3
349.11331	2.1
349.14398	10.7
349.18726	24.0
350.19196	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	350.0523
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.8
61.98835	100.0
66.51977	1.4
79.46152	1.6
85.06609	5.7
86.06889	1.7
88.70715	1.5
99.06226	1.6
110.85241	1.7
120.35626	1.7
133.03015	2.5
135.04532	12.4
147.04541	16.5
151.00371	1.7
159.04480	2.1
160.15443	1.7
161.02419	7.7
171.04561	2.5
177.05602	4.5
189.05579	13.8
215.03572	5.5
271.14221	1.6
305.24756	2.5
306.25208	2.1
315.01498	1.8
323.60522	1.9
348.11160	1.6
349.20135	4.9
349.24011	6.0
350.20493	4.3
350.24170	4.7
351.08810	12.0
351.21762	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	351.018
Annotation	5,7,4'-Trihydroxyflavanone 7-sulfate
Peak:m/z	Relative Intensity
50.06085	0.8
56.71047	0.7
65.03951	1.7
67.01897	1.0
67.90900	0.9
69.26343	4.1
69.26748	1.1
69.97646	0.7
79.95744	2.2
80.96520	6.5
91.01904	25.6
92.48331	0.7
96.96028	1.3
109.02960	42.0
110.03303	1.1
121.02939	3.0
135.00896	84.9
135.04524	7.5
136.01219	2.8
149.02425	1.6
153.01967	3.3
169.06598	0.8
176.62547	0.7
181.06670	1.2
188.88753	0.8
193.08536	1.2
197.06192	0.9
201.05710	1.0
209.06161	2.0
211.04065	1.6
212.04749	2.2
224.04845	1.3
225.05557	7.1
226.06281	1.1
227.07155	6.0
228.04239	1.1
229.05045	1.2
238.02802	0.9
241.05133	3.3
243.06650	1.4
252.04433	1.0
253.05080	52.3
254.05603	8.4
256.03766	28.8
257.04272	2.9
269.04587	4.3
270.05396	7.7
271.06125	92.1
272.06473	7.9
297.04083	2.3
310.38995	0.8
351.01804	100.0
351.21634	1.2
352.02118	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	351.0177
Annotation	5,7,4'-Trihydroxyflavanone 7-sulfate
Peak:m/z	Relative Intensity
52.77842	0.6
59.01375	1.0
63.02394	2.9
65.00329	8.9
67.38564	0.6
73.58274	0.6
83.01394	8.2
93.03471	3.8
96.08985	0.6
96.96048	2.0
98.22536	1.7
107.01400	14.8
107.02142	0.5
108.01726	0.9
110.76353	0.8
117.03510	0.9
119.05038	27.5
120.05383	1.7
121.02950	0.9
125.02480	1.3
132.14336	0.7
140.31966	0.8
142.82718	0.7
143.04979	1.3
145.02939	2.2
151.00380	58.2
151.52284	0.6
152.00694	2.8
157.06610	0.9
161.06085	1.9
165.01944	7.0
169.01405	2.4
177.01936	3.4
185.06100	3.8
187.04028	4.2
199.07724	0.9
205.90091	0.6
227.07091	4.3
232.50433	0.7
259.76147	0.7
261.00314	0.7
261.46280	0.7
271.06128	100.0
272.06488	8.3
274.03305	0.7
281.81778	0.7
314.59149	0.6
320.96555	1.4
335.98819	1.9
350.60095	1.1
351.01807	10.7
351.08887	0.8
351.10675	0.9
351.14502	1.3
351.18106	1.5
351.21906	2.0
352.01801	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69823	0.2
54.60470	0.3
56.59391	0.2
60.93428	0.2
71.29685	0.5
73.52648	0.2
79.95736	2.0
83.05048	0.3
96.96019	100.0
97.95969	0.5
106.11182	0.3
107.05033	0.3
122.50834	0.2
127.07656	1.0
143.07118	0.9
191.14421	0.5
209.15480	0.7
224.18192	0.3
235.13440	1.7
253.14505	2.3
261.00372	0.4
271.15518	11.4
272.15848	0.9
351.11215	41.5
352.11505	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	351.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.3
58.73647	1.2
59.01384	100.0
60.01738	1.1
60.29223	0.9
70.47575	2.4
71.01385	14.8
73.02945	3.9
85.02948	4.9
87.00845	1.2
89.02438	4.5
95.01405	1.5
99.00885	1.7
101.02452	8.4
107.43343	1.3
113.02473	6.5
119.03503	2.4
127.07639	3.7
146.06178	1.7
153.05614	3.3
159.03044	1.2
161.04549	10.4
171.06618	1.7
173.04582	1.0
177.51347	1.2
179.05595	1.4
186.57494	1.0
189.07700	3.8
189.11330	1.0
225.68719	1.1
272.96329	1.8
351.12787	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	351.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.9
57.03444	1.9
57.41136	0.5
57.78657	0.5
59.01382	13.6
59.06427	0.7
61.98824	0.6
68.99812	1.4
71.01387	13.9
72.99309	4.0
73.02941	1.4
75.00874	16.4
84.92094	0.7
85.02479	1.1
85.02959	14.9
87.00877	6.6
89.02444	3.1
95.00831	0.6
95.01395	3.9
99.00877	8.4
101.02377	0.8
101.06089	100.0
102.06443	2.3
103.00392	1.4
109.02929	1.1
111.00902	0.9
113.02457	19.3
114.02780	0.7
115.00385	2.1
117.01948	2.2
129.02057	0.8
132.82147	0.6
139.22284	0.6
157.01422	1.1
160.32869	0.6
166.11801	0.6
175.02477	2.1
200.98886	0.7
205.07140	0.7
231.05081	1.7
249.06172	15.2
250.06711	0.7
267.07172	2.0
272.49393	0.7
291.10980	1.2
333.12039	2.7
351.12973	53.7
352.13278	4.1
372.30737	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1452
Annotation	Lambicin
Peak:m/z	Relative Intensity
57.03444	3.8
59.01362	3.2
62.16136	1.5
64.85222	1.6
71.05014	2.8
76.50331	1.7
79.01891	3.4
83.05037	2.3
85.06591	6.2
95.05037	3.5
96.96026	5.4
97.02988	1.6
97.06582	5.8
99.08174	4.4
101.06051	1.7
109.02943	3.1
109.06638	9.9
111.04525	6.8
121.06624	3.0
123.08129	7.5
125.06098	23.2
127.11276	4.7
133.10347	1.9
135.08138	2.6
137.02531	2.1
137.06038	1.8
137.09731	19.6
138.03223	4.6
139.04022	3.9
139.07663	2.0
149.06036	1.7
151.03981	2.8
151.11261	9.8
152.04749	3.3
153.09261	7.9
153.46756	1.6
155.10788	4.4
161.09723	2.2
164.08347	3.3
166.19540	1.6
177.09222	5.9
179.03543	4.9
179.07091	2.0
179.10817	14.3
179.14468	5.2
180.04312	16.9
181.08711	12.8
181.77718	1.4
183.06595	3.2
187.07748	1.7
193.12361	5.7
195.10301	24.5
205.08714	4.4
207.10275	1.6
207.13881	2.9
209.08240	4.6
221.08247	5.6
223.09770	51.2
223.13184	2.7
224.10094	3.4
235.09811	5.6
235.17055	25.6
236.10608	9.4
237.11183	4.2
245.15462	2.0
261.07651	1.6
261.14859	3.9
263.16492	8.2
264.10114	5.3
279.16055	80.3
280.16406	6.4
289.14493	22.4
290.14868	3.2
293.92102	1.6
307.15530	100.0
308.15808	6.9
315.12503	1.7
333.13446	3.4
351.10089	3.0
351.14505	56.7
351.18170	6.0
351.21893	2.8
352.14932	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	351.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71433	1.4
56.00751	1.3
59.01378	3.2
83.15639	1.4
83.81458	1.3
87.04543	2.3
95.05027	2.1
96.18269	1.3
98.21789	2.9
109.02966	1.5
111.04547	11.9
113.69940	1.3
123.04493	1.9
123.08174	4.0
135.08154	1.6
137.02420	1.9
150.03174	1.5
151.04039	5.7
151.07666	3.2
152.06764	1.5
154.02722	1.5
168.04211	3.0
170.12199	1.4
177.01927	8.8
177.09235	3.5
178.02727	5.4
179.07130	2.5
181.08835	1.6
182.02220	2.8
183.06653	6.0
189.05528	2.8
192.07918	4.2
193.08771	3.1
195.10252	5.1
201.11362	1.4
203.07115	3.0
204.00664	2.2
204.07948	3.4
205.01471	4.4
205.05128	6.5
205.08662	2.8
206.02202	2.2
207.06660	3.9
209.08211	6.4
219.06604	5.7
219.13939	1.7
220.07353	4.6
221.08203	41.5
222.08548	1.8
230.05775	3.2
232.07364	3.9
233.04512	3.7
235.09598	1.8
238.08521	14.8
239.09119	3.4
247.13394	4.3
248.06903	100.0
249.07608	30.1
252.06458	1.6
263.12888	4.7
275.12952	5.1
276.06476	9.3
277.07175	9.5
279.08765	2.4
289.69196	1.7
291.09064	4.4
291.12366	50.9
292.12747	6.5
301.10696	1.7
308.09042	21.5
309.09381	2.4
319.11896	44.0
320.12177	4.9
323.14920	8.6
333.13412	2.1
350.67346	1.7
351.14462	41.6
351.18256	14.0
352.14703	6.2
370.95560	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1814
Annotation	2-O-n-Butyrylpseudomajucin
Peak:m/z	Relative Intensity
56.69826	0.8
57.03445	1.3
58.33700	0.9
59.01366	2.4
74.35268	0.9
76.55695	0.8
79.01898	1.4
83.05042	1.1
85.02950	1.7
87.04507	1.3
90.47061	0.8
98.22549	1.8
99.08190	6.0
109.02929	1.6
109.06605	1.3
111.04542	2.4
113.02435	4.0
117.66566	1.0
122.03777	0.9
123.04540	1.9
124.01628	1.0
125.02457	6.6
125.06096	3.5
137.02371	0.9
137.09709	2.3
138.03212	1.8
150.03249	2.2
151.00374	3.0
151.03979	2.4
153.01955	4.6
154.02725	3.0
165.01932	1.5
165.09309	2.0
166.02687	3.1
167.03499	4.5
177.01929	3.0
177.05577	1.4
180.00615	2.7
181.05061	1.8
181.08725	1.7
181.12440	1.3
182.02228	15.2
191.07201	1.8
192.07863	1.4
193.08714	5.3
194.09210	1.3
195.03030	2.0
195.06650	3.1
195.10240	1.5
197.08253	7.8
205.05112	1.0
207.10242	2.8
209.08203	34.7
210.08638	1.8
219.06598	2.2
219.10068	1.1
221.08189	4.9
221.11955	1.1
223.06122	1.1
234.09013	5.1
235.09749	2.3
237.07704	10.2
238.08478	71.4
239.08929	5.1
248.06911	1.8
248.79771	1.1
251.09187	2.9
261.11346	1.5
277.14841	1.0
291.15909	1.7
317.17517	1.2
333.17047	6.6
334.17630	0.9
351.18118	100.0
352.18466	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	351.1816
Annotation	Tagitinin D
Peak:m/z	Relative Intensity
57.03447	0.7
58.30672	0.5
59.01400	2.5
69.03450	3.8
69.05463	1.0
69.05870	3.7
70.69364	0.5
71.01369	0.8
71.05025	39.9
72.07166	0.6
81.03471	0.6
83.05051	0.8
85.02955	0.6
87.04524	0.9
95.04987	0.9
96.96027	0.7
97.02953	21.4
98.03308	0.8
98.21815	1.2
111.00921	0.6
111.04517	4.1
113.02479	1.0
113.09783	0.9
115.04018	50.6
116.04325	0.9
123.00872	0.6
123.08187	0.8
125.02467	3.1
135.04581	0.8
139.07666	0.6
140.01146	0.7
142.19362	0.6
149.88750	0.5
158.87929	0.6
160.73073	0.5
167.10689	0.5
169.01405	3.9
179.07101	1.7
179.10835	0.6
181.08720	3.6
183.06639	2.2
195.06601	1.1
201.69376	0.5
207.10289	5.8
211.02496	1.3
221.08206	1.8
221.11803	3.7
221.15529	1.1
222.12302	0.6
235.13367	1.3
241.03519	2.7
247.09618	0.8
248.06990	0.6
249.11281	4.9
250.11694	0.8
263.12756	1.1
265.10907	0.7
276.11044	0.7
289.10995	0.8
307.11942	7.0
307.19147	23.7
308.19571	2.4
351.10919	5.2
351.18137	100.0
352.11624	4.3
352.18451	10.1
352.22458	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.6
66.36710	0.2
69.04606	1.2
69.05042	1.1
73.02950	100.0
74.03286	1.3
75.28050	0.3
96.96029	0.3
98.22574	0.4
101.12329	0.3
106.54818	0.3
111.55247	0.3
125.06039	0.4
137.06113	0.3
151.14534	0.3
160.26779	0.3
163.11317	0.7
165.09132	0.3
165.19421	0.2
176.04843	0.3
204.04303	0.4
207.10287	1.1
217.08641	0.4
219.06630	5.4
220.07111	0.6
221.08247	0.6
233.15457	1.3
234.08957	4.4
234.62654	0.3
235.09435	0.3
245.18990	0.5
248.06934	0.7
249.07619	0.4
249.15094	0.6
275.16699	0.9
277.14450	6.9
278.14914	0.5
291.12411	0.3
319.11942	0.4
328.44803	0.4
350.87387	0.3
351.14383	0.7
351.18118	5.8
351.25229	0.4
352.18716	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.0676
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41124	3.4
54.21882	3.1
61.98833	100.0
71.38515	4.5
104.55468	3.5
191.03529	4.7
205.05061	57.6
233.04570	76.5
353.08890	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	352.0677
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12735	3.8
59.01385	13.9
59.58755	3.4
61.98833	100.0
69.17187	24.7
71.01387	19.0
73.02921	4.9
85.02973	6.4
89.02453	6.4
92.47505	3.9
101.02467	14.2
113.02470	5.2
123.00864	4.5
124.01235	3.4
130.06633	11.9
131.03778	4.8
135.04596	6.3
142.06619	12.1
144.04546	19.9
144.08212	23.9
145.05360	9.6
145.06314	4.1
146.06133	96.3
158.02119	3.4
158.06151	8.3
160.07684	37.5
161.04642	9.0
163.04102	4.8
166.99870	4.9
168.00331	3.9
170.06119	15.0
172.04012	3.9
174.09259	5.9
182.02197	10.2
183.02559	8.0
186.05557	10.0
188.07220	33.9
191.03630	3.3
191.05626	14.6
197.04616	11.1
198.04926	17.4
205.05067	58.9
205.06799	5.7
206.08217	7.8
218.08258	11.8
232.06137	8.4
233.04552	77.6
256.64499	4.0
308.11441	10.0
352.10339	45.3
353.08847	45.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40444	4.0
50.70318	3.8
51.51936	3.3
51.78511	3.3
61.39752	4.1
61.98834	100.0
62.66607	4.4
70.44200	8.7
70.44534	5.8
96.19432	3.6
98.86464	3.8
109.02956	6.2
111.00872	7.3
125.02481	5.0
138.70148	3.7
153.01942	4.5
166.06357	4.2
169.40399	3.9
206.56282	4.0
216.66655	4.0
228.41399	4.4
247.20525	4.0
291.37555	4.0
293.82431	4.3
304.05176	4.3
317.03027	9.6
333.80658	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	352.1039
Annotation	OxIAA-Glc
Peak:m/z	Relative Intensity
51.84876	0.9
55.01872	1.2
59.01384	13.8
61.98820	1.4
69.18106	3.8
69.18507	2.2
70.43903	0.9
70.94570	0.9
71.01031	1.2
71.01388	12.7
73.02947	4.9
85.02963	4.7
89.02456	4.8
97.02977	1.1
98.21714	1.7
99.00871	1.4
101.02448	13.3
102.02784	1.0
113.02459	3.6
116.05083	2.8
118.06598	1.1
119.03525	2.4
128.05069	2.4
130.06648	9.0
131.03767	3.5
142.06622	10.8
144.04565	18.7
144.08195	18.2
145.05362	9.4
146.06136	100.0
147.06508	3.2
156.08186	2.9
158.06143	6.6
160.07687	26.7
161.04613	6.1
161.07909	1.6
164.07201	1.3
168.04553	1.0
170.06136	11.0
172.04025	1.7
172.07703	1.4
174.09259	5.0
186.05627	11.0
188.07191	34.4
189.07576	1.6
190.05106	3.4
191.05620	7.1
198.09288	1.4
206.06467	1.1
206.08136	5.2
218.08192	8.9
230.08177	1.5
232.06155	6.7
290.10233	1.6
308.11475	6.3
312.23477	1.0
319.64792	1.2
352.10403	36.1
353.10681	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	352.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97281	1.0
59.01137	1.1
59.01385	15.2
61.98827	8.6
70.54232	3.0
71.01389	13.4
72.90678	1.1
73.02931	4.8
83.01389	1.8
85.02969	7.8
85.15411	1.1
87.00870	1.8
89.02442	4.6
93.03476	1.8
93.20683	1.1
99.00906	1.3
101.02451	14.2
113.02478	4.7
116.05070	3.0
128.05081	2.1
130.06639	10.9
131.03761	2.2
142.06641	12.3
144.04567	22.3
144.08194	16.9
145.05374	8.5
145.08508	1.1
146.06133	100.0
147.06439	4.2
156.08170	3.3
158.03029	1.1
158.06163	6.9
159.06429	1.1
160.06416	1.7
160.07697	27.6
161.04587	4.7
161.07935	1.2
164.07184	1.3
170.06107	10.0
172.04008	1.1
174.05609	1.5
174.09253	4.4
186.05649	8.7
188.07188	32.7
189.07454	2.3
190.05083	3.7
191.05623	49.5
191.07359	2.4
206.08247	4.0
218.08275	8.6
228.10439	1.5
232.06161	6.2
254.08203	1.4
292.66238	1.2
308.11398	4.7
352.10376	37.2
353.10544	2.8
367.00366	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1192
Annotation	Isochelidonine
Peak:m/z	Relative Intensity
56.74898	7.9
66.92387	6.0
69.60729	28.8
79.01900	34.9
105.03477	9.9
111.04532	47.8
116.80013	6.5
131.38318	6.1
131.39388	6.4
132.25818	8.1
135.04503	6.3
136.01671	16.5
138.03239	15.1
142.02994	9.4
142.58488	7.1
153.05644	7.3
153.09184	9.7
157.05341	22.1
164.01184	37.2
172.07681	14.6
176.07178	7.4
179.03467	40.7
180.07178	6.6
183.03320	10.8
207.91010	6.4
241.14375	9.0
267.06665	7.1
267.12350	20.5
281.04584	25.0
282.05295	15.6
295.06107	8.3
311.09232	100.0
312.09824	7.5
320.09381	8.2
334.10837	14.9
352.11896	78.8
352.18283	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	353.088
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60167	0.5
56.90736	0.5
59.01390	0.8
59.65481	0.5
69.76208	1.0
69.76603	1.2
77.03951	1.7
78.07653	0.6
79.01886	0.9
81.03452	2.0
83.01382	2.5
91.91140	0.5
95.05017	1.4
105.03448	0.9
117.07118	0.6
119.05073	3.2
121.02927	1.5
133.06628	1.5
135.04503	2.1
137.06126	0.6
145.02982	0.6
146.03748	0.6
148.01649	0.7
149.02451	2.4
159.04561	1.0
161.02434	2.3
161.06079	4.0
163.03992	5.8
173.04625	0.7
175.04150	0.7
179.03481	0.8
189.05524	0.9
190.02646	1.2
191.03497	4.7
191.05452	1.3
203.03511	1.7
204.04187	0.6
205.05061	88.3
205.64828	0.7
206.05467	5.2
215.03488	3.5
231.03009	1.7
233.04552	100.0
234.04903	6.7
236.03229	0.9
245.04460	3.4
248.76410	0.7
263.05606	3.1
353.08795	48.0
354.08987	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	353.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34714	0.6
51.38767	0.7
53.51372	0.7
61.98811	3.0
65.86740	0.8
67.68932	0.6
71.01362	0.6
73.74699	0.6
74.49442	0.6
77.03957	2.5
79.01891	1.9
81.03447	2.0
81.55711	0.7
83.01377	2.9
85.02969	0.8
93.03462	1.2
95.05003	1.5
95.18941	0.6
98.21787	2.8
113.42714	0.7
119.05022	2.8
121.02951	2.3
125.02426	0.7
130.39349	0.7
132.72720	0.6
133.06609	1.4
135.04521	4.2
135.36278	0.6
137.06061	1.2
140.01479	0.7
140.23238	0.6
146.03716	1.4
148.01837	0.7
149.02429	2.0
161.02458	1.7
161.06131	4.3
162.03192	1.1
163.04013	7.4
173.04533	2.5
179.03477	2.5
190.02687	1.8
191.03563	4.1
191.05602	2.9
203.03633	1.5
205.05069	80.8
206.05362	4.3
215.03609	3.5
217.05164	1.1
231.03079	1.0
233.04561	100.0
234.04904	6.7
245.04436	3.2
263.05573	3.1
295.04834	0.7
342.35101	0.7
353.08823	50.0
354.09247	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.1
65.00349	0.7
69.43020	3.1
69.43407	1.1
71.01392	0.8
74.47414	0.5
74.95612	0.5
77.03957	1.5
77.46868	0.5
79.01879	1.6
81.03458	2.7
83.01386	1.8
95.01409	0.7
105.03469	1.1
119.05043	4.7
121.02950	0.8
133.06573	1.0
135.04504	1.8
146.03705	1.3
147.04521	0.6
149.02502	0.9
149.32478	0.6
159.04572	0.7
161.06090	8.1
163.04007	1.9
175.04042	0.6
177.05568	1.1
189.05608	0.9
191.03494	4.7
191.05254	0.9
201.05620	0.7
203.03525	7.1
204.04201	2.4
205.05060	67.0
206.05441	2.6
215.03461	2.0
217.05063	6.8
228.04068	0.6
230.02075	0.9
231.02911	1.3
233.04549	100.0
234.04919	6.2
236.03224	2.6
245.04532	11.3
247.05994	0.7
259.50800	0.6
261.04089	0.7
263.05612	22.8
264.05826	1.1
275.05609	1.6
326.12848	0.6
353.08786	45.1
354.09241	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	353.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.5
59.66831	0.4
61.98816	0.5
62.43116	0.5
69.03441	0.5
69.12018	1.4
69.12425	1.5
71.01374	1.2
73.02950	0.6
81.03513	0.5
85.02957	9.0
87.00874	1.9
93.03481	2.8
95.12989	0.4
97.02935	0.5
99.04534	0.6
101.02484	0.6
105.91623	0.4
109.02979	0.8
111.04531	0.9
113.02474	0.6
127.04018	2.1
133.02962	1.1
135.04517	1.8
144.08167	0.6
145.05032	0.5
145.08531	0.9
146.06108	2.7
147.06476	3.0
160.07637	0.5
161.02457	1.4
161.08028	1.2
171.03041	0.7
171.06471	0.6
173.04543	1.6
179.03528	1.2
188.07214	0.6
189.07515	1.6
191.05623	100.0
192.05998	3.5
199.54597	0.4
309.11694	0.5
353.11078	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05244	4.0
57.03489	4.4
59.01379	44.2
67.01889	6.2
67.72849	3.7
69.22208	22.2
69.22604	9.1
71.01386	42.5
71.24522	3.5
72.42278	3.7
72.99322	4.8
73.02942	22.4
74.58301	4.4
79.16362	3.8
83.05035	7.9
84.97514	4.2
85.02961	17.4
87.00898	15.0
89.02449	33.5
93.03461	56.8
99.00895	9.7
99.04545	7.3
101.02473	11.8
111.00892	98.1
111.04526	29.3
113.02456	15.5
115.02088	5.3
119.03554	4.9
129.01942	4.8
129.05655	4.7
135.04485	4.3
137.02449	10.9
143.03494	8.1
147.04561	4.7
155.03500	10.6
156.67517	3.8
173.01042	8.2
173.04539	100.0
177.05640	7.6
179.05646	4.7
191.03716	7.3
191.05614	14.3
192.92395	3.8
263.05875	5.2
353.10605	54.5
353.15097	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	353.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47313	0.4
59.01373	0.7
77.31534	0.5
79.13832	0.5
79.95755	1.2
80.02692	0.8
81.03480	0.9
83.05038	8.5
83.85123	0.4
96.96017	35.1
125.02459	0.7
160.90395	0.5
169.01453	0.6
181.16028	1.4
183.17517	0.9
191.14482	0.6
207.13977	1.2
209.15469	20.7
210.15877	1.4
211.17050	45.6
212.17448	2.8
229.18091	24.7
230.18378	1.0
255.16054	3.3
265.98148	0.5
273.17096	75.3
274.17429	4.5
291.40161	0.6
353.12769	100.0
354.13126	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	353.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71557	0.8
57.03449	0.9
59.01381	2.0
71.01375	2.1
71.28043	0.9
71.28423	1.3
76.07785	0.8
83.05002	1.1
84.52877	0.8
85.02954	1.0
85.06593	1.0
87.04516	1.3
95.05000	1.2
97.06592	1.8
107.01439	1.0
109.06608	2.2
111.00886	2.3
111.04530	5.4
113.02391	0.8
113.06093	1.4
114.94910	0.9
124.01677	1.2
124.52524	0.8
125.02459	2.1
125.06084	1.7
125.09755	0.9
129.09164	0.8
135.04552	2.7
141.01816	0.8
151.00346	1.4
153.01952	2.8
153.05551	2.5
155.07127	1.1
169.01431	3.1
177.05582	0.9
178.99817	1.7
179.10796	1.6
181.05154	1.6
182.02286	1.3
183.06659	5.9
183.08038	1.0
194.05884	3.6
195.06625	10.7
196.07050	1.1
197.04559	26.3
198.05008	0.8
198.23199	0.7
199.08681	0.8
205.05084	2.2
207.03038	2.7
211.06100	3.4
222.05287	4.6
223.06114	65.2
224.06448	4.5
225.04050	2.3
239.05588	4.4
240.06400	100.0
241.06805	7.0
249.15009	1.7
254.35080	0.9
264.09494	0.9
291.16010	1.5
353.16019	11.0
353.19778	1.6
353.23566	1.2
354.16339	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.212
Annotation	Guayulin B
Peak:m/z	Relative Intensity
51.08618	0.3
64.60700	0.3
72.55113	0.3
73.35229	0.3
90.67169	0.3
96.96005	0.5
118.96277	0.3
144.27333	0.3
147.08203	0.5
161.06142	0.3
163.11293	93.2
164.11624	5.4
177.09215	73.3
178.09557	4.8
194.05844	0.4
200.62991	0.3
209.08223	3.3
219.51312	0.3
222.09000	0.7
353.21219	100.0
354.21545	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	354.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02988	0.6
58.74915	0.4
59.01394	0.5
71.29635	0.5
76.28880	0.3
81.03496	0.7
83.05035	0.9
90.45605	0.4
95.05039	0.6
95.15247	0.4
104.43269	0.4
118.25081	0.4
119.33131	0.4
124.46813	0.3
125.02490	0.5
128.10802	2.1
130.08752	100.0
131.09135	2.0
151.11281	0.7
169.01486	0.8
179.10828	1.6
182.87929	0.4
248.20337	2.0
274.17920	0.5
292.19229	3.0
308.39795	0.4
310.20242	16.5
311.01840	0.4
311.20496	1.1
336.18231	3.1
337.18613	0.5
339.08469	0.5
354.19250	25.4
355.11719	0.5
355.19553	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	355.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
61.74926	1.0
62.51419	1.6
69.82130	2.6
69.82526	2.6
79.01870	1.3
89.39857	1.2
90.83807	1.0
103.76988	1.0
105.03469	9.2
111.04535	2.9
117.03477	7.9
125.09698	2.6
151.07693	2.0
161.02426	5.6
163.00392	2.9
164.01135	1.8
174.35695	1.0
175.03967	1.4
179.03491	4.3
181.06598	1.7
187.42519	1.1
209.06062	14.2
237.09300	1.9
253.05086	33.7
254.05458	3.5
267.06656	14.6
268.07343	16.2
280.03857	4.6
281.04559	22.7
281.08121	6.7
282.04788	2.2
282.08777	1.3
283.09714	3.2
295.06137	16.3
295.09412	1.8
296.06903	20.7
297.07120	2.8
311.09290	100.0
312.09653	8.4
355.08218	1.4
355.11935	1.4
355.15811	1.5
355.21100	1.9
355.25323	2.3
377.16516	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0826
Annotation	7,8,2'-Trimethoxy-4',5'-methylenedioxyisoflavone
Peak:m/z	Relative Intensity
59.01370	0.4
69.36317	1.5
81.03459	0.5
83.01392	5.8
83.05024	0.6
84.38140	0.3
93.03471	0.8
107.05037	1.0
108.02191	0.4
117.03478	0.6
119.05050	0.5
121.03003	0.3
123.08178	0.3
125.09735	0.5
133.02986	0.8
134.03743	1.2
135.04526	2.5
137.06047	0.8
145.02977	1.0
148.05324	7.5
149.06009	0.6
155.07144	0.9
155.10785	0.4
159.04547	0.8
161.02505	1.3
161.06062	0.8
162.01947	0.5
162.03235	6.4
162.05418	0.3
163.04024	3.3
173.11780	1.8
175.03951	0.8
176.04788	9.2
177.05534	2.3
179.03487	0.3
187.04021	1.9
199.13342	1.3
203.03537	4.1
204.04277	28.2
205.05060	100.0
206.05418	5.4
213.11292	0.3
231.02858	0.6
295.06067	0.3
296.06866	1.2
311.09222	0.8
344.98444	0.3
355.08237	28.7
355.17624	1.8
355.24768	2.4
356.08676	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56345	1.7
59.01405	2.6
68.19497	1.6
69.02817	3.6
69.03218	11.1
72.99308	1.9
73.02950	5.0
75.00880	4.0
83.01389	4.7
85.02944	7.8
87.00873	3.7
101.02404	1.7
113.99545	2.9
115.00384	8.6
116.61226	1.6
119.42416	1.7
133.04118	1.6
134.03754	4.1
148.05307	1.8
163.04016	2.3
174.01707	79.9
175.02402	6.8
175.03851	1.7
179.07153	4.9
182.18257	1.6
193.01468	2.7
193.05005	3.6
206.33325	1.8
209.08134	3.7
217.05254	1.8
237.07727	4.1
265.07120	11.2
295.08255	14.4
355.10345	100.0
356.10629	8.0
376.24527	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
57.53862	0.6
59.01385	0.9
63.83350	0.5
71.01389	1.0
71.76709	0.5
93.03484	0.6
106.04209	0.7
121.01001	0.6
121.02945	2.1
123.04533	0.6
125.02438	2.4
133.02953	2.2
134.03749	67.8
135.04050	2.6
137.02449	10.8
139.04010	3.0
149.02434	0.9
149.06090	17.1
150.03226	0.9
150.06374	0.6
160.01692	0.9
161.06114	0.6
165.01938	0.8
175.04034	1.0
177.01926	0.7
178.02724	35.5
179.03046	1.4
191.03586	0.9
191.05539	0.7
193.05058	100.0
194.05347	3.7
197.04501	0.9
217.05127	0.9
237.25194	0.5
243.02975	0.8
306.04782	0.5
355.10321	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.4
61.40566	0.4
64.25871	0.4
69.26118	2.6
69.26516	1.1
70.64453	0.4
71.01386	1.8
73.02945	0.6
79.05521	2.6
83.01369	0.5
87.00886	0.7
89.25578	0.5
95.05022	6.4
99.00909	0.7
100.62458	0.5
105.03458	3.4
113.09760	3.4
115.00390	0.6
121.02975	1.2
122.03780	2.4
123.04533	21.9
124.04886	0.6
135.04547	0.8
137.09744	0.8
138.28354	0.6
142.99837	2.6
145.01466	1.4
149.02481	5.5
149.06087	0.5
149.09723	5.6
150.03160	0.8
150.06873	2.6
151.07664	7.8
153.05721	0.7
163.03966	0.7
165.09207	1.8
173.00938	1.0
178.02986	0.6
178.06387	13.2
179.06824	0.6
180.07861	0.6
181.08716	17.0
182.09047	1.4
183.10283	1.2
191.03516	8.5
191.07048	0.8
192.07835	0.6
193.08705	100.0
194.09026	5.7
205.05133	0.9
205.08760	0.6
206.03882	1.0
206.05850	17.4
207.06190	1.2
209.08174	1.6
217.08673	1.6
219.06606	0.8
221.08192	4.8
221.11664	0.9
222.08534	0.6
223.09702	1.1
234.05331	4.4
235.09753	1.8
249.07698	1.0
249.11307	0.7
251.09329	2.3
263.08942	0.6
277.07211	1.6
293.10361	0.7
295.08182	2.0
311.11356	1.6
327.10938	0.7
349.75000	0.5
355.10345	35.1
356.10699	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
58.48140	0.9
59.01382	2.0
64.56461	0.8
71.01380	3.5
71.05047	1.0
72.99323	1.5
79.01887	5.6
87.00871	2.6
95.05035	1.2
97.02993	1.0
99.00880	1.7
101.10973	0.9
105.01951	10.6
105.18752	0.9
109.06584	2.0
111.04525	16.4
115.00365	2.5
123.04520	1.7
123.08168	2.6
135.04539	3.2
139.03966	5.1
145.01457	7.6
147.08173	8.0
149.06032	2.5
151.04007	6.4
153.05579	1.0
159.04526	0.8
163.07712	1.4
165.01955	1.5
165.09224	11.9
167.03525	1.0
167.07132	1.7
173.06116	1.3
176.04793	1.0
177.01915	1.7
177.09212	1.8
191.07124	6.6
193.01451	1.6
193.08693	2.5
203.07182	3.9
205.01442	1.5
205.08749	1.4
209.08200	42.2
210.08553	2.8
219.02966	1.3
219.06674	3.2
220.03740	7.8
221.08208	25.9
222.08469	1.4
228.77963	0.9
231.06650	1.5
235.06120	100.0
236.06442	7.3
237.07675	31.3
238.08171	2.2
247.06061	1.8
248.06931	2.8
249.07690	37.7
249.10278	1.9
250.08029	1.5
253.07298	4.4
254.07262	1.0
261.07681	1.3
263.05603	2.0
263.09290	1.5
265.07187	24.5
265.17999	1.7
266.07916	1.9
267.08749	17.4
268.09149	1.1
277.07257	3.0
278.42041	0.9
279.08850	1.4
281.04825	1.3
281.08099	1.7
295.08273	4.8
296.06836	4.3
307.08206	7.1
309.09821	1.5
312.06662	1.1
319.08356	1.2
337.09335	2.1
355.10553	22.6
355.24960	5.1
356.10641	1.6
365.45609	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57309	2.6
59.01382	27.8
69.55658	11.3
71.01390	19.8
74.99092	19.4
83.01392	3.6
85.02945	4.3
89.02448	12.4
94.28088	2.3
96.96040	4.5
98.22665	3.1
101.02435	6.6
108.01450	2.5
109.02934	4.1
113.02490	7.0
123.04552	3.3
125.02413	6.3
132.02208	9.5
133.02933	4.1
134.03758	80.8
135.04559	4.8
135.98347	4.4
136.99170	16.9
137.02443	3.4
137.06061	5.9
147.04521	8.1
148.05371	6.6
149.06099	22.2
151.04045	4.9
153.01895	3.2
160.01677	56.6
161.02367	3.2
175.04005	65.0
176.04762	28.3
177.01950	4.9
177.05466	3.0
178.02745	11.3
186.61734	2.8
191.07144	32.7
193.05063	100.0
194.05342	4.9
202.00951	2.8
207.06517	6.4
217.05060	7.7
235.06136	66.7
235.09634	23.6
236.06409	6.0
265.07120	33.4
265.11127	2.6
295.08270	84.0
296.08612	6.7
325.32825	3.3
325.72470	2.6
355.10315	5.4
356.15369	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	355.1189
Annotation	Vitedoin A
Peak:m/z	Relative Intensity
67.47398	0.5
69.32040	2.4
98.21800	1.0
109.04816	0.5
112.19559	0.5
113.58699	0.5
122.57498	0.5
125.09758	0.8
158.50255	0.5
162.03291	0.9
195.04562	0.5
208.05370	0.9
223.07642	0.8
224.04756	3.1
225.05528	1.2
225.09288	1.1
237.05522	0.7
238.06404	2.1
239.07114	2.1
241.08812	1.8
253.05231	0.6
253.08720	1.4
266.05896	1.5
267.06451	1.5
268.07419	0.7
269.08206	45.2
270.08560	3.9
280.03778	1.5
281.04993	0.8
281.08231	4.1
284.10526	3.7
295.05994	0.9
296.06906	2.1
297.07684	39.5
298.07986	5.4
312.10065	7.7
313.10291	0.9
325.07175	30.1
326.07642	3.8
340.09521	100.0
341.09845	10.1
355.11877	90.1
355.21060	0.9
356.08154	1.0
356.12274	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	355.119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77771	1.7
81.03419	1.7
93.03457	1.8
95.66080	1.6
108.02180	100.0
109.02998	13.2
111.08147	2.0
119.20306	1.6
121.02963	2.1
123.00913	5.7
123.04534	80.5
123.70272	1.8
124.04865	3.4
145.06606	18.7
149.02498	1.7
159.04524	4.4
161.05994	2.9
171.04536	2.2
172.05339	8.0
173.06091	11.5
174.03169	2.0
174.06856	4.4
175.04036	6.2
183.80412	2.1
187.04042	4.9
188.04730	11.6
189.05579	23.7
215.03519	2.3
216.04279	29.0
217.05051	32.1
218.05559	2.8
231.06635	73.1
232.07237	8.7
237.05618	2.7
238.06306	12.5
253.04964	1.7
253.08701	3.9
258.05414	2.7
263.06863	2.1
265.04984	2.5
266.05832	14.9
267.06470	4.2
268.53696	1.9
279.06470	2.2
280.07449	7.4
281.08109	23.3
282.05499	2.1
282.08585	2.7
295.06305	3.6
295.09766	3.0
296.03314	7.1
296.07092	2.5
296.10480	11.5
297.03589	2.4
297.07513	2.2
310.04865	1.8
311.09311	2.7
311.12753	2.4
311.51755	1.8
325.07275	7.5
325.10635	2.3
339.08893	4.2
340.06015	3.3
340.09497	12.5
355.08197	8.3
355.11926	61.5
356.08279	2.1
356.12399	6.7
358.02664	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	355.14
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37495	0.5
56.69096	0.5
57.74609	0.5
68.99799	0.5
69.10371	3.2
71.01388	0.7
75.23817	0.5
79.05538	3.5
81.03461	9.1
87.04524	10.4
98.22557	1.0
117.70311	0.5
123.04533	100.0
124.04882	4.8
125.09721	7.3
134.03766	1.2
147.04536	3.1
149.06113	0.8
149.09731	5.7
151.07634	0.8
175.04041	0.8
189.05585	1.0
193.05003	1.8
193.08710	60.5
194.09055	3.3
217.08713	1.8
235.06126	0.7
328.41791	0.5
343.57651	0.6
355.10355	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1401
Annotation	Grevilloside A
Peak:m/z	Relative Intensity
53.40051	0.2
59.01403	0.7
67.16847	0.3
71.01377	1.0
73.02952	0.7
79.05535	2.1
81.03446	0.4
87.04508	0.5
93.03459	0.3
95.05038	2.8
105.01933	0.4
105.03472	3.4
109.89454	0.2
113.09766	1.7
115.00359	0.2
121.02955	1.0
122.03747	2.4
123.04539	19.3
124.04874	0.7
135.04428	0.3
136.92049	0.3
137.06140	0.5
142.99876	1.3
145.01460	0.8
149.02461	5.8
149.06007	0.3
149.09738	4.7
150.03171	0.8
150.06889	1.2
151.04056	0.3
151.07674	4.5
152.07959	0.3
153.05609	0.5
163.03998	0.5
165.01929	0.5
165.09198	0.6
167.03575	0.4
173.00894	0.3
177.05484	0.3
178.06363	6.2
181.08722	9.4
182.09058	0.5
183.10298	0.8
191.03519	4.6
191.07191	0.7
192.07903	0.4
193.08710	100.0
194.09053	5.8
205.05104	0.4
205.08653	0.5
206.05858	8.8
207.06247	0.7
207.10277	0.4
209.08197	1.0
217.08665	1.2
219.06676	0.7
219.10130	0.4
221.08234	2.8
221.11789	0.7
223.09727	0.7
234.05338	2.5
235.09808	1.4
247.10025	0.3
248.06874	0.4
249.07767	0.6
249.11316	0.6
251.09258	1.1
263.09158	0.3
277.07297	1.2
281.10324	0.3
295.08240	1.2
311.11426	0.6
327.10742	0.4
329.71982	0.2
355.10355	21.1
355.13684	0.9
356.10684	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	355.14
Annotation	Grevilloside A
Peak:m/z	Relative Intensity
59.01374	2.0
71.01383	0.6
71.29205	0.7
72.65289	0.5
83.70290	0.5
85.02984	0.5
87.97807	0.5
89.55632	0.5
91.01894	0.7
91.05542	0.5
99.49059	0.5
101.91086	0.5
107.08687	6.1
109.06610	1.5
133.06613	1.1
149.09727	8.0
150.09950	0.7
151.07664	21.1
152.07954	1.2
177.05487	1.2
178.56799	0.6
193.08707	100.0
194.09039	6.3
197.04619	0.7
257.74786	0.4
271.09686	0.6
355.17694	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1584
Annotation	Unknow
Peak:m/z	Relative Intensity
65.86752	0.8
69.39514	2.5
69.39919	3.5
73.74570	0.8
76.13053	0.9
79.14813	0.8
79.80065	0.7
84.93855	1.0
98.22463	2.0
98.95633	1.1
99.92591	55.9
100.43394	0.9
100.92592	2.4
100.93329	1.1
102.00063	0.9
115.92087	33.1
116.92866	100.0
117.92903	4.7
117.93622	1.2
175.70502	0.9
187.32791	0.8
192.74704	1.0
197.31554	1.1
199.11157	1.0
205.40895	0.9
242.22144	0.9
311.16849	1.4
343.15726	2.3
355.15823	59.6
355.32211	12.2
356.15839	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	355.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	7.1
59.50897	0.6
69.03452	2.0
71.05016	1.6
80.02680	0.7
80.23042	0.6
81.03513	0.5
83.05049	2.9
93.03505	0.6
95.05047	2.6
97.06596	16.7
98.06946	0.6
108.02169	0.7
109.06617	0.8
111.08170	7.7
113.06142	0.8
113.13945	0.5
123.08171	13.4
125.09736	100.0
126.10075	3.6
131.07167	2.0
134.03737	0.6
135.04535	1.3
137.66203	0.6
139.07663	0.7
141.09212	0.8
143.10780	1.2
159.10312	1.4
162.03235	1.4
167.07130	2.2
169.08667	3.0
173.11757	0.9
177.05554	2.1
177.06982	0.5
177.17471	0.5
179.10806	0.9
183.10329	0.9
187.09779	25.9
188.10103	1.0
197.11862	19.2
198.12314	0.6
213.11307	0.8
223.09659	0.6
241.10724	0.6
281.08167	2.1
293.17435	0.5
296.10571	1.3
311.12793	2.1
311.18680	11.7
311.22095	0.4
312.18979	1.6
337.16534	1.5
340.09518	1.2
355.08209	1.2
355.12244	2.7
355.17630	48.2
355.25052	1.8
356.13565	0.7
356.17853	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	10.4
59.01371	1.7
69.03454	3.0
69.40000	2.0
69.40406	4.8
71.01362	1.2
72.52235	1.0
81.03461	8.6
83.05031	24.2
88.97574	1.1
93.03482	1.3
95.05042	4.3
97.06588	16.6
97.07157	1.7
109.02959	1.8
109.06583	3.4
111.08165	9.9
119.05054	1.4
121.02963	1.3
123.04546	1.2
123.08151	14.7
125.09733	100.0
126.10078	3.8
127.11265	2.0
134.94707	1.0
137.06097	18.8
153.57013	1.2
155.07155	27.0
155.10773	1.2
156.07526	1.9
159.10306	2.3
169.08743	5.9
173.11836	40.5
174.12172	1.4
179.03493	1.5
181.05096	1.7
185.08195	1.6
187.09773	16.4
197.11861	3.0
211.13216	1.4
211.16602	1.2
238.02985	2.0
253.05074	1.6
281.04437	1.6
282.05334	2.7
293.17700	1.8
294.05566	1.4
296.06921	2.5
303.54553	1.2
307.84607	1.3
311.09277	2.9
311.18658	15.6
312.19028	1.4
325.07178	1.6
337.16653	2.3
338.17075	1.5
340.05801	3.8
340.09473	2.2
355.08322	11.2
355.17633	95.7
355.25034	4.6
356.08514	1.5
356.17862	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	355.213
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72207	2.0
61.98797	2.2
70.58412	1.9
77.59171	1.7
83.22619	1.9
97.06635	4.2
123.08144	3.7
124.57072	2.0
125.09724	23.9
137.09743	7.5
139.11324	3.3
145.03001	1.9
154.63539	2.1
155.10789	100.0
156.11157	3.7
159.10295	3.1
167.24425	1.9
169.12311	10.5
171.10413	3.2
173.11838	58.3
174.12096	2.4
183.12038	1.9
231.06667	5.6
275.12909	46.1
276.13251	5.6
290.27414	2.4
293.21207	18.5
311.22260	20.0
312.22662	2.9
355.08585	2.9
355.21411	40.9
356.21603	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	355.2279
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
52.12037	1.0
53.67350	1.0
59.01371	2.4
69.05478	2.2
69.05875	8.5
85.02972	2.4
89.75353	1.2
89.99995	1.0
94.05322	1.0
98.01700	1.1
101.06068	1.2
107.04998	1.7
109.02959	2.4
122.03750	9.5
127.07693	1.9
135.04533	25.9
136.01672	3.2
136.04846	2.1
139.11255	1.1
147.08134	2.3
148.05367	1.3
149.06053	2.1
149.09717	9.1
151.07596	3.1
152.19156	1.1
154.02730	2.9
155.10707	1.4
161.09729	6.9
163.07642	3.4
163.11296	50.0
164.08455	13.3
164.11583	2.6
165.09203	8.5
176.16086	1.1
177.09218	63.1
178.09976	20.2
179.10782	80.7
180.11122	5.1
183.10269	1.8
187.11276	2.0
191.10794	13.5
193.08733	10.8
230.86571	1.2
244.07053	1.1
265.12146	1.5
280.14722	2.6
298.15775	51.2
299.16086	5.2
307.17050	1.9
321.18582	1.8
337.10843	1.4
337.21759	42.6
338.22369	5.1
340.20447	80.3
341.20685	7.9
355.11917	5.9
355.22794	100.0
356.23199	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	355.2857
Annotation	2-Oleoylglycerol
Peak:m/z	Relative Intensity
54.91789	0.5
56.01545	0.6
56.97795	0.6
57.03435	0.7
68.97491	4.8
72.55947	0.6
73.92339	0.5
80.51739	0.7
91.17769	0.7
98.22552	1.2
120.58909	0.7
130.35643	0.6
153.49771	0.5
154.46780	0.7
170.34924	0.6
192.12363	0.6
291.27002	1.4
293.28519	65.9
294.28815	7.3
308.18137	0.7
311.29636	1.9
337.27493	21.2
338.27814	2.3
355.11871	4.5
355.19208	2.8
355.28546	100.0
356.28864	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	355.3219
Annotation	2-Hydroxydocosanoic acid
Peak:m/z	Relative Intensity
55.01894	0.9
60.20683	0.5
60.58050	0.5
91.55350	0.6
123.59678	0.6
124.50084	0.6
268.66196	0.5
281.28397	1.0
305.28445	0.8
307.30045	3.0
309.31659	55.6
310.31979	7.2
337.31161	1.1
355.32187	100.0
356.32544	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	355.322
Annotation	13-Hydroxydocosanoic acid
Peak:m/z	Relative Intensity
56.60483	0.7
59.08488	0.7
60.84863	0.6
131.74525	0.7
154.67685	0.7
163.58809	0.9
203.44818	0.7
228.83327	0.8
241.05029	1.8
242.05783	1.4
256.07489	2.9
261.51215	0.9
269.04321	0.7
270.05228	1.9
284.06863	1.2
285.07657	3.0
293.08392	0.9
297.04044	2.4
298.04700	1.0
311.05804	0.9
311.09247	1.3
312.10016	2.0
317.32858	0.8
322.08124	1.1
337.10895	3.8
339.08658	1.0
340.09460	1.6
353.30734	0.9
355.11896	49.5
355.32181	100.0
356.12122	11.1
356.32562	13.7
378.12103	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.3222
Annotation	13-Hydroxydocosanoic acid
Peak:m/z	Relative Intensity
50.59295	0.4
71.19276	0.8
101.66499	0.4
241.81955	0.5
243.98940	0.4
250.64632	0.3
307.29904	0.5
309.31656	3.9
310.31970	0.5
324.44778	0.5
337.31195	0.7
347.07275	0.4
352.30859	0.4
353.30838	0.7
355.32187	100.0
356.32516	12.8
356.36072	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	355.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46043	1.2
59.92216	1.1
71.13706	1.0
73.31173	1.0
95.78191	1.2
108.31744	1.1
114.05660	1.1
152.06664	1.1
162.19360	1.0
169.67017	1.0
194.08206	1.2
309.31693	3.2
353.30539	1.7
355.32202	100.0
356.18585	1.6
356.32590	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	356.1142
Annotation	Toddaliopsin B
Peak:m/z	Relative Intensity
54.38115	0.6
62.06486	0.6
64.01896	0.6
65.99851	3.8
66.03467	0.7
71.28491	0.7
82.54367	0.6
85.94498	0.6
86.93218	0.7
90.03487	0.9
93.03453	0.9
103.81109	0.6
104.05050	1.1
108.02184	3.5
109.02962	4.2
116.05041	0.8
118.02976	1.7
121.02952	1.6
121.19142	0.7
123.00876	1.9
123.04485	0.6
124.01620	1.3
125.09690	0.7
130.06607	2.4
131.03781	1.0
132.04541	2.4
134.02481	2.2
134.03731	3.0
135.04503	2.6
136.01663	3.6
137.02455	51.4
138.02827	1.9
144.04495	0.7
147.03230	1.7
147.04376	0.9
148.04066	1.7
150.03250	0.7
151.04022	6.1
157.05377	0.9
158.06117	6.7
160.04041	4.5
161.04790	2.9
162.03270	0.7
163.03993	2.1
172.04045	0.9
173.11806	2.0
174.05659	1.7
175.04027	1.8
175.18279	0.7
176.03529	2.2
178.97688	0.7
186.05591	10.5
187.06422	3.6
188.03545	2.0
188.06975	0.6
188.21460	0.6
189.04254	1.5
190.06374	11.2
191.06720	1.2
193.05168	0.8
199.13417	1.7
200.13734	1.3
202.05109	1.2
202.66737	0.7
204.03033	4.9
204.06691	0.6
207.06474	0.7
214.05074	0.8
240.04210	0.7
252.06755	1.5
253.05084	0.9
254.04630	1.3
255.06621	0.9
269.06870	1.3
279.06479	0.7
280.06161	1.3
281.07327	0.6
282.04239	0.9
283.09641	0.9
296.06912	3.1
297.06720	1.1
308.05676	0.9
309.06415	1.0
311.09280	4.7
312.09332	1.0
324.08804	0.9
326.11453	3.0
329.10474	0.8
353.90024	0.6
356.11435	100.0
356.25339	1.5
357.11755	10.1
357.22723	1.4
357.27240	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82816	0.6
59.01383	0.7
64.42798	0.6
65.99862	4.2
76.25468	0.7
90.03539	0.7
90.43391	0.6
93.03450	1.4
98.21793	1.3
108.02199	1.6
109.02981	4.1
116.05096	1.3
118.03000	1.1
121.02973	2.5
123.00907	1.4
124.01673	1.0
125.09754	1.1
130.06602	1.4
131.03769	0.8
132.04573	3.5
134.02480	2.0
134.03738	1.6
135.04509	2.0
135.92755	0.7
136.01660	3.6
137.02461	43.9
138.02773	0.8
144.04660	1.1
146.02444	0.7
147.03275	2.2
147.04442	1.4
148.04080	1.6
149.02487	0.8
149.06129	0.7
151.04008	6.5
158.06142	4.9
158.07285	0.9
159.04494	0.7
160.04007	4.8
161.04793	2.3
163.04100	1.6
165.05582	1.1
173.06108	0.7
173.11871	1.8
174.05615	1.2
175.04031	1.2
175.72269	0.7
176.03537	2.6
179.03444	0.7
186.05597	10.7
187.06380	4.2
188.03564	1.9
189.04257	1.4
190.04974	0.9
190.06400	11.8
198.05659	1.1
199.13400	1.3
200.13754	1.8
201.11311	0.9
204.03047	3.7
229.61986	0.7
240.04193	0.7
252.06706	0.9
255.06645	1.0
261.35339	0.7
268.06851	1.0
269.06940	1.2
280.06161	2.0
281.07047	0.9
284.05829	0.8
296.06854	2.6
297.06647	1.7
306.07635	0.9
311.09250	4.5
323.07938	0.9
324.08981	0.8
326.11588	3.2
327.12033	0.7
329.10388	1.5
356.11447	100.0
356.25439	1.8
357.11871	10.2
357.17023	1.3
357.22791	2.0
357.27567	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25579	20.6
54.84764	21.9
57.98079	22.7
59.01400	25.2
60.92799	20.6
61.98819	55.6
69.54250	100.0
96.96003	22.2
97.06598	30.9
121.02946	35.9
125.09707	22.8
357.06168	27.7
357.22995	47.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1869
Annotation	Hetidine
Peak:m/z	Relative Intensity
51.92082	0.5
54.11531	0.5
65.99844	1.3
67.26128	0.5
68.99831	0.5
83.16506	0.4
93.79337	0.4
98.22552	0.9
99.48286	0.4
108.02173	1.0
112.00414	1.6
117.90173	0.4
121.02971	1.7
122.03767	3.6
123.04559	1.0
126.99162	0.5
135.04553	1.0
137.06055	0.8
148.93990	0.5
162.98302	0.5
165.04344	0.5
183.29758	0.4
283.17035	0.6
284.20239	2.1
285.18597	23.1
286.18961	3.2
313.18378	0.6
356.18695	100.0
357.19058	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	357.0252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92873	0.5
59.01367	1.7
59.03699	0.6
69.07559	4.9
71.37575	0.6
86.14328	0.6
87.91465	0.6
90.34910	0.7
111.08093	1.1
114.43738	0.6
121.02960	1.7
125.09705	1.6
129.59715	0.6
129.60919	0.8
143.01375	1.0
157.08748	0.8
171.00917	3.8
199.00247	3.8
213.99101	0.7
214.99870	6.5
221.58565	0.7
225.99057	1.2
226.99858	3.6
242.99373	3.6
254.99442	3.1
269.98035	0.9
270.98792	6.4
294.52350	0.6
298.98346	29.2
299.98758	1.7
312.99808	0.7
313.07343	0.7
326.97824	100.0
327.98151	6.9
340.99344	1.9
342.00165	40.1
343.00537	3.2
357.02518	36.8
357.22656	1.1
357.26520	1.7
358.02667	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49026	0.8
59.01388	11.6
59.85778	0.7
61.98833	1.1
68.51074	0.8
69.33577	5.4
71.01381	6.9
72.42678	0.8
72.99323	1.3
83.01389	1.4
85.02978	2.4
87.00866	1.7
89.02464	4.4
93.03480	2.7
95.01411	0.9
95.05066	0.8
96.87695	0.7
98.22497	1.4
101.02464	3.0
105.03497	2.0
108.02190	0.8
113.02457	1.4
119.03548	1.5
121.02980	3.3
122.03766	2.2
123.04535	26.3
124.04871	1.2
125.02441	2.0
132.02162	1.3
133.02957	15.4
136.01683	1.7
137.02443	5.6
149.02431	5.3
151.04007	20.2
165.01939	8.0
165.05533	1.0
169.01454	1.4
177.01936	100.0
178.02254	4.2
178.99831	1.0
180.04239	1.5
183.06654	1.2
194.02222	1.5
195.02995	46.9
195.06612	4.4
196.03358	2.5
268.04501	0.8
329.40805	0.8
357.08221	54.7
358.08716	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	357.0982
Annotation	3'-Hydroxy-7,8,4',5'-tetramethoxyflavone
Peak:m/z	Relative Intensity
53.81021	0.7
63.89017	0.7
79.01968	0.8
111.04563	0.8
123.00936	1.1
151.04156	0.8
157.84444	0.8
164.01270	0.9
177.20383	0.7
179.03604	2.2
196.05338	0.9
200.04831	1.0
211.04039	1.4
212.04814	4.0
224.04765	0.9
228.04323	3.7
239.03577	2.2
240.04297	6.3
241.05058	1.5
255.03072	3.1
255.06735	1.7
256.03781	20.4
257.04147	1.7
259.02527	2.5
267.03079	1.1
268.03778	15.6
269.04520	2.7
271.06113	10.8
283.06161	9.1
284.03308	15.1
285.03601	1.1
286.12299	1.0
298.05173	1.0
299.05612	8.6
299.26630	0.9
312.02823	7.4
313.07159	3.2
327.05118	100.0
328.05478	8.9
341.06528	1.0
342.07455	58.8
343.07855	5.8
357.09781	46.1
357.17078	3.2
357.27078	1.0
358.10220	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	357.0981
Annotation	5,7,4'-Trihydroxy-3,3'-dimethoxy-6,8-dimethylflavone
Peak:m/z	Relative Intensity
59.01371	2.6
60.93100	1.1
71.01354	1.4
75.74948	1.0
101.02464	1.2
106.90149	1.0
108.02185	100.0
109.02457	2.2
111.00867	1.9
117.07086	1.2
123.00865	1.6
123.04533	53.2
124.01593	1.3
124.04853	2.1
125.09759	1.4
133.06593	2.0
135.04556	1.8
136.01678	1.9
143.34903	1.0
145.06638	9.6
148.05266	1.4
151.03995	2.7
151.81319	1.1
160.05305	2.3
161.06096	66.4
162.06412	2.9
163.04005	1.7
171.10316	1.8
174.03282	5.9
178.02765	2.3
179.03488	1.5
187.09883	1.8
189.05591	49.5
190.06039	3.1
192.04375	1.7
205.05115	9.3
215.03413	2.1
217.05072	2.4
218.05829	1.2
219.06552	1.3
226.81483	1.1
233.04559	92.3
234.05026	7.9
285.20694	1.7
287.09027	1.2
313.10794	7.3
357.09808	54.1
357.13345	1.9
357.19174	4.9
357.26419	9.4
358.10257	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	357.0982
Annotation	3'-Hydroxy-7,8,4',5'-tetramethoxyflavone
Peak:m/z	Relative Intensity
55.89576	0.7
57.03418	1.1
59.01359	1.0
66.31585	0.6
69.45330	3.2
71.05009	0.9
73.22089	0.6
79.01905	0.7
87.43743	0.6
105.03484	1.3
108.02174	2.0
109.02932	1.7
111.04533	1.0
114.98017	0.6
121.02934	2.8
123.00882	1.5
123.04522	1.7
124.01611	0.8
125.09695	2.3
133.02953	1.2
134.03708	1.7
135.04483	0.8
147.04466	0.8
149.02426	1.7
151.04034	3.9
163.03995	0.9
165.01945	0.8
171.10275	1.4
173.11810	1.4
175.04050	1.0
176.04779	0.6
177.01942	12.2
177.05534	0.7
181.06567	1.0
185.11833	1.6
187.03867	0.7
191.03603	1.2
193.01428	3.1
195.06685	0.8
197.06129	0.9
201.11319	1.1
209.06100	1.1
213.05638	0.8
215.03555	0.9
225.05569	1.9
227.03548	0.9
237.05730	1.0
241.05109	1.0
253.05069	2.2
254.05904	0.9
254.69798	0.7
255.06660	1.5
266.05869	0.9
269.04553	34.7
270.05020	3.4
271.02365	0.9
271.05936	0.9
271.13303	0.8
281.04620	9.2
282.05261	2.3
283.06152	20.8
284.06531	2.3
285.20724	5.8
295.06097	0.7
297.04056	5.9
297.07709	4.9
298.04669	2.4
299.05627	73.1
300.05978	6.0
301.07010	1.0
309.04129	3.8
311.05722	2.0
312.06403	1.0
313.07169	1.6
314.03967	1.0
326.04248	1.6
327.05103	65.2
327.08762	17.4
328.05472	6.4
328.09155	1.6
329.06647	2.3
341.06833	1.6
342.07449	100.0
343.07791	9.3
357.09805	79.6
357.13168	3.7
357.17352	3.6
357.26605	14.7
357.62787	0.7
358.10184	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0981
Annotation	porphyrin-5,10,15-triol
Peak:m/z	Relative Intensity
59.01368	3.6
72.99297	1.8
93.03476	2.2
97.32240	1.5
98.21830	3.8
101.02449	1.4
107.05033	2.1
108.02179	91.0
109.03029	2.2
111.00902	2.3
117.03445	1.8
119.05030	1.9
121.02966	3.1
123.00915	1.6
123.03644	3.4
123.04536	55.2
124.04831	2.8
134.03757	5.4
135.04549	8.6
137.02457	1.7
145.02943	2.9
146.03636	1.7
151.03963	4.0
158.62543	1.4
159.04486	4.3
161.02405	3.2
161.06075	4.3
162.03230	24.6
163.04028	45.9
164.67387	1.6
165.99054	1.8
167.03369	1.4
177.01970	2.7
177.05513	2.4
178.02696	4.4
187.04008	22.8
188.04512	1.7
189.05618	8.5
191.03392	2.7
193.05064	2.3
195.06670	5.0
205.05067	65.4
206.05415	3.3
215.03502	83.8
216.03801	5.0
221.08322	2.3
226.06332	2.2
233.04543	76.3
234.05043	2.9
237.07806	1.9
249.07689	3.9
253.05072	2.0
254.05870	5.7
267.08792	3.6
279.06601	1.8
281.04602	2.3
282.05298	2.9
286.28455	1.5
295.06055	2.5
296.06876	4.1
297.07648	6.6
299.05606	1.7
299.79398	1.6
311.09283	20.4
313.07025	2.0
324.06165	3.2
339.08768	41.4
340.09079	4.0
357.09790	100.0
357.19131	3.4
358.10114	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	357.0985
Annotation	porphyrin-5,10,15-triol
Peak:m/z	Relative Intensity
57.99026	0.8
59.01381	1.0
64.10521	0.7
75.52112	0.8
95.96827	0.7
109.02950	1.1
124.01667	2.2
135.04501	1.4
139.04060	1.4
150.03235	0.8
150.36559	0.8
151.03992	0.9
163.04054	0.9
175.03941	0.9
177.01930	1.3
183.08188	1.9
185.06078	1.1
195.04544	1.1
196.05232	0.9
197.06123	0.9
199.07567	1.1
209.06044	1.4
211.07683	4.3
212.04700	1.6
213.05492	1.3
217.05070	1.6
224.08469	1.8
225.26138	0.7
227.07109	4.7
237.05573	1.4
239.03511	1.1
239.07146	4.1
240.04324	4.4
241.04997	3.5
251.07150	8.7
252.07835	2.4
254.05807	0.8
255.06676	13.3
256.07288	1.1
265.05048	0.8
265.08694	1.5
266.05850	4.6
267.06458	1.6
268.07281	1.0
269.08185	7.7
270.08954	1.2
279.06601	3.7
280.07358	3.4
281.08182	16.4
282.05457	6.0
282.08289	1.6
283.06152	17.2
284.06656	1.4
297.07666	31.3
298.05035	1.7
298.08438	28.4
299.05844	0.9
299.08881	2.2
299.99182	1.7
301.07208	2.4
309.07825	1.0
313.07101	1.4
313.10617	1.0
327.08597	1.7
341.06744	2.5
342.07416	11.2
342.11038	1.5
343.07858	1.0
357.09814	100.0
358.10123	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	357.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74206	0.4
52.94938	0.4
57.03438	0.5
59.01363	1.2
65.00332	0.6
65.64019	0.4
66.21889	0.4
69.11956	3.5
81.03459	5.7
83.01408	2.0
85.06583	1.3
87.04517	1.2
95.01350	0.4
95.05052	1.5
97.02951	0.6
107.01411	0.8
109.02959	0.6
109.06607	3.7
111.04523	6.0
112.04866	0.5
123.04555	0.8
124.01661	0.5
125.02457	7.9
127.07671	0.8
130.08710	0.5
131.45850	0.4
133.06619	1.3
136.05310	0.9
143.49176	0.5
149.02438	0.9
151.00377	1.2
151.07660	27.9
152.01195	0.4
152.07985	1.2
153.05508	0.8
160.19789	0.6
164.70604	0.5
165.09213	1.4
167.03493	1.6
177.05557	1.5
191.07127	0.4
193.08803	0.6
194.87172	0.5
195.06631	100.0
196.06963	5.1
207.06615	0.9
219.06763	0.6
222.38120	0.4
237.07692	10.9
238.08069	0.7
254.97423	0.5
267.08679	3.0
282.96988	0.5
292.60141	0.4
294.25577	0.4
299.99286	0.5
303.04617	0.7
313.01682	1.2
314.99554	0.9
342.11209	0.6
345.55603	0.5
357.01230	2.3
357.11975	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.9
69.10978	2.6
69.11398	1.1
70.45308	0.4
71.01373	1.5
71.05016	1.1
73.02943	0.6
93.97884	0.5
95.04990	0.8
97.02966	0.9
100.68044	0.5
101.02493	0.5
108.02171	0.6
123.04514	0.5
135.04567	0.6
135.31813	0.5
139.03053	0.7
139.04028	8.8
151.04002	0.7
151.07645	1.7
152.04788	1.3
153.05511	0.4
163.04028	0.7
179.03511	2.6
180.04298	100.0
181.04626	5.2
194.05861	0.6
195.06635	93.5
196.06949	5.6
272.02231	0.5
294.54739	0.6
311.09335	0.9
357.11914	15.0
358.12106	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1193
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
51.22087	3.7
58.00589	9.1
58.68214	3.0
59.01384	68.2
69.12526	20.5
69.12933	6.2
71.01382	60.3
72.99304	4.8
73.02934	6.3
83.01398	8.2
85.02961	17.7
86.00099	3.3
87.00880	23.9
89.02456	36.4
95.01418	3.5
98.21812	6.1
101.02447	32.5
108.02158	5.3
113.02462	21.8
117.03429	5.6
119.03529	20.7
121.02980	11.4
122.03731	8.3
123.04524	5.1
125.02474	7.1
133.03017	4.5
137.02451	6.1
145.02969	34.3
146.03691	5.4
147.00974	3.1
147.04498	9.4
150.03171	6.0
153.01961	7.1
161.02460	30.0
161.04530	3.4
162.03235	41.5
163.03943	7.1
165.05591	8.9
177.05586	37.8
179.05737	4.4
180.04286	41.9
195.06641	100.0
196.06941	3.9
260.76779	3.6
267.08893	6.1
356.57748	3.5
357.11896	34.1
366.32642	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.4
57.03442	2.7
58.00595	1.0
59.01385	21.1
68.99831	0.9
69.03454	1.2
69.11225	2.1
69.11645	3.3
71.01385	23.9
72.99300	0.7
73.02950	8.3
75.00874	1.5
83.01376	4.5
85.02955	11.5
87.00912	1.5
87.23093	0.6
89.02457	5.0
93.03467	29.6
94.03761	1.0
95.01405	4.0
97.02946	1.5
99.00885	2.5
101.02453	18.1
108.02172	1.6
113.02464	7.9
119.03500	2.3
121.02947	2.5
123.00883	3.5
123.04539	1.3
124.01663	2.0
125.02457	0.7
132.06676	0.7
135.01108	0.7
136.01649	2.9
137.02455	90.6
138.02744	3.4
139.04041	1.9
139.11253	1.2
151.03998	2.0
151.07623	0.7
159.03006	1.5
159.59373	0.8
161.04558	4.1
163.04045	1.5
165.01984	3.8
167.03519	11.1
179.03487	1.4
180.04291	19.0
181.04778	0.9
183.10251	5.3
191.03473	1.7
195.02977	5.4
195.06636	13.0
209.04607	0.8
221.04559	1.6
225.49739	0.7
237.09778	1.6
281.06650	1.9
285.73990	0.9
306.59818	0.8
357.11914	100.0
358.12225	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	357.1192
Annotation	Glucoacetosyringone
Peak:m/z	Relative Intensity
59.01093	1.4
59.01380	20.7
60.01707	0.8
61.98819	1.7
63.78996	0.6
71.01388	13.4
71.29533	0.9
72.99297	1.4
73.02941	2.1
73.83733	0.6
83.01397	1.0
85.02953	3.7
87.00883	3.9
89.02450	8.7
93.03456	0.8
93.29079	0.7
94.90561	0.7
95.01416	1.3
99.00890	1.3
101.02460	5.4
103.04001	1.2
108.02192	9.4
109.02971	11.8
113.02443	2.8
119.03510	1.8
121.06606	0.8
123.00890	3.3
123.04519	9.1
124.01711	4.1
125.02531	1.1
133.06586	1.8
134.03743	5.3
135.04495	1.4
137.02480	4.7
138.03296	1.3
143.03542	0.7
149.02493	0.9
151.04073	3.3
151.07661	0.9
152.01170	3.0
153.01985	1.6
161.02435	2.6
162.03238	34.3
163.03885	2.5
164.04781	4.2
177.02016	0.6
177.05560	9.2
178.02754	0.9
179.03529	12.6
179.07149	2.6
180.04301	18.7
181.04988	1.7
193.05009	2.0
195.06644	34.7
196.07008	1.4
205.05212	0.8
223.13568	1.1
277.14017	0.8
289.07263	1.7
297.06375	1.4
311.09030	1.1
342.09448	5.5
357.11917	100.0
358.12292	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	357.1347
Annotation	Dehydrodiconiferyl alcohol
Peak:m/z	Relative Intensity
53.14431	0.8
68.99812	0.8
69.23579	3.4
69.23999	1.3
73.77171	0.6
87.37804	0.8
108.02190	1.6
109.02952	1.1
121.02969	0.9
125.09718	2.1
129.17934	0.8
135.04561	0.9
137.28738	0.8
147.04494	0.7
148.09476	0.9
187.09669	0.9
191.07112	2.7
196.05284	1.1
205.08722	1.1
212.04646	1.2
225.05571	1.3
226.06381	1.5
227.10812	1.3
238.06502	1.9
239.07082	1.6
240.04352	1.4
241.08752	1.5
243.10246	1.0
249.09256	1.3
250.06227	1.4
253.08731	1.8
254.05690	1.9
255.10303	2.1
264.53458	0.8
266.05750	2.3
267.06555	1.6
268.07355	1.5
269.08191	26.7
270.08655	3.2
271.09821	10.2
272.10175	1.0
278.05917	2.3
279.06461	1.0
281.08215	4.5
281.11087	0.8
282.05368	2.8
282.08554	1.0
283.06247	1.0
283.09741	2.4
293.08218	2.2
295.09641	1.7
297.07697	20.8
298.08374	4.5
299.09253	10.8
300.09720	1.0
308.10486	1.2
309.07715	6.7
311.09372	1.1
312.10016	29.7
313.10648	6.5
314.11255	1.3
323.09033	3.7
324.10007	6.0
325.10614	1.0
326.08084	5.1
327.08749	25.3
327.12451	7.2
328.09052	2.0
339.12473	1.8
339.18213	0.8
341.10318	17.2
342.11078	87.1
343.11429	7.5
357.13452	100.0
358.09720	1.3
358.13800	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	357.1347
Annotation	Saururin A
Peak:m/z	Relative Intensity
51.68666	0.8
54.28458	0.9
55.01867	4.3
57.57672	0.9
59.01365	1.6
69.39902	2.1
69.40302	3.2
71.01379	1.9
83.01392	100.0
87.95556	0.9
108.02211	0.9
109.02985	1.3
121.02965	12.9
122.03754	22.8
123.00906	1.3
123.04556	10.6
123.73251	0.9
124.01663	1.4
125.09742	2.7
134.03745	1.1
135.04556	1.2
136.05313	5.8
137.02446	3.1
137.06093	14.4
146.03787	1.8
147.04567	7.1
151.03987	1.1
154.02669	1.0
161.06093	4.3
162.06847	2.3
168.04279	2.8
174.76672	1.0
186.65826	1.1
187.09818	2.5
205.04976	1.3
206.05734	1.0
209.08264	4.9
221.08188	10.3
246.73874	1.0
251.67598	0.9
298.12152	2.5
313.14502	2.9
339.18564	1.1
342.11108	11.0
343.11392	1.5
357.13458	98.3
357.18732	3.1
357.26370	4.9
358.13727	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	357.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.1
67.01893	5.2
68.99798	1.9
69.63602	4.2
72.68830	1.0
83.01370	1.7
84.96216	1.2
95.01398	5.3
97.06626	1.9
107.01405	2.8
108.02184	41.6
108.02937	2.0
109.03001	17.4
111.00899	12.0
112.98846	1.2
113.15078	1.1
121.02962	2.5
123.00009	2.0
123.00901	35.7
123.04522	24.7
123.08152	2.3
124.01682	25.2
124.03137	1.0
125.02414	1.7
125.09745	11.1
131.43275	1.2
135.04535	2.3
136.01660	1.5
138.03209	1.8
139.00388	3.4
145.08698	1.1
150.03247	1.5
151.03926	1.1
162.03229	2.8
163.04039	7.4
165.05708	1.1
173.06139	2.4
174.06876	9.7
175.03966	1.6
175.07617	2.9
177.05577	3.7
185.11775	1.6
187.09738	7.6
189.09259	8.3
190.06357	3.0
191.07166	14.0
192.07607	1.4
205.08679	2.4
217.05057	1.2
218.05795	1.6
233.08243	8.5
260.23196	1.2
281.04556	1.6
295.19592	1.1
299.05530	1.4
304.95389	1.1
325.10608	1.3
327.05179	3.2
339.18372	1.6
342.07343	4.0
342.11099	14.7
343.11450	1.9
357.09866	4.1
357.13464	100.0
357.19009	12.3
357.26404	4.3
358.13818	12.6
358.18311	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.8
67.01879	2.0
67.94047	0.6
68.99809	0.8
69.59523	3.2
83.01381	1.9
95.01392	4.5
97.06583	1.4
107.01396	2.4
107.58313	0.8
108.02183	38.4
108.02925	2.0
109.02989	13.5
111.00889	9.4
121.02953	0.9
123.00897	30.4
123.04531	22.4
123.08198	1.1
124.01679	23.5
125.09733	9.0
131.34709	0.8
132.71826	0.7
135.04552	1.6
136.01633	1.7
138.03212	1.5
139.00395	3.3
159.04558	1.3
163.04025	2.4
165.05559	1.1
169.08675	1.1
173.06070	2.7
174.06863	8.6
175.07600	1.8
177.05602	3.2
181.43541	0.8
187.09758	5.7
189.09229	7.5
190.06357	3.3
191.07159	12.3
205.08647	2.3
207.10374	1.0
218.05898	1.3
219.06583	1.0
225.11299	1.4
233.08209	7.9
234.08459	0.7
264.75958	0.8
342.11115	12.6
343.11371	1.0
357.13452	100.0
357.19006	10.3
357.26431	2.4
358.13730	10.0
358.18216	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75042	0.3
55.73427	0.3
56.72260	0.3
59.01371	0.7
72.99305	2.2
79.26051	0.3
83.05036	0.3
93.03471	0.6
97.06596	0.8
98.22572	0.6
106.04279	0.3
107.05038	1.7
108.02157	1.8
109.03000	0.5
117.03464	0.5
119.05027	0.9
120.02190	0.7
121.02070	0.4
121.02962	8.3
123.04538	1.4
123.08178	0.5
125.09731	3.1
131.30014	0.3
133.02928	0.9
134.03752	5.7
135.04535	6.4
141.05621	0.3
145.02980	1.2
146.03757	1.0
151.04030	0.4
161.02438	1.2
162.03236	66.7
163.04016	100.0
164.04338	4.4
168.94594	0.3
172.37851	0.3
173.11874	0.5
177.05637	0.3
181.06673	0.3
181.42543	0.3
183.95811	0.3
187.03944	0.3
187.09743	1.6
188.04819	0.6
189.05598	1.0
191.07152	1.2
205.05092	0.4
206.05899	0.3
207.06667	2.0
216.22520	0.3
217.05084	0.5
225.05618	0.5
233.04535	1.3
279.06631	0.6
280.07419	0.5
281.08240	0.3
283.06244	0.5
285.20770	0.6
295.09769	0.9
298.08533	0.5
310.08411	0.5
313.07227	0.8
313.10898	0.9
325.10812	1.7
327.08597	0.4
342.11115	0.8
357.06131	1.8
357.09753	2.3
357.13510	5.8
357.19153	3.6
357.26395	2.7
358.13779	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51958	0.4
53.78031	0.3
57.03446	0.4
59.01385	0.4
60.87342	0.4
62.88741	0.4
71.27603	0.4
71.27980	0.4
72.99304	0.7
78.71556	0.4
83.05013	0.4
91.05493	0.5
93.03465	0.5
97.06599	1.2
99.00941	0.6
106.04232	0.5
107.05043	2.0
108.02180	1.5
109.02966	1.1
117.03437	0.5
119.05029	1.2
120.02193	0.5
121.02969	7.9
122.03322	0.4
123.00870	0.6
123.04549	0.8
123.08191	0.7
124.01678	1.3
125.09725	3.5
133.02966	0.8
134.03760	5.2
135.04546	6.1
145.02977	0.8
151.04047	0.7
157.27589	0.4
161.02431	1.6
162.03238	62.2
163.04019	100.0
164.04373	4.7
169.01385	0.4
171.10226	0.5
173.11819	0.7
180.36110	0.4
181.06625	0.5
187.09831	1.9
189.05592	0.8
191.07253	0.6
198.42036	0.4
207.06635	2.0
217.05078	1.8
225.11490	0.5
233.04588	0.9
265.04913	0.4
269.04376	0.6
285.20648	1.0
298.08508	0.6
299.09229	0.4
310.99319	0.4
313.10651	0.7
325.10837	1.6
327.08701	0.9
342.11307	0.7
351.14838	0.4
357.06088	1.5
357.09738	2.1
357.13525	6.7
357.19199	4.0
357.26471	3.5
358.13995	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1706
Annotation	Rosmaquinone B
Peak:m/z	Relative Intensity
55.01881	0.9
57.03436	0.7
62.39685	0.5
69.31905	2.5
69.32319	1.3
83.44993	0.5
85.06597	1.1
87.04493	0.5
95.05021	0.5
107.05046	0.9
107.08665	1.7
109.06583	1.6
111.04538	11.1
112.67641	0.5
120.55816	0.4
121.06587	0.8
123.04527	1.0
123.08163	7.0
137.02493	0.9
149.09740	1.6
151.04050	0.9
152.04700	0.5
152.20018	0.5
161.09778	1.7
163.07693	0.5
163.91339	0.5
167.07126	1.7
174.06802	0.6
177.01942	1.5
177.09218	1.9
178.02705	1.1
179.03326	0.8
179.07057	0.7
179.10805	2.5
180.04297	0.9
189.09218	2.1
191.03448	0.6
192.07945	1.8
193.08699	4.2
201.12871	3.0
203.07098	0.6
205.01366	0.6
205.04984	0.9
205.08752	0.6
207.06581	1.2
208.07300	0.8
217.12279	1.5
219.06564	1.6
221.08240	3.4
222.08965	1.4
223.09790	0.8
224.06885	1.6
227.10858	1.5
230.05890	0.7
233.08185	0.8
243.13908	2.2
245.11862	17.7
246.12248	1.9
248.06906	17.0
249.07439	3.2
261.07672	2.3
286.12097	1.4
287.12900	6.9
288.13345	1.0
298.15781	0.6
313.18076	5.4
314.18481	0.7
329.17551	2.2
357.17093	100.0
358.17441	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	357.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42158	0.9
55.17768	0.9
57.03453	5.3
59.01390	6.7
70.02068	1.6
71.05013	1.5
83.05054	1.3
85.06579	2.2
87.16225	0.9
95.05021	1.1
97.02953	2.5
97.06593	16.7
99.00892	2.6
101.07755	1.0
108.02187	7.1
109.02954	3.5
109.06622	1.7
110.03745	1.3
111.00838	1.4
113.06110	4.4
121.02930	2.0
123.00884	6.0
123.04535	4.0
123.08177	7.9
124.01653	3.8
125.09731	100.0
126.10047	3.7
131.07187	8.9
142.02725	1.0
143.10681	0.9
151.07672	2.2
162.03232	1.1
163.03979	3.0
163.11308	5.2
169.08708	4.5
175.07722	1.2
181.12344	19.4
182.12598	1.0
187.09770	30.3
188.10193	1.5
189.09259	1.1
190.06577	1.1
191.07115	2.1
199.13266	0.9
201.11343	3.3
207.10277	25.5
208.10567	1.4
225.11325	71.4
226.11691	4.0
243.12402	4.1
295.19128	5.1
339.18121	51.8
340.18469	5.9
342.11191	2.2
348.82260	1.1
354.65753	1.0
357.06296	1.2
357.09839	1.1
357.13474	18.1
357.19153	33.2
357.26566	4.5
358.13858	2.1
358.19611	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	5.3
59.01388	8.0
61.98827	1.1
67.79784	1.4
69.03446	1.4
70.48303	3.4
71.01385	1.9
71.05016	4.2
75.68957	1.2
76.37020	1.2
83.05049	2.8
85.06602	1.5
91.66811	1.2
95.05031	1.4
97.06595	15.3
99.00879	6.2
111.00903	1.2
111.04518	6.8
111.08174	3.8
113.09740	1.7
121.02958	7.3
123.04556	2.1
123.08163	6.7
125.09732	73.5
126.10059	3.3
129.05605	3.3
131.07111	1.3
133.02943	5.0
135.04512	5.0
139.07635	6.8
141.05609	2.6
143.10809	2.0
151.07628	2.6
153.09308	1.2
157.08737	3.1
161.02475	15.0
165.05545	1.7
169.08685	7.8
173.11835	9.4
179.03549	2.8
183.06654	4.5
187.09775	36.1
198.05557	1.5
207.10204	3.0
211.33170	1.2
225.11417	6.4
230.72794	1.6
243.12363	2.2
297.92242	1.4
339.18146	6.7
357.13541	15.8
357.19186	100.0
358.13773	2.4
358.19522	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	357.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	4.2
59.01385	10.4
69.73073	4.4
71.01375	3.1
71.05009	4.3
72.61443	0.9
75.62801	0.9
79.19971	0.9
81.63253	0.9
83.05029	3.2
95.05002	2.2
97.02972	1.1
97.06598	15.4
98.22525	1.1
99.00859	7.0
108.02169	2.1
111.04527	7.8
111.08165	4.2
115.80203	0.9
121.02984	5.5
121.06602	1.2
123.04524	2.6
123.08178	6.9
125.09734	74.2
125.70989	0.9
126.10049	2.3
129.05563	3.8
133.02992	2.5
135.04503	2.5
139.07664	9.0
141.05573	1.6
143.10739	1.7
151.07642	1.5
153.09203	2.5
157.08679	3.9
159.10246	1.5
161.02507	5.1
165.05540	3.4
169.08701	7.2
171.10316	1.8
173.08237	1.6
173.11824	11.3
183.06581	5.6
187.09769	39.3
188.10120	1.3
197.08296	1.3
198.05629	7.6
201.17659	1.1
207.10275	1.7
216.06734	1.8
225.11357	6.5
243.12305	3.1
339.18073	9.2
357.13611	9.0
357.19199	100.0
358.13379	2.3
358.19522	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	357.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
63.10241	0.5
63.91679	0.5
67.05523	0.5
79.05533	10.9
80.12325	0.5
82.32867	0.5
85.06618	1.1
87.04529	3.2
88.15675	0.5
107.05050	2.3
111.04524	13.7
120.23862	0.5
121.03009	0.5
141.21658	0.5
157.33513	0.6
159.08189	0.8
160.88338	0.5
175.11281	4.5
179.10773	1.5
180.11058	0.5
181.08955	0.6
187.07683	1.0
201.09135	0.5
202.10008	1.0
207.06648	3.4
215.88379	0.6
219.10251	1.9
221.08159	0.5
222.08975	1.3
245.08269	0.7
245.15482	24.3
246.15851	2.0
271.13455	1.2
287.16702	1.1
287.95294	0.6
289.14468	49.1
290.14865	5.4
313.21765	8.0
314.22122	1.2
357.20731	100.0
358.21118	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	357.2286
Annotation	oscr#21
Peak:m/z	Relative Intensity
59.01353	0.7
60.71119	0.7
71.30109	0.7
78.21513	0.6
97.06579	0.9
99.00863	1.4
105.84452	0.6
108.96944	0.5
121.02927	2.4
125.09746	1.4
127.11305	1.6
139.11263	1.0
141.12877	0.8
153.90298	0.6
155.10815	5.5
157.12289	1.0
171.10294	10.6
172.10667	0.9
277.21631	1.4
295.22794	17.4
296.23123	1.6
303.90314	0.7
305.20837	0.7
311.22250	1.6
313.23868	100.0
314.24231	9.3
333.06070	0.7
357.22836	45.9
357.26895	1.8
358.23093	4.6
381.77161	0.7
382.07288	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2285
Annotation	oscr#21
Peak:m/z	Relative Intensity
52.74606	0.6
57.03453	6.7
59.01369	0.7
71.05013	0.5
77.16739	0.5
83.05025	0.5
111.08183	5.4
121.02988	0.8
125.09739	1.1
127.11318	1.7
127.16399	0.6
137.09714	1.9
139.11305	69.9
140.11594	2.7
153.12814	2.3
155.10783	2.2
157.12321	1.5
159.10260	2.1
164.04643	0.5
173.11839	42.9
174.12193	2.1
183.10277	23.3
184.10580	0.7
197.11809	2.2
201.11331	20.0
201.13211	1.1
202.11688	1.1
215.12868	2.6
277.25308	2.6
286.63403	0.6
295.22818	7.6
295.26004	0.7
321.24362	1.0
339.21759	9.1
339.25467	2.1
340.21744	0.7
357.22821	100.0
357.26505	7.5
358.23145	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	357.2437
Annotation	Akaol A
Peak:m/z	Relative Intensity
54.09066	0.6
55.01880	1.9
61.38564	0.9
69.60329	0.6
70.26013	0.9
70.26347	1.0
76.60438	0.6
79.78368	0.6
93.23764	0.6
95.05013	1.0
107.08618	0.8
125.06075	0.9
135.08167	23.7
136.08499	1.1
137.06076	1.0
148.59758	0.6
151.07652	0.8
158.92691	0.6
163.11378	0.9
164.04803	1.0
166.06371	3.0
177.05568	3.3
177.12852	11.2
179.07143	55.2
180.07448	3.6
192.07924	5.0
206.09450	2.3
207.10277	5.4
221.11832	36.4
222.12172	1.9
245.11748	2.2
273.15015	1.2
298.04691	0.8
309.07483	1.1
326.81070	0.7
342.11066	7.9
343.11560	1.2
357.13644	7.3
357.24350	100.0
358.13721	1.6
358.24725	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	357.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.7
61.38287	0.4
61.38558	0.9
62.83591	0.4
69.24043	3.7
80.58102	0.5
83.00356	0.4
89.23173	0.4
111.04552	0.8
115.42107	0.4
120.05826	0.6
123.04547	0.6
125.06091	1.0
133.06586	0.9
135.04620	0.7
135.08171	38.0
136.08504	2.0
137.02539	0.5
137.06093	1.4
151.03970	0.7
151.07739	0.5
163.04184	0.6
165.05597	0.7
166.06383	3.6
177.05576	8.7
177.12845	5.1
179.07149	94.2
180.07497	5.3
191.07146	2.0
192.07945	14.9
193.08279	1.1
195.73381	0.5
205.08687	1.6
206.09521	1.0
207.10280	2.8
219.10217	0.9
221.11844	20.4
222.08936	0.6
222.12221	1.3
231.10242	0.9
245.11807	3.0
258.61740	0.4
273.15021	1.6
288.17276	0.9
299.09525	0.6
313.25439	0.7
318.96994	0.5
347.01764	0.5
357.24365	100.0
358.24741	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	357.3013
Annotation	1,2-O-(2'-hydroxyoctadecyl)-glycerol
Peak:m/z	Relative Intensity
53.15266	0.9
57.20693	0.8
64.76807	1.0
69.65432	4.2
72.99313	43.6
75.00880	12.9
87.07741	0.8
87.35235	1.0
95.44447	0.9
97.76462	0.8
98.21863	1.8
100.97559	0.9
150.93199	0.9
169.21086	0.9
173.67592	0.9
281.28470	2.3
311.29623	1.5
357.30109	100.0
358.30438	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	358.2025
Annotation	Comosivine
Peak:m/z	Relative Intensity
65.99852	1.6
68.99828	1.0
69.13535	2.7
69.13968	2.7
82.49088	0.7
104.43568	0.6
108.02190	1.0
110.19112	0.7
121.02933	1.1
122.03743	4.1
126.99114	1.4
163.07649	0.7
199.09723	0.7
203.33052	0.7
229.12401	1.1
256.17422	0.7
286.21872	2.2
287.20190	28.5
288.20517	2.7
316.68741	2.0
358.20251	100.0
359.20676	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0151
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76810	0.9
59.01383	100.0
61.98828	2.1
65.78294	0.8
69.50874	0.7
69.66578	3.0
72.99304	1.8
73.02934	2.9
90.97147	1.6
98.21873	1.4
114.98882	0.9
117.00456	2.3
125.21803	0.9
130.67206	0.8
132.98238	1.7
134.97008	1.3
156.90865	1.3
157.03572	1.2
159.01501	5.4
174.99287	24.7
187.00943	1.1
192.96109	0.9
198.99496	2.2
201.02554	24.9
202.02695	2.3
203.02330	1.8
215.04153	2.1
217.00328	98.3
217.03839	3.1
218.00667	3.5
231.00691	1.7
232.98528	2.7
233.98586	1.1
256.98660	1.4
259.01660	1.9
273.01682	3.3
274.99606	20.9
275.99689	3.0
276.98047	0.9
288.90054	1.0
298.99341	1.8
315.02744	1.9
317.00674	32.4
318.00754	5.2
341.00720	1.3
359.01706	47.3
360.01782	7.0
374.75259	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.015
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	98.0
70.72611	0.8
71.01385	3.7
73.02931	0.6
85.02959	1.3
86.18433	0.6
87.00857	0.7
89.02454	1.9
90.97132	1.5
101.02445	1.6
109.02966	2.3
113.02454	1.0
117.00479	0.9
119.03531	0.7
119.96991	0.7
122.03768	0.7
123.00896	1.2
130.08754	1.9
132.98177	1.8
135.04538	2.4
137.06148	0.7
138.03201	1.6
153.01955	2.7
153.05542	0.8
157.03601	3.1
159.01494	0.9
163.04073	0.8
164.04869	1.0
168.99791	0.6
174.99249	20.5
179.07173	1.7
182.02242	0.9
182.05785	0.8
194.54944	0.6
195.01355	0.7
197.04556	2.8
197.08205	2.3
201.02551	26.1
202.02646	1.9
217.00301	100.0
218.00647	3.6
359.01852	2.7
359.05911	0.8
359.08383	1.0
359.15097	1.1
360.09174	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	359.0412
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32261	0.6
59.01368	0.9
67.36516	0.8
69.16343	4.1
76.58450	0.7
84.93172	0.6
134.00090	0.8
141.09200	1.0
143.07120	1.6
149.06047	1.8
173.11868	1.7
173.68182	0.6
185.99571	1.6
195.62543	0.6
201.99063	2.7
212.81348	0.6
213.99030	1.4
229.01431	0.7
229.98576	2.1
245.00916	0.6
257.98181	1.1
260.00598	0.7
270.98764	1.7
285.00537	1.2
285.97574	37.1
286.97992	1.7
298.98434	0.6
299.18674	0.7
300.99878	11.8
313.97055	78.3
314.97391	4.9
328.99396	94.6
329.99753	7.7
344.01743	100.0
345.02057	6.8
359.04099	42.6
359.20868	3.3
360.04468	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0774
Annotation	Dibefurin
Peak:m/z	Relative Intensity
59.01374	1.0
69.13472	2.7
69.13873	0.6
75.00877	6.2
82.07981	0.4
85.51194	0.5
98.21825	1.1
99.00921	1.2
108.02171	1.3
109.02947	0.9
111.00872	0.8
111.04507	2.8
123.00888	1.6
123.04543	0.6
124.01624	0.6
125.02452	1.9
125.09750	1.0
137.02461	0.9
138.42889	0.5
140.07935	0.5
147.04526	0.6
149.06084	2.1
151.00343	0.7
151.04010	0.9
163.04085	0.6
164.04790	0.7
165.05603	1.7
166.02719	0.8
169.01521	2.4
169.02625	0.5
173.11838	0.9
174.12346	0.5
175.03996	1.8
177.05533	0.6
179.07162	0.6
185.11815	0.8
187.04097	0.6
187.09734	0.5
188.04672	0.7
189.05473	0.5
191.03511	1.1
201.08089	0.4
203.03514	1.4
204.04288	1.1
211.02403	1.0
214.02750	0.8
215.03551	1.0
215.12737	0.8
216.04286	0.8
217.05052	0.7
219.03011	0.7
221.04602	0.8
231.02945	1.4
232.03444	0.7
235.06194	0.8
235.17020	0.9
236.03372	0.7
241.08751	0.7
242.02223	1.1
243.02992	2.0
244.03699	2.3
247.02541	0.9
254.05779	0.5
257.04642	0.7
257.08224	1.8
259.02512	2.5
260.03278	0.6
267.06595	0.5
269.01010	0.6
269.08029	2.2
270.01746	0.7
271.02475	1.3
275.09180	4.7
283.19183	0.7
285.07596	2.6
285.97482	1.5
287.09518	1.2
288.02728	11.5
289.03354	1.3
295.06085	1.1
297.07776	1.0
300.99960	0.7
303.08752	1.9
308.78278	0.5
313.07263	7.4
313.97006	3.0
314.97894	0.7
315.01413	2.1
315.09039	1.2
315.12460	2.2
328.99442	5.6
331.08221	1.7
341.06601	5.4
341.13693	0.8
341.18930	0.5
342.07297	0.7
344.01709	4.2
344.05313	0.7
345.02029	0.6
358.26840	0.6
359.07758	100.0
359.19763	2.9
359.28040	3.9
360.08078	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	359.0986
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
57.01412	0.5
59.01376	2.2
66.57940	0.4
70.76756	1.1
71.01363	1.5
74.38781	0.5
75.20054	0.5
85.02965	0.6
95.01402	2.9
113.02443	0.6
123.00896	39.8
124.01239	1.5
129.47331	0.5
129.48262	0.5
137.02449	1.4
138.03241	47.8
139.03600	1.3
145.59375	0.5
153.05585	17.5
154.05951	0.8
165.01913	0.6
166.99876	13.2
180.97577	0.5
181.01414	0.6
182.02225	37.3
183.02524	1.8
197.04562	100.0
198.04893	4.6
217.00105	0.6
239.05591	1.0
248.23299	0.5
359.09790	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	359.0986
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
55.01881	2.6
57.17694	1.5
58.00587	2.7
59.01385	98.3
69.03422	1.8
71.01386	59.0
72.99302	4.9
73.02940	2.1
83.01381	4.7
85.02956	15.0
87.00873	2.1
89.02456	46.2
93.04824	1.3
95.01381	5.5
98.21721	2.5
99.00870	2.1
101.02449	28.5
111.00871	1.4
113.02460	23.1
114.42459	1.2
115.97457	1.3
119.03505	14.8
121.02971	10.2
122.03789	2.9
123.00900	6.2
123.04545	1.4
125.02435	1.7
137.02457	8.0
137.18057	1.2
137.99586	2.5
138.03192	4.4
139.00360	5.1
139.03984	3.2
153.01932	3.4
153.05574	13.8
154.02710	1.5
155.03548	1.5
161.04582	3.2
165.01970	2.2
166.99847	4.9
167.03497	1.4
179.07193	1.6
181.01410	8.0
182.02196	13.4
182.05847	4.9
195.06625	3.6
196.03751	7.8
197.04567	71.9
197.08232	17.1
198.04939	3.4
202.62288	1.4
211.06143	12.6
224.03197	4.9
239.05620	43.9
240.05725	1.7
244.41452	1.5
269.06848	6.9
299.07654	7.5
338.92889	1.5
344.07462	4.4
359.09827	100.0
359.13278	5.4
360.10126	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	359.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12748	2.2
53.68653	2.1
59.01374	4.1
61.46127	2.2
62.18273	2.4
69.08981	13.1
69.09383	5.8
71.13364	2.2
79.01888	3.7
85.06625	2.7
87.04526	4.4
97.06616	3.3
108.02231	11.0
108.02824	2.4
109.02965	8.2
111.00888	3.4
111.04528	35.9
116.23331	2.1
123.00909	7.2
123.04549	9.4
124.01675	3.6
125.02473	2.2
125.09775	3.6
135.04535	5.1
136.01654	6.9
137.02481	4.1
139.00427	2.7
139.04016	2.8
141.01904	2.5
149.02388	3.8
149.06023	3.8
150.03261	15.0
151.04042	14.3
152.04825	11.2
153.09218	6.6
154.16579	2.1
155.10812	5.9
164.04816	5.5
165.05574	4.0
167.07149	3.0
171.10306	5.8
175.03984	2.8
175.07732	2.4
177.01941	2.3
178.02708	28.1
179.03578	12.2
179.07181	7.0
180.04277	54.8
181.05069	10.7
181.08728	2.5
183.02975	4.3
183.06726	4.1
184.03694	2.2
189.05664	2.4
191.03627	4.7
192.04288	8.0
193.05074	52.7
193.08679	2.3
194.05528	5.2
195.06645	100.0
196.06972	8.0
197.08246	8.3
207.03044	13.6
207.06688	4.4
219.06735	2.5
221.04582	15.6
221.08139	3.1
223.06120	18.8
224.06723	2.4
233.07974	2.1
233.36678	2.0
235.06084	2.6
244.03830	2.7
275.09293	5.2
283.06186	4.4
285.07730	3.6
288.02676	11.0
301.07202	4.2
313.07172	3.1
315.01352	3.1
326.11511	4.1
327.08917	2.6
341.06943	4.7
341.14041	7.7
358.28299	7.8
359.07773	74.8
359.14951	48.2
359.18774	61.6
359.24664	19.1
359.28592	6.0
360.08121	8.7
360.15311	6.2
360.19156	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	359.114
Annotation	Agecorynin E
Peak:m/z	Relative Intensity
54.53517	0.5
55.01868	0.6
56.46909	0.6
57.03431	0.7
59.01130	0.8
59.01386	8.7
71.01385	8.8
71.28677	1.2
72.99306	0.6
73.02956	3.0
73.05246	0.6
81.03438	0.6
81.27299	0.6
83.01401	1.3
84.02667	0.6
84.51253	0.5
85.02963	4.5
87.00874	1.5
89.02457	5.4
92.11905	0.6
99.00897	1.6
100.94079	0.7
101.02448	7.3
103.69362	0.6
108.02182	91.2
109.02502	2.4
109.06538	0.7
111.00910	1.2
111.04514	3.2
113.02464	3.9
115.54957	0.6
119.03477	1.3
119.04993	0.9
121.02940	0.7
121.06596	1.4
121.19568	0.7
122.03633	0.7
123.04534	42.2
124.01659	0.7
124.04872	1.8
125.02522	1.2
134.03685	0.8
135.04535	8.6
135.08142	2.6
136.08603	0.7
137.06035	0.6
147.04382	0.8
149.06073	3.4
150.03200	0.7
151.04018	1.8
161.04568	3.6
161.06094	3.8
162.03314	1.1
163.04039	10.9
163.07664	2.6
164.85699	0.6
169.01453	0.9
173.06160	1.1
177.01942	1.1
179.03581	0.7
189.05569	5.2
191.03491	10.6
191.07159	3.2
193.05040	4.4
205.05072	1.9
207.06680	4.6
208.96318	0.6
217.05069	4.1
235.06126	100.0
236.06482	7.4
240.06354	1.2
255.06454	0.7
315.08719	3.0
325.24072	0.7
326.08182	1.0
359.11343	67.3
359.20734	2.2
359.60950	1.4
360.11719	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	359.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35888	0.8
59.01377	7.5
65.00327	1.1
66.44194	0.8
68.98341	7.4
71.01379	6.8
72.99326	1.0
73.02946	2.2
80.41053	0.9
81.03449	1.6
83.01429	1.0
85.02953	2.5
87.00877	0.8
89.02450	1.6
89.54812	0.8
95.01391	1.6
97.02958	0.9
99.00904	1.4
101.02480	3.8
107.01397	1.4
107.05058	1.0
108.02184	100.0
109.02403	1.9
109.03006	2.4
111.00865	1.5
111.04523	4.3
113.02443	2.1
119.04987	0.8
121.02962	0.9
123.00903	2.3
123.04537	55.0
124.01662	1.3
124.04857	1.5
125.02453	8.8
129.01999	1.1
135.04532	5.4
137.02446	2.3
139.00331	1.0
140.01160	1.7
149.06076	2.4
150.03192	1.6
151.00426	1.3
151.03969	5.8
161.02403	1.6
161.04668	1.7
161.05980	1.6
163.04076	5.7
163.07626	1.7
164.04721	1.3
168.00668	1.6
169.01418	9.7
175.04007	1.7
176.04758	0.9
177.05577	26.7
178.06107	1.3
179.03458	1.8
181.04987	1.1
183.06691	1.2
189.05606	2.8
190.02710	2.2
190.06366	1.9
191.03590	3.9
191.07184	4.2
193.05035	2.7
194.05962	0.7
195.02892	0.8
205.05064	70.1
206.05374	4.0
207.02969	1.3
207.06567	2.3
208.07181	0.9
211.02527	3.1
217.05081	5.6
235.02750	4.1
235.06126	67.4
236.06461	3.9
241.03526	1.6
268.82593	0.8
285.11514	1.3
294.93219	0.7
296.07004	1.0
318.08582	1.9
327.01492	1.1
329.10266	7.1
330.10681	0.9
341.10068	1.8
341.19659	1.7
350.10284	1.8
350.60434	0.9
351.10538	1.0
359.11246	56.7
359.15161	5.8
359.20584	7.5
359.60760	6.1
360.11520	6.4
360.15259	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1144
Annotation	9,10-Dihydro-8-hydroxy-10-methyl-8H-pyrano[2,3-h]epicatechin
Peak:m/z	Relative Intensity
52.35888	0.8
59.01377	7.5
65.00327	1.1
66.44194	0.8
68.98341	7.4
71.01379	6.8
72.99326	1.0
73.02946	2.2
80.41053	0.9
81.03449	1.6
83.01429	1.0
85.02953	2.5
87.00877	0.8
89.02450	1.6
89.54812	0.8
95.01391	1.6
97.02958	0.9
99.00904	1.4
101.02480	3.8
107.01397	1.4
107.05058	1.0
108.02184	100.0
109.02403	1.9
109.03006	2.4
111.00865	1.5
111.04523	4.3
113.02443	2.1
119.04987	0.8
121.02962	0.9
123.00903	2.3
123.04537	55.0
124.01662	1.3
124.04857	1.5
125.02453	8.8
129.01999	1.1
135.04532	5.4
137.02446	2.3
139.00331	1.0
140.01160	1.7
149.06076	2.4
150.03192	1.6
151.00426	1.3
151.03969	5.8
161.02403	1.6
161.04668	1.7
161.05980	1.6
163.04076	5.7
163.07626	1.7
164.04721	1.3
168.00668	1.6
169.01418	9.7
175.04007	1.7
176.04758	0.9
177.05577	26.7
178.06107	1.3
179.03458	1.8
181.04987	1.1
183.06691	1.2
189.05606	2.8
190.02710	2.2
190.06366	1.9
191.03590	3.9
191.07184	4.2
193.05035	2.7
194.05962	0.7
195.02892	0.8
205.05064	70.1
206.05374	4.0
207.02969	1.3
207.06567	2.3
208.07181	0.9
211.02527	3.1
217.05081	5.6
235.02750	4.1
235.06126	67.4
236.06461	3.9
241.03526	1.6
268.82593	0.8
285.11514	1.3
294.93219	0.7
296.07004	1.0
318.08582	1.9
327.01492	1.1
329.10266	7.1
330.10681	0.9
341.10068	1.8
341.19659	1.7
350.10284	1.8
350.60434	0.9
351.10538	1.0
359.11246	56.7
359.15161	5.8
359.20584	7.5
359.60760	6.1
360.11520	6.4
360.15259	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37620	0.4
59.01384	35.9
60.27004	0.5
62.05505	0.5
65.27902	0.5
66.53516	0.5
67.01876	0.8
68.99816	0.6
69.11079	3.8
75.51684	0.5
83.05040	0.7
95.01385	0.7
97.06590	0.6
99.19547	0.6
108.02171	5.3
109.02950	2.4
111.00884	1.7
111.08171	1.1
119.01383	0.6
121.02986	0.7
123.00887	4.4
123.04542	4.0
124.01703	3.0
124.14993	0.6
125.09743	2.6
125.90117	0.6
132.02194	3.7
134.03754	100.0
135.04050	3.6
137.02452	0.7
139.00429	0.9
143.99802	0.6
147.00903	5.4
148.01654	4.0
149.06094	94.7
150.03171	0.9
150.06441	4.8
151.03995	3.6
160.01675	14.2
161.02251	1.1
162.03246	7.3
163.04086	3.7
164.04784	0.7
165.05649	0.7
169.01338	0.7
175.04016	25.1
176.04395	1.6
177.01996	0.9
177.05597	2.0
180.04263	1.5
187.09753	2.5
191.07130	0.7
197.06123	1.0
213.05553	2.5
217.00258	0.6
224.04741	0.8
225.05612	2.3
229.04988	2.7
240.07954	0.7
241.05099	2.8
244.07411	1.1
253.05022	1.1
255.06624	0.9
256.07437	4.0
266.05942	0.7
267.06561	1.3
268.07019	0.6
269.04593	4.3
271.09814	6.0
271.13809	0.6
283.06259	1.5
284.06937	6.2
285.97421	0.7
299.09259	44.5
300.09604	3.8
311.09213	1.6
313.10880	0.6
314.11630	2.0
315.18335	0.7
328.99503	3.1
329.10367	1.2
329.13971	5.7
331.24930	0.9
344.08957	1.1
344.12753	1.5
359.04297	1.7
359.11328	21.4
359.15167	14.8
359.20883	0.7
359.28302	0.9
360.11728	2.3
360.15689	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45554	0.5
57.10783	0.4
59.01366	2.1
65.36649	0.4
66.03494	0.5
70.31911	0.5
70.32233	0.7
71.01382	0.9
71.91594	0.4
89.02451	0.7
96.64481	0.4
109.90331	0.5
118.10592	0.4
119.05071	0.5
120.99667	0.5
121.02981	0.6
133.64842	0.5
137.02435	2.3
137.06091	1.0
138.03239	54.6
139.03606	2.0
153.05592	26.1
154.05945	1.0
155.03529	0.5
170.02179	2.2
182.05843	36.5
183.06209	1.6
196.03535	0.5
197.08199	100.0
198.08556	4.1
225.14838	0.8
239.05658	2.0
249.06386	0.5
269.14063	1.0
359.09967	0.9
359.13470	2.6
359.17197	0.7
374.62180	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	3.4
58.00577	3.5
59.01385	90.8
71.01386	74.2
72.99297	4.8
73.02957	14.7
81.03442	1.9
83.01424	9.5
85.02957	27.8
87.00864	6.3
89.02452	37.5
95.01380	5.2
97.02927	2.6
98.21805	3.6
99.00878	6.7
101.02454	52.5
109.02913	2.5
109.58675	1.8
111.00909	2.4
111.28977	2.1
113.02451	29.3
119.03507	13.7
120.99667	5.4
121.02942	9.2
122.03743	16.2
123.00912	3.0
123.04498	7.3
125.02423	4.3
131.03513	3.4
136.01587	2.0
137.02454	8.0
137.06133	2.2
137.99619	7.0
138.03180	2.8
139.00313	5.1
149.02502	2.2
153.01973	4.7
153.05569	7.9
154.02708	4.0
159.02980	2.5
161.04520	7.9
162.98560	1.8
163.04008	3.0
164.04747	3.2
166.99825	4.1
167.03516	3.3
179.07115	6.7
181.01393	4.6
182.02217	9.3
182.05847	38.6
183.06273	2.6
193.08672	2.5
196.03844	2.3
197.00909	6.2
197.04570	39.1
197.08206	100.0
198.08507	4.1
205.56155	1.9
211.06107	6.6
224.03288	2.5
237.07581	3.0
239.05612	21.1
251.98059	1.9
299.08014	2.4
327.10876	7.4
344.07498	5.5
359.09726	48.2
359.13565	32.9
360.10129	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	359.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94240	3.3
58.00584	4.0
59.01099	5.9
59.01382	99.6
63.02209	3.3
69.34798	12.2
69.35214	8.6
71.01383	65.9
72.99300	3.5
73.02934	11.1
83.01391	7.6
84.96820	3.2
85.02966	21.3
87.00883	15.7
89.02453	50.8
90.65199	3.2
95.01375	3.5
98.44549	3.3
99.00880	4.4
101.02459	47.2
113.02454	32.0
119.03500	21.4
121.02923	8.4
122.03757	19.7
123.04525	6.3
146.03705	9.6
161.04535	8.1
163.04022	33.8
164.04791	66.1
178.06342	10.7
179.07135	87.3
182.05835	33.5
183.74541	3.5
192.38817	3.4
197.08200	100.0
221.06583	3.5
299.11255	3.5
359.09604	5.1
359.13568	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	359.1502
Annotation	Dibenzo-18-crown-6
Peak:m/z	Relative Intensity
53.10646	0.5
67.05527	1.0
68.99803	1.0
69.81924	2.6
87.04508	3.6
98.22485	0.9
111.04529	100.0
112.04866	2.5
123.00866	1.6
151.00439	1.3
181.08778	1.0
193.01379	0.8
204.07982	1.4
217.05070	2.2
219.06535	1.5
219.10254	2.2
223.02396	0.7
229.08757	1.3
230.09491	2.5
231.06636	1.0
232.07413	3.4
233.07808	0.9
245.11852	3.9
256.07291	1.1
257.08151	2.4
264.06357	2.0
273.07611	1.1
285.11282	2.1
289.10803	9.7
289.13876	0.9
290.11127	0.7
300.13745	0.9
315.16049	7.2
346.01556	0.6
359.07666	3.0
359.15015	97.9
360.15396	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27246	0.5
53.26980	0.4
54.01486	0.4
62.26405	0.5
66.72913	0.4
83.05072	0.5
98.22601	1.1
107.05066	0.8
120.56039	0.5
135.04538	16.1
136.01637	1.2
136.05000	0.5
137.02443	1.7
148.05283	0.5
149.02449	5.6
151.03981	1.4
163.04021	40.4
164.04797	100.0
165.05148	4.1
166.39101	0.5
175.07652	1.1
177.22240	0.5
177.83662	0.5
178.06371	15.7
179.07143	88.0
180.07491	3.5
207.10313	0.5
243.80287	0.5
282.49017	0.6
359.14990	6.4
359.22305	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35316	2.0
54.42148	2.1
59.01354	3.4
68.52669	1.9
70.05411	1.8
71.29655	2.7
71.30041	2.4
87.49074	2.1
90.06451	1.9
95.05023	2.6
97.06599	9.1
111.08173	3.3
121.03062	2.6
130.98366	2.1
135.04521	17.1
143.10770	7.0
149.02455	9.4
149.26132	2.2
159.06641	2.8
163.04022	33.3
164.04800	100.0
165.05058	3.9
178.06386	19.4
179.07156	92.8
180.07501	3.3
182.25270	2.0
195.04204	2.0
215.09203	2.5
217.00293	2.5
359.15149	5.6
359.22208	5.7
359.26141	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	359.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97959	0.3
55.21120	0.2
59.01370	0.8
59.99314	0.3
63.96230	0.3
65.04285	0.3
69.63956	1.2
74.99096	0.9
77.03982	1.3
82.22889	0.2
93.03461	2.2
95.01386	1.7
95.05036	1.8
96.96017	0.4
98.22438	0.4
105.03485	0.5
107.05076	0.3
119.27601	0.4
121.02968	10.8
123.00901	0.5
123.04543	1.6
123.05316	0.3
125.02456	0.8
132.02193	1.7
134.03699	0.4
135.04552	1.2
136.99126	0.5
137.02464	0.8
137.06094	0.5
147.04523	1.1
148.01680	1.0
149.02451	100.0
150.02777	2.9
151.04045	0.6
153.05591	1.2
160.05249	0.3
163.04031	2.3
163.07599	0.4
164.04802	25.9
165.05135	1.1
169.01427	0.7
175.07660	0.4
177.05545	0.6
179.03491	0.5
181.05113	1.4
182.05835	4.3
191.07138	0.3
193.05063	0.6
193.08694	5.0
195.10289	0.5
196.07416	0.8
197.08203	3.8
211.09790	0.5
243.11148	0.5
269.08182	0.7
285.07632	0.4
297.07971	0.4
299.09332	0.4
300.10062	0.5
301.10791	0.8
311.09009	0.5
312.10062	0.9
313.03522	0.3
313.10718	1.4
314.08072	0.7
315.12946	1.3
329.10294	0.7
332.09021	0.4
344.12640	21.3
345.12888	1.9
359.15033	33.8
359.20578	2.5
360.09726	2.8
360.15192	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39542	2.6
59.01365	6.9
72.99306	7.8
73.02921	2.1
75.23246	2.4
85.02950	3.5
108.02183	6.4
109.02925	3.0
119.05035	2.6
121.02956	8.4
123.04536	4.8
125.02380	3.0
135.04515	3.3
136.01651	4.1
137.02434	5.8
147.04547	6.3
149.02466	5.0
149.06058	2.5
151.03978	7.3
153.09149	2.7
158.03680	3.0
159.04488	8.0
160.05289	19.2
161.02409	2.8
161.06064	8.0
163.03992	6.3
164.04839	5.7
173.06058	4.7
174.15367	2.2
175.03983	9.7
175.07657	15.1
176.04730	4.3
177.05634	5.2
178.06279	2.4
180.04306	3.5
190.06297	5.6
191.07118	6.7
193.05077	5.1
193.08708	2.5
197.08188	2.8
199.04047	3.2
205.05238	3.0
205.08745	5.2
217.00282	4.9
227.03589	4.1
227.07225	3.8
229.04935	4.1
235.06207	3.5
239.07188	4.2
242.09503	6.2
243.06776	2.8
250.23685	2.7
255.06551	3.0
257.08362	2.9
258.08948	7.2
261.07571	3.7
267.06458	2.7
268.07095	2.5
269.04581	2.8
269.08093	7.3
270.06134	3.2
270.09000	19.4
271.09613	2.9
284.06888	9.3
285.07956	4.7
285.11307	18.0
286.08463	10.5
296.07040	3.7
297.07648	3.7
297.10876	2.6
299.09229	28.7
300.09790	5.0
300.99817	3.3
301.10748	6.0
301.99570	4.5
311.09412	5.5
312.09705	2.8
314.07965	37.2
315.08481	5.3
329.10269	66.5
329.13953	31.8
330.10590	6.3
330.14410	4.0
331.11615	2.7
341.19632	3.0
344.08508	4.9
344.12665	81.9
345.13013	5.1
359.11575	6.9
359.15002	100.0
359.20612	9.6
360.15424	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	359.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79156	0.3
59.01386	1.0
62.01750	0.3
71.89286	0.3
76.02362	0.3
82.86598	0.3
83.05004	0.4
95.05017	0.4
105.07119	0.6
107.05033	1.9
108.02190	1.9
109.03002	0.3
111.61385	0.3
112.29247	0.3
121.02950	2.1
121.06601	3.0
122.03776	1.3
123.00911	0.5
123.04534	3.5
134.03763	1.0
135.04539	34.8
136.04890	1.1
137.02446	1.5
147.04523	0.6
148.05263	0.5
149.02444	1.8
149.06085	10.9
150.03236	8.7
150.06505	0.6
151.03967	1.4
159.67276	0.3
163.04021	2.4
163.54608	0.4
164.04752	1.2
165.05591	3.4
166.02719	0.7
166.06400	0.5
179.07152	27.9
180.07933	71.1
181.08266	3.4
182.05850	1.8
192.07968	0.9
193.04930	0.4
193.08696	1.1
194.05870	3.5
194.09502	3.3
195.06531	0.7
195.10291	7.4
207.06541	0.6
208.07416	17.5
209.07829	0.9
212.06932	3.6
217.00301	0.5
220.07411	0.4
221.08224	0.9
222.09026	2.1
223.09772	100.0
224.10103	6.2
226.08492	6.9
229.04973	0.5
235.09766	1.3
239.07091	0.4
243.06465	0.4
249.05473	0.3
255.06699	0.5
255.10361	0.3
269.08286	2.0
270.08499	0.4
283.06525	0.4
283.09802	1.0
285.10782	0.3
295.09616	0.4
299.09418	1.8
299.12463	0.5
300.09995	2.1
301.10828	0.4
311.09348	1.5
314.07993	0.9
314.11725	0.8
315.09113	0.4
315.12457	1.5
316.13150	2.1
317.13745	0.4
326.11673	2.4
327.12128	0.4
329.10269	1.2
329.13858	0.5
331.15527	5.0
332.15991	0.5
341.13895	1.2
344.12650	2.1
359.04990	0.7
359.11414	0.7
359.15076	8.5
359.20789	2.1
360.15366	1.2
376.90216	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1503
Annotation	5-O-Methylhirsutanonol
Peak:m/z	Relative Intensity
59.01380	0.6
62.60710	0.3
65.03960	0.4
69.00332	0.8
69.00743	2.6
71.18365	0.3
103.20010	0.4
107.05018	0.6
108.02187	7.5
109.02991	0.9
111.04497	0.5
119.05009	0.6
121.02966	0.8
121.06633	0.4
123.00913	1.3
123.04550	4.8
124.01640	0.7
124.41935	0.3
125.02460	0.9
125.09806	0.5
129.03485	1.2
135.04539	17.4
135.34947	0.4
136.01660	1.8
136.04892	0.6
137.02423	1.7
145.02898	0.5
146.03761	0.6
147.04514	7.1
148.05275	1.3
149.02446	6.5
149.05969	0.5
151.03979	1.9
163.04024	37.8
163.07664	1.3
164.04807	100.0
165.05545	12.0
166.05923	0.8
169.61508	0.4
173.06114	0.4
175.07617	0.7
177.05505	0.4
178.06364	15.0
179.07150	75.7
180.07483	4.0
191.07214	0.4
201.14914	0.6
206.00987	0.4
234.02293	0.4
235.09743	1.3
287.22281	1.6
341.13947	1.2
359.11459	0.7
359.15042	8.1
359.19720	0.6
359.27930	1.4
360.15427	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1504
Annotation	Saccharothrixin B
Peak:m/z	Relative Intensity
59.01371	1.6
62.12329	1.3
67.01893	5.7
68.99805	1.6
69.04601	4.3
69.05019	6.0
75.00872	5.8
81.03452	2.9
83.01389	2.2
95.01393	5.6
107.01393	6.5
108.02180	28.2
109.02966	55.8
110.03315	1.5
111.00887	12.4
111.04583	1.8
118.85433	1.2
123.00893	45.3
123.04547	14.0
124.01678	21.3
125.02485	10.8
125.09752	5.9
130.97672	1.4
135.04530	1.7
136.01677	22.6
137.02464	14.8
138.03261	4.1
139.00385	4.2
140.01202	2.1
149.06108	1.3
151.00359	2.2
151.04028	21.9
160.05408	1.3
160.54082	1.3
161.06055	2.4
163.04034	2.2
164.04738	2.4
165.05635	2.3
167.03621	1.5
168.00688	1.8
169.01422	12.4
174.06783	2.4
175.04079	1.8
175.07680	5.0
187.07788	2.8
187.09735	1.8
188.04913	3.1
189.05602	6.7
191.07141	9.1
201.05621	4.0
202.06348	8.3
203.07143	4.3
211.02484	2.5
215.07135	1.4
217.08707	4.9
227.03261	1.6
235.06085	3.0
235.16948	1.4
239.52734	1.3
241.03517	6.8
248.48056	1.3
277.08524	1.2
283.09482	1.5
296.06909	2.9
297.11441	1.4
301.16611	1.4
311.09308	13.0
313.97076	1.7
318.08600	5.8
325.10825	2.9
326.11603	24.7
327.12054	3.7
328.99750	1.9
341.13934	89.7
342.14355	7.8
344.12659	3.4
347.65726	1.4
358.26901	1.4
359.15112	100.0
359.19516	4.6
359.62613	5.4
360.15271	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	359.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12988	0.3
59.01367	0.8
65.00303	0.5
65.09184	0.3
68.21420	0.3
69.11626	2.2
69.50867	0.3
71.01380	0.4
74.99103	1.0
77.03966	1.1
93.03458	1.9
95.01411	1.8
95.05024	2.0
96.96021	0.3
98.21768	0.6
105.03458	0.5
109.02928	0.6
117.67667	0.3
121.02965	9.6
122.03252	0.4
123.00871	0.8
123.04516	1.3
125.02424	0.9
132.02182	2.0
133.06554	0.3
134.03714	0.4
135.04483	1.5
135.98416	0.3
136.01741	0.3
136.99068	0.6
137.02496	0.6
137.06116	0.6
139.00406	0.3
147.04596	1.4
148.01663	1.1
149.02451	100.0
150.02789	3.8
151.00447	0.3
151.04024	1.1
153.05573	0.9
160.05338	0.6
163.04033	2.1
164.04805	25.2
165.05211	0.7
166.99858	0.3
168.00667	0.5
169.01422	0.6
175.03940	0.3
177.05569	0.6
177.09383	0.3
178.02783	0.4
178.65540	0.3
179.03438	0.5
179.07181	0.3
180.04314	0.5
181.05052	1.2
182.05862	4.1
190.06432	0.3
191.07106	0.5
193.05144	0.4
193.08701	4.9
195.10211	0.3
196.07422	0.7
197.08218	3.8
197.58350	0.3
201.11235	0.4
243.11311	0.3
269.08310	0.8
285.07663	0.6
285.11310	0.3
286.08545	0.3
296.10187	0.4
297.07645	0.3
300.10031	0.5
301.10883	0.7
312.10089	0.8
313.10803	1.7
314.08102	0.4
315.12906	1.5
329.10379	1.2
344.12665	22.5
345.12878	2.3
359.15048	36.1
359.20566	2.5
360.09772	2.8
360.15302	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	359.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.0
65.00326	0.5
67.01900	1.4
67.05524	0.9
68.99812	1.4
69.03456	0.8
70.12436	0.5
70.12788	1.4
71.01384	1.9
71.05033	0.6
72.99294	0.6
79.01926	0.6
81.03455	0.8
83.05029	1.4
87.00868	0.5
87.04522	1.4
95.01392	1.6
97.03001	0.9
99.04521	1.6
101.02421	0.6
107.01385	3.2
108.02184	14.4
109.03008	2.7
111.00894	3.1
111.04527	100.0
112.04866	3.3
121.02906	0.7
121.06631	0.8
123.00892	6.2
123.04538	6.1
124.01685	1.9
125.02458	17.9
127.00388	0.8
135.04514	1.7
136.01654	5.2
136.98793	1.7
137.02467	1.7
138.03217	0.7
139.00369	3.8
140.01163	5.5
141.01949	0.5
144.91132	0.4
146.03749	0.5
149.02487	0.9
150.76012	0.5
151.00356	1.7
151.04022	7.6
161.06055	1.3
163.03998	2.8
163.07593	0.7
165.05603	0.9
168.00648	4.2
169.01430	19.4
175.03964	0.5
175.07649	0.8
181.01474	2.3
181.08682	1.4
185.09747	0.5
189.05550	1.1
191.03545	2.1
191.07138	1.6
193.05013	1.0
202.02130	0.6
211.02429	2.9
217.05070	1.7
218.03107	0.7
219.06609	0.9
219.10185	0.8
220.03717	0.6
230.09444	1.3
232.02869	0.8
232.07361	2.0
235.06119	15.4
236.06366	0.7
237.04001	0.8
241.03514	1.5
242.05661	0.8
245.11839	2.7
256.07330	1.2
257.08081	2.7
264.06335	1.4
266.05930	0.5
268.05948	1.4
271.04654	0.7
271.09940	0.6
273.07635	0.5
281.07974	0.7
285.11365	1.2
289.10794	5.8
290.11224	0.6
300.13718	1.3
311.12814	0.9
313.05746	0.6
315.12640	0.6
315.16003	11.8
316.16428	1.1
317.07648	3.1
318.08493	33.9
318.58795	0.8
326.11362	0.8
329.13910	3.5
341.13943	2.0
344.12592	0.7
355.55994	0.5
359.11249	7.5
359.15036	65.1
359.60852	1.8
360.11386	28.0
360.15405	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	359.1504
Annotation	(-)-Lariciresinol
Peak:m/z	Relative Intensity
59.01374	5.8
72.99297	1.4
73.85426	1.5
81.03491	1.6
83.05009	1.5
97.06600	1.9
105.71523	1.4
108.02177	22.0
109.02994	14.4
111.00874	6.6
121.02959	2.4
122.03754	3.1
123.00911	28.5
123.04559	10.5
124.01689	23.0
125.02514	1.8
125.09711	5.8
137.02458	2.9
139.00352	3.1
148.05304	4.1
149.06093	6.9
150.03206	6.1
151.04025	42.8
161.02448	2.0
161.06149	1.8
162.03232	4.4
163.02716	2.5
163.04033	30.8
163.07660	4.1
165.05527	4.9
171.06717	2.0
176.04785	9.7
177.05577	42.2
179.03552	1.6
180.04280	2.7
180.28568	1.5
187.09773	6.9
189.05591	9.8
191.07150	10.9
207.06642	5.1
215.12947	2.1
217.00325	2.1
229.98628	1.7
285.97540	14.4
286.98120	2.0
297.03864	2.2
299.09296	7.3
300.99811	2.1
313.10843	1.7
313.23978	2.1
313.97168	1.5
314.07971	2.0
314.11649	40.9
315.01248	1.6
315.11853	3.4
327.08838	2.0
328.99466	30.3
329.13947	100.0
329.99692	2.4
330.14233	6.4
331.24954	11.3
344.01788	7.6
344.12598	6.2
345.13107	2.4
359.04184	20.8
359.14999	98.2
360.04340	2.1
360.15253	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	359.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	6.7
58.00582	2.9
59.01384	100.0
71.01383	64.2
72.99308	5.5
73.02956	3.5
77.84296	2.4
83.01392	4.4
83.05010	2.8
85.02943	17.9
87.00890	5.4
89.02446	53.4
95.01390	3.3
99.00877	14.6
101.02457	27.3
111.00873	4.2
113.02473	16.7
119.03493	19.1
121.02956	4.9
123.00967	4.3
123.04533	2.4
125.02478	2.8
129.01962	45.9
135.04495	7.8
136.44411	2.8
138.03311	6.2
141.09364	3.2
142.92345	2.2
143.03568	3.1
146.82877	2.2
147.04472	3.8
149.02408	15.9
153.05623	3.3
164.04767	3.1
170.93073	2.5
175.04056	5.6
177.03993	3.6
179.03555	12.3
179.05577	3.5
179.10793	46.6
180.04257	4.1
181.12364	62.3
182.12675	4.5
190.06253	4.2
191.07187	6.2
193.05093	4.5
197.11810	4.2
200.18115	2.4
205.01411	5.1
205.08684	3.6
209.11826	3.6
227.03540	3.6
229.56824	2.7
235.06148	4.4
237.35628	2.5
238.34727	2.4
299.18625	7.1
315.05228	3.1
341.19852	4.6
344.12738	4.9
359.07990	5.4
359.16873	21.7
359.21033	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	359.187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.2
59.01366	2.4
61.34694	0.5
63.70883	0.5
69.06632	0.6
69.06981	1.5
69.07291	1.2
69.07604	0.9
69.45560	2.0
69.46030	0.5
85.02956	1.5
85.06592	4.6
87.04510	2.3
95.01421	0.6
95.05027	2.1
97.02945	0.8
107.05046	1.1
109.06666	0.8
111.00882	1.2
111.04532	8.2
113.02409	1.0
113.06118	0.8
123.04530	1.2
123.08171	1.2
133.06622	1.0
135.04430	0.7
135.38652	0.5
139.04012	1.8
139.07683	0.8
151.03999	2.3
151.07689	0.8
155.07144	1.2
159.53290	0.5
161.06061	1.0
163.00397	0.8
163.03969	0.8
164.04871	0.5
165.05484	1.1
165.09222	2.6
165.44038	0.6
166.06400	1.1
177.05592	0.7
177.09129	0.6
178.06387	0.9
179.05707	0.6
179.07109	3.2
180.07855	0.6
181.05081	4.8
183.05122	0.8
183.06627	8.9
187.11398	0.8
192.07849	0.9
193.05112	1.2
194.05858	1.8
203.07188	1.6
204.07932	1.9
205.05025	2.7
205.08701	1.9
205.12465	0.8
206.05678	0.7
207.06644	2.0
209.04866	3.3
209.08205	23.4
210.08569	1.4
219.10440	0.7
220.11023	1.7
221.08195	9.4
221.11629	0.7
222.08598	0.7
223.06085	2.0
224.06889	4.3
229.08624	0.8
229.12349	2.2
230.05875	0.6
231.10303	4.6
233.08148	1.7
245.11850	1.5
247.09773	0.6
247.13449	3.3
248.10602	4.4
249.11331	10.0
250.11679	0.7
273.11337	9.1
274.11731	0.9
291.12411	14.5
291.15363	0.5
292.12735	1.3
299.16556	1.8
317.17514	1.1
341.17615	7.1
342.17905	1.2
345.76462	0.6
347.53561	0.6
359.18652	100.0
360.18954	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	359.1859
Annotation	Taxamairin C
Peak:m/z	Relative Intensity
55.01879	0.4
59.80301	0.4
61.83625	0.4
67.09013	0.4
67.22073	0.4
68.99805	1.7
77.18877	0.4
79.01876	1.6
83.01386	0.5
85.06581	2.1
87.04502	1.3
95.05028	1.1
97.02937	0.5
98.67735	0.4
107.05000	0.6
109.00941	0.4
109.03004	0.5
109.06604	6.4
111.00863	0.5
111.04521	17.3
121.02953	1.6
122.03722	0.9
123.08175	0.6
133.18555	0.4
135.04533	1.3
135.08145	0.8
136.05339	0.9
137.02463	1.4
137.09607	0.5
138.03224	4.8
139.03957	1.0
151.03969	0.5
153.05579	2.1
164.04691	0.5
164.08434	0.9
165.01918	9.2
165.09158	1.0
166.02724	18.6
167.03046	1.2
170.02061	0.5
175.07584	0.6
177.12836	0.7
178.06306	0.5
179.07141	0.8
179.10794	2.2
180.10867	0.4
189.05554	0.6
191.07127	0.9
193.05080	1.6
198.01729	0.8
201.12881	0.6
203.10776	0.9
203.14417	2.6
205.12331	18.9
206.12685	1.3
207.06624	8.2
208.07413	35.6
209.08022	4.0
219.10284	0.5
219.13718	0.4
224.06850	0.7
227.10591	0.6
227.14304	0.5
229.08636	0.4
231.10161	0.7
240.06258	0.6
245.11845	0.8
245.15559	1.0
247.09738	3.5
247.13383	4.1
247.17015	2.1
248.06908	1.7
271.17157	0.5
273.18555	0.9
287.20142	0.4
289.14493	2.3
289.18137	1.8
313.18130	0.6
315.16464	0.5
315.19595	2.3
322.53802	0.5
331.19247	0.5
341.17590	1.4
359.18643	100.0
360.19016	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	359.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.1
55.97749	0.5
57.03452	0.9
68.81918	0.4
80.02672	0.5
83.05014	1.4
85.06596	3.5
87.04510	2.0
95.01380	1.1
95.05035	1.2
107.05037	0.8
107.08673	1.6
108.02195	0.5
109.02959	0.5
109.06599	5.0
111.04531	14.4
121.06595	0.9
123.04543	0.6
123.08173	9.4
129.59889	0.5
130.12772	0.5
136.05350	0.6
137.02452	0.7
138.03223	2.2
139.04062	1.0
141.09230	0.9
145.85843	0.5
149.06128	0.6
149.23418	0.5
150.06857	2.0
151.04021	1.6
151.11278	1.7
161.09721	0.7
163.07617	0.6
165.01900	0.9
165.09181	1.8
165.12907	0.6
166.02704	1.6
167.07167	1.2
173.09798	0.7
179.10779	6.6
181.05064	0.6
183.06573	0.8
191.07130	0.6
191.10817	4.4
203.14400	1.9
203.66373	0.5
205.12318	1.4
207.06602	1.2
208.07422	3.8
209.08226	9.7
221.08231	3.6
221.15503	0.9
222.08788	0.8
223.09724	0.6
228.73007	0.6
229.12375	1.5
232.10834	0.5
233.08151	1.0
245.11847	0.5
245.15491	2.0
247.09677	0.6
247.13368	12.0
248.13782	1.2
257.11862	0.8
259.09683	0.8
259.17096	0.6
261.11340	0.9
271.13303	1.1
273.07513	1.0
273.11349	1.2
274.12048	2.4
275.12897	1.6
287.12894	0.8
288.10062	1.1
289.14474	12.4
290.14890	0.7
299.16431	0.5
313.17984	0.7
315.19623	2.4
331.19220	0.8
341.17642	2.2
359.18655	100.0
360.19019	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	359.1862
Annotation	Taxamairin C
Peak:m/z	Relative Intensity
50.62183	0.6
51.52940	0.6
53.82667	0.6
62.61061	0.6
64.16371	0.5
65.16099	0.5
68.99815	1.9
78.68543	0.5
79.01893	1.3
85.06606	2.8
87.04491	1.1
89.84615	0.6
95.05060	1.6
98.22614	1.6
107.05063	0.7
109.02982	0.8
109.06601	5.5
111.00895	0.7
111.04523	18.7
112.04864	0.8
113.06200	0.6
118.90601	0.5
121.02962	2.4
122.03699	0.9
123.08172	0.9
133.06540	0.6
135.04533	1.1
135.08148	1.2
136.05280	1.1
137.02431	1.7
137.06061	1.0
138.03233	4.8
139.03952	1.6
149.06027	0.6
153.05562	2.3
165.01936	8.5
165.05652	0.7
165.09158	1.2
166.02725	20.3
167.03169	0.9
170.02304	0.6
177.12823	1.1
179.07014	1.1
179.10703	1.3
187.11131	0.7
189.05598	0.6
191.07166	0.8
193.05203	0.7
198.01678	0.7
201.12822	0.8
203.10910	0.9
203.14381	3.9
204.67941	0.6
205.12343	19.3
206.12700	1.6
207.06670	8.4
208.07407	44.5
209.08002	5.3
231.10254	1.1
233.08182	0.7
247.09836	3.4
247.13406	5.0
247.17075	1.7
248.06979	1.2
271.13367	0.7
275.09430	0.7
289.14526	2.5
289.18091	1.5
315.16049	1.0
315.19598	2.0
341.17603	2.0
359.18643	100.0
360.19025	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	359.187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.4
59.01395	2.3
76.21619	0.5
85.02963	1.7
85.06598	5.4
87.04521	2.3
89.17817	0.4
95.05033	1.1
105.34010	0.4
107.05048	0.6
109.06617	1.0
111.00900	0.7
111.04525	7.6
111.08171	0.9
113.02451	1.0
113.06097	0.9
119.09434	0.5
133.06630	1.0
135.08113	0.5
136.05142	0.5
137.02449	0.8
137.06111	0.6
139.07654	1.1
144.55780	0.4
151.00377	0.6
151.04013	1.1
155.07147	0.8
161.06094	1.3
165.05582	1.4
166.06352	1.1
168.27838	0.4
175.07637	0.5
177.05524	0.7
177.09247	0.5
178.06421	0.8
179.07143	3.8
180.04214	0.5
180.07867	0.7
181.05084	4.0
181.90208	0.5
183.06635	10.2
187.11235	0.7
189.05659	0.6
191.07126	0.7
192.07825	0.7
193.05127	0.7
194.05827	1.3
198.05292	0.7
203.07170	1.1
204.07938	1.7
205.05052	3.0
205.08681	1.8
205.12323	1.2
206.05811	0.9
207.06586	1.8
208.07298	0.8
209.04659	3.2
209.08188	0.5
219.06586	0.9
220.11029	1.3
221.08199	5.6
223.06142	1.9
224.06935	4.5
229.08792	1.1
229.12424	2.4
231.10255	3.0
232.10883	0.9
233.08232	2.6
234.08665	0.8
245.11836	1.4
247.09756	1.3
247.13406	3.8
248.10561	4.1
248.13109	0.6
249.11307	9.7
250.11595	0.6
258.08981	1.1
273.11307	8.1
274.11771	0.8
291.12418	12.8
292.12827	1.0
299.16510	2.1
315.19748	1.0
317.17493	1.1
323.16669	0.6
341.17523	6.1
342.18069	1.1
359.18652	100.0
360.18991	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1867
Annotation	Cyclocoulterone
Peak:m/z	Relative Intensity
55.01861	0.7
64.28814	0.6
66.98919	0.6
69.11455	3.1
69.11858	1.2
69.42456	0.8
78.92298	0.5
83.89854	0.8
107.05026	2.1
111.04527	8.2
119.16962	0.6
123.04530	5.5
123.08184	2.0
137.02415	1.0
149.02385	1.0
151.04021	17.7
165.09279	0.7
175.07704	1.0
177.01976	3.9
177.09213	1.7
179.07243	0.9
181.05072	0.8
193.08725	4.9
202.98523	0.6
203.07152	10.5
204.07523	1.1
209.08165	3.1
221.08203	100.0
222.08557	5.1
247.13438	0.8
250.18602	0.6
300.55460	0.7
341.17575	0.8
359.07571	1.6
359.18661	94.5
360.19009	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	359.1867
Annotation	Taxamairin C
Peak:m/z	Relative Intensity
59.01380	1.7
71.28229	0.7
71.28604	0.7
81.03364	0.5
83.05017	0.7
85.02964	5.3
85.06580	1.6
87.04493	0.8
95.01363	1.3
95.05047	4.6
97.02995	1.0
97.06649	0.6
108.02187	1.0
109.06611	1.3
111.00895	5.4
111.04530	11.8
111.08169	1.7
112.04909	0.6
113.02448	3.8
113.06100	2.4
123.08163	1.6
125.06081	1.6
126.81151	0.6
136.01646	0.8
137.02460	2.6
137.06064	0.9
138.03244	0.8
139.07692	1.2
153.01964	1.3
155.07146	2.2
163.04010	1.7
164.04790	2.2
165.05557	1.4
166.02678	2.9
166.63094	0.5
167.03366	0.6
179.07172	2.6
179.10753	2.7
180.07858	1.3
181.05093	20.1
183.06642	25.3
184.06990	1.1
185.11830	0.6
191.07130	0.8
204.07799	0.7
207.06740	1.2
207.14052	0.9
208.07440	8.9
209.07944	0.8
221.08217	10.3
222.08554	0.7
223.06099	1.2
224.06876	1.2
231.10249	1.3
233.11781	2.0
247.13403	4.5
273.11343	2.5
275.12915	2.5
289.14655	0.9
299.16394	0.7
300.17349	0.7
315.12146	1.0
315.19559	3.0
317.17581	2.5
341.17642	2.1
359.08002	4.8
359.18665	100.0
360.15570	0.5
360.19061	12.1
360.23248	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1868
Annotation	Tricyclodehydroisohumulone
Peak:m/z	Relative Intensity
57.03418	0.6
58.33487	0.5
69.08418	4.3
72.02521	0.5
85.06627	0.7
87.04490	0.7
95.05056	0.6
97.02935	0.7
105.07082	0.9
107.05037	0.8
109.02956	0.8
109.06590	5.7
111.04533	4.8
121.02926	0.5
121.06589	0.8
123.08169	2.2
135.08142	0.7
135.43871	0.6
137.02438	0.9
137.09721	1.3
138.03232	2.5
159.08148	0.9
161.09724	1.2
165.01984	4.7
165.09222	1.5
166.02737	14.1
175.11388	0.7
191.07135	0.9
193.05132	1.0
205.08687	1.2
207.06602	5.1
208.07433	34.7
209.08063	3.7
231.13913	15.9
232.14206	0.9
235.02559	0.6
245.11807	5.6
246.12276	0.7
275.12906	40.6
275.56613	0.6
276.13187	3.2
299.13049	0.9
301.14386	2.9
315.19708	3.5
341.17740	1.1
342.61185	0.6
359.18677	100.0
360.19016	11.9
382.72043	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49727	0.3
59.46910	0.4
71.05026	0.9
79.01895	1.7
85.06590	1.3
87.04510	0.7
91.12611	0.4
92.27953	0.4
95.05025	3.7
97.02963	2.4
98.21775	1.2
107.05042	1.1
109.06595	1.4
111.04526	6.5
114.42022	0.4
121.02948	0.8
122.03722	0.6
123.04547	3.1
123.08170	3.2
135.12747	0.4
137.09776	0.8
139.03053	0.6
139.04021	6.8
141.09200	0.5
147.08174	0.9
150.06880	0.9
151.02872	0.6
151.04013	7.5
151.63200	0.4
163.07695	0.6
165.01956	1.0
165.09219	20.5
166.02736	1.1
166.09590	0.6
167.85518	0.4
177.01906	1.3
191.07179	1.4
193.08701	2.0
203.07121	3.6
207.06673	0.7
208.07454	2.0
209.08199	100.0
210.08540	5.8
221.08200	36.3
222.08484	2.0
233.08279	0.9
277.10706	1.2
289.14517	0.6
359.18646	26.2
360.18951	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	359.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49833	1.3
55.01888	10.1
57.03460	6.0
58.00597	3.3
59.01382	77.0
67.01910	1.8
69.03459	3.5
71.01388	100.0
71.28450	1.5
72.01736	2.1
72.99305	5.8
73.02956	32.6
83.01390	18.3
85.02958	48.8
86.00080	2.2
86.03252	1.8
87.00876	5.7
89.02455	31.5
95.01386	7.1
97.02966	2.8
99.00881	12.7
100.44543	1.2
101.02454	94.0
107.01364	1.9
107.05008	1.4
108.02201	10.5
109.02938	1.7
111.00895	6.8
111.04533	5.1
113.02457	43.1
119.03519	15.0
123.00898	3.6
123.04543	7.5
124.01685	2.0
125.02458	14.3
129.01915	3.1
131.03429	1.9
135.04544	2.6
136.01593	1.3
137.02405	1.4
139.00365	3.1
140.01137	3.6
143.03516	3.1
151.00404	2.6
151.04019	3.8
152.36099	1.2
159.03004	8.2
161.04570	26.9
164.04742	2.0
168.00569	2.4
169.01443	14.0
179.05678	2.4
183.06625	3.1
185.11926	1.4
191.03513	2.3
205.05084	4.7
211.02531	3.9
222.66010	1.3
235.06104	5.6
235.13373	2.6
241.03532	1.4
243.03046	5.3
244.03450	1.4
287.09366	2.1
289.16537	2.4
313.10754	2.3
318.08472	2.6
329.10251	1.7
350.09970	5.9
350.60257	2.9
350.88074	1.4
359.11075	18.4
359.15036	8.0
359.20758	30.9
359.60699	6.4
360.11237	3.4
360.15427	1.3
360.21042	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	35.8
60.11054	1.0
66.82073	1.0
68.56590	1.0
69.03446	1.9
69.79996	4.1
78.69701	1.0
97.06576	5.9
98.22431	1.2
99.08157	1.8
123.08132	3.7
125.06083	9.6
125.09713	2.5
127.11272	3.2
135.74289	1.0
141.08176	2.1
141.09238	39.3
141.10330	2.1
143.07153	60.9
144.07460	1.2
148.05272	3.2
149.06088	45.8
150.06361	2.0
152.01181	2.2
155.10768	2.1
161.02451	1.0
167.03552	1.8
173.11832	70.5
174.12195	2.2
217.00220	1.4
217.82306	1.1
235.16937	1.0
279.19571	6.1
285.97546	2.7
297.20761	8.3
298.21030	1.0
299.18634	25.2
300.19073	1.7
300.99780	1.4
313.97177	5.0
328.99380	8.7
341.19653	15.1
344.01620	8.2
347.89740	1.1
359.04147	5.1
359.20770	100.0
359.27637	16.3
360.21118	6.8
360.28207	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	4.3
59.01370	1.5
61.13552	0.7
69.03439	0.9
69.38860	0.7
71.01369	0.7
83.05031	4.4
84.81111	0.8
85.19224	0.7
95.05038	0.8
97.06601	8.3
108.02183	1.8
109.02969	1.1
109.06613	1.7
111.00928	1.1
111.04539	2.8
111.08173	12.4
123.00889	1.1
123.04540	1.9
123.08182	5.8
124.01676	2.1
125.02407	1.2
125.09736	56.6
125.56612	0.8
126.10059	1.7
126.47115	0.8
127.07681	1.0
127.11266	1.1
134.03731	1.4
135.04567	0.9
136.01767	1.0
137.02440	1.1
137.09734	1.6
141.09256	1.7
143.10805	2.6
145.93517	0.8
155.10800	13.6
159.10268	7.3
163.04063	0.9
165.05624	1.1
169.08736	1.0
169.12315	1.1
171.10280	17.2
173.08238	3.1
173.36938	0.8
175.04062	1.2
181.05096	3.5
185.11890	0.8
187.09766	11.9
189.05597	0.8
189.11363	5.9
191.03352	0.9
191.07144	1.0
203.12930	1.6
210.67877	0.9
215.03607	0.9
217.10922	1.9
235.05960	0.8
243.86020	0.8
249.98232	0.8
275.09283	1.8
279.19778	2.4
285.07452	0.8
288.02792	3.4
297.20825	0.9
313.07288	3.1
313.20313	1.6
313.23764	1.7
323.08945	0.9
329.05585	1.1
329.10419	1.0
331.24927	11.4
332.25174	1.1
341.06558	1.4
341.14032	1.4
341.19763	1.8
344.08170	1.6
359.03201	1.5
359.07770	33.2
359.20850	100.0
359.62469	1.3
360.08072	4.0
360.21237	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	359.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	5.8
58.88542	0.6
59.01384	29.5
59.28561	0.5
69.03454	1.1
69.09076	4.0
69.09489	1.2
69.50320	0.5
75.07867	0.6
83.05029	1.1
86.79914	0.5
95.01414	0.7
95.05019	0.9
97.06596	15.1
97.94661	0.7
108.02141	1.3
109.02961	0.6
109.28402	0.5
120.95739	0.7
123.00867	0.6
123.04549	1.1
123.08179	8.2
124.01701	0.8
125.02452	0.7
125.09733	100.0
126.10065	3.4
136.01691	0.7
151.04031	0.7
167.87691	0.7
169.01385	1.5
169.08731	3.4
169.12360	0.7
171.10287	1.0
181.75874	0.6
187.09734	6.8
189.11438	1.2
199.02371	0.6
253.08725	1.2
267.10199	0.7
268.10992	3.5
279.19614	5.5
297.20746	9.9
298.21161	0.8
299.18652	28.9
300.18884	2.4
315.15973	0.9
341.19696	13.5
342.19937	1.3
359.20776	71.8
359.62527	0.6
360.13251	0.8
360.21109	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
64.35226	0.5
71.05036	0.6
79.01897	0.9
79.05544	0.6
95.05039	1.3
96.68560	0.5
98.21823	1.4
99.22825	0.5
123.08183	0.9
125.06087	4.1
135.08180	0.6
137.09715	2.7
138.03230	3.4
139.04024	0.8
149.06116	0.6
159.08240	0.7
161.09715	1.5
165.01930	0.5
166.02739	3.2
177.12967	0.7
179.07054	0.9
179.10754	2.0
187.07727	0.7
189.12791	0.7
205.05252	0.6
205.08705	2.0
207.10306	0.8
219.13925	1.0
222.08939	2.2
223.09686	1.2
231.17477	0.6
233.08177	0.7
233.11864	0.8
233.15482	2.3
235.09821	0.8
236.10371	0.7
243.13914	1.2
245.15334	1.3
247.09868	1.2
249.11076	0.7
258.15829	0.6
259.09662	1.1
261.11374	1.6
262.11945	0.5
263.12878	2.0
271.17181	0.9
275.16504	7.3
276.17038	0.6
289.14429	7.8
291.16019	1.6
299.16464	0.5
301.14420	1.1
309.19138	0.5
310.23410	0.5
313.21783	1.8
315.19839	1.1
315.23312	3.0
316.16275	0.6
317.17520	3.6
341.21036	0.7
359.18771	4.0
359.22302	100.0
360.18344	0.8
360.22678	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	359.223
Annotation	cannabinerolic acid
Peak:m/z	Relative Intensity
50.44823	0.9
52.71631	1.0
59.47924	1.1
64.65178	1.0
68.98148	12.0
71.05019	1.3
85.06604	1.6
86.44804	1.0
87.04494	2.7
95.05022	4.6
103.80324	1.2
109.06590	2.1
109.24299	1.0
109.36306	1.0
111.04523	6.4
118.59987	1.2
123.08162	2.4
125.06129	1.5
137.09744	2.5
138.03224	5.0
139.04048	5.3
161.09659	1.7
165.01959	3.0
166.02710	24.8
170.02280	1.1
179.07195	1.6
179.10777	32.6
180.04222	1.7
221.08139	1.4
222.08974	24.6
223.09767	100.0
224.10051	6.0
289.14490	3.1
315.19580	4.2
315.23318	6.4
359.07745	3.9
359.15186	16.5
359.18610	18.5
359.22348	35.7
360.15366	3.1
360.19180	2.0
360.22604	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	359.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
64.19070	0.8
69.03449	0.9
70.63168	1.5
71.05029	2.0
79.01907	1.3
84.18497	0.7
87.04508	1.1
93.03501	0.9
95.05034	6.9
97.02946	1.1
109.06594	1.4
111.04530	3.1
122.03783	0.7
123.08111	0.9
125.06077	2.5
136.05330	1.4
137.09708	2.8
138.03233	1.4
139.04021	8.1
161.09848	1.0
165.01942	2.6
166.02731	7.8
179.07178	1.5
179.10788	35.0
180.11108	2.4
205.08687	1.7
208.98343	0.8
210.00641	0.6
222.08961	6.8
223.09763	100.0
224.10077	7.4
247.13193	1.1
303.15961	0.9
315.19672	3.3
341.17670	0.8
359.07745	4.3
359.14279	1.2
359.15112	0.9
359.18634	13.1
359.22363	5.7
360.18991	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.8
61.98840	2.1
70.17648	4.7
73.08903	2.1
86.09766	2.2
125.09742	16.7
127.11281	6.7
143.10744	2.5
157.12396	4.1
171.10310	5.3
187.09840	2.5
201.11388	2.2
222.57552	2.1
260.22559	2.2
279.19461	2.4
313.23849	17.2
313.97119	3.7
328.99408	7.0
329.23312	4.3
329.99786	3.6
331.24918	100.0
332.25180	10.6
344.01791	7.5
359.04074	3.2
359.20712	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42751	0.8
51.48709	0.9
54.75544	0.9
57.03445	4.4
59.01370	4.6
63.53184	0.8
65.35015	0.8
68.98628	0.7
70.15335	2.1
71.01380	1.0
71.05006	1.0
74.52186	0.8
83.05008	1.1
88.86348	0.9
97.06611	1.5
109.06628	1.3
111.36271	1.0
111.62138	0.9
112.25645	0.8
123.08192	1.0
123.73497	0.9
125.09734	13.4
127.11309	2.7
137.09712	2.8
139.11304	4.0
139.52710	0.9
141.12927	0.9
143.10823	1.0
143.31447	0.9
155.10823	3.6
165.09221	1.1
171.10307	4.0
177.16551	1.1
187.09760	7.1
201.11409	1.6
217.10956	1.3
221.20670	1.0
225.11411	1.2
227.26541	1.0
247.20685	19.0
248.21071	1.6
253.21713	1.1
265.21725	13.6
273.18570	1.6
283.22800	2.5
291.19724	8.7
309.20749	18.6
310.21118	1.9
315.19666	1.5
315.23502	2.5
315.40228	1.0
327.21759	48.7
328.22177	4.3
359.24478	100.0
360.24951	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	359.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.7
59.01367	2.1
60.45654	0.6
63.68525	0.6
69.21328	4.3
71.19614	0.6
72.57177	0.6
73.10686	0.5
75.00861	0.6
75.17805	0.6
77.53547	0.5
81.03421	0.6
81.17176	0.6
85.02940	2.6
85.06582	1.7
87.04507	0.6
91.04004	0.9
95.04992	0.7
105.91782	0.5
107.04996	0.6
109.06614	1.4
111.00888	1.2
111.04543	6.7
111.08152	0.6
113.02501	0.5
113.06055	0.6
121.02950	0.7
123.00954	0.7
123.04510	1.3
135.04561	0.6
139.07713	0.6
151.03972	0.8
153.44717	0.6
163.03995	1.1
164.04768	3.9
165.01959	0.8
165.05507	2.2
166.02713	4.0
178.06314	1.0
179.07176	2.8
181.05093	3.9
183.06622	2.8
197.08191	0.8
207.06619	1.6
208.07430	7.6
209.07997	0.9
221.19125	0.8
223.20673	84.8
224.20985	7.6
241.21707	2.5
247.09744	1.6
247.13586	0.7
266.41727	0.6
267.19662	66.2
268.19949	6.4
271.13483	1.1
285.20724	100.0
286.21130	9.6
288.02728	1.9
317.17407	1.1
341.17569	1.4
359.07840	9.6
359.14914	4.2
359.18658	44.4
359.24356	33.1
359.28165	1.7
360.07971	1.5
360.15533	0.7
360.19247	5.4
360.24579	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	359.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.0
70.59135	1.4
79.78647	0.7
89.02512	0.8
91.04011	1.6
132.89662	0.9
157.95306	0.8
195.17358	0.9
217.00407	1.0
221.19136	1.0
223.20688	80.0
224.21100	5.7
241.21783	1.3
267.16647	1.0
267.19684	62.4
268.20020	6.3
285.20737	100.0
286.21045	8.3
295.39285	1.0
359.24454	37.1
360.24799	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	361.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11938	1.0
56.71807	1.1
57.03447	2.1
59.01386	20.0
67.01895	32.5
68.99815	2.5
69.03468	2.5
70.91545	1.3
71.01387	18.0
72.99314	5.3
73.02937	2.8
75.00882	15.3
80.30343	1.0
83.01364	1.3
85.02958	17.9
87.00882	6.0
89.02440	3.5
90.54334	1.0
91.04022	1.7
93.03481	2.3
95.01376	4.0
97.02952	1.3
99.00880	8.0
103.00390	1.6
111.00891	60.3
112.01205	0.9
113.01732	2.1
113.02460	22.4
113.03189	2.1
115.00381	1.3
117.01957	5.0
123.92640	1.2
129.01962	1.3
130.04849	1.1
135.73009	1.1
148.18460	1.0
156.73514	1.0
175.02521	2.9
189.04138	1.5
219.29451	1.0
231.05153	5.9
249.06160	100.0
250.06416	5.0
266.24472	1.0
270.11249	1.1
272.33252	1.0
361.07761	30.6
362.08008	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	361.093
Annotation	5,7,3'-Trihydroxy-6,4',5'-trimethoxyflavanone
Peak:m/z	Relative Intensity
51.62725	1.5
57.86220	1.5
59.01369	4.4
71.01387	2.0
71.28249	1.5
72.99306	20.1
88.85816	1.7
93.03448	2.4
96.18519	1.5
109.02975	4.6
122.03721	5.1
137.06085	21.2
138.03285	1.6
159.52740	1.5
165.05472	1.7
179.07137	6.0
180.28522	1.5
181.06606	3.2
193.06577	7.0
195.06627	2.9
197.08096	2.0
205.05089	3.8
207.08215	11.1
211.07671	4.3
219.08186	18.6
219.72874	1.5
220.08543	2.3
223.07828	2.4
225.09251	11.3
227.07050	2.7
235.07632	11.2
237.05574	2.6
237.09215	36.2
238.09386	3.8
241.08780	4.1
241.50148	1.6
243.79449	1.6
251.07074	3.0
253.08716	38.3
254.09087	3.3
255.06700	3.3
255.10266	3.6
263.07150	10.8
269.08249	6.4
281.08197	21.4
287.09259	2.1
297.07605	9.4
299.09247	9.8
307.06335	3.5
313.07257	1.9
315.08765	76.6
316.09082	7.6
325.07224	6.5
343.08246	54.2
343.11673	3.1
344.08652	4.8
361.09274	100.0
361.13135	14.8
362.09552	10.6
362.13599	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	361.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.4
57.03438	0.3
59.01376	0.5
65.00332	0.2
69.47229	1.3
71.05019	0.6
73.02943	0.4
77.03979	0.3
79.01897	1.8
85.02961	0.4
85.06601	1.1
87.04523	0.5
95.05034	3.4
97.02972	2.3
109.06586	1.3
111.04533	2.9
115.82570	0.2
121.02952	1.0
123.08192	2.4
139.04031	6.6
140.04431	0.3
141.09286	0.4
147.08220	1.1
150.06873	0.5
153.05531	0.3
155.07050	0.2
163.07661	1.2
165.01962	1.2
165.09218	18.4
166.02672	0.9
166.09544	0.9
191.07150	1.8
207.06612	0.3
209.08203	100.0
210.08531	6.0
318.11047	0.4
361.09229	0.8
361.16266	0.6
361.20209	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	361.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43044	0.3
53.66212	0.3
55.01875	0.5
57.03444	0.3
59.01341	0.3
63.75622	0.3
69.43774	1.5
71.05022	0.6
79.01911	1.6
83.01372	0.4
85.02926	0.4
85.06596	1.2
87.04540	0.4
95.05029	3.7
97.02957	2.1
101.40025	0.3
108.02164	0.8
109.06614	1.3
111.04536	3.1
121.02985	1.1
121.06622	0.4
123.04532	0.5
123.08182	2.8
125.02457	1.1
139.04030	5.6
141.09181	0.4
147.08145	1.1
150.06894	0.7
163.07623	0.9
165.01974	1.3
165.09216	17.1
166.02711	0.9
166.09534	0.9
179.07124	0.4
181.08679	0.9
183.26204	0.3
184.45168	0.2
191.07173	1.7
195.06691	1.0
202.98686	0.3
207.06680	0.3
209.08197	100.0
210.08533	5.9
219.06641	0.7
233.54662	0.3
249.07616	0.3
260.26529	0.3
273.18561	0.3
317.17542	0.4
317.21219	0.3
332.25299	0.4
333.25497	0.8
361.09143	1.4
361.12878	0.4
361.16501	1.4
361.20285	1.1
361.24014	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08067	0.4
59.01376	1.6
61.14457	0.3
67.01887	0.4
67.37640	0.4
71.01379	1.7
72.99304	0.6
73.57623	0.4
74.99113	0.5
81.03448	0.4
83.01405	0.5
85.02953	0.8
87.00915	0.6
90.62823	0.3
96.96037	0.8
109.02952	0.9
124.98834	0.8
125.99579	0.8
127.00385	0.7
141.09213	0.5
145.90678	0.4
151.00305	0.4
151.03996	0.6
152.98322	0.6
153.99091	24.4
165.01910	0.4
168.00670	0.9
169.01436	100.0
170.01749	4.1
183.03046	1.9
184.03778	60.2
185.04089	2.4
199.06136	65.2
200.06487	3.4
217.43631	0.3
255.06805	0.7
265.93112	0.4
271.10132	0.6
329.12537	2.2
346.09015	0.6
361.03641	1.0
361.09546	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44674	4.3
59.01383	52.3
60.25424	3.8
60.26062	3.2
62.83633	3.3
63.87175	3.5
67.01913	6.6
69.30738	14.6
69.31161	8.7
71.01373	17.1
72.99296	4.4
73.02921	4.0
75.00883	6.1
85.02951	13.0
95.01418	4.0
99.00858	3.8
101.02447	9.2
106.83103	3.6
111.00861	19.3
113.02472	10.4
123.00889	100.0
124.01746	8.3
138.03242	82.1
139.04018	30.4
158.93111	4.0
161.04530	20.0
162.72588	3.8
169.01474	4.3
181.05072	9.3
193.05093	5.1
209.58649	3.4
217.00339	7.7
249.06146	16.7
301.09302	31.3
361.07666	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	361.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19364	0.5
56.60970	0.5
59.01381	1.3
71.01379	0.6
79.51958	0.5
81.25132	0.5
86.49740	0.6
89.02474	0.7
95.33057	0.4
98.22606	1.0
101.02454	0.5
107.05082	0.8
108.02179	100.0
109.02486	2.0
109.03069	0.9
111.00860	0.8
114.15203	0.5
119.05016	0.7
121.06599	2.1
121.76917	0.5
123.00888	0.8
123.04533	52.2
124.04848	2.2
133.06647	0.7
134.03751	0.5
135.04503	1.4
136.01660	0.9
137.02432	2.8
148.05278	1.0
149.02412	0.7
149.06081	6.2
155.10799	1.0
162.03246	1.9
163.04013	4.4
165.05588	0.8
176.04785	0.7
177.01918	1.5
177.05577	12.2
178.02783	0.5
178.05890	0.7
181.05019	0.9
183.10289	0.8
191.03500	32.7
191.07097	4.6
192.03807	2.3
193.05066	14.5
194.05376	0.9
199.09769	0.6
215.12968	0.6
219.06615	33.5
220.06985	2.1
237.07687	37.8
238.08038	2.4
243.12466	1.3
317.10263	0.5
343.11777	3.9
361.08545	1.1
361.12897	20.9
361.22394	1.2
362.13330	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	361.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.5
61.45391	0.4
69.32095	2.9
89.02435	0.6
101.02423	0.6
108.02182	100.0
109.03071	5.4
121.02897	0.6
121.06609	1.5
123.04536	52.2
124.01662	0.7
124.04874	1.8
133.06619	0.8
135.04550	0.9
137.02475	1.3
148.05319	1.5
149.06081	9.3
151.03911	0.5
155.10875	0.6
162.03267	2.7
163.04057	2.8
163.07674	1.4
164.04744	0.6
175.07657	1.0
176.04811	2.6
177.02077	0.6
177.05577	17.7
178.05949	1.2
191.03520	14.3
191.07170	7.9
192.03874	0.5
193.05072	6.1
204.04324	1.4
219.06635	71.8
220.07014	4.6
237.07698	14.4
238.07991	1.0
329.10306	0.5
343.11890	12.2
344.12314	1.2
361.12970	9.2
361.22339	0.7
362.13260	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1296
Annotation	Metasequirin E
Peak:m/z	Relative Intensity
59.01383	2.3
64.82429	0.4
72.73736	0.4
73.61237	0.4
76.57590	0.4
79.45441	0.4
80.02670	0.6
81.78596	0.4
93.03461	0.7
95.05028	0.4
101.02397	0.4
108.02184	100.0
109.02393	2.9
119.05049	0.6
120.30375	0.4
121.02982	0.6
121.06602	1.4
122.03822	0.4
123.00909	0.7
123.04536	54.8
124.01675	0.5
124.04878	1.8
133.06625	0.9
135.04529	0.9
137.02444	1.8
147.04515	0.7
147.68266	0.3
148.05331	1.3
149.02437	0.4
149.06097	7.8
151.03941	0.4
155.10788	0.5
162.03217	2.8
163.03996	2.7
163.07697	0.9
175.07603	0.9
176.04785	1.6
177.05576	18.1
178.02719	0.5
178.06001	0.8
181.05104	0.9
191.03522	14.0
191.07133	8.4
192.03885	0.8
193.05072	6.6
194.05476	0.4
199.13536	0.5
204.04282	1.7
209.11877	1.3
219.06636	71.8
220.07001	4.5
237.07690	14.4
238.08128	1.4
290.28140	0.5
343.11853	9.6
344.12280	1.5
361.08545	0.7
361.13010	13.4
361.18607	2.2
361.22702	0.6
362.13351	1.4
362.19070	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1509
Annotation	Gibboside
Peak:m/z	Relative Intensity
55.01888	0.8
57.03448	1.5
58.00598	0.7
59.01378	7.5
68.73589	0.7
69.18024	1.9
69.18438	2.7
71.01386	4.3
72.99303	2.8
73.02953	4.8
83.01374	1.4
83.05039	1.3
84.69103	0.6
85.02962	3.0
87.04527	7.7
89.02430	1.7
97.02952	1.2
101.02453	7.5
108.02174	1.3
108.27595	0.7
113.02454	1.2
120.99678	0.9
122.03756	0.8
123.04533	1.4
125.02422	1.3
135.08157	2.7
137.09737	16.0
139.11302	1.1
151.11261	1.1
155.10793	100.0
156.11105	4.6
161.04564	0.8
169.01468	0.7
169.12289	4.0
171.10330	1.5
181.08708	4.3
199.09770	77.3
200.10114	5.3
213.11346	3.8
220.32864	0.7
237.03983	0.9
237.09315	0.8
241.10822	17.7
241.13097	1.3
242.11151	1.2
243.12396	1.9
253.10913	1.0
273.16879	1.0
284.96506	0.9
301.12909	5.3
307.05719	0.7
313.10852	2.1
361.09268	5.3
361.18655	6.8
361.22485	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1508
Annotation	Gibboside
Peak:m/z	Relative Intensity
52.12609	1.0
59.01373	6.4
59.09218	0.9
69.06613	8.4
69.07008	1.7
71.01398	5.8
73.02952	5.2
85.02961	3.3
87.04537	7.3
88.54669	1.0
89.02460	1.3
100.47814	1.0
101.02448	10.7
109.02953	1.6
113.02476	1.2
135.08217	2.1
137.09740	15.1
145.67746	1.1
146.15657	1.1
155.10794	98.4
156.11150	5.8
161.77966	1.1
169.12358	3.0
181.08752	4.5
195.06625	1.2
199.09770	100.0
199.83492	1.0
200.10150	6.9
205.08679	1.9
213.11339	2.8
241.10846	20.6
242.11172	2.1
259.15369	1.1
301.13013	6.0
324.69131	1.1
361.09195	2.1
361.13095	5.7
361.18637	2.0
361.22491	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	2.0
57.03454	4.5
57.35501	1.5
57.67292	1.5
58.00607	2.2
59.01385	27.2
61.06348	1.7
63.91338	1.5
69.03462	2.6
71.01388	63.7
71.29141	1.8
72.99316	7.2
73.02956	4.3
81.03468	2.3
83.01401	6.3
83.12988	1.5
85.02950	17.2
87.00883	9.0
89.02445	6.7
93.03472	1.5
94.42867	1.5
95.01411	2.6
96.96053	8.4
97.02932	2.5
99.00893	3.0
101.02454	8.5
109.02949	4.1
109.06606	2.9
111.00912	2.4
111.08138	1.7
113.02460	11.8
113.45950	1.5
117.25012	1.9
119.04935	2.4
120.99689	2.8
121.03014	2.1
123.00915	2.0
123.04554	3.1
123.08144	8.9
125.02497	3.0
127.00410	2.5
131.78842	1.7
137.02490	2.6
137.06181	1.8
139.04015	2.5
139.07664	2.4
141.09210	13.3
145.03018	2.6
151.00449	1.7
151.04002	2.8
165.01984	3.3
167.07141	5.9
169.01447	4.6
169.08768	4.6
171.13394	2.0
181.08685	2.5
197.11826	1.9
199.00005	2.4
199.06085	2.0
257.08182	3.2
276.25235	1.8
285.13519	5.6
317.06570	4.7
329.12421	100.0
330.12796	8.6
361.03268	3.8
361.09537	6.2
361.15027	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	361.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74139	0.3
52.51985	0.3
59.01373	0.4
69.23813	2.0
81.13801	0.3
83.05063	0.3
93.03439	0.4
97.02955	0.3
109.02938	0.7
117.05659	0.3
121.02966	20.9
122.03287	0.6
135.04475	1.8
137.55084	0.3
150.04291	0.3
153.01967	0.4
164.04840	0.3
166.06366	100.0
166.63277	0.3
167.06700	4.1
171.10280	0.4
179.07127	0.7
181.08722	90.1
182.09045	4.2
202.98878	0.4
230.03664	0.3
243.10349	0.3
273.13489	0.3
337.62106	0.3
343.21100	1.0
361.16849	1.0
361.22372	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	361.166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27671	0.2
51.02422	0.2
51.40660	0.2
52.89740	0.2
59.01377	0.2
64.80788	0.2
65.86236	0.2
68.99512	0.6
68.99924	1.4
74.93108	0.2
92.70618	0.2
93.03460	0.7
94.03922	0.2
97.02969	0.2
101.83109	0.2
108.02193	1.0
109.03001	0.5
109.06601	0.3
111.04538	0.8
113.55248	0.2
121.02964	9.6
122.03758	9.1
122.04652	0.3
123.04552	0.3
124.01669	0.4
125.02479	1.1
135.04573	1.0
137.02470	2.2
137.06081	1.2
139.07681	0.3
153.02000	0.2
154.02718	1.2
166.02660	0.3
166.06364	13.4
167.07141	100.0
168.07478	5.0
169.01398	0.3
181.05075	0.4
181.08655	0.3
195.10240	0.7
217.13789	0.2
219.06581	0.4
313.10776	0.2
360.61765	0.4
361.12558	0.4
361.16528	4.3
362.16962	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1661
Annotation	Macrocalin B
Peak:m/z	Relative Intensity
50.34383	0.4
58.45922	0.4
59.01381	0.4
66.86826	0.4
67.74656	0.4
69.16311	0.6
69.16714	2.1
92.03545	0.4
93.03468	4.3
98.22591	0.7
108.02209	0.9
109.02969	8.4
111.00832	0.4
115.53391	0.4
119.05044	1.2
121.02967	34.7
122.03764	21.1
122.05061	0.5
123.00907	0.5
123.04577	4.5
124.01689	2.5
129.03471	1.8
134.03729	1.6
135.04532	5.5
136.01646	0.6
136.05324	2.2
137.02472	4.2
146.03757	2.0
147.03360	0.8
147.04533	14.0
148.05229	1.4
149.06081	2.8
150.03275	0.7
153.01904	0.6
154.02739	3.7
159.04466	0.7
160.05287	0.6
161.06090	6.7
162.06818	0.4
163.04013	0.8
164.04808	1.3
165.05580	36.0
166.05902	1.6
168.04211	0.5
173.06078	0.7
175.07675	0.5
178.06396	1.1
179.07144	13.2
180.07899	3.7
191.07111	0.9
193.08641	0.4
194.05856	0.5
202.98665	0.5
208.07401	0.4
209.08281	2.3
223.09721	1.4
228.17757	0.4
270.81290	0.4
297.11127	0.4
298.12152	1.1
300.09869	0.4
301.10898	0.7
313.14520	1.4
315.12338	3.7
316.12991	1.1
328.13257	0.6
331.12134	0.5
331.15411	2.1
343.15463	1.4
346.14212	12.3
347.14536	1.4
361.16571	100.0
362.16949	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	361.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95497	0.6
55.01867	2.3
57.03441	2.5
58.00583	1.1
59.01383	25.5
59.78269	0.6
68.77863	0.6
69.82640	0.6
71.01385	17.6
72.99313	1.8
73.02948	4.8
80.69286	0.6
83.01408	4.4
85.02953	8.3
86.00107	0.9
87.00883	1.3
89.02454	5.8
89.02936	0.9
95.01403	1.0
98.95403	0.6
99.00887	2.1
101.02456	12.7
108.02228	1.0
109.02946	1.4
111.04576	0.7
111.08170	0.9
113.02473	5.1
119.03513	0.9
121.02970	2.6
122.03756	1.0
125.02390	0.8
135.04529	0.9
137.02434	1.9
137.06061	1.9
147.04556	1.0
149.06120	0.9
155.10789	1.8
165.05608	2.5
179.07173	1.1
180.04344	1.7
181.05072	3.2
181.12355	2.3
199.09782	1.3
199.13420	6.5
209.11864	0.6
331.11539	0.7
339.04242	0.7
346.14169	1.0
361.18738	100.0
362.19113	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	361.2014
Annotation	Cespihypotin S
Peak:m/z	Relative Intensity
50.30755	0.4
57.03457	0.5
67.25221	0.5
87.42879	0.5
109.06600	2.6
111.04511	1.0
112.56046	0.5
121.02947	1.0
121.06666	0.6
123.08189	0.9
135.84302	0.5
137.02466	1.4
138.03275	4.4
163.07712	0.8
165.01958	6.3
165.09210	2.2
166.02721	21.5
167.03017	0.8
167.67004	0.5
170.02194	1.0
179.07152	1.0
180.07907	0.6
189.05434	0.6
191.07137	1.1
193.05112	1.0
207.06606	7.9
208.07413	47.5
209.07866	4.0
218.76884	0.5
231.13919	1.2
247.09697	2.8
274.12051	1.2
275.12982	1.3
277.10828	0.6
317.21179	1.1
343.19022	2.5
361.20209	100.0
362.20578	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	361.2017
Annotation	Cespihypotin S
Peak:m/z	Relative Intensity
71.10612	2.9
90.81999	1.9
109.06623	3.7
111.04551	2.7
138.03233	2.7
165.01949	4.8
165.09300	2.4
166.02739	28.8
192.49252	2.1
193.05045	1.9
207.06674	10.3
208.07419	63.3
209.07837	3.7
247.09787	5.4
337.67929	2.1
361.20251	100.0
362.20618	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	361.2011
Annotation	Cespihypotin S
Peak:m/z	Relative Intensity
67.87609	0.3
79.01907	0.4
85.06596	0.5
97.27810	0.3
98.22557	0.5
109.02920	0.3
109.06601	4.8
110.00119	0.3
111.04491	1.5
121.02966	0.8
123.08172	0.3
137.02461	1.7
138.03230	4.0
139.03972	0.4
165.01936	5.8
165.05626	0.5
165.09190	0.5
166.02725	21.1
167.03110	1.0
170.02261	0.7
174.92928	0.3
177.12849	0.5
179.07094	0.9
180.07877	0.7
183.64528	0.3
189.05640	0.4
191.07132	0.9
193.05037	1.0
193.47346	0.3
198.01768	0.3
207.06622	9.1
208.07410	62.1
209.07886	3.7
240.06320	0.3
247.09796	0.9
259.09674	0.4
274.12119	0.6
275.12790	0.6
281.54840	0.3
287.20157	0.7
291.15964	0.7
299.20258	0.3
317.21271	1.2
331.19104	0.4
343.19073	1.9
361.20212	100.0
362.20557	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	361.2013
Annotation	Cespihypotin S
Peak:m/z	Relative Intensity
65.81885	0.4
80.36333	0.4
85.06590	0.8
92.97171	0.4
98.22516	1.6
98.95940	0.5
109.06595	4.4
111.04523	1.3
114.62688	0.4
121.02933	0.4
123.08192	1.0
129.66896	0.4
136.05302	0.6
136.24518	0.4
137.02451	0.9
138.03244	3.7
153.02052	0.5
164.01201	0.4
165.01904	5.2
165.09171	0.7
166.02721	19.2
167.03143	1.1
170.02234	0.6
179.07173	0.6
180.07976	0.5
191.07251	0.6
193.05029	1.1
207.06625	6.6
208.07411	46.2
209.07776	3.3
210.07991	0.5
247.09776	0.6
291.16031	0.7
317.21198	1.9
337.52698	0.4
343.19415	1.1
357.11642	0.5
361.20200	100.0
362.20551	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	361.202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13493	0.6
55.01864	0.6
57.03438	0.7
62.91917	0.5
69.64224	0.5
71.28256	0.9
74.76472	0.6
79.01898	1.0
85.06599	2.3
87.04559	0.8
95.05029	0.8
96.22044	0.5
98.03749	0.5
103.14046	0.5
109.06602	1.2
111.04530	3.8
116.20859	0.5
122.13875	0.6
123.08168	5.4
125.02460	0.6
138.03258	2.7
139.03993	1.0
141.09181	1.2
151.04012	0.6
153.05579	0.7
158.84193	0.5
165.01970	3.9
165.09192	2.8
166.02728	18.8
175.11519	0.5
179.07130	0.7
179.10811	1.0
180.07939	0.6
180.34291	0.5
191.07135	0.7
193.05119	1.1
198.40309	0.7
207.06635	3.5
208.07411	55.2
209.08119	9.6
212.78494	0.5
221.08205	2.4
222.08859	1.3
223.09891	3.4
233.08154	1.0
235.09891	0.9
252.45653	0.6
273.11374	1.4
273.14734	0.6
274.12051	0.6
275.12994	0.8
276.74438	0.7
285.11337	0.7
297.18573	0.9
299.12878	1.3
299.20062	1.0
303.16061	2.2
341.17557	1.2
343.19138	23.7
344.19482	3.2
361.20224	100.0
361.27548	2.6
362.20560	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2023
Annotation	Cespihypotin S
Peak:m/z	Relative Intensity
55.20876	0.2
61.59872	0.2
68.22277	0.3
69.03419	0.3
69.26254	1.2
69.26655	0.4
70.91601	0.2
79.01905	0.4
85.02975	0.6
85.06604	1.9
87.04514	0.5
89.13546	0.3
95.05035	0.6
97.02995	0.3
98.21803	0.4
107.05018	0.5
109.02943	0.7
109.06606	3.3
111.00899	1.4
111.04519	2.8
111.08111	0.3
121.02994	0.4
121.06617	0.3
123.04558	0.3
123.08139	0.6
125.02467	0.5
135.04512	1.0
136.05302	0.7
137.02493	1.1
137.06108	0.4
138.03246	2.5
147.08144	0.6
150.06799	0.4
154.48856	0.3
163.07666	0.9
164.01086	0.2
164.08467	1.4
165.01933	4.7
165.09190	1.8
166.02722	17.0
167.03088	0.7
170.02217	0.5
179.07195	1.2
179.10728	0.3
180.07935	0.5
181.05074	0.7
181.08632	0.4
183.06667	0.7
183.37085	0.2
185.15024	0.3
189.12738	0.4
191.07109	0.5
193.05052	0.9
193.12363	0.3
195.06686	0.4
198.21432	0.3
207.06647	5.8
208.07417	47.5
209.07944	3.6
219.13979	0.3
221.08231	0.7
223.09703	0.3
240.06371	0.5
247.16960	0.5
248.06877	0.5
249.14967	0.5
257.12177	0.2
273.14706	0.3
285.11496	0.3
289.18228	0.3
291.16071	0.9
299.20151	1.1
315.19504	0.3
317.17764	0.4
317.21222	3.2
318.21780	0.3
343.19101	2.0
361.20233	100.0
362.20572	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	361.2023
Annotation	Nelumol B
Peak:m/z	Relative Intensity
51.95080	1.1
59.01391	1.3
69.15851	6.8
70.30402	0.9
97.76638	0.8
109.06610	3.4
111.04515	2.1
138.03235	3.4
165.01938	4.3
165.09210	2.3
166.02727	17.5
179.07117	1.5
202.98822	1.3
207.06627	8.6
207.43658	1.1
208.07422	45.4
209.07956	2.8
214.37659	1.0
223.04919	1.0
247.09752	1.9
274.12177	1.6
317.21326	1.5
343.19141	2.3
361.20209	100.0
362.20544	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38175	0.2
59.04047	0.3
79.08550	0.2
84.64291	0.3
85.02953	0.6
109.02957	0.3
111.04517	1.7
124.01672	0.6
125.02449	1.1
137.02420	0.8
139.00398	0.2
149.69666	0.3
151.00418	0.5
153.01950	3.8
154.02739	2.6
163.03972	0.5
167.03467	0.4
178.06358	1.1
179.07190	0.4
180.00652	2.0
181.01437	2.2
181.05095	2.5
182.02225	11.2
183.02597	0.5
183.06633	1.7
191.03473	0.3
195.06616	0.8
203.64688	0.3
205.05023	0.4
206.05832	0.9
207.06599	0.8
208.07353	0.7
209.04579	1.2
209.08134	0.3
223.06139	1.1
223.09682	0.4
224.06905	100.0
225.07245	5.7
230.05600	0.3
233.08215	0.5
248.06920	2.4
291.12369	1.2
303.15985	1.3
343.19107	1.1
361.20221	23.0
362.20563	2.7
374.74002	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00832	0.6
52.89562	0.6
57.03440	1.8
59.01367	1.9
84.06071	0.7
85.02963	1.1
85.06593	8.3
85.71290	0.6
86.50761	0.6
87.04526	2.6
95.05015	1.5
98.21813	1.7
109.06564	0.9
111.00867	1.8
111.04540	4.5
111.08208	1.2
113.06110	0.9
136.05293	0.7
137.02470	2.3
139.07680	0.7
151.94435	0.6
163.07651	0.6
165.05560	1.4
180.07896	1.3
181.05069	7.8
183.06630	9.5
187.11461	0.6
208.07394	2.2
209.04564	5.1
223.06134	3.4
224.06888	4.1
229.12340	0.9
231.10233	1.7
231.13969	1.7
233.11806	1.0
245.11722	0.9
249.11169	1.3
249.14900	1.4
257.11896	1.0
269.34424	0.6
273.11349	2.3
273.14600	0.6
275.12753	1.1
285.11154	0.9
291.12381	1.4
299.12909	1.7
299.20236	1.1
300.13568	1.6
301.18201	3.1
303.12155	0.7
309.45712	0.7
315.19571	1.0
317.21164	1.3
343.19135	15.5
344.19388	1.1
361.20215	100.0
362.20529	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	361.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28603	0.6
57.03429	0.8
59.01364	1.5
60.23356	0.6
61.06045	0.6
79.93753	0.6
84.89818	0.6
85.02946	1.6
85.06591	7.6
87.04525	3.3
93.23930	0.5
95.05038	1.5
98.22500	1.0
106.44984	0.6
111.00889	2.1
111.04528	5.3
111.08096	0.7
116.81580	0.5
129.35730	0.6
137.02374	1.4
137.79828	0.7
139.07635	1.1
140.26329	0.5
155.07208	1.2
165.05521	1.8
180.07922	1.2
181.05112	5.4
183.06615	10.2
208.07397	2.1
209.04532	6.2
213.09084	0.7
223.06136	3.3
224.06900	6.7
231.10207	1.9
231.13872	2.5
245.11823	0.7
247.13457	0.9
249.14880	2.0
257.08035	0.8
257.11792	1.3
273.11383	2.6
275.12860	0.8
285.11295	0.6
299.13010	1.3
299.20120	2.1
300.13736	1.4
301.18088	3.6
303.12582	0.6
315.19498	0.8
317.21207	1.2
319.19037	1.1
343.19150	16.3
344.19470	1.3
361.20215	100.0
362.20544	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	362.0731
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98035	6.5
59.01375	8.3
61.98833	75.6
70.84826	8.8
71.01371	9.1
72.99302	6.4
74.99104	83.1
82.82687	5.6
87.00887	5.1
89.02443	6.8
93.03455	9.4
101.02448	6.3
111.00865	8.7
120.99734	6.9
125.02462	14.8
127.02240	7.5
128.03014	25.3
129.03746	6.2
136.99155	100.0
137.02466	36.9
161.02480	6.0
169.01402	9.6
176.52972	5.6
213.09639	8.8
217.05165	5.3
224.41995	5.1
282.99115	9.1
283.47711	5.5
289.07224	6.5
301.00040	9.3
363.11246	49.6
363.15872	8.1
363.21747	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	363.0337
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.1
60.01368	2.6
63.80701	0.6
67.01865	0.7
69.41414	3.4
71.01385	8.6
72.99300	1.8
73.02957	1.4
81.18414	0.7
84.01373	1.4
85.02957	7.4
87.00890	3.2
89.02441	1.1
93.03465	8.3
98.02964	1.3
99.00931	1.2
99.04528	0.7
101.02462	1.0
109.02956	1.9
110.57713	0.6
111.00894	4.7
111.04516	3.6
112.00876	0.7
113.02444	1.1
115.00379	19.6
123.99541	0.5
126.18223	0.6
126.98923	0.8
129.01926	0.6
133.01439	46.0
134.01781	1.0
137.02437	2.5
142.96631	1.2
147.02980	1.1
154.05530	0.7
165.04025	0.8
172.03011	2.2
173.04518	4.1
190.04059	4.3
191.01990	3.3
191.05621	26.7
191.07376	1.3
192.05931	1.2
198.04550	6.1
201.65227	0.6
216.05615	25.1
216.96701	1.9
232.05125	5.5
234.06676	2.2
247.01463	2.0
286.06232	3.0
303.00436	3.8
316.07272	1.2
327.13037	1.7
343.74893	0.7
346.08279	2.5
348.92221	1.0
363.02658	1.7
364.09344	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	363.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12249	1.2
59.01382	8.9
63.51630	1.2
65.00331	3.5
69.13535	10.3
71.01405	6.6
72.64770	1.2
73.02940	1.3
77.99995	1.5
82.69900	1.2
85.02948	1.9
89.02441	4.7
95.01380	1.3
95.02859	1.2
101.02451	5.1
113.02431	3.7
117.03481	1.5
119.03509	1.7
121.02917	2.0
122.03739	2.6
129.03499	4.0
130.04231	1.3
132.02173	2.8
134.03729	4.7
135.00986	2.1
137.02461	3.5
141.03456	3.5
143.01332	2.0
143.05025	2.6
145.02965	4.7
146.03737	5.4
147.04517	1.3
149.06070	7.0
151.04034	1.7
157.02954	14.0
158.03696	3.8
159.00858	2.9
159.04533	4.6
160.01630	3.2
161.02408	5.1
161.04585	2.0
161.06079	1.4
164.04753	2.3
165.05530	2.6
166.06477	2.8
167.07162	15.1
169.01434	2.1
171.00868	6.9
173.02431	6.5
173.06158	1.8
174.03249	6.4
179.07167	7.0
182.05856	4.9
183.06615	5.2
184.01639	2.2
185.02461	40.7
185.04124	2.2
186.02994	3.8
187.00433	4.4
187.03929	3.3
189.01900	4.9
189.05589	2.2
190.02786	6.8
195.57458	1.6
201.01985	9.3
201.05537	1.6
202.02689	7.9
203.03456	4.1
205.05069	2.0
213.01892	11.8
214.02556	3.7
214.99829	4.6
215.03387	2.3
216.00603	5.0
216.04268	2.7
217.05042	5.9
218.02197	11.3
219.03018	1.7
229.01421	10.9
229.05038	5.5
230.02196	53.5
230.99303	2.1
231.02902	10.4
232.03577	2.7
233.02377	1.4
233.04573	22.6
234.01698	3.9
234.04840	1.4
243.03111	2.2
243.99951	2.5
244.03787	4.3
245.04558	46.7
246.01668	2.9
246.04965	3.6
247.02498	7.5
258.01608	2.6
259.02283	1.9
259.06186	2.4
260.03156	2.7
260.06827	3.3
261.04074	7.7
262.01279	2.3
272.03326	7.5
273.03946	2.5
274.01215	3.8
277.03497	12.3
278.00638	3.5
289.03577	19.5
290.03723	1.8
293.03229	6.2
293.10333	34.3
294.10529	2.9
304.05914	5.7
305.03445	2.5
305.06665	6.5
307.04681	7.3
308.05246	1.5
319.08246	58.4
320.08487	4.2
321.02493	14.4
337.09323	100.0
338.09650	8.4
348.04785	1.7
363.07181	6.5
363.16962	3.7
363.23975	10.6
364.07504	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07906	0.8
56.98038	6.0
59.01374	2.8
60.97537	1.8
63.96247	1.1
69.40204	4.9
71.01379	1.6
72.99316	4.4
73.98305	3.4
74.99104	100.0
75.99384	0.9
80.60286	0.8
83.01370	1.2
85.02949	1.2
87.00890	8.5
88.70550	0.7
89.02432	1.1
99.02764	3.0
101.02467	1.0
109.02953	2.0
110.01975	3.8
117.97300	1.0
118.98095	3.6
120.99673	4.0
124.01714	1.1
125.02483	5.9
125.04272	1.2
127.02238	7.8
128.03036	22.5
129.03813	1.5
135.98376	2.2
136.99153	98.2
137.99496	1.4
149.09744	1.7
151.03975	1.3
161.09625	1.4
165.01952	1.3
166.05840	0.9
167.03571	1.1
177.07460	2.3
179.10817	3.0
184.09808	3.1
195.08530	4.7
199.04124	1.0
201.36258	0.8
213.09579	3.7
215.07634	1.1
225.11238	1.6
231.02957	1.0
239.07431	3.1
241.05159	1.1
243.03009	1.7
243.12154	1.1
257.08533	3.8
275.09641	2.4
282.98984	2.2
289.07361	1.1
305.06644	2.5
315.08627	1.4
315.52872	0.9
326.39005	0.8
345.10236	1.5
363.11234	49.3
363.21790	1.9
364.11499	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	363.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99254	1.1
56.98043	5.6
59.01381	1.6
60.97534	1.4
63.96236	2.4
70.98930	1.1
72.99303	4.0
73.98317	2.5
74.99101	94.3
75.99452	1.3
76.51170	0.9
85.02985	1.0
86.71641	1.2
87.00887	8.4
98.21809	2.6
99.02726	3.3
110.01983	7.7
117.97332	1.4
118.98096	4.8
120.99654	2.7
125.02435	3.3
127.02249	11.3
128.03032	29.5
129.03813	3.4
135.98402	1.6
136.99153	100.0
137.99504	1.9
161.09756	1.6
165.07394	2.1
170.08986	1.1
179.10745	2.1
195.08545	7.3
213.09595	7.6
221.23106	1.0
225.11346	1.9
239.07520	4.8
243.03067	1.1
244.40964	1.0
257.08554	5.6
275.09558	1.7
282.98907	2.0
305.06735	1.5
363.06592	2.6
363.11212	51.5
363.21707	1.6
364.11566	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.112
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15501	0.8
56.79952	0.8
56.98044	4.0
58.90188	0.7
59.01369	2.7
60.97522	0.9
63.96225	1.4
72.99316	5.1
73.98310	2.9
74.99101	94.1
75.99428	0.9
87.00892	5.4
87.02722	1.4
98.22515	2.7
99.02752	2.5
102.00557	0.8
109.02984	1.9
110.01968	2.1
113.03799	0.8
118.98072	3.8
120.99660	3.5
125.02425	4.2
127.02242	4.8
128.03032	13.6
129.03458	0.7
135.98369	2.9
136.99150	100.0
137.99525	1.4
145.10213	1.0
145.46194	0.7
148.20724	1.0
149.02634	0.7
150.03201	0.8
151.04080	0.8
162.03058	0.8
169.01416	2.7
177.07436	3.0
191.03603	1.2
192.24660	0.9
195.08513	3.4
213.05473	0.9
213.09474	3.4
225.11433	0.9
239.07465	2.8
243.12297	0.9
257.08719	1.3
275.09567	1.3
282.99005	1.0
287.02991	1.4
319.04422	1.0
363.11194	39.2
363.21564	1.5
364.11514	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	363.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75349	1.2
55.01883	1.8
56.98046	6.9
58.00597	1.3
59.01386	54.9
60.48174	1.1
60.97533	1.7
63.96254	3.0
68.45747	1.5
69.65378	6.1
70.38169	1.2
71.01392	29.2
71.05048	1.9
72.45148	1.2
72.99311	4.7
73.02958	8.2
73.98312	2.9
74.99103	98.6
78.61941	1.1
83.01378	2.6
85.02965	10.2
87.00890	12.2
87.04537	1.9
89.00661	1.4
89.02454	15.0
93.07658	1.2
95.01402	2.1
97.06610	2.2
98.22422	1.9
99.00923	2.4
99.02763	3.2
101.02460	17.8
109.03007	1.9
110.01974	6.3
111.00908	2.5
111.04472	1.6
113.02477	8.5
113.06120	1.5
116.07223	1.5
118.98123	3.4
119.03511	6.3
120.99680	6.0
121.10289	1.7
125.02462	6.0
127.02276	4.1
128.03038	14.3
129.03842	1.5
129.05533	1.2
135.98361	1.6
136.99158	100.0
137.99557	1.5
139.04019	1.9
139.07675	1.7
139.11313	4.5
161.04604	5.3
161.09750	1.4
163.04042	2.2
169.01436	4.1
179.05705	1.2
179.10823	3.2
183.10295	5.0
184.09801	5.4
189.02219	1.2
195.08553	1.9
201.07732	4.0
201.11386	9.8
205.24722	1.4
213.09529	3.2
215.09357	1.8
225.11270	2.8
239.07521	2.3
257.08572	2.1
275.09720	1.8
287.02930	1.7
345.10303	2.1
345.15457	1.4
359.91602	1.3
363.04221	1.8
363.11252	37.9
363.16647	46.3
363.20990	2.1
364.11676	4.1
364.17093	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	363.13
Annotation	Pyridaben
Peak:m/z	Relative Intensity
55.01877	2.5
57.03444	7.8
57.03701	1.6
59.01093	2.9
59.01385	50.1
67.01891	1.8
68.99811	3.7
69.03479	1.9
69.46899	7.6
71.01386	58.2
72.99310	14.5
73.02940	3.8
75.00873	40.0
81.03487	1.5
83.01395	2.7
85.02953	59.4
87.00874	20.1
89.02448	14.2
91.04066	1.9
95.01406	12.4
99.00888	22.3
99.01482	2.2
101.02455	4.2
103.00361	5.1
111.00874	1.9
113.02462	66.9
113.06097	71.6
114.02786	1.5
114.06416	2.6
115.00408	4.7
117.01956	6.5
119.03510	2.7
120.99662	6.6
125.02415	3.2
129.01974	5.1
140.46019	1.4
148.59782	1.5
157.01608	1.7
157.02983	1.6
157.93686	1.5
161.04541	1.6
175.02507	5.7
185.02501	2.0
201.01830	1.5
202.02728	4.3
205.07199	5.8
207.05157	1.5
213.02048	1.9
217.05046	1.9
223.08249	2.9
228.04483	1.6
230.02180	3.7
231.05096	6.1
232.29945	1.5
244.00302	1.7
245.04527	3.5
249.06177	56.8
249.08771	3.2
250.06470	3.4
259.02597	2.4
260.06906	1.8
267.07224	99.2
268.07532	6.4
275.09439	2.4
303.10739	1.9
304.05939	3.4
319.08203	2.8
345.11993	2.7
363.12982	100.0
363.16620	5.5
364.13251	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	363.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87821	1.2
59.01366	2.8
59.64139	1.3
80.52897	1.3
84.16683	1.4
85.02986	1.3
96.96040	2.2
108.02177	2.9
109.02948	16.3
121.02962	14.9
122.03770	14.7
123.04524	2.5
134.03737	20.8
135.04546	10.2
137.02466	3.8
142.78778	1.2
146.03746	25.9
147.04402	2.7
149.06084	33.9
150.03239	2.4
150.06424	2.7
161.06065	13.9
164.04793	14.0
165.05577	20.0
166.06364	15.4
167.07144	100.0
168.07463	4.7
174.75156	1.4
179.07150	57.2
180.07512	1.6
221.08250	8.4
229.05023	3.4
315.12433	3.8
327.12512	5.7
335.49960	1.4
363.03763	2.3
363.11069	1.7
363.24081	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	363.1818
Annotation	Xerophilusin C
Peak:m/z	Relative Intensity
53.25822	0.7
57.03453	3.1
59.01370	1.6
60.22787	0.5
67.57424	0.5
71.28574	0.7
85.02945	2.5
85.06612	3.0
87.04514	2.3
95.01393	2.2
95.05043	1.8
97.02977	0.6
111.00927	0.6
111.04534	5.7
111.08168	0.7
113.02480	3.0
121.02973	0.7
121.06610	0.7
123.08195	0.9
125.06062	1.0
125.09766	0.8
135.04514	0.7
135.08092	0.5
137.09709	2.0
138.03239	0.8
139.04007	0.6
139.07642	1.5
145.63602	0.6
147.04564	0.7
153.09225	0.8
155.07095	0.8
163.07690	1.6
165.05588	3.2
165.09236	0.8
166.06259	1.2
179.10796	1.6
181.08727	2.2
183.06625	10.4
184.07053	0.7
189.12885	1.2
191.10770	0.9
198.05450	0.6
201.28693	0.6
207.06723	1.7
207.13965	3.3
208.07445	0.8
208.14308	0.6
209.04501	0.9
209.08194	1.0
217.05078	0.6
221.08185	0.9
223.06157	1.0
223.09822	4.1
231.06670	1.3
231.13753	0.8
233.08087	0.7
233.11884	2.0
237.76500	0.6
249.07635	1.8
249.11337	1.6
251.12996	0.6
259.09723	3.2
260.10449	1.6
261.07755	1.4
261.10971	0.6
275.12836	1.3
277.07495	0.9
277.10883	3.2
277.14450	0.9
287.13083	0.8
302.11798	0.7
302.15137	1.3
302.18384	0.7
303.16037	7.0
305.13828	1.4
317.17371	0.8
319.15540	1.5
319.19183	1.6
321.17303	1.3
345.17075	17.0
346.17438	1.9
348.15991	1.4
363.18127	100.0
364.18530	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	363.1817
Annotation	DODECAHYDRO-8''-HYDROXY-1'',2'(5'H)-FURAN-5',5''-[5H-1,4A](METHANOXYMETHANO)NAPHTHALEN]-2,9''-DIONE
Peak:m/z	Relative Intensity
50.37724	0.3
50.98486	0.3
57.03447	1.0
57.07286	0.3
59.01386	4.0
62.06306	0.3
69.03458	0.6
69.17020	0.3
71.01385	2.4
71.05024	0.6
71.29054	0.3
83.05034	1.9
83.33060	0.3
83.68386	0.3
85.02984	0.7
85.06553	0.3
87.00887	0.5
89.02457	2.5
93.07139	0.4
94.56615	0.3
95.01363	0.5
96.96048	0.4
101.02461	1.2
109.02943	0.9
109.06614	0.4
113.02515	0.8
114.40007	0.3
119.03515	1.1
120.99673	0.9
121.02919	0.8
121.06611	0.4
121.07455	0.3
122.03728	0.7
123.04539	1.2
125.02467	2.7
133.10286	0.6
134.03778	0.8
135.04486	0.4
136.12721	0.3
138.05606	0.3
139.03966	0.4
146.03786	0.9
149.02486	0.6
149.06140	1.0
150.03281	0.4
151.03999	0.8
152.01237	0.4
161.06033	0.5
164.04785	0.5
165.05571	4.0
166.06367	0.6
167.03436	0.6
167.07164	3.0
169.01447	1.0
179.05753	0.4
179.07103	1.5
183.10283	1.4
187.03967	0.4
187.11015	0.4
191.03432	0.4
201.11426	0.9
205.12361	0.5
213.12875	0.4
249.11435	0.5
257.13354	0.3
273.18604	0.9
275.20309	0.7
289.07196	0.6
301.18216	0.5
303.05200	0.5
319.19144	5.5
320.19571	0.5
345.17081	10.7
346.17468	1.0
363.18164	100.0
364.18472	10.1
386.34076	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14938	1.3
61.98835	3.1
64.41234	1.2
66.67542	1.4
70.58800	2.9
70.59132	2.6
108.07640	1.3
198.95323	1.5
225.55301	1.3
239.07220	3.0
247.20720	10.3
265.21725	8.6
291.19708	6.2
309.20706	11.4
319.22739	1.7
327.21759	100.0
328.22098	10.4
363.12375	4.9
363.18695	2.3
363.21915	2.2
363.25562	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	363.2187
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
52.90257	0.2
57.03451	9.4
61.46144	0.2
62.63755	0.2
69.24625	2.0
71.47401	0.2
85.06593	100.0
86.06927	2.0
109.06582	0.7
111.04563	0.4
113.09753	1.3
115.78082	0.3
124.10942	0.3
127.07660	70.1
128.07991	3.1
181.08716	8.4
182.08981	0.3
184.07001	0.4
185.07140	0.3
208.07419	0.3
209.08224	0.6
220.10748	0.3
235.13379	3.6
261.07742	0.9
277.14429	3.5
287.13312	0.3
305.13916	1.3
307.06250	0.3
363.18375	2.8
363.21799	61.0
364.22144	7.5
380.62418	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2519
Annotation	Ciprostene
Peak:m/z	Relative Intensity
60.15117	1.0
64.22353	1.0
69.24776	4.8
69.25171	1.9
85.41029	1.1
94.84776	1.1
98.22507	2.5
124.07764	1.2
158.54367	1.1
240.38077	1.1
267.23264	1.9
295.26434	20.3
296.26822	2.1
308.17114	1.1
313.21469	3.9
315.23102	4.1
325.87598	1.2
327.16901	1.2
335.25778	1.8
345.20389	1.5
345.24292	1.7
347.22104	8.1
358.52576	1.2
363.25183	100.0
364.25525	10.9
377.22882	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.0313
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23083	17.3
61.98830	79.2
70.81265	30.3
70.81606	17.1
72.92045	15.9
98.21826	18.3
121.02885	19.5
151.00348	48.5
177.46555	17.6
178.99739	24.9
182.94978	16.8
245.58942	18.3
272.66211	16.6
301.03485	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	364.0679
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77123	4.2
51.12405	4.2
61.98836	100.0
63.39331	4.2
71.29176	5.6
71.29540	5.7
83.73619	4.6
96.96039	5.7
123.63750	4.0
125.22987	4.4
131.37273	4.7
135.04532	4.4
137.26077	4.9
205.96268	4.6
224.79343	4.4
243.06494	6.0
251.97221	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	364.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
60.00806	5.7
61.98832	64.3
67.32624	7.0
69.43082	12.8
69.43488	28.8
71.01386	57.9
73.02937	11.0
75.00917	7.5
85.02953	33.1
89.02447	35.3
95.01376	7.0
96.96963	17.4
97.06592	13.3
97.72141	7.2
101.02461	32.8
107.65903	7.2
113.02438	29.1
115.03990	6.7
116.85244	7.1
119.03482	11.0
125.02448	22.4
127.30341	7.4
141.05547	24.0
143.03529	7.3
161.04533	9.6
185.04552	19.7
191.05721	8.8
203.05652	12.3
203.93401	6.2
205.03242	6.5
225.98093	6.4
239.64371	6.6
249.06268	7.2
253.20691	6.6
305.07315	8.1
321.12024	9.0
364.99466	7.6
365.09961	22.8
365.14734	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56144	1.2
56.31521	1.1
57.03447	1.3
59.01364	5.8
61.01019	3.5
71.01374	4.2
71.27793	1.6
72.99318	1.2
73.02932	2.9
78.52357	1.3
78.95890	4.0
84.29848	1.1
85.01025	1.4
85.02946	13.8
87.00880	19.7
88.89545	1.2
89.02412	1.4
93.03461	11.3
96.96011	1.6
96.96944	3.0
99.00893	2.7
99.02657	1.6
99.04513	2.6
109.02985	2.5
111.00887	7.8
111.04498	3.4
113.02477	2.1
115.00354	3.2
127.03980	1.3
133.01442	3.1
137.02402	2.0
142.97478	2.8
142.99895	2.5
155.03513	1.3
160.04016	5.7
173.02452	2.0
173.04538	5.5
185.04521	1.9
191.03755	7.4
191.05608	75.9
192.05943	4.1
199.04138	6.4
202.31099	1.6
217.05247	28.9
218.05385	1.2
224.96538	2.4
228.97594	2.8
230.92461	1.2
233.04716	4.5
235.06302	2.8
260.89606	2.2
267.07217	1.5
268.95483	2.5
287.05722	3.2
298.33362	1.2
302.90665	1.8
317.06528	1.3
347.07861	3.1
365.08966	100.0
366.09143	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	365.0898
Annotation	Psoralenoside
Peak:m/z	Relative Intensity
51.85402	0.5
52.08323	0.5
57.03446	0.8
59.01364	2.3
61.01020	3.0
67.01891	1.1
69.03445	0.8
71.01395	2.8
73.02946	1.9
74.09001	0.5
85.01021	1.6
85.02946	7.5
87.00883	4.8
89.02404	1.0
89.75160	0.6
93.03474	8.6
94.03761	0.7
99.00879	1.9
99.02565	0.9
99.04525	0.8
101.02439	0.9
109.02947	2.4
111.00875	1.9
111.04517	3.3
113.02451	1.5
120.99624	0.8
125.02448	0.7
131.01588	0.7
133.01448	1.0
137.02437	2.7
141.05544	0.9
143.01605	0.5
143.03532	0.7
147.02979	1.2
155.03456	0.8
155.05290	0.6
160.04121	2.9
173.02554	2.6
173.04543	4.8
179.05638	0.8
183.12807	0.5
185.04533	1.2
191.03722	5.8
191.05585	29.0
192.05989	1.2
199.04202	5.1
217.05238	25.7
218.05586	1.1
233.04774	5.1
235.06343	3.3
267.07452	0.6
287.05716	3.1
305.07150	0.7
317.06937	1.1
327.13174	1.1
347.07993	2.2
365.08972	100.0
366.09369	7.6
366.13947	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19263	0.6
51.11746	0.6
57.03421	0.8
59.01376	6.3
69.03703	5.9
80.56789	0.7
83.05037	0.9
85.02471	1.3
85.02952	15.3
85.06602	4.3
87.04529	1.8
95.05031	11.8
97.02967	0.8
100.28937	0.6
109.02941	1.4
109.06600	13.5
111.00883	1.9
111.04527	30.9
111.08167	3.5
112.04861	0.8
113.02462	3.3
113.06106	7.0
121.02908	0.6
121.06612	0.7
123.08183	1.8
125.06136	0.8
127.07640	0.7
135.04521	1.0
135.08191	0.8
137.02467	0.8
137.06093	3.7
141.05605	1.7
146.72556	0.7
147.08096	1.0
149.06076	1.1
150.03152	0.7
155.07172	7.8
156.07558	0.9
161.09808	0.7
163.04013	0.9
163.07620	0.8
165.05537	2.4
165.09203	2.3
167.07083	1.6
169.19749	0.7
173.06042	1.0
179.03639	0.7
179.07161	3.3
181.05078	13.7
181.08705	1.4
182.05486	0.7
183.06627	100.0
184.06973	5.0
189.05629	1.4
189.09296	0.9
189.12827	1.0
191.07147	3.0
192.07935	0.8
193.05037	1.9
197.08163	1.1
204.07730	0.7
207.06645	9.5
207.10255	0.7
209.08284	3.6
217.05057	1.4
217.12265	1.3
231.06621	10.1
232.07449	3.4
233.08128	1.1
233.11897	0.9
235.06198	1.2
236.75290	0.7
245.08223	1.9
249.11423	0.7
251.05649	2.9
259.13422	6.7
261.11319	7.5
275.12766	3.3
277.10977	1.0
277.14493	1.8
277.18002	1.0
279.12375	3.0
303.12384	25.9
304.12766	2.0
305.10440	1.4
321.09976	1.2
321.13443	4.5
322.10550	0.8
347.11401	4.4
365.12421	21.3
365.19604	10.9
365.23621	1.3
366.12814	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	365.1242
Annotation	Inumakilactone D
Peak:m/z	Relative Intensity
50.19263	0.6
51.11746	0.6
57.03421	0.8
59.01376	6.3
69.03703	5.9
80.56789	0.7
83.05037	0.9
85.02471	1.3
85.02952	15.3
85.06602	4.3
87.04529	1.8
95.05031	11.8
97.02967	0.8
100.28937	0.6
109.02941	1.4
109.06600	13.5
111.00883	1.9
111.04527	30.9
111.08167	3.5
112.04861	0.8
113.02462	3.3
113.06106	7.0
121.02908	0.6
121.06612	0.7
123.08183	1.8
125.06136	0.8
127.07640	0.7
135.04521	1.0
135.08191	0.8
137.02467	0.8
137.06093	3.7
141.05605	1.7
146.72556	0.7
147.08096	1.0
149.06076	1.1
150.03152	0.7
155.07172	7.8
156.07558	0.9
161.09808	0.7
163.04013	0.9
163.07620	0.8
165.05537	2.4
165.09203	2.3
167.07083	1.6
169.19749	0.7
173.06042	1.0
179.03639	0.7
179.07161	3.3
181.05078	13.7
181.08705	1.4
182.05486	0.7
183.06627	100.0
184.06973	5.0
189.05629	1.4
189.09296	0.9
189.12827	1.0
191.07147	3.0
192.07935	0.8
193.05037	1.9
197.08163	1.1
204.07730	0.7
207.06645	9.5
207.10255	0.7
209.08284	3.6
217.05057	1.4
217.12265	1.3
231.06621	10.1
232.07449	3.4
233.08128	1.1
233.11897	0.9
235.06198	1.2
236.75290	0.7
245.08223	1.9
249.11423	0.7
251.05649	2.9
259.13422	6.7
261.11319	7.5
275.12766	3.3
277.10977	1.0
277.14493	1.8
277.18002	1.0
279.12375	3.0
303.12384	25.9
304.12766	2.0
305.10440	1.4
321.09976	1.2
321.13443	4.5
322.10550	0.8
347.11401	4.4
365.12421	21.3
365.19604	10.9
365.23621	1.3
366.12814	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	365.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.6
57.03437	1.1
58.00594	0.7
59.01104	1.1
59.01383	17.1
59.56633	0.4
67.86829	0.5
69.06896	0.8
69.07295	3.2
70.35469	0.5
71.01385	13.4
71.05031	0.7
72.99303	1.9
73.02947	4.8
83.01406	2.7
85.02948	6.2
86.00130	0.6
87.00848	1.0
89.02442	4.1
95.01385	1.2
97.02920	0.8
98.21772	0.7
99.00880	2.3
101.02455	12.3
111.00900	1.2
113.02451	5.1
115.07652	1.0
118.96646	0.5
119.03570	0.9
119.05043	0.5
120.99641	0.7
125.02422	0.8
127.11276	0.7
134.62189	0.5
137.09586	0.4
139.11234	0.5
151.03967	0.8
157.12328	2.7
159.02939	0.6
161.04547	1.9
185.11832	1.3
190.03815	0.5
193.05191	0.6
201.05461	0.5
203.12883	7.2
204.13243	0.7
255.97134	0.6
321.09903	0.4
347.16995	1.0
365.18152	100.0
366.18494	9.0
366.22598	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1947
Annotation	6alpha,9-Difluoro-11beta-hydroxypregn-4-ene-3,20-dione
Peak:m/z	Relative Intensity
55.77926	0.3
57.03445	0.5
59.01374	0.3
66.39637	0.3
67.39709	0.3
67.82628	0.3
69.03457	0.4
69.78759	1.5
71.05012	0.3
76.72626	0.3
83.05033	0.5
87.04510	0.3
87.56793	0.3
95.05058	0.4
97.06597	2.5
109.06632	0.3
111.04511	0.9
121.06606	0.4
123.08184	3.5
125.08831	0.6
125.09736	11.8
126.10034	0.8
126.21141	0.3
126.68816	0.3
127.11293	0.9
141.09232	4.7
142.09682	0.5
155.10765	0.6
163.07410	0.7
165.08989	3.0
167.10588	1.1
171.10289	0.7
173.11839	11.2
174.12128	0.5
179.06885	1.2
181.08495	2.4
183.10072	0.9
191.06898	11.3
192.07370	0.5
193.08467	33.7
194.08827	2.0
195.06490	0.6
195.10037	7.3
196.10397	0.6
207.06435	0.5
209.07967	21.7
225.07472	1.1
235.09744	0.3
239.09048	2.9
249.60098	0.4
319.19592	0.3
365.19470	100.0
366.19809	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	365.197
Annotation	11-dehydro-TXB3
Peak:m/z	Relative Intensity
57.03464	0.5
59.01381	1.1
68.06486	0.5
69.03728	2.0
69.04150	2.1
71.01356	0.8
71.05032	0.6
72.77901	0.4
72.99315	1.2
83.05083	1.2
85.02941	1.1
85.06611	3.0
86.45750	0.5
87.04523	3.9
95.05031	1.7
97.06602	2.2
99.04541	0.8
101.06042	0.7
109.02956	0.9
109.06589	0.9
111.04517	9.6
113.06098	9.3
122.03739	1.7
125.02441	0.8
125.06071	0.6
125.09690	0.6
135.08173	0.7
137.09717	1.1
139.07687	1.4
141.05586	24.0
142.05949	0.9
145.10271	0.5
147.04561	0.5
147.08162	0.6
149.09766	0.6
153.09196	0.8
155.07155	0.5
157.06584	0.5
164.08391	0.5
177.05710	0.6
179.07120	2.7
181.08762	1.7
191.07178	0.9
192.07928	14.8
193.08533	2.1
195.06555	1.3
197.08315	0.5
207.06621	0.5
215.14444	2.0
231.13629	0.6
245.18910	0.5
251.13248	0.5
261.57291	0.4
277.14636	0.6
291.19623	0.6
321.13434	0.6
321.20718	1.0
343.44061	0.5
347.14737	0.9
347.18646	7.5
365.19684	100.0
366.20004	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	365.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70925	0.1
51.83459	0.1
69.85841	0.1
71.28206	0.2
73.02936	0.4
85.06594	0.3
87.04519	100.0
88.04847	2.0
90.59136	0.1
95.05039	0.2
97.06589	0.2
108.13499	0.1
111.04505	0.3
141.05544	0.4
151.65746	0.1
151.67166	0.1
163.11261	0.3
176.04875	0.2
191.07114	0.2
193.08594	0.3
204.04292	0.3
207.10268	0.4
209.08142	0.3
212.15759	0.1
219.06644	4.5
220.06989	0.4
223.21092	0.1
233.15480	0.8
234.09001	3.2
235.09523	0.3
248.06894	0.3
251.16406	0.2
277.14444	3.6
278.14868	0.3
291.19617	0.2
305.13959	0.2
315.68024	0.2
347.18726	0.4
365.16113	0.3
365.19687	7.0
366.20074	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1971
Annotation	11-dehydro-TXB3
Peak:m/z	Relative Intensity
55.01885	0.5
56.89878	0.4
57.03437	1.4
58.74111	0.4
59.01373	0.7
60.72109	0.4
68.99815	0.9
69.03447	0.7
71.01378	1.2
71.05012	2.2
71.28062	0.6
72.99297	2.1
78.18142	0.4
81.03484	0.4
83.05029	1.0
85.02957	2.2
85.06567	2.2
87.04533	4.1
95.01375	0.5
95.05029	2.8
95.65958	0.4
96.96054	0.6
97.02968	1.7
97.06592	3.0
99.08136	0.4
101.06072	0.5
105.87644	0.4
108.02177	0.8
109.02966	1.3
109.06595	1.6
111.04525	8.7
111.08141	0.4
113.02473	0.7
113.06098	8.7
115.04023	2.2
122.03771	0.7
122.50077	0.4
123.04524	1.1
123.08159	0.8
124.05280	0.5
125.02452	1.0
125.06099	0.9
127.07649	1.4
128.82779	0.4
135.08156	1.1
137.02493	1.1
139.03987	1.6
141.05588	27.3
142.05968	0.6
149.09714	1.4
151.07687	0.6
153.05656	0.6
153.09225	1.2
163.07677	0.9
163.11299	0.5
165.05612	1.0
165.09152	1.1
167.07172	0.5
169.08749	1.8
170.34895	0.5
176.93913	0.5
177.01877	0.5
177.05452	0.9
177.12814	0.8
179.07130	4.0
181.08733	4.3
183.06616	1.9
191.07253	0.7
192.07921	1.5
193.08678	3.0
194.05843	0.6
195.06631	4.1
207.06673	0.6
207.10287	1.0
209.08199	0.8
215.14441	0.6
220.07559	0.5
237.07774	0.8
259.13553	0.5
289.14487	0.8
297.07745	1.5
303.19617	1.5
315.69592	0.6
321.17279	0.9
321.20804	2.1
347.15094	0.5
347.18692	4.6
348.18973	0.8
365.16016	7.9
365.19739	100.0
366.16788	0.7
366.20084	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	365.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08717	5.9
63.68193	5.5
67.04903	5.9
100.36166	7.1
111.04502	32.8
116.92822	5.5
137.09740	7.8
323.87289	6.0
347.18457	8.9
354.44794	5.6
361.11163	6.8
365.19678	100.0
366.20093	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85394	0.2
52.82563	0.2
53.92498	0.2
58.71524	0.2
59.01387	0.2
68.66045	0.2
84.42068	0.2
96.95991	0.2
108.02171	0.7
108.04409	0.2
116.05075	4.2
120.89512	0.2
132.04532	0.4
138.94159	0.2
142.87634	0.2
152.01187	0.4
159.03304	0.3
160.04051	100.0
161.04401	4.1
204.03033	4.3
208.02478	0.3
285.06168	0.8
366.08304	13.4
367.08829	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
114.40757	1.1
120.04549	1.1
130.06599	1.2
132.04565	2.8
146.06108	4.9
148.07703	54.4
149.08025	3.1
161.53549	1.1
307.85461	1.1
366.24368	100.0
367.24744	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	367.0131
Annotation	Scensidin
Peak:m/z	Relative Intensity
55.47980	0.5
63.02399	1.1
65.00333	8.8
69.24571	2.6
83.01387	4.2
93.03481	0.5
98.21769	0.8
107.01397	18.4
108.01765	0.7
109.02969	1.2
125.02467	4.2
135.04533	73.5
136.04877	2.9
151.00378	100.0
152.00713	4.6
161.02460	0.7
177.01956	0.9
215.00215	1.2
269.04611	0.6
287.05627	51.2
288.05951	4.9
367.01288	44.6
368.01639	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	367.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07761	1.0
51.31826	1.0
54.00742	1.0
55.75528	1.2
59.01373	2.8
64.44233	1.1
66.76778	1.1
67.09128	1.0
67.43478	1.2
71.29211	1.1
79.95750	10.0
96.96030	8.5
121.02959	1.6
137.06087	1.8
149.02414	3.0
149.56546	1.4
181.05046	4.0
199.07651	2.3
227.07146	30.5
228.07381	2.0
240.04213	7.7
255.06648	100.0
256.06985	8.5
283.25369	1.4
287.09265	62.3
288.09647	4.8
360.65668	1.5
367.04907	72.5
367.17368	6.6
368.05188	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	367.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.5
59.01364	0.6
65.00314	0.4
65.83166	0.4
71.05016	1.0
71.42624	0.4
71.98183	0.4
79.01884	2.1
85.06588	1.7
87.04520	0.9
87.84359	0.3
89.14867	0.4
95.05019	4.7
97.02962	2.3
97.36992	0.4
103.84522	0.4
107.05032	0.7
109.06597	1.6
111.00909	0.6
111.04530	5.7
121.02972	1.1
121.06635	1.0
123.00893	1.4
123.08168	4.3
139.04021	7.5
141.09216	0.6
147.08179	4.5
149.02489	0.7
149.06108	0.4
150.06865	1.1
153.05594	0.6
163.07623	2.4
165.01912	1.5
165.09212	23.5
166.02705	0.7
166.09541	1.2
167.07217	0.4
173.06061	0.6
191.07121	8.4
192.07567	0.8
209.08197	100.0
210.08521	6.5
222.99246	1.1
225.04306	0.5
239.06117	0.9
247.02870	1.8
251.02333	0.6
262.01590	0.8
265.04010	2.0
273.00845	0.7
277.03946	0.9
281.07059	0.6
289.04059	1.6
307.05005	37.0
308.05371	2.5
321.02917	0.5
325.06155	0.8
367.07138	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0803
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02361	2.5
57.71246	2.5
59.01360	12.2
61.93003	2.3
61.98838	44.7
63.84998	2.4
69.09861	3.4
69.10181	21.5
71.01378	6.2
73.02942	4.2
78.98755	2.9
85.02938	8.4
93.83533	2.7
101.02442	9.0
113.02425	4.5
115.80222	2.8
120.45184	3.1
125.02447	2.6
160.51837	3.0
161.04504	4.7
221.10298	20.1
247.47058	3.0
299.81357	2.9
303.19702	3.3
367.21246	100.0
368.21628	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	367.1036
Annotation	Phellodenol H
Peak:m/z	Relative Intensity
51.64751	0.9
59.01382	16.9
63.65592	0.8
67.01882	3.4
69.55733	4.2
71.01360	4.1
73.01170	3.7
73.02957	1.0
77.03948	1.7
79.01903	1.2
79.05514	1.1
81.03457	2.7
83.01400	1.8
85.02946	7.7
85.70480	1.1
87.00882	4.2
89.02444	1.7
93.03475	17.5
94.03769	0.9
95.05019	2.3
97.02958	1.9
101.02462	1.5
102.06997	0.9
109.06608	5.8
111.00858	1.9
111.04534	2.8
113.02450	1.2
119.05051	1.6
121.02950	2.8
123.04546	7.8
134.03732	7.3
137.34200	0.9
143.03545	0.9
147.08121	1.2
149.02452	1.8
149.09743	2.6
150.02122	1.0
151.07660	16.2
152.08105	1.5
159.04526	1.2
160.05363	1.3
161.02438	1.7
163.04028	5.6
173.04588	8.3
175.04054	2.4
175.07640	2.0
177.05537	2.7
191.03757	2.2
191.05620	54.6
192.05896	1.8
193.05023	2.8
193.08699	11.4
195.30357	0.9
204.04269	19.3
205.04987	2.7
205.08820	1.3
219.06631	75.7
220.06993	5.8
229.05023	3.1
235.09744	3.9
247.06122	100.0
248.06505	7.2
259.06100	3.5
263.09244	4.7
277.07242	2.6
305.10339	1.5
323.08154	0.9
323.11359	28.0
324.11783	3.1
367.10339	51.5
367.14316	4.9
368.10571	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1035
Annotation	Phellodenol H
Peak:m/z	Relative Intensity
52.66694	0.5
55.42157	0.6
55.73707	0.6
59.01096	0.9
59.01381	16.5
61.58114	0.7
62.98488	0.7
71.01388	4.3
72.45067	0.6
73.02950	1.2
77.03963	0.9
79.01892	0.8
85.02955	12.7
87.00866	0.6
89.02445	2.6
93.03469	1.2
95.05022	1.2
97.02951	2.0
99.04508	2.3
101.02436	2.3
106.11925	0.6
113.02455	2.1
119.03523	0.9
119.05022	2.7
125.02434	0.7
133.06592	2.3
135.04492	0.6
147.04553	0.6
160.05312	1.2
161.02431	0.8
161.04483	1.5
161.05968	0.8
163.00381	1.0
163.04028	1.7
175.04015	1.3
175.07654	3.8
191.05618	8.0
191.07175	1.2
197.92886	0.6
203.03485	2.9
203.07211	0.7
204.04272	22.5
204.07840	3.1
205.05052	5.4
205.08818	0.8
215.07095	1.1
216.04263	1.0
217.05013	5.9
218.05795	1.5
219.06624	64.7
220.06979	4.5
229.05060	2.1
231.06657	6.4
241.18481	0.6
245.04532	1.4
247.06114	100.0
248.06473	8.1
250.04741	2.8
259.03406	0.8
259.06122	11.7
275.05624	1.0
277.07181	24.8
278.07477	2.0
289.07291	1.8
301.07047	0.7
307.17551	1.1
309.42996	0.7
319.08304	0.6
367.10336	46.5
367.17850	1.5
368.10803	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55187	0.9
55.01882	5.2
57.03460	5.4
58.00578	3.4
59.01384	68.2
64.11876	0.8
71.01388	71.2
72.19662	0.9
72.99303	4.0
73.02956	28.6
75.00890	1.3
83.01397	16.0
84.39032	0.9
85.02956	33.3
86.03311	1.4
87.00874	4.1
89.02451	31.8
95.01413	3.6
97.02933	2.8
99.00893	10.1
101.02451	73.9
102.02783	1.5
111.00901	2.8
113.02454	26.1
115.04028	0.9
119.03511	4.8
125.02458	4.6
129.01967	2.5
131.03510	21.0
143.03526	5.0
149.04562	6.0
159.03030	5.1
161.04562	25.1
233.06700	3.1
235.11873	100.0
236.12242	6.1
236.14233	1.1
367.16101	62.8
368.16199	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	6.6
57.03426	3.0
58.00595	2.1
59.01382	33.4
69.03452	1.1
69.07292	4.3
69.07705	2.4
71.01386	48.4
72.99296	2.2
73.02950	26.4
80.79284	0.8
83.01388	11.8
84.02176	1.1
84.14314	0.8
85.02954	23.8
86.00105	0.8
87.00875	2.7
89.02453	10.6
95.01384	2.6
97.02934	1.6
97.79760	1.0
99.00888	9.8
99.04484	0.8
100.36629	0.9
101.02448	59.7
111.92148	0.8
113.02455	16.7
115.04008	1.7
125.02450	3.6
129.01941	1.5
131.03510	2.5
134.03763	1.2
143.03473	2.2
152.45325	0.8
159.02989	4.4
161.04568	20.1
162.04913	0.9
165.39413	0.9
170.09052	0.7
191.05608	1.2
193.04953	1.3
205.14458	0.9
211.93314	0.8
233.06685	2.7
235.11877	100.0
236.12270	4.7
279.10822	0.9
367.16104	51.9
368.16434	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	367.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	4.3
57.03445	2.4
58.00587	2.0
59.01381	36.2
69.03455	1.0
69.22179	2.6
71.01385	40.5
72.01717	0.5
72.99309	2.0
73.02950	19.7
75.00880	1.1
83.01394	14.5
85.02955	22.5
86.00123	0.9
86.03278	0.6
87.00882	2.6
89.02446	8.5
95.01397	3.1
97.02972	1.4
98.21811	0.8
99.00881	7.5
101.02448	48.9
102.02745	0.7
103.04012	1.7
111.00889	1.2
111.04580	0.6
113.02455	18.2
114.02760	0.5
119.03541	2.7
125.02458	1.6
125.06165	0.4
129.01941	1.4
131.03563	0.6
142.42380	0.5
143.03503	2.8
145.05083	0.7
159.03020	3.6
161.04570	20.2
162.04845	0.8
163.06151	0.8
195.06689	0.6
221.10312	100.0
222.10646	5.7
247.08134	0.6
265.09256	0.7
272.96191	0.9
274.95920	0.9
328.98944	0.6
330.98648	1.3
367.16068	21.0
367.19742	0.9
368.16602	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1799
Annotation	Nitropyrrolin C
Peak:m/z	Relative Intensity
56.05687	0.2
56.86062	0.2
62.32967	0.3
69.72947	0.9
79.95753	1.6
96.96018	100.0
97.95937	0.3
119.94795	0.2
129.66364	0.2
135.04510	2.0
151.04015	0.6
160.85381	0.3
204.43494	0.2
215.00249	0.6
251.40050	0.2
269.21313	0.6
287.22293	13.5
288.22610	1.4
367.05011	0.9
367.17957	60.2
368.18289	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	367.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58611	0.9
54.25677	1.1
55.01886	5.4
56.70302	1.0
57.03439	3.3
58.00580	4.1
59.01382	100.0
60.01679	1.1
69.30218	6.2
69.40661	1.0
71.01388	75.8
71.05036	1.1
72.14022	0.9
72.99305	5.5
73.02950	16.0
73.09624	1.0
73.57911	1.0
83.01395	7.0
85.02959	22.3
87.00864	4.6
89.02450	66.1
93.07083	2.8
95.01402	7.0
99.00875	5.2
101.02448	59.5
103.04008	1.1
113.02455	32.7
117.05637	1.4
119.03512	30.3
125.02433	1.2
131.03488	4.8
138.41768	1.2
143.03508	7.0
143.10818	1.3
149.04544	2.8
159.02963	4.5
159.10268	3.7
161.04565	23.7
173.11826	1.9
179.05611	16.7
193.04997	1.6
205.14464	27.1
217.01665	1.2
235.11885	7.2
323.07794	1.8
367.19748	55.0
368.20096	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00586	0.6
59.01384	100.0
60.01723	1.6
63.79967	0.6
67.27450	0.6
67.60320	0.6
68.98624	6.5
71.01390	8.0
73.02955	1.9
82.66887	0.7
82.74157	0.7
85.02955	3.5
87.00880	1.3
89.02455	8.8
93.03459	1.0
99.00923	0.7
101.02441	6.7
102.92979	0.7
106.48947	0.7
113.02472	3.4
119.03491	3.5
120.83474	0.6
121.94817	0.8
122.87598	0.7
157.99294	0.7
161.04626	2.6
191.05687	2.9
201.12474	0.7
205.05049	0.9
250.11078	0.7
257.30878	0.7
307.17694	6.7
308.18198	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74649	0.9
56.08864	1.0
61.98833	100.0
64.85528	0.8
68.09615	1.1
69.75064	2.5
69.75475	2.3
84.06191	0.9
96.04229	0.9
125.02429	1.1
179.03439	1.0
305.06543	1.7
350.99585	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0625
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47535	0.8
58.96801	0.9
61.98835	100.0
72.65543	1.0
125.02461	3.5
165.01945	1.4
167.03514	1.7
179.03519	1.3
189.62978	1.0
286.06442	1.0
305.06842	4.8
308.36710	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26928	0.4
59.04515	0.4
64.49673	0.5
70.57270	1.0
70.57585	0.5
85.64138	0.4
133.78183	0.4
178.27776	0.5
215.06978	0.6
239.07166	0.9
241.05104	0.8
241.08731	0.6
255.06641	3.6
255.10246	0.9
256.07349	2.9
266.05832	0.5
267.06573	1.7
269.08258	3.6
270.08871	2.0
281.08313	2.3
283.06104	2.8
284.06839	4.4
297.07758	5.1
298.08444	3.0
299.09274	4.7
309.11273	0.6
311.05618	2.1
311.08942	0.7
311.16525	0.9
312.06354	0.8
321.07657	1.0
325.07178	1.2
325.10825	4.7
325.14603	1.3
326.11563	5.2
336.09998	0.6
339.08807	1.1
351.12366	2.4
351.29105	0.7
353.10391	2.0
354.11105	3.7
369.13443	100.0
370.13788	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	369.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86546	0.6
66.35647	0.6
69.11681	4.4
83.12042	0.6
89.97663	0.7
90.42326	0.6
91.00585	0.5
98.22499	0.9
100.50866	0.6
110.94170	0.6
131.01660	0.7
156.51909	0.5
200.28580	0.5
221.11897	2.3
221.80385	0.6
226.06276	0.9
241.05145	3.3
241.08676	1.9
242.05807	2.4
256.07443	2.1
265.13785	0.7
267.03033	1.3
267.06531	0.6
268.03549	0.8
269.04565	1.9
270.05386	3.3
284.06918	2.2
285.07721	9.1
295.02600	1.0
296.03345	1.5
311.05722	6.1
312.05991	0.6
325.10913	8.2
325.14478	1.1
326.11505	4.9
327.11682	0.8
335.09872	0.7
339.08704	0.9
351.12360	1.8
353.10141	2.4
354.10968	3.1
369.13446	100.0
369.23468	3.9
370.13754	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	369.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55552	0.5
53.76281	0.5
71.38006	0.5
146.62808	0.5
155.34663	0.5
181.39725	0.5
229.00232	0.7
255.06552	3.2
256.07339	2.6
270.08835	2.7
271.09430	0.7
281.04352	0.5
282.05344	1.0
283.06061	2.1
284.06940	3.8
293.08255	0.8
298.08459	2.5
299.09177	4.1
300.09628	0.6
307.09839	3.3
308.10513	3.5
310.04752	1.7
311.05624	12.6
312.06281	3.4
321.07672	2.7
321.43011	0.6
325.07172	6.1
325.10724	0.9
325.14261	0.7
326.11432	1.3
335.09229	2.2
336.10092	3.8
351.12341	21.0
352.12735	2.6
353.10422	1.2
354.11072	2.9
369.13428	100.0
370.13751	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1345
Annotation	LMPK12070002
Peak:m/z	Relative Intensity
55.10023	0.4
56.76990	0.4
60.46567	0.4
95.34656	0.5
110.39393	0.4
111.04514	0.6
175.37247	0.4
191.01747	0.4
211.07632	1.8
211.65581	0.4
213.05624	0.6
225.09267	1.1
227.07199	3.3
239.07050	0.5
241.05049	1.0
241.08646	0.9
242.09406	0.5
255.02800	0.6
255.06645	5.0
256.03647	0.5
256.07053	0.8
265.84088	0.4
267.06555	0.8
269.04504	0.8
269.08380	0.5
270.08984	8.8
271.06152	0.8
271.09177	0.6
283.06067	3.3
283.09210	0.8
284.06790	1.6
286.08511	1.5
287.05411	0.7
297.04282	0.5
297.07773	0.8
298.05261	0.8
298.08365	3.6
299.09180	1.1
302.08011	0.6
311.05624	7.4
311.09378	2.6
312.06088	1.3
326.07898	3.2
326.11441	1.0
335.09280	0.5
336.10190	0.5
339.08801	4.5
340.08948	0.7
351.12354	2.1
353.10159	1.2
354.11078	5.6
355.11508	0.5
369.13440	100.0
370.13736	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	369.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39459	1.5
56.33255	1.7
57.03432	1.5
58.00583	2.8
59.01381	100.0
66.33009	1.4
71.01387	51.4
71.28887	1.5
72.99297	4.9
73.02927	2.5
80.93260	1.3
83.01390	2.9
85.02950	8.9
87.00860	3.2
89.02448	73.8
95.01383	4.2
101.02449	33.3
113.02464	22.7
117.32979	1.5
119.03500	30.3
125.02454	1.9
143.03514	3.1
148.05327	10.7
149.06090	98.9
150.06393	5.0
161.04688	1.5
164.24142	1.4
169.01399	2.7
185.38962	1.6
189.09209	2.5
207.10345	6.4
211.02470	2.2
219.62009	1.4
241.03502	3.3
293.06818	2.6
336.01349	1.4
369.15643	12.4
369.23047	2.5
370.16034	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	369.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16395	0.5
52.88980	0.5
53.97122	0.6
68.99808	0.6
71.28219	0.7
71.28617	0.6
79.05526	4.1
81.03455	9.6
91.75200	0.6
93.43954	0.6
95.68584	0.6
96.96041	0.7
101.06085	9.3
101.15682	0.6
109.03008	0.7
112.31190	0.5
123.04535	100.0
124.04890	4.2
137.63103	0.6
139.11282	7.7
147.04518	2.6
149.02434	0.7
163.07634	1.7
163.11296	7.8
164.11577	0.7
165.05533	2.9
165.09248	0.7
189.05603	1.0
191.03552	3.0
205.05038	2.8
206.05894	2.1
207.06717	13.7
207.10274	58.1
208.07013	1.0
208.10722	4.9
219.47243	0.6
231.10214	1.8
319.25101	0.6
369.11945	14.0
370.12186	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1921
Annotation	CHEBI:66791
Peak:m/z	Relative Intensity
57.03452	6.8
59.01355	0.7
59.55270	0.6
63.44251	0.6
66.41122	0.6
68.37560	0.6
69.03449	2.2
70.77251	0.6
71.01385	0.9
71.04990	1.7
71.28066	0.8
77.14442	0.7
78.60477	0.6
80.02690	1.2
80.30254	0.6
83.01386	1.0
83.05032	2.6
87.82813	0.6
95.05051	1.3
97.06591	17.6
99.08148	0.9
109.06610	0.9
110.68598	0.7
111.08168	5.7
122.86109	0.7
123.04556	0.8
123.08179	11.3
125.09729	100.0
126.10080	4.1
127.07649	2.0
137.02463	1.0
137.09750	1.1
143.10780	0.8
145.08714	4.6
151.11317	0.7
153.12926	0.9
155.10765	1.4
159.10254	2.3
169.08655	3.8
173.11813	1.2
183.10251	3.9
187.09752	10.7
197.11824	18.8
198.12244	0.9
213.11287	0.9
255.16515	0.7
307.18961	0.7
325.07117	0.9
325.20242	16.2
326.20532	1.9
351.18085	2.5
367.29980	1.7
369.19144	56.1
369.22708	2.5
370.09155	2.7
370.19476	6.2
394.97177	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2438
Annotation	19-Furan-2-yl-nonadeca-5,7-diynoic acid methyl ester
Peak:m/z	Relative Intensity
59.01386	1.4
68.98337	1.2
71.30259	1.4
101.69034	1.2
118.27505	1.2
133.10251	2.8
147.08157	1.4
149.09709	1.1
155.17807	1.1
160.42712	1.1
161.09663	1.6
163.11299	100.0
164.11598	5.8
178.04311	1.1
179.09337	2.1
179.10788	22.9
179.12241	2.1
180.11234	1.5
187.11217	1.5
193.12334	24.4
194.12653	1.7
279.13919	1.4
309.22263	1.6
337.21674	11.3
338.22049	1.1
360.18115	1.1
369.24374	76.1
369.31244	2.0
370.20044	1.6
370.24567	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	369.2433
Annotation	3-Oxochola-4,6-dien-24-oic Acid
Peak:m/z	Relative Intensity
53.98705	0.3
70.27558	0.5
76.47153	0.3
83.05017	0.3
83.19656	0.3
85.18858	0.3
96.26345	0.3
98.22727	0.5
109.92821	0.3
149.23373	0.3
166.06348	0.9
177.12860	4.3
191.07019	0.4
206.09477	2.6
221.11833	59.7
222.12148	4.6
230.16383	0.3
235.13586	0.3
267.17526	1.3
268.13184	0.4
311.16595	4.1
312.16776	0.5
323.24203	0.3
369.24347	100.0
370.24683	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	369.3013
Annotation	Docosanedioate
Peak:m/z	Relative Intensity
55.55395	0.6
57.03443	0.8
62.47291	0.6
62.95269	0.6
63.52406	0.6
70.77552	1.3
187.25284	0.6
208.12115	0.8
248.06810	0.9
279.27045	1.0
283.57578	0.7
294.08374	0.7
305.28592	1.4
307.30072	66.8
308.30374	8.6
325.30966	1.4
351.29056	20.8
352.29434	2.8
354.10098	0.7
369.13593	4.9
369.20880	4.0
369.30099	100.0
370.13916	0.8
370.20969	1.0
370.30453	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	369.3375
Annotation	2-Hydroxytricosanoic acid
Peak:m/z	Relative Intensity
50.54760	0.8
53.20825	0.8
57.08370	0.9
70.83884	1.8
86.26483	1.1
122.82785	0.9
128.31699	1.0
295.30038	1.2
321.31647	3.2
323.33218	59.5
324.33600	7.6
351.32697	1.7
369.33762	100.0
370.34048	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	371.0322
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	10.8
70.79971	1.3
71.01390	4.9
72.99310	2.0
81.03452	1.0
83.80717	0.8
87.00864	3.3
93.03493	0.8
99.03049	2.3
99.04543	0.8
101.00956	17.6
102.01057	0.9
113.00946	3.7
113.02380	0.8
113.18015	0.8
115.02518	9.4
117.00471	1.5
121.02969	1.4
123.04513	1.0
125.00949	6.8
125.02417	1.7
126.98892	14.0
127.02522	5.2
127.99015	0.9
129.00468	1.5
131.01990	3.8
137.02545	0.8
141.00443	1.8
141.04068	4.0
143.02011	100.0
144.02144	7.2
149.06042	1.6
151.03993	1.0
153.00465	2.0
155.02005	11.9
156.99950	4.3
157.03558	17.5
158.03697	1.9
159.01494	10.1
160.01628	1.0
164.04773	0.8
165.05655	1.0
167.03500	3.2
168.99936	39.6
170.00087	2.9
171.01500	15.8
172.01674	1.5
173.03067	3.1
173.04428	1.2
173.40088	0.8
179.03491	1.7
185.03069	12.8
191.05629	1.9
193.05080	2.5
194.05843	1.2
196.99432	17.4
197.99538	1.8
208.07338	0.9
209.08208	2.6
213.07648	1.6
229.01999	6.3
235.06180	1.0
242.96718	1.1
243.02126	1.4
250.33278	0.9
259.01666	2.1
284.97800	5.7
285.03091	2.8
297.03217	1.3
299.04739	40.0
300.04935	6.1
302.94882	0.9
311.01056	1.3
313.02777	1.4
327.04227	13.1
327.42075	0.7
328.04428	2.9
329.02139	9.6
329.47305	0.9
330.02429	1.6
339.00598	19.2
340.00635	2.7
357.01575	2.2
361.07620	0.9
370.98538	1.1
371.02612	4.2
371.10062	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	371.0774
Annotation	Melisimplin
Peak:m/z	Relative Intensity
52.49174	2.1
53.23489	1.9
59.01367	4.6
61.98811	4.6
71.28990	2.5
80.21611	1.8
97.06558	2.9
125.09703	6.1
128.97215	2.1
129.92973	1.9
182.03761	2.7
198.03273	13.2
213.05544	4.3
226.02750	17.9
241.05017	6.9
242.02213	8.5
244.56987	2.4
254.02086	3.3
257.04578	21.6
269.04526	8.3
270.01782	13.9
285.04044	45.7
286.04568	2.4
297.03967	2.9
298.01254	3.8
313.03577	33.4
314.03818	2.9
327.05106	3.3
327.08762	3.1
341.03049	100.0
342.03427	9.5
353.16272	2.7
355.04657	4.5
356.05377	79.0
357.05771	8.7
371.07678	89.8
371.24469	8.2
372.07925	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0986
Annotation	Cycloshermilamine D
Peak:m/z	Relative Intensity
50.44888	0.7
53.30861	0.8
55.01865	1.2
57.03429	3.1
59.01386	16.1
68.99834	1.5
71.01388	14.8
72.99325	6.7
73.02947	2.2
75.00875	17.9
75.07454	0.7
83.01379	0.9
85.02956	22.0
87.00877	7.7
89.02450	4.2
95.01403	6.0
96.87679	0.7
99.00890	10.8
101.02448	1.3
103.00368	3.2
110.65993	0.8
111.00921	1.0
113.02462	24.9
114.02787	1.3
115.00391	2.0
117.01946	2.9
118.95730	0.8
121.02969	100.0
122.03300	2.9
129.01935	2.3
153.83562	0.8
157.01456	1.1
163.65079	0.9
175.02480	3.6
193.03545	1.3
208.67233	0.9
208.91068	0.8
231.05063	3.9
249.06151	24.0
250.06380	1.2
267.62137	0.7
311.07742	0.9
331.54541	0.8
353.08911	1.5
371.09830	54.7
372.10251	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	371.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.7
55.89008	0.6
57.03445	2.8
58.00585	0.7
59.01383	17.0
67.01902	0.7
68.99824	2.6
69.03447	1.8
69.21304	4.3
71.01381	17.9
72.99314	6.4
73.02935	1.4
75.00877	19.7
81.03465	1.6
81.20251	0.6
85.02956	21.3
86.03304	0.7
87.00883	6.7
89.02455	4.6
93.03448	1.5
95.01377	5.7
99.00887	9.8
103.00383	2.7
109.02985	0.7
111.00881	0.8
111.04550	1.0
113.02457	25.4
115.00380	2.8
115.04028	0.8
117.01955	3.7
121.02961	100.0
122.03308	4.1
129.01944	2.1
155.18373	0.7
157.01448	1.2
175.02470	2.9
231.05057	6.7
246.56967	0.6
249.06154	77.3
250.06516	2.5
353.08878	1.0
371.09833	40.2
372.10095	1.7
388.46698	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.8
57.03453	3.5
59.01377	0.9
59.23122	0.6
59.52895	0.6
65.11111	0.6
66.90306	0.5
69.03434	1.1
69.17104	3.1
69.17532	1.9
71.01371	1.0
71.05031	1.1
81.03460	16.5
83.01411	2.9
87.00878	1.0
95.05038	6.4
97.02959	5.0
98.22521	0.7
99.04528	14.5
109.02956	0.7
111.04514	1.8
113.02446	0.9
123.04546	6.4
125.02456	37.5
126.02820	0.7
135.04478	0.6
137.02449	6.8
139.03995	5.1
145.51682	0.6
148.42845	0.6
150.03279	0.8
151.04007	2.0
164.01118	0.6
165.05608	0.7
167.03505	100.0
168.03882	3.5
179.03497	7.6
193.05046	6.7
194.05827	2.5
197.04572	23.1
198.04907	1.1
208.07425	1.5
209.04640	1.5
209.08186	6.7
221.04445	0.7
241.92111	0.6
251.05617	19.9
252.05980	1.7
269.06717	1.0
281.06647	5.2
287.07748	7.6
371.09824	13.4
372.10361	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77139	0.7
55.01879	1.1
57.03442	2.8
59.01387	18.7
69.03442	1.1
69.69188	3.3
69.69556	1.7
71.01388	14.5
72.99311	6.0
73.02947	2.8
75.00880	18.4
83.01405	0.9
85.02955	21.9
87.00896	7.6
89.02449	4.6
95.01401	5.1
98.22473	0.8
99.00892	10.2
101.02412	1.1
103.00375	3.8
111.00843	1.5
113.02462	31.7
115.00364	1.8
117.01939	3.2
121.02967	100.0
122.03323	4.4
129.01955	2.3
129.51756	0.9
131.03510	1.2
175.02446	4.2
184.62222	0.8
191.98709	0.8
193.03564	1.5
231.05116	4.9
249.06187	26.3
250.06572	1.3
342.03564	0.9
353.09027	1.6
371.09836	56.1
372.10165	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	371.1139
Annotation	5,6,2',3',4'-Pentamethoxyflavone
Peak:m/z	Relative Intensity
56.98579	1.5
59.01371	2.5
71.29742	1.5
75.63389	1.4
83.05043	2.0
96.96031	2.5
108.02209	1.4
111.08192	4.1
137.02397	1.8
149.02422	2.3
149.42915	1.5
172.78745	1.8
177.01929	5.6
177.07826	1.6
178.02704	6.6
179.03503	2.3
192.04311	4.5
193.04971	2.1
197.16995	1.4
215.07214	2.0
241.05116	1.9
241.08727	4.0
254.05977	2.5
257.08188	11.0
257.41617	1.6
269.08286	7.7
282.05325	3.0
283.02808	1.6
283.05994	2.8
285.07718	34.5
286.07986	4.1
287.08945	2.1
288.09756	1.9
291.12408	5.4
295.05740	3.0
297.04129	3.3
297.07477	1.9
299.09396	1.8
312.06497	2.1
313.07269	25.5
314.07620	2.0
327.12366	1.8
327.25708	1.8
328.09598	5.1
329.09503	1.6
341.06683	21.1
342.06976	2.2
356.04453	2.6
356.09021	95.0
357.09415	9.3
371.11404	100.0
371.24710	5.8
372.11658	10.3
372.18283	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	371.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06847	1.9
52.20006	1.8
59.01379	3.8
63.89328	2.0
69.39910	4.0
69.40329	7.5
78.96689	1.7
81.03496	2.8
95.05053	2.4
97.02991	2.3
97.06595	3.1
99.00911	2.0
109.02956	66.0
110.03293	2.7
121.02959	6.9
125.09741	7.4
136.01674	24.3
136.92598	1.7
145.02968	5.5
149.02457	3.9
151.04013	34.6
159.04517	13.5
160.05315	57.1
161.02463	2.1
161.05634	3.6
164.04794	5.4
165.09222	8.2
175.07657	25.2
176.04883	2.4
187.09749	13.2
203.16599	2.1
209.08195	21.7
211.07654	4.9
221.06105	2.7
222.06754	2.9
233.08157	4.4
239.07152	19.0
249.05605	5.5
250.06334	7.2
266.05869	4.7
267.06638	100.0
268.07001	5.8
282.08987	72.6
283.09390	7.5
295.78928	2.3
297.11340	76.5
298.11679	8.5
301.18103	2.1
312.10086	11.5
327.12378	77.4
328.12793	8.1
369.15280	2.5
371.11328	8.8
371.24872	3.0
372.18216	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	371.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01114	14.8
59.01384	37.3
69.03461	13.8
71.01374	62.3
71.26959	14.2
71.83204	11.8
73.97145	11.6
85.02936	40.4
87.00870	34.5
89.73184	12.7
101.02435	38.2
113.02451	15.4
118.11085	13.5
126.98838	13.5
153.30644	12.3
156.88425	13.4
165.03996	17.1
173.55225	12.7
191.05621	100.0
206.95583	12.9
273.04568	13.8
311.00214	14.3
355.61481	13.0
371.07892	17.0
371.12521	99.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.7
57.03441	3.0
57.29724	1.4
58.00615	1.8
59.01381	22.7
61.53576	1.3
68.99817	2.9
69.23908	7.2
71.01386	29.3
72.99307	2.3
73.02953	7.5
75.00872	9.9
83.01383	5.9
84.92136	1.2
85.02961	17.2
87.00871	4.9
89.02416	6.4
93.03462	27.8
95.01395	4.6
97.02957	1.4
99.00891	4.7
101.02445	15.2
108.02200	2.5
109.02979	3.7
109.66470	1.3
113.02460	15.9
117.05572	2.6
120.99680	1.6
121.02967	34.1
122.03283	1.4
123.04585	3.2
125.02480	2.6
126.44350	1.5
135.04512	2.0
136.01665	3.5
136.08498	1.4
137.02449	77.7
138.02878	2.9
139.03998	2.3
153.01921	2.2
161.04642	2.7
165.05588	1.5
166.02768	3.9
167.05069	1.5
169.01418	1.4
175.04002	1.4
181.05101	10.6
209.04619	4.5
209.08195	4.0
219.12212	1.5
221.04631	2.3
231.05208	2.3
249.06139	23.9
281.06769	1.6
289.07230	7.9
350.66263	1.3
371.09641	11.7
371.13559	100.0
371.37143	1.3
372.14142	9.8
382.96057	1.4
383.54477	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46495	0.8
53.33939	0.9
54.99529	1.0
55.01868	2.2
59.01102	1.2
59.01382	14.8
63.57095	0.9
68.99816	1.4
69.16640	5.0
69.17039	1.5
71.01391	21.0
72.99289	1.5
73.02946	7.6
74.20859	0.7
75.00877	1.8
78.95897	0.8
83.01396	4.8
83.05079	1.9
85.02956	11.6
87.00874	1.9
87.04532	2.3
89.02438	3.8
93.03468	27.7
95.01376	3.0
99.00890	2.5
101.02454	14.7
108.02174	2.0
109.02975	1.0
110.56495	0.7
113.02465	9.1
121.02969	5.7
123.00928	0.9
136.01649	2.3
137.02455	77.8
138.02789	2.5
139.04027	5.4
147.04517	1.0
161.04520	2.0
163.07698	1.1
191.07164	2.1
207.06631	2.5
208.07384	3.3
209.08199	11.7
221.04634	1.4
232.17114	0.8
241.95300	0.9
249.06107	3.5
272.68829	1.0
281.06885	1.9
371.13477	100.0
371.21741	3.8
372.13806	9.9
386.98068	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85270	2.0
55.15950	2.4
57.03440	4.4
59.01395	3.7
71.01396	9.0
71.27358	2.8
71.27769	3.0
73.02972	2.1
81.03484	4.2
83.01406	6.1
85.02961	4.8
87.00872	16.7
87.42767	2.2
95.05032	3.8
97.02972	3.0
99.00878	2.9
99.04529	4.3
99.92835	2.1
101.02430	4.1
107.05044	2.2
109.02968	9.4
109.03638	2.3
113.02475	4.2
121.02980	4.9
123.00921	2.6
123.04555	7.0
125.02462	31.5
131.04999	3.1
137.02455	27.8
139.04085	3.1
149.02489	2.4
150.03267	14.4
151.04005	10.3
153.05658	2.9
161.02411	4.9
163.04079	2.5
165.01892	3.1
165.05583	11.4
167.03499	29.1
169.01387	3.3
172.07039	2.0
175.03981	4.0
177.01976	6.3
178.02724	12.0
179.03514	60.5
191.03688	2.2
193.05074	95.4
194.05818	45.8
197.04581	5.1
203.03732	2.6
208.07417	24.6
209.04562	9.7
209.08194	100.0
210.08546	6.7
217.01524	3.6
243.03017	6.1
251.05705	4.1
289.07138	11.1
311.05249	2.6
325.03375	3.2
371.04779	4.6
371.09885	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	371.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.1
57.03449	0.4
59.01379	2.1
71.01391	0.9
71.05026	8.5
77.02910	0.3
77.54058	0.3
79.01916	1.9
81.73798	0.3
85.06602	1.2
87.04523	10.0
93.03466	0.5
95.05034	4.0
97.02962	10.1
97.03596	0.5
98.03317	0.4
107.05048	0.5
109.02952	0.9
109.06610	2.0
111.04530	3.7
113.02448	0.4
114.84818	0.4
119.05016	0.4
121.02979	1.4
121.06627	0.4
123.08148	2.2
125.02470	0.7
130.08769	0.4
135.04546	0.7
137.02457	0.6
137.06104	0.5
138.03259	1.1
139.04028	100.0
140.04364	4.0
141.09219	0.9
144.63855	0.3
147.08200	1.0
149.06116	0.4
150.06845	0.6
151.04021	0.6
153.05603	1.5
161.06119	0.5
163.04024	6.6
163.07677	1.0
165.01968	0.9
165.09225	16.9
166.02766	0.6
166.09543	1.4
177.05615	0.6
178.02792	0.7
181.05144	1.0
182.03743	0.3
191.07132	1.7
193.05080	1.6
204.91495	0.3
205.04997	2.2
209.08205	88.2
210.08540	5.1
212.17433	0.3
223.06107	0.4
263.97592	0.3
265.07028	0.5
283.08252	5.5
284.04611	0.4
312.15005	0.3
337.24417	0.4
371.13486	4.6
372.20352	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44440	0.2
57.03449	0.4
57.92255	0.2
59.01366	0.4
65.00328	0.6
65.77036	0.2
69.16846	0.5
69.17253	0.9
72.93114	0.2
81.03467	5.1
83.01397	0.8
95.05038	0.6
99.08163	1.4
101.06081	0.5
107.01382	0.5
108.02185	0.3
109.02980	0.4
121.02950	0.5
122.03806	0.3
123.04515	0.8
123.08191	2.7
124.01640	0.3
125.02461	6.1
125.05231	0.5
125.06087	5.1
136.01662	0.6
136.05289	0.9
137.02499	0.3
141.09209	0.7
147.08170	0.9
149.02461	0.5
151.00348	1.2
151.04034	0.9
152.01178	0.3
165.09218	24.8
166.09641	1.2
167.03505	1.5
167.07184	0.4
179.10791	0.5
191.07169	1.9
198.40739	0.3
209.08203	100.0
210.08539	6.1
221.08098	0.5
232.93109	0.3
233.08221	0.7
251.09267	6.6
252.09433	0.4
259.17160	0.3
281.10306	1.1
301.46347	0.3
307.19583	0.3
371.13644	0.9
371.24509	0.7
372.14011	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.0
59.01374	0.9
64.75442	0.3
65.00326	1.2
81.03464	5.7
83.01385	1.6
85.02994	0.4
86.72941	0.3
89.91002	0.3
93.03471	0.3
96.36642	0.2
97.06608	0.3
99.08204	0.6
101.06091	0.6
107.01393	1.3
108.02198	0.8
108.25675	0.3
109.02969	2.4
121.02950	1.5
122.03755	2.3
123.04543	1.9
123.08168	2.5
124.01653	0.3
125.01539	0.4
125.02461	8.6
125.06101	4.7
131.97302	0.3
132.02159	1.3
135.04565	0.8
136.01700	1.2
137.02414	0.8
139.03989	0.4
141.09222	0.4
149.02486	1.0
151.00365	2.0
151.04037	2.2
152.04414	0.3
160.01669	3.6
161.02347	0.3
165.09218	29.2
166.02870	0.3
166.06366	0.7
166.09544	1.8
167.03499	0.9
167.07199	0.4
175.03996	0.4
185.06110	0.3
190.83226	0.3
191.07155	1.3
197.06082	1.1
205.08755	0.3
209.08206	100.0
210.08548	6.0
211.03932	1.1
211.07567	0.6
214.00970	0.3
218.09489	0.5
223.07639	0.5
225.05721	0.5
226.06409	0.5
226.09949	0.3
233.08203	0.6
237.05476	0.3
239.03539	0.3
242.09488	4.7
243.09818	0.5
245.08226	1.2
246.08960	2.3
251.07008	0.4
251.09357	0.9
253.05080	0.4
253.08702	0.9
254.09485	0.3
257.11917	3.2
267.06628	0.4
269.08295	0.5
269.11880	0.7
270.09006	5.2
271.09238	0.3
273.07693	0.3
280.07382	0.4
281.04575	1.8
281.07864	0.6
282.05826	0.4
282.08963	2.5
283.09729	1.1
285.08029	0.4
285.11353	5.5
286.11658	0.6
295.09763	1.0
296.06949	0.5
297.07629	1.2
298.08456	4.9
299.08865	0.4
302.08069	0.4
308.06894	0.3
309.07596	0.8
310.08575	2.3
311.09253	2.8
312.09885	0.4
313.10828	3.3
314.11130	0.4
323.09241	1.7
324.09943	1.4
325.10730	4.2
326.07941	5.6
326.11633	2.1
327.08652	0.5
339.12381	1.1
340.13251	1.9
341.10306	27.6
341.13498	1.2
342.10675	2.9
354.08005	0.4
355.11896	0.7
356.12695	18.4
357.13141	1.9
363.08792	1.6
371.08240	2.2
371.14990	17.7
371.24466	1.6
371.58707	1.7
372.15399	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	371.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.9
59.01384	4.6
69.50887	3.9
71.01379	2.3
71.05022	8.6
72.74016	0.6
79.01907	1.3
83.01405	1.2
84.50231	0.6
85.02977	1.7
87.00822	0.7
87.04511	6.5
93.03519	0.8
95.05045	4.2
97.02950	10.0
99.00899	1.0
100.31689	0.6
101.02471	1.1
109.02985	0.6
109.06567	0.9
111.04523	2.3
113.02459	1.6
121.02971	7.2
123.00911	1.0
123.04565	0.9
123.08195	2.0
125.02440	1.1
130.08743	0.8
135.04527	1.2
137.02438	1.3
138.03223	1.0
139.04021	100.0
140.04337	3.9
153.05542	1.8
163.04045	7.7
165.09216	12.6
177.05659	0.8
181.05034	0.9
193.05006	1.6
205.05042	2.3
209.08197	68.6
210.08508	4.1
227.03668	1.5
249.06149	1.6
253.07365	0.8
283.08163	4.7
327.08850	1.1
371.07773	7.9
371.13510	2.8
372.08102	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.5
57.03448	0.4
59.01380	0.6
69.25050	1.4
71.05017	1.3
77.03957	0.3
79.01911	1.6
80.89126	0.2
83.01343	0.2
85.06591	0.8
87.04520	1.0
93.03459	0.3
95.05042	3.6
96.62318	0.3
97.02953	2.4
98.22548	0.5
107.05014	0.4
108.02174	0.4
109.02962	0.7
109.06587	0.8
111.04529	2.6
111.38331	0.2
113.16956	0.2
121.02979	1.0
121.06561	0.3
122.11211	0.2
123.04538	0.4
123.08163	2.7
125.09710	0.3
135.04509	0.3
138.03235	0.4
139.04028	10.1
140.04367	0.5
141.09201	0.5
147.08176	1.1
149.42706	0.2
150.06857	0.5
150.12581	0.2
156.10530	0.2
159.04579	0.3
160.05209	0.3
162.03259	0.6
163.04037	0.5
163.07666	1.0
165.01944	1.2
165.09218	18.2
166.02751	0.4
166.09560	0.8
172.38570	0.3
175.04044	0.4
177.01978	0.4
177.05569	0.6
187.09996	0.2
191.07129	1.9
205.08687	0.5
207.06703	0.4
209.08205	100.0
210.08548	6.2
233.08232	0.9
237.05453	0.2
251.09351	1.3
371.13263	0.8
371.24429	1.8
372.24921	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.3
56.37284	0.2
57.03469	0.3
59.01369	0.3
59.04995	0.2
61.60664	0.2
69.08841	0.9
69.09270	1.0
71.01391	0.3
71.05014	0.6
73.02915	0.3
79.01902	1.3
81.03441	0.3
83.05048	0.3
85.06605	0.6
87.04492	0.8
90.98479	0.3
94.07998	0.2
95.05035	4.4
97.02953	1.6
98.21798	0.5
107.05029	0.4
108.02145	0.3
109.06613	1.4
111.04528	3.3
121.02996	0.6
121.06580	0.2
122.03709	0.3
123.04496	0.6
123.08170	2.4
135.04541	0.2
137.06129	0.3
139.04018	7.1
140.04373	0.3
141.09149	0.4
147.08159	1.1
150.06836	0.5
153.05562	0.5
163.04021	0.7
163.07617	0.5
165.01967	1.3
165.09213	28.1
166.02739	0.3
166.09546	1.8
167.07140	0.3
177.09180	0.2
179.07141	0.6
181.05009	0.3
189.01910	0.5
191.07089	1.9
193.08687	0.9
194.05789	0.3
205.08742	1.4
207.06676	0.6
208.07367	0.7
209.08195	100.0
210.08530	6.4
215.07104	0.9
221.08119	0.6
223.09753	1.7
233.08195	19.7
234.08562	1.7
251.09254	7.9
252.09538	0.7
263.09210	1.6
275.09274	0.3
277.85788	0.2
338.51511	0.2
341.10513	0.5
356.12775	0.4
371.13501	4.6
371.24380	0.6
372.14090	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1346
Annotation	Multifidol glucoside
Peak:m/z	Relative Intensity
54.85270	2.0
55.15950	2.4
57.03440	4.4
59.01395	3.7
71.01396	9.0
71.27358	2.8
71.27769	3.0
73.02972	2.1
81.03484	4.2
83.01406	6.1
85.02961	4.8
87.00872	16.7
87.42767	2.2
95.05032	3.8
97.02972	3.0
99.00878	2.9
99.04529	4.3
99.92835	2.1
101.02430	4.1
107.05044	2.2
109.02968	9.4
109.03638	2.3
113.02475	4.2
121.02980	4.9
123.00921	2.6
123.04555	7.0
125.02462	31.5
131.04999	3.1
137.02455	27.8
139.04085	3.1
149.02489	2.4
150.03267	14.4
151.04005	10.3
153.05658	2.9
161.02411	4.9
163.04079	2.5
165.01892	3.1
165.05583	11.4
167.03499	29.1
169.01387	3.3
172.07039	2.0
175.03981	4.0
177.01976	6.3
178.02724	12.0
179.03514	60.5
191.03688	2.2
193.05074	95.4
194.05818	45.8
197.04581	5.1
203.03732	2.6
208.07417	24.6
209.04562	9.7
209.08194	100.0
210.08546	6.7
217.01524	3.6
243.03017	6.1
251.05705	4.1
289.07138	11.1
311.05249	2.6
325.03375	3.2
371.04779	4.6
371.09885	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	371.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.7
57.03462	1.6
58.00602	2.5
59.01382	100.0
69.34924	5.2
69.35335	3.2
71.01385	40.2
72.99313	3.4
73.02955	1.9
74.99087	1.4
75.00871	3.3
83.01414	2.2
85.02959	9.0
87.00864	2.1
89.02449	52.1
95.01392	3.9
96.38515	1.3
98.22460	3.0
99.00877	1.8
101.02456	28.9
107.05015	2.2
113.02457	18.1
119.03521	27.1
121.02938	9.5
123.04533	2.2
137.02475	2.6
140.87402	1.6
143.03522	1.9
149.04831	2.5
149.06062	20.8
179.05608	3.9
191.07222	1.8
191.54921	1.5
249.06171	5.0
271.43985	1.3
353.53900	1.4
371.13470	72.1
372.13654	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	371.1492
Annotation	Tetrahydrocurcumin
Peak:m/z	Relative Intensity
71.28650	0.8
73.17796	0.4
73.36422	0.4
75.12138	0.4
79.01900	0.5
97.02964	0.7
108.02219	0.5
109.06586	1.6
110.00130	0.4
111.04521	1.2
121.02988	0.7
123.08137	0.6
133.02962	0.9
134.03741	0.4
137.02480	1.0
138.03239	5.4
139.03987	1.6
149.06029	0.6
162.50507	0.4
165.01942	6.0
165.05511	0.5
165.09245	3.1
166.02724	24.4
167.03139	0.8
170.02173	1.2
175.07625	0.6
179.07147	1.2
180.07916	0.7
189.09285	0.5
191.07109	1.1
193.05023	1.3
207.06628	6.2
208.07417	59.0
209.08168	22.8
210.08533	1.2
221.11790	2.6
241.08693	1.0
259.13644	0.6
260.25140	0.5
281.26190	0.5
312.13840	0.7
327.16068	1.9
371.15002	100.0
372.15375	14.0
372.26135	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1493
Annotation	Kadsurin A
Peak:m/z	Relative Intensity
62.86919	0.7
67.13186	0.7
68.83447	0.7
78.93679	0.7
79.01878	1.2
97.02935	1.2
106.41358	0.8
109.02959	0.7
109.06591	1.8
111.04530	1.7
121.02937	0.9
123.08054	1.0
133.02971	0.9
137.02461	1.7
138.03203	6.1
139.03999	2.5
149.06177	1.0
163.07657	0.8
165.01945	9.2
165.09207	3.3
166.02725	32.7
167.03023	1.2
170.02234	1.1
174.06966	1.0
179.07162	1.6
180.07950	0.9
181.08229	0.9
193.05127	1.5
199.04147	0.8
207.06631	7.9
208.07414	73.4
209.08157	24.6
210.08479	1.3
221.11853	3.1
240.06358	0.8
241.08723	1.0
297.11078	0.7
327.16013	2.2
350.72345	0.9
371.15002	100.0
372.15350	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	371.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98970	0.6
59.01373	1.7
61.04259	0.7
65.00322	0.6
67.01895	3.0
67.02220	0.6
68.99811	0.6
71.01371	0.9
72.99300	0.7
80.02686	1.0
81.03467	0.9
83.01389	2.5
87.00909	0.7
91.05507	0.8
93.03474	2.0
95.01408	3.6
107.01469	0.6
107.05038	2.2
108.02185	57.4
109.02983	9.4
110.03292	0.7
111.00889	10.9
111.04507	1.6
117.03458	0.7
119.05053	5.3
121.02967	3.3
123.00898	25.3
123.04539	31.2
123.08177	0.7
124.01688	16.9
125.09737	2.2
135.04533	9.8
138.03255	1.0
139.00368	1.8
145.02934	1.3
149.06061	1.9
151.00414	1.1
159.10342	0.7
162.03201	1.4
163.04021	16.4
164.04471	0.7
171.10292	6.9
173.06192	0.9
173.11839	5.0
175.04039	0.8
177.05569	3.6
189.05606	0.7
190.06322	1.1
191.03539	0.8
191.07210	1.3
199.13417	1.5
201.05510	0.9
205.08681	1.4
207.06903	0.7
209.08215	1.5
215.12831	0.7
217.01517	0.7
217.05061	1.3
219.06607	1.0
232.07390	1.6
243.06627	2.0
247.09805	4.2
248.05507	1.3
252.35367	0.7
259.09515	0.6
261.04932	1.0
261.07681	14.1
262.08035	0.9
327.08875	1.2
327.12469	1.5
341.10269	3.4
356.12665	35.3
357.12918	5.0
371.15018	100.0
371.20255	7.2
371.24835	2.9
371.29590	2.4
372.15359	13.3
372.20059	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87630	0.6
51.90267	0.7
54.02021	0.6
57.03450	0.9
58.57452	0.7
59.01374	0.7
67.01897	0.7
69.36751	4.3
79.01893	1.0
85.06609	0.8
87.04510	0.9
91.01884	0.8
94.93653	0.7
95.05025	1.5
95.95145	0.6
97.02913	0.7
97.06555	1.1
107.05038	1.9
108.02182	5.8
109.02981	2.0
111.04522	14.7
121.02977	1.7
121.06602	3.0
122.03754	0.8
123.00931	0.9
123.04532	8.1
123.08183	4.0
125.09689	3.3
127.11292	1.2
134.03752	14.9
135.04565	1.2
135.08186	1.1
137.02396	0.8
137.06148	1.3
138.03258	1.9
139.04008	1.1
145.02966	0.7
147.04463	1.6
149.02425	1.4
149.06090	11.4
150.03203	0.6
151.04010	8.9
160.05276	1.3
161.06053	1.3
163.04037	1.3
164.04803	1.3
165.01869	1.7
165.05556	5.4
165.09196	1.9
166.02739	5.7
167.03320	0.9
171.10294	1.5
173.11861	6.4
175.07660	1.1
177.01938	2.5
177.09123	1.3
185.06035	0.9
185.11798	1.0
187.04071	1.0
188.04761	0.7
189.09196	3.1
189.47392	0.7
191.03508	6.2
191.07091	2.2
191.10796	6.9
192.04225	1.3
192.11174	0.8
193.05003	1.5
193.08681	2.9
195.06664	1.1
197.11745	0.8
203.07091	5.2
204.04251	1.1
206.09399	1.2
207.06549	2.2
208.07425	10.2
209.08209	6.9
213.11378	0.8
215.12874	9.7
217.08658	2.8
218.08174	0.8
219.06624	16.0
220.06856	0.8
221.08200	65.5
222.08508	4.3
233.08191	6.8
234.08806	3.0
235.09767	40.4
236.10117	3.0
241.08839	2.0
247.09740	2.7
255.10316	1.5
261.27115	0.7
297.11163	1.0
299.22330	1.2
311.13019	0.9
312.13559	0.9
327.15939	3.9
327.23318	0.9
328.16400	0.8
341.10440	0.8
356.12747	0.9
371.15002	100.0
371.24429	14.7
371.29535	5.9
372.15326	13.7
372.24808	1.5
372.29691	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	4.3
69.07257	2.8
69.07680	5.0
76.12847	0.8
79.29482	0.8
95.04990	1.0
97.02965	1.3
99.00861	1.2
109.03004	1.3
109.06599	1.9
111.04522	4.1
116.62318	1.0
123.08134	1.7
125.09715	1.1
137.02460	1.6
138.03270	5.3
139.04041	2.0
149.05983	1.2
165.01945	7.0
165.09218	3.5
166.02731	27.6
179.07063	1.0
189.10823	0.8
191.07104	1.1
193.05016	1.6
207.06612	6.4
208.07413	65.1
209.08160	21.9
252.22382	0.9
312.13733	1.3
327.15747	2.2
371.15012	100.0
371.24612	3.0
371.29492	4.1
372.15369	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	371.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	6.8
57.03437	4.7
58.00583	3.3
59.01386	45.9
61.27893	1.0
69.03609	10.3
71.01388	46.9
72.01683	1.1
72.99301	2.0
73.02953	15.7
73.19499	1.1
75.00840	1.5
79.01884	1.2
83.01394	13.9
85.02954	25.2
86.00076	2.4
87.00883	4.1
87.04514	1.3
89.02444	9.4
95.01379	4.1
97.02953	2.1
99.00904	5.4
101.02452	39.3
102.05614	2.5
111.00896	2.2
113.02448	15.4
113.92619	1.1
119.03529	2.0
120.01434	1.1
121.02175	1.9
121.02963	17.7
123.00905	1.5
125.02441	1.7
128.03595	1.7
139.04030	6.5
143.03557	1.4
149.06070	2.6
153.01926	1.7
159.03032	2.5
161.04582	5.9
163.04071	1.3
165.09200	1.4
194.09488	54.8
195.09959	4.2
199.52574	1.3
209.08560	7.6
209.11841	75.6
210.12210	6.5
371.17148	100.0
372.17416	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	371.2078
Annotation	Myriaporone 4
Peak:m/z	Relative Intensity
50.80479	4.6
53.79305	5.4
59.01365	21.6
60.01682	5.5
83.05029	10.3
92.66393	5.2
97.06577	8.1
111.08143	16.9
117.52615	5.7
123.03629	5.6
123.04527	5.4
125.09739	31.3
127.07690	7.1
135.04550	13.2
145.08682	23.3
159.10258	8.7
167.10760	6.0
179.03391	6.4
181.12383	29.9
185.11868	11.8
187.09782	11.7
193.08624	8.1
196.75427	5.5
201.11380	6.0
207.10262	48.8
211.09747	8.2
225.11331	51.5
341.10199	7.9
353.19727	68.5
354.20004	11.3
355.18564	5.8
371.20749	100.0
372.21094	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	371.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	9.3
57.03450	8.6
58.00589	2.8
59.01380	70.7
60.01709	0.7
68.99834	0.6
69.03472	1.0
69.24668	2.4
69.25086	1.4
71.01384	100.0
71.12144	0.5
72.01714	1.3
72.99306	3.3
73.02950	29.1
75.00869	1.2
75.67716	0.7
83.01389	15.4
85.02954	47.8
86.00098	0.6
86.03287	1.3
87.00883	4.7
89.02448	30.5
94.17065	0.5
95.01393	7.4
97.02967	1.9
99.00887	13.8
101.02448	80.9
102.02790	1.6
103.04010	0.7
111.00890	0.8
113.02457	43.0
114.02793	0.9
119.03512	10.9
123.08158	0.8
125.02463	1.7
129.01935	2.4
131.03511	1.4
137.09772	0.6
143.03505	4.2
159.03008	9.2
161.04562	40.8
162.04980	0.9
179.05666	1.4
205.03561	0.7
209.08257	1.1
209.15463	8.9
210.15657	0.8
213.54962	0.6
371.16965	2.1
371.20779	34.4
372.20996	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	371.244
Annotation	8,8a-Deoxyoleandolide
Peak:m/z	Relative Intensity
54.08576	0.6
55.03273	0.7
57.03433	2.4
64.77633	0.7
69.18834	2.7
69.19250	1.5
82.65401	0.7
113.64500	0.7
125.09724	1.8
127.11277	2.4
139.11314	1.0
151.11330	1.2
153.12866	49.6
154.13220	2.5
155.10799	2.5
173.11838	43.0
174.12180	2.2
187.13364	1.2
187.23714	0.8
197.11850	34.6
198.12195	1.6
215.12883	38.4
216.13217	2.4
291.23578	0.7
291.26660	1.1
309.24390	5.2
353.23401	7.8
354.23642	0.9
371.24399	100.0
372.24768	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	371.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61769	0.4
57.03443	0.5
59.01373	2.1
71.01364	1.1
71.05009	0.6
71.28230	0.7
73.02931	1.1
83.05025	0.8
87.04514	0.6
97.06596	3.3
108.02171	0.8
109.06620	0.7
111.08167	0.6
119.41165	0.4
121.02968	0.9
123.08179	1.1
125.02428	0.7
125.09711	2.7
127.07655	0.5
127.11312	0.6
137.09708	1.1
139.04037	0.7
139.11302	3.3
149.09686	0.5
155.10803	1.3
157.12300	1.0
159.31943	0.4
163.04048	0.8
165.09264	0.5
169.12213	0.5
171.10219	1.2
173.11850	0.7
174.10390	0.5
177.01999	0.4
185.11842	14.5
187.09802	0.7
191.03609	0.5
201.11353	0.4
209.06050	1.4
209.08191	2.7
213.11241	1.0
214.12111	2.0
215.12837	1.5
220.69139	0.5
227.12981	0.6
231.29782	0.5
241.14449	0.7
243.16003	4.3
255.16112	0.9
268.03763	1.0
291.19650	0.6
305.21362	0.5
309.07620	0.6
311.22360	1.4
327.21674	1.1
341.23337	5.7
342.23572	0.6
343.21280	1.2
353.19455	0.7
353.23380	1.2
371.11337	2.0
371.24411	100.0
372.11292	1.3
372.24768	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	371.2444
Annotation	19(R)-hydroxy-PGF1alpha
Peak:m/z	Relative Intensity
57.03436	1.2
59.01368	0.9
69.03445	0.5
71.01384	0.6
71.05017	0.7
73.02938	1.3
74.52776	0.4
79.69978	0.4
83.04989	0.4
85.02947	0.9
87.04520	0.8
94.17708	0.4
95.05042	0.5
97.06594	1.7
99.41409	0.4
108.02195	2.1
109.06590	0.7
111.04528	0.5
118.75877	0.4
121.02965	0.4
123.04546	1.1
123.08163	1.3
125.09736	3.7
137.09715	0.9
139.03970	0.4
139.11276	1.7
141.09187	0.7
141.12798	0.7
143.10779	0.6
151.11481	0.5
151.92485	0.4
153.09236	0.5
155.10800	1.1
156.15997	0.4
157.12271	0.6
169.12286	0.8
171.10289	7.5
181.08685	0.6
185.11819	5.5
187.03984	1.0
187.09718	0.6
197.11955	0.4
198.08118	0.4
200.10628	0.5
201.11111	0.5
201.26514	0.4
209.08203	1.6
213.11336	0.9
214.12134	0.9
215.03491	2.9
215.12921	1.0
227.12936	0.5
228.13528	0.5
243.15919	1.8
255.16008	0.5
261.22348	0.5
268.79767	0.5
281.17636	1.5
297.07980	0.5
311.22171	1.1
339.08893	0.8
341.23389	6.2
342.23557	0.6
353.23334	1.0
369.22964	1.0
371.24405	100.0
372.24728	11.5
372.29446	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2592
Annotation	3-Oxo-chol-4-en-24-oic acid
Peak:m/z	Relative Intensity
69.08415	0.7
69.08736	2.9
70.44267	0.4
71.48415	0.3
73.17757	0.4
73.35460	0.3
94.47930	0.3
112.83429	0.3
118.47079	0.3
159.84641	0.4
166.06339	0.7
177.12845	2.3
179.07152	0.5
191.07161	0.4
202.61200	0.4
206.09531	1.7
207.10263	2.0
221.11836	59.3
222.12180	4.0
235.13446	1.1
254.96535	0.3
262.09509	0.4
268.13199	1.3
270.88589	0.4
279.63303	0.4
296.99728	0.4
303.19760	0.8
313.18207	1.3
371.25934	100.0
372.26288	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	371.3168
Annotation	CHEBI:79298
Peak:m/z	Relative Intensity
51.01144	0.6
53.27319	0.6
54.63068	0.6
56.96989	0.7
64.59521	0.6
66.09126	0.6
69.02215	0.6
71.05228	0.7
71.05571	0.9
72.99316	30.0
75.00873	7.2
82.90189	0.5
94.43287	0.6
97.96924	0.6
272.60532	0.7
285.99319	0.7
295.30118	2.8
325.31070	1.2
333.72827	0.7
338.29279	0.8
371.31693	100.0
372.27530	1.2
372.31989	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	372.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37698	1.3
56.34816	1.4
56.85165	1.2
59.01365	3.2
66.93326	1.2
67.01837	1.5
71.27984	2.5
74.49982	1.3
80.37086	1.3
81.72066	1.3
108.02180	12.6
109.02975	27.0
111.00880	2.8
111.04507	2.0
119.05000	1.3
121.02978	3.8
123.00909	6.2
123.04546	8.5
124.01663	3.2
125.02380	1.6
125.09745	1.6
133.03033	3.0
134.03752	5.8
135.04539	2.1
136.01657	2.5
136.85687	1.4
137.02452	10.6
139.00380	2.7
142.88454	1.4
145.02968	13.9
147.04529	2.6
150.03212	3.5
151.04012	5.1
153.01976	1.5
160.05307	2.1
163.04015	2.8
164.04652	1.3
165.01930	2.9
165.05585	12.2
175.04016	2.6
175.07657	1.8
177.02077	1.5
177.05658	1.6
178.02670	2.2
179.07137	1.9
180.04254	2.1
181.06587	1.7
181.08652	2.1
183.06628	1.7
185.06012	2.0
188.04857	3.8
189.05573	2.3
190.06367	2.1
191.07095	9.0
193.05063	3.1
195.06699	2.6
202.06349	3.1
203.07158	2.3
209.06085	5.7
209.08072	2.3
210.06764	1.3
217.05170	1.5
221.08260	6.6
224.07047	2.7
226.87546	1.4
227.07204	3.1
229.01524	2.3
237.05582	11.2
238.06319	3.4
239.03343	1.9
240.04338	3.5
241.08765	1.9
251.07193	2.1
253.05206	3.9
254.05806	5.1
255.06642	48.6
256.07129	4.7
257.00977	3.5
261.07681	2.8
265.08575	3.7
269.08121	1.5
270.08990	12.8
271.09750	9.0
272.03351	1.8
273.07669	3.1
282.09000	3.2
283.09814	2.8
285.00455	2.8
285.07709	10.3
286.08398	4.6
287.22278	5.7
292.07425	2.3
293.08249	8.3
294.08969	2.5
295.06125	2.5
295.09787	2.0
297.11319	3.9
299.05371	1.8
307.09879	1.9
309.07660	2.8
310.08414	14.6
311.09241	24.7
312.09744	2.2
312.99985	2.0
313.07156	2.9
314.07919	3.1
315.08490	1.7
325.10834	36.6
325.14493	2.4
326.11548	21.5
328.02304	1.8
340.13300	2.7
343.04614	14.5
343.11752	3.0
345.13455	4.6
355.15607	6.2
357.13132	2.1
358.07074	10.4
358.14243	11.3
372.10922	100.0
372.15118	6.4
372.30130	1.5
373.09366	7.1
373.12323	9.3
373.16614	48.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1819
Annotation	Stephodeline
Peak:m/z	Relative Intensity
55.01859	0.5
57.77578	0.4
59.01390	0.5
65.99842	1.6
69.03421	0.5
71.05013	0.5
71.29775	0.6
83.05033	0.5
84.24419	0.4
91.92149	0.4
97.06592	1.0
101.18481	0.4
109.02930	0.8
109.06637	0.5
112.00433	2.6
121.02962	0.9
122.03745	1.7
123.04520	3.9
125.01191	0.6
125.09695	0.8
126.99135	1.3
135.04549	4.7
136.05051	0.4
137.06125	0.9
163.07648	0.6
165.04324	0.8
179.07182	0.9
187.09631	0.5
211.07626	0.5
222.44661	0.5
245.15503	0.6
257.17416	0.6
259.17169	0.5
271.17178	0.5
283.17108	0.8
300.19901	0.5
301.18121	16.2
302.18353	1.8
328.12772	1.6
329.17654	0.6
350.62393	0.6
372.18182	100.0
373.13077	1.3
373.18552	11.3
373.25876	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	372.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
71.28614	9.2
76.53579	5.9
121.99171	6.7
169.05002	11.9
179.07297	6.9
221.11859	26.1
222.12183	13.0
223.15668	6.2
224.06737	9.8
312.98318	8.9
372.26297	100.0
373.16360	34.9
373.20361	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	373.0565
Annotation	Melinervin
Peak:m/z	Relative Intensity
58.68933	0.4
59.01313	5.8
59.01635	0.6
61.41700	0.4
64.47012	0.4
67.90686	0.3
68.98087	4.2
71.88766	0.4
74.83119	0.4
87.60195	0.4
96.95976	0.6
108.02132	0.4
113.54892	0.4
124.01597	0.5
160.01587	1.0
176.01125	0.8
188.01048	1.6
200.01057	1.5
214.99960	0.5
216.00618	2.7
228.00591	0.8
228.97762	2.2
240.97757	0.9
242.99312	0.9
244.00130	20.1
245.00444	0.9
256.00113	1.0
256.97290	3.0
269.80676	0.4
270.98788	3.3
271.04553	0.4
271.99545	1.7
278.37796	0.5
284.96771	16.3
285.97113	1.3
298.98248	2.5
299.99124	29.7
300.99448	2.2
312.96317	6.1
313.23938	0.8
315.01505	6.1
326.97815	0.8
327.98611	20.6
328.98975	1.9
331.25034	1.5
343.00955	100.0
344.01279	9.3
357.02734	0.5
358.03314	42.4
359.03690	4.1
373.05667	28.1
373.26117	5.9
374.05832	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99049	1.3
59.01394	1.9
63.96225	1.7
66.18112	1.3
71.29197	2.0
79.95733	3.2
86.52379	1.3
125.09697	1.8
131.50783	1.6
152.71663	1.4
171.10309	1.9
196.31483	1.5
228.00763	1.4
244.00159	4.3
256.97278	1.8
269.69229	1.4
270.98840	1.7
284.96832	21.4
295.58975	1.5
299.99136	15.3
312.92654	2.1
312.96286	42.4
312.99814	2.9
313.96570	2.5
315.01416	2.8
327.98642	66.2
328.98965	5.7
343.00977	100.0
344.01282	9.6
358.03329	83.7
359.03601	8.5
373.05673	41.0
373.16360	1.9
374.06094	2.9
389.25662	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	14.1
65.03973	0.8
73.32073	0.6
80.04055	0.7
85.06591	1.3
87.04531	1.2
93.03497	1.0
94.64238	0.6
98.22698	0.7
108.02254	0.8
109.02982	2.3
111.04535	13.0
111.08159	1.4
121.03023	0.8
123.08156	0.9
137.06104	3.3
159.04559	0.8
160.01686	1.2
161.06073	0.8
163.07788	0.7
175.04045	3.2
177.05577	2.1
179.03371	0.7
179.07138	5.4
187.04077	1.4
188.01215	1.2
189.05571	4.3
190.06331	0.8
191.03450	1.7
193.01491	1.9
195.06625	2.0
199.04082	1.0
200.01244	1.3
203.03523	8.8
203.07204	2.0
204.04105	1.0
205.05046	3.6
205.08763	0.7
213.05476	0.8
215.03577	2.8
216.00684	1.3
217.05069	4.9
219.03020	4.6
219.06592	0.8
219.10214	0.9
220.03761	1.2
227.03516	0.9
231.10269	4.4
233.04564	3.8
233.08136	1.0
242.02246	0.9
242.99394	1.0
243.03046	4.8
244.00145	15.0
244.03777	1.7
245.00647	1.0
245.08235	0.8
245.11893	0.8
246.01765	1.5
246.12668	2.7
247.02484	7.1
256.97321	2.7
257.04614	1.5
258.05307	1.1
259.02493	11.2
259.05322	1.0
259.06259	1.0
260.03195	2.3
261.04056	8.5
261.11008	1.0
261.15002	7.2
269.00922	2.5
270.99020	2.4
271.02588	2.0
271.13495	2.0
271.99652	1.8
273.11084	1.1
284.96777	11.8
285.14951	0.9
285.97275	0.8
287.02029	10.6
287.13019	1.7
288.02737	22.1
289.03296	1.6
298.98380	2.0
299.99139	21.4
300.10028	1.8
300.99512	2.2
301.11136	1.1
301.14456	1.3
302.04324	18.2
302.07520	1.4
303.04947	2.3
305.10272	1.5
312.96252	5.9
313.23944	2.6
314.08060	1.8
315.01486	57.0
315.12372	26.0
316.02094	9.7
316.12906	2.7
325.03601	1.0
327.98596	15.4
328.99011	1.2
329.06979	1.0
329.10397	3.4
329.17447	4.1
330.14713	5.5
331.24808	5.0
340.05969	1.3
341.06741	1.9
343.00955	83.3
343.04288	5.7
344.01349	7.6
357.06226	1.0
358.03262	28.2
358.07117	59.5
359.03613	2.5
359.07443	5.0
373.05499	15.5
373.09439	100.0
373.17026	3.6
373.20267	52.5
373.25946	10.1
374.05865	1.5
374.09711	10.7
374.16650	1.3
374.20596	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	373.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12494	0.3
59.01383	3.7
66.82462	0.4
69.54321	0.3
71.01378	2.0
71.05019	0.6
71.29151	0.4
72.99320	0.6
73.44701	0.4
78.50191	0.4
79.30025	0.4
87.00882	100.0
88.01237	1.5
89.02456	1.6
96.36338	0.4
101.02456	1.3
111.00894	0.6
113.02461	0.5
119.03470	0.6
120.99667	33.5
121.99957	0.6
125.02446	0.5
129.05421	0.5
137.02426	0.7
138.24278	0.4
148.05318	21.3
149.05638	0.9
151.99400	2.9
161.02470	0.8
163.07660	18.3
164.08044	0.7
167.01762	4.1
174.06921	0.9
179.98871	13.5
180.99654	4.9
195.01222	12.7
196.01846	1.3
210.03552	9.4
211.04184	2.4
226.15913	0.4
230.66089	0.4
233.08270	0.5
251.09283	0.7
343.04950	1.5
373.09671	6.1
373.14240	1.9
373.18805	0.5
374.10226	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12494	0.3
59.01383	3.7
66.82462	0.4
69.54321	0.3
71.01378	2.0
71.05019	0.6
71.29151	0.4
72.99320	0.6
73.44701	0.4
78.50191	0.4
79.30025	0.4
87.00882	100.0
88.01237	1.5
89.02456	1.6
96.36338	0.4
101.02456	1.3
111.00894	0.6
113.02461	0.5
119.03470	0.6
120.99667	33.5
121.99957	0.6
125.02446	0.5
129.05421	0.5
137.02426	0.7
138.24278	0.4
148.05318	21.3
149.05638	0.9
151.99400	2.9
161.02470	0.8
163.07660	18.3
164.08044	0.7
167.01762	4.1
174.06921	0.9
179.98871	13.5
180.99654	4.9
195.01222	12.7
196.01846	1.3
210.03552	9.4
211.04184	2.4
226.15913	0.4
230.66089	0.4
233.08270	0.5
251.09283	0.7
343.04950	1.5
373.09671	6.1
373.14240	1.9
373.18805	0.5
374.10226	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1141
Annotation	[2aR-(2aalpha,3beta,4alpha,7balpha)]-3-(beta-D-Gucopyranosyloxy)-2a,3,4,4a,5,7b-hexahydro-4a-hydroxy-4-methyl-1H-2,6-dioxacyclopent[cd]inden-1-one
Peak:m/z	Relative Intensity
55.54429	0.6
59.01383	3.9
62.39927	0.7
69.27329	4.7
71.01388	4.0
72.99332	0.7
73.02956	1.0
78.52709	0.6
80.55843	0.6
81.03480	1.3
83.01402	0.7
85.02936	1.6
89.02444	2.3
95.01419	0.8
95.05049	1.2
97.02927	1.0
99.23376	0.6
101.02452	2.2
104.93390	0.6
109.02941	0.8
111.00893	1.3
113.02414	0.7
120.99583	0.7
121.06626	1.0
123.00879	2.2
123.04478	1.2
124.01679	3.7
125.02471	4.1
136.46805	0.7
137.02419	1.3
137.06067	1.0
139.00404	2.7
139.04024	2.2
140.01161	1.2
149.06058	1.6
150.03210	1.5
151.03967	0.6
151.83812	0.6
152.01195	1.5
152.04790	1.3
153.01950	7.9
161.04549	1.2
165.01939	0.8
167.03503	6.6
167.07137	10.1
168.03934	1.2
169.04028	0.8
172.35014	0.6
178.02740	5.0
181.08713	1.7
193.05112	3.9
195.02977	4.4
196.03772	69.4
197.04164	3.7
210.05469	1.1
211.06126	100.0
212.06505	4.2
253.07146	4.6
283.08191	1.7
373.11392	34.0
374.11548	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	373.1142
Annotation	Dercitamide
Peak:m/z	Relative Intensity
55.01867	0.7
59.01384	5.5
61.55284	0.6
63.42442	0.5
67.01880	0.6
67.64925	0.4
69.22934	1.5
69.23343	1.8
71.01386	4.6
72.99313	0.8
73.02948	2.2
78.57568	0.5
79.01873	0.8
83.01392	2.3
85.02972	2.6
89.02451	1.2
95.01395	1.8
101.02456	4.2
107.01406	3.3
109.02937	0.7
111.00910	3.4
113.02486	2.4
123.00896	15.9
124.01694	1.7
125.02452	14.5
126.02718	0.5
127.00417	1.2
136.98805	2.0
139.00383	5.6
140.01180	4.7
141.01915	1.9
151.00381	12.0
153.01929	1.0
154.99826	0.7
163.04068	0.6
164.04271	0.5
168.00690	5.2
169.01437	15.2
170.01797	0.8
211.02347	0.6
313.05441	0.9
373.11414	100.0
374.11719	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	373.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	3.5
61.92879	1.0
70.19187	1.1
79.95746	2.9
81.03481	2.4
83.05006	1.5
91.01904	1.4
93.03477	2.7
95.05038	2.8
97.06610	2.1
98.21802	2.7
105.03447	1.4
108.02179	16.5
109.02961	85.0
110.03283	2.1
111.00909	3.3
111.04544	1.6
111.08154	2.4
120.16814	1.2
121.02954	5.7
123.00898	10.9
123.04517	12.1
123.08184	1.7
124.01691	7.7
125.02373	1.3
125.09704	5.2
135.00853	1.2
135.04562	6.1
136.01665	3.7
137.02483	3.6
139.00418	1.8
139.11307	3.1
141.01990	2.0
147.08192	1.4
148.05276	1.3
149.02444	15.3
149.06042	1.2
150.03270	1.3
151.04008	3.9
152.01152	7.5
153.01949	100.0
154.02286	3.6
155.07253	1.4
160.05305	1.3
163.04030	9.1
163.07661	2.1
164.04811	19.9
165.05588	3.3
167.03532	7.5
171.10295	1.5
173.11841	3.1
175.07687	2.6
177.01938	61.1
178.02727	30.2
178.06378	3.8
179.03389	2.0
179.07150	16.8
185.11850	1.5
187.98137	1.1
191.03574	1.9
191.07205	5.6
192.04294	63.8
193.05045	30.6
194.05403	2.1
197.08133	1.6
208.07559	1.5
209.04469	1.3
215.12799	1.2
223.06259	1.3
237.18539	1.1
249.07707	2.2
281.17529	3.6
282.08862	1.3
297.11298	1.2
299.09323	1.1
299.18591	5.5
325.10638	1.3
329.19870	1.2
340.13174	3.0
341.10333	2.2
343.04825	1.2
355.15485	5.1
358.14252	12.5
373.12790	6.3
373.16663	38.2
373.22241	1.9
373.26123	17.2
374.12878	1.7
374.17068	5.3
374.26422	2.3
397.98038	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.4
77.03977	0.6
93.03448	2.2
95.05033	2.0
97.06567	0.5
105.03499	0.8
107.01396	0.4
108.02169	2.5
109.02972	0.6
113.39399	0.4
121.02987	3.7
123.00900	1.8
123.04542	4.5
124.01689	0.7
125.09717	2.7
133.02969	0.6
135.00905	0.5
135.04535	2.5
136.05324	0.9
137.02481	0.7
140.86586	0.4
149.02458	14.8
149.06093	0.7
150.03261	2.5
151.04028	0.5
159.10286	0.7
161.02461	0.9
163.04037	0.8
164.04805	20.7
165.05258	0.9
177.01953	42.9
178.02734	70.4
179.03073	3.2
179.07156	11.9
180.07507	0.6
187.09734	1.0
191.03500	0.9
192.02515	0.8
192.04311	29.4
193.05080	100.0
194.05432	5.5
206.05876	0.8
213.07610	0.4
221.08324	0.7
269.57077	0.4
284.07007	0.7
299.09198	2.6
355.11774	0.6
355.17667	0.9
358.14450	0.8
373.12833	3.6
373.16971	2.2
373.26257	2.6
374.13205	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	5.3
58.00585	2.4
59.01096	3.0
59.01384	43.9
69.20531	8.5
71.01388	35.7
72.01715	1.4
72.99306	3.3
73.02955	11.4
75.00878	1.9
81.01698	1.4
83.01396	9.5
85.02958	15.7
86.00107	3.0
87.00892	4.3
87.67145	1.4
89.02450	13.7
95.01389	4.6
99.00890	6.9
101.02451	35.4
111.00928	2.4
111.71828	1.3
113.02471	13.3
119.03522	5.1
133.61044	1.3
137.02434	4.2
145.02998	1.5
150.03300	2.2
151.03986	2.9
161.04591	3.4
163.04024	2.9
164.04605	1.5
165.05637	3.8
178.06456	2.9
181.05092	22.9
181.06621	2.4
182.05792	2.2
183.84970	1.5
193.17230	1.4
196.07410	26.0
197.07982	2.4
211.09766	61.0
212.10085	2.9
250.20482	1.7
358.12723	9.9
373.15039	100.0
374.15265	8.1
396.97559	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	373.1656
Annotation	Hexahydrocurcumin
Peak:m/z	Relative Intensity
57.03436	1.8
69.14709	6.2
69.66295	0.7
71.01387	1.1
71.05034	1.3
72.67860	0.8
85.02959	4.7
85.06574	1.6
87.04519	3.9
95.05042	4.0
97.06617	4.6
99.00890	6.5
99.04546	1.4
104.42594	0.9
104.46579	0.7
111.04528	22.5
113.06102	3.0
122.03787	1.0
125.02463	1.6
125.06081	3.6
127.03999	0.8
129.01932	1.3
133.06560	1.2
141.05579	7.6
150.14952	1.0
151.11324	0.8
153.01936	2.7
154.02715	1.7
169.05075	50.5
170.05392	1.4
170.61157	0.7
177.05452	0.9
178.06253	1.3
179.07155	1.7
181.01405	2.0
181.05135	1.1
182.02203	6.1
187.07660	2.0
193.08765	3.9
195.06599	5.6
203.10800	10.6
204.11188	1.3
209.04550	0.9
209.08447	0.8
221.08368	1.2
223.06157	3.9
224.06911	39.4
225.07242	2.2
261.11227	2.0
327.16443	1.0
330.17615	0.9
345.17130	3.4
355.15625	1.4
373.16568	100.0
373.26526	4.3
374.16980	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1656
Annotation	Liliflone
Peak:m/z	Relative Intensity
52.81620	0.4
57.55441	0.4
59.01353	0.5
66.14088	0.6
81.03449	0.6
81.07092	0.9
85.06577	0.6
87.04522	1.7
101.06092	1.5
105.03500	0.6
111.04504	2.4
121.02973	0.6
123.08128	0.6
125.06096	70.5
126.06426	2.3
137.06100	2.3
149.02458	1.6
160.05257	0.5
161.06180	0.5
164.42905	0.5
165.05615	1.0
175.07681	1.0
176.04620	0.4
181.08742	1.0
183.06657	1.0
187.07634	0.7
189.05608	1.1
195.06590	2.9
203.07138	1.2
204.07919	1.9
205.08578	0.8
209.08246	0.6
215.07130	1.2
217.05075	1.5
219.06737	2.3
219.10265	3.7
221.08405	0.6
221.11739	0.8
229.08627	0.5
230.09485	7.2
231.06651	0.8
231.10248	1.9
232.07265	2.4
233.08138	0.8
245.04605	0.5
245.08128	0.6
245.11824	10.7
246.08966	1.4
246.12462	2.0
247.09822	0.9
256.07468	1.5
257.08191	1.3
259.06357	0.6
261.11304	1.5
261.15036	2.5
264.06458	1.7
271.09711	1.2
271.13571	1.0
272.10666	0.9
273.07809	1.0
274.08459	0.9
275.09286	1.2
287.12997	1.3
289.10828	37.8
290.11218	2.8
299.12906	1.1
300.09921	0.8
312.13345	0.5
313.14548	0.6
314.15500	0.7
315.12393	9.9
316.12628	0.8
329.17603	5.7
330.14767	1.7
330.18243	0.8
355.15536	3.6
373.16599	100.0
373.20413	22.9
374.16934	11.3
374.20853	2.9
398.57037	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20065	0.3
52.24073	0.4
57.18591	0.4
61.49664	0.4
69.83730	1.2
92.18346	0.5
98.22433	0.7
102.52288	0.4
106.23499	0.5
107.05017	0.7
121.47992	0.4
135.04539	25.1
136.04880	1.2
137.02440	1.3
137.06105	0.6
151.07602	0.5
163.04027	63.5
164.04805	100.0
165.05150	5.1
175.07590	3.4
178.06371	22.6
179.07150	93.4
180.07466	4.8
221.11879	0.6
223.08760	0.4
373.16635	7.4
373.23914	1.3
374.16614	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1658
Annotation	Hexahydrocurcumin
Peak:m/z	Relative Intensity
67.65020	0.9
71.05008	1.7
79.01912	1.5
80.90136	1.0
85.81244	0.9
95.05068	1.0
97.02956	2.3
99.05642	1.2
107.08656	2.8
109.06578	2.2
111.04503	11.4
123.04502	3.0
123.08166	13.1
125.02472	2.2
125.06068	3.8
139.04013	4.1
147.08141	1.6
150.03224	0.9
151.04022	5.3
153.01929	2.1
154.02681	4.2
165.01942	1.6
165.09224	9.2
166.02751	2.2
167.03481	3.9
167.07120	3.7
175.03992	1.0
177.01924	3.4
177.09245	1.3
179.07086	1.1
180.00606	3.4
181.01439	1.1
182.02219	25.7
183.02583	1.2
187.07527	1.1
189.05464	1.0
191.07091	2.4
192.07887	2.1
193.01471	5.6
193.08679	4.1
194.02158	2.4
195.02997	2.2
195.06618	4.2
205.01366	1.3
205.05113	1.5
205.08704	5.5
209.08199	25.6
217.08711	1.0
217.12315	2.3
219.06601	4.1
220.07320	2.8
221.08188	3.8
223.06163	2.2
226.01118	1.1
230.05899	1.2
233.04605	1.1
233.08267	1.1
235.06297	5.1
235.09769	18.7
236.06790	2.7
237.07707	4.6
238.08481	100.0
239.08868	6.5
247.06078	1.8
247.09665	1.3
248.06911	29.0
249.07251	2.7
257.11682	1.0
261.07419	1.2
261.14975	1.6
263.12738	1.2
302.73380	1.1
303.12103	1.1
305.13785	1.6
311.16821	1.2
315.08774	8.7
316.08981	1.2
327.16174	2.1
329.17493	2.6
343.19431	1.3
345.17053	9.8
346.17249	1.5
355.15460	10.6
355.19077	1.5
356.15906	1.2
373.16476	99.7
373.20377	36.2
374.16812	11.5
374.20721	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	373.166
Annotation	Hexahydrocurcumin
Peak:m/z	Relative Intensity
57.03436	1.2
59.01358	1.6
60.50388	0.5
62.30537	0.5
71.01379	0.7
71.27789	0.6
73.02950	0.6
75.00853	1.2
79.82969	0.5
79.95752	0.6
83.01375	0.8
83.05047	0.6
87.04546	0.6
95.05022	0.9
97.06582	1.5
107.05048	1.5
108.02193	2.5
109.02952	1.6
111.04504	0.7
111.08161	3.2
119.05048	0.6
123.00914	1.3
123.04539	1.2
124.01703	0.9
125.02455	0.7
125.09733	5.3
134.03786	0.9
135.04539	23.1
136.01665	1.3
136.04855	1.0
137.02472	2.4
138.03209	0.8
139.11263	1.1
149.06096	0.9
150.03258	0.7
151.04008	3.0
154.02728	0.7
155.10808	0.9
163.04028	62.2
164.04807	100.0
165.05119	4.9
166.02750	0.9
171.10358	0.9
173.08189	3.3
175.07655	3.3
177.01988	0.8
177.05542	4.1
178.02785	1.8
178.06374	23.6
179.03795	3.7
179.07150	95.3
180.04153	0.8
180.07498	4.6
185.08057	0.6
185.11804	1.5
187.09787	3.7
191.07101	0.8
193.05075	1.4
194.05811	1.1
203.09314	1.0
205.05025	2.3
209.11874	0.6
215.13051	0.9
222.05336	8.6
222.07280	0.8
223.06123	22.0
224.06480	1.2
237.18701	0.8
244.16624	0.5
249.04059	0.9
265.04245	0.6
281.17633	1.0
299.18854	1.5
300.53391	0.5
301.20316	1.7
308.10239	0.7
329.13989	0.7
329.23492	0.9
343.24979	0.6
358.10400	0.6
358.14352	2.1
373.09113	10.9
373.16260	11.6
373.26074	19.5
374.09872	1.7
374.16983	1.1
374.26413	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2021
Annotation	12-Deoxy-7,7-dimethoxy-6-ketoroyleanone
Peak:m/z	Relative Intensity
50.20575	0.3
50.21051	0.2
57.03450	0.3
59.01394	0.6
61.71601	0.3
62.04138	0.3
66.69774	0.3
66.84144	0.2
68.62087	0.3
71.28304	0.3
85.06590	0.7
85.58275	0.3
87.04523	2.3
95.05054	0.4
109.02974	0.3
110.35464	0.3
111.03849	0.4
111.04546	4.2
113.09720	0.8
121.06616	0.3
122.03735	0.9
123.00911	0.3
123.04517	0.4
123.08201	0.4
125.02493	0.5
125.06148	2.0
125.09726	0.7
135.04547	0.4
137.06088	4.3
138.03345	0.4
149.02466	0.4
151.03954	0.4
159.08153	0.3
164.04785	0.5
165.65399	0.3
166.02725	0.6
166.06418	0.6
175.07742	0.3
177.05566	0.8
177.09190	0.3
179.07155	0.4
181.05066	0.5
181.08743	0.8
183.06633	0.4
189.05608	0.4
193.05025	0.4
195.06619	3.2
201.05627	0.5
201.09103	0.5
203.07175	3.3
204.07819	0.4
207.02989	0.7
209.04602	0.9
216.08008	0.6
217.04945	0.4
217.08653	0.3
218.09477	0.8
219.06558	0.6
219.10225	0.6
221.08255	1.0
227.14383	0.5
228.11476	0.3
229.05159	0.8
231.10287	8.5
232.10603	0.6
237.04074	0.8
243.13828	0.3
245.08223	0.7
245.11815	1.1
246.12605	4.3
247.13045	0.6
248.10440	0.5
257.04590	0.9
257.08240	0.6
259.09717	1.0
261.07529	0.3
261.14972	11.1
262.15359	1.3
271.10422	0.5
271.13400	3.2
272.07156	0.5
272.10547	1.6
272.13586	0.8
273.11237	0.7
285.07535	0.4
287.09534	0.8
287.12936	2.3
288.10190	0.4
289.10760	0.6
299.09256	0.5
300.10065	3.0
301.10519	0.4
301.14703	0.7
301.17966	0.5
309.20462	0.4
315.12393	37.6
316.12766	4.3
327.21924	1.0
329.17703	0.4
330.14728	7.4
331.15265	0.8
343.00946	0.6
355.15479	0.4
373.10425	1.9
373.16556	5.1
373.20261	100.0
374.16983	0.7
374.20609	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	373.202
Annotation	12-Deoxy-7,7-dimethoxy-6-ketoroyleanone
Peak:m/z	Relative Intensity
52.18096	0.7
57.03451	3.9
59.01377	2.3
71.03286	0.6
71.31611	1.2
83.01409	1.2
83.40453	0.6
85.02936	2.2
99.08173	4.6
101.06071	1.8
109.06593	1.2
111.00871	1.5
111.04527	2.0
113.02489	1.3
123.08182	0.8
125.06083	7.9
135.08237	0.8
137.09729	0.9
139.04031	1.0
151.04005	1.2
151.16611	0.7
161.06029	1.5
163.07692	0.7
165.01921	2.1
166.02603	0.8
175.07603	0.9
176.81845	0.8
177.01971	1.0
178.06374	0.7
179.07190	4.6
179.10757	1.8
189.05597	1.0
192.07909	0.9
195.02977	4.7
195.06635	5.0
197.08197	8.2
204.07993	0.8
205.05080	1.0
205.08736	2.4
207.06609	1.3
208.07396	1.9
219.06625	3.3
219.10202	1.8
220.07315	1.2
221.08157	2.0
223.09724	6.6
229.12335	1.0
233.08202	1.0
235.09676	3.1
237.07686	1.2
238.08543	1.6
243.06506	0.8
243.10277	2.0
243.13945	1.3
244.07402	1.6
245.11902	1.9
246.12506	1.2
247.09807	1.4
247.13284	1.0
255.30241	0.7
259.13403	1.9
261.14969	2.9
262.12143	4.1
262.14645	0.8
263.12888	8.7
263.82977	0.8
264.13571	0.7
273.11029	1.0
287.12915	7.9
288.13406	1.0
289.14645	1.1
290.11816	0.8
303.15869	3.8
305.13962	10.7
306.14243	1.4
313.18149	1.8
315.12469	0.9
325.56451	0.7
327.19522	0.8
331.19131	0.9
355.19223	7.7
356.19913	0.9
373.20224	100.0
374.20538	12.7
377.27655	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2234
Annotation	Myrsinionoside A
Peak:m/z	Relative Intensity
56.20957	0.6
57.03432	1.0
69.66943	1.2
69.67332	1.5
97.06586	2.5
98.22563	1.2
108.10384	0.5
109.02936	0.7
111.04491	1.5
117.27892	0.5
123.08154	2.2
125.09730	14.8
126.10036	0.7
127.11298	2.4
135.04561	0.7
137.09726	2.4
139.04044	0.7
139.11287	0.9
151.04047	0.8
153.09262	0.9
155.10786	29.5
156.11096	1.1
171.10284	33.0
172.10620	0.9
173.11833	29.7
174.12158	1.2
175.07608	0.7
181.08728	0.6
181.52655	0.6
187.09782	2.5
199.09723	2.1
203.12846	1.9
217.10806	4.2
293.21237	2.6
293.40167	0.6
311.22104	0.6
315.12384	1.6
325.11234	0.6
327.21674	1.6
329.14014	1.2
331.46994	0.6
340.13016	1.3
355.15842	2.8
355.21246	2.1
358.14038	0.7
373.09402	5.4
373.22318	100.0
374.22638	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	373.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46678	1.2
57.03449	5.9
59.01095	2.1
59.01384	37.3
67.98015	1.2
69.03408	1.1
70.25467	2.9
70.25834	2.8
83.05038	3.7
85.02929	1.3
89.02458	2.7
89.49053	1.3
93.03464	1.7
95.01411	2.0
97.06606	3.6
98.21877	1.5
98.77729	1.2
99.17706	1.4
108.02196	9.8
109.02983	3.5
109.06590	1.5
111.00912	3.6
111.04564	2.7
111.08164	14.4
112.89780	1.2
116.40251	1.3
117.86078	1.3
123.00907	5.3
123.04553	6.9
123.08181	1.6
124.01706	5.1
124.94108	1.3
125.02486	2.4
125.09727	16.9
135.04535	1.3
136.01660	2.4
137.02463	3.4
137.09698	2.8
139.11308	49.8
140.11658	2.3
141.09198	1.9
149.02452	2.8
151.04002	2.3
152.01093	1.9
155.10757	5.0
157.08746	8.0
159.10236	6.6
163.03946	2.5
164.04817	3.6
167.19398	1.5
169.12366	4.6
171.10275	11.3
173.11848	7.1
175.07695	2.4
177.01929	5.2
178.02750	7.8
179.07155	4.3
180.04318	3.2
183.10274	22.3
183.13911	1.9
185.11826	5.2
191.07158	7.3
192.04279	2.7
193.05153	9.3
195.06627	2.3
201.11293	12.3
202.11690	1.6
219.06654	2.0
225.07954	1.7
232.67389	1.5
259.19220	2.1
261.07574	3.4
273.20749	16.5
274.21255	1.3
293.21204	4.1
301.20209	1.5
311.22327	9.7
313.20212	32.1
313.23517	1.6
314.20511	5.1
327.23364	3.0
340.13205	2.5
345.22287	1.3
355.15601	3.5
355.21207	17.1
356.21326	1.9
358.14331	10.6
373.12708	5.9
373.16650	30.3
373.22336	100.0
373.26810	8.6
374.12405	5.6
374.16983	4.3
374.22617	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2598
Annotation	oscr#24
Peak:m/z	Relative Intensity
57.03425	1.1
58.00587	0.6
58.11546	0.3
59.01365	1.3
69.03433	0.5
69.54066	0.3
71.01366	0.3
71.05022	0.6
71.28944	0.4
73.02927	0.7
74.99062	0.3
75.00886	0.3
80.02673	0.4
81.03482	0.4
83.05011	0.6
85.02939	1.0
87.04518	1.2
95.05032	0.6
95.50281	0.3
97.06610	1.3
98.06862	0.2
108.02164	0.8
109.02932	0.8
109.20160	0.3
111.04511	1.0
111.08085	0.4
119.46095	0.3
121.02957	0.4
121.10236	1.2
123.00894	0.6
123.04562	0.5
123.08162	1.2
124.01623	0.3
125.02448	0.7
125.06065	0.5
125.09728	3.2
127.11317	0.8
135.04495	0.4
137.02457	0.3
137.09708	0.9
139.03989	0.4
139.11279	1.3
141.09232	0.9
141.12836	1.1
148.05331	0.6
149.09715	0.3
150.03244	0.6
151.03976	0.5
152.01154	0.3
155.07103	0.7
155.10815	0.8
157.12387	1.4
162.03079	0.3
163.04056	0.6
163.07643	0.8
164.04832	0.4
165.05457	0.5
166.02635	0.3
169.12296	0.9
171.10287	2.2
173.11844	0.7
179.03455	0.4
179.07095	0.4
181.05096	1.3
183.06575	1.6
185.08194	0.5
185.11842	2.9
187.09810	1.8
193.05084	0.5
195.06650	0.5
199.24944	0.4
201.11234	0.6
207.02956	0.5
209.04553	0.8
213.11308	0.5
215.12892	8.9
216.13258	0.5
223.06094	0.5
225.15100	0.3
243.15997	0.5
254.06178	0.7
254.56213	0.5
307.22708	0.4
313.23871	1.8
323.62244	0.3
325.23834	1.5
341.23328	1.1
343.24915	7.7
344.25244	0.9
355.15530	0.5
355.24985	3.1
358.14130	0.4
371.24274	1.4
373.16516	3.6
373.25955	100.0
374.17026	0.5
374.26306	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	374.1324
Annotation	ZM323881
Peak:m/z	Relative Intensity
54.75496	1.6
55.97849	1.8
61.98845	1.9
68.96156	7.8
68.96578	10.8
75.83455	1.8
98.21729	3.9
99.92594	84.8
100.92588	4.8
106.99388	1.9
115.92075	17.0
116.92884	15.1
118.89986	55.2
119.90043	2.1
134.89500	10.6
135.90263	24.8
147.47719	1.6
150.88989	2.4
151.28897	1.8
215.99974	1.6
224.17412	1.8
338.15549	27.9
339.15778	3.7
374.13226	100.0
375.13464	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	374.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38776	17.8
54.43334	15.0
58.21070	20.4
59.01372	22.5
69.39946	100.0
111.00925	28.6
146.82927	18.7
274.98602	20.6
313.48770	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48648	8.0
57.03451	9.4
59.01378	35.4
69.03477	7.7
71.01379	31.4
72.99320	10.0
83.01394	11.9
83.04998	8.9
85.02976	15.1
93.03456	9.9
95.01341	8.8
101.02466	19.1
108.02208	8.2
109.02943	33.4
116.65258	7.8
121.02980	11.7
123.01023	7.9
123.04549	31.7
125.02441	21.1
137.02432	12.9
138.03259	10.9
149.02461	20.7
151.03987	17.6
159.04518	13.6
161.42102	8.6
163.04013	10.3
164.04813	15.2
167.03494	10.2
169.01459	11.5
179.03488	10.9
198.03171	9.1
201.05602	9.3
213.11365	36.8
217.00351	22.9
243.06679	74.8
253.05135	11.1
265.05215	12.4
268.07269	10.7
270.05371	14.8
272.10358	18.3
283.09839	12.1
284.10074	11.3
285.07639	30.7
287.13318	16.7
301.10718	22.6
327.08826	18.8
327.12253	9.5
331.08395	14.1
331.11981	32.0
359.65100	9.0
375.04544	10.2
375.10138	13.1
375.16312	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
68.70403	14.2
71.01387	64.4
71.28551	19.5
75.00056	12.9
85.02988	14.3
89.02455	43.2
98.89381	13.6
101.02448	43.7
111.66891	13.7
113.02459	21.1
119.03505	18.0
131.71240	16.2
151.11281	28.8
161.04486	19.9
166.58421	12.1
178.02681	16.3
191.58803	13.9
195.10324	27.2
201.33849	12.4
213.11247	16.9
226.11655	19.0
273.32431	16.0
331.17633	19.8
369.31445	13.9
374.26395	28.8
375.27454	63.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.8
60.26110	0.3
68.98994	1.2
68.99413	1.6
92.61326	0.3
96.96020	7.2
98.21700	0.7
101.06096	1.1
103.02145	0.4
105.47670	0.3
117.51796	0.3
124.07712	0.5
150.77353	0.4
169.36743	0.4
174.99289	0.5
189.10362	0.7
217.00287	1.1
232.10915	10.0
233.11241	1.1
289.17932	1.7
290.18729	3.4
316.16684	1.8
358.21533	0.9
374.24506	100.0
375.18509	2.5
375.24899	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	375.0935
Annotation	capsazepine
Peak:m/z	Relative Intensity
55.01872	1.1
57.03436	1.0
59.01104	0.9
59.01387	16.9
61.98821	0.8
67.01880	1.6
69.03414	0.5
70.60469	1.4
71.01385	7.7
72.99302	1.4
73.02930	2.3
75.00890	0.7
78.95885	0.8
79.01916	0.8
81.03462	0.7
81.30172	0.6
83.01379	2.2
85.02950	4.7
87.00893	1.6
89.02446	3.1
95.01387	2.9
97.02955	0.9
99.00887	1.9
101.02451	7.5
107.01397	5.0
111.00867	2.6
113.02472	3.0
119.03503	0.8
123.00008	1.2
123.00900	21.3
123.04556	1.2
124.01729	1.1
125.02460	17.5
131.63730	0.6
136.98831	1.4
137.02440	1.3
138.03246	20.9
139.00381	6.5
140.01173	3.0
141.01944	2.4
148.50464	0.6
151.00380	12.4
152.00702	0.7
153.01944	1.4
153.05583	13.4
161.04584	1.2
168.00667	4.0
169.01447	19.9
170.02116	1.9
174.76541	0.7
174.99223	3.5
179.03485	0.8
180.04280	1.1
195.06621	0.8
198.05382	1.2
211.06102	0.6
213.04044	2.0
213.07706	10.2
217.00298	13.3
218.00522	0.7
313.05753	1.7
375.09283	100.0
375.12961	6.3
376.09689	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	375.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62169	1.3
55.01871	2.2
57.03426	3.9
58.00579	1.8
59.01382	46.8
61.42423	1.3
61.98825	1.7
63.02390	1.4
67.01874	1.8
68.15873	1.2
68.99809	4.0
69.03451	2.3
71.01386	33.2
71.28372	2.2
72.99301	7.9
73.02928	5.3
74.99092	2.3
75.00879	22.7
81.03024	1.9
81.03463	24.4
83.01374	3.6
85.02482	2.3
85.02956	28.7
87.00875	11.1
88.54439	1.4
89.02460	13.4
91.51486	1.3
93.03436	3.0
95.01393	7.0
95.04997	1.5
97.06606	1.3
99.00885	14.7
101.02464	6.9
103.00358	3.0
107.74145	1.3
109.02981	2.7
111.00853	3.1
111.04444	1.4
113.02458	32.0
115.00385	2.6
117.01914	4.1
119.03502	3.8
120.99640	1.4
123.04514	1.4
125.02455	63.7
126.02803	1.7
129.01953	3.5
135.98376	1.7
138.03207	4.1
139.00313	2.0
149.06071	3.9
151.04047	1.5
151.07652	1.5
153.05582	2.4
154.02699	1.6
157.01451	1.3
161.02486	2.0
161.04601	1.2
169.08690	1.9
175.02422	2.0
178.99831	4.3
181.05061	1.7
185.08206	1.7
187.04094	1.4
189.04178	1.4
193.14943	1.5
195.06544	1.4
197.00972	6.2
201.11371	1.4
212.03204	3.8
213.07622	5.3
231.05072	8.8
237.03967	1.4
241.08725	1.7
249.06161	100.0
250.06476	4.5
259.11731	3.5
282.73383	1.4
331.08218	2.1
331.14288	1.3
332.89301	1.2
337.05527	2.0
343.10089	3.0
367.31955	1.3
375.04440	2.7
375.09216	48.7
375.13025	2.2
375.16565	2.5
375.20197	4.6
376.09692	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	375.1087
Annotation	5,2'-Dihydroxy-6,7,8,6'-tetramethoxyflavanone
Peak:m/z	Relative Intensity
56.65088	1.2
58.21118	1.0
59.01373	3.5
71.01382	1.7
71.29916	1.9
73.98313	1.3
74.01698	1.4
74.99102	30.3
75.71590	1.2
81.03481	1.3
83.01375	1.5
85.02932	2.4
87.00870	2.1
88.02400	1.1
90.75496	1.1
96.70444	1.1
108.02186	100.0
109.02957	4.9
109.06596	1.8
111.04520	5.5
119.05027	4.3
120.99603	1.8
121.02924	1.3
121.06599	5.1
123.04536	57.7
135.04510	5.5
136.01685	2.5
136.99161	29.0
137.02437	4.2
137.06116	7.2
147.04497	3.5
149.06065	8.1
150.03166	1.3
151.04004	2.3
151.07683	2.4
159.04471	1.2
162.03217	3.3
163.04079	8.4
164.01100	2.1
165.01996	6.0
165.05559	6.6
172.62186	1.2
175.03996	6.8
177.05537	4.0
178.02614	1.8
179.03561	1.4
180.04276	1.7
181.05078	2.3
191.03473	4.9
193.03320	2.8
193.05070	42.2
195.06654	7.0
195.14066	1.2
203.03511	14.2
204.08006	1.6
205.05150	1.3
219.02943	2.9
219.10239	3.3
221.04558	98.1
222.04863	5.7
225.04089	4.5
251.05606	21.1
252.05779	1.7
287.09317	1.8
287.13339	1.6
312.09943	1.6
315.08621	1.6
345.09802	41.2
346.10123	3.7
375.10849	62.4
375.14438	3.3
375.20001	3.9
375.27499	5.4
376.11258	6.7
382.91412	1.3
398.77356	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.4
58.54834	1.0
58.99583	1.3
59.01384	100.0
60.01728	1.5
63.96240	1.9
71.01392	12.0
72.99314	2.5
73.02943	3.3
74.99106	6.5
81.03432	1.9
85.02948	4.9
87.00895	1.5
89.02465	1.5
95.01385	1.5
95.05055	2.0
97.02961	2.6
99.00848	1.0
99.04550	1.3
101.02474	6.2
109.02953	4.3
113.02453	4.3
123.00927	10.3
125.02469	7.8
135.98369	5.7
136.99155	3.4
137.02440	6.8
138.03247	12.0
139.03900	1.2
149.02505	1.7
151.04054	1.3
151.07698	1.7
153.05606	7.3
157.06673	1.3
161.02489	1.4
161.04594	12.9
165.01939	2.7
167.03525	6.2
167.04807	1.0
169.06639	3.6
169.08713	2.1
174.99245	1.8
177.01921	2.0
189.05547	1.2
213.05547	1.6
217.00333	6.6
239.07423	2.6
241.05229	1.5
259.06091	4.4
285.04025	2.5
293.12451	2.1
300.99921	1.6
303.05164	14.7
315.10580	1.1
321.06158	3.8
375.05151	1.2
375.11334	1.4
393.62000	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1298
Annotation	4-Methylantirrhinoside
Peak:m/z	Relative Intensity
58.40993	0.4
59.01377	1.6
64.92839	0.4
70.62673	0.8
71.01375	0.4
79.28257	0.5
91.50349	0.4
137.02451	1.7
138.03238	80.4
139.03575	2.1
153.05586	55.1
154.05911	2.8
156.11505	0.5
170.02220	2.8
174.99295	0.9
179.03494	0.7
180.04321	0.8
195.06580	0.8
198.05345	9.3
199.05800	0.5
213.07695	100.0
214.08046	5.3
217.00285	1.8
247.33195	0.5
368.48471	0.5
375.13113	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99290	3.5
54.06946	3.5
59.01091	5.9
59.01380	100.0
63.38318	3.1
64.21484	3.4
69.57632	14.5
71.01393	51.1
72.99305	4.5
75.29387	3.5
81.77185	3.4
85.02944	9.6
87.00893	5.0
89.02449	68.3
95.01385	5.0
98.22526	4.2
100.64834	3.6
101.02449	22.2
101.03041	4.5
113.02494	19.4
117.03454	7.2
119.03503	23.8
123.04544	5.3
133.03049	3.9
137.02431	7.7
145.01892	6.1
145.02953	35.0
146.03716	6.6
147.04425	10.5
150.03207	11.4
153.05525	3.9
161.02440	36.2
161.04469	5.5
162.03232	44.3
165.05563	15.9
173.95111	4.0
174.99265	9.1
177.05600	22.0
178.57791	3.5
180.04311	25.8
183.06676	4.1
195.06624	21.2
213.07703	27.2
217.00294	35.7
255.01616	4.2
277.52283	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	375.1299
Annotation	4-Methylantirrhinoside
Peak:m/z	Relative Intensity
50.00578	6.2
50.99664	5.6
52.94243	5.5
59.01380	100.0
69.73830	19.4
71.01376	49.0
72.02641	6.0
73.08344	6.0
80.32356	5.4
85.02934	13.1
87.00862	5.8
89.02445	60.6
91.90917	5.4
101.02436	13.0
104.34049	5.4
113.02448	18.0
117.03461	8.4
119.03503	23.6
137.02414	31.2
145.02965	23.1
146.03764	10.0
147.04521	7.2
149.02438	7.9
150.03253	13.7
160.93495	5.5
161.02463	28.5
162.03221	37.0
165.05574	27.2
174.99205	7.3
175.81166	6.1
177.05547	15.0
180.04289	95.2
195.06670	45.7
213.07677	50.2
217.00304	38.9
275.04163	6.1
275.29636	6.5
375.12915	11.6
397.25919	5.9
398.13812	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	375.13
Annotation	4-Methylantirrhinoside
Peak:m/z	Relative Intensity
53.76324	0.4
59.01392	3.4
70.57938	0.8
85.22145	0.4
86.06581	0.5
95.01398	0.6
98.06489	0.5
98.37509	0.5
109.02960	1.5
125.01595	0.6
125.02410	2.5
133.72733	0.5
137.02455	39.2
137.99577	1.5
138.03319	3.7
139.00417	0.8
151.04012	1.6
153.01962	1.2
153.05583	1.2
154.02791	0.4
165.01929	2.2
167.03505	1.8
169.01488	1.1
170.02319	0.5
174.99226	0.5
177.02061	0.5
177.05609	1.1
179.03471	0.8
180.04298	100.0
181.04617	4.6
195.06639	62.6
196.06952	3.6
197.00946	2.0
213.07706	35.8
214.08029	2.1
214.99860	0.5
217.00323	2.9
253.40880	0.5
259.06097	0.6
300.99780	0.7
303.05127	1.5
360.06863	0.8
375.09009	1.9
375.13007	6.2
381.10791	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03408	1.0
59.01381	3.3
63.40049	0.8
71.01392	2.2
83.50264	1.0
85.02911	0.8
87.00910	1.3
89.02448	1.3
95.01411	1.6
98.22616	1.7
108.02179	25.1
108.50094	0.9
111.04575	1.4
121.02919	1.1
123.00898	3.1
123.04539	11.8
124.01668	2.0
125.02455	2.4
125.09666	1.3
135.04504	1.6
136.01646	5.9
137.02441	1.4
139.00330	1.4
148.05319	100.0
149.05666	4.5
150.03232	1.4
151.00288	1.2
151.04057	2.2
157.08722	1.3
163.04025	2.4
163.07663	80.2
164.04802	0.9
164.07964	4.0
168.00407	1.3
169.01379	2.4
178.02721	49.7
179.03096	2.8
180.04189	1.6
181.05045	4.3
193.05067	95.9
194.05444	5.9
200.08235	0.9
207.06662	1.7
211.02489	2.2
211.08710	1.2
228.11731	1.1
241.03546	3.6
287.09171	1.3
299.09326	1.1
318.08417	1.5
375.10428	1.3
375.14362	5.1
375.19092	4.0
375.27454	5.0
376.14780	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72453	0.4
55.82548	0.4
59.01376	1.1
67.36641	0.4
104.96702	0.5
108.02186	100.0
109.02448	3.2
117.03472	0.5
121.06596	1.4
123.00929	0.8
123.04542	58.3
124.01676	0.8
124.04852	2.6
125.02456	1.2
125.09747	0.8
133.06609	1.3
135.04523	2.1
137.02461	0.5
137.06096	0.8
139.00385	0.6
141.09271	0.4
146.03726	0.7
148.05321	3.4
149.06094	8.3
155.29680	0.5
162.03256	2.7
163.03986	3.7
163.07619	2.3
164.04832	4.6
169.01421	1.4
175.07686	1.3
176.04811	2.6
177.05586	25.5
178.02762	1.0
178.06035	1.4
179.07166	3.1
180.04280	0.6
181.05054	1.6
187.09781	0.7
191.03508	4.3
191.07150	10.4
192.07492	0.8
193.05064	1.2
201.05612	0.7
204.04286	2.1
207.06628	0.7
213.05519	0.7
219.06642	92.4
220.06960	6.1
241.03638	2.3
251.09271	7.0
252.09525	0.7
308.32538	0.5
318.08505	0.7
343.11899	17.5
344.12317	2.2
357.13620	1.1
375.14389	4.6
375.17972	0.6
375.27451	8.7
376.14798	0.8
376.28009	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17194	0.7
56.34960	0.7
57.03449	1.1
59.01366	2.9
65.86444	0.7
81.03453	1.2
87.13821	0.7
93.03456	2.2
95.11972	0.7
107.05038	1.0
108.02198	4.0
109.02965	2.7
109.06594	0.8
111.04504	1.9
121.02948	3.1
123.00849	1.1
123.04540	4.3
124.01675	1.1
125.02467	1.1
125.06100	0.9
125.09736	1.8
127.11295	0.7
135.04552	5.5
136.01651	0.8
137.02438	2.7
141.09244	1.5
143.10791	0.8
145.02957	1.2
148.05287	3.0
149.02435	8.2
150.03136	0.9
151.04019	21.4
155.10771	1.0
157.08687	1.4
161.02417	1.2
162.03235	24.7
163.03996	4.2
163.07646	3.2
164.04802	22.2
165.05420	1.3
171.10246	1.1
176.98697	0.7
177.05542	5.4
178.02739	1.9
179.03513	50.3
179.07098	11.4
180.04291	64.6
181.04749	2.6
184.25188	0.7
191.10657	1.2
193.05049	3.3
194.05841	25.4
195.06625	100.0
196.06992	5.6
201.11317	1.5
209.08160	1.1
262.52710	0.8
299.12915	3.3
313.20285	0.9
315.18140	1.7
327.09015	0.8
329.23367	2.1
341.91272	0.8
357.13571	0.9
357.19089	1.0
357.26370	2.5
373.25989	2.1
375.14264	9.7
375.19089	5.8
375.27551	65.8
376.27853	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	375.1451
Annotation	threo-Guaiacylglycerol beta-coniferyl ether
Peak:m/z	Relative Intensity
59.01363	5.9
62.58030	1.5
67.01884	1.8
68.99085	12.5
68.99825	16.1
71.01378	2.4
92.28428	1.3
92.59537	1.3
95.01368	2.0
96.95991	2.3
107.01442	2.0
108.02184	53.2
108.02931	3.0
109.03004	9.7
117.03465	5.5
120.54077	1.5
121.02965	16.5
122.03769	9.0
123.00894	20.5
123.04537	46.8
124.01630	1.5
125.02452	3.9
132.02214	9.6
133.02972	7.3
135.04503	3.6
136.01637	3.1
136.73936	1.3
137.02487	1.6
138.03235	30.6
139.00430	1.5
147.04523	4.8
148.01646	3.2
149.02428	6.1
149.06020	1.6
150.03236	28.4
151.03925	2.0
153.05518	2.2
160.01698	1.9
161.02463	16.3
162.03242	35.1
163.04022	15.3
164.01196	1.7
164.04648	1.4
165.01927	6.1
165.05550	3.4
166.06369	32.0
167.03430	1.7
167.06770	1.5
172.83826	1.3
177.04080	3.2
177.05592	55.6
178.01199	3.2
178.02730	62.6
178.05907	3.0
179.03497	15.7
181.05014	1.5
181.08714	11.7
182.08884	1.3
193.05078	89.0
194.05548	4.8
209.62868	1.5
217.00233	4.1
221.08217	4.9
271.09772	1.5
285.11163	1.4
319.44638	1.4
330.11060	2.6
330.15881	1.4
345.13461	20.5
363.11810	1.6
375.14471	100.0
375.27274	5.7
375.60278	2.2
376.14630	10.3
389.86444	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.1
56.26786	1.3
57.03436	3.5
58.00587	4.4
59.01381	100.0
59.31348	1.3
71.01383	59.0
72.99300	5.0
73.02949	8.0
83.01395	4.7
85.02949	18.4
87.00876	5.2
89.02447	59.6
95.01402	6.6
98.22549	2.4
98.69328	1.2
99.00874	2.8
99.04585	1.1
101.02451	41.0
101.03124	2.2
108.02232	2.9
111.00903	3.9
113.02454	27.5
115.12289	1.2
119.03512	33.5
119.04931	1.7
120.03814	1.5
120.99666	2.7
123.04550	2.1
125.02428	2.5
131.03543	3.9
137.02484	1.9
143.03487	3.1
149.02451	1.3
149.04506	2.2
151.11279	1.7
159.03020	1.9
161.04491	6.5
169.12360	2.1
177.09280	2.1
179.03569	1.3
179.05629	4.4
195.06711	2.3
195.10339	1.9
206.45630	1.2
213.11278	1.9
247.72942	1.3
288.08945	1.4
313.07303	1.5
343.52136	1.3
357.15628	7.8
369.86606	1.4
375.16605	63.3
376.16876	7.3
399.03754	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1816
Annotation	NORCAESALPININ E
Peak:m/z	Relative Intensity
57.03444	1.9
59.01373	3.5
71.89500	0.7
80.66405	0.7
81.03425	0.8
85.02950	5.0
85.06602	2.2
87.04514	2.9
88.10697	0.9
95.01382	3.0
95.05018	5.8
97.02967	1.2
98.21700	1.3
109.02961	1.7
111.00928	1.1
111.04524	13.0
111.08158	2.1
113.02463	13.2
113.06087	1.5
122.68207	0.9
123.04581	1.3
123.08174	1.2
125.02467	6.6
135.08153	1.1
137.02371	0.9
137.09709	5.0
138.03210	2.2
139.04047	7.7
139.07632	4.4
149.09761	1.1
150.03239	1.8
151.00430	1.6
155.07162	2.2
163.07582	1.5
165.05582	8.1
165.09300	1.2
166.02715	3.0
166.06381	3.7
167.03529	3.7
172.13689	0.7
177.01932	3.1
177.05606	2.7
178.06285	2.0
179.07167	2.4
181.05058	1.1
181.08731	4.2
183.06631	22.4
184.06999	1.0
193.08694	4.0
194.05853	1.8
195.06638	17.9
204.04153	0.8
207.06635	12.6
207.13828	0.9
209.08247	0.8
219.06528	1.3
219.13943	1.0
220.07404	2.8
221.08044	1.1
222.08961	3.4
223.06261	0.9
223.09436	1.0
224.06831	1.1
225.07703	8.6
237.07706	6.0
245.11789	1.4
247.09775	1.0
271.16962	1.0
315.15988	3.6
333.17099	1.1
357.17108	7.1
375.18103	100.0
375.21857	5.7
376.18414	14.8
376.22491	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1813
Annotation	Glaucogenin A
Peak:m/z	Relative Intensity
50.02701	0.5
52.19032	0.4
55.01870	1.6
57.03440	0.6
65.85736	0.4
67.40148	0.3
68.99802	0.5
71.06859	0.4
78.05859	0.4
79.01888	1.6
81.03442	0.4
85.06620	0.8
87.04523	3.0
88.97959	0.3
90.89938	0.4
95.05031	0.8
95.89235	0.4
97.02944	0.9
98.22552	1.5
99.00852	0.5
107.44095	0.4
108.02179	0.7
109.02938	0.6
111.00863	0.6
111.04523	14.8
112.04879	0.5
118.89331	0.3
123.04554	0.8
123.08175	6.5
124.01659	1.7
125.02457	9.9
125.06047	0.5
126.02779	0.6
127.00368	0.9
135.04478	0.4
135.64977	0.4
137.09714	0.6
139.04025	16.5
151.00369	2.3
151.04079	0.6
151.07555	0.7
152.01224	0.4
152.04762	1.0
162.69637	0.4
165.05594	3.0
167.03494	4.6
167.07144	1.5
169.05061	1.2
177.05576	10.3
178.05910	0.9
179.07118	2.8
180.04272	1.8
181.05048	1.2
184.03783	1.0
192.07901	0.5
193.05031	1.2
193.08737	0.9
194.05864	0.6
195.06630	42.1
196.07021	2.2
197.08208	0.7
198.05463	0.4
207.13847	2.4
208.07451	3.3
209.08162	3.6
212.06880	1.8
219.13908	0.8
237.07712	1.3
243.13931	1.0
263.09268	0.6
269.11841	1.4
273.11337	0.7
275.12982	0.6
303.19656	0.7
313.18140	3.1
314.18790	0.4
320.90625	0.4
331.19150	1.5
347.18674	2.2
375.18100	100.0
376.18393	12.3
376.22800	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1816
Annotation	Glaucogenin A
Peak:m/z	Relative Intensity
53.10209	0.4
54.15185	0.4
55.01861	0.6
55.91867	0.4
59.01381	0.7
68.62476	0.4
68.99820	1.0
69.02868	2.7
69.03294	1.0
73.62603	0.4
74.90889	0.4
76.12184	0.4
79.01886	1.6
81.03503	0.6
81.08913	0.4
85.02959	0.5
85.06621	0.4
87.04517	0.9
97.02932	0.7
107.05006	0.4
109.02966	0.8
111.00935	0.4
111.03751	0.7
111.04524	12.6
115.05541	0.6
123.00845	0.5
123.04511	0.4
123.08173	1.4
124.01669	0.9
125.02437	1.9
125.06069	0.9
133.06615	0.7
135.08250	0.6
139.04016	3.8
146.35132	0.4
147.08176	0.7
149.06076	0.4
150.06894	0.6
151.00348	2.0
151.04005	0.8
152.04863	0.5
155.07132	0.8
165.01920	1.0
165.05630	3.2
165.09077	0.4
166.02676	0.4
166.06314	1.1
173.06081	0.5
177.05595	2.8
179.03444	0.5
179.07156	6.8
179.10699	2.2
180.04170	0.8
181.08708	0.7
191.07141	0.9
193.05069	1.2
193.08771	0.9
194.05789	4.0
195.06619	10.0
196.06964	0.7
198.05438	2.1
201.05540	0.5
207.06638	1.6
208.07408	5.5
209.08191	7.2
212.06912	1.8
212.87820	0.4
214.97711	0.4
219.06702	0.7
219.10239	1.3
221.08221	0.6
223.06262	0.6
223.09764	12.2
229.08667	2.6
230.09233	0.4
235.09752	0.7
243.10211	1.1
244.11041	1.3
245.11665	0.7
247.09760	8.3
248.10313	1.0
261.11295	1.2
291.08752	0.6
306.11093	3.1
313.18124	1.5
323.26260	0.5
338.10049	1.3
347.18597	1.1
375.18143	100.0
376.18503	12.1
376.22083	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1813
Annotation	Glaucogenin A
Peak:m/z	Relative Intensity
55.01878	0.6
56.79596	0.3
57.03440	1.0
59.01375	1.1
67.01897	0.3
69.03429	0.4
79.01887	1.1
81.03452	0.8
83.05002	0.8
85.02943	0.5
85.06581	1.1
87.04524	1.9
93.03477	0.6
95.01439	0.4
95.05027	1.0
105.07114	0.4
107.05048	0.5
107.50621	0.5
109.02962	0.8
109.06590	1.3
111.00909	0.9
111.04523	6.6
113.06094	0.6
121.02946	1.2
121.06605	0.4
123.04537	0.4
123.08173	7.3
125.02431	0.7
127.07675	0.6
133.06618	1.1
135.04568	0.8
135.08076	0.6
137.02458	0.6
137.05972	0.4
138.03230	0.8
139.04010	1.6
149.02509	0.4
149.06087	2.8
149.09723	2.2
151.00395	1.2
151.04015	1.0
151.07642	0.7
155.07217	0.5
161.06055	0.4
161.09766	0.6
163.04134	0.4
163.07607	0.9
164.08348	0.6
165.01932	1.5
165.05602	0.7
165.09196	2.5
166.02736	2.0
166.06317	0.6
167.07162	2.5
167.10765	1.0
173.06091	0.3
175.04012	0.6
175.07603	0.8
177.05611	5.7
178.02678	1.0
178.06116	0.3
179.07184	1.0
179.10770	1.3
179.22099	0.4
180.04204	0.4
181.05133	1.7
191.07190	0.5
192.07816	0.4
193.05061	3.0
193.08754	0.7
194.05843	1.0
195.06679	0.9
198.05324	0.4
201.12881	0.6
205.05042	0.5
205.08614	0.5
207.06604	1.6
207.10220	0.4
208.07413	6.9
209.04523	1.2
209.08205	5.3
217.08720	0.4
217.12350	1.0
219.06581	2.2
219.13864	0.8
220.07234	0.5
221.04745	2.0
221.08192	6.1
222.05356	1.9
222.08830	0.9
226.74652	0.4
227.10799	0.7
231.10149	0.6
233.08188	0.6
235.09741	0.5
235.13417	1.1
236.13541	0.4
237.14999	0.6
243.10365	0.4
243.13905	0.4
245.11824	2.6
246.12442	0.6
248.06935	6.9
249.07237	0.9
261.11301	1.7
261.14954	1.6
262.67908	0.4
263.12885	8.0
264.13162	0.5
275.13031	0.8
287.12775	0.6
289.10818	8.3
290.11212	0.9
303.16144	0.4
304.13123	0.5
305.13965	7.1
306.14346	0.6
313.18118	0.6
331.19141	3.3
347.18869	0.5
357.16891	0.5
375.18158	100.0
376.18472	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1814
Annotation	Glaucogenin A
Peak:m/z	Relative Intensity
57.03432	2.2
59.01374	2.0
59.29894	0.9
70.00031	1.6
70.00391	1.5
85.02937	2.8
85.06580	1.8
86.99596	0.8
87.04477	1.2
95.01374	1.9
95.05030	3.1
97.02916	1.0
109.02946	1.3
109.30462	0.6
109.31339	0.6
111.04528	10.2
111.08108	0.9
113.02448	7.2
113.06102	1.1
120.38123	0.7
121.06594	1.1
123.04564	0.9
123.08191	1.6
125.02448	4.9
125.11225	0.7
137.09711	6.0
138.03246	1.4
139.07639	3.6
149.06021	1.0
150.03252	0.9
151.00378	1.3
151.07680	1.4
155.07130	1.2
163.07668	1.3
165.05562	4.8
166.06358	2.8
177.01945	2.5
177.05518	2.3
178.06381	1.7
179.07091	1.8
181.05263	0.9
181.08737	3.9
183.06622	18.4
184.07001	1.0
193.08664	2.9
194.05800	2.7
195.06630	15.3
196.06992	1.1
198.05336	0.8
201.12875	1.2
207.06657	8.9
207.13831	0.9
208.07047	1.1
219.13899	1.4
220.07401	3.4
221.08131	2.4
223.06119	0.9
225.07680	6.5
237.07693	7.2
319.58792	0.9
333.17062	1.0
357.17087	7.8
375.18134	100.0
376.18506	11.6
396.55841	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35233	0.5
52.93909	0.7
56.31392	0.8
57.03443	1.6
59.01372	2.4
60.03195	0.6
62.76569	0.5
63.62846	0.5
68.50029	0.5
69.12551	4.4
85.02961	4.2
85.06587	2.6
87.04525	2.0
92.24537	0.6
95.01396	2.4
95.05037	4.1
109.02977	1.1
109.06601	1.3
111.00898	0.7
111.04532	9.3
111.08127	1.1
113.02468	8.9
113.06104	1.3
119.74162	0.6
121.02970	0.7
121.06593	0.9
123.04499	1.3
123.08192	1.5
125.02458	3.1
137.02460	1.1
137.06090	0.9
137.09723	5.6
138.03221	1.2
139.04015	0.9
139.07683	2.9
150.03236	0.9
151.03978	1.6
151.07643	0.8
155.07130	2.1
163.07658	1.5
165.05609	5.5
165.09221	2.4
166.06432	3.1
177.01942	1.9
177.05632	1.5
178.06387	1.0
178.73181	0.6
179.03458	0.8
179.07175	2.5
181.05121	1.2
181.08653	3.6
183.06642	18.9
184.06961	0.8
193.08727	2.3
194.05836	0.8
195.06618	11.5
197.08194	1.3
203.07249	0.7
207.06622	10.7
207.13910	0.8
208.07118	0.8
209.08195	6.6
210.08559	0.7
214.67473	0.6
219.10414	0.9
219.13916	0.8
220.07423	2.5
221.08189	7.5
222.08582	0.8
225.07687	12.7
226.07959	0.8
234.26433	0.6
237.07701	6.1
245.11853	1.4
248.06909	1.1
258.40555	0.6
261.11343	0.8
313.18042	1.0
314.06790	0.5
315.15982	1.9
316.16605	0.7
333.17163	1.2
337.25137	0.6
357.17072	7.6
357.21051	0.8
375.18143	100.0
376.18503	12.2
376.22830	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.182
Annotation	Sauriol B
Peak:m/z	Relative Intensity
55.01866	0.9
57.03437	0.8
61.24676	0.5
69.09138	1.2
69.09566	3.3
73.02937	0.7
74.41755	0.6
85.02960	1.1
87.04526	6.4
87.84516	0.6
90.80196	0.5
91.33189	0.5
93.03449	0.8
95.05042	1.8
96.99312	0.6
97.02959	1.2
97.38998	0.6
99.04566	1.3
108.02168	3.8
108.23094	0.6
109.06501	0.7
111.00892	2.0
111.04541	9.2
123.04527	3.2
123.08171	0.9
124.01635	4.1
125.02457	10.3
132.86328	0.6
133.24223	0.6
135.39215	0.6
139.04025	100.0
140.04355	3.1
153.60307	0.6
159.08501	3.2
161.06471	1.1
167.03508	40.2
168.03958	2.3
172.03821	1.3
173.30989	0.6
193.08702	4.9
195.06664	0.9
205.12292	1.5
207.13913	11.1
208.14203	0.8
251.12880	0.9
275.12949	3.4
291.09122	26.8
292.09177	4.3
302.10681	0.6
347.18594	8.0
359.15390	23.1
360.15646	5.1
375.18127	53.3
376.18515	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	375.1816
Annotation	Sauriol B
Peak:m/z	Relative Intensity
55.01867	1.4
69.08951	1.7
69.09361	4.8
81.03439	1.0
87.04516	5.1
93.03474	1.2
96.99314	1.0
97.02940	1.4
99.04545	1.7
108.02190	4.2
111.00881	2.5
111.04534	9.4
123.04532	3.6
124.01661	6.1
125.02460	12.7
139.04024	100.0
140.04356	3.6
141.05650	0.9
159.08458	2.8
161.06425	1.1
167.03503	33.3
168.04056	0.8
193.08745	5.8
205.12286	1.9
207.13924	11.3
246.55495	1.0
251.86264	0.8
256.82993	1.0
275.12924	4.5
281.63367	0.8
291.09131	29.5
292.09317	2.9
347.18698	11.5
359.15387	29.2
360.15628	5.0
375.18137	55.5
376.18555	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	375.181
Annotation	Glaucogenin A
Peak:m/z	Relative Intensity
55.01868	1.0
57.03456	0.5
59.01363	0.7
68.99799	1.0
69.40251	1.8
79.01891	1.7
81.03479	0.5
83.72985	0.4
84.96432	0.4
85.02944	0.7
85.06582	1.0
86.72543	0.4
87.03976	0.5
87.04523	9.9
91.05538	0.4
95.01360	0.4
95.05029	1.2
97.02958	0.7
97.06574	0.5
101.38757	0.3
101.81438	0.4
107.08676	0.4
107.94881	0.4
109.02950	0.6
109.06622	0.6
109.82365	0.4
111.00876	0.9
111.04528	22.4
111.24412	0.3
112.04848	0.9
113.02428	0.5
113.06071	0.4
119.05024	0.4
123.08175	3.1
124.01653	1.0
125.02436	3.3
125.06091	2.1
133.06580	0.7
137.43246	0.3
138.03175	0.6
139.04059	2.3
139.04967	0.5
139.07652	0.5
141.05632	0.5
147.08084	0.4
149.05969	0.4
149.09697	0.8
151.00392	2.0
151.04010	0.6
151.07651	0.9
156.95271	0.4
158.93826	0.4
159.04428	0.4
163.07585	0.4
163.11374	0.4
165.05565	3.0
165.09167	0.6
166.02734	0.6
166.06271	0.9
167.03455	0.7
167.07132	0.4
168.04314	0.4
169.05049	2.4
173.06036	1.0
177.05586	3.9
177.12866	0.5
179.03566	0.5
179.07129	4.6
180.04204	0.4
180.07513	0.4
181.05087	1.7
185.09702	0.5
191.07132	1.9
192.07727	0.5
193.05101	0.7
193.08681	2.6
194.05853	2.0
195.06636	17.1
196.06941	1.1
197.08145	1.4
198.05299	1.0
201.12920	0.5
203.07179	0.4
203.10893	0.5
205.08656	1.0
205.12242	0.5
207.06610	1.2
207.13898	1.0
208.07413	2.8
209.08167	6.3
210.08626	0.7
212.06966	1.8
217.12323	1.7
219.06551	1.3
219.13899	1.4
221.08258	0.6
223.05965	0.4
223.17010	0.6
229.08667	1.3
233.08202	0.8
233.11853	0.5
235.09741	0.8
237.07576	2.2
243.13893	1.3
244.11014	1.2
245.11877	1.0
245.19203	0.4
247.09763	5.3
248.07011	0.6
249.11282	1.7
249.14915	0.4
261.07709	1.7
261.11292	0.4
263.12894	13.9
264.13232	1.1
265.14383	0.4
287.12720	0.7
291.08878	0.4
304.16251	0.4
305.14023	2.4
306.11060	1.2
313.18103	1.9
331.11902	1.3
331.19171	3.6
338.10043	0.7
347.18576	2.4
352.74652	0.3
357.17023	0.6
375.18051	100.0
375.21844	6.7
376.18399	12.1
376.22040	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76598	1.2
57.03434	1.3
57.68876	1.3
69.09191	10.8
74.99078	1.8
87.04499	4.7
93.03448	1.4
95.05035	1.9
95.42751	1.3
97.02962	1.2
108.02164	3.6
111.00882	1.9
111.04513	9.0
123.04533	2.2
124.01639	5.3
125.02464	12.0
134.34770	1.3
139.04024	100.0
140.04291	3.3
159.08455	7.4
161.06407	2.1
167.02159	2.4
167.03514	40.7
176.04874	1.2
183.89394	1.3
193.08705	4.9
205.12274	2.1
207.13925	10.2
208.07471	1.3
275.12912	3.2
279.14496	1.4
289.07535	1.8
291.09119	60.6
292.09201	10.4
347.18652	6.3
359.15381	65.3
360.15497	12.8
375.18112	54.9
376.18393	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	375.185
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58796	0.5
58.50849	0.6
60.97499	0.6
63.18939	0.5
70.20560	0.5
70.97153	0.6
74.99091	2.9
80.61375	1.0
93.00145	1.5
121.92387	0.5
138.70235	0.6
149.00923	0.9
159.08479	12.1
161.06396	3.8
192.98036	1.1
209.01268	2.3
217.07239	1.5
229.03458	0.7
275.06046	1.6
277.07544	2.7
278.74695	0.6
289.07480	2.1
291.09128	96.4
292.09250	12.3
293.07138	0.6
309.10211	1.3
357.13779	3.2
359.15375	100.0
360.15573	16.6
375.18427	4.4
376.18619	0.9
377.16513	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	0.3
69.11134	1.6
75.25566	0.3
78.74973	0.2
79.95739	2.1
86.85338	0.2
96.96016	100.0
98.22559	0.5
99.96234	0.2
111.08181	0.5
117.03848	0.2
174.99223	0.3
217.00305	0.7
236.90219	0.2
346.76913	0.3
375.18448	36.1
375.25632	1.1
376.18759	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.3
58.00586	1.9
59.01383	47.6
61.98830	1.2
69.78491	4.3
70.41096	1.1
71.01031	2.1
71.01387	25.6
71.07101	1.1
72.99310	2.7
73.02940	2.7
81.03476	1.2
83.01390	1.5
85.02954	6.5
89.02454	21.8
94.03133	1.1
95.01419	3.0
96.95989	1.3
101.02444	18.0
109.02956	2.7
113.02456	9.0
119.03518	11.6
121.02978	1.7
123.00904	2.1
125.02396	2.4
125.09669	1.6
137.02435	9.0
138.03203	2.4
139.04008	2.1
148.05283	2.7
151.00372	4.3
163.04002	2.2
163.07661	4.0
166.06352	2.3
168.69160	1.2
169.01389	1.4
174.99341	1.9
178.02731	1.5
179.03540	1.7
180.04301	2.0
181.05040	4.1
181.08688	2.2
182.05827	1.9
193.05109	3.8
194.05789	1.5
195.06552	1.9
195.13919	12.0
213.15010	4.8
217.00385	7.0
221.00641	1.3
289.07245	2.0
329.06757	1.8
345.13425	4.2
356.24667	1.4
360.08453	2.1
375.04880	3.2
375.10617	5.3
375.20279	100.0
375.27252	12.5
376.16010	1.3
376.20541	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	375.2166
Annotation	Macrolactin H
Peak:m/z	Relative Intensity
51.36099	0.6
61.04194	0.6
63.47612	0.5
80.48785	0.5
84.69484	0.5
90.80204	0.5
109.06604	0.9
110.67608	0.5
123.00903	0.6
123.08177	2.0
125.06120	1.3
136.05301	1.1
137.02438	1.7
137.09727	0.7
138.03247	5.8
165.01932	6.1
166.02725	43.9
167.03105	2.2
170.02208	1.8
176.30717	0.6
179.10747	0.9
180.04366	0.8
205.08751	0.9
207.04831	0.6
207.06702	2.1
219.24745	0.6
221.08173	3.6
222.08977	33.0
223.09528	3.6
234.07190	0.7
261.11337	2.0
273.11407	1.1
289.14420	0.7
313.21771	0.9
331.22769	1.6
357.20709	2.3
375.21780	100.0
376.22104	12.1
388.55740	0.6
393.61981	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2177
Annotation	Macrolactin H
Peak:m/z	Relative Intensity
51.75298	0.4
57.03450	0.5
57.16423	0.4
58.71764	0.4
59.87754	0.5
69.17235	1.6
69.17663	1.8
75.55846	0.5
79.01888	0.4
85.06617	0.7
95.05028	1.0
97.02979	0.6
98.21718	0.8
109.02959	1.0
109.06635	0.9
110.00143	0.4
111.00927	0.4
111.04512	2.0
119.04964	0.5
123.08169	2.7
125.02462	0.8
125.06094	2.2
135.04515	1.0
136.05295	1.8
137.02473	2.3
137.09732	1.1
138.03246	8.8
139.04033	2.4
145.06830	0.4
151.04028	0.7
155.01923	0.5
155.07198	0.6
163.07643	0.9
165.01952	9.5
166.02728	61.8
167.03046	2.8
170.02208	1.5
177.05589	0.5
177.12886	0.6
179.03557	1.0
179.10812	2.6
180.04318	1.6
183.06689	0.9
193.08704	1.3
195.06627	1.3
198.01804	0.5
203.07309	0.7
205.08704	1.8
207.06667	3.6
209.08270	0.9
221.08191	7.0
222.08983	47.5
223.09464	5.3
225.07591	0.7
233.08235	0.7
235.09787	0.7
245.15553	0.7
261.11395	2.5
261.15274	0.5
262.08499	0.6
263.12976	1.1
273.11334	1.1
275.12756	0.5
287.12869	0.9
288.13657	1.2
289.14502	0.8
291.12628	0.7
291.16046	0.6
301.21533	0.6
313.21561	0.9
331.19092	0.8
331.22745	1.0
345.20807	0.6
351.57968	0.5
357.20734	2.8
358.21619	0.6
375.18149	7.9
375.21863	100.0
376.22275	13.6
376.26996	0.9
396.53021	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2178
Annotation	Macrolactin H
Peak:m/z	Relative Intensity
55.36253	0.5
55.37416	0.6
57.03450	4.9
59.01366	2.0
62.57283	0.6
68.99834	0.8
69.84715	1.9
75.33979	0.5
83.05005	0.6
85.02954	3.0
95.01362	0.6
97.02963	1.2
99.08164	7.1
101.06093	3.4
109.02966	1.0
109.06615	1.6
111.00872	3.6
111.04531	1.7
111.93565	0.6
113.02457	1.0
123.08165	0.8
125.02482	0.7
125.06098	4.7
125.09747	0.8
132.98102	0.6
135.08122	0.6
137.02472	1.3
138.03206	1.2
139.04030	5.5
151.07713	0.8
153.01897	1.0
153.09200	1.4
163.07628	1.1
167.03532	1.8
169.08777	0.7
176.08437	0.6
177.01904	0.7
179.07149	2.6
193.08676	1.0
194.09534	0.8
195.03008	9.4
195.06613	7.9
197.08199	13.0
202.48834	0.7
205.08629	1.7
207.13864	0.7
217.12335	0.6
219.06598	1.1
220.07458	1.0
221.08202	0.6
222.08984	2.6
229.15929	0.8
231.13904	2.6
231.17426	0.7
237.07646	3.0
238.08426	5.1
243.10338	0.9
245.11829	1.4
247.09813	0.7
247.17200	0.7
249.14973	3.3
259.13510	1.1
261.14896	1.3
263.12973	1.3
271.13309	1.3
272.14203	0.7
273.15182	0.7
275.16687	0.9
276.09818	0.8
278.60303	0.7
287.12823	2.7
289.14398	1.9
299.12811	1.3
299.23947	0.6
305.13901	1.0
313.14453	2.3
313.17938	0.7
313.21793	1.9
314.15231	1.8
315.19717	3.4
317.13907	1.3
329.21222	0.8
331.19098	1.1
331.22705	1.2
333.20627	1.2
357.20706	22.4
358.21094	2.3
360.19501	1.2
375.18237	4.6
375.21790	100.0
376.17770	1.1
376.22159	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	375.2907
Annotation	15(R)-Pinane Thromboxane A2
Peak:m/z	Relative Intensity
63.81470	0.6
78.25445	0.6
86.00495	0.6
87.29374	0.7
116.60173	0.7
122.18270	0.7
164.87157	0.7
228.89491	0.7
235.43849	0.8
295.78342	0.8
315.27060	1.1
331.55399	0.7
341.18973	0.7
375.29086	100.0
376.08295	0.7
376.29422	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	377.088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.3
59.01386	1.0
61.98814	1.4
63.97198	0.8
64.42065	0.7
66.02814	0.7
67.01884	2.8
69.03452	1.3
71.05048	1.2
71.27816	1.2
74.72524	0.8
79.01899	4.5
84.92855	0.9
85.02953	0.9
85.06618	1.0
87.04543	1.2
95.01396	23.4
95.05035	3.7
97.02943	4.3
99.82887	0.8
101.02454	0.9
109.02969	1.6
109.06616	2.3
111.00871	1.6
111.04513	5.0
113.02464	1.6
115.92088	2.8
123.00897	66.8
123.08167	2.6
124.01753	7.1
125.02477	0.9
125.06087	1.2
135.04526	0.8
137.02422	1.5
138.03174	0.8
139.00395	8.7
139.04012	7.2
141.01949	6.9
147.08220	1.2
151.04008	1.4
151.07683	0.9
155.07140	0.9
163.07680	1.7
164.57364	0.7
165.01959	1.0
165.05528	1.7
165.09215	19.3
166.09514	1.0
166.99873	100.0
168.00650	20.9
179.07130	2.6
181.08670	2.9
183.06581	4.1
191.07213	1.5
193.08714	1.4
195.04945	0.7
195.06651	3.3
197.08278	2.0
207.06558	1.3
208.07401	1.8
209.08203	71.8
209.52917	0.7
210.08636	5.7
223.06117	1.5
228.21271	0.8
289.10938	1.3
317.17935	1.0
333.17117	1.2
335.18665	0.9
339.06625	0.8
343.03067	0.8
359.14902	1.7
359.18658	1.0
377.08951	6.0
377.15802	7.5
377.19775	19.1
378.20068	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79884	1.0
59.01375	4.5
62.94402	1.1
65.00342	2.1
67.01910	1.5
68.99829	0.9
71.01365	2.6
71.28720	1.4
73.02937	1.7
83.01383	4.8
84.54590	1.0
87.11412	1.0
89.02460	1.1
91.05569	2.0
93.03467	3.1
95.01382	3.9
99.00915	1.9
99.98032	0.9
102.19910	0.9
103.34361	1.0
107.01339	1.2
107.05054	4.1
109.02946	1.6
111.00895	8.1
112.98813	2.8
113.02535	1.0
121.02972	1.8
123.00896	33.0
123.04511	1.3
124.01692	8.8
125.02494	5.5
125.99596	1.8
127.00381	10.9
134.03745	20.5
135.04549	22.3
136.01730	1.2
136.04956	1.0
136.98804	7.5
137.02455	7.5
137.06096	1.7
137.99588	1.7
138.03241	25.3
139.00391	48.7
139.04028	8.9
140.00706	1.1
141.01895	2.9
145.02945	1.8
147.04492	1.0
149.02477	1.8
149.06097	30.2
150.03174	1.3
150.06442	1.9
151.00410	8.4
151.04031	7.1
153.01964	9.3
153.05585	14.1
154.02757	4.9
154.05861	1.1
163.00366	2.2
164.01155	1.5
164.04778	4.1
166.99841	1.3
167.07123	5.2
169.01442	3.3
170.01659	1.0
177.01987	12.1
178.02670	4.2
179.07149	3.4
180.96014	1.4
181.05063	3.1
192.04337	5.5
193.05057	6.0
195.06607	2.1
197.08176	4.0
201.01927	1.0
203.03513	1.7
227.03273	1.4
229.01309	1.5
230.02077	1.3
231.02939	4.4
235.06216	1.4
259.02481	3.3
274.04883	1.4
275.01840	1.4
289.07193	2.4
300.99832	2.7
302.00226	2.3
302.04288	1.3
316.53540	3.9
317.06723	24.1
317.19778	2.7
332.09045	22.9
333.09323	1.9
341.10678	1.4
347.11383	100.0
348.11749	7.3
376.54578	4.7
377.05026	1.9
377.12415	23.6
377.17236	1.7
377.21951	8.7
378.12811	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60387	0.7
59.01376	4.1
68.99283	3.7
68.99715	2.9
71.01378	2.3
77.45527	0.8
85.02928	1.3
89.02442	1.0
92.05082	1.0
94.58038	0.7
95.01443	1.0
95.05022	1.2
101.02434	1.6
107.01347	0.9
109.02956	1.5
110.06126	2.4
118.02946	0.8
121.03010	0.9
122.06155	5.1
125.02443	1.9
143.64232	0.7
146.02473	2.8
149.02441	1.5
150.03250	1.4
159.03246	0.8
160.04045	25.4
161.04837	40.8
162.05376	2.1
163.72890	0.8
165.05577	2.0
169.01471	1.0
171.95374	0.9
176.03554	1.0
181.05121	1.3
186.81659	0.7
193.03799	5.9
195.06581	1.0
205.03812	100.0
206.04173	5.3
215.07068	1.0
226.38051	0.8
237.02864	2.0
257.12891	2.2
271.10809	2.5
283.10901	7.5
301.11920	7.8
302.12311	1.2
327.10001	1.0
345.10925	69.9
346.11288	6.4
347.07587	0.9
377.13464	3.2
377.18060	9.7
377.22269	1.2
378.13876	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60387	0.7
59.01376	4.1
68.99283	3.7
68.99715	2.9
71.01378	2.3
77.45527	0.8
85.02928	1.3
89.02442	1.0
92.05082	1.0
94.58038	0.7
95.01443	1.0
95.05022	1.2
101.02434	1.6
107.01347	0.9
109.02956	1.5
110.06126	2.4
118.02946	0.8
121.03010	0.9
122.06155	5.1
125.02443	1.9
143.64232	0.7
146.02473	2.8
149.02441	1.5
150.03250	1.4
159.03246	0.8
160.04045	25.4
161.04837	40.8
162.05376	2.1
163.72890	0.8
165.05577	2.0
169.01471	1.0
171.95374	0.9
176.03554	1.0
181.05121	1.3
186.81659	0.7
193.03799	5.9
195.06581	1.0
205.03812	100.0
206.04173	5.3
215.07068	1.0
226.38051	0.8
237.02864	2.0
257.12891	2.2
271.10809	2.5
283.10901	7.5
301.11920	7.8
302.12311	1.2
327.10001	1.0
345.10925	69.9
346.11288	6.4
347.07587	0.9
377.13464	3.2
377.18060	9.7
377.22269	1.2
378.13876	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1454
Annotation	Abafungin
Peak:m/z	Relative Intensity
55.01876	2.8
57.03440	3.6
59.01093	2.3
59.01380	31.4
68.99824	3.4
69.03454	2.8
69.28888	10.6
71.01384	37.1
72.99306	9.5
73.02952	4.0
74.32136	1.8
75.00876	36.2
85.02956	42.4
87.00890	16.5
88.83148	1.8
89.02444	10.7
95.01409	9.7
99.00887	19.7
103.00382	4.3
113.02457	58.6
115.00391	5.6
117.01930	5.2
127.06712	2.7
127.07655	53.9
127.08557	3.6
128.07950	1.9
129.01930	3.7
132.56218	1.8
135.04498	2.0
164.04761	2.2
175.02505	4.8
179.07166	4.6
205.07138	3.2
207.04939	2.0
223.08156	2.5
231.05090	2.9
249.06149	48.7
250.06345	3.2
267.07211	100.0
268.07501	5.8
377.14557	88.8
378.15036	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	377.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.9
71.28359	1.0
79.01899	0.8
85.06581	1.3
85.44110	0.7
87.04506	1.3
95.05047	1.1
107.05054	0.9
109.01822	0.8
111.04520	7.2
123.04501	1.4
123.08171	4.9
125.02452	2.9
135.04581	0.9
137.02470	1.0
139.03970	1.9
142.70770	0.8
151.00349	2.2
151.04034	7.2
153.01942	5.2
154.02742	2.5
165.01968	1.1
165.09198	4.9
166.02748	0.9
177.01967	1.2
177.05534	3.9
178.06247	1.1
179.07214	0.9
180.00696	2.3
180.04201	0.8
181.01440	3.7
181.05051	4.9
182.02193	13.5
193.08607	1.2
195.06641	25.3
195.10501	0.8
196.06937	1.6
203.07063	3.8
206.05957	0.9
207.06622	1.4
208.07361	1.8
209.04675	1.6
209.08189	33.5
210.08565	1.6
221.08185	40.0
222.08611	2.9
223.06120	51.5
224.06895	100.0
225.07297	6.1
235.09776	1.9
289.10934	0.9
301.14468	8.9
359.14880	1.5
359.18790	3.3
377.16013	2.5
377.19739	36.9
378.20087	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1608
Annotation	Gibberellin A99
Peak:m/z	Relative Intensity
69.06139	2.4
69.06544	8.4
78.69492	1.5
79.01890	1.7
85.02958	2.2
86.03308	1.5
95.05075	2.1
98.21793	2.3
111.04534	11.1
120.55808	1.2
123.08208	2.4
139.04065	1.9
147.08208	2.0
151.04031	3.5
165.01990	3.3
165.09225	4.2
166.02695	6.8
179.07123	1.7
182.02293	1.9
183.06668	2.0
191.07040	1.8
193.01418	11.8
194.02243	5.1
203.07106	3.0
205.05127	1.5
207.06503	2.1
209.08192	29.7
210.08533	1.6
217.12233	1.7
218.05789	2.6
219.06693	1.9
220.03833	1.9
221.08218	15.5
224.07002	10.5
231.02998	2.9
233.11890	7.2
235.06129	20.3
236.06905	8.7
245.04439	1.8
245.11723	1.9
246.05350	23.5
247.05803	1.8
247.09692	2.2
248.06905	12.4
256.07559	1.7
257.08237	2.3
261.11331	12.5
263.05621	3.6
264.06427	5.4
268.05881	2.2
271.09741	10.7
272.10635	3.0
273.11227	2.0
275.09216	2.7
285.11456	2.2
288.10016	2.3
289.10852	88.8
290.11258	9.2
295.81146	1.5
300.13708	3.2
301.10840	1.3
304.80817	1.2
307.11887	2.0
315.16013	10.9
316.12753	1.9
316.16412	1.9
331.15701	2.3
359.15009	100.0
360.15439	12.2
377.15924	13.7
377.19724	30.0
378.16022	1.9
378.20294	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	377.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.0
57.03452	6.1
59.01361	1.5
69.19476	3.2
69.19898	2.9
71.05019	1.3
73.20071	0.8
79.01888	1.1
85.02964	2.8
85.06589	11.0
87.00903	1.4
87.04520	8.1
95.05046	2.3
97.03006	1.4
101.06120	0.9
109.02967	2.1
109.06618	1.8
111.04526	10.6
113.02467	1.4
113.09721	1.0
123.00810	1.1
123.08172	2.6
125.02436	1.0
125.06111	1.5
126.03240	1.1
127.07661	2.5
138.03270	1.8
139.04030	3.4
141.05589	3.5
151.03998	6.7
151.07713	2.1
151.10277	0.9
151.11275	5.4
153.05594	1.6
155.03448	1.5
155.07195	2.5
163.04100	3.0
165.01949	4.1
165.05573	1.2
165.09216	5.4
166.02725	11.0
167.03391	1.5
169.08755	1.3
177.05603	6.2
177.09167	2.5
178.06097	1.0
179.07140	4.4
181.08684	7.3
183.06624	0.9
185.36205	0.9
189.09215	1.7
193.08708	7.0
195.06779	1.0
203.07205	1.1
203.10796	1.3
207.06645	5.8
208.07413	26.4
209.08191	22.7
210.08496	1.7
211.92784	0.8
219.10370	1.2
221.08197	9.6
221.11821	1.4
221.15524	1.4
222.08971	8.0
223.09737	1.2
226.08508	3.8
233.08302	2.1
235.13383	1.4
240.06404	1.0
247.09888	4.9
259.13306	5.5
260.10574	1.5
265.14450	22.9
265.17160	1.6
266.14880	1.5
275.12872	8.2
276.36282	1.0
289.11780	1.1
289.14551	6.2
289.18057	1.3
290.15198	1.4
301.14609	1.5
303.12399	39.6
304.12518	5.4
307.15457	1.5
317.14053	2.3
318.14777	3.5
319.15439	1.8
333.13635	1.5
333.17081	90.1
334.17395	9.3
377.16074	8.1
377.19785	100.0
378.16226	1.2
378.20160	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	377.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	0.5
59.01367	0.9
64.69778	0.4
65.00337	0.4
69.16867	1.8
69.17287	1.6
74.24252	0.4
79.01894	0.7
83.05038	0.6
85.02940	0.6
85.06589	0.7
85.62246	0.5
87.04530	0.8
92.02709	0.5
93.03474	1.3
95.05025	1.9
97.02951	1.0
106.07890	0.5
109.02969	3.0
109.06594	1.0
111.00930	0.5
111.04523	8.5
111.08150	0.8
113.06158	0.5
123.04544	1.4
123.08154	1.9
127.07658	3.6
135.08160	4.5
137.02438	5.0
139.04054	2.3
139.07645	0.6
148.05331	1.0
151.03999	1.1
153.05513	0.6
153.09167	0.6
155.07207	0.5
163.07655	3.0
165.01938	0.7
165.05568	1.0
165.09219	4.0
166.02682	0.9
169.08731	1.3
177.01888	1.1
179.07184	5.3
181.08701	7.3
191.07196	0.9
192.04305	2.8
193.08719	1.2
195.06729	0.6
197.08188	1.4
203.07083	0.6
207.06631	100.0
208.07060	8.4
209.08197	20.0
209.84500	0.5
210.08562	1.5
221.08182	6.6
229.44736	0.5
257.08090	0.5
263.12939	0.8
282.05405	3.5
284.97162	0.5
297.07663	7.1
333.13550	0.9
333.17117	2.7
359.18866	0.7
377.15958	16.9
377.19824	19.3
377.27243	1.2
378.16006	2.2
378.20230	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	377.1608
Annotation	Gibberellin A125
Peak:m/z	Relative Intensity
54.34191	0.7
55.51760	0.6
59.29875	0.7
61.42246	0.6
69.03470	0.8
69.04364	5.3
80.24803	0.6
83.05024	2.7
93.03455	2.7
95.05046	1.0
98.22506	1.8
107.05034	1.3
109.06674	0.8
112.21502	0.6
119.04962	0.8
119.08701	1.5
121.02986	1.1
123.00888	2.9
123.04524	0.9
123.08178	0.9
125.02486	3.7
133.06587	1.2
135.04553	0.9
137.02448	2.6
138.79773	0.6
139.00359	0.9
147.08148	1.1
153.01807	0.8
159.08151	1.5
164.04936	0.9
166.92609	0.8
169.01422	2.1
173.02438	0.8
175.04028	0.6
177.93967	0.6
187.11292	2.5
189.12866	2.4
201.12846	0.9
217.12366	2.4
219.13959	1.1
227.14568	0.7
229.16019	0.9
234.10638	0.8
241.16003	4.4
243.13850	1.9
253.15953	2.4
257.15408	3.4
258.01062	0.9
259.17026	11.2
260.17322	1.8
269.15366	1.4
271.17087	5.0
275.01993	1.6
280.17844	0.7
285.14960	3.0
287.16571	8.6
288.16824	1.4
289.18106	9.3
293.04520	0.7
300.99939	3.7
302.00256	3.0
303.15768	0.8
305.17331	1.4
315.16080	5.1
316.53479	1.1
329.13943	1.4
333.17102	9.0
334.17126	0.8
359.15021	31.4
360.15225	2.4
376.54425	4.2
377.16061	100.0
378.16412	12.0
378.21027	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.161
Annotation	Unknow
Peak:m/z	Relative Intensity
64.75316	0.8
69.64606	1.8
93.03477	2.3
95.05051	1.4
121.02959	8.8
122.03730	3.3
123.00898	1.8
123.04572	1.3
124.01706	1.1
125.02471	3.0
132.02115	1.0
135.04543	2.0
149.02452	100.0
150.03253	25.1
151.03636	1.1
164.04805	19.2
165.05583	26.5
166.06169	3.0
166.99879	1.2
167.07175	5.1
168.00623	2.3
169.01445	2.6
180.04320	1.8
180.07953	1.2
181.08780	1.2
193.03749	0.8
194.05771	0.9
195.06635	10.9
270.08841	1.0
283.09854	3.7
285.11139	2.0
302.05417	4.3
314.11603	30.5
315.11972	4.1
329.13956	98.4
330.14310	11.3
336.21378	0.9
347.15085	1.0
377.08630	1.1
377.16110	5.4
378.16238	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.4
71.01385	3.0
88.04060	3.0
90.91615	1.0
93.03468	5.3
97.06608	1.9
107.01378	1.6
109.02990	1.6
115.07635	1.6
120.99677	1.1
121.02979	5.6
121.65514	0.8
122.03741	11.9
122.04410	1.1
123.00936	1.7
123.04535	1.4
124.01706	1.7
125.02460	7.8
137.02452	2.8
139.03961	1.1
149.02448	45.6
150.03242	94.9
151.03632	3.8
152.09016	1.0
155.10854	1.2
156.89725	1.1
157.90630	1.0
163.00340	1.1
164.04793	7.8
165.05580	100.0
166.06055	6.9
167.07133	2.2
169.01453	7.0
180.04234	6.7
181.08786	1.3
182.48354	1.0
185.85123	1.0
195.06630	50.1
196.07016	3.3
282.60217	1.4
287.01978	1.4
289.14792	1.3
302.05438	3.5
314.11685	7.2
315.21732	2.8
317.19727	9.1
329.13947	21.9
330.14447	1.6
333.16916	1.2
359.20926	1.4
377.08560	2.3
377.12411	2.8
377.16452	4.1
377.21881	18.6
378.15710	7.5
378.22290	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	377.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02691	2.4
55.01866	3.3
59.01392	40.2
59.92309	2.4
66.48781	2.3
69.03609	16.0
69.04036	7.7
71.01390	24.9
73.02946	7.5
83.01395	3.4
85.02962	8.2
89.02450	14.6
95.01405	2.7
101.02417	15.7
111.04496	3.4
113.02454	8.1
119.03521	7.7
160.04044	10.9
161.04741	14.8
177.09210	5.9
194.59470	3.2
195.06647	12.1
197.11888	19.4
205.03816	33.9
215.12959	3.2
312.55823	2.7
345.10870	26.6
377.13416	5.8
377.18167	100.0
378.18488	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	377.1965
Annotation	Nigakilactone A
Peak:m/z	Relative Intensity
52.82178	0.3
57.33636	0.3
59.27032	0.3
64.59661	0.3
68.51351	0.4
68.94503	0.3
71.05028	0.5
72.57963	0.3
79.01884	0.4
80.77925	0.4
83.05013	0.9
85.06594	1.1
87.04515	0.7
95.05003	0.8
97.02955	0.6
109.02942	0.7
109.06586	3.9
111.04514	2.4
114.84495	0.3
121.02948	0.8
121.06613	0.4
123.08183	2.0
135.04544	0.3
135.08180	0.4
136.05298	0.4
137.02460	1.6
138.03246	3.9
139.03914	0.8
141.09312	0.4
143.66040	0.3
147.08157	0.8
150.06897	1.2
153.05608	1.0
165.01935	6.5
165.05536	0.5
165.07959	0.5
165.09207	5.6
166.02724	19.2
166.09837	0.4
167.03166	0.9
169.05098	0.7
170.02191	0.5
179.07104	0.6
179.90994	0.3
180.07880	0.5
189.05602	0.4
191.07114	0.7
193.05113	0.8
207.06665	6.2
207.13815	0.4
208.07422	44.5
209.08066	4.8
221.08020	0.4
222.08945	0.7
289.14423	0.9
307.15588	1.3
333.20953	0.8
359.18622	1.7
377.19705	100.0
378.20035	13.5
401.47229	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1968
Annotation	11alpha-Hydroxypoststerone
Peak:m/z	Relative Intensity
53.09500	0.5
57.03447	1.3
60.71817	0.6
68.99805	0.6
71.01383	1.4
71.05023	1.0
80.20307	0.5
83.05021	0.8
84.41958	0.5
85.02960	2.3
85.06588	3.3
85.47913	0.4
87.04518	3.1
89.43555	0.5
95.05054	2.4
97.02950	0.6
97.06589	1.5
98.21718	0.9
99.00906	2.0
99.04541	1.0
108.02176	0.7
109.02951	1.2
109.06602	2.1
111.04530	12.2
112.04863	0.6
113.06086	1.6
122.03775	0.5
123.04552	0.7
123.08163	1.1
125.02374	0.9
125.06078	1.9
135.08150	0.8
137.02458	0.9
138.03255	1.0
139.04030	2.2
139.07655	0.5
140.04369	0.8
141.05595	2.7
153.01945	2.0
153.09254	0.7
154.02718	1.0
165.01921	1.2
165.05603	0.6
165.09238	3.0
166.02696	3.7
169.05063	18.6
170.05476	0.8
177.05527	0.8
177.09131	0.5
178.06352	0.7
179.07127	1.9
179.10687	0.6
180.00656	0.9
181.01401	1.1
181.05098	1.3
182.02213	4.8
192.93340	0.4
193.08698	1.4
195.06622	7.6
197.08217	0.8
197.11790	0.7
203.14409	1.7
206.05865	0.7
207.06702	2.2
207.13896	3.5
208.07411	8.8
209.08185	11.5
210.08556	1.0
221.08206	1.0
221.15457	1.8
223.06081	4.1
224.06903	27.0
225.07327	1.4
265.14426	1.7
295.14938	0.6
307.15302	0.8
331.18890	0.5
341.10754	0.5
349.20129	0.9
359.18710	1.4
377.19699	100.0
378.20020	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	377.1971
Annotation	11alpha-Hydroxypoststerone
Peak:m/z	Relative Intensity
55.01886	1.4
57.03428	1.1
57.91966	0.6
70.62495	1.5
71.01364	1.0
73.02973	0.9
82.68098	0.6
85.02935	5.3
85.06576	2.6
87.04511	2.8
95.05026	2.8
97.06595	3.5
99.00891	4.4
99.04533	1.4
108.02177	1.4
109.02969	1.3
109.06572	1.3
111.04530	19.0
112.04918	0.7
113.06113	1.6
116.50613	0.7
123.08165	1.3
125.02476	1.7
125.06070	3.2
129.01921	1.5
135.08168	1.0
139.03998	1.8
141.05582	4.5
148.06915	0.7
150.06870	0.9
151.00325	1.0
151.07779	0.6
151.11331	0.7
153.01903	3.2
154.02718	2.1
164.61200	0.6
165.09177	3.0
166.02722	1.2
169.05070	32.2
170.05457	1.0
175.54193	0.5
177.05637	1.2
178.06322	1.3
179.05731	0.7
179.07159	2.9
180.00642	1.5
181.01425	1.8
181.05066	1.6
182.02180	7.5
193.08717	2.2
195.06627	14.0
197.08115	1.8
197.11824	1.2
203.14407	1.0
206.05864	0.9
207.06779	0.9
207.13919	2.9
208.07396	2.9
209.04353	1.0
209.08220	6.8
221.08212	1.9
221.15494	0.8
223.06050	4.1
224.06908	35.9
225.07249	2.0
251.05998	0.7
265.14426	3.0
307.15530	0.8
331.19189	1.1
349.20163	1.6
359.18573	1.8
377.19708	100.0
378.20117	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	377.197
Annotation	11alpha-Hydroxypoststerone
Peak:m/z	Relative Intensity
57.03444	0.7
69.17499	3.3
70.06819	0.4
72.60612	0.5
83.76726	0.5
85.02964	5.0
85.06606	2.1
87.04517	2.6
95.05031	1.7
97.06589	1.7
99.00902	3.2
99.04550	0.9
109.02932	1.2
111.04528	13.5
113.06111	1.4
125.06083	1.8
129.01961	0.9
135.67665	0.4
138.02980	0.5
139.04042	0.6
141.05592	3.2
150.06848	0.6
153.01932	1.6
154.02722	1.3
165.09219	1.6
167.03488	0.7
169.05077	24.6
170.05405	1.0
178.06319	0.8
179.07167	1.3
180.00732	0.9
181.01408	1.6
181.05067	1.0
182.02213	4.5
193.08728	2.8
195.06636	6.5
203.14407	1.7
205.12361	1.5
206.05920	0.7
207.06563	0.7
207.13899	5.2
209.08238	4.9
219.13861	0.6
221.08192	1.0
221.15479	1.3
223.06139	4.5
224.06918	30.0
225.07254	1.7
243.95772	0.5
265.14456	1.3
341.10721	0.5
349.20126	2.1
359.18723	1.8
377.19705	100.0
378.20007	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	377.1969
Annotation	11alpha-Hydroxypoststerone
Peak:m/z	Relative Intensity
54.08850	0.6
57.03441	0.9
60.68938	0.8
67.81734	0.6
69.09000	1.4
69.09402	3.3
79.94262	0.7
85.02956	7.5
85.06600	2.9
87.04517	2.7
95.05019	2.9
96.83437	0.7
97.06602	2.3
98.21779	1.1
99.00871	4.3
99.04556	0.8
109.02966	1.1
111.04523	16.0
113.06113	1.6
125.02417	1.3
125.06070	2.1
129.01953	1.1
139.63087	0.6
141.05641	3.5
147.53011	0.7
153.01930	2.0
154.02684	1.7
156.27431	0.7
169.05067	31.5
170.05519	1.2
177.05608	0.8
178.06369	1.2
179.07181	1.5
180.00659	1.5
181.01451	1.7
181.05165	1.2
182.02228	6.4
193.08707	2.6
195.06602	8.4
203.14484	1.1
205.12299	1.6
207.13863	6.4
209.08321	1.6
219.13969	1.2
221.08162	1.1
221.15483	1.0
223.06194	6.3
224.06906	43.2
225.07220	1.3
242.75522	0.7
251.12917	0.7
265.14517	0.9
349.20334	1.4
359.18613	1.0
377.19696	100.0
378.20023	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	377.1969
Annotation	11alpha-Hydroxypoststerone
Peak:m/z	Relative Intensity
51.64362	0.3
55.01887	0.5
57.03439	0.5
60.51792	0.4
72.99312	0.3
76.97707	0.3
83.85190	0.3
85.02957	4.6
85.06577	1.7
87.04507	2.4
95.05022	1.4
97.06569	1.9
99.00892	2.2
99.04518	0.5
109.02953	1.0
111.04532	10.5
113.06078	1.4
124.72286	0.3
125.02495	0.6
125.06116	1.7
127.03961	0.3
129.01945	1.2
133.00456	0.3
133.06636	0.5
137.02448	0.5
137.09735	0.7
139.25769	0.3
141.05571	2.9
141.49133	0.4
150.06885	0.4
153.01944	1.0
154.02715	0.8
165.09225	1.2
166.02708	1.5
167.03384	0.5
169.05064	23.8
170.05408	0.8
177.12820	0.6
178.06433	0.5
179.07098	1.7
180.00603	0.8
181.01387	1.1
181.05157	0.4
182.02248	3.7
191.14397	0.4
193.08701	2.2
195.06627	5.3
196.03755	0.3
203.14445	1.3
206.06020	0.4
207.06554	0.7
207.13916	6.2
208.07428	5.0
209.04442	0.6
209.08110	2.2
216.53029	0.3
219.13925	0.6
221.08229	1.1
221.15431	1.2
223.06119	4.7
224.06905	31.4
225.07343	1.6
237.15045	0.5
240.01289	0.3
265.14450	1.1
301.07318	0.4
307.15524	0.7
319.19110	0.7
349.20157	1.5
359.18658	1.0
377.19693	100.0
378.20013	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	377.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04440	0.9
56.54961	0.9
57.03457	1.4
59.09777	0.8
70.40356	1.8
70.40762	1.7
71.95184	0.8
73.02958	1.7
74.94764	0.8
78.18507	0.8
83.05036	11.9
87.04517	12.3
95.05051	2.7
97.06604	2.0
99.00893	14.5
99.04518	3.0
99.95969	0.7
101.06052	6.1
106.48645	0.8
111.04516	1.6
113.06083	2.5
123.04539	0.8
124.05291	2.5
125.02454	0.8
125.06101	7.4
125.99618	1.6
127.04075	1.7
129.01895	0.8
139.07684	1.6
141.05623	3.0
165.09308	0.8
169.05074	100.0
170.05408	5.1
177.53627	1.1
189.12845	1.1
192.11647	1.3
194.50035	0.9
205.12296	2.0
207.13927	22.2
208.14276	1.8
209.08192	3.7
235.09711	3.8
275.12933	11.2
288.71124	0.9
289.14319	1.1
377.19659	13.2
378.19943	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1966
Annotation	Nigakilactone A
Peak:m/z	Relative Intensity
55.01856	0.5
57.03436	0.7
57.86014	0.5
71.05029	0.6
79.01877	0.8
83.05029	0.5
85.02955	0.9
85.06590	1.3
87.04511	0.9
95.05007	1.1
97.02943	0.8
109.02990	0.4
109.06593	3.7
111.04533	3.5
121.06566	0.6
123.08178	2.6
137.02432	1.6
137.09721	0.5
138.03209	2.4
139.04013	3.0
139.48958	0.4
150.06908	1.0
153.05566	1.1
165.01910	4.1
165.09222	9.4
166.02719	14.3
167.03137	1.0
169.05043	0.9
179.07129	0.7
180.07965	0.6
187.51505	0.5
191.07083	0.6
191.10735	0.4
193.05112	1.0
205.12292	0.7
207.06616	4.2
207.13948	1.0
208.07414	41.2
209.08182	16.6
210.08565	1.1
221.08134	0.8
221.15482	0.8
222.08992	0.8
245.15535	0.5
265.14502	1.6
289.14487	0.9
293.13843	0.6
307.15497	1.3
333.20798	1.2
341.10861	0.5
359.18564	2.7
377.19693	100.0
378.20023	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	377.1978
Annotation	11alpha-Hydroxypoststerone
Peak:m/z	Relative Intensity
55.01903	0.7
57.03452	7.3
68.55637	0.5
68.70335	0.6
69.24987	3.4
71.05013	1.3
71.39199	0.4
79.01894	1.5
79.05490	0.7
85.06595	2.4
87.04500	1.2
95.05035	2.0
95.53012	0.5
97.02959	1.1
99.08154	0.6
105.53534	0.5
107.05054	1.0
109.06581	2.6
111.04536	11.7
111.08040	0.6
112.04781	0.5
121.06580	0.5
123.04547	0.8
123.08173	8.8
133.06546	0.5
135.08142	1.1
137.06058	1.0
138.03265	1.2
139.04021	6.8
147.08168	1.4
149.06111	0.9
149.09706	1.7
151.04027	0.6
151.07640	1.6
161.09651	0.7
163.04031	0.6
163.07611	1.9
163.11371	1.2
165.01854	0.6
165.09218	13.6
165.10518	1.1
166.02736	0.9
166.09538	1.0
167.07210	0.7
169.05093	3.6
175.07634	0.6
179.10744	0.5
183.33922	0.5
187.11168	0.7
189.09282	0.9
191.03555	0.7
191.07153	2.0
203.10783	1.2
205.05043	1.0
205.12305	2.5
207.06607	0.8
207.10258	2.1
208.07404	2.2
209.08197	60.5
210.08569	3.6
215.10771	0.8
217.12402	1.2
219.06586	3.6
221.08171	2.4
222.08893	0.8
229.08868	0.6
231.10179	1.5
233.08247	3.3
233.15295	0.6
247.09708	1.2
249.11357	5.6
257.15408	1.4
261.11420	3.0
273.14923	3.3
275.16531	2.8
301.14468	9.1
302.14786	1.3
319.15524	53.0
320.15878	5.1
359.18616	8.2
360.18872	0.6
362.49432	0.6
377.19702	100.0
378.20004	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	377.1971
Annotation	Nigakilactone A
Peak:m/z	Relative Intensity
57.03434	1.0
67.01923	0.3
68.99795	0.4
69.03471	0.4
71.04990	0.3
71.29475	0.4
72.99300	0.6
83.05016	0.5
85.06590	3.0
87.04517	0.9
95.78143	0.3
108.02184	0.8
109.02975	2.0
111.03765	0.4
111.04533	11.0
113.06101	13.8
114.06423	0.5
123.04462	0.5
125.09715	1.0
135.72047	0.3
137.02502	0.4
137.06133	1.5
141.01994	0.5
149.09717	0.7
151.03970	0.3
165.05592	2.4
179.07147	3.9
180.07848	0.5
181.08664	1.7
189.09164	0.8
191.07103	0.4
191.10791	0.4
192.07907	1.3
193.08641	0.5
195.06470	0.3
201.12767	0.5
203.14423	0.5
207.06956	0.4
207.10280	10.8
208.10648	0.4
219.17465	0.3
222.08995	0.5
229.12294	0.4
245.11832	0.7
245.15504	0.9
247.13290	0.4
251.12798	0.5
263.16534	3.0
289.14545	0.6
291.12476	0.5
315.19595	2.1
333.20718	14.1
334.20920	1.9
359.18628	0.9
367.32419	0.3
377.19708	100.0
378.20023	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	377.1972
Annotation	11alpha-Hydroxypoststerone
Peak:m/z	Relative Intensity
55.01883	0.9
57.03438	4.0
71.28195	1.8
81.03470	1.5
83.05030	1.0
85.02947	1.7
85.06596	11.7
87.04511	1.1
95.05064	1.6
107.05068	1.3
107.61372	1.0
109.02970	1.6
109.06594	2.5
111.04538	5.8
113.02510	1.4
117.02023	1.0
118.37180	0.9
121.02930	1.2
121.06665	1.3
123.00861	1.1
123.08166	1.0
123.34229	1.0
135.04536	1.3
137.02438	2.1
138.03232	3.5
139.04086	2.1
141.05568	7.6
151.03972	1.4
153.12764	1.0
165.01973	6.0
165.09190	8.6
166.02725	18.0
168.57961	0.9
174.44087	1.1
179.07127	2.9
181.08717	7.8
191.07198	1.6
195.06554	1.7
195.51332	0.8
203.07297	1.4
207.02873	1.4
207.06578	7.2
208.07420	41.6
209.08179	20.1
219.06670	1.0
221.08212	7.6
222.08606	1.2
247.06174	1.2
247.09726	1.3
249.07681	1.2
288.88379	1.0
289.14572	1.2
307.15500	1.7
315.12149	1.3
333.09912	2.1
333.13510	1.5
359.18677	1.7
377.19699	100.0
378.20129	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	377.1975
Annotation	11alpha-Hydroxypoststerone
Peak:m/z	Relative Intensity
55.01883	1.3
55.86586	0.6
56.66384	0.7
57.03183	1.0
57.03451	14.8
65.40369	0.6
70.77352	1.0
71.05023	2.6
79.01900	1.4
81.03437	1.7
85.06587	4.1
87.04533	2.1
93.03444	0.8
95.05030	3.0
95.81792	0.7
97.02983	1.7
97.06585	0.8
107.05054	1.9
109.06623	4.8
110.06968	0.8
111.04535	20.7
115.49134	0.6
121.03024	1.0
121.06612	1.6
123.04540	1.2
123.08178	17.8
124.08480	0.9
133.06602	1.0
135.04559	1.0
135.08189	1.5
137.06104	0.8
138.03229	1.4
139.04021	12.2
141.09259	0.7
147.08154	2.7
149.06125	1.9
149.09706	2.5
151.04051	0.7
151.07643	2.8
161.06108	0.8
163.03946	0.8
163.07660	2.6
163.11316	1.5
165.01935	2.0
165.09225	21.9
166.02690	1.2
166.09528	1.5
167.07092	1.3
175.07590	1.4
179.07198	1.0
187.11353	1.5
188.08459	0.9
190.09811	0.8
191.03522	2.5
191.07146	3.3
193.08771	1.1
203.10825	2.2
205.12363	2.7
207.10269	4.4
208.07413	2.3
209.08206	81.7
210.08533	5.4
217.12408	3.3
219.06648	6.7
219.13654	0.8
221.08156	4.6
221.11842	1.0
231.10277	1.7
233.08237	5.6
233.15529	1.5
247.09850	1.1
249.11307	7.6
256.21786	0.7
257.15585	1.0
261.11288	6.5
273.15042	3.8
275.09286	1.2
275.16510	4.1
301.14423	10.6
302.14682	1.0
319.15521	71.9
320.15906	7.7
333.20685	1.1
359.18622	7.3
360.19119	1.0
377.19717	100.0
378.15610	1.1
378.20108	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	377.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48521	0.8
59.01377	1.0
59.45609	0.7
62.06471	0.7
68.98633	2.1
68.99037	5.4
71.05016	1.4
79.01880	1.2
83.01355	1.0
83.47514	0.8
85.02940	2.9
85.06599	2.3
87.04521	1.5
95.05032	6.5
97.02965	2.2
109.02911	0.8
109.06605	3.0
111.04528	31.7
112.04804	0.9
112.20689	0.7
121.06630	1.5
123.08179	3.1
125.06092	1.2
131.85358	0.8
135.08131	1.2
137.09734	54.8
138.10074	1.7
139.04031	8.4
139.07649	1.2
141.05592	2.4
165.09224	18.0
166.09364	0.8
177.09258	1.4
181.08676	1.9
191.07254	1.8
200.48997	0.8
203.14397	2.7
207.06647	3.4
209.08197	73.5
210.08551	4.0
221.08214	16.4
221.15486	2.4
222.08479	1.2
262.08484	1.4
265.14502	1.3
272.55048	0.8
275.79645	0.8
289.10892	1.9
306.70453	0.8
359.14786	1.5
359.18808	1.7
377.19717	100.0
378.12677	0.9
378.20044	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	377.2337
Annotation	17-Acetoxygrindelic acid
Peak:m/z	Relative Intensity
53.16983	0.8
54.58186	0.9
55.71414	0.7
61.98822	2.3
69.25029	4.0
88.55640	1.3
101.23595	0.7
129.33803	0.8
159.46059	0.8
174.03703	0.9
219.97746	1.3
273.22217	1.2
282.05319	2.3
289.25320	2.1
297.07660	2.1
313.25449	3.9
333.24377	85.4
333.27866	4.4
334.24692	9.8
359.26007	1.6
377.23297	100.0
377.27151	18.6
378.23645	13.6
378.27524	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	378.0468
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	65.1
69.29109	100.0
96.96007	15.7
98.22618	14.0
110.08274	14.7
125.02435	33.0
152.99759	15.0
169.01471	38.8
170.01849	13.0
227.03508	35.9
239.55228	13.9
255.03046	57.3
271.02490	16.9
276.78900	16.6
283.71625	15.3
284.03391	82.0
299.05621	83.1
300.02539	40.4
315.05115	56.6
353.24408	13.9
366.29974	12.7
379.17233	16.8
379.21219	23.3
379.25314	20.1
394.95346	14.0
395.60483	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	378.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68498	1.9
56.77624	1.7
59.01369	4.1
61.98514	3.9
61.98835	71.5
71.01400	3.2
79.95756	2.1
91.79556	1.8
93.96385	1.8
95.01376	2.2
96.96015	100.0
108.02184	10.0
122.97604	7.9
123.00889	6.2
123.04537	4.9
125.02463	7.8
137.02385	2.4
139.00356	1.7
146.45296	1.8
150.97095	3.9
152.01167	19.8
167.03505	38.9
167.45157	1.8
169.01407	4.7
183.82384	1.9
202.45932	1.7
210.97183	4.2
210.99185	76.7
224.96570	2.0
275.01993	3.4
316.03787	2.1
379.03476	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	379.0345
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.6
62.67903	0.5
69.56197	1.9
71.01382	1.8
79.95732	3.9
80.96523	1.7
94.98112	0.5
95.01425	0.5
96.96019	100.0
98.72964	0.5
108.02178	9.4
110.11302	0.5
113.02489	0.7
113.53809	0.5
120.99654	0.9
122.97602	9.5
123.00918	1.2
123.04530	4.5
125.02459	2.1
150.97101	3.1
152.01170	26.8
153.01509	0.8
166.44781	0.5
167.03503	41.1
168.03853	2.1
169.01384	1.0
210.99196	78.2
211.99498	2.3
341.10919	1.2
358.25021	0.5
379.03412	13.6
379.08176	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.067
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	45.9
66.27492	18.9
69.69791	100.0
71.01357	31.1
71.27812	21.0
75.00877	22.0
82.60158	20.4
88.98808	74.3
91.24977	20.5
96.96008	31.0
98.21879	23.9
101.02450	26.7
101.20969	22.3
116.80711	20.4
120.99667	37.9
123.00931	28.2
125.02428	66.8
135.04503	50.7
169.01450	36.8
177.01854	30.4
183.63901	19.9
198.92548	38.5
240.93585	62.2
314.00320	23.9
334.05310	23.5
350.04248	28.8
378.96823	38.9
379.04297	77.0
379.16574	43.3
379.21472	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.067
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	45.9
66.27492	18.9
69.69791	100.0
71.01357	31.1
71.27812	21.0
75.00877	22.0
82.60158	20.4
88.98808	74.3
91.24977	20.5
96.96008	31.0
98.21879	23.9
101.02450	26.7
101.20969	22.3
116.80711	20.4
120.99667	37.9
123.00931	28.2
125.02428	66.8
135.04503	50.7
169.01450	36.8
177.01854	30.4
183.63901	19.9
198.92548	38.5
240.93585	62.2
314.00320	23.9
334.05310	23.5
350.04248	28.8
378.96823	38.9
379.04297	77.0
379.16574	43.3
379.21472	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0826
Annotation	(+)-Parviflorol
Peak:m/z	Relative Intensity
50.58310	0.8
59.01371	0.9
61.98835	5.3
67.86921	0.8
71.29741	1.5
81.03427	0.9
93.03460	3.7
96.95993	1.4
100.63742	0.9
108.02181	4.3
109.02956	11.6
110.73814	0.8
121.02966	10.6
123.04547	1.4
125.02469	1.3
135.04527	4.2
136.01678	4.2
137.02461	32.5
137.03511	1.7
141.06979	1.0
143.04987	1.5
146.03677	1.1
147.04596	1.5
149.02441	3.5
150.03223	3.7
158.03793	0.9
159.04536	6.3
161.02510	2.0
161.06036	2.8
167.03510	0.9
167.04965	1.9
171.04451	1.4
173.06094	3.0
174.03212	1.1
177.01891	1.1
182.02293	1.5
183.04552	4.2
184.05182	0.9
185.06096	3.8
187.04013	4.1
189.05603	1.2
197.06056	2.5
198.06589	0.9
199.04010	3.8
201.05566	3.3
211.04039	10.0
212.04776	4.4
213.05576	4.3
215.03542	1.9
220.05309	0.8
224.04924	1.0
225.05566	2.4
227.03476	5.0
228.04323	5.6
229.05074	49.0
230.05435	3.9
239.03491	1.9
240.04266	2.3
241.05075	14.9
242.05473	2.0
243.03003	3.3
247.91882	0.9
249.05495	1.3
251.03474	1.1
252.04164	1.2
253.05072	2.0
255.03047	2.3
256.03748	2.0
257.04553	9.6
263.07193	1.9
265.05170	1.6
265.08591	1.0
266.05753	1.7
267.06662	3.7
269.04568	5.7
270.05167	1.6
275.07114	1.5
277.05124	1.6
281.04562	1.1
290.05844	1.4
291.06757	4.7
292.06982	1.1
293.04657	2.0
293.08054	1.6
294.05273	1.9
295.06128	8.6
296.06671	1.6
300.02634	1.7
305.08212	1.0
308.06979	1.2
309.07715	1.9
311.09274	1.6
315.06567	1.5
317.07538	0.9
319.05948	1.9
321.04034	1.9
332.06946	0.9
333.07700	2.6
335.05246	0.9
337.07114	1.6
343.06250	1.2
351.08768	1.8
361.07318	6.0
379.08234	100.0
379.17273	2.9
380.08673	13.6
402.12381	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47762	1.5
55.01868	2.1
57.03444	2.2
58.00598	2.5
59.01380	65.2
61.98833	14.6
68.99815	2.5
69.03455	3.8
70.80869	3.5
71.01386	70.5
71.05009	5.9
72.99323	8.6
73.02937	7.9
75.00881	24.8
78.20276	1.6
83.01380	7.5
85.02957	37.2
85.06577	7.6
87.00880	13.2
87.04519	2.6
88.04018	5.0
89.02451	26.8
91.71986	1.8
95.01376	15.4
99.00885	15.0
99.04537	3.1
101.02442	16.9
103.00365	3.5
106.84573	1.6
109.02892	1.9
111.00852	2.8
113.02457	43.2
117.01963	3.5
119.03493	7.4
120.99627	8.9
123.00874	10.3
125.02431	7.0
125.06037	2.1
129.01936	2.7
129.05585	85.9
137.09703	2.3
139.00362	2.2
143.03468	2.2
146.07129	3.3
146.08232	50.9
149.02495	1.8
157.01349	2.4
161.04529	4.0
163.04062	2.1
169.01443	5.3
170.01817	2.5
171.47015	1.6
175.02521	2.9
179.05547	3.6
199.09686	3.7
205.07198	2.9
217.10675	3.6
231.05089	4.6
249.03767	2.9
249.06171	37.1
250.06471	1.7
267.07230	17.5
275.01987	2.7
300.99838	2.8
304.02313	1.9
307.13794	1.8
308.13492	5.6
316.03024	5.0
316.53403	4.5
317.03510	1.8
361.11249	2.2
361.15063	2.5
362.14349	2.3
379.12381	100.0
379.16251	26.6
380.15768	93.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1401
Annotation	Gibberellin A89
Peak:m/z	Relative Intensity
54.04918	0.8
55.01868	1.4
57.03459	0.8
59.01384	2.1
83.05025	1.5
85.02959	15.5
85.06602	5.8
87.00882	4.5
87.04519	4.1
95.05030	4.8
107.05046	3.4
109.02959	15.4
109.06593	2.3
109.50574	1.0
111.03754	1.5
111.04524	30.9
112.04859	1.2
113.02464	4.8
113.06094	6.1
118.14442	0.9
121.06602	1.1
123.04541	2.8
123.08160	4.2
125.02454	9.4
125.06136	0.9
134.03749	0.9
135.04532	4.1
135.08189	2.0
137.02437	1.2
139.00432	1.2
139.04076	1.4
139.07607	1.6
141.05565	1.7
143.03458	1.7
149.06033	1.1
151.11311	0.9
152.04721	1.3
153.05588	1.6
153.09181	0.9
155.07147	10.2
161.06160	1.6
161.09698	3.1
162.03210	2.0
163.07632	5.4
175.04060	1.0
177.05594	3.1
177.09233	7.8
179.03577	1.8
179.07143	32.6
179.10744	3.1
180.04289	1.3
180.07550	2.1
181.05136	1.5
181.08722	3.6
183.06633	19.7
187.07811	1.0
190.06346	3.1
193.08694	3.7
195.06636	25.0
195.10429	1.0
196.07007	1.1
196.71387	0.7
197.08195	14.6
198.08546	1.6
203.07138	1.3
203.10739	1.9
205.05049	3.5
205.08713	22.9
205.72740	0.8
206.09210	1.3
207.06654	1.7
208.07478	1.6
219.06546	0.9
221.08244	2.8
223.06267	10.7
223.09753	24.6
224.06583	0.9
224.10080	2.2
225.07642	1.6
230.09448	0.8
231.06636	1.7
232.07352	1.5
234.29697	0.9
245.08185	1.4
246.08989	1.5
247.09760	2.8
249.07669	10.7
249.11415	0.9
273.07800	2.3
273.11536	1.0
273.14746	1.4
274.08386	0.9
275.12982	1.0
289.14474	1.1
291.08765	2.8
309.13306	1.9
317.13901	12.5
318.14285	1.5
319.11850	1.8
328.42755	0.9
361.12997	12.6
362.13214	1.6
379.13986	100.0
380.14282	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	379.1401
Annotation	[3aR-(3aR*,4S*,5R*,6E,10S*,11R*,11aS*)]-2,3,3a,4,5,8,9,10,11,11a-Decahydro-5,10,11-trihydroxy-6,10-dimethyl-3-methylene-2,9-dioxocyclodeca[b]furan-4-yl ester  2-methyl-2-propenoic acid
Peak:m/z	Relative Intensity
50.34309	0.7
52.81219	0.8
55.01880	1.3
56.67972	0.9
57.03443	1.0
59.01384	1.3
67.39838	0.8
71.01368	0.7
79.01891	2.7
85.02955	7.1
85.06605	3.8
87.04510	2.6
95.05030	4.6
95.13026	0.8
95.83405	0.8
99.00880	3.6
107.05017	1.7
109.02962	6.5
109.06606	3.7
110.03731	0.9
111.00889	2.5
111.04532	31.7
111.08148	1.6
113.02486	5.4
113.06100	3.8
121.06554	0.9
121.22884	0.7
123.00927	1.0
123.04538	4.9
123.08155	3.7
124.01686	1.1
124.05312	1.1
125.02446	6.1
125.06102	1.2
129.02007	1.4
134.03748	1.2
135.04504	1.4
137.02415	1.9
139.07611	1.8
141.05557	2.1
151.00360	3.2
151.11284	1.1
152.04773	1.3
153.05579	2.3
153.09216	1.6
155.07138	2.4
161.09735	7.1
163.07599	1.0
164.08464	0.9
165.05600	1.6
166.06335	1.3
175.07660	0.9
177.05605	7.1
177.09190	3.7
179.03572	1.2
179.07155	21.4
179.10777	6.3
180.04152	1.3
181.05099	1.6
181.08727	6.7
183.06642	23.2
184.07066	1.4
193.08696	8.3
193.12370	1.0
194.05850	2.6
195.06633	40.2
196.06958	2.0
197.08215	24.4
197.09541	0.4
198.05341	2.1
198.08519	1.2
205.08710	3.3
206.09229	0.9
207.06628	1.0
209.08035	1.0
212.06999	1.1
221.07993	1.3
223.06203	1.7
223.09776	39.5
224.10117	2.3
233.08206	1.1
247.09796	1.0
249.07643	5.7
307.11859	1.1
317.14063	4.3
335.15012	2.8
361.12881	2.9
361.20255	0.9
379.13986	100.0
379.21097	12.4
380.14407	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1611
Annotation	3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
54.88615	1.0
56.63473	0.9
57.03462	1.1
58.00594	3.7
59.01384	82.7
69.03465	1.1
69.37274	5.3
71.01387	58.4
72.01721	1.4
72.10796	1.0
72.99289	2.7
73.02580	1.4
73.02956	16.0
83.01391	2.6
85.02969	9.3
87.00881	2.4
89.02453	100.0
95.01395	3.4
97.02977	1.6
99.00890	23.1
101.02454	39.6
113.02458	17.3
115.03995	1.4
119.03522	18.1
123.00871	2.1
125.02478	8.0
131.03519	14.0
137.02457	1.1
143.03493	5.0
149.04568	43.4
150.04912	1.1
161.04567	3.6
169.01515	1.3
172.96329	1.0
179.05620	8.6
191.05678	11.5
199.54053	1.0
217.05058	1.0
217.07146	1.0
221.06735	2.2
221.08755	1.0
233.06465	1.6
247.11844	5.0
251.07719	2.5
272.78992	1.0
301.07199	4.0
306.49115	0.9
315.53027	1.0
316.09616	1.1
316.53491	2.5
317.03458	1.4
327.00626	1.0
331.11871	2.6
379.16129	24.0
380.16626	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	379.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.9
56.65455	1.6
57.03449	3.4
58.00582	4.0
59.01382	100.0
61.65966	1.4
69.21845	4.3
69.22264	5.7
71.01388	74.4
72.99294	4.3
73.02955	19.1
83.01395	7.8
85.02956	21.1
87.00870	4.0
89.02448	76.5
95.01374	5.0
97.02979	3.0
99.00893	11.1
101.02447	53.3
105.63699	1.6
111.00943	1.9
113.02460	30.9
119.03514	24.1
125.02450	3.3
131.03517	12.2
137.02368	1.6
137.09689	2.0
138.43539	1.7
143.03497	4.9
149.04579	17.4
151.99217	1.6
155.10800	4.8
157.08755	2.0
159.03004	2.5
161.04570	16.0
179.05626	11.6
191.05557	3.5
199.09752	7.9
217.10849	3.1
233.06667	2.8
247.11873	38.2
248.12259	1.9
280.17798	1.5
379.16080	53.0
379.23486	6.0
380.16611	3.7
380.23688	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	379.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	100.0
59.01383	97.1
62.73918	1.8
67.18246	1.6
68.25848	1.7
69.03438	2.4
70.62832	2.1
71.01384	28.3
72.99297	4.4
73.02956	12.7
76.01290	1.9
81.03452	3.9
83.01403	8.7
85.02953	11.1
89.02462	9.5
95.01385	4.2
95.05051	13.1
97.01623	1.6
97.06595	41.1
99.00891	4.2
99.04525	66.5
101.02447	43.0
111.04516	2.6
111.24474	1.8
113.02477	10.4
115.07647	5.1
117.05584	3.7
119.03519	2.8
120.99655	3.5
125.02455	19.6
127.11321	2.4
135.04489	1.8
143.03510	2.4
146.94136	2.1
151.04054	3.6
155.10777	2.4
159.03021	2.2
159.06624	22.2
161.04536	7.5
161.67145	1.8
167.65198	2.1
171.10316	2.7
176.04724	2.1
183.06700	1.8
199.13342	3.0
209.43320	2.0
217.10799	9.4
217.14362	10.3
222.16429	1.6
222.78404	1.8
223.43439	1.9
235.11932	28.2
237.09702	2.8
303.92621	2.1
379.15991	31.5
379.19766	42.4
380.20154	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93171	0.4
57.03450	1.6
57.38176	0.3
58.75151	0.4
59.01377	1.5
69.03454	0.7
71.01392	2.3
71.05017	0.8
72.99316	1.8
73.02952	1.3
81.03458	0.9
83.01386	0.6
83.05041	0.5
85.02954	11.1
85.06601	0.8
86.19693	0.5
87.00883	7.0
87.04517	1.7
97.02992	0.9
99.04545	1.0
101.02443	3.1
109.02988	1.1
109.06618	0.4
111.04526	2.9
111.08186	0.5
113.02479	0.8
113.09733	11.5
113.51774	0.3
115.04037	1.2
125.02464	1.7
125.06150	0.4
125.09690	0.5
143.03511	85.5
144.03874	2.6
154.27409	0.4
155.07164	0.8
166.06383	1.1
177.09206	0.7
179.07150	1.8
181.08717	100.0
182.09032	5.0
183.06636	1.2
195.06615	1.4
197.08191	1.6
205.08743	1.3
223.06186	0.8
223.09769	1.3
241.92157	0.4
249.07664	0.8
309.13406	1.3
317.13876	0.9
335.14926	0.5
335.18771	0.7
361.13074	0.8
379.13901	6.8
379.17776	2.5
379.21341	1.6
391.74008	0.5
397.96384	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1764
Annotation	2,3-Didehydrocinnzeylanone
Peak:m/z	Relative Intensity
52.24258	0.2
57.03192	0.4
57.03451	5.6
60.67448	0.3
66.54949	0.3
66.60275	0.3
69.03459	0.6
69.81607	1.1
83.05019	0.5
93.92084	0.3
95.05058	0.7
97.06599	1.2
106.04263	1.1
111.08128	0.3
121.06574	0.7
123.08109	0.4
132.05804	0.6
133.10262	0.5
159.04491	0.4
161.09743	0.8
163.11340	0.4
180.10457	0.3
191.14436	0.8
201.12819	0.4
203.14432	0.9
213.12857	0.6
219.17606	0.3
231.13934	3.8
232.14301	0.4
233.15459	1.2
241.15915	0.8
243.17586	2.5
247.03564	0.3
247.13416	1.6
261.18591	4.4
273.18610	1.5
287.16489	0.4
289.18082	0.4
291.19598	2.3
299.16446	0.4
300.02689	0.6
307.19131	1.0
317.17615	2.0
335.18610	6.2
336.18924	0.6
361.16608	1.6
379.17627	100.0
380.18002	10.5
399.71738	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1764
Annotation	2alpha-Tigloyloxydugaldiolide
Peak:m/z	Relative Intensity
57.03445	1.1
59.01365	1.1
67.01886	1.9
69.03463	1.3
69.09408	7.5
70.05488	1.0
71.05025	37.7
73.85718	0.9
81.03465	27.9
82.03791	1.6
84.02145	1.6
85.02959	1.5
87.04506	2.0
96.96037	1.0
99.04530	17.6
109.02975	0.8
111.00180	1.5
111.00890	19.4
111.04505	3.2
111.08835	0.9
113.09668	1.1
113.32394	0.8
118.88114	0.8
123.08136	1.2
125.02446	14.1
139.04039	1.1
143.03508	100.0
144.03857	2.6
181.08727	5.1
183.06648	1.7
186.34943	1.1
195.06598	2.2
201.09267	1.2
209.08148	1.8
210.09720	0.9
223.09770	1.1
233.11931	1.3
244.14902	0.9
251.09119	1.2
259.16986	3.3
275.16513	3.6
277.10892	4.5
292.13077	2.0
300.79547	0.9
301.02335	1.0
303.15906	2.4
335.18628	3.2
347.14944	8.5
361.16400	1.2
379.13910	1.2
379.17386	18.7
379.22205	5.6
379.25412	1.5
380.17551	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2127
Annotation	CHEBI:67681
Peak:m/z	Relative Intensity
50.47610	0.3
52.84424	0.3
57.03453	2.2
57.64983	0.3
59.01363	0.3
69.17459	0.5
69.17859	1.9
71.01368	1.1
72.99296	0.3
85.02957	3.4
85.06595	1.9
87.04511	1.7
95.01399	1.4
97.06599	1.4
98.22544	0.6
107.05017	0.4
109.06564	0.4
111.00900	2.0
111.04527	8.0
111.08146	0.5
112.04855	0.5
113.02450	0.8
113.06094	1.8
123.00900	0.5
125.02357	0.3
125.09699	0.7
127.07607	0.4
137.06096	0.4
137.09714	0.7
139.07602	1.0
141.05594	1.9
151.11299	3.5
152.04732	0.5
152.06738	0.3
152.11530	0.3
153.05492	0.3
153.75267	0.3
161.09779	0.4
163.07620	0.3
163.11322	0.4
165.05586	8.0
171.73691	0.3
177.05544	0.5
177.12845	0.4
179.03699	0.3
179.07233	0.7
179.10728	0.4
181.05075	1.4
183.06635	3.2
191.07210	0.6
195.06645	2.6
197.08322	0.4
203.14427	0.7
205.08757	0.3
205.12411	0.4
205.15996	1.1
207.06641	0.3
207.13957	0.9
216.07945	0.5
219.06657	0.3
221.15463	2.7
223.09743	1.3
223.17067	0.5
225.14906	0.6
239.16557	2.9
240.16728	0.4
249.71185	0.3
291.16019	3.3
297.07690	0.3
309.17050	0.4
335.26135	0.4
343.19250	0.5
361.20120	2.5
366.79233	0.4
379.14478	3.6
379.21265	100.0
380.14307	0.6
380.21609	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	379.2493
Annotation	Cordobic acid 18-acetate
Peak:m/z	Relative Intensity
58.36432	0.6
89.06194	0.8
96.96026	5.5
153.01862	1.2
180.27425	0.6
241.56125	0.7
277.01254	0.7
317.24860	0.7
335.25940	77.2
336.26245	9.7
379.17407	2.8
379.24942	100.0
380.25269	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	380.1564
Annotation	trans-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
55.01881	0.8
58.00597	0.8
59.01099	1.0
59.01386	22.7
69.36012	3.6
71.01387	38.0
71.05025	8.4
72.99294	1.0
73.02943	1.5
83.01404	1.3
83.38885	0.7
84.16364	0.5
85.02964	4.1
87.16086	0.6
88.04058	5.7
89.02456	8.1
95.01390	1.3
99.04536	2.7
101.02455	8.5
113.02473	5.5
116.07178	1.0
119.03535	3.4
120.99672	1.3
128.07213	3.8
129.05588	1.6
130.05942	0.9
146.08241	62.1
147.08556	2.0
161.04617	1.0
182.97070	0.6
200.09462	0.7
218.10394	1.5
226.43610	0.6
263.11371	1.5
271.71255	0.7
308.13504	6.7
309.13708	0.9
362.14624	1.5
380.15668	100.0
381.16003	9.0
392.07135	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.9561
Annotation	Unknow
Peak:m/z	Relative Intensity
61.09063	0.2
69.06114	1.7
79.30351	0.3
79.95747	0.3
81.79169	0.2
117.03481	0.3
121.19452	0.2
125.02484	0.3
129.03520	0.3
135.04561	0.6
145.02942	0.6
147.04532	0.4
157.02968	0.5
163.04131	0.3
163.44069	0.3
165.31857	0.2
166.56549	0.2
173.02443	1.1
179.95251	0.2
181.05084	0.6
185.02452	2.5
189.01936	0.3
200.01129	0.3
201.01958	2.6
213.01932	0.3
213.05811	0.3
217.01399	0.6
217.05003	0.3
217.73779	0.2
218.05789	0.6
226.99898	0.7
229.01414	4.1
233.08252	0.9
245.01004	1.5
254.99495	0.4
257.00943	1.6
261.07703	1.6
273.00443	0.4
283.99646	3.1
291.09015	0.3
299.99124	2.6
300.99908	100.0
302.00238	7.8
380.95590	0.9
381.11935	1.0
381.19110	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.9924
Annotation	Quercetin 7-O-sulfate
Peak:m/z	Relative Intensity
51.74868	0.6
63.02399	2.7
65.00317	5.8
69.45268	0.4
83.01388	3.9
83.59526	0.4
93.03452	1.3
107.01398	12.1
108.01701	0.5
109.02948	0.9
115.48923	0.5
121.02177	0.8
121.02962	11.0
123.57905	0.5
125.02459	0.5
149.02426	1.4
151.00375	54.1
152.00706	1.6
161.02432	0.9
163.00424	0.6
164.01157	1.0
169.01390	1.0
178.99869	21.6
180.00153	0.6
187.04057	0.8
193.01398	1.2
213.90785	0.5
229.05006	1.4
245.04533	1.4
257.04581	0.6
273.04068	3.1
301.03546	100.0
302.03879	6.2
379.95135	0.5
380.99240	18.9
381.99844	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.9925
Annotation	Quercetin 3-sulfate
Peak:m/z	Relative Intensity
50.96439	0.6
52.96358	0.6
52.97168	0.6
59.01382	1.5
63.02389	0.6
79.95762	1.4
83.01400	0.9
93.03449	0.6
96.96014	8.3
98.21711	1.2
107.01398	2.8
109.02981	3.3
111.79087	0.6
121.02968	1.9
123.00857	0.8
125.02463	0.9
127.62244	0.7
135.04547	3.6
137.02426	0.9
139.03999	1.4
147.00883	0.7
149.02419	2.9
151.00377	10.1
163.00412	1.0
165.01791	0.9
171.66209	0.6
175.04066	0.7
178.99850	2.7
187.03929	0.8
211.04300	0.7
229.05154	1.0
241.04982	1.0
245.04541	1.0
259.06110	2.2
301.00101	7.1
301.03531	100.0
301.20169	0.9
302.03848	7.9
321.21536	0.8
339.08801	0.7
380.99234	4.5
381.09933	2.5
381.15759	4.3
381.19305	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	381.0289
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.4
61.98791	0.6
63.02386	1.2
63.97219	0.4
65.00329	6.9
67.74598	0.4
69.14977	2.6
77.57547	0.4
83.01387	1.6
89.00340	1.2
90.35504	0.5
91.01893	1.5
93.03442	0.7
96.96011	13.5
96.96629	0.8
97.02953	4.0
98.22526	1.0
107.01418	3.5
108.48606	0.5
109.02982	0.5
112.01624	0.5
121.02969	6.4
134.03728	0.9
135.04536	100.0
136.04842	4.0
139.04005	1.1
148.71072	0.6
149.02452	0.7
149.99609	1.9
151.00394	11.2
161.02458	2.2
165.01947	27.3
166.02341	1.2
169.01457	1.1
177.84483	0.4
178.99869	5.1
183.02974	2.9
221.19115	0.5
237.18521	1.2
239.20193	1.8
265.18130	0.5
273.04080	0.8
283.19208	1.4
301.00070	1.2
301.03564	23.6
301.07217	46.4
301.20175	5.5
302.03928	1.9
302.07544	4.3
319.18967	0.6
363.18225	2.2
380.98248	2.7
381.03113	9.0
381.15839	10.6
382.03076	0.9
382.16309	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69706	0.5
55.01886	6.1
55.02102	0.5
57.03459	6.2
58.00618	1.9
59.01381	39.6
60.01737	0.9
61.32278	0.6
65.41209	0.5
69.03458	1.6
69.25935	3.9
69.57518	0.6
71.01385	49.7
71.05047	0.9
72.01742	0.9
72.99319	3.1
73.02952	23.8
73.06604	0.7
75.00893	1.3
83.01390	18.3
85.02954	26.4
86.00113	1.1
87.00885	3.4
89.02457	9.5
91.02894	0.9
95.01392	4.1
97.02992	1.9
99.00885	10.3
99.01467	0.8
101.02448	57.8
102.02827	1.4
103.04057	1.7
103.93615	0.6
109.02993	0.9
111.00906	1.2
113.02456	20.6
119.03529	2.1
120.99666	10.0
125.02457	7.3
129.01976	0.8
131.03569	1.0
137.09723	1.2
139.20030	0.5
141.06750	0.8
143.03526	2.5
145.05045	0.8
159.03014	4.4
161.02458	1.4
161.04564	20.6
161.05904	1.3
163.06209	0.9
181.08696	0.6
192.51251	0.6
205.03526	0.8
219.15924	0.9
229.07150	1.0
231.03128	0.7
233.08296	0.6
235.11884	100.0
236.12247	5.2
247.08231	1.3
248.03258	1.3
249.13419	1.0
259.11902	4.5
263.05588	1.0
272.17596	0.6
278.08044	1.1
279.10815	1.2
286.05109	0.7
290.04486	0.9
296.79556	0.5
301.03745	2.8
301.06653	0.6
337.09427	0.9
381.12372	1.9
381.17551	25.5
382.10663	0.9
382.17892	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.7
59.71246	0.3
69.32815	1.8
71.01365	1.1
73.02952	1.5
77.03965	1.5
79.01869	0.5
83.01433	0.3
85.02946	0.6
85.06607	0.4
98.22488	0.7
105.03433	0.6
107.01334	0.4
109.06585	0.8
111.04523	4.9
119.05061	0.4
121.02961	2.0
137.09708	0.4
139.04063	1.6
149.02437	2.1
153.05592	0.5
163.04041	1.6
165.02026	0.5
173.06075	0.4
174.06830	0.5
175.04039	0.6
175.11270	1.1
189.09184	0.5
191.03487	0.5
195.06668	0.6
209.08194	15.6
210.08601	0.8
216.00537	0.4
217.05051	8.2
217.08495	0.4
218.05833	17.7
219.06262	1.7
233.08194	49.7
234.08499	4.3
241.14267	0.7
243.06628	1.7
259.06036	0.9
261.07684	100.0
262.05252	0.5
262.08002	7.5
273.07761	0.9
291.08643	1.4
305.10696	0.4
335.18777	0.7
363.18155	1.0
373.28467	0.3
381.11932	14.4
381.19220	14.7
382.12134	1.4
382.19446	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	381.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.6
65.00320	0.7
66.46719	0.5
68.43811	0.5
69.18272	3.9
71.01369	1.1
77.03995	0.8
95.01407	0.6
98.22556	1.2
105.03465	0.7
105.38211	0.5
107.01391	0.7
111.04540	1.1
114.30846	0.6
121.02953	1.3
125.02472	0.6
135.04536	1.4
139.04173	0.7
147.08119	1.4
148.40916	0.5
149.02402	1.6
151.00394	2.8
159.04662	0.6
163.04030	1.1
175.04073	0.7
178.99828	1.0
189.05673	0.6
189.09233	2.4
205.08861	0.7
217.05069	16.4
218.05864	25.0
219.06552	4.5
229.01451	0.8
229.05020	0.8
230.05838	0.9
231.06642	6.4
232.07256	1.2
233.08195	57.4
234.08521	3.1
243.06599	2.2
245.08183	4.6
258.05414	0.8
259.06021	1.4
261.07693	100.0
262.08054	7.6
264.06403	2.3
265.06613	0.6
273.07727	11.7
289.07022	0.9
291.08752	24.6
292.09204	1.7
300.99939	6.8
301.03558	9.0
302.00461	1.1
302.03854	1.0
303.08810	1.4
309.20743	7.4
310.20993	1.0
337.20276	5.3
381.11948	51.7
381.19247	18.6
382.12228	6.1
382.19580	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1194
Annotation	Inumakilactone C
Peak:m/z	Relative Intensity
69.43364	2.1
69.43783	0.8
69.99136	0.5
71.01400	0.6
77.03973	1.7
78.50562	0.5
79.01904	0.9
86.03962	0.6
98.21816	0.8
109.06588	0.8
111.04536	1.8
120.09940	0.6
121.02984	1.6
135.04468	0.7
149.02437	4.0
153.05566	0.6
163.04028	1.6
167.81215	0.5
173.02475	0.6
175.03972	0.7
189.03481	0.6
189.05467	0.5
189.09242	0.8
191.03673	0.8
203.03470	0.6
216.00772	0.9
217.05090	10.4
218.05840	25.4
219.06389	2.8
229.01401	0.9
229.39613	0.6
231.06572	0.7
233.08197	69.7
234.08534	6.0
236.01608	0.5
243.06555	2.9
259.06073	1.1
261.07690	100.0
262.08054	7.5
273.07663	2.9
291.08691	3.1
300.99918	19.8
302.00168	1.9
381.11914	49.6
382.12372	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	381.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49939	0.8
59.01389	9.3
61.98828	3.3
70.36047	2.2
71.01385	5.6
71.01710	0.8
72.00926	1.8
86.02483	1.6
89.02450	5.0
92.05075	1.9
98.22494	1.0
100.04015	0.9
101.02458	3.8
110.18351	1.2
113.02422	1.6
116.05085	3.0
119.03503	2.0
119.42326	0.8
120.04585	1.0
120.99680	0.8
125.02380	1.0
128.05078	2.0
130.06612	1.3
131.01770	1.0
131.03729	2.0
132.04599	7.3
134.06088	0.9
135.22482	1.0
142.06604	1.7
144.04575	7.8
145.05006	0.9
154.06610	2.2
155.06158	1.2
156.06932	6.3
157.07780	6.2
158.04958	1.5
158.06114	4.9
159.05637	2.6
160.04048	11.2
161.04538	1.1
167.06158	11.6
169.07764	3.0
170.06075	2.2
171.09283	9.9
172.04041	0.9
173.07225	9.2
176.07352	1.2
179.06053	1.8
180.06915	1.0
181.07721	53.8
182.06180	1.3
182.08015	3.2
187.08778	2.6
188.05980	2.3
197.07230	4.5
199.06892	1.9
199.08778	37.6
200.09106	1.6
201.06764	4.4
202.06976	1.1
213.06792	1.1
217.09767	2.1
219.07613	1.0
219.12398	1.3
226.05145	4.1
243.07738	25.6
244.08087	2.1
261.08801	100.0
261.80023	1.1
262.09219	6.9
273.08908	2.2
291.10013	1.3
319.12857	1.3
321.11810	1.1
363.11978	3.7
381.08557	1.8
381.13010	12.8
381.17587	5.7
382.13495	2.1
382.18143	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	7.2
57.11719	4.6
59.01385	100.0
61.98837	25.4
69.49339	21.8
71.01385	50.1
72.99319	5.5
73.02958	8.4
75.00849	5.4
78.91909	5.7
83.01389	6.3
85.02961	17.2
87.00884	10.4
87.02786	10.9
89.02457	38.7
93.03476	13.1
101.02463	31.6
102.98645	6.4
108.87320	5.0
111.00851	5.4
113.02471	19.8
119.03493	18.6
120.99670	8.2
125.02457	12.4
131.01778	5.8
131.03622	6.6
132.04578	5.5
137.02458	17.9
160.04002	6.8
161.04640	14.1
179.05624	5.9
181.07715	19.6
199.08791	14.3
201.11391	5.8
219.12355	16.4
223.05911	5.3
243.07832	10.6
261.08774	30.3
277.22922	6.6
321.12048	33.9
381.13589	11.3
381.17749	87.4
382.11102	7.8
382.18063	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	381.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10406	1.9
56.84784	2.3
70.62843	4.6
72.66022	2.3
72.92287	2.0
74.99079	26.2
75.96189	3.0
91.02216	46.7
93.00151	15.9
103.32619	2.1
159.08481	100.0
160.08517	3.3
161.06386	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	381.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.4
62.47232	0.2
63.02396	0.4
65.00324	1.3
69.27036	1.9
72.28062	0.3
79.95734	1.6
82.23954	0.3
83.01398	0.6
89.83458	0.3
96.96019	100.0
97.02959	0.5
97.95963	0.3
107.01390	1.5
113.09721	0.3
121.02953	1.7
125.02480	0.3
135.04536	9.3
136.04842	0.4
140.15141	0.3
147.04620	0.3
151.00381	5.3
152.00771	0.4
161.02472	0.4
162.61412	0.3
165.01923	3.0
167.37749	0.3
178.99918	2.0
191.55345	0.3
199.98973	0.3
221.19124	5.8
222.19450	0.5
229.05034	0.3
237.18779	0.5
239.20164	0.7
242.84918	0.3
243.06589	0.6
244.06841	0.6
245.07254	0.8
265.18088	4.2
283.16373	0.5
283.19186	5.5
284.19562	0.4
301.00134	0.6
301.03540	9.6
301.07178	4.5
301.20215	17.3
302.04019	1.0
302.07465	0.5
302.20685	1.7
302.23669	0.3
322.47128	0.3
380.99023	1.4
381.03015	1.0
381.15906	58.3
382.16196	5.0
395.82028	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.7
57.03453	4.6
58.00601	1.4
59.01385	27.1
69.43938	0.8
69.53516	2.6
69.58850	0.7
71.01387	15.6
71.05019	2.4
72.99291	1.1
73.02946	3.0
75.00891	1.1
83.01400	1.5
85.02951	5.4
85.06593	3.2
87.00874	2.0
87.04523	9.0
89.02455	12.2
95.01414	1.4
98.22504	1.1
99.00871	0.9
99.08137	1.7
101.02451	9.8
101.06087	4.3
113.02479	5.4
113.06082	6.0
115.04060	0.9
119.03491	3.6
120.99674	1.8
121.10207	1.8
129.05560	2.6
132.04556	1.6
133.05060	1.5
137.06166	1.4
139.11285	2.7
155.10783	1.9
158.06126	5.6
161.04590	1.0
183.10223	1.5
201.11365	13.0
202.05153	2.0
202.11522	0.8
219.10374	1.5
219.12407	22.4
220.12665	1.7
231.82243	0.7
243.63573	0.7
249.06189	1.6
321.09555	1.1
363.16611	6.9
381.17682	100.0
382.11359	3.1
382.18045	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	381.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	5.3
57.03446	4.1
57.93356	0.4
58.00594	1.5
59.01380	40.4
69.03459	1.3
71.01385	51.5
71.05027	0.7
72.01715	0.6
72.99313	2.9
73.02949	24.2
73.06572	0.6
75.00877	0.9
81.03437	0.5
83.01395	17.4
85.02952	26.4
86.00084	1.2
86.03297	0.6
87.00867	2.3
89.02450	8.2
95.01388	3.4
97.02979	2.1
99.00881	7.0
101.02450	55.3
102.02808	0.9
103.04006	2.1
108.65747	0.4
111.00877	1.1
113.02456	22.2
114.02740	0.5
115.04025	0.5
119.03451	2.3
125.02438	2.7
129.01968	1.4
131.03535	0.7
143.03508	2.8
145.05002	1.0
159.02997	3.2
161.04570	24.1
162.04893	0.5
163.06120	0.9
179.05696	0.6
229.07227	0.9
235.11870	100.0
236.12209	5.9
247.08250	0.9
258.40820	0.4
269.95291	0.4
279.10828	0.5
372.55545	0.4
381.17639	24.6
382.17950	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	381.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	4.8
56.57261	0.8
57.03438	3.2
58.00583	1.7
59.01382	35.3
60.01685	0.7
69.03449	1.4
69.21643	5.3
69.38938	0.8
71.01388	39.3
72.99288	1.2
73.02582	1.4
73.02956	20.5
73.86655	0.9
74.03247	0.8
83.01389	13.0
85.02478	1.7
85.02956	21.3
87.00873	1.6
87.76733	0.8
89.02473	6.2
95.01393	3.8
97.02931	1.7
99.00895	7.1
101.02450	47.6
102.02800	1.1
103.03980	1.9
113.02464	16.6
113.03178	0.6
119.03487	2.0
121.93067	0.8
123.04531	0.8
125.02438	2.0
129.01971	1.4
141.06725	1.6
143.03487	2.5
145.05080	0.8
159.03000	4.5
161.04576	16.2
173.06369	1.6
175.03899	0.9
185.05658	1.8
221.88922	0.9
231.03070	0.9
233.08356	1.9
235.11877	100.0
236.12175	6.2
243.84451	0.9
248.03224	2.0
261.07602	1.1
293.10556	2.5
381.12228	4.1
381.17609	18.6
382.10883	1.8
382.18256	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60732	0.6
55.01870	1.0
55.43679	0.7
57.03435	2.2
58.00600	1.1
59.01381	34.5
68.97958	6.6
69.03474	0.6
71.01386	20.7
71.05029	1.5
72.47498	0.6
72.99319	1.2
73.02943	2.9
75.00872	0.8
83.01372	2.1
85.02953	5.9
85.06569	1.2
87.00877	1.7
87.04510	2.0
89.02455	14.5
95.01383	2.2
98.21630	0.7
101.02446	13.4
101.06078	1.9
113.02462	6.8
113.06065	2.3
119.03487	5.3
120.99649	1.5
121.10217	1.0
129.09254	1.5
131.03490	0.8
132.04550	1.1
139.11305	1.7
155.10849	1.8
158.06120	3.4
159.02997	0.7
161.04500	0.9
173.61475	0.7
177.99504	0.8
183.10265	1.4
201.11322	14.4
202.05119	1.3
219.12384	8.7
233.00850	0.6
238.02660	0.6
253.40950	0.7
290.79349	0.6
291.14529	1.9
317.16153	0.9
333.85654	0.7
363.16577	7.5
381.17657	100.0
382.11383	2.5
382.18018	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	381.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	5.0
57.03432	3.3
59.01381	31.6
68.99143	5.8
68.99544	2.0
69.03458	1.1
71.01386	49.8
72.99284	3.1
73.02956	26.9
75.00860	1.5
81.03428	0.9
83.01399	12.0
85.02960	27.3
86.00078	1.8
87.00871	3.0
89.02446	10.6
89.16714	0.9
95.01369	3.7
97.02930	3.1
98.21632	0.9
99.00876	11.5
101.02451	56.2
109.02947	1.3
111.00861	2.5
113.01741	1.5
113.02470	22.0
115.03979	1.6
121.02991	1.2
123.04543	0.9
125.02428	4.3
129.01881	1.0
131.03487	3.6
135.04543	20.2
143.03461	2.8
149.04489	1.2
159.02995	3.9
159.04153	0.8
161.04581	18.1
161.24977	0.9
165.01952	5.2
175.03999	0.9
177.01866	1.4
215.00162	1.7
217.04994	3.1
218.05768	3.5
233.06053	0.9
233.08344	13.0
249.13441	100.0
250.13748	6.8
261.07687	17.7
288.09885	1.0
293.12323	1.0
300.99875	1.2
301.07211	4.3
337.20309	1.1
381.02728	3.5
381.12000	8.5
381.17615	69.4
382.12982	1.5
382.17957	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	381.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	5.4
57.03433	4.6
58.54969	2.0
59.01137	2.5
59.01385	31.7
61.68438	2.0
64.20830	2.3
71.01388	51.7
71.36835	3.4
73.02952	27.9
74.12146	1.9
75.52271	2.2
79.95780	2.0
83.01399	13.5
85.02972	23.8
87.00889	3.0
89.02451	8.3
95.01421	2.2
96.95996	3.9
97.02948	4.2
99.00898	11.3
101.02456	55.3
113.02465	21.1
115.04042	2.6
117.95625	2.3
125.02488	12.1
125.03255	2.3
131.03581	2.4
135.04543	23.2
138.54369	2.1
139.00374	2.5
143.03493	2.3
151.03911	2.1
159.02936	3.2
161.02455	3.3
161.04610	16.1
165.01915	4.4
166.65111	1.9
175.04019	3.1
177.02052	2.1
205.03615	3.1
215.00127	2.5
219.06560	3.2
222.86003	2.1
249.13457	100.0
250.13724	5.1
275.63464	2.4
276.95648	2.4
301.07077	5.3
381.02362	3.7
381.06833	4.3
381.12311	5.6
381.17679	49.2
382.18262	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	381.1919
Annotation	Viguilenin
Peak:m/z	Relative Intensity
57.37272	0.3
58.00594	1.3
59.01377	1.0
60.16901	0.4
65.20895	0.3
69.03463	1.7
71.01366	0.7
73.02954	1.0
73.77113	0.3
76.88256	0.4
77.83718	0.4
83.05037	0.4
87.04512	0.5
98.22632	0.8
113.06097	0.8
135.08195	0.5
137.09715	2.4
177.01894	0.5
191.14442	0.7
217.15991	0.8
233.08463	0.6
233.19191	1.0
245.19098	1.8
255.17601	0.6
257.15475	1.0
257.19110	1.0
259.17206	0.4
261.07684	0.4
263.20206	0.9
273.18600	1.3
275.20215	0.9
291.19757	1.0
292.19638	0.4
300.99957	0.4
309.20721	1.0
319.19235	0.9
335.18811	0.6
337.20230	35.3
338.20569	3.6
363.18234	0.7
381.19205	100.0
382.19513	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	381.1921
Annotation	Viguilenin
Peak:m/z	Relative Intensity
57.03448	8.1
59.01379	3.2
71.05016	3.8
71.28307	2.0
73.02962	1.8
85.02958	15.2
85.06593	45.1
85.77002	1.2
87.04523	67.3
89.02454	1.6
95.05045	5.0
99.08170	3.2
101.06100	3.6
109.06567	2.9
110.31982	1.5
111.04533	24.7
111.08179	2.3
113.09704	1.5
119.08658	2.9
121.06595	3.8
123.08168	33.1
124.08530	1.9
125.06084	4.4
125.09721	10.6
133.06577	1.4
135.04568	1.9
135.07219	2.9
135.08179	35.3
136.08510	1.9
137.06087	1.9
137.09714	3.2
141.09224	8.0
144.89490	1.4
146.52457	1.5
149.06062	3.9
151.07693	10.2
153.09233	8.3
163.07661	2.5
165.09219	3.3
165.12979	1.5
167.10785	14.9
175.11302	4.7
178.09932	2.0
183.06706	2.0
193.12346	28.8
195.10199	1.4
195.13969	1.7
197.11749	1.7
203.14412	40.1
204.14728	2.6
205.12334	2.6
209.08194	2.2
211.13414	47.9
212.13744	2.7
218.05779	2.0
221.15459	5.2
223.13405	3.6
231.13850	5.4
233.08217	6.3
239.12897	35.5
240.13326	3.0
249.15053	5.3
251.12907	1.9
261.07779	8.1
265.14481	2.0
281.75372	1.5
291.19717	19.9
309.20697	17.4
317.24869	5.0
319.19147	20.6
319.26520	11.3
320.19675	3.0
337.20242	16.9
381.11575	3.1
381.19186	100.0
381.26505	41.2
382.19507	12.1
382.26932	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	381.192
Annotation	Cinncassiol A
Peak:m/z	Relative Intensity
56.61577	1.6
57.03452	9.1
59.01377	3.2
69.51304	1.3
71.05013	3.8
72.18324	1.1
73.02940	2.7
83.04994	1.5
85.02948	12.0
85.06596	32.3
87.04520	72.4
89.02453	2.1
95.05025	5.0
98.22574	2.1
99.08148	2.3
101.06075	7.2
109.06580	3.0
111.04535	32.0
112.04823	1.5
119.08652	3.1
120.05823	2.9
121.06614	3.6
121.86157	1.3
123.08176	34.2
124.99136	1.3
125.06121	3.0
125.09720	8.5
133.06609	3.8
135.04553	2.6
135.08163	36.4
136.05266	2.1
137.06070	2.2
137.09698	2.8
141.09213	3.6
149.06064	5.7
151.07669	15.2
153.09184	8.8
163.07680	3.0
165.09132	3.3
165.12845	1.7
167.10765	14.2
175.11230	5.5
178.09943	5.3
179.10718	1.8
183.06563	4.8
193.12343	32.9
193.14056	1.2
195.13841	2.5
200.08354	1.5
203.14421	47.1
211.13397	51.1
212.13736	3.0
221.15448	4.6
223.13362	3.8
231.13832	4.5
233.08147	5.7
239.12885	44.1
240.13219	4.2
249.14969	5.8
253.55180	1.5
261.07669	10.4
265.14441	1.7
283.11896	4.2
291.19656	21.1
292.20038	2.4
309.20721	13.9
319.19144	29.1
320.19434	5.0
335.18774	2.3
337.20184	22.7
338.20569	3.2
363.18057	2.1
381.19165	100.0
381.27209	2.8
382.15021	1.8
382.19577	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	381.1922
Annotation	Cinncassiol C3
Peak:m/z	Relative Intensity
57.03447	1.7
59.01368	1.3
70.16451	0.6
71.01390	0.9
71.05025	0.4
71.24348	0.3
75.00868	0.4
80.13110	0.3
81.15736	0.3
83.05044	0.3
89.02452	0.4
91.00569	0.3
93.03460	3.5
95.04977	0.4
101.02444	0.5
102.91608	0.3
109.02944	0.6
109.06579	1.2
125.02434	1.5
132.04599	0.4
135.08205	0.4
137.02451	7.1
137.03500	0.4
139.03978	0.3
147.08221	0.6
158.06113	1.2
166.99858	1.1
168.00638	0.5
177.01854	0.7
179.03572	0.5
183.02980	0.6
202.05174	0.5
210.01674	1.6
219.01303	0.5
220.06212	0.5
225.04062	2.7
231.13852	0.3
233.15327	0.8
246.53667	0.3
285.06299	1.6
299.07651	0.4
337.20236	4.7
338.20303	0.5
363.13678	0.8
363.18127	10.0
363.22681	0.7
364.18497	1.0
379.18021	0.4
381.19199	100.0
382.11719	0.8
382.19537	10.0
397.36041	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01713	1.6
71.01380	4.1
71.28487	2.3
78.95924	2.1
85.02954	2.7
96.95987	1.4
101.02455	3.9
111.04528	4.1
113.02448	1.7
123.08157	2.7
133.02953	1.2
137.06035	1.2
139.03979	2.4
145.02954	3.3
152.99588	3.3
160.01660	4.2
161.02467	23.5
161.04553	2.8
163.04062	1.9
163.07571	1.3
167.07086	1.9
175.02625	1.3
175.04060	3.3
176.04770	4.9
177.99077	2.6
179.07117	1.3
181.05080	6.1
187.03975	2.4
188.01172	7.3
189.01953	22.4
190.02278	1.7
191.03488	1.5
191.07138	2.4
193.01434	4.3
203.03598	6.3
203.07181	2.8
204.04256	2.2
209.08168	9.3
217.05080	4.1
218.05798	8.1
219.06445	3.1
220.03777	1.5
221.04607	2.7
231.02992	1.6
232.00084	1.4
233.08183	23.9
234.08531	2.9
246.05397	2.1
247.02541	1.3
248.03275	60.0
249.03607	5.2
259.99713	2.1
261.07715	35.6
262.08038	1.7
263.05634	19.5
264.06006	1.8
273.03928	2.1
275.02118	6.9
278.07965	28.5
279.08310	2.7
290.04285	6.5
291.04892	1.4
293.10464	3.1
305.06583	6.2
307.04498	2.2
321.19257	7.8
322.07089	5.5
323.07239	1.2
337.09296	19.0
338.09729	3.3
381.11911	16.7
381.19244	15.1
382.11969	2.2
382.19592	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	13.1
65.81433	0.6
69.46877	2.6
69.47295	1.5
70.10257	0.6
71.01389	10.4
72.99321	1.4
73.02947	2.6
74.02462	1.1
75.00878	20.2
76.77703	0.7
83.01400	2.2
85.02934	4.0
87.00879	16.9
89.02442	6.2
95.01417	1.2
99.00890	1.0
101.02457	6.3
111.00921	0.9
113.02480	4.0
115.05542	7.0
116.05075	2.7
119.03503	2.4
120.99678	1.7
123.04630	0.8
125.02429	1.7
130.06621	7.7
132.04568	28.7
133.04881	1.5
136.07645	0.9
141.06728	1.7
144.04568	1.1
145.01437	1.1
157.05272	1.1
158.06125	100.0
159.06506	6.2
161.04700	0.8
167.03700	0.8
169.01376	1.1
172.00189	1.2
174.05591	3.0
176.07104	0.9
185.05585	0.8
202.05113	49.2
203.05440	2.6
220.06209	9.2
237.06175	9.5
249.06165	10.4
250.06442	0.9
262.07196	1.1
382.11444	47.7
382.17819	5.8
383.11765	4.5
383.20874	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	382.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.8
58.05127	0.6
59.01381	13.0
69.19818	4.4
71.01387	9.0
72.99323	1.0
73.02929	1.6
73.59712	0.6
75.00878	20.2
83.01405	1.1
85.02962	3.0
86.70792	0.6
87.00880	15.2
89.02451	4.6
99.00912	0.6
101.02453	4.6
106.89719	0.6
113.02440	3.3
115.05547	8.5
116.05063	2.8
119.03498	1.4
123.04533	0.6
130.06622	8.3
131.03697	0.8
132.04567	26.3
133.04944	0.7
144.04536	1.3
146.06146	1.2
157.05344	0.9
158.06131	100.0
159.06448	4.7
161.04547	1.1
172.66257	0.7
174.05635	3.3
179.33481	0.8
193.08618	1.0
202.05118	43.6
203.05440	2.0
220.06183	8.7
221.11804	0.9
237.06180	6.6
249.06163	10.7
250.06546	0.7
262.07092	1.5
263.67874	0.7
337.18692	1.0
382.11459	44.8
383.11838	3.6
383.21323	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0081
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23162	0.8
57.03454	1.2
63.02415	3.0
65.00332	10.1
66.89063	0.7
69.63908	2.7
69.64261	0.7
73.02985	0.7
79.95744	1.2
83.01393	5.3
93.03461	0.8
95.05028	1.0
96.95999	0.9
107.01395	17.7
107.05107	0.8
109.02999	1.6
110.33682	0.7
121.02982	0.9
123.04555	5.5
123.08172	1.0
124.01682	1.1
125.02467	17.0
137.02394	0.8
139.03995	3.6
149.02454	1.1
151.00389	100.0
151.04021	99.1
152.00690	3.6
152.04358	4.2
152.10059	0.7
153.01913	1.0
163.00490	0.9
169.01482	1.2
175.03976	2.6
177.01932	3.9
178.99866	1.5
179.03528	2.1
196.78983	0.8
199.04018	1.9
215.03395	0.8
217.04936	1.7
221.08217	0.8
230.99582	1.5
241.05032	1.0
261.80310	0.8
263.08401	0.9
285.04129	7.3
301.03552	2.4
303.05148	66.2
303.08334	2.5
304.05493	5.4
383.00720	56.6
383.04459	3.5
383.16922	1.6
384.01065	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	383.0081
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82311	0.9
55.68989	1.1
57.03448	10.4
63.41736	0.9
65.00310	2.4
70.93342	1.4
79.95742	1.5
83.00874	0.8
83.01389	5.7
107.01388	2.8
109.02949	3.5
121.02925	1.4
123.04524	4.4
124.01633	1.1
125.02458	100.0
126.02748	3.1
135.04543	3.0
135.57193	0.9
137.02431	2.1
139.04056	1.9
143.04973	1.2
149.02448	4.8
150.03236	2.6
151.00383	13.9
151.04010	12.6
152.01163	5.4
153.01945	12.7
161.02478	1.8
171.04430	1.2
174.03223	3.4
175.04013	20.7
177.00504	1.5
177.01949	19.7
178.99857	12.0
181.01401	2.9
188.04828	2.5
189.05484	4.5
199.04034	9.0
201.01910	1.5
213.05499	2.5
217.05017	12.4
230.99678	10.0
241.05099	6.3
242.02089	1.0
243.02768	0.9
256.97656	1.0
257.04498	1.5
259.06088	4.1
275.05582	6.3
285.04083	61.6
286.04440	6.4
303.05139	48.4
303.07822	1.1
304.05405	4.0
383.00778	75.5
384.01117	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0446
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.6
59.01372	0.9
59.48761	0.6
65.00334	0.6
65.11720	0.5
70.11927	0.5
71.28600	0.8
79.95741	8.2
80.96530	1.5
83.01392	1.2
93.03468	1.8
95.05034	4.7
96.96024	2.2
107.05036	0.5
108.02202	2.0
109.02960	17.7
109.03709	0.9
117.03458	1.0
121.02983	2.4
122.03739	2.0
123.04536	61.7
124.01662	10.3
124.04875	2.4
125.02468	10.7
135.04539	3.5
136.01672	2.9
137.02449	4.7
138.03232	0.9
139.04024	35.8
140.04379	0.9
145.02956	5.6
149.02457	3.6
150.03223	3.6
151.00337	0.9
151.04022	32.3
152.01198	1.2
152.04340	1.6
153.01938	1.1
155.07022	0.6
161.02434	2.3
162.03270	0.6
163.00397	2.8
163.04015	9.1
164.01158	11.1
164.04395	1.0
165.01929	2.1
175.03998	2.2
177.01973	2.4
177.09293	0.7
178.02751	3.8
178.99977	1.2
179.03517	39.2
180.03947	1.7
181.05099	1.5
186.78020	0.5
190.54153	0.5
193.05112	3.3
195.06645	1.3
199.04027	1.1
201.05705	0.5
217.04990	1.3
230.99702	18.4
241.05096	1.4
243.06668	1.0
259.06064	0.8
271.06091	9.1
275.05759	0.8
285.03989	5.5
285.06683	0.7
300.99924	1.6
301.03217	0.6
301.06989	0.7
303.05179	6.3
303.08670	30.0
304.09109	1.8
348.18738	0.6
383.00793	5.4
383.04504	100.0
384.00562	0.8
384.04852	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	383.0776
Annotation	Decaketide tricyclic intermediate
Peak:m/z	Relative Intensity
56.85426	1.3
63.03211	1.0
67.82001	1.1
68.99840	1.5
69.54903	1.1
70.59307	1.9
79.85268	1.0
87.26112	1.2
114.00901	1.2
115.04024	1.2
121.02964	100.0
122.03318	3.9
145.02965	2.0
147.04538	2.6
149.02457	2.8
175.20251	1.0
181.06599	3.5
186.08208	1.1
191.03508	10.8
209.11861	1.9
220.08321	1.2
225.05527	7.0
251.07191	3.5
295.06006	9.1
311.09293	14.7
312.09775	1.5
313.07153	18.0
313.10406	1.9
314.07510	1.6
339.08667	16.6
383.07727	22.3
383.24780	1.6
384.08078	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	383.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.0
59.01381	5.4
71.01379	2.3
72.99312	5.3
75.00877	45.8
76.15613	1.0
79.01884	2.0
85.06619	0.9
89.02448	6.7
93.62616	1.0
94.21148	1.0
94.50549	0.9
98.22557	1.5
101.96116	1.0
107.05030	1.0
108.33016	0.9
108.52644	0.9
109.02946	2.5
111.04525	8.6
117.01955	3.1
121.06690	0.9
123.08165	2.7
125.02448	3.4
135.03006	96.3
136.03357	2.0
137.02478	1.4
141.05582	2.7
147.08206	5.0
149.02414	1.3
149.06100	1.3
151.03984	1.3
163.04024	2.0
165.09222	1.6
167.03490	1.5
167.71057	0.9
175.07687	3.3
177.01939	4.3
191.07138	7.6
193.01364	2.1
193.08748	1.4
195.06665	13.2
196.79005	0.9
203.07187	2.3
204.00616	2.1
204.04301	5.6
205.01460	1.4
209.08144	5.3
211.06061	1.8
219.06628	43.3
220.03764	4.2
220.07068	2.4
221.08128	6.3
233.08122	2.6
235.06125	45.0
235.09843	2.8
236.06465	4.8
237.07715	25.3
238.08046	2.3
246.05257	1.1
247.06114	100.0
248.06490	9.8
249.07642	6.9
261.07678	3.8
263.05609	14.3
264.06097	2.0
265.07187	21.0
277.07172	1.4
291.08746	1.8
293.06723	10.0
294.07227	1.2
321.09705	1.7
339.10840	1.3
383.09821	2.5
383.16473	6.6
383.21213	2.6
408.79599	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
58.08260	0.2
59.01373	0.4
69.14544	1.7
71.01384	0.4
89.89499	0.2
136.05318	0.9
148.05302	0.2
161.06062	0.3
162.06883	9.1
163.07251	0.6
164.04788	0.2
175.07614	0.7
176.04823	0.5
176.08365	0.3
177.09218	100.0
178.09554	6.7
178.11038	0.4
183.65135	0.2
203.07210	1.4
221.08228	4.2
221.11755	0.3
223.13336	0.5
307.36127	0.2
327.78082	0.2
383.13504	15.9
384.13849	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.8
68.99477	1.7
68.99883	0.6
81.39227	0.2
89.52553	0.2
112.33853	0.2
133.57359	0.2
141.76764	0.2
148.05330	0.6
162.06876	7.1
164.04822	0.4
174.30396	0.2
176.04813	1.0
177.09221	100.0
178.09560	6.8
194.05850	0.6
203.07196	1.2
221.08250	3.1
223.13380	0.6
263.08694	0.8
309.65942	0.2
329.53442	0.3
383.13474	14.7
384.13708	1.7
395.30576	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67251	0.5
51.69341	0.5
90.12643	0.6
90.13171	0.6
94.07901	0.6
96.34752	0.5
103.95730	0.5
124.68719	0.5
140.62225	0.5
190.85208	0.6
255.06653	2.9
255.09354	0.6
256.07437	5.4
270.09024	1.0
281.04407	0.6
282.05283	1.5
283.06079	3.0
284.06909	7.6
299.09265	5.0
309.03992	1.0
310.04794	2.5
310.08118	0.7
311.05600	3.8
312.06461	3.9
321.11252	1.9
322.12027	1.7
323.12372	0.6
325.07242	9.4
326.07806	1.0
339.12436	2.3
339.16040	0.6
340.13092	1.1
349.10846	4.7
350.11584	3.8
351.11713	0.6
353.10336	2.6
365.14090	5.2
366.14282	0.8
367.12021	1.1
368.12668	1.5
383.15030	100.0
384.15372	11.9
384.20081	0.9
405.46790	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19623	1.6
55.01883	9.9
57.03449	5.9
57.49648	1.4
58.00592	4.0
59.01382	66.7
61.98822	2.3
66.97119	1.6
69.03442	2.0
69.13837	11.9
71.01386	87.5
72.99300	5.5
73.02953	31.2
75.00925	1.6
83.01387	21.6
85.02956	43.5
87.00891	4.4
89.01941	2.9
89.02455	28.1
90.41975	1.7
95.01389	5.8
97.02965	3.4
99.00906	10.8
101.02449	100.0
102.02788	2.4
103.04019	5.5
108.02190	2.1
113.02460	35.0
117.05562	2.1
119.03535	10.4
125.02424	1.7
129.67317	1.7
131.03430	2.4
134.04669	2.1
143.03525	4.3
159.01711	1.7
159.03014	5.5
161.04558	29.5
177.24544	1.6
179.05626	5.3
184.40457	1.7
220.40549	1.8
221.10310	70.4
222.10684	2.9
383.02682	1.7
383.10602	3.5
383.15497	33.0
383.19925	1.7
384.15759	3.3
396.15695	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2078
Annotation	13,14-dihydro-15-oxo-20-carboxy-PGF2alpha
Peak:m/z	Relative Intensity
57.03467	5.7
70.49086	7.5
71.05011	3.5
83.05023	8.5
95.05023	13.8
96.77119	3.3
97.06604	19.6
111.08163	16.5
118.74976	4.3
123.08208	7.8
125.09728	68.4
139.11276	7.4
141.09219	5.2
159.10237	22.8
173.11864	12.0
183.10248	21.6
187.09706	6.6
197.11852	47.4
218.18376	4.0
249.00752	3.8
249.22264	3.7
277.25272	13.3
315.25577	6.5
321.20776	6.7
321.24365	39.2
339.21851	22.1
365.19577	5.1
365.23776	3.9
381.27826	7.9
383.20605	71.8
383.24521	100.0
383.29602	58.7
384.21094	11.5
384.25217	8.8
384.29706	8.4
385.27716	4.0
397.27487	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	383.2076
Annotation	Perseanol
Peak:m/z	Relative Intensity
53.28631	2.2
57.03438	6.1
58.99871	2.2
67.97408	2.6
70.85168	4.7
71.05025	4.1
97.06590	8.8
108.58356	2.5
111.08123	5.8
121.02917	2.4
123.08182	5.9
125.09727	46.3
127.11264	3.2
139.11267	2.4
141.09120	3.8
159.10304	12.0
165.09235	4.4
173.11859	36.5
183.10284	49.1
185.81006	2.6
197.11882	19.8
197.76445	2.2
339.21848	17.5
383.20786	100.0
383.29453	3.7
384.21201	13.3
384.25845	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	383.3532
Annotation	2-Hydroxytetracosanoic acid
Peak:m/z	Relative Intensity
50.88510	2.1
62.10270	1.9
66.12025	1.8
66.26331	1.7
69.00097	2.0
70.85688	3.3
105.92416	1.9
169.19165	2.3
178.81213	2.2
180.92615	1.8
203.02791	2.0
219.74707	2.1
228.15128	2.3
325.18607	2.5
337.34851	2.2
383.35339	100.0
384.35669	11.5
398.11819	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.3534
Annotation	24-hydroxytetracosanoic acid
Peak:m/z	Relative Intensity
61.98844	2.8
65.29445	2.7
83.05028	5.0
98.21807	6.0
99.08195	3.2
115.56156	3.4
205.66800	2.8
216.99898	3.0
222.32460	3.2
310.81625	3.3
319.10956	2.9
359.13422	3.4
383.35318	100.0
384.35809	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	383.3534
Annotation	24-hydroxytetracosanoic acid
Peak:m/z	Relative Intensity
55.26486	0.5
56.14449	0.5
61.28075	0.5
62.93339	0.5
64.19274	0.5
64.70708	0.5
69.91122	1.1
69.91521	1.5
72.74708	0.5
95.55497	0.5
108.98918	0.5
123.12064	0.5
153.12933	0.8
155.14456	1.1
182.41806	0.5
211.20709	1.1
258.78027	0.5
335.92737	0.6
337.34872	1.9
365.34277	2.3
381.33884	0.8
383.35333	100.0
384.35657	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	384.115
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	77.9
71.01389	55.9
71.27060	36.5
78.95897	35.2
87.00894	64.2
89.02463	59.4
114.46884	29.1
126.98897	36.2
179.05600	37.3
191.01981	67.7
209.93655	38.8
210.92340	44.0
228.93402	68.0
247.85457	54.9
341.10818	100.0
365.77921	38.4
379.23050	33.4
395.29935	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	384.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
58.56923	10.8
59.01392	67.1
69.08875	100.0
71.01385	42.9
74.96862	12.9
89.02451	49.9
101.02483	17.3
109.06660	11.3
113.02485	13.3
201.22119	13.3
223.09708	32.6
228.00511	13.0
231.95993	11.1
324.00806	12.1
384.21121	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.2758
Annotation	Mycestericin D
Peak:m/z	Relative Intensity
57.93104	0.9
59.01393	1.3
63.65729	0.9
68.01063	1.0
69.34560	6.8
74.02468	1.7
82.03010	1.5
84.04547	4.2
100.04076	1.7
100.07734	1.4
102.05615	65.5
126.27995	1.0
128.03552	79.6
129.03915	1.8
146.04614	8.7
149.55963	1.2
235.32619	0.9
254.24954	2.9
255.23309	55.7
256.23666	4.1
280.26636	1.1
294.27930	2.0
296.29630	10.0
314.07941	2.4
322.27563	2.3
340.28586	15.4
341.28964	1.8
366.26556	12.2
367.26996	2.4
384.27585	100.0
385.12909	7.8
385.27875	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	384.987
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25213	0.4
58.70985	0.4
59.01377	3.4
61.98822	1.3
71.01382	2.4
71.28084	0.7
72.99307	0.8
78.91914	2.5
85.02958	1.5
87.00875	1.4
89.02454	0.9
95.01391	0.8
99.00894	0.6
99.04537	0.5
99.92588	14.9
100.92623	1.0
101.00863	0.5
101.02477	0.7
108.02183	2.6
109.02977	0.9
111.00908	0.7
113.02422	0.8
115.92099	2.0
116.92869	100.0
117.92888	5.4
119.05124	0.5
119.06326	0.6
120.99703	0.5
121.02953	0.6
123.00888	8.4
123.04506	0.5
125.02471	1.2
127.04103	0.4
131.51634	0.5
134.03796	0.7
135.04546	1.2
137.02423	0.6
149.02409	1.8
151.04016	0.8
152.01147	2.6
153.01945	1.0
161.02435	0.6
164.04808	1.2
165.01884	0.5
173.04712	0.7
174.01714	1.6
179.03476	1.2
179.07159	0.8
181.05099	0.6
190.51776	0.5
191.03761	0.5
191.05623	1.3
198.62241	0.6
205.05040	1.2
207.90804	0.6
207.94698	14.6
208.94800	1.3
209.08060	0.5
223.02515	0.6
223.06268	2.3
227.09302	1.5
234.93333	2.3
236.94691	0.5
251.93729	1.4
285.06226	1.3
300.05618	0.5
340.99820	1.8
342.06320	1.1
384.21124	0.9
384.98703	43.5
385.11560	4.3
385.98944	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	385.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49239	0.5
59.01380	1.0
65.13034	0.5
79.95744	42.2
85.02941	0.7
101.04004	1.9
117.03492	1.8
177.13025	0.6
198.68932	0.6
201.00755	0.5
247.07648	60.5
248.07994	5.9
259.23914	0.6
275.07150	100.0
276.07489	10.0
290.09506	44.8
291.09848	4.1
305.11856	25.4
306.12146	2.5
315.85236	0.5
370.05209	2.5
385.07535	56.6
385.23605	1.1
386.07858	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	385.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06477	1.2
54.38827	1.2
55.34401	1.2
69.03455	1.3
69.52430	7.2
79.01904	1.9
95.01406	3.6
97.02969	2.5
107.01399	21.1
111.00907	5.6
123.00910	12.5
124.01675	2.9
125.02462	58.9
125.09739	1.6
126.02808	3.6
127.00385	1.6
136.98781	3.9
139.00404	7.1
140.01207	8.8
151.00389	2.7
166.08354	1.3
166.99896	2.7
168.00618	8.0
169.01448	82.2
170.01797	4.1
170.38277	1.2
181.01414	1.9
199.92352	1.3
211.02530	4.4
241.03455	1.8
308.59442	2.6
309.09821	100.0
309.59985	33.4
310.10190	4.4
370.51828	1.2
385.10239	12.4
385.22318	2.0
385.60544	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	385.1146
Annotation	Axitinib
Peak:m/z	Relative Intensity
58.60124	1.3
59.01387	6.7
59.35091	1.3
64.72734	1.7
69.02522	12.7
70.42082	1.3
71.01385	4.2
72.99300	3.8
73.02953	3.5
75.00864	4.2
78.95908	8.6
83.01390	4.8
85.02946	8.3
87.00889	7.2
89.02444	1.8
96.96024	17.3
96.96970	11.7
98.22479	2.8
99.00898	3.1
101.02454	3.5
109.02961	3.8
111.00981	1.9
113.99572	2.7
115.00400	10.4
121.03009	2.7
123.04532	3.7
125.02409	5.4
136.07793	1.4
137.02408	3.5
161.02464	1.5
163.04044	3.1
164.01109	1.5
165.05557	1.4
169.01468	1.5
174.01703	80.6
175.02490	8.5
177.01952	2.6
179.03476	2.6
190.02618	1.6
193.05106	1.9
193.08635	3.0
194.05875	2.7
205.05009	1.6
209.08192	4.3
220.07455	1.4
223.06120	4.0
223.09625	1.7
223.19518	1.4
237.07622	1.9
239.09315	3.0
251.09315	2.5
265.07114	1.5
267.08679	5.0
274.10028	1.6
275.02002	2.9
279.08746	1.9
295.08261	8.3
300.99872	2.9
305.15964	2.7
323.11145	1.7
325.09229	14.1
326.09918	1.4
341.12549	2.7
385.11429	100.0
386.11923	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.1
57.03442	3.9
57.96352	0.8
58.41187	0.7
59.01099	1.6
59.01379	26.3
65.05499	0.8
66.89265	0.7
67.01882	2.1
68.99805	2.3
69.03441	2.1
71.01387	25.0
71.28842	0.7
71.29298	1.3
72.99316	5.8
73.02961	5.1
75.00876	18.9
81.03453	1.0
83.01382	1.3
83.94450	0.8
85.02956	22.7
87.00878	7.8
87.94534	0.7
89.02455	10.8
91.05527	8.8
93.03467	1.6
95.01395	6.3
99.00888	10.2
101.02440	6.0
103.00408	1.8
108.02175	1.3
109.02937	1.7
111.00874	2.2
113.02462	28.2
114.64117	0.8
115.00354	2.2
117.01936	4.0
119.03521	1.4
123.04507	0.8
125.02412	1.6
129.01945	2.2
135.04535	100.0
136.04848	4.0
137.02437	1.8
147.86635	0.9
157.01402	1.0
161.04530	2.6
165.32889	0.8
175.02484	3.2
179.10796	3.7
205.12337	1.4
223.09674	1.9
223.13310	3.7
231.05110	7.5
249.06165	58.5
250.06425	4.4
361.38354	0.8
367.10519	1.8
385.11349	45.1
385.15125	2.3
386.11786	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86080	1.2
57.03432	3.7
59.01385	21.5
61.11371	1.1
67.68942	1.4
68.99810	2.6
69.00713	7.1
69.01138	3.9
71.01386	25.7
72.99306	4.9
75.00875	16.7
82.33292	1.3
85.02956	27.8
85.52633	1.2
87.00869	9.1
89.02453	7.8
91.05534	23.0
95.01373	6.4
99.00888	9.4
101.02414	2.1
103.00353	2.5
105.78854	1.2
112.01667	1.5
113.02451	35.7
114.02785	1.3
115.00353	2.2
117.01913	3.1
117.03476	4.9
129.01955	1.4
134.17447	1.4
135.04553	11.1
175.02510	2.4
205.08762	1.5
207.05193	1.2
231.05043	2.2
249.06151	45.9
250.06512	2.3
267.07214	100.0
268.07501	5.5
331.63004	1.2
338.65097	1.4
385.11380	31.3
386.12003	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	385.1293
Annotation	3,5,7,4'-Tetrahydroxy-3'-methoxy-8-prenylflavanone
Peak:m/z	Relative Intensity
53.00592	0.7
59.01362	1.2
68.59340	0.7
71.01416	0.9
71.28232	0.7
85.02927	1.2
89.18587	0.7
93.16998	0.6
108.02194	8.2
109.02962	2.5
111.00894	0.8
111.04528	5.5
113.02494	0.6
115.04016	5.6
120.06403	0.6
121.02975	0.7
123.00887	0.8
124.01678	0.7
125.09704	1.2
135.24918	0.6
149.06065	1.4
164.04689	0.6
165.05579	0.9
175.03944	0.7
177.01938	1.3
189.01930	0.6
190.02705	1.4
190.06302	1.6
191.03482	2.0
191.07147	4.6
205.05095	1.1
205.08690	1.7
207.06638	2.2
209.08188	1.4
217.01364	1.4
217.04982	0.8
217.08644	0.7
218.02075	1.1
219.02974	2.2
219.06604	13.6
220.07181	0.8
225.05859	0.7
231.06682	0.7
233.08223	4.8
234.08797	0.7
243.06575	1.8
246.05211	0.7
248.06898	0.8
252.06381	1.3
261.07690	57.4
262.08005	5.2
271.18756	0.9
285.04022	1.0
285.20737	0.9
287.22238	2.8
299.05637	0.7
311.22159	0.8
325.10760	0.9
327.08673	5.9
328.09454	5.2
341.10446	1.4
342.11163	1.3
343.11890	7.6
344.12128	1.3
351.08862	0.9
352.09091	0.9
357.13315	0.9
369.09875	2.9
370.10464	4.3
370.14459	1.2
385.12866	100.0
385.26321	1.9
386.13184	13.1
386.17734	0.7
387.87784	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1295
Annotation	(-)-5-Methoxybalanophonin
Peak:m/z	Relative Intensity
55.27858	0.9
59.01383	1.9
63.01545	1.1
69.25394	6.8
70.88753	1.1
83.49106	1.1
95.21607	1.3
101.02271	1.0
125.09712	1.3
129.37956	1.0
211.04004	2.8
223.06290	1.2
225.05504	1.4
240.07874	6.0
255.10297	3.2
256.07458	11.0
267.05862	1.2
271.09677	10.2
282.05698	1.2
283.09772	3.0
284.06900	23.7
285.07068	1.6
288.06436	1.4
299.09262	48.3
299.91565	1.2
300.09741	5.5
310.04605	1.2
312.06674	1.9
327.08792	24.5
328.08832	2.5
355.08237	100.0
356.08530	11.1
369.09851	3.3
370.10577	51.8
371.10828	5.2
385.12933	93.1
386.13214	11.3
391.20135	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.3
59.01369	0.4
60.43914	0.2
69.03429	1.9
69.03836	0.4
71.05025	2.2
72.19847	0.2
73.02929	0.3
77.03970	0.5
79.01884	1.4
83.05000	0.2
88.60403	0.2
93.03428	0.3
95.05034	4.4
97.02954	2.7
99.08163	0.4
101.06096	0.6
108.02168	0.5
109.02991	0.3
116.10484	0.2
121.02946	1.4
122.03732	0.5
123.04527	0.2
123.08164	0.9
125.06074	2.5
135.04549	0.3
136.05302	0.4
137.02473	0.3
137.09705	2.6
139.04018	16.2
140.04395	0.6
163.03999	1.1
164.08426	0.2
165.01923	2.5
166.02640	0.4
169.10568	0.2
177.09294	0.6
179.10785	18.5
180.11063	1.0
181.08681	0.3
187.03851	0.2
190.06427	0.3
205.04889	0.2
205.08632	1.4
219.10236	0.3
223.09758	100.0
224.10098	6.3
244.91693	0.2
247.09842	0.6
265.10770	1.2
385.14951	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1506
Annotation	Icariside H1
Peak:m/z	Relative Intensity
50.02574	0.3
57.03448	0.4
59.01373	1.3
69.03612	2.9
71.01372	1.1
71.05014	1.2
73.02958	0.6
77.51342	0.4
78.31680	0.3
79.01887	1.1
83.01414	0.4
83.05037	0.4
95.05035	6.3
97.02946	1.2
97.06594	0.4
99.08154	0.6
101.06090	1.0
107.05022	0.4
109.02952	0.8
121.02979	0.8
123.04606	0.5
123.08167	1.8
125.06097	4.1
125.09725	1.6
135.04558	0.8
137.02461	1.2
137.06149	0.4
137.09715	2.3
139.04007	7.4
140.04335	0.4
150.03278	0.8
150.06877	0.5
153.05598	0.5
161.09700	0.5
163.04024	1.1
165.01956	2.5
166.02707	1.0
179.10797	30.3
180.11108	2.3
187.09663	1.2
189.01907	0.6
192.98128	0.4
193.08720	0.7
204.04179	0.4
205.08710	1.9
207.10280	1.0
219.10252	1.5
221.08221	0.8
222.08876	0.6
223.09773	100.0
224.10123	6.1
229.08766	0.6
237.11339	1.7
247.09763	21.2
248.10168	2.1
265.10794	9.8
266.11133	1.1
268.07352	0.6
277.10898	1.6
283.09592	0.4
289.10797	0.6
341.19727	0.7
385.09030	0.8
385.15070	5.9
385.22818	0.7
386.15515	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62814	2.5
57.03429	2.5
57.94934	2.1
59.01385	29.3
67.49452	2.5
71.01388	22.7
72.47122	2.8
72.99297	3.6
73.02945	5.2
83.01395	4.0
83.36247	2.2
85.02957	9.5
89.02444	10.8
97.02969	3.4
101.02439	13.8
111.04560	4.3
113.02449	7.4
119.03543	4.1
124.06243	2.7
125.02464	5.6
133.10251	2.8
135.08174	5.1
135.11839	13.3
137.02512	2.4
159.11818	19.0
161.09740	14.4
163.11284	4.3
177.12820	9.7
179.10779	100.0
180.11147	6.0
187.61584	2.5
193.12350	4.3
205.12248	5.0
211.07648	5.6
221.11874	18.1
223.09758	67.5
223.13168	3.9
224.10191	4.4
228.78746	2.4
235.07631	7.6
236.08553	3.2
239.07126	6.9
253.08696	9.0
263.07208	4.7
265.08517	6.6
265.10831	7.2
266.05936	4.3
267.06616	13.2
281.08234	16.8
282.09055	13.5
311.05545	2.8
325.07193	9.3
325.12988	16.2
326.07809	6.2
341.10315	11.5
370.06992	2.8
385.09335	67.2
386.09573	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	385.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86677	0.4
59.01371	0.6
70.55222	0.4
71.01360	0.3
71.05016	1.3
72.63552	0.3
73.02952	0.4
77.03952	0.3
79.01891	1.6
86.05507	0.4
95.05046	3.6
97.02957	2.6
97.88342	0.4
98.22616	0.7
99.08168	1.2
101.06078	1.0
121.02960	0.9
122.03740	0.5
123.08149	1.2
125.06094	3.4
137.02454	0.5
137.09746	3.0
139.04030	10.3
140.04411	0.4
151.07649	0.4
161.09750	1.2
163.04005	0.7
164.08472	0.5
165.01872	1.9
166.02728	1.1
177.09227	1.1
179.10791	19.2
180.11153	0.6
180.91873	0.4
205.08772	2.2
205.10374	0.4
214.40189	0.3
219.10378	0.4
220.38199	0.3
220.69615	0.3
223.09776	100.0
224.10107	6.3
247.09761	0.7
265.07724	0.3
265.10748	1.6
268.81351	0.3
385.14783	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44173	0.4
55.01888	1.2
59.01093	0.5
59.01382	7.9
68.95586	0.4
69.46804	1.0
69.47198	0.9
71.01383	3.0
71.05024	8.3
73.02953	0.6
77.03971	0.6
79.01903	2.4
83.01372	0.9
85.02995	1.3
89.02457	1.9
91.12615	0.4
93.03462	0.7
95.05038	4.7
97.02961	9.4
98.03329	0.6
99.08174	1.0
101.02464	1.2
101.06087	10.9
109.02976	0.4
111.04515	0.4
113.02441	1.0
119.03579	0.7
121.02935	0.5
123.08174	1.3
125.02488	0.6
125.06091	4.2
135.04504	1.0
137.02464	0.7
137.09724	2.5
138.03255	0.7
139.04024	100.0
140.04369	3.2
149.06104	0.8
150.06830	0.4
151.03973	0.6
151.07635	0.7
153.05632	1.0
155.10875	0.7
161.04692	0.5
161.09738	0.9
163.04008	8.0
163.11324	0.9
165.01950	2.1
166.02713	1.0
177.09105	0.5
179.05630	0.4
179.10786	19.1
180.11069	0.9
181.05154	1.2
181.12354	1.7
185.06302	0.4
193.05077	1.5
200.82571	0.5
205.05031	2.6
205.08727	1.4
205.12381	0.7
207.86742	0.4
219.10519	0.5
223.09769	96.9
224.10115	6.4
260.71393	0.5
265.07297	0.8
265.10553	0.6
283.08255	5.3
284.08600	0.5
385.15057	6.2
386.15378	0.8
408.16455	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95198	0.4
55.01890	1.2
58.92158	0.4
59.01381	3.7
61.98817	0.4
69.03474	0.6
69.06318	0.5
71.01392	3.2
71.05028	8.2
71.29770	0.4
73.02937	0.8
79.01869	0.8
83.01417	0.7
83.05031	1.0
83.27128	0.5
84.55209	0.4
85.02966	1.4
89.02461	0.6
95.05032	2.9
96.95998	2.0
97.02955	8.7
98.71958	0.4
98.95615	4.2
98.96439	0.9
101.02450	2.1
101.06094	3.9
109.02961	1.1
111.04488	0.6
113.02462	0.8
121.02999	0.8
123.00941	0.7
123.04526	0.7
123.08131	0.8
125.02455	1.5
125.06106	1.9
135.04524	0.8
135.08171	0.7
135.11801	3.1
136.05345	0.7
137.02440	0.5
137.06091	0.5
137.09753	1.3
138.03253	1.0
139.04024	100.0
140.04353	4.0
147.11858	0.5
149.06062	0.8
151.04047	0.9
153.05609	1.2
159.11784	3.2
161.05983	0.5
161.09737	3.0
163.04008	7.8
163.11336	1.0
165.01936	0.9
166.02679	0.5
177.09184	0.5
177.12852	1.0
179.10783	28.8
180.11082	1.7
181.05095	1.0
193.05063	1.0
193.12265	0.5
205.05093	1.7
205.08693	0.5
217.04892	0.5
221.11790	3.5
222.12318	0.6
223.09767	69.2
224.10149	4.6
250.93683	0.4
265.07181	0.5
265.10748	1.6
283.08255	3.8
325.12756	2.8
385.14069	2.1
385.17661	1.9
385.22153	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80619	0.3
55.01886	1.7
59.01382	1.1
69.06480	3.4
71.01400	0.8
73.02953	0.6
84.08229	0.4
85.06593	8.6
87.04520	13.5
88.04836	0.4
97.02938	3.0
98.45406	0.4
99.08136	0.3
101.02450	0.4
109.06609	2.4
111.04531	14.0
113.02433	0.4
123.08168	3.9
125.02415	0.5
134.65210	0.4
135.04524	1.5
138.03250	0.6
143.09479	0.4
149.06119	0.6
151.04025	0.5
152.04778	1.9
153.05585	100.0
154.05936	4.3
161.09732	0.7
163.07637	0.6
167.07124	1.0
174.78207	0.3
177.05566	6.3
177.09166	1.1
178.06046	0.4
179.03510	0.8
179.07289	0.4
179.10793	9.7
180.04298	1.2
180.11147	0.7
192.04248	0.7
195.06610	1.4
205.08737	0.7
207.06645	1.8
219.06584	2.5
221.07928	0.4
223.09763	80.3
224.10097	6.0
231.06621	0.5
237.07722	1.1
279.08493	0.5
283.09616	0.4
297.09827	9.0
298.10150	0.7
385.15140	6.3
386.15405	0.7
402.45206	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45904	0.4
56.99947	0.4
59.01379	0.8
61.98812	0.6
70.88732	0.4
71.26737	0.7
72.99281	0.5
78.95905	0.8
83.06123	0.6
85.02964	0.6
87.00907	0.6
111.00903	0.8
114.05607	1.3
125.02493	0.7
130.08759	3.3
131.08275	100.0
132.08679	2.5
156.07825	5.2
170.97984	0.8
171.02795	0.5
172.01004	0.7
172.97528	0.5
173.10446	62.3
174.10826	1.1
183.01468	0.7
187.50569	0.5
194.03362	0.7
196.05804	1.6
198.05527	0.6
210.93321	1.0
211.07840	0.6
212.03635	1.1
222.70323	0.5
228.93086	0.5
229.73515	0.5
231.08376	0.5
238.06805	2.3
243.08463	0.6
255.09373	0.8
309.14233	4.9
326.11255	0.7
326.16830	3.7
368.13678	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68663	7.7
59.01395	13.5
71.29239	10.9
75.00895	10.2
85.02946	12.6
89.59869	6.9
90.50774	7.5
93.58758	7.2
97.06582	11.9
109.29918	6.2
111.01537	7.5
137.09721	7.6
164.03635	7.0
165.12733	7.4
171.10284	15.8
179.78593	6.6
183.13930	10.7
185.11797	7.2
189.68127	6.9
211.13463	34.1
219.07080	7.5
221.07271	7.5
221.11749	11.3
229.14420	20.3
233.11600	31.9
251.12579	9.7
261.10889	12.0
327.21747	100.0
328.22266	11.3
349.19855	38.5
370.10596	9.5
385.17697	65.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1872
Annotation	(6R,9R)-Roseoside
Peak:m/z	Relative Intensity
55.01880	2.3
56.63311	0.4
57.03452	3.3
58.00591	1.8
59.01385	63.2
60.01707	0.8
64.60542	0.5
69.03462	0.7
69.24931	2.3
69.25346	1.1
71.01387	65.0
72.00033	0.5
72.01727	1.5
72.99310	3.2
73.02952	13.5
75.00872	0.8
83.01398	4.2
83.05049	1.1
84.02150	0.7
85.02956	21.0
87.00890	2.1
89.02454	35.2
93.03462	0.5
95.01395	6.1
95.05047	2.0
97.02960	5.2
99.00880	4.2
101.02451	33.0
105.07121	1.4
107.05043	0.8
108.05842	2.5
109.02935	1.0
109.06620	1.4
111.04517	0.8
113.02463	26.8
113.06104	2.4
114.02785	0.9
119.03508	11.4
122.03747	2.6
123.08188	3.9
125.02446	1.3
125.06046	2.9
131.03508	1.2
135.08182	1.2
135.86758	0.5
136.05312	3.8
137.06097	1.9
138.06880	25.1
139.07681	8.2
140.08006	0.7
143.03539	3.1
147.08209	0.5
149.04590	0.6
149.06114	1.3
151.07661	23.7
152.04848	2.1
152.08444	43.7
153.09230	100.0
154.09595	5.4
159.02962	2.9
161.04567	16.0
161.09740	1.1
163.11299	4.3
165.09230	1.9
167.07159	1.3
167.53625	0.6
179.05693	2.5
187.11194	1.0
189.09201	0.7
190.09964	2.7
205.12343	30.6
206.12692	1.9
216.51503	0.5
223.13406	12.6
224.13654	0.8
229.12477	0.6
340.25369	0.6
370.40253	0.5
385.18753	6.8
386.18802	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1871
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01875	1.1
55.70696	0.9
57.03455	1.6
58.00607	4.9
59.01384	100.0
59.98531	1.6
60.01722	1.5
69.05244	2.4
69.05669	2.8
71.01386	70.6
72.01717	1.1
72.99316	5.8
73.02966	1.2
81.07115	1.0
83.01402	2.2
83.05013	0.6
84.02193	0.6
85.02955	12.7
87.00903	3.2
89.02453	88.9
90.02772	0.8
93.70456	0.6
95.01398	4.8
97.02953	0.8
99.04534	9.1
101.02451	37.8
102.02773	0.6
108.02229	0.7
109.02969	2.1
113.02458	26.5
119.03512	33.9
121.02919	1.5
123.04558	1.9
125.02443	3.1
130.72963	0.6
131.03482	2.6
135.11812	0.7
137.02417	1.9
143.03513	4.8
149.04524	2.4
151.00348	1.2
151.03955	1.2
161.02457	0.7
161.04520	2.9
161.13370	9.9
179.05637	6.6
189.01913	1.2
189.62720	0.7
205.12357	47.1
206.12630	2.9
243.06549	1.4
285.03827	0.7
303.04953	1.1
336.65778	0.7
385.00836	0.8
385.18552	1.1
386.08694	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78732	2.8
54.03261	2.6
56.01066	2.7
57.03439	4.6
59.01374	10.5
60.49413	2.6
69.19197	16.4
83.05025	11.1
91.85895	2.6
97.02959	4.5
97.06612	5.7
111.08172	39.5
113.09609	2.7
123.08153	3.4
125.09727	22.9
127.11344	3.3
149.09860	6.4
151.07614	3.1
152.20409	2.8
153.79042	2.7
159.10298	19.4
161.07678	2.8
167.10768	4.6
173.08203	4.3
173.11819	30.1
178.54414	2.7
181.12376	14.0
185.11852	23.4
187.09753	3.6
193.08728	7.8
201.11456	3.6
207.10294	16.8
211.09763	8.5
211.13362	5.4
215.12810	4.6
225.11261	19.6
237.13373	3.0
317.86633	3.0
323.22281	7.5
349.20004	5.9
367.21249	100.0
368.21524	7.7
385.22336	85.8
386.03711	2.9
386.22733	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	385.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	1.3
59.01388	1.1
59.88304	0.6
65.72414	0.6
65.99662	0.5
69.94488	1.4
83.05069	0.6
85.02982	1.5
91.04027	0.8
141.12875	0.7
249.22234	75.1
250.22539	7.8
267.23227	2.2
267.58289	0.7
293.21237	55.7
293.80252	0.7
294.21548	5.1
311.22293	100.0
312.22595	10.3
385.25949	33.4
386.26477	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	385.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90131	1.2
57.03440	2.0
59.01379	3.3
60.70764	1.2
69.18618	7.1
75.42978	1.4
89.82206	1.2
91.03978	1.5
229.14388	1.7
249.22238	72.9
250.22499	7.8
267.23300	1.8
293.21255	53.3
294.21509	5.2
311.22299	100.0
312.22546	10.6
339.23294	6.9
340.23401	1.7
385.26111	31.6
386.26251	5.6
406.69043	1.5
409.08047	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
87.18101	3.0
93.40760	2.8
99.53727	2.8
111.77988	2.5
155.03146	2.8
186.60062	2.7
207.10283	61.6
212.85001	2.9
235.13350	13.6
385.27533	100.0
385.32892	3.3
386.27899	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	385.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
70.77618	0.7
74.11317	0.4
75.52977	0.3
78.59830	0.3
79.18839	0.3
106.11217	0.3
131.64307	0.3
147.74258	0.3
166.06380	0.6
175.17706	0.3
179.07138	0.5
191.14400	1.2
199.09778	0.3
206.09477	1.7
207.10242	2.1
220.11050	0.8
221.11836	29.9
221.43787	0.3
222.12218	1.9
235.13397	28.7
236.13676	2.0
249.14934	1.1
282.14749	1.0
313.18073	1.2
328.20474	0.3
337.98627	0.3
385.27481	100.0
386.27826	16.2
386.33002	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.3323
Annotation	CHEBI:79299
Peak:m/z	Relative Intensity
51.44644	6.7
55.96532	6.5
71.27808	7.2
72.99313	35.2
75.00857	15.5
87.52765	6.9
129.14175	6.8
153.21684	6.7
267.92221	7.0
277.06113	6.9
385.13016	7.8
385.33218	100.0
386.33270	10.8
396.66602	6.8
404.56384	7.3
406.97336	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	386.1613
Annotation	Merenderine N-oxide
Peak:m/z	Relative Intensity
54.50454	1.0
57.47625	0.9
59.06889	1.0
60.80283	1.2
73.02941	1.2
74.09125	1.0
97.03014	1.2
109.03023	1.3
109.06586	1.5
111.04559	2.9
111.24371	0.9
112.00423	22.2
114.40376	1.1
115.63221	1.0
122.78667	1.1
123.04528	7.7
125.02447	4.3
125.09698	1.5
127.24198	1.1
135.04520	6.5
139.19305	1.1
147.11826	1.1
215.10881	1.1
215.14474	1.7
244.08069	1.1
271.17032	9.1
272.17404	1.1
273.15042	1.4
284.20514	1.1
315.12747	0.8
315.16016	21.5
316.16437	2.9
343.24741	6.5
369.22809	1.4
386.16147	100.0
387.16400	11.6
387.24033	6.0
399.62622	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.0691
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	8.6
59.01376	2.6
63.05291	2.7
71.01357	2.4
71.28329	3.9
78.91878	2.8
78.95908	26.1
80.91691	97.8
81.03474	3.6
83.01385	11.4
93.03479	7.1
95.01387	3.2
95.05012	3.9
96.96024	2.6
96.96967	47.3
97.02967	5.2
99.92603	4.3
109.02952	19.0
111.00887	3.3
111.04525	4.4
120.95438	2.3
121.02900	6.4
123.00875	7.5
123.04570	5.5
123.43988	2.3
124.01680	5.0
125.01530	5.4
125.02456	100.0
126.02788	2.9
130.80544	2.2
137.02455	58.7
139.04047	18.3
142.51404	2.4
151.03984	3.6
159.04588	2.7
161.02412	5.3
163.00372	3.1
163.02521	3.3
164.01141	7.6
165.00449	6.5
165.01932	16.3
167.03516	23.1
169.01466	3.0
175.03941	4.7
177.01939	6.2
177.05661	3.3
179.02068	4.1
179.03462	14.4
181.05086	4.4
187.81252	2.6
191.01910	2.7
191.07275	2.7
203.03546	6.4
206.99763	3.2
207.01523	14.8
219.06587	11.4
221.02850	5.9
221.04715	5.5
248.94952	2.6
249.00484	4.7
249.02618	9.5
255.05122	3.9
261.02496	2.7
261.07639	3.3
278.33731	2.3
289.07040	5.4
305.06683	84.0
306.07083	8.2
327.04913	14.4
343.05609	5.0
345.04739	6.6
359.00940	7.1
387.05112	22.5
388.06046	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	387.0694
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87010	3.0
57.03443	13.7
59.01380	6.6
61.88934	3.1
69.39704	18.3
71.01393	3.3
78.91895	3.1
80.91684	76.2
81.03432	3.6
83.01391	12.0
93.03473	5.9
95.05072	4.0
96.96972	4.5
97.17599	3.2
98.22536	4.3
99.92596	3.9
109.02971	16.3
116.92897	7.4
117.92855	3.4
118.92651	8.4
121.02975	5.3
122.57782	3.2
123.00880	6.3
123.04503	4.3
124.01653	6.6
125.02458	100.0
137.02455	47.1
139.04027	20.4
149.00999	3.6
153.01952	4.5
161.02448	6.9
163.00368	3.6
163.02544	5.2
164.01180	6.4
165.00430	10.1
165.01938	21.6
167.03488	24.9
175.03954	4.3
177.01852	3.6
177.05646	5.5
179.02103	6.2
179.03545	15.3
181.05093	4.9
186.41731	3.2
207.01501	18.2
219.06654	13.3
221.02939	4.1
225.03973	5.4
249.02602	20.5
261.02405	4.1
267.12747	3.7
301.05618	6.1
305.06677	86.5
306.07178	6.0
327.04865	19.9
341.10858	4.0
343.06705	9.2
345.04807	16.3
386.99008	5.7
387.05508	25.4
387.98907	4.2
388.06024	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	387.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.4
61.65934	0.3
62.64520	0.3
62.79006	0.3
65.03959	0.6
68.99813	0.3
69.23749	0.7
69.24150	1.2
71.01382	2.2
72.99303	0.4
73.87694	0.3
75.00898	1.9
84.86499	0.3
85.02977	1.7
87.00872	0.7
89.02411	0.4
93.03464	43.7
94.03793	1.5
99.00880	1.1
101.02559	0.3
113.02484	2.1
115.93557	0.3
117.01949	0.7
137.02454	100.0
138.02800	3.3
159.51256	0.3
200.40154	0.3
231.04948	0.4
249.06161	20.4
250.06615	0.9
265.35696	0.4
267.07175	0.4
269.07608	0.4
387.09232	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	387.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08300	2.0
57.51561	1.9
59.01391	6.1
71.01391	5.0
83.06165	7.6
84.91844	1.9
85.02936	2.1
87.00879	46.5
89.02501	4.9
96.96001	3.4
98.22602	5.2
101.02455	2.7
111.00910	7.1
123.00905	13.8
125.00966	16.2
125.02449	4.0
126.98880	23.5
127.98981	3.0
130.08755	4.4
131.08244	10.2
138.03230	21.2
141.05257	2.3
141.97638	2.9
149.15610	2.6
150.05206	10.1
153.05594	17.3
168.99948	60.5
170.00183	3.0
170.03079	2.4
173.10489	3.4
178.04735	5.0
183.01553	2.4
194.07899	24.2
195.07822	2.7
196.05794	73.8
197.05983	5.7
207.01611	4.0
222.07411	3.2
228.98296	2.3
236.04269	2.1
236.08907	5.4
239.06966	2.3
241.06810	26.6
242.06931	3.3
249.02374	4.2
253.11615	9.1
253.79988	2.0
256.09564	2.4
263.98083	2.1
265.08148	2.5
266.06302	52.5
267.06619	3.8
283.08997	100.0
284.09195	10.9
301.10095	4.8
307.09335	2.3
310.14389	5.5
311.13907	2.3
320.38443	2.3
327.03610	4.8
327.16940	4.8
343.11398	2.6
369.08957	5.5
387.05417	3.9
387.09811	4.6
388.10135	2.5
398.87082	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	387.1299
Annotation	N5-Dinitrophenyl-L-ornithine methyl ester
Peak:m/z	Relative Intensity
55.01872	1.5
55.97015	0.4
57.03451	2.2
58.00595	0.4
58.88442	0.5
59.01386	13.6
59.06471	0.4
67.01877	1.4
69.03442	0.8
69.15881	3.0
71.01386	15.3
72.99293	1.8
72.99665	0.3
73.02941	5.3
76.91383	0.4
79.01884	1.2
83.01385	3.0
85.02960	7.3
85.28329	0.5
87.00877	2.1
88.15526	0.4
89.02445	4.2
93.03491	0.8
95.01402	3.4
97.02940	1.3
99.00916	2.0
101.02445	13.2
107.01392	3.6
109.02974	0.5
111.00898	2.3
113.02461	6.4
119.03504	1.6
120.99706	0.6
123.00896	15.7
124.01681	1.8
125.02460	13.8
126.02753	0.9
127.00349	0.9
136.98820	2.1
137.02452	0.8
139.00380	6.2
139.11218	0.4
139.86487	0.5
140.01181	4.9
141.01944	1.7
143.03462	1.1
151.00383	12.8
152.00635	0.5
153.09261	0.5
159.03044	1.1
161.04576	6.3
163.04047	0.5
168.00606	4.1
169.01439	17.2
170.01738	0.8
225.15012	5.0
286.14157	0.4
313.05817	0.9
346.76901	0.4
387.12967	100.0
387.19940	3.1
388.13358	9.1
388.20685	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1299
Annotation	N5-Dinitrophenyl-L-ornithine methyl ester
Peak:m/z	Relative Intensity
55.01866	1.3
57.03435	1.4
58.00584	0.9
59.01383	13.9
67.01879	0.6
68.99800	0.8
69.03431	0.6
71.01387	12.4
72.99294	1.5
73.02960	3.5
79.01881	1.0
81.03454	0.5
81.30820	0.4
83.01398	3.5
85.02958	6.7
86.00112	0.8
87.00906	0.7
89.02455	4.9
93.03467	3.9
95.01383	3.5
97.02930	0.8
98.22527	1.2
99.00858	2.2
101.02452	10.7
107.01386	2.8
107.66717	0.5
109.02956	1.2
111.00898	2.8
113.02448	5.7
113.97572	0.4
119.03482	1.4
121.83073	0.5
123.00020	0.9
123.00893	16.2
124.01665	2.0
125.02459	14.2
127.00359	1.1
136.98808	2.1
137.02457	18.2
137.03506	0.9
138.02879	0.9
139.00381	6.8
140.01183	4.4
141.01935	1.8
143.03401	0.7
151.00372	12.0
151.04018	1.5
152.04745	0.5
153.01909	1.5
161.04532	2.0
165.05522	1.7
167.03511	0.4
168.00639	4.9
169.00002	0.9
169.01430	17.3
170.01826	0.6
179.03481	0.6
179.05684	0.6
181.05019	0.5
183.10176	0.6
195.06606	2.2
210.08977	31.0
211.09332	2.1
225.11330	39.5
225.14955	1.8
226.11668	2.9
249.06119	2.2
313.05530	1.0
387.12848	100.0
387.16541	6.3
387.20703	3.5
388.13187	9.6
388.17227	0.9
388.20898	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.13
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.5
58.00591	1.2
59.01384	86.3
69.60490	4.6
71.01385	30.2
72.99313	2.0
73.02965	1.4
78.65174	1.0
83.01387	1.5
85.02956	6.9
87.00851	1.8
89.02454	30.1
89.02969	2.2
93.03469	2.9
95.01390	2.2
95.05074	2.1
101.02457	23.0
113.02469	11.7
119.03510	12.8
121.02936	1.9
123.00955	1.3
125.02458	1.5
131.03534	1.1
137.02457	6.0
144.93320	1.2
149.02478	3.7
149.04514	1.7
163.11301	26.3
163.53395	1.2
165.05595	1.2
177.01942	34.0
178.02484	1.9
191.03557	1.8
192.04297	48.0
193.04773	3.9
207.06633	100.0
208.06903	6.2
225.07664	2.6
387.12872	3.9
387.16742	58.8
388.17096	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1451
Annotation	Sphenostylin C
Peak:m/z	Relative Intensity
71.05018	1.2
79.01917	2.3
85.06618	1.0
95.01407	0.6
95.05015	3.0
97.02976	2.0
98.22574	2.0
107.05048	0.8
108.02183	8.1
109.02968	2.8
109.06628	1.6
111.04530	9.1
112.88187	0.7
120.23524	0.5
121.02992	1.2
121.06623	0.8
121.52570	0.5
123.04527	1.3
123.08168	3.8
139.04018	7.1
147.08159	0.8
148.05363	1.1
150.06851	0.7
153.21712	0.5
159.04529	0.8
160.05286	1.2
161.02495	1.5
162.03236	4.8
163.03760	0.6
163.07655	2.1
165.01846	0.7
165.09219	17.7
166.02682	1.2
173.06027	0.8
174.03149	0.8
175.04070	0.6
175.07646	0.7
177.01971	1.5
177.05563	9.4
179.10843	0.6
186.06895	1.3
189.05634	0.6
191.03519	1.2
191.07106	3.6
199.07616	0.7
201.05602	0.7
204.04260	0.8
205.05124	1.5
205.08717	1.2
207.06631	4.1
208.07367	1.3
209.08199	100.0
210.08519	6.3
213.05446	0.9
219.06616	17.9
220.07094	1.6
221.08162	1.2
223.09727	2.9
227.07155	1.6
228.07863	0.9
229.04915	0.7
230.05783	1.3
231.06540	1.1
233.08192	13.7
234.08513	1.3
235.09714	1.5
241.05061	0.9
245.08171	5.3
246.08934	4.4
247.09584	0.6
255.06738	1.0
257.04413	1.2
263.09155	3.3
273.07669	2.3
281.08261	0.8
283.06134	0.7
284.10248	0.6
285.03946	2.5
285.07074	0.8
287.09039	0.6
297.07681	0.9
297.11111	0.8
298.12070	2.3
299.12704	1.1
300.09875	1.4
309.07657	1.2
311.05609	0.8
311.09222	1.4
313.07208	1.3
313.14465	1.6
325.10724	2.1
327.08783	11.0
328.09351	6.2
329.10266	1.5
339.08597	0.8
341.10364	2.8
342.10983	2.9
343.11874	22.8
344.12268	3.0
353.10144	0.9
354.11179	3.1
357.13443	29.8
358.13870	3.8
369.13412	13.6
370.13708	2.1
387.14380	55.3
387.18042	3.3
388.14713	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	387.1452
Annotation	Tenellic acid B
Peak:m/z	Relative Intensity
50.54639	0.7
57.19506	0.7
58.11231	0.6
59.01378	1.3
65.00314	0.9
69.26953	2.2
69.27355	1.5
82.82812	0.5
87.04526	15.7
98.22582	1.2
107.01386	1.4
111.04529	18.1
132.49957	0.6
153.12204	0.6
154.10413	0.7
161.06128	0.6
175.03981	0.8
179.07195	0.8
181.08684	1.7
181.10300	0.6
189.05586	2.2
190.06337	2.4
191.07109	0.8
203.03513	1.3
203.07118	0.7
204.07921	3.3
205.08725	11.2
206.05827	2.8
215.06955	0.6
217.05069	1.2
218.09344	0.7
219.06636	1.7
219.10216	2.2
221.08208	0.9
229.08733	2.4
231.10202	0.7
232.07420	2.4
233.08199	1.5
241.05135	0.8
242.05630	0.8
245.11835	0.9
247.05975	2.2
247.09760	26.0
248.06956	0.9
248.10014	1.4
257.08167	2.2
261.07712	0.8
269.04480	3.2
269.11761	0.7
271.09543	0.8
272.10333	0.9
272.14288	1.0
273.07794	1.2
273.11304	1.6
275.09262	8.7
276.09647	0.8
277.10870	1.3
284.06937	7.9
284.14297	0.8
285.07468	1.7
285.11343	1.8
286.05078	0.8
287.05838	0.7
287.16553	1.0
289.10837	2.3
293.06659	0.8
299.02057	1.3
299.09274	20.6
299.12662	0.8
299.16422	1.5
300.09808	1.4
300.13693	1.3
301.07135	4.9
301.10489	1.3
302.07846	1.1
311.09430	0.9
313.10825	1.6
314.08002	2.6
315.16095	2.7
317.10297	2.2
328.13092	1.5
329.10312	1.9
331.15561	0.9
342.07495	6.1
343.08044	1.1
343.15442	2.5
357.09833	12.6
359.14999	6.0
360.15384	1.0
372.12128	6.0
373.11960	0.8
387.14493	100.0
388.14792	12.5
388.19501	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28905	0.3
57.55828	0.3
59.01375	0.5
67.01900	3.8
68.99814	0.3
69.34129	1.9
71.05034	0.9
78.29203	0.3
79.01919	0.3
80.02661	0.4
80.27124	0.3
81.03478	1.3
83.01414	0.5
93.03445	0.3
95.01392	2.9
95.05052	0.3
95.73366	0.3
98.22485	0.7
106.69618	0.3
107.01407	5.4
108.02184	30.4
109.02448	0.6
110.00117	0.3
111.00929	2.5
112.98837	0.5
121.02970	1.1
123.00899	5.6
123.04540	13.4
124.04845	0.5
125.02480	2.1
125.09779	0.6
131.91542	0.3
133.96063	0.3
138.03256	0.8
139.00409	0.5
149.02457	2.1
151.00420	2.2
152.01167	63.2
153.01518	2.4
157.94591	0.3
166.02718	7.5
167.03510	100.0
168.03851	3.6
177.01941	9.2
177.03520	0.4
178.02702	4.9
192.04306	9.0
193.05049	6.0
202.87010	0.3
221.08260	0.6
307.48010	0.3
321.98828	0.4
327.21844	0.8
387.14551	9.3
387.24039	1.2
388.14832	1.1
394.85385	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1452
Annotation	Sphenostylin C
Peak:m/z	Relative Intensity
54.49512	0.5
59.01371	1.1
68.11237	0.4
69.03486	0.7
71.05021	0.9
79.01881	0.8
85.02836	0.4
85.06619	0.5
87.04515	0.6
88.04057	0.7
95.01344	0.7
95.05017	1.7
97.02938	0.8
99.00903	2.7
108.02180	15.7
109.02979	2.5
111.04536	5.8
117.01930	1.0
121.02957	1.2
123.04531	1.7
123.08160	2.6
125.09727	0.9
138.03186	0.6
139.04045	2.4
148.05327	0.9
149.02458	2.9
149.06116	0.9
150.03236	0.9
151.03972	0.5
152.01114	0.7
161.02477	1.5
162.03224	1.5
163.04033	2.9
163.07655	0.8
165.01875	0.8
165.05588	0.7
165.09204	5.1
167.03473	0.8
173.05989	0.6
173.11804	0.6
174.03162	0.7
177.01935	11.3
177.05540	1.6
178.02719	9.3
179.03259	0.6
179.07104	0.9
180.04236	0.4
186.06812	0.5
189.05553	0.8
191.03542	0.6
191.07135	1.9
192.04311	11.3
192.07881	0.9
193.05080	10.7
193.08720	0.6
194.05479	0.6
205.04982	1.2
205.08698	0.9
207.06596	1.2
208.07352	1.4
209.08197	20.2
210.08566	1.4
213.05618	0.7
215.07179	0.5
217.08794	0.9
219.06648	10.0
220.07166	0.9
221.08180	1.8
222.08884	1.5
227.07034	0.9
228.07921	0.5
230.05754	0.8
231.10182	0.7
233.08185	11.1
234.08571	1.0
235.09793	3.1
241.05064	0.6
245.08040	2.5
246.08893	1.6
255.06625	1.0
255.10313	0.5
257.04651	0.7
257.08167	0.5
263.09244	7.0
264.09561	0.6
273.07675	1.3
275.09280	1.6
281.08499	0.6
283.09833	1.0
283.19049	0.7
285.04166	0.7
287.08923	0.5
287.22272	3.7
298.12143	0.7
299.09195	0.8
300.09918	0.8
309.07571	0.6
309.31851	0.4
313.07086	0.6
313.14484	0.8
325.10797	0.9
327.08792	4.2
328.09497	2.8
329.10294	2.8
339.08554	0.6
341.10364	1.4
341.24802	1.0
342.10931	2.2
343.11847	8.0
343.15344	0.7
343.26300	1.2
344.12189	0.9
353.10071	0.5
354.10953	1.1
357.13406	6.5
358.13959	0.6
369.13483	4.0
369.28085	0.6
370.13983	0.8
371.26010	2.5
371.41165	0.4
372.12271	0.6
387.14493	100.0
387.24667	2.4
387.28891	11.0
388.14838	13.2
388.18637	0.4
388.29407	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1453
Annotation	Renealtin A
Peak:m/z	Relative Intensity
50.53296	0.3
54.28392	0.3
54.78782	0.3
55.01897	0.3
56.64291	0.3
57.82582	0.3
59.01387	0.3
65.03945	0.3
67.01888	0.5
69.65068	1.1
73.02940	0.5
77.03965	0.3
79.01881	0.5
83.05031	0.3
85.06571	0.3
87.04543	0.4
95.04982	0.4
97.02960	0.7
98.21782	0.3
99.00893	1.2
107.05043	3.0
108.02184	1.1
109.02965	0.6
111.04531	9.7
115.57187	0.3
117.01976	0.4
121.02968	0.4
121.06604	1.1
122.03757	0.8
123.04539	8.8
123.08183	0.5
124.04871	0.5
125.09730	0.3
134.03745	0.3
135.08228	0.4
136.01683	0.3
137.02464	1.0
137.06157	0.4
138.23457	0.3
139.04016	0.5
147.04510	0.3
149.02489	2.4
150.03226	2.5
151.04024	19.6
152.04364	0.9
159.04544	0.5
159.08235	0.4
163.04002	0.3
165.05553	2.2
165.09198	1.2
167.07109	0.6
169.56303	0.3
173.06155	0.3
175.03941	0.3
175.07669	1.1
177.01961	4.0
177.09221	1.3
179.19304	0.3
189.09224	0.7
191.07251	0.5
191.10783	0.6
193.08733	5.8
194.09081	0.5
195.06512	0.3
201.05450	0.3
203.07156	11.5
204.07472	0.7
207.06682	0.5
209.08226	4.2
210.08542	0.4
219.06544	0.9
221.08203	100.0
222.08560	7.0
233.08267	0.6
234.81059	0.3
235.09769	5.3
236.10254	0.4
245.08170	0.4
251.09183	0.3
263.09238	0.5
275.09344	1.1
287.22253	1.6
317.10355	1.0
322.73105	0.3
343.11935	0.5
369.13367	1.4
370.13953	0.4
387.14520	36.3
388.14807	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	387.1451
Annotation	Renealtin A
Peak:m/z	Relative Intensity
60.95639	0.8
65.99297	0.8
71.05010	1.5
71.72546	1.0
79.01895	1.0
85.06596	1.4
87.04475	1.1
95.01347	0.9
95.05087	1.8
97.02951	1.6
107.05037	4.7
108.02195	3.4
109.02992	2.2
109.06609	1.7
111.04536	23.1
112.04903	1.0
121.02970	1.6
121.06655	1.4
122.03753	2.7
123.00931	0.9
123.04533	15.7
123.08183	6.1
125.09779	1.1
135.04512	1.8
135.08157	1.0
136.92886	1.1
137.02457	3.1
138.03261	1.0
139.04030	3.4
147.04541	1.0
149.02417	5.4
150.03268	8.9
151.04028	26.8
161.02417	1.2
163.04033	3.7
163.07695	1.2
164.04790	1.3
165.02025	1.3
165.05580	5.6
165.09245	4.6
167.07159	1.4
175.07663	1.3
177.01929	4.3
177.09242	1.9
178.02626	1.7
179.03543	2.2
181.05031	1.4
189.09241	2.4
191.07097	1.3
191.10754	2.0
193.08690	6.3
201.87807	1.0
203.07161	14.5
204.04228	2.2
207.06679	2.5
207.10170	1.0
208.07500	1.0
209.06421	1.3
209.08226	17.0
209.87445	0.9
210.08447	1.2
215.07091	1.2
216.08080	1.0
217.08760	1.6
218.47772	1.1
219.06604	4.4
220.28831	0.9
221.08205	98.8
222.08586	7.5
223.09805	1.1
224.06927	5.1
233.08217	6.4
235.09769	13.8
236.10089	1.5
249.07791	2.5
257.08038	1.1
273.20523	1.0
275.09253	7.0
276.61819	0.9
299.84875	0.9
300.44547	0.9
317.10388	5.2
343.15561	2.7
343.25980	1.0
369.13364	3.4
371.25879	1.8
380.45764	1.0
387.14505	100.0
387.28787	6.2
388.14914	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	387.1451
Annotation	Dihydrosinapyl ferulate
Peak:m/z	Relative Intensity
50.50773	0.7
51.07653	0.7
57.03466	1.0
58.91345	0.7
59.01368	3.4
59.26410	0.8
61.38108	0.7
65.03967	1.1
67.01884	2.9
67.05550	0.8
67.97916	0.7
69.11661	5.7
69.12064	1.7
71.01369	1.0
82.50050	0.8
87.04527	2.1
88.61132	0.7
89.02356	0.7
91.01904	3.5
98.21731	1.4
108.02200	1.8
109.02956	11.5
111.04529	49.7
111.08160	1.3
112.04848	1.7
113.09723	6.2
123.04496	0.9
125.02333	0.9
125.06105	3.8
125.09716	1.7
133.06523	1.0
135.00873	3.0
135.04488	1.2
135.08165	20.8
161.06082	9.7
171.37003	0.8
173.11871	1.2
179.07149	86.5
180.07504	5.4
181.08705	27.9
200.50623	0.9
205.05118	3.7
213.03998	1.4
216.07982	4.3
223.96173	0.8
225.11264	1.1
231.10258	19.4
257.08224	1.4
273.11600	1.1
275.09396	1.4
275.12805	1.8
299.09106	0.9
313.10889	2.0
328.13181	1.2
343.15564	9.2
344.15976	1.2
359.15173	1.2
369.19220	1.3
387.14499	100.0
388.10397	1.3
388.14877	11.7
400.39252	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75366	0.9
57.03450	2.6
59.01381	5.0
61.03033	0.8
69.03452	1.2
69.37695	0.8
69.51210	2.5
69.51623	2.4
71.01377	3.1
73.02946	2.0
81.03465	2.9
83.01380	4.5
87.00938	1.1
89.02435	2.0
91.54670	0.8
93.03468	1.9
95.01359	0.7
95.05040	4.8
97.02956	8.1
98.22550	1.0
101.02433	1.4
108.02178	2.2
109.02963	28.5
111.04479	1.0
121.02959	4.6
122.03758	1.4
123.03643	1.2
123.04528	19.0
124.01672	0.8
125.02461	17.9
125.09735	1.7
135.04514	2.3
136.95354	0.8
137.02449	11.2
137.06152	0.8
138.03281	0.9
139.04050	4.7
145.03001	2.3
146.03690	1.9
149.02480	5.9
150.03186	1.0
151.04030	10.9
153.05542	1.3
154.05894	0.8
155.65913	0.7
159.04536	3.9
160.05322	1.0
161.02502	2.1
161.04884	1.1
161.06093	7.6
162.03233	3.2
163.04036	1.9
164.01138	3.6
164.04784	0.8
165.01997	5.0
167.03485	3.1
173.06075	1.1
175.03981	3.3
175.07649	2.8
177.05540	2.2
179.03506	8.7
179.07141	3.6
181.12312	1.3
187.04018	7.2
187.09694	1.7
188.04839	5.2
190.02837	0.9
191.07152	2.6
192.99661	0.9
201.05562	2.0
202.06403	2.0
203.03542	1.4
203.07156	17.7
204.07401	1.3
205.05045	14.3
212.04793	1.6
217.08708	1.3
218.05777	0.8
219.06592	1.8
221.08191	4.6
225.05637	8.4
225.11316	1.5
227.07162	2.4
230.05948	1.0
231.02924	1.0
245.08192	19.8
246.08577	0.9
246.99030	1.0
247.06136	2.4
257.11722	0.8
271.06210	1.7
289.07208	100.0
290.07501	6.6
299.12970	1.8
306.37982	0.8
343.08267	1.3
343.11899	16.9
343.15573	1.1
344.12164	1.9
369.13620	0.9
387.14517	45.3
387.23907	6.8
388.14996	5.4
388.23840	1.1
411.36185	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1662
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
51.52713	0.6
58.00560	0.7
59.01383	54.1
67.19513	0.6
69.70254	2.6
71.01387	10.3
73.02917	0.5
79.14290	0.5
85.02963	2.3
87.00903	0.7
89.02447	11.7
90.09705	0.6
98.22468	0.9
101.02451	7.9
101.29523	0.6
113.02470	4.5
119.03522	5.1
137.88240	0.6
163.11333	3.5
184.27992	0.7
207.10281	15.8
208.10608	1.4
255.35225	0.7
294.08475	0.6
387.16623	100.0
388.17001	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	387.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.8
56.21446	0.6
57.03459	0.6
57.35534	0.7
58.00613	0.8
58.52428	0.6
59.01386	100.0
66.36639	0.7
67.53008	0.7
69.06622	4.3
70.23917	0.6
71.01390	17.6
72.99334	1.2
83.01411	1.0
85.02981	3.7
87.00906	0.8
89.02456	18.9
95.01420	1.0
98.22588	1.3
101.02456	9.9
106.39995	0.6
111.82719	0.7
113.02470	6.4
119.03525	8.5
125.02451	1.1
143.03525	0.8
147.08102	0.8
158.80118	0.8
163.11301	17.8
207.10306	4.2
225.11443	0.9
241.17873	0.8
256.76657	0.8
307.68933	0.7
315.61020	0.8
387.16641	98.7
388.16928	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53823	1.8
53.64489	1.6
57.03416	2.0
65.80626	1.9
72.99300	6.4
75.00849	6.9
79.86980	1.8
81.49000	1.8
97.06586	4.6
98.22540	4.3
99.08141	8.1
111.08123	4.0
125.09725	11.9
127.11296	3.0
139.82967	1.9
165.12842	5.2
171.10300	12.7
183.13893	6.7
193.08383	4.7
193.12376	2.7
197.11752	1.9
211.13408	40.2
214.54956	1.9
221.11552	2.3
229.14471	24.1
233.11617	31.8
249.11166	3.4
251.12971	11.0
329.23355	100.0
329.72647	2.0
330.23648	5.9
343.62305	1.9
351.21487	30.4
352.21985	3.1
369.18991	8.9
372.11832	3.7
387.14413	6.3
387.19171	97.2
387.24152	3.8
388.19440	6.9
391.28476	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	387.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	3.5
57.03452	4.5
58.00596	3.2
59.01382	100.0
60.01715	1.1
68.99800	0.5
69.44727	2.9
69.45134	0.9
71.01387	71.5
72.01734	0.9
72.99319	3.6
73.02958	10.2
75.00865	0.9
83.01400	6.1
85.02959	20.5
86.03300	0.6
87.00881	3.7
89.02451	54.6
90.02793	1.1
95.01402	5.2
97.02946	1.0
99.00883	5.1
101.02449	52.2
102.02757	1.3
111.00900	0.8
113.02460	28.0
113.75783	0.5
114.02750	0.7
119.03512	28.9
120.03867	0.6
123.08180	1.0
125.02454	1.6
131.03481	2.2
135.04506	0.5
136.66551	0.7
137.02461	1.0
143.03510	4.5
149.04555	1.7
153.05586	0.7
159.03041	3.0
161.04564	16.4
163.11305	4.7
165.09109	0.5
167.07106	1.5
179.05605	5.0
195.13904	3.2
205.03299	0.6
207.10165	1.4
225.07637	1.2
225.11295	0.9
225.14964	8.8
289.49353	0.6
300.83762	0.6
387.16306	18.9
387.20255	17.7
388.16650	1.8
388.20474	2.4
388.24536	0.7
393.11005	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2028
Annotation	Ilicifolinoside B
Peak:m/z	Relative Intensity
52.33754	4.2
59.01381	7.5
64.76297	4.1
67.98923	3.8
71.05009	12.4
71.37318	5.9
72.99329	4.1
76.54026	3.8
79.95734	14.1
80.96525	9.9
81.59845	3.8
83.05024	13.5
95.05032	4.4
96.96011	4.1
97.06601	14.2
116.25475	3.9
123.08162	7.4
125.09732	100.0
128.22383	4.4
144.55948	4.1
151.07652	7.7
161.02394	5.0
169.08717	10.1
173.11842	67.3
173.35429	4.6
187.09819	21.2
213.07697	18.5
289.18185	13.4
325.20313	5.0
343.21255	18.2
369.19159	66.1
370.19604	4.8
386.63629	4.4
387.14835	28.0
387.20300	85.5
387.24896	6.5
388.20453	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	387.2029
Annotation	Ilicifolinoside B
Peak:m/z	Relative Intensity
57.03444	4.6
59.35835	2.3
62.15197	2.4
66.52745	2.2
69.10297	18.6
71.05048	2.3
79.95747	6.5
80.96533	6.1
95.05036	2.9
95.64935	2.6
96.96031	3.6
97.06584	17.7
111.08178	8.5
117.87160	2.5
120.19669	2.5
123.08188	9.9
125.09735	100.0
126.10034	5.4
126.38116	2.5
134.01949	2.5
139.11340	3.0
141.56133	2.6
143.10783	2.8
146.29234	2.5
155.10805	3.6
159.10396	5.9
173.11830	21.4
177.02005	4.4
178.02762	7.7
187.09769	23.7
193.05083	9.1
193.46780	2.6
199.09750	5.7
211.63930	2.8
236.53209	2.7
241.10948	3.1
289.05566	2.4
289.18106	10.5
290.34692	2.7
343.21295	5.5
369.19162	59.6
370.19519	6.8
387.14862	12.0
387.20157	72.9
388.15900	2.7
388.20776	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.218
Annotation	Tiegusanin N
Peak:m/z	Relative Intensity
79.01881	3.2
85.09996	0.6
98.21687	0.9
98.51882	0.8
102.19505	0.6
107.05157	0.6
109.02950	1.1
111.04517	7.3
123.04526	0.8
124.43109	0.7
137.02435	0.8
137.09746	2.8
149.06085	6.7
151.04028	1.5
155.71794	0.7
164.86850	0.6
165.05573	0.8
166.06389	2.3
167.07098	1.4
177.09244	1.7
179.03508	5.6
181.08745	0.7
193.05054	15.7
193.08713	1.5
194.05838	8.2
206.09615	0.7
207.10263	2.0
221.08200	100.0
221.11819	11.2
222.08577	6.6
222.12173	0.9
226.04852	1.6
228.74133	0.8
233.08191	1.0
233.11784	3.0
235.09854	1.5
235.13412	1.1
236.10536	12.0
237.11084	1.4
250.08542	1.4
251.09213	0.8
257.80679	0.6
261.07574	1.3
268.09546	2.1
303.15982	12.8
303.19373	0.8
304.16309	1.9
329.17578	0.7
387.21747	63.5
387.25629	31.8
388.21588	8.8
388.26721	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	387.218
Annotation	Tiegusanin N
Peak:m/z	Relative Intensity
50.08726	0.3
57.03448	0.9
59.01365	0.6
68.55559	0.3
69.17027	2.4
85.02961	0.7
87.04528	1.7
89.10506	0.4
95.05052	0.3
96.96043	0.4
97.06622	1.1
99.08181	0.9
101.79253	0.3
107.01425	0.4
107.08679	0.8
108.02180	0.7
109.02956	2.8
109.06599	0.6
111.04536	1.0
111.38523	0.3
113.09765	0.5
121.06619	0.5
125.02462	0.5
125.06104	4.5
139.03987	0.3
147.04712	0.4
149.06070	0.3
149.09677	0.5
150.08603	0.3
151.04045	0.6
151.07687	4.2
152.07976	0.4
159.08165	0.7
164.04823	0.3
165.09315	0.3
175.04012	0.3
178.02808	0.5
179.07181	0.7
181.08734	0.8
181.98473	0.3
191.10867	0.8
193.08844	0.4
194.04472	0.7
195.06688	0.6
196.02676	0.6
197.08206	1.8
201.09383	0.4
203.07141	4.4
209.08243	0.6
216.04086	0.3
217.08788	0.5
218.09518	1.3
219.06668	0.5
219.10329	1.0
219.89444	0.4
229.05070	1.0
231.10263	8.4
232.10576	0.7
233.08337	0.3
243.10219	0.6
245.08234	1.3
245.11839	1.1
246.12645	5.4
247.13062	0.6
248.10649	0.4
257.04587	0.6
259.09665	0.4
260.10574	0.5
261.12131	0.4
261.14960	12.5
262.15408	1.3
271.06158	0.9
272.10614	1.0
273.11310	1.7
275.09250	0.5
275.12732	0.4
277.11014	1.0
285.07703	0.8
285.11633	0.6
285.14993	2.8
286.12222	0.5
287.12878	1.6
288.13644	0.6
301.10916	2.9
301.14520	0.9
303.16107	0.7
304.66162	0.4
313.11017	0.5
314.11676	2.6
315.12515	2.5
315.16174	0.8
327.16199	1.1
329.13959	41.4
330.14273	4.6
343.19476	0.4
344.16306	8.1
345.16745	1.2
369.17102	3.4
370.17480	0.5
372.08615	0.7
373.12030	0.9
387.21939	100.0
388.14084	2.9
388.22272	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	387.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72840	1.3
55.07140	1.4
56.01612	1.6
57.03439	4.1
69.28443	2.6
69.28838	9.7
75.56599	1.6
87.00883	100.0
100.57389	1.5
124.01690	2.0
130.99863	3.6
139.06442	1.5
203.43213	1.5
218.69412	1.6
253.21863	1.4
253.22783	2.1
253.25331	19.7
281.24884	15.1
282.25177	2.2
283.22824	14.5
307.22803	73.2
308.23166	5.8
325.24063	2.1
387.23911	31.5
388.24216	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	387.239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52917	0.8
55.24639	0.9
58.62297	0.8
59.01386	37.2
62.51003	0.8
71.28160	1.2
83.05040	1.0
87.04491	0.9
97.06604	4.1
109.02999	1.0
111.04507	3.6
111.08153	0.9
117.05563	1.1
123.04470	1.5
123.08160	3.5
125.02457	2.5
125.06062	1.1
125.08841	1.5
125.09737	26.2
126.10075	1.1
127.11292	3.5
137.02444	1.9
151.04022	2.5
151.11299	1.1
155.10799	3.1
159.10237	0.9
169.08812	0.9
169.12358	32.4
170.12636	2.0
171.10287	64.2
172.10596	2.1
173.11838	55.3
174.12167	2.4
177.01961	1.0
181.05063	1.4
181.08763	1.1
185.11804	2.4
192.04205	1.1
193.08682	1.6
207.06497	1.2
209.08176	1.6
221.08202	4.7
231.10263	1.2
234.36818	0.8
261.07690	2.1
275.09354	2.0
287.22327	24.8
288.22708	1.9
299.09451	1.1
307.22675	4.9
323.23782	2.1
325.23871	9.6
327.21768	32.0
328.22195	3.7
331.99731	0.9
341.24698	2.1
343.15668	1.1
359.20935	1.1
369.13348	1.0
369.22754	17.8
370.23376	1.5
387.14941	14.7
387.23935	100.0
388.14822	2.5
388.24387	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	387.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.9
59.01375	1.2
69.92184	0.7
71.01382	0.6
89.02452	0.7
91.04008	1.5
98.21783	0.8
170.95613	0.4
211.47549	0.5
223.20566	0.6
249.22292	1.2
251.23795	91.5
252.24117	8.6
269.24896	2.0
295.22787	50.4
296.23178	5.0
301.20511	0.5
313.23849	100.0
314.24179	10.1
387.27512	42.3
388.27826	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.7
66.00271	1.1
70.32287	3.2
77.90694	1.1
89.74287	1.1
91.04020	1.8
101.28608	1.0
128.79164	1.1
237.34813	1.3
249.22284	1.3
251.23811	87.8
252.24095	8.8
269.24835	1.8
295.22815	51.3
296.23062	5.6
313.23868	100.0
314.24258	9.8
387.27652	38.9
388.27954	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	388.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95530	28.2
59.01368	65.8
65.95314	32.9
69.38274	100.0
69.38683	65.2
77.28570	26.9
78.13172	29.3
84.73922	29.7
101.02461	32.0
113.02441	36.4
117.12984	25.5
126.30019	31.9
149.27238	36.8
153.02003	31.5
170.34923	25.9
212.60712	30.0
248.12227	26.0
248.60707	32.2
263.67822	29.7
356.72440	32.3
388.16974	83.5
398.52655	36.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1407
Annotation	N,O-Dimethyloxostephine
Peak:m/z	Relative Intensity
56.21996	0.7
57.60205	0.6
59.33502	0.6
64.02595	0.7
67.82257	0.6
69.61679	2.2
69.62082	1.5
74.30394	0.7
81.03480	1.5
83.21926	0.6
85.02955	0.8
85.18037	0.7
87.04510	0.8
95.48502	0.7
99.08181	0.9
102.91815	0.6
108.02181	3.1
109.02969	3.8
111.00899	1.0
111.04548	3.3
119.05029	1.3
121.03007	1.3
121.06586	1.3
123.00911	2.7
123.04552	1.2
123.08153	0.7
124.01698	1.4
125.02526	0.9
125.06085	1.9
135.00899	0.9
135.04532	2.3
136.01680	10.5
137.02460	5.3
146.03726	2.2
147.04507	1.0
147.08206	1.6
148.05310	9.2
151.04028	12.7
151.07596	1.0
152.01172	0.8
153.01942	7.1
154.01472	1.7
163.04044	1.5
163.07666	9.3
164.04829	4.0
165.00688	0.9
165.01965	0.9
166.05092	5.1
174.05637	1.3
175.04066	1.3
175.06351	0.9
175.07744	2.5
177.05626	1.3
179.07100	2.2
181.00162	7.2
181.08748	1.7
182.00949	9.5
183.06624	0.8
186.05627	0.8
190.06366	1.1
193.03822	0.8
194.04602	9.1
195.06660	0.8
196.02534	10.8
200.04977	0.7
202.05133	1.2
203.07158	1.2
204.07706	0.8
209.08238	3.4
220.06252	1.3
221.06650	3.7
222.07724	2.2
223.09834	1.0
225.07542	0.8
231.10327	1.6
232.10661	1.9
235.08499	1.3
236.09329	1.2
241.08899	0.8
247.12935	1.1
249.07570	1.1
261.15009	2.0
262.15408	2.7
268.10812	0.7
273.11130	0.8
275.09436	0.8
275.12823	0.9
285.15079	1.1
286.15302	0.9
302.11368	0.9
315.12335	2.4
316.12802	1.3
327.22638	0.8
329.14020	3.3
330.14310	9.7
330.18060	1.2
331.14978	0.9
342.25052	1.0
344.16290	0.7
345.12314	2.9
345.16925	4.3
356.11832	0.8
370.17676	1.3
373.11682	54.3
374.11948	5.3
387.21851	2.7
387.27533	1.0
388.14099	100.0
388.21979	33.4
388.27335	2.3
389.14749	11.7
389.19861	4.5
389.27063	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1037
Annotation	Celebaquinone
Peak:m/z	Relative Intensity
59.01378	11.0
71.29469	1.0
71.29826	0.8
93.03456	11.0
96.96017	11.7
108.02201	1.3
109.02943	4.3
117.03458	3.8
118.39706	0.8
119.05039	1.3
119.83363	0.8
121.03014	1.1
123.00907	1.2
123.04550	1.2
125.09727	0.9
127.88579	0.8
134.78940	0.8
135.04535	3.4
145.02975	19.8
146.03278	0.9
159.04544	3.8
161.02492	1.4
180.05852	1.2
181.06590	1.6
183.04504	2.1
185.06110	3.6
196.05357	1.7
197.06131	1.5
201.05652	1.1
205.17439	0.8
209.06119	6.3
211.04071	4.1
211.07448	1.2
212.04710	1.3
213.05518	1.2
224.04805	1.6
225.05576	8.9
237.05521	1.9
238.06123	0.9
239.07094	1.5
240.04256	2.6
243.06551	4.7
253.05095	26.5
254.05592	5.1
263.07004	1.1
267.06635	1.5
269.08026	1.2
277.08737	2.4
279.06750	1.0
279.10309	1.4
295.06110	10.3
296.06635	1.4
301.08844	1.8
303.10049	1.1
304.07397	1.0
304.87027	0.9
305.08127	2.0
329.08020	1.8
329.23340	1.2
347.09280	22.9
348.09705	3.1
389.10349	100.0
389.16098	5.7
390.10724	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	389.1092
Annotation	Sagitol
Peak:m/z	Relative Intensity
52.34344	0.6
55.01862	2.0
57.03431	1.0
58.00582	1.0
59.01380	25.4
65.21346	0.6
65.60120	0.6
67.01878	1.3
69.26257	1.5
69.26664	3.1
71.01385	23.1
72.01720	0.8
72.99290	1.4
73.02961	5.6
75.00871	0.8
75.08219	0.8
79.01849	1.0
83.01384	3.9
85.02956	9.7
87.00869	2.4
89.01958	1.0
89.02452	12.3
95.01387	3.4
97.02934	1.0
99.00877	1.4
101.02451	20.0
107.01359	2.8
109.02955	1.6
111.00856	2.4
113.02445	8.3
119.03521	4.4
119.75316	0.6
123.00017	0.9
123.00893	15.1
124.01704	1.2
125.01531	1.3
125.02443	18.2
126.02802	0.9
127.00362	1.1
131.03520	0.9
136.98790	1.9
137.02455	11.4
138.03273	0.6
139.00383	6.3
140.01144	3.3
141.01897	2.3
151.00391	12.6
151.04010	1.8
152.04832	4.5
153.01900	0.7
154.99820	0.6
159.03061	0.7
161.02397	1.7
161.04514	1.3
167.07051	1.3
168.00624	3.0
169.01442	23.5
176.04755	1.0
179.03397	3.9
184.03775	1.5
184.35368	0.7
194.05858	4.4
197.04457	0.9
209.08235	9.8
210.08543	1.1
212.06956	7.9
227.09248	23.7
228.09514	2.0
271.04358	0.8
313.05603	1.5
328.09225	0.7
389.10779	100.0
389.14523	6.4
390.11197	9.1
390.15457	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.4
59.01376	1.9
75.00884	5.4
84.97840	1.1
123.00913	4.7
125.02467	2.3
125.09753	2.4
127.20324	1.2
137.02451	1.5
139.00362	1.5
139.87675	1.1
149.02536	1.6
151.00377	46.8
152.01152	7.2
153.01999	11.0
153.66223	1.0
157.58304	1.2
165.01935	1.5
166.02725	82.4
167.03333	5.3
171.10301	3.0
176.04744	1.8
177.01964	8.7
177.05585	1.3
180.04314	3.2
181.05078	100.0
182.05418	5.2
191.07166	2.1
192.04259	12.0
192.07968	4.3
195.06599	1.4
207.06624	16.3
211.13396	6.2
223.49500	1.2
229.14474	4.6
233.11630	5.3
249.11169	1.3
251.12708	2.3
255.05377	1.3
280.36465	1.1
329.23358	13.1
330.23608	2.2
331.24149	2.3
345.17331	1.4
345.24503	1.6
351.21655	4.7
365.38440	1.2
374.13812	11.9
375.14093	2.2
389.16180	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	389.1456
Annotation	Penstemonoside
Peak:m/z	Relative Intensity
55.01882	2.6
57.03432	2.8
59.01382	32.1
60.01688	1.2
69.48490	6.8
71.01386	41.5
73.02956	12.7
75.00864	3.2
83.01389	6.2
85.02951	17.1
87.00873	5.8
89.02454	14.8
95.01398	2.9
99.00896	5.2
101.01823	2.4
101.02452	39.1
103.55710	1.4
109.02946	4.5
113.02446	16.7
113.87437	1.3
119.03531	8.2
131.03497	2.8
137.02448	44.8
138.03217	1.7
143.03503	2.5
152.04799	26.0
153.05557	3.2
159.03052	2.2
161.04546	5.8
167.07141	5.0
179.03459	5.0
184.03723	3.9
193.05069	2.0
194.05820	4.6
197.04424	3.3
207.55289	1.4
209.08133	9.3
212.06908	33.8
213.07253	2.2
221.06499	1.7
227.09251	100.0
228.09546	5.4
279.99478	1.4
389.14520	55.0
390.15070	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	389.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.9
59.01383	19.1
59.47519	1.7
67.14397	1.6
70.12636	4.9
71.01385	24.2
73.02943	7.6
74.99089	1.9
75.00869	5.3
77.04691	1.8
83.01377	4.1
85.02959	10.7
87.00874	11.8
89.02437	10.0
89.17981	1.8
95.01417	2.3
98.21703	1.5
99.00866	2.9
101.02463	15.6
111.00872	2.0
113.02433	9.1
119.03525	4.4
123.00908	5.8
125.02432	5.3
137.02451	21.6
138.03258	2.9
139.83276	1.7
150.03230	7.2
151.00345	3.9
151.04036	4.1
152.04768	7.0
153.05553	3.7
159.02971	1.7
161.04564	4.7
165.05635	2.4
168.00604	1.5
169.01439	4.1
178.02748	4.9
179.03506	52.3
180.03906	3.5
193.05069	46.5
194.05867	39.1
195.06195	3.5
208.07373	14.6
209.08208	100.0
210.08499	7.4
212.06885	8.7
222.61517	1.9
227.09250	25.4
228.09413	2.1
237.06113	4.3
300.99915	3.1
361.75607	1.7
389.10184	16.4
389.15442	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	389.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.2
57.03445	2.2
58.24754	2.0
59.01101	2.8
59.01387	40.1
61.98840	10.8
71.01384	56.4
73.02963	11.6
74.99102	2.4
83.01388	7.6
85.02956	24.6
87.00893	5.7
89.02452	22.3
95.01390	6.1
96.96979	3.0
98.22524	7.6
98.77898	1.8
99.00885	5.9
99.92564	2.6
101.02445	37.4
109.02940	6.5
113.02477	18.5
119.03512	8.6
123.00869	4.2
125.02486	10.0
131.03531	5.5
135.04463	2.8
136.99133	3.4
137.01482	3.3
137.02463	57.7
138.03212	3.9
144.44894	2.0
145.03001	2.8
146.69951	2.3
152.04800	21.6
153.05585	5.0
159.03018	2.6
161.02464	4.1
161.04559	9.3
163.00284	2.3
167.03464	3.2
167.07156	2.4
169.01413	5.2
179.03481	9.9
184.03833	4.7
194.05847	8.8
197.04623	2.9
204.96033	2.4
205.01573	2.0
209.08191	12.9
212.06918	30.5
227.09271	100.0
228.09555	5.7
231.03040	2.4
232.95450	2.9
233.96056	3.0
273.00290	2.3
275.02148	4.5
300.99857	4.2
345.15259	2.5
352.77304	2.3
362.02701	4.0
389.06625	3.3
389.14655	63.4
390.14941	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	389.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.0
81.03458	1.3
85.04107	0.4
88.90887	0.4
97.02942	1.0
98.22453	1.2
109.02936	0.7
109.06600	0.6
111.00867	0.5
111.04543	0.9
113.02444	0.7
113.09736	0.7
125.02456	41.6
125.06068	1.0
126.02767	1.3
136.01646	0.5
139.04025	1.0
153.01949	100.0
154.02278	4.2
164.04800	0.9
165.09261	0.8
179.07133	3.5
181.08698	5.1
182.09204	0.4
195.06595	0.5
197.08186	1.5
201.13014	0.5
201.75279	0.5
207.06659	4.9
209.08183	5.1
211.38542	0.5
221.08203	1.6
223.09619	1.1
235.09775	0.5
239.09265	1.1
248.06812	0.6
254.28464	0.6
389.15869	1.4
389.19904	11.0
390.20020	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.161
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21737	0.9
54.49635	0.7
63.05001	0.7
69.16866	6.2
81.03469	13.6
85.02960	0.9
86.63921	0.8
98.21841	1.9
102.81826	0.8
109.02959	39.5
110.03267	1.1
113.09713	3.4
115.09403	0.7
125.66306	0.7
140.45593	0.7
142.65457	0.9
153.01953	100.0
154.02274	3.5
158.68851	0.8
165.01892	0.9
170.23111	0.8
181.08717	18.9
182.09059	0.9
190.81433	0.8
204.20544	0.9
223.09694	1.7
263.12784	0.9
371.26096	1.1
380.49506	1.0
389.12106	1.1
389.19849	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	389.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.7
59.52429	0.5
68.99841	0.7
71.27841	0.6
72.32484	0.5
79.01888	1.4
79.95728	2.2
85.02969	1.2
85.06569	1.1
87.00874	1.8
87.04510	2.3
89.22777	0.6
95.05038	3.7
96.96008	7.1
97.02969	2.2
109.02969	0.8
109.06612	2.7
111.00882	0.8
111.04529	4.8
121.02986	1.5
121.06609	0.7
123.04525	0.9
123.08176	2.6
125.02460	16.5
125.06117	2.6
125.80312	0.5
136.01669	4.0
136.05261	0.7
137.02440	0.7
138.03256	1.0
139.04018	6.8
140.04343	0.6
147.08182	0.7
149.02521	0.7
150.06847	0.5
151.03999	0.9
153.05533	0.6
163.03995	0.6
163.07692	1.5
164.04820	3.0
165.01935	0.5
165.05569	0.8
165.09218	22.6
166.02715	1.0
166.09579	1.3
179.07146	38.7
180.07550	1.4
183.06648	1.4
185.11787	0.8
191.07158	1.7
193.05031	0.6
193.08684	1.9
195.06648	2.1
207.06563	1.5
209.08197	100.0
210.08493	6.4
217.12428	0.9
219.13910	1.6
223.06172	0.8
225.07646	4.3
236.06943	1.3
237.07607	1.2
263.12891	12.0
264.13239	1.0
345.20660	1.0
389.15695	12.5
389.19873	4.3
389.27350	0.9
390.16458	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	389.161
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33173	0.5
59.01376	0.9
81.03484	0.6
87.92587	0.5
95.05003	0.8
105.07133	0.8
107.05021	1.7
108.02231	1.1
109.02973	0.6
121.06670	3.0
123.00915	1.1
123.04550	3.4
125.09665	0.7
134.03735	0.9
135.04536	28.8
136.04889	1.3
136.75768	0.5
137.02452	6.1
138.03188	0.8
149.06088	11.8
151.04068	2.6
152.01218	1.0
152.04776	2.0
155.46048	0.6
158.43469	0.5
162.03195	0.7
162.26071	0.6
163.04007	2.2
165.01933	7.1
166.06372	1.2
167.03561	1.1
179.03600	2.7
179.07149	29.2
180.04469	4.5
180.07933	66.4
181.08284	4.1
182.05867	1.6
184.03796	1.0
185.11751	0.5
191.16003	0.6
192.07961	1.0
193.05038	0.7
194.04279	0.8
194.05809	4.4
194.09482	3.8
195.06654	5.6
195.10277	7.4
207.06621	0.6
208.07407	15.2
208.83708	0.5
209.07939	0.9
212.05046	0.7
212.06857	3.4
215.12891	0.7
222.08989	2.0
223.09769	100.0
224.10092	6.6
226.08469	9.3
235.09680	1.2
256.03775	0.7
313.10590	0.8
329.10443	1.1
330.10992	1.2
341.10306	2.9
345.13461	2.0
346.14276	1.6
348.41492	0.5
356.12781	1.6
359.15225	0.8
361.16583	4.9
365.65555	0.6
371.15167	1.5
389.16196	5.7
389.25510	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	389.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.2
65.24690	0.7
69.02512	3.5
69.02938	3.7
71.09838	0.7
78.33622	0.9
79.01901	1.2
82.57578	0.8
85.02961	1.1
85.06584	1.9
87.04578	0.8
95.01390	1.8
95.05032	5.0
97.02943	2.2
109.02969	2.6
109.06583	2.8
111.04534	7.9
113.02469	3.8
123.04537	1.1
123.08157	2.1
124.53920	0.8
125.02447	6.8
125.06098	4.3
131.86566	0.8
137.09702	2.5
139.04036	9.8
150.03284	1.0
151.04031	1.0
151.07632	2.1
153.01973	9.3
153.09282	1.3
163.07642	1.2
165.01942	1.3
165.09222	19.8
166.02701	1.5
166.09546	1.4
177.01910	1.2
177.09224	1.5
178.02687	0.8
179.07130	11.4
179.10756	1.0
180.07820	0.9
181.08722	2.5
191.07164	1.7
193.08667	2.0
195.06635	9.1
195.10297	1.8
197.08188	7.9
207.06609	3.0
207.10252	1.7
208.07330	1.1
209.08203	100.0
210.08562	5.7
213.91180	1.0
219.06660	1.6
221.08165	6.0
223.06120	1.0
223.09729	1.4
230.05690	0.9
233.11879	3.7
234.08925	2.3
235.09621	1.7
237.07545	1.1
239.09288	2.8
245.11897	0.9
247.06001	2.2
248.06923	18.1
249.07390	1.4
251.09207	2.5
259.09662	0.9
261.07617	2.3
262.08224	0.9
277.10818	0.8
301.10760	0.8
345.16977	6.3
347.31961	0.8
359.14493	0.8
371.18567	2.1
388.95444	0.9
389.15787	12.4
389.19751	42.2
390.15765	1.5
390.20352	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	389.161
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96939	0.8
59.01379	2.8
64.57941	0.8
65.57854	0.8
69.03473	0.9
71.01380	1.2
71.59764	0.9
74.55927	0.9
78.21447	0.8
81.03451	5.5
85.02954	8.1
92.34171	1.1
93.03446	2.2
95.05027	2.2
96.30524	0.9
98.69817	0.9
107.05022	1.0
109.02966	22.5
111.00913	5.0
111.04543	3.9
113.02460	2.7
113.09760	1.4
121.02950	2.1
123.00916	1.0
123.04543	2.6
124.01712	1.8
125.02464	2.8
128.59184	0.9
133.02979	1.2
136.01628	0.9
137.02480	3.2
139.00389	0.9
140.01237	1.1
141.01758	0.8
149.02382	1.1
150.03229	1.8
151.04019	31.3
152.04390	1.8
153.01956	28.3
157.85692	0.9
161.02441	2.2
162.03239	23.8
163.03966	3.9
165.05582	1.3
173.06108	1.9
177.05595	5.3
179.03517	83.7
180.04298	63.5
181.04686	3.6
181.08679	8.4
183.06758	1.2
191.07208	2.1
193.04999	1.1
194.05855	43.1
195.06635	100.0
196.06981	5.5
207.06610	1.2
266.22012	0.9
269.08203	3.1
277.14423	2.2
287.09271	2.0
327.16144	1.4
329.02499	1.3
345.13275	1.3
345.17102	7.8
356.12177	1.0
389.12085	1.0
389.16006	15.0
389.20056	2.1
389.25577	6.5
390.16489	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	389.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.2
57.17613	0.5
59.01385	67.4
60.01717	0.7
66.54233	0.5
67.69050	0.5
68.16302	0.6
71.01389	13.6
71.28793	0.8
72.17379	0.6
72.99306	1.3
73.02940	3.4
74.99090	0.6
83.01411	2.9
85.02956	5.1
86.00105	0.7
86.06824	0.6
87.00855	1.1
89.02455	5.8
95.01402	0.7
99.00888	0.8
101.02456	11.5
108.02171	0.7
111.00896	0.7
113.02452	5.1
119.03523	2.8
134.03772	0.8
136.99205	0.8
159.03027	1.0
161.04561	2.5
221.77013	0.6
227.07228	0.8
227.12769	0.7
242.40314	0.6
276.82065	0.6
329.16064	0.9
371.17050	1.4
389.18182	100.0
390.18518	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	389.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44699	1.0
56.57819	1.0
57.03442	3.2
59.01375	3.1
68.02472	1.3
69.94122	5.2
84.84948	1.0
85.02958	5.3
87.04521	1.5
95.01407	1.6
95.05059	2.4
97.02982	2.7
99.08186	2.1
101.06109	1.4
109.02946	2.2
109.06616	2.8
111.04535	6.2
113.02438	6.0
114.48547	1.1
123.00909	1.2
123.08184	3.0
125.02460	14.2
125.06075	8.1
127.07662	1.4
131.15773	1.1
135.08185	1.6
136.68452	1.2
137.02419	1.6
137.09741	5.7
138.03310	1.7
139.04039	5.1
149.06061	1.1
150.03320	1.9
151.03995	2.1
151.07626	1.2
153.01944	28.2
153.05568	2.4
153.09300	1.5
155.10796	1.1
164.01442	1.1
165.09267	4.4
166.02719	1.5
167.03610	1.7
169.08731	1.6
176.76155	1.2
177.01930	1.8
177.09229	2.3
179.07147	6.2
179.10799	2.0
181.08742	9.6
190.02759	1.3
191.07208	1.4
193.08662	2.0
195.06657	2.6
195.10342	3.3
197.08195	15.5
207.06583	2.0
207.10255	2.6
208.07483	3.2
209.08211	32.6
219.13783	1.2
221.08217	16.1
223.09814	5.1
233.08218	2.2
233.11794	1.3
234.09177	2.7
235.09685	8.4
236.06992	1.8
237.07787	2.6
239.09253	11.3
248.06932	2.4
251.09370	6.2
261.07739	4.6
262.08530	3.2
275.09369	1.3
275.12903	1.8
303.12357	2.0
329.17441	1.9
345.17181	3.6
371.18796	6.5
389.15912	7.1
389.19824	100.0
390.15845	1.1
390.20169	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	389.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46461	0.9
57.03444	1.9
59.01390	1.9
68.98612	7.6
68.99021	1.6
71.05030	1.1
79.01900	1.8
79.38592	0.9
81.03484	1.5
82.32792	0.9
83.01412	1.1
85.02972	4.1
85.06600	2.1
95.01411	1.6
95.05044	4.9
97.02968	3.2
99.08189	1.2
101.06103	1.6
109.02995	3.1
109.06604	3.5
111.04541	9.5
113.02460	7.7
115.62000	1.0
117.05996	1.1
123.08202	3.5
125.02466	16.6
125.06094	7.9
125.09711	1.8
135.08199	1.8
137.02438	1.8
137.09723	6.2
138.03236	2.8
139.04030	8.5
149.09689	1.0
150.75058	1.0
151.07626	5.1
153.01942	29.4
153.03152	1.8
153.05641	1.2
153.09259	2.2
165.02008	2.9
165.05518	1.4
165.09245	13.7
166.02780	1.9
167.03542	1.1
177.02013	3.2
177.05711	1.0
177.09294	1.8
179.07149	14.1
180.07899	2.4
181.08728	4.1
190.02647	0.9
191.07202	3.9
192.08044	1.6
193.08698	3.4
195.06644	19.2
195.10330	3.2
197.08214	14.6
205.01617	1.3
207.06676	5.2
207.10324	4.1
208.07512	2.0
209.08209	87.8
210.08525	5.1
219.06650	2.3
219.13969	1.2
221.08192	14.5
221.11841	1.5
223.06212	2.0
223.09872	2.0
233.11855	3.4
234.09000	3.4
235.09770	4.7
237.07761	1.4
239.09265	5.9
248.06914	13.6
249.07428	1.3
251.09195	7.1
257.11969	1.3
259.09799	1.1
261.07730	3.4
262.08478	1.1
275.12769	1.6
329.17636	2.4
332.12741	1.2
345.17053	4.6
354.74020	1.0
371.14883	1.4
371.18683	7.5
389.15903	9.6
389.19891	100.0
390.16479	1.0
390.20178	10.1
412.77615	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25749	0.8
59.89891	0.7
62.27672	0.7
64.14079	0.7
66.15298	0.7
109.06599	71.9
110.06944	2.7
111.04540	2.9
113.09729	2.6
152.10895	0.9
152.77312	0.9
153.05588	100.0
154.05942	3.5
155.94487	0.9
181.08727	20.4
207.82533	0.8
235.08466	1.0
247.14043	0.9
277.14465	1.1
380.10663	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2339
Annotation	7beta-Hydroxy-corymbi-8(17),13E-dienolide
Peak:m/z	Relative Intensity
51.07928	0.3
60.07908	0.3
61.50246	0.3
69.45372	1.9
71.89146	0.5
79.01882	4.0
85.92866	0.3
89.76893	0.4
98.22536	0.6
109.02977	0.5
111.04530	4.6
121.06605	0.4
124.01601	0.4
125.02473	0.5
125.06064	1.3
137.09708	0.5
138.03177	0.6
139.04019	0.6
149.06097	6.7
151.00365	0.6
151.04008	1.3
165.05556	0.9
166.06332	2.0
167.07124	0.7
175.11061	0.3
177.09196	0.6
179.03508	6.1
179.07094	0.4
193.05061	15.7
193.08728	2.3
194.05852	7.8
195.06541	0.8
198.05316	0.5
206.05878	0.7
207.13925	0.4
207.33199	0.3
209.08255	2.9
214.53766	0.4
221.08200	100.0
222.08537	7.6
223.09746	0.6
226.04877	2.0
235.09799	1.6
236.10550	12.9
237.10921	0.9
268.09497	1.8
272.14017	0.3
301.18060	0.7
389.23499	56.9
390.19440	0.8
390.23776	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	389.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
66.33901	19.3
66.88059	25.5
69.02905	100.0
69.03323	98.4
72.56579	24.4
73.77166	18.5
74.17838	19.2
88.35169	25.3
90.57441	21.0
108.74422	21.9
124.25832	25.8
137.73654	25.2
140.05626	24.6
166.63472	22.0
239.06017	20.7
261.12720	23.3
395.02402	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	389.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13976	0.6
57.03448	1.3
59.01379	1.8
59.54057	0.7
61.98831	1.2
67.29140	0.7
72.99306	1.4
75.00880	100.0
76.01226	0.8
80.96522	0.7
81.03440	0.8
83.01403	0.8
85.02972	2.5
87.04530	1.1
95.01433	1.0
95.05023	0.8
101.02493	0.8
105.01935	1.4
108.02203	2.7
109.02969	2.4
111.04539	2.4
113.02496	1.7
114.07732	0.7
121.06572	0.7
123.00864	1.9
123.04530	1.4
125.02447	1.9
125.06097	2.1
125.09775	0.9
127.11305	4.6
136.01668	2.8
137.02434	1.9
139.04027	1.2
151.04054	6.1
153.02034	0.9
153.09193	1.0
155.10805	1.9
157.12341	3.6
162.03268	1.0
163.04080	1.9
163.07677	1.3
164.04797	0.9
166.02818	0.8
171.10295	2.1
175.91270	0.8
178.02716	10.8
179.03493	3.2
179.07196	1.0
180.04305	3.3
181.04961	1.2
187.13435	1.3
189.05490	0.9
190.06369	1.4
193.05077	16.0
194.05757	2.3
195.06653	7.0
197.08195	1.6
201.11412	1.6
205.08739	1.1
207.06757	1.8
220.70062	0.8
221.08197	1.6
239.05719	1.1
295.22928	0.8
313.23743	6.6
314.24332	0.9
329.23358	4.3
331.24911	98.0
332.25220	9.7
345.16989	1.0
345.20584	1.0
357.13525	1.3
371.15027	2.3
389.15530	7.8
389.20050	8.7
389.25613	43.5
390.20380	1.9
390.25870	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	389.2698
Annotation	Amphidinolide W
Peak:m/z	Relative Intensity
69.07115	3.1
71.90137	0.6
81.03453	0.8
85.02977	0.6
87.04520	0.9
99.94913	0.4
109.02975	2.2
111.00920	0.6
111.04524	1.4
123.08175	0.8
125.02468	3.6
125.06109	0.9
126.61711	0.5
135.04532	0.4
141.02098	0.4
151.07664	2.0
153.01956	10.9
165.09236	1.8
165.88643	0.5
175.03970	0.5
177.12834	2.0
179.07188	2.5
180.07178	0.4
181.08731	1.7
190.49451	0.4
193.01471	0.6
195.06627	6.6
197.08080	0.6
206.09457	2.2
207.06714	2.2
209.08189	8.4
210.08566	0.6
219.06575	1.0
221.11832	52.5
222.12152	4.2
223.06113	1.0
223.09723	1.0
235.09787	0.7
235.13402	0.9
248.06879	0.7
261.07779	2.5
262.08542	1.0
267.08871	0.6
268.13199	1.5
301.10742	0.5
314.96823	0.5
331.19217	2.6
345.16925	1.0
353.13675	0.6
371.14807	1.3
371.18958	0.6
389.16113	7.0
389.27005	100.0
390.16379	0.6
390.27661	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	390.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01094	5.5
59.01379	100.0
60.01704	4.8
71.01384	42.0
71.29450	5.0
72.99322	4.1
73.02947	6.6
74.99095	3.7
80.67612	3.8
83.01418	4.4
83.05063	4.3
85.02956	11.3
87.00847	6.2
89.02449	24.7
90.02772	4.7
95.01380	5.5
95.86164	3.9
101.02456	24.6
102.02801	3.4
109.02993	3.2
113.02464	19.5
119.01762	3.5
119.03485	10.0
120.99642	3.7
123.00912	9.4
125.02483	21.4
131.03484	3.8
141.22969	3.4
161.04550	13.0
169.01413	20.1
210.12146	6.8
229.01511	5.4
252.08958	3.7
267.11404	9.4
275.02106	3.7
285.12460	10.5
296.02927	3.8
300.99872	10.6
307.92102	3.6
329.11487	8.8
331.17725	5.6
339.53387	3.2
342.95291	3.3
347.17023	6.6
390.18494	65.6
391.19580	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	390.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68070	2.8
55.95240	3.1
57.73825	2.9
59.01382	3.7
59.06533	4.2
61.98834	32.5
64.17736	3.4
69.26653	22.3
92.09292	3.3
96.96018	100.0
98.21810	7.3
116.76296	3.5
118.61765	3.3
128.65939	3.4
137.02464	11.8
138.03249	20.2
153.05588	10.4
163.03571	4.3
166.06348	5.3
175.66780	3.4
180.04257	6.7
181.04926	3.8
182.05836	53.3
195.06664	3.9
197.08189	64.3
261.39709	3.2
347.26157	3.9
353.70200	3.3
391.17590	35.8
391.25134	4.8
404.17947	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	390.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79844	4.4
57.03444	10.6
59.01371	7.4
61.98833	83.0
65.17602	4.3
69.47731	4.1
69.52660	18.3
74.21107	3.8
79.95739	25.7
83.01367	5.0
85.02953	68.7
87.04565	7.3
93.03456	4.9
95.05048	6.4
96.96022	14.2
97.02934	8.1
97.06623	4.1
109.02953	8.0
111.00890	49.7
111.04526	37.1
113.02460	11.8
121.03033	5.8
121.06609	5.0
123.08151	8.1
125.02458	6.8
125.06110	7.5
139.04034	16.2
151.03979	6.5
154.99904	8.2
155.03526	8.5
155.07256	6.5
164.04796	10.2
167.03493	9.4
167.07133	7.1
169.05025	6.3
179.07118	25.2
181.08725	27.3
183.06647	25.3
194.03564	6.2
195.06599	12.0
195.10350	8.3
197.08162	14.9
207.06570	7.9
209.08179	22.7
221.08067	5.9
233.15448	9.2
233.59982	4.9
248.06851	9.8
259.09705	6.5
276.63742	5.6
296.10599	12.5
298.76871	4.4
303.15927	8.4
311.12814	25.5
319.15500	65.6
347.14847	10.6
347.18619	11.9
373.12762	16.9
373.16907	5.2
390.12201	6.9
390.15985	27.5
390.20529	8.3
390.27319	6.7
391.08557	35.1
391.13776	14.3
391.17682	100.0
391.21527	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	391.0309
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62451	3.5
59.01388	7.6
63.03482	3.5
69.03150	35.8
71.01384	7.4
88.98814	20.2
95.01392	4.9
98.22529	9.6
101.02455	7.8
109.02946	29.5
121.02936	7.6
123.04536	8.4
125.02470	5.5
134.03751	5.2
135.04529	87.2
145.02927	8.4
147.04535	5.1
149.06126	4.1
151.00333	6.4
151.03981	8.8
159.04515	4.8
166.06374	21.0
169.01439	7.7
179.03529	30.1
181.08643	19.8
182.93065	11.7
185.06061	7.5
194.05855	26.8
198.92538	12.0
209.06296	7.2
209.08247	21.7
210.92606	9.6
211.07581	6.9
212.04832	4.1
213.05621	13.6
227.07169	10.4
237.05563	10.5
238.92046	16.7
243.06606	6.0
253.05022	9.0
255.04004	6.1
255.06647	100.0
256.06961	6.5
269.08252	10.7
281.08344	15.1
281.90656	3.8
282.90781	4.7
285.11246	4.1
301.00000	7.7
334.94025	9.5
371.02426	4.3
390.88254	5.8
390.93182	81.0
391.11612	20.2
391.20972	12.4
391.25601	6.8
391.93567	5.2
399.45447	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73485	0.2
56.94601	0.2
57.03440	0.8
59.01357	0.2
61.01035	0.4
67.01892	1.1
69.03463	1.1
71.01385	0.3
73.02950	0.9
81.03484	0.2
83.05045	0.6
85.02951	1.6
93.03466	4.6
94.03829	0.2
98.22616	0.4
99.00924	0.2
99.04531	1.4
109.02959	0.5
111.00888	19.6
111.04523	2.0
112.01246	0.8
113.02446	1.3
129.02000	0.6
136.35658	0.2
137.02422	1.1
140.41502	0.2
143.03502	1.1
154.99817	0.5
155.03523	0.5
155.05223	0.4
173.00940	0.6
173.04532	2.6
191.05629	1.9
199.04196	4.9
200.04565	0.3
201.57108	0.2
207.51793	0.2
217.01979	1.1
217.05241	8.8
218.05457	0.3
391.10678	100.0
392.07187	0.6
392.11069	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	391.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20437	0.3
59.01382	0.9
61.01023	0.3
69.03438	0.7
71.01383	0.8
71.12760	0.5
72.99303	0.4
73.02953	0.8
83.01428	0.3
83.05041	0.5
85.02950	0.7
93.03461	4.1
98.21898	0.4
99.04540	1.7
109.02937	0.5
111.00887	4.5
111.04523	1.8
113.02453	1.3
125.02425	0.9
129.01971	0.4
137.02469	1.4
138.48985	0.3
141.00200	0.4
143.03500	1.4
143.04523	0.3
145.03021	0.3
155.03571	0.4
166.02715	0.3
169.01439	1.5
173.02382	0.4
173.04617	2.4
173.38979	0.3
181.04973	0.6
181.63148	0.3
191.05580	0.8
199.04208	3.5
207.71078	0.4
216.05730	0.4
217.05254	7.2
239.70070	0.4
257.00937	0.5
275.01901	0.9
298.01425	0.4
300.99963	1.7
391.10580	100.0
391.53497	0.7
392.10947	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	391.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00557	1.0
57.03448	1.8
59.01382	1.8
60.07772	1.0
62.05884	1.0
62.30605	1.0
65.00316	2.8
71.28019	1.2
73.67630	1.1
78.68017	1.1
79.63487	0.9
85.02946	2.5
85.06589	2.2
87.04491	3.0
95.05018	1.2
97.28757	0.9
99.08140	4.2
107.05067	1.3
109.02923	1.9
109.06571	1.7
111.00901	1.1
111.04527	31.1
112.04810	0.9
113.05984	1.2
123.04482	1.1
123.08108	2.4
124.01677	1.7
125.02414	1.7
125.06063	1.2
127.07577	1.3
133.06606	6.1
135.04550	4.8
137.02434	1.4
137.06055	1.3
139.04018	2.7
149.06067	2.0
151.03981	3.1
153.05576	1.5
155.07161	4.7
162.03264	1.4
165.01923	1.3
165.05554	8.3
165.09184	2.5
166.02704	4.4
169.05040	1.2
177.05551	7.9
177.12721	1.3
177.44116	1.1
179.03554	6.4
179.07175	9.2
179.10733	2.5
181.05092	9.9
181.08725	5.8
183.06602	3.2
192.04314	1.2
193.05083	1.8
193.08809	1.1
195.06665	7.6
201.12723	1.2
205.05170	1.0
206.02190	6.4
208.07443	7.9
209.08179	9.0
212.06911	5.5
220.07388	1.7
221.04564	100.0
221.07753	8.7
222.04836	6.5
222.08879	4.5
223.09756	8.3
225.07590	1.1
233.04500	1.5
233.08162	1.3
234.05576	1.3
235.06128	1.4
235.09720	5.5
236.06845	3.1
237.07646	1.5
248.06750	1.5
261.07693	5.6
273.46539	1.0
275.09085	2.5
277.10739	1.7
303.12350	1.2
347.14996	25.3
347.18387	1.0
348.15289	3.2
363.18063	2.7
373.16483	2.1
385.31982	1.2
391.17535	64.5
391.21375	8.1
392.17761	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	391.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	17.7
69.24657	7.0
69.40037	1.5
71.01381	3.7
73.02927	1.3
74.99088	3.6
80.05379	1.5
80.33641	1.4
85.02977	2.3
87.00885	2.3
87.04536	3.4
87.92966	1.1
89.02460	2.0
93.03464	4.4
94.32296	1.2
95.01412	1.4
96.85979	1.2
101.02460	3.6
105.03542	1.6
108.02186	2.8
109.02957	1.5
109.34795	1.1
113.02503	1.2
116.92957	1.2
119.01684	3.0
119.05025	2.5
121.02994	7.3
122.03754	11.5
123.00873	3.9
123.04517	8.9
124.01699	4.3
125.02479	6.3
133.03036	2.7
134.03804	1.5
135.04570	6.0
136.01698	1.9
136.05299	8.5
136.99162	3.0
137.02473	3.0
138.03239	1.7
139.04019	2.8
149.02454	22.4
150.03238	100.0
151.04036	23.2
152.01164	3.8
153.05576	1.5
155.10791	9.5
163.04083	2.4
164.04831	4.9
165.05573	89.7
166.02742	1.9
166.06009	6.2
167.03497	4.1
169.01437	7.1
175.00443	1.4
180.04303	6.9
181.05104	11.7
181.08734	5.1
193.04994	2.5
194.12357	1.4
195.06630	76.5
196.07039	2.6
199.09756	11.2
201.01891	1.3
209.04462	3.3
211.13426	1.8
223.06161	2.5
229.01355	1.5
241.10953	3.6
281.01266	1.2
282.01404	1.3
300.99951	5.6
301.12991	1.7
303.16354	2.3
311.09259	4.8
317.04663	2.2
321.09839	1.1
329.04318	1.5
343.11810	20.1
344.12079	3.1
345.04022	15.1
346.04761	1.6
347.05737	2.5
373.03549	5.3
391.04541	10.0
391.14008	10.1
391.18530	6.5
391.27008	5.2
392.14389	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54846	0.6
54.45508	0.6
55.01856	0.7
57.03445	2.3
59.01382	32.2
65.00305	1.3
65.83568	0.6
71.01373	2.4
73.02965	5.3
74.99078	1.5
83.01405	1.1
85.02954	1.1
87.00887	4.0
94.36549	0.6
101.02415	1.0
107.01401	2.1
108.02215	1.0
109.02942	1.0
125.02461	0.7
132.34808	0.6
136.99176	0.6
137.02470	1.4
137.09727	1.0
139.11301	25.6
140.11641	0.9
145.02957	1.9
147.03012	1.2
148.71823	0.7
150.12547	0.7
151.00381	4.1
161.06133	0.9
162.33849	0.6
163.06296	0.6
163.11343	1.1
165.09184	1.3
181.12363	14.3
183.10280	29.6
184.10564	1.2
185.06093	1.6
199.13400	8.8
225.11322	7.3
229.05067	18.2
230.05382	1.2
243.12384	100.0
244.12746	5.9
281.06775	0.7
292.58395	0.6
391.10455	3.2
391.15839	20.1
392.16583	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	49.1
59.01384	100.0
59.56541	0.7
65.00308	1.0
68.45923	0.9
69.03421	0.9
69.08257	0.7
69.14251	4.9
71.01389	12.5
72.99313	1.7
73.02957	4.6
74.52995	0.9
74.99117	0.9
78.08713	1.2
81.03437	1.4
82.26679	0.9
83.01391	3.7
85.02972	3.0
89.02467	11.1
95.01411	0.9
99.04525	34.6
101.02444	16.1
108.17062	0.9
109.02956	1.0
113.02472	5.8
119.03508	3.9
120.99671	1.3
121.02956	1.0
123.00870	0.9
123.04552	2.4
125.02458	12.0
126.02866	0.8
139.42264	0.8
143.03503	1.3
149.03526	0.9
150.03233	1.6
151.04027	1.2
161.04543	4.5
166.99850	1.0
179.05638	3.2
193.05104	1.0
193.36891	0.8
229.05109	1.3
247.11858	2.9
251.84680	1.0
252.44084	0.9
271.06149	5.5
301.07309	1.4
331.17630	6.3
364.85425	0.8
365.65686	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78691	0.6
57.03437	0.9
59.01380	4.4
59.28529	0.5
64.63998	0.5
81.03477	1.0
83.01411	0.9
85.02953	9.2
85.06581	1.4
87.04505	1.4
95.05045	3.6
97.02958	1.7
98.22609	1.6
99.37568	0.6
109.02962	3.5
109.06527	0.7
111.04529	15.4
111.08189	1.4
113.02444	1.6
113.06097	3.2
121.02969	1.3
123.00944	0.7
123.04549	1.7
123.08150	2.6
125.02466	6.0
135.08147	0.8
137.02414	0.8
137.09688	0.7
139.04015	1.1
139.07628	2.0
149.02434	1.0
149.09714	1.4
150.03247	1.2
151.00359	1.0
151.03973	2.5
151.07649	1.5
152.78952	0.6
155.07162	3.1
158.12646	0.5
161.09789	0.6
163.11365	1.4
165.05536	1.0
165.09177	1.8
166.02701	2.7
167.03426	1.5
167.07101	0.8
177.01912	4.4
177.05536	4.3
177.09143	1.2
178.06328	1.6
179.07178	7.0
179.10663	0.8
180.04185	0.8
180.07494	0.9
181.05066	3.0
181.08653	1.5
182.05467	0.7
183.06630	30.3
184.06941	1.0
193.04913	0.8
193.08737	4.9
194.05843	1.4
195.06638	26.0
196.06894	1.5
198.05133	0.8
203.07117	1.3
204.04237	0.8
205.05075	1.5
207.06494	0.6
209.08177	3.1
214.04794	0.8
219.06479	0.8
220.07422	7.2
221.08195	26.8
222.08754	3.9
223.06116	0.7
223.09705	2.7
224.06854	0.7
228.77130	0.8
235.09813	1.1
237.07686	11.5
238.08159	1.5
248.06828	2.1
276.78314	0.7
279.12378	2.3
304.13031	0.6
331.15549	2.4
331.62549	0.8
342.83856	0.6
347.18613	1.5
373.16574	4.8
374.17032	0.7
391.17554	100.0
392.17862	12.2
392.22232	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62599	0.6
57.03443	1.7
59.01387	7.5
67.01888	0.9
67.05518	1.0
68.99830	0.9
69.02254	5.7
70.75736	0.6
71.01383	2.8
72.85439	0.6
73.02959	1.5
75.00882	0.8
75.04141	0.6
81.03474	1.3
83.01391	2.3
85.02957	4.1
85.06556	0.7
87.00899	0.7
87.04523	2.2
89.02434	0.8
95.01382	1.1
95.05057	0.7
97.06626	0.7
99.00869	0.8
101.02465	1.0
107.05020	1.2
108.02172	1.3
109.02977	2.1
109.06598	4.4
111.00884	6.3
111.04533	43.9
111.08226	0.7
112.04887	1.3
113.02458	1.6
113.06111	0.8
118.04280	0.7
119.05045	1.2
121.27843	0.6
123.04546	2.1
123.08163	1.2
124.01672	1.2
125.02455	1.9
125.06102	1.0
126.38606	0.7
133.06595	0.8
133.13091	0.6
135.04524	0.8
137.02461	1.8
137.06093	3.2
137.09859	0.7
139.04012	1.1
141.09250	2.6
149.02478	0.6
149.06032	1.0
149.09773	1.1
151.00351	1.0
151.04010	1.1
151.07643	2.4
153.01918	1.4
153.05594	0.9
155.07112	1.3
161.04572	0.6
161.09673	0.7
163.04021	1.1
164.04774	0.9
165.05577	3.8
169.01468	0.7
171.08229	0.8
177.05606	1.6
179.07137	13.7
179.08594	1.1
181.05096	4.8
181.08723	0.7
182.05856	3.8
183.06583	1.4
193.05058	1.2
193.08662	1.2
195.02878	0.7
195.06648	4.8
196.07315	1.3
197.08238	3.9
207.03006	1.0
208.07449	3.4
209.04599	2.8
209.08183	7.4
210.08524	0.7
212.06958	2.0
215.07033	0.7
221.08527	0.6
223.06204	1.3
229.08725	1.8
231.10301	1.9
233.08206	9.3
247.09819	0.7
251.12817	0.9
252.06454	1.2
261.11310	1.4
279.12366	1.4
299.38611	0.6
307.11948	1.1
313.14529	1.1
329.17673	1.5
331.15546	2.6
347.18643	1.8
349.16736	3.3
363.18143	1.7
374.26697	0.7
391.17670	100.0
391.26376	11.3
392.18042	12.4
392.27298	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33537	0.5
50.52420	0.6
57.03441	1.8
58.99014	0.5
59.01373	1.1
62.69165	0.5
65.03970	0.5
68.99805	1.1
69.03411	4.8
71.05020	0.8
79.01893	0.8
81.03448	1.0
83.05037	1.7
85.02980	0.6
87.04538	3.6
92.06796	0.5
95.01425	0.7
95.05039	1.9
96.96017	4.4
97.02933	0.6
99.08164	3.1
101.06087	1.0
107.05041	0.5
109.02950	1.4
109.06570	0.9
111.00935	0.9
111.04529	24.8
112.04841	0.7
113.06087	0.7
121.06631	0.8
123.00848	0.7
123.08191	1.2
124.01651	2.2
125.02512	0.8
125.06129	1.2
137.02458	1.0
137.06079	0.7
137.09720	0.7
138.03160	0.6
139.04001	2.6
147.08138	1.6
149.02301	0.7
151.00278	0.5
151.03993	1.5
155.07118	1.4
157.08722	0.5
163.07671	0.8
165.01872	0.8
165.05582	17.0
165.09187	3.5
166.02696	0.9
166.05930	0.8
167.03479	1.7
169.05054	1.8
172.40013	0.5
176.68068	0.5
177.05615	0.6
177.09099	0.6
179.07141	18.8
179.10709	1.1
180.04346	0.7
180.07596	1.3
181.05067	18.0
181.08720	1.4
182.05348	0.7
183.02997	1.5
191.07170	0.8
192.15353	0.5
193.05070	4.6
193.08682	0.9
195.02968	0.6
195.06610	2.3
196.03780	1.9
207.06754	0.6
208.07423	17.5
209.08188	16.6
210.08519	1.0
212.06924	10.4
221.08224	4.5
223.09744	3.6
233.07986	0.5
235.06081	0.6
235.09798	1.5
235.13387	0.7
236.06885	5.5
236.10318	0.7
237.07471	1.0
238.16113	0.5
240.06453	1.4
248.06810	1.5
250.91081	0.6
261.07715	1.1
261.11176	0.8
265.14429	1.4
296.06750	2.5
311.09134	2.1
321.13443	0.9
347.18747	0.7
348.39618	0.5
363.18234	3.1
379.14157	0.6
391.17606	100.0
392.17902	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	391.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23333	0.3
71.08280	0.3
89.13480	0.3
93.03482	0.8
107.28183	0.2
109.02952	0.3
111.02157	0.3
121.02966	21.4
122.03308	0.7
123.04453	0.3
135.04555	1.9
137.02478	0.5
159.26398	0.3
166.06364	100.0
167.06696	5.0
179.03525	0.5
181.08716	85.2
182.09045	4.4
194.05859	0.3
209.08183	0.7
215.10866	0.3
229.11552	0.3
324.24347	0.3
391.17542	0.5
391.26901	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59785	0.4
53.33476	0.3
56.72193	0.4
57.03452	2.6
59.01375	1.2
67.59490	0.4
69.03468	1.4
70.94443	0.8
81.84633	0.3
83.01400	0.7
83.05042	0.7
85.02950	3.0
85.39919	0.4
85.92467	0.4
87.04536	1.5
90.17117	0.4
93.03480	1.3
95.01392	3.0
96.02190	1.0
109.02971	2.0
109.06622	0.4
111.00903	1.3
111.04533	6.5
111.08187	0.4
113.02460	14.7
113.09739	13.3
114.02791	0.5
114.10084	0.5
123.00880	0.4
123.74067	0.4
125.02515	0.5
125.06084	0.5
127.07675	0.6
137.02457	5.6
155.03516	57.3
156.03821	1.9
164.04825	0.6
166.06371	1.3
167.07167	1.5
172.97826	0.4
179.07141	3.5
181.08716	100.0
182.09039	5.2
183.06723	0.7
195.06628	0.7
197.08122	2.6
207.71758	0.4
209.08177	0.6
221.11874	0.4
271.36832	0.5
329.14362	0.5
347.22409	0.7
391.16919	4.2
391.21982	4.4
391.26175	0.8
392.17679	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18357	3.6
53.04086	3.3
54.24298	3.1
56.45181	3.8
59.01376	6.4
60.49724	3.2
63.44487	3.6
73.32485	3.6
96.96017	44.4
97.82838	4.0
98.22553	8.7
109.02969	5.0
135.04546	5.3
137.02448	58.5
138.02719	4.2
149.02463	18.9
164.04782	41.8
166.06369	8.1
167.07150	6.5
179.07166	31.7
181.05081	37.4
182.05405	5.4
184.15974	3.7
196.07411	75.0
197.07770	5.5
211.09787	100.0
212.10017	5.6
223.33836	4.6
303.16489	3.8
391.18344	21.6
391.25073	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90215	0.3
59.01374	0.9
67.96212	0.3
70.61604	0.7
70.61929	0.4
78.13457	0.4
79.95747	0.7
82.31369	0.3
95.01376	0.7
96.96017	28.4
97.02959	0.8
123.04610	0.5
137.02486	0.5
151.03981	2.8
153.05579	4.2
166.06305	0.5
181.05077	75.0
182.05412	3.8
196.07414	67.5
197.07799	3.4
211.09764	100.0
212.10121	5.0
227.03639	0.6
287.20148	0.6
303.23325	1.6
315.28806	0.5
347.22293	2.3
358.23526	0.4
391.04648	0.8
391.17612	11.8
391.25500	0.5
392.17810	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.18
Annotation	Unknow
Peak:m/z	Relative Intensity
60.48043	0.3
62.17517	0.3
62.39398	0.3
65.57029	0.3
70.03266	1.0
70.03622	0.5
70.61008	0.4
72.84612	0.3
73.45950	0.3
79.95760	2.2
96.96019	100.0
109.02952	0.6
125.02444	0.5
149.02460	0.6
151.03990	0.6
153.05560	0.6
164.04852	1.7
167.81421	0.3
169.01419	0.4
171.19800	0.4
179.07124	1.6
181.05075	9.7
182.05380	0.4
183.92027	0.3
196.07439	7.8
197.07832	0.6
204.64607	0.3
211.09758	11.7
212.10118	0.7
250.15216	0.4
301.00049	0.5
305.10165	0.4
347.22137	0.5
391.17929	37.2
392.18219	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	391.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47610	0.6
59.01382	100.0
60.01722	1.1
64.19180	0.6
64.30647	0.7
68.98365	0.7
69.14925	4.5
71.01382	5.8
73.02955	1.9
83.78468	0.7
85.02966	2.2
89.02483	2.1
95.01368	0.7
101.02428	4.2
108.17000	0.7
111.74290	0.7
113.02471	2.0
119.03559	0.9
144.52808	0.7
151.07742	1.6
158.59499	0.7
161.04599	3.6
193.08690	8.4
331.17615	1.1
349.18933	1.0
355.14075	0.9
391.19861	3.4
391.27216	4.4
392.27798	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56815	0.8
53.65042	0.7
58.46232	0.7
59.01384	100.0
59.15901	0.7
61.53891	0.8
63.98611	0.8
68.99817	0.9
71.01387	6.4
71.28316	1.0
73.02958	1.7
74.99116	1.2
83.01373	0.9
85.02966	2.6
87.04534	1.0
89.02454	1.4
93.03501	1.2
95.01408	2.6
101.02441	5.4
105.27361	0.8
107.01402	3.3
108.02205	3.2
111.00878	1.2
113.02477	2.8
119.03526	1.1
120.99698	1.3
121.02972	1.5
123.00889	5.3
123.04523	2.9
125.02464	10.9
133.02911	1.6
134.03752	3.1
135.98380	1.3
136.99075	1.0
137.02472	3.3
138.03343	0.9
139.00406	1.5
140.01268	1.0
149.02452	2.1
149.06137	3.4
150.03212	4.5
151.00449	1.8
151.03987	2.6
153.01892	1.5
159.02946	1.4
161.02505	1.6
161.04550	5.9
162.03291	1.2
163.00505	0.9
163.03951	1.5
165.05545	3.0
166.99902	1.9
167.03496	1.9
168.00688	1.1
168.67328	0.9
169.01437	12.2
170.01845	0.9
177.01996	1.3
178.02704	3.0
179.03496	2.1
179.07176	1.1
181.04935	0.9
181.08662	1.0
183.79808	1.0
191.03529	1.5
193.05063	5.2
194.05589	0.9
195.06616	3.4
197.63528	0.8
201.02034	1.4
203.03514	1.2
207.82870	0.9
211.02483	1.4
213.01797	0.8
229.01466	2.7
231.02887	1.1
245.00929	1.1
247.02509	1.3
249.04134	1.0
257.00955	1.2
259.02429	0.8
271.04663	2.7
273.00229	0.9
275.01990	4.5
299.99228	1.2
300.99942	10.4
302.00189	1.8
303.12833	1.0
316.03421	4.5
331.17639	10.1
332.18155	0.9
343.08105	0.9
343.11758	4.3
377.53949	1.0
391.04303	3.6
391.14120	6.9
391.18555	4.6
391.53326	2.2
392.13995	1.2
410.74054	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2128
Annotation	(-)-12,12'-Methylenedicytisine
Peak:m/z	Relative Intensity
51.46899	0.3
55.01876	0.7
57.03453	1.3
57.03695	0.2
60.68211	0.2
65.15549	0.2
68.99811	1.2
69.03461	1.3
71.01387	0.6
71.05008	0.6
71.28135	0.3
79.01916	0.3
81.07102	0.2
83.05015	0.6
85.02957	5.1
95.05027	0.9
97.06610	0.6
99.00890	5.1
99.04525	0.6
99.08164	1.5
101.06099	2.4
105.59237	0.3
107.05038	0.3
109.02959	1.0
109.06602	2.4
111.04529	0.5
111.08161	1.2
122.03736	0.7
123.04499	0.9
123.08169	0.5
124.01681	0.4
125.02476	1.3
125.06097	15.5
127.07639	1.5
129.01964	1.3
137.02448	0.8
137.09723	0.7
138.03227	0.7
139.00372	0.3
139.04001	0.4
139.07613	1.6
149.09756	0.3
151.03979	0.4
151.44296	0.2
153.01904	1.5
154.02748	3.4
155.07146	3.6
163.11214	0.3
165.01889	0.4
166.02728	3.4
167.03497	2.6
170.02141	0.6
173.66893	0.3
177.12889	0.5
179.10776	0.8
180.00677	2.7
181.01469	0.6
182.02226	14.8
183.06636	27.1
184.07019	1.7
191.07137	0.3
191.14429	0.3
193.08719	1.6
193.15927	0.3
195.03029	1.8
195.06625	1.2
196.03732	0.9
196.26164	0.3
203.14531	1.3
205.12375	1.7
207.06525	0.3
207.10272	2.9
207.13918	5.3
208.14323	0.4
209.08195	8.6
210.08534	0.4
219.13951	0.6
220.07333	0.4
221.08200	1.4
221.15428	1.2
222.09009	2.0
223.06140	1.2
223.09758	1.6
230.37236	0.3
233.68857	0.3
235.09770	1.2
237.07689	5.9
238.08476	34.1
239.08806	2.1
251.13158	0.3
265.14435	1.1
271.13351	0.3
307.15552	0.7
333.13858	0.4
333.20718	0.5
345.20810	0.6
363.21753	1.5
373.20001	1.6
391.21292	100.0
392.21609	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	391.2126
Annotation	(-)-12,12'-Methylenedicytisine
Peak:m/z	Relative Intensity
51.57011	1.0
54.54916	0.9
57.03436	3.3
69.03466	1.0
69.14210	7.5
71.01380	1.6
71.05009	1.9
72.52316	1.1
79.01867	1.4
79.95737	2.1
81.03455	1.8
83.01373	1.0
83.05039	3.5
85.02943	1.8
85.06573	2.2
87.04527	1.9
95.05056	3.0
96.96013	5.6
97.02955	2.6
99.08138	2.0
107.05047	1.2
109.06610	2.4
110.36564	1.1
111.04535	8.3
113.06085	1.9
123.04553	2.0
123.08154	6.7
125.06086	2.4
135.08153	2.4
136.05325	4.1
137.02452	2.8
137.06104	1.3
137.09694	1.9
138.03235	9.4
139.04007	6.4
150.06885	1.0
151.03981	2.5
153.73209	1.1
155.03532	1.4
155.07156	3.3
160.50595	1.0
163.07664	1.4
165.01968	6.3
165.09229	11.6
166.02730	49.9
167.03177	2.1
167.07205	1.5
176.79243	1.2
177.01944	1.4
177.05611	1.3
179.07164	3.5
179.10776	7.6
180.04210	1.5
181.05212	2.6
181.08728	5.7
183.06689	1.8
191.07103	1.6
193.08693	2.4
195.06583	3.1
197.08142	1.2
205.08685	2.2
207.06587	3.3
207.10283	2.5
208.07454	2.2
209.08202	53.6
210.08510	4.7
211.13515	1.1
219.06638	1.7
221.08208	15.8
222.08980	41.3
223.09576	3.8
235.09717	1.2
248.06891	4.5
249.07639	2.2
261.07712	1.6
263.09247	1.0
282.44257	1.1
289.14511	1.8
307.15555	1.8
333.13376	1.8
347.14740	1.2
347.18622	2.2
347.22409	1.7
361.16281	2.4
373.16397	5.8
391.17429	34.1
391.21347	100.0
391.29297	4.7
392.17728	4.1
392.22015	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	391.2128
Annotation	(-)-12,12'-Methylenedicytisine
Peak:m/z	Relative Intensity
52.21289	0.6
57.03446	5.7
69.18407	1.5
69.18824	3.6
71.05009	2.1
79.01887	2.2
95.05021	2.7
97.02952	2.2
97.06577	1.0
98.21771	1.3
99.00894	2.4
99.08128	1.2
101.06107	1.1
103.02619	0.7
109.06625	2.5
111.52131	0.6
113.78452	0.6
121.06570	0.7
123.08177	0.9
125.06097	6.9
135.08127	2.0
136.05304	1.4
137.06102	0.7
137.09746	6.3
139.04027	10.2
146.33913	0.6
149.06184	0.8
149.09714	1.4
151.04021	0.8
151.07637	1.8
161.09814	0.9
163.11313	1.6
164.08372	0.8
165.01926	1.0
166.02689	1.9
179.07146	1.6
179.10791	12.8
180.04253	1.0
183.06622	9.5
183.08110	1.1
192.04242	0.7
205.08728	1.8
205.12332	1.6
206.05696	0.8
207.10213	1.1
207.13831	3.7
222.08835	0.8
223.09764	53.3
224.10124	2.8
231.10277	1.2
231.13882	1.5
233.08218	2.8
235.09724	1.9
236.09929	0.8
247.09720	2.7
249.11307	5.2
275.09296	0.7
275.12897	4.3
287.16656	1.3
289.14719	0.8
289.18121	2.3
309.49930	0.6
315.16037	7.4
316.16428	1.0
333.17081	45.2
334.17401	5.4
346.89600	0.6
373.20148	5.9
374.20596	0.9
391.21280	100.0
392.21591	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	391.2133
Annotation	(-)-12,12'-Methylenedicytisine
Peak:m/z	Relative Intensity
50.26882	1.0
57.03451	13.4
69.05396	2.1
69.05812	6.0
70.71888	0.7
71.05016	3.4
73.78844	0.7
79.01898	3.4
81.03471	1.7
93.03452	1.0
93.07080	0.9
95.05043	5.1
97.02954	3.4
97.06560	1.0
99.08165	1.7
109.03024	0.9
109.06610	2.5
111.04536	1.1
122.03812	0.9
123.08165	1.8
125.02493	1.0
125.06100	14.1
135.04514	1.2
135.08194	2.6
135.85643	1.0
136.05336	1.7
137.06151	0.9
137.09746	11.5
138.03264	1.5
139.03050	1.6
139.04025	19.2
140.04329	1.3
147.08197	1.6
149.09723	1.5
151.04047	1.5
151.07657	3.2
155.10788	2.8
163.11285	1.8
164.08405	0.8
165.01930	2.3
166.02724	2.3
167.03537	2.4
177.05550	0.9
179.07143	1.8
179.10796	19.0
180.04245	1.9
180.11095	0.8
188.78310	0.9
191.03545	1.4
191.07143	1.2
193.12683	0.8
205.05127	1.2
205.08731	1.7
207.10313	3.0
219.06436	0.9
219.13890	1.3
222.09016	1.0
223.09773	84.4
224.10121	6.4
229.08566	0.9
231.10248	2.2
231.13927	2.3
233.08180	3.7
235.09781	3.7
245.34050	0.9
247.09831	5.6
248.10425	1.0
249.11310	8.8
257.03244	0.9
263.12726	1.3
271.17053	1.0
275.09695	1.3
275.12921	4.1
287.16690	1.6
289.18243	4.0
315.16046	9.9
316.16382	1.1
321.09402	0.9
333.17087	66.3
334.17523	8.4
373.20221	8.7
391.21313	100.0
392.21637	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	391.2492
Annotation	3beta-Malonyloxy-15-hydroxy-ent-labda-7,13E-dien
Peak:m/z	Relative Intensity
52.24395	0.8
57.03450	1.0
59.01389	1.7
69.73481	3.5
96.96000	2.1
98.49268	1.0
116.92847	1.2
129.20236	0.8
143.73615	0.9
157.31868	0.8
168.61487	0.8
195.38818	0.9
241.43359	0.8
265.21347	1.0
277.18115	0.9
286.06790	0.9
311.12827	3.1
313.21695	3.9
314.21768	1.0
318.16110	0.9
329.24835	33.8
329.28754	1.9
330.24982	3.3
331.26306	5.7
333.13568	0.9
347.25897	27.6
347.29358	1.2
348.26358	2.7
373.23672	3.5
373.27530	7.5
391.08371	2.4
391.24835	100.0
391.28799	18.6
392.24973	12.0
392.29114	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	391.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
67.58762	84.1
69.07054	76.8
71.29958	90.7
102.72809	72.7
103.93616	92.6
103.94254	73.5
116.33294	74.5
153.38443	76.6
165.68468	77.7
167.53827	79.2
213.09503	100.0
235.33916	83.6
255.23277	95.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2857
Annotation	Ursodeoxycholic acid
Peak:m/z	Relative Intensity
57.03454	8.4
59.87992	0.6
65.77074	0.6
69.09182	4.6
73.19709	0.5
77.14330	0.5
80.27898	0.6
134.78806	0.5
169.01358	0.6
173.95831	0.5
178.59108	0.7
315.23257	1.3
331.26477	1.1
333.24301	3.6
356.67972	0.6
373.27466	1.7
391.28574	100.0
392.28857	12.6
412.67361	0.6
414.71634	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	1.3
61.98835	100.0
69.13583	2.5
69.13998	2.1
71.01377	0.7
72.33115	0.7
81.03464	0.9
84.85094	0.7
93.03475	1.0
112.61711	0.7
114.32125	0.7
123.00903	1.7
123.04541	9.7
125.02454	7.3
135.04558	1.1
137.02498	3.0
153.40959	0.6
167.03510	34.3
168.03802	1.7
169.01410	6.8
179.03574	0.9
191.03510	10.7
191.05103	0.8
199.22859	0.6
209.04527	3.3
211.02614	1.0
217.09332	0.7
221.04590	1.0
265.48132	0.8
300.99936	4.6
302.00586	0.8
313.05789	0.7
316.03348	4.3
329.08780	15.0
329.12701	0.7
330.09503	0.7
339.58408	0.9
392.03964	1.1
392.14655	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40294	0.8
59.01383	16.6
61.98835	100.0
69.03474	1.0
70.63546	1.0
70.63873	1.9
71.01392	8.4
71.49722	1.0
73.02977	2.2
77.11829	0.9
79.95737	1.3
81.34304	0.8
85.02954	3.2
86.26924	0.8
87.00894	1.5
89.02448	5.6
95.01391	2.0
96.96014	15.8
99.00839	1.2
101.02446	6.3
107.01394	5.9
111.00924	1.0
113.02464	3.2
119.03521	2.2
119.05080	1.1
123.00884	5.9
123.04546	2.1
125.02461	20.7
133.02904	1.0
136.99046	1.2
137.02444	1.2
139.00380	1.4
143.03548	1.2
143.07112	0.9
151.27896	0.9
161.04506	1.6
166.99840	1.1
167.03493	8.2
168.00545	1.0
169.01436	25.3
171.10342	2.0
179.05692	1.2
185.02313	1.0
195.06474	1.2
201.01973	1.3
203.03616	1.7
211.02512	1.2
211.16391	1.0
214.04662	0.9
225.00755	9.6
229.01425	1.5
231.02902	1.4
238.70651	1.0
245.00957	1.5
249.04124	1.7
257.00934	1.7
258.01569	1.2
264.96375	0.9
274.03659	0.8
275.01965	6.4
283.99472	1.6
299.99103	1.9
300.99896	22.7
302.00214	5.5
303.00479	0.9
311.66437	0.9
313.05643	1.4
316.03250	9.4
316.53653	2.1
317.03381	0.9
329.08627	1.1
333.15439	1.7
349.18643	7.5
391.53571	2.3
392.03857	4.1
392.53796	3.7
393.04883	6.5
393.12744	1.2
393.17719	3.5
393.22073	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	16.7
63.42789	2.8
65.63274	2.9
68.16792	2.6
69.30074	15.0
70.25215	2.9
72.94920	2.9
91.99364	2.8
96.96020	100.0
98.21734	3.3
105.99612	2.9
137.28093	2.5
140.37054	2.8
178.34758	2.7
260.10745	2.8
313.23618	3.0
334.94604	3.3
393.19406	63.2
393.26819	5.1
417.00012	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	393.0292
Annotation	Kaempferol 7,4'-dimethyl ether 3-O-sulfate
Peak:m/z	Relative Intensity
96.95984	1.2
109.02961	1.2
125.02426	2.6
125.56884	1.1
126.70886	1.0
133.02977	2.3
146.26353	0.9
169.01437	2.4
179.03496	2.9
179.53888	1.0
187.07503	1.0
194.05925	1.4
209.08263	1.2
211.03998	30.2
212.04396	2.1
239.03569	11.3
241.05081	2.0
255.03090	7.5
283.02493	29.0
284.02856	2.7
298.04840	92.9
299.05197	9.5
313.07199	100.0
314.07550	8.8
393.02795	19.9
393.14819	1.2
393.23190	1.5
394.03192	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	393.0467
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07762	1.9
57.03447	3.3
59.01382	48.1
60.89592	1.9
69.23982	4.8
69.24386	11.1
69.58832	2.0
71.01386	27.8
72.99297	3.9
73.02951	11.5
80.36279	2.4
83.01408	2.3
83.49281	2.5
84.28526	2.1
85.02942	10.0
86.78194	2.2
87.00864	4.4
87.54234	1.9
89.02451	24.0
95.01364	5.2
96.54300	1.9
97.02911	1.9
97.06586	2.3
98.22534	4.9
99.04533	3.8
99.92587	14.6
101.02444	41.2
103.42072	2.0
103.60683	2.3
107.01355	5.5
108.02184	3.0
113.02462	13.3
115.03979	2.5
115.92068	13.2
116.92866	7.3
119.03539	10.1
123.00898	5.5
123.04494	2.4
125.02462	18.8
126.02776	3.9
131.01392	2.5
132.02162	3.0
136.01643	2.7
143.01637	3.9
143.05119	2.3
143.07130	7.2
143.58411	2.4
145.02945	3.2
148.01685	2.1
151.04021	6.4
159.02930	2.1
160.01639	9.7
161.04498	4.0
163.00377	9.8
169.01408	21.6
170.01750	5.0
173.02422	3.4
175.03987	6.4
176.01117	3.0
178.02684	6.1
179.05617	2.4
180.36201	2.2
187.00362	16.2
188.01112	5.3
189.01952	4.0
193.04988	3.8
201.01772	2.9
203.03470	6.2
204.00653	3.2
213.11404	4.6
214.99905	27.0
216.00542	12.8
217.01375	2.9
217.98515	3.5
219.02966	13.5
229.01401	4.6
230.02203	27.4
231.02881	8.9
231.08624	3.5
231.15924	2.6
242.99477	3.4
245.04536	58.0
246.04941	4.4
247.02527	19.5
254.59880	2.0
256.07458	4.4
258.01617	4.7
259.01984	2.5
261.07629	7.2
271.10037	5.0
273.03986	4.2
274.01178	5.5
275.01971	100.0
276.02261	10.1
289.03586	19.8
290.04309	37.4
300.99756	13.5
302.00244	6.9
303.00232	2.4
305.06586	15.1
316.03049	3.1
316.53537	10.0
317.03546	11.3
319.00928	2.8
334.03275	8.6
349.05698	8.5
393.04541	7.9
393.13025	4.3
393.17645	17.2
393.21603	6.9
394.17468	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	393.05
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.4
65.81446	0.5
68.06918	0.3
71.01654	0.5
72.99335	0.5
74.28813	0.3
79.95736	7.0
80.96523	4.7
83.08157	0.4
85.02956	2.1
89.66331	0.4
96.96017	100.0
97.95909	0.4
108.02184	0.6
109.02964	0.4
127.04009	1.3
133.95837	0.4
136.99167	5.8
138.97089	6.9
152.01183	1.6
164.98650	3.4
167.00211	0.4
167.03473	2.1
206.99811	0.9
218.86856	0.4
225.00749	56.5
226.01102	1.7
349.21191	0.4
393.04987	20.5
394.05402	1.5
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
55.01878	1.8
57.03451	3.4
59.01385	2.8
60.52224	0.4
61.98819	0.5
68.99817	0.6
69.03447	0.6
71.28062	0.4
79.01894	2.7
81.03463	0.8
83.01417	0.9
85.02955	5.0
85.06580	2.6
87.04517	2.0
93.03487	0.6
95.01406	3.3
95.05044	4.6
96.02199	0.9
97.02961	1.8
97.06609	2.1
103.77968	0.5
107.05080	0.6
109.02962	2.1
109.06603	1.9
111.00865	1.4
111.04529	20.8
111.08162	2.7
112.04871	1.0
113.02464	10.2
113.06082	2.0
121.02895	0.7
121.06602	1.6
122.03731	0.6
123.00865	1.3
123.04525	1.4
123.08154	2.4
124.01653	1.3
125.02457	6.9
125.06113	1.0
127.00381	0.8
127.07611	0.6
133.06587	0.7
135.04524	0.6
135.08153	1.0
137.02446	1.7
137.06065	0.9
137.09732	1.4
138.03223	1.3
139.00337	0.5
139.07668	4.3
141.02025	3.0
141.05618	0.8
149.06090	0.7
149.09685	0.5
150.03226	1.7
151.00372	3.9
151.04004	1.7
151.07645	1.8
153.01996	1.0
153.05598	0.8
153.09203	1.3
155.07133	1.7
155.10757	0.5
163.04060	0.6
163.07678	1.4
164.01147	1.0
165.05568	6.9
165.09265	0.8
166.06372	4.5
167.03569	0.7
167.07166	3.0
169.01509	0.8
169.05090	1.3
177.01979	2.2
177.05563	5.1
178.00449	0.4
178.06274	1.8
178.99863	0.5
179.03638	1.1
179.07133	5.3
180.04262	0.5
181.05099	4.1
181.08704	2.8
183.06639	23.9
184.03783	0.5
184.06935	0.8
189.05449	0.4
191.07153	1.0
192.04367	0.8
193.05074	6.7
193.08740	3.2
194.05870	3.8
194.32848	0.4
195.06638	30.1
196.03780	0.5
196.06987	1.7
197.04568	14.2
198.05312	2.9
198.25847	0.5
205.05054	0.8
207.03036	0.8
207.06648	17.7
208.07019	1.3
209.04575	3.8
209.08139	0.9
210.05318	1.9
211.06143	19.4
212.06494	1.4
219.06578	0.9
220.07381	2.6
221.04597	6.8
221.08208	1.4
222.05325	5.5
223.06129	16.7
224.06401	1.1
225.04196	0.9
225.07683	16.3
226.08076	0.9
237.07680	7.2
238.08089	0.6
239.05617	10.0
240.06381	13.9
241.06798	0.8
263.12949	1.1
286.53650	0.5
305.09967	0.5
317.24637	0.6
333.17032	4.4
349.20505	0.5
351.18216	1.4
375.14395	4.9
375.18234	5.3
376.18753	0.6
393.19220	100.0
394.19540	11.3
414.78043	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95069	1.8
51.23430	2.0
55.01880	9.1
57.03439	2.2
59.01376	6.8
68.99818	3.6
69.03419	2.3
69.52232	6.5
69.52633	3.7
71.05014	3.9
78.01147	2.2
79.01887	13.1
81.03472	4.2
83.01370	2.9
85.02975	6.8
85.06626	2.7
87.04539	2.8
95.01397	3.8
95.05016	9.7
97.02956	4.1
97.06594	4.3
98.21790	4.0
107.01395	2.3
107.05077	3.5
109.02960	6.9
109.06586	10.9
111.00914	9.4
111.04533	60.4
111.08160	7.6
112.04897	2.4
113.06124	5.0
123.00893	6.6
123.08171	8.6
124.01667	4.3
125.02474	12.5
125.06119	3.9
127.00378	4.7
135.04565	2.9
135.08218	3.2
137.02386	4.1
137.06113	2.5
138.03284	2.3
139.03958	1.9
139.07683	4.4
141.01935	17.1
143.03548	11.2
151.00340	14.9
151.04099	4.1
153.01932	3.7
153.05672	4.3
153.09196	3.2
155.07195	2.7
165.05615	3.7
166.02702	2.3
166.06349	8.5
167.07132	11.4
169.01434	5.6
169.05057	5.1
177.05597	13.6
178.99911	3.1
179.03510	4.5
179.07146	13.3
180.04285	3.3
181.05074	15.7
181.08603	3.4
182.02216	3.3
183.06654	11.1
184.03816	2.8
193.05081	33.9
194.05844	10.5
195.06627	88.2
196.07053	5.8
197.04558	74.6
197.06384	2.7
198.05310	10.2
205.05032	4.3
207.03058	4.5
207.06624	50.9
207.08508	3.7
208.07050	4.4
209.04597	18.7
209.08119	2.9
210.05328	7.4
211.06131	100.0
212.06444	5.2
221.04568	38.5
221.08154	3.9
222.05334	26.5
223.06122	88.3
224.06519	7.3
224.94995	2.0
225.04224	3.8
225.07678	62.2
226.07980	3.1
232.75583	2.0
239.05626	67.7
240.06412	80.7
241.06793	3.0
253.07253	2.9
275.12714	3.2
299.05255	2.6
347.15140	2.8
348.51984	2.1
375.14465	34.8
375.18555	3.3
376.14682	2.3
393.15625	3.5
393.19321	38.0
394.19495	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	393.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13691	0.7
59.01379	7.1
62.96335	0.6
71.01385	2.8
73.02954	2.2
74.36724	0.6
81.03437	1.5
85.02924	1.7
89.02486	1.1
93.03477	1.4
97.02954	0.9
101.02444	2.2
106.85687	0.8
109.02956	8.5
110.02508	0.9
110.05964	0.8
111.04543	4.8
113.02433	1.4
123.08173	2.8
125.02457	3.3
137.02451	3.6
138.03241	100.0
139.04033	74.3
139.05193	1.3
139.07573	0.8
140.01160	1.0
140.04366	2.9
149.06087	2.7
155.07188	0.8
161.04532	1.1
164.73035	0.7
167.07162	14.5
168.07484	0.9
169.01419	1.8
170.02208	8.5
171.02769	0.8
179.07173	1.7
181.05034	0.8
183.06535	1.2
193.08730	1.0
198.03462	1.8
198.05342	56.0
199.06120	65.2
200.06454	3.0
219.09802	0.8
268.23279	0.7
333.13412	2.3
393.15247	19.4
393.19666	4.9
393.28751	0.9
394.15891	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	393.1557
Annotation	Queenslandon
Peak:m/z	Relative Intensity
53.69183	1.2
57.03417	1.4
59.01366	3.3
71.26137	1.5
71.28812	1.7
76.09892	1.3
85.02966	20.0
85.06588	3.7
87.00874	5.8
87.04504	2.6
99.08169	2.8
101.06070	1.9
104.53040	1.4
107.05020	2.6
109.02948	16.3
109.06581	4.6
111.04534	16.6
113.02437	4.8
113.06079	3.7
123.04515	2.1
123.08150	1.8
125.02453	11.1
125.06103	10.7
131.30870	1.4
131.38861	1.4
135.04504	3.8
137.02458	2.3
138.03212	1.6
143.03453	3.2
149.06076	1.4
150.23645	1.4
150.61546	1.2
151.07628	1.5
152.04823	1.8
153.05548	2.3
153.09094	1.6
155.03589	1.4
155.07123	5.4
162.03084	1.9
163.07655	1.9
166.02631	1.5
166.06155	1.4
169.08661	4.4
175.11214	1.7
176.04744	2.1
177.05527	2.1
177.09177	3.3
179.07144	20.3
181.08681	6.1
183.06615	8.8
191.07065	1.7
191.10748	4.4
193.08688	16.9
195.06642	15.1
195.10135	1.6
196.07199	1.4
197.08215	22.3
205.05052	1.8
205.08694	9.7
207.10202	2.9
208.07413	1.8
209.08189	11.9
211.09735	6.6
217.05130	2.9
219.06673	2.4
219.10297	13.4
221.08134	3.1
222.08922	1.3
223.06122	7.0
223.09732	10.3
225.07724	1.8
235.09729	1.6
237.07559	3.7
237.11334	13.8
247.09666	4.2
249.07735	7.6
263.09134	4.2
281.13800	1.8
287.16489	1.5
288.09756	1.6
295.51862	1.5
305.13828	2.2
322.63477	1.6
331.15500	12.6
332.15726	1.7
349.16656	1.5
369.09363	1.4
375.14465	13.3
393.15454	100.0
394.15726	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	393.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88650	0.6
59.01392	1.0
60.24454	0.6
62.50182	0.6
62.50501	0.8
69.50688	3.4
71.01363	0.6
77.16081	0.6
83.01384	5.2
87.04522	13.0
98.22544	1.3
109.02959	0.6
111.00911	0.8
123.00906	0.7
125.02472	0.9
132.24583	0.6
137.02435	1.0
159.08185	0.6
163.04021	1.0
178.02744	2.8
179.07230	1.4
183.06683	0.9
191.03506	31.2
192.03825	1.3
206.05852	100.0
207.06175	5.6
221.08202	86.4
222.08566	5.3
231.06894	0.7
246.09035	1.3
261.11380	0.7
272.06873	1.6
287.09311	2.1
305.10315	15.5
306.10590	1.6
331.15598	0.8
333.17365	0.7
351.43954	0.7
375.14465	7.8
376.14896	0.7
391.08203	0.8
393.15512	24.1
393.23099	5.3
394.15778	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	393.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02980	0.9
55.01873	7.7
57.03452	5.1
58.00582	3.8
59.01382	100.0
60.01707	1.0
69.03456	3.2
69.04449	9.7
69.47308	1.1
70.99078	1.1
71.01385	80.6
72.99303	5.1
73.02949	28.3
75.00859	1.6
81.03452	1.8
83.01391	20.5
85.02954	39.1
87.00874	6.0
89.02451	39.2
92.89758	1.1
95.01400	6.6
97.02959	3.4
99.00900	9.8
101.02445	81.0
102.66215	1.1
103.04025	5.8
107.01408	3.4
111.00912	3.2
113.02460	30.0
114.02769	1.3
115.04009	3.3
116.58373	1.1
119.03503	12.0
120.99677	1.4
123.00900	2.4
123.04459	1.4
125.02450	18.1
126.02757	2.4
131.03516	16.8
141.01952	1.1
143.03500	5.2
145.05031	1.6
149.04535	6.5
151.00293	1.5
159.03056	5.2
159.06432	1.2
161.04562	29.0
162.04926	1.3
163.06137	6.8
164.04657	1.1
165.05550	1.3
169.01447	15.7
170.01759	3.3
179.05696	2.8
195.06648	1.3
205.07166	4.0
229.07199	1.5
233.06580	2.4
241.03590	1.7
247.11867	47.4
248.12244	3.2
261.13419	50.8
262.13870	2.6
275.01956	1.5
300.99817	7.5
302.00275	5.1
316.03354	1.6
316.53528	4.9
317.03778	2.5
333.15588	1.5
333.19168	2.2
345.13400	2.6
392.54126	2.3
393.17651	58.9
394.18018	7.2
395.90201	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69551	0.6
55.01876	3.7
57.03449	1.8
58.00603	4.3
59.01382	100.0
69.03468	2.8
69.17041	1.6
69.17453	3.4
71.01387	63.8
72.01737	1.1
72.99316	4.8
73.02951	35.2
81.03461	1.0
83.01392	8.2
85.02955	24.4
86.00121	1.9
87.00883	10.3
87.04525	5.3
89.02454	45.0
90.02779	1.6
93.71922	0.6
95.01411	3.6
97.02982	3.2
99.00909	4.2
101.02452	56.8
102.02807	1.3
103.04027	20.5
107.01405	1.6
113.02456	16.5
115.04008	8.0
117.49746	0.7
119.03510	17.4
120.03918	1.0
123.00937	3.0
124.01405	0.7
125.02461	10.5
127.04055	2.2
131.03505	8.4
137.02472	2.7
138.03285	1.1
143.03514	14.2
145.05069	5.5
151.04077	1.7
159.03055	1.1
161.04588	9.9
162.03265	1.3
163.06140	35.7
166.99849	1.0
169.01440	7.0
170.01828	1.7
179.05592	4.5
180.04291	21.6
180.05762	1.3
181.04747	0.8
182.39972	0.7
195.06651	24.4
196.07021	1.3
205.07187	22.7
206.07689	1.0
207.31447	0.7
229.01563	0.9
231.04335	18.9
247.11870	14.6
265.09482	1.9
300.99890	6.1
302.00415	4.5
303.00714	1.6
313.05609	1.0
316.53577	2.5
317.03726	1.3
357.11829	5.1
392.54367	1.9
393.09818	2.4
393.17154	6.7
393.22360	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	393.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00594	2.8
59.01384	73.6
70.23863	1.1
71.01392	59.7
71.71611	1.2
72.99323	2.9
73.02954	13.7
82.36736	1.3
83.01392	2.2
85.02968	7.9
87.00901	3.4
89.02454	100.0
90.02783	1.6
95.01414	2.5
96.96005	1.9
97.02966	1.6
98.22663	1.7
99.00892	25.4
101.02453	36.9
107.01411	2.6
109.55520	1.2
113.02459	13.6
115.04055	2.0
117.17891	1.1
119.03517	13.6
121.02955	1.7
125.02460	15.7
131.03528	16.0
143.03506	1.9
149.04565	47.6
151.04068	1.3
161.04570	3.4
164.04762	1.7
167.07152	7.0
169.01424	12.7
179.03381	1.8
179.05647	6.5
179.07086	2.4
191.05591	10.4
196.06720	1.2
209.08206	5.0
241.03522	2.4
261.13452	2.5
273.02390	1.3
314.87872	1.3
317.04056	3.6
358.81723	1.1
362.08890	1.5
392.89725	1.5
393.17728	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	393.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12140	1.8
56.50627	2.0
57.03449	100.0
59.01382	98.5
60.01693	2.2
62.54354	2.1
64.48447	1.9
71.01382	20.7
73.02943	8.3
83.01389	6.0
85.02940	12.1
89.02472	2.4
91.47308	2.2
95.01416	3.3
99.04528	81.5
101.02454	42.9
105.95272	2.0
111.04504	5.2
113.02454	8.6
121.05430	1.9
123.97199	1.8
125.02444	18.2
127.07787	1.9
137.02411	3.0
143.03502	3.3
148.05252	2.4
150.03256	4.2
151.03990	3.9
151.07625	3.1
155.03458	2.6
159.42953	2.1
161.04575	7.1
183.06601	3.2
193.08713	18.1
195.06715	4.4
207.36823	2.0
234.10149	2.5
249.13441	40.0
375.14648	8.4
376.14590	2.7
393.14948	4.2
393.19730	11.1
410.01501	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	393.1916
Annotation	CHEBI:67683
Peak:m/z	Relative Intensity
55.15418	1.5
85.06602	4.2
87.04519	4.8
95.05019	1.7
99.04535	4.2
111.04522	16.7
113.06062	2.1
123.08178	5.0
125.02462	6.6
129.21931	1.6
141.05637	3.8
146.40868	1.7
165.05582	2.9
168.04216	1.9
169.05064	5.0
177.05586	3.7
179.07143	2.3
181.05080	2.3
193.08736	4.0
195.06624	29.8
196.06992	2.6
208.07376	3.8
209.08160	6.7
213.04414	1.5
237.07704	3.9
349.20071	2.7
375.18143	100.0
376.18488	13.0
393.19150	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	393.1912
Annotation	CHEBI:67683
Peak:m/z	Relative Intensity
50.24826	1.7
55.01884	2.8
56.13254	1.7
56.70666	2.2
69.04538	10.1
69.04961	6.6
75.43795	1.6
85.06586	2.8
87.04522	6.8
95.05074	2.8
99.04543	2.5
108.02174	4.5
111.04524	11.7
115.03975	2.1
123.04500	3.0
124.01691	5.1
125.02451	10.4
139.04022	98.1
140.04385	5.4
141.05620	2.8
143.03542	3.4
167.03500	34.4
168.04201	2.4
169.05096	6.0
193.08725	8.0
205.12305	2.8
207.13907	17.5
209.08148	3.5
224.03815	1.8
224.06918	5.3
347.18640	6.1
348.18756	2.3
375.18127	100.0
376.18481	12.7
393.19189	18.5
394.19305	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	393.192
Annotation	isoadenolin C
Peak:m/z	Relative Intensity
50.69337	1.2
57.03423	2.1
59.89019	1.1
63.70551	1.1
68.99810	2.2
71.05032	1.6
71.32160	1.2
73.02907	1.4
83.04990	2.4
84.68604	1.3
85.02943	3.2
85.06599	4.5
87.04514	10.5
95.05001	2.9
97.02956	2.2
97.06571	1.7
99.00837	1.9
101.06070	1.9
104.71351	1.2
106.26971	1.4
107.05023	1.3
109.02922	5.0
109.06603	5.1
111.04531	62.6
112.04861	1.7
121.06626	1.4
123.04543	2.0
123.08133	3.4
125.02381	1.4
125.06091	2.2
135.08208	2.7
137.02443	2.5
137.05936	1.5
141.05545	3.3
149.09721	2.8
153.01944	1.6
153.05519	1.4
163.07730	1.5
165.05559	3.6
166.02730	2.8
169.05077	27.9
177.05591	1.4
177.09138	1.4
179.07175	11.4
180.07474	1.7
181.05101	1.7
181.08731	2.0
183.06737	1.2
191.10764	1.6
193.08659	5.4
195.06606	10.8
205.05119	1.4
207.06647	22.2
208.07353	10.2
209.08159	1.4
219.10197	2.0
221.08255	12.1
223.06125	6.3
224.06775	1.9
239.12923	1.9
277.10764	5.4
307.65945	1.4
309.17120	2.2
365.19830	1.8
393.19171	100.0
394.19473	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	393.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94381	0.7
57.03445	1.9
61.78982	0.7
61.98828	2.5
69.09830	4.5
69.10241	1.4
71.05028	2.3
73.02961	1.8
74.04773	0.8
74.65445	0.8
82.11510	0.8
83.05032	10.9
84.06622	0.8
85.06611	1.6
87.04520	14.8
95.05060	1.9
97.02993	0.9
97.06569	2.2
99.00284	1.4
99.00886	15.5
99.04526	4.2
99.92595	2.8
101.06083	5.6
109.02961	1.2
109.06586	3.1
111.04507	1.8
111.08128	0.9
113.06084	1.0
115.92072	2.0
116.92869	2.8
123.04519	1.0
125.02444	0.8
125.06074	7.6
125.99593	2.1
126.94975	0.8
127.04015	1.8
139.03973	1.4
141.05585	2.0
153.09209	6.0
155.06972	0.8
161.13371	2.2
165.09163	0.8
169.05075	100.0
170.05426	4.6
179.07207	0.9
205.12291	4.0
209.08160	1.0
217.61122	0.9
221.08139	1.6
223.13385	7.7
225.07802	1.1
235.09792	1.0
247.09662	1.2
291.12311	7.6
305.13727	2.9
336.01227	0.9
375.17752	1.5
393.13950	1.8
393.18903	14.6
394.19437	2.1
395.66583	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83543	0.4
57.03439	0.7
59.01379	2.3
64.68340	0.5
69.03439	0.5
69.39856	2.7
71.01375	0.6
79.01886	1.1
80.97552	0.4
81.03458	0.6
82.97768	0.5
83.05029	0.7
85.02961	4.8
85.06574	1.1
87.04523	2.7
95.01385	1.1
95.05030	5.2
97.02946	1.5
99.04488	0.5
109.02977	1.1
109.06599	0.8
111.00916	0.6
111.04526	17.1
111.08136	0.7
112.04855	0.5
113.02457	5.6
113.06062	2.5
121.06635	1.0
123.04530	1.1
123.08182	1.8
125.02459	6.6
125.06110	0.8
125.09716	1.8
129.39508	0.5
129.59206	0.4
137.02477	0.5
137.06097	0.6
137.09735	15.0
138.03189	0.9
138.10051	0.6
139.07648	1.8
141.05559	0.6
149.02478	0.5
149.06058	0.5
150.03264	0.7
151.00374	1.6
151.07632	1.3
153.09157	0.7
154.17834	0.4
155.07130	2.0
163.07635	1.1
165.05597	4.1
165.09218	1.1
166.06360	2.4
167.07211	1.0
169.05054	1.2
175.07637	0.8
177.01979	1.1
177.05611	3.0
178.06299	1.3
179.03426	0.6
179.07005	1.0
181.05014	0.6
181.08720	1.6
183.06638	33.4
184.06950	1.3
184.52425	0.5
191.07120	0.8
193.08730	5.0
194.05836	2.1
195.06627	18.8
196.06932	0.8
198.05202	0.9
201.94301	0.5
204.04254	1.0
207.06642	7.8
209.08224	2.4
219.06610	1.5
220.07401	1.9
221.08109	2.5
223.09798	0.6
224.06853	2.1
225.07703	1.9
237.07700	12.1
238.08095	0.9
305.17670	0.6
333.17102	4.6
351.18192	1.0
375.18143	5.7
376.18805	0.7
393.19205	100.0
394.19543	14.5
396.46530	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1924
Annotation	CHEBI:67683
Peak:m/z	Relative Intensity
50.34855	0.4
54.10020	0.4
57.03448	0.7
59.01389	2.8
63.70514	0.4
63.94816	0.4
69.03453	0.8
70.62134	0.8
79.01901	0.5
80.40615	0.4
81.03416	0.5
85.02956	3.5
85.06578	1.5
87.04529	1.4
95.01405	1.3
95.05027	4.1
97.02953	0.9
109.02952	0.6
109.06624	1.0
111.04537	14.9
111.08161	0.7
113.02462	5.5
113.06137	2.0
121.06586	1.0
123.04528	1.5
123.08141	2.1
124.01728	0.5
125.02467	7.6
125.09739	1.6
135.04533	0.4
137.09738	17.7
138.03267	0.8
138.10066	1.1
139.07651	1.7
149.02483	0.5
149.09807	0.5
150.03198	1.0
150.06810	0.4
151.00398	2.0
151.04039	0.6
151.07642	1.7
155.07111	2.2
163.07805	0.9
165.05630	2.3
165.09172	0.5
166.06361	2.7
167.07118	1.7
175.07695	0.7
177.01949	1.6
177.05571	3.6
178.06305	2.0
179.07085	0.9
180.04259	0.5
181.05180	0.7
181.08717	1.6
183.06644	26.7
184.06989	1.3
191.07147	1.2
193.05095	0.5
193.08727	4.8
194.05901	2.2
195.06639	25.7
196.06969	1.4
198.05458	0.8
204.04259	0.8
207.06653	3.8
219.06593	1.9
220.07391	2.1
221.08151	1.2
223.06189	0.6
223.09801	0.5
224.06964	0.9
225.07767	2.1
233.08182	0.6
237.07703	15.7
238.08063	1.4
248.10558	0.6
263.12796	0.7
281.13995	0.7
296.06961	0.5
311.09332	0.8
333.17096	4.3
334.17896	0.5
351.18176	0.8
375.18134	5.4
376.18542	0.8
393.19217	100.0
394.19528	13.3
394.24738	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	4.2
59.01376	2.2
67.57175	1.0
74.28217	1.0
77.94801	1.0
79.01904	1.5
84.13428	1.2
85.02953	4.7
85.06589	3.6
87.04520	2.1
95.01404	2.7
95.05038	4.6
97.06575	1.4
107.05050	1.5
109.02962	3.1
109.06576	1.8
111.00907	2.3
111.04528	21.7
111.08138	2.6
113.02453	8.9
116.77962	1.0
121.06641	1.3
123.00938	1.5
123.08229	2.2
124.01690	1.2
125.02450	6.2
125.06083	1.2
127.00425	0.9
137.09706	1.5
138.03278	1.5
139.07675	4.9
141.01988	2.4
141.05588	1.1
150.03226	1.3
151.00365	2.1
151.04015	1.6
152.04747	1.2
155.07187	2.0
165.05583	5.6
165.09172	1.4
166.06317	3.7
167.07196	1.9
169.05008	1.3
177.01933	1.8
177.05612	3.5
178.06372	1.5
179.07121	4.6
181.05035	4.0
181.08717	4.5
183.06627	24.2
183.39006	1.1
184.07007	1.3
193.05063	7.6
193.08733	3.2
194.05791	1.9
195.06630	27.2
196.06992	2.2
197.04584	15.7
198.05255	2.1
207.06651	19.3
208.07001	1.0
209.04602	3.6
210.05336	1.9
211.06107	18.3
212.06482	1.5
220.07307	1.9
221.04623	6.7
221.08136	1.7
222.05255	6.2
223.06143	16.0
224.06380	1.2
225.07706	18.1
237.07707	6.6
239.05597	13.1
240.06424	15.0
263.12939	1.6
312.07318	1.2
319.60858	1.2
333.16937	5.5
334.44208	1.0
351.18149	1.2
375.14264	7.4
375.18387	4.4
393.19229	100.0
394.19492	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	393.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.3
57.03440	0.6
67.05521	0.5
68.99818	0.3
69.29227	0.8
69.29633	1.1
72.75981	0.4
85.02969	0.4
85.06594	1.6
87.04519	4.5
95.05040	0.9
97.06591	0.8
97.36982	0.3
99.00906	0.3
101.06077	1.0
109.02963	0.6
111.00922	0.3
111.04523	10.2
111.08060	0.3
113.06121	0.3
121.02922	0.3
121.06584	0.6
123.04543	0.4
123.08152	0.7
125.02444	0.8
125.06073	0.3
135.08116	0.4
137.02409	0.6
137.06110	0.4
138.03221	0.6
141.05634	0.4
147.08136	0.8
149.06068	0.4
149.09703	1.6
150.06851	0.4
151.07599	0.4
153.01949	2.3
154.02724	1.7
157.06659	0.3
165.09239	0.6
167.03470	0.3
169.05096	1.6
173.09738	0.4
175.07677	1.3
177.05563	1.0
178.06323	1.1
179.07237	0.6
180.00694	1.2
181.01462	1.6
181.05054	1.3
182.02219	7.3
183.02635	0.3
189.09131	0.3
191.03435	0.3
192.07933	0.3
193.08705	0.5
195.04836	0.4
195.06628	8.0
196.03909	0.4
196.06944	0.5
201.12915	0.3
203.10620	0.4
206.05763	0.7
207.06674	0.6
208.07343	0.7
209.04585	0.5
209.08131	0.6
221.11917	0.3
223.06099	7.4
224.06900	48.5
225.07278	3.1
233.15431	0.3
237.14938	3.0
238.15280	0.4
243.13927	0.5
253.14482	3.0
259.13010	0.3
261.14932	0.8
263.12946	1.0
274.93909	0.3
277.14395	0.5
279.16000	0.8
281.13950	1.6
294.32159	0.3
305.14026	0.9
323.14880	0.9
347.18616	0.8
365.19760	0.7
375.18152	1.2
375.23636	0.3
393.19199	100.0
394.19550	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	393.192
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65841	0.5
57.03435	0.6
70.61276	0.5
85.06590	0.8
87.04528	3.5
97.06570	0.6
98.22537	1.4
101.06058	0.6
111.04525	7.0
125.02479	0.8
141.05562	0.6
149.09724	1.3
153.01932	1.4
154.02774	1.1
169.05159	0.5
175.07664	1.6
177.05669	1.1
180.00642	0.6
181.01414	1.8
181.05171	0.6
182.02217	4.4
195.06641	6.4
223.06136	3.8
224.06903	27.9
225.07329	1.9
237.14938	1.9
253.14455	1.7
261.14844	0.5
279.15976	0.9
281.13962	1.7
305.14059	0.6
323.15015	0.6
344.68683	0.5
349.20547	0.6
375.18063	0.7
393.19226	100.0
394.19537	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	393.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
70.48347	0.8
72.83776	0.4
77.14217	0.4
79.95743	2.3
96.96017	100.0
97.95992	0.5
99.08233	0.5
99.14004	0.4
183.13933	1.7
313.23843	3.2
393.19537	43.7
394.19965	4.4
400.94876	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
59.31502	0.2
70.48387	0.5
79.95743	2.3
96.96018	100.0
97.95969	0.4
116.33681	0.2
161.76268	0.2
164.52280	0.2
183.13910	1.9
198.00935	0.3
229.98282	0.2
295.22900	0.4
302.62366	0.2
313.23810	3.4
314.24106	0.4
393.19547	42.2
394.19855	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	393.2649
Annotation	Tylactone
Peak:m/z	Relative Intensity
57.03444	1.1
59.01327	0.8
59.96450	0.6
69.19049	1.4
69.19447	3.9
86.07240	0.7
96.96021	6.8
98.22495	1.2
137.79631	0.6
163.45288	0.7
204.26297	0.7
204.67674	0.7
247.98828	0.7
302.03339	0.7
315.23352	1.8
329.24994	1.1
331.26450	29.2
332.26828	3.0
334.34161	0.8
349.27515	25.5
350.27939	2.6
375.25446	3.5
376.25845	0.7
393.18622	3.0
393.26544	100.0
394.26883	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	393.278
Annotation	Unknow
Peak:m/z	Relative Intensity
63.99968	13.2
71.28401	20.9
88.92142	13.8
94.69827	13.7
104.27202	13.5
110.66846	13.5
205.25800	13.0
250.09125	15.7
309.60416	15.1
336.04352	13.8
349.11331	16.0
393.13605	100.0
393.22128	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	394.0239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22243	0.4
58.01928	0.4
62.80053	0.4
64.50803	0.5
65.99839	0.7
73.60541	0.4
74.10278	0.4
76.60670	0.6
79.95731	1.5
80.96526	0.9
81.96964	0.5
86.76672	0.4
93.03461	1.4
109.02959	1.2
118.03030	0.6
120.00905	1.0
120.04533	0.4
121.02966	2.7
123.00934	0.5
134.02486	3.6
139.03981	1.2
140.99046	0.4
148.01727	0.7
149.01198	5.2
149.02446	1.4
150.02000	3.9
151.04037	0.5
162.01976	5.9
164.03551	6.0
174.01894	0.6
176.03525	0.9
190.01445	0.7
191.02220	0.8
192.03061	4.2
204.03098	1.0
206.04561	1.3
211.04147	0.6
213.04320	0.6
225.04221	0.6
226.02780	1.3
226.05060	0.8
227.03535	1.5
235.40163	0.4
242.04614	2.7
243.03036	2.8
243.05104	0.6
244.03526	0.6
253.03769	1.0
254.04552	3.4
255.03009	1.5
270.04089	18.9
271.02173	0.7
271.04822	2.4
271.99716	0.5
282.04065	1.8
282.98776	0.5
287.05789	0.5
297.06616	0.8
298.03568	2.7
299.04376	83.4
299.99249	6.6
300.04745	6.4
312.05173	5.1
314.06732	100.0
315.01941	4.2
315.07388	8.5
394.02383	37.5
394.97742	0.7
395.02682	3.5
403.66946	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	7.4
63.08840	1.1
64.61777	1.0
69.32909	2.1
69.33315	5.0
79.95740	2.5
96.96018	100.0
97.95932	2.9
98.95605	13.6
98.96456	1.6
173.67979	1.2
242.33453	1.6
249.10530	1.5
314.24188	3.1
315.05042	3.8
386.25357	1.2
394.19788	38.9
395.19769	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	394.9717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.0
59.01381	4.5
65.00326	4.9
69.38702	0.7
69.38974	2.8
71.01392	6.9
73.02949	3.7
76.84353	0.8
83.01381	1.5
85.02949	4.1
89.00355	1.3
89.02467	1.1
91.01904	1.3
93.03471	1.9
96.96021	40.0
97.02963	4.7
99.00878	1.7
101.02457	7.4
113.02461	2.6
121.02965	11.6
122.03312	0.6
125.02415	0.9
139.04013	2.3
143.07132	3.0
149.02470	3.5
149.99579	1.7
159.02887	0.8
161.04529	1.9
165.01945	28.7
166.02226	1.0
172.01556	0.8
183.03035	1.0
193.01436	10.0
200.01176	1.6
204.04269	2.6
216.00656	1.0
216.04237	0.6
228.00584	0.9
233.06618	0.5
243.03029	1.2
244.00194	0.8
247.09813	2.7
253.18025	1.3
255.16158	3.2
256.03528	0.9
263.15005	12.6
270.98880	0.7
271.02457	1.4
271.06000	0.6
272.03250	1.8
275.01978	1.0
275.09274	4.5
276.09778	0.8
298.98340	0.6
299.99130	100.0
300.99481	7.8
315.01486	91.8
315.05127	39.0
315.18045	5.1
316.01807	7.9
316.05414	3.1
395.00906	15.2
395.13763	22.3
395.19232	10.1
396.01077	0.7
396.14069	1.6
400.55490	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.9717
Annotation	Unknow
Peak:m/z	Relative Intensity
69.06160	3.3
76.84229	0.5
78.17380	0.4
98.21828	1.1
103.69641	0.4
106.27383	0.4
106.78748	0.4
130.57855	0.4
148.01520	0.4
157.47237	0.5
163.02071	0.6
165.01840	0.5
172.01668	3.2
188.01089	0.5
199.00256	0.5
200.01151	2.1
216.00635	2.7
226.99886	0.4
228.00664	6.2
244.00189	5.4
245.00499	0.5
271.02112	2.5
271.99619	7.6
282.98898	4.8
299.04391	2.4
299.99139	100.0
300.04727	6.6
300.99487	8.3
301.04721	0.5
313.05679	0.6
314.06717	1.9
315.01532	81.0
315.04898	4.5
315.07828	4.8
316.01810	7.6
377.16104	0.6
394.97397	4.2
395.02869	3.0
395.07455	0.5
395.14267	0.5
396.02148	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.9717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.5
62.09898	0.5
65.00325	5.7
69.03688	4.1
74.30814	0.5
82.28693	0.5
89.00324	1.6
91.01897	1.7
91.82625	0.5
93.03462	1.2
96.95435	0.8
96.95981	3.3
97.02963	4.9
115.68676	0.6
121.02966	13.4
121.42311	0.6
139.04036	1.7
149.02434	2.8
149.99597	1.9
159.04480	0.5
160.01758	0.5
165.01942	29.0
166.02307	1.3
170.31384	0.6
183.02934	1.1
184.22612	0.5
193.01425	11.3
200.01163	1.2
216.00607	1.4
227.03694	0.6
228.00668	1.1
242.99289	0.8
243.02989	1.2
244.00032	1.4
255.02965	1.1
256.03757	0.8
259.06088	0.7
265.94022	0.5
271.02390	1.4
271.99951	0.9
272.03223	2.7
284.33426	0.6
298.98477	0.9
299.99130	100.0
300.99469	7.1
315.01480	95.9
315.05130	44.6
316.01779	7.9
316.05441	4.1
395.00912	14.6
395.05887	1.3
395.14047	1.5
396.01114	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0079
Annotation	Rhamnetin 3-O-sulfate
Peak:m/z	Relative Intensity
55.39897	0.8
55.57042	0.8
65.00326	8.2
69.07559	2.5
69.07976	3.4
89.00290	1.7
91.01923	1.0
93.03463	2.3
96.96015	28.4
97.02957	7.4
97.65668	0.8
109.02967	0.9
113.25933	0.8
121.02966	25.2
122.03304	0.8
139.03984	0.8
149.02478	2.3
149.99585	2.4
151.00369	2.5
163.00360	1.5
165.01941	59.4
166.02232	2.2
193.01419	7.9
207.02986	1.1
228.04227	1.3
234.13992	0.7
244.03696	1.1
259.05972	1.4
272.03314	1.4
287.05566	1.8
289.84091	0.8
300.02747	12.2
301.02887	0.8
315.05109	100.0
315.25406	4.3
316.05396	8.2
318.76208	0.8
320.55746	0.8
395.00812	16.0
395.21057	18.9
395.25992	1.6
396.01321	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0081
Annotation	6-Methoxykaempferol 3-O-sulfate
Peak:m/z	Relative Intensity
60.43992	0.5
70.93883	0.8
76.83989	0.5
76.85285	0.6
103.99785	0.4
108.02182	1.0
110.52625	0.5
127.61289	0.5
138.87558	0.5
148.01717	0.8
151.00375	0.7
163.00417	0.9
164.01157	0.8
192.00491	0.5
227.03520	1.1
235.87888	0.5
243.03001	6.7
244.03563	0.8
248.01495	0.4
254.02199	2.0
255.03006	19.1
256.03314	1.0
271.02496	45.7
272.02936	4.0
299.01822	1.2
300.02771	100.0
301.03091	7.9
315.05124	88.6
316.05487	7.8
395.00772	15.7
395.21158	0.6
396.01035	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0079
Annotation	6-Methoxykaempferol 3-O-sulfate
Peak:m/z	Relative Intensity
65.00330	15.0
69.13880	4.4
77.49213	0.6
86.52143	0.5
89.00352	3.4
91.01894	2.6
93.03472	4.9
96.36740	0.7
96.96005	2.0
97.02962	10.6
100.59472	0.5
109.02959	1.1
112.23951	0.6
121.02971	28.6
122.03305	0.9
139.04047	6.0
149.02457	8.4
149.99617	4.2
158.10548	0.6
161.04828	0.6
164.01094	0.9
165.01944	74.1
166.02271	3.5
183.02997	3.1
183.04449	1.1
193.01436	24.6
194.01765	1.4
200.01067	1.0
216.04204	0.8
227.03433	1.4
243.02948	4.4
244.03625	0.7
255.03003	2.1
256.03842	2.2
259.06177	0.9
263.14969	0.6
271.02475	4.1
272.03271	5.6
287.05722	1.0
299.99185	32.9
300.02725	3.3
300.99463	2.5
315.01514	28.2
315.05148	100.0
316.01807	2.0
316.05515	7.6
395.00806	30.9
395.14093	1.2
396.00952	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	395.008
Annotation	Unknow
Peak:m/z	Relative Intensity
60.92432	0.4
70.93750	0.7
76.85265	0.7
86.77007	0.5
108.02196	1.2
121.82132	0.5
126.29478	0.5
135.00827	0.5
148.01697	1.1
151.00443	1.1
152.01122	0.5
164.01219	0.6
226.02722	0.9
227.03555	1.4
243.02989	7.2
244.03685	1.0
254.02229	1.4
255.02997	21.9
256.03366	1.5
271.02490	47.1
272.02869	4.8
299.02066	0.9
300.02759	100.0
301.03091	10.1
315.05109	95.5
316.05432	8.2
341.60776	0.5
395.00763	19.9
396.00961	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0444
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88507	0.2
70.99154	0.3
79.95747	1.2
96.96038	0.7
107.05043	0.5
121.02935	0.5
134.03761	0.9
135.04541	100.0
136.04865	4.4
153.05705	0.3
161.02528	0.3
165.01976	0.8
179.03423	0.3
215.00206	6.1
255.02902	0.4
297.07663	0.5
299.99173	1.4
300.02780	1.2
315.01315	1.0
315.05228	2.4
315.08734	23.7
316.05789	0.4
316.08994	1.7
395.04428	19.6
395.20575	0.4
395.24677	0.6
396.04831	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	395.0443
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96241	12.0
67.01911	1.3
70.41640	1.6
70.41966	1.6
71.01385	8.1
72.99313	5.1
82.49033	0.8
86.76469	0.9
87.00864	1.4
89.02452	100.0
90.02790	1.1
109.02959	3.1
120.79936	0.9
122.97594	1.2
123.04493	1.4
125.02422	1.0
135.04543	1.5
135.37012	0.9
137.02463	1.4
139.76535	0.9
143.05020	1.2
147.04572	1.5
152.98645	84.4
153.99042	1.6
157.06610	1.7
159.04529	15.9
161.02492	2.0
165.05612	1.4
173.06052	4.0
175.07649	6.8
177.05623	0.9
183.04468	1.1
185.06117	0.9
197.06105	1.8
199.07701	3.3
201.05609	12.2
215.07234	1.3
225.05640	2.5
241.05037	6.1
243.06638	63.0
244.06982	5.7
257.08249	5.4
269.08231	10.2
270.08533	1.5
282.88452	0.9
285.07718	7.1
287.09131	1.0
295.06134	3.5
307.02789	3.6
313.07175	11.2
314.07550	1.2
315.05011	1.7
331.08246	10.2
395.00067	1.3
395.04477	2.1
407.84976	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51340	3.4
59.94651	3.4
60.99301	16.0
70.76292	5.6
78.95901	7.4
87.00886	3.8
87.92546	8.1
88.98811	100.0
92.21530	4.0
103.92046	7.4
104.92805	3.7
113.02460	6.3
114.12833	3.9
126.19515	4.3
133.01454	3.8
142.87389	3.7
144.54292	3.7
158.50259	3.4
171.94675	6.5
201.95686	5.5
267.07217	10.5
276.49133	3.9
396.03598	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	395.062
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21126	2.4
58.10444	2.7
60.99307	12.8
70.54395	5.1
88.98814	100.0
152.71275	2.6
153.01944	3.5
189.72466	3.1
203.45737	2.7
256.92795	5.4
394.96066	4.4
395.03192	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	395.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04967	3.8
54.32949	3.8
59.01362	7.6
59.92175	3.8
60.99301	15.4
70.62021	7.3
71.01369	6.5
79.37915	3.9
83.20704	4.1
84.09991	3.7
87.26495	4.0
88.98810	100.0
96.15840	4.1
96.96009	7.0
98.95625	8.7
100.28177	4.8
105.65569	4.3
154.25511	4.4
194.51959	4.2
217.53534	5.1
256.93042	5.8
395.05188	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	395.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01875	0.5
67.80293	0.4
71.01390	0.6
79.01887	1.3
79.95748	3.3
86.65273	0.4
95.01382	2.3
96.95979	0.6
109.02964	1.0
109.85740	0.4
114.40963	0.4
120.61499	0.5
121.02974	1.3
123.00903	18.3
125.02429	0.8
133.03067	0.6
134.03729	1.3
135.04556	0.9
137.02464	0.5
139.00368	2.4
141.01929	1.4
141.07193	0.7
143.05040	0.8
145.03017	0.5
151.00395	7.9
157.06569	0.8
159.04538	12.3
160.04932	0.6
161.02502	0.7
165.01945	2.0
172.05260	0.5
173.06023	2.3
174.97244	0.5
175.07709	2.9
181.06554	0.6
183.04503	0.7
185.05952	0.6
193.01361	1.0
193.05092	0.5
197.06049	0.8
199.07619	3.4
201.05579	10.8
202.06032	0.9
213.05453	0.5
217.05098	6.4
218.05829	6.0
219.06404	0.5
224.04790	1.7
225.05569	2.9
226.06331	0.6
229.05035	0.5
233.08257	1.0
241.04985	0.7
243.06635	100.0
244.06996	7.0
245.08238	1.6
246.08875	0.5
247.09775	10.4
248.10117	0.7
257.08383	0.7
259.02753	0.5
259.06128	0.7
259.09726	1.4
271.02417	1.6
275.09274	22.0
276.09595	1.7
287.09283	2.6
299.99048	1.8
300.02802	2.0
300.06519	1.6
305.10303	5.0
315.01416	1.5
315.05103	5.6
315.08795	4.0
317.10397	0.9
395.04025	3.4
395.07773	14.4
395.13504	14.4
395.24542	0.6
396.08069	1.6
396.13736	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1115
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76058	6.5
55.43258	8.0
57.03432	7.7
59.01386	100.0
61.98830	9.0
69.12412	13.7
69.12816	47.7
71.01387	64.0
72.99332	6.7
73.02948	16.4
73.08492	6.2
83.01406	8.1
85.02972	40.0
87.00883	10.7
89.02452	23.4
98.21832	16.5
99.00848	13.0
99.04501	6.5
101.02452	59.5
111.00888	23.4
113.02473	21.9
118.38508	6.8
125.02444	9.9
145.03290	11.7
161.04593	21.1
162.78276	7.1
164.04857	19.4
179.07124	36.0
233.10281	33.8
237.89767	7.0
374.98636	6.5
395.10223	7.8
395.15433	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	395.1115
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86744	11.7
57.03446	14.7
59.01389	100.0
69.39338	64.5
71.01398	23.4
80.32439	10.2
89.02432	19.5
98.21817	27.1
99.04580	17.7
101.02433	26.0
101.04323	12.8
113.02445	24.3
125.02429	13.9
140.84891	14.7
161.04611	14.4
163.03969	27.2
164.04796	45.9
164.97626	12.3
179.07166	79.9
211.04471	13.6
212.02386	14.1
221.30087	13.4
233.10284	18.8
260.82077	12.2
264.68625	13.2
359.44778	12.3
392.12955	15.5
395.15497	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1114
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	6.7
59.01382	100.0
69.56924	22.2
71.01382	23.9
73.02940	6.9
77.86756	5.2
78.94029	4.5
85.02953	6.7
89.02453	12.2
98.22461	6.6
101.02438	15.7
101.04307	16.1
113.02429	21.3
118.17527	5.2
119.03539	5.7
127.60871	4.9
161.04581	5.0
236.58405	5.2
249.06171	6.7
335.17117	13.7
395.11166	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	395.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62864	0.5
56.70786	0.6
59.01373	0.6
67.16693	0.5
77.03969	1.2
79.01923	0.9
102.87775	0.6
105.03462	1.1
107.01421	0.8
116.08400	0.6
116.18829	0.5
120.28440	0.6
121.02956	1.1
123.08149	0.9
125.06104	1.0
127.39235	0.6
135.48665	0.5
137.02583	0.6
149.02422	3.4
151.07623	1.3
161.02365	0.7
163.04024	1.8
167.07199	0.9
173.06042	0.9
175.03990	1.2
189.05528	0.9
191.03583	1.2
195.06633	3.7
207.10373	0.7
216.00682	1.2
217.05057	29.1
218.05844	36.1
219.06310	2.3
228.00606	1.1
230.05899	0.7
232.07463	2.1
233.08199	1.6
240.00615	0.6
245.08147	0.6
247.09766	69.8
248.07762	0.8
248.10097	5.7
257.08224	3.5
259.09723	1.0
271.99634	1.1
273.07401	0.7
275.09274	100.0
276.09555	9.6
287.09293	3.3
299.99173	11.7
300.99451	1.2
305.10294	3.4
315.01566	11.2
315.05014	1.0
315.08792	1.2
316.01971	1.4
386.91086	0.6
395.13492	55.4
396.13821	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	395.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78668	0.3
53.41164	0.3
59.01387	0.4
59.22812	0.2
59.71291	0.2
60.39931	0.3
62.99881	0.3
65.00330	0.6
69.10960	0.3
70.10484	0.3
71.01371	1.1
77.03973	0.5
105.03462	1.0
121.02934	0.3
123.08160	0.3
125.06055	1.0
137.39346	0.3
137.70648	0.3
149.02414	0.6
159.54514	0.3
160.84238	0.3
161.09712	0.6
163.00386	0.3
163.68407	0.3
175.03932	0.3
179.07056	0.3
203.10829	1.6
204.04248	0.7
216.04314	0.7
217.05063	26.6
218.05836	26.7
219.06291	2.0
219.10197	0.3
221.43640	0.4
227.03658	0.4
228.04369	0.4
229.05064	1.1
230.05803	1.5
231.06677	1.5
232.07446	1.6
233.08200	3.9
243.10188	0.4
245.04408	0.5
245.08189	4.8
246.05519	0.6
246.08878	1.6
247.09761	42.1
248.10081	3.4
250.04857	0.4
257.04636	0.8
257.08197	1.9
258.05261	0.4
259.09744	5.3
260.10092	0.4
272.07031	0.6
273.07718	1.2
273.11185	0.3
275.09268	100.0
276.09622	8.5
278.07883	2.2
287.09274	9.9
288.09726	0.8
289.10870	0.7
303.08789	0.4
305.10330	23.9
306.10611	2.4
317.10324	2.1
318.10568	0.4
319.11783	0.5
341.10315	0.5
347.11282	0.4
377.12262	0.7
395.13480	51.4
396.13864	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	395.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	6.6
57.03453	4.4
58.00604	0.9
59.01382	37.0
65.67247	0.5
68.99827	0.5
69.03468	1.8
69.16914	3.6
71.01389	55.1
72.01734	0.8
72.99314	1.9
73.02953	30.1
75.00874	1.2
76.04810	0.6
83.01396	12.5
84.02183	0.6
85.02959	30.3
86.00093	1.4
86.03297	0.7
87.00886	3.5
87.45206	0.6
89.02454	10.2
95.01392	4.1
95.60051	0.5
97.02962	2.7
97.11608	0.6
99.00891	12.4
99.04579	0.5
99.08164	1.3
101.02451	60.1
101.09731	1.1
102.02815	1.3
107.74470	0.5
111.00922	1.9
113.02462	21.6
114.02819	0.6
115.04022	1.8
119.03543	1.0
125.02477	5.0
129.01956	1.6
131.03535	2.5
139.06985	0.6
141.01889	0.6
143.03477	3.3
149.04478	0.9
159.03004	4.5
161.04575	20.2
162.04965	0.9
162.38742	0.5
171.10229	0.6
181.42432	0.5
205.03464	0.9
217.05090	1.0
218.05930	0.8
233.06708	2.4
244.56528	0.7
247.09891	2.9
263.15009	100.0
264.15375	6.5
275.09286	4.5
299.26437	0.5
299.99152	3.7
305.15720	0.5
315.01566	3.5
316.01736	0.8
395.19217	55.6
396.19553	4.9
417.08121	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1923
Annotation	Creoside IV
Peak:m/z	Relative Intensity
55.01877	5.7
57.03453	4.8
58.00613	1.3
59.01381	34.2
60.01701	0.9
66.91746	0.8
69.03487	1.5
69.19368	4.5
71.01384	49.4
71.49846	0.7
72.99315	1.3
73.02951	27.5
75.00903	2.2
81.03449	1.1
83.01392	11.5
85.02956	25.8
86.00095	1.9
86.03311	1.0
87.00886	3.8
89.02457	10.3
95.01389	3.8
97.02988	2.6
99.00884	12.3
101.02449	56.1
101.09732	1.1
102.02794	1.8
111.00901	2.5
113.02464	20.0
115.04008	0.9
117.77657	0.8
122.63821	0.8
125.02471	3.6
129.01930	1.3
131.03487	2.1
143.03497	3.5
149.04515	0.8
159.02968	4.1
161.04572	19.7
187.28658	0.7
204.04352	2.0
233.06752	2.5
247.09752	2.5
263.15009	100.0
264.15381	6.6
275.09222	4.3
299.99167	2.5
307.14059	1.0
315.01593	2.0
395.13858	3.0
395.19189	55.4
396.19638	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	395.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	5.3
57.03449	3.6
58.00589	1.3
59.01381	33.1
60.01727	0.4
67.14397	0.3
68.99833	0.3
69.03451	1.4
69.26847	2.5
71.01385	43.0
72.01716	0.7
72.99329	1.7
73.02950	23.2
74.03329	0.4
75.00876	1.0
81.03485	0.5
83.01392	16.4
83.05031	0.4
85.02956	22.7
86.00108	1.1
87.00877	2.1
87.04547	0.5
87.08152	0.8
89.02454	5.2
95.01389	2.6
97.02964	2.5
98.21762	0.6
99.00889	8.0
101.02448	55.9
102.02795	1.4
103.04031	2.3
111.00876	1.0
113.02456	16.8
115.03980	0.5
119.03532	1.2
125.02446	2.2
125.50722	0.4
126.58465	0.3
129.01949	1.4
129.09245	0.4
131.03423	0.4
143.03529	2.8
145.05095	0.9
157.08737	0.7
159.03021	3.9
161.04561	20.7
162.04935	0.8
163.06110	1.2
178.09276	0.3
185.37231	0.3
205.03653	0.5
229.07214	1.1
236.72910	0.5
237.07767	0.4
247.08221	1.3
249.13446	100.0
250.13803	6.3
263.14951	0.8
293.12460	0.6
294.93994	0.4
395.19232	22.6
396.19620	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	395.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	5.2
57.03451	3.9
58.00583	1.5
59.01379	35.1
60.01717	0.4
69.03442	1.6
71.01384	47.3
71.29720	0.5
72.01715	0.7
72.99315	2.5
73.02948	21.4
75.00887	0.8
75.56194	0.4
83.01389	15.9
84.17690	0.3
85.02953	26.6
86.00096	1.0
86.03332	0.7
87.00883	2.6
87.08163	0.5
89.02439	6.4
95.01389	3.5
97.02970	2.1
99.00285	0.6
99.00881	7.1
99.04518	0.5
101.02448	51.8
102.02764	0.8
103.04031	2.4
109.02960	0.5
111.00888	1.4
111.04502	0.6
113.02454	19.6
114.02795	0.4
115.03995	0.5
115.07616	0.4
119.03514	2.1
120.99657	1.1
125.02442	2.7
127.04057	0.4
129.01933	1.3
137.02487	0.5
141.02028	0.5
143.03528	2.5
144.55284	0.4
145.05080	0.6
159.02986	4.3
161.04570	23.3
162.04921	0.5
163.06137	0.9
169.01549	0.4
176.81030	0.4
177.09187	0.5
199.34355	0.4
205.03549	0.4
229.07187	1.0
242.60170	0.4
247.08195	0.8
249.13437	100.0
250.13773	6.2
293.12378	0.9
373.56180	0.4
395.19229	24.8
396.19513	3.0
397.49884	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49722	0.6
50.81270	0.5
53.95029	0.5
55.01879	5.4
57.03452	3.7
58.00578	1.9
59.01379	41.4
69.03439	1.4
69.25896	1.5
69.26321	1.9
71.01383	48.5
72.01679	0.7
72.99313	3.1
73.02947	25.4
81.03417	0.7
81.47337	0.6
83.00877	0.7
83.01384	20.5
85.02953	28.6
85.06572	1.3
86.00083	1.8
86.03293	0.9
87.00874	3.4
87.08124	0.7
89.02448	6.5
90.02750	0.5
94.94421	0.5
95.01387	3.8
96.86676	0.6
97.02930	2.5
98.21794	1.3
99.00883	9.0
99.08127	0.9
101.02445	60.8
102.02766	1.0
103.04002	2.0
107.58443	0.5
111.00854	1.5
113.02454	20.7
115.04035	0.7
115.07610	0.8
119.03490	1.9
120.99643	0.9
123.00865	0.6
125.02428	2.5
129.01921	1.5
131.03389	0.7
141.01909	0.7
143.03545	2.8
145.02888	0.8
145.05045	1.6
157.08647	0.6
159.03009	4.5
161.04559	24.1
162.04865	0.5
205.03476	0.9
233.18024	0.5
243.85008	0.5
247.08238	1.3
249.13432	100.0
250.13779	6.1
263.15002	5.0
283.05093	0.8
395.19217	24.2
396.19739	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	395.207
Annotation	Isoadenolin E, (rel)-
Peak:m/z	Relative Intensity
57.03441	0.6
69.88014	0.3
71.05022	0.6
71.28180	0.4
75.97810	0.2
79.01913	0.6
85.06594	0.9
87.04527	2.9
97.02953	0.6
101.06107	0.3
107.05019	0.6
109.06590	4.1
110.00038	0.3
111.04516	3.8
121.02950	1.1
121.06647	0.5
123.08173	1.9
125.02507	0.4
125.97489	0.3
135.04552	0.4
135.08157	0.6
137.02428	1.3
138.03246	4.1
139.04028	0.8
141.09235	0.4
147.08170	0.6
150.06885	0.9
153.05595	0.6
163.00348	0.4
165.01941	6.6
165.09222	4.3
166.02721	20.4
167.03085	0.9
170.02232	0.6
179.07086	0.7
180.07834	0.5
181.08469	0.3
191.07097	0.6
193.05075	1.1
198.01637	0.4
207.06644	7.4
208.07419	49.1
209.07831	3.9
221.08159	0.6
222.09106	0.5
233.15402	0.3
235.09761	0.5
240.06374	0.7
245.15398	0.4
277.14493	0.6
295.16183	0.4
307.15598	0.6
325.16577	2.8
327.21628	0.4
356.23489	0.3
365.19778	0.5
377.19662	2.8
385.01004	0.3
395.20749	100.0
396.21088	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	395.207
Annotation	Isoadenolin E, (rel)-
Peak:m/z	Relative Intensity
50.54514	0.5
52.47873	0.5
57.03445	0.7
65.79478	0.5
70.62898	1.1
71.05017	0.9
78.56000	0.5
80.16968	0.5
85.06587	1.0
87.04517	2.4
93.17015	0.4
109.02967	0.7
109.06600	3.5
111.04527	3.2
123.04527	0.5
123.08174	2.4
136.49159	0.5
137.02477	1.5
138.03239	3.7
141.09160	0.6
142.46144	0.4
150.06828	0.6
153.05455	0.7
165.01942	5.6
165.05600	0.7
165.09230	4.5
166.02722	18.9
193.05038	1.2
195.06635	0.6
198.01735	0.6
207.06645	5.9
208.07414	40.9
209.07889	2.3
210.90164	0.5
235.09761	0.5
245.15742	0.6
310.98755	0.6
325.16574	1.7
351.29160	1.3
377.19565	1.5
395.20752	100.0
396.21121	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	395.208
Annotation	Isoadenolin E, (rel)-
Peak:m/z	Relative Intensity
50.15287	0.6
56.56003	0.7
57.03450	3.8
59.01372	2.8
69.13972	4.2
71.01379	0.8
71.05009	1.0
83.01395	1.6
83.05043	1.2
85.02960	3.9
85.06601	2.6
87.04519	9.4
95.05042	1.7
96.96008	0.7
97.02986	0.9
99.08168	3.8
101.06083	2.5
109.02984	0.8
109.08920	0.6
111.04537	5.9
111.08149	1.4
113.02451	1.7
113.06087	1.2
121.02957	2.0
123.08182	5.9
125.06099	6.0
125.09727	2.2
133.06435	0.6
135.08173	4.6
137.06033	0.6
139.07669	2.5
149.06113	1.0
151.04036	0.8
151.07651	1.8
151.11317	0.8
153.09174	1.1
154.30724	0.7
155.07149	1.8
155.10811	1.3
163.07661	0.9
163.11328	0.8
164.61552	0.6
165.05569	1.3
165.09196	0.8
167.07086	1.4
167.10760	1.6
175.11238	0.9
177.01962	1.6
181.05048	1.9
183.06641	21.3
184.06984	1.1
191.07033	1.3
192.07980	1.1
193.08418	3.2
193.12340	5.3
195.10086	1.5
195.14006	0.8
197.08257	0.9
205.08621	1.4
208.07420	1.3
209.08101	1.6
211.13429	7.5
217.16005	5.6
219.10275	1.5
220.07384	0.8
221.08221	1.9
221.15338	0.7
235.13406	0.9
239.08968	1.3
239.12909	6.3
247.09821	1.9
249.14975	1.9
261.11276	2.5
283.15588	1.4
305.21213	2.4
313.07098	1.1
319.25992	0.8
323.22397	2.1
333.20654	3.8
335.18692	7.1
336.18900	0.7
349.19980	0.8
351.18173	0.8
351.21942	4.3
353.19562	0.9
359.18674	0.8
376.44501	0.6
377.19690	16.8
377.24124	1.3
378.20044	1.9
395.20749	100.0
396.21091	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	395.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
58.10688	0.2
58.20590	0.2
59.35358	0.2
60.49875	0.2
70.55460	0.5
70.55775	0.3
71.58208	0.2
79.95736	2.0
87.17941	0.2
96.96016	100.0
97.02920	0.3
97.95972	0.5
118.24552	0.2
119.80452	0.3
165.01939	0.7
216.67880	0.2
297.24359	0.8
313.23944	0.3
315.05188	1.1
315.25412	14.8
316.25854	1.7
389.62125	0.2
395.21075	59.5
396.21417	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	395.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80976	0.2
69.07710	1.8
70.60205	0.3
79.95745	1.9
89.13341	0.3
96.96017	100.0
97.95934	0.7
98.21853	0.4
98.63778	0.2
121.02985	0.4
134.27283	0.2
165.01900	0.5
165.39952	0.2
295.97147	0.3
297.24365	0.7
313.23856	0.5
315.04736	0.5
315.25403	14.2
316.25751	1.4
380.67923	0.5
395.21082	60.4
396.21414	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	396.1515
Annotation	R-L3
Peak:m/z	Relative Intensity
52.46257	0.6
55.01885	1.1
56.98040	1.0
57.03434	0.8
57.70264	0.7
58.00597	0.7
59.01382	19.0
61.98837	6.7
63.61923	0.6
70.02978	1.3
71.01390	16.5
71.04666	1.2
71.05029	16.4
72.99309	2.5
73.02939	3.0
83.01383	1.6
85.02957	6.5
86.02480	6.2
87.00884	27.3
88.01185	0.9
88.04031	0.9
89.02456	7.1
95.01402	1.6
99.00888	1.8
99.04542	4.7
101.00965	2.0
101.02450	8.2
102.98820	0.8
104.03546	11.7
108.02188	1.3
111.00898	0.8
113.02464	5.5
114.02000	1.4
116.07168	1.3
117.00451	2.1
119.03518	2.5
125.00941	2.0
126.98865	1.5
129.05589	1.1
136.99184	1.3
137.02463	3.9
138.02788	1.1
141.00523	1.6
146.08252	17.8
157.03604	4.1
159.01563	1.1
161.04584	1.5
166.01297	1.1
167.01999	3.0
168.99913	1.7
172.09818	1.6
188.09117	0.9
190.10901	2.0
191.99185	1.5
192.99873	1.6
196.05586	0.7
201.02606	2.4
208.02298	2.9
208.97858	1.2
211.01044	3.9
216.08768	4.6
219.01634	0.8
231.04959	0.8
234.00253	3.5
234.09863	8.0
235.01019	0.9
238.06892	3.3
241.00516	2.9
249.06172	6.1
250.98970	3.1
254.99603	0.7
255.03674	1.1
255.09451	1.5
259.01544	1.2
266.08817	12.0
271.01733	0.9
283.01767	1.9
293.00150	7.1
308.99588	1.9
311.01251	1.5
332.99670	0.7
336.99426	1.1
337.04184	5.9
379.08780	1.3
396.15137	100.0
397.05643	1.1
397.10181	2.4
397.15787	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	396.9873
Annotation	Gossypetin 3-O-sulfate
Peak:m/z	Relative Intensity
52.86287	0.5
58.37518	0.5
63.02389	2.7
65.00326	4.0
69.17032	3.3
70.51080	0.4
82.39297	0.4
83.01389	2.6
96.96024	5.6
99.98425	0.5
107.01400	9.8
109.02967	8.2
125.02459	1.7
137.02458	23.3
138.02798	0.9
151.00383	36.3
152.00703	0.8
163.00360	1.0
164.01205	0.6
165.01952	2.4
169.01424	1.5
177.27727	0.4
178.99875	27.1
180.00198	1.5
192.00702	1.1
193.01450	1.0
255.19687	0.5
257.17657	0.9
271.02493	0.8
289.03662	0.8
317.03046	100.0
317.19717	1.0
318.03421	8.5
396.98666	11.8
397.15518	3.1
397.99188	0.8
410.00104	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.0115
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	30.0
59.06362	1.3
61.98835	12.4
68.99586	4.3
69.57101	5.4
71.01395	10.8
71.90206	1.2
72.99321	11.0
73.02937	1.4
74.99381	4.2
75.75648	1.3
80.27663	1.3
83.01406	5.4
85.01472	5.3
85.02962	3.8
86.99387	1.5
87.00863	2.8
89.02456	6.0
95.01431	2.0
98.99389	1.6
99.00920	4.7
101.00966	12.5
101.02429	6.1
102.98869	5.2
111.00882	5.8
112.98573	7.2
113.02450	3.1
115.02535	2.3
117.00452	28.2
118.00450	1.5
123.03057	3.9
125.00950	17.4
125.02435	1.7
126.01144	1.4
126.98891	11.4
127.02537	3.4
129.00441	4.1
139.02525	1.8
139.99573	1.4
141.00449	15.2
143.02043	11.9
144.02242	1.4
144.99979	4.3
150.98831	1.9
153.00542	2.1
155.02118	3.3
155.03313	1.6
157.03577	42.6
158.03731	3.2
159.01512	16.5
160.01865	1.4
161.01117	1.6
161.04553	2.4
166.01295	2.0
166.98372	3.7
167.02008	27.3
167.03328	2.7
168.02190	2.4
168.99936	26.1
170.00037	2.3
170.97887	5.8
171.01472	2.8
172.01048	2.3
179.05551	1.5
180.49489	1.2
183.00046	2.0
183.01442	6.2
184.01016	2.5
192.99951	5.4
193.03531	2.6
196.05862	3.2
196.99457	1.8
198.97395	3.8
198.99474	7.2
199.01068	3.9
201.00989	1.8
201.02573	8.5
208.02267	4.9
208.97876	10.7
208.99515	1.5
211.00992	61.0
212.01160	4.8
215.00629	2.4
217.00517	2.5
225.01100	5.7
226.01157	1.6
226.98940	4.7
227.00549	5.3
234.00233	5.5
235.00957	2.1
235.04715	2.3
238.06877	18.7
239.06976	1.6
241.00545	34.6
242.00671	7.7
243.02144	4.9
245.00003	1.5
249.06024	1.8
250.99004	25.1
251.99208	4.0
255.00002	8.4
255.03716	1.5
255.08662	5.6
256.00247	1.8
259.01663	5.9
265.00510	3.6
267.02109	1.9
269.00034	1.9
271.01566	6.5
281.00015	4.0
283.01624	24.5
284.01764	4.8
285.03238	5.7
286.03384	1.6
293.00064	100.0
294.00208	19.2
299.01218	2.6
308.99582	32.3
309.99710	5.5
311.01093	11.0
312.01221	2.2
321.09799	1.2
323.00818	2.4
325.99725	8.4
327.00369	3.2
336.99182	15.4
337.03732	11.5
337.07797	2.1
337.99179	3.6
338.04330	1.8
354.99973	3.2
369.01483	2.0
397.00821	2.3
397.05408	3.3
397.10226	4.9
397.16702	4.6
398.11124	1.7
418.84103	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.0236
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00311	4.8
69.03641	10.4
72.01277	1.4
79.95750	6.2
80.96529	3.8
92.06979	1.2
93.03445	2.2
95.05037	1.1
97.02959	4.0
98.21796	3.0
105.13660	1.1
121.02985	6.6
123.04540	21.4
124.01665	30.3
137.02454	2.5
139.04027	78.9
140.04350	3.7
149.02457	31.7
151.00432	3.4
151.04019	65.5
152.01212	3.4
165.01949	27.9
166.02246	1.3
167.03462	6.4
177.01959	9.6
178.99930	6.7
193.01436	25.0
195.02994	3.6
228.97981	1.4
230.99696	100.0
231.99962	3.6
240.04295	2.9
257.04565	3.3
285.04010	2.8
289.07214	4.5
299.05573	7.8
317.06702	35.2
318.07162	2.6
369.02612	1.6
397.02359	79.0
398.02673	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	397.0628
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23457	0.9
59.01389	5.7
61.98832	2.6
69.03451	1.0
69.82181	1.5
69.82572	1.8
70.03795	0.8
71.01389	4.7
75.00872	1.5
81.94613	0.9
85.02984	1.4
87.00881	1.7
89.02452	2.1
93.03476	1.1
95.01400	2.5
98.21732	1.4
99.00884	1.4
100.80380	0.9
101.02444	2.8
108.02173	25.1
109.02958	9.9
109.03483	0.8
113.02440	1.1
117.00496	1.1
119.03526	1.5
137.02469	3.4
139.00403	1.4
141.00529	2.0
152.01155	15.0
153.00702	1.1
153.01886	6.3
164.03340	1.8
165.05560	1.1
166.01234	17.6
167.02049	17.6
168.02165	1.6
183.01523	2.0
190.01260	2.0
191.02023	1.5
191.99181	15.2
192.99948	23.2
193.03590	2.5
194.00159	2.5
195.01500	1.6
207.01520	0.9
208.02289	55.4
209.02493	6.9
214.07080	1.0
218.96028	4.4
219.01509	4.7
234.00229	67.2
235.00975	27.0
236.01164	2.4
244.92142	0.9
246.00238	1.2
247.01204	1.5
263.00497	1.5
315.07257	22.9
315.10904	1.4
316.07578	2.0
337.04184	100.0
338.04462	16.9
397.06284	35.2
397.17371	3.4
398.06546	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	397.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81307	0.6
57.03445	0.7
57.60989	0.6
59.01100	1.2
59.01384	21.2
71.01102	0.5
71.01392	6.7
71.28364	0.7
71.45840	0.6
73.02938	2.4
77.03963	1.5
79.01886	1.8
81.03436	0.9
83.01389	1.8
85.02968	3.5
89.02438	2.4
93.03439	0.7
95.05009	0.8
101.02458	6.2
103.03998	0.8
105.03477	2.4
107.01412	1.0
109.03005	1.5
111.00881	0.9
113.02429	2.3
113.49538	0.7
113.78426	0.6
119.03497	0.9
119.05037	2.0
121.02995	2.8
121.06577	0.5
123.00880	1.0
123.04540	1.7
125.02450	1.8
125.06062	1.4
127.04036	3.0
131.04980	0.7
133.06636	0.8
135.04570	0.8
137.02435	0.8
137.06084	1.2
139.04033	1.3
145.02975	1.1
147.04515	4.0
149.02431	5.2
151.04022	1.2
159.02991	0.6
161.02409	1.9
161.04562	2.1
161.06088	1.8
163.00354	1.4
163.03999	5.1
165.01907	0.8
173.02417	0.8
175.04034	1.5
176.01123	0.9
177.01984	1.1
177.05498	1.3
179.03500	1.3
187.04176	0.7
189.01918	1.3
190.02676	1.9
191.03505	35.7
192.03893	1.0
193.01430	1.3
201.01994	0.9
203.03485	2.6
204.04266	1.0
205.05063	33.5
206.05392	2.0
215.03488	1.3
217.05037	1.7
219.02969	10.4
219.06522	1.3
220.03438	0.9
231.02917	3.2
231.06651	2.6
233.04558	37.5
234.04825	3.0
235.06064	5.1
235.11833	3.2
245.04539	2.0
247.06274	1.1
249.03818	1.5
249.07675	33.0
250.07997	2.6
259.06125	1.7
263.05661	2.9
275.05554	0.9
277.07181	100.0
278.07504	8.6
288.75873	0.6
289.07251	1.4
307.08170	5.7
337.18719	4.4
353.04425	0.8
353.08798	20.7
354.09274	1.9
397.11414	51.2
398.11737	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	397.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	8.4
63.65068	1.1
71.01380	3.7
71.28391	1.7
72.99307	6.0
75.00877	46.6
78.95916	1.4
79.01886	2.5
81.03424	1.4
83.05030	1.2
89.02443	9.5
97.02953	1.4
107.05041	1.2
108.02164	2.3
109.02952	1.5
109.06599	2.1
111.04474	1.1
117.01955	3.2
123.04533	2.1
125.02408	3.1
125.06115	6.1
125.09744	1.4
135.03009	89.3
136.01622	1.4
136.03339	2.3
137.09737	1.9
139.04019	1.3
149.02473	1.9
151.03998	5.6
152.99533	1.4
155.07097	1.7
161.09778	2.1
162.10045	1.4
163.04062	2.0
165.01959	2.5
165.05376	1.4
165.09282	1.3
167.03474	1.3
177.01932	7.9
179.10733	2.0
189.09224	1.4
190.02698	4.8
193.01418	1.2
204.04297	1.4
205.01318	4.9
205.08743	4.1
206.02245	3.3
207.02946	3.2
209.08188	8.2
215.07054	1.6
223.09709	4.9
229.08665	1.2
233.08182	30.6
234.08560	2.6
235.09723	6.6
247.09848	1.3
249.07690	50.9
249.11378	2.5
250.08011	3.4
251.09277	24.7
252.09520	1.4
261.07684	100.0
262.08093	9.9
263.09308	7.2
275.09268	4.5
277.07178	12.8
278.07843	1.3
279.08713	18.2
279.11920	2.2
291.08890	1.3
305.10321	2.2
307.08395	7.7
379.10458	1.5
397.05649	1.5
397.12125	3.5
397.18536	7.0
397.22467	3.9
397.27478	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	397.154
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57835	0.3
59.01391	3.4
60.01736	0.3
65.00331	0.9
79.95739	1.3
83.01383	0.4
96.96018	100.0
97.02959	0.5
97.95978	0.5
99.08169	1.0
107.01391	1.1
109.02960	3.6
109.70546	0.3
113.09773	0.6
124.01637	0.3
136.82280	0.3
137.02467	2.9
139.04028	1.5
149.02412	0.4
151.00360	3.7
151.03966	0.5
152.03535	3.4
153.01921	1.1
155.52853	0.4
165.01949	2.0
178.01402	0.8
178.99866	3.9
182.04646	1.2
193.01364	0.4
211.17007	0.7
213.18579	0.3
230.99710	1.0
231.99217	2.6
237.18636	1.4
239.16518	1.5
253.18051	0.5
255.19661	9.2
256.19977	0.6
257.17603	21.8
258.17911	1.6
281.17526	0.9
299.18753	2.3
317.03043	12.5
317.06189	0.5
317.19724	16.9
318.03320	1.3
318.06583	0.5
318.20023	1.2
335.15356	2.5
336.15726	0.5
337.13278	2.3
341.51859	0.4
378.81009	0.4
378.85477	0.4
396.98199	1.6
397.15390	61.7
398.02081	1.0
398.15671	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	397.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	8.9
55.57523	1.1
57.03445	6.2
58.00586	2.4
59.01381	62.7
69.03433	3.0
69.53783	5.2
71.01385	97.0
72.01711	2.0
72.99307	3.6
73.02950	32.4
75.00886	1.3
83.01394	16.6
85.02953	45.8
87.00871	4.6
89.02445	20.1
93.03446	1.7
95.01385	5.6
96.96976	2.5
97.02960	2.8
98.22558	1.6
99.00886	12.0
101.02449	100.0
102.02778	2.1
113.02465	42.5
117.05557	2.7
119.03501	7.5
119.05016	1.2
122.19767	1.2
125.02462	4.6
129.01898	1.6
143.03502	4.4
159.02959	8.3
161.04556	37.8
162.04993	1.8
191.03517	2.1
234.99284	2.7
235.11870	69.3
236.12196	4.0
275.66913	1.3
277.07230	3.9
296.25757	1.2
303.31055	1.3
397.12161	2.9
397.17117	46.3
398.17413	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61574	1.4
55.01877	10.2
57.03445	6.5
58.00578	1.6
59.01380	68.6
59.98215	1.2
63.46809	1.3
71.01385	73.7
72.01707	1.5
72.99310	3.0
73.02576	2.4
73.02952	29.8
75.00880	1.7
78.95911	3.5
83.01382	15.8
85.02956	36.9
86.63725	1.3
87.00875	4.3
89.02449	21.5
95.01397	7.0
96.96964	6.5
97.02925	2.5
97.95658	1.2
99.00895	11.3
100.49227	1.5
101.02445	100.0
102.02796	2.4
113.02457	31.7
117.05581	3.9
119.03528	6.9
125.02406	1.6
129.01964	1.5
143.03494	5.7
159.02998	4.4
161.04556	30.5
175.13916	1.3
179.05681	2.9
191.03535	3.5
192.65881	1.6
235.11862	60.9
236.12302	4.3
249.07608	1.7
271.99637	1.7
277.07230	5.3
394.11230	1.5
397.11496	4.0
397.17056	36.0
397.22028	2.7
398.17776	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	397.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	8.5
57.03449	4.0
58.00593	1.8
59.01383	100.0
70.60199	2.8
71.01385	65.3
72.99289	2.8
73.02948	22.5
78.05993	1.5
83.01397	13.6
85.02468	2.9
85.02956	31.6
87.00864	2.5
89.02464	15.6
94.91950	1.6
95.01397	6.6
95.15159	1.3
97.02944	2.6
99.00896	9.0
101.02453	83.0
102.02808	2.6
113.02457	28.5
119.03519	8.6
125.02422	1.5
131.03531	1.7
133.33820	1.4
143.03522	4.3
149.02516	1.6
154.07271	1.5
155.11768	1.4
159.02977	3.4
161.04553	27.8
179.05559	1.9
191.03516	2.7
205.05104	2.7
233.04671	3.0
235.11876	55.9
236.12164	3.5
249.07591	3.2
277.07266	11.7
306.27737	1.5
337.18747	13.0
397.11667	4.6
397.17096	32.1
398.17484	2.9
398.96799	1.5
402.73795	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	397.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	9.5
57.03449	7.1
58.00600	1.8
59.01383	59.9
61.98878	1.2
63.07199	1.3
68.54280	1.0
69.03447	1.6
69.19987	7.6
71.01385	91.0
71.58170	1.0
72.01721	1.4
72.99299	3.9
73.02953	34.6
75.00844	2.1
83.01393	18.7
85.02959	47.8
87.00877	4.8
89.02454	18.7
93.03481	1.2
95.01408	7.4
96.96943	2.6
97.02958	3.4
99.00890	12.8
101.02451	100.0
102.02789	2.0
111.00887	1.8
113.02466	40.9
117.05573	2.6
119.03519	8.1
125.02457	4.8
129.01959	2.4
143.03510	4.7
159.03012	7.4
161.04567	42.2
179.05696	2.6
187.62114	1.4
191.03523	2.3
234.99176	4.7
235.11876	67.2
236.12181	5.1
277.07098	3.4
295.51312	1.2
397.11884	2.7
397.17117	47.7
398.17557	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	397.1869
Annotation	Cinncassiol E
Peak:m/z	Relative Intensity
58.00584	1.9
59.01365	1.4
63.07228	1.1
69.49002	7.0
71.01379	1.2
87.04518	4.4
98.22491	1.8
113.06093	5.2
137.09727	4.0
164.60208	1.5
165.05644	1.6
191.14429	2.9
191.44557	1.2
213.41554	1.3
216.00179	1.2
220.53783	1.2
243.17467	3.2
257.15460	12.7
261.11380	9.1
273.18607	10.6
275.16495	3.6
291.19824	2.7
300.00043	1.5
309.20773	4.0
325.66211	1.4
335.18637	39.8
336.18890	3.6
353.19635	6.1
361.16537	2.6
379.17624	16.4
380.17972	2.3
397.18674	100.0
398.19022	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	397.2234
Annotation	Neorustmicin B
Peak:m/z	Relative Intensity
52.04480	2.4
69.72814	3.3
69.73161	11.2
71.05018	3.4
82.45910	2.7
83.05006	2.6
97.06593	16.2
123.08144	10.5
123.56841	2.5
125.09727	73.6
155.10701	3.8
173.11838	65.9
174.12172	3.3
179.10750	2.7
187.09698	3.5
197.11830	96.3
198.12190	3.8
268.82639	3.0
278.86108	2.8
283.68817	2.9
353.23459	30.4
368.19559	2.6
379.21332	4.3
384.60397	2.6
397.22351	100.0
397.26892	5.5
398.22644	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	397.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	4.7
59.01374	2.0
61.98822	2.5
62.35505	1.7
69.03451	4.5
69.47176	1.4
71.01378	1.9
71.05013	2.9
90.73119	1.8
97.06590	10.5
123.08163	7.1
125.09735	45.3
127.11240	2.7
139.11241	1.9
151.11397	2.3
153.12802	3.1
155.10800	4.2
173.11838	52.4
179.10744	2.8
187.09755	2.8
197.11845	83.2
198.12173	4.0
250.64696	1.6
281.72665	1.8
335.22198	2.7
353.23364	14.1
362.88574	1.7
365.27368	2.2
397.22284	100.0
397.26334	3.6
398.22675	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	398.327
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95735	1.5
88.04048	100.0
89.04380	1.1
90.25464	0.4
96.96014	7.5
98.95599	0.6
122.97625	0.6
229.16130	0.4
242.17632	49.1
243.17958	2.5
369.33603	0.4
380.31818	0.6
380.59381	0.5
398.23044	9.8
398.32748	5.6
399.22797	2.0
399.28558	0.6
399.34247	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0029
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07070	0.7
57.03452	4.0
63.02414	1.4
65.00335	2.5
69.42323	2.9
69.42729	1.6
83.01398	3.1
93.03463	1.1
98.22488	1.6
107.01361	3.7
108.02212	3.7
109.02965	3.4
111.00928	0.8
111.04576	0.7
121.02957	2.2
123.00860	1.7
123.04574	1.8
124.01653	1.7
125.02459	40.3
126.02759	1.0
137.02443	7.8
139.04044	5.1
142.85588	0.8
147.00844	3.9
151.00395	17.4
152.01137	3.3
153.01955	14.4
159.04567	1.1
165.01944	8.4
166.02789	1.4
167.03502	11.6
170.33502	0.8
173.02499	1.0
175.00380	22.9
177.02028	0.8
178.99879	15.8
181.01422	3.2
185.02528	1.8
187.04031	1.3
189.01962	2.5
190.02708	5.0
191.03520	10.5
193.01428	100.0
194.01703	5.2
205.05193	1.3
213.05614	1.2
215.03528	9.1
217.01440	1.7
218.02164	3.9
228.00584	1.1
229.01389	2.3
229.04990	0.9
233.04509	2.9
239.03458	1.2
245.00894	5.0
246.01643	1.0
246.99146	3.4
257.00980	3.4
257.04510	5.6
273.00430	12.1
274.01212	32.3
275.01974	13.0
283.02512	0.9
301.03622	14.8
302.03873	1.2
317.03003	2.6
319.04587	16.9
399.00223	55.6
400.00504	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	399.0358
Annotation	Unknow
Peak:m/z	Relative Intensity
68.37897	0.5
69.11145	1.1
69.11548	2.7
71.85713	0.5
76.44718	0.5
78.49715	0.5
78.95905	0.6
94.82658	0.6
97.01659	0.5
98.22557	1.1
106.04276	0.8
117.03455	0.7
125.02451	2.5
133.03036	0.6
145.02969	2.5
146.03720	1.0
147.04573	0.6
151.00398	0.5
161.02437	2.1
162.03331	0.9
165.01953	0.7
166.86398	0.6
167.03458	1.0
173.02448	3.9
174.03157	1.0
175.00340	1.6
175.04045	0.7
175.07780	0.6
177.01839	0.7
178.99901	0.9
185.02470	1.2
189.01945	10.5
190.02724	18.7
191.03293	1.2
193.01404	5.3
200.01132	2.4
201.01979	2.7
202.02643	3.1
203.03545	1.0
206.01880	0.6
213.01799	1.1
217.01427	5.0
218.02205	13.1
219.02765	0.7
222.01715	1.7
228.00682	4.5
229.01436	7.9
230.01994	0.8
242.02205	0.5
245.00899	15.5
246.01564	2.3
247.02521	0.6
256.00372	0.9
257.00909	12.8
258.01563	1.8
259.02396	3.2
273.00415	38.1
274.01205	100.0
275.01935	44.5
276.02335	2.9
301.03564	1.1
319.04688	0.9
398.18942	1.4
399.00012	2.4
399.03723	2.5
399.19208	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0723
Annotation	Theaflagallin
Peak:m/z	Relative Intensity
50.69035	0.5
57.03437	1.2
60.49781	0.5
60.63430	0.5
68.97208	0.4
68.99493	4.4
81.03422	0.5
93.03456	1.1
97.02950	1.2
97.51926	0.5
109.02940	1.1
117.03455	0.7
119.05040	0.6
121.02946	1.3
121.06612	0.9
123.00906	0.5
125.02435	5.7
131.05051	3.5
133.02974	0.8
133.06595	1.6
133.35521	0.6
135.04489	0.6
137.02451	5.9
138.03299	0.5
139.04056	1.0
143.05011	1.5
146.03690	0.7
147.04526	0.7
149.06053	1.7
151.04012	1.2
159.04532	11.1
161.02443	1.1
161.06108	1.9
162.03134	0.8
163.03923	0.7
165.01945	11.7
166.02354	1.1
167.03441	0.7
171.04533	1.2
173.02458	0.6
175.04041	2.6
177.01918	0.9
177.05519	1.5
187.04015	45.3
188.04501	5.1
189.01910	1.7
189.05595	4.1
190.02689	1.8
191.03502	1.5
197.06166	0.6
199.03996	1.7
203.03493	6.7
204.04279	4.7
205.05066	20.3
206.05389	1.3
207.02985	5.1
213.02020	0.5
213.05482	0.9
215.03499	13.5
216.04080	0.8
217.01466	0.7
217.05022	1.4
219.02957	2.2
227.03502	2.2
231.02979	4.5
232.03758	2.4
233.04550	100.0
234.04903	5.6
237.11266	1.3
241.05081	2.3
242.05632	0.6
243.02934	1.5
245.04605	2.8
255.03082	2.9
256.03583	0.8
259.02509	1.4
260.03268	2.6
261.04034	19.0
262.04456	1.0
267.06711	0.9
271.05798	0.8
273.04044	6.1
274.04492	0.7
285.07724	0.8
294.05609	0.6
295.06207	2.8
297.03976	0.8
309.07822	0.8
313.07208	2.5
327.08826	0.8
328.09201	0.6
331.08252	1.1
337.07181	2.2
355.08026	2.4
363.05161	0.6
381.06238	4.3
399.07263	26.8
400.07617	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	399.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04395	0.5
57.03449	1.4
61.28294	0.6
73.05880	0.5
83.01390	1.3
85.02962	0.6
92.00853	0.5
93.03444	0.7
94.70250	0.5
97.02970	1.7
109.02923	1.2
121.02975	0.7
123.00900	0.5
125.02457	6.9
131.05034	3.2
133.06615	1.7
135.04489	0.7
137.02464	6.9
138.95306	0.6
139.04071	0.6
145.39844	0.5
147.00954	0.5
147.04523	0.8
149.06058	1.6
156.37416	0.5
159.04532	10.0
160.05287	1.0
161.02457	0.7
161.06082	1.3
162.06491	0.7
164.01122	0.6
165.01936	11.0
167.03534	1.4
174.89343	0.5
175.04036	3.2
177.05608	2.1
179.03490	1.0
187.04013	40.9
188.04543	4.2
189.01973	1.2
189.05537	3.4
190.02731	1.4
191.03508	1.2
192.00731	0.6
193.01405	1.3
197.02521	0.7
199.04025	1.2
200.31528	0.6
203.03459	5.7
204.04279	3.5
205.05051	19.1
206.05374	1.3
207.03001	5.4
215.03510	13.6
216.04010	1.2
217.05035	0.8
219.03064	2.8
227.03459	1.6
231.03029	4.2
232.03673	3.1
233.04555	100.0
234.04897	5.6
236.03239	0.9
241.05049	0.7
243.02995	1.0
243.06696	0.6
244.03653	0.6
245.04472	2.8
253.04848	0.9
255.03032	3.1
256.03635	1.0
259.02487	1.9
260.03253	2.0
261.04050	20.2
262.04428	1.1
267.06415	0.8
268.83670	0.7
271.06143	1.2
273.04034	6.4
274.04288	0.8
277.04755	0.8
285.07733	0.7
295.06082	2.1
297.04297	0.7
303.08405	0.6
309.07776	0.9
313.07248	3.5
315.04904	0.8
317.03119	1.2
319.03622	0.8
327.08865	1.0
337.07285	2.5
355.08313	3.5
363.05234	0.7
381.06204	4.3
381.61624	0.6
382.06342	0.9
399.07227	25.4
400.07520	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	399.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.5
58.23245	0.5
59.39579	0.5
69.15672	4.4
69.15979	0.6
71.05017	1.4
81.03461	11.3
83.01397	2.6
95.01415	0.7
95.05030	6.4
97.02949	3.0
98.21732	0.6
99.04522	12.3
99.05122	1.0
109.02934	1.0
111.04523	1.7
123.04517	5.7
125.02452	32.0
126.02792	0.9
137.02440	5.2
139.04057	4.1
139.70129	0.6
151.03995	1.6
159.27934	0.6
167.03499	100.0
168.03842	4.2
179.03503	1.6
181.16101	0.6
197.04547	25.8
198.04791	1.0
209.04468	0.9
221.04790	0.6
237.07677	0.9
269.06686	1.9
279.08740	18.4
280.09122	0.9
287.07739	10.1
291.08551	0.7
304.28043	0.6
309.09814	4.1
310.09781	0.7
360.78348	0.7
381.11783	0.8
399.13013	10.3
400.13315	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.13
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13223	1.4
59.01374	3.5
69.28245	5.6
69.28654	3.6
69.99491	1.4
71.01389	3.3
73.26120	1.5
79.05515	2.2
81.03461	7.0
87.04536	7.7
93.03446	4.3
123.04536	100.0
124.04877	5.0
125.02419	2.1
125.09731	7.8
127.00285	1.9
133.02954	1.9
137.02443	6.1
145.02913	2.0
147.04529	4.5
149.09679	6.6
161.02419	3.5
178.32535	1.5
189.01926	5.9
190.02728	8.8
193.01414	3.6
193.08696	62.3
194.09030	2.6
203.03493	2.2
204.92555	1.8
217.01353	2.9
218.02180	6.4
228.00616	2.1
229.01439	4.6
237.04013	1.8
237.07668	2.5
245.00873	6.8
257.00900	6.3
273.00418	17.4
274.01196	50.9
275.01892	20.4
276.02377	1.7
327.59995	1.5
353.76166	1.6
380.23340	1.8
398.99637	1.8
399.13016	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	399.1301
Annotation	Zuclopenthixol
Peak:m/z	Relative Intensity
52.42603	0.3
56.35653	0.3
59.01360	0.5
62.83772	0.4
71.01387	0.9
81.03457	1.7
83.37688	0.3
85.02946	1.2
87.65720	0.4
93.03470	0.4
95.01417	0.8
95.05027	0.5
97.02939	0.5
99.04506	1.0
101.02492	0.4
101.06091	3.7
107.01369	0.4
108.02186	100.0
109.03004	18.4
110.03309	0.4
111.00865	0.8
121.02957	0.9
123.00881	1.0
123.04523	1.2
125.02457	2.5
126.02839	0.3
133.02931	0.5
135.00908	0.5
137.02446	1.1
138.03256	0.7
139.04030	0.9
151.04028	1.9
152.01169	50.3
153.01961	16.8
153.09332	0.4
154.02258	0.4
163.04033	1.3
165.01933	0.9
167.03519	6.9
179.03445	0.4
195.02838	0.4
197.04662	1.8
197.54100	0.4
209.08125	0.4
209.96751	0.4
222.09006	3.0
224.93089	0.4
237.11372	5.2
239.99707	0.4
266.38065	0.3
279.08765	1.0
399.12976	56.7
400.13309	6.7
408.40234	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1298
Annotation	Zuclopenthixol
Peak:m/z	Relative Intensity
59.01383	9.9
65.67741	0.6
67.01900	1.0
71.01387	5.6
71.28690	1.3
72.44268	0.6
72.99296	1.2
73.02943	1.1
79.01911	0.9
83.01389	1.3
85.02969	2.0
85.43974	0.7
89.02451	3.5
93.03468	21.9
95.01400	2.7
97.02953	0.9
99.00884	0.9
101.02446	3.7
107.01412	3.2
111.00883	2.9
113.02415	1.5
113.32056	0.6
121.02907	0.7
123.00893	16.4
124.01695	1.4
125.02464	17.0
127.00377	1.1
136.98793	1.8
137.02458	32.2
138.02795	1.0
139.00365	7.0
140.01199	4.5
141.01923	2.0
151.00383	14.2
153.02023	0.7
168.00661	5.1
169.01434	20.7
170.01823	1.1
193.01442	1.0
211.02461	2.2
271.04645	2.0
313.05685	1.5
367.15234	0.7
399.12979	100.0
400.13324	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	399.1451
Annotation	CHEMBL1821994
Peak:m/z	Relative Intensity
50.54352	0.5
69.30701	0.5
111.04527	1.9
164.10951	0.6
243.02832	0.5
257.04593	1.5
258.05338	1.4
271.09756	2.1
275.12756	1.3
275.16745	0.5
282.08951	0.7
285.04178	1.1
285.07556	0.8
295.06110	2.8
296.06747	0.9
299.09262	1.6
310.08548	3.6
311.09079	1.3
313.07220	1.9
314.07910	2.3
327.08609	1.7
328.09549	10.1
329.10257	2.1
341.06772	0.8
345.20706	21.5
355.08310	2.7
355.12106	0.9
356.08981	1.1
366.11261	2.7
381.13504	7.5
382.13809	1.2
384.12234	1.0
399.14529	100.0
400.14838	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	399.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	52.9
61.96754	11.7
61.98829	20.2
70.97032	22.7
71.01395	90.7
72.99309	41.6
81.26279	13.2
85.02935	19.2
87.00863	32.4
89.02466	27.7
92.96056	11.6
96.07728	10.1
101.00982	64.1
101.02448	19.7
103.04024	21.9
113.00951	48.4
114.98895	13.9
115.00330	17.4
115.02501	36.1
117.00403	20.9
123.10884	11.3
125.00997	13.7
126.98872	65.2
127.02545	100.0
129.00473	21.6
131.01994	18.3
137.48381	12.2
139.02550	25.8
139.82971	13.8
141.00446	14.2
143.02011	53.1
147.02965	39.2
153.00450	59.6
154.98399	17.5
155.02020	54.0
162.68881	13.6
168.99957	20.7
180.99910	19.6
185.01378	12.8
202.98769	17.1
210.02057	16.0
213.00961	14.7
227.02577	25.8
236.00441	17.6
236.41241	11.5
238.98802	14.9
239.02614	48.5
241.04170	72.0
253.00510	45.5
255.02130	36.3
255.05644	16.2
257.03662	21.5
265.00571	13.4
267.02216	17.6
269.03693	55.8
270.03699	12.6
273.03189	14.4
281.00082	66.5
283.01437	18.3
287.04553	16.5
308.99527	63.9
309.99701	17.1
313.02863	58.8
323.00931	14.9
339.04062	27.6
341.02094	32.0
355.03647	18.1
356.04013	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	399.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60826	1.2
55.01847	2.4
55.88329	1.2
57.03432	2.2
58.00574	4.4
59.01380	100.0
62.65353	1.3
65.41366	1.1
69.08245	5.4
69.08682	5.5
71.01386	63.9
72.99271	4.1
73.02930	3.1
74.12511	1.1
76.37945	1.3
79.05511	1.5
81.03463	8.6
83.01373	3.2
85.02960	13.8
87.00861	2.9
89.02452	69.0
95.01348	3.7
97.02943	1.7
99.00867	2.2
101.02451	37.3
103.04023	1.3
109.02918	1.8
111.00863	1.9
113.02462	22.4
114.66411	1.3
117.03467	6.8
117.54539	1.6
119.03504	30.4
119.04961	4.6
120.99668	16.3
121.02840	1.9
122.03746	2.2
123.04529	48.9
124.98969	1.3
125.02409	3.6
125.09737	2.7
131.03462	3.8
135.04488	4.0
137.02423	2.7
137.06145	5.8
143.03471	3.5
143.45061	1.4
145.02983	10.2
147.08025	1.3
149.04468	1.4
149.09656	3.3
151.07590	1.7
159.04485	2.1
161.02390	5.4
161.04475	2.6
163.04007	6.6
165.05487	2.7
167.03423	4.9
173.05986	4.0
174.06857	8.8
175.07547	1.3
175.11320	11.6
179.03482	1.9
179.05550	7.3
187.07668	1.8
188.62363	1.3
189.09238	7.5
193.08705	57.2
194.08986	3.6
200.64644	1.3
201.05104	1.3
203.07014	2.2
204.07901	9.6
207.10237	3.2
219.06548	4.6
219.10260	31.3
220.10550	2.7
233.08096	3.8
235.09764	20.1
236.10085	1.9
237.07593	3.3
237.11133	4.6
243.40623	1.2
251.11240	2.5
259.06116	12.0
265.10620	1.6
279.08829	2.1
355.13742	4.1
361.38409	1.4
399.07715	2.2
399.12738	41.6
400.13083	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	399.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46721	0.2
55.01853	1.6
58.68887	0.3
59.01372	0.7
69.52457	1.5
71.01381	0.4
73.02969	0.4
79.01897	0.5
81.25336	0.2
83.05059	0.3
85.06598	6.1
90.05581	0.3
97.02958	3.5
98.21844	0.3
99.08109	0.3
101.02447	0.3
101.06087	5.2
101.64413	0.3
107.05012	0.4
109.06589	2.1
111.04520	7.4
125.06094	0.7
135.04517	0.7
137.09731	1.0
138.03287	0.3
149.06113	0.4
151.03940	0.3
152.04814	0.7
153.05586	100.0
154.05925	4.3
165.05550	0.3
167.07130	0.8
177.05576	6.5
179.03494	0.5
180.04288	0.8
187.27487	0.3
191.06978	0.4
193.12329	5.2
194.12752	0.5
195.06673	1.1
207.06622	1.0
219.06535	1.3
219.10324	0.5
235.09674	0.4
237.11328	42.3
238.11664	3.0
297.09824	4.7
315.10962	0.9
330.25305	0.3
371.28290	0.3
399.16483	3.7
400.16858	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51383	1.6
54.50844	1.3
54.77262	1.6
54.85074	1.3
55.01883	2.8
57.03453	1.9
58.00578	4.4
59.01382	100.0
60.01706	1.9
68.12868	1.8
69.18734	9.3
71.01388	51.6
72.99310	3.8
73.02934	3.8
75.00874	2.3
79.94555	1.4
81.03475	1.8
83.01398	3.7
85.02950	12.7
87.00909	3.4
89.02451	56.1
89.22873	1.7
93.03482	4.0
95.01402	5.6
98.53266	1.9
99.00911	2.3
101.02449	44.6
109.03006	2.1
111.00921	1.8
111.04526	5.2
113.02464	22.6
117.05592	8.0
119.03514	28.7
123.00871	4.5
125.02460	11.2
131.03502	2.3
135.03014	4.7
137.02461	3.9
143.03513	4.4
149.04572	2.1
151.04105	2.0
161.04567	3.0
166.99866	1.9
167.03516	3.6
169.01439	11.9
179.05611	3.9
182.02214	2.8
183.06642	3.3
191.07140	1.9
193.08702	2.7
197.04581	2.2
204.07753	7.4
205.08714	3.8
207.06660	3.2
219.06700	2.2
219.10262	8.9
225.07732	3.6
237.07712	4.2
241.03610	2.3
249.07776	5.5
251.05775	2.1
262.04089	3.9
280.14630	1.4
309.09644	2.2
353.08762	5.5
381.08386	2.6
398.62427	3.3
399.08954	7.3
399.12979	12.1
399.17026	70.8
399.63052	12.8
400.17001	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	399.166
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16037	0.2
55.01886	0.9
57.03436	0.2
59.01383	1.1
65.22843	0.2
69.17965	1.3
69.18382	0.5
71.01385	0.7
73.02976	0.3
79.01890	0.4
83.05051	0.3
85.06596	6.2
89.02443	0.3
96.62068	0.2
97.02950	2.8
101.02497	0.3
101.06088	5.5
107.04988	0.3
108.02131	0.2
109.02966	0.4
109.06593	2.3
110.13720	0.2
111.04530	8.5
112.04881	0.3
113.02464	0.3
123.04546	0.4
125.06077	0.6
135.04518	0.7
137.09715	1.2
138.03226	0.5
149.06105	0.4
150.06908	0.3
151.04031	0.5
152.04753	1.1
153.05585	100.0
154.05933	4.2
161.04610	0.4
162.03145	0.3
167.07120	0.7
177.05571	6.0
178.05978	0.3
179.03467	0.8
179.07080	0.3
180.04240	0.3
191.07141	0.4
191.10764	0.4
191.14439	0.2
192.04243	0.5
193.08766	0.3
193.12332	5.1
194.12627	0.2
195.06601	1.1
207.06708	1.5
219.06575	1.3
219.10263	0.4
231.06712	0.3
237.11331	44.9
237.15176	1.1
238.11674	3.2
275.05383	0.3
279.08572	0.4
297.09818	5.9
298.10184	0.4
315.10800	0.5
333.01398	0.2
371.27701	0.3
382.55084	0.2
399.11322	0.4
399.16446	4.6
400.17157	0.5
401.97137	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1813
Annotation	Gomisin L1 methyl ether
Peak:m/z	Relative Intensity
54.37315	0.4
69.14944	2.9
71.66502	0.4
91.18797	0.4
92.10998	0.7
96.23978	0.4
168.49420	0.4
172.82986	0.4
279.89056	0.5
297.07687	1.5
298.08420	2.4
299.09308	2.5
323.09262	1.4
325.07196	6.4
326.07913	4.9
327.08432	0.8
328.09073	0.4
341.10303	100.0
342.10660	10.6
370.10355	0.4
399.18167	71.2
400.18430	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	399.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91615	0.2
70.86407	0.5
79.95744	1.0
95.85677	0.2
95.95229	0.3
96.96021	33.3
100.13076	0.2
103.17187	0.2
103.41190	0.2
125.09710	0.3
204.18930	0.2
317.70386	0.2
344.60269	0.2
399.18475	100.0
400.18811	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37736	0.9
57.03437	2.2
59.01381	4.7
61.98821	3.0
62.07642	1.0
69.29972	0.8
69.57076	2.1
69.57465	2.6
76.41677	0.9
97.02943	4.5
97.06596	6.0
98.21797	1.3
99.00889	1.9
109.06610	1.4
110.03759	1.0
123.08199	4.4
123.33306	0.9
125.09737	38.0
127.11304	3.3
142.02762	1.9
155.10794	3.1
163.11330	5.8
173.11838	46.1
174.12180	2.1
181.10817	1.5
181.12360	28.3
182.12627	1.4
183.10378	1.3
187.09766	4.4
193.12367	2.7
197.11908	2.0
201.11342	5.0
207.10286	35.4
208.10576	1.8
211.13380	5.2
215.12863	1.2
225.11348	28.8
226.11595	2.5
281.21133	1.3
290.20853	1.1
337.23932	8.9
357.22867	2.9
363.21799	10.3
364.22443	1.7
381.22864	100.0
382.23117	13.7
399.23941	25.6
399.28693	2.2
400.24304	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	399.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90008	0.7
55.11907	0.8
57.03438	1.9
57.83952	0.6
67.25329	0.7
69.03444	1.4
69.17767	3.6
69.18170	1.5
71.05017	3.1
81.03487	0.7
83.05058	0.8
92.32987	0.7
97.02953	2.5
97.06586	6.5
99.00890	11.0
123.08169	4.1
125.09737	34.0
126.10110	1.8
127.11288	1.8
139.11307	1.1
155.10805	1.7
155.14389	1.0
163.11279	3.7
173.11826	20.8
174.12204	2.4
181.12378	7.4
183.13956	1.3
185.15533	1.3
187.09773	8.2
193.12335	1.6
197.11807	1.8
199.13472	11.7
207.10289	19.6
208.10509	1.1
211.13458	3.7
212.43307	0.9
221.11876	0.8
225.11336	19.2
226.11655	0.8
229.14429	6.0
233.58656	0.7
243.12386	3.1
281.21286	1.3
285.54919	0.8
337.23645	1.6
355.23785	0.8
363.21774	5.1
381.22842	14.1
381.27554	1.4
399.23871	100.0
400.24200	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	399.3482
Annotation	AKD 2D
Peak:m/z	Relative Intensity
54.41662	1.7
70.55054	3.9
89.10376	1.8
92.29762	2.1
106.89217	1.9
113.09721	2.2
113.96491	2.1
116.43574	2.1
141.12898	1.8
142.16017	1.8
157.08736	2.5
183.58070	1.9
211.87851	2.1
227.72075	2.1
255.76164	2.0
278.84561	2.0
381.33746	3.9
397.32950	3.2
399.34793	100.0
400.34976	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	399.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
67.62754	5.8
67.69740	5.8
72.09039	5.5
72.99316	39.9
75.00874	6.9
78.46045	5.8
117.82729	8.3
202.52231	5.5
217.48222	6.1
247.09862	8.5
355.26437	12.8
372.86917	5.7
399.25375	18.0
399.34744	100.0
400.35147	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	400.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	9.9
69.36571	43.6
72.01613	7.1
97.06554	8.1
121.02931	14.9
150.28537	7.9
168.14822	7.7
171.10243	12.2
181.06654	8.0
182.23325	7.9
211.13393	24.3
229.14444	13.6
237.30725	7.2
285.05841	25.7
314.37939	8.4
327.21750	100.0
329.23340	30.9
362.82025	8.0
401.14224	29.4
420.00171	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	400.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92363	0.7
66.29538	0.7
68.99831	1.0
71.28481	0.9
71.72211	0.7
76.07776	0.8
80.20769	0.8
85.00443	0.8
96.00900	1.0
97.02943	2.5
98.02487	11.6
113.01183	2.1
121.02966	31.9
122.03275	1.1
152.03545	3.3
153.04291	0.9
168.21851	0.7
185.03249	2.7
188.89929	0.7
194.08203	1.5
243.41342	0.8
251.85899	0.8
268.10416	0.7
278.17636	100.0
279.17877	8.8
300.97476	0.7
313.23871	1.0
367.84561	0.8
368.61862	0.8
382.20297	1.6
400.21185	8.6
400.25656	1.0
401.08838	1.1
401.26797	1.1
405.61841	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1092
Annotation	10-Dehydrogardenoside
Peak:m/z	Relative Intensity
57.03443	1.5
59.01096	0.7
59.01380	11.7
69.32507	3.6
71.01388	9.0
72.99291	1.1
73.02952	10.2
81.03439	1.7
83.01392	1.0
85.02946	6.6
87.00902	0.8
89.02471	4.0
93.03469	1.8
95.01397	4.7
97.02922	0.9
99.00904	1.3
101.02451	5.1
103.04035	4.8
107.05043	0.9
108.02184	78.5
109.02970	62.8
110.03265	2.1
113.02514	3.5
119.03487	2.4
121.02905	0.9
123.00923	3.5
125.02460	1.2
133.02946	0.9
135.00819	1.2
135.04543	1.0
137.02458	3.6
147.04535	0.7
149.09727	1.2
151.03996	2.1
151.07648	1.1
152.01164	71.3
153.01961	28.2
154.02348	1.3
161.04591	2.1
163.04063	1.4
165.01845	1.8
167.07104	2.7
168.18808	0.7
177.09212	2.6
187.32112	0.7
203.10777	1.2
209.08707	0.9
209.11818	0.9
221.08253	0.8
221.11823	2.4
237.90178	0.8
239.05606	0.9
239.09198	1.7
239.12825	1.8
315.07458	0.9
371.09772	2.5
372.10330	0.8
372.77905	0.7
383.09711	6.4
384.10217	1.0
401.10840	100.0
402.11221	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	401.109
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.8
59.01097	1.5
59.01384	22.5
68.99809	1.9
69.03453	1.9
69.46090	7.1
69.46389	2.0
69.94531	1.1
71.00986	1.3
71.01382	26.8
72.99309	5.3
73.02940	2.0
75.00876	20.5
83.01438	1.1
84.86497	1.0
85.02955	25.5
85.11327	1.1
87.00896	10.7
89.02458	6.0
93.03438	1.4
95.01380	6.3
99.00880	12.2
100.20192	1.1
103.00385	2.1
106.04222	3.3
107.05039	12.9
108.02187	2.5
111.00864	1.9
113.02451	32.0
115.00371	2.6
117.01958	4.3
121.02959	4.3
123.04537	5.0
123.90380	1.2
129.01967	2.2
133.02962	9.8
140.74126	1.4
151.04010	22.9
157.01396	1.8
163.89696	1.1
175.02480	3.4
182.72295	1.2
205.07233	1.5
216.89751	1.2
225.07565	1.6
231.05138	2.0
249.06169	35.4
250.06509	1.6
267.07205	66.6
268.07593	3.3
279.39731	1.2
383.09772	2.1
401.10901	100.0
402.11298	11.8
407.54538	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16914	2.0
57.03436	4.7
59.01381	16.5
61.58757	1.9
68.99812	3.5
69.54259	9.6
69.54533	2.5
71.01385	28.7
72.99307	6.4
73.02934	3.0
75.00875	14.8
83.01390	2.3
85.02962	23.0
87.00880	31.5
89.02447	9.2
93.03487	1.8
95.01391	5.6
96.44610	1.8
99.00872	8.8
101.02443	3.7
103.00387	2.9
106.04306	3.1
107.05030	9.0
108.02143	5.2
109.02935	3.9
113.01728	4.0
113.02453	30.9
115.00364	2.2
117.01908	3.4
121.02946	2.8
123.00909	2.3
123.04507	4.5
129.01949	2.8
133.02956	8.3
149.02435	2.4
149.15594	1.9
151.03986	14.4
152.01134	3.2
153.01981	2.5
160.05801	2.1
161.02431	2.2
163.04028	5.3
164.04781	4.3
166.02705	4.3
175.02480	2.2
176.04771	2.3
177.01787	1.8
178.06392	4.4
178.98048	2.8
179.03561	3.7
179.07144	9.9
181.05081	4.8
184.51727	2.0
191.03485	3.3
191.05550	4.7
193.05112	3.0
194.05812	3.4
202.02257	1.7
206.05873	3.2
207.04869	2.0
207.06636	2.4
209.08160	4.4
221.04483	2.4
221.40508	2.2
225.07552	2.2
227.78206	2.2
249.06093	23.4
265.07162	20.1
267.07205	50.5
277.07187	6.1
295.08270	16.0
325.09088	2.8
341.10760	6.8
355.10571	2.5
360.79843	2.1
383.09970	3.3
401.10892	100.0
402.11011	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	7.4
57.03458	6.5
58.00603	2.1
59.01385	42.8
59.18883	1.1
69.26603	4.1
69.27010	4.4
69.64504	1.4
71.01389	99.2
72.01717	1.3
72.99296	2.2
73.02953	39.9
75.00868	2.5
79.01866	1.3
81.03458	2.0
83.01385	13.7
84.02964	1.2
85.02959	45.0
86.00094	1.3
87.00885	5.9
89.02452	21.9
95.01403	7.2
97.02962	5.2
98.22554	2.5
99.00881	21.8
99.04556	1.4
101.02454	72.2
111.00902	2.0
113.02457	34.2
115.04022	4.4
125.02426	7.3
126.88912	1.2
129.01956	1.5
131.03485	3.7
143.03488	2.8
149.04597	1.9
159.02995	8.8
161.04575	60.1
174.77640	1.5
195.10213	2.4
233.06682	7.2
239.09351	1.8
269.10324	100.0
270.10675	8.3
293.08734	3.1
401.14560	78.6
402.14972	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	401.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.1
57.03456	1.1
59.01387	8.6
68.99802	1.9
71.04999	0.8
71.28448	1.1
75.00871	1.4
77.83989	0.7
79.01903	1.6
83.05033	1.1
85.02947	5.6
85.06586	4.4
87.04507	2.7
95.01353	1.4
95.05035	5.1
95.73441	0.9
97.06583	1.4
99.00875	1.4
99.04583	0.8
107.05020	0.9
108.02155	1.3
109.02940	2.2
109.06629	0.9
111.04533	15.3
111.08166	2.0
113.02431	2.6
113.06088	5.2
113.09750	1.8
121.02971	8.5
122.03755	1.0
123.04486	4.6
123.08133	2.9
125.02470	11.4
125.06062	1.0
125.09740	1.5
127.11268	2.1
131.07146	8.0
137.02464	2.0
137.06131	1.3
139.04007	1.6
139.07625	2.4
145.16968	0.9
148.05293	4.9
149.02414	1.6
149.06039	2.3
151.00380	1.8
151.04002	3.8
151.07726	1.2
153.12881	1.8
155.07162	2.4
158.02214	1.3
162.06787	0.8
163.03972	1.7
165.09262	1.0
167.03523	6.5
173.06041	1.5
173.11856	1.6
174.06810	1.3
175.07628	1.4
177.05560	8.9
177.09161	1.6
179.07155	11.9
180.04320	1.3
181.05069	4.8
183.06622	16.2
189.05432	1.2
189.09154	1.4
191.07069	1.2
192.07942	2.7
193.08696	2.1
195.06638	100.0
196.07024	5.7
197.11839	1.7
205.05002	2.3
207.10266	1.4
209.08261	1.6
214.04802	11.9
215.07095	3.9
216.07843	1.0
217.08661	2.4
218.09450	1.0
219.06601	1.9
221.08141	2.0
221.19119	1.1
229.08705	3.3
230.09622	4.5
235.09724	1.8
237.07675	11.9
238.08244	1.6
239.20189	1.3
241.21709	1.9
245.11801	4.3
254.09447	1.0
257.21115	1.9
269.21149	1.7
271.09894	1.8
273.21262	1.1
283.19000	2.0
285.20682	1.3
287.22299	71.6
288.22665	6.1
289.10843	16.3
290.11334	1.2
301.20181	1.3
313.07199	1.9
317.10144	1.1
329.19812	2.1
341.13953	6.0
355.15387	1.0
357.17172	9.0
358.17554	1.1
359.14835	3.5
383.14841	1.2
398.31265	1.0
400.33188	1.4
401.16019	94.9
401.24808	4.2
401.29623	17.4
401.33978	1.6
402.16315	13.9
402.20731	0.6
402.29495	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	401.182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74165	1.1
59.01384	100.0
59.99831	1.1
60.01715	1.3
63.68865	1.0
69.02358	8.5
69.02767	1.5
71.01391	22.7
72.99302	1.4
85.02975	2.4
87.00870	2.0
89.02449	32.7
90.33858	1.0
101.02440	10.9
113.02448	6.4
119.03523	12.9
130.95580	1.0
143.03497	1.8
156.00865	1.3
161.04552	4.6
179.05629	5.3
290.07376	1.0
319.91766	1.2
401.12433	1.2
405.21698	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1819
Annotation	Spionoside B
Peak:m/z	Relative Intensity
51.53347	2.3
55.01870	9.3
57.03434	4.7
57.58715	2.2
58.00586	2.3
59.01387	52.7
69.07281	20.3
71.01385	41.5
72.99332	3.9
73.02956	15.0
75.00887	2.5
80.02230	2.7
83.01359	12.1
85.02954	22.0
86.00095	2.7
86.57870	2.6
86.61629	2.3
87.00877	6.7
89.02464	18.3
95.01383	7.3
97.02939	3.6
99.00886	6.5
101.02450	41.6
102.02754	2.7
107.01399	4.9
109.02953	4.0
111.00842	6.2
113.02424	17.8
114.17313	2.3
119.03490	5.1
123.00868	24.9
123.04532	3.7
124.01668	4.1
125.02467	23.5
137.02464	9.0
139.00368	10.4
140.01180	5.7
151.00359	18.1
161.04570	8.4
164.04829	4.6
168.00632	7.9
169.01462	24.6
191.07172	3.6
209.08203	27.2
210.08725	4.7
224.10539	32.9
225.10951	2.9
239.12885	74.2
240.13190	4.4
266.70047	2.8
289.07117	6.3
386.15808	7.1
401.14371	100.0
401.18320	71.9
402.14240	14.0
402.18765	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	401.1822
Annotation	Spionoside B
Peak:m/z	Relative Intensity
54.50425	0.3
59.01376	1.2
67.44136	0.3
67.94409	0.4
71.01368	1.2
71.28594	0.5
73.02957	0.4
83.01363	0.3
89.02441	0.7
93.03461	0.4
101.02428	0.7
108.02206	0.4
109.02307	0.4
109.02976	1.3
111.00887	0.6
111.04522	0.4
123.00890	1.0
123.04458	0.5
124.01669	0.4
125.02451	2.4
137.02455	34.9
138.03290	3.8
139.00375	0.5
151.00478	0.6
153.01982	0.4
165.05594	6.2
169.01421	1.3
170.02225	0.6
224.10555	73.0
225.10873	4.8
239.12903	100.0
240.13237	7.2
245.08142	0.4
287.53754	0.3
289.07080	0.5
300.40991	0.3
401.13843	3.6
401.19229	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	401.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.8
57.03456	0.8
59.01385	12.6
71.01394	6.9
72.99279	1.2
73.02950	1.7
83.01379	1.1
85.02953	3.3
87.00885	1.8
89.02459	5.4
93.03452	0.8
95.01399	1.0
97.02927	1.1
98.21699	1.1
101.02452	5.8
107.05067	1.0
109.02941	2.7
111.00906	1.8
111.04500	1.9
113.02431	2.7
117.05563	1.1
119.03515	1.6
119.04996	1.1
123.00847	1.6
123.04481	1.5
125.02451	2.7
137.02448	15.3
138.03314	2.1
147.04510	1.2
149.02415	1.1
151.00313	1.3
151.04005	2.1
153.01956	0.9
158.15788	1.0
164.04782	2.1
165.05589	66.5
166.05940	3.0
167.03427	0.8
177.12817	1.1
194.05806	1.7
195.06526	1.3
198.05254	1.0
207.06696	0.9
221.11871	1.1
223.09723	1.1
224.10539	14.7
225.11279	3.5
239.12910	15.9
240.13191	1.2
245.08249	1.1
253.10660	1.4
289.07147	3.3
359.11221	0.9
386.15787	7.0
387.10965	4.8
387.15555	1.2
401.12579	10.4
401.18124	100.0
402.13086	3.4
402.18481	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	401.1972
Annotation	Virolongin A
Peak:m/z	Relative Intensity
52.38504	0.3
71.05005	0.5
79.01884	2.0
85.06598	1.2
87.04512	0.8
95.05022	3.5
96.05336	0.4
97.02932	2.3
100.91985	0.4
109.06606	1.6
111.04543	3.2
121.02964	1.2
122.03738	2.4
122.83756	0.5
123.08173	2.9
137.06088	9.2
138.03172	0.4
139.04022	6.0
141.09224	0.7
144.36037	0.4
147.08124	1.1
149.09657	0.5
150.06868	0.9
151.07680	0.5
163.07698	0.7
165.01962	1.0
165.09215	18.8
166.02727	1.4
166.09486	1.0
189.05496	0.4
189.34721	0.4
191.07172	1.4
193.08641	1.3
202.23315	0.4
205.05035	1.4
207.06602	2.6
208.07483	1.3
209.08199	100.0
210.08528	6.0
216.54266	0.4
217.12349	1.5
219.06656	1.2
219.13898	1.8
220.07411	0.5
221.08167	1.3
261.11313	0.5
263.12894	21.3
264.13266	2.3
275.12961	0.5
289.14487	0.8
294.97906	0.4
325.98148	0.4
347.26221	0.4
358.14169	0.5
401.19687	24.3
402.19989	3.5
420.68283	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07589	1.0
59.01389	6.0
69.03493	1.4
71.01392	1.5
81.03503	1.0
85.02953	3.2
89.02451	2.9
91.04017	19.0
92.57531	0.9
97.06614	4.7
111.08131	1.0
125.09740	2.3
127.11307	2.0
136.01617	2.1
136.87955	1.0
137.02483	1.2
155.10786	1.3
165.12959	1.0
167.14487	1.1
171.10277	8.3
173.11928	1.0
177.12735	1.3
183.13869	3.9
185.11765	1.4
189.18988	1.2
193.12282	1.3
195.13829	1.1
209.11879	1.5
211.13400	25.0
212.13806	1.1
221.11826	4.5
229.14488	13.4
230.14720	1.0
239.12848	3.2
241.05069	2.3
291.19601	6.5
309.20743	6.4
327.21783	100.0
328.22137	9.0
341.06641	2.2
356.81955	1.0
371.11343	3.0
372.11743	1.2
386.13708	2.6
401.16452	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	402.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.80097	6.2
68.97262	5.6
71.01388	40.3
72.99310	5.8
73.02955	14.0
74.99483	6.5
79.14881	6.3
85.02968	20.3
87.00888	7.1
89.02462	34.4
98.21715	14.5
101.02467	27.7
107.76297	5.9
113.02477	15.7
119.03519	15.4
125.02518	8.8
128.46686	6.2
136.12892	6.7
151.85106	7.3
161.04601	12.0
181.12375	6.8
197.17473	7.0
215.79521	5.8
223.06145	9.1
223.13335	30.0
403.10034	37.0
403.19720	26.7
403.24155	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	402.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	27.9
59.53611	15.8
62.08145	14.5
67.63187	12.4
71.29667	17.5
89.02483	16.2
101.02415	23.3
111.04513	90.4
118.95422	13.4
120.99696	17.1
126.19281	13.8
142.16927	19.2
147.77858	15.8
151.07655	34.0
181.08698	33.8
195.06604	100.0
247.09831	24.7
320.10056	15.3
359.14935	52.0
403.13855	46.4
403.23230	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	403.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	4.8
59.01379	2.2
61.98838	10.1
70.64309	3.0
70.64629	2.8
71.01377	2.6
78.95909	63.2
79.07957	2.1
83.01389	4.3
93.03455	4.0
95.05051	3.2
96.96033	29.7
96.96970	100.0
97.02959	2.5
102.19342	1.9
109.02920	10.2
109.04669	2.0
111.04559	2.0
118.66028	1.9
121.02976	3.9
122.21965	2.2
123.00895	6.2
125.02457	56.1
127.05447	2.1
137.02455	27.1
139.04007	13.5
151.04065	2.6
153.01898	5.2
161.02441	3.3
164.01109	3.3
165.01912	12.1
167.00258	2.1
167.03523	9.4
177.05466	2.4
179.03487	11.7
181.05055	2.5
204.04343	3.0
219.06631	7.1
221.04651	4.0
222.99107	2.6
233.91162	2.0
234.99359	2.4
236.97253	3.4
247.49680	2.0
254.98331	4.1
261.07654	5.1
262.98688	3.8
265.00375	12.1
296.99344	6.5
301.30338	2.3
305.03162	4.8
305.06659	82.4
306.06989	5.5
331.84698	2.1
359.04474	7.5
361.02310	3.2
375.00479	9.8
385.02548	4.8
403.03564	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	403.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08220	0.6
55.01872	0.9
57.03429	1.2
58.02970	1.1
59.01144	0.7
59.01381	9.2
61.04569	0.6
62.59348	0.5
68.99807	0.7
69.03454	0.9
69.39491	1.1
69.39894	2.2
71.01026	1.0
71.01383	10.8
72.99302	1.0
73.02964	3.5
74.02468	2.2
75.00880	0.9
77.42804	0.5
79.01877	0.7
80.03295	0.5
81.03477	0.7
83.01385	2.0
85.02965	4.4
87.00845	0.9
87.24552	0.6
89.02454	5.1
95.01398	2.9
97.02940	0.9
99.00874	0.9
99.05650	2.3
101.02441	7.1
101.07207	0.6
102.65118	0.5
107.01404	3.1
108.02193	1.3
109.02947	2.6
111.00875	3.1
113.02457	3.9
119.03537	1.3
119.05014	2.3
123.00887	15.8
124.01744	1.2
124.08506	0.6
125.02458	16.7
126.02790	0.7
127.00307	1.1
128.03543	6.8
135.05661	1.1
136.98778	1.4
139.00378	5.3
140.01187	3.2
141.01891	1.9
143.03534	1.1
143.04617	8.8
146.04562	0.6
151.00381	12.4
153.01962	5.7
153.80721	0.6
160.00772	1.8
161.04575	1.1
164.04718	0.7
167.03496	0.9
167.08200	0.8
168.00653	3.3
169.01431	21.6
177.03423	0.7
179.04562	0.8
181.01456	1.4
181.04985	0.8
196.03767	0.6
210.08870	1.0
211.02496	1.4
219.00809	0.6
241.10823	0.9
241.14426	1.1
248.09087	0.7
249.06229	1.1
254.07837	2.0
271.04565	1.4
272.08978	3.8
288.06509	0.7
306.07654	8.3
313.05615	1.8
323.25735	0.7
403.12454	100.0
404.12936	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	403.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73499	0.3
55.01865	0.6
55.67080	0.2
57.03438	0.7
58.00588	0.3
58.22840	0.3
59.01385	7.8
65.00337	0.3
67.01868	0.9
68.99817	0.4
69.03462	0.5
71.01388	7.4
72.99303	1.2
73.02959	2.3
79.01889	1.4
83.01395	2.3
85.02958	3.7
87.00888	0.8
89.02471	1.9
93.03467	0.3
95.01400	2.9
96.99314	0.4
97.02945	1.1
99.00900	1.0
101.02451	5.2
107.01404	4.7
108.02209	0.3
109.02947	1.3
110.00080	0.4
111.00901	3.4
113.02464	2.9
119.03534	0.5
119.05032	1.7
120.99722	0.3
121.02970	0.6
121.56169	0.3
123.00896	17.0
124.01739	0.6
125.02454	18.7
126.02809	0.4
127.00343	1.0
136.98810	1.3
137.02467	2.0
139.00380	7.3
140.01184	4.4
141.01941	2.7
149.02422	0.5
151.00383	13.5
152.00685	0.6
152.26482	0.3
153.01956	1.3
154.99846	0.4
155.68323	0.3
161.02370	0.5
161.04567	0.6
163.04039	0.4
165.01993	0.4
166.02760	0.4
166.06387	0.3
167.03488	0.6
167.07111	0.6
168.00674	3.9
169.01436	23.7
170.01852	0.8
176.42528	0.3
178.97968	1.1
179.03632	0.5
179.05605	0.6
181.05019	0.6
191.98740	0.5
192.99532	0.4
211.02393	1.5
218.97514	0.5
220.99080	1.3
222.96976	0.5
235.99153	0.6
264.99231	1.3
271.04611	1.3
272.09119	0.3
313.05652	2.4
314.99573	1.4
317.01190	0.4
342.98978	3.0
343.99698	0.4
356.96976	0.7
361.00171	3.2
374.98096	0.6
403.12436	100.0
404.12766	11.0
404.17905	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.0
59.01383	5.1
67.01900	0.7
69.39494	0.8
69.39898	2.2
71.01400	6.3
72.99287	0.9
73.02930	2.0
74.02472	1.0
79.01901	1.0
83.01375	1.8
83.91907	0.5
85.02959	4.1
86.02440	0.6
87.00836	0.8
89.02438	1.8
95.01390	2.2
97.02982	0.8
99.00890	0.6
101.02443	4.2
107.01389	4.3
111.00867	2.9
113.02442	2.6
117.97368	0.6
123.00886	15.0
124.01682	1.9
125.02451	16.0
127.00351	0.6
128.03546	2.8
136.98817	1.5
139.00389	6.8
140.01167	3.6
141.01912	2.2
143.04636	3.7
151.00365	11.7
152.00819	0.7
153.01967	1.5
160.00690	1.2
167.03474	0.7
168.00648	4.7
169.01437	21.3
170.01788	1.0
181.01389	2.3
182.02197	0.7
196.03773	1.3
199.45935	0.6
210.08841	0.9
211.02420	1.1
221.54712	0.5
254.07805	1.7
271.04681	1.3
272.08893	1.1
272.77863	0.7
288.06631	0.9
293.35922	0.5
306.07657	4.2
312.44647	0.5
313.05585	1.8
359.09970	1.1
371.54132	0.5
403.12439	100.0
404.12738	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	403.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.4
57.03450	0.8
59.01382	45.9
67.01877	0.9
69.03446	1.2
69.27227	5.4
69.27626	1.5
71.01374	15.8
72.99297	1.5
73.02943	4.6
79.01897	1.5
81.03474	0.9
83.01385	2.8
83.04982	1.0
85.02946	8.0
87.00877	2.1
89.02454	6.2
95.01389	3.9
97.02920	1.0
99.00854	1.8
101.02448	10.9
107.01387	2.7
107.05024	1.0
108.68003	0.8
111.00889	2.8
113.02444	7.3
119.03491	2.2
121.06557	2.0
122.50233	0.8
123.00905	17.0
124.01672	2.6
125.02457	20.0
127.00336	1.0
128.56972	0.8
131.03537	1.6
136.98817	1.7
137.02365	1.0
139.00374	7.2
140.00189	0.9
140.01184	4.0
141.01956	2.3
151.00365	13.6
159.03006	1.1
161.04565	2.9
161.09787	1.6
163.07664	2.8
168.00648	4.5
169.01437	24.6
170.01897	1.2
178.84625	0.9
179.10738	0.9
208.51395	0.8
211.02567	1.4
241.07271	1.2
251.33289	0.9
271.04391	1.3
282.89764	0.8
287.51120	0.9
313.05667	1.5
403.12329	100.0
403.16324	51.0
404.12192	8.8
404.16705	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.125
Annotation	10-Acetylmonomelittoside
Peak:m/z	Relative Intensity
59.01379	8.4
59.03951	1.1
61.85077	1.0
61.98830	7.5
63.59408	1.2
70.61956	2.7
71.01385	5.4
71.19958	1.0
72.98923	2.1
72.99313	35.5
73.01804	1.0
74.52530	1.2
75.00866	1.3
78.95914	2.1
85.02950	2.5
89.02457	5.6
96.96960	1.4
101.02438	2.4
109.02938	1.6
113.02418	2.4
121.02934	3.6
123.00907	2.7
125.02477	5.7
129.29851	1.1
135.04518	1.4
137.02469	5.6
138.03188	4.9
139.00388	2.1
149.01311	1.6
149.02449	31.0
150.03239	2.1
151.00342	1.6
151.04060	2.6
152.01135	4.0
152.04765	3.0
153.05531	5.1
163.03987	1.5
164.04817	33.2
165.01915	6.2
165.05409	1.8
167.03441	3.0
168.00578	1.9
169.01457	6.2
169.05113	1.3
179.03456	4.1
179.07140	13.5
180.04317	7.1
180.07503	1.2
193.01375	2.7
195.06650	11.0
208.03763	12.5
210.64923	1.2
211.02406	1.2
222.05354	1.2
223.06125	40.3
224.06403	1.4
231.53534	1.1
241.07191	100.0
242.07541	6.2
251.07739	2.7
271.04648	2.9
403.12335	66.7
404.12808	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	403.1402
Annotation	LMPK12070001
Peak:m/z	Relative Intensity
51.78585	0.8
57.04439	0.8
62.99015	0.8
65.31458	0.9
69.06478	4.1
69.06906	3.5
72.80164	1.0
109.02946	0.9
111.04529	32.7
121.02936	2.0
122.03715	4.1
123.08145	0.9
137.02441	1.6
151.78297	1.0
153.01863	2.3
158.03725	1.1
168.50055	0.8
173.06026	1.2
175.03946	2.6
177.05458	1.4
179.07124	1.3
181.08659	2.1
200.04668	0.9
203.03450	2.1
203.06905	0.9
208.11037	1.6
209.08107	2.8
209.11836	16.6
215.03586	1.3
217.08635	2.9
227.03404	1.5
227.06981	2.4
229.08553	1.5
241.08614	1.7
243.02838	2.6
243.10190	2.5
244.03745	8.5
245.04373	2.6
245.08174	5.4
247.06190	1.0
247.09685	2.3
247.13341	6.2
248.10385	0.9
253.08827	1.3
263.09097	1.3
269.08084	3.0
270.08798	1.2
271.02341	3.8
271.05502	0.8
271.09641	4.0
272.03125	2.2
273.07507	3.4
282.05420	1.9
287.09219	4.2
291.08774	2.3
291.12308	1.4
297.07666	11.6
298.08124	2.0
299.05676	1.0
313.14456	4.7
314.07703	3.1
315.08755	100.0
316.09030	7.6
339.12131	2.7
341.14014	10.9
342.14224	1.6
357.13458	8.8
359.18710	2.2
367.11786	1.9
385.12918	77.3
386.13156	8.2
403.13733	57.5
403.28952	1.8
404.14264	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	403.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03471	0.6
59.01382	2.8
67.05543	2.8
68.99832	0.7
69.03454	0.7
69.99007	0.7
71.01388	1.7
71.29624	0.7
72.62313	0.6
81.03472	0.9
83.01389	8.7
85.02956	1.7
87.00868	1.6
87.04517	1.1
108.02216	1.6
109.02964	1.5
109.06616	5.1
111.04525	74.8
111.08148	0.8
112.04893	2.0
113.02444	1.2
113.09727	3.5
123.08171	0.9
125.02464	2.0
125.06102	0.8
133.06633	1.2
136.05313	2.5
137.02451	0.7
137.06050	0.7
139.07658	1.4
149.02420	1.3
149.06097	0.9
151.04033	0.7
151.07652	24.9
152.08028	1.4
153.05579	1.6
154.47443	0.7
155.07129	1.3
164.04782	1.4
166.06317	0.7
167.07060	1.1
174.28239	0.6
175.03986	0.9
176.04724	0.7
177.05513	0.8
179.07172	1.4
181.05159	1.1
181.08716	30.9
182.08997	1.4
188.08455	1.9
189.05617	1.0
190.06384	1.8
191.03415	0.7
195.06631	100.0
196.06976	5.5
201.11311	1.1
204.07875	0.8
205.08702	10.4
217.04997	3.1
219.06650	1.1
219.10191	1.4
223.06120	1.1
232.07399	9.6
233.07904	0.9
247.09760	17.2
248.10103	1.1
275.12900	2.3
289.11185	0.6
315.15759	1.2
330.35144	0.7
331.21271	1.9
359.15009	36.0
360.15369	4.0
403.13873	30.6
403.17886	1.4
403.22794	1.1
404.14362	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	403.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80725	1.2
51.00109	1.5
52.40296	1.3
55.01874	1.7
57.03444	2.4
59.01385	82.0
61.98838	1.8
62.12083	1.5
69.03460	2.1
70.40800	2.6
71.01382	32.2
72.99300	4.9
73.02948	8.6
83.01364	3.0
83.05002	1.3
85.02963	15.7
87.00887	3.0
89.02457	12.2
95.01371	4.9
99.00882	3.9
101.02446	21.0
107.01402	4.2
109.02953	2.3
109.06590	1.7
111.00874	2.8
113.02435	12.6
113.04450	1.3
119.03539	2.5
119.05045	2.5
121.06553	2.9
123.00888	18.5
123.04539	1.5
124.01826	1.7
125.02448	17.2
129.01936	1.6
131.03517	3.1
136.98802	1.7
139.00357	6.2
140.01155	3.0
141.01929	1.9
141.79262	1.3
145.06590	4.0
151.00397	15.7
151.03969	1.9
153.01903	4.3
156.73843	1.3
159.03021	1.8
161.04567	5.0
163.07626	6.1
164.04816	1.4
168.00620	3.4
169.01428	24.0
179.07088	2.2
179.10707	2.1
223.06097	2.1
223.09760	3.3
241.10869	1.9
313.05762	1.9
347.50174	1.8
367.16098	2.2
385.14847	3.4
403.12247	86.2
403.16232	100.0
404.12549	6.0
404.17178	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	403.161
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91507	2.0
57.03453	4.2
58.00587	3.2
59.01382	100.0
60.29126	1.9
71.01385	60.7
71.05008	2.0
71.28318	2.4
72.99313	7.3
73.02946	6.2
74.99120	1.9
76.92866	2.3
81.03487	3.1
81.95598	1.8
83.01392	4.9
85.02951	13.7
87.00872	5.8
89.02449	54.3
93.03481	2.7
95.01360	2.6
97.06551	2.1
99.00893	2.4
101.02452	25.0
102.02790	1.9
109.02965	4.1
111.00890	3.5
111.04533	4.9
113.02461	20.2
113.09666	2.4
119.03506	21.6
120.99662	3.1
123.04536	2.5
125.02459	5.9
127.02921	2.4
131.81099	1.7
135.11800	10.7
137.02460	9.7
137.09756	3.1
143.03600	3.8
151.04048	2.8
153.01863	2.5
153.09213	5.5
161.04532	6.5
161.09732	2.5
167.03529	3.8
168.03825	4.5
169.03996	7.5
170.04332	2.5
179.05591	5.3
179.10780	89.7
180.11171	4.1
181.05135	3.1
181.08734	26.7
183.06607	2.6
194.05705	2.0
197.04553	3.6
197.11823	18.7
222.05429	2.5
223.06256	13.1
223.09746	32.8
224.10013	2.8
240.06514	4.0
241.10837	33.4
242.11426	2.1
324.22562	1.9
388.11063	2.2
403.11874	22.9
403.20251	2.6
404.13083	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	403.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	5.5
59.01380	100.0
71.01382	25.7
71.29566	2.1
72.99309	3.6
73.02947	6.0
83.01376	3.3
85.02969	9.7
87.00858	9.7
89.02451	19.7
95.01408	3.9
95.05048	1.6
95.64001	1.5
97.02940	3.1
99.00840	1.9
99.04490	1.8
101.02444	19.7
101.10545	1.8
109.03024	1.9
111.00858	2.2
113.02466	11.2
119.03521	7.5
120.99647	9.3
121.06633	2.2
125.02430	2.6
125.06062	1.9
130.17506	2.0
133.10188	2.7
135.08180	2.0
137.02478	2.6
137.09729	5.1
143.03474	2.4
151.03932	1.7
159.11876	2.2
161.04565	6.7
161.09755	6.2
163.07605	3.6
163.11285	2.7
163.99440	1.7
174.96320	1.8
174.98056	2.0
179.05640	3.5
179.10846	9.3
181.08711	11.4
193.39618	1.9
197.11838	45.1
222.29836	1.9
223.09850	13.5
223.13333	25.1
233.70280	2.0
241.10820	74.0
241.14496	6.3
242.11147	4.4
283.11945	27.8
313.12973	5.3
343.13974	33.0
344.14429	3.4
359.16977	3.3
403.15338	8.4
403.19733	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	403.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34430	1.0
53.70818	1.1
58.00590	2.7
59.01384	81.4
71.01389	45.4
71.29388	1.8
72.99303	3.3
73.02943	2.9
83.01402	2.5
85.02969	9.0
87.00895	3.3
89.02449	51.0
95.01411	3.2
99.04520	6.6
101.02457	20.4
105.55061	1.0
109.02954	5.0
111.04528	4.8
113.02458	18.6
119.03516	18.6
120.99670	1.7
123.04539	1.1
124.05328	2.3
125.02457	1.8
131.03497	2.7
133.10222	2.4
135.11761	5.8
139.00351	1.7
143.03520	2.3
147.04504	1.2
149.04561	1.3
161.04524	1.9
161.09734	4.2
167.07193	1.1
177.05658	1.2
179.05603	4.6
179.07198	8.9
179.10789	47.2
180.11160	2.9
181.08763	1.9
195.06612	2.2
197.08217	1.7
197.11865	8.2
223.09772	100.0
224.10085	6.8
241.10866	15.4
244.57288	1.1
245.08171	1.5
247.09810	1.7
283.11789	5.6
323.66595	1.1
343.13922	4.0
344.12256	1.2
385.12637	1.8
403.15021	11.8
403.20016	3.1
404.14545	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.1
57.03444	1.0
58.00600	0.8
59.01384	42.4
62.39291	0.6
63.87890	0.7
65.00331	1.1
67.01887	2.1
68.87326	0.7
69.03459	2.3
69.45696	4.1
71.01028	1.4
71.01388	15.6
72.99306	2.0
73.02953	4.6
78.95909	1.0
79.01912	1.3
83.01405	3.1
85.02962	10.0
87.00888	1.7
87.10284	0.7
89.02435	6.7
95.01402	2.9
97.02953	1.2
99.00900	2.2
101.02449	12.4
105.24890	0.7
107.01408	5.0
109.06595	1.0
111.00910	3.3
113.02460	7.3
119.03533	1.6
121.06608	1.6
123.00901	20.1
123.04527	0.9
124.01695	1.0
125.02457	24.6
126.02853	0.7
136.98837	2.1
137.02472	4.1
139.00359	8.5
140.01176	4.1
141.01950	2.8
145.06627	2.2
151.00380	16.1
152.04735	0.8
159.02971	1.3
161.04579	2.4
161.09729	2.1
163.07669	3.3
166.06158	0.7
167.07001	0.9
168.00621	4.6
169.01448	27.5
170.01811	1.3
178.97905	0.9
179.10806	2.0
211.02315	1.6
211.30930	1.0
220.99152	0.8
248.20041	0.8
264.99225	1.0
271.04529	1.6
313.05789	1.9
342.99057	2.9
360.99997	2.1
398.03458	0.7
402.49725	0.7
403.12408	100.0
403.16364	42.6
404.12253	8.8
404.16727	3.2
426.59647	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1763
Annotation	Cochliomycin A
Peak:m/z	Relative Intensity
53.90516	0.3
55.36721	0.4
57.03466	0.7
58.02228	0.3
58.76483	0.3
65.00330	0.6
65.44526	0.3
69.93916	1.4
81.03459	4.2
83.01386	1.5
91.40386	0.3
95.05051	1.1
107.01378	0.5
113.09763	0.9
123.04534	31.0
124.04884	1.0
125.02468	2.8
151.00354	1.1
153.01929	0.8
157.52953	0.4
165.09224	0.8
167.03506	100.0
168.03824	3.9
171.70479	0.3
181.08737	3.4
197.37508	0.4
200.65738	0.3
205.99107	0.4
209.08238	2.8
221.08205	5.9
222.08540	0.5
382.14563	0.4
403.17615	18.8
404.17966	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	4.6
61.98812	4.3
68.99812	1.1
71.29443	1.4
79.95747	1.0
81.03431	1.5
83.01385	2.1
83.05008	3.8
96.82459	0.9
96.96047	5.4
98.72585	0.9
107.05027	1.5
109.02935	2.5
111.00853	4.7
111.08170	31.9
112.08469	2.0
112.98853	1.1
121.02907	1.9
122.03772	1.2
123.00891	6.9
123.04501	1.3
124.01692	7.7
125.02431	3.0
127.00373	4.5
135.04524	5.7
136.98788	3.8
137.02441	5.5
138.03218	2.4
139.00374	22.3
139.03967	4.5
140.01028	1.0
149.02406	1.4
150.99219	2.0
151.00377	35.0
151.03989	5.0
152.01161	17.7
153.01996	5.9
153.05554	1.6
154.02695	3.6
156.12589	1.3
163.04080	4.8
163.05208	1.2
163.07584	2.1
164.04778	7.0
165.01924	1.3
165.05508	1.1
166.02727	68.9
167.03503	17.8
168.04204	1.6
173.05984	3.1
173.08206	30.0
175.03952	2.1
175.07565	1.0
176.04732	3.0
177.05511	1.8
178.02701	1.5
178.06248	4.1
179.03461	4.1
179.07152	6.0
180.04289	12.9
181.05075	91.5
182.05356	3.6
190.04976	1.1
190.06387	14.1
191.07140	13.0
193.04956	2.3
193.08652	2.2
194.05849	4.7
195.06647	9.1
205.08658	8.9
206.05765	1.6
206.09375	3.7
207.06479	1.4
209.08145	1.4
218.05699	1.4
221.08073	3.7
233.08060	3.4
234.08958	1.1
247.11874	6.4
325.07068	1.8
331.24850	1.9
343.15277	1.9
345.13455	2.9
355.11691	3.8
370.14108	3.2
372.05759	1.0
373.07159	5.3
373.12753	20.8
374.12918	1.4
385.16531	5.1
386.16760	1.2
388.15311	46.2
389.15588	4.9
403.04062	2.7
403.17529	100.0
404.17862	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	7.4
59.01406	1.8
59.68656	1.5
61.98826	2.5
64.93876	1.5
69.03473	1.8
69.36824	2.9
69.37225	7.0
83.01387	1.9
83.05029	14.9
83.71788	1.5
93.03472	1.5
94.98292	1.5
95.05034	15.7
96.96044	1.9
97.06595	58.0
98.06940	2.3
98.12096	1.7
98.22635	1.4
109.06602	3.3
111.00878	4.4
111.08171	100.0
112.08507	3.4
115.07655	9.2
116.33445	1.6
123.00906	8.7
123.08176	2.6
124.01691	17.3
125.02457	3.2
125.09735	52.0
126.10091	2.1
127.00418	1.8
129.09230	6.3
135.40872	1.4
136.98793	3.2
137.02484	4.4
138.03247	9.6
139.00375	16.0
139.04034	11.7
140.01147	6.2
141.05620	1.7
147.85515	1.4
151.00420	4.5
151.04002	1.6
152.01189	2.2
153.01993	1.9
153.05588	4.4
154.02757	1.5
159.05342	3.0
159.06647	47.3
160.07077	2.1
163.04039	1.6
166.02745	10.1
173.08211	86.8
174.08539	2.2
180.04311	1.9
181.05087	11.4
187.09776	50.4
188.10173	1.7
190.06270	1.9
191.07127	2.5
200.23637	1.9
205.08752	2.3
206.05946	1.9
207.06714	3.7
233.10349	12.1
247.11876	18.8
249.07780	2.2
261.13437	13.6
279.06317	1.8
297.22971	1.9
355.11612	2.1
373.06961	3.3
388.11752	5.1
403.08624	2.5
403.13977	37.2
403.19720	83.0
404.14343	4.7
404.20044	9.2
424.70560	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
63.31572	0.9
69.18238	6.0
83.05049	1.9
108.43607	1.1
109.06596	13.2
113.09710	1.9
123.08179	70.2
124.08530	2.4
125.06117	3.3
153.04358	1.2
153.05588	17.2
165.35477	1.0
167.07155	100.0
168.07487	4.0
181.08725	22.6
204.67705	1.0
206.86475	1.4
277.14417	1.3
306.93524	1.1
322.13242	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24554	1.0
57.04075	0.9
59.01388	3.6
61.98827	2.6
69.61301	1.9
69.61699	3.0
71.01373	1.1
72.04447	1.1
96.96016	8.6
96.96597	1.0
96.96814	0.9
109.02943	2.0
111.00872	2.3
123.00895	5.6
124.01675	5.4
125.02448	3.0
125.09772	2.7
127.00378	1.8
127.11286	4.0
135.04539	4.1
136.01659	4.6
136.98877	2.2
137.02490	3.2
138.03270	1.5
139.00414	9.6
139.04004	4.1
145.06729	1.6
149.02440	3.7
151.00380	29.6
151.03975	8.4
151.60863	1.2
152.01154	17.4
152.04590	1.5
153.01906	3.4
154.02711	2.6
155.10846	1.8
157.08884	1.2
157.12361	2.4
162.03197	1.3
163.04010	4.0
163.07674	3.7
164.04805	3.9
165.36287	1.1
166.02725	73.8
167.03511	17.6
173.06100	2.9
173.65215	1.1
175.04022	3.7
176.04797	3.7
177.01945	1.2
178.06367	1.6
179.03546	4.6
179.07170	3.9
180.04276	5.5
181.05084	100.0
182.05434	5.8
190.06378	16.1
191.07147	14.4
193.08656	2.1
194.05852	4.3
195.06630	4.8
203.84052	1.1
205.08708	9.9
206.09483	2.6
208.03712	2.2
209.08235	2.7
216.07898	1.3
221.08215	2.2
221.11826	1.2
223.06133	4.7
233.08420	1.6
290.32376	1.3
313.23904	5.0
323.18524	5.7
325.07214	1.4
329.23502	2.7
331.24924	65.4
332.25238	5.8
345.13474	5.0
355.11850	4.3
370.14429	3.6
373.07227	4.2
373.12964	24.4
374.13336	2.0
385.16492	6.4
388.15265	32.4
389.15622	3.3
403.17734	59.3
404.17969	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	3.1
71.27805	1.2
106.15054	0.7
117.03483	15.8
119.05029	7.9
121.02998	0.9
128.51042	0.7
131.83565	0.8
145.02969	100.0
146.03311	3.6
163.04018	5.9
257.21124	7.9
385.23953	1.4
403.24878	22.4
404.25272	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	403.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	3.0
68.87489	0.5
79.01894	4.1
98.49625	0.5
109.02950	0.7
123.04507	0.7
124.01682	0.8
125.06101	5.5
135.04500	0.6
149.06078	6.3
151.00325	1.1
151.04028	1.5
153.05605	0.9
164.04826	0.5
165.05566	1.5
166.06432	3.8
167.07124	0.8
179.03523	11.2
179.07074	0.7
180.03940	0.9
191.10802	1.2
193.05055	14.5
193.08766	0.8
194.05836	17.3
195.06274	1.1
198.05351	0.8
206.05788	0.5
207.10297	1.9
209.08130	1.2
210.08607	0.9
211.08664	0.7
217.08669	0.6
221.08247	1.6
226.04800	4.2
235.09763	100.0
236.10103	6.6
249.11275	1.5
250.12105	12.7
251.12593	1.3
259.17014	0.6
282.11127	1.1
301.18112	1.1
403.24924	82.8
404.25284	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	403.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15697	0.3
57.03449	0.3
58.00598	0.7
59.01369	0.6
67.60542	0.3
69.71170	1.3
71.01385	0.9
71.50661	0.3
89.02435	1.4
98.22420	0.4
108.02206	0.3
108.88670	0.4
121.55489	0.3
125.09708	1.0
127.11308	5.1
143.10774	0.9
145.82130	0.3
150.03252	0.5
155.10820	1.7
157.12357	3.1
165.05586	0.5
167.03418	0.4
171.10303	1.6
177.05646	0.4
187.13422	0.6
195.06609	0.9
201.11325	1.4
237.07716	1.0
287.22253	0.6
295.22726	0.8
311.22440	0.6
313.23877	7.9
314.23975	0.5
319.61932	0.3
329.23318	3.6
330.23825	0.4
331.24911	100.0
332.25281	10.5
383.26801	0.4
403.13992	1.2
403.27463	4.0
404.13934	0.4
404.27304	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84574	1.0
53.10138	1.0
53.80614	0.9
54.15759	1.0
57.03450	1.2
59.01381	7.4
61.98835	1.5
66.51511	1.0
71.01382	1.8
72.99307	1.6
84.51186	1.0
85.02998	1.1
89.02443	4.1
91.04012	23.3
95.05048	0.9
96.96053	1.2
97.06612	3.0
99.08155	4.4
122.63933	1.0
125.09769	2.9
127.11266	1.7
137.02460	1.2
139.11316	1.5
153.59041	1.0
155.14473	1.4
156.32230	0.9
159.06694	1.5
165.12865	1.1
167.14484	1.8
171.10283	3.7
183.13901	5.4
187.09894	1.2
193.12331	2.5
201.11015	1.1
209.11842	2.2
210.05408	1.1
211.11426	2.1
211.13403	38.3
212.13786	2.7
225.07654	3.5
229.14436	20.4
230.14777	1.5
284.89093	1.2
293.21268	2.5
311.22318	8.8
312.81946	1.1
329.23346	100.0
330.23679	10.5
335.54596	1.0
373.07288	4.0
403.08270	3.5
403.20001	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
69.38306	1.0
69.38710	2.3
85.02972	0.6
114.06947	0.6
123.26460	0.6
128.74826	0.6
162.02272	0.7
191.05760	0.7
196.99492	1.0
231.03552	0.7
248.80161	0.6
301.04257	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33334	1.0
61.98835	100.0
68.97670	4.0
68.98090	3.9
74.73222	1.2
81.30124	1.0
89.16538	0.9
89.34433	0.9
94.59406	1.1
100.92123	1.0
111.00948	1.2
191.01936	1.8
249.89731	1.0
329.17416	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38990	0.4
59.01385	0.4
61.98835	100.0
69.49934	0.4
69.87823	1.2
78.95930	1.3
96.97011	1.0
98.21938	0.5
110.25001	0.4
114.01185	0.4
116.97257	0.4
125.02485	0.9
130.08716	0.4
131.08270	3.0
138.28766	0.5
147.96660	1.2
173.10512	1.4
196.05827	0.5
214.02402	4.0
230.91600	0.5
231.05038	3.2
242.56017	0.4
304.46103	0.4
306.07028	0.6
335.76773	0.5
364.76224	0.4
369.18723	0.6
405.11407	0.4
405.16544	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	404.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02975	9.7
58.78440	2.1
59.01362	8.4
59.24645	1.9
59.25048	2.0
62.29112	1.8
68.30278	2.3
69.18337	15.0
71.01381	3.4
72.00896	2.7
73.70681	1.8
74.02480	28.5
82.03006	4.8
82.66137	2.0
86.02487	12.2
86.99089	2.7
87.05647	8.9
89.02434	2.3
90.00198	2.8
97.04092	2.9
99.05645	21.2
101.07203	4.1
102.05621	3.7
107.52662	2.0
109.04087	2.8
111.05656	2.5
112.04042	2.7
113.02403	2.0
113.23159	2.0
116.01804	2.5
123.05666	2.1
125.03589	2.9
127.05146	5.9
128.03555	71.2
135.05644	4.0
141.06738	6.8
143.04633	92.7
144.04996	3.0
145.06253	2.8
146.04608	9.4
153.06723	5.8
155.08295	2.2
160.00748	27.3
166.09879	3.1
167.04620	6.3
167.08266	2.4
177.03366	9.6
179.04643	19.0
181.06190	2.7
185.05678	3.0
192.07823	2.2
197.05667	4.1
198.08858	3.1
204.28828	2.0
210.08823	19.0
254.07843	28.7
272.08908	39.8
273.08902	4.3
288.06558	11.7
306.07684	100.0
307.07941	7.6
338.63828	2.8
404.12686	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	405.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.0
57.03440	2.1
58.00595	1.3
59.01383	35.8
61.98834	18.8
67.01873	1.0
67.68881	0.8
71.01387	28.8
72.99297	3.1
73.02932	4.1
75.00900	0.9
78.78868	0.9
79.01880	1.2
80.91674	0.9
83.01394	2.6
85.02949	8.4
87.00878	3.2
89.02448	25.6
95.01411	4.2
96.96026	0.8
97.02943	1.4
99.00864	1.8
101.02451	20.8
107.01374	4.0
109.02921	2.5
111.00892	2.6
113.02454	10.8
119.03517	9.9
120.99738	1.1
123.00886	18.4
123.04510	1.4
125.02460	17.6
136.98833	1.1
137.02502	1.4
139.00377	8.0
140.01166	2.1
141.01836	3.0
143.03456	1.6
149.02423	3.0
151.00372	14.5
151.03993	2.3
153.01938	3.2
154.02750	2.0
154.98149	1.5
155.03499	0.9
161.04591	4.6
163.04028	1.5
164.04808	2.1
165.01924	2.3
168.00627	3.0
169.01428	20.8
169.04994	2.1
170.01654	0.9
177.01900	2.0
179.03529	1.7
179.05588	4.0
179.07127	3.9
183.06528	0.9
186.79991	0.9
192.04306	1.1
195.02888	1.0
195.06644	2.6
209.04414	0.9
215.07141	1.0
225.07625	2.0
243.16049	1.7
246.21609	0.9
249.06119	1.8
253.03546	1.3
267.07214	3.3
301.07172	1.8
313.05710	5.9
323.13522	5.1
323.16980	1.0
345.06027	3.0
345.10663	4.8
402.30539	0.9
405.10370	100.0
405.17133	3.0
405.22165	4.9
406.10706	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	405.1193
Annotation	Oxyresveratrol 2-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
52.52369	0.2
53.25328	0.3
69.27103	0.9
69.27526	0.8
71.18473	0.2
82.34202	0.2
107.05009	0.3
109.02979	0.5
117.03349	0.2
121.02985	0.3
127.53043	0.3
129.07106	0.5
130.02409	0.2
131.05063	0.3
135.04543	0.7
141.56024	0.3
141.59950	0.2
143.05017	0.8
157.06590	1.0
158.03775	0.3
159.04526	10.7
160.04877	0.6
161.02422	0.5
171.08131	0.5
172.05289	0.7
173.06104	2.4
175.07652	3.7
181.06598	0.8
183.04552	0.8
184.05243	0.3
185.06068	1.0
197.06036	0.4
198.06882	0.4
199.03996	0.3
199.07617	2.6
200.04817	0.5
201.05579	9.7
202.05888	0.4
206.20668	0.2
215.07172	0.3
225.05551	3.1
228.04265	0.4
241.04982	0.5
243.06628	100.0
244.06990	7.3
334.12799	0.2
399.28970	0.3
405.11832	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1194
Annotation	Trichocarpin
Peak:m/z	Relative Intensity
51.71973	1.2
59.01370	4.3
60.17503	1.1
61.98819	1.8
68.99819	2.3
69.03461	49.4
70.61614	2.2
71.01406	1.3
79.01891	26.8
81.03461	2.9
85.02963	2.9
86.96387	1.4
87.00868	1.5
89.02493	1.2
93.03477	1.8
95.01392	8.5
97.02961	30.1
105.03450	1.8
107.01397	50.6
108.02232	8.5
109.02962	6.7
110.67724	1.3
121.02955	8.5
122.03752	1.9
123.00893	17.4
123.04507	1.7
125.02462	59.8
126.02813	2.6
133.02933	2.9
134.03703	1.2
135.00903	2.1
135.04539	2.6
136.01656	5.6
137.02469	7.0
138.03226	3.6
139.03970	1.8
149.02464	5.2
150.03186	2.2
151.00383	67.1
151.03981	1.6
152.01205	3.3
153.01982	16.5
153.05537	5.8
154.02277	1.3
161.02409	1.7
163.04015	10.9
165.01907	2.0
166.06372	3.6
168.04280	5.3
168.05696	1.2
175.00310	2.1
175.03983	1.2
176.01151	3.5
177.01935	14.7
178.02652	2.1
179.03452	1.7
180.04256	1.4
181.08775	2.3
191.03560	4.0
192.04315	1.8
193.01434	5.4
193.05087	3.3
197.06036	5.7
198.06862	1.4
207.02965	1.7
207.06638	3.7
208.03790	6.5
223.06114	11.7
242.05859	100.0
243.06584	53.7
244.07018	2.6
285.07687	4.4
297.06009	13.7
300.99948	1.8
375.14609	2.5
375.82401	1.3
375.87723	1.2
405.10806	9.5
405.15677	10.9
418.21637	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	405.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48454	0.6
59.01357	0.8
79.01869	1.0
85.06602	4.1
87.04519	0.8
95.05061	1.5
105.07126	0.8
107.05004	1.3
111.04529	22.4
112.04794	1.0
113.09754	1.2
121.06605	0.8
122.03744	0.9
123.04527	2.2
135.04503	0.9
147.08180	1.6
150.03221	1.1
151.04008	5.8
159.08080	1.0
165.01869	0.8
165.09209	1.6
167.03497	9.3
167.07175	1.8
169.05099	8.0
175.07683	2.3
177.01942	2.0
177.09204	2.1
179.03514	5.0
181.08679	8.4
183.06584	2.1
185.09956	0.8
187.07637	1.4
191.07176	1.5
193.05150	3.5
193.06718	0.7
193.08675	2.3
195.03009	19.9
195.06697	0.9
196.03305	1.3
203.07172	4.1
205.01411	1.9
205.08749	4.1
209.08138	3.6
219.06589	10.3
220.03827	0.7
220.07170	0.8
221.08203	16.3
222.08493	1.7
228.66986	0.9
231.06613	3.0
235.06113	5.7
236.06569	0.9
237.07645	2.5
244.07481	1.0
245.08278	1.1
247.06110	10.2
248.06900	9.2
249.07684	100.0
250.08061	7.3
257.04483	1.0
263.05902	1.0
265.07193	3.7
271.06097	1.0
272.06918	2.5
273.07669	2.2
275.05594	5.4
287.12772	0.8
293.06622	7.7
299.13031	0.7
315.12436	2.4
317.14261	0.9
333.13452	2.8
343.11899	14.1
361.12936	6.0
387.10919	6.5
405.11911	24.0
405.19080	1.4
406.12234	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1197
Annotation	Oxyresveratrol 2-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
52.36751	0.3
53.03575	0.3
57.03439	1.1
59.01386	3.3
64.06770	0.4
71.01382	1.0
71.29871	0.3
73.02939	0.7
73.15364	0.3
89.02454	0.4
99.04498	0.6
101.02491	0.6
107.01370	0.5
107.05011	0.4
109.02957	0.4
121.02956	1.8
123.00886	1.2
123.04437	0.4
125.02466	1.9
127.63209	0.4
133.02939	0.4
135.04527	1.0
143.05034	1.0
149.02419	1.0
150.03200	1.4
157.06560	1.0
158.03764	0.4
159.04526	11.9
160.04884	0.4
161.02423	1.2
165.05568	1.9
166.06255	0.3
168.00706	0.4
169.01427	1.9
172.05310	1.1
173.06108	2.4
175.07663	3.2
181.06555	0.9
182.02274	0.5
183.04489	0.8
183.10384	0.4
184.05153	0.4
185.02547	0.4
185.06049	0.8
194.05852	0.4
195.06622	1.3
197.04549	0.7
197.06180	0.6
198.91411	0.3
199.07715	3.0
200.04810	0.7
201.05600	10.8
202.05881	0.4
203.03479	0.4
209.08188	0.6
211.07249	0.4
213.05498	0.4
225.05585	2.6
228.04366	0.5
229.01411	0.5
231.02975	0.4
241.04997	0.7
243.06627	100.0
244.06979	7.2
244.09598	0.6
244.10464	0.4
257.00943	0.5
267.06488	0.5
275.02063	1.0
300.99863	2.1
305.90320	0.7
333.89874	0.5
345.22968	0.4
357.13623	0.6
389.88724	5.2
390.89148	0.7
404.91135	3.5
405.11459	1.0
405.16519	0.5
405.25198	2.8
405.91342	0.7
406.05560	0.9
406.25159	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39625	3.9
58.00597	6.3
59.01383	74.7
61.98830	53.9
71.01392	46.6
71.84558	4.1
78.95891	4.2
84.80213	3.7
85.02962	11.4
87.00877	9.6
88.98818	12.6
89.02455	58.3
94.31138	3.5
101.02465	24.7
113.02460	18.4
119.03535	24.5
123.00881	5.4
125.02476	5.7
126.92820	4.1
131.03517	4.3
131.08258	16.7
138.03249	5.3
143.03508	5.8
147.96550	8.3
149.02463	22.3
149.04601	5.4
152.01193	5.0
163.98186	4.4
173.10481	6.3
176.94223	6.5
177.01944	100.0
179.03508	4.6
179.05550	4.5
192.04295	52.6
192.15414	4.5
193.04654	5.2
195.03015	6.2
207.06635	11.7
210.05280	6.4
214.02408	25.4
225.07689	14.0
230.91678	8.2
231.05083	13.1
387.13165	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	405.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21357	3.5
55.59478	3.6
59.01388	79.2
61.98817	6.2
69.61760	14.9
71.01387	51.9
72.99297	5.1
73.02935	4.4
76.48228	4.0
85.02958	8.0
87.00881	7.3
89.02451	69.4
101.02451	21.1
113.02464	20.8
118.91431	3.6
119.03518	23.5
149.02463	23.3
177.00502	8.3
177.01956	100.0
178.02301	5.1
179.03523	5.8
179.05594	6.3
192.04315	42.3
195.03059	4.9
207.06619	6.3
210.05348	7.2
225.07736	19.0
229.78012	4.0
345.06125	6.7
387.13120	6.3
408.60883	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	405.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01708	1.6
61.98824	2.5
62.65913	1.5
64.43871	1.6
71.01397	7.5
72.99348	1.9
78.13181	1.7
82.39510	1.4
85.02958	2.9
89.02476	4.4
101.02461	4.8
106.16902	1.6
113.02466	2.5
119.03569	4.4
125.02464	3.0
138.98599	9.2
149.02513	1.7
153.01964	16.5
154.00967	12.1
155.01735	3.6
161.04634	2.9
165.02126	1.4
168.04303	25.7
183.06631	53.0
184.07031	2.0
237.29446	1.6
243.03128	4.3
243.06491	1.9
306.47000	1.5
317.06943	8.2
405.05548	2.8
405.12961	3.5
405.17303	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	405.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53058	1.3
53.41235	1.3
59.01385	100.0
62.28997	1.4
63.74414	1.2
69.41595	6.3
69.41997	2.0
71.01411	7.8
73.02945	1.9
85.02988	3.6
98.22470	3.1
101.02459	5.3
113.02466	3.6
125.99924	1.6
153.01962	23.2
159.03017	2.1
161.04587	9.1
168.04292	24.4
168.38335	1.8
183.06639	24.3
221.69273	1.5
229.29961	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36654	1.0
59.01384	100.0
61.98821	2.7
69.78454	3.9
71.01384	11.2
72.99290	1.6
73.02931	2.3
85.02955	3.0
87.00902	1.4
89.02459	11.4
101.02438	4.5
110.00146	1.8
113.02458	4.2
119.03485	5.4
137.99570	1.3
139.00365	3.5
153.01944	19.1
153.05591	1.5
154.02715	2.6
161.04515	1.6
167.10857	1.4
168.04283	10.4
169.05006	2.7
179.05624	2.2
179.07083	1.9
183.06641	14.4
242.95268	1.3
379.30899	1.2
405.17532	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	405.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38882	0.4
52.07900	0.4
68.54819	0.4
68.69904	0.4
69.92496	0.8
69.92902	1.6
72.71956	0.4
76.63821	0.4
79.01883	4.5
81.03447	0.5
90.16701	0.4
92.71281	0.4
103.01888	0.8
105.21869	0.4
111.03739	0.8
111.04524	15.0
111.91634	0.5
112.04866	0.5
123.08186	1.0
135.04532	1.8
147.08189	7.4
149.02391	0.5
149.06096	1.3
151.07628	0.5
163.07722	0.6
165.01933	1.0
167.03470	0.9
168.03786	0.8
169.03999	0.5
170.67389	0.5
173.06020	1.0
176.04802	1.0
178.02711	0.6
190.99866	0.6
191.07166	5.0
205.05075	0.7
209.08206	0.9
217.05016	0.7
219.02983	1.2
219.06573	0.5
220.03772	8.1
221.04190	0.6
235.06125	100.0
236.06471	6.0
247.06114	1.7
248.06902	1.8
249.11330	1.0
261.61798	0.5
275.09253	4.4
280.05908	1.0
289.10806	1.5
291.12259	0.6
334.49969	0.5
361.16568	22.4
362.16904	2.6
405.15268	6.5
406.15820	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16795	0.7
51.79034	0.7
57.03459	1.8
59.01381	5.1
64.08330	0.7
68.99831	0.8
71.01360	0.8
71.27847	0.8
71.28239	1.1
71.88466	0.7
72.46689	0.7
73.05523	0.7
74.86253	0.8
79.01904	1.5
81.03470	1.0
83.05043	1.7
85.02951	3.6
85.06594	2.3
87.04517	2.2
91.40500	0.8
95.01386	1.5
95.05032	4.2
102.38960	0.8
107.05046	0.9
109.02957	1.5
109.06592	1.1
111.04522	16.3
113.02466	2.5
113.06093	3.1
113.09741	13.4
114.10065	0.9
123.00885	1.8
123.04516	2.6
124.01665	0.8
125.02440	2.1
125.06105	3.3
125.99541	1.5
127.04002	0.9
135.04526	1.3
137.99600	1.1
139.00369	1.7
139.03986	1.3
139.07677	1.5
140.01163	1.9
141.05626	0.8
143.03467	1.6
147.08127	0.8
149.02486	1.3
150.03244	0.8
151.04008	3.1
153.00833	0.9
153.01955	1.8
155.03584	0.8
155.07198	0.9
162.03256	1.0
163.07677	0.8
165.05516	1.2
165.09224	1.7
166.06345	1.2
167.03513	3.2
167.07144	1.5
169.05072	24.7
170.05365	0.9
175.07631	0.9
176.60075	0.8
177.01933	3.3
177.05592	0.8
177.09216	1.4
178.02730	1.8
179.03491	2.0
179.07146	2.8
181.08714	100.0
182.09077	5.0
183.06624	32.0
184.06949	0.9
191.03534	0.8
191.07059	1.3
192.04285	1.7
193.05008	2.9
193.08731	2.0
195.02991	8.8
195.06647	1.7
197.08192	1.8
203.07137	2.3
205.01367	1.3
205.08719	1.1
207.06487	1.1
209.08157	6.5
219.06650	5.7
221.08264	6.6
221.11838	2.9
223.09879	1.0
231.06734	1.2
233.08269	1.1
235.06090	3.6
237.07651	3.2
243.06685	0.7
245.08148	1.5
247.06090	4.0
247.09792	0.8
248.06940	4.4
249.07686	39.1
250.08018	3.3
261.07825	1.5
263.05869	0.8
265.07108	1.5
272.06985	0.9
275.05762	1.6
293.06784	4.2
293.09964	1.1
315.12344	1.4
325.17310	0.9
333.13367	1.3
343.11890	6.8
344.12036	0.9
357.13568	1.0
361.12875	2.7
361.16641	1.1
369.13525	1.0
386.68414	0.8
387.10361	1.7
387.14917	4.5
405.11194	9.5
405.19638	4.1
405.26675	1.7
406.11823	2.0
406.20004	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.8
61.98798	1.1
67.01891	1.9
68.99817	18.1
69.43450	5.6
72.86729	1.2
80.02653	1.3
94.65904	1.1
95.01408	2.6
98.22448	1.9
99.04577	1.3
107.01379	2.3
108.02184	30.8
109.02965	11.8
111.00856	1.7
117.03445	3.3
120.99615	1.6
121.02966	3.2
122.03717	5.1
123.00900	28.4
123.04538	36.6
124.01319	1.3
124.04887	1.6
125.02458	3.1
128.34901	1.1
132.02173	5.0
133.02919	3.5
135.00854	2.2
136.01634	1.4
137.02451	1.9
138.03239	79.6
139.03558	2.6
143.03479	1.5
147.04533	1.8
148.01677	1.2
149.02357	2.1
150.03233	17.3
151.04002	2.5
153.01932	1.8
153.05544	2.4
160.01622	1.4
161.02446	23.2
162.03242	52.1
163.04031	25.9
164.01204	1.8
164.04565	1.6
165.05522	2.2
166.99881	1.7
167.03517	1.4
168.00603	2.3
169.01427	1.2
175.72482	1.1
177.05583	86.3
178.02725	40.5
178.05908	4.4
179.03482	11.5
181.05086	21.6
192.16264	1.2
193.05070	100.0
194.05655	8.1
195.06612	1.9
196.07396	17.1
204.24698	1.6
208.03714	1.4
211.09760	11.5
260.07309	1.3
280.18164	1.2
288.06375	1.9
303.08643	2.3
375.14667	6.9
390.16751	1.5
405.15485	51.2
405.20581	2.6
406.15939	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	29.5
61.98833	15.7
69.26961	44.9
69.27363	24.3
71.01378	16.2
86.01607	10.2
107.01372	12.0
123.00887	14.0
131.33521	13.7
139.04034	19.1
145.14819	10.6
151.00412	16.8
181.05106	12.9
197.04575	13.6
201.02161	10.7
225.11374	22.9
243.06657	100.0
243.12349	17.9
300.99966	18.3
357.17419	11.7
370.74512	12.2
405.16949	36.6
405.24951	25.5
406.05371	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	405.168
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50913	11.3
55.08689	11.7
58.42887	11.2
59.01389	77.9
61.17367	10.6
61.98818	19.5
68.77558	11.1
69.04589	100.0
71.01385	29.3
73.02954	15.0
73.94089	11.0
84.09786	10.2
85.02972	13.9
89.02429	30.1
98.21774	17.3
101.02475	30.4
113.02497	12.4
139.11299	15.6
164.04807	20.8
166.33824	13.2
179.07126	18.9
183.10503	14.4
243.12276	58.3
255.52209	11.9
405.16510	23.2
405.20993	50.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01838	0.7
56.65697	0.7
57.03432	1.6
59.01380	45.6
65.72068	0.8
67.22916	0.6
68.86147	0.7
69.12440	3.9
71.01369	2.6
73.02940	2.9
73.16392	0.6
80.13632	0.7
83.78349	0.8
85.02958	1.6
86.26863	0.8
86.53208	0.6
87.04494	0.9
89.02451	1.5
101.02457	4.4
113.02443	0.9
139.11293	21.7
140.11700	1.2
145.35867	0.8
165.09273	1.4
181.12352	11.1
182.12659	0.9
183.08653	1.5
183.10277	29.3
184.10551	1.7
199.13402	7.0
225.11343	10.2
243.12366	100.0
244.12708	7.7
257.13861	2.0
285.13440	32.5
286.13800	2.6
301.94693	0.7
315.14346	4.0
345.15552	23.3
345.19763	1.7
346.15891	2.6
405.17450	5.7
406.17838	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.2
57.34541	0.6
59.01382	50.6
59.72380	0.6
69.15319	4.9
69.15626	1.4
71.01385	5.5
73.02959	3.8
78.04694	0.7
87.04460	0.7
88.03582	0.7
89.02439	6.3
95.05000	0.8
98.22588	1.0
99.00881	1.7
101.02441	5.0
127.07683	0.8
131.03493	1.2
137.09735	0.8
139.11298	22.1
140.11617	1.1
149.04552	2.9
150.63828	0.7
151.23422	0.7
163.11247	0.6
165.09235	1.8
181.12352	13.7
183.10277	26.1
184.10638	1.6
191.05655	0.9
199.13380	7.3
225.11324	10.0
240.48972	0.6
243.12372	100.0
244.12671	5.6
257.13983	1.4
261.60229	0.8
285.13443	29.6
286.13846	1.5
287.43164	0.7
315.14529	4.4
331.99585	0.7
345.15558	27.2
346.15915	2.7
405.17563	7.3
405.21161	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23482	1.1
54.54736	1.1
58.00589	1.6
59.01105	2.1
59.01385	39.3
68.65542	1.1
69.05011	3.3
69.05432	5.5
71.01389	18.9
72.99283	1.4
73.02958	5.8
85.02978	5.1
89.02450	18.2
90.59705	1.0
95.01447	1.3
95.05042	1.2
98.75105	1.0
101.02458	8.4
103.48899	1.1
113.02463	8.4
119.03493	6.2
125.53257	1.0
139.11319	2.9
157.83324	1.2
163.11310	2.9
181.10832	2.0
181.12364	29.4
182.12712	1.2
183.10223	3.2
225.11327	100.0
226.11725	6.5
240.72076	1.1
243.12366	14.7
244.12828	1.7
285.13364	1.8
315.14224	1.5
405.17654	35.6
406.17957	3.5
428.12906	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.192
Annotation	Unknow
Peak:m/z	Relative Intensity
65.71355	0.4
69.03456	2.9
84.62956	0.4
86.34470	0.4
95.01413	1.3
97.02981	0.8
98.21782	0.6
107.05019	0.6
109.06568	0.4
123.04553	0.7
149.06079	0.5
151.04019	4.4
153.05586	5.3
164.34337	0.4
167.07193	0.4
179.16791	0.4
181.05075	100.0
182.05389	5.2
188.49843	0.3
196.07410	81.8
197.05957	0.6
197.07727	4.9
211.09763	82.1
212.10097	5.3
260.16260	0.3
277.58087	0.4
302.79019	0.3
352.43851	0.4
404.36429	0.4
405.26730	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
59.72954	0.5
69.11623	3.3
81.74161	0.5
84.87350	0.6
87.77634	0.5
104.71329	0.6
109.02946	3.6
118.98048	0.6
124.98075	0.5
135.04489	0.5
137.02454	53.1
138.02823	1.4
152.04779	4.3
160.82631	0.6
166.02814	0.6
167.07162	0.9
181.05081	32.8
182.05380	1.4
184.03769	1.8
196.07417	79.7
197.07813	3.7
211.09766	100.0
212.10089	5.6
221.80954	0.6
278.86234	0.5
283.74936	0.6
317.24261	0.6
361.23859	1.3
405.22522	1.0
405.26617	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.192
Annotation	Nigakilactone L
Peak:m/z	Relative Intensity
59.01345	1.6
62.38714	1.8
67.54473	1.5
69.61820	7.3
85.02971	3.0
85.06594	34.5
87.04525	5.1
92.68444	1.4
95.05041	5.8
97.06598	4.8
105.61141	1.3
111.04514	25.1
112.04808	1.4
113.06094	2.3
113.09731	9.8
125.06102	25.8
125.09657	1.8
127.82822	1.5
141.05617	6.7
149.06052	1.9
162.76642	1.6
166.06348	1.7
169.05072	100.0
170.05389	3.6
179.03485	2.7
181.08723	82.8
182.09045	5.0
183.06593	1.7
191.07149	1.4
193.05127	8.3
193.08714	4.2
194.05894	3.7
195.06636	2.9
197.08171	6.8
206.05930	1.7
209.08220	9.4
210.08478	1.4
221.08212	50.2
222.08624	4.1
223.09781	3.6
235.06192	3.3
235.09763	8.3
236.10564	5.0
245.08295	2.2
249.15031	4.7
251.09088	2.0
259.13449	1.9
260.10614	6.3
275.12872	2.9
290.15283	2.1
333.20605	3.6
361.20236	44.2
362.20560	3.0
375.48428	1.4
405.19150	44.6
405.23129	20.7
406.19379	4.4
406.23642	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	405.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51524	3.2
59.01385	7.0
62.69791	2.7
69.01795	10.6
69.02213	16.5
71.02740	3.0
71.59518	3.3
80.02341	3.4
80.93614	3.1
82.09187	3.0
95.04980	6.5
98.21788	5.0
98.74233	3.3
99.00887	8.3
107.05084	4.8
108.80783	2.9
111.00822	3.9
119.08641	5.0
123.08139	3.9
125.02418	13.6
134.03691	3.6
137.71190	3.5
147.08160	4.6
150.97116	3.3
193.15974	3.5
203.17976	10.4
217.15912	7.6
219.13937	3.4
219.17555	15.8
223.13449	27.6
231.17357	5.2
235.63863	3.0
245.15445	9.6
245.19176	4.1
247.17003	54.6
248.17473	6.2
273.22269	37.4
274.22665	4.1
291.16074	63.2
292.16418	5.1
317.21277	31.1
318.21460	5.2
335.15060	29.2
338.52789	3.0
361.20288	17.1
405.19128	100.0
405.26501	11.0
406.19513	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	405.2132
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01883	2.8
57.03451	1.5
58.00595	1.3
59.01383	33.7
65.90287	0.6
69.17231	2.7
69.17635	1.3
71.01385	22.4
72.99310	1.7
73.02943	5.0
80.39748	0.5
80.66953	0.5
83.01392	3.5
85.02959	9.0
85.06599	3.5
87.00893	2.0
89.02444	11.7
95.01399	2.2
97.06595	0.9
98.22596	0.8
99.00891	2.5
101.02441	13.8
113.02464	6.9
119.03513	4.5
153.12895	0.8
155.14435	7.6
156.14882	0.6
161.04597	1.3
179.05611	0.8
181.15982	3.1
199.13408	17.9
200.13823	1.0
225.14999	4.9
387.20386	1.5
405.21323	100.0
406.21576	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	405.2648
Annotation	3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate
Peak:m/z	Relative Intensity
61.98820	1.8
66.95863	0.8
123.08150	2.3
247.65181	1.0
291.71152	1.0
310.11823	1.3
311.20181	7.5
325.14590	1.4
327.23300	32.6
328.23651	3.7
343.26413	40.0
344.26547	5.6
361.27487	9.0
387.25357	8.2
388.25818	1.2
405.26456	100.0
406.26834	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	406.972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81676	0.6
59.01337	1.2
59.66798	0.6
68.99779	0.6
74.00957	0.6
77.54856	0.7
79.20235	0.6
79.84442	0.7
79.95680	1.1
96.96014	4.5
97.10341	0.6
125.02382	0.7
131.53592	0.6
132.02118	2.3
137.02411	0.7
140.71828	0.6
156.02126	2.5
160.01605	1.7
172.01633	0.9
176.01125	1.1
184.01634	3.5
188.01028	0.9
200.01178	5.3
209.08235	2.8
212.01048	2.8
216.00543	0.9
227.03505	1.1
228.00644	3.3
240.00671	13.0
241.05020	2.2
254.99373	1.5
255.03020	1.8
256.00131	3.0
256.03708	1.0
282.98859	1.6
283.99667	9.4
310.98401	0.9
311.99133	92.8
312.99530	7.7
327.01486	100.0
328.01825	9.1
406.97336	4.9
407.01938	0.8
407.07404	3.4
407.16727	4.5
407.24594	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	407.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.3
66.22628	0.5
69.46426	2.8
69.46716	0.8
71.01365	0.7
77.91082	0.5
89.02477	0.9
101.02448	0.6
107.06330	0.6
108.02186	3.3
109.02962	79.8
110.03323	2.6
117.03446	0.8
119.07311	0.5
121.02970	5.3
127.05710	0.5
136.01654	0.6
137.02458	75.2
138.02797	2.3
145.02972	7.4
147.04543	0.8
158.03732	3.7
159.04553	3.6
165.01952	12.8
179.03500	3.3
180.04306	7.2
183.04401	0.6
193.06624	0.8
195.06636	9.1
195.08279	1.0
196.05315	1.4
197.06108	6.5
198.06499	0.7
199.07669	4.1
210.05284	1.2
211.07581	1.4
221.06056	1.8
222.06706	0.8
223.07692	3.6
224.04817	2.0
225.05568	3.6
225.07710	6.7
227.12856	1.8
239.07132	2.4
249.05563	5.8
250.06265	1.2
265.05029	0.7
266.05807	2.0
267.06641	100.0
268.06961	7.7
297.07697	65.2
298.08060	6.3
315.08722	1.9
329.10220	1.3
359.15045	2.5
407.11557	1.9
407.19086	2.7
407.26181	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
69.59166	5.6
69.59583	2.2
94.56892	1.5
96.96020	15.7
106.71072	1.3
109.02931	2.5
119.05005	5.3
125.02441	1.8
126.36504	1.5
129.03499	8.9
130.04222	1.9
135.04533	26.0
137.02417	3.1
143.05038	3.3
145.02982	2.5
147.04521	34.2
159.04526	8.4
165.05580	60.9
166.05867	2.6
169.06636	1.7
171.04604	3.5
173.06131	4.3
175.07649	2.8
179.03525	1.9
181.05107	2.0
185.06114	10.3
194.05789	2.3
195.04459	2.2
196.05217	2.7
196.07404	1.9
197.06082	10.8
199.04024	9.4
199.07718	3.3
201.05606	8.4
209.08150	4.0
211.09735	1.9
212.04784	3.0
213.01915	3.4
213.05605	13.6
225.05583	2.5
227.03607	1.7
241.01289	4.0
241.05077	69.1
242.05556	6.3
243.06622	100.0
244.07004	6.6
255.02992	4.0
269.00882	6.1
368.80472	1.6
397.55142	1.5
407.07877	6.1
407.16995	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	407.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97306	1.1
59.83466	1.2
69.02802	9.2
69.20081	1.1
69.30632	1.0
83.79147	1.1
93.03459	2.8
121.02962	3.8
122.03750	11.7
132.02344	1.1
136.01656	1.6
149.02446	22.6
150.03244	88.4
151.03568	3.4
164.04813	3.2
165.05583	100.0
166.05887	4.2
168.69644	1.3
180.04285	7.7
181.04977	2.4
195.06639	61.6
196.07109	5.1
200.36884	1.2
211.09773	2.0
251.27853	1.1
255.02744	1.2
325.66177	1.6
358.21036	1.6
359.15012	2.9
407.26401	5.6
408.26892	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99789	1.3
74.55181	1.1
93.03465	4.8
96.35395	1.3
108.16910	1.3
121.02953	11.3
122.03760	13.9
123.00896	1.3
123.04549	3.9
133.02953	1.4
137.02483	1.5
149.02460	100.0
150.03255	89.9
151.03632	2.2
159.01913	1.4
164.04807	25.0
165.05589	96.0
166.05885	6.0
180.04303	5.4
181.05081	4.9
182.05850	2.1
193.08702	5.5
195.06645	49.9
196.07333	6.7
197.08170	3.7
211.09753	5.2
255.03053	2.6
256.21729	1.3
281.89340	1.3
315.12411	1.7
344.12576	12.4
359.15030	76.4
360.15491	7.6
407.07687	4.3
407.17432	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1713
Annotation	Spicatolide E
Peak:m/z	Relative Intensity
57.03454	3.9
59.01387	5.0
70.93039	0.8
70.93382	0.7
71.01383	0.9
81.03430	1.0
83.01404	1.0
85.02956	6.7
85.06622	1.7
87.04507	1.6
88.91848	0.7
95.01398	2.0
95.05029	8.4
97.02945	1.3
107.05036	0.7
109.02953	3.0
111.00905	1.1
111.04529	15.4
111.08150	0.9
112.04852	0.8
113.02470	6.8
113.06090	5.5
117.31622	0.8
121.02972	1.2
121.06642	1.5
123.04533	3.5
125.02452	2.1
125.06106	2.4
126.53589	0.7
127.07664	1.2
135.04515	1.3
137.02495	2.0
137.06061	2.3
139.07645	2.9
141.09206	1.1
145.38860	1.0
151.03981	1.8
151.07660	0.8
155.07138	3.5
163.04167	0.8
163.07683	2.1
165.05591	5.4
165.09221	1.2
167.07114	3.9
169.05022	1.3
169.08662	1.2
171.86079	0.8
175.07684	1.2
177.05542	0.8
179.07106	3.2
181.05070	4.0
181.08771	2.1
182.26799	0.9
183.06628	36.4
184.06914	1.2
191.07062	1.0
192.07803	0.9
193.05080	2.1
193.08676	2.7
195.06587	3.5
205.05084	1.0
207.06596	7.6
209.08205	1.0
217.08690	1.1
220.07401	0.9
221.08244	2.3
223.06161	2.3
223.09723	1.1
225.07607	2.7
233.08162	2.5
235.09740	2.9
237.07674	3.1
239.09171	0.8
261.07584	3.2
275.09152	1.9
277.10806	2.3
289.10672	1.4
295.12067	1.0
305.13980	1.7
307.11807	6.2
332.12582	1.4
338.44492	0.7
347.14847	2.2
349.13138	1.9
363.18158	1.1
363.25305	0.9
389.16092	9.7
390.16409	0.9
407.17099	100.0
408.17450	11.1
408.23703	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53651	4.0
55.01880	4.3
57.03448	4.6
59.01366	9.8
61.98780	3.0
65.00376	2.9
68.78669	3.1
69.03460	4.4
73.37012	3.1
79.01881	10.9
83.01373	6.0
85.02968	17.8
85.06558	3.1
87.04504	6.6
91.05222	3.7
95.01398	9.2
97.02940	8.2
109.02958	10.2
109.06597	10.2
111.00858	5.4
111.04544	24.7
113.02448	10.1
113.06080	7.1
114.50845	3.2
123.00876	8.7
123.04507	4.2
123.08191	7.1
124.01677	7.0
125.02442	17.0
125.06091	50.3
125.09723	5.8
127.07642	4.6
137.02391	5.4
137.09782	5.6
138.03206	12.1
139.00374	10.2
139.07683	4.1
141.01982	16.5
148.09628	3.7
149.06017	6.1
151.00368	11.7
151.07686	5.0
152.00923	4.8
153.09265	7.2
165.01883	4.5
165.05515	3.3
166.02687	9.9
167.07092	5.7
168.00650	9.2
169.08746	9.1
170.02174	4.9
178.99934	4.2
179.07169	8.7
180.07883	5.7
181.08749	11.4
182.09045	4.2
183.06589	9.5
189.50916	3.5
191.07127	7.6
193.08731	21.2
194.05801	4.6
195.06660	23.8
197.08186	16.1
198.05222	3.8
207.06667	28.9
208.07407	9.4
209.08199	100.0
210.08649	9.5
211.06137	71.9
212.06818	13.2
219.06610	3.5
219.10448	4.0
221.04688	6.5
221.08192	53.1
221.11642	4.4
222.08447	4.3
222.12184	4.5
223.06122	14.7
225.07683	92.1
226.08083	7.9
233.08012	3.8
234.08870	4.3
235.06114	35.2
236.06920	24.0
237.07684	86.7
238.08051	7.9
239.05589	5.5
239.09244	43.9
242.59045	3.5
248.06862	9.9
249.07622	11.5
251.09224	5.0
253.07193	55.4
254.07942	61.6
255.08253	4.3
263.08737	3.1
345.13480	6.7
363.18109	12.5
363.22095	4.0
363.28229	4.0
388.65552	3.9
389.15747	36.7
390.16180	3.9
407.16852	16.8
407.20755	92.0
407.26608	6.8
408.21347	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	407.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	8.2
63.96226	1.8
64.89052	1.4
69.18346	2.6
69.18744	7.7
71.01395	5.2
73.02917	1.3
78.62706	1.5
89.02446	4.6
101.02441	2.7
108.02202	3.8
109.02964	84.2
110.03252	1.6
114.20133	1.4
121.02983	6.5
122.03281	1.2
125.02489	2.6
137.02452	92.9
138.02835	3.6
143.12801	1.2
145.02925	8.0
153.01918	2.5
158.03751	2.0
159.04541	5.0
165.01942	81.0
166.02309	1.8
166.06342	1.7
166.19981	1.3
179.03528	18.9
180.04301	42.6
181.04741	2.5
181.08769	1.3
182.05891	3.1
183.13939	4.1
194.05902	5.2
195.02985	2.9
195.06636	64.6
196.06960	3.1
197.06087	6.2
197.08191	3.9
199.07654	4.1
210.05302	11.0
221.06046	2.1
223.07716	3.9
224.04689	1.6
225.05565	3.6
225.07671	36.7
226.07999	4.3
227.12846	4.8
239.07079	1.5
245.13989	2.3
249.05548	4.3
255.03053	3.4
256.03653	2.3
267.06641	100.0
268.06937	10.0
289.14600	3.0
297.07700	63.8
298.07986	6.3
315.08511	3.1
329.10364	6.7
344.12683	4.8
359.15024	14.3
360.15524	2.1
407.07587	3.2
407.13815	1.6
407.19171	10.2
407.26407	3.3
431.84921	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1713
Annotation	Eurycolactone F
Peak:m/z	Relative Intensity
55.01870	2.5
57.03430	2.7
59.01357	4.1
69.03439	1.9
70.00633	2.6
71.05002	2.1
72.99268	1.1
79.01872	2.1
81.03428	1.1
85.02961	6.0
85.06579	2.1
87.04501	2.8
93.03440	1.3
95.01382	2.1
95.05022	6.9
95.05537	1.4
96.95982	1.6
97.02925	2.4
107.05048	1.2
107.08628	3.6
109.02917	2.9
109.06586	1.9
109.46737	1.0
111.00832	1.3
111.04520	14.2
111.08148	1.7
113.02459	29.4
113.06080	2.5
121.02908	1.1
123.04513	2.5
123.08162	5.8
125.02454	9.7
125.06042	4.0
125.08979	1.4
125.09731	16.3
125.86771	1.1
126.10059	1.3
127.07591	1.2
135.04512	1.1
135.08018	1.4
137.06129	2.5
138.03206	1.9
139.03972	1.7
149.02422	1.7
150.03192	2.3
151.00343	1.8
151.03975	2.8
151.07587	2.2
155.07114	2.8
162.45624	1.1
165.05507	4.9
165.09105	2.5
166.06331	1.7
167.07083	2.0
168.00609	1.4
169.01424	2.3
169.08630	3.8
177.01849	4.7
177.05510	2.8
178.06360	1.5
179.07040	3.2
179.10686	1.8
181.05025	1.6
181.08690	2.4
183.05154	1.4
183.06636	17.7
191.07050	2.5
191.87288	1.3
193.05002	1.5
193.08575	3.9
195.06630	11.0
197.08180	1.5
207.04819	1.3
207.06596	5.9
207.10149	2.6
209.08188	11.2
220.07266	4.6
221.08113	3.6
225.07619	3.7
233.11758	1.6
235.09778	10.7
237.07634	3.8
237.11255	2.4
247.09734	1.5
249.11052	1.6
251.12862	5.8
270.12238	1.2
275.88312	1.2
290.19672	1.1
295.11844	7.6
303.15707	1.7
322.04837	1.2
345.13052	1.3
345.16800	2.9
347.15097	2.2
363.17941	2.5
379.17773	1.9
389.15964	13.1
390.16049	2.1
407.16837	100.0
407.28375	5.0
408.17288	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	407.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.1
57.03428	2.1
58.00594	2.6
59.01382	53.8
60.97530	1.9
63.96231	4.6
65.20068	1.1
71.00984	1.5
71.01385	41.3
72.99304	8.0
73.02945	12.9
73.98329	5.2
74.99100	56.4
76.97006	1.7
80.55812	1.2
83.01395	3.4
85.02957	17.0
87.00352	2.5
87.00879	40.9
87.04508	9.9
89.00671	1.1
89.02451	22.2
89.42625	0.9
91.70791	0.9
95.01368	3.1
97.03009	1.2
98.21685	2.4
99.00877	2.9
101.02442	23.4
101.06078	1.4
111.04543	2.1
113.02460	9.4
115.63814	1.3
117.97347	1.2
118.49750	1.1
119.03481	8.0
123.00893	1.6
123.04625	1.3
125.02462	3.4
127.73654	1.1
129.82430	1.1
132.99620	3.3
135.98354	3.1
136.99153	2.5
143.03552	1.2
149.02444	6.3
149.09702	4.5
150.03223	3.8
151.00668	5.6
159.02950	1.1
161.04547	9.1
164.04785	2.3
165.05580	5.8
167.10773	5.1
169.01392	1.5
171.10219	2.1
179.05640	1.6
179.07115	1.3
195.06639	5.3
201.15019	2.6
225.66887	1.2
227.12860	1.6
240.31274	1.2
245.13976	1.1
255.16043	17.4
256.03983	1.4
256.16614	1.2
261.13452	10.1
283.13724	1.2
359.14960	4.4
371.09869	2.1
371.56891	1.3
389.17163	1.8
407.07974	3.0
407.18350	100.0
408.18588	12.2
408.26239	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.1
57.03428	2.1
58.00594	2.6
59.01382	53.8
60.97530	1.9
63.96231	4.6
65.20068	1.1
71.00984	1.5
71.01385	41.3
72.99304	8.0
73.02945	12.9
73.98329	5.2
74.99100	56.4
76.97006	1.7
80.55812	1.2
83.01395	3.4
85.02957	17.0
87.00352	2.5
87.00879	40.9
87.04508	9.9
89.00671	1.1
89.02451	22.2
89.42625	0.9
91.70791	0.9
95.01368	3.1
97.03009	1.2
98.21685	2.4
99.00877	2.9
101.02442	23.4
101.06078	1.4
111.04543	2.1
113.02460	9.4
115.63814	1.3
117.97347	1.2
118.49750	1.1
119.03481	8.0
123.00893	1.6
123.04625	1.3
125.02462	3.4
127.73654	1.1
129.82430	1.1
132.99620	3.3
135.98354	3.1
136.99153	2.5
143.03552	1.2
149.02444	6.3
149.09702	4.5
150.03223	3.8
151.00668	5.6
159.02950	1.1
161.04547	9.1
164.04785	2.3
165.05580	5.8
167.10773	5.1
169.01392	1.5
171.10219	2.1
179.05640	1.6
179.07115	1.3
195.06639	5.3
201.15019	2.6
225.66887	1.2
227.12860	1.6
240.31274	1.2
245.13976	1.1
255.16043	17.4
256.03983	1.4
256.16614	1.2
261.13452	10.1
283.13724	1.2
359.14960	4.4
371.09869	2.1
371.56891	1.3
389.17163	1.8
407.07974	3.0
407.18350	100.0
408.18588	12.2
408.26239	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	0.3
61.98793	0.3
69.71970	0.7
69.72353	0.5
79.95744	3.4
81.69677	0.2
82.89513	0.2
96.96017	100.0
97.06593	0.2
97.95953	0.3
100.72594	0.2
143.07117	1.4
148.05339	0.6
158.47084	0.2
170.54169	0.2
183.13969	0.8
216.76889	0.3
228.01010	0.4
247.20700	1.8
248.21149	0.3
271.02612	0.3
273.18515	0.3
276.27106	0.2
277.86627	0.2
291.19699	2.0
297.56308	0.3
309.20706	2.4
310.21155	0.4
327.21750	11.3
328.22198	1.3
361.52588	0.2
407.08240	1.5
407.17450	51.1
408.17719	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	407.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48888	0.4
68.69322	0.4
70.33112	1.3
79.95745	3.6
90.60536	0.4
95.58710	0.4
96.96018	100.0
97.06599	0.6
98.98817	0.5
143.07162	1.5
183.13930	1.0
188.80571	0.5
219.03148	0.5
228.01164	0.5
247.20807	1.9
291.19638	1.8
309.20685	2.1
327.21817	10.8
328.22186	0.8
369.85553	0.5
407.17459	45.9
408.17700	4.7
430.15948	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.5
59.01381	100.0
67.14605	1.2
67.42037	1.4
69.17175	9.6
69.17509	1.2
69.24782	1.2
70.52973	1.4
71.01385	25.0
72.99338	1.6
73.02950	9.4
74.99104	4.1
83.01387	2.1
85.02959	11.3
86.86943	1.5
87.00867	3.3
89.02441	8.9
90.74062	1.5
96.98463	1.3
98.21779	3.2
99.00880	3.5
101.02446	17.5
109.02949	2.9
113.02467	8.9
119.03526	2.8
121.56101	1.3
123.04526	1.6
123.77814	1.4
125.02467	1.9
128.03574	3.0
133.05103	2.3
143.03577	2.2
143.04646	3.3
144.04955	2.2
151.03914	2.0
159.03006	2.1
160.99721	1.3
161.04568	32.0
185.11896	3.2
199.04066	1.9
211.04022	4.7
214.02713	1.9
215.03416	1.5
227.03510	8.0
228.04301	5.7
243.02969	5.3
245.13905	2.1
253.05168	2.1
255.03023	24.1
256.03705	15.2
257.04437	3.4
257.12857	3.9
273.09412	1.6
281.04593	3.3
282.01846	2.0
283.02451	4.3
285.04120	5.3
287.14026	4.8
288.02737	3.3
307.03387	1.5
313.11935	1.5
331.13013	7.2
347.17181	16.0
389.18317	1.8
407.07785	51.6
407.19516	15.1
408.08200	7.7
408.15189	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49353	0.7
50.79944	0.7
55.01860	1.1
57.03451	1.3
58.00591	4.4
59.01382	100.0
60.01719	1.0
63.96251	0.8
65.39849	0.6
69.03473	1.5
71.01387	50.8
72.01741	0.7
72.99304	6.3
73.02951	34.4
74.03262	0.8
75.00859	0.8
81.03465	1.0
83.01378	4.1
85.02959	18.1
86.00120	2.2
87.00880	13.1
87.01398	0.8
87.04504	3.9
89.02451	43.5
90.02805	0.7
93.03482	1.5
95.01433	2.1
97.02974	1.5
99.00925	1.0
99.04542	0.9
101.02451	57.1
102.02800	1.1
103.04019	24.0
108.02169	0.8
109.02970	1.4
111.04580	0.6
113.02460	9.6
115.04030	8.0
119.03506	17.6
120.99683	0.7
123.00918	1.3
125.02442	6.4
127.04068	1.8
131.03510	13.1
137.02477	1.2
139.11351	1.8
142.96950	0.8
143.03502	17.6
145.05086	6.7
149.02505	2.1
150.03262	1.1
153.02031	1.3
155.07156	1.0
161.04564	1.6
163.06131	38.4
164.04868	3.9
164.06532	1.1
165.05521	0.7
169.01462	2.8
171.10355	2.6
179.03644	1.7
179.05659	2.5
179.07224	3.5
180.06024	0.7
181.12436	1.7
183.10370	2.8
194.05904	1.4
195.06683	1.3
205.07182	30.0
206.07593	1.5
209.08421	1.4
225.11467	1.1
243.12416	6.4
244.12727	1.0
255.03043	0.8
256.03903	0.7
261.13535	1.2
265.09363	1.1
275.15063	1.7
313.05667	0.6
372.98361	0.6
407.10086	4.5
407.19193	8.4
407.26569	3.7
408.09601	1.5
408.19675	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	6.0
57.03459	4.4
58.00577	1.7
59.01382	40.4
69.00591	6.1
69.01123	0.6
69.03449	2.0
71.01387	57.9
72.01730	0.8
72.99300	2.8
73.02950	29.2
74.03264	1.0
75.00854	1.8
81.03451	0.8
83.01390	13.2
85.02955	32.7
86.00079	1.6
86.03278	1.2
87.00868	2.5
89.02444	15.3
95.01368	5.0
97.02934	2.9
99.00896	11.4
100.44743	0.7
101.02450	60.1
102.02790	1.5
111.00873	2.0
113.02457	23.9
114.02707	0.8
115.03997	1.7
118.40439	0.8
118.41265	0.7
119.03505	2.3
122.81339	0.7
125.02459	4.4
129.01918	1.3
131.03467	3.7
143.03473	2.9
149.04559	2.7
159.03014	4.7
161.04565	23.3
162.04858	0.7
171.10332	0.9
179.05695	0.8
186.66841	0.7
191.05696	1.8
213.05342	0.8
233.06541	3.1
275.15005	100.0
276.15387	6.8
319.14035	0.8
390.09671	0.7
407.19223	58.9
408.19522	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	407.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	4.5
57.03455	3.1
58.00596	1.3
59.01383	36.3
67.01923	0.5
68.99805	0.7
69.03452	1.6
69.38029	1.2
69.38410	1.1
71.01389	44.3
72.01718	0.6
72.99309	1.9
73.02949	21.6
75.00872	1.1
81.41182	0.4
83.01395	14.2
85.02958	24.7
86.00118	1.2
86.03360	0.4
87.00889	2.2
89.02449	5.6
95.01395	3.9
97.02956	1.8
97.06650	0.4
99.00887	7.1
99.01479	0.8
101.02453	51.1
102.02803	0.7
103.04040	2.1
111.00896	0.9
113.02459	19.5
119.03492	1.5
123.00886	0.5
125.02454	3.6
129.01947	0.6
139.00378	0.4
141.09209	0.6
143.03523	3.0
145.05087	0.5
151.00383	0.5
159.02997	4.4
161.04570	24.1
162.04895	0.5
163.06163	1.1
169.01462	1.6
170.09831	0.5
205.03447	0.5
227.12848	1.2
229.07133	1.0
245.13940	1.0
247.08267	1.2
261.13440	100.0
262.13800	6.5
305.12375	0.8
331.08710	0.4
383.74600	0.4
407.07660	2.0
407.13101	3.2
407.19223	48.8
407.62790	1.4
408.19614	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	407.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	9.1
57.03444	4.7
58.00591	1.7
59.01384	45.7
62.40084	0.9
69.03437	1.9
70.85139	2.4
71.01391	64.6
72.01695	2.5
72.99296	2.3
73.02953	33.9
75.00870	2.5
83.01401	15.7
85.02957	34.4
86.00100	2.6
86.03286	1.1
87.00885	3.1
89.02457	14.4
95.01399	4.8
97.02967	3.4
99.00886	14.4
101.02453	67.3
102.02788	1.2
111.00913	2.0
113.02467	24.1
113.87218	1.2
115.04035	1.6
119.03516	1.7
125.02446	4.0
129.01935	2.5
129.62563	0.9
131.03482	4.0
131.67630	1.0
143.03467	2.9
159.03011	5.0
161.04568	28.5
162.96024	1.2
191.05559	1.2
192.49792	1.0
212.61382	1.0
233.06613	3.3
275.15027	100.0
276.15506	6.6
407.19220	60.3
408.19656	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	407.2072
Annotation	Trichodermatide A
Peak:m/z	Relative Intensity
57.03439	0.9
59.01392	3.4
69.03426	0.7
71.01404	0.6
83.05016	0.9
85.02960	5.3
95.01381	1.4
95.05035	2.8
97.02963	1.4
99.08115	0.6
101.06062	1.2
108.02162	0.8
109.06618	2.2
111.04537	3.8
113.02471	4.8
119.08674	0.6
121.06577	1.0
123.04546	1.8
123.08134	1.1
125.02475	7.4
125.06088	13.1
125.09721	2.3
127.07650	0.9
135.08147	0.8
137.02498	0.7
137.09735	18.9
138.03210	1.7
139.04001	1.2
150.03218	1.6
151.00365	1.7
153.09189	1.5
165.01918	3.7
165.09262	2.0
166.02702	2.1
167.03516	1.6
169.03900	0.7
177.01906	0.8
177.09213	0.8
179.07150	3.0
180.07855	0.8
181.05038	0.7
181.08678	1.3
183.06664	0.8
190.02744	0.9
191.07190	2.7
192.07979	2.0
193.08582	0.7
195.06656	0.9
195.10304	2.0
197.08220	25.2
198.08572	1.6
205.08711	1.4
207.06651	1.7
207.10289	5.6
208.07416	2.6
209.08183	26.8
210.08557	1.5
221.08156	3.8
223.09677	0.9
225.07701	6.0
233.08247	1.1
234.08939	3.4
235.09698	1.3
236.06360	0.9
237.06776	1.5
239.09254	2.6
251.09261	17.0
251.11725	1.2
261.07779	1.1
305.13800	0.8
347.18597	3.9
348.59286	0.7
365.19916	1.2
389.19739	5.2
407.20779	100.0
408.21167	13.8
415.17230	0.7
418.62817	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.2
62.97107	0.3
68.99807	0.8
69.03452	0.5
69.33116	1.9
71.01373	0.5
71.05028	0.4
83.05029	0.5
85.69318	0.3
87.04508	2.3
95.66598	0.3
97.02963	0.4
97.06570	0.5
99.00873	0.4
99.08164	1.0
101.06091	3.9
108.02172	0.4
109.02953	0.7
109.06596	0.5
111.04599	0.5
115.64487	0.3
119.08642	0.4
121.06566	0.8
123.04542	0.4
123.08181	0.5
124.01645	0.7
125.02441	1.2
125.06091	9.5
126.06416	0.4
127.07651	0.4
135.08156	0.4
137.09726	0.7
138.03221	1.2
139.04042	0.5
139.07651	0.3
147.08188	1.2
149.05995	0.5
149.09784	2.1
151.00368	0.4
151.03943	0.4
151.07643	0.5
153.00879	0.3
153.01956	1.9
154.02727	3.6
155.06990	0.3
161.06064	0.4
165.09229	0.6
166.02676	0.9
167.03477	2.4
173.09697	0.6
175.07671	1.5
177.05576	0.4
177.09235	0.4
180.00659	2.9
181.01318	0.9
181.05125	0.5
182.02220	17.3
183.02559	0.7
183.06621	1.7
189.09218	0.4
191.07214	0.8
191.10904	0.5
193.08690	0.8
195.02962	1.5
195.06630	1.8
196.03705	0.7
196.64891	0.3
205.04964	0.4
207.10124	0.4
208.07256	0.3
209.04857	0.3
209.08215	8.9
210.08478	0.6
220.07378	0.7
221.08162	1.4
222.08951	0.5
223.06061	1.7
223.09808	0.8
231.17372	0.4
237.07706	5.9
237.14972	2.1
238.08467	41.4
239.08783	2.7
247.09814	0.4
253.14471	2.4
261.14850	0.8
263.12845	0.9
277.14273	0.6
279.15887	1.6
281.14014	1.8
304.94473	0.3
305.13940	1.5
323.14871	2.1
361.20099	0.8
379.21478	0.5
389.19830	0.8
392.18491	0.5
407.20758	100.0
408.21130	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	407.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.1
66.09587	0.6
71.01323	0.4
83.05029	0.6
87.04516	2.1
101.06079	4.3
109.02956	1.0
109.06592	0.7
111.04540	0.6
111.08130	0.5
113.72107	0.4
120.24777	0.4
121.06632	0.5
122.03723	0.8
125.02463	1.0
125.06091	7.3
135.08147	0.7
138.03227	0.9
139.07703	0.5
147.08170	0.6
149.09715	1.5
151.00407	0.6
153.01926	1.6
154.02740	3.2
165.09134	0.7
166.02715	1.4
167.03506	2.3
175.07646	2.0
180.00639	2.0
181.01476	0.7
182.02225	14.2
183.06601	1.9
191.10799	0.6
193.08723	1.1
195.03008	1.2
195.06622	1.1
196.03812	0.8
209.08195	7.9
220.07359	0.8
221.08151	0.9
222.08948	1.3
223.06073	1.3
223.09630	0.8
229.11084	0.6
237.07658	5.2
237.15005	2.0
238.08467	36.8
239.08865	3.2
241.04079	0.5
253.14496	2.3
256.43417	0.5
261.14853	0.7
263.12845	0.8
273.14871	0.5
279.16116	0.9
281.14026	2.1
289.14523	0.7
305.14008	1.3
323.14893	1.4
361.20486	0.8
389.19699	0.8
401.10632	0.6
407.20776	100.0
408.21112	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	407.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.6
58.43162	0.5
68.19922	0.5
71.05010	0.7
76.97925	0.5
87.04516	2.3
98.22694	0.6
99.08162	1.3
101.06108	3.0
104.08018	0.5
109.02924	1.3
109.06600	1.0
111.04559	0.7
123.08173	0.7
125.06099	9.9
137.02441	0.8
137.06041	0.7
147.08115	0.6
149.06044	0.5
149.09698	2.2
153.01926	2.2
154.02719	2.4
165.09229	1.2
166.02682	1.2
175.07651	1.6
180.00664	1.3
181.01407	1.5
181.05023	0.7
182.02211	9.8
183.06657	1.2
191.07074	1.2
191.10641	0.6
193.08711	0.8
195.06564	1.6
203.10800	0.6
209.08176	7.6
209.83966	0.5
220.07378	0.7
221.08253	0.5
222.08890	1.4
223.06155	1.2
223.09656	1.2
237.07715	6.1
237.14912	1.8
238.08473	34.5
239.08806	1.7
245.15413	0.6
253.14462	1.9
261.14886	0.7
279.15973	0.8
280.73828	0.6
281.13937	2.2
289.14594	0.8
305.13760	1.3
323.14902	1.0
361.20392	1.0
379.21078	0.9
389.19586	0.8
407.20773	100.0
408.21198	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	407.2078
Annotation	Trichodermatide A
Peak:m/z	Relative Intensity
55.01878	0.7
57.03436	3.4
59.01375	2.1
69.03471	1.0
69.09026	1.9
69.09439	3.9
79.01891	1.0
83.05035	1.1
85.02973	5.9
95.01376	2.3
95.05022	1.5
97.02972	2.4
99.08161	1.7
101.06086	1.5
109.02959	1.6
109.06602	2.0
111.00865	1.4
111.04518	2.6
111.08155	0.9
113.02454	7.8
116.98669	0.8
118.77676	0.8
121.06551	0.9
123.00930	0.8
124.01662	1.2
125.02474	5.1
125.06096	14.6
125.09702	0.8
135.08165	1.5
137.02449	1.9
137.09726	2.2
138.03241	3.2
139.04044	2.5
140.53969	0.7
141.01981	2.5
149.09702	0.7
150.03178	1.3
151.00375	1.1
153.09204	2.7
155.03491	0.7
158.93707	0.8
162.06836	0.8
164.01175	1.1
165.01913	1.9
165.09224	1.0
166.02734	2.4
167.03571	1.0
168.00679	0.9
169.01469	1.1
170.02171	0.8
177.01862	0.9
177.09189	1.8
179.07095	4.6
179.10652	1.0
180.07896	1.9
181.08690	2.0
183.06519	1.0
190.02618	0.9
191.07175	2.1
192.07910	1.3
193.08694	4.3
195.06610	2.5
195.10245	3.7
197.08189	18.5
198.08617	1.0
207.06644	3.2
207.10310	3.5
208.07495	1.8
209.08214	20.4
210.08591	1.7
211.06119	7.1
212.06712	1.3
219.06581	1.0
219.13785	1.1
221.08197	17.1
222.08549	0.9
223.06104	1.9
225.07675	9.6
226.08141	0.8
234.08965	3.5
235.06139	2.6
235.09717	1.3
236.06857	1.9
237.07674	10.0
239.09247	10.0
251.09296	6.3
252.09616	0.9
253.07213	6.1
254.07945	6.8
255.60785	0.8
262.58270	0.7
263.12930	1.6
282.78534	0.9
289.34006	0.9
347.18680	3.8
365.19879	1.3
389.15091	3.7
389.20309	5.5
407.20782	100.0
408.21109	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	407.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.3
68.98020	9.8
69.92377	0.9
79.01885	1.7
87.04546	1.6
95.05026	1.5
98.21833	2.6
111.04533	11.7
123.08156	5.0
124.01685	1.4
124.73731	1.2
125.02450	7.7
139.03999	1.4
151.00365	1.5
152.04825	1.3
165.05585	2.9
167.07146	1.2
169.05090	1.6
177.05548	10.1
179.07115	2.5
180.04305	1.4
184.03783	1.7
184.83618	1.0
193.05006	1.1
195.06635	42.3
196.06943	2.3
205.12442	1.4
208.07426	3.0
209.08159	3.3
212.06880	1.6
226.36122	1.0
237.07710	1.4
258.17325	1.2
313.18066	6.0
331.19180	1.4
375.18140	100.0
376.18497	12.9
391.29935	3.4
407.20663	3.6
407.33319	10.2
408.33365	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	407.2077
Annotation	Trichodermatide A
Peak:m/z	Relative Intensity
58.67795	0.8
59.01374	2.3
70.64887	0.7
71.28518	1.4
79.01902	1.0
81.03460	0.9
83.05001	1.0
85.02957	4.4
85.06557	1.0
85.93816	0.7
87.04509	2.1
95.01393	1.3
95.05000	3.9
97.02961	1.1
101.06101	1.1
109.02944	1.1
109.06602	1.6
111.04523	2.9
113.02452	5.3
123.04535	2.5
123.08164	1.4
125.02438	6.2
125.06092	15.4
125.09747	2.1
126.06471	1.1
127.07664	1.1
135.08199	1.4
137.02513	1.0
137.09738	18.0
138.03239	2.8
139.04019	2.2
139.07620	0.9
149.72670	0.9
150.03197	1.4
151.03998	1.3
152.30417	0.7
153.09236	0.8
157.11879	0.7
163.11243	0.8
165.01930	3.4
165.09221	2.5
166.02716	2.3
167.03506	2.0
169.08667	1.3
177.09212	1.0
179.07158	2.2
179.10783	0.9
180.07932	1.7
181.08754	1.2
183.06653	1.0
190.02795	1.7
191.07143	2.9
192.07956	2.8
193.08626	1.1
195.10333	2.0
197.08203	27.4
198.08647	1.0
205.08698	1.2
207.06917	1.0
207.10307	6.2
208.07414	2.5
209.06155	1.4
209.08195	28.0
210.08571	1.7
212.07004	1.0
219.10313	0.8
221.08208	7.1
223.09741	1.2
225.07561	0.9
234.08957	3.1
235.09729	1.7
238.08501	2.0
239.09251	2.5
251.09265	14.8
252.09354	0.9
263.12897	1.2
281.13837	1.3
347.18619	3.8
347.25726	0.7
363.18079	1.9
364.18900	0.9
365.19632	0.9
367.84650	0.8
389.19937	4.7
407.20798	100.0
407.32764	2.2
408.21161	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	407.2804
Annotation	Cholic acid
Peak:m/z	Relative Intensity
57.03453	12.8
59.01358	0.7
69.91238	1.3
69.92307	0.4
71.11692	0.3
83.05025	1.3
96.96017	1.9
103.29158	0.4
151.11319	0.6
155.37654	0.3
197.65434	0.4
247.20708	2.2
255.03030	0.6
287.17307	0.4
287.20197	1.2
287.23752	0.7
303.23215	2.7
305.24908	4.8
306.25128	0.6
327.01788	0.8
331.22876	0.6
349.23889	7.3
350.24142	1.0
385.31046	0.4
389.27118	0.8
407.28064	100.0
408.28433	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	407.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
71.27058	0.2
71.27452	0.3
78.95904	0.3
80.02683	1.5
81.03442	0.5
84.70970	0.2
85.06573	0.2
86.54664	0.2
95.05085	0.2
96.31176	0.2
96.95994	0.4
97.06609	0.6
101.43822	0.2
106.04258	0.3
106.48844	0.2
121.06593	0.3
135.08105	0.2
137.09727	3.6
141.30583	0.2
149.09746	1.1
151.11264	0.2
185.20390	0.2
187.14809	0.2
189.12891	0.3
201.71208	0.2
203.14493	0.3
309.27637	0.2
331.56128	0.2
361.25537	0.4
363.26910	0.3
375.27072	0.6
377.28574	2.3
378.29041	0.4
384.46741	0.2
391.30109	2.8
392.30414	0.5
403.30203	1.4
405.31610	0.9
407.33203	100.0
408.33551	15.8
421.31107	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33327	5.9
52.34926	6.5
53.62854	5.6
57.12038	6.1
58.65863	5.7
59.01380	96.1
60.01704	15.4
61.01806	13.8
61.98562	7.9
61.98835	100.0
71.01369	14.6
71.63521	7.0
83.05026	8.5
84.49920	5.7
101.02458	8.7
109.02906	7.1
123.04530	8.6
125.02483	36.5
151.04037	14.1
161.02393	7.8
168.04237	8.2
170.04665	11.8
184.06996	14.3
191.48091	6.0
212.04465	6.2
246.01584	14.4
247.02422	11.3
255.02921	10.4
256.03485	22.0
257.04132	11.3
261.21954	7.4
304.04153	6.7
321.04202	15.4
335.90182	7.7
408.08084	50.9
408.19577	33.8
409.07880	15.2
410.92996	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	408.9874
Annotation	Unknow
Peak:m/z	Relative Intensity
65.35603	0.5
69.12242	3.6
71.01360	0.6
80.34911	0.7
90.28658	0.5
96.96020	1.4
100.41145	0.5
104.81932	0.5
150.77167	0.5
179.39146	0.5
209.08208	0.7
242.99379	1.7
258.01868	0.5
270.98856	39.9
271.99127	2.4
285.00397	1.2
286.01254	0.9
298.98346	55.3
299.98663	3.5
312.99731	2.5
314.00708	73.7
315.01025	6.1
329.03046	100.0
330.03357	9.0
408.98709	4.5
409.19293	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.9874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.6
56.01993	0.6
59.01381	5.3
69.24409	1.2
69.24833	2.8
71.01389	10.0
73.02937	4.2
78.36949	0.6
82.68414	0.6
83.01385	1.4
85.02950	4.1
89.02442	1.8
96.96005	6.2
99.00883	1.9
101.02448	9.1
113.02465	4.0
119.72063	0.5
125.02399	0.8
131.03545	0.7
141.01302	0.6
149.02457	0.5
150.03300	0.7
159.02985	0.7
161.04578	3.7
164.52780	0.6
188.89374	0.6
200.51126	0.7
236.85352	0.6
242.99338	1.9
258.01602	0.6
270.98840	38.5
271.99130	2.1
277.16574	13.0
278.16855	0.8
283.99640	2.4
285.00436	4.1
286.01074	2.3
289.07196	1.0
298.98346	61.6
299.98672	3.5
312.99933	6.1
314.00684	71.7
315.01038	5.1
329.03033	100.0
330.03400	7.4
408.98825	4.4
409.06030	1.6
409.20789	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	409.0237
Annotation	Eupalitin 3-O-sulfate
Peak:m/z	Relative Intensity
65.23109	0.7
66.13454	0.7
69.72361	1.2
69.72758	2.4
78.95911	1.2
79.95723	0.8
93.03460	13.0
96.96010	6.4
121.02962	100.0
122.03339	3.3
139.04036	5.3
149.02443	8.4
194.05432	0.6
226.02542	0.9
227.03528	4.1
241.05110	1.8
242.05806	1.1
243.02921	2.0
255.02971	3.4
257.04626	1.4
258.05255	1.6
269.04541	2.2
270.05359	6.3
271.02493	23.2
272.02893	1.9
273.07684	4.7
286.04810	6.9
298.98807	0.6
299.01984	10.6
300.02316	1.4
301.07120	4.2
314.00818	0.8
314.04285	10.4
315.04581	1.5
329.06659	99.1
330.03265	1.2
330.06931	9.0
384.98126	0.7
409.02332	34.1
409.18964	4.5
410.02808	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	409.0236
Annotation	Ombuin 3-O-sulfate
Peak:m/z	Relative Intensity
51.00378	0.8
59.01374	1.2
71.29747	1.1
79.95746	1.0
89.02436	0.8
95.87632	0.8
109.02926	1.0
119.54440	0.8
146.51927	0.8
151.00388	3.1
199.04019	3.6
211.76166	0.8
227.03471	3.2
242.02260	1.9
243.02986	8.2
255.02982	2.6
257.04541	2.2
269.04456	1.5
271.02493	100.0
272.02802	7.5
285.04037	4.2
286.04852	6.0
299.02048	6.8
314.04340	70.3
315.04745	5.9
324.84836	0.9
329.06665	93.1
330.06989	9.5
409.02359	39.0
409.07593	1.7
410.02557	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	409.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.0
59.01383	6.3
61.98812	0.6
63.43488	0.6
64.95199	0.5
65.03941	0.7
69.03445	1.0
71.01388	9.3
72.07413	0.5
72.99289	0.8
73.02952	4.9
75.64900	0.6
81.03450	2.6
83.01395	4.7
85.02962	5.9
87.00861	1.4
89.02457	2.2
93.03458	7.4
95.01402	1.6
95.05042	2.5
97.02951	7.7
98.20149	0.5
99.00901	2.6
101.02445	8.2
108.02176	1.1
109.02962	22.6
111.00860	0.8
111.04532	1.4
113.02428	3.5
121.02978	5.1
122.03808	0.9
123.04536	15.0
125.02460	16.9
129.01930	0.7
135.04535	1.3
137.02463	15.3
138.03133	0.7
139.04041	4.1
145.02965	1.4
146.03745	2.1
147.04527	1.1
149.02473	4.8
150.03207	1.5
151.04025	9.5
159.03076	1.2
159.04500	2.3
160.05162	1.0
161.02451	1.4
161.04552	3.7
161.06090	5.4
162.03159	1.7
163.04027	1.2
164.01157	2.9
165.01941	17.5
165.05563	1.4
167.03482	1.7
173.06128	1.3
175.03995	2.2
175.07526	1.5
177.05531	1.1
179.03491	5.0
185.06062	1.3
187.04013	4.1
188.04761	4.1
191.07010	0.7
195.06691	1.1
197.44072	0.6
199.07626	0.8
202.06403	1.4
203.07155	11.4
203.09053	0.8
204.07513	0.6
205.05074	8.2
212.04900	0.7
217.74487	0.6
221.08110	3.0
222.80481	0.7
227.07138	1.7
229.05075	0.9
241.05069	1.7
243.06673	2.6
245.08188	19.8
246.08525	1.3
247.06114	1.2
259.06122	2.6
270.98825	6.1
271.06223	2.3
271.99020	0.7
277.16571	12.4
278.16772	0.9
285.00311	1.0
286.01303	0.9
289.07199	100.0
290.07571	7.5
298.98352	9.0
299.98688	1.4
305.73273	0.6
313.00049	1.5
314.00729	11.5
315.01108	1.3
315.08795	1.8
329.03043	13.8
330.03250	1.8
409.09357	1.4
409.15314	1.0
409.20886	6.6
410.21317	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58319	0.7
57.03447	1.1
58.97127	0.7
58.99068	0.6
59.01378	2.0
70.40420	1.5
81.71431	0.6
91.48588	0.7
93.03459	2.5
96.96040	1.7
109.02959	1.2
121.02933	3.2
122.03754	8.8
123.04525	0.9
124.01652	0.7
125.02444	2.1
133.03000	0.9
136.01657	1.6
136.99185	0.8
137.02435	1.9
149.02448	14.8
150.03236	70.5
151.03616	2.3
164.04776	2.9
165.05579	100.0
166.05907	4.8
180.04321	3.3
195.06631	34.9
196.07018	1.9
203.03705	1.0
207.50668	0.7
233.35287	0.7
235.04865	0.9
247.02586	0.7
257.03592	0.9
286.08536	1.5
289.07199	0.9
301.10880	1.9
361.13000	4.0
409.08130	3.4
409.14774	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.2
57.03447	7.0
58.00595	2.8
59.01382	100.0
60.01735	1.5
61.98814	1.4
63.96225	1.5
69.03480	2.3
71.01388	89.3
71.28210	2.2
71.76580	1.2
72.01739	1.4
72.75889	1.3
72.99309	8.3
73.02955	21.5
74.99085	3.5
75.00886	1.7
83.01389	11.3
85.02958	28.9
87.00886	9.3
87.04512	1.5
89.02451	73.1
93.03519	1.6
95.01379	6.7
96.96004	2.3
97.02963	1.6
97.06595	4.4
99.00912	6.7
99.04536	1.9
101.02448	68.6
102.02760	1.5
108.02243	1.5
109.02969	3.6
111.00892	4.7
113.02459	35.5
114.10908	1.5
117.05587	2.7
119.03503	32.6
120.99671	9.0
123.04510	2.4
125.02435	10.8
131.03511	6.8
135.04543	13.3
135.98451	2.0
136.99187	2.7
137.02463	4.6
139.04005	1.4
143.03551	8.9
147.04549	1.3
149.02419	2.2
149.04520	3.5
150.03142	1.4
151.04005	2.3
153.05563	2.5
159.03055	3.5
159.04655	1.3
159.06596	1.8
161.02484	1.5
161.04561	27.9
165.01889	1.6
165.05621	1.8
166.02693	1.3
175.04012	1.3
176.04674	2.0
178.02780	3.2
179.03282	2.0
179.05623	42.5
179.07193	2.4
187.04076	1.8
190.06134	1.4
193.05040	4.8
195.06667	3.0
203.03502	3.2
221.06685	12.8
247.02412	4.6
247.04947	1.4
247.11906	6.7
256.03302	1.7
257.03613	1.9
289.06995	2.1
310.57129	1.3
321.04495	7.1
349.18747	3.3
361.12903	1.4
363.16742	2.9
409.08405	10.7
409.12790	6.0
409.17294	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	409.172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17116	1.8
55.01876	8.8
57.03443	5.8
58.00581	2.2
59.01384	100.0
66.72421	2.2
71.01392	75.2
72.99317	5.5
73.02950	24.5
83.01408	13.7
83.41042	2.5
85.02958	32.2
87.00878	9.6
88.42506	2.1
89.02454	58.4
95.01389	7.7
97.02937	3.6
99.00896	8.4
101.02453	86.1
111.00906	4.9
113.02467	36.6
119.01732	5.2
119.03516	24.9
120.99604	3.5
125.02449	2.8
143.03491	7.2
159.02979	3.2
161.04570	28.6
179.05638	24.3
182.11031	2.0
191.78107	2.3
229.31854	2.2
247.11812	8.9
317.81305	2.7
331.91562	2.3
349.18622	5.4
358.03271	1.9
358.29788	2.3
409.17612	17.2
409.32837	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	409.1874
Annotation	1-Acetyltagitinin A
Peak:m/z	Relative Intensity
52.46865	1.0
55.01875	1.1
61.98831	0.9
69.07089	3.9
69.07516	4.1
71.04990	1.1
72.99313	4.9
73.02934	4.9
77.78609	0.9
78.95882	1.9
83.05006	1.3
85.02948	2.6
85.06593	12.7
87.04533	5.7
87.04998	1.2
95.05036	1.9
97.06591	3.5
99.00844	1.3
109.02946	1.9
109.06604	2.2
111.03760	1.3
111.04531	25.8
113.02439	1.0
113.06117	5.7
123.08172	2.4
125.02470	2.2
125.06078	2.4
125.09694	2.6
137.09726	3.7
139.03993	4.1
141.05582	7.5
141.09219	0.9
151.00494	1.1
151.11238	1.5
152.99597	1.7
153.09169	1.5
167.03535	2.0
167.07101	1.8
168.04318	1.8
169.05103	9.8
179.07144	7.4
179.14410	5.8
181.04970	1.3
181.08643	2.0
189.12785	1.1
193.08681	1.3
195.06628	6.1
205.12288	1.5
207.13969	1.6
209.08200	8.8
211.06172	6.4
223.13374	2.0
237.07793	2.0
241.14561	4.3
269.13962	3.1
365.19547	1.4
391.17422	1.8
393.27896	1.2
409.18661	100.0
409.31003	23.3
410.18973	11.1
410.31433	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	409.1869
Annotation	(+)-Picriside B
Peak:m/z	Relative Intensity
57.03444	2.9
57.61616	1.0
58.08981	1.1
58.68550	1.0
69.03468	1.1
69.23925	4.2
69.24332	3.1
69.57950	1.1
71.05014	1.6
76.51328	1.4
77.79060	1.1
83.05033	1.2
85.02995	1.6
85.06586	4.3
87.00938	1.3
87.04514	7.1
95.05043	2.9
98.21865	2.4
99.04504	2.4
101.06062	1.3
101.83057	1.1
109.02980	1.2
111.04530	28.3
113.06109	1.5
123.08242	1.2
124.01680	2.6
137.06105	1.5
137.09727	1.8
139.04051	2.7
139.07669	2.2
141.05574	3.7
147.08241	1.9
165.05583	10.0
165.09172	2.3
167.03464	1.9
169.05042	2.0
169.82156	1.1
179.07146	9.9
181.05075	15.0
186.26282	1.1
193.05098	2.8
195.06645	1.6
208.07402	14.4
209.07910	1.4
210.09090	1.1
212.06882	6.6
236.06871	4.0
241.14432	3.3
253.14467	1.8
275.30667	1.2
337.20270	5.0
347.18655	3.3
363.18213	3.2
365.19647	35.1
366.19980	3.7
391.17642	100.0
392.17963	13.8
409.18500	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	409.1869
Annotation	(+)-Picriside B
Peak:m/z	Relative Intensity
52.16856	2.1
55.15139	2.0
56.09513	2.2
57.03451	2.2
69.66930	4.2
69.67337	7.2
73.02935	3.5
85.02929	2.4
85.06599	6.8
87.04523	46.9
95.05034	2.5
101.23603	2.1
111.04526	38.6
124.01686	3.0
125.02490	2.6
134.06171	2.3
139.04001	7.6
139.07733	3.8
141.05602	5.7
157.87013	2.1
165.05594	9.2
167.03473	4.4
169.05110	4.1
179.07117	6.1
181.05080	14.0
195.06664	2.8
199.16750	2.1
204.60709	2.0
208.07381	7.8
212.06888	5.4
218.32776	2.2
228.12045	2.4
236.06825	3.0
240.72729	2.1
241.14409	6.0
263.09268	2.6
321.13385	8.9
337.20175	6.7
351.08716	6.6
363.18314	4.0
365.19669	41.1
366.20132	5.8
391.17664	100.0
391.65634	2.0
392.18094	14.4
409.18375	20.9
409.30875	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	409.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90797	0.6
69.32913	3.5
79.95753	1.7
96.96019	100.0
98.22490	0.9
212.07176	1.2
214.94888	0.6
249.22284	7.1
267.23309	0.7
293.21277	3.8
311.22342	4.8
329.23349	17.3
330.23712	1.6
368.12631	0.7
409.19043	67.6
410.19354	6.5
414.61694	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40561	0.3
59.01384	9.0
60.24650	0.3
78.95910	0.5
79.95749	2.1
96.96020	100.0
97.95974	0.6
101.80346	0.3
108.30894	0.3
109.02993	0.4
129.09225	1.1
139.11282	1.1
152.99651	0.4
159.04477	0.8
167.03679	0.3
167.07074	0.3
173.06030	0.4
201.05606	0.5
211.04086	0.3
241.04974	1.4
243.06604	6.0
244.06956	0.4
270.98877	0.5
298.98346	1.1
299.99097	0.8
300.99887	2.6
304.64844	0.3
308.98395	0.3
311.09085	0.3
311.22137	0.5
314.00735	0.6
329.02979	1.1
329.23364	5.2
330.23828	0.5
347.18845	1.8
349.16879	1.1
371.46643	0.4
409.19000	51.7
410.19299	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	409.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
69.09712	0.7
69.10120	2.4
74.83960	0.4
78.95901	1.6
79.95745	17.0
80.96514	0.6
93.03469	0.5
96.96018	100.0
121.02969	3.6
129.09241	0.4
159.10359	0.4
169.12338	2.0
181.12364	1.3
199.13390	3.1
237.42934	0.4
243.06651	0.4
271.02615	1.0
286.04828	0.4
293.21268	0.7
299.02182	0.5
311.22351	1.1
314.04410	0.6
315.72577	0.3
329.02948	0.6
329.06659	3.6
329.23343	13.5
330.06992	0.5
330.23740	1.4
409.02283	1.3
409.19031	72.5
410.19354	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	409.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
67.79347	0.2
69.42830	1.1
77.48869	0.2
79.95750	2.3
81.03441	0.4
90.04173	0.2
96.96021	100.0
97.95931	0.4
98.22549	0.4
109.02968	0.3
125.02439	1.1
125.06065	0.2
157.08684	0.6
165.09219	2.3
181.12335	0.6
199.13435	0.8
209.08214	9.6
210.08528	1.0
211.08859	0.3
220.03525	0.2
270.98810	2.3
277.09445	0.2
277.16461	0.2
286.01016	0.3
298.98355	3.2
299.98911	0.6
312.99734	0.3
314.00748	3.9
315.01022	0.3
329.03046	5.0
329.23392	1.3
330.03308	0.6
371.13382	1.0
409.19022	37.5
410.19403	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	409.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
67.79347	0.2
69.42830	1.1
77.48869	0.2
79.95750	2.3
81.03441	0.4
90.04173	0.2
96.96021	100.0
97.95931	0.4
98.22549	0.4
109.02968	0.3
125.02439	1.1
125.06065	0.2
157.08684	0.6
165.09219	2.3
181.12335	0.6
199.13435	0.8
209.08214	9.6
210.08528	1.0
211.08859	0.3
220.03525	0.2
270.98810	2.3
277.09445	0.2
277.16461	0.2
286.01016	0.3
298.98355	3.2
299.98911	0.6
312.99734	0.3
314.00748	3.9
315.01022	0.3
329.03046	5.0
329.23392	1.3
330.03308	0.6
371.13382	1.0
409.19022	37.5
410.19403	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	409.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	5.1
57.03441	3.0
59.01382	100.0
62.18278	2.1
69.15488	14.3
69.15894	3.0
69.95485	2.0
71.01386	29.1
72.99337	2.9
73.02943	11.4
74.99094	5.8
83.01407	6.8
85.02975	14.6
87.00870	7.5
89.02452	23.1
89.44212	2.1
95.01406	5.8
97.02975	2.6
97.06588	5.6
98.21812	5.7
101.02441	26.8
103.04009	2.2
109.02950	7.1
109.06617	2.8
111.00881	13.9
111.04522	4.9
113.02460	18.9
113.06107	2.7
117.06995	2.3
119.01685	4.2
119.03520	7.4
120.99705	4.4
121.06599	2.1
121.80739	2.4
123.04536	6.4
125.02457	17.3
125.80972	2.5
127.04033	3.1
127.07721	2.5
133.02937	2.6
134.13878	2.2
135.60788	2.5
137.02451	5.5
138.03278	2.4
143.03572	4.3
161.02454	5.5
161.04552	11.9
165.01865	2.7
165.05548	19.6
179.05687	4.3
195.06493	2.5
225.00800	2.2
236.29297	2.7
247.06131	2.5
247.11861	4.6
321.04434	7.0
321.17334	5.7
349.18744	28.5
365.12289	5.7
409.20129	29.4
410.20459	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	409.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	4.4
59.01379	100.0
61.09328	1.5
69.60126	6.0
71.01025	2.9
71.01385	30.4
72.01717	2.4
72.99300	2.4
73.02950	8.2
83.01388	2.8
85.02952	10.5
87.00874	6.2
89.02453	30.3
93.03468	2.8
95.01408	3.7
95.05029	2.6
96.21513	1.8
96.59914	1.6
97.06597	3.9
99.00883	3.8
101.02448	25.4
101.06087	4.1
103.03998	4.2
108.02206	2.7
109.02962	2.1
111.00874	12.6
113.02444	16.1
119.03501	12.2
125.02445	6.4
127.07678	2.6
127.71199	1.6
134.71960	1.7
137.02420	8.2
143.03529	2.7
143.50676	1.6
150.67340	2.0
153.01970	2.5
159.06595	2.0
161.04575	11.9
165.01944	6.0
179.03487	2.8
179.05646	7.8
180.04253	4.9
187.13380	3.9
195.06573	4.1
200.76230	1.8
203.07150	3.8
215.32086	1.5
225.07596	2.7
228.08026	2.1
247.06168	1.7
305.15982	5.2
321.04114	2.0
349.18765	16.0
361.12851	3.5
409.17538	13.9
409.24490	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	409.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18803	0.9
55.01887	7.2
57.03460	5.3
58.00601	1.7
59.01096	2.0
59.01383	39.3
61.41661	0.9
62.30137	0.8
69.03444	1.5
71.01386	71.6
71.29012	1.0
71.29362	1.0
72.01730	0.9
72.99308	2.9
73.02952	32.3
75.00871	1.6
77.88576	1.3
83.01393	14.0
85.02425	1.8
85.02954	33.6
86.00095	2.0
87.00893	4.9
89.02445	15.6
95.01376	6.3
97.02972	2.9
99.00887	13.5
101.02450	60.3
102.02785	1.2
109.02955	1.6
111.00873	1.8
113.02460	27.2
113.06051	1.0
115.03981	1.5
119.03533	1.9
122.69756	0.9
123.04549	2.7
125.02461	6.8
129.01964	1.6
131.03522	2.8
136.84274	1.0
137.02477	2.2
143.03508	3.9
149.02484	1.0
149.04553	1.8
159.02957	5.5
161.04573	30.6
165.01973	2.0
169.51292	0.9
233.06647	2.4
270.98764	2.1
272.37665	1.0
277.16574	100.0
278.16968	6.4
289.07214	10.1
290.07559	1.3
298.98267	3.8
313.39484	1.1
314.00690	4.1
329.03119	4.6
409.20834	66.9
410.21191	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	409.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01656	1.0
55.01880	6.2
57.03447	4.4
58.00599	1.4
59.01093	2.1
59.01384	36.2
62.60241	0.8
67.59325	0.8
69.03456	1.3
69.24960	6.0
71.01390	53.1
72.01711	0.8
72.99310	2.6
73.02953	30.0
75.00882	2.1
83.01390	12.0
85.02958	30.3
86.00130	1.9
87.00881	4.5
89.02451	12.3
95.01410	3.6
97.02959	2.7
98.22492	1.9
99.00890	12.9
101.02452	60.9
102.02789	1.7
111.00894	2.4
113.02461	23.7
115.04009	1.5
119.03487	0.9
125.02466	3.9
129.01990	1.2
131.03548	2.9
143.03522	3.2
149.04593	1.6
159.03004	4.2
161.04581	17.7
162.17183	0.9
196.64824	0.9
209.52026	0.9
233.06665	4.2
277.16586	100.0
278.16885	8.7
321.15930	1.3
369.09659	1.0
409.20853	71.9
410.21222	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	409.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93697	0.4
55.01652	0.5
55.01881	6.0
57.03454	4.0
58.00580	1.5
59.01381	38.1
59.49057	0.4
63.52407	0.4
69.03445	1.6
69.22230	2.9
71.01385	49.9
72.01709	1.1
72.99298	1.9
73.02950	23.1
73.18745	0.4
75.00863	0.9
81.03439	0.8
83.01392	15.9
85.02956	27.2
86.00082	1.5
86.03305	0.8
87.00871	2.3
89.02452	9.3
95.01396	3.6
97.02948	1.9
99.00884	8.5
99.08192	0.4
101.02450	52.9
101.09718	0.5
102.02744	0.6
103.04018	2.7
109.02952	0.5
111.00861	1.1
111.04549	0.5
113.02457	22.4
114.02794	0.7
115.04005	0.6
119.03498	2.7
123.04493	0.5
125.02467	2.9
129.01912	1.4
131.03514	1.0
137.02405	0.6
141.01901	0.5
143.03520	2.6
145.05045	0.7
159.03029	4.8
161.04567	23.6
162.04947	0.8
163.04088	0.4
163.06126	1.5
171.10168	0.5
174.20003	0.4
179.05725	0.5
181.58163	0.5
199.03998	0.8
205.03458	0.7
205.06882	0.5
209.08173	0.5
223.06079	0.6
227.03452	0.6
229.07111	1.1
247.08286	0.9
263.15009	100.0
264.15344	6.4
307.13867	0.9
409.20807	26.8
410.21423	2.4
422.64218	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01839	7.9
57.03405	4.7
58.00565	1.2
59.01384	36.4
59.01667	1.9
68.61348	0.6
68.99796	1.1
69.03423	1.6
71.01389	52.7
71.01754	1.7
71.28536	0.8
71.65510	0.7
72.01685	1.2
72.99269	2.5
73.02955	30.6
75.00828	1.7
79.01891	0.5
81.03453	0.7
83.01395	13.7
85.02961	30.5
86.00060	2.0
86.03249	0.7
87.00887	3.2
89.01979	0.7
89.02450	10.4
91.57684	0.6
93.47185	0.6
95.01388	3.3
97.02957	3.6
99.00298	0.8
99.00887	11.8
101.02451	61.3
102.02744	1.4
111.00876	2.0
113.02465	20.3
113.09727	0.8
115.03986	1.8
121.28176	0.6
122.04691	0.6
125.02473	2.8
129.01889	1.9
131.03477	2.7
141.01909	0.8
143.03470	2.6
149.04518	1.6
151.42993	0.7
152.89606	0.6
159.03041	3.3
161.04578	20.3
162.04890	0.8
163.18124	0.5
179.07146	1.1
185.11743	0.8
209.08192	0.8
215.05385	0.7
233.06612	1.6
236.72270	0.6
277.16580	100.0
278.16959	6.7
293.08572	0.9
321.15863	0.7
409.20874	59.8
410.21268	7.1
432.69690	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02978	0.6
55.01877	6.9
57.03450	4.9
58.00589	1.6
59.01383	40.2
60.01691	0.8
68.99803	0.7
69.03439	1.6
70.33800	0.7
70.34911	0.7
71.01389	65.1
71.61211	0.7
72.99305	4.2
73.02955	34.3
75.00858	1.4
81.03458	0.9
83.01387	14.4
83.05023	0.7
85.02957	34.8
85.46365	0.6
86.00108	2.0
87.00900	4.8
89.02455	17.0
95.01419	5.5
97.02918	3.4
99.00887	15.0
101.02454	62.3
109.02962	1.3
111.00883	1.9
113.02460	26.5
115.03976	1.8
115.11307	1.1
119.03500	2.3
123.04557	1.1
125.02473	4.9
129.01958	1.4
131.03522	3.6
137.02458	1.2
139.04007	0.9
143.03491	4.5
149.04555	2.4
159.03014	5.3
161.04572	26.9
185.17113	0.6
185.52075	0.7
191.05753	0.7
203.07196	1.0
205.03529	0.8
233.06683	3.0
270.98849	1.9
277.16580	100.0
278.16937	7.5
289.07190	3.7
293.08557	0.8
298.98294	2.8
314.00732	2.5
329.03098	3.9
409.20831	68.0
410.21204	8.1
413.98032	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68592	0.9
55.01886	6.5
56.30285	0.8
57.03454	4.5
58.00579	1.6
59.01382	35.8
69.03429	1.2
71.01391	58.4
71.29745	1.3
72.99299	1.9
73.02953	29.1
75.00864	1.7
83.01387	12.3
85.02956	32.3
86.00090	1.3
86.03256	1.0
87.00886	3.0
89.02459	14.4
90.85117	0.8
95.01390	4.4
95.15768	0.8
97.02946	4.1
99.00893	11.9
101.02451	56.9
109.02955	1.4
111.00895	2.2
111.04533	1.0
113.02457	26.1
115.04053	1.6
119.03511	1.5
123.04545	1.6
125.02458	4.8
129.01945	1.5
130.20682	0.8
131.03511	4.7
143.03488	4.6
149.04614	1.1
159.03044	5.6
161.02504	1.6
161.04584	25.7
165.01920	1.2
198.02998	1.1
216.95692	0.8
233.06595	2.3
245.08192	1.0
270.98749	1.4
277.16577	100.0
278.16891	5.9
289.07275	5.2
298.98404	3.3
314.00800	3.9
329.03152	4.7
409.20834	65.3
410.21204	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	409.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	5.4
61.32410	2.2
69.03442	3.4
69.61049	2.1
71.01383	2.6
73.51096	2.5
78.95913	3.4
79.95738	4.6
80.09073	1.9
80.91698	3.5
83.04983	2.8
85.02948	5.4
88.95359	2.2
96.96023	100.0
97.02973	2.9
97.06565	5.2
98.22536	4.6
98.95630	4.2
99.92596	32.3
115.92089	17.4
116.92899	10.9
121.02985	4.5
135.04552	3.8
152.99564	2.7
165.12863	19.9
171.10286	7.3
181.71060	2.6
183.13768	2.7
193.08430	12.1
205.12125	2.8
207.10071	13.9
211.13397	10.3
221.11638	10.4
229.14491	7.3
231.10017	6.7
233.11620	73.2
234.11971	6.0
248.10443	3.6
249.11220	4.9
251.11478	33.8
252.11436	3.2
261.11194	18.8
279.10910	3.3
281.08191	2.5
294.05640	14.6
313.17987	4.5
327.21777	33.8
328.22183	3.4
329.06506	2.9
329.23260	3.4
331.18967	12.1
349.19949	69.6
350.20026	7.4
374.11942	6.7
409.18854	55.4
410.13986	10.7
410.18729	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	409.2362
Annotation	1-Palmitoyl Lysophosphatidic Acid
Peak:m/z	Relative Intensity
69.08994	0.6
69.09398	1.9
78.95910	76.5
90.30623	0.4
96.96967	5.7
98.22534	0.8
150.98032	1.7
152.99599	100.0
153.99950	1.3
171.00659	2.5
255.23360	2.0
335.79797	0.3
409.23611	11.4
410.24017	1.0
433.06781	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2386
Annotation	Dehydrorobustol B
Peak:m/z	Relative Intensity
55.01871	0.4
71.28540	0.4
73.02934	0.2
75.02630	0.2
78.95939	0.3
79.01880	0.6
80.13419	0.2
85.06602	1.2
87.04526	0.4
91.03695	0.2
107.05005	0.3
111.04517	2.4
122.03780	0.3
123.04488	0.4
123.08174	3.2
138.03252	0.3
151.03998	0.5
163.04086	0.3
165.05533	0.4
165.09200	0.7
166.02754	0.4
169.16020	0.2
191.03482	0.5
191.07085	0.3
207.06616	0.8
208.07388	1.1
209.08116	0.6
212.40004	0.2
219.06631	1.1
221.08141	1.9
222.08891	0.5
222.25514	0.2
224.16559	6.5
233.08183	1.0
234.33261	0.3
241.16026	1.8
242.16391	0.4
247.09639	0.3
253.19656	0.4
265.15860	0.3
267.13776	0.3
277.19760	0.3
281.28500	3.5
295.20700	0.5
297.18591	0.9
299.12860	0.3
307.16956	0.3
309.22189	0.4
311.12784	0.3
313.14825	0.3
321.18658	0.3
325.14484	0.4
339.16129	0.3
339.19571	1.3
351.16034	1.4
363.23349	3.1
364.23529	0.6
365.17740	0.5
365.24823	2.5
379.11783	0.6
379.18954	0.5
391.22501	0.6
407.22000	0.5
409.23856	100.0
410.24188	13.7
410.32346	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36304	24.2
55.32658	24.1
59.01377	28.0
62.63860	22.8
71.01398	33.1
71.28803	36.0
71.29164	31.4
74.56034	26.1
77.50631	22.3
80.15549	24.0
88.30146	24.9
89.86069	24.6
95.39682	23.3
100.25607	24.6
101.06118	31.8
123.13419	30.1
128.03514	29.3
130.58942	25.1
148.05272	100.0
195.10144	25.0
205.08769	51.0
211.49522	27.3
217.20238	24.1
255.03152	26.6
278.15210	27.2
309.35880	24.3
410.19266	57.3
411.20386	49.8
411.25290	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	410.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26752	4.8
59.01384	100.0
60.01694	4.7
61.67475	4.6
61.98829	35.7
67.07970	4.3
69.58723	10.4
69.59097	12.0
69.70729	5.2
71.01385	50.2
72.99330	5.8
73.02947	18.4
83.01392	5.8
85.02958	22.5
87.04529	8.4
89.02459	36.1
89.50411	4.3
95.01379	5.5
95.05029	4.3
98.22576	5.9
99.00901	10.1
101.02462	35.0
104.00872	4.5
113.02440	15.2
117.05576	11.0
119.03524	11.6
120.99660	13.9
125.02479	8.2
137.02472	5.9
149.02394	9.9
149.04619	6.4
150.03201	9.0
151.03723	6.0
161.04572	19.7
164.67139	5.3
165.05588	25.1
166.05916	19.1
179.05646	7.3
221.10246	31.9
272.81534	5.6
274.22241	4.8
279.14587	6.5
300.99911	6.6
362.13284	7.5
367.16168	42.1
410.17072	6.5
411.13519	7.4
411.18289	13.5
411.22922	7.1
416.25064	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	410.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69674	2.9
57.03444	4.1
78.55004	2.6
78.95860	3.1
97.29865	3.2
98.62926	3.0
169.15985	6.3
169.73553	3.1
180.54489	3.0
224.16577	100.0
238.74617	3.4
250.23691	3.2
281.28516	38.1
282.28763	4.6
289.19550	3.1
298.88922	3.3
300.97867	3.0
325.18427	5.0
334.31299	8.4
410.32724	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	411.0029
Annotation	Patuletin 7-O-sulfate
Peak:m/z	Relative Intensity
59.01353	0.8
59.19275	0.7
61.39975	0.6
61.87143	0.6
65.00330	7.1
69.18017	4.9
69.18399	1.7
76.00037	0.7
79.95724	1.2
81.03448	1.2
89.00357	1.1
91.01903	1.6
93.03469	1.4
95.01405	0.8
96.23492	0.7
96.96008	1.4
97.02963	6.1
98.21767	1.4
108.02175	1.6
109.02961	41.0
110.03298	1.2
120.99639	1.1
121.02950	4.3
122.89833	0.7
123.00873	1.2
124.01660	3.1
125.02433	2.0
137.02460	25.3
138.02821	1.1
139.04031	6.5
149.99580	2.5
151.00319	2.9
152.01147	1.9
153.01961	10.9
155.03494	1.7
163.00365	1.6
164.01117	1.8
165.01944	53.6
166.02301	1.9
167.03493	4.0
178.99904	2.0
179.31435	0.7
183.02917	3.8
193.01431	30.9
194.01688	1.2
195.02974	1.5
221.00882	2.2
242.02246	1.1
243.03046	2.2
259.02560	1.2
259.06302	1.2
271.02408	4.4
272.03192	1.9
282.01843	0.8
285.04050	1.1
287.05350	0.8
288.02921	1.6
303.05017	1.2
316.02203	2.7
331.04620	100.0
332.04971	9.8
411.00284	32.9
412.00540	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	411.0756
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80618	0.2
59.01381	0.5
59.61148	0.2
79.95742	13.3
80.96513	0.2
92.54977	0.2
96.96017	100.0
97.95949	0.2
99.56928	0.2
109.02926	0.5
110.97581	0.7
114.35896	0.3
117.56088	0.3
137.02452	0.5
141.95796	0.4
151.03999	1.0
165.01945	0.3
193.01428	0.3
211.03929	0.3
227.03569	0.3
228.04211	0.3
230.99664	0.4
239.03477	0.4
253.05046	0.4
256.03799	0.8
271.06091	3.7
272.06525	0.4
286.08533	2.1
298.98196	0.3
301.07272	0.3
314.00742	0.4
329.03098	0.4
331.04276	0.6
396.05240	0.9
411.07587	36.3
412.07837	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	411.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95971	12.0
55.08698	10.1
56.76110	12.4
59.01382	100.0
61.98826	36.7
70.63013	30.7
71.01384	79.3
73.02964	20.2
73.62717	12.1
75.73846	10.9
77.46108	10.5
85.02941	23.0
87.00887	15.6
88.08208	10.5
89.02456	81.9
90.65124	11.1
92.07710	11.8
98.02485	15.7
99.00890	30.5
101.02457	50.3
111.73376	10.4
113.02483	40.7
117.00443	18.3
119.03549	23.3
122.03745	18.8
124.80962	10.9
126.98884	20.6
131.13632	9.7
145.02943	22.8
146.91873	11.9
149.66463	12.2
158.45026	12.6
161.02481	27.2
161.04637	16.9
162.03233	34.5
168.99989	19.8
169.01416	13.2
177.05643	16.5
179.05629	24.7
184.68016	11.6
207.33147	10.2
214.48753	13.0
222.03835	42.7
248.01698	14.4
249.02495	19.3
351.05814	49.9
352.05832	15.2
357.12033	24.2
363.01404	13.5
394.09589	52.4
395.40942	11.4
411.10428	59.2
428.60846	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	411.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63287	12.3
53.43588	11.9
59.01379	88.5
61.98832	20.6
69.11476	84.9
71.01390	68.2
85.02923	14.2
89.02452	96.4
99.00921	13.3
101.02451	34.3
113.02464	35.0
119.03496	23.0
122.03736	33.9
128.98759	13.6
145.02876	14.0
161.02554	24.5
161.04593	18.3
177.05577	22.5
179.05612	53.4
181.03578	15.2
195.06699	22.3
219.09955	13.2
222.03807	53.8
233.02652	14.1
248.01884	17.4
249.02597	19.3
325.31857	12.4
345.67670	16.6
351.05701	100.0
357.11893	35.7
386.81421	14.8
411.09149	50.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1121
Annotation	PYRAOXYSTROBIN
Peak:m/z	Relative Intensity
54.43765	0.5
59.01385	2.7
59.49439	0.4
66.09822	0.4
70.40018	1.0
71.01399	0.6
73.39301	0.4
78.95904	0.4
79.95753	2.2
86.52509	0.4
91.07742	0.4
93.03455	0.5
96.96017	100.0
98.95609	2.0
109.02985	0.4
121.02963	3.5
122.03297	0.8
125.02507	0.5
151.00401	0.4
151.03973	0.4
153.01941	0.8
268.52429	0.5
270.98853	1.9
271.02222	0.3
298.98340	3.2
299.01398	0.5
299.98679	0.5
303.05374	0.5
312.99850	0.7
314.00842	3.8
314.04193	0.9
315.00803	0.8
316.01569	0.7
329.03070	5.3
329.06781	1.9
330.03601	1.1
331.04007	2.3
331.07336	0.9
331.15607	0.7
331.24948	1.4
349.20453	0.8
351.18665	0.4
411.02612	1.3
411.11258	27.3
411.20276	11.8
412.11545	3.1
412.20779	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	20.8
59.01369	19.4
67.01875	8.6
70.07814	12.1
70.08205	12.5
71.01388	81.1
73.02933	17.5
75.02595	8.6
83.01379	16.0
83.09661	6.4
84.09332	5.3
85.02934	29.3
87.00919	7.8
89.02435	6.8
99.00903	39.6
101.02431	16.6
102.17791	6.7
103.12006	6.5
104.81100	6.8
111.00877	36.8
112.98771	14.9
129.01941	44.1
129.03619	6.2
130.08742	14.5
145.01404	8.5
168.99969	15.5
173.00888	9.4
202.11026	5.6
233.04808	9.9
237.09789	11.6
263.05832	13.9
352.09171	7.0
379.06790	14.7
394.09808	20.5
411.09521	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	411.1453
Annotation	1,2-Dihydro-1,8,10-trihydroxy-2-(2-hydroxypropan-2-yl)-9-(3-methylbut-2-enyl)furo[3,2-a]-xanthen-11-one
Peak:m/z	Relative Intensity
50.36745	0.3
52.66800	0.4
61.41759	0.4
68.09664	0.4
78.95906	0.4
106.05237	0.5
111.04530	1.2
130.74989	0.4
133.50069	0.4
143.10825	2.4
152.27321	0.4
152.99623	0.5
159.87231	0.4
169.05087	1.2
195.06831	0.5
241.05087	1.2
242.05954	1.6
253.05052	1.3
269.04559	1.7
270.05438	2.3
271.05917	0.5
279.02750	0.5
279.06720	0.5
279.10315	1.0
280.07217	0.6
283.09900	0.5
285.20691	0.9
293.08237	1.1
294.09097	1.1
296.10269	0.4
297.04092	4.2
297.11218	0.5
298.04660	1.2
299.05298	0.5
305.08066	0.8
307.06082	1.3
308.06879	0.7
311.09283	1.4
312.09949	1.4
321.07736	1.0
322.08566	0.6
323.09189	4.7
324.09647	0.8
340.09521	0.6
341.10272	4.5
342.10831	0.6
349.07291	0.9
349.14819	0.9
363.09131	0.5
365.28455	0.6
367.08209	3.6
367.15591	1.0
368.08835	0.7
375.12338	2.5
375.28946	0.4
393.13458	17.4
394.13547	1.9
411.14517	100.0
411.30597	2.4
412.14841	13.1
412.31360	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	8.5
55.60666	1.7
57.03453	5.6
58.00592	2.4
59.01384	61.9
61.98859	2.3
66.51466	1.8
69.89185	3.0
69.89529	7.1
71.01385	80.4
72.01706	2.3
72.99317	6.1
73.02956	49.2
74.99117	2.9
75.00894	3.1
75.43679	2.0
81.79178	2.1
83.01385	19.2
85.02956	42.7
87.00882	8.6
89.02447	26.8
95.01406	6.6
97.02972	5.6
99.00884	19.3
101.02453	77.9
101.03129	4.1
101.06100	7.7
109.73502	2.1
111.00928	4.4
113.02458	38.9
114.02866	2.7
115.04033	2.6
115.07681	13.4
119.03515	6.7
125.02446	9.8
131.03526	7.0
133.05099	3.7
143.03491	5.9
143.07137	2.8
145.05074	5.3
149.04576	3.7
159.03032	6.2
161.04546	33.4
169.01476	4.3
191.05745	3.4
205.03429	2.5
233.06648	4.2
279.14505	100.0
280.14975	7.9
293.08447	2.3
384.45200	1.9
386.33102	2.2
411.18839	94.1
412.19260	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	411.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	10.8
57.03437	6.0
58.00594	2.7
59.01383	66.9
66.14421	1.2
69.03442	1.9
71.01386	100.0
71.29005	1.5
72.01734	1.3
72.99310	3.0
73.02950	40.1
79.62918	1.2
81.03446	2.3
83.01398	18.9
85.02956	49.2
86.00087	1.4
87.00877	5.4
89.02444	19.3
93.03478	4.8
95.01392	7.3
97.02947	4.1
99.00893	18.2
101.02453	89.7
102.02824	1.6
104.79474	1.3
111.00887	2.8
113.02454	36.0
115.04012	2.7
119.03490	3.0
120.99716	1.5
125.02439	8.7
129.01958	1.7
131.03500	4.0
137.02452	8.0
143.03471	3.2
149.04515	2.7
159.02972	6.4
161.03253	2.7
161.04573	44.4
167.03490	1.5
205.03473	1.5
231.06403	1.4
233.06644	3.1
249.13405	18.1
279.14511	93.8
280.14792	7.2
351.20270	4.9
411.13748	2.7
411.18756	70.0
412.15509	2.2
412.19583	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	411.2033
Annotation	(+)-Ixerin H
Peak:m/z	Relative Intensity
57.03438	1.5
62.89426	0.7
73.02962	4.3
75.00884	5.4
83.05026	0.8
85.02941	5.6
85.06592	5.1
87.04531	9.7
88.83089	0.8
95.05047	3.9
97.06593	2.3
98.21780	1.7
98.82745	0.7
99.00895	5.9
99.04513	1.8
109.02972	0.8
109.06596	1.0
111.04533	18.5
113.06097	2.6
115.07627	1.5
125.06083	3.3
141.05582	7.3
143.07159	10.4
151.11263	2.0
153.01958	1.6
153.09174	1.4
167.19327	0.7
169.05070	38.8
170.05429	2.2
179.07204	1.3
179.14442	4.2
182.02296	2.7
184.97594	0.8
195.06677	3.9
195.13910	1.3
197.15369	0.9
199.89940	0.8
219.13870	2.6
223.06186	0.8
223.13513	1.1
224.06914	13.0
225.07582	1.5
241.14494	4.6
255.16103	1.2
291.11322	0.9
299.15024	1.3
353.10184	2.5
365.19672	2.2
383.20715	1.5
411.20264	100.0
412.20660	13.2
439.60910	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99807	1.5
59.01371	4.4
71.05032	2.3
78.61462	1.8
80.91707	3.1
84.02174	1.8
88.45894	1.5
93.02776	1.6
95.05035	2.4
98.21812	3.5
98.95600	2.5
99.08153	5.3
99.92597	32.9
99.93213	3.1
115.92093	10.8
116.92881	3.2
125.09746	3.3
127.11255	2.9
139.11336	7.6
163.11230	2.8
165.12856	17.6
171.10326	9.1
183.13895	2.0
193.08464	23.9
193.12244	1.9
205.12151	2.2
207.10181	1.8
209.11937	2.1
211.13429	21.0
221.11589	10.5
229.14502	12.5
231.09975	5.9
233.11604	100.0
234.11925	6.4
249.11343	10.0
251.11470	26.1
251.12402	20.8
252.11406	3.6
294.05716	15.3
329.23352	52.9
330.23569	4.5
351.21548	65.5
352.21637	6.1
375.12439	1.7
376.13547	3.3
393.13400	1.8
394.14206	1.8
411.23163	2.8
412.15536	8.6
435.99829	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	411.2908
Annotation	Topsentisterol A3
Peak:m/z	Relative Intensity
61.94384	2.5
71.28004	3.1
87.00890	2.8
95.29436	2.3
99.31436	2.3
99.92592	3.2
106.64316	2.3
106.86459	2.1
210.14873	2.4
230.36440	2.7
371.44583	2.4
411.29010	100.0
412.29376	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	411.3271
Annotation	10Z,13Z,16Z,19Z,22Z,25Z-octacosahexaenoic acid
Peak:m/z	Relative Intensity
57.03445	0.7
59.01363	0.7
61.98824	0.5
69.03480	0.4
71.20748	0.3
83.05004	0.5
85.02984	0.3
87.04507	1.2
98.22567	0.5
99.00865	0.6
99.92586	0.9
109.06601	0.4
111.04521	0.3
115.92017	0.4
123.08183	0.6
125.09724	0.4
137.36678	0.3
145.41997	0.3
153.09198	0.5
162.72148	0.2
169.05080	4.3
171.68776	0.3
176.84833	0.3
187.11407	0.3
221.08412	0.3
228.73738	0.3
241.14433	0.7
293.21091	0.5
342.45895	0.3
367.30319	0.4
379.26880	0.4
383.29578	5.3
384.30035	0.8
391.30472	0.3
393.27737	0.7
395.29590	1.4
409.31039	1.0
411.32715	100.0
412.33020	15.4
425.30582	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3847
Annotation	26-hydroxyhexacosanoic acid
Peak:m/z	Relative Intensity
71.28491	0.5
79.49482	0.5
84.16360	0.4
99.92561	0.4
140.77930	0.5
155.14413	1.2
172.34235	0.4
239.23860	1.0
247.31226	0.4
365.38129	1.0
393.37454	2.1
411.38455	100.0
412.38803	13.7
435.92377	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	98.2
71.01395	54.4
71.28878	25.2
89.02449	100.0
107.96657	26.6
109.02995	46.3
119.03540	26.5
124.01775	22.1
125.02429	81.1
137.02449	33.4
167.03557	53.6
169.20413	25.6
191.41586	24.8
197.04645	25.6
332.04962	57.8
412.06784	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	412.198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79881	11.2
56.14289	10.3
59.01374	54.0
60.25697	10.3
62.14832	12.1
69.02047	23.4
69.02442	100.0
70.19858	12.4
71.01379	62.6
87.18306	11.8
89.02460	59.9
92.44470	11.6
99.24014	12.3
101.02433	19.1
113.02461	20.7
113.47198	12.4
119.47478	11.1
133.96341	12.2
157.06830	12.1
179.05582	17.5
276.08133	12.8
291.76019	12.0
298.69626	12.7
371.50687	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	412.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
57.80980	2.7
59.01360	3.5
66.45406	2.7
69.28658	16.4
71.01346	3.0
74.92968	2.5
81.03453	12.1
85.73160	2.3
89.02473	3.2
95.05016	6.3
97.02896	3.7
99.04512	13.9
123.04549	7.7
125.02452	37.3
137.02423	9.4
139.04031	3.3
165.05847	2.8
167.03511	100.0
179.03503	6.0
197.04541	22.5
222.00397	2.6
242.35823	2.8
287.07712	5.8
293.10269	16.1
323.11221	4.9
325.65640	2.9
413.14413	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	412.198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39899	26.4
53.97756	25.0
55.34455	24.6
57.03440	46.2
59.01396	40.1
64.32581	28.6
77.13871	26.8
101.02442	34.4
107.05043	100.0
119.03559	33.7
233.75275	30.2
312.16476	35.9
338.34604	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	412.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16819	0.4
58.02981	3.5
83.91877	0.3
110.02477	0.8
112.04055	1.3
153.12863	2.0
157.03828	0.7
169.12366	0.9
180.17569	1.7
194.15565	2.6
206.61415	0.4
222.15034	0.7
224.16566	100.0
224.57410	0.4
225.16931	5.5
226.62981	0.4
238.14484	3.2
275.60587	0.4
281.35968	0.4
366.65823	0.5
367.31921	0.6
396.47845	0.5
412.30753	0.4
413.32385	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0186
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85009	1.4
54.03781	1.7
55.07177	1.4
56.95633	1.4
58.62278	1.4
65.00306	7.4
66.12114	1.5
69.42605	8.3
73.09384	1.5
79.95719	5.6
80.96528	2.0
82.73972	1.7
89.00337	2.4
91.01831	1.6
93.03442	3.0
96.95963	2.0
97.02975	6.2
109.02965	4.7
109.15089	1.6
109.76218	1.6
115.39085	1.6
121.02969	6.4
123.00861	6.0
124.01669	22.3
137.02429	12.4
139.04025	56.5
140.04367	3.9
147.00874	8.6
151.75116	1.6
152.01155	3.3
153.01929	2.0
155.03421	3.3
162.70645	1.8
165.01945	85.9
166.02289	4.6
167.02153	3.4
167.03508	63.6
168.03806	3.3
175.00375	54.8
176.00868	3.3
178.99858	4.1
183.02959	1.9
193.01436	74.2
194.01758	3.2
195.03029	4.3
217.12889	1.8
221.91431	1.6
246.99176	81.9
247.99396	2.6
255.03073	1.7
256.03738	4.5
281.31140	1.9
283.02551	7.6
284.03345	1.7
315.05109	44.4
316.05475	5.9
331.04654	2.7
333.06238	11.8
336.95502	1.7
345.06592	1.8
385.02368	1.7
391.26001	1.6
413.01865	100.0
414.02087	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	413.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27759	3.3
54.12641	3.3
59.01373	6.6
61.79298	4.0
68.18752	3.2
71.01382	10.4
71.27470	3.5
85.02989	4.7
93.03483	4.3
95.01399	4.5
96.96016	21.4
108.02175	79.6
109.02961	26.7
110.32900	3.1
111.64010	3.3
114.93413	8.9
115.00384	6.5
118.03064	4.6
121.02908	3.5
125.02464	14.0
131.08286	8.1
136.04065	65.3
137.02470	5.3
139.04007	10.0
151.00499	4.0
151.04094	4.1
152.01164	66.8
152.39790	3.3
153.02010	29.1
164.07217	3.4
165.01953	13.5
167.03508	9.2
175.00430	7.8
193.01453	8.6
196.97691	5.1
202.48036	3.6
205.92056	4.3
208.06207	8.1
208.97668	15.9
223.84314	3.9
223.99992	5.7
236.97173	3.5
246.99133	10.0
249.28386	3.9
249.97919	4.1
250.98485	17.8
251.05432	4.4
252.05273	8.3
300.99899	5.2
315.07297	100.0
316.07425	8.7
353.01981	39.3
413.01523	7.1
414.10510	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	413.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64189	0.4
57.03448	2.4
59.01373	1.0
68.99803	0.5
69.03453	0.8
69.08622	4.3
71.01381	1.1
71.05006	1.3
81.03466	14.1
83.01376	3.4
93.03455	0.6
93.41119	0.5
95.05038	6.1
97.02956	5.2
98.21680	1.0
99.04522	13.1
104.81607	0.5
107.04981	0.6
111.04531	1.9
119.57430	0.5
122.03802	1.1
123.04530	5.7
124.01670	0.6
124.04927	0.5
125.02462	35.5
126.02796	1.4
135.04463	0.7
137.02457	6.5
139.04047	3.8
148.84171	0.5
151.04012	0.7
167.03511	100.0
168.03850	4.2
179.03502	2.8
197.04575	23.0
198.04944	0.7
209.04524	1.4
227.05605	0.9
236.49449	0.5
239.05569	0.5
269.06757	1.2
284.02899	0.5
287.07724	8.0
288.08029	1.0
293.10342	14.1
294.10699	1.1
305.10275	0.8
323.11398	3.6
359.77878	0.6
413.14404	5.7
414.15033	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.8
57.03452	100.0
59.01382	85.8
69.15891	2.5
69.16288	8.0
71.01385	21.9
73.02962	8.9
74.14435	1.2
81.03460	2.5
83.01395	4.9
85.02956	10.6
93.03513	1.6
95.01404	1.7
96.96035	4.6
99.00910	2.4
99.04532	73.1
100.04838	3.0
101.02454	31.4
101.03121	1.7
104.50156	1.3
113.02482	7.6
125.02457	29.8
137.02501	1.3
143.03525	1.9
149.92360	1.7
159.03069	1.8
161.04556	9.9
197.13527	1.4
224.61057	1.5
269.07678	2.8
269.10318	28.0
311.11426	1.9
413.05270	1.7
413.14609	4.9
422.48465	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
58.10191	4.3
59.01385	23.3
59.34622	4.8
61.98821	21.0
63.96223	4.9
71.01385	40.9
71.27935	4.4
71.28354	7.9
73.02948	10.4
83.01392	9.8
85.02947	14.4
89.02446	24.2
89.93372	5.1
96.72914	4.9
96.96037	5.5
97.02987	5.4
99.00887	7.7
101.02446	41.3
107.06052	6.4
108.04546	19.1
109.02947	5.9
109.83868	5.0
113.02451	14.9
118.03000	34.2
119.03516	5.3
120.99663	13.5
125.02436	20.7
128.18776	4.7
134.02518	6.4
134.03748	11.2
135.04549	5.5
136.04042	29.8
137.02484	5.9
144.04556	48.4
145.04997	4.9
149.06071	12.5
151.04024	6.4
161.04568	12.9
162.05634	41.8
163.04063	6.0
163.07832	8.5
188.03566	77.1
193.05070	14.9
221.10310	80.7
233.05643	18.1
251.05692	10.0
367.16092	100.0
368.16486	10.5
413.11728	51.2
414.10806	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	413.1975
Annotation	Magnoshinin
Peak:m/z	Relative Intensity
53.60176	0.2
55.62938	0.2
66.15794	0.2
69.27354	0.5
69.27769	0.5
93.17841	0.2
94.81264	0.2
95.62989	0.3
98.21774	0.3
101.17997	0.2
153.86511	0.2
195.72362	0.2
256.07343	0.3
270.05389	0.7
284.06882	0.8
285.07773	2.0
297.04083	1.9
298.04874	1.5
307.06244	0.3
311.05576	2.1
311.09222	0.5
311.12689	0.4
312.06226	0.2
312.09903	0.6
322.08414	0.7
327.12350	0.3
337.10822	10.4
338.11121	1.1
339.08798	0.4
340.09537	1.6
341.10123	0.4
355.11862	100.0
356.12219	10.8
378.20242	0.2
413.19681	83.0
414.20035	11.0
437.83426	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1971
Annotation	Magnoshinin
Peak:m/z	Relative Intensity
56.84713	0.2
66.46434	0.2
68.11118	0.2
71.28329	0.3
95.62981	0.4
98.80241	0.2
109.02947	0.9
118.02692	0.2
143.81375	0.2
162.80418	0.2
179.07127	3.5
180.07478	0.4
181.08716	0.9
241.08797	0.2
256.07410	0.9
270.05316	0.4
271.09747	0.6
284.06860	2.4
285.07639	4.8
286.07986	0.4
296.03131	0.3
298.04407	0.2
311.05853	1.7
311.09271	0.7
311.12592	1.4
312.06412	0.4
312.09952	1.7
337.10861	1.3
339.08682	0.4
340.09506	2.8
341.09790	0.4
343.15494	0.7
355.11865	100.0
356.12216	12.0
413.19699	89.0
414.20059	12.9
414.25711	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2549
Annotation	Feigrisolide D
Peak:m/z	Relative Intensity
51.44470	1.7
52.19071	1.4
57.03452	3.5
59.01362	4.4
60.30154	1.5
64.59895	1.4
70.61636	2.3
70.61987	2.5
71.01384	4.0
75.40993	1.4
76.73820	1.6
97.06582	11.4
111.08158	2.3
115.43623	1.6
123.08172	6.1
125.09740	52.2
126.10043	2.2
127.11326	1.7
161.02419	3.8
162.67017	1.5
173.11847	23.1
185.11819	4.2
187.09729	5.2
195.13892	8.7
196.14119	2.2
197.11668	3.2
197.95216	1.5
213.14909	2.2
221.11818	4.6
239.12836	5.7
243.16014	2.3
257.13968	9.2
268.14218	1.9
269.69351	1.7
369.20596	3.3
369.28058	2.4
395.25180	3.1
413.20053	3.7
413.25534	100.0
414.25882	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	413.3066
Annotation	3-Methoxy-16-octylestra-1,3,5(10)-triene-16beta,17beta-diol
Peak:m/z	Relative Intensity
50.03256	0.4
52.69827	0.5
57.03442	0.8
59.01368	0.8
61.17590	0.4
61.98844	0.5
70.06154	0.4
71.01388	1.0
83.01394	0.6
83.05015	1.1
97.06612	0.9
98.85560	0.5
108.02185	1.7
111.04525	0.8
121.05112	0.5
123.04525	1.3
125.02453	1.9
125.09723	3.0
150.26054	0.5
151.11134	0.4
165.09271	0.5
169.01431	1.2
173.11821	1.6
187.09789	2.1
209.08176	0.7
213.11327	0.9
233.34036	0.4
289.10727	0.5
313.20343	0.4
337.21356	0.5
340.76443	0.4
361.20361	0.7
369.22949	1.5
383.29584	0.8
395.24918	0.6
413.12479	1.3
413.26428	4.0
413.30640	100.0
414.25439	0.7
414.30978	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3064
Annotation	14alpha-Hydroxy-5beta-cholest-7-ene-3,6-dione
Peak:m/z	Relative Intensity
58.55653	0.3
62.56997	0.3
69.09193	2.5
69.09604	0.7
76.54089	0.3
97.83876	0.3
143.10794	1.7
175.16298	0.3
189.80067	0.3
210.41385	0.4
265.18311	0.4
287.22293	0.4
299.26080	0.8
311.09500	0.4
355.11880	1.8
366.97598	0.4
413.30627	100.0
414.16315	0.4
414.30948	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	413.3063
Annotation	14alpha-Hydroxy-5beta-cholest-7-ene-3,6-dione
Peak:m/z	Relative Intensity
56.21999	1.2
61.40015	1.2
79.24577	1.2
79.91562	1.2
98.22533	2.8
129.51065	1.3
299.72003	1.3
325.75244	1.5
339.25150	1.6
354.23682	1.6
413.30661	100.0
414.31049	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	413.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08067	0.7
55.83780	0.7
64.62564	0.8
71.05573	0.7
72.99299	0.9
75.00879	100.0
76.01238	1.0
95.17331	0.9
98.22598	3.2
111.88044	0.9
125.00000	1.1
155.98244	1.0
229.33168	1.2
286.56567	0.9
310.52084	1.0
355.32199	39.2
356.32507	3.8
413.27063	2.1
413.32727	10.3
414.32953	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46131	0.5
57.03452	0.8
58.79987	0.5
59.01380	4.0
61.98840	0.9
70.84631	0.9
70.84975	0.5
71.01382	10.8
72.99322	0.7
73.02940	0.8
85.02943	1.3
88.04042	1.4
89.02468	2.8
91.01884	0.5
93.03462	8.2
95.01429	1.1
101.02464	2.1
108.02173	1.4
109.02950	1.4
109.68369	0.4
112.04055	1.5
113.02449	2.2
115.00385	10.3
118.03006	9.3
119.03505	1.1
121.02973	0.7
123.00890	2.9
123.04539	1.0
124.01659	1.4
125.02463	1.0
127.00417	0.7
132.03024	1.0
136.04054	100.0
137.02460	5.4
137.04385	3.3
137.06076	0.5
138.03203	1.3
139.04019	2.0
143.03491	0.6
146.06163	1.2
152.01213	2.4
153.01912	1.3
161.04559	2.0
164.07167	6.2
165.01955	0.7
167.03479	1.1
169.01450	0.7
171.03021	0.6
190.06506	0.7
205.08638	1.2
208.06152	9.1
209.08221	0.7
234.04062	1.6
252.05145	13.2
295.08099	0.5
298.09335	0.6
299.08487	0.5
301.09412	0.8
396.09402	1.0
404.09009	0.5
414.10425	28.1
415.12424	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	414.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12194	0.6
61.98836	100.0
69.16035	1.5
69.16444	2.6
78.35304	0.7
94.60795	0.7
96.96043	0.9
98.22530	1.2
99.92583	0.7
108.66471	0.7
116.73750	0.6
194.04179	0.7
211.13464	1.7
229.14375	0.9
245.38490	0.7
255.87880	0.7
306.58176	0.7
329.23294	5.2
330.23972	1.3
342.81339	0.8
414.21225	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	414.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	16.6
69.24771	54.1
71.01385	33.4
85.02972	12.8
89.02428	14.1
90.22999	11.0
97.02989	12.2
98.22598	14.5
101.02425	12.6
119.03504	9.4
125.02484	66.2
126.02802	28.2
137.02472	30.2
149.99619	19.9
151.00204	14.3
161.04579	12.0
168.00648	34.7
169.01280	41.3
176.97968	10.3
270.98853	37.3
298.98355	42.7
314.00726	22.9
397.93729	10.3
413.61981	73.3
414.11362	100.0
414.93881	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84169	0.2
59.01373	0.2
61.98804	0.2
68.27814	0.2
71.28476	0.2
88.04048	100.0
89.03826	0.4
89.04388	1.3
109.02965	1.7
109.06581	0.4
110.06944	0.2
111.04528	0.7
113.09742	0.6
123.08115	0.3
125.09724	0.2
135.08231	0.2
157.08714	5.0
165.09291	0.3
173.11888	0.4
175.68129	0.2
179.07164	3.4
181.08693	2.2
198.18756	0.4
205.05043	0.3
209.08234	0.4
219.10286	0.2
224.16600	1.9
233.11862	0.5
237.42813	0.2
242.17642	44.4
243.17934	3.6
259.19189	0.4
315.25598	0.5
355.11835	1.7
396.31274	0.3
406.57062	0.2
414.32324	11.1
415.13568	0.4
415.17450	2.4
415.32935	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	414.323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92023	0.2
58.02974	0.3
61.83205	0.2
69.20242	0.5
69.20644	1.6
78.67938	0.3
87.04504	0.4
88.04047	100.0
89.04393	1.5
96.55976	0.3
109.02968	1.3
109.06593	0.5
111.04551	0.4
113.09703	0.5
125.09775	0.4
157.08716	7.7
158.09132	0.3
173.11902	0.4
179.07146	3.3
180.17706	0.3
181.08714	1.8
209.08353	0.3
224.16585	2.6
233.11961	0.4
242.17633	43.7
243.17981	3.1
259.19250	0.4
315.25418	0.6
355.11859	1.8
371.29803	0.3
396.31326	0.5
414.32382	9.2
415.17520	2.5
415.21976	0.5
415.33188	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	415.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	5.8
65.71658	0.8
69.13361	4.6
71.01398	3.7
73.02927	1.3
73.42306	0.8
81.03468	2.2
83.01389	1.5
85.02961	4.1
87.16285	0.8
88.45644	0.7
90.47723	0.7
91.47882	0.8
95.01430	3.8
101.02448	1.9
105.39545	0.7
108.02182	72.3
109.02966	64.8
109.04068	1.1
110.03303	1.1
113.02438	1.1
117.05521	1.3
121.02959	3.3
123.00111	0.7
123.00883	3.9
123.04550	1.2
125.02424	2.6
135.00865	1.4
137.02409	1.1
139.00400	1.0
139.04033	1.0
151.03998	1.8
152.01163	71.5
153.01956	32.9
154.02353	1.1
156.94308	0.8
165.01927	2.3
169.01416	2.6
183.36119	0.7
193.01364	1.0
199.01692	0.9
244.93291	0.8
253.07291	0.8
253.10732	1.3
271.04538	1.1
297.06146	1.2
313.05566	0.7
315.07391	4.7
335.02133	1.0
357.08313	11.4
395.20181	0.8
397.11615	6.3
415.12469	100.0
416.12796	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	415.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00240	0.7
59.01389	5.6
59.26922	0.5
69.03467	0.9
69.25702	2.1
69.26123	1.6
71.01388	4.3
73.02942	1.2
76.74775	0.6
81.03445	2.1
83.01374	0.8
85.02959	5.8
92.14578	0.5
93.03477	1.4
95.01388	3.4
99.00901	0.7
101.02451	1.8
108.02182	87.9
109.02966	66.6
110.03301	1.9
113.02498	1.2
121.02959	1.4
123.00907	2.6
123.04555	0.7
151.04034	1.1
152.01164	82.5
153.01958	27.4
154.02315	0.7
161.04619	0.6
163.04039	1.2
165.01952	1.7
173.82327	0.6
231.80090	0.6
253.10904	0.9
281.72687	0.7
297.06348	0.7
315.07242	5.5
357.08301	15.5
358.08585	1.1
397.11456	5.6
398.11710	0.9
415.12473	100.0
416.12811	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	415.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28056	0.5
57.03452	0.5
59.01375	4.1
60.55271	0.5
62.84427	0.6
67.01909	0.6
69.03481	0.7
71.01381	5.8
71.05009	1.0
73.02952	1.5
79.01880	1.2
80.41257	0.5
82.00620	0.6
83.01394	1.1
83.05006	1.1
85.02956	3.6
87.00893	0.8
93.03412	0.7
95.01389	2.4
99.00855	0.8
101.02450	2.8
101.06071	1.2
107.01369	3.2
108.02189	13.4
109.02962	11.5
110.00138	0.6
111.00880	1.7
111.54052	0.5
112.53896	0.5
113.02451	1.9
121.02901	0.6
123.00895	12.7
124.01687	1.7
125.02454	14.7
136.98804	1.3
137.02553	0.6
139.00385	5.3
140.01155	3.8
141.01994	1.2
147.08118	1.5
151.00386	9.0
151.03934	0.5
152.01160	11.9
153.01965	5.3
159.02979	0.9
163.03964	0.9
168.00697	3.3
169.01428	17.3
170.01778	0.8
177.04022	1.0
191.07130	0.8
196.59151	0.5
209.08162	0.9
211.02492	1.4
213.89580	0.6
271.04669	0.7
277.38507	0.6
297.27090	0.6
313.05624	1.3
315.07135	1.6
315.81659	0.5
357.08313	2.7
371.13275	0.6
397.11633	1.4
415.12463	100.0
416.12695	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	415.125
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63192	0.7
57.03454	1.1
59.01368	3.0
66.17194	0.8
67.31606	0.8
69.03458	1.0
69.36179	4.2
71.01101	0.6
71.01392	7.5
71.05019	2.1
71.81522	0.8
72.99297	0.9
73.02943	7.9
79.01879	1.1
79.70695	0.8
81.03438	2.6
83.01386	1.3
85.02967	5.9
89.02460	1.7
93.03438	1.8
95.01401	3.5
99.00940	0.8
101.02451	3.4
108.02184	79.5
109.02976	61.8
109.03592	0.8
110.03294	2.5
113.02440	2.6
115.94521	0.9
117.05589	5.8
118.98070	0.8
121.02956	1.5
123.00902	3.0
123.04565	1.7
137.02443	2.7
139.03955	1.2
151.03981	1.0
152.01164	72.6
153.01961	27.5
154.02303	1.1
161.04538	3.5
163.04013	1.6
165.01955	2.4
175.04044	0.9
176.29895	0.7
179.03604	1.0
195.03082	1.0
218.67502	0.8
253.07155	1.3
315.07242	1.4
347.55756	0.9
371.09799	7.2
397.11258	2.7
415.12445	100.0
416.12775	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	415.1402
Annotation	Schisantherin P
Peak:m/z	Relative Intensity
56.69748	0.3
68.97948	3.0
68.98357	0.8
76.25418	0.3
79.56539	0.3
87.04523	1.6
95.05045	0.6
101.88370	0.5
109.02965	1.9
111.04534	5.7
121.67271	0.4
123.08151	0.8
125.06071	0.5
135.04575	0.4
137.06091	1.5
137.09763	0.4
139.04015	0.9
139.07622	0.5
141.09271	0.9
149.02455	0.4
153.09113	0.4
161.06049	0.5
162.03084	0.5
163.04031	0.8
165.09251	0.5
167.07158	1.0
177.01962	0.5
177.05508	0.5
179.07178	3.5
179.10773	1.3
180.99765	0.4
181.08713	1.3
187.03984	0.6
187.07642	0.4
188.04817	0.4
189.05585	1.0
191.07155	0.8
193.08705	0.7
201.05544	0.7
203.07130	1.0
204.04430	0.8
205.05066	1.6
205.08699	0.6
207.06628	1.0
209.08160	0.5
213.05537	0.3
215.03633	0.5
215.07010	0.5
216.07948	0.5
219.06630	2.3
219.10246	0.8
220.07172	0.4
221.08220	1.0
223.09769	9.9
224.10237	0.5
228.04274	0.5
229.05093	0.7
229.08670	0.6
230.02145	0.5
230.05824	0.6
231.06580	0.8
231.10260	1.0
233.08150	2.7
235.09677	0.6
239.07121	0.5
241.08659	0.6
243.06648	0.5
244.10748	0.4
245.08421	0.4
246.05325	0.5
247.06020	1.9
247.09756	4.6
247.13361	0.8
248.06825	1.3
248.10367	0.4
249.07782	1.1
256.03787	0.4
257.04550	0.5
257.08194	2.5
257.10773	0.4
257.11594	0.3
258.01715	0.9
258.08627	0.3
259.02390	1.2
259.09766	2.7
259.12488	0.3
259.13284	0.3
261.07715	0.8
267.06671	0.6
273.07629	0.5
273.11276	0.7
275.09250	7.4
276.09625	0.4
277.14569	1.7
283.09839	0.7
285.07724	5.0
286.08289	0.7
287.02078	0.4
287.12930	0.5
297.04233	0.6
299.09262	2.7
299.16492	0.5
300.10019	0.8
301.07126	1.0
301.10825	3.3
302.11258	0.4
303.08847	0.9
311.05685	0.6
312.06525	1.3
313.07172	0.4
315.04932	0.7
315.12347	0.8
317.10269	1.3
325.14191	0.4
327.08820	5.3
327.12350	0.8
327.16138	0.5
328.09293	1.7
329.06696	7.7
330.03409	0.5
330.07428	8.7
341.10123	0.4
343.15463	1.8
344.09085	3.2
345.09729	1.0
345.13483	0.6
357.06177	5.2
357.10046	0.6
358.06909	4.8
359.07144	0.4
367.08249	1.3
369.13550	0.5
371.15027	5.7
371.26035	0.5
372.15292	0.8
382.10593	2.2
385.09464	2.0
387.14490	3.2
388.14728	0.6
397.13043	3.1
398.13266	0.9
399.10931	0.8
400.06277	0.8
400.11667	42.2
401.12018	5.3
415.13995	100.0
415.20782	4.7
415.25262	3.3
415.31992	2.8
416.14331	12.8
416.25934	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1402
Annotation	Schisantherin P
Peak:m/z	Relative Intensity
69.12059	2.2
69.12480	2.3
87.04500	1.7
96.42206	0.5
98.21779	1.2
98.29904	0.5
109.02946	9.0
111.04522	8.5
112.04846	0.6
115.62126	0.5
125.55733	0.5
138.82721	0.5
139.07600	0.7
141.09239	0.5
163.07637	0.5
167.07109	1.5
175.07695	0.6
176.04813	0.7
177.05519	0.6
179.07155	25.6
180.07509	1.5
181.08757	3.0
183.06638	1.7
187.04031	0.6
188.04797	0.6
189.05481	0.8
191.07214	0.7
203.07140	0.8
204.04314	1.2
205.05058	1.2
205.08813	0.6
207.06639	1.3
215.03304	0.6
215.07176	0.5
219.06682	3.4
219.10239	0.9
221.08295	0.8
229.05072	1.0
229.08653	1.4
231.02882	0.6
231.06624	0.7
231.10283	1.3
233.08188	1.3
233.11832	0.7
246.05263	0.5
247.06117	2.2
247.09753	7.8
248.06841	1.3
248.10085	0.7
249.07578	1.1
257.04489	1.0
257.08197	2.3
258.01630	0.6
259.02307	1.2
259.06006	0.5
259.09702	3.7
262.12045	0.6
271.09671	0.6
273.04276	0.7
273.07635	1.0
273.11273	0.8
274.04822	1.2
275.09259	7.2
283.05597	0.8
283.09790	0.7
285.07675	3.3
286.01019	0.7
287.02078	1.0
288.02762	0.8
297.04019	1.5
299.09323	4.0
300.09763	1.2
301.07416	1.3
301.10764	3.6
302.04153	0.7
303.08902	1.2
311.05746	1.3
312.06339	2.4
313.07217	0.7
315.01605	1.1
315.05109	1.4
317.10233	1.3
327.08646	3.7
328.09436	1.7
329.06775	6.7
330.07428	7.5
331.07919	0.7
343.15494	1.4
344.09058	5.1
345.09692	1.8
357.06143	7.9
357.09961	0.7
358.06903	6.7
367.08267	2.0
371.14969	8.1
372.15369	1.1
381.09747	0.8
382.10590	1.9
383.11380	1.0
385.09341	1.9
387.14441	2.9
397.12860	3.6
398.13452	1.0
399.11078	0.8
400.11652	44.9
401.12000	4.1
415.13992	100.0
415.25031	11.4
415.32303	2.4
416.14285	12.7
416.25427	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62719	0.6
55.01880	8.0
56.62474	0.6
57.03450	7.3
58.00586	2.0
59.01382	50.9
60.01710	0.8
66.58353	0.6
68.99797	1.0
69.03452	2.8
71.01385	95.5
71.05032	1.3
71.28414	0.7
72.01730	1.0
72.99315	3.1
73.02955	42.6
75.00891	1.0
79.63474	0.6
81.03463	2.5
83.01394	30.5
85.02956	47.5
86.00101	1.0
86.03291	0.9
87.00866	3.9
89.02451	12.2
93.03472	1.4
95.01382	7.5
96.11294	0.6
97.02951	5.3
97.78826	0.7
99.00889	12.8
101.02451	85.7
102.02810	2.3
103.04008	5.5
108.02177	38.7
109.02969	29.7
113.02460	35.5
115.04027	1.2
117.05583	6.6
118.98123	1.3
119.03524	2.7
121.03012	0.7
123.00916	1.4
123.04538	1.0
124.12279	0.6
125.02444	8.0
127.04073	1.3
129.01950	1.7
135.04581	0.9
137.02432	1.5
139.03998	0.8
143.03514	6.0
145.05103	1.7
151.04022	1.0
152.01157	35.3
153.01973	15.9
159.02986	8.5
159.71130	0.7
161.04567	64.4
162.04915	2.8
163.03993	0.8
163.06189	3.4
165.01990	1.0
183.78036	0.6
205.03513	1.4
205.07236	0.8
229.07198	1.7
247.08257	3.9
258.79425	0.7
269.10309	100.0
269.41022	0.7
270.10696	6.7
297.06027	1.0
313.09192	0.8
315.07251	1.2
371.09790	1.2
415.12335	40.3
415.16394	18.5
416.12247	5.1
416.17505	1.1
428.23761	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.7
58.00589	3.1
59.01384	74.7
59.53467	0.6
60.01714	1.2
69.00063	1.5
69.00471	4.1
69.03479	0.7
71.01388	56.4
72.01719	1.3
72.99312	2.9
73.02954	18.7
83.01391	1.9
85.02958	5.8
87.00854	1.8
89.02451	100.0
90.02784	1.3
95.01413	1.3
97.02960	1.4
99.00889	29.4
101.02450	34.4
109.02988	0.6
109.27967	0.6
110.41949	0.6
113.02460	12.2
119.03498	8.0
124.00770	0.6
125.02456	5.5
131.03528	16.6
143.03506	1.7
149.04570	50.7
150.04915	1.7
161.04556	2.7
179.05672	2.1
191.05623	15.5
192.06026	0.7
221.06647	1.1
246.58035	0.6
251.07628	3.1
252.08643	0.5
415.16138	6.7
416.15356	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47146	1.6
53.19345	1.5
53.32495	1.7
55.76626	1.4
58.20206	1.4
59.01385	100.0
67.95145	1.5
71.01370	6.2
71.29889	2.4
77.33330	1.7
85.02935	2.7
87.04514	1.5
89.02451	4.5
91.17326	1.8
91.58414	1.7
96.95995	2.2
101.02473	3.6
113.02425	2.8
125.67770	1.5
128.26630	1.5
152.02942	1.6
153.02124	1.8
159.76608	1.5
161.80620	1.8
163.04013	4.2
163.84366	1.6
178.06310	4.0
191.93318	1.7
193.08665	5.0
262.68390	1.5
297.03842	1.7
343.11972	1.8
343.21310	3.5
390.43472	1.6
399.31595	1.6
415.10587	2.4
415.18195	7.5
415.23886	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	415.1774
Annotation	Pyramidatin D
Peak:m/z	Relative Intensity
50.91974	1.1
51.36302	1.5
58.00585	1.3
58.15566	1.4
59.01374	2.0
59.84187	1.4
61.98828	3.3
69.13684	5.3
69.14104	4.8
83.05062	1.5
83.30621	1.3
96.96017	100.0
98.21782	2.2
118.94220	2.2
155.33920	1.4
214.93163	1.3
243.33719	1.3
248.47429	1.4
261.91019	1.3
383.21811	1.5
415.12680	2.8
415.17722	43.6
415.22781	2.0
415.28885	2.6
416.18030	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	415.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
68.99532	5.1
69.24854	30.3
71.01389	49.6
71.05005	4.8
73.02962	6.9
78.24740	3.8
78.37335	4.1
78.75242	4.0
81.03465	6.2
85.02965	12.2
89.02457	61.9
95.05053	5.7
97.02956	5.6
99.04545	8.5
101.02425	20.5
107.07225	5.0
113.02460	13.3
119.03513	18.4
125.02457	27.5
126.02700	6.5
137.02437	8.5
139.03972	5.1
143.03456	7.2
149.04514	4.6
167.03522	24.6
168.03815	19.5
169.03987	17.6
173.05835	4.3
179.05618	15.4
195.15889	4.0
199.05196	5.6
209.08215	7.3
223.13390	28.8
264.07669	5.8
267.12317	5.6
356.08798	15.1
390.88721	4.3
415.06879	10.7
415.14996	8.9
415.20038	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	415.2131
Annotation	Deoxyschizandrin
Peak:m/z	Relative Intensity
50.12668	0.2
52.81987	0.3
66.07159	0.2
66.77358	0.2
70.03089	0.6
74.99096	0.3
77.00673	3.1
87.04505	0.5
93.07099	0.7
95.05042	0.6
107.05016	0.7
109.02955	0.8
109.06590	0.9
111.04525	3.8
113.09673	0.3
117.65165	0.2
119.05003	0.6
120.05812	0.8
148.08943	0.7
163.03993	0.7
163.11299	11.0
164.11511	0.3
179.07133	2.3
181.08749	0.4
189.12892	1.7
191.03571	0.3
191.10849	0.5
196.24333	0.3
205.05025	0.6
205.12456	0.5
207.06657	0.7
207.10263	3.4
215.07098	0.4
217.08539	0.3
219.06618	1.7
231.06532	0.4
231.10274	0.6
231.13831	0.4
233.08183	16.0
234.08597	1.0
243.06604	0.8
247.09773	1.8
248.10443	0.8
249.11284	0.8
259.17038	0.9
261.07687	15.6
262.08069	1.2
262.12341	0.3
275.12860	1.0
276.10010	0.5
283.09772	0.4
287.09256	1.1
287.12589	0.5
291.41110	0.3
301.10779	4.2
301.18100	0.5
302.11377	0.4
303.16086	0.6
315.08386	0.2
337.21695	4.7
338.21930	0.6
345.17050	4.0
346.17642	0.5
371.22275	1.0
385.16840	0.3
397.20087	0.3
415.21237	100.0
416.21591	14.4
416.27216	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2131
Annotation	Deoxyschizandrin
Peak:m/z	Relative Intensity
50.73265	0.3
56.92162	0.3
57.03447	0.7
58.60160	0.3
59.01378	0.6
61.83946	0.3
61.98809	0.4
65.24430	0.6
69.67018	1.7
72.20368	0.3
72.99309	5.9
83.01356	0.3
83.05045	0.5
95.01365	0.6
97.06604	0.9
101.02442	0.6
108.80338	0.4
109.02962	30.9
110.03288	0.9
111.04507	2.5
111.08170	0.8
113.06134	0.4
113.09740	1.0
123.00922	1.1
124.01695	0.4
125.09727	4.3
135.00841	0.5
137.02373	0.3
155.10713	0.4
161.06073	0.6
171.10275	2.5
173.11835	3.7
174.12132	0.3
179.07149	100.0
180.07500	5.1
181.07138	0.5
181.08705	6.0
187.09752	1.4
197.11867	4.9
219.06616	0.7
232.42110	0.4
233.11865	0.6
247.06006	0.9
247.09868	0.6
261.13412	0.7
329.23431	1.0
331.24860	2.6
353.24426	0.4
371.07727	1.2
371.14639	0.5
371.25797	0.4
371.29633	2.9
397.22452	5.1
397.27307	0.7
398.22525	0.7
415.21335	60.4
415.28238	10.7
416.21674	8.8
416.28741	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2129
Annotation	Deoxyschizandrin
Peak:m/z	Relative Intensity
53.88102	0.4
57.03446	2.0
59.01373	1.8
65.03023	0.4
65.24464	0.5
70.26038	0.5
70.26397	1.6
71.01392	2.2
71.06435	0.5
71.34668	0.4
73.02930	1.0
73.89990	0.4
78.10693	0.4
81.03498	0.5
83.05046	1.0
85.47943	0.4
87.04531	0.7
88.04047	0.6
89.02446	0.5
92.06466	0.4
97.06596	0.5
101.02478	1.0
104.46885	0.5
109.02960	47.9
110.03284	1.2
111.04529	6.2
112.62768	0.5
113.09756	3.0
123.08202	0.7
125.02425	0.5
125.06096	0.8
125.09716	1.3
127.11279	0.4
135.00916	1.0
135.04507	0.8
135.08202	0.6
137.06110	0.6
139.03998	0.5
149.09724	0.4
163.07657	1.2
164.29353	0.4
165.12909	0.7
178.06393	0.5
179.07152	100.0
180.07509	4.9
181.08722	14.5
182.09016	0.9
183.13939	1.0
191.07170	0.5
193.08508	0.5
195.13896	1.1
209.08252	1.3
213.15068	0.6
216.23186	0.5
218.09491	0.5
219.10262	0.6
221.11855	0.5
233.11862	2.5
237.14825	0.4
241.08763	0.7
247.09682	1.1
259.09604	0.5
275.13074	0.6
285.07730	0.6
291.19763	1.0
293.21216	1.8
309.20651	1.1
311.05566	0.6
311.22244	2.7
313.07242	3.9
313.23892	0.9
343.26337	0.7
371.14990	4.0
371.29810	2.2
372.15747	1.4
397.27063	0.6
415.14227	2.7
415.21295	58.5
415.27231	27.6
416.21634	8.7
416.27563	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	415.2129
Annotation	Ardisinone C
Peak:m/z	Relative Intensity
66.43539	0.3
70.92615	0.6
75.19503	0.3
109.02959	33.0
110.03291	0.8
111.04516	0.6
113.09727	1.4
126.88810	0.4
135.00894	0.7
143.32161	0.3
156.04175	0.4
166.06404	0.4
179.07143	100.0
180.07469	4.8
181.07108	0.7
181.08713	12.3
182.09042	0.6
191.07187	0.3
222.10118	0.3
227.24597	0.3
233.11836	2.0
237.44611	0.3
328.13516	0.3
400.11578	1.1
415.14197	3.4
415.21320	18.1
416.14774	0.4
416.21573	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	415.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
71.28469	1.7
74.98394	1.1
74.99101	7.3
77.00674	77.4
102.02306	1.2
104.34893	1.2
105.55264	1.2
112.88499	1.1
147.08145	1.4
149.09781	1.5
161.09796	1.3
163.11348	2.3
187.11313	2.3
279.13745	1.5
279.27069	1.8
309.22311	2.4
323.25806	1.4
337.21747	100.0
338.22049	12.1
342.20682	1.7
343.20807	1.4
415.23422	10.9
415.28479	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	415.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	5.2
57.03452	5.4
58.00594	2.3
59.01381	47.5
61.29982	0.6
62.18509	0.6
64.02625	0.6
67.99878	0.5
69.25119	3.8
71.01385	100.0
72.01739	1.7
72.99310	3.3
73.02947	25.6
74.24671	0.5
75.00889	1.2
75.40932	0.5
81.03493	0.7
82.99487	0.6
83.01398	11.0
84.02182	0.7
85.02955	40.0
86.00130	0.8
87.00870	4.8
87.04509	1.0
89.02452	29.5
90.76099	0.5
95.01400	8.0
97.02957	2.3
98.22495	0.9
99.00877	10.6
101.02451	58.3
102.02798	1.0
111.00897	0.9
113.02454	38.6
114.02811	0.8
119.03502	11.6
121.03077	0.8
123.25398	0.6
125.02485	2.7
125.06124	1.0
129.01987	1.7
131.03543	0.9
139.00398	0.6
143.03499	5.3
147.11842	1.5
149.06177	1.1
159.02992	8.7
159.06613	4.0
161.04567	45.4
162.04988	1.8
179.05685	2.7
205.03552	1.3
209.06082	0.6
223.13354	1.1
231.27115	0.6
249.09879	1.4
267.06778	0.8
269.08011	0.7
277.07129	4.3
303.19537	0.6
307.08386	1.2
343.11874	4.1
345.19174	15.6
346.19739	1.9
397.11899	0.7
415.12393	3.7
415.23563	5.8
416.23990	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98855	0.8
55.01878	6.6
57.03453	5.1
58.00579	1.9
59.01381	50.6
62.70811	1.0
63.12618	0.9
69.28548	3.7
69.28968	1.6
71.01385	100.0
72.01709	1.9
72.99308	2.7
73.02951	27.7
75.00859	1.7
75.89384	1.0
83.01398	11.1
85.02955	40.0
86.00090	1.4
87.00895	5.0
87.04546	1.4
89.02447	30.2
90.09449	0.9
95.01377	6.0
97.02985	2.1
99.00882	10.7
101.02450	65.8
112.06485	0.8
113.02460	46.1
114.02837	1.5
119.03505	10.4
125.02451	2.8
127.60752	1.0
129.01942	1.1
131.03465	1.8
134.48166	0.9
143.03488	5.9
159.03020	9.1
159.06662	6.0
161.04568	50.3
162.04893	1.2
179.05591	3.9
249.09883	1.7
343.11667	1.4
345.19180	14.0
415.23529	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	415.234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	5.5
57.03453	7.3
58.00597	4.5
59.01382	68.4
69.03444	1.4
71.01385	100.0
71.05031	1.6
72.01712	1.3
72.99295	3.2
73.02953	23.7
75.00875	1.5
76.96940	0.8
83.01396	11.9
85.02956	40.1
87.00884	9.1
89.02448	46.6
93.07166	0.9
95.01388	8.0
97.02960	2.0
97.06593	1.2
99.00880	11.4
101.02449	67.4
101.06102	2.7
102.02770	1.0
107.05085	1.1
113.02455	41.1
119.03505	19.0
125.02451	3.1
126.70332	0.9
129.01944	1.1
131.03510	2.0
132.44875	0.9
134.85901	0.8
141.09218	2.6
143.03455	5.2
145.36571	1.0
149.04576	1.2
159.03003	7.4
161.04567	45.5
162.04826	1.5
165.12868	13.0
179.05605	3.9
179.06970	1.0
183.13942	10.2
205.03502	1.4
213.11342	3.2
235.17027	2.3
253.18089	5.1
303.14737	6.1
344.04547	1.0
345.19229	7.2
415.23465	9.9
416.24625	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	415.2492
Annotation	Macrolactin M
Peak:m/z	Relative Intensity
50.07716	0.6
54.63170	0.5
57.03428	0.5
58.87563	0.4
59.01372	1.5
59.39514	0.5
85.02959	1.1
85.06583	2.8
87.04520	3.8
95.05009	0.7
96.02213	0.5
111.04534	4.4
111.08171	1.3
112.62956	0.4
113.02397	1.1
113.06091	0.6
115.68481	0.5
135.04443	0.5
139.07648	1.2
149.06114	0.5
151.03935	0.4
153.05585	1.3
155.07170	0.9
165.05576	1.4
166.06296	0.4
167.07127	1.5
168.08011	0.7
171.95210	0.5
177.05568	1.4
178.06364	0.5
179.07149	0.6
181.05006	0.5
183.06635	7.5
183.08257	0.6
191.07132	3.1
192.07799	0.7
193.05090	1.0
193.08778	0.7
194.05849	1.2
205.08646	1.7
207.06567	0.5
209.04881	0.5
209.08185	0.9
219.06668	4.3
219.10222	4.3
220.06885	0.7
220.10936	1.4
221.08226	2.0
221.11783	1.3
223.09738	1.6
224.06932	0.5
235.13408	0.7
237.07722	0.9
237.11337	12.0
238.11670	0.9
243.10254	0.5
247.09749	9.5
248.10139	0.9
261.11411	1.4
262.12134	6.7
263.12906	4.9
265.10809	4.2
271.25299	0.4
279.12277	1.1
285.18765	0.9
303.12405	1.0
303.19418	0.7
311.16412	0.7
329.17630	0.7
355.22833	1.9
371.26025	0.9
373.23953	0.9
397.18643	0.5
397.23871	10.2
398.24283	1.9
415.24918	100.0
416.25250	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	415.2487
Annotation	Macrolactin M
Peak:m/z	Relative Intensity
61.21668	0.2
64.08618	0.2
68.99796	0.4
69.23116	0.9
69.23520	0.7
69.59284	0.2
73.36290	0.2
76.89468	0.2
78.74943	0.5
79.01878	0.2
85.06599	0.5
87.04517	1.3
93.64865	0.2
95.05013	0.7
97.06593	0.3
98.21761	0.4
107.05019	0.4
109.02936	0.4
111.04530	16.6
112.04839	0.6
120.05811	0.3
121.06618	0.4
125.09764	0.4
125.33644	0.2
147.08150	0.7
149.06123	0.3
159.04500	0.6
163.04001	0.4
163.07695	0.4
163.11258	1.5
175.07690	0.7
176.04730	0.3
177.01949	0.7
177.05580	5.1
177.12871	0.3
190.10046	0.4
191.07172	1.6
192.07904	0.4
203.03490	2.0
203.10817	0.7
204.04279	1.4
205.05101	1.6
205.08730	0.6
207.06599	0.3
208.07304	0.3
215.10886	0.3
217.05145	0.2
217.12390	0.5
219.06638	20.8
219.09911	2.9
219.13823	0.7
220.07076	1.4
221.08191	0.8
229.08708	3.6
232.07382	0.6
233.08197	3.8
233.11763	0.7
234.12651	0.8
243.10199	0.4
247.09755	100.0
248.10088	6.9
261.11346	3.2
262.12100	9.8
263.12582	0.9
277.10843	0.6
294.11102	2.0
327.19693	1.2
329.17667	0.6
331.15698	0.5
353.24866	0.4
371.25858	3.6
372.26358	0.4
415.24918	90.9
416.25247	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	415.2858
Annotation	12beta,22-Dihydroxy-24-methylscalar-17-en-24,25-olide
Peak:m/z	Relative Intensity
59.01381	4.2
59.23317	2.9
60.99304	11.8
69.03448	3.7
71.28326	3.6
79.92662	2.9
88.04048	100.0
89.04368	18.7
93.41982	2.8
95.05016	6.4
109.02946	39.4
111.04529	7.4
113.09743	4.4
131.08691	18.8
137.09752	4.2
157.01462	4.5
159.72237	2.8
175.07663	3.9
179.07141	65.5
181.08733	41.3
198.93896	3.2
209.08226	4.3
233.08112	4.7
233.11871	7.4
235.06186	4.5
242.17592	27.6
243.17926	32.3
244.18240	4.3
247.96996	2.6
254.91003	3.2
315.25391	3.1
333.22324	5.7
335.23929	27.9
336.24170	8.1
337.25372	8.4
349.25305	10.5
351.26959	99.3
352.27316	12.8
353.25122	4.0
353.28506	85.6
354.28894	13.8
357.28217	4.1
367.26468	8.1
369.28000	80.8
370.28247	11.9
371.18924	4.6
371.29593	40.9
372.30182	4.8
381.24564	3.5
383.25925	5.6
385.27463	19.8
397.27448	20.7
398.27975	4.0
415.13336	6.7
415.21375	12.0
415.28561	65.5
415.32370	6.0
416.14227	4.1
416.28955	13.0
429.26440	4.5
433.81876	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	415.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03471	1.2
59.01394	1.4
71.28010	0.8
80.95662	0.8
91.04052	1.4
91.98271	0.7
121.45966	0.7
122.00487	0.8
125.17409	0.7
154.53848	0.8
162.47197	0.6
277.25433	1.2
279.26956	86.0
280.27274	8.9
283.00327	0.9
297.28098	1.9
323.25934	43.8
324.26132	5.5
341.26971	100.0
342.27313	11.5
343.21124	0.9
415.30753	40.9
416.31152	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	415.307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17503	1.9
59.01381	1.9
63.76338	1.4
64.02381	1.7
68.98888	1.6
71.28194	1.5
71.28648	2.5
72.99310	3.8
104.30955	1.7
114.84857	1.6
137.53078	2.3
239.62175	1.7
279.26956	93.7
280.27298	9.4
323.25949	52.1
324.26309	3.3
341.26981	100.0
342.20776	6.5
342.27466	11.8
343.21237	3.3
346.95789	1.9
354.20776	3.9
380.15012	1.7
401.64154	1.7
415.30612	44.5
416.31000	6.5
425.43478	1.8
427.89328	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	415.3219
Annotation	EnP(5,8)
Peak:m/z	Relative Intensity
66.25660	0.3
66.90922	0.3
98.22536	0.8
111.62431	0.3
124.80476	0.3
143.86487	0.3
286.42203	0.3
288.88925	0.3
356.12225	0.7
357.12454	1.7
415.20932	2.8
415.32190	100.0
416.32550	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	417.0831
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
52.67310	0.7
59.01373	1.4
61.98820	1.9
69.15568	2.9
69.15984	2.6
71.21560	0.7
89.02455	0.9
98.22592	1.3
101.02425	1.3
107.01394	1.2
109.02992	0.7
132.02238	0.9
151.00385	2.2
164.90001	0.8
181.05063	1.6
181.88234	0.7
187.03995	1.2
199.90189	0.8
211.03972	1.4
227.03508	77.5
228.03876	4.8
229.05002	1.4
255.02998	94.7
256.03528	12.4
257.04214	1.4
284.03275	90.9
285.03964	26.7
286.04504	1.3
327.05292	0.9
417.08298	100.0
418.08597	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	417.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	6.2
65.70415	1.1
69.06186	8.7
71.01363	4.8
85.02948	3.5
93.03436	1.2
95.01373	2.3
101.02393	1.9
108.02181	54.6
109.02982	15.9
111.00857	1.8
120.99706	1.9
122.16607	1.1
123.00859	2.5
125.02441	4.0
131.09074	1.0
137.02400	2.8
151.00433	1.3
151.03972	1.8
151.07631	1.6
152.01161	100.0
153.01785	4.3
163.03987	1.8
164.55003	1.1
169.01370	2.3
193.08659	1.2
211.02527	1.8
271.04468	3.2
285.06482	1.5
417.10352	83.0
418.10892	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	417.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.5
59.01101	3.6
59.01384	61.3
60.01038	2.0
63.54467	2.2
66.84586	2.0
67.36406	2.5
69.04058	17.2
71.01041	2.9
71.01388	36.6
72.97557	11.5
72.99309	4.4
73.02933	7.9
79.01910	3.4
83.01382	3.4
85.02967	11.8
87.00895	5.9
89.02455	31.3
93.03465	23.1
95.01391	6.9
98.21764	3.5
101.02450	23.2
103.04018	4.8
105.58543	1.9
107.01376	5.7
108.02206	7.0
109.02953	7.3
111.00888	3.8
111.63144	2.1
113.02440	11.9
117.05515	2.0
117.91869	1.8
119.03527	14.0
119.05033	2.6
120.99679	4.5
121.02976	3.1
122.32826	2.3
123.00883	19.1
123.04556	5.1
124.01709	4.1
125.02457	56.7
133.02950	2.6
134.97595	2.8
137.01472	4.1
137.02457	57.4
137.06100	3.6
138.03067	3.1
139.00374	6.3
139.03989	3.1
140.01189	3.8
145.06567	2.3
151.00404	11.0
151.03990	6.8
151.07652	57.7
152.01167	7.7
153.01941	5.3
154.46387	2.0
161.04541	4.1
163.04024	2.5
165.01920	2.9
165.05565	5.7
165.31294	2.0
167.03452	4.0
167.07166	5.3
168.00697	11.2
168.99989	4.1
169.01439	71.0
170.01857	2.8
177.02034	2.1
179.03464	4.3
180.04277	5.1
181.05083	11.2
181.08736	2.4
191.05638	3.8
192.07874	4.4
193.08682	9.9
195.06616	7.8
201.89442	2.3
202.70476	2.3
203.97566	2.1
204.04301	3.3
211.02490	33.4
211.06075	6.4
211.09776	25.2
219.06654	4.1
237.07603	4.9
255.08813	11.2
256.09534	2.2
265.09341	12.1
271.04617	50.7
272.04932	3.0
283.10327	3.4
310.73944	2.4
313.05661	3.6
331.06610	2.6
343.13852	6.0
399.13019	3.3
417.10315	100.0
417.14420	30.8
418.10373	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	417.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47670	0.5
70.92506	0.5
70.92848	0.6
74.77810	0.3
79.01826	0.5
81.03373	0.9
83.01292	0.5
85.06510	0.6
87.04427	0.7
93.03378	0.6
93.04002	0.3
95.04955	0.7
97.02882	0.4
107.05025	1.7
108.02103	0.4
109.02943	2.2
109.06517	1.2
111.04530	7.5
123.00837	0.5
123.04542	4.5
123.08109	0.7
125.02360	1.1
135.00845	0.5
137.02454	13.8
138.02715	0.4
139.03983	0.9
139.07585	0.4
149.02336	0.6
150.03096	0.7
151.04019	11.6
151.07658	7.1
152.07918	0.4
159.08090	0.6
161.06082	0.6
163.00375	2.7
163.07587	0.6
165.09219	5.6
177.01933	2.4
177.05455	0.4
177.09149	0.8
179.07187	1.9
189.05577	7.1
193.08743	2.6
194.09106	0.5
195.06636	24.8
196.06905	1.1
203.07147	6.6
205.05179	0.4
205.08694	2.1
207.06631	100.0
208.06981	7.2
209.08191	19.2
210.08533	1.2
221.08194	89.0
222.08508	5.8
229.13194	0.3
231.06732	0.5
235.09859	0.4
248.06982	1.1
257.11929	0.8
261.07898	1.0
261.11349	0.7
263.09183	0.9
275.09415	1.4
275.12997	5.0
290.11630	0.4
291.12430	0.5
301.10822	0.9
302.11835	0.5
349.10092	0.3
417.15683	1.9
417.19763	13.6
418.15634	0.7
418.20355	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	417.1558
Annotation	Jamaicolide A
Peak:m/z	Relative Intensity
53.96211	0.7
55.01886	0.7
57.03436	1.1
59.01394	3.9
64.43291	0.6
64.76790	0.6
68.96606	4.1
68.97011	1.3
68.99833	0.8
69.03439	0.8
75.00883	1.2
78.72929	0.6
83.01399	5.8
85.02958	7.1
85.06596	1.1
85.59239	0.6
87.04517	1.5
95.05032	3.9
109.02971	1.0
109.06561	1.5
111.00892	27.9
111.04532	39.0
111.08168	0.8
112.04898	0.7
113.02458	1.6
113.06078	2.6
113.09743	9.6
121.06606	1.0
123.04599	0.8
123.08144	0.8
125.06071	1.4
125.60812	0.6
137.02449	0.8
137.06036	1.2
139.07645	1.0
151.07672	1.4
151.31978	0.6
152.04774	1.6
155.07172	2.6
163.03972	0.8
165.01924	2.4
165.05594	4.3
165.09157	0.8
166.06329	0.9
167.07233	1.2
175.04239	0.6
179.07167	2.9
180.04372	0.9
181.05247	5.1
181.08722	70.2
181.96632	0.6
182.09120	3.7
183.06638	38.8
184.06967	2.2
189.75349	0.6
190.06316	0.9
191.07111	3.7
193.05081	1.8
195.06641	0.8
197.08131	3.9
203.07155	0.9
205.05084	1.5
205.08713	2.4
207.06639	0.9
207.10245	8.3
209.08228	2.1
219.06639	8.5
219.10095	1.1
220.07019	0.7
221.08226	1.5
223.09799	0.8
223.20665	0.9
231.06702	5.6
231.10286	1.5
233.08229	2.6
235.06088	1.9
235.09818	0.9
235.13716	0.7
237.11263	0.9
243.10268	1.0
245.08101	1.5
246.09009	8.4
247.06128	3.1
248.06841	1.8
253.99870	0.7
259.09756	1.2
261.07672	1.1
261.11349	4.6
262.08551	1.1
269.08170	0.8
275.05716	2.3
277.10849	6.7
278.11334	0.9
285.20801	0.7
287.09460	0.9
287.12936	1.2
297.11484	1.5
302.11288	0.8
303.08856	1.4
303.12265	1.0
305.10336	69.8
306.10757	5.1
313.07178	2.0
315.12512	0.7
325.11053	3.1
330.10989	0.8
331.11899	1.9
340.13171	19.6
341.10141	1.0
341.13687	2.4
355.15509	24.3
356.15854	2.5
357.13504	3.3
359.11331	1.0
371.14948	1.3
373.16510	4.2
373.20444	0.7
374.13535	1.0
399.14505	32.9
400.14810	4.3
417.15555	100.0
417.30328	2.2
418.15793	12.4
435.37180	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1557
Annotation	Comazaphilone F
Peak:m/z	Relative Intensity
51.87355	0.7
59.01377	1.1
61.98831	0.8
65.00336	1.0
67.01877	1.7
68.99825	1.9
69.03459	1.6
69.13282	2.6
69.13690	2.8
70.09978	0.9
70.49036	0.8
71.01378	1.6
72.99304	0.7
79.01897	1.1
81.03475	0.9
83.01396	7.3
83.26667	0.9
84.78355	0.6
95.01393	4.2
97.02948	2.0
99.00886	1.6
103.92048	1.9
109.02950	1.6
110.00090	1.4
111.00178	1.3
111.00887	13.9
112.98822	3.7
122.89360	0.7
123.00015	1.6
123.00896	28.8
124.01713	6.7
125.02483	5.7
125.99606	1.4
126.99480	1.4
127.00379	12.8
127.01249	1.4
129.37952	0.7
135.04567	5.8
136.01671	1.1
136.98820	11.1
137.02438	5.5
137.99553	2.4
138.03244	18.5
139.00380	49.6
139.04012	5.6
140.01012	1.6
141.01930	2.3
149.02440	0.8
151.00279	1.7
151.03989	1.3
152.01173	1.9
153.01961	10.0
153.05602	11.0
153.99126	0.9
154.02747	6.8
154.99873	1.9
161.06084	1.5
163.04060	0.9
163.07663	0.8
165.05516	1.1
166.02707	1.3
175.63950	0.8
177.05504	1.2
178.02730	2.1
179.03534	5.3
181.01524	0.8
189.05565	5.1
191.03488	3.1
192.04240	2.8
193.05045	4.6
194.05785	0.9
199.22612	0.7
204.07919	2.4
205.05095	6.5
206.05832	6.5
207.06613	7.1
219.10246	1.3
220.07420	3.5
221.08211	6.7
233.04555	2.5
234.05179	1.4
235.09801	2.4
247.06123	2.2
248.06868	0.9
263.09274	3.4
373.13052	0.9
387.10956	4.6
401.12430	1.0
402.13208	24.5
403.13535	2.0
417.15546	100.0
418.15924	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.9
57.03449	3.3
58.00596	1.6
59.01089	1.7
59.01384	26.0
67.01905	1.2
70.55915	0.9
70.56252	1.4
71.01388	30.7
72.99306	1.3
73.02950	12.5
75.00877	1.3
80.03778	0.8
83.01398	9.0
85.02956	17.0
86.00105	1.2
87.00890	3.0
89.02448	8.0
93.03473	7.8
95.01413	3.7
99.00893	3.9
101.02449	24.4
103.04052	1.4
107.01410	1.6
108.02203	1.3
109.02990	5.8
111.00910	1.5
113.02476	10.5
119.03533	2.8
119.05025	1.3
120.99687	1.2
121.02969	24.5
123.00915	7.5
124.01665	3.2
125.02459	12.1
127.00304	0.9
133.05106	3.9
135.04575	2.0
135.06676	1.4
137.02454	18.0
137.43088	0.9
139.00406	3.2
140.01225	1.3
140.98270	0.9
141.01991	1.6
149.04611	3.4
149.99593	2.3
151.00342	4.5
153.01958	2.3
159.03009	2.1
161.04578	9.7
163.04060	3.1
164.04820	9.3
165.83490	0.9
166.06363	100.0
167.03477	1.1
167.06758	5.3
168.00510	6.6
169.01385	8.7
179.03510	1.9
179.07118	4.6
181.08716	96.6
182.09065	4.7
191.05644	1.3
197.08293	1.4
201.53964	0.9
235.08302	2.2
239.05602	1.5
281.06418	1.0
295.08279	1.7
343.13986	90.1
344.14349	6.9
354.34348	1.0
393.47458	0.9
417.14160	51.9
418.14456	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35324	1.0
55.01863	1.8
57.03426	0.9
58.00589	3.4
59.01382	100.0
60.01702	1.2
70.64127	2.3
71.01387	57.9
72.99306	4.1
73.02942	3.5
80.27391	0.9
81.40598	1.2
83.01389	3.2
83.89253	0.9
85.02961	12.0
87.00864	4.1
89.02451	72.0
90.02767	1.6
93.03487	4.8
95.01390	4.6
99.00865	1.5
101.02449	37.0
107.01378	1.3
108.02192	1.9
109.02994	2.0
111.00886	1.3
113.02453	22.4
119.03513	29.0
120.99673	1.2
123.00888	7.5
123.04571	1.5
124.01651	4.3
125.02460	11.2
131.03490	2.4
137.02455	14.5
138.03130	1.0
139.00352	3.0
139.04001	3.2
140.01158	2.5
143.03516	3.9
149.04562	2.9
151.00339	3.5
152.01160	2.3
153.01863	1.7
155.03566	1.5
161.04523	5.1
163.04053	1.0
167.03494	2.2
168.00639	3.8
169.01445	11.9
169.05132	1.5
179.03482	2.5
179.05702	6.8
179.07066	1.7
181.05057	1.5
181.08543	1.1
192.13028	0.9
194.09441	3.0
199.67474	1.1
200.18668	0.9
211.02455	10.0
222.08902	2.3
237.11356	12.1
239.05713	1.0
265.09369	1.3
271.04651	14.0
331.06659	1.5
417.09656	6.7
417.14359	24.4
417.17709	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63588	0.4
53.57563	0.4
55.01873	1.5
57.03446	0.9
59.01385	6.6
69.59956	0.7
69.60366	1.1
69.77697	0.4
69.95227	0.4
71.01383	13.1
73.02951	5.2
83.01388	1.6
83.10370	0.4
85.02962	4.3
87.00916	0.7
87.40479	0.4
89.02439	2.8
93.03471	2.9
93.22911	0.4
95.01398	1.2
97.02981	0.6
98.22498	0.7
99.00894	1.4
101.02443	6.6
103.04031	1.1
107.01460	0.4
109.02959	0.6
111.27715	0.4
113.02445	5.5
119.03506	1.6
121.02959	24.9
122.03262	0.6
123.00881	1.2
125.02451	1.8
133.05080	3.2
135.04524	1.8
137.02464	5.1
151.00360	1.0
151.04039	0.5
153.01970	0.5
157.05151	0.4
157.72125	0.5
159.03041	1.2
161.04567	6.4
164.04814	1.2
166.06358	100.0
167.06703	4.6
168.00679	0.8
169.01453	1.5
179.03404	0.6
179.07112	0.5
181.08714	85.4
182.09050	4.2
197.08134	0.5
208.41217	0.5
235.08258	2.9
417.09003	0.7
417.14087	10.9
418.14401	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.8
57.03440	1.1
59.01383	23.8
61.98841	1.1
66.22980	0.6
67.01895	0.7
69.03454	1.0
69.10333	2.2
69.10748	2.8
71.01382	12.0
72.99290	1.7
73.02928	2.7
74.80970	0.7
79.01905	1.2
83.01404	2.0
85.02962	4.8
87.00853	0.9
89.02450	8.0
93.03471	1.5
95.01389	2.4
97.02963	0.9
98.21838	1.5
99.00912	0.9
101.02455	8.7
107.01392	4.1
107.45561	0.7
109.02973	1.1
110.00076	0.7
111.00890	3.0
113.02464	6.3
115.44204	0.6
119.03493	3.5
120.99674	0.9
123.00896	16.4
123.04536	1.0
124.01701	1.0
125.02457	17.7
127.00410	1.3
128.12917	0.9
136.98759	1.3
137.02475	3.8
139.00401	5.8
140.01208	5.0
141.01920	2.1
143.03526	0.8
151.00374	12.4
151.04008	0.9
152.04753	0.6
155.03497	0.8
161.04581	4.5
168.00661	3.8
169.00012	1.1
169.01447	19.5
170.01831	1.0
177.09201	1.5
179.05690	1.3
181.05106	1.4
209.04704	0.6
211.02438	1.1
223.48637	0.7
256.16321	0.7
271.04529	1.3
313.05499	0.9
354.87958	0.6
357.15509	5.1
417.14038	100.0
418.14310	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.0
57.03450	53.9
57.41322	1.3
58.00595	1.5
59.01384	63.4
69.27103	6.9
71.01387	46.9
72.94955	1.0
72.99300	1.8
73.02949	27.9
75.00858	1.0
80.54894	1.1
81.03464	2.1
83.01386	8.1
85.02953	16.6
87.00870	1.7
87.04487	1.5
89.02454	15.6
95.01393	4.2
99.00878	3.2
99.04527	30.4
101.02450	39.2
109.02964	1.3
109.06651	1.6
111.00873	1.2
113.02467	16.7
113.06084	3.2
119.03538	5.4
123.04535	8.9
125.02452	12.0
131.03535	1.8
141.05562	2.8
141.48602	0.9
143.03516	2.2
149.04558	1.4
153.05582	2.4
153.91959	1.2
159.03000	1.5
161.04622	6.5
169.01384	2.7
169.59291	1.0
181.12300	6.2
185.10086	1.2
195.06519	1.4
227.12880	1.0
237.14894	2.2
255.16046	3.4
266.06058	1.9
283.15295	1.6
301.16531	6.3
342.06522	1.7
357.26434	1.2
417.21252	100.0
418.21619	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	417.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70571	0.6
53.33882	0.6
59.01378	0.9
69.15944	1.5
69.16348	3.1
71.05036	0.9
77.58523	0.5
79.01897	1.0
81.03469	0.9
83.01366	1.0
95.05037	4.4
97.02950	1.4
122.03738	1.0
137.06093	24.3
138.06433	0.7
139.04027	7.8
162.33650	0.6
163.04141	0.6
163.56935	0.5
165.01935	2.2
166.91479	0.6
172.33095	0.6
181.05078	100.0
182.05392	4.5
184.52071	0.5
193.08575	0.7
209.08197	1.4
235.09792	4.5
263.13052	0.8
276.52188	0.9
417.19183	18.8
417.29892	3.9
418.19589	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	417.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.4
60.16676	0.3
69.75645	1.4
69.76055	0.7
71.05003	0.5
79.01901	1.2
81.03466	1.1
83.01394	1.0
95.05033	4.3
97.02962	1.5
102.85751	0.4
119.04955	0.4
121.02959	1.3
122.03734	1.2
137.06099	22.9
138.06403	1.0
139.04021	7.0
165.01936	1.6
181.05077	100.0
182.05388	5.1
193.08641	0.6
209.08220	2.7
221.08199	0.6
235.09758	5.6
249.07719	0.8
263.12961	0.8
417.19247	20.9
418.19427	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	417.1921
Annotation	Rhaphidecursinol A
Peak:m/z	Relative Intensity
50.01196	0.8
50.13815	0.8
51.44745	0.7
57.03434	0.8
59.01400	1.1
69.49055	5.0
83.05021	1.4
85.06602	1.7
85.70238	1.0
87.04521	2.1
111.04529	5.1
113.09767	1.5
122.03755	1.3
137.06087	5.4
181.05078	1.7
181.08717	2.6
201.09178	0.9
203.07179	4.7
204.07884	1.2
209.08279	1.9
218.09457	1.2
229.04967	1.0
231.10255	9.5
232.10837	1.3
245.08218	1.2
246.12636	5.0
259.09894	0.9
261.14999	12.7
262.15338	1.7
271.09824	1.5
271.13428	4.6
272.10529	1.6
287.12943	2.1
300.10126	2.4
315.08801	4.4
315.12375	41.6
316.12735	3.1
329.10352	1.5
330.14868	9.3
331.15070	1.6
355.15396	1.6
372.47192	1.0
373.20221	100.0
374.20599	12.4
399.14429	3.1
400.15198	1.2
416.32410	1.6
417.14899	4.1
417.32928	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1931
Annotation	Gomisin H
Peak:m/z	Relative Intensity
55.01878	0.7
60.97445	0.3
62.61975	0.3
68.99877	0.4
69.40839	1.8
79.01892	0.5
83.78965	0.4
85.06599	0.8
87.04507	1.2
89.02444	1.6
91.93090	0.4
95.05038	0.5
97.02896	0.4
103.35357	0.4
109.02982	0.4
109.06557	0.5
111.04520	5.2
113.06121	0.5
115.07655	0.6
118.04282	0.6
120.39552	0.3
120.40543	0.4
123.08160	2.1
123.16081	0.4
130.85019	0.4
137.02466	0.5
137.06067	1.0
139.04048	0.8
145.06638	0.5
151.07645	1.1
157.29578	0.4
158.44545	0.4
159.08174	1.4
160.60939	0.4
161.06169	0.6
161.09734	1.5
162.03233	0.4
163.07664	0.6
165.09166	2.3
167.07167	0.6
175.04068	0.7
177.01973	0.6
177.05513	0.4
177.09193	0.4
179.07127	1.6
181.05061	1.2
181.08688	0.8
183.06650	1.4
187.07631	3.4
188.04749	0.6
188.08337	0.5
189.05573	3.4
190.06282	0.8
191.07126	0.7
193.08679	1.4
195.06651	2.0
203.07187	1.4
204.07872	2.7
205.05017	0.5
205.08696	16.5
206.09109	1.4
207.06601	0.4
209.08208	7.7
217.08609	0.7
217.12355	0.6
219.06541	0.8
221.08125	1.8
227.07118	0.5
229.05032	0.5
231.06619	4.2
231.10188	0.8
231.13815	0.5
232.07390	2.3
233.08185	1.6
246.05351	1.3
247.06090	0.8
247.09741	1.7
247.13322	1.6
248.06944	7.4
249.07556	1.8
249.11497	0.7
255.10139	0.5
257.11841	7.4
258.12094	0.8
259.06131	0.8
259.09811	1.9
260.10217	0.6
261.07678	5.6
261.11337	2.2
262.08057	0.8
263.12881	3.2
273.11346	1.4
274.12015	0.7
275.09317	8.5
275.12900	38.6
276.06519	3.2
276.09348	0.7
276.10287	0.7
276.13156	3.9
283.09702	0.8
287.12863	0.5
289.10724	0.8
290.11685	3.2
291.12305	2.5
301.10831	6.9
302.11499	2.8
303.12311	2.5
318.11188	0.5
329.13824	0.8
334.10727	1.3
345.17062	1.8
373.16544	0.6
374.13638	1.6
392.70129	0.4
417.19202	100.0
418.19553	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	417.1934
Annotation	Gomisin H
Peak:m/z	Relative Intensity
71.28492	1.5
85.06573	0.9
87.04523	2.2
89.02489	1.2
109.03008	1.0
111.04535	6.7
113.06082	0.9
123.08190	1.7
130.30424	0.9
137.06085	1.0
139.03925	1.0
153.05522	0.9
165.09215	2.1
179.07124	3.4
181.05069	2.5
187.07677	2.0
189.05501	1.8
203.07071	1.5
203.60202	1.0
205.08711	8.4
207.06593	3.6
209.08232	7.1
219.06546	1.6
221.08177	4.1
227.07123	1.2
231.06645	7.1
232.07024	0.9
233.08101	2.0
246.05309	1.1
247.13333	1.0
248.06885	7.2
249.07362	1.5
257.11823	11.8
258.12134	0.9
259.05872	1.4
259.09766	1.6
261.07666	9.9
261.11258	2.3
263.09180	1.2
263.12866	2.9
275.09280	4.8
275.12891	30.1
276.06396	2.8
276.13260	3.3
290.11554	2.2
291.12369	2.6
301.10770	6.0
302.11505	3.2
303.12366	2.8
319.11914	1.3
329.17673	1.5
334.10806	1.9
345.17136	1.6
358.12778	1.7
359.12906	4.5
374.13702	5.8
417.19199	100.0
418.19547	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	417.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.6
57.03452	41.4
58.00584	1.9
59.01384	53.3
71.01389	38.5
72.83712	1.2
72.99310	2.8
73.02578	2.0
73.02952	25.1
79.05556	1.1
81.03516	1.3
83.01401	7.4
85.02957	13.4
87.00874	2.0
89.02446	16.1
90.02760	1.2
93.79332	1.2
95.01398	3.2
99.00868	2.4
99.03923	2.3
99.04525	21.7
101.02450	33.7
113.02483	12.7
116.90884	1.2
119.03533	2.6
121.97359	1.6
123.04536	8.4
125.02469	10.3
143.03491	1.4
159.03024	1.3
160.63914	1.2
161.04594	6.4
169.01427	3.2
169.91599	1.2
178.24400	1.3
179.05553	1.6
179.07117	1.4
181.12320	5.1
186.17412	1.1
193.08649	2.4
195.06635	1.9
225.11346	2.8
237.14944	2.9
255.15900	2.9
266.06006	2.4
310.19702	1.2
415.22269	1.5
417.16284	5.4
417.21274	100.0
418.21634	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	5.7
59.01379	4.3
61.98825	0.9
69.03451	2.1
69.72043	1.2
69.72383	3.2
71.01366	1.0
83.05035	13.7
96.96012	3.1
97.06605	9.9
98.22440	1.1
98.95597	3.7
109.06607	4.0
111.08168	100.0
112.08505	3.7
119.54115	0.9
123.08172	5.7
125.09735	96.9
126.10069	3.8
126.81454	0.8
129.09219	2.5
143.10794	1.6
151.00388	3.3
155.07150	1.4
161.80417	0.8
166.02684	7.4
169.08759	4.0
173.08195	89.2
174.08530	2.8
181.05074	8.7
187.09769	81.3
188.10110	3.1
229.10762	2.0
232.81047	0.9
247.11862	19.0
248.12224	0.9
261.13446	15.8
262.13947	0.9
350.53189	0.9
417.21347	86.9
418.21664	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	417.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41777	2.0
57.03458	10.2
59.01373	8.7
63.91820	1.9
69.35559	9.4
71.01350	2.6
82.58974	2.1
83.05022	16.0
86.56050	2.1
97.06581	14.2
109.06581	4.7
111.08168	100.0
112.08549	3.1
121.02955	4.6
123.08147	6.1
124.77271	2.0
125.09732	93.8
126.10012	3.7
129.09190	5.8
173.08195	83.7
173.09705	4.0
174.08434	2.4
187.09772	82.1
188.10100	2.7
235.43935	2.0
247.11867	27.2
261.13474	21.3
274.84625	2.1
309.50101	2.0
417.21295	84.7
417.25650	3.7
418.21655	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	417.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.3
59.01375	4.7
59.91833	1.5
69.03512	2.2
69.07202	7.1
69.07626	7.7
71.01389	2.4
97.73331	1.5
101.02446	1.7
108.02238	1.6
111.08183	1.6
125.09738	4.2
135.53920	1.5
139.11267	1.5
151.04152	2.2
171.10367	3.0
222.39996	1.6
247.20724	11.8
265.21704	10.0
286.37061	1.8
291.19604	5.0
299.22336	2.5
309.20755	12.0
310.21277	1.7
310.33783	1.6
325.20197	5.6
327.21780	17.7
328.22537	2.6
341.57736	1.7
343.21222	4.0
345.22830	100.0
346.23050	8.7
417.25482	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	417.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03167	0.4
57.03456	1.0
64.41035	0.4
69.11506	3.1
69.11906	0.7
81.70650	0.3
87.04530	0.4
96.03537	0.4
98.22483	0.8
113.09739	15.5
114.10077	0.7
123.08176	2.0
166.06367	1.7
167.07175	2.6
181.08720	100.0
182.09068	5.3
360.16751	0.4
417.23105	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34717	0.3
55.01883	6.2
55.02138	0.5
57.03455	6.3
58.00603	2.4
59.01383	53.1
69.03458	1.0
71.01387	100.0
71.29575	0.6
72.01727	1.2
72.99305	3.6
73.02952	27.3
75.00883	1.8
81.03445	0.5
83.01395	11.4
84.02177	0.7
85.02957	42.3
86.03293	0.7
87.00884	4.4
87.04519	3.4
89.02451	30.8
95.01397	8.8
97.02947	2.0
99.00893	13.8
101.02451	58.0
102.02814	1.1
111.00877	1.8
113.02461	41.3
114.02788	1.3
119.02673	0.8
119.03511	12.4
125.02450	2.2
129.01917	1.8
131.03513	1.7
143.03505	4.7
144.38655	0.4
145.00720	0.4
149.04567	0.8
150.58020	0.4
151.07587	0.6
159.02998	8.9
161.04568	42.8
162.04900	1.7
175.11282	2.2
179.05641	1.9
179.14394	0.4
181.12302	0.4
183.10260	0.4
193.08701	2.2
205.03491	0.9
255.15851	0.4
255.19640	1.9
297.20609	0.9
321.20535	0.4
329.19635	0.4
368.68311	0.4
417.13000	0.7
417.14954	0.7
417.20572	7.9
417.24765	16.3
418.20514	0.6
418.25067	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	6.0
57.03445	4.4
58.00606	2.4
59.01384	65.9
60.01710	1.5
60.70626	1.1
67.69044	0.9
71.01388	100.0
72.01740	1.2
72.99303	2.4
73.02950	25.7
75.00889	1.6
78.46246	1.0
83.01399	8.4
84.02190	1.3
85.02960	40.9
87.00885	4.3
87.04522	2.6
89.02455	40.6
95.01381	9.3
97.02933	2.7
99.00900	11.4
101.02453	65.8
102.02803	1.7
113.02459	46.8
119.03517	15.7
125.02499	2.4
129.01907	2.0
131.03503	2.1
143.03485	6.7
154.19949	1.2
158.19646	1.1
159.02980	9.5
159.04132	1.5
161.04567	47.6
162.04968	1.5
179.05621	4.4
188.83467	1.1
255.19649	2.7
332.61667	1.1
417.24930	34.2
418.25339	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50700	0.9
51.24004	1.0
55.01871	3.4
57.03455	1.8
58.00583	4.0
59.01382	100.0
65.28536	1.0
69.20786	0.9
71.01387	77.2
72.01715	1.1
72.99289	3.2
73.02955	9.4
75.00841	1.0
75.24318	0.9
79.87376	0.8
82.34086	1.0
83.01401	4.8
85.02959	19.8
85.87173	0.9
87.00875	3.7
87.04523	1.8
89.02451	69.7
95.01404	4.1
99.00897	3.3
101.02453	41.7
102.02776	1.2
103.04401	1.0
108.32375	1.1
113.02460	31.4
114.02784	1.3
119.03508	33.0
126.20053	0.8
131.03499	3.4
137.09703	1.4
143.03519	5.3
145.38678	0.9
149.04553	2.9
157.59778	1.1
159.03006	2.2
159.10306	1.2
161.04568	17.2
162.28975	1.0
179.05661	10.3
179.56230	1.2
185.48201	0.9
228.83168	1.1
255.19601	10.3
313.70282	1.0
417.24948	41.7
418.25244	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	417.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50920	1.2
55.01873	4.0
57.03447	3.7
57.87781	1.1
58.00586	3.4
59.01384	100.0
71.01388	84.5
72.01721	1.5
72.81314	1.2
72.99312	5.0
73.02564	1.8
73.02956	13.5
83.01384	6.3
85.02963	28.4
87.00886	4.2
87.04518	1.8
89.02451	66.6
95.01399	5.8
98.21737	2.7
99.00889	5.7
101.02448	60.5
113.02467	33.4
113.03223	0.7
114.02831	1.5
119.03513	33.3
125.02493	1.6
131.03497	4.1
137.09685	1.3
143.03528	5.9
149.04573	2.9
159.03018	4.6
161.04584	24.7
179.05637	10.7
196.48291	1.4
255.19621	9.7
374.36838	1.2
417.24969	54.1
418.25421	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	417.265
Annotation	Juruenolide F
Peak:m/z	Relative Intensity
56.63727	0.5
79.01894	1.2
80.46386	0.5
98.21742	1.4
111.04538	3.7
147.08174	1.7
151.11118	0.5
153.12874	3.8
181.05008	1.3
181.08778	0.9
191.07133	2.5
197.11792	0.8
205.05055	2.3
218.05821	1.0
219.14087	0.6
220.03738	2.0
220.07379	4.0
221.11861	5.5
233.08192	58.1
234.08562	3.6
235.06125	29.6
236.06554	1.8
248.10541	100.0
249.10898	8.4
263.05618	2.3
263.12894	34.4
264.13171	3.2
288.47684	0.7
297.24417	0.7
417.19360	8.2
417.26465	70.7
418.19125	1.2
418.26816	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	417.2649
Annotation	Juruenolide F
Peak:m/z	Relative Intensity
53.92988	0.3
68.78510	0.3
69.15841	2.2
107.49717	0.3
111.04509	1.8
130.61264	0.3
145.59338	0.4
147.08145	0.7
149.06239	0.4
151.11238	0.8
153.12863	1.8
153.79926	0.3
172.56612	0.4
177.12859	0.7
179.07129	0.6
181.05060	0.5
182.35544	0.3
189.09239	0.4
191.07132	0.9
197.11792	0.6
205.05081	2.0
206.09438	0.9
209.08203	0.5
218.05988	0.7
219.13840	0.6
220.03787	1.2
220.07358	4.3
221.07916	0.4
221.11838	10.6
222.12056	0.8
226.99074	0.4
233.08186	49.9
234.08508	3.2
235.06120	16.8
236.06493	0.9
248.10538	100.0
249.10876	7.0
249.13330	0.7
255.04214	0.3
263.05521	1.1
263.12885	29.8
264.13275	2.6
297.24301	1.5
403.11243	0.5
417.19550	4.3
417.26456	80.3
418.26834	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	417.2651
Annotation	Juruenolide F
Peak:m/z	Relative Intensity
66.22527	0.5
69.59448	0.9
69.59851	1.6
72.59978	0.5
79.67459	0.5
88.06327	0.6
117.03479	17.5
118.03848	0.5
119.05036	6.6
121.02990	1.3
125.25522	0.5
145.02968	100.0
146.03326	4.3
163.04015	4.7
164.04271	0.5
208.84456	0.5
225.22295	0.6
271.22769	9.4
276.77637	0.5
279.48044	0.5
331.26324	0.6
392.54721	0.5
399.25366	1.1
417.26471	24.8
418.26791	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	417.3012
Annotation	Maesaquinone
Peak:m/z	Relative Intensity
56.66790	1.0
57.03437	3.5
57.47538	1.0
59.01387	22.4
69.24931	8.2
71.01385	5.2
73.90577	1.0
85.06557	1.0
87.47147	1.1
89.44637	0.9
98.22492	2.4
100.47650	1.2
101.99529	1.0
102.67106	1.0
119.13361	1.0
227.09381	1.1
258.11053	1.2
314.86511	1.1
343.26538	1.2
345.28006	10.1
355.26483	2.7
357.27930	7.5
373.31461	1.2
376.30682	1.1
395.62595	1.0
417.30170	100.0
418.30545	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3012
Annotation	Maesaquinone
Peak:m/z	Relative Intensity
57.03451	4.3
57.57245	0.4
59.01384	27.1
60.52486	0.4
65.00325	0.9
66.31795	0.3
70.31937	0.8
70.32310	0.7
71.01385	5.4
85.06609	0.7
95.05064	0.4
97.02982	0.4
98.10258	0.3
99.00867	0.4
109.06602	3.5
111.00881	3.7
111.04549	4.4
113.09726	2.8
123.00881	0.5
125.09748	1.7
127.11272	0.9
127.62534	0.3
136.98810	1.2
138.03230	0.5
153.05508	0.3
155.10764	0.8
163.04034	3.7
163.11285	0.6
165.05562	0.6
173.11827	5.7
177.01913	0.8
181.05077	52.7
181.08662	15.5
182.05367	2.7
182.09029	0.6
192.07968	0.8
199.13405	1.2
201.11340	6.1
202.11693	0.4
207.06490	0.4
207.10201	0.9
208.61491	0.4
209.08243	1.0
217.08701	1.1
220.07608	0.5
225.11133	0.6
235.09747	18.9
236.10063	1.7
245.08156	0.5
246.40758	0.3
248.06935	0.4
249.07713	0.5
263.09225	1.6
264.09521	0.4
305.10385	0.5
341.24942	0.6
343.26462	0.7
345.27997	9.3
346.28290	1.3
355.26425	3.5
357.22858	3.6
357.28000	8.0
358.23636	0.5
358.28159	1.0
360.23114	0.4
373.27206	0.6
373.31174	2.4
381.22873	0.5
389.26981	1.4
399.23956	2.7
399.28647	0.6
417.15244	3.5
417.25162	6.5
417.30103	100.0
418.25455	0.9
418.30460	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	417.3014
Annotation	Maesaquinone
Peak:m/z	Relative Intensity
57.03450	4.2
57.55402	0.4
59.01387	24.8
60.01734	0.4
61.11828	0.3
66.68580	0.4
71.01387	6.5
77.85642	0.4
78.51814	0.4
85.06577	0.7
107.64206	0.3
109.02987	0.4
109.06597	2.5
111.04536	5.5
113.02425	0.4
113.09759	0.7
122.21321	0.3
123.08135	0.4
125.02447	0.5
125.06035	0.5
135.08167	1.4
137.06071	2.0
165.09261	0.6
171.02333	0.4
179.07153	9.3
179.10780	8.3
180.07454	0.6
181.05092	5.3
181.08685	3.6
183.06610	0.8
195.06602	1.3
197.08217	0.9
207.06538	0.7
209.08267	2.2
210.08389	0.4
221.08263	0.5
225.07632	1.1
235.09856	0.6
237.07661	2.6
240.95052	0.4
245.08131	0.4
247.06306	0.5
261.07544	0.6
261.14993	0.4
263.09158	0.4
286.08755	0.5
315.12418	0.9
329.13956	0.5
343.26480	0.9
345.28015	9.7
345.31912	0.4
346.28290	0.9
355.26453	3.9
356.26724	0.5
357.13458	0.7
357.27994	7.9
357.32382	0.4
358.28406	1.0
359.09393	0.5
373.16296	0.9
373.20239	3.0
373.27231	0.5
373.31094	2.2
374.11978	1.8
375.13309	0.4
389.26990	1.6
399.29047	0.8
417.14822	1.5
417.18643	2.4
417.30496	100.0
418.30823	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	417.3013
Annotation	Maesaquinone
Peak:m/z	Relative Intensity
52.05000	1.2
52.18638	1.0
56.05301	1.2
56.60456	1.1
57.79622	1.0
59.01382	57.5
60.10818	1.1
68.35322	1.0
69.01607	1.1
72.84675	1.0
118.35494	1.1
137.06058	1.6
167.03410	1.7
181.05049	4.7
193.54242	1.1
209.08250	3.2
213.87094	1.2
223.47983	1.2
224.41682	1.1
241.30580	1.2
291.24146	1.3
355.30020	2.3
417.30161	100.0
418.30545	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	419.006
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.9
63.84851	0.9
65.00339	4.7
74.99104	22.1
79.25117	0.8
79.95743	100.0
85.22131	0.8
86.67023	0.9
89.00364	1.5
91.01958	1.1
93.03469	0.9
95.01379	1.5
97.02966	5.3
98.77953	1.0
99.80921	0.9
109.02915	1.6
111.00890	1.1
117.97358	1.0
121.02955	3.9
122.03717	1.5
123.04510	3.3
124.01684	3.0
125.02422	1.5
135.10483	1.0
136.99158	23.6
137.02467	7.3
139.00391	3.1
139.04012	6.8
147.00908	1.8
149.02449	15.4
149.99609	1.8
150.03192	2.9
151.00378	4.8
151.04019	3.8
152.01173	1.9
153.05521	1.1
163.00319	1.1
165.01939	31.4
166.02335	1.3
167.03494	3.4
177.01920	1.9
178.99886	2.7
183.02985	1.3
187.03882	1.0
190.33551	1.0
193.01448	10.4
199.04065	1.3
226.02786	1.1
227.03490	2.3
233.00807	1.2
239.03398	1.3
250.96347	43.1
251.96632	2.0
252.97954	7.1
255.02971	7.3
256.03619	1.2
269.04474	1.6
271.06082	1.1
272.06757	1.3
281.17627	1.0
283.02542	9.3
297.04083	3.2
298.04846	11.7
299.05252	1.5
311.05212	4.5
315.05588	1.0
321.03812	2.0
333.00372	2.0
339.04846	3.2
359.11545	1.3
375.01358	1.1
386.97961	3.0
388.39169	1.0
391.01096	24.4
392.01303	1.2
400.99438	15.2
401.16595	1.1
419.00549	55.7
419.17490	6.7
420.00940	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	419.0985
Annotation	5,3',5'-Trihydroxy-3,6,7,8,4'-pentamethoxyflavone
Peak:m/z	Relative Intensity
58.92942	0.5
59.01374	1.7
69.15759	3.3
69.16079	0.7
71.01389	1.7
81.03447	0.6
85.02943	0.5
89.02432	0.7
93.03458	0.8
95.01420	0.5
101.02451	0.8
103.02918	0.4
108.02180	100.0
109.03011	12.6
110.03288	0.6
113.02485	0.6
119.49464	0.4
121.02982	4.6
123.04512	1.2
132.49043	0.5
133.02969	0.9
151.04019	3.0
152.01160	53.6
153.01947	19.9
155.10750	0.8
163.04018	1.9
165.01947	1.0
183.06610	0.6
185.06137	0.4
225.04126	0.5
329.56732	0.5
385.06152	0.4
419.09836	58.8
420.10184	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	419.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.2
62.77565	0.4
65.03965	0.5
69.90298	1.3
71.01380	1.8
74.99102	0.9
83.01389	0.6
85.02955	0.5
89.02452	0.5
93.03465	59.3
94.03814	1.8
95.01388	0.5
96.96021	0.9
98.21895	0.7
101.02451	1.4
111.00874	0.6
113.02423	0.7
123.00899	0.9
124.01616	0.5
125.02492	0.6
127.00325	0.6
137.02454	100.0
138.02745	3.1
139.00372	1.2
149.02437	0.4
153.01895	0.5
157.12331	0.5
161.02457	0.6
166.02744	0.9
179.03500	0.9
198.23807	0.4
201.11304	0.6
209.08049	0.6
211.06134	0.5
230.36731	0.4
248.05612	0.4
257.17606	0.4
271.67395	0.4
278.43280	0.4
281.06711	3.4
307.22501	0.4
347.24426	3.9
359.11459	0.7
389.12094	0.8
401.12491	1.5
404.14667	0.5
418.96854	0.7
419.13403	0.7
419.18130	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1199
Annotation	Maltol 6'-O-beta-D-apiofuranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01865	1.0
59.01127	0.9
59.01384	9.1
61.98839	0.9
62.54186	0.6
67.01868	1.1
70.63634	1.2
71.01388	7.6
72.99309	0.9
73.02945	2.7
79.01900	1.0
83.01382	1.8
85.02952	3.4
89.02446	2.2
95.01392	2.3
96.96039	0.7
97.02945	1.3
101.02455	4.0
105.05558	1.0
107.01386	4.2
109.02935	0.9
111.00913	1.6
113.02453	3.7
114.43388	0.6
123.00892	14.8
125.02454	18.4
127.00352	1.2
135.04480	0.8
136.98874	0.7
139.00388	5.9
140.01180	3.3
141.01901	1.6
151.00377	10.6
153.01955	0.9
161.04602	1.7
163.04027	2.4
164.04778	4.2
168.00616	2.3
169.01442	23.0
170.01752	1.1
178.06349	0.6
179.07126	7.5
211.02437	2.1
271.04630	2.4
307.13773	0.7
313.05692	2.3
419.11963	100.0
420.12378	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	419.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20057	0.5
55.01894	0.7
55.46691	0.7
57.03448	0.7
59.01387	16.5
62.58964	0.5
68.99825	0.6
69.05412	2.6
69.05830	1.6
71.01389	9.4
71.88544	0.5
72.99303	0.7
73.02952	1.0
74.99115	0.6
83.01393	1.2
85.02970	3.1
87.00890	0.5
89.02454	5.8
93.03468	43.4
94.03831	1.2
95.01407	1.8
96.99350	0.7
97.71872	0.5
101.02451	5.3
107.05026	0.5
108.02194	1.8
113.02470	3.3
119.03601	2.3
119.05028	7.8
121.02972	1.6
135.04504	0.8
136.01686	5.9
137.02460	97.6
137.06049	2.6
138.02812	3.9
151.03993	2.4
179.03510	17.2
180.03825	0.9
195.26689	0.5
198.55843	0.4
209.04536	1.9
221.04565	1.0
239.05612	9.1
250.79498	0.5
287.03595	0.5
311.21481	0.6
419.13510	100.0
420.13837	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	419.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26186	2.4
53.12738	2.1
57.03453	2.9
59.01374	5.7
59.87325	2.3
65.00340	3.5
67.61622	2.5
71.28613	5.7
81.03434	3.3
85.06601	17.8
87.04527	6.7
89.33655	2.3
99.08187	10.2
101.06094	2.9
107.05039	2.9
109.02956	6.9
109.06609	15.2
111.04539	45.1
123.04567	3.3
123.08178	4.5
124.01695	3.0
125.02460	7.7
125.06074	8.0
133.06602	3.5
135.04573	5.9
139.07693	5.8
141.09225	12.2
151.07664	24.7
153.05583	7.4
163.00426	3.3
165.09286	3.2
169.05113	4.4
177.05626	9.0
179.03564	4.3
179.07095	12.0
181.05112	6.9
181.08699	22.4
182.05553	4.4
182.09085	2.9
183.06703	27.7
190.02771	3.1
191.03506	6.5
191.07257	3.4
194.05812	5.5
195.06639	100.0
196.06885	5.3
205.05087	32.4
206.02185	4.8
206.05443	3.4
207.06630	8.1
209.08234	11.7
217.08669	4.0
219.06665	6.3
219.10246	2.6
221.04562	69.0
221.08072	3.5
222.05016	3.0
223.06117	51.3
223.09642	4.2
224.06535	3.8
232.03926	3.1
233.04568	32.5
234.05289	24.1
234.38445	2.6
235.06039	6.6
235.09773	11.5
239.05563	12.5
245.08255	6.4
247.06216	3.8
249.11380	14.7
251.05504	5.9
251.09296	5.2
259.09811	3.7
261.07739	19.8
261.11081	3.8
262.04977	3.6
262.08377	2.7
263.09271	8.1
277.10715	11.8
279.08786	10.3
285.07614	3.3
287.09320	6.0
288.09958	3.9
289.07343	5.4
289.10892	3.0
303.08698	4.2
305.10553	5.7
313.14548	3.5
315.05197	2.7
329.13919	4.7
330.07578	4.9
331.15564	21.5
357.13409	28.8
359.15335	4.0
373.12708	11.8
375.21738	9.8
383.11267	3.0
386.10529	3.6
401.12399	81.0
402.12994	8.6
419.20532	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39449	1.1
57.03434	1.7
59.01377	4.8
71.01420	1.4
71.27838	1.1
79.01899	1.1
85.02972	1.0
85.06579	1.9
87.00890	7.2
87.04519	1.5
95.01389	1.6
95.05025	1.9
99.08182	4.6
107.05027	3.3
109.02939	2.5
109.06577	2.1
111.00864	1.6
111.04527	14.4
113.06089	1.6
113.09737	2.2
120.05776	0.9
120.91803	0.9
121.02940	1.6
123.04513	3.5
125.06087	18.3
126.06400	1.4
133.02945	1.2
133.72035	1.1
135.04544	2.1
137.02513	1.2
139.07617	1.3
149.02403	1.7
150.03218	1.0
151.04028	8.1
155.07121	1.3
161.02422	1.4
163.04034	2.0
165.01807	1.1
165.09204	2.2
167.03508	3.0
167.07130	1.1
171.06589	1.4
173.31863	1.0
175.07625	2.3
177.01933	3.7
177.09129	1.6
179.03470	4.8
181.03648	1.5
181.05109	18.1
181.08685	18.0
182.05403	3.6
182.09094	1.7
183.06699	15.3
183.09035	1.0
191.07172	1.3
193.05008	0.9
193.08670	4.7
195.03004	9.1
195.06560	1.3
203.07130	5.3
204.00464	1.2
204.04279	1.2
205.01447	3.6
205.04845	1.1
205.08670	2.9
206.02234	1.3
207.06596	4.5
207.10336	1.8
209.04590	17.3
209.08090	6.6
210.04958	1.4
217.08777	1.7
219.06635	9.9
219.10144	2.0
221.08215	16.1
222.08549	1.4
223.09827	2.8
225.11398	1.4
230.05765	1.6
231.06671	2.9
233.08189	2.6
235.06161	5.5
235.09776	7.5
236.10231	1.6
237.07729	3.3
237.10214	1.1
238.90961	1.0
245.08200	4.1
247.06125	10.2
248.06905	8.9
249.07695	100.0
250.07924	5.2
257.07840	1.0
259.09503	1.0
261.07776	3.1
262.08408	2.4
263.09262	35.9
264.09509	2.1
265.07172	2.9
273.02463	0.9
273.07669	5.1
275.05545	2.9
279.08707	1.5
285.07523	1.2
289.07214	1.2
293.06628	7.8
301.07178	1.7
307.08154	3.1
321.49576	1.0
329.13855	2.2
331.15515	2.1
344.07922	1.2
347.15219	4.5
357.13464	16.2
357.27850	1.7
358.13550	1.4
375.14432	8.2
375.28903	2.7
401.12244	7.7
402.12756	1.6
418.30435	3.6
419.13196	29.5
419.30688	3.3
420.13754	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.9
57.03441	0.7
58.00579	0.7
59.01378	8.2
59.24020	0.5
59.56457	0.6
68.99815	1.2
69.03445	0.6
69.26482	1.3
69.26892	2.7
71.00982	0.6
71.01385	12.5
73.02958	5.0
74.99062	0.5
81.03461	1.0
83.01382	2.1
85.02957	5.4
87.00893	1.7
89.02438	2.2
93.03463	32.7
94.03781	0.9
95.01385	3.2
95.05009	0.6
96.99331	1.9
98.21798	1.1
99.00890	1.8
101.02454	10.4
103.04047	1.1
106.04232	4.1
107.05054	2.0
108.02190	3.1
111.00895	1.1
112.02318	0.5
113.02457	5.3
113.25572	0.5
119.05034	7.3
121.02980	2.9
123.00851	1.2
123.04553	1.1
125.02448	1.5
135.04538	1.7
136.01689	3.3
137.02458	64.2
137.06090	100.0
138.02812	2.2
138.06433	3.5
139.00435	0.8
143.03543	1.0
147.04503	1.4
149.02438	0.9
151.00368	0.8
151.04018	1.4
161.04611	1.1
161.06081	0.6
163.06125	1.1
166.02670	1.4
167.03561	0.8
173.06932	0.5
177.05563	0.9
181.05121	1.1
181.32938	0.6
191.03522	1.5
199.09799	0.5
221.04594	1.5
241.05069	1.4
257.08231	2.1
257.47433	0.7
281.06683	75.1
282.07065	4.3
329.15051	1.6
359.41739	0.6
419.13495	52.7
419.17923	2.2
420.13788	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	419.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69558	8.0
53.66167	6.6
59.00181	6.6
59.01384	100.0
61.61184	8.4
65.22862	7.6
65.68433	6.5
66.49369	7.1
69.52953	6.1
69.53551	38.4
70.45361	6.3
71.01380	54.1
78.39442	6.7
83.01391	8.3
85.02973	15.3
89.02470	71.8
98.22559	7.7
101.02449	37.9
109.02925	8.2
109.54008	7.4
111.00850	7.7
113.02488	24.5
119.03481	34.9
146.03735	15.3
161.04625	9.4
161.05937	8.3
164.04884	11.1
169.48116	7.2
169.93283	7.3
179.05788	10.2
179.07127	47.1
197.08240	11.0
268.64081	6.8
303.77658	8.4
359.13257	13.5
419.11258	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	419.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76686	3.2
59.01374	24.5
69.99992	4.0
70.32452	6.7
71.01379	15.2
73.02930	4.2
83.01508	3.2
85.02969	5.8
87.00847	7.5
88.28962	3.6
88.83482	3.5
89.02443	8.1
95.01424	3.8
96.96049	3.7
98.22432	3.6
101.02433	10.3
113.02457	5.4
121.02988	4.6
123.00901	17.2
125.02469	18.5
139.00352	6.6
151.00342	8.4
163.04010	9.5
164.04790	28.4
168.00569	3.8
169.01445	31.5
178.06406	3.9
179.07144	51.9
180.07477	3.6
318.35437	3.5
325.44510	3.7
377.89841	3.5
419.11932	100.0
420.12155	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	419.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28757	7.5
59.01393	37.2
66.46511	7.7
69.48494	41.1
71.01377	25.5
85.02945	8.2
87.00829	11.5
89.02447	15.3
101.02471	11.5
113.02449	12.5
120.99630	9.6
122.00623	6.9
125.02483	10.6
145.68202	8.1
155.85683	7.6
162.12314	7.6
163.04001	30.3
164.04770	58.3
179.07153	100.0
297.87982	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	419.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	42.9
71.01385	22.9
72.99303	3.4
73.02937	2.4
85.02953	4.0
87.00904	3.1
88.98819	8.0
89.02457	22.0
96.13613	1.6
98.21754	5.6
98.32127	2.3
99.04551	3.6
101.02455	14.6
107.08680	6.4
109.02960	1.9
113.02452	8.9
119.03502	8.6
120.99688	2.4
124.35631	1.8
125.02453	2.6
133.10239	44.0
134.10622	1.9
146.91257	1.9
151.11357	5.7
177.02008	1.8
177.09230	100.0
178.09610	4.8
179.05659	4.0
189.05681	1.6
195.10312	17.4
196.10522	1.7
221.08206	27.7
229.20537	2.0
239.09254	22.0
359.07874	4.1
401.14444	29.7
402.15039	4.0
419.15402	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	419.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00585	1.6
59.01387	49.1
69.13660	11.3
71.01389	26.6
72.99310	1.6
73.02975	2.7
79.95706	1.5
82.52518	1.6
83.01381	2.8
83.05035	2.3
85.02946	3.8
89.02454	27.8
89.02967	2.3
95.01400	2.3
99.04546	3.1
101.02458	12.4
106.62906	1.6
107.08671	5.3
113.02478	6.3
119.03493	10.9
121.10217	1.6
133.10251	46.6
134.10583	2.7
151.11316	5.1
164.56963	1.7
167.06804	1.4
177.09222	100.0
178.09543	5.0
179.05669	1.5
195.10301	18.7
200.08502	1.5
221.08189	28.4
222.08534	2.4
239.09276	16.0
341.30707	1.6
360.77988	1.7
399.08459	1.8
401.14471	27.2
402.15021	2.5
419.15585	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	419.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12106	1.6
59.01374	1.7
69.72222	6.2
82.00593	2.4
85.69756	1.6
88.11079	1.6
93.03487	1.6
97.02975	6.0
99.62858	1.6
100.56799	1.5
109.02975	6.3
110.00114	6.1
112.98848	2.9
121.03037	2.4
123.00889	2.9
125.02462	5.3
125.99606	7.8
137.02458	48.2
137.99605	8.2
142.34390	1.5
149.02470	9.0
153.01949	81.2
153.99103	5.8
154.02283	3.7
155.03586	2.6
164.04817	3.5
165.05606	2.1
168.04289	100.0
169.01556	2.4
169.04691	3.5
175.04050	1.8
177.01944	43.5
178.02736	18.7
181.05095	15.2
192.04288	46.6
193.04970	7.2
196.07413	42.0
207.06633	73.4
208.06931	3.5
211.09775	35.4
212.10339	1.9
283.06387	1.7
381.13672	3.6
419.04843	2.0
419.11600	2.9
419.17059	46.8
419.26041	3.8
420.17618	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	419.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88869	0.8
54.24191	0.9
57.03440	1.6
59.01377	3.9
69.08350	3.8
69.08766	2.5
71.01391	0.9
77.46147	0.8
85.02947	2.6
85.06586	3.0
87.04518	2.1
95.01398	3.7
95.05036	1.7
98.22582	1.6
109.02934	1.5
109.06595	2.0
111.04524	8.0
113.02463	6.3
113.09735	3.4
121.02963	2.3
125.02449	1.9
125.06104	1.5
127.07658	1.1
135.08203	1.4
137.02393	0.9
137.06053	1.1
138.03200	1.1
139.07669	2.3
151.03993	1.0
155.07191	1.2
163.07617	1.9
165.01932	0.9
165.05582	3.0
165.09215	1.3
166.06375	3.3
167.07059	0.7
169.05052	1.6
177.05574	1.4
178.02495	0.7
179.07133	4.8
181.05147	1.1
181.08716	19.0
183.06625	19.9
193.08673	0.9
195.06638	8.3
197.08203	3.4
205.05032	1.2
207.06633	9.8
207.10210	1.6
208.07370	2.7
209.08206	4.7
210.05347	1.4
221.04518	4.3
221.08200	2.4
223.09767	1.2
225.07701	100.0
226.08031	7.4
237.07732	8.5
239.05809	0.9
241.13669	1.0
245.11922	0.8
263.09238	0.9
331.15613	0.9
401.12204	2.1
418.30524	3.7
419.17554	1.7
419.21179	9.6
419.31470	6.4
420.27631	0.9
437.80862	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69445	0.4
55.01859	0.6
55.92976	0.4
59.01365	0.4
64.55151	0.4
71.05007	0.8
71.27888	0.4
71.28307	0.4
79.01900	1.2
85.06596	1.7
87.04527	1.1
95.05035	3.5
97.02937	2.0
99.08131	0.4
109.06599	1.8
111.04529	2.6
113.06055	0.6
121.02969	0.8
123.04498	0.6
123.08144	2.8
137.02481	1.2
139.04021	5.8
139.07654	0.6
141.05582	1.3
141.84567	0.5
147.08180	1.0
149.25165	0.5
150.06807	0.7
151.03999	1.4
151.07758	0.5
163.07625	0.6
165.02014	0.6
165.09218	18.9
166.09595	1.4
169.08739	0.4
179.07115	3.1
181.08716	0.5
191.07143	1.5
197.08197	8.7
203.07248	0.5
209.08197	100.0
210.08568	5.6
221.08206	8.0
222.08649	0.8
246.08562	0.5
249.07475	0.5
261.07651	1.4
295.97778	0.4
363.78741	0.4
419.16959	6.9
420.17429	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29154	0.7
55.82430	0.5
69.01947	3.1
69.02377	2.6
71.12046	0.6
71.76231	0.5
76.92474	0.7
79.01907	4.4
92.77992	0.6
103.01923	0.9
104.14489	0.6
125.06093	13.3
137.06143	0.7
137.09711	1.0
139.04089	1.0
149.06128	1.2
150.03244	1.1
161.02443	1.3
161.09717	6.3
162.03136	0.9
163.04022	2.1
165.01927	1.9
167.03467	1.5
168.03734	0.7
176.53862	0.6
178.02733	0.8
181.05106	1.5
181.08731	1.0
182.05403	1.4
183.03020	2.2
190.99928	0.9
205.01440	1.3
205.08652	3.4
206.02225	11.0
207.03018	4.4
209.08139	1.8
219.03021	1.0
219.06544	1.5
220.03804	1.3
221.08289	1.3
223.09746	0.7
237.07629	0.7
249.07697	100.0
250.08031	6.9
261.07675	3.4
262.08490	1.3
289.10880	4.8
294.07544	0.8
303.12384	0.8
305.13907	0.9
306.55743	0.7
375.18176	21.3
376.18576	2.7
419.16760	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	419.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86118	0.5
57.03453	1.4
57.76543	0.4
59.01373	0.7
68.99810	0.7
69.21381	3.5
71.05015	0.7
73.02972	0.8
77.58190	0.5
79.01881	1.3
82.28118	0.5
85.02956	0.8
85.06607	2.0
87.04541	1.4
95.02036	0.5
95.05036	2.6
97.02974	1.6
99.08161	1.3
107.05046	0.7
109.06603	2.9
110.06924	0.5
111.04530	6.5
113.06094	0.7
113.09750	1.2
121.02999	1.1
123.08199	2.5
125.06083	1.3
137.02451	0.6
139.04021	6.8
139.07703	0.6
139.11295	0.8
147.08188	1.2
151.07698	0.8
155.07135	1.5
163.07692	1.1
165.01941	1.4
165.09221	18.8
167.07217	1.0
169.04987	0.6
179.07204	1.3
181.08707	4.8
183.06659	3.9
183.10313	1.1
191.07143	1.4
193.08746	1.0
195.06673	1.2
205.12462	0.7
207.06642	4.6
208.06967	0.5
209.08200	100.0
210.08522	5.0
219.13898	0.9
221.08255	1.7
223.09818	0.8
234.05290	5.1
235.06084	2.8
235.13506	1.1
237.11134	0.8
247.09850	0.5
248.06871	0.7
249.11325	6.5
250.11816	0.9
261.07675	0.7
261.11359	1.2
262.04852	0.8
263.05576	1.1
263.08347	0.5
263.12906	13.7
264.13226	1.1
265.14493	0.7
276.09967	0.8
277.10944	3.5
305.10306	4.2
331.15656	3.2
332.15753	0.5
343.94153	0.5
375.21848	1.3
381.51721	0.5
382.09833	0.5
387.14334	0.6
398.97440	0.5
419.20709	21.4
419.30225	1.1
420.21252	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	419.229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.3
59.01381	100.0
59.59380	0.8
60.01727	1.2
68.99627	2.6
69.00044	2.9
71.01389	8.9
73.02949	3.4
75.41636	0.7
83.01382	0.8
85.02962	5.2
87.00893	1.0
89.02456	2.7
90.91602	0.7
98.21745	1.4
99.00891	1.4
99.22055	0.7
101.02447	8.2
108.02181	13.1
109.02991	1.3
111.04541	1.0
113.02456	3.9
119.03517	1.3
130.63399	0.7
134.68596	0.7
135.08183	1.9
137.09712	4.4
152.01186	5.8
153.01956	2.3
155.10799	27.8
159.02971	1.0
161.04558	3.6
181.08705	1.0
183.06694	4.0
199.09760	5.7
235.06052	1.6
237.09853	0.9
263.09320	1.1
359.20813	9.3
369.03275	0.8
378.40598	0.7
419.10455	5.5
419.19183	32.2
420.19574	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	419.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75609	0.9
54.56291	1.2
55.01878	1.2
59.01382	100.0
60.01704	1.7
71.01392	15.1
71.29546	1.2
71.29944	1.1
73.02946	2.6
83.01396	2.3
85.02972	5.7
85.72491	0.9
89.02458	7.7
99.00891	2.0
101.02439	10.6
109.02990	1.9
113.02475	6.3
119.03506	2.0
125.02477	2.2
153.01970	1.6
161.04544	8.5
169.01419	2.5
212.63448	1.0
261.86594	1.0
327.88297	1.0
347.80304	1.1
359.20724	7.8
419.13449	3.6
419.22058	2.7
419.26962	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	419.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
65.68340	0.8
71.01385	17.3
71.28776	1.3
72.99318	1.6
73.02946	4.5
76.65285	1.0
83.01382	2.4
85.02943	6.2
89.02451	15.6
92.44699	0.9
93.03484	5.2
95.01389	1.3
99.00895	3.0
101.02460	10.9
107.05045	6.8
108.02167	1.7
109.02932	1.6
111.00869	1.2
113.02476	6.5
119.03490	2.7
119.05035	8.9
119.69106	1.1
123.04528	1.3
125.02492	1.1
131.03455	1.6
137.02475	9.4
137.06093	7.8
143.03525	1.5
149.04547	3.6
155.10779	1.1
161.04558	5.9
162.04843	0.9
181.08762	1.1
191.05693	1.2
193.01535	1.1
221.04477	0.9
257.07928	1.2
257.17523	1.7
281.06702	15.2
282.07089	1.7
359.20798	1.8
376.83762	1.1
419.14450	3.4
419.23364	10.4
420.23215	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2806
Annotation	17-[2-Methylbutyryloxy]-grindelic acid
Peak:m/z	Relative Intensity
59.01373	1.6
62.78459	0.5
69.67046	2.1
71.01373	0.6
85.02950	1.5
87.00892	1.0
99.09541	0.7
101.02455	0.6
111.00906	0.9
111.04512	2.1
125.02477	1.4
135.08141	0.8
139.04051	0.7
141.05605	0.5
143.03520	7.3
151.07686	0.7
163.07668	3.1
169.05063	1.2
179.07207	0.7
181.05112	2.7
181.08708	15.9
182.05350	0.8
182.09018	1.2
183.06660	1.1
191.03448	0.5
193.08667	1.1
197.08238	0.6
209.08150	0.7
221.08235	1.2
222.08531	1.1
223.08624	0.8
239.09366	0.8
241.89342	0.6
249.07535	0.6
263.09277	1.5
357.24225	0.7
357.28186	1.2
375.29068	57.4
376.25177	0.8
376.29440	8.7
401.27023	1.7
419.16196	2.8
419.28055	100.0
420.16623	0.8
420.28479	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	420.2756
Annotation	6-Deacetylperegrine
Peak:m/z	Relative Intensity
59.01367	0.6
68.99244	3.7
68.99657	1.0
70.59782	0.4
76.41162	0.5
103.74113	0.6
114.59297	0.6
116.63831	0.5
121.02967	100.0
122.03321	3.3
145.44530	0.5
159.85989	0.6
180.03314	0.6
183.96500	0.5
267.94125	0.5
392.98801	0.6
420.27600	48.6
420.98502	2.4
421.27768	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	421.0028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	5.4
67.01884	2.0
71.26789	1.9
78.95891	4.9
85.02952	21.6
87.00883	33.9
96.96062	1.6
96.96944	2.0
101.02439	1.7
111.00891	100.0
112.01253	2.0
115.12166	1.7
125.02405	2.2
129.01949	4.4
138.43034	1.4
140.00732	1.2
142.96695	3.3
143.04630	1.5
154.99947	1.6
155.98843	2.6
169.01440	2.1
173.00870	4.3
191.01985	93.2
192.02277	2.6
230.98206	1.7
238.39975	1.4
333.06696	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.0628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99836	2.0
60.99313	15.2
70.54102	2.4
70.54416	4.2
71.01388	4.0
74.01402	2.2
74.85105	2.4
77.23226	2.5
78.95902	4.9
87.73922	2.5
88.98812	100.0
96.28465	2.4
96.96992	4.0
109.46169	2.5
115.96041	2.2
121.04604	2.4
125.02452	18.2
155.98912	2.5
168.00664	5.5
169.01437	34.3
192.91588	2.8
211.02455	23.2
241.03539	6.6
243.02875	2.7
247.02699	3.5
271.04626	48.8
300.99902	9.5
331.06778	41.4
332.07034	3.4
336.99878	2.6
357.40320	2.3
360.94662	2.2
421.04153	3.1
437.36642	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	421.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20891	0.9
55.01871	1.3
57.03455	1.1
58.36697	0.9
59.01380	5.1
60.06668	0.9
68.99808	1.7
71.01384	14.7
71.29644	1.4
73.02946	5.0
83.01389	4.2
85.02950	7.1
89.02462	1.6
92.02706	1.0
93.03463	46.4
94.03790	1.5
95.01385	9.1
96.99313	3.1
97.00716	1.0
99.00890	1.2
101.02450	12.9
108.02167	4.3
109.02965	2.6
113.02473	7.9
119.05031	1.9
121.02972	3.5
123.00896	98.2
124.01681	63.0
125.02555	4.6
126.65855	0.9
136.01698	4.7
137.02454	88.1
138.03242	32.9
139.00414	1.2
139.04024	40.5
140.04346	1.0
141.03401	1.0
147.04536	1.1
150.03177	1.1
151.00352	1.7
167.03531	1.1
170.29099	1.1
178.99852	1.4
179.03520	2.3
181.05070	1.3
182.64101	1.0
191.03491	1.9
193.05006	1.1
200.16110	1.0
209.04536	1.3
221.04550	1.5
225.07755	1.1
259.06079	1.6
281.06680	100.0
282.07071	5.8
286.75092	1.4
317.02994	1.8
333.01117	1.7
348.41989	1.1
376.46722	1.0
421.11432	95.1
422.11777	9.4
447.10452	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59463	0.3
55.01879	0.8
57.03447	0.6
59.01392	3.4
61.98818	0.6
65.00295	0.3
67.01894	1.3
68.99821	0.3
69.03452	0.7
69.14081	0.3
71.01031	0.5
71.01389	5.9
71.29293	0.4
72.99297	0.9
73.02946	2.2
79.01895	1.1
81.03453	0.5
83.01385	1.8
83.05079	0.3
85.02968	3.0
87.00888	0.6
95.01404	2.4
96.96015	0.3
97.02961	1.0
99.00887	1.0
101.02454	4.1
107.01410	4.7
108.75224	0.4
109.02963	0.6
110.00060	0.3
111.00903	3.1
113.02471	2.1
121.02942	0.6
123.00899	21.9
124.01761	1.7
125.02460	17.8
127.00372	1.0
135.04576	0.6
136.98853	2.1
137.02448	1.0
137.06094	0.5
138.03247	1.7
139.00389	7.0
139.04065	0.6
140.01157	5.5
141.01961	2.3
149.02359	0.4
151.00383	13.5
151.03998	0.8
153.01953	1.1
154.99873	0.4
161.04524	0.3
166.99852	0.4
167.03441	0.3
168.00656	4.4
169.01445	22.0
170.01814	0.6
179.03465	0.3
181.05148	0.7
191.03333	0.4
195.06638	0.4
249.94101	0.3
253.03438	0.4
266.99390	1.0
275.15091	0.5
299.98737	0.3
309.00266	0.6
313.05585	1.1
336.99844	0.9
364.99512	0.7
377.10318	0.3
392.98926	2.4
420.99380	4.2
421.11411	100.0
422.11752	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	421.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72824	0.8
57.03435	1.0
59.01385	4.6
62.72471	0.8
65.00307	1.3
67.01885	1.5
68.99817	2.4
69.03457	1.0
71.01382	4.4
72.99328	0.8
73.02942	1.4
79.01855	1.7
83.01385	2.3
85.02954	1.7
88.20867	0.8
93.03497	1.0
95.01377	2.6
96.11276	0.9
99.00897	1.2
101.02440	3.7
107.01395	8.4
108.02184	3.0
109.02964	8.0
110.00035	0.8
111.00884	5.2
113.02431	1.7
115.17009	1.0
121.02951	1.4
123.00908	20.6
123.04548	5.0
124.01647	1.7
125.02459	30.1
126.02767	1.0
127.00275	0.9
136.98795	2.9
137.02454	8.2
138.03221	7.1
139.00389	8.9
140.01144	6.9
141.01974	2.4
145.02940	1.5
149.02419	1.3
150.03236	1.9
151.00377	14.7
151.03925	1.2
152.01067	1.3
153.01894	1.8
158.03804	0.9
159.04469	0.9
161.02452	2.6
162.03268	4.9
163.03993	2.0
165.01904	1.5
165.32843	0.9
167.03474	1.8
168.00661	5.2
169.01442	35.8
170.01788	1.7
177.01944	1.4
177.05591	6.4
178.02774	5.1
178.99919	2.5
179.03513	4.3
180.04257	3.7
181.05025	1.8
193.05066	10.9
194.05766	3.5
195.06601	2.8
197.06026	1.8
209.08142	3.5
212.06831	1.5
215.03378	0.9
223.07608	1.2
225.05510	1.0
227.09381	1.3
243.02751	1.1
251.62357	1.0
267.06631	24.0
268.07111	1.3
313.05719	1.7
373.13080	2.1
420.61084	1.5
420.96423	4.5
421.11331	100.0
422.11649	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	421.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.7
63.79918	1.0
69.00677	6.3
69.01106	3.1
69.03458	1.0
71.01382	2.4
83.01412	1.3
85.02946	2.4
85.06617	1.1
87.04488	2.3
93.03499	1.1
95.01396	1.2
95.05016	3.6
96.96051	1.3
97.02917	2.1
97.06569	1.3
98.22640	1.7
108.02159	1.2
109.02932	2.1
109.06577	1.3
111.00864	1.2
111.04527	12.0
113.02470	1.8
119.05038	1.3
123.00866	1.1
123.04530	3.7
123.08169	1.0
125.02438	4.0
125.06100	2.7
135.08105	2.2
137.02438	2.3
137.09705	2.0
139.04031	14.5
141.02058	1.3
144.61354	1.0
151.07652	1.8
153.05516	1.8
163.04039	1.6
163.07635	2.4
165.01921	1.2
167.07109	1.5
169.01439	2.2
170.38045	1.1
179.03470	1.5
179.07155	2.5
179.10796	12.7
181.05058	4.5
181.08733	16.4
183.06635	2.7
193.08672	1.6
195.06670	4.7
196.07416	2.0
197.04556	2.6
197.08122	1.6
205.05103	1.1
205.08696	1.6
207.06660	10.8
209.08195	3.8
211.09804	2.5
221.08211	1.0
223.09770	100.0
224.10121	5.3
225.07736	2.0
237.07642	1.5
239.05606	6.1
247.09735	2.5
265.10941	1.4
289.10800	1.6
291.08682	1.1
309.00430	1.1
331.26523	2.1
333.09671	6.0
349.16827	1.1
359.15060	1.2
359.26025	1.3
385.15070	15.3
386.15448	1.5
392.98892	4.1
403.13983	15.6
404.14395	2.2
420.98703	5.9
421.14755	3.9
421.18924	1.6
421.26587	2.4
421.98456	1.2
438.90155	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1508
Annotation	14-Hydroxyhypocretenolide-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.12462	1.0
59.01376	5.7
65.91907	1.1
69.39862	6.5
82.64391	1.0
83.01390	1.2
85.02952	11.7
85.06601	2.1
86.03268	1.0
87.04517	6.1
95.01379	1.2
95.05041	11.3
97.02921	1.0
108.02153	1.3
109.02921	4.1
109.06629	2.1
111.00858	4.7
111.04530	28.2
111.08146	2.5
113.02469	5.2
113.06106	5.8
121.06586	5.4
123.04493	1.7
123.08094	1.1
125.02448	1.6
127.07663	7.8
128.64923	1.5
135.00847	1.2
135.08139	2.6
137.02429	3.1
137.06050	1.9
139.07605	4.3
140.01068	1.2
141.05447	1.0
149.06108	1.3
151.07594	4.0
153.05588	1.9
153.09195	1.7
155.07191	5.9
157.01419	2.5
163.07623	4.7
164.01115	2.5
165.05574	11.1
165.09131	2.1
169.08727	8.3
177.05380	1.2
179.07143	9.4
180.04272	1.1
181.04988	3.4
181.08743	5.9
183.06635	100.0
184.06905	3.6
185.04584	1.3
189.55333	1.0
190.99779	1.5
191.07118	1.4
192.04388	1.2
193.05016	2.9
205.04892	1.5
206.09377	2.2
207.02924	1.1
207.06627	18.7
207.09720	1.5
208.07259	2.5
209.04497	1.4
209.08098	4.0
211.47139	1.1
221.04480	1.1
221.08240	1.9
221.11722	4.3
223.06030	1.5
225.07607	3.2
233.04454	1.6
234.05202	3.1
235.06049	4.6
237.05481	1.9
237.07698	18.2
238.08051	1.3
245.08167	1.9
245.11812	1.0
247.09732	2.3
251.05647	18.3
252.05818	1.6
261.11200	1.4
263.09238	2.5
264.06299	1.5
264.09381	1.0
265.10782	1.2
289.10892	8.3
301.10672	1.4
309.09607	2.8
317.13812	2.4
331.15744	1.5
344.12643	1.2
347.14923	1.2
359.15030	9.5
375.14328	6.6
377.16122	16.9
378.16385	2.3
403.14011	15.6
404.14569	1.3
421.14853	48.7
422.15323	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	421.163
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	21.1
59.01385	100.0
64.79762	5.8
69.22154	44.6
71.01041	5.8
71.01381	41.8
73.02943	10.1
78.52044	5.7
83.01377	6.0
85.02956	7.7
87.00878	5.5
89.02446	35.3
90.46198	7.0
91.43948	5.0
94.59148	5.3
95.01369	6.0
97.06594	20.3
99.00920	5.4
99.04534	25.5
101.02457	25.3
113.02473	10.4
113.37405	6.2
117.80246	5.6
118.92071	5.6
119.03507	10.0
125.02426	7.9
141.05583	7.1
146.08237	12.7
161.04576	9.4
179.05772	7.4
197.11884	7.1
207.55353	7.2
241.10757	26.6
259.06094	21.8
259.11865	12.7
275.24567	5.9
277.12375	13.4
320.50925	5.7
356.20343	6.0
377.18118	30.8
403.23755	9.3
408.61026	6.5
421.15851	35.0
421.21320	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	421.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63152	1.8
57.03433	2.1
57.49864	1.6
59.01385	100.0
64.31141	2.1
69.10621	9.8
69.11028	4.6
71.01389	9.5
73.02934	4.3
83.29620	1.5
85.02956	5.6
85.37374	2.0
89.02448	5.6
93.03497	2.5
98.22533	3.8
101.02457	5.0
113.02445	5.3
123.00924	4.1
123.04515	1.8
127.97492	1.6
137.02446	3.2
150.03226	4.0
161.04581	5.7
162.03241	3.6
165.01883	2.7
165.05669	3.6
167.03452	2.3
177.05550	4.2
180.04260	2.9
195.06628	8.5
229.70116	1.9
257.81168	1.8
317.99893	1.8
362.80154	1.9
421.15970	13.0
421.20761	3.2
422.15970	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	421.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91137	5.9
59.01379	78.7
61.98791	5.5
69.05764	47.8
71.01393	37.1
73.02944	14.2
74.99093	7.6
85.02956	14.2
87.00886	11.2
89.02441	21.9
95.05016	6.5
97.06577	7.2
98.21734	12.1
99.04498	12.2
100.74908	7.2
101.02436	15.8
108.02159	36.2
109.03045	9.6
111.00908	10.5
113.02448	12.8
123.04559	10.0
152.01173	22.3
153.01694	9.1
169.05118	6.7
179.95454	6.9
244.17175	6.3
259.05963	9.4
259.11920	11.2
410.18045	6.3
421.09860	24.4
421.16428	100.0
421.20938	14.5
422.16608	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	421.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63152	1.8
57.03433	2.1
57.49864	1.6
59.01385	100.0
64.31141	2.1
69.10621	9.8
69.11028	4.6
71.01389	9.5
73.02934	4.3
83.29620	1.5
85.02956	5.6
85.37374	2.0
89.02448	5.6
93.03497	2.5
98.22533	3.8
101.02457	5.0
113.02445	5.3
123.00924	4.1
123.04515	1.8
127.97492	1.6
137.02446	3.2
150.03226	4.0
161.04581	5.7
162.03241	3.6
165.01883	2.7
165.05669	3.6
167.03452	2.3
177.05550	4.2
180.04260	2.9
195.06628	8.5
229.70116	1.9
257.81168	1.8
317.99893	1.8
362.80154	1.9
421.15970	13.0
421.20761	3.2
422.15970	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	421.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61369	1.5
55.01870	1.9
57.03439	5.9
57.50805	1.7
59.01382	89.6
61.98806	1.9
68.81322	1.6
69.06389	14.1
71.01386	46.3
72.99302	1.7
73.02950	67.3
83.01369	3.4
83.05070	1.8
85.02959	11.5
87.00860	4.2
89.02451	38.9
95.01412	3.3
99.00853	2.1
99.04516	2.5
101.02455	20.1
105.07092	2.9
107.05009	5.2
111.04562	2.0
113.02469	16.1
113.06141	1.8
115.03985	2.1
119.03500	17.0
120.99654	4.0
123.04465	2.3
123.08176	23.0
125.02432	4.0
125.06069	5.1
134.07385	1.9
143.03452	2.9
149.02420	5.8
149.04572	2.8
149.09727	9.3
150.03160	3.6
161.04559	3.0
167.07147	100.0
167.10837	15.0
168.07443	3.4
170.19135	1.7
179.03558	2.0
179.05579	10.2
179.10757	4.8
181.08725	2.0
185.08188	18.8
193.05028	2.9
197.11856	18.8
199.09738	4.2
223.06107	3.0
223.09607	2.0
241.10828	92.8
242.11151	5.8
259.11826	30.7
259.15329	4.7
283.11868	1.9
300.99866	2.4
301.13370	2.0
331.07895	2.1
347.13547	4.7
361.15051	4.7
421.17050	85.2
422.17459	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	421.172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	1.4
58.00597	3.1
59.01386	47.4
60.92797	1.1
69.03436	2.0
70.92105	1.9
71.01386	21.6
72.99310	1.4
73.02953	47.6
85.02950	5.3
89.02451	22.8
100.74139	1.5
101.02454	9.7
105.07113	4.0
107.05009	2.9
113.02454	8.5
119.03497	8.4
123.08174	23.0
137.13878	1.3
149.04744	1.3
161.04556	1.5
167.07146	100.0
168.07487	3.5
173.62833	1.1
177.09219	1.4
179.05569	5.8
179.10803	2.6
179.61977	1.2
185.08127	1.8
197.11816	21.3
223.09697	1.4
239.48906	1.4
241.10838	95.1
242.11122	6.0
243.02684	1.5
259.11908	2.9
275.79749	1.4
347.13412	7.0
418.38449	1.5
421.11926	4.1
421.17175	92.0
422.17404	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	421.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84603	0.2
62.13521	0.2
69.01836	0.2
69.02144	2.1
95.01396	1.0
97.02957	1.0
107.04995	0.3
123.04532	1.1
125.02506	0.4
139.04094	0.2
149.02396	0.5
149.06055	0.3
151.04005	3.5
153.05589	3.4
154.35814	0.2
163.03992	0.3
164.04785	0.5
179.03543	0.3
179.07147	0.7
181.05080	71.0
182.05441	2.9
195.06671	0.3
196.07416	69.3
197.07761	3.9
201.68050	0.2
201.78006	0.3
211.09769	100.0
212.08086	0.3
212.10107	6.0
219.79726	0.2
230.99637	0.7
266.99594	0.2
335.64481	0.3
392.98816	1.1
420.98169	2.0
421.18835	0.3
421.98709	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26587	0.4
58.80973	0.4
63.72225	0.4
67.01884	0.4
68.22214	0.4
68.73489	0.4
69.59238	2.3
80.12746	0.4
90.21085	0.3
96.74685	0.4
106.46855	0.5
109.02965	0.7
115.54456	0.4
118.00240	0.4
118.91364	0.4
121.53450	0.3
123.04534	7.1
125.02480	0.6
137.02461	4.6
149.22168	0.4
151.04016	18.1
152.04381	0.6
163.04008	1.4
165.05594	1.2
177.01984	0.5
177.05626	0.4
178.06386	0.8
179.03505	100.0
180.03857	4.9
181.05064	3.3
183.06059	0.4
194.05844	84.8
195.06171	3.8
196.07417	6.6
209.08197	86.9
210.08574	4.0
211.09760	9.7
241.05089	0.5
271.02676	0.6
281.95596	0.4
352.80197	0.5
392.98724	0.9
420.98199	2.4
421.98651	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94509	3.2
53.98296	2.4
57.03453	30.6
65.44781	2.5
71.72948	2.5
85.02969	3.3
85.06598	99.2
85.43724	3.1
87.04511	7.8
87.71085	3.1
95.05052	3.8
97.02978	3.0
97.06611	4.5
99.04491	3.8
101.06122	5.1
101.24434	2.6
107.01406	3.6
111.00868	4.5
111.04517	9.5
113.02472	3.1
113.06107	8.9
113.09728	9.2
125.02477	17.7
126.03269	4.1
137.02411	3.3
139.04005	3.4
139.11224	4.1
141.05588	68.3
165.09178	3.1
166.06511	2.8
169.01431	16.1
181.05193	4.4
181.08714	100.0
182.09047	7.5
183.06671	4.3
185.04570	18.1
195.10332	6.4
209.08188	12.4
235.13377	4.8
239.09216	3.8
249.11296	3.9
249.15022	6.1
250.08102	3.6
263.09238	2.9
279.36523	2.9
309.09790	4.8
313.05679	10.8
316.10352	3.1
319.15460	11.7
339.12408	4.0
340.12720	3.1
357.09045	2.9
377.19724	82.6
378.20123	16.2
392.98782	4.0
420.98315	6.0
421.13345	6.4
421.18387	9.5
421.26248	9.3
421.31238	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	421.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33970	0.9
67.01890	0.9
69.22529	0.8
69.73989	3.3
77.34658	0.7
98.22562	1.0
109.03014	1.3
123.04547	8.3
137.02477	4.4
151.04034	16.0
151.05222	0.6
165.05589	2.1
179.03519	100.0
180.03818	4.5
181.05095	2.3
194.05862	78.1
195.06154	4.6
196.07434	3.7
196.56447	0.9
208.35715	0.8
209.08214	85.8
210.08472	5.0
211.09796	6.8
223.09749	1.6
259.02451	1.2
264.24316	1.0
271.02573	2.6
282.74307	1.0
392.99011	3.2
407.04578	0.9
420.98648	4.2
421.05051	1.0
422.40326	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52729	0.4
69.72097	1.6
72.01487	0.4
93.28651	0.4
96.96022	0.5
98.21891	0.8
98.67995	0.4
109.02947	0.7
114.90871	0.4
123.04537	7.9
137.02449	4.0
151.04027	18.3
152.04436	0.7
153.05586	0.5
165.05579	1.6
179.03510	100.0
180.03868	4.2
181.05049	5.1
181.06374	0.5
191.39211	0.4
194.05852	77.2
195.06204	3.9
196.07498	3.2
209.08202	84.6
210.08554	5.0
211.09796	4.8
227.09314	2.5
246.33034	0.4
259.02612	0.9
266.05771	0.4
271.02444	2.1
326.07971	1.0
341.10379	1.4
392.98843	2.0
393.05780	0.6
393.98938	0.4
420.98383	2.0
421.05051	0.9
421.18103	0.6
421.26080	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.8
63.23085	0.8
69.04480	5.1
69.04885	1.4
71.01379	2.3
74.99078	1.1
89.02467	1.0
95.01366	1.8
96.95973	1.3
101.02451	1.6
103.03981	1.0
107.01401	1.0
107.05012	2.9
109.02962	7.7
111.00836	1.3
113.02402	1.1
121.02962	1.7
123.00876	2.6
123.04513	2.0
124.01666	6.1
125.02457	10.6
137.02444	8.7
138.03236	2.9
139.00343	6.6
139.04018	14.3
145.01216	0.8
149.90898	0.9
150.03207	2.2
151.00356	1.2
151.04028	6.0
152.04829	1.3
153.01982	1.2
153.05560	6.0
154.02730	9.6
162.03172	1.2
163.04028	1.6
163.06099	1.1
165.01945	1.0
165.05554	1.9
166.02724	2.9
169.01434	3.9
171.04495	1.1
177.01903	8.1
177.05614	2.8
178.02750	10.4
179.03534	4.4
180.04234	2.2
181.05078	90.6
182.05383	3.8
183.03001	2.7
185.06146	0.9
187.07582	1.7
191.03505	1.3
192.04277	3.6
193.05060	18.0
194.02184	7.2
194.05777	2.5
195.02957	3.6
195.04781	1.3
195.06601	6.2
196.07410	68.9
197.07820	4.8
207.06624	1.7
209.02637	1.7
209.04510	14.0
209.06200	1.2
209.08110	1.8
210.04927	1.3
211.09770	100.0
212.10054	5.8
213.05623	1.6
215.43781	0.8
227.07094	1.7
227.98819	0.8
237.05492	2.6
238.06311	1.5
253.05005	5.4
254.05722	2.6
255.06645	31.7
256.06979	2.9
266.99350	1.8
267.06668	7.1
268.07251	1.1
269.04633	1.2
311.05405	1.3
337.00079	1.5
360.94681	0.9
361.13098	1.1
377.10315	8.4
391.13980	3.9
392.98788	5.4
393.06235	1.1
406.16299	5.0
407.16867	1.1
420.98398	10.9
421.10608	3.8
421.14352	4.0
421.19736	12.4
421.98639	2.3
422.19473	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	421.2083
Annotation	1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1->6)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01888	7.5
57.03451	3.9
57.68790	0.6
58.00574	1.4
59.01381	40.7
65.40123	0.5
69.03440	1.9
69.76476	0.6
70.91167	1.0
71.01385	73.5
72.01698	0.9
72.99282	2.6
73.02952	35.2
75.00863	2.0
83.01392	14.3
85.02958	32.0
85.03497	1.1
86.00063	1.5
87.00884	3.9
89.01903	1.1
89.02451	19.4
95.00938	0.6
95.01405	5.8
97.02950	3.4
98.05970	0.6
99.00883	13.5
101.02450	66.6
102.02755	1.8
108.85213	0.6
111.00864	2.2
113.02460	27.5
114.02802	0.8
115.04014	2.1
119.03472	1.7
125.02457	5.1
129.01935	1.6
131.03510	4.8
143.03522	3.3
149.04599	3.3
159.03003	5.3
161.04567	33.8
164.22656	0.6
170.64728	0.7
199.25923	0.7
232.26874	0.5
233.06702	3.4
289.16586	100.0
290.16891	8.0
293.08841	0.9
294.45181	0.6
333.15466	0.9
421.20819	88.4
422.21185	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	421.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39365	0.7
59.78008	0.7
62.18227	0.6
63.48142	0.6
66.12514	0.7
71.27964	0.7
71.28453	1.2
79.01900	2.6
100.35055	0.7
103.60780	0.7
121.84334	0.8
125.02459	5.7
125.06092	9.5
137.09717	3.1
138.03253	4.6
151.00343	1.7
151.04074	1.8
153.05542	0.7
162.17999	0.7
166.02731	5.0
170.02199	2.2
179.07129	2.1
191.07140	3.2
193.08676	2.0
195.06770	1.0
209.08197	39.0
210.08487	3.7
215.07079	0.9
218.94676	0.8
222.08966	3.2
223.09848	3.7
226.08359	1.2
243.14038	1.2
251.09196	0.9
283.13336	1.0
327.19702	2.7
361.20016	1.0
385.85480	0.7
389.19705	100.0
390.20135	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	422.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	19.2
61.98835	100.0
67.04039	2.0
70.32902	3.8
71.01397	11.0
72.99294	2.6
73.02946	2.1
75.00894	2.6
79.03966	2.0
80.91663	2.1
85.02964	3.3
87.00874	3.8
89.02444	5.8
101.02444	6.3
102.98608	7.9
109.02971	1.7
112.04008	3.9
113.02484	4.1
119.03512	2.6
120.99659	3.4
123.00906	2.3
125.02441	4.8
128.86658	1.7
164.04805	2.0
169.01418	4.3
216.23193	1.6
249.06160	3.6
255.02905	2.0
283.04877	4.2
289.05164	2.0
294.49420	1.9
351.49390	1.6
363.16537	9.2
423.09204	12.7
423.18375	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01377	1.2
96.96023	4.0
98.21642	1.8
108.88226	1.1
109.02981	1.3
118.43541	1.0
123.04528	8.7
124.04868	2.6
137.02440	7.2
138.02798	1.9
151.04024	18.5
152.04359	13.3
179.03506	100.0
180.03850	66.6
181.03835	2.7
181.05254	1.3
182.05417	1.3
194.05853	69.8
195.06194	60.7
195.08025	2.6
196.07378	4.1
197.07796	1.8
209.08199	73.6
210.08548	65.8
211.10001	6.1
212.10127	7.3
269.98132	3.0
285.00415	3.4
291.18375	1.1
297.97528	9.3
298.00677	1.4
298.14154	1.5
312.99930	15.7
328.02240	14.5
343.04584	22.6
393.99344	2.2
421.98749	2.7
422.99960	15.0
423.06931	2.2
423.16788	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.9998
Annotation	Eschweilenol B
Peak:m/z	Relative Intensity
51.32985	0.2
59.01384	0.4
59.72388	0.2
67.77572	0.2
69.12614	1.5
86.05692	0.2
96.96017	2.2
139.93819	0.2
155.05125	0.3
165.03387	0.3
167.05064	0.3
169.02919	0.3
171.04382	0.3
181.02896	0.3
182.03517	0.3
182.44820	0.2
183.04492	0.6
185.02438	0.3
193.02936	0.7
195.04488	0.7
197.02614	0.3
199.00383	0.3
199.04056	0.5
200.01154	0.6
209.02484	0.7
211.03978	0.4
213.01920	0.3
221.02483	0.9
223.04041	0.8
225.01694	0.2
227.03493	0.7
229.01236	0.4
237.01929	1.4
238.02567	0.2
239.03529	0.5
242.99277	0.6
243.02992	0.6
249.01935	0.6
250.02547	0.4
251.03302	0.4
255.03030	0.6
256.00128	0.4
258.01608	0.7
259.02386	0.6
265.01590	0.7
266.02164	0.7
266.99344	0.7
267.02948	1.0
269.00757	0.5
270.98853	2.6
271.02502	1.1
272.03204	1.6
277.01385	0.6
281.01041	0.4
283.02411	0.5
283.99658	1.2
285.00388	0.6
293.00912	1.8
294.01501	0.6
295.02359	0.5
297.00494	1.3
298.01190	1.0
298.98398	0.6
299.01840	0.3
299.99112	2.3
305.01126	0.5
306.01788	0.8
307.99527	0.8
309.00378	2.2
310.01102	0.7
311.01978	3.0
321.00330	1.6
322.01328	1.2
323.01889	0.8
323.99072	1.3
324.99692	0.4
333.00366	1.2
336.99921	0.9
339.01529	0.8
348.99823	0.9
350.00647	0.6
351.01431	0.4
352.99014	0.3
361.16721	0.3
367.00916	0.6
376.99362	3.8
377.99820	0.5
394.99951	0.6
404.98761	1.3
405.99695	1.0
421.98801	0.3
422.99954	100.0
423.06680	4.1
423.27646	0.6
424.00272	10.6
424.06293	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.9999
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78765	0.2
51.95504	0.2
55.73793	0.3
59.01380	0.7
65.00330	1.3
69.28564	0.6
69.28973	0.8
71.01379	1.4
73.02940	0.7
83.01389	0.4
85.02956	0.7
91.71965	0.2
95.01344	0.2
96.96021	2.4
98.26668	0.2
101.02448	1.1
111.00861	0.4
113.02450	0.4
125.02445	0.4
127.78310	0.3
132.99461	0.2
135.61699	0.2
161.04564	0.7
165.03523	0.2
169.02937	0.3
178.08151	0.2
185.02487	0.3
193.02946	0.7
195.04561	0.4
197.02412	0.4
200.01170	0.4
209.02443	0.4
211.03951	0.6
213.01889	0.3
221.02431	0.9
226.99812	0.4
237.01945	1.0
239.03476	0.5
242.99297	0.8
249.01906	0.8
250.02705	0.3
251.03474	0.4
253.01530	0.3
255.03069	0.3
256.00137	0.4
257.75549	0.3
261.01923	0.3
265.01559	0.5
266.02161	0.6
266.99344	0.7
267.02994	0.8
268.00342	0.4
269.00919	1.2
270.98834	2.8
271.99115	0.3
277.01559	0.6
277.16541	2.4
279.03040	0.4
283.99573	1.2
285.00464	1.6
293.00861	1.7
294.01700	0.3
294.99481	0.2
295.02383	1.5
297.00363	2.6
298.01102	1.8
298.98282	0.8
299.01602	0.3
299.99127	2.4
300.99921	0.3
305.00922	0.4
306.01764	0.6
307.99585	0.6
309.00333	2.2
310.01065	0.6
311.02014	3.0
312.02386	0.3
314.07910	0.3
321.00443	2.0
322.01141	1.7
323.01892	2.6
323.99106	1.2
324.99887	1.2
333.00470	1.1
336.99991	1.2
338.00327	0.3
339.01343	1.6
348.99854	1.0
350.00336	0.4
351.01477	1.1
367.00940	1.5
376.99377	2.9
377.99780	0.5
379.01007	1.3
395.00229	1.0
404.98880	2.5
405.99744	0.5
422.99939	100.0
424.00253	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	423.0031
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39132	0.5
69.05967	4.7
73.82399	0.5
77.07653	0.5
91.71874	0.5
92.91314	0.6
109.02973	1.9
123.04566	1.9
145.03052	0.8
151.04059	1.6
164.09055	0.5
171.04601	1.2
179.03554	0.9
183.04489	1.3
185.06087	0.7
191.03563	0.8
194.05835	0.9
197.99677	0.7
199.04028	0.7
200.04718	0.7
210.08553	0.6
214.02707	1.1
215.03374	0.6
217.01341	0.7
227.03564	1.8
229.01328	0.5
229.05069	0.7
230.02185	1.9
243.03082	2.0
244.03749	1.8
254.99318	1.3
255.03079	0.9
258.01675	5.7
259.02472	4.9
269.01129	0.6
269.04465	1.2
269.98093	9.3
271.02484	17.5
272.03238	14.0
273.03830	0.7
285.00436	10.0
285.04004	1.8
297.00162	0.6
297.97565	31.2
298.00797	1.5
298.97943	3.1
299.01990	2.6
300.02759	1.0
301.03442	1.9
309.07639	0.5
312.99924	66.9
314.00259	5.1
314.03790	0.7
327.01883	0.6
327.06104	0.5
328.02246	67.2
329.02579	5.6
343.04605	100.0
344.04950	8.4
423.00562	3.8
423.07214	49.6
424.02020	0.8
424.07504	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	423.0031
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21995	0.5
70.55934	1.2
76.16154	0.6
83.85394	0.6
85.74275	0.6
96.96028	1.3
98.21778	0.8
109.02933	0.7
123.04538	0.8
137.99452	0.5
147.04633	0.7
179.03505	2.4
180.03841	1.7
181.55991	0.6
194.05841	1.0
195.06264	0.9
209.08110	1.1
210.08440	1.0
223.09746	1.4
254.99355	1.3
257.00839	1.2
269.98080	11.2
270.98550	1.1
271.02487	2.8
272.03223	1.7
285.00415	10.2
286.00827	1.1
297.97559	41.3
298.97867	3.5
299.99243	1.1
312.99915	69.8
314.00253	4.3
328.02252	66.1
329.02527	5.5
343.04605	100.0
344.04919	8.3
374.61060	0.6
423.00012	8.7
423.07202	4.2
424.00305	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0394
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	12.6
59.01353	2.0
65.00330	2.0
69.03369	12.7
69.03777	4.7
71.01426	2.2
74.86649	1.8
83.01396	3.5
93.03477	4.0
95.01437	1.8
96.96021	2.7
109.02959	2.1
121.02975	5.0
122.03783	3.4
124.01670	3.0
125.00644	6.9
125.02464	63.2
125.09737	3.4
126.02809	2.2
135.04614	2.8
137.02461	5.9
139.03954	2.4
145.02924	2.5
147.00911	3.8
149.02472	8.6
150.03265	21.0
150.08195	2.3
151.00372	7.8
152.01192	4.0
153.00179	21.0
153.02000	2.2
155.01753	4.3
161.02466	3.0
165.00162	6.7
165.05579	29.1
169.02882	1.9
173.02386	11.9
175.00331	6.4
175.04033	10.6
178.99805	4.3
180.04292	3.8
180.99648	41.3
183.01064	2.2
183.04538	2.7
187.04022	7.1
190.98030	2.8
195.06627	18.7
197.02448	5.4
198.03221	4.6
199.03993	8.4
203.01689	6.1
206.00476	2.7
207.01216	41.0
208.99161	50.5
209.99527	3.2
211.04036	12.2
212.04791	4.0
215.03514	10.1
216.04268	15.8
217.05000	3.7
221.02802	2.2
227.03526	5.2
227.09222	2.8
231.01199	32.3
232.99123	3.2
239.03510	5.1
240.04326	11.7
241.05058	6.9
242.02092	2.5
243.02943	3.4
243.06592	2.9
245.02802	4.6
249.02271	32.3
255.03177	12.5
256.03668	2.7
273.02267	21.1
274.02612	2.9
275.00223	3.8
283.02487	39.5
284.02960	6.6
285.04074	46.8
286.04306	2.7
289.01627	2.8
299.00208	5.1
317.01251	100.0
318.01520	7.2
335.02286	3.7
405.02829	75.1
406.03104	9.9
423.12241	4.6
423.17889	3.5
447.70996	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	423.0606
Annotation	Unknow
Peak:m/z	Relative Intensity
66.47913	0.4
69.62939	1.1
69.63349	0.8
71.01381	0.4
72.99320	0.5
73.02945	0.4
79.95737	8.2
80.96519	4.7
82.87807	0.4
85.02937	1.7
87.41738	0.3
88.20209	0.3
96.96017	100.0
101.02441	0.5
103.35490	0.3
114.82044	0.5
122.97533	0.4
127.04007	1.5
133.16885	0.3
136.99155	6.9
138.97078	6.2
150.97018	0.4
153.05688	0.4
164.98640	2.4
167.00121	0.9
182.02223	2.0
197.04510	1.9
225.00754	73.7
226.01050	2.5
354.96875	0.4
423.06055	8.1
424.06412	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0606
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01220	0.3
59.01370	1.1
69.33861	2.6
71.01383	0.7
73.02927	1.2
79.95736	7.9
80.33393	0.4
80.96517	4.8
85.02963	2.4
96.96018	100.0
97.95940	0.4
99.04543	0.5
101.02441	0.4
102.12742	0.4
122.97564	0.4
123.00925	0.5
124.39996	0.4
127.04012	1.3
136.99152	6.4
138.97093	6.7
150.97038	0.6
164.74373	0.4
164.98676	2.5
166.99988	0.8
182.02234	1.6
196.92653	0.4
197.04588	2.1
206.99690	1.1
225.00757	68.8
226.01099	3.0
243.12473	0.4
262.84286	0.5
353.88483	0.4
423.06116	8.1
424.06500	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0724
Annotation	6-(3,4-Dihydroxyphenyl)-6a,12b-dihydro-3,10,11,12-tetrahydroxy-[2]benzopyrano[3,4-c]benzopyran-8(6H)-one
Peak:m/z	Relative Intensity
50.10001	0.7
59.01392	0.9
69.25765	1.7
69.26169	3.0
71.01368	0.9
71.11483	0.7
93.03467	1.1
95.05019	1.1
96.96020	4.6
98.21791	1.5
101.02433	0.9
108.02126	1.0
109.02959	13.1
111.00867	1.1
113.72899	0.8
120.99663	1.5
121.02931	1.4
122.03791	0.8
123.00876	1.0
123.04535	8.4
125.02448	2.3
133.02933	0.7
137.02466	1.3
138.03250	1.4
147.04483	0.9
149.02438	2.0
150.03226	1.5
151.04030	4.1
153.05547	0.9
159.04433	1.4
161.02454	2.9
165.05499	1.3
166.02737	2.1
169.01437	1.0
171.04398	1.2
173.06026	0.9
175.03986	1.5
177.01926	1.0
180.04221	1.6
181.05075	3.0
185.02451	1.2
185.06082	0.8
186.03201	1.4
187.04054	2.3
189.01970	1.7
190.02708	1.5
191.03525	5.7
195.06607	2.4
199.04105	3.6
201.01906	1.1
201.05588	1.0
203.03468	2.3
211.06169	1.1
213.01978	1.3
213.07709	1.3
214.02730	6.6
214.99910	1.0
215.03444	4.1
216.00580	0.8
217.01472	1.4
217.05043	1.5
225.00790	1.8
226.03035	0.8
227.03497	3.7
228.04242	2.3
229.01456	7.0
229.05074	1.7
230.02110	2.0
231.02969	2.6
240.04163	0.8
241.05029	2.3
242.02304	1.2
242.99347	2.1
243.03014	11.9
243.99985	0.9
245.00815	1.4
246.01721	3.8
255.03012	2.1
257.00919	1.9
257.04605	1.5
258.01715	39.1
259.02444	17.4
260.03119	1.4
261.04083	4.2
269.04535	1.8
270.01746	1.4
270.05328	2.7
270.98904	7.7
271.02496	25.3
271.05643	1.0
271.99304	1.1
272.03223	10.1
273.04044	4.5
283.99747	0.9
285.00476	1.9
285.04001	3.1
297.97800	1.5
298.01166	2.4
298.98370	13.7
299.01981	30.7
299.99228	12.4
300.02380	2.5
300.99969	1.8
301.03528	4.6
311.76367	0.8
313.03592	3.0
355.08426	1.7
360.92010	0.8
379.08032	4.8
414.62711	0.8
423.00333	5.0
423.07227	100.0
424.07547	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	423.0725
Annotation	6-(3,4-Dihydroxyphenyl)-6a,12b-dihydro-3,10,11,12-tetrahydroxy-[2]benzopyrano[3,4-c]benzopyran-8(6H)-one
Peak:m/z	Relative Intensity
59.01381	1.7
96.96020	13.0
100.19953	0.6
109.02975	3.6
109.04619	0.6
110.36535	0.7
111.42633	0.6
123.04536	2.3
137.02451	7.9
138.55312	0.6
147.04535	1.2
149.02420	1.0
151.04008	1.9
159.04501	1.1
161.02470	0.9
161.06012	0.8
162.03033	0.6
173.02390	1.1
174.03201	0.6
175.04008	1.2
183.04584	0.8
185.02426	1.2
186.03185	0.9
187.04077	0.8
189.02089	1.0
189.05586	1.1
191.03505	4.3
199.04005	1.2
200.01122	0.9
200.04689	1.1
201.01814	1.4
203.03540	3.9
205.05029	1.1
211.03896	0.8
213.01985	0.7
214.02704	1.6
215.03447	1.6
217.01344	1.1
225.11551	0.7
227.03523	3.1
228.04253	3.0
229.01416	6.0
229.04890	1.1
230.02177	2.6
231.02939	1.5
241.01311	1.1
242.02170	0.8
243.02969	7.5
244.03720	2.5
254.02281	0.9
255.03111	1.8
258.01706	17.1
259.02435	8.9
269.00793	0.7
270.05249	1.4
270.99200	1.2
271.02466	23.1
272.03229	28.5
273.03787	2.9
279.02930	0.6
285.03998	2.4
297.00366	0.8
298.01248	2.9
298.08609	1.0
299.01874	1.0
299.99438	1.1
300.02728	1.6
301.03476	2.2
309.00333	0.8
313.03479	2.2
313.10757	6.5
314.04257	1.0
318.55521	0.8
321.00287	1.0
343.11884	2.8
343.21237	1.2
361.16943	0.7
376.99112	0.9
387.10748	5.9
423.00021	32.7
423.07230	100.0
423.16843	7.2
424.00464	3.5
424.07584	12.9
431.61978	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0726
Annotation	6-(3,4-Dihydroxyphenyl)-6a,12b-dihydro-3,10,11,12-tetrahydroxy-[2]benzopyrano[3,4-c]benzopyran-8(6H)-one
Peak:m/z	Relative Intensity
52.60112	0.5
66.73675	0.7
68.99055	3.6
79.15772	0.6
80.18192	0.5
81.23557	0.7
95.92559	0.5
98.22621	1.1
108.02145	0.6
109.02949	3.7
123.04530	4.1
145.02925	0.8
147.04514	1.1
149.02405	0.6
151.04016	2.4
163.03903	0.7
171.04539	3.1
173.02382	0.8
175.03983	0.6
183.04546	2.9
184.05190	1.0
185.06036	0.8
186.03275	0.8
187.04001	0.7
189.05550	0.7
191.03491	0.9
199.04004	2.4
200.04782	0.7
201.01833	0.8
202.02629	0.8
203.03491	1.2
214.02658	1.1
215.03532	1.6
217.01430	1.2
225.47212	0.7
227.03589	4.4
228.04182	1.3
229.01457	0.8
229.05061	1.1
230.02200	4.2
231.02838	0.7
243.03008	4.2
244.03717	4.9
255.02980	1.3
258.01691	12.8
259.02448	11.2
260.02805	0.6
269.04639	1.0
269.97986	2.2
270.05450	0.6
271.02490	32.7
272.03229	27.4
273.03732	2.6
283.02527	0.9
285.00452	2.5
285.03998	3.0
297.97571	8.4
298.01196	4.0
298.98663	0.8
299.01926	3.8
300.02658	1.8
301.03482	4.7
304.02380	0.8
312.99988	13.6
313.03528	2.4
314.00497	1.0
314.04080	1.4
328.02231	13.7
329.02673	1.3
343.04581	21.3
344.04816	2.0
376.73599	0.6
379.08441	1.2
405.06033	0.9
423.07217	100.0
424.07556	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	423.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65908	0.6
69.29617	4.0
75.57175	0.5
93.03451	0.7
96.96024	14.9
108.02200	0.6
109.02969	5.1
115.05531	0.8
121.02997	1.3
123.04526	2.6
125.02447	0.6
137.02458	1.1
143.05023	1.1
145.02985	1.0
145.85632	0.7
147.04521	0.9
149.02449	1.4
151.03987	2.2
157.02982	0.8
158.03752	1.6
159.04530	2.2
161.02496	1.6
161.06088	0.7
171.04501	4.3
173.02472	1.5
173.06175	0.6
174.03180	0.7
175.03955	1.4
179.03477	2.1
180.03836	1.4
182.03728	2.2
183.04514	4.1
183.13890	2.0
184.05319	0.9
185.02438	2.1
185.06149	1.3
186.03270	1.0
187.03984	1.9
187.26526	0.6
189.01900	0.8
189.05603	1.2
191.03484	0.8
194.05846	0.9
195.06133	1.5
199.04050	4.5
200.04755	1.6
201.01886	1.6
201.05569	1.0
202.02640	1.1
203.03477	1.9
209.08099	1.2
210.08539	1.5
211.03998	1.2
211.08699	0.8
213.05568	0.8
214.02733	1.4
215.03519	2.4
216.04080	0.7
217.05016	0.9
225.05539	1.1
226.02699	1.9
227.03529	8.4
228.04169	1.6
229.01305	1.8
229.05046	1.8
230.02193	6.0
231.02843	1.4
241.05049	0.7
243.02998	2.5
244.03769	3.6
253.05299	0.9
255.03006	1.8
257.04541	1.4
258.01688	18.4
259.02448	10.4
260.03094	0.7
269.04581	2.2
270.05225	3.1
271.02509	55.9
271.05927	4.0
272.03247	32.3
272.06296	1.2
273.03625	2.5
285.04086	1.7
298.01218	2.7
299.02020	2.8
300.02710	2.5
301.03613	4.2
304.02335	0.8
313.03641	1.9
337.07214	0.8
343.15598	0.6
343.21265	5.3
355.08521	0.6
379.08298	4.1
405.06329	1.0
409.89624	0.6
423.00330	6.2
423.07233	100.0
423.16827	5.1
424.07623	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	423.0725
Annotation	6-(3,4-Dihydroxyphenyl)-6a,12b-dihydro-3,10,11,12-tetrahydroxy-[2]benzopyrano[3,4-c]benzopyran-8(6H)-one
Peak:m/z	Relative Intensity
57.09384	0.7
59.01372	2.2
60.67824	0.9
71.01400	1.1
76.99337	0.9
80.48590	0.8
86.99559	0.8
93.03483	1.5
95.05052	0.8
96.96021	18.4
107.01437	0.8
109.02953	4.0
121.02906	0.9
123.04535	3.0
125.02418	1.8
137.02444	2.6
149.02489	1.2
151.03996	1.6
153.63326	0.7
159.04506	0.8
163.00351	0.8
171.04498	2.8
187.03973	1.9
193.01332	1.1
193.03041	1.1
199.04082	3.8
199.31093	0.7
212.50015	0.8
215.03525	11.9
226.02718	0.9
227.03450	2.0
230.02234	0.9
243.03003	13.5
255.03018	1.4
258.01727	6.6
259.02490	6.2
270.99200	2.4
271.02490	75.7
272.03232	20.5
273.03818	2.4
285.03888	1.8
291.18295	1.4
297.00320	1.1
298.01352	1.8
298.98569	1.3
299.01907	5.3
299.99228	1.3
300.02753	1.2
301.03506	3.5
304.02362	1.2
309.00528	0.9
311.02032	2.3
313.03662	1.5
321.00510	1.2
323.01785	1.0
333.00421	0.9
343.21393	2.3
376.99481	1.7
393.78439	0.9
422.99979	59.4
423.07202	100.0
423.16769	9.3
423.27560	3.0
424.00366	6.5
424.07498	9.7
424.16919	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0936
Annotation	Hypericophenonoside
Peak:m/z	Relative Intensity
55.01859	0.7
59.01383	4.8
59.40776	0.5
63.73165	0.4
67.01875	1.0
68.99831	0.5
69.69205	1.9
69.69559	0.9
71.01391	6.5
73.02936	2.7
76.95998	0.4
79.01884	1.0
79.73607	0.6
81.03434	0.5
83.01382	1.2
85.02974	3.3
87.00872	0.7
89.02431	2.0
95.01396	2.6
96.96008	0.7
97.02963	0.7
97.16486	0.5
99.00886	1.4
101.02457	4.0
107.01390	6.7
108.02189	6.1
109.02252	0.9
109.02959	16.3
111.00903	2.9
113.02470	2.8
115.92088	0.9
116.63952	0.5
123.00896	14.0
124.01664	2.0
125.02455	32.8
126.02791	0.8
127.00381	1.1
127.87358	0.5
136.98868	0.9
139.00368	4.9
140.01164	4.1
141.01938	2.0
151.00372	10.4
151.03957	0.7
153.01921	0.7
161.04530	0.8
168.00659	3.6
169.01434	41.1
170.01744	0.6
211.02541	0.9
225.00836	0.8
250.14722	0.5
273.19626	0.5
312.59387	0.7
313.05643	7.7
363.16559	2.1
423.09360	100.0
423.18710	4.6
424.09653	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	423.0936
Annotation	Hypericophenonoside
Peak:m/z	Relative Intensity
55.01904	0.6
59.01378	2.2
67.01896	0.8
69.03444	1.0
69.11752	2.5
69.12187	2.4
69.90954	0.6
70.75215	0.6
71.01382	3.9
71.11782	0.6
72.99300	1.3
73.02944	1.8
79.95747	5.0
80.96526	3.6
81.03470	1.3
83.01418	1.0
85.02951	4.7
95.01394	2.6
96.96015	78.0
97.02992	0.8
98.55412	0.6
99.00912	0.8
99.04488	0.7
101.02444	2.2
107.01401	6.1
108.02166	6.4
109.02959	16.1
110.00085	0.8
111.00888	2.1
113.02496	1.5
123.00893	14.5
125.02457	32.5
126.02825	1.3
127.00409	1.3
127.03976	0.7
136.99147	4.2
137.02428	0.9
138.97087	4.7
139.00389	4.8
140.01178	3.8
141.01955	2.0
149.02475	0.7
150.03265	0.7
151.00377	9.5
151.04004	1.8
153.02065	0.6
164.01147	0.7
164.98619	2.2
168.00615	3.0
169.01433	39.9
170.01796	0.9
177.02097	0.8
182.02249	1.3
197.04578	1.7
211.02525	0.8
225.00754	55.3
226.01045	1.2
255.03032	1.3
285.04025	0.7
302.49472	0.6
313.05597	9.0
329.46497	0.7
394.69727	0.7
423.09476	100.0
424.09921	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	6.2
59.01382	6.7
71.01381	2.5
71.29721	1.4
82.89767	0.9
83.01368	1.0
83.23843	1.1
84.14094	0.9
85.02937	2.4
89.02455	1.5
93.03455	1.2
96.96038	1.2
99.04527	2.6
101.02443	3.7
108.02169	1.4
109.03011	1.2
111.04506	3.1
113.02462	2.0
120.99641	3.9
121.02963	2.9
123.04505	1.7
125.02467	1.9
125.06091	2.8
135.04530	17.7
137.02458	6.7
139.03995	1.3
141.96249	1.0
145.02910	1.2
149.02452	40.2
150.02817	2.0
151.04066	1.3
161.04546	1.2
163.03999	1.3
164.04803	100.0
165.01949	35.9
165.05151	4.7
166.02333	1.2
170.57280	1.1
173.10043	6.4
179.07141	73.6
180.04292	28.9
180.07494	4.3
181.04929	1.4
195.06638	66.6
196.06966	3.7
197.04546	3.6
200.94904	1.2
209.08298	1.3
211.06100	1.1
223.09636	1.4
224.83295	1.1
239.05589	3.5
242.99500	1.2
270.98816	1.2
298.98264	2.3
299.99097	1.7
361.20111	1.4
405.15601	1.5
423.00012	2.6
423.20871	13.6
424.20700	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22321	1.5
57.03484	1.4
59.01379	2.1
61.36818	1.2
67.45824	1.1
71.01383	2.1
72.03355	1.2
79.95744	2.3
93.03477	3.7
96.96018	20.4
101.02455	1.4
101.25827	1.3
107.01394	1.6
109.02958	10.1
120.99660	1.3
121.02950	6.6
122.03763	14.6
123.00898	1.8
125.02470	12.2
133.02989	1.6
135.04576	2.2
136.01643	1.6
136.99123	2.9
137.02475	15.3
149.02457	46.0
150.03239	86.6
151.00420	4.4
151.04018	8.1
153.01920	2.9
164.04793	11.1
165.05577	100.0
166.05902	3.9
167.03441	1.5
169.01476	2.1
175.00409	2.2
175.03976	1.9
177.01974	2.3
178.99895	2.9
179.03496	21.6
179.07085	1.7
180.04295	7.4
180.99675	1.6
181.04907	2.0
182.02228	2.5
194.05856	19.7
195.06631	62.0
196.06947	2.4
199.03845	1.8
208.99121	8.1
209.08191	23.5
219.02945	1.2
224.11449	1.2
225.00749	10.6
227.09270	4.1
243.03021	2.3
246.98988	1.8
255.03088	8.0
256.03860	1.3
257.04578	1.8
260.23044	1.4
261.03967	1.4
283.02457	4.1
285.04019	2.4
287.07825	1.9
301.03799	1.5
301.07214	3.2
317.01224	3.0
331.12076	6.0
375.14496	33.0
376.14880	4.3
423.00006	1.3
423.07272	11.4
423.16895	1.6
435.16595	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	1.6
57.25132	1.4
59.01371	4.2
69.39015	1.4
71.01386	2.5
93.03473	4.6
95.01394	2.1
95.05041	1.9
95.13239	1.4
96.96030	10.8
97.34086	1.5
107.01382	2.8
108.02180	2.8
109.02962	35.6
110.03357	1.8
121.02965	6.2
122.03774	12.2
123.04556	1.8
125.02457	20.9
133.02969	3.3
137.02457	16.0
149.02452	56.4
150.03241	84.2
151.00407	3.7
151.03822	4.5
152.04762	4.3
153.05568	1.8
161.02472	1.9
164.04837	14.4
165.05579	100.0
166.05933	3.8
167.03500	2.4
168.00667	2.1
169.01439	13.3
175.03978	2.1
177.01926	1.9
179.03471	2.9
180.04277	5.3
194.05836	2.2
195.06630	51.4
196.06958	3.1
197.04454	1.8
209.08128	2.4
212.06905	10.6
225.00746	5.4
227.09273	26.3
243.03018	3.8
243.06514	2.0
255.03049	6.4
257.04486	1.7
269.91995	1.3
283.02411	3.0
285.03970	2.2
296.06711	1.7
300.10217	7.0
303.08521	1.5
313.05698	12.4
315.12372	7.9
317.01285	3.1
356.90079	2.1
375.14478	39.7
376.14767	4.3
405.02542	2.3
423.09540	21.4
424.09418	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	423.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.9
61.32857	0.8
69.04739	7.0
71.01389	1.1
79.95747	1.2
80.42506	0.9
93.03465	3.7
95.05047	1.0
96.96021	46.1
109.02985	4.6
123.04546	4.7
125.02475	2.1
137.02478	5.6
139.02919	1.0
143.07158	3.4
151.04013	2.2
171.04504	4.3
185.54918	0.8
187.04051	1.6
199.03992	5.0
215.03496	14.9
227.03568	2.8
228.03946	1.0
243.02979	15.5
244.03447	1.5
244.42047	0.9
255.02930	1.5
258.01636	6.1
259.02505	5.6
269.17673	0.9
271.02493	80.7
272.03168	26.0
273.03629	1.8
281.21127	1.7
283.19125	4.3
285.04071	2.3
293.00928	1.2
298.01270	2.5
299.01941	7.2
299.99136	1.9
300.02493	1.0
301.03580	3.6
304.02325	1.8
309.00299	1.1
311.01846	1.8
313.03476	2.4
327.98901	1.0
339.01279	1.3
343.00790	1.4
343.21146	6.5
376.99515	2.1
423.00015	45.7
423.07217	100.0
423.16071	18.4
423.27460	6.2
424.00391	7.0
424.07553	15.3
424.16797	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.17
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27816	0.5
59.01379	0.9
69.65049	1.0
69.65432	1.2
75.23523	0.5
79.95747	11.9
92.04879	0.5
96.96017	100.0
111.08143	0.7
143.07169	3.3
151.11316	0.8
165.12825	0.6
169.12315	0.8
181.12350	0.7
181.85002	0.7
199.13469	1.1
200.86826	0.7
263.20206	0.8
271.02496	0.9
289.18161	0.7
307.19098	1.9
325.20224	6.1
343.21283	18.7
344.21579	1.3
423.00186	4.0
423.16965	77.5
424.00311	0.9
424.17249	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	423.17
Annotation	Melicobisquinolinone B
Peak:m/z	Relative Intensity
50.27816	0.5
59.01379	0.9
69.65049	1.0
69.65432	1.2
75.23523	0.5
79.95747	11.9
92.04879	0.5
96.96017	100.0
111.08143	0.7
143.07169	3.3
151.11316	0.8
165.12825	0.6
169.12315	0.8
181.12350	0.7
181.85002	0.7
199.13469	1.1
200.86826	0.7
263.20206	0.8
271.02496	0.9
289.18161	0.7
307.19098	1.9
325.20224	6.1
343.21283	18.7
344.21579	1.3
423.00186	4.0
423.16965	77.5
424.00311	0.9
424.17249	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	423.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90569	9.6
59.01368	14.8
63.96228	9.4
71.01385	26.5
85.02966	10.4
96.96031	53.6
108.02209	19.4
109.02956	42.4
111.00905	20.0
117.62994	9.3
120.99655	8.8
123.01054	8.4
123.04536	27.8
125.02468	50.6
125.09706	18.7
134.58893	9.5
137.02469	12.4
149.02512	13.5
150.03249	10.6
151.00377	12.9
151.04019	15.9
152.01123	24.9
163.02544	8.9
165.01968	10.4
165.05592	13.1
167.03497	78.8
169.01448	16.8
187.09799	14.9
208.99226	13.8
225.00793	28.5
240.04259	9.9
243.03036	26.5
255.03014	39.5
256.03677	15.1
272.08896	9.4
283.02377	19.0
311.07727	55.2
335.06027	27.3
364.76791	9.6
423.00455	16.6
423.07880	100.0
423.18179	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	6.4
61.60807	1.9
68.99808	2.0
69.18145	1.7
71.04987	1.6
71.28276	1.7
71.28678	2.0
73.02946	14.2
74.74870	1.7
76.93176	1.4
78.95952	1.6
79.46038	1.3
83.05032	2.9
85.02956	5.3
85.06588	9.2
87.04520	17.5
97.06595	2.4
99.08161	10.3
101.06110	3.9
108.69335	2.0
109.06609	5.4
111.03748	2.3
111.04527	48.4
113.06098	3.2
115.07701	3.0
121.02942	1.7
121.06664	1.8
124.01695	3.9
125.06089	33.9
125.09705	2.3
127.07615	1.8
137.09760	6.1
139.03984	2.7
139.07677	6.7
139.11253	1.8
147.08199	1.8
151.03998	5.3
153.09280	2.0
155.07178	3.1
155.10757	9.4
155.22011	1.5
165.09236	2.5
167.07210	2.2
167.10754	1.7
173.06000	1.9
179.07144	7.9
179.14433	17.6
180.14709	2.1
181.05164	2.3
181.08675	2.1
183.32133	1.6
187.04698	1.7
193.08783	6.2
193.12444	1.7
195.06631	11.8
197.15488	2.8
209.08307	2.3
221.08200	2.0
222.09065	10.4
223.09621	1.8
226.08505	4.5
237.11435	4.6
241.14456	50.6
242.14836	4.3
249.18620	4.8
267.19672	2.5
295.15396	2.6
310.24524	1.8
311.18527	1.7
351.22003	4.5
361.20352	3.6
377.19897	4.5
379.21304	43.4
380.21722	5.1
405.19177	100.0
406.19931	7.9
406.28268	1.8
422.99942	1.9
423.24045	93.2
423.32889	9.7
424.24374	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	423.2031
Annotation	Nigakilactone H
Peak:m/z	Relative Intensity
57.03440	1.5
69.59423	3.4
69.59799	1.3
71.01388	0.9
75.00891	4.5
76.03255	0.8
76.19659	0.6
81.67990	0.6
83.05041	0.7
87.04523	3.8
93.03484	0.8
95.05051	2.1
95.35197	0.6
96.96015	1.9
97.06576	0.8
98.21812	0.9
99.00883	1.8
101.02444	0.9
101.06123	0.7
105.03485	2.3
108.02190	2.3
109.02971	1.0
111.04525	16.9
112.04811	0.7
122.03757	2.3
123.04533	2.7
123.08118	0.8
125.02456	1.8
125.06088	2.0
135.08191	2.0
137.06053	1.3
139.04033	2.3
140.04813	2.3
149.06100	0.8
151.07632	0.9
163.07651	0.9
165.05553	5.5
171.06653	5.0
177.05528	1.1
179.07152	7.3
181.05144	1.0
181.08667	0.7
190.06393	1.0
191.07159	2.0
192.07936	21.3
193.04971	0.9
193.08475	1.4
195.06625	2.9
197.08331	0.7
199.06174	3.6
208.07416	13.1
209.08040	2.5
212.06874	5.4
212.83200	0.7
215.14375	0.8
218.05956	0.9
219.06747	0.8
231.13831	0.9
240.06230	0.7
241.11986	0.8
250.08386	3.0
259.13461	1.0
263.12949	1.1
297.07590	0.7
319.19272	1.2
347.18539	8.6
348.19156	1.1
349.16739	0.8
349.20520	0.9
363.18198	12.3
364.18646	1.9
365.19696	0.8
373.16641	1.7
379.21265	1.1
391.17545	1.5
423.00027	2.3
423.20313	100.0
424.20697	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	423.2027
Annotation	Nigakilactone H
Peak:m/z	Relative Intensity
52.21077	1.2
57.03456	7.0
61.76074	1.2
66.67389	1.3
69.18095	7.0
69.18501	2.3
71.01402	1.6
71.05031	2.4
73.02940	1.4
77.75703	1.2
83.05026	1.8
85.02927	1.6
87.04527	6.1
90.10720	1.2
95.05036	2.2
97.06615	3.2
99.04509	1.7
99.08156	4.2
101.06104	1.5
109.06642	2.7
121.49645	1.4
123.00895	1.5
124.01675	3.9
125.02404	1.8
125.06097	33.0
127.07619	1.4
134.03639	1.3
135.08183	3.0
137.02463	1.6
137.06108	1.6
137.09703	1.5
139.07634	4.2
140.04826	1.6
151.04031	7.2
155.10938	1.5
161.09799	1.8
165.09126	1.7
166.02628	1.4
167.10956	1.1
173.07898	1.2
179.07156	9.2
181.05032	2.8
183.06644	2.6
183.56407	1.1
193.07028	2.2
193.08690	13.2
195.06659	14.8
198.63705	1.3
207.06702	2.3
207.88173	1.2
209.08151	2.3
210.05220	1.4
222.08958	14.8
223.09418	1.2
224.10504	2.2
225.14839	1.2
226.08495	7.9
241.14374	3.4
250.08513	3.0
253.14561	1.9
277.14563	2.0
295.15527	3.0
323.22192	1.5
335.22528	1.6
351.21744	4.6
361.20340	2.3
377.19644	3.8
379.21292	39.8
380.21460	5.3
391.17575	3.9
398.46436	1.4
405.19202	100.0
406.19598	8.7
407.29523	1.5
423.20438	3.7
423.33081	16.9
424.33212	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	423.203
Annotation	Nigakilactone H
Peak:m/z	Relative Intensity
50.68971	0.5
57.03462	0.5
59.01387	0.6
62.51977	0.5
68.99811	0.6
70.36897	0.5
71.01383	0.6
71.05044	1.3
75.00872	4.4
83.05061	0.6
85.02953	1.0
87.04514	2.6
93.03477	0.9
95.05040	1.5
97.02993	0.8
98.22523	1.4
101.06098	2.0
105.03468	3.1
108.02185	2.6
109.02958	1.6
109.06604	0.7
111.04535	15.7
113.06097	0.7
115.04103	0.7
121.02995	0.8
122.03731	4.3
123.04514	3.1
125.02464	3.9
125.06084	3.4
127.07663	2.3
133.06577	0.8
135.08176	1.6
137.02393	1.2
137.06105	1.6
137.09694	0.6
139.04034	1.1
140.04832	3.8
146.81601	0.6
149.02440	0.9
150.03207	0.6
151.07678	0.8
155.07159	0.8
163.07704	0.7
164.08492	1.0
165.05582	7.7
169.08751	1.9
171.06636	5.9
176.56514	0.6
177.05635	1.4
178.06308	0.9
179.07158	7.3
181.08719	1.1
187.07794	0.6
189.12897	0.6
190.06357	0.9
191.07220	1.7
192.07939	31.2
193.05110	2.2
193.08464	2.5
195.06636	3.3
197.08272	0.7
199.06168	2.4
203.10735	0.6
208.07413	14.3
209.08131	3.1
212.06889	7.4
215.14465	1.7
225.07753	0.7
229.10948	0.6
230.09550	0.6
237.07718	0.7
240.06493	0.9
241.12338	0.7
250.08414	0.6
259.13324	1.3
263.13016	0.9
277.14273	0.6
303.19696	0.9
305.14096	1.7
319.19147	0.6
347.18707	12.3
348.19064	0.9
351.17984	1.0
363.18161	14.3
364.18634	2.3
379.21368	0.7
391.17776	3.1
423.20358	100.0
424.20700	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	423.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	7.9
57.03442	4.2
58.00577	2.1
59.01095	2.1
59.01384	41.7
64.18002	1.0
67.85976	0.8
68.99827	1.2
69.03466	1.8
71.01387	74.2
71.28931	1.0
72.01723	1.1
72.99314	3.0
73.02951	39.5
75.00903	1.1
80.62747	0.9
83.01395	13.8
85.02958	39.0
86.00119	1.7
86.03373	1.1
87.00869	5.1
89.02450	16.9
91.28599	0.9
95.01377	4.9
95.19370	0.9
97.02971	3.7
98.31229	0.9
99.00891	13.9
101.02450	66.4
102.02805	2.3
108.99657	0.9
109.02971	1.8
111.00907	3.2
113.02462	27.4
115.04031	2.2
119.03490	1.6
125.02426	5.4
131.03513	3.7
143.03540	4.5
149.02431	1.5
149.04581	3.2
159.02956	5.0
161.04559	28.2
164.04819	3.7
169.01468	1.4
179.07166	2.9
181.08769	2.2
183.06502	0.9
191.05707	1.0
195.06685	2.8
209.08205	2.2
233.06653	2.2
252.60657	1.1
291.18158	100.0
292.18417	8.4
315.05539	1.0
422.99841	3.8
423.22397	76.8
424.22702	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	423.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81443	0.4
52.92382	0.4
55.01644	0.6
55.01883	6.2
57.03452	4.5
57.82893	0.4
58.00591	1.5
59.01381	33.0
62.65744	0.4
68.99819	0.5
69.03442	1.3
71.01386	55.8
71.05011	0.6
71.28896	0.6
72.01720	0.7
72.99319	2.2
73.02953	25.7
74.31282	0.3
75.00886	1.2
81.03484	0.6
83.01391	13.3
84.02168	0.7
85.02956	29.8
86.00110	2.6
86.03326	0.4
87.00881	3.3
89.02460	9.0
89.37338	0.4
95.01389	3.9
97.02957	2.5
99.00885	12.0
100.01202	0.4
101.02451	59.7
102.02821	1.2
108.02212	0.5
111.00868	1.8
113.02460	22.1
114.02794	0.7
115.04049	1.2
125.02444	3.2
127.11336	1.1
129.01945	1.4
129.12865	1.1
131.03531	2.3
143.03485	2.7
149.04570	1.2
159.03000	5.6
161.04568	27.0
162.04912	0.6
191.05611	0.7
199.13380	0.6
205.03523	0.9
217.05159	0.5
229.14294	0.5
233.06616	1.3
233.08517	0.7
261.07678	1.2
289.54553	0.4
291.18146	100.0
292.18503	6.6
335.16998	0.6
370.65146	0.4
423.22400	39.5
424.22641	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	423.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	4.8
57.03452	3.4
58.00593	1.1
59.01380	25.0
65.53697	0.4
68.99805	0.5
69.03445	1.1
71.01387	42.4
71.29229	0.6
72.01692	0.5
72.99316	1.8
73.02951	16.7
75.00867	1.0
76.35339	0.4
83.01392	11.3
85.02956	24.0
86.00088	1.4
87.00894	2.1
89.02451	5.6
95.01386	3.0
97.02941	1.8
99.00887	8.7
101.02447	44.6
102.02792	0.8
111.00876	1.4
111.04490	0.5
113.02457	18.3
114.02751	0.6
119.03450	0.4
124.01665	0.4
125.02441	2.0
127.11269	0.5
129.01933	1.6
129.12881	0.4
131.03499	1.3
143.03490	2.4
149.04620	0.4
159.03017	4.1
161.04567	19.8
162.04800	0.4
171.56561	0.4
181.08658	0.5
197.23325	0.4
205.03497	0.5
210.90254	0.4
269.36926	0.4
291.18146	100.0
292.18472	6.9
335.17218	0.6
422.99918	0.8
423.07077	0.7
423.15247	0.8
423.22363	6.6
424.23047	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3271
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
50.68771	0.7
71.27404	0.8
91.17349	0.7
128.53108	0.7
198.14330	0.8
205.15977	100.0
206.16310	6.3
423.00204	1.0
423.32715	71.1
424.33032	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	424.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.2
57.03445	3.8
59.01382	16.8
64.08463	1.1
65.03955	1.5
67.01900	1.8
69.03476	1.5
71.01390	15.9
73.02954	7.3
74.99102	6.4
83.01395	7.8
83.04996	1.3
85.02947	8.2
87.00865	3.1
89.02439	7.6
91.01870	1.3
93.03447	1.5
95.01404	2.3
95.05029	1.2
96.96015	3.8
97.02965	3.1
98.76575	1.1
99.00908	3.7
101.02452	19.0
107.05045	4.2
108.02178	2.1
109.02959	18.3
111.00891	1.6
113.02440	8.4
119.03535	2.2
119.05052	1.8
121.02994	1.7
122.03728	1.6
123.00909	1.9
123.04539	10.8
124.01620	1.7
125.02454	18.6
126.02782	1.3
131.03529	1.3
131.05035	1.5
132.02200	1.5
133.02998	4.1
135.04527	1.6
136.01689	1.7
137.02460	14.3
145.02931	1.4
145.06630	1.2
149.02446	5.5
149.04504	1.4
150.03171	2.3
151.04031	23.1
153.81053	1.0
154.54916	1.0
159.04523	2.7
161.02496	5.3
161.04572	6.2
161.06062	2.0
163.04039	5.8
169.01476	1.5
171.00972	1.3
172.01680	4.8
175.04018	20.1
177.01936	10.7
185.02481	2.9
187.04010	11.1
188.04825	2.0
189.01909	1.7
189.05586	2.1
193.05098	2.8
194.38570	1.3
195.06689	1.4
199.03873	1.3
200.01144	3.1
201.01892	1.5
201.05623	1.5
205.05075	4.2
207.06502	1.1
211.04042	4.0
213.02019	1.5
213.05566	4.2
214.02713	1.7
215.03476	3.1
216.00673	4.0
217.05124	2.3
219.03032	1.7
225.05612	1.1
226.99933	1.5
227.03551	4.4
228.00639	5.5
228.04143	1.8
229.01472	2.7
229.05075	8.7
231.03236	1.3
235.11858	22.4
242.99472	1.7
243.02965	6.0
244.00131	6.1
245.00978	1.7
245.04469	1.4
247.06087	1.9
253.05061	1.8
255.02977	20.8
256.03793	9.6
256.43918	1.2
257.04578	3.2
259.09915	1.1
269.04636	1.9
270.98795	7.2
271.99579	5.1
273.04050	9.9
281.04477	5.5
282.98849	3.6
283.02460	3.2
283.99521	2.5
284.02939	1.2
284.13037	3.5
285.04053	6.0
288.02710	1.7
293.15866	6.7
298.98312	13.5
299.99130	76.6
300.99902	74.0
305.06808	1.6
315.08826	1.2
339.08630	11.0
379.15903	1.5
381.10251	5.7
381.17618	30.2
382.18076	3.4
407.07706	100.0
424.09625	2.2
425.01453	5.1
425.08896	9.1
425.19727	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	424.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
64.85449	5.5
66.84502	5.4
69.14616	35.4
69.15018	12.4
71.01383	74.9
72.54572	5.5
73.02958	33.3
74.99155	7.1
79.11106	6.5
83.01376	13.7
85.02947	40.0
87.00848	9.1
89.02447	20.2
99.00891	14.1
101.02435	64.3
108.02219	5.8
109.02953	12.9
113.02468	32.5
119.03500	6.7
125.02491	14.4
128.36157	5.3
139.47298	5.9
151.04028	11.1
161.04567	28.8
163.03943	8.5
173.96275	5.8
175.03928	8.2
228.04356	6.1
235.11884	75.8
293.16010	25.1
298.98297	8.3
299.99130	27.1
300.99811	26.9
365.17996	11.4
381.17746	83.8
407.07788	32.1
425.08524	6.7
425.14816	7.9
425.20236	48.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0156
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.5
69.48669	2.2
71.01385	3.0
73.02944	0.8
75.12583	0.6
83.01391	0.9
85.02962	1.1
85.81757	0.4
87.00877	0.7
89.02438	1.7
89.90514	0.4
90.33192	0.5
95.01385	0.5
96.96004	0.6
97.02955	0.8
99.00896	0.5
101.02456	2.1
109.02965	1.2
113.02431	1.4
117.03512	0.5
119.01377	0.6
123.00926	0.7
123.04515	0.8
125.02467	2.0
132.02165	0.7
133.02951	0.6
137.02432	1.2
144.02177	0.7
145.03011	1.1
147.04495	0.4
151.04005	1.8
160.01634	1.3
161.02470	0.6
161.04579	1.6
162.10120	0.5
163.04086	0.4
172.01671	7.3
173.02370	1.7
175.04039	1.3
176.01147	0.6
177.01926	0.9
185.02470	1.7
187.00262	0.8
187.80692	0.6
188.01064	1.4
199.00352	1.1
200.01181	2.9
201.02025	2.5
216.00652	6.1
217.01280	0.5
226.99841	1.8
228.00621	5.7
229.01395	3.9
229.05049	0.8
242.99406	2.2
244.00146	7.5
245.00806	1.8
254.99362	0.9
255.03012	0.9
256.03726	0.5
257.00967	1.5
270.98883	9.3
271.99652	7.2
272.99994	0.7
273.04065	1.0
282.98862	4.6
283.99670	3.1
284.12897	1.5
293.15973	2.3
298.98349	17.7
299.99121	93.1
300.99875	100.0
302.00238	6.7
358.50110	0.5
379.16147	0.5
381.09781	0.7
382.17972	1.0
407.07748	4.6
408.07971	1.0
425.01627	7.6
425.19809	1.9
426.01392	1.0
428.43259	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0154
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98818	0.3
69.00983	1.5
69.01389	0.7
74.83922	0.3
82.35242	0.3
96.96012	1.1
98.22737	0.3
104.02666	0.4
119.01408	0.4
125.02444	0.6
132.02170	1.1
133.02985	0.4
134.04712	0.9
135.01108	0.3
142.74689	0.3
144.02182	1.4
145.02951	1.1
147.00893	0.5
148.01756	0.4
157.02887	0.6
160.01654	1.8
163.03990	0.4
163.74176	0.3
167.94139	0.4
171.00914	0.4
172.01689	6.7
173.02301	1.3
176.01178	0.6
184.01814	0.3
185.02525	2.4
187.00369	0.8
188.01160	1.5
199.00410	1.1
200.01129	4.7
201.01921	1.6
213.01973	0.4
214.99911	0.9
216.00642	7.5
217.01167	0.7
226.99898	1.9
228.00624	5.2
229.01437	3.2
236.02701	0.3
237.02734	0.4
242.99347	3.0
244.00134	7.4
245.00786	1.3
254.99380	1.1
256.00009	0.4
257.00934	1.6
270.98859	8.6
271.99628	6.3
273.00110	0.4
282.98874	5.8
283.99667	3.3
285.00317	0.5
298.98352	15.8
299.99124	100.0
300.99872	82.6
302.00250	5.7
418.74487	0.4
425.01529	29.9
426.01944	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0154
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42911	0.7
59.28461	0.7
77.86340	0.6
96.96027	2.4
109.76011	0.8
132.02220	1.3
135.17444	0.8
144.02203	2.1
160.01634	1.3
172.01678	8.8
173.02461	1.7
185.02426	1.2
188.01102	0.9
200.01158	4.5
201.01932	1.6
215.00008	1.0
216.00665	6.1
226.99800	0.9
228.00630	6.1
229.01291	1.6
242.99374	2.4
244.00146	8.2
245.00710	1.2
270.98895	7.7
271.99609	8.5
282.98828	5.4
283.99588	8.6
285.00308	5.6
298.98386	23.6
299.99127	100.0
300.99866	64.4
302.00201	3.5
406.02420	0.8
425.01474	25.4
426.01688	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	425.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	80.6
60.01725	0.8
63.53451	0.4
64.61795	0.4
64.66823	0.4
68.00574	0.4
71.27100	0.5
73.18735	0.4
74.34725	0.4
82.61709	0.4
113.04684	0.4
115.02525	0.6
141.99969	3.7
157.03604	5.7
159.01506	3.1
183.05127	0.5
184.01024	2.1
184.84906	0.4
201.02568	100.0
202.02721	7.3
283.02005	0.4
284.01111	4.3
288.56100	0.5
343.03748	20.3
344.03894	3.4
361.01801	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
69.22343	14.7
98.21821	2.5
99.48569	2.2
112.04070	2.6
113.03558	5.4
160.43494	2.1
202.68103	2.2
269.98053	21.3
277.86984	2.9
285.00455	16.1
291.45724	2.2
297.97586	63.9
298.00922	3.9
298.98062	7.3
299.99173	10.8
300.99869	9.5
312.99939	90.1
314.00357	7.5
328.02258	77.8
328.05618	1.6
329.02597	4.1
343.04605	100.0
344.04941	8.8
425.01730	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	425.073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.9
59.01377	3.5
67.01898	1.3
68.47732	0.8
68.99792	1.0
69.03451	1.2
69.45679	3.8
69.49721	1.0
71.01386	7.0
73.02975	0.9
74.16385	0.8
74.76816	0.8
78.16087	0.9
78.19251	0.9
79.01875	1.1
81.03473	1.0
83.01383	3.0
83.30746	0.9
85.02961	1.7
87.00878	1.0
91.01885	0.9
95.01383	1.5
95.79831	1.0
96.96030	2.9
97.02950	2.6
98.95599	2.6
101.02478	2.1
107.01399	11.4
107.05019	2.4
109.02966	9.6
111.00892	8.3
113.02450	1.8
119.05020	1.3
121.02995	1.2
123.00892	10.4
123.04520	6.6
124.01705	2.0
125.02463	82.7
126.02790	1.7
127.00361	1.7
131.05045	1.7
133.02951	2.0
136.98833	0.9
137.02455	6.2
139.00369	4.9
140.01158	2.0
149.02464	2.4
149.06111	0.9
149.13026	0.9
151.00406	8.1
151.04018	11.9
154.05728	0.8
159.04498	1.5
161.02478	1.7
161.06059	1.1
163.03981	2.9
168.00671	2.3
168.23523	0.9
169.01445	100.0
170.01707	3.3
175.04031	10.6
177.01973	5.7
187.04015	4.4
191.03387	1.0
203.03473	1.2
204.81500	0.9
205.05077	1.9
211.02359	1.6
213.05598	1.6
214.02673	0.9
215.03433	2.0
217.05113	1.9
227.03525	1.9
228.04335	1.2
229.05020	4.3
231.06535	0.9
237.98407	0.9
241.03482	3.7
243.02888	1.7
255.02963	9.1
256.03772	4.9
273.04068	3.9
281.04504	3.7
283.02380	1.8
285.04016	1.7
298.98325	1.4
299.99045	3.3
300.99878	3.4
313.05679	44.0
314.05960	3.2
315.08722	1.3
339.08801	5.4
381.09821	3.4
397.07870	1.1
407.07703	40.3
408.08133	4.3
425.07275	98.9
426.07590	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	425.0878
Annotation	Epigallocatechin 3-O-(4-hydroxybenzoate)
Peak:m/z	Relative Intensity
57.03452	2.5
59.01383	1.0
65.00328	0.7
65.03964	1.9
67.01895	1.4
69.03452	1.0
71.01399	0.9
73.02936	0.2
77.48885	0.2
81.03466	0.9
81.50686	0.3
82.30740	0.2
83.01390	6.5
83.01849	0.5
83.05042	1.3
85.02969	0.4
89.02428	0.6
89.03986	1.2
91.01907	0.7
92.61842	0.3
93.03455	1.3
95.01411	0.8
95.05043	1.2
96.96017	1.2
97.02948	1.8
98.95576	1.3
101.02468	0.5
103.05553	0.4
105.03481	0.9
106.49772	0.3
107.01445	0.7
107.05038	6.1
108.02197	1.9
109.02962	22.0
110.03333	0.4
111.00899	0.8
113.02450	0.4
115.05589	0.3
117.03477	0.8
119.03548	0.5
119.05030	1.4
121.02962	2.5
121.06651	0.6
122.03780	1.0
123.00893	1.1
123.04536	14.7
124.01690	0.7
125.02457	23.6
126.02797	0.9
130.04274	0.8
131.05035	3.9
133.02979	4.9
135.00877	0.5
135.04512	1.9
136.01675	0.7
137.02457	22.8
138.02864	0.4
139.04010	1.3
143.05045	1.1
145.02969	1.2
145.06636	0.9
146.03773	0.6
147.04544	1.6
148.01674	0.5
149.02461	6.7
149.06102	0.9
150.03226	1.2
151.04024	27.1
152.04411	0.9
153.01990	0.5
155.04984	0.3
157.02913	0.3
157.06674	0.6
158.03746	0.6
159.04517	3.6
160.04996	0.3
161.02457	5.7
161.06088	2.2
162.03188	0.5
163.00371	0.3
163.04024	7.0
164.01176	0.5
164.04362	0.3
165.01912	0.6
165.05589	0.3
167.03467	0.3
167.04926	0.4
169.01450	6.5
169.06578	0.4
171.04581	0.6
172.05232	0.5
173.02393	0.4
173.06125	0.8
174.03233	1.1
175.04016	27.0
176.01173	0.4
176.04369	1.3
177.01939	13.8
177.05489	1.6
178.02277	0.7
182.03674	0.3
183.04536	0.7
185.02489	0.4
185.06070	1.7
186.03215	0.5
187.04027	15.8
188.04784	2.1
189.01945	1.8
189.05592	2.5
190.02693	0.8
191.03546	1.1
193.05054	3.1
199.03975	1.9
200.04626	0.4
200.08479	0.3
201.02077	0.3
201.05632	2.0
203.03514	2.0
203.07106	1.3
204.04240	0.4
205.05043	4.7
209.06087	0.5
211.02139	0.3
211.04021	4.2
211.07565	0.3
212.04721	0.8
213.02101	0.6
213.05600	3.2
213.44519	0.3
214.02719	2.3
215.03516	4.9
216.04227	0.7
217.01561	0.5
217.05060	4.0
218.05264	0.3
219.03009	1.9
225.05586	0.8
227.00397	0.9
227.03465	4.4
227.07069	0.6
228.04298	2.8
229.01564	0.5
229.05058	9.8
229.08690	0.6
230.05688	1.2
231.03011	2.2
231.06642	1.8
236.03268	0.4
237.05595	0.8
241.05177	0.4
242.02158	0.3
243.02979	5.9
243.06721	0.6
244.03470	0.5
245.04567	0.3
247.06140	1.1
251.07027	0.4
253.05022	2.3
253.08887	0.7
255.02994	22.0
255.06398	0.8
256.03760	13.0
257.04541	5.7
258.04932	0.4
261.04074	0.6
269.04645	2.5
269.07391	0.4
271.06140	0.7
271.09833	0.6
273.04047	13.1
274.04590	1.3
279.06693	0.4
280.03952	0.4
281.04556	8.3
282.01770	1.2
282.05069	1.1
283.02588	3.5
284.03125	1.2
285.04074	5.6
286.04395	0.7
287.05652	1.0
288.02850	1.5
289.07312	0.3
295.09656	0.5
297.04071	2.3
297.07709	2.5
298.04861	0.7
298.08063	0.3
298.98227	0.4
299.05569	1.9
299.99219	1.8
300.99814	2.0
305.06812	0.4
313.05734	2.8
315.08774	2.0
321.07681	0.6
323.05826	0.4
337.10806	0.3
339.08740	15.2
340.09067	1.3
341.06790	1.4
357.09793	1.3
363.08850	0.9
375.20834	0.3
381.09824	5.2
381.14178	0.5
382.10141	0.4
383.07761	0.6
389.06610	1.7
407.07739	100.0
408.02518	0.3
408.08072	12.2
425.08286	12.4
425.20166	0.7
426.08704	1.2
445.05386	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0883
Annotation	Maggiemycin
Peak:m/z	Relative Intensity
57.03445	1.9
59.01371	1.0
65.00322	1.2
65.03962	2.1
67.01897	1.2
69.12511	2.6
71.48650	0.4
81.03465	0.8
81.99486	0.6
82.95408	0.5
83.01402	4.1
83.05057	0.9
89.03971	0.9
91.01885	1.3
93.03487	1.2
95.05035	1.0
97.02962	1.4
105.03472	0.8
107.05037	5.0
108.02205	1.5
109.02251	1.0
109.02963	18.2
117.03466	0.6
119.05038	1.0
121.02968	2.7
121.06632	0.6
122.03768	1.4
123.04538	16.4
124.01679	1.0
125.02461	10.2
127.95577	0.5
131.05043	2.9
133.02959	3.9
135.04497	1.5
136.01662	0.9
137.02457	5.9
139.04030	1.4
143.05023	1.6
145.02962	2.0
145.06615	1.4
147.04567	1.4
149.02451	6.3
149.06105	1.1
150.03218	1.4
150.87350	0.5
151.04018	28.3
152.04352	0.9
159.04518	2.5
161.02444	2.3
161.06065	1.5
162.03177	0.9
163.04021	5.3
165.01907	0.9
169.01451	1.2
173.02499	0.6
173.06050	0.8
174.03275	1.0
175.04010	22.6
176.04312	1.1
177.01947	12.7
177.05553	1.5
183.04535	1.0
185.06134	1.7
187.04008	11.7
187.05597	1.0
187.07617	0.8
188.04614	1.5
189.01976	1.2
189.05591	1.7
190.02730	1.2
191.03548	0.7
193.05075	2.1
199.04039	1.7
200.04643	0.5
201.05496	1.1
203.03516	1.8
204.04263	1.6
205.05060	4.5
211.04024	4.5
212.04645	2.1
212.06529	0.5
213.05614	4.0
214.02696	2.4
215.03468	3.8
217.01369	0.6
217.05023	3.2
219.03008	1.0
225.05533	0.7
227.03470	3.8
228.04260	2.8
229.05077	9.1
229.08580	0.6
230.05739	1.7
231.03021	1.3
231.06618	1.5
237.05544	0.7
243.02965	4.7
244.03455	0.7
247.06102	0.8
253.05032	1.8
253.08643	0.8
255.02991	20.0
255.06508	1.4
256.03729	11.1
257.04544	6.0
258.04700	0.6
259.06104	0.6
261.04050	0.7
264.04196	0.5
269.04483	2.5
271.09808	0.8
273.01221	1.1
273.04062	12.0
274.04474	1.5
281.04623	7.4
282.01688	1.7
282.04709	1.0
283.02539	3.2
284.03091	1.5
285.04068	5.8
288.02753	2.7
295.09912	0.6
297.04041	1.6
297.07648	1.6
299.05511	1.3
299.99106	0.8
300.99857	0.9
315.08820	1.8
321.07358	0.9
339.08731	15.4
340.09018	1.0
341.06784	0.6
357.10010	1.5
363.08798	1.1
381.09781	6.0
382.10162	1.2
389.06537	0.9
407.07730	100.0
408.03146	0.8
408.08099	10.5
425.01773	1.0
425.08627	11.0
426.09094	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21029	0.7
54.85804	0.7
57.03445	3.2
59.01365	1.6
61.98845	0.7
67.64543	0.8
69.03479	0.8
71.01396	0.9
71.29321	0.9
81.03462	2.4
83.01410	3.3
89.02467	0.9
93.03461	1.5
95.05029	2.5
96.96024	1.1
97.02950	3.5
108.02183	3.3
109.02962	86.5
110.03298	2.0
111.04509	0.7
113.02411	0.7
121.02979	2.8
122.03809	0.7
123.04542	9.2
124.01632	0.8
125.02463	23.4
135.04555	2.0
137.02460	12.1
139.04024	2.4
145.02960	4.6
146.03743	0.8
149.02498	3.9
151.04013	6.1
153.01949	100.0
154.02319	3.7
159.04532	2.3
161.02498	1.0
161.06117	3.2
162.03244	1.1
163.04126	0.9
164.01178	2.4
165.01923	3.4
167.03511	1.3
172.01688	3.0
175.04065	1.9
175.07677	1.8
179.03519	4.2
185.06116	1.8
187.03981	3.8
188.04738	1.9
196.07254	0.7
200.01108	1.5
201.01945	0.9
202.06401	1.1
203.07112	8.7
205.05072	5.1
206.92410	0.8
216.00555	3.5
221.08185	2.1
227.07150	1.7
228.00671	2.5
229.01396	1.2
231.03011	1.1
242.99394	0.9
244.00163	2.0
245.08206	10.8
247.06125	0.7
253.05072	1.8
270.98920	2.8
271.06110	5.4
271.99530	2.6
275.05850	0.7
282.98834	1.8
283.99576	2.1
289.07205	59.5
290.07654	4.9
298.98370	6.5
299.99121	36.9
300.99866	25.9
302.00253	1.7
340.84741	0.8
425.01620	7.4
425.09024	2.4
425.18497	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0917
Annotation	8-Deoxy-15-(3'-hydroxy-2'-methyl-propanoyl)-lactucin-3'-sulfate
Peak:m/z	Relative Intensity
50.72861	0.2
54.39299	0.2
69.17182	1.6
71.01412	0.3
71.24599	0.2
76.26365	0.2
79.95742	6.8
79.96227	0.3
80.96531	0.3
90.22979	0.3
96.96017	100.0
97.42356	0.2
98.95646	0.3
101.02454	0.2
103.51179	0.2
104.29250	0.2
108.02210	0.6
109.02952	0.7
110.97578	0.6
117.03510	0.3
120.99664	0.4
121.02952	0.4
122.03737	0.3
122.91844	0.2
123.04521	0.6
124.01674	0.2
125.02448	1.0
133.02957	0.3
135.04556	0.4
137.02446	1.1
148.05305	0.2
149.02420	0.7
150.03204	0.8
151.03961	0.6
159.04529	0.3
161.02451	0.3
164.04788	0.5
165.05551	0.7
172.01645	0.4
175.03998	1.0
177.01924	0.4
177.05560	0.3
179.07143	0.3
181.08710	0.3
193.08667	0.4
195.06311	0.2
209.08205	0.4
216.00671	0.4
219.02835	0.3
221.08189	0.5
227.03525	0.5
227.07088	0.3
228.00732	0.3
230.99478	0.3
240.04146	0.3
241.04857	0.4
244.00343	0.9
245.01193	0.7
255.06554	1.3
269.08148	0.8
283.09659	0.4
286.08435	0.6
287.09265	0.4
289.07346	0.4
298.98386	0.7
299.09509	0.3
299.99121	4.7
300.10031	3.7
300.99850	3.1
301.10721	1.5
302.00156	0.5
309.93842	0.3
312.09882	0.4
315.12311	2.7
327.12402	0.4
345.13318	1.5
349.08890	0.2
407.07681	0.4
425.09109	39.5
426.09515	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	425.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	19.8
59.01381	3.9
69.14084	3.2
71.01369	1.6
72.99305	0.7
75.44762	0.5
83.01392	0.9
85.02958	0.7
93.03449	1.2
97.03062	0.5
98.21700	0.4
99.04528	13.1
100.04888	0.4
101.02454	4.7
108.02133	0.4
109.02956	0.6
111.00921	0.5
113.02443	0.6
118.96373	0.4
119.05038	100.0
120.05369	3.2
123.00882	0.7
125.02447	8.6
137.02463	2.0
161.04562	0.5
168.00616	0.6
169.01431	1.5
172.01700	0.5
178.97472	0.4
191.27348	0.5
242.99265	0.5
245.00946	0.5
247.28116	0.5
259.46783	0.4
271.99789	0.7
298.98578	0.9
299.99066	6.2
300.99817	4.7
405.00595	0.4
407.07880	0.4
425.01019	2.0
425.14191	1.3
425.18823	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1855
Annotation	FR901483
Peak:m/z	Relative Intensity
59.01387	3.5
66.73628	0.4
69.66222	2.5
76.75274	0.5
79.95736	2.0
83.24215	0.5
96.96018	100.0
98.95605	2.3
99.77968	0.5
109.02956	4.6
241.31290	0.5
247.20616	0.5
265.21661	1.6
267.19730	2.0
283.19662	0.8
283.22757	10.0
284.23157	0.6
285.20731	25.0
286.21161	2.2
298.98520	0.9
299.99060	3.4
300.99966	3.2
327.21783	2.0
345.06198	1.7
345.22861	17.7
346.23126	2.0
355.21393	0.6
363.18604	2.9
365.16364	2.9
425.18524	64.6
426.18884	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	425.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36371	1.3
51.48215	1.2
55.01883	1.7
57.03455	3.3
59.01387	100.0
61.98825	2.1
69.03470	2.1
71.00986	1.9
71.01389	36.6
73.02962	12.6
74.99107	3.7
83.01380	8.5
85.02959	14.4
87.00903	4.6
89.02450	11.4
93.14725	1.5
95.01418	4.3
95.05039	1.4
97.02961	3.0
99.00901	5.1
99.72972	1.2
100.00418	2.3
101.02444	25.9
107.05029	3.4
108.02235	1.3
109.02962	10.4
111.04543	1.9
113.02464	15.2
119.03541	1.9
119.11786	1.4
120.99677	3.6
123.04565	6.5
125.02455	11.8
132.02251	1.8
133.02975	2.6
136.99142	1.5
137.02449	8.9
143.03568	2.4
144.03049	1.9
149.02469	1.2
149.04570	2.1
151.04019	12.5
159.02971	3.6
161.02477	2.9
161.04567	25.8
161.05934	2.9
163.04028	5.7
172.01642	3.0
175.04039	14.4
177.01964	5.4
187.04015	6.9
189.01884	2.3
191.03345	1.6
193.05089	2.3
195.06592	1.8
201.86742	1.7
203.03432	1.7
205.05180	2.2
211.04259	2.0
215.03552	2.5
216.00661	2.8
227.03358	2.0
228.00728	2.7
229.05060	3.8
231.03069	2.1
243.02966	3.8
244.00168	3.4
255.03053	11.5
255.35910	1.4
256.03748	5.4
257.04520	2.7
270.98935	3.8
271.99551	4.6
273.04074	5.5
281.04572	3.9
282.98953	2.6
285.04068	2.2
288.02609	2.3
293.16064	18.4
298.98355	8.0
299.99130	41.4
300.99878	46.0
302.00470	2.4
339.08621	6.8
365.18222	24.8
366.18524	2.4
379.04440	1.5
382.18268	1.9
407.07782	38.1
408.08023	5.3
425.01553	4.0
425.08795	2.7
425.20041	12.2
436.30936	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3063
Annotation	Dankasterone B
Peak:m/z	Relative Intensity
53.89381	0.3
56.28128	0.3
59.01380	0.5
69.03442	0.3
69.10721	0.2
71.05022	0.3
71.28203	0.3
72.99300	0.3
73.35382	0.3
80.28215	0.2
84.02164	0.3
97.06612	0.5
99.92587	0.4
109.02946	0.4
109.06608	0.7
111.04546	0.4
114.44186	0.3
121.06588	0.4
125.09718	0.6
127.07645	0.2
145.08783	0.4
159.08122	0.3
161.09715	0.3
165.05598	0.3
183.06566	0.5
187.09738	0.3
199.13377	0.3
235.13318	0.6
270.98712	0.3
298.98254	0.3
299.99005	1.2
300.99841	1.1
320.25870	0.3
343.15540	0.5
365.28366	0.9
367.30051	20.5
368.30411	2.3
369.62021	0.3
375.26913	0.3
379.30109	5.9
380.30338	1.0
381.28174	0.5
383.29559	0.3
393.27963	0.6
395.29517	0.8
397.31134	5.2
398.31448	0.8
407.29608	3.2
408.29712	0.5
410.28412	1.4
425.30618	100.0
426.30966	12.9
426.35617	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.0233
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03866	0.6
59.01385	5.5
61.98842	0.7
64.81377	0.7
65.03047	0.7
71.26737	0.8
82.14780	0.7
99.98922	4.0
117.00465	0.7
120.35885	0.7
137.73344	0.7
139.94237	0.7
140.01982	1.6
141.99976	82.5
143.00104	3.7
184.01039	31.7
185.01212	2.0
193.49930	0.7
199.99091	1.2
201.02559	4.7
202.02789	2.4
218.49825	0.7
242.00113	2.4
281.95148	0.9
284.01154	100.0
285.01358	14.0
344.03906	1.6
356.22150	0.7
384.01474	1.1
400.62741	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1403
Annotation	5,7-Dihydroxy-3'-(2-hydroxy-3-methyl-3-butenyl)-3,6,4'-trimethoxyflavone
Peak:m/z	Relative Intensity
54.87661	0.8
55.29648	0.8
69.06799	6.7
81.74507	1.0
85.06573	1.2
87.04485	1.2
88.04058	1.6
88.31934	0.9
89.36522	0.9
111.04490	2.2
123.08160	1.5
165.01888	1.0
165.09230	1.0
166.02736	1.0
181.73357	0.9
183.06606	1.0
208.07324	1.2
209.08163	3.3
221.08252	4.2
224.06927	1.7
241.42236	0.9
247.09726	1.0
257.04495	1.4
269.04657	1.0
285.04010	3.8
286.04868	12.9
287.05261	1.4
299.05640	1.2
303.53497	0.9
313.03458	4.3
314.04242	1.8
325.07092	1.2
339.08890	5.4
351.16098	1.7
355.08023	1.9
356.08865	1.2
357.09784	9.6
369.13528	5.9
381.13440	2.5
394.10428	1.2
409.12918	20.9
409.23947	3.9
410.13260	3.5
427.13965	100.0
427.25671	23.1
427.31924	2.5
428.14270	14.0
428.25119	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	427.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69705	0.5
61.98837	5.9
83.05064	0.7
93.03532	0.6
97.02961	0.6
99.00945	0.6
99.92594	52.0
100.92590	2.1
100.93369	4.0
115.92087	73.7
116.92184	4.4
116.92870	100.0
117.92884	4.6
117.93662	0.9
118.90005	0.8
119.03027	0.4
121.02982	0.8
128.17410	0.5
181.12447	0.9
195.06677	1.0
221.15660	0.5
236.98499	0.5
255.03290	0.7
263.03723	0.7
265.14346	0.9
267.03348	0.5
269.09946	0.7
287.02283	1.0
291.03690	0.6
293.04846	9.5
294.05386	1.5
310.05222	1.2
311.06009	1.2
322.05157	7.2
323.05417	0.9
327.21771	1.7
373.11096	11.7
374.11365	1.3
387.09406	1.7
391.03864	0.7
391.12238	14.6
391.17130	0.9
392.12579	1.7
405.10306	3.6
406.10254	1.0
409.13205	2.5
427.05197	1.1
427.14285	15.6
427.18811	0.8
428.14719	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	427.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	100.0
58.03793	2.0
59.01384	72.7
60.46113	1.5
60.46518	1.5
65.15471	1.5
71.01392	25.8
72.20787	1.7
72.99278	2.0
73.02950	17.5
79.05517	1.9
79.95744	2.0
81.03483	2.4
83.01390	5.2
85.02958	4.4
87.00877	1.7
89.02441	18.4
96.96020	62.8
97.06628	1.7
99.04530	70.7
101.02450	33.2
113.02467	10.3
113.06077	2.3
119.03489	6.9
123.04541	10.9
125.02463	24.9
131.03500	2.2
143.03529	3.8
148.05342	4.1
161.04564	7.1
163.07654	3.4
166.06332	1.7
171.77931	1.6
176.69252	1.6
179.05620	4.9
270.47498	1.7
300.99625	3.4
301.99603	4.7
303.00262	2.6
347.24445	6.4
384.92545	1.7
427.10706	3.9
427.20044	39.1
428.20120	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	427.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27201	1.5
57.03452	100.0
58.03777	2.7
59.01382	69.1
64.26595	1.6
71.01385	16.4
73.02935	6.6
83.01389	4.2
85.02956	9.9
89.02437	2.3
89.67870	1.9
96.96010	5.2
98.70830	1.7
99.00851	1.5
99.04529	73.1
101.02449	28.0
113.02449	7.7
125.02451	20.9
133.26520	1.4
161.04593	8.6
165.46976	1.4
192.43121	1.6
245.31439	1.6
256.45520	1.7
283.11890	21.4
301.99811	1.9
346.55685	1.9
427.20023	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	427.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70358	3.6
57.02574	3.8
59.01379	68.7
69.93384	3.3
70.62553	5.0
70.62874	4.6
71.01389	37.1
73.02942	17.3
77.68773	3.5
83.01390	15.8
85.02971	16.4
89.02436	5.0
93.03498	7.0
96.96021	18.4
101.02439	43.1
113.02440	13.4
125.02444	9.4
137.02443	10.6
159.03093	5.1
161.04547	15.1
171.35344	3.9
221.10291	99.1
224.27765	4.0
249.03781	4.2
305.90256	4.2
367.16083	100.0
368.16324	9.3
409.08273	6.2
415.12766	4.3
427.05685	7.4
427.11038	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	427.1976
Annotation	Sphaeranthanolide
Peak:m/z	Relative Intensity
52.52365	0.6
54.45662	0.7
55.01873	1.8
57.03442	1.7
58.00586	1.1
59.01388	29.1
63.63079	0.6
65.87204	0.7
69.19976	1.3
69.20386	2.6
71.01387	25.7
72.99298	2.1
73.02957	5.9
75.00845	0.8
83.01392	4.3
83.02991	0.7
85.02958	11.2
85.73994	0.6
86.00121	0.6
87.00899	1.1
89.02450	12.6
95.01400	3.3
95.12853	0.6
96.96031	2.8
97.02966	0.7
98.95599	1.5
99.00876	2.1
101.02450	18.7
108.89620	0.6
113.02455	8.8
119.03538	4.5
119.30129	0.7
125.02457	1.9
130.83932	0.6
143.03468	0.8
159.02924	0.7
161.04527	1.4
165.05571	0.7
169.01433	1.2
265.14520	1.1
391.04425	1.4
427.02255	1.7
427.19742	100.0
428.20016	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04687	0.4
57.03450	10.6
57.55071	0.3
58.00560	0.4
59.01385	8.8
62.65441	0.4
67.35371	0.3
71.01382	3.1
71.29667	0.7
73.02946	1.1
79.95752	1.7
83.01403	0.5
85.02957	0.7
89.02451	1.0
96.96021	100.0
98.95586	0.5
99.04533	8.6
101.02444	3.8
109.02946	0.6
113.02477	1.0
125.02423	2.8
127.11271	0.5
135.93759	0.4
161.04482	0.8
165.05573	0.4
169.01385	0.4
171.10265	0.5
179.07408	0.4
199.13400	0.5
201.11330	1.2
215.12755	0.6
227.44508	0.4
283.11902	2.8
300.99442	0.9
301.99838	1.1
329.23264	1.3
347.24405	9.8
348.24786	0.9
394.98523	0.5
427.20078	63.7
428.20386	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	427.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04687	0.4
57.03450	10.6
57.55071	0.3
58.00560	0.4
59.01385	8.8
62.65441	0.4
67.35371	0.3
71.01382	3.1
71.29667	0.7
73.02946	1.1
79.95752	1.7
83.01403	0.5
85.02957	0.7
89.02451	1.0
96.96021	100.0
98.95586	0.5
99.04533	8.6
101.02444	3.8
109.02946	0.6
113.02477	1.0
125.02423	2.8
127.11271	0.5
135.93759	0.4
161.04482	0.8
165.05573	0.4
169.01385	0.4
171.10265	0.5
179.07408	0.4
199.13400	0.5
201.11330	1.2
215.12755	0.6
227.44508	0.4
283.11902	2.8
300.99442	0.9
301.99838	1.1
329.23264	1.3
347.24405	9.8
348.24786	0.9
394.98523	0.5
427.20078	63.7
428.20386	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	427.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23323	0.5
53.60174	0.5
67.17485	0.4
71.28300	0.5
86.79072	0.4
94.76449	0.4
96.45958	0.4
98.83459	0.5
103.33645	0.5
109.02953	0.8
110.72463	0.5
126.60244	0.5
139.34026	0.5
151.18489	0.5
181.08713	0.6
193.08714	3.0
197.10951	0.4
201.05356	0.5
243.06407	0.5
256.07401	1.4
270.05463	0.5
284.06976	3.0
285.07791	5.4
285.11026	0.8
286.07877	0.5
311.05496	2.1
325.10770	1.4
325.14316	1.1
326.11508	1.8
336.10101	0.5
351.12399	1.2
354.11148	2.7
355.11859	0.7
369.13422	100.0
370.13745	11.8
375.23712	0.5
422.86682	0.5
427.21249	93.1
428.21591	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	427.2127
Annotation	3-O-Angeloylsenecioodontol
Peak:m/z	Relative Intensity
63.69564	0.3
70.40354	0.3
70.40673	0.6
74.08994	0.3
74.58961	0.2
99.14825	0.5
153.35190	0.3
158.48013	0.3
181.08693	0.7
193.08728	1.6
256.31616	0.3
266.19379	0.3
269.08237	0.6
270.09006	0.5
281.08182	0.6
284.06888	0.8
296.98389	0.3
297.07684	0.5
298.08505	1.6
299.09314	5.1
311.05490	0.5
325.07278	0.9
325.10928	0.7
325.14243	1.6
326.08063	0.5
326.11505	2.2
336.10004	0.5
338.76529	0.3
351.12378	1.8
352.12830	0.4
353.10062	0.6
354.11090	2.4
357.16907	0.6
369.13425	100.0
370.13773	12.6
427.21249	70.4
428.21609	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	427.2127
Annotation	3-O-Angeloylsenecioodontol
Peak:m/z	Relative Intensity
70.40494	1.0
99.14770	0.8
103.81707	0.4
109.02915	0.9
118.67980	0.4
184.72212	0.4
193.08676	3.0
270.05322	0.8
284.06915	0.5
285.07715	5.7
286.07825	0.9
311.05585	4.1
312.06192	0.5
325.10840	1.1
325.14447	0.6
326.11426	2.3
345.99634	0.5
351.12460	1.6
354.11023	2.8
355.11118	0.8
369.13419	90.8
370.13779	9.1
427.21262	100.0
428.21634	15.0
428.27530	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	427.2125
Annotation	3-O-Angeloylsenecioodontol
Peak:m/z	Relative Intensity
51.39334	0.4
60.85443	0.4
66.83716	0.5
69.18028	1.3
69.18449	2.2
85.78207	0.4
99.14811	0.8
235.23132	0.5
284.06833	1.3
298.08557	0.8
299.09229	2.0
311.05750	3.2
312.06323	1.7
324.00903	0.4
325.07202	3.2
336.10025	1.5
339.08835	0.5
351.12399	14.6
352.12692	1.6
354.11099	1.6
369.13428	99.5
370.13776	10.7
370.18323	0.5
427.21255	100.0
428.21588	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	427.2493
Annotation	Graviphane
Peak:m/z	Relative Intensity
54.61688	0.6
69.03466	0.6
69.34671	1.8
69.35096	2.0
74.78953	0.7
79.01888	1.1
85.02911	0.5
87.04485	1.3
92.11370	0.6
95.05017	0.9
97.93138	0.8
107.05028	1.4
109.02982	0.9
111.04522	10.4
113.92630	9.6
114.93403	0.8
123.04536	5.7
123.08153	3.2
135.08147	1.0
138.03284	0.7
149.02399	0.6
150.03265	0.9
151.04024	12.0
152.04320	0.7
153.18474	0.5
165.09250	1.9
166.02763	1.6
166.06186	0.5
167.07179	0.7
170.95914	0.7
174.90819	0.5
177.01984	2.1
177.05557	0.7
177.09204	1.0
179.07187	1.3
192.42393	0.6
193.08669	2.8
201.81282	0.6
203.07141	6.1
203.10849	1.1
205.05023	0.9
205.12384	1.8
207.06554	1.4
208.07414	4.9
209.08180	5.1
219.06728	1.0
221.08209	52.0
222.08604	3.9
224.06718	1.0
231.10329	0.9
233.08208	1.5
247.09679	1.4
249.11336	7.5
302.99402	0.6
315.19614	0.7
348.86533	0.7
355.12036	0.8
357.20941	1.0
369.13541	4.2
383.26089	1.9
427.25012	100.0
427.37695	2.6
428.25330	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	427.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74866	0.3
54.36711	0.3
55.01853	0.5
57.03440	1.2
69.09883	2.9
83.05052	0.6
85.06580	0.9
87.04520	0.6
111.04521	4.7
123.08166	6.7
124.08440	0.4
138.03210	0.7
139.04050	0.6
165.01942	0.5
165.09227	0.8
166.02736	3.2
167.07106	0.5
196.01419	0.4
207.06622	0.6
208.07410	8.6
209.08183	2.3
217.15977	1.0
221.08214	2.1
241.16032	0.6
313.21823	0.6
315.19760	1.6
347.23849	0.4
357.20709	1.4
365.24988	1.7
369.13626	1.1
375.51147	0.5
381.24414	1.8
383.25778	2.1
409.23849	2.3
427.24924	100.0
428.25287	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	427.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14548	11.8
51.35508	14.9
53.29930	12.0
59.01368	54.8
69.18957	33.5
69.19369	71.4
78.95880	21.4
88.49141	12.3
96.96033	18.9
96.96983	13.6
111.08157	14.4
114.92595	17.7
114.93404	17.0
167.49910	14.4
173.22560	13.7
367.14349	60.5
427.16370	100.0
427.24054	24.0
427.32309	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	427.2852
Annotation	meso-octamethylcalix[4]pyrrole
Peak:m/z	Relative Intensity
57.03436	0.7
71.28146	0.6
90.38351	0.6
97.06569	1.0
111.04503	1.2
113.09674	1.4
125.09676	1.8
145.08627	0.6
157.08617	1.8
159.10294	12.3
169.04994	0.6
171.10225	0.6
173.11766	1.1
181.08636	1.0
191.03464	1.1
195.06604	0.8
221.19165	4.3
265.17889	2.2
271.19073	1.1
283.19077	4.7
285.20700	8.0
286.20938	0.7
301.19946	0.8
337.25345	1.1
363.23175	1.3
365.24411	0.9
365.28381	1.7
379.26315	1.2
381.27991	67.3
382.28314	10.3
383.29303	1.8
427.17569	2.3
427.28378	100.0
428.28775	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	427.2855
Annotation	meso-octamethylcalix[4]pyrrole
Peak:m/z	Relative Intensity
69.22851	2.0
69.23251	0.8
70.58544	0.4
78.07824	0.4
96.96030	0.4
97.06565	0.8
98.22507	0.9
100.82718	0.6
132.15196	0.4
157.08710	1.0
247.84087	0.4
268.70050	0.4
285.20688	0.4
287.22247	0.6
290.23923	0.4
313.23795	0.6
334.38358	0.5
349.25366	0.8
354.24335	0.5
365.24619	0.5
365.28564	1.4
371.26035	1.3
379.26431	0.5
381.28000	50.4
382.28366	5.2
383.29599	4.2
384.30148	0.9
395.25949	0.6
427.28482	100.0
428.28851	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	427.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67472	0.5
57.03447	3.4
59.01378	0.5
63.67347	0.5
64.65193	0.5
67.72375	0.5
79.61429	0.5
81.03443	0.8
83.05032	7.6
90.16214	0.6
109.06595	2.1
111.08173	37.4
112.08516	1.1
129.09190	1.2
133.97717	0.5
140.77834	0.4
173.08194	12.0
177.57295	0.5
271.22806	11.2
272.23154	1.4
356.63968	0.7
365.30661	1.4
409.29626	1.8
427.30566	36.9
427.35834	100.0
428.30890	4.2
428.36191	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	427.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32327	1.2
63.54502	1.5
69.77416	4.7
78.64031	1.5
85.87843	1.3
103.73949	1.7
113.09745	3.4
125.09686	2.3
141.09222	5.1
159.10271	31.4
183.72653	1.3
223.20673	54.0
224.21036	2.8
267.19650	26.5
268.20120	1.7
285.20731	18.4
365.30579	4.2
369.13412	15.9
409.29572	4.4
427.21902	14.3
427.30646	100.0
427.35275	3.5
428.21530	2.2
428.30933	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	427.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70496	0.7
56.31984	0.9
56.73510	0.7
57.85745	0.7
69.55351	3.3
72.99311	1.0
75.00879	100.0
106.75366	0.7
110.47664	0.7
118.94913	0.7
125.67509	0.7
140.93356	0.7
154.86913	0.8
158.48750	0.8
228.43303	0.7
243.94606	0.8
267.90216	0.9
307.30066	25.1
308.30298	2.3
327.29135	3.0
351.29019	9.7
355.07675	0.9
355.32288	3.6
369.30109	51.4
370.30307	4.8
427.30637	25.5
427.37787	5.6
428.25479	0.9
428.31302	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3216
Annotation	Ergosterol peroxide
Peak:m/z	Relative Intensity
57.03424	0.6
58.00603	29.0
59.01385	0.7
62.93965	0.4
66.19785	0.4
69.03456	0.4
83.05061	0.6
84.02167	1.5
95.28451	0.5
111.04532	0.7
113.02459	0.6
125.09747	0.6
141.19142	0.4
173.11815	0.7
312.15607	0.5
383.25577	0.6
401.08475	0.4
409.31299	1.4
422.54553	0.5
427.32214	100.0
428.32574	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	427.322
Annotation	Ergosterol peroxide
Peak:m/z	Relative Intensity
57.03439	0.8
58.00603	27.6
59.01365	1.6
59.01640	0.5
61.98835	0.7
71.05006	0.8
71.28277	1.0
85.02946	0.9
97.02922	0.7
97.06583	1.0
99.00914	0.7
99.92604	1.4
111.04558	0.9
113.02455	0.9
115.92074	0.7
116.92876	1.4
125.09727	1.2
131.51120	0.6
171.44913	0.7
201.11298	0.9
222.36917	0.7
299.18594	0.9
327.21698	0.7
354.02457	0.8
367.30209	2.5
381.28229	0.7
383.29749	1.8
409.23047	1.0
409.31198	7.5
410.31409	1.5
427.23148	3.0
427.32257	100.0
428.27213	1.3
428.32614	13.9
438.25055	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.343
Annotation	Unknow
Peak:m/z	Relative Intensity
63.39071	3.8
67.65086	3.4
97.12070	3.6
116.92887	4.1
173.11844	68.8
225.22241	4.9
271.22800	100.0
413.55560	3.8
427.33350	77.9
427.38336	31.7
428.34216	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	427.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
67.72369	1.2
72.55978	1.4
87.78275	1.5
113.09686	1.8
121.57424	1.3
138.32709	1.3
141.12950	1.8
157.08681	1.6
285.73257	1.9
350.46384	1.4
355.32306	5.3
409.36871	2.8
425.36505	2.8
427.37921	100.0
428.38174	15.4
444.36298	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	64.8
61.98839	7.5
66.04996	6.5
67.67989	6.6
69.23470	44.1
71.01385	48.9
85.02935	11.2
89.02466	65.5
101.02448	25.6
101.78139	6.8
109.02927	7.3
111.00929	7.7
113.02474	21.4
117.05569	6.2
119.03506	28.1
121.03009	7.5
122.03751	8.3
123.00884	18.7
123.04552	7.7
125.02425	17.9
139.00427	9.3
141.32956	6.3
143.03520	11.7
151.00349	11.7
161.04555	6.1
168.00635	6.9
169.01517	28.5
179.05630	31.0
179.51118	6.2
211.02432	16.0
238.62405	6.8
241.72145	6.3
267.15829	6.6
271.04639	22.8
429.14014	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	428.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	17.2
59.01389	68.5
62.23763	12.7
67.23499	11.9
69.08632	100.0
71.01379	60.6
73.02950	15.9
79.38233	11.5
79.45580	13.0
85.70447	12.8
89.02447	74.3
95.04970	13.4
96.96029	49.7
98.95592	21.0
100.14330	14.7
101.02458	37.5
108.02228	17.5
109.02972	23.0
111.00887	19.5
113.02448	24.2
119.03489	45.4
123.00891	30.1
123.04553	17.7
125.02482	32.2
125.68221	14.2
130.91988	13.5
152.01181	17.6
153.01903	27.4
153.05528	16.0
161.04567	17.4
177.01932	16.3
179.05652	23.8
182.02156	20.2
197.04588	60.8
248.59688	13.7
385.18677	39.4
428.88785	16.0
429.08600	18.6
429.13748	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	428.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	58.0
66.18241	8.2
69.24215	42.4
69.53730	7.8
71.01388	72.8
73.02959	17.6
85.02966	22.0
88.24628	7.9
89.02444	53.3
97.83515	7.3
101.02459	59.0
113.02451	23.5
119.03510	28.6
125.02473	14.9
138.06903	16.5
139.07668	13.3
143.03560	9.2
151.07642	25.0
152.08463	25.4
153.09206	100.0
154.50395	7.5
156.43056	7.5
161.04573	56.4
179.05688	23.1
179.29807	7.8
182.63852	7.7
183.97308	7.7
205.12289	42.7
223.13414	47.8
265.64111	9.1
270.52954	8.2
385.18753	90.8
386.19049	13.9
402.16031	9.3
429.21249	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	428.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69171	3.6
59.01384	100.0
66.10483	4.2
68.98281	36.5
71.01387	55.9
73.02934	16.9
83.01402	7.3
85.02963	15.8
87.00871	6.5
87.54556	4.1
89.02448	27.3
90.04282	4.6
95.01376	4.9
96.47216	4.1
97.02931	4.7
101.02443	31.5
103.03999	6.6
109.70952	4.9
113.02467	15.0
119.03491	9.4
121.06586	15.9
123.00801	4.6
125.02487	12.1
137.02496	5.1
161.04556	12.0
174.80710	4.6
179.05695	5.7
187.11269	7.9
202.54762	4.7
205.12303	5.8
223.13373	27.3
241.94331	3.9
267.12323	14.3
297.13467	10.1
301.99475	5.4
313.65652	4.4
429.17596	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	428.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75897	3.3
55.01890	5.6
57.03457	4.1
59.01093	6.4
59.01382	100.0
59.15394	3.2
60.56746	3.0
61.98827	4.9
64.31558	3.9
69.07200	17.4
69.07597	10.3
71.01385	66.5
71.56494	3.0
73.02943	14.7
83.01375	5.7
85.02972	26.8
87.00880	8.3
89.02449	37.6
95.01412	6.4
97.02921	3.9
99.00881	4.7
101.02446	43.7
103.03995	6.0
107.05035	4.1
113.02472	17.4
119.03506	14.1
121.06612	22.9
123.04501	3.5
125.02449	10.8
125.51752	3.3
126.30968	2.8
130.19473	3.1
137.02431	6.1
142.41612	2.8
143.03516	5.6
159.03020	4.6
161.04518	19.0
179.05594	7.2
187.11330	4.8
205.12352	5.5
223.13434	30.1
247.08269	4.0
249.11467	4.3
251.05379	4.7
267.12433	24.0
269.03137	3.5
297.13455	14.1
313.05170	4.0
349.76233	3.6
410.62155	3.7
429.08630	3.6
429.17429	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	428.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17493	0.7
58.84398	0.6
68.11828	0.8
69.26779	4.5
70.48895	0.7
71.05034	0.7
75.81097	0.6
96.00912	1.1
98.02488	7.0
98.22525	1.3
109.06602	1.2
111.00893	0.7
111.04505	3.6
123.08148	0.9
124.04884	0.6
124.76214	0.6
125.06117	1.1
130.63037	0.6
143.02251	0.9
152.14465	1.6
153.12880	7.6
154.34752	0.7
155.07170	0.8
165.09163	0.8
166.02707	2.0
169.12297	0.8
171.13927	1.0
179.07085	1.0
181.05089	3.1
182.15442	1.2
196.13417	1.1
207.06659	1.7
208.07362	6.8
209.07921	6.0
210.15005	100.0
211.15350	5.5
221.08223	0.8
222.08641	0.8
222.14966	0.9
222.59804	0.6
242.17601	3.0
247.09846	1.6
247.13387	1.2
249.11372	0.9
254.14040	6.2
275.09467	1.3
352.12750	2.9
366.30154	11.3
367.30447	1.4
369.13446	5.1
370.13773	23.4
371.14099	2.3
384.26431	1.1
385.16623	1.0
410.24246	1.3
428.21078	12.9
428.25302	24.6
428.37936	1.1
429.19000	2.2
429.26135	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	428.9556
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01537	1.1
59.01387	2.7
71.01394	1.8
98.95589	2.4
99.92602	32.1
100.93370	3.8
103.49585	1.2
108.02216	4.5
115.92102	5.0
116.92872	53.5
117.09380	1.2
117.92947	1.7
118.26037	1.2
119.06711	1.1
121.02972	2.0
123.04527	4.3
159.46069	1.1
169.01373	2.0
200.01205	3.8
228.00804	1.3
242.99440	4.1
254.99355	4.6
269.98074	8.3
270.98856	35.9
271.99463	2.2
282.98947	5.3
283.99664	43.2
285.00259	7.7
297.97607	10.8
298.92877	3.7
298.98438	28.7
299.01956	5.1
299.93692	2.0
299.99030	7.0
312.99911	17.6
314.00549	8.3
314.92328	1.8
315.01364	2.6
327.01389	10.3
328.02142	3.8
329.02771	2.9
338.08362	2.6
338.58087	3.0
354.91974	7.7
355.92627	2.5
367.92795	2.4
369.30960	1.3
370.91144	1.4
381.90521	3.7
382.91385	47.6
383.92136	65.0
384.92468	8.9
397.93762	47.7
398.94662	29.9
399.95105	5.8
413.93723	6.8
414.93884	3.7
428.62088	2.0
428.95618	100.0
429.12143	4.4
429.20526	1.8
429.95859	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	429.1039
Annotation	Bispyribac
Peak:m/z	Relative Intensity
55.01860	1.6
57.03438	2.1
59.01377	7.4
62.45176	0.7
65.00340	1.1
67.01883	2.0
69.03435	1.3
71.01393	13.4
72.99312	1.6
73.02953	4.5
75.00876	1.1
79.01889	1.2
83.01413	4.1
85.02953	6.9
87.00874	1.8
89.02453	2.3
95.01370	3.9
96.96016	9.3
97.02966	2.5
99.00906	1.8
101.02448	7.7
107.01416	7.4
109.03000	0.8
111.00877	5.0
113.02473	5.8
115.04044	4.6
119.03517	0.8
120.99617	0.7
123.00890	21.8
123.04538	1.2
124.01696	1.5
125.02457	36.4
127.00356	2.1
134.03760	1.4
136.98781	2.4
137.02451	2.0
137.94398	0.6
139.00381	8.3
140.01164	5.8
141.01955	2.3
149.02426	1.2
151.00388	14.9
151.04028	1.7
153.01912	1.2
161.04558	1.6
165.01982	1.3
166.99846	1.1
167.03415	1.0
168.00645	6.8
169.01439	40.2
170.01830	0.8
173.30034	0.7
177.01988	3.9
177.04045	2.0
178.02711	0.7
193.05020	2.5
211.02477	7.4
233.10376	1.3
241.03606	0.8
242.03658	0.7
267.08752	1.2
271.04645	16.7
272.04916	0.8
277.09280	7.3
297.06085	0.9
313.05637	4.4
331.06769	1.0
385.11417	36.0
386.11716	3.4
411.09436	7.3
429.10382	100.0
430.10681	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	429.1403
Annotation	Polygalatenoside C
Peak:m/z	Relative Intensity
55.01873	2.6
59.01388	35.7
61.98819	3.4
69.14064	8.2
69.14493	4.9
71.01380	14.8
72.99321	1.8
73.02941	4.3
79.01894	1.7
80.22948	1.4
81.03448	1.9
83.01375	3.1
85.02949	10.0
89.02450	4.5
95.01391	3.4
96.95996	4.2
97.02956	2.4
98.22553	3.7
99.00891	2.0
99.04539	5.1
101.02452	6.2
107.01396	3.5
108.02180	10.6
109.02968	13.8
111.00880	3.9
113.02455	6.6
117.03461	1.8
117.05594	3.5
121.02975	3.3
122.03750	59.7
123.00919	9.5
123.04546	79.3
124.04800	3.8
125.02470	20.6
136.04042	3.8
137.02472	13.4
137.04388	2.3
139.00368	3.5
140.01157	3.8
145.02940	7.9
149.06076	5.2
151.00426	6.6
151.04141	1.9
161.02396	1.7
161.04550	5.0
163.03964	1.9
165.05620	3.1
167.03499	1.8
168.00696	3.6
169.01425	27.3
177.04015	3.4
191.03557	2.2
193.05122	1.9
203.05721	3.6
211.02560	4.7
267.08786	17.0
271.04745	3.2
285.10022	2.9
308.06976	1.8
372.34283	1.9
407.30359	1.6
429.14041	100.0
430.14441	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1406
Annotation	Hymenoside L
Peak:m/z	Relative Intensity
51.73009	0.4
55.02858	0.4
57.03441	0.6
59.01376	5.2
59.88881	0.4
65.00323	0.5
71.01389	2.5
71.28781	0.4
81.03462	4.0
83.01387	2.9
84.01729	0.4
84.68772	0.5
85.02958	0.9
89.02443	1.7
89.71401	0.4
92.19714	0.4
93.03493	0.6
95.05060	0.7
96.96018	0.4
98.95601	0.4
101.02425	0.8
109.02976	2.2
113.02466	0.6
119.03513	0.6
121.02945	0.7
123.04538	34.7
124.04861	0.9
125.02443	4.3
131.01405	0.6
135.04497	0.6
137.02452	1.3
139.04021	0.8
149.02432	1.6
151.00381	0.8
151.04028	1.0
163.04008	1.4
165.01956	0.5
166.02681	0.7
167.03508	100.0
168.03835	3.8
175.00354	1.2
179.03500	1.1
181.05086	3.0
190.06448	0.4
191.03520	28.6
192.03906	1.4
193.05116	0.8
205.12387	1.8
209.04550	8.6
210.04860	0.5
221.04593	2.7
223.13435	0.5
233.04590	0.5
249.11298	1.7
371.09784	4.9
411.13144	2.0
429.08533	0.6
429.14005	3.4
429.19299	0.6
430.14267	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1556
Annotation	Diasesartemin
Peak:m/z	Relative Intensity
52.36579	0.6
55.88895	0.6
61.07578	0.6
66.35752	0.6
69.20736	1.5
69.21139	2.4
87.04515	2.1
95.74244	0.6
105.38831	0.6
109.02980	1.0
111.04521	2.8
121.41180	0.6
125.06078	3.2
135.04543	0.9
163.04047	1.0
168.92485	0.7
179.07063	0.7
187.04031	0.7
189.05637	1.0
190.02776	0.7
193.08763	1.0
203.07225	0.7
205.05043	1.1
207.06627	1.1
208.07492	0.6
209.08214	0.7
215.03517	1.3
219.06642	2.1
219.10231	0.7
221.08232	1.5
229.05043	0.8
231.06790	0.7
231.10257	1.3
233.08226	1.2
235.09880	0.8
245.08182	0.6
247.06146	2.3
247.09758	4.4
257.04370	0.9
258.01614	0.7
259.02463	1.5
259.09619	1.7
261.07492	0.8
262.11902	0.7
263.09280	1.3
271.09796	1.6
273.07904	0.7
273.11246	1.7
275.09210	4.0
283.06323	0.7
289.10815	4.9
292.14658	0.7
299.09308	5.1
301.03748	3.0
301.06808	0.6
302.04230	0.9
313.10834	2.0
314.11221	1.2
315.05121	0.8
315.08768	1.7
315.12442	2.7
317.10190	1.6
317.14005	1.9
326.07767	1.0
327.08658	1.3
329.06622	1.3
330.07556	1.5
331.11612	1.3
341.10287	4.9
342.10944	1.4
343.08218	6.8
344.09006	7.8
357.17120	2.8
358.10629	2.7
371.07626	5.3
372.08386	3.8
373.16687	0.8
381.09833	1.0
385.16617	5.7
396.12109	2.8
399.10980	2.1
401.16092	3.1
411.14481	2.2
412.14948	1.0
413.12906	0.9
414.13226	51.9
415.13632	7.0
428.25494	0.8
429.15573	100.0
429.25793	4.7
429.34076	1.7
430.15958	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21535	0.6
59.01371	0.8
59.24611	0.8
61.98836	9.8
69.11073	2.7
69.11497	3.0
83.05030	1.0
89.66789	0.6
96.96055	1.2
99.00857	0.8
99.92596	57.3
100.92657	1.7
100.93377	3.9
114.48139	0.7
115.92091	92.3
116.92150	5.3
116.92871	100.0
117.92911	4.3
118.90042	1.2
120.05383	0.8
125.09710	1.9
132.92339	1.1
134.60576	0.7
141.09172	1.1
181.12340	0.9
187.09850	1.3
211.13396	0.7
235.76764	0.7
254.84088	0.8
267.03378	1.4
270.31949	0.7
279.03030	0.8
291.02899	0.8
293.04904	14.2
310.05130	1.7
311.05804	1.0
311.10980	1.0
323.44287	0.9
325.03876	1.0
329.23419	2.9
345.59357	0.7
375.12720	19.2
376.12845	4.2
389.10614	3.3
393.13809	28.4
394.13846	4.9
407.11728	10.4
408.12137	2.1
411.14923	5.4
429.15909	25.2
429.21268	2.4
429.25528	1.0
429.30402	2.2
430.10901	0.7
430.16037	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	429.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00594	3.6
58.11663	1.7
59.01382	100.0
61.98837	1.6
63.17875	1.6
68.22271	1.5
69.09850	13.2
71.01389	49.6
72.99303	4.1
81.07131	2.0
83.01378	3.2
85.02974	9.6
87.00893	2.5
89.02446	63.2
94.01926	1.5
95.01394	3.5
99.04536	6.2
101.02454	34.4
109.02996	2.7
111.04562	2.7
113.02456	22.1
119.03510	27.9
131.03526	3.2
143.03500	5.6
161.04529	3.6
161.13383	21.1
167.03516	7.5
179.05617	7.2
187.11298	4.5
191.03487	2.8
205.12343	69.3
206.12712	3.1
223.67973	1.8
249.11328	65.4
250.11653	4.1
283.96457	1.7
308.57791	1.6
346.45074	2.0
385.18640	3.1
398.87125	1.8
429.17249	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	429.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00583	2.8
59.01385	100.0
69.00207	15.2
71.01384	53.2
72.99310	3.7
77.72016	2.2
80.44884	2.1
80.82247	2.3
82.56771	2.5
83.98792	2.3
85.02962	7.6
87.00878	2.8
89.02458	57.4
95.86692	2.3
99.04531	6.6
101.02449	24.7
111.04516	2.5
113.02455	23.8
119.03527	29.9
130.37787	2.3
131.03471	2.7
143.03537	4.1
161.04553	2.9
161.13379	20.9
172.82173	2.1
175.01389	2.2
179.05598	6.8
205.10501	4.3
205.12338	55.0
249.11334	45.2
250.11646	3.1
429.17993	6.1
436.65268	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	429.177
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47828	1.5
55.04165	1.7
57.03437	1.9
58.00587	2.9
59.01384	100.0
60.98527	1.4
68.67813	1.5
69.13601	3.9
69.14014	7.2
71.01389	52.2
72.99307	3.4
85.02960	13.1
86.77846	1.6
89.02455	64.7
95.01379	3.1
98.22481	3.2
99.04526	7.2
101.02453	26.5
104.95700	1.7
105.66158	1.5
113.02462	17.7
119.03522	26.3
123.39763	1.5
131.03513	2.1
143.03497	3.6
161.04536	4.0
161.13382	21.7
179.05605	7.7
187.11310	2.3
205.12349	58.1
206.12700	4.0
223.13364	3.3
249.11337	67.0
250.11658	5.4
348.36444	1.5
364.35965	1.5
376.77878	2.0
384.60083	1.7
429.17612	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	429.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49334	0.3
53.72932	0.3
54.27829	0.3
59.01412	0.6
69.76997	0.3
71.18497	0.5
75.21353	0.3
83.05057	1.3
85.02960	1.5
85.06646	0.4
95.05064	0.7
97.32063	0.3
99.00908	0.9
99.92593	4.8
100.92697	0.5
100.93369	3.0
109.02969	1.5
111.00945	0.4
111.04527	6.0
111.05257	0.5
113.02457	0.9
113.06065	0.4
115.92088	100.0
116.92099	4.9
116.92881	5.8
125.06071	0.9
125.09621	0.4
126.61610	0.3
132.92337	1.3
139.07602	0.3
155.07109	1.2
155.95180	0.4
159.17596	0.4
163.11246	1.0
172.95488	4.0
177.05504	1.4
179.07045	1.3
181.05060	0.6
181.08607	1.0
183.06645	5.8
189.05539	0.4
191.07028	0.9
193.08694	3.2
196.55147	0.3
203.03383	0.5
204.04097	0.5
205.04959	0.4
205.08612	0.5
207.06606	0.5
208.07266	0.6
219.06653	5.2
219.10065	1.0
219.13786	0.3
221.08032	1.2
223.08562	0.4
229.08507	1.0
233.08205	1.7
233.11742	0.4
245.11722	0.3
247.09758	23.2
248.10112	1.7
251.12587	0.4
255.23050	0.8
261.11319	2.3
262.12057	2.2
263.12512	0.7
276.13464	0.4
294.10931	0.6
353.96906	0.3
355.15521	0.5
381.16989	0.7
385.12271	0.4
385.23239	0.4
387.25015	0.5
394.24976	0.4
411.25281	0.3
414.12509	0.5
429.14459	0.6
429.21951	15.4
429.26196	3.1
429.42377	0.4
430.22379	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	429.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.8
57.94560	0.6
58.00606	1.2
59.01382	100.0
60.01717	1.2
60.63019	0.7
61.78478	0.6
66.16331	0.8
69.38568	1.5
69.38979	2.7
71.01382	17.2
72.37614	0.6
72.99297	0.9
83.01419	0.7
85.02975	2.7
87.00902	0.8
89.02448	18.7
95.01394	0.9
101.02442	7.6
113.02454	7.3
113.03058	0.7
119.03503	9.3
129.01787	0.6
131.03644	0.8
136.01732	0.8
137.09769	2.3
143.03574	1.9
149.04564	1.0
157.39577	0.6
158.23372	0.7
161.04587	2.4
161.13336	3.4
179.05588	3.3
205.12363	6.6
223.13531	1.3
249.11334	5.2
267.12494	0.7
351.77603	0.7
380.75458	0.7
397.29608	0.8
441.54630	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63599	0.8
53.79684	0.7
55.50488	0.9
57.03454	1.0
58.00588	0.9
59.01384	100.0
60.01700	1.0
64.71210	0.9
69.71552	1.8
69.71901	2.6
71.01389	13.8
72.99325	1.2
76.30581	0.9
85.02956	3.4
87.00862	1.1
89.02449	26.2
89.65202	0.8
95.01430	1.0
101.02448	6.6
109.66305	0.8
111.80601	1.0
113.02454	6.7
116.09774	0.8
119.03509	8.3
129.17365	0.8
143.03395	1.0
161.04547	1.7
179.05589	4.9
200.97316	0.8
237.88742	0.9
277.06512	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01714	1.2
60.87881	0.8
69.13613	6.5
69.13924	1.9
71.01393	11.5
73.02927	1.2
73.55322	0.9
85.02950	1.7
89.02455	17.9
101.02447	5.5
113.02438	4.0
119.03516	8.0
131.03641	1.1
137.09773	2.1
161.04579	3.0
179.05649	2.9
283.98245	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2283
Annotation	CJ 15544
Peak:m/z	Relative Intensity
55.01875	0.2
65.73027	0.2
69.13809	1.1
69.14233	0.7
102.38923	0.2
109.02959	34.1
110.03279	1.1
111.04513	0.6
113.09742	1.4
124.01646	0.3
125.06138	0.4
135.00906	0.8
147.39743	0.2
150.03186	0.5
176.47998	0.3
177.09259	0.5
179.07159	2.8
181.08716	11.1
182.09035	0.5
183.06659	0.5
186.21268	0.2
193.08702	100.0
194.09039	5.4
195.10327	0.8
205.08649	0.3
208.07356	0.4
219.06541	0.4
247.09755	1.4
247.13387	2.7
261.11270	0.3
429.22559	18.5
430.22928	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	429.2292
Annotation	CJ 15544
Peak:m/z	Relative Intensity
52.01522	0.2
71.28470	0.2
84.28954	0.2
87.04510	0.2
88.82076	0.2
106.38213	0.2
109.02972	0.5
109.78259	0.3
111.04526	1.9
113.09718	0.6
120.05830	0.4
123.08139	1.2
125.06067	1.4
128.65149	0.3
139.11288	0.4
163.03954	0.4
163.11356	1.4
165.09134	0.3
177.12878	3.7
179.07143	0.5
181.08722	0.3
189.12868	0.5
191.03511	0.4
191.10765	0.3
193.08630	1.2
201.12813	0.3
203.14377	0.8
205.05090	0.3
207.06546	0.3
207.10266	0.5
208.07352	0.6
209.08168	0.5
217.12369	0.2
219.06575	0.9
221.08177	1.0
221.11841	0.6
231.10211	0.2
233.08188	1.8
235.06158	0.3
243.10085	0.2
243.44055	0.2
245.08128	0.5
245.11830	1.1
245.15546	0.4
246.08626	0.2
247.09761	15.4
248.10069	1.1
257.08261	0.7
258.08920	0.4
259.16986	0.4
261.07895	0.5
261.11179	0.6
262.12122	0.8
263.12872	1.0
275.09271	16.3
276.09708	1.5
288.13556	0.3
289.11252	0.2
289.14478	0.9
290.11636	2.5
297.11212	0.5
301.10788	1.5
301.14282	0.5
315.12415	5.4
315.19797	0.4
316.12833	0.5
359.18665	4.7
360.19016	0.5
385.23944	0.4
399.18155	0.5
429.22806	100.0
430.23175	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	429.3011
Annotation	SCHEMBL16574568
Peak:m/z	Relative Intensity
50.95415	0.5
57.03447	0.8
68.99413	4.1
69.03468	1.0
71.01375	0.5
71.05028	2.2
73.02940	0.5
80.02666	0.7
84.30415	0.4
87.85835	0.4
97.68600	0.5
110.50128	0.4
137.09761	0.7
176.31471	0.4
179.51463	0.4
194.09264	0.4
223.20790	1.1
351.26923	0.6
357.28091	1.6
365.28336	0.5
367.30139	3.3
369.28036	1.5
383.29538	1.1
385.31244	3.9
386.31448	0.5
411.28906	0.8
413.30594	0.6
429.30103	100.0
430.30414	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	429.301
Annotation	12-Epi-Deoxoscalarin
Peak:m/z	Relative Intensity
59.01375	5.6
70.42289	8.1
97.06587	4.5
124.89474	3.2
209.25972	4.0
281.15607	3.5
349.25363	3.5
365.28610	9.9
381.28058	11.0
383.29565	42.3
384.29715	6.7
429.25879	14.3
429.30457	100.0
430.30444	14.9
447.31171	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3012
Annotation	SCHEMBL16574568
Peak:m/z	Relative Intensity
52.09712	0.3
59.01268	0.4
59.01516	0.4
60.99193	0.3
60.99452	0.4
74.73993	0.3
91.50410	0.3
97.02727	0.4
98.22644	0.7
99.12213	0.3
99.52419	0.3
121.75599	0.3
125.09500	0.4
142.75917	0.4
173.11665	0.4
307.60446	0.4
331.24860	0.7
363.27170	0.4
365.28455	6.4
366.28806	1.2
367.30060	100.0
368.30386	12.2
383.29697	0.5
385.31238	7.4
386.31372	1.1
411.29364	0.6
429.30273	29.3
430.30777	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	429.301
Annotation	Homaxisterol B1
Peak:m/z	Relative Intensity
50.13124	0.3
51.31026	0.3
52.52660	0.3
57.97452	0.3
59.01274	0.5
65.70351	0.3
69.04532	2.5
83.04903	0.4
95.04849	4.3
95.05508	0.7
97.06412	11.1
97.07113	1.9
98.06713	0.3
101.33091	0.7
111.07966	0.4
115.07451	1.3
122.16867	0.3
125.09534	0.7
138.47998	0.3
159.06613	4.8
169.99089	0.4
173.63033	0.4
244.34499	0.4
269.20926	0.7
287.19321	0.4
287.22290	4.4
365.24579	0.4
373.27661	0.5
381.27933	2.1
383.29559	58.3
384.29889	6.8
385.27182	0.5
385.31448	0.6
411.27756	0.5
411.32880	0.8
429.30026	100.0
430.30377	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	429.301
Annotation	12-Epi-Deoxoscalarin
Peak:m/z	Relative Intensity
69.21178	1.7
69.21594	0.7
84.26556	0.3
92.17877	0.3
94.90125	0.3
95.37272	0.3
98.22483	0.5
101.33252	0.4
125.19682	0.3
140.68481	0.3
179.07062	0.9
204.63231	0.3
221.19067	0.7
265.17813	0.4
275.01639	0.3
351.27020	0.4
365.24698	0.8
365.28662	0.8
367.26328	0.6
381.27969	3.2
382.28122	0.4
383.29556	62.0
384.29895	8.1
385.31180	1.3
419.40784	0.3
427.28400	0.5
429.30081	100.0
430.30417	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	429.3014
Annotation	SCHEMBL16574568
Peak:m/z	Relative Intensity
60.99286	0.8
64.34084	0.4
68.03398	0.4
69.15075	3.1
70.88609	0.5
97.44210	0.5
101.33202	0.6
109.02885	2.1
111.04469	0.5
151.07600	1.6
179.07083	1.3
181.08661	0.9
193.08722	2.5
195.06601	3.8
218.17761	0.5
233.04442	1.0
349.25577	0.6
351.27069	0.8
365.24591	0.7
365.28577	2.9
367.26352	0.7
367.30316	1.2
373.27231	1.2
379.25946	0.6
381.28064	5.3
382.28329	0.6
383.29568	100.0
384.29910	13.4
385.31110	11.5
386.31381	1.1
397.27411	1.6
399.29358	0.8
400.29266	0.6
411.29593	0.7
427.28500	1.7
429.30133	91.8
430.30545	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	429.3011
Annotation	Kuguacin E
Peak:m/z	Relative Intensity
57.03435	0.6
59.01377	2.2
64.31577	0.5
66.28639	0.5
68.38927	0.5
70.32085	1.0
70.32424	0.6
71.01390	1.3
72.66683	0.6
82.14201	0.5
83.05051	0.5
90.35878	0.4
95.05044	1.5
107.05077	0.7
109.03003	1.2
125.09727	1.5
159.04520	0.4
160.15196	0.5
173.11870	1.1
174.98332	0.5
181.08688	0.7
193.08626	3.1
195.06641	0.5
221.11963	0.5
233.11972	0.5
233.14607	0.5
267.49622	0.4
327.23209	0.7
331.24677	0.6
343.26517	0.9
357.27994	1.1
367.30115	1.8
369.28342	0.9
381.28030	8.3
382.28424	1.0
383.29568	20.5
384.12949	0.5
384.30069	2.1
385.27502	1.8
385.31741	0.8
387.29010	4.4
397.27682	0.8
401.30576	3.8
411.23761	0.7
411.29279	1.0
415.28613	1.0
429.30170	100.0
430.24579	0.8
430.30478	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	429.301
Annotation	SCHEMBL16574568
Peak:m/z	Relative Intensity
59.01394	0.4
88.76677	0.4
101.33282	0.5
108.17052	0.4
187.94514	0.4
365.24677	0.8
365.28702	0.9
373.27579	2.4
381.27887	2.8
383.29553	43.5
384.29892	5.7
385.31308	3.3
427.28580	0.7
429.30127	100.0
430.30472	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	429.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72095	1.4
57.03743	1.7
66.86315	1.6
66.93071	1.6
67.39946	1.5
71.50627	1.9
97.06637	2.6
102.28777	1.9
113.09719	3.4
141.09303	5.7
141.12885	2.6
159.10277	52.2
242.89044	1.8
269.21329	3.7
285.20868	2.9
287.22284	88.9
288.22830	5.4
383.29788	1.9
385.27762	7.5
429.32248	100.0
430.26776	2.1
430.32462	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	429.3377
Annotation	Stylisterol A
Peak:m/z	Relative Intensity
51.41088	0.3
63.01537	0.3
63.55585	0.2
69.40056	1.7
70.62051	0.3
74.78658	0.3
111.04483	0.8
111.08150	0.9
122.17512	0.3
123.08140	0.9
205.08589	0.3
209.08186	1.2
247.09738	0.5
275.12943	0.6
299.12979	0.4
317.13962	4.5
318.14267	0.3
357.56461	0.3
421.32602	0.3
429.23096	3.9
429.33740	100.0
430.24011	0.5
430.34085	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	430.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58001	11.6
50.68895	11.3
51.41121	12.2
59.01382	22.4
59.35403	11.9
65.09782	12.5
69.10280	100.0
71.01368	23.1
72.22216	13.2
73.80191	12.9
89.02418	13.4
101.02422	16.2
109.02966	19.8
113.02488	13.6
125.02450	13.1
128.11490	12.8
147.45430	14.7
151.14221	14.6
152.00655	14.6
269.04855	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	430.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	19.0
59.01378	100.0
69.18138	79.4
71.01385	83.3
73.02940	15.2
74.93289	10.1
75.78901	9.9
77.05328	10.5
83.01350	11.1
85.02947	27.2
89.02435	55.2
92.66383	10.2
101.02449	61.3
108.02226	10.9
113.02436	32.9
119.03481	29.5
120.69115	12.1
123.04513	63.1
125.02430	28.5
135.02765	28.2
136.03078	15.8
137.02441	15.3
151.00319	12.6
161.04549	15.9
169.01364	24.0
177.01755	12.3
179.01756	28.0
180.02008	18.5
214.65483	13.4
265.79855	12.7
284.57458	12.5
329.98141	11.2
357.13425	20.7
387.20267	43.7
421.41812	13.3
430.14246	51.2
431.15192	73.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	23.4
69.14106	100.0
77.94720	13.0
77.95209	15.5
80.48503	11.9
89.02425	20.3
112.87601	11.8
123.04498	15.2
125.02442	18.0
135.43149	15.7
148.08000	15.0
243.80559	15.4
269.18564	14.6
310.77383	13.5
387.20285	19.4
408.89966	15.2
431.15317	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	430.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58001	11.6
50.68895	11.3
51.41121	12.2
59.01382	22.4
59.35403	11.9
65.09782	12.5
69.10280	100.0
71.01368	23.1
72.22216	13.2
73.80191	12.9
89.02418	13.4
101.02422	16.2
109.02966	19.8
113.02488	13.6
125.02450	13.1
128.11490	12.8
147.45430	14.7
151.14221	14.6
152.00655	14.6
269.04855	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	430.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67891	15.6
59.01383	86.0
62.14870	15.7
69.19557	100.0
71.01398	92.7
73.02958	27.2
85.02958	39.0
86.03245	18.6
89.02451	36.2
101.02456	59.0
101.50301	16.8
104.04510	15.8
113.02485	18.6
123.00905	20.6
125.02465	57.5
139.00357	21.4
155.19696	21.0
159.02863	18.2
161.04585	37.3
169.01405	77.8
237.51234	17.4
242.71140	17.1
284.12186	30.0
344.20889	16.9
387.20212	23.1
392.04974	21.9
393.04199	18.5
394.04663	21.1
430.02194	67.7
430.14380	21.6
430.21524	19.3
431.01526	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	431.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77719	0.8
59.01384	4.8
61.20248	0.7
69.51913	1.4
69.52329	2.5
71.01387	3.9
84.32492	0.6
85.02954	1.5
87.04517	2.3
89.02470	1.9
93.03497	1.1
98.22455	1.1
101.02483	2.4
109.02956	1.2
113.02462	1.6
119.03564	1.0
121.02963	1.6
123.04541	1.0
125.02454	0.8
127.92432	0.7
135.95908	0.6
137.02483	0.7
145.60547	0.7
148.18764	0.8
149.02420	1.2
153.09248	1.1
155.10817	0.9
165.01915	1.1
167.03407	0.8
177.02029	0.7
179.07127	1.0
183.10297	0.9
195.06638	1.3
197.06093	1.5
197.08208	1.1
199.03999	1.1
199.09819	1.0
207.10294	2.3
213.05510	0.7
225.05586	2.3
227.03510	10.1
228.03819	0.7
241.05078	100.0
242.05452	6.8
253.04980	2.3
255.02997	10.2
269.04562	56.9
269.14072	1.0
269.17581	3.8
270.05161	9.0
285.04126	1.2
289.07123	1.7
298.04840	86.2
299.05511	22.3
300.05853	1.2
431.09833	98.4
432.10318	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93542	0.7
58.80730	0.7
59.01394	3.2
68.98190	3.1
68.98617	3.1
71.01373	1.4
73.02927	1.5
76.57975	0.6
88.85726	0.7
89.02483	1.0
93.03444	0.9
101.02451	0.9
109.02949	0.9
111.00919	0.6
111.04548	0.8
121.02942	1.7
139.04080	0.7
156.17726	0.7
165.01962	1.6
165.05533	0.7
177.01981	1.2
179.07114	2.4
186.17332	0.7
192.07944	0.7
195.06599	1.7
197.06203	1.0
197.08186	1.7
207.10284	4.1
225.05544	1.6
241.05086	79.3
242.05434	5.2
243.06590	1.4
255.03023	1.8
269.04562	99.9
269.14014	2.3
270.05142	15.6
271.05881	0.8
298.04843	79.6
299.05530	22.0
300.06415	1.3
341.06711	1.2
385.77481	0.8
431.09857	100.0
432.10129	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	431.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22876	0.6
50.56826	0.6
51.19648	0.5
59.01366	1.1
59.67062	0.5
60.28327	0.5
61.57564	0.5
63.02398	0.7
69.06810	4.7
85.81738	0.6
93.03474	1.9
107.01428	2.7
109.03013	0.7
112.40892	0.6
113.45145	0.5
117.03510	0.8
123.00903	0.6
125.02499	1.0
132.02167	1.2
135.00911	1.8
135.04547	2.3
137.02518	0.6
143.05074	1.1
151.00377	1.8
157.06598	1.2
159.04480	1.5
161.02480	0.8
163.00453	1.8
163.96194	0.6
164.01132	0.8
164.04834	0.6
167.05049	1.2
169.06589	1.1
171.04581	1.0
179.03534	3.2
182.03825	0.7
183.04521	1.6
185.06128	2.3
187.04074	3.4
189.05553	0.8
195.04462	0.7
197.06030	0.7
199.03952	0.7
211.04056	4.1
213.05594	1.9
227.03511	58.1
228.03882	4.4
229.05060	10.7
230.05307	0.7
239.03510	5.6
240.04364	1.6
241.05042	1.9
243.03072	1.0
255.03006	81.1
256.03519	10.6
257.04611	6.9
258.05127	0.7
268.03864	4.4
269.04620	1.1
284.03287	68.6
285.04050	100.0
286.04456	8.5
311.56985	0.6
431.09827	60.2
432.10226	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	431.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67751	1.5
52.90298	1.5
57.06038	1.7
60.99307	11.9
69.30148	8.5
77.37617	1.5
82.35001	1.6
88.98810	100.0
89.02523	1.5
132.72603	1.7
136.52132	1.5
180.51825	1.6
212.05333	1.5
243.59706	1.7
292.97299	1.6
319.54181	1.8
403.05920	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.1
60.99311	16.0
69.13125	6.9
77.48221	1.1
82.89021	1.2
88.98813	100.0
89.02456	5.1
89.04830	1.1
95.01537	1.1
98.21783	2.6
115.28065	1.2
131.94319	1.1
214.19878	1.1
367.20306	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67736	0.6
59.01388	5.9
61.98817	0.9
69.32482	1.6
69.32872	2.1
70.74129	0.8
71.01029	0.9
71.01388	9.3
73.02930	2.1
81.03444	2.1
83.01394	1.4
85.02954	5.5
87.00865	2.8
89.02454	22.1
93.03448	1.2
95.01382	2.3
97.02917	0.9
98.21834	0.9
99.00881	1.8
101.02446	4.3
108.02180	62.8
109.02973	46.4
110.03252	1.1
113.02431	2.9
119.04954	1.3
120.99664	1.0
121.02963	2.4
123.00907	2.4
123.04576	1.0
125.02472	4.0
131.03485	1.2
133.05077	6.4
137.02405	1.2
139.04039	0.9
149.04501	1.6
151.04012	1.5
152.01161	72.9
153.01952	30.5
154.02223	1.0
161.04564	1.5
163.04065	1.8
165.01933	2.1
168.00424	0.8
169.01431	2.2
179.03622	1.1
179.05611	0.8
181.05037	0.8
195.03006	1.0
258.98007	0.7
297.06195	5.4
297.50467	0.8
315.07187	16.0
387.09341	10.1
389.14542	1.0
431.11877	100.0
432.12134	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	431.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99833	0.7
54.79426	0.8
55.01868	1.3
57.03429	1.0
59.01382	4.0
59.63550	0.8
69.52273	3.9
71.01384	11.1
73.02934	2.6
81.03449	1.3
83.01339	0.9
85.02950	5.4
87.00876	1.9
89.02449	20.3
93.03484	1.4
94.98067	0.9
95.01378	2.6
101.02439	5.4
108.02183	60.4
109.02962	45.7
110.03262	1.0
113.02429	2.8
121.02956	2.3
123.00842	1.7
123.04504	1.3
125.02477	4.1
133.05081	7.4
135.04526	0.9
135.45831	0.7
137.02351	1.1
151.03999	1.5
152.01158	74.3
153.01956	31.5
159.02965	0.8
161.04553	2.3
163.03986	1.6
165.01945	2.1
169.01396	2.6
179.05814	0.9
181.05032	0.9
243.43094	0.8
269.10355	1.9
271.71329	1.0
297.06253	8.3
315.07245	18.1
316.07645	0.9
387.09381	11.1
388.09607	1.3
431.11890	100.0
432.12195	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82071	0.5
54.64562	0.5
57.03442	0.9
59.01139	0.5
59.01387	5.4
69.03446	1.3
69.08911	4.2
71.01399	3.3
71.59190	0.6
73.02911	0.5
76.42543	0.5
79.01913	0.6
81.03452	0.7
83.01383	1.4
85.02943	1.3
87.00874	0.8
89.02436	2.7
92.24060	0.5
95.01392	1.5
95.26525	0.5
97.02984	2.7
98.21799	1.2
99.04527	0.8
101.02460	1.5
107.01398	2.3
109.02956	1.8
111.00914	1.3
113.02422	0.9
117.05575	1.4
119.03487	1.1
122.03696	0.7
123.00894	5.9
123.04518	1.4
123.33699	0.5
123.37195	0.5
124.01672	17.0
125.02457	58.7
126.02795	1.5
137.02472	3.3
139.00371	1.4
140.01147	1.1
149.99588	22.2
150.44969	0.5
151.00401	2.5
151.03986	1.9
153.01967	0.9
161.02449	0.9
165.01863	0.8
167.03497	2.3
168.00653	51.2
169.01425	18.3
170.01753	0.7
181.01543	0.5
195.03036	1.1
199.04007	0.6
211.02495	19.9
245.04440	0.6
269.04300	0.6
271.04617	22.8
272.04880	0.9
279.10855	2.1
289.07169	0.7
311.29599	0.7
313.05716	2.8
331.06647	2.3
367.73221	0.6
413.10739	1.8
431.11896	100.0
432.12180	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	431.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14528	1.1
54.17634	1.1
57.03451	52.2
59.01384	26.2
69.03429	3.1
69.07479	1.2
70.33014	4.0
71.01382	12.9
73.02908	1.6
81.03421	1.7
83.01361	2.7
85.02919	5.2
89.02450	9.4
90.16807	1.5
90.50027	1.5
95.01379	2.5
97.02968	12.9
98.89347	1.2
99.04530	31.0
101.02454	16.3
107.01369	3.0
108.72511	1.3
109.02926	3.8
111.00842	2.4
113.02454	6.5
117.05540	3.0
119.03461	6.0
123.00882	7.8
123.04558	1.4
124.01640	1.6
125.02457	100.0
126.02731	2.3
128.11530	1.3
129.09216	1.5
137.02428	2.2
138.01965	1.7
139.00322	3.2
139.04022	39.0
140.01091	3.7
151.00354	4.9
151.03947	3.4
161.02457	2.0
161.04529	3.0
167.03363	1.5
168.00569	5.1
169.00230	1.7
169.01439	22.7
169.05080	50.6
173.08215	1.6
195.06670	2.4
211.02484	19.9
243.02879	1.7
251.09267	1.6
271.04617	32.1
279.10797	7.8
289.07080	1.8
308.52634	1.2
313.08731	1.6
331.06500	1.5
331.10153	3.4
363.67627	1.4
373.11340	2.6
413.10413	2.5
431.11633	68.0
432.11871	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	431.156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	6.8
57.03450	7.5
58.28514	1.9
59.01381	84.3
69.03484	2.2
69.11156	6.1
69.11578	9.3
71.01387	99.3
73.02947	36.1
74.07635	2.4
81.03449	2.9
83.01400	16.5
85.02952	47.9
87.00878	4.5
89.02444	24.8
93.03497	2.7
95.01386	9.3
97.02963	4.3
98.22540	5.0
99.00877	15.1
101.02448	88.2
109.02966	5.0
111.00920	2.8
113.02464	44.0
117.05580	4.8
119.03498	8.2
121.02960	5.7
123.00870	3.6
124.01668	5.6
125.02462	98.0
126.02784	2.9
135.04509	2.1
137.02475	5.5
143.03493	6.0
151.04034	4.5
159.03024	7.7
160.46146	2.3
161.04561	49.5
168.00635	9.1
169.01445	100.0
170.01834	3.5
179.03529	5.0
211.02531	2.4
233.62408	2.2
247.38893	2.3
247.54480	2.2
269.10330	47.9
270.10666	2.4
289.07098	3.7
313.05542	3.7
331.06644	5.3
340.52554	2.3
371.13394	7.4
373.07611	3.0
388.27100	2.9
431.10855	54.8
431.16113	25.6
432.11844	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	431.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08923	1.3
55.01879	9.3
57.03453	3.9
58.00578	2.3
59.01380	65.2
69.20489	3.5
69.20906	6.3
71.01384	80.5
72.01752	1.7
72.53666	1.6
72.99310	4.7
73.02950	25.4
83.01392	15.5
85.02956	38.1
87.00907	2.9
89.02454	26.3
95.01396	4.4
97.02961	3.7
99.00884	9.7
99.83163	1.4
101.02450	100.0
102.02849	1.7
113.02457	38.7
119.03519	10.8
125.02486	4.0
131.03574	1.7
143.03494	5.4
159.03006	5.6
161.04561	40.9
179.05652	3.4
238.72704	1.5
269.10297	70.8
270.10657	3.4
375.18701	1.3
431.15625	31.7
432.16190	2.1
444.59171	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.5
58.38137	0.7
59.01375	3.4
69.21581	5.0
70.05800	0.7
71.01369	2.7
83.01397	1.2
85.02936	1.1
88.98779	1.0
89.02449	3.0
92.67142	0.8
93.03482	1.3
95.01434	1.1
101.02452	1.8
109.02934	1.2
113.02444	1.0
116.64609	0.8
119.03507	0.8
123.00875	1.2
123.04536	1.2
125.02451	12.4
133.16055	0.7
135.04530	9.1
137.02458	2.7
141.99330	0.7
147.04532	3.6
151.04045	2.1
161.02388	1.9
161.04559	1.0
161.06116	2.2
169.01482	4.7
177.02043	0.9
179.03430	1.0
180.07928	45.8
181.08415	1.5
192.07942	33.2
193.08737	6.1
195.10266	16.6
195.11942	1.6
196.10507	0.8
207.10286	25.0
208.10612	0.8
210.08987	21.5
211.09413	0.8
223.09624	0.8
225.11334	100.0
226.11661	6.5
243.03061	1.1
269.04453	1.0
275.02054	0.8
298.99448	0.8
299.99063	0.9
300.99893	2.2
320.39420	0.7
431.12048	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	431.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.6
58.00576	3.1
59.01382	100.0
69.20120	7.2
69.20517	2.7
71.01389	39.1
72.99290	2.4
73.02943	3.1
81.87241	1.3
83.01385	1.4
85.02962	8.4
87.00901	2.6
89.02453	39.3
93.03463	2.9
95.01392	4.6
97.02937	1.6
98.21829	1.9
101.02452	22.4
109.02937	1.7
111.00899	2.3
113.02454	15.8
117.05587	2.6
119.03508	15.4
121.02969	11.2
123.00919	7.4
124.01677	3.3
125.02465	16.9
131.03496	2.7
135.04565	3.3
137.02443	5.7
139.00369	4.9
143.03497	2.7
149.02577	1.7
149.04576	1.6
149.99594	3.9
151.00392	5.8
161.04692	2.9
167.03488	2.0
168.00644	8.9
169.01437	9.3
179.03482	4.2
179.05626	4.9
194.05830	4.5
209.04553	1.6
209.08200	10.4
225.32176	1.2
257.30850	1.3
269.10321	3.1
357.13715	1.5
371.13547	2.8
372.13846	1.3
431.10944	7.0
431.16281	35.9
432.14874	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	431.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25838	4.2
59.01384	59.2
69.11565	6.2
69.11971	27.4
71.01382	37.4
73.02950	11.7
78.84070	4.2
83.01385	6.3
85.02974	8.8
89.02460	27.5
93.03469	37.5
96.43040	5.2
101.02446	31.4
104.49100	4.9
107.01388	5.7
111.00888	5.9
111.76034	5.0
113.02450	21.7
119.03509	7.8
123.00875	14.3
125.02461	27.7
137.02443	18.7
139.00507	5.7
151.00323	11.7
161.04579	10.6
168.30757	4.9
169.01360	22.2
179.05626	14.1
281.06702	5.9
300.76245	4.8
325.43466	5.1
372.12341	5.3
431.15533	100.0
432.16028	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	431.1712
Annotation	Ananolignan C
Peak:m/z	Relative Intensity
59.01369	3.0
64.14769	1.1
69.05248	6.7
69.05655	1.9
78.95895	3.2
83.01408	5.1
84.77106	0.9
85.02950	7.7
87.04552	1.2
95.05018	1.2
109.02953	1.2
109.06599	5.9
111.00893	24.9
111.04534	5.8
113.02438	1.6
113.09754	9.9
119.05032	1.7
123.08176	1.2
125.06100	30.2
125.09743	1.0
125.27838	1.1
126.06400	1.1
126.72638	1.1
137.06110	3.0
139.03951	1.0
145.02974	4.7
151.07643	1.5
152.99588	5.9
155.07198	1.1
163.04013	1.6
165.01941	2.4
166.06317	1.9
167.07065	1.1
169.08682	1.6
179.07138	3.0
181.05251	5.1
181.08722	69.3
182.09010	4.4
183.06664	2.0
191.07106	3.0
193.08656	4.2
195.06648	6.4
197.08206	33.6
203.07336	1.1
205.08676	2.7
207.06700	1.8
207.10268	6.1
209.08192	7.2
217.08711	1.9
219.06647	8.1
221.04442	0.9
221.08284	1.8
223.06343	1.3
223.09743	1.1
229.08971	1.1
231.06642	4.3
231.10201	1.7
233.08195	3.6
237.07744	1.3
245.08282	2.1
246.09027	9.0
247.06143	1.3
247.09552	1.4
249.07510	1.5
249.11382	1.9
249.38748	1.0
261.07672	4.4
261.11227	5.9
262.08487	4.1
275.05634	1.5
275.09134	1.5
277.10855	5.6
279.12207	1.4
287.09439	1.9
305.10327	71.1
306.10669	4.7
311.12772	2.2
313.07230	2.3
319.11771	1.3
335.82156	1.0
339.12378	1.7
340.13199	1.3
345.13422	2.5
354.14755	16.6
355.15427	3.9
355.31192	1.1
369.17139	22.0
371.14853	4.9
371.29507	3.9
373.13336	1.2
385.16180	1.4
387.18121	4.4
387.32660	3.7
413.16122	31.6
414.16431	3.5
425.41125	1.1
431.17111	100.0
431.31802	38.0
432.17389	12.4
432.32022	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	431.171
Annotation	Ananolignan C
Peak:m/z	Relative Intensity
51.28971	1.2
59.01361	3.0
61.57344	1.1
68.99801	1.8
69.05209	10.9
78.95904	7.6
83.01377	5.9
85.02947	7.5
87.04496	1.8
100.86987	1.5
109.06576	5.3
111.00879	26.4
111.04494	5.7
113.09719	8.7
125.05251	1.9
125.06091	25.6
137.06039	6.0
137.06960	1.3
145.03008	3.1
151.07632	2.1
152.99585	13.2
155.07169	1.9
165.01938	2.8
165.09230	2.0
167.07057	1.9
169.08730	2.0
177.05620	1.2
179.07111	4.1
181.05133	16.9
181.08719	66.6
182.09021	3.8
183.06569	2.3
191.07155	3.0
193.08665	3.9
195.06615	13.4
197.08199	32.1
198.08522	2.0
205.08638	2.5
207.06631	1.9
207.10246	8.8
209.08162	5.4
219.06662	9.1
231.06575	5.6
233.08258	2.7
246.09006	9.2
247.05788	1.2
249.07779	1.7
249.11208	2.8
261.07654	2.9
261.11267	5.2
262.08405	3.2
269.36533	1.3
277.10767	6.5
278.11044	1.7
305.10327	69.1
306.10565	5.1
315.16165	1.5
319.11826	2.6
339.12241	3.0
345.13364	3.5
354.14716	17.0
355.11740	2.5
355.15637	2.3
369.12903	1.9
369.17099	22.1
369.27780	3.2
370.17432	1.5
371.14832	4.7
371.29562	1.4
376.27643	1.4
387.17996	3.9
387.32584	2.9
392.75864	1.4
413.16043	31.0
414.16302	4.7
431.16983	100.0
431.31876	35.3
432.17191	11.2
432.31799	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	431.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19244	0.3
55.70971	0.3
57.48582	0.3
69.33788	2.2
79.01899	0.4
86.10255	0.4
95.05035	0.4
104.58823	0.3
106.86575	0.3
107.05036	1.4
109.06606	0.5
111.04526	5.9
122.03751	0.4
123.04529	4.3
123.08179	0.7
139.04021	1.1
145.82886	0.3
149.02405	0.4
151.04015	10.8
151.07637	2.2
152.04407	0.4
165.09209	3.6
167.51846	0.4
175.07687	0.4
177.01935	1.4
177.09270	0.6
177.27892	0.3
193.08682	3.3
195.06644	9.5
196.07013	0.7
203.07150	6.0
204.07480	0.5
209.08205	13.9
210.08577	0.8
221.08199	100.0
222.08563	6.6
222.10712	0.6
235.09744	0.8
244.97278	0.3
248.06934	1.0
248.10219	0.4
249.11414	1.0
262.08295	0.7
263.09286	3.1
277.10788	1.1
315.25348	0.3
319.11804	0.7
372.54843	0.4
431.16251	2.8
431.23846	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00350	0.8
69.08968	1.4
69.09383	2.9
71.01292	0.6
81.03461	2.6
83.01398	1.1
85.06580	0.7
87.04506	1.0
93.03487	0.7
95.05030	1.9
106.67639	0.5
107.05032	1.7
109.02954	2.8
109.06607	2.5
111.04527	5.4
121.02870	0.7
121.06548	0.5
123.04554	4.4
123.08125	0.6
125.02448	2.3
125.06091	5.9
131.36478	0.6
133.06577	0.8
136.05263	0.7
137.02464	13.8
137.09721	0.6
139.03998	1.7
145.06519	0.5
149.02470	1.1
151.00458	0.9
151.04025	15.6
151.07655	18.2
163.00366	2.8
163.07642	1.3
165.01988	0.6
165.09286	0.9
177.01968	3.7
177.05574	1.1
179.07135	1.7
179.10779	5.2
181.08673	0.9
189.05571	6.6
191.10773	0.6
193.08708	1.1
195.06635	65.3
196.06955	3.2
202.06326	1.0
205.12222	0.7
207.06638	100.0
208.06969	5.7
209.08191	3.8
217.08682	2.8
219.10181	0.7
219.13860	0.8
221.08220	13.7
222.08640	0.6
223.09761	16.7
235.09772	88.4
236.10095	6.5
248.06938	2.1
249.11324	3.2
262.08521	1.6
263.09302	5.1
263.12833	4.5
264.79803	0.6
277.10797	1.5
289.14380	2.6
305.10291	0.6
319.11899	0.9
384.34604	0.6
431.16571	4.0
431.21133	10.4
431.30713	1.2
431.31680	0.9
432.21194	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.9
59.46080	1.3
61.98848	8.0
69.07234	12.0
74.99088	8.3
96.96026	8.4
98.95634	1.5
99.92593	55.3
100.92638	2.6
100.93388	3.3
115.92085	84.5
116.92142	5.3
116.92870	100.0
117.88354	1.2
117.92884	6.2
136.99109	7.1
146.03714	1.8
148.50510	1.3
156.92400	1.6
161.43413	1.4
225.02235	3.8
267.34311	1.4
327.48196	2.0
331.24860	4.4
365.14224	2.6
371.20367	1.7
383.15216	2.4
384.55136	1.3
387.18265	2.4
391.12244	2.9
392.86545	1.4
395.15326	25.3
396.15659	3.2
409.13309	4.8
413.12772	2.0
428.72592	1.4
431.17450	51.0
431.27805	2.7
432.17618	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06953	1.6
55.01866	2.4
57.03444	1.9
58.00599	1.7
59.01382	43.9
59.13357	1.7
63.75660	1.5
69.03447	5.3
69.38964	1.7
71.01387	35.4
71.70056	2.0
72.99322	3.0
73.02934	8.2
75.63859	1.7
76.91590	1.7
78.53242	1.7
83.01400	5.1
85.02956	12.6
87.00870	2.5
89.02449	37.8
95.01411	3.5
97.02951	4.1
99.00946	2.6
101.02457	28.2
107.01421	4.6
108.02242	2.0
109.02948	3.1
111.00883	3.0
111.18620	1.6
113.02458	18.3
117.05573	3.4
119.03532	13.2
123.00897	13.7
124.01679	26.4
125.02460	86.2
137.02434	6.3
139.00319	4.0
140.01256	2.4
143.03505	4.8
149.04507	3.4
149.99597	32.1
151.00362	5.9
151.03978	2.2
153.01990	3.9
159.02974	2.5
161.04581	11.0
167.03421	2.4
168.00661	64.6
169.01443	46.6
169.05034	2.6
179.05630	12.0
211.02467	5.1
224.14943	1.7
258.92575	1.8
269.10239	15.1
271.02063	1.9
271.04709	5.9
276.49155	1.8
313.05786	4.8
331.06647	2.4
388.20731	3.5
413.10446	2.6
422.34021	1.9
431.11353	100.0
432.11423	8.7
436.04227	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	431.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90951	0.8
57.03448	0.9
58.00597	1.5
59.01382	38.5
69.38549	1.4
69.38941	2.6
71.01385	21.7
72.99312	1.9
72.99912	0.9
73.02912	1.0
85.02946	5.1
87.00887	0.7
88.14975	0.8
89.02446	23.1
92.06046	0.7
95.01383	2.0
96.02256	0.8
96.35007	0.8
98.21841	1.2
99.04527	22.8
101.02450	10.6
109.03017	0.8
109.06580	0.9
111.04555	1.4
113.02451	7.1
119.03509	6.5
121.06534	1.2
131.03445	1.0
143.03468	0.9
151.00424	1.4
161.04536	1.3
179.05519	2.1
189.12833	5.1
207.12003	1.5
207.13910	28.6
208.14194	2.3
227.03494	1.9
229.04939	0.9
251.12901	100.0
252.13217	7.0
255.02950	3.0
256.03494	0.9
269.13834	2.8
284.03195	3.5
285.03885	3.0
336.25168	1.0
343.19254	1.0
370.24011	1.2
431.09464	2.5
431.19034	38.2
432.19229	4.0
432.24536	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2077
Annotation	Grandisin
Peak:m/z	Relative Intensity
59.35104	0.3
70.02425	1.1
79.66159	0.3
80.19222	0.4
81.03468	3.1
83.01400	0.5
85.06585	0.9
87.04516	0.7
98.21865	0.4
102.05247	0.3
109.06592	1.8
111.04535	2.9
113.09707	0.6
125.02454	2.8
127.07668	0.7
133.06606	1.0
136.05331	0.6
151.00438	0.5
151.07669	24.6
152.07983	1.3
153.05591	0.5
177.05559	1.1
181.08716	2.3
195.06647	100.0
196.06989	4.3
203.10863	0.5
205.12451	0.4
249.11339	5.4
250.11722	0.6
317.22119	0.3
335.85583	0.3
431.20755	18.8
432.21112	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2076
Annotation	Grandisin
Peak:m/z	Relative Intensity
55.26186	0.6
58.50797	0.7
67.11594	0.8
69.03448	3.3
69.10767	1.6
69.11169	5.9
71.05025	1.0
72.78181	0.7
81.03450	1.4
84.89322	0.7
85.02959	8.1
85.06600	4.8
87.04504	4.7
92.24911	0.7
95.05044	1.5
98.22675	1.2
100.52570	0.7
109.02972	1.3
109.06584	1.4
110.91990	0.8
111.04526	19.1
113.02453	3.8
113.06108	4.0
113.09722	1.0
117.45447	0.8
121.06601	1.6
123.08189	1.5
125.02416	1.0
139.07668	7.3
141.09207	8.2
151.07661	9.6
155.07155	7.7
157.08719	1.8
158.03589	0.7
161.05943	0.8
165.05379	0.9
167.07173	1.2
171.82642	0.8
177.05553	1.1
179.07109	4.0
179.10799	1.4
181.04950	0.9
181.08673	5.9
183.06624	84.3
184.07036	3.8
195.06624	33.7
196.06929	1.9
197.08214	3.7
205.05081	1.4
205.08714	1.2
207.06602	2.5
209.08253	1.0
217.08844	0.9
219.06703	1.8
219.10219	3.2
220.07454	2.2
221.08150	3.7
221.11778	1.4
223.09758	6.4
231.10234	1.7
232.11128	0.9
233.06023	1.5
233.08195	27.3
234.08394	1.2
235.09734	4.9
235.13329	3.6
238.84029	0.9
245.08200	1.0
246.09013	2.1
247.09769	6.2
247.13379	5.6
248.06998	3.9
248.10539	58.4
249.11127	8.8
249.14928	1.1
261.07419	1.0
261.11356	1.2
262.08411	2.3
263.09241	12.7
263.12842	40.0
264.09747	1.0
264.13293	2.9
265.14255	1.1
275.13040	4.2
289.14481	2.1
291.12390	6.0
317.17505	3.2
319.11731	5.0
333.17120	0.9
360.22333	1.1
361.16394	3.1
413.19727	1.4
431.20694	100.0
432.15549	1.3
432.21014	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	431.2078
Annotation	Grandisin
Peak:m/z	Relative Intensity
52.41943	0.8
55.87778	0.7
69.03469	3.5
70.61927	1.0
71.05032	0.8
82.36549	0.7
85.02956	7.2
85.06590	3.8
87.04507	3.7
95.05065	1.1
96.02161	1.3
111.04530	15.2
113.02423	2.8
113.06064	3.1
113.09717	0.8
121.06565	1.4
135.08093	0.8
139.07658	5.8
141.05591	0.8
141.09270	5.5
151.07669	3.5
155.07156	6.9
157.08633	1.3
167.07098	1.3
179.07068	2.5
181.08687	5.8
182.93866	0.8
183.06635	66.0
184.06900	3.0
195.06624	16.6
196.06842	0.9
197.00760	0.8
197.08133	2.9
205.04976	1.4
206.05852	1.2
209.08012	1.0
219.06700	3.6
219.10185	1.7
220.07291	1.6
221.11983	0.9
231.10210	1.8
233.08180	24.7
234.08406	1.2
235.13252	1.3
246.08830	1.7
247.07362	1.1
247.09747	14.4
247.13300	3.2
248.10535	47.4
249.11130	7.3
249.14827	0.8
261.11148	1.6
262.12115	1.5
263.12894	30.4
264.13242	2.3
265.14337	1.6
275.12759	2.9
291.12427	4.0
317.17450	2.7
361.16367	2.1
403.21320	1.1
431.20483	100.0
432.20844	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	431.2077
Annotation	Melleolide B
Peak:m/z	Relative Intensity
50.61208	0.5
57.92760	0.5
65.16254	0.6
70.12204	2.0
71.05024	1.3
78.95908	12.4
79.01908	1.6
81.03468	0.9
82.96481	0.6
83.01370	1.2
95.05032	6.7
96.96941	1.2
97.02966	3.3
109.06612	3.4
111.04547	0.8
113.09720	0.7
121.02982	2.0
136.05278	1.0
137.06088	13.4
138.06406	0.7
139.03044	1.1
139.04027	12.5
151.06416	1.2
151.07660	23.6
152.07954	1.0
152.99606	19.5
165.01945	1.7
165.09215	1.8
177.05554	1.3
181.05075	61.9
181.08508	4.1
182.05434	2.4
193.08849	0.7
195.06630	100.0
196.06976	5.4
209.08200	9.6
220.67664	0.6
223.09709	1.3
223.20126	0.6
249.11320	9.8
317.10397	0.6
431.20807	29.2
432.21426	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	431.2207
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
50.69227	0.3
53.38950	0.2
56.83796	0.3
59.17140	0.3
69.01292	2.0
78.95911	62.6
79.46700	0.2
96.96973	7.2
98.21796	0.6
111.55246	0.2
122.58310	0.2
137.06071	0.4
146.81924	0.3
147.07600	0.3
150.98029	2.5
151.07672	0.4
152.99602	100.0
153.99962	1.0
171.00674	3.8
173.74294	0.2
181.05148	0.9
184.49402	0.2
195.06638	2.1
277.21735	0.6
297.40195	0.3
431.22174	3.3
431.31509	0.4
432.22369	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31863	0.8
55.01900	0.8
57.03452	1.1
59.01382	100.0
59.67824	0.8
60.01688	0.7
60.84234	0.7
61.98818	1.8
69.65176	3.5
71.01392	13.3
72.99309	1.3
73.02950	3.6
83.01389	2.8
85.02946	5.9
87.00900	1.2
89.02444	3.9
95.01385	1.8
97.02985	1.0
98.22493	1.6
98.47624	0.8
99.00887	1.4
101.02446	12.9
107.01392	0.9
113.02462	6.4
119.03527	2.6
125.02466	2.4
133.03001	1.9
135.04517	2.9
143.03551	1.0
145.02957	0.9
147.12448	0.8
151.00383	1.3
151.03964	1.3
161.02437	2.9
161.04544	7.7
164.04771	1.3
176.91699	0.9
177.05568	1.1
178.99913	0.8
179.03476	1.3
209.15466	1.7
225.09236	14.5
251.05605	2.6
269.04514	1.0
269.08136	2.3
282.14081	0.8
341.02911	1.8
355.67957	0.7
371.20752	17.2
372.21231	2.3
431.06256	2.4
431.22983	2.5
432.24280	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	431.2288
Annotation	Integrifoside C
Peak:m/z	Relative Intensity
55.01873	2.7
57.03440	2.3
58.00604	1.4
59.01381	38.0
65.24143	0.6
68.79755	0.6
69.02776	2.4
69.03200	2.6
71.01385	36.2
72.99299	1.5
73.02947	8.1
83.01408	5.2
85.02961	15.3
85.03482	0.7
87.00862	1.0
87.04513	3.3
89.02449	13.8
95.01404	3.8
97.02972	0.7
99.00874	3.6
101.02448	23.5
102.02785	0.6
113.02452	12.8
119.03503	4.7
125.02494	0.9
133.02975	4.1
135.04503	0.8
143.03514	0.9
159.02997	1.4
161.02458	8.0
161.04526	3.9
163.04131	0.6
170.22714	0.5
179.05614	1.1
181.08719	1.5
251.12875	0.7
251.16495	1.5
269.04541	1.1
269.17557	1.8
298.04773	0.9
372.46674	0.7
387.23654	1.1
431.13406	3.5
431.22870	100.0
432.23209	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	431.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57658	1.4
57.03439	2.7
59.01382	100.0
60.01702	1.6
69.29964	2.9
69.30369	5.5
71.01033	2.0
71.01385	25.5
73.02945	5.6
83.01383	1.9
85.02962	8.8
87.00895	2.0
89.02448	20.8
99.00868	2.3
99.04565	3.3
101.02448	17.5
103.51048	1.5
104.09051	1.3
113.02448	11.5
119.03522	7.8
125.02382	1.6
131.03551	1.3
135.04527	4.5
143.03497	1.4
159.03018	1.7
161.04552	7.7
165.05539	1.4
179.03522	5.1
207.13889	5.0
221.32553	1.4
233.76767	1.5
237.75851	1.2
251.05640	3.4
251.12885	25.4
269.13977	1.6
371.20761	13.7
431.18311	3.7
431.23846	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	431.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	4.1
59.01392	1.3
69.03448	0.7
74.28448	0.5
83.05051	1.2
91.20635	0.6
95.05062	1.1
97.06602	11.4
97.07235	0.7
98.22523	1.6
100.15430	0.5
111.04539	1.0
123.08176	5.6
125.09736	100.0
126.10080	3.9
133.28989	0.6
141.23543	0.7
143.10808	1.8
164.78419	0.7
169.08701	3.4
181.08711	1.3
187.09773	94.4
188.10092	6.3
195.06595	1.6
209.08174	1.2
223.17162	0.9
249.04060	1.3
261.13446	23.5
262.13681	1.7
353.28534	0.7
387.29218	0.7
431.13181	1.2
431.22708	51.5
431.65884	0.6
432.23169	6.7
432.28171	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.8
59.01380	1.3
67.81253	0.5
69.03458	0.7
70.32018	0.7
70.32352	1.2
71.01372	0.6
78.19873	0.5
83.05033	1.7
95.05067	1.2
97.06599	12.9
106.11219	0.5
111.04545	2.0
111.08209	0.9
123.08182	6.2
125.09734	100.0
126.10025	3.4
143.10777	1.1
149.11940	0.5
149.14586	0.5
169.08734	3.1
171.18338	0.5
187.09772	80.6
188.10045	3.3
209.08249	1.3
243.12309	0.7
261.13443	22.1
262.13809	1.4
281.17551	0.7
301.20377	0.6
345.22806	2.0
346.23340	0.6
369.31122	0.6
387.29169	0.9
413.26926	0.7
425.51764	0.6
431.22748	46.8
431.27576	3.7
432.23056	4.4
432.28351	0.9
438.42258	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2435
Annotation	Leucosesterlactone
Peak:m/z	Relative Intensity
51.89767	0.2
56.46231	0.2
67.05519	0.3
68.99810	0.4
79.01902	0.3
80.04928	0.2
81.03456	0.5
83.05025	0.4
85.06606	0.6
87.04509	1.3
95.05023	0.7
97.06583	0.5
98.22560	0.3
102.83495	0.2
107.04989	0.3
109.02959	0.2
109.06598	0.4
109.76324	0.2
111.04527	17.7
112.04837	0.4
119.05019	0.3
120.05864	0.4
123.08173	0.4
125.02412	0.2
125.09727	2.3
131.05042	0.2
133.06607	0.4
135.08144	0.3
137.09779	0.3
147.08148	0.5
149.06078	0.5
149.09770	0.2
150.06779	0.3
151.06563	0.3
151.07657	2.8
159.04552	0.5
163.03955	0.4
163.07634	0.4
163.11307	2.2
164.08398	0.3
165.12842	0.4
175.07628	0.5
176.04803	0.4
177.01967	0.6
177.05571	5.4
180.37981	0.2
181.08711	0.8
191.03461	0.2
191.07155	1.7
191.14368	0.2
192.07841	0.3
193.08626	0.5
195.06628	10.5
196.07013	0.4
201.09352	0.2
203.03534	1.6
203.10770	0.4
204.04272	1.5
205.05042	1.7
205.08682	0.3
207.06488	0.2
207.10240	0.3
208.07408	0.5
217.12386	0.5
219.06633	20.0
219.09984	3.2
219.13829	3.0
220.07002	1.3
220.10587	0.3
221.08206	1.2
229.08722	3.4
232.07344	0.6
233.08215	3.2
233.11780	0.5
234.08554	0.3
234.12602	0.7
247.09750	100.0
248.07495	0.2
248.10104	6.0
249.11218	0.9
261.11288	2.5
262.12088	7.9
263.12836	2.0
264.13354	0.2
269.19351	0.2
273.14890	0.4
287.19766	0.2
294.11197	1.2
336.51614	0.2
343.19101	0.9
361.20129	0.3
387.25381	1.1
431.24414	73.2
432.24741	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	431.2438
Annotation	Leucosesterlactone
Peak:m/z	Relative Intensity
52.96369	0.4
55.01871	0.4
57.03434	1.2
64.16549	0.4
69.03406	0.5
81.03439	1.2
83.05034	0.8
85.02945	1.1
85.06578	1.5
87.04510	2.0
88.43029	0.4
93.55330	0.4
95.05010	1.3
97.06609	0.5
107.05012	0.4
109.02956	0.6
109.06595	0.8
111.04534	19.4
111.08121	0.6
112.04810	0.5
113.09739	11.4
119.05065	0.5
123.08136	1.4
125.02454	0.7
125.09730	1.6
127.07629	0.6
133.06546	0.7
135.08118	0.4
136.05380	0.4
147.08157	0.5
149.09731	0.7
151.04062	0.6
151.07661	8.0
163.07632	0.6
163.11296	2.3
166.06378	1.1
175.07671	0.7
177.05556	5.0
177.09224	0.5
181.08717	100.0
182.09056	5.0
191.07143	2.2
192.07645	0.5
193.08725	2.9
195.06639	24.6
196.06995	1.5
203.03444	2.1
203.10841	1.1
204.04248	1.2
205.05074	1.6
205.08803	0.7
207.10170	0.5
207.79037	0.4
217.12376	1.6
219.06638	17.9
219.10048	2.8
219.13873	3.7
220.07082	1.3
221.08116	1.0
229.08714	3.5
232.07423	0.4
233.08208	3.2
233.11960	0.5
245.11755	0.5
247.09756	86.0
248.10117	5.9
249.11391	1.4
261.11255	2.5
262.12100	7.6
263.12875	22.6
264.13226	1.6
279.12650	1.0
291.19717	0.4
294.11096	1.4
343.19125	0.9
347.18649	0.6
387.25388	1.9
413.23700	0.5
431.24500	91.8
432.24829	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	431.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.3
69.42239	2.4
69.42641	4.5
71.01407	1.1
78.95910	2.1
87.60133	1.0
92.61372	1.2
98.22496	2.2
99.04527	1.4
117.05581	3.2
122.34515	1.1
125.09745	4.0
127.11288	5.8
152.99614	3.6
155.10791	2.1
157.12381	3.0
171.10336	1.7
187.13524	1.6
201.11259	1.6
295.22787	1.4
311.22208	1.1
313.23926	6.8
329.23303	4.2
331.24908	100.0
332.25211	8.4
334.29086	1.1
371.25937	1.6
382.83487	1.1
387.29077	1.3
431.23370	1.2
431.30109	11.3
432.29956	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	431.317
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	0.3
59.01381	0.3
69.11280	1.6
69.11687	0.4
72.41969	0.3
80.02653	0.5
96.95992	0.4
133.99306	0.2
145.35718	0.2
148.29697	0.3
149.09872	0.3
151.11256	0.3
152.99709	0.5
176.23456	0.2
211.83136	0.3
337.25833	0.4
343.26752	0.4
351.26804	0.3
367.30124	4.8
368.30188	0.5
385.31448	0.5
387.24939	0.4
387.29034	1.2
387.32947	1.2
431.31772	100.0
432.32071	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	431.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02181	0.3
57.03429	0.3
58.65179	0.3
64.41333	0.3
78.95908	1.0
84.36848	0.3
85.00849	0.3
98.22548	0.8
100.25597	0.3
140.66164	0.3
145.02928	0.8
145.86232	0.3
152.99615	2.3
172.72171	0.3
225.12875	0.3
367.30148	1.3
383.29517	3.3
385.31195	6.2
386.31445	0.8
387.32715	18.7
388.33163	2.4
431.31702	100.0
432.32025	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	431.3167
Annotation	CHEBI:86434
Peak:m/z	Relative Intensity
61.98798	0.4
65.89082	0.3
69.17026	0.9
69.17445	1.1
71.10352	0.3
73.02915	0.3
79.77646	0.2
92.73172	0.3
95.80191	0.3
110.87317	0.3
127.53981	0.3
152.99619	0.3
180.43776	0.3
197.10869	0.3
256.37253	0.3
341.28723	0.3
356.18939	0.3
369.28186	0.3
383.29721	2.1
384.29984	0.4
385.31131	4.7
386.31500	0.7
387.28683	0.4
387.33005	1.9
411.29187	0.6
431.31708	100.0
432.32037	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	431.3169
Annotation	4-cholesten-7alpha,12alpha,24-triol-3-one
Peak:m/z	Relative Intensity
57.03432	0.4
59.01381	0.5
65.00343	0.4
70.38581	0.4
71.05012	0.3
79.01855	0.3
83.01411	0.4
83.05038	0.3
95.05027	0.8
99.00899	0.7
103.18482	0.2
109.02934	0.4
109.06599	0.3
111.00889	1.2
111.04533	4.2
113.06096	0.5
113.09730	0.7
123.08175	1.1
124.01648	0.3
125.06102	1.7
139.04053	0.3
141.05577	1.1
151.07632	0.6
153.01889	0.5
165.09253	0.8
169.05081	13.2
170.05339	0.4
177.05644	0.8
181.05066	1.8
181.08717	4.0
193.08612	0.3
195.06648	14.4
196.07004	0.6
204.40462	0.2
205.08888	0.3
206.06033	0.4
206.09456	0.3
209.08214	3.4
219.06648	0.5
221.08228	1.0
223.09715	1.6
247.06181	0.5
247.09750	0.4
248.06956	0.6
249.07622	0.5
249.11331	5.3
261.07730	0.8
262.08423	0.5
275.09290	1.0
275.12955	1.0
277.14429	1.0
278.93927	0.3
301.07242	0.7
319.15567	0.3
343.08154	1.5
343.11887	0.4
351.26862	1.4
367.26074	0.4
367.30170	3.0
369.28018	0.5
371.11252	1.5
371.15482	0.5
387.18158	0.4
387.28781	0.4
387.32858	0.8
389.12393	0.6
403.17911	0.4
413.30698	10.8
414.31052	1.6
431.17114	2.1
431.31714	100.0
432.32059	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	431.317
Annotation	CHEBI:86434
Peak:m/z	Relative Intensity
58.90051	0.8
67.97244	0.9
69.72597	1.5
69.72953	4.1
78.95915	1.3
79.89473	0.9
85.54280	0.9
91.74966	0.8
98.21922	1.3
152.99631	2.3
164.97705	0.8
195.06573	1.2
200.58621	1.1
263.09186	1.2
324.37195	1.1
371.29895	1.5
431.31680	100.0
432.32089	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	432.0609
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49280	1.4
55.66457	1.4
57.03448	2.7
59.01376	6.7
69.45532	3.8
69.45917	3.3
71.01394	7.0
73.02933	3.1
79.95719	2.6
80.96535	3.2
83.01404	1.9
83.57080	1.7
85.02917	2.4
89.02457	3.5
96.96017	86.6
97.02966	1.7
98.22514	2.3
101.02448	8.4
109.02955	2.4
111.81566	1.4
113.02441	1.7
123.04560	1.8
123.65742	1.5
125.02454	22.5
130.06613	4.4
131.03725	2.1
137.02466	5.2
138.97096	12.7
142.06633	3.5
144.04568	7.5
144.08217	7.9
146.06123	37.4
147.06459	1.8
151.04001	6.0
156.08127	1.6
159.23538	1.6
160.07695	9.1
161.02405	2.9
164.98656	2.9
165.01903	1.6
169.01476	2.2
170.06105	3.3
172.03993	1.4
174.09207	2.5
175.04047	1.7
177.01933	2.6
186.05594	4.4
188.07166	14.0
190.05135	18.8
197.08238	2.2
198.99179	4.5
206.08347	1.8
232.06102	4.1
241.00229	19.5
243.02939	1.9
289.07184	3.2
308.11200	1.8
352.10410	28.2
369.18307	1.8
432.06085	100.0
433.06241	9.8
433.13272	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	432.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.6
56.21700	2.3
56.33172	2.2
57.03441	6.7
59.01382	100.0
61.98835	3.7
71.01387	58.9
72.99332	2.7
73.02950	12.6
73.03310	2.5
75.00880	2.7
83.01402	5.6
85.02952	23.9
87.00892	6.8
89.02451	36.4
95.01388	5.6
99.00865	4.0
101.02436	36.3
104.70739	2.1
108.02184	14.8
109.03059	13.7
110.03305	5.6
113.02466	28.5
117.80226	2.2
119.03518	15.7
120.99680	3.9
123.00868	4.7
123.04510	6.9
125.02461	32.0
133.05093	2.3
137.02441	7.5
139.03957	2.5
143.03497	4.7
151.04015	10.8
152.01164	19.3
153.01729	14.3
154.02298	4.6
161.02422	8.1
161.04550	34.0
165.02036	3.6
169.01405	7.3
175.03976	2.9
179.03519	7.2
179.05687	4.3
181.08701	19.7
194.05786	7.2
209.08217	24.8
219.31604	2.5
227.09317	6.1
240.54674	2.5
289.07220	5.5
298.06870	3.5
346.72522	3.1
354.74091	2.7
373.15042	42.8
388.09790	5.0
389.14560	6.0
419.18076	2.9
432.12244	39.8
433.13403	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.6
56.21700	2.3
56.33172	2.2
57.03441	6.7
59.01382	100.0
61.98835	3.7
71.01387	58.9
72.99332	2.7
73.02950	12.6
73.03310	2.5
75.00880	2.7
83.01402	5.6
85.02952	23.9
87.00892	6.8
89.02451	36.4
95.01388	5.6
99.00865	4.0
101.02436	36.3
104.70739	2.1
108.02184	14.8
109.03059	13.7
110.03305	5.6
113.02466	28.5
117.80226	2.2
119.03518	15.7
120.99680	3.9
123.00868	4.7
123.04510	6.9
125.02461	32.0
133.05093	2.3
137.02441	7.5
139.03957	2.5
143.03497	4.7
151.04015	10.8
152.01164	19.3
153.01729	14.3
154.02298	4.6
161.02422	8.1
161.04550	34.0
165.02036	3.6
169.01405	7.3
175.03976	2.9
179.03519	7.2
179.05687	4.3
181.08701	19.7
194.05786	7.2
209.08217	24.8
219.31604	2.5
227.09317	6.1
240.54674	2.5
289.07220	5.5
298.06870	3.5
346.72522	3.1
354.74091	2.7
373.15042	42.8
388.09790	5.0
389.14560	6.0
419.18076	2.9
432.12244	39.8
433.13403	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	12.5
61.98835	100.0
69.29321	8.6
71.01377	1.7
89.02449	2.9
92.00914	1.9
99.19958	2.0
110.27473	2.0
113.15285	1.7
125.02443	3.5
130.89337	1.9
152.83260	1.9
189.61513	1.7
229.01468	2.6
242.99118	2.2
244.00055	2.9
282.98654	1.9
299.99130	86.8
300.99921	39.9
433.04138	62.4
433.09967	4.0
433.24536	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	432.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.1
59.01096	2.4
59.01385	44.9
61.01783	1.7
61.98836	100.0
67.31645	1.4
71.01387	33.0
71.28436	1.7
72.99327	1.6
73.02953	5.3
75.79031	1.3
83.01400	3.5
83.05035	2.3
84.97400	1.3
85.02969	8.7
87.00890	3.6
89.02457	20.2
90.58965	1.4
95.01420	1.8
99.00890	2.0
101.02459	18.2
111.04536	2.1
113.02466	11.0
114.58745	1.4
119.03530	7.0
121.02956	1.7
123.00883	1.5
125.02469	1.5
127.24155	1.6
131.03555	2.0
143.03491	3.5
148.06525	1.7
151.00383	3.5
161.04550	9.3
163.00523	2.0
178.99881	1.8
179.05600	3.7
199.03970	1.4
221.06630	2.3
225.11333	6.0
227.03421	2.1
243.02957	11.5
254.02287	2.1
255.03027	20.6
271.02499	52.6
271.19153	3.1
272.02988	1.8
285.13480	19.1
299.02014	2.8
299.99197	13.8
300.02698	93.8
300.99979	5.3
301.03516	19.0
301.06839	2.5
380.91568	1.5
432.06125	2.4
433.08112	40.4
433.13834	2.2
433.16827	4.0
433.24780	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	433.0415
Annotation	Ellagic acid-4-O-beta-D-xylopyranoside
Peak:m/z	Relative Intensity
57.03448	0.5
58.00575	0.5
59.01102	0.4
59.01382	7.4
68.20409	0.4
68.99772	0.4
69.38714	2.1
71.01031	0.6
71.01386	6.5
72.99300	0.5
73.02937	1.1
75.31607	0.5
79.45565	0.4
80.42941	0.4
83.01357	0.8
85.02932	1.7
89.02451	5.2
89.35472	0.5
90.52212	0.4
95.01353	0.4
98.22587	0.7
101.02452	4.3
104.09943	0.4
113.02438	2.7
113.03137	0.5
119.03491	1.5
123.04477	0.5
125.02483	2.1
125.32857	0.4
144.02148	0.6
160.01659	0.5
161.04529	2.0
168.00630	0.6
172.01645	2.1
173.02463	0.7
179.05652	1.0
185.02428	1.2
188.01256	0.5
200.01132	2.6
201.01814	0.8
216.00677	3.7
226.99794	0.6
228.00577	1.7
229.01369	1.8
242.99226	2.0
244.00116	3.9
245.00797	0.6
254.99644	0.4
257.00891	1.1
271.99719	2.4
282.98825	2.1
283.99750	1.0
291.79620	0.4
298.98401	1.3
299.99121	100.0
300.99866	63.4
302.00287	4.5
338.03976	0.5
387.20352	0.6
433.04138	67.4
433.24445	5.7
434.04465	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	433.0778
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
52.45582	0.4
53.08966	0.3
57.68219	0.3
59.01354	0.8
62.25709	0.3
65.00317	0.7
65.96404	0.3
66.50779	0.4
66.93231	0.4
69.03048	1.4
69.03473	1.9
71.01378	0.9
89.02425	0.7
93.03459	0.5
95.71541	0.4
98.01086	0.3
99.01015	0.4
101.02444	0.7
101.35276	0.3
107.01392	1.4
108.02185	1.4
109.02975	0.9
112.37051	0.4
121.02952	1.0
124.01637	0.4
135.00897	0.6
137.02472	0.4
148.01654	1.1
151.00360	5.8
151.92828	0.3
152.00742	0.4
163.00375	1.6
164.01122	0.6
169.01469	0.4
178.99893	2.9
198.03195	0.4
199.03964	0.8
203.03592	0.4
211.04054	0.9
226.02715	1.2
227.03596	2.3
243.03000	8.8
244.03563	0.4
245.04550	0.6
254.02187	2.3
255.02994	20.3
256.03415	2.4
271.02487	46.0
272.02890	5.5
299.01935	1.2
300.02759	100.0
301.03436	26.2
302.03867	1.2
364.11722	0.4
433.07779	50.8
434.08182	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	433.1142
Annotation	2',4',6',beta-Tetrahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
54.34719	0.7
57.03436	1.0
58.00607	0.7
59.01096	1.0
59.01385	19.5
61.98826	1.6
63.02396	2.7
65.00328	6.7
69.69541	0.7
71.01390	15.6
72.99300	1.1
73.02937	1.6
83.01401	4.8
85.02959	4.5
87.00890	0.7
89.02457	13.9
89.37392	0.6
93.03461	10.6
95.01355	1.1
95.05038	1.0
97.06590	1.7
99.00907	0.9
101.02468	7.9
102.02808	0.7
107.01404	12.7
108.02231	1.5
109.02995	1.5
113.02473	6.5
119.03635	5.6
119.05041	35.9
120.05334	1.4
121.02950	1.9
122.03761	9.0
123.04494	0.7
125.02458	4.2
135.04562	0.7
137.02489	3.5
143.03546	0.9
145.03012	1.6
149.02443	0.9
151.00395	40.9
151.03976	1.4
152.00992	1.2
155.10817	0.9
161.04585	2.7
165.01950	1.8
165.05605	1.1
169.01401	0.6
175.00389	1.9
177.01929	4.6
178.99844	1.4
179.05621	2.5
179.07062	0.7
185.05984	1.1
187.03983	1.4
193.01434	1.5
205.87837	0.6
211.13234	0.9
227.07109	0.9
243.03041	2.2
251.07288	0.7
253.05174	0.9
255.02913	3.1
267.06821	2.0
268.07425	4.3
271.02780	6.1
271.06128	100.0
272.03479	1.2
272.06442	7.3
283.09756	2.7
295.05988	1.3
299.99149	6.0
300.02771	11.6
300.99875	5.2
301.03537	3.7
301.10803	6.7
313.07126	1.4
389.12518	1.0
433.03351	1.8
433.07895	2.9
433.25247	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	433.1143
Annotation	5,7-Dihydroxy-3,6,8,3',4',5'-hexamethoxyflavone
Peak:m/z	Relative Intensity
57.03433	0.6
59.01369	1.0
59.87534	0.4
71.01363	0.9
77.98158	0.5
81.03468	1.0
85.02959	1.5
89.02438	0.5
89.12837	0.5
93.03468	4.2
95.01397	1.1
96.95993	0.7
108.02182	100.0
109.02989	21.6
110.03311	0.6
110.60533	0.5
121.02970	1.1
121.61272	0.5
123.00882	1.7
123.04504	1.2
125.02489	1.0
132.52826	0.5
133.02953	0.8
135.00902	0.7
135.04532	7.4
136.04909	0.5
137.02460	7.0
151.00345	0.5
151.04015	1.8
152.01164	56.4
152.99536	0.7
153.01955	20.7
154.02324	0.7
155.10687	0.5
163.04059	0.9
165.01958	1.3
167.07074	0.8
186.92300	0.5
188.01184	0.5
244.00133	0.9
270.98819	0.5
271.02475	0.6
271.19147	0.7
297.06287	0.9
299.99149	25.1
300.99869	12.5
343.79892	0.5
395.11185	0.7
433.04272	14.2
433.11404	62.6
433.23996	2.3
434.05115	1.2
434.11768	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1142
Annotation	Monospermoside
Peak:m/z	Relative Intensity
55.01867	2.8
57.03439	2.6
58.00584	2.1
59.01383	55.5
61.43474	0.7
63.02398	3.5
65.00321	11.2
69.03453	0.8
71.01388	52.7
71.28558	0.8
72.99305	3.5
73.02953	8.2
75.30136	0.6
75.69524	0.6
78.60382	0.8
81.03452	1.5
83.01393	12.2
83.05035	1.8
85.02950	16.1
85.05145	0.7
86.00087	0.9
87.00877	6.5
87.04512	2.6
89.02454	34.0
93.03442	6.0
95.01387	4.9
95.04996	0.8
97.02938	1.0
97.06576	1.2
98.70998	0.7
99.00906	3.7
99.01462	0.7
101.02450	30.8
106.46329	0.7
107.01401	18.8
108.02229	3.7
109.02959	9.8
111.00823	0.9
111.04533	1.3
113.02465	19.2
117.03459	1.3
119.03548	15.1
119.05033	30.2
121.02972	1.3
123.04572	1.0
125.02463	6.2
127.07628	1.6
131.03503	2.1
133.02969	21.6
134.03635	0.7
135.04552	7.4
137.02443	2.6
139.04016	1.0
143.03519	3.3
143.05061	1.3
145.03009	4.3
147.11752	0.9
149.04501	1.3
151.00383	61.0
152.00732	2.0
153.09204	1.0
155.07137	1.0
155.10802	2.8
159.02969	3.0
159.06633	2.2
161.02467	70.9
161.04497	15.6
161.05960	1.5
162.02754	3.4
165.01941	5.4
167.07092	1.0
169.01450	3.8
177.01942	6.5
177.05699	1.2
179.03531	5.5
179.05605	6.0
179.07133	5.2
183.10301	1.9
185.06097	2.0
187.04053	2.1
193.01483	0.8
195.06615	2.1
197.08234	2.6
199.09718	2.2
201.14876	0.6
209.08141	5.1
219.06596	0.9
225.11353	1.2
227.07141	2.4
229.05211	1.0
235.06175	0.9
238.01274	0.7
253.05247	0.8
253.14360	1.0
271.06128	100.0
271.19177	4.8
272.06439	8.0
299.99127	18.8
300.99881	14.4
302.00229	1.3
305.16037	1.0
313.05276	3.7
323.07730	3.4
358.45581	0.7
373.19089	0.7
387.19974	1.5
415.14236	3.3
426.81879	0.7
433.04251	14.3
433.11392	51.8
433.15833	2.0
433.19205	3.6
433.25427	13.4
434.05017	1.1
434.11700	6.5
434.25473	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62759	1.0
59.01374	3.0
61.98835	18.6
67.01885	2.9
68.99814	1.2
69.03451	1.2
71.01376	3.2
71.29490	1.4
89.02459	1.2
93.66308	1.0
95.01405	12.3
97.02979	2.2
101.02473	1.2
106.95147	0.9
108.02226	1.5
109.02955	3.0
110.76661	1.0
111.00877	4.2
117.03500	1.0
121.02995	2.5
123.00896	13.4
123.04546	1.2
124.01654	4.1
125.02458	3.2
127.00401	2.9
132.02348	1.0
135.04575	1.8
136.98819	3.2
137.02451	3.8
138.03256	3.2
139.00401	14.2
139.04019	6.5
139.42102	1.0
140.01151	1.2
145.02988	1.9
149.02521	2.3
151.00395	2.9
152.01202	5.9
153.01952	5.0
153.05609	2.6
154.02676	1.8
160.01659	1.2
161.02477	1.8
162.03239	4.1
163.03983	2.0
166.02736	6.2
167.03465	5.2
169.01306	1.1
172.01706	1.3
174.03110	1.3
175.04044	3.5
176.01183	2.5
177.01958	6.1
177.05566	5.0
178.02737	9.6
178.99940	1.7
179.03506	2.0
181.05049	6.9
188.01099	2.4
189.01953	2.8
189.05597	1.5
190.02687	1.2
191.03539	3.8
192.04245	5.2
193.05086	15.4
200.01141	3.0
202.88596	1.1
203.03552	4.4
204.04239	2.8
205.05019	1.4
207.06651	7.2
209.04527	1.3
209.08273	2.2
216.00674	3.6
218.05869	4.5
219.06621	1.9
221.04510	1.7
223.06079	1.8
234.05289	1.3
244.00191	2.5
263.55054	1.1
269.04639	2.2
271.06174	1.2
273.46021	1.1
298.98294	1.4
299.99121	84.0
300.99866	44.3
302.00226	3.9
325.07086	1.3
340.09772	1.7
343.08243	4.9
355.08282	1.7
358.10596	11.0
361.08960	1.6
373.09299	3.1
373.12991	52.4
374.13269	3.9
379.35645	1.0
385.12973	3.1
403.10190	8.3
403.14734	17.6
417.11975	1.4
418.12784	21.4
433.04279	54.6
433.15067	100.0
433.20435	4.7
434.04495	6.6
434.15311	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	433.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69294	0.6
55.01868	0.7
59.01389	5.1
60.64122	0.7
61.98833	19.5
62.42653	0.7
67.01880	1.8
68.15108	0.7
68.99831	1.2
69.05608	5.4
71.01370	3.7
72.37666	0.8
72.99317	0.7
73.02936	0.9
79.15279	0.8
81.03430	0.8
83.01384	2.1
85.02942	1.0
89.02464	1.9
93.03439	1.5
95.01394	16.8
97.02972	1.1
97.71606	0.6
99.00919	1.2
99.70901	0.6
101.02446	2.0
107.01330	0.9
107.05067	1.0
108.02135	0.9
109.02932	2.2
110.00173	0.8
111.00889	5.7
112.14203	0.7
112.98824	1.1
113.02467	1.4
121.02967	2.0
123.00893	13.3
123.04522	1.8
124.01690	7.0
125.02483	4.1
127.00365	3.1
133.02936	1.0
135.04504	1.7
136.01695	0.9
136.98814	2.5
137.02472	4.4
138.03198	3.5
139.00389	17.1
139.04027	7.3
140.01167	1.9
141.01974	0.9
145.02985	3.5
147.04530	1.7
149.02425	2.1
150.03265	1.1
151.00349	4.6
151.03929	0.8
152.01187	4.1
152.99640	1.1
153.01942	5.7
153.05576	2.6
154.02705	2.5
159.04536	1.7
161.02463	2.5
162.03227	5.0
163.04010	2.8
165.01956	1.5
165.05577	1.1
166.02744	7.8
167.03497	5.4
168.04285	1.5
173.02397	1.2
174.03163	1.4
175.04004	2.0
176.01186	3.1
176.04868	1.1
177.01949	6.3
177.05550	7.4
177.12805	0.8
178.02737	13.2
178.99850	3.9
179.03510	1.8
181.05101	7.2
185.02438	0.9
187.03969	0.9
188.01183	1.5
189.01906	3.4
189.05551	1.4
190.02707	2.2
190.06349	0.9
191.03519	7.9
192.04285	6.2
192.07922	1.1
193.05078	19.5
200.01106	1.0
201.01978	1.0
203.03520	5.1
204.04243	3.2
205.05064	2.1
207.06653	7.4
208.07016	1.0
209.04662	0.9
209.08179	1.9
216.00739	1.7
218.05823	8.2
219.06552	2.6
221.04570	2.3
223.06175	3.1
228.00703	1.1
229.04996	0.9
234.05377	1.5
235.06157	1.0
237.07631	1.6
241.04942	1.3
244.00159	2.0
255.07033	0.9
256.07449	1.0
257.04642	1.1
259.06152	1.1
267.06680	0.8
268.66101	0.8
269.04547	2.2
271.99609	1.2
282.98862	1.0
284.06955	1.2
285.04025	0.9
299.99146	56.0
300.99869	31.1
302.00330	1.4
315.08698	1.1
325.03482	1.1
325.07095	1.1
338.08041	1.1
343.08249	7.0
355.08228	3.9
357.09882	1.0
358.10562	14.9
359.11221	2.3
373.09344	4.7
373.13019	61.6
374.13251	5.9
375.10925	1.4
385.08896	1.7
385.13492	3.5
389.12283	0.9
400.11526	1.3
403.10147	10.3
403.14111	18.1
404.10123	1.3
404.14850	1.5
417.12006	1.4
418.12738	24.9
419.13196	3.4
433.04288	37.0
433.15073	100.0
433.20270	4.8
434.04431	3.3
434.15479	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	433.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52347	1.5
53.20816	1.5
55.01866	2.0
55.56303	1.5
61.44298	1.5
69.23410	9.1
69.23867	2.5
78.95889	8.8
79.01899	2.8
80.46373	1.4
81.03446	3.3
85.06583	7.6
87.04472	2.2
95.05037	3.7
97.05077	1.7
109.02975	3.1
109.06601	4.6
111.04539	29.3
113.06112	5.0
113.75928	1.8
123.04517	2.3
123.08185	16.1
124.66569	1.8
125.02489	8.8
133.61000	1.5
139.03976	2.9
141.09221	5.7
147.08157	3.5
149.02440	2.0
150.53860	1.8
151.07655	15.6
152.07979	11.3
152.99605	13.8
153.01988	2.0
153.08197	6.0
161.06120	2.2
165.09213	11.9
167.07115	7.8
177.01953	3.2
177.05565	8.5
179.07172	6.6
182.08969	1.9
191.07172	7.8
193.08714	4.3
195.06635	89.3
196.06973	46.0
197.07108	31.9
204.04298	3.1
205.05038	7.1
209.08211	45.8
215.10712	1.9
219.06619	22.2
220.03798	2.6
220.06973	2.2
223.06122	65.3
224.06360	4.2
231.10286	3.9
235.06123	35.0
236.06828	3.2
237.07780	4.7
246.05363	4.4
247.06128	25.7
247.09756	3.1
248.06879	17.0
248.10573	2.9
249.11351	3.4
251.11754	1.8
253.07147	5.3
259.09824	2.1
261.07526	2.3
265.07236	4.6
265.10629	2.4
273.07706	2.4
275.09268	26.0
277.10721	3.3
285.07721	4.7
293.10324	3.1
299.09207	6.9
300.10248	2.0
301.10693	3.5
303.08865	8.2
317.10452	3.0
327.16107	2.5
329.06665	3.0
343.15338	4.7
344.09055	11.9
345.09796	3.3
345.17072	6.8
371.14948	22.6
372.15237	3.0
387.14523	13.5
389.15921	2.4
400.11517	2.6
415.13983	100.0
416.14368	15.0
433.15735	2.1
433.21320	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	433.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.4
59.01381	100.0
69.24014	5.3
69.24416	12.9
71.01031	4.4
71.01387	51.6
73.02944	8.8
83.01394	5.8
85.02946	21.6
89.02448	11.9
95.01411	4.8
97.02949	5.6
98.21764	4.2
99.00887	7.7
101.02454	36.3
106.95398	2.5
109.02983	15.1
113.02465	22.1
119.03540	3.7
120.99692	4.1
123.00897	8.7
123.04541	3.5
125.02461	19.3
126.02879	2.7
133.05165	2.7
137.02464	3.9
139.00371	3.5
140.01205	3.2
143.03488	4.0
151.00409	5.0
152.01184	5.8
153.01953	22.2
154.01752	3.4
155.03458	3.6
159.03004	5.3
161.04573	35.7
167.03441	4.5
169.01424	11.5
181.04997	2.9
181.08685	24.9
195.03015	4.1
255.05208	4.4
271.04745	3.0
343.14145	2.8
373.15057	51.5
401.84033	2.4
433.13403	89.3
434.13831	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	433.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	6.9
59.01382	100.0
61.98829	20.3
70.77744	8.1
71.01386	88.1
72.99296	5.6
73.02959	20.7
77.65984	3.2
78.95927	4.7
81.03450	4.6
83.01384	8.6
85.02959	29.3
87.00896	11.6
89.02454	36.9
93.03464	7.8
95.01409	6.8
96.97003	4.0
97.02973	8.9
99.00888	6.8
99.95339	4.2
101.02451	54.5
107.01389	7.1
109.02969	11.2
113.02454	40.4
119.03503	11.9
121.02956	21.0
123.00883	17.2
123.04513	11.5
124.01655	3.7
125.02451	57.1
135.00909	4.4
137.02454	24.4
139.00369	7.7
139.03955	3.6
140.01080	4.5
143.03520	5.7
147.07970	4.4
151.00371	11.2
151.04024	8.9
153.01950	5.4
159.03062	5.3
161.02480	8.2
161.04575	50.1
163.07608	6.3
164.04817	42.8
165.05554	8.2
167.07219	3.7
169.01410	28.7
179.03514	5.0
179.05692	6.3
179.07137	31.4
181.05055	8.2
181.08684	24.5
185.91791	4.0
197.04579	5.9
197.08203	7.5
289.07150	9.0
343.13971	72.1
373.14966	7.2
405.37817	3.7
428.12708	3.9
433.13406	96.4
434.13882	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	433.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43009	2.4
53.04779	2.0
55.64956	2.4
57.03450	3.7
59.01094	5.2
59.01383	92.2
66.07635	2.1
69.88405	4.8
69.88784	5.4
71.01388	41.0
72.99295	7.2
73.02962	16.2
83.01391	8.7
85.02953	19.3
87.00900	4.7
89.02452	13.7
95.01399	4.5
97.02971	2.6
99.00894	6.9
101.02444	31.5
107.01409	4.2
108.02185	7.4
109.02982	9.0
113.02460	25.2
119.03522	6.1
120.99685	3.6
123.00898	13.1
123.04558	4.4
125.02451	28.4
137.02498	4.7
139.00395	6.9
140.01155	2.7
143.03590	3.2
145.93016	2.6
151.00395	7.7
151.04024	4.4
152.01135	3.8
153.01933	9.3
159.03050	5.9
161.04541	42.0
161.05844	2.6
166.05106	2.3
168.00652	4.6
169.01445	19.0
179.03481	4.1
181.08713	31.7
202.71935	2.7
289.07162	6.1
313.05655	2.7
315.07224	6.6
373.15012	46.4
374.15469	5.3
417.13959	3.1
433.13547	100.0
434.13892	9.4
459.46936	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	433.187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29691	0.3
57.03444	1.1
59.01386	0.9
62.00598	0.4
65.00312	0.5
66.06671	0.3
81.03457	3.9
83.01391	0.5
84.82738	0.3
85.02960	0.8
85.06591	1.0
87.04500	1.0
98.22517	1.0
99.04533	0.9
99.08175	0.5
107.05009	0.4
109.02962	1.2
109.06594	2.1
111.00887	0.5
111.04544	4.3
113.06103	0.6
113.09728	5.7
125.02445	3.6
125.06071	0.8
127.04019	1.6
127.07666	1.1
131.63412	0.4
133.06638	0.8
135.08188	1.0
136.05327	0.6
137.02449	1.7
141.05630	2.5
151.00427	0.5
151.07660	24.8
152.08012	1.0
153.05556	0.8
153.09212	0.7
154.02768	1.0
155.03542	1.3
155.07153	2.0
164.04788	0.4
166.06288	0.4
170.44907	0.4
177.05624	1.0
179.03488	0.7
179.07156	1.7
181.08722	38.3
182.09019	1.8
183.06624	1.2
195.06636	100.0
196.06979	6.2
196.09758	0.4
197.04596	6.9
197.08223	20.3
198.08539	0.7
209.08214	0.8
223.09767	1.7
224.10503	1.9
238.12128	0.7
239.12872	2.7
242.38669	0.4
249.11336	1.3
251.09238	0.8
251.11897	0.4
263.09280	1.4
283.50693	0.5
292.92920	0.4
299.99142	0.9
300.02615	0.6
300.99765	0.5
345.13510	0.5
371.29526	0.5
389.30551	1.8
433.04089	0.4
433.18488	8.1
433.29807	4.8
434.18994	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64857	1.9
59.60983	2.0
77.42653	2.4
85.06569	3.8
87.00881	19.6
87.04504	5.6
111.04530	15.0
113.06088	39.3
114.06476	2.7
115.04018	4.5
123.08167	5.9
133.06577	2.4
137.06078	2.9
151.07639	6.7
153.05580	2.9
165.09248	2.9
167.07185	2.8
177.01970	6.9
177.05655	2.4
179.07089	2.9
179.85738	2.4
181.05096	5.7
181.08752	3.1
192.07950	5.1
192.09747	2.0
195.06636	10.5
196.59810	2.5
197.07172	2.8
203.07150	3.1
205.01498	4.9
205.05086	4.5
206.02254	3.5
209.08249	11.5
215.52657	2.5
219.06689	2.9
220.07399	5.4
221.08197	22.5
225.07759	4.2
230.05869	4.4
231.06752	2.3
232.07419	2.6
233.04622	3.6
235.06197	2.3
237.07736	3.1
247.09711	3.6
248.06909	100.0
249.07481	10.9
249.11415	2.2
259.09732	3.1
261.07599	3.4
263.12811	13.9
273.07883	3.0
275.09506	20.0
275.12851	16.1
276.06400	25.8
277.07101	7.2
290.11621	16.0
291.12363	49.4
292.12897	5.8
299.99069	2.8
302.11575	3.6
303.12338	2.9
317.14029	14.9
319.11899	73.0
320.12274	6.8
335.14908	2.6
345.17078	72.1
346.17374	6.0
363.18079	2.7
372.12439	3.9
405.19077	6.1
415.17828	25.7
433.18045	18.2
434.19077	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	433.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.8
56.73474	0.6
57.03444	1.8
58.00586	3.7
58.97018	0.7
59.01384	81.3
60.01719	1.2
68.99834	0.8
69.03467	1.0
70.25465	0.7
71.01388	67.3
71.28475	1.1
72.01708	1.2
72.99311	2.9
73.02953	18.8
81.03465	1.1
83.01398	4.3
83.26514	0.6
85.02959	11.8
86.00078	0.7
87.00859	3.3
89.02452	100.0
90.02802	1.4
95.01382	1.6
95.05046	0.8
97.02950	2.3
99.00890	29.8
101.02454	43.6
102.02793	0.7
108.02202	0.7
111.04487	1.3
113.02465	16.3
119.03509	14.5
120.99739	0.6
123.04538	2.4
125.02463	6.3
125.06097	2.4
130.40593	0.7
131.03511	17.3
139.03951	0.6
143.03477	3.7
149.04572	41.8
150.04974	0.7
155.10785	1.4
161.04597	6.4
169.01471	1.1
174.22786	0.7
179.04201	0.8
179.05583	4.8
183.06630	7.5
184.06961	0.6
191.05623	10.2
193.08688	6.7
233.06573	1.6
249.07681	2.0
251.07738	1.8
263.01807	0.7
277.10797	1.9
299.99359	3.3
300.02350	1.1
300.99911	1.3
301.16623	6.0
308.52972	0.7
380.19104	0.6
433.04016	1.6
433.15097	2.2
433.20590	16.2
434.21240	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2228
Annotation	Phorbol 13-butanoate
Peak:m/z	Relative Intensity
55.01864	2.1
57.03438	1.3
58.61241	0.6
71.28183	0.8
73.70229	0.6
78.95906	2.6
81.03481	1.6
83.05036	2.4
85.02947	1.5
85.06590	2.1
87.04513	1.0
95.05027	4.5
96.07890	0.5
97.06590	5.3
108.02158	0.8
109.02972	2.6
110.03729	2.1
111.04524	5.4
113.06112	4.2
113.09735	14.1
118.55875	0.6
122.03753	0.8
123.04560	3.3
123.08174	1.4
125.09702	1.9
127.04089	0.9
135.08147	2.6
136.64680	0.6
137.02470	6.0
137.06091	0.8
139.07664	0.9
141.05583	13.2
141.09210	1.0
142.02744	0.9
142.06004	0.7
144.47720	0.6
151.07651	2.3
152.99593	2.3
153.09225	3.2
159.55011	0.6
166.06349	1.5
169.08728	1.3
179.07150	20.1
180.07509	1.2
181.08714	100.0
182.09042	4.9
195.06691	1.2
196.06964	1.3
197.08202	87.1
198.08583	3.8
235.06145	3.9
249.14908	0.9
251.12895	11.2
263.05771	0.7
263.13013	0.8
329.37122	0.6
433.22415	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	433.2231
Annotation	Phorbol 13-butanoate
Peak:m/z	Relative Intensity
50.82839	0.6
55.01874	2.4
55.16693	0.6
57.03446	1.2
81.03453	2.0
81.66547	0.6
83.05026	3.3
85.02966	1.4
85.06578	3.0
85.75428	0.5
87.04491	1.3
95.05038	4.9
97.02962	0.7
97.06599	7.1
98.21775	1.0
108.02190	0.7
109.02956	2.5
110.03731	2.3
111.04530	4.5
111.08172	0.8
113.06104	4.7
113.09727	11.3
122.03783	1.8
123.04526	4.0
123.08170	1.6
125.09715	2.8
127.04025	1.0
135.08167	2.2
137.02441	5.8
137.06091	0.9
139.07695	0.5
141.04526	1.0
141.05586	15.0
141.09175	0.9
151.07692	2.9
152.99564	0.5
153.09207	3.0
166.06273	0.6
169.08737	1.6
179.07150	23.6
180.07426	0.9
181.08717	77.7
182.09041	3.8
183.29547	0.6
195.06622	0.9
197.08205	100.0
198.08574	4.6
233.08209	0.6
248.10471	0.7
251.12914	9.8
263.12982	1.2
433.22287	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	433.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24874	0.7
55.71129	0.7
57.03450	1.7
59.01363	0.8
66.38140	0.7
69.12039	4.9
69.12418	0.9
69.97265	0.7
83.01381	1.1
85.02956	61.6
85.06602	8.6
86.03292	1.1
107.36939	0.8
109.02940	1.3
111.04539	1.4
113.06097	20.8
114.06401	1.0
118.26795	0.7
127.07651	1.0
155.07153	100.0
155.30406	0.7
156.07501	3.7
167.39857	0.7
179.07141	9.2
181.08693	2.1
197.08195	24.8
198.08531	1.1
277.14481	1.0
415.21188	0.9
433.22653	1.2
433.33234	3.7
434.33124	0.9
452.87424	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2231
Annotation	Phorbol 13-butanoate
Peak:m/z	Relative Intensity
55.01882	1.8
57.03455	0.8
69.09460	0.9
69.09861	3.6
69.61859	0.5
70.95291	0.5
72.81599	0.6
81.03474	0.7
83.05050	2.8
85.02968	1.6
85.06603	2.2
87.04527	1.8
95.05025	4.2
97.06615	6.7
109.02964	2.4
110.03741	1.6
111.04531	5.5
111.08224	0.7
113.06108	4.1
113.09734	12.5
113.10477	1.0
121.56968	0.6
122.03751	1.5
123.04526	3.2
123.08186	1.6
125.09729	2.1
127.04008	0.9
127.12481	0.6
135.08202	1.8
137.02464	6.2
139.07706	0.6
141.05583	12.6
141.09271	0.8
151.07700	2.9
153.09256	3.6
155.07162	0.7
166.06371	1.3
169.08679	1.4
179.07153	21.7
180.07506	1.1
181.08717	100.0
182.09052	5.5
195.06599	1.6
197.08202	92.2
198.08577	5.0
217.74109	0.5
223.06248	0.6
245.76015	0.5
247.09790	1.5
249.14923	0.6
251.12894	14.5
251.23793	2.3
295.22903	0.8
299.99210	0.9
313.23898	3.5
415.24683	0.8
433.22110	3.8
433.29465	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2234
Annotation	Phorbol 13-butanoate
Peak:m/z	Relative Intensity
57.03448	2.1
57.19270	1.5
69.86158	5.1
72.05276	1.6
77.46120	1.8
78.95919	2.3
87.00880	3.5
87.04505	10.6
91.57469	1.7
95.05044	1.8
111.04524	10.1
113.06113	4.2
113.09746	12.2
123.08168	5.9
125.06127	3.8
151.04041	3.7
151.07646	7.0
152.99547	2.5
153.05557	2.6
165.09203	3.4
177.09167	2.8
181.05057	3.8
181.08754	1.6
182.05443	2.4
192.07915	2.5
193.08652	8.0
195.06705	10.0
196.07018	4.4
197.07045	2.2
203.07147	4.0
205.05107	3.2
205.08685	4.1
207.06573	3.8
209.08205	8.1
217.12440	4.5
219.06631	3.7
219.13980	3.9
220.07249	2.0
221.08177	42.9
222.08632	3.9
225.07715	3.6
231.06641	3.1
233.04503	2.0
233.08279	2.6
247.06355	2.7
248.06903	55.8
249.07617	23.7
249.10110	1.9
249.11343	2.3
250.07927	2.0
260.10394	1.6
263.10098	3.7
263.12891	68.6
264.13257	6.4
265.14447	3.3
275.09323	8.6
275.12939	11.4
276.06461	14.4
277.07178	13.8
290.11652	5.7
291.12378	46.6
292.13034	5.2
301.10687	2.0
301.18051	2.0
303.12582	1.7
317.13895	2.1
319.11902	48.7
320.12314	6.3
345.17078	37.2
346.17450	5.1
363.18402	5.5
390.16873	5.2
433.22354	100.0
434.22482	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	433.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.4
59.01368	0.9
64.19048	0.5
69.46082	2.7
83.01382	0.8
83.05020	0.8
85.02958	5.2
87.04503	0.9
95.05030	0.5
101.02453	1.6
106.74683	0.6
109.02954	7.4
111.00861	0.8
111.04532	10.4
113.09736	14.0
114.10068	0.4
119.39644	0.6
127.07671	0.7
135.04868	0.5
135.08173	1.3
138.06898	0.9
153.01978	1.1
153.09227	4.6
155.07173	1.2
164.08301	0.8
166.06401	1.2
179.07144	14.9
180.07449	0.7
181.08713	100.0
182.09041	3.9
195.06702	0.6
197.01115	0.6
197.08206	41.7
198.08553	2.0
200.59236	0.5
233.11885	1.4
251.12898	3.5
257.44229	0.5
299.99258	1.0
300.87939	0.6
329.24692	0.6
331.26447	1.4
371.29596	2.2
380.48593	0.4
394.65948	0.6
394.88129	0.5
397.27505	0.6
415.28577	11.2
416.28891	1.9
433.23361	0.6
433.29636	15.6
434.30020	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25628	0.4
55.79733	0.4
57.03457	2.7
57.03685	0.7
59.01359	1.7
63.22231	0.4
66.81657	0.4
71.01341	1.0
71.05013	0.5
72.31307	0.4
80.39216	0.4
83.01373	1.8
83.05004	1.3
84.02173	1.2
85.02958	6.8
85.06602	0.5
87.04491	1.5
95.05037	2.1
97.02954	0.6
97.06583	0.5
100.62637	0.4
101.02459	4.1
104.49548	0.5
108.02118	0.5
109.02962	9.5
109.03698	0.6
109.06642	1.0
111.00906	0.5
111.04536	9.9
113.09737	12.8
114.10058	0.6
125.02470	1.1
126.06471	0.4
127.03946	0.5
127.07677	0.7
135.08148	1.1
138.06871	1.3
141.05597	2.5
141.08043	0.5
149.06146	0.8
153.01944	1.4
153.09245	4.3
155.07176	0.8
164.08408	0.5
166.06381	1.1
169.01425	0.4
179.05717	1.0
179.07167	12.8
180.07449	0.4
181.08720	100.0
182.09068	5.7
195.06664	2.3
195.10274	0.7
196.07045	1.5
197.00995	0.7
197.08215	41.7
198.08537	2.2
221.08270	0.8
233.11827	1.3
249.11407	0.6
251.12912	3.5
263.09311	0.7
273.22372	0.8
299.99231	1.7
300.02673	0.8
300.99890	1.3
321.17279	0.6
329.24869	0.7
331.26392	4.2
332.26697	0.8
353.24762	0.6
355.26547	1.5
369.28049	1.2
371.25461	0.6
371.29602	7.4
372.30017	1.1
377.68723	0.5
389.30826	1.4
397.27612	1.6
415.28568	28.0
416.28894	3.8
433.03976	1.3
433.09729	0.6
433.29785	27.9
434.30115	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	433.2362
Annotation	LPA(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
52.89092	0.2
62.96405	0.3
68.64349	0.3
70.92469	0.5
71.99579	0.2
72.21414	0.3
78.40849	0.3
78.95911	55.2
89.31643	0.3
96.96970	6.5
116.73986	0.3
150.35519	0.3
150.98061	1.6
152.99600	100.0
153.99948	1.4
171.00647	3.6
259.61026	0.3
279.23343	1.0
333.93591	0.3
427.89224	0.3
433.23645	5.8
434.24054	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.0
57.03446	1.5
58.00604	1.3
59.01382	100.0
61.98838	3.9
65.60493	0.9
66.17173	0.7
69.39661	1.5
69.40073	3.3
71.01387	29.2
72.99310	3.2
73.02940	4.1
83.01408	2.4
85.02950	6.3
87.00896	2.3
89.02451	32.6
95.01402	2.4
98.22557	1.0
101.02448	14.1
108.02229	0.9
109.02966	0.9
113.02457	12.1
119.03516	12.2
121.02988	1.4
123.04542	3.3
125.02456	2.0
131.03511	3.4
137.02534	1.6
137.09752	1.6
143.03546	2.6
149.04555	2.0
155.10791	3.4
161.04582	4.5
164.03590	1.0
169.01440	1.0
179.05620	6.9
193.01389	1.3
193.05069	1.0
202.15155	0.8
255.02910	1.1
271.02405	2.2
271.06119	1.0
271.09570	0.9
271.19070	5.3
299.99103	9.1
300.02792	3.8
300.99808	5.6
301.03055	1.4
373.22290	1.8
389.16620	1.0
433.04166	3.5
433.24866	17.6
434.24615	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	5.1
57.03450	6.2
58.00605	3.2
59.01381	94.1
59.27480	0.7
63.02411	2.1
63.94627	0.7
65.00325	4.5
67.01903	0.7
69.03468	1.0
69.32443	2.1
69.32846	3.2
71.01384	100.0
71.05025	1.3
72.01746	1.7
72.99310	4.7
73.02952	16.8
81.03490	2.7
83.01390	11.6
83.01837	0.8
83.05052	1.4
84.02232	0.9
85.02953	31.7
86.47413	0.8
87.00890	7.3
87.04517	4.6
89.02450	59.7
93.03490	3.7
95.01386	6.9
97.02972	2.2
97.06602	0.8
99.00892	6.4
99.04546	1.3
101.02445	56.4
102.02849	0.9
107.01395	7.2
109.02991	3.6
111.04606	0.9
113.02456	38.7
119.02679	0.9
119.03509	27.1
119.05016	15.2
120.05412	1.1
120.56853	0.8
121.02998	1.5
123.00921	0.8
125.02441	5.6
125.09748	1.9
131.03534	2.5
133.02948	4.8
135.04570	2.2
137.02457	2.0
139.04060	1.6
143.03525	5.3
145.02974	1.5
149.04578	2.3
149.35329	0.9
151.00378	30.0
151.66521	1.0
153.09286	2.2
155.07291	0.9
155.10791	1.7
159.02943	4.4
159.06615	0.9
159.10287	4.4
161.02489	13.1
161.04558	34.1
162.05009	1.4
165.02043	3.1
167.07193	2.0
169.01468	1.7
177.02049	2.4
179.03482	1.2
179.03995	1.4
179.05687	14.1
179.07222	7.8
183.13950	2.3
185.06110	1.0
187.04115	1.4
195.06721	2.1
197.08273	3.6
197.18800	0.8
199.09874	1.5
201.15059	1.5
209.08157	6.6
219.06750	1.0
227.07230	1.0
231.12357	1.2
237.07780	1.1
241.07776	0.7
241.11031	0.9
253.18102	1.0
259.06329	1.0
271.06128	50.3
271.19150	7.0
271.99777	1.0
272.06531	4.6
272.19568	1.0
289.06998	0.7
299.99106	18.3
300.02417	1.1
300.99826	12.3
313.05994	0.8
321.15829	3.3
333.19196	1.4
363.20480	3.2
371.15369	1.1
373.13324	1.2
401.12430	1.0
415.13947	6.5
415.23566	1.8
433.04425	13.2
433.11646	11.7
433.24713	29.3
434.04810	2.5
434.11624	1.4
434.25143	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	433.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53219	2.8
54.44970	3.2
55.00758	3.1
57.24440	2.8
59.01359	4.3
69.14129	22.1
70.37778	2.8
71.05041	6.5
78.95898	10.0
103.15286	3.4
103.84695	3.0
117.03511	18.1
119.05010	26.7
129.67401	3.3
145.02959	100.0
146.03278	3.3
148.39218	3.7
150.84215	3.1
152.99570	14.6
163.04066	17.7
217.12105	3.1
219.84268	2.9
287.22287	8.8
293.83386	3.6
299.99182	26.4
300.99896	21.9
373.31351	3.5
390.30194	3.2
415.32526	4.2
433.04132	20.3
433.25879	25.4
433.33160	20.4
434.04340	3.9
434.34018	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	433.2597
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
64.02387	0.3
69.60447	0.4
69.60719	1.7
78.95905	1.1
95.56052	0.3
117.03469	19.0
119.05035	8.9
121.02966	0.6
145.02963	100.0
146.03297	4.0
152.99596	1.9
163.04030	5.0
193.65201	0.3
287.22293	10.8
288.22745	1.2
299.99139	3.2
300.99896	2.8
415.24756	0.6
433.04144	2.2
433.26007	25.8
433.32529	6.3
434.04422	0.4
434.26202	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	433.2961
Annotation	Stolonic acid A
Peak:m/z	Relative Intensity
60.99313	5.8
65.38864	0.3
66.39326	0.3
69.57773	0.6
69.58130	1.7
71.05006	0.4
74.66858	0.4
75.09660	0.4
77.28020	0.3
95.05013	2.1
96.67363	0.3
108.21174	0.4
111.04539	0.9
113.02431	0.5
113.09731	0.7
127.00384	0.7
137.02467	0.6
151.04030	0.6
155.03514	2.2
179.03514	1.0
181.08694	4.9
182.09116	0.5
183.06813	0.6
195.06686	2.6
197.04559	11.7
197.08267	0.5
198.04843	1.1
208.54613	0.4
209.08220	0.8
250.98468	0.4
251.09320	0.8
263.09271	1.3
341.28445	2.8
343.26437	0.9
351.26959	1.4
355.26447	0.7
359.29602	3.2
369.27975	9.4
370.28363	1.1
371.29553	29.2
372.30035	3.5
373.27557	0.5
387.29199	0.5
389.30795	0.9
433.29608	100.0
434.29919	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	433.2959
Annotation	Stolonic acid A
Peak:m/z	Relative Intensity
60.13306	0.4
60.99284	0.8
62.24054	0.4
62.64377	0.4
69.20402	3.2
85.02895	0.5
87.04469	0.8
95.23362	0.4
100.21971	0.4
111.04459	1.3
113.09710	0.5
123.08173	0.6
125.06023	0.4
141.24985	0.5
152.99477	0.4
167.03514	0.4
169.04999	0.4
179.07085	1.8
181.08730	3.2
183.06477	0.6
194.37996	0.4
195.06526	1.1
195.10236	0.8
196.07007	0.6
197.08163	1.3
197.88667	0.4
207.06566	0.4
209.08270	0.7
271.16553	0.4
299.99097	1.9
300.02435	0.8
300.99762	1.7
302.43207	0.4
325.25439	0.5
327.26962	4.2
328.27213	0.5
339.26935	2.2
341.24826	0.8
341.28638	1.0
355.26370	4.7
356.26898	0.7
357.27985	8.9
358.28339	0.9
359.29568	43.2
360.25848	0.7
360.29913	5.3
369.28003	4.6
370.28046	0.6
371.29575	11.0
372.29697	1.5
375.28998	1.4
389.26611	1.9
389.30756	1.3
403.28537	54.1
404.28888	6.4
415.28662	1.2
433.29611	100.0
434.29965	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	433.2961
Annotation	Stolonic acid A
Peak:m/z	Relative Intensity
51.07719	0.8
57.03440	1.5
59.01380	1.7
59.61639	0.7
60.53660	0.9
61.31082	0.7
69.03457	1.3
69.40475	5.3
71.01363	2.0
71.05030	1.0
80.02680	1.1
83.01392	5.7
83.05028	6.0
84.02170	3.6
85.02961	2.8
93.03446	0.9
95.05034	6.4
98.21777	1.5
101.01428	0.9
101.02460	20.4
104.16681	0.8
111.04514	1.5
155.07126	1.7
181.08673	5.2
183.06548	1.1
195.06670	1.0
196.07001	1.1
197.08377	1.0
271.02484	0.9
273.22260	2.4
299.98975	1.1
313.21655	1.3
315.23190	1.9
329.24911	5.3
331.26456	20.6
332.26810	1.2
355.26529	3.4
369.28064	3.5
371.29590	20.2
372.29932	3.2
375.25717	1.0
389.30588	1.2
397.27606	5.5
401.88687	0.9
415.28574	100.0
416.28909	14.1
433.29620	90.1
434.29828	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	433.296
Annotation	Stolonic acid A
Peak:m/z	Relative Intensity
58.32860	0.4
59.01363	1.0
63.48322	0.6
70.92458	1.0
81.03429	0.5
83.62891	0.5
85.02963	0.8
85.06585	1.0
87.04525	0.7
91.77955	0.5
97.06585	0.6
100.75008	0.5
101.02448	1.3
106.20860	0.5
111.04524	1.7
115.43909	0.5
118.30598	0.5
125.06116	0.7
141.09222	0.6
155.07123	0.5
164.04866	0.5
179.07147	2.6
181.08752	3.1
182.68623	0.6
195.06743	0.9
197.08180	2.2
206.05836	5.3
207.06537	1.1
207.13940	1.8
209.08176	0.8
219.10408	1.0
221.08205	4.9
221.11855	1.8
225.07530	0.6
233.08228	0.9
233.11794	0.8
235.09798	0.6
239.09203	0.5
247.13301	0.9
248.10489	0.8
275.09293	0.7
277.18103	1.0
278.11591	1.1
293.17462	0.9
299.99115	2.1
300.02505	0.8
300.99838	1.8
321.17078	28.0
322.17526	2.9
331.26483	0.6
371.14899	1.7
371.29581	0.7
373.12930	0.7
389.30637	46.1
390.30981	5.3
415.21344	9.4
415.28296	4.5
416.21506	1.0
416.28262	0.6
433.29630	100.0
434.29935	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	434.0942
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	20.3
59.01375	19.5
61.98831	69.4
69.17374	100.0
75.48401	17.2
77.97686	16.3
81.03448	19.7
85.02992	17.6
103.81562	18.9
106.61737	19.1
113.02462	21.4
113.15421	17.0
121.02945	59.6
123.04539	66.8
125.02471	28.9
137.02489	46.1
137.28876	17.0
138.67522	16.1
229.08661	28.7
249.06087	22.0
300.99506	22.6
305.02560	18.6
371.09857	48.7
434.04672	36.6
435.12787	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	434.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43410	0.7
57.03430	1.2
59.01385	26.0
60.01691	1.0
61.98834	100.0
63.15423	0.7
64.95758	0.7
69.14199	5.4
71.01386	9.9
72.01693	1.1
73.02961	1.9
85.02943	3.9
87.00871	1.1
87.04530	1.0
89.02446	7.7
90.02802	1.2
92.82523	0.8
93.03458	0.8
95.01398	0.9
99.00880	1.0
101.02439	7.7
102.02796	0.9
109.02943	6.6
111.00919	0.8
111.59498	0.7
113.02459	4.0
119.03535	4.2
123.00854	1.2
137.02449	2.0
138.03215	1.0
139.04027	4.0
147.99673	0.7
151.04039	1.0
152.01147	1.1
153.01949	8.2
153.05589	2.3
161.04639	1.5
165.09203	0.9
165.50447	0.7
183.10318	1.3
185.11830	1.6
195.03021	1.8
209.08163	4.2
209.11856	1.1
227.12970	4.3
243.12350	3.5
255.05023	1.6
269.13837	1.8
281.06677	1.9
287.15027	12.1
300.99591	1.4
302.00320	0.8
355.31766	0.8
371.13528	2.3
377.66034	0.8
434.04807	1.4
434.24985	2.0
435.07538	1.4
435.13141	21.4
435.18594	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	2.6
57.03459	1.8
58.00595	0.6
59.01380	18.9
61.98833	100.0
65.54299	0.3
66.71986	0.3
69.03445	0.8
69.21168	1.7
71.01384	27.1
72.99300	0.9
73.02948	11.0
75.00884	0.4
79.32706	0.3
81.03443	0.6
83.01390	8.4
85.02955	14.0
86.00118	0.6
87.00892	1.3
89.02451	4.0
93.03465	0.3
95.01401	1.8
97.02966	1.3
99.00887	4.3
101.02448	27.0
102.59827	0.3
103.04023	1.0
109.02994	0.3
111.00888	0.8
113.02454	10.3
119.03493	1.4
125.02480	1.5
125.06101	0.3
129.01942	0.7
130.50925	0.3
133.03001	0.3
143.03537	1.8
145.05093	0.6
153.01936	0.6
159.03008	2.7
161.04568	13.1
163.06183	0.9
165.09286	1.5
167.01698	0.3
177.01909	0.6
189.01941	1.0
191.03488	0.4
205.03564	0.3
209.08197	6.4
216.00644	0.4
217.01437	1.0
224.49637	0.3
229.07213	0.3
247.08240	0.9
289.16574	42.8
341.06693	2.0
371.13446	0.6
434.20825	0.7
435.10367	0.8
435.22321	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	434.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
62.98516	0.4
64.98440	0.3
68.99827	0.5
69.03475	0.4
75.50757	0.3
79.41862	0.3
79.60753	0.3
81.03488	0.3
82.30478	0.3
83.01442	0.4
93.03495	0.3
101.96719	0.3
107.01409	0.4
107.38284	0.3
108.02182	0.5
109.03007	0.5
121.03012	0.5
121.06599	0.6
122.03758	0.5
123.00885	0.7
123.04601	0.4
125.02435	2.2
137.02470	0.8
138.03264	0.8
151.00391	0.6
153.01996	0.9
153.05635	1.3
165.01944	0.3
165.09212	2.2
167.03514	0.6
168.00652	0.4
168.04295	3.3
169.01447	0.9
175.00310	0.3
176.01193	1.0
177.02063	0.6
178.02808	0.3
181.05144	1.0
185.83841	0.3
191.03580	1.4
192.04315	1.6
193.01517	1.3
193.05045	0.7
196.07524	0.7
207.06599	2.3
208.03848	1.5
209.04494	0.5
209.08209	7.1
210.08580	0.4
211.09819	0.7
223.06126	3.5
224.07036	0.4
225.85335	0.3
229.08652	0.5
237.76526	0.3
255.06731	1.2
273.16907	0.3
299.99246	0.7
300.99496	2.3
302.00348	1.1
315.08868	0.7
341.07211	0.5
371.13727	1.0
373.15485	0.3
434.04382	1.6
435.12164	2.2
435.17465	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17542	0.3
59.01377	0.5
61.98835	100.0
68.49973	0.3
71.28878	0.3
71.29254	0.3
71.59191	0.4
75.32671	0.3
86.77920	0.3
96.96037	0.5
107.01440	0.3
108.02225	1.1
109.02969	3.6
110.03326	1.2
115.25674	0.3
116.92891	0.8
125.02445	0.4
137.02455	0.4
139.00420	0.6
139.04031	0.5
151.04062	0.3
152.01215	0.7
153.01993	2.7
154.02429	1.2
165.09254	0.7
209.08197	6.1
209.09993	0.4
209.19832	0.3
210.08553	0.3
231.27200	0.3
296.50705	0.3
299.99377	1.1
300.99582	2.3
302.00323	1.3
312.18176	0.6
328.61020	0.3
371.13644	1.0
434.04697	1.8
434.12222	3.3
442.87805	0.3
452.30533	0.3
457.72739	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34256	0.5
57.03448	0.6
59.01379	3.0
61.98833	100.0
69.02776	5.1
71.01372	1.0
83.05067	0.7
89.02478	0.6
95.04993	1.1
97.03014	0.6
101.02477	1.7
109.03018	0.8
111.00911	0.6
111.04561	1.2
125.02480	1.2
139.04077	1.4
165.09254	6.5
169.01492	1.2
183.06577	0.8
191.07253	0.7
197.04659	2.1
198.04922	1.5
199.99077	0.5
206.52383	0.6
209.08206	32.6
210.08528	1.3
216.14600	0.6
233.08176	6.7
234.08566	0.6
251.09283	2.6
278.78571	0.6
291.78738	0.5
300.99722	1.0
318.08615	1.1
342.59860	0.6
347.24329	0.7
348.24805	0.9
359.10736	1.2
371.13489	13.5
371.17859	0.7
372.14142	0.9
379.01154	0.6
434.24899	0.9
434.30441	0.9
435.27319	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	25.6
60.01713	3.4
61.01822	2.6
61.98831	100.0
68.99203	7.8
68.99624	8.0
71.01374	6.1
74.27902	1.6
75.66719	1.7
80.40984	2.0
85.02956	2.0
89.02467	3.9
93.03474	3.9
93.11438	1.8
98.22646	3.1
101.02473	3.5
104.27386	1.6
108.02148	3.0
113.02488	1.9
123.00869	8.5
125.02444	1.7
137.02472	3.6
138.03209	4.7
151.00438	3.3
153.01868	1.9
161.04489	2.1
169.01396	2.1
189.33597	1.8
217.35869	2.1
261.74991	1.6
271.05798	1.8
272.06537	5.6
282.28015	1.7
297.06143	2.6
345.29733	1.7
374.21756	2.7
434.12643	1.8
434.24472	3.0
435.12885	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	434.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28633	4.4
61.98823	9.6
69.54438	17.8
69.54861	9.1
78.95910	5.9
98.21785	6.3
100.10692	6.0
152.99545	5.8
153.33868	5.4
159.04507	18.0
160.23645	4.9
161.02448	12.7
173.06096	7.0
175.07686	6.0
185.06107	6.7
185.20189	5.0
193.08592	6.3
197.06056	10.7
199.03990	7.4
201.05592	11.0
213.05528	11.6
241.05070	100.0
242.05849	8.3
243.06641	94.3
243.09114	6.9
264.59702	4.9
300.99573	20.6
302.00308	5.8
391.29166	10.4
434.04337	11.2
434.09656	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	435.0933
Annotation	Irisxanthone
Peak:m/z	Relative Intensity
58.42414	0.7
59.01367	2.1
67.17102	0.9
68.43435	0.7
69.09464	5.9
71.01381	5.5
73.02930	1.7
74.20456	0.8
81.03447	1.4
85.02969	4.9
93.03465	16.5
95.01373	2.6
101.02442	2.8
108.02184	60.3
109.02972	34.0
111.05585	0.8
113.02438	2.5
121.02952	1.6
123.00919	1.4
135.00854	1.0
135.04546	0.9
136.01642	2.4
137.02457	25.3
141.59171	0.8
151.00407	1.9
151.03969	1.5
152.01167	74.9
153.01971	24.2
163.04059	1.4
165.01970	1.3
166.02705	3.7
175.03979	1.0
178.99774	1.0
179.03522	1.1
181.05080	3.5
214.31407	0.8
281.06644	7.9
301.99609	1.4
303.00421	0.9
312.06467	2.1
315.07236	13.9
327.08728	2.9
342.11044	2.2
357.13495	7.0
375.14539	1.2
391.10425	2.4
435.09363	100.0
436.09714	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	435.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23117	0.5
59.01381	6.5
60.67348	0.5
65.04014	0.6
65.25105	0.6
71.01387	3.3
71.28839	0.5
71.29277	1.0
72.64928	0.6
73.02951	1.6
81.03482	0.9
85.02973	1.1
89.02454	2.5
91.01900	0.6
93.03467	57.8
94.03764	1.4
95.01390	1.2
101.02449	2.4
105.64849	0.6
108.02183	9.5
109.02965	67.9
110.03300	1.5
111.83717	0.6
113.02458	1.3
120.99679	0.7
123.00884	2.6
123.04566	1.4
125.02483	0.9
137.02457	100.0
138.02788	3.5
151.04018	1.5
152.01166	14.6
153.01952	91.8
154.02380	3.5
161.04587	0.9
165.20834	0.6
173.77788	0.6
179.03474	0.7
179.07108	1.3
183.06660	1.2
197.08235	0.9
273.20767	1.5
279.95486	0.7
297.06155	9.7
315.07217	24.1
316.07462	1.5
318.08408	1.5
359.10672	0.8
397.70145	0.6
435.09308	61.9
435.25958	2.6
436.09790	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	435.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03986	0.6
68.99764	2.7
69.00185	1.7
69.03458	0.6
71.01381	1.5
78.09435	0.5
81.03471	1.6
82.57633	0.5
85.02959	2.1
90.10619	0.5
93.03466	70.6
94.03816	1.9
95.01396	1.2
101.02412	0.9
107.01374	0.6
108.02185	66.5
109.02978	25.7
110.03343	0.5
113.02441	1.0
119.05049	1.0
121.02975	1.1
123.00896	1.8
123.04523	1.3
125.02467	1.1
134.85770	0.5
135.00903	0.7
135.04567	1.1
137.02457	100.0
138.02774	3.2
139.04066	0.6
151.04001	1.4
152.01164	86.9
153.01956	34.8
153.05635	0.8
154.02287	0.9
161.02449	0.9
163.04031	1.2
165.01877	0.6
167.03531	2.2
168.04277	2.0
176.01221	0.6
177.01987	0.7
179.03458	0.6
191.03543	0.8
192.04280	1.1
193.01418	0.9
195.03003	0.6
207.06744	1.9
208.03664	0.6
223.06105	1.9
224.06810	0.6
225.04080	0.6
233.33685	0.5
237.04083	0.6
265.77579	0.5
273.07736	1.8
297.06180	24.5
298.06625	1.1
315.07214	17.7
316.07483	1.6
361.12900	0.6
435.09344	83.7
436.09763	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	435.0938
Annotation	Irisxanthone
Peak:m/z	Relative Intensity
50.47363	0.6
57.03454	0.6
58.67430	0.5
59.01379	8.0
61.04090	0.6
61.25941	0.5
61.98819	1.8
63.90842	0.7
69.03454	4.8
69.11374	2.9
69.11783	1.8
71.01028	0.8
71.01385	7.7
72.08202	0.7
72.98316	0.6
73.02944	2.2
79.01897	1.1
81.03442	1.2
83.01376	4.1
84.19233	0.6
85.02944	3.6
87.00890	1.2
89.02467	3.8
93.03449	1.0
95.01402	2.6
97.02948	3.7
98.22607	1.2
99.00876	1.2
101.02453	7.2
107.01392	2.2
108.02171	0.8
109.02962	2.0
113.02470	3.2
119.03523	0.9
121.02974	8.9
123.00903	9.2
123.04551	1.7
124.01675	23.1
125.02457	62.3
126.02789	2.3
136.01654	0.7
137.02452	3.5
149.99597	39.3
151.00412	3.7
151.04033	1.4
161.02429	1.0
161.04593	2.4
163.04091	0.6
167.03520	1.0
168.00656	69.2
169.01430	6.2
177.01965	1.2
185.10141	1.1
187.09723	0.8
189.01927	1.8
191.03506	0.8
217.01495	1.6
219.02834	0.7
237.81833	0.6
243.81068	0.5
273.07449	0.8
278.18384	0.6
289.16608	5.2
313.05731	3.4
341.06662	6.7
417.08392	5.1
417.13275	0.7
417.15735	0.7
435.09335	100.0
436.09744	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	435.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83659	0.6
56.86296	0.8
58.50503	0.7
59.01390	1.2
61.98834	11.9
62.25022	0.7
71.01389	0.8
73.79042	0.8
79.56099	0.8
83.01408	0.8
93.03468	13.3
95.05054	1.5
101.02460	1.0
107.05068	1.3
108.02206	1.5
109.02959	26.6
115.71075	0.7
117.03491	3.0
119.05038	1.7
121.03003	1.5
122.03745	1.3
123.00903	1.1
123.04540	16.7
124.01717	0.9
125.02439	4.4
133.02982	3.4
137.02448	7.5
145.02960	9.2
147.04491	4.8
149.02487	2.0
149.99576	0.7
150.03221	2.3
151.04019	17.2
152.01161	1.1
153.01926	7.0
159.04555	2.4
161.02483	2.5
162.03169	0.8
163.04036	1.4
164.04744	1.3
167.03540	1.6
168.00710	2.2
176.01259	0.7
177.01947	24.2
178.02299	1.0
179.03511	1.3
187.04092	2.9
189.01947	58.2
190.02689	13.0
191.03497	13.3
194.05971	0.9
203.03511	5.4
212.04829	0.8
213.05597	0.9
216.00633	9.2
217.01431	35.0
218.01978	4.4
219.03003	13.2
220.90378	0.7
229.05075	1.2
231.02980	10.6
232.03452	1.3
241.05138	1.6
255.06631	2.1
256.07050	0.8
269.04742	1.1
269.08261	1.7
271.06137	3.6
273.07782	7.1
281.04556	2.9
283.06253	1.3
289.07288	5.1
289.16687	1.1
297.05957	3.9
311.05670	4.7
323.05734	1.5
341.06668	100.0
342.07010	9.7
409.98199	0.7
435.10712	32.0
436.10684	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	435.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64433	0.8
59.01376	8.9
61.98826	1.4
65.72142	0.7
67.81409	0.7
70.99738	0.9
71.01026	0.9
71.01387	7.4
72.99310	1.0
73.02949	2.0
74.99078	1.4
79.01902	1.1
82.60184	0.7
83.01370	1.6
85.02945	3.1
89.02440	4.0
90.30193	0.7
93.03456	0.7
93.73378	0.6
95.01389	1.8
96.95965	0.9
96.96994	0.8
97.47004	0.6
101.02457	6.3
107.01397	5.7
109.02954	1.0
111.00900	2.2
112.98842	0.8
113.02488	3.4
119.03534	1.9
120.99673	0.9
121.05093	1.0
123.00902	13.4
123.04535	1.0
124.01701	1.0
125.02458	25.9
126.02841	1.2
136.98874	0.8
137.02440	2.6
139.00356	4.5
139.04001	0.9
140.01141	2.0
141.01929	1.9
141.05563	0.8
142.88644	0.8
149.02515	1.1
150.03241	1.9
151.00385	10.5
151.04015	1.3
153.01981	0.7
155.03548	0.7
156.65074	0.7
161.02475	1.0
162.32553	0.7
165.05545	4.1
168.00661	2.6
168.99994	1.7
169.01439	33.0
170.01730	1.5
177.02029	0.8
179.03499	1.4
195.06528	1.2
211.02473	3.2
271.04630	6.5
305.27859	0.7
313.05673	2.2
315.07285	1.6
319.08865	0.9
349.05917	0.9
414.28528	0.8
435.11432	100.0
436.11847	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	435.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67950	0.8
57.03448	1.7
59.01387	13.0
68.99834	0.9
69.03449	1.9
69.05766	5.1
69.06174	2.3
71.01387	6.3
71.75790	0.9
73.02954	0.9
77.91415	0.8
81.03468	12.7
83.01403	5.6
85.02971	2.4
89.02467	3.5
93.03482	6.5
95.01414	1.2
95.05035	10.7
97.02961	5.0
99.04533	6.1
101.02469	4.6
107.04955	1.2
109.02959	1.7
111.04527	1.0
113.02451	2.6
119.03525	2.5
119.05040	7.2
119.40531	0.8
120.18024	0.9
121.02991	1.4
123.04537	17.5
125.02461	22.5
135.04538	1.8
137.02496	3.5
137.06099	13.7
139.04039	3.1
147.04530	2.8
151.00385	1.6
151.03983	1.2
153.01996	1.5
155.03532	1.0
161.04622	1.7
164.04761	1.0
165.01822	1.3
165.05569	9.8
167.03516	51.2
168.03830	2.1
179.03543	8.2
180.75508	1.0
181.05083	2.1
183.06593	1.0
189.05588	4.7
193.05099	1.1
197.04602	3.5
209.04564	15.7
221.04611	2.0
239.05638	1.4
243.10045	1.0
243.12357	1.4
246.37743	1.0
273.03241	1.0
273.07678	9.8
273.20682	1.6
282.50955	1.0
285.07745	2.4
300.02786	1.1
301.03076	1.3
302.03372	1.6
315.08762	100.0
316.09161	7.5
327.08801	2.4
330.34018	0.8
339.89627	1.0
345.09790	26.0
346.10303	3.5
357.10089	1.5
393.65808	1.0
417.12286	1.5
435.08191	1.7
435.12982	6.9
435.26181	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	435.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20306	0.8
59.01387	7.0
66.83709	0.8
69.07100	6.5
71.01389	7.3
72.99324	0.9
73.02942	2.2
79.88866	0.8
80.06951	0.8
83.01433	1.6
85.02972	2.8
89.02434	2.1
93.03466	16.8
95.01392	7.4
96.96046	2.3
101.02468	3.9
107.01407	3.3
108.02194	3.2
109.02958	2.3
111.00913	0.9
113.02469	3.1
120.99626	1.6
121.03006	4.3
123.00897	100.0
123.04529	8.4
124.01739	1.0
125.02460	13.3
135.04562	2.2
136.01689	2.2
137.02457	30.3
138.03244	67.7
138.89890	0.9
139.00404	3.2
139.04010	1.3
140.01157	3.1
141.01920	1.4
149.02464	2.4
151.00374	7.2
151.04015	5.8
152.01184	1.2
153.01971	3.4
153.05571	5.0
163.04034	1.0
166.02719	1.6
167.03522	3.0
168.00674	3.2
169.01445	14.8
179.03580	1.0
181.05066	7.0
193.05106	3.2
211.02548	3.9
223.44858	0.9
252.62332	0.8
267.06693	2.6
271.04614	2.8
273.47833	0.8
281.06686	26.7
282.07010	1.5
292.75922	0.8
299.99185	1.3
301.99768	1.6
311.07767	3.4
313.05591	1.1
348.55353	1.2
435.13068	66.2
436.13358	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	435.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66796	0.3
52.59669	0.4
57.03452	1.6
59.01379	0.6
65.00327	1.2
69.06833	0.6
69.07236	1.9
71.01396	0.5
72.67744	0.3
74.18909	0.3
81.03464	12.7
83.01392	4.7
91.30887	0.3
93.03467	9.0
95.05042	0.6
97.02969	0.3
99.04541	0.5
106.86345	0.3
107.01409	2.0
119.05041	10.8
123.00929	1.0
123.04539	34.2
124.01734	0.3
124.04873	0.8
125.02460	17.1
126.02804	0.4
135.04549	1.3
137.02422	0.5
138.03252	0.5
139.04025	0.3
147.04514	0.5
147.47096	0.3
147.58565	0.3
147.79715	0.3
149.02446	2.5
151.00380	3.7
153.01955	1.1
161.02438	0.4
166.02698	0.4
167.03511	84.1
168.03883	2.8
171.04523	0.5
179.03526	9.0
180.03830	0.3
181.05077	0.3
187.07645	0.6
189.05615	2.0
191.03549	0.9
211.07639	0.7
229.08687	1.0
255.06689	0.9
273.07709	100.0
274.08060	7.7
277.11383	0.4
297.07822	0.5
315.08575	0.3
328.96405	0.4
435.12698	1.5
435.21527	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	2.5
58.00603	1.1
59.01382	46.1
60.01720	1.3
61.98819	2.0
69.25676	7.3
70.89442	1.0
71.01386	19.9
72.01730	1.4
73.02945	10.6
75.00862	1.5
83.01398	3.3
85.02956	12.7
85.16039	1.1
87.00868	2.1
89.02454	10.0
93.03468	23.7
94.24816	1.0
95.01400	2.3
95.05013	2.2
99.00885	2.5
101.02454	50.8
102.02773	1.6
103.02874	1.2
108.02187	8.5
109.02952	5.3
113.02451	11.6
119.03443	4.9
121.02964	1.7
122.03773	1.5
123.04533	63.5
124.01719	1.3
124.04826	1.7
125.02512	1.9
131.03583	1.3
135.04550	1.1
137.02454	45.9
139.04047	1.3
139.11296	17.7
140.11591	1.4
143.03549	1.0
151.04025	4.5
152.01154	8.6
153.01956	3.8
153.05586	57.8
154.05940	1.6
161.04556	3.5
166.02626	2.0
181.05130	1.5
181.12334	9.1
182.12715	1.5
183.10272	21.3
185.11847	2.5
191.03529	1.1
191.05629	1.0
199.13419	7.1
213.06801	1.2
225.11369	5.8
227.12987	1.6
243.12375	100.0
244.12781	5.0
281.06686	74.3
282.07178	5.4
285.13400	4.0
287.14844	1.7
312.33276	1.1
345.15442	5.0
435.09119	17.7
435.22601	6.4
436.22568	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.1
61.98832	2.3
66.94630	1.2
67.59643	1.1
70.61878	2.9
77.32790	1.2
78.95904	1.2
91.88156	1.2
96.84359	1.2
107.05012	1.4
109.02944	1.5
129.07242	1.7
133.02940	2.1
135.04549	4.1
141.07095	2.0
143.05011	3.3
152.99648	1.8
157.06621	1.7
159.04530	18.7
160.45990	1.3
160.96297	1.3
161.02451	5.1
163.04021	2.7
171.04553	3.3
172.05263	2.1
173.06067	4.3
175.07607	5.6
178.06354	4.2
185.06093	6.3
193.08655	3.1
195.04546	2.2
196.05284	2.1
197.06119	10.4
199.04021	10.0
199.07588	2.4
201.05569	16.3
212.04767	1.8
213.05589	12.5
224.04730	3.2
225.05522	4.2
236.20848	1.1
240.04364	1.9
241.05080	100.0
242.05737	16.1
243.06621	85.5
244.06978	5.6
351.18008	2.6
435.14523	1.5
435.24048	2.7
435.31818	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	435.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29426	1.8
59.01376	6.4
67.23596	1.6
70.01390	5.5
70.01733	1.6
79.64066	1.4
96.96044	4.3
104.53893	1.4
116.85252	1.7
137.18814	1.7
143.05029	3.3
159.04524	14.6
163.04041	2.8
171.04480	3.7
173.06064	3.9
174.06477	1.7
175.07509	2.6
183.04512	1.9
185.06062	9.2
195.04572	2.7
196.05296	3.4
197.06093	9.3
199.03972	12.8
199.07690	2.1
201.05536	9.6
212.04773	2.1
213.05595	14.9
224.04822	2.9
225.05502	3.6
241.05074	100.0
242.05719	15.8
243.06619	69.6
244.06975	5.1
357.27774	2.2
375.29257	1.8
434.74567	1.7
435.31000	6.5
455.54480	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	6.9
59.01378	65.3
59.16242	5.5
61.98833	100.0
70.92979	6.1
70.93325	9.2
71.01370	54.7
73.02954	14.3
74.99104	10.2
83.01385	10.9
83.20167	5.3
85.02956	21.7
87.00879	9.3
87.04462	6.7
89.02467	23.9
89.37908	5.6
93.03446	6.4
96.97028	6.4
101.02448	41.0
108.02171	6.7
111.00941	7.5
113.02453	18.1
115.04000	6.2
117.05597	7.9
119.03564	6.4
123.00883	8.0
125.02451	10.1
136.10164	5.7
136.99191	11.6
137.02469	20.9
145.51360	5.7
152.04785	15.9
161.04578	10.9
169.01431	7.2
173.08095	7.5
179.03540	7.4
193.62389	5.9
205.05005	7.8
209.08144	6.2
212.06931	9.4
221.00056	6.9
225.32819	6.0
227.09222	42.8
230.62933	7.1
233.04460	6.9
347.08173	6.5
389.14606	75.9
435.13968	29.5
435.19147	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	435.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61330	2.6
59.01387	19.7
59.67833	2.5
61.98817	9.1
63.09953	3.3
69.97704	7.5
69.98057	4.7
71.01386	17.9
72.99308	3.1
73.02962	4.9
74.99088	6.5
75.00867	4.4
78.95914	2.9
85.02950	7.4
87.00904	3.5
89.02435	8.0
94.22033	2.6
95.01382	3.4
96.96957	4.9
98.21847	4.3
101.02444	9.2
107.01390	7.4
113.02451	7.3
120.99648	10.5
121.02941	3.0
123.00866	11.8
125.02457	38.4
137.02480	5.0
139.00377	5.0
140.01175	2.8
149.02429	12.1
150.03273	14.6
151.00357	10.7
151.04012	7.1
161.04482	3.5
163.00465	3.8
164.04842	7.8
165.01881	5.5
165.05574	44.2
167.03400	3.1
168.00687	3.7
169.01457	35.4
177.01820	3.4
179.03471	3.6
180.04337	4.2
181.05066	3.2
195.06609	10.6
237.04369	4.6
271.04626	4.5
299.04553	3.5
327.10843	8.6
435.11404	100.0
436.11517	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1666
Annotation	huazhongilexin
Peak:m/z	Relative Intensity
57.03458	1.4
59.01367	2.7
64.61723	1.4
65.89188	1.3
71.27657	1.9
72.99297	5.8
77.03944	1.9
78.60037	1.4
85.02945	3.7
85.06542	1.5
87.04514	2.6
95.05011	2.4
97.02942	1.6
103.59359	1.4
109.02939	2.7
109.06567	4.4
111.04517	4.1
113.02507	1.5
113.06028	1.7
113.09688	1.8
121.02976	2.8
125.02422	2.5
125.06050	4.9
133.07910	1.6
137.02362	1.9
149.02406	4.2
153.05537	2.0
155.75876	1.4
163.00525	1.4
163.03972	3.4
166.62706	1.5
169.01390	2.1
169.08714	1.7
175.04019	2.3
178.46515	1.5
179.07178	2.2
181.08755	11.1
183.06630	2.7
189.09184	3.1
190.02605	1.6
191.03435	5.2
193.08640	2.7
195.06599	3.1
197.08247	10.6
198.08449	1.6
199.06067	3.9
209.08182	5.4
215.03537	1.8
216.00552	1.4
217.05115	10.0
218.05774	23.1
219.06456	6.5
221.08116	3.1
231.06436	1.9
233.08211	71.1
234.08461	5.2
235.09662	1.6
237.07701	3.1
243.06625	3.4
259.05927	2.3
261.07700	100.0
262.08109	8.0
264.06445	2.1
265.07391	1.7
275.09106	5.7
297.07492	2.4
299.09207	2.3
303.08884	8.2
303.11914	2.1
345.09732	1.9
359.60339	1.8
361.05270	1.6
373.27377	2.0
391.17059	2.5
417.15518	3.7
435.16434	78.0
435.26828	4.4
435.31177	5.6
436.16757	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	435.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99829	17.5
69.03465	1.7
71.01388	1.5
81.03482	2.5
83.01373	1.5
93.03468	3.4
95.01420	4.7
97.02966	2.5
98.21798	3.4
105.03419	2.1
109.02976	10.2
110.00072	1.8
121.02966	8.3
123.00890	19.6
123.04466	1.6
124.01694	16.0
125.02461	49.2
133.54706	1.6
135.00867	2.0
137.02480	11.8
137.99507	1.7
138.03247	26.5
139.04012	6.3
144.72957	1.5
147.00977	1.9
148.01675	1.8
149.02509	7.1
149.99600	21.0
151.00336	2.5
151.04022	3.5
153.01953	23.6
153.05592	41.9
154.02432	1.5
154.05899	2.1
160.01648	2.7
161.02448	1.5
162.03169	2.0
163.00467	2.6
163.04039	2.7
165.01932	16.9
166.02583	1.7
168.00659	36.2
168.04291	79.4
169.01321	3.4
169.04691	2.6
175.00386	8.9
175.04005	1.4
176.01164	40.4
177.01927	27.7
177.05626	1.4
178.02727	16.3
179.03496	3.5
180.04297	5.6
181.05081	29.2
189.01961	3.6
191.03516	43.7
192.04294	59.9
193.01440	35.0
193.05063	24.9
194.02112	2.7
194.05739	1.8
195.02945	3.2
195.06650	6.0
196.07436	21.8
205.05090	3.8
207.06639	76.8
208.03781	42.2
208.06976	3.6
209.04506	10.3
211.09776	16.8
223.06128	100.0
224.06760	17.6
225.07637	2.9
238.04825	7.8
313.05698	2.0
341.06653	8.2
405.15961	3.2
417.08240	2.4
435.09332	47.2
435.16608	43.4
436.09683	7.0
436.16660	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	435.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	5.3
65.00312	1.8
69.05010	6.7
71.01378	1.1
79.95732	3.7
81.03475	1.5
82.00605	1.5
84.12466	1.0
93.03474	8.8
95.05027	1.2
96.96018	45.7
97.02956	3.6
98.22533	2.1
108.02148	3.1
109.02969	11.8
110.00085	3.7
111.30937	0.8
111.91087	1.0
112.98782	1.7
121.02931	3.7
123.00875	3.7
123.04548	1.6
125.02445	4.7
125.99611	6.7
130.03499	1.0
137.02454	55.0
137.99585	8.0
138.03189	1.7
139.00352	1.2
139.04016	4.7
141.01912	1.5
144.13335	0.9
149.02448	8.1
151.00348	1.6
151.03986	3.3
152.01131	3.8
153.01949	66.6
153.05490	4.6
153.99088	3.4
154.02289	2.7
155.03496	3.4
161.02415	1.5
163.03964	3.8
164.04720	3.1
165.05533	1.6
166.02730	2.0
168.04292	62.1
169.01358	1.2
169.04576	2.4
173.26552	1.0
177.01938	55.5
178.02673	11.0
178.06288	2.0
179.03513	95.8
180.03857	4.4
181.01375	1.3
181.05048	1.9
191.03500	1.6
192.04298	75.9
193.04976	6.1
193.08701	2.0
194.05846	85.4
195.06126	4.2
197.04555	2.2
207.06638	100.0
208.03745	1.9
208.06927	4.2
209.08199	49.8
210.08542	2.3
212.06747	1.0
212.89006	1.0
223.06126	3.4
227.09270	12.5
315.07260	1.0
341.06589	2.6
361.12909	18.4
362.13321	2.0
420.84305	1.1
435.08057	10.7
435.16519	38.0
435.22498	2.1
436.08725	1.5
436.16815	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	435.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66567	1.0
51.35031	0.9
55.01862	1.0
57.03445	2.7
58.00592	1.0
58.32734	0.9
59.01384	48.6
60.01718	1.6
61.98823	1.5
65.16470	1.0
71.01041	1.5
71.01395	22.6
71.05048	1.1
72.01742	1.1
72.61034	1.1
73.02945	11.1
83.01405	2.9
85.02957	8.5
86.08332	0.9
87.00868	1.2
87.04513	1.4
89.02446	11.2
93.03464	18.1
95.01392	2.7
95.05087	1.5
96.36221	1.1
98.22523	2.9
101.02449	54.1
108.02187	10.0
109.02972	8.6
111.00900	1.4
113.02466	7.2
119.03485	3.5
121.03039	1.0
123.00878	1.8
123.04536	61.0
124.01722	1.2
124.04875	2.7
125.02467	2.3
131.03397	1.0
136.01700	1.2
137.02458	51.2
139.11287	19.5
143.03493	1.8
146.08203	1.4
151.03976	3.3
152.01173	14.0
153.02014	6.3
153.05591	48.7
161.04591	3.0
165.09210	1.1
169.32915	1.0
179.05635	1.5
181.12360	10.1
183.10277	22.7
185.11865	2.3
199.13446	7.6
225.11320	5.7
227.12965	1.2
243.12379	100.0
244.12790	6.6
273.20789	1.2
281.06680	68.6
282.06943	5.7
285.13416	4.4
287.14923	1.8
295.08081	1.1
299.99164	1.1
345.15576	5.1
351.84946	1.0
392.94904	1.0
407.05478	1.1
435.08862	20.9
435.22662	9.4
436.09381	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	435.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76542	1.0
56.13455	0.8
57.03440	3.5
58.00606	1.2
59.01382	60.5
60.01723	1.1
68.99818	0.9
71.01386	22.5
72.99291	1.4
73.02944	8.1
75.00870	1.1
78.77240	0.8
83.01400	2.6
85.02951	14.4
87.00869	1.9
87.04507	1.3
89.02445	13.7
93.03471	14.7
95.01403	2.4
95.05029	0.9
97.02941	2.1
98.21789	1.7
101.02449	33.0
101.03114	1.9
108.02190	13.0
109.02964	10.0
113.02462	10.4
119.03534	6.0
120.99643	2.1
123.00945	1.3
123.04533	24.0
124.04873	1.4
125.02428	2.2
131.03520	2.3
137.02460	37.8
138.02757	1.2
139.11314	17.6
143.03494	1.2
146.08183	1.5
151.03973	1.4
152.01167	17.8
153.01970	6.0
153.05582	16.3
154.06013	0.9
158.76450	1.0
161.04547	4.2
163.11278	1.1
167.10730	1.0
179.05664	2.9
181.05055	2.4
181.12331	10.7
183.10268	25.9
184.10619	1.1
185.11827	4.5
199.13402	7.1
225.11337	9.5
243.12386	100.0
244.12724	5.6
249.06146	1.3
253.76099	1.0
267.12000	0.9
273.17065	1.1
273.20654	1.4
281.06683	24.6
282.07059	1.9
285.13452	21.0
286.13797	1.7
287.14917	1.8
315.07208	0.9
315.14349	1.2
345.15540	21.6
346.15912	1.5
349.18396	1.0
375.16501	1.5
435.09283	29.6
435.18149	3.7
435.22604	11.0
436.09485	3.6
436.22653	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.2
58.89128	0.4
59.01370	0.9
62.23714	0.3
67.01911	0.4
68.99819	1.0
69.43741	2.2
71.01379	1.0
74.02950	0.4
83.01389	0.4
83.05027	1.4
85.02952	5.2
85.06608	1.8
87.04514	3.8
87.39552	0.3
87.53166	0.4
96.99324	0.7
97.06593	0.6
99.00904	1.4
99.08118	0.6
101.06099	0.7
109.06602	0.8
111.00897	4.9
111.04537	0.6
113.06104	14.7
113.09740	12.0
114.06374	0.5
122.03741	0.4
125.02460	1.2
127.07661	1.0
137.06075	3.5
139.00381	0.4
139.03961	0.9
141.05641	0.4
153.05565	1.7
155.07149	9.6
157.05121	2.2
166.06325	1.3
169.01433	0.8
171.06612	0.4
178.49672	0.4
179.07146	1.8
181.05212	9.8
181.08716	100.0
182.05402	0.5
182.09044	4.7
197.08188	4.5
199.06133	43.1
200.06479	1.7
211.02550	0.6
253.10760	1.2
276.73593	0.4
281.78677	0.4
314.05878	0.4
314.15320	0.4
359.10596	1.5
359.60941	0.5
360.11325	1.2
366.87863	0.4
383.19943	0.4
417.18719	0.6
428.22601	0.4
435.20117	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	3.3
63.40292	1.6
71.05029	2.1
85.06595	5.9
87.00880	2.7
87.04525	7.9
95.05032	3.4
98.22607	3.5
109.02915	1.8
109.06601	3.6
111.04533	16.6
113.06099	14.0
122.03786	4.0
123.08157	9.9
125.02480	3.3
125.06105	3.2
129.46330	1.6
132.06537	1.6
138.03325	2.1
139.04033	4.7
141.09244	2.1
150.06854	2.1
151.07596	2.7
153.05568	7.8
165.09258	10.4
166.09529	1.9
167.07088	3.0
169.01472	6.1
177.09233	3.1
179.10750	5.1
181.08742	16.8
181.77225	1.9
183.06810	2.3
189.05582	2.7
189.09396	1.7
193.08694	3.3
195.06639	5.0
196.06926	2.3
199.06114	15.5
203.11865	1.7
205.05083	1.9
207.06715	3.4
208.07365	7.7
209.08237	29.2
210.08505	3.3
219.06607	2.2
219.13843	2.9
221.08127	15.3
222.08905	6.1
223.09775	6.6
225.07669	3.6
229.12782	1.9
233.08147	4.0
235.06157	2.8
235.09650	1.8
237.03430	1.9
247.13403	7.3
248.06923	30.2
249.07593	8.3
250.07953	2.7
261.07663	13.0
262.08017	3.1
263.12878	20.3
264.13235	14.6
265.13489	18.0
266.13626	2.0
275.09262	12.7
275.12860	5.2
276.06390	2.9
277.10049	2.8
277.14600	2.6
278.07944	3.8
279.08691	3.4
290.11539	8.3
291.12390	100.0
292.12775	8.1
293.13983	18.8
294.14279	2.1
303.12332	5.8
304.13071	4.2
319.11938	6.9
320.12460	1.9
321.13440	91.3
322.13977	9.0
345.17096	3.0
347.18469	16.3
348.18951	2.5
363.18216	14.5
364.18527	2.5
375.17340	3.5
390.64600	1.8
391.20316	3.2
417.14276	3.5
435.19327	11.7
435.24268	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89258	0.5
53.50767	0.4
55.01878	6.9
57.03455	5.2
58.00588	1.7
59.01382	47.1
61.98832	19.9
62.70624	0.4
62.74419	0.5
68.99803	0.7
69.03461	1.4
69.27154	1.0
69.27574	1.9
71.01387	59.9
71.27420	0.4
72.01727	0.8
72.99315	2.9
73.02950	29.4
74.52198	0.5
75.00885	0.6
81.03465	1.1
83.01390	21.9
85.02953	33.9
86.00092	1.1
86.03296	0.5
87.00882	3.8
87.04517	0.9
89.02454	11.0
93.03425	0.8
95.01398	5.0
97.02969	3.0
99.00890	9.5
101.02448	64.3
102.02785	0.9
103.04012	3.4
109.02963	1.3
111.00897	1.4
113.02457	24.5
115.03976	1.1
119.03509	3.6
123.04565	0.8
125.02450	4.6
127.04057	0.6
129.01944	1.3
131.03516	0.6
141.01964	0.6
143.03520	3.9
145.05055	1.4
151.62538	0.4
153.01945	0.7
159.03008	5.8
161.04579	28.9
162.04895	1.3
163.06154	2.1
168.00639	0.7
177.01978	1.3
189.01907	2.1
190.02689	0.6
191.03490	0.6
205.03609	0.7
205.07106	0.7
209.08241	0.7
210.08574	0.9
217.01407	1.5
219.02844	0.6
229.07219	1.3
247.08211	1.4
289.16583	100.0
290.16931	6.7
311.05444	0.5
333.15506	0.6
338.62180	0.5
341.06674	5.2
342.06900	0.6
435.10425	1.8
435.22348	23.1
436.22745	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	435.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92086	0.7
55.01875	1.9
56.04870	0.9
57.03447	1.2
58.00597	3.9
59.01383	83.1
61.98829	0.8
68.47343	0.6
69.39655	4.2
70.63379	0.8
71.01385	62.9
72.99323	3.7
73.02953	16.4
76.57844	0.9
83.01390	2.3
85.02957	9.9
87.00889	2.0
87.97410	0.7
88.70876	0.8
89.02451	100.0
90.02783	1.9
92.24601	0.7
94.94807	0.8
95.01385	2.1
97.02957	1.6
99.00887	27.2
101.02451	39.8
102.02773	1.1
105.45922	0.7
109.02925	0.9
109.79190	0.7
111.00859	1.0
111.04525	0.9
113.02458	13.6
119.03512	12.6
120.99541	1.0
125.02452	6.0
131.03516	15.9
137.02437	1.4
141.11914	0.9
143.03503	2.6
149.04568	44.8
150.04878	1.1
153.02065	1.6
161.03380	0.8
161.04509	4.1
169.01476	1.1
179.05620	3.2
179.07059	0.9
191.05627	13.8
207.06651	0.9
221.06607	1.1
239.60901	0.7
251.07809	2.9
267.52161	0.7
289.83514	0.8
303.18396	0.9
435.16656	1.0
435.22244	13.1
436.22855	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12557	0.2
62.96399	0.4
69.75452	1.1
71.72080	0.3
78.95911	53.7
96.96968	5.5
150.98076	2.0
152.99602	100.0
153.99944	1.5
171.00662	3.9
217.93614	0.2
266.84253	0.3
281.24908	1.3
435.25104	4.9
435.30466	0.4
436.25650	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2517
Annotation	LPA(18:1)
Peak:m/z	Relative Intensity
59.01386	0.2
59.17152	0.3
61.98822	0.2
62.96427	0.3
66.32108	0.3
75.68510	0.3
78.95908	63.0
80.00177	0.3
96.96965	6.4
111.04527	0.3
120.09065	0.3
150.98015	1.5
152.99594	100.0
153.99979	1.6
171.00659	3.3
281.24908	1.4
429.25760	0.4
435.19693	0.4
435.25110	6.2
435.31168	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20253	1.0
55.01876	2.5
57.03445	3.5
58.00590	3.3
59.01384	100.0
60.01716	2.0
69.13837	3.0
69.14243	6.8
71.01391	62.4
72.99280	3.0
73.02948	9.6
83.01381	6.3
85.02960	19.1
87.00885	4.0
87.04530	1.3
89.02453	61.2
90.02814	2.0
93.03483	2.1
95.01382	4.1
99.00895	4.7
101.02456	41.4
103.00551	1.2
108.02190	7.2
109.02972	10.0
112.72475	1.1
113.02456	26.0
115.04044	5.6
119.03504	28.7
125.02473	3.5
131.03540	3.8
134.11523	1.2
135.04512	5.4
137.01453	1.6
137.02429	10.8
137.09810	1.1
139.11397	2.5
143.03500	5.7
149.04543	2.4
151.00388	4.6
151.04050	1.1
152.01189	8.0
153.01976	8.3
154.23648	1.3
159.03049	1.9
161.02457	3.1
161.04561	11.5
162.02728	1.4
166.02715	3.5
179.05617	10.5
181.05106	3.7
181.12372	3.3
183.10278	5.1
199.13538	1.7
225.11375	2.6
227.07306	1.6
236.41165	1.1
243.12393	17.3
271.06113	2.0
273.06790	2.3
273.20755	20.5
274.21100	1.5
281.06516	1.3
285.13519	4.5
297.04007	1.5
299.68750	1.3
301.99780	1.3
302.69662	1.5
315.07181	2.3
327.08786	3.4
335.30887	1.3
342.11102	2.4
345.15533	4.7
357.13599	7.7
375.14276	2.6
421.72903	1.3
435.08887	10.9
435.21097	4.6
435.26697	44.2
436.26248	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	435.2601
Annotation	Eurystatin C
Peak:m/z	Relative Intensity
51.21985	0.7
55.01875	2.4
57.03438	3.6
58.00586	3.3
59.01382	100.0
60.01714	1.3
69.28973	1.7
69.29384	3.2
69.80737	0.8
71.01385	65.5
72.99303	4.1
73.02951	9.2
74.81841	0.8
74.99087	0.9
75.00881	2.3
81.03451	1.4
83.01389	5.5
85.02953	21.8
87.00894	4.2
87.04537	1.5
87.94770	0.9
89.02450	64.0
90.02772	1.3
95.01385	5.1
96.96043	2.3
98.85806	0.7
99.00895	3.8
99.04544	0.9
101.02448	41.4
101.06081	1.0
102.02814	0.9
109.02997	0.9
113.02458	29.3
114.02786	0.9
119.03510	28.9
120.99725	0.9
121.06609	2.1
123.04528	3.1
123.08189	1.2
125.02447	2.7
127.07637	0.7
131.03510	3.6
133.06639	1.3
134.07423	2.0
137.02469	2.8
143.03503	5.6
149.04570	1.8
149.09732	5.9
155.10762	3.9
159.02992	2.8
161.04568	17.2
175.92862	0.7
179.05634	14.5
193.12344	36.4
194.12669	3.3
229.08772	1.8
232.93309	0.9
237.11346	16.3
238.11743	2.0
273.07837	1.5
273.20737	17.7
274.20956	1.3
305.55328	0.9
375.20319	1.4
435.13351	3.1
435.26056	70.7
436.26404	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	435.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.6
58.00584	1.5
59.01383	62.1
62.10929	1.0
69.20428	7.2
69.20817	1.7
71.01386	32.7
72.01704	1.3
72.99308	2.2
73.02577	1.1
73.02937	4.6
83.01384	3.8
85.02954	11.7
87.00869	3.7
89.02456	28.7
93.03452	1.8
95.01394	4.8
95.38515	1.0
96.95998	2.1
99.00874	2.5
101.01823	1.7
101.02451	24.4
108.02175	3.3
109.02925	1.9
113.02460	14.3
114.02735	1.2
117.94921	1.1
119.03512	14.6
121.89601	1.0
123.04547	1.2
123.08173	13.1
125.02442	2.8
126.89222	1.2
126.99631	1.2
127.82828	1.1
129.00113	1.1
129.01993	1.3
131.03552	1.8
135.04543	4.6
137.02429	16.0
143.03508	2.5
149.09720	2.7
152.01175	2.6
153.01926	3.4
154.15306	1.1
155.10777	2.3
161.04587	10.6
171.11674	1.2
179.05603	7.2
183.06630	1.3
193.12346	1.4
199.09778	1.5
200.01094	1.3
202.01775	1.5
216.00653	2.3
223.53146	1.3
231.01828	1.1
237.11346	10.9
244.00050	1.6
246.00661	1.6
251.36606	1.2
273.07816	3.2
273.20746	7.2
284.99384	1.9
297.05984	2.3
299.99112	29.4
300.99634	42.4
301.99722	100.0
303.00388	48.9
304.00684	2.6
375.20041	2.1
435.04657	90.4
435.26178	27.7
436.04782	7.0
436.26392	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2754
Annotation	Lancifodilactone F
Peak:m/z	Relative Intensity
59.01382	7.2
62.60479	1.3
69.14333	11.2
76.62045	1.3
100.69589	1.4
152.99547	1.7
156.56329	1.5
229.78497	1.5
238.61684	1.3
276.45285	1.6
313.25458	2.4
331.26425	2.0
357.24506	2.0
373.27490	26.9
374.27844	4.4
385.01736	1.3
391.28531	23.2
392.28790	2.1
417.26544	5.4
435.27542	100.0
436.27838	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	437.0517
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06916	0.5
59.01367	0.9
63.02404	1.7
65.00336	1.4
66.43789	0.5
69.36156	1.9
69.36561	0.8
96.96017	0.6
102.63256	0.5
107.01394	2.5
108.02222	0.6
108.43844	0.6
109.02980	1.6
121.02962	0.6
133.02962	2.3
135.00920	0.8
137.02466	6.5
143.05078	0.7
147.00900	0.6
151.00348	3.3
155.05064	0.6
157.02975	1.4
159.04439	0.6
171.04457	3.3
173.02484	0.9
175.03979	1.8
183.04611	0.7
185.02472	0.5
187.04047	1.6
197.02426	1.3
198.03215	0.9
199.04024	6.4
201.01958	2.5
214.02617	0.9
215.03532	3.3
225.02005	1.0
226.02702	1.9
227.03487	4.4
242.02203	1.1
243.02972	6.3
244.15269	0.5
255.02974	2.2
271.02496	49.7
272.02780	3.7
299.01978	100.0
300.02420	7.7
301.03470	2.9
437.01614	0.6
461.01486	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.109
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62201	0.6
59.01142	0.6
59.01385	6.5
61.68622	0.5
67.01865	1.6
69.38227	2.8
71.01387	6.3
72.99293	1.4
73.02959	2.5
79.01893	0.5
82.00670	0.5
83.01395	1.4
85.02955	3.3
89.02412	1.3
90.09305	0.5
95.01389	1.3
97.02934	0.9
99.00917	0.7
101.02470	2.9
107.01392	7.4
108.02185	21.8
109.02953	2.1
111.00911	2.4
111.67252	0.6
113.02472	2.7
123.00007	0.9
123.00886	12.2
123.04535	13.1
124.01656	1.6
125.02457	46.3
126.02808	1.5
127.00394	0.8
130.50752	0.5
131.72757	0.5
136.98795	1.3
137.02458	1.3
139.00381	4.7
139.03987	0.7
140.01199	3.3
140.90477	0.6
141.01929	0.9
149.02530	0.6
149.05829	0.5
150.03238	0.8
151.00371	9.6
151.01564	0.6
151.03973	0.8
153.01913	1.7
154.99982	0.7
161.04558	0.5
165.01965	1.0
165.05548	0.7
166.99901	0.6
168.00703	3.2
169.01440	56.4
170.01724	2.0
179.03471	1.5
183.03055	1.2
185.11674	0.6
195.02997	0.6
195.06610	1.2
202.49014	0.6
211.02451	1.2
227.03331	0.7
241.03549	1.2
253.03545	0.7
287.14908	0.8
288.15247	0.9
289.15472	1.6
313.05670	20.0
314.05966	1.3
314.60178	0.5
317.58832	0.7
327.07123	1.7
338.23193	0.6
377.40195	0.5
415.99149	0.5
427.10156	0.6
437.10852	100.0
437.23627	3.0
438.11191	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	437.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04328	0.5
59.01384	4.9
69.51894	1.9
69.52310	0.8
71.01393	2.7
72.99331	1.1
74.42875	0.6
78.99206	0.5
83.01437	0.5
85.03007	0.5
87.00908	0.7
89.02480	1.5
93.03491	0.7
96.96056	1.5
98.22549	0.6
107.01388	3.2
109.03003	1.7
111.00928	2.2
111.33392	0.5
113.02495	0.7
121.02998	0.7
123.00941	2.2
123.04581	1.2
124.01647	3.2
125.02465	22.0
128.04524	0.6
136.98819	1.1
137.02451	12.7
139.00383	2.3
140.01205	3.9
149.02478	1.1
150.03244	1.8
151.00404	1.3
151.03984	2.3
152.04825	4.5
153.01941	1.9
154.02675	0.6
155.74718	0.5
161.04590	0.5
162.61723	0.5
165.01955	3.9
165.05630	1.8
167.03554	2.2
167.07227	1.1
168.00661	14.3
169.01440	37.3
170.01834	1.1
175.31253	0.5
179.03510	15.3
180.04192	2.1
181.05138	1.5
184.03827	1.1
194.05867	10.1
195.06601	2.7
197.04500	1.6
209.08218	10.2
211.02496	67.1
212.02893	3.1
212.06914	10.8
213.07375	0.6
225.07652	1.0
227.09274	22.1
228.09573	1.8
229.01608	0.5
241.03461	1.4
241.07155	1.1
271.04611	100.0
272.04971	4.9
297.06403	0.7
331.06747	12.3
332.07138	0.7
359.11322	0.9
377.48639	0.5
381.65973	0.6
389.16083	1.4
437.10703	25.8
438.10889	3.0
455.00049	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	3.3
69.03462	1.1
70.64192	1.6
71.01379	8.7
73.02932	1.8
73.36436	0.9
81.03472	1.1
83.01373	2.6
83.20631	0.9
85.02934	3.5
88.22338	0.9
91.01915	1.3
93.03490	1.3
95.01408	2.8
97.02929	1.5
101.02446	5.1
107.01401	3.8
108.02172	2.5
109.02955	47.2
110.03282	1.3
111.00867	2.4
113.02449	2.3
115.92118	1.1
121.02967	5.4
122.03767	1.5
123.00896	13.4
123.04556	6.2
124.01671	50.7
125.02470	26.3
135.00888	1.3
137.02443	2.8
138.03206	1.7
139.00423	1.8
139.04005	12.0
147.95720	1.0
151.00360	3.1
152.01144	3.2
153.01947	64.7
154.02240	2.1
167.03503	4.4
167.07138	16.3
169.01439	10.5
179.03505	1.0
195.02991	1.9
196.22600	1.0
207.19489	1.0
225.04085	1.5
269.06686	1.9
271.77612	0.9
297.06155	21.8
298.06302	1.3
311.07669	5.2
313.05695	4.2
395.19055	1.8
406.35889	0.9
437.10895	100.0
438.11322	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.5
57.03446	5.8
59.01379	18.6
67.01889	1.8
69.03449	4.5
69.20561	9.9
69.20953	2.5
71.01379	14.9
73.02937	5.4
79.01895	1.8
79.05556	1.4
81.03445	5.2
83.01385	2.0
85.02948	6.5
87.00868	2.2
89.02443	6.1
93.03451	3.6
95.01391	4.1
96.96000	4.5
97.02953	3.1
98.21661	2.2
101.02464	10.0
101.44090	1.5
107.01387	9.9
108.02168	11.2
109.02972	19.9
111.00879	5.0
113.02467	8.5
120.99655	4.3
123.00897	20.9
123.04536	31.2
123.08154	6.2
124.01666	21.6
125.02459	84.0
137.02460	4.9
139.00378	10.5
139.03993	4.3
140.01184	9.4
141.01988	2.9
143.03549	1.5
149.02480	2.9
151.00363	13.7
151.04076	2.1
152.01100	13.0
153.01947	31.2
155.03523	8.6
160.21260	1.5
161.04475	2.0
163.04019	2.6
164.04875	3.3
167.03552	8.1
168.00630	3.9
169.01431	69.9
170.01935	1.9
179.03586	1.8
179.07190	6.0
179.52991	1.4
195.06570	1.6
195.13976	1.6
201.11400	2.2
223.02423	3.5
225.07785	2.0
237.11285	4.6
239.12929	8.1
267.05093	2.0
271.20691	1.4
281.06876	2.8
283.04736	7.9
289.07196	2.7
289.93195	1.8
297.06076	6.2
311.07712	5.0
313.05679	10.9
341.10770	2.1
347.07758	2.8
363.79364	1.6
393.08215	5.0
419.06250	5.1
437.06128	17.1
437.11673	100.0
437.19772	5.6
438.11890	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	437.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04328	0.5
59.01384	4.9
69.51894	1.9
69.52310	0.8
71.01393	2.7
72.99331	1.1
74.42875	0.6
78.99206	0.5
83.01437	0.5
85.03007	0.5
87.00908	0.7
89.02480	1.5
93.03491	0.7
96.96056	1.5
98.22549	0.6
107.01388	3.2
109.03003	1.7
111.00928	2.2
111.33392	0.5
113.02495	0.7
121.02998	0.7
123.00941	2.2
123.04581	1.2
124.01647	3.2
125.02465	22.0
128.04524	0.6
136.98819	1.1
137.02451	12.7
139.00383	2.3
140.01205	3.9
149.02478	1.1
150.03244	1.8
151.00404	1.3
151.03984	2.3
152.04825	4.5
153.01941	1.9
154.02675	0.6
155.74718	0.5
161.04590	0.5
162.61723	0.5
165.01955	3.9
165.05630	1.8
167.03554	2.2
167.07227	1.1
168.00661	14.3
169.01440	37.3
170.01834	1.1
175.31253	0.5
179.03510	15.3
180.04192	2.1
181.05138	1.5
184.03827	1.1
194.05867	10.1
195.06601	2.7
197.04500	1.6
209.08218	10.2
211.02496	67.1
212.02893	3.1
212.06914	10.8
213.07375	0.6
225.07652	1.0
227.09274	22.1
228.09573	1.8
229.01608	0.5
241.03461	1.4
241.07155	1.1
271.04611	100.0
272.04971	4.9
297.06403	0.7
331.06747	12.3
332.07138	0.7
359.11322	0.9
377.48639	0.5
381.65973	0.6
389.16083	1.4
437.10703	25.8
438.10889	3.0
455.00049	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	4.5
67.01904	0.9
69.43612	1.4
69.44013	3.3
71.00572	0.6
71.01379	3.2
72.98967	0.8
72.99352	2.9
85.02993	0.6
89.02488	1.5
93.03512	1.2
96.96070	2.9
98.98859	0.5
101.02522	1.9
107.01401	3.4
109.02959	6.2
111.00955	2.0
113.02515	1.3
121.03005	0.7
122.03790	0.6
123.00954	2.7
123.04594	1.4
124.01644	3.0
125.02459	25.6
127.00370	0.9
132.44322	0.6
135.04602	0.7
136.01718	0.8
136.98894	1.3
137.02458	47.2
138.02808	1.7
139.00391	3.0
139.04056	1.4
140.00247	0.7
140.01155	3.6
149.02475	1.6
150.03262	3.3
151.00427	2.5
151.04004	3.3
152.04816	17.1
153.01962	3.6
154.64531	0.7
164.04869	1.0
165.01959	6.5
165.05533	3.5
166.02774	1.1
167.03557	2.6
167.07158	5.0
168.00652	14.2
169.01442	37.6
170.01851	1.2
172.62616	0.6
177.05650	0.9
179.03520	46.7
179.15010	0.7
180.04134	3.7
181.05008	1.7
182.29945	0.7
183.03081	1.2
184.03799	4.0
194.05858	40.4
195.06514	5.6
197.04611	5.4
209.08206	37.5
210.08623	1.9
211.02492	67.2
212.02834	2.7
212.06908	39.3
213.07283	2.1
223.06116	1.2
225.07744	2.2
226.00020	0.6
227.09262	92.0
228.09602	5.1
241.03427	0.8
241.07285	1.5
271.04602	100.0
272.04926	7.1
275.06085	0.7
297.06317	1.1
331.06708	12.7
359.11389	1.2
389.16309	3.0
437.10678	31.1
438.11160	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	437.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63813	0.3
57.03439	0.4
59.01392	0.5
62.31884	0.3
67.01873	0.4
69.08298	0.6
69.08702	2.0
69.82239	0.3
71.01439	0.4
72.99306	0.7
79.95728	0.5
95.01348	0.3
96.96027	2.2
101.02396	0.4
108.02187	1.0
109.02939	1.7
121.02992	0.4
123.00905	0.9
123.04531	6.4
125.02442	2.4
137.02467	7.8
137.03517	0.5
138.02856	0.4
150.03244	0.9
151.00504	0.5
151.04025	15.9
152.04422	0.5
153.01955	0.5
161.02403	0.4
165.01991	0.8
165.05588	2.3
169.01439	1.6
179.03517	100.0
180.03859	4.7
193.05032	0.8
194.05862	81.9
195.06212	4.4
203.07124	0.4
209.08212	81.5
210.08536	3.7
227.03481	0.4
227.09302	1.7
241.07185	0.4
255.02939	0.5
283.02524	0.5
283.07269	0.5
285.03928	0.5
313.05673	0.9
349.00092	0.7
378.65729	0.4
402.76056	0.4
407.08243	0.7
419.04587	0.6
437.10129	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	437.182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78860	0.3
59.01375	0.5
59.09209	0.2
64.04440	0.3
67.01897	0.4
68.53590	0.3
69.61377	1.5
74.39685	0.2
75.22894	0.3
75.35142	0.3
93.03491	0.3
96.96021	1.5
108.02190	0.5
109.02924	1.4
123.04541	6.7
124.04811	0.5
125.02439	1.6
137.02452	6.6
138.02779	0.3
139.84796	0.3
147.00957	0.3
149.06125	0.3
150.03200	0.6
151.00458	0.5
151.04025	17.8
152.04376	0.4
153.01915	0.3
153.05453	0.4
164.01134	0.4
165.01955	0.5
165.05583	1.3
165.69609	0.3
169.01469	0.7
179.03513	100.0
180.03822	4.3
185.93910	0.3
193.04994	0.6
194.05853	77.7
195.06197	4.2
209.08205	81.7
210.08551	3.9
227.09341	1.8
245.01009	0.4
252.20081	0.3
283.07156	0.4
302.99786	0.4
349.00302	0.9
407.08206	0.8
437.10733	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.0
59.01378	2.2
61.92738	1.2
67.28296	1.4
69.25009	3.8
69.25426	3.5
79.95700	1.1
87.89817	1.2
96.96017	1.2
99.04529	1.8
102.87107	1.3
103.98054	1.3
109.02931	1.8
110.70575	1.3
121.02924	1.2
125.02508	2.1
133.02965	13.6
134.03728	4.4
135.00905	2.7
135.04523	1.5
136.01744	5.6
137.02449	21.1
147.00906	1.7
151.04010	2.9
163.00424	1.7
164.01176	7.2
165.01936	100.0
166.02332	2.9
177.01964	7.1
178.02708	4.9
179.03505	59.0
179.07146	3.2
180.04297	60.8
181.04910	6.8
182.05806	3.6
193.08759	3.2
194.05820	13.3
195.06635	78.2
196.07359	7.3
197.08189	2.0
210.05327	14.3
211.09779	8.0
225.07698	55.7
226.08020	2.6
235.76848	1.2
259.02869	2.7
285.07776	2.0
289.44525	1.4
293.16089	1.6
327.08719	2.3
331.11719	2.0
359.11404	24.5
360.11752	2.4
366.92371	1.4
374.13788	14.6
389.16077	84.5
390.16385	8.1
437.05484	10.8
438.05911	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	437.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.0
71.01371	0.6
78.42868	0.4
79.95737	1.5
80.96527	1.1
93.93093	0.6
96.96014	6.2
98.22419	0.6
100.55640	0.5
109.02956	5.6
114.34246	0.5
123.00919	0.7
123.04529	1.2
125.02454	17.7
126.02823	0.6
135.04515	0.8
137.02460	54.3
138.02789	1.7
139.00406	0.6
140.12288	0.6
151.03966	2.5
152.04817	21.6
163.04068	0.6
165.01933	2.7
166.02650	0.7
167.07152	5.8
179.03513	36.1
179.07080	1.0
180.04153	2.1
184.03804	5.1
187.11533	0.6
194.05852	26.8
195.06497	3.5
197.04582	7.0
209.08195	25.2
210.08575	1.6
212.06917	49.2
213.07265	1.6
223.00827	0.5
225.07721	1.4
227.09261	100.0
228.09622	5.5
272.72968	0.5
331.02805	1.4
349.03857	2.2
364.99805	0.6
389.16016	2.0
437.05453	4.2
437.13361	1.6
437.18619	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	437.182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	1.3
59.01398	1.0
71.29597	1.3
79.95734	4.0
80.88628	0.9
93.03468	8.7
96.96021	11.0
99.00874	1.1
108.02165	1.7
109.02940	6.5
123.00903	1.6
123.04535	6.5
124.01690	1.4
125.02444	4.4
137.02454	25.7
137.66347	0.9
151.04015	19.9
152.04379	3.7
153.01945	11.1
162.03246	7.3
165.01932	22.7
165.05611	3.3
167.03511	2.1
169.01381	1.9
177.05598	8.6
179.03508	100.0
180.04231	16.4
194.05850	85.8
195.06599	20.6
209.08202	82.0
210.05400	2.5
210.08560	5.2
212.06900	1.8
217.05066	1.3
223.20107	1.0
225.07663	15.0
226.07896	1.1
227.09164	7.4
273.07742	2.8
274.08261	1.2
275.08160	2.2
275.14221	1.4
283.09607	0.9
360.59766	3.3
361.09607	1.2
436.60391	1.4
437.09412	8.7
437.18140	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40859	0.5
59.01403	0.6
61.98825	1.0
64.06902	0.5
66.53095	0.5
69.06948	0.5
79.95739	1.0
93.03479	1.2
96.95399	1.0
96.96018	17.1
98.22637	1.1
107.56485	0.5
109.02973	2.0
123.04530	6.2
124.04855	0.7
125.02475	0.8
137.02470	8.1
151.04027	16.2
152.04413	0.7
153.01927	1.5
162.03250	1.7
165.01933	2.5
165.05571	1.5
167.03429	0.6
169.01387	0.6
177.05554	1.3
179.03511	100.0
180.03886	5.5
189.02028	1.0
190.02408	0.5
193.05057	0.5
194.05853	81.6
195.06302	5.0
209.08206	89.0
210.08521	5.3
217.01395	0.7
225.07773	1.7
227.09306	2.7
227.17683	0.6
234.98839	0.5
235.77585	0.6
313.06589	0.6
342.07056	1.7
343.07294	3.6
389.16101	0.9
437.08926	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	437.182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29875	0.8
55.70234	0.7
55.84067	0.7
57.80235	0.6
59.77685	0.7
66.69956	0.7
75.57974	0.8
90.41973	0.7
96.96041	1.9
109.02956	1.4
123.04527	5.3
125.02485	1.6
137.02461	6.8
151.04019	15.7
165.01930	5.1
165.05588	2.1
169.01456	1.0
179.03510	100.0
180.04080	6.8
194.03929	1.1
194.05850	83.5
195.06540	11.2
209.08203	83.6
210.08476	3.9
227.09261	2.6
228.01106	0.7
268.70447	0.8
338.08304	0.8
350.99557	0.8
412.61337	1.0
437.09219	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1946
Annotation	CHEBI:66264
Peak:m/z	Relative Intensity
50.66162	0.4
67.66300	0.5
71.28580	0.9
78.95898	1.5
90.93604	0.5
91.90831	0.5
108.02229	0.6
109.02971	0.6
111.04542	1.4
125.06025	0.8
135.00902	2.8
152.99564	2.1
155.00041	1.0
161.06096	19.5
162.06480	0.6
175.11259	1.9
178.06372	12.0
179.07124	1.9
181.08704	2.0
181.79639	0.5
191.07118	1.0
193.05016	1.1
201.05373	1.2
203.03299	1.3
205.08746	0.8
219.06401	5.9
219.10229	6.1
220.10802	0.8
221.11772	2.2
233.04324	11.0
235.13399	5.7
248.57277	0.6
251.05402	1.6
263.05389	4.5
295.04367	2.5
295.13431	1.0
297.11240	0.8
309.07520	0.9
335.12634	2.1
339.12347	11.4
340.12717	1.4
361.10663	0.8
367.15536	1.1
371.14905	0.9
379.11636	18.3
380.11923	1.6
392.12354	0.7
394.13916	4.2
395.14841	0.9
407.14813	2.1
419.18613	0.8
437.19467	100.0
438.19815	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	437.2185
Annotation	Enanderinanin G
Peak:m/z	Relative Intensity
56.59355	2.8
57.03435	4.7
59.01373	3.8
65.62043	3.1
67.84066	3.4
72.89388	2.9
73.02946	4.1
96.96011	54.6
99.00896	6.7
111.00887	5.1
125.02450	7.9
137.02594	4.1
193.16109	4.2
203.18069	6.2
204.22447	3.6
219.17557	6.5
223.13402	9.6
231.17738	4.5
247.17067	28.4
259.17084	11.0
273.22263	38.2
291.16122	32.1
296.70416	4.5
317.21249	28.9
335.14941	12.7
339.25558	5.3
357.26410	10.1
361.20325	17.4
378.17987	3.7
393.22900	12.5
405.19269	40.8
406.19424	4.2
437.21912	100.0
437.27185	5.7
437.30798	7.4
438.22354	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	437.3061
Annotation	Salacenonal
Peak:m/z	Relative Intensity
53.54599	0.4
53.93863	0.4
69.03555	2.5
69.03958	1.0
69.91655	0.4
82.29925	0.4
98.22562	0.6
143.36211	0.4
164.45950	0.4
176.75015	0.4
188.38045	0.5
372.33597	0.5
377.28702	0.7
437.30618	100.0
438.30957	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	438.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56294	5.0
56.51746	4.2
57.03444	7.4
59.01376	42.0
69.48742	22.9
71.01391	46.1
73.02960	23.6
74.75925	5.7
83.01388	15.2
85.02961	18.9
85.72778	5.4
89.02455	8.7
96.99561	6.0
97.02973	6.3
99.00842	5.7
101.02457	42.5
113.02431	14.2
119.03508	4.2
125.02438	11.6
131.83403	4.5
155.03555	5.8
161.04605	11.6
168.36356	5.2
249.13451	81.1
395.19247	100.0
396.19684	8.4
439.12549	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	438.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51918	4.6
59.01379	30.6
66.16818	4.5
68.34251	4.7
69.28014	26.7
71.01389	34.3
73.02946	14.8
77.24031	6.2
80.07981	4.4
83.01403	10.5
85.02953	18.1
85.75214	4.7
89.02460	7.2
98.21781	10.7
99.00913	5.2
101.02441	41.8
113.02479	13.0
125.02454	7.7
132.09593	5.1
135.64520	4.8
136.99155	5.1
161.04503	11.5
249.13440	65.3
277.07425	5.0
395.19205	100.0
396.19629	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	439.0313
Annotation	Unknow
Peak:m/z	Relative Intensity
61.94805	0.5
63.96248	2.2
69.04040	3.4
76.90022	0.5
82.43136	0.5
89.02460	1.1
89.91298	0.6
96.96018	5.1
109.02980	1.6
121.03030	0.5
122.01466	0.5
123.04527	0.9
125.02483	1.4
137.02449	0.8
149.02519	0.8
151.04041	2.4
154.30661	0.5
160.01651	0.6
171.04478	0.5
172.01758	1.0
176.01250	0.7
181.05118	1.6
187.00380	0.6
200.01160	1.7
214.99942	1.6
216.00662	1.9
226.99954	0.7
228.00635	0.7
230.99713	1.7
242.99353	7.5
244.00067	2.1
269.01004	0.7
270.98859	34.5
271.01965	1.3
271.99338	2.8
272.03207	0.5
283.99664	9.8
285.00317	1.7
289.07150	0.9
297.00198	0.9
298.98431	33.1
299.01974	5.5
299.99121	86.6
300.99496	5.4
313.00043	1.4
314.00699	1.4
363.08597	0.6
407.00668	0.7
424.00577	0.9
439.03055	100.0
440.03424	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	439.0677
Annotation	(-)-Amurensisin
Peak:m/z	Relative Intensity
57.03432	0.9
83.01379	0.7
93.03481	1.1
95.05039	0.7
96.96017	6.9
98.22636	1.1
108.86353	0.6
109.02943	2.4
121.02941	1.0
123.00870	1.4
123.04518	2.8
125.02452	5.1
133.02933	0.6
135.04553	0.7
137.02446	2.1
149.02420	1.1
151.03986	2.4
159.04459	1.7
161.02452	2.1
163.04031	1.0
165.01962	1.3
169.01454	1.0
171.04530	1.1
173.02507	0.9
175.04042	0.9
177.01939	1.2
187.03999	2.1
189.01982	1.1
190.02731	0.9
191.03491	1.8
199.04054	0.9
200.01164	0.8
201.01837	1.4
202.02687	1.3
203.03470	1.3
206.02118	1.0
207.02966	2.3
214.02638	1.6
215.03459	2.3
217.01506	1.1
218.02173	1.1
219.03021	3.6
228.00624	1.4
229.01396	1.8
229.21353	0.7
230.02246	3.3
231.02963	2.4
232.03738	0.8
233.04648	0.8
241.01448	0.7
242.02165	3.1
243.03061	4.6
244.03760	2.0
245.00975	2.8
245.04498	1.9
246.01628	1.6
256.03638	0.8
257.00912	1.1
257.04559	1.3
259.02441	3.8
260.03201	1.7
269.01059	0.9
270.01688	2.0
271.02509	2.6
271.05612	0.7
274.01218	17.9
275.01920	7.7
286.04813	0.9
287.02026	18.5
287.05194	0.8
288.02740	21.7
289.03241	1.9
298.98547	0.8
299.99042	1.5
300.99905	1.0
301.03494	1.3
315.01575	1.3
317.02969	1.8
329.03055	1.5
381.94281	0.7
439.06696	100.0
439.16483	2.9
440.07010	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	439.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.3
63.00108	0.2
69.17474	0.2
69.22090	0.2
76.25826	0.2
78.95908	47.3
79.98038	0.2
86.79204	0.2
89.02454	0.3
96.96968	100.0
115.02818	0.2
138.65471	0.2
179.05582	0.4
240.61435	0.2
341.10724	0.3
439.08417	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46248	0.3
54.51437	0.4
59.01377	1.4
69.22709	1.2
69.23102	1.0
71.01379	1.0
78.95911	49.6
85.85174	0.4
89.02452	0.8
96.68226	0.4
96.96970	100.0
98.22517	0.4
100.32418	0.4
101.02483	0.5
110.78594	0.4
113.02489	0.4
155.97441	0.4
164.88582	0.4
167.34724	0.4
179.05490	0.8
248.65305	0.4
321.45239	0.4
341.10886	1.7
438.56998	0.4
439.08429	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.7
56.98023	0.6
57.03468	0.6
57.42712	0.4
59.01388	4.8
60.18794	0.4
67.01900	0.5
69.03457	3.2
69.95062	0.6
69.95406	2.0
71.01387	3.9
71.05020	0.6
72.99295	0.9
73.02954	1.1
74.99113	1.1
75.00867	0.5
76.30651	0.5
78.95915	0.7
79.01895	1.1
81.03454	1.2
83.01387	2.4
84.95139	0.8
85.02966	1.6
87.00893	1.3
87.04561	0.5
89.02444	1.8
90.18746	0.5
92.90349	0.5
93.03434	0.9
94.70524	0.5
95.01382	1.5
96.96027	0.9
97.02969	3.4
97.06600	0.6
101.02450	2.2
107.01401	5.7
108.02211	1.0
109.02970	0.9
111.00884	2.0
111.04512	0.6
113.02487	1.8
120.99648	1.4
121.02943	1.1
121.78058	0.5
123.00881	6.3
123.04578	0.7
124.01711	4.2
125.02456	100.0
126.02798	2.8
127.00426	0.8
127.07689	0.7
133.05066	0.6
136.98842	0.8
137.02435	2.1
139.00392	3.4
140.01170	2.0
149.02458	2.0
150.03250	4.7
151.00372	3.9
151.03960	1.0
152.01184	0.7
153.05574	0.5
161.02483	0.9
165.01907	4.2
165.05566	4.4
167.03491	1.2
168.00688	2.7
169.01433	34.6
170.01755	1.1
179.03522	1.8
180.04269	3.4
189.05560	0.6
189.07681	0.5
189.09544	0.5
195.06633	10.3
203.03363	0.6
211.02428	1.3
225.07822	1.2
233.10365	0.6
271.04660	1.5
287.07721	6.0
297.06259	0.7
313.05667	15.6
314.06165	0.7
331.11847	0.7
379.15921	1.1
391.14258	1.5
439.08813	63.5
439.18118	1.9
440.09109	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	439.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15941	1.1
55.01913	0.7
57.03450	4.0
59.01381	6.1
61.98843	0.9
67.01880	1.5
68.99824	0.9
69.03458	2.7
69.58853	2.7
69.59278	1.6
71.01380	7.5
72.99275	1.2
73.02939	1.9
73.99628	0.6
74.99097	1.1
75.00862	0.9
78.91888	1.7
78.95824	0.7
79.01920	1.2
81.03458	1.7
83.01378	2.3
85.02960	3.4
87.00871	2.2
89.02444	2.3
90.07276	0.6
93.03465	1.9
95.01403	3.1
96.96976	1.4
97.02934	4.2
99.00871	0.9
99.04557	0.8
101.02435	4.0
107.01398	7.0
109.03003	2.1
111.00888	9.2
113.02451	3.3
118.98067	0.8
119.05009	0.7
120.99643	1.6
121.02976	1.3
122.03690	0.7
123.00884	10.2
123.04511	1.4
124.01671	19.0
125.02456	84.2
126.02807	1.3
133.06602	1.8
137.02426	6.1
139.00369	3.3
139.04025	1.5
140.01184	3.4
141.02000	0.9
145.03000	0.9
149.02414	2.5
150.03226	4.0
151.00346	4.5
151.03986	2.7
153.01903	1.1
161.02422	1.0
161.04607	1.1
165.01939	8.0
165.05554	6.9
167.03502	2.2
168.00639	4.6
169.01436	47.8
170.01712	1.0
177.01932	1.3
179.03510	2.4
180.04326	4.1
195.06633	8.6
196.06963	0.7
210.05394	1.2
211.02480	7.9
225.07707	4.5
233.08296	0.9
241.03639	0.8
243.03082	1.0
247.02589	0.9
249.06175	1.4
271.04630	10.9
297.06143	1.5
300.99939	1.6
305.02768	1.4
313.05676	15.0
319.97318	1.0
331.06720	0.8
403.12683	2.3
439.08832	100.0
440.09213	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	439.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90226	0.4
55.01893	0.4
55.66721	0.4
56.97989	0.3
57.03445	1.2
59.01377	0.7
64.53166	0.4
64.87109	0.4
67.01884	0.6
68.99857	0.4
69.03464	3.0
71.01379	1.7
72.99317	0.3
73.02889	0.4
79.01904	0.8
79.94554	0.3
81.03461	1.1
83.01397	1.9
85.02966	0.9
85.62927	0.4
87.29790	0.4
95.01409	0.7
96.95992	0.5
96.96899	0.4
97.02951	2.8
101.02491	0.7
107.01404	5.8
108.02219	0.5
109.02959	1.0
111.00897	1.3
113.02480	0.8
115.22894	0.4
117.03513	0.4
121.02953	0.8
122.03750	0.8
123.00904	5.7
123.04536	1.5
124.01675	4.8
125.02454	100.0
125.62425	0.4
126.02778	3.1
127.00397	0.6
136.98816	0.7
137.02441	2.0
139.00345	2.4
139.04085	0.5
140.01155	2.4
149.02469	3.0
150.03242	7.4
151.00356	3.5
151.04036	2.0
159.04362	0.5
161.02371	0.9
161.39197	0.4
163.00375	0.4
163.04027	0.6
164.01154	0.5
164.04825	0.8
165.01932	4.7
165.05566	7.2
167.03517	1.3
168.00670	2.6
169.01433	30.4
170.01849	0.9
175.04001	0.8
177.01913	0.6
179.03590	0.7
180.04320	3.2
191.03558	0.8
195.06638	13.2
196.07018	0.6
199.04070	0.4
203.03448	0.4
211.02457	1.4
213.02220	0.5
241.03624	1.1
243.03128	0.9
243.08713	0.7
261.03867	0.6
271.04599	0.7
287.07803	5.3
288.07849	0.5
289.07123	1.0
293.64526	0.4
297.06085	1.0
300.99890	0.7
313.05688	15.8
314.05902	1.1
331.11893	1.0
367.11191	0.4
391.13898	1.3
439.08835	62.7
440.09149	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	439.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05757	0.4
59.01380	0.6
59.50017	0.4
61.18407	0.4
61.85238	0.4
67.01900	1.1
69.03461	1.0
69.26621	2.1
69.51141	0.4
71.01369	1.8
73.57863	0.5
81.03475	0.6
83.01361	0.5
85.02966	0.4
87.59522	0.4
94.59259	0.3
95.01411	0.9
96.96033	0.5
97.02974	1.3
101.02480	0.9
107.01393	5.9
109.02967	0.7
111.00887	1.0
113.02454	0.8
123.00903	3.6
123.04527	0.4
124.01688	1.5
125.02455	100.0
126.02793	2.1
137.02429	0.7
139.00406	1.5
139.03844	0.6
140.01175	0.5
149.02484	0.6
150.03236	1.3
151.00388	3.2
151.03952	0.8
152.93309	0.5
161.02487	0.7
165.01932	0.9
165.05598	1.7
167.03532	0.6
168.00636	1.2
169.01433	37.3
170.01747	1.6
177.01994	1.2
180.04265	0.8
195.06619	3.1
211.02409	0.9
225.00653	0.6
241.03467	1.3
271.04498	0.7
287.07751	14.9
288.08139	0.7
289.53683	0.4
313.05646	13.7
313.09250	0.8
314.06091	1.6
341.60236	0.5
439.08823	49.8
440.09238	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	439.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19689	0.7
55.03779	0.8
57.03443	5.4
59.01379	5.7
64.69469	0.9
69.03466	1.4
69.52750	1.9
69.53149	2.7
71.01385	3.9
73.02939	1.4
75.31876	0.8
77.03943	0.9
79.95761	1.3
81.03473	2.4
83.01380	5.5
85.02945	1.4
93.03461	4.1
95.01389	1.9
95.05025	2.5
96.96004	9.9
97.02930	5.3
99.04514	1.2
101.02462	2.4
108.02210	4.3
109.02964	21.2
121.02990	3.2
122.03778	1.2
123.00965	1.4
123.04537	15.0
124.01697	2.0
125.02459	30.3
125.03350	2.0
135.04564	2.9
137.02463	27.7
138.03165	0.9
139.04054	3.3
145.02922	5.8
146.03699	0.9
147.04543	0.9
149.02451	5.5
151.04048	5.3
152.01140	1.3
159.04517	4.3
160.05223	1.3
161.02486	2.2
161.06122	5.2
162.03210	1.6
163.03935	0.9
164.01172	2.0
165.01952	15.5
167.03554	5.0
167.04793	1.0
174.03212	1.0
175.03996	1.7
175.07663	1.3
179.03517	6.6
181.06732	1.1
185.06104	2.5
187.04051	4.3
188.04787	3.1
199.07593	1.1
201.05588	1.4
202.06490	1.5
203.07166	11.6
205.05064	6.6
209.06306	1.0
209.08168	1.5
221.08167	2.8
227.07172	2.6
229.05037	1.5
230.05762	1.6
231.03131	1.0
245.08218	16.2
252.32608	0.9
253.05144	2.7
271.06119	9.3
273.07675	2.0
277.16702	1.2
289.07199	100.0
290.07568	6.4
303.08636	1.4
379.13956	1.2
401.73297	1.0
439.10645	2.8
439.16205	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	439.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78625	0.2
55.01876	0.3
59.01390	1.6
62.15529	0.2
71.01390	2.1
72.99279	0.2
73.02944	0.7
79.95745	7.2
83.01373	0.4
85.02934	1.0
89.02453	0.8
93.03484	0.6
95.01381	0.3
95.95268	0.3
96.96020	100.0
97.95987	0.4
99.00893	0.4
101.02460	1.9
110.97574	0.8
113.02461	0.9
119.03513	0.5
119.05035	0.5
119.98397	0.2
121.02956	0.6
123.00843	0.2
123.04485	0.2
125.02473	1.1
135.04521	0.5
137.02477	0.8
151.04013	0.5
157.08727	0.7
161.02399	0.2
161.04558	0.6
165.01805	0.2
168.00648	0.2
169.01485	0.3
195.06587	0.3
219.10321	0.5
222.04701	0.2
224.44939	0.2
229.29073	0.2
239.23633	0.2
247.09787	1.2
269.08188	2.0
271.09717	0.3
277.16550	0.7
299.09207	1.4
300.99979	0.2
305.10367	0.9
314.11658	2.1
315.11963	0.2
321.68835	0.2
342.05676	0.3
395.13589	1.1
396.13669	0.3
407.67902	0.2
439.10715	34.6
440.11029	4.1
440.16812	0.3
454.80212	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01613	0.1
69.11700	0.6
69.12112	0.4
69.13914	0.1
70.44158	0.1
79.44016	0.1
79.95744	2.7
96.96019	100.0
97.95973	0.4
98.22493	0.2
110.97600	0.2
125.02476	0.4
137.02438	0.2
145.03014	0.1
229.83676	0.2
258.15582	0.1
269.08105	0.3
269.64764	0.2
287.01938	0.2
299.09244	0.4
314.11465	0.2
439.10733	19.4
440.10916	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	3.5
69.16153	1.1
69.16557	2.9
75.71006	0.4
93.03458	2.7
93.60896	0.5
108.02203	0.6
109.02961	2.9
121.02970	3.4
122.03751	8.8
123.00880	0.5
123.04558	3.2
123.92303	0.6
125.02460	19.8
133.02948	1.4
134.04680	0.6
135.04541	1.2
136.01712	0.6
137.02481	4.9
139.04008	1.2
149.02444	12.7
149.13522	0.4
150.03239	60.2
151.03998	4.4
152.01151	0.4
153.01984	0.6
160.05260	0.6
161.02419	2.2
163.00423	0.8
163.04028	1.0
164.01181	0.8
164.04805	2.1
165.01945	21.7
165.05582	68.3
166.05936	2.8
167.03522	1.9
168.55948	0.5
169.01424	1.4
175.03934	0.9
177.01952	3.8
177.45993	0.6
179.03500	0.7
180.04291	22.3
181.04822	1.8
195.06636	100.0
196.06961	5.3
199.04018	0.5
203.07181	0.6
205.05020	0.8
217.05080	0.8
243.02919	1.4
243.08699	1.1
245.08127	0.9
287.05713	0.8
289.07144	4.8
299.08768	0.5
300.99933	1.3
301.03281	0.6
331.11826	0.6
337.00092	1.0
391.13803	1.2
420.98254	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.4
58.13648	0.7
59.01380	12.3
65.49352	0.7
71.01028	1.0
71.01379	6.8
71.29028	0.8
71.29441	0.8
72.99308	1.5
73.02946	1.5
73.98306	0.8
74.99096	1.3
85.02962	2.2
87.00882	0.8
89.02456	8.6
91.12186	0.7
93.03465	2.7
95.05015	1.1
96.96048	1.5
96.96996	0.8
97.02953	1.3
97.06573	1.0
99.04529	0.9
101.02431	4.9
108.02161	1.9
109.02966	2.9
111.00890	1.6
113.02443	3.3
119.03518	2.3
119.05034	1.2
120.99680	1.5
121.02982	2.7
122.03771	7.2
123.00906	1.8
123.04550	1.9
125.02448	11.4
127.07634	0.9
131.03468	1.9
135.04570	1.1
136.77736	0.7
136.94907	0.7
137.02457	6.6
139.04022	1.1
143.03458	0.9
143.07185	1.0
145.02921	1.2
149.02461	20.2
149.04491	0.9
150.03233	56.7
151.03987	4.4
152.01271	1.1
161.02438	1.2
161.04590	1.0
163.03915	1.1
163.62325	0.8
164.04802	5.7
165.01930	25.2
165.05576	54.7
166.02434	1.3
166.05901	2.4
167.03473	1.0
169.01421	3.1
174.78407	0.8
177.01909	1.3
179.05629	1.6
180.04292	23.8
181.04930	2.9
191.05627	1.1
195.06630	100.0
196.07056	4.9
221.11867	1.9
225.07703	0.9
233.04344	1.0
243.08752	2.2
244.17032	0.9
247.11838	1.3
259.02441	1.1
275.48209	0.8
289.07056	1.4
301.07126	2.6
316.09601	1.5
331.11859	8.4
351.11151	6.2
376.11984	0.8
379.16156	1.2
391.14001	14.2
392.14453	2.1
400.46939	0.8
439.08478	2.8
439.17627	7.7
440.16116	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	8.2
59.01096	6.1
59.01382	97.8
67.01910	4.2
69.03540	10.5
69.03970	15.7
70.85838	2.7
71.01384	36.8
72.99302	4.8
73.02937	9.6
74.99114	6.4
82.29871	2.7
83.01384	8.4
85.02962	16.9
86.83281	3.1
87.00866	9.3
89.02440	34.8
93.03474	3.1
95.01390	6.1
96.96087	2.8
97.02964	5.5
99.00879	4.2
101.02446	32.3
107.01364	7.2
108.02197	24.0
109.02958	20.5
111.00864	7.1
113.02428	20.4
118.18607	2.7
119.03510	5.3
119.05001	2.6
120.99638	8.8
121.02972	8.4
123.00880	12.5
123.04532	6.8
124.84182	2.5
125.02462	100.0
131.03514	8.1
133.05087	28.8
137.02480	9.0
139.00383	3.8
139.03983	6.5
141.01927	6.6
145.63155	2.8
149.02437	3.9
149.04552	11.5
150.03244	13.8
151.03992	12.0
152.01184	19.3
153.01930	10.9
159.06633	6.4
161.02460	7.1
161.04549	11.3
163.06047	2.6
165.01950	8.2
165.05582	17.4
167.03455	3.6
169.01454	73.8
175.04135	3.7
177.01921	3.8
180.04282	6.1
185.10902	2.8
190.00941	15.3
191.05620	7.6
195.06599	14.8
205.03282	10.8
233.08209	3.6
233.10405	5.4
247.11900	5.6
275.09186	3.7
277.07269	3.1
289.07193	4.5
313.05725	21.8
315.07281	10.1
336.99973	4.7
379.16040	23.3
397.17078	5.6
398.47531	3.5
420.98285	3.3
439.08578	87.3
439.17822	27.1
440.09125	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	439.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74462	0.7
55.01871	5.1
55.29263	0.7
57.03445	3.6
58.00576	2.4
59.01381	42.7
66.78288	0.6
69.03447	1.9
69.20103	3.7
69.20509	1.5
71.01385	57.9
72.01729	0.6
72.99304	2.2
73.02950	27.0
75.00867	1.6
81.03478	0.7
83.01392	11.4
85.02956	28.4
86.00080	0.8
87.00896	4.2
89.02445	18.0
95.01396	4.0
97.02947	3.2
99.00882	11.3
99.04530	0.8
101.02446	55.2
102.02792	1.5
103.02788	0.6
103.03975	0.9
105.70088	0.6
107.43569	0.6
108.02186	1.5
109.02953	0.8
111.00899	2.3
113.02457	23.6
115.04012	1.7
119.03516	3.5
120.99638	0.7
123.00877	0.8
125.02434	6.2
129.01970	1.3
131.03502	3.5
143.03519	3.3
145.12325	1.8
149.02411	0.8
149.04562	2.3
159.03012	5.1
161.04562	21.8
161.05901	1.4
162.04872	0.9
163.06252	0.9
165.05537	0.9
169.01378	0.8
189.09540	1.4
191.05566	1.3
195.06674	0.7
224.52098	0.9
233.06628	2.4
259.09808	0.9
293.08823	1.2
307.17624	70.7
308.18073	4.9
357.05569	0.7
393.17477	1.2
401.14670	2.1
423.14551	0.7
439.21857	100.0
440.22244	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	439.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	6.9
57.03442	5.2
58.00598	1.7
59.01095	2.6
59.01383	41.2
60.24505	1.1
67.33070	1.1
69.03444	2.2
71.01389	69.8
71.28193	1.5
72.99304	2.7
73.02955	34.0
74.99091	3.6
75.00884	1.7
81.03478	1.5
83.01386	15.2
84.01713	1.3
85.02962	34.6
86.00111	2.6
87.00877	5.6
88.01804	1.2
89.02460	18.1
93.03446	3.8
95.01392	5.6
97.02947	5.2
99.00883	12.5
101.02452	71.0
104.58079	1.5
108.02197	3.1
109.02999	6.3
111.00900	7.8
113.02465	24.9
115.04031	2.5
119.03531	2.2
120.99648	3.6
123.00935	2.1
123.04540	2.4
124.01665	3.4
125.02483	13.4
129.01907	2.6
131.03532	4.2
136.99158	3.1
137.02464	2.5
139.04050	3.1
143.03511	5.6
145.12318	1.4
149.02666	1.2
149.04594	2.4
152.01137	1.9
153.01927	4.1
159.02983	7.3
161.04565	24.1
162.04921	1.7
165.01920	1.6
169.01404	3.5
191.05519	1.5
193.01564	1.2
195.06818	1.6
233.06706	3.3
289.07220	2.2
293.08820	1.9
307.17648	99.3
308.17914	6.2
370.38928	1.2
439.11658	10.7
439.21851	100.0
440.22186	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	439.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	33.3
66.93693	9.7
69.00304	85.8
69.55304	9.9
88.98814	64.9
96.96011	100.0
98.21803	21.3
106.19849	9.6
118.88501	10.0
130.21825	9.9
132.21669	10.5
141.01738	14.6
148.76292	10.5
165.12811	19.3
200.41025	10.8
207.09842	11.7
233.11557	52.8
233.88223	11.9
239.36230	10.6
277.28296	12.5
287.01953	12.3
313.96982	47.9
328.99426	80.2
344.01776	84.0
349.19876	25.6
359.04059	98.8
439.06476	15.5
439.19107	18.4
439.24200	20.4
453.96310	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	439.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39759	1.0
63.82189	1.0
63.96250	1.4
71.27995	1.0
145.10580	100.0
146.10875	2.2
164.03081	3.0
165.03839	1.2
196.01967	1.8
277.16348	3.5
278.17096	1.3
289.84451	1.2
295.17465	2.2
298.92178	1.1
310.16144	4.4
334.24954	1.1
349.77441	1.1
353.10617	1.2
402.75323	1.1
439.17581	5.8
439.32294	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05254	0.2
53.20752	0.2
64.56622	0.2
69.94300	0.8
71.66847	0.2
73.02932	0.7
86.99798	0.2
98.21963	0.2
139.60579	0.2
439.32211	100.0
440.32544	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	439.322
Annotation	Larreagenin A
Peak:m/z	Relative Intensity
51.83080	0.5
55.01881	0.6
57.03453	25.3
61.98821	0.5
65.14867	0.5
69.38432	3.2
71.01389	2.8
73.02956	3.0
78.78841	0.5
89.32531	0.6
111.04536	1.1
123.08138	0.5
144.46552	0.5
147.35815	0.5
215.45067	0.7
301.40021	0.6
307.24176	2.7
307.88049	0.6
321.25992	1.1
367.26636	0.7
377.28537	1.2
379.29987	0.6
389.28629	2.9
391.30188	0.9
392.27216	20.1
393.27527	2.9
404.26694	0.6
407.29575	28.8
408.29953	3.9
417.27985	1.5
419.29724	3.7
420.29822	0.7
437.30856	0.7
439.32254	100.0
440.26724	1.0
440.32608	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	439.322
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40739	0.2
63.91871	0.2
69.17448	0.3
71.28497	0.4
71.69713	0.3
77.66486	0.3
79.55324	0.2
88.47805	0.2
158.03978	0.3
163.59317	0.2
191.83504	0.2
197.71158	0.3
202.98453	0.2
209.08148	0.3
231.39044	0.3
307.11819	0.3
377.28415	0.4
423.29172	0.3
439.32217	100.0
440.32532	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	439.3219
Annotation	Larreagenin A
Peak:m/z	Relative Intensity
75.67004	0.3
80.82990	0.3
87.33199	0.4
92.89768	0.4
94.77869	0.3
94.81971	0.3
103.20005	0.3
149.32504	0.3
177.12831	2.0
205.08730	0.9
206.09520	1.5
220.10950	0.4
221.11839	52.2
222.12169	2.8
235.13445	0.8
254.72714	0.3
261.23981	0.3
268.13193	1.2
340.98428	0.4
381.24283	1.6
439.32196	100.0
440.32507	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	439.322
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98386	1.0
63.77507	0.9
66.92020	0.9
69.74010	3.6
98.21858	1.3
126.58747	0.9
150.13258	1.0
244.42322	1.0
383.39557	1.0
391.30038	3.3
393.31760	5.4
410.14301	1.0
437.30719	1.3
439.32227	100.0
440.32587	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	439.3221
Annotation	Larreagenin A
Peak:m/z	Relative Intensity
53.02250	0.4
59.69114	0.4
62.68285	0.5
71.04957	0.7
74.94556	0.5
76.62996	0.4
96.81082	0.5
97.06602	1.4
104.83849	0.4
106.37835	0.5
124.95443	0.5
132.32854	0.5
134.93375	0.4
143.10858	0.5
145.03860	0.5
160.86963	0.4
182.80728	0.4
191.14484	1.0
202.02814	0.4
246.02946	0.5
348.92188	0.6
404.62540	0.5
421.31131	1.9
439.32199	100.0
440.32568	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	439.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35421	0.3
69.05589	3.1
79.13844	0.4
79.31741	0.4
80.44235	0.4
96.96046	0.5
141.09200	1.0
159.10292	6.7
267.77579	0.4
297.24368	14.2
298.24680	1.1
393.31720	0.9
439.32169	100.0
440.32489	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73856	0.5
57.03454	2.0
59.01387	0.6
64.43340	0.5
66.91416	0.6
69.03447	1.8
69.13961	3.8
69.14359	1.1
71.01397	0.9
79.01918	0.8
81.03474	1.6
83.01393	1.8
93.03489	0.6
95.01406	1.1
95.05035	1.3
97.02957	4.5
106.41782	0.5
107.01390	2.2
109.02956	11.7
111.00896	0.9
114.45119	0.5
119.03500	0.5
121.02972	1.6
123.00899	1.6
123.04541	7.1
124.01648	0.6
125.02457	68.6
126.02780	1.8
135.04536	0.9
136.98863	0.5
137.02460	8.5
138.03201	0.7
139.00340	0.9
139.04022	2.1
140.01192	1.4
145.02988	2.4
149.02484	2.5
150.03238	1.4
151.04013	4.6
155.52353	0.5
159.04555	2.4
161.02449	0.9
161.06062	2.7
162.03459	0.5
163.04082	0.5
164.01151	1.0
165.01927	2.3
166.99890	1.6
167.03479	0.8
168.00679	1.8
169.01437	100.0
170.01765	2.7
173.05963	0.6
175.04086	0.9
175.07620	0.7
179.03499	1.8
185.06155	0.5
187.04056	2.4
188.04803	1.4
193.01413	5.5
194.01717	0.7
201.05618	0.9
202.06433	1.1
203.07150	5.7
205.01442	0.7
205.05063	2.8
221.08150	1.2
225.05693	0.5
227.07106	1.3
245.08138	6.3
246.08533	0.6
253.05167	0.7
259.06119	1.5
271.06149	4.0
287.05637	1.3
289.07202	37.3
290.07581	1.9
303.05130	2.0
320.99005	0.5
331.04636	2.1
441.08490	5.3
442.08197	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.083
Annotation	Catechin 4'-O-gallate
Peak:m/z	Relative Intensity
55.70193	0.6
56.47607	0.6
57.03458	3.9
59.01376	1.5
69.03435	0.7
71.01381	1.1
72.63493	0.5
72.99303	0.9
78.27334	0.5
79.95753	0.8
81.03464	2.7
83.01394	3.9
85.02947	0.9
93.03463	2.9
95.01389	1.6
95.05025	4.2
96.96021	20.8
97.02962	6.4
101.02446	0.6
108.02196	2.8
109.02964	28.0
110.03283	1.1
111.04494	0.6
114.03938	0.6
118.08504	0.6
121.02974	3.0
122.03751	0.9
123.00919	1.0
123.04538	16.1
123.08196	0.8
124.01683	1.1
124.04822	1.0
125.02461	31.2
126.02792	1.6
135.04596	2.6
135.71452	0.5
137.02449	15.1
138.03246	1.2
139.00319	0.7
139.04019	5.1
145.02969	2.0
146.03764	1.2
149.02457	5.9
150.03217	1.0
151.04022	14.6
152.01157	2.1
153.01961	3.9
157.06618	0.7
159.04532	3.4
160.05327	1.6
161.02466	3.2
161.06073	4.8
162.03252	1.8
163.04050	1.3
164.01172	3.5
165.01968	5.7
167.03458	3.5
169.01399	2.0
173.02449	0.6
173.06110	1.3
174.03223	0.7
175.04045	3.0
175.07631	1.6
177.01929	2.0
177.05632	0.7
178.02219	0.5
179.03519	7.3
183.02992	0.7
183.04515	0.6
185.06104	1.4
187.04010	6.3
188.04857	3.3
195.06508	0.6
199.07590	1.4
201.05609	1.0
202.06380	2.8
203.03481	0.6
203.07149	15.6
204.07518	0.9
205.03253	1.1
205.05052	9.0
206.05482	0.6
212.04893	1.1
217.04942	0.7
217.08601	0.8
219.10353	0.6
221.08234	4.1
227.07100	3.0
230.05974	1.2
231.03009	1.0
237.09198	1.2
237.11324	1.3
243.02980	0.7
243.06659	1.2
245.08191	20.9
246.08577	1.2
247.06219	1.8
249.13278	0.7
253.08705	1.7
255.02977	0.7
271.06116	1.8
281.08258	1.1
289.07205	100.0
290.07553	7.6
297.04147	0.7
299.09235	0.7
299.99045	1.0
300.99847	1.4
303.05139	3.1
315.05167	0.8
315.08707	5.1
343.08130	3.3
353.03003	0.7
361.05255	0.9
361.09317	11.2
362.09546	0.7
379.00998	0.7
395.18918	0.6
397.02118	1.5
397.11801	1.0
441.09079	14.8
442.09109	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0952
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22263	0.8
57.03451	0.9
71.29101	1.2
71.37200	0.7
73.02999	0.9
79.65024	0.9
79.95720	1.8
96.96046	2.4
103.47464	0.8
109.02968	1.2
121.02892	1.2
123.00865	1.4
125.02457	9.3
137.02469	1.2
141.23566	0.8
151.00357	0.8
151.04054	1.3
153.02008	1.6
159.04524	6.3
161.02477	1.7
169.01428	5.1
173.06081	2.0
175.07712	2.5
177.01933	1.0
181.06607	1.0
199.07788	1.0
200.66554	0.8
201.05608	7.0
225.05583	2.2
237.98560	1.3
243.06627	100.0
244.06989	5.7
255.32132	0.8
266.56711	0.8
289.07217	1.6
313.05905	1.2
405.12073	7.0
423.07230	1.6
441.10306	9.7
442.10794	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12902	1.3
55.01874	2.4
56.37866	1.2
56.99528	1.3
57.03437	1.8
59.01381	6.9
63.16650	1.3
68.99834	1.9
69.56149	2.9
69.56560	3.5
71.01389	13.1
72.99317	2.8
73.02937	7.1
75.00830	1.5
75.02578	1.3
78.95912	9.1
80.96326	1.9
81.24569	1.2
83.01392	3.3
85.01028	5.0
85.02957	4.5
87.00871	9.5
89.02469	1.8
96.96969	18.0
97.02983	3.7
98.97391	4.3
99.00868	3.7
99.02610	4.1
99.99738	1.3
105.01912	2.8
111.00883	22.6
112.01204	1.4
112.98811	9.1
113.00531	2.0
115.02092	3.5
120.99731	1.4
129.01950	3.3
141.03641	1.4
145.01472	7.2
171.01074	4.9
173.02571	2.7
177.04185	2.0
187.94771	1.3
203.03716	6.0
221.04655	3.6
235.06290	3.6
263.05789	18.3
289.39526	1.4
293.06967	2.5
361.25986	1.3
381.08606	1.3
409.07913	16.8
410.08505	1.6
441.10611	100.0
442.10986	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	441.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45422	11.6
59.01371	86.7
61.98809	20.7
67.33053	15.3
69.60449	59.9
71.01382	55.6
79.95211	13.7
85.02939	16.3
89.02441	100.0
96.96979	13.9
98.21812	18.7
101.02446	39.6
113.02458	25.1
119.03515	32.3
125.02458	16.0
128.69565	14.8
143.03537	19.6
177.01967	86.7
179.05598	45.3
192.04248	43.1
252.18471	16.0
279.08752	14.5
340.97421	12.2
387.12885	47.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	8.6
59.01374	47.8
59.33978	7.2
59.93463	8.5
61.98837	51.9
64.68286	6.7
66.38198	8.3
71.01379	66.3
71.28349	7.0
71.28759	13.1
73.02943	24.0
75.76054	7.5
78.95921	10.4
83.01394	16.6
85.02950	24.8
87.00873	25.8
89.02452	27.7
93.03452	7.9
95.01384	14.4
96.96005	8.2
99.92567	7.2
101.02439	60.1
108.02161	10.3
109.02979	17.3
113.02489	21.8
118.33659	8.1
119.03501	12.8
121.02946	12.7
123.04495	13.2
125.02427	58.7
137.02403	9.7
149.02538	11.9
151.04021	9.9
161.04573	26.7
163.00320	7.9
163.04056	44.0
164.04832	91.4
167.03561	11.5
169.01424	16.2
175.04062	11.8
177.01949	15.4
178.06378	15.0
179.05687	14.0
179.07111	100.0
180.06686	27.7
211.02437	10.0
248.30844	8.5
255.03075	17.1
271.04770	10.2
279.14612	10.0
300.99863	9.5
363.10577	9.8
381.10968	12.9
423.07455	28.5
424.06595	8.4
441.10333	14.5
441.19601	47.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03764	0.6
57.03451	0.7
59.82770	0.6
65.00320	0.5
70.45666	1.7
77.75854	0.5
80.19727	0.6
90.72893	0.7
111.04532	2.1
111.08116	0.8
125.09707	1.7
138.67174	0.5
151.07796	0.6
179.07109	0.9
181.08728	1.3
182.34358	0.6
188.64543	0.7
191.03491	1.4
206.08282	1.2
209.08260	0.8
228.04285	2.7
239.03580	1.3
251.07135	0.8
256.03842	1.5
265.08698	0.6
280.07343	3.0
283.02499	7.4
284.03217	1.8
285.04282	0.6
307.06332	0.9
308.06812	1.2
309.00317	1.0
309.07663	5.0
317.04758	0.8
317.08301	0.9
321.03992	1.3
321.07675	0.7
327.08768	4.1
333.11371	1.1
335.05658	6.0
335.12799	1.2
336.05963	1.1
346.08411	1.4
353.06693	6.5
353.13840	0.9
361.10840	13.1
362.11093	1.1
379.11893	30.4
380.12326	3.0
397.12918	100.0
398.13229	11.7
423.28378	0.9
441.22675	3.6
441.28580	5.4
441.33981	3.1
442.22421	1.8
457.75415	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
69.05573	4.8
79.95747	51.7
80.41387	0.6
80.96513	2.0
97.20769	0.7
121.02967	12.0
134.03755	1.0
135.04543	1.2
146.03790	0.8
149.06131	1.0
163.07654	2.0
164.04781	1.8
166.06364	100.0
167.06712	4.1
179.07117	2.6
181.08720	74.2
182.09030	4.5
206.37242	0.7
229.01822	2.1
243.03293	6.9
259.02725	1.7
360.43359	0.8
441.12256	98.4
442.12540	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	441.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47443	0.5
57.03442	0.9
59.01363	1.9
65.00307	1.5
65.85478	0.4
71.28207	0.6
73.02934	0.6
81.03460	8.7
83.01390	2.4
83.05027	0.4
85.02908	0.4
85.06612	0.7
87.04506	1.1
93.03422	0.6
97.02947	0.6
97.06594	0.9
99.08170	1.0
101.06081	1.5
107.01380	1.0
109.06616	2.2
111.04531	4.9
116.08467	0.4
116.71996	0.4
123.08181	3.6
125.02464	10.0
125.06097	4.9
125.09599	0.4
127.07622	0.4
133.06581	1.0
135.04517	0.4
136.05289	1.8
137.02446	0.7
141.09213	0.8
147.08199	1.3
149.02460	1.1
149.06102	0.4
151.00372	1.9
151.07668	19.6
152.01161	0.5
152.07979	1.0
161.02495	0.5
165.09221	25.3
166.09579	1.0
167.03500	0.4
177.05632	0.9
191.07159	2.1
195.06650	75.8
196.07019	3.6
209.08214	100.0
210.08565	4.8
219.06557	0.7
233.08211	0.5
237.07735	0.9
251.09320	1.3
370.97754	0.4
413.30637	1.0
441.30267	20.4
442.30658	2.8
445.15152	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.8
59.01100	0.5
59.01387	7.7
66.01486	0.3
68.96185	0.3
69.03457	0.7
69.66010	1.7
71.01378	1.7
73.02943	0.7
79.95753	4.5
81.95321	3.8
81.96101	0.4
83.01397	0.7
85.02939	0.5
85.83546	0.4
91.05560	0.6
93.03470	1.1
95.53220	0.3
96.96021	100.0
97.02949	0.7
97.95951	1.3
98.21857	0.7
98.95603	35.7
98.96432	6.1
101.02461	0.7
103.04050	0.5
107.05057	2.7
108.02193	0.4
108.05402	0.5
109.02979	1.2
111.00893	0.4
111.21515	0.4
114.43052	0.3
121.02964	1.4
123.04523	0.6
125.02469	4.2
126.02784	0.6
133.06584	1.2
133.27289	0.4
134.03754	1.0
135.04543	9.5
136.04872	1.5
137.02448	1.7
137.05125	0.8
139.04053	0.5
141.09265	0.5
145.02971	0.8
146.03700	0.9
147.04446	0.4
149.06081	0.8
150.03244	0.4
150.06490	0.4
151.04056	0.8
153.01936	1.5
155.10786	0.4
157.11288	0.4
161.02496	0.5
164.04817	0.6
166.06358	1.9
169.01344	1.9
171.10371	0.4
179.07117	1.5
181.05086	0.6
181.08737	1.3
195.03049	0.5
195.06619	1.0
201.11385	0.7
238.72162	0.4
241.18127	0.5
259.02817	0.8
260.02985	0.5
261.02441	1.8
263.20169	0.4
269.08264	1.1
281.21317	0.5
283.19275	0.6
289.07278	1.3
299.09244	0.4
299.22305	3.0
299.99234	0.8
301.20209	7.8
302.20535	0.7
314.11810	0.6
315.12164	0.4
316.12106	0.5
317.17365	0.4
325.20261	1.3
343.21353	2.5
361.22363	14.5
362.22662	1.5
379.18057	1.0
381.15933	0.6
441.10977	19.1
441.18082	45.2
442.11475	1.3
442.18423	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	441.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.8
59.01100	0.5
59.01387	7.7
66.01486	0.3
68.96185	0.3
69.03457	0.7
69.66010	1.7
71.01378	1.7
73.02943	0.7
79.95753	4.5
81.95321	3.8
81.96101	0.4
83.01397	0.7
85.02939	0.5
85.83546	0.4
91.05560	0.6
93.03470	1.1
95.53220	0.3
96.96021	100.0
97.02949	0.7
97.95951	1.3
98.21857	0.7
98.95603	35.7
98.96432	6.1
101.02461	0.7
103.04050	0.5
107.05057	2.7
108.02193	0.4
108.05402	0.5
109.02979	1.2
111.00893	0.4
111.21515	0.4
114.43052	0.3
121.02964	1.4
123.04523	0.6
125.02469	4.2
126.02784	0.6
133.06584	1.2
133.27289	0.4
134.03754	1.0
135.04543	9.5
136.04872	1.5
137.02448	1.7
137.05125	0.8
139.04053	0.5
141.09265	0.5
145.02971	0.8
146.03700	0.9
147.04446	0.4
149.06081	0.8
150.03244	0.4
150.06490	0.4
151.04056	0.8
153.01936	1.5
155.10786	0.4
157.11288	0.4
161.02496	0.5
164.04817	0.6
166.06358	1.9
169.01344	1.9
171.10371	0.4
179.07117	1.5
181.05086	0.6
181.08737	1.3
195.03049	0.5
195.06619	1.0
201.11385	0.7
238.72162	0.4
241.18127	0.5
259.02817	0.8
260.02985	0.5
261.02441	1.8
263.20169	0.4
269.08264	1.1
281.21317	0.5
283.19275	0.6
289.07278	1.3
299.09244	0.4
299.22305	3.0
299.99234	0.8
301.20209	7.8
302.20535	0.7
314.11810	0.6
315.12164	0.4
316.12106	0.5
317.17365	0.4
325.20261	1.3
343.21353	2.5
361.22363	14.5
362.22662	1.5
379.18057	1.0
381.15933	0.6
441.10977	19.1
441.18082	45.2
442.11475	1.3
442.18423	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	441.192
Annotation	Exiguaflavanone M
Peak:m/z	Relative Intensity
53.76513	0.6
58.05996	0.6
58.31989	0.6
62.35795	0.5
70.45050	0.8
78.81535	0.6
87.64409	0.6
98.22574	1.2
102.65685	0.8
111.04561	1.2
125.06099	0.7
142.20534	0.6
165.79372	0.6
181.08749	1.1
182.56377	0.7
197.30965	0.7
207.06606	0.9
230.05865	0.6
270.05417	0.9
284.06992	1.4
297.04123	0.8
298.04791	1.3
313.07205	1.4
322.08102	0.8
329.21436	1.5
337.10849	2.8
339.05084	1.8
340.09427	1.8
355.11969	5.8
356.11868	0.9
365.10226	9.4
366.10773	0.8
369.13452	2.1
381.09595	0.7
383.11371	96.5
384.11700	11.6
441.19156	100.0
441.33038	9.9
442.19485	13.8
442.34061	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1922
Annotation	Exiguaflavanone M
Peak:m/z	Relative Intensity
69.00917	6.7
69.01332	2.7
111.04519	2.5
149.36176	1.1
149.87689	1.0
160.79576	1.1
165.01900	2.6
166.02744	13.7
179.10835	6.6
181.08728	2.4
195.06575	3.4
205.05000	1.7
206.12860	1.1
208.97572	3.1
222.08994	9.7
223.09776	19.6
225.00722	4.3
270.05273	1.9
284.06998	3.1
285.07724	2.0
293.07086	1.7
298.04745	1.4
299.09085	2.9
311.05444	1.2
312.06421	2.0
312.09851	1.1
313.14520	1.2
313.17792	1.2
325.07092	2.5
339.08850	1.1
351.12378	2.8
355.11838	9.9
368.08920	1.4
369.13391	22.8
370.13889	2.7
381.09848	22.3
382.09995	2.0
383.11313	100.0
383.15253	31.6
384.11383	10.8
384.15543	2.8
397.19791	1.4
425.07687	9.1
441.18201	78.0
441.24738	10.6
441.33859	4.2
442.18741	12.7
442.34323	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38379	2.1
55.01870	4.5
57.03430	2.3
59.01381	72.9
69.37512	11.6
69.37925	4.1
71.01388	33.4
72.99303	2.4
73.02953	18.1
75.04564	2.2
83.01399	15.7
85.02965	19.6
89.02443	3.8
95.01418	2.7
98.22524	2.8
99.00898	3.9
101.02456	50.6
113.02468	15.5
125.02477	4.8
159.03087	3.1
161.04562	15.2
171.61070	2.1
209.26979	2.2
235.11885	100.0
236.12216	4.5
262.04297	2.1
279.10901	2.1
381.17685	97.1
382.17987	7.9
450.09015	2.4
450.88022	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	441.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79580	4.1
59.01386	40.4
67.50777	4.9
69.42120	24.0
71.01394	50.4
72.99302	5.8
73.02966	20.4
75.00877	4.1
83.01405	13.0
83.29816	4.2
85.02954	23.0
87.00877	5.7
89.02444	5.5
96.96034	10.7
97.02958	5.2
98.22491	9.7
99.00896	9.5
101.02448	52.1
108.02169	7.1
113.02448	16.1
123.04535	4.7
125.02460	9.9
135.03015	5.0
161.04530	17.9
189.19937	4.1
201.93317	4.5
249.13454	100.0
278.48749	6.0
285.74393	4.4
289.07272	8.2
335.35486	4.4
361.09207	9.7
381.17667	46.5
395.19290	36.2
396.19635	6.0
409.44937	4.2
441.13940	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	441.2284
Annotation	Docosyltrichlorosilane
Peak:m/z	Relative Intensity
71.29757	4.4
71.30157	5.2
77.60963	4.8
96.96055	6.1
134.65302	4.9
140.38701	5.3
147.82280	4.4
175.19661	5.0
178.82527	4.1
187.04807	5.4
228.26862	4.6
335.75583	5.8
369.13455	22.4
383.10556	8.9
383.15036	100.0
384.15353	9.9
441.22797	85.1
441.32584	7.4
442.22998	14.8
448.76221	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	441.2284
Annotation	Docosyltrichlorosilane
Peak:m/z	Relative Intensity
55.25709	0.3
55.65595	0.4
56.21196	0.3
56.89317	0.3
61.47507	0.3
66.41178	0.3
70.58847	0.4
70.92551	0.8
72.47266	0.4
100.69572	0.5
109.02934	1.4
181.08650	1.5
193.08678	4.5
256.07230	0.5
270.05353	0.7
272.78082	0.4
284.06833	0.5
285.07733	5.6
286.08014	0.7
287.12704	0.7
298.01178	0.5
311.05627	3.3
320.81262	0.4
325.10941	0.6
325.14465	0.5
326.11508	1.4
327.12299	0.7
329.13812	0.8
351.12454	0.6
354.11249	1.9
357.17188	1.2
369.13425	69.2
370.13696	6.8
383.14502	0.5
441.22821	100.0
442.23138	12.1
442.29257	0.5
457.11734	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2286
Annotation	Docosyltrichlorosilane
Peak:m/z	Relative Intensity
62.87960	0.3
65.57689	0.3
77.32819	0.4
80.61613	0.4
100.69553	0.6
103.01959	0.5
113.28868	0.4
270.05368	1.6
284.07016	0.6
285.07755	2.4
297.04095	0.5
298.04834	1.8
298.08551	0.5
299.09415	2.0
311.05640	3.2
325.14508	0.5
326.11758	0.4
336.09973	0.9
351.12396	5.7
354.11050	1.3
365.14102	0.5
369.13440	76.8
370.13782	8.0
383.15015	23.7
384.15543	2.7
441.22836	100.0
442.23199	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	441.2284
Annotation	Docosyltrichlorosilane
Peak:m/z	Relative Intensity
52.79626	0.2
60.83069	0.2
73.31901	0.2
76.28866	0.2
94.56274	0.2
96.96012	0.2
98.22601	0.5
100.69559	0.6
109.02944	1.6
111.04482	0.4
113.09686	0.5
119.81876	0.2
132.07660	0.2
147.08131	0.7
161.99390	0.2
178.06265	0.4
181.08731	1.9
184.58453	0.3
193.08713	6.6
205.08749	0.3
222.08900	0.2
229.05104	0.5
240.68179	0.3
241.04851	0.3
241.08749	0.5
243.06517	0.4
256.07413	2.0
257.07980	0.3
261.14874	0.3
270.05310	0.4
284.06937	3.1
285.07706	7.2
285.10904	0.4
286.08072	0.6
287.12817	0.4
296.03287	0.3
297.03802	0.3
299.09341	0.4
301.14331	0.5
311.05612	3.1
311.09061	0.4
312.06070	0.4
313.10959	0.2
323.12952	0.4
325.10806	0.9
325.14459	1.5
326.11481	2.0
327.12225	0.3
329.13919	0.4
330.27884	0.3
339.08792	0.4
341.14041	0.3
351.12424	1.2
353.10602	0.4
354.11078	3.1
355.11563	0.5
357.17062	1.3
358.17200	0.3
369.13422	99.9
370.13760	10.7
370.18475	0.5
383.15082	0.6
384.15369	0.3
441.22827	100.0
441.33551	7.2
442.23190	14.0
442.34009	1.0
446.88452	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24099	0.7
54.41241	0.6
54.86365	0.7
65.89299	0.6
66.36290	0.6
69.39632	2.5
69.40042	1.6
79.91369	0.6
85.62036	0.6
98.22499	1.3
123.27838	0.6
147.96942	0.6
181.08766	1.0
193.08720	1.9
235.09772	0.9
281.08112	0.8
284.06976	1.5
298.08545	1.6
299.09158	5.3
325.07367	0.8
325.14444	1.3
326.11398	0.9
351.12405	1.5
353.10315	1.7
354.11063	2.1
369.13419	72.1
370.13748	7.6
371.18597	1.2
383.14996	25.5
384.15381	2.6
387.86389	0.7
393.52551	0.8
411.27606	0.7
441.22821	100.0
442.23123	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	441.2649
Annotation	Chabrolohydroxybenzoquinone C
Peak:m/z	Relative Intensity
57.03445	1.7
71.28354	1.9
77.79892	1.1
81.09280	1.5
111.04504	1.5
125.06078	3.5
133.47412	1.1
137.09743	8.1
145.06616	1.2
166.02686	4.7
179.03554	1.3
179.10715	2.0
180.04291	8.1
181.08652	1.4
193.08589	1.2
203.14436	1.5
205.08701	1.4
210.15102	1.3
219.10596	1.3
221.08163	2.5
222.08986	30.1
223.09523	4.0
241.16064	1.8
263.12848	2.3
325.07233	1.7
357.20648	2.8
365.13736	1.6
369.13443	13.7
379.26465	4.8
383.15057	35.5
384.15359	3.8
397.27478	3.8
423.25497	10.6
441.21613	7.9
441.27148	100.0
441.33319	5.0
442.27310	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	441.2648
Annotation	Stypotriolaldehyde
Peak:m/z	Relative Intensity
57.03445	1.2
57.95034	0.3
59.10963	0.3
69.62975	0.3
70.74692	0.3
79.01876	0.6
97.02923	0.5
97.33218	0.4
99.08140	0.5
109.06630	0.4
123.04527	0.5
125.06091	2.6
136.22522	0.4
137.09720	4.8
138.03239	1.1
143.10823	0.4
151.04041	1.1
164.08372	0.3
165.01962	0.8
166.02724	6.8
166.66116	0.4
179.10812	0.8
180.04311	1.1
217.16035	0.7
221.08368	0.6
222.08972	8.4
223.09729	3.3
233.88524	0.3
235.09778	5.5
241.16077	0.7
259.17099	0.7
275.13043	0.4
284.47681	0.4
313.21741	0.5
315.19696	1.0
339.19666	0.7
357.20688	2.3
369.13550	1.0
373.13007	0.3
379.26337	1.8
383.14948	1.8
395.26028	0.7
397.27338	1.9
423.25473	3.3
424.26590	0.4
425.07837	0.8
441.26559	100.0
441.33563	7.4
442.26935	13.4
442.33932	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	11.4
59.01392	3.2
83.05026	18.1
96.65574	2.4
97.06631	5.1
107.02734	2.6
108.44160	2.2
109.06618	7.0
111.08172	82.3
112.08488	2.5
125.09740	19.4
129.09224	4.4
134.51242	2.4
145.00276	2.4
159.10284	5.2
173.08223	24.4
182.74413	2.7
187.09744	2.3
237.18680	2.7
285.20755	30.1
313.24097	4.0
367.22992	12.8
371.97504	2.4
379.28583	2.5
409.31271	2.8
411.38086	2.3
423.27759	6.8
423.32953	9.0
441.28555	100.0
441.33856	54.2
442.28833	10.8
442.34177	7.6
457.77588	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	441.3012
Annotation	Triptocalline A
Peak:m/z	Relative Intensity
59.01389	0.7
66.10102	0.7
69.17715	3.5
69.18122	1.7
71.69780	0.6
80.58253	0.8
81.03420	0.8
83.04983	1.2
88.57663	0.8
95.21408	0.6
110.96931	0.7
184.25862	0.8
197.94426	0.7
339.26923	1.2
367.22699	1.8
395.25769	1.0
395.29648	10.4
396.30090	1.1
423.32803	5.0
425.30368	0.9
439.31821	1.0
441.29919	100.0
442.30188	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	441.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32000	0.6
63.28873	0.7
67.86063	0.9
69.05772	3.3
69.06184	2.0
71.04992	0.9
71.29830	0.7
83.05003	0.7
104.24871	0.6
111.79342	0.6
175.11282	1.1
220.33324	0.7
235.76892	0.8
246.29062	0.8
337.24838	0.8
339.26758	1.4
367.22873	1.3
393.28049	1.7
395.24786	1.2
395.29465	9.3
396.29825	1.3
423.32773	3.7
424.32953	1.1
425.30591	1.0
439.32138	0.7
441.29926	100.0
442.30203	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	441.3012
Annotation	Triptocalline A
Peak:m/z	Relative Intensity
54.08350	0.4
77.30606	0.4
97.62088	0.4
98.22547	1.8
106.11426	0.4
106.95589	0.4
171.10277	4.0
173.11754	0.8
173.23407	0.5
202.52576	0.4
204.41905	0.4
285.20901	0.6
287.22266	2.1
397.31061	6.1
398.31464	0.9
439.31958	0.7
441.29938	100.0
442.30322	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	441.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.4
57.90857	1.3
59.25800	1.2
69.09808	5.7
69.10237	4.2
70.59717	1.1
71.05021	1.8
83.05052	1.6
97.06599	3.1
99.08205	1.4
111.08192	2.0
115.07703	3.0
125.09785	1.8
127.07729	3.6
127.11361	3.0
128.84970	1.1
139.11346	2.4
145.08716	8.4
153.67090	1.1
155.10873	2.4
155.14458	2.8
156.21182	1.3
159.10286	2.7
171.10371	5.1
173.11838	57.4
174.12236	1.5
221.19164	2.4
263.16669	2.4
267.19577	1.4
285.20709	69.6
286.21036	6.1
295.22974	2.0
305.10736	1.5
313.23868	31.8
314.24231	1.6
356.19000	2.2
369.30292	1.2
397.31451	3.3
405.26706	1.6
407.29645	1.3
423.27783	1.9
423.33197	3.3
439.32239	2.7
440.32092	1.4
441.32581	100.0
442.33194	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	441.3222
Annotation	oscr#33
Peak:m/z	Relative Intensity
57.03426	0.6
67.27060	0.6
71.05000	0.6
84.51437	0.7
96.96017	2.9
127.11296	1.6
145.01729	0.6
155.10799	1.2
173.11832	29.8
174.12262	1.0
175.74742	0.6
183.65163	0.6
222.45081	0.6
223.20679	49.8
224.20979	2.0
224.68179	0.6
241.21773	1.2
258.35657	0.6
267.19659	25.4
268.20050	2.3
285.20706	10.0
374.01337	0.7
379.32248	2.9
423.31134	4.4
441.32224	100.0
442.32562	11.3
454.63327	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27359	0.7
57.03454	4.6
69.03484	0.5
71.20154	0.6
73.72478	0.5
79.95753	0.9
80.02650	0.7
83.05009	1.1
95.05029	1.3
96.96016	4.4
97.06597	15.2
115.34109	0.5
123.08179	9.3
124.08460	0.8
125.09736	89.8
126.10061	2.8
138.71344	0.4
142.59213	0.5
143.10782	1.9
159.10275	0.9
168.27266	0.5
169.08711	1.7
187.09775	26.3
188.10057	1.0
225.22130	0.9
237.22159	0.8
253.21770	1.4
271.22818	27.9
272.23138	2.4
281.21313	0.6
340.80109	0.6
369.13474	2.0
379.32196	2.7
423.31158	2.7
441.32208	100.0
442.32544	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	441.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98929	2.3
55.04933	2.3
58.25561	2.4
98.21774	4.7
125.06171	2.2
159.31361	2.5
166.02766	8.2
179.24333	2.4
195.06659	3.4
205.05008	3.6
210.15045	3.2
222.09059	13.0
223.09654	13.1
232.99150	3.1
284.07101	3.2
311.05814	3.0
325.07285	3.7
350.11624	3.4
351.12549	2.6
365.13980	6.2
369.13400	30.7
370.13565	4.7
383.15079	100.0
384.15375	10.3
412.53589	3.0
423.32675	7.4
441.21918	76.5
441.27411	24.2
441.33749	58.9
442.22641	16.7
442.34171	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	441.3375
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
50.73655	0.9
54.74826	1.1
57.03455	1.1
59.01377	1.6
66.48101	1.1
69.06310	3.1
69.06725	6.5
71.05029	4.6
111.08195	4.5
125.09660	1.1
127.11361	1.4
137.09796	3.8
171.10236	5.5
256.73871	1.1
285.20987	1.6
301.21832	3.4
343.26733	1.3
369.28366	2.0
395.29871	1.3
397.31213	3.1
407.30090	1.2
413.34363	4.7
423.33127	3.2
425.30582	12.4
439.32175	4.9
441.33972	100.0
442.34344	15.3
454.92593	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04010	1.9
69.55132	7.3
69.55529	4.9
70.91103	2.1
85.62950	2.3
92.58880	2.2
96.96062	3.7
133.52792	2.6
162.05786	2.2
233.42157	2.3
299.25861	6.6
321.33536	2.8
365.75677	3.0
441.33755	100.0
442.34070	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	441.3377
Annotation	5alpha,8alpha-epidioxysterol
Peak:m/z	Relative Intensity
61.98848	0.4
64.64971	0.3
69.82483	0.5
69.82831	1.1
88.41422	0.3
111.08178	0.5
115.40827	0.4
139.89565	0.3
149.09842	0.5
245.51846	0.3
395.29416	0.7
423.32925	4.0
425.30853	0.5
441.33905	100.0
442.34305	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	441.3376
Annotation	5alpha,8alpha-epidioxysterol
Peak:m/z	Relative Intensity
69.67863	2.7
96.62321	0.8
98.21824	0.9
137.33842	0.8
154.86148	0.9
192.51778	0.7
199.91878	0.8
441.33771	100.0
442.34058	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	441.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
60.54430	0.7
62.00965	0.7
69.75176	2.7
77.53851	0.7
96.96009	1.9
115.92069	0.9
116.92858	0.9
135.66359	0.7
189.12845	1.8
191.14381	2.0
211.73827	0.9
340.31882	0.8
369.13409	3.4
423.32718	2.3
441.23630	3.3
441.33768	100.0
442.34137	15.2
443.48376	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42480	0.3
60.85439	0.3
69.34486	2.0
70.42662	0.3
71.47260	0.3
83.14780	0.3
96.96012	0.7
97.40717	0.3
111.04507	1.0
113.02518	0.4
123.83899	0.4
125.06101	0.4
165.01910	0.3
176.87517	0.3
195.06578	0.7
209.08127	0.6
221.08067	0.5
223.09856	0.6
233.08202	0.4
269.16098	0.4
305.06760	0.4
355.12003	0.5
369.13510	3.3
422.65170	0.4
441.23083	7.2
441.33768	100.0
442.23575	0.9
442.34125	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	442.0784
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36436	0.3
61.98835	100.0
63.15736	0.3
69.14154	1.3
69.14563	0.6
70.75899	0.3
71.86860	0.3
84.39314	0.3
84.60909	0.2
90.05082	0.3
93.03488	0.4
98.22540	0.6
125.02503	0.5
135.04547	1.5
136.01709	1.2
137.02464	2.7
161.02478	0.3
169.01498	0.3
177.05646	0.5
201.05626	0.4
243.06622	4.7
243.08795	0.3
314.04623	0.3
443.15118	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61589	13.4
57.03460	89.7
59.01379	78.8
71.01377	17.9
79.95735	23.4
81.22814	15.2
84.29623	14.0
89.28793	15.0
96.96024	100.0
97.49805	17.7
99.04531	90.0
101.02453	52.7
109.02950	20.4
125.02453	30.7
156.20549	15.5
165.01970	18.8
169.01358	16.1
197.04556	64.8
198.04930	44.6
225.04070	21.3
226.04309	31.7
227.04581	17.0
230.87901	16.7
299.14999	42.4
309.16977	14.7
368.00601	16.7
414.54089	18.8
421.90714	16.3
442.08881	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	442.9712
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01793	2.3
59.01362	10.1
61.98792	2.7
69.66403	10.1
83.05018	2.5
97.06610	2.3
99.92590	49.1
115.92077	9.6
116.92869	73.9
131.99174	2.3
142.21474	2.1
142.22836	2.7
162.03212	11.4
173.61200	2.4
177.05542	11.3
193.08760	2.8
207.06592	4.8
254.99306	11.2
257.00955	5.4
267.99844	3.1
282.98822	24.4
283.99548	5.2
285.00616	3.8
297.00473	6.6
297.97510	6.2
298.01190	11.3
298.92645	3.3
310.98380	7.7
311.98837	5.7
312.99887	8.8
314.00345	2.9
326.00671	5.6
327.01239	3.8
328.02173	8.0
340.93994	2.9
341.03052	8.4
343.04672	6.6
348.03830	2.6
353.91122	6.4
354.92026	13.6
355.26340	3.8
355.92563	3.3
362.04950	2.4
366.91858	2.4
367.92609	13.7
368.93494	18.9
381.90527	6.7
382.91190	11.2
383.91907	5.4
384.92935	3.2
395.92145	29.2
396.92920	49.4
397.93713	23.7
411.90631	3.8
411.95456	55.0
412.96255	40.9
413.96518	6.2
427.94763	7.2
442.97137	100.0
443.13391	3.0
443.22882	4.7
443.32074	4.5
443.97403	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	443.135
Annotation	(1S,2R,7aR,13aR)-2,3,13,13a-Tetrahydro-1,2,7a-trihydroxy-9,10-dimethoxy-3,3-dimethyl-1H-bis[1]benzopyrano[3,4-b:6',5'-e]pyran-7(7aH)-one
Peak:m/z	Relative Intensity
53.72880	0.6
54.53215	0.6
55.21088	0.7
55.54606	0.7
57.03457	0.6
69.40460	1.8
69.40867	1.7
79.01845	1.0
86.37510	0.6
87.04528	1.1
95.48088	0.7
98.01323	0.7
109.02982	0.9
109.06586	0.8
111.04556	4.4
123.08168	1.9
139.04028	1.1
139.07666	0.9
141.68211	0.6
145.02977	5.2
147.08151	0.8
165.01921	0.7
165.09207	1.5
179.07135	0.9
189.05565	1.0
200.82222	0.7
207.06642	5.1
209.08234	6.0
221.08160	1.5
224.06924	9.6
229.05013	1.0
233.04568	5.4
235.06129	4.2
243.06590	1.1
249.14977	0.9
251.12817	3.4
257.04568	1.3
258.05344	1.2
275.13040	1.4
285.04129	1.9
286.04837	10.7
287.05597	3.2
295.09897	0.8
297.24261	1.0
301.10822	0.9
311.05780	1.2
313.03613	2.7
314.04318	0.9
315.08740	0.9
329.10214	1.1
331.15598	2.0
339.08658	7.8
340.09351	1.2
357.09814	53.9
358.10132	5.4
370.13840	2.4
371.13980	3.5
373.16522	1.2
381.09521	0.8
385.09323	1.9
397.12701	0.9
399.22073	1.2
410.09949	2.5
425.12488	10.0
425.23550	1.8
426.13126	1.0
442.22989	1.2
443.13553	100.0
443.20490	6.6
443.24109	7.3
444.13895	10.7
444.25064	1.0
457.71225	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	3.2
61.98836	30.4
70.51653	2.2
70.51969	2.9
83.05022	2.5
97.06607	2.7
98.22475	1.9
99.92600	40.2
111.04583	2.0
111.37310	1.9
115.92088	34.9
116.92870	100.0
117.92883	3.7
125.09727	4.4
125.92831	1.8
127.65025	1.7
139.07626	5.1
141.09277	1.8
157.08716	3.2
158.27966	1.7
163.03072	1.7
171.10271	2.0
173.11807	2.7
243.03291	5.0
255.03128	4.6
256.04074	2.2
270.01981	2.1
329.23434	4.0
335.84503	1.8
387.25504	4.5
395.11987	2.0
397.27448	3.4
399.29184	3.7
413.12860	2.0
425.12814	16.6
439.10632	2.4
443.13858	53.2
443.27759	49.2
443.35287	4.5
444.14877	13.6
444.28302	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	443.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.0
57.03432	1.7
59.01139	1.1
59.01385	12.3
65.00330	1.2
69.28132	6.4
69.79620	1.2
71.01387	12.1
73.02931	4.4
74.36591	0.9
75.00849	1.1
75.55804	1.0
83.01372	3.4
85.02956	6.1
87.00875	2.0
89.02432	3.8
91.01891	2.5
93.03445	2.7
94.27309	1.0
95.01381	2.1
101.02446	10.2
107.01398	2.5
108.02147	1.5
109.02942	3.3
109.33154	1.2
111.00887	2.6
113.02459	4.2
119.01376	4.5
119.03490	1.1
121.02937	2.5
123.00869	3.1
123.04485	1.3
124.01677	3.6
125.02467	13.3
134.03729	1.4
135.04535	2.9
137.02440	4.4
138.77878	1.2
139.00356	2.6
139.04041	2.4
140.01161	2.0
147.00894	5.8
147.04559	1.3
149.02454	11.6
149.04305	3.4
151.00381	1.7
152.01181	3.3
153.01913	3.6
161.04549	4.3
162.03113	1.3
163.04010	4.1
164.04791	10.6
165.01917	2.5
165.05551	1.5
166.02704	1.3
167.03494	1.9
168.00626	8.0
169.01428	19.1
170.01772	1.4
175.00365	30.7
179.07074	1.2
181.05037	3.5
190.02733	85.0
191.03127	4.8
193.03246	2.1
205.05063	100.0
206.05370	4.2
208.03722	2.2
209.04529	3.1
211.02487	29.3
212.02911	1.3
223.06117	20.5
271.04587	55.1
272.04898	2.6
322.13077	1.3
331.06647	8.5
413.10880	2.4
428.13168	3.8
443.15506	96.1
444.15707	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	443.1712
Annotation	Aglacin D
Peak:m/z	Relative Intensity
57.03464	0.8
59.01391	1.6
62.27668	0.7
69.06748	5.2
69.07153	1.5
83.05040	1.2
85.02970	3.5
85.06583	2.0
87.04517	2.4
88.04025	0.8
88.53484	0.7
95.05051	1.6
97.02989	0.8
98.22527	2.0
105.03452	1.4
109.02969	2.3
109.06584	1.8
111.04530	75.5
112.04879	2.4
113.09730	2.0
121.02986	2.2
123.04510	2.7
123.08206	1.5
125.09748	0.9
129.05605	1.3
137.06084	1.0
139.04065	1.0
147.08160	2.6
149.02452	9.3
153.09213	1.0
163.07643	2.0
167.07149	2.2
173.08244	0.8
175.07674	3.5
179.07164	4.2
179.10759	1.9
181.08707	11.1
189.92740	0.8
191.07152	7.3
193.08716	2.4
197.08266	2.9
201.05571	1.1
207.06679	2.1
208.07431	2.1
209.08192	5.0
215.07143	1.7
217.08714	2.9
219.06630	33.9
220.07074	1.5
223.09781	18.6
224.10027	1.2
229.08699	3.5
230.09456	1.0
243.06740	1.0
243.10272	1.1
245.08217	0.9
245.11682	1.5
246.08998	0.9
257.08508	0.9
257.11798	0.9
260.06610	0.9
261.07733	1.5
269.11786	1.3
271.09976	1.6
271.13330	1.6
272.14148	3.0
273.07745	2.0
273.11557	1.0
274.08307	1.4
285.11423	1.8
285.14954	1.0
287.05634	1.3
287.12939	8.5
287.16458	3.3
288.13483	2.5
303.15906	1.5
313.10861	1.4
315.08923	1.6
329.13846	1.3
329.23346	1.5
331.11880	17.4
331.15625	4.8
332.12335	2.3
341.17664	1.2
355.11871	2.0
357.13538	1.3
358.14243	1.4
397.27237	1.3
399.17664	4.4
399.22299	1.7
401.19473	1.2
443.16629	100.0
443.30179	4.3
444.16846	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	443.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	2.0
58.00584	1.2
59.01387	35.5
69.16417	8.9
71.01389	25.3
73.02937	3.9
74.49495	1.1
83.01372	2.8
83.38927	1.1
85.02959	8.8
89.02457	16.1
95.01433	2.5
99.00906	1.7
101.02452	18.1
113.02449	10.2
119.03513	6.5
119.79535	1.2
159.24376	1.3
188.80124	1.3
189.12935	1.8
192.45656	1.2
279.12729	1.3
443.19235	100.0
444.19568	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	443.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23799	0.7
55.01878	1.6
57.03432	2.0
58.00606	1.5
59.01386	33.4
61.46680	0.6
62.75574	0.7
68.97868	3.7
68.98279	2.5
71.01385	25.8
72.99324	1.1
73.02943	5.0
75.78382	0.7
78.49659	0.8
79.82444	0.8
81.04186	0.8
83.01410	4.0
85.02954	10.0
86.44081	0.8
87.00889	1.5
89.02451	16.6
95.01376	2.1
99.00894	1.1
101.02448	19.3
101.18479	0.7
108.99526	0.7
111.04547	0.9
113.02451	11.2
119.03529	7.0
123.08147	0.8
127.00044	0.8
134.90666	0.7
143.03525	1.0
161.04547	1.4
169.03224	1.0
189.12834	1.2
201.57945	0.7
237.14943	1.1
281.13300	0.8
307.87497	0.8
350.01865	0.8
423.28015	0.8
443.19250	100.0
444.19595	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	443.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
60.49722	1.0
70.92671	2.1
78.53305	1.3
98.67485	1.0
108.02286	1.2
109.02958	41.9
110.03254	1.5
111.04539	7.8
113.09712	4.9
123.08134	2.4
126.99337	1.0
128.82335	1.0
135.00908	1.4
148.05272	1.0
163.07591	2.0
165.09201	2.8
177.05502	1.1
179.07150	100.0
180.07451	5.2
181.08728	18.8
182.05685	2.1
182.08713	1.0
197.08049	1.3
197.31764	1.2
203.82877	1.1
207.06592	6.5
208.07263	1.0
209.08238	5.6
211.62459	1.1
215.10695	2.1
230.13077	8.0
233.11702	2.1
235.13284	3.6
245.15474	12.4
245.86472	1.0
247.09671	3.1
255.06662	1.6
282.12344	1.1
287.16336	1.9
297.14841	2.2
311.09174	2.8
323.12897	1.6
325.10834	1.1
326.11633	7.2
329.12964	1.1
337.50165	1.1
341.13940	41.9
342.14359	5.0
366.18399	1.2
399.21777	92.6
400.22058	12.5
415.21307	8.7
424.60934	1.3
443.20505	49.7
444.21017	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2077
Annotation	DEL-22379
Peak:m/z	Relative Intensity
51.06199	0.6
51.58570	0.6
59.01374	1.7
63.42574	0.8
69.03451	1.7
69.57596	1.5
69.57998	2.0
77.54893	0.6
85.02965	0.8
87.04493	0.7
95.05033	1.9
111.04536	14.7
113.09718	3.1
123.08183	1.3
127.93510	0.7
144.99060	0.7
165.09186	2.5
166.06351	1.2
167.07132	2.5
168.21458	0.7
179.07016	0.9
181.08710	13.9
191.07140	1.3
201.09134	0.8
209.08206	13.1
219.10222	1.9
221.08250	1.0
229.12299	1.5
230.13078	0.9
231.10237	0.8
235.13416	1.6
245.15527	1.2
246.08995	1.0
257.11884	2.6
261.11261	1.7
271.13391	4.3
272.14218	5.6
273.11502	4.6
274.11798	1.0
285.14984	1.0
286.12241	0.9
287.16568	10.9
288.13684	4.9
299.12729	0.9
303.16055	4.5
313.14658	1.9
314.15121	1.0
315.12488	1.7
327.15964	1.0
329.17545	1.5
331.15521	11.8
341.17584	2.2
342.11111	1.6
342.18298	0.8
343.11530	0.8
343.21301	1.4
357.13522	2.6
357.21066	1.0
358.14249	2.9
374.31277	0.7
379.07776	0.9
383.18674	1.4
399.21735	6.3
401.19699	3.1
443.20782	100.0
444.21118	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	443.2077
Annotation	DEL-22379
Peak:m/z	Relative Intensity
59.01365	0.7
64.99638	0.6
65.25643	0.5
68.99817	0.7
70.43457	0.5
70.92313	1.0
73.02944	1.6
73.06071	0.6
83.01412	0.8
94.13042	0.7
95.05004	0.8
95.42013	0.6
96.44797	0.5
111.04530	14.2
111.10539	0.6
113.06125	1.8
113.09743	0.7
114.23560	0.5
120.02173	1.6
121.06567	0.7
123.08176	1.3
135.08162	1.5
137.02451	7.5
137.06027	0.7
141.06430	0.6
164.01155	8.4
164.04784	0.7
165.01857	0.7
165.05612	1.2
166.06383	0.6
167.07150	1.1
179.07167	2.6
181.08722	4.6
191.07104	0.7
207.06627	74.2
208.06990	3.7
209.08195	3.8
218.09615	0.7
219.10321	0.7
221.11815	1.9
229.12369	1.0
230.12944	0.8
231.10213	0.8
257.11856	1.9
261.14899	2.4
271.13351	1.7
272.14243	4.8
273.11258	0.8
281.67889	0.6
287.16544	4.3
288.13712	2.1
303.15906	1.6
324.46854	0.6
331.15512	2.8
357.13144	1.0
358.14148	0.8
361.10278	0.6
383.18719	0.8
399.21774	2.1
401.19608	4.0
443.20761	100.0
444.21185	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	443.2077
Annotation	DEL-22379
Peak:m/z	Relative Intensity
58.45508	0.5
68.99793	0.9
69.92375	0.5
70.92290	1.2
73.06094	0.8
80.38729	0.5
83.01379	1.3
86.10684	0.5
87.04514	0.8
90.32939	0.5
95.01416	0.9
95.05043	0.9
111.04527	14.1
112.04845	0.6
112.63892	0.5
113.06094	1.7
113.09789	0.9
120.02187	1.7
135.08199	1.1
137.02449	7.4
164.01158	7.0
164.04727	0.8
165.01877	0.5
165.05568	1.4
165.09224	1.0
179.07211	2.9
181.08727	4.6
201.09236	0.6
203.07182	0.8
206.64835	0.6
207.06635	80.1
208.06972	3.9
209.08235	3.4
221.11823	2.2
227.10770	0.6
231.10355	0.7
245.11853	0.8
245.15388	0.9
249.74977	0.5
257.11798	1.7
258.12344	1.0
261.14941	1.9
271.13290	0.6
272.14178	3.9
273.11389	1.1
287.16605	4.1
288.13626	1.3
303.16052	1.2
313.14471	0.9
331.15613	1.5
341.17746	0.8
343.11786	0.6
357.13412	0.9
364.51178	0.5
399.21686	1.4
401.19867	4.5
443.20770	100.0
444.21075	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	443.2443
Annotation	Preaustinoid A
Peak:m/z	Relative Intensity
51.01292	0.5
53.50021	0.6
79.01878	0.7
97.02969	1.3
109.02991	0.6
109.06598	0.7
111.04527	14.2
123.04521	1.3
123.08179	2.9
125.02460	7.5
125.06102	0.9
149.09702	0.6
150.03310	0.9
151.00421	1.6
151.07649	1.8
159.65210	0.6
163.11288	0.8
165.09296	0.8
166.06340	0.9
167.03580	0.7
167.07182	1.2
177.05569	4.3
177.12854	2.2
178.06313	1.1
179.03520	1.0
183.06696	3.9
190.59650	0.6
191.07176	0.7
193.05191	0.8
193.08707	5.3
194.05820	3.1
195.06642	35.8
196.06967	1.1
198.05301	1.0
203.14371	0.7
205.15932	0.8
207.06763	0.9
209.08163	1.2
219.06584	0.9
221.08208	5.8
233.08197	1.7
237.07700	21.0
238.08087	1.5
247.09799	7.3
262.11978	0.7
271.78851	0.6
275.09268	8.8
315.12674	0.6
329.14017	2.1
371.14136	3.0
371.18304	0.7
373.20374	1.7
378.39026	0.6
425.23343	1.5
443.24420	100.0
443.34827	3.2
444.24704	13.8
444.35666	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
74.99068	1.1
78.22694	0.5
93.00124	0.8
98.22541	1.6
125.06074	1.7
159.08469	4.2
161.06419	2.3
177.05548	0.8
184.12834	0.5
195.91078	0.5
207.06665	1.6
208.07471	0.6
217.07188	1.7
228.96945	0.8
230.40933	0.6
233.08276	0.9
261.04510	0.8
261.11322	3.4
275.06073	0.7
275.12939	1.4
277.07562	2.8
293.07138	0.7
332.66968	0.6
343.12411	1.0
345.13824	1.3
357.13965	2.8
359.15375	100.0
360.15573	13.1
377.16461	0.8
407.39673	0.6
425.20377	1.1
427.21619	47.8
428.21838	8.3
443.24429	5.1
443.28543	3.1
444.24380	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
63.06560	0.4
69.16895	0.5
75.34283	0.4
117.03483	17.1
119.05038	8.0
121.02981	0.8
123.44889	0.5
124.39565	0.4
125.47795	0.5
145.02969	100.0
146.03320	3.6
163.03998	5.3
173.59059	0.5
297.24350	8.9
298.24298	0.6
319.99304	0.5
345.50327	0.5
357.27542	0.5
358.49130	0.5
401.83179	0.6
425.26923	1.1
443.27835	24.5
443.35095	2.3
444.28143	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	443.2807
Annotation	Foetidinol
Peak:m/z	Relative Intensity
63.06560	0.4
69.16895	0.5
75.34283	0.4
117.03483	17.1
119.05038	8.0
121.02981	0.8
123.44889	0.5
124.39565	0.4
125.47795	0.5
145.02969	100.0
146.03320	3.6
163.03998	5.3
173.59059	0.5
297.24350	8.9
298.24298	0.6
319.99304	0.5
345.50327	0.5
357.27542	0.5
358.49130	0.5
401.83179	0.6
425.26923	1.1
443.27835	24.5
443.35095	2.3
444.28143	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	443.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	5.9
57.88029	1.0
59.01385	1.1
60.99284	1.4
61.98819	1.3
68.29237	1.2
73.02930	1.6
81.03470	2.2
83.05028	16.0
85.20791	1.0
95.05051	1.4
98.22530	2.4
99.92631	1.0
109.06585	5.4
111.08170	86.3
112.08519	3.3
125.09775	4.5
129.09242	3.3
138.50517	1.1
173.08203	29.5
221.19173	1.3
269.21368	4.9
287.22311	27.4
288.22794	1.4
342.74658	1.3
371.25867	1.4
381.28082	3.3
385.23730	1.6
399.28705	5.6
407.33353	3.5
425.29202	3.8
441.33890	1.9
443.30298	100.0
444.30560	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	443.3169
Annotation	5alpha,9alpha-Epidioxy-(22E)-ergosta-7,22-diene-3beta,6beta-diol
Peak:m/z	Relative Intensity
54.45316	2.0
57.03452	4.0
57.66158	2.6
59.01374	4.8
61.98840	2.2
69.55879	2.7
71.28820	3.9
72.49186	2.2
72.99306	6.1
73.02962	3.2
85.36238	2.1
114.45490	2.4
163.09116	2.6
243.84084	2.7
282.40555	2.3
329.42310	2.3
343.21619	3.4
357.22348	2.3
374.44214	2.9
381.28586	3.5
397.31326	4.1
399.29251	3.9
413.34329	8.1
443.31757	100.0
444.31876	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	443.3169
Annotation	5alpha,9alpha-Epidioxy-(22E)-ergosta-7,22-diene-3beta,6beta-diol
Peak:m/z	Relative Intensity
51.70913	0.2
57.03431	0.4
57.84113	0.2
61.98822	0.4
63.32735	0.3
66.76972	0.3
71.01382	0.4
85.02956	100.0
86.03302	2.0
86.85816	0.2
87.04519	0.5
97.06606	0.4
99.74585	0.2
99.79198	0.3
107.05019	0.3
111.04527	3.6
112.04829	0.3
113.02472	0.3
113.09743	0.7
116.64064	0.2
123.08134	0.5
125.09749	0.3
129.05670	0.4
139.03976	0.3
165.09268	0.5
166.69344	0.3
167.07115	0.9
181.08699	3.5
183.06723	0.3
191.07368	0.3
207.06573	0.4
207.10298	0.4
207.64572	0.3
208.45930	0.3
209.08186	3.6
219.10384	0.5
235.13400	0.3
257.11960	0.5
261.11279	0.3
271.13309	1.2
272.14151	1.6
273.11346	1.1
285.15094	0.5
287.16498	2.0
288.13745	1.1
299.13022	0.3
303.16058	0.9
313.14548	0.3
315.12439	0.4
327.15707	0.4
329.17654	0.5
331.15543	3.3
332.16125	0.3
336.74588	0.2
341.17743	0.5
342.11209	0.3
357.13379	0.4
357.20782	0.5
358.14182	0.5
367.45325	0.3
381.28152	0.3
383.29608	0.4
399.21786	2.0
399.28473	0.3
401.19751	0.7
443.11884	0.4
443.20813	19.5
443.31763	21.1
444.21204	2.6
444.32062	3.7
444.37698	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.317
Annotation	5alpha,9alpha-Epidioxy-(22E)-ergosta-7,22-diene-3beta,6beta-diol
Peak:m/z	Relative Intensity
51.07406	0.4
57.03454	2.3
59.01371	1.3
65.38518	0.4
69.03448	1.5
69.24184	3.1
71.05004	0.5
83.05024	0.4
85.02958	2.5
85.06582	0.8
87.04502	0.8
97.06595	0.6
98.22528	0.8
109.02975	0.4
111.04535	5.2
111.08156	2.4
113.09728	0.8
121.03004	0.5
123.08117	0.6
125.02438	0.6
125.06006	0.5
151.07620	0.4
163.07573	0.7
165.09204	0.8
166.06384	0.6
167.07123	1.2
173.08130	0.6
173.11890	0.6
177.43507	0.5
179.07132	0.7
181.05034	0.5
181.08711	5.7
183.06624	1.3
187.09711	0.4
191.07028	0.5
193.05104	0.6
193.08699	0.6
195.06628	0.6
207.06639	7.0
208.07277	0.6
209.08203	5.8
221.08141	1.0
222.36778	0.5
229.12352	0.7
231.10190	0.5
235.13342	0.5
245.15346	0.5
249.07722	0.4
257.11758	1.2
261.11349	1.2
271.13370	1.7
272.14102	1.7
273.11398	1.3
285.15115	0.8
287.16443	3.2
288.13678	1.5
303.16031	1.7
315.12088	0.7
329.17636	0.6
331.15585	4.3
357.20712	0.6
358.14081	0.7
381.27954	0.7
383.18716	0.6
383.29465	0.6
399.13715	0.8
399.21918	2.6
399.32831	6.1
400.32907	0.7
401.19833	0.8
443.20764	23.5
443.31598	100.0
444.21173	3.6
444.31976	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3168
Annotation	5alpha,9alpha-Epidioxy-(22E)-ergosta-7,22-diene-3beta,6beta-diol
Peak:m/z	Relative Intensity
54.41509	0.6
57.03456	0.7
57.49028	0.7
59.01380	0.8
69.03433	0.7
69.39602	0.6
70.54095	0.6
70.62130	1.3
111.08150	1.8
137.09737	1.0
150.17715	0.7
217.80380	0.7
236.80473	0.7
371.25708	1.0
371.29880	0.9
381.27991	10.5
382.28305	1.2
397.31183	1.9
399.28738	21.2
399.32977	4.3
400.29129	2.5
403.63452	0.8
415.35974	1.2
427.32266	2.8
443.26981	20.3
443.32294	100.0
444.32440	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	443.3167
Annotation	5alpha,9alpha-Epidioxy-(22E)-ergosta-7,22-diene-3beta,6beta-diol
Peak:m/z	Relative Intensity
50.28225	0.6
53.23326	0.5
57.03446	0.8
59.01355	0.8
60.99263	0.5
61.98817	0.7
63.48125	0.5
69.36462	2.4
69.36863	1.3
83.05010	1.1
96.49397	0.5
173.11790	1.3
189.12817	0.7
191.14453	0.6
239.15239	0.6
287.22247	1.9
315.25244	0.6
363.26990	1.0
367.30035	1.0
369.27798	1.7
373.25156	0.6
379.30380	3.3
381.27582	0.7
381.31714	1.3
391.30377	0.7
397.30975	1.0
399.28165	1.1
399.32755	14.9
400.33023	1.6
405.31635	1.3
425.34949	1.1
439.32324	0.7
441.33258	0.9
443.31555	100.0
444.31870	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	443.3386
Annotation	oscr#34
Peak:m/z	Relative Intensity
58.41279	0.5
59.01394	0.9
71.30025	0.5
71.30398	0.5
89.02416	0.6
91.04026	0.7
95.64137	0.5
101.18633	0.5
102.04217	0.5
117.03469	3.4
119.05040	1.3
130.18156	0.5
145.02966	20.4
146.03326	0.9
163.04037	1.1
164.43712	0.5
188.54456	0.5
224.06975	1.6
238.97041	0.5
264.07169	0.5
279.27139	0.8
297.24365	1.5
305.28510	1.1
307.30087	84.3
308.30457	6.9
325.31186	2.0
351.29065	41.5
352.29385	4.1
369.30109	100.0
370.30460	8.8
443.27982	2.8
443.34576	84.3
444.34933	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	443.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
70.56558	0.7
70.56880	1.2
88.17056	0.9
98.81442	0.7
99.08164	1.7
101.49715	0.7
127.11294	4.1
127.61727	0.7
129.09187	0.7
141.12851	3.5
145.08707	1.5
155.10715	3.6
173.11833	59.9
174.12206	2.6
175.33257	0.7
185.11923	0.9
194.57823	0.7
241.21695	1.5
269.21344	4.9
285.20755	1.7
287.22287	81.1
288.22583	5.3
315.25366	4.2
335.79663	0.7
344.36584	0.8
379.30109	0.7
394.83203	0.8
425.34869	1.0
431.00748	0.8
443.33820	100.0
444.28238	1.0
444.34192	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	443.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	1.1
58.82264	1.3
59.01377	2.3
80.31010	1.1
91.04006	1.7
97.06613	1.1
125.09669	1.2
126.10135	1.0
153.83640	1.2
213.95189	1.0
305.28583	1.9
307.30081	100.0
308.30478	8.7
325.31064	2.2
325.54977	1.2
351.29074	45.3
352.29419	4.3
369.30109	77.0
370.30502	8.0
443.34158	43.7
444.34610	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	443.3537
Annotation	Topsentisterol A2
Peak:m/z	Relative Intensity
51.78932	0.5
52.44774	0.6
52.86317	0.6
71.17924	1.0
89.63674	0.6
117.74036	0.6
134.41495	0.5
166.51198	0.7
290.21030	0.5
307.30087	14.0
308.30493	1.4
348.42239	0.6
351.29022	6.3
369.30109	15.4
370.30536	1.4
440.38071	0.6
443.35300	100.0
444.35602	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	444.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04232	8.2
53.27565	7.0
59.01377	100.0
61.98833	60.0
63.30352	7.9
64.59840	8.2
69.16539	58.8
70.13046	7.0
71.01380	49.5
73.02944	15.3
85.02923	19.4
89.02457	36.3
98.21766	15.0
99.38972	7.5
101.02471	38.5
108.02214	9.7
111.04533	9.6
113.02442	28.6
119.03549	19.9
123.00875	19.0
125.02421	24.8
137.02370	17.2
151.00336	8.8
152.01199	13.8
161.04561	24.3
163.04085	11.8
168.00659	11.9
169.01385	13.3
175.03998	9.2
179.05627	14.0
179.10681	10.0
180.02509	17.3
195.04897	32.4
203.65514	8.0
205.12225	19.4
218.05830	26.5
233.08197	60.2
261.07703	69.8
316.07388	17.4
330.03757	7.9
381.11920	87.6
382.12280	14.4
387.90643	8.1
445.12445	23.7
445.17230	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84362	1.1
53.71499	1.3
54.95375	1.2
58.92278	1.1
59.01374	10.8
61.98834	100.0
71.01384	6.5
73.02941	2.5
79.42220	1.1
85.02981	1.8
89.02460	4.0
92.47394	1.1
93.03483	3.5
97.02974	2.0
101.02444	3.5
102.02831	1.3
107.47905	1.3
108.02197	4.6
109.02994	3.4
113.02467	2.9
115.92008	1.6
119.05021	3.4
120.05394	1.1
123.00848	1.7
125.02435	2.1
126.17551	1.3
137.02472	3.9
138.02843	2.5
139.04016	10.4
151.04008	1.6
151.74388	1.1
152.01187	4.4
153.01990	2.7
165.01912	1.4
168.00806	1.1
169.01292	1.6
172.20117	1.2
192.02441	1.1
202.45297	1.2
235.11873	1.5
236.12341	1.7
237.12424	2.3
238.12579	2.3
264.77252	1.2
275.02057	1.3
294.92703	1.2
311.01752	1.2
315.01553	1.5
382.18195	1.2
384.18304	5.3
412.99234	1.4
444.11621	1.4
445.13220	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	444.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94129	1.0
56.17086	1.1
59.01381	14.0
61.98837	100.0
67.09446	1.0
70.23370	2.4
71.01384	6.5
72.01717	1.3
73.02950	2.7
83.01367	2.0
84.45572	1.2
85.02973	3.5
87.00870	2.0
89.02454	3.7
93.03478	3.8
97.02959	2.8
99.00899	1.8
101.02454	4.8
108.02174	7.4
109.02945	3.7
111.98970	1.0
113.02463	2.6
116.38199	1.1
119.03555	1.6
119.05034	4.4
121.02969	2.9
123.00912	1.9
123.04559	1.5
125.02467	3.1
125.03328	1.3
136.98967	1.6
137.02414	4.1
138.02760	1.4
139.04025	7.6
143.03481	1.3
151.04108	1.2
152.01166	7.9
153.01945	3.2
163.06320	1.6
165.01952	1.9
169.01494	2.7
222.90265	1.3
235.11887	2.0
236.12137	1.7
272.05072	1.5
310.86356	1.3
315.06985	1.3
384.18524	5.9
444.12115	2.2
445.12903	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	445.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08319	0.5
53.90061	0.6
59.01378	2.3
66.24983	0.6
68.97670	6.7
71.01365	1.1
77.03963	0.8
79.01909	1.2
85.02948	0.8
89.02448	1.9
93.03477	2.0
93.68346	0.8
101.02459	1.5
121.02967	2.9
123.04524	1.3
132.02132	1.2
149.02446	2.7
151.04097	0.6
165.01945	1.5
170.17896	0.7
177.01999	1.7
179.03552	0.8
187.03931	0.6
197.06015	1.7
199.07495	0.8
200.04822	1.1
201.05489	1.1
211.03897	0.9
213.05528	1.4
214.06142	0.8
225.05519	3.0
227.03508	8.5
227.07137	1.0
234.98860	0.7
239.03767	0.9
240.04305	1.7
241.05077	81.4
242.05449	6.2
243.06693	4.2
253.05086	3.0
255.02985	15.9
256.03549	2.3
269.04559	44.6
270.05106	6.2
271.05997	1.4
277.30939	0.6
281.04553	2.1
282.05206	0.8
284.03281	1.9
298.04837	74.3
299.05600	100.0
300.06003	7.1
376.70984	0.7
437.06332	0.8
445.11420	69.6
446.11844	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	445.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01226	1.3
56.46428	1.3
57.03445	1.7
59.01377	2.8
71.01352	1.5
72.43456	1.3
93.03458	6.3
96.95988	2.2
121.02956	5.2
123.04543	2.0
125.02489	1.9
137.02444	4.3
149.02422	1.6
151.00435	2.8
161.02420	1.5
165.01814	2.3
167.37758	1.5
177.01981	2.0
197.06091	2.2
225.05612	4.0
241.05080	64.7
242.05428	3.7
243.06651	10.0
255.02887	1.7
269.04568	92.4
270.02319	2.1
270.05087	14.5
283.05991	1.4
298.04849	69.5
299.05612	100.0
300.05963	6.9
341.06497	2.0
399.00229	2.3
445.11411	88.9
446.11755	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	445.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53394	0.3
59.01359	1.4
68.37519	0.3
69.11691	2.3
71.01369	0.8
77.03960	2.0
79.01891	2.1
79.02272	0.4
85.02903	0.4
87.00865	0.6
87.61471	0.4
89.02450	0.4
93.03452	1.3
97.02905	0.3
100.19038	0.3
101.02448	0.7
102.98595	0.9
111.00884	1.6
111.23736	0.3
113.02442	0.6
117.02668	0.6
117.03466	6.7
119.05022	0.9
121.02970	2.7
125.02446	0.5
134.29825	0.3
135.04533	2.6
137.30830	0.3
145.03001	0.7
159.04482	1.3
161.02464	4.2
161.04529	0.5
163.04018	3.8
165.01950	2.7
169.00072	0.5
169.06650	0.5
173.01035	0.5
173.06087	0.3
183.04564	0.4
184.02528	0.6
196.05290	0.7
197.06137	0.9
209.06158	0.5
210.06822	0.7
211.07616	1.0
213.05469	0.4
215.07138	0.5
224.04698	0.3
239.07114	2.8
241.05090	0.4
254.05847	1.2
255.06648	0.4
268.03864	0.4
281.04480	0.6
282.05328	2.6
283.06131	100.0
284.06445	6.5
295.11325	0.4
325.07199	0.6
327.12024	0.4
335.78647	0.3
369.99121	0.4
378.99075	0.4
445.11453	50.0
445.16782	1.8
446.11792	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	445.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36366	0.5
58.13058	0.5
59.01389	4.0
69.02654	3.4
69.03065	1.3
71.01395	2.7
73.02914	1.6
76.05744	0.4
77.16122	0.5
79.01888	0.9
85.02950	1.2
87.44083	0.8
89.02457	1.1
93.03441	1.0
101.02429	1.3
108.02156	1.1
111.00908	1.2
113.02455	1.2
117.03471	3.7
119.05025	1.2
121.02941	1.8
135.00896	1.6
137.02428	1.0
145.02986	4.0
153.09190	0.9
155.10818	0.5
161.02419	2.3
161.04468	0.9
163.00362	1.1
163.03976	1.4
164.01274	0.5
165.01909	2.6
179.03537	0.8
185.06012	1.1
186.03201	1.6
186.06779	0.5
203.79243	0.6
211.04065	0.6
223.04008	0.6
225.05595	1.5
239.03511	0.9
239.07397	0.9
253.05043	5.7
254.05704	1.3
255.03017	1.1
269.54449	0.6
281.04541	16.7
282.05344	100.0
283.06052	32.8
283.09445	0.8
284.03473	1.0
284.06537	2.0
285.03976	0.8
297.07794	0.8
301.03516	0.6
312.02658	0.8
313.16531	0.7
325.07227	1.6
355.08475	1.5
356.57877	0.5
359.46451	0.6
445.11459	80.1
446.11743	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	445.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28767	1.8
57.03445	5.1
58.99607	14.7
59.01384	91.5
69.03468	1.9
71.01385	39.2
71.28522	2.3
72.99306	4.3
73.02946	10.6
74.02479	1.7
75.00867	1.8
83.01377	4.2
83.53074	1.8
85.02954	17.1
87.00884	32.8
89.02457	22.6
95.01378	4.2
99.00890	4.5
101.02463	23.9
102.98602	99.2
109.02924	2.3
111.00889	3.7
113.02456	21.8
116.71291	2.1
119.03519	9.9
120.99664	4.0
123.00863	4.8
123.04536	7.8
125.02467	13.7
131.03506	2.8
137.02426	4.0
139.00360	2.2
143.03571	3.1
145.02962	4.8
146.03734	5.5
147.04549	11.3
147.08154	2.4
151.00375	3.5
151.07634	2.1
154.06042	2.1
161.04555	19.2
163.11314	2.3
167.03502	19.0
168.00645	4.4
169.01480	15.8
170.01848	1.9
179.01723	26.1
179.03195	3.3
179.05620	4.7
179.10789	16.4
180.02463	6.5
191.05650	2.4
195.04851	35.2
195.06528	3.4
205.12338	23.7
206.12749	2.1
209.08214	4.4
211.02470	8.1
212.02861	2.1
221.08142	4.8
223.13397	4.5
237.11327	1.7
247.06303	2.8
249.06075	9.7
271.04684	14.9
271.42691	2.2
272.04901	5.9
273.04926	3.1
283.04929	100.0
283.11746	3.5
284.05267	7.4
341.16071	4.4
383.16180	2.1
385.18713	8.1
392.85056	1.8
445.17935	17.8
445.23453	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	445.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64379	1.3
53.22800	1.8
58.00581	1.6
59.01096	2.6
59.01379	43.7
69.18661	5.6
69.19086	4.3
71.01389	21.0
72.99303	1.6
73.02958	2.8
75.66913	1.3
83.01373	1.6
85.02949	5.6
85.06597	11.0
87.00863	1.5
89.02450	22.5
94.59358	1.4
95.01393	2.9
98.22535	3.3
101.02445	18.1
107.01379	5.1
113.02454	9.2
113.06081	4.2
119.03513	10.1
123.00882	2.0
123.08159	6.6
125.01679	1.7
125.02487	17.4
131.07150	56.2
140.01093	1.7
143.03395	1.5
149.09734	1.5
151.00304	1.8
161.04567	2.5
168.00601	2.2
168.04225	1.9
169.01436	20.5
179.05574	3.3
183.06621	4.7
211.02486	8.9
219.10223	3.3
237.11328	8.4
271.04602	7.4
293.12445	76.1
294.12793	5.7
299.99127	2.9
312.99805	5.0
313.05560	3.2
314.00629	5.6
324.99918	2.3
397.01938	1.6
445.04407	18.9
445.13477	100.0
445.20541	11.7
446.13947	9.5
446.21069	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	445.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.4
59.01378	7.6
61.98841	5.3
69.03445	1.3
69.59154	3.6
71.01387	8.9
72.99286	1.3
73.02937	2.5
75.00881	7.9
81.03478	1.6
83.01381	1.7
85.02948	6.5
87.00879	1.4
89.02450	3.9
93.03470	1.2
95.01397	3.8
96.96016	0.7
101.02470	5.5
103.04015	14.2
108.02184	73.8
109.02968	49.8
110.03312	1.5
113.02459	2.9
119.03513	0.8
121.02970	1.8
123.00906	4.1
123.04528	3.0
124.01678	1.0
125.02431	2.3
135.00906	1.6
135.04472	1.4
138.01892	1.1
139.04022	2.2
147.06642	4.9
151.04012	2.3
152.01166	85.8
153.01959	35.5
154.02345	1.0
161.04547	1.1
163.04033	1.5
165.01871	2.4
165.05434	0.8
166.99834	0.8
169.01317	1.4
179.03487	1.4
201.51219	0.8
209.08179	1.2
265.10928	1.3
297.06143	7.8
315.07248	21.0
316.07544	1.8
373.07782	6.2
395.04669	0.9
401.10818	9.7
445.13510	100.0
446.13834	12.0
469.65781	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04752	0.7
55.01871	0.6
57.03445	2.3
57.80698	0.6
59.01101	1.0
59.01383	19.2
61.17489	0.6
69.49222	3.5
71.01040	0.8
71.01392	10.0
72.41882	0.7
73.02940	2.5
81.03448	1.3
83.01389	1.2
85.02959	7.9
87.00893	0.7
87.11439	0.6
88.58074	0.6
89.02444	7.7
93.03500	0.9
95.01380	2.0
98.21804	1.1
99.00859	0.7
101.02441	6.5
101.06107	0.9
103.04015	15.1
107.04972	0.8
108.02183	61.4
109.02966	47.5
110.03404	0.7
113.02444	4.4
119.03500	2.5
121.02947	1.7
123.00891	2.6
123.04539	1.6
125.02458	1.4
135.00926	0.8
138.01978	1.5
138.05618	3.1
139.04007	1.6
147.06638	3.7
151.04019	2.0
152.01163	75.6
153.01956	37.1
154.02257	1.5
161.04538	1.9
163.04031	1.0
165.01965	2.1
179.03574	1.2
179.05566	2.0
297.06198	5.2
315.07199	17.9
324.82477	0.7
394.85300	0.7
401.10910	11.8
402.11353	0.9
445.13513	100.0
446.13742	10.8
460.26202	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	68.1
59.01380	15.7
61.98844	2.2
71.01389	13.2
73.02956	2.2
83.01400	3.9
85.02946	7.8
93.03466	11.3
95.01365	4.1
96.96020	8.2
99.04527	58.9
101.02444	20.3
109.02950	4.8
111.00871	5.3
113.02498	4.2
121.02944	5.2
122.08424	1.9
123.00885	20.9
123.04503	2.9
124.01675	100.0
125.02468	37.1
135.04501	1.7
137.02452	20.2
138.03275	11.4
139.00385	2.5
139.04025	94.7
140.04335	4.4
149.02403	3.4
150.03185	2.2
151.04056	3.2
153.01906	1.7
161.04562	12.0
165.01865	2.2
165.05583	3.6
167.03462	3.0
169.01457	3.2
177.05579	2.1
181.05075	2.7
203.05675	2.3
283.08231	18.1
301.00064	3.0
301.09271	7.2
343.10541	3.0
385.02386	3.3
445.07114	2.1
445.13168	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	445.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25800	1.0
55.45229	1.0
57.03462	1.1
58.00584	0.9
59.01382	78.0
60.01726	1.1
61.98812	1.2
71.01386	33.6
71.22928	0.9
71.28959	1.7
72.99286	2.2
73.02940	1.6
75.12627	0.9
77.12793	1.0
83.01378	2.0
85.02947	6.1
85.06602	12.6
87.00881	2.2
89.02449	48.8
93.03484	1.0
95.01380	2.5
96.95995	1.0
99.04482	0.9
101.02451	19.0
107.01378	4.3
111.00848	1.4
113.02459	17.8
113.06113	3.5
119.03516	21.0
120.03851	1.2
121.02947	3.4
123.00891	4.1
125.02467	16.5
127.07665	1.3
131.03500	1.7
131.07153	59.2
132.07449	2.1
137.02452	1.7
139.00371	2.0
140.01137	1.3
143.03535	1.9
149.04581	1.1
151.00375	2.6
153.09230	1.5
159.11749	2.5
161.04558	3.4
162.17810	1.1
165.80191	1.1
167.03496	1.2
168.00645	3.3
169.01439	22.1
173.08183	1.7
179.05663	11.0
195.04764	1.1
203.10809	7.5
211.02469	11.4
221.11853	5.9
241.01303	1.2
243.02998	1.4
247.09712	2.4
257.00967	1.3
258.01648	1.7
265.10840	6.1
271.04645	9.8
285.00415	4.8
293.12436	82.3
294.12814	3.2
297.00452	1.3
299.99109	11.2
312.99921	19.9
313.05673	2.7
314.00653	21.2
315.01346	4.9
323.70392	1.1
324.99854	6.6
326.00323	1.2
327.01526	3.2
331.06476	1.1
340.99423	1.5
343.00931	4.8
352.99362	3.2
355.00882	7.8
370.83401	1.1
371.00403	3.5
372.01089	1.7
385.02066	1.5
387.16785	1.1
397.01965	1.8
427.02991	1.3
445.04089	68.4
445.13455	100.0
446.04556	6.5
446.13776	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	445.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02765	0.7
54.06230	0.8
57.03471	1.0
58.92065	0.8
58.99610	17.0
59.01387	7.0
61.98822	1.0
62.23664	0.8
69.18300	6.5
71.01385	11.6
72.37154	1.0
73.02948	3.3
83.01417	1.4
85.02944	7.0
87.00877	16.7
87.02761	2.1
87.42412	0.9
89.02469	3.8
95.01347	1.1
98.22543	1.5
99.00902	1.5
101.02442	7.3
102.98603	100.0
103.98943	1.0
113.02466	6.3
119.03485	1.5
119.05045	2.6
120.33808	0.9
124.97582	0.8
125.02467	1.4
136.99132	1.5
137.02438	1.6
153.09200	1.3
159.03012	0.9
161.04617	6.7
161.09679	2.0
163.04050	2.3
177.69403	1.0
195.08449	1.8
205.07281	1.0
249.06175	7.9
282.04962	1.2
283.04938	72.0
284.05301	4.4
311.02399	0.9
445.11801	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.7
69.72311	1.6
79.95744	3.0
96.96020	100.0
98.22470	0.6
101.44195	0.4
114.92633	10.6
121.02946	0.6
122.01825	0.6
125.02460	0.7
125.09750	0.7
149.46513	0.5
169.01526	0.6
171.10323	0.7
181.97260	0.5
201.44398	0.5
227.93057	0.5
271.02533	0.5
299.05713	1.3
329.23349	14.2
330.23776	1.1
345.22903	0.7
365.21179	0.8
369.57278	0.6
376.84711	0.5
409.19034	53.5
410.19373	4.9
445.16663	7.8
445.25583	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01281	0.4
52.08155	0.4
57.03463	0.5
59.01388	4.2
62.18845	0.5
65.10567	0.4
67.01869	0.7
69.26926	2.5
71.01393	5.1
72.99291	0.5
73.02934	2.0
73.37284	0.5
75.91270	0.5
79.01877	0.9
83.01374	1.6
85.02944	1.9
87.00884	0.6
89.02452	1.1
95.01394	2.2
97.02995	0.5
97.31523	0.4
99.00902	0.7
101.02444	3.8
107.01411	2.8
111.00888	2.8
113.02451	1.8
119.03519	0.5
123.00896	15.5
124.01662	1.3
125.01537	0.9
125.02454	17.1
127.00370	1.0
129.27957	0.4
136.98790	1.4
139.00397	5.7
140.01173	3.9
141.01929	1.9
151.00388	12.7
151.03905	0.5
153.01973	0.7
161.04614	0.8
163.04068	0.7
168.00655	4.0
169.01433	22.7
170.01738	1.0
174.37656	0.4
179.03438	0.7
179.93654	0.4
181.05078	0.6
193.05067	0.6
206.81758	0.5
211.02469	1.6
247.54926	0.4
271.04630	1.8
282.05264	0.9
312.50143	0.5
313.05618	1.2
445.17145	100.0
446.17505	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	445.172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76814	1.4
52.35513	1.0
55.01883	1.2
55.05338	1.0
57.03445	2.2
58.00588	2.6
59.01384	100.0
61.98827	4.2
69.03454	1.3
71.01385	42.0
71.05020	2.3
71.29208	1.0
72.99289	3.2
73.02951	1.5
73.31717	1.1
74.64571	1.0
83.01382	1.6
85.02959	7.9
87.00869	2.6
89.02450	52.1
91.05557	1.7
93.03435	1.5
95.01395	4.9
99.04507	3.3
101.02450	24.9
106.49049	1.1
107.01396	3.9
108.02187	1.1
111.00887	1.9
113.02450	18.5
119.03515	22.4
121.02908	1.7
123.00896	8.7
123.04500	2.1
125.02474	16.7
131.03519	2.8
131.07153	1.9
133.10277	1.6
136.98813	1.4
137.02428	1.6
139.00380	3.5
140.01199	1.5
143.03508	4.1
143.08554	1.1
147.11824	3.8
149.04526	1.8
151.00385	6.0
153.09216	2.1
159.11809	17.2
160.21922	1.0
161.04544	4.7
161.05867	1.5
165.74135	1.1
168.00664	5.1
169.01440	18.1
177.12851	4.6
179.05617	11.4
191.10760	2.8
192.32747	1.0
195.04848	3.6
203.10802	30.1
205.12357	2.6
211.02504	12.6
221.11841	23.3
223.13344	1.7
231.08904	1.3
235.09654	2.1
247.09746	9.3
262.68484	1.3
265.10931	7.8
271.04626	15.0
285.00616	2.1
293.12418	7.9
299.99109	5.3
300.99997	1.3
312.99933	4.5
314.00708	9.0
315.01392	2.8
324.99915	3.4
355.01151	1.7
375.14664	1.1
385.01730	1.7
385.18686	3.5
401.18011	1.5
427.16031	3.6
445.04089	23.7
445.13477	46.6
445.18542	4.1
446.04367	4.1
446.13104	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	445.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	65.4
69.43437	68.5
71.01359	19.5
74.99095	26.8
82.23029	14.0
96.96001	19.1
98.21786	32.2
101.02460	24.8
109.02924	19.9
111.00917	28.5
111.26846	17.6
125.02390	20.4
136.99139	19.2
137.02438	46.5
149.02461	15.0
151.00378	15.1
173.66484	17.0
219.09096	16.2
223.13472	18.9
277.16669	29.2
301.03574	23.0
373.18494	17.9
409.20773	100.0
445.08130	20.6
445.18671	67.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	1.1
58.00601	2.3
59.01383	100.0
67.55235	0.9
71.01384	29.9
71.08254	1.1
72.99317	1.9
82.48036	1.0
83.01444	1.3
85.02974	4.3
87.00877	2.3
89.02451	49.1
93.17367	1.0
95.01408	2.7
96.92750	1.0
96.95998	1.5
101.02460	16.3
113.02451	13.6
119.03509	18.8
123.00014	1.2
123.00879	1.4
124.72259	1.0
125.02467	5.5
131.03497	2.7
139.04027	3.3
143.03560	3.2
151.00446	1.2
161.02377	1.3
161.04515	5.1
179.03433	2.4
179.05627	14.5
194.05948	2.6
209.08195	5.6
263.02255	1.1
263.69281	1.4
283.11996	1.3
315.01587	1.3
385.02368	1.6
445.04248	2.4
445.12964	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	445.208
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00594	1.2
59.01381	100.0
69.27522	0.6
69.55114	2.0
71.01384	15.6
72.99329	0.7
73.02958	1.8
83.01440	0.6
83.78058	0.7
85.02956	3.4
87.00872	0.9
89.02452	20.1
92.05786	0.7
95.01402	1.3
99.00919	0.7
101.02463	11.1
113.02453	8.1
119.03500	9.2
119.04246	0.9
125.02509	1.8
131.03574	1.0
143.03479	1.6
150.15373	0.6
161.04599	4.5
169.01515	1.6
179.05620	5.1
207.30391	0.6
223.13451	0.9
249.50038	0.7
260.56012	0.8
283.11996	1.4
385.18677	14.5
385.22937	1.1
386.19101	1.6
445.13559	2.7
445.18045	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	445.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.2
59.01386	72.0
60.01718	1.1
60.51418	1.0
67.73964	1.0
68.95809	0.9
69.24245	5.3
71.01392	14.7
72.99304	1.0
73.02951	3.4
75.00883	11.1
80.02680	1.1
81.03441	1.0
83.01406	1.4
83.05033	4.7
85.02952	4.7
87.00894	2.8
89.02451	11.7
93.03493	1.0
99.00922	2.4
101.02443	12.2
111.00893	8.5
113.02466	9.3
113.10249	1.0
119.03527	6.1
119.05033	1.4
119.49089	0.9
121.06615	1.1
125.02444	2.3
137.02463	2.6
137.06078	8.6
143.03532	2.1
149.99797	1.1
158.94037	1.0
161.04568	5.5
163.11403	2.4
165.12808	1.0
167.03600	1.0
179.05627	2.0
187.11276	1.1
205.12369	2.0
209.11844	100.0
210.12209	5.0
221.08444	1.0
253.09296	11.6
269.04666	5.2
341.02869	1.3
368.12961	1.1
385.18716	2.8
409.12756	0.9
409.31555	0.9
445.11362	1.2
445.17105	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	445.2235
Annotation	Semimyrtucommulone
Peak:m/z	Relative Intensity
61.59527	0.3
69.07175	2.4
71.05013	0.4
78.80203	0.3
79.01873	0.9
79.16776	0.4
85.06593	0.7
93.86306	0.3
95.05020	2.7
97.02952	1.4
98.21788	0.6
109.06565	0.9
111.04520	2.4
121.02926	0.4
123.08183	2.0
139.04025	6.0
147.08160	1.1
150.06828	0.3
163.07672	0.6
165.01942	0.9
165.09222	17.3
166.09593	0.7
178.95204	0.3
181.08740	2.0
191.07123	1.1
193.08650	0.4
209.08200	100.0
210.08519	5.2
214.43059	0.3
217.12494	0.4
256.46262	0.3
263.12906	5.1
427.32553	0.4
445.22366	20.1
445.32248	2.0
446.22583	2.4
446.33704	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2237
Annotation	Glycinoeclepin A
Peak:m/z	Relative Intensity
57.03468	1.6
59.01382	2.7
70.36269	1.4
70.58937	2.8
70.97019	1.4
76.22528	1.4
84.04079	1.2
84.04682	1.3
91.92832	1.3
124.01676	18.2
137.02527	1.9
138.03230	1.5
139.00378	1.3
149.02444	2.7
151.04041	1.7
159.04576	4.2
161.02516	1.6
168.00661	9.6
175.04028	11.0
177.05563	2.7
189.05643	3.7
193.01427	4.4
201.05602	13.3
203.07166	5.8
211.07520	2.0
215.07104	1.9
219.03026	1.7
227.03464	1.9
228.11554	1.9
244.11061	2.5
245.04573	6.8
246.12570	3.4
253.12639	1.6
318.14975	1.7
365.21231	2.3
383.22241	19.2
384.22507	3.2
399.29462	2.2
401.23288	30.1
401.30884	3.1
402.23645	2.9
427.21307	5.7
427.28613	3.1
445.22351	100.0
445.29498	29.7
445.34631	4.6
446.22665	11.5
446.29761	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	445.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49951	1.8
56.28711	2.2
59.01378	7.6
59.55318	1.9
61.98856	2.3
69.03459	68.7
71.01392	4.9
78.95900	4.3
80.66412	2.2
83.05013	2.7
87.04513	16.8
102.32936	1.8
111.08148	9.5
113.02474	19.7
119.55573	1.9
125.09692	2.7
127.80613	1.9
131.03517	24.9
135.18230	2.0
152.99623	6.5
153.12811	3.8
173.08220	8.0
197.11775	3.2
215.12924	6.9
230.47247	2.0
247.12186	2.5
289.16608	3.1
313.24023	3.1
331.24927	40.3
331.28543	2.9
332.25391	3.3
373.31253	3.0
445.28586	100.0
446.29398	11.9
465.99353	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	445.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.8
59.01369	3.6
63.04997	0.7
63.44014	0.7
66.22672	0.8
67.47565	0.7
69.03461	38.7
69.68762	2.2
71.01385	2.6
75.00901	0.7
83.05059	0.8
85.22446	0.8
87.04513	11.2
95.04983	1.3
97.06618	1.0
98.22636	0.7
109.06587	1.1
111.04514	6.8
111.08162	0.8
112.04876	3.0
113.02463	11.1
113.06095	1.0
113.09782	0.8
121.02962	0.9
125.09716	1.9
127.11284	1.1
131.03510	13.5
135.04506	1.0
137.02425	2.8
139.03003	1.0
139.04008	1.1
141.05592	1.1
149.02446	1.3
151.07506	0.9
164.01169	1.6
164.04822	4.2
165.01445	2.0
165.09161	1.0
165.84433	0.8
171.10313	1.1
173.11821	1.5
179.07126	3.6
180.07498	0.8
181.08754	1.8
183.06607	1.2
191.07111	2.5
207.06647	14.7
208.07004	14.7
209.07152	8.2
221.11807	1.1
274.14786	1.1
287.22232	1.1
289.17035	1.5
313.23932	2.8
329.25119	1.9
331.24905	24.3
332.25256	2.0
333.16101	1.1
367.26373	1.7
381.27780	1.7
383.25589	1.5
383.29779	2.0
385.27441	11.5
386.27728	1.6
399.29138	1.9
401.30820	5.8
403.20145	1.3
445.21362	49.2
445.28867	100.0
446.21671	3.3
446.29227	12.4
466.90057	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38168	0.8
54.25823	0.7
57.03455	1.9
58.00598	2.1
59.01390	4.5
69.00954	4.0
69.01379	3.4
69.03464	2.8
71.01402	1.3
73.02947	2.9
83.05033	1.6
85.02964	2.7
87.04532	1.3
95.05086	1.1
97.06620	1.4
111.04530	2.9
125.09762	1.3
153.09151	0.9
159.06639	0.9
165.09212	1.0
171.07022	0.8
173.11816	1.3
181.08665	1.9
183.85611	0.9
188.42941	0.8
207.06639	3.7
208.06999	3.2
209.06946	1.3
209.08379	2.1
314.47287	0.9
327.22659	0.8
331.24979	1.8
343.26285	1.2
345.22809	3.4
367.26520	1.4
369.27884	1.7
370.27493	0.8
373.26221	1.0
381.27939	5.0
383.25488	1.1
383.29556	4.6
385.31296	1.4
397.27567	3.5
399.29053	75.6
400.29279	7.7
401.30667	8.2
403.66217	0.9
415.32428	1.4
421.30420	0.9
427.32410	1.8
429.30203	2.1
445.21497	12.5
445.28937	100.0
445.34390	7.4
446.21399	1.0
446.29330	14.4
467.11932	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42693	0.5
57.03444	0.9
59.01367	0.8
63.57253	0.5
68.36726	0.5
71.01386	0.7
71.05011	0.6
85.42982	0.5
87.00880	0.6
87.74990	0.5
90.35136	0.5
95.05066	0.5
97.06603	0.8
109.03004	0.7
110.66761	0.5
111.04530	1.2
125.09711	1.5
145.06532	0.6
173.11873	0.5
179.07114	0.6
181.08679	1.0
181.39647	0.5
183.06686	0.7
191.07097	0.8
195.06677	1.0
209.08165	0.7
209.11934	0.7
221.19121	0.7
234.54201	0.5
249.18533	0.7
251.20218	1.6
311.22040	0.7
357.27850	0.8
363.26965	1.2
365.28513	3.6
371.29587	1.6
379.26483	1.7
381.28018	32.1
382.28308	3.4
383.29639	12.4
384.29935	1.2
397.27518	1.4
398.28317	0.5
399.29074	25.1
400.29358	2.5
401.30771	14.8
402.31073	2.1
403.32407	0.7
445.29633	100.0
446.29980	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	445.296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14570	0.6
57.03461	0.6
58.00577	0.6
58.08484	0.5
59.01384	2.9
60.99304	0.9
61.98821	1.0
63.26174	0.5
69.03458	0.9
69.52516	1.8
69.52943	0.7
71.01379	0.7
71.05027	0.7
73.02946	0.7
78.18735	0.5
83.01434	0.5
83.05061	0.5
84.85310	0.5
85.02959	0.8
87.04479	0.6
94.93312	0.5
95.05055	1.0
97.06644	1.3
111.04556	1.4
111.08220	0.7
113.02464	1.0
119.67190	0.5
121.02984	1.2
123.04530	0.7
125.02486	1.3
125.06140	0.6
125.09732	2.3
135.04501	0.5
151.04204	0.5
165.09279	0.7
169.01428	0.5
173.11856	0.9
181.08804	0.9
187.09846	0.8
201.11269	0.6
209.08182	2.5
209.11964	1.5
211.94859	0.5
261.07394	0.7
275.09430	1.6
276.09937	0.6
331.25006	0.7
337.25793	0.6
367.26584	0.9
371.29416	2.5
381.28250	3.1
383.24960	1.3
383.29636	17.6
384.29694	2.3
397.27722	2.0
399.29059	44.0
400.29376	4.9
401.26535	0.9
401.30972	1.2
427.28677	1.5
445.29813	100.0
446.30109	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	445.2959
Annotation	(R)-4-((3S,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-7,11-dioxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
Peak:m/z	Relative Intensity
57.03450	7.4
59.01377	1.2
91.12238	0.9
94.72727	0.7
96.54227	0.7
98.22543	1.7
107.05983	0.7
128.40132	0.7
151.34630	0.8
160.49918	0.8
245.12076	0.8
262.00745	0.8
274.62744	0.8
357.28000	1.1
371.29587	1.0
383.29553	2.5
387.25378	2.5
401.30591	2.1
427.28491	1.5
445.29605	100.0
446.29895	13.5
462.83008	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.296
Annotation	CHEBI:68043
Peak:m/z	Relative Intensity
55.42453	0.8
59.01387	9.1
60.48877	0.7
69.03453	1.6
69.12195	5.9
69.12520	0.8
70.74883	0.7
71.01369	1.1
72.99319	0.6
78.04748	0.7
78.95926	1.6
85.02940	2.0
85.06591	1.3
87.00851	3.6
95.05018	3.3
97.06584	0.9
99.00900	0.9
99.35767	0.7
107.05046	1.0
109.02985	0.8
109.06576	1.8
111.00927	0.8
111.04508	3.1
112.04890	0.8
113.09677	0.8
118.73135	0.8
121.02952	1.5
123.08163	1.3
125.09708	1.5
137.09732	1.7
139.04021	1.3
145.02890	1.0
151.07661	0.8
152.99567	1.8
159.10239	1.3
165.09216	4.6
175.09734	2.4
181.05049	3.2
181.08652	4.1
183.06573	1.8
191.07153	0.9
195.06612	5.3
197.06065	2.2
209.06293	1.0
209.08200	18.7
210.08652	1.1
221.06061	1.2
221.08151	1.3
233.08356	0.8
235.09790	8.7
240.04250	1.0
250.06218	2.0
261.07617	1.3
263.12918	3.8
265.05020	4.0
279.06662	1.5
283.05853	0.9
287.22253	1.1
289.10739	0.7
294.05276	6.2
309.07629	4.6
311.22150	1.0
331.24826	4.1
343.09930	1.0
345.27972	11.4
346.28217	1.0
355.26199	1.3
357.23819	1.0
357.27811	3.4
365.28131	0.9
375.59875	0.8
381.28091	2.2
383.29651	17.6
384.29642	2.4
385.30121	1.0
397.07083	1.0
397.27322	3.3
398.26688	0.7
399.28934	1.3
401.30688	44.1
402.31216	5.4
403.24677	2.0
413.10394	1.0
415.08237	0.8
415.28412	3.0
425.26099	0.8
427.13809	1.0
445.12991	30.9
445.29547	100.0
446.13242	3.9
446.29868	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	445.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01292	1.2
61.98753	0.9
69.24788	3.9
78.95824	0.5
83.04932	0.8
85.06470	2.6
90.91428	0.6
95.49565	0.6
97.02911	0.5
97.65821	0.5
99.05036	0.5
99.08033	0.6
102.29964	0.7
102.98885	0.6
113.05956	3.6
121.02873	0.9
121.03703	0.6
125.09658	1.4
127.11314	7.4
131.07149	10.0
143.10660	2.2
155.10640	2.4
157.12347	5.2
171.10301	3.3
187.13292	1.1
201.11116	1.9
295.22827	2.2
313.23837	10.9
317.23300	1.2
329.23215	5.9
331.24902	100.0
332.25262	7.0
357.24414	0.7
383.29599	0.7
399.28824	0.8
445.31738	59.5
446.32077	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	445.3323
Annotation	9-hydroxycerevisterol
Peak:m/z	Relative Intensity
57.75738	0.2
60.99306	1.2
68.96955	0.6
68.97367	1.2
70.16316	0.2
71.01373	0.2
87.00876	0.2
98.22533	0.5
134.18752	0.2
146.89012	0.2
181.08778	0.3
195.06659	0.3
209.08278	0.4
283.41693	0.2
302.43033	0.2
309.41510	0.2
330.34131	0.2
369.31741	1.0
381.27936	0.3
383.29593	4.5
384.30060	0.7
397.31152	0.7
401.30829	0.4
415.32263	0.3
445.33463	100.0
446.33804	13.7
471.11142	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15900	1.7
59.01390	11.9
59.85284	1.4
63.42780	1.6
68.99804	1.8
71.28702	2.6
83.05021	3.2
91.63446	1.7
95.01424	1.9
97.02950	4.4
98.02464	1.7
100.52461	1.6
103.00385	6.8
103.22792	1.7
109.41844	1.4
110.02442	1.6
111.04527	3.3
122.99647	2.8
123.03270	2.2
124.01678	1.8
152.15355	1.6
152.99619	2.0
161.16190	1.8
165.06479	1.8
187.94742	1.5
238.55878	2.0
261.18552	7.2
274.30862	1.9
277.21698	1.9
278.22070	8.7
341.21194	20.8
342.20740	28.3
354.20822	2.2
380.94025	1.9
384.21820	100.0
385.22049	10.6
442.03946	1.9
446.29813	3.3
447.30673	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	446.3768
Annotation	Unknow
Peak:m/z	Relative Intensity
66.17664	0.8
68.58583	0.8
69.40651	1.8
69.41055	3.0
93.85625	0.7
98.21816	1.6
115.92514	0.7
135.08173	2.4
162.06905	1.5
163.07669	50.6
164.07980	2.4
176.42993	0.7
177.09183	1.3
210.45319	0.8
240.09558	0.9
242.62723	0.8
249.33638	0.8
253.08034	0.8
317.89673	0.9
446.37680	100.0
447.38062	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	447.057
Annotation	Eschweilenol C
Peak:m/z	Relative Intensity
59.01382	5.2
61.98819	0.5
69.19971	1.2
71.01373	0.8
89.02440	0.6
90.65153	0.3
101.02462	0.4
125.02443	1.4
132.02184	0.4
137.02452	0.8
143.61797	0.3
144.02234	0.3
145.02904	0.4
148.01703	0.4
160.01686	0.9
161.04582	0.5
167.03479	0.4
169.01445	0.3
172.01666	1.0
176.01193	0.3
185.02477	0.8
188.01166	0.9
200.01215	1.8
201.01765	0.6
216.00676	2.7
226.99925	0.5
228.00708	0.5
229.01419	0.9
230.99190	0.3
242.99316	1.5
244.00169	2.9
257.00940	0.9
270.98801	1.3
271.99567	0.6
282.98877	0.5
283.99744	0.7
298.98364	1.1
299.99130	100.0
300.99832	31.4
302.00186	2.0
316.90018	0.3
447.05707	49.1
447.22229	0.8
448.06070	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.057
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.9
59.01387	6.0
62.55651	0.6
63.43646	0.7
65.72029	0.8
70.33499	2.1
71.01380	1.5
89.02452	1.2
93.03478	6.0
93.09338	0.6
96.95993	0.8
101.02433	1.5
119.03479	0.8
125.02438	2.4
137.02438	1.3
165.01883	3.0
200.01114	1.9
216.00616	1.1
226.40211	0.9
226.99835	0.8
227.03572	0.8
228.00629	1.3
229.01337	0.9
242.99260	2.8
243.03008	1.2
244.00040	1.6
255.02943	3.9
258.01761	3.5
267.12363	1.1
270.98874	36.1
271.02231	3.9
271.81052	0.8
271.99255	2.5
272.03262	0.9
283.99542	4.8
285.00430	9.2
285.03568	0.9
286.01129	4.9
287.01672	1.1
298.98340	46.3
299.99115	46.8
300.02585	2.1
300.99878	19.5
301.03281	1.6
302.00244	2.0
312.99948	13.6
314.00702	43.6
315.01199	4.1
327.04977	1.2
328.99335	0.8
340.56964	0.9
447.05579	100.0
448.06024	12.2
448.23120	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0572
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94008	0.5
59.01382	13.7
61.75887	0.4
69.60142	1.8
71.01404	1.2
71.19243	0.6
76.84441	0.6
83.24404	0.5
89.02494	2.3
94.75395	0.5
101.02505	0.5
119.03493	1.1
172.01636	0.5
200.01131	1.0
216.00648	0.9
227.03542	3.1
242.99327	2.0
244.00117	1.0
255.03001	3.3
256.03369	0.6
270.98856	19.3
271.99283	1.4
284.03214	3.2
298.98349	22.9
299.99121	100.0
300.99524	7.5
303.27057	0.6
314.00681	16.2
315.01486	91.0
316.01788	7.0
394.16882	0.6
432.03271	0.6
447.05588	62.6
448.06094	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	447.0573
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02405	1.1
63.99296	0.6
65.00337	1.9
67.33910	0.5
83.01390	1.4
93.03486	0.8
107.01402	4.9
108.02191	2.3
109.02943	3.6
121.02962	3.9
125.02485	1.0
135.00911	1.6
148.01640	2.6
149.02454	0.9
151.00381	18.2
159.04518	0.7
163.00375	5.4
164.01140	1.1
169.01407	0.7
178.99873	8.6
183.04582	0.7
190.99841	0.8
198.03102	0.8
199.04056	1.4
201.05598	0.7
211.03987	3.3
213.01936	0.6
215.03539	1.3
226.02753	1.8
227.03514	4.8
228.04076	0.7
229.05052	1.8
239.03400	0.8
242.99338	1.3
243.02989	11.9
244.03441	1.3
245.04477	3.0
254.02260	2.1
255.03011	28.9
256.03452	2.1
266.02026	0.9
270.98978	9.7
271.02475	62.7
272.00143	0.6
272.02966	5.0
273.04019	1.8
283.02530	3.3
298.98401	9.0
299.02057	1.4
299.99188	39.0
300.02786	100.0
301.03519	83.3
302.03894	6.2
314.00662	5.4
315.01477	37.9
316.01852	2.0
335.74664	0.6
447.04401	7.3
447.10159	52.3
448.10275	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	447.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63349	1.3
57.03455	14.5
59.01146	1.5
59.01383	19.2
59.87265	1.2
63.29765	1.2
69.28362	4.7
69.28769	3.0
71.01382	10.5
81.03456	1.6
83.01402	9.2
85.02934	1.3
87.00848	1.6
89.02454	14.2
92.54156	1.2
93.03448	3.1
95.01375	2.9
95.05033	2.2
97.02953	2.5
101.02456	9.2
102.23079	1.4
102.98602	1.5
107.01392	3.9
109.02945	8.2
111.00858	5.3
113.02445	4.9
118.77956	1.2
119.03523	6.6
121.02930	4.5
123.00866	5.6
123.04530	6.3
124.01621	3.7
124.20454	1.4
125.02459	100.0
126.02776	2.2
133.05020	1.8
135.04512	1.4
137.01503	1.5
137.02466	21.6
138.03136	1.2
139.00366	2.9
139.04001	4.1
140.01146	2.1
141.02016	2.0
145.02974	2.0
149.02409	3.4
151.00388	1.9
151.04050	9.3
161.02455	4.2
161.04512	1.6
163.03972	2.2
164.01170	2.9
164.98718	1.8
165.01880	4.5
167.03529	10.0
168.00673	14.0
169.01428	26.7
175.04004	2.1
177.01944	16.5
179.03465	1.9
179.97348	2.0
186.42834	1.5
191.24191	1.3
196.97670	2.7
201.05592	1.6
206.99789	10.5
211.02477	36.4
212.02956	1.6
221.01221	2.5
221.98471	3.0
227.07368	1.4
233.01309	1.8
237.00792	4.1
238.98715	4.4
246.99203	1.6
249.00795	24.2
252.96695	4.7
253.97160	2.2
255.03111	2.9
257.01337	2.1
259.02914	2.6
261.00745	2.2
261.03586	2.2
265.00317	1.5
271.04672	31.3
275.02057	3.1
277.00333	1.4
277.03885	4.1
279.01974	3.4
279.98984	1.5
280.99768	8.1
283.02838	5.3
284.03162	1.9
285.03955	3.9
287.05493	2.0
289.00348	1.7
289.07150	4.4
291.01859	1.7
295.10339	41.3
296.10672	2.1
299.02365	1.4
299.99033	3.5
300.99860	5.9
301.03860	12.1
303.01929	2.9
303.05072	2.4
305.06781	8.7
315.01959	3.0
316.99881	3.3
319.04846	1.7
325.03915	1.7
326.98099	1.9
327.01773	9.5
328.02322	1.6
328.99408	3.3
331.06662	2.2
343.04916	11.8
345.02856	7.2
347.00851	1.7
351.01788	1.5
356.98807	2.9
359.00845	7.7
369.02838	5.5
387.04016	80.6
388.04282	7.2
423.07074	2.8
437.05035	1.3
447.01917	2.8
447.11313	65.9
448.11520	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0935
Annotation	5,7,2',6'-Tetrahydroxyflavone 2'-O-glucoside
Peak:m/z	Relative Intensity
59.01398	2.1
60.97604	0.5
65.00321	0.7
69.20905	3.2
71.01376	1.2
77.03990	0.6
79.01898	1.7
89.02451	0.8
92.83003	0.4
97.02950	1.0
101.02434	0.8
108.02190	1.4
109.02964	1.3
111.00882	1.0
114.10028	0.4
121.02964	4.1
123.04482	0.5
136.01637	0.5
137.02448	1.1
139.04086	0.6
148.01694	1.3
149.02441	2.1
151.00377	0.7
163.00296	0.7
164.01143	0.5
165.01973	6.1
166.02676	0.8
168.35756	0.4
177.01910	1.9
181.05064	1.1
192.57904	0.4
193.01440	1.8
203.03465	0.9
213.05565	0.7
218.05946	0.8
229.05080	0.8
239.03391	0.7
240.04276	2.6
241.05005	3.3
243.02892	0.5
255.03108	1.2
257.04578	11.8
258.05020	1.1
268.03766	1.9
269.04562	19.4
270.01984	0.9
270.04944	1.9
271.02527	2.8
283.02362	0.4
285.04065	45.5
286.04568	4.4
297.03836	0.7
300.02734	3.1
301.03726	2.3
313.03592	1.5
314.04337	100.0
315.05008	29.1
316.05576	2.1
357.06497	0.5
397.28207	0.5
447.09332	50.2
448.09531	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	447.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02255	0.7
65.00167	1.7
65.00550	0.9
69.24136	1.8
83.01208	1.4
93.03312	0.9
104.06535	0.3
105.65774	0.3
107.01205	5.0
107.01990	0.7
108.02009	1.6
109.02769	3.9
111.20784	0.4
119.01228	0.5
121.02773	4.4
124.01476	0.4
125.02270	0.4
135.00687	1.7
139.03860	0.6
147.00719	0.5
148.01471	2.2
149.02342	0.5
151.00377	20.2
151.01524	0.9
152.00595	0.8
159.04358	0.9
163.00407	4.9
164.00935	1.5
164.02164	0.4
165.01808	0.4
167.04900	0.6
169.01260	0.6
171.04402	0.7
175.03976	0.6
178.99864	9.4
183.04370	1.5
187.03822	1.1
190.99779	0.4
192.00575	0.6
199.03955	1.6
201.05521	1.1
203.03415	0.7
211.04010	3.0
215.03322	1.2
216.04221	0.8
226.02753	1.9
227.03487	4.6
228.04056	0.7
228.42723	0.4
229.01234	0.4
229.04997	2.0
239.03532	0.7
242.99205	0.8
243.02995	14.0
244.03452	1.2
245.04564	4.2
254.02332	2.1
255.03001	33.4
256.03430	2.3
266.02115	0.9
270.98993	5.8
271.02478	65.8
272.02914	6.0
273.04050	2.2
283.02597	2.5
284.02875	0.4
298.98361	5.5
299.02014	2.2
299.99213	26.9
300.02795	100.0
301.03506	89.4
302.00711	0.6
302.03885	5.8
314.00662	3.9
315.01492	22.9
316.01868	1.2
447.09851	55.2
448.10107	6.5
448.15445	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72912	1.0
51.55057	0.9
55.01880	1.2
58.99612	1.4
59.01389	12.1
69.03431	1.2
71.01385	12.3
71.08000	1.3
72.85981	1.0
72.99330	1.1
73.02952	2.6
83.01385	3.4
85.02966	11.7
87.00896	5.3
89.02449	6.0
93.03464	1.7
95.01369	3.6
97.02956	1.3
98.21904	1.3
99.00895	3.9
101.02439	5.4
102.98604	12.6
108.02180	52.5
108.23678	1.1
109.02973	35.4
109.03716	2.3
113.02450	5.7
119.03503	1.7
119.05015	3.3
120.99651	4.3
121.02928	1.3
123.00877	3.9
123.04498	3.3
125.02478	7.1
131.03526	1.0
133.05017	1.6
137.02419	3.0
139.00322	2.3
147.45660	1.0
151.00368	1.5
151.04004	2.5
152.01161	67.0
153.01958	58.2
153.05551	3.8
154.02281	3.5
159.04495	1.1
161.04562	1.4
163.03973	3.0
167.03473	2.2
169.01398	3.3
179.05498	1.1
180.51718	1.0
206.00833	1.1
206.47655	1.0
271.04492	1.6
283.04907	9.7
315.29703	1.1
387.03726	1.6
447.11322	100.0
448.11758	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	447.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38024	1.1
59.01383	23.8
60.77401	1.0
69.03453	2.5
69.46188	5.2
71.01392	13.2
72.99283	1.4
79.01862	1.5
81.03392	1.7
83.01360	2.4
85.02900	4.0
85.42260	1.4
87.00828	4.0
89.02451	17.2
93.03461	1.3
95.01329	2.2
97.02905	3.3
101.02467	6.8
101.81419	1.1
107.01329	3.9
107.22592	1.1
109.02930	2.4
111.00785	1.8
113.02473	6.8
119.03422	5.1
120.99635	1.6
121.02863	2.4
123.00912	10.1
124.01671	15.7
125.02461	53.7
126.02814	1.4
133.05067	8.6
137.02489	6.9
137.37874	1.2
139.00349	2.4
140.01122	2.4
149.99605	16.9
151.00426	6.4
153.01915	2.7
161.04530	1.4
163.03891	1.5
163.07532	1.5
165.01677	1.3
167.03386	2.4
168.00653	44.4
169.01431	27.8
179.05473	1.5
197.02675	1.7
198.31377	1.3
211.02505	25.4
212.02708	1.1
271.04657	23.3
295.10361	25.2
296.10565	1.6
300.99545	2.1
313.05670	10.7
328.99197	2.1
356.98544	2.9
359.07874	1.8
387.03616	3.5
392.89270	1.4
447.10974	100.0
448.11377	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	447.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.4
59.01396	0.6
62.96412	1.3
63.67276	0.3
68.64760	0.3
71.85004	0.3
78.95912	43.3
85.02952	1.0
85.22372	0.3
87.04510	1.0
96.96964	3.2
109.02996	0.8
109.06619	0.4
111.04532	7.8
113.09740	1.6
123.00911	0.6
125.06075	0.4
141.05615	0.3
149.00104	19.4
150.00435	0.6
152.99588	0.6
153.09221	0.4
158.92487	2.1
165.99718	0.4
169.08614	0.4
179.01173	2.9
179.07172	0.8
181.08725	11.7
182.08989	0.3
183.03001	4.2
195.06581	0.5
196.69081	0.3
197.08182	3.1
205.16002	1.3
209.08252	0.6
211.06175	0.5
211.09793	1.2
211.13411	1.4
219.05960	0.3
233.08255	1.1
248.10464	0.6
252.32564	0.3
254.88824	0.3
255.03174	0.4
263.12796	0.8
267.11768	0.5
271.02521	0.6
291.12460	2.2
300.02847	1.2
301.03589	1.0
347.08313	0.5
385.30780	0.6
403.17459	0.5
417.12808	0.7
431.10361	2.8
432.10895	0.3
446.29565	0.6
447.13470	100.0
447.31003	7.2
448.13852	9.1
448.20059	0.5
448.31735	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.7
59.01383	19.4
61.98842	1.0
67.01891	0.9
71.01389	12.4
71.29218	1.3
72.99300	0.9
73.02946	2.8
78.95906	2.0
83.01391	1.6
85.02960	4.9
87.00878	1.5
87.04518	1.0
89.02457	5.5
93.03448	2.4
95.01401	3.1
96.96958	2.1
97.02947	1.2
99.00864	1.3
101.02450	5.7
103.95960	0.8
107.01421	4.2
111.00864	2.8
113.02475	4.0
116.92878	7.1
119.03500	2.5
123.00880	13.5
123.04539	0.8
124.01701	1.2
125.02458	19.1
127.00455	0.7
130.97852	0.8
136.98894	1.0
137.02481	5.1
139.00374	4.8
139.04005	1.0
140.01155	3.2
141.01939	1.6
141.18921	0.8
144.29605	0.8
151.00401	12.0
151.03908	0.8
153.01900	1.2
161.04552	1.7
167.03525	2.7
168.00648	2.9
169.01443	25.7
177.02074	0.9
179.03535	1.6
179.05600	1.6
181.04944	0.9
197.02780	1.0
211.02477	3.5
271.04617	3.5
281.14499	1.0
313.05777	1.8
447.15100	100.0
448.15433	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	447.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.7
59.01353	2.6
68.69765	0.6
71.01369	2.2
71.28229	1.1
78.95901	4.5
83.05032	0.8
85.02954	7.4
85.06585	1.5
87.04502	5.1
95.05007	1.2
96.96952	0.8
97.02951	0.8
97.06622	1.0
99.08221	0.8
107.01366	0.7
109.02967	6.8
109.95667	0.6
111.04527	92.9
112.04860	2.7
113.02438	1.8
113.06114	1.1
113.09734	11.7
113.56627	0.7
121.02939	1.2
122.03761	0.8
123.00896	10.3
125.06096	4.9
127.00352	1.4
133.02934	0.9
135.08150	1.3
137.02477	1.2
139.03996	0.9
141.01942	2.7
141.05550	0.8
143.07147	1.4
149.00124	1.3
150.03230	1.1
151.04002	1.1
151.07602	1.1
152.99579	2.9
153.09212	2.2
155.07135	1.8
164.04620	0.7
166.06348	2.1
167.07173	1.2
167.10768	0.8
169.29170	0.6
177.05573	0.9
177.09247	1.2
179.07144	10.5
180.07646	0.9
181.08714	100.0
182.09102	4.5
183.02997	56.8
184.03334	1.5
191.03566	1.0
191.07121	0.9
193.08743	4.5
194.91583	0.7
195.06604	2.6
195.10281	5.6
197.08212	14.8
205.08716	0.9
206.05875	2.2
207.06525	1.5
209.08228	2.1
211.06192	9.5
211.09767	16.3
211.11635	1.1
211.13400	2.6
212.10069	1.5
219.06546	1.1
219.10297	0.9
220.07310	0.8
220.11189	0.6
221.08220	1.4
233.08194	11.9
234.08580	1.1
235.13434	0.7
239.09399	1.4
245.11833	1.0
246.09238	0.7
247.13461	1.5
248.10524	10.4
249.11061	0.8
255.02908	0.9
258.09067	1.0
263.12866	7.2
265.14435	2.0
271.02539	2.7
273.11411	5.1
276.10104	3.6
289.14917	0.7
291.12405	35.1
292.12665	2.6
300.02811	4.0
301.03644	3.2
317.10538	1.2
345.28098	1.7
357.28229	0.7
359.18665	3.6
383.29834	1.9
385.31442	3.5
402.31015	1.1
403.17468	4.0
403.32175	3.0
429.15634	0.9
429.22659	1.0
446.30145	2.6
447.08347	1.2
447.14774	5.5
447.31354	46.8
448.31851	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	447.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.1
57.03449	2.9
59.01384	100.0
61.98839	3.3
63.39560	1.1
63.53212	1.2
68.67124	1.1
71.01388	33.9
71.28398	2.0
72.99300	1.7
73.02961	11.9
75.00843	1.2
83.01384	5.3
85.02957	16.2
87.00896	2.5
89.02451	16.6
95.01377	5.1
97.02953	2.1
99.00886	4.4
101.02451	27.0
109.02974	3.1
113.02463	13.7
119.03522	7.7
121.02989	2.1
123.00924	1.7
123.04552	2.9
123.08157	1.1
124.01700	2.1
125.02473	2.0
133.05130	1.6
135.04459	1.6
137.02470	13.1
139.04007	1.2
143.03459	1.9
151.00467	1.6
151.04021	4.4
152.04814	8.8
153.05586	3.7
159.03046	2.8
161.02568	1.5
161.04555	11.7
165.05551	1.9
167.03571	2.1
167.07149	5.6
179.03474	3.2
179.05630	2.6
179.07079	1.4
181.05089	74.1
182.05414	2.9
194.05952	1.6
196.07426	68.4
197.04588	1.7
197.07765	3.4
207.13914	1.8
209.08202	8.8
211.09773	91.0
212.06923	6.1
212.10052	4.1
225.14842	2.6
227.09274	9.6
242.02238	1.6
258.01624	1.9
259.02664	1.3
267.12366	2.4
269.10254	4.9
273.00485	1.5
287.02066	2.0
314.00778	4.7
314.98373	1.3
315.01395	7.9
358.12781	3.3
373.15033	59.1
374.15451	4.3
387.04041	2.8
387.20322	3.4
401.14493	4.8
406.46255	1.2
412.48224	1.3
447.05780	2.2
447.13550	2.9
447.18933	3.3
466.66077	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
69.08980	0.2
69.09263	2.3
71.05035	0.5
79.01901	1.3
85.02962	0.3
85.06627	0.8
87.04547	0.5
95.05021	2.4
97.02957	1.9
109.02953	0.4
109.06616	1.7
110.20191	0.3
111.04535	2.7
121.02995	0.5
121.21880	0.3
123.08190	1.8
137.02487	0.4
137.45125	0.3
139.04027	5.4
141.05632	0.4
143.82477	0.3
147.08206	1.0
150.06882	0.6
163.07675	0.5
165.01970	0.7
165.09215	18.5
166.09555	0.7
181.08731	0.3
183.06650	1.2
191.07124	1.3
193.08701	0.9
207.06604	0.4
209.08200	100.0
210.08537	6.0
211.06201	0.3
211.09770	0.3
231.74928	0.3
237.11310	0.5
263.09048	0.3
263.12851	1.1
427.63004	0.2
428.11682	0.3
429.22778	0.5
440.36295	0.3
447.20102	10.0
447.30560	0.6
448.20941	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84917	0.6
55.01865	0.8
57.03451	2.2
59.01383	100.0
60.01726	2.7
61.01801	1.2
61.98834	19.2
68.98936	4.1
68.99360	3.3
71.01389	25.0
72.01707	0.9
72.02170	0.9
72.99304	2.0
73.01820	0.9
73.02952	6.4
75.37836	0.7
83.01414	2.5
83.05053	0.9
85.02956	8.8
87.00874	1.9
89.02451	17.7
89.02971	1.2
90.02769	1.4
91.01875	0.7
91.02957	0.7
95.01399	1.5
96.06004	0.8
99.00913	2.1
99.04518	1.3
101.02457	15.4
112.94871	0.8
113.02460	12.8
116.92866	2.6
119.03505	6.5
121.02967	1.2
123.00876	1.5
123.04563	1.3
125.02427	4.7
131.03551	1.1
137.02492	1.6
139.00397	0.8
143.03516	2.7
146.06122	0.8
151.04015	1.5
159.03065	2.2
161.04579	10.8
162.04912	1.1
168.99698	2.2
169.01476	2.8
172.01694	0.8
179.05656	4.6
194.05882	0.9
197.02766	5.4
197.04440	0.9
209.08322	1.4
243.03113	0.7
253.07028	0.8
258.01791	1.5
270.22650	0.9
279.28143	0.8
287.02109	1.4
314.00888	1.7
315.01550	2.5
321.44223	0.7
341.35779	0.8
359.08093	4.8
369.18961	0.9
387.20294	5.8
447.13675	1.6
447.18457	1.5
447.23279	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.224
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82915	0.9
55.01899	1.1
57.03456	2.1
58.00591	1.5
59.01384	100.0
59.46701	0.9
61.98824	2.5
64.21475	0.8
66.91507	0.8
69.15676	6.8
71.01389	20.4
71.05049	1.4
72.99306	1.3
73.02966	4.2
83.01382	2.7
85.02966	7.2
85.06615	1.3
87.00887	1.3
87.04525	1.7
89.02457	14.4
89.02971	1.3
93.03480	2.0
95.01389	1.8
99.00947	1.1
101.02458	15.3
101.06063	1.0
105.03474	1.7
109.02953	1.1
111.00903	1.4
113.02467	7.8
119.03520	6.1
121.06652	1.4
123.04540	3.7
125.02455	2.5
127.19145	1.0
129.05592	1.1
133.02948	0.9
135.04524	1.7
135.23735	0.9
136.01649	1.0
137.02472	4.5
137.09724	1.1
149.02467	3.2
151.72321	0.9
153.09189	1.1
161.04539	5.2
165.05594	18.2
166.06053	1.3
168.00688	3.1
169.01474	1.4
179.05655	1.8
183.10286	1.7
209.11894	1.2
210.12254	0.9
211.13478	1.7
256.03836	0.9
281.06628	9.5
281.09085	0.9
284.03284	8.7
285.04083	18.2
285.07236	1.3
285.13370	1.6
286.04373	1.6
295.20612	1.1
299.99191	2.6
309.59775	1.0
315.01511	1.3
387.20477	4.4
447.09470	8.6
447.22531	48.6
448.09738	1.8
448.22626	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	447.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	7.0
57.03455	6.0
57.13726	0.6
58.00587	2.7
59.01382	65.4
62.14709	0.7
67.33379	0.5
69.03461	1.9
69.18360	3.3
69.18766	1.4
71.01386	100.0
72.01710	1.0
72.99310	3.8
73.02950	30.8
75.00868	2.2
76.77956	0.6
83.01387	14.2
84.66805	0.6
85.02956	50.7
85.21966	0.6
86.03286	0.6
87.00890	3.8
89.02450	23.6
95.01392	7.9
97.02972	2.7
98.22587	1.3
99.00887	15.5
100.64066	0.6
101.02448	74.2
102.02793	1.2
104.88347	0.6
105.12299	0.6
107.60179	0.5
113.02459	43.9
119.03496	7.5
125.02461	2.8
129.01953	1.7
129.87915	0.7
131.03513	58.0
132.03856	1.1
143.03506	5.0
149.72214	0.6
151.00398	0.9
159.03006	11.1
161.04567	74.4
162.04918	1.6
165.05563	0.7
179.05602	1.6
202.01483	0.6
205.03540	2.0
211.13431	2.3
241.73309	0.7
255.02928	1.7
257.04459	0.7
271.02429	1.8
285.04068	0.7
300.02783	3.7
301.03445	2.7
314.04321	0.8
315.18118	93.1
316.18396	7.4
359.17145	1.3
447.09137	2.2
447.22260	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	447.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	7.2
57.03454	5.0
58.00600	3.3
59.01382	50.6
59.16203	0.6
69.03455	2.5
69.72182	2.0
69.72576	1.6
71.01385	100.0
72.01755	0.9
72.99310	2.6
73.02950	39.3
75.00874	3.6
79.65952	0.6
81.03483	1.1
81.52347	0.7
81.54653	0.8
82.74023	0.7
83.01394	13.2
85.02955	44.2
87.00886	4.9
89.02448	33.7
95.01386	8.1
97.02968	4.4
99.00892	21.4
99.01548	1.0
99.04540	0.9
100.00043	0.7
101.02451	61.9
102.02821	0.9
109.02979	2.2
111.00922	1.1
112.12667	0.8
113.02456	36.4
114.02764	1.5
115.04033	2.0
119.03545	5.2
121.71258	0.7
125.02473	5.3
131.03513	4.7
139.00362	0.9
143.03500	5.8
149.04581	6.1
151.00330	1.4
159.02985	7.5
161.04562	53.3
162.04900	1.6
166.41083	0.7
179.05663	1.5
183.13896	1.4
191.05615	1.9
205.03531	1.6
205.48418	0.8
211.13425	18.1
212.13754	1.0
233.06676	3.6
243.02882	1.1
253.09251	1.9
255.02985	2.3
271.02539	4.2
285.03845	0.9
285.11337	1.0
299.99564	1.2
300.02695	6.0
301.03445	5.7
306.14026	0.8
315.18130	42.0
316.18466	3.4
447.09470	4.3
447.22318	76.8
448.22559	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	447.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	5.3
57.03455	4.3
57.13275	0.7
57.14666	0.8
57.96867	0.6
58.00588	2.5
59.01381	40.7
68.99825	0.7
69.03455	1.9
69.04036	4.5
69.04437	1.7
71.01385	80.9
72.01712	1.2
72.36221	0.6
72.99304	2.6
73.02951	32.7
74.99126	1.0
75.00874	2.5
78.43893	0.8
79.43497	0.7
83.01393	10.7
85.02955	35.0
87.00872	4.0
87.04559	0.8
89.02449	29.2
95.01382	6.2
96.33046	0.7
97.02988	2.5
99.00885	13.0
99.04501	0.8
101.02449	53.2
102.02805	0.8
103.04018	3.1
111.38953	0.7
113.02462	32.8
115.04039	2.0
119.03523	6.1
119.05029	1.3
121.02942	1.2
125.02455	4.3
129.01982	0.9
131.03505	4.8
136.99193	1.3
137.02528	0.8
137.09753	2.3
143.03516	4.0
149.04587	3.5
155.10791	11.8
159.02994	6.8
161.04561	41.6
162.04904	1.0
165.01947	1.4
165.05609	2.9
178.99927	0.9
179.05589	1.2
181.08716	1.0
191.05553	1.6
199.09752	6.8
205.03539	1.2
211.13350	3.4
221.57191	0.7
233.06737	2.8
241.10884	2.2
255.03035	1.0
271.02594	2.0
281.06873	0.9
285.04562	1.4
285.07809	4.3
300.02731	3.9
301.03598	3.1
314.04404	1.9
315.18134	51.0
316.18463	3.7
361.11328	1.8
381.08591	0.7
447.09723	3.4
447.22522	100.0
447.31952	3.2
448.22961	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	447.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	6.6
57.03456	4.7
58.00585	1.7
58.04927	0.9
58.64869	0.9
59.01384	49.8
59.31709	1.0
61.25444	0.8
62.38549	0.8
66.47826	1.1
66.85844	0.8
69.03452	1.8
69.26400	2.6
69.26821	3.8
71.01388	100.0
72.01723	1.4
72.99302	3.6
73.02951	40.8
75.00858	1.8
81.03461	1.7
83.01389	12.8
84.02200	1.0
85.02960	42.7
87.00429	0.9
87.00874	5.7
89.02451	36.3
95.01402	6.3
97.02995	4.2
99.00884	21.4
99.04529	1.3
101.02451	65.4
107.01431	0.9
109.02962	1.3
111.00922	1.1
113.02459	37.2
115.03998	1.5
117.52689	0.9
119.03523	3.3
119.67269	1.0
125.02415	6.4
129.01950	1.4
131.03520	6.9
143.03539	5.8
149.04562	8.2
151.00406	1.8
159.02992	10.4
161.04573	60.2
162.04916	2.2
163.00447	1.0
177.66000	0.9
179.05655	1.3
190.88396	0.8
191.05634	1.7
205.03448	1.4
211.13391	12.9
229.25365	1.0
231.91090	1.0
233.06693	4.3
241.86057	0.9
253.09268	2.1
255.02908	1.6
259.59305	1.1
271.02557	3.2
293.08603	1.0
300.02707	4.9
301.00522	1.1
301.03320	5.3
315.18127	52.2
316.18481	4.7
447.09320	3.6
447.22330	97.5
448.22687	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	447.2239
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
55.01884	2.2
57.03435	1.1
58.00599	3.0
59.01382	79.6
65.09863	0.5
69.03464	1.3
69.30907	2.5
69.31334	1.0
71.01385	62.7
72.01747	0.7
72.99305	3.3
73.02952	17.0
79.63852	0.6
83.01401	3.3
85.02962	9.5
85.82204	0.5
87.00866	3.0
89.02451	100.0
90.02795	0.9
95.01398	2.0
95.94517	0.5
97.02956	1.8
99.00887	23.5
100.01184	0.5
101.02450	42.9
102.02812	0.8
113.02462	16.5
115.04031	0.6
116.32143	0.5
119.03516	18.8
125.02447	5.2
131.03510	15.8
143.03525	4.5
149.04565	44.7
150.04887	0.9
161.04610	5.8
179.05603	5.5
191.04008	0.7
191.05617	11.7
211.13344	3.7
221.06604	1.4
229.03912	0.5
233.06561	1.3
251.07628	2.4
271.02286	1.3
293.08856	0.9
299.99326	0.6
300.02679	1.6
301.03305	1.9
315.18124	5.4
447.09402	0.7
447.16379	1.0
447.22025	17.2
447.30786	7.6
448.22531	2.7
448.31329	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.7
59.01380	100.0
60.01709	0.8
61.50071	0.6
69.00913	5.5
69.02486	0.6
71.01389	9.0
73.02948	1.1
73.20893	0.7
78.86057	0.6
83.01418	0.8
85.02967	2.4
89.02451	8.5
99.00859	1.1
101.02437	7.2
112.41374	0.7
113.02482	3.4
119.03500	3.5
121.80585	0.7
135.76100	0.6
143.03539	0.6
159.03059	0.8
161.04565	5.1
179.05652	2.2
190.20125	0.7
205.51459	0.6
225.15121	1.5
350.85269	0.8
387.20215	24.8
388.20953	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	447.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89051	1.0
55.01875	3.0
57.03432	3.3
58.00577	1.8
59.01384	94.9
60.01714	1.5
61.98830	1.6
68.13841	1.0
68.58094	1.0
69.68361	5.4
71.01385	36.3
72.01740	1.0
72.99303	2.1
73.02954	10.6
83.01392	7.3
85.02956	16.5
86.00089	1.1
87.00890	3.7
87.18456	1.0
89.02454	19.9
93.03497	1.9
95.01395	3.6
97.35260	1.0
99.00867	4.8
101.01815	1.9
101.02450	27.2
107.62406	1.0
109.02983	2.6
113.02459	12.3
119.03511	6.4
121.02991	1.3
123.00935	2.0
123.04533	1.4
125.02467	3.4
131.03505	1.2
137.02454	12.2
143.03510	2.3
149.04558	1.0
150.03207	1.0
151.00345	1.2
151.03999	2.7
152.04785	6.5
153.05576	1.8
159.02997	2.2
159.22795	1.0
161.04552	12.4
163.03996	1.7
165.05600	2.0
167.07150	5.2
176.04709	1.1
178.06310	1.0
179.03555	1.3
179.05685	4.7
181.05096	40.5
182.05647	1.7
194.05859	1.5
196.07419	35.1
197.04562	1.3
197.07851	2.0
209.08192	7.5
211.09773	57.6
212.06886	5.3
212.10081	2.8
225.15012	2.1
227.09235	8.5
258.01617	1.4
259.02411	1.1
267.12402	2.5
269.10248	6.8
273.00693	1.2
287.01810	1.7
314.00702	4.2
315.01431	4.4
332.17419	0.9
358.12714	2.6
373.15054	100.0
374.15451	10.1
387.03818	1.1
387.20419	6.5
401.14545	5.7
447.14136	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99953	0.7
57.03450	1.4
59.01384	100.0
61.98826	0.7
69.08634	5.6
71.01387	14.0
71.01756	1.2
73.02957	4.7
83.01417	2.2
85.02957	5.1
87.00898	0.9
89.02474	2.5
95.01425	1.3
97.03007	0.9
99.00887	2.3
101.02445	12.2
113.02451	5.5
125.02460	1.9
137.02344	0.7
143.03493	1.4
148.09618	0.7
159.03070	2.0
161.04576	16.7
162.05026	0.7
162.10846	0.8
188.79086	0.7
213.56860	0.8
225.14934	1.6
285.04092	0.9
299.99121	25.7
300.99838	7.4
372.97525	0.8
387.20282	12.1
388.20654	1.3
447.05615	11.6
448.06522	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	3.3
59.01371	1.3
70.77290	1.3
70.77625	0.9
83.05044	1.2
85.02956	100.0
85.06618	0.7
86.03313	1.4
95.05025	1.6
99.08147	2.7
109.02974	2.6
111.04537	1.0
123.08125	1.0
125.02450	1.0
125.06062	1.1
127.07665	2.6
129.05791	0.6
139.03998	3.0
141.05580	1.2
141.09268	1.3
165.09221	8.4
169.08711	82.3
170.09048	3.7
181.08734	1.9
183.06645	1.1
191.07248	0.8
193.08702	7.9
195.06635	0.8
209.08186	38.5
210.08545	1.9
211.09753	21.7
212.10023	0.8
214.20807	0.7
243.27744	0.8
244.11510	0.7
263.12933	1.3
371.29364	2.0
385.30966	1.1
415.28540	2.0
447.19809	6.3
447.31082	10.1
448.31323	2.0
448.94037	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.4
57.03449	0.4
64.99483	0.3
66.64436	0.3
69.40144	2.1
71.05032	0.6
77.03934	0.4
79.01891	1.6
79.12413	0.3
81.22768	0.4
83.01402	0.4
83.05067	0.4
85.02964	6.3
85.06601	2.1
87.04519	0.4
92.02642	0.4
95.05044	2.6
97.02964	1.4
109.02961	1.6
109.06588	1.2
111.04518	3.3
113.06105	2.2
121.02930	0.7
123.08215	2.2
125.02439	0.9
125.06086	0.5
137.02486	0.3
139.04033	5.8
141.05577	0.9
141.09236	0.7
147.08192	1.0
150.06833	0.5
153.09286	0.6
155.07150	8.1
155.10744	0.6
163.07646	0.5
165.01958	1.0
165.09229	19.9
166.02715	0.6
166.09531	1.1
169.08734	0.8
179.07133	3.5
181.08707	1.2
183.06630	1.1
183.10252	0.5
191.07150	1.2
193.08704	2.6
195.06685	0.8
197.08194	7.8
203.51299	0.4
209.08205	100.0
210.05005	0.3
210.08545	5.1
211.06107	0.5
211.09891	0.8
221.08200	0.5
223.09802	1.0
234.05359	0.5
263.12930	5.8
264.13135	0.5
277.10782	1.2
277.14209	0.4
291.16092	0.4
300.02661	0.4
386.37424	0.4
415.28577	0.4
429.22754	1.6
447.19675	5.3
447.24088	8.7
447.31287	0.7
448.19720	0.7
448.24918	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.7
69.21182	0.8
69.21584	1.8
71.05018	0.8
78.95908	0.4
79.01884	0.8
85.06585	1.3
85.50036	0.3
87.04507	0.3
95.05029	2.7
96.96014	0.3
97.02927	1.8
98.21841	0.7
109.06586	1.1
111.04556	1.6
117.19248	0.3
121.02950	0.6
123.08212	1.7
137.88091	0.3
139.04013	6.3
147.08160	0.8
149.00113	0.4
150.06924	0.5
163.07657	0.5
165.01923	1.0
165.09218	21.2
166.09605	0.8
172.36790	0.3
183.10258	0.8
191.07144	1.5
193.08681	0.5
209.08199	100.0
210.08551	4.8
217.12364	0.7
219.13896	0.6
263.12912	9.4
264.13297	0.5
271.02600	0.4
271.69839	0.4
284.03070	0.4
285.04269	0.5
301.03610	0.4
360.88159	0.3
447.10117	0.9
447.23959	23.4
447.30453	1.3
448.24207	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	447.2388
Annotation	Ugaferin
Peak:m/z	Relative Intensity
50.75201	0.4
51.86370	0.5
57.03433	0.6
59.01371	0.5
69.29525	1.6
69.29933	0.8
78.95885	0.8
80.04037	0.4
85.54078	0.4
91.57684	0.5
97.06599	0.4
107.05062	0.7
107.73106	0.4
108.70548	0.4
111.57372	0.4
116.71373	0.4
117.03470	1.1
121.03013	0.6
132.02158	0.9
133.02965	23.8
134.03786	5.5
135.04536	33.3
136.04848	0.9
136.08931	0.5
137.02467	2.7
139.04027	0.9
142.14047	0.4
152.99567	1.6
161.02455	100.0
161.43262	0.5
162.02826	3.3
179.03511	10.8
180.03845	1.4
190.52234	0.5
236.96811	0.5
267.19693	1.2
285.20764	9.8
286.21042	0.6
345.27805	0.7
389.27020	0.5
415.89536	0.4
429.22821	2.0
447.23975	49.1
447.31137	16.6
448.24326	5.8
448.31381	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	447.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01263	0.9
57.03446	1.3
59.01382	7.2
62.96408	1.4
70.69680	0.8
71.01394	1.8
71.29877	0.9
77.98465	0.8
78.95911	58.3
83.05030	1.4
89.80116	0.9
96.96967	3.0
97.06622	1.3
99.00887	38.0
106.46236	0.9
117.01965	1.0
147.82581	1.0
149.00111	20.1
149.09824	1.2
152.99599	15.7
155.07158	10.6
158.92560	1.6
179.01205	4.1
185.06120	0.8
205.16113	1.5
275.20053	4.1
276.08798	0.9
285.04071	1.7
291.23364	1.4
299.99130	1.3
300.99472	0.8
327.23138	1.1
329.24869	26.6
329.28748	1.6
330.25302	2.8
373.23975	2.5
385.27588	5.6
403.24701	1.1
417.12238	1.4
429.26556	13.5
430.26758	1.8
431.10010	1.9
447.13513	100.0
447.27209	46.7
448.13821	10.5
448.27417	4.3
455.27084	1.0
468.21097	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2762
Annotation	16-Feruloyloxypalmitate
Peak:m/z	Relative Intensity
60.39920	0.5
66.24244	0.7
69.07896	0.4
69.08155	4.1
78.95911	15.0
91.82326	0.5
95.05041	1.3
96.96979	1.7
105.03473	5.0
110.98565	1.0
117.03463	1.2
121.02996	1.2
132.02182	8.4
133.02979	22.5
134.03775	13.7
135.04549	6.6
137.02455	4.7
139.03999	1.9
147.04512	0.8
147.77164	0.6
148.05316	3.7
149.02461	0.5
149.06041	1.3
150.03200	1.0
150.98062	0.7
152.99603	25.5
160.01669	45.3
161.02449	10.5
161.06068	4.5
162.03134	0.5
167.01114	1.2
169.31676	0.5
171.00623	0.9
175.04013	100.0
176.04324	3.7
177.01927	1.1
178.02756	2.4
179.03461	2.6
185.95436	0.5
190.10063	0.8
193.05092	6.9
194.02142	1.2
204.11493	0.9
225.22139	0.8
233.08264	1.4
247.09767	2.3
261.11371	1.2
271.22784	10.9
272.22986	1.1
275.12955	1.3
279.23303	11.5
280.23666	0.8
285.04041	0.8
289.14517	1.8
303.16034	1.6
317.17630	1.8
331.19180	1.6
345.20630	4.3
346.20920	0.6
347.25870	1.6
359.22232	1.4
415.24789	7.1
416.25055	0.7
447.27518	62.3
448.27866	8.6
450.61670	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3118
Annotation	Xestobergsterol A
Peak:m/z	Relative Intensity
50.60447	1.0
52.72688	0.8
57.03454	8.2
59.01352	1.1
68.59147	0.8
98.22530	1.9
102.19606	0.8
107.54561	0.7
115.01885	0.9
152.99620	0.8
284.03354	1.0
389.27054	2.8
429.30289	1.4
431.77902	0.9
447.31213	100.0
448.31570	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	447.3114
Annotation	Xestobergsterol A
Peak:m/z	Relative Intensity
57.03453	1.3
59.01389	7.2
61.98832	0.6
69.30377	3.6
71.01382	1.3
73.02946	1.5
83.01382	0.8
83.05011	1.0
85.06601	0.8
87.00872	1.2
87.04515	1.3
94.07061	0.7
95.05068	0.9
96.96042	0.9
97.06590	0.8
99.00886	1.9
106.11851	0.8
109.02998	1.2
111.04549	1.6
113.02464	1.0
123.08192	1.3
125.02458	1.2
137.02464	1.5
149.02484	0.8
151.00362	0.9
152.99554	0.7
165.05684	1.0
169.01404	0.7
179.07242	0.9
181.08693	3.3
183.06674	1.2
195.06676	1.5
197.36371	0.6
198.13120	0.8
209.08214	2.6
211.06215	0.7
211.13411	2.6
225.07748	1.9
255.03043	1.2
271.02560	3.2
279.12427	0.9
300.02808	6.1
301.03473	4.9
301.14798	0.7
328.08499	0.7
331.26559	0.7
339.15320	0.7
347.23157	0.9
357.27997	1.1
359.29810	1.0
367.30142	1.4
379.84760	0.6
383.29593	1.2
385.27307	1.7
385.31265	2.4
389.06641	1.5
403.32321	26.7
404.32813	3.0
413.27106	0.8
429.30365	1.7
433.58701	0.7
447.10403	9.0
447.31351	100.0
448.31821	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3118
Annotation	Xestobergsterol A
Peak:m/z	Relative Intensity
51.98742	0.4
58.41149	0.3
59.01369	1.1
60.99308	0.6
62.96424	0.5
64.98954	0.4
69.05194	0.4
71.01353	0.4
71.27786	0.4
72.62684	0.5
72.76900	0.4
78.95909	12.7
85.02958	0.5
96.96956	0.7
97.06579	0.4
99.00861	2.6
102.54076	0.4
111.04527	5.6
113.09683	0.5
149.00099	6.0
151.67288	0.4
152.99619	2.7
155.45839	0.4
157.37646	0.4
158.92607	0.5
165.09195	0.6
179.01183	0.5
181.08740	4.8
183.03062	2.7
195.06496	0.4
195.10028	0.4
197.08195	0.8
205.15923	0.4
209.08174	1.0
211.06090	0.6
211.09894	0.4
211.13335	0.8
221.08185	0.4
233.08183	0.8
248.10585	0.5
252.45470	0.4
255.03049	0.6
264.13855	0.4
271.02466	0.9
291.12442	2.2
300.02740	0.7
301.03439	1.2
329.24921	1.6
337.25391	0.5
341.24609	0.6
353.28488	1.4
355.26364	0.5
357.28003	0.9
371.29504	14.4
372.29919	1.9
373.31137	26.7
374.31494	3.0
383.29510	1.1
385.31204	8.5
386.31445	0.7
391.32071	0.7
403.32339	3.3
404.32767	0.7
417.29990	0.6
429.30826	0.7
431.10260	0.6
447.13644	24.8
447.31165	100.0
448.13904	2.6
448.31577	13.8
454.50406	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.312
Annotation	Xestobergsterol A
Peak:m/z	Relative Intensity
59.01373	1.0
71.01384	0.8
71.09210	0.3
71.28102	0.4
73.59383	0.3
75.90420	0.3
101.02466	0.4
101.26598	0.3
111.04546	1.3
113.02470	0.3
125.02503	0.4
135.04572	0.3
151.00356	0.5
163.50999	0.3
167.03549	0.6
179.07199	0.4
181.05086	0.6
181.08746	0.4
195.02992	0.5
195.06741	0.4
209.08192	1.3
211.06068	0.4
211.13466	1.5
214.04839	0.4
223.06097	0.7
233.49585	0.3
239.05588	0.6
255.03008	0.7
271.02530	0.9
300.02771	2.1
301.03445	1.6
385.27631	0.9
397.27695	0.7
399.29178	2.3
401.30624	5.8
402.31091	0.7
403.32455	3.0
417.26523	0.5
447.09604	1.1
447.31262	100.0
448.09912	0.6
448.31589	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	447.3122
Annotation	Xestobergsterol A
Peak:m/z	Relative Intensity
57.03445	0.7
57.98329	0.6
59.01366	2.3
61.98806	0.7
71.01359	1.3
71.05034	0.7
71.27798	0.7
78.35372	0.5
78.95906	0.9
85.02944	0.7
85.06629	0.6
86.98177	0.6
87.04511	4.4
93.03464	1.4
95.01471	0.9
96.96040	1.1
97.06599	0.6
99.00898	2.8
99.84368	0.7
99.92540	0.8
108.97708	0.5
109.02987	1.2
111.04528	1.8
117.03517	0.8
119.05042	0.6
121.02942	3.3
122.03782	1.7
123.04529	0.8
125.02487	1.7
125.06123	0.6
125.09770	0.6
133.23384	0.6
137.02397	0.7
138.03322	0.7
145.02959	0.8
149.02466	14.7
150.03253	15.3
151.00352	1.8
152.99634	0.7
163.00296	0.6
163.03943	0.7
164.04799	1.9
165.05577	17.1
165.09222	1.0
166.05962	1.2
169.01447	1.9
169.25664	0.5
179.03342	0.5
179.07237	0.8
180.04298	1.1
181.08752	1.1
195.06659	9.0
209.08180	3.2
211.06047	0.9
211.13472	2.0
220.91624	0.5
221.08287	1.2
225.07770	1.0
235.05933	0.6
237.07539	0.8
243.02960	0.9
251.20334	1.0
255.03027	2.3
271.02548	2.3
272.02969	0.7
285.04257	0.6
300.02719	5.8
301.03522	5.0
321.16815	0.7
357.27997	0.9
359.29837	0.8
365.28931	1.0
371.14371	0.8
373.31406	1.4
381.28073	2.6
383.29770	3.4
384.16040	1.9
384.30502	0.7
385.16412	0.8
385.27087	1.4
385.31314	10.4
386.31531	1.6
389.07593	0.6
391.28568	0.7
399.18176	7.8
399.28918	3.0
400.18436	1.2
401.30649	4.9
403.28278	3.8
403.33102	0.9
425.27243	1.5
427.28702	2.3
429.15295	0.5
429.30328	3.1
430.30212	0.7
445.29910	1.9
447.09418	4.0
447.31262	100.0
448.31601	11.7
452.55618	0.6
473.29141	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.312
Annotation	Xestobergsterol A
Peak:m/z	Relative Intensity
53.90440	0.3
54.59371	0.4
57.03466	0.5
57.30468	0.5
58.00606	0.4
59.01380	1.8
61.98825	0.7
71.01373	0.4
71.05064	0.5
71.27861	0.7
73.02950	0.5
76.20733	0.4
78.95917	3.1
83.01363	0.7
85.02964	1.0
85.06609	0.6
87.04514	0.8
89.55963	0.5
95.05010	0.8
96.70609	0.4
101.02498	0.5
109.02973	0.9
111.04545	6.4
123.08186	0.7
125.02505	0.8
145.03008	0.6
145.46750	0.4
151.00409	0.8
152.99588	5.6
153.01949	0.6
155.07249	0.5
163.04007	0.7
165.09154	1.0
169.01439	0.5
177.03598	0.4
179.07118	0.7
181.05202	0.4
181.08780	1.1
183.02975	3.2
183.06633	0.5
193.08614	0.6
197.08186	0.6
206.05923	0.9
209.08266	2.9
211.06133	0.7
211.13464	3.4
221.08246	1.1
222.08583	0.4
223.09770	0.7
225.07751	0.7
233.08209	1.6
235.09837	0.5
237.07726	0.7
247.09813	2.6
248.07121	0.6
248.10474	0.8
249.07776	0.7
255.02950	1.0
261.07755	0.7
263.09482	0.6
263.12766	0.6
271.02521	1.9
288.45120	0.5
291.12445	1.9
300.02774	2.8
301.03452	2.5
321.17343	1.5
331.15421	0.5
335.18741	0.5
343.26538	0.5
359.30002	0.8
369.28241	0.5
375.14645	0.8
383.29617	2.1
385.27200	0.8
385.31290	7.0
386.31451	1.3
399.29303	1.5
401.30545	5.9
402.31003	0.7
403.32343	14.8
404.32596	2.0
429.15146	0.6
429.22482	0.5
447.09677	1.8
447.31265	100.0
448.31659	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	448.0731
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89648	1.0
57.03450	9.0
59.01090	2.2
59.01383	41.3
60.01709	2.2
61.98835	43.7
63.88554	1.1
66.33121	1.0
66.76970	1.2
69.03470	3.0
71.01392	9.0
71.28171	1.4
78.21051	1.0
81.03501	1.8
83.01420	1.4
85.02957	2.5
86.19266	1.0
89.02438	7.6
92.75379	1.1
93.03482	3.2
95.01412	3.1
97.02966	2.1
101.02460	2.6
103.00385	22.7
107.01411	7.8
108.02292	1.2
109.02992	6.4
113.02499	2.3
116.92896	4.8
117.92890	1.7
119.03507	1.9
121.02968	6.0
122.03836	1.4
123.00900	9.8
123.04546	6.1
124.01698	3.0
125.02458	100.0
126.02800	5.4
133.03006	1.6
135.04523	3.6
137.02463	8.5
139.00363	1.4
139.04001	3.7
147.04520	1.9
149.02473	4.7
150.03003	1.3
151.00366	5.2
151.04056	9.8
159.77994	1.1
161.02437	7.1
161.04620	2.3
163.00362	1.8
163.04062	1.6
164.01184	2.0
165.01950	3.3
165.05571	6.4
166.02696	2.2
167.03513	20.4
167.95656	1.1
169.01440	54.6
170.01830	3.6
175.04007	3.9
177.01944	20.8
178.02298	1.1
179.05649	2.2
179.07112	1.5
193.01532	3.9
193.03566	19.5
199.04019	1.8
201.01936	1.7
201.05576	1.4
201.62497	1.3
205.01485	1.3
205.05048	2.0
219.06656	1.2
227.03516	2.1
227.07130	3.8
229.05070	1.5
231.02855	1.4
237.30069	1.3
242.05835	1.2
243.02925	6.4
243.06747	2.2
245.04573	1.4
245.08263	1.8
255.03003	3.8
256.03635	2.4
266.69446	1.1
269.04581	3.8
271.06070	1.9
283.02371	1.4
285.04062	3.2
286.04465	2.0
287.05707	4.5
289.07114	5.9
290.07715	1.5
297.04315	1.3
303.05112	4.3
305.06952	1.3
315.12180	1.3
315.98691	1.7
316.02225	1.4
319.04666	9.6
320.04803	2.0
361.16586	16.6
362.17175	1.7
370.19611	1.4
372.06845	1.5
407.07706	12.7
408.08102	2.3
423.07178	3.0
449.09250	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	448.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28000	1.7
57.03450	3.3
57.59657	1.7
59.01387	4.6
61.76494	1.6
61.98846	3.4
65.00350	2.5
69.17982	8.5
69.18389	5.4
71.01382	2.1
73.02963	2.4
80.37366	1.8
81.03469	7.0
85.02953	2.9
85.06585	4.1
87.04512	2.8
95.01394	3.7
95.05028	2.7
97.02949	3.7
107.01431	6.1
109.02929	2.4
109.06609	6.2
111.00902	3.5
111.04526	21.6
112.04910	2.0
113.09756	9.0
123.00888	4.4
123.08167	3.4
124.01660	1.8
125.01539	3.3
125.02455	63.6
125.06020	1.8
126.02813	4.5
127.00400	2.3
137.02504	3.9
139.00333	3.6
139.04028	4.8
140.01208	2.2
143.03508	2.0
144.69942	1.9
151.00366	4.7
151.07666	31.8
152.08018	2.4
161.02472	5.5
162.02792	3.1
165.09239	8.6
167.03511	3.3
167.07130	2.3
168.00613	3.5
169.01443	63.4
169.05124	2.8
170.01814	3.0
170.05362	1.9
177.01814	1.8
177.05666	2.1
181.05077	5.2
181.08722	52.3
182.05414	2.7
182.09064	8.1
193.04974	3.4
194.05531	2.7
195.06641	100.0
196.06970	8.4
197.04477	3.4
200.18840	1.9
207.06746	3.3
208.07047	3.2
209.08218	43.1
211.06102	22.9
212.06480	15.1
221.07953	2.2
223.06502	2.4
225.07645	2.7
228.23576	2.0
232.02995	5.9
235.06116	5.3
236.06599	2.8
248.06889	2.3
248.10423	2.3
249.07440	3.7
249.11327	3.0
254.06168	6.9
261.07742	2.6
263.09305	2.9
263.12872	9.6
278.11584	2.0
291.12509	3.6
292.12875	3.7
295.04678	5.8
303.35815	2.4
313.05676	22.4
330.06708	77.8
330.56821	16.0
331.06979	4.6
372.13187	10.9
372.63138	3.9
376.18582	4.7
431.13312	2.4
447.30838	3.7
448.14249	18.5
448.24283	14.9
448.31464	10.8
448.63947	9.5
449.21158	9.3
449.31824	2.5
464.39331	2.3
465.06662	16.3
466.07217	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	448.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29929	0.2
57.03445	0.2
59.01378	2.1
61.98833	100.0
63.91187	0.2
71.01393	1.1
71.29046	0.3
73.02969	0.4
85.02974	0.5
85.05748	0.2
87.00867	0.4
89.02451	0.4
95.05056	0.2
99.00946	0.2
101.02463	1.0
108.02223	0.4
109.02994	0.2
111.04537	0.4
113.02470	0.4
119.03493	0.2
121.02984	0.4
125.02475	0.4
131.03397	0.2
139.04054	0.8
163.06238	0.2
169.70583	0.2
179.07196	0.5
179.10811	0.9
181.08714	0.2
183.06656	0.4
191.03766	0.2
195.06697	0.3
207.10324	0.3
223.09766	5.7
223.11795	0.4
224.10243	0.3
287.02115	0.3
300.08401	0.2
301.00101	0.2
301.03476	0.5
302.03891	0.4
313.14606	0.4
315.01495	1.1
316.02026	0.2
317.19821	0.9
343.10297	0.4
347.04358	0.2
357.28296	0.2
369.73447	0.2
375.29282	0.4
385.14847	1.0
401.27008	0.3
448.09943	0.3
448.22705	0.4
449.18320	0.4
449.23965	0.4
449.29123	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	448.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83879	1.2
56.28485	1.0
57.03421	1.0
59.01388	8.0
61.98834	100.0
70.10039	2.5
71.01398	7.9
73.02940	1.6
76.36514	1.1
79.03301	1.1
83.01389	1.4
85.02951	3.4
89.02454	2.6
91.32536	1.0
91.76704	0.9
93.03465	37.9
99.33518	1.2
101.02439	5.7
107.01387	1.3
108.02186	1.3
109.02938	2.1
113.02465	3.7
119.05039	1.9
121.02972	1.4
122.03783	1.1
123.04502	3.4
125.02489	2.3
135.04602	1.4
137.02457	81.9
139.04056	6.4
151.00368	2.2
161.02249	1.0
161.04616	2.5
163.00536	1.0
165.01866	1.5
165.05627	1.6
165.49251	1.2
166.02275	1.5
167.03474	3.6
179.10715	1.3
219.01192	1.2
223.09767	4.5
255.02969	1.9
256.03360	2.0
257.04483	1.4
258.75970	1.1
271.02469	2.8
272.02914	5.1
281.06747	2.0
285.07178	2.5
286.04340	3.4
286.07986	7.5
287.22321	2.0
300.02695	2.8
301.03210	11.5
302.03857	10.7
303.04041	1.6
314.04160	2.0
315.04712	4.0
385.15073	2.2
403.92456	1.2
448.09332	12.4
449.10635	5.6
449.27859	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	448.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.0
59.01184	0.5
59.01388	5.5
60.01707	0.9
61.01815	0.8
61.98835	100.0
63.28157	0.6
67.55695	0.6
69.13632	5.0
71.01381	1.8
80.90580	0.6
83.01395	0.9
85.02969	0.8
89.02480	1.0
95.99230	0.6
101.02460	0.7
105.96323	0.6
109.67046	0.6
113.02469	0.9
114.52264	0.7
121.02988	1.0
125.02451	8.7
149.02464	1.1
151.00424	2.4
153.09229	1.3
165.01970	2.6
178.99921	1.4
215.07265	0.7
224.13612	0.7
259.06146	9.3
269.04556	7.3
270.02179	0.7
271.02512	1.3
287.02710	1.1
287.05756	4.7
316.02374	1.6
386.19238	1.0
388.19727	1.2
428.97769	0.7
449.11578	5.7
469.80286	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	5.3
58.00602	2.8
59.01383	52.4
61.98837	2.1
71.01385	40.0
71.28445	1.9
72.99327	2.5
73.02946	7.3
74.99109	1.9
78.71852	1.8
83.01380	3.2
85.02950	12.0
87.00856	2.0
87.04514	3.1
89.02453	35.8
93.03448	3.4
95.01401	5.6
99.00900	2.6
101.02449	23.0
107.01389	3.8
109.02959	3.0
111.00883	3.3
113.02451	18.1
115.92072	3.9
116.92881	7.5
119.03503	16.6
120.99660	5.0
121.02964	2.4
123.00880	14.8
123.04528	2.4
124.01212	3.6
125.02465	21.2
126.02782	6.9
137.02496	4.3
139.00401	4.9
143.03494	3.9
149.02525	2.1
149.09700	5.2
151.00386	6.9
151.03984	2.5
152.00784	4.9
153.01924	2.4
153.09195	2.1
161.04568	7.7
167.03488	2.1
167.10776	14.5
167.20793	1.8
168.00613	2.5
169.01437	21.1
170.01775	7.9
171.41965	1.8
175.04105	2.9
177.01984	2.4
179.05638	7.4
183.10716	1.7
200.01205	3.6
203.03554	3.1
215.03587	1.8
216.00627	3.7
217.05173	2.3
217.14427	1.8
225.05725	2.9
225.15143	1.8
229.01422	1.9
243.02956	2.8
243.16071	3.8
244.00169	3.5
253.05043	2.3
254.05879	5.8
259.06125	4.6
266.67001	1.9
269.08121	9.1
281.91104	1.9
287.02304	3.3
287.05692	5.6
287.09259	10.5
287.18698	4.6
300.99814	3.0
377.47250	1.8
405.21213	12.7
414.36877	1.9
421.07788	6.0
440.81146	1.9
448.15497	100.0
449.06912	11.6
449.15240	4.8
449.19901	5.9
449.24014	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	448.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
64.00774	12.2
67.20721	12.5
67.89214	11.8
68.81065	11.4
69.28128	100.0
69.47558	12.6
71.44393	11.6
81.36451	13.6
169.85371	14.6
176.61705	12.5
182.39569	12.7
212.52768	14.3
222.79411	12.7
281.24905	95.5
293.81754	13.9
297.41336	15.1
449.32748	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	449.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40800	0.8
59.01380	20.9
59.07533	0.8
61.98522	0.9
61.98834	16.0
65.00345	1.4
70.27449	0.8
71.01383	6.4
73.02937	1.4
75.05766	0.9
83.01385	1.0
85.02955	1.8
89.02454	5.8
94.45245	0.8
95.01354	1.7
101.02443	3.5
107.01389	0.9
109.02965	1.9
110.00096	9.9
111.00932	4.2
113.02455	2.0
119.03487	3.4
123.00900	1.9
125.02459	3.9
129.55434	0.8
129.95090	0.8
137.99557	4.4
139.00371	13.1
148.01674	0.8
151.00378	2.0
155.05061	1.0
161.04579	1.8
165.99081	11.3
166.52815	0.9
166.99898	7.6
171.04526	2.0
174.03156	1.6
175.04004	0.8
178.99838	10.5
186.03229	1.3
190.02631	0.8
190.94968	0.8
193.98462	1.3
194.99263	3.0
198.03203	3.0
199.03998	2.3
201.01851	1.7
206.99284	1.9
214.02753	0.9
215.03596	1.8
216.04105	1.0
226.02652	2.7
227.03542	4.3
231.03035	1.3
232.03793	0.9
241.01541	0.9
242.02190	7.1
243.02969	8.8
244.03612	1.9
255.03065	0.9
259.02505	5.9
259.06006	3.1
260.03055	1.2
269.04568	2.8
270.01678	12.1
271.02487	54.7
272.02817	2.8
287.01996	55.7
287.05447	3.4
288.02557	5.6
299.01907	2.0
316.02240	100.0
317.02921	23.5
318.03412	1.3
389.21735	2.0
449.07227	97.7
450.07678	10.0
461.39069	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1088
Annotation	Aromadendrin 4'-glucoside
Peak:m/z	Relative Intensity
57.03453	8.5
59.01380	19.9
61.98833	100.0
62.98535	2.2
63.99255	1.2
65.00328	3.5
65.75858	0.7
66.01275	0.7
69.14304	4.5
69.14721	1.9
71.01389	7.7
73.02936	1.8
81.03461	1.3
83.01398	5.2
85.02943	2.6
89.02454	7.8
93.03479	1.5
95.01429	1.2
98.21796	1.5
99.00903	1.1
101.02470	5.1
103.15038	0.8
107.01381	4.5
109.02978	1.4
110.00100	3.7
111.00927	1.5
113.02447	3.6
117.03444	1.3
119.03497	3.1
121.02978	3.0
123.00927	2.0
123.04472	0.9
125.02454	57.6
126.02805	1.5
133.02913	1.2
135.04532	1.1
135.50514	0.8
137.02432	1.7
137.99583	2.4
139.00423	4.8
139.04018	1.3
140.78827	0.9
143.80360	0.9
149.02454	5.6
151.00369	15.4
152.01126	3.3
153.01924	3.6
155.04996	0.8
161.04567	2.1
163.00436	1.7
165.01965	4.6
165.99081	4.5
166.99898	2.0
167.03468	1.0
169.06551	1.1
171.04556	0.9
172.05283	1.4
173.06088	2.2
176.01125	1.1
177.05602	1.6
178.99889	10.8
179.03477	4.0
179.05598	2.0
197.06129	2.0
198.03160	1.1
199.04008	2.5
201.05669	2.1
215.07172	3.5
225.05602	2.1
241.05122	1.2
243.03017	2.6
243.06586	3.8
259.06116	45.3
260.06427	3.0
269.04544	41.5
269.07507	1.2
270.01651	4.1
270.04980	2.4
271.02478	15.2
272.02887	1.0
287.02014	17.2
287.05630	33.1
288.02487	2.5
288.05872	2.1
316.02246	28.4
317.02820	7.3
318.03345	1.0
341.05292	1.0
395.79800	0.9
449.06543	12.3
449.11014	26.9
449.24106	2.4
450.06424	1.4
450.11783	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	23.2
66.90443	2.0
67.25722	1.6
71.01382	8.3
71.28526	2.5
72.99324	2.2
73.02940	2.5
75.00905	2.7
81.03476	2.1
85.02945	8.0
87.00892	2.0
89.02436	4.6
95.01405	3.8
96.37458	1.5
99.00910	4.2
101.02493	3.0
103.39976	1.6
107.05019	8.8
108.02184	96.9
109.02982	48.3
110.03248	1.6
112.24753	1.5
113.02460	7.5
121.02943	1.7
123.00919	5.0
123.04507	3.9
125.02453	2.6
133.02933	1.7
135.04538	21.8
137.02483	2.9
137.09744	2.4
147.04572	1.8
149.06003	2.0
151.04002	18.2
152.01158	61.0
153.01941	26.9
155.10793	23.6
161.04654	2.3
163.04030	2.6
165.01930	2.7
165.05550	1.7
175.03815	1.7
180.07947	19.3
193.08696	4.8
199.09726	4.1
208.07451	9.6
212.04735	2.9
215.03581	2.2
217.05064	1.8
221.08220	4.3
227.03661	3.5
227.07141	4.3
227.12856	3.9
241.05212	1.7
241.08763	2.0
255.03020	1.8
256.03836	5.4
259.09552	1.7
267.06781	1.8
269.04480	1.6
269.08218	6.6
269.13998	3.7
270.05453	1.5
270.08676	1.6
271.02377	1.8
271.09756	3.8
273.13455	4.2
284.06982	7.7
285.07614	5.5
286.08588	3.0
287.15005	12.4
296.06989	2.9
297.07574	5.2
299.09308	24.0
300.09558	1.9
301.10684	2.7
310.08429	3.2
311.09280	13.9
312.09897	4.5
313.07077	3.5
314.08002	22.9
315.08676	9.7
316.02271	3.0
325.10779	2.2
326.11679	4.4
327.08801	11.2
327.12244	2.8
329.10269	30.8
329.16174	2.5
330.11121	25.2
331.11749	4.8
341.10376	1.8
342.11182	4.1
343.11826	2.2
344.12689	36.7
345.13440	100.0
346.13733	9.4
353.20151	1.7
357.13480	38.6
358.13846	4.6
419.17221	33.3
449.10876	94.1
449.17484	52.3
450.11075	8.3
450.16843	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	449.1094
Annotation	Aromadendrin 3-galactoside
Peak:m/z	Relative Intensity
54.57750	1.2
55.01872	2.8
57.03440	5.1
59.01383	63.9
61.98828	10.8
65.00326	1.9
68.99819	1.9
69.03439	2.0
69.25072	8.7
69.62434	1.1
71.01388	39.2
72.99299	3.0
73.02953	10.0
81.03463	2.5
83.01363	7.3
83.05045	1.4
85.02958	16.0
87.00895	2.9
89.02455	24.0
93.03458	35.8
94.03824	1.2
95.01379	7.0
95.90742	1.2
96.99310	2.0
97.02965	2.5
98.22530	2.3
99.00889	3.2
99.04536	4.6
101.02453	27.3
101.03117	1.4
107.01407	2.0
108.02199	8.3
109.02959	7.0
113.02450	19.2
113.06103	1.4
119.03503	11.5
119.05063	1.8
121.02950	3.5
122.02825	1.5
122.03746	54.5
123.00876	6.0
123.04543	37.2
124.01665	11.4
125.02458	43.6
133.02989	14.2
135.04527	14.7
136.01660	5.5
137.02457	89.7
138.02808	2.9
139.00351	1.4
139.02988	1.4
143.03459	2.5
147.04510	1.4
149.02449	2.9
149.04550	1.5
149.06044	2.0
150.03264	1.7
151.00418	8.1
151.04053	2.0
152.01134	7.5
153.01958	2.0
161.02455	34.6
161.04483	8.2
164.04669	1.4
165.01944	3.0
167.03453	1.7
169.01448	4.3
173.06035	1.8
177.05540	3.2
178.99883	3.1
179.03549	6.9
179.05615	6.6
181.20258	1.2
191.03586	1.8
193.05046	1.2
201.05533	2.9
203.03616	1.5
206.84529	1.1
215.07170	1.9
221.04605	3.1
227.13007	1.4
229.14511	1.2
243.06718	7.6
259.06116	21.5
269.04587	5.6
269.13919	2.4
275.11029	1.4
281.06671	64.5
282.07208	2.6
287.05621	20.7
287.08777	2.1
287.15054	3.2
287.18597	1.8
313.05801	1.8
319.44458	1.3
323.07736	3.9
389.21710	2.4
405.11917	80.4
406.12186	7.8
431.09821	6.3
442.40906	1.2
449.10901	100.0
449.19547	2.7
449.24023	6.7
450.11267	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	449.1094
Annotation	(2R)-5,7,3',4'-Tetrahydroxyflavanone 6-C-glucoside
Peak:m/z	Relative Intensity
59.01381	4.5
65.03938	1.1
67.01902	0.9
69.03450	4.3
81.03482	1.8
83.01378	2.3
83.51079	0.8
91.05560	1.2
93.03475	2.1
95.01387	1.9
97.02944	4.6
101.02433	1.1
108.02167	2.4
109.02966	18.8
121.02970	1.2
123.00872	8.7
123.04508	2.1
124.01679	22.8
125.02460	59.4
126.02827	1.4
135.04547	8.2
136.01593	0.9
137.02490	4.5
139.04047	1.5
149.02405	1.0
149.99605	39.8
151.00346	3.3
151.03993	1.0
152.76257	0.9
153.01979	11.7
156.64186	0.9
167.03459	4.2
168.00653	65.5
169.01389	5.7
313.05722	2.7
387.48276	1.0
427.22314	1.0
431.09940	3.9
440.15884	1.0
449.10919	100.0
450.11285	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	449.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	2.0
63.59317	0.6
65.00313	1.0
69.43448	3.6
71.01388	1.2
79.68874	0.7
81.03460	1.0
83.01359	0.7
85.72464	0.7
93.03508	0.9
98.22532	1.0
107.01401	2.5
108.01486	1.3
108.02185	18.7
109.02959	100.0
110.03284	2.0
123.00911	2.0
123.04540	0.8
135.04521	6.5
137.02448	1.9
151.00410	8.2
151.04036	3.3
152.01160	17.8
153.01945	68.7
154.02277	2.1
155.10768	1.8
172.08485	0.7
228.36749	0.7
244.22588	0.7
287.05676	5.7
287.08908	1.5
297.06204	2.8
343.20065	0.7
449.10898	71.3
449.20831	2.8
450.11273	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	449.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13498	0.3
59.01366	1.1
59.28596	0.3
61.98830	0.6
65.03947	0.3
69.15347	2.0
71.01386	0.7
79.63592	0.3
81.03445	0.3
83.01375	0.3
87.00780	0.3
93.03462	44.0
94.03796	1.3
96.96038	0.5
101.02484	0.5
108.02177	3.6
109.02962	3.1
110.00086	0.6
113.02467	0.3
117.94340	0.3
121.03008	0.4
122.03753	1.3
123.00875	0.5
123.04535	6.4
125.02465	1.8
130.56821	0.3
133.49725	0.3
135.04565	0.3
135.46864	0.2
137.02454	100.0
138.02792	3.2
139.00398	0.7
139.03947	0.3
141.01906	0.3
151.00368	0.4
152.01169	1.9
153.01985	2.1
153.05583	4.7
153.94054	0.2
161.02475	0.7
165.99081	1.4
167.03494	3.7
169.01456	0.5
177.01955	0.5
182.92856	0.3
195.02991	0.5
209.08333	0.3
210.05345	0.4
213.05434	0.3
223.06119	0.4
225.07704	1.1
239.05621	0.5
241.05093	0.3
268.36581	0.3
269.04422	0.3
281.06662	1.3
287.05624	1.7
303.04160	0.4
405.11884	0.9
449.10941	9.0
449.23660	0.4
450.11172	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08564	0.4
61.15556	0.4
69.25971	0.7
69.26379	1.6
71.69951	0.4
73.38666	0.4
80.75876	0.4
81.03455	0.8
93.03477	3.0
96.47112	0.5
108.02184	100.0
109.03020	12.2
121.02982	1.2
123.04513	0.5
133.03015	0.7
135.00909	0.5
135.04587	0.7
137.02452	12.6
138.02814	0.5
145.80476	0.4
149.02293	0.4
151.04008	3.4
152.01166	49.5
153.01965	16.3
154.02263	0.5
163.04008	2.0
165.01971	0.7
207.02628	0.6
297.06219	0.7
413.37390	0.4
416.01682	0.4
449.10931	54.8
450.11313	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	449.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59234	0.5
57.03448	1.1
59.01385	3.0
61.98838	0.7
65.00321	0.9
69.09527	4.2
78.80560	0.5
78.95894	0.6
80.33797	0.5
81.03458	6.4
83.01382	3.6
93.03471	8.8
95.05020	1.4
96.95995	3.1
121.02934	0.7
123.04532	34.7
124.04842	1.0
125.02443	6.2
129.30835	0.6
131.01410	0.8
135.08144	0.7
137.02461	19.4
138.02731	0.6
147.04520	0.7
149.02426	3.0
151.00391	1.0
151.04048	1.2
163.03972	0.8
167.03503	100.0
168.03784	3.2
175.00345	2.3
179.03438	0.8
181.05092	1.1
191.03514	31.8
192.03853	1.0
209.04543	4.8
221.04495	0.8
233.04596	1.8
251.07126	1.6
251.63931	0.6
267.06619	0.7
274.01706	0.6
295.06113	8.6
310.08475	2.3
311.07730	1.3
325.10791	5.6
326.11301	0.7
340.07492	0.6
449.11090	4.4
449.29141	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.5
65.03938	1.1
67.01902	0.9
69.03450	4.3
81.03482	1.8
83.01378	2.3
83.51079	0.8
91.05560	1.2
93.03475	2.1
95.01387	1.9
97.02944	4.6
101.02433	1.1
108.02167	2.4
109.02966	18.8
121.02970	1.2
123.00872	8.7
123.04508	2.1
124.01679	22.8
125.02460	59.4
126.02827	1.4
135.04547	8.2
136.01593	0.9
137.02490	4.5
139.04047	1.5
149.02405	1.0
149.99605	39.8
151.00346	3.3
151.03993	1.0
152.76257	0.9
153.01979	11.7
156.64186	0.9
167.03459	4.2
168.00653	65.5
169.01389	5.7
313.05722	2.7
387.48276	1.0
427.22314	1.0
431.09940	3.9
440.15884	1.0
449.10919	100.0
450.11285	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	449.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	23.2
66.90443	2.0
67.25722	1.6
71.01382	8.3
71.28526	2.5
72.99324	2.2
73.02940	2.5
75.00905	2.7
81.03476	2.1
85.02945	8.0
87.00892	2.0
89.02436	4.6
95.01405	3.8
96.37458	1.5
99.00910	4.2
101.02493	3.0
103.39976	1.6
107.05019	8.8
108.02184	96.9
109.02982	48.3
110.03248	1.6
112.24753	1.5
113.02460	7.5
121.02943	1.7
123.00919	5.0
123.04507	3.9
125.02453	2.6
133.02933	1.7
135.04538	21.8
137.02483	2.9
137.09744	2.4
147.04572	1.8
149.06003	2.0
151.04002	18.2
152.01158	61.0
153.01941	26.9
155.10793	23.6
161.04654	2.3
163.04030	2.6
165.01930	2.7
165.05550	1.7
175.03815	1.7
180.07947	19.3
193.08696	4.8
199.09726	4.1
208.07451	9.6
212.04735	2.9
215.03581	2.2
217.05064	1.8
221.08220	4.3
227.03661	3.5
227.07141	4.3
227.12856	3.9
241.05212	1.7
241.08763	2.0
255.03020	1.8
256.03836	5.4
259.09552	1.7
267.06781	1.8
269.04480	1.6
269.08218	6.6
269.13998	3.7
270.05453	1.5
270.08676	1.6
271.02377	1.8
271.09756	3.8
273.13455	4.2
284.06982	7.7
285.07614	5.5
286.08588	3.0
287.15005	12.4
296.06989	2.9
297.07574	5.2
299.09308	24.0
300.09558	1.9
301.10684	2.7
310.08429	3.2
311.09280	13.9
312.09897	4.5
313.07077	3.5
314.08002	22.9
315.08676	9.7
316.02271	3.0
325.10779	2.2
326.11679	4.4
327.08801	11.2
327.12244	2.8
329.10269	30.8
329.16174	2.5
330.11121	25.2
331.11749	4.8
341.10376	1.8
342.11182	4.1
343.11826	2.2
344.12689	36.7
345.13440	100.0
346.13733	9.4
353.20151	1.7
357.13480	38.6
358.13846	4.6
419.17221	33.3
449.10876	94.1
449.17484	52.3
450.11075	8.3
450.16843	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	449.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	11.0
67.01872	0.6
69.01221	4.3
69.03435	0.6
71.01380	5.6
72.99313	0.5
73.02952	0.6
79.01906	1.0
83.01383	1.5
85.02959	2.1
87.00890	1.5
87.04573	0.5
89.02441	3.9
91.65984	0.5
95.01389	2.1
97.02955	0.8
101.02457	4.2
107.01393	5.6
111.00902	1.9
113.02472	2.1
117.05583	0.7
119.03527	1.4
123.00891	14.3
123.04539	0.6
124.01716	0.9
125.02454	19.6
127.00372	0.8
135.06662	2.7
136.98874	0.7
137.02428	1.2
139.00368	4.4
140.01161	2.6
141.01950	2.2
143.03470	0.7
151.00368	8.6
153.01851	0.7
153.05589	1.5
155.03474	0.9
161.02466	0.7
161.04640	0.6
165.01981	1.0
166.02654	0.5
168.00739	3.2
169.01431	28.5
170.01779	1.1
174.83615	0.6
175.04005	0.6
182.19823	0.6
185.07973	0.5
199.04311	1.0
211.02504	7.0
249.06204	0.6
259.05957	0.6
269.04535	1.4
271.04578	7.6
272.04874	0.6
287.05618	0.8
313.05679	2.1
383.19687	0.5
449.13010	100.0
450.13345	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	449.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64551	0.5
59.01377	5.3
66.70751	0.4
69.12790	3.6
71.01398	0.9
73.02964	0.6
81.03458	1.4
82.65134	0.5
85.02940	0.8
89.02452	0.6
93.03450	3.5
95.01394	0.6
101.02434	0.6
108.02180	100.0
109.03009	14.9
110.00039	0.7
111.00877	2.1
113.02464	0.9
121.02940	1.7
122.03743	1.6
123.00949	0.8
123.04510	3.3
123.66260	0.6
124.01622	0.9
125.02431	0.8
133.02942	0.9
134.03726	2.6
135.04553	2.3
136.05266	0.5
137.02458	11.8
138.02766	0.5
149.02528	0.5
149.06091	1.6
150.03214	3.0
151.00409	1.2
151.04021	5.5
152.01157	46.4
153.01958	15.1
157.07948	0.5
159.04486	1.3
160.05278	1.5
161.02513	0.6
163.04002	2.8
165.01878	1.2
165.05563	1.0
167.03516	1.8
173.06065	1.0
185.06012	0.8
186.06709	0.7
187.03979	0.8
188.04704	1.1
201.05513	1.5
202.06339	2.2
209.06165	0.8
210.06815	1.1
211.03992	1.0
212.04829	0.8
213.05490	0.7
215.07211	0.5
225.05629	1.0
226.06326	1.5
227.07155	0.9
229.05013	2.5
239.03549	3.0
240.04204	2.1
243.03038	0.9
243.06578	1.0
244.07384	0.9
253.05046	1.1
254.05856	6.7
255.06618	2.9
256.07230	1.0
257.04541	3.0
271.06030	1.4
272.06812	5.4
287.09250	91.0
288.09601	7.4
341.88486	0.5
449.10788	51.0
450.11194	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1456
Annotation	Trifochalcanoloside I
Peak:m/z	Relative Intensity
55.01901	0.8
57.03457	0.5
59.01378	3.1
61.98806	0.7
65.00342	0.5
69.33710	3.3
71.01386	2.2
71.05025	3.1
72.99294	0.5
79.01910	1.9
81.03456	1.4
81.85896	0.6
83.01398	3.2
85.02930	0.7
92.15980	0.5
93.03460	11.8
95.01440	0.5
95.05031	12.3
97.02950	3.6
98.21755	0.7
101.02452	1.2
111.04530	1.1
113.02444	0.7
119.05026	6.2
121.02972	1.6
122.03761	1.2
123.04571	0.6
125.02453	1.0
135.04498	1.0
137.02499	0.8
137.06097	26.3
138.06435	1.4
139.04019	26.9
140.04318	0.5
145.02991	0.6
149.06088	1.2
161.04622	0.6
163.04051	3.0
165.01974	2.4
165.05602	1.0
177.05531	0.8
181.05075	75.0
182.05389	3.3
189.05472	0.9
193.05061	8.5
205.05110	1.5
225.09354	0.6
243.10255	0.8
287.09259	100.0
288.09647	7.0
311.09332	0.7
387.14270	1.2
449.14206	0.9
449.28094	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	449.1503
Annotation	Suvorexant
Peak:m/z	Relative Intensity
59.01378	5.5
61.98844	1.3
62.96099	1.6
62.96415	29.0
69.04726	9.7
77.90395	1.2
78.95911	63.1
79.66700	0.9
80.97009	2.0
80.97477	31.8
81.16641	1.0
92.78444	1.1
96.96017	2.5
98.22538	2.0
108.02100	1.0
117.29098	1.1
147.67302	1.0
149.00113	15.1
164.80417	0.9
176.20813	1.0
179.01175	1.4
205.15994	9.4
242.98212	5.9
267.15805	1.1
285.12540	1.8
347.26312	1.0
355.16785	19.6
356.17004	1.6
385.17905	20.5
386.17987	2.2
449.15045	100.0
449.28427	11.1
450.15524	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	449.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.0
59.01376	9.3
62.96418	28.3
70.09621	1.2
71.29358	1.1
78.95910	64.6
80.97473	36.7
88.19145	1.3
91.85941	1.3
96.96005	1.6
110.99734	1.1
135.04539	1.4
149.00085	17.9
156.38052	1.3
161.02486	2.5
179.01233	2.1
205.16020	10.3
234.86391	1.4
242.98271	5.1
285.12680	2.5
355.16833	17.2
356.17258	1.7
385.17868	22.6
386.18103	1.9
449.15057	100.0
449.28638	22.8
450.15213	8.1
450.29449	4.2
461.46332	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43205	6.6
57.03432	7.5
59.01138	7.0
59.01382	100.0
61.98819	18.8
69.32771	34.6
71.01390	68.1
73.02945	15.5
74.99129	6.0
75.00857	5.8
83.01405	8.5
85.02934	32.2
89.02458	63.0
98.21755	8.2
101.02443	41.8
108.02166	8.0
109.02917	8.7
113.02444	21.0
119.03484	21.0
120.99678	7.5
125.02418	26.5
137.02457	15.6
149.99556	6.2
151.04025	7.4
152.01135	15.1
161.04544	14.8
167.03488	21.8
169.01524	8.2
199.85382	6.7
227.09337	9.5
259.06134	11.9
269.13919	14.7
287.05612	11.7
287.18573	13.4
341.25702	6.8
369.08304	12.6
389.14624	10.3
445.88199	6.5
449.20502	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16362	5.8
59.01378	100.0
61.67839	5.8
66.21552	6.2
69.19211	5.2
69.42388	35.3
71.01384	54.7
73.02946	11.3
75.00874	12.5
80.22256	5.9
82.96422	6.0
85.02944	17.4
89.02456	67.6
95.01448	5.5
98.22496	12.4
101.02456	36.5
109.02987	6.2
113.02464	25.6
119.03490	35.4
121.02950	9.0
123.00932	7.0
125.02422	17.3
137.02434	9.9
152.01208	6.0
161.02449	8.5
161.04604	11.8
165.01895	9.2
177.02081	8.4
179.03644	5.9
179.05476	8.1
183.36224	6.3
194.05812	7.5
199.04396	36.2
209.08189	16.2
253.90277	6.2
259.06009	8.7
269.08023	7.5
269.14020	10.3
287.05530	9.2
318.32309	6.2
361.09796	12.7
386.92676	7.3
449.10944	10.4
449.15314	13.2
449.20462	39.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07202	0.6
55.01887	0.9
57.03435	2.9
59.01099	0.9
59.01382	17.3
65.00321	1.7
67.01886	0.7
68.67493	0.6
68.99798	0.8
69.03463	1.0
69.09060	4.7
70.19914	0.7
71.01388	12.9
72.99316	4.8
73.02941	2.9
75.00879	10.2
83.01390	2.8
85.02953	13.4
87.00879	6.1
89.02448	4.0
95.01373	3.5
96.95975	1.3
98.22471	1.5
99.00883	8.3
101.02402	0.9
103.00378	1.0
107.01405	3.9
108.02193	1.0
109.02953	2.2
111.00867	1.9
113.02464	13.7
115.00381	2.2
117.01936	2.8
121.02919	0.8
123.00868	1.3
123.04530	4.6
125.02451	9.7
126.02782	1.4
129.01955	1.4
131.03484	0.8
135.08168	1.3
137.02438	2.6
137.09717	7.5
139.00360	0.9
150.03165	1.9
150.37105	0.7
151.00383	11.9
151.03978	2.7
152.01074	2.2
153.01991	1.6
153.05566	2.5
155.10786	79.2
156.11115	2.5
157.01448	2.0
161.02444	1.0
165.01880	0.8
167.03445	1.0
169.01469	3.2
170.01666	0.8
175.02455	2.7
175.03868	0.9
177.01952	1.6
178.99869	2.2
181.08882	1.5
192.31479	0.7
199.09770	15.6
209.11777	0.9
211.43121	0.6
227.12959	1.6
231.04997	1.2
249.06149	15.0
269.04572	1.5
269.13846	1.3
273.13431	12.6
274.13742	1.4
285.04007	6.4
286.04257	0.9
287.05377	0.7
287.15018	5.3
303.05066	2.5
387.16501	2.4
431.15710	3.3
449.16623	100.0
450.16946	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	449.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.3
58.12393	1.0
59.01382	100.0
61.98829	2.5
64.92219	0.9
68.06583	0.8
71.01386	9.1
71.28146	1.2
72.99307	1.4
83.01366	1.6
85.02955	2.7
87.00888	2.6
87.04506	0.9
89.02436	6.1
95.01370	2.4
96.96020	1.4
96.97015	1.1
97.02962	1.7
101.02445	5.8
102.98582	2.8
107.01403	4.4
108.02200	0.9
109.02965	2.8
111.00880	2.1
111.74255	0.9
113.02425	4.3
117.05537	1.0
119.03483	1.6
120.99662	1.2
121.77378	0.8
123.00901	10.1
124.01672	1.3
125.02466	21.8
135.06645	1.9
137.02522	5.1
139.00343	2.9
140.01160	2.9
141.01917	1.6
149.02357	1.0
151.00362	8.7
151.04007	1.1
153.00150	1.0
153.01904	2.9
153.05528	1.0
154.00874	6.7
155.01736	5.9
161.02434	1.9
161.04559	1.9
163.03984	1.8
165.01912	2.0
165.05560	2.4
168.00647	2.9
169.01431	25.4
175.04002	0.9
177.01929	1.7
179.03526	11.7
180.04288	1.8
187.00404	1.5
194.05843	11.6
195.06410	1.2
199.04358	5.3
209.08202	11.7
211.02451	4.8
225.05592	1.0
227.09248	10.9
237.58418	0.9
243.84183	0.9
249.06177	1.1
259.06201	1.8
269.04474	1.2
271.04715	6.8
283.04953	3.5
287.05536	2.8
313.05701	2.3
317.07071	6.1
361.05914	3.5
449.12994	77.9
450.13235	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	449.203
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	3.8
58.00583	1.7
59.01383	97.1
69.14496	11.2
69.14893	3.3
71.01391	19.0
85.02939	4.0
89.02448	18.6
93.03483	1.7
95.01375	1.8
99.04528	7.8
101.02456	11.1
113.02449	6.7
119.03497	6.4
135.04549	9.9
137.02528	2.3
142.73254	1.6
151.00360	12.8
152.01152	2.1
165.12837	3.4
167.03487	3.0
180.59360	1.6
185.74608	2.0
207.13951	9.7
209.11836	28.8
225.15050	11.6
227.12862	4.6
251.12859	7.4
262.07520	2.1
269.13971	100.0
270.14233	4.5
278.27679	2.0
287.05591	12.8
287.14987	10.0
346.19235	1.6
354.21698	2.1
361.16620	1.9
389.17984	3.0
404.52231	1.9
449.20248	73.0
450.20703	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	449.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.4
59.01380	89.9
59.65757	0.9
60.01709	1.6
61.98841	2.0
69.03458	2.0
69.09293	5.9
71.01385	18.3
72.99320	1.4
73.02954	6.2
78.17513	0.8
81.15663	0.8
83.01369	4.0
83.04940	0.8
85.02948	6.5
87.00865	1.1
87.04519	1.5
89.02444	10.4
91.14648	0.9
94.06161	0.8
95.01416	1.5
99.00871	1.0
99.04532	2.9
101.02452	13.6
103.03376	0.9
108.02167	2.8
109.02953	3.1
109.06538	1.0
113.02457	8.5
119.03513	3.0
123.00892	0.9
123.04550	7.4
125.02427	3.7
129.90282	1.0
130.50514	1.0
131.38292	0.7
135.04514	2.1
137.02406	1.6
145.02969	2.4
151.03993	1.0
152.01186	2.5
153.01967	1.0
155.10728	1.0
159.02931	1.0
161.02502	2.1
161.04543	6.8
165.12869	1.7
178.27335	0.8
179.05623	1.7
180.07944	1.9
207.13934	2.9
208.07335	1.1
209.11792	6.1
225.14937	8.3
227.12888	32.9
228.13210	1.9
251.07196	2.0
251.13008	1.8
252.07924	1.0
254.05878	1.4
256.03738	0.9
269.08212	16.1
269.13956	11.1
269.17001	1.6
270.08783	1.1
284.06921	1.1
287.15018	100.0
288.15256	7.2
293.13943	1.2
297.07745	1.0
299.09299	2.5
311.09464	1.5
311.15103	1.6
314.08112	2.3
315.08722	1.1
327.08694	1.4
329.10367	1.4
329.16156	4.1
330.11093	2.6
342.11264	0.9
344.12686	3.2
345.13513	10.2
357.13474	2.7
359.17099	2.3
389.17984	1.1
405.21292	2.2
419.17139	3.1
449.11603	4.7
449.19040	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	449.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91211	0.9
61.02758	1.1
74.99078	12.2
83.86414	1.0
91.02213	13.4
93.00134	8.7
98.21716	1.8
126.30414	1.0
159.08476	100.0
160.08681	3.9
161.06413	12.3
177.09601	1.7
216.06923	1.0
240.08101	1.1
401.62106	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.9
59.01371	1.2
61.98813	1.2
62.96405	6.2
65.39922	0.5
69.03453	0.6
69.69083	2.3
72.01724	0.5
78.95901	12.7
80.97485	6.8
81.03460	40.7
82.03793	1.4
83.01350	2.5
83.05051	0.7
85.02966	1.1
87.04510	9.6
97.02991	0.5
111.04500	1.0
113.08955	0.6
113.09730	12.2
117.03568	0.6
125.02459	14.2
125.06178	0.6
137.02417	0.6
143.03510	1.5
149.00136	3.2
151.00378	1.8
166.06294	1.5
169.01358	0.6
169.05139	1.5
170.86253	0.5
177.05351	0.6
179.07091	0.8
181.08716	100.0
182.09064	4.2
183.06635	1.8
187.83730	0.5
195.06593	1.2
197.08136	0.9
205.16026	1.4
213.07697	65.6
214.08051	3.0
225.07796	1.2
242.98213	0.6
297.11340	1.0
301.25629	0.6
343.15601	0.6
355.12976	0.7
355.16666	3.7
385.17853	4.2
387.29214	2.3
388.72592	0.6
405.19141	1.1
449.15094	17.6
449.21942	1.7
449.28452	4.4
450.15500	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.6
59.01374	0.9
61.71493	0.5
62.45932	0.3
68.99837	1.0
69.91839	0.4
69.92188	1.4
71.01381	1.2
73.02942	0.6
81.03453	0.4
83.05042	0.5
85.02952	2.4
85.06586	0.4
96.99306	1.4
97.06585	0.8
99.00894	6.0
101.06105	2.3
108.02180	0.6
109.02950	1.2
109.06618	0.7
111.00881	6.1
111.01605	0.6
111.04556	0.7
113.06121	0.8
113.09728	13.5
115.07687	0.7
123.08154	0.4
125.06072	0.7
125.09763	0.4
127.07664	17.1
129.01964	0.5
139.07646	0.6
141.09283	0.6
143.07101	0.4
151.07671	3.3
153.05579	0.5
155.07133	0.9
166.06364	1.2
167.07166	1.1
169.08685	2.4
171.06641	1.6
181.08714	100.0
182.09041	4.7
194.34615	0.4
195.04805	0.6
195.06627	10.6
196.07088	0.7
199.06137	1.0
211.09805	0.6
213.07693	43.0
214.07996	1.5
267.12350	1.4
328.17633	0.4
331.26480	1.5
360.89526	0.3
387.28989	1.3
431.28204	1.8
449.22394	1.0
449.29059	12.1
450.29578	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89398	0.8
56.99858	0.8
59.01369	2.0
61.98828	2.9
64.37844	0.8
69.48641	4.2
72.23677	0.7
74.29112	0.7
74.55049	0.8
78.95911	57.4
87.46093	0.7
96.96952	5.4
105.70901	0.8
113.12994	0.8
116.92867	1.0
133.02908	0.7
150.98033	2.1
152.99597	100.0
153.99934	1.4
161.02469	1.4
171.00653	2.8
215.31155	0.7
249.14896	1.1
365.19400	1.3
449.22427	7.6
449.28238	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.24
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76502	1.6
57.03444	3.3
59.01385	100.0
60.01715	2.5
61.98835	11.7
65.00322	1.8
69.54037	7.5
71.01382	21.7
72.99294	1.6
73.02943	6.1
83.01389	4.5
85.02966	6.4
89.02448	5.1
93.03453	6.3
95.01397	3.6
97.03002	1.8
99.00901	4.3
101.02454	18.4
108.02158	2.6
109.02969	15.5
111.00861	2.4
113.02478	5.8
117.03504	1.8
121.02957	2.6
122.03753	7.1
123.00867	8.6
123.04507	3.9
124.01729	2.5
125.02471	18.2
133.02972	2.4
135.04547	2.2
136.98857	1.6
137.02475	12.7
138.03233	5.2
139.00372	7.7
139.03935	1.5
143.03433	1.7
149.02467	3.7
150.03117	1.9
151.00366	6.1
151.03955	2.0
152.01126	3.1
153.05602	3.8
159.03120	2.0
159.04524	4.7
161.02431	4.7
161.04596	14.6
163.00401	2.1
164.00981	1.8
165.05516	2.6
167.03516	2.2
169.01437	3.4
173.06104	2.8
177.01970	2.4
178.99869	5.4
183.04454	2.3
189.01981	2.1
191.03377	2.3
197.06108	1.9
201.05672	7.5
205.01527	2.0
205.05124	3.4
214.02725	6.0
215.07126	2.0
217.01347	2.5
218.02158	2.9
225.05511	3.3
232.03677	1.7
233.04526	2.2
241.04988	5.0
242.02174	2.7
242.76466	1.7
243.02905	3.1
243.06606	56.7
244.06923	4.2
259.02469	6.1
259.06113	4.5
269.04593	17.7
270.01648	6.7
270.04507	2.2
271.02539	34.0
272.02866	2.4
281.06628	2.7
287.02020	18.4
287.05624	38.0
288.02646	3.6
288.05920	3.6
293.54941	1.6
299.05542	1.6
299.99124	5.4
300.99637	11.8
301.99628	19.0
303.00388	3.3
316.02234	81.1
316.99301	3.2
317.02863	22.5
329.13910	4.5
371.07529	3.1
386.09961	2.4
387.12915	5.9
389.12448	2.3
389.21771	21.6
390.22055	2.1
401.12338	15.8
402.12573	1.8
405.11984	6.2
413.12320	4.0
419.13712	3.7
431.13483	4.9
449.06589	48.4
450.06662	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	449.24
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76502	1.6
57.03444	3.3
59.01385	100.0
60.01715	2.5
61.98835	11.7
65.00322	1.8
69.54037	7.5
71.01382	21.7
72.99294	1.6
73.02943	6.1
83.01389	4.5
85.02966	6.4
89.02448	5.1
93.03453	6.3
95.01397	3.6
97.03002	1.8
99.00901	4.3
101.02454	18.4
108.02158	2.6
109.02969	15.5
111.00861	2.4
113.02478	5.8
117.03504	1.8
121.02957	2.6
122.03753	7.1
123.00867	8.6
123.04507	3.9
124.01729	2.5
125.02471	18.2
133.02972	2.4
135.04547	2.2
136.98857	1.6
137.02475	12.7
138.03233	5.2
139.00372	7.7
139.03935	1.5
143.03433	1.7
149.02467	3.7
150.03117	1.9
151.00366	6.1
151.03955	2.0
152.01126	3.1
153.05602	3.8
159.03120	2.0
159.04524	4.7
161.02431	4.7
161.04596	14.6
163.00401	2.1
164.00981	1.8
165.05516	2.6
167.03516	2.2
169.01437	3.4
173.06104	2.8
177.01970	2.4
178.99869	5.4
183.04454	2.3
189.01981	2.1
191.03377	2.3
197.06108	1.9
201.05672	7.5
205.01527	2.0
205.05124	3.4
214.02725	6.0
215.07126	2.0
217.01347	2.5
218.02158	2.9
225.05511	3.3
232.03677	1.7
233.04526	2.2
241.04988	5.0
242.02174	2.7
242.76466	1.7
243.02905	3.1
243.06606	56.7
244.06923	4.2
259.02469	6.1
259.06113	4.5
269.04593	17.7
270.01648	6.7
270.04507	2.2
271.02539	34.0
272.02866	2.4
281.06628	2.7
287.02020	18.4
287.05624	38.0
288.02646	3.6
288.05920	3.6
293.54941	1.6
299.05542	1.6
299.99124	5.4
300.99637	11.8
301.99628	19.0
303.00388	3.3
316.02234	81.1
316.99301	3.2
317.02863	22.5
329.13910	4.5
371.07529	3.1
386.09961	2.4
387.12915	5.9
389.12448	2.3
389.21771	21.6
390.22055	2.1
401.12338	15.8
402.12573	1.8
405.11984	6.2
413.12320	4.0
419.13712	3.7
431.13483	4.9
449.06589	48.4
450.06662	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	449.2546
Annotation	Pallidin (sesquiterpene)
Peak:m/z	Relative Intensity
54.06310	0.4
59.01376	2.0
69.54172	2.0
71.01369	0.4
78.65242	0.4
78.95911	6.1
88.36515	0.4
96.96956	0.5
107.05065	0.4
115.34001	0.4
117.03468	1.2
121.32883	0.4
132.02159	0.6
133.02969	21.3
134.03766	7.0
135.04530	32.5
136.04881	1.1
137.02440	2.7
138.09636	0.4
139.04018	1.3
152.99580	11.8
161.02449	100.0
162.02806	4.2
171.00639	0.6
178.02704	0.7
179.03503	10.6
180.03745	0.5
215.79097	0.5
230.83601	0.5
234.77991	0.4
240.10527	0.4
269.21207	0.8
285.20599	0.5
287.22260	9.1
288.22543	0.7
431.24252	3.1
449.25424	65.9
450.25708	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	449.291
Annotation	Lemnabourside
Peak:m/z	Relative Intensity
55.01882	3.4
57.03445	0.7
69.03428	0.7
69.64895	0.8
69.65289	1.1
71.01376	1.2
73.02949	2.0
83.05019	0.7
88.74287	0.4
95.05026	0.8
97.83344	0.4
99.00887	87.3
100.01226	1.3
101.06084	0.6
110.03739	0.6
111.00913	1.0
111.04556	0.7
113.06091	0.7
113.09713	2.0
113.50525	0.5
117.01943	3.2
127.07651	2.7
181.08716	17.7
182.09073	0.6
190.04201	0.4
195.06602	1.7
199.06122	1.4
213.07686	5.9
311.24051	0.5
313.21823	0.6
315.23389	1.3
327.23370	0.7
329.24823	4.2
331.26447	34.6
332.26810	3.9
351.72031	0.7
359.25754	0.6
369.28113	1.3
375.25525	2.0
387.29037	10.6
388.29626	1.1
431.28021	26.1
432.28305	2.8
449.29071	100.0
450.29453	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	450.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	50.8
60.01708	3.4
61.98518	3.4
61.98835	61.8
63.57683	2.2
69.30466	7.0
69.30869	6.8
71.01391	39.8
73.02596	2.9
73.02934	14.6
83.01380	8.5
85.02977	11.5
89.02445	16.9
93.03475	4.3
95.01402	4.1
98.22597	3.8
99.00909	2.6
101.02450	23.3
107.01415	8.4
108.02188	18.2
109.02965	22.3
111.00912	4.0
113.02440	16.3
119.03503	8.6
123.00879	21.2
124.01744	2.6
125.02457	23.6
136.98817	3.1
137.02461	10.2
139.00400	10.2
139.04042	3.1
140.01190	4.5
151.00365	18.2
152.01202	22.3
153.01952	30.7
161.04553	7.6
168.00656	7.2
169.01430	29.4
174.86398	2.4
179.03583	3.4
182.51183	2.6
189.88596	2.1
192.82452	2.4
211.02548	6.9
239.65636	2.8
261.13464	22.4
289.20297	7.2
297.06296	5.7
313.05594	7.0
315.07318	5.7
407.10397	12.5
407.19174	28.6
451.13367	100.0
451.25562	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60934	1.0
59.01373	2.4
67.01888	1.1
69.03441	1.8
69.13454	6.3
71.01379	7.2
85.02933	2.2
93.03467	64.0
94.03815	1.1
95.01369	1.1
97.02938	2.5
101.02428	2.9
102.27773	1.1
107.01415	9.0
108.02190	5.2
109.02971	7.2
111.00866	1.4
113.02407	2.2
123.00906	9.5
124.01633	2.7
125.02459	55.9
127.38756	1.1
135.04515	1.2
136.01526	1.2
137.02458	100.0
138.02699	2.7
139.00429	5.4
139.04033	10.1
140.01074	1.7
141.01978	1.2
151.00423	6.6
151.03967	1.7
152.01216	5.8
152.02176	1.3
153.01987	8.0
167.03448	1.4
168.00635	2.6
169.01440	64.7
169.05054	10.9
170.01671	2.2
179.03444	2.7
211.02336	3.1
241.03453	2.1
271.04514	3.9
281.06604	4.2
291.98517	1.1
299.07709	5.1
300.99893	1.0
313.05676	75.7
314.05832	4.1
315.07031	1.7
331.10303	1.5
407.09811	11.3
408.10312	1.9
411.33179	1.1
451.08633	59.6
452.09161	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	451.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.7
63.02981	0.8
64.64487	0.8
65.03970	1.0
68.57907	0.8
69.03449	1.0
70.94631	0.7
71.01382	1.6
79.72226	0.7
85.02952	1.5
93.03465	48.1
94.03784	0.9
95.01380	2.5
96.96022	2.0
97.02911	1.2
101.02492	0.9
107.01396	4.7
108.02201	2.4
109.02982	4.8
111.00882	1.4
113.02467	1.0
115.02187	1.0
121.02973	1.6
123.00905	9.5
123.04541	1.3
124.01688	8.5
125.02459	35.8
133.02899	1.0
137.02457	100.0
138.02814	3.5
139.00391	3.7
139.04004	2.0
140.01144	2.7
147.04646	1.0
149.02435	1.2
149.99596	10.5
151.00366	3.7
151.04019	3.6
152.01141	1.1
153.01965	2.2
157.42238	0.8
158.52122	0.8
159.04567	0.9
161.02383	1.0
165.01967	1.7
167.03491	2.5
168.00656	28.9
169.01437	34.5
170.01747	1.6
177.01997	2.0
179.03537	3.5
181.01486	1.7
183.03017	1.9
189.01979	2.9
193.01448	16.3
211.02490	33.3
212.02812	1.4
217.01389	2.5
235.02357	1.5
238.72488	0.8
271.67654	0.8
285.67792	0.8
295.04590	3.1
313.05695	32.7
314.05957	2.3
331.06699	11.5
341.02985	1.8
341.06815	3.5
356.05661	1.1
357.06107	2.8
371.07797	2.1
433.07861	1.6
451.08868	44.2
452.09427	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	451.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19598	1.2
59.01376	5.0
61.98812	2.1
65.74055	1.1
69.03441	2.6
70.33250	3.2
71.01387	6.2
73.02968	1.4
79.57217	1.2
81.03459	1.6
85.02939	2.2
92.45689	1.2
93.03460	22.7
94.03773	1.3
95.01373	3.2
95.25301	1.3
97.02956	2.1
98.21796	1.2
101.02445	5.2
107.01405	8.6
108.02194	11.8
109.02955	26.4
110.59816	1.3
111.00896	2.5
113.02455	2.6
121.02974	2.1
123.00884	12.6
124.01649	3.9
124.62379	1.2
125.02456	64.1
126.02775	2.1
135.04475	2.0
136.01620	5.5
136.98824	2.1
137.02460	45.5
139.00372	6.9
139.04031	3.0
140.01161	3.9
149.02469	2.3
151.00410	7.0
151.03993	4.0
152.01170	17.5
153.01955	31.0
154.02255	1.6
165.01865	3.5
167.03510	3.0
168.00684	9.7
169.01437	78.7
170.01700	1.8
179.03528	15.0
181.01358	2.3
183.02937	2.7
193.01430	5.6
200.14409	1.3
207.02824	1.8
209.04582	2.2
211.02505	22.8
234.60846	1.2
238.30557	1.2
239.05528	5.0
241.03575	2.7
243.02812	1.3
253.03523	3.4
273.00473	1.9
289.06888	1.4
297.06107	3.8
300.91440	1.4
313.05630	18.8
314.05988	2.1
315.07285	6.5
391.06665	26.4
392.07294	2.3
407.09686	4.0
451.08759	100.0
452.09033	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	451.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03451	2.3
70.93448	0.9
70.93819	1.4
79.01887	1.2
81.03468	1.2
85.02944	2.3
93.03439	1.3
95.01382	2.8
107.01384	1.7
108.02180	57.7
109.02966	53.2
110.03293	1.2
121.02895	0.9
123.00889	2.2
129.14415	0.8
135.00967	2.4
135.04544	1.0
145.46860	0.8
151.03946	1.0
151.86571	0.9
152.01161	56.9
153.01950	92.6
154.02319	3.0
163.04016	0.9
163.92014	0.9
165.01927	1.0
194.64557	0.9
198.58711	0.8
225.04059	1.0
243.22169	0.8
297.06155	6.1
315.07254	18.0
316.07947	1.3
379.12747	0.9
451.08838	100.0
452.09216	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	451.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44456	0.7
59.36106	0.7
66.16559	0.7
69.03455	2.0
69.47021	0.6
71.01382	1.3
74.69586	0.6
79.01830	0.8
81.03447	1.1
83.01402	1.5
93.03466	43.9
94.03801	1.5
95.01378	1.7
97.02966	2.1
98.21747	1.9
107.01400	1.6
108.02216	0.7
109.02988	1.5
109.50291	0.8
121.02975	1.2
123.00888	10.5
124.01685	21.8
125.02461	40.1
126.02758	0.9
136.01697	0.9
137.02458	72.7
138.02788	2.5
149.02411	0.7
149.99602	38.3
150.55324	0.7
151.00282	2.5
153.27872	0.7
167.03563	1.6
168.00658	83.6
169.01431	10.3
179.03601	0.9
183.04535	0.7
191.19537	0.9
227.03519	6.1
313.05707	23.7
314.06076	1.7
331.06717	41.5
332.07056	3.0
437.06451	0.9
451.08871	100.0
452.09143	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	451.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70928	0.9
54.61119	0.9
59.01382	14.4
59.23647	1.1
68.74413	1.1
69.03446	1.4
71.01386	12.5
73.02945	4.6
77.55209	1.0
83.01350	1.3
85.02960	4.2
89.02448	11.9
93.03471	10.3
95.01375	2.1
97.02943	2.0
98.44051	1.2
101.02448	7.3
107.01396	2.1
109.02955	1.7
113.02449	4.7
119.03537	6.3
122.52252	1.0
123.00888	6.3
124.01686	20.4
125.02464	39.6
126.02747	1.6
137.02461	19.3
143.03496	1.6
149.99609	34.9
151.00128	1.7
151.03983	1.3
153.01933	1.6
161.04538	2.7
168.00659	65.3
169.01392	7.0
179.03584	1.5
179.05537	2.3
281.06696	5.6
289.20270	6.2
313.05652	2.7
331.06772	11.7
433.07703	2.2
451.08783	100.0
451.25662	6.4
452.09167	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	451.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50369	1.8
53.11204	1.6
59.01379	15.8
64.62804	1.6
67.01891	1.6
69.83024	1.6
71.01378	11.7
73.02942	2.8
79.01878	2.1
83.01379	2.4
85.02953	4.0
89.02444	7.8
93.03507	2.6
95.01383	8.7
97.02976	2.7
101.02461	6.9
107.01375	8.5
108.02175	50.4
109.02958	70.0
109.56605	2.1
111.00883	5.1
113.02444	4.9
119.03496	2.4
119.05045	4.0
123.00903	27.3
123.04410	1.8
124.01646	2.7
125.02446	29.6
134.82892	2.0
136.98795	3.7
137.02507	4.3
139.00385	13.0
140.01149	5.9
141.01921	3.1
151.00360	22.2
152.01164	59.6
152.02386	3.1
153.01942	75.8
154.02286	2.8
163.04025	2.8
168.00624	7.2
169.01424	39.2
195.03047	3.2
211.02504	8.7
271.04785	2.9
292.25809	2.0
297.06241	14.5
315.07135	13.3
330.35785	2.1
407.09824	18.0
451.08179	61.5
451.12592	100.0
452.08081	3.6
452.12878	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	451.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87716	0.7
54.70437	0.7
57.03436	1.0
59.01387	4.9
64.17612	0.7
71.01379	3.6
71.29200	0.9
72.84222	0.7
73.02944	1.6
75.05412	0.7
81.08603	0.7
81.29279	0.7
83.01387	1.3
83.69018	0.8
85.02937	1.8
89.02448	1.2
93.03455	9.0
95.01411	1.0
95.05032	1.6
97.02930	0.9
101.02444	3.3
104.34654	0.8
108.02169	2.1
109.02961	25.6
113.02441	1.7
113.73524	0.8
119.05017	1.5
120.99638	1.2
123.00890	3.2
123.04530	14.0
124.01667	3.2
125.02465	5.7
133.02963	3.4
135.04503	1.3
137.02460	12.2
139.03970	1.1
145.02934	2.6
147.04538	4.0
149.02475	1.9
149.99614	3.2
150.03209	1.8
151.04034	7.0
153.01904	1.2
159.04517	1.3
161.02449	7.1
162.03221	1.2
168.00652	6.5
169.01453	3.8
176.01138	0.9
177.00497	1.5
177.01942	21.8
177.73732	0.8
187.04016	1.5
189.01936	53.6
190.02663	9.9
191.03493	9.2
203.03525	7.1
216.00580	8.0
217.01421	34.2
218.01958	2.2
219.02997	12.0
220.03267	0.9
231.03032	9.2
232.03514	1.5
233.04501	1.0
281.04434	1.0
289.07184	3.0
295.04456	1.1
297.07532	1.1
299.05573	1.2
313.05679	7.2
323.05487	1.3
331.06784	3.2
341.06659	100.0
342.06976	8.2
451.09885	23.6
451.19632	4.3
451.29590	1.2
452.10519	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	451.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62113	0.8
59.01377	2.1
61.97520	1.0
65.40880	0.9
67.01872	1.3
69.03439	1.3
70.32780	1.6
71.01385	2.6
75.00874	1.1
80.91689	2.7
81.03456	1.1
82.02187	1.0
85.02963	1.7
93.03472	6.2
95.01358	1.3
95.05027	1.3
101.02467	1.1
107.01370	1.0
108.02177	4.4
109.02965	35.2
113.02430	1.4
119.05031	1.5
121.02922	1.3
123.00875	3.3
123.04547	16.1
124.01681	20.6
125.02486	6.1
133.02957	4.4
135.04446	1.1
137.02475	10.9
139.04034	32.0
139.11284	2.4
145.02948	1.6
146.03697	1.5
147.04497	3.5
151.00432	1.7
151.04041	6.1
152.01141	4.0
153.01958	10.6
153.05525	2.0
159.04414	1.6
160.85370	1.0
161.02472	7.0
161.06059	1.2
162.03209	1.6
163.03929	1.3
167.03510	14.4
169.01408	3.9
173.02440	1.1
177.01950	25.9
187.04033	1.6
189.01953	50.6
190.02724	11.0
191.03514	11.4
201.11292	3.6
203.03474	4.3
216.00735	8.5
217.01440	32.2
217.74994	0.9
218.01994	1.9
219.03033	10.8
231.02975	9.9
232.03520	1.2
281.04428	1.5
289.07254	2.7
296.05219	1.7
297.06143	4.5
297.11252	1.9
299.05515	2.3
302.03400	1.5
311.07858	20.8
313.05731	2.5
341.06680	100.0
342.07050	9.4
357.06073	4.1
451.10596	23.4
451.18396	3.6
452.11288	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	7.0
65.00340	0.7
67.01904	1.7
69.03470	0.9
69.23528	3.2
69.23929	0.9
71.01389	4.9
72.99330	0.9
73.02953	0.7
79.01908	1.1
81.03465	0.7
83.01418	0.8
85.02979	1.9
87.00908	0.6
89.02435	2.7
95.01377	2.7
97.02973	0.7
101.02446	2.9
107.01403	4.7
107.08994	0.6
108.02183	8.0
108.54272	0.5
109.02962	10.3
110.71408	0.5
111.00889	3.6
113.02483	2.1
118.07325	0.5
119.03596	0.6
119.05039	2.4
123.00898	20.9
123.01756	1.1
124.01720	2.1
125.02459	18.7
125.03330	1.1
127.00415	1.3
128.02829	0.6
135.04568	0.7
136.98900	2.1
137.02477	1.1
137.06181	1.5
139.00388	7.3
140.01170	5.0
141.01984	1.9
151.00383	14.1
151.01579	0.8
152.01161	8.6
152.02213	0.6
153.01950	14.1
155.00105	0.7
165.02089	0.5
168.00665	5.6
169.01439	23.8
201.89981	0.5
211.02473	4.2
219.85266	0.5
269.64685	0.6
271.04675	2.8
297.06235	2.5
313.05850	1.4
315.07434	1.8
351.16562	0.6
407.09735	3.8
451.12836	100.0
452.13205	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	451.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.7
59.01387	6.9
66.70584	0.8
69.36640	4.2
69.37043	1.5
71.01378	2.6
81.03484	2.2
83.01387	3.7
85.39686	0.9
87.00959	0.9
89.02436	3.5
93.03486	1.4
95.05051	2.4
97.02927	5.4
101.02457	1.1
109.02952	20.4
111.00815	1.0
113.02447	2.0
119.03440	1.2
121.02935	2.9
123.00882	1.2
123.04522	12.7
125.02455	15.6
135.04567	1.4
137.02457	13.3
139.04027	2.3
145.02945	1.7
146.03748	1.0
147.04445	1.1
147.61151	1.0
149.02440	8.1
150.03236	1.5
151.04021	9.3
152.04321	1.1
159.04521	2.5
160.05307	1.7
161.02469	2.3
161.06082	4.5
162.03181	1.1
163.04013	2.1
164.01166	2.9
165.01926	4.9
167.03439	1.4
172.67883	1.0
175.03931	2.8
175.07622	1.9
175.94681	1.0
179.03497	5.6
187.03975	3.7
188.04787	3.9
192.49423	1.0
199.07704	1.0
201.05609	1.5
202.06250	1.5
203.07152	13.4
204.07454	1.2
205.05072	6.8
221.08153	2.7
227.07188	1.4
245.08173	15.2
246.08566	1.7
247.05969	1.3
271.06009	1.8
289.07208	100.0
289.20242	1.7
290.07483	6.6
298.31332	1.0
313.07153	2.5
345.19315	1.0
451.12213	2.0
451.25650	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	451.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.5
59.01385	8.3
60.94507	0.4
66.92549	0.4
67.01885	1.7
69.03448	1.1
69.13705	3.6
71.01384	7.9
72.99296	0.8
73.02937	1.9
79.01899	0.4
81.03466	1.3
83.01392	2.2
85.02959	3.9
87.00900	0.7
89.02453	3.4
93.03481	1.3
95.01408	2.7
97.02960	1.6
99.00865	0.6
101.02451	4.2
102.02801	0.5
106.04275	1.5
107.01394	9.8
107.05063	0.8
108.02194	1.9
109.02933	2.3
111.00899	3.4
111.04514	0.6
113.02476	3.8
118.16872	0.5
119.03493	1.0
119.05022	2.7
123.00896	19.5
123.04506	0.7
124.01687	3.7
125.02458	45.1
126.02843	1.1
127.00440	1.0
131.03596	0.5
135.04507	0.8
136.98810	1.2
137.02475	1.7
137.06094	30.0
138.03224	2.0
138.06447	0.6
139.00388	7.0
139.04044	1.5
140.01183	3.7
141.01930	1.8
151.00378	11.2
151.04037	1.0
152.01111	1.9
153.01947	2.8
155.03548	0.7
161.02356	0.7
161.04480	0.6
167.03568	2.7
168.00652	3.5
169.01436	57.2
170.01781	1.7
175.04233	0.5
179.03522	0.9
179.05551	0.6
194.58121	0.5
211.02452	0.9
253.03676	0.9
264.95706	0.6
281.92078	0.5
289.07123	1.3
297.06152	0.8
311.07776	2.3
313.05655	14.2
451.12540	100.0
452.12878	10.8
452.18768	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1249
Annotation	Epicatechin 3-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
57.03437	1.5
57.52676	0.5
59.01383	0.8
61.98820	1.0
62.49267	0.5
68.57065	0.5
69.36630	2.8
69.36900	0.7
69.37073	0.4
71.01372	0.8
73.33445	0.5
81.03448	1.8
83.01389	2.9
83.63592	0.5
89.02431	0.8
93.03475	1.5
93.16017	0.5
95.01384	0.6
95.05037	2.5
97.02959	4.1
98.22540	1.2
107.05019	0.6
108.11815	0.5
108.54887	0.4
109.02961	17.7
121.02941	2.4
122.03744	0.8
123.04538	14.0
125.01546	1.1
125.02456	15.2
135.04529	2.2
137.02452	16.5
138.02811	0.7
139.04031	3.1
145.02928	1.1
146.03670	0.8
149.02475	4.0
150.03152	0.8
151.04018	7.9
159.04529	2.1
160.05298	0.9
161.02444	3.7
161.06070	4.7
162.03206	1.7
163.04047	1.6
164.01178	2.6
165.01942	7.2
166.02533	0.5
167.03499	1.7
175.04002	2.1
175.07620	2.0
179.03516	5.9
185.06021	0.8
186.06706	0.7
187.04018	5.1
188.01190	0.8
188.04813	3.7
189.01918	2.3
199.07484	0.7
202.06337	1.9
202.13531	0.6
203.03432	0.7
203.07155	10.3
205.05063	8.6
217.08693	0.7
221.08214	1.8
227.07162	2.2
230.05901	0.8
245.08177	16.3
247.06143	0.6
271.06143	1.4
289.07193	100.0
290.07590	6.7
299.07529	1.0
313.07132	2.0
323.85214	0.6
347.91034	0.5
407.13159	0.6
451.12503	6.9
452.12766	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1268
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.3
59.01383	16.6
60.01697	1.7
67.01891	3.4
69.09734	1.3
69.32057	3.1
69.32462	3.1
71.01390	13.8
72.99324	1.2
73.02952	3.1
81.03469	6.1
83.01424	3.1
83.05030	14.2
85.02966	4.8
89.02493	2.7
91.01917	3.2
93.03453	9.7
95.01388	9.9
98.22541	2.1
99.00888	1.8
101.02440	7.9
102.02864	1.1
107.01412	3.9
108.02178	9.6
109.02958	13.4
111.00904	4.7
113.02467	5.3
121.03036	2.1
121.67976	1.0
123.00892	100.0
123.04536	12.0
124.01683	46.3
125.02504	6.8
125.07257	1.4
126.40266	1.1
135.04514	1.1
136.01680	1.5
137.02441	17.2
138.03250	32.8
139.00394	10.4
139.04027	25.6
143.08334	1.1
149.02434	1.2
151.00372	6.9
151.03914	1.5
152.01167	14.6
153.01959	27.8
153.03169	2.1
154.02728	9.4
161.02480	1.1
166.02727	4.0
167.03505	38.1
168.00656	1.6
168.03889	2.2
169.01492	2.6
169.05032	6.0
181.05132	1.8
189.02049	2.2
195.02943	1.1
203.03571	1.2
207.14987	1.3
209.04605	1.4
209.11819	2.8
210.12247	1.7
217.01483	1.5
224.17522	2.6
225.16173	7.3
239.02563	1.3
239.05305	1.2
269.06790	1.6
269.13885	5.3
270.14334	3.7
271.14587	8.2
281.06671	21.0
281.09543	1.7
296.05490	3.1
297.06161	13.0
311.07736	51.9
312.08234	3.2
313.05597	1.5
324.26672	1.4
333.23029	2.5
341.06781	4.4
403.77994	1.2
433.20206	1.2
433.31900	4.0
451.12607	94.6
451.21893	9.2
451.32898	72.0
452.12936	11.1
452.33191	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	451.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70881	1.0
55.01880	1.1
57.03448	2.8
58.35210	1.0
59.01386	24.0
59.59856	0.9
61.98827	2.1
68.88221	1.0
69.03478	1.7
71.01389	16.3
71.29206	1.3
72.99326	1.4
73.02957	6.0
74.99100	1.6
81.03470	2.7
83.01387	5.5
85.02955	12.4
87.00871	1.7
89.02451	10.0
93.03491	2.5
95.01420	4.5
95.05060	2.4
96.95974	1.1
97.02949	6.2
97.06593	2.2
99.00893	2.2
101.02451	12.5
107.01402	7.2
108.02220	4.9
109.02978	19.2
111.00918	3.0
113.02454	8.1
118.07197	1.1
119.03499	4.9
119.05022	1.3
121.03005	5.2
122.03813	1.7
123.00903	18.4
123.04536	13.5
124.01711	3.5
125.01540	2.0
125.02456	38.2
125.03336	2.2
126.02782	1.8
131.34836	1.0
133.02956	1.7
135.04550	1.5
137.02458	22.4
137.06088	18.9
138.03267	4.0
139.00406	5.6
139.04019	5.3
140.01199	1.7
145.03011	1.7
149.02487	4.8
151.00403	9.8
151.04022	10.9
152.01160	3.5
153.01962	4.8
153.05586	5.5
155.03539	1.4
157.06845	1.0
159.04517	1.2
161.02533	3.3
161.04622	3.3
161.06133	4.7
162.03244	2.1
163.04033	2.3
164.01225	4.0
165.01942	16.5
167.03534	3.9
168.00676	2.4
169.01436	42.0
170.01845	1.1
172.22595	1.0
173.02597	1.1
173.06091	1.0
175.04047	2.4
175.07634	1.3
179.03545	7.7
179.05640	1.9
180.04265	6.9
187.04037	4.0
188.04819	3.3
189.01944	1.2
193.01518	4.0
195.06628	10.9
197.04674	1.0
201.05695	1.8
201.09657	2.3
203.03587	1.2
203.07162	8.0
203.42929	1.1
205.05077	7.0
211.02440	1.1
221.08286	4.0
225.04173	1.4
225.07675	5.3
227.07231	2.3
229.01515	1.3
245.00992	2.7
245.08197	20.6
245.10585	1.5
247.06129	1.8
257.01120	1.2
259.11926	1.6
270.98987	2.8
271.06265	2.5
273.00592	4.3
274.01166	13.5
275.01889	6.4
288.02881	1.3
289.03735	10.6
289.07141	55.0
289.20316	2.6
290.07587	2.9
291.14642	2.1
298.98401	3.7
299.99127	2.3
301.00037	2.5
311.07822	3.9
313.05728	9.7
313.09244	1.7
315.07367	1.0
419.06461	1.4
451.12634	100.0
451.21445	22.4
452.12976	9.7
452.22250	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.3
60.41737	0.3
61.64587	0.4
65.03968	0.5
71.01395	0.6
83.09976	0.4
89.62536	0.3
93.03468	50.0
94.03800	1.6
96.96032	2.6
98.21716	0.7
108.02167	0.5
109.02951	1.3
116.68071	0.3
123.00887	0.4
125.02457	1.0
137.02457	100.0
138.02754	3.2
139.04027	22.6
140.04314	0.4
153.01987	0.4
161.02486	0.5
167.03517	0.6
169.01411	1.1
169.05075	22.5
170.05412	0.8
175.04108	0.4
188.82542	0.4
189.01839	0.5
191.03499	0.5
195.06723	0.5
217.01459	0.7
229.55913	0.6
233.58614	0.4
281.06674	1.2
293.99265	0.4
300.99893	0.6
313.09268	4.2
331.10306	1.1
341.06866	0.8
451.12750	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22079	0.7
59.01370	2.9
62.77932	0.8
89.19490	0.8
93.03487	1.3
96.96017	12.7
98.21708	1.8
106.82620	0.8
107.05042	1.4
108.02128	0.9
109.02936	1.1
121.02885	1.2
125.02467	1.2
137.02455	3.4
141.07091	1.6
143.04991	2.8
145.06586	1.5
157.06659	0.8
159.04526	15.3
161.02469	3.9
167.05034	1.2
169.06546	1.1
171.04532	4.6
172.05295	0.8
173.06067	4.2
175.07648	4.8
176.04732	1.3
177.01956	1.4
179.03488	2.5
183.04514	1.2
185.06122	9.1
191.07127	1.0
192.04248	1.3
194.05763	1.9
195.04489	2.5
196.05292	2.8
197.06107	9.1
198.06665	1.1
199.04041	11.4
199.07658	3.6
201.05569	11.4
204.04317	1.2
206.59470	0.8
207.06616	1.7
209.08200	3.4
211.04033	1.4
212.04843	2.4
213.05603	14.3
214.06088	1.2
224.04762	2.7
225.05579	4.4
233.38777	0.8
240.04338	1.0
241.05087	100.0
242.05682	13.4
243.06628	67.3
244.06989	4.5
255.86287	0.9
364.79471	0.9
371.24365	1.5
433.12885	1.9
451.08838	1.0
451.14169	1.8
451.19855	9.7
452.19543	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.0
59.01366	3.2
61.98817	2.0
62.64178	1.0
64.02624	1.0
69.08939	5.9
69.09349	2.9
70.63938	0.9
71.01370	2.9
73.02943	1.2
77.03945	2.0
85.02924	2.0
87.04522	90.5
93.03417	1.6
96.70731	1.1
101.02397	1.9
105.10275	1.0
109.02908	1.6
109.06564	1.0
111.00870	1.4
111.04530	1.9
119.05005	1.0
120.99631	1.1
121.02959	2.5
123.00858	1.1
125.02464	1.8
134.03668	1.2
135.04442	1.2
137.02405	3.4
139.03967	1.1
141.05553	1.0
149.02419	3.1
163.00366	1.1
163.03963	3.0
169.01340	1.8
175.04007	1.7
179.03510	1.4
183.06607	1.7
191.03484	1.7
193.04948	1.6
217.05057	12.5
218.05849	20.6
219.06465	3.8
231.06636	1.9
233.08192	64.0
234.08609	4.8
243.06552	3.8
245.07971	1.5
257.08182	1.2
259.05878	1.8
261.07687	100.0
262.08081	5.2
273.07739	8.9
291.08688	4.8
363.10828	14.5
367.59186	1.0
377.26688	1.7
451.15897	58.0
451.29883	3.0
452.16397	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	451.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
68.21831	17.2
69.72662	68.6
69.72996	18.0
71.38042	14.2
74.86132	14.0
93.03444	23.4
112.49835	13.2
122.29983	15.4
124.01608	17.2
125.02477	31.3
128.56894	17.1
137.02455	79.7
149.99623	24.2
164.87207	15.2
168.00635	58.8
313.05725	25.6
331.06674	21.2
451.08710	100.0
451.20264	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.3
57.03436	3.0
58.00585	4.3
58.19901	0.8
59.01383	100.0
60.01714	1.6
71.01389	75.6
72.99305	2.9
73.02953	25.1
83.01409	5.6
85.02962	17.8
87.00880	4.2
87.04536	4.0
89.02454	76.5
93.03463	3.7
95.01390	4.3
97.02976	2.0
98.22594	2.3
99.00890	4.0
99.26965	1.0
101.02454	49.5
102.02797	1.0
103.04023	4.1
107.01400	2.9
107.05064	4.5
108.02218	1.4
109.02972	1.3
113.02455	26.4
118.04162	0.8
119.03519	32.9
119.04994	6.5
123.00871	5.6
123.04573	4.6
124.01690	2.2
125.02460	21.6
131.03511	3.3
137.02455	6.6
137.06076	5.1
137.99565	1.2
139.00356	4.0
140.01271	1.0
141.09335	1.2
143.03531	7.2
147.11839	2.5
149.04552	4.3
149.99580	4.0
151.00357	3.3
152.01134	1.6
153.01953	16.8
154.02701	1.5
159.02983	2.1
161.04539	12.9
162.76462	1.0
167.14401	0.9
168.00595	5.5
168.04317	4.7
169.01454	18.8
169.32832	1.0
179.05615	21.1
207.10175	1.6
228.79874	1.3
281.06638	4.2
281.41943	1.0
289.20248	47.1
290.20612	3.0
313.05597	5.4
334.75500	0.9
415.16058	2.6
451.12994	34.8
451.25558	41.8
452.12790	4.3
452.25717	3.1
456.81247	1.1
476.63535	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.3
57.03436	3.0
58.00585	4.3
58.19901	0.8
59.01383	100.0
60.01714	1.6
71.01389	75.6
72.99305	2.9
73.02953	25.1
83.01409	5.6
85.02962	17.8
87.00880	4.2
87.04536	4.0
89.02454	76.5
93.03463	3.7
95.01390	4.3
97.02976	2.0
98.22594	2.3
99.00890	4.0
99.26965	1.0
101.02454	49.5
102.02797	1.0
103.04023	4.1
107.01400	2.9
107.05064	4.5
108.02218	1.4
109.02972	1.3
113.02455	26.4
118.04162	0.8
119.03519	32.9
119.04994	6.5
123.00871	5.6
123.04573	4.6
124.01690	2.2
125.02460	21.6
131.03511	3.3
137.02455	6.6
137.06076	5.1
137.99565	1.2
139.00356	4.0
140.01271	1.0
141.09335	1.2
143.03531	7.2
147.11839	2.5
149.04552	4.3
149.99580	4.0
151.00357	3.3
152.01134	1.6
153.01953	16.8
154.02701	1.5
159.02983	2.1
161.04539	12.9
162.76462	1.0
167.14401	0.9
168.00595	5.5
168.04317	4.7
169.01454	18.8
169.32832	1.0
179.05615	21.1
207.10175	1.6
228.79874	1.3
281.06638	4.2
281.41943	1.0
289.20248	47.1
290.20612	3.0
313.05597	5.4
334.75500	0.9
415.16058	2.6
451.12994	34.8
451.25558	41.8
452.12790	4.3
452.25717	3.1
456.81247	1.1
476.63535	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.5
56.45554	1.2
56.75539	1.0
57.03445	4.0
58.00581	2.9
58.62502	1.1
59.01383	100.0
63.66864	1.3
69.03454	1.4
69.18382	5.3
69.18806	3.0
69.59666	1.0
71.01387	76.0
72.01720	1.4
72.99313	4.7
73.02575	2.1
73.02949	23.5
75.00875	1.4
83.01395	8.2
84.07479	1.2
85.02950	24.6
87.00879	4.2
87.04507	2.4
89.02448	63.1
93.03457	21.9
95.01413	6.4
98.21817	2.5
99.00902	4.2
101.02451	47.5
103.04012	3.3
107.01384	5.0
107.98814	1.1
108.02198	3.3
109.02983	7.7
111.00871	2.3
113.02467	29.8
113.03259	1.9
119.03502	33.6
119.04870	1.3
120.99681	2.5
121.02968	1.5
123.00917	10.8
123.04535	3.6
125.02452	29.3
131.03485	3.8
135.04497	1.5
137.02455	34.1
138.02899	1.7
139.00394	3.8
139.04024	2.4
140.01131	2.1
143.03511	4.8
147.11745	1.7
149.04538	2.5
151.00407	6.7
151.01462	1.0
151.82201	1.1
152.01163	2.6
153.01947	8.9
153.05609	3.1
159.03011	1.7
161.02467	1.4
161.04584	12.9
168.00638	2.1
169.01448	30.7
169.05124	2.7
173.23280	1.3
179.03539	5.3
179.05612	16.3
180.06114	1.5
211.02483	2.2
216.56030	1.1
239.05730	2.9
271.04437	1.6
273.00229	1.4
289.20221	37.6
290.20743	2.2
292.46442	1.4
297.06073	3.2
299.07571	2.1
299.96271	1.2
313.05692	23.1
314.06091	1.7
315.07047	1.7
342.02847	1.3
352.07434	1.3
403.17627	1.5
407.09921	3.7
423.86664	1.4
451.08560	15.5
451.12912	12.6
451.25510	73.4
452.08929	2.0
452.25952	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	451.2854
Annotation	dihydrocelastrol
Peak:m/z	Relative Intensity
52.95913	0.7
57.08129	0.7
69.14409	4.5
72.43623	0.6
116.92867	1.6
163.07727	1.3
165.58759	0.7
189.09193	2.7
201.09227	14.2
202.09573	1.1
266.81726	0.7
272.85745	0.8
281.76251	0.7
301.21759	2.2
335.20065	4.4
361.21799	1.6
375.23441	1.0
377.24753	6.5
390.25262	1.2
391.26450	7.6
392.26981	2.7
394.39902	0.8
405.28043	3.1
407.29456	2.8
451.28494	100.0
452.28781	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	451.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04345	0.2
62.77408	0.2
65.97192	0.2
69.09439	2.1
95.05079	0.3
97.06586	0.4
98.22540	0.5
101.07185	0.2
124.11374	0.3
137.51588	0.3
147.33287	0.2
152.99704	0.3
159.06631	0.8
210.08441	0.3
212.08975	0.6
227.73088	0.3
337.25586	0.3
349.16159	0.2
360.47021	0.3
405.31769	0.3
451.32205	100.0
452.32550	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	451.3217
Annotation	Stellettin J
Peak:m/z	Relative Intensity
55.01866	0.3
68.06075	0.2
69.30334	0.8
78.95901	0.6
80.02667	0.3
85.06602	0.8
86.76617	0.1
93.54485	0.2
95.05038	0.3
97.06593	11.4
98.06918	0.2
100.88386	0.2
102.25563	0.2
106.04209	0.2
137.09734	1.2
140.01128	0.2
149.09697	0.5
164.44699	0.2
187.12184	0.1
196.03827	0.4
203.14345	0.2
223.14903	0.3
241.57576	0.1
251.75266	0.2
255.20961	0.2
255.23306	2.8
271.17065	0.3
361.25162	0.3
371.27625	0.2
373.25467	0.5
374.26114	0.9
375.26907	0.6
377.28503	0.6
387.15326	0.2
389.28522	4.3
390.28714	0.4
391.30313	0.3
398.80920	0.2
405.31628	13.4
406.31973	1.7
407.33209	4.0
408.33304	0.7
421.27420	0.7
435.28870	0.2
437.30566	1.5
449.30591	0.8
451.32184	100.0
452.32565	14.1
452.41809	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19070	2.1
53.73475	1.9
63.86185	2.3
70.02814	8.3
81.68201	2.2
102.88934	1.9
135.81581	2.1
141.41861	2.1
299.26898	2.2
451.32220	100.0
452.32498	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	451.3222
Annotation	Supinenolone D
Peak:m/z	Relative Intensity
56.86473	1.1
66.61613	1.1
69.08582	4.1
69.09001	5.3
88.12197	1.1
114.91519	1.3
116.41437	1.0
190.03775	1.3
237.37994	1.2
451.32196	100.0
452.32584	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	451.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02974	0.3
59.01379	2.6
69.03440	0.3
69.18427	0.2
71.01386	1.3
73.02964	0.5
75.00909	0.2
80.05077	0.4
80.50549	0.2
81.03465	11.0
82.79604	0.2
83.01387	0.3
83.05032	28.0
84.05367	0.7
85.02969	0.5
87.00869	0.2
89.02453	0.9
92.78765	0.2
93.03464	1.5
95.01402	0.3
100.07717	0.4
101.02441	0.9
104.90675	0.2
107.06161	0.9
108.02186	0.4
108.04575	1.0
109.02982	1.1
111.00864	0.2
111.87421	0.2
113.02475	0.5
115.06911	0.2
119.03542	0.2
120.50722	0.2
121.02978	0.2
123.00901	0.7
123.04556	0.3
124.01675	1.2
125.02477	2.8
125.07211	3.2
126.02892	0.2
126.05640	0.4
126.07539	0.2
136.01689	0.3
137.02451	3.4
137.99602	0.2
139.00389	1.7
139.03972	0.2
140.01131	0.3
143.08269	1.6
149.02490	0.2
149.99609	1.9
151.00371	0.2
151.04001	0.4
152.01172	0.3
153.01959	1.6
154.02708	1.3
155.03481	0.3
157.13416	0.3
161.04570	0.2
168.00659	3.2
169.01404	0.4
169.05139	1.3
177.01990	0.6
189.01939	1.3
190.02747	0.2
191.03526	0.3
201.09570	0.2
207.15051	3.5
207.16942	0.3
208.15340	0.3
217.01492	0.9
219.03029	0.3
224.15793	0.1
224.17691	5.0
225.16095	11.8
226.16394	0.5
242.18784	1.8
245.00935	0.4
250.15633	0.4
273.00470	0.6
281.06674	2.7
282.07379	0.2
288.15582	0.3
289.07175	0.3
289.15631	0.7
290.22626	0.2
292.20438	0.3
306.21777	0.4
309.21851	0.5
313.05896	0.3
324.26535	2.0
325.26645	0.2
331.06738	0.4
333.22958	4.7
339.27707	0.3
341.06570	1.5
342.06744	0.3
351.20276	0.2
351.24002	1.1
367.27179	1.4
406.30893	0.3
433.31873	6.0
434.32266	0.8
436.06467	0.4
451.08112	4.3
451.32904	100.0
452.09537	0.7
452.33212	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	452.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95792	1.0
59.01379	8.7
61.98833	100.0
62.13839	1.2
62.34208	1.1
63.30057	1.0
64.54147	1.0
70.62996	2.8
71.01392	8.2
73.02965	1.8
83.01377	2.3
85.02950	2.4
89.02457	6.9
95.01412	6.2
97.02987	2.7
101.02429	5.2
107.01391	5.3
109.02972	2.8
111.00884	4.3
111.49236	1.0
113.02463	3.7
119.03554	1.1
123.00886	19.6
123.04536	1.4
124.01672	14.7
125.02448	29.0
134.83093	1.0
136.98811	1.2
137.02429	3.0
139.00404	5.5
139.04039	7.1
140.01192	2.5
147.04616	1.4
149.04559	1.1
151.00430	5.8
151.01437	1.0
151.04077	1.3
161.02454	2.0
163.04031	1.5
165.01900	2.6
168.00659	4.7
168.45700	1.2
169.01428	29.2
173.02386	1.6
174.66089	1.0
175.04045	1.6
176.10838	1.2
179.03499	2.1
179.05582	1.5
183.02963	2.4
189.01990	1.1
190.02740	2.8
191.03493	2.9
194.33107	1.1
201.01982	2.9
203.03413	2.1
217.01443	3.4
218.02171	2.5
218.89439	1.0
219.02951	1.4
229.01373	2.3
231.02925	1.1
245.00867	1.9
246.01659	9.6
247.02483	48.0
247.43080	1.2
257.01010	2.2
259.38330	1.4
275.01950	4.9
289.07306	2.9
289.20108	1.6
290.07611	4.0
297.06265	1.3
300.99936	10.3
313.05667	5.8
327.06979	1.5
362.03207	1.5
376.02518	2.6
381.52258	2.1
390.52673	3.7
391.03061	12.9
391.53558	1.4
409.07727	7.7
452.12842	1.9
452.26273	2.4
453.10721	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	452.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	8.5
57.01503	4.4
59.01382	75.5
60.01685	4.9
62.70989	5.2
71.01384	92.1
71.29608	6.2
73.02952	30.1
74.59026	4.4
83.01390	20.8
85.02950	42.0
89.02454	37.1
95.01390	15.1
99.00903	15.2
101.02449	72.8
107.01400	9.4
108.02193	10.1
109.02937	15.3
110.03297	6.8
111.00877	9.6
113.02467	34.3
119.03516	6.2
120.99673	5.5
121.02968	5.9
123.00887	55.7
123.04489	17.5
124.01759	50.7
124.04858	5.2
125.02417	26.7
135.04633	5.1
137.02399	7.0
138.01953	38.7
138.03192	20.5
139.04060	31.6
140.04361	10.7
149.04596	5.7
151.00209	9.8
152.01079	15.6
153.01782	12.1
154.02307	6.7
161.04535	26.8
167.03500	29.6
168.03848	28.5
169.01427	35.4
227.77245	4.9
263.15024	57.7
288.15344	6.7
290.07092	5.7
297.05951	8.0
311.07672	23.6
312.08011	50.2
313.05530	24.5
321.19229	74.8
353.89395	5.5
409.20834	89.8
410.21060	10.3
452.13040	100.0
453.13364	7.1
453.23465	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2786
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
50.59053	0.4
51.50568	0.4
61.94056	0.4
78.95911	19.3
97.06624	0.4
97.90972	0.5
101.86499	0.5
122.00201	0.7
140.01219	5.1
140.37511	0.4
152.99557	2.2
163.28230	0.4
196.03807	9.8
214.04897	1.8
255.23308	100.0
256.23691	6.9
377.24854	0.9
383.29358	0.9
393.27795	0.7
397.31082	1.2
407.29504	9.4
451.32220	2.6
452.22592	1.1
452.27731	22.5
452.71979	0.8
453.29160	7.4
453.33786	11.5
471.34872	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.0467
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.0
63.02388	1.9
65.00337	1.5
68.98227	6.3
68.98634	1.4
76.86012	0.7
83.01420	0.9
86.17726	0.8
93.03450	1.3
107.01417	1.2
109.02977	5.3
123.00859	1.2
125.02455	5.2
133.02928	2.6
135.00894	1.1
137.02411	2.8
143.04993	1.0
151.00342	3.5
153.01926	2.6
169.01341	2.7
171.04536	2.5
175.04039	2.0
179.03468	0.9
183.04417	0.9
187.03941	1.0
199.04010	7.4
200.54076	0.9
201.01909	1.8
214.02608	0.8
215.03476	3.0
226.02719	1.7
227.03458	4.8
229.97162	1.0
242.02029	1.5
243.02933	7.4
255.03008	2.3
265.94553	1.0
271.02484	47.4
272.02820	3.2
287.01965	1.1
288.02869	1.5
299.01987	100.0
299.99231	1.2
300.02487	12.3
301.00262	1.0
301.03452	2.1
400.38553	1.0
453.01190	0.9
453.09418	5.2
453.34216	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	453.0482
Annotation	Unknow
Peak:m/z	Relative Intensity
60.68201	1.0
63.02398	1.7
65.00323	1.8
69.03460	1.2
76.46684	0.9
79.06621	0.8
79.54175	0.8
81.03423	0.8
84.56771	0.7
93.03465	24.4
94.03800	8.2
95.01390	2.0
95.03970	1.6
96.95981	1.0
97.02947	1.3
107.01415	3.3
108.02222	2.0
109.02985	11.2
114.88442	0.8
123.00900	6.2
123.04504	1.0
124.01697	11.7
125.02504	22.5
126.02248	1.5
126.02869	8.8
127.02924	5.2
133.02971	2.6
137.02461	40.5
138.02795	15.6
139.02905	9.7
143.05032	1.6
149.99593	19.7
150.99957	8.7
152.00034	6.4
153.01950	3.7
159.04521	1.5
167.03516	1.1
168.00658	34.7
169.01031	19.2
170.01080	16.6
171.01895	2.2
171.04550	2.7
173.02480	1.2
175.03976	1.8
187.04047	1.4
190.73163	1.0
199.04010	7.2
201.01981	1.1
202.93481	1.0
215.03534	3.3
220.74574	0.9
226.02763	2.0
227.03462	7.7
228.03888	1.9
229.04074	1.0
243.02966	7.4
255.02896	1.8
262.12817	0.9
271.02496	53.2
271.09723	1.6
272.02838	4.3
299.01990	95.1
300.02573	8.0
301.03387	1.7
313.05643	4.8
314.06058	4.1
315.06216	11.4
331.06662	4.5
332.07190	7.5
333.07263	21.0
334.07675	0.9
405.44757	0.9
423.28998	3.4
452.09692	1.3
453.09430	100.0
453.30338	3.4
454.09647	5.7
464.64166	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.0679
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01293	1.4
59.01549	0.6
67.01804	0.8
69.39053	0.6
69.65745	2.4
71.01276	2.0
73.02875	0.7
81.74625	0.8
85.02863	1.3
87.12051	0.6
95.01299	1.4
98.21686	0.7
101.02365	1.1
107.01260	3.6
108.02129	0.8
109.02886	0.7
111.00762	2.6
113.02337	1.0
123.00900	10.9
124.01681	11.2
125.02467	19.8
127.00322	0.9
136.98717	0.5
137.02376	0.6
138.03200	1.1
139.00264	2.8
139.04013	6.3
140.01163	3.0
140.08913	0.6
141.07037	0.6
145.02896	0.7
147.04453	1.0
151.00377	3.9
152.01050	1.0
153.01802	0.8
163.03960	1.0
165.01875	1.4
168.00655	3.0
169.01436	22.6
170.01631	0.8
170.51338	0.6
173.02332	1.2
175.04008	1.3
183.02885	2.7
189.01852	1.3
190.02716	4.8
191.03494	4.5
192.54967	0.7
195.06601	0.8
201.01830	0.8
202.02557	0.7
217.01404	4.9
218.02232	5.1
219.02972	2.9
229.01425	0.8
246.01671	17.0
247.02475	100.0
248.02875	4.7
275.01950	0.8
297.06216	1.3
301.00238	1.2
313.05664	5.3
327.07614	0.8
376.03049	0.7
377.03513	0.8
391.03464	0.7
409.07776	13.4
410.08661	0.7
453.10938	53.4
454.11475	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	453.0678
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75047	0.5
57.03363	0.7
59.01257	2.4
59.01574	1.0
65.03861	0.5
69.03369	0.6
69.03709	0.6
71.01254	2.5
73.02844	0.7
79.01785	0.7
83.01275	0.8
84.90211	0.5
85.02868	1.4
89.02338	1.2
95.01251	2.8
97.02891	0.5
98.22596	1.6
101.02307	2.2
101.02905	1.0
107.01254	3.6
108.02069	0.8
111.00745	3.5
113.02306	1.7
116.66325	0.5
116.92713	0.5
119.04916	0.8
123.00888	12.9
123.04407	0.6
124.01685	13.2
125.02454	23.9
126.02654	0.6
127.00306	0.6
136.98770	1.0
137.02348	1.3
138.03162	0.6
139.00378	5.2
139.04033	6.9
140.01138	3.5
141.01846	1.0
145.02855	0.9
147.04449	1.6
151.00391	4.8
151.03830	0.6
152.01117	1.3
153.01820	1.5
155.72552	0.6
160.11194	0.5
161.02393	1.0
163.03979	1.2
165.01859	1.3
168.00708	3.4
169.01437	26.3
170.01678	1.1
173.02353	1.5
175.03944	1.0
176.10344	0.6
179.03429	0.7
183.02994	2.9
189.01799	1.6
190.02728	5.6
191.03499	5.4
203.03481	1.7
205.01239	0.8
211.67117	0.6
217.01407	5.8
218.02205	4.8
219.03000	3.8
229.01402	1.2
229.77484	0.6
246.01697	17.3
247.02477	100.0
248.02853	5.5
257.00867	0.7
273.00412	1.8
275.02017	2.5
289.07104	0.9
290.07742	0.8
291.01614	0.7
291.08084	0.9
297.06195	1.8
300.99829	4.3
313.05701	5.6
327.01501	0.7
327.07324	1.4
362.02850	0.8
382.02744	0.8
390.52844	1.8
391.03128	4.7
391.53503	0.8
409.07755	16.0
410.08627	1.8
416.09698	0.6
453.11002	62.3
454.10922	5.2
464.34543	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93010	1.0
52.21642	0.9
59.01384	0.9
69.26138	6.2
79.95744	60.8
80.96529	3.6
96.96030	17.8
107.01376	1.4
108.02190	1.5
109.02962	1.4
121.02988	4.2
123.04542	2.9
124.01646	2.0
125.02455	1.8
133.03011	1.1
134.03757	37.8
137.02463	12.6
139.04005	4.0
149.06102	18.8
150.01411	10.4
150.03230	2.2
151.00389	2.2
159.04582	1.9
160.05292	4.6
163.04021	1.2
164.04881	2.9
169.01485	1.4
175.07657	3.7
177.01865	1.2
178.01190	2.1
178.02725	33.8
178.06300	1.6
179.07129	3.8
189.01965	1.6
189.99278	32.7
193.05078	81.4
194.05428	3.2
229.01668	1.7
229.97095	27.4
243.03374	3.2
259.02783	3.8
267.06445	1.2
269.08261	3.1
275.51508	1.0
281.08173	1.5
283.09659	1.6
300.02811	13.2
300.99994	2.7
311.09280	1.7
329.13864	5.9
340.09412	2.7
343.07263	3.3
343.11856	6.0
344.12418	1.5
355.12042	2.4
409.09662	8.7
410.00531	1.1
423.07745	1.4
453.08643	100.0
454.09006	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	453.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
59.47134	0.2
66.12132	0.2
69.02567	2.2
79.95377	0.2
79.95745	6.0
96.96020	100.0
110.97598	0.4
114.58247	0.3
121.02950	0.5
125.02447	0.7
137.02434	1.5
139.00296	0.3
151.04044	0.3
162.19186	0.3
164.04773	0.4
169.01485	0.3
179.07103	0.3
181.33994	0.3
240.07626	0.3
251.07140	0.3
268.07477	0.3
269.08173	1.4
283.09763	1.4
284.10358	0.4
300.99838	0.7
328.09677	0.7
343.11807	0.8
351.92480	0.2
355.12036	0.3
376.54602	0.4
453.08649	33.3
454.08990	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	453.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01891	1.2
69.03453	1.1
71.01388	5.2
71.01728	1.0
71.27589	0.7
72.99320	1.2
78.11856	0.7
78.95905	31.9
78.97812	0.8
79.01899	1.1
83.01374	1.1
85.02953	2.6
87.00864	0.9
94.92197	0.7
95.01383	3.1
97.02930	1.4
101.02456	2.8
107.01405	8.1
108.02208	1.0
109.02966	1.1
110.89913	7.1
110.97752	1.1
110.98538	29.0
111.00903	4.3
113.02466	2.3
123.00893	23.8
124.01674	24.5
125.02456	45.4
126.02776	1.3
127.00437	1.6
136.98820	2.9
137.02460	1.0
138.03236	1.7
139.00377	7.6
139.04021	11.2
140.01140	7.4
141.01991	1.2
142.00085	0.7
151.00377	9.3
152.01111	0.8
163.03998	0.9
168.00645	8.6
169.01425	47.0
170.01689	1.7
175.04060	0.7
183.02975	5.1
190.02739	1.7
191.03415	1.2
203.03558	2.6
217.01468	1.4
218.02251	1.1
225.03979	0.9
241.03572	1.0
245.00941	0.8
246.01653	4.5
247.02498	19.6
248.02911	0.8
275.01941	1.3
282.58231	0.7
285.06329	1.4
297.06107	2.3
301.00018	3.2
309.73709	0.9
313.05649	10.0
327.07422	1.5
333.11215	0.6
391.03015	1.7
391.53320	0.9
409.07880	2.1
410.08414	0.9
453.10495	100.0
454.10672	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	453.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01891	1.2
69.03453	1.1
71.01388	5.2
71.01728	1.0
71.27589	0.7
72.99320	1.2
78.11856	0.7
78.95905	31.9
78.97812	0.8
79.01899	1.1
83.01374	1.1
85.02953	2.6
87.00864	0.9
94.92197	0.7
95.01383	3.1
97.02930	1.4
101.02456	2.8
107.01405	8.1
108.02208	1.0
109.02966	1.1
110.89913	7.1
110.97752	1.1
110.98538	29.0
111.00903	4.3
113.02466	2.3
123.00893	23.8
124.01674	24.5
125.02456	45.4
126.02776	1.3
127.00437	1.6
136.98820	2.9
137.02460	1.0
138.03236	1.7
139.00377	7.6
139.04021	11.2
140.01140	7.4
141.01991	1.2
142.00085	0.7
151.00377	9.3
152.01111	0.8
163.03998	0.9
168.00645	8.6
169.01425	47.0
170.01689	1.7
175.04060	0.7
183.02975	5.1
190.02739	1.7
191.03415	1.2
203.03558	2.6
217.01468	1.4
218.02251	1.1
225.03979	0.9
241.03572	1.0
245.00941	0.8
246.01653	4.5
247.02498	19.6
248.02911	0.8
275.01941	1.3
282.58231	0.7
285.06329	1.4
297.06107	2.3
301.00018	3.2
309.73709	0.9
313.05649	10.0
327.07422	1.5
333.11215	0.6
391.03015	1.7
391.53320	0.9
409.07880	2.1
410.08414	0.9
453.10495	100.0
454.10672	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	453.104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74078	0.7
54.81254	0.5
59.01392	0.9
65.40715	0.4
67.01877	0.9
68.99792	0.5
69.03433	0.7
69.12354	1.5
69.12778	1.9
71.01394	3.6
72.99324	0.6
73.02934	0.7
73.31226	0.5
78.01093	0.5
79.01884	1.2
81.03445	0.9
83.01406	0.8
85.02950	1.7
94.98721	0.5
95.01382	2.2
95.47729	0.5
97.02951	1.1
99.00890	0.8
101.02485	1.3
105.66379	0.4
107.01391	8.3
111.00880	2.7
111.44011	0.5
113.02430	1.3
123.00905	17.8
124.01673	23.0
125.02458	37.0
126.02796	1.0
127.00359	1.2
136.98851	2.3
137.02519	0.9
138.03221	1.0
139.00388	4.6
139.04018	7.5
140.01181	4.5
141.01939	1.4
141.46538	0.5
151.00391	6.4
151.03967	0.5
153.01912	0.7
163.03954	0.5
165.01831	0.6
167.03555	0.7
168.00667	6.4
169.01434	38.8
170.01779	1.1
179.03406	0.6
183.02995	3.1
193.01285	0.7
211.02441	0.7
225.04047	0.7
241.03671	0.7
253.03574	0.8
285.06287	1.1
287.70529	0.5
297.06186	2.2
313.05695	10.0
314.05911	0.8
327.07190	1.8
453.10410	100.0
454.10791	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	453.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44332	0.4
58.85376	0.5
59.01371	1.4
62.56375	0.6
65.00313	0.5
67.01871	0.9
69.03458	1.2
69.56467	2.7
69.84894	0.5
71.01408	3.3
72.99313	0.6
73.02927	0.6
79.01885	1.5
81.03464	0.8
83.01411	1.2
85.02926	1.2
87.00882	0.6
95.01388	2.5
97.02946	1.2
98.88324	0.5
99.00928	0.5
101.02466	1.6
107.01401	8.3
107.40416	0.5
111.00894	1.9
113.02435	1.2
123.00895	15.6
124.01678	22.0
125.02461	47.9
126.02779	1.4
127.00368	0.7
136.98840	1.1
137.02425	1.5
138.03206	0.6
139.00397	4.4
139.04024	22.6
140.01172	4.0
140.04414	0.8
141.01888	1.0
144.71107	0.5
151.00394	8.8
153.01950	0.8
161.04575	0.5
162.28601	0.6
163.06032	0.5
165.01907	1.5
168.00609	4.6
169.01439	54.5
170.01750	1.3
179.03549	1.3
180.04300	1.1
193.01599	0.6
195.06590	1.0
211.02464	0.9
225.07635	1.4
227.03511	0.6
241.03438	0.9
243.02852	0.8
253.03662	0.7
271.02451	0.5
285.00461	0.9
297.06232	0.6
300.99991	0.9
313.05679	20.6
314.06049	1.4
315.01447	0.9
438.08029	2.1
453.10410	100.0
454.10706	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	453.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32375	0.5
55.25982	0.5
59.01378	0.8
67.01899	1.1
69.03456	0.7
71.01385	4.0
72.99318	0.9
73.02962	1.0
79.01875	0.8
81.40881	0.5
83.01406	1.1
85.02940	1.5
85.47326	0.5
87.00885	0.6
95.01392	2.4
97.02965	0.6
98.21709	1.0
101.02460	1.0
107.01402	7.5
110.00069	0.6
111.00886	3.0
113.02453	1.2
123.00895	18.4
124.01677	22.5
125.02462	40.0
126.02817	0.8
127.00385	1.4
136.98843	1.4
137.02461	1.0
138.03239	0.9
139.00381	4.9
139.04025	7.6
140.01167	4.3
141.01895	0.7
151.00377	6.5
151.03859	0.5
165.01910	0.6
167.00049	0.5
168.00673	5.8
169.01436	42.8
170.01733	1.6
179.03493	0.9
183.03009	4.4
195.06870	0.6
211.02550	1.1
225.04007	0.8
241.03352	0.7
244.03664	0.6
247.02589	0.6
249.95969	0.5
253.03482	0.6
275.01816	0.8
285.06259	1.0
297.06128	1.9
300.99796	1.6
311.94226	0.6
313.05682	9.4
327.07208	2.1
330.63663	0.6
390.52515	0.9
391.03357	1.2
391.53583	0.7
453.10406	100.0
454.10678	8.5
455.73975	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91939	1.4
51.31964	1.3
52.50554	1.5
61.98829	2.3
64.36247	1.5
69.48738	7.5
79.95747	78.2
80.96522	1.3
85.05965	1.2
96.96019	4.2
97.06570	1.8
123.04467	1.8
135.04536	4.9
148.05318	5.7
149.06075	5.6
163.04024	61.8
163.07693	9.9
164.04701	4.5
178.06367	73.1
179.07079	8.7
193.08713	56.6
194.08980	2.1
229.01689	10.3
243.03340	31.7
244.03601	1.7
259.02789	5.3
318.25809	1.5
343.04715	6.0
373.09418	4.6
423.29065	1.6
453.12299	100.0
453.29889	6.0
454.12479	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	453.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11147	0.9
59.01384	7.0
71.01378	5.1
71.28485	1.4
71.59248	0.9
73.02935	2.3
74.55596	0.8
74.78644	0.9
81.03469	1.0
83.01353	1.5
85.02959	1.6
89.02441	3.8
95.01405	2.9
101.02450	3.1
107.01404	1.4
108.02185	4.4
109.02962	7.0
111.00851	1.8
114.05605	1.2
119.04976	1.3
120.99635	3.4
121.03000	1.5
122.03758	1.1
123.00876	8.0
123.04538	1.9
124.01640	3.8
125.02488	10.8
126.02816	1.4
135.04546	1.6
136.01653	1.6
137.02452	24.0
137.06036	1.4
138.03209	2.2
139.00340	3.2
139.03984	3.2
140.01170	2.4
148.01620	1.4
149.02365	1.6
151.00450	1.4
151.04015	4.6
152.01115	3.7
152.04799	3.7
153.01945	3.1
153.05504	1.0
155.03503	1.2
156.06702	1.0
163.04008	2.1
164.01173	4.7
164.04974	1.2
165.01938	100.0
166.02370	3.5
167.03516	2.1
168.00626	1.5
169.01437	11.4
171.01921	1.1
179.03502	35.5
180.04288	58.2
181.04784	2.5
184.03799	1.9
188.04778	3.3
194.05847	8.5
195.02951	3.5
195.06630	71.0
196.06972	2.9
197.04608	1.7
197.08209	1.4
203.07193	3.9
210.05319	10.1
212.06903	8.0
213.07291	1.1
225.07690	45.4
226.08032	1.2
227.09247	22.1
228.09517	1.1
247.02568	2.1
275.01938	2.0
276.22095	1.1
279.13223	1.0
287.09305	2.2
289.07425	1.1
297.06207	1.9
300.99991	4.7
301.07175	1.7
313.05722	2.1
315.08688	4.0
316.03329	1.8
316.09613	1.2
330.11139	3.7
331.11777	4.7
345.13443	5.2
375.10880	6.6
390.13269	2.6
391.03162	2.7
405.15543	37.0
406.15842	4.3
453.10818	13.6
453.23428	2.6
454.13333	3.2
454.19873	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	453.177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.3
57.03446	0.3
59.01392	2.1
61.47381	0.2
61.98827	0.9
69.03458	5.0
71.01385	1.2
71.05017	0.3
73.02965	0.4
79.01898	1.0
81.03456	1.5
83.01393	2.2
85.02972	1.0
87.00894	0.2
89.02471	0.5
93.03480	0.9
95.01403	1.0
95.57566	0.3
96.96041	0.4
97.02966	3.7
98.22589	0.4
101.02461	1.0
107.01390	1.8
108.02229	0.3
109.02943	0.6
113.02474	0.6
119.03521	0.3
123.00890	1.8
123.04539	0.7
124.01712	1.7
125.02460	100.0
126.02814	3.1
137.02467	3.4
138.96207	0.2
139.00357	0.3
139.04042	2.2
139.11258	0.4
151.00333	0.4
151.04045	0.6
161.04613	0.4
165.01918	1.4
167.03557	0.5
168.00658	0.6
169.01421	2.8
169.55510	0.2
177.02032	0.3
179.03532	0.9
180.04309	0.9
183.10309	0.8
189.01952	0.4
195.06595	1.4
202.23656	0.3
209.08151	0.3
225.07689	0.7
231.06894	0.3
269.06750	1.3
287.07809	1.2
289.07230	0.6
289.10706	0.4
291.12357	0.4
313.05777	1.4
343.07266	0.7
405.15671	0.5
453.10461	3.8
453.17804	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	453.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15541	1.2
56.22146	1.0
59.01390	11.2
62.44051	0.9
67.01884	1.9
69.07494	3.9
69.07923	4.0
71.01401	7.2
75.30347	1.2
81.03472	1.5
84.63734	0.9
85.02979	1.6
89.02450	7.5
91.28876	0.9
93.03458	2.2
95.01398	1.7
98.14526	0.9
101.02453	4.1
107.01366	2.0
107.04964	1.3
109.02964	4.6
111.00887	1.1
113.02457	2.8
119.03522	5.1
121.03008	1.5
123.00885	5.0
123.04525	1.7
124.01682	3.4
125.02467	11.1
127.34711	1.1
131.03467	1.2
135.04521	1.4
136.01697	2.3
137.02461	30.8
138.03136	1.4
139.00378	2.0
139.04044	4.1
140.01213	1.5
141.01909	1.2
148.01666	1.3
149.02443	2.9
151.00426	2.5
151.04015	4.0
152.01187	1.1
152.04794	4.6
153.01970	2.2
153.05489	1.4
161.02402	1.2
163.00377	1.4
163.03986	3.4
164.01169	4.6
165.01945	100.0
166.02286	3.5
169.01376	7.0
175.03992	1.4
177.02025	1.4
178.99915	1.5
179.03508	41.4
179.05217	2.0
180.04298	56.9
181.04747	2.6
183.03015	1.6
184.03773	2.1
194.05890	8.1
195.02936	3.1
195.06638	81.3
196.06940	3.1
197.04655	1.2
210.05331	12.2
211.17018	4.4
212.06889	9.5
225.07707	49.6
226.08105	2.4
227.07089	2.1
227.09253	24.3
275.01984	1.5
283.05887	1.7
289.07095	1.7
293.57745	1.2
299.99301	1.4
300.99890	4.0
311.05215	1.5
313.05701	1.7
315.08746	5.4
330.11154	3.2
345.13446	6.1
375.10922	7.3
383.23380	1.0
390.13242	2.8
391.02997	1.4
405.15588	40.8
406.15820	4.3
453.10196	13.0
453.23489	7.3
453.33795	4.6
454.10541	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.9
57.03424	0.7
58.00574	0.8
59.01380	21.6
62.97791	0.6
67.01881	1.5
68.99769	0.6
69.03450	0.8
69.15474	4.9
71.01389	9.8
72.99297	1.1
73.02959	4.4
73.53140	0.6
81.03493	0.6
83.01392	1.6
85.02953	3.9
87.00889	1.7
89.02440	7.5
93.03483	0.9
95.01409	3.2
97.02936	2.0
99.00877	1.0
101.02452	12.5
103.04034	3.7
107.01397	7.9
109.02944	1.7
109.63637	0.7
111.00884	2.6
113.02441	3.1
115.03974	1.1
119.03505	3.4
119.05009	0.7
121.02952	0.7
123.00890	17.5
123.04520	0.6
124.01685	19.5
125.02458	50.9
126.02778	1.8
127.00405	1.6
131.03505	1.1
136.98793	1.2
137.02487	5.3
138.03168	1.0
139.00394	4.2
139.04018	17.8
140.01160	3.8
143.03513	2.1
145.05106	0.9
151.00374	7.8
151.04001	0.9
153.01973	0.9
155.80525	0.7
161.02402	0.9
161.41382	0.8
163.04010	1.5
163.06136	14.7
165.01938	15.3
166.02457	0.7
167.03448	1.0
168.00648	3.1
169.01434	58.2
170.01761	2.5
179.03539	4.8
180.04294	10.7
183.02989	1.5
185.02362	0.8
187.03947	0.9
189.01913	1.3
191.03481	0.9
194.05823	1.1
195.02921	1.1
195.06635	16.2
195.52029	0.7
196.07007	0.8
201.02051	0.9
203.03513	1.2
205.07170	4.7
209.08163	2.2
210.05284	2.4
211.02437	1.4
215.03455	1.1
219.02982	0.7
225.07697	9.1
229.01483	1.5
231.03069	1.6
241.03569	0.7
243.02931	1.1
243.08595	0.7
247.11919	2.9
258.01434	1.0
259.02527	1.3
265.09238	1.7
269.01050	0.7
275.01990	2.3
285.00128	0.8
289.07108	1.6
297.06339	1.0
300.99850	5.2
302.00223	0.8
313.05667	17.3
314.06119	0.8
315.01382	1.6
350.94846	0.7
391.03085	2.0
393.17636	9.2
394.18161	0.8
397.01346	0.8
438.08136	1.1
453.10379	100.0
454.10742	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2165
Annotation	Tetrahydrogeranylgeranyl diphosphate
Peak:m/z	Relative Intensity
56.11213	0.5
59.01391	4.6
69.20513	2.6
69.20934	0.9
77.52071	0.5
79.95725	2.2
80.96513	0.6
85.01505	0.5
96.96017	100.0
103.36091	0.5
125.02421	0.7
169.15918	0.7
175.59097	0.5
249.22012	0.6
293.24927	1.3
295.22879	1.5
311.25922	12.1
311.99124	2.4
313.23846	20.8
314.24255	1.1
327.01651	1.2
355.24847	2.1
373.25940	13.3
374.26193	2.3
391.21686	3.4
393.19504	2.8
437.86276	1.0
452.89279	0.6
453.21628	71.4
453.33823	2.1
454.21881	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	453.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	6.0
57.03447	4.7
58.00572	2.1
59.01381	54.6
69.03431	2.1
71.01385	72.3
71.29772	0.7
72.01703	0.9
72.99305	4.1
73.02950	28.4
73.09902	0.6
75.00851	2.5
81.03433	1.0
83.01388	23.3
85.02955	34.2
86.00090	1.0
87.00871	4.5
87.04491	1.0
89.02451	17.7
89.97646	0.6
93.03450	0.9
95.01405	6.8
97.02937	3.6
99.00884	11.2
101.02448	71.6
102.02769	1.6
103.04020	4.6
108.02165	2.7
109.02937	4.2
111.00912	3.4
111.04506	0.8
113.02455	27.4
115.03976	0.9
119.03503	6.4
120.99657	1.7
121.02956	8.3
123.00867	2.8
123.04539	0.7
125.02458	8.1
129.01888	1.7
131.03494	1.1
139.00365	0.8
139.03967	1.2
140.01138	1.7
141.01917	1.1
143.03484	5.5
145.05063	2.6
145.12338	1.7
152.01122	2.8
153.01968	3.0
155.03487	1.5
159.02992	7.0
161.04559	33.6
162.04893	0.8
162.71298	0.6
163.06104	4.5
165.02003	0.8
169.01407	3.4
175.03943	1.0
179.03416	0.7
179.05582	0.7
180.04214	0.9
195.06622	0.8
203.03519	5.1
203.11058	1.0
205.03397	0.9
205.07188	1.3
229.01108	0.7
229.07065	2.9
247.08182	3.1
249.06088	8.1
261.13367	2.1
275.01721	0.7
289.16443	0.7
300.99973	2.2
307.17624	100.0
308.18005	6.6
371.09863	8.9
372.10083	1.3
373.12372	0.7
382.53284	0.8
392.03732	1.3
393.07132	2.6
393.17462	1.1
453.09793	5.3
453.23453	43.4
453.33548	1.1
454.23932	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	453.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	6.5
55.71898	0.5
57.03449	4.5
58.00595	1.3
59.01384	42.1
60.01726	0.8
61.98841	2.2
68.88454	0.6
68.99814	0.5
69.03470	1.1
69.30013	3.1
71.01386	60.7
72.01743	1.1
72.99304	3.1
73.02951	29.9
75.00879	2.0
80.91683	4.0
81.03465	1.5
83.01391	15.3
85.02958	30.4
86.00114	1.7
86.03295	1.1
86.22324	0.6
87.00878	4.9
87.04538	0.9
89.02452	15.2
89.02961	1.0
91.35256	0.5
93.03490	1.3
95.01386	6.3
97.02956	4.2
98.22536	0.9
99.00881	10.6
99.01455	0.7
99.04523	0.7
101.02451	62.7
102.02784	1.3
107.01438	0.9
107.04967	0.6
107.29294	0.6
108.02197	2.0
109.02973	1.9
111.00893	4.5
113.02457	22.2
114.02795	1.0
115.04035	2.5
119.03532	1.3
120.99683	2.0
123.00893	7.0
123.04554	2.4
124.01654	2.8
124.04839	0.9
125.02505	6.9
126.02837	0.6
129.01961	2.1
131.03513	3.1
133.68332	0.5
135.04520	0.6
137.02477	2.1
137.82721	0.5
138.01987	5.3
138.03241	1.9
139.00427	0.8
139.02370	2.7
139.04015	6.2
140.04398	0.8
141.01991	1.6
143.03534	3.3
149.04568	2.2
149.05962	0.5
151.00423	1.2
151.04138	0.7
152.01143	2.3
153.01891	2.1
157.12395	1.2
159.03008	6.1
159.13937	1.6
161.02513	1.3
161.04570	24.1
162.05002	0.6
165.01988	0.9
165.09230	0.7
167.03542	2.6
168.03827	0.6
169.01445	3.8
169.04002	1.2
170.01817	0.8
179.03490	0.8
184.49820	0.5
191.05553	0.7
193.05267	0.5
205.03542	1.2
209.08214	4.9
210.08530	0.6
219.02994	0.7
233.06654	2.9
264.15195	0.6
273.07819	0.9
289.15555	0.7
291.08725	0.6
293.08627	0.8
299.06625	0.7
311.07748	1.1
312.08182	1.4
313.05225	1.0
313.08655	2.9
314.06036	3.1
321.19193	100.0
322.19547	7.0
324.38013	0.5
334.06409	0.6
341.06934	0.6
343.07355	1.5
371.13351	1.4
381.03546	0.6
410.21167	0.6
453.13873	10.2
453.23392	65.5
454.13516	0.9
454.23868	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	453.3014
Annotation	Wilforic acid
Peak:m/z	Relative Intensity
57.03435	0.5
59.01366	0.7
66.10841	0.4
67.45969	0.4
68.07487	0.4
68.19331	0.4
69.22197	3.0
80.02664	0.5
85.06583	1.1
85.54258	0.5
101.01710	0.5
111.04467	0.4
125.09684	0.7
135.08098	0.8
137.09669	0.5
149.09749	0.8
149.10934	0.4
159.10265	3.0
311.22311	3.9
341.24973	0.7
391.29843	1.4
407.29282	2.3
409.26221	0.7
409.31146	11.2
410.31387	1.8
435.28873	1.2
453.29980	100.0
454.30307	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	453.3013
Annotation	Ilekudinol A
Peak:m/z	Relative Intensity
57.03449	3.0
62.10062	0.9
66.34985	0.9
69.10439	6.4
69.47416	0.9
97.06605	5.2
98.22531	2.2
99.70139	0.9
125.09727	1.1
146.68855	1.0
171.08197	2.1
351.26971	1.3
391.30069	10.6
392.30557	1.5
405.31671	5.5
407.33365	16.4
408.33472	1.3
409.31375	9.0
410.31265	1.1
423.29321	1.9
435.29041	1.3
437.30441	1.6
439.32144	2.4
453.29581	76.4
453.33984	100.0
454.29916	9.0
454.34323	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	453.3016
Annotation	Ilekudinol A
Peak:m/z	Relative Intensity
69.14980	0.7
69.15401	1.3
72.47874	0.3
79.93130	0.3
83.69241	0.3
99.04498	0.8
107.59774	0.3
117.78506	0.3
142.41138	0.2
239.08319	0.3
246.23193	0.3
360.30936	0.3
363.27106	0.4
377.28265	0.3
389.28375	0.4
391.26208	0.6
407.29535	4.4
408.30005	0.5
453.29892	100.0
454.30200	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	453.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52702	0.2
71.28263	0.4
143.92516	0.3
380.92517	0.3
453.33771	100.0
454.34143	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	453.3362
Annotation	Unknow
Peak:m/z	Relative Intensity
63.80115	0.2
69.61682	0.6
69.62085	0.5
71.64965	0.2
80.89062	0.2
82.43302	0.2
98.22489	0.5
121.24827	0.3
180.85431	0.2
219.72595	0.2
391.29886	0.3
405.31677	0.3
407.33371	0.4
450.92468	0.2
453.33768	100.0
454.34122	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	453.3365
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
60.99328	0.4
68.56857	0.2
71.05021	0.5
71.28574	0.3
97.06585	3.5
98.06899	0.2
117.29826	0.2
127.07625	0.2
225.19733	0.2
291.40854	0.3
306.25024	0.3
375.26755	0.5
377.28845	0.4
389.28564	1.0
391.30130	5.8
392.30533	0.8
403.30447	0.4
405.31668	4.2
406.32156	0.9
407.33231	10.6
408.33582	1.5
409.31055	0.4
423.28928	1.2
424.29608	0.2
425.34021	0.3
437.30762	1.3
439.32019	1.0
451.32474	0.5
453.33850	100.0
454.34186	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	453.3379
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
57.01838	0.3
58.44571	0.2
61.05635	0.3
69.15056	2.2
94.67876	0.3
97.06575	0.4
149.59279	0.3
171.10225	0.3
178.24287	0.3
207.10275	1.8
235.13440	0.8
311.13693	0.3
393.31454	0.5
453.33762	100.0
454.34097	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	453.3375
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
167.01649	0.2
254.20927	0.2
308.89490	0.2
389.60126	0.3
398.18439	0.2
453.33752	100.0
454.34091	14.5
476.44159	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
88.19203	0.3
91.98413	0.3
113.77958	0.3
167.61658	0.4
239.06023	0.4
248.28572	0.4
261.92172	0.4
339.26682	0.4
392.35104	0.4
453.33755	100.0
454.34100	12.7
454.39056	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87053	0.5
63.79612	0.5
71.28117	0.6
73.58444	0.5
168.16075	0.5
171.08566	0.5
179.07172	0.8
182.04268	0.5
191.14404	1.7
192.07909	3.1
192.14851	0.5
195.24405	0.5
198.35672	0.6
207.10269	58.9
208.10570	3.2
219.10519	0.6
221.11803	1.0
235.13370	14.4
236.13924	0.9
242.22589	0.6
249.14964	0.9
251.16583	1.5
302.68378	0.5
453.33749	100.0
454.34161	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	453.3376
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
51.44333	0.4
54.36288	0.3
63.18840	0.3
64.19234	0.3
69.45312	0.6
69.45715	1.8
112.39067	0.3
126.62988	0.3
142.97739	0.3
179.07120	1.1
191.14397	1.8
192.07939	2.7
206.09433	0.7
207.10271	43.3
208.10608	2.9
220.11021	0.8
221.11856	8.9
222.12260	0.7
233.11813	1.2
235.13380	16.5
236.13737	1.1
249.15038	0.4
251.16533	1.1
282.29221	0.4
381.24387	1.5
396.27011	0.5
453.33752	100.0
454.34094	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52689	0.2
61.73153	0.2
68.10862	0.2
68.99104	0.2
69.21349	1.5
86.51404	0.2
100.70480	0.2
129.60565	0.3
307.18613	0.3
312.37622	0.3
337.55481	0.2
405.31628	0.4
453.33749	100.0
454.34103	14.1
454.39136	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.7
59.01381	6.1
69.03473	1.1
71.01385	6.2
71.29597	0.8
72.99299	0.7
73.02956	1.2
81.03448	2.0
83.01407	0.9
84.05374	0.7
85.02966	3.5
89.02438	2.7
93.03448	5.3
95.01385	7.3
96.96037	1.2
97.02960	0.7
101.02446	3.2
102.02809	1.0
107.01405	2.5
108.02182	100.0
109.02973	44.9
110.03309	1.5
110.12633	0.7
111.00868	1.2
113.02462	2.3
114.05611	30.3
119.03490	0.8
120.99650	1.0
121.02977	1.3
123.00896	13.1
123.04523	1.9
124.01633	2.2
125.02473	12.7
126.02779	2.1
133.02994	1.0
135.00845	0.8
135.04523	0.8
136.01666	1.5
137.02458	8.7
138.05653	1.0
139.00375	1.7
139.04025	1.9
140.01155	1.2
143.56577	0.7
151.00395	1.3
151.04021	2.3
152.01163	74.0
153.01956	23.3
154.02275	1.0
156.06670	11.6
161.02408	0.9
161.04553	0.8
163.04030	2.4
165.01956	3.5
165.05614	1.9
166.02263	0.9
166.99919	1.5
168.00684	1.2
169.01437	14.9
170.01779	3.1
173.02394	0.7
177.01888	1.2
179.03522	4.9
180.04227	1.1
195.06645	1.9
196.07040	1.6
197.51424	0.6
203.03581	0.9
204.64076	0.8
206.12009	0.7
209.04582	1.1
221.04124	0.7
225.07730	1.5
226.08127	1.1
229.01404	0.8
231.03069	0.8
239.05672	2.7
248.12479	0.8
249.03981	0.8
257.00800	0.8
275.02054	3.1
287.45560	0.8
292.11990	1.5
293.03036	0.7
293.16196	1.4
297.06192	1.3
299.99173	0.9
300.99869	5.1
301.02783	0.7
314.06042	1.4
315.07452	1.0
315.53036	0.9
316.03445	0.8
316.53577	1.6
335.13489	3.8
382.02740	1.6
382.52591	0.9
391.53409	1.3
392.03891	4.0
392.54312	1.3
394.18106	3.1
454.13690	91.2
455.15237	11.3
455.35217	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53505	1.4
61.98833	100.0
70.57839	2.9
70.58155	1.8
73.49838	1.4
74.49673	1.3
92.04950	1.5
97.88675	1.4
98.43092	1.4
125.87357	4.2
126.88180	1.8
156.09100	1.9
157.86378	2.5
184.53220	1.5
196.80859	1.6
198.10472	1.6
214.98810	1.5
238.93199	1.6
407.34296	1.5
437.30682	2.2
454.06219	8.8
454.30115	3.4
455.06616	2.4
455.31696	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	455.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	8.8
57.03436	1.4
59.01385	6.4
64.58686	0.6
68.99809	2.1
69.03473	0.8
71.01385	9.1
71.27972	0.9
72.99299	1.5
73.02945	2.8
76.28946	0.6
83.01394	29.2
85.02966	0.9
87.00868	1.0
87.13280	0.6
89.03934	0.7
95.01360	0.7
95.04980	0.7
97.03001	0.8
99.00889	75.7
100.01220	0.9
101.02453	66.5
102.02793	1.0
105.01966	1.1
111.00897	0.9
117.03454	5.4
123.00791	0.7
135.00909	0.9
137.02475	0.8
141.01927	1.0
142.99852	0.8
149.02496	1.0
151.00421	0.7
157.02748	0.7
159.02998	30.3
161.02419	2.1
163.00375	2.9
169.01367	0.8
173.02448	1.3
173.06122	0.8
175.00360	1.5
185.02412	0.9
187.03920	0.7
189.01753	0.7
198.03181	0.8
202.99847	1.5
221.06006	1.2
224.04694	1.1
237.05481	1.0
239.03575	1.9
240.04207	1.9
245.00989	0.9
249.05431	0.9
253.05154	1.4
255.02968	2.6
264.04279	0.8
265.05060	3.1
266.05780	2.3
267.06131	0.9
268.03784	62.0
269.04166	5.7
277.05038	2.5
278.05896	3.0
280.03787	7.1
281.04562	15.1
282.05322	32.1
283.06131	100.0
284.06549	7.7
289.05106	1.0
290.05792	3.3
291.03043	1.2
291.06277	1.3
292.03720	3.5
292.06580	0.8
293.04602	63.4
294.05313	33.4
294.08685	1.4
295.06030	12.3
297.07669	6.3
299.09259	0.8
303.06647	3.5
304.07193	1.0
305.04639	2.6
305.08002	0.9
306.05206	4.6
307.02536	0.9
307.05957	1.3
308.03256	2.6
309.07697	75.6
310.04813	1.1
310.08035	6.1
314.04327	1.0
318.05267	1.5
319.05942	4.5
319.09427	1.0
320.03226	4.7
320.06714	1.6
321.03976	4.4
321.07697	2.4
322.04919	3.3
323.05634	7.0
325.07196	23.5
326.07510	2.3
327.08575	1.0
333.04095	1.9
333.07666	1.3
334.04910	4.1
335.05722	8.5
335.09259	1.3
336.06070	0.9
337.07220	23.6
338.07437	1.7
339.08771	2.0
347.05579	1.1
348.06305	2.2
349.03497	1.2
349.07123	4.5
351.08749	3.4
353.06671	70.9
354.06982	6.8
355.08286	12.6
355.53995	0.7
356.08691	0.8
362.04364	4.6
363.08719	9.2
365.06552	3.4
367.08206	2.4
371.07739	15.2
372.08163	1.0
377.06714	15.4
378.07031	1.8
379.07950	1.3
381.09967	1.0
383.07813	0.9
391.08054	1.9
393.09760	2.2
395.07755	2.7
409.09305	1.9
411.10883	2.4
427.10291	2.5
437.09067	3.2
455.09860	79.4
455.35364	2.0
456.10287	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	455.099
Annotation	Epigallocatechin 3-O-vanillate
Peak:m/z	Relative Intensity
57.03450	13.2
59.01385	1.8
61.98816	1.3
62.55595	1.0
65.66930	1.0
67.64198	1.0
70.60596	1.6
71.01378	3.2
77.25479	1.2
79.95742	16.5
81.03486	2.5
83.01411	5.7
85.02962	1.4
93.03486	1.7
95.01401	2.2
95.05038	2.3
96.96021	63.0
98.22441	1.3
99.66648	1.1
105.03461	3.2
108.02188	25.2
109.02963	48.1
110.03300	1.0
121.02975	1.7
123.00901	3.3
123.04535	4.1
125.02460	100.0
126.02820	2.2
132.02228	1.3
133.02962	2.0
135.04529	3.1
137.02455	13.2
139.04092	2.4
140.01137	1.0
147.04605	1.5
149.02509	2.2
150.57039	1.1
151.00438	1.4
151.04030	2.2
152.01160	22.9
153.01947	27.0
161.02461	42.6
162.38626	1.1
164.01195	2.1
165.01929	6.8
165.42412	1.1
167.03539	9.8
170.34268	1.0
175.04044	2.6
177.05611	3.3
179.03535	4.9
199.03943	1.3
201.05545	2.4
219.06682	2.1
229.01472	1.3
241.05029	1.8
243.06683	3.7
257.08325	2.8
269.04526	1.7
272.06839	1.2
287.05502	4.6
287.09137	1.2
289.07169	2.3
303.12009	1.2
305.06732	14.2
315.07248	1.1
330.10953	1.7
354.55084	1.0
455.10080	36.9
455.15723	42.5
456.10327	2.3
456.15836	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	455.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68347	0.7
54.11331	0.7
58.35558	0.7
59.01101	1.4
59.01383	27.1
61.70605	0.7
69.34818	3.7
73.02954	5.9
77.47544	0.8
79.95744	48.2
80.96519	1.0
96.96019	9.9
108.02177	3.3
109.02930	0.9
111.54052	0.7
111.56172	0.7
119.05039	3.5
120.67356	0.9
121.02957	4.1
123.04537	4.6
124.01667	2.2
125.02484	1.5
134.03754	1.1
135.04541	15.3
136.05327	7.5
148.05357	1.2
149.06113	1.4
150.03223	1.4
151.04010	3.6
151.07669	5.8
163.07742	1.6
164.04803	1.2
165.05566	3.1
179.07126	2.6
183.02979	1.8
194.05865	7.6
195.06635	76.8
196.06978	3.5
208.39743	0.8
209.08200	28.5
210.08554	1.8
229.01804	1.5
243.03345	5.9
259.02777	2.5
289.07172	1.6
295.77316	0.8
346.81696	0.8
355.05014	0.8
375.14511	19.1
376.14893	2.1
455.10184	100.0
456.10529	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	455.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.3
59.01383	9.1
61.03090	1.1
69.59402	4.3
71.01376	4.5
71.01717	1.0
71.34502	0.9
73.02923	1.5
79.95745	33.2
80.96525	3.2
83.01397	1.4
85.02937	2.3
88.88815	1.0
95.95231	11.0
96.96021	90.9
101.02447	6.0
108.02184	1.7
109.02975	7.6
110.97596	3.9
113.02502	2.5
123.00925	1.7
123.04541	1.3
125.02462	2.9
135.04550	2.4
136.01685	5.1
137.02422	3.1
141.95872	1.4
149.02429	1.2
151.04073	5.2
152.01176	1.6
161.04543	2.2
161.05936	1.0
165.05602	1.6
167.00182	3.0
169.01437	1.4
179.03577	1.9
191.07129	1.6
216.32277	1.1
239.07013	1.3
247.34901	1.1
249.13464	10.8
257.01248	1.4
259.02829	2.6
260.80945	1.1
267.06665	8.3
282.08984	10.0
297.11346	17.1
298.11789	1.5
298.15451	1.2
327.12424	3.0
342.58707	1.2
345.13409	2.1
395.19281	10.0
440.07877	4.4
455.10245	100.0
456.10495	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
70.40848	1.3
79.95741	31.5
80.96498	1.1
84.93332	0.4
85.10803	0.5
91.71405	0.5
95.95242	13.0
96.96017	100.0
108.02190	0.5
109.02943	1.3
109.96857	0.5
110.97591	4.1
135.04521	1.1
136.01660	0.8
136.99207	0.8
137.02460	1.4
141.95804	0.6
144.84982	0.4
151.04033	1.0
158.24503	0.5
160.79565	0.4
163.03963	0.8
164.98656	0.5
167.00174	3.0
177.05637	1.3
179.03496	2.1
181.29483	0.5
257.01352	0.9
259.02789	1.9
259.45209	0.5
263.94669	0.5
267.06671	0.7
282.09009	1.3
297.11334	1.4
413.03296	0.5
422.46082	0.5
440.07852	3.5
455.10208	80.2
456.10535	7.7
460.62079	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03471	0.5
59.01368	2.2
61.98826	1.9
68.96943	0.8
68.97337	3.7
69.03408	0.5
71.01379	4.6
73.02950	1.0
78.65836	0.4
79.01939	0.5
81.03468	1.7
82.40610	0.5
83.01397	1.2
85.02961	4.4
87.00886	0.6
93.03446	1.4
95.01390	3.0
96.96004	0.5
97.02997	0.6
99.00904	0.5
101.02441	2.7
108.02183	76.2
109.02964	64.7
110.03298	1.1
113.02470	2.0
120.99689	0.6
121.02934	0.9
123.00876	3.6
123.04530	0.9
125.02471	2.1
128.19351	0.4
137.02432	1.4
137.06091	0.6
139.04016	0.6
151.04091	1.1
152.01164	68.6
153.01947	34.2
154.02277	0.8
157.08727	3.6
161.02440	0.8
161.04590	1.7
163.04053	1.0
165.02010	1.1
174.98315	0.4
195.02972	0.8
209.11928	0.6
263.15015	1.8
297.06314	0.7
315.07117	2.3
409.20901	1.3
455.15616	100.0
456.15839	10.2
456.21750	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.9
63.02392	0.7
66.14420	0.5
66.72392	0.5
71.28720	0.7
79.01930	0.8
80.00389	0.5
83.84521	0.5
85.06582	0.7
95.05036	0.8
110.44809	0.5
111.04534	13.7
113.09736	3.2
113.76360	0.6
115.30087	0.6
118.32771	0.5
123.08183	3.6
125.06078	2.2
125.09758	1.6
139.04044	1.2
151.07651	0.7
165.09248	3.1
167.07141	2.2
181.08725	24.0
182.08995	1.1
189.05518	0.8
195.17834	0.6
203.03476	1.0
204.04280	4.9
207.10292	1.9
209.08203	10.1
217.08696	3.0
219.06638	53.9
220.06946	3.2
229.08783	0.8
238.08528	1.1
241.08835	0.6
243.10222	1.0
245.08084	1.6
251.23792	1.4
259.09689	3.4
261.11316	2.3
269.08237	1.1
273.11380	3.1
281.11835	0.8
283.09723	2.4
287.09253	10.1
288.09561	0.7
299.09299	2.0
299.12985	6.4
325.07257	0.6
325.10870	2.0
339.12289	1.4
341.13986	2.1
343.11841	4.5
353.10333	0.8
355.15503	2.6
367.11655	1.1
381.13657	0.6
383.15012	26.3
384.15561	3.8
385.12729	0.8
393.17145	0.8
411.13455	0.8
411.18369	7.0
412.18509	1.1
454.28290	0.6
454.34189	2.2
455.17206	64.7
455.24442	19.3
455.35330	100.0
456.17203	7.1
456.24884	2.6
456.35620	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	455.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.8
59.01354	0.3
67.01891	4.3
71.28123	0.2
85.02963	1.0
87.00883	6.3
105.37115	0.2
111.00890	100.0
112.01241	2.0
113.57174	0.3
129.01944	0.3
147.94238	0.2
154.99876	0.6
172.99457	0.4
173.00922	6.7
226.58891	0.3
281.17560	0.5
455.32028	2.8
456.32227	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.6
76.10596	0.5
85.06591	0.6
90.88680	0.5
98.22523	1.7
111.00951	0.5
111.04532	8.9
113.09729	7.2
123.08170	2.0
125.06091	0.7
139.04013	1.0
160.86140	0.5
165.09241	1.5
166.02820	0.6
175.07559	0.7
181.08720	38.2
182.02293	0.6
182.09074	2.0
203.03516	3.6
204.04289	9.6
205.04605	0.8
209.08197	5.8
210.08522	0.5
215.03822	0.5
217.08705	1.2
219.06628	100.0
220.06937	5.8
228.77287	0.5
238.08467	1.7
243.06693	1.1
245.08246	1.3
259.09772	2.3
261.11307	1.7
269.08264	0.6
273.11292	5.3
283.09793	0.9
285.07434	0.5
287.09268	6.5
293.59128	0.5
299.12888	3.5
311.08957	0.5
325.10825	1.6
326.11816	0.7
341.13968	1.5
341.28412	0.5
343.11823	3.1
355.15714	0.9
367.08200	1.3
369.09805	3.8
370.09927	0.6
383.14877	0.9
385.13092	0.5
411.14261	2.8
411.18192	3.8
455.16006	37.8
455.21695	9.2
455.35312	26.7
456.17328	3.6
456.21973	2.0
456.35635	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	455.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.0
57.03436	4.0
58.00568	1.3
59.01385	77.4
61.98835	1.9
69.03342	8.0
69.03742	2.9
69.90466	1.3
71.01388	47.1
72.99294	3.8
73.02959	22.6
73.26891	1.1
74.42432	1.0
75.00864	1.7
79.95741	11.5
81.03469	1.5
83.01393	14.9
85.02961	26.8
87.00893	2.6
89.02448	7.7
93.03488	1.5
95.01390	6.8
95.05040	3.0
95.95235	4.0
96.96022	31.2
97.02934	1.7
99.00883	7.7
101.02455	52.1
101.03131	2.7
102.02839	1.7
103.04024	2.4
103.48919	1.3
103.89006	1.4
108.02180	29.0
108.28716	1.4
109.02970	23.9
111.00848	1.5
113.02465	19.8
113.06072	2.4
118.09740	1.2
119.03510	3.3
120.65646	1.2
120.99658	1.5
123.00871	3.4
123.04505	1.9
125.02448	5.5
129.01962	1.7
129.74597	1.1
133.05125	1.2
134.07480	1.5
137.02475	2.2
143.03571	1.9
151.00404	1.4
151.04042	2.7
152.01161	28.7
153.01944	12.8
159.02998	2.9
161.02501	1.6
161.04585	21.7
168.00648	1.3
169.01405	5.3
177.01953	5.9
207.30872	1.2
211.02638	1.6
249.13451	91.2
250.13835	6.2
271.04675	2.1
280.59497	1.6
315.07202	9.1
371.27625	1.2
395.19217	100.0
396.19485	11.1
411.12930	1.7
455.11398	55.2
456.11743	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	455.2442
Annotation	strongylophorine-26
Peak:m/z	Relative Intensity
83.85209	0.5
89.78851	0.5
104.21897	0.9
105.14589	0.5
153.28912	0.5
164.67018	0.5
174.05385	0.4
219.06517	1.1
264.40805	0.6
270.08850	0.5
284.06815	2.0
285.39859	0.5
298.08380	1.3
299.09286	2.7
311.05429	1.1
312.06454	2.6
325.07181	4.7
326.07617	0.8
340.13229	0.7
349.10986	0.7
350.11444	1.3
365.13892	7.7
366.13953	0.7
368.12598	1.4
383.15015	100.0
384.15405	10.8
396.24841	0.6
455.24509	92.4
455.34683	19.3
456.24878	11.2
456.35324	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	455.2456
Annotation	strongylophorine-26
Peak:m/z	Relative Intensity
56.64533	0.4
56.71000	0.4
60.05732	0.5
64.61651	0.5
70.92474	0.5
70.92791	0.8
103.01868	1.1
104.21937	0.9
123.04506	1.2
181.08641	1.9
206.03830	0.4
207.10333	3.0
212.85799	0.5
219.06580	1.1
255.10205	0.7
266.78363	0.5
269.95422	0.5
281.08209	1.7
284.06924	1.4
298.08466	0.9
299.09305	8.3
312.06396	0.6
325.07190	2.6
339.08438	0.6
339.12277	1.1
339.15967	1.1
340.13162	1.2
353.10257	1.3
365.14026	3.4
368.12650	1.5
371.18616	1.7
383.15018	100.0
384.15320	9.7
384.20062	0.8
387.21075	0.5
397.16742	0.7
454.34128	6.3
455.24454	94.2
455.34363	33.2
456.24771	11.5
456.34576	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	455.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76175	0.4
55.63736	0.4
63.96243	1.7
68.99832	1.0
69.04892	2.6
69.05304	0.8
81.03471	1.7
91.05557	0.7
95.01371	2.7
95.05075	1.1
107.05044	2.6
109.02961	1.0
111.04539	0.8
119.05055	2.8
121.02960	0.8
121.06612	1.9
122.03801	0.8
123.04559	0.8
125.06097	0.9
133.06662	1.1
135.04536	15.8
137.06088	5.1
142.71281	0.4
147.04547	3.0
149.02498	0.4
150.03244	0.5
150.06917	0.7
151.02293	0.6
163.04062	0.9
168.74495	0.4
177.05614	0.5
179.01765	0.8
180.02571	1.7
182.05920	1.4
195.06725	1.2
201.05659	0.4
206.09644	0.4
212.01534	2.2
219.06676	1.3
221.11810	5.8
222.12103	0.6
235.13492	1.2
260.73502	0.5
261.18692	0.6
290.35794	0.5
293.15930	1.2
294.16638	4.7
326.15588	13.0
327.16055	1.0
339.27133	1.2
411.32889	1.0
455.21487	6.6
455.35605	100.0
456.35901	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	455.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	6.7
62.67006	0.6
63.19408	0.7
69.03447	0.8
69.88818	2.5
71.05013	1.2
73.30358	0.6
83.05018	1.2
95.05039	1.8
97.06595	12.5
100.53316	0.8
111.08190	3.9
113.09740	2.6
123.08185	6.6
125.09734	82.6
126.10059	2.4
139.11272	2.1
143.10808	0.9
169.08661	2.7
171.10265	1.3
173.11880	3.7
181.08720	12.1
187.08095	1.6
187.09766	28.5
188.10019	0.9
203.03484	1.4
204.04248	5.5
209.08160	0.9
219.06630	53.3
220.06924	2.4
237.18655	1.8
267.19675	2.2
281.17627	1.6
285.20718	32.3
286.21033	2.2
299.18689	1.7
349.48285	0.8
375.12698	0.9
393.13300	1.6
393.30115	1.9
409.30887	1.4
411.14499	5.4
437.29214	4.1
455.21005	16.0
455.30286	100.0
456.21155	1.3
456.30652	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	455.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
65.45773	0.7
96.02532	0.6
97.06573	1.6
223.29893	0.7
273.18671	0.8
289.21692	1.1
329.24667	0.9
343.26196	1.0
393.27255	0.9
393.32050	4.9
395.29611	3.0
409.31125	2.5
411.08148	0.7
411.32733	13.5
412.32907	1.6
437.30765	1.0
453.33823	1.1
455.30521	21.4
455.35217	100.0
456.36627	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	455.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06094	0.2
57.03190	0.2
57.03452	2.7
60.60788	0.2
62.65930	0.2
68.03924	0.2
69.03461	1.7
81.77325	0.1
86.45977	0.2
94.63622	0.2
97.06620	0.2
125.98295	0.2
219.06587	0.7
393.31625	0.3
395.29642	0.5
409.31149	0.3
411.14374	0.2
411.32742	4.0
412.33179	0.3
437.30353	0.8
438.30563	0.2
455.31641	100.0
456.31989	14.9
456.41223	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3169
Annotation	Ilekudinol B
Peak:m/z	Relative Intensity
52.37854	0.3
52.40829	0.4
54.60189	0.4
57.03453	0.5
59.01382	0.7
66.66206	0.4
70.56158	0.5
70.56477	0.6
71.05023	3.3
71.51388	0.4
74.62511	0.4
83.05035	1.0
88.61665	0.4
119.45376	0.4
121.81691	0.4
128.39081	0.4
136.22862	0.3
149.95030	0.4
351.26920	2.3
353.28360	0.8
371.25461	0.5
381.28024	2.3
391.30209	0.9
393.31802	2.0
409.31158	0.5
411.32785	41.9
412.33008	4.9
425.30667	0.5
437.30923	0.9
455.31772	100.0
456.32092	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	455.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
65.45773	0.7
96.02532	0.6
97.06573	1.6
223.29893	0.7
273.18671	0.8
289.21692	1.1
329.24667	0.9
343.26196	1.0
393.27255	0.9
393.32050	4.9
395.29611	3.0
409.31125	2.5
411.08148	0.7
411.32733	13.5
412.32907	1.6
437.30765	1.0
453.33823	1.1
455.30521	21.4
455.35217	100.0
456.36627	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	455.317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45570	1.1
59.01385	27.2
59.95876	0.9
62.79723	1.0
69.40793	2.8
69.41216	3.5
90.81770	1.0
104.31171	1.2
125.06011	1.1
181.08594	1.9
219.06462	2.0
221.11723	1.6
223.09892	2.1
275.09134	1.8
349.28867	2.2
369.13095	4.5
377.28186	3.5
380.22290	1.3
383.29590	34.5
384.29449	4.7
386.31924	1.1
387.21509	1.5
393.31613	22.8
394.31799	2.6
411.14133	1.2
411.32700	65.1
412.33035	9.7
455.20285	2.9
455.31229	100.0
456.31732	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	455.317
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.5
60.45222	0.4
76.20761	0.5
82.68060	0.5
96.99357	0.4
97.06633	0.5
112.90991	0.4
125.09734	0.7
128.50389	0.4
134.01286	0.5
137.09863	0.6
141.09271	0.7
161.06104	0.7
175.07706	0.6
181.64670	0.5
203.07132	1.1
221.08168	2.2
233.04619	0.6
365.28214	0.6
393.27795	0.9
395.29279	0.6
407.29492	1.0
409.31146	3.1
411.28748	0.5
411.32855	5.1
412.33478	0.8
419.29507	1.2
437.30463	0.9
455.31662	100.0
456.32019	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	455.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57542	1.4
50.57807	1.4
54.01986	1.4
59.01394	1.5
69.13916	9.6
73.02962	13.8
82.17155	1.3
83.05067	1.5
95.05101	1.6
97.06625	1.9
99.00954	1.7
111.08167	1.8
136.51816	1.4
253.61594	1.4
309.18448	1.3
349.25461	2.0
379.26553	1.5
405.27982	2.0
407.30341	1.5
411.33072	3.1
419.29727	1.7
423.29074	8.1
425.26743	3.3
437.31009	7.3
439.28891	3.0
455.31921	100.0
456.32242	15.7
459.58990	1.7
480.36819	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94089	0.6
57.03436	1.1
60.99307	0.8
68.55628	0.5
69.52682	0.6
69.82695	2.4
101.49533	0.6
102.76777	0.6
152.54980	0.6
181.08730	0.8
193.89780	0.6
195.06688	0.9
330.06757	0.9
331.10284	0.7
365.28613	0.8
368.95087	0.7
391.30316	2.5
393.31921	1.0
409.26947	0.8
409.31686	0.8
411.14734	1.2
411.32739	29.3
412.33151	3.9
455.31760	100.0
456.32089	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	455.3173
Annotation	Ilekudinol B
Peak:m/z	Relative Intensity
57.70159	0.7
65.32447	0.6
66.40514	0.6
70.97076	1.5
158.02054	0.7
171.41629	0.6
343.81567	0.7
361.25589	4.2
377.28552	20.8
378.28589	2.2
393.31656	29.5
394.31995	3.4
411.32724	10.5
412.32742	1.9
437.30453	5.5
455.31299	100.0
456.31610	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3174
Annotation	Ilekudinol B
Peak:m/z	Relative Intensity
53.17897	0.7
68.96745	6.3
78.84065	0.6
83.96698	0.6
99.00900	0.8
104.48526	0.6
304.14047	0.8
331.17871	0.6
355.32339	1.5
361.25400	2.8
377.28494	20.1
378.28806	2.0
393.31638	39.1
394.31976	5.2
405.60245	0.8
411.32721	13.7
412.32843	1.2
437.30563	6.9
438.30927	0.8
455.31186	100.0
456.31546	13.0
460.49985	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08332	2.6
58.38541	2.9
60.68882	2.8
66.50895	2.3
69.09194	20.1
74.50521	2.4
74.80785	2.8
96.65912	2.6
98.21799	5.4
101.11266	2.7
113.09736	2.7
181.08676	5.5
224.16592	5.4
229.48393	3.3
272.57492	2.8
365.13962	5.9
383.15024	100.0
384.15280	10.2
455.24979	87.7
455.35016	10.4
456.25244	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	455.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
66.98669	1.1
165.90074	1.1
176.49951	1.1
444.07370	1.1
448.92291	1.4
455.35355	100.0
456.35654	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	455.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
70.91752	0.8
70.92068	0.6
81.20741	0.6
85.02981	0.7
89.26201	0.5
222.63591	0.5
305.43085	0.6
337.81055	0.8
369.28302	0.6
455.35339	100.0
456.35712	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	455.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71754	0.3
61.38627	0.3
70.61839	0.6
70.62173	0.5
90.50983	0.3
96.82073	0.3
97.63435	0.3
101.88805	0.3
245.43156	0.3
455.35352	100.0
456.35687	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	455.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42171	0.4
51.09420	0.4
53.37406	0.5
67.10344	0.4
71.18103	0.8
86.81618	0.5
119.97942	0.5
175.77637	0.5
197.45230	0.6
407.33142	0.7
437.63104	0.5
455.35333	100.0
456.35660	15.0
483.05450	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3529
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
62.31393	0.3
63.96264	0.6
65.03957	0.3
68.99841	0.6
69.27041	2.2
81.03471	1.0
91.05569	0.5
95.01418	1.3
95.05034	0.8
107.05051	1.5
109.02996	0.6
111.04576	0.3
119.05034	1.8
120.95490	0.3
121.02950	0.6
121.06606	1.1
122.03745	0.5
123.04587	0.4
125.06197	0.3
133.06627	0.5
135.04541	9.5
135.05518	0.5
137.06094	2.6
147.04539	1.7
149.02463	0.3
157.31078	0.4
163.04080	0.8
175.78630	0.4
177.05794	0.3
177.13008	0.3
179.01869	0.6
179.07091	0.4
180.02545	0.5
181.08777	0.5
182.05884	0.5
195.06706	1.4
208.93733	0.4
212.01506	1.8
219.06662	1.8
221.11826	5.7
235.13362	1.9
293.16095	0.5
294.16550	2.1
326.15576	6.7
326.19153	0.4
327.15860	0.5
339.27078	0.7
411.32898	0.5
437.33661	0.3
455.21231	6.2
455.35516	100.0
456.14880	0.3
456.21204	0.8
456.35886	13.4
482.93369	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43678	1.0
59.50655	0.9
71.28715	1.9
72.70284	1.0
76.81178	1.1
84.70350	0.9
88.49310	1.0
111.04524	1.5
122.25387	1.0
195.04521	0.9
211.29713	1.0
225.88464	0.8
332.91858	1.0
337.36722	1.0
379.83359	1.0
383.15393	1.4
455.17545	4.5
455.35394	100.0
456.35788	14.3
480.02832	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.6
57.08692	0.3
57.65046	0.4
66.33383	0.3
67.01888	0.4
69.03465	1.7
69.60224	1.5
70.29388	0.4
79.01897	0.7
81.03455	1.2
83.01405	0.6
93.03534	0.5
95.01392	0.8
95.05035	0.4
96.96033	0.7
97.02976	1.3
98.22404	0.8
105.03461	0.8
107.01429	0.5
109.02949	1.0
123.00858	1.1
124.01695	0.9
125.02458	71.5
126.02747	0.9
137.02460	2.9
139.04013	1.4
149.02417	1.0
159.10037	0.4
161.02467	5.3
164.01169	0.6
165.01936	1.6
167.03506	1.8
169.01436	100.0
170.01756	3.1
179.03517	1.5
184.81360	0.4
185.02324	0.4
193.01425	3.5
197.86201	0.4
201.05554	0.6
204.50719	0.4
205.01450	0.5
219.06599	1.2
269.04553	1.1
287.05649	1.1
305.06668	6.6
306.06735	0.5
331.04581	1.7
387.32623	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.0779
Annotation	Epigallocatechin Gallate
Peak:m/z	Relative Intensity
54.21171	0.4
57.03452	3.0
69.03461	1.7
69.19358	1.7
69.19765	0.8
72.30835	0.4
81.03471	0.6
83.01382	0.6
97.02963	1.3
105.03477	0.9
107.01369	0.9
109.02963	0.9
111.04472	0.5
123.00900	0.9
124.01682	0.7
125.02457	73.8
126.02785	1.8
137.02443	2.6
137.47961	0.4
139.00351	0.4
139.04045	1.0
149.02399	0.4
161.02449	4.9
164.01138	0.5
165.01936	1.5
167.03514	1.4
168.34062	0.4
169.01437	100.0
170.01779	3.4
177.05598	0.9
179.03479	1.2
193.01445	2.9
201.05557	0.6
219.06596	1.1
221.04601	0.5
234.27237	0.4
269.04565	0.9
275.61389	0.4
287.05728	0.9
305.06683	6.6
306.07043	0.4
331.04523	1.9
457.07877	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.078
Annotation	(-)-Gallocatechin gallate
Peak:m/z	Relative Intensity
50.93409	0.6
52.75041	0.6
56.15605	0.6
57.03453	4.2
63.02401	0.8
65.00312	0.9
67.01870	1.4
68.99791	1.2
69.03461	1.3
79.01891	0.6
81.03452	1.8
83.01391	5.6
93.03490	0.7
95.01404	1.7
95.05038	0.9
96.96021	1.4
97.02969	2.7
105.03461	1.6
107.01385	3.0
109.02961	3.3
111.00861	0.7
111.29716	0.7
119.05000	0.9
121.02983	1.6
122.03741	1.4
123.00899	9.7
123.04543	20.6
124.01690	1.2
125.02460	87.7
126.02786	1.9
127.32099	0.7
133.02985	1.1
137.02429	4.9
139.00414	1.9
139.04039	2.1
141.01961	1.0
149.02425	2.5
150.03253	3.1
151.00400	14.8
151.04022	52.0
153.01956	48.4
154.02306	1.5
156.43994	0.7
159.04517	1.0
161.02478	7.9
163.04051	1.3
164.01102	1.4
165.01878	3.4
166.99890	1.1
167.03511	2.7
169.01440	100.0
170.01816	2.9
175.04024	1.6
177.01956	2.3
177.05618	0.8
179.03535	2.4
185.02448	0.9
193.01419	2.8
204.04266	0.9
207.72713	0.7
219.06645	1.0
221.04460	0.8
229.01620	1.3
230.02014	0.8
231.03020	1.6
249.04117	4.0
257.04544	1.4
269.04636	1.2
275.01987	4.2
275.05292	1.4
287.05661	4.6
299.01767	0.8
299.99222	1.2
300.99893	2.7
303.05127	47.2
304.05450	3.6
305.06686	12.1
306.07083	1.2
314.00482	0.9
315.01550	2.6
331.04736	1.8
343.01031	2.6
349.03439	0.9
350.04147	0.7
384.53604	0.8
457.07175	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84445	1.0
69.37942	4.7
72.99635	0.8
79.95737	33.6
80.96519	1.5
93.03451	2.1
96.96024	9.7
98.21834	1.1
108.02216	0.8
110.44577	0.7
110.48320	0.7
119.73426	0.7
121.02969	4.0
122.03753	5.4
123.04536	1.8
125.02409	1.3
133.02896	1.2
136.01682	1.6
149.02449	55.4
150.03238	47.6
151.03603	1.4
151.06682	1.1
164.04800	11.5
165.05571	51.8
166.06294	4.6
167.07141	2.5
180.04277	4.3
181.08679	1.3
195.06624	11.1
196.07036	1.0
203.00250	4.6
245.01155	5.1
249.03265	0.7
259.02817	2.1
267.06570	0.8
275.02505	1.2
283.10031	0.9
314.11615	19.4
315.11871	1.4
329.13959	31.4
330.14301	2.4
457.11777	100.0
458.12012	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	457.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	1.8
59.01375	2.8
59.53881	0.6
67.96170	0.8
68.99725	6.6
71.01390	1.4
73.02947	0.8
79.95744	31.0
80.96509	1.7
81.03492	1.0
83.01431	1.0
85.02956	1.1
89.02446	1.5
93.03468	7.0
95.01392	1.1
95.95230	0.7
96.96020	9.6
97.02934	0.8
98.21650	0.8
98.95626	0.9
107.05026	0.7
109.02968	3.0
113.02546	0.8
115.00368	0.8
121.02956	4.2
122.03745	2.9
123.00917	2.5
123.04539	2.6
124.01696	0.9
125.02460	26.1
133.02975	1.1
135.04562	1.4
137.02452	20.1
137.06094	0.9
139.04039	3.1
140.10394	0.8
147.04553	1.0
149.02448	50.5
150.03241	30.7
151.00377	1.2
151.03944	2.3
161.02470	1.5
164.01155	1.1
164.04820	13.7
165.01981	4.5
165.05580	39.4
166.06316	3.0
167.03500	4.1
167.07155	3.1
168.00682	1.7
169.01450	14.2
170.01648	0.8
174.01755	1.3
175.04024	1.0
177.05577	2.7
179.03500	3.2
179.07117	0.9
180.04292	2.4
181.08740	1.1
193.01254	0.8
195.06607	8.8
203.00227	4.6
203.03488	1.7
203.10841	0.9
219.06592	3.4
221.04462	0.7
233.08160	1.7
245.01300	3.3
247.02483	0.8
259.02896	2.1
261.07626	1.1
267.06522	1.2
271.04767	1.0
275.02374	1.4
282.09052	1.0
283.09912	2.3
285.11227	0.7
297.11349	1.5
305.06680	20.3
305.10046	1.5
306.07141	1.1
314.07990	1.2
314.11606	22.9
314.15091	1.4
315.12073	1.1
329.13968	37.5
330.14197	3.5
337.07867	1.3
413.14813	1.4
439.13037	1.1
457.11826	100.0
458.12167	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	457.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90561	1.2
56.21671	1.1
59.01382	19.5
61.98821	2.3
71.01385	17.9
71.27429	1.5
72.99323	1.9
73.02969	1.8
74.99390	5.0
78.95917	3.4
80.91698	1.5
83.01419	1.9
85.02979	3.1
86.99391	3.3
87.00903	2.1
88.04043	2.1
89.00944	1.3
89.02452	4.9
93.03474	1.4
96.96033	1.7
96.96996	2.5
101.00956	20.0
101.02470	3.7
102.98885	12.4
103.75310	1.2
108.02223	6.8
109.02959	4.1
113.00955	10.5
113.02450	3.5
115.99685	2.6
117.00477	6.0
117.97618	2.2
118.00471	1.3
123.00922	3.0
123.04556	4.8
125.00975	3.3
125.02461	7.2
126.98875	2.8
129.00423	2.3
130.05058	1.4
130.98367	3.0
131.08348	1.2
133.05070	2.7
134.03760	1.4
136.01697	1.8
137.02458	2.6
139.02585	1.3
141.00453	4.6
143.99156	5.0
144.99956	2.2
145.03011	3.4
146.03818	6.0
147.03004	3.5
147.04532	2.7
149.00993	2.5
151.04016	2.6
152.01161	5.6
153.00488	4.3
153.01955	3.6
155.01991	3.2
157.00009	1.4
157.03569	1.6
159.01509	1.6
161.02475	3.0
162.03253	4.6
163.04037	5.2
165.00456	13.1
167.02025	2.5
167.99252	1.8
168.99937	5.3
169.01460	4.9
175.02516	2.0
177.00415	3.3
177.04092	1.6
177.05576	4.0
178.06380	4.1
179.07132	2.1
183.01471	2.2
190.01230	8.9
191.01999	5.1
191.99138	2.4
193.03564	2.0
193.05145	1.6
194.00708	3.4
195.01465	1.7
196.05823	1.7
201.02562	14.0
203.01927	2.1
204.02673	2.8
206.00688	3.6
207.01469	5.4
218.00685	14.8
218.51744	1.3
219.01437	5.4
220.02193	3.5
221.03119	2.8
222.00250	2.6
223.04579	2.7
229.01469	2.6
231.01361	2.2
232.02271	13.0
233.02831	2.0
234.00166	4.5
235.04654	5.3
238.06876	4.4
239.06877	1.3
243.03578	2.9
244.02240	17.4
245.02847	2.7
246.03841	4.3
248.01666	1.9
249.04408	1.4
250.98949	2.1
260.01770	1.6
262.03354	7.7
273.04684	12.0
274.01245	1.4
275.01892	6.5
276.01288	1.8
277.05643	3.9
287.07596	1.2
289.06021	2.2
290.02744	3.0
291.03644	2.1
293.05139	3.0
300.99841	4.9
309.04630	10.6
311.01215	1.4
315.01309	1.5
315.07233	2.0
319.06860	1.8
353.07294	6.4
375.03290	1.7
379.08847	53.2
380.09140	6.6
383.04572	1.5
397.09915	100.0
398.10187	15.5
427.03970	1.5
428.12164	2.0
439.10559	2.1
446.59427	1.4
457.11758	4.2
458.06674	1.6
458.13101	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	457.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20629	2.4
55.01880	3.8
57.03434	3.6
57.51543	2.7
59.01379	27.6
61.98823	7.4
65.33170	3.0
69.03436	3.9
69.49812	2.8
69.52083	14.4
71.01388	65.5
73.02951	24.1
75.44837	2.6
78.95912	10.6
81.03431	7.0
83.01396	26.3
83.05033	29.5
85.02962	25.6
88.04039	8.5
89.02440	9.8
93.03464	52.0
95.01402	8.1
96.96959	11.1
97.02948	3.8
99.00890	10.3
99.04590	3.0
101.02460	32.4
105.67626	2.7
108.02205	22.0
109.02950	31.3
111.00889	24.6
111.04534	100.0
111.91353	2.6
112.04076	4.8
112.04847	3.5
113.02453	22.6
119.03445	4.1
119.05030	5.0
121.02966	3.4
123.00904	60.9
124.01692	50.2
125.02480	13.7
130.05099	8.0
137.02451	40.7
138.03236	37.4
139.04037	43.6
143.03572	3.6
149.02399	2.9
150.03157	3.3
151.03999	3.7
152.01176	32.7
153.01944	11.8
153.05556	3.2
155.03513	57.6
159.03012	6.5
161.04601	39.3
161.05901	5.8
161.07224	3.8
163.04054	4.1
164.04790	3.6
169.01456	6.1
173.04567	37.6
177.01921	4.5
179.03368	3.4
179.07135	4.4
181.05066	6.1
205.05063	9.6
254.93367	3.0
292.13727	2.6
299.07620	2.9
301.09244	28.5
309.08713	2.8
315.07193	10.0
315.10510	3.2
345.30176	2.6
397.17047	18.1
398.17773	3.5
411.66318	3.1
413.53467	2.9
428.12012	13.2
457.17746	4.2
457.33353	5.5
458.13074	36.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20629	2.4
55.01880	3.8
57.03434	3.6
57.51543	2.7
59.01379	27.6
61.98823	7.4
65.33170	3.0
69.03436	3.9
69.49812	2.8
69.52083	14.4
71.01388	65.5
73.02951	24.1
75.44837	2.6
78.95912	10.6
81.03431	7.0
83.01396	26.3
83.05033	29.5
85.02962	25.6
88.04039	8.5
89.02440	9.8
93.03464	52.0
95.01402	8.1
96.96959	11.1
97.02948	3.8
99.00890	10.3
99.04590	3.0
101.02460	32.4
105.67626	2.7
108.02205	22.0
109.02950	31.3
111.00889	24.6
111.04534	100.0
111.91353	2.6
112.04076	4.8
112.04847	3.5
113.02453	22.6
119.03445	4.1
119.05030	5.0
121.02966	3.4
123.00904	60.9
124.01692	50.2
125.02480	13.7
130.05099	8.0
137.02451	40.7
138.03236	37.4
139.04037	43.6
143.03572	3.6
149.02399	2.9
150.03157	3.3
151.03999	3.7
152.01176	32.7
153.01944	11.8
153.05556	3.2
155.03513	57.6
159.03012	6.5
161.04601	39.3
161.05901	5.8
161.07224	3.8
163.04054	4.1
164.04790	3.6
169.01456	6.1
173.04567	37.6
177.01921	4.5
179.03368	3.4
179.07135	4.4
181.05066	6.1
205.05063	9.6
254.93367	3.0
292.13727	2.6
299.07620	2.9
301.09244	28.5
309.08713	2.8
315.07193	10.0
315.10510	3.2
345.30176	2.6
397.17047	18.1
398.17773	3.5
411.66318	3.1
413.53467	2.9
428.12012	13.2
457.17746	4.2
457.33353	5.5
458.13074	36.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	2.7
57.03458	1.4
58.00599	2.9
59.01384	66.5
61.98830	3.2
62.32771	1.4
71.01389	38.9
72.99316	3.6
73.02979	1.5
83.01396	4.4
85.02956	7.9
87.00897	3.8
89.02450	43.0
95.01423	4.0
95.72810	1.3
98.22563	5.0
99.00912	1.6
99.04546	2.4
101.02448	30.1
108.02215	3.5
109.02973	2.9
111.00971	1.4
113.02465	16.5
119.03516	22.0
119.05000	3.3
120.16468	1.4
120.99677	4.5
121.06626	3.0
123.00911	2.5
123.04537	1.8
123.08202	6.3
125.02441	10.2
133.03015	1.8
137.02470	4.3
139.42769	1.4
143.03523	3.0
147.04568	2.4
149.04565	1.4
151.00439	1.7
151.04079	2.6
152.01176	2.4
153.01978	2.5
153.05717	1.5
161.02507	1.7
161.04605	4.1
161.06107	3.6
165.01917	1.5
167.03525	2.1
169.01468	11.9
171.11804	4.8
175.04034	2.3
179.03496	2.4
179.05659	4.1
189.12885	11.1
190.45027	1.4
202.40732	1.6
205.05154	3.0
215.10767	2.0
229.20078	1.4
231.03017	1.6
233.08182	2.8
233.11852	2.5
247.06094	2.0
277.07449	3.9
277.10941	10.2
293.80566	1.4
335.12802	2.4
411.12463	1.5
457.17380	100.0
458.17673	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	457.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.3
59.01380	35.6
69.23878	12.9
71.01384	30.5
72.99301	1.9
73.02937	3.2
75.00889	9.1
79.95748	21.9
80.96534	3.0
81.95348	9.9
85.02955	22.0
87.00877	10.3
89.02444	15.1
93.03448	2.5
95.01399	3.4
96.96040	4.1
98.27708	2.0
99.00876	5.6
99.83390	2.2
101.02458	6.7
103.00430	2.6
108.02190	19.0
109.03027	9.0
110.44814	1.8
113.02458	31.9
117.01900	2.9
119.03500	5.6
121.02968	3.6
123.04498	4.5
125.02444	12.8
126.02838	1.9
135.04503	4.6
136.05319	3.3
137.02475	4.7
148.05296	4.3
149.06076	13.4
151.03928	2.9
151.07649	2.4
152.01128	11.0
153.01950	3.8
161.13417	4.7
163.11275	6.8
165.05560	6.7
166.06352	19.3
169.01445	8.7
179.05725	2.0
179.07292	2.1
181.08723	20.1
182.05853	9.5
185.93816	1.8
194.05830	2.1
195.06659	24.4
196.06940	5.5
197.08336	5.0
201.71562	1.8
205.12346	8.8
209.08214	8.0
210.08592	2.7
216.00558	2.1
228.00815	2.6
229.01372	2.6
243.03351	7.8
249.06111	5.3
249.11348	6.8
267.07224	100.0
268.07608	4.0
270.98874	3.6
276.45178	2.0
283.99808	3.4
298.98413	5.0
299.99075	32.2
300.99911	30.1
336.99796	2.5
337.07388	1.9
339.01154	2.4
375.14371	4.3
377.15640	5.5
438.99680	3.1
457.00845	23.9
457.10934	58.5
458.00909	3.4
458.11572	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	457.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.1
58.00591	3.7
59.01382	63.3
68.06977	1.6
69.01891	10.7
69.03470	8.0
71.01387	81.3
72.99297	5.4
73.02940	8.1
75.00883	4.0
79.95739	3.5
81.03459	6.1
83.01379	5.4
85.02946	11.9
87.00868	3.5
89.02450	100.0
95.01391	4.3
96.96017	5.0
97.02965	10.4
98.95609	3.1
99.00888	14.9
99.04546	1.6
101.02441	17.2
107.01411	1.9
109.02949	3.1
111.00893	3.3
113.02435	8.7
115.04005	7.0
115.10120	1.5
119.03545	2.0
123.00904	3.9
125.02460	60.2
126.02728	2.3
127.04002	2.4
131.03545	11.3
137.02458	2.5
143.03484	3.6
148.05316	66.3
149.02525	1.8
149.04587	12.5
149.05626	2.4
151.00385	2.7
153.01898	2.1
161.02470	1.7
163.07655	18.7
164.04817	4.3
165.17569	1.5
169.01427	13.8
179.07141	4.2
187.30968	1.7
191.05612	6.0
211.09760	2.1
211.16612	1.5
229.01381	2.1
233.06685	35.5
239.09802	1.6
242.99316	2.0
243.45490	1.6
269.04626	2.2
270.98715	2.8
293.08807	26.8
298.98315	3.8
299.99121	30.1
300.99887	23.5
302.00363	2.1
376.99591	2.6
395.00458	2.4
415.62396	1.7
438.99210	4.0
457.00665	25.9
457.07047	3.1
457.11945	3.0
457.17044	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	457.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.3
59.01380	35.6
69.23878	12.9
71.01384	30.5
72.99301	1.9
73.02937	3.2
75.00889	9.1
79.95748	21.9
80.96534	3.0
81.95348	9.9
85.02955	22.0
87.00877	10.3
89.02444	15.1
93.03448	2.5
95.01399	3.4
96.96040	4.1
98.27708	2.0
99.00876	5.6
99.83390	2.2
101.02458	6.7
103.00430	2.6
108.02190	19.0
109.03027	9.0
110.44814	1.8
113.02458	31.9
117.01900	2.9
119.03500	5.6
121.02968	3.6
123.04498	4.5
125.02444	12.8
126.02838	1.9
135.04503	4.6
136.05319	3.3
137.02475	4.7
148.05296	4.3
149.06076	13.4
151.03928	2.9
151.07649	2.4
152.01128	11.0
153.01950	3.8
161.13417	4.7
163.11275	6.8
165.05560	6.7
166.06352	19.3
169.01445	8.7
179.05725	2.0
179.07292	2.1
181.08723	20.1
182.05853	9.5
185.93816	1.8
194.05830	2.1
195.06659	24.4
196.06940	5.5
197.08336	5.0
201.71562	1.8
205.12346	8.8
209.08214	8.0
210.08592	2.7
216.00558	2.1
228.00815	2.6
229.01372	2.6
243.03351	7.8
249.06111	5.3
249.11348	6.8
267.07224	100.0
268.07608	4.0
270.98874	3.6
276.45178	2.0
283.99808	3.4
298.98413	5.0
299.99075	32.2
300.99911	30.1
336.99796	2.5
337.07388	1.9
339.01154	2.4
375.14371	4.3
377.15640	5.5
438.99680	3.1
457.00845	23.9
457.10934	58.5
458.00909	3.4
458.11572	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	457.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	4.3
57.03444	5.3
59.01376	35.7
59.21862	2.9
61.82160	2.7
61.98834	7.8
70.80627	6.8
71.01392	49.0
72.99306	5.3
73.02941	11.4
78.95911	17.9
83.01384	7.4
85.02960	26.9
87.00869	4.6
88.04053	23.0
89.02438	18.1
93.03441	3.7
95.01414	6.5
96.95991	4.6
96.96980	28.5
99.00875	7.2
101.02451	35.7
108.01481	5.8
108.02177	67.9
109.02955	60.3
112.04023	4.6
113.02452	21.0
118.96709	3.3
119.03511	7.6
119.05035	9.5
120.99681	4.1
121.02959	4.0
123.00909	9.6
123.04552	10.9
125.02442	26.0
130.05092	13.9
133.02933	4.4
133.06532	3.0
137.02390	5.4
145.02939	5.1
151.04021	7.3
152.01169	82.7
153.01950	52.8
159.03014	5.6
160.06175	5.1
161.04654	14.6
161.05806	3.9
163.04001	10.0
169.01471	13.9
175.03972	5.1
179.07042	3.2
193.05023	3.6
203.03548	4.9
205.05045	10.7
216.19499	2.9
217.05099	3.3
221.04492	6.3
221.08154	4.3
233.08167	6.1
235.11824	17.7
251.09229	7.3
259.01355	4.8
277.07135	5.6
297.06226	7.7
300.99872	5.7
315.01413	4.7
315.07193	21.9
343.00446	3.9
391.29114	3.4
397.08188	6.5
397.17148	46.2
428.12061	24.8
457.10175	15.6
457.33301	7.3
458.13074	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	457.1986
Annotation	Kopsilongine-N-oxide
Peak:m/z	Relative Intensity
56.79604	1.3
57.13601	1.3
59.01387	12.3
69.05678	11.8
71.01385	3.4
81.03419	1.2
81.52635	1.4
85.02950	2.8
89.02455	2.9
91.66283	1.3
95.05048	2.1
95.76456	1.4
97.46564	1.7
101.02471	2.5
110.06113	2.6
111.04542	3.4
113.02464	2.5
116.05048	2.2
116.92858	1.7
122.06135	14.8
125.02447	1.6
135.31650	1.7
158.02544	2.6
160.04094	3.6
161.04526	1.8
170.09721	2.3
175.02678	1.2
181.08809	1.6
186.01962	62.5
186.05629	2.9
186.12845	2.0
187.02588	6.2
188.03543	4.0
190.02637	1.3
214.08752	4.5
215.09537	4.4
218.04587	100.0
219.01738	3.8
219.05070	7.7
230.11853	6.8
244.09758	3.3
251.04320	1.6
258.11368	8.1
261.10092	2.6
273.10062	5.7
273.13635	1.8
274.10861	8.3
274.13651	1.3
299.99124	1.5
305.12775	16.6
309.08871	3.1
311.14063	2.0
317.12793	4.7
327.09937	1.6
349.11569	9.0
383.19748	9.1
395.19800	19.2
427.18869	10.2
439.18771	62.0
440.18839	6.5
457.19785	98.8
458.20032	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	457.2236
Annotation	Ardisinone B
Peak:m/z	Relative Intensity
51.28065	0.6
57.03442	0.9
57.95983	0.6
59.01362	1.7
67.01900	1.1
68.99832	0.7
70.40535	1.9
77.55018	0.7
95.01415	1.1
111.04533	0.9
113.09725	1.7
115.92155	0.7
116.92850	2.0
120.02056	1.0
123.08158	0.7
125.06102	12.9
125.07017	0.8
125.09711	1.6
127.07655	1.7
128.09480	0.7
135.42967	0.8
137.02469	10.5
139.04013	1.4
149.09785	1.1
164.01155	5.7
165.01953	0.8
173.11824	1.2
179.07176	2.9
181.08740	5.4
193.08643	2.4
203.07127	0.9
206.05768	1.5
207.06696	4.0
215.10963	0.8
221.08208	81.5
222.08571	4.8
223.09769	3.7
229.12361	1.1
235.13446	2.7
257.11813	1.2
261.14984	2.6
271.13284	1.7
272.14197	3.9
273.11356	1.2
287.16565	3.4
288.13733	1.3
303.16089	1.8
313.14523	1.1
331.15546	1.7
357.13638	1.0
359.05002	0.7
371.15131	0.9
413.30542	8.9
414.30801	1.4
415.21417	2.6
439.27823	1.0
457.22391	100.0
457.29025	10.6
457.33749	4.0
458.22763	11.5
458.29309	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31780	0.1
56.49687	0.1
61.00969	0.1
88.15984	0.1
98.21818	0.3
99.92587	4.4
100.92712	0.1
100.93369	1.9
113.92639	0.2
115.92086	100.0
116.92098	3.7
116.92879	5.4
117.92873	0.2
130.94426	0.2
132.92355	1.3
142.94415	0.3
155.95206	0.1
172.95477	8.2
173.95567	0.3
204.94441	0.2
208.35417	0.1
266.99496	0.1
271.72031	0.1
283.26459	0.4
310.58011	0.1
311.78934	0.1
363.27100	0.2
379.30008	0.8
383.19064	1.0
384.19724	0.4
395.33344	1.5
399.18567	0.4
409.20432	1.5
410.20554	0.2
413.34512	0.6
413.38885	0.1
439.21689	0.3
439.32278	0.2
457.22830	6.0
457.33157	8.9
458.22903	0.9
458.33630	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06541	1.1
52.47976	1.0
57.03453	9.9
59.01376	2.9
60.58708	1.2
69.03433	2.3
69.33434	6.8
73.02949	2.2
81.03457	1.6
83.05026	16.4
85.02966	4.4
85.06609	1.3
91.95182	1.2
95.05038	1.6
97.06590	5.8
109.06564	1.9
111.04552	4.7
111.08169	60.6
113.09724	2.3
114.75634	1.1
123.08170	4.0
125.06117	11.5
125.09732	39.8
126.10075	1.6
129.09225	3.1
143.07159	6.4
147.08200	1.3
157.08682	2.3
159.10262	1.3
164.80069	1.2
169.08755	1.9
173.06772	2.4
173.08202	31.1
173.11859	2.0
181.08763	8.5
187.09775	28.7
193.08675	1.9
201.11353	1.7
207.06638	2.0
207.17606	8.7
209.08194	2.7
211.09811	1.3
217.08646	1.5
219.06662	4.2
221.19133	17.2
223.09767	4.5
233.19266	1.3
237.11366	2.0
251.16537	8.4
265.18149	10.4
269.17606	11.9
269.49561	1.3
272.14096	1.8
283.19208	12.4
284.19421	2.0
287.16434	2.7
287.22238	1.6
301.20612	2.3
315.21399	1.4
329.23257	1.5
331.15530	3.5
331.24921	2.4
332.56586	1.1
413.30499	4.7
439.27341	3.7
457.22217	21.1
457.28287	100.0
457.33231	49.6
458.22461	2.6
458.27762	11.7
458.33539	6.3
478.55136	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2965
Annotation	CHEBI:69585
Peak:m/z	Relative Intensity
54.87387	0.4
57.03435	1.2
59.01364	2.2
69.03448	1.1
71.01376	1.3
71.05001	0.7
72.99296	0.7
73.02931	0.5
76.14458	0.5
81.03466	0.9
83.05041	1.3
85.02933	0.6
87.04487	0.8
97.06606	1.0
99.00901	7.2
111.00919	2.6
111.04530	8.5
113.02483	0.5
123.04539	0.5
125.06075	1.3
125.09698	2.2
131.03467	0.7
141.72739	0.6
147.10309	0.5
148.33321	0.5
160.84219	5.7
169.01373	0.8
179.06995	0.6
187.09622	0.6
195.06635	1.0
205.39220	0.5
221.08200	0.9
247.02448	2.2
301.14279	0.6
325.20416	0.7
331.24957	0.8
353.24857	0.6
355.26437	1.5
383.29501	1.2
395.25134	0.6
395.29764	0.9
397.27017	0.7
400.15167	0.5
411.29086	6.8
412.29260	0.8
413.30920	2.5
439.10538	1.1
439.22864	0.7
457.29495	100.0
458.29886	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	457.2965
Annotation	CHEBI:69585
Peak:m/z	Relative Intensity
53.23036	0.5
57.03413	0.9
59.78533	0.7
69.71667	2.2
71.01393	3.6
71.84475	0.5
73.02917	0.7
74.27756	0.6
80.50083	0.6
124.34054	0.6
125.06057	0.9
181.08655	1.1
209.08168	0.9
214.42731	0.7
224.06790	1.5
225.07529	0.7
287.16370	0.7
342.75531	0.6
395.29105	1.0
411.28726	1.4
413.30579	31.8
414.31143	4.6
415.21371	0.7
457.22296	5.5
457.29376	100.0
458.23392	0.8
458.29892	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	457.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	0.8
59.01387	1.5
69.19254	2.7
74.11649	0.4
75.84488	0.4
109.06623	0.4
155.26018	0.4
209.77940	0.4
275.20401	0.7
276.47992	0.4
277.21808	2.2
293.74884	0.4
297.20880	0.5
353.43082	0.4
391.30325	0.5
393.31564	6.3
394.32062	0.7
397.27435	3.6
411.33188	1.1
413.30490	1.2
413.34860	5.7
414.35260	0.7
426.87958	0.4
439.32947	3.0
457.33612	100.0
458.33905	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	457.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.9
71.05030	0.6
74.14256	0.5
77.28667	0.5
83.05022	0.6
84.97274	0.4
86.14256	0.5
95.05029	0.6
97.06587	7.3
98.22549	1.2
123.08173	3.4
125.09729	38.0
126.10071	1.4
141.12851	0.8
143.10834	1.1
169.08766	1.1
170.51790	0.6
175.54837	0.5
187.09755	13.6
239.56216	0.5
269.21283	1.7
285.20889	0.6
287.22293	12.1
288.22696	1.3
397.31281	2.2
411.32697	1.5
439.31210	1.9
457.32700	100.0
458.33212	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	457.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.8
57.05009	0.5
59.01389	0.7
69.03431	0.8
69.08651	1.4
69.09067	2.7
79.71283	0.6
83.05058	0.9
86.04720	0.5
95.05046	0.9
97.06600	6.3
106.82983	0.6
113.46709	0.5
123.08183	3.7
125.09741	39.7
126.10020	1.0
143.10872	0.9
169.08694	1.2
173.11879	1.0
187.09767	14.8
187.11380	0.9
193.16043	0.6
221.19070	0.8
222.82150	0.6
269.21292	1.8
285.21011	0.9
287.22308	13.8
296.09390	0.6
329.75537	0.5
373.27725	0.6
393.31680	0.8
397.31281	2.1
411.33188	1.5
413.30817	2.1
439.31070	2.4
457.32721	100.0
458.33362	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	457.3324
Annotation	Topsentisterol C1
Peak:m/z	Relative Intensity
57.03450	2.3
59.01371	0.4
64.08507	0.1
68.59666	0.1
69.03458	1.2
71.01372	0.2
71.27637	0.2
72.38091	0.1
73.02974	0.1
99.92612	0.2
106.13412	0.1
109.06584	0.1
111.04517	0.3
115.92097	0.3
116.92886	1.2
120.23766	0.1
123.04515	0.2
125.02428	0.2
134.64934	0.1
181.08716	0.2
194.63446	0.1
194.93372	0.1
199.42036	0.1
205.56310	0.1
207.10251	0.2
222.85370	0.1
249.11263	0.3
335.48282	0.1
367.30002	0.9
385.31744	0.1
395.29715	0.4
397.31030	0.1
413.34338	3.1
414.34668	0.4
439.10788	0.3
439.28696	0.3
446.12140	0.2
457.33295	100.0
458.33664	12.3
469.10782	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3325
Annotation	Homaxisterol B2
Peak:m/z	Relative Intensity
52.46127	0.3
57.03442	1.5
69.03447	0.9
69.15186	2.3
69.15530	0.3
78.15028	0.3
99.20692	0.3
118.38036	0.3
126.70768	0.3
148.89378	0.3
177.06845	0.3
239.06705	0.3
266.67383	0.3
272.34668	0.3
274.43353	0.3
310.75262	0.3
339.09164	0.3
413.34320	1.7
457.33267	100.0
458.33582	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	457.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
59.85714	0.3
69.10279	2.5
89.70520	0.3
96.63390	0.3
103.75907	0.3
117.03444	0.3
125.09732	0.5
145.03027	1.6
173.11844	0.5
187.09827	0.3
229.49426	0.4
260.86267	0.4
315.25470	0.6
330.01572	0.3
341.60681	0.3
395.29349	0.4
397.31079	3.6
398.31622	0.5
411.32767	1.4
439.32053	1.3
457.33304	100.0
458.33615	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	457.3326
Annotation	Homaxisterol B2
Peak:m/z	Relative Intensity
56.36857	0.3
57.03447	1.5
59.01370	0.9
62.80796	0.3
69.03441	0.9
69.05495	2.4
71.05011	0.3
83.05028	0.4
85.02977	0.3
87.00903	0.4
88.12781	0.3
89.63770	0.3
97.06611	0.3
111.08147	0.3
113.69697	0.2
116.50571	0.3
121.06593	0.2
123.08157	0.2
235.05896	0.3
238.67841	0.3
261.37555	0.3
299.99182	0.4
353.28275	0.3
380.02756	0.3
395.25620	0.5
395.30005	0.3
411.32803	0.6
413.34506	2.7
414.34949	0.5
439.32272	0.6
455.31735	2.6
456.31897	0.5
457.33337	100.0
458.33600	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	457.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43474	1.3
65.99046	1.3
69.03434	6.4
69.15941	10.2
90.01590	1.5
90.54026	1.5
98.21800	3.2
106.82932	1.6
107.05020	1.7
109.06600	31.0
117.03483	9.2
119.05014	5.4
121.02935	4.1
145.02971	15.7
163.04024	1.9
166.56943	1.5
325.28848	2.2
341.28525	4.2
347.63113	1.4
355.30063	12.3
357.31641	18.2
369.31619	4.4
379.30020	5.3
385.31009	5.0
395.29382	2.0
397.31110	42.2
398.31259	6.4
411.32687	4.3
413.34274	100.0
414.34641	15.1
428.87711	1.6
457.33167	92.2
458.33389	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	457.369
Annotation	3alpha,20-Dihydroxy-3beta,25-epoxylupane
Peak:m/z	Relative Intensity
52.06906	0.2
63.20012	0.2
69.20660	1.2
165.16766	0.2
246.15221	0.2
271.18198	0.2
398.16718	0.2
457.36926	100.0
458.37268	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	457.3692
Annotation	3alpha,20-Dihydroxy-3beta,25-epoxylupane
Peak:m/z	Relative Intensity
56.37617	0.2
69.37467	0.9
71.03012	0.2
98.22488	0.4
111.04523	0.5
114.89390	0.2
115.09688	0.2
125.06025	0.2
181.08792	0.3
187.80290	0.2
195.06667	0.4
199.26329	0.2
209.08163	0.3
221.08311	0.4
224.83694	0.2
226.75920	0.2
235.09799	0.4
245.79593	0.2
263.16544	0.3
289.69577	0.2
317.03540	0.2
331.11871	0.2
345.13403	0.3
437.56287	0.2
457.36942	100.0
458.37292	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	458.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.2
60.31984	0.9
69.27442	5.2
71.01374	4.5
73.02942	1.8
81.03440	1.1
84.04558	2.0
85.02963	4.1
88.03536	1.7
88.04047	19.6
93.03458	1.1
93.86916	0.7
95.01382	1.8
101.02435	3.0
108.02184	56.7
109.02962	35.3
112.04052	7.9
113.02468	1.6
115.78180	0.9
118.96686	0.9
121.02952	1.5
123.04578	1.1
125.02454	0.8
130.05112	11.8
151.04016	2.5
152.01158	71.8
153.01950	29.5
161.04619	1.3
163.04070	2.0
165.01945	3.1
297.06110	7.2
298.06406	0.9
315.07251	27.7
316.07455	1.4
428.11978	34.8
429.12354	3.0
458.13071	100.0
459.13486	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	458.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.98833	23.1
62.05235	4.3
69.14296	29.2
71.01386	66.6
72.66404	5.5
73.02946	12.1
82.21125	4.1
85.02961	9.2
89.02452	94.0
99.00903	22.8
101.02454	46.1
107.05036	9.9
108.02187	11.8
108.05365	5.1
109.02947	14.8
113.02441	17.5
119.03506	16.3
123.00919	5.3
125.02448	13.8
129.07433	4.4
131.03493	15.1
149.04555	68.5
149.06047	17.7
150.06458	11.7
151.00366	5.2
152.01172	10.7
153.01910	10.8
160.04056	6.4
161.04498	7.0
168.74857	4.4
169.01477	4.7
191.05629	11.8
195.10930	4.6
251.07629	6.4
301.82193	4.1
338.51804	4.5
389.05728	5.9
415.16125	24.5
458.17752	15.5
459.14908	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	458.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43176	3.6
57.03446	6.0
57.41554	3.1
59.01387	37.5
59.30291	3.9
69.03439	3.8
71.01389	48.3
71.28452	4.4
72.99345	4.8
73.02962	15.2
76.37820	3.7
83.01407	7.2
85.02955	32.9
87.00897	14.3
89.02472	10.3
95.01434	4.6
99.00893	6.4
101.02429	43.0
103.03976	3.5
106.91586	3.4
108.02187	100.0
109.02959	65.1
111.00896	15.8
112.93900	3.5
113.02464	17.1
114.11764	3.2
120.99632	4.5
121.02892	3.5
123.00890	6.2
125.02466	13.4
132.15164	3.6
135.00842	4.0
151.04089	4.9
152.01163	89.2
153.01920	31.9
159.03099	4.1
161.04549	23.1
163.06158	5.0
165.02003	4.9
167.03513	15.3
169.01361	6.1
200.94861	3.3
227.71103	3.4
269.10312	62.6
282.71097	4.3
287.93130	3.3
296.91068	4.1
306.06790	4.0
315.07202	13.0
329.08963	5.7
357.08240	43.2
367.07272	3.3
415.16089	60.9
416.16525	6.8
441.10031	7.1
458.13663	4.8
459.11212	72.5
459.86612	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	458.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92361	10.3
55.15178	9.4
56.04842	10.9
57.40152	9.7
59.01389	96.9
71.01400	77.1
71.29368	14.1
72.99311	11.8
73.02939	19.4
83.01370	13.3
85.02938	12.4
87.82030	11.0
89.02473	75.1
90.02700	10.8
101.02467	45.6
109.02969	16.2
113.02432	35.2
113.62694	11.5
119.03533	12.4
125.02454	39.3
139.00252	10.9
139.24380	11.1
140.47792	11.0
145.02936	31.7
149.05602	18.0
161.04561	34.5
164.04825	26.3
165.01723	10.2
165.05202	21.8
169.01324	12.4
180.07460	17.5
233.06593	24.2
294.08835	10.5
458.17627	100.0
459.17398	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	458.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61518	20.9
57.61363	19.0
59.01381	100.0
59.75011	18.0
69.85235	16.8
71.01373	57.2
88.96231	18.2
89.02453	41.5
101.02449	25.9
113.02509	23.4
119.03514	19.3
122.15327	21.0
132.88245	20.7
133.85632	21.4
176.36949	20.6
191.03505	48.3
250.21518	18.3
297.07788	24.0
311.52356	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.24
Annotation	Unknow
Peak:m/z	Relative Intensity
60.27112	9.2
62.90174	9.3
68.98453	100.0
70.70870	8.7
98.22516	24.3
121.19491	9.2
148.80177	10.4
151.36076	10.4
296.06879	15.5
319.26599	11.0
374.98599	10.3
416.49750	10.8
446.61200	11.6
466.44223	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	459.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	3.3
59.01113	0.9
59.01377	8.3
59.64184	0.8
62.05960	0.8
69.03437	1.5
71.01379	6.3
72.99297	3.0
73.02932	2.7
81.03436	2.4
83.01369	1.3
85.02476	1.4
85.02953	14.7
87.00877	15.6
89.02425	2.0
93.03450	2.0
95.01380	3.2
101.02446	5.1
107.01363	1.1
108.02176	100.0
109.02967	63.4
109.04054	1.2
109.43668	0.9
110.03257	2.1
111.00892	10.6
113.02417	2.9
115.92065	2.1
116.92795	1.0
121.02971	1.8
123.00862	2.7
123.04504	1.5
125.02467	1.8
129.01923	1.7
133.02974	1.2
135.00920	4.0
135.04498	1.5
149.02478	0.9
151.03979	2.5
152.01157	92.8
153.01956	31.2
154.02261	1.1
161.04530	3.8
163.03902	2.1
165.01944	1.4
167.03497	13.9
213.71497	0.7
270.10574	1.7
297.06244	1.3
315.07248	11.8
318.06363	0.8
329.08832	4.3
357.08270	34.7
358.08893	1.8
416.16354	3.5
441.04364	1.7
441.10028	8.5
459.11365	70.1
460.11737	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	459.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	3.3
59.01113	0.9
59.01377	8.3
59.64184	0.8
62.05960	0.8
69.03437	1.5
71.01379	6.3
72.99297	3.0
73.02932	2.7
81.03436	2.4
83.01369	1.3
85.02476	1.4
85.02953	14.7
87.00877	15.6
89.02425	2.0
93.03450	2.0
95.01380	3.2
101.02446	5.1
107.01363	1.1
108.02176	100.0
109.02967	63.4
109.04054	1.2
109.43668	0.9
110.03257	2.1
111.00892	10.6
113.02417	2.9
115.92065	2.1
116.92795	1.0
121.02971	1.8
123.00862	2.7
123.04504	1.5
125.02467	1.8
129.01923	1.7
133.02974	1.2
135.00920	4.0
135.04498	1.5
149.02478	0.9
151.03979	2.5
152.01157	92.8
153.01956	31.2
154.02261	1.1
161.04530	3.8
163.03902	2.1
165.01944	1.4
167.03497	13.9
213.71497	0.7
270.10574	1.7
297.06244	1.3
315.07248	11.8
318.06363	0.8
329.08832	4.3
357.08270	34.7
358.08893	1.8
416.16354	3.5
441.04364	1.7
441.10028	8.5
459.11365	70.1
460.11737	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	459.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01125	0.5
59.01378	4.6
62.39571	0.4
68.54721	0.4
71.01363	0.7
71.28986	0.8
73.37436	0.5
89.02419	0.5
91.24120	0.4
93.03410	0.6
101.02455	0.5
104.78349	0.5
109.02970	0.5
111.04536	0.6
113.02518	0.6
113.04700	0.5
117.03459	0.6
121.02991	0.7
125.02443	0.8
133.02928	0.8
135.00867	0.8
135.04507	0.6
149.02435	0.4
152.73943	0.4
153.01950	0.6
163.00400	0.8
165.01939	1.8
170.62546	0.4
181.06555	0.6
181.08682	0.5
197.06090	3.5
204.86015	0.4
205.08844	0.5
209.08168	0.5
210.03246	0.6
213.05640	0.5
223.06020	0.7
225.05568	5.6
226.02592	0.6
240.04227	1.5
241.05028	4.7
242.05299	0.5
253.08571	0.7
254.02171	1.9
255.06592	2.2
268.03790	1.3
269.04550	83.3
270.04929	4.5
282.05295	1.6
283.06110	6.0
284.06760	1.1
295.06100	0.6
296.07129	0.8
297.04059	76.4
297.07440	5.0
298.04672	12.5
298.07748	0.4
299.05203	0.7
312.06396	44.6
313.07095	14.0
339.08765	0.7
347.47189	0.4
355.08209	1.1
369.09677	2.3
371.14960	0.8
390.62836	0.5
459.12985	100.0
460.13321	11.7
476.99023	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74859	0.4
55.24116	0.4
57.03465	0.4
59.01380	1.2
61.56930	0.4
71.01387	0.8
71.28785	0.4
74.49090	0.4
75.97804	0.5
77.03969	0.9
79.01910	0.8
81.03463	1.2
83.01393	1.4
93.03481	0.5
95.01394	0.7
95.05032	0.9
99.92576	1.3
105.03477	0.5
107.01401	0.7
115.92090	2.8
116.17672	0.4
116.92866	0.7
117.07097	0.6
119.05022	1.9
119.16402	0.4
121.02959	1.8
123.00894	1.5
123.04538	0.6
125.02478	2.8
133.06599	1.4
135.04514	1.6
137.02400	0.7
137.06096	1.3
146.03737	0.8
147.04562	0.8
149.02428	2.9
151.00371	0.8
153.05658	0.5
159.04536	0.9
161.02475	1.7
161.06075	3.9
162.03291	0.4
163.00337	0.4
163.04036	5.8
165.01891	1.3
167.03537	0.4
168.00623	0.7
169.01392	2.1
177.05647	0.5
179.03587	0.5
189.05486	0.9
190.02708	2.1
191.03529	4.2
193.01309	0.5
193.23340	0.5
203.03516	2.8
204.04292	3.2
205.05072	82.8
206.05444	4.4
215.03513	3.2
231.03053	1.1
233.04564	100.0
234.04889	4.8
236.03320	0.5
245.04593	2.5
250.03018	0.5
263.05630	2.9
300.99777	0.5
301.99789	0.5
313.67328	0.4
339.08737	55.1
340.09067	5.1
353.08743	2.4
353.34933	0.5
369.09851	2.1
455.49719	0.5
459.13004	56.6
459.18765	5.5
460.13339	6.8
460.19641	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	8.8
61.98788	0.9
65.26643	0.5
65.61839	0.7
70.46278	0.7
71.01386	5.6
73.02914	1.1
75.06213	0.6
79.01875	1.0
83.01377	0.8
85.02922	2.0
87.00868	0.8
89.02447	3.7
91.05512	0.9
93.03431	2.3
98.21749	1.7
99.00880	0.9
101.02434	3.9
111.04483	2.5
113.02419	2.6
119.03470	1.0
119.05004	0.8
125.02431	1.1
131.03506	0.6
132.02165	1.3
135.04523	3.5
137.06055	1.9
149.04509	0.7
150.03175	0.7
161.04517	2.0
163.04008	3.2
165.12956	0.7
172.39560	0.7
177.01875	2.5
179.03455	1.9
179.05647	0.8
181.05035	1.0
181.08708	1.1
181.12379	1.6
191.03455	1.5
193.08826	0.7
195.06636	1.8
197.06161	1.0
209.03146	0.7
209.08231	3.4
211.07813	1.2
213.09239	1.0
221.11873	0.7
223.06107	0.8
225.05525	1.7
227.07092	0.6
235.13393	2.0
237.14896	0.9
239.07141	2.8
241.05043	12.7
241.76067	0.7
242.05309	0.7
249.11275	2.9
254.05775	0.8
255.06631	100.0
256.06973	5.8
267.06601	3.4
269.04556	11.2
270.05139	0.8
283.06128	63.5
284.06747	10.2
285.07520	1.2
285.15005	2.6
290.97614	0.7
296.07455	0.7
303.16046	1.8
312.02655	1.5
312.06409	76.1
313.07159	90.9
314.07520	6.2
319.15320	0.7
371.26086	1.3
415.21161	0.7
417.25107	2.7
441.19409	0.9
459.13107	99.2
459.20392	16.9
460.13434	9.5
460.20743	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35897	0.7
56.23036	0.7
57.03448	1.6
59.01379	1.9
68.88562	0.8
70.85057	0.7
71.01383	0.8
74.94629	1.0
81.03467	1.5
83.01369	1.3
85.54309	0.7
89.02434	0.8
93.03474	1.0
95.05041	0.9
98.22523	2.9
99.04548	2.1
101.02451	1.1
107.30164	0.7
109.02977	0.8
119.05024	1.2
121.02943	1.0
123.04453	1.1
125.02509	3.9
133.02966	1.4
137.06096	1.5
147.04536	1.5
149.02486	2.5
149.06078	1.9
151.00426	1.0
153.01979	2.1
153.63197	0.9
159.04472	1.1
161.02486	1.5
161.06068	4.4
163.00404	0.9
163.03995	3.7
165.82179	0.8
169.01489	1.0
175.04100	1.0
177.01941	3.2
179.03687	1.2
190.02745	5.1
191.03516	20.2
191.05136	1.5
192.03862	1.3
203.03505	9.8
204.04137	3.9
205.05072	49.1
206.05431	2.4
215.03549	1.2
217.05103	3.5
217.41217	0.8
222.01868	0.9
231.03148	1.5
233.04561	100.0
234.04916	4.7
236.03305	1.1
245.04549	7.9
263.05618	23.4
263.08325	1.6
264.05945	1.4
280.06186	0.9
315.01575	1.4
339.08752	49.9
340.09067	4.1
353.08978	2.7
369.09811	12.4
370.10165	1.7
381.09921	1.0
436.96130	1.0
459.13077	45.9
460.13223	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	459.136
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17181	2.0
59.01380	8.6
60.99300	4.1
63.33393	1.5
64.78915	1.4
72.99305	1.6
73.02954	41.8
74.99373	1.4
83.06162	5.8
88.98811	29.4
99.00909	3.7
103.92047	3.2
107.55116	1.6
108.02179	5.4
109.03004	2.5
116.92863	9.2
117.01951	92.8
117.37761	1.6
118.02363	2.1
125.02466	7.7
128.31741	1.5
128.96803	5.1
131.08250	9.3
137.02441	2.8
150.05185	7.6
152.01183	4.4
153.01990	1.9
154.01089	3.9
157.99516	2.3
169.01451	2.2
173.10445	7.5
177.01953	2.8
178.04797	1.9
194.22055	1.7
196.05783	89.2
197.06003	6.8
201.02480	4.5
213.08443	32.8
214.08629	1.7
243.04828	4.4
268.04172	4.2
285.06921	100.0
286.07056	9.9
376.62442	1.7
380.21231	1.7
399.01639	2.0
440.39548	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	459.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59747	0.6
59.01383	4.0
61.98833	0.9
63.94372	0.7
69.50066	2.7
81.03462	1.1
82.87626	0.7
87.12971	0.7
89.02455	0.7
93.03475	1.0
96.51923	0.7
107.05019	1.6
108.02194	2.2
109.02959	24.1
115.92062	1.0
121.02956	1.7
122.03760	1.3
123.04539	3.4
125.02432	0.7
127.28694	0.7
131.05037	1.0
133.02975	2.5
134.03793	4.5
135.04535	77.9
136.04866	2.7
145.02951	2.8
146.03647	0.9
159.04546	7.1
161.02460	8.2
161.06111	4.9
163.04019	1.1
165.09200	2.0
171.04497	1.7
172.05289	1.7
173.06096	3.4
174.03285	1.0
175.03990	1.4
175.07648	2.7
177.05574	7.9
185.06067	2.0
187.04004	2.3
187.07576	1.6
197.06107	1.6
199.03996	1.3
199.07687	0.8
201.05560	2.9
204.04373	0.8
209.06105	0.8
211.07550	1.2
212.04753	1.0
213.05534	4.0
214.06419	0.9
215.07104	2.3
223.07532	0.8
225.05579	1.0
225.09077	0.7
227.07022	1.9
235.07635	1.4
237.09348	1.3
239.07147	2.5
239.71419	0.7
241.05077	2.1
243.06612	3.4
251.07092	1.0
253.08669	0.9
255.06717	1.6
255.10124	1.3
262.06262	1.0
263.07010	0.9
264.07733	0.8
265.05112	0.8
265.08685	1.6
266.05814	1.4
277.08691	1.5
278.05637	0.8
279.06665	2.4
279.10162	1.0
280.07236	2.9
281.08212	8.4
282.08932	8.0
283.06082	1.8
291.06631	1.3
292.07321	0.9
293.08157	2.2
293.12704	0.9
294.08694	0.9
295.09656	1.5
297.11343	15.8
298.11862	1.2
306.08990	0.8
307.09705	1.8
315.01602	1.0
323.09259	14.0
324.09503	1.0
333.14020	0.7
335.09274	0.7
337.10727	1.2
349.10754	4.3
397.67841	0.7
401.10214	2.1
417.13455	1.6
420.95853	0.7
459.14517	100.0
460.14807	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	459.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20847	0.7
56.77260	0.7
59.01383	13.3
63.13985	0.6
65.66678	0.7
67.36208	0.7
71.01396	3.5
73.02945	1.2
78.68226	0.6
81.03461	3.4
83.01399	0.9
85.02955	1.3
89.02448	1.7
93.03477	2.0
101.02451	3.1
107.05043	1.7
108.02201	1.8
109.01785	0.8
109.02961	19.5
113.02421	1.2
115.05564	0.8
116.92847	1.1
117.03467	3.6
121.02972	2.8
122.03746	1.7
123.04507	6.5
125.02459	1.2
133.02962	5.7
134.03749	6.9
135.04535	100.0
136.04869	3.0
137.02464	4.7
139.04065	0.9
145.02959	9.2
145.06615	0.7
146.03732	1.4
147.04520	1.3
149.02486	1.2
149.06111	0.9
155.10768	0.7
158.03731	1.1
159.04530	7.7
160.05309	0.9
161.02458	31.6
161.04648	1.4
161.06068	6.9
162.03030	2.0
163.03992	1.4
163.06094	0.8
171.04552	2.3
172.05350	1.3
173.06058	4.1
174.06808	0.9
175.03999	3.1
175.07576	1.0
177.02060	3.6
177.05579	44.0
178.05922	1.2
185.06125	2.0
187.03967	1.7
187.07646	1.9
193.44316	0.7
194.02214	1.9
198.06923	1.0
199.03990	0.9
200.04755	0.8
201.05574	1.7
205.07191	0.8
211.07675	2.2
213.05556	3.1
213.09306	0.8
225.05574	1.5
227.07150	1.4
239.07169	2.7
243.06596	1.7
253.08762	0.9
263.07086	1.3
267.06668	0.7
279.06906	1.6
279.09985	0.9
280.07413	1.2
281.08276	5.3
282.09058	0.9
289.64963	0.8
293.08255	2.2
295.09775	2.5
297.11328	8.9
298.11569	0.8
299.99149	0.7
307.09576	1.0
313.03397	1.3
321.11343	2.7
323.09256	17.2
324.09604	1.2
335.09106	2.8
337.10928	1.6
349.10831	11.7
350.11288	0.9
381.13443	1.6
459.14487	87.8
460.14777	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	459.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88674	1.5
57.03235	1.5
57.03455	19.2
59.01388	13.0
60.32415	1.8
71.01377	5.7
73.02936	3.4
79.95737	13.4
80.96534	1.7
81.95318	20.5
81.96143	2.9
85.02969	3.4
85.17731	1.7
93.03448	3.9
95.01411	3.2
96.96022	5.2
98.95602	4.7
98.96472	1.8
99.03968	2.2
99.04517	12.6
101.02447	5.5
108.02187	32.2
109.02976	20.7
113.02430	3.1
117.05601	9.0
121.02980	6.1
122.03738	6.8
123.00900	16.4
123.04552	2.2
123.31357	1.5
125.02428	8.9
133.02988	3.0
137.02370	2.3
138.03235	27.5
141.40306	1.5
149.02438	25.6
150.03255	55.6
150.31573	1.9
151.03664	13.6
151.99965	2.9
152.01164	34.2
152.03737	5.3
153.01962	19.4
153.05560	19.4
161.04558	3.1
164.04808	6.5
165.01952	3.2
165.05583	69.7
166.05940	15.9
166.20271	1.6
167.06015	9.2
169.01433	3.2
179.03596	1.8
180.04277	7.4
181.08749	1.7
195.06633	16.9
196.07004	4.3
197.07123	3.5
204.99567	1.9
213.80638	1.5
214.30566	1.7
224.75862	1.4
224.88231	1.7
237.11165	1.7
246.01492	1.8
247.01054	5.3
261.02420	1.7
277.01895	2.8
297.06201	2.1
314.11658	7.9
315.07263	7.2
315.10779	2.3
316.12061	3.7
329.13947	11.3
330.14331	2.2
331.14539	5.4
413.66946	1.7
415.12274	6.4
459.11865	100.0
460.11502	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	459.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	7.7
57.88469	2.4
59.01382	67.8
69.08209	3.7
69.08605	13.5
69.80186	1.9
71.01384	13.8
71.05019	2.4
73.02958	5.1
85.02969	8.7
89.02454	10.4
92.40279	2.5
93.03490	4.4
94.96339	1.9
95.01461	1.9
99.04523	3.2
101.02444	10.8
108.02186	54.4
109.02974	44.2
109.06625	3.3
113.02459	11.0
117.04870	2.3
117.05570	13.7
119.03539	7.4
121.02975	3.8
123.00908	3.6
123.04562	5.2
123.07285	3.3
123.08175	65.2
125.02486	7.1
133.10246	4.1
135.00931	9.3
135.04500	2.3
137.02487	5.4
137.06140	8.0
138.03265	2.5
149.02481	4.6
149.09718	19.8
150.03267	3.3
152.01172	60.8
153.01939	44.0
153.05554	2.2
156.73325	2.1
159.08185	4.3
161.04526	2.8
163.04103	2.5
164.04825	2.3
165.05618	5.4
169.01494	8.0
175.11333	6.8
177.09273	2.5
179.07231	4.3
181.05118	5.2
186.06876	15.7
193.08749	4.0
193.12459	5.1
195.02998	15.9
201.09288	8.5
219.10280	41.9
237.11327	89.2
238.11746	3.1
255.05179	16.3
267.67075	2.0
270.51205	2.2
279.07953	2.3
297.06271	4.3
315.07242	19.2
323.13608	2.3
415.12469	15.1
459.15289	100.0
460.15616	7.9
469.52179	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.8
59.01385	61.3
69.24194	15.7
71.01389	31.7
72.99309	4.5
73.02949	4.4
81.24963	2.7
83.01412	2.4
85.02960	6.4
85.66413	2.1
89.02448	51.2
97.02966	2.3
101.02460	13.6
101.35612	2.1
104.00999	2.0
108.02190	3.8
109.02982	7.8
111.00877	2.7
113.02426	14.2
119.03519	20.6
121.06607	11.2
123.08155	4.9
125.02460	7.1
131.03519	3.2
133.06627	3.5
134.07410	6.3
137.02440	3.3
140.33281	2.0
143.03534	4.6
149.09747	18.9
152.01167	4.6
153.01994	3.7
161.04591	8.7
168.00694	3.5
169.01425	4.6
175.07658	7.9
175.11295	45.7
179.05635	14.3
193.08696	5.1
193.12341	100.0
194.12685	6.4
201.09131	4.5
219.10321	6.6
237.11346	45.5
459.14996	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	459.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.4
57.22086	0.6
59.01376	2.9
60.99306	1.2
67.01895	0.6
67.05523	1.2
68.99823	0.9
69.03445	0.9
70.13358	2.2
71.01360	0.8
71.05029	0.9
73.02942	1.6
83.01394	2.2
83.05032	1.6
85.02944	4.4
85.06595	3.2
87.00920	0.8
87.04520	34.9
88.04843	0.7
89.41828	0.7
93.03436	1.0
93.24966	0.6
95.01448	0.8
95.05025	2.1
97.02977	0.8
97.06612	1.3
104.04765	0.7
107.05010	1.0
108.02171	0.8
109.02959	14.5
109.06601	6.7
111.00892	13.7
111.04529	100.0
111.08169	1.8
112.04878	2.4
113.06063	0.9
113.09721	4.0
121.37325	0.6
123.04500	0.8
123.08178	1.3
125.06096	0.8
125.09765	2.1
127.07608	0.7
127.57339	0.8
135.04523	1.2
135.08127	2.1
136.05327	1.5
137.02469	1.7
137.06085	2.2
149.06107	0.9
151.07651	3.3
155.07133	3.5
159.30008	0.7
173.11758	1.5
179.07147	45.7
180.07509	1.7
181.05096	0.8
181.08713	22.7
182.09003	1.5
183.06607	2.0
184.89821	0.8
187.09836	1.4
190.97423	0.7
195.06670	1.3
207.06583	1.2
209.08192	1.0
223.06125	48.4
224.06438	1.9
227.07220	1.0
245.11778	1.7
252.02846	0.8
261.14911	1.3
271.06219	5.8
273.11371	0.9
288.13550	2.4
303.15729	3.1
327.15997	2.6
329.10263	1.3
329.13943	16.6
330.14157	1.8
339.12009	1.5
343.26257	1.1
347.14841	2.7
367.26169	0.7
367.30139	8.0
368.30637	0.9
369.27612	0.7
371.29556	1.6
373.27237	1.6
385.31384	1.3
387.32516	1.3
395.29477	2.9
397.20035	1.0
397.31357	7.8
399.18201	0.9
415.21161	11.0
415.28448	3.5
416.21494	1.6
417.22369	1.2
431.31531	1.3
441.29639	2.7
450.50739	0.8
459.20175	34.9
459.31735	43.7
460.20624	3.9
460.31769	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	459.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	100.0
59.01381	87.9
61.98832	2.6
71.01375	16.5
73.02956	8.6
83.01373	3.6
85.02967	8.0
89.02463	2.9
98.21836	6.3
99.00854	4.9
99.04523	81.3
99.94263	2.1
101.02454	33.6
109.08276	2.0
113.02464	7.7
116.92921	3.3
125.02441	27.1
143.03532	2.7
161.04567	6.2
166.65907	2.1
173.33783	2.1
177.01793	2.4
263.39749	2.6
311.09146	2.6
315.18140	31.5
322.51593	2.1
357.19437	4.1
397.27402	3.5
415.28488	8.2
441.30185	4.9
459.14899	4.4
459.22287	6.4
459.27106	9.8
459.31598	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	459.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
60.76419	0.4
80.76195	0.4
85.06563	0.7
87.04517	1.1
93.44368	0.4
95.05031	1.0
97.02965	0.6
105.54950	0.5
109.06606	4.4
111.04517	2.7
112.15861	0.4
113.09736	2.2
120.98494	0.4
122.98840	0.4
123.08168	0.8
125.06104	0.7
137.09688	0.5
139.04036	1.8
153.05576	2.0
164.08531	0.5
165.09213	3.3
171.70808	0.4
179.10782	19.6
180.11136	1.1
181.08698	15.9
182.09033	0.7
205.08733	0.6
209.08189	18.1
210.08459	1.1
223.06152	3.2
223.09761	100.0
224.10133	5.4
233.15565	0.5
235.06073	0.7
237.07712	1.2
249.07695	0.6
261.11392	0.8
277.14441	6.3
291.16034	0.7
298.36276	0.4
323.41922	0.5
380.76151	0.6
458.37381	2.6
459.23434	6.8
459.37540	13.7
460.24023	1.3
460.38019	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30600	0.5
55.01886	0.6
55.71643	0.6
60.35244	0.5
61.62246	0.5
68.26208	0.6
69.36485	0.5
70.74948	0.5
70.91889	0.7
71.05020	1.8
75.82885	0.6
76.41151	0.5
77.03971	0.6
79.01900	1.9
83.65488	0.5
95.05044	6.3
97.02966	2.7
99.08160	0.6
99.54308	0.6
109.06586	1.3
111.04514	0.7
113.09756	0.8
117.36269	0.7
121.02996	1.0
122.03724	0.6
123.08162	2.4
124.98766	0.6
125.06120	2.9
136.05354	0.6
137.09712	2.0
139.04022	13.8
150.23430	0.5
158.70598	0.6
165.01935	2.0
165.09210	11.6
166.09599	0.9
179.10776	22.6
180.11125	1.2
181.08693	4.2
191.07112	1.0
193.08714	0.7
205.08759	0.7
209.08199	63.9
210.08481	2.9
215.12178	0.6
223.09764	100.0
224.10083	5.7
233.15388	0.5
277.14456	7.9
431.87497	0.6
459.23901	28.9
460.24112	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	459.26
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.98832	1.8
71.01382	7.4
71.04891	1.2
72.99326	0.8
73.03004	0.9
80.48156	0.8
85.02944	1.8
89.02460	11.9
101.02441	4.9
109.02957	2.6
113.02459	3.4
119.03499	5.2
125.02474	0.8
133.03040	0.9
135.04568	5.7
137.02457	2.0
143.03500	1.1
153.05713	0.8
161.02467	1.0
161.04482	1.4
175.04019	1.2
177.01941	1.0
177.05515	1.4
179.05606	2.5
197.00191	0.8
203.03510	1.4
217.04988	1.0
295.06149	0.9
296.06897	3.7
297.07910	1.3
297.11368	1.7
309.11322	2.9
323.09204	3.0
369.09671	2.0
369.13675	1.1
384.12451	1.0
388.81183	0.9
399.14505	12.9
423.27606	1.3
459.14246	8.9
460.14648	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	459.26
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.98832	1.8
71.01382	7.4
71.04891	1.2
72.99326	0.8
73.03004	0.9
80.48156	0.8
85.02944	1.8
89.02460	11.9
101.02441	4.9
109.02957	2.6
113.02459	3.4
119.03499	5.2
125.02474	0.8
133.03040	0.9
135.04568	5.7
137.02457	2.0
143.03500	1.1
153.05713	0.8
161.02467	1.0
161.04482	1.4
175.04019	1.2
177.01941	1.0
177.05515	1.4
179.05606	2.5
197.00191	0.8
203.03510	1.4
217.04988	1.0
295.06149	0.9
296.06897	3.7
297.07910	1.3
297.11368	1.7
309.11322	2.9
323.09204	3.0
369.09671	2.0
369.13675	1.1
384.12451	1.0
388.81183	0.9
399.14505	12.9
423.27606	1.3
459.14246	8.9
460.14648	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	459.2757
Annotation	Lucidenic acid N
Peak:m/z	Relative Intensity
56.50336	2.3
57.03465	3.4
59.01392	6.3
61.19349	2.2
69.02369	18.7
71.01360	2.4
71.05029	3.6
83.05014	2.8
94.84332	2.2
96.95998	6.0
98.22496	4.1
104.34341	2.4
121.03024	2.4
142.45683	2.4
189.63831	2.8
191.14474	2.9
339.42889	2.8
353.28571	2.7
381.24423	11.6
397.27411	34.3
415.27798	13.6
441.26495	6.6
453.51541	2.4
459.26776	100.0
459.33505	13.3
460.27133	12.1
460.35202	3.7
474.97235	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	459.2756
Annotation	Spongianolide A
Peak:m/z	Relative Intensity
51.82661	1.2
57.03426	1.5
59.01357	2.1
59.55804	1.1
69.32834	6.3
76.36158	1.0
83.01971	1.3
97.06548	1.6
125.09682	1.6
137.09628	1.3
171.29362	1.2
249.59283	1.1
265.30661	1.4
339.23282	1.2
341.28110	3.6
352.81134	1.6
353.28061	5.1
369.27573	1.9
371.29660	11.6
372.29553	1.1
375.18054	1.2
375.73230	1.2
397.26999	3.3
415.28308	34.7
415.32321	1.3
416.28305	4.7
459.27017	100.0
460.27438	11.7
460.33124	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2758
Annotation	Lucidenic acid N
Peak:m/z	Relative Intensity
50.01545	1.6
57.03440	2.0
57.84109	1.6
59.01388	15.0
69.03463	13.9
69.70547	4.8
71.01371	2.8
78.49349	1.7
83.30028	1.5
84.43684	1.6
85.17273	1.7
85.52208	1.4
87.00861	1.6
87.04526	4.2
89.02496	2.5
90.27998	1.4
91.04025	8.2
99.25756	1.6
99.92584	4.0
111.08154	1.5
113.02444	5.9
115.92071	9.3
116.92863	4.9
118.23624	1.6
125.09802	1.7
137.09694	3.0
153.61551	1.7
173.62346	1.6
246.46233	1.6
249.22249	7.5
282.28931	2.0
293.21310	6.2
311.22394	4.6
329.24713	1.8
331.24915	2.5
337.25446	5.5
341.28461	15.8
343.26758	2.3
353.28580	2.5
355.26459	4.3
369.27844	8.0
371.29669	13.7
385.26181	1.9
393.74371	1.7
395.29916	2.0
397.27396	17.4
413.30667	7.0
415.28244	22.8
416.28851	2.1
431.32114	2.0
441.34116	2.6
459.27628	100.0
459.32153	13.7
460.26877	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2908
Annotation	Menatetrenone Epoxide
Peak:m/z	Relative Intensity
63.46698	0.8
70.31112	2.1
70.31498	2.0
107.05036	27.1
107.05743	2.2
116.92839	1.2
127.16217	1.0
163.11299	100.0
164.11598	3.5
209.08174	1.5
283.17059	27.4
284.17279	2.1
292.08154	0.9
295.17053	17.3
371.33096	3.1
415.32083	2.2
459.29025	75.2
460.29449	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	459.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.3
58.00600	0.7
59.01380	1.5
69.03454	0.5
71.01382	0.6
71.05006	0.4
71.28142	0.5
73.02941	1.8
83.05041	1.4
85.02950	0.7
85.06616	0.7
87.04562	0.3
95.05042	0.7
97.06583	2.7
101.02437	1.7
101.06121	0.4
107.05046	0.5
109.02975	0.5
109.06642	0.9
111.04549	1.6
111.08163	1.1
113.06110	0.9
113.09799	0.4
123.04514	0.4
123.08189	1.1
125.06113	0.7
125.09735	12.6
125.10641	0.7
127.11324	0.6
137.02432	0.5
139.11304	0.5
155.10771	0.7
157.12318	0.4
165.01695	0.3
165.09264	0.4
171.10266	0.6
173.11838	4.4
174.12273	0.4
179.07162	1.9
181.08717	2.7
183.06706	0.8
187.09760	5.3
191.14478	0.6
195.06625	0.6
205.16077	0.8
207.06622	0.5
209.08255	0.5
209.28465	0.4
215.12804	0.5
221.08278	1.6
222.08559	1.7
223.02502	0.8
223.06168	0.9
223.08784	1.2
223.17009	2.1
225.07753	0.4
232.61633	0.4
241.18254	0.6
249.15018	1.0
267.16159	0.9
271.19208	0.6
285.17032	1.7
289.17175	0.5
289.20169	2.3
303.18271	0.7
316.02078	0.4
331.25159	0.4
341.25052	0.5
343.26382	0.6
365.28598	0.7
367.30203	1.2
379.26114	0.5
383.29721	1.1
385.27322	1.9
395.29602	1.7
397.31723	0.7
411.29538	0.4
413.30789	0.8
415.32385	10.4
416.32428	1.1
427.11899	0.4
441.29480	1.2
459.23395	3.5
459.30963	100.0
460.31470	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	459.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.4
59.01374	1.2
69.43502	2.7
73.02924	1.2
81.03462	29.2
82.03799	1.2
83.05034	80.1
83.53604	0.7
84.05348	1.1
95.05020	0.7
97.06602	1.0
101.06095	17.7
111.08163	2.2
116.92853	0.9
123.10102	0.7
125.09714	3.8
125.66461	0.8
127.04002	3.2
127.11292	1.8
145.05084	23.9
146.05319	0.9
153.12868	1.5
155.10796	0.9
171.10284	2.0
173.08133	1.5
176.94357	0.9
187.09784	1.7
197.11745	1.0
215.12833	2.0
287.22110	0.9
304.61624	0.7
313.23843	5.6
327.88782	0.7
329.23187	0.8
331.24893	30.5
331.70383	0.8
332.25238	2.3
415.28564	2.1
429.09201	0.9
441.28281	3.1
441.34079	1.5
459.29568	100.0
460.29947	10.5
460.35693	1.0
482.68356	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56804	0.4
51.84281	0.4
57.03444	0.9
59.01376	1.9
61.09463	0.4
69.03455	0.7
69.59572	1.2
69.59975	1.1
73.02959	3.2
81.03464	29.8
81.25053	0.4
82.03802	0.8
82.50641	0.4
83.05032	84.4
84.05378	2.0
95.05042	0.5
97.06602	0.7
101.02455	5.0
101.06087	16.9
109.06548	0.4
111.04519	1.2
111.08173	1.9
123.20861	0.4
125.09754	2.0
127.03993	3.7
127.11312	2.6
143.10802	0.6
145.05075	24.0
157.12326	1.0
159.10403	0.5
171.10326	1.6
173.08249	0.7
173.11868	0.8
179.07170	0.5
181.08722	1.0
183.06688	0.5
187.09779	0.9
195.06628	0.5
196.61671	0.5
209.08205	0.8
221.18787	0.5
251.39497	0.6
277.10800	0.6
287.22241	1.1
295.22842	0.9
296.88214	0.4
303.21735	1.0
313.23837	5.8
314.24139	0.9
329.23447	1.5
331.24918	35.4
332.25217	2.2
397.27191	0.7
399.28189	0.6
400.73807	0.6
412.45065	0.5
415.28458	1.1
441.28455	2.7
459.29694	100.0
460.23849	1.0
460.30035	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	459.312
Annotation	Stoloniferone G
Peak:m/z	Relative Intensity
71.01385	2.6
71.04995	0.5
78.36954	0.3
98.22643	0.7
99.41329	0.4
109.06544	0.5
112.77507	0.4
127.07689	0.5
151.67917	0.4
203.05281	0.4
212.38388	0.4
250.09804	0.4
305.36087	0.4
331.48206	0.4
397.31042	0.8
413.30624	1.4
415.32175	31.3
416.32492	3.1
441.34470	0.6
459.31128	100.0
460.31564	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	459.312
Annotation	Stoloniferone G
Peak:m/z	Relative Intensity
59.01376	1.5
66.99767	0.4
69.03472	0.5
69.15940	3.2
71.04992	0.6
87.04521	1.7
97.02974	0.5
97.06585	0.5
97.24120	0.5
98.21815	0.9
124.93006	0.6
137.09787	0.5
171.46370	0.6
183.23250	0.5
222.05783	0.5
223.20975	0.5
266.02246	0.5
337.25818	0.6
341.28616	0.6
369.28125	1.3
371.29419	0.7
386.90939	0.5
397.27579	1.5
397.31970	0.7
413.31100	0.6
415.32288	48.8
416.32617	5.5
441.30194	1.6
457.33377	0.9
459.31381	100.0
460.31741	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	459.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.9
58.00596	0.7
61.98830	0.5
66.43359	0.4
69.03461	0.5
69.40314	2.7
73.02951	1.5
79.85408	0.4
83.05032	1.9
85.06605	0.9
85.48983	0.4
94.08301	0.5
95.05058	0.5
97.06609	2.0
101.02474	1.4
111.04539	1.5
111.08169	0.7
113.06100	0.6
123.08169	1.0
125.09731	8.4
155.07230	0.5
169.12254	0.5
171.10301	0.7
173.11844	3.9
175.72690	0.6
179.07195	2.3
181.08788	1.4
183.06760	1.0
187.09755	3.0
205.16077	0.7
221.08203	0.8
222.08641	0.7
223.02756	0.5
223.06094	0.8
223.17035	2.5
223.72720	0.5
249.14948	0.6
267.16068	1.1
285.17096	1.2
289.20346	1.8
303.18234	0.9
341.24942	0.6
367.30466	0.8
384.07996	0.5
385.27560	1.8
395.29678	1.7
397.31342	1.0
413.31039	0.6
415.32336	11.5
416.32755	1.3
441.29352	1.6
459.31055	100.0
460.31503	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3118
Annotation	Stoloniferone G
Peak:m/z	Relative Intensity
52.12607	0.4
55.67954	0.4
57.03449	4.2
57.91378	0.4
59.01383	1.9
69.03459	0.6
69.69855	0.7
69.70252	1.0
71.01376	0.9
71.05015	1.1
73.02934	0.7
77.60725	0.3
83.05038	1.5
85.02958	4.6
85.06599	0.7
87.00904	0.5
87.04557	0.9
95.05022	0.7
97.06614	1.7
98.21899	0.6
99.00897	0.7
101.64663	0.4
106.01897	0.3
107.05026	0.5
109.02924	0.5
109.06613	2.5
111.00900	0.4
111.04546	3.3
111.05207	0.5
111.08134	1.9
113.02474	1.0
121.03000	0.5
123.08135	0.6
125.09751	1.3
127.04073	0.5
135.08150	0.7
137.02454	0.7
137.09712	0.5
145.05055	0.8
149.06094	0.4
152.99608	0.4
155.07153	1.1
160.84221	0.9
162.83945	2.9
173.06119	0.4
173.08299	0.5
179.07199	1.1
181.05101	0.5
181.08740	1.6
183.06657	1.6
187.09755	0.5
195.06670	2.0
201.11261	0.6
207.06630	1.2
209.08215	0.7
223.06287	0.6
223.09966	0.7
251.09366	0.6
261.18628	1.5
266.71204	0.5
273.18729	0.8
275.20203	3.6
277.21753	20.3
278.21964	1.9
325.25443	1.5
331.24890	0.6
343.26620	0.7
345.27972	4.0
369.24207	0.4
369.28268	0.4
371.29767	0.5
375.18259	1.1
393.28180	0.6
395.29556	2.6
397.27045	3.9
397.31430	1.3
397.35635	0.4
398.27896	0.5
413.30679	0.6
415.27777	0.7
415.32880	3.1
416.33286	0.5
423.29398	1.1
441.30139	7.4
442.30258	0.8
459.31293	100.0
460.31693	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	459.312
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90083	0.7
59.01371	3.0
61.98824	1.2
64.43330	0.7
69.09608	1.5
69.10014	3.6
71.01373	2.0
73.02987	0.8
80.54537	0.8
95.05033	0.7
98.22521	1.4
99.92574	1.3
105.40881	0.8
108.89816	0.7
115.92091	1.2
116.92881	9.8
120.00274	0.7
125.09743	0.7
127.33226	0.6
140.93803	0.8
141.05348	0.8
143.25182	0.8
154.93611	0.7
209.28178	0.8
243.86458	0.8
253.08475	0.8
279.38107	0.8
401.45956	0.7
413.30713	1.5
415.32224	31.5
416.32697	4.0
441.30554	1.2
457.29712	3.8
459.13409	2.1
459.31323	100.0
460.31686	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	459.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.8
59.01358	1.0
69.03459	6.2
69.97544	0.9
70.85941	1.0
70.86272	1.5
73.02937	1.0
75.32906	0.9
84.82577	0.8
87.04523	43.1
97.66269	0.9
99.00885	1.3
99.10941	0.9
104.13677	0.9
123.08171	6.7
131.03526	2.0
135.08221	1.1
137.09746	4.1
169.08720	100.0
170.09064	3.4
223.20853	1.1
257.15543	2.1
273.18610	69.8
274.18973	5.8
285.20676	1.3
289.21771	34.2
290.22177	2.1
359.24417	1.9
397.31503	1.3
415.28375	2.6
441.34433	7.2
459.30142	86.4
459.35861	24.4
460.30652	12.3
460.97864	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
58.96787	0.6
69.52153	1.9
69.52554	2.8
71.01408	1.3
74.94189	0.8
82.75571	0.9
87.04529	2.4
96.87001	0.7
97.06640	0.7
99.08171	2.6
104.73592	0.8
109.06628	0.8
125.02516	1.1
125.09743	1.8
127.07682	4.0
127.11288	6.5
137.09673	0.9
143.10831	1.3
145.08716	19.0
145.09784	1.3
153.01961	1.9
155.10854	2.1
157.12375	4.0
167.13733	0.8
171.10300	1.7
181.08723	1.0
187.13422	1.2
192.28951	0.8
201.11356	1.1
202.39056	0.8
209.08315	1.0
223.06297	1.3
233.46211	0.7
246.28024	0.7
295.23041	2.2
313.23898	10.4
327.21954	0.9
329.23257	4.7
331.24921	65.3
332.25113	4.7
345.28156	2.6
371.29517	1.0
397.31265	2.3
415.32217	17.9
416.32764	2.4
441.30252	2.8
442.30859	1.1
459.32657	100.0
460.33371	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	459.3485
Annotation	CHEBI:70457
Peak:m/z	Relative Intensity
57.03432	0.9
65.58706	0.5
71.05029	0.9
71.28170	0.7
81.03446	2.3
111.08129	1.1
116.92876	1.1
122.03738	0.9
125.02456	2.0
125.06089	1.6
131.51865	0.7
137.09677	0.6
165.09219	17.4
166.09557	0.8
179.51595	0.6
181.08682	1.8
191.07198	1.0
209.08199	72.4
210.08553	3.9
220.20320	0.6
226.24814	0.5
277.14560	3.7
279.13055	0.5
290.14105	0.6
293.81665	0.6
399.32693	1.3
413.34268	0.7
459.23935	2.9
459.34885	100.0
460.35236	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	459.3484
Annotation	CHEBI:70457
Peak:m/z	Relative Intensity
59.01379	0.2
60.82343	0.2
62.21117	0.2
65.65772	0.2
65.78542	0.2
69.06741	0.9
69.07166	0.7
82.24063	0.2
84.72224	0.2
87.04523	0.2
99.00917	0.3
111.00923	0.2
111.04521	0.7
113.02543	0.2
113.09723	0.2
122.38774	0.2
125.02489	0.3
165.02066	0.2
179.07162	0.5
181.05200	0.2
181.08722	1.3
183.06677	0.6
195.06621	0.3
207.06564	0.2
209.08224	0.7
221.08492	0.2
223.06146	0.9
227.39201	0.2
261.07617	0.5
305.06406	0.3
375.17966	0.4
397.31146	0.9
399.32639	1.8
406.30771	0.2
413.34219	0.6
415.32516	0.5
459.34845	100.0
460.35205	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	459.3489
Annotation	CHEBI:70457
Peak:m/z	Relative Intensity
57.03426	0.6
58.81283	0.7
69.91133	1.2
69.91491	1.6
83.05006	0.8
86.54456	0.7
87.04525	0.8
111.08162	1.5
116.45122	0.6
159.69781	0.7
238.54916	0.6
252.11006	0.8
270.57959	0.7
271.85959	0.6
280.03674	0.6
285.99426	0.7
287.80670	0.7
320.21576	0.6
443.34955	0.9
457.36649	0.9
459.34891	100.0
460.35300	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	459.3483
Annotation	CHEBI:70457
Peak:m/z	Relative Intensity
53.60842	0.3
57.03445	0.5
59.01376	0.7
59.62325	0.3
62.92585	0.3
80.99229	0.3
91.62314	0.3
92.07534	0.4
93.82681	0.3
96.96014	0.9
97.02996	0.3
97.06621	0.4
109.98376	0.3
117.68338	0.3
122.70502	0.4
305.33911	0.3
318.59064	0.3
375.18188	0.4
397.31268	1.5
398.31577	0.4
399.32745	2.3
413.34457	1.3
441.34427	0.8
459.34903	100.0
460.28650	0.7
460.35217	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	459.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
71.29517	2.4
96.96050	1.8
109.06618	1.7
115.92097	1.6
116.92903	2.6
123.71446	1.3
169.23906	1.7
192.37726	1.5
341.28369	8.9
343.30051	63.7
344.30447	5.6
345.31653	57.6
346.32141	3.7
359.29681	1.9
377.30609	20.8
381.92725	1.5
385.78690	1.6
389.30655	18.9
397.34787	100.0
398.35168	11.8
459.34842	25.2
460.35068	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	460.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15664	8.4
58.00601	8.9
59.01380	85.7
59.50011	7.6
65.99484	7.5
69.49722	29.5
69.50130	19.2
70.21239	6.7
71.01399	37.5
73.02931	27.7
83.01328	8.6
85.02959	22.6
89.02445	24.0
93.03451	19.2
95.01412	8.7
101.02439	23.7
103.04024	13.3
113.02441	10.2
125.02434	26.3
161.04578	22.8
163.06113	14.3
166.06352	68.8
168.00647	8.0
169.01491	12.5
181.08728	100.0
226.93169	7.3
235.08231	10.8
269.10257	16.2
275.01526	8.4
307.10361	23.9
443.56091	8.3
461.12018	15.2
467.68607	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	460.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	4.2
58.00584	5.1
59.01381	87.3
60.65370	3.9
61.98835	4.6
70.54437	4.0
71.01385	100.0
71.29178	6.1
73.02944	18.8
76.04308	3.7
83.01415	6.1
85.02946	40.0
87.00883	7.2
89.02463	56.5
93.03462	3.9
99.00883	13.3
99.04556	11.2
101.02454	64.6
101.06074	6.0
107.01358	6.2
108.02169	21.7
109.02962	18.2
111.00916	6.2
113.02451	49.0
117.03500	13.7
119.03536	23.1
120.99668	16.2
123.00896	5.7
125.02428	9.1
135.04509	4.4
143.03517	6.2
145.02979	35.2
152.01198	35.7
153.01962	13.0
159.03098	7.5
161.04573	74.6
163.04036	5.9
164.04829	12.6
169.01453	5.7
179.05693	10.1
179.07248	14.8
180.99715	38.1
183.10184	5.5
185.06184	5.5
187.04141	3.9
189.07680	5.1
195.01205	8.1
196.02005	56.3
211.04330	44.9
229.05003	7.6
255.16121	4.9
256.03702	8.0
284.03339	34.0
285.04108	57.0
299.05652	48.5
315.07220	18.5
333.15585	15.1
373.09631	33.4
401.95462	4.3
461.10999	69.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	5.2
58.00599	4.9
59.01381	65.6
62.17137	4.6
67.02217	4.2
69.75520	18.6
71.01389	100.0
71.05018	6.1
73.02946	16.9
83.01387	10.9
85.02971	33.2
87.00889	7.4
89.02454	54.8
95.01393	10.1
99.00914	10.8
99.04543	12.4
101.02448	57.5
101.06129	8.3
113.02467	39.3
119.03513	18.1
120.99680	6.2
123.04560	4.5
123.58168	4.3
125.02465	11.5
143.03513	5.6
159.03040	12.9
161.04572	81.1
162.04828	4.7
169.01375	6.0
179.05630	9.1
211.24713	4.2
255.15855	7.6
271.02457	10.2
284.06665	4.7
299.02081	9.1
299.05630	5.6
299.09082	8.4
300.02490	4.9
315.05124	5.7
333.15442	23.4
460.18735	33.3
461.11163	7.9
461.19321	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	4.2
58.00584	5.1
59.01381	87.3
60.65370	3.9
61.98835	4.6
70.54437	4.0
71.01385	100.0
71.29178	6.1
73.02944	18.8
76.04308	3.7
83.01415	6.1
85.02946	40.0
87.00883	7.2
89.02463	56.5
93.03462	3.9
99.00883	13.3
99.04556	11.2
101.02454	64.6
101.06074	6.0
107.01358	6.2
108.02169	21.7
109.02962	18.2
111.00916	6.2
113.02451	49.0
117.03500	13.7
119.03536	23.1
120.99668	16.2
123.00896	5.7
125.02428	9.1
135.04509	4.4
143.03517	6.2
145.02979	35.2
152.01198	35.7
153.01962	13.0
159.03098	7.5
161.04573	74.6
163.04036	5.9
164.04829	12.6
169.01453	5.7
179.05693	10.1
179.07248	14.8
180.99715	38.1
183.10184	5.5
185.06184	5.5
187.04141	3.9
189.07680	5.1
195.01205	8.1
196.02005	56.3
211.04330	44.9
229.05003	7.6
255.16121	4.9
256.03702	8.0
284.03339	34.0
285.04108	57.0
299.05652	48.5
315.07220	18.5
333.15585	15.1
373.09631	33.4
401.95462	4.3
461.10999	69.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.0732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.7
57.03436	1.2
57.81528	0.5
59.01141	0.5
59.01385	6.0
63.02403	1.0
65.00294	0.7
67.01849	0.6
68.99825	0.5
69.09057	3.1
71.01384	7.0
72.99309	1.4
75.00864	2.4
79.95761	0.6
83.01391	0.9
85.02958	7.7
87.00880	1.5
89.02439	1.0
91.96922	0.5
93.03451	2.7
95.01389	2.5
97.02970	0.9
97.81947	0.7
99.00883	3.7
103.00376	2.3
103.68798	0.6
107.01394	2.5
108.05803	0.6
109.02969	3.0
113.02460	14.3
113.06059	1.7
115.00326	0.6
117.01965	1.1
117.03491	0.8
117.75658	0.5
118.42886	0.5
119.05058	1.4
122.03743	0.6
123.08163	0.5
125.06136	1.1
129.01942	0.7
131.04985	0.5
133.02980	0.8
135.00941	0.9
135.04501	1.5
136.05298	0.8
137.02385	1.0
138.06894	0.8
139.07669	3.4
143.04979	1.3
149.06013	0.6
151.00354	2.3
151.07655	6.6
152.04788	0.7
152.08415	2.1
153.01949	1.3
153.09221	1.5
157.06630	1.2
159.04527	1.6
161.02505	1.1
163.00374	1.9
163.04022	0.8
163.07686	0.8
165.01997	0.8
167.05040	0.9
169.01503	0.7
169.06587	1.2
171.04500	1.0
174.98674	0.6
175.02522	3.0
175.03772	0.6
179.03456	0.9
183.04553	0.6
185.06047	3.7
187.04051	4.6
189.05632	1.0
195.04472	0.8
201.05649	1.1
201.12849	1.9
204.11577	3.1
205.05136	1.3
206.05495	0.6
211.03999	2.1
212.04764	0.9
213.05594	2.3
214.02701	0.5
219.13927	5.6
223.03905	0.8
227.03511	3.5
229.05057	11.5
229.07216	1.0
229.97066	0.6
235.05247	0.7
239.03482	1.3
241.05014	1.5
255.02985	1.9
256.03775	1.3
257.04535	6.9
263.12885	13.7
264.13153	0.7
285.04062	100.0
286.04367	6.6
297.06177	0.6
298.98218	0.7
301.03589	1.2
339.08731	0.7
340.39346	0.6
341.52927	0.5
355.94092	0.6
461.06723	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.073
Annotation	Unknow
Peak:m/z	Relative Intensity
69.37476	0.2
71.75993	0.2
76.84365	0.3
79.95718	0.2
99.39550	0.3
102.35179	0.2
109.03014	0.3
160.01666	0.3
172.01712	0.4
188.01219	0.3
200.01180	0.7
216.00606	1.1
228.00490	0.5
229.20035	0.2
242.99298	1.3
244.00119	1.5
270.98840	4.9
271.99515	0.6
281.17615	0.2
298.98352	3.9
299.99133	100.0
300.99503	6.0
312.99960	0.3
314.00735	2.2
314.04083	0.3
315.01495	90.0
316.01788	6.4
346.80270	0.2
368.44394	0.3
461.07269	18.1
462.07483	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.0731
Annotation	Stenophyllin
Peak:m/z	Relative Intensity
59.01384	10.4
60.01706	1.3
61.98817	1.5
67.30695	0.7
71.01376	1.4
89.01699	0.7
89.02443	0.7
92.86296	0.7
93.03443	2.5
96.95971	1.0
101.02459	0.7
115.92063	1.2
125.02406	1.6
135.04530	1.8
137.02408	3.0
139.03990	1.6
151.00337	0.8
155.10767	1.8
166.02710	1.0
169.05046	0.9
170.27734	0.7
175.04027	0.6
179.03439	1.2
181.05054	1.9
199.09720	0.9
253.75681	0.7
258.01672	2.2
259.02347	0.7
269.98068	5.4
270.98859	11.3
271.02161	1.1
271.99313	1.4
283.99634	2.4
285.00433	16.0
286.01111	4.2
297.00558	1.1
297.97522	18.6
298.98349	29.8
299.98843	3.0
300.02402	0.8
312.99911	43.8
314.00681	48.5
315.01248	6.6
328.02209	13.7
329.03033	100.0
330.03366	7.3
387.14441	1.0
461.07288	68.6
462.07660	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	461.094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40509	5.0
57.50816	5.4
59.01371	21.4
60.99331	9.3
71.01387	16.9
71.28293	6.4
73.02937	7.7
75.00885	15.1
81.03428	6.1
83.01421	5.2
85.02968	6.1
87.00864	7.9
88.98804	52.2
93.03477	5.3
101.02439	9.9
108.02237	7.7
111.00874	5.9
113.02464	9.0
118.92416	4.8
120.99680	39.3
121.02975	7.4
123.04552	35.8
125.02443	17.0
136.99103	6.3
149.02463	5.4
151.03979	6.0
167.03510	100.0
175.70950	5.2
191.03581	16.8
209.04538	9.2
315.01532	19.0
338.95850	9.6
352.30627	5.1
371.09656	8.0
376.54694	5.6
401.36856	5.1
415.16232	12.4
461.12466	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	461.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41391	0.2
59.01380	2.2
67.87466	0.2
69.21291	0.6
69.21697	1.2
70.57397	0.2
72.85179	0.4
73.02919	0.2
83.01400	0.3
85.02951	0.5
89.02448	0.4
93.03455	0.6
101.02443	0.4
107.01398	0.4
113.02470	0.5
125.02454	0.4
127.07645	0.3
132.02217	0.3
133.02957	0.9
135.04538	0.5
137.02446	1.2
137.06090	0.3
149.02429	0.4
151.00409	1.2
155.07137	0.3
161.02467	0.8
172.49275	0.2
177.05571	0.5
179.03510	0.9
183.10184	0.5
197.11856	0.4
199.03990	0.4
207.10185	0.5
221.04546	0.5
225.11301	0.9
227.03534	1.8
232.28865	0.2
241.05089	7.2
242.05463	0.6
253.09045	0.3
255.02960	2.0
256.03769	31.4
257.04202	2.0
269.04541	4.9
270.05173	0.9
283.02524	0.6
283.09708	0.3
284.03268	100.0
285.03778	10.9
286.04510	0.4
297.04065	0.7
298.04828	6.1
299.05612	90.7
300.02966	0.3
300.05939	7.0
315.20410	0.3
327.05231	0.4
446.12134	0.3
457.44815	0.3
461.10150	7.2
461.20456	1.9
462.11295	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84738	0.4
59.01371	0.8
65.00315	0.6
67.08638	0.4
69.05308	2.8
71.01371	0.4
77.03970	1.7
78.63956	0.4
79.01897	3.6
93.03460	0.9
97.02962	1.0
105.03467	0.6
108.02165	2.0
109.02957	3.7
121.02966	9.1
123.00893	0.4
123.04531	0.7
133.02989	0.9
136.01642	0.4
137.02443	1.1
139.04005	1.1
148.01695	2.2
149.02481	2.6
150.03154	0.4
159.04575	0.4
160.79512	0.4
161.02403	0.4
161.53584	0.4
163.00345	0.4
164.01131	0.7
165.01944	16.0
166.02278	0.6
177.01930	3.7
178.02711	0.5
183.02985	0.5
183.06551	0.4
187.07649	0.5
193.01445	5.4
193.73701	0.4
197.06104	0.6
205.01514	0.7
209.05948	0.5
212.04784	0.5
213.05586	1.0
215.07152	0.6
225.05573	1.6
228.04254	0.5
229.05127	1.1
230.05814	0.5
240.04350	2.2
241.05003	4.0
242.02138	0.4
242.05568	0.4
243.06520	0.6
253.05194	0.5
257.04556	12.2
258.05093	1.2
259.05960	1.7
268.03769	1.2
269.04559	23.8
270.01907	0.8
270.04941	1.9
271.02393	0.9
284.03308	0.4
285.04056	50.3
286.04504	4.9
287.05499	0.9
297.04089	0.9
299.05594	0.8
313.03558	1.7
314.04340	99.7
315.05081	100.0
316.05487	6.8
461.10913	60.1
461.21664	0.7
461.24753	1.3
462.11295	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	461.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55122	0.8
69.89866	0.9
70.10198	2.5
79.01907	1.0
88.06498	0.8
88.98845	0.9
91.75364	1.0
107.01396	1.1
121.02960	2.8
149.02548	1.4
151.00345	1.9
156.48586	1.0
157.31354	1.0
165.01942	7.0
167.32680	1.0
175.04028	0.9
177.01939	1.1
193.01376	1.9
199.04030	4.4
201.02034	1.1
215.03543	1.8
227.03496	3.9
241.05049	9.9
243.03036	6.3
255.02986	3.6
256.03607	2.8
257.04468	4.7
269.04559	15.8
270.05252	2.0
271.02475	56.2
272.02881	3.4
284.03320	8.2
285.04025	9.2
298.04828	8.9
299.02029	98.4
299.05527	12.4
300.02682	26.3
300.05753	1.0
301.03061	1.4
314.04324	53.6
315.05072	42.1
316.05499	2.8
357.06720	1.1
461.10916	100.0
462.11249	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	461.1095
Annotation	Tamarixetin 3-rhamnoside
Peak:m/z	Relative Intensity
59.01386	5.3
61.98843	1.6
65.00333	2.4
69.03448	1.2
77.07290	1.3
89.02414	1.0
89.65731	1.2
93.03461	3.0
96.96014	8.3
97.02979	2.7
97.76089	1.0
101.27547	1.1
108.02121	1.1
109.02965	5.0
116.92352	1.5
121.02970	8.6
125.02377	1.4
135.04478	3.2
137.02446	3.4
149.02428	1.8
150.40982	1.1
151.00359	2.4
152.43526	1.2
157.93355	1.2
159.64981	1.1
163.00392	1.6
165.01924	24.0
179.03442	2.5
193.01402	2.9
199.04071	1.5
215.03474	1.9
226.02742	3.3
227.03499	5.6
243.02945	10.7
254.02197	3.4
255.02950	5.0
256.03604	2.4
269.04575	1.4
270.01700	1.7
271.02502	91.8
272.02850	6.1
285.04105	2.0
287.05643	2.5
299.01984	96.1
300.02625	22.6
301.03238	1.6
314.04337	98.3
315.05078	100.0
316.05408	6.0
343.21304	1.6
382.99988	1.2
423.16837	2.5
461.10883	82.4
461.28824	4.7
462.11215	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	461.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	1.0
56.98025	2.0
59.01385	34.4
60.97530	1.1
61.98816	2.3
63.96244	19.2
68.04550	0.9
69.97392	2.0
69.97780	1.4
71.01390	21.9
72.99296	2.1
73.02951	2.6
74.99109	6.4
81.84911	1.0
83.01395	2.6
83.05029	1.1
85.02958	5.6
87.00887	4.2
89.02460	25.4
93.03454	1.5
95.01413	3.2
97.02930	1.2
99.00938	1.1
101.02451	13.9
107.05035	0.9
113.02457	14.5
115.00360	1.0
117.97321	100.0
118.98103	1.1
119.03515	10.8
119.05035	2.1
123.04525	1.3
125.02486	5.4
129.05585	1.7
131.03491	1.1
137.02448	3.8
137.06029	1.8
139.04021	2.3
143.03537	3.0
147.06648	1.7
151.03964	1.0
152.01088	1.4
161.04527	4.6
167.03508	2.4
169.01414	4.7
179.05655	4.7
192.10275	0.9
195.06621	1.3
205.07178	1.1
211.00645	1.7
211.04298	1.1
221.11861	2.1
237.04433	6.2
239.05553	1.6
271.04614	1.9
298.03601	14.4
299.04462	5.0
299.11444	1.4
309.11896	6.2
401.18039	2.3
461.12231	15.4
462.13199	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	9.1
60.46205	1.0
61.98835	8.1
63.74159	0.8
63.91724	0.8
69.13559	7.1
71.01376	5.6
73.02947	2.7
74.99091	2.6
75.00870	3.2
78.30909	0.9
85.02954	3.0
87.00910	1.6
89.02447	3.4
93.03470	2.3
99.00933	1.1
101.02439	4.6
102.98611	1.6
108.02248	1.4
109.02947	2.4
110.03303	1.1
111.00854	3.0
113.02454	1.9
120.99668	26.9
121.03000	2.0
124.01666	1.3
124.96126	1.0
125.02447	1.5
135.04608	1.2
136.99147	1.6
137.02470	5.6
143.03491	1.1
153.01962	3.1
154.02333	1.1
161.02403	6.1
161.04594	2.0
163.04057	2.2
164.04832	3.6
170.93925	0.9
177.05592	0.9
179.02049	1.1
179.03490	4.7
179.07137	7.2
179.98878	71.5
180.99649	37.6
193.08762	5.2
194.00485	2.1
195.01212	100.0
196.01959	21.1
209.02834	2.7
210.03557	60.0
211.04337	24.1
221.11827	1.3
233.10011	1.0
237.23366	1.0
281.09097	1.2
297.00546	1.3
299.05927	18.2
300.06174	1.5
307.10388	1.2
324.36649	1.2
329.16302	1.0
343.04861	10.2
358.07242	1.6
373.09622	87.9
374.10056	7.1
461.11035	18.5
461.20612	2.7
462.11447	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	461.1458
Annotation	Cyrtopterin
Peak:m/z	Relative Intensity
52.37530	0.6
54.32557	0.5
59.01280	2.4
59.01598	0.9
64.36984	0.5
64.83798	0.5
69.20861	1.5
69.21281	2.1
71.01256	1.7
71.01625	0.7
74.03625	0.5
79.01783	9.7
79.02276	0.9
80.01195	0.4
82.46815	0.5
85.02856	1.5
89.02355	1.0
91.05517	3.2
93.03352	4.6
95.04968	0.6
101.02363	0.8
109.06476	0.6
111.04527	5.3
113.02357	1.4
119.05032	30.7
119.05819	1.6
120.05254	1.0
121.02885	0.9
121.06544	0.5
123.04367	0.6
125.02407	0.5
135.04530	16.1
136.05092	0.6
139.07576	0.8
145.02837	1.4
150.03065	1.5
151.04021	2.5
153.05466	0.9
163.03981	0.8
164.04671	1.8
167.10670	1.0
178.02553	1.0
179.03506	35.9
180.03760	1.2
183.06638	3.1
191.06873	0.6
192.04176	1.7
193.05064	3.6
197.04459	1.2
205.05078	5.0
206.05109	0.6
224.03116	0.8
238.06427	0.5
257.08118	0.6
284.03348	1.2
298.04898	1.2
299.09241	100.0
300.09589	8.5
338.34668	0.5
349.20288	1.4
401.23672	0.8
402.24066	0.6
418.25433	0.7
443.24615	1.9
461.14789	21.5
461.24924	7.2
462.15439	2.7
462.25922	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.146
Annotation	Methylnissolin 3-O-glucoside
Peak:m/z	Relative Intensity
59.01378	2.7
60.99317	3.1
71.01376	1.5
71.29070	0.6
84.33559	0.5
85.02962	0.5
88.98811	16.2
89.02452	1.4
96.86791	0.4
121.02948	1.2
134.03723	2.9
136.01718	0.6
137.02460	4.4
149.02464	2.3
150.03206	1.4
161.02440	0.9
162.03238	6.6
163.03984	1.6
165.01865	0.9
175.03947	0.8
176.04832	2.8
182.02264	1.0
213.05595	1.3
225.11330	0.5
227.07129	0.6
239.07193	1.2
241.05099	8.5
242.05482	0.8
255.06569	1.4
256.03729	0.6
256.07443	0.6
265.05029	1.6
266.05835	2.3
267.06555	3.1
268.07117	0.7
269.04556	15.7
270.05063	1.0
271.02390	1.2
283.06171	10.6
283.09106	0.7
284.03464	2.2
284.06900	31.0
285.04196	1.0
285.07297	2.5
295.13950	0.6
298.04831	7.0
298.08224	0.9
298.11783	0.6
299.02005	2.5
299.05814	6.4
299.09232	100.0
299.99048	0.6
300.02402	0.7
300.09564	8.0
314.04376	1.0
315.05237	0.7
461.10025	3.4
461.15427	18.5
461.24780	1.1
462.15506	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	461.1609
Annotation	Euchrenone b3
Peak:m/z	Relative Intensity
57.03436	3.2
59.01363	1.8
63.65614	0.9
65.03149	1.0
69.34612	3.2
69.35009	2.2
85.02936	1.7
85.06594	9.2
87.04518	3.3
95.01381	10.4
95.05039	1.8
97.06561	1.0
99.45926	0.9
109.02937	3.5
109.06582	8.7
111.04523	13.2
111.08160	1.0
113.02464	3.7
113.06071	1.0
113.09737	7.0
121.02960	2.1
121.06609	1.8
123.08121	0.9
125.06065	4.9
134.03764	1.7
135.04536	2.2
135.08194	1.7
137.02475	6.8
137.06067	3.6
138.03230	3.2
139.07640	1.9
141.05579	3.0
145.02899	1.4
148.05334	0.9
150.20976	0.8
153.05565	9.2
159.04474	1.3
162.03236	2.8
163.04024	3.2
163.07642	2.4
163.11292	3.1
165.05554	4.1
166.06308	3.0
172.21785	1.0
175.04024	1.7
176.04741	2.2
177.05614	1.8
177.09253	1.2
179.07111	5.5
181.05191	6.6
181.08714	54.8
182.02176	5.0
182.09006	1.9
183.06621	8.9
187.04073	1.2
192.07816	1.2
193.05151	1.3
196.03749	1.7
197.04515	2.5
198.19658	1.0
199.13380	1.2
201.05594	1.9
207.06653	13.6
208.07353	2.2
209.08153	3.6
221.08153	2.7
223.09811	1.7
225.07687	55.2
226.07967	2.6
237.11304	1.8
239.07181	1.3
253.05333	1.3
265.05011	1.6
266.05795	1.4
267.06769	4.5
279.06735	1.2
279.12393	15.2
280.12607	1.4
281.08212	5.0
282.05298	1.5
282.08899	2.1
283.05994	1.0
291.12329	1.8
293.08218	2.1
294.05359	1.3
307.06052	2.5
308.06662	1.7
309.07678	5.4
310.08282	1.5
321.07706	2.2
322.08511	3.5
323.09210	3.8
337.10898	3.8
355.12006	1.6
373.20197	3.0
399.29129	1.3
403.11819	2.4
413.10043	1.4
417.19278	2.5
431.11313	11.6
443.20609	3.5
445.13016	4.1
446.13730	6.7
461.16083	100.0
461.25671	9.5
461.34772	8.9
462.16534	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	461.1668
Annotation	Forsythoside E
Peak:m/z	Relative Intensity
55.01884	2.4
57.03440	2.4
58.00603	3.9
59.01382	92.2
68.99515	12.4
71.01388	68.4
72.99312	2.6
73.02946	12.7
83.01405	5.4
85.02960	17.6
87.00877	6.0
89.02451	69.9
90.02820	1.4
93.03465	1.7
95.01415	4.8
97.02983	1.3
99.00890	2.8
101.02448	49.4
113.02457	27.3
113.03185	2.4
119.03521	32.9
119.05027	21.1
123.04536	4.1
125.02478	3.1
131.03468	6.5
137.02441	3.7
137.06079	1.7
139.07726	2.9
143.03513	6.0
149.04591	1.9
153.05571	5.2
159.03049	1.7
161.04555	17.0
168.07956	1.5
177.30209	1.2
179.03847	1.8
179.05611	30.9
221.06648	13.8
239.05525	2.1
239.12953	2.3
299.08218	2.5
299.11371	22.9
302.27542	1.3
334.34964	1.5
337.62674	1.5
358.71442	1.5
401.18555	4.3
417.21893	1.4
461.16751	100.0
462.17081	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96296	0.7
53.00639	0.8
55.01869	1.3
57.03434	1.5
58.00591	3.2
59.01381	74.7
59.98514	2.0
61.98838	1.1
67.28160	0.8
68.99827	1.0
69.03471	6.3
71.01387	78.9
72.01736	0.7
72.99303	2.8
73.02950	8.6
75.00890	1.1
79.01879	1.0
81.03470	5.7
83.01385	5.1
85.02959	13.1
87.00891	4.4
89.02451	91.3
90.89302	0.7
93.03492	1.3
95.01401	2.5
97.02963	8.2
99.00871	2.8
99.04532	2.2
101.02441	18.1
103.04021	1.7
109.02940	2.2
111.00886	1.2
113.02451	12.4
119.03521	4.9
121.02972	1.3
125.02453	30.0
126.18810	0.9
131.03505	17.6
133.02956	2.0
135.04562	1.4
137.02477	1.2
139.04019	2.2
139.11304	2.5
143.03540	4.2
149.04558	20.5
161.02417	3.7
161.04590	2.5
163.00354	1.7
163.06131	2.4
164.04750	1.3
167.10783	100.0
168.11143	4.4
168.12357	0.7
175.00490	1.0
179.03542	0.9
181.12306	1.3
183.06638	1.4
183.10283	2.4
191.05618	8.4
205.07146	2.8
211.13452	1.9
233.06664	6.1
241.05139	2.0
255.06668	0.9
256.07303	4.3
271.09750	11.1
272.10031	1.5
285.04047	2.5
293.08801	15.1
299.05652	1.8
299.09265	1.6
313.03586	5.7
380.08405	3.2
380.58450	1.9
399.29239	0.9
443.23050	1.1
461.14481	1.9
461.24356	17.6
489.06815	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	461.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12708	1.2
58.00597	2.8
59.01383	59.7
69.03448	3.8
69.06574	10.1
69.06982	3.3
71.01384	51.8
72.99300	3.4
73.02945	12.6
73.69366	1.4
75.00888	3.7
75.32549	1.4
79.28988	1.5
81.03456	1.6
82.45188	1.2
83.01394	4.3
85.02961	6.3
86.42139	1.4
87.00883	2.1
89.02448	74.3
90.02734	1.4
97.02951	10.0
99.00877	15.8
99.04533	2.8
101.02445	23.6
113.02473	4.6
115.04041	4.4
116.99854	1.5
119.03528	2.1
123.00951	1.5
125.01658	2.1
125.02473	22.4
125.84221	1.4
131.03532	8.6
139.11368	2.3
143.03497	3.4
149.02554	1.8
149.04568	19.7
161.04611	2.5
164.04874	1.7
167.10808	11.7
191.05597	6.1
191.10692	2.0
233.06642	11.1
255.02975	6.9
256.03754	2.6
265.81390	1.8
283.02567	1.9
284.03271	58.1
285.03717	4.5
293.08777	16.6
298.04865	3.3
299.05606	100.0
300.05954	6.2
305.14529	1.5
355.13321	1.3
421.72928	1.6
461.10840	20.4
461.25281	5.4
462.11093	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	461.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.9
58.00587	3.1
59.01383	100.0
60.01706	2.4
64.55136	0.9
69.03466	1.5
69.14581	7.9
71.01389	37.9
72.99302	2.2
73.02945	3.6
78.14811	1.0
83.01392	2.2
85.02950	9.1
87.00896	4.6
89.02454	54.7
90.02831	1.0
93.03488	1.8
95.01384	3.9
96.96004	2.0
97.02985	1.1
98.22516	2.4
99.00894	2.4
101.02449	24.2
103.04032	2.2
103.83650	1.1
108.02190	1.6
109.02970	1.8
111.00869	1.4
113.02466	18.5
119.03505	22.8
120.99704	1.3
121.02959	2.0
122.03793	1.5
123.00938	4.9
123.04559	1.6
125.02463	12.2
129.02013	1.2
129.05586	2.6
131.03532	3.4
137.02440	5.5
138.03239	1.8
139.04089	1.2
139.07697	4.4
140.01138	1.6
143.03479	4.9
147.04478	1.1
147.06627	1.8
147.92142	1.0
149.04475	1.9
149.99576	1.0
151.00420	1.5
152.01183	1.5
153.01962	2.8
161.04622	9.8
167.01738	4.5
167.03380	1.0
168.00659	3.7
168.07930	2.0
169.01462	5.5
179.05629	19.9
180.04332	1.2
182.05867	2.2
191.10797	3.1
211.02509	2.2
221.11798	2.0
239.09264	4.0
271.04642	2.2
275.01938	2.0
299.09161	2.7
301.00082	2.0
309.11960	8.7
373.05847	2.0
401.18167	13.3
402.18613	1.1
461.13013	14.4
461.17618	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	461.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	50.6
57.88828	1.0
59.01385	64.0
61.98823	3.4
63.96239	2.4
67.36148	0.9
69.03448	4.5
71.01389	8.0
71.05035	1.8
71.31761	1.1
74.99092	1.9
81.95319	1.1
85.02948	2.2
89.02471	10.5
92.46046	0.9
93.03464	1.6
96.96011	1.3
98.44226	1.3
101.02450	7.7
103.39915	1.1
104.73041	1.1
107.25236	1.0
109.02937	1.7
111.00882	1.3
113.02440	6.8
117.97331	8.8
119.03521	7.4
121.02975	1.2
123.08196	1.8
125.02455	4.5
125.09753	3.0
137.02448	2.5
137.09734	4.9
149.02434	2.6
150.03224	2.9
160.01649	1.4
164.04747	1.4
165.05562	2.6
166.05878	1.6
167.03514	1.6
167.06262	1.2
169.01399	1.9
175.48018	1.1
177.12869	1.5
179.05574	1.7
193.05110	1.3
195.13910	29.3
196.01917	1.4
196.14301	1.4
201.01851	1.5
202.02734	1.3
206.09544	2.7
211.04372	1.4
221.11845	37.3
221.14017	2.2
222.12218	1.5
238.59032	1.2
239.12903	100.0
240.13242	5.9
258.01572	2.0
259.02380	1.5
274.65100	1.1
287.02023	2.8
299.14609	1.4
314.00739	2.4
315.01410	6.7
412.99976	1.1
461.12057	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	461.2183
Annotation	Hydrocortisone succinate
Peak:m/z	Relative Intensity
59.01380	0.6
65.93021	0.6
83.01408	0.7
85.02955	1.6
85.06597	2.7
92.36856	0.5
95.01388	2.0
95.05017	0.9
106.74117	0.5
111.00956	0.7
111.04533	3.7
111.08165	0.6
113.02464	4.0
113.09726	1.9
129.53215	0.6
138.03255	1.1
139.00404	0.7
139.07652	1.2
163.07654	0.7
165.05574	2.6
166.06374	2.2
178.77299	0.6
179.07152	2.5
181.08722	15.7
182.09087	0.7
183.06641	13.0
207.06627	5.0
208.06966	0.7
210.05243	0.9
225.07693	100.0
226.08089	4.9
237.11333	2.1
279.12399	9.8
279.15280	0.9
280.12808	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83694	0.5
55.95070	0.5
57.03453	4.6
69.03460	1.2
70.40479	1.3
70.40812	0.6
73.08916	0.5
77.89604	0.5
78.95891	0.6
85.02943	3.4
85.06581	1.1
87.04533	0.6
89.94981	0.5
95.05020	0.8
109.06615	0.7
111.04532	3.8
113.02463	14.4
113.06081	0.6
113.09732	14.2
137.02496	0.6
137.06087	0.6
138.03241	17.0
139.07657	1.3
141.05573	0.8
152.99620	0.9
154.00175	0.6
163.07678	1.1
165.05573	1.4
166.06372	2.9
179.07126	1.2
181.08714	100.0
182.09053	4.5
183.06664	1.7
193.05077	0.7
207.06627	3.6
207.10442	0.7
220.11006	0.5
225.07692	42.5
226.08075	2.1
235.13379	0.8
237.11223	1.2
261.11368	0.6
279.12338	10.3
280.13007	0.8
286.87814	0.6
401.85718	0.5
417.30389	0.7
461.22034	1.0
461.29031	2.3
461.33914	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53158	0.4
55.01877	0.4
55.62202	0.4
58.30115	0.4
59.98260	0.4
66.53448	0.4
69.04866	3.7
70.03774	0.4
71.01406	0.4
71.05009	0.8
72.57507	0.3
79.01898	1.4
83.05032	0.5
85.06601	2.4
87.04504	1.3
95.05026	4.8
97.02963	2.0
97.06590	0.9
98.22601	0.7
109.02955	0.6
109.06602	1.6
111.04543	5.1
113.02462	0.9
113.06071	0.6
121.02944	1.1
121.06562	0.4
122.03739	0.7
123.08183	2.3
125.02457	0.6
125.06120	0.7
137.02469	0.7
139.04030	9.0
139.07625	0.5
141.05632	1.3
141.09218	0.6
147.08145	1.1
150.06900	0.6
153.09216	0.6
163.07690	1.3
165.01915	1.6
165.09221	21.4
166.09596	0.6
170.17268	0.4
179.07179	2.3
179.10770	1.5
181.08665	0.5
183.06657	1.2
191.07182	1.8
193.08701	0.5
195.06535	0.5
197.08205	11.6
198.08478	0.7
207.06612	0.8
207.34572	0.4
209.08205	100.0
210.08536	5.6
211.08743	0.5
219.13850	0.5
221.08195	1.3
223.09799	5.3
224.10078	0.5
225.05658	0.5
225.07716	5.1
225.63333	0.4
233.11890	0.6
235.09709	1.3
237.07700	1.7
239.09254	4.2
251.09485	2.1
251.12903	11.5
252.13295	0.6
263.12933	4.4
303.12442	1.3
305.13818	0.5
443.17172	1.1
461.17398	1.6
461.22916	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	461.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80145	0.5
57.03452	0.7
57.28956	0.5
63.43411	0.5
63.83170	0.5
65.00330	14.0
66.35375	0.5
69.45539	0.5
69.74390	1.0
69.74778	1.0
77.03963	1.6
79.01895	8.4
80.02236	0.7
80.78565	0.6
80.98785	0.5
83.16969	0.5
85.02968	0.6
85.06607	1.6
85.42322	0.6
95.01398	1.5
95.05035	0.7
97.02966	4.2
105.33284	0.5
105.82253	0.5
109.02975	0.6
109.06618	1.6
111.04520	2.3
113.09725	1.0
121.02966	26.3
139.04039	0.8
151.07578	0.5
153.05621	1.0
165.01944	100.0
165.09178	1.5
166.02284	4.6
169.05089	0.6
179.10814	1.0
181.08725	10.4
182.08995	0.6
183.02969	2.2
183.06732	0.7
183.10202	0.8
195.06516	0.7
205.05037	0.8
207.06783	1.1
208.07373	3.5
209.08200	4.4
210.08591	1.7
211.08804	0.9
219.06665	7.0
221.04556	3.0
221.11874	0.6
222.08528	0.5
223.06140	16.9
223.09798	1.6
224.06601	1.8
224.10143	1.1
225.07677	3.9
225.10208	1.0
237.11238	0.5
238.11603	0.6
248.73882	0.5
261.11478	0.7
277.10840	2.9
306.62338	0.5
340.10901	0.6
401.16083	13.3
401.21329	0.9
402.16467	1.2
461.26285	12.6
462.26111	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.3
59.01376	0.6
59.48741	0.5
62.83315	0.5
65.90979	0.5
69.14802	1.3
69.15207	2.1
85.02959	2.0
85.06606	2.2
87.04534	1.0
88.70620	0.6
95.01382	2.3
95.05032	1.4
107.72070	0.6
109.06621	1.0
111.04534	3.1
113.02445	4.1
113.09738	2.2
138.03207	1.2
139.00455	0.7
139.07674	1.8
165.05580	2.3
166.06392	2.7
176.46504	0.5
179.07173	2.2
181.08723	16.0
183.06613	12.7
193.41249	0.6
207.06639	5.5
210.05284	1.0
221.08203	0.9
225.07700	100.0
226.08041	5.8
237.11298	2.2
239.25153	0.6
278.93274	0.5
279.12421	9.6
280.12802	0.8
317.67712	0.6
371.03943	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2186
Annotation	Rouyolide E
Peak:m/z	Relative Intensity
59.01364	3.9
61.98822	2.5
66.96216	1.1
69.08274	9.5
71.01372	1.5
80.29057	1.5
83.84612	1.2
87.04498	1.3
123.00877	2.4
124.01672	16.4
125.02395	1.5
135.04567	1.3
137.02452	1.9
146.03735	3.9
149.02429	5.8
151.04005	1.6
156.79794	1.3
159.04521	2.2
161.02495	1.4
162.03239	2.8
163.04008	2.3
164.04843	7.0
168.00667	4.4
172.05351	2.2
174.06882	1.8
175.04004	8.5
177.05568	5.6
189.05580	2.9
189.62555	1.3
190.02628	1.6
190.06433	1.7
191.03555	1.6
191.07146	1.3
193.01514	5.9
201.05437	2.5
203.07271	2.3
257.15625	1.9
261.93402	1.3
275.19830	1.3
283.13358	2.6
287.12817	2.6
301.14505	14.3
302.14871	1.6
302.29810	1.6
305.13898	2.1
319.15506	5.0
329.13901	2.4
381.20770	4.1
399.21527	7.8
417.22644	17.2
417.30713	1.6
443.20837	1.9
461.21799	100.0
461.28549	10.1
462.22192	11.0
462.28476	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	461.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34911	0.7
55.01876	2.1
57.03439	2.0
57.66922	0.8
58.34005	0.8
59.01382	72.3
64.74164	0.8
65.13511	0.8
71.01384	22.2
72.99303	0.8
73.02950	7.7
77.42145	0.8
83.01392	3.3
85.02962	10.7
87.00896	2.7
89.02451	11.9
93.50617	0.7
95.01386	1.9
97.02963	1.6
99.00890	2.9
101.02445	16.7
105.64093	1.0
109.06584	1.7
113.02446	8.9
118.45006	0.7
119.03519	2.7
125.02432	1.2
133.02991	2.1
135.04562	1.9
137.02467	2.2
143.03540	2.0
145.05051	1.2
149.06058	0.9
159.03015	1.5
161.02510	1.8
161.04573	5.7
163.11324	1.2
168.00693	1.0
177.05592	1.6
179.03505	3.2
181.12332	1.4
183.10252	0.9
207.10281	6.4
221.04616	2.0
225.11349	4.0
239.16608	1.7
253.09264	1.6
270.98813	1.1
284.03323	4.5
285.04041	2.8
298.04898	1.7
299.05667	6.8
299.09311	2.5
299.14975	1.5
299.99048	6.6
300.06149	1.1
315.01523	8.0
401.21704	4.5
434.45547	1.0
443.22870	7.0
461.06955	2.6
461.24063	100.0
462.24371	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	461.2394
Annotation	Ligurobustoside A
Peak:m/z	Relative Intensity
52.34911	0.7
55.01876	2.1
57.03439	2.0
57.66922	0.8
58.34005	0.8
59.01382	72.3
64.74164	0.8
65.13511	0.8
71.01384	22.2
72.99303	0.8
73.02950	7.7
77.42145	0.8
83.01392	3.3
85.02962	10.7
87.00896	2.7
89.02451	11.9
93.50617	0.7
95.01386	1.9
97.02963	1.6
99.00890	2.9
101.02445	16.7
105.64093	1.0
109.06584	1.7
113.02446	8.9
118.45006	0.7
119.03519	2.7
125.02432	1.2
133.02991	2.1
135.04562	1.9
137.02467	2.2
143.03540	2.0
145.05051	1.2
149.06058	0.9
159.03015	1.5
161.02510	1.8
161.04573	5.7
163.11324	1.2
168.00693	1.0
177.05592	1.6
179.03505	3.2
181.12332	1.4
183.10252	0.9
207.10281	6.4
221.04616	2.0
225.11349	4.0
239.16608	1.7
253.09264	1.6
270.98813	1.1
284.03323	4.5
285.04041	2.8
298.04898	1.7
299.05667	6.8
299.09311	2.5
299.14975	1.5
299.99048	6.6
300.06149	1.1
315.01523	8.0
401.21704	4.5
434.45547	1.0
443.22870	7.0
461.06955	2.6
461.24063	100.0
462.24371	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	461.2397
Annotation	Ligurobustoside A
Peak:m/z	Relative Intensity
51.88605	1.2
57.03455	2.1
59.01384	85.0
60.01703	1.8
62.64085	1.1
71.01385	8.0
73.02937	3.4
78.95881	2.2
83.01365	3.0
85.02934	4.1
89.02446	3.5
93.87344	1.1
99.00858	2.0
101.02429	6.6
111.00929	1.3
113.02445	4.5
121.02960	1.5
131.00372	1.1
133.02965	4.2
137.09666	1.2
139.11299	16.2
152.99635	2.4
159.02998	1.3
161.04550	2.4
165.02052	1.3
165.09155	1.3
181.12357	7.1
183.06651	1.4
183.10277	21.2
207.10216	2.2
225.11298	5.7
235.11816	3.7
271.02371	5.3
284.03168	3.9
299.01971	4.7
299.05582	5.1
314.04291	4.7
315.05115	5.7
375.20920	1.3
408.13525	1.3
433.86932	1.3
443.22839	9.7
461.10669	4.2
461.23941	100.0
462.24304	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	461.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84973	0.4
55.01867	0.4
55.23606	0.4
56.94562	0.4
69.93835	0.9
69.94209	0.9
71.05002	1.5
79.01865	1.6
85.06587	2.3
87.04515	0.5
95.05025	4.5
97.02958	2.7
107.04968	0.6
109.06583	1.7
111.04536	2.6
111.21370	0.4
112.28764	0.5
121.02959	0.7
122.03678	0.4
123.08176	3.2
125.06083	1.1
139.04028	8.8
147.08220	1.0
159.07591	0.4
163.07666	0.7
165.01901	1.6
165.09225	19.5
166.09552	0.7
167.03441	0.6
179.10796	5.6
183.10266	1.2
191.07146	1.3
192.04338	4.5
193.08931	0.5
205.08846	0.6
207.06639	5.5
207.10191	0.5
208.07127	0.5
209.08202	100.0
210.08571	5.4
215.58441	0.4
223.09772	27.4
224.10126	1.2
225.07674	10.0
231.13966	0.7
248.06946	0.8
277.14459	12.3
277.17291	0.9
278.14828	0.9
279.12466	0.8
291.12448	1.2
319.11884	0.5
461.25616	23.2
462.26282	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	461.256
Annotation	Incisagenin
Peak:m/z	Relative Intensity
57.03459	1.0
59.01371	1.0
69.14725	3.6
71.01345	0.5
85.02952	1.9
85.03417	0.5
85.06590	3.9
87.04525	1.6
95.01386	0.8
95.05038	1.6
109.02967	0.5
109.06597	1.3
111.04548	2.9
111.08151	1.1
113.02450	1.4
113.06104	1.0
113.09741	0.5
121.02941	0.5
121.06545	0.6
122.03753	0.5
128.07648	0.4
135.08203	0.7
137.06076	0.7
137.09746	1.1
139.07645	1.1
149.06065	0.5
151.03938	0.5
155.07092	1.3
163.07684	0.6
163.11279	0.6
165.05585	1.4
177.01941	2.6
177.05502	0.6
178.06369	0.6
179.07121	1.2
181.05095	0.6
181.08701	2.0
183.06624	9.9
191.07166	0.6
192.07907	1.1
195.03110	0.6
195.06639	3.0
205.08609	0.6
207.06696	0.9
208.07539	2.6
208.09219	0.5
220.07361	0.9
221.08228	1.1
223.06152	1.7
225.07729	3.6
234.09048	0.7
273.15015	1.6
279.12427	1.0
311.58621	0.5
331.19247	1.3
343.19205	0.6
349.20258	4.1
370.49356	0.7
373.19879	0.8
383.22223	0.6
399.25531	0.5
401.23291	6.7
402.23608	1.0
415.25067	1.4
415.32013	0.8
416.32571	0.8
417.22394	0.6
417.27228	0.5
417.32797	6.7
419.24261	0.9
425.23462	0.5
443.24426	23.9
444.24597	3.3
446.22974	1.1
460.31512	1.7
461.25433	100.0
461.31845	24.8
462.25931	10.9
462.32077	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2566
Annotation	Incisagenin
Peak:m/z	Relative Intensity
57.03442	1.4
59.01379	0.5
69.23927	2.8
71.05007	0.6
75.85152	0.5
85.02967	1.4
85.06597	1.0
87.04521	4.0
95.05060	1.3
97.06622	1.2
99.00877	2.8
99.04491	0.5
107.04990	0.6
109.02962	1.4
109.06584	2.0
111.04532	10.8
112.04932	0.6
113.06081	1.0
121.06659	0.8
123.08114	1.0
125.02449	1.0
125.06129	2.9
126.84209	0.5
137.02501	0.9
141.05559	2.3
151.07664	0.6
153.01967	1.3
153.05632	0.7
153.09227	0.7
154.02734	0.7
161.09811	0.5
163.11317	2.5
165.01854	0.5
165.05577	0.5
165.09184	0.8
166.02821	1.1
167.09708	0.5
169.05072	21.2
170.05557	0.8
177.05577	0.6
177.09184	2.1
179.07132	1.4
180.00606	1.0
180.11081	0.6
181.01453	0.8
182.02281	2.4
183.13965	0.8
193.08687	1.1
195.06598	5.1
207.06638	1.5
208.07414	1.9
209.08208	4.5
210.08569	1.4
211.08867	0.9
221.08180	2.8
223.06128	3.7
223.09763	1.8
224.06900	19.3
224.10092	2.3
225.07608	4.4
225.10298	1.3
233.08257	1.1
233.15460	6.4
235.09804	0.5
236.10225	0.8
237.11212	0.8
238.11656	0.7
247.09807	1.5
261.11359	5.0
276.13754	0.9
277.14496	0.6
279.26791	0.8
323.25681	0.6
341.26953	0.9
429.22873	1.4
433.25995	0.8
461.25473	100.0
462.25861	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	461.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
67.66999	1.1
70.91292	1.1
71.27887	1.6
76.19807	1.1
78.16209	1.0
79.01875	1.9
85.06618	2.4
95.05041	5.7
97.02934	1.4
100.19122	1.0
109.06599	2.0
111.04527	2.1
123.08157	2.6
139.04027	10.3
165.02005	2.2
165.09200	18.3
177.98894	1.0
179.10796	13.0
182.39468	1.1
183.10185	1.5
192.51701	1.0
209.08202	100.0
210.08574	4.7
219.93869	1.1
223.09776	56.2
224.10136	3.3
228.92470	1.1
277.14474	15.8
379.01373	1.1
461.25613	33.2
461.32623	7.4
462.25748	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	461.2547
Annotation	Incisagenin
Peak:m/z	Relative Intensity
57.03441	1.8
59.01371	2.1
61.06520	0.6
65.19106	0.6
68.99825	1.1
69.16975	4.5
83.05023	0.7
85.02969	4.8
85.06590	4.1
87.04532	2.3
95.01388	1.2
95.05023	3.1
96.02201	1.1
97.02945	0.9
98.22490	0.8
109.02949	0.9
109.06593	2.5
111.04531	15.9
111.08160	3.2
113.02433	4.4
113.06102	2.0
113.09740	4.4
121.02993	0.7
122.03706	0.7
123.04594	1.0
124.05283	0.7
124.87592	0.5
135.08191	0.8
137.06082	6.2
137.09743	0.8
138.03224	1.5
139.04001	2.1
139.07674	4.2
141.01921	0.9
151.07594	0.9
155.07118	2.9
163.22063	0.5
164.38977	0.6
164.83618	0.5
165.05530	1.3
165.09238	1.3
166.06421	1.1
177.01982	1.8
177.05643	0.7
179.07156	1.2
181.05099	14.2
181.08707	24.4
182.02213	0.6
182.05411	0.6
182.09103	1.6
183.06625	18.0
191.07158	0.9
192.07932	0.8
193.08691	0.7
195.02965	0.6
195.06592	3.9
207.06622	2.2
209.08162	7.1
210.08591	0.7
211.06172	0.6
221.08240	0.8
223.06268	0.8
225.07686	13.3
226.08081	0.9
234.08952	0.8
235.09901	0.8
261.14923	0.7
273.15018	1.4
277.18127	0.9
279.12399	5.0
315.12497	2.7
331.19333	2.1
343.18884	0.6
347.02411	0.7
349.20322	4.4
363.95670	0.6
373.20209	9.4
374.20544	1.9
399.25653	0.6
401.23328	6.2
402.23990	1.1
415.25208	1.4
417.19073	5.6
417.32874	1.7
443.24417	14.5
444.24689	1.2
446.23270	0.8
461.25522	100.0
461.31360	5.3
462.26010	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	461.291
Annotation	Norquadrangularic acid A
Peak:m/z	Relative Intensity
51.33815	0.7
59.01142	0.8
59.01385	10.4
59.02449	0.8
60.99277	0.8
70.15058	1.9
77.99259	0.7
99.00924	0.9
109.02894	0.9
128.48950	0.7
300.12924	0.6
337.25357	1.3
339.27209	0.9
341.28452	11.6
342.28818	1.1
343.30255	1.5
353.28458	2.3
355.26358	1.4
355.46225	0.9
357.27963	3.0
361.30963	1.0
371.29651	3.6
372.30286	1.1
373.31067	7.3
381.28101	1.1
387.29303	1.1
399.24277	0.8
399.29010	10.2
400.29678	1.1
417.30185	17.8
418.30618	1.4
443.27631	1.4
461.29028	100.0
462.29297	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	461.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11424	1.1
70.86382	2.2
105.17397	1.0
123.08150	1.6
142.78333	1.1
156.73402	1.0
163.32547	0.9
212.23807	0.9
225.07678	1.7
290.22116	1.1
367.22818	2.1
383.25919	15.5
384.26132	1.9
399.29041	30.1
400.29227	2.4
417.30014	9.6
443.27902	8.4
461.29007	100.0
461.34915	5.7
462.29382	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	461.2912
Annotation	Verbacine
Peak:m/z	Relative Intensity
57.03442	0.8
59.01382	2.9
65.50954	0.4
67.01879	0.8
68.99804	2.0
71.01398	0.6
73.02939	0.5
81.03451	0.7
83.05015	1.7
84.05369	0.6
85.02946	1.4
85.97066	0.4
87.04522	0.9
89.02438	0.5
93.03417	0.6
95.01366	0.5
95.05023	0.6
97.02967	1.1
97.06563	0.5
99.04512	0.4
101.02429	1.4
101.06094	0.5
108.02140	0.5
109.02974	0.9
109.06593	2.3
111.04528	18.2
111.08169	0.4
113.02424	1.0
113.06076	1.0
113.09709	2.1
119.05061	0.5
121.02955	1.4
125.06099	0.8
135.04541	0.8
135.08133	0.5
137.02483	0.4
137.06085	9.6
138.03203	0.5
155.07190	0.5
163.07631	0.4
163.11293	1.8
165.05547	0.9
166.06308	0.7
179.07114	1.2
179.10715	0.4
181.05089	11.1
181.08704	15.5
181.12221	0.7
182.05351	0.5
183.06631	2.1
189.10275	0.5
195.06516	0.4
197.08099	0.7
203.07219	0.4
207.06624	3.2
207.10275	8.6
209.08102	1.2
211.24756	0.5
221.08130	1.0
225.07715	7.9
225.11255	6.4
226.11673	0.5
231.10147	1.2
246.12585	0.6
253.09244	1.4
261.14932	2.1
279.12436	0.9
285.07541	0.9
287.12988	0.8
315.12399	4.3
329.24945	0.6
330.14645	1.1
341.28445	2.0
346.70520	0.4
353.28549	3.7
357.27945	1.2
359.26093	0.5
369.28140	0.8
371.29654	2.1
373.20212	16.4
373.30914	2.7
374.20551	1.7
377.15945	0.6
387.29099	1.8
399.24817	4.6
399.29202	1.5
400.25497	0.5
417.19144	7.7
417.30142	41.3
418.19223	1.3
418.30493	4.6
431.11243	1.4
431.31793	0.5
443.28210	0.7
443.53403	0.4
446.13486	1.3
461.15802	3.4
461.20834	3.6
461.29056	100.0
462.15997	0.6
462.29443	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	461.2912
Annotation	Norquadrangularic acid A
Peak:m/z	Relative Intensity
54.91218	0.9
59.01382	10.0
69.10097	0.8
70.92380	1.4
71.73540	0.9
85.06613	1.3
87.04543	1.2
87.15574	1.0
95.01441	0.9
95.16364	0.9
97.17702	1.0
99.00851	1.2
111.04533	3.9
121.06622	1.4
143.91721	1.0
163.11311	3.3
177.09235	2.2
179.07127	1.6
181.08720	8.7
183.06593	1.3
207.06685	3.8
209.08183	1.4
221.08252	1.7
225.07780	10.1
225.11325	1.2
239.16591	0.9
279.12598	1.6
333.28714	0.9
337.25467	2.5
341.28394	9.9
342.29001	2.2
353.28513	3.0
355.26556	1.7
357.28104	3.2
371.29639	3.8
373.31256	7.3
399.29016	10.4
400.29550	1.8
417.30069	20.1
418.30457	1.9
446.73053	0.9
461.29233	100.0
462.29608	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	461.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	3.0
59.01389	3.9
60.99313	5.3
67.05501	0.7
68.99810	1.4
69.03470	1.1
69.07345	2.9
69.07754	1.9
76.26680	0.6
83.05035	1.4
83.80130	0.7
85.02956	2.1
85.06589	17.7
85.48403	0.7
87.04501	4.7
93.03469	1.2
95.01398	19.1
95.05016	4.0
109.02982	1.9
109.06610	3.0
111.00902	0.7
111.04537	14.4
111.08180	1.3
112.04868	1.2
113.02451	5.0
113.06059	0.8
113.09743	8.3
121.06612	1.1
125.06100	2.0
135.08173	3.2
137.02438	2.1
137.06058	4.0
138.03195	3.3
139.07651	1.7
153.05586	2.0
155.07190	0.7
163.07663	3.6
164.01186	1.2
165.05560	6.0
166.06374	4.2
167.07181	1.0
179.07155	9.8
181.05199	5.2
181.08716	51.2
182.09024	1.7
183.06628	12.1
193.05147	0.9
195.06596	1.2
197.04482	0.9
207.06645	20.3
208.06995	1.6
209.08217	2.9
221.08246	2.5
225.07695	88.9
226.07993	3.4
235.13368	1.3
237.11333	2.4
279.12396	19.3
280.12823	1.0
287.16623	1.4
291.12363	1.4
315.12488	2.1
331.15775	0.9
341.28470	1.5
359.29541	1.7
369.27969	6.6
370.28250	0.9
371.29556	24.5
371.92438	0.8
372.30017	2.6
373.20279	5.9
399.29196	2.0
401.19507	2.9
417.19284	2.7
417.29385	0.9
431.11298	0.9
433.29596	100.0
434.29993	10.4
443.20801	8.0
461.16025	5.1
461.21973	7.0
461.29031	37.3
462.22653	1.1
462.29501	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	461.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	1.5
65.04099	1.0
69.08378	6.0
69.08790	2.8
118.48411	1.1
123.08147	2.4
132.26830	1.1
152.82025	1.4
209.08087	2.0
233.88484	1.2
242.37222	1.3
253.64336	1.4
293.24939	1.7
367.22665	4.0
383.21371	1.4
383.25900	17.9
384.26447	1.3
399.29062	34.6
400.29169	2.7
417.30215	9.1
443.27893	7.2
453.51596	1.3
461.28949	100.0
462.29260	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	461.2912
Annotation	Verbacine
Peak:m/z	Relative Intensity
55.56548	0.3
55.83496	0.3
57.03432	0.4
57.19359	0.4
57.41631	0.3
59.01364	0.6
61.98831	0.5
63.92647	0.4
69.03473	0.5
69.47048	1.6
71.01362	0.4
71.05022	0.7
72.99258	0.4
74.52663	0.3
78.95908	1.4
85.02938	0.4
96.96039	0.6
97.06573	0.5
98.22498	0.6
99.92530	0.4
109.62024	0.5
116.92904	0.6
152.99615	2.0
189.92757	0.4
253.44768	0.4
330.17087	0.4
337.25305	0.9
341.28543	2.0
353.28510	4.0
354.28906	0.5
369.28040	0.5
371.29575	1.5
373.31146	7.8
374.31610	0.5
399.29276	2.0
417.30148	36.6
418.30478	4.2
461.29108	100.0
462.29385	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	461.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88312	1.4
55.72713	1.0
57.03460	2.8
61.40527	1.1
64.13480	1.1
69.03461	5.7
71.05035	1.7
71.19678	1.5
81.89222	1.4
87.04517	39.4
95.46747	1.1
101.82755	1.1
104.94648	1.3
123.08212	1.9
126.70203	1.2
135.08148	5.4
139.07712	1.2
139.11386	1.8
146.00378	1.2
169.08710	89.0
170.09103	3.7
259.17084	2.0
268.64719	1.2
275.20175	59.7
276.20551	5.7
291.23309	29.0
293.25037	1.2
296.35361	1.4
349.32907	1.3
395.20782	1.4
399.29239	2.1
417.29965	2.6
425.73480	1.4
461.33038	100.0
462.33435	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	461.3641
Annotation	Irisoquin F
Peak:m/z	Relative Intensity
54.98130	0.4
55.88009	0.4
60.99304	1.9
69.74223	1.6
75.77026	0.4
84.29128	0.5
87.16892	0.4
96.60715	0.4
98.22442	0.7
116.72221	0.5
132.87791	0.4
343.30112	1.3
345.31680	1.1
399.36362	3.0
443.35330	3.4
461.36420	100.0
462.36755	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	461.3642
Annotation	Stigmast-5-ene 3beta,4beta,7alpha,22alpha-tetraol
Peak:m/z	Relative Intensity
55.61159	2.3
60.99295	3.9
71.07879	2.2
72.51775	2.0
83.05003	2.1
84.63715	2.2
93.21305	2.2
101.12810	2.2
107.05048	4.0
109.02971	4.6
109.06588	4.5
112.79631	2.1
115.96804	2.2
118.41609	2.3
126.87714	2.2
159.51334	2.5
196.46088	2.6
265.45453	2.2
343.29907	13.0
345.31665	6.9
399.36395	8.4
405.34012	3.2
425.34308	4.0
443.35291	66.4
444.35754	6.8
461.36462	100.0
462.36868	8.7
466.04147	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	462.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	2.5
59.01388	1.6
59.68716	1.0
61.98834	100.0
70.40553	1.4
70.40889	1.4
85.02961	1.4
85.06607	1.9
87.04530	1.4
95.01399	1.5
109.06609	2.3
111.04538	3.7
112.04888	1.0
113.09716	2.2
125.02428	1.2
134.03789	1.3
141.05643	1.5
150.62479	0.9
153.05617	2.1
179.07211	1.0
181.05188	1.6
181.08751	14.2
182.02191	0.9
182.09067	6.3
183.06636	3.0
184.06961	1.1
184.10709	0.9
195.06584	1.0
198.35733	1.1
207.06665	2.2
208.06964	1.7
209.08139	1.4
210.08559	1.1
215.48827	0.9
221.08116	1.1
225.07678	10.0
226.08063	6.2
279.09625	1.2
279.12549	2.6
280.12817	2.7
345.28033	2.4
351.09280	1.1
365.21854	1.0
374.20328	1.4
383.29581	2.1
445.29202	1.2
462.25577	1.3
462.32910	4.0
463.23633	2.9
463.30621	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	463.0522
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	1.4
61.98807	0.8
65.30135	0.5
69.32504	2.7
71.01400	0.7
75.12587	0.5
85.68433	0.5
86.66644	0.5
92.09045	0.6
101.02431	0.6
132.02196	1.0
132.95493	0.5
141.81213	0.4
143.75369	0.5
145.02882	0.5
147.00821	0.5
150.22276	0.5
160.01704	0.5
161.04771	2.3
172.01636	2.1
173.02350	0.7
175.23824	0.4
185.02411	1.2
188.01180	0.7
193.03825	1.1
200.01143	3.0
201.02013	1.0
216.00620	3.5
228.00604	2.1
229.01381	2.7
242.99353	1.3
244.00113	3.9
245.00775	0.5
257.00931	1.3
270.98914	1.0
271.99478	2.2
282.98840	1.4
283.10934	5.4
283.99606	1.7
298.98547	1.0
299.99121	100.0
300.99872	76.7
302.00180	3.7
343.01263	0.5
389.04553	0.5
408.16940	0.5
463.05222	74.8
464.05557	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	463.0523
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	9.2
61.98840	0.6
69.03474	0.9
69.19179	4.7
71.01360	2.6
71.05015	2.9
79.83172	0.6
89.02453	3.3
98.22491	1.4
101.02451	1.3
113.02474	0.9
119.03519	1.2
124.01620	0.7
150.03242	0.9
150.49287	0.6
157.02960	0.6
171.04482	0.7
172.01729	0.9
179.05595	0.8
193.05107	0.8
199.04065	1.1
200.01132	1.5
213.01997	1.8
214.02649	0.7
215.03494	1.0
216.00661	1.3
228.00627	0.9
229.01321	1.6
230.02243	1.0
241.01483	2.0
241.10678	0.9
241.14452	6.7
243.03011	1.4
244.00136	2.2
257.00903	2.9
258.01651	1.1
259.02551	1.5
269.00842	1.1
271.02478	1.6
271.99707	0.9
285.00391	6.3
286.01044	1.9
287.02097	0.7
297.00372	3.5
298.01205	1.3
298.98343	0.8
299.01797	0.7
299.99127	54.8
300.99838	18.4
302.00241	1.5
312.99918	25.3
314.00662	20.7
315.01465	41.2
316.01840	3.0
317.02979	1.2
324.99777	3.4
327.01221	1.8
328.99237	1.0
331.00940	2.8
340.99664	0.9
343.00961	26.6
344.01102	0.8
355.00876	4.5
367.00812	3.8
373.02002	35.0
374.02420	2.1
385.02014	2.2
403.02933	2.1
427.03055	1.3
445.04047	3.8
463.05170	100.0
464.05481	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	463.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28445	1.0
55.90347	0.8
56.55523	0.9
61.57804	0.9
65.00307	1.3
69.22672	6.0
72.48317	0.9
79.95741	1.3
90.09563	0.9
99.90733	0.8
107.01431	1.6
112.11232	0.9
123.00891	0.9
124.01674	2.7
125.02490	1.1
137.02425	4.6
151.00389	8.1
163.00417	2.2
164.01231	1.6
178.99876	9.7
185.99524	1.0
214.02740	7.4
215.03442	1.8
227.03468	1.6
236.97981	1.6
242.02335	5.2
243.02930	4.4
255.03062	1.6
259.02493	7.5
270.01797	7.1
271.02493	41.8
272.02917	3.0
287.02020	25.0
288.02524	3.0
299.01944	1.1
299.99225	2.5
300.02869	3.7
301.00159	1.4
301.03619	3.0
316.02258	100.0
317.02969	26.0
317.06293	0.7
318.03479	1.3
463.08929	69.6
464.09265	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	463.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79137	0.5
59.01324	1.2
65.00287	0.9
69.15555	2.8
71.01339	0.7
73.15422	0.4
83.01380	0.5
85.02921	0.5
92.27077	0.6
98.60214	0.4
101.02444	0.5
107.01343	1.9
120.03066	0.5
121.02917	0.5
125.02400	0.8
135.04395	0.4
137.02359	0.8
148.01604	1.2
149.02434	8.7
150.99419	0.5
151.00385	5.6
159.04419	0.5
161.02411	0.4
161.04576	0.5
172.92059	0.4
177.01906	0.7
183.04486	0.5
187.03879	0.5
191.03447	1.9
201.05475	0.4
213.05444	0.6
214.02676	0.6
215.03520	1.9
227.03558	1.3
229.01610	0.5
233.04506	0.9
239.03458	1.3
243.02965	1.6
255.02925	1.7
257.04144	0.7
259.02411	0.9
263.12851	0.8
271.02499	3.1
272.03278	9.9
273.03842	0.8
287.01941	0.9
299.01910	0.6
299.99319	3.5
300.02753	42.7
301.03537	100.0
302.03888	6.7
314.97672	0.6
315.01349	0.5
315.98776	0.8
316.02188	4.4
317.02908	0.7
330.00125	0.6
331.00519	0.5
425.20038	0.5
463.08963	77.5
464.09326	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	463.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	2.5
59.01382	13.0
61.65932	0.9
61.98798	1.9
67.01893	1.0
70.07327	2.0
71.01385	15.7
72.99293	2.6
73.02966	1.9
75.00866	2.1
83.01392	2.6
85.02948	2.9
87.00882	27.0
89.02416	1.7
97.02961	1.1
99.00898	1.1
101.02448	1.7
107.38709	0.8
109.02986	2.6
112.98793	1.5
113.02489	0.9
115.00381	46.3
115.03982	1.4
120.99663	4.8
121.02963	1.4
123.04536	1.1
125.02458	21.3
135.02129	0.9
135.03015	5.9
137.02454	7.2
139.04015	1.3
141.05554	1.4
149.02463	4.2
151.00362	1.7
151.04008	2.2
152.04793	3.2
161.02454	3.2
161.04581	1.1
163.00404	1.0
164.01161	2.3
165.01923	3.2
167.03490	1.3
167.07130	2.3
169.01381	2.5
175.02492	100.0
176.02824	2.8
177.01909	6.0
178.02687	1.9
179.03439	2.1
186.50003	1.0
193.01555	1.1
198.34612	0.9
201.02068	2.2
202.99846	4.0
204.00595	2.7
205.01398	1.4
209.08153	2.5
212.06924	4.5
213.02174	1.5
213.05727	1.3
227.09238	10.4
241.05022	1.4
243.79552	1.1
245.08211	1.0
283.06210	1.8
287.05774	2.1
289.07330	4.9
299.99103	4.7
300.99802	2.8
327.05151	12.3
345.06213	1.7
355.04483	1.1
463.04285	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	463.0889
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
57.03432	2.9
59.01378	27.9
59.09180	1.3
60.46936	1.3
61.98823	4.3
65.00318	2.1
69.03459	3.0
69.18130	3.2
69.18533	8.0
71.01385	28.0
71.05011	7.3
72.99301	1.7
73.02947	13.7
79.95763	1.6
81.72852	1.3
83.01388	7.5
85.02955	11.6
87.00864	1.8
89.02450	11.1
93.03456	2.0
93.88644	1.3
95.01394	2.9
99.00890	6.7
101.02448	24.3
109.02966	4.2
110.00103	15.0
111.00884	8.0
113.02442	12.3
113.34958	1.3
119.03547	3.1
121.03023	3.4
123.00900	4.7
125.02424	4.4
131.03546	1.6
132.02246	1.6
136.98999	2.3
137.02426	2.3
137.99599	5.7
139.00377	23.7
139.04059	1.8
146.03726	1.4
146.83862	1.3
148.01559	1.4
149.02432	4.0
149.26361	1.6
150.03180	2.2
151.00363	5.9
152.01198	1.6
159.03049	2.1
159.04480	2.5
161.02458	1.5
161.04567	16.2
165.99081	15.9
166.99854	12.3
172.01642	1.7
173.02437	1.5
177.01961	1.6
178.79585	1.4
178.99850	9.1
183.04494	1.9
187.03938	1.6
194.99364	5.8
198.03278	3.4
199.03983	5.1
201.02029	1.6
203.03609	2.7
206.99364	4.3
208.00148	2.0
215.03496	3.3
216.04172	2.1
217.01308	1.6
226.02740	2.0
227.03510	5.5
229.01335	1.4
233.06694	1.8
241.14490	13.0
242.02216	4.9
243.02925	11.4
245.04445	1.9
255.03009	3.4
257.00909	1.7
259.02417	3.0
270.01654	7.6
271.02481	31.6
272.03183	6.9
278.20505	1.5
285.00366	3.2
287.01987	29.1
288.02441	4.1
299.02002	4.6
299.99115	57.0
300.02747	41.3
300.99866	38.2
301.03500	32.1
302.00354	2.8
312.99857	6.4
314.00784	7.8
315.01437	14.4
316.02237	87.0
317.03003	78.8
318.03235	3.4
324.99905	2.7
331.17642	20.6
343.00958	6.0
355.00732	1.4
367.00797	2.4
373.01855	8.9
463.04092	19.8
463.08722	100.0
463.21860	54.8
464.09973	10.6
464.22406	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	463.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23811	0.4
59.01390	3.8
61.98826	0.5
63.02390	3.6
65.00320	6.6
71.01358	0.8
74.99094	0.5
83.00920	0.7
83.01384	5.0
93.03441	1.3
95.01382	0.4
96.96004	0.8
98.95617	0.5
107.01397	13.9
108.80788	0.3
109.02964	0.9
109.36328	0.4
111.00861	0.4
121.02966	10.2
123.00919	0.7
124.01693	0.7
125.02468	0.9
125.82054	0.5
135.04527	1.3
137.02434	1.1
139.03996	0.5
149.02473	1.7
151.00378	51.9
152.00754	1.5
159.04549	0.5
161.02457	0.9
163.00381	0.8
163.03998	0.6
164.01198	0.7
165.02002	1.2
169.01445	2.3
177.02054	0.4
177.05649	0.5
178.99866	23.3
180.00185	1.0
181.08717	0.7
183.04581	0.4
187.04056	0.6
189.21277	0.4
192.00764	0.6
193.01411	0.9
211.03992	0.5
215.03503	0.5
227.03523	0.8
229.05019	0.7
239.03526	0.5
243.02983	0.6
245.04607	1.4
255.03035	0.7
257.04617	1.2
271.02524	1.5
273.04068	2.6
281.06671	0.9
287.02124	0.4
297.15292	0.8
299.99176	3.9
300.02841	2.7
301.03531	100.0
302.00507	0.5
302.03879	5.9
315.16226	0.6
316.02170	1.3
357.17661	0.6
375.18713	1.1
463.09045	23.4
463.19437	5.0
463.25586	0.6
464.09390	2.3
464.20621	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1249
Annotation	5,7,3',4'-Tetrahydroxy-6-C-methylflavanone 7-O-glucosdie
Peak:m/z	Relative Intensity
57.03452	4.4
59.01386	45.6
62.54837	1.7
71.01386	22.3
71.05024	9.3
72.99294	3.6
73.02957	4.2
74.99098	3.0
77.03981	2.6
79.01915	2.9
80.91698	2.7
83.01411	4.7
84.15921	1.9
85.02964	4.6
87.00887	5.1
89.02453	24.2
89.02989	3.3
89.65367	2.2
93.03465	6.0
95.05046	4.8
97.02956	8.2
100.33885	2.3
101.02432	10.3
107.05064	2.2
108.02196	7.6
109.02966	7.5
111.04577	2.2
113.02444	9.2
119.03509	7.5
119.04943	2.5
120.99681	2.8
121.02965	11.8
123.04493	5.1
125.02464	2.9
126.98786	1.8
131.03526	2.6
132.37111	1.9
133.02982	5.0
135.04558	6.1
136.99179	3.9
137.02451	4.6
138.03146	2.4
139.04027	39.6
139.11302	2.8
147.04561	2.2
149.04565	3.6
151.03979	4.7
152.01222	4.3
153.01924	4.7
157.92365	2.0
161.04559	6.6
163.04041	3.7
165.01930	23.2
166.02715	3.0
167.03453	5.1
173.06099	2.2
177.05595	3.4
178.99883	3.3
179.05522	3.6
181.05096	2.9
183.10234	9.8
187.07663	3.0
189.01981	4.4
193.01431	22.3
215.07185	2.5
218.05923	2.8
227.12944	2.2
229.08717	12.4
233.08173	5.8
257.08243	6.4
261.07727	5.0
268.07468	2.0
269.08170	2.3
273.07693	100.0
274.08124	8.4
285.13577	3.6
297.07727	17.2
299.99164	5.7
300.02582	4.5
300.99878	6.6
301.03607	4.5
301.07178	53.8
301.10608	3.6
302.07471	3.4
315.08969	9.1
331.17694	2.1
343.04465	2.1
349.46646	2.5
375.16653	2.9
381.12033	5.7
435.13004	12.1
463.08615	2.8
463.13629	3.4
463.21616	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	463.1249
Annotation	3,5,7,4'-Tetrahydroxy-6-methylflavanone 7-glucoside
Peak:m/z	Relative Intensity
54.48536	0.6
55.01874	0.6
59.01390	3.3
61.54746	0.5
65.00330	4.4
69.61825	0.5
71.01379	1.5
77.03975	2.3
77.04385	0.5
79.01901	12.9
82.42812	0.6
85.02927	0.6
87.00870	0.8
89.02464	1.0
97.02951	2.5
101.02446	1.4
107.98717	0.5
109.02979	1.8
113.02445	0.8
117.23701	0.5
119.03512	0.6
121.02969	17.9
123.00940	0.7
123.04520	0.7
134.03790	0.7
135.04536	78.0
136.04854	2.5
137.02451	3.8
139.04022	5.5
161.02480	1.9
165.01941	100.0
166.02271	4.0
178.55482	0.6
179.03532	1.1
179.05585	0.8
183.03088	1.0
204.82144	0.5
221.08148	0.6
268.07306	1.2
271.02512	0.6
283.09650	0.7
297.09891	0.6
299.99222	0.9
300.02545	0.6
301.07196	84.2
302.07501	6.8
338.35492	0.5
417.24591	0.8
463.11951	12.7
464.12698	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	463.1251
Annotation	Caffeoylcalleryanin
Peak:m/z	Relative Intensity
52.12102	0.5
59.01334	4.3
63.02344	0.5
63.72337	0.6
66.15783	0.4
67.93921	0.4
68.11119	0.4
69.23785	2.8
71.01385	6.0
73.02958	2.4
83.01366	1.3
84.31496	0.5
85.02975	2.4
87.00842	0.5
89.02442	1.1
95.01376	0.8
97.02962	0.5
99.00867	1.0
101.02446	3.7
105.03425	1.0
107.01405	0.7
107.05037	0.5
108.02141	1.2
109.02929	0.8
113.02437	2.2
117.03445	1.2
121.02933	1.6
123.00903	2.7
123.04573	0.6
124.01675	19.2
125.02477	3.6
132.02179	1.9
133.02968	40.9
134.03682	1.8
135.04535	12.7
137.02441	1.0
139.04028	6.7
149.06059	0.5
151.00386	2.5
152.01134	0.7
153.01894	0.6
160.01723	0.6
161.02458	100.0
162.02794	3.7
163.00407	0.5
163.04077	0.4
165.01868	0.5
175.04065	1.5
177.05640	1.1
178.99883	0.8
179.03511	7.1
180.03835	0.5
181.05084	0.5
183.10291	1.5
209.11888	0.6
220.04053	0.4
221.04543	1.0
227.03439	0.5
243.03145	1.6
255.02972	4.1
271.02487	9.1
272.03030	1.5
297.11896	0.4
299.22653	0.5
300.02777	15.3
301.00165	0.9
301.03519	10.9
302.04050	0.8
304.58127	0.4
316.02832	0.4
323.07690	8.4
331.17749	2.9
337.09558	0.8
428.87045	0.5
463.12967	53.3
463.21854	4.4
464.13297	5.6
466.76724	0.5
480.15637	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76505	0.3
58.47454	0.3
58.97209	0.3
59.01380	3.2
69.22799	2.1
70.26543	0.3
71.01379	1.9
72.99304	0.3
73.02939	0.6
74.20782	0.3
74.99096	0.5
81.03452	0.3
83.01391	0.7
85.02958	1.0
87.00867	0.4
89.02454	1.5
93.03465	2.8
95.05047	0.3
97.02949	0.4
99.00916	0.6
100.43719	0.3
101.02451	1.3
107.05033	1.9
108.02189	1.5
109.02974	1.0
113.02473	1.0
119.03498	0.4
119.05073	0.5
120.99686	0.7
121.02969	2.5
121.06580	0.3
122.03751	100.0
123.00906	0.7
123.04064	1.7
123.04549	1.0
125.02438	0.6
135.04543	1.7
136.01585	0.4
137.02448	10.1
137.06058	1.9
147.04503	1.4
149.02481	0.9
149.04591	1.0
149.06070	0.6
150.03265	0.7
151.00389	1.1
151.04010	4.0
152.01167	0.7
153.01926	0.5
161.02440	0.6
161.04584	0.5
165.05569	9.6
167.03545	2.2
169.65779	0.3
170.95428	0.3
177.05542	3.0
179.03471	0.5
191.03589	0.5
191.05658	0.3
209.11752	0.8
229.01489	0.4
247.99217	0.3
268.07404	0.8
271.02411	1.2
272.03253	0.6
281.06720	2.2
287.01962	0.5
299.99149	7.8
300.02756	1.7
300.99896	4.4
301.03580	4.2
301.10904	1.2
311.07748	1.5
312.99884	0.4
314.97849	0.6
315.98651	1.4
316.02313	1.9
317.03073	0.6
330.00153	0.5
331.00989	1.4
373.01651	0.3
419.13513	11.8
420.13910	1.1
446.16580	0.3
463.05283	4.2
463.10547	0.9
463.21863	2.1
464.05359	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77806	0.5
53.78473	0.6
54.04919	0.6
58.31627	0.6
58.50044	0.5
59.01385	10.9
65.00328	3.6
65.00629	0.6
69.35326	1.8
69.35744	2.1
71.01390	3.3
73.02963	1.2
74.99120	2.9
77.85852	0.7
79.01900	10.7
85.02966	1.0
87.98359	0.5
89.02480	1.7
93.03488	2.0
97.02972	2.1
101.02451	2.0
107.01390	1.4
107.05040	0.7
108.02174	0.8
109.02969	3.5
113.02479	1.3
117.03481	0.9
121.02964	16.2
123.00931	1.1
123.04510	1.1
125.02459	2.6
133.02951	0.8
134.03752	1.3
135.04538	77.4
136.04871	2.5
136.99178	3.1
137.02457	3.2
139.04025	5.1
139.11320	2.0
140.02722	0.6
145.03044	0.6
149.06100	2.5
151.00371	5.1
151.04022	1.0
161.02464	1.9
164.04994	0.7
165.01942	85.3
166.02280	3.1
168.00732	0.8
169.01399	2.7
174.15889	0.6
178.99887	1.9
179.03517	1.6
181.08693	3.4
183.02982	0.6
183.10216	4.3
189.01926	3.9
199.23203	0.7
207.03091	1.1
209.11830	1.3
239.07112	0.8
240.07890	0.8
251.07094	1.2
267.06549	1.3
268.07440	3.9
271.02591	2.3
271.06131	0.7
281.06650	2.8
283.06058	0.8
283.09738	1.9
286.62466	0.7
297.06113	0.7
299.99121	1.8
300.02734	3.3
300.05817	0.8
301.03586	13.6
301.07162	100.0
301.10641	8.7
302.04208	1.1
302.07492	7.8
313.05771	1.4
315.08701	2.6
325.07217	0.8
463.13287	4.3
463.21146	8.5
464.12497	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77806	0.5
53.78473	0.6
54.04919	0.6
58.31627	0.6
58.50044	0.5
59.01385	10.9
65.00328	3.6
65.00629	0.6
69.35326	1.8
69.35744	2.1
71.01390	3.3
73.02963	1.2
74.99120	2.9
77.85852	0.7
79.01900	10.7
85.02966	1.0
87.98359	0.5
89.02480	1.7
93.03488	2.0
97.02972	2.1
101.02451	2.0
107.01390	1.4
107.05040	0.7
108.02174	0.8
109.02969	3.5
113.02479	1.3
117.03481	0.9
121.02964	16.2
123.00931	1.1
123.04510	1.1
125.02459	2.6
133.02951	0.8
134.03752	1.3
135.04538	77.4
136.04871	2.5
136.99178	3.1
137.02457	3.2
139.04025	5.1
139.11320	2.0
140.02722	0.6
145.03044	0.6
149.06100	2.5
151.00371	5.1
151.04022	1.0
161.02464	1.9
164.04994	0.7
165.01942	85.3
166.02280	3.1
168.00732	0.8
169.01399	2.7
174.15889	0.6
178.99887	1.9
179.03517	1.6
181.08693	3.4
183.02982	0.6
183.10216	4.3
189.01926	3.9
199.23203	0.7
207.03091	1.1
209.11830	1.3
239.07112	0.8
240.07890	0.8
251.07094	1.2
267.06549	1.3
268.07440	3.9
271.02591	2.3
271.06131	0.7
281.06650	2.8
283.06058	0.8
283.09738	1.9
286.62466	0.7
297.06113	0.7
299.99121	1.8
300.02734	3.3
300.05817	0.8
301.03586	13.6
301.07162	100.0
301.10641	8.7
302.04208	1.1
302.07492	7.8
313.05771	1.4
315.08701	2.6
325.07217	0.8
463.13287	4.3
463.21146	8.5
464.12497	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1612
Annotation	Scorzodihydrostilbene A
Peak:m/z	Relative Intensity
61.64534	0.5
69.24629	1.3
69.25051	2.2
71.34617	0.5
74.73872	0.5
80.22420	0.5
119.04979	0.5
122.03745	0.8
123.04528	2.5
134.03764	1.9
145.02942	3.7
146.03714	1.3
149.06099	0.7
159.04501	0.7
177.05574	1.4
194.07393	0.6
195.08078	0.6
211.07642	1.5
212.08401	3.4
223.07628	3.3
225.05638	3.1
226.06067	0.6
238.06358	0.7
239.07103	4.5
240.07918	5.9
250.06314	1.2
250.85048	0.5
251.07187	5.4
252.07904	6.3
253.05168	3.2
253.08646	1.8
266.05878	4.0
266.47174	0.6
267.06616	15.4
268.07401	48.4
269.07706	3.5
271.05984	0.6
283.09778	36.7
284.10071	2.2
301.10825	100.0
302.11151	9.6
335.47040	0.6
407.26199	0.6
463.16080	6.2
464.15594	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80141	2.7
53.46399	2.7
70.02220	6.0
70.02601	5.3
77.18053	2.6
79.30732	2.4
83.01407	4.3
83.05044	2.8
85.02956	6.3
87.04520	6.2
95.05032	4.7
96.68286	2.7
97.02967	2.9
98.21808	2.9
109.03008	3.3
109.06583	5.9
111.00880	4.6
111.04531	49.7
113.02452	3.4
114.51747	2.6
123.04551	5.7
123.08172	8.2
125.02470	4.2
135.04529	3.8
137.02457	3.9
137.06087	4.2
139.00362	2.9
139.04016	12.0
141.26556	3.0
151.04051	15.1
153.05569	5.8
163.04169	4.0
165.09239	14.1
167.07121	5.4
175.04027	4.8
177.05618	2.7
177.09207	3.7
179.03450	3.5
181.05057	28.8
183.06691	9.8
185.08183	2.8
193.05055	16.7
195.06651	34.5
197.08223	4.0
203.07167	10.6
205.08569	2.6
209.08211	60.6
213.07651	22.6
221.08195	100.0
222.08626	5.2
223.06091	34.1
223.09801	7.6
225.07661	5.6
233.08287	6.2
235.09747	4.8
241.07196	35.4
242.07790	3.0
248.06888	5.3
249.07677	64.2
250.07997	3.8
251.09277	8.3
261.07593	2.9
263.09326	3.8
267.08786	10.3
277.07135	19.4
279.08789	6.0
282.34351	2.8
307.11865	5.3
333.09805	3.5
345.13553	7.8
385.12848	13.6
386.13324	4.0
391.13675	3.0
401.15918	4.7
427.13718	2.9
445.15067	29.4
463.16281	6.0
463.27283	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	463.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01180	0.9
54.95536	0.8
58.00594	10.7
59.01387	11.3
61.30637	1.0
61.98833	20.3
69.23126	6.6
71.01392	7.1
73.02982	1.1
79.22989	1.0
85.02970	2.5
89.02449	4.1
93.03483	1.0
97.02966	1.1
98.22495	1.6
101.02465	3.2
111.00887	2.6
113.02453	2.2
114.22060	1.1
119.03503	1.6
122.06115	1.5
132.04567	1.7
137.02455	1.4
139.04005	4.4
146.06119	7.3
148.07700	3.6
160.01721	1.1
160.04005	4.9
161.04829	43.3
162.05618	9.9
164.03502	1.9
167.05887	3.3
172.01590	2.0
174.05641	2.1
175.02731	1.9
175.06378	1.0
176.03433	1.2
179.03593	1.2
179.05803	1.8
185.02425	1.6
192.03049	4.8
193.03818	22.4
194.04124	1.0
200.01236	1.0
204.06694	5.4
205.07516	2.0
209.11877	2.3
216.00647	2.4
217.07552	1.7
227.08220	1.2
228.00737	1.0
237.06450	2.8
240.10223	1.0
241.09811	1.8
244.00159	2.1
255.11577	2.3
257.00845	1.8
271.14548	6.4
271.99600	1.6
273.07864	1.7
283.10895	100.0
283.99643	1.3
284.11255	7.4
299.14041	1.8
299.99124	78.6
300.99863	39.8
302.00323	3.5
313.12335	1.2
329.15085	10.5
343.13046	5.0
355.13080	1.8
373.14041	56.5
374.14435	4.3
385.13904	4.6
388.63449	1.1
403.15076	6.1
404.15814	1.0
409.13943	1.5
427.15341	2.3
445.16324	1.2
445.43628	1.1
463.05292	46.2
463.17328	21.8
464.05777	4.4
464.17545	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
58.15504	1.2
59.01377	3.4
71.01402	1.6
71.27584	1.2
73.02922	1.4
76.98318	1.2
82.90186	1.0
85.02979	2.5
85.06586	3.1
87.04517	1.3
87.48269	1.0
93.03487	2.1
95.01421	1.7
95.05052	1.3
101.02439	1.8
102.34509	1.0
108.02190	2.9
109.02965	9.8
111.00936	1.0
111.04532	3.8
113.02460	3.2
121.02953	6.6
123.04530	1.7
125.02451	1.0
132.58783	1.0
134.03726	4.0
135.04510	3.0
137.02467	1.9
141.05626	2.0
145.02995	4.9
146.03790	1.2
149.06050	1.7
159.04562	3.2
161.04565	1.0
165.05629	2.8
166.06401	1.5
171.04572	1.3
172.05344	4.5
173.06099	1.3
179.07147	2.8
181.08730	3.1
183.06642	11.6
185.06100	2.4
187.07661	1.3
207.06680	4.4
209.08228	1.7
209.11856	1.7
213.07574	1.1
225.07701	46.1
226.08234	1.4
250.06454	2.6
251.07185	2.3
253.05168	1.4
263.07242	2.0
265.08813	2.9
267.06677	2.3
268.07382	1.7
269.08170	1.1
271.02560	1.1
275.07153	2.6
276.07855	1.3
277.08710	1.8
278.06012	2.4
278.09396	1.9
279.06760	3.7
280.07538	1.1
283.09930	1.4
289.08908	2.0
291.06674	2.8
292.07391	4.0
293.08157	17.9
294.09015	10.1
299.99182	1.9
300.99860	1.9
305.08340	3.8
306.09036	3.5
307.09811	6.5
308.10529	13.1
309.11209	2.0
321.11603	7.1
325.10873	1.6
354.09232	2.7
355.09717	1.7
369.11743	1.4
371.09271	2.6
372.10037	1.2
382.08670	3.4
383.09085	4.3
384.10004	1.4
387.12396	3.4
397.10782	8.5
398.11420	2.6
399.12619	2.3
400.09338	5.7
401.09912	1.3
401.14481	1.3
401.30783	1.2
402.15176	1.4
412.13254	1.3
413.14014	4.0
414.15125	1.6
415.11871	27.0
416.12314	2.3
419.31595	3.3
429.13605	4.3
430.14288	32.2
431.14600	3.4
445.16583	100.0
446.16974	11.5
463.17734	58.5
463.23062	2.4
463.31125	17.0
464.18256	7.5
464.31223	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.0
57.03444	3.8
58.00587	1.4
59.01381	46.5
61.98850	0.6
65.00321	1.2
67.01900	0.5
69.03442	2.2
71.01384	60.1
71.05025	3.5
71.29751	0.7
72.01690	0.7
72.99291	2.6
73.02949	23.6
75.00871	3.3
81.03448	1.0
83.01384	9.8
85.02953	28.2
87.00875	3.2
89.02450	18.1
93.03445	1.0
95.01384	6.2
97.02959	2.7
99.00890	10.5
99.04498	0.6
101.02446	46.9
102.98617	0.5
107.01363	1.1
109.02940	2.0
110.00098	7.6
111.00883	6.0
112.61378	0.4
113.02452	24.6
115.04027	1.4
119.03489	4.9
119.05002	0.7
120.99650	0.7
121.02937	2.0
123.00896	2.2
123.04530	0.6
125.02440	5.2
129.01956	1.2
131.03484	3.3
136.98853	1.1
137.02448	1.0
137.99586	2.8
138.03214	0.9
139.00388	10.7
139.03992	1.8
143.03455	3.6
149.02454	0.8
149.04582	2.2
151.00356	2.3
151.03983	0.8
155.04974	0.5
158.75101	0.5
159.03015	5.3
159.04195	0.9
161.04552	32.0
162.04913	1.1
165.99078	9.4
166.99855	6.4
171.04532	1.1
173.02403	0.7
174.03255	0.6
178.99904	5.2
179.05640	2.2
183.04526	0.6
193.98663	1.0
194.99377	2.3
198.03360	1.5
199.03999	2.0
201.01958	1.7
202.08539	0.5
203.03426	0.7
206.99368	1.8
208.00072	0.6
209.11882	1.2
213.05933	1.7
215.03499	1.1
216.04175	0.6
226.02911	0.7
227.03542	3.6
229.04953	0.6
231.02925	1.2
233.06688	2.2
241.14445	6.2
242.02196	1.9
243.02980	5.0
244.03809	1.0
245.04414	1.0
255.02972	3.1
259.02396	1.5
270.01660	3.8
271.02499	23.6
271.99982	0.7
272.02728	2.5
273.07712	1.1
287.02002	14.4
287.05179	1.2
288.02527	1.8
293.08865	1.2
298.98621	0.6
299.01971	11.5
299.99109	8.2
300.02631	3.8
300.99835	5.3
301.03302	1.0
301.07327	1.1
315.01389	1.5
316.02246	39.9
316.99152	1.1
317.02997	34.4
318.03360	2.7
331.17615	45.9
332.17908	3.0
373.02039	0.8
375.17010	0.6
403.19595	1.2
409.52496	0.6
421.14560	0.5
463.09125	37.5
463.21854	100.0
464.09610	4.3
464.22177	8.3
464.95868	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37682	0.7
55.01871	2.3
55.21320	0.7
58.00579	0.9
59.01384	16.6
65.00322	1.0
69.03453	0.8
69.13020	3.1
69.13446	2.7
71.01387	24.7
71.05033	4.1
72.01743	0.8
72.99317	1.4
73.02649	0.7
73.02952	8.1
79.01900	1.1
80.02674	0.9
80.75287	0.7
81.03457	1.4
83.01394	4.3
83.05014	4.4
84.02168	1.4
85.02961	9.7
87.00900	1.7
89.02453	7.9
93.03444	1.1
95.01389	1.5
95.05051	1.1
95.33480	0.7
97.02962	2.5
99.00885	4.0
101.02457	18.2
103.30403	0.8
106.44377	0.8
108.02191	2.8
109.02966	1.8
113.02453	8.1
115.04033	1.0
117.03496	0.7
119.03524	1.8
121.02972	3.5
123.00873	1.5
124.01665	9.6
125.02505	3.9
131.03516	1.1
132.02213	1.4
133.02965	18.0
135.04539	8.8
137.02438	1.4
139.04027	26.2
140.04378	1.0
143.03526	1.6
151.00352	2.0
151.72916	0.8
152.01172	0.8
159.02953	1.6
161.02461	50.8
161.04477	13.2
162.02835	2.1
163.04045	2.2
163.11281	3.1
165.01953	6.6
165.12802	2.2
166.02727	1.3
167.03491	2.9
175.04036	0.9
177.05450	0.9
178.02715	0.7
179.03477	6.0
181.05211	1.0
183.10269	2.3
193.01385	4.8
193.58362	0.9
199.13358	0.9
209.11838	100.0
210.12131	4.5
215.07170	1.2
217.33833	0.8
227.12926	12.5
233.06482	1.1
243.03017	0.9
253.09270	13.0
255.02997	3.2
257.08115	1.6
271.02496	7.1
273.04749	1.0
273.07703	20.4
274.08148	1.0
283.06177	14.6
299.99530	0.9
300.02756	10.9
301.00037	1.6
301.03525	5.8
301.07211	10.1
323.07544	4.7
325.07040	1.4
331.17590	11.1
439.28513	0.8
463.12469	42.1
463.21875	24.2
464.12817	4.1
464.22424	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	463.219
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	13.2
63.34361	0.8
71.01388	10.4
71.28441	0.8
73.02946	2.9
75.12762	0.7
77.32880	0.8
80.02667	0.9
80.55216	0.6
81.03500	0.9
83.01361	1.0
83.05025	6.3
83.20325	0.7
84.02151	1.0
85.02957	3.4
87.00909	1.5
88.49310	0.7
89.02460	6.0
93.03451	2.0
95.01385	1.5
99.00880	1.5
101.02460	7.3
108.02100	0.8
109.02962	2.9
113.02484	3.8
119.03503	1.6
121.02956	1.8
122.03749	2.2
123.04530	2.3
125.02489	0.8
131.03596	0.9
135.04561	2.3
137.02451	2.0
138.02840	0.8
139.03989	1.6
151.00443	1.0
153.01953	4.9
155.10793	2.4
161.02458	1.0
161.04547	4.6
163.11342	3.7
165.01981	2.2
165.05591	4.5
165.12874	2.4
167.03471	0.9
179.05679	0.8
181.05061	0.9
191.10947	0.8
198.01521	1.1
209.11856	100.0
210.12215	4.9
227.12929	15.8
235.74835	0.7
239.07140	1.3
251.07127	0.8
252.08028	0.9
253.04990	0.7
253.09285	11.6
255.03181	1.2
267.06674	2.6
268.07477	8.8
271.02399	3.3
283.06659	1.1
283.09677	4.9
297.06171	3.3
299.99527	1.2
300.02689	4.9
300.99905	1.3
301.03687	1.3
301.07211	3.6
301.10858	10.1
331.17535	1.7
375.09564	2.0
463.13361	4.5
463.21716	6.5
464.57547	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.0
57.03449	1.5
59.01384	81.4
59.21393	0.6
65.00329	2.2
68.99451	4.8
71.01385	7.8
73.02957	4.5
74.03503	0.5
75.00883	0.7
79.01922	0.9
82.40298	0.6
83.01372	2.8
83.05038	1.0
85.02955	4.1
89.02447	0.9
95.01333	0.7
95.05031	0.8
97.02989	0.9
98.22567	1.1
99.00892	1.6
101.02454	7.7
107.01394	3.7
113.02457	2.8
121.02969	5.5
135.04523	8.5
137.09747	0.8
137.83438	0.6
139.04028	1.9
139.11302	29.2
140.11586	1.0
149.02420	0.7
151.00381	15.5
161.04536	3.2
163.11276	1.7
165.01952	9.5
165.09189	1.5
169.01379	1.2
178.99855	6.8
179.03464	0.7
181.08760	0.7
181.12366	11.2
183.10274	40.0
184.10643	1.9
193.01447	0.6
198.54436	0.6
199.13449	0.8
225.11339	4.7
231.02997	0.7
237.09781	3.0
240.77791	0.6
243.12393	2.3
255.03081	0.6
268.07510	0.7
271.02600	0.9
273.07483	1.2
300.02643	1.1
301.03528	28.0
301.07156	11.2
301.10632	1.5
302.03790	2.1
302.07071	0.7
337.88312	0.6
445.20810	9.1
463.08014	6.1
463.21835	100.0
464.08774	1.2
464.22253	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	463.2345
Annotation	Chagreslactone
Peak:m/z	Relative Intensity
59.01399	1.0
59.83554	0.6
62.52967	0.6
67.40462	0.5
71.11824	0.6
71.29832	0.8
71.30185	0.8
77.20541	0.6
78.95911	0.7
104.15503	0.6
107.53612	0.6
110.62247	0.6
111.00853	0.8
123.00858	0.8
124.01681	9.1
125.02425	0.7
139.00333	1.2
140.01180	1.0
149.02461	6.1
149.13324	1.2
151.04015	1.1
158.03712	1.6
159.04562	1.0
161.02426	1.1
162.03227	5.2
163.04015	2.4
164.04810	15.2
168.00648	4.5
171.10287	1.8
172.05264	1.0
174.03279	0.8
175.04018	10.2
176.04759	1.1
177.05557	2.1
185.06065	0.7
187.03987	0.8
189.05573	1.7
190.06317	2.1
191.14233	0.8
193.01378	2.1
201.05592	3.3
201.12749	1.3
203.03436	1.1
203.07147	1.7
205.01366	2.1
206.02156	1.0
215.07237	0.7
218.09486	2.3
219.02962	2.1
219.13882	2.1
229.12384	3.6
247.13414	24.3
248.13792	1.8
271.13571	0.6
273.11319	1.3
277.43768	0.7
291.12396	3.0
299.99069	2.5
300.99789	2.3
329.01584	0.7
357.24307	0.8
383.22250	8.0
397.36343	0.6
401.23422	6.2
419.24405	9.1
420.25137	0.8
445.22491	3.5
463.05261	2.3
463.23370	100.0
464.23599	10.6
464.29745	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2342
Annotation	Chagreslactone
Peak:m/z	Relative Intensity
50.21796	0.6
52.42772	0.6
57.03450	0.8
59.01365	2.1
61.66895	0.6
66.72913	0.6
69.80340	1.8
69.80748	1.0
71.01388	0.8
83.03799	0.6
83.05037	0.7
95.05150	0.6
95.85429	0.6
97.32336	0.6
105.91050	0.6
107.27148	0.6
109.02929	0.7
111.00851	0.7
111.08138	0.7
123.00910	1.7
124.01665	19.1
125.02374	0.7
135.04538	0.8
137.02367	1.5
138.03218	0.9
139.00360	0.6
145.40172	0.6
146.03767	3.2
149.02467	5.2
151.04060	1.4
159.04478	2.1
161.02490	1.5
162.03233	3.4
163.03976	1.7
164.04817	5.7
166.06351	0.6
168.00633	4.0
172.05261	1.0
173.06088	0.9
174.06912	1.4
175.04012	9.9
176.04741	0.9
177.05573	2.1
185.06059	1.1
187.04041	1.2
189.05585	2.3
190.02588	0.7
190.06352	3.0
193.01419	2.0
200.08398	0.6
201.05594	3.6
203.03499	1.8
203.07146	2.5
203.14449	0.7
204.04501	0.7
205.01428	1.8
206.02188	0.8
215.07257	0.7
219.02989	1.9
244.11069	0.8
245.11722	0.8
246.12592	1.3
247.13318	1.1
257.15482	1.2
262.12152	0.8
273.14883	1.0
275.16583	1.1
283.13345	1.9
289.10681	1.0
290.11798	0.8
299.99118	2.1
300.99847	1.1
301.14456	14.5
302.14798	1.7
319.15503	4.8
320.15671	0.9
324.57092	0.8
345.13678	0.8
345.49774	0.6
355.22809	0.9
357.24222	0.7
363.14777	0.9
383.22263	5.7
384.22507	1.2
401.23325	8.3
402.23187	0.7
403.28467	1.7
419.24347	13.2
420.24728	1.3
445.22318	2.1
463.05194	1.6
463.23370	100.0
464.23773	10.6
464.30237	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90079	1.3
59.46875	1.3
61.98818	2.2
63.45840	1.3
66.01892	1.3
71.29629	1.4
78.69080	1.3
78.95898	2.6
83.36186	1.3
87.55314	1.2
96.96030	3.7
103.56689	1.2
133.02951	22.4
134.03711	2.7
135.04532	38.7
135.81812	1.3
136.04895	2.1
144.84373	1.6
152.99591	7.1
161.02448	100.0
162.02782	4.1
179.03513	13.8
221.19101	5.8
236.70036	1.6
265.18100	3.4
266.39658	1.3
283.19168	4.6
299.99207	3.8
300.99893	5.0
301.20178	14.4
326.91019	1.4
445.22031	1.5
463.05243	2.4
463.23434	66.4
463.30539	13.4
464.23639	7.2
464.30377	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11129	1.1
62.26525	1.2
72.84777	1.0
72.92466	0.9
75.21960	1.0
76.88940	1.0
77.35056	0.9
105.03413	3.5
132.02203	8.1
133.02977	17.8
134.03770	14.8
135.04524	5.2
137.02415	2.5
149.00056	3.0
149.06027	1.8
160.01669	48.8
161.02469	11.0
161.05963	1.3
175.04010	100.0
176.04312	3.3
179.03418	2.6
193.05096	6.5
194.98776	5.0
229.23610	1.3
261.11166	2.6
287.19693	1.2
287.22305	13.1
291.12277	1.4
299.98978	3.6
300.99841	3.4
347.18439	1.3
361.20026	1.6
363.25299	1.2
431.24249	6.3
455.25735	1.2
463.11026	2.1
463.26758	65.8
464.26822	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	463.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60588	1.0
62.44131	1.1
69.49777	1.2
70.54829	1.5
70.55186	2.2
95.05055	1.1
105.03443	3.1
105.19052	1.0
117.03510	1.3
132.02171	7.6
133.02966	17.1
134.02916	1.1
134.03760	13.0
135.04457	4.4
137.02415	2.0
149.06073	1.1
160.01674	42.7
161.02469	10.5
161.06013	1.7
175.04005	100.0
175.38205	1.3
176.04266	3.4
179.03485	1.3
193.05118	6.9
194.98875	1.7
264.73141	1.0
287.19806	1.4
287.22324	14.8
291.11963	1.6
299.98993	1.5
300.99866	1.8
361.20203	2.5
363.25470	1.5
431.24274	6.0
463.26764	55.9
464.26685	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	463.3078
Annotation	(+)-Aerocavin
Peak:m/z	Relative Intensity
53.32851	0.8
57.03437	2.5
59.01390	0.9
59.98524	2.0
60.16245	0.9
61.98816	1.7
69.01188	3.6
69.01614	4.3
77.12083	0.8
81.03461	4.2
83.05019	1.0
84.02177	1.3
85.02914	1.3
87.04496	1.4
95.05076	1.3
95.27426	0.8
111.04482	1.6
113.09726	1.9
123.04504	3.7
125.02446	2.0
135.04543	0.9
140.18306	0.9
141.05635	1.0
147.74504	1.1
151.07603	0.9
152.99538	1.4
160.99304	0.9
161.02451	2.6
181.08704	13.7
183.06586	1.7
195.06653	1.2
225.07675	1.7
227.09277	7.4
264.33496	0.8
301.00208	1.5
307.02481	0.9
341.25079	1.2
345.28036	7.7
357.28040	1.2
371.29724	1.7
383.29608	10.1
389.27011	3.3
399.28915	4.6
401.26419	1.6
401.30963	1.4
419.31754	2.5
420.32010	1.0
445.29480	2.1
463.30670	100.0
464.31024	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	463.307
Annotation	(+)-Aerocavin
Peak:m/z	Relative Intensity
57.03452	0.5
59.01385	3.3
60.23828	0.5
65.06679	0.5
69.03429	0.6
71.01371	1.4
85.02963	0.7
85.06606	3.0
87.04504	0.7
89.02450	1.2
95.01400	3.3
98.22557	0.8
111.04520	1.9
113.02447	0.7
121.02923	0.7
125.02441	1.3
135.08151	0.7
137.02425	0.8
141.05614	0.7
147.44537	0.5
161.02519	0.5
163.07632	0.6
163.76604	0.4
165.05630	0.9
166.06364	0.8
166.27600	0.5
169.12354	3.7
172.47363	0.5
178.64314	0.5
179.07127	2.3
181.08694	1.6
182.23822	0.4
183.06662	3.5
197.91795	0.4
207.06609	3.1
225.07698	13.3
226.07909	0.6
268.07397	0.6
271.02679	0.6
273.46243	0.5
299.99258	1.0
300.02573	0.7
300.99765	0.8
301.10764	1.4
341.24933	0.5
343.29987	0.7
357.28055	0.6
371.25006	0.9
371.29486	8.0
372.29922	0.7
373.31137	11.3
374.31689	1.2
377.49176	0.5
399.29175	1.7
419.31726	26.2
420.32132	2.7
445.18805	2.7
445.29190	2.6
463.30701	100.0
464.31015	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	463.3072
Annotation	ponasterone A
Peak:m/z	Relative Intensity
50.77911	0.2
52.83268	0.2
57.03444	0.3
58.74765	0.3
59.01363	1.1
60.99306	1.3
62.86699	0.3
64.14145	0.2
65.74312	0.2
69.49892	0.3
70.12910	0.5
70.13272	0.6
81.56741	0.3
85.06593	0.6
87.04509	0.4
89.41438	0.2
98.28545	0.3
105.61362	0.3
109.02881	0.2
111.04533	0.3
121.03044	0.2
125.02465	0.2
162.82817	0.3
181.08714	2.1
182.08908	0.3
183.06641	0.5
195.06705	0.6
209.08141	0.6
209.11913	0.4
213.07686	0.7
223.06186	0.3
225.07703	1.6
249.07698	0.3
263.12891	0.7
283.74399	0.3
300.99796	0.4
301.32541	0.3
345.28049	1.1
355.26199	0.5
355.30099	3.9
357.27982	0.6
371.29645	1.1
373.27191	0.6
373.31219	0.8
375.32611	0.4
399.28952	0.8
401.30630	4.8
402.30927	0.8
415.11969	0.4
419.31689	10.1
420.32098	1.0
445.16754	1.2
445.29510	1.2
456.78116	0.3
463.30682	100.0
464.31024	11.3
466.49713	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.7
56.87817	0.6
58.00593	0.6
59.01378	10.1
60.01720	0.7
61.98832	100.0
67.76961	0.7
68.57024	0.6
71.01385	7.2
71.29617	0.9
73.02940	1.7
83.01392	1.1
85.02964	2.0
87.00850	1.0
89.02444	3.6
93.03464	0.7
95.01441	0.7
96.96043	1.0
99.00951	1.2
101.02444	4.0
104.05091	0.7
107.01416	1.5
107.05044	3.6
108.02203	1.6
109.02962	2.4
111.00902	2.2
113.02455	2.4
119.03497	1.1
123.00905	5.0
123.04515	1.6
124.01667	0.7
125.02458	10.1
137.02438	1.8
139.00398	1.7
139.04028	1.0
140.01163	1.7
141.01933	0.7
147.92503	0.7
148.04108	0.8
151.00363	2.0
151.04056	0.9
153.01958	4.2
159.03027	0.7
160.04071	1.6
161.04811	15.2
162.05153	7.9
163.05934	2.4
166.05092	2.9
168.00641	1.6
169.01421	12.4
172.01642	1.2
173.02031	0.8
175.02718	1.2
179.03590	0.6
192.03021	1.6
193.03796	9.5
194.04126	5.8
200.01204	0.7
210.04060	1.6
216.00629	0.8
217.00928	1.8
229.01169	1.4
242.99257	0.8
244.00021	2.3
245.00479	1.9
256.19257	0.9
266.68512	0.7
271.99557	1.0
272.14954	0.7
272.99945	1.2
281.06693	0.7
283.10892	15.5
283.99426	1.0
284.11224	40.1
285.11554	1.7
297.06146	1.1
299.99100	24.3
300.99557	59.0
302.00226	36.8
303.00403	2.5
303.08704	1.0
313.05469	3.5
333.19257	1.2
367.45465	0.7
374.14459	4.3
387.09613	0.7
421.11462	11.0
447.09195	1.4
464.05548	54.9
464.11609	2.0
464.17557	3.4
465.05579	4.4
465.11380	10.9
465.23917	4.0
478.77527	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.214
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78185	1.2
57.03431	1.5
59.01133	1.6
59.01384	18.9
69.00987	13.1
71.01386	18.5
71.05029	9.2
73.02949	6.6
77.03973	2.2
79.01886	4.7
83.01385	2.1
85.02939	7.7
87.00914	1.7
89.02441	5.3
93.03460	2.5
97.02950	5.8
98.03316	1.6
98.21793	2.2
99.00911	2.6
101.02444	15.5
109.02974	2.4
111.00883	1.7
111.88869	1.5
113.02468	8.3
119.05015	4.0
120.99673	12.7
121.02960	6.3
123.04529	3.4
125.02447	3.0
137.02443	5.1
138.03244	4.2
139.00391	2.8
139.04036	38.6
140.04362	14.2
149.06059	13.0
157.13896	1.4
161.04581	6.4
163.07686	1.5
164.04703	1.8
165.01952	8.2
165.05608	1.6
166.02742	12.0
167.03166	5.4
175.02553	1.6
178.05946	1.7
179.03477	3.7
180.03876	2.1
193.01447	5.5
194.01855	4.1
213.09026	1.6
214.09608	2.2
215.07166	1.8
216.07468	4.8
230.09103	1.7
248.60466	1.5
257.08237	4.9
258.08511	5.5
268.07526	1.7
273.07635	17.3
274.08017	33.9
284.03433	2.0
284.06403	3.6
285.03583	1.8
287.04132	2.1
289.16586	26.8
290.17093	2.5
301.03891	1.4
301.07178	10.3
302.03918	2.3
302.07507	27.6
302.10800	1.9
303.12442	5.1
343.11841	9.4
421.20810	24.4
422.21036	3.6
464.12805	100.0
464.26257	10.8
465.13120	7.4
465.27301	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.104
Annotation	6-C-Glucopyranosyldihydroquercetin
Peak:m/z	Relative Intensity
50.80510	0.7
54.40773	0.6
69.03475	4.7
77.33560	0.7
79.01912	1.0
81.03469	1.2
83.01398	2.1
91.14718	0.7
93.03467	1.7
95.01406	1.7
97.02959	4.0
98.21730	1.3
104.68306	0.6
105.03487	0.9
105.77398	0.6
107.01399	3.6
108.02209	0.6
109.03007	1.3
112.91317	0.9
121.02937	1.1
123.00906	8.9
124.01681	24.9
125.02463	61.9
126.02795	1.2
136.01688	0.8
137.02475	4.0
149.99602	40.6
151.00409	3.8
151.04024	2.6
167.03484	1.0
167.22800	0.7
168.00661	68.6
169.01375	5.6
204.22681	0.7
224.56702	0.7
282.56610	0.9
285.68195	0.7
287.76160	0.8
306.30222	0.7
313.05807	2.8
326.18210	0.7
447.09229	3.3
465.10397	100.0
466.10730	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	465.104
Annotation	3,4,5,2',4',6'-Hexahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
57.03448	9.7
59.01382	20.2
61.98837	2.4
63.53037	1.1
65.00333	3.9
69.04354	10.6
71.01393	6.7
83.01385	7.6
85.90712	1.2
88.85501	1.1
89.02445	5.1
93.03493	1.4
95.01396	2.1
97.02892	1.2
101.02492	2.2
107.01387	8.0
108.02230	1.4
109.02951	5.6
109.17377	1.1
111.00905	4.4
119.03512	2.7
121.02953	2.4
123.00887	1.2
123.04525	5.6
124.01643	2.1
125.02454	100.0
126.02779	3.2
137.02455	5.4
139.00362	1.6
139.03987	4.9
149.02429	12.3
150.03177	1.8
151.00377	31.8
151.04019	4.8
152.01132	4.2
153.01953	28.6
158.91042	1.1
161.04613	1.5
161.05972	1.5
165.02046	1.5
167.03531	1.8
169.01387	2.6
174.03224	3.0
175.00394	6.0
175.04004	9.9
177.01910	17.8
178.99860	22.1
179.05652	2.3
181.01454	13.8
188.04828	2.0
189.05634	2.4
191.03505	2.2
193.04980	1.2
195.02956	2.9
197.06010	1.5
199.03952	6.4
201.01923	2.7
205.01384	1.9
213.05443	1.8
217.05080	5.8
219.03194	1.1
241.05032	4.2
257.04520	2.5
259.06140	3.4
273.00479	3.5
275.05606	22.4
285.04053	56.5
285.12527	8.7
286.04413	3.3
299.05643	6.4
303.05136	67.4
303.08594	3.5
304.05374	4.1
313.05737	2.2
327.05103	1.4
341.05121	7.6
343.06750	7.6
394.85324	1.3
403.12546	2.2
405.21756	1.9
422.18277	1.3
437.10471	1.5
447.09274	2.9
457.75717	1.2
465.19919	2.6
491.16983	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.104
Annotation	6-C-Glucopyranosyldihydroquercetin
Peak:m/z	Relative Intensity
50.51382	1.0
57.03457	2.6
59.01383	12.3
61.98831	18.8
62.04113	1.0
67.01889	2.8
68.66047	1.2
69.03458	1.1
71.01035	1.7
71.01386	17.5
72.99294	1.6
73.02936	4.4
79.01888	2.4
81.03479	1.6
83.01395	3.1
85.02943	5.3
87.00875	2.4
89.02453	7.0
93.03428	1.4
95.01392	7.1
96.96024	4.3
97.02957	2.9
98.22503	4.0
99.00887	1.5
101.02453	9.8
107.01390	13.8
107.05042	29.0
108.02196	2.8
109.02956	23.0
111.00871	8.6
113.02457	7.7
117.11697	1.4
119.03510	1.6
121.02885	1.5
122.03754	5.5
123.00888	26.2
123.04545	9.7
124.01669	2.8
125.02457	75.8
126.02785	2.2
127.00371	1.6
136.98848	3.3
137.02467	3.1
139.00400	10.0
139.03983	2.2
140.01161	6.3
141.01898	3.2
149.02470	2.4
151.00381	21.6
151.04007	6.2
152.01160	2.1
153.01945	32.3
153.03171	2.6
154.02245	1.5
160.04060	3.2
161.04559	2.8
162.05251	1.2
163.03986	2.4
165.01842	1.4
166.99852	1.2
168.00624	6.4
169.01434	89.0
170.01788	3.7
177.02063	1.8
179.03561	2.5
179.05568	1.5
211.02495	2.7
257.00720	1.3
283.10843	2.4
284.11227	2.6
285.11319	2.5
297.06149	8.9
299.99170	2.6
300.99622	7.2
301.99774	6.1
303.00430	4.2
303.08740	3.6
313.05704	17.7
335.58240	1.1
375.14691	2.2
421.11429	96.6
422.11694	9.5
447.03473	2.1
447.09308	14.6
448.09653	1.5
465.10452	100.0
465.23578	4.2
466.10712	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	465.1042
Annotation	Taxifolin 3'-glucoside
Peak:m/z	Relative Intensity
57.03454	11.4
59.01386	29.4
59.99715	1.1
60.01680	1.3
60.53254	1.1
61.98843	6.7
63.71068	1.2
64.13432	1.2
64.48598	1.1
65.00319	3.6
65.61881	1.2
69.03443	1.6
71.01045	1.2
71.01394	18.7
71.05003	6.4
72.01698	2.5
72.99303	3.0
73.02953	6.2
74.99106	8.3
81.03452	2.2
83.01384	9.9
85.02959	8.8
87.00845	1.8
89.02473	7.8
93.03477	8.5
95.01384	4.9
95.05058	1.5
96.95992	3.1
97.02967	3.8
99.00890	12.0
101.02447	15.7
107.01365	5.8
107.05013	2.2
108.02190	6.6
109.02962	13.1
111.00871	2.8
113.02473	6.4
117.01963	1.5
117.05611	1.6
119.03481	4.0
119.05012	1.3
121.02929	2.9
122.03738	3.1
123.00866	3.7
123.04520	10.6
124.01651	5.0
125.02458	100.0
126.02769	1.8
133.02911	1.5
135.04497	2.0
136.01660	2.3
136.99194	10.2
137.02477	19.4
137.06058	2.0
139.00404	3.4
139.04030	41.8
143.03575	1.6
146.63495	1.3
147.04454	2.1
149.02452	8.0
150.03166	3.7
151.00392	15.5
151.04037	12.6
152.01161	17.5
153.01958	12.7
153.05563	1.4
154.06683	1.5
161.04532	5.2
161.05774	1.5
163.00316	2.0
163.03961	4.9
165.01949	7.1
165.05476	2.7
167.03487	3.2
169.01428	5.4
173.02411	2.4
173.06064	1.4
174.03247	1.6
175.04036	18.0
177.01933	23.3
178.02278	1.5
178.98720	1.4
178.99895	15.2
179.03502	7.8
180.04034	1.3
181.01414	4.0
181.04979	1.5
188.04729	3.3
189.05505	4.4
191.06888	1.4
193.05063	3.1
196.02509	1.2
196.04399	1.5
199.03992	10.5
201.01836	2.9
209.04361	1.2
213.05414	2.0
215.03513	2.1
216.78702	1.2
217.05118	15.9
239.05618	7.0
241.05144	8.2
243.02989	2.2
257.04605	1.4
259.06152	6.6
259.09683	4.1
275.02194	1.3
275.05588	5.5
281.06573	4.1
285.04068	75.0
286.04260	5.0
300.99780	3.4
301.99628	1.4
303.01611	3.0
303.05035	63.3
303.08655	17.4
303.12357	8.2
304.05246	5.8
304.08597	1.5
313.05707	1.4
321.15555	21.1
331.17715	1.5
333.18427	3.9
365.30371	1.4
434.39096	1.5
447.09201	3.2
465.10205	53.0
465.22729	5.0
466.02872	2.3
466.10550	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	465.1041
Annotation	Taxifolin 3'-glucoside
Peak:m/z	Relative Intensity
57.03458	3.4
59.01384	5.8
61.69717	2.6
69.24664	14.6
71.01379	9.6
73.02942	2.8
75.17519	2.4
83.01414	3.5
85.02973	7.1
93.03497	5.3
95.01407	6.0
101.02487	4.8
107.01392	17.3
107.05032	62.9
107.05741	3.9
108.02239	2.5
108.05397	2.7
109.02977	3.8
111.00890	6.7
113.02491	3.7
123.00914	25.9
123.04569	3.4
124.01717	6.0
125.02463	92.6
126.02754	3.9
134.11235	2.3
136.98935	4.0
137.02477	7.2
139.00395	9.7
140.01138	5.1
151.00388	23.9
151.03992	15.1
152.01201	6.1
153.01939	6.8
161.04594	2.4
168.00777	5.5
168.04291	2.7
169.01447	86.3
169.05089	3.2
175.04103	3.9
175.18349	2.4
177.01935	3.9
178.99774	2.7
183.06636	3.3
196.08759	2.4
211.02516	7.6
244.00238	3.0
271.04666	7.8
275.05450	3.3
281.06677	4.2
285.04135	3.3
287.01944	5.9
297.06210	2.9
303.05109	4.9
313.05722	25.9
313.09113	6.3
421.11438	100.0
422.11847	8.2
447.09821	3.3
465.10370	77.1
466.10300	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	465.1043
Annotation	6-C-Glucopyranosyldihydroquercetin
Peak:m/z	Relative Intensity
59.01373	2.0
61.83220	1.0
61.98820	1.9
65.00303	1.4
69.27843	6.1
71.01375	3.6
71.54036	1.0
73.02940	1.4
88.43141	1.1
95.01404	2.0
98.22585	2.3
101.02456	2.4
107.01406	2.3
108.02187	35.1
109.02966	78.8
123.00886	4.3
123.04506	4.5
125.02428	2.2
137.02461	1.2
143.89920	1.2
151.00380	8.3
151.04019	12.9
151.99986	2.5
152.01175	43.4
153.01953	71.6
154.02306	2.0
163.55707	1.2
166.02312	1.1
167.03517	13.8
169.01387	1.7
187.98706	1.5
195.03032	1.4
249.50658	1.1
261.03357	1.2
287.02151	1.2
297.06250	4.4
303.04974	2.0
311.07724	2.4
313.05579	1.2
313.09293	2.1
315.07281	9.9
317.02673	2.2
318.02808	4.9
362.31824	1.3
410.05273	1.3
421.11386	1.9
465.10355	100.0
466.10632	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	465.1045
Annotation	Taxifolin 3-galactoside
Peak:m/z	Relative Intensity
52.73908	0.7
56.26113	0.8
56.31889	0.7
59.01373	5.4
69.01167	6.4
69.03455	4.2
71.01370	3.1
74.99100	0.9
79.01902	1.4
81.03460	2.2
83.01377	2.5
87.00897	0.8
89.02455	3.3
89.98759	0.7
93.03458	3.7
95.01403	2.1
97.02957	4.1
99.97670	0.7
101.02449	1.6
107.01415	3.4
108.02208	1.0
109.02979	1.3
113.02414	1.7
119.03514	2.4
121.02972	1.8
123.00902	9.2
124.01678	26.3
125.02458	72.3
126.02787	1.7
136.01656	1.4
136.99066	0.9
137.02470	9.7
139.04001	2.6
149.02419	0.9
149.99597	45.0
151.00432	4.4
151.04007	3.0
161.13351	1.1
165.01959	4.9
168.00655	75.7
169.01448	7.2
179.03589	0.7
179.05614	1.3
196.85445	0.9
205.12399	2.3
249.11400	3.9
275.01962	0.8
301.03619	1.7
302.03687	1.7
303.04199	2.2
313.05579	3.8
404.75345	0.8
429.18134	1.4
447.09384	3.9
465.10370	100.0
466.10754	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	465.1042
Annotation	6-C-Glucopyranosyldihydroquercetin
Peak:m/z	Relative Intensity
50.06573	0.6
59.01379	7.5
61.98824	0.8
64.83360	0.6
69.03460	0.8
71.01381	5.5
72.99267	0.8
73.02946	1.7
74.03662	0.6
74.99094	1.6
79.40313	0.8
81.03452	0.9
85.02949	3.2
89.02441	5.3
93.03433	0.9
95.01418	1.2
98.22545	1.6
99.00878	1.4
101.02455	5.8
107.01412	1.7
108.02177	50.4
109.02968	26.9
111.00879	1.8
113.02416	2.4
115.04028	0.7
119.03518	1.3
121.02951	0.8
123.00914	2.0
123.04528	21.0
124.01649	2.1
125.02449	1.3
131.03528	0.8
133.02954	0.8
135.00937	0.8
136.01657	0.8
136.99101	1.5
137.02461	1.1
149.04547	3.2
151.00449	1.8
151.04010	2.1
152.01158	68.4
153.01950	15.7
153.05579	2.7
161.02461	1.8
161.04558	1.1
163.04015	1.0
167.03499	57.9
168.03844	2.0
169.01465	1.0
181.05000	0.8
200.29968	0.7
223.04047	0.8
248.44008	0.8
255.06642	1.3
270.08801	2.3
273.03137	1.2
285.11288	0.9
301.03156	1.1
302.03378	2.3
303.12402	4.2
310.86807	0.8
311.07797	3.4
333.19116	3.5
377.19839	1.8
402.93280	0.8
421.11319	1.4
441.77548	0.7
447.19107	0.9
465.10297	100.0
465.21445	3.8
466.10687	10.2
486.74753	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	4.2
64.70914	0.6
65.49876	0.8
69.11372	3.4
69.11784	1.7
71.01380	2.5
74.99093	1.2
77.93257	0.7
78.84843	0.6
80.30328	0.7
82.40595	0.6
83.01416	0.8
83.05010	0.7
85.02964	1.0
89.02406	1.0
93.03464	8.3
94.03043	1.5
95.01385	1.0
96.96014	0.8
97.02998	0.7
101.02435	1.7
103.15411	0.6
107.01393	1.0
108.02188	2.2
109.02960	3.1
111.04499	0.9
120.99679	1.2
123.00862	2.7
123.04536	3.9
124.01669	1.1
125.02448	10.6
135.04520	1.3
136.99138	1.3
137.02454	12.2
138.02008	0.7
138.03241	3.3
139.00415	1.7
139.04024	83.5
140.04343	2.0
151.04028	8.0
152.01146	2.8
153.01959	6.1
153.05577	3.2
153.79227	0.6
161.02461	0.8
167.03481	2.6
168.00648	1.0
168.04289	7.6
169.01434	10.1
169.05075	100.0
170.02148	0.8
170.05458	3.3
172.05402	0.7
177.01924	1.2
179.03525	1.0
181.08658	1.0
182.02217	0.8
183.02986	8.3
183.06639	3.8
193.01433	0.7
197.02910	0.9
218.09874	4.1
219.10558	1.1
281.06671	8.8
300.99942	1.2
313.05676	7.6
313.09030	1.0
315.19919	1.2
317.17957	12.0
318.18057	0.9
345.08347	1.4
363.24213	0.7
377.19916	4.0
402.84424	0.8
465.14069	15.7
465.21713	15.8
466.14801	1.2
466.21909	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82761	0.6
56.16564	0.6
57.03442	0.8
59.01389	8.5
67.01894	1.1
71.01394	3.7
73.02957	2.5
75.00861	0.6
78.91899	1.4
81.03464	2.1
83.01366	0.9
85.02959	1.8
87.00897	1.3
89.02461	2.6
93.03431	0.7
95.01410	1.8
95.05028	0.8
98.22613	1.2
99.00872	0.9
101.02451	6.3
107.05041	1.8
108.02182	63.5
109.03014	4.3
111.00893	1.2
111.04546	2.6
113.02449	1.0
119.03442	0.7
120.99647	1.3
121.61754	0.7
122.03751	0.9
123.00894	8.7
123.04537	58.3
124.01686	1.9
124.04816	1.2
125.02453	2.4
125.06125	0.7
133.02983	0.9
135.00932	0.9
135.04532	2.8
136.99142	1.6
137.02475	1.7
143.03549	0.9
150.03278	0.9
151.04015	55.3
152.01183	3.3
152.04398	1.6
153.01950	2.2
153.05551	2.6
161.04593	1.5
164.01123	3.8
165.05579	1.3
166.02621	0.8
167.03531	1.9
167.24106	0.7
169.01404	1.5
178.02742	2.0
179.03506	100.0
180.03891	3.0
229.31126	0.9
231.10399	0.9
237.75522	0.7
243.12375	1.8
245.00819	1.0
271.99603	1.3
273.00327	3.8
273.02954	0.9
287.01965	1.1
287.14960	1.7
288.02756	5.9
288.05795	1.1
289.03519	1.4
301.03326	1.2
302.03522	2.3
302.07574	3.1
303.08737	95.9
304.09143	6.3
333.19211	1.2
337.24933	0.8
465.14603	16.8
465.22656	3.3
466.14520	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1423
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53037	1.3
57.03439	5.9
59.01369	4.0
60.32267	1.2
61.98845	2.2
65.00329	1.3
68.09674	1.3
68.57576	1.3
69.26672	4.7
69.27099	4.9
71.01375	1.5
73.55940	1.5
74.36052	1.4
80.12328	1.3
83.01403	3.4
89.38438	1.2
93.03458	5.1
95.01401	5.4
95.05031	3.8
101.02435	1.6
107.01413	5.9
107.05005	1.6
108.02219	3.0
109.02959	22.4
112.85075	1.4
120.99680	2.7
121.02948	4.0
121.06666	1.4
122.03799	1.3
123.00913	8.5
123.04536	56.4
124.01673	11.4
124.04923	1.6
125.02457	100.0
126.02814	2.3
135.04501	2.2
136.01627	2.7
137.02484	12.1
138.03255	1.6
139.00421	3.5
139.04024	34.4
145.02959	4.3
147.04480	2.0
149.02495	6.5
150.03238	4.3
151.00386	14.2
151.04025	23.5
152.01155	12.9
153.01956	14.5
161.02432	2.9
163.00368	4.9
163.04033	8.4
164.01167	12.3
165.01886	2.4
165.05476	1.9
166.99872	2.3
168.00566	1.9
169.01422	14.1
174.03175	2.3
175.04008	19.0
177.01945	28.6
178.02654	4.3
178.99921	11.5
179.03506	45.5
180.04073	1.8
180.48705	1.3
181.01537	3.1
185.06039	1.4
188.04820	1.7
189.05574	5.0
191.03633	1.4
193.05080	4.7
199.04025	10.2
201.02016	1.8
209.04579	2.1
213.05544	2.0
217.05034	12.6
231.06554	2.0
239.05582	5.2
241.05138	9.7
243.02924	2.5
259.06094	3.8
271.06174	7.3
275.05634	5.2
285.04059	71.3
285.97537	3.5
286.04407	4.5
297.05927	1.8
299.99094	2.2
300.99649	2.6
301.99838	4.7
303.05112	56.4
303.08768	90.2
304.05435	5.0
304.09155	6.0
313.05551	4.9
315.00967	2.5
316.01630	3.5
317.02026	2.7
345.01575	3.7
357.01218	1.9
375.02362	3.1
377.10660	1.9
447.02097	5.0
465.05722	8.8
465.10815	44.3
466.04926	1.6
466.10532	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	465.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.9
59.01379	2.7
62.92959	0.5
68.99826	1.2
71.01385	12.1
72.99297	0.8
73.02949	3.0
83.01394	2.9
85.02975	4.9
92.02756	0.6
93.03465	49.1
94.03787	0.8
95.01398	3.6
96.99317	2.2
97.02901	0.6
99.00888	0.8
101.02454	8.6
107.05067	0.9
108.02180	3.0
110.00114	1.8
113.02467	5.6
119.04980	0.9
121.02975	3.2
123.00900	0.7
125.02444	3.7
131.05093	0.6
132.54634	0.5
135.04503	1.1
136.01686	6.5
137.02457	84.3
137.99615	3.2
138.02802	2.5
139.00378	2.3
147.04564	1.6
149.02415	0.6
151.04048	1.7
153.01952	83.5
154.02515	3.0
161.04593	1.0
168.04289	78.4
169.04779	3.4
179.03574	1.0
183.06630	16.3
191.03555	1.5
200.80852	0.5
209.04611	0.5
217.55516	0.5
221.04706	1.5
236.90225	0.5
269.41901	0.7
270.67349	0.5
281.06677	100.0
282.06985	5.1
465.14059	42.1
465.20847	1.3
466.14252	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	465.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06326	0.7
57.03450	1.2
59.01377	2.6
59.19912	0.7
62.45832	0.7
67.01902	0.8
67.88362	0.7
71.01389	8.5
71.25666	0.7
72.99308	1.0
73.02965	1.2
74.99108	0.8
75.28741	0.8
77.26605	0.8
79.95744	0.9
81.03461	1.3
83.01398	1.6
84.63761	0.8
85.02951	3.6
87.00851	1.0
91.01902	1.3
93.03475	5.7
95.01401	1.9
95.05047	2.0
96.96010	4.4
96.99273	0.7
97.02996	0.7
101.02450	3.9
107.01393	3.8
108.02188	5.7
109.02956	4.1
111.00907	1.8
113.02457	2.1
120.99709	0.9
121.02970	1.4
122.03744	1.3
123.00948	3.8
123.04537	100.0
124.01713	0.9
124.04844	3.0
125.02460	8.6
125.46307	0.6
136.99142	1.8
137.02446	13.2
139.00357	1.2
139.04089	1.4
140.64053	0.8
151.00388	9.2
151.04022	1.2
152.01143	9.8
153.01982	4.4
153.05592	76.7
154.05951	2.8
161.02406	0.8
166.02681	1.1
167.03510	29.5
168.00677	1.1
169.01407	7.2
169.94292	0.7
177.01912	0.9
179.03574	1.3
181.05101	1.1
183.03085	1.4
187.89037	0.8
197.04607	1.0
209.04602	1.0
223.02412	0.8
237.14729	0.7
251.05293	0.9
267.01813	2.3
296.05368	3.9
297.06268	0.9
300.99875	1.0
303.05124	1.0
311.07751	77.2
312.08102	5.4
313.05707	2.5
341.08905	2.3
343.08325	2.0
343.12088	0.8
465.05841	2.1
465.10770	3.8
465.21893	2.8
466.19989	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06326	0.7
57.03450	1.2
59.01377	2.6
59.19912	0.7
62.45832	0.7
67.01902	0.8
67.88362	0.7
71.01389	8.5
71.25666	0.7
72.99308	1.0
73.02965	1.2
74.99108	0.8
75.28741	0.8
77.26605	0.8
79.95744	0.9
81.03461	1.3
83.01398	1.6
84.63761	0.8
85.02951	3.6
87.00851	1.0
91.01902	1.3
93.03475	5.7
95.01401	1.9
95.05047	2.0
96.96010	4.4
96.99273	0.7
97.02996	0.7
101.02450	3.9
107.01393	3.8
108.02188	5.7
109.02956	4.1
111.00907	1.8
113.02457	2.1
120.99709	0.9
121.02970	1.4
122.03744	1.3
123.00948	3.8
123.04537	100.0
124.01713	0.9
124.04844	3.0
125.02460	8.6
125.46307	0.6
136.99142	1.8
137.02446	13.2
139.00357	1.2
139.04089	1.4
140.64053	0.8
151.00388	9.2
151.04022	1.2
152.01143	9.8
153.01982	4.4
153.05592	76.7
154.05951	2.8
161.02406	0.8
166.02681	1.1
167.03510	29.5
168.00677	1.1
169.01407	7.2
169.94292	0.7
177.01912	0.9
179.03574	1.3
181.05101	1.1
183.03085	1.4
187.89037	0.8
197.04607	1.0
209.04602	1.0
223.02412	0.8
237.14729	0.7
251.05293	0.9
267.01813	2.3
296.05368	3.9
297.06268	0.9
300.99875	1.0
303.05124	1.0
311.07751	77.2
312.08102	5.4
313.05707	2.5
341.08905	2.3
343.08325	2.0
343.12088	0.8
465.05841	2.1
465.10770	3.8
465.21893	2.8
466.19989	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.6
57.03449	8.3
58.00595	1.3
59.01381	37.0
69.03460	11.1
69.12655	1.5
71.01390	25.8
71.05012	1.9
71.28519	2.0
82.27428	1.5
83.01388	2.1
85.02959	5.5
89.02455	32.3
93.03480	1.6
94.08609	1.1
95.01389	1.8
96.34650	1.1
101.02441	14.0
103.01614	1.2
111.08208	1.7
113.02454	13.3
119.03529	12.2
119.05034	22.9
123.08109	1.5
125.02482	4.3
127.07683	2.3
137.06079	4.9
139.11298	32.6
142.16309	1.3
143.03485	3.1
155.07202	1.4
161.04611	2.4
165.09181	2.4
167.94211	1.2
169.01465	5.0
175.03999	1.3
179.05656	3.8
183.10275	100.0
184.10606	4.0
197.11841	3.1
225.11308	2.6
248.14523	1.5
259.13513	1.4
281.10681	1.9
299.11349	9.3
390.12549	5.8
394.60483	1.4
428.37531	1.7
465.17056	2.3
465.28976	1.9
466.13220	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.4
55.79790	0.7
57.03443	1.5
58.00586	2.9
59.01382	71.5
59.86428	0.6
61.98815	1.1
66.02855	0.6
69.03455	1.0
69.16433	2.2
69.16845	2.6
71.01387	56.0
71.79294	0.7
72.97531	0.9
72.99300	3.2
73.02946	17.1
74.03267	0.7
74.99097	2.0
83.01386	2.5
85.02962	8.7
87.00875	3.3
89.02451	100.0
93.03462	1.4
95.01382	2.2
95.82730	0.7
97.02969	2.2
99.00885	23.8
101.02449	38.6
102.02785	0.8
108.02171	2.4
109.02995	2.3
111.00917	0.7
112.68035	0.8
113.02460	14.3
119.03503	12.7
120.99648	1.7
121.02945	0.7
123.00883	1.3
123.04517	3.5
124.01706	1.0
125.02464	6.5
125.06074	0.8
131.03502	15.5
135.04510	0.8
136.99150	0.9
137.02487	3.1
139.00421	1.0
139.04045	1.9
143.03534	2.9
149.04565	53.9
150.04936	1.7
151.03969	1.0
152.01173	3.5
153.01974	1.7
153.05605	2.5
155.10818	1.0
161.02478	1.4
161.04541	5.0
163.06177	1.6
167.03471	1.7
168.00624	0.7
169.01495	1.0
178.92561	0.7
179.03471	1.1
179.04204	0.7
179.05653	5.5
185.11862	0.8
191.05618	12.4
221.06676	3.9
233.06679	1.0
251.07686	5.1
271.02548	0.7
286.04617	0.8
287.04703	2.4
288.04990	1.5
289.05093	1.2
293.09009	1.4
300.02930	0.9
301.03305	1.5
302.03442	1.4
303.04117	1.4
303.08652	1.1
311.07684	1.2
317.18005	2.6
333.19168	3.5
348.30240	0.7
358.87662	0.7
397.13770	0.7
429.23947	0.7
465.09018	1.4
465.13928	3.1
465.23450	28.1
466.23679	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	465.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	5.9
58.41527	0.9
59.01382	100.0
61.98819	1.3
69.77727	4.1
71.01382	20.2
72.06535	0.8
73.02947	0.9
75.00856	0.9
78.95892	1.1
79.63824	1.1
85.02966	2.6
87.00865	1.2
89.02449	37.4
95.01393	2.2
96.96988	1.8
98.21826	1.1
101.02448	10.5
104.56486	1.2
110.25996	1.0
113.02467	10.4
115.40950	0.9
119.03505	16.7
123.00842	1.0
125.02458	3.5
131.03510	1.9
134.07346	1.8
137.09703	1.1
141.05560	1.1
143.03505	2.7
148.87495	1.0
149.02403	1.0
149.04536	1.0
149.09718	19.0
151.00336	1.3
153.01910	1.5
161.04584	4.9
167.10786	34.0
168.11168	2.0
169.01469	2.2
179.05640	11.5
183.71529	1.0
207.13895	2.1
225.14964	5.9
285.04218	2.1
300.99759	1.2
303.05145	1.5
402.10852	1.0
405.21283	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	465.2643
Annotation	Ramiflorine A
Peak:m/z	Relative Intensity
60.99310	1.0
61.98820	0.9
68.89331	1.0
69.89844	0.9
69.90195	3.0
78.95901	1.0
98.21844	1.0
109.02953	0.8
114.44105	0.8
137.06058	0.9
152.99593	1.2
161.06148	1.1
177.89699	0.8
186.06876	1.6
187.07649	17.3
197.00430	0.9
199.07730	1.6
200.08350	1.0
307.16864	1.4
321.18423	1.8
350.95050	0.9
357.18384	2.0
373.21719	6.7
387.23209	1.9
388.24069	10.5
389.24753	2.9
391.22717	1.1
403.26373	6.8
405.24326	1.9
406.25040	0.9
420.23236	1.1
421.31567	5.2
450.24512	1.1
465.26471	100.0
466.26828	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	465.3015
Annotation	Mastigophorene A
Peak:m/z	Relative Intensity
71.27795	1.3
87.41522	0.9
115.25336	0.9
151.07571	1.1
211.47530	1.0
389.24753	5.7
403.26080	1.5
404.27029	1.8
405.27945	2.1
419.29593	85.9
420.29913	11.9
421.31143	6.2
465.30124	100.0
466.30411	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	465.3225
Annotation	Varanic acid
Peak:m/z	Relative Intensity
50.35170	4.0
55.01873	12.3
57.20985	2.8
57.29267	3.0
57.48294	3.0
58.88077	3.0
59.01378	4.2
71.01379	10.0
71.42622	3.2
74.29546	3.4
84.51161	3.4
93.69240	3.3
98.21712	6.5
102.86631	3.5
109.06606	4.2
116.92893	5.8
141.54355	3.0
145.14308	2.9
181.12222	4.6
238.97804	3.6
331.30042	57.3
332.30313	4.3
352.76566	4.0
357.31537	4.4
359.33267	15.0
375.29025	58.4
376.29315	5.9
377.34311	9.2
403.32135	27.3
404.32565	4.6
447.31189	93.0
448.31201	5.7
465.32224	100.0
466.32495	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	466.0285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22137	1.3
59.01364	4.0
59.01851	1.1
61.98837	14.1
65.00337	1.7
65.22703	1.1
68.23300	1.1
69.03458	1.3
69.28057	3.1
69.28464	3.9
71.01380	3.7
83.01378	1.4
84.44269	1.0
85.02946	1.8
89.02459	3.2
91.01907	1.7
91.61712	1.0
95.01391	5.2
101.02467	2.8
107.01398	3.2
108.02192	22.4
109.02981	89.1
110.03297	28.5
111.00873	3.9
113.02493	1.5
119.05033	1.4
120.99675	2.2
123.00891	7.7
123.04522	6.8
124.01663	2.5
124.04860	2.8
125.02477	10.8
137.02440	1.4
139.00357	8.1
140.01129	2.1
141.01897	1.3
145.02931	2.8
147.04526	1.3
151.00392	7.5
151.04005	7.8
152.01166	22.6
152.04370	4.0
153.01959	76.8
154.01167	1.0
154.02290	27.0
155.03505	1.5
157.03053	1.5
161.02467	2.2
163.00417	2.0
163.03899	2.5
164.98288	1.9
165.01874	1.4
166.99837	3.4
167.03532	11.4
167.04837	2.4
168.00696	2.2
168.03867	5.9
169.01408	11.0
173.02451	2.2
175.04048	1.9
177.01952	2.5
178.99873	2.8
181.01462	7.0
185.02434	1.8
189.01935	3.3
191.03630	2.6
193.69197	1.5
195.03004	1.3
201.01933	3.5
203.03584	1.9
213.01851	2.2
217.01344	3.5
220.94113	1.4
221.00970	1.2
229.01408	6.7
230.01927	1.1
231.03032	2.9
249.03798	1.4
257.00949	4.7
261.00458	1.3
272.02814	1.8
273.00461	1.6
275.02029	12.9
276.02304	1.3
285.00470	2.5
297.06238	2.1
298.06580	2.4
299.99088	2.2
300.99933	26.9
301.03271	2.1
302.00278	4.1
304.05472	1.5
311.08047	2.9
315.07211	5.4
316.07593	9.1
317.02612	3.2
318.02676	1.8
319.03110	3.1
357.06384	1.6
375.01926	1.9
379.12198	7.5
382.02505	3.2
391.03067	2.6
443.02686	1.3
450.99472	3.9
457.02036	1.7
458.15741	1.1
465.10477	9.3
466.02908	29.8
466.10638	100.0
466.53088	12.0
467.04587	1.5
467.10925	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	466.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80021	0.4
55.01865	0.7
59.01377	4.2
61.98847	0.6
65.00317	0.4
65.50059	0.3
67.01893	1.1
71.01389	4.9
72.99296	0.9
73.02947	2.0
75.00880	0.4
79.01887	0.9
83.01378	1.5
85.02955	2.8
85.03394	0.5
89.02435	1.3
95.01395	2.2
97.02946	1.0
99.00875	2.0
101.02435	3.6
105.33901	0.3
107.01396	3.6
109.02910	0.4
111.00900	3.0
113.02487	1.9
123.00896	14.4
124.01683	1.2
125.02456	15.4
127.00368	0.9
132.08028	0.4
136.98848	1.7
137.02467	0.8
139.00377	6.5
140.01157	4.8
141.01949	1.8
151.00371	10.5
151.04021	0.4
153.01941	0.8
161.04588	0.7
166.76607	0.4
166.99770	0.5
168.00638	5.6
169.01431	19.6
179.03528	0.5
181.05052	0.4
186.99825	0.4
207.67207	0.3
211.02457	6.1
231.18211	0.4
271.04572	4.1
291.18158	2.6
313.05676	0.9
348.26260	0.7
390.12366	1.8
390.62708	0.7
423.22397	3.4
424.22720	0.5
466.12408	0.7
466.18948	1.8
466.29068	1.0
466.63086	0.4
467.19214	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19833	3.8
56.14215	3.6
61.98833	100.0
71.29953	4.9
71.50993	3.3
78.95907	4.6
89.14342	4.2
94.02725	4.0
96.96023	5.8
125.02482	7.1
169.01384	6.1
240.04272	4.9
255.06728	4.5
443.50833	4.0
453.82800	3.9
466.24976	5.2
467.08353	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	467.083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.6
69.03460	1.5
71.01387	4.0
73.02936	1.0
77.32029	0.8
79.01900	0.9
83.01378	1.6
85.02954	2.1
87.00868	1.1
90.71675	0.8
91.53679	1.0
95.01412	2.5
97.02931	1.4
101.02446	2.7
104.90376	0.8
106.33012	0.9
107.01384	6.4
108.02183	30.1
109.02968	24.8
110.03296	1.0
111.00879	2.2
113.02435	1.6
123.00890	9.7
124.63055	0.9
125.02464	30.6
127.00423	0.9
135.00909	1.3
136.98810	1.2
137.02435	2.4
139.00380	4.0
140.01189	2.1
141.01903	1.1
141.94795	0.9
145.02872	1.1
151.00368	6.8
151.03984	1.2
152.01172	34.0
153.01941	17.7
161.02382	1.4
165.01964	1.6
168.00626	3.1
169.01434	39.6
170.01776	1.5
173.02383	1.7
179.03477	1.6
193.01468	2.2
193.98605	4.7
275.02063	2.1
282.27475	1.0
289.06879	1.3
297.06369	1.1
300.99976	4.6
302.00140	1.4
305.06613	2.9
313.05682	7.4
315.07269	23.2
423.09372	23.1
424.09619	2.6
449.07550	2.6
467.08350	100.0
468.08728	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	467.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65759	0.6
59.28571	0.8
69.12052	5.8
71.01380	1.6
79.01899	1.2
81.03474	0.8
84.50454	0.8
85.02946	1.2
95.01363	1.5
97.02963	0.8
98.21802	1.6
101.02475	1.1
107.01399	5.2
108.02187	20.5
109.02969	8.9
123.00890	7.4
123.04575	1.3
124.51015	0.7
125.02457	19.1
139.00345	1.7
140.01144	1.3
143.13141	0.8
151.00352	4.0
152.01169	22.8
153.01933	5.9
153.05502	1.0
168.00627	2.4
169.01433	21.5
193.98618	3.7
217.04977	0.8
272.35672	0.8
313.05695	5.8
315.07230	12.6
423.09351	24.6
424.09647	1.2
445.82230	0.8
449.07330	2.2
467.08289	100.0
468.08536	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	467.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.5
61.98812	1.2
69.03406	0.8
69.21678	1.8
69.22102	3.5
71.01363	2.0
71.73885	0.8
73.08849	0.7
77.01167	0.7
81.91215	0.7
91.01965	0.7
91.82561	1.0
95.01392	2.0
96.95989	0.9
100.41878	0.8
107.01401	4.0
108.02187	10.0
109.02959	95.1
110.03294	3.0
112.65257	0.8
123.00892	5.9
123.04485	1.9
124.01674	1.3
125.02455	25.8
139.00417	1.0
144.23201	0.8
151.00340	2.5
151.04030	1.7
151.99985	1.2
152.01160	17.5
153.01953	100.0
154.02260	2.6
165.01862	1.0
169.01439	26.1
177.01958	0.9
193.98586	1.9
194.99275	1.1
199.36728	0.8
229.01427	1.0
275.01929	2.7
284.01535	0.8
300.99939	2.0
305.06674	1.4
313.05521	6.4
315.07224	88.6
316.07489	5.3
366.49249	0.8
391.03183	1.1
423.09375	11.2
424.09976	0.9
449.07443	1.2
467.08292	76.1
468.08551	8.7
484.23346	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.9
68.98412	0.8
68.98949	6.0
68.99261	0.9
69.03421	0.9
71.01374	3.5
74.61820	0.6
75.57789	0.6
79.01871	1.7
81.03465	1.0
82.84032	0.6
85.02930	1.5
95.01350	1.0
96.36118	0.7
97.02936	1.1
98.57615	0.6
101.02431	1.8
107.01391	5.8
108.02187	27.1
109.02969	14.5
110.03317	0.8
111.00871	1.9
113.02441	1.8
121.02969	0.7
123.00883	9.7
123.04510	4.5
124.01684	1.5
125.01543	1.4
125.02458	26.7
135.00873	1.0
136.98817	0.9
139.00389	3.8
140.01141	2.5
141.01895	1.2
151.00372	6.4
151.03987	0.8
152.01160	31.3
152.02396	1.6
153.01964	8.5
153.05591	3.8
163.73973	0.9
168.00633	2.8
169.01442	33.7
170.01775	1.4
193.98573	5.4
211.02608	1.1
225.04012	0.7
261.34909	0.7
313.05679	9.3
315.07187	13.6
390.51028	0.9
423.09338	22.4
424.09680	2.3
449.07181	1.9
467.08154	100.0
468.08456	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	467.083
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63044	0.8
59.01354	2.1
61.98845	0.9
69.03431	2.7
71.01359	2.7
71.29226	1.1
81.03465	2.1
83.01358	2.0
83.59695	0.8
85.02918	3.9
88.31312	0.8
93.03403	1.0
95.01357	3.8
96.95979	1.4
96.96937	1.7
97.02918	2.6
107.01343	2.8
108.02193	15.5
109.02271	1.7
109.02962	29.1
109.04118	1.2
111.00851	1.0
120.99622	1.2
121.02933	1.8
122.03683	0.8
123.00893	11.7
123.04514	2.2
124.00908	1.4
124.01687	18.0
125.02458	38.6
133.03015	1.7
136.99112	1.4
137.02448	7.2
138.03157	2.0
139.00363	1.5
149.99605	28.8
151.00446	5.6
151.03967	2.1
152.01134	3.3
153.01955	49.6
153.05482	2.2
154.02271	1.7
161.02383	1.8
165.01814	1.2
167.03462	2.7
168.00655	59.4
169.01442	19.7
177.01932	2.2
179.03496	1.4
183.02953	1.1
202.23012	1.1
211.02316	1.1
243.02873	2.3
275.01852	1.0
300.99686	1.9
301.39438	1.0
313.05685	21.0
314.05801	0.9
315.07275	1.1
331.06723	23.6
332.06851	2.2
387.77451	0.9
389.10233	2.3
391.02789	1.0
404.12042	0.9
413.85989	0.9
419.15082	4.7
449.07034	1.2
467.08075	100.0
468.08438	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	467.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	7.7
69.03437	2.6
71.01384	7.9
73.02952	3.0
79.01879	2.2
83.01394	2.7
85.02958	5.3
89.02465	3.0
95.01395	3.8
97.02945	4.1
101.02435	9.0
107.01392	12.9
108.02186	24.7
109.02962	13.8
111.00901	4.6
113.02473	5.2
123.00903	20.2
123.04528	64.2
124.01701	3.3
125.02456	76.2
136.98790	2.1
139.00375	6.4
139.04054	2.1
140.01146	5.5
141.01982	1.9
151.00368	11.3
152.01144	26.2
153.01997	10.0
153.05583	59.0
157.64517	1.7
160.04039	17.4
161.02498	2.5
161.04378	13.4
165.02190	2.0
168.00702	6.5
169.01430	100.0
170.01808	3.3
177.02013	2.0
193.01358	2.4
193.98584	4.5
275.01981	3.3
276.92838	1.7
299.99142	1.9
300.99850	7.2
313.05627	52.2
314.06055	5.0
315.07327	12.4
391.03104	2.5
423.09296	17.6
431.15387	4.6
449.07407	2.8
450.05182	2.2
467.07837	41.8
467.12323	54.5
467.21494	2.7
468.13107	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	467.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	7.7
69.03437	2.6
71.01384	7.9
73.02952	3.0
79.01879	2.2
83.01394	2.7
85.02958	5.3
89.02465	3.0
95.01395	3.8
97.02945	4.1
101.02435	9.0
107.01392	12.9
108.02186	24.7
109.02962	13.8
111.00901	4.6
113.02473	5.2
123.00903	20.2
123.04528	64.2
124.01701	3.3
125.02456	76.2
136.98790	2.1
139.00375	6.4
139.04054	2.1
140.01146	5.5
141.01982	1.9
151.00368	11.3
152.01144	26.2
153.01997	10.0
153.05583	59.0
157.64517	1.7
160.04039	17.4
161.02498	2.5
161.04378	13.4
165.02190	2.0
168.00702	6.5
169.01430	100.0
170.01808	3.3
177.02013	2.0
193.01358	2.4
193.98584	4.5
275.01981	3.3
276.92838	1.7
299.99142	1.9
300.99850	7.2
313.05627	52.2
314.06055	5.0
315.07327	12.4
391.03104	2.5
423.09296	17.6
431.15387	4.6
449.07407	2.8
450.05182	2.2
467.07837	41.8
467.12323	54.5
467.21494	2.7
468.13107	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	467.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	7.7
69.03437	2.6
71.01384	7.9
73.02952	3.0
79.01879	2.2
83.01394	2.7
85.02958	5.3
89.02465	3.0
95.01395	3.8
97.02945	4.1
101.02435	9.0
107.01392	12.9
108.02186	24.7
109.02962	13.8
111.00901	4.6
113.02473	5.2
123.00903	20.2
123.04528	64.2
124.01701	3.3
125.02456	76.2
136.98790	2.1
139.00375	6.4
139.04054	2.1
140.01146	5.5
141.01982	1.9
151.00368	11.3
152.01144	26.2
153.01997	10.0
153.05583	59.0
157.64517	1.7
160.04039	17.4
161.02498	2.5
161.04378	13.4
165.02190	2.0
168.00702	6.5
169.01430	100.0
170.01808	3.3
177.02013	2.0
193.01358	2.4
193.98584	4.5
275.01981	3.3
276.92838	1.7
299.99142	1.9
300.99850	7.2
313.05627	52.2
314.06055	5.0
315.07327	12.4
391.03104	2.5
423.09296	17.6
431.15387	4.6
449.07407	2.8
450.05182	2.2
467.07837	41.8
467.12323	54.5
467.21494	2.7
468.13107	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	467.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00317	0.5
58.63485	0.7
65.89835	0.7
67.01885	1.8
68.65121	0.5
69.03442	1.1
69.23353	2.9
69.23766	0.8
71.01398	4.5
73.02950	0.7
73.74511	0.5
79.01906	2.0
83.01399	1.7
85.02943	1.9
88.22496	0.5
95.01403	3.9
97.02958	1.0
98.21864	0.8
99.00911	0.5
101.02453	1.1
107.01394	10.5
107.10051	0.5
109.02981	0.8
111.00890	3.8
113.02473	0.8
123.00893	34.0
124.01731	5.5
125.02454	43.9
126.02798	1.4
127.00394	1.3
136.98799	1.9
137.02524	0.5
138.03238	19.9
139.00389	7.6
139.03986	2.3
140.01173	4.6
141.01952	1.7
151.00388	7.8
153.01959	1.5
153.05562	3.6
166.99834	0.6
168.00642	6.0
169.01440	43.0
170.01822	1.9
182.02277	0.9
183.02971	5.0
211.02441	1.0
225.04225	0.6
231.22151	0.5
241.03647	0.7
241.67877	0.6
297.06107	1.2
313.05676	12.0
314.06036	0.9
327.07285	2.7
391.03287	0.6
452.09717	0.7
467.11966	100.0
468.12311	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	467.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98487	0.7
52.98748	0.8
55.01865	0.9
55.59518	0.8
57.03451	4.4
59.01370	3.3
69.03458	6.6
69.06615	6.1
70.54932	0.8
71.01035	1.3
71.01391	18.0
71.05003	1.9
73.02947	4.7
78.23241	0.8
83.01387	2.8
85.02962	6.0
89.02455	1.3
95.01390	4.9
97.02963	0.9
99.00887	1.7
101.02455	12.0
104.53905	0.8
111.00918	1.1
111.08200	0.9
113.02452	8.1
113.60258	0.8
123.00900	58.0
123.04543	0.9
124.01676	100.0
125.02053	2.7
132.75476	0.8
137.02531	0.9
138.03233	9.0
139.04025	71.2
139.11299	22.1
140.04369	2.0
140.11626	1.1
143.03462	1.9
153.01985	1.2
158.10565	0.8
159.03006	1.5
161.04568	17.5
163.03955	0.8
165.05472	0.8
183.10277	61.8
184.10603	3.6
242.35695	0.8
257.67279	0.8
283.08130	1.2
319.50467	0.9
356.00424	0.8
467.19217	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1923
Annotation	Atticin
Peak:m/z	Relative Intensity
59.01384	3.1
67.01867	0.9
71.01368	2.8
73.02952	0.7
76.46084	0.6
79.01892	0.9
83.01392	1.3
85.02941	1.3
91.66223	0.6
95.01393	1.8
98.22569	1.1
101.02447	2.3
107.01377	3.9
110.00056	0.6
111.00905	2.3
113.02439	1.2
114.48305	0.5
123.00022	0.9
123.00898	14.5
124.01658	1.3
124.30350	0.6
125.02454	15.8
127.00404	1.1
128.25562	0.5
135.72182	0.5
136.98827	2.0
139.00378	4.9
140.01219	4.4
141.01938	1.9
151.00371	9.7
153.01985	0.7
155.27686	0.6
168.00659	5.6
169.01434	19.4
211.02493	7.3
271.04626	3.9
309.09753	0.6
313.05798	0.9
321.29233	0.7
461.27707	0.5
467.19241	100.0
468.19543	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	467.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.4
59.01382	2.7
63.30619	0.4
67.01888	1.2
67.58337	0.4
68.54718	0.4
68.99806	0.4
69.03445	0.7
69.65225	1.3
71.01387	2.8
72.99301	0.5
73.02944	1.0
79.01899	1.1
83.01390	1.2
83.47044	0.5
85.02957	2.0
87.00851	0.6
88.50249	0.4
89.02489	0.4
95.01407	1.4
96.99312	0.7
97.02940	0.5
101.02457	3.3
107.01402	3.4
111.00886	3.8
113.02457	1.6
114.37128	0.4
121.02950	0.7
123.00896	15.6
123.04508	0.5
124.01643	1.6
125.02454	18.9
126.02791	0.6
127.00381	1.7
136.98798	2.1
137.02376	0.4
139.00369	6.2
140.01184	6.2
141.01915	2.2
151.00378	11.6
151.04051	0.5
168.00670	6.8
169.01433	30.0
170.01738	0.9
179.03502	1.0
181.05098	1.0
197.04684	0.4
211.02530	1.7
217.47929	0.4
223.02469	0.5
271.04684	0.6
305.13940	0.8
313.05652	2.3
453.88202	0.5
467.19226	100.0
468.19559	11.3
493.25967	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01352	1.4
77.36415	0.8
79.95736	3.9
83.01371	1.0
107.01377	2.0
108.02158	1.2
109.02960	14.1
111.00888	2.1
123.00890	3.3
124.01663	3.4
125.02426	3.0
127.11284	3.8
135.00853	2.3
139.00363	1.1
143.10783	2.5
152.01170	1.8
153.01938	13.3
155.10803	1.9
157.12320	3.3
169.01378	1.7
171.10254	2.2
178.06393	2.7
193.08672	3.3
268.73740	1.3
295.22607	1.5
313.23782	10.8
329.23312	2.2
331.24905	73.3
332.25256	4.8
423.28497	1.4
448.13779	1.1
449.25571	5.8
467.26514	100.0
468.26831	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	467.3166
Annotation	3,11-Dioxoolean-12-en-28-oic acid
Peak:m/z	Relative Intensity
50.68795	1.3
57.03431	2.3
67.75078	1.1
70.86793	1.3
74.48115	1.2
78.95905	2.3
82.32068	1.2
82.32561	1.3
83.05033	27.4
93.03435	1.7
109.06583	5.0
152.99609	2.5
187.09761	2.9
241.76071	1.4
297.24579	1.6
381.28079	2.4
407.29446	2.9
408.30206	1.8
423.32730	58.2
423.38507	3.1
424.33142	6.8
439.32254	1.5
449.30634	1.9
467.31549	100.0
468.31970	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	467.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61004	0.5
59.91343	0.5
69.32345	0.5
70.62357	1.0
71.28115	0.6
110.85738	0.9
127.19001	0.6
201.44351	0.6
205.76883	0.6
253.04622	0.5
287.20218	1.2
391.26392	4.8
391.78885	0.6
392.26700	1.1
405.28033	3.1
407.29678	4.6
421.31149	83.6
422.31491	10.2
423.32739	3.5
447.64578	0.6
467.31689	100.0
468.32089	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	467.3151
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45258	0.2
52.67764	0.3
57.03442	0.8
69.09131	1.2
69.09540	0.5
75.90813	0.2
83.02913	0.2
83.05025	0.5
86.29427	0.2
89.27660	0.2
97.06573	1.6
98.20441	0.2
98.21796	0.5
149.88560	0.2
150.36888	0.2
198.91537	0.2
199.13342	0.4
309.22250	0.4
323.23849	0.3
324.03262	0.2
335.23724	0.3
377.28610	0.4
379.85535	0.2
385.23029	0.3
389.28439	0.3
391.26013	0.3
393.31546	0.5
405.31680	0.6
407.29285	0.4
421.31171	4.5
422.31439	0.7
423.32675	6.8
424.33115	0.9
467.31665	100.0
468.32028	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	467.3166
Annotation	Tyromycic acid D
Peak:m/z	Relative Intensity
59.73412	0.4
91.26815	0.4
95.72020	0.4
96.42831	0.4
144.04494	0.4
171.10257	3.6
313.23785	0.6
332.65591	0.4
338.46234	0.4
421.31128	1.4
423.32962	0.5
467.31665	100.0
468.31992	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	467.317
Annotation	Oncostemonol H
Peak:m/z	Relative Intensity
50.85635	0.4
58.35559	0.4
69.12225	0.7
69.12633	2.3
98.21826	0.8
149.58035	0.4
150.63895	0.3
152.99588	0.8
165.61584	0.4
176.00092	0.4
228.91811	0.4
264.11029	0.4
372.74069	0.4
439.31934	1.0
467.31665	100.0
468.32040	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	467.3171
Annotation	Oncostemonol H
Peak:m/z	Relative Intensity
53.22379	3.1
64.54155	3.3
66.14667	3.3
69.32802	20.8
91.79106	3.7
99.68158	3.3
212.07695	4.4
241.26283	3.4
273.38382	3.5
314.34128	4.1
389.28571	10.7
401.76315	3.7
405.31647	39.0
406.31940	5.8
407.29675	8.2
437.30634	5.2
454.30847	9.8
467.31677	100.0
468.31894	12.9
488.57892	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	468.115
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46748	0.5
53.15161	0.4
53.66056	0.5
59.01378	0.6
61.98835	100.0
69.03468	0.7
69.81821	0.6
70.85904	1.0
71.01388	1.0
80.91701	1.0
93.03487	0.6
95.01411	1.2
96.96021	11.7
107.01421	1.1
108.02193	0.6
109.03040	0.7
113.02450	0.6
113.92690	0.8
114.93465	1.6
118.96703	0.6
120.99690	1.8
121.02984	3.1
123.00928	1.2
125.02467	6.0
149.31859	0.5
155.94006	0.7
169.01419	7.1
170.01851	1.0
183.93436	0.7
194.99919	0.7
222.99263	0.7
229.01497	1.3
231.03090	0.8
243.06667	3.4
245.00909	0.7
246.99303	1.1
249.06282	1.3
257.00900	0.6
270.98883	1.0
274.01059	0.6
275.02097	1.2
298.98486	2.1
299.99075	6.4
300.02020	0.6
300.10065	0.6
300.99908	11.6
301.10583	1.4
302.00366	1.8
315.12589	1.9
316.12698	3.2
328.12772	0.6
345.98730	1.3
347.03171	1.2
371.09949	2.0
391.53339	2.0
392.03885	2.2
392.54312	0.6
409.04602	5.2
425.01581	1.1
468.03271	0.7
468.08542	3.0
469.04367	0.7
469.34183	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.9
61.17932	0.6
61.98834	100.0
69.82134	2.0
71.01402	0.7
95.01431	0.5
109.03025	0.8
123.00922	0.8
125.02454	4.8
126.02858	0.8
135.24332	0.6
143.15021	0.8
161.02364	0.8
165.01964	0.9
169.01465	4.4
170.01784	1.5
185.02556	0.6
193.01428	0.7
194.01851	0.7
202.32529	0.7
240.08292	0.6
275.02066	2.5
276.02393	1.4
286.10486	0.6
298.98315	0.9
300.99976	3.1
302.28119	0.6
467.54092	1.2
468.08554	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.005
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69454	0.7
55.01855	0.7
59.01386	5.9
59.49769	0.7
61.87768	0.6
61.98814	0.7
67.01900	0.7
69.03461	1.0
69.11630	1.4
69.12027	4.3
71.01383	8.2
72.99266	0.7
73.02941	2.8
83.01378	1.4
85.02971	3.7
87.00874	1.5
89.02447	2.9
90.80437	0.7
93.03440	0.8
95.01394	8.0
97.02971	0.9
99.00879	0.9
101.02442	6.4
107.01399	1.8
108.02231	1.5
109.02972	1.3
111.00866	1.4
111.04547	1.2
113.02451	2.6
114.22733	0.7
119.03465	1.9
120.99673	2.1
122.03753	0.8
123.00885	10.7
123.04514	2.7
125.02462	9.6
126.02845	0.9
129.03601	0.6
132.02141	0.9
137.02470	1.2
139.00365	2.0
143.03510	1.0
145.02951	1.1
147.00818	0.7
151.00378	4.4
152.01167	1.3
153.01927	1.6
155.03473	0.7
157.02979	1.0
161.04536	2.7
163.04002	1.0
166.99852	15.9
169.01431	11.4
170.01799	1.6
172.01675	2.3
173.02344	1.6
173.04567	0.7
179.03497	0.9
185.02382	2.3
195.06508	1.0
200.01140	2.1
201.01889	2.2
214.99774	0.9
216.00635	2.4
225.32573	0.7
226.99860	0.8
228.00655	2.6
229.01453	4.4
242.99394	4.5
244.00139	3.2
245.00912	2.1
254.99342	1.1
257.00903	2.3
270.98868	14.5
271.04590	1.5
271.99503	4.4
282.98788	2.7
283.99570	3.0
285.00342	1.2
298.98337	27.2
299.99088	41.9
300.99887	100.0
302.00226	7.3
307.17664	6.8
341.67935	0.7
425.01477	7.3
425.14459	1.1
450.99460	7.9
469.00342	6.4
469.12006	3.1
469.17703	1.5
469.22955	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	469.0062
Annotation	Unknow
Peak:m/z	Relative Intensity
58.34256	0.6
58.86159	0.6
59.01379	1.8
68.98986	0.6
69.47518	1.5
69.47924	3.0
71.01371	1.3
73.16680	0.6
77.07900	0.7
81.03551	0.6
81.15524	0.6
85.02950	0.8
87.00887	0.8
95.01392	4.3
101.02448	1.4
107.01389	1.4
108.02199	3.3
109.03060	1.2
113.02498	0.8
123.00893	8.0
123.04575	1.0
125.02471	4.7
126.02737	1.0
132.02190	1.2
137.02496	0.8
139.00356	1.3
145.02878	0.9
151.00406	3.5
152.01122	2.5
153.01546	1.3
153.05580	0.9
154.01588	1.1
156.91176	0.5
165.01917	2.8
166.90886	0.6
166.99863	13.9
168.00606	1.0
169.01436	5.0
170.01756	1.4
171.01894	0.9
172.01633	3.0
173.02411	1.3
179.03513	0.7
180.04271	2.0
185.02448	2.6
187.00336	0.8
195.06618	3.4
196.65106	0.7
200.01147	1.6
201.01967	1.7
214.99901	1.3
216.00606	2.8
217.01288	1.3
225.07753	1.4
226.99889	1.0
228.00624	2.7
229.01385	2.9
242.99411	3.5
244.00125	2.7
245.00816	1.3
254.99274	0.8
257.00900	1.6
270.98883	14.9
271.01703	0.5
271.99640	3.0
282.98822	2.6
283.99567	2.8
285.00302	1.2
289.07077	0.6
298.98334	26.0
299.99103	51.9
300.99893	100.0
302.00223	5.8
317.07495	1.2
323.02313	0.8
357.53342	0.6
407.00577	2.2
425.01514	6.6
425.09988	2.3
450.99396	6.6
468.08783	1.8
469.00607	6.6
469.08859	13.0
469.22253	1.5
470.00220	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.0061
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.2
57.03449	1.1
59.01376	11.6
65.19809	1.0
65.27909	1.0
69.79025	2.9
70.99614	1.6
71.01392	16.2
72.99323	1.1
73.02950	6.8
80.92284	1.1
83.01399	3.9
85.02947	8.8
86.03365	1.1
87.00877	2.4
89.02448	5.5
93.85954	0.9
95.01382	6.2
97.02979	1.2
99.00881	2.5
101.02449	16.6
107.01408	2.6
108.02222	4.9
109.02946	4.0
111.00910	3.7
111.08153	1.4
113.02461	9.9
114.05659	1.0
116.91373	1.1
119.03490	1.4
123.00885	7.0
123.04538	6.5
124.04866	1.8
125.02449	11.4
126.02767	3.0
132.02242	1.2
135.04573	1.5
136.99109	1.7
137.02454	4.0
139.00407	2.3
139.12923	1.2
151.00401	3.1
152.01161	2.3
153.01920	1.3
153.05585	6.4
154.05963	2.5
156.06648	1.7
160.01627	1.4
161.04520	6.3
165.01941	25.0
166.99902	7.9
169.01424	11.1
170.01778	4.0
171.01947	2.9
172.01686	6.4
173.08240	1.4
179.03543	2.8
180.04297	13.2
185.02428	2.5
188.01172	1.5
195.06633	27.8
196.07051	1.3
199.00415	1.1
200.01163	2.0
201.01965	3.0
210.05359	2.1
214.99863	1.5
216.00638	4.4
225.07687	12.6
226.99890	2.1
228.00673	6.9
229.01410	3.6
235.07973	1.2
242.99368	4.1
244.00186	6.4
245.00905	1.6
257.00867	2.0
269.10403	2.0
270.98856	15.8
271.99600	7.9
282.98907	5.0
283.99634	2.9
285.00439	2.3
289.07324	3.1
298.98373	30.1
299.99118	89.8
300.99878	100.0
302.00168	8.3
307.17529	7.2
313.05850	1.4
314.06067	1.6
315.06342	2.6
317.07858	1.4
337.18698	1.6
407.00571	1.2
425.01541	13.1
425.09982	2.6
431.15530	4.2
450.99533	4.1
451.99597	1.4
468.12738	2.1
469.00430	2.8
469.08569	5.7
469.14120	6.9
469.22952	32.6
470.23138	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.0523
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.4
57.03436	1.6
59.01381	41.5
61.98820	2.0
67.01896	1.7
69.03461	2.5
69.13161	3.8
69.13580	2.4
71.01389	23.7
73.02947	9.9
79.01898	2.2
80.46878	0.8
81.03465	2.3
83.01402	7.0
85.02953	11.8
85.11092	0.7
87.00888	1.8
89.02443	4.9
95.01421	4.7
96.96012	0.9
97.02967	5.0
99.00871	4.0
101.02452	29.3
107.01402	9.1
108.02196	17.3
109.02989	8.3
111.00900	2.2
113.02459	10.4
119.03526	1.7
121.02959	1.3
122.03781	0.8
123.00877	9.7
123.04523	2.2
124.01697	1.6
125.02457	75.5
126.02801	4.6
129.01930	0.8
137.02478	1.6
139.00407	2.7
140.01254	1.1
141.01933	1.3
143.03493	1.3
149.02403	1.0
151.00433	1.1
151.04012	1.8
152.01169	11.2
153.01965	4.1
157.08757	1.4
161.04570	8.9
163.06154	1.5
165.02014	1.0
166.99895	4.2
168.00613	3.1
169.01437	100.0
170.01776	7.0
175.04021	1.0
179.03471	0.8
183.86629	0.8
193.05196	1.0
207.02946	1.7
211.02437	1.9
217.05067	0.8
241.03618	3.5
242.99188	0.9
263.15002	41.4
264.15378	1.8
270.98804	1.1
277.03519	1.5
289.07114	2.9
295.04770	1.0
299.99081	3.3
300.99893	2.7
308.03571	1.8
313.05469	1.3
313.99011	0.8
317.04129	6.4
393.04654	8.1
393.54822	2.5
409.20813	48.9
410.21188	3.7
431.06296	1.5
433.20810	1.9
447.05685	2.2
465.06534	1.7
469.05490	6.2
469.17487	15.9
469.55231	2.0
470.15955	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	4.5
69.26293	3.3
69.26688	2.0
71.01365	2.7
79.01871	1.6
83.01398	1.8
83.62363	0.8
95.01385	2.2
96.96031	2.4
97.02955	1.0
101.02414	1.7
107.01400	8.9
108.02175	1.2
109.02962	4.2
111.00907	6.1
113.02480	1.5
118.81381	0.7
119.92945	0.8
123.00884	7.7
124.01658	2.5
125.02461	41.5
126.02779	1.4
127.00266	0.8
136.98863	1.3
137.02464	3.0
139.00389	23.9
139.04054	1.3
140.01169	70.5
141.01855	2.5
151.00386	5.9
153.01952	5.2
154.02728	6.9
155.03520	68.8
156.03908	1.8
162.37584	0.8
162.46193	0.8
165.01968	6.0
167.03485	2.4
168.00650	7.8
169.01434	55.5
170.01675	2.0
177.02029	1.4
179.03516	1.3
180.04253	2.6
187.68434	0.9
195.03052	1.1
195.06598	5.5
197.04411	1.0
211.02463	2.0
223.02641	1.3
225.07750	1.4
241.03490	1.1
255.84734	0.8
271.04611	3.2
297.06244	2.4
298.98361	1.3
299.99142	3.2
300.99985	3.3
303.07199	3.8
309.79428	0.8
313.05658	26.0
314.06100	1.6
317.08795	14.2
366.00208	0.9
469.09869	100.0
470.10208	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	469.1177
Annotation	Shogasulfonic acid D
Peak:m/z	Relative Intensity
50.76292	0.2
57.60430	0.2
59.01379	0.3
61.98836	0.4
71.01385	0.3
71.29682	0.2
75.89990	0.2
76.90343	0.2
78.95886	0.2
79.95742	8.4
80.96528	0.2
83.01382	0.2
93.61193	0.2
95.01438	0.2
95.95278	0.2
96.96018	100.0
97.95914	0.2
101.02430	0.2
109.02959	0.3
110.97578	0.8
119.05035	0.2
123.00925	0.5
123.04521	0.4
125.02524	0.8
135.04498	0.2
135.42392	0.2
139.00359	0.3
139.03999	0.2
140.01076	0.2
147.04492	0.2
147.87904	0.1
151.00377	0.3
152.01143	0.3
167.03510	0.6
169.01495	0.8
175.65891	0.2
181.05051	0.3
229.31879	0.2
242.09485	0.2
270.08884	0.4
270.98865	0.2
284.06976	0.2
285.11456	0.3
286.08505	0.2
288.13495	0.2
298.98352	0.4
299.09387	0.8
299.99051	1.3
300.99759	1.1
301.10675	0.2
311.09647	0.2
314.07834	0.9
329.10333	1.7
344.12671	2.3
345.13123	0.4
359.15228	0.3
454.09113	0.2
469.11746	33.4
469.17206	1.4
470.05582	0.3
470.12057	3.4
474.82590	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1297
Annotation	Parvifolol A
Peak:m/z	Relative Intensity
50.62947	0.7
52.09542	0.7
55.20420	0.7
56.12033	0.8
57.03453	62.2
59.01385	12.8
69.76934	1.3
69.77317	1.7
71.01379	5.0
73.02943	1.2
81.03475	0.8
83.01407	1.4
85.02970	2.3
93.03463	4.3
96.96023	11.4
98.21853	1.4
99.04530	35.2
101.02453	11.9
109.02962	8.9
113.02467	1.6
119.05025	1.6
121.02982	2.5
123.04505	1.0
125.02467	16.8
135.04520	7.5
137.02412	1.7
143.03456	1.4
143.05060	1.7
147.04524	1.1
148.05321	100.0
149.05656	3.6
159.04556	1.2
161.02455	1.0
161.04602	4.3
161.05756	0.8
163.07668	81.4
164.08028	3.0
167.03604	1.0
169.06483	0.9
171.04504	1.5
172.20715	0.8
173.06137	2.6
181.06714	0.9
183.04550	1.3
184.31990	0.9
185.06113	3.3
196.05305	1.9
197.06105	4.7
198.06802	1.3
199.04022	4.2
209.06146	1.3
211.04034	1.9
212.04688	1.7
213.05614	6.4
224.04781	1.9
225.05589	7.9
226.06398	3.2
227.03496	1.1
227.07216	5.0
229.05063	1.8
237.05476	1.6
239.07085	1.4
240.04303	2.7
241.05095	19.9
242.05527	2.1
249.05496	1.2
253.05089	3.4
254.06061	0.9
263.07242	0.9
265.05115	1.0
273.09265	1.0
277.08536	1.0
278.05942	1.4
279.06757	1.5
289.08783	1.4
291.06641	2.4
293.08191	1.1
298.98346	1.0
299.99130	1.7
300.99796	2.4
301.08633	1.1
305.04324	1.1
305.08194	1.2
315.06650	1.1
317.08246	1.6
329.08295	1.5
329.23410	1.6
333.07657	2.3
334.08356	0.8
345.07785	2.9
346.08499	1.5
347.09207	3.8
357.07840	0.9
358.08356	0.8
359.09378	5.4
363.08627	1.4
375.08755	7.8
376.09146	1.2
385.10822	5.8
389.25818	1.0
401.14008	0.9
427.12094	1.3
451.11942	1.8
469.12976	67.2
469.20761	4.9
470.13278	7.9
470.20358	1.0
470.21979	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
69.11555	3.2
69.11981	3.4
80.62136	0.8
111.04555	4.4
125.06084	2.4
137.09692	1.5
143.61179	0.9
171.10309	1.1
172.10709	1.2
174.08044	0.8
191.03578	1.3
207.06755	2.0
212.09337	0.9
215.07188	0.8
217.01431	1.4
221.08195	2.7
221.11839	1.2
233.08192	3.1
235.13417	2.2
246.05197	0.8
250.16187	0.8
261.07693	4.6
268.03876	0.9
275.09363	5.5
281.08286	0.8
283.02753	1.1
286.07986	1.0
287.05688	0.8
295.02673	1.2
295.09747	1.1
299.09167	2.0
301.07150	1.7
309.00574	1.0
309.07758	1.0
310.08517	0.9
311.09198	1.2
313.10947	1.7
321.13092	0.8
321.70898	0.8
323.09146	1.0
339.08878	2.0
343.08212	1.5
349.07126	1.5
355.26459	1.0
357.09872	2.7
365.06693	1.0
367.08206	3.2
381.13452	2.5
391.11792	3.5
394.10541	1.5
409.12952	37.4
410.13400	4.2
422.38882	0.9
423.32907	1.0
425.16141	3.6
427.27887	0.9
437.12448	31.2
438.12653	3.7
441.15634	2.0
469.15042	45.8
469.33279	100.0
470.15271	5.6
470.33658	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	469.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19363	0.8
64.23325	0.9
83.02790	0.7
93.77030	0.9
95.01389	2.3
98.21744	2.6
107.01422	1.3
108.02179	1.9
114.70720	0.8
123.00900	3.8
123.04531	1.4
125.02460	4.3
126.02841	0.9
137.02470	10.8
148.01691	0.9
151.00363	0.9
152.01161	2.0
165.01938	48.9
166.02306	1.9
166.99875	3.5
169.01485	4.6
170.01720	1.5
171.01974	1.0
172.01688	6.4
173.02350	1.5
179.03481	5.2
180.04300	29.2
185.02391	1.8
187.00311	1.1
188.01204	1.2
195.06641	48.0
196.06903	2.4
199.00343	1.2
200.01172	3.6
201.01974	1.9
210.05333	4.9
214.99852	1.5
216.00659	7.8
217.01151	0.9
225.07695	24.6
226.08058	1.1
226.99823	1.5
228.00655	7.6
229.01318	3.0
242.99393	3.4
244.00143	7.2
245.00772	1.4
254.99324	1.0
256.00232	1.0
257.00885	1.6
270.98840	14.5
271.99619	8.3
273.00223	1.1
282.98849	5.5
283.99615	3.6
285.00369	2.2
298.98349	28.2
299.99127	100.0
300.99878	85.2
302.00281	7.1
315.06592	1.2
425.01581	13.4
425.10126	1.5
426.01944	1.7
450.99466	1.3
469.00546	2.2
469.08789	5.4
481.37775	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	13.7
61.98837	8.5
65.33010	0.9
69.03424	0.8
69.13933	5.3
69.14349	1.6
71.01382	7.0
73.02938	2.2
74.99053	1.5
81.03430	1.1
83.01335	1.6
85.02902	3.0
87.00856	1.8
89.02446	5.9
90.85201	0.8
95.01360	2.4
95.38364	0.9
96.96030	12.1
97.02920	1.9
98.95551	3.4
101.02435	4.5
107.01393	6.7
108.02151	1.6
109.02953	5.7
111.00932	5.0
113.02388	3.2
119.03430	2.7
120.99638	1.7
123.00877	7.2
123.04427	2.8
124.01608	1.6
125.02467	23.3
135.04541	5.1
136.01584	2.0
137.02454	18.6
137.05975	0.9
139.00383	12.8
139.03984	1.2
140.01163	34.3
141.01869	1.3
149.02335	2.5
151.00264	3.6
151.03896	3.0
152.01019	1.4
153.01833	3.3
153.05559	1.3
154.02629	2.5
155.03516	32.8
156.95515	0.9
161.02312	1.0
164.01109	1.6
165.01938	91.0
166.02313	3.5
166.99753	1.3
167.03377	1.8
168.00528	2.9
169.01434	29.0
169.83545	0.9
170.01611	1.6
177.01842	1.2
179.03503	18.0
179.05284	1.8
180.04283	56.3
181.04659	2.6
185.75304	0.9
190.28789	0.9
194.05733	2.6
195.06633	100.0
196.06949	4.8
203.07014	1.7
210.05354	8.0
211.02391	1.3
225.07690	32.5
226.07803	2.0
229.01355	0.9
241.03351	1.1
243.08603	2.3
245.08028	1.8
270.98584	2.1
271.04453	1.9
275.01721	1.4
289.07153	9.8
297.05853	1.1
298.98016	2.9
299.99112	10.7
300.99860	14.4
302.00003	1.9
303.06979	2.4
307.21072	3.2
313.05618	11.8
315.08511	1.7
317.08670	5.7
331.08057	1.6
337.18329	1.8
346.10419	1.7
361.12872	7.5
421.10336	1.1
421.15051	14.6
422.15073	1.7
425.00986	1.6
451.08051	1.2
469.09393	38.7
469.26181	3.6
470.09579	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1869
Annotation	Toonaciliatin B
Peak:m/z	Relative Intensity
75.07069	0.6
75.55614	0.6
81.03439	0.8
83.27529	0.6
85.06571	0.9
95.05015	0.7
97.68408	0.7
99.45272	0.6
101.68882	0.7
108.42645	0.7
109.02926	1.6
109.06554	2.4
111.04533	18.8
120.37303	0.7
123.08162	3.4
125.02437	1.0
125.72289	0.9
139.03929	1.7
151.07658	5.2
163.07613	0.7
165.09155	3.0
167.07098	1.9
179.07121	5.2
181.08623	2.9
189.05464	0.7
195.06630	13.5
196.06972	1.0
203.07030	1.4
205.08621	0.9
207.06508	2.0
208.07317	1.0
209.08180	8.8
217.08569	1.8
219.06657	3.2
221.08061	1.8
227.07001	1.9
229.08522	0.7
231.06525	0.7
233.08057	1.9
239.83025	0.6
242.09398	1.0
243.10098	1.3
245.08183	0.8
247.09630	2.0
257.11853	1.0
259.09543	2.3
271.13406	1.0
273.11288	2.4
275.12845	6.6
283.09802	4.0
287.12775	2.5
289.14346	6.3
297.11362	4.9
301.10858	5.7
311.09238	0.9
311.12656	0.7
312.09985	1.3
313.10901	1.0
313.14368	7.4
314.07996	0.8
315.12354	10.7
339.08411	1.1
339.12231	1.6
341.10083	1.6
357.13510	6.4
364.87247	0.7
369.09613	3.1
369.16974	1.4
381.20590	1.3
382.13651	1.0
383.18726	1.4
397.12936	1.3
411.14490	9.3
425.19586	3.4
469.18356	100.0
469.32520	6.7
470.18726	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	469.223
Annotation	Subtrifloralactone L
Peak:m/z	Relative Intensity
97.68835	0.6
104.73078	0.6
113.09741	6.3
123.13084	0.6
125.06104	2.8
137.09750	1.3
163.04051	2.6
166.02771	1.4
166.06378	2.2
179.07039	0.6
181.08713	26.9
189.05585	0.7
222.09027	1.6
223.09753	2.1
247.09727	9.0
255.10278	0.9
273.11401	0.8
283.09540	0.7
287.12897	3.5
299.09128	0.7
299.16464	1.0
311.12952	2.0
313.10681	1.1
325.14572	0.8
327.08899	0.8
329.14111	1.7
335.54059	0.7
337.14682	1.0
339.16071	2.4
342.11212	0.7
343.15375	1.3
351.13651	0.6
352.12402	0.7
355.11923	1.3
355.19400	1.6
367.15680	1.0
369.13324	1.4
383.15036	2.9
385.16483	0.9
411.14258	2.9
425.23557	4.8
426.16800	7.9
427.17151	0.9
432.94711	0.6
454.20139	0.9
469.22388	100.0
469.33359	2.6
470.22775	12.8
470.32855	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02097	2.0
55.01872	5.3
57.03436	2.9
59.01093	4.8
59.01383	77.6
61.98833	5.5
71.01383	39.2
71.29718	3.1
72.99325	2.6
73.02950	23.3
73.15942	2.4
83.01392	17.5
85.02955	26.7
89.02447	8.9
95.01428	4.4
99.00902	6.2
101.02446	63.2
113.02443	19.0
125.02471	6.5
137.02466	6.8
159.03047	3.6
159.43169	2.2
160.17540	2.3
161.04584	15.4
162.36201	2.1
221.27707	2.6
263.15015	98.6
264.15298	3.5
266.91681	2.2
409.20761	100.0
410.21143	7.2
469.16473	4.9
469.21906	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	469.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05302	2.9
59.01374	9.8
71.01395	6.6
71.18785	4.1
72.99299	7.1
75.00878	9.5
83.05042	6.5
84.09549	4.0
85.48961	3.8
89.50477	3.2
97.06595	10.8
98.95689	3.2
99.00912	5.6
102.30379	3.2
107.81577	3.2
113.09719	5.1
121.03006	4.0
125.09727	8.7
135.02988	17.9
135.04489	3.7
142.99841	6.7
154.14919	3.6
157.08784	5.7
159.10265	10.5
165.05615	4.3
165.12823	6.1
168.08014	4.2
174.01709	43.3
181.15955	3.6
225.14844	3.6
242.17632	16.4
279.23315	13.1
295.22766	7.1
299.99088	8.3
300.99924	4.3
307.22903	13.6
309.20679	4.5
327.21716	4.6
329.21222	10.1
333.20819	28.2
335.22430	5.3
347.22263	20.1
351.21689	21.8
373.20422	14.7
391.21365	8.9
403.21191	7.1
407.29495	8.6
409.22617	6.4
415.21936	4.0
423.29312	5.5
425.26624	7.3
433.22180	7.6
451.23257	8.5
451.28741	6.9
469.28934	100.0
470.30057	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	469.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
60.44815	0.3
68.86398	0.3
69.06647	1.4
69.07072	0.9
92.12253	0.3
95.76372	0.3
161.15627	0.3
195.21872	0.3
288.08795	0.3
355.26694	0.4
421.31241	0.4
423.32703	0.3
424.33621	0.3
427.21118	0.3
467.31650	0.8
469.33252	100.0
470.33618	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	469.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03519	0.6
61.98932	0.5
69.24359	1.6
69.24776	2.2
97.54611	0.6
98.21832	0.7
133.13658	0.6
165.25237	0.6
198.90044	0.6
271.67297	0.6
289.21701	1.6
291.39041	0.5
298.74011	0.7
309.79855	0.6
389.60794	0.7
393.27939	3.0
407.29660	2.5
409.30893	1.2
423.32697	55.2
424.32895	6.4
425.34241	4.2
469.33255	100.0
470.33597	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	469.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.1
68.99223	1.2
77.81953	1.4
83.27879	1.3
95.07471	1.5
96.60358	1.4
112.66389	1.3
151.11339	1.5
301.00027	1.9
327.16010	1.5
334.72162	1.5
383.29581	5.7
407.33304	15.6
423.32794	4.5
425.34354	100.0
426.34753	9.2
432.91400	1.6
469.33179	90.8
470.33325	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69514	0.5
63.57219	0.5
76.96922	0.5
81.63399	0.4
85.98773	0.5
98.22549	0.9
282.90121	0.5
293.32364	0.5
357.27829	1.0
391.68002	0.5
423.32782	1.7
425.34634	0.6
469.33267	100.0
470.33603	14.7
470.70877	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3324
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
50.01777	0.4
56.88031	0.5
57.03455	5.5
59.80812	0.4
60.18941	0.5
68.49506	0.4
68.98767	4.7
174.77083	0.5
212.71974	0.5
339.27188	0.5
423.29062	0.8
425.34805	3.2
439.32840	0.6
451.33118	0.5
469.33411	100.0
470.33752	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	469.3322
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
56.73469	0.3
65.81891	0.4
69.71139	1.0
69.71531	0.6
73.30424	0.4
80.02698	0.4
86.06644	0.4
93.87056	0.3
98.22497	0.5
127.11319	0.5
155.10774	0.8
171.10207	0.5
173.11833	5.7
181.08705	0.6
207.83337	0.4
295.22809	0.7
313.23831	5.1
314.24469	0.5
371.29605	0.3
379.30280	0.9
395.29617	3.0
407.33322	1.9
423.32675	4.9
424.32788	0.8
425.34198	2.4
469.33237	100.0
470.33578	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17257	0.5
94.83986	0.4
158.68983	0.5
183.66888	0.5
223.94833	0.5
395.29523	0.8
414.40305	0.5
423.32764	3.9
425.34283	2.0
469.33255	100.0
470.33575	13.3
488.49796	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87576	0.8
69.02911	5.9
98.22468	1.8
98.30971	0.7
186.63658	0.9
263.10803	0.8
341.61816	0.9
403.63333	0.9
423.32761	1.0
469.33255	100.0
470.33551	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	469.3527
Annotation	oscr#37
Peak:m/z	Relative Intensity
56.15813	1.0
59.40177	1.0
70.59171	1.1
70.59516	1.6
72.88088	1.1
79.58071	1.0
90.05193	0.9
100.32761	1.1
116.92908	1.8
119.66199	0.8
127.11283	1.8
130.59885	1.2
155.10800	2.8
172.32079	0.9
173.11839	36.4
180.12718	1.0
196.11908	1.0
251.23817	57.7
252.24239	3.8
269.25070	1.5
270.82404	1.0
271.42050	1.1
286.39029	0.9
295.22791	22.6
296.23083	1.8
309.80594	1.0
313.23892	13.0
322.69751	1.0
407.35370	2.3
451.34512	1.9
469.35367	100.0
470.35522	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	470.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12981	0.5
57.03453	0.9
59.01379	1.7
61.98834	76.3
69.30097	1.0
69.30509	2.7
71.01384	0.9
79.39169	0.4
79.95741	73.7
80.96519	2.7
81.03453	0.6
83.01389	0.6
93.03460	0.5
95.01415	0.7
96.96018	3.4
98.22534	0.8
107.01427	1.1
107.18820	0.5
109.02982	1.3
110.15192	0.6
113.02505	0.5
121.02962	13.7
123.00900	0.7
123.04475	0.6
124.01711	0.8
125.02457	12.4
126.02751	0.8
128.73100	0.5
130.08754	0.7
135.04530	2.5
137.02451	0.9
139.04126	0.5
146.03751	1.1
147.04088	0.6
149.14594	0.5
151.04018	0.8
153.01871	0.6
161.02460	1.9
161.06042	0.6
164.01163	0.9
164.04825	0.8
165.05446	0.6
166.06360	100.0
167.03537	0.7
169.01422	7.9
170.01820	1.4
175.03995	0.5
179.07144	1.8
180.07500	1.5
181.08714	72.5
189.99217	0.6
190.55208	0.5
194.05829	0.8
197.04594	0.6
209.08246	1.4
242.99306	0.6
259.02582	0.6
270.98828	1.4
287.05597	0.9
298.98364	2.2
299.99225	2.9
300.02301	0.8
300.99692	2.0
302.00266	0.8
313.02936	0.5
317.54236	0.6
319.08499	0.5
345.12979	0.8
360.15439	1.3
391.17630	3.2
391.27701	0.6
393.54822	1.3
394.05096	1.0
441.89984	0.5
457.65604	0.5
470.12476	3.2
470.18155	0.5
471.02075	2.3
471.13330	68.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.8
71.01383	0.9
71.27126	0.6
78.12576	0.4
82.03004	0.6
89.02468	1.1
108.02231	0.5
128.03552	100.0
129.03908	1.5
152.01129	0.5
159.57870	0.3
169.01476	0.5
253.22459	0.4
261.00803	0.9
309.28894	0.4
341.10971	1.7
471.12134	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.9
61.98841	0.6
63.22597	0.4
66.91469	0.3
68.99818	0.4
69.64246	0.5
69.64653	1.0
71.01382	1.5
72.99321	1.8
73.02954	0.5
75.22778	0.3
83.01393	0.5
85.02966	0.4
85.50999	0.3
96.96028	2.0
98.95596	1.6
99.00896	0.7
99.92595	20.5
100.92613	1.0
100.93384	2.1
103.00396	0.4
111.00905	0.5
115.92088	25.4
116.92870	100.0
117.92869	4.6
121.02969	8.0
125.02468	1.0
127.00388	0.9
131.34618	0.3
135.04468	0.4
137.02490	0.7
141.93588	0.4
142.94434	1.9
156.96049	0.6
169.01404	0.7
169.93225	0.7
170.93927	6.7
184.95450	1.9
196.95525	0.4
204.96080	0.5
212.94965	1.3
213.86949	0.4
220.95450	0.5
221.96370	0.4
233.96236	0.3
236.95000	2.6
240.94693	0.4
256.93918	1.9
258.95630	0.6
268.27927	0.3
273.94348	0.8
278.99661	1.1
301.99933	0.4
304.00137	0.4
348.98938	0.6
378.04095	0.4
391.01276	0.7
404.22107	0.3
409.02475	1.5
411.05145	0.4
453.01404	2.3
454.01791	0.5
471.02414	9.8
471.09268	0.5
471.15546	0.7
472.02536	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	4.2
59.01381	6.7
62.50763	1.0
69.64179	4.8
71.01377	2.8
79.95743	31.2
80.96505	1.9
83.01389	1.3
85.02942	1.9
93.03468	2.6
94.11980	1.0
95.05028	1.3
96.96013	22.5
98.21838	2.2
101.02422	1.3
105.03492	1.3
105.18650	1.0
107.01398	1.2
107.48663	0.9
107.77436	1.0
108.02186	1.7
109.02956	1.7
113.84952	1.1
117.18391	1.3
121.02953	5.9
122.03745	6.0
122.24296	1.0
123.00877	2.5
123.04515	4.4
124.01655	3.4
125.02459	26.6
133.02948	3.1
134.03773	1.8
135.04559	5.0
136.01602	1.2
136.05321	13.8
137.02429	3.1
137.06020	2.0
139.00421	2.1
139.04012	1.4
149.02464	16.9
149.06049	2.3
150.03238	66.5
151.00336	2.4
151.04048	7.5
151.07698	1.4
153.01892	1.8
161.02432	10.2
162.03096	1.1
164.04846	6.1
165.05577	53.8
166.05881	1.2
167.03506	1.5
168.00639	3.0
169.01414	2.6
169.05156	1.1
177.01970	1.9
177.05594	2.7
179.07173	1.2
180.04306	5.4
181.05051	4.5
183.03061	5.0
195.06641	33.6
196.07007	1.4
203.00235	4.2
207.02866	1.1
221.01024	1.1
245.01215	4.7
259.02710	2.5
269.04245	1.1
283.09860	5.6
284.10297	1.9
287.05475	1.4
300.99643	2.8
302.00098	1.7
305.06534	1.5
311.09271	8.8
313.05594	1.2
316.09320	1.6
338.95609	2.4
343.11865	50.4
344.12305	5.0
391.13998	24.1
427.16150	2.0
453.14212	1.4
471.09613	100.0
471.14948	7.4
472.10037	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	471.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.4
61.98833	2.3
69.11321	5.6
79.95746	69.4
80.96522	2.0
93.03479	1.3
95.01404	2.2
95.42867	0.6
96.94923	0.7
96.96045	1.0
109.02995	1.0
111.65342	0.7
116.84971	0.9
120.99682	1.0
123.00902	15.3
125.02443	1.7
135.57928	0.7
137.02440	4.0
138.03241	13.1
153.05605	5.7
163.04004	1.2
166.99875	24.4
178.06375	2.5
182.02229	75.7
183.02605	3.1
190.86975	0.8
193.08728	2.2
196.03838	0.8
197.04570	100.0
198.04893	3.8
211.06131	2.3
248.68317	0.7
259.02820	0.7
273.04398	2.8
309.11398	1.5
391.13934	10.3
392.14252	1.2
407.81293	0.7
471.09674	61.7
472.10052	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	471.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74073	3.1
59.01374	14.1
59.32207	3.0
60.99300	20.3
70.84219	3.5
71.01392	9.2
78.49456	2.9
83.01378	4.8
83.08681	2.9
88.98812	100.0
88.99367	4.9
89.02468	7.1
98.21725	7.6
101.02437	7.2
102.40388	3.1
108.02155	15.7
109.02946	6.9
123.00922	5.4
123.04515	8.7
124.01676	7.1
125.02471	32.0
134.03807	3.6
137.02429	4.7
149.99564	4.0
151.00375	7.4
152.01152	12.0
152.77554	3.1
153.01903	5.7
160.01656	6.6
165.05592	3.9
168.00644	13.0
169.01428	27.9
175.04005	3.7
181.97495	3.1
233.08192	14.4
261.07642	22.0
381.11758	21.3
471.15247	77.4
472.15500	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1146
Annotation	Clofazimine
Peak:m/z	Relative Intensity
55.01868	1.1
59.01359	2.9
60.65252	0.7
61.82702	0.8
69.03447	1.1
69.78424	3.1
71.01387	7.1
73.02936	3.0
81.03449	2.5
83.01387	4.4
83.05013	3.1
83.31221	0.7
85.02953	4.4
89.02464	0.8
93.03456	9.8
95.01403	2.1
99.00885	1.7
101.02454	3.6
108.02181	51.4
109.02969	39.9
111.00860	3.3
111.04518	9.3
113.02453	3.2
121.02949	1.0
122.03724	0.8
123.00871	1.3
123.04498	1.2
127.04010	1.3
135.00893	0.8
137.02429	8.1
151.04015	1.3
152.01161	65.1
153.01949	24.6
154.02216	0.8
155.03474	2.8
161.04558	1.7
163.03941	1.6
165.01921	1.6
173.04549	1.6
179.03525	0.8
181.05101	1.0
265.13095	1.1
269.49643	0.9
278.76843	0.8
297.06104	1.3
315.03693	1.2
315.07269	20.0
316.07513	0.8
411.18619	3.6
435.09586	1.4
450.93222	0.7
453.10373	7.1
459.35889	0.8
471.11435	100.0
472.11618	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	471.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94312	0.6
61.17174	0.7
66.95135	0.5
69.64975	2.2
69.65314	0.8
71.32278	0.5
77.69996	0.6
78.24075	0.6
79.95745	54.6
80.96535	1.0
96.95995	1.0
106.30296	0.6
123.04544	1.3
125.02483	0.8
128.54002	0.7
134.03754	0.9
146.03777	0.8
148.05315	4.3
149.06076	3.7
151.04027	1.5
163.07658	7.4
164.04810	2.2
167.03462	0.9
170.87071	0.7
172.58659	0.6
179.07161	4.8
181.05083	46.7
182.05420	1.2
196.07420	45.2
197.07800	2.1
211.09772	37.4
212.10085	1.5
229.01756	7.9
243.03323	27.8
259.02908	3.9
273.07651	2.0
276.35748	0.6
296.16147	0.8
310.71146	0.6
471.13336	100.0
472.13663	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	471.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13271	0.6
56.62109	0.6
67.50356	0.7
69.03882	5.1
79.95741	76.3
80.96516	2.3
82.21193	0.6
96.96011	1.0
98.21801	1.4
98.86940	0.7
115.28158	0.7
121.02972	11.4
135.04535	2.1
147.36386	0.7
166.06361	100.0
167.06718	3.9
168.00587	0.7
181.08713	79.4
182.09050	3.0
238.28067	0.6
263.93124	0.6
391.17737	4.1
443.87109	0.7
471.13327	75.7
472.13724	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	471.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
59.98476	0.6
72.40942	0.6
75.04054	0.6
79.95742	61.6
80.96499	2.2
96.95971	1.1
98.21628	1.3
108.02203	0.6
108.42335	0.7
123.04507	1.8
134.03763	1.4
146.03764	1.4
148.05328	4.2
149.06105	3.8
151.03973	1.4
153.05557	1.9
163.07669	8.1
164.04771	2.1
171.02315	0.8
179.07150	3.8
181.05080	45.5
182.05409	1.7
196.07414	48.9
197.07843	2.6
211.09770	42.2
212.10161	2.2
229.01726	8.5
243.03323	30.9
244.03772	1.1
259.02863	5.4
314.71310	0.6
471.13309	100.0
472.13605	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	471.151
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66095	1.1
56.10471	1.1
59.01385	15.4
69.03436	1.2
71.01404	7.6
72.99304	1.9
79.95759	4.9
85.02965	2.0
89.02457	13.0
92.88160	1.0
95.01405	2.3
96.96037	3.6
101.02460	4.6
107.01409	6.2
108.02120	0.9
109.02969	1.7
111.00939	1.4
113.02488	3.6
113.67965	0.9
119.03535	5.0
121.03062	1.3
123.00885	5.8
124.01698	2.4
125.02463	36.7
126.02821	1.4
126.39983	0.9
136.98869	1.1
137.02478	1.3
137.06055	1.3
139.00400	2.9
139.07707	4.9
140.01164	3.9
149.99519	1.0
151.00334	1.2
153.02107	0.9
161.04468	1.4
165.01979	1.5
166.06406	3.7
167.03465	1.8
168.00665	16.7
168.02054	1.7
169.01437	38.4
179.05701	4.9
181.05119	2.7
181.08733	3.9
182.17783	1.0
193.01457	1.2
193.05078	1.0
206.49933	0.9
209.85463	1.1
211.02496	66.1
212.02873	3.8
220.59950	0.9
241.03596	1.7
243.58293	1.1
248.68193	1.2
261.46838	1.0
265.09402	0.9
271.04630	100.0
272.04932	5.1
273.40857	1.1
298.98181	1.3
299.99057	1.3
319.14215	2.8
331.06641	12.4
471.15106	33.5
472.15469	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	471.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88490	1.1
57.03429	1.8
58.20966	1.0
59.01381	5.6
69.26157	1.0
85.02961	7.4
85.06609	2.3
86.49076	1.1
95.05046	8.2
97.06618	2.9
101.06047	5.9
109.02972	4.5
111.04530	17.5
111.08191	1.3
113.02494	2.3
113.06094	4.5
113.09740	5.2
123.08182	2.4
125.06110	7.7
133.10301	1.3
135.08136	1.3
137.02501	3.0
138.38916	1.2
139.04044	5.1
147.04526	1.1
155.07185	3.1
165.02017	1.5
165.05609	1.3
165.09244	9.3
167.07109	2.2
175.07707	1.6
177.09262	2.5
179.07184	1.8
179.10724	1.2
181.08733	22.4
183.06630	51.1
184.06967	2.6
191.07214	1.3
193.08699	11.4
207.06622	3.7
207.10260	1.8
209.08203	39.3
217.08687	2.8
221.08195	26.6
221.11646	1.3
222.08690	1.5
223.09810	5.0
225.07634	1.7
233.08209	4.1
233.11853	1.5
235.09868	3.9
235.13493	2.5
243.10094	1.2
245.08246	2.6
247.09747	2.0
259.09845	2.6
261.07727	3.9
261.11469	2.3
263.09305	3.2
271.09637	1.4
273.11304	5.1
275.09442	1.2
285.07816	1.8
287.09308	3.6
287.12714	2.5
297.07733	2.7
297.10995	1.1
298.08707	1.2
299.09360	1.7
301.18246	1.9
302.15219	8.4
313.10861	1.2
315.09076	1.6
315.12503	4.4
317.10464	1.5
317.17517	10.2
331.12119	1.3
339.12643	1.9
340.13229	2.2
341.10379	3.3
345.17114	8.5
355.11862	1.7
359.11581	3.5
369.13287	1.5
371.14722	1.6
383.11087	5.0
384.12460	1.2
397.31827	1.5
399.14340	7.0
409.16696	1.7
411.14465	7.9
412.14911	1.3
426.34790	4.0
427.35638	13.7
428.36328	1.2
453.15872	4.8
453.33728	7.4
456.14474	2.1
456.21832	1.3
470.33566	12.6
471.16791	87.6
471.24060	69.0
471.34833	100.0
472.17142	8.4
472.24432	8.8
472.35196	11.0
498.00812	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00267	0.5
58.46442	0.4
60.14549	0.4
69.01478	4.4
71.05006	1.3
75.32974	0.7
78.69755	0.5
79.01878	1.4
85.06574	1.4
95.05032	4.0
97.02962	2.7
109.06570	1.7
111.04509	2.2
121.02975	0.7
123.08145	2.2
124.49818	0.5
139.04022	7.3
147.08151	0.9
150.06900	0.5
163.03999	0.6
163.07713	0.7
165.01921	1.3
165.09222	23.3
166.09538	1.2
190.02696	0.6
191.03444	1.6
191.07137	1.7
209.08206	100.0
210.08562	4.6
216.97397	0.5
217.01558	0.8
218.02223	1.0
218.05872	0.6
233.08165	3.2
240.46559	0.5
243.06679	1.5
246.05302	2.8
261.07700	54.1
262.08051	3.5
355.11972	1.4
391.30371	0.7
407.33121	1.2
413.19766	1.7
427.32040	0.6
451.32352	0.9
453.33786	1.6
470.33820	2.1
471.16672	8.8
471.34897	68.3
472.17297	1.2
472.35287	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	471.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.0
62.73315	0.4
65.15974	0.4
67.57740	0.5
69.26563	1.6
69.26993	1.7
79.14349	0.5
80.30534	0.4
95.09260	0.4
97.06625	0.5
108.02177	0.6
109.02936	1.3
112.37303	0.5
115.43356	0.6
121.02965	2.2
123.04543	0.6
134.03745	3.5
135.04510	1.6
145.02980	3.7
146.03732	1.4
147.04492	1.4
148.05199	0.5
149.06081	5.1
158.03690	1.3
159.04504	1.2
160.05334	1.0
171.04578	0.7
172.05310	12.5
173.06015	2.7
185.06032	1.5
186.06850	1.1
187.09668	0.6
188.04877	0.6
194.05446	0.4
207.08426	0.6
209.08145	2.1
220.08998	0.5
221.09746	1.3
222.10736	0.5
223.07669	1.7
237.09242	1.4
238.10016	3.7
247.07585	0.8
248.08376	0.6
249.05502	0.5
249.09184	2.2
250.06206	0.6
251.07161	3.0
253.05072	0.5
259.07724	0.5
261.05560	0.7
262.06387	0.7
265.06003	0.7
265.08673	4.5
266.09439	4.4
272.19940	0.5
275.07236	1.3
276.07901	1.9
277.08722	6.4
278.06122	1.0
278.09424	8.8
279.06638	4.7
279.10129	2.3
286.84985	0.4
292.07474	1.5
293.08228	15.4
294.08994	45.8
294.54797	0.4
295.09399	3.3
309.11331	100.0
310.11688	7.8
339.94275	0.5
404.04294	0.5
471.16516	4.2
471.26331	1.4
471.31140	2.8
472.16989	0.6
472.31577	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	8.0
71.01388	9.7
82.35253	5.3
95.54466	4.9
96.79090	4.9
96.96021	16.9
98.95596	21.0
100.07251	5.0
108.02171	13.2
109.02966	7.5
125.02492	8.6
138.90262	5.1
149.06046	5.9
149.18863	5.0
165.05579	15.5
203.99547	5.3
229.28221	7.6
238.09966	13.8
265.08707	9.2
266.09549	7.5
277.08731	9.1
278.09399	13.8
293.08154	16.6
294.09061	60.6
309.11356	100.0
310.11545	5.0
349.01947	5.7
467.90582	5.5
471.19046	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	471.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44481	1.2
70.58298	2.4
74.56190	1.2
82.77866	1.1
95.49425	1.1
97.37979	1.0
99.92597	5.0
100.93414	1.7
107.36616	1.2
109.35095	1.3
115.92088	100.0
116.92099	4.7
116.92826	2.4
128.46786	1.0
132.92345	1.4
172.77895	1.2
181.45914	1.1
187.05408	1.1
367.05737	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3118
Annotation	Comnostin D
Peak:m/z	Relative Intensity
50.40032	0.6
51.48676	0.5
56.08630	0.5
58.00605	48.1
59.01360	1.0
75.19691	0.5
77.02198	0.5
83.05007	0.6
122.66151	0.5
150.07916	0.5
233.25117	0.6
248.64500	0.5
253.24136	0.6
346.52725	0.6
351.26785	0.8
353.28354	1.0
369.27927	1.4
371.29605	1.0
407.33331	2.8
409.31036	1.2
427.32126	100.0
428.32498	13.6
428.37775	1.1
453.33859	1.2
471.30496	37.1
471.34924	61.6
472.30627	3.9
472.35184	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	471.3119
Annotation	Kuguacin Q
Peak:m/z	Relative Intensity
54.18088	0.5
55.39185	0.6
57.03451	22.2
59.01366	0.9
60.38552	0.6
63.21904	0.5
71.04982	0.8
79.01865	1.4
81.03461	13.6
85.02957	0.8
85.06582	1.0
87.04508	1.5
95.05029	9.9
97.02929	1.0
97.06594	57.5
98.06890	1.6
98.21823	1.5
109.02934	0.8
109.06540	2.5
111.04536	4.6
111.86718	0.7
113.09676	2.3
121.02964	0.8
121.06474	0.6
123.08125	1.4
125.06036	1.3
125.09723	3.5
130.84616	0.6
131.21576	0.6
131.26578	0.7
137.02385	1.1
139.04015	4.3
149.09636	1.6
151.07565	0.8
163.11246	0.7
165.01807	1.9
165.09222	10.0
165.12852	12.6
177.09138	0.7
177.12715	1.2
179.07077	1.4
179.10727	1.8
181.08705	15.4
182.08919	1.0
183.06636	5.0
191.07036	1.5
191.10637	0.7
193.08618	0.7
195.06529	1.9
205.08635	1.1
207.06615	10.3
207.10080	3.5
208.07001	0.7
209.08205	41.1
210.08517	1.7
220.10989	1.1
221.08234	5.6
221.11615	1.3
222.08534	0.7
223.09721	4.2
233.08026	2.0
233.11725	1.0
235.06143	18.0
235.09764	5.9
235.13405	10.8
235.16893	4.0
236.06276	0.9
236.13640	1.0
249.14769	0.7
261.11154	1.9
263.08820	0.7
263.12689	1.7
289.10587	2.6
289.14005	1.3
340.09317	1.2
341.09998	0.7
355.11679	1.0
369.13422	8.7
370.13940	0.7
383.14883	1.0
393.13083	1.1
411.14517	4.4
413.12341	10.0
415.17267	1.1
427.21600	3.9
471.19754	31.3
471.30701	100.0
472.20230	2.1
472.31076	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	471.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	2.4
59.01357	3.4
59.67846	0.7
69.43922	3.3
71.05009	1.4
83.05013	1.4
92.15030	0.7
95.05014	2.7
97.06581	5.8
98.21772	1.5
109.06580	1.9
111.08116	1.4
114.83415	0.7
125.09772	1.2
137.09717	2.0
159.06566	1.6
187.13571	0.7
193.05038	2.9
201.95174	0.7
237.07642	1.5
259.05167	0.7
277.75305	0.7
289.21707	2.1
339.23456	1.3
341.24796	6.2
357.28122	1.8
411.28992	2.7
425.30481	3.1
427.32327	8.9
428.32532	1.6
453.29828	3.1
471.30957	100.0
472.31348	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	471.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	6.9
58.00576	2.4
60.99317	2.8
64.36392	1.2
69.27808	9.1
71.05007	2.2
75.65459	1.4
83.86160	1.5
97.06606	4.0
109.06603	2.1
113.09737	1.6
125.09734	5.4
157.08730	13.8
187.09718	3.1
272.84464	1.5
331.24881	5.3
369.27884	4.3
381.28055	3.9
383.29517	4.5
385.31076	5.3
391.30099	2.3
399.32922	1.9
407.33319	15.1
408.33646	2.5
409.31061	5.6
423.29056	4.2
427.31900	17.4
428.32700	1.5
439.32257	11.8
440.32523	1.6
451.32043	3.7
453.34235	12.0
469.33258	21.6
470.33749	1.8
471.30801	99.6
471.35117	100.0
472.31439	16.7
472.35687	7.7
494.20465	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.9
58.00577	0.8
59.01362	0.7
59.19010	0.5
66.34309	0.5
69.12984	3.6
69.38516	0.6
71.01382	0.6
71.05031	2.8
75.43990	0.5
81.03465	0.6
82.80276	0.6
83.05017	1.5
111.08154	0.6
116.92880	0.8
125.09709	1.1
145.05119	0.8
180.07953	0.8
207.20714	0.5
308.21985	0.6
343.15778	0.5
353.24918	0.6
367.26608	1.4
397.27466	1.6
407.29486	1.0
409.31384	1.1
427.32242	38.3
428.32541	4.2
441.30692	0.8
453.30161	1.1
471.31226	100.0
472.31653	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	471.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.0
58.00594	3.6
69.62423	0.9
71.01385	1.9
73.02953	21.4
74.99635	1.0
80.60926	0.9
83.33212	1.0
166.44727	1.0
391.30148	2.7
397.31180	4.3
409.31314	1.7
427.32327	3.6
439.31992	1.1
453.34131	1.3
469.33160	1.8
471.31161	100.0
471.35519	37.5
472.31448	12.2
472.35880	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	471.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.8
59.01358	1.5
59.79801	0.8
67.64034	0.9
70.78201	1.7
73.02927	1.2
82.81133	0.8
83.04995	1.4
97.06583	1.5
109.02954	1.1
111.08166	0.8
121.02949	1.9
125.09739	1.4
150.56123	0.9
193.05081	5.8
228.38046	0.9
233.04584	1.1
237.07742	5.7
257.19083	1.4
355.26175	0.9
409.31012	2.9
412.28250	1.0
425.30301	2.1
427.32620	5.5
453.29782	2.7
454.30383	0.9
471.30948	100.0
472.31174	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02698	0.4
57.03424	0.5
58.00598	5.1
60.19810	0.3
62.36205	0.3
69.20705	2.5
71.01350	1.3
73.02913	0.5
78.57308	0.3
84.02173	27.7
85.02947	0.8
97.06645	0.4
125.09665	0.5
156.28702	0.3
156.90216	0.3
169.26010	0.3
186.82149	0.3
289.35269	0.4
367.30029	0.6
395.29266	0.4
397.30707	1.1
399.32700	4.2
409.31302	2.3
427.32202	14.3
428.32614	2.0
471.30716	100.0
472.31003	13.5
483.07727	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3473
Annotation	Odoratone
Peak:m/z	Relative Intensity
58.04065	0.2
58.32502	0.3
58.89009	0.2
66.63855	0.3
66.90313	0.2
67.01942	0.3
71.28526	0.3
78.55584	0.2
113.09726	0.9
179.07181	0.8
181.08723	5.5
182.09140	0.3
191.14478	1.0
192.07910	2.1
195.51099	0.2
200.83299	0.2
207.10275	51.3
208.10645	2.4
209.08261	1.2
223.09767	0.4
235.09816	0.5
235.13408	10.8
235.15750	0.6
236.13904	0.9
249.14949	0.4
251.09187	0.3
251.16550	1.5
270.64572	0.3
275.33673	0.2
289.14575	0.7
319.19736	0.3
388.68576	0.3
427.36032	0.5
471.34848	100.0
472.35181	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	471.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32953	0.3
69.73607	1.7
75.27424	0.3
92.91247	0.4
98.22460	0.3
110.77379	0.3
143.84593	0.4
190.32721	0.4
198.33797	0.4
235.21298	0.4
423.32629	1.0
427.35672	0.5
471.34839	100.0
472.35181	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	471.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
65.36671	0.4
68.11013	0.3
69.04756	2.6
98.22626	0.6
101.78819	0.3
169.25998	0.3
192.22685	0.3
212.94701	0.3
286.48624	0.3
304.07654	0.3
399.91364	0.3
407.33273	0.7
451.31866	0.5
471.34808	100.0
472.35129	11.3
477.17993	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.348
Annotation	Unknow
Peak:m/z	Relative Intensity
69.83530	1.3
71.05004	1.2
74.72210	0.5
82.11796	0.4
85.06602	0.8
97.06595	5.3
115.55537	0.6
180.07034	0.5
181.75229	0.4
337.80334	0.5
373.25461	0.6
383.29391	0.5
389.28467	1.4
390.28732	0.5
391.30212	5.4
392.30240	0.5
403.30502	0.5
405.31604	6.1
406.32147	0.6
407.33200	14.0
408.33466	1.4
423.29340	0.8
437.30688	1.1
439.32239	1.8
441.33627	3.8
451.32175	14.3
452.32532	1.7
453.33759	73.2
454.34125	8.3
470.13351	0.5
471.34863	100.0
472.05930	0.5
472.35165	12.3
497.32715	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
60.21413	0.3
69.14648	0.8
69.15099	2.2
69.15456	0.4
158.97231	0.4
198.65596	0.3
390.40250	0.4
407.33234	1.4
423.32776	0.8
471.34811	100.0
472.35156	15.5
472.41888	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3483
Annotation	Odoratone
Peak:m/z	Relative Intensity
57.94481	0.2
58.00596	0.4
68.77703	0.3
69.41644	0.2
70.56628	0.6
70.91104	0.3
97.06629	0.3
141.99344	0.3
156.43394	0.3
194.17706	0.3
217.35379	0.3
351.93573	0.3
386.90164	0.3
395.33231	1.5
396.34012	0.3
409.31409	0.4
427.32230	0.6
439.32309	0.7
441.33618	0.3
453.34192	0.6
469.33231	1.9
471.35004	100.0
472.35385	13.3
496.88165	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99334	0.3
70.10347	0.4
71.05036	0.4
81.93316	0.2
130.69177	0.2
137.09811	0.2
157.08650	0.4
161.81998	0.2
214.04471	0.2
218.28471	0.2
226.95341	0.2
249.36821	0.2
339.27090	0.4
391.29959	0.4
407.33209	5.2
408.33560	0.7
409.34848	0.3
425.34604	0.3
427.36331	0.3
437.49857	0.3
453.33685	0.5
469.33289	0.5
471.34818	100.0
472.35162	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	471.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81928	0.4
55.50340	0.3
59.57840	0.3
75.04385	0.4
106.56500	0.4
114.55973	0.4
202.20866	0.3
471.34814	100.0
472.35181	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	471.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52126	0.6
83.73038	0.4
92.83923	0.5
94.25683	0.5
97.06603	2.4
100.93424	0.5
115.55586	0.7
124.64098	0.5
159.18448	0.5
173.03288	0.5
229.09361	0.6
371.26685	0.6
375.26651	0.6
389.28470	1.0
391.30130	2.3
405.31482	2.5
407.33182	6.0
451.32202	5.9
452.32916	0.7
453.33786	24.1
454.34052	3.2
471.34857	100.0
472.35175	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	471.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89250	0.9
64.53218	1.0
66.11703	1.0
69.12669	2.0
69.13084	4.9
69.20419	0.9
83.02849	1.0
89.92896	0.9
90.60358	0.9
349.11102	0.9
407.33478	0.9
471.34869	100.0
472.35275	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.8
59.54309	0.4
68.95757	0.4
81.14977	0.3
97.06613	0.9
114.12322	0.3
122.36552	0.4
125.09737	1.1
125.10627	0.3
158.25496	0.4
164.89455	0.3
169.82935	0.3
187.09789	0.7
255.65294	0.4
264.65833	0.3
283.19379	0.5
289.21628	0.5
389.29340	0.3
423.32870	0.6
425.33835	0.4
427.32138	0.8
439.32349	0.5
469.32742	0.5
471.35007	100.0
472.35385	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41607	0.7
66.04353	0.8
69.06723	6.8
72.98116	0.8
76.43034	0.9
97.07735	0.9
98.22627	1.3
110.10345	0.8
111.34599	0.8
121.20772	0.9
221.82964	1.1
397.29782	0.8
421.33487	1.0
427.35828	100.0
428.36249	11.0
471.34842	51.5
472.35202	7.1
482.62320	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3482
Annotation	Jujubogenin
Peak:m/z	Relative Intensity
51.01952	0.4
51.09819	0.4
51.32318	0.3
60.99313	6.9
69.77361	1.6
98.21854	0.6
131.23708	0.4
137.09724	0.6
138.57236	0.4
144.66844	0.4
219.89929	0.5
302.03476	0.5
379.30127	0.8
409.34839	11.9
410.35153	1.6
425.34457	1.0
471.34836	100.0
472.35190	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	471.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50876	0.3
56.29927	0.3
71.72886	0.3
72.95013	0.3
74.50716	0.3
74.90079	0.3
82.54751	0.3
115.36675	0.4
165.09190	0.4
177.05573	0.5
179.07127	0.6
179.57272	0.3
188.51506	0.3
191.14395	1.3
192.07930	2.2
195.06715	0.5
199.48164	0.3
207.10275	46.1
208.10585	2.3
209.08289	1.6
228.94540	0.4
229.28581	0.3
235.09698	0.8
235.13409	9.3
236.13811	0.7
247.13518	0.4
249.14882	0.6
251.16534	1.0
255.11591	0.3
307.96167	0.3
318.44217	0.4
328.05981	0.4
399.64359	0.3
471.34805	100.0
472.35181	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	471.3483
Annotation	Hispidone
Peak:m/z	Relative Intensity
57.03444	1.5
58.00595	2.9
59.01374	1.0
60.99312	4.9
65.16669	0.8
69.66830	0.8
69.67110	3.9
71.01399	1.4
73.02972	1.9
75.83729	0.8
80.02707	1.2
83.82835	0.8
84.02174	10.7
86.08270	0.9
97.06620	1.7
101.24866	0.8
116.44806	0.9
120.43996	0.9
123.08170	1.0
125.09734	3.5
137.09805	0.7
321.81754	0.9
357.28030	1.6
377.28476	1.1
407.33212	71.4
408.33624	8.5
409.30594	1.2
409.35031	3.1
427.31885	7.4
453.28656	2.2
453.33911	2.5
471.30261	30.8
471.34827	100.0
472.30328	3.4
472.35046	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	471.3485
Annotation	Augustic acid
Peak:m/z	Relative Intensity
50.85747	1.9
55.73028	2.1
69.33813	11.5
96.20685	2.2
118.86554	1.9
323.10043	2.0
377.28677	4.3
393.31702	14.1
394.32025	2.7
409.34839	28.5
426.10895	2.6
427.35986	7.8
453.33875	3.9
471.34799	100.0
472.34964	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	471.3483
Annotation	Hispidone
Peak:m/z	Relative Intensity
65.10564	0.4
68.29260	0.4
69.06290	0.3
81.95033	0.4
125.09755	0.5
203.29594	0.4
219.84903	0.3
224.06241	0.4
278.24435	0.3
391.30145	1.2
392.30630	0.4
393.31512	0.6
405.31219	0.4
407.33121	3.1
409.35147	0.6
425.34689	1.9
441.33585	0.6
451.32471	0.8
453.34027	2.1
469.32990	1.4
471.34833	100.0
472.35263	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	472.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19383	2.2
53.32251	2.2
55.01880	3.3
57.03448	4.5
57.24500	2.2
57.55598	2.4
59.01373	16.6
61.98830	22.6
68.96819	16.3
68.97221	5.0
71.01387	77.9
72.99295	2.7
73.02950	22.5
83.01390	11.8
83.05026	2.4
84.04543	9.1
85.02959	29.8
87.00873	4.2
88.04044	80.1
89.02470	4.4
92.20522	2.3
93.03486	3.3
95.01388	6.5
97.02964	3.2
99.00880	11.2
99.04546	3.2
101.02452	37.6
108.02168	9.8
109.02971	16.7
109.28853	2.5
111.00904	4.7
112.04057	58.3
112.04804	4.4
113.02475	31.7
119.03494	3.3
121.02975	3.0
121.06567	2.2
122.03745	100.0
123.00863	6.2
123.04555	47.2
125.02469	7.2
130.05119	76.8
130.05864	1.3
135.04527	5.1
137.02477	13.4
140.01183	8.7
143.03500	3.4
149.02483	2.9
152.01208	3.3
155.03502	5.7
159.02989	8.9
160.06207	2.4
161.04568	91.3
165.05544	9.3
167.03545	4.2
169.01373	4.1
177.05536	4.5
205.03496	3.0
285.09778	73.7
286.10150	3.1
300.99814	6.3
311.07761	4.6
329.08749	15.5
442.13431	12.7
472.14645	97.9
473.14316	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	472.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04919	6.0
58.00602	5.8
59.01383	99.5
59.05558	4.5
61.98834	68.6
71.01378	58.0
72.99304	5.9
73.02959	33.1
75.73077	4.2
83.01402	9.5
83.19314	4.5
85.02960	22.1
87.00883	12.7
87.04566	5.2
89.02448	39.0
101.01818	7.4
101.02454	85.5
101.03103	7.2
103.04018	33.2
103.55077	5.2
108.02177	11.2
109.02977	10.1
113.02445	12.9
114.24959	4.6
115.04006	8.4
119.03506	18.9
125.02452	21.1
131.03499	9.1
143.03510	14.3
145.05107	6.5
153.01949	6.3
153.66451	5.1
154.55077	4.7
161.04651	9.4
163.06145	100.0
170.01770	6.1
190.02736	6.0
190.94661	4.4
205.05223	5.9
205.07062	27.7
229.14592	4.7
265.09235	9.7
293.50613	4.7
305.48737	5.1
412.13312	6.7
429.17505	10.0
472.15353	17.9
473.16629	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	472.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04919	6.0
58.00602	5.8
59.01383	99.5
59.05558	4.5
61.98834	68.6
71.01378	58.0
72.99304	5.9
73.02959	33.1
75.73077	4.2
83.01402	9.5
83.19314	4.5
85.02960	22.1
87.00883	12.7
87.04566	5.2
89.02448	39.0
101.01818	7.4
101.02454	85.5
101.03103	7.2
103.04018	33.2
103.55077	5.2
108.02177	11.2
109.02977	10.1
113.02445	12.9
114.24959	4.6
115.04006	8.4
119.03506	18.9
125.02452	21.1
131.03499	9.1
143.03510	14.3
145.05107	6.5
153.01949	6.3
153.66451	5.1
154.55077	4.7
161.04651	9.4
163.06145	100.0
170.01770	6.1
190.02736	6.0
190.94661	4.4
205.05223	5.9
205.07062	27.7
229.14592	4.7
265.09235	9.7
293.50613	4.7
305.48737	5.1
412.13312	6.7
429.17505	10.0
472.15353	17.9
473.16629	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	472.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04080	0.4
59.01373	1.9
60.10207	0.4
61.98832	100.0
62.68181	0.4
71.01366	0.7
71.29976	0.5
77.98612	0.5
79.95719	2.0
105.53087	0.4
109.02971	1.0
125.02478	1.8
137.02458	1.5
139.00247	0.5
145.02959	0.7
149.06123	1.0
159.04561	0.6
164.08260	0.4
167.03572	0.8
169.01485	0.6
180.04286	0.6
196.07539	0.5
197.07840	0.5
211.09738	0.5
223.40550	0.5
238.09880	0.9
239.10403	1.4
241.05356	0.4
243.03427	0.4
243.06624	0.5
253.04956	0.6
266.09219	1.8
267.09848	1.0
274.08231	0.9
277.08823	0.7
278.09387	2.1
279.09946	1.8
280.10727	0.6
281.08127	0.8
289.07251	1.6
293.08237	2.2
294.08719	7.3
295.06204	0.9
295.09299	8.0
301.00012	0.7
309.11365	5.5
310.11673	17.8
311.05869	0.9
311.09402	1.8
403.32285	0.6
472.13382	2.6
473.12875	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	13.0
60.89435	1.9
61.29941	1.7
61.98829	8.2
65.24040	1.6
71.01379	7.5
71.27935	3.0
72.99332	3.4
73.71562	2.2
78.95911	11.1
79.97059	1.7
80.65536	2.0
84.25385	1.6
89.02451	5.3
90.97151	2.9
91.23772	1.8
96.96945	14.4
101.02454	3.8
108.02176	26.4
109.02986	7.2
113.02471	4.0
116.54977	2.1
119.03487	3.3
123.00856	4.2
125.02480	4.7
125.58473	2.2
137.02515	2.6
148.39140	1.9
151.00330	2.4
152.01164	7.2
153.01944	11.2
154.02405	2.0
168.04260	3.1
169.01353	2.5
177.01959	4.1
181.98932	2.2
182.99773	7.4
192.04131	2.7
195.06641	2.3
196.97672	6.1
198.99307	2.6
208.97673	35.3
209.01331	4.7
210.99193	4.8
217.00252	5.1
222.99155	2.8
224.00024	24.7
224.97180	7.4
225.00815	7.2
234.99182	11.4
236.97064	3.1
237.00894	2.4
238.06929	3.3
248.97220	2.4
249.97949	28.5
250.98738	48.4
251.00882	1.8
265.00259	4.2
278.98187	2.6
290.98257	3.9
315.07166	2.2
334.26688	2.0
339.04044	2.7
353.01895	100.0
354.02139	6.7
371.01361	2.2
397.00751	6.7
409.10059	3.1
412.98474	4.5
413.04004	87.1
414.04291	4.6
427.10977	9.7
455.09146	2.3
473.11795	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	6.0
69.03480	0.5
69.51243	1.1
71.01386	5.2
73.02942	1.0
79.95753	0.5
80.95675	0.3
81.03459	0.4
81.95332	0.7
83.01389	0.5
84.06789	0.3
85.02952	0.9
87.00909	0.4
89.02453	8.8
89.03994	0.3
97.02975	0.8
99.00890	1.3
101.02457	1.8
108.02200	0.6
109.02975	0.6
113.02463	0.8
121.02953	0.4
122.04917	0.3
123.00886	0.4
125.02464	5.1
131.03494	1.1
135.04510	0.4
137.02406	1.4
143.03522	0.3
149.04538	1.7
152.01128	0.5
158.03772	0.3
161.04654	0.3
163.03995	2.2
164.04803	100.0
165.05136	3.4
166.06354	1.8
167.06566	0.4
168.00705	0.4
169.01471	0.9
179.07147	75.0
180.07465	2.9
181.08736	1.7
191.05608	1.3
233.06664	4.7
293.08823	5.0
294.09341	0.3
406.11353	0.3
441.77377	0.3
473.17395	3.6
474.19507	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	6.0
69.03480	0.5
69.51243	1.1
71.01386	5.2
73.02942	1.0
79.95753	0.5
80.95675	0.3
81.03459	0.4
81.95332	0.7
83.01389	0.5
84.06789	0.3
85.02952	0.9
87.00909	0.4
89.02453	8.8
89.03994	0.3
97.02975	0.8
99.00890	1.3
101.02457	1.8
108.02200	0.6
109.02975	0.6
113.02463	0.8
121.02953	0.4
122.04917	0.3
123.00886	0.4
125.02464	5.1
131.03494	1.1
135.04510	0.4
137.02406	1.4
143.03522	0.3
149.04538	1.7
152.01128	0.5
158.03772	0.3
161.04654	0.3
163.03995	2.2
164.04803	100.0
165.05136	3.4
166.06354	1.8
167.06566	0.4
168.00705	0.4
169.01471	0.9
179.07147	75.0
180.07465	2.9
181.08736	1.7
191.05608	1.3
233.06664	4.7
293.08823	5.0
294.09341	0.3
406.11353	0.3
441.77377	0.3
473.17395	3.6
474.19507	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	2.4
61.98850	1.1
64.35406	0.9
69.17730	5.7
71.01418	1.0
73.02944	2.3
77.89868	0.8
83.04992	1.9
88.25166	0.9
101.40411	0.8
101.72290	0.9
113.23042	0.8
121.02963	3.5
123.04562	1.4
124.92979	1.0
125.09748	1.5
132.88397	0.8
134.03767	4.1
135.04555	1.9
149.06114	4.7
161.06010	1.4
174.06839	4.0
175.07629	2.1
188.08394	1.0
192.04305	0.9
278.09454	1.9
279.10272	6.2
280.10849	1.7
281.08215	5.5
295.09824	6.2
296.10553	20.9
297.10767	2.2
297.97595	2.4
311.12915	100.0
312.13174	8.2
312.99933	4.4
328.02301	3.8
329.02277	1.4
343.04553	2.3
413.96378	1.2
457.89005	1.9
471.31384	1.0
472.31583	1.5
472.91412	2.0
473.18033	3.2
473.26489	1.6
473.32510	13.3
474.33237	2.7
474.59247	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
57.74502	0.7
59.01378	2.8
61.98833	0.9
83.05050	1.0
109.02973	1.1
121.02952	4.5
134.03735	7.0
135.04523	2.5
145.88025	0.7
147.04546	0.8
149.06116	5.1
158.20740	0.7
159.04576	1.1
160.05286	0.8
161.06015	1.3
174.06868	4.7
175.07625	2.5
188.08386	1.2
252.66846	0.9
253.08670	1.0
277.08710	0.8
278.09525	2.8
279.10257	5.9
280.10950	1.0
281.08282	4.5
281.10916	0.8
295.09781	6.1
296.07452	1.0
296.10559	18.5
297.10831	1.7
311.12915	100.0
312.13263	7.4
404.48898	0.7
429.30380	1.1
455.31567	1.2
473.17847	1.2
473.27200	4.6
473.32785	8.8
474.33353	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29745	0.3
56.24885	0.3
57.03450	5.1
63.86609	0.3
67.72051	0.3
69.09222	2.7
81.03466	1.5
83.01394	6.1
95.05039	0.3
96.69178	0.3
108.29953	0.3
111.04530	3.4
111.08163	0.5
113.09739	1.8
121.03023	0.6
124.18745	0.4
125.02457	100.0
126.02783	2.4
130.70149	0.3
135.08174	0.5
139.04019	0.4
149.02423	1.0
151.00380	0.5
179.07155	9.2
180.07590	0.4
181.08713	8.1
208.84277	0.3
223.05901	0.3
237.07701	32.5
238.08092	1.9
249.69383	0.3
256.78104	0.4
291.12369	2.1
361.16547	2.0
434.14603	0.3
473.21796	12.1
473.36493	5.1
474.22208	1.7
474.36566	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38111	0.4
55.70816	0.5
60.47097	0.8
63.94922	0.5
71.05024	0.9
79.01897	1.8
85.06599	1.3
95.05037	5.1
97.02954	2.0
99.08166	0.8
109.06625	0.8
111.04521	4.3
113.09745	0.7
121.02956	1.3
123.08191	3.2
125.06126	2.5
125.09747	1.0
136.05283	1.0
136.93063	0.5
137.09708	1.4
138.03181	0.6
139.04021	8.8
149.09760	1.2
151.07642	1.8
161.09769	0.7
163.11270	1.4
165.01955	1.1
165.09206	2.4
179.10793	17.4
180.10994	0.7
181.08736	3.5
193.08704	7.8
205.05043	1.1
205.08704	1.3
209.08206	5.2
217.12372	7.1
219.06665	1.8
219.13942	5.9
223.09766	97.3
224.10063	4.8
233.08253	2.4
237.07692	4.0
245.11754	1.4
249.11307	4.2
249.15050	1.1
263.12894	100.0
264.13208	7.2
277.14441	2.2
291.12994	0.9
291.15952	4.9
473.20334	0.6
473.25616	6.5
474.25943	1.1
498.48825	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54219	0.8
54.63507	0.8
55.01869	0.9
65.00317	0.8
71.05024	1.4
71.28554	1.1
74.58829	0.8
79.01898	2.0
81.03459	2.0
84.99646	0.9
85.02964	8.4
85.06577	1.5
87.04490	1.8
95.05026	6.9
97.02953	1.6
99.08183	1.1
104.31598	0.9
109.06590	2.0
111.04529	11.2
113.06094	2.5
121.02975	1.6
123.08186	2.1
125.02480	1.7
125.06089	6.0
127.07645	1.5
137.09700	3.2
139.04021	11.2
139.07594	0.9
151.07693	1.2
155.07152	4.1
156.27252	0.9
165.01913	1.7
166.02599	1.1
167.07118	1.8
177.05550	1.0
177.89716	0.9
179.03470	0.8
179.07213	1.7
179.10783	28.7
180.10936	1.0
181.08691	7.4
183.06544	0.9
191.07106	1.0
193.08684	2.8
193.12311	1.9
195.06638	24.3
196.06868	1.4
205.08624	1.2
205.15916	1.6
209.08159	2.7
219.06569	2.1
221.04610	1.9
223.09767	100.0
224.10136	6.3
235.06094	1.0
235.09753	1.0
237.07687	41.6
237.11264	6.0
238.08066	2.6
244.03812	1.0
244.08025	0.8
247.09761	1.6
249.11348	17.0
256.50119	0.8
263.12918	3.2
275.09070	1.4
276.09756	1.1
276.70148	1.0
277.14456	10.9
289.11029	1.3
289.14529	1.2
291.12268	3.1
291.15634	1.6
317.13956	8.9
346.95132	1.0
385.34665	0.9
429.22626	2.4
473.21622	24.1
473.27673	2.7
473.36465	7.8
474.22046	3.1
474.36816	1.5
485.40048	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85907	0.8
51.80716	0.9
55.01885	2.2
57.03440	2.4
58.00588	3.5
59.01382	73.8
60.01712	1.4
60.52502	0.9
61.98830	0.9
69.03465	1.1
69.06061	2.9
69.06479	3.6
71.01388	75.7
72.99313	5.1
73.02953	19.5
79.01910	1.1
81.03492	1.7
83.01396	4.4
83.05016	1.3
85.02960	13.7
85.06609	1.0
87.00897	2.9
89.02450	100.0
90.02795	2.2
95.01404	3.0
95.05061	1.4
97.02988	2.2
99.00886	24.6
101.02451	46.0
109.02956	1.4
111.00871	1.0
111.04548	2.4
113.02460	18.5
115.04107	0.9
119.03517	15.9
121.83092	0.9
125.02460	5.8
125.06043	2.0
125.09705	2.2
125.55372	0.8
131.03503	15.8
135.04556	1.5
143.03513	3.7
149.04568	47.9
159.02971	1.6
161.04587	7.7
179.05646	4.9
181.08682	2.6
187.09763	1.0
191.05632	13.4
204.75226	1.1
209.08243	3.4
221.06584	1.1
221.11826	0.9
233.06589	1.1
251.07806	3.0
263.13034	1.3
267.06757	1.1
295.06070	1.4
296.06912	14.4
297.07501	1.3
311.09299	20.0
311.12619	1.3
312.09692	1.5
331.22766	1.2
341.19717	15.9
342.20135	0.9
383.29843	2.1
411.29221	1.6
429.30417	1.3
473.23441	24.4
473.32715	53.5
474.24109	3.0
474.33716	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	473.291
Annotation	Unknow
Peak:m/z	Relative Intensity
58.96436	0.6
69.59384	2.2
78.30718	0.6
79.01889	0.5
95.05027	3.2
97.02950	0.9
105.03455	2.8
117.03450	0.9
121.02950	0.8
125.06104	1.3
132.02173	8.7
133.02971	17.5
134.03763	13.9
135.04535	4.8
137.02452	4.8
137.09686	0.7
139.04015	6.7
148.05324	4.2
149.02487	0.8
160.01671	47.0
161.02486	8.1
161.06110	3.2
161.18399	0.7
165.01939	1.2
175.04018	100.0
176.04356	4.0
177.01981	1.1
178.02689	1.8
179.03497	2.2
179.10776	11.3
181.08762	1.4
193.05084	7.2
194.02260	1.4
204.11502	0.7
223.09776	57.1
224.10114	3.3
233.08228	2.3
235.32628	0.7
247.09778	1.6
275.12985	1.0
291.15900	2.8
297.24356	10.2
298.24652	0.9
309.00836	0.7
329.17609	1.3
343.19308	2.2
373.27646	1.6
441.26514	5.5
473.29294	52.3
473.35272	2.4
474.29617	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	473.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59828	0.8
57.03223	0.4
57.03450	4.3
58.00583	0.9
59.01359	1.2
60.99300	1.5
64.28008	0.4
64.98241	0.4
69.03467	2.0
69.91912	1.2
71.01376	0.7
71.05003	1.0
72.50906	0.3
83.05006	0.7
84.69115	0.4
91.26006	0.4
95.05034	0.6
97.02959	0.8
97.06623	0.4
98.22436	0.5
102.49343	0.4
109.06605	0.4
111.04561	2.0
113.02435	0.4
121.02929	0.4
123.04586	0.4
123.08242	0.4
125.06085	0.6
125.09733	0.9
131.03590	0.4
135.08144	0.7
139.03996	0.6
165.09190	1.2
179.07220	0.4
181.08719	0.7
187.09808	0.5
208.07445	0.4
209.08218	4.3
221.08356	0.7
233.08258	0.8
251.09280	1.7
263.09283	2.0
289.18170	1.2
331.24841	0.6
353.24777	2.9
355.26447	1.9
365.28445	1.1
369.28085	2.7
383.29556	0.7
385.31100	2.1
386.31073	0.5
393.32230	0.8
397.23694	0.4
397.31223	0.4
400.48401	0.4
409.31128	3.4
410.31406	0.4
411.32907	6.3
412.32996	0.8
413.26761	0.6
417.08807	0.4
425.26767	1.8
429.30099	14.1
430.30554	1.7
441.30087	4.8
442.30331	0.5
443.31451	0.6
455.17328	0.7
455.31863	2.8
464.42889	0.4
471.31229	8.7
472.31693	0.6
473.28342	100.0
474.28543	10.7
485.28735	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25133	0.5
57.03434	1.3
59.01371	0.9
59.19780	0.5
60.99307	2.7
63.22319	0.4
69.24451	2.7
71.01381	0.6
71.05045	0.5
73.02949	0.6
81.03455	0.7
87.04513	1.6
97.06592	1.0
99.04486	0.6
111.04524	0.5
125.06101	0.7
125.09731	2.0
131.03500	1.5
137.09657	0.8
145.10223	0.6
181.08752	0.6
191.14351	0.6
198.34932	0.4
204.60268	0.5
209.08182	1.1
235.26616	0.5
251.09186	0.5
261.18658	0.9
263.09177	0.6
309.56146	0.5
349.25250	3.4
363.26968	1.5
365.28494	29.5
366.28824	2.9
367.30148	3.5
369.27881	1.0
381.28162	0.6
383.29602	1.3
385.31140	17.0
386.31467	2.0
391.29941	0.7
393.31512	1.4
395.29724	0.8
399.32913	0.7
409.31296	1.5
411.33041	14.5
412.32922	1.7
429.30014	52.8
430.30286	6.6
437.31134	0.5
440.88232	0.5
455.31351	1.6
473.29019	100.0
473.33173	39.7
474.29440	12.7
474.33301	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	473.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98196	0.4
59.01360	1.6
67.39304	0.4
69.70789	1.6
71.01357	1.5
71.04996	0.6
73.02949	0.7
83.05006	0.8
85.02921	0.5
85.06557	0.4
95.04978	0.4
97.06555	0.6
97.54786	0.4
100.52695	0.4
101.64489	0.4
109.02998	0.4
111.04482	0.6
123.08187	0.5
209.08086	1.3
296.10434	0.6
311.12885	2.4
327.22900	0.5
341.24796	1.5
345.22800	0.5
350.32788	0.5
365.24646	2.2
365.28610	0.6
367.26471	4.7
369.27997	15.1
370.28314	1.3
371.14880	0.9
383.29727	1.1
385.31311	2.3
386.31778	0.5
411.28851	5.2
413.26736	0.6
429.30167	24.7
430.30362	2.4
455.27020	0.7
471.31436	0.6
473.28928	100.0
474.29379	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	473.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42498	1.4
57.03439	5.5
59.01381	15.8
60.99311	2.0
61.98829	2.0
63.69284	1.4
71.29302	1.6
77.80488	1.3
79.76473	1.3
81.03418	1.2
83.05024	4.1
92.23586	1.4
97.06563	1.5
105.27872	1.2
140.19090	1.5
149.02409	1.5
177.01939	5.6
192.04271	5.6
202.90540	1.3
229.71185	1.3
241.29059	1.4
245.15419	1.4
367.30203	13.1
411.28900	9.0
413.26813	1.8
429.30191	7.5
455.27563	2.5
455.32025	1.8
473.28540	100.0
474.28860	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	473.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.1
59.01373	1.0
67.05495	0.5
69.03445	2.5
69.04404	4.4
71.05020	0.7
73.02934	0.6
75.86708	0.6
83.05031	1.0
85.02914	0.6
87.04503	0.7
95.05033	23.9
97.06596	65.3
98.06944	1.2
111.08167	1.3
115.07662	8.7
125.09732	1.7
127.11316	1.2
141.05579	2.6
153.41866	0.5
157.12279	0.9
159.06642	27.2
159.10205	0.7
160.07002	1.2
171.10329	0.9
259.29068	0.7
313.23886	6.6
314.24054	1.0
329.23410	1.2
331.24915	20.2
332.25076	1.0
411.28595	0.7
413.26959	0.7
429.29947	1.2
455.30353	3.3
473.31122	100.0
474.31290	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	473.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	2.0
59.01377	1.9
62.02494	0.7
63.40196	0.8
69.03479	1.1
71.14661	1.2
71.18310	0.8
83.05040	0.9
83.05566	1.0
94.43471	0.8
96.89687	0.9
97.02982	1.6
97.06609	1.1
111.08181	1.0
123.57343	0.8
125.09821	1.3
184.26910	0.8
427.28925	1.6
429.29962	1.9
429.34839	1.7
455.31961	1.8
473.33051	100.0
474.33273	12.9
488.10159	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3278
Annotation	Stoloniferone S
Peak:m/z	Relative Intensity
52.98722	1.0
57.03444	1.6
60.99292	2.8
69.05338	8.9
73.02932	1.3
78.78235	1.0
97.06606	1.2
104.39690	1.1
116.68960	1.3
120.28642	1.1
125.09689	1.4
225.11308	1.0
292.07050	1.1
302.77505	1.0
349.25418	2.6
363.26917	1.9
365.28476	30.2
366.28729	3.3
367.30051	4.2
383.29599	2.2
385.31143	18.0
386.31302	1.9
411.32974	19.4
412.33026	2.1
429.30008	54.5
430.30173	6.1
455.31781	1.7
473.28961	100.0
473.33142	48.8
474.29379	12.2
474.33533	4.0
483.66736	1.1
490.31339	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3276
Annotation	Stoloniferone S
Peak:m/z	Relative Intensity
57.03457	1.8
57.12944	0.3
59.01387	0.4
59.42389	0.3
63.29730	0.3
69.03447	0.4
69.08327	2.3
80.41248	0.3
109.06587	0.7
198.64073	0.3
249.34309	0.3
292.51978	0.3
383.29636	0.5
384.58887	0.3
397.31311	1.5
399.32721	7.1
400.33237	0.8
409.30865	0.5
429.30167	0.6
468.56186	0.3
473.32776	100.0
474.33105	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	473.3274
Annotation	Stoloniferone S
Peak:m/z	Relative Intensity
50.80929	0.3
57.03431	1.3
69.03453	0.7
69.11335	1.7
69.11760	1.0
76.57388	0.3
81.91634	0.3
84.55891	0.3
147.60184	0.3
211.30275	0.3
338.40540	0.3
357.28079	0.4
369.28134	0.5
396.93008	0.3
429.33774	2.6
473.32736	100.0
474.33096	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	473.3275
Annotation	CHEBI:69578
Peak:m/z	Relative Intensity
57.03458	1.1
57.03699	0.2
58.00601	1.6
59.01395	1.0
66.10545	0.2
68.99021	0.8
68.99451	0.8
69.03466	0.4
71.01376	0.7
73.02952	14.0
78.68417	0.2
79.12457	0.2
81.33533	0.2
83.05033	0.4
85.02958	1.0
87.04514	0.3
88.56329	0.2
95.05027	0.7
97.06599	1.6
101.41602	0.2
105.32396	0.2
106.38544	0.2
111.00838	0.2
111.08181	0.7
111.36935	0.2
125.09763	1.6
143.07126	0.5
159.06639	0.5
187.09824	0.6
211.13374	0.3
214.55168	0.2
221.19009	0.2
229.14467	0.5
252.71602	0.2
265.18219	0.3
283.19156	0.2
287.22348	0.4
287.70502	0.2
331.25095	0.3
357.23953	0.2
391.30005	1.1
393.31955	0.4
397.31061	1.4
399.28622	0.3
399.32935	1.6
400.33136	0.2
411.33276	0.9
427.32245	0.5
429.34225	1.9
430.34335	0.2
446.29257	0.2
455.31308	0.6
473.32761	100.0
474.33139	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	473.3264
Annotation	CHEBI:69578
Peak:m/z	Relative Intensity
53.89348	0.1
55.01873	0.1
57.03445	0.7
58.00599	1.9
58.85376	0.1
59.01385	0.8
71.01385	0.8
73.02951	15.1
74.03304	0.1
79.38171	0.1
83.05035	0.1
84.02155	0.2
85.02959	1.2
87.04524	0.1
96.79910	0.1
98.21815	0.2
101.02485	0.1
111.04524	0.1
187.07678	0.1
197.76451	0.1
214.02281	0.1
246.36659	0.1
262.98676	0.1
311.12973	0.2
341.28699	0.1
369.31500	0.1
375.27045	0.1
379.30673	0.1
381.28094	0.1
391.30099	1.4
392.30066	0.1
393.31616	0.2
395.29630	0.1
397.31058	1.5
398.31613	0.2
399.32950	2.0
400.33011	0.2
401.34283	0.1
407.29413	0.1
409.31198	0.2
411.28836	0.1
411.32910	0.8
412.32742	0.1
415.32156	0.2
427.32092	0.2
429.33823	2.4
430.34250	0.3
455.31693	0.2
473.32718	100.0
474.33084	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	473.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23302	0.7
53.34542	0.7
57.03454	6.4
59.01372	2.2
65.54832	0.6
68.00669	0.7
69.65912	3.0
71.01378	1.4
71.04996	1.0
72.35523	0.7
73.02949	3.4
83.05048	0.9
85.02966	0.7
97.06610	1.9
98.21783	0.7
103.03809	0.7
109.06610	0.7
111.08179	2.3
125.09720	1.1
125.53583	0.7
129.09300	0.7
132.01213	0.6
139.07726	1.0
159.10281	1.6
189.12820	5.1
191.14427	7.6
192.14514	0.7
257.15503	0.9
281.17764	0.9
321.20871	0.9
328.46259	0.7
350.95007	0.6
356.58719	0.7
379.30414	1.1
391.30447	0.8
392.27362	2.8
405.28040	1.8
407.29831	3.4
409.31100	5.4
410.31281	0.8
411.32996	3.0
421.31238	1.8
423.29260	2.5
429.30066	2.4
439.32220	16.5
440.32831	2.5
441.29855	1.5
453.30493	1.2
455.31754	5.9
473.32864	100.0
474.33176	12.7
483.31436	1.1
486.48599	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3275
Annotation	CHEBI:69578
Peak:m/z	Relative Intensity
50.80213	0.4
55.59322	0.4
57.03436	0.5
58.59769	0.4
60.99340	0.4
63.53328	0.5
65.71169	0.4
66.87244	0.4
67.37449	0.4
69.03463	7.0
71.05044	1.0
79.23225	0.5
80.02676	1.4
81.03445	0.8
83.05012	0.7
93.03478	0.6
95.05017	1.2
98.22555	0.9
107.05035	4.8
109.06599	70.2
110.06956	1.6
120.90720	0.5
125.06070	0.9
132.02153	1.0
133.02957	1.9
134.03758	1.2
135.04518	0.8
137.09715	0.7
139.03986	2.8
148.05333	0.7
160.01671	5.5
161.02441	0.9
175.04028	12.7
179.10779	5.3
181.08742	0.6
190.45111	0.5
193.05089	1.2
205.08778	0.5
223.09772	30.7
224.10103	1.9
263.12897	1.7
291.16071	1.8
297.24286	1.1
317.28616	2.3
339.30682	0.6
341.28491	1.0
355.29965	2.8
357.31628	30.1
358.32004	2.7
359.29416	0.8
369.31430	0.7
383.33240	1.5
385.34778	11.6
386.35007	1.1
393.31384	0.6
411.32715	10.6
412.32968	1.2
429.33740	66.4
430.34146	7.8
441.26294	0.8
473.32813	100.0
474.33157	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	473.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.2
58.14815	0.5
59.01357	0.7
67.59975	0.5
69.24207	3.9
71.65502	0.5
73.02937	0.6
78.95904	5.3
85.02946	1.5
85.27348	0.5
101.06073	0.9
108.69193	0.5
109.98080	0.5
111.04523	1.0
125.02410	2.1
153.01933	3.5
165.05576	0.7
165.09286	0.7
171.00694	0.6
181.08694	2.1
209.08176	1.9
237.07610	1.2
277.21753	0.8
281.36499	0.5
313.07104	1.1
328.61972	0.6
375.28995	0.8
381.27921	1.0
383.29553	8.6
384.29993	0.9
385.31116	8.6
386.31073	0.9
389.16010	1.4
391.29865	0.7
401.34268	2.9
409.31146	0.7
411.32861	7.8
427.31949	1.4
429.34152	3.8
453.30118	0.7
455.31558	1.7
473.21545	3.6
473.32654	100.0
474.26218	1.7
474.32809	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	473.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58088	0.7
54.38875	0.7
57.03445	0.9
59.01397	1.1
67.48283	0.7
68.18724	0.9
69.08537	1.6
69.08943	5.1
73.02938	1.5
79.88721	0.8
83.01389	5.3
125.26569	0.9
279.23361	7.1
379.26517	2.7
383.29456	0.9
385.31259	2.0
395.29489	7.7
411.28049	1.5
411.33151	11.4
412.33014	1.3
413.32861	1.2
425.33600	2.6
429.29056	1.3
429.34274	3.6
437.29373	2.5
444.29034	6.2
455.31387	6.7
473.33228	100.0
474.32837	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	473.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
60.87114	1.6
68.98315	3.7
68.98730	9.0
69.03419	1.7
78.95894	1.7
83.05010	3.4
85.02921	5.7
205.15974	25.4
357.31772	2.8
383.33087	3.0
401.34094	2.1
411.32370	4.5
429.33701	20.8
457.25220	13.9
473.27936	100.0
474.28336	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	473.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55254	0.7
55.91662	0.6
57.03445	1.4
57.80453	0.6
59.01367	1.1
59.98524	0.7
68.41403	0.8
71.05015	1.4
97.06607	2.2
133.02963	1.1
133.90068	0.7
137.09740	0.9
161.02437	5.8
229.25047	0.7
252.85115	0.8
272.87915	0.7
329.24835	1.4
368.92691	0.9
377.28351	1.3
379.26248	1.3
385.30899	1.1
393.31686	1.3
395.29520	4.8
409.30637	1.5
411.32739	9.5
412.32935	1.1
413.34232	2.5
429.34082	4.9
439.31989	1.0
455.31540	3.6
473.31964	100.0
474.32315	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3276
Annotation	CHEBI:69578
Peak:m/z	Relative Intensity
59.77766	1.4
69.59557	1.3
69.93385	2.4
69.93774	2.1
71.01416	1.3
78.95933	1.6
81.07153	1.4
88.03363	1.5
109.06599	1.5
126.91963	1.5
128.70697	1.2
132.36659	1.2
136.58638	1.3
189.12836	1.6
205.15984	26.8
206.16341	1.7
258.36490	1.3
339.30582	1.9
355.30115	8.9
356.30353	2.5
357.31628	100.0
358.32037	9.8
380.30475	1.4
404.94781	2.0
411.32959	7.5
427.70847	1.6
429.33765	60.1
429.39624	2.8
430.34143	8.4
457.25073	10.8
473.28128	75.6
473.33078	37.1
474.27774	11.5
474.34183	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	473.3281
Annotation	Stoloniferone S
Peak:m/z	Relative Intensity
50.11858	0.7
53.25753	0.7
57.03448	6.0
60.99345	0.6
64.70564	0.6
69.84513	1.5
69.84903	1.3
76.79801	0.7
85.03001	2.6
109.06666	2.0
111.04543	0.9
113.06169	0.9
113.09799	2.7
118.49677	0.8
125.02472	0.9
139.04010	8.5
149.09798	1.0
151.11331	0.9
155.07179	2.1
165.12851	1.2
179.07246	1.4
181.08731	18.3
203.14394	1.0
205.08749	0.8
205.12352	2.4
207.10271	0.8
217.16032	2.0
219.17546	1.6
221.08229	0.8
221.15515	3.2
222.73380	0.8
223.06183	4.2
223.09746	1.3
233.08365	0.7
235.13393	6.6
237.07797	1.2
237.18602	100.0
238.18950	6.5
275.12659	1.0
291.15897	4.2
317.14008	1.0
359.14600	1.3
409.34906	1.0
473.32425	97.5
474.32828	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	473.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13817	0.3
55.17222	0.3
55.24001	0.3
56.11511	0.3
57.03448	6.8
58.47935	0.3
59.01394	0.5
60.26256	0.3
69.03472	0.6
69.06975	0.3
71.05028	0.7
71.28241	0.4
73.02974	0.6
81.03468	0.4
81.31741	0.4
83.01411	0.5
83.05047	0.7
85.02957	1.8
85.06608	0.4
87.04507	0.3
98.52152	0.3
105.38105	0.3
107.59417	0.3
109.02954	0.4
109.06630	1.1
111.04526	1.5
113.06123	0.4
113.09733	2.5
125.02430	1.8
125.06129	0.5
135.08157	0.5
139.04024	6.4
149.09749	0.9
151.11316	0.7
155.07167	1.3
165.09227	0.6
165.12828	1.6
166.06451	0.5
167.14494	0.5
177.12859	0.7
179.07117	1.9
181.08717	19.1
182.09058	2.3
183.09235	1.2
191.07195	0.4
193.08763	0.5
195.06621	1.1
197.08156	0.5
201.12769	0.5
203.14417	1.0
205.08752	0.6
205.12355	1.9
207.10309	0.6
209.08257	3.0
210.08473	0.7
215.14369	0.6
217.15988	1.5
219.13782	0.4
219.17570	1.7
220.11070	0.5
221.15469	3.2
223.06168	3.6
223.09737	1.1
224.06651	0.3
235.09682	0.4
235.13399	6.6
236.13725	0.4
237.07750	4.3
237.18602	98.6
238.08182	0.7
238.18915	7.0
275.12820	0.6
291.12302	0.4
291.15356	0.5
317.13998	0.7
429.34680	0.3
473.32617	100.0
474.33041	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	473.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.7
57.03432	1.9
59.01366	1.0
67.89183	1.0
69.09575	1.7
69.09988	4.0
71.01376	0.8
71.05021	1.7
83.05029	1.5
97.06591	2.0
98.21753	1.4
109.06562	0.8
123.22672	0.7
124.09404	0.7
204.46744	0.8
218.56664	0.7
232.04745	0.7
277.08212	0.7
329.24750	1.6
341.24875	1.0
343.26288	2.3
355.26453	0.9
383.25964	2.2
395.29498	0.9
409.33978	0.9
411.27997	1.0
411.32608	2.9
413.30420	14.2
414.30832	1.3
427.36041	1.0
429.33734	42.9
430.34317	6.0
439.32675	1.1
443.35004	0.8
455.31042	4.1
473.32916	100.0
474.32138	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15156	0.5
50.24996	0.5
56.72171	0.5
56.79166	0.5
57.03450	2.1
60.99319	0.8
61.98836	0.5
66.07793	0.5
68.80077	0.7
68.98906	5.6
71.05019	1.4
76.25745	0.6
83.05040	2.2
85.02473	0.5
97.06602	1.9
111.08214	0.6
112.63424	0.6
116.39745	0.5
125.06090	0.7
146.09955	0.5
156.35614	0.5
159.10272	0.8
191.14426	0.5
299.63074	0.6
329.24921	1.3
341.24728	1.0
343.26395	2.2
355.26587	0.7
357.28015	0.8
383.25858	1.2
385.31320	0.6
395.29446	0.7
399.29034	0.7
409.34583	1.1
411.28870	2.0
411.33633	2.7
413.30612	16.7
414.30783	1.3
429.33783	39.4
430.34146	5.8
443.34631	0.6
455.31650	3.6
473.32971	100.0
474.32394	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	473.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16209	0.4
57.03466	0.6
58.00584	0.7
59.01378	0.6
69.07619	3.5
75.07288	0.5
91.21101	0.5
106.41267	0.4
108.02203	0.5
111.08161	0.5
113.09731	3.2
125.09753	1.6
127.11285	5.9
137.09706	0.5
139.11313	0.5
141.09244	3.3
143.10802	0.9
155.10774	2.4
157.12326	3.4
159.10274	36.7
160.10681	0.9
171.10315	2.3
187.13388	0.8
193.05084	0.5
201.11333	1.5
295.22971	1.4
295.85101	0.5
311.22491	1.0
313.23825	9.4
314.24362	0.9
327.21896	0.7
329.23392	4.2
331.24915	49.5
332.25247	3.5
429.29962	0.6
437.31012	0.5
473.34888	100.0
474.35257	10.8
498.47992	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3643
Annotation	CHEBI:66216
Peak:m/z	Relative Intensity
55.34288	1.0
57.03425	1.4
59.01377	1.3
60.99304	4.0
71.01357	2.0
71.05011	1.1
71.28438	1.2
73.02946	2.5
84.50667	1.0
87.87193	1.1
97.06620	1.1
104.07865	1.2
158.81299	1.0
292.77753	1.0
366.02573	1.5
377.28412	1.8
395.29269	1.1
409.34622	1.8
411.32706	3.7
425.34161	2.1
429.33710	2.0
431.29880	1.7
441.33539	1.2
473.36981	100.0
474.37503	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	473.3636
Annotation	CHEBI:66216
Peak:m/z	Relative Intensity
78.94011	0.3
84.06104	0.3
98.22622	0.8
144.02159	0.3
183.23482	0.3
189.67699	0.3
229.14949	0.4
392.37045	0.3
413.30917	0.8
425.34338	0.5
427.35751	1.3
429.33676	1.4
473.36404	100.0
474.36771	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	473.364
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.8
59.01370	0.9
61.98817	0.5
69.88528	0.8
69.88889	1.3
71.01378	0.6
73.02938	0.5
80.02679	0.5
97.06602	1.4
98.21781	0.5
141.09206	0.9
159.10229	0.5
225.68895	0.4
331.26248	1.1
375.29218	0.6
385.31183	0.8
395.28986	0.5
411.33139	0.5
425.34296	3.2
427.35806	4.8
428.36313	0.6
429.34213	0.9
455.31415	1.9
473.36816	100.0
474.37189	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	473.3637
Annotation	CHEBI:66216
Peak:m/z	Relative Intensity
54.89592	0.3
60.99310	6.1
69.21735	1.8
70.25044	0.3
73.02958	0.4
80.02694	0.4
85.02895	0.3
90.74023	0.3
103.68868	0.3
103.73771	0.3
116.45214	0.4
156.04637	0.3
158.03966	0.3
255.71721	0.3
339.27026	0.5
355.26627	0.8
361.72214	0.3
379.29947	0.4
409.34784	12.1
410.35178	1.2
427.36108	0.9
473.36472	100.0
474.36926	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	473.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.7
57.68465	0.4
60.76016	0.4
64.30180	0.4
70.63506	1.0
71.05031	1.4
76.81225	0.4
191.36552	0.4
307.82489	0.4
325.87183	0.4
409.34348	0.8
411.32965	1.2
413.34256	3.7
414.26141	0.5
429.33987	0.6
473.36621	100.0
474.36938	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	473.3641
Annotation	Sipholenone E
Peak:m/z	Relative Intensity
57.03449	2.5
59.18050	0.4
62.96375	0.4
68.98512	4.5
91.29816	0.5
95.54331	0.5
102.09811	0.5
151.23285	0.5
228.10208	0.5
269.10776	0.6
409.34286	0.6
413.34238	1.5
455.34332	2.6
473.36395	100.0
474.36783	13.1
474.43210	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3647
Annotation	Sipholenone E
Peak:m/z	Relative Intensity
50.79796	0.6
57.03441	3.8
59.01390	0.8
59.98521	1.3
69.03455	3.9
71.01374	1.0
71.05007	1.7
82.85886	0.7
99.00858	0.7
99.04502	0.9
123.08112	0.8
125.02473	2.5
137.09775	1.7
139.11290	0.9
151.54944	0.7
181.55852	0.8
209.15514	1.3
219.13991	0.8
221.15387	0.7
235.16988	0.9
235.20679	1.2
260.15851	0.8
327.28708	1.0
397.31140	1.1
411.32690	1.8
429.37567	2.4
439.32196	1.0
455.31607	0.9
473.19678	2.6
473.36722	100.0
474.37183	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	473.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.5
59.18050	0.4
62.96375	0.4
68.98512	4.5
91.29816	0.5
95.54331	0.5
102.09811	0.5
151.23285	0.5
228.10208	0.5
269.10776	0.6
409.34286	0.6
413.34238	1.5
455.34332	2.6
473.36395	100.0
474.36783	13.1
474.43210	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.9809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51097	0.9
59.01381	5.0
69.54816	1.7
69.55223	2.6
71.01379	1.6
79.26157	0.8
89.02464	1.3
98.21838	1.0
109.02948	1.4
110.12067	0.8
121.02959	1.5
123.00883	0.9
125.02467	4.6
134.02512	1.8
139.04050	1.0
149.01221	2.6
149.02429	1.6
149.99484	1.0
150.01967	2.9
162.01991	2.5
164.03510	5.3
167.03532	1.2
169.01399	1.5
176.03549	1.0
191.02156	1.1
192.03064	1.5
206.04610	1.9
242.04631	1.8
243.03096	0.9
254.04591	1.9
254.91483	0.8
270.04083	10.9
271.04651	2.4
282.04053	1.5
299.00974	1.7
299.04367	32.6
300.04535	1.4
301.00089	1.2
312.05157	2.6
313.05771	1.1
314.06726	100.0
315.07114	7.7
315.83301	0.9
341.50793	0.9
383.96146	0.9
394.02405	75.3
395.02563	5.6
475.14905	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15421	0.9
59.01386	4.0
61.98838	11.8
64.91396	0.8
69.03448	3.5
70.41329	1.5
70.41657	0.8
71.01366	2.7
72.99312	0.8
79.01868	1.0
81.03442	1.0
83.01392	1.5
84.04537	2.5
85.02927	1.9
88.04050	16.5
89.02436	1.5
93.03436	1.9
95.01399	2.4
97.02943	3.0
98.06171	1.0
101.02434	2.0
101.89486	0.8
107.01392	1.8
107.41274	0.8
108.02144	1.1
109.02952	3.0
111.00898	2.3
112.04067	2.1
113.02502	1.3
119.04975	1.0
120.01218	2.1
121.02962	1.4
123.00899	13.8
123.04547	1.4
124.01679	18.4
125.02461	59.9
126.02767	1.7
130.05115	10.2
133.03032	1.0
135.04506	0.9
136.01746	1.1
136.72112	0.8
136.93230	0.8
137.02446	8.1
138.03210	2.7
149.99602	27.5
151.00371	2.7
151.04010	1.7
153.05579	5.5
160.06174	5.3
161.02461	1.9
165.01826	1.0
165.05537	1.2
167.03505	2.7
168.00656	60.0
169.01443	10.8
176.04820	2.1
179.03453	1.8
180.03517	3.7
180.93488	0.8
191.07149	2.2
195.06757	0.8
201.04405	0.9
211.02428	2.0
225.05882	8.2
252.09601	1.2
271.04642	1.3
275.01956	2.0
287.07791	1.2
301.00049	4.0
309.54739	1.0
313.05713	12.2
313.09192	1.5
331.06729	3.0
337.14215	1.1
376.02780	0.9
387.11337	1.1
390.52594	1.5
391.02927	4.3
456.11792	1.6
459.33023	1.1
474.12576	100.0
474.97568	1.2
475.13574	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	474.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93838	7.7
59.01382	100.0
61.98814	17.0
68.14323	7.5
69.70644	8.5
71.01385	61.0
71.29505	15.0
73.02953	22.8
79.47433	8.9
83.01366	9.0
85.02951	30.8
87.00874	11.9
89.02451	45.3
89.87449	8.0
95.01418	10.2
97.02934	18.7
101.02445	61.2
103.04031	14.5
113.02489	25.8
119.03540	17.2
121.03001	10.4
123.00905	25.4
125.02434	67.4
127.50484	8.2
128.05302	9.0
137.02467	15.0
138.91385	8.2
139.00356	13.1
139.04010	64.9
140.01117	9.6
151.00424	12.7
151.04025	17.6
161.04584	29.6
161.08157	12.0
168.00673	19.4
169.01405	70.9
180.04222	16.0
211.02492	35.2
269.10278	18.0
271.04565	59.7
323.13470	17.8
326.53485	8.2
381.88562	7.8
388.57367	8.1
397.96426	8.4
415.12527	13.6
431.15585	54.8
432.15677	11.0
474.16916	34.9
475.13654	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	474.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29672	6.4
57.03461	9.0
59.01386	100.0
61.98835	25.3
71.01389	100.0
71.28314	11.8
72.99303	12.4
73.02951	35.9
81.03477	7.1
83.01404	22.9
85.02960	45.7
87.00867	13.7
89.02451	33.2
95.01411	20.0
97.02921	7.6
99.00853	15.7
101.02450	71.5
108.02185	8.1
111.00888	63.2
112.01310	11.9
113.02448	38.5
119.03531	15.9
123.00933	37.3
123.04545	12.0
125.02463	55.4
130.65199	6.3
135.04533	11.3
137.02483	14.3
139.00360	10.6
139.04045	16.7
141.01936	6.7
149.99516	8.8
151.04031	7.9
152.01204	7.9
160.04065	17.6
161.04553	43.6
163.04044	7.6
164.04826	9.5
165.01996	20.9
167.03528	12.8
168.00667	9.9
169.01454	66.5
179.07167	13.1
203.03606	9.9
211.02531	30.3
269.10358	37.1
271.04614	30.4
275.02011	22.1
296.54874	7.5
300.99750	41.5
304.03741	8.7
323.13861	8.7
331.06256	8.6
376.02399	10.0
391.03195	25.7
431.15533	82.6
474.13388	25.1
475.14761	39.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69732	0.5
59.01262	1.3
68.73602	0.5
69.19202	0.9
69.19604	2.5
78.95768	7.5
78.96280	1.2
123.92867	0.4
140.01192	2.5
152.99469	1.3
159.75711	0.5
195.89130	0.5
196.03722	1.0
214.04924	3.9
277.21732	100.0
278.22144	7.3
413.34387	0.7
456.32559	1.0
473.36664	1.1
474.25940	3.6
474.37195	33.3
475.34464	6.3
475.86792	0.7
491.73755	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02728	0.8
57.03453	2.4
59.01393	2.0
61.14216	0.9
71.29371	0.8
73.02956	1.0
78.95916	35.2
79.25867	0.8
92.55448	1.0
109.91819	1.0
110.37433	0.8
111.08192	1.3
122.00114	1.0
139.11246	1.2
140.01234	5.3
152.99583	3.5
165.09152	0.9
171.00745	1.2
183.10283	9.7
184.10545	6.0
196.03831	11.7
214.04819	3.1
273.18640	3.7
274.18918	5.8
277.21732	100.0
278.22058	7.0
289.21802	2.0
290.22076	3.3
339.01175	1.0
371.22318	1.0
413.35101	1.1
417.30420	1.3
431.31500	1.3
446.13004	1.0
456.32190	2.0
474.26257	22.5
474.33276	24.4
475.34796	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	475.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55462	0.3
57.03435	1.0
59.01098	0.6
59.01382	10.9
61.88249	0.4
69.25381	0.7
69.25789	1.6
71.01034	0.6
71.01389	7.9
72.99321	0.8
73.02937	0.9
75.00871	2.1
77.03952	1.2
78.00367	0.3
83.01412	0.4
85.02477	0.7
85.02961	7.6
87.00858	2.0
89.02439	1.6
93.03461	3.0
95.01379	2.5
97.02964	0.4
98.21811	0.8
99.00883	2.9
101.02474	0.7
103.00385	1.3
105.03490	0.8
109.02906	0.4
111.00847	0.4
113.02455	13.5
115.00333	1.0
117.01919	1.6
117.03452	0.4
119.05018	0.6
121.02975	2.2
123.04523	2.5
125.02446	0.4
129.01930	0.4
132.02060	0.3
133.02979	0.5
134.03793	0.7
135.04543	0.7
137.02437	1.2
138.64561	0.4
145.02934	0.5
149.02444	1.7
151.04057	0.7
165.01926	1.4
171.04514	0.4
173.06020	0.5
175.02502	2.9
175.03870	0.6
177.01938	1.4
179.03490	1.8
181.06509	0.7
185.06168	0.6
187.04007	0.5
196.05402	0.6
197.06310	0.4
197.08528	0.4
199.07646	1.4
201.05551	1.6
203.07127	0.5
209.06027	0.5
211.03912	0.5
213.05644	0.6
225.05614	1.3
227.03523	4.2
227.07147	1.1
239.03502	0.7
240.04359	3.1
241.05057	3.4
243.06618	5.1
244.00198	0.4
253.05110	1.2
255.03024	4.2
255.05576	0.5
255.06761	0.6
256.03741	1.9
257.04614	0.9
269.04492	0.9
270.05164	0.4
271.06192	2.3
281.04489	2.4
282.05240	0.8
284.03296	2.7
285.03873	0.7
292.92264	0.4
298.04843	0.8
299.05612	100.0
300.05988	7.2
313.03534	0.9
314.04224	0.9
415.23196	0.5
475.08044	2.2
475.21985	0.9
475.30692	1.4
476.09412	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.6
57.03433	1.1
58.00577	0.4
59.01386	6.5
68.99827	0.3
69.42255	1.7
71.01383	5.8
72.99284	1.1
73.02923	0.6
75.00875	2.5
77.03968	1.7
79.01884	0.4
83.01389	0.4
85.02485	0.5
85.02959	7.7
87.00866	2.2
89.02438	0.8
93.03458	3.1
95.01378	2.4
95.80963	0.4
96.23240	0.4
97.02911	0.3
99.00892	3.2
103.00374	1.6
105.03469	0.9
105.25519	0.4
113.02453	10.1
115.00371	0.7
117.01925	0.9
121.02964	3.6
123.04543	2.2
129.01913	0.8
131.05061	0.5
133.02965	0.6
143.05013	0.9
149.02420	0.9
156.05794	0.6
159.04491	2.0
161.81984	0.4
165.01956	1.0
171.04564	0.4
173.06357	0.4
175.02487	2.1
177.01926	2.7
181.06537	0.5
183.08151	0.9
184.05266	0.8
184.96573	0.4
187.04039	1.0
197.06099	0.9
199.07658	3.0
201.05499	0.8
212.04671	0.6
214.02513	0.4
215.07050	0.4
216.43736	0.4
221.24092	0.3
225.05556	2.1
226.05984	0.4
227.07106	1.5
240.04449	0.4
241.05057	2.6
242.05441	0.5
243.06624	7.2
253.05008	1.2
254.05692	0.9
255.06599	0.6
269.04581	2.2
271.06201	2.7
281.04669	1.1
282.05450	0.4
298.04813	0.6
299.05615	100.0
300.05981	7.7
312.06253	0.4
464.16809	0.4
475.08743	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51328	1.1
57.01872	1.2
58.02423	1.2
59.01387	7.7
61.98817	1.3
62.91863	1.1
65.00324	1.3
68.98267	3.1
68.98676	10.1
71.01379	1.8
82.88039	1.1
83.05038	1.6
90.82983	1.1
96.96015	2.4
98.21702	2.6
99.92556	1.1
107.01382	1.6
109.02959	2.8
121.02954	1.8
123.00922	2.3
125.09708	1.7
135.00900	2.4
137.02373	1.5
148.01660	2.4
153.01904	1.4
155.10846	1.6
159.04538	1.4
160.05240	3.0
161.02486	1.6
162.03200	1.6
163.00404	3.4
164.04764	2.7
171.94351	1.1
173.06044	1.5
174.03185	1.4
178.99873	12.6
179.07185	1.7
181.05174	1.4
186.06859	1.3
187.04060	2.0
188.04710	1.3
190.02640	1.7
190.06334	2.2
190.99896	5.2
192.00667	6.8
198.03236	2.1
199.04059	2.8
203.03442	2.0
205.08714	1.5
211.04150	6.5
211.05785	1.4
218.05756	1.3
226.02681	4.5
227.03499	10.0
229.05067	1.6
231.66339	1.5
239.03481	6.5
243.03102	2.9
254.02046	1.8
255.03024	17.5
256.03522	2.3
271.02490	38.2
272.03122	3.6
273.04156	1.9
282.01859	3.0
283.02484	26.2
284.02908	2.2
299.01913	7.5
300.02808	5.2
301.03577	6.1
311.01852	7.1
328.02258	82.4
329.03021	100.0
330.03363	6.2
341.27338	1.3
355.08020	1.9
385.13037	11.7
475.08856	59.3
475.15479	2.8
475.21664	2.7
476.09146	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	475.116
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40684	0.9
53.29230	0.6
59.01365	2.9
61.98824	2.3
69.03455	0.7
71.01373	3.0
81.08610	0.9
85.23179	0.8
87.00873	0.8
92.78216	0.8
95.01410	1.3
96.96967	1.5
101.00964	5.1
102.98864	1.9
111.00909	1.2
113.00961	1.7
117.00449	5.7
123.00883	2.2
125.00934	2.5
125.02444	2.7
126.98894	2.1
127.02528	1.4
129.00404	0.8
137.02475	0.9
141.00432	3.7
144.99985	0.9
153.00426	2.9
153.01971	0.6
155.02034	2.5
156.98409	1.8
161.02495	0.9
167.02010	1.8
168.99944	2.2
169.01427	1.8
169.03592	1.2
171.05113	1.0
180.98447	2.1
183.01558	1.7
184.97920	1.4
195.01523	1.0
198.99443	4.0
204.98517	1.1
208.97975	1.1
209.01608	1.5
222.99475	17.8
223.99646	1.7
225.01093	2.2
226.98987	2.5
227.02547	1.4
229.01215	1.0
237.01076	1.8
239.02646	2.0
241.00575	7.2
243.03906	1.0
246.99503	2.2
247.99518	0.8
250.98923	1.2
251.02625	5.7
252.02760	1.0
253.04149	7.6
255.02341	1.6
257.00787	0.8
261.00919	0.8
265.00494	6.1
265.04047	2.1
266.00580	1.4
267.02161	2.1
269.03738	3.6
271.05267	3.1
272.18378	0.8
273.08301	3.3
275.02182	3.2
277.04510	0.8
279.02225	0.8
281.03864	2.4
283.01715	3.9
291.02069	0.9
295.01697	2.4
295.05228	2.3
298.99466	1.0
300.99823	5.1
305.03378	0.9
307.05188	1.1
323.04562	1.2
331.05640	0.9
343.03809	4.1
355.07220	1.3
356.99863	1.3
371.06784	2.2
373.08536	1.3
391.03159	3.0
415.09497	100.0
416.09695	16.2
433.10623	9.0
475.11343	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1248
Annotation	Kaempferol 7,4'-dimethyl ether 3-glucoside
Peak:m/z	Relative Intensity
59.01387	3.7
62.19318	0.7
70.78277	0.9
70.78616	1.0
71.01389	1.1
76.49522	0.6
89.02471	1.7
95.37526	0.7
97.50346	0.7
101.02481	1.0
109.02952	1.4
121.02975	2.2
135.00909	0.8
137.02541	0.7
148.01659	1.0
149.02483	2.4
160.35394	0.6
163.00476	1.1
165.01991	2.1
176.81085	0.7
185.06017	0.8
197.06023	1.0
213.05595	3.4
225.14960	1.5
225.94540	0.6
226.02614	0.8
229.05042	1.8
241.05110	4.1
257.04559	6.2
269.04544	2.5
270.01706	1.1
285.04059	62.2
286.04373	4.5
299.05585	1.4
313.03577	100.0
313.06927	4.9
314.04248	25.9
315.04648	1.2
328.05896	24.3
329.06619	16.2
330.07114	0.8
447.12747	0.9
475.12457	84.8
476.12762	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	475.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25338	0.5
53.82759	0.4
57.21469	0.4
59.01390	3.5
59.53556	0.5
60.77400	0.5
63.38171	0.5
69.78959	0.5
71.01389	1.3
73.02940	0.5
76.35756	0.8
79.73770	0.5
85.02966	0.9
87.75397	0.4
99.00935	0.5
101.02456	1.4
109.02976	0.5
113.02457	0.6
121.02975	0.6
133.02969	0.9
150.55940	0.5
161.04619	0.7
165.01935	0.9
236.27657	0.5
241.05141	1.9
255.03017	0.9
269.04550	8.3
270.05319	31.9
271.05652	2.0
283.06064	0.8
292.00574	0.5
297.04028	7.1
298.04825	100.0
299.05338	11.5
311.05405	0.5
312.06482	2.7
313.07181	96.4
314.07523	5.6
475.12552	9.1
476.12708	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03403	0.3
59.01322	3.4
59.01638	0.7
59.33749	0.3
61.98769	0.5
69.13548	2.1
71.01319	1.3
72.99242	0.5
75.00840	0.3
76.35748	0.3
79.01897	4.4
83.04981	0.6
85.02881	0.9
89.02390	0.9
101.02371	0.4
111.00809	0.4
111.04459	0.4
113.02399	0.5
117.03445	0.8
119.03508	0.3
123.08027	0.3
125.02461	0.3
125.09650	0.4
137.02371	0.4
149.02464	0.3
151.00383	13.5
152.00635	0.6
155.07068	0.5
161.04485	0.3
164.01155	0.3
177.01880	0.7
178.02701	0.6
178.99872	1.3
179.03348	0.3
179.07065	0.3
183.06671	0.3
187.09752	0.3
195.06595	0.3
197.06026	0.6
198.06891	0.4
205.01338	0.4
210.06813	0.3
211.03903	0.7
213.05539	0.3
214.06310	0.8
225.05508	0.5
226.06374	1.4
235.09689	0.3
241.05092	1.7
241.08711	2.1
242.05920	1.8
253.04987	0.7
254.05850	3.1
269.04593	1.6
269.08313	0.6
270.05402	2.3
271.05557	0.5
297.04010	2.4
298.04837	38.6
299.05148	2.7
312.06323	0.6
313.07190	100.0
314.07553	6.4
319.12021	0.3
331.24982	1.0
390.68137	0.3
401.30847	0.5
415.28775	0.4
431.31821	5.5
432.32181	0.6
474.33093	0.9
475.12189	1.8
475.30762	19.8
476.30917	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	475.125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97569	0.3
59.01337	1.5
71.01363	0.7
73.02912	0.4
76.35710	0.4
79.01900	3.7
85.02959	0.8
85.06574	0.4
96.55953	0.4
109.02965	0.4
109.06568	0.4
111.00864	0.4
111.04527	5.2
113.02303	0.4
117.03460	2.9
121.02922	0.5
127.00311	0.5
133.02946	0.5
133.77386	0.4
135.04466	0.6
149.02405	1.3
149.06068	0.5
150.99210	0.8
151.00377	14.0
164.01175	0.4
177.01968	4.7
178.02620	0.5
178.99869	2.3
179.03436	0.4
181.08665	1.8
183.06372	0.4
193.08553	0.8
195.06638	1.0
197.06026	1.5
198.03304	0.4
205.01392	0.9
211.04028	0.6
214.06351	1.2
225.05562	1.0
226.06270	1.5
227.99222	0.4
229.36830	0.4
239.05649	1.1
241.05042	1.9
241.08673	1.3
242.05855	2.0
253.05013	1.2
254.05841	3.4
269.04590	5.6
269.07709	0.8
270.05328	2.4
297.04062	18.1
298.04831	41.4
299.05228	2.5
312.06409	9.9
313.07199	100.0
314.07535	7.8
343.20087	0.5
344.86429	0.4
381.28113	0.3
399.18152	0.5
431.31396	1.0
457.18732	1.1
458.18985	0.5
474.29047	0.5
475.12552	28.9
475.19507	2.4
475.30008	2.9
476.12714	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	475.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.7
57.03441	2.7
58.00589	2.2
59.01380	15.0
59.78533	0.6
67.01891	0.6
68.62324	0.6
68.99827	1.1
71.01386	12.5
72.99321	3.3
73.02570	1.1
73.02950	12.7
74.03270	2.0
75.00874	14.8
83.01393	1.2
85.02955	19.0
87.00890	6.6
88.67944	0.6
89.02432	3.3
93.03462	1.6
95.01387	4.8
98.22622	1.2
99.00889	8.4
101.02444	0.8
103.00394	1.8
103.53757	0.6
113.02459	24.9
115.00368	2.0
117.01965	2.8
119.57626	0.6
121.02964	100.0
122.03307	2.5
123.04512	0.7
124.82823	0.7
125.06018	1.1
129.01956	2.0
135.04500	0.7
137.02446	3.4
138.71078	0.6
155.03539	0.6
157.01398	1.7
175.02534	3.2
175.03891	0.8
193.08685	1.5
197.08173	1.5
231.05136	1.6
275.01926	0.7
298.05042	1.4
313.07120	3.6
331.24976	0.7
353.08771	10.2
398.31277	1.0
418.78922	0.6
430.33929	1.7
457.18591	1.1
474.33096	50.1
475.12457	27.1
475.26804	3.0
475.33469	48.4
476.12796	3.7
476.33765	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	475.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	18.7
69.08374	100.0
76.57294	10.1
77.29071	9.8
77.69948	10.2
78.94884	10.5
98.21772	18.5
115.00391	25.0
123.00902	16.9
125.02463	16.1
131.04497	13.6
132.94667	21.1
133.00424	11.0
133.01408	47.9
133.05045	16.3
148.95027	10.7
169.01418	11.2
190.38928	12.2
239.81691	12.5
275.01950	18.5
300.99902	27.7
341.10989	28.1
377.08749	13.5
391.03125	22.2
504.33542	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	475.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
60.60772	10.3
62.51789	9.3
68.98347	100.0
68.98734	18.6
71.01396	16.0
76.18524	10.9
78.69895	11.7
95.34570	11.0
98.21830	25.2
115.00372	27.6
132.03070	15.3
133.01463	53.5
168.27921	10.8
191.05548	17.5
191.28053	11.5
215.54027	11.1
284.36884	11.7
433.65793	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	475.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20411	1.3
59.01381	51.3
61.12683	1.1
66.49907	1.1
67.01873	2.0
69.69328	4.1
69.96528	1.1
71.01383	9.9
75.00858	1.4
83.17872	1.3
85.02926	2.4
87.00893	1.6
89.02453	13.5
95.01408	1.4
97.02962	1.5
99.00890	1.5
101.02426	4.9
104.20130	1.1
107.01369	4.1
108.36063	1.1
108.84857	1.2
110.64117	1.3
111.00847	2.5
111.38049	1.1
113.02436	5.4
118.09231	1.1
119.03481	4.0
123.00897	8.2
124.01685	2.9
125.02453	29.2
131.03529	1.2
137.02473	1.6
139.00363	4.4
139.04007	4.7
140.01187	3.2
143.07094	2.4
149.02362	1.4
151.00348	3.7
151.04005	1.5
161.08191	1.7
168.00621	12.7
169.01433	43.6
179.07104	2.0
180.04190	1.3
181.34569	1.2
185.61629	1.2
195.06821	1.3
211.02496	49.1
212.02829	3.1
233.83658	1.2
237.69164	1.2
271.04599	86.8
272.04840	4.3
289.21347	1.2
300.99786	2.0
313.05829	1.6
323.13437	23.4
331.06711	11.8
413.14581	5.1
415.12476	20.0
440.20367	1.6
457.13675	1.8
475.14474	100.0
476.14975	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	475.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00459	0.8
59.01387	14.1
69.03450	3.3
69.36748	5.8
71.01388	7.5
71.05000	2.3
73.02932	2.9
81.03445	1.4
83.01374	2.1
85.02943	3.3
88.57303	0.9
89.02432	4.4
95.01381	2.9
97.02943	4.2
99.04516	3.8
101.02432	5.7
103.04012	3.9
107.01385	1.4
107.05022	3.2
108.02186	1.4
109.02937	2.0
111.00841	1.0
113.02441	1.9
115.03995	2.8
116.66841	0.9
117.05602	5.6
119.03527	2.0
123.00900	9.3
124.01669	19.4
125.02455	57.7
126.02744	1.1
135.00890	1.3
137.02481	7.4
143.03532	0.9
145.05070	1.2
149.04570	1.3
149.99596	31.2
151.00348	3.5
151.04031	1.9
161.06958	1.0
161.08231	11.7
163.06090	3.5
167.03494	4.3
168.00653	63.0
169.01459	8.0
192.21745	1.2
218.28748	0.9
275.85370	1.1
307.10294	4.2
313.05713	14.4
331.06934	2.2
457.13214	1.5
475.14566	100.0
476.14798	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	475.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.5
57.03442	2.8
59.01384	60.6
63.69281	2.1
69.03438	2.8
71.01384	60.4
71.74796	2.0
73.02959	19.4
79.16046	2.3
83.01380	15.9
85.02953	25.5
87.00926	3.9
89.02434	7.4
95.01389	4.5
97.02954	4.2
99.00894	7.8
101.02447	54.4
113.02451	22.5
123.00903	2.5
125.02504	11.0
136.72255	2.2
143.03482	2.8
159.03001	5.4
161.04585	28.8
163.06157	2.7
169.01430	2.1
247.08284	4.0
253.88899	2.4
269.10324	78.2
270.10568	3.4
302.61383	2.3
349.61902	2.2
386.06424	2.4
415.16089	100.0
416.16531	7.5
475.10681	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	475.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32970	0.9
57.03446	2.1
59.01381	7.2
62.76476	0.8
68.99825	1.5
71.01395	1.2
71.05021	1.6
73.02934	1.5
75.79568	1.0
81.03429	0.8
83.05043	1.3
83.09014	1.0
85.02957	4.3
85.06602	2.5
87.00842	1.0
87.04530	2.7
95.01385	1.2
95.05029	3.9
109.02959	2.0
109.06580	3.5
111.04530	28.4
112.00009	1.1
113.02470	1.4
113.06087	1.1
113.09719	1.0
116.88584	1.0
123.08194	1.2
125.06107	1.4
127.07668	5.1
135.04561	1.6
139.07660	1.1
140.14525	0.9
141.01958	1.9
149.06102	2.2
151.00352	1.3
151.03957	1.1
151.07613	1.7
153.05534	1.4
153.09212	2.0
155.07088	1.8
159.51813	1.1
163.11295	1.6
165.05568	2.0
165.09163	1.5
167.03462	3.1
167.07137	4.1
169.08705	1.9
175.11218	1.1
177.09119	1.1
179.07164	4.4
181.05115	2.0
181.08731	8.5
182.05829	11.7
183.06635	20.8
191.07208	1.1
192.07933	1.6
193.05110	2.7
194.05804	1.8
195.06621	2.5
197.04491	2.1
197.08203	22.7
203.07179	1.0
207.06519	1.5
207.10335	2.2
209.08179	1.4
209.11760	1.5
211.06218	2.7
217.12337	1.3
219.10291	2.8
220.11057	1.2
221.08179	3.5
221.11647	1.2
223.06003	1.8
225.07712	3.5
231.10052	1.0
233.11859	1.3
235.09778	19.5
237.11353	7.1
239.05620	4.1
239.09274	3.3
249.11221	1.3
261.11319	2.9
263.09241	6.7
277.10895	2.0
279.12408	6.8
305.10251	3.5
369.28049	1.7
383.29352	2.5
389.19772	2.1
413.30655	1.6
415.17453	1.4
415.32074	1.9
431.20514	2.3
431.31619	5.0
433.18289	1.3
440.21127	1.1
474.32974	10.6
475.19724	63.5
475.34503	100.0
476.20349	7.4
476.35245	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	475.1989
Annotation	Platyphylloside
Peak:m/z	Relative Intensity
51.01119	0.4
58.46854	0.4
58.47198	0.4
59.01337	1.0
59.63858	0.4
68.39436	0.7
76.86198	0.4
96.99832	0.4
98.22529	1.2
108.02145	0.7
109.02962	16.1
111.04539	8.4
113.09727	0.5
120.18174	0.4
127.00332	1.1
135.04491	0.8
161.04413	0.4
161.56593	0.4
173.06059	3.9
180.17348	0.4
181.08641	0.6
188.98802	0.4
189.09164	1.6
195.06535	1.0
209.11348	0.5
224.04826	0.6
225.05527	1.5
239.05554	2.1
240.04118	0.5
241.05069	40.9
242.05785	10.3
243.06186	0.6
256.07431	0.5
269.04501	0.6
281.11755	1.5
284.75241	0.4
288.06396	0.5
297.11288	3.0
298.04962	1.1
298.12119	16.1
299.12488	1.1
311.12842	0.9
312.13153	0.6
313.14462	100.0
314.14853	8.0
399.18289	0.8
431.28116	0.7
475.12589	1.0
475.19873	3.7
475.27203	2.3
475.34402	22.4
476.34503	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2337
Annotation	Trillenogenin
Peak:m/z	Relative Intensity
54.60725	0.9
57.02426	0.8
57.03446	2.4
59.01376	1.8
69.03448	1.2
70.12092	3.0
71.05000	1.0
80.47463	1.0
85.02968	5.2
85.06624	1.4
93.03436	1.1
95.01387	5.9
95.05004	1.4
96.02174	1.2
97.02940	1.2
99.08146	2.6
100.18697	1.0
101.06087	0.9
109.02964	1.8
109.06587	1.5
111.00896	1.0
111.04519	3.6
111.08178	0.9
113.02452	8.2
113.09714	3.8
120.47542	0.7
122.03808	0.8
125.06091	3.4
125.09695	0.9
127.07645	1.0
137.02425	1.5
138.03204	1.7
152.70615	0.8
153.09204	1.7
165.01950	0.9
165.05559	2.2
166.06339	1.9
177.09232	1.4
177.16985	0.8
179.07178	5.6
180.07973	1.7
181.05130	1.1
181.08722	23.6
183.06638	8.3
193.08658	4.8
195.10283	3.6
197.08182	16.2
207.06651	4.4
221.08202	9.7
224.07007	0.9
225.07697	43.3
226.08044	2.0
233.11562	1.0
239.09264	100.0
240.09660	4.9
251.12894	2.7
293.13956	13.2
294.14285	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.0
65.78358	2.8
71.01384	3.4
71.17948	5.5
73.02967	3.7
79.86885	2.9
125.56001	3.2
149.89435	3.0
165.48689	3.4
181.08736	3.6
194.84293	3.2
211.20082	2.9
225.07722	10.3
239.09258	9.9
387.92743	3.3
457.33295	4.9
475.34698	100.0
476.34756	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	475.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.0
65.78358	2.8
71.01384	3.4
71.17948	5.5
73.02967	3.7
79.86885	2.9
125.56001	3.2
149.89435	3.0
165.48689	3.4
181.08736	3.6
194.84293	3.2
211.20082	2.9
225.07722	10.3
239.09258	9.9
387.92743	3.3
457.33295	4.9
475.34698	100.0
476.34756	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	475.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52959	0.9
57.03447	5.7
59.01384	100.0
69.02869	9.3
71.01388	17.4
72.99296	1.8
73.02943	4.6
85.02946	6.8
86.07137	1.0
89.02460	8.4
95.01371	1.5
99.00869	2.1
99.04523	3.7
101.02448	11.1
111.00912	1.5
111.15501	1.0
113.02448	5.3
119.03509	3.7
125.02463	2.5
143.03502	1.5
145.02991	1.2
161.04558	11.1
167.03636	1.6
169.01353	1.2
179.05696	2.7
183.10245	1.4
197.24353	1.2
223.34911	1.2
259.47614	1.2
299.01959	1.4
318.94366	1.1
415.23410	15.9
475.12714	1.2
475.21616	3.2
475.25748	1.1
476.12350	1.4
476.21735	1.3
492.64661	1.1
493.65601	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98107	0.4
57.03437	0.5
57.52031	0.6
59.01383	100.0
59.31029	0.4
60.01703	0.9
69.10081	1.3
69.10495	2.9
71.01387	7.5
72.06811	0.6
73.02956	1.4
83.01408	1.2
85.02943	2.8
89.02454	5.2
101.02462	4.5
101.86964	0.5
113.02483	3.7
119.03535	1.3
123.04531	0.8
137.02480	0.9
137.50101	0.5
161.04550	4.6
179.05707	0.9
193.08696	2.4
238.19983	0.5
249.78697	0.5
257.56815	0.5
262.59048	0.6
281.06711	0.8
295.19138	7.0
297.04227	0.5
297.11615	0.5
298.04718	3.0
313.07330	3.0
313.10342	3.1
332.11331	0.6
345.19205	3.0
415.23636	2.2
475.16125	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35471	0.4
57.03458	0.4
59.01382	100.0
60.01715	1.2
64.54993	0.5
69.19611	3.5
71.01385	6.3
73.02969	1.8
81.78529	0.5
85.02962	2.4
89.02450	2.7
99.00915	0.6
101.02454	4.9
113.02488	2.6
119.03498	0.8
130.76817	0.4
137.85806	0.5
159.03046	0.8
161.04578	5.7
271.02664	1.2
299.02081	2.1
314.04535	1.8
329.06720	2.6
345.19217	3.2
415.23184	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	475.2718
Annotation	Lucidenic acid C
Peak:m/z	Relative Intensity
50.31367	0.3
57.03228	0.3
57.03452	4.2
58.00584	0.6
59.01383	2.1
59.01627	0.4
69.03449	0.9
69.17821	1.7
69.18230	0.6
71.05024	0.7
73.02954	0.4
83.01388	0.4
83.05022	0.7
85.02954	4.7
85.06602	0.5
87.04491	0.9
93.03460	0.3
95.01392	1.0
95.05032	1.3
97.02937	0.8
97.06586	0.6
99.04480	0.3
99.08167	2.0
101.06100	1.2
105.78738	0.3
107.05013	0.6
109.02936	0.9
109.06599	2.4
111.04532	3.1
111.08176	1.0
113.02490	1.7
113.09735	1.2
122.03779	0.6
123.04543	0.7
123.08191	0.7
125.02467	0.7
125.06082	3.0
125.09727	0.8
127.11270	0.4
133.06573	0.4
135.04544	0.4
135.08167	1.1
137.02457	0.8
137.06053	0.9
137.09700	0.9
138.03253	0.6
139.11343	0.4
147.08156	0.4
149.02425	0.6
149.06117	0.5
149.09772	0.8
150.03207	1.1
151.04018	1.4
151.07588	0.6
151.11295	0.4
153.01938	0.4
153.09200	1.1
155.07098	0.6
155.14430	3.3
156.33536	0.4
159.10257	2.7
160.10634	1.5
161.10857	0.6
162.83926	3.2
163.03999	0.6
163.07701	0.5
163.11363	0.4
164.83591	2.5
165.05562	0.5
165.09308	0.8
166.02597	0.5
167.10786	0.4
169.08783	0.6
175.11311	0.4
177.01970	1.9
177.05574	0.8
178.02684	0.5
179.07182	1.4
181.05046	0.6
181.08678	2.6
181.12378	0.3
183.06602	1.7
183.10271	1.6
183.13936	3.4
185.15494	2.9
191.07233	0.5
192.07936	1.0
193.08745	1.6
195.06633	1.6
195.17563	1.5
197.04472	0.6
197.08202	10.7
197.15509	0.5
198.08595	0.4
205.08720	0.8
206.09447	1.4
207.06609	0.7
207.10292	0.4
209.08174	3.5
211.06166	0.5
211.09650	0.8
213.14911	2.5
219.06596	1.1
219.10161	0.4
221.08197	1.1
222.08899	2.1
223.06155	0.5
223.09680	0.3
223.17033	1.1
225.07729	2.3
233.08148	0.8
234.08971	1.2
235.06169	0.9
235.09729	0.9
237.07634	1.5
239.05606	0.9
239.09219	2.7
248.10483	0.9
249.07724	0.6
265.07147	1.0
271.16971	0.6
273.14923	1.7
275.20163	0.9
291.23309	0.7
293.14038	0.7
293.21359	0.4
313.18344	0.4
331.19241	2.1
331.24881	0.5
332.25171	1.1
333.20749	0.5
333.25504	1.7
349.20227	3.7
350.88242	0.3
357.20740	0.8
373.20123	1.2
374.20865	0.7
375.21707	1.4
387.21542	0.5
389.19711	0.5
395.18741	0.4
397.23669	0.3
415.24948	4.9
416.25281	0.9
427.34100	0.6
429.26443	1.5
431.28058	1.0
433.25793	0.8
439.24835	0.8
457.26114	22.9
457.33267	4.2
458.26227	2.3
458.32764	0.7
460.24402	0.7
473.34683	0.6
474.34900	0.5
475.26987	100.0
475.35989	49.0
476.27322	11.6
476.36420	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	475.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	0.7
59.01360	0.7
61.14082	0.4
71.01370	1.1
71.29303	0.5
71.29668	0.5
78.66766	0.4
78.95878	1.6
80.20597	0.4
97.51688	0.4
105.73304	0.4
111.08164	0.6
145.02847	0.4
145.18927	0.4
183.10130	0.9
214.34459	0.5
277.21701	0.8
278.22107	2.4
347.67975	0.4
371.29431	0.5
387.32245	0.8
413.30569	8.4
414.30737	1.2
429.29889	1.2
431.31705	23.2
432.31863	2.6
449.32559	0.6
457.28992	0.9
474.35638	0.5
475.30344	100.0
476.30710	12.0
493.31732	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3069
Annotation	Polyporusterone B
Peak:m/z	Relative Intensity
50.06474	1.5
51.50991	1.5
57.03435	2.1
57.16023	1.8
59.01362	2.5
61.98827	2.4
71.28824	2.2
96.53586	1.7
106.13225	1.8
145.02957	11.8
371.29510	4.5
379.26221	2.2
381.24194	7.7
397.27420	21.2
413.30722	25.0
415.28220	2.2
431.31583	8.6
457.29025	4.4
475.30429	100.0
476.30591	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	475.3069
Annotation	3beta-Malonyloxy-15-isovaleryloxy-ent-labda-7,13E-dien methylester
Peak:m/z	Relative Intensity
55.54062	0.5
57.03432	0.9
59.01380	1.4
69.13583	4.2
71.01389	2.8
73.02934	1.1
85.02921	0.7
87.04512	0.6
99.00876	0.9
111.04501	1.2
113.13000	0.6
118.49021	0.6
125.02385	1.0
179.07164	1.0
197.08203	1.2
209.08049	0.9
237.07762	0.7
367.30014	1.1
385.30975	1.3
413.30392	2.3
420.84561	0.8
429.29797	0.9
431.31708	30.8
432.32245	3.5
457.29169	1.2
471.79163	0.7
475.30438	100.0
476.30859	11.3
479.26257	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	6.8
59.01373	7.6
61.98833	3.6
71.05012	5.7
75.00887	30.7
87.04517	3.2
89.27884	2.7
94.91153	3.2
97.06595	5.9
102.76160	2.6
111.08231	3.0
143.07217	4.2
145.84045	2.9
203.17052	3.0
313.18896	3.0
385.27399	7.9
431.31665	9.5
457.33240	13.3
475.29999	55.2
475.34436	100.0
476.34695	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	475.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13461	0.7
51.79183	0.6
57.03458	3.7
59.01359	2.2
60.99307	0.8
69.11287	6.2
83.05019	1.2
83.76528	0.7
87.04528	1.2
109.06569	1.4
111.04539	4.9
124.01566	1.1
127.07587	0.9
148.35915	0.7
179.07137	1.6
182.05756	2.1
195.06743	0.9
196.07640	0.8
197.08244	4.5
209.11842	16.4
216.96848	0.9
235.09753	1.2
287.14011	0.7
287.78470	0.9
305.10242	1.5
337.14438	0.8
371.25565	2.0
373.27481	40.6
374.27985	4.2
383.29550	1.0
413.30511	1.5
431.31696	43.0
432.32089	4.8
473.31326	1.2
475.30493	100.0
476.30981	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	475.307
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89279	0.3
53.64523	0.3
53.82339	0.3
57.03445	0.4
58.89075	0.4
59.01376	1.4
61.98825	1.4
64.65858	0.3
71.01376	0.6
71.05019	0.4
71.27770	0.5
73.02934	0.4
81.03452	0.4
83.05031	0.4
85.02956	0.5
95.05061	0.4
111.04555	0.5
145.08711	0.5
162.45403	0.4
181.08681	0.7
183.06633	0.8
197.04576	1.2
199.54561	0.4
214.44850	0.3
239.05653	0.8
285.04089	2.5
298.04971	0.8
313.03564	2.5
313.07138	0.9
314.04221	0.7
328.05881	2.5
329.06619	2.4
331.25095	0.4
343.21332	0.4
347.24307	0.6
355.41266	0.3
369.28177	0.5
371.26120	0.7
407.77029	0.3
413.30646	100.0
414.31042	12.5
414.35269	0.2
431.27673	1.2
431.32089	1.0
443.31085	0.6
473.31558	0.9
475.12869	1.9
475.31067	35.3
476.31329	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3066
Annotation	Polyporusterone B
Peak:m/z	Relative Intensity
55.01886	0.5
57.03431	0.6
59.01374	3.2
69.03448	0.6
69.13786	3.9
69.18810	0.5
71.01379	0.8
71.05023	0.8
72.99297	1.3
73.02909	0.7
83.01418	0.5
83.05024	0.5
85.02943	1.0
90.69342	0.6
91.64044	0.5
95.05020	0.7
97.06579	0.6
98.22499	0.7
99.04513	0.6
109.02959	0.8
109.06532	0.9
111.00807	0.5
111.04514	1.9
111.08121	0.7
116.43697	0.5
118.50851	0.5
121.00488	0.6
122.95589	0.4
137.09792	0.7
151.03993	0.6
151.32814	0.5
153.01950	1.1
153.31076	0.5
181.05122	0.8
181.08717	10.7
183.06638	1.2
195.06635	1.5
197.04503	1.5
197.08124	1.1
209.08057	0.6
211.06071	0.6
225.07581	0.7
235.09717	0.6
238.90921	0.7
239.03662	0.7
239.05661	7.2
313.14377	1.1
331.25104	0.6
351.26828	1.5
355.30026	2.4
367.25916	1.0
367.30069	9.6
368.30368	1.2
369.27689	1.0
369.31699	1.2
381.27991	1.2
383.29480	2.8
385.31250	4.8
387.32736	10.4
388.33057	0.8
401.30563	0.8
413.30658	21.8
414.30872	1.8
431.31686	34.8
432.32281	2.9
457.29568	4.4
475.30588	100.0
476.30899	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	475.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	3.4
60.25266	3.5
61.98841	4.1
63.20439	3.4
71.28789	4.6
85.02943	3.9
95.01433	4.2
95.05013	9.0
97.02952	4.7
111.04497	6.7
121.02922	3.1
123.08157	3.3
125.06095	11.5
137.09702	5.1
139.04012	16.2
151.04018	4.9
165.01994	4.7
165.09216	12.7
169.04961	5.4
179.07135	6.2
179.10780	23.1
181.22203	3.6
183.06711	3.4
195.06624	3.8
197.08209	13.9
209.06210	4.1
209.08195	81.5
211.09676	3.8
214.27893	3.4
221.08147	8.5
223.09775	100.0
224.10127	9.2
225.07719	14.0
225.10327	3.1
235.09718	13.3
239.09264	62.5
240.09860	5.5
251.09253	31.3
265.10791	17.5
411.35724	5.7
457.18442	4.2
475.19986	15.5
475.37094	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	475.3428
Annotation	25-Methyldolichosterone
Peak:m/z	Relative Intensity
52.98708	1.7
69.20085	6.8
71.01379	15.8
71.30954	1.3
71.88200	1.5
98.21686	2.8
109.06593	3.4
119.05065	3.2
124.20418	1.4
139.61560	1.3
145.02914	2.1
149.53261	1.6
178.79593	1.3
223.56927	1.4
299.93646	1.5
357.31772	3.0
373.31165	1.5
385.34650	5.2
385.39084	1.4
387.36429	5.4
395.33310	3.1
397.31094	2.4
413.34201	7.4
431.35248	37.8
432.35468	2.2
457.33548	3.0
475.34290	100.0
476.34500	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	475.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.6
61.98838	1.0
64.99355	1.1
66.29301	1.0
71.05007	1.4
87.04510	0.9
100.74681	1.0
111.08143	1.3
112.24035	0.9
161.02425	3.4
170.18640	1.0
178.67738	0.9
373.31207	1.2
375.28610	1.1
430.34256	1.1
431.35355	2.1
457.33023	1.8
475.34299	100.0
476.34619	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	475.3432
Annotation	25-Methyldolichosterone
Peak:m/z	Relative Intensity
59.01385	0.3
70.62078	0.6
81.09377	0.3
85.02957	0.4
103.12599	0.3
103.13396	0.3
111.04575	0.5
183.06599	0.6
197.08231	0.5
334.49689	0.3
383.29651	0.3
385.31314	0.5
397.31351	0.3
413.30679	0.7
415.32086	1.7
429.33820	0.5
475.34296	100.0
476.34637	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	475.3434
Annotation	25-Methyldolichosterone
Peak:m/z	Relative Intensity
69.17294	3.3
71.05020	0.8
83.04521	0.4
91.73443	0.4
95.42201	0.4
98.22552	0.8
104.24559	0.5
109.06620	0.5
111.08175	1.0
127.07600	0.5
203.14363	0.6
203.46523	0.4
325.46091	0.5
395.33179	1.7
413.33990	0.9
457.33112	1.1
475.34311	100.0
476.34576	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	475.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02778	1.1
57.03446	3.6
59.01381	2.9
61.98818	1.5
63.39477	1.0
69.81650	3.2
69.82037	2.3
71.01384	1.4
75.00871	1.3
77.22228	1.1
87.04541	1.2
96.96038	1.4
98.21790	1.2
114.49926	1.1
276.58304	1.2
315.23230	1.9
320.60043	1.1
387.29285	1.4
413.30811	2.1
429.33771	2.9
431.27997	4.6
475.27679	14.1
475.34808	100.0
476.28036	2.0
476.34595	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	475.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21804	0.5
57.03416	2.0
59.01352	2.3
60.99281	1.2
63.28589	0.6
69.03432	0.7
69.17580	2.8
69.17996	1.8
69.71570	0.8
71.01391	3.0
71.04996	1.7
73.02947	0.8
77.22558	0.5
82.16018	0.6
83.04998	0.6
85.02930	1.8
85.06578	0.7
87.04532	0.9
88.09840	0.6
92.25426	0.5
95.01382	1.7
95.05016	2.5
103.04026	1.3
108.02135	0.7
109.02981	0.8
109.06572	1.4
111.04528	4.4
111.08167	11.3
112.64453	0.6
113.02458	0.9
113.06060	0.5
119.05048	0.8
123.08169	4.4
125.02452	1.2
125.06075	1.3
135.08171	4.5
135.16721	0.6
137.02538	0.6
137.09695	1.4
139.11305	12.9
140.11646	0.7
151.03999	0.9
151.07710	0.9
153.01909	1.9
155.07166	1.0
159.89847	0.6
165.05437	0.6
165.09225	15.4
167.63100	0.7
170.44261	0.6
177.56711	0.6
179.07144	1.6
181.05078	1.2
181.08711	8.3
182.02238	0.6
183.06856	4.0
183.10272	88.9
184.10677	3.2
193.08769	0.9
195.06662	1.8
197.08298	0.8
207.06625	1.2
209.08208	3.5
211.06088	0.6
211.09763	1.3
221.08215	2.8
225.07700	3.9
235.06131	1.5
239.05600	1.9
239.09332	3.2
249.07750	2.8
259.17029	1.7
263.09161	0.7
265.07263	1.5
275.20163	57.5
276.20541	4.1
291.23306	31.6
292.23706	1.4
293.14001	0.8
321.05322	0.7
357.28168	0.7
371.15125	1.4
411.32672	0.7
413.34470	0.9
424.44836	0.6
429.34100	0.7
431.20621	1.1
431.35901	0.9
457.15555	0.7
457.33060	2.6
475.34384	100.0
476.34753	11.6
478.66711	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73378	1.8
53.77095	1.5
59.01380	2.8
71.30070	1.6
74.26083	1.3
128.08299	2.0
161.02452	3.1
174.67584	1.7
179.70439	1.7
194.25468	1.6
222.57100	1.7
283.06265	1.9
310.61072	2.2
387.32593	2.6
413.30280	4.1
431.31503	3.8
446.30368	7.0
457.33713	8.3
475.34561	100.0
476.35074	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	476.214
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.8
57.38054	1.1
58.02990	1.3
59.01382	78.7
65.00328	2.4
71.01385	14.3
71.53633	1.1
73.02937	4.0
74.75783	1.2
83.01373	1.6
85.02959	5.9
87.00879	1.3
89.02458	2.2
98.22530	3.4
101.02496	5.8
106.31266	1.3
107.01402	2.0
109.02971	2.6
113.02481	6.5
121.02957	2.8
125.02480	2.9
133.88763	1.2
134.03773	1.9
139.10233	2.2
139.11301	34.7
139.12338	2.6
151.00414	9.0
161.04521	7.3
163.11282	2.8
164.57718	1.3
166.47173	1.2
168.00624	1.2
178.99843	2.5
179.05600	1.5
181.12363	14.0
183.10274	55.7
184.10725	1.5
225.11354	7.1
243.12439	4.7
255.02940	2.4
271.02518	4.0
283.54800	1.3
299.01974	3.8
300.02719	2.1
301.03543	31.2
314.04333	1.8
315.05148	1.6
315.08652	2.4
458.20563	9.0
476.21417	100.0
477.10489	5.3
477.21533	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	476.2782
Annotation	LysoPE(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
50.85713	0.9
50.85955	1.0
56.44770	1.0
68.34361	1.1
71.28227	1.8
75.56246	1.1
78.82206	1.0
78.95913	100.0
96.96977	7.7
128.23434	1.0
140.01256	1.5
152.99602	16.2
171.00656	19.2
182.09125	1.0
183.06689	1.5
225.07704	5.2
226.08080	3.4
232.57748	1.2
239.09198	1.6
240.09631	2.5
279.23532	3.8
396.34479	1.0
402.24231	1.5
454.51477	1.0
475.38400	2.4
476.28113	54.1
476.39453	21.6
477.27985	5.7
477.38922	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54680	0.4
55.86865	0.4
58.81827	0.3
59.01368	0.9
62.96399	0.6
70.03472	0.3
78.95909	48.1
80.46719	0.3
95.75417	0.4
96.96972	1.7
111.08136	0.4
120.18152	0.3
122.00163	1.2
140.01202	7.0
152.99596	6.1
153.99928	0.4
156.29648	0.4
166.21547	0.3
171.00633	4.1
196.03804	10.4
214.04790	1.9
225.07709	1.2
226.07993	0.5
239.09305	1.4
240.09636	1.2
261.22095	0.5
279.23306	100.0
280.23642	7.3
285.67142	0.4
414.34943	0.5
432.83646	0.4
476.27841	30.2
476.34546	3.0
477.28247	3.6
477.35577	0.8
489.35895	0.4
504.79349	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2786
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
59.01367	0.6
69.09611	1.9
78.95908	7.7
111.43644	0.2
114.79231	0.2
140.01231	1.8
142.21149	0.3
152.99585	0.8
171.00630	0.4
193.15874	0.3
196.03831	1.2
197.89954	0.2
214.04852	2.9
223.55573	0.2
261.22128	0.4
279.23300	100.0
280.23642	7.5
280.26102	0.1
347.80423	0.2
438.32672	0.3
474.61862	0.2
475.34363	0.6
476.27805	6.5
476.34662	6.2
477.27557	0.4
477.34830	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.068
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03470	0.5
59.01385	5.1
61.98851	0.5
63.02419	2.3
65.00333	3.5
66.34859	0.5
69.72410	2.3
69.89165	0.4
71.01389	5.7
73.02943	1.4
75.00862	0.5
83.01398	3.8
84.60905	0.5
85.02967	4.1
87.00903	0.8
89.02443	1.4
89.37186	0.5
93.03458	2.1
95.01380	1.3
99.00935	0.9
101.02460	2.4
103.04079	0.5
107.01399	9.4
108.02180	3.0
109.02964	6.2
113.02458	3.0
113.76686	0.5
117.03495	0.6
119.01349	0.9
121.02972	7.2
123.04532	0.5
125.02470	1.2
133.02960	2.0
135.04500	0.6
137.02515	0.4
139.04053	0.8
149.02452	1.7
151.00378	32.3
152.01167	3.5
153.01979	1.5
159.04546	1.5
161.02475	4.2
161.04562	1.3
163.00392	4.5
169.01462	2.0
173.06128	0.7
175.02545	1.1
175.04054	0.8
178.99869	13.7
179.03416	0.6
183.04546	0.9
187.04059	1.0
190.99776	0.6
193.01387	0.8
195.06647	1.0
199.03964	0.6
201.05528	1.1
203.03465	0.6
211.04048	2.8
214.02692	0.6
227.03557	2.5
229.05055	1.8
239.03319	0.8
243.02901	0.6
245.04515	3.6
255.03000	3.9
256.03757	0.8
270.99091	1.0
271.02560	1.3
273.03992	2.5
283.02478	1.9
298.98282	1.5
299.99091	3.4
300.02350	0.9
301.03552	100.0
302.03864	5.2
314.00659	1.4
315.01624	2.5
315.07257	1.7
323.07651	0.6
331.17599	1.0
477.05878	12.3
477.23730	1.7
478.07162	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45518	0.3
59.01362	1.4
63.02394	2.8
65.00324	4.4
65.63898	0.2
67.01869	0.3
68.99781	0.3
69.04869	2.3
71.01379	3.2
75.00862	0.4
75.62384	0.3
78.40297	0.2
78.93719	0.3
83.01382	3.2
85.02971	1.4
86.82449	0.3
87.00864	0.6
91.01880	0.5
91.75192	0.3
93.03440	1.5
95.01379	0.9
98.21680	0.6
103.00336	0.3
107.01402	8.5
109.02947	4.8
113.02467	1.3
115.00385	0.4
119.01388	0.9
119.02268	0.3
121.02962	7.1
125.02425	0.3
128.94704	0.3
135.00925	0.7
139.04021	0.7
149.02458	1.3
151.00374	27.5
152.00694	1.2
159.04488	1.1
161.02426	0.5
161.06001	0.3
163.00374	4.1
163.03995	0.5
164.01097	0.6
167.04982	0.3
169.01410	0.8
171.04547	0.5
173.06017	0.5
175.02480	1.1
175.03888	0.5
178.99869	11.4
180.00294	0.3
183.04527	0.8
185.06035	0.8
187.03937	0.8
190.99864	0.3
193.01357	0.5
199.03972	0.3
201.05588	1.1
203.03531	0.6
211.04030	2.1
212.04640	0.5
213.01912	0.3
217.04893	0.4
227.03456	1.8
228.04236	0.4
229.04968	1.3
239.03520	0.6
243.02884	0.7
245.04544	3.4
255.02979	4.9
256.03583	0.8
257.04492	0.6
266.02213	0.4
271.02502	1.1
272.03159	0.3
273.04050	1.7
282.22098	0.3
283.02618	1.9
300.02621	0.4
301.03543	100.0
302.03888	8.2
355.51398	0.3
382.41190	0.4
477.06784	10.2
478.07202	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.0676
Annotation	Quercetin 4'-glucuronide
Peak:m/z	Relative Intensity
52.28557	0.7
59.01364	1.3
61.98834	0.9
68.92709	0.7
69.40755	1.3
69.41165	2.7
71.01363	2.0
71.03768	0.7
76.53463	0.6
85.02952	0.9
93.03480	0.7
93.14336	0.9
98.21684	0.7
101.02416	0.7
108.02187	0.9
111.00900	0.9
119.04999	1.4
123.00873	1.4
123.04518	0.7
125.02454	1.7
136.01711	0.7
137.02428	1.7
138.38422	0.6
149.06033	1.0
151.00360	0.8
151.03902	0.7
163.03943	0.8
165.05550	0.8
168.16928	0.6
169.01425	1.6
191.03346	0.8
200.00993	0.8
201.05615	1.3
211.04039	1.0
214.99803	0.9
227.03439	0.8
229.04939	1.0
239.03433	0.9
242.02148	1.0
242.99400	3.7
255.03000	1.6
258.01755	3.3
270.98846	43.0
271.99237	2.4
281.06717	1.1
283.02396	1.5
283.99713	5.8
285.00409	11.6
286.01147	7.1
297.00275	0.8
298.98328	62.5
299.98993	6.4
301.00043	2.2
301.03510	18.9
302.03775	1.3
312.99921	20.9
314.00696	62.1
315.01205	4.1
315.08707	1.7
315.12360	1.1
445.03900	0.8
477.06729	100.0
478.06934	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	477.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.3
63.02392	1.5
65.00320	2.5
69.30916	2.8
71.01387	2.7
83.01375	2.3
85.02939	1.4
93.03453	0.8
95.01424	0.4
98.21751	0.4
99.00906	0.9
103.00401	0.6
107.01396	6.2
108.02143	0.4
109.02979	3.4
113.02477	2.2
119.01443	0.6
121.02952	5.7
149.02458	1.2
149.88539	0.5
151.00375	24.0
152.00803	0.6
159.04492	0.6
163.00345	3.9
164.01131	0.5
169.01328	0.6
171.29778	0.5
175.02481	1.3
178.99869	10.6
199.04045	0.7
201.05528	0.7
211.04047	1.9
227.03464	1.3
229.05104	1.6
239.03403	0.8
245.04520	2.3
255.02968	3.8
257.04379	0.6
273.04019	1.9
283.02509	1.8
301.03546	100.0
302.03839	6.4
477.06796	10.3
478.07086	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.0677
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	1.7
62.43826	0.6
68.42910	0.7
73.11462	0.6
87.23630	0.7
89.02496	0.7
93.31834	0.7
96.76924	0.6
149.04503	0.7
153.24161	0.7
200.01077	0.9
242.99365	1.7
244.00005	0.9
270.98862	22.3
271.99207	1.4
298.98349	23.1
299.99118	100.0
300.99643	6.6
312.99915	1.2
314.00696	18.2
315.01483	94.2
316.01773	6.7
477.06747	76.4
478.07129	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	477.0681
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	4.2
63.96226	3.1
67.01884	4.1
69.03442	3.2
69.11549	6.7
69.11951	3.3
71.01358	2.9
72.99293	2.1
74.99073	2.1
79.01893	5.7
81.03436	2.8
83.05003	2.7
93.03458	29.0
95.01388	11.1
96.96003	1.8
97.02956	1.9
101.02489	2.5
107.01377	5.2
109.02946	1.9
111.00860	4.2
111.04527	14.1
117.97324	17.6
123.00890	68.9
123.04510	1.7
124.01730	3.1
125.02457	80.7
125.40676	1.4
132.44052	1.5
135.04480	1.5
137.02457	22.3
139.00385	18.9
140.01126	4.9
141.01930	5.6
151.00352	1.5
153.01981	3.7
154.02660	1.9
155.03514	15.6
166.99867	95.9
167.03505	2.9
167.07100	2.9
168.00641	23.4
169.01437	100.0
170.01732	4.0
173.06061	1.7
177.01967	1.6
195.06490	1.8
201.05583	13.7
201.24634	1.4
219.06636	2.9
245.04570	3.4
249.04118	1.7
263.05585	4.2
289.03555	11.4
298.03680	3.4
300.99850	2.2
307.04654	15.5
325.05646	17.2
477.06656	62.5
477.13632	3.4
478.07275	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	477.0696
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	24.9
60.01734	1.3
61.01797	1.2
67.01871	1.3
69.03458	3.0
70.52808	1.1
71.01384	6.3
71.28362	1.1
79.01875	1.4
79.95737	4.0
81.03481	1.5
83.01395	1.9
85.02942	1.9
89.02448	3.6
93.03462	42.3
95.01392	2.1
96.01672	1.0
97.02958	2.5
101.02457	2.3
103.85799	1.1
107.01414	4.8
109.02955	2.0
111.00884	4.4
111.04534	2.1
113.02415	1.8
113.06156	1.0
119.05045	1.2
121.02954	1.8
123.00898	13.5
124.01701	7.8
125.02455	83.0
125.41618	1.0
126.02789	3.2
126.29060	1.0
137.02454	100.0
138.02789	3.6
139.00394	5.7
139.04016	2.4
140.01190	2.4
149.02498	2.4
151.00343	9.7
151.04030	2.1
152.00739	1.5
157.06691	1.2
161.02452	1.0
161.04547	2.3
163.04073	1.5
165.01973	1.2
165.77980	1.2
166.06378	8.2
166.99947	2.5
168.00629	12.2
169.01442	96.2
170.01743	3.8
171.02013	2.1
173.06108	1.5
177.01979	1.3
181.08723	9.9
193.01442	2.4
196.61630	1.1
198.00763	2.5
201.05592	6.4
203.03500	1.3
211.02486	5.1
212.02879	5.0
213.02953	5.1
219.06595	5.9
230.99763	1.7
237.98674	4.0
238.48764	2.4
245.04631	2.1
263.05621	35.8
264.05951	1.9
271.04581	6.7
272.04858	6.7
273.05093	10.9
285.00174	1.6
289.03552	54.4
290.03946	3.4
300.99921	2.0
307.04584	13.4
308.05292	3.7
315.01587	1.8
324.13889	1.8
325.14105	1.9
331.01035	1.7
331.06918	1.0
333.06964	1.3
397.02423	4.9
417.13019	4.1
476.15076	1.6
477.06769	39.8
477.15103	29.2
478.06952	3.1
478.14471	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.0696
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	24.9
60.01734	1.3
61.01797	1.2
67.01871	1.3
69.03458	3.0
70.52808	1.1
71.01384	6.3
71.28362	1.1
79.01875	1.4
79.95737	4.0
81.03481	1.5
83.01395	1.9
85.02942	1.9
89.02448	3.6
93.03462	42.3
95.01392	2.1
96.01672	1.0
97.02958	2.5
101.02457	2.3
103.85799	1.1
107.01414	4.8
109.02955	2.0
111.00884	4.4
111.04534	2.1
113.02415	1.8
113.06156	1.0
119.05045	1.2
121.02954	1.8
123.00898	13.5
124.01701	7.8
125.02455	83.0
125.41618	1.0
126.02789	3.2
126.29060	1.0
137.02454	100.0
138.02789	3.6
139.00394	5.7
139.04016	2.4
140.01190	2.4
149.02498	2.4
151.00343	9.7
151.04030	2.1
152.00739	1.5
157.06691	1.2
161.02452	1.0
161.04547	2.3
163.04073	1.5
165.01973	1.2
165.77980	1.2
166.06378	8.2
166.99947	2.5
168.00629	12.2
169.01442	96.2
170.01743	3.8
171.02013	2.1
173.06108	1.5
177.01979	1.3
181.08723	9.9
193.01442	2.4
196.61630	1.1
198.00763	2.5
201.05592	6.4
203.03500	1.3
211.02486	5.1
212.02879	5.0
213.02953	5.1
219.06595	5.9
230.99763	1.7
237.98674	4.0
238.48764	2.4
245.04631	2.1
263.05621	35.8
264.05951	1.9
271.04581	6.7
272.04858	6.7
273.05093	10.9
285.00174	1.6
289.03552	54.4
290.03946	3.4
300.99921	2.0
307.04584	13.4
308.05292	3.7
315.01587	1.8
324.13889	1.8
325.14105	1.9
331.01035	1.7
331.06918	1.0
333.06964	1.3
397.02423	4.9
417.13019	4.1
476.15076	1.6
477.06769	39.8
477.15103	29.2
478.06952	3.1
478.14471	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.0678
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.6
58.00589	0.8
59.01379	21.5
60.24507	0.5
63.02385	2.4
63.69445	0.5
65.00330	3.8
69.03455	0.9
69.76019	2.5
71.01388	19.3
71.04987	0.6
72.99290	0.8
73.02948	3.5
75.00851	0.7
80.70516	0.5
83.01385	4.6
85.02955	7.1
87.00878	1.1
89.02448	7.8
90.65771	0.5
93.03464	1.7
95.01397	1.8
99.00883	1.7
99.04524	1.9
101.02441	6.8
101.06088	0.9
103.00347	0.6
107.01393	7.8
109.02972	4.6
113.02455	9.9
119.03489	2.5
119.05019	0.6
121.02969	9.2
123.04496	0.8
125.02470	2.4
127.07646	1.6
129.01944	0.6
133.02971	0.8
135.00851	0.8
137.02434	1.1
137.06085	0.7
138.71544	0.6
139.03995	1.2
143.03447	1.2
149.02472	1.4
151.00372	34.9
153.05666	0.6
155.07219	1.0
159.02991	1.1
159.04459	0.9
161.02449	1.6
161.04561	10.0
163.00356	4.3
163.04024	0.7
164.01147	1.0
169.01404	2.1
175.02473	1.1
175.03949	0.8
178.99855	14.1
179.03436	0.8
179.05591	1.1
183.04510	1.2
183.10281	2.4
187.04027	0.9
197.11845	1.7
199.03902	0.9
201.05618	1.0
211.04016	1.6
213.02058	0.6
224.77341	0.6
225.11372	3.2
227.03511	2.4
229.05002	1.9
239.03410	0.8
243.02992	1.1
245.04538	4.4
255.03021	5.5
256.03577	1.1
256.07327	0.9
257.04642	1.2
271.02371	0.8
271.09756	0.7
273.04022	3.1
283.02472	2.2
298.98431	0.7
299.01648	0.7
299.99277	1.2
300.02762	3.0
301.03543	100.0
302.03815	7.4
315.01379	1.5
315.05069	3.2
315.08759	6.8
333.15530	2.1
407.50604	0.6
417.21179	1.0
477.06281	10.7
477.13519	0.8
477.19583	4.9
478.06815	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	6.1
61.98844	1.1
67.01890	1.2
68.99837	1.3
71.01382	8.7
71.28339	0.9
73.02946	1.9
75.00867	1.3
79.01933	1.5
83.01391	2.1
85.02956	4.0
87.00896	1.5
88.38547	1.0
89.02447	2.2
93.03441	1.5
95.01415	2.1
97.02950	1.9
99.00906	1.7
101.02447	5.4
107.01410	8.7
111.00917	1.6
113.02465	2.3
119.05042	78.4
120.05353	2.4
121.02958	2.7
123.00882	13.7
123.04501	1.2
124.01689	1.2
125.02457	57.6
126.02831	2.1
127.00304	1.1
135.04575	1.3
137.02412	2.1
139.00383	3.3
139.04016	1.8
140.01164	3.4
140.21906	1.0
141.01985	1.3
150.03235	1.2
151.00388	8.1
151.04083	1.0
153.01996	1.3
161.02477	1.5
161.04584	1.5
163.04028	32.3
168.00653	3.6
169.01451	76.1
170.01747	2.3
180.04300	1.9
195.06572	1.6
203.03464	1.3
211.02448	1.7
218.79437	1.0
227.07237	1.1
229.01401	1.2
242.99388	1.5
258.01419	1.3
270.98917	10.3
271.06146	2.5
275.01743	1.9
281.06653	2.0
283.06177	1.7
283.99667	1.9
285.00314	2.8
286.08569	2.0
298.98428	14.0
299.99026	3.3
300.10107	2.8
300.99994	6.2
301.10864	4.0
313.00192	4.6
313.05682	32.3
313.10980	2.3
314.00674	13.8
314.06244	1.5
315.01028	1.4
322.98062	1.7
331.17688	3.1
433.11380	9.8
459.09207	2.3
462.15439	1.4
477.10980	100.0
477.17578	12.9
477.23541	2.4
478.11368	9.6
478.17764	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.104
Annotation	Rumejaposide C
Peak:m/z	Relative Intensity
55.01884	1.2
59.01387	6.0
66.42204	0.6
69.03445	1.1
71.01390	8.6
72.99329	0.8
73.02948	3.7
79.01905	1.5
81.03467	0.8
82.01701	0.7
83.01382	1.9
85.02953	3.9
89.02453	1.6
93.03447	1.1
95.01385	2.3
97.02966	2.2
98.22646	1.5
99.00903	1.2
100.36345	0.6
101.02447	6.8
101.58176	0.6
102.66620	0.7
103.28948	0.7
107.01408	8.6
109.02935	0.9
111.00921	1.9
113.02464	3.3
117.53070	0.7
119.05039	73.7
120.05362	1.9
123.00900	9.1
123.04552	1.0
124.01670	1.3
125.02458	51.4
126.02808	0.8
127.00440	0.6
136.98846	1.0
139.00357	4.5
139.84203	0.6
140.01154	2.8
141.01897	1.5
151.00400	7.0
151.67122	0.7
153.01909	1.3
159.02916	0.8
161.04575	3.2
163.04025	26.9
164.04449	0.7
165.01942	0.9
168.00647	2.6
169.01436	65.2
170.01776	1.9
187.95235	0.7
204.58855	0.7
211.02515	0.9
241.03580	1.7
270.98859	1.3
287.01892	1.2
298.98450	1.4
313.05688	27.7
314.06036	1.6
331.17682	5.9
366.07288	0.7
433.11505	8.8
459.09488	2.4
477.10464	100.0
477.22610	6.2
478.10782	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	477.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12277	0.8
59.01384	4.7
63.02398	1.8
65.00329	5.3
69.21278	5.9
71.01394	5.8
73.02937	1.4
83.01402	3.4
83.08153	0.9
85.02969	4.0
87.00967	0.8
89.02454	1.0
91.03352	0.9
93.03492	2.3
95.01408	1.5
107.01392	8.9
107.01948	0.8
108.02182	35.4
109.02969	22.5
109.03706	1.4
113.02465	3.2
117.02010	1.0
121.02966	9.2
125.02462	1.8
132.02205	0.9
133.02966	18.5
135.00957	1.1
135.04538	7.4
149.02469	1.2
151.00374	32.5
151.04082	1.4
152.01158	44.4
153.01949	16.3
156.93983	0.8
159.04512	1.1
161.02461	50.5
162.02814	1.4
163.00374	4.7
163.04015	1.0
165.01994	1.1
169.01451	2.0
169.96989	0.9
173.80901	1.0
175.02614	1.0
175.04111	1.2
178.99878	14.6
179.03444	5.0
183.04501	1.1
187.04166	0.8
201.05699	1.4
205.69392	1.0
211.04089	1.9
217.56143	0.9
227.03543	2.3
243.03162	1.3
245.04684	3.0
255.02791	4.3
273.04086	2.4
283.02707	2.9
299.99475	1.1
301.03549	100.0
302.03934	6.7
315.01764	2.0
315.07199	33.1
316.07660	1.1
323.07898	1.3
408.50922	0.9
433.11734	3.3
477.10730	66.3
478.11102	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	477.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.4
60.01690	0.3
63.02384	0.5
65.00301	1.0
71.01369	1.6
73.02955	0.7
78.63490	0.4
79.01884	0.5
79.69424	0.4
83.01361	1.0
85.02946	0.8
93.03464	0.7
93.15244	0.5
98.21825	1.0
99.00844	0.3
101.02436	0.6
107.01372	2.1
108.02161	0.8
109.02954	1.3
113.02460	0.6
118.54315	0.4
119.05091	0.5
121.02937	2.6
124.01614	0.8
125.02480	1.8
133.02879	0.4
135.98418	0.3
136.98914	0.4
137.02367	0.6
139.03952	0.3
139.11217	0.7
145.02942	0.8
147.00902	0.4
148.01659	0.4
149.02460	0.9
149.99509	1.0
151.00365	6.8
153.01979	0.4
155.10811	0.4
158.99948	0.3
163.00371	0.9
164.01138	0.5
165.01921	2.1
168.00677	1.8
171.04489	0.7
175.04037	0.9
177.01921	0.5
178.99887	2.5
181.12387	0.4
183.04549	0.5
183.10233	0.7
184.93257	0.4
187.04012	0.8
193.01399	1.5
199.04008	3.3
201.01901	1.0
203.03471	1.0
211.04070	0.6
214.51169	0.4
215.03549	2.2
216.47244	0.4
225.11382	0.4
226.02750	0.5
227.03513	4.3
229.05032	0.5
240.04378	0.6
242.02142	0.7
243.02968	4.4
255.02943	1.8
257.04675	2.2
269.04510	2.1
270.01913	0.4
271.02493	53.6
272.02939	3.0
283.02463	0.8
285.04037	6.2
299.01981	100.0
300.02588	13.9
301.03549	13.0
301.06256	0.2
302.03796	1.1
313.03467	0.6
314.04343	34.2
315.05038	15.7
316.05585	1.3
357.06107	0.7
449.11191	0.7
477.10443	89.7
478.10760	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	477.104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89013	0.3
59.01400	1.2
65.00323	2.7
65.00603	0.3
69.02443	2.2
71.01437	0.3
72.06355	0.3
76.84909	0.3
76.85275	0.4
82.26482	0.3
98.22681	0.4
110.00152	0.5
111.00905	0.4
115.42094	0.3
124.22906	0.3
130.10750	0.3
133.02957	2.0
134.03758	0.9
135.04506	1.4
136.98814	6.2
137.09804	0.3
139.00426	0.5
149.99620	0.7
155.10814	0.5
161.02481	0.5
163.00359	0.6
163.10249	0.3
164.01161	0.4
164.98312	0.6
165.99081	1.1
167.10930	0.3
173.02415	0.5
174.03279	0.9
175.04094	0.5
177.09314	0.3
181.05077	1.0
181.21809	0.3
185.02386	0.4
186.03358	0.3
188.04738	0.5
190.99976	0.3
199.03989	2.6
199.09854	0.4
200.04834	1.1
201.01968	1.6
202.02739	1.0
211.06163	0.3
213.01927	0.7
216.04335	1.8
227.03494	1.9
228.04283	1.6
230.02209	0.4
243.02924	1.5
244.03787	0.6
254.02121	0.5
255.03018	1.1
256.03726	0.6
271.02496	1.7
272.03174	1.1
291.58850	0.3
296.58395	0.3
298.98590	0.4
299.01981	5.9
300.02762	64.3
301.03091	4.2
314.04355	0.8
315.05112	100.0
316.01987	0.5
316.05453	6.4
326.03534	0.3
477.10419	3.2
477.19736	0.6
478.11273	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64633	0.6
58.93192	0.7
59.01379	2.1
61.98829	0.9
67.18935	0.6
69.00781	3.1
69.01206	2.3
69.03445	1.3
71.01378	2.3
73.02943	1.3
80.74572	0.8
81.03466	0.9
85.02951	1.4
93.03464	1.2
95.01409	1.5
96.96043	0.9
97.02962	1.1
98.21799	1.1
101.02443	1.7
101.07400	0.6
107.01396	2.2
107.05036	2.1
108.02185	100.0
109.02972	36.4
110.03323	0.9
113.02461	1.5
120.99672	11.2
121.02998	1.6
123.00932	0.9
123.04549	2.1
125.02477	3.7
133.02925	0.8
135.00899	13.5
135.04552	1.1
145.03015	1.0
151.04088	0.7
152.01161	57.9
153.01955	34.4
161.04591	2.7
163.03987	1.2
165.05659	0.9
167.03514	39.0
168.03879	0.9
179.03557	4.4
239.03596	1.3
270.98889	1.1
274.69156	0.7
297.06259	2.2
297.97510	0.9
298.97949	0.9
299.98618	1.6
300.02667	1.0
313.00055	1.1
314.00388	2.7
315.00620	3.0
315.05087	1.7
329.08951	0.9
330.02704	1.1
350.34567	0.7
351.43152	0.7
477.10446	61.3
478.10608	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93604	0.7
58.00576	0.9
59.01385	9.8
61.98825	2.3
62.11101	0.8
62.67239	0.6
69.03471	1.3
70.77586	1.5
71.01380	9.7
72.99332	1.1
73.02940	2.7
74.93708	0.6
75.00902	1.0
78.95918	0.8
81.03468	1.3
83.01409	1.0
85.02948	4.9
87.00886	1.4
89.02453	5.4
91.36923	0.9
93.03445	1.1
95.01396	2.5
97.02963	1.8
99.00900	0.9
101.02454	8.6
102.98624	0.8
105.61112	0.7
108.02187	36.7
109.02982	19.5
110.65751	0.7
113.02477	3.6
117.05557	0.9
118.98151	1.0
119.03482	2.0
119.31256	0.7
120.99680	1.2
121.02962	1.5
123.00872	2.6
123.04513	0.7
125.02450	3.9
149.02464	0.7
151.04019	1.8
152.01164	56.4
153.01950	16.5
154.02267	0.9
161.04539	2.3
163.04010	1.7
165.01930	1.6
169.01436	3.1
179.05612	1.4
186.95451	0.7
191.03545	1.0
207.03017	1.3
208.01913	0.7
224.99472	0.7
240.96730	0.8
256.75006	0.7
265.51767	0.9
300.99918	1.5
325.05731	2.1
326.06662	0.8
417.09470	2.8
446.71576	0.9
477.12512	100.0
478.12683	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	477.1402
Annotation	Nyasicoside
Peak:m/z	Relative Intensity
55.01860	1.2
57.03421	0.7
58.00595	0.6
59.01102	1.6
59.01380	26.6
59.66106	0.7
60.69401	0.6
63.02370	1.2
63.45612	0.7
65.00322	1.3
71.01034	1.0
71.01385	13.0
72.99299	2.0
73.02930	2.8
75.00904	0.8
79.70883	0.7
83.01395	2.6
85.02952	5.8
87.00867	1.5
89.02443	7.3
91.01908	0.7
93.03452	2.6
95.01384	2.1
96.18707	0.8
98.22636	1.4
101.02450	5.7
107.01392	3.4
108.02193	9.5
109.02962	12.7
113.02432	4.3
117.03479	5.3
119.01382	1.7
119.03508	1.7
119.04981	1.3
121.02948	7.3
122.03659	0.8
123.00909	1.7
123.04519	0.7
124.01679	3.9
125.02450	8.7
133.02928	1.5
134.03725	9.7
135.04555	5.0
137.02457	4.5
139.00337	1.7
145.01889	1.3
145.02960	17.0
147.00870	1.6
147.04546	1.3
148.01634	1.3
148.05310	1.3
149.02483	4.2
149.06071	2.8
149.99574	5.4
151.00380	10.2
151.03998	1.2
152.01089	1.4
153.01909	1.1
155.10776	1.3
159.04483	0.7
161.02383	1.3
161.04575	0.8
163.00316	1.4
163.04013	2.6
164.04776	2.1
165.01878	2.4
167.03494	0.9
168.00653	12.0
169.01303	1.5
175.00381	8.2
176.01076	2.3
178.99884	4.1
185.06114	1.1
187.03859	0.8
188.04816	0.8
190.02724	25.5
191.03511	5.6
192.04213	0.7
193.01315	0.9
195.06569	2.5
197.05966	1.0
199.03951	2.9
199.09734	0.9
205.05072	26.8
205.07025	1.4
206.05460	1.1
209.04312	0.9
209.06171	1.5
211.03941	2.6
211.07585	1.1
212.04671	1.1
213.05553	1.9
215.03397	1.4
223.05995	3.4
225.05647	1.3
226.06294	1.5
227.03467	2.9
227.07137	1.3
229.04953	1.0
229.53174	1.0
237.05582	3.4
238.06355	3.0
239.03415	2.4
239.07196	4.6
240.04208	1.5
240.07635	0.7
241.05125	4.0
243.03001	2.8
245.04507	1.9
249.28656	0.7
253.05038	2.9
254.05884	7.4
255.03059	1.6
255.06616	14.4
256.07385	17.6
257.04474	0.7
257.07724	1.2
265.05038	1.1
267.02988	2.2
269.04633	0.9
270.08832	2.7
271.02490	29.7
271.09769	18.9
272.02859	1.7
272.10037	1.6
273.07684	1.3
281.06763	1.1
284.06827	0.8
285.04022	2.9
297.07718	3.5
299.01990	51.6
299.05368	1.8
300.02597	11.6
300.06326	8.5
301.03558	31.5
302.03909	2.3
307.08301	1.9
314.04407	15.0
314.07813	1.3
315.05072	12.6
315.08710	100.0
316.05548	1.2
316.09036	7.2
331.06897	4.1
342.07428	1.1
353.08817	1.3
357.09796	17.4
358.10205	1.0
367.10373	5.9
417.11957	7.5
477.09717	30.8
477.14026	57.4
478.10172	3.8
478.14456	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	477.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09681	0.5
54.68825	0.5
57.03448	0.8
59.01385	5.4
61.98838	3.2
62.51399	0.5
62.84981	0.5
64.30968	0.4
65.00320	0.5
66.42395	0.6
67.01884	1.3
69.03467	0.9
70.56494	1.3
71.01386	4.8
72.50874	0.5
72.99319	0.8
73.02944	0.8
75.00901	0.4
79.01905	1.6
83.01383	1.7
85.02956	2.3
87.00887	0.8
93.03454	0.6
95.01402	2.1
97.02957	1.4
99.00854	0.6
101.02464	2.6
107.01392	12.0
108.12734	0.7
109.02978	0.8
110.00098	0.6
111.00887	2.4
113.02466	2.5
121.02983	0.7
123.00901	13.6
123.04507	0.8
124.01674	1.8
125.02457	60.2
126.02782	1.2
127.00348	1.6
135.04553	0.9
136.98819	1.9
137.02435	1.7
139.00377	7.0
139.04031	1.0
140.01196	4.9
141.01958	2.5
148.05316	29.3
149.06009	2.0
150.26741	0.5
151.00391	10.1
151.04015	0.7
153.01961	1.1
163.07643	8.8
164.07874	0.5
165.05588	1.2
166.91685	0.5
167.03473	1.1
168.00659	3.9
169.01436	64.0
170.01762	1.6
177.01756	0.5
178.18761	0.5
179.03516	0.6
181.04832	0.6
183.02975	1.7
207.02908	0.5
211.02531	1.9
270.99002	1.0
297.06186	0.9
298.98486	0.9
299.99512	0.9
300.02820	1.3
313.05679	22.7
314.00464	0.7
314.06021	1.5
315.01974	0.6
315.05139	2.3
317.83258	0.5
327.07214	1.8
366.41232	0.5
477.14023	100.0
478.14331	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	477.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09681	0.5
54.68825	0.5
57.03448	0.8
59.01385	5.4
61.98838	3.2
62.51399	0.5
62.84981	0.5
64.30968	0.4
65.00320	0.5
66.42395	0.6
67.01884	1.3
69.03467	0.9
70.56494	1.3
71.01386	4.8
72.50874	0.5
72.99319	0.8
73.02944	0.8
75.00901	0.4
79.01905	1.6
83.01383	1.7
85.02956	2.3
87.00887	0.8
93.03454	0.6
95.01402	2.1
97.02957	1.4
99.00854	0.6
101.02464	2.6
107.01392	12.0
108.12734	0.7
109.02978	0.8
110.00098	0.6
111.00887	2.4
113.02466	2.5
121.02983	0.7
123.00901	13.6
123.04507	0.8
124.01674	1.8
125.02457	60.2
126.02782	1.2
127.00348	1.6
135.04553	0.9
136.98819	1.9
137.02435	1.7
139.00377	7.0
139.04031	1.0
140.01196	4.9
141.01958	2.5
148.05316	29.3
149.06009	2.0
150.26741	0.5
151.00391	10.1
151.04015	0.7
153.01961	1.1
163.07643	8.8
164.07874	0.5
165.05588	1.2
166.91685	0.5
167.03473	1.1
168.00659	3.9
169.01436	64.0
170.01762	1.6
177.01756	0.5
178.18761	0.5
179.03516	0.6
181.04832	0.6
183.02975	1.7
207.02908	0.5
211.02531	1.9
270.99002	1.0
297.06186	0.9
298.98486	0.9
299.99512	0.9
300.02820	1.3
313.05679	22.7
314.00464	0.7
314.06021	1.5
315.01974	0.6
315.05139	2.3
317.83258	0.5
327.07214	1.8
366.41232	0.5
477.14023	100.0
478.14331	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	477.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.8
58.00586	0.4
59.01382	15.7
61.98837	2.0
63.09336	0.3
65.00340	0.5
69.08155	0.8
69.08559	2.9
71.01388	6.7
72.99305	0.7
73.02950	1.4
73.64915	0.3
79.01897	19.1
83.01402	0.7
85.02977	2.2
85.06606	0.5
87.00891	0.7
89.02447	7.4
90.86288	0.4
91.05569	1.7
94.58467	0.3
95.01413	0.6
97.02948	0.5
99.00877	0.5
101.02451	5.1
107.01420	0.9
107.05023	0.5
108.02204	0.6
109.02958	3.6
111.00872	0.4
111.04513	2.7
113.02472	3.1
119.03512	3.3
119.05018	1.1
120.17780	0.3
121.02934	1.7
123.04528	0.4
124.01638	0.6
125.02509	0.4
131.03496	0.7
134.03763	1.2
135.04535	100.0
136.04846	3.6
137.02505	0.6
137.85504	0.4
141.24493	0.4
143.03485	0.8
151.00386	2.6
151.04025	1.0
152.01144	0.4
153.05582	5.0
161.02454	1.5
161.04573	3.1
164.04836	0.5
165.01915	1.5
177.02040	0.4
179.00232	2.5
179.03510	83.7
180.03873	2.8
188.30426	0.3
193.01414	0.8
193.05008	0.9
195.02960	0.7
197.04552	0.7
205.05061	1.3
245.04474	0.5
247.34087	0.4
255.03192	0.4
255.19650	0.7
281.79980	0.4
289.27145	0.4
290.33508	0.4
297.07687	0.5
298.04562	0.4
299.05386	1.5
300.05475	0.7
300.36639	0.4
301.03577	7.2
313.07507	0.7
314.04172	0.4
314.07504	0.5
315.08743	98.9
316.05707	0.7
316.09070	7.1
323.34634	0.4
331.24442	0.5
383.29297	1.0
417.11624	0.4
417.24899	5.0
441.30112	2.1
477.07278	0.8
477.13980	12.3
477.24539	1.3
477.32529	4.9
478.14444	1.4
478.32181	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.8
58.00586	0.4
59.01382	15.7
61.98837	2.0
63.09336	0.3
65.00340	0.5
69.08155	0.8
69.08559	2.9
71.01388	6.7
72.99305	0.7
73.02950	1.4
73.64915	0.3
79.01897	19.1
83.01402	0.7
85.02977	2.2
85.06606	0.5
87.00891	0.7
89.02447	7.4
90.86288	0.4
91.05569	1.7
94.58467	0.3
95.01413	0.6
97.02948	0.5
99.00877	0.5
101.02451	5.1
107.01420	0.9
107.05023	0.5
108.02204	0.6
109.02958	3.6
111.00872	0.4
111.04513	2.7
113.02472	3.1
119.03512	3.3
119.05018	1.1
120.17780	0.3
121.02934	1.7
123.04528	0.4
124.01638	0.6
125.02509	0.4
131.03496	0.7
134.03763	1.2
135.04535	100.0
136.04846	3.6
137.02505	0.6
137.85504	0.4
141.24493	0.4
143.03485	0.8
151.00386	2.6
151.04025	1.0
152.01144	0.4
153.05582	5.0
161.02454	1.5
161.04573	3.1
164.04836	0.5
165.01915	1.5
177.02040	0.4
179.00232	2.5
179.03510	83.7
180.03873	2.8
188.30426	0.3
193.01414	0.8
193.05008	0.9
195.02960	0.7
197.04552	0.7
205.05061	1.3
245.04474	0.5
247.34087	0.4
255.03192	0.4
255.19650	0.7
281.79980	0.4
289.27145	0.4
290.33508	0.4
297.07687	0.5
298.04562	0.4
299.05386	1.5
300.05475	0.7
300.36639	0.4
301.03577	7.2
313.07507	0.7
314.04172	0.4
314.07504	0.5
315.08743	98.9
316.05707	0.7
316.09070	7.1
323.34634	0.4
331.24442	0.5
383.29297	1.0
417.11624	0.4
417.24899	5.0
441.30112	2.1
477.07278	0.8
477.13980	12.3
477.24539	1.3
477.32529	4.9
478.14444	1.4
478.32181	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90971	0.6
51.71383	0.6
57.03447	1.7
58.00600	3.8
58.56614	0.7
59.01384	100.0
60.01721	0.9
60.02966	0.5
61.49088	0.7
61.98854	0.6
63.51218	0.5
69.13633	2.0
69.14054	2.3
71.01388	52.3
71.05038	0.8
72.99306	3.3
73.02962	2.8
83.01415	2.3
85.02955	10.5
87.00872	3.0
89.02452	68.3
90.02753	0.9
95.01387	4.9
99.00900	1.3
101.02452	25.6
106.06583	0.6
107.01433	1.1
108.02240	1.0
109.02997	1.3
113.02458	26.8
119.03516	26.4
121.03027	1.7
123.04515	0.6
125.02483	1.0
131.03569	2.8
137.02478	1.8
139.07735	0.9
139.11330	5.2
143.03511	4.8
149.04610	2.5
151.00394	4.1
161.04546	7.4
163.00420	0.7
163.11459	0.8
178.99895	1.3
179.05603	11.9
179.06938	0.9
180.04408	1.0
181.12421	2.5
183.10277	7.6
183.11568	0.7
195.06613	1.1
202.86407	0.6
203.90361	0.6
211.52393	0.6
225.11412	1.9
227.03587	0.7
239.07262	0.9
243.03242	0.8
251.11510	1.5
252.90764	0.7
255.03163	2.5
263.72812	0.6
267.06760	2.6
271.02490	5.2
282.09134	0.8
297.11197	5.2
299.02164	1.8
300.02780	15.3
301.03543	11.9
302.04248	0.8
315.05096	13.2
315.08728	1.3
315.12466	4.0
316.05460	1.3
357.13474	8.3
369.13504	0.7
459.22836	2.1
477.10562	3.1
477.17856	1.5
477.23566	15.7
477.29449	1.0
478.24139	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	6.8
57.03449	12.7
59.01362	1.3
67.01882	0.9
69.09666	3.0
69.10093	2.7
71.01357	0.8
71.04990	1.1
72.99303	0.8
83.16953	0.8
85.02958	10.4
85.06592	7.7
87.04520	2.1
95.05047	1.7
107.08701	0.8
109.02945	1.5
110.74342	0.8
111.00890	17.8
111.04536	10.1
113.02458	88.5
113.09755	1.0
114.02802	2.1
121.02963	1.0
123.08153	1.8
124.01683	1.4
125.02457	1.6
125.06121	2.7
125.09737	1.2
127.07660	6.2
127.53104	0.7
127.54059	0.7
129.05586	5.3
135.08188	1.4
136.05336	2.0
137.02475	1.7
137.06091	2.0
137.09659	0.8
138.03252	1.0
139.00380	25.1
141.09248	1.4
151.00331	0.9
151.07661	21.7
152.07961	1.0
153.05542	1.3
153.09224	4.9
154.99821	0.8
155.03539	2.3
157.01434	2.9
163.07668	4.0
163.11261	1.4
164.08453	2.9
165.47078	0.8
167.07121	6.5
169.08704	6.8
176.24739	0.7
178.36597	0.7
179.07092	1.1
181.08716	2.4
182.05888	1.8
183.06625	4.6
193.08690	1.1
195.06635	3.2
197.08269	3.4
205.05084	1.5
207.02939	0.7
207.06667	3.5
207.10182	1.7
208.07416	0.8
209.08247	1.7
219.06566	1.1
219.10190	0.8
219.13919	1.3
220.07434	2.3
221.08180	1.0
222.05309	3.2
225.07698	100.0
226.08041	3.9
237.07678	0.9
241.07133	1.6
251.12968	1.3
263.12875	16.6
264.13403	1.9
264.87408	0.6
277.18130	2.8
301.03528	6.5
307.11923	11.8
321.17114	12.7
322.17331	1.3
347.14688	0.9
363.17975	0.9
415.21188	1.4
433.22162	3.4
459.31000	1.0
462.79474	0.7
477.21204	2.5
477.32098	3.9
477.36417	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.213
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	5.8
70.77458	3.8
79.47050	1.7
81.03457	5.5
83.01388	4.1
85.02954	38.0
85.06608	10.2
87.04526	8.7
95.05022	3.7
109.02949	15.5
109.06592	20.8
111.00886	14.8
111.04526	91.9
113.06097	7.7
113.09732	10.2
118.91349	1.8
123.08145	2.1
125.02478	2.5
127.03988	2.2
127.07658	12.3
135.08078	2.0
136.05292	2.6
137.06094	6.8
139.03992	2.0
139.07661	6.5
150.84767	1.8
151.07661	8.3
153.01947	6.6
153.05608	5.2
155.07155	20.9
159.59253	1.8
163.03992	7.4
179.07144	54.9
180.07480	2.2
181.05086	100.0
181.08701	58.7
182.05412	4.6
182.08945	2.5
197.08075	4.8
223.06122	42.2
224.06940	18.7
233.11792	4.6
235.09769	21.5
241.07184	59.6
242.07404	2.6
271.05939	2.0
277.10846	3.9
277.14084	2.7
350.33929	2.0
362.95221	2.1
417.19083	9.2
426.10956	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24992	1.9
57.03447	6.8
59.80408	1.7
61.53230	1.7
67.01904	2.1
68.99806	2.1
69.09316	14.0
74.75181	1.8
81.03459	5.3
83.01381	4.4
85.02956	47.1
85.06593	11.3
87.04516	9.9
87.60677	1.6
109.02979	18.8
109.06602	29.9
111.00906	17.8
111.04531	85.3
112.04881	2.3
113.06095	7.3
113.09735	9.4
123.08150	2.5
127.07678	15.6
133.06625	2.5
136.05272	4.0
137.06082	8.2
139.07680	7.8
145.41690	1.6
151.07686	13.2
153.01930	7.9
153.05554	6.9
155.07112	24.4
161.06088	3.7
163.04025	3.7
164.89990	2.0
165.05542	2.1
178.71439	1.9
179.07141	72.5
180.07471	4.4
181.05078	100.0
181.08684	55.4
182.05397	2.9
182.09131	2.1
195.06694	3.2
197.08191	3.8
223.06134	39.8
224.06946	20.0
231.47678	2.2
233.11697	3.3
235.09680	13.7
241.07191	69.8
242.07520	3.2
249.83380	2.0
277.10815	5.7
295.11700	2.5
329.13895	2.8
335.04709	1.7
365.17249	1.8
385.25650	2.1
399.98648	2.1
417.19312	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	477.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.1
59.01386	7.3
60.28762	1.4
65.00317	1.9
69.40260	6.3
69.40666	3.1
70.33337	1.7
71.01399	2.8
71.05014	2.1
72.99323	1.8
73.02937	4.0
81.03468	2.2
83.01411	1.9
83.05048	1.9
85.02943	6.4
85.06606	5.5
87.00878	4.6
87.04528	3.7
93.03484	2.5
95.01358	1.4
95.05019	2.2
99.04558	1.5
101.02448	3.3
104.06642	1.4
105.81851	1.3
107.01364	2.1
108.02166	2.1
109.02972	4.2
111.04536	6.2
111.08134	2.1
113.02475	3.8
113.06085	3.0
121.02945	3.1
123.00928	1.3
123.04558	1.5
123.08187	2.4
125.02422	2.6
125.06096	2.4
133.02951	5.0
134.11874	1.4
136.01709	2.1
137.02484	1.8
149.06133	1.7
151.00395	8.7
151.04056	1.8
153.05673	1.6
155.07210	4.0
165.09151	1.7
168.14825	1.4
169.01459	2.2
177.02008	2.1
177.05592	6.8
177.09239	1.9
178.99849	3.4
179.07112	9.8
181.08746	10.2
183.06659	9.0
183.30667	1.3
191.07173	1.3
193.08702	1.8
194.00209	1.5
195.06628	51.7
196.07016	2.6
206.05864	16.9
207.06517	3.4
207.13919	7.2
213.07693	29.3
214.08110	2.4
219.10242	2.0
221.08203	13.1
221.11880	4.4
223.06131	2.1
225.07703	2.5
226.08461	2.0
233.08237	2.3
235.09874	3.6
235.13264	1.9
247.13435	2.2
248.10674	2.8
250.12088	3.2
254.05627	1.8
263.09366	3.1
263.12881	4.6
265.14282	2.5
277.18015	3.0
278.11520	5.0
281.08148	2.0
293.13962	5.4
293.17395	2.8
295.15665	1.4
301.03531	31.3
301.06787	2.4
301.17966	2.1
303.15924	2.4
304.90103	1.5
321.17072	100.0
322.17401	6.2
325.07175	2.2
325.10751	1.4
371.29462	5.8
377.22534	2.2
377.26651	7.6
415.21292	25.7
415.27188	2.2
415.29578	1.8
415.31738	1.9
416.21918	2.5
416.33890	1.4
433.17010	2.0
433.22241	3.1
433.28976	3.1
433.32095	4.2
459.09872	1.5
476.31171	5.2
477.06674	3.8
477.15555	11.4
477.30164	20.1
478.28189	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2136
Annotation	Ailanthinone
Peak:m/z	Relative Intensity
55.01859	0.7
57.03429	0.8
61.34952	0.6
62.29724	0.5
63.17973	0.6
79.01906	0.9
85.02940	0.6
85.06575	1.0
87.04522	7.8
95.05039	1.2
98.21783	1.1
101.06087	1.3
107.04986	0.7
109.02944	1.0
111.04531	7.0
113.02442	0.6
113.09720	1.7
119.08702	0.5
123.04533	1.3
123.08165	3.5
125.02465	3.0
125.06068	1.2
127.07660	0.6
135.08180	0.8
136.01653	0.7
137.02409	1.6
139.11276	1.0
149.59167	0.6
151.00372	2.2
151.04030	0.9
151.07613	1.6
153.01968	1.7
154.02699	1.6
163.07664	1.9
164.04765	0.9
165.09212	1.8
169.05035	2.9
177.01906	0.6
177.05580	6.5
177.09267	0.8
177.99780	0.5
178.06294	0.6
179.07147	6.4
180.00748	0.6
180.04211	0.8
181.05035	1.3
182.02220	3.7
192.07933	0.6
193.08690	2.4
195.06635	40.6
196.06929	1.5
197.08141	1.5
203.07234	0.6
205.05046	0.7
205.08600	0.7
207.06651	4.1
209.08199	2.7
211.08702	0.8
217.12341	1.6
219.06599	1.3
219.10191	1.3
219.13893	2.0
221.08185	7.2
223.06120	30.3
224.06906	21.1
225.07687	12.9
233.08257	1.3
233.11864	2.1
234.12627	1.1
235.13374	3.7
245.11740	0.6
248.06966	6.0
249.07652	2.2
259.94821	0.5
261.11368	1.5
263.12878	10.7
264.13361	0.6
275.12897	1.3
276.06442	1.1
277.07120	1.8
291.12485	2.7
301.03513	1.8
319.11841	2.1
363.18094	7.1
433.22330	100.0
434.22665	10.9
459.19843	1.5
477.21097	1.9
477.25769	4.1
492.66760	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.4
57.03437	3.7
58.00584	1.8
59.01381	91.5
66.51284	1.1
69.43549	5.4
71.01384	47.0
71.86813	1.1
72.99311	1.7
73.02950	15.5
75.00875	1.6
81.03455	1.2
83.01409	6.1
85.02957	23.4
85.06586	1.2
87.00895	2.0
89.02451	11.5
90.63395	0.9
93.03458	1.5
95.01379	4.1
99.00893	7.0
100.82479	1.0
101.02450	35.0
105.77924	0.9
108.02187	1.6
109.02951	4.4
113.02456	23.2
114.02786	2.0
119.03515	4.3
125.02447	1.8
135.04497	1.4
135.05417	0.9
137.02481	1.1
139.11308	17.3
143.03499	2.8
151.00348	1.9
152.01120	1.1
153.01955	3.6
153.05577	4.6
159.02962	5.2
161.03255	1.4
161.04568	22.8
162.17398	0.9
163.11252	1.6
165.01970	1.2
165.09285	1.4
179.05627	1.6
180.04233	1.8
181.12376	7.3
183.08646	1.7
183.10271	31.4
184.10580	2.3
225.11378	2.7
243.12384	1.4
251.11371	2.2
271.09824	1.7
287.09204	4.9
289.16797	2.5
299.02567	1.1
299.05643	7.8
300.05972	9.2
301.03421	3.0
301.06271	15.3
315.08679	5.0
315.18192	9.4
318.43674	1.1
417.25003	4.5
435.22485	2.6
459.22394	7.1
460.22961	1.6
477.14102	7.7
477.23413	100.0
478.23932	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	477.2345
Annotation	Glu-Leu-Phe-Ala
Peak:m/z	Relative Intensity
55.01896	0.7
59.01384	100.0
60.01705	0.8
61.98838	0.9
69.52899	3.2
71.01384	8.5
73.02962	4.2
73.03312	0.5
83.01414	0.9
85.02958	3.5
89.02470	1.7
95.01423	0.8
98.21815	0.5
99.00884	1.0
101.02457	6.2
109.02998	0.8
113.02491	2.9
121.02987	1.3
136.01723	0.8
139.04030	1.1
139.11304	9.6
147.03183	0.6
148.05309	1.3
151.00414	2.5
151.04062	1.8
159.03046	0.7
161.04575	4.9
163.03960	0.6
163.07709	1.8
163.11420	0.6
165.01921	0.7
165.09183	0.9
178.02493	0.5
178.99863	1.4
179.07248	1.0
181.12370	4.1
183.10266	11.9
195.47913	0.6
225.11313	2.2
251.11392	1.2
271.02695	0.8
301.03613	7.4
302.03934	0.8
314.79245	0.6
315.05273	1.0
315.08801	5.4
315.12454	3.5
371.26028	0.8
398.33270	0.6
417.12265	0.7
417.24829	4.1
459.22488	4.7
477.23447	40.7
478.23669	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	477.2876
Annotation	2-Dehydro-3-epi-20-hydroxyecdysone
Peak:m/z	Relative Intensity
54.81681	0.5
59.01379	4.4
71.01385	1.8
73.02946	1.2
75.00877	1.1
77.01320	0.6
83.01382	0.8
85.02961	2.1
87.00908	0.6
91.55580	0.6
93.03485	0.7
95.01358	0.6
95.05003	0.8
101.02425	1.1
107.01416	0.9
109.02992	1.0
111.04535	0.6
113.02442	1.9
121.02985	4.7
122.03325	1.2
123.03516	0.8
125.02435	0.7
135.04498	1.1
137.02461	13.6
137.03510	0.7
138.02718	0.6
149.06070	1.4
151.00374	2.3
177.05504	0.8
178.99817	1.2
180.50346	0.6
187.04150	0.6
193.08678	2.2
195.06520	0.7
238.66438	0.6
244.05592	0.6
273.49109	0.6
301.03528	8.5
302.03964	0.8
315.12402	13.7
315.16110	0.9
316.12769	1.2
353.24796	1.0
371.29553	37.5
372.29935	3.4
387.29059	18.3
388.29279	1.6
389.30774	2.8
399.25400	2.1
415.28827	3.0
433.29816	1.8
459.27539	41.6
460.27853	4.5
477.14630	2.6
477.28613	100.0
478.28940	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	477.2864
Annotation	2-Dehydro-3-epi-20-hydroxyecdysone
Peak:m/z	Relative Intensity
54.98005	0.3
59.01373	0.4
68.99224	0.7
68.99622	2.2
73.86501	0.3
117.03477	17.3
118.03839	0.4
119.05032	7.2
120.05370	0.3
121.02982	0.6
121.62085	0.3
125.09728	0.5
127.11300	1.1
145.02966	100.0
146.03320	3.7
157.12341	0.6
163.04025	4.7
171.10287	0.4
257.49072	0.4
313.23682	1.1
329.23270	0.4
331.24921	11.4
332.25189	0.8
376.15259	0.4
459.26791	0.5
477.28488	31.2
477.34390	1.3
478.28754	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	477.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
70.23531	17.4
71.09816	17.5
71.27715	23.9
77.98222	16.6
81.71726	15.7
85.16679	16.8
137.86684	16.2
182.54115	20.6
477.36627	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	478.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.3
57.03461	0.3
59.01395	1.7
61.98835	100.0
68.15755	0.3
69.07479	0.6
69.07887	2.3
71.01385	2.3
72.99326	0.4
73.02954	0.8
83.01411	0.6
85.02973	0.9
87.18307	0.3
89.02482	1.0
98.21804	0.8
101.02474	1.6
108.02175	2.7
109.02972	2.0
111.00920	0.5
113.02499	0.9
119.05042	0.5
120.05273	0.3
122.03757	5.8
123.00923	1.0
123.04533	5.1
124.01733	0.5
125.02473	1.1
129.53479	0.3
137.02454	0.6
139.04059	0.8
140.01176	0.3
147.72354	0.3
151.00391	0.7
152.01208	1.5
153.01933	2.0
161.02512	0.7
163.03969	0.4
164.01248	0.3
164.24707	0.4
165.02003	0.7
165.05518	0.5
167.03506	4.0
167.37152	0.3
169.01501	0.6
172.05263	0.3
175.48563	0.3
178.99968	0.3
180.67827	0.3
183.10307	0.8
190.70921	0.3
193.01437	0.3
193.05055	2.2
281.06763	0.4
289.07361	0.5
298.98816	0.4
299.98941	0.4
311.07724	4.4
316.01920	0.7
317.06824	3.4
317.10553	2.1
359.07346	0.4
435.12964	7.1
435.18195	0.5
479.12274	1.8
479.20670	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	478.294
Annotation	Unknow
Peak:m/z	Relative Intensity
66.41740	0.9
78.95445	1.7
78.95911	33.7
80.07850	0.8
96.96973	1.6
140.01265	5.4
152.99612	4.8
171.00650	2.4
196.03821	9.9
214.04840	2.5
217.56438	1.0
281.24881	100.0
282.25186	7.9
478.29453	33.9
478.36108	2.0
479.29926	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
67.60803	0.4
69.08978	1.0
69.09408	2.2
70.87193	0.4
72.16991	0.4
78.95903	5.8
83.30294	0.4
91.52056	0.5
98.22572	0.9
104.02686	0.4
111.93474	0.4
140.01218	2.2
151.25090	0.5
152.99648	0.7
162.90038	0.4
177.73473	0.4
196.03749	1.1
210.96567	1.1
214.04802	2.2
233.88803	0.6
281.24869	100.0
282.25192	8.2
305.56332	0.5
307.60852	0.4
478.29510	7.3
478.36279	1.0
479.08804	0.6
479.30118	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2961
Annotation	Glycerophospho-N-Oleoyl Ethanolamine
Peak:m/z	Relative Intensity
59.64386	3.4
66.34559	3.9
68.98627	29.5
78.95906	100.0
90.84946	3.8
96.96982	12.3
98.21735	8.1
152.99596	21.0
171.00671	17.9
226.65439	4.6
256.54706	5.0
258.16504	4.0
305.59741	3.7
438.57767	4.3
478.29276	67.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0833
Annotation	SCHEMBL345349
Peak:m/z	Relative Intensity
57.03449	1.5
59.01366	2.4
65.00296	2.8
68.53307	1.0
68.99798	1.3
71.01381	1.8
72.99308	1.5
73.02921	1.1
74.99070	1.7
79.05560	1.1
83.01374	2.2
85.02923	1.9
89.02425	1.9
95.01376	2.8
106.37717	1.0
107.01371	4.7
108.02145	4.6
109.02927	3.2
110.00105	10.0
111.00882	5.7
113.02458	1.4
118.98068	1.0
119.53048	1.0
121.02978	1.6
123.00898	11.3
123.04554	7.9
124.01622	3.8
125.02457	31.4
133.02905	1.2
136.98875	1.6
137.02415	4.0
137.99536	3.5
139.00391	18.4
141.99014	1.1
143.35216	1.0
147.04457	1.5
148.01663	1.3
149.02423	3.8
151.00365	6.7
151.03929	1.7
153.01927	4.5
161.02429	3.0
162.03191	1.8
163.00362	1.7
163.03976	1.7
165.01959	2.0
165.05553	9.9
165.99083	15.2
166.99878	9.1
167.03477	1.4
169.01425	17.0
171.04512	2.1
173.02480	1.6
174.03044	1.2
175.03966	4.7
177.01854	4.5
178.99911	11.3
186.03122	1.5
187.03888	1.4
189.05452	1.3
191.03503	1.2
192.08069	1.2
194.99278	4.5
198.03166	3.2
199.03979	6.3
201.01927	3.3
215.03502	2.5
215.10429	1.2
216.00604	1.7
216.04111	1.2
217.01396	2.1
217.04997	2.0
226.02562	1.2
227.03410	3.8
231.02934	2.0
241.05077	1.6
242.02251	7.3
243.03009	10.0
244.03772	2.2
255.02975	1.7
258.01547	2.2
259.02383	6.7
259.05698	1.9
260.03119	1.6
270.01682	10.8
271.02493	46.5
272.02783	3.5
272.06973	2.7
285.04065	20.2
286.01141	2.5
287.02005	54.4
287.05188	2.9
287.09210	10.8
288.02344	5.2
299.01599	1.4
303.01596	2.4
303.05057	14.9
313.05673	8.3
316.02240	65.9
316.99741	1.6
317.02994	31.6
317.06851	1.7
317.10236	14.2
318.03073	1.4
332.01746	19.0
333.02313	5.3
359.03745	2.1
407.05527	1.1
479.08075	100.0
480.08206	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	479.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65914	5.9
57.03431	9.7
58.69145	7.1
59.01376	22.6
63.95163	6.3
66.78670	7.7
68.29755	6.2
70.02245	21.0
71.01388	21.3
87.00874	45.5
101.02439	7.7
112.46424	7.7
115.00365	57.6
120.99674	19.1
125.02474	77.0
137.02493	23.6
154.19270	6.7
165.01918	17.6
175.02477	100.0
177.01941	51.0
217.01439	17.1
301.00043	15.0
303.04968	8.0
305.06641	17.9
343.04419	12.4
479.14178	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	479.0831
Annotation	SCHEMBL1707783
Peak:m/z	Relative Intensity
59.01371	1.1
61.98826	1.0
64.39581	0.6
65.00335	0.8
67.01890	0.8
69.22121	3.5
71.01379	1.7
71.05029	1.7
71.46735	0.5
79.01904	0.6
81.03493	0.7
85.02946	1.6
93.03462	2.0
95.01391	2.3
95.69154	0.5
96.96013	2.3
97.02950	0.7
101.02475	0.6
105.67213	0.5
107.01374	1.3
108.02187	10.7
109.02973	7.0
110.00101	1.8
111.00882	5.8
121.02962	3.7
123.00876	3.3
123.04540	3.3
124.01642	0.8
125.02472	4.2
125.61533	0.5
135.98328	0.6
136.98903	1.8
137.02478	4.6
138.03189	0.7
139.00386	16.3
139.04013	8.7
149.02438	2.7
151.00395	3.4
151.03992	2.9
152.01158	9.3
153.01967	5.2
153.05617	0.7
161.02484	1.1
163.00325	0.9
164.98325	1.6
165.01938	2.2
165.05573	0.6
165.99113	3.8
166.02672	1.5
166.99872	12.1
167.03502	2.5
169.01424	2.4
175.04027	1.7
176.78571	0.7
177.01921	3.0
178.99899	2.2
179.07106	0.8
181.08740	0.6
183.04543	0.8
187.04036	1.1
193.01379	1.9
193.98518	0.7
194.99382	6.6
199.04013	3.8
201.01958	0.7
203.03554	1.6
208.00038	1.0
214.02873	0.7
217.05106	1.3
218.23129	0.6
227.03477	2.1
231.02992	1.1
243.03046	2.8
245.02275	0.6
245.04475	2.9
255.02946	1.6
255.06761	0.8
271.02396	4.3
272.19928	0.6
273.04260	1.0
296.63797	0.6
299.01990	3.9
299.05679	5.7
311.09399	1.0
316.02261	5.1
317.03067	100.0
317.06537	7.1
317.19717	1.4
318.03391	8.0
318.06866	1.2
326.11746	0.8
327.56128	0.9
340.05618	0.5
341.13953	1.3
354.03061	0.5
479.08481	4.3
479.16068	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	479.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.1
61.98826	1.0
64.39581	0.6
65.00335	0.8
67.01890	0.8
69.22121	3.5
71.01379	1.7
71.05029	1.7
71.46735	0.5
79.01904	0.6
81.03493	0.7
85.02946	1.6
93.03462	2.0
95.01391	2.3
95.69154	0.5
96.96013	2.3
97.02950	0.7
101.02475	0.6
105.67213	0.5
107.01374	1.3
108.02187	10.7
109.02973	7.0
110.00101	1.8
111.00882	5.8
121.02962	3.7
123.00876	3.3
123.04540	3.3
124.01642	0.8
125.02472	4.2
125.61533	0.5
135.98328	0.6
136.98903	1.8
137.02478	4.6
138.03189	0.7
139.00386	16.3
139.04013	8.7
149.02438	2.7
151.00395	3.4
151.03992	2.9
152.01158	9.3
153.01967	5.2
153.05617	0.7
161.02484	1.1
163.00325	0.9
164.98325	1.6
165.01938	2.2
165.05573	0.6
165.99113	3.8
166.02672	1.5
166.99872	12.1
167.03502	2.5
169.01424	2.4
175.04027	1.7
176.78571	0.7
177.01921	3.0
178.99899	2.2
179.07106	0.8
181.08740	0.6
183.04543	0.8
187.04036	1.1
193.01379	1.9
193.98518	0.7
194.99382	6.6
199.04013	3.8
201.01958	0.7
203.03554	1.6
208.00038	1.0
214.02873	0.7
217.05106	1.3
218.23129	0.6
227.03477	2.1
231.02992	1.1
243.03046	2.8
245.02275	0.6
245.04475	2.9
255.02946	1.6
255.06761	0.8
271.02396	4.3
272.19928	0.6
273.04260	1.0
296.63797	0.6
299.01990	3.9
299.05679	5.7
311.09399	1.0
316.02261	5.1
317.03067	100.0
317.06537	7.1
317.19717	1.4
318.03391	8.0
318.06866	1.2
326.11746	0.8
327.56128	0.9
340.05618	0.5
341.13953	1.3
354.03061	0.5
479.08481	4.3
479.16068	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	479.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17529	0.7
59.01381	2.0
60.01997	0.7
64.65366	0.7
65.00297	0.9
69.02699	6.1
71.01378	1.0
73.02979	0.8
81.03480	1.1
83.01404	1.4
85.02959	1.4
91.01887	0.7
93.03469	8.6
98.22537	1.6
107.01419	2.6
107.05042	0.8
108.02186	100.0
109.02983	34.7
110.03294	1.5
113.02473	1.1
121.02978	1.7
123.00932	2.3
123.04527	4.4
125.02477	2.8
133.03012	1.3
135.00890	1.5
137.02470	17.1
139.00415	1.2
146.06137	1.2
151.00380	7.3
151.04037	2.4
152.01164	52.7
153.01958	36.2
154.02290	0.9
163.00342	4.9
163.04051	1.4
165.01920	1.6
165.05676	1.2
167.03519	10.6
169.01483	2.1
177.02061	0.9
178.99887	5.6
179.03535	1.4
181.05167	3.5
191.00000	2.4
197.04608	2.0
211.04066	0.9
227.03561	2.1
231.03033	1.0
255.03067	1.9
281.06931	0.9
299.01999	3.1
300.99954	1.7
311.07849	1.6
317.03043	3.3
317.19812	1.2
326.55319	3.0
353.05228	1.4
402.55832	1.2
435.09085	1.0
461.06958	1.6
479.12198	51.3
480.12631	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	479.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	1.2
62.96504	0.9
65.00331	1.3
65.52781	0.8
68.21134	0.9
71.05022	12.0
77.03983	1.9
79.01904	6.1
93.03438	1.2
95.05014	1.1
97.02954	6.7
109.02955	3.7
121.02956	11.2
123.04535	8.6
125.02419	1.5
137.02415	2.0
138.03268	2.7
139.04028	100.0
140.04375	3.8
144.02014	1.1
149.02466	8.3
151.04048	4.9
153.05653	1.1
159.04582	1.2
161.02493	1.1
161.06181	1.3
163.04036	4.3
164.04755	1.5
165.01952	38.5
166.02771	6.6
167.03503	30.6
175.03958	6.7
177.01955	15.8
179.03473	1.8
180.04231	1.1
181.05135	1.4
183.03040	1.1
185.06120	1.0
188.04922	1.7
189.01938	5.4
189.05588	2.8
190.02687	1.9
191.03429	5.3
193.01425	29.7
193.05089	1.1
195.02994	15.0
199.04050	2.4
201.01997	1.5
203.07138	1.6
209.04573	2.7
213.05582	4.4
217.05161	1.8
218.32419	1.0
219.02960	1.7
227.07152	1.3
231.06651	2.3
241.05063	0.9
254.05605	1.0
255.06679	4.7
273.07767	3.9
289.07199	25.2
298.98462	1.9
299.05618	48.3
300.05920	4.0
300.98810	1.3
313.07156	5.8
316.01703	1.1
317.06674	89.1
318.06970	7.0
327.07111	1.3
355.06686	6.5
356.06949	1.1
357.08319	5.5
451.12952	1.2
456.33890	0.9
461.11002	3.4
479.07529	2.9
479.24915	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54769	1.2
55.01880	1.3
57.03457	1.6
59.01090	2.2
59.01382	36.3
66.70011	1.1
66.95387	1.1
67.01886	1.4
67.90919	1.2
69.31562	7.3
71.01383	15.3
72.99312	1.6
73.02945	6.0
76.48689	1.1
78.27863	1.1
79.05534	3.6
81.03454	2.3
83.01408	3.6
85.02953	6.2
87.00909	2.8
87.04533	1.4
89.02445	4.5
91.01889	1.3
93.03455	2.8
93.37225	1.4
95.01401	2.2
97.03007	1.5
99.04536	1.4
101.02455	10.0
101.43818	1.1
105.03463	4.4
107.01393	9.6
108.02178	11.7
109.02972	6.7
111.00913	2.0
113.02463	7.1
119.03522	2.7
121.02962	2.3
121.06612	2.9
123.00873	8.9
123.04535	23.3
124.01659	3.4
125.02457	49.3
128.45674	1.1
135.04623	1.4
137.02486	6.5
137.09779	3.5
139.00409	3.7
139.04005	4.1
140.01208	1.9
149.02473	9.7
151.00391	13.5
151.03981	1.6
152.01170	24.6
153.01979	9.2
155.10782	26.2
161.02393	1.3
161.04544	2.4
163.04042	1.5
164.04832	3.1
165.01933	4.1
165.05573	54.6
165.12814	1.4
166.02734	3.3
166.05881	1.9
167.03497	32.2
167.04929	1.7
168.00627	2.1
169.01430	58.4
178.99852	2.3
179.07155	1.4
181.05066	1.9
181.08731	1.7
183.10220	2.2
199.09782	7.6
207.13937	1.9
209.11838	2.0
211.02440	2.5
225.15012	1.6
227.12869	13.9
227.14890	2.0
245.13940	1.4
261.65192	1.3
269.13986	3.8
281.06708	3.0
287.15005	37.9
288.15411	1.8
297.06195	12.7
299.05765	3.0
299.09006	1.5
301.03558	4.5
302.03976	5.6
303.04102	10.5
311.07825	8.8
313.05661	37.3
314.05841	1.6
317.06491	5.2
317.10074	2.5
329.15948	2.2
367.27866	1.2
389.18192	6.1
433.24417	3.1
438.76596	1.6
461.14377	2.3
461.20407	1.4
479.11981	100.0
479.21362	41.4
480.12274	10.6
480.21625	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	479.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71189	1.0
57.03453	1.7
59.01385	1.2
60.97765	0.9
61.98854	1.1
67.01892	2.1
69.03471	1.3
69.11142	6.6
71.01395	3.8
76.09511	1.0
79.01909	1.5
79.96777	0.9
83.01386	1.9
93.03493	1.7
95.01395	2.4
95.05011	1.2
100.12381	1.1
101.02467	2.1
107.01413	11.9
109.03008	1.8
111.00906	3.3
113.02459	2.6
119.05043	6.9
123.00891	13.9
123.04545	1.1
124.01702	2.1
125.02463	80.0
126.02819	2.5
129.03484	10.5
130.04251	1.9
131.55569	1.0
135.04573	6.0
136.98877	2.0
137.02473	5.3
139.00378	5.6
140.01181	2.9
141.01932	1.1
145.03062	1.0
146.03773	3.3
147.04539	72.9
148.04875	3.0
149.06129	1.1
149.52393	1.0
151.00400	8.0
151.04062	1.0
153.01988	3.5
161.02463	5.7
165.05586	79.0
166.05978	2.6
166.37724	1.0
166.99918	3.2
167.03529	4.1
168.00653	4.6
169.01440	100.0
170.01802	3.4
181.01306	1.1
193.01476	1.0
195.25696	0.9
202.02635	0.9
211.02521	2.3
223.00319	1.1
223.02458	1.4
229.01532	1.1
241.03716	1.5
253.03624	1.6
260.01056	1.0
269.04773	2.4
271.02402	1.5
272.72543	0.9
287.02167	1.1
287.05450	1.4
297.06351	1.4
309.03909	3.6
311.04544	1.1
313.05670	65.3
314.06085	3.9
315.98911	2.2
316.02399	3.3
317.03058	2.4
327.04907	1.6
327.11035	3.0
341.02655	1.3
421.55164	1.0
446.62421	1.1
448.06168	1.1
449.10861	5.0
461.10934	29.7
461.17206	1.5
462.11520	3.0
479.12158	83.3
480.12589	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17529	0.7
59.01381	2.0
60.01997	0.7
64.65366	0.7
65.00297	0.9
69.02699	6.1
71.01378	1.0
73.02979	0.8
81.03480	1.1
83.01404	1.4
85.02959	1.4
91.01887	0.7
93.03469	8.6
98.22537	1.6
107.01419	2.6
107.05042	0.8
108.02186	100.0
109.02983	34.7
110.03294	1.5
113.02473	1.1
121.02978	1.7
123.00932	2.3
123.04527	4.4
125.02477	2.8
133.03012	1.3
135.00890	1.5
137.02470	17.1
139.00415	1.2
146.06137	1.2
151.00380	7.3
151.04037	2.4
152.01164	52.7
153.01958	36.2
154.02290	0.9
163.00342	4.9
163.04051	1.4
165.01920	1.6
165.05676	1.2
167.03519	10.6
169.01483	2.1
177.02061	0.9
178.99887	5.6
179.03535	1.4
181.05167	3.5
191.00000	2.4
197.04608	2.0
211.04066	0.9
227.03561	2.1
231.03033	1.0
255.03067	1.9
281.06931	0.9
299.01999	3.1
300.99954	1.7
311.07849	1.6
317.03043	3.3
317.19812	1.2
326.55319	3.0
353.05228	1.4
402.55832	1.2
435.09085	1.0
461.06958	1.6
479.12198	51.3
480.12631	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	479.12
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30093	0.8
55.01865	1.3
59.01375	1.4
70.09081	2.0
71.05026	18.3
79.01885	2.7
87.47356	0.9
93.42570	1.0
97.02979	5.5
107.05122	0.9
109.02940	3.9
121.02953	7.9
123.04536	6.0
134.03764	1.2
137.02458	2.7
138.03244	5.3
139.04024	100.0
140.04375	1.7
149.02493	5.2
150.03256	1.9
151.03992	6.4
161.02451	1.6
164.04823	1.0
165.01933	16.8
165.05539	0.9
166.02727	18.0
167.03522	12.0
174.03226	1.7
175.03975	9.3
177.01936	17.5
185.06006	1.5
189.05652	1.9
190.02711	3.5
191.03458	2.7
193.01425	19.1
195.02959	2.4
199.03970	2.6
201.01941	2.3
203.07205	2.0
213.05533	6.1
216.04353	1.7
217.05054	2.0
227.07086	2.0
229.08836	1.0
231.06598	4.7
245.08113	2.1
255.06641	7.9
257.04529	1.5
265.57764	0.9
271.06113	1.8
273.07733	7.8
274.08157	1.0
289.07239	9.9
299.05618	54.4
300.06046	3.3
307.58908	1.0
317.03186	4.3
317.06647	52.3
318.07098	3.8
339.55096	0.9
435.12738	1.3
451.12451	6.9
452.12750	1.0
460.83749	0.9
461.10895	6.1
479.11987	58.0
480.12207	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67804	0.2
51.27803	0.3
55.74843	0.2
57.03453	1.1
59.01381	1.8
61.98816	0.5
62.57141	0.3
65.00314	0.8
67.01887	0.3
71.01380	1.1
71.03088	0.4
81.03463	6.0
83.01400	3.6
85.02974	0.4
93.03468	0.9
95.01422	0.4
95.05039	1.3
97.02957	0.7
99.04565	0.3
107.01392	0.5
108.02186	0.8
109.02958	3.1
119.04977	0.4
121.02964	0.7
123.00919	0.8
123.04535	38.8
124.04882	1.0
125.02464	7.5
125.48946	0.3
135.04561	0.6
137.02481	1.8
137.06071	0.4
138.03238	0.5
139.00391	0.6
139.04021	0.9
140.01158	1.2
144.60423	0.3
149.02434	1.8
151.00401	1.8
151.04008	1.0
152.01167	0.7
153.01933	4.5
163.04025	1.5
164.91013	0.3
165.01985	0.4
166.02722	2.9
167.03506	100.0
168.03859	3.0
169.01369	0.6
174.52982	0.3
175.00410	1.4
179.03510	1.3
180.04269	0.3
181.05080	7.1
182.05458	0.3
182.99443	1.1
191.03520	21.0
192.03854	0.8
198.01697	0.5
209.04567	11.1
221.02676	0.3
221.04501	1.9
233.04608	0.5
239.05579	0.5
240.18539	0.3
269.06665	1.2
297.06195	8.5
298.06470	0.3
311.07822	0.8
397.59744	0.3
479.05383	0.6
479.11670	6.8
479.58176	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.3
57.03438	1.3
58.00581	1.8
59.01379	47.4
61.98824	1.2
69.92240	3.2
69.92583	1.4
71.01387	32.7
72.99286	3.2
73.02935	4.0
74.72787	0.9
74.99087	2.0
79.01841	1.2
83.01380	3.3
85.02553	0.9
85.02955	10.0
87.00890	6.9
89.02451	38.1
93.03429	1.2
95.01369	3.6
96.96008	1.2
97.02939	1.1
99.00851	2.3
101.02451	22.7
103.00446	1.1
107.01379	5.8
108.02101	1.1
111.00866	2.5
112.15918	1.0
113.02457	16.0
117.05551	4.7
119.03505	18.5
120.99642	5.8
121.02959	1.3
123.00135	1.4
123.00900	13.9
125.02456	28.5
131.03477	2.6
136.98918	1.4
137.02434	3.1
139.00357	4.7
140.01125	4.1
141.01924	1.9
143.03470	3.9
149.02458	1.7
149.04512	1.8
151.00360	10.2
151.03969	1.3
153.01958	2.6
161.04575	6.4
163.04015	1.4
165.01883	6.8
165.07672	3.6
167.03488	1.1
168.00610	4.4
168.04251	3.7
169.01430	36.2
171.31569	1.3
174.79697	1.0
177.01944	10.4
179.05598	10.3
180.04291	7.4
183.06572	7.6
189.01839	1.2
192.04269	6.0
195.06650	23.5
195.08400	0.8
207.06627	2.7
210.05226	1.2
211.02490	9.7
211.04297	2.0
217.01382	1.4
225.07597	2.5
229.05412	2.0
243.08665	4.8
245.00842	1.1
269.08215	1.4
270.98889	1.2
271.04626	12.8
284.06732	1.4
299.09265	3.8
300.99869	2.4
313.05588	1.2
317.12314	3.0
333.69754	1.2
375.26746	1.1
387.12796	8.5
391.10635	1.2
405.14050	2.0
479.13937	100.0
480.14294	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	479.1559
Annotation	Albiflorin
Peak:m/z	Relative Intensity
59.01373	2.8
61.29453	0.6
61.98817	1.0
69.07745	3.7
69.08144	1.4
72.99265	0.6
83.64243	0.6
89.02445	1.0
89.80100	0.6
92.69028	0.6
96.83728	0.6
101.02454	1.3
107.05093	0.8
109.02992	0.6
121.02940	0.8
123.04519	0.7
125.02438	0.9
135.04503	0.9
139.04030	5.9
145.02953	3.2
153.05563	0.8
162.74686	0.7
163.03969	0.8
181.05081	1.5
182.74806	0.6
191.05731	0.8
197.05998	1.2
209.06128	4.1
210.06755	1.3
211.04167	0.8
221.06046	1.8
222.06865	1.5
225.05428	5.0
226.06299	4.1
227.07227	0.8
228.07924	5.8
237.05609	7.9
238.06349	4.8
239.03554	1.1
241.05211	0.7
249.05692	1.7
250.06281	1.2
251.07083	1.9
253.05042	7.0
254.05872	20.9
255.06522	4.2
255.11360	10.4
256.07449	6.9
256.11731	0.8
265.05096	1.5
266.05847	7.0
267.06598	5.9
268.07425	13.1
269.08194	30.1
270.08585	2.6
272.06824	2.6
281.08032	0.9
282.05338	1.8
283.06143	18.8
284.06900	37.2
285.07278	2.9
287.09283	29.4
288.09641	2.5
299.09262	100.0
300.09598	6.8
317.10181	8.2
449.14526	7.4
461.14563	5.3
479.15973	8.0
480.16055	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.5
56.87303	0.5
57.03445	1.3
58.00594	0.7
59.01379	7.2
59.74520	0.5
61.98841	4.0
65.00317	0.7
68.99811	1.0
69.02052	1.8
69.02472	2.4
69.03464	0.5
71.01387	12.0
72.16315	0.4
72.99321	1.0
73.02957	3.0
78.40568	0.4
79.01915	0.7
82.95430	0.6
83.01395	2.3
85.02956	5.8
87.00354	0.8
87.00883	10.2
89.02466	2.8
93.03463	42.7
94.03799	1.0
95.01404	3.1
95.05040	0.7
96.99332	1.8
97.02956	1.1
99.00877	1.1
101.02447	7.9
108.02203	3.9
109.02956	2.1
113.02457	4.9
115.71792	0.5
119.03506	0.8
119.05052	0.9
120.99664	1.3
121.02959	5.8
122.03726	1.1
123.00872	1.3
123.04501	3.3
125.02432	2.1
135.04524	3.8
136.01689	5.5
137.02455	89.7
137.09764	1.1
138.02847	1.8
139.04004	1.9
143.03528	0.5
147.04559	1.7
149.02444	8.0
149.06094	1.5
150.03091	0.6
151.00368	0.7
151.04047	5.4
153.01874	0.7
155.10799	5.9
159.25031	0.5
161.04568	1.7
163.04025	20.0
164.04803	79.0
165.01967	3.4
165.05577	19.3
166.06009	0.8
167.03496	1.2
167.07204	1.1
169.01472	1.1
177.05557	1.1
178.06363	5.5
179.03683	3.0
179.07141	33.2
180.07491	1.2
183.02960	1.1
183.10251	0.7
193.05101	0.7
195.06641	1.3
199.09790	2.0
205.05118	0.7
207.06671	0.9
209.04576	5.0
213.07678	1.0
218.79759	0.7
221.04575	1.3
223.06097	0.5
237.07697	0.7
239.05746	1.3
265.07178	1.1
281.06674	69.7
282.07031	3.6
294.92200	0.6
299.09320	0.6
301.03424	1.2
302.03940	1.1
303.04144	1.3
309.09824	1.0
317.10153	1.5
323.14960	1.0
341.06592	0.6
341.28635	1.9
355.10489	0.8
355.26398	1.0
357.27997	4.8
358.28366	0.5
369.27985	1.8
385.27679	1.1
389.26758	0.8
389.30768	8.0
390.31079	1.2
435.31186	26.2
436.31665	3.2
461.14551	47.9
461.28268	2.8
462.14941	4.5
479.08145	2.9
479.15439	8.4
479.21841	6.9
479.30157	100.0
480.15775	1.1
480.22696	0.9
480.30450	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	479.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85780	0.3
56.49642	0.3
59.01394	0.4
61.98839	0.5
65.03955	0.7
71.01376	0.5
71.29130	0.3
80.35712	0.3
86.20760	0.3
89.87379	0.3
93.03467	59.5
94.03780	1.6
97.02976	0.4
108.02187	0.9
109.02941	0.7
118.30817	0.3
122.03798	0.3
135.04529	0.6
135.77423	0.3
137.02460	100.0
138.02783	2.6
152.01149	0.6
153.09236	1.3
154.47426	0.3
197.08255	0.5
221.08273	0.4
222.08675	0.3
239.09265	0.4
281.10281	0.5
290.32010	0.3
341.12573	0.4
443.15009	1.1
479.08060	0.6
479.15646	1.5
479.22827	0.7
479.30206	1.2
480.15421	0.4
488.06454	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.5
56.61738	1.1
57.03437	3.2
58.00582	4.0
59.01381	100.0
61.98829	1.2
70.25932	1.0
71.01385	68.5
71.13622	1.1
72.99311	7.1
73.02943	9.3
74.99100	2.9
83.01401	6.0
85.02951	17.4
87.00881	10.9
88.69611	1.1
89.02451	79.9
90.02831	1.3
95.01398	6.5
99.00856	2.9
101.02448	47.9
102.98598	1.5
108.02187	1.4
109.02960	1.4
111.00947	1.2
113.02455	31.8
117.05567	1.7
119.03499	38.1
120.99651	10.5
121.02918	1.3
123.00869	2.6
125.02451	4.0
131.03517	5.5
136.01688	1.4
136.99121	1.7
137.02452	3.4
139.00412	1.1
143.03506	6.7
149.02477	2.3
149.04564	3.2
150.03262	2.2
151.00346	3.4
152.01118	2.6
153.01962	2.9
153.05591	2.3
159.03021	2.1
161.02423	2.1
161.04570	12.3
163.75195	1.0
165.01932	12.3
165.05615	1.5
166.02675	3.8
167.03490	1.3
168.04265	8.1
168.08678	1.2
169.01427	3.6
177.01939	22.7
177.20488	1.6
178.02356	1.4
179.03387	1.3
179.04030	1.9
179.05617	23.5
179.07179	2.0
180.04317	13.2
183.06612	16.0
184.76582	1.2
191.03564	1.6
192.04277	13.6
195.03008	1.8
195.06641	44.6
196.07063	1.5
207.06659	7.2
210.05350	2.4
211.04128	1.4
221.06674	3.7
225.07661	6.2
229.01433	1.3
229.05202	1.6
243.08780	10.3
269.08459	1.3
271.10977	1.9
273.00378	1.2
275.02081	1.4
281.99689	1.2
284.07013	1.2
298.98068	2.0
299.09265	3.1
300.99957	3.5
317.12491	8.9
387.12943	17.9
388.13242	2.2
405.13892	2.7
463.79294	1.4
479.12384	2.1
479.17453	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	479.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07144	0.8
52.53622	0.9
59.01382	100.0
61.98838	1.4
71.01385	10.9
71.22603	0.9
71.29062	1.1
72.99314	0.8
73.02953	1.6
81.33281	0.9
83.01380	0.9
85.02952	2.4
87.00865	1.8
88.79366	0.9
88.98815	1.0
89.02451	15.5
93.03465	2.2
101.02457	7.0
113.02446	4.2
119.03506	3.9
121.03001	1.3
122.03762	2.1
123.00937	1.2
123.04523	1.4
125.02470	2.4
137.02446	2.5
143.03525	1.9
145.02998	1.1
148.93958	0.9
150.03268	1.1
153.01945	5.2
153.05516	1.7
155.62962	0.9
161.04590	5.4
168.04291	11.4
169.01463	2.3
179.05630	12.1
183.06625	46.0
184.06982	1.4
243.50954	1.0
254.05864	2.1
255.11360	2.9
268.07272	1.3
269.08194	2.7
269.13193	1.2
275.01639	0.9
283.05997	1.1
283.46219	1.0
284.06894	3.5
287.09283	3.6
298.98407	1.3
299.09207	10.1
302.93375	1.2
359.96921	1.0
389.13647	1.4
435.09692	1.3
443.19196	1.0
479.11514	1.5
479.17151	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1959
Annotation	Paraensidimerin G
Peak:m/z	Relative Intensity
57.03455	0.8
59.01385	25.3
61.98827	1.0
63.02390	2.4
65.00319	3.1
71.01370	2.2
71.29720	1.4
74.99107	4.8
83.01382	3.1
85.02943	1.0
86.99088	2.3
87.00885	2.3
89.02452	1.5
93.03474	2.2
95.01395	2.6
96.95998	1.2
101.02418	1.4
107.01402	6.1
108.02193	3.2
109.02967	14.2
120.02290	0.8
121.02979	1.5
123.00912	2.3
123.04538	2.9
123.08173	2.1
124.01652	2.7
125.02460	5.8
133.02946	1.3
135.00897	2.7
135.04498	2.0
136.99182	2.4
137.02458	5.3
139.00423	1.2
139.04076	1.4
139.07690	1.0
139.81354	1.2
141.09198	1.4
148.95749	0.9
149.06099	1.2
151.00385	21.6
151.04015	1.7
152.01143	4.1
153.01950	5.5
154.04601	1.9
155.05345	3.0
157.06952	2.3
161.02554	1.5
163.00378	20.2
163.01701	1.5
165.01897	1.4
165.05545	1.1
167.03513	6.0
167.07153	3.3
169.01436	4.0
170.07709	9.5
171.08466	1.7
172.05641	15.6
173.06212	1.1
175.04088	1.2
177.01996	1.2
178.99872	18.8
180.00374	1.0
180.04352	1.2
189.01910	1.0
189.99254	1.0
190.99905	6.0
195.06630	1.8
197.02708	1.4
199.03949	1.0
201.01868	0.9
203.03574	1.6
206.99376	3.4
208.00194	1.1
209.08139	1.0
211.04147	1.3
227.03519	7.1
231.02991	1.7
243.03073	1.0
245.04610	1.3
251.14786	8.6
253.12672	21.9
254.02213	2.0
254.13072	1.0
255.03003	7.2
267.17908	7.1
269.15799	21.8
271.02542	1.5
271.13739	32.8
272.03094	2.1
272.13937	1.3
273.03674	1.8
289.03604	1.9
299.02054	11.5
299.18637	2.7
300.02420	4.7
300.99783	1.8
301.02652	4.4
302.03561	1.4
311.07907	2.6
311.16818	1.1
313.14774	3.0
316.05371	1.9
317.02823	11.9
317.19702	5.0
326.54895	1.6
329.17896	2.8
331.15814	14.9
332.16470	1.1
341.02966	1.1
353.05203	4.2
359.20810	1.6
373.16791	4.3
391.17978	19.5
392.17984	1.3
417.08313	1.4
419.17651	2.7
451.09000	3.8
453.42947	1.0
461.07462	6.3
461.18280	4.3
479.09210	10.6
479.19675	100.0
480.09241	1.9
480.20096	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	479.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	7.7
58.00598	3.0
59.01092	2.3
59.01381	39.1
61.98822	3.9
69.03462	13.5
71.01382	38.6
71.05042	6.2
71.05375	1.4
71.29652	1.6
72.99326	3.4
73.02947	9.4
73.04709	1.1
73.05209	1.3
74.99084	1.7
81.03465	1.7
83.01385	3.9
85.02962	13.6
87.00874	4.2
87.04501	1.3
89.02450	25.3
93.03449	6.1
93.07122	2.9
95.01392	2.4
97.02954	4.8
97.06586	2.1
99.00903	2.3
101.02446	21.0
107.01404	2.8
108.02200	7.2
109.02962	13.0
109.06639	2.7
111.00895	3.8
111.08192	3.0
113.02456	14.0
119.03513	9.0
119.05025	7.9
120.05385	2.7
120.99665	1.9
121.02958	6.1
121.05663	1.4
122.03738	7.3
123.00886	4.4
123.04529	12.4
125.02476	9.3
126.02776	1.9
127.07693	7.9
131.03572	1.7
133.05081	10.3
135.04546	1.4
137.02444	11.2
137.06149	6.0
139.04021	25.5
139.11298	29.3
143.03487	1.6
145.04939	1.5
149.02467	3.0
149.06104	1.3
150.03224	3.6
151.00427	3.3
151.04045	3.8
151.06116	18.1
152.01180	6.3
153.01949	14.9
153.05537	1.3
155.07162	3.5
161.04607	5.8
163.03984	3.9
164.01193	3.3
164.04713	3.2
165.01918	12.8
165.05579	3.4
166.02643	2.5
167.03502	15.3
169.01404	6.9
170.01791	2.0
175.03999	2.4
175.06137	10.9
176.10942	1.3
177.01952	4.4
179.05602	8.0
182.02217	2.6
183.10263	100.0
184.10590	3.1
185.06082	1.4
189.01974	1.9
191.03465	1.7
193.01428	7.7
193.05061	4.2
195.03014	4.4
197.04553	4.2
197.11823	14.0
205.07303	1.4
217.07109	2.0
225.11311	17.7
255.06708	1.7
273.07498	1.3
278.90228	1.2
281.06720	5.9
289.07166	5.6
295.10379	26.3
299.05618	13.2
311.07828	3.8
313.05643	1.4
313.11353	25.0
315.06641	3.0
316.02249	3.9
317.03046	1.9
317.06711	34.8
317.10211	3.1
318.07080	2.6
357.08224	2.4
435.13171	9.8
436.12473	1.4
479.11127	20.0
479.21198	2.7
479.25061	5.8
480.11459	3.7
500.96680	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20110	2.1
57.03440	2.5
58.00581	2.5
59.01381	78.8
61.98826	6.3
71.01389	39.5
71.37244	1.8
72.99305	3.4
73.02950	19.5
76.66666	2.0
83.01405	3.9
85.02965	12.9
87.00874	6.1
87.04496	6.0
89.02457	24.5
93.03468	9.9
95.01375	3.6
97.02926	2.1
98.22572	5.8
99.00896	3.5
101.02449	39.6
103.04044	10.2
107.01409	4.7
108.02180	38.1
109.02959	7.6
111.00895	2.7
113.02462	10.6
115.04015	3.3
119.03498	12.8
119.04977	2.1
120.99662	6.3
121.02934	7.4
123.00926	3.6
123.04541	37.4
124.01659	2.2
125.02472	11.8
131.03505	4.2
134.29549	1.9
135.04532	2.3
135.08199	3.7
137.02437	19.4
137.06114	2.0
137.09735	11.7
138.03212	6.8
138.10100	2.0
139.00436	2.8
139.04018	6.7
139.11314	2.8
143.03500	4.5
145.05055	4.2
149.02353	2.4
149.06097	9.0
151.00385	11.9
151.04018	14.6
152.00960	4.2
153.01929	6.5
155.10789	75.3
161.04529	5.4
163.04015	5.7
163.06136	37.3
163.07487	1.8
164.04805	2.3
165.01917	6.2
165.05568	26.8
167.03473	3.3
169.01462	9.5
172.21126	1.8
175.03937	3.0
177.01921	2.3
178.02710	3.8
178.99916	3.9
179.03551	3.2
181.08719	3.4
183.10291	4.6
193.05061	52.4
197.08353	2.6
199.09773	20.4
205.07195	8.4
225.11264	2.4
227.12915	2.6
241.10863	4.0
255.11230	1.9
263.46838	2.1
275.01959	4.0
285.03882	2.2
299.05615	5.0
299.09439	6.7
299.99115	2.3
301.00012	4.7
301.03485	9.9
302.03833	6.8
302.07825	4.2
303.04071	20.5
313.05624	5.9
316.02426	2.0
316.09412	3.6
317.10306	48.3
325.36371	2.3
327.10895	3.9
355.10370	4.3
433.24466	4.5
479.15378	19.3
479.21387	100.0
480.21515	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	479.3381
Annotation	24-epi-Brassinolide
Peak:m/z	Relative Intensity
50.21249	1.3
50.59802	1.3
50.67665	1.3
61.00375	1.3
61.98813	2.3
63.67179	1.3
69.10255	10.6
71.01389	1.8
71.16381	1.5
78.81002	1.3
116.92905	1.4
137.81517	1.4
161.51575	1.4
183.30151	1.6
197.40601	1.4
206.26266	1.4
222.59070	1.7
233.93300	1.6
251.26826	1.3
261.87979	1.6
281.24854	1.9
328.23029	1.5
341.28406	9.7
343.30048	57.0
344.30328	4.5
345.31668	16.4
373.34750	13.3
377.30579	4.9
389.30716	5.9
391.36359	1.7
406.55588	1.4
417.33734	42.7
418.34225	3.4
423.06631	1.6
435.35092	2.3
479.33847	100.0
480.34262	9.7
501.18835	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.0477
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.6
59.01385	9.9
60.86182	1.0
61.98836	100.0
64.10612	0.9
65.00328	1.8
69.23899	5.9
71.01389	2.8
74.99107	1.1
78.17316	1.0
79.95743	77.6
80.96530	1.3
81.95315	2.1
83.01406	2.2
93.03490	1.8
95.01422	1.3
97.02959	1.6
101.02475	1.8
104.84440	1.0
107.01410	5.4
108.02174	5.2
109.02950	2.4
111.00880	2.8
113.02483	1.7
121.02970	2.1
123.00878	6.9
123.04536	7.9
124.01669	2.9
125.02463	34.0
137.02455	8.1
138.03127	1.3
139.00385	13.6
139.04028	9.2
140.04347	1.3
145.02966	1.5
146.05960	1.0
148.01724	1.1
149.02469	3.6
150.03198	5.3
151.00417	9.5
151.04041	1.9
152.01164	13.4
153.01950	5.4
161.04518	1.5
163.03917	1.5
165.01945	19.6
166.02515	1.2
166.06358	3.3
167.03519	11.2
167.06641	2.5
168.00626	2.2
168.06935	1.8
169.01451	32.0
169.02838	2.2
175.00362	1.6
177.01988	1.6
178.99858	9.2
181.08733	4.1
182.09024	3.9
183.02995	1.3
183.09311	1.5
190.02701	1.2
191.03563	1.9
193.01410	19.6
194.01857	1.5
198.00827	64.1
198.51027	10.1
199.00891	2.0
209.04576	1.4
237.98665	83.9
238.48874	11.8
238.80441	1.1
238.98578	5.1
255.03006	1.7
275.02185	1.1
283.02499	4.0
301.00015	2.9
301.03442	2.1
312.99890	1.0
313.05695	22.8
345.08206	1.8
349.48920	1.1
355.06744	3.1
429.88739	1.1
437.10931	3.5
463.08789	4.5
480.12332	1.6
481.10031	32.4
508.69629	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.9
58.96069	0.8
59.01384	4.6
61.98834	100.0
70.22199	0.7
70.91960	1.7
71.01376	2.7
79.95746	14.4
90.24342	0.8
95.01414	1.0
97.02944	1.5
107.01379	3.5
108.02168	7.2
109.02932	2.5
121.02926	1.4
123.00933	4.9
123.04556	5.5
124.01681	1.5
125.02460	21.6
137.02444	2.0
139.00363	3.4
139.04022	6.0
150.03171	1.4
151.00383	3.5
151.03972	1.2
152.01172	10.3
153.01932	2.1
165.01994	5.5
166.06314	1.8
167.03513	8.6
167.06668	1.4
168.00687	1.3
168.06845	1.2
169.01447	28.9
177.01971	1.2
178.99823	3.2
181.08769	2.1
182.08998	2.1
193.01427	5.0
198.00812	13.6
198.50935	2.9
229.01360	0.9
237.98662	15.9
238.48766	4.1
238.98679	1.0
283.02383	1.1
300.99921	1.9
307.95673	0.9
313.05698	20.3
345.08469	2.0
351.01999	1.0
360.17728	1.1
437.10895	2.8
463.04660	2.0
465.25928	0.9
481.10049	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.5
59.01382	6.9
61.98833	100.0
69.03474	0.7
69.05164	3.0
71.01379	3.2
72.99296	0.4
73.02958	0.5
74.99104	0.4
81.03473	0.8
83.01413	0.8
85.02975	1.1
89.02448	3.6
93.03461	1.6
95.01437	0.5
99.00935	0.3
101.02446	2.5
107.01418	0.7
108.02203	1.0
109.02975	0.8
113.02450	1.7
119.03540	1.3
120.99699	0.7
121.02960	2.5
123.00903	0.9
123.04538	4.6
125.02460	5.8
126.02842	0.4
130.48894	0.4
134.76109	0.3
135.04529	0.5
136.99130	0.5
137.02463	2.5
138.03104	0.8
139.00380	0.5
139.04025	13.1
140.01192	0.4
143.03532	0.3
147.27821	0.4
148.05345	0.5
149.02509	0.7
149.04643	0.4
151.00366	1.8
152.01105	1.3
153.01973	0.4
155.10876	0.4
161.04593	0.7
163.04047	0.4
163.07637	0.4
164.04837	0.9
165.05595	1.0
166.06007	0.7
167.03508	8.5
168.00679	0.6
169.01434	5.5
170.01816	0.6
179.03542	0.7
179.05653	1.4
179.07135	0.7
191.03552	0.4
211.02612	0.6
221.66637	0.4
239.05591	0.4
271.04709	0.6
275.01974	0.5
286.52341	0.3
301.00043	0.9
301.10941	1.3
313.05658	2.2
317.02994	0.7
318.03497	0.8
439.09113	0.4
480.15912	2.3
480.22253	0.8
481.10168	9.3
481.17316	3.9
492.78186	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	5.6
57.03445	5.8
59.01382	27.5
59.21783	4.6
61.43637	4.5
61.98832	98.9
65.21510	4.8
71.01391	33.1
73.02962	23.6
83.01411	15.4
85.02939	18.4
87.59113	4.6
87.80540	4.2
89.02446	6.6
90.33297	4.0
93.03420	5.6
99.00866	8.0
101.02444	45.6
108.02193	9.8
109.02934	10.3
111.00852	4.8
113.02463	15.9
135.04555	9.7
137.02390	6.9
149.02431	8.1
151.04041	6.8
152.01157	6.6
161.04541	17.0
164.04813	12.6
169.01343	5.8
170.16216	5.3
179.07126	8.6
236.13577	4.1
283.09885	6.6
291.18161	83.2
301.10721	7.5
436.31461	7.6
437.23929	100.0
438.24078	6.3
480.30453	10.7
481.16827	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	480.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17618	0.6
59.01395	1.9
61.98836	100.0
71.01396	1.3
97.79211	0.6
98.22494	1.1
108.01306	0.6
108.02188	1.1
109.03017	0.8
117.82896	0.5
119.28351	0.6
123.04549	6.4
152.01193	2.2
153.01956	0.8
153.05591	10.0
161.04643	0.7
167.03531	0.7
173.27058	0.5
195.06688	0.8
287.93292	0.6
300.36185	0.5
318.07504	0.6
329.49945	0.6
368.59756	0.6
463.16003	1.1
481.17160	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	481.0625
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98691	0.6
59.01382	2.2
71.01389	1.4
79.95739	0.9
85.02949	1.4
95.01405	1.8
96.96001	1.1
101.02431	0.7
108.40893	0.5
113.02487	0.6
123.00915	3.5
125.02475	2.8
129.03453	1.0
145.02972	2.0
147.04541	2.1
157.02979	1.6
159.04535	1.4
161.02374	1.1
163.04066	1.0
169.01424	1.7
173.02449	2.9
175.03967	2.4
185.02422	3.7
187.03998	0.9
189.01971	1.0
191.03471	2.7
201.01961	5.0
203.03502	6.0
213.01926	2.4
214.02710	0.7
217.01523	0.8
219.02979	2.5
228.00635	0.9
229.01437	14.9
230.01880	1.3
231.02968	3.9
245.00920	1.8
247.02431	1.6
249.04167	3.3
257.00961	12.9
257.03543	0.4
258.01633	5.7
273.00446	1.1
274.01157	1.8
275.01981	50.3
276.02365	2.5
283.99591	2.0
299.99118	2.0
300.99902	100.0
302.00211	5.8
363.72046	0.6
421.04303	0.7
481.06213	64.0
482.06686	5.1
482.12640	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0626
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50906	0.6
59.01366	2.0
70.49244	1.3
71.01353	0.8
80.87393	0.5
85.02936	0.7
90.32285	0.5
93.83802	0.6
95.01398	1.4
117.03471	0.7
119.05059	0.8
123.00859	3.3
125.02389	0.9
129.03369	0.9
141.03441	0.7
145.02945	1.9
147.04504	2.0
157.02895	1.2
159.04462	1.4
161.02443	0.6
163.04034	1.3
166.99850	1.1
173.02441	2.9
174.03246	1.1
175.03984	2.5
185.02414	4.1
189.01874	0.7
190.02814	0.7
191.03503	2.3
192.32513	0.6
201.01950	5.2
202.02486	0.8
203.03505	6.8
213.01945	2.0
214.02745	0.7
217.01419	0.7
219.02988	2.3
229.01419	15.2
230.02129	1.0
231.02988	5.0
245.00960	2.8
247.02469	1.8
249.04214	2.8
257.00919	11.1
258.01630	4.4
273.00464	1.3
274.01187	1.2
275.01981	50.0
276.02295	2.3
283.99600	2.8
299.99234	2.2
300.99905	100.0
302.00275	5.5
421.03870	0.8
456.75497	0.5
481.06259	57.4
482.06525	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	481.0627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32731	0.8
57.09175	0.8
59.01373	1.7
66.91216	1.0
69.12468	0.9
69.23634	2.1
69.24042	3.3
69.40545	0.7
71.01350	0.9
73.02995	0.8
74.10027	0.8
75.00858	1.3
77.78587	0.7
89.02500	0.9
93.03462	1.5
95.01383	1.4
101.02433	1.0
107.01331	0.9
109.02936	2.0
111.04517	2.6
112.98621	0.9
119.05008	1.4
123.00904	3.3
123.04518	1.9
125.02469	9.8
137.02521	0.9
139.00395	2.1
139.04005	3.4
145.02933	2.0
149.02470	1.4
151.00351	0.9
152.01151	1.2
153.01996	1.2
157.02969	3.5
159.04601	1.1
161.44170	0.8
166.99730	1.0
167.03520	4.0
169.01471	9.1
169.02844	1.7
173.02440	1.2
177.01950	2.0
179.03471	1.0
185.02438	4.5
190.02736	1.1
191.03491	1.0
193.01514	1.1
201.01950	2.3
203.03542	2.3
213.01967	9.4
215.03362	2.0
228.00719	1.0
229.01404	6.5
231.02965	2.4
241.01456	8.7
243.03000	1.8
245.00836	1.1
257.00970	6.0
258.01672	1.7
259.02466	4.4
273.00558	1.1
273.89200	1.1
274.01141	3.3
275.01965	3.0
283.02475	1.0
283.99579	2.0
285.00443	9.6
287.01981	10.3
297.00317	2.0
299.99173	11.8
300.99911	27.9
302.00378	2.5
312.99930	68.3
313.05762	3.1
314.00507	10.7
315.01517	23.4
316.01840	1.8
319.08163	3.0
324.99939	1.8
328.99384	3.4
329.08810	1.1
329.99933	1.4
331.00980	39.8
332.01291	2.2
343.00958	22.0
344.01352	1.9
355.00995	1.6
373.02014	10.4
437.11041	4.8
445.04169	1.8
463.04953	8.5
481.06189	100.0
482.06479	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	481.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.9
59.61559	0.9
61.69860	1.0
65.00317	1.2
67.01872	1.5
68.99807	1.2
69.25168	4.5
70.56112	0.9
71.01352	3.3
79.01881	1.2
81.03443	1.2
83.01372	1.1
85.02956	1.8
87.00906	1.1
91.01828	1.0
92.99773	1.4
95.01373	2.3
96.95927	1.1
101.02438	1.8
107.01352	4.3
108.02126	3.7
109.02948	6.5
110.00034	1.9
110.57288	1.1
111.00857	2.9
113.02404	3.1
119.05003	1.1
120.99668	100.0
121.02951	3.0
123.00903	19.2
123.04538	8.6
124.01699	10.1
125.02457	23.4
127.00316	1.4
135.00797	1.1
137.02385	4.1
138.03168	3.4
139.00385	8.0
139.04030	7.8
139.98859	1.0
140.01102	2.5
141.01860	1.5
151.00383	6.6
152.01207	5.0
153.01955	11.4
153.05510	1.8
155.03455	1.6
166.02631	3.9
166.06297	3.8
167.02187	1.8
167.03502	25.8
168.00539	4.0
169.01437	29.0
177.01807	1.4
181.01384	2.6
181.04967	3.5
181.08594	2.9
181.24281	1.2
182.02124	2.4
182.99214	1.7
183.02983	6.8
187.51018	1.1
193.01329	1.9
194.02132	2.4
195.02899	1.2
197.04495	4.9
209.04575	16.9
211.02495	6.5
212.78465	1.0
225.03722	1.2
239.05467	1.6
255.04956	1.8
269.06216	1.6
275.09109	3.7
297.05939	1.4
299.09009	1.4
300.99655	2.5
301.99283	1.2
303.08759	27.5
304.08868	1.7
311.09116	1.3
313.05701	7.4
314.05521	1.2
314.11548	2.4
318.11075	16.6
319.08191	1.6
319.11633	4.4
327.07007	3.1
329.13913	5.3
341.08566	9.1
341.13806	2.2
361.12732	1.6
385.76364	1.0
421.07883	1.4
423.30600	1.1
439.08511	2.5
449.07053	1.8
481.09427	47.1
482.09872	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0989
Annotation	Myrciaphenone B
Peak:m/z	Relative Intensity
53.78524	1.1
54.72886	1.3
59.01372	3.2
67.01891	2.6
68.99803	2.0
69.03447	1.3
69.34792	5.8
71.01376	10.8
73.02946	3.8
79.01851	1.5
79.31806	1.1
81.03447	1.4
83.01408	2.0
85.02955	5.6
89.02446	2.6
95.01402	5.1
97.02915	2.3
101.02442	4.0
107.01379	14.5
108.02181	3.8
109.02948	3.8
111.00896	6.1
113.02464	5.0
116.44066	1.2
121.02981	2.9
122.03735	15.4
123.00889	26.5
123.04523	21.5
124.01668	3.2
125.02454	78.5
125.70429	1.6
127.00368	2.2
136.98804	4.2
137.02440	1.7
139.00374	14.6
139.03996	1.8
140.01196	6.3
141.01958	3.5
149.02426	4.6
151.00369	24.7
151.03940	1.8
165.21623	1.2
168.00615	9.9
169.01430	100.0
170.01799	2.3
174.66287	1.2
179.03499	1.6
211.02556	2.3
224.81262	1.4
241.03517	2.1
297.06323	2.0
313.05692	20.9
329.08862	1.5
335.12717	1.2
396.47760	1.3
437.10876	93.4
438.11105	7.8
463.02280	2.8
463.08856	52.9
464.08960	4.4
480.41553	1.5
481.09885	73.4
482.10324	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	481.0991
Annotation	Myrciaphenone B
Peak:m/z	Relative Intensity
59.01376	1.2
67.01884	0.7
69.00755	5.4
69.03448	1.1
71.01389	2.0
79.01871	0.9
83.01398	1.0
85.02921	0.9
91.01888	1.1
95.01405	1.8
97.02953	1.7
103.13728	0.6
107.01403	4.4
108.02171	2.3
109.02959	3.1
111.00900	1.9
116.92825	1.0
122.03775	3.4
123.00907	5.7
123.04545	3.4
124.01693	4.2
125.02458	71.2
126.02795	2.0
136.98996	0.7
137.02464	1.5
139.00401	2.5
139.04018	0.8
140.01166	2.1
151.00362	3.7
152.01160	3.7
153.01900	2.8
154.02745	1.0
163.39867	0.7
166.99930	0.7
167.03508	8.1
167.07147	45.9
168.00670	6.6
168.07539	1.5
169.01437	100.0
170.01775	2.8
180.71577	0.8
183.03000	1.5
211.02441	2.1
225.78230	0.8
233.86819	0.8
264.52606	0.8
271.04889	0.9
311.07651	1.2
313.05652	18.3
314.06137	1.4
315.07153	0.9
331.06821	7.2
421.07727	2.4
481.13620	31.1
482.09497	1.4
482.14987	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	481.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47586	1.3
58.51905	1.3
59.01389	5.2
63.90603	1.0
65.00339	2.4
66.09382	1.1
67.01900	4.5
68.99818	1.4
69.03477	1.8
69.58454	1.1
71.01385	10.7
72.99361	1.7
73.02955	1.6
79.01894	2.9
81.03484	2.0
83.01410	4.2
85.02978	4.3
91.01922	3.1
93.03484	2.4
95.01402	10.6
97.02954	4.0
98.21780	2.3
99.00915	2.0
101.02468	4.7
107.01400	16.0
108.02209	4.6
109.02967	7.9
110.00144	2.0
111.00880	9.0
113.02449	5.8
118.14004	1.2
120.99690	10.4
121.02988	5.3
123.00903	81.0
123.04549	20.6
124.01696	22.0
125.02466	60.8
126.02792	1.7
127.00390	4.0
136.98897	3.6
137.02470	9.1
137.99603	1.5
138.03249	20.9
139.00386	11.7
139.04022	20.3
140.01160	4.8
141.01959	3.4
149.02464	1.9
149.99638	2.8
150.03252	4.3
151.00381	23.1
152.01230	9.3
153.01961	13.5
153.05568	6.3
155.03447	2.1
161.02443	1.2
165.01959	3.7
166.02725	13.3
166.99831	3.2
167.03508	44.6
168.00648	14.1
169.01442	80.0
169.05035	2.9
170.01813	2.6
175.00414	2.2
177.21288	1.2
178.99864	1.5
179.03572	1.6
181.01456	7.6
181.05029	9.7
182.02220	9.4
183.02991	19.0
189.01921	2.3
193.01465	8.2
194.02144	8.1
195.03011	3.9
197.04570	12.7
199.24501	1.3
209.04562	45.8
209.06560	2.2
211.02473	22.3
211.04338	2.3
225.04030	2.2
229.01375	2.2
235.95442	1.3
239.05659	4.9
253.03496	2.2
255.05144	5.7
257.00696	1.8
269.06693	9.5
275.02142	3.3
275.09253	1.5
297.06204	5.2
301.00058	8.1
301.03165	1.9
303.08755	16.1
311.07843	4.2
313.05667	7.2
318.11075	8.1
319.11874	2.2
326.06406	1.9
327.07278	13.0
329.05038	1.5
329.08859	1.9
341.08746	23.5
391.03030	1.8
421.07867	3.1
448.53384	1.4
466.02789	2.5
471.81882	1.4
481.09094	100.0
482.10431	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	481.099
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87783	1.8
55.01883	2.5
56.85171	2.0
59.01386	3.4
59.94915	1.8
71.01379	10.5
73.02943	2.1
85.02972	3.2
95.01411	4.7
97.02976	2.8
101.02442	3.5
107.01410	15.2
108.02200	4.3
109.02949	5.8
111.00915	6.7
113.02447	3.5
121.02933	2.1
122.03754	14.0
123.00894	28.4
123.04554	18.4
124.01723	2.4
125.02463	72.0
136.98851	5.0
139.00417	13.9
139.03972	2.4
140.01155	9.6
141.01929	4.2
149.02483	4.4
151.00394	19.6
153.02003	3.6
167.03470	4.9
168.00633	10.8
169.01443	100.0
170.01807	2.1
174.98058	2.6
185.00861	1.8
199.79793	1.7
211.02556	3.2
253.03577	2.4
297.06274	2.8
300.99695	2.4
313.05710	21.5
321.93933	1.8
329.08716	3.9
385.93051	2.0
437.10934	96.0
438.11212	10.5
463.08929	50.1
464.09271	4.4
481.03021	4.1
481.09912	70.6
482.10294	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	481.099
Annotation	Myrciaphenone B
Peak:m/z	Relative Intensity
54.39597	1.1
55.63214	1.0
59.01381	1.6
61.98828	2.3
63.20269	0.8
67.01894	0.9
69.03449	1.8
69.26916	3.9
69.27335	2.5
71.01383	5.9
79.01900	1.1
79.11959	1.0
83.01390	2.4
85.02960	1.2
90.62006	0.9
95.01409	1.5
97.02957	4.3
101.02453	2.1
107.01401	10.1
107.59886	1.0
108.02191	16.8
109.02967	4.0
111.00892	1.3
123.00893	10.4
123.04533	8.9
124.01655	1.5
125.02458	70.5
126.02798	1.5
136.98930	1.3
137.02437	2.1
139.00391	3.1
139.04033	10.1
140.01189	3.5
141.01952	2.4
151.00403	8.7
151.03996	1.4
152.01167	34.5
153.01952	6.2
163.04010	1.6
164.77563	0.9
165.01932	3.4
167.03513	28.2
167.07086	0.9
168.00658	3.3
169.01442	92.2
170.01740	3.6
181.01453	1.5
183.02986	1.7
191.52858	0.9
193.01320	1.3
195.02977	1.2
201.01971	1.1
211.02515	1.9
213.01970	1.1
229.01488	1.2
241.03510	2.0
253.03555	1.5
275.02151	1.4
300.99869	3.1
313.05688	65.2
314.05948	3.1
327.07394	1.1
345.08344	4.2
391.03510	1.7
437.11392	7.5
481.09943	100.0
482.10220	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	481.099
Annotation	Myrciaphenone B
Peak:m/z	Relative Intensity
59.01382	6.9
69.03432	1.5
69.17799	5.1
71.01102	0.7
71.01386	7.7
72.99305	1.8
73.02933	2.0
74.99094	1.9
81.03459	1.2
81.38205	0.8
81.52334	0.8
83.01388	1.7
85.02946	3.7
87.00877	1.6
89.02428	4.2
90.63596	0.9
93.03456	1.4
95.01402	1.9
97.02930	1.2
99.00864	1.3
101.02449	4.3
107.01395	9.8
108.02182	40.8
109.02979	19.4
111.00855	3.3
113.02425	3.1
115.04025	1.0
120.99670	1.0
121.02953	2.0
122.03763	1.0
123.00887	6.3
123.04504	3.5
124.01658	3.7
125.02456	11.7
126.99538	1.2
127.00413	1.9
135.04466	1.0
136.98907	2.7
137.02466	5.1
138.03235	2.1
139.00342	3.8
139.04034	14.7
140.01135	3.3
148.05278	1.0
149.06036	0.9
151.00375	3.2
151.03979	1.7
152.01163	47.0
153.01959	10.3
153.05557	2.9
161.04564	1.1
163.03993	2.4
163.07571	1.5
165.01886	1.7
165.05574	1.5
166.99881	1.9
167.03540	4.1
167.07133	2.0
168.00658	13.7
169.01454	12.6
169.05063	1.9
177.01831	1.2
178.99971	0.9
179.03488	1.1
179.05643	0.8
182.02287	1.6
183.02992	32.6
184.35864	0.8
189.52141	0.9
193.01401	3.8
193.98599	1.3
195.06625	4.2
201.11249	1.2
211.02399	1.6
225.03989	0.9
240.07906	1.0
245.11862	1.0
245.28975	0.8
266.05832	0.8
268.07431	4.9
283.09750	2.1
297.06076	2.4
300.99811	1.3
301.10840	8.8
312.04941	1.7
313.05716	5.9
315.07214	6.8
319.08203	1.0
319.11963	1.4
327.07321	8.4
357.11911	1.1
393.19635	1.2
422.08362	1.7
436.10861	0.9
437.10785	13.2
481.09814	100.0
481.21225	3.2
481.26376	3.2
482.10284	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	481.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44443	1.3
54.56487	1.2
55.56699	1.2
59.01368	3.1
61.89712	1.3
67.01858	1.7
69.03461	3.8
70.41643	4.1
71.01377	5.9
74.24182	1.3
79.01915	1.5
83.01378	2.3
85.02950	2.6
89.02446	2.2
91.01924	1.8
93.03457	5.9
95.01396	5.0
97.02965	4.1
101.02437	3.8
107.01406	4.2
108.02187	6.8
109.02950	5.0
111.00875	3.6
121.02975	9.6
122.11372	1.4
123.00903	38.8
123.04533	10.0
124.01681	36.1
124.72655	1.3
125.02462	60.6
127.00384	1.8
136.59386	1.3
137.02484	7.9
137.99594	1.4
138.03242	20.6
139.00374	7.4
139.04027	97.1
149.02481	2.1
149.99605	52.2
151.00464	6.8
151.03993	1.7
152.01169	7.5
153.01953	8.1
153.05595	1.7
154.02708	5.6
158.10243	1.4
164.04825	6.2
166.99817	2.8
167.03497	22.1
168.00667	83.1
168.04256	2.4
169.01440	6.7
169.05061	2.3
179.07108	3.5
182.02208	4.3
183.03001	5.5
191.05597	1.8
197.04597	4.8
209.04434	1.4
236.65395	1.3
256.69464	1.4
269.06696	1.6
289.96179	1.2
297.05988	2.4
311.07745	14.0
313.05563	3.0
315.07211	2.0
319.11902	37.3
320.12228	3.0
327.07318	4.3
331.06757	8.8
341.08813	10.8
463.09003	3.7
481.09274	100.0
482.09686	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	481.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.0
59.01372	1.1
61.76120	0.6
69.11639	4.6
71.01376	2.0
72.49003	0.6
81.03452	6.9
83.01399	3.6
95.05009	1.3
97.02988	0.9
99.04575	0.8
107.01399	4.2
107.05047	0.7
119.81494	0.7
123.00907	4.2
123.04534	38.5
124.01611	0.8
125.02458	38.7
126.02714	0.8
137.02464	1.2
139.00430	1.6
140.01146	1.7
149.02429	0.8
151.00381	4.3
167.03505	89.2
168.00688	2.3
168.03827	2.3
169.01439	39.8
170.01814	1.6
175.00359	0.8
179.03508	0.9
181.05080	0.8
191.03529	6.7
209.04663	1.5
210.97746	0.7
211.02498	5.5
233.04474	1.0
241.03537	1.2
271.04608	4.5
313.05655	20.2
314.05978	0.9
439.09000	3.3
481.09912	100.0
482.10339	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	481.117
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45127	0.4
57.03439	1.1
59.01360	0.6
61.98834	0.6
67.84019	0.4
75.27837	0.4
78.95908	1.6
79.95750	5.6
96.96019	100.0
107.01382	0.5
109.02951	0.8
110.97622	1.0
121.02959	0.5
124.01717	0.7
125.02448	6.6
137.02441	0.8
151.00420	1.2
151.04010	0.6
152.01169	1.1
152.99591	1.4
159.04489	0.7
167.03493	0.5
178.99883	1.1
183.04631	0.6
211.04031	3.3
222.08600	0.4
231.54889	0.5
239.03539	0.9
240.04274	0.8
281.08276	1.5
300.99963	0.7
341.10385	0.7
356.12622	1.2
370.54236	0.5
435.10870	0.6
453.11798	1.4
481.11725	30.1
482.11835	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	481.1352
Annotation	CHEBI:67506
Peak:m/z	Relative Intensity
59.01381	1.0
63.28169	0.6
67.01908	0.9
69.03469	1.4
69.08217	3.6
69.08624	1.4
71.01396	2.2
72.66685	0.7
76.27746	0.6
77.84223	0.6
79.01906	0.9
83.01389	1.1
85.02949	1.4
91.01907	1.1
93.03462	1.2
95.01382	2.1
97.02974	1.8
98.21769	0.8
101.02445	1.0
107.01391	7.2
108.02193	2.5
109.02991	2.6
109.12270	0.6
111.00907	2.4
113.02442	1.3
116.92899	1.0
122.03767	5.9
123.00902	8.9
123.04543	3.9
124.01678	4.1
125.02460	79.9
126.02808	2.0
136.98811	1.2
137.02480	1.4
139.00374	5.0
139.04027	1.0
140.01154	1.9
141.01932	1.4
151.00357	4.8
151.04018	1.2
152.01181	3.2
153.01939	2.9
162.52396	0.7
163.03824	0.6
166.99840	1.3
167.03525	6.8
167.07144	57.8
168.00644	6.6
168.07501	2.4
169.01436	100.0
170.01772	2.2
183.02994	1.3
193.01489	0.6
197.04329	0.7
211.02472	3.3
241.03574	0.7
311.07700	1.0
313.05695	24.5
314.06049	1.6
319.08231	0.7
319.11819	1.2
331.06787	6.9
421.07623	1.6
463.21133	0.6
481.13306	54.0
482.14737	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	1.3
60.70875	0.7
60.99652	0.6
66.35678	0.7
67.01857	0.9
70.33147	2.1
71.01392	3.4
81.03410	0.8
83.01342	1.0
85.02930	1.6
91.01852	1.5
95.01368	1.5
101.02438	1.9
107.01349	2.3
108.02178	7.7
109.02386	0.6
109.02968	7.7
110.00125	6.4
111.00887	3.7
112.98891	0.7
113.02426	1.7
120.99670	17.8
121.02984	1.4
122.28278	0.9
123.00899	5.5
123.04549	6.5
124.01655	2.3
125.02460	11.1
127.34359	0.8
135.04585	0.8
137.02425	2.4
137.99615	9.0
139.00397	8.2
139.04039	8.5
140.01228	1.0
151.00426	3.4
151.04002	1.1
152.01164	11.6
153.01955	100.0
154.02769	7.8
155.03409	0.8
166.02765	1.6
167.03508	22.4
168.00604	2.6
168.04301	29.5
169.01405	4.7
169.05077	7.0
179.03499	1.0
181.05063	0.7
183.02983	4.9
183.14648	0.6
191.23212	0.6
197.04601	1.8
205.45303	0.6
214.91960	0.6
221.04700	0.7
281.06927	0.7
297.06204	12.6
297.09360	0.7
300.25754	0.6
311.07776	13.7
311.11041	0.9
312.08331	1.3
313.05984	2.5
315.07330	1.1
315.29456	0.8
329.14441	1.1
341.08862	4.1
345.89252	0.7
352.05597	0.7
373.46899	0.7
394.27921	0.8
437.10995	1.7
481.14230	40.8
482.14493	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	481.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.4
61.95041	0.6
67.71903	0.6
68.99815	0.6
69.54265	2.9
71.01378	5.1
73.02953	1.1
81.03463	1.0
83.01400	1.9
84.55243	0.6
85.02950	2.4
88.90749	0.8
91.01907	1.6
95.01386	2.5
96.99324	1.0
97.02988	0.7
98.00150	0.5
98.21722	0.7
99.00938	0.6
101.02459	2.2
107.01383	3.6
108.02187	2.0
109.02961	47.5
110.00124	1.8
111.00896	4.6
113.02437	2.2
120.99664	2.7
123.00902	5.2
123.04528	4.7
124.01680	5.6
125.02461	8.4
131.24136	0.6
135.00914	0.7
136.98865	0.8
137.02454	1.7
137.99609	1.8
139.00383	13.1
139.04034	2.2
149.02426	0.9
151.00392	1.7
151.04036	0.7
152.01169	5.0
152.12070	0.7
153.01952	100.0
153.05495	4.3
154.02744	13.0
167.03493	15.6
168.04282	23.8
169.01479	2.5
169.05116	5.6
171.77527	0.6
177.01961	1.1
182.02193	1.0
183.06694	2.4
189.01978	0.7
195.03036	1.7
197.04567	14.1
215.98587	0.7
217.01392	1.6
237.03928	0.9
260.30466	0.8
269.52866	0.6
296.05511	0.9
297.06180	33.4
298.06525	2.0
311.07724	16.0
312.08203	0.7
313.05624	1.0
341.09277	0.8
357.06393	1.5
481.13602	71.6
482.14072	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	481.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.3
59.01384	2.9
67.01882	1.5
68.99829	1.6
69.02351	8.4
69.03455	2.5
71.01380	8.5
73.02946	1.9
81.03499	1.3
82.93627	1.0
83.01399	5.2
85.02958	3.4
95.01392	8.3
97.02968	4.5
101.02449	3.5
105.56164	1.3
107.01395	5.1
108.02193	1.9
109.02966	3.7
111.00900	7.1
112.98837	1.8
113.02439	2.3
115.54818	1.0
121.02940	7.4
123.00896	100.0
123.04540	6.0
124.01680	57.9
125.02463	46.5
125.99594	1.4
127.00359	6.0
136.98831	3.9
137.02460	10.9
137.99660	2.0
138.03239	31.9
139.00383	9.4
139.04027	27.9
141.01962	1.8
149.02498	2.2
149.99593	37.0
151.00336	5.3
152.01176	3.8
153.01976	7.2
153.05580	6.7
154.02754	5.1
155.03529	2.1
166.02759	1.9
166.99875	4.9
167.03502	17.4
168.00652	68.6
169.01489	7.5
169.05045	2.0
181.01462	6.1
181.05026	1.6
182.02226	14.5
183.02989	19.4
196.03731	1.2
197.02843	2.1
197.04550	25.3
198.04774	1.4
209.04546	1.5
239.05409	1.2
269.06689	2.2
296.05301	2.5
311.04443	1.9
311.07703	9.8
313.05804	2.7
326.06473	4.1
327.07196	16.3
331.06744	6.5
341.08801	40.5
342.09186	3.1
410.80521	1.2
463.08813	3.3
466.11252	3.2
481.09671	62.6
481.13876	55.5
482.10010	5.4
482.14426	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19559	2.9
59.01370	5.9
62.75383	2.5
64.84115	2.7
67.01850	3.7
68.99817	3.0
69.78949	3.4
69.79294	11.6
71.01395	17.2
72.99287	3.1
73.02941	3.6
74.44688	2.9
81.03443	4.2
83.01376	12.5
85.02948	6.5
93.03441	4.2
95.01383	10.7
95.37561	2.6
97.02968	4.8
101.02438	11.4
107.01394	10.7
108.02192	16.5
109.02961	12.4
110.00105	6.5
111.00944	14.4
111.01573	3.3
113.02444	5.6
120.99671	30.8
121.02968	6.6
123.00908	69.8
123.04530	23.4
124.01669	50.4
125.02463	51.8
125.99509	2.6
136.98764	4.8
137.02470	17.2
137.99629	6.1
138.03273	15.2
139.00391	52.6
139.04041	25.2
140.01120	4.1
149.99594	24.1
151.00368	14.4
151.04045	3.2
151.96693	3.2
152.01137	22.0
153.01952	67.2
153.05516	4.6
154.02750	53.5
155.03490	10.1
156.27112	2.6
161.06310	2.6
163.04143	2.8
166.02730	6.0
167.03505	73.5
168.00653	60.0
168.04277	13.9
169.01413	14.3
169.03972	3.2
169.05099	37.4
170.05528	3.6
176.60750	2.8
181.01453	4.6
182.02199	10.7
183.02994	9.6
197.04558	21.5
202.75456	2.8
253.37341	2.8
256.51285	3.1
296.05777	3.1
297.06281	13.0
311.07745	93.7
312.08105	3.8
327.07019	7.4
341.08765	35.0
349.20624	3.1
368.68945	3.0
429.02679	2.9
481.09094	33.8
481.14679	100.0
482.09692	5.8
482.14398	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	481.154
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08786	0.7
59.01390	2.0
65.00339	1.1
67.01924	1.0
69.22844	3.1
69.23247	2.2
71.01388	3.1
81.03465	1.4
83.01398	1.3
97.02983	1.0
98.21765	1.7
103.00228	0.9
107.01405	3.1
108.02198	2.7
109.02940	4.8
110.00111	2.3
110.64809	1.1
111.00909	2.3
119.05034	0.9
120.99672	100.0
123.00893	4.3
123.04534	7.8
124.01701	1.8
125.02451	13.5
137.02498	2.1
137.99593	3.1
139.00374	6.6
139.04037	1.9
151.00415	3.0
152.01192	4.6
153.01959	35.3
154.02652	3.2
155.03522	0.9
160.58376	0.8
167.03513	22.8
168.00581	0.8
168.04297	9.5
169.01454	16.1
169.05040	2.5
181.01482	4.4
182.99371	1.9
183.02969	6.8
209.04506	1.7
211.02567	1.9
229.01418	1.1
258.01566	0.8
269.08411	1.3
271.04672	1.4
275.02051	2.2
297.06253	3.3
299.09131	2.0
300.99973	4.3
303.08862	1.1
304.47049	0.8
311.07458	4.5
313.05713	9.2
314.11575	2.3
326.11673	1.4
329.13943	4.0
341.13986	2.9
345.08282	1.6
439.08774	2.9
481.08853	21.9
481.14450	4.5
482.10239	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	481.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.6
61.98837	17.4
69.08746	5.6
69.09156	3.0
71.01385	4.0
73.02944	1.1
74.99104	1.4
83.01389	1.8
85.02971	2.3
89.02471	2.8
95.01379	1.3
96.51154	1.0
99.00886	1.5
101.02438	3.2
108.02179	2.3
109.02969	3.0
113.02454	1.6
120.99664	100.0
123.00893	3.1
123.04531	1.4
124.01675	3.4
125.02444	3.3
137.02460	1.7
139.00354	1.6
139.03996	1.6
149.06085	1.5
151.00424	1.7
151.03992	1.5
152.01154	1.9
153.01949	1.7
153.05585	6.2
157.06450	0.9
161.04591	2.0
169.01422	1.5
197.04591	10.1
244.01491	1.0
275.14990	1.7
275.64825	1.0
283.82309	1.1
319.11838	2.0
421.20773	3.9
481.17661	7.9
481.30914	2.2
482.17404	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.154
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04919	1.3
59.01374	5.8
61.98571	1.2
61.98839	13.3
69.01189	8.7
69.01604	3.1
69.59592	1.5
71.01375	4.0
73.02969	1.6
76.50681	1.5
79.08218	1.4
83.01386	1.8
89.02438	1.7
95.01414	1.7
98.21812	2.5
98.44738	1.2
101.02438	4.5
108.02161	2.1
109.02951	1.8
120.99663	100.0
121.02999	1.5
121.99992	1.9
123.00889	4.1
124.01647	5.7
125.02444	3.4
137.02437	3.8
148.32693	1.4
149.06104	3.4
153.01949	2.3
153.05602	7.1
161.04602	2.0
165.07733	1.2
168.00624	1.5
169.01430	3.7
187.90607	1.3
197.04579	11.8
217.01379	1.9
275.15030	1.4
282.13303	1.6
287.39291	1.6
319.11902	3.8
381.19986	1.6
402.50708	1.6
421.20718	3.0
481.17523	9.4
481.30914	2.1
483.45969	1.4
491.65585	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85783	0.6
57.03445	3.0
59.01376	1.8
59.50521	0.6
65.28784	0.6
70.85088	0.8
71.01391	6.0
73.02953	1.7
81.03450	1.9
83.01360	1.1
85.02959	5.0
85.98054	0.8
95.01407	3.6
96.96001	1.0
101.02454	3.7
107.01407	0.9
108.02184	61.9
109.02969	49.9
110.03248	1.1
113.02435	4.1
120.99662	15.2
121.02997	1.3
123.00930	4.4
123.04531	2.3
124.01748	1.0
125.02473	3.4
133.02911	0.9
137.02438	1.0
139.00400	2.0
139.04030	1.9
151.00375	0.7
151.03970	0.9
152.01166	71.4
153.01961	21.8
161.04596	1.4
163.00331	0.8
163.04037	1.6
165.01915	1.7
166.99937	0.8
167.03506	4.1
169.01428	0.7
175.04071	0.7
177.01952	2.0
183.10286	1.6
189.01903	3.6
211.04225	1.1
217.01465	4.1
301.00104	1.5
315.07281	5.2
332.67822	0.9
341.06705	3.4
357.06345	4.3
481.17212	100.0
482.11737	0.6
482.17657	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	481.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01227	0.5
57.03447	1.4
57.78125	0.5
59.01377	1.0
61.98817	0.8
65.00336	0.6
66.28928	0.4
67.01911	0.5
69.03449	1.7
71.01385	3.9
73.02955	1.3
78.18887	0.4
79.95721	1.2
81.03455	2.0
83.01355	0.8
85.02954	5.6
93.03463	8.5
95.01390	4.9
96.96027	2.4
97.02927	0.5
99.00912	0.7
101.02440	1.9
108.02182	74.9
109.02967	49.3
110.03265	1.2
111.00861	0.9
113.02447	1.4
113.26952	0.5
120.99698	0.6
121.02946	0.8
123.00907	4.8
124.01669	2.0
124.94129	0.5
125.02447	3.4
133.02969	0.6
135.00954	0.6
135.04532	0.9
137.02457	11.8
139.00398	8.3
139.04041	2.3
139.11290	2.1
140.01144	4.3
151.04056	1.0
152.01164	68.5
153.01952	21.6
154.02301	0.6
161.04594	0.8
163.03990	1.4
164.98297	4.3
165.01997	0.9
167.03473	0.8
169.01489	0.7
182.99348	14.4
183.10275	2.8
184.00092	1.1
189.99280	0.6
190.01067	0.6
195.03033	0.8
198.01712	6.7
225.04048	0.8
229.96939	0.7
229.98911	1.3
300.99927	0.9
315.07220	2.8
343.06647	2.0
361.07944	3.4
439.93484	0.5
481.09909	15.0
481.17059	100.0
482.10123	1.9
482.17316	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	481.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.5
57.03441	2.5
58.00576	4.1
59.01382	100.0
61.98840	11.3
65.32111	1.4
68.29155	1.5
69.21935	8.1
71.01387	57.1
72.99308	5.2
73.02962	2.2
74.75783	1.4
81.03461	4.1
83.01383	4.3
85.02943	11.5
87.00877	2.9
89.02451	80.7
93.03448	6.7
95.01404	2.9
98.44271	1.3
99.00876	2.0
101.02445	31.6
107.01384	1.6
108.02184	1.7
109.02949	2.8
113.02466	22.8
115.34770	1.7
119.02678	2.4
119.03507	39.6
119.75674	1.7
120.99660	2.1
121.02969	32.7
123.00912	1.8
123.04554	17.8
125.02460	18.5
131.03491	2.7
135.04535	3.4
136.01720	1.8
137.02451	23.5
138.59482	1.5
139.04054	10.8
140.01239	1.6
143.03487	6.9
149.02473	9.2
149.04507	3.6
152.01144	2.1
153.01978	2.4
161.04561	8.8
164.04800	16.2
167.03499	38.7
169.01427	15.0
179.05647	34.5
179.07140	6.2
179.73921	1.7
191.03445	3.6
211.02516	3.5
271.04669	2.4
288.55154	1.8
290.97986	1.6
301.10852	4.0
313.05814	10.1
481.09906	39.0
481.17114	71.7
482.09888	4.4
482.17355	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	481.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08036	1.1
59.01382	6.8
63.27193	1.0
65.14978	1.1
65.44968	1.0
69.50967	5.3
71.01392	5.4
73.02928	1.2
85.02959	2.3
86.84420	1.2
89.02459	4.9
93.03461	12.0
96.96039	1.3
98.95589	1.7
101.02464	3.9
101.90865	1.0
106.48248	1.2
108.02192	2.5
109.02977	6.1
111.00891	4.8
113.02450	2.5
119.03572	1.3
120.99671	5.1
121.02943	12.0
123.00894	1.5
123.04550	4.3
125.02468	3.9
135.00839	1.3
135.04562	3.8
137.02457	62.2
138.03253	26.6
139.00363	5.0
139.04025	100.0
140.01147	3.8
140.04372	3.6
145.03009	1.3
148.05324	35.4
149.02469	7.1
150.03166	1.2
151.00516	1.1
153.01932	2.4
160.18315	1.1
161.04646	1.4
161.06116	1.2
163.04018	1.3
163.07655	43.6
164.04791	11.6
164.08026	2.2
164.98363	2.2
165.01967	2.3
165.05507	2.5
167.03525	3.8
169.01488	5.9
175.92850	1.0
179.05818	1.3
179.07184	4.9
181.08737	1.3
182.99391	6.3
185.11856	11.5
195.06650	5.3
196.11057	1.1
198.01704	3.1
220.95398	1.1
244.07274	1.1
283.09796	4.6
289.36426	1.1
300.99725	1.9
301.10889	23.9
302.11072	2.4
303.00919	1.0
303.08847	3.0
313.05731	2.4
313.11386	1.2
318.10934	2.7
319.11703	6.3
397.71741	1.3
481.09863	13.5
481.16415	1.9
482.10242	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	0.6
59.01374	1.8
61.98830	1.0
67.01884	1.3
69.06843	2.6
69.07259	1.4
71.01389	5.1
72.86500	0.5
73.02960	1.1
78.95913	0.8
79.22182	0.5
81.03502	0.7
81.41981	0.5
83.01402	2.2
85.02956	3.9
94.38327	0.6
95.01402	3.0
96.96033	1.0
97.02960	1.2
98.21713	1.0
99.00895	1.5
101.02477	2.2
103.44189	0.5
107.05047	0.6
107.08670	0.8
108.02182	4.1
109.02962	6.2
110.00119	1.0
111.00893	2.7
113.02483	2.6
115.21217	0.6
116.37336	0.5
121.02939	1.2
123.00899	45.8
123.04539	1.8
124.01677	100.0
125.02504	10.8
135.04539	0.6
135.08183	1.4
137.02466	2.4
137.99602	1.2
138.03267	3.8
139.00473	3.2
139.04030	97.5
140.04375	2.8
143.49236	0.5
151.04129	0.7
152.01195	4.5
152.99631	0.7
153.01950	3.5
153.05629	1.1
153.09232	18.7
159.08179	0.6
161.04585	2.4
161.06055	1.1
166.02731	0.6
167.03462	1.0
177.09189	1.5
179.07030	0.6
181.05084	0.7
191.73470	0.5
195.10359	0.6
197.08224	1.2
221.08183	1.2
239.09183	0.5
275.02213	0.7
283.08084	0.7
297.13483	1.5
300.99957	0.9
315.06836	0.6
341.12335	1.0
359.05447	1.1
371.05600	0.7
393.58777	0.6
427.08441	0.6
427.58658	0.6
459.12491	0.6
463.16129	2.7
481.09933	2.2
481.17172	23.7
481.27625	1.2
482.17490	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	481.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89266	0.8
59.01380	0.8
59.10177	0.8
61.58212	0.6
61.98839	1.2
65.03971	0.8
69.03973	6.1
71.01369	0.8
78.24908	0.7
78.95911	2.0
82.42268	0.7
93.03468	60.5
94.03844	1.1
109.02914	0.8
125.02458	2.2
137.02457	100.0
138.02823	2.2
152.99605	1.8
155.10773	1.2
162.58159	0.7
169.01419	1.2
199.09761	2.4
203.99487	0.6
211.03967	1.0
239.07521	0.8
240.04417	1.0
287.81577	0.7
288.68900	0.8
291.53613	0.7
301.00015	0.8
334.70215	0.8
335.56653	0.8
343.13785	0.9
481.09714	1.5
481.16574	1.3
509.12631	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2081
Annotation	Excavatolide M
Peak:m/z	Relative Intensity
55.42318	0.7
57.00096	0.8
57.03455	1.1
57.95984	0.6
58.00586	1.0
59.01377	11.4
61.98830	6.2
63.21700	0.6
66.83471	0.6
71.01392	6.8
73.02937	3.9
79.78231	0.7
81.44685	0.8
83.01380	0.8
83.70293	0.8
85.02954	3.0
87.00904	0.7
87.04530	3.1
89.02455	5.4
97.94167	0.7
98.21714	1.3
101.02443	3.4
109.06639	0.8
113.02443	1.9
119.03530	2.1
119.05032	7.3
120.21260	0.7
125.02452	2.9
127.07667	0.9
135.08167	6.2
137.06093	3.5
137.09721	18.2
139.11282	0.8
153.01944	3.9
155.10789	82.8
156.11118	2.2
169.01404	2.9
169.12318	2.4
181.08733	5.0
198.12903	0.7
199.09767	22.8
200.10123	1.3
213.11302	1.8
241.10899	5.0
481.20862	100.0
482.21201	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	481.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	70.5
61.98825	7.3
66.40643	3.7
71.01389	53.9
71.05016	14.3
73.02941	15.4
83.01379	8.7
85.02955	17.8
87.00897	4.0
88.30384	3.3
89.02440	23.3
93.03441	3.8
97.02953	7.6
97.97937	3.5
98.21748	8.1
99.00904	8.2
101.02448	40.5
108.02171	4.4
109.02976	3.5
111.00843	4.5
113.02455	16.0
114.26979	3.9
119.03520	4.7
120.99676	8.5
121.02946	5.0
123.04533	8.1
125.02470	7.0
131.03503	18.6
137.02425	7.3
139.04024	73.9
140.04384	26.0
141.04504	20.3
149.02391	5.2
149.04567	4.0
151.03989	5.2
153.01920	4.7
161.04558	13.1
164.04794	12.2
165.01912	10.9
166.02550	10.7
167.03526	8.0
168.03287	3.8
171.04530	3.4
176.04314	4.2
177.01938	8.4
178.02304	5.3
179.02350	4.2
179.07115	5.4
190.02869	3.9
191.03401	4.3
193.01512	8.7
194.01749	6.5
195.01930	4.9
257.07257	5.2
289.07104	5.4
289.16602	41.0
291.07828	3.9
299.05722	18.6
300.05948	13.4
301.06235	32.2
317.06683	14.4
318.06970	11.2
319.07120	25.0
385.79990	3.5
421.20807	100.0
422.21063	7.6
453.13208	7.7
463.11362	9.5
481.12210	60.6
482.12131	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	481.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	3.3
57.03434	4.7
59.01094	4.0
59.01383	74.3
61.98835	21.9
71.01386	43.2
72.99336	3.8
73.02956	21.1
81.26099	2.5
83.01385	17.8
85.02966	28.1
87.00887	5.6
89.02451	14.8
95.01382	6.7
99.00882	8.5
99.73933	2.6
101.02452	54.4
108.02180	21.1
109.02980	17.3
113.02464	24.4
119.03548	4.1
120.99657	16.3
123.00931	6.3
125.02466	11.5
137.02481	8.1
137.05894	2.8
139.00439	3.0
143.03532	5.1
151.00374	2.9
152.01151	17.5
153.01947	13.5
157.06628	6.5
159.03008	4.6
161.04602	18.3
169.01477	4.9
179.03424	3.0
179.07112	3.6
202.91582	2.8
275.15024	100.0
276.15390	4.6
315.07001	4.3
318.26440	3.0
421.20816	92.3
422.21222	7.3
450.10818	3.5
481.12997	11.7
481.17072	24.4
481.30878	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	481.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.9
57.03453	3.2
57.88504	1.4
58.00589	1.8
59.01380	68.2
61.98837	7.9
69.03460	1.7
71.01384	40.9
71.28271	1.8
72.99313	1.9
73.02947	17.4
74.99120	1.8
75.00876	2.7
81.03459	1.9
81.19814	1.7
82.05800	1.4
83.01399	10.8
85.02958	20.3
87.00877	2.9
89.02447	12.1
90.95477	1.5
93.03469	5.4
95.01424	4.9
95.04964	1.4
99.00909	7.9
101.02452	36.2
103.04033	1.8
107.01350	2.8
107.27135	1.4
108.02229	2.9
109.02939	3.2
111.00909	8.5
113.02448	16.2
119.03527	4.9
119.05087	1.5
120.99683	7.5
121.02995	2.1
123.00922	4.8
123.04499	6.4
124.01721	4.6
125.02445	13.7
129.01953	2.2
135.04492	2.3
136.99187	1.5
137.02451	16.0
137.06067	2.9
139.00415	3.9
139.04013	8.5
142.73558	1.8
149.02435	2.6
151.00389	2.0
151.04030	3.6
152.01144	3.3
153.01932	2.4
155.10828	3.6
159.02971	3.2
159.72809	1.4
161.04570	15.7
161.05798	2.6
163.04066	2.5
165.05602	2.3
167.03519	7.6
168.00618	4.4
169.01450	7.0
173.92200	1.7
179.03546	3.8
180.04230	1.8
192.35994	1.6
201.11336	1.9
209.04594	6.9
211.02501	2.7
227.67139	1.7
239.05612	6.2
259.99530	1.9
271.04645	6.3
275.15027	63.2
276.15430	3.3
283.04953	1.6
300.99817	3.3
301.10892	2.7
303.01511	2.4
315.16476	2.0
318.03918	2.6
341.08899	2.8
421.20834	100.0
422.21063	6.5
434.11752	2.5
435.26016	3.8
449.03818	2.0
481.11655	6.7
481.16757	9.5
481.22104	7.2
482.22150	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	481.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
61.32582	2.6
69.28165	12.1
69.28596	6.0
78.95905	38.9
96.96941	3.0
116.65607	3.0
125.09768	2.5
152.26656	2.4
152.99615	49.1
169.10204	2.6
171.00705	12.5
187.72984	2.4
241.86449	2.8
245.04317	100.0
252.18408	3.1
253.21725	58.0
254.21985	4.0
266.42227	2.6
407.25797	2.6
427.74487	3.9
435.29044	2.7
437.30530	9.1
479.09274	2.6
481.24631	19.0
481.32071	5.8
482.25989	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	481.2963
Annotation	Coronalolide
Peak:m/z	Relative Intensity
69.08984	4.9
69.09406	4.6
96.96031	4.8
97.98753	1.1
98.22552	2.5
125.02467	1.9
152.99542	1.7
168.00670	2.0
200.54765	1.3
210.61491	1.5
220.67693	1.2
313.00052	1.6
319.22781	20.4
320.23117	1.9
328.02328	1.6
377.24823	4.7
397.01639	1.3
407.29568	100.0
408.30008	10.2
423.93967	1.5
429.12131	1.4
437.30701	49.9
438.30765	6.0
481.25177	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	481.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
68.97295	6.2
68.97702	2.5
76.94593	0.9
96.08588	0.9
97.52411	0.9
98.22539	2.0
111.89457	0.9
131.06346	1.1
180.13789	1.0
216.46712	0.8
225.78131	0.9
305.00162	1.1
309.18579	2.6
310.19421	1.2
337.21725	11.2
338.22119	1.8
352.24063	15.8
353.24524	1.9
393.27933	2.1
408.30139	4.2
409.31140	100.0
410.31436	10.7
481.33255	14.4
482.33322	2.6
504.64407	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.0414
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10739	3.5
54.41896	3.7
57.68934	3.7
59.01381	25.0
61.09600	3.5
61.98825	6.1
64.91503	4.0
67.64546	3.7
69.13532	23.1
71.01373	14.2
71.05037	5.7
74.99097	6.0
79.05481	3.3
85.02927	5.7
89.02457	18.1
95.01389	10.6
95.05048	5.7
97.02982	10.9
101.02448	12.7
107.01396	16.6
108.02188	6.5
109.02962	12.0
110.03289	3.8
111.00954	5.4
112.71237	3.6
113.02444	8.5
116.70441	3.3
119.03517	3.9
121.06616	7.9
123.00919	22.1
123.01666	3.7
123.04512	8.5
125.02460	72.7
125.04154	3.2
126.02757	5.6
136.98947	4.5
137.02438	6.2
138.01959	6.2
139.00380	11.8
139.04027	26.0
140.01128	4.8
140.04373	10.2
145.02951	11.6
149.02521	4.4
149.04526	10.1
151.00337	5.8
151.04033	4.9
152.01187	6.0
153.01932	9.4
154.02377	3.8
156.34456	3.6
157.02954	6.1
159.04503	5.6
161.02429	10.3
163.04030	6.7
165.01926	11.4
165.05565	33.0
166.02232	3.8
166.99791	7.1
168.00580	3.5
169.01424	59.3
169.02875	6.2
173.02415	9.5
175.04076	8.1
177.01834	5.4
183.02998	4.7
184.03268	4.1
185.02505	5.6
189.01909	8.8
190.02585	7.9
191.03476	10.8
194.99266	5.7
195.06552	8.1
199.04002	5.3
200.01352	4.8
201.01907	13.8
203.03568	19.1
205.01485	5.0
213.01993	4.7
216.00584	5.1
217.01375	16.1
217.51300	3.7
218.02171	3.6
219.02943	6.7
229.01418	33.3
230.01904	5.8
231.02979	14.2
242.02022	4.2
242.99277	5.6
243.02963	6.3
243.99962	4.7
245.00903	12.1
247.02504	12.8
249.04045	14.9
255.03154	4.5
257.00903	26.0
258.01627	10.8
259.02246	7.8
259.99557	5.7
267.06458	4.9
268.07312	13.1
269.00922	4.1
269.07721	12.0
271.02350	9.6
271.99710	4.1
273.00418	10.9
274.01248	12.6
275.01990	100.0
276.02356	14.2
283.09729	11.0
284.10123	5.2
285.00409	16.9
298.98553	4.8
299.99103	13.4
300.99924	70.5
301.10788	22.3
302.00150	11.3
302.11172	19.1
315.01486	7.7
331.00742	5.5
345.08289	5.2
346.08557	10.1
368.02692	8.9
438.11450	4.6
444.03671	4.8
462.89963	3.9
482.03680	6.5
482.09808	6.3
483.11417	7.6
483.20764	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	482.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.4
61.98827	3.1
62.35933	0.4
63.49530	0.4
67.01880	0.5
68.66803	0.5
69.03458	1.7
71.01370	1.8
72.13488	0.5
73.02902	0.7
76.25273	0.5
79.01895	0.7
81.03452	0.6
83.01373	0.6
85.02935	0.6
87.00891	0.6
89.02443	0.7
95.01401	1.2
96.54739	0.5
96.96010	1.0
97.02957	1.5
101.02429	1.1
103.92046	0.4
107.01387	5.1
109.02950	0.6
111.00903	0.9
111.28735	0.4
113.02430	0.6
123.00916	3.1
123.04554	0.7
124.01659	0.9
125.02455	60.9
126.02785	1.1
136.99036	0.5
137.02486	0.8
139.00377	2.0
139.04099	0.6
140.01181	1.6
141.01971	0.6
151.00403	1.5
153.01974	1.1
154.02684	0.8
155.03436	0.6
167.00037	0.5
168.00644	2.1
169.01434	100.0
170.01764	3.3
211.02490	2.5
229.01465	0.6
249.25710	0.5
252.51602	0.5
257.00787	0.5
258.01715	0.6
271.04642	1.5
274.01132	0.4
275.01978	2.1
276.02393	0.7
287.07733	0.6
300.99872	1.9
302.00327	1.5
313.05591	3.1
331.06934	2.4
367.58298	0.6
419.11993	0.8
438.11127	1.1
439.08875	0.9
448.52069	0.5
464.12149	0.8
483.07495	3.5
483.11615	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	482.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10174	0.8
57.03434	0.9
59.01385	9.0
61.98823	2.8
69.03465	1.0
69.76261	4.3
71.01392	5.0
74.99095	1.1
79.95744	69.5
83.08191	0.8
85.02946	1.1
87.00892	1.1
89.02448	2.9
95.01385	2.5
95.95239	38.9
96.96020	100.0
97.02966	1.0
98.22521	1.0
101.02455	3.1
107.01395	5.2
111.00899	3.8
113.02480	3.2
114.02737	1.1
123.00935	7.8
124.01662	2.6
125.02461	41.1
135.98166	0.9
136.98843	1.3
137.02499	1.2
139.00388	8.5
140.01183	4.6
141.02046	1.1
141.95769	2.8
151.00381	2.6
151.03987	1.3
152.01236	1.3
153.01929	1.8
154.02739	2.9
155.03522	1.2
161.02501	1.6
161.04501	1.1
163.00729	1.6
164.01363	1.4
165.01926	1.1
166.99748	1.1
167.03506	1.3
168.00639	7.6
169.01445	49.4
169.05077	1.6
177.02252	5.4
181.01404	1.9
183.02980	1.6
193.01430	4.0
201.01978	1.2
202.01830	1.9
211.02475	13.6
217.01463	1.1
224.12936	4.0
229.01428	1.6
241.03612	1.0
244.06500	15.3
258.08249	1.5
271.04620	9.1
275.02002	5.0
285.33078	0.9
300.99911	4.2
301.09256	1.6
302.00333	1.7
302.07196	0.9
304.08621	27.4
305.08975	1.7
313.05673	5.8
331.06693	2.5
423.05667	10.6
482.13376	70.7
483.07697	20.4
483.12521	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	482.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
64.30854	3.4
75.27351	3.3
94.71201	4.0
313.91006	4.0
421.31595	5.6
436.29160	6.0
437.30713	9.1
439.32159	48.2
449.30634	11.0
482.30200	13.3
483.31171	100.0
497.98291	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	483.0785
Annotation	1-O,6-O-Digalloyl-beta-D-glucose
Peak:m/z	Relative Intensity
51.06862	0.8
57.03426	0.7
59.01370	2.2
67.01907	0.9
68.44126	0.6
69.03455	1.9
70.77190	1.2
71.01395	4.3
73.02963	1.8
76.86966	0.7
79.01904	0.9
83.01372	1.6
85.02944	1.9
95.01398	3.0
97.02976	3.2
101.02457	3.2
107.01388	9.4
109.02967	1.1
110.00138	0.9
111.00891	5.1
113.02479	1.0
123.00890	12.1
123.04545	0.9
124.01672	3.9
125.02452	82.7
126.02781	2.1
127.00333	1.4
136.85043	0.9
136.98811	3.1
137.02463	3.1
138.03206	1.0
139.00389	13.5
139.04008	2.4
140.01176	9.4
141.01921	2.1
149.02419	1.3
151.00381	6.9
151.03970	1.9
151.58046	0.8
153.01920	2.7
154.02707	5.0
155.03511	2.6
165.01927	2.2
166.99831	1.9
167.03526	2.6
168.00624	16.9
169.01430	100.0
169.05141	3.7
170.01758	2.5
171.56834	0.8
177.01924	2.1
179.03464	1.2
181.01407	2.6
183.03030	4.8
191.03543	0.9
193.01443	9.2
211.02478	33.8
212.02718	1.4
235.02457	1.4
241.03485	2.7
253.03667	1.3
271.04581	21.4
297.06174	1.4
305.06705	3.5
313.05624	10.8
327.07135	1.1
331.06732	4.8
405.04349	1.2
423.05698	32.8
424.06003	1.8
439.08701	1.1
483.07761	48.7
483.12128	18.0
484.08197	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	483.0784
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01422	1.1
65.00363	0.8
67.01921	0.9
69.60062	4.0
71.01449	2.8
79.01970	1.6
81.03526	1.2
83.01458	1.2
85.03015	1.3
89.02588	0.6
95.01472	2.3
97.03025	2.1
101.02512	1.9
101.51173	0.7
102.63950	0.7
107.01395	8.6
109.02960	0.8
111.00881	4.4
113.02486	1.6
113.07053	0.8
119.08276	0.7
119.37850	0.8
123.00878	9.9
124.01714	3.5
125.02455	87.8
126.02789	1.9
127.00371	1.8
136.98868	3.0
137.02504	2.6
138.03290	0.7
139.00381	11.0
139.04019	6.2
140.01186	8.3
141.01971	2.3
149.02412	0.9
151.00381	5.8
153.01915	1.9
154.02783	3.9
155.03450	1.4
161.02388	0.8
163.00456	0.8
165.01881	1.8
166.99931	1.1
167.03523	2.1
168.00653	14.7
169.01434	100.0
169.05054	9.3
170.01747	2.5
179.03577	1.2
181.01413	4.5
183.02940	3.5
193.01418	8.9
200.48805	0.7
207.02948	0.8
211.02484	33.8
235.02426	1.6
241.03331	3.1
253.03363	1.9
271.04611	20.4
272.04898	1.2
285.05917	1.3
287.07468	1.8
297.06024	0.9
300.99597	0.9
313.05716	9.0
331.06317	7.5
331.10162	3.1
405.04166	1.4
423.05719	32.8
424.05484	1.6
439.07938	2.9
440.08350	0.8
483.06943	67.7
484.07495	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	483.0784
Annotation	1-O,6-O-Digalloyl-beta-D-glucose
Peak:m/z	Relative Intensity
69.03477	1.4
70.74102	1.5
71.01395	2.2
95.01403	1.8
97.02938	2.1
101.02489	1.2
107.01389	6.7
111.00910	3.4
113.79129	1.0
123.00899	6.5
124.00844	1.0
124.01651	2.3
125.02461	98.3
126.02800	1.9
136.98795	1.6
137.02554	1.0
139.00398	4.1
139.04034	31.0
140.01210	3.1
142.33382	0.9
151.00371	4.8
153.01923	1.3
154.02711	1.7
167.69437	0.9
168.00635	9.2
169.01436	100.0
169.05072	48.7
170.01807	2.0
170.05458	1.7
179.16795	1.1
182.77254	1.2
183.03041	1.7
193.01445	4.4
211.02493	16.9
212.68539	1.1
241.03491	1.3
271.04575	17.6
287.07690	11.5
313.05667	16.8
331.06732	20.6
331.10464	13.0
332.07086	1.3
439.08835	28.2
440.08957	2.0
483.11380	33.9
484.11874	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	483.0785
Annotation	1-O,6-O-Digalloyl-beta-D-glucose
Peak:m/z	Relative Intensity
53.73193	1.2
58.07774	1.2
58.33563	1.2
59.01400	1.3
67.01888	2.4
69.03445	2.3
69.36541	6.3
69.46203	1.1
71.01396	5.8
73.02963	1.7
79.01893	3.1
83.01408	2.8
85.02963	2.1
86.54805	1.1
87.00893	1.5
95.01416	2.5
97.02949	4.6
98.22583	2.2
99.00906	1.4
101.02476	2.7
107.01395	13.9
110.00109	2.6
111.00866	7.4
123.00899	22.7
124.01675	22.9
125.02458	100.0
126.02789	3.6
136.98790	3.3
137.02432	2.6
139.00383	34.9
139.04037	3.5
140.01169	19.1
141.01955	4.8
149.99602	27.5
151.00404	11.7
153.01947	4.2
154.02734	22.0
155.03502	4.9
167.03513	1.8
167.99191	2.5
168.00656	63.3
169.01437	64.8
169.05034	8.9
170.01823	1.9
179.03619	1.2
183.03029	12.0
184.44879	1.2
194.99356	2.9
211.02539	1.4
285.06128	2.6
297.06354	3.4
313.05643	21.3
327.07208	6.1
331.06732	56.0
332.06967	1.9
334.59329	1.3
419.11664	1.2
439.08737	10.8
483.11383	94.4
484.07068	2.0
484.11670	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	483.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
58.79016	1.0
62.77999	1.2
62.94638	1.2
64.91190	1.0
67.01876	1.2
69.31941	5.1
69.76061	1.1
71.01382	2.6
72.99300	1.8
78.95924	5.0
95.01382	2.2
96.96017	11.9
96.96969	11.6
98.66265	1.0
101.02428	1.3
107.01403	7.0
111.00904	6.3
113.02380	1.3
123.00896	10.3
124.01653	3.2
125.02454	33.9
127.00356	1.5
136.98787	2.0
139.00385	27.2
140.01193	13.3
141.01970	2.8
150.99319	1.1
151.00357	5.5
153.01904	1.4
154.02727	17.8
155.03456	2.9
165.71794	1.3
168.00664	11.4
169.01430	38.0
169.05095	3.4
170.09431	1.0
183.02989	4.1
282.81567	1.0
297.06250	4.5
313.05701	13.9
327.07242	1.9
375.04169	1.1
375.53433	1.3
468.09003	3.4
483.11447	100.0
484.11996	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73338	0.8
52.46708	0.8
58.43426	0.7
59.01379	2.0
69.58223	1.6
69.58611	2.8
71.01367	2.9
94.86875	0.8
95.01395	1.2
97.02934	1.3
101.02465	1.3
107.01400	9.6
108.74678	0.8
109.02940	1.1
111.00884	3.1
113.02453	1.6
123.00880	6.5
124.01657	3.3
125.02458	100.0
126.02811	2.1
128.93825	0.8
136.98811	1.2
137.02425	2.1
138.03224	1.3
139.00400	7.1
139.04027	57.0
140.01135	3.5
140.04327	1.9
141.01955	1.5
150.99315	0.8
151.00377	5.1
153.01884	1.4
154.02710	2.5
168.00662	8.6
169.01439	95.9
169.05070	86.3
170.01750	2.8
170.05402	2.1
183.02968	1.5
193.01418	2.5
211.02446	10.0
212.02815	1.2
212.67249	0.9
227.91490	1.0
241.03508	2.1
247.58585	0.8
271.04535	11.5
287.07819	10.7
313.05704	20.5
314.05939	1.8
331.06631	21.4
331.10364	27.6
332.07019	1.3
332.10739	1.7
395.32428	1.1
416.75870	1.1
439.08823	21.8
440.08984	1.6
465.07019	1.2
483.12119	58.9
484.12375	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	483.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82034	0.5
55.01869	0.7
57.87827	0.5
59.01372	0.9
65.00320	0.8
67.01884	1.7
68.10162	0.6
69.03462	0.6
71.01385	3.4
73.48431	0.6
83.01392	1.3
83.75070	0.6
85.02958	1.7
86.95895	0.6
95.01382	1.2
97.02993	1.1
101.02437	1.3
107.01405	9.2
108.22138	0.6
110.00095	0.7
111.00883	6.6
113.02435	1.0
123.00883	6.6
124.01683	3.9
125.02457	43.1
126.02809	0.8
127.00394	2.4
136.98805	2.8
137.99666	0.8
139.00395	13.9
139.04016	1.2
140.01186	10.7
141.01958	1.1
151.00362	4.6
153.01935	9.0
154.02744	7.6
155.03453	3.0
162.10141	0.6
165.01907	0.7
167.03514	1.7
168.00653	11.3
168.04298	2.3
169.01439	50.3
169.05092	3.0
170.01823	1.1
183.02988	3.2
211.02502	1.5
223.02612	0.9
225.04091	0.7
241.03571	1.1
297.06180	6.9
313.05649	9.7
327.07297	2.5
362.48065	0.6
380.81537	0.7
451.08917	1.1
483.11484	100.0
484.11737	9.2
498.40192	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	483.1146
Annotation	AMINOPTERIN SODIUM
Peak:m/z	Relative Intensity
50.47562	1.1
59.01379	0.9
63.95410	0.9
67.01876	1.3
69.03452	1.0
69.60599	4.7
71.01392	4.7
79.01884	1.5
83.01392	1.2
85.02953	1.7
94.52106	0.8
95.01389	2.9
98.21812	0.9
107.01392	10.6
111.00876	6.1
123.00903	17.2
124.01637	2.8
125.02458	36.3
127.00327	1.0
133.88017	1.2
136.98811	3.6
138.90492	0.9
139.00383	34.0
139.04036	3.6
140.01160	15.5
141.01994	4.6
151.00372	8.2
151.27896	0.9
153.01956	4.6
154.02728	17.5
155.03546	6.0
168.00652	8.2
169.01440	39.2
169.05078	8.6
170.01735	1.3
182.02109	1.2
183.02962	11.3
225.04073	1.2
254.54965	1.1
285.06143	3.1
297.06262	2.2
298.73373	0.9
313.05612	7.9
327.07230	8.0
377.95108	1.0
379.63477	1.0
483.11459	100.0
484.11755	9.3
486.98434	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
58.48948	0.9
64.09930	0.9
69.03448	1.8
73.67635	0.8
79.21773	0.9
79.95743	100.0
80.96523	1.5
94.56843	1.0
96.96001	1.7
97.38686	1.0
99.92619	1.1
109.02974	1.1
135.04532	5.4
163.04022	67.8
164.04655	1.1
169.01392	1.0
178.06363	76.0
179.06961	2.9
193.08704	71.0
194.09189	2.8
225.05656	1.0
273.04425	4.5
348.03470	1.2
421.27512	1.5
423.07657	1.4
437.30533	4.3
483.13336	66.6
483.26715	6.0
483.31876	4.6
484.13785	4.1
484.31445	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	3.2
61.60598	1.0
71.01376	2.9
72.99307	1.4
74.99093	2.1
78.95905	36.2
79.72558	1.1
79.95728	3.0
85.02966	1.2
93.03441	1.1
95.01413	1.4
96.96009	100.0
96.96964	61.7
96.97610	2.4
97.02988	1.1
98.21821	3.4
107.01386	1.8
108.02157	2.3
111.00877	2.4
119.05016	2.2
120.99738	1.0
123.00887	3.8
125.02456	11.9
136.99025	2.8
138.92781	1.0
139.00369	8.1
139.03995	3.4
140.01172	4.1
148.54491	1.1
151.00302	1.6
152.01163	2.1
153.01892	2.3
154.02800	5.3
155.03493	1.8
163.04001	1.6
168.00661	5.6
169.01433	17.2
169.05052	1.7
213.65054	1.2
272.35117	1.2
275.01926	1.4
297.06281	1.7
300.99817	1.8
313.05649	4.2
416.45874	1.1
423.13229	2.2
483.11304	33.9
483.22495	3.8
484.11832	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	3.2
61.60598	1.0
71.01376	2.9
72.99307	1.4
74.99093	2.1
78.95905	36.2
79.72558	1.1
79.95728	3.0
85.02966	1.2
93.03441	1.1
95.01413	1.4
96.96009	100.0
96.96964	61.7
96.97610	2.4
97.02988	1.1
98.21821	3.4
107.01386	1.8
108.02157	2.3
111.00877	2.4
119.05016	2.2
120.99738	1.0
123.00887	3.8
125.02456	11.9
136.99025	2.8
138.92781	1.0
139.00369	8.1
139.03995	3.4
140.01172	4.1
148.54491	1.1
151.00302	1.6
152.01163	2.1
153.01892	2.3
154.02800	5.3
155.03493	1.8
163.04001	1.6
168.00661	5.6
169.01433	17.2
169.05052	1.7
213.65054	1.2
272.35117	1.2
275.01926	1.4
297.06281	1.7
300.99817	1.8
313.05649	4.2
416.45874	1.1
423.13229	2.2
483.11304	33.9
483.22495	3.8
484.11832	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1874
Annotation	Globulusin A
Peak:m/z	Relative Intensity
55.01867	0.6
57.03442	0.6
59.01386	2.5
67.01901	0.6
69.03479	0.4
69.16408	2.9
71.01382	5.8
72.99332	0.8
73.02944	2.3
74.99140	0.4
79.01900	0.7
82.95432	0.4
83.01398	1.7
85.02956	3.4
87.00889	0.8
89.02472	0.8
93.03461	0.6
95.01389	1.9
97.02921	0.8
99.00900	1.0
101.02441	4.0
103.75492	0.4
107.01400	2.4
109.02964	0.7
111.00905	2.3
113.02476	2.6
120.99647	0.6
123.00903	11.0
123.04529	0.6
124.01695	1.3
124.44859	0.4
124.73704	0.4
125.02460	14.6
127.00395	0.6
135.04547	0.8
136.34560	0.4
136.98853	1.8
137.02469	0.9
139.00404	4.1
140.01180	4.1
141.01933	1.9
151.00386	10.6
151.04047	0.6
153.01942	1.1
154.63126	0.4
161.04503	0.7
163.04039	0.9
165.05569	0.9
167.03455	0.5
168.00658	3.6
169.01431	19.3
170.01805	0.6
178.61707	0.4
179.03389	0.4
181.05125	0.7
195.01161	0.4
238.92346	0.5
247.08833	0.3
277.10745	0.4
303.70584	0.4
313.05573	1.9
321.03937	0.5
321.19156	0.8
483.18777	100.0
484.19125	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	483.1876
Annotation	Globulusin A
Peak:m/z	Relative Intensity
50.92990	0.8
53.56834	0.7
58.70633	0.7
59.01377	4.2
61.98830	1.2
69.09441	5.0
69.09837	1.1
69.68462	0.8
71.01390	3.8
72.99317	1.0
73.02946	1.4
74.99112	1.8
79.01912	0.9
83.01418	1.2
85.02954	2.4
89.02479	1.3
95.01430	1.7
97.02950	0.9
98.21812	1.6
101.02455	3.9
107.01406	3.3
108.02166	0.9
109.02973	1.0
111.00861	2.5
113.02445	1.1
120.99693	3.2
122.99265	2.3
123.00883	12.3
123.04536	0.6
124.01707	1.0
125.02467	12.8
127.00387	0.8
136.99054	1.4
137.02437	1.1
139.00365	3.9
140.01184	3.2
141.01953	1.2
141.53658	0.7
151.00369	10.6
152.01108	1.1
153.01926	2.1
161.04622	0.9
163.04021	1.0
168.00693	3.6
169.01442	19.1
179.03502	0.9
190.02702	0.8
193.56979	0.7
205.05003	1.1
211.02455	1.1
250.04987	0.8
260.38239	0.7
271.04721	1.0
298.98465	1.5
299.99066	2.6
300.99933	5.9
313.05847	1.0
321.13321	0.8
407.00616	1.1
450.99673	1.4
483.18811	100.0
484.19107	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	483.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.4
55.04014	0.3
57.03454	0.4
59.01381	2.5
65.00341	0.4
67.01868	0.9
67.57110	0.3
68.99821	0.3
69.03446	0.5
71.01391	3.8
72.99299	0.7
73.02947	1.2
79.01868	0.5
81.26566	0.3
83.01384	0.9
84.79392	0.3
85.02955	1.9
87.00896	0.4
89.02441	0.5
95.01385	1.6
95.09106	0.3
95.40811	0.3
96.36362	0.4
97.02953	0.6
101.02424	2.0
107.01399	2.7
109.02966	0.9
110.00111	0.4
111.00890	2.1
113.02438	1.2
123.00896	11.6
124.01656	1.2
125.02458	13.0
127.00373	0.6
136.98801	1.1
137.02455	0.6
139.00383	4.7
140.01181	2.1
141.01961	1.9
151.00375	11.1
153.01953	0.7
168.00652	3.7
169.01434	18.9
172.00320	0.3
181.05008	0.4
211.02528	0.4
253.03539	0.7
300.02737	1.3
301.03421	0.7
313.05688	1.8
355.28839	0.4
447.09396	1.0
483.18762	100.0
484.19098	9.4
484.26172	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.187
Annotation	Globulusin A
Peak:m/z	Relative Intensity
57.03434	3.0
57.67356	1.0
58.00603	2.2
59.01145	0.9
59.01386	11.8
61.98821	3.5
67.01907	1.2
69.03443	1.5
70.78642	2.2
71.01385	8.1
73.02943	3.9
79.01936	1.0
81.03420	1.5
83.01369	2.0
85.02960	7.0
87.00855	1.1
87.04525	14.9
95.01392	2.8
95.05012	2.4
97.02962	3.4
97.06570	1.4
98.03079	1.1
98.22452	1.0
101.02454	4.1
107.01419	1.1
108.02155	3.1
109.02950	2.8
111.00900	1.7
113.02469	3.2
123.00895	15.0
123.04545	14.8
123.82016	1.0
124.01672	75.4
125.02464	35.7
125.06112	2.1
130.69862	1.1
135.04456	1.5
135.08128	4.1
137.02496	2.0
137.09738	16.8
138.03207	1.9
138.10057	1.3
139.00368	1.1
139.04022	32.5
139.07648	3.2
139.11293	2.0
140.01199	1.0
149.09712	1.2
151.00372	1.8
151.03979	1.9
151.11263	1.6
152.01102	2.5
153.05594	16.8
155.10793	73.1
156.11143	2.2
163.07640	1.4
165.09099	1.1
167.03526	1.3
169.01385	3.1
169.12328	3.5
174.97217	1.2
177.09105	1.2
179.10825	5.8
181.08682	6.3
191.10779	4.0
195.10243	3.0
199.09772	42.8
200.10068	2.6
205.08688	1.7
213.11285	2.3
217.10579	1.0
223.09698	1.5
237.11284	1.3
241.10867	8.9
253.10889	2.8
255.12387	3.6
271.04782	1.6
283.11884	16.9
289.07199	2.0
343.13934	2.8
423.22241	1.1
483.18723	100.0
484.19327	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	483.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.8
55.79868	1.7
57.03434	4.7
58.00607	2.8
59.01383	32.8
61.98825	6.0
71.01383	19.3
73.02946	11.2
83.01397	4.0
85.02954	12.9
87.04515	11.3
89.02433	2.6
97.02947	3.7
99.00877	2.6
101.02458	13.0
108.02168	7.0
109.02955	5.0
111.00861	2.9
113.02443	8.0
121.02998	2.3
123.00903	36.6
123.04492	6.0
124.01684	61.6
125.02533	18.1
135.08145	2.7
137.09749	12.8
139.04030	36.9
139.07668	3.3
151.00378	4.8
152.01184	3.5
153.01941	6.3
153.05562	5.6
153.18051	2.2
155.10796	47.7
161.04588	5.0
168.00639	3.4
169.01450	5.6
169.12387	2.4
179.10840	4.3
181.08748	4.9
192.63385	2.2
195.10258	3.1
199.09781	40.9
213.11302	2.7
223.09727	2.9
226.64392	2.3
241.10899	11.0
253.10832	3.1
255.12360	5.0
270.93173	2.1
277.16589	21.9
283.11841	21.1
343.13611	2.2
423.22321	25.3
447.22433	7.1
483.18793	100.0
484.19073	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	483.1878
Annotation	Sachalinoside A
Peak:m/z	Relative Intensity
52.28884	0.4
59.01377	1.1
63.18443	0.6
66.23646	0.5
70.41628	1.7
71.01373	1.2
73.02960	0.7
77.44508	0.6
81.03445	1.5
84.65575	0.5
85.02951	1.4
93.03474	1.0
95.01392	1.5
101.02435	0.7
107.01437	0.6
107.05072	0.6
108.02183	89.2
109.02977	33.1
110.03304	0.9
116.80097	0.4
121.02966	0.8
123.00905	2.5
123.04523	0.9
125.02436	1.7
135.00963	0.6
137.02452	0.6
139.00366	1.4
140.01170	7.6
151.00444	1.0
151.04063	1.6
152.01161	59.8
152.72905	0.5
153.01958	19.0
155.03543	5.5
163.03931	1.2
165.01999	1.0
169.01431	1.7
185.11856	10.3
186.63138	0.6
275.09247	0.9
439.12283	0.7
457.61728	0.5
483.18735	100.0
484.12463	1.1
484.19064	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	483.2001
Annotation	Verrucarin J
Peak:m/z	Relative Intensity
57.03437	1.0
67.01884	0.7
68.57666	0.5
69.21308	4.2
73.56667	0.5
83.05027	0.8
86.13200	0.6
95.01395	2.0
109.02969	1.6
109.06596	1.9
111.00896	2.7
111.04522	9.7
113.09756	4.6
122.03772	0.8
126.04084	0.6
128.11058	0.7
137.06085	0.6
151.28094	0.6
153.01920	3.2
159.85608	0.6
162.06909	0.7
163.00388	1.6
163.04012	9.4
164.04715	1.6
165.05580	9.3
167.03601	0.6
175.00136	0.6
179.03529	1.9
179.07098	3.0
181.05089	100.0
181.08672	26.2
181.76590	0.5
182.05420	4.3
182.09100	1.2
183.06596	1.0
201.01671	1.4
203.03285	52.9
203.06767	3.8
204.03659	2.0
207.06645	2.8
214.04855	7.6
217.98294	1.3
223.05814	1.0
225.07747	2.4
229.04782	5.3
235.13394	8.4
236.03059	0.7
237.07452	4.9
247.05888	35.7
248.06316	1.7
265.03479	0.8
265.06894	2.3
267.04770	0.7
277.14560	1.1
281.03418	0.6
281.06418	2.5
291.04721	0.7
309.06082	1.8
395.01749	0.7
399.10501	0.6
421.31406	0.8
428.88315	0.6
437.30566	4.4
438.31476	0.7
439.32443	1.6
465.19208	3.3
465.29678	0.8
483.20148	30.4
483.31116	23.3
484.20560	4.2
484.31683	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	483.2028
Annotation	Verrucarin J
Peak:m/z	Relative Intensity
56.28287	0.5
60.76098	0.5
62.79515	0.6
64.52645	0.6
71.05034	0.6
79.01910	0.8
79.76612	0.5
85.06622	0.6
95.05009	0.9
97.02947	0.9
97.58117	0.6
101.85286	0.6
111.04527	17.3
119.04021	0.5
123.08170	4.9
139.04005	3.4
156.13959	0.6
165.09238	7.6
167.07140	1.7
191.06993	0.6
209.08200	25.4
210.08472	0.7
217.08688	1.3
227.07213	1.3
247.09709	0.7
271.13437	0.7
273.11374	4.1
275.12946	0.7
279.10278	0.9
287.13007	3.4
289.14520	2.5
297.11356	8.3
311.12936	0.9
315.12396	10.5
316.12753	0.9
325.10812	2.3
326.11215	0.8
327.16040	6.8
328.16428	0.8
353.10281	1.2
353.14047	1.2
369.17108	1.4
371.14941	3.9
381.13504	0.9
383.18558	1.1
395.22568	1.1
397.16583	1.0
439.21283	6.5
483.20279	100.0
484.20691	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	483.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16063	2.2
53.75203	1.9
54.61961	1.9
57.03457	3.7
59.01380	33.4
69.27254	16.0
71.01382	40.2
72.99305	3.5
73.02959	13.8
78.95878	3.0
81.85061	2.6
83.01391	8.0
85.02959	17.9
89.02436	8.2
91.52274	2.5
94.20836	2.4
95.01382	3.6
99.00900	9.8
101.02445	43.0
111.00906	2.7
113.02437	14.6
125.02492	3.8
152.99628	4.5
159.03021	3.6
161.04549	13.5
169.01424	4.7
201.09315	3.5
207.85660	2.3
250.35716	2.2
256.13522	2.4
262.66345	2.3
291.18140	100.0
292.18414	4.3
389.90619	2.4
423.22269	40.4
424.22821	2.7
447.22299	7.9
483.18817	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89653	0.6
55.01881	3.9
57.03430	2.2
57.33522	0.5
58.00583	0.7
59.01100	1.0
59.01381	17.2
69.03467	1.0
69.34291	3.1
71.01386	28.1
72.99306	1.8
73.02949	10.7
74.99097	1.1
75.00849	0.9
82.56727	0.5
82.95400	0.8
83.01385	7.8
85.02950	15.1
85.13941	0.6
86.00085	0.7
87.00893	3.0
89.02469	2.7
92.10987	0.5
95.01398	3.1
95.04967	0.5
96.95999	1.2
97.02952	1.2
99.00885	4.9
101.02445	24.8
102.02784	0.6
103.11990	0.6
111.00882	7.0
113.02461	10.5
119.03506	0.9
120.99666	0.8
123.04504	0.5
125.02444	2.2
125.09718	0.7
129.01929	1.2
136.99081	1.1
137.02415	1.5
141.01962	0.8
143.03479	0.6
146.77975	0.6
159.02995	3.7
161.04558	4.7
169.01443	1.0
187.09758	0.7
237.43600	0.5
237.91908	0.5
289.07193	0.6
321.19214	12.3
322.19812	0.9
403.65622	0.6
483.24496	100.0
484.24878	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	483.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73150	1.9
55.01882	3.4
57.03469	2.8
58.00586	2.5
59.01096	3.0
59.01385	42.9
61.57053	2.1
61.98843	3.8
68.79095	2.0
69.08550	18.0
71.01387	42.0
73.02953	19.2
83.01402	10.0
85.02948	20.1
89.02444	10.6
90.86868	1.9
94.45972	2.3
95.01401	3.6
97.03000	2.7
99.00900	5.6
101.02457	35.7
113.02476	16.9
123.00974	3.3
123.04568	3.8
125.02470	4.7
132.84755	2.0
137.02525	2.6
159.03001	2.0
161.04582	13.2
169.01401	2.6
231.74957	2.0
289.07202	8.2
291.18149	100.0
292.18582	5.8
293.98962	2.3
421.86374	2.0
423.22321	47.5
424.23203	3.2
428.26782	2.2
440.62109	2.5
483.17752	4.7
483.31372	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	483.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15229	1.1
51.21560	0.9
69.20804	2.5
69.21217	5.3
78.95907	9.6
98.21767	1.9
152.99593	13.8
226.39044	1.1
227.03165	1.3
237.29311	1.2
255.23315	100.0
256.23679	4.9
260.52127	1.0
302.34595	1.1
308.49405	1.0
320.42426	1.2
483.26852	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	483.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.8
60.99305	1.0
64.45459	0.7
69.03462	0.7
69.89137	2.3
79.95685	0.8
82.46253	0.8
83.05000	1.2
90.02498	0.6
96.95975	0.8
97.06549	1.9
122.03673	0.6
125.02386	1.2
136.05319	4.1
137.06085	1.3
149.06079	1.6
150.06801	1.0
151.03905	2.0
151.07658	19.7
152.04767	0.8
164.04771	1.2
168.04251	1.0
179.03456	2.7
181.04974	1.7
187.07544	2.1
194.05835	0.9
217.08714	3.4
219.10240	1.2
325.18045	1.8
333.20682	1.0
350.18881	0.7
353.17505	3.6
367.18887	1.7
391.22653	1.4
395.25430	0.8
399.18423	0.9
404.46841	0.7
406.24881	2.6
407.25708	1.6
409.23627	1.6
421.27652	4.2
423.24875	0.9
424.26004	2.2
448.53912	0.9
453.30090	1.2
468.25427	0.9
483.27325	100.0
484.27460	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	483.2758
Annotation	Biotin-XX hydrazide
Peak:m/z	Relative Intensity
53.50772	0.4
59.01370	0.4
60.99284	1.6
61.98812	0.6
69.08300	2.1
69.08705	0.8
71.04998	0.4
79.95731	1.2
83.05024	0.6
95.05034	0.7
97.06577	2.0
98.22565	0.7
116.92793	0.4
125.02477	1.0
126.75213	0.4
136.05316	4.7
137.02408	0.4
137.06071	0.6
138.03152	0.4
139.03912	0.4
149.06029	1.5
150.03236	0.5
150.06830	0.5
151.04015	2.6
151.07658	20.1
152.04773	0.9
153.05466	0.6
164.04779	1.1
165.01906	0.4
167.03485	0.5
168.04262	1.0
179.03514	2.3
179.07068	0.7
181.05022	1.2
187.07599	1.8
194.05795	1.3
199.07613	0.7
202.06209	0.5
205.08672	0.8
209.08182	1.0
217.08725	7.7
219.10150	1.2
325.18094	0.9
333.20645	0.5
339.19748	1.9
359.99493	0.4
373.21649	0.4
381.24078	0.5
391.22614	1.0
403.26221	0.9
405.24323	0.6
406.25150	2.1
407.26038	2.6
409.23837	0.5
421.27280	1.4
423.25528	1.9
424.25497	0.4
439.27982	0.6
465.26196	1.4
468.25076	0.7
483.27335	100.0
484.27719	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	483.3119
Annotation	Lantanoic acid
Peak:m/z	Relative Intensity
61.98844	3.9
69.53426	8.8
69.53829	4.9
91.87999	2.7
106.86299	2.9
121.06627	4.8
123.08175	5.4
138.30251	2.3
144.60207	2.4
149.09680	2.7
155.06979	2.5
171.20287	3.2
181.78503	2.8
284.45544	2.7
311.24023	9.9
339.23569	2.9
341.24921	30.8
407.29587	4.4
409.31235	13.6
439.32303	52.1
439.37973	3.1
440.32935	8.1
443.90332	3.0
483.31476	100.0
484.31680	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	483.312
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74693	0.4
65.57584	0.4
69.13726	2.6
77.16440	0.3
85.60386	0.4
93.35369	0.3
94.47306	0.4
97.02942	0.9
127.61751	0.3
135.08179	0.4
146.48889	0.4
176.79233	0.3
289.60211	0.4
303.18042	0.4
317.44250	0.5
323.23785	0.4
373.27518	0.9
393.27808	0.9
395.33496	0.8
409.31165	1.0
419.29156	0.6
421.31180	4.3
422.31403	0.5
437.30606	6.3
438.31189	0.8
439.32220	17.4
440.32513	1.7
465.29840	0.6
483.31201	100.0
484.31540	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	483.3118
Annotation	Lantanoic acid
Peak:m/z	Relative Intensity
55.01882	5.4
65.43236	0.4
69.97036	0.4
73.60015	0.4
80.67818	0.4
83.05019	0.6
104.64840	0.4
154.10718	0.4
365.28497	0.8
421.31067	1.5
437.30615	2.5
439.32217	8.1
440.32791	0.9
465.30130	2.1
483.31189	100.0
484.31494	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67805	0.5
52.16728	0.6
56.63598	0.4
57.03439	0.5
59.01377	0.5
69.03462	0.5
69.08302	2.5
71.05016	1.0
75.66706	0.5
83.05035	2.3
95.05045	1.1
97.06612	2.3
98.21674	0.8
105.35130	0.5
137.09743	2.0
165.09258	2.3
177.12944	0.7
187.11269	1.8
203.14462	0.9
205.12463	0.6
215.14276	0.5
219.28084	0.5
221.15408	2.7
302.48068	0.6
311.23276	0.5
341.15414	0.5
383.25873	2.2
389.24811	0.8
405.28143	1.0
419.29510	0.9
421.31329	4.0
423.29312	0.6
435.29224	0.6
437.30643	10.0
438.30887	1.0
439.32263	3.9
440.32864	0.5
453.30057	0.6
471.31259	4.6
483.31226	100.0
484.31488	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	483.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08106	1.2
52.81558	1.1
54.24940	1.1
57.03448	4.8
69.03452	1.2
78.95474	1.2
78.95923	5.6
83.78399	1.3
86.27141	1.2
95.05065	1.3
97.06596	15.9
98.21782	2.2
123.08189	8.2
125.09729	79.0
126.10086	2.9
145.87531	1.1
152.99605	8.5
169.08725	1.5
181.59856	1.1
187.09760	27.7
227.03348	2.8
245.04347	1.7
255.23312	66.3
256.23761	3.8
291.20251	1.2
295.22726	2.1
313.23904	23.2
439.32242	4.0
465.31860	2.8
483.33292	100.0
484.33771	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	483.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09636	1.0
57.03453	4.6
63.14177	1.0
75.39384	1.0
82.03544	1.0
97.06593	13.6
98.22540	2.7
112.68752	1.1
123.08176	7.2
125.09737	72.6
126.10176	1.5
139.08623	1.3
169.08725	1.9
171.10281	1.4
185.03436	1.2
187.09776	25.5
255.23334	1.5
295.22891	3.1
313.23862	20.8
313.27148	2.1
314.24405	1.8
365.28458	1.3
366.13321	1.1
409.30869	2.5
421.31052	12.8
422.31509	1.6
439.32492	5.1
453.30405	1.8
465.30322	5.7
483.33121	100.0
484.33466	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3484
Annotation	Regelin
Peak:m/z	Relative Intensity
70.44975	0.8
80.45231	0.7
83.20168	0.7
85.16606	0.7
89.41893	0.8
103.56020	0.8
112.35403	0.7
125.84763	0.6
153.38840	0.8
162.99008	0.7
284.91150	0.8
437.34723	1.3
483.34839	100.0
484.35251	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	483.3483
Annotation	Lamesticumin E
Peak:m/z	Relative Intensity
50.60531	0.9
56.35946	0.8
57.47163	0.8
69.06433	4.4
69.06837	1.9
72.03591	0.9
78.95910	2.9
91.17812	0.8
97.06599	6.3
111.76614	0.8
146.04720	0.9
152.99608	4.3
177.14560	0.8
193.80428	1.1
250.66833	0.8
255.23279	7.0
255.59267	0.9
262.57056	0.8
389.28369	2.3
405.31653	8.2
406.31909	1.3
407.33255	4.1
429.78699	0.8
439.32040	3.7
451.32190	100.0
452.32452	12.0
483.34470	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	483.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30025	1.9
51.87743	2.1
59.01381	2.7
64.63799	2.0
76.62788	2.1
129.12511	2.2
148.56490	2.1
265.25430	3.3
483.34863	100.0
484.35104	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	484.016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07781	1.2
54.37835	1.5
58.00602	1.9
59.01371	2.3
67.89778	1.3
69.03478	2.0
70.24794	1.3
70.71757	3.1
71.01375	14.5
71.03188	1.4
72.04564	1.2
72.99314	3.3
83.01383	1.4
87.00901	1.3
87.92538	39.0
90.94904	1.7
99.63081	1.3
100.04039	2.2
103.92043	34.3
104.92814	29.0
105.93604	4.3
114.94864	4.3
123.94665	7.1
125.02460	11.3
126.02789	3.1
130.94382	7.2
142.05110	1.4
143.73483	1.4
156.95924	1.8
158.93816	3.6
160.95476	1.7
169.01392	5.4
169.05052	1.6
170.01738	4.0
171.94658	100.0
172.95204	4.5
184.95456	3.1
185.96236	1.6
197.96312	1.7
199.94135	1.6
201.92181	3.3
201.95712	35.4
201.97589	2.2
213.95715	2.2
214.96498	3.1
216.97964	3.2
225.24832	1.2
225.95805	1.7
231.96944	3.0
234.99046	1.5
249.97806	6.0
255.96831	1.8
257.98297	23.8
258.98718	2.2
271.96298	1.5
273.97797	5.8
274.98410	2.9
282.45969	1.4
286.90613	1.4
287.99402	5.8
306.00452	5.8
313.05942	1.9
321.99969	6.2
386.85779	1.3
395.98691	2.5
396.03638	37.8
410.01730	2.7
412.03149	9.8
427.01709	2.3
484.01263	3.1
484.12064	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	484.11
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.4
61.33360	0.5
61.98835	100.0
68.72836	0.5
71.01402	1.6
83.01409	0.5
85.02959	0.7
93.03509	0.8
95.37622	0.6
99.04463	0.7
101.02455	1.0
107.01414	0.7
109.02980	0.9
111.00929	0.9
113.02472	1.0
113.99595	0.7
116.58190	0.6
121.03093	0.6
123.00933	2.0
125.02432	2.5
137.02495	1.4
139.00418	0.7
141.46812	0.5
144.09425	0.5
151.00400	1.1
152.01173	0.6
153.91367	0.6
168.00667	1.0
169.01410	2.6
185.67842	0.7
200.39661	0.8
211.02660	0.8
271.04745	0.8
304.15573	0.7
425.20328	0.6
485.15771	1.0
485.21451	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	484.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05415	0.4
59.01389	0.7
61.98834	100.0
70.57738	1.1
89.02511	0.5
108.02206	0.4
123.00908	1.0
123.04562	0.7
125.02452	1.2
142.08925	0.4
152.01138	0.6
169.01485	1.4
170.01820	0.6
193.08760	1.1
242.89923	0.4
300.89520	0.4
484.19058	7.9
485.20135	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
63.92942	50.5
98.22624	100.0
114.39925	50.1
129.83696	68.4
135.79193	54.8
141.24214	57.7
181.61447	58.0
182.42667	56.2
194.46175	56.7
211.94293	53.5
256.60635	52.0
275.38501	57.5
373.36716	53.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.9
67.17760	0.5
70.32388	1.2
71.01379	0.6
71.18347	0.5
71.75065	0.5
73.97634	0.4
78.95918	1.1
79.95744	28.6
80.96506	0.9
95.95241	11.9
95.95835	0.7
96.96018	100.0
98.21863	0.5
109.02959	0.9
110.97585	6.4
115.49071	0.4
123.04528	0.7
124.01648	0.4
125.02460	0.7
137.02461	0.9
141.95847	1.0
151.04057	0.5
152.01089	0.6
155.24220	0.4
163.03940	0.5
166.02739	0.5
167.00203	2.5
167.03470	1.4
177.01964	0.6
177.05537	0.8
259.02710	2.2
300.95029	0.4
312.10007	0.6
327.12701	0.7
375.10776	1.1
387.16696	1.6
399.07324	0.7
403.86615	0.4
425.11298	0.7
455.06506	4.1
470.08932	3.2
485.11267	77.7
486.11575	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	485.1245
Annotation	Parvifolol C
Peak:m/z	Relative Intensity
69.02504	1.5
69.02924	3.7
74.63422	0.5
81.03455	0.9
94.87748	0.6
106.20531	0.6
108.02179	2.1
109.02956	33.0
110.03317	0.6
121.02947	2.2
123.04487	0.8
129.52475	0.6
133.02986	0.7
135.04543	7.3
137.02449	0.9
159.04503	3.2
161.02393	1.2
167.05067	1.1
168.18782	0.5
171.04536	1.5
172.05315	1.9
173.06058	2.2
179.98232	0.5
181.06639	0.6
183.04524	1.9
185.06010	3.2
195.04521	0.7
196.05281	2.3
197.06088	4.2
198.03336	0.9
199.04041	4.0
201.05544	1.4
209.06038	0.6
211.03970	2.7
212.04663	1.2
213.05579	6.3
214.06102	0.8
221.06084	1.0
223.04143	1.0
224.04721	2.8
225.05521	3.2
227.03482	1.8
228.04279	1.2
229.05054	7.6
233.06055	0.7
235.07562	0.8
237.05600	1.2
239.03525	1.3
240.04320	4.6
241.05070	23.8
242.05760	4.0
243.06633	10.5
247.07600	1.2
249.05537	1.2
251.03522	1.0
251.07193	0.6
252.04366	0.8
253.05016	6.3
254.05728	2.1
255.06451	2.8
259.07571	0.9
261.05707	1.1
261.09161	1.2
262.06354	0.9
263.07150	2.3
264.04218	0.7
265.05029	5.3
265.07568	0.7
265.08832	0.6
266.05698	1.7
267.06577	1.5
273.05539	0.7
274.06265	0.8
275.07123	1.2
277.05084	1.8
277.08551	1.0
277.39670	0.6
278.05859	1.3
279.06644	3.1
281.08170	1.4
287.07123	1.6
288.07996	0.8
289.05261	0.6
289.08710	2.1
290.05789	1.1
291.06607	6.3
292.07315	1.7
293.08075	0.8
295.09814	1.4
303.06702	1.3
304.07501	0.8
305.08237	4.8
307.06342	0.9
307.09708	3.9
315.06622	2.6
316.07217	1.2
317.04639	0.7
317.08179	1.2
319.06036	1.4
319.09549	1.0
321.07675	0.9
329.08319	1.9
331.06265	1.2
331.09811	1.7
333.07675	5.7
343.05978	1.1
344.07019	1.0
345.07593	1.9
347.05603	0.7
347.09332	1.5
349.07098	1.5
357.07693	7.7
358.08307	1.6
361.07248	2.3
362.07990	2.8
363.08719	4.6
375.08731	49.6
376.09061	5.6
401.10306	1.8
467.11426	1.7
485.12433	100.0
486.12820	12.1
503.14063	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09344	0.2
60.74820	0.2
69.03164	0.8
69.03590	0.6
71.56264	0.2
76.39021	0.2
107.05046	0.3
109.02967	0.6
115.05524	0.3
121.02923	0.2
126.45655	0.2
129.07115	0.5
131.05025	0.4
133.02928	0.5
135.04506	1.2
137.02420	0.2
141.07097	0.6
143.05048	1.4
145.06610	0.6
155.05011	0.3
156.05763	0.5
157.06602	1.5
158.03783	0.5
159.04527	13.2
160.04854	0.4
161.02434	1.1
167.05110	0.3
169.06610	0.8
171.04547	1.7
172.05290	1.0
173.06076	3.4
175.07657	3.8
179.08345	0.2
180.05870	0.5
181.06601	0.9
183.04514	1.1
185.02586	0.2
185.06099	3.3
186.06380	0.2
195.04568	0.9
195.06221	0.2
196.05322	1.1
197.06099	4.5
198.06755	0.5
199.04022	3.3
199.07658	2.9
200.04750	0.7
201.05586	11.6
202.05927	0.5
204.04253	0.2
211.04181	0.2
212.04808	0.7
213.05563	4.2
214.06232	0.3
215.07283	0.3
223.03937	0.2
224.04796	0.7
225.05594	2.8
228.04370	0.4
240.04227	0.4
241.05089	18.2
242.05634	1.8
243.06631	100.0
244.06970	4.9
433.62466	0.2
485.12314	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	485.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86896	0.5
52.95313	0.7
59.01362	0.7
61.98835	0.5
68.83590	0.7
69.52883	2.7
70.21755	0.8
74.90388	0.6
81.03462	0.8
85.61740	0.6
93.03480	0.9
97.34161	0.6
104.39537	0.6
108.02157	2.2
109.02959	40.8
110.03304	0.7
121.02938	2.0
123.04490	1.5
125.02481	1.1
133.02992	1.3
135.04529	8.4
137.02441	2.4
138.45836	0.6
139.11316	0.9
147.04494	1.0
159.04501	3.3
161.02409	2.1
164.04767	0.7
171.04539	1.7
172.05186	1.5
173.06041	1.6
179.07127	1.2
183.04521	1.7
183.08133	0.7
185.06082	2.8
187.04010	1.4
187.07748	0.9
195.04410	1.1
196.05238	1.6
197.06096	4.0
199.04001	3.8
199.07567	0.7
201.05450	1.6
201.11288	1.2
209.06064	1.5
211.04092	3.5
212.04822	1.7
213.05563	6.0
221.06036	1.5
223.04054	1.0
224.04739	1.9
225.05624	4.1
227.03477	2.5
228.04219	1.2
229.05045	8.4
235.07561	1.1
237.05598	1.3
239.03424	1.0
239.07333	0.9
240.04271	4.4
241.05057	20.6
242.05679	2.4
243.06625	8.4
246.06763	1.1
247.07623	1.0
248.04871	0.7
249.05591	1.3
251.03564	0.7
251.07010	0.9
252.04282	1.6
253.05029	7.2
254.05807	1.8
255.06581	2.0
259.07587	0.8
260.08313	0.6
261.05597	1.3
261.09119	0.9
262.06442	1.5
263.07050	1.6
264.04095	0.9
265.05042	6.2
265.08636	1.1
266.05692	1.4
267.06638	1.8
271.07578	0.9
273.05923	0.7
275.07266	1.0
277.05048	2.0
277.08652	1.4
278.05847	1.8
279.06647	3.5
281.08240	1.4
285.13541	0.7
287.07202	1.5
289.08691	2.3
290.05869	1.1
291.06592	4.9
292.07346	2.0
293.08286	1.0
295.09747	1.6
299.07098	0.8
303.06702	1.1
304.07394	1.4
305.08118	5.4
306.05392	1.2
307.06567	1.0
307.09689	4.9
313.08615	1.1
315.06543	3.8
316.07385	1.2
317.04504	1.4
317.08014	1.4
318.05374	1.1
319.06116	1.1
321.07748	1.3
327.06616	1.1
329.08121	2.6
331.06158	1.0
331.09760	2.1
332.06686	1.4
333.07748	4.7
343.05988	1.7
343.35736	0.6
344.06931	1.3
345.07816	2.0
347.09506	0.9
349.07175	1.4
357.07782	9.1
361.07217	3.1
362.07867	2.8
363.08893	4.4
375.08765	49.9
376.09097	3.6
401.10394	1.7
467.11560	1.9
485.12424	100.0
485.28400	2.1
486.12830	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	485.1245
Annotation	Cassigarol E
Peak:m/z	Relative Intensity
52.39615	0.7
61.98838	0.8
68.99561	1.2
69.24281	5.4
69.96477	0.7
77.36209	0.9
79.95744	71.6
81.03419	1.5
93.03450	1.5
94.10919	1.0
96.95959	1.0
98.21791	1.8
108.02144	1.3
109.02267	1.0
109.02960	17.2
110.03291	1.3
112.98532	2.4
120.09048	1.0
121.02969	4.9
123.04494	2.2
124.01649	1.4
125.02444	1.5
127.90074	0.8
131.05013	1.8
133.02962	1.2
135.04541	13.2
137.02386	3.6
139.04041	1.0
143.05019	1.1
145.06612	1.2
146.03705	1.5
147.04462	1.0
151.03915	1.9
153.05487	1.7
158.03664	1.4
159.03256	1.1
159.04529	17.8
161.02396	3.0
161.06049	1.8
163.03952	0.9
167.04926	1.0
171.04456	2.8
172.05206	3.1
173.06107	5.0
175.07555	3.4
179.07143	1.2
181.05086	35.1
182.05374	1.1
183.04434	2.6
185.05984	3.2
187.03848	1.1
195.04497	1.5
196.07428	37.9
197.05960	4.4
197.07712	1.9
198.03098	1.8
199.04018	5.4
199.07558	1.2
200.04668	1.0
201.05597	8.6
201.11232	1.3
204.04192	1.7
209.06007	1.1
211.03954	2.5
211.07738	1.7
211.09766	34.0
212.04678	2.5
212.10031	1.5
213.05566	6.5
221.06049	1.2
224.04688	3.4
225.05473	3.3
227.03400	2.1
229.05038	4.4
239.03363	1.2
240.04204	4.0
241.02660	1.0
241.05070	33.7
242.05801	6.2
243.06625	34.0
244.06865	2.4
253.05151	2.2
254.05592	1.0
255.06564	2.1
259.02689	2.2
263.06973	1.3
265.04892	3.4
267.06485	1.1
275.06927	1.1
277.04919	1.4
278.05966	0.9
279.06573	2.2
281.08020	1.5
283.05899	1.9
289.08521	1.3
292.07169	1.0
293.08121	1.4
295.09698	1.3
301.08627	1.1
303.06500	1.1
305.07751	1.3
307.09601	1.1
309.03867	2.1
315.06689	1.2
317.07996	1.7
319.09351	1.3
321.07248	1.4
331.09555	2.5
333.07620	2.0
335.08807	1.2
341.07632	1.0
345.07602	2.1
349.07162	8.6
357.07422	2.0
361.07068	4.6
363.08838	4.3
375.08749	11.1
401.10233	6.9
417.13058	1.7
424.36035	1.3
425.09979	1.2
427.08432	1.4
441.13376	1.2
443.11044	1.1
467.11029	3.7
484.61517	1.6
485.12570	100.0
486.12881	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	485.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97464	0.7
56.52668	0.8
58.82092	0.7
58.86327	0.7
62.11954	0.8
63.86159	0.8
65.55222	0.7
69.35732	4.4
79.95744	100.0
80.96534	1.1
92.99585	0.8
93.77245	0.7
96.96028	0.7
97.02898	0.7
109.02961	2.2
123.04483	0.8
137.02473	6.1
151.04002	1.9
153.05568	1.1
164.04764	1.2
178.06480	1.0
179.07159	2.7
181.05084	49.2
182.05440	2.0
193.08778	1.2
196.07416	62.4
197.07794	3.1
211.09769	59.4
212.10184	2.5
243.06624	1.3
259.02866	2.1
273.04327	1.1
376.09192	1.0
383.28088	0.9
405.19055	1.2
485.14923	71.4
486.15341	8.1
505.45984	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	12.8
58.00589	1.2
59.01382	40.2
71.01387	31.2
71.01722	0.9
71.27337	1.3
71.66664	1.0
72.01714	1.4
72.99310	2.4
73.02937	1.8
74.64039	1.1
78.95918	1.5
81.01789	1.3
83.01394	2.5
85.02958	5.9
87.00900	4.6
87.78376	1.2
89.02451	47.8
95.01406	1.9
96.96084	1.1
99.00908	1.2
99.04525	8.5
101.02448	22.5
103.92036	1.2
113.02466	15.6
119.03504	17.2
123.00906	1.3
125.02468	13.4
131.03484	1.9
139.00273	1.2
143.03508	3.3
149.04608	2.4
157.23854	1.1
161.04596	5.2
167.03561	1.6
169.01379	1.8
171.94588	2.0
177.01999	1.4
179.05592	19.0
201.02505	2.0
206.95605	6.1
233.00993	1.6
245.60170	1.3
273.51306	1.3
300.99792	2.4
323.09964	3.3
341.10898	100.0
342.11285	5.1
383.12027	5.1
387.35623	1.2
392.24451	1.3
458.54749	1.2
485.14645	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	485.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	10.2
58.02980	0.4
58.88554	0.5
59.01385	2.4
60.31536	0.5
61.98819	0.9
64.79453	0.5
66.72243	0.5
71.01392	1.4
73.48523	0.5
75.00856	0.5
85.02931	0.7
89.02461	0.7
98.22626	1.0
101.02486	1.9
108.02193	2.6
109.02969	1.7
113.02461	1.1
118.30109	0.5
121.03023	0.5
123.00900	1.5
123.04560	1.0
125.02476	2.3
137.02469	1.7
139.00430	0.8
140.01161	1.4
150.78798	0.5
151.00412	1.2
152.01166	2.2
153.01857	0.7
163.03984	1.3
164.04805	81.0
165.05060	2.9
168.00655	1.1
169.01437	2.1
177.05557	0.8
179.07146	100.0
180.07457	3.0
207.10274	1.2
241.05115	0.7
243.06808	0.5
261.07663	0.6
323.11655	0.8
341.12421	15.9
342.12878	1.0
375.08850	1.0
383.13501	4.0
485.12039	1.3
485.20212	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	485.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44781	0.9
55.01875	1.7
55.63853	0.8
57.03448	1.3
58.00597	1.1
59.01379	28.0
60.27533	0.9
61.98835	1.2
63.00194	1.0
69.07277	7.5
71.01383	24.1
72.99317	1.6
73.02953	10.9
83.01381	3.1
85.02954	9.1
85.71038	0.8
86.00043	0.9
87.00863	6.3
89.02450	14.3
94.84015	0.9
95.01432	2.4
95.79296	0.9
96.96031	3.3
97.02937	1.2
98.21737	2.0
99.00896	1.3
101.02444	21.5
108.02173	2.9
109.02958	1.8
113.02453	8.0
116.28343	0.9
118.05096	0.8
119.03532	5.4
123.04552	1.2
125.02457	3.1
131.03534	6.0
139.03976	1.3
143.03514	2.0
145.07750	1.6
146.04788	1.2
152.01122	3.0
153.01982	1.3
153.96240	1.0
159.03026	1.3
160.06396	8.0
161.04578	7.5
161.07211	74.2
162.07526	3.4
162.80008	1.1
165.05478	1.1
167.03487	2.5
169.01418	2.3
175.08774	26.0
179.05649	1.9
187.08826	3.5
189.06703	100.0
190.06989	5.3
202.41557	0.9
203.08266	24.7
203.10173	1.2
203.11989	1.5
204.08540	1.1
211.02539	1.8
221.06650	9.3
229.09830	2.9
271.04663	3.8
284.76517	0.9
305.11447	15.2
323.07678	0.9
323.12479	3.1
393.03610	1.0
404.49036	1.1
405.75778	0.9
467.16708	3.4
485.17844	91.1
486.18155	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	485.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94808	0.8
57.03451	0.8
62.09161	0.7
70.84771	0.8
71.05003	3.3
71.28190	1.4
73.02931	0.9
79.01879	3.3
83.05018	0.9
85.06585	1.7
85.95043	0.7
90.02336	0.7
95.05028	10.5
97.02945	4.7
99.08133	1.1
108.49830	0.8
109.06544	1.6
111.04547	5.6
118.33018	0.8
121.02980	2.4
121.06547	0.8
122.03815	0.9
123.08153	4.9
125.06068	3.1
125.09690	2.1
127.48058	0.8
137.09712	2.0
139.04021	22.6
147.08151	1.5
150.06752	1.0
150.22357	0.7
162.03210	1.3
163.03990	1.3
163.07600	1.8
165.01907	2.9
165.09213	26.4
166.02678	0.7
166.09605	1.5
179.10785	21.1
180.11108	1.5
181.08722	1.7
191.03458	3.2
191.07156	1.8
205.08601	1.3
209.08200	100.0
210.08546	4.8
217.01414	3.0
218.02231	1.3
219.02869	0.9
223.09769	85.7
224.10104	3.4
231.10100	1.0
233.08269	4.0
243.06700	1.8
246.05257	2.4
247.09744	3.8
249.07652	1.9
260.06836	2.9
261.07693	49.6
262.07959	3.4
275.09262	54.8
276.09531	4.4
299.09293	0.9
317.81134	0.7
355.11838	5.9
423.32730	1.7
427.21146	8.6
428.21985	0.9
441.33594	1.3
451.32227	2.9
453.33643	5.9
454.33868	1.2
485.18097	56.8
485.32367	11.9
486.18320	6.4
486.33545	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46857	1.6
59.01378	4.8
63.31253	1.5
68.45350	1.6
68.99522	14.3
71.05019	1.9
75.57764	1.9
79.01907	1.9
85.02970	19.0
85.06596	3.4
87.04526	4.0
95.05038	13.3
97.02999	2.1
98.21793	2.7
109.02917	2.3
109.06615	7.2
111.00890	4.2
111.03783	1.2
111.04531	32.2
111.08203	2.8
113.02500	4.1
113.06109	5.8
119.05037	2.6
121.02928	2.3
123.08167	4.0
125.06100	10.8
135.04477	1.8
135.08165	4.7
137.02409	2.8
137.06102	3.3
137.09775	1.9
139.04047	9.3
143.10817	4.2
151.03992	2.5
153.05550	1.8
155.07146	4.2
165.01952	2.9
165.05608	2.4
165.09210	11.4
166.02655	2.7
167.07117	4.3
177.09036	1.9
179.07066	8.5
179.10826	5.2
181.05084	1.9
181.08701	14.9
183.06641	64.1
191.07193	3.1
195.98300	1.7
197.08212	18.5
203.10803	5.5
205.05096	3.1
205.12413	12.7
207.06696	5.6
207.10271	5.1
207.13881	6.1
209.08186	66.4
217.08650	2.5
221.04691	3.9
221.08224	6.1
223.09776	23.7
231.10349	2.4
233.08237	3.5
235.06042	3.5
235.09769	6.2
245.08260	2.2
247.09702	4.5
249.07759	10.4
249.11328	100.0
250.11543	7.9
259.09741	3.9
261.07611	2.8
263.09256	2.1
271.09857	2.1
273.11362	2.2
275.09204	5.1
275.12848	5.7
275.66113	1.9
277.14508	2.9
287.06259	1.9
287.09283	3.6
295.09637	2.0
301.10834	4.5
303.12537	3.2
303.16064	6.5
329.14120	8.7
355.11810	4.7
359.11359	2.8
373.12814	9.4
373.16913	2.0
383.11121	3.3
397.12619	2.9
411.14767	2.6
413.12476	7.7
413.19730	2.4
425.16147	11.0
441.33606	3.3
467.16653	2.2
485.17447	89.8
485.32312	17.3
486.17706	11.2
486.33063	2.2
504.79755	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	485.2028
Annotation	DHP-mOx-NS-DHB
Peak:m/z	Relative Intensity
55.01873	0.7
59.01374	3.3
61.98824	1.7
62.90483	0.5
68.16122	0.5
69.52797	2.0
69.53190	1.1
71.01387	2.8
71.94229	0.5
73.02958	0.8
79.01917	1.2
83.01383	1.7
83.43341	0.5
85.02959	2.0
89.02446	1.0
95.01402	1.5
97.02968	0.9
98.21777	0.9
99.00864	0.8
101.02448	2.4
107.01383	3.3
108.02185	1.2
109.02966	1.1
111.00884	1.9
113.02467	1.5
123.00890	11.7
124.01702	1.1
125.02451	11.8
127.00409	1.0
136.98833	1.0
137.02446	1.5
139.00372	4.9
139.04080	0.6
140.01155	2.8
141.01964	1.4
151.00383	9.5
151.04144	0.6
152.01138	1.3
153.01938	1.3
168.00648	4.6
169.01434	18.3
173.30522	0.6
193.05261	0.5
199.22647	0.7
211.02505	6.2
213.63809	0.5
240.88831	0.6
256.07767	0.5
265.67328	0.5
271.04620	4.9
288.78586	0.5
313.05707	1.1
485.20404	100.0
486.20682	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	485.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56597	0.3
53.70407	0.3
57.03433	1.1
59.01354	0.6
65.00313	0.5
70.87239	0.3
81.03465	5.4
82.10390	0.3
83.01382	0.7
83.05019	0.5
85.02920	0.5
87.65517	0.3
95.05035	0.6
95.99957	0.3
96.96030	0.8
97.02967	0.4
97.06618	0.8
99.08168	0.5
101.06076	0.5
107.01385	0.4
109.06606	0.7
111.04537	1.8
122.03751	1.1
123.08175	2.6
125.02458	3.7
125.06092	3.9
139.04016	0.8
139.74548	0.4
141.09276	0.4
143.10779	0.7
151.00378	1.1
151.07628	2.3
165.01926	0.3
165.09218	22.5
166.09549	0.6
168.30582	0.3
177.05545	0.3
179.10768	0.7
181.08751	1.2
183.06583	0.7
191.07147	1.2
192.74768	0.3
195.06636	8.3
197.08167	1.2
197.60786	0.4
205.08704	1.7
207.06760	0.5
207.10280	2.0
207.13849	0.4
209.08202	100.0
210.08548	4.5
219.10338	0.4
220.69518	0.3
221.08206	1.0
223.09818	3.7
235.09750	1.3
247.09958	0.4
247.13429	0.4
249.07640	2.5
249.11238	0.5
249.15025	0.7
259.09857	0.5
260.10489	0.8
261.07700	0.6
265.10849	0.6
275.12912	19.5
276.13275	1.6
277.15085	0.4
277.18051	1.9
289.14447	1.8
290.70346	0.3
303.12207	0.4
333.20914	0.7
338.40369	0.4
344.66409	0.3
377.32043	0.5
379.29877	0.4
395.33261	0.6
413.19656	0.4
425.15289	0.4
441.33459	3.6
467.31836	0.9
485.18042	3.6
485.21710	2.0
485.32849	13.7
486.17963	0.4
486.33282	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	485.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.7
59.01369	0.8
59.38518	0.4
61.40826	0.4
65.00320	0.9
66.45848	0.4
69.08546	0.8
69.08955	2.6
70.61240	0.4
75.63160	0.3
81.03458	4.4
83.01416	0.5
84.16190	0.4
87.04529	0.5
87.22153	0.4
95.05056	0.6
96.96015	0.6
97.02978	0.5
97.06584	0.5
99.08165	0.6
101.06113	0.7
107.01392	0.5
109.06585	0.8
111.04539	1.5
122.03780	1.0
123.08191	2.2
125.02457	4.7
125.06097	4.3
133.45534	0.4
139.04005	1.7
141.09282	0.5
147.08105	0.6
151.00365	1.0
151.07645	1.4
165.09218	26.3
166.09528	0.6
179.10826	0.7
181.08696	1.1
191.07170	1.1
195.06639	5.7
197.08273	0.8
205.08727	1.9
205.12395	0.5
207.10207	1.0
209.08203	100.0
210.08514	4.7
221.04773	0.4
221.08292	0.7
223.09726	2.1
232.11107	0.6
233.71634	0.4
235.09840	1.1
235.13391	0.5
249.07684	1.9
260.10632	0.7
270.17722	0.4
275.12909	19.2
276.13196	1.1
277.18091	1.0
289.14474	1.1
355.12003	0.4
413.20007	0.5
441.33536	2.3
442.33890	0.4
467.31561	1.1
485.17783	2.0
485.22037	2.0
485.32657	7.8
486.33157	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.0
57.03447	8.7
61.12425	1.0
69.73186	5.1
87.69322	1.0
92.55068	1.2
104.76511	1.0
111.04530	2.3
113.09737	6.8
123.08118	1.1
124.56734	1.0
128.23068	1.2
137.09740	4.1
176.02391	1.1
177.12907	7.4
181.08711	51.5
182.09047	2.3
193.12306	2.4
195.06645	1.3
203.10712	1.3
205.12344	20.0
207.13902	100.0
208.14304	5.2
209.08185	4.3
221.08176	2.2
221.11845	2.3
223.09767	2.0
235.13333	7.8
240.63492	1.0
249.07610	1.4
249.08733	1.2
249.11287	13.4
249.14880	10.4
250.11740	1.1
251.09232	1.4
251.12872	7.5
265.11023	1.6
276.37503	1.2
277.14462	10.9
328.42322	1.1
345.95346	1.0
418.98419	1.2
427.20984	1.9
441.33682	1.7
485.29044	93.8
486.29385	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	485.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01909	1.6
57.03496	2.8
69.45268	3.4
71.05077	1.1
73.02943	11.0
87.04544	0.9
87.44157	0.7
95.05084	0.9
97.06645	1.2
109.03050	0.8
111.04556	1.5
111.08186	0.7
113.09740	7.2
123.08260	1.2
125.09725	7.6
135.08217	0.8
137.09854	0.9
139.04045	1.8
149.09752	1.7
151.11299	5.3
151.34828	0.7
160.36601	0.6
165.09216	2.1
165.12865	4.1
166.06424	1.1
177.12936	0.7
179.10831	1.7
179.14436	3.5
181.08711	54.3
182.09038	2.3
183.06711	0.8
189.12813	3.2
205.12344	2.8
207.13901	100.0
208.14273	5.8
209.08209	8.0
223.09787	4.1
225.07652	1.5
233.08351	0.8
235.13406	3.3
249.14957	10.9
250.15305	0.8
251.09047	0.7
251.12909	8.9
261.07831	0.8
265.10709	1.2
275.09125	0.8
293.13849	0.9
297.51746	0.7
441.33279	1.5
485.18423	8.4
485.28592	61.4
486.29138	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	485.2912
Annotation	Camphoratin C
Peak:m/z	Relative Intensity
55.01881	1.3
57.03455	8.0
69.52393	3.6
73.02967	0.9
79.10591	0.8
86.58788	0.7
95.05101	1.2
97.06589	1.5
98.22466	1.0
99.08166	1.1
101.02470	1.0
111.04557	1.5
113.09734	7.5
116.52148	0.7
129.95122	0.9
137.09731	3.0
151.11349	1.1
165.09146	1.0
166.06354	1.0
177.12875	6.6
181.08730	50.7
182.09093	2.1
205.12354	14.2
207.13921	100.0
208.14175	4.1
209.08220	3.0
221.08221	1.5
221.11838	2.3
231.35944	0.9
233.22112	0.7
235.13513	4.0
249.07730	2.4
249.14944	8.9
251.12875	5.8
277.14502	9.8
278.15024	1.1
429.42310	0.8
485.22214	5.6
485.28986	89.1
486.29266	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	485.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47374	0.7
57.03465	1.0
60.45262	0.7
70.92563	0.9
70.92912	1.0
97.06600	6.1
97.31803	0.7
104.14363	0.6
105.86389	0.6
137.09775	1.1
154.11273	0.6
189.17000	0.7
257.76797	0.7
372.55359	0.8
389.28461	2.3
405.31784	9.1
406.32288	1.6
407.33704	3.9
423.32690	2.1
437.30566	1.4
439.32071	4.3
441.33679	2.9
449.30615	2.7
451.32217	100.0
452.16238	0.6
452.32654	12.8
452.38962	1.3
467.31314	2.1
483.31201	1.3
485.32748	21.9
486.32977	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	485.3276
Annotation	CHEBI:65783
Peak:m/z	Relative Intensity
55.58036	1.8
67.25082	1.8
73.17452	1.6
76.76165	1.5
80.02728	2.1
87.00894	4.0
97.06607	4.4
98.22535	4.4
100.70576	1.6
111.97296	1.9
115.91545	1.9
125.09733	10.7
135.31061	1.7
187.09795	9.1
255.23199	4.7
256.23581	2.1
315.25333	2.0
343.28531	2.0
355.26447	6.1
388.46573	1.9
405.31653	2.4
407.29453	2.8
423.32697	10.6
434.90112	1.9
441.33896	25.2
442.34070	4.5
451.32104	5.8
453.33948	10.3
467.31607	4.6
485.32776	100.0
486.33072	12.8
511.08997	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3276
Annotation	gypsogenic acid
Peak:m/z	Relative Intensity
61.33766	0.3
69.06029	1.2
69.06429	2.4
135.74130	0.4
155.07155	0.7
164.96057	0.4
196.07454	0.4
229.77032	0.4
274.38504	0.4
305.03775	0.5
309.87790	0.4
369.31448	0.8
423.32666	1.0
439.32281	0.9
441.33798	12.2
442.34213	1.4
453.06750	0.4
485.32782	100.0
486.33121	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	485.3275
Annotation	CHEBI:65783
Peak:m/z	Relative Intensity
58.12051	0.5
59.01395	0.7
59.57626	0.5
69.30640	3.7
70.81427	0.6
87.00891	0.6
97.06625	0.8
98.22546	1.1
125.09743	1.8
173.57204	0.6
187.09789	0.9
191.96452	0.6
262.94241	0.6
355.26199	0.7
383.29202	0.7
391.26532	1.0
407.29321	5.6
407.33307	0.6
423.32700	18.7
424.32843	2.2
426.52319	0.8
439.53543	0.7
441.33783	13.5
442.33942	1.8
453.33740	2.6
467.31754	4.1
485.32742	100.0
486.33081	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	485.3276
Annotation	Wilforic acid E
Peak:m/z	Relative Intensity
62.58547	0.5
70.55892	1.3
70.92178	0.5
73.02965	0.7
83.05023	0.6
85.06593	2.2
89.73579	0.5
141.51457	0.5
166.02344	0.7
276.34442	0.5
368.43655	0.5
377.36719	0.5
407.29471	1.5
409.31216	2.4
411.32938	0.9
439.32108	1.7
441.33978	6.8
455.32104	0.7
459.34738	0.6
485.32776	100.0
486.33139	10.6
503.33383	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.1
73.02962	0.3
74.40548	0.2
85.01183	0.3
137.86984	0.2
142.86203	0.2
146.97926	0.2
156.14687	0.2
189.88493	0.2
218.03403	0.2
367.47275	0.2
423.32800	0.7
439.32199	4.3
440.32779	0.5
441.33798	13.0
442.34238	1.2
455.31921	0.4
467.31714	0.8
485.32779	100.0
486.33173	10.6
486.40308	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3279
Annotation	CHEBI:65783
Peak:m/z	Relative Intensity
59.01377	2.1
59.81107	1.3
65.13810	1.3
71.01379	4.0
72.89825	1.5
74.86386	1.2
76.21667	1.3
79.61227	1.4
81.14659	1.4
209.93932	1.7
213.59065	1.5
349.29266	3.0
383.29489	23.1
413.30679	6.5
423.32718	17.4
424.33127	2.6
441.33786	3.2
485.32764	100.0
486.33224	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	485.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73387	0.3
67.46865	0.3
93.36066	0.4
143.76808	0.4
151.20132	0.3
296.29053	0.4
395.33328	0.8
421.31100	2.3
423.32990	0.6
439.32144	3.6
440.32864	0.6
441.33771	20.1
442.33792	2.3
485.32764	100.0
486.33121	12.2
486.40240	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00403	0.4
63.66891	0.3
70.92923	0.7
72.62440	0.3
73.02988	0.3
75.88403	0.3
112.29617	0.4
130.75136	0.3
157.55522	0.3
180.02637	0.3
237.04376	0.3
280.51535	0.4
301.06839	0.3
379.30063	0.4
407.29892	0.5
482.31757	0.4
485.32755	100.0
486.33072	10.3
491.37579	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89671	0.4
56.51871	0.5
57.03447	0.6
58.00594	1.1
60.78544	0.5
66.73785	0.4
69.67555	1.1
69.67967	1.7
71.05011	1.1
73.02950	0.8
97.06599	1.0
173.09734	1.2
203.21655	0.6
369.28061	2.0
375.26865	0.6
387.27097	1.0
389.28558	1.0
391.30304	0.9
404.27090	1.5
405.28036	1.1
407.29675	1.4
409.27692	1.5
419.29767	1.2
421.31256	5.9
423.33289	1.0
425.31256	0.7
437.30475	0.6
439.32220	30.2
440.32544	4.0
441.34171	3.0
455.31549	0.9
467.31680	21.6
468.32120	1.9
485.32816	100.0
486.33170	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	485.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
68.45959	0.5
69.08733	1.9
69.09155	1.8
70.28036	0.5
83.04872	0.5
97.06523	0.5
103.29755	0.5
115.36803	1.0
153.07626	0.6
191.14209	0.5
396.96735	0.6
405.28018	1.0
409.27371	4.2
421.31122	2.0
423.28632	3.2
425.30563	2.1
439.32166	77.8
440.32513	9.4
441.33768	2.9
485.32755	100.0
486.33072	11.3
502.78305	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3637
Annotation	Methyl 2alpha-hydroxyoleanolate
Peak:m/z	Relative Intensity
53.15269	0.5
60.99306	0.8
64.24788	0.5
71.05012	1.4
71.29788	0.5
73.73803	0.5
83.05027	1.4
85.06571	0.6
89.31088	0.4
97.06598	6.7
97.10144	0.5
137.09744	0.9
146.59117	0.5
191.14500	0.6
194.88812	0.6
326.73013	0.6
374.26022	0.7
375.26544	0.8
377.28668	0.8
389.28470	2.0
391.30209	4.0
405.31628	8.3
406.31973	1.0
407.33313	10.8
408.33627	1.0
411.00787	0.5
421.13919	0.5
423.32788	1.6
437.30765	1.7
439.31958	2.5
441.33817	10.0
442.34250	1.1
451.32205	34.3
452.32635	4.4
453.33749	100.0
454.34143	11.0
456.39575	0.5
471.34863	5.4
485.32318	6.5
485.36688	7.0
486.37766	1.1
497.32751	9.1
498.33047	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70020	0.2
59.01374	0.8
61.32686	0.2
61.98824	0.5
69.29433	1.2
71.01382	0.9
79.70815	0.2
84.18274	0.2
93.02919	0.3
93.03456	1.7
96.96011	0.4
101.02471	0.5
103.68863	0.2
107.79248	0.2
108.02190	0.2
109.02966	0.3
113.02428	0.3
116.05074	4.1
123.04512	0.3
124.01629	0.2
125.02451	0.4
132.04558	0.3
137.02461	2.9
148.08728	0.2
152.01186	0.3
153.01958	0.4
159.03297	0.8
160.04053	100.0
161.04405	4.2
169.01358	0.4
181.31073	0.2
203.97240	0.2
204.03032	3.6
228.08218	0.2
281.06717	3.6
324.76505	0.2
330.78375	0.2
330.93906	0.2
366.08344	7.4
367.08762	0.4
442.11478	0.4
478.47598	0.2
486.10486	11.4
486.16998	1.0
487.10968	1.0
487.18250	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
66.19798	0.7
98.21792	1.9
122.22239	0.5
128.46237	0.5
137.02495	0.6
139.11421	0.5
142.87332	0.5
165.44968	0.7
167.47849	0.5
174.98299	0.7
253.68481	0.6
325.13028	0.7
366.91949	0.6
487.31186	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	486.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.9
61.98833	100.0
69.04749	3.7
69.05147	1.1
81.88136	0.4
98.67094	0.4
124.96214	0.6
143.69273	0.4
168.80986	0.5
185.35693	0.5
215.48894	0.4
244.34419	0.5
298.98444	0.9
314.00711	0.6
329.03085	1.0
383.13260	0.5
443.31589	2.7
487.29977	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	487.016
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01352	0.6
61.98817	1.0
63.79402	0.6
69.24558	2.5
69.24971	0.9
71.01393	0.8
76.33688	0.6
79.95746	4.0
94.17106	0.7
96.96014	1.5
98.21857	0.8
99.54758	0.6
104.03464	0.5
109.60107	0.5
116.43527	0.5
123.00908	0.9
124.01666	1.6
125.02460	1.2
137.02361	0.6
139.04002	0.8
144.02246	0.7
145.02936	1.7
147.04485	0.7
149.02426	2.1
150.03247	4.5
151.00577	0.9
157.02927	1.2
160.01648	1.3
164.04768	1.3
165.05583	4.7
167.03494	0.9
167.42455	0.7
169.01405	0.9
172.01753	3.5
173.02425	1.8
176.01079	0.9
185.02446	4.3
188.01180	0.9
195.06642	1.6
200.01169	5.4
201.01906	2.6
213.01950	1.0
216.00624	4.8
226.99834	1.7
228.00638	1.9
229.01393	5.0
242.99309	5.8
244.00119	4.6
245.00929	3.0
254.99211	1.0
256.00110	1.2
257.00983	4.9
259.02884	1.5
260.38458	0.6
266.99377	9.2
270.98868	16.8
271.16977	0.8
271.99557	3.6
282.98825	3.4
283.99615	11.0
285.00336	2.5
295.02753	0.7
297.97595	2.5
298.01276	0.6
298.98340	17.4
299.99118	92.4
300.99890	81.5
302.00287	4.8
307.99731	5.1
309.00269	2.5
310.98318	2.5
311.01788	1.3
312.99786	1.8
321.00580	0.8
323.99014	1.1
335.18625	3.5
335.99265	1.0
336.99808	1.8
339.01569	3.5
344.12802	1.1
359.15033	0.8
363.98553	1.0
364.99277	1.1
367.01035	1.3
397.01978	1.0
399.18652	3.9
407.00436	8.6
408.00616	1.1
425.01605	10.5
443.02548	0.8
451.12427	2.4
461.21396	0.6
469.00424	8.6
487.01593	100.0
487.12967	9.4
487.20169	10.9
488.01978	7.9
488.20193	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50767	1.9
56.65344	1.8
59.01383	17.9
61.98826	5.7
69.34894	11.2
71.01382	14.4
75.58344	2.2
76.21799	2.0
78.95896	7.9
80.91671	2.7
83.01403	4.4
85.02946	3.8
87.00872	4.5
89.02439	10.3
93.03434	3.6
95.01418	2.3
95.05056	3.4
96.96030	4.2
96.96971	8.8
97.02952	4.0
97.92464	2.3
101.02444	8.9
109.02947	15.7
111.04509	1.8
113.02436	6.5
117.05538	2.2
119.03487	4.3
119.05038	4.1
121.02926	2.0
123.00890	3.8
123.04498	12.6
124.01680	2.3
125.02449	27.5
135.04482	3.0
137.02461	19.2
138.03146	2.0
139.00378	4.0
139.04047	4.7
149.02432	6.1
151.03986	6.2
153.01895	5.8
161.02397	7.1
161.06064	4.1
163.04021	5.3
165.01949	7.3
165.17603	1.9
167.03502	3.9
168.00650	6.2
169.01424	16.8
175.04007	2.3
179.03485	6.9
187.04018	3.0
188.04808	2.5
189.01987	3.2
203.07162	9.3
205.05060	7.0
206.61642	2.3
211.02538	13.1
237.07608	2.4
245.08185	17.5
271.04532	14.9
289.07181	100.0
290.07590	5.6
299.07806	2.9
300.99957	3.0
325.08914	2.2
335.13400	6.2
451.12445	19.7
452.12222	3.1
487.15350	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	487.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	8.0
59.71554	1.3
67.01885	2.3
69.03455	1.8
70.79621	1.7
71.01384	9.6
73.02936	4.2
79.01874	1.8
81.03441	2.4
83.01379	5.8
83.05026	6.2
85.02937	4.6
89.02441	4.2
93.03470	20.9
95.01369	3.0
97.02916	2.0
99.00889	3.0
101.02407	3.8
107.01395	11.2
107.05046	1.8
109.02979	7.6
111.00872	6.2
111.04536	28.0
113.02442	2.8
121.02927	1.3
123.00915	24.4
125.02453	55.4
126.02706	2.2
127.04062	1.3
135.04520	3.0
137.02460	8.7
139.00339	7.7
140.01180	2.7
141.01901	3.8
141.58350	1.3
143.03535	1.9
148.35037	1.4
151.00385	21.6
153.01958	3.7
153.05542	3.2
155.03545	16.8
164.01083	1.6
167.03456	2.3
168.00658	8.3
169.01434	100.0
170.01735	3.8
173.04558	10.3
183.02937	1.4
193.01418	2.6
197.04544	2.3
211.02510	22.7
215.39893	1.3
229.25661	1.6
271.04541	18.2
300.99896	1.6
313.05734	8.1
325.05521	1.6
331.06714	48.5
332.07022	3.0
351.53510	1.8
451.08691	6.5
469.09875	37.5
470.10211	3.0
487.10822	51.9
488.11053	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	487.125
Annotation	venturamide A
Peak:m/z	Relative Intensity
51.39091	1.6
55.01874	2.2
57.03445	2.6
59.01387	10.3
59.01624	1.7
61.90925	1.4
68.99818	1.9
69.32130	9.6
71.01372	6.0
71.05017	2.7
73.02949	11.1
75.00867	1.9
77.38550	1.4
81.42639	1.6
83.01370	5.5
87.00865	6.7
96.95983	2.2
98.08598	1.6
99.00884	28.9
101.02451	21.7
101.70448	1.6
115.00358	5.6
117.03484	1.8
149.09596	1.7
157.86102	1.5
159.03017	18.5
161.02435	1.7
205.08281	1.5
207.13829	1.7
211.96651	1.9
239.03586	1.9
266.05930	2.0
268.03763	22.4
269.04099	2.6
277.05011	3.2
278.05740	2.5
280.03915	3.5
281.04587	16.2
282.05264	9.2
283.06119	46.3
284.06509	3.8
291.06644	3.1
292.03702	2.1
293.04532	17.9
293.07742	3.4
294.05359	9.3
295.06198	7.4
297.07727	4.2
300.99469	1.7
303.06506	2.6
305.04568	2.4
306.05301	2.7
307.06058	3.3
309.07687	34.0
310.08017	3.1
311.09064	1.8
319.05981	3.8
321.04184	3.3
321.07593	2.8
322.04773	5.3
323.05627	2.0
325.06982	5.1
335.05557	4.5
337.07172	27.3
339.08624	3.7
347.05548	2.2
349.07382	2.0
351.08646	2.7
353.06671	31.1
362.04221	1.8
363.08765	11.4
365.06805	2.9
367.08008	2.1
369.09738	3.6
371.07669	4.3
377.06638	5.3
385.27203	2.1
393.09561	2.1
395.07474	3.5
411.10672	2.8
425.30457	6.4
429.26291	2.6
437.08966	2.8
443.31613	5.4
455.09900	30.7
456.09973	4.2
457.29419	2.9
469.16290	2.2
469.29953	3.8
487.18466	3.4
487.30548	100.0
488.30869	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	487.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57444	0.7
59.01386	7.3
61.98842	0.9
63.88091	0.9
68.43639	0.8
68.98375	2.2
68.98793	5.0
71.01388	1.4
73.02955	1.3
79.95742	52.9
80.96525	6.2
93.03480	2.3
95.01414	1.3
96.96009	7.4
100.55446	0.9
101.02463	1.7
108.02155	1.5
109.02985	1.6
117.05611	1.3
121.03004	2.2
122.03732	7.5
123.00885	5.4
123.04538	1.6
125.02471	3.2
125.72469	0.9
133.03024	1.3
135.04588	1.0
136.01695	1.4
137.02483	1.1
138.03249	2.7
146.03815	2.3
149.02455	15.9
150.03239	73.3
151.03670	2.4
153.01967	1.2
153.05623	2.0
161.02480	1.2
161.06097	1.5
162.03221	1.0
163.11343	1.8
164.04762	5.0
165.05577	81.9
166.05963	3.3
166.99883	4.1
169.01483	2.6
172.01657	1.0
177.05638	1.6
179.03549	1.2
179.07138	5.1
180.04324	5.1
181.03580	0.9
181.05173	3.4
182.02223	18.1
195.02953	0.9
195.06628	19.4
196.07399	2.6
197.04575	23.5
203.00291	1.7
203.07230	0.8
211.06201	1.0
211.09824	1.6
216.00670	1.8
229.01459	1.8
242.99353	1.4
244.00125	1.4
245.01262	21.9
257.01038	1.9
259.02808	12.5
266.99509	3.0
270.98923	4.5
275.02310	7.6
275.04865	1.0
276.02866	1.1
283.99741	2.7
285.00446	1.4
298.98483	4.9
299.99133	24.0
300.99899	22.9
302.00342	2.6
307.99902	1.5
309.00424	0.9
339.01550	1.1
344.12640	1.7
359.15448	2.4
382.38885	1.0
387.16821	1.0
407.00613	1.4
407.13773	2.5
425.01730	2.2
429.18048	2.8
469.00775	1.6
487.02512	25.3
487.13062	100.0
488.02243	3.1
488.13275	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	487.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
69.39323	2.7
69.39747	2.6
71.26359	0.9
74.32464	0.9
79.95741	42.9
80.96507	3.5
93.03476	1.1
96.96030	5.0
98.21772	1.6
106.53628	0.9
121.02961	3.1
122.03745	5.9
123.04494	1.0
129.44951	0.8
136.01582	1.1
146.03746	2.6
146.64755	1.0
147.45683	0.9
149.02452	30.3
150.03242	41.1
151.03539	1.2
161.06087	2.4
162.03207	1.9
164.04774	9.8
165.05580	42.6
166.05872	1.9
173.82770	0.8
177.05576	1.7
179.07170	7.4
180.04274	3.0
181.05026	3.1
195.06627	10.2
196.07358	3.2
197.08025	1.1
203.00201	3.6
211.09807	1.6
227.82874	0.9
229.01955	0.9
242.54556	0.9
245.01218	9.2
259.02808	13.4
262.30481	0.8
264.85764	0.8
275.02252	2.9
276.02615	0.8
300.10318	0.9
306.34195	1.0
344.12613	6.6
359.15063	14.4
360.15381	1.7
451.12460	2.1
456.48795	1.0
487.12833	100.0
487.30414	6.9
488.13187	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	487.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44183	1.4
59.01372	1.1
68.07588	1.1
68.99903	10.1
71.01412	1.8
78.26881	1.2
79.95742	77.0
80.96495	2.0
96.96027	18.2
98.95599	5.0
100.83611	1.1
101.59226	1.3
103.57107	1.2
107.25850	1.1
109.02947	2.6
119.01389	3.1
119.07742	1.2
120.99648	1.1
121.03006	1.8
123.00901	2.4
125.02451	8.5
135.00854	1.8
136.01677	1.5
137.02481	10.7
142.83156	1.2
147.00885	1.9
149.02428	1.5
150.03357	1.1
151.00354	2.0
151.04041	1.7
153.05589	2.1
165.01939	82.5
166.02432	1.7
166.06372	4.1
167.03502	1.9
169.01418	6.9
172.24609	1.2
177.01941	1.3
179.01913	1.3
179.03519	28.1
180.04294	51.4
181.04706	1.7
181.08727	4.0
182.05850	1.2
182.36670	1.1
194.05832	7.5
195.03148	2.8
195.06628	63.5
196.07045	2.7
201.39249	1.2
210.05350	12.9
211.02573	1.9
225.07703	33.6
233.01317	11.0
271.04617	3.2
301.07852	1.4
301.10773	6.1
308.15482	1.2
325.10931	1.9
329.10324	32.2
330.10675	2.1
344.12650	30.7
345.12997	2.6
359.15012	44.3
360.15363	3.4
407.17236	3.7
421.18893	1.1
451.09018	2.2
487.12784	100.0
488.13181	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1402
Annotation	Betulifol B
Peak:m/z	Relative Intensity
59.01387	1.3
61.98816	1.4
64.39523	1.1
69.18716	9.5
70.62012	1.3
83.01405	1.8
88.30338	1.6
93.03453	10.0
103.05537	2.1
105.03463	3.7
108.02241	1.3
109.02977	14.2
109.28177	1.3
111.27281	1.2
117.03467	2.2
119.05021	6.0
121.02962	4.4
123.04545	1.8
125.02444	2.9
133.02956	1.9
134.03763	3.2
135.04550	18.7
143.05025	1.5
145.02943	5.2
146.03761	10.0
147.04533	100.0
148.04825	3.3
158.03795	2.6
159.04524	18.4
160.04895	2.0
161.02431	3.8
161.06070	3.4
171.04468	5.3
172.05200	1.8
173.02480	6.3
173.06081	2.1
174.03294	2.0
175.04024	4.2
177.05540	6.7
187.03989	5.1
189.05603	15.9
195.08257	1.7
197.06093	3.2
199.04013	3.0
199.07751	2.2
201.05656	3.1
203.03488	2.5
215.03516	5.9
217.05017	2.7
221.06007	2.1
223.07675	1.8
225.05544	5.9
227.07242	1.6
229.05080	2.0
231.06644	18.7
232.07149	1.5
235.07661	1.6
239.07072	1.7
241.05086	2.0
243.06633	4.1
246.06664	1.5
247.07677	1.5
249.05568	2.0
253.05087	4.6
254.05878	2.9
259.40979	1.7
261.05682	1.8
263.07086	4.3
265.05069	2.9
265.08725	11.9
266.05737	3.8
267.06635	29.3
268.06989	1.7
269.08215	11.8
270.05502	1.3
273.59296	1.5
274.93286	1.5
275.07104	2.3
277.05093	5.4
278.05927	3.3
279.06674	1.9
281.08234	19.8
283.06064	1.6
289.08820	1.6
291.06552	4.4
292.07452	1.3
293.04520	3.4
293.08185	6.0
295.06174	10.1
296.06796	2.3
297.07419	2.2
304.07343	1.6
305.08243	13.6
307.06250	2.5
307.09790	1.5
309.07751	7.4
310.04889	1.6
310.08200	2.0
311.09247	6.7
317.08212	1.9
324.06393	2.0
325.01752	1.4
325.07190	3.4
333.07687	6.5
335.09265	12.1
336.09708	1.7
340.05859	4.8
347.09354	2.6
351.08752	18.4
352.09268	1.9
353.10205	12.7
354.10641	1.6
359.09244	2.3
365.10236	3.9
377.10303	5.9
385.10828	3.9
392.65918	1.4
393.09808	4.3
399.12656	1.9
401.10211	2.2
403.11932	27.0
404.12210	2.8
427.11798	20.1
429.09683	8.8
469.12924	38.9
470.13242	4.7
487.13983	82.9
488.14407	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00595	1.1
59.01385	30.6
61.98841	1.5
64.28854	0.6
67.01894	0.7
71.01389	16.4
71.29047	0.5
72.99304	1.9
73.02953	1.3
79.01880	0.7
81.03458	1.1
83.01387	1.8
85.02966	3.6
87.00892	0.7
89.02456	17.2
95.01385	2.8
97.02947	1.5
99.00895	0.9
101.02450	11.3
106.75475	0.6
107.01411	3.1
108.02207	0.7
109.02975	1.0
111.00880	2.7
111.08131	1.0
113.02456	7.2
119.03513	6.5
120.99638	0.6
123.00900	5.2
123.04566	1.2
124.01703	1.3
125.02460	18.8
126.02820	0.7
137.02451	2.4
139.00403	2.9
140.01173	2.3
143.76805	0.6
145.02980	0.7
149.02492	1.0
151.00378	4.1
153.01909	0.7
153.05580	0.9
155.07140	2.1
161.02460	1.1
162.41669	0.6
163.04021	1.0
165.01912	1.6
167.03448	1.0
168.00639	7.2
169.01436	24.0
170.01768	0.9
173.08182	1.9
179.05676	0.9
187.04034	0.8
191.05542	0.8
203.07166	0.7
211.02490	29.6
212.02803	0.9
220.48077	0.6
221.56178	0.7
235.06216	1.0
241.03476	0.8
263.09241	0.6
271.04617	42.7
271.61584	0.7
272.04971	2.5
272.23334	0.7
275.01917	0.9
281.10287	1.8
289.07114	3.7
300.99826	0.7
313.05630	1.8
330.69345	0.7
331.06680	4.3
335.13513	12.6
373.30032	0.7
420.04340	0.6
424.09772	2.1
451.12543	1.0
469.13617	3.7
487.14603	100.0
488.14783	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	487.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24685	0.8
58.00581	1.3
59.01094	1.9
59.01382	30.3
67.01905	1.0
69.57363	3.2
71.01380	16.7
72.99297	1.8
76.25725	0.8
76.40334	0.9
76.50655	0.8
83.01394	1.8
85.02951	3.6
89.02455	19.1
93.03442	1.6
95.01412	3.1
101.02453	12.3
102.37940	0.8
102.57711	0.8
105.25514	0.8
107.01399	3.5
110.48466	0.9
111.00891	2.0
111.08196	1.0
113.02446	7.9
117.15744	0.8
119.03515	7.8
123.00890	9.3
124.01685	4.4
125.02460	29.9
126.02824	1.5
127.00447	1.3
135.40022	1.0
136.98851	0.9
137.02406	2.5
139.00366	3.6
140.01180	2.1
149.99576	3.9
151.00392	4.4
155.07140	2.3
167.03517	1.1
168.00661	15.8
169.01427	30.6
173.08163	5.1
191.89282	0.8
211.02496	28.4
271.04599	27.8
272.04947	1.9
289.07227	2.1
300.99973	1.3
313.05725	2.3
331.06732	2.5
335.13501	21.8
469.13519	2.6
487.15067	100.0
488.15198	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	487.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98802	0.9
59.01384	25.6
70.49382	1.9
71.01385	14.8
72.99316	1.6
73.02972	1.4
74.99102	1.0
75.39384	0.8
83.01406	1.3
85.02969	2.9
89.02448	15.2
95.01430	2.0
96.95990	1.0
101.02461	10.4
107.01396	3.5
109.02972	1.2
111.00923	1.6
111.01904	1.0
111.04541	1.7
113.02469	6.8
119.03522	7.2
119.05048	2.2
120.99670	1.5
123.00926	4.7
124.01722	1.2
125.02457	21.4
131.03523	1.4
135.04562	1.0
137.02432	1.7
139.00389	3.7
139.04015	1.2
140.01163	2.3
141.01852	1.0
145.02960	1.3
151.00383	3.7
154.02716	1.5
155.07173	2.2
163.04037	2.2
164.69604	0.8
165.01974	1.5
167.03453	1.9
168.00670	7.8
169.01434	28.2
169.02834	1.7
169.05077	1.4
170.01776	1.6
173.08205	2.9
177.02028	0.8
211.02473	26.5
212.02774	1.4
228.25267	0.9
229.01498	1.0
241.03549	0.9
243.85713	0.8
261.63687	0.9
271.04614	41.9
272.04968	2.6
287.05737	0.9
289.07184	1.9
301.00110	1.5
301.03476	1.2
313.05774	1.1
313.60376	0.9
331.06461	4.6
335.13464	15.4
337.86957	1.0
343.04669	1.7
451.12662	1.0
469.13531	3.6
469.20825	1.0
487.14630	100.0
488.15063	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	487.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23997	0.5
52.06414	0.7
52.15028	0.5
57.03437	2.3
58.00595	1.3
58.57521	0.6
59.01381	3.8
71.01369	1.0
71.02917	1.0
71.05003	1.2
73.02957	3.4
74.96953	0.6
79.05531	4.9
80.13842	0.6
81.03453	3.5
83.01402	0.7
83.05028	2.3
85.02950	1.2
85.06609	0.6
87.00863	0.8
87.04506	0.9
95.04988	1.1
97.02949	1.0
97.06593	1.7
99.00889	0.7
101.06145	0.6
107.05048	0.6
109.02990	0.7
109.06564	1.0
111.04534	1.0
113.02453	0.9
123.04537	59.5
124.04890	2.1
125.02454	0.7
125.09732	7.1
135.04547	8.5
137.02477	0.8
147.08138	0.7
149.02444	1.2
149.08539	1.1
149.09737	17.8
157.08714	0.8
169.01422	0.7
187.09666	0.9
193.08708	100.0
194.09032	4.4
205.08714	22.8
206.08960	1.2
218.03302	0.6
297.97382	1.2
309.24503	0.8
312.99963	1.6
313.23810	4.0
313.27029	0.6
325.10873	0.9
325.14462	1.5
328.02148	1.5
337.07355	0.7
343.04483	1.9
343.26541	0.6
355.25833	0.7
373.16199	0.6
393.28143	1.1
395.29672	1.0
399.18195	7.8
413.30624	0.9
425.30881	3.4
429.09464	0.6
439.28534	0.9
441.30264	2.3
442.30283	0.7
443.17178	37.1
443.31653	7.5
444.17410	3.9
455.31555	3.2
467.31613	1.6
469.34250	3.3
485.32715	6.1
487.29865	20.7
487.34338	39.5
488.29285	1.4
488.34555	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	487.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20949	0.3
55.30844	0.4
55.55481	0.3
56.62013	0.4
59.01387	1.8
63.92886	0.4
69.04701	3.0
71.01385	0.8
73.02967	0.6
79.95747	1.8
85.02940	0.4
89.02471	0.8
98.21836	1.0
101.02458	0.6
106.74643	0.4
119.03488	0.5
123.00877	0.6
125.02423	0.8
137.02460	1.9
163.03993	2.5
164.04808	100.0
165.05165	3.2
179.07150	95.8
180.07468	3.8
182.05885	2.3
197.08145	1.3
247.08138	0.5
299.99207	0.7
300.99924	0.5
335.17221	0.9
487.01749	0.6
487.12051	1.1
487.18268	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	487.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59558	0.7
50.71153	0.7
51.25484	0.7
53.37793	0.7
55.01883	0.9
60.03933	0.6
60.39582	0.7
62.07406	0.7
69.06734	3.4
69.07167	3.3
71.05019	9.7
85.02946	3.3
85.06609	1.8
86.19707	0.8
87.04506	0.7
95.05037	3.4
97.02962	6.3
111.04534	12.3
113.06036	1.2
113.09740	2.7
121.08210	0.7
123.08168	2.1
137.06013	0.7
139.04030	100.0
139.13426	0.8
140.04359	3.0
141.05522	1.2
149.09746	1.9
149.36668	0.7
151.07756	1.7
154.86197	0.7
155.07167	2.1
163.04021	2.0
165.09254	1.6
167.07191	0.8
175.16391	0.7
179.07164	1.8
179.22517	0.7
181.08731	12.5
183.06659	1.7
193.08698	15.4
194.09081	0.8
195.06628	8.4
197.08221	9.4
205.05106	1.4
209.08124	3.8
217.12334	3.3
219.06619	1.8
219.13968	2.5
223.06168	3.3
233.08369	0.8
245.11890	1.7
251.09256	39.3
252.09673	2.1
261.14862	4.8
263.12897	46.3
264.13290	1.3
275.09299	5.6
278.95840	0.8
289.10858	4.8
290.11584	7.8
291.12305	1.9
303.12421	2.8
305.13953	2.7
317.13986	0.8
371.18607	1.7
375.18222	2.9
417.45929	0.8
443.20963	4.8
444.21286	0.9
459.21021	1.0
487.19812	10.9
487.23825	6.5
487.34372	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	487.1973
Annotation	Terretonin
Peak:m/z	Relative Intensity
50.32988	1.6
76.01295	1.9
79.01902	2.1
81.87444	1.6
88.10738	1.9
111.04533	8.7
115.90957	1.6
123.08183	4.5
125.02450	4.7
149.09753	2.9
151.07597	3.2
154.00581	1.7
163.07721	2.1
165.09247	3.2
177.05605	11.0
179.07132	6.7
193.08731	9.8
195.06635	52.2
196.06940	3.2
205.04947	2.5
207.06619	8.1
217.12292	9.4
219.13959	9.4
223.06108	32.2
224.06863	5.9
225.07707	24.1
228.34093	1.8
235.13443	4.2
250.11353	2.0
263.12903	81.9
264.13104	4.9
280.96170	1.8
283.41760	1.9
345.37607	1.8
487.19733	100.0
488.20023	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	487.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
69.24876	8.1
69.25285	3.4
71.05003	1.5
81.03444	1.9
81.13186	1.7
85.02944	3.9
85.06589	4.0
87.04530	5.7
95.05047	2.1
97.02937	1.9
109.02962	3.8
110.36224	1.4
111.04527	34.8
113.09725	1.8
123.08160	7.3
125.02489	2.0
125.06142	2.7
133.06830	1.6
139.04007	7.7
139.07640	3.8
151.07664	4.4
153.09319	2.1
165.09253	6.1
167.03398	3.5
167.07178	3.8
177.05536	1.9
179.07196	5.6
179.10794	1.8
181.08754	10.3
183.06660	2.7
184.42107	1.7
191.07162	2.0
193.08730	7.5
193.12424	1.9
195.06648	13.2
197.08165	3.5
205.08701	4.7
207.06668	4.1
209.08209	17.5
210.08627	2.1
217.12373	3.9
219.13986	2.0
221.08183	2.8
223.06172	5.0
225.07625	4.2
231.06770	2.3
233.08165	1.9
248.06955	5.7
249.14966	5.6
251.09283	21.1
251.12939	35.3
252.09572	2.1
259.06024	1.9
259.99496	1.6
261.07690	3.8
261.11234	2.0
263.12869	20.5
275.09738	1.7
275.12976	8.5
283.75690	1.6
287.16638	3.2
288.09921	1.7
289.14511	1.7
291.12338	1.9
294.67795	1.7
299.12988	4.4
301.10928	3.8
302.18292	1.8
303.12402	2.2
305.13959	3.9
314.08362	2.1
317.13934	3.4
323.26041	3.7
329.10464	3.2
331.11938	2.7
331.15488	10.0
355.15567	4.5
357.09778	3.2
369.17276	2.3
373.16721	5.2
387.18497	2.5
399.14554	3.3
399.21948	3.6
399.36569	2.9
409.31348	1.8
425.20099	3.2
443.20767	100.0
443.35223	33.7
443.40866	2.9
444.21283	10.5
444.36026	5.3
469.33301	2.0
487.19983	18.0
487.34396	99.5
488.34573	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07279	1.7
59.01384	60.5
61.98828	6.8
71.01391	13.1
71.28993	2.0
71.29391	2.6
72.87025	1.4
73.02961	11.4
74.99078	2.5
79.95738	15.0
83.01410	2.9
85.02963	4.2
87.00865	1.6
89.02471	6.9
96.96021	4.4
101.02458	10.8
102.50744	1.5
109.02980	2.8
113.02462	5.9
116.71684	1.7
117.05589	15.0
119.03510	3.9
123.04542	3.3
125.02462	6.6
137.02434	2.9
138.03253	9.4
142.19714	1.5
153.01930	1.7
153.05595	6.0
161.02560	1.8
161.04596	1.7
163.04031	2.6
163.11272	3.7
164.04808	100.0
165.05261	4.4
167.03523	5.4
169.01450	2.6
179.07152	92.1
180.07462	3.7
182.02257	1.9
182.05836	8.2
197.08243	12.7
199.03867	1.7
207.10362	11.3
216.00667	2.4
228.73163	1.6
242.99345	2.2
259.04358	2.9
270.98782	3.3
273.04077	2.0
281.06674	2.1
283.99759	2.8
289.07285	3.2
298.98358	4.5
299.99112	20.0
300.99896	16.9
337.53729	1.5
369.15656	6.1
387.16602	18.4
425.01526	3.1
429.17712	31.8
430.17923	2.8
469.00479	2.7
469.20859	6.7
487.01822	23.2
487.12692	14.4
487.22150	50.7
488.21704	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94491	0.4
66.57071	0.5
67.50241	0.7
79.01924	0.9
80.61176	0.6
85.06614	1.3
87.04523	0.5
93.07115	0.6
95.05033	3.5
96.11902	0.5
97.02979	0.8
107.08665	1.0
111.04522	3.0
112.33904	0.5
120.05890	0.6
123.08151	2.5
125.06110	3.5
125.09766	1.2
131.38794	0.6
137.05956	0.6
137.09756	1.4
138.03282	1.3
139.04059	1.4
147.08237	0.5
149.09746	3.6
151.07631	3.4
163.11247	1.2
165.09198	3.0
175.07658	1.3
177.12801	1.1
179.07095	0.9
179.10849	2.1
191.03610	0.8
191.50266	0.5
193.08710	14.6
194.09274	0.7
203.10620	0.5
204.04280	1.6
205.05122	1.6
207.10321	1.1
209.08171	5.6
217.12332	5.3
218.12859	0.5
219.06630	3.6
219.13907	5.2
223.09769	5.4
231.13876	4.0
233.08073	2.4
233.15457	4.2
245.11844	1.2
247.09738	1.1
259.13208	1.1
263.12894	91.8
264.13193	5.3
277.14459	100.0
278.14771	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	487.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01269	0.4
57.03433	1.3
70.61845	0.9
70.62189	0.5
71.05020	8.5
83.01361	1.0
85.02944	2.4
85.06582	1.4
95.05033	1.6
97.02950	5.2
109.02918	0.6
109.06586	0.9
111.04536	7.4
113.06067	0.9
113.09744	2.5
121.03009	0.6
123.08192	1.0
125.06072	0.9
135.04477	0.8
137.02545	0.4
137.06053	0.4
139.04021	100.0
140.04372	2.2
148.01654	0.4
149.09737	0.9
151.07661	0.8
152.64162	0.4
155.07150	1.6
163.04044	1.6
165.01944	0.5
165.09236	2.3
169.06767	0.4
179.07190	2.3
181.05190	0.5
181.08723	15.1
182.09079	1.2
183.06760	0.5
193.08691	12.1
195.06606	2.3
205.12321	0.8
207.06657	0.5
207.13905	0.4
209.08195	11.2
209.14418	0.4
210.08574	0.9
217.12346	0.8
219.13933	1.7
221.08257	0.6
221.15521	1.2
223.06142	4.5
224.06647	0.5
225.07635	0.7
233.08237	0.6
237.07782	0.5
237.18602	20.0
238.19025	1.2
245.11670	0.4
249.14969	0.8
251.09245	38.1
252.09579	1.8
263.12891	15.7
263.15616	0.9
264.13434	0.7
305.13953	2.7
320.93335	0.4
331.11899	10.0
332.12164	0.6
375.13803	0.7
375.18167	3.6
487.24173	9.7
487.34436	14.5
488.23788	1.4
488.34665	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	487.307
Annotation	CHEBI:70313
Peak:m/z	Relative Intensity
57.03458	3.2
58.06212	0.6
59.01351	2.1
69.03411	2.5
70.22088	1.7
71.01350	0.7
71.04988	2.0
73.02915	2.2
83.04971	1.2
85.06540	0.7
95.04991	1.0
97.06539	2.0
103.22771	0.7
111.04485	0.7
111.08106	2.0
123.08118	0.8
125.09759	0.8
137.05881	0.7
233.15352	1.4
248.24881	0.6
278.00195	0.6
321.21927	0.7
329.98682	0.8
341.24564	1.9
369.27945	1.0
371.25522	1.3
383.29309	1.1
395.29361	0.7
407.29297	0.8
425.30765	3.4
441.30243	3.0
442.30505	0.6
443.31787	19.8
444.32187	1.4
457.28903	1.4
469.32816	2.9
469.58713	0.8
487.30209	100.0
488.30536	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	487.3071
Annotation	CHEBI:70313
Peak:m/z	Relative Intensity
58.00589	1.7
69.40047	2.3
69.40456	3.6
73.02950	2.8
82.89964	0.9
90.50245	0.8
98.22605	1.3
111.45336	0.9
217.31873	1.1
356.15057	1.0
372.71646	1.2
397.31100	1.2
399.32581	5.2
415.32187	84.3
416.32675	9.7
425.30386	2.1
443.31616	30.7
444.31848	3.7
455.31186	1.2
469.33176	4.5
485.32733	1.5
487.30722	100.0
488.30957	10.9
488.35059	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	487.3072
Annotation	CHEBI:70313
Peak:m/z	Relative Intensity
57.03439	1.9
58.00577	1.2
59.01363	3.3
59.57234	0.7
70.41598	1.6
71.01385	1.3
71.05002	1.0
73.02596	0.8
73.02953	13.3
83.05015	0.8
85.02940	1.2
87.00867	0.7
97.06564	1.4
99.00848	2.1
101.02421	1.7
127.04496	0.8
159.02998	1.4
184.14748	0.8
243.43874	0.8
268.03900	1.2
281.04462	1.5
283.06049	2.1
293.04495	1.6
309.07623	2.7
325.06796	0.9
337.07086	2.2
344.00955	0.9
353.06454	2.0
354.06320	0.8
369.27975	1.0
395.29816	1.0
399.28790	0.9
413.30444	1.8
425.30704	1.2
443.32306	3.9
455.09589	1.6
457.29504	2.2
487.30441	100.0
488.30685	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3433
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
50.83122	0.4
52.09826	0.4
52.58125	0.4
59.44174	0.4
64.82417	0.4
64.87205	0.4
73.02940	1.4
83.05045	0.5
111.04546	0.8
125.06105	0.9
144.01871	0.4
181.08772	0.6
183.06616	2.7
191.29564	0.5
207.06705	0.8
209.08249	3.1
221.21622	0.5
225.07658	2.4
319.12106	0.7
329.69016	0.5
423.32727	0.8
425.34341	0.7
441.33578	0.9
443.35373	8.4
444.35663	0.8
469.32693	1.6
487.34396	100.0
488.34726	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3432
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
57.03439	0.9
59.41409	0.5
69.03463	0.7
69.07976	4.9
71.05010	0.6
72.93066	0.5
85.02955	2.9
85.06605	0.9
95.01453	0.5
95.05051	1.8
107.33562	0.5
111.04518	4.0
113.02445	1.9
113.06129	0.6
139.03925	0.6
155.07184	0.9
165.09247	1.3
179.07138	1.0
181.08707	0.8
183.06627	16.5
195.06534	1.1
207.06622	1.5
209.08145	4.8
223.05977	0.6
223.09859	1.0
225.07697	10.0
232.44299	0.5
239.09209	1.2
251.09268	0.7
263.12900	0.6
277.10745	0.6
287.20038	0.5
331.12103	0.8
405.31641	0.7
421.93719	0.6
423.33124	1.0
425.34766	2.5
426.34393	0.6
443.35312	29.4
444.35800	3.5
453.33017	0.6
469.18768	2.2
469.33353	3.5
470.33627	0.6
485.33032	2.6
487.19720	7.6
487.34366	100.0
488.19833	1.5
488.34717	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
61.74276	0.3
66.46550	0.3
69.17579	2.1
90.29226	0.3
90.42897	0.3
107.39886	0.3
319.83548	0.3
379.63165	0.3
409.31122	0.8
413.34131	0.3
414.63687	0.3
457.33441	0.7
487.34348	100.0
488.34698	12.1
488.40195	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87244	1.0
53.93210	0.9
56.38031	0.8
58.76999	0.8
69.11700	4.3
69.12153	2.8
83.71719	0.9
85.02968	1.3
90.46525	0.9
97.06589	4.1
111.04536	1.1
145.17822	0.9
159.42274	0.9
181.08691	1.1
183.06586	4.5
191.14514	1.1
223.09787	1.1
225.07712	2.2
368.47638	0.9
389.28503	2.1
391.30164	4.0
405.31723	5.9
406.32278	1.1
407.33231	10.2
408.33414	1.7
409.31131	1.2
423.33075	1.9
425.34485	1.2
439.32297	1.7
439.85342	0.8
441.33774	19.3
442.34155	2.8
449.30579	2.0
451.32220	16.7
452.32703	1.6
453.33759	100.0
454.34116	11.8
467.31750	2.5
469.33130	3.2
471.34860	1.7
473.74500	0.9
487.20074	1.2
487.34586	17.5
488.34985	1.9
492.87552	1.1
497.32822	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3431
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
59.57625	0.3
62.33918	0.4
69.24962	2.7
73.84595	0.4
77.54499	0.4
83.05080	0.4
85.02959	1.7
89.08059	0.4
95.05049	0.6
97.06522	0.4
99.08153	0.5
105.19318	0.4
109.02949	1.1
111.04541	1.9
111.08145	0.6
114.00091	0.4
116.14406	0.4
123.08157	0.9
125.02431	0.9
125.06084	0.9
139.04025	3.5
151.07628	1.0
158.84959	0.4
165.09190	0.8
167.03502	0.8
167.07149	1.0
169.08720	1.2
179.07185	0.6
181.08705	1.5
193.08719	4.6
195.06628	4.2
197.08226	0.8
207.06561	1.1
207.13907	0.4
209.08205	3.0
210.08591	1.0
210.56068	0.5
211.09738	1.2
217.12296	0.4
223.06055	1.3
223.20717	1.7
225.07651	1.4
237.07715	0.8
243.36201	0.4
248.06989	0.6
249.07758	0.4
251.09286	4.8
251.12846	1.6
263.12881	3.9
275.12888	1.8
276.13217	0.7
277.13867	0.5
305.13971	0.9
383.29407	0.5
399.36267	4.2
400.36993	0.7
407.33197	0.9
409.31219	0.8
425.34210	2.5
443.35309	43.1
444.35648	5.9
462.37061	0.4
469.33127	2.5
487.18478	3.3
487.34323	100.0
488.34683	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	487.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
69.53227	3.6
73.02931	2.0
73.56075	0.8
85.74410	0.9
95.43382	0.8
160.42624	0.9
185.57437	0.9
209.08180	0.8
399.99826	0.8
410.81879	0.9
438.83426	0.9
443.31870	1.7
447.15146	0.9
487.34494	100.0
488.34821	11.3
491.95416	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3433
Annotation	Sodwanone D
Peak:m/z	Relative Intensity
57.03443	0.7
60.99311	1.2
70.25690	1.8
85.85851	0.7
89.89410	0.6
90.11192	0.7
97.06592	1.0
99.81008	0.6
237.57838	0.7
251.03543	0.6
337.02045	0.6
351.26993	1.9
369.28375	0.8
393.31662	2.2
399.32715	1.8
415.32178	16.6
416.32462	1.5
423.32928	4.9
425.30658	1.7
443.31415	7.4
444.31818	1.2
469.33347	4.3
470.33542	0.8
487.35034	100.0
488.35181	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	487.3434
Annotation	2-Epitormentic acid
Peak:m/z	Relative Intensity
51.18826	1.0
59.01388	1.2
60.46416	1.0
69.16648	2.9
69.17062	4.2
71.05009	1.8
73.02941	1.7
81.89100	1.0
90.48882	1.0
91.72757	1.3
97.06605	2.1
101.44974	1.0
104.80670	1.0
111.08141	1.3
111.44296	1.0
146.17189	1.1
183.19382	1.1
313.11017	1.0
345.76282	1.2
378.49576	1.1
399.32761	1.8
407.29486	2.1
423.32629	9.7
424.33035	2.1
425.29938	1.9
425.34839	2.3
427.32309	1.5
443.35400	3.3
457.15399	1.0
458.27484	1.0
469.33298	84.8
470.33737	7.8
487.34735	100.0
488.35083	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	487.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29928	0.3
70.94035	0.5
73.02946	0.8
82.54065	0.3
120.98377	0.3
150.65443	0.3
278.23502	0.4
423.32889	0.6
425.34457	0.5
441.33664	4.5
443.35345	9.8
444.35638	1.0
469.33322	1.3
487.34280	100.0
488.34683	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	487.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.9
58.00582	2.8
73.44958	0.8
74.31242	0.6
83.05017	0.8
97.06577	1.7
98.22556	2.8
111.08166	6.2
115.69328	0.7
116.82133	0.7
153.09264	0.8
173.08209	2.3
219.11682	0.8
229.22441	0.8
331.24969	2.5
371.27655	0.9
389.28455	4.2
405.31857	0.9
406.28738	3.7
407.29611	2.2
421.31204	3.6
423.32797	9.4
439.28323	1.3
462.01144	0.6
469.33246	62.4
470.33591	7.4
487.34235	100.0
488.34558	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	487.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47647	0.3
59.01381	0.3
64.41134	0.3
65.41729	0.3
70.85366	0.4
73.02950	0.6
121.96507	0.3
214.23080	0.3
242.53334	0.3
251.20123	3.4
253.09354	0.5
425.34238	0.7
441.33725	0.8
443.35345	6.0
487.34341	100.0
488.34665	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	487.3431
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
57.03434	1.2
68.39576	0.4
71.01369	1.2
72.02150	0.9
73.02642	0.4
73.02957	4.8
79.63893	0.5
86.45641	0.4
87.04518	2.7
98.22623	0.9
119.70048	0.4
122.47234	0.4
209.08206	1.2
228.07309	0.4
235.93675	0.5
263.12918	1.0
392.83197	0.6
397.30988	2.3
399.32776	1.9
413.34219	1.4
415.32120	3.1
425.34445	1.2
443.35529	1.4
487.34344	100.0
488.34662	10.3
488.41330	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.343
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99319	1.3
63.45508	0.7
70.94360	1.4
71.05009	1.2
97.06597	2.8
104.10717	0.7
162.83015	0.7
162.93698	0.9
171.04282	0.7
191.14368	1.2
239.35776	0.7
312.17194	0.8
374.25800	0.9
389.28641	1.9
391.30170	2.7
393.27930	1.3
396.05283	0.7
405.31497	5.7
407.33325	12.5
408.33395	1.2
409.31052	1.9
423.32822	2.8
425.34537	3.4
439.32153	1.1
441.33752	14.6
442.34125	1.4
449.30832	2.4
451.26193	1.3
451.32175	18.7
452.32697	2.0
453.33746	100.0
454.34073	12.3
459.34967	0.9
467.31604	3.8
469.33139	4.0
471.34988	1.4
485.32819	2.2
487.34552	21.0
488.34857	2.8
497.32410	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84644	0.6
56.58762	0.6
97.06590	0.6
125.09776	0.8
135.63472	0.6
211.57382	0.6
254.09908	0.8
274.52390	0.6
278.52594	0.6
311.11740	0.7
397.34766	19.3
398.35107	1.9
425.34482	1.9
441.33740	6.0
443.35364	34.4
444.35852	4.8
469.33478	1.3
487.34390	100.0
488.34854	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3434
Annotation	Lycoclavanin
Peak:m/z	Relative Intensity
52.20710	2.0
53.93542	2.2
60.99309	9.7
69.06797	19.6
90.01904	2.2
90.30859	2.2
97.06592	12.6
98.20880	2.0
180.62067	2.2
217.15987	2.5
229.12589	2.3
276.59692	2.3
333.53229	2.4
391.26111	2.4
397.09476	2.3
405.31659	17.3
407.29959	2.5
407.33640	25.0
408.33392	3.2
409.31418	7.6
421.31348	3.5
423.32941	13.8
425.34238	11.2
441.33667	35.9
441.38589	2.9
443.35284	32.7
444.36163	3.3
445.86285	2.5
451.32501	9.4
453.33514	30.7
454.34024	4.7
455.34396	12.3
467.31662	42.4
468.32266	3.5
469.33469	12.5
485.33063	3.1
487.34549	100.0
488.34744	14.7
501.00034	2.5
513.32660	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	487.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25187	0.4
58.00585	0.4
64.43645	0.4
67.96576	0.5
69.98089	1.5
75.20051	0.4
85.06577	1.0
95.05025	0.8
99.73534	0.4
111.00938	0.4
111.04533	4.8
123.08158	0.8
125.09709	1.2
127.11298	8.0
130.37589	0.4
139.11310	0.4
143.10783	1.6
151.07645	0.8
151.90874	0.4
155.10811	4.6
157.12329	3.8
163.07684	0.5
165.09253	1.2
171.10307	2.9
173.11836	54.7
174.12209	1.6
179.07202	1.9
181.08820	0.6
183.06618	1.5
187.13435	1.4
193.08652	0.6
195.06615	2.0
201.11345	1.5
207.06631	1.2
209.08194	4.0
217.12468	0.5
219.06798	0.5
219.13895	0.5
223.06123	3.0
225.07770	1.2
248.06871	0.8
252.68353	0.4
261.54745	0.4
263.12866	3.9
288.10007	0.6
291.12448	0.5
295.22815	1.5
311.22415	0.5
313.23859	9.9
314.24234	0.7
329.23346	4.6
331.12177	2.3
331.15887	1.1
331.24911	47.5
332.25174	3.2
358.31934	0.5
423.32669	0.6
425.34656	0.5
443.21140	0.8
459.20377	0.5
487.20676	5.8
487.36444	100.0
488.20313	1.1
488.36813	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	488.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	3.8
68.50671	2.8
68.98235	22.5
68.98634	6.4
71.01377	3.7
74.82282	2.8
77.91093	2.7
101.02460	3.0
102.05611	40.6
127.05154	3.8
128.03563	34.6
145.06186	32.9
146.03441	6.2
146.04613	100.0
146.06520	8.8
177.69899	2.7
245.51965	3.1
341.10757	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	489.0646
Annotation	Bazzanin B
Peak:m/z	Relative Intensity
50.06673	0.9
54.63560	1.1
59.01383	5.4
69.15444	7.3
69.15782	1.5
71.01376	4.3
85.02946	2.9
89.02444	1.3
95.01391	2.4
97.02948	2.4
101.02441	1.9
107.01366	2.3
108.02182	24.2
109.02982	9.2
111.00880	3.3
113.02493	2.1
123.00889	4.0
123.04502	2.3
124.01662	2.8
125.02454	20.1
126.19083	1.1
129.01880	1.0
131.16176	1.0
137.02458	2.6
139.00362	4.0
140.01169	2.6
149.02477	1.7
151.00346	2.2
151.03999	2.1
152.01161	17.1
153.01949	29.7
154.40555	1.1
160.29092	1.0
161.02428	1.0
163.04044	1.3
165.01904	6.8
165.05606	1.3
168.00648	4.8
169.01447	28.2
175.00162	5.2
178.99622	2.4
179.03670	1.1
181.01476	2.1
181.05034	1.2
188.98117	2.0
190.99602	6.7
193.01257	6.9
203.03479	1.1
211.02464	6.0
221.97800	1.6
222.98653	7.0
233.00671	1.9
235.02115	1.3
237.00133	2.4
241.03467	2.2
258.91733	1.1
263.82593	1.1
267.07034	1.0
271.04556	1.7
297.06259	1.7
300.99945	1.1
313.05740	3.8
315.07181	2.0
337.05350	1.7
429.21423	2.0
444.15363	1.0
445.07520	1.8
489.06494	100.0
490.06781	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	489.104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21234	0.6
57.03468	1.5
59.01383	13.1
61.98820	1.1
64.96159	0.7
69.03448	0.8
70.92709	0.8
71.01392	14.1
71.29245	1.2
72.99313	1.7
73.02936	2.4
75.00871	2.9
79.01916	1.3
85.02956	11.6
87.00883	3.3
89.02443	2.2
95.01391	3.1
95.05011	0.8
97.02981	1.4
98.06036	0.7
99.00885	4.8
99.92606	5.1
101.02451	2.2
103.00369	2.3
108.02238	0.9
109.03002	1.0
113.02462	14.5
116.92872	54.6
117.01961	1.5
117.92879	2.2
121.02979	5.5
125.02464	0.8
129.01974	1.3
132.02196	2.2
133.02933	0.7
134.03769	1.0
136.01685	1.5
137.02446	1.3
149.02364	1.4
151.03992	1.0
157.01312	0.9
164.01193	1.6
165.01953	7.3
171.10304	0.9
175.02483	2.5
177.01962	1.6
178.02690	2.5
179.30499	0.8
193.05110	1.0
199.70119	0.7
209.08313	1.4
210.86116	0.7
211.04071	0.8
217.01808	0.8
225.05656	1.0
239.03485	1.8
241.05066	6.5
242.05647	0.9
255.02953	2.3
268.07410	1.8
269.04553	22.5
270.05295	3.4
283.06085	1.6
283.08969	0.9
285.07803	0.9
297.04071	3.2
297.07416	1.4
298.04834	68.5
299.05200	3.8
311.05847	0.9
311.09189	1.7
312.06409	7.2
312.10040	5.1
313.07199	100.0
314.07556	6.3
327.08667	9.5
327.12405	18.7
328.12747	1.2
341.10388	2.1
443.35635	0.9
453.23865	0.8
474.15945	0.9
489.10550	3.4
489.17612	9.1
489.31952	14.8
489.35974	17.2
490.31799	1.3
490.36624	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	489.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01350	0.9
60.56479	0.3
69.04138	1.2
69.04556	2.1
73.02911	0.5
79.86275	0.7
80.42539	0.4
98.22538	0.8
101.02419	0.5
123.04467	0.5
133.02953	0.4
135.04565	0.5
140.23010	0.4
169.01454	0.4
177.01933	0.7
179.03458	0.8
207.10213	0.6
209.08136	1.0
255.06476	0.4
255.26746	0.4
269.04529	0.7
283.06116	8.3
284.06915	21.3
285.07263	1.5
295.06232	0.4
297.04144	0.5
297.07700	3.3
311.05609	2.5
312.06403	95.6
313.06946	11.5
325.07224	3.9
327.08746	100.0
328.09113	6.4
337.07532	0.7
408.13416	0.5
489.13885	1.0
489.25864	0.5
489.32236	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	489.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52485	2.3
51.68000	2.2
51.91569	2.3
54.04612	2.0
57.03432	3.1
59.01375	18.5
59.51500	2.2
65.82133	2.6
69.31406	5.8
69.31800	8.1
71.01385	100.0
71.08912	2.1
72.99313	29.4
85.02908	2.4
87.00881	35.8
89.02455	13.4
98.22507	3.4
101.02448	5.2
113.02465	3.2
115.00383	24.3
119.30010	2.6
129.01935	8.6
147.03001	89.7
179.05585	9.2
191.05641	2.3
275.50571	2.3
289.97559	2.5
331.58878	2.5
341.10831	26.1
385.32346	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96106	2.3
58.00577	3.8
59.01382	85.1
62.41829	2.4
70.63878	5.4
71.01386	67.2
72.99319	4.8
75.18086	2.1
76.73375	2.0
85.02950	8.7
87.00855	4.6
89.02450	100.0
91.05527	2.1
95.01353	3.4
101.02450	31.0
103.05508	2.9
105.03488	3.0
109.02959	3.4
113.02456	27.7
114.98869	2.2
118.58340	1.9
119.03515	35.9
119.04971	4.4
125.02473	5.9
131.03514	7.1
141.24030	2.3
142.20851	2.3
143.03506	11.4
147.04529	48.0
149.04599	4.4
161.04616	11.8
165.05605	2.7
168.59146	2.3
169.01457	2.9
179.05621	69.9
285.43253	2.2
352.66345	2.9
373.40735	2.5
453.10464	3.2
489.06070	3.1
489.15640	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1771
Annotation	5-Hydroxy-7,4'-dimethoxy-6,8-di-C-prenylflavanone 5-O-galactoside
Peak:m/z	Relative Intensity
59.01368	1.0
69.13664	4.3
69.17744	0.7
95.09639	0.8
97.99204	0.7
98.21776	1.0
98.35690	0.6
104.17924	0.7
116.92871	6.1
121.02970	1.9
145.02960	4.9
146.03810	1.4
148.05370	1.5
149.06085	6.4
161.06068	2.1
163.07668	2.3
167.93312	0.7
172.58496	0.6
191.07106	1.2
221.09825	1.1
237.09227	2.2
238.10036	8.5
249.09218	3.7
253.08818	0.8
265.08698	7.0
266.09531	6.8
267.09784	0.8
277.08743	8.4
278.09485	15.9
279.06976	1.1
279.10184	4.3
281.08255	4.1
282.08997	31.1
283.09341	1.9
292.07434	2.0
293.08215	21.4
294.08994	40.0
295.09268	2.0
297.11337	55.8
298.11761	4.1
309.11337	100.0
310.11673	7.0
317.49487	0.7
327.12418	9.0
328.12839	0.9
459.16644	7.0
460.15906	0.8
471.16504	6.0
489.17776	7.1
490.18097	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	489.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.5
59.81366	0.5
62.27064	0.5
69.07304	3.9
71.01366	0.9
76.25587	0.5
76.89439	0.6
92.73317	0.5
101.02418	0.6
108.02210	0.7
116.92846	2.0
117.54447	0.5
121.02939	1.8
134.03711	1.2
145.02974	4.5
146.03738	1.3
148.05305	1.1
149.06097	5.3
152.87891	0.5
160.05342	0.9
161.04724	0.5
161.06075	2.0
162.06874	0.6
163.07639	2.3
172.05327	0.9
182.04680	0.5
182.44804	0.6
190.06371	0.9
191.07138	2.0
193.05069	0.8
203.07243	0.6
208.05368	0.7
220.08856	0.8
221.09901	0.8
225.05568	1.6
227.73004	0.6
237.05527	0.9
237.09196	1.4
238.06303	0.8
238.10022	8.2
241.05092	0.9
249.09138	2.9
253.05043	3.1
253.08690	0.9
264.07877	1.2
265.08679	7.5
266.09464	6.6
267.06833	0.8
277.08710	8.3
278.09473	11.7
279.10077	4.6
281.08173	4.1
282.05698	0.9
282.08972	31.2
283.09344	2.8
292.07550	4.4
293.08200	19.5
294.08990	44.5
295.09296	2.4
297.11328	64.0
298.11667	3.9
309.11337	100.0
310.11682	7.7
326.11758	0.8
327.08997	0.8
327.12418	7.2
357.85071	0.6
459.16733	4.2
460.17096	0.6
471.16580	3.8
472.16937	0.6
489.17215	3.5
489.32547	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09691	0.1
57.03449	0.6
58.00342	0.2
58.00600	2.1
59.01385	3.9
68.99065	0.2
68.99468	1.0
71.01385	2.0
72.99300	0.2
73.02951	13.4
83.01405	0.2
84.02183	0.2
85.02967	1.1
87.00876	0.3
87.04494	0.2
89.02456	0.9
95.01392	0.1
95.34976	0.1
97.02968	0.2
99.00919	0.1
101.02440	0.9
108.18114	0.1
109.02953	0.2
111.00934	0.1
111.04496	0.1
113.02451	0.3
113.06165	0.1
117.05584	0.2
119.03524	0.3
120.99664	0.2
121.02983	0.2
125.02464	0.2
133.02968	0.2
134.03761	0.4
135.04520	0.5
139.11296	0.3
145.02950	0.9
146.03835	0.2
147.04575	0.2
149.06033	0.2
155.10732	0.2
161.02524	0.1
161.04539	0.2
163.04002	0.2
163.07608	0.2
167.07126	0.4
175.03978	0.2
176.04784	0.1
183.10265	0.5
190.06349	1.1
191.07103	0.5
211.07556	0.2
225.09286	0.2
238.09915	0.1
239.07426	1.0
239.10902	0.1
243.12378	1.2
253.05078	0.3
253.08766	0.3
259.07513	0.1
265.08762	0.4
266.05878	0.2
267.06638	1.3
267.09253	0.1
267.10629	0.2
268.07370	1.4
269.07974	0.1
277.08755	0.6
281.08224	1.2
282.09015	0.4
283.09891	0.4
285.13577	0.3
293.08356	0.2
294.08963	0.8
295.09827	0.5
297.11328	0.5
300.06354	0.6
309.11316	0.5
311.09232	0.2
312.06674	0.2
312.10019	1.3
313.10809	1.2
325.25189	0.1
326.11459	0.6
327.08737	0.4
327.12344	4.0
327.27057	0.4
328.12637	0.3
339.26971	0.7
340.27457	0.1
341.10269	1.0
345.15598	0.4
351.27026	0.4
353.28494	0.2
355.11905	0.3
365.28143	0.2
367.30136	0.2
371.25894	0.2
377.28555	0.5
381.28159	0.2
383.29578	0.8
385.31223	0.3
389.28336	0.2
395.29645	0.4
401.12918	0.6
405.17795	0.2
413.30768	0.6
415.27509	0.2
415.32672	1.4
416.32687	0.3
425.30789	0.3
427.32285	0.5
443.31973	0.3
445.28699	0.1
445.33417	1.6
446.33911	0.2
457.14951	0.3
474.15366	5.2
475.15591	0.5
489.17715	15.1
489.32236	100.0
490.18051	1.5
490.32574	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	489.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.9
58.00581	3.9
58.99400	2.8
59.01379	100.0
71.01379	40.3
72.99313	5.8
73.02949	10.8
85.02951	12.4
89.02454	54.7
99.00893	3.4
101.02432	22.9
106.38506	3.4
108.02157	3.8
113.02451	13.7
119.03506	17.3
120.99707	3.3
121.02924	3.1
131.03494	3.8
134.03763	2.9
137.02461	6.6
139.11272	4.8
143.03488	3.0
147.04500	4.0
149.06085	6.9
161.04712	3.4
168.41518	2.9
172.05360	9.9
173.06110	2.9
174.76141	2.7
179.05637	7.8
181.12291	4.0
183.10304	4.0
193.08669	12.3
201.11363	3.1
238.09943	5.3
251.07056	4.0
265.08731	5.0
271.02594	4.7
273.65948	3.6
277.08759	8.8
278.09406	11.8
279.06741	3.9
279.10107	3.3
282.09158	3.1
293.08191	15.0
294.08990	47.5
295.09354	4.6
297.11353	6.3
300.02701	8.5
309.11365	80.5
309.20920	3.9
310.11642	11.1
312.09747	3.9
313.07321	3.1
327.12347	43.9
334.47220	2.9
337.07465	2.9
345.69629	3.6
385.84821	3.1
447.22440	5.3
489.23285	11.3
489.33185	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	4.8
57.03435	4.8
58.99603	2.8
59.01095	4.4
59.01379	78.4
59.30319	2.3
69.07376	16.3
71.01385	64.7
72.99307	15.1
73.02952	22.8
74.99118	2.2
81.03447	2.5
83.01391	18.4
85.02954	28.2
87.00889	4.5
88.98803	2.5
89.02464	11.7
97.02950	4.5
99.00886	8.9
99.32135	2.5
101.02447	51.3
102.98589	12.8
103.04039	6.4
111.00879	3.5
113.02459	22.2
119.03484	6.5
123.00909	3.7
125.02464	13.0
143.03484	2.9
145.05022	2.7
159.02966	3.5
161.04579	34.1
163.06108	6.4
169.01463	4.0
249.47629	2.4
283.04968	12.5
283.11905	61.9
284.12119	6.0
429.17645	100.0
430.17963	8.2
451.12634	2.9
489.19229	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	489.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.7
58.00593	2.6
59.01382	100.0
60.01731	0.7
60.05335	0.8
67.01837	0.7
69.03458	1.0
71.01385	31.0
71.05030	1.6
72.99313	4.2
73.02953	28.8
75.00880	1.2
83.01394	2.3
85.02959	12.3
86.00138	0.9
87.00875	8.0
87.04533	3.0
89.02450	24.4
95.01408	1.2
96.96035	2.8
99.00877	0.9
99.04535	1.1
101.02449	49.2
103.04014	21.6
103.04649	1.6
107.01411	1.1
107.93419	0.8
108.02182	0.8
113.02462	5.6
115.04012	7.7
116.91398	0.7
117.05585	5.8
118.94513	0.7
119.03513	12.1
120.99756	1.2
123.00902	5.0
125.02441	7.6
127.04053	1.8
131.03506	10.0
135.30420	0.8
139.00417	1.3
143.03506	13.3
145.05083	7.0
151.00420	2.4
161.04630	1.6
163.06136	78.7
164.06494	2.0
168.00693	0.9
169.01433	7.0
179.03654	0.7
179.05623	1.2
205.07178	22.5
205.08986	1.3
211.02411	0.7
239.11121	2.1
265.09229	5.4
271.04712	1.0
429.17892	6.7
447.15482	0.8
489.15790	14.9
490.16586	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2147
Annotation	Deoxylimononic acid D-ring-lactone
Peak:m/z	Relative Intensity
55.01862	0.5
57.03443	2.6
59.01372	2.3
61.08604	0.5
61.69051	0.4
68.99796	0.8
69.03458	0.7
71.01379	0.6
73.02954	1.1
79.01949	0.5
81.03465	0.6
83.01373	0.6
85.02962	4.7
85.06609	3.7
87.04520	4.6
95.01395	4.8
95.05025	3.0
97.02949	1.2
98.21778	1.4
99.08185	0.5
102.26598	0.5
102.37657	0.5
109.02946	1.5
109.06602	1.4
111.00914	0.7
111.04530	11.9
111.08146	1.6
112.04961	0.6
113.02463	7.2
113.06081	0.8
113.09722	3.3
113.93906	0.5
121.02982	0.6
121.06622	0.6
123.04538	1.1
123.08164	1.9
125.02578	0.6
125.06087	1.8
127.07645	0.7
135.04517	0.4
135.08156	1.1
137.02443	1.2
137.09729	0.8
138.03217	1.6
139.00383	0.8
139.04048	1.7
139.07683	2.7
141.97456	0.5
151.03978	0.7
151.07643	1.6
153.09227	0.8
155.07156	2.0
163.04088	0.5
163.07642	1.8
165.05600	4.3
165.09222	3.8
166.06404	2.7
179.07161	4.9
181.05132	0.7
181.08728	22.3
182.02176	0.6
182.09058	1.2
183.06638	26.4
184.06912	1.6
189.12897	1.3
191.07143	0.5
191.14461	7.4
192.14767	1.2
193.05038	0.7
193.08730	1.7
195.06668	2.7
197.08263	1.9
207.06636	11.5
208.07156	0.7
209.08209	12.6
210.05443	1.0
210.08585	0.5
221.08215	1.8
223.09709	1.0
224.06732	0.6
225.07707	100.0
226.08063	4.1
233.08229	0.5
235.09718	1.0
235.17049	1.1
237.07776	0.8
239.05623	0.7
239.09274	2.2
249.07678	1.3
253.07187	8.2
253.10818	1.6
254.07683	0.5
263.12878	0.7
264.10071	0.6
265.10858	0.6
281.10455	0.5
307.11935	10.7
307.15240	0.8
308.12436	0.8
324.64090	0.5
383.15109	1.3
409.30978	0.6
427.32315	1.7
445.22470	0.7
445.36542	1.4
471.19937	1.1
471.31436	1.8
488.34811	3.2
489.21957	3.5
489.34543	26.2
490.35233	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.0
55.05827	0.5
57.03459	0.6
59.01383	14.7
61.41133	0.6
61.98833	0.7
69.08917	4.2
71.01385	10.0
73.02950	2.2
82.18060	0.5
83.01413	0.6
85.02954	4.5
87.00895	0.6
89.02444	4.0
92.02683	0.8
93.03465	42.8
94.03821	0.7
95.01402	2.4
97.03097	0.7
99.00863	1.0
101.02438	5.1
107.05034	2.1
108.02187	2.0
109.02995	0.6
111.00927	0.6
113.02468	5.3
116.60532	0.6
119.05011	0.6
121.02974	1.4
121.06601	1.4
123.00897	1.2
123.04543	0.8
125.02492	0.9
127.11275	0.8
133.02899	0.9
135.04599	2.9
136.01671	16.8
137.02458	100.0
137.09734	7.4
138.02798	2.5
149.02440	2.9
149.06108	0.6
151.04018	5.3
160.84254	1.3
163.03960	0.9
169.01381	0.9
171.10287	1.1
175.57887	0.7
177.13008	0.8
179.03510	73.7
180.03856	1.6
192.11333	0.6
209.04558	26.1
211.13474	1.6
229.14432	3.3
233.04637	1.3
239.05617	74.2
240.05856	3.4
270.98880	1.2
281.06848	0.8
283.05984	0.6
291.19772	0.9
298.98383	1.4
299.07736	9.9
301.38828	0.9
312.06436	2.4
314.00696	1.5
327.08713	1.9
329.03009	1.0
331.03827	0.8
367.17761	0.8
379.17810	0.7
391.20117	0.6
471.14850	1.0
489.15152	0.9
489.20468	1.3
489.26602	11.7
489.32544	3.9
490.27829	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2153
Annotation	beta-D-Glucosyl crocetin
Peak:m/z	Relative Intensity
55.01884	1.2
57.03450	3.9
59.01376	5.8
68.99825	1.5
69.03456	1.5
71.01387	12.8
71.05006	0.9
73.02950	6.5
75.00889	0.9
81.03445	1.0
83.01377	2.1
83.05017	1.7
85.02956	7.0
87.00867	0.8
95.01404	1.4
95.05019	1.1
97.06605	3.1
99.00906	2.9
101.02444	6.7
107.08678	0.9
108.02182	2.4
109.02961	35.2
110.03282	0.8
111.04514	4.0
113.02470	6.2
113.09750	1.6
123.04533	5.8
125.02442	1.7
125.06096	40.2
125.09720	1.9
126.06447	1.1
127.00372	4.9
148.05310	3.2
149.06111	6.5
151.03979	1.7
157.05000	1.8
159.02979	1.1
159.06650	1.5
161.04558	6.4
169.01390	1.3
172.05334	0.9
173.06114	4.3
177.01985	0.7
179.07275	1.0
181.08710	4.8
183.06625	0.9
187.07661	6.6
188.08315	1.2
189.09236	3.2
195.06557	1.2
196.16278	0.7
209.06384	1.0
209.08203	6.8
225.05670	1.0
225.07735	1.0
227.66873	0.7
240.04257	3.1
241.05070	18.0
253.07152	8.8
255.06639	12.5
256.07181	2.8
269.11798	2.6
283.13483	0.8
294.12363	0.9
297.11340	16.5
298.11832	1.3
311.12787	2.2
312.06284	2.1
312.13690	56.1
313.14157	4.3
327.16031	100.0
328.16458	7.2
329.14011	0.8
331.24988	3.1
347.24496	0.9
355.11682	2.0
363.14447	0.9
383.29596	0.8
399.29269	0.8
413.19833	5.3
427.32388	2.6
443.31094	1.3
445.29465	3.4
445.32837	2.8
457.33569	1.2
471.31128	1.6
487.34207	2.0
489.14404	1.1
489.21118	15.5
489.31750	58.2
490.22034	1.4
490.32813	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	489.286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.31942	0.6
59.01392	0.7
63.86195	0.5
70.82784	0.6
70.86369	0.7
70.86693	0.6
76.83332	0.6
95.05023	1.1
105.03457	2.7
117.03461	1.2
117.56759	0.6
121.02940	1.2
122.03272	0.6
132.02184	7.6
133.02972	14.5
134.03757	13.9
135.04555	3.9
137.02443	4.2
139.04068	0.9
148.05309	2.0
149.06068	1.1
160.01668	46.9
161.02449	7.3
161.06078	2.0
175.04012	100.0
176.04335	3.5
178.02747	2.4
179.03487	2.7
193.05090	8.7
193.08673	0.7
193.56119	0.8
233.08261	0.9
239.09293	5.3
247.09772	2.6
261.11160	0.8
295.22781	1.7
307.15530	0.7
313.23865	8.8
314.24124	1.0
331.15479	4.7
369.09113	0.8
384.67889	0.7
387.21936	2.3
389.27151	1.4
457.25870	4.3
489.28690	51.1
489.35388	10.2
490.28656	4.9
490.35388	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2863
Annotation	Caseamembrin B
Peak:m/z	Relative Intensity
55.81367	0.6
57.03421	3.0
59.01382	15.6
60.99279	1.4
61.98797	1.0
69.53806	2.4
69.54215	1.9
78.23669	0.7
81.03429	0.8
83.05006	0.9
83.92542	0.6
97.06561	1.4
99.04485	1.2
108.21774	0.8
123.04562	1.0
125.02380	1.1
125.06040	1.0
135.04466	1.0
135.08167	0.9
137.02357	1.7
137.09641	1.0
142.63385	0.6
165.01913	0.6
217.30975	0.8
236.16725	0.7
243.06483	0.8
251.90913	0.8
323.23593	2.5
325.43567	0.7
341.24768	0.9
427.28510	3.8
429.26746	4.1
445.29117	2.2
471.26657	1.0
489.28183	100.0
490.28500	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	489.3216
Annotation	Homaline
Peak:m/z	Relative Intensity
50.56200	0.1
57.03454	0.6
57.88919	0.1
58.00599	1.8
59.01387	2.3
60.64523	0.1
61.98832	0.1
69.68665	0.2
69.69057	0.1
71.01391	1.6
72.99334	0.2
73.02952	13.0
74.03300	0.1
83.01407	0.1
84.02179	0.1
85.02958	1.1
85.13997	0.1
87.00880	0.2
87.04526	0.1
89.02467	0.4
93.03476	0.1
99.00895	0.1
101.02460	0.4
106.69826	0.1
108.02211	0.1
109.02937	0.2
113.02468	0.3
113.06114	0.1
119.03519	0.1
119.05005	0.1
120.99664	0.1
121.02985	0.2
123.04549	0.2
125.02462	0.2
134.03764	0.4
135.04533	0.3
135.08168	0.2
137.09827	0.1
139.11330	0.3
145.02946	0.4
146.03769	0.1
147.04578	0.1
149.06102	0.2
155.10791	0.2
161.04546	0.1
163.07628	0.1
173.06145	0.2
173.62181	0.1
174.69791	0.1
175.03993	0.3
176.04837	0.1
179.10840	0.1
181.05051	0.2
183.10303	0.4
189.05615	0.1
190.06374	1.5
191.07169	0.6
193.08768	0.1
198.03564	0.1
199.09741	0.1
203.07326	0.1
225.11227	0.2
239.07405	1.0
243.12375	0.9
250.22241	0.1
253.05096	0.2
267.06619	0.4
268.07388	0.3
277.08594	0.1
278.09274	0.1
281.08173	0.3
283.09952	0.4
285.13516	0.2
293.08218	0.1
294.09009	0.4
295.09698	0.1
297.11346	0.4
300.06458	0.2
309.11249	0.5
311.09253	0.1
312.06735	0.1
312.10019	0.4
313.10858	0.3
325.10822	0.2
325.25598	0.2
326.08307	0.1
326.11383	0.5
327.08685	0.3
327.12347	3.1
327.26926	0.5
328.12891	0.2
337.25226	0.1
339.26950	0.9
341.10419	0.2
345.15576	0.3
351.26865	0.2
353.28638	0.2
365.28500	0.2
367.30005	0.2
371.26004	0.3
375.26999	0.2
377.28497	0.7
378.28873	0.2
381.28140	0.2
383.29611	0.9
385.31104	0.4
389.28635	0.3
395.29727	0.5
401.12848	0.7
407.29749	0.2
409.27255	0.2
411.28912	0.1
413.30798	0.6
415.32660	1.7
416.32382	0.1
425.30554	0.3
427.32285	0.6
431.31866	0.1
443.31580	0.4
444.69583	0.1
445.33359	2.0
446.33414	0.2
457.15085	0.1
474.15314	1.8
475.15823	0.1
489.17639	4.5
489.32230	100.0
490.18100	0.5
490.32599	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3227
Annotation	Homaline
Peak:m/z	Relative Intensity
57.03432	0.6
58.00557	1.4
59.01374	2.1
60.99285	0.9
62.28408	0.4
69.90038	0.4
70.92344	1.0
71.01354	1.1
72.99271	0.8
73.02953	7.1
77.00921	0.4
84.02193	2.1
85.02924	0.8
85.31110	0.5
109.06553	0.5
111.04513	1.0
125.06091	4.3
125.27279	0.4
149.05983	0.7
155.00253	0.5
157.01323	0.7
181.08585	0.8
253.07022	0.7
375.28735	1.0
413.33936	0.6
415.32114	0.7
425.30234	1.6
427.32584	3.1
445.33746	2.6
471.30984	0.7
489.31772	100.0
490.32013	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	489.3232
Annotation	Homaline
Peak:m/z	Relative Intensity
57.03452	3.1
58.00593	3.0
58.09266	1.6
59.01369	4.7
69.03471	1.8
69.81661	6.8
71.01373	4.0
71.05013	1.9
73.02947	13.8
82.29879	1.4
83.05022	2.2
97.06586	4.0
98.22499	2.7
98.67538	1.7
104.55119	1.6
109.55083	1.4
111.08131	1.7
122.09663	1.5
125.09755	1.5
240.81877	1.6
241.66206	1.6
331.25104	1.8
366.08649	1.5
381.28098	2.8
383.29413	2.0
401.30731	2.9
407.29727	2.3
409.31229	7.6
427.32581	3.4
445.28473	1.9
445.33371	5.9
459.31384	2.1
471.30975	5.7
489.32101	100.0
489.35336	92.4
490.31747	8.6
490.36133	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	489.3228
Annotation	Homaline
Peak:m/z	Relative Intensity
55.02189	2.1
56.58266	2.0
57.03450	7.0
59.01377	4.9
61.98817	3.7
63.85076	2.3
69.50870	4.2
69.51253	6.2
71.05017	3.7
73.02937	9.4
85.02914	2.6
86.29966	2.0
87.04514	2.5
96.96000	2.9
97.06574	3.9
102.30882	2.2
105.22262	2.1
109.06551	2.7
159.10246	4.3
166.58606	2.8
191.14471	3.3
240.17229	2.1
347.24268	3.0
371.18286	2.4
385.30746	2.6
407.29642	2.6
427.32590	3.6
437.30176	3.8
441.30402	2.6
445.33798	17.4
455.31711	2.8
471.31009	7.3
489.32120	100.0
490.36441	3.9
514.60461	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3217
Annotation	Homaline
Peak:m/z	Relative Intensity
54.37429	0.2
55.01865	0.1
57.03451	0.6
58.00597	2.4
59.01384	0.9
71.01392	1.0
72.99301	0.1
73.02953	17.0
73.88079	0.1
74.03276	0.2
78.23853	0.1
79.26837	0.1
83.05035	0.1
84.02181	0.1
85.02955	1.2
87.04527	0.2
89.02440	0.1
92.28857	0.1
95.62125	0.1
97.06623	0.1
98.03828	0.1
98.22647	0.2
101.02447	0.2
107.04969	0.1
109.02969	0.1
111.04584	0.1
113.02493	0.1
116.60987	0.1
120.48175	0.1
133.03020	0.2
134.03741	0.2
135.04535	0.1
151.03975	0.1
171.11768	0.1
177.01956	0.2
182.38701	0.1
183.10266	0.1
188.04887	0.1
202.06346	0.2
203.07022	0.1
207.13864	0.1
239.07372	0.1
283.06146	1.2
284.06708	0.2
297.07776	0.2
309.11557	0.1
311.05646	1.2
311.09167	0.1
311.23831	0.2
312.06412	6.4
312.09668	0.3
313.06683	0.5
325.06985	0.1
327.08798	6.4
327.12399	1.0
327.26929	0.5
328.09036	0.6
328.12567	0.1
339.27054	0.3
353.28351	0.2
357.27985	0.4
367.26169	0.2
367.30338	0.1
369.09964	0.1
369.28040	0.5
371.29517	0.2
377.28546	0.5
381.27786	0.1
383.29623	0.7
395.29239	0.2
397.31259	0.2
407.29553	0.9
409.31195	0.3
413.30557	0.7
415.32559	1.7
416.32483	0.3
417.09631	0.1
417.33908	0.1
425.30576	0.2
427.32288	0.6
431.31598	0.1
443.31635	0.4
445.33307	2.6
446.33463	0.2
446.52322	0.1
471.30991	0.1
489.32205	100.0
490.32578	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	489.3224
Annotation	Homaline
Peak:m/z	Relative Intensity
54.71396	0.2
57.03446	0.9
58.00599	1.9
59.01387	1.5
60.99303	0.2
61.98840	0.4
62.96918	0.2
63.69204	0.2
64.73312	0.2
69.03472	0.4
71.01387	1.2
71.05022	0.6
71.28230	0.2
72.99313	0.3
73.02951	12.2
83.05038	0.3
85.02953	0.9
89.02416	0.2
97.02993	0.2
101.02470	0.4
108.02184	0.3
109.02976	0.4
113.09777	0.2
123.00870	0.5
123.04490	0.2
124.01690	0.6
125.02459	0.5
125.09621	0.3
134.30415	0.2
135.04541	0.3
136.01677	3.7
137.02489	0.5
143.39923	0.2
149.06050	0.3
151.03990	0.3
163.04019	0.3
163.07660	0.3
164.04779	0.3
165.09155	0.3
169.01443	0.3
179.06989	0.2
181.05063	0.2
181.08675	0.3
183.13863	0.3
184.07442	0.2
203.07184	0.4
205.40500	0.2
209.08286	0.5
212.90521	0.2
218.71304	0.2
236.00002	0.2
267.16147	0.2
283.06219	0.3
294.09061	0.5
297.07590	0.3
309.11346	0.6
311.05643	0.5
311.08905	0.2
312.06369	0.6
312.10129	2.0
312.13437	0.3
327.08713	0.6
327.12354	7.4
328.12772	0.6
337.07709	0.3
337.25500	0.2
339.27069	0.8
343.04544	0.4
351.26825	0.3
371.25757	0.2
377.28540	0.3
383.29730	0.9
385.31607	0.3
389.28574	0.4
395.29776	0.6
397.31509	0.3
409.27008	0.3
413.30606	0.7
415.32675	1.5
425.30551	0.7
427.32492	2.5
443.31818	0.6
445.34015	1.7
471.31573	0.3
489.32297	100.0
490.32690	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	489.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64074	0.9
54.00216	0.9
57.03448	2.0
58.00583	2.3
59.01370	2.2
69.58361	1.9
69.58753	4.9
71.01385	2.9
71.05024	1.2
73.02970	8.7
83.05016	1.1
84.02178	11.4
87.04539	1.5
101.70285	1.0
104.66700	1.2
165.97978	0.9
188.32910	1.1
192.23218	0.9
236.25290	0.9
236.84656	1.0
251.94911	1.1
383.29648	1.4
395.26013	1.7
397.31165	3.3
399.32623	3.8
409.30939	1.8
411.28970	6.3
415.32135	1.8
427.32297	16.1
428.32275	1.5
429.33716	1.3
445.33463	10.5
471.31168	61.8
472.31741	5.8
489.35529	100.0
490.35959	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	489.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	4.3
59.01365	1.6
61.98815	0.5
69.58269	0.9
69.58662	1.3
71.05002	1.2
72.66382	0.5
73.02946	0.5
75.00840	0.5
83.05003	0.6
97.06539	0.5
137.09709	0.5
163.81160	0.5
190.73900	0.5
192.72839	0.5
214.17517	0.6
387.28909	2.1
409.30969	1.5
427.31851	1.7
431.27731	1.4
445.33731	4.2
471.31226	1.3
489.32034	100.0
490.32364	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	489.3597
Annotation	Sodwanone M
Peak:m/z	Relative Intensity
53.17287	0.4
57.03467	0.8
58.00591	1.0
59.01390	0.9
59.72773	0.4
70.44374	0.9
71.01390	1.0
71.05036	0.5
71.35883	0.4
73.02956	10.0
84.02174	2.1
87.04528	0.8
98.21970	0.5
107.61962	0.4
190.06470	0.5
220.26035	0.5
221.21983	0.5
240.93907	0.5
266.69662	0.5
343.26535	0.5
397.31198	1.0
399.32800	1.6
405.08292	0.5
407.33383	0.6
411.29114	1.7
415.32202	1.2
427.32330	5.5
428.32761	0.4
429.33813	1.6
443.35748	0.5
445.33667	2.5
471.30899	9.3
472.31332	0.9
489.36301	100.0
490.36563	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	489.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53267	0.2
57.75699	0.2
58.00585	0.8
69.06780	1.7
71.01369	0.9
73.02953	10.2
84.02176	1.0
85.02978	0.2
106.70350	0.2
128.53166	0.2
140.36061	0.2
149.75705	0.2
397.31012	1.0
399.32727	2.0
407.33304	1.1
409.31601	0.4
415.32123	1.5
417.26620	0.2
425.34412	0.4
427.32352	0.9
429.33829	1.3
459.27454	0.2
471.17944	0.3
471.30930	4.0
472.31784	0.4
489.35934	100.0
490.36295	11.1
490.43610	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3598
Annotation	Sodwanone M
Peak:m/z	Relative Intensity
57.03456	2.3
59.01381	4.1
62.25471	1.4
71.01398	1.6
71.05045	1.8
71.29681	1.5
73.02965	3.1
83.05035	2.3
87.04520	1.9
95.05033	2.7
97.06613	10.4
100.51917	1.4
102.13946	1.5
115.07683	1.7
125.09756	2.9
153.87901	1.3
187.09773	1.6
327.21793	1.5
331.24899	3.3
332.70486	1.6
351.43274	1.6
409.30997	2.4
411.32666	1.6
427.28406	2.4
434.25699	1.4
443.35449	3.0
445.33926	3.1
471.31284	4.8
489.31042	23.7
489.35611	100.0
490.35974	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	489.3588
Annotation	Armatinol B
Peak:m/z	Relative Intensity
59.01363	0.5
69.14350	2.9
71.05022	2.4
73.02931	0.5
200.19510	0.5
379.30042	0.5
379.34344	0.5
383.29758	0.4
397.31186	1.6
399.32886	0.7
427.32562	2.1
428.32867	0.5
429.33771	7.8
430.34012	0.7
443.31726	1.8
445.33078	1.8
463.33716	0.5
489.36545	100.0
490.37140	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	489.359
Annotation	Cycloastragenol
Peak:m/z	Relative Intensity
50.68462	0.5
51.35870	0.4
57.03448	0.5
59.01391	0.5
69.45138	0.8
69.45536	2.3
73.02951	0.7
85.88237	0.4
88.17590	0.5
343.97989	0.5
373.27191	0.6
393.02625	0.7
395.29727	0.7
411.32825	1.5
425.34601	1.0
441.33893	1.2
443.35446	3.2
489.35986	100.0
490.36295	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	489.3591
Annotation	Cycloastragenol
Peak:m/z	Relative Intensity
55.27662	0.5
56.53909	0.4
56.71603	0.5
58.00589	0.4
59.01375	0.9
60.28415	0.5
65.84890	0.4
70.65529	0.5
70.92423	0.7
70.92733	0.6
73.02951	4.1
83.20811	0.5
91.59654	0.5
121.35816	0.5
132.03133	0.6
169.45670	0.5
172.80219	0.4
241.29170	0.5
246.28299	0.5
339.23178	0.5
397.31387	0.9
407.33020	0.6
415.32117	0.8
429.33899	0.9
443.34784	1.1
459.33795	0.6
489.35886	100.0
490.36261	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	489.3588
Annotation	Sodwanone M
Peak:m/z	Relative Intensity
57.03447	1.7
59.01385	0.9
69.00890	3.6
69.01313	4.2
71.01376	1.5
73.02982	1.1
78.95871	4.1
87.04512	1.1
111.08159	1.4
152.99594	7.3
191.14467	1.0
217.39459	0.9
229.19455	0.9
296.66022	0.9
299.20108	1.3
393.27942	9.6
394.27988	1.1
398.69843	1.1
411.29456	0.9
427.32239	13.0
431.31784	1.1
445.32294	1.7
445.37662	1.5
453.34158	1.0
471.30838	1.6
489.35651	100.0
490.36105	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	489.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	0.7
69.81255	0.9
69.81663	1.1
85.02968	1.0
85.15257	0.3
87.04597	0.4
87.28495	0.3
95.05085	0.6
111.04527	1.1
123.08242	0.5
163.44676	0.4
165.09271	0.7
181.08736	0.6
183.06708	1.6
184.07068	0.7
197.08232	1.6
201.42827	0.5
209.08279	1.4
210.08574	1.2
211.08730	0.4
225.07826	1.3
226.08154	0.5
227.08417	0.4
235.13541	0.5
237.14995	0.5
268.07507	0.6
361.11780	0.4
423.32773	0.6
425.34064	0.9
441.33704	0.8
471.19397	0.9
471.32971	1.3
487.34155	1.8
489.36005	100.0
490.36398	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	489.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20409	1.0
52.12616	0.9
57.03463	1.8
57.07578	0.9
58.15930	0.9
59.01367	1.9
64.17673	0.7
69.36237	5.9
71.05040	1.2
82.35829	0.8
85.02975	2.4
85.06609	1.3
87.04549	1.4
95.01405	2.1
95.05051	2.9
97.03004	1.5
98.21825	1.6
102.48668	0.8
109.06653	1.1
111.04509	5.0
113.02475	3.8
113.09772	2.0
123.08231	2.5
137.02481	1.4
138.03230	0.9
139.04047	2.2
139.07686	1.3
151.07741	0.9
165.05528	1.3
165.09206	6.3
166.06392	1.4
179.07085	1.8
181.05095	1.1
181.08740	10.9
183.06651	13.3
195.06746	3.5
197.08218	1.1
207.06612	4.6
209.08195	22.2
210.08572	2.3
221.08290	1.8
221.15504	1.0
223.09782	1.3
223.17181	2.7
225.07695	43.5
226.08121	2.7
239.09285	2.9
249.18669	1.9
253.07188	15.1
253.10112	1.1
253.10928	1.3
263.13074	1.4
287.20334	1.2
289.21835	1.7
307.12009	4.1
307.15433	1.5
425.33908	1.6
427.35855	51.5
428.36111	5.0
445.36215	3.6
471.30652	1.0
489.21390	4.4
489.35971	100.0
490.36346	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	490.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	15.6
61.62471	4.1
71.01388	10.9
71.29252	6.0
74.94253	4.7
77.17043	5.1
79.51184	4.9
107.01351	4.8
109.02953	4.9
123.00892	7.7
125.02460	40.9
133.02962	7.4
137.02458	5.4
139.00388	6.2
169.01414	26.1
177.01947	100.0
178.28673	5.7
181.05074	22.0
182.08992	6.3
196.07388	19.2
208.21489	4.5
211.09821	51.0
262.79340	5.4
313.05698	11.2
339.07086	26.1
491.07947	24.1
510.64371	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	491.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.8
58.93921	0.7
59.01381	10.6
59.01622	0.7
61.98822	0.9
70.59206	1.3
71.01389	8.6
71.72272	0.7
72.99336	0.8
73.02986	1.6
77.90334	0.7
80.58265	0.8
80.91712	0.9
83.01428	0.8
85.02994	1.2
85.68583	0.6
87.00922	0.9
89.02448	7.5
101.02467	4.9
108.02205	0.8
109.02977	2.1
113.02499	2.3
119.03523	5.0
121.02986	1.2
123.04601	1.9
125.02454	4.0
137.02524	1.3
143.03526	1.0
152.01181	1.0
161.04585	1.7
165.33745	0.7
167.03566	3.0
167.10782	18.7
167.12108	1.3
169.01497	0.8
179.05675	1.7
183.03026	2.1
187.48610	0.7
209.04587	1.6
221.06671	1.5
257.00934	1.4
258.01767	2.2
263.07727	0.8
269.98065	7.8
270.98880	11.5
283.99597	2.8
285.00455	15.1
286.01141	6.2
297.97604	19.4
298.98328	31.8
299.98810	1.4
301.03506	2.4
312.99924	48.3
314.00681	52.3
315.01254	3.6
323.09833	2.8
328.02240	16.3
329.03036	100.0
329.13730	4.6
330.03415	7.5
345.08453	1.0
461.18253	0.9
491.08252	79.1
492.08563	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	491.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84100	0.4
57.02027	0.4
59.01361	1.6
64.99530	0.4
65.86916	0.4
68.62524	0.4
69.23601	2.9
71.01370	0.4
89.02472	0.5
98.21705	0.4
98.34441	0.4
106.97063	0.5
185.99664	0.6
197.99602	1.7
201.11285	0.7
220.24545	0.4
227.00011	0.5
229.01390	0.7
236.07408	0.4
241.98573	1.8
254.99319	2.6
257.00903	1.6
269.98077	30.1
270.98480	1.6
285.00424	17.5
286.00751	1.0
297.97556	55.1
298.97888	3.6
312.99921	100.0
314.00302	4.9
328.02249	68.7
329.02634	4.2
358.27094	0.4
476.06058	8.4
477.05911	1.0
491.08344	66.9
492.08649	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	491.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49355	0.1
55.01887	0.3
57.03452	0.3
59.01381	3.0
59.24573	0.1
61.98821	0.2
65.00336	0.8
67.01883	0.1
71.00986	0.2
71.01385	3.6
72.99323	0.4
73.02950	0.3
75.00884	0.4
77.03969	2.1
79.01432	0.3
79.01897	5.7
80.02291	0.2
83.01402	0.3
85.02943	1.9
87.00890	0.5
89.02448	0.7
93.03468	1.4
95.01398	0.9
95.05032	0.3
97.02945	1.7
97.06630	0.3
99.00880	0.8
101.02472	0.5
103.00398	0.5
105.03487	0.5
108.02176	0.6
109.02958	4.8
111.00918	0.2
113.02458	2.5
117.01957	0.2
119.03520	0.2
121.02963	14.6
122.03265	0.3
123.00888	0.2
123.04544	1.1
125.02457	0.2
129.02016	0.2
133.02968	0.8
134.03748	0.2
134.56404	0.1
134.88013	0.1
135.04539	0.4
137.02454	0.7
138.03242	0.2
139.04010	1.1
147.04527	0.2
148.01686	0.1
148.05298	0.1
149.02446	2.0
150.03166	0.2
151.03999	0.3
152.01170	0.3
153.05667	0.1
159.04581	0.6
159.06673	0.2
160.01657	0.3
161.02460	0.6
161.04544	0.1
163.04021	0.3
165.01938	23.5
166.02228	0.7
167.68843	0.1
169.06549	0.2
171.08218	0.3
172.05222	0.2
175.02483	1.0
175.03981	0.6
177.01932	2.8
178.02710	0.3
179.03439	0.5
179.05646	0.1
181.06538	0.1
182.03722	0.1
183.03026	1.0
183.10179	0.2
185.06071	0.1
187.03969	0.2
187.07669	0.3
188.04704	0.1
189.05678	0.1
191.03592	0.1
193.01425	7.6
194.01776	0.4
197.06128	0.6
199.03989	0.2
199.07596	0.3
200.04773	0.3
201.05524	0.2
203.03470	0.3
203.07285	0.1
205.01407	0.3
206.02158	0.4
207.02986	0.6
210.03386	0.1
211.04100	0.1
213.05559	0.4
214.02657	0.2
215.07140	0.7
217.05051	0.1
224.04878	0.1
225.05554	1.0
225.11179	0.2
226.02538	0.2
226.06223	0.2
227.03586	0.3
228.04306	0.4
229.04994	0.2
231.06639	0.2
239.03253	0.1
240.04198	0.3
241.05112	1.4
242.05788	0.2
243.02989	0.2
243.06586	0.8
243.12379	0.3
253.05083	0.4
254.06012	0.2
256.03757	0.2
257.04486	0.6
259.06104	2.3
260.06424	0.2
269.04575	2.5
270.05127	0.3
271.06091	0.4
272.02945	0.1
280.03784	0.3
285.04126	0.9
285.11298	0.4
287.05548	1.0
297.04108	0.8
298.04590	0.2
313.03641	0.1
314.04349	0.7
314.11734	0.2
315.05099	100.0
316.05429	6.7
316.09186	0.3
329.06622	0.2
329.10263	0.3
329.13950	1.7
337.09198	0.2
490.32501	0.9
491.08231	8.9
491.18158	1.0
491.24597	0.4
491.32889	0.4
492.08527	1.1
492.19485	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.3
59.01381	11.6
69.21829	8.1
71.01379	12.8
72.99297	1.2
73.02961	2.1
75.00868	4.2
79.95738	1.9
85.02957	12.7
87.00883	2.7
87.33925	1.2
89.02453	2.2
93.03510	1.7
95.01412	4.5
99.00888	4.1
101.02429	3.1
103.00359	2.6
107.01363	1.7
108.02175	1.6
109.02962	2.0
113.02466	17.1
120.99662	3.7
123.04560	1.8
135.04549	2.2
137.02449	1.7
148.01591	1.6
149.06068	2.9
151.00420	3.7
159.20100	1.3
160.05270	2.8
163.00450	1.6
163.04074	1.5
167.03352	1.3
168.57726	1.2
169.01559	1.3
175.02448	4.3
175.07651	1.8
177.01978	1.2
183.10213	1.3
189.99245	1.8
226.02794	1.6
227.03494	2.7
243.02936	8.4
254.02139	2.0
255.02995	16.2
269.98044	11.9
271.02469	32.8
272.03122	4.8
285.00375	5.0
287.05545	2.4
297.97498	21.6
298.98471	1.4
300.02774	61.9
300.99796	1.3
301.03262	4.9
312.99933	38.6
314.00403	3.0
315.05118	100.0
316.05383	8.8
328.02216	28.8
329.02545	2.2
329.13965	7.7
476.06250	2.3
491.08270	32.7
491.19046	6.1
492.08316	2.3
516.42896	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19587	0.8
59.01374	2.5
61.98834	18.0
63.78323	0.8
71.01389	2.6
71.14841	0.9
73.02965	1.0
74.53343	0.9
79.95744	2.4
81.03466	1.8
85.02950	1.9
93.03474	1.2
95.01424	1.4
96.96043	1.1
99.00921	1.0
99.68919	0.9
101.02454	1.1
108.02182	54.4
109.02964	46.3
121.03001	1.2
123.00874	2.0
125.02507	1.2
132.02174	6.5
133.02982	4.5
134.03751	9.1
135.00929	1.1
135.04578	5.2
135.06142	0.9
137.02486	1.3
142.17282	0.8
149.06099	1.0
152.01166	69.6
153.01947	35.6
157.26042	1.0
160.01668	27.3
161.02455	16.9
162.02827	1.0
163.04024	1.9
165.02016	1.3
167.03493	1.0
175.04010	24.4
177.01936	1.2
179.03525	4.6
189.99329	2.4
193.05078	3.9
229.97021	1.9
269.98157	1.2
286.68973	1.0
297.97699	4.1
298.46564	0.9
299.99472	1.1
312.99945	6.7
315.07260	24.9
316.07669	1.5
323.07797	3.3
328.02185	6.2
329.13803	1.2
337.09265	1.4
351.69312	1.0
447.12875	1.5
451.34235	0.9
459.09311	1.3
474.07935	1.1
491.12149	100.0
492.12396	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	13.4
71.01386	6.0
73.02938	2.3
79.01895	0.8
85.02959	2.1
89.02457	2.8
95.01404	1.3
96.79420	0.9
101.02454	4.0
106.06652	3.1
108.02174	6.0
109.02962	2.7
113.02440	2.2
119.03506	1.7
121.02975	3.4
122.03776	0.9
123.00888	1.4
123.04539	1.5
125.02483	1.4
135.04538	1.8
136.01669	1.7
137.02478	2.2
139.11292	2.8
145.02951	1.0
147.04514	0.8
149.05995	1.0
150.05606	1.5
151.03998	1.7
152.01166	4.0
153.01924	1.8
159.55641	0.7
161.02464	0.8
161.04565	2.5
161.06023	1.2
165.01923	1.7
165.05605	1.6
166.99832	0.9
167.07146	1.0
177.05539	1.1
177.09210	1.5
179.07216	1.4
182.04579	1.3
183.10281	3.1
184.55786	0.9
192.08098	1.0
193.08615	0.8
205.05101	1.6
214.02797	2.2
225.11337	0.8
226.02724	1.0
227.15536	0.8
241.01547	2.1
242.02208	21.0
242.04565	1.0
243.02646	0.8
243.12373	2.0
245.00937	3.4
254.02263	2.7
255.02927	1.2
257.04517	1.2
269.08261	1.1
269.98679	1.1
270.01700	31.9
270.98917	1.7
271.02338	3.8
283.09818	1.9
283.99542	1.1
285.00839	1.7
285.04056	31.1
286.01230	1.6
286.04218	0.9
297.11383	2.3
297.97711	1.7
298.01202	7.5
298.98431	5.0
299.02020	5.2
299.05432	1.7
300.02762	1.1
311.07660	1.3
311.12714	2.1
313.00092	5.9
313.03525	100.0
313.11160	2.3
314.00665	7.0
314.04205	10.7
314.11618	6.1
315.04706	1.7
315.07755	1.4
328.02359	1.5
328.05887	30.0
329.03061	17.3
329.06671	9.6
329.13916	39.1
330.14410	3.2
343.11972	3.3
359.20764	1.2
371.07855	1.3
380.98669	0.8
424.44159	0.8
448.12585	3.3
490.32700	3.6
491.12091	98.7
491.24646	5.1
491.32141	2.0
492.12320	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	491.1215
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.1
59.01381	14.8
61.98779	0.6
65.00319	0.6
67.31807	0.6
69.00269	4.0
69.00687	2.5
71.01380	6.1
73.02895	2.2
81.51292	0.6
83.01369	0.7
85.02906	2.7
89.02399	2.6
93.03421	1.3
95.01338	0.9
96.79340	0.8
101.02446	3.6
106.06575	2.9
106.07191	0.6
108.02184	4.2
109.02904	2.7
111.04530	0.9
113.02383	2.4
113.87629	0.7
116.92793	0.8
119.05015	0.7
121.02908	2.6
123.00839	1.5
123.04462	1.0
125.02375	1.5
129.77870	0.7
134.03706	1.7
135.04445	1.0
136.01640	0.9
137.02394	1.6
139.11307	1.4
145.53857	0.6
147.04503	1.3
149.04550	0.8
149.05998	1.6
149.91016	0.6
150.05588	1.6
151.00339	1.2
151.03972	1.4
152.01181	3.6
153.01894	0.7
155.10757	0.7
161.02435	0.7
161.04491	2.6
164.04849	0.7
165.01878	1.3
165.05539	1.1
166.99791	1.7
169.01346	0.8
175.49498	0.6
176.44276	0.7
179.05623	0.8
179.07065	1.1
181.12364	1.6
183.10233	2.6
192.07831	1.0
205.05051	1.0
214.02621	2.7
225.11299	0.7
226.02682	1.8
241.01408	2.0
241.05147	0.8
242.02220	22.7
243.02591	1.7
243.12286	2.1
245.00925	4.3
254.02261	3.3
255.02962	1.5
257.04514	0.8
269.08087	1.6
270.01700	33.6
270.98792	2.3
271.02222	2.7
273.00354	0.9
281.08246	0.8
283.09760	1.5
283.99771	0.7
285.00507	2.3
285.04025	30.2
286.01154	1.3
286.04309	1.7
295.09366	1.1
296.09952	0.7
297.11218	1.9
297.97562	2.0
298.01157	8.4
298.98251	4.4
299.01913	3.8
299.05649	1.6
299.08859	1.0
311.12338	1.9
313.00104	6.0
313.03516	100.0
314.00574	5.2
314.04025	8.6
314.11557	6.0
315.04559	1.2
315.07578	1.1
328.02451	1.7
328.05862	29.2
329.02966	13.9
329.06558	5.7
329.10904	1.9
329.13925	39.8
330.03546	0.8
330.14352	2.5
343.11734	2.8
356.05609	0.7
359.20831	1.0
371.07590	1.6
448.12714	3.6
463.12122	0.8
490.32407	3.2
491.12003	99.1
491.24576	5.5
492.12341	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	491.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12528	0.8
59.01373	2.9
61.98833	2.2
63.96244	33.1
65.34196	0.8
65.82647	0.7
68.73280	0.8
70.34695	0.9
70.93040	1.3
71.01389	2.2
72.99310	27.9
73.98324	8.1
74.99093	2.9
81.03452	2.1
83.01414	1.3
85.02946	1.1
87.00891	1.1
89.02470	1.5
95.01388	2.4
95.05052	1.3
99.04537	0.9
101.02460	1.4
109.02998	1.2
111.00897	2.3
113.02460	2.1
117.97322	19.5
119.03529	1.0
120.99634	1.3
123.00874	4.2
123.04556	3.3
125.02459	5.9
131.03508	1.1
133.05057	1.0
135.98370	100.0
136.98724	0.8
137.02480	1.4
139.03993	0.8
145.02968	1.1
147.04616	1.3
151.04074	1.2
161.02411	1.0
164.04800	0.8
166.02776	0.9
167.03500	6.0
169.01419	2.8
175.04066	1.0
179.03575	0.8
181.05069	2.5
189.02002	1.1
191.03546	1.3
201.02029	1.1
203.03529	1.3
205.05087	1.1
209.04543	12.3
217.01486	1.0
219.02917	1.2
229.01480	1.9
231.02945	1.5
233.04620	2.3
239.05617	1.7
241.05316	1.1
243.02933	1.0
257.00912	1.9
275.01968	3.5
300.99911	6.4
315.01474	1.1
364.06189	1.1
371.05911	0.8
371.10031	5.0
391.02850	1.4
407.03763	1.1
407.54510	1.3
453.10416	1.1
455.02258	0.9
481.85846	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30968	0.8
56.98032	2.0
59.01386	6.3
60.97534	1.5
61.98823	1.5
63.95902	1.2
63.96243	22.6
69.43368	4.9
71.01392	6.3
72.99311	0.9
73.02954	3.0
74.99097	11.2
83.01386	1.4
85.02959	2.7
87.00880	3.8
88.98823	1.7
89.02463	3.3
99.00857	0.9
101.02463	3.4
107.62605	0.8
109.02930	1.2
111.00903	1.4
113.02464	3.6
117.97318	100.0
119.03542	1.1
120.99683	1.9
121.03016	1.4
123.00835	1.2
123.04533	3.4
125.02473	1.8
135.98398	0.9
137.02467	2.3
149.02499	1.0
151.00363	0.9
161.04570	2.8
165.05511	1.0
167.03525	2.7
169.01421	1.0
192.99571	1.0
197.08276	2.2
205.07181	1.5
207.06671	4.5
209.02679	0.9
209.04596	1.7
213.69614	1.1
237.04445	4.4
241.05431	4.1
249.06224	1.5
251.05669	3.0
281.03455	0.9
281.06592	2.6
287.02069	1.5
298.03616	13.7
299.01447	0.9
299.04294	5.5
315.01431	3.5
326.22266	0.8
331.96204	0.8
359.13431	2.5
366.29980	0.9
369.11942	1.6
491.18387	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	491.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69616	0.8
55.01876	1.1
56.98028	2.5
58.12513	0.7
59.01392	7.5
63.96244	19.5
69.47305	4.4
71.01376	7.5
71.96799	0.8
72.99314	1.0
73.02945	2.4
74.99101	11.6
79.95750	1.0
83.01412	1.7
85.02957	3.4
87.00870	3.1
87.03158	1.0
89.02447	4.4
95.01379	1.6
99.00893	1.4
101.02440	5.4
109.02961	2.4
111.00868	1.0
113.02450	3.1
117.97320	100.0
119.03465	1.0
120.01260	1.4
121.02972	2.8
123.00904	1.4
123.04523	5.0
125.02458	3.2
149.02513	1.0
151.00410	1.5
154.93663	0.8
161.04611	4.0
169.01360	1.7
171.04599	1.1
175.04039	1.0
180.04320	1.3
182.05788	1.3
187.04048	1.5
191.73044	0.9
197.08176	1.8
201.11389	2.5
213.07542	1.0
215.03581	1.1
237.04417	6.7
241.05347	2.4
259.02362	2.0
269.10275	1.8
275.01691	1.0
281.03625	1.0
287.02039	6.0
298.03690	13.6
299.04462	5.6
315.01480	14.5
316.01947	1.8
359.13504	1.6
431.15512	3.6
448.95425	1.0
491.17493	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	491.1567
Annotation	Decumbeside A
Peak:m/z	Relative Intensity
52.92193	1.2
57.03435	1.5
57.51009	1.1
58.96653	1.2
59.01371	5.8
61.98814	1.7
68.33141	1.4
69.00780	11.8
71.01373	4.2
72.32487	1.4
85.02917	2.1
88.33282	1.2
89.56567	1.3
93.03484	1.3
96.95992	1.9
98.22543	2.9
101.02427	2.5
103.91220	1.2
109.02975	1.8
111.05827	1.2
113.02528	1.6
117.03482	33.6
117.04298	2.2
119.05044	7.5
124.01776	1.4
125.02412	3.7
137.02458	3.5
145.02969	100.0
146.03313	3.6
147.04477	1.5
153.01930	14.8
161.06166	1.4
163.04002	8.1
167.10805	2.4
168.04300	9.9
169.01414	2.4
183.06607	2.6
242.55525	1.3
269.98074	2.6
297.97559	5.4
307.08252	20.5
308.08566	1.5
313.00018	9.4
328.02206	5.3
329.06870	1.6
491.08170	8.2
491.15570	20.6
491.28076	2.6
491.34329	2.4
492.15872	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	491.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28131	0.3
51.90052	0.3
52.79851	0.4
59.01361	0.8
68.98801	3.7
71.01365	0.3
74.39277	0.3
74.45613	0.4
89.39504	0.3
94.18227	0.4
99.76029	0.4
108.02184	1.2
109.02973	2.7
111.00894	0.7
123.00938	2.1
123.04543	1.5
123.89642	0.4
124.01681	3.9
135.04482	0.8
136.01672	13.3
137.02460	18.0
141.97044	0.4
146.03728	0.9
148.05296	0.9
149.06062	2.8
151.04018	19.1
152.01143	0.5
152.04420	0.4
153.01895	0.5
161.05997	0.6
162.06848	0.7
164.04788	2.7
165.05573	6.0
166.05801	0.4
175.07629	3.2
176.08389	1.0
177.09201	9.6
187.07611	1.4
190.06400	0.7
191.07117	1.6
222.19910	0.4
232.36287	0.4
281.08093	0.6
282.98181	0.4
296.10583	0.6
311.13019	2.3
314.04349	0.6
314.11646	1.6
329.13943	100.0
330.14297	5.6
491.18521	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	491.1927
Annotation	Palmatoside G
Peak:m/z	Relative Intensity
52.42852	1.0
58.00579	1.9
59.01382	80.4
69.07426	6.4
69.07835	2.1
71.01390	27.8
72.99314	2.3
73.02920	1.2
83.01366	3.3
84.51347	1.2
85.02958	7.8
89.02454	26.1
95.01391	2.5
96.35458	1.0
101.02450	17.9
109.02950	1.6
113.02438	11.5
119.03515	11.2
121.02983	2.0
134.03734	2.7
135.04514	2.3
147.20169	1.2
149.06041	2.9
161.04634	1.9
174.06877	1.9
183.10236	2.3
227.12894	3.6
254.05705	1.2
271.02374	1.4
278.09500	1.1
279.10217	3.3
281.08047	2.7
283.09790	1.2
285.04053	13.4
295.09604	3.5
296.10535	9.7
297.10977	3.1
311.12894	33.2
312.13031	2.2
313.03540	19.6
313.10675	1.5
314.04083	2.8
314.11548	4.5
328.05823	4.1
329.03067	2.2
329.06479	3.6
329.13925	29.3
330.14172	3.3
400.15039	1.1
491.11838	18.0
491.19009	100.0
491.25125	6.7
492.19391	9.7
492.25549	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	491.1926
Annotation	Toonaciliatin F
Peak:m/z	Relative Intensity
57.03423	0.4
58.00542	0.5
59.01387	10.7
69.12918	3.6
71.01109	0.4
71.01393	5.3
73.02939	0.9
75.00890	0.6
83.01399	1.0
85.02963	1.7
87.00879	1.6
89.02448	2.6
93.03470	1.1
101.02455	2.8
108.02209	1.0
109.02959	1.0
111.00916	0.8
113.02441	1.8
119.03505	0.5
121.02964	7.4
122.03721	1.4
123.04529	0.8
134.03772	3.6
135.04547	4.6
145.02882	0.8
147.04521	1.0
149.06050	2.6
159.04524	0.6
161.06104	1.9
174.06902	0.5
175.07602	1.0
176.01863	0.5
179.07205	0.5
192.08046	0.6
193.08714	1.5
208.21501	0.5
235.09729	0.7
247.64790	0.5
252.07947	0.9
253.08810	0.7
255.03201	0.5
255.06572	0.8
265.08704	0.6
268.07391	0.5
269.08221	1.6
270.08911	2.6
279.10321	0.7
281.08173	1.4
283.09775	4.6
284.10406	0.5
295.09753	0.9
296.10568	3.0
297.11288	2.5
311.12906	1.4
313.10794	1.6
314.11581	5.5
315.12311	3.9
325.10776	0.6
329.13989	14.7
330.14191	1.0
343.11798	1.4
356.13269	0.7
357.13467	0.5
371.15219	0.6
459.16574	1.0
461.14529	0.8
475.16345	1.2
476.16977	2.2
491.19281	100.0
492.19623	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.4
59.01385	12.9
60.64082	1.1
61.98819	1.4
66.72012	1.1
69.08369	4.9
69.08788	2.5
71.01386	6.9
72.99297	2.5
75.37009	1.1
80.80156	1.0
83.54965	1.3
89.02448	10.2
90.42335	1.1
96.96019	11.6
101.02441	4.7
113.02459	3.0
119.03498	5.3
123.04574	2.2
143.03481	1.4
147.04529	9.1
148.05322	100.0
149.06099	69.3
150.03227	9.4
150.06413	3.2
162.83913	5.9
163.07663	91.2
164.04915	1.3
164.07991	1.9
164.83603	7.0
165.05583	26.2
175.72563	1.1
179.07246	1.2
259.11172	1.2
277.91302	1.2
297.97516	1.4
311.12869	4.9
312.99942	2.3
328.02017	1.7
431.14194	4.8
491.08936	1.4
491.33316	15.3
492.34024	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.1
60.18308	0.9
71.29607	0.9
74.20256	0.9
79.01899	1.8
80.98572	1.0
89.02430	0.9
105.03509	1.1
108.02210	1.0
115.60844	0.9
121.02940	1.0
135.04550	1.9
137.02515	1.1
147.04536	25.7
148.05315	33.9
149.02487	3.8
149.06091	100.0
150.06451	2.9
151.00377	4.3
151.04054	1.6
163.07661	34.3
164.04837	8.5
165.01947	1.3
179.07166	3.0
194.91621	1.1
203.73247	1.0
205.08702	3.4
213.05623	1.6
225.07675	1.3
261.72018	1.0
271.02515	1.6
285.04074	1.1
290.69308	1.0
297.97510	1.8
311.12949	9.5
312.99701	3.1
313.03180	1.4
314.04337	25.8
314.07733	1.8
315.04736	1.9
328.02213	1.8
329.03360	1.3
329.06696	39.0
329.13934	14.6
330.07025	2.1
330.14142	1.1
491.27988	6.6
491.34573	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	491.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05375	1.4
59.01387	2.6
59.88925	1.3
61.98833	2.1
71.01389	2.8
71.04986	1.6
73.02942	5.6
73.78477	1.4
75.18922	1.2
77.06440	1.3
97.06575	1.8
98.22615	3.0
101.02449	1.6
112.22132	1.6
135.04550	2.0
137.02547	1.5
147.04523	6.8
148.05328	37.2
149.02470	4.4
149.06099	100.0
150.06442	4.9
152.54430	1.4
163.07655	40.0
164.04845	10.2
164.08035	1.4
165.02005	1.7
179.07063	6.6
191.07085	2.5
192.07942	2.5
205.08743	1.9
224.06920	10.6
258.83862	1.2
271.02454	5.0
283.28668	1.5
299.01968	8.5
311.13025	9.8
312.99530	2.9
314.04422	11.9
328.02237	3.3
329.06857	14.1
329.13971	60.7
329.17975	2.9
329.23074	2.3
330.14240	4.5
344.55783	1.8
363.22574	1.6
457.33490	2.5
473.32959	9.2
489.91925	1.7
491.08734	2.1
491.19507	7.5
491.27957	4.9
491.34576	22.2
492.34314	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1934
Annotation	Toonaciliatin F
Peak:m/z	Relative Intensity
57.90223	0.9
59.01100	0.9
59.01384	14.3
64.31633	0.7
69.16378	0.7
69.52079	1.6
69.52480	3.3
71.01396	5.2
73.02934	0.9
80.98382	0.7
83.01412	0.9
85.02934	2.4
89.02434	3.4
95.01434	0.8
97.52763	0.7
101.02442	3.4
103.04033	1.0
108.02231	1.4
109.02962	0.9
113.02495	1.7
119.03513	1.1
121.02966	9.3
134.03745	3.5
135.04535	5.0
139.11292	1.2
145.02927	1.2
149.06058	4.8
161.06081	2.4
167.03378	0.9
175.07603	1.7
178.79816	0.8
181.12376	0.8
183.10278	2.2
193.08594	1.8
199.13503	0.9
225.11255	1.7
237.87064	0.7
243.12582	3.8
252.07881	1.4
268.07498	1.0
269.08191	1.8
270.08820	2.3
271.02582	0.8
278.09589	1.1
279.10068	1.8
281.08115	1.2
282.09009	1.1
283.09650	4.4
284.09863	1.7
294.08682	1.4
295.09180	3.1
296.10172	3.1
297.11310	4.4
298.11826	1.9
299.02103	0.9
299.11935	3.0
309.11261	2.9
310.11719	2.8
311.12347	5.1
313.03360	1.0
313.10873	1.0
314.04211	1.0
314.11630	6.9
315.04852	1.0
315.12234	3.0
329.06659	1.4
329.13940	13.5
343.11810	2.1
459.16574	1.0
475.16061	1.1
476.16736	1.7
491.19223	100.0
492.19653	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	491.1923
Annotation	Toonaciliatin F
Peak:m/z	Relative Intensity
54.84433	0.3
55.01878	1.0
57.03448	0.4
58.00594	0.8
59.01389	11.4
62.60570	0.3
69.03484	0.3
71.01392	8.9
71.54889	0.3
72.99312	1.3
73.02959	1.9
79.26316	0.3
79.95746	0.5
83.01388	2.0
85.02959	3.8
87.00889	1.4
89.02453	3.4
93.03474	0.6
95.01422	0.6
96.24637	0.3
97.02973	0.4
98.21717	0.5
99.00893	1.3
101.02452	6.0
108.02209	0.3
109.02969	1.3
109.90192	0.3
111.00861	0.4
113.02448	2.9
119.03503	1.1
121.02969	7.3
122.03782	0.4
125.02475	0.6
135.04486	0.9
137.02525	0.6
138.12401	0.3
145.03085	0.4
147.04550	0.7
159.04532	2.6
161.02443	0.8
161.04597	0.5
165.01915	1.0
165.05466	0.5
167.07108	0.5
171.04469	0.5
171.60831	0.3
177.01852	0.4
189.99211	0.8
209.06070	0.4
211.04131	0.5
212.04823	0.4
229.97079	0.7
240.04300	2.0
253.08794	1.2
254.05959	1.0
255.06638	3.0
263.07135	1.2
268.07373	3.6
269.08221	5.6
269.98138	1.0
270.09003	2.0
271.02554	0.9
271.09753	0.9
281.08200	12.9
282.08908	1.9
283.09781	5.8
284.09991	0.5
285.00354	0.4
296.10596	1.7
297.11343	1.3
297.97595	2.5
299.09311	5.5
299.14774	0.5
300.02820	1.1
300.10095	2.2
302.08072	1.4
312.99942	3.9
314.11664	8.1
315.05185	3.6
315.12402	4.5
316.12729	0.5
328.02295	3.3
328.09607	0.6
329.13962	11.5
329.17908	0.7
330.14389	1.2
343.11850	3.4
357.13452	1.1
431.19418	0.7
454.32938	0.3
461.14478	2.8
465.75089	0.3
475.16339	0.5
476.16895	9.2
477.17200	0.8
491.07919	3.1
491.19287	100.0
492.19589	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	491.1932
Annotation	Palmatoside G
Peak:m/z	Relative Intensity
56.17121	0.3
59.01366	1.3
61.98818	0.5
69.06545	1.8
69.06953	0.8
71.01372	0.4
77.08680	0.3
89.02457	0.5
91.04442	0.3
93.03431	0.5
97.27232	0.3
101.02467	0.6
105.21735	0.4
106.46702	0.4
108.02171	1.6
108.67461	0.3
109.02953	0.4
115.92066	1.0
119.05033	1.2
121.02942	1.8
122.03741	5.1
123.04579	1.7
124.01640	0.5
134.03734	1.6
135.04550	0.7
136.01688	1.0
136.05353	0.4
137.02435	1.6
146.03758	0.6
148.05324	1.1
149.06107	3.0
151.04079	0.4
154.02754	0.9
161.06093	1.5
162.06877	24.0
163.04008	1.3
163.07675	9.3
164.04829	2.1
170.01642	0.3
173.06100	1.0
174.05431	0.8
174.06871	9.7
175.07652	9.9
176.04807	7.1
177.05586	4.5
191.07147	4.7
192.07976	0.5
193.08669	0.7
194.05829	3.3
203.07133	0.5
243.06575	0.6
267.10233	0.8
277.08670	0.4
278.09494	0.5
279.10214	1.0
281.08139	1.4
281.11197	0.4
295.09714	1.0
296.10550	4.3
297.11206	0.4
297.97644	0.6
299.12906	21.9
300.13165	2.1
311.12949	12.2
312.13181	0.6
312.99988	1.0
328.02206	1.0
329.13965	100.0
330.14249	6.6
330.17908	0.6
491.08298	0.8
491.19238	3.5
491.27692	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2081
Annotation	Mortonol A
Peak:m/z	Relative Intensity
51.57767	0.6
54.74771	0.6
58.08567	0.7
59.01402	0.8
74.16925	0.6
85.02991	0.8
87.04515	2.7
93.03455	0.8
98.21818	1.3
108.02178	6.2
109.02953	5.6
111.00857	0.9
111.04518	2.5
121.02962	6.9
122.03734	0.9
123.00877	2.5
123.04539	4.2
124.01649	2.6
125.02464	1.2
125.06092	0.8
134.03738	3.3
134.51563	0.6
135.04536	5.0
136.01678	10.0
137.02455	8.5
145.02956	2.0
148.05334	1.8
149.06094	3.9
151.04018	8.3
159.04465	1.0
162.03198	0.9
163.04021	2.8
163.07697	1.0
164.04732	0.9
165.05544	3.0
165.09233	1.2
165.83391	0.6
173.06123	0.7
174.06920	0.7
175.07712	0.7
177.05501	1.3
177.09222	2.3
179.07124	0.8
181.08698	5.5
183.06642	1.7
186.06897	1.0
187.07684	1.3
191.07109	2.3
195.06601	1.5
197.08243	0.7
203.10843	1.0
205.08792	0.6
209.08174	1.7
221.08247	2.1
225.07692	2.1
241.05060	0.7
254.05821	1.1
255.06604	2.7
255.08897	0.8
256.07513	1.0
257.08099	0.7
265.07162	1.5
266.05804	0.8
267.06638	1.0
269.04620	0.9
269.08112	1.6
270.08966	1.4
271.09753	1.4
279.10355	1.1
281.06799	0.7
282.09100	0.8
283.06113	1.2
284.06955	3.8
284.09738	0.7
285.07614	2.0
293.08356	0.7
294.08865	0.9
295.09750	2.1
296.10648	0.9
297.11340	1.7
299.09192	6.7
307.13507	1.1
309.11221	1.3
310.11960	0.8
311.12796	4.2
312.09930	1.0
313.10739	1.0
321.11099	0.9
322.12039	0.7
323.13000	5.4
324.13577	3.4
326.66907	0.7
327.12393	0.7
337.14508	2.0
338.15344	1.7
339.16110	4.4
340.16345	0.8
349.14444	1.0
365.01337	0.7
367.15384	1.5
376.09647	1.6
391.11792	3.7
403.24738	1.6
406.14307	1.1
407.14954	2.2
447.24045	1.7
461.16281	1.9
470.11398	0.7
473.19678	2.9
476.18350	2.2
491.20786	100.0
491.33496	6.3
492.21155	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	491.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	16.5
60.80798	4.1
69.45715	26.4
73.02924	5.0
81.03471	8.8
83.01389	9.6
85.02959	100.0
85.06595	8.0
87.00890	3.7
87.04523	9.6
96.83159	4.1
109.02973	42.2
109.06606	22.8
111.00887	29.2
111.04533	88.4
113.06096	7.6
113.09735	15.3
122.03741	5.7
123.08184	22.0
123.08905	4.6
125.02444	8.0
125.06091	66.9
127.04013	8.3
127.07648	14.2
137.06064	8.9
141.09242	9.1
151.07628	17.6
153.01880	13.1
153.05568	4.2
155.07106	20.1
163.03989	7.2
165.09229	9.4
169.08675	17.7
179.07143	68.9
181.05086	87.5
181.08694	99.4
193.08690	62.8
195.06650	85.7
223.06184	33.9
223.09636	4.9
223.55965	4.9
224.06828	18.1
237.07642	41.4
238.08490	16.7
241.07199	57.7
247.13409	6.1
249.11264	39.3
255.08766	44.2
291.12405	5.4
431.20590	6.4
492.33859	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	491.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92637	1.5
69.99232	6.1
69.99611	3.4
90.04936	1.7
98.22640	1.8
103.55561	1.9
111.04530	93.0
123.08183	10.9
125.02464	3.5
143.68188	2.0
146.01079	1.7
146.43353	1.7
149.38274	1.8
152.99615	2.1
167.07153	5.6
179.07146	4.3
181.08795	3.3
182.02280	2.1
183.06650	6.3
185.04478	3.9
195.06624	11.8
209.08202	2.7
221.08142	2.0
223.06125	100.0
224.06453	5.0
225.07654	9.1
238.08522	3.0
239.09216	7.6
255.08806	28.9
272.72940	1.6
282.22601	1.8
357.13596	1.9
415.21237	7.3
442.98450	1.9
491.26785	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2291
Annotation	Scupolin J
Peak:m/z	Relative Intensity
54.52604	0.4
55.01869	1.2
55.76262	0.4
57.03439	0.8
58.00597	0.8
59.01387	7.8
69.03455	0.6
70.01505	0.8
70.01855	0.9
71.00989	0.5
71.01387	9.8
72.99300	0.7
73.02955	3.0
83.01389	1.8
85.02963	4.5
86.00120	0.5
87.00877	2.3
87.71562	0.4
89.02465	0.7
95.01426	0.7
99.00898	1.4
101.02451	3.7
108.02155	0.6
111.00908	1.4
113.02479	2.0
125.02419	0.6
149.06094	2.0
163.07635	0.5
179.07272	0.4
183.04494	0.5
211.04070	0.4
212.04813	3.2
213.05545	3.4
214.06154	0.7
225.07558	0.4
226.06125	0.4
227.07158	1.1
231.02992	0.9
240.07970	2.5
241.08696	1.9
255.10266	3.2
258.05249	0.6
283.13358	2.0
297.14963	1.4
299.12921	9.6
300.13669	8.2
301.14438	2.7
313.14395	0.6
314.15271	15.8
315.16003	15.1
316.16476	1.1
329.13980	0.7
329.17618	12.0
330.18036	0.8
343.15561	0.6
356.16281	1.1
357.16953	1.0
429.32883	0.6
461.18277	0.7
473.14743	1.6
476.20599	4.1
491.22937	100.0
491.34299	10.4
492.23291	11.1
492.30499	0.7
492.34134	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.25
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.8
57.03456	2.1
58.00574	1.8
59.01381	100.0
60.01716	1.7
61.11504	0.8
67.78812	0.9
69.24162	5.5
71.01382	39.8
72.99300	3.4
73.02950	12.7
74.50049	0.9
75.00851	1.0
83.01412	4.8
85.02952	14.9
87.00871	3.4
89.01894	1.2
89.02449	23.8
90.38977	1.2
95.01389	2.2
97.02934	1.7
99.00871	4.1
101.02442	29.1
103.04054	1.3
106.06605	5.7
108.02179	6.8
109.02952	2.3
111.00859	0.9
113.02451	15.7
114.98635	0.8
116.44828	1.0
119.03506	6.3
121.02946	4.1
122.03795	0.8
125.02453	5.8
131.03526	2.7
134.03746	2.2
135.04561	2.0
139.11293	17.6
143.03506	2.6
148.98602	0.9
149.04552	2.8
149.06053	2.6
150.05612	2.6
152.01164	7.0
153.01945	2.9
159.02983	3.0
161.04564	21.0
163.11330	1.3
165.09219	1.5
167.03442	1.0
179.05623	1.6
181.12302	8.0
183.10269	22.4
185.46233	0.9
197.15707	1.0
199.13438	2.1
225.11267	4.4
233.06808	1.1
242.02213	4.5
243.12305	11.1
252.07965	1.2
257.04425	1.0
268.07346	1.1
269.08237	2.1
270.01682	7.4
271.09753	1.5
279.10199	1.1
281.08121	1.6
283.09616	1.7
284.10367	1.7
285.04019	7.0
285.13434	2.9
295.09775	1.4
296.10522	3.9
298.01212	1.8
299.01917	1.3
299.12933	1.1
307.34790	0.9
311.09384	1.1
311.12860	12.2
313.00031	1.7
313.03543	21.1
314.00769	1.6
314.04187	2.7
314.11508	2.4
315.05142	4.1
328.02213	1.4
328.05762	7.0
329.02951	4.6
329.06473	1.6
329.10226	1.4
329.13950	18.8
330.14160	2.0
343.11819	18.8
344.12363	1.3
345.15524	1.6
359.20752	28.9
360.21121	2.2
448.12473	8.4
473.24319	5.0
491.11798	18.8
491.19287	21.4
491.24997	64.6
492.11734	4.1
492.19009	2.2
492.25983	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	491.25
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.8
57.03456	2.1
58.00574	1.8
59.01381	100.0
60.01716	1.7
61.11504	0.8
67.78812	0.9
69.24162	5.5
71.01382	39.8
72.99300	3.4
73.02950	12.7
74.50049	0.9
75.00851	1.0
83.01412	4.8
85.02952	14.9
87.00871	3.4
89.01894	1.2
89.02449	23.8
90.38977	1.2
95.01389	2.2
97.02934	1.7
99.00871	4.1
101.02442	29.1
103.04054	1.3
106.06605	5.7
108.02179	6.8
109.02952	2.3
111.00859	0.9
113.02451	15.7
114.98635	0.8
116.44828	1.0
119.03506	6.3
121.02946	4.1
122.03795	0.8
125.02453	5.8
131.03526	2.7
134.03746	2.2
135.04561	2.0
139.11293	17.6
143.03506	2.6
148.98602	0.9
149.04552	2.8
149.06053	2.6
150.05612	2.6
152.01164	7.0
153.01945	2.9
159.02983	3.0
161.04564	21.0
163.11330	1.3
165.09219	1.5
167.03442	1.0
179.05623	1.6
181.12302	8.0
183.10269	22.4
185.46233	0.9
197.15707	1.0
199.13438	2.1
225.11267	4.4
233.06808	1.1
242.02213	4.5
243.12305	11.1
252.07965	1.2
257.04425	1.0
268.07346	1.1
269.08237	2.1
270.01682	7.4
271.09753	1.5
279.10199	1.1
281.08121	1.6
283.09616	1.7
284.10367	1.7
285.04019	7.0
285.13434	2.9
295.09775	1.4
296.10522	3.9
298.01212	1.8
299.01917	1.3
299.12933	1.1
307.34790	0.9
311.09384	1.1
311.12860	12.2
313.00031	1.7
313.03543	21.1
314.00769	1.6
314.04187	2.7
314.11508	2.4
315.05142	4.1
328.02213	1.4
328.05762	7.0
329.02951	4.6
329.06473	1.6
329.10226	1.4
329.13950	18.8
330.14160	2.0
343.11819	18.8
344.12363	1.3
345.15524	1.6
359.20752	28.9
360.21121	2.2
448.12473	8.4
473.24319	5.0
491.11798	18.8
491.19287	21.4
491.24997	64.6
492.11734	4.1
492.19009	2.2
492.25983	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	491.3017
Annotation	24(28)-Dehydromakisterone A
Peak:m/z	Relative Intensity
57.03443	2.6
59.01377	4.4
60.99301	4.8
63.85196	2.1
69.19835	15.4
71.01373	4.5
78.35384	2.0
79.46078	2.4
85.02938	3.4
85.06585	2.3
95.05060	3.1
97.06603	5.9
109.02971	3.4
111.04542	4.5
113.02461	2.8
125.48822	2.1
179.07095	3.7
179.10641	2.2
180.38716	2.4
181.08752	18.4
183.06654	9.7
209.08235	6.8
215.71890	2.3
227.09392	2.8
230.33932	2.3
321.17258	8.6
344.65884	2.3
349.25217	11.9
351.27048	12.1
365.28540	22.1
367.30167	3.6
369.28003	4.1
381.28116	9.0
383.29578	2.7
385.31177	24.6
399.28958	4.7
409.75601	2.3
411.29044	7.8
413.25516	4.1
413.30618	48.9
414.30789	5.1
429.30109	16.6
430.30429	3.1
457.29733	9.0
462.30139	14.8
471.27902	4.8
473.29037	100.0
474.29211	11.9
491.30289	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	7.4
68.09310	3.3
78.95903	13.0
87.38467	3.5
94.73938	3.5
111.74033	3.3
135.14804	3.6
145.02936	11.8
152.99620	19.0
229.83635	3.6
277.55426	3.4
433.23621	7.0
491.31320	11.7
491.37668	100.0
492.37750	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	491.3387
Annotation	28-Homodolicholide
Peak:m/z	Relative Intensity
52.63335	1.1
57.03445	3.2
59.01382	2.3
67.24523	1.3
67.47758	1.1
69.31878	5.2
69.32278	2.5
70.54530	1.3
73.02945	3.9
75.85151	1.4
171.79247	1.2
181.51974	1.1
189.47902	1.3
209.69553	1.3
263.46930	1.3
284.77393	1.3
309.18445	1.4
312.99738	1.9
315.27197	2.2
341.25085	1.7
366.90561	1.3
433.29672	1.3
447.31329	2.2
473.19891	2.4
491.33945	100.0
492.34363	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	492.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37728	0.4
59.01389	1.9
61.67008	0.5
61.98837	100.0
69.17392	2.0
69.17796	0.9
71.01387	0.6
74.84018	0.4
76.82916	0.5
89.02472	1.7
94.68381	0.5
101.02491	0.9
119.03503	0.8
169.01591	0.5
205.12395	1.0
249.11455	1.3
263.69427	0.6
297.97568	0.6
356.87759	0.4
377.39493	0.5
442.63199	0.5
459.23920	0.6
493.13968	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.0639
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.1
65.00320	1.3
67.01893	0.8
69.21953	3.0
71.01370	2.1
72.99298	0.5
83.01398	0.6
85.02957	1.0
93.03448	1.1
95.01394	2.0
99.00887	1.1
107.01379	0.9
108.02190	1.0
109.02961	3.2
110.00105	1.6
111.00901	7.4
113.02448	1.4
121.02958	2.9
123.00919	3.2
123.04537	1.2
125.02476	4.5
133.02953	0.8
135.04500	1.2
136.98805	2.1
137.02420	1.0
137.99583	0.6
139.00389	19.0
139.04013	1.2
146.70268	0.5
147.04546	0.8
149.02477	2.9
151.00305	0.9
151.03992	1.5
152.01161	0.7
158.03807	0.5
159.04541	0.7
161.02464	1.2
163.00409	0.7
164.98323	1.2
165.99097	2.2
166.99881	13.2
169.01431	4.3
171.04492	1.5
175.03983	1.7
177.01897	1.1
178.99858	1.4
179.03497	1.3
181.73340	0.5
183.04514	2.3
187.03964	0.8
193.98642	0.9
194.99370	6.2
198.00941	0.5
199.03998	5.9
200.04561	0.7
201.01924	0.9
203.03493	1.3
206.99358	3.1
208.00160	2.9
213.02013	0.5
215.03511	0.8
217.05104	1.0
227.03471	4.3
231.02988	2.3
242.02310	0.7
243.03072	3.5
245.00900	0.5
245.04536	3.2
255.03047	2.2
270.01746	0.6
271.02484	5.9
272.02933	0.8
273.03922	0.7
299.01968	7.3
313.06226	0.6
317.03030	100.0
318.03305	5.5
370.38916	0.5
382.82809	0.5
404.29163	0.6
493.06006	10.2
499.98981	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52810	0.5
55.62088	0.5
59.01382	1.2
63.54098	0.5
65.00313	0.7
68.99821	0.5
69.18144	2.9
70.25079	0.4
70.61802	0.4
71.01377	1.6
76.08443	0.5
85.02953	0.7
93.03458	0.7
94.41548	0.5
95.01387	3.6
96.99370	0.5
99.00888	1.0
108.02202	0.7
109.02955	3.7
110.00098	1.4
111.00893	7.7
113.02462	0.9
121.02959	4.2
123.00857	2.4
123.04525	1.1
125.02473	1.9
133.02974	0.7
133.03932	0.5
135.00931	0.5
135.04500	0.6
136.98801	1.7
137.99594	0.5
139.00378	20.1
139.04007	1.9
141.01909	0.6
142.24352	0.5
147.04604	0.6
149.02449	2.1
151.00369	1.0
151.04015	1.8
152.01059	0.6
159.04536	0.7
163.00420	0.6
164.01100	0.6
164.98264	1.5
165.99065	2.7
166.98457	1.0
166.99872	15.1
169.00194	0.5
169.01454	2.6
170.03693	0.6
171.04527	1.8
174.03152	0.9
175.03990	2.0
177.01942	0.9
178.99852	2.1
183.04500	1.9
187.03957	0.7
193.98610	1.0
194.99371	6.9
199.04037	6.2
201.01932	1.2
201.05513	0.7
203.03473	1.5
206.99382	5.1
208.00145	4.0
213.01962	0.5
215.03450	0.6
217.05125	0.7
226.02867	0.6
227.03531	4.0
231.02951	2.0
243.03014	3.7
244.03781	0.5
245.04579	2.6
254.02336	0.6
255.02950	2.3
270.01785	0.7
271.02466	7.0
272.02975	1.0
273.03958	1.1
287.02228	0.8
299.01962	7.5
317.03030	100.0
318.03329	6.6
334.39737	0.5
493.06049	8.8
494.06818	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.063
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.7
63.02399	3.4
64.93283	0.4
65.00330	5.5
69.03645	1.5
69.04066	1.9
71.01392	2.1
71.02888	0.4
72.99335	0.6
73.02953	0.5
81.03432	0.5
83.01389	3.9
87.00887	0.5
89.02440	0.5
98.22518	1.1
101.02443	0.9
107.01398	10.7
109.02969	7.6
113.02469	1.5
123.00875	0.6
125.02460	7.6
125.57110	0.4
135.04510	0.5
137.02454	19.7
138.02844	0.4
143.05119	0.7
145.51544	0.5
146.03745	0.6
146.10759	0.5
151.00378	34.9
152.00746	0.9
161.02507	0.6
161.06058	0.7
163.00375	2.8
164.01144	0.7
165.01929	1.9
168.00613	0.4
169.01422	6.8
171.04549	0.5
175.04106	0.5
178.99873	25.6
179.03481	0.8
180.00175	0.8
183.04468	0.7
185.02565	0.4
192.00658	1.8
193.01401	1.4
193.03459	0.9
199.04021	1.3
203.03487	1.3
214.02686	0.5
215.03510	0.8
227.03531	2.5
231.03232	0.7
243.03029	3.2
245.04550	0.9
255.03052	0.8
261.04108	1.2
271.02487	6.4
274.95560	0.4
281.00946	0.8
287.02133	0.6
299.02072	3.2
303.58704	0.4
313.05780	2.1
316.02267	2.3
317.03030	100.0
318.03375	6.5
337.68549	0.5
389.97949	0.5
493.06268	14.2
493.13486	4.0
494.06482	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09366	1.0
53.42947	1.1
59.01099	1.4
59.01383	25.2
61.98820	2.7
65.00323	3.4
65.14010	1.0
68.99953	8.3
71.01387	17.4
71.05025	14.5
72.99305	8.7
73.02956	4.4
76.96823	1.1
77.03956	2.1
79.01898	7.3
83.01380	3.2
85.02955	9.2
87.00861	2.4
89.02455	10.8
93.03467	2.5
95.01397	1.6
95.05048	2.1
96.35899	1.2
97.02971	6.7
99.00877	2.0
101.02438	8.4
103.00333	1.6
106.91927	1.1
108.02174	2.1
109.02950	5.4
113.02468	11.9
119.03503	3.7
120.38533	1.3
120.99654	2.1
121.02966	15.9
123.00919	1.2
123.04538	11.0
125.02458	3.6
129.01924	1.7
131.03484	2.2
133.02974	4.2
134.03749	3.8
135.04579	7.4
137.02455	6.9
138.03311	3.0
138.38072	1.2
139.00394	2.1
139.04030	97.6
140.04362	2.5
145.02931	1.6
149.02446	6.4
150.03241	4.2
151.00377	2.9
151.04016	9.6
161.02472	8.6
161.04573	2.8
163.00349	1.6
163.04057	1.9
164.04749	1.9
165.01942	30.4
165.05548	4.8
166.02724	10.8
167.03508	24.4
169.01463	1.4
169.05048	1.7
174.03230	2.4
175.02534	2.4
175.03979	11.5
175.19388	1.2
177.01942	25.8
178.02641	1.7
178.99837	1.8
179.03505	3.7
179.05603	3.4
183.03000	3.0
185.06032	1.7
185.11916	1.3
188.04800	1.4
189.01959	1.1
189.05515	3.0
190.02765	1.3
191.03481	3.6
193.01421	20.0
193.03497	10.5
193.05101	4.7
195.02940	3.7
199.03958	4.5
201.01935	4.1
202.06375	1.5
203.07137	2.9
207.02919	2.0
211.06071	8.3
213.05643	8.8
216.04250	1.6
217.05000	3.3
227.07155	2.2
229.05127	1.6
231.06584	5.0
243.03067	2.8
245.08151	1.9
255.06720	12.9
271.06247	1.7
273.07629	7.5
281.06693	2.1
289.07104	9.2
299.02469	3.7
299.05606	100.0
300.05914	6.1
313.10867	2.6
317.03082	9.2
317.06625	88.9
318.06973	5.3
323.07904	1.9
331.08334	1.9
331.12225	1.4
341.06537	1.5
433.24316	4.5
493.09714	11.4
493.13531	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	493.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15981	0.6
54.99242	0.6
59.01373	1.3
69.03462	3.7
69.14532	0.7
69.14751	1.6
69.15159	3.7
71.01370	1.4
79.01886	1.4
81.03438	0.6
83.01377	2.3
85.02950	1.5
88.40367	0.6
95.01374	1.9
97.02959	4.6
98.21793	1.6
106.35286	0.7
107.01379	1.9
107.05012	2.2
108.02144	0.9
109.02968	1.2
121.02930	1.2
123.00896	8.8
123.04488	1.0
124.01672	26.4
125.02458	55.2
126.02798	1.2
135.04510	1.1
137.02463	8.2
139.04008	2.2
149.02487	0.9
149.99597	40.7
151.00401	3.8
151.03996	1.5
165.01862	0.8
168.00648	65.8
169.01395	6.8
179.03523	5.5
276.28946	0.8
313.05640	8.2
331.15085	1.1
475.08936	3.0
493.09912	100.0
494.10199	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10617	1.3
57.03450	1.9
58.03823	1.5
59.01382	32.8
61.98831	4.6
69.03448	4.2
70.83300	1.3
71.01387	20.9
71.37664	1.3
72.99317	2.1
73.02942	3.3
81.03506	1.3
83.01398	3.1
85.02944	8.7
85.06591	3.7
87.00877	5.4
89.02450	19.9
93.03470	3.0
97.02972	3.4
99.00896	2.1
101.02451	17.8
101.92438	1.3
107.01407	2.9
107.05014	3.3
108.02188	6.4
109.02956	5.0
111.00925	2.2
111.04503	2.2
113.02491	9.9
119.03497	8.7
119.04987	1.4
121.02943	4.6
122.03736	7.7
123.00867	12.2
123.04531	10.2
124.01685	20.0
125.02456	32.1
135.04453	2.3
136.01678	2.3
137.02492	11.6
137.06079	1.9
139.00363	2.5
139.04005	3.6
148.05322	11.8
149.02467	3.3
149.06055	3.6
149.99588	22.6
150.05730	1.6
150.06921	2.2
151.00349	5.1
151.04007	6.9
152.01157	5.3
153.01846	1.9
153.05591	16.0
154.02579	1.2
161.04538	2.5
163.04030	2.9
163.07678	8.7
164.04788	3.1
165.01958	2.8
165.05614	2.8
166.06277	2.2
167.03545	2.8
167.07132	2.4
168.00648	37.3
168.01999	1.3
169.01399	5.8
177.09206	1.4
179.03484	8.4
179.05702	1.5
179.07091	3.0
180.04282	4.5
181.05119	4.8
182.05835	2.2
193.05035	1.5
193.08707	3.4
194.09438	2.3
195.10228	5.7
204.04335	3.9
207.03024	2.1
209.08110	1.7
229.05022	2.0
231.06737	1.5
244.07634	1.6
287.09320	2.2
287.12610	1.7
298.12112	2.7
301.16373	1.6
303.08719	3.0
313.07486	7.8
313.14499	8.5
315.04428	1.7
316.02063	1.5
317.02988	2.1
323.15073	2.3
329.13602	1.6
330.14328	3.6
331.05002	7.2
331.08301	4.5
331.12177	3.8
331.15503	100.0
332.15771	6.3
371.54901	1.4
465.14807	1.7
475.12897	3.1
492.33841	1.9
493.09241	50.3
493.20941	7.2
493.27075	2.7
494.09784	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	493.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	0.9
61.98841	0.5
65.00331	0.9
69.14631	3.1
71.01393	0.4
72.99377	0.4
89.09515	0.4
93.03471	0.6
95.01411	0.7
105.54653	0.4
109.02959	0.4
110.00098	8.4
111.00917	1.3
121.03004	0.5
123.00934	1.3
125.02503	2.5
136.98817	2.0
137.02425	0.5
137.99608	4.5
139.00389	9.3
139.04062	0.6
140.01279	0.5
141.99185	0.4
147.04552	0.7
149.02457	3.2
149.99643	0.9
151.00433	0.6
157.63748	0.4
160.38834	0.4
161.02512	0.5
164.04877	1.8
164.98286	4.8
165.05643	1.3
165.99091	16.5
166.99879	4.1
169.01445	4.6
171.04506	0.6
175.00352	0.4
177.99255	0.6
178.99918	0.7
179.07179	0.9
187.04120	0.6
189.01924	0.5
193.04559	0.4
193.98584	1.9
199.03976	0.9
203.03578	0.8
205.98589	0.6
215.03542	0.7
227.03517	0.6
231.03069	0.6
243.02954	2.7
244.03767	0.7
255.02994	0.6
259.02533	0.7
271.02521	2.6
287.01993	2.8
313.05716	1.6
315.01474	11.4
316.02246	54.4
317.02560	3.2
330.03876	4.2
331.04596	100.0
332.04919	6.0
418.26297	0.4
486.23273	0.4
493.09451	13.2
494.09976	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75656	0.6
59.01369	1.4
65.25081	0.7
66.84335	0.6
69.03483	0.7
69.44532	2.8
71.01360	1.6
78.95934	0.7
80.07566	1.0
85.02928	0.8
95.01408	0.7
97.02959	0.7
107.01422	1.2
110.49941	0.6
110.97600	0.8
111.00944	0.8
120.99659	1.9
123.00900	2.8
124.01674	3.7
125.02455	56.9
126.02793	0.9
127.23064	0.7
137.02487	0.8
139.00383	1.2
139.03989	1.0
151.00357	1.4
167.03372	0.7
168.00644	7.4
169.01437	100.0
170.01764	2.2
177.01956	0.8
187.00417	1.2
193.01434	0.8
211.02435	3.0
214.99884	1.3
219.20114	0.6
222.56950	0.6
230.99271	0.8
271.04602	1.9
313.05566	0.9
331.06723	83.8
332.07019	3.9
373.07581	1.5
403.08844	1.0
421.03809	1.0
433.09879	2.7
449.03671	1.5
493.11990	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	493.1371
Annotation	Polygalaxanthone VI
Peak:m/z	Relative Intensity
51.57177	0.8
58.45167	0.8
59.01391	5.1
67.01908	0.8
69.71910	1.4
69.72321	2.7
71.01372	2.5
85.02959	1.4
89.02434	1.4
91.05553	0.8
95.01458	0.7
101.02446	2.1
107.05038	1.1
108.02184	56.4
109.03055	0.9
113.02447	1.3
113.33897	0.8
119.05054	3.6
121.02936	0.9
122.03777	1.4
123.00907	2.6
123.03635	1.7
123.04536	34.0
124.01663	1.0
135.04536	37.7
136.04869	1.7
137.06093	1.4
139.04091	0.7
148.01643	2.3
162.03215	2.4
163.04025	58.1
164.04356	2.2
169.05144	0.9
179.03537	1.6
181.05003	1.3
183.10304	3.7
203.03387	0.9
206.02200	0.8
207.02997	100.0
208.03343	4.4
246.21439	0.8
267.10919	1.5
271.02414	1.3
273.02954	1.3
300.02716	1.3
301.03189	1.6
302.03311	3.4
315.05069	2.2
316.05463	2.2
317.05759	5.3
325.09482	2.3
331.08258	55.1
332.08478	3.9
369.08154	7.2
433.24066	1.2
493.13571	69.2
493.22507	3.2
494.13928	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	493.1357
Annotation	Ericifolin
Peak:m/z	Relative Intensity
52.63860	1.4
59.01397	3.9
61.98847	2.0
63.02408	1.7
65.00335	3.7
69.03458	2.3
69.15578	1.5
69.16170	9.3
71.01411	6.5
78.95914	2.4
79.01899	1.8
83.01402	3.2
85.02963	3.4
89.02478	3.2
93.03502	4.0
95.01420	3.1
96.97003	2.2
97.03006	1.6
101.02486	3.4
107.01405	17.5
108.02212	1.8
109.02966	12.4
111.00909	2.9
113.02499	3.0
120.99648	1.4
121.02956	2.5
123.00901	10.3
123.04571	2.8
125.02462	64.2
134.03769	1.8
135.04533	26.4
137.02455	26.1
139.00420	6.0
140.01181	3.7
141.01924	1.6
145.03188	1.4
146.03760	10.3
149.02539	2.0
151.00391	45.8
151.01569	2.7
151.04053	3.8
152.01050	2.1
153.02007	1.9
161.02458	3.2
161.06096	3.6
163.00452	4.1
163.04047	1.9
164.04901	7.2
165.02020	2.5
165.05632	3.1
167.03537	1.9
168.00758	5.6
169.01447	82.5
170.01772	2.1
178.99875	20.4
179.03511	17.4
179.07227	6.4
191.05714	1.4
192.00729	2.1
193.01443	2.0
199.04027	2.2
211.02498	2.3
215.03618	1.4
227.03554	2.9
229.99045	2.1
243.03096	3.4
250.03752	1.6
257.08344	1.6
261.04153	1.6
271.02631	6.1
275.02100	1.4
281.06592	1.5
281.78088	1.4
287.02133	2.3
287.07864	1.8
299.02066	3.7
300.99982	1.9
313.05701	26.6
316.02338	1.6
317.03046	100.0
318.03610	5.0
331.06693	12.3
359.96970	1.7
493.07690	4.9
493.13843	58.7
494.14120	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	493.1356
Annotation	Ericifolin
Peak:m/z	Relative Intensity
59.01377	3.3
61.98842	3.7
62.42571	0.8
68.99818	0.8
69.12353	7.1
70.34538	1.0
71.01392	4.8
73.02947	1.8
79.01871	1.2
83.01401	1.4
85.02963	1.8
89.02453	1.4
95.01398	1.2
97.02957	0.9
98.22576	1.7
101.02451	2.4
107.01400	11.9
108.02213	2.2
109.02924	2.3
111.00868	2.0
113.02478	2.4
121.02943	1.0
123.00897	9.8
123.04549	1.7
124.01711	2.5
125.02457	49.8
126.02812	1.1
132.05824	0.8
135.04512	1.1
137.02467	2.6
139.00375	3.7
140.01147	2.4
141.01915	1.3
149.02504	1.1
149.06021	0.9
150.03223	2.8
151.00420	6.0
152.01172	1.5
153.01952	2.0
153.05603	2.3
163.04018	2.1
164.04807	73.7
165.05510	6.4
167.03487	1.2
168.00661	3.4
169.01434	60.3
170.01720	1.5
175.07654	2.3
176.08324	1.0
177.01956	0.8
179.03612	1.5
179.07152	53.6
180.04324	0.9
180.07449	1.4
181.05031	1.2
183.03139	1.7
207.02943	1.8
211.02605	0.8
229.05031	1.0
241.03596	0.9
255.02815	1.0
272.10535	3.1
287.12842	5.5
313.05637	38.2
314.06073	2.4
327.07327	1.6
327.10858	1.2
331.08173	3.6
331.11996	2.6
341.12393	4.1
493.13541	100.0
494.13800	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	493.1356
Annotation	Ericifolin
Peak:m/z	Relative Intensity
52.39479	1.6
55.09234	1.6
59.01381	8.6
61.98835	60.0
69.03452	5.0
69.50417	1.5
69.63203	1.6
71.01392	10.3
73.02951	2.7
76.70765	1.8
81.03465	2.6
82.95416	2.5
83.01387	4.3
85.02950	2.4
89.02441	4.0
93.03452	10.6
95.01392	3.4
97.02962	4.1
101.02444	7.1
107.01397	15.6
107.05030	13.0
108.02165	4.0
109.02966	8.0
111.00925	2.7
113.02454	3.4
119.05018	2.0
121.02956	5.9
123.00909	17.4
123.04519	6.2
124.01697	20.3
125.02457	100.0
126.02760	2.6
135.04514	4.7
137.02473	17.4
138.74187	1.9
139.00377	5.2
139.03906	2.0
140.01187	3.2
147.04521	2.9
149.02385	2.2
149.99605	29.5
150.03247	1.6
151.00388	10.0
151.04002	5.4
152.01163	2.5
153.01875	3.5
163.03986	2.1
164.04800	87.0
165.01915	2.7
165.05510	6.9
167.03474	12.6
167.10767	2.1
168.00650	52.5
168.04248	2.6
169.01436	75.5
179.03540	6.0
179.07147	54.6
180.07469	3.0
181.05110	4.2
181.08701	2.6
183.03003	4.2
191.03705	2.1
195.06628	2.1
197.04510	3.4
209.08165	2.8
211.02432	1.7
227.03546	3.4
227.07098	2.3
243.06519	2.7
255.02989	4.3
273.07715	3.0
284.03278	4.5
285.04037	5.4
299.98285	2.3
300.99020	3.3
301.16586	3.0
313.00159	3.0
313.05658	52.0
313.13046	6.7
314.00351	3.5
314.05875	2.8
315.00787	7.1
316.02151	13.0
327.07190	2.3
329.02979	3.7
330.03024	3.7
331.04214	14.8
341.08771	7.3
341.12442	2.9
347.24390	3.2
431.09915	9.7
433.20905	4.4
475.09027	3.0
492.61514	3.4
493.09427	44.6
493.13644	55.4
493.29691	8.5
494.09698	5.5
494.14597	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38240	4.2
59.01384	33.1
59.84209	4.4
71.01382	24.9
72.67726	4.7
74.99100	8.2
79.88235	4.4
87.00876	5.6
89.02465	20.4
98.22523	16.6
101.02446	13.2
106.03553	4.5
113.02472	10.0
120.99670	100.0
125.02419	10.4
151.04008	7.5
161.04614	9.0
167.98874	11.9
169.01398	8.9
179.03539	34.1
179.24422	5.6
183.01178	14.4
184.01884	8.7
194.05855	21.1
197.02853	8.8
199.04373	5.6
209.08197	73.4
243.06946	17.0
405.11902	6.0
493.13766	52.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.157
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	73.5
65.53489	6.5
71.01376	41.1
71.27361	9.0
73.02941	8.4
74.99055	7.9
85.02983	13.2
87.00870	8.2
89.02454	29.7
99.43021	5.8
101.02467	21.3
103.04057	14.3
119.03480	12.5
120.79819	6.8
120.99674	100.0
125.02466	23.4
125.90912	6.2
163.06189	12.7
169.01450	15.4
179.03505	25.7
182.00435	8.3
183.01237	8.2
184.02052	7.4
194.05878	20.4
197.02795	9.1
209.08156	70.2
240.17934	6.4
243.06993	19.4
292.67667	7.2
307.10419	9.1
329.41281	6.5
493.13837	40.0
494.13864	12.4
509.37515	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	493.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01092	1.6
59.01380	31.2
61.40291	0.7
61.98824	1.1
65.00319	0.8
67.01883	1.1
69.03436	1.0
69.31219	1.0
69.33057	4.1
69.33473	1.2
71.01385	15.5
72.99303	1.6
73.02946	5.2
75.00872	2.8
78.95893	1.1
79.01919	0.9
83.01390	3.4
85.02960	5.9
87.00887	1.8
89.01437	0.8
89.02447	8.6
93.03477	2.8
95.01405	3.0
96.74184	0.9
96.96027	0.8
96.96984	2.5
97.02958	1.3
99.00893	1.3
101.02454	9.5
107.01385	7.9
109.02964	2.3
111.00886	4.4
113.02464	5.7
119.03520	3.3
119.05051	4.5
120.99634	0.7
121.02953	5.1
123.00891	13.7
123.04553	1.5
124.01706	2.2
124.17595	1.1
125.01538	1.7
125.02454	30.9
127.00395	1.2
134.03687	4.0
135.04529	2.4
136.01678	6.0
136.98807	2.2
137.02435	6.3
139.00374	6.3
139.03986	1.9
140.01190	4.0
141.01921	1.3
143.03522	1.5
144.62355	0.8
149.02466	2.1
149.06113	2.8
150.03226	1.9
151.00401	10.1
151.04031	5.0
151.06203	0.8
153.01938	2.3
159.03044	1.0
161.04576	4.3
163.03992	1.7
164.04791	1.6
164.98367	1.0
165.01924	1.1
165.05443	1.1
165.99069	1.1
167.03497	2.0
167.07123	1.3
168.00658	10.0
169.01431	51.3
170.01749	1.2
177.04077	2.6
178.99884	1.4
179.03491	1.6
179.05608	1.6
179.07085	1.7
181.05037	0.9
183.10226	1.1
185.08185	1.7
193.01468	0.9
193.05064	0.9
195.06664	1.0
211.02477	37.7
212.02898	1.7
241.03676	1.1
259.02368	1.2
271.04599	37.5
272.04996	1.5
281.06680	3.2
287.01956	8.6
288.02338	1.0
297.06210	1.5
312.77817	0.9
313.05728	2.6
315.01450	5.5
316.02106	1.1
317.03003	7.1
318.71976	0.9
330.03845	3.9
331.08194	1.8
331.17877	1.1
431.13992	0.9
433.11523	1.7
433.24402	6.6
475.12589	1.5
493.10696	6.3
493.17343	100.0
494.17813	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	493.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00576	0.4
59.01387	6.3
65.00331	0.4
67.01897	1.0
68.99801	0.5
69.03453	0.7
69.25218	0.7
69.25624	1.7
71.01388	4.2
72.99298	1.5
73.02921	0.4
75.00863	0.5
79.01881	1.0
83.01398	1.1
85.02959	1.5
87.00899	0.6
89.02449	2.0
95.01385	1.9
97.02953	0.7
101.02475	2.1
107.01404	6.3
109.02939	0.4
111.00886	3.1
112.17522	0.4
113.02499	1.0
123.00905	12.0
124.01681	2.0
125.02464	24.2
126.02809	0.7
127.00380	1.0
134.03835	0.5
135.04549	1.2
136.98817	1.4
137.02432	0.8
139.00380	5.4
140.01173	4.5
141.01953	1.4
149.06107	0.5
150.03172	0.5
151.00389	7.7
153.01929	1.5
154.99844	0.4
161.02505	1.2
165.01944	0.6
165.05630	0.7
167.03523	1.3
168.00670	8.0
169.01442	35.4
170.01810	1.2
177.04037	2.1
177.05469	0.7
179.03551	1.9
181.05104	0.6
184.70856	0.4
189.98436	0.4
193.01529	0.4
193.05081	0.9
211.02507	27.7
212.02815	0.8
221.04646	0.5
241.03580	0.7
251.05469	0.5
271.04614	27.2
272.04959	0.8
281.06696	0.9
301.00186	0.5
313.05652	0.9
317.03268	0.7
329.05023	0.5
331.06931	0.5
341.09146	0.6
493.17215	100.0
494.17441	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	493.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40493	0.7
54.09669	0.6
57.03436	2.5
59.01384	46.7
67.01905	1.0
68.99832	1.5
69.03458	1.0
69.85906	0.7
71.01384	15.1
72.99300	3.4
73.02959	4.7
75.00876	6.8
77.66623	0.6
85.02953	12.1
87.00879	3.9
89.02445	8.9
89.08013	1.1
95.01390	2.6
99.00880	6.5
101.02441	5.1
109.02954	0.8
111.00905	0.9
113.02451	11.3
115.00407	1.8
117.01918	1.4
119.03503	2.8
123.04595	1.3
124.01696	1.1
125.02446	1.7
127.04002	1.1
130.30977	0.7
137.09785	1.6
139.11298	13.5
143.03566	0.9
149.04601	1.1
153.01965	1.1
155.10796	10.9
157.01404	1.0
161.02534	1.0
161.04579	2.5
168.00668	2.6
169.05025	2.1
175.02477	1.8
179.05708	0.9
181.12329	5.9
183.10274	11.8
199.09776	7.6
199.13481	1.3
225.11356	3.2
231.05183	0.8
243.12381	4.4
249.06157	11.0
269.98026	6.6
270.98438	4.8
271.98563	8.7
285.00378	2.8
286.00729	2.6
287.00888	5.5
297.97531	9.6
298.97906	10.9
299.98041	17.7
300.98660	0.9
312.99921	14.6
313.10880	0.9
314.00229	19.5
315.00433	37.7
316.00671	1.4
317.03009	1.6
317.15985	4.7
328.02292	8.6
329.02548	11.0
330.02817	28.9
331.03125	1.4
331.06842	1.3
431.19110	2.9
433.17166	3.5
433.24255	3.7
451.32675	1.8
475.18210	5.1
478.06451	5.1
485.23749	0.8
493.08884	43.7
493.19260	100.0
494.09027	2.7
494.19547	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	493.193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48149	2.1
55.01877	3.0
57.03437	5.2
58.00585	5.0
59.01384	100.0
61.98821	4.1
69.03456	6.2
71.01389	62.5
71.29202	3.2
72.99300	5.9
73.02953	54.5
75.00850	2.3
83.01394	4.3
84.86648	1.9
85.02947	15.8
87.00892	13.9
89.02454	53.2
93.03483	10.1
93.07089	3.2
95.00733	1.8
95.01381	4.6
96.96958	3.3
99.00871	8.3
101.02455	37.0
103.04007	2.7
104.98217	4.0
107.01390	6.1
108.02173	5.9
109.02956	9.3
109.06605	3.6
111.00905	4.5
111.08172	2.6
113.02456	20.4
117.01941	7.9
119.03513	22.0
123.00924	3.0
123.04510	4.6
123.08128	2.8
124.01645	3.7
125.02454	17.9
125.06089	5.0
127.07652	15.2
131.46190	2.2
134.03741	8.0
135.04532	9.4
137.01477	2.9
137.02466	30.1
137.06096	14.2
139.11278	5.4
139.81235	1.9
143.95140	2.0
147.94386	1.8
149.06085	6.5
151.00357	16.6
151.04019	7.2
152.04797	2.7
153.01872	2.3
155.07152	11.8
158.47226	1.9
161.04604	10.9
163.04001	3.7
164.04787	2.7
165.09218	5.9
167.03468	2.7
169.01472	11.7
169.46088	2.0
178.99808	9.8
179.03468	2.8
179.05595	9.0
179.06967	2.5
183.10283	24.8
195.02951	2.2
197.11873	18.2
209.73875	2.0
225.11348	42.9
271.02353	2.5
281.06668	10.0
285.04587	3.3
317.03021	40.7
318.03473	3.5
331.07965	5.0
331.17871	2.3
359.00250	2.2
431.13388	7.8
432.50049	2.2
433.24335	14.1
491.75665	2.2
493.13025	17.7
493.18866	76.1
494.19577	6.3
517.32843	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64012	0.7
55.01868	1.8
57.03445	3.1
59.01382	50.6
63.21426	0.6
67.01904	1.0
68.99821	1.1
69.03434	1.1
71.01388	18.1
71.28225	0.9
72.99310	4.8
73.02950	4.6
75.00875	11.0
83.01383	2.5
85.02958	13.8
87.00885	6.1
89.02462	7.9
93.03439	1.5
94.07388	0.6
95.01379	3.0
97.02940	1.0
97.16152	0.6
99.00898	9.0
101.02449	4.8
102.73566	0.7
103.00370	1.1
107.01410	1.0
108.02179	1.9
109.03001	0.8
111.00903	1.0
113.02457	12.9
115.00414	2.2
117.01952	1.9
119.03510	2.6
120.99703	1.6
123.04541	2.7
125.02471	2.4
129.01961	1.1
129.29276	0.7
135.03317	0.8
135.04439	1.4
137.02515	1.0
139.00473	1.0
139.04013	0.9
139.11302	14.6
151.00363	2.3
151.03996	0.8
153.01974	5.2
155.07155	0.7
157.01480	0.9
160.04048	1.5
161.04555	2.7
163.03981	2.1
163.11360	0.7
165.01935	1.6
165.28305	0.9
167.03535	5.3
169.01425	1.2
175.02528	1.7
178.99757	1.3
179.05606	1.2
179.07080	0.8
180.27898	0.7
181.12381	5.6
183.10277	15.3
199.13429	1.6
207.02991	1.9
225.11359	3.4
243.12357	3.2
249.06093	4.1
267.07169	1.5
299.02081	1.4
317.03101	1.7
317.16028	5.1
331.08270	3.4
431.19171	2.2
433.17511	4.2
433.24292	2.9
475.18289	6.7
493.19254	100.0
494.19614	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	493.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81770	0.3
59.01376	1.2
61.98817	0.5
69.79673	1.0
71.01377	1.1
73.73030	0.3
79.95721	0.5
87.00896	0.3
89.02452	0.7
96.96011	0.4
101.02438	0.7
108.02198	1.4
109.02975	0.5
111.00838	0.3
113.02522	0.3
119.03462	0.4
119.05019	0.3
120.99606	0.6
121.02974	1.4
122.03757	6.5
123.00912	0.3
123.04543	3.0
124.01657	0.9
125.02417	0.8
136.05257	1.2
137.02461	2.6
137.06105	0.5
139.07622	0.6
145.03008	0.5
147.08162	0.6
148.05278	1.0
149.06073	1.1
150.06885	1.1
150.76811	0.3
151.00372	0.5
151.03979	0.4
154.02686	1.2
163.04051	0.5
163.07626	0.9
164.04700	0.3
165.05568	0.8
166.06378	2.2
167.03535	0.5
167.07152	2.0
169.01437	0.6
177.01964	0.3
177.05559	1.5
179.03484	0.5
180.04343	0.4
182.05852	1.1
192.07895	0.5
193.08702	2.3
194.09477	2.3
195.10287	4.8
208.07413	1.5
209.08183	0.8
299.12955	0.7
301.03412	0.4
316.02377	0.7
316.13199	0.3
331.15515	100.0
332.15872	6.7
493.08508	0.4
493.20773	3.3
493.28220	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2086
Annotation	Amritoside D
Peak:m/z	Relative Intensity
50.48573	0.7
57.18268	0.6
58.00578	1.1
59.01382	13.6
61.98819	1.8
71.01047	0.7
71.01393	10.2
72.99305	1.1
73.02949	1.0
75.00885	4.4
83.01376	1.5
85.02957	2.3
87.00883	4.0
87.61678	0.6
89.02451	7.4
91.77612	0.6
93.03448	0.8
95.01383	0.8
95.95461	0.7
98.21816	1.7
101.02464	5.8
108.02161	2.4
109.02956	1.3
113.02470	4.3
119.03506	3.7
121.03004	1.2
122.03751	5.3
123.00900	0.9
123.04508	2.7
124.01685	1.1
125.02421	2.6
133.02957	1.1
135.11804	0.6
136.05338	1.1
137.02469	2.7
139.04112	0.6
143.03513	0.9
148.05309	8.0
149.06075	2.2
150.06879	0.8
154.02794	0.7
161.02489	3.7
163.07639	5.3
165.01932	0.9
166.06323	1.7
167.07129	2.3
169.01396	1.7
177.05562	1.7
178.14076	0.7
179.07152	1.2
181.05067	0.8
182.05840	1.1
193.08711	1.8
194.09492	3.1
195.10286	4.5
208.07408	1.3
209.08315	0.9
228.82335	0.7
313.14496	2.9
329.12823	0.8
331.15515	100.0
332.15958	7.3
361.86182	0.7
403.17648	1.2
449.28998	0.8
493.21066	9.6
493.30414	5.2
494.31192	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21712	0.3
59.01365	1.2
60.60380	0.4
61.98811	0.8
68.66961	0.3
69.02207	0.6
69.02612	1.8
69.56496	0.3
70.64738	0.2
71.01381	0.8
75.54471	0.3
79.95705	0.4
81.32935	0.3
89.02457	0.5
96.96024	0.4
101.02451	0.7
108.02189	1.1
109.02937	0.4
113.02452	0.5
119.03532	0.3
119.05027	0.3
120.99680	0.5
121.02948	1.9
122.03749	5.5
123.00847	0.3
123.04558	2.6
124.01627	0.8
125.02453	0.8
135.04555	0.3
136.05312	0.9
137.02438	2.5
137.06093	0.5
139.07664	0.5
148.05334	0.6
149.02469	0.3
149.06052	1.1
150.06857	0.6
151.00427	0.5
153.05547	0.3
154.02744	1.4
163.04008	0.5
163.07611	0.6
165.05530	0.7
165.99046	0.5
166.06367	1.6
167.03493	0.5
167.07150	2.4
177.01955	0.3
177.05589	1.0
181.05034	0.4
181.08704	0.3
182.05862	0.9
191.20740	0.3
192.07927	0.8
193.05046	0.4
193.08702	2.2
194.09435	1.9
195.10260	4.1
207.06781	0.3
208.07512	1.6
209.08098	0.5
241.05229	0.3
241.71432	0.3
291.98615	0.3
299.12866	0.8
301.03415	0.5
316.02243	0.6
316.13116	0.4
331.04968	1.8
331.15509	100.0
332.15802	7.7
380.99243	0.6
424.54840	0.4
493.20871	2.7
493.27472	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.6
57.03444	2.6
58.00589	1.0
59.01386	57.3
60.01688	0.6
61.98827	2.6
71.01391	18.4
71.26501	0.6
72.99313	1.5
73.02956	6.8
75.00874	1.3
81.03415	0.7
83.01401	3.2
85.02959	8.5
87.00877	2.2
87.04525	1.3
89.02457	12.1
93.03455	4.7
95.01402	1.7
97.02973	1.1
99.00904	2.4
101.02453	12.2
105.05592	2.1
107.01396	2.5
107.05014	0.6
108.02180	2.4
109.02965	1.5
111.00885	1.4
113.02464	7.1
114.67559	0.6
116.92881	0.8
119.03500	3.2
120.99652	0.8
121.02946	1.7
122.99227	0.6
123.00909	3.6
123.04530	2.4
125.02460	11.8
127.04038	0.9
129.01938	0.6
131.03482	0.9
134.03738	1.0
135.04520	1.6
136.98933	0.8
137.02457	11.7
137.06116	1.3
139.00400	1.4
139.04037	4.4
139.11304	30.3
140.01118	1.4
140.11656	1.4
141.02011	0.9
143.03477	1.3
149.06108	4.4
150.03287	0.8
151.00392	2.8
151.03996	0.9
153.01941	0.9
155.10802	1.7
159.03017	1.1
161.04553	6.1
163.04016	2.4
163.11292	2.1
164.04750	1.2
165.01956	1.3
165.05565	0.9
165.09225	1.5
165.98953	0.7
166.02678	1.6
167.03493	1.5
168.00696	1.1
169.01439	11.4
169.05103	1.5
169.06587	1.1
169.12292	0.8
172.15320	0.6
173.94783	0.6
176.01231	0.8
177.01938	1.2
179.05630	3.6
179.07149	1.6
181.05099	2.0
181.12367	9.6
183.10278	45.8
184.10591	1.9
190.02740	1.2
191.03490	1.0
193.01379	0.8
199.09714	1.7
199.13402	0.8
205.05081	1.0
207.02966	2.6
225.11391	4.6
243.12384	2.1
267.10718	2.9
299.05673	1.1
311.07706	1.1
313.05539	3.3
313.10956	0.9
316.02234	1.2
317.02951	0.7
317.06403	0.8
322.26962	0.6
331.04584	2.1
331.08203	1.3
331.11673	0.8
331.17551	1.5
347.24384	2.8
367.10449	1.1
433.11578	2.7
433.20309	1.1
433.25269	1.0
475.21780	7.5
476.22333	1.2
493.13647	19.6
493.22906	100.0
494.14178	2.2
494.23267	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	493.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58571	0.9
55.01889	1.4
57.03435	2.5
58.00591	4.6
59.01383	100.0
61.98820	1.8
63.02408	1.6
65.00320	2.7
66.01272	0.8
68.53372	0.8
69.03448	2.0
69.06820	7.7
71.01387	55.0
72.01712	1.4
72.99297	3.8
73.02950	16.7
75.00863	2.4
78.95887	1.6
79.01947	0.9
83.01393	5.8
85.02956	13.2
87.00874	5.1
89.02451	50.7
93.03436	1.5
93.07111	0.9
95.01391	4.7
96.95998	1.3
96.96973	2.3
97.02921	1.1
99.00874	3.6
101.02451	34.6
102.98592	1.6
103.74463	0.8
104.98176	1.9
107.01408	8.3
108.02193	1.4
109.02972	7.5
111.00876	2.1
113.02462	22.4
117.01986	1.2
119.03506	26.0
121.02979	1.5
123.00897	3.3
123.04505	1.9
123.08193	1.4
124.01694	1.4
125.02456	18.6
127.07649	3.0
131.03497	2.4
134.03694	2.1
135.00864	1.3
135.04549	6.9
136.01657	1.1
137.02449	17.9
137.06117	3.3
139.00421	1.2
139.11316	1.0
140.01138	1.4
143.03548	4.7
146.03705	1.4
149.04538	1.7
151.00371	24.6
151.03969	1.4
152.01015	1.3
152.04729	1.3
155.07135	3.9
159.02942	1.5
161.04550	8.7
161.05965	1.9
163.00356	2.2
164.04802	2.0
165.01959	2.5
167.03500	2.1
169.01447	21.2
178.99855	15.6
179.03494	3.4
179.05630	9.1
179.07054	1.9
183.10260	5.5
192.00595	1.2
193.01402	2.0
197.11868	4.2
211.02412	1.1
225.09235	1.4
225.11288	7.4
227.03555	1.5
243.02907	1.0
261.04092	0.9
271.02405	3.1
281.06693	1.8
287.09262	1.1
299.01984	2.9
313.05640	4.8
313.16638	1.3
317.03030	64.9
318.03464	4.2
331.07123	3.6
331.17648	4.2
433.24509	7.0
493.06494	4.7
493.13239	19.7
493.22778	20.8
494.13297	1.9
494.23630	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86390	1.4
52.51031	1.4
55.01867	3.1
57.03448	10.8
58.00588	4.1
59.01380	100.0
61.98826	2.0
63.02370	2.4
65.00307	7.2
69.03455	13.5
69.23753	9.4
71.01385	50.8
71.05006	3.7
72.99303	5.7
73.02946	12.1
75.00881	2.0
79.23901	1.5
79.84132	1.7
83.01392	10.2
83.05036	2.7
85.02945	21.6
87.00862	5.0
87.04510	2.3
89.02447	47.5
93.03461	3.9
95.01377	5.2
99.00877	3.9
101.02445	34.6
102.72931	1.5
107.01381	11.1
109.02968	10.0
113.02455	26.4
113.03196	2.9
115.04031	2.0
115.92062	4.7
116.92867	2.1
119.03506	18.7
120.99668	3.8
121.02955	5.6
123.00884	3.5
123.04548	2.9
123.08108	1.8
124.01608	1.9
125.02454	24.7
127.07650	4.9
130.12148	1.6
137.02441	11.3
137.06064	3.3
139.00359	2.1
139.04079	2.8
139.11301	28.3
143.03500	4.4
147.06619	5.4
148.04085	1.9
149.04446	2.7
149.06007	2.1
150.03229	3.0
151.00380	35.8
151.04007	2.9
152.01129	2.1
153.01881	1.9
155.07129	2.0
161.02385	2.0
161.04547	17.6
163.00357	6.0
163.03931	1.7
164.01158	8.0
165.01921	10.7
165.05594	4.1
165.07721	19.0
165.09088	2.9
166.05074	3.8
166.82924	1.8
167.03482	4.6
169.01430	14.9
175.03969	1.8
178.02699	1.7
178.99875	19.1
179.04109	1.8
179.05588	13.1
179.07126	9.3
183.04529	2.2
183.10268	82.8
184.10599	2.4
189.07674	5.9
190.99762	3.6
191.03532	4.3
193.01425	4.5
197.11841	8.0
199.03983	1.9
201.05553	2.0
207.97060	1.7
211.04315	2.7
211.06129	5.3
225.11278	5.7
227.03542	4.3
231.08525	1.7
243.03003	7.2
255.03001	4.5
271.02417	8.4
272.02734	2.6
273.04056	14.6
281.06699	2.1
289.03412	1.9
299.01959	31.9
300.02307	2.6
303.08618	2.0
309.11954	19.1
313.05670	6.4
317.03033	79.2
318.03491	6.1
327.12958	22.6
328.13132	3.6
331.08151	2.9
331.11798	2.5
331.17535	2.9
433.24463	18.1
493.06622	3.1
493.13272	23.5
493.23764	8.9
494.13843	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	493.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73302	0.6
57.03455	2.7
59.01385	52.0
61.98841	1.3
71.01385	11.7
71.29253	1.2
73.02946	4.5
83.01396	2.3
85.02963	6.4
87.00890	1.5
87.04507	1.6
89.02458	3.3
93.03472	3.1
95.01406	1.2
96.88446	0.8
96.96037	2.6
99.00893	1.3
101.02451	7.2
103.17493	0.7
105.05584	2.3
107.01398	1.1
108.02188	0.8
109.02979	1.1
111.00890	0.9
113.02455	5.0
119.03548	1.6
121.02992	0.8
122.03767	2.5
123.04541	1.4
125.02460	3.8
133.22057	0.8
135.04523	1.3
137.02478	3.6
137.06081	1.3
137.09784	1.4
138.63425	0.7
139.00368	0.7
139.11307	27.5
140.11668	0.7
151.00346	1.0
151.04036	1.2
151.57736	0.7
152.01160	1.7
153.01862	1.1
155.10802	4.3
156.17648	0.7
161.04588	3.3
167.03525	2.3
168.00703	1.0
169.01396	2.4
169.05093	2.1
181.05096	3.8
181.12352	7.6
183.10284	42.2
184.10591	1.6
194.92574	0.7
199.09750	2.5
207.10225	0.8
214.84843	0.7
225.11305	4.6
243.12396	1.9
255.02747	0.7
267.10840	2.5
273.03122	0.9
281.06799	1.6
300.02747	1.1
302.03259	1.2
311.07867	2.3
315.04965	1.3
317.05829	3.2
331.08301	1.0
433.24722	1.7
449.14594	2.2
475.21945	6.0
479.81342	0.8
493.14868	3.5
493.23004	100.0
494.23428	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	493.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42727	0.5
59.01356	0.9
59.83867	0.6
66.45433	0.5
69.09032	4.4
71.01405	0.7
73.02948	1.1
77.11582	0.6
83.05001	0.6
84.69617	0.5
85.02972	0.7
89.41161	0.7
97.06599	0.9
110.70431	0.7
111.04514	0.9
181.08731	2.9
193.05081	1.8
225.07684	1.1
233.18852	0.6
260.35818	0.6
261.07620	1.3
277.74823	0.8
292.23322	0.7
319.30560	0.6
359.29718	1.0
383.29379	0.8
391.17426	0.8
413.30630	100.0
414.30972	11.1
445.29636	0.7
457.29547	6.1
488.97647	0.6
493.19101	0.9
493.27390	2.3
493.39203	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	493.3457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.16534	7.4
60.74495	7.1
61.98817	11.7
71.20126	8.1
78.95904	58.2
96.96954	10.3
135.73532	6.4
151.80661	7.9
152.99608	100.0
162.76700	8.0
190.15685	7.6
433.51096	7.4
493.21161	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	493.3458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22036	38.1
50.78762	44.3
51.52211	36.8
52.06268	38.4
62.70018	34.2
65.14870	39.9
65.78191	36.3
98.21804	100.0
119.46565	48.1
164.84631	36.1
252.79503	44.8
368.84158	51.5
376.06567	59.0
457.33621	56.9
493.31949	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	493.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
69.08805	100.0
69.09222	35.7
78.95911	44.9
91.59057	12.7
152.99609	32.6
194.20064	16.6
231.92216	17.9
288.95319	16.1
369.14246	16.4
422.45566	17.3
493.30481	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	493.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58129	18.8
69.10796	34.3
69.11202	100.0
70.49722	15.3
98.21841	46.8
99.30771	20.8
203.56198	16.8
244.13139	19.1
337.12088	21.5
357.22101	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.0943
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66337	0.4
55.01881	0.8
57.03442	1.0
57.81865	0.5
59.01386	7.0
61.98833	100.0
63.95161	0.5
65.22731	0.5
69.03478	1.0
71.01391	5.6
71.29152	1.0
73.02966	1.7
79.01881	0.6
81.03484	0.6
83.01421	0.7
85.02979	2.3
89.02450	2.7
93.03456	0.9
95.01382	1.1
95.05059	0.7
96.24452	0.5
97.02951	1.3
99.00897	1.1
99.04532	0.8
101.02430	3.9
105.03543	0.6
107.01411	1.3
108.02225	1.8
109.02972	2.8
113.02458	3.6
119.03557	0.7
121.03002	1.1
122.03757	4.3
123.00893	3.2
123.04542	8.6
124.01678	3.0
125.02484	11.6
126.02805	3.1
137.02478	3.0
137.06123	1.7
139.00395	0.9
139.04044	1.9
139.11320	2.7
140.01248	0.6
143.03517	0.6
149.02522	0.7
149.99609	3.1
151.00079	1.1
152.01147	1.7
161.04588	3.3
164.04778	5.3
165.05107	4.1
167.03528	3.4
168.00650	6.7
168.03915	0.6
169.01402	8.7
170.01823	3.2
177.02011	0.6
179.03555	1.1
179.07153	3.2
180.07558	2.5
181.05090	3.2
183.10254	8.4
183.11597	0.6
190.01230	0.5
227.03575	2.5
228.50548	0.6
229.05154	0.6
255.02977	4.2
256.03601	0.8
284.03281	4.5
285.04028	4.7
313.05710	4.2
314.05914	3.7
388.47281	0.6
431.09897	7.1
435.22583	0.7
453.10571	1.1
493.27130	0.9
494.10504	6.6
494.14410	7.6
494.26984	1.1
495.11853	4.1
495.19193	1.6
495.31781	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3352
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27418	1.1
68.15813	1.1
69.17228	7.9
69.17613	1.9
69.38839	1.1
71.71677	1.1
81.03474	3.3
83.05038	8.7
87.91160	1.1
109.02972	4.5
123.00986	1.3
138.79768	1.2
153.01968	4.8
175.95337	1.2
224.17552	1.2
225.16194	7.5
240.18571	1.3
242.59964	1.4
247.64957	1.2
333.23074	1.9
433.31754	4.4
451.32925	100.0
452.33246	10.3
480.58331	1.5
494.33490	1.7
495.11438	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	495.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16672	1.9
59.01377	2.2
60.25308	1.8
66.01904	2.1
67.61449	1.7
69.56882	6.7
69.57308	3.8
71.01388	4.2
73.76382	1.8
75.41878	1.9
81.03446	2.3
83.01385	2.7
93.03455	2.2
95.01393	3.8
97.02988	2.4
106.40318	1.9
108.02183	41.3
109.02957	26.3
111.00858	3.1
120.99648	3.8
123.00895	10.0
123.04543	4.3
125.02418	10.5
127.00369	3.8
136.98863	3.0
137.02461	2.6
137.06107	2.5
139.00391	16.0
140.01144	9.8
146.16672	2.4
151.00417	4.9
152.01158	51.1
153.01955	14.9
153.05577	19.3
164.98328	4.1
165.02043	2.3
169.01407	14.2
181.05096	8.3
182.02206	5.1
182.99356	13.6
183.02922	4.2
195.06631	3.1
196.16272	2.1
197.04565	44.0
198.01736	3.4
248.31203	1.9
263.72693	2.0
291.51416	2.0
313.05722	2.5
343.97540	2.3
495.11456	100.0
496.11639	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	495.1148
Annotation	tarocin A1
Peak:m/z	Relative Intensity
54.97302	0.7
62.89812	0.8
69.02327	6.5
71.44219	0.8
83.01423	1.7
85.02960	0.9
92.41568	0.9
95.01411	1.8
99.00906	0.8
101.51546	0.9
107.01399	1.0
108.02186	50.9
109.02972	24.2
111.00870	2.4
123.00887	4.1
125.02408	0.9
127.00368	2.8
136.98824	2.6
137.02486	0.8
138.03210	1.7
139.00366	3.1
139.04022	1.6
140.01099	0.9
151.04021	1.1
152.01167	52.8
153.01967	13.9
153.05582	18.2
153.06581	0.5
154.02704	2.5
168.00664	1.4
169.01399	1.0
182.02208	8.7
183.03030	4.4
193.75696	0.7
195.03059	0.9
197.04567	42.3
198.04929	0.8
217.38756	0.7
225.04272	0.9
233.49452	0.7
296.30560	0.8
327.07281	2.3
341.08768	1.9
451.12436	1.7
495.11484	100.0
496.11728	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	495.1165
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	1.4
59.01095	1.4
59.01377	19.7
61.98815	2.3
63.02397	1.9
64.49774	0.8
65.00318	2.8
69.25483	5.4
71.01383	8.3
72.99321	1.3
73.02944	1.5
74.99063	1.8
76.92332	0.8
79.01905	1.1
81.03465	1.6
83.01385	2.3
85.02944	3.0
87.00864	1.7
89.02441	3.2
93.03459	1.9
95.01365	2.7
101.02442	3.9
102.83562	0.8
107.01397	10.8
107.05067	1.0
108.01639	1.2
109.02962	13.0
109.06566	3.4
110.03289	0.9
111.00893	1.7
113.02444	4.3
114.05609	1.9
119.03452	1.7
119.04992	3.7
121.02962	7.1
122.03734	2.1
123.00884	6.3
125.02454	38.3
127.02985	1.0
134.06094	0.9
135.04526	5.7
136.99168	2.3
137.02486	8.8
137.06087	33.3
138.02789	1.9
139.00366	3.8
139.02908	1.1
139.04036	1.1
140.01137	1.7
151.00375	16.3
152.00696	4.1
153.00789	3.7
153.01944	5.5
153.06662	2.6
161.04616	1.5
163.00385	2.9
164.00932	1.1
165.01990	2.0
166.02730	1.4
166.05069	1.6
167.03477	1.1
168.00656	1.3
169.01437	44.6
170.01759	2.0
178.99895	7.4
179.03416	1.1
180.00209	3.9
181.00415	2.3
181.05070	100.0
182.05476	4.6
192.00204	0.9
206.15875	0.8
227.03589	1.1
240.17145	1.0
281.06418	0.9
297.06052	1.8
313.05655	23.5
314.06110	1.0
317.03046	15.9
318.03372	15.3
319.03574	32.2
320.04037	1.6
343.10358	22.7
344.10757	1.4
435.26077	2.5
451.17303	1.5
481.06934	0.9
495.11432	86.5
496.11844	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	495.1151
Annotation	tarocin A1
Peak:m/z	Relative Intensity
59.01374	12.0
59.38273	1.3
65.08392	1.6
69.03467	2.3
69.04160	5.1
69.04580	6.8
71.01386	2.7
74.99126	1.5
79.01885	1.7
88.71918	1.5
93.03439	2.4
101.02448	2.1
103.77527	1.9
107.01380	6.2
108.02215	1.8
109.02971	9.3
109.06615	2.9
111.00848	1.8
114.78637	1.4
119.05045	3.2
121.02995	3.3
123.00893	7.9
125.02458	36.4
126.02819	2.1
135.04532	8.5
136.99150	1.7
137.02477	3.7
137.06079	34.2
138.06343	1.5
139.00403	3.7
140.01187	2.7
151.00357	5.8
151.04030	5.5
153.78520	1.4
166.02718	2.0
167.03502	2.3
168.00734	2.9
169.01448	49.3
181.05077	100.0
182.05417	3.3
211.02444	2.2
265.89874	1.6
271.18558	1.4
310.64819	1.7
313.05679	22.6
317.03043	4.5
318.03400	2.5
319.03601	6.1
343.10272	23.3
495.11481	93.7
496.11777	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	495.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20314	1.1
59.01100	1.3
59.01382	17.8
61.98822	4.4
63.11945	1.1
71.01386	18.2
72.99329	1.4
73.02937	4.2
75.94519	1.3
81.03460	2.5
83.01389	3.9
85.02937	7.7
87.00900	3.0
87.04525	3.4
89.02448	10.9
95.01376	4.4
97.02940	1.9
98.22644	2.5
99.00876	2.2
101.02469	12.8
107.01412	2.8
108.02184	90.7
109.02982	35.1
111.00844	3.1
113.02471	5.3
119.03511	3.5
120.99638	1.9
121.02954	5.5
123.00893	11.3
123.04568	1.6
124.01659	2.3
125.02452	5.4
127.00376	2.9
135.00893	2.2
135.04521	1.5
135.08182	1.7
136.98842	2.1
137.02397	6.7
137.09731	11.4
138.03246	2.4
139.00357	3.5
139.04048	6.9
140.78844	1.2
141.01909	1.4
151.04021	2.6
151.06151	3.5
152.01160	81.0
153.01947	31.6
153.05545	3.1
154.02739	1.3
155.10788	71.5
156.11113	2.5
161.04575	1.8
165.01955	3.5
166.99879	4.0
167.03471	1.6
168.00652	3.1
169.01451	2.1
169.12389	2.8
178.25548	1.3
179.05695	1.7
181.08661	3.4
182.02252	6.3
183.02980	17.1
192.97758	1.6
197.04575	10.7
199.09798	25.4
213.11299	2.1
225.03877	2.3
241.10849	7.9
256.74161	1.4
270.31052	1.3
297.06271	1.5
301.13037	2.1
311.07697	1.5
315.07269	5.0
326.06393	1.6
327.07187	15.0
330.02170	1.8
333.19025	2.2
341.08960	3.6
361.15289	1.6
436.10229	1.6
451.12589	7.9
463.08762	4.6
495.11465	100.0
495.20789	76.5
496.11829	8.1
496.20807	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	495.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75902	1.7
59.01389	10.9
65.00331	1.7
67.01865	2.3
69.39447	1.6
70.55988	2.0
71.01391	12.2
71.28974	1.9
74.08807	1.7
81.02864	1.6
81.03465	3.1
85.02961	4.1
88.11827	1.7
89.02454	4.3
93.03474	1.8
94.38416	1.8
95.01405	5.6
96.95999	2.0
97.02950	3.1
101.02467	8.6
104.70726	1.7
107.01395	8.0
108.02216	10.2
109.02992	10.6
111.00906	4.0
113.02478	3.1
119.03430	2.1
120.99608	2.7
121.02962	6.3
123.00906	19.2
123.04536	100.0
124.04892	1.7
125.02464	25.9
136.98846	3.2
137.02446	8.8
138.03242	24.4
139.00401	8.7
139.04041	1.9
140.01157	4.0
151.00383	9.7
151.04016	4.9
152.01152	13.6
153.01979	11.8
153.05582	94.7
166.99826	6.7
167.03506	20.7
168.00659	6.4
168.04291	32.4
169.01443	21.8
181.01448	6.1
181.05136	3.6
182.02141	8.4
183.03000	7.7
183.06631	36.3
197.04556	24.6
211.02457	7.7
248.66780	1.6
271.04709	4.7
271.98639	2.0
296.05338	3.5
299.98080	4.2
300.98505	2.7
311.04407	2.0
311.07721	38.9
312.08273	2.2
313.05621	4.8
314.00345	3.0
315.00464	4.8
316.00580	4.3
317.01010	6.3
326.06610	4.0
329.12296	2.7
330.02939	5.8
331.03220	3.7
332.03323	5.1
341.08777	72.0
342.09082	5.2
451.32788	2.5
480.12674	2.4
495.15759	71.2
496.15915	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	495.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21144	0.7
52.34262	0.5
57.03446	1.0
57.16307	0.4
57.40601	0.4
59.01378	2.6
61.98826	1.5
66.88245	0.5
67.01900	4.5
68.99810	1.4
69.03423	0.7
69.57767	1.5
71.01385	8.8
73.02953	2.2
79.94804	0.5
81.03460	2.3
83.01380	1.7
85.02957	5.0
87.00883	1.7
89.02425	0.5
91.01916	2.6
93.03490	0.8
95.01402	5.7
96.99307	1.3
97.39586	0.5
98.22491	1.1
99.00909	0.9
101.02448	4.8
107.01398	9.6
108.02180	9.2
109.02969	9.9
110.00113	2.5
111.00900	4.0
112.98875	0.5
113.02438	3.9
121.02969	0.9
122.03812	0.6
122.38274	0.5
123.00909	12.0
123.04530	17.8
124.01654	2.2
124.04905	0.6
125.02462	7.9
135.00996	0.6
135.04538	1.0
136.01659	1.1
137.02473	1.0
137.99632	2.7
138.03198	1.5
139.00427	2.3
147.04509	1.0
149.02434	0.9
150.03256	0.7
150.99188	1.2
151.00388	17.0
151.04047	2.1
152.01176	17.9
152.02405	1.0
153.01952	79.8
154.02509	2.2
161.02432	0.8
161.04579	0.8
161.05991	0.6
162.03250	0.9
163.04013	0.9
164.04698	0.5
166.02724	4.4
167.03510	55.0
168.04292	69.3
169.01387	1.1
169.04832	2.4
177.01973	2.4
179.03503	0.9
181.05081	2.0
183.06630	19.1
183.08296	1.0
189.01933	4.5
190.02716	1.8
191.03473	1.9
193.05048	0.5
195.03017	1.3
197.04460	0.6
205.05099	1.1
209.04619	0.8
216.00734	0.9
217.01401	3.6
219.02966	1.3
221.04588	0.7
231.03041	1.0
245.53383	0.5
251.05656	1.2
289.07135	0.6
296.05389	4.7
311.07745	100.0
312.08105	5.0
341.06644	9.5
342.06952	1.0
371.07495	0.8
410.23590	0.5
451.15918	0.8
452.16248	0.7
480.12958	2.6
495.15161	56.7
496.15616	4.3
504.29230	0.7
514.20630	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.8
59.01386	7.5
61.98827	7.0
63.93218	0.9
69.03480	1.4
71.01380	8.0
71.41365	1.1
73.02933	2.6
81.03465	1.5
83.01413	1.8
85.02949	8.4
89.02463	2.3
93.03468	2.1
93.51742	1.0
95.01372	3.9
101.02470	5.7
108.02180	95.6
109.02972	65.5
110.03349	1.8
113.02489	2.6
120.99639	1.6
121.02961	1.6
123.00882	4.5
123.04533	6.7
125.02424	2.7
125.35152	1.1
130.76100	1.0
133.02936	1.2
134.03758	2.3
137.02444	2.4
137.24785	1.2
151.04041	2.5
152.01160	88.3
153.01959	31.3
153.05547	2.5
153.09241	6.0
154.02202	1.5
158.76004	1.2
161.04573	1.4
163.04030	1.6
165.01953	2.0
167.03494	3.8
169.01370	1.7
181.05112	3.2
193.05078	8.6
193.08710	3.7
235.99303	1.1
241.58376	1.1
289.16586	2.1
306.18048	1.2
315.07358	5.0
333.13220	1.5
341.06769	2.1
344.95203	1.3
435.22079	2.6
451.16061	38.5
452.16467	3.5
486.20013	1.2
495.15097	100.0
495.21860	3.8
496.15405	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	495.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08922	0.9
57.03441	1.3
59.01381	7.5
61.98837	7.9
64.45859	0.9
65.65270	1.0
68.56808	1.0
71.01376	12.1
71.29889	1.0
72.99311	2.4
73.02960	4.6
76.27267	1.1
81.03473	2.1
83.01431	1.2
85.02955	9.1
89.02454	2.6
93.03492	1.1
95.01390	3.5
97.02988	1.0
101.02453	6.2
108.02180	100.0
109.02966	71.6
110.03295	2.0
113.02453	4.6
113.98638	1.1
118.40185	0.9
119.03493	1.2
121.02961	1.7
122.03761	2.0
123.00930	4.6
123.04531	6.4
125.02472	5.0
133.02974	1.4
135.00829	1.2
135.04552	1.7
135.08214	1.2
137.02470	1.5
139.04005	1.3
149.99590	1.4
151.04037	2.7
152.01160	93.4
153.01958	29.8
153.09229	5.5
161.04556	3.6
161.05966	1.9
163.04042	1.1
165.01926	2.2
167.03476	1.9
168.00644	1.9
169.01224	0.9
179.03561	1.3
179.05611	1.0
181.05193	1.6
183.10281	3.1
193.01495	1.6
211.02521	1.1
223.02487	2.8
223.06087	2.2
253.07327	1.2
271.04492	1.5
271.09622	1.7
289.16702	4.0
296.67795	0.8
302.80426	0.9
315.03900	1.5
315.07156	8.8
397.29550	0.9
435.22281	5.4
451.16068	38.1
452.16226	3.1
477.14136	3.4
495.15213	86.9
496.15570	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	495.1508
Annotation	Tetracentronside A
Peak:m/z	Relative Intensity
55.04357	1.0
57.03450	1.3
59.01384	23.4
60.18571	1.1
61.98842	2.5
65.00334	1.4
65.60560	1.1
66.23866	1.0
67.01876	1.3
69.03425	2.2
69.15191	6.8
69.15599	2.1
71.01382	17.2
73.02943	1.8
78.91883	4.0
81.03496	1.2
83.01376	1.8
85.02942	3.5
85.95046	1.1
87.00905	2.0
87.04519	1.1
89.02444	12.0
93.03453	1.3
95.01406	2.5
96.96017	1.1
97.02992	1.4
101.02454	10.2
107.01396	9.6
108.02186	2.9
109.02989	6.8
111.00887	5.6
113.02466	7.1
113.37117	1.1
119.03527	4.3
120.99637	1.2
122.03761	4.1
123.00899	13.1
123.04538	5.0
124.01686	3.1
125.02450	38.1
125.03349	2.2
135.04541	1.8
137.02461	3.2
137.06067	1.9
139.00427	6.2
139.04066	1.5
140.01155	2.7
148.05307	3.5
149.02385	1.5
151.00383	10.3
151.04065	2.1
152.01152	4.1
153.01971	4.7
153.05565	1.8
161.04619	3.0
163.07632	1.9
165.01955	1.7
165.05579	1.9
166.06413	1.5
167.03532	3.7
167.07227	1.1
168.00638	5.2
169.01428	52.7
170.01711	1.7
177.01976	1.3
179.03593	1.3
179.05568	1.8
179.07130	2.2
181.05164	2.1
181.08713	48.5
183.03026	1.8
183.06665	4.9
183.10277	3.6
185.11848	1.2
188.07239	1.2
195.02983	1.4
199.06413	1.7
211.02475	3.1
213.07883	1.6
215.32060	1.1
216.06599	1.5
246.11342	1.7
255.05278	1.5
271.04630	3.4
272.09262	19.6
272.11902	1.7
311.07776	3.3
313.05652	21.1
317.03055	4.7
332.05453	2.1
341.06754	2.2
402.05399	1.1
435.26016	3.5
495.15170	100.0
496.15509	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	495.151
Annotation	Tetracentronside A
Peak:m/z	Relative Intensity
59.01376	1.9
61.98857	1.6
67.01897	2.2
67.72059	1.1
67.74005	1.0
69.03476	1.4
69.15173	1.1
71.01385	3.5
71.29240	1.4
72.99304	1.6
79.01907	1.6
83.01411	1.9
83.66361	1.1
85.02979	1.8
95.01431	4.6
97.03034	1.3
100.63144	1.3
101.02489	1.9
107.01401	9.6
108.02243	3.3
109.02995	3.8
111.00924	3.4
120.99693	1.8
121.03003	5.1
123.00890	15.6
123.01646	1.4
123.04564	5.1
124.01722	4.1
125.02454	51.6
125.30604	1.1
126.02832	1.2
135.04584	3.0
136.99055	1.9
137.02477	3.3
137.06108	1.6
138.03214	1.5
139.00397	7.2
139.04092	3.3
140.01212	4.4
140.20551	1.3
141.01974	1.8
151.00380	8.7
151.04015	6.8
152.01199	3.8
153.02007	3.4
162.92708	1.2
165.02011	2.9
166.06363	19.4
166.07649	1.2
167.03586	4.3
167.07056	1.3
168.00729	4.4
169.01443	60.4
170.01854	2.1
174.19159	1.1
177.01866	1.2
181.05122	6.6
181.08743	5.7
183.03120	3.6
185.37701	1.1
195.06757	1.6
208.79729	1.1
211.02489	1.7
236.90675	1.3
297.06323	1.9
311.07895	1.2
313.05692	14.8
313.08765	1.3
327.07446	3.4
333.14078	1.1
362.80252	1.4
495.15448	100.0
496.15652	11.8
513.07990	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97904	0.9
57.03452	1.0
58.00570	1.3
59.01382	34.1
61.98829	12.7
71.01386	22.9
72.99297	3.0
73.02945	3.0
75.00854	1.1
83.01391	2.0
85.02962	6.6
87.00883	2.7
89.02450	21.3
90.16140	1.1
93.03442	2.4
95.01414	2.0
99.00953	2.1
101.02438	12.5
107.01449	1.9
108.02161	2.8
109.03007	5.5
111.00904	1.2
113.02463	8.3
115.39536	0.9
119.03510	9.9
120.99623	1.7
121.02989	5.8
123.00913	7.1
123.04514	8.4
124.01618	1.4
125.02460	10.2
127.69834	1.1
135.04549	17.2
136.01634	3.6
137.02432	4.6
138.03212	2.6
139.00398	2.1
140.01129	1.5
140.24022	1.2
143.03528	1.6
149.02451	41.5
151.00362	3.9
151.03996	5.6
152.01144	3.7
153.01974	7.5
153.05583	6.3
155.10783	1.8
161.02486	2.0
161.04501	2.1
163.03944	1.5
163.07690	1.8
164.04803	100.0
165.01938	1.2
165.05278	3.7
167.03473	2.2
168.00632	3.6
168.04291	2.7
169.01447	9.1
179.05656	5.2
179.07130	64.2
180.07471	2.6
181.05092	1.5
183.03027	1.6
183.06607	3.4
183.10356	1.8
184.10539	1.2
195.06458	1.2
199.65819	1.1
211.02339	1.5
214.96544	1.0
270.05222	1.4
271.04523	2.3
285.07867	1.4
300.10138	1.7
311.07776	2.3
315.12363	3.2
333.09964	1.6
333.13425	4.9
337.75766	1.2
341.08759	2.8
431.05527	1.1
434.44870	1.2
477.17786	3.2
495.13736	22.1
495.19897	11.8
496.15063	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	495.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00594	0.7
59.01382	35.4
60.01719	0.7
61.98838	5.0
69.00643	6.2
71.01389	20.5
72.99308	1.9
73.02943	1.3
83.01409	1.3
85.02962	4.4
87.00876	2.0
89.02450	22.6
89.48654	0.7
95.01395	1.9
98.22592	1.0
101.02457	11.8
107.01398	0.8
108.02170	0.9
109.02997	2.7
111.00870	0.9
113.02470	8.3
119.03516	11.1
120.99654	0.7
121.02985	4.0
123.00862	1.4
123.04595	0.9
124.01707	1.2
125.02446	2.4
131.03511	1.1
131.84955	0.7
135.04530	16.5
137.02448	2.9
139.03990	1.1
143.03485	2.4
143.12175	0.7
148.05403	0.8
149.02454	44.2
149.04417	1.6
150.02936	1.6
151.00354	2.2
151.04076	1.2
152.01151	1.6
153.01929	2.5
154.49474	0.7
161.02434	0.7
161.04593	3.6
163.04002	1.0
164.04803	100.0
165.03915	0.8
165.05101	3.8
167.03564	0.8
169.01465	1.8
175.00340	0.8
179.05644	7.4
179.07133	73.4
180.07553	1.7
183.10283	0.9
190.02740	2.2
273.20874	0.9
285.20758	0.7
300.02951	1.3
301.03723	1.0
315.12424	1.8
317.03091	1.0
333.09729	1.3
341.06482	0.7
354.25394	0.8
433.07932	1.1
435.26031	4.5
477.17639	2.8
495.13358	4.7
495.19284	3.5
495.29990	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20589	1.0
57.03458	1.1
58.00596	3.2
59.01385	100.0
61.98822	2.6
67.30765	0.9
71.01388	60.2
72.99303	3.3
83.01385	2.3
85.02955	9.6
86.41019	1.1
87.00887	4.5
89.02454	84.3
93.03479	5.7
95.01395	3.8
99.00903	1.3
101.02451	32.5
101.03120	1.9
108.02175	2.5
108.05507	1.1
109.02966	2.5
113.02459	24.4
117.96867	1.1
119.03516	39.5
121.02975	34.2
122.03802	2.6
123.00910	2.5
123.04554	6.8
124.45612	1.0
125.02439	2.8
131.03517	3.3
136.01688	1.9
137.02464	27.0
138.03226	2.4
139.04047	6.0
143.03505	7.8
149.02463	1.7
149.04543	3.2
151.04021	1.7
158.67818	1.2
161.02480	1.4
161.04556	9.5
164.04947	1.3
165.01932	3.4
165.05493	1.1
166.02655	1.8
169.01437	1.8
177.01939	4.3
177.44113	1.3
179.05629	40.5
179.07222	2.4
181.04985	1.4
189.01918	6.6
190.02701	2.9
191.03554	2.3
216.00598	1.5
217.01418	5.9
219.03038	2.5
231.03098	1.5
264.52789	1.3
271.10883	4.1
286.04947	1.3
300.08356	1.9
301.07217	7.3
313.05719	1.4
315.12393	2.7
333.09805	7.9
341.06671	11.5
388.98840	1.0
400.93747	1.2
495.19412	36.7
496.18912	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	495.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18008	1.0
57.03447	8.6
59.01389	7.4
68.99828	1.2
69.03463	10.4
71.01390	30.0
71.05017	5.0
71.29869	2.0
73.02952	8.8
76.17831	1.0
79.01930	1.3
81.03459	2.3
83.01399	7.0
83.05009	1.6
85.02953	17.2
89.02448	2.4
93.03461	4.7
95.01408	3.0
95.05041	3.2
97.02943	2.4
99.00898	4.5
99.04520	3.0
101.02446	19.1
107.01402	5.1
108.02186	15.0
109.02966	17.3
109.06593	1.2
111.00867	1.6
111.08163	1.6
113.02472	14.2
113.06098	2.1
117.52438	1.2
121.03035	2.8
121.25053	1.0
122.03752	51.7
123.00883	4.6
123.04537	81.1
124.04839	2.4
125.02466	30.3
126.02756	2.1
127.04035	1.2
137.02449	16.1
137.06096	15.8
139.00418	1.3
139.04030	17.3
139.05042	1.9
139.11305	35.4
140.01102	2.6
143.03481	2.5
151.00351	3.9
152.01237	1.6
153.01915	1.1
159.02994	2.5
161.04576	22.4
163.03931	1.3
164.04822	3.4
165.05334	2.0
167.03464	1.4
168.00648	3.0
169.01431	46.8
170.01773	2.0
179.07184	3.0
180.07491	1.8
181.05083	46.5
183.10268	100.0
184.10580	3.5
205.04980	1.7
211.02455	3.0
213.05074	1.1
214.80353	1.1
217.50591	1.0
218.13515	1.1
225.11328	1.2
242.64037	1.1
267.08621	1.4
271.04633	3.0
285.09698	2.4
313.05701	29.5
314.06042	2.0
453.10364	16.1
454.10849	2.3
495.11539	57.5
495.18756	18.2
495.31073	1.6
496.12088	6.4
496.18619	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40691	0.3
57.03439	1.0
58.17653	0.3
59.01389	2.0
61.98821	0.7
65.00336	0.4
67.01871	0.4
68.35173	0.3
69.03487	0.3
69.06284	2.3
71.01378	1.4
73.02941	0.4
73.69900	0.2
78.95915	0.6
81.03464	5.5
83.01379	2.9
85.02972	0.9
89.02480	0.6
93.03447	1.4
95.05038	0.8
97.02982	0.4
101.02465	0.7
107.01398	0.4
108.02162	0.4
109.03006	0.5
111.04530	0.3
113.02428	0.5
118.40063	0.3
119.44992	0.3
121.02962	0.8
122.03734	0.3
123.04535	34.4
124.04868	0.8
125.02454	5.2
125.03345	0.4
131.01398	0.5
135.04541	0.7
137.02461	2.8
137.05946	0.4
139.04047	0.7
149.02473	1.4
149.06139	0.4
150.06891	0.5
151.00400	1.6
151.04022	1.0
152.99574	0.6
163.04010	1.5
164.04782	0.6
165.01965	0.4
166.02666	0.5
167.03503	100.0
168.03850	3.4
175.00406	1.4
179.03558	0.9
179.07262	0.4
179.11029	0.4
181.05092	2.8
191.03511	25.7
192.03897	0.9
193.05035	0.5
195.06573	0.3
205.05118	0.3
209.04558	9.0
221.04550	1.6
233.04614	0.6
233.08331	0.4
245.08202	0.6
259.09772	0.7
271.09766	0.3
273.38055	0.3
303.15970	0.9
311.07715	0.4
313.25381	0.5
317.19717	0.5
331.15479	3.7
332.15842	0.3
343.15579	0.5
361.16614	1.0
375.14340	2.5
377.27151	0.5
405.15607	0.6
433.29321	0.6
451.30695	0.8
495.18713	16.1
495.37018	0.7
496.19125	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.224
Annotation	Glaucarubin
Peak:m/z	Relative Intensity
54.53856	0.9
56.60494	0.9
57.03452	2.5
59.01384	100.0
60.97852	0.9
65.08184	0.9
71.01388	7.6
73.02953	4.7
83.01396	1.8
83.05021	1.2
85.02959	4.0
90.73972	1.0
99.00890	1.2
101.02438	6.5
113.02460	3.6
125.02457	1.2
137.02373	1.2
137.09767	1.0
139.11310	20.8
140.11667	1.3
148.57156	1.0
150.68428	0.9
161.04564	3.6
163.11388	1.3
165.09164	1.2
181.12341	12.4
183.10278	28.9
184.10561	1.4
198.64584	1.0
199.13373	1.1
199.32434	0.9
225.11356	4.5
226.95444	1.1
243.12411	2.4
269.10281	1.6
290.39310	1.0
435.61569	1.0
477.21310	10.2
495.22388	93.0
496.22784	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	495.245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.4
57.03441	3.2
58.00576	2.0
59.01381	83.1
59.11838	1.1
69.13805	7.3
69.14208	2.4
71.01382	47.8
73.02950	25.9
83.01398	19.6
85.02956	28.4
87.00861	3.1
89.02456	10.0
95.01385	2.5
97.02963	1.9
99.00868	9.6
101.02448	52.6
103.04013	2.4
108.02143	1.4
109.02945	5.3
113.02462	20.4
119.03493	1.8
120.40990	1.4
122.03725	4.5
123.04537	11.9
125.02436	4.5
137.02431	2.9
143.03520	2.6
146.30725	1.5
152.01152	2.2
153.01862	1.8
159.03000	5.0
160.25064	1.6
161.04570	19.7
169.01030	1.4
177.01910	1.9
183.10255	6.8
189.01956	3.2
190.90430	1.5
216.00557	1.4
217.01428	3.1
223.77760	1.5
231.02847	1.3
289.16595	96.4
290.16980	7.5
309.74692	1.4
333.15707	1.4
341.06604	9.5
435.22382	100.0
436.22592	7.8
438.65741	1.4
495.11008	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	495.245
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02227	1.0
57.03447	5.7
58.00602	2.1
58.15828	1.0
59.01098	2.0
59.01387	38.4
61.98838	5.2
61.99097	1.0
64.99387	0.9
67.01900	0.9
68.33999	1.0
69.03431	1.2
69.41904	6.3
71.01387	46.6
71.05013	5.2
72.99321	1.9
73.02953	15.2
74.99088	2.9
75.00881	1.5
83.01385	9.8
85.02956	23.5
86.00127	1.3
87.00884	4.0
87.04526	2.0
88.35102	1.0
89.02454	12.4
93.03455	2.5
95.01388	5.0
97.02966	3.6
98.81171	1.2
99.00919	5.4
99.01459	1.4
99.04520	2.5
101.02450	37.7
107.01398	2.9
108.02197	3.4
109.02959	3.9
111.00893	8.1
113.02472	17.5
119.03514	5.4
120.99699	1.4
121.02927	1.4
123.00923	6.9
123.04489	2.2
124.01673	2.0
125.02462	12.3
135.04536	1.7
136.05258	2.0
136.99112	3.2
137.02452	8.9
138.03200	1.9
139.00345	1.6
139.04033	23.0
141.01978	1.1
143.03500	1.7
150.03188	1.5
151.00391	3.4
151.04013	1.3
152.01141	3.0
153.02003	5.5
159.03035	2.9
161.04587	8.3
163.00465	1.4
163.03941	1.2
164.04927	1.1
165.01942	2.9
165.05545	2.4
167.03502	5.3
168.00681	1.9
169.01448	11.5
179.05588	1.1
180.04330	6.5
181.08705	1.8
183.02946	1.0
185.11850	3.3
195.06612	4.3
199.13338	2.1
209.26106	1.0
227.12872	2.0
279.85361	1.0
281.06671	8.9
282.07080	1.4
289.10538	2.6
297.06085	1.6
311.07803	3.3
313.05731	3.1
333.19174	14.8
370.17136	1.1
441.08456	1.3
447.13229	1.5
451.12317	2.0
495.14944	19.5
495.24429	100.0
496.15491	2.3
496.24829	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	495.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18599	43.1
53.12516	41.9
69.90701	100.0
69.91066	92.6
90.10020	45.7
91.87302	41.5
106.55663	44.2
122.09321	42.2
366.03503	56.2
495.31995	53.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3481
Annotation	Oncostemonol G
Peak:m/z	Relative Intensity
59.01384	33.2
60.06676	0.2
98.22616	0.4
120.36480	0.3
130.56693	0.2
138.19440	0.2
167.64514	0.2
180.29846	0.2
192.96103	0.2
405.31735	0.3
433.31161	0.6
435.32840	0.4
449.34262	9.2
450.34531	1.0
465.30170	1.3
479.31540	0.3
481.33722	1.5
495.34845	100.0
496.35208	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	495.3618
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37736	52.7
60.16232	50.1
66.03705	49.0
103.52282	52.0
108.39965	49.2
122.63824	46.9
132.56186	45.4
258.87546	49.4
259.05978	100.0
372.75708	54.3
392.79092	50.4
459.22644	53.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.0737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12888	2.6
54.16262	3.1
54.55867	3.2
58.31504	2.7
59.01383	42.2
60.15618	2.9
61.98836	100.0
69.38248	18.7
71.01382	29.3
72.99307	3.8
79.63240	3.0
85.02946	7.4
87.00871	3.1
88.91268	3.0
89.02457	25.0
93.03487	3.4
95.01403	4.4
101.02454	20.3
107.05042	3.3
108.02184	8.0
109.02998	6.9
113.02432	11.1
119.03506	13.0
120.03916	3.2
120.99662	4.9
121.02940	6.5
123.00909	5.4
123.04516	8.6
124.01643	4.0
125.02454	15.2
135.04543	12.3
137.02464	7.1
139.00374	5.6
143.03444	3.7
149.02425	23.1
150.02820	7.3
151.00389	7.8
152.01135	4.6
153.01938	5.6
153.05598	9.5
154.05888	3.5
161.04498	5.3
164.04813	52.9
165.05121	20.7
168.00560	3.3
169.01451	13.1
179.05711	7.1
179.07132	34.6
180.06113	3.4
180.07474	22.2
182.99400	3.1
243.02916	5.1
255.03041	14.0
271.02451	32.6
272.02582	3.0
300.02777	65.2
301.03510	15.1
316.99548	3.7
334.13849	5.1
350.50021	4.0
424.40591	3.0
433.07764	64.1
434.08047	9.1
435.25980	5.8
436.26401	4.2
479.16147	3.4
497.16751	30.7
497.26129	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	496.24
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77250	2.7
57.03438	3.3
58.45839	3.2
59.01384	33.1
61.98834	16.9
69.28532	19.3
70.23430	3.0
71.01386	32.2
71.91109	2.9
72.99327	4.7
73.02957	17.1
83.01395	9.9
85.02959	16.8
89.02443	10.7
95.01401	4.9
101.02430	31.9
108.02178	8.0
109.02962	9.9
113.02460	17.4
119.03498	4.9
120.99633	3.0
123.00899	4.8
125.02448	22.5
137.02490	5.8
137.06105	3.7
147.80222	2.9
149.02403	4.9
150.03233	3.8
152.01102	5.2
153.01936	7.4
154.02568	3.6
159.03015	3.2
161.02428	5.7
161.04559	13.8
165.05540	3.2
168.00606	3.8
168.04250	3.3
169.01405	24.3
170.01741	4.5
179.03650	4.2
181.05118	16.1
182.05415	14.1
223.83345	3.5
239.00482	3.1
307.17636	52.1
313.05502	6.1
314.06161	3.3
453.23425	100.0
454.23657	6.2
496.12167	25.7
496.21432	3.3
497.12799	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	497.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11665	0.2
59.01358	0.9
61.19304	0.2
61.98836	9.4
73.02936	0.3
80.96483	0.5
85.02950	0.4
87.00869	0.3
89.02439	0.6
93.03446	0.7
97.02960	0.2
99.00821	0.2
101.02437	0.7
107.01389	0.4
107.05043	0.2
108.02181	0.8
109.02950	0.7
113.02458	0.3
119.68937	0.2
122.03743	1.9
123.00879	0.3
123.04542	1.0
124.01687	0.3
125.02479	1.5
132.02165	0.5
133.02972	0.3
135.04518	0.2
137.02464	0.7
139.00398	0.4
149.02483	0.2
151.00395	1.4
151.03911	0.3
152.01126	0.8
153.01878	0.3
161.04587	0.5
167.03491	0.8
168.00648	0.3
169.01437	1.1
183.10236	0.3
185.11845	1.8
199.04140	0.2
211.02409	0.5
227.03468	0.3
255.03136	0.5
256.03775	21.6
257.04047	1.2
269.04544	0.4
271.04565	0.6
273.07819	1.0
274.16211	0.2
283.02499	0.3
284.03271	97.5
285.03787	9.6
297.04105	0.5
299.05615	100.0
300.05951	6.9
461.10831	9.8
461.17313	0.5
462.11124	1.3
497.16974	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	497.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90402	1.0
59.01382	3.8
59.84576	1.0
61.98812	1.2
65.00318	1.6
67.01894	1.8
69.00632	2.6
69.01035	6.9
71.01382	5.7
72.99317	1.2
74.99112	4.6
79.01910	2.3
81.03472	1.2
83.01389	2.3
83.81998	1.0
85.02962	2.3
87.00891	1.5
89.02475	1.6
95.01373	2.4
96.96021	2.2
97.02955	2.6
98.22521	2.8
98.95795	1.0
101.02466	3.2
107.01402	11.0
107.30138	1.2
108.02242	1.6
111.00909	3.1
113.02457	1.8
120.99649	2.1
121.03027	1.5
123.00890	19.5
123.04556	1.4
124.01717	8.1
125.02457	93.8
126.02758	1.6
127.00418	1.7
136.99037	4.2
137.02454	4.0
138.03247	22.0
139.00378	9.8
139.04030	9.6
139.07689	1.2
140.01189	5.2
141.01961	1.9
145.02917	1.4
147.04536	4.6
149.02483	3.4
151.00400	10.7
151.04016	2.2
152.01221	1.4
153.01962	3.4
153.05571	9.2
154.02748	1.2
161.02502	1.7
164.04881	1.4
165.01962	4.6
166.99857	9.8
167.03525	2.2
168.00653	19.3
168.04292	33.1
169.01440	100.0
169.05092	4.6
170.01888	2.5
175.04042	3.4
177.02016	2.6
179.03548	3.1
181.01401	2.6
182.02228	5.8
183.03047	17.0
183.06631	44.2
184.06985	1.6
190.02789	1.4
191.03499	6.7
193.01472	3.6
201.01776	1.4
210.01759	4.8
211.02499	14.7
217.01308	1.8
219.03000	3.0
225.04034	6.4
229.01384	1.7
241.03406	1.7
245.00841	2.3
249.04005	1.1
253.03522	1.7
271.04584	5.7
273.00372	6.5
275.02072	2.7
275.05157	1.2
281.18030	1.2
285.06216	1.9
297.06201	1.1
301.00055	2.9
313.02109	2.0
313.05704	36.0
314.05911	2.1
316.99350	1.4
319.32126	1.1
321.03705	1.1
327.07245	3.8
331.06720	2.8
345.08261	1.6
345.12048	2.8
375.03656	1.3
415.12115	1.6
425.07181	2.6
437.07306	17.8
453.10477	8.4
496.65359	1.2
497.12799	71.1
498.13297	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	497.0946
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	1.1
61.63991	0.4
64.69760	0.4
67.01881	0.6
69.03444	0.5
69.11890	3.1
71.01376	2.1
79.69377	0.5
80.68744	0.4
83.01381	0.9
85.02981	0.5
86.59336	0.5
95.01425	0.8
96.96037	0.9
97.02987	1.0
101.02450	0.7
107.01418	5.3
108.86835	0.4
109.02971	0.7
110.00117	0.5
111.00900	2.4
113.02445	0.7
120.99667	1.4
121.02971	0.8
121.49541	0.5
123.00882	5.9
124.01654	2.4
125.02457	20.3
126.02785	1.6
127.00387	0.6
127.02962	0.5
136.98849	1.8
137.02457	1.3
139.00389	4.5
139.03992	1.4
140.01173	3.5
149.02441	0.8
150.03235	0.7
151.00348	2.5
151.04042	0.5
153.01949	4.6
154.02710	0.8
161.02446	0.5
164.04889	0.5
165.05624	0.7
166.99890	2.8
168.00658	8.1
168.04294	3.6
169.01434	25.5
170.01810	1.5
171.01971	1.1
179.03514	1.2
181.01398	0.6
182.02217	7.1
183.02994	100.0
183.06529	1.9
184.03323	2.4
194.99333	0.6
195.03156	0.5
195.15613	0.4
210.01691	2.0
211.02544	1.7
225.04094	2.6
241.03380	0.6
285.06085	0.9
313.05670	8.8
327.07370	1.4
345.08276	46.5
346.05194	0.5
346.08643	2.9
361.11069	0.7
453.12686	0.7
465.06552	2.3
497.09500	15.9
497.13354	10.7
498.09885	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1302
Annotation	Sodium methotrexate
Peak:m/z	Relative Intensity
53.81402	0.5
59.01375	0.5
67.01894	1.7
69.03441	0.8
69.81974	2.0
71.01402	2.9
79.01894	1.3
83.01396	1.1
85.02946	1.4
87.00895	0.6
95.01409	2.2
101.02448	1.0
107.01394	9.0
107.81142	0.5
110.00118	0.8
111.00879	3.7
113.02451	1.0
123.00903	12.0
124.01675	2.3
125.02459	32.8
126.02806	0.8
127.00408	1.5
128.40028	0.5
136.98793	2.0
139.00389	7.4
139.04015	1.2
140.01198	5.1
141.01959	1.3
151.00377	5.6
153.01950	19.6
154.02658	1.5
155.03526	1.2
168.00644	4.8
168.04300	10.7
169.01445	29.9
170.01814	0.7
182.02216	0.7
183.02998	4.5
183.06667	1.9
189.27902	0.5
191.16653	0.5
211.02441	0.7
223.02319	0.5
297.06119	1.2
313.05658	11.9
327.07251	4.9
338.50964	0.7
482.10745	0.8
497.13065	100.0
498.13400	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	497.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06968	1.0
59.01368	2.1
67.01890	1.3
69.03460	2.1
69.15980	6.2
69.16382	1.8
71.01376	4.5
79.01910	1.5
81.03483	1.0
83.01371	1.2
85.02962	1.2
90.97421	1.2
95.01375	2.4
97.02945	1.6
98.21803	2.3
101.02446	1.7
107.01395	12.0
109.02974	1.6
111.00855	3.1
120.99654	1.2
123.00887	12.5
125.02459	56.3
134.12291	1.0
136.98886	1.6
137.02519	1.0
139.00398	6.4
139.03998	2.4
140.01172	3.7
141.01923	1.1
150.03233	2.7
151.00360	7.7
151.03978	2.1
153.01941	17.5
165.05547	1.3
168.00673	3.6
168.04276	18.1
169.01436	61.9
170.01782	1.6
181.05148	2.1
183.03030	7.4
183.06697	8.8
211.02466	2.1
219.77747	1.2
239.30270	1.0
271.04495	1.9
313.05719	24.5
314.06161	2.0
327.07248	4.1
361.11096	1.5
377.13644	1.1
386.78934	1.2
389.90631	1.0
479.11987	2.1
497.13046	100.0
498.13354	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	497.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.5
65.00314	0.9
67.01894	1.0
69.03455	1.4
71.01387	3.8
73.02959	0.8
75.94298	0.6
79.01906	1.2
83.01408	0.8
85.02956	1.4
87.00911	0.9
95.01398	1.7
97.02969	1.4
101.02493	1.4
107.01395	9.4
109.02995	1.5
111.00906	2.4
113.02485	1.0
121.02952	0.8
123.00896	11.4
124.01691	3.2
125.02457	54.9
126.02772	1.3
127.00368	1.1
132.26385	0.6
136.99039	0.9
137.02472	2.8
138.03238	32.1
138.27220	0.6
139.00377	4.4
139.04028	5.1
140.01176	4.4
141.01964	1.6
147.04543	2.7
149.02408	0.9
151.00380	6.1
151.04018	1.4
152.01144	0.7
153.01968	2.7
153.05595	13.5
165.01985	1.1
166.99861	1.2
167.03522	0.7
168.00685	5.8
168.02151	0.7
168.04295	45.3
169.01439	69.9
169.04922	3.9
170.02042	2.7
173.02466	1.6
175.04033	1.9
177.02000	0.8
179.03557	1.2
183.03169	4.3
183.06631	64.1
184.06992	1.5
184.63216	0.6
191.03516	4.1
193.01387	1.0
201.02032	1.1
210.01799	0.7
211.02495	2.6
217.01479	0.8
219.02969	3.6
223.02597	0.7
225.03970	0.9
229.01421	1.0
241.03474	1.5
245.00893	1.3
253.03476	0.9
261.04138	0.9
263.02158	1.1
271.04657	0.9
273.00464	6.3
290.46237	0.6
305.03107	1.5
313.05673	39.2
314.06076	1.5
316.99423	2.2
327.07239	1.8
331.10309	0.9
335.07904	1.1
336.39282	0.7
345.12112	3.5
365.05228	0.7
425.06967	1.4
437.07404	1.2
453.10773	1.8
497.13138	100.0
498.13577	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	497.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92625	0.5
55.01876	0.5
59.01388	0.7
59.31569	0.5
61.15521	0.5
67.01888	0.9
67.44194	0.7
69.03455	1.5
69.35126	1.1
69.35525	2.6
70.97507	0.4
71.01389	3.9
72.99303	1.0
79.01900	1.5
83.01396	0.8
85.02942	1.5
87.00896	0.9
87.40037	0.5
95.01400	1.2
97.02978	1.5
98.21801	0.9
101.02439	1.6
107.01394	11.1
108.46947	0.5
111.00881	2.9
113.02432	1.0
121.02971	0.7
122.03732	1.2
123.00886	8.2
123.04535	1.5
124.01694	2.3
125.02458	65.7
126.02798	1.5
127.00368	1.4
135.04497	0.5
136.98816	2.1
137.02481	0.8
139.00380	4.4
139.04007	1.1
140.01180	4.8
141.01938	1.2
150.03239	1.2
151.00381	6.1
151.03955	0.7
153.01941	4.5
153.05589	1.6
154.02681	1.3
161.02448	0.6
165.05682	0.6
168.00648	6.2
168.04283	7.1
169.01436	74.9
169.05060	4.6
170.01767	2.0
183.02980	3.0
183.06630	9.6
211.02463	1.8
223.02495	0.7
240.27196	0.6
241.03632	1.4
297.06174	2.3
313.05658	22.6
314.05936	1.0
327.07254	3.6
370.78662	0.7
497.13062	100.0
498.13367	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	497.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	45.5
61.98827	8.5
66.23410	2.6
69.93766	2.4
71.01385	43.6
71.81431	2.3
72.99300	7.7
73.02955	9.7
74.99090	4.2
83.01405	4.7
85.02961	10.7
87.00868	5.9
89.02446	29.2
93.03474	11.4
95.01395	3.4
96.96001	3.2
97.42364	2.7
99.00884	3.7
101.02443	27.7
103.04034	3.9
107.01408	6.0
111.00915	5.8
111.04512	6.1
112.63795	3.2
113.02493	15.3
119.03547	15.3
119.05024	9.0
123.00877	4.9
125.02461	32.1
135.04521	4.7
136.98970	2.9
137.02454	38.2
139.03993	3.7
143.03502	3.5
151.00304	3.9
151.04074	6.5
153.02026	3.8
153.05571	8.7
161.02466	5.0
161.04539	5.7
163.04008	3.4
163.06107	4.4
163.33580	2.8
167.03572	4.1
168.00786	3.3
169.01440	26.1
179.03545	11.3
179.05588	13.7
183.06522	2.6
191.03568	3.3
203.03368	3.4
209.04556	3.2
211.02496	3.6
239.05644	2.8
281.06693	7.7
299.07779	9.7
299.11261	4.8
313.05746	7.2
335.07556	3.4
335.11398	6.8
377.12320	2.8
437.16852	12.5
451.25745	3.1
461.16696	100.0
462.17090	10.4
497.12683	31.2
498.12939	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	497.1667
Annotation	Eucalmaidin B
Peak:m/z	Relative Intensity
56.49975	0.6
59.01385	4.2
62.22458	0.6
67.01889	0.8
69.03467	0.7
71.01390	5.4
71.05041	2.5
71.28790	0.9
72.99335	1.6
73.02957	1.5
73.91679	0.7
74.99109	3.8
79.01897	0.8
79.95747	0.9
83.01394	1.2
85.02974	2.8
87.00912	0.9
89.02475	1.4
95.01409	2.3
96.96025	6.5
96.99380	0.6
99.00952	0.7
101.02477	2.1
107.01410	5.0
108.02199	3.6
109.02997	5.2
110.00099	1.0
111.00929	2.8
113.02498	2.3
121.02994	1.0
123.00889	13.5
123.01759	0.8
124.01724	1.8
125.02460	19.3
125.03334	1.2
125.06127	0.9
127.00405	1.1
135.98386	0.9
136.99170	3.8
137.02504	2.0
139.00385	12.9
139.04034	2.4
139.11279	1.1
140.01186	14.0
141.01958	1.8
151.00380	10.0
151.01559	0.7
151.04030	1.3
152.01167	6.3
153.01920	5.2
154.02762	2.8
155.03496	9.1
155.04544	0.8
164.89003	0.7
165.02005	1.2
166.99911	1.0
167.03534	1.4
168.00629	5.1
169.01442	24.5
169.05113	1.1
179.03560	1.4
183.03004	5.6
183.10388	2.9
197.04616	1.7
206.28821	0.6
208.42329	0.7
211.02496	6.1
221.79449	0.7
259.02448	0.7
271.04672	4.6
290.43112	0.7
296.58130	0.6
300.99942	1.6
313.05655	4.0
327.07388	2.6
341.08957	1.9
417.08627	0.8
479.10233	1.1
489.48102	0.7
497.16965	100.0
498.17337	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	497.1667
Annotation	Eucalmaidin B
Peak:m/z	Relative Intensity
51.73921	0.7
53.09093	0.8
53.50527	0.9
53.93216	0.7
55.83237	0.8
59.01369	3.3
61.98839	1.5
69.03478	3.9
69.12389	1.5
69.12794	4.9
71.01367	3.3
73.02946	1.0
74.35873	0.8
79.01910	1.3
80.18867	0.8
80.53135	0.8
81.03484	1.7
83.01382	1.9
85.02953	2.0
89.02438	1.2
95.01394	2.4
96.35740	0.8
97.02974	1.9
101.02424	2.0
107.01395	2.4
108.02177	4.0
109.02962	6.6
110.00087	1.6
111.00860	2.6
113.02495	2.0
116.33134	1.0
123.00887	11.0
123.04536	1.4
124.01686	23.2
125.02459	63.3
126.02771	1.3
137.02477	4.2
139.00380	17.1
139.04050	1.0
139.11290	3.9
142.08781	0.9
149.02440	1.5
149.99603	34.2
151.00290	3.1
151.04051	1.4
152.01161	4.2
153.01939	15.0
154.01558	1.1
154.02740	17.3
155.10806	1.0
161.04538	2.4
167.03485	2.9
168.00655	63.5
168.04240	1.8
169.01430	11.2
169.05089	28.2
183.10281	13.1
191.03577	1.0
211.02446	2.8
247.03448	1.0
261.07547	2.8
269.05933	0.8
271.04620	2.6
284.03372	1.7
299.05731	2.1
313.05594	2.4
335.22244	1.1
343.07062	1.8
387.00299	0.9
497.16577	100.0
497.26956	14.8
498.16803	9.3
498.27869	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1665
Annotation	Eucalmaidin B
Peak:m/z	Relative Intensity
59.01371	2.8
61.08388	0.7
61.98841	1.9
71.01379	1.6
73.02944	1.2
73.42985	0.8
79.01882	0.8
81.03471	1.9
85.02956	3.1
85.62463	0.8
87.04521	2.7
88.32332	0.8
92.93339	0.9
93.03455	2.0
95.01403	1.9
97.02945	1.7
101.02461	0.9
107.01412	2.2
108.02181	42.7
109.02969	30.5
110.03252	1.4
111.00896	1.0
123.00869	3.8
123.04540	2.4
124.01674	2.2
125.02456	13.7
135.04559	1.0
137.02452	3.1
137.09776	4.3
138.05553	0.8
139.00381	2.3
149.99542	2.3
151.00359	0.9
152.01164	50.9
153.01959	24.4
154.02504	1.4
155.10785	17.2
163.03986	1.2
167.03520	1.9
168.00656	5.2
169.01428	10.2
169.04990	1.1
169.12097	0.8
181.08759	0.9
186.49045	0.8
199.09804	4.9
211.02475	2.2
241.10655	1.4
270.85672	0.8
271.04520	2.7
273.07785	1.6
283.11905	2.0
312.14890	0.8
313.05759	1.0
315.07806	1.1
345.09024	3.6
345.59116	1.4
373.36093	0.8
421.09683	7.7
421.59634	2.3
453.17560	5.1
497.16626	100.0
497.60568	1.6
498.16977	10.1
514.19373	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88586	4.7
58.00592	4.7
59.01094	6.5
59.01381	100.0
61.98841	6.6
62.12124	5.4
62.66807	5.8
69.08415	35.1
69.08833	10.4
70.62178	6.2
71.01383	54.8
72.99303	6.8
73.02942	16.5
83.01386	14.8
85.02949	19.5
89.02441	61.2
98.22534	11.5
99.00892	14.3
101.02440	50.9
113.01463	5.0
113.02448	16.6
125.02437	18.1
131.03506	12.1
149.04567	32.9
161.04510	14.1
167.03499	10.6
167.10736	12.2
191.05664	6.0
233.06529	11.2
291.18179	60.5
293.08807	68.5
329.06418	46.1
369.13684	7.3
437.23904	60.4
453.19318	7.5
497.17926	37.1
497.24704	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	497.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.7
57.03426	4.4
59.01384	10.5
60.73531	1.1
61.98825	1.4
65.10577	1.0
69.03465	6.7
70.81271	1.0
71.01392	18.1
71.05009	1.6
71.28734	1.6
72.99306	1.0
73.02958	8.0
81.03407	1.5
82.75530	1.1
83.01382	2.5
85.02971	7.7
87.04510	4.4
89.02438	4.4
95.01389	4.2
97.02966	2.6
99.00889	1.7
101.02454	15.6
108.02180	43.1
109.02258	1.7
109.02959	30.4
110.00093	2.9
111.00862	4.5
111.08083	1.2
113.02477	8.6
119.03459	1.6
121.02996	1.4
123.00873	3.3
123.04517	2.5
124.01694	1.6
125.02465	11.2
134.56412	1.1
137.02469	2.0
137.09724	4.5
137.99550	2.7
139.00383	51.2
139.11304	21.5
140.00729	1.0
143.03482	2.5
149.99600	2.1
151.00191	1.4
152.01166	65.3
153.01949	46.0
154.02728	44.2
155.03096	1.0
155.09610	1.6
155.10800	20.3
159.02948	2.2
161.04588	15.3
161.23807	1.0
165.01817	1.4
168.00623	4.5
168.04263	6.2
168.87062	1.0
169.01396	4.9
169.05077	56.8
169.12341	1.5
170.05429	1.8
183.10277	60.1
184.10631	1.6
190.02635	1.4
194.66838	1.1
199.09706	5.2
205.05043	2.2
241.10828	1.4
283.11951	1.7
313.09366	1.9
335.20776	5.5
367.00464	1.2
421.09729	3.2
421.59534	1.3
453.17657	4.6
497.16592	100.0
498.16846	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	497.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63811	1.1
55.01864	1.3
57.03448	7.2
57.44366	1.0
59.01378	9.6
61.98812	2.8
65.23535	1.1
68.00906	1.1
69.03462	9.5
71.01386	24.5
71.05007	1.9
73.02945	6.8
80.91682	1.0
83.01370	3.5
85.02956	10.0
87.04510	3.2
89.02420	4.2
93.03422	1.6
95.01414	2.3
97.02890	2.4
98.21765	2.2
99.00843	5.2
101.02455	13.7
108.01514	2.0
108.02181	30.1
109.02975	18.8
110.00066	4.5
111.00900	7.7
111.08076	1.7
113.02457	13.2
113.05987	1.4
119.03524	1.4
123.00858	3.7
123.04433	1.7
124.01676	5.7
125.02454	20.9
135.04518	1.8
135.08171	1.5
137.02419	5.8
137.09715	2.3
137.99524	3.5
139.00383	81.5
139.11301	34.7
140.11638	1.5
149.02394	1.8
149.99596	7.5
151.03961	1.3
152.01172	36.8
153.01949	50.3
154.02725	72.0
155.03018	2.8
155.10805	11.6
159.02922	2.1
161.04568	19.5
164.04723	1.4
165.09210	1.5
167.03539	6.2
168.00644	12.2
168.04312	6.2
169.01428	9.6
169.05077	88.7
170.05356	2.8
175.00264	4.9
179.10663	1.3
181.08578	1.5
183.10272	100.0
184.10515	4.3
190.02722	9.8
199.09714	3.6
205.05110	10.7
215.12834	1.7
223.05937	1.5
229.15504	1.1
284.03329	1.9
299.05420	3.3
299.08911	2.5
313.09320	3.4
315.07635	1.5
335.20673	1.9
345.08823	2.1
399.27039	1.2
421.09149	3.8
421.59439	1.9
453.17319	5.8
461.19916	2.4
465.18417	1.3
497.16278	83.2
498.16516	8.0
501.74359	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2186
Annotation	Garcidepsidone C
Peak:m/z	Relative Intensity
52.97429	0.4
54.06053	0.4
86.62503	0.4
95.05023	1.0
111.04527	6.1
116.21949	0.5
117.22150	0.5
123.08165	2.2
125.06090	4.9
137.09700	1.8
139.04033	3.1
140.77660	0.5
165.09171	2.5
168.52393	0.5
169.16060	0.5
173.09764	0.4
179.10803	2.7
181.08650	0.7
191.07220	0.6
209.08197	10.2
217.08653	1.1
223.09746	8.7
227.07100	1.9
233.08240	0.5
257.11816	0.6
261.11200	0.8
273.11368	1.7
276.91693	0.6
287.12897	3.8
289.14355	1.5
297.11359	4.1
301.14517	1.1
311.12912	2.8
313.14578	0.7
315.12439	4.1
325.10770	1.3
326.11484	0.6
327.12531	0.7
327.15878	2.5
329.14032	3.9
339.12598	1.0
341.17514	2.0
345.17136	0.8
355.11649	0.6
367.11804	0.8
369.17062	2.1
371.14960	1.4
383.18735	0.6
385.16284	1.2
395.15015	0.6
397.19995	0.8
411.17960	0.6
413.15915	1.1
453.23041	3.5
497.21823	100.0
497.36356	10.8
498.22122	12.5
498.29474	0.7
498.36783	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66397	2.5
54.11062	2.5
55.01871	5.2
57.03445	3.9
59.01380	41.6
65.23193	3.1
69.03463	3.5
71.01387	40.4
73.02927	13.4
78.95916	5.2
83.01379	9.8
83.05024	3.0
85.02950	23.2
89.02448	8.7
99.00915	5.3
101.02438	39.8
101.81670	3.0
111.00853	3.6
113.02440	15.5
119.03480	4.7
122.73367	2.6
123.00790	2.8
125.02449	4.2
137.02406	3.4
137.23949	3.2
139.03973	3.6
151.03961	2.9
152.99582	4.0
161.04562	9.1
168.62474	3.3
217.58937	2.8
305.19708	100.0
306.19958	4.6
398.23761	3.4
437.23862	39.3
451.28720	6.6
453.30054	6.4
497.30151	20.8
498.28986	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	497.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18623	0.4
56.14175	0.5
57.03413	0.6
59.01360	1.3
61.98835	0.5
69.92416	1.9
70.95356	0.5
71.35655	0.5
85.06586	0.6
89.60187	0.5
95.05009	0.9
97.06576	2.2
123.08113	1.0
125.02542	0.6
125.09721	2.9
137.09779	0.5
146.97968	0.6
154.29651	0.5
173.11890	0.7
187.09792	1.7
227.14417	1.0
243.17574	3.8
295.20529	1.2
309.21350	0.7
311.23718	2.3
337.21793	1.4
393.27780	0.7
407.29907	0.9
409.31403	1.2
435.29135	1.2
451.28522	2.1
453.30191	7.8
454.30386	0.7
497.29102	100.0
498.29404	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	497.2912
Annotation	Sodwanone G
Peak:m/z	Relative Intensity
59.01365	0.9
61.98843	0.7
65.57806	0.5
66.45142	0.5
69.92716	1.6
76.55609	0.5
85.06647	0.6
87.72385	0.6
95.05006	0.8
97.06570	1.8
118.76888	0.6
121.06630	0.9
125.09696	2.5
171.10249	0.6
173.11667	0.6
187.09682	0.9
221.78131	0.7
227.14314	0.7
243.17560	3.8
259.16949	0.7
295.74487	0.6
311.23688	2.4
337.21597	1.8
389.13333	0.6
393.27963	0.9
404.02692	0.7
409.30997	1.9
435.28912	1.8
451.28528	2.4
453.30026	9.7
454.30286	1.2
497.29062	100.0
498.29425	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	497.3279
Annotation	CHEBI:69006
Peak:m/z	Relative Intensity
50.06417	0.6
58.25082	0.6
63.77604	0.6
77.48534	0.7
98.21810	1.3
107.14072	0.6
128.47578	0.6
184.16702	0.6
336.27014	0.7
497.32733	100.0
498.33121	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	497.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10127	0.8
69.09502	1.5
69.09821	6.8
73.75891	1.1
113.49111	1.0
163.40410	1.0
212.25198	1.0
267.45959	0.8
317.21454	1.1
370.31540	1.0
405.31613	21.6
406.32172	1.7
421.27267	2.0
435.29190	1.2
437.30151	1.8
451.32196	71.3
452.32605	8.2
453.33939	2.1
455.34998	1.1
497.32925	100.0
498.33047	9.5
498.36877	5.3
508.24158	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
60.06165	0.9
68.77884	0.7
70.62327	1.8
72.58023	0.7
77.58270	0.6
138.63763	0.6
140.60242	0.7
241.14516	0.7
497.32715	100.0
498.33081	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	497.3279
Annotation	CHEBI:69006
Peak:m/z	Relative Intensity
54.14661	0.4
58.04158	0.4
70.77331	0.6
70.77671	0.9
96.27931	0.4
101.48364	0.4
102.15511	0.4
131.90729	0.4
136.85475	0.4
340.13516	0.4
411.41864	0.4
451.32278	3.3
497.32748	100.0
498.33185	10.0
508.53397	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.364
Annotation	Argenteanone D
Peak:m/z	Relative Intensity
93.63087	1.1
97.15345	1.1
98.22626	1.8
104.51570	1.0
149.26491	1.1
158.44402	1.1
226.51694	1.0
267.68866	1.2
497.36426	100.0
498.36838	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	497.3639
Annotation	3beta-Acetoxy-1beta,11alpha-epidioxy-12-ursene
Peak:m/z	Relative Intensity
60.64717	0.6
60.71392	0.5
68.06430	0.6
80.69012	0.5
94.28639	0.6
95.18606	0.5
121.39483	0.6
121.67588	0.6
140.61032	0.5
185.61603	0.5
219.44533	0.6
234.74640	0.6
259.78613	0.7
267.19125	0.7
274.95514	0.5
289.88876	0.6
437.34351	0.9
497.36411	100.0
498.36722	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	497.364
Annotation	Lansic Acid 3-Ethyl Ester
Peak:m/z	Relative Intensity
54.28818	1.1
76.23640	1.2
83.98752	1.1
96.28727	1.2
124.73550	1.3
131.53621	1.3
140.09048	1.2
145.19284	1.1
145.46344	1.2
164.28122	1.4
196.65913	1.3
229.18750	1.6
231.06836	1.5
293.49530	1.5
405.31610	17.5
406.31876	1.5
437.30331	3.3
451.32196	68.3
452.32535	6.4
453.34406	1.8
455.35422	3.0
497.36374	100.0
498.33270	6.4
498.36755	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	497.3638
Annotation	3beta-Acetoxy-1beta,11alpha-epidioxy-12-ursene
Peak:m/z	Relative Intensity
57.03436	1.1
59.01387	4.3
62.43438	0.8
69.12576	6.4
75.72700	0.9
82.70612	0.9
83.05061	1.0
91.05113	0.8
99.88785	0.8
129.57788	0.9
136.71457	0.9
138.44659	0.9
197.59743	0.9
202.86118	0.9
251.10510	0.9
355.37347	0.9
359.75320	0.8
407.33401	3.2
437.34229	3.5
451.32452	0.9
453.33701	8.6
455.35287	1.3
497.36136	100.0
498.37827	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	498.126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62204	0.2
57.03465	0.3
59.01376	0.5
59.04604	0.2
61.12398	0.2
61.98835	100.0
63.01265	0.2
69.07796	1.9
71.01351	0.3
81.03481	0.7
83.01395	0.3
93.03461	0.4
119.05041	0.8
123.00884	0.3
123.04537	2.0
125.02441	2.1
137.02475	0.3
149.02420	0.2
150.06947	0.7
151.00414	0.4
157.08646	0.3
167.03513	5.3
168.00760	0.3
169.01477	0.7
179.03575	0.7
179.10835	1.0
211.02477	0.2
273.07703	8.4
274.08121	0.4
335.22192	0.4
336.23016	0.3
337.20419	0.8
405.47458	0.3
431.83859	0.2
435.12610	1.1
498.17441	0.8
499.18546	0.5
499.25690	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	498.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.5
61.98834	100.0
69.19827	0.5
69.20229	1.3
69.77476	0.3
76.78017	0.3
78.95015	0.3
80.21175	0.2
81.03475	0.5
83.01401	0.6
93.03489	0.3
119.05058	0.6
123.04533	1.4
125.02440	1.5
137.02505	0.4
139.00287	0.3
167.03497	5.3
167.04723	0.4
169.01482	0.5
179.03571	0.7
182.72171	0.3
234.08029	0.4
247.05707	0.4
273.07693	8.0
273.10379	0.5
274.08133	0.7
354.76706	0.4
435.13168	1.0
498.17542	0.9
499.18939	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.22
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70985	0.6
54.96324	0.7
55.33499	0.6
56.97466	0.6
59.01377	8.8
61.98832	100.0
63.69589	0.6
64.58441	0.6
71.01389	3.5
71.28576	0.8
73.02951	1.8
83.01404	1.0
85.02968	2.0
89.02428	0.8
95.01385	1.0
96.01888	0.6
101.02489	2.3
108.02187	5.6
109.02991	10.6
110.03320	3.1
123.00884	1.4
123.04560	2.2
125.02493	1.5
126.90468	2.0
139.11313	1.9
140.11681	1.3
144.58562	0.7
151.04047	0.8
161.04565	0.9
161.78894	0.6
163.11285	0.9
169.01302	1.0
183.10280	4.1
184.10695	3.1
193.08704	6.6
193.10039	0.6
225.11314	0.9
226.34303	0.7
243.12469	0.8
284.03409	2.1
285.03723	1.5
289.16718	0.7
290.16956	1.3
292.17343	1.1
299.02536	0.9
299.05475	3.4
300.02646	1.1
300.06033	1.5
438.23380	1.6
461.11362	0.9
462.11676	1.5
480.19794	2.2
488.28360	0.7
498.20871	12.8
499.18289	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	499.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46329	2.0
59.01367	2.7
61.79477	1.9
63.29763	2.0
67.58580	2.3
69.01956	19.7
71.01374	2.1
72.69356	1.8
79.95733	4.5
83.01376	2.5
94.98107	7.8
97.02943	2.8
107.01443	4.6
108.02196	10.5
109.02960	100.0
116.67307	2.5
123.00900	8.8
123.04531	6.6
125.01596	3.4
125.02456	21.1
126.02809	5.1
137.02457	4.9
139.04019	2.6
140.01195	2.9
142.29951	2.4
149.02444	2.5
151.00410	7.5
151.03951	3.8
152.01183	16.3
153.01945	76.4
154.02322	3.6
155.02440	3.1
162.53238	2.1
165.01898	2.6
168.04260	6.6
169.01413	20.1
169.04672	5.1
170.01837	6.9
171.01910	5.8
194.61671	2.5
199.25548	2.3
203.07214	5.4
205.05099	3.3
245.08257	5.3
289.07147	23.1
301.03519	7.1
315.06851	8.8
345.09775	4.6
498.13275	5.6
499.12888	33.3
499.19467	77.7
500.18750	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13389	5.6
57.13695	5.4
59.01383	100.0
69.33495	30.9
69.50191	5.2
71.01391	24.2
89.02448	29.1
93.63657	4.4
101.02473	14.2
103.92045	5.2
113.02480	15.5
119.03493	11.1
125.02471	6.9
132.75920	5.1
145.33916	5.1
153.14696	4.5
156.99084	14.6
179.05624	15.9
191.05629	7.5
341.07111	7.5
341.10956	99.2
426.87256	5.7
451.61847	5.8
491.26422	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	499.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99577	1.6
59.01372	2.3
69.04513	1.5
70.58874	2.7
71.01391	1.8
77.49085	1.3
79.60680	1.3
79.95726	3.6
81.14994	1.4
83.01404	1.7
86.33535	1.2
87.00912	6.3
88.98797	2.6
96.96010	5.9
101.02378	1.5
102.98595	3.0
107.01427	8.1
108.02169	5.5
109.02930	3.9
113.41615	1.4
120.99674	14.0
123.00873	5.4
125.01536	2.7
125.02457	53.1
126.02724	1.5
137.02444	2.5
151.00366	5.3
152.01135	4.4
153.01985	2.5
169.01436	54.8
170.01726	2.0
189.99234	1.9
193.01469	1.5
225.11319	12.8
229.97028	4.0
236.00966	1.3
259.10098	11.5
300.02695	4.3
301.03271	1.6
347.11734	27.8
348.11951	1.4
377.12473	34.0
378.12567	2.7
385.58621	1.4
393.10077	3.0
411.11160	19.8
418.95721	2.1
422.02191	1.8
447.86420	1.6
455.19904	2.2
499.12631	100.0
499.18594	11.9
500.12903	7.1
516.91364	1.3
517.67078	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.4
71.39751	0.3
78.53101	0.4
79.95745	27.3
80.96532	0.5
95.01350	0.4
95.95247	13.5
96.96021	100.0
97.02934	0.5
98.22631	0.7
108.02177	0.7
109.02957	2.5
109.22763	0.3
110.97588	6.5
121.02940	0.8
123.00925	0.9
123.04524	0.8
124.01687	1.1
125.02429	1.9
126.53728	0.3
137.02454	1.1
138.03223	1.7
139.00362	0.6
139.03983	0.9
141.95781	0.6
149.02422	0.4
151.00702	3.1
151.04042	0.7
152.01132	1.2
153.01875	1.0
153.05597	0.6
161.02454	1.0
162.03214	0.4
165.01932	0.5
166.02754	0.7
166.06346	0.4
167.03488	0.7
169.01460	0.8
176.04840	0.7
177.01921	1.0
179.03506	1.2
181.05063	1.5
191.07106	0.5
193.05144	0.9
194.05826	1.3
203.07158	0.7
209.08290	2.0
221.08093	0.5
245.08189	0.5
255.02660	0.4
274.01596	0.4
274.72925	0.4
289.03915	1.7
289.07169	4.2
300.02811	0.6
302.25620	0.4
345.06232	0.7
345.09885	0.6
347.17136	0.5
389.12369	2.2
413.09027	0.6
418.95319	0.4
467.17059	0.5
469.08099	3.4
470.08109	0.5
477.94717	0.4
484.10406	3.2
499.12772	82.3
500.13071	6.8
500.19830	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.8
59.01103	0.5
59.01368	2.9
60.99305	1.4
61.98812	2.2
67.01900	3.7
69.03445	1.0
69.44661	1.3
69.45071	1.9
71.01386	4.3
81.03433	1.2
83.05028	0.8
85.02981	1.4
86.58389	0.5
87.00880	1.4
89.02441	1.6
93.03461	28.5
94.03778	0.7
95.05027	0.8
96.96025	2.4
101.02445	1.2
109.02950	1.5
111.00895	1.0
111.04530	4.6
113.02453	1.5
119.05037	25.9
120.05341	0.7
123.04527	1.3
123.51217	0.5
125.02438	1.6
137.02448	6.0
151.04016	4.8
155.03508	4.3
163.04021	22.7
164.04362	1.1
173.04553	100.0
174.04883	3.0
179.03516	1.0
191.05630	2.2
201.01981	0.7
206.99651	1.2
239.05658	0.6
249.40675	0.6
277.12228	0.7
299.07785	0.7
325.09341	1.5
337.09174	0.9
439.05823	2.2
461.16702	1.8
499.14175	7.8
500.14792	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1461
Annotation	kn-93
Peak:m/z	Relative Intensity
56.49052	0.9
59.01369	2.5
60.99297	3.1
67.01894	10.3
69.03464	4.5
69.21571	5.5
71.01374	5.0
81.03453	2.1
83.05052	1.9
85.02954	5.5
87.00893	15.7
93.03465	76.5
94.03744	1.1
97.43087	0.8
99.00913	1.6
99.04514	1.2
101.02457	0.9
109.02939	1.9
111.04512	10.6
119.05040	35.7
120.05349	1.5
123.75768	0.9
127.04034	1.2
129.01913	2.6
140.07419	1.0
145.03001	1.8
154.35970	1.0
155.03493	2.8
163.04010	22.9
164.04381	1.0
173.04564	21.6
174.04871	1.2
191.05620	97.4
192.06003	3.3
202.90730	1.0
243.25084	0.9
337.09372	14.5
379.10434	3.0
499.14615	100.0
500.14871	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	499.1835
Annotation	Rolapitant
Peak:m/z	Relative Intensity
55.01864	0.5
56.22749	0.5
57.03453	2.0
58.60731	0.6
59.01380	0.7
63.12483	0.6
64.76785	0.5
68.99805	0.6
69.03461	0.7
69.39298	1.9
69.39717	1.0
71.01386	4.3
73.02951	1.1
74.13958	0.4
79.95773	0.5
81.03448	1.2
83.01405	1.2
85.02959	4.3
85.15471	0.5
87.04527	3.5
88.98804	0.8
93.03478	0.5
95.01395	3.4
96.96021	1.2
97.02950	0.8
99.00900	1.2
101.02457	2.3
107.01412	0.8
108.02182	59.2
109.02968	37.0
109.04072	0.7
110.03282	0.5
111.00901	0.8
113.02462	2.8
120.67902	0.5
121.02927	1.2
123.00892	3.3
123.04559	1.3
125.01592	0.6
125.02464	4.2
125.06115	0.6
126.02773	0.9
135.04471	0.6
139.03963	0.9
139.11235	0.5
140.01134	0.9
151.00381	0.5
151.04044	1.9
152.01161	63.7
153.01949	19.0
163.04063	1.5
165.01973	1.7
165.05518	0.6
168.04305	0.5
169.01489	3.2
169.04663	0.7
170.01796	1.2
171.01976	1.6
201.11327	0.6
272.35922	0.5
280.01056	0.6
289.07239	1.6
301.03806	0.5
314.06430	0.6
315.07242	12.4
451.33289	0.8
452.33325	2.0
453.33597	0.6
499.18387	100.0
500.18655	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	83.8
59.01377	1.9
60.20741	0.9
69.00703	6.8
71.01348	0.9
79.95782	1.8
80.34654	0.9
96.96029	2.0
99.04526	37.4
101.02444	11.9
105.78947	0.9
125.02453	13.3
126.90428	1.2
135.04527	11.0
136.04056	1.2
137.02490	1.6
163.04018	71.1
164.04385	2.6
169.01385	1.0
178.06357	72.7
179.06770	3.4
193.08704	100.0
194.08998	4.3
305.06650	2.0
405.24179	1.1
499.12784	1.3
499.25754	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	89.0
58.03778	1.1
59.01382	2.8
59.83746	0.8
65.39864	0.9
71.01380	1.1
79.95724	2.6
81.03458	1.0
83.01384	1.6
88.98792	1.0
94.05898	0.8
96.96018	2.6
98.21735	2.3
99.04530	42.1
101.02450	12.1
109.02919	1.8
125.02466	16.6
126.90373	1.3
135.04544	11.5
136.04034	1.4
137.02457	2.0
148.78537	0.9
157.02393	0.8
163.04019	77.0
164.04338	2.2
178.06364	78.5
179.06723	2.9
193.08708	100.0
194.09064	4.4
221.04671	1.0
239.31006	0.9
258.59708	1.1
305.06509	2.6
384.49582	0.9
461.69302	0.9
486.88470	0.9
499.11591	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.4
67.84705	0.4
68.99812	0.5
69.39911	1.6
69.40324	1.0
71.01655	0.6
85.02957	12.1
85.06595	1.3
87.04514	1.7
95.05033	7.1
98.21783	1.0
109.02994	1.5
111.00866	0.6
111.04531	20.3
111.08134	1.3
113.02475	2.4
113.06096	4.7
121.02990	0.6
123.08170	1.9
133.34531	0.4
137.02428	0.9
139.04033	1.8
139.07680	0.8
155.07164	4.4
155.86511	0.5
163.03996	0.8
165.01945	0.7
165.05602	1.0
165.09180	3.2
167.07161	1.6
179.07164	3.0
181.08759	0.7
183.06636	53.9
184.06989	1.6
191.07166	0.8
199.07530	0.6
205.05118	0.8
207.06639	3.5
208.07355	1.1
209.08183	11.2
215.07135	0.8
217.08667	0.9
219.06592	0.9
219.13849	0.7
219.66995	0.5
221.08217	0.8
223.09778	1.5
225.07637	0.9
229.08591	0.6
233.08101	4.1
243.06555	0.9
245.08180	0.6
247.06042	1.0
248.06918	4.9
253.08725	0.7
257.08243	0.8
263.12869	3.3
271.09747	0.9
273.08258	0.6
273.11191	2.4
275.09180	1.1
275.12866	1.2
285.11295	0.8
287.12848	2.7
289.10907	5.0
289.14084	0.9
291.12421	0.8
297.11368	1.0
298.08344	0.5
301.07257	0.8
313.10922	2.1
315.12427	4.3
315.15836	0.8
323.12857	1.2
325.14554	1.0
340.09372	0.7
341.10190	1.0
341.14026	0.7
343.15533	3.0
344.09015	1.0
351.12360	1.0
354.10983	0.9
359.14951	0.7
367.15625	1.1
368.12500	0.8
369.13467	3.8
383.15030	0.8
387.14612	4.3
393.13260	1.1
411.14536	8.2
412.15387	1.5
413.12552	1.7
429.15878	0.8
437.19736	2.3
453.19354	0.9
455.21304	0.7
456.14331	2.7
481.18817	5.6
484.17377	2.6
499.19785	100.0
500.20142	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.8
59.01379	2.1
71.28911	0.7
85.02961	9.8
85.06594	1.9
87.04510	2.3
95.01463	0.7
95.05024	6.9
98.22621	1.2
101.89535	0.8
109.02972	2.1
111.04530	18.5
111.08141	1.2
113.02451	3.1
113.06073	3.9
123.08158	1.5
125.06055	1.2
139.04001	1.4
139.07643	0.7
155.07152	4.5
165.09280	2.2
167.07184	0.7
173.06252	0.8
179.07155	1.3
179.10764	1.4
181.05075	1.4
181.08716	7.5
183.06633	55.7
184.06969	2.0
205.12386	1.1
207.06604	2.0
207.13925	8.0
208.07439	1.1
209.04602	0.8
209.08206	10.0
215.07182	0.9
217.08769	0.8
219.06561	0.9
221.08290	1.6
223.09758	4.7
225.07610	1.2
229.15276	0.8
233.08177	4.8
239.51686	0.6
245.08124	1.3
247.06143	0.7
247.09987	0.7
248.06876	5.6
249.07593	0.8
249.14932	5.6
263.09332	1.8
263.12894	7.4
273.07388	0.8
273.11343	1.9
275.09512	0.9
275.12863	3.3
279.09930	0.7
287.12982	1.8
289.10828	3.2
289.14102	1.0
291.12323	1.1
297.11328	0.9
301.07266	1.1
312.09714	0.8
315.12476	3.4
316.09479	0.8
341.10281	1.1
343.15524	3.1
344.09155	1.2
351.12622	1.2
369.13379	3.1
387.14658	4.0
411.14417	10.5
412.15057	1.1
413.12494	2.8
427.21475	0.9
437.19678	1.0
438.13177	1.5
456.14261	3.1
481.18649	2.2
484.17548	2.5
499.19778	100.0
499.29855	6.6
500.20001	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	499.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46271	0.5
57.70255	0.5
59.01371	2.3
67.51508	0.6
68.99823	0.7
85.02956	10.8
85.06589	1.3
87.04549	0.8
95.01373	0.6
95.05042	8.1
96.43278	0.6
101.36740	0.5
109.03001	0.9
111.04532	15.4
111.08139	1.4
112.04797	1.0
113.02460	3.4
113.06102	5.3
121.06605	0.6
123.08186	1.4
125.06115	1.0
137.02452	1.1
139.04045	2.1
139.07657	0.7
144.89735	0.6
147.38707	0.6
151.04074	0.7
153.92996	0.5
155.07147	5.0
163.03937	1.0
163.05255	0.6
165.05630	0.8
165.09235	3.1
167.07188	0.7
179.07167	1.1
179.10812	1.3
181.08702	6.9
183.06639	58.4
184.06975	2.1
191.07268	1.3
193.08664	0.9
197.08257	1.2
207.06636	3.1
207.13985	0.7
208.07353	0.8
209.08214	10.7
217.08688	0.9
221.08189	1.0
223.09758	5.1
225.07648	1.4
233.08266	6.8
243.06570	0.8
247.06134	0.8
248.06946	3.2
248.10565	0.8
249.11412	0.8
263.09390	0.9
263.12836	6.9
273.11374	1.8
275.09866	0.7
275.12912	4.1
277.74710	0.6
287.12973	2.2
289.10898	2.9
289.14490	2.3
291.12396	1.3
297.11288	1.1
301.07062	0.8
313.10770	1.7
315.12460	5.1
325.14438	0.8
343.15549	3.2
344.09164	1.1
351.12396	1.3
367.15634	1.3
368.12729	1.0
369.13486	2.2
383.14923	0.9
387.14548	6.1
393.13419	1.2
411.09045	0.8
411.14529	12.0
412.15192	1.8
413.12445	2.6
417.22968	1.0
427.21506	1.2
437.19760	1.8
438.13312	1.0
455.20825	1.0
456.14240	3.1
481.18536	3.6
484.17505	3.3
499.19791	100.0
500.20050	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	499.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	12.4
71.28252	4.2
71.28625	3.1
74.39510	3.1
77.75875	3.2
78.95914	3.4
87.04533	3.8
88.98851	3.6
93.50625	2.6
95.05040	3.4
107.05053	5.5
109.02939	23.8
109.06620	3.5
111.04542	20.5
113.09753	3.7
121.06630	3.5
125.06098	3.7
137.09747	3.7
151.03951	6.2
152.99637	5.8
156.03177	3.2
175.11273	3.1
177.12909	10.0
179.07147	94.8
179.10806	5.8
180.07437	6.3
181.08675	39.8
181.09967	2.7
193.08720	5.1
195.06734	3.1
205.12433	9.3
207.13887	38.3
209.08180	14.2
219.10291	7.7
219.13965	4.9
223.09831	6.1
233.08118	4.1
235.09805	5.8
235.13426	6.9
237.11322	17.7
248.10535	5.6
249.11267	4.4
249.15083	10.2
251.13004	4.6
255.39853	3.0
263.09317	20.5
263.12909	39.6
263.15552	3.2
291.16083	3.0
328.34393	3.6
369.13440	4.2
381.09854	24.9
427.21802	3.8
439.17557	28.3
440.17545	4.5
441.15741	3.5
441.23215	3.1
481.33615	6.3
499.23657	100.0
499.30725	26.8
499.34610	20.1
500.23889	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	499.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.5
59.01383	34.4
61.98817	4.4
69.51965	12.5
71.01385	37.2
73.02943	20.1
78.95909	16.1
83.01397	5.4
85.02964	15.0
85.63034	3.1
87.00899	3.9
89.02466	12.2
94.86816	3.3
96.96026	25.7
96.96964	37.9
97.03012	3.9
99.00906	3.4
101.02450	27.5
106.85421	3.0
108.02240	3.6
111.00866	5.4
113.02451	14.9
123.00901	8.9
125.02454	13.9
141.01958	3.9
151.00372	5.3
153.01939	4.6
161.04564	9.0
169.01447	14.6
176.95787	3.2
221.27211	3.5
307.17621	29.0
439.21823	100.0
440.21973	4.8
470.24625	3.4
499.18814	49.7
500.19022	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.1
56.36578	2.5
57.03437	4.5
59.01101	3.3
59.01381	44.1
68.99560	5.9
69.61982	11.0
71.01385	47.3
72.99304	2.7
73.02950	14.7
73.03275	2.3
83.01373	10.6
85.02957	21.9
87.00872	3.3
89.02451	15.0
92.69879	2.1
95.01382	6.5
97.02969	4.6
98.21828	3.2
99.00895	8.0
101.02443	44.0
103.92023	2.5
108.02183	3.0
109.02973	4.7
111.00900	3.1
112.98537	5.7
113.02457	26.1
119.03491	3.7
121.64513	2.2
123.00872	5.4
123.04603	3.7
125.02469	11.4
137.02467	3.7
139.00348	2.7
143.03435	3.5
152.01115	3.2
152.89545	2.1
155.19203	2.4
159.03026	4.7
161.04559	18.0
162.84894	2.5
169.01405	8.5
172.95351	3.8
271.04846	2.9
307.17633	100.0
308.18054	4.8
426.99374	2.4
439.21811	67.4
471.09091	3.0
499.18741	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.5
55.20928	0.5
56.91550	0.5
57.03219	0.5
57.03452	5.4
59.01391	7.8
71.01386	5.5
72.99298	0.5
73.02952	0.6
73.05365	0.4
73.52314	0.4
81.96075	0.4
83.01358	0.5
85.02962	1.7
89.02457	3.2
95.01417	0.5
97.06570	0.6
99.04517	1.9
101.02453	5.3
101.13079	0.5
109.02960	0.7
109.06589	0.8
113.02477	1.8
119.03492	0.8
125.02420	1.7
133.61275	0.5
135.04666	0.6
153.01939	2.2
163.04031	5.1
165.26851	0.4
167.10773	1.0
178.06383	4.7
192.04436	0.6
193.08684	6.3
201.75322	0.5
211.09752	1.4
213.11333	5.6
273.18622	1.0
319.19180	6.0
323.02786	0.6
412.19498	0.5
419.17148	1.9
499.25534	100.0
500.25818	9.1
503.72949	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.307
Annotation	Sodwanone A
Peak:m/z	Relative Intensity
56.92685	3.4
57.03441	4.4
60.02351	3.0
62.41669	3.2
63.66710	3.5
65.55644	2.9
71.28562	3.4
75.48303	3.2
77.25465	2.9
78.75569	2.9
95.05018	5.2
109.06593	5.3
111.04541	12.6
113.09728	15.6
125.06079	9.5
137.09729	4.0
151.04059	4.2
160.81499	3.2
165.09210	4.4
166.06357	3.8
177.12819	6.6
181.08705	100.0
182.09056	4.0
182.85866	2.8
183.06642	6.3
187.03915	3.1
193.08595	5.5
205.12341	16.0
207.13905	85.0
209.08252	11.1
219.06522	3.9
219.10266	4.7
219.13745	4.4
233.08151	7.6
235.06116	5.7
235.09654	7.4
248.10519	4.2
249.07852	4.6
249.14966	46.1
251.12894	9.6
263.09406	24.3
263.12820	43.0
275.09171	4.2
291.16000	8.4
369.13416	6.9
391.49359	4.2
427.21268	7.0
499.19678	12.7
499.24066	9.7
499.30682	93.3
500.30847	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	499.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87380	0.6
52.68650	0.6
56.80485	0.7
57.03432	0.8
59.01376	0.9
60.99308	5.2
61.98816	0.7
69.68262	2.8
70.63156	0.6
71.04998	0.9
83.05038	1.3
86.10748	0.7
97.06559	2.1
116.96025	0.7
123.08165	1.0
124.22618	0.6
125.09727	4.3
134.98766	0.6
135.34108	0.7
137.09735	1.0
141.09222	3.1
164.23944	0.6
171.10271	1.2
173.11850	3.2
187.09705	1.2
201.83757	0.6
299.22293	1.2
301.21722	1.3
323.23697	1.2
325.20187	0.9
325.25317	3.3
329.23337	0.8
331.24777	0.8
357.24405	0.7
365.97366	0.7
391.30136	4.2
393.31732	2.9
409.31174	3.2
411.33157	3.2
435.28812	2.4
437.24487	1.3
437.30597	23.9
438.30890	2.4
453.30002	1.5
455.31653	10.6
456.31821	1.4
481.30444	1.5
499.30753	100.0
500.31204	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	499.3068
Annotation	Officinalic acid
Peak:m/z	Relative Intensity
50.90288	1.7
59.01383	4.0
78.95885	1.9
86.72475	1.7
111.08179	1.7
125.09777	2.5
134.10483	1.5
411.32822	11.9
412.33237	1.9
437.30457	5.2
455.31506	100.0
456.32135	10.0
471.35043	2.6
478.37717	1.6
489.40979	1.6
499.30093	28.6
500.31180	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	499.3072
Annotation	Officinalic acid
Peak:m/z	Relative Intensity
59.01376	0.5
67.27513	0.3
69.17653	2.5
73.90157	0.4
83.05036	0.4
85.06587	1.2
97.06593	0.7
109.06538	0.4
117.04930	0.3
129.95651	0.4
135.08054	0.4
203.95299	0.3
237.33011	0.5
243.17560	2.1
295.20633	0.5
309.22064	0.6
311.23846	4.6
337.21649	1.5
339.23315	0.7
341.24951	1.0
391.30273	0.6
407.29794	0.7
409.31158	4.7
410.31302	0.4
411.32758	1.5
435.29089	3.5
437.30615	1.0
453.30130	2.4
455.31689	13.2
456.31934	1.6
469.29642	0.5
494.14703	0.4
499.30704	100.0
500.31070	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3071
Annotation	Poricoic acid E
Peak:m/z	Relative Intensity
69.18993	2.4
69.19408	5.8
71.05022	3.2
81.03473	1.5
83.05006	1.5
85.02886	1.6
90.36744	1.4
96.96981	2.0
97.06626	3.6
97.93166	1.2
98.22542	2.8
104.19086	1.3
107.26939	1.2
113.92662	1.8
121.02960	7.2
125.09825	1.7
137.09764	2.0
193.01909	2.4
194.99709	2.1
246.90002	1.4
281.19125	2.3
297.04626	2.5
297.22064	6.6
311.20316	2.9
327.23331	6.4
388.11606	1.3
393.27936	2.5
395.29599	18.9
396.30112	2.0
401.08890	2.6
413.18018	1.4
425.30646	96.7
426.31003	8.9
429.05011	1.9
439.28754	3.5
453.30151	2.4
455.03201	8.6
455.31836	5.7
469.29626	41.7
470.30347	4.0
499.02118	1.7
499.30875	100.0
500.31152	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	499.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17963	0.6
52.51017	0.8
57.03463	3.7
63.56652	0.7
69.14271	0.9
69.14586	5.0
91.44613	0.6
97.06585	6.8
119.14016	0.7
123.08170	4.7
125.09732	37.1
126.10043	1.1
143.10829	0.8
156.51332	0.7
157.12215	0.9
173.11890	1.2
187.09764	8.2
189.12846	1.3
249.13036	0.8
297.20901	0.9
307.20706	1.4
329.23318	2.7
343.20810	0.9
344.64124	0.7
359.06882	0.8
377.28494	1.2
409.20230	0.8
421.27533	14.9
421.32803	0.6
422.27908	1.4
424.19748	0.7
437.30630	17.2
438.30853	2.3
455.31711	7.0
481.29849	4.5
499.31287	100.0
500.31360	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	499.3283
Annotation	Discarine E
Peak:m/z	Relative Intensity
51.25355	0.6
57.03454	5.3
59.01370	0.9
69.03472	0.7
71.05043	0.7
71.27038	0.9
73.02946	1.3
80.02676	0.6
83.05044	0.9
95.05074	1.3
96.53724	0.7
97.06599	11.1
123.08161	6.8
125.09733	56.1
126.10078	1.2
143.10808	0.8
155.10861	0.7
157.12340	1.3
169.08786	1.1
170.45712	0.6
173.11894	2.4
187.09778	12.9
187.13405	1.4
189.12921	0.9
283.22925	1.3
311.22403	1.0
329.23279	3.4
365.02081	0.6
421.27585	7.6
422.27881	1.2
437.30612	8.8
453.30551	0.8
455.31888	4.2
481.29666	4.2
482.30551	1.0
499.32404	100.0
500.32684	10.8
529.28253	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	3.1
58.70164	0.6
59.01386	1.2
69.03464	1.2
69.57760	0.7
71.05035	1.1
73.02970	1.1
77.58793	0.7
83.05061	1.4
95.05083	1.3
97.06599	12.0
106.42146	0.6
109.06591	0.8
111.08167	1.5
116.92861	1.4
116.93665	0.6
123.08173	6.4
125.09731	52.3
126.10097	0.9
127.11295	0.9
139.11293	0.7
141.09235	2.5
143.10800	1.2
153.09193	0.9
154.42519	0.7
155.10808	1.0
157.12386	1.8
169.08740	1.9
173.11896	2.2
181.08716	0.8
187.09790	16.1
187.11382	1.1
187.13408	1.0
247.20827	1.9
263.20566	0.7
265.21838	1.2
291.19659	1.6
309.20950	2.4
311.22391	2.0
327.21774	4.0
329.23346	5.2
345.22980	2.1
407.29807	1.3
409.31451	1.3
425.30798	1.4
435.29333	1.5
437.31088	3.2
453.30252	1.7
455.31607	9.5
456.32373	0.9
481.31396	1.1
499.32672	100.0
500.33115	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	499.3287
Annotation	Discarine E
Peak:m/z	Relative Intensity
57.03459	4.7
59.01390	1.3
69.03450	0.9
69.45494	3.7
71.05014	0.6
83.01395	1.2
88.64548	0.6
91.82052	0.6
95.01427	1.1
95.05042	1.1
97.06589	11.3
109.02988	2.2
111.00885	5.2
111.04537	2.4
113.09741	2.7
122.71474	0.7
123.00907	1.6
123.08186	5.7
125.09731	62.4
126.10059	1.2
127.11323	2.0
135.00862	1.3
137.09773	1.2
143.07182	0.8
143.10809	1.8
153.01961	1.0
161.06090	0.8
163.04015	8.8
165.05598	1.4
166.06348	0.8
169.08737	1.3
171.10269	4.0
173.11864	1.6
179.07170	2.6
181.05113	10.0
181.08717	23.5
181.10266	1.4
182.09044	1.0
183.06583	1.5
187.09770	22.9
187.11388	1.3
203.03287	1.8
214.04904	0.8
217.04909	0.9
219.00655	14.1
221.11804	0.8
235.09761	0.7
235.13425	1.5
253.04852	1.1
263.03293	6.4
293.21436	0.9
307.19519	0.9
311.22284	3.4
313.23972	1.1
329.23318	18.8
329.27036	1.3
330.23801	0.8
369.13562	2.0
409.31277	1.4
411.32892	1.3
419.29565	0.7
421.27103	0.9
437.30597	2.6
439.17557	1.2
453.18958	1.0
455.31635	3.9
463.30875	1.0
465.30392	2.0
481.16217	1.1
481.30887	1.3
496.93863	0.7
499.18063	5.4
499.32761	100.0
500.33109	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	499.3437
Annotation	Serjanic acid
Peak:m/z	Relative Intensity
52.27150	2.8
52.85226	2.7
53.47283	2.5
72.03177	2.6
84.41037	3.0
121.62390	3.1
141.68730	2.7
169.80838	3.1
172.06828	2.9
228.57527	3.6
229.18808	3.0
313.35596	3.4
378.14993	3.3
425.30145	3.4
467.13858	3.2
499.34454	100.0
500.34851	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	499.3432
Annotation	Serjanic acid
Peak:m/z	Relative Intensity
58.93560	0.4
66.72997	0.4
68.79807	0.4
72.04907	0.4
78.06784	0.5
98.22546	1.1
105.00958	0.4
111.04519	0.9
156.42267	0.5
181.08716	1.6
183.06580	0.6
195.43033	0.4
209.08284	0.9
210.68993	0.4
263.05673	1.3
263.09210	3.9
317.14047	0.7
391.30020	0.6
393.31781	0.6
423.32739	1.1
453.33688	7.1
454.34335	0.8
499.34341	100.0
500.34656	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	499.3436
Annotation	Serjanic acid
Peak:m/z	Relative Intensity
57.03457	2.2
58.68426	0.3
69.03446	1.2
69.41799	0.2
80.55872	0.3
82.11850	0.3
111.04510	0.9
117.67517	0.3
135.08162	0.5
181.08748	0.5
183.06650	1.6
209.08244	1.0
219.14011	0.4
263.09326	0.7
303.07782	0.3
383.14893	1.1
395.33182	0.4
411.14261	0.4
439.32144	1.1
455.35538	2.4
499.19739	2.6
499.34314	100.0
500.19321	0.4
500.34653	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	500.0476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91443	3.0
60.44510	2.8
61.98814	6.3
64.81033	2.6
70.61124	2.7
70.61434	4.3
71.05010	3.6
109.36256	3.4
110.04900	3.0
137.02428	3.6
151.00372	2.9
154.85388	2.7
199.03999	4.2
214.09340	3.1
243.03012	5.4
268.81354	3.1
271.02512	40.2
299.02014	100.0
300.02377	6.9
455.31100	4.6
455.63065	3.1
456.31827	4.1
469.29889	4.8
470.29764	3.2
471.31253	17.8
499.31476	18.5
500.31070	9.1
501.32785	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	500.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	0.6
57.95645	0.5
58.00587	0.4
59.01384	2.5
61.98835	100.0
70.98203	0.5
71.01413	2.3
71.05029	1.0
72.99323	0.6
73.02947	1.6
85.02966	0.9
85.06570	0.5
89.02472	1.6
95.05042	0.4
97.06608	1.1
98.04088	0.4
101.02465	0.6
108.91871	0.4
109.06640	0.5
111.00906	1.4
113.02496	1.2
119.03529	0.7
125.02481	0.5
216.59340	0.5
232.87804	0.5
355.26324	0.6
357.26779	1.1
403.53683	0.5
408.81631	0.6
437.30743	0.9
439.27539	0.7
439.32724	0.8
454.30969	0.7
455.32092	1.0
456.32355	1.1
457.29327	0.6
457.34329	0.8
483.31299	2.7
499.30945	0.9
500.31180	9.4
501.32697	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56662	25.4
59.61559	24.3
61.14606	27.8
69.12867	100.0
69.13271	60.9
85.37370	23.6
89.85108	23.1
121.90250	27.6
168.73982	27.7
168.95287	27.9
252.69080	29.5
276.78891	23.7
295.51938	25.6
297.36578	29.4
325.84869	26.0
333.76346	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67888	3.7
54.11098	3.9
60.13279	4.0
61.70184	3.9
71.28633	4.5
95.05068	4.6
96.77753	3.6
111.04539	17.2
125.06075	8.1
181.08681	24.9
182.08986	7.1
183.06592	5.8
193.08745	5.4
195.06519	4.0
205.12350	5.9
207.06775	4.2
207.13959	18.0
208.14220	8.5
209.08199	11.4
210.08549	5.7
223.06149	5.1
223.09836	8.8
250.15410	5.0
263.09393	7.1
263.12943	15.5
264.13226	9.0
265.10852	12.5
265.14401	23.9
277.10834	3.8
277.14435	10.4
278.11154	4.3
457.22409	23.3
457.36880	100.0
458.37402	12.5
500.24289	8.4
500.30698	38.9
501.21399	13.1
501.28632	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	500.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13238	8.0
59.01368	7.4
64.49283	5.9
69.59724	28.1
71.97833	6.1
78.34647	5.8
91.01682	6.8
96.02642	5.7
107.66313	5.8
115.93690	6.0
251.25298	5.9
440.32834	7.0
500.34705	100.0
501.35397	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	500.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99221	55.4
64.35720	53.0
71.30274	49.4
77.04563	60.7
81.40362	52.6
88.13273	54.6
103.07365	53.2
127.84064	61.7
145.41576	60.8
196.17752	56.7
263.69559	55.9
355.32288	90.5
500.34595	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	500.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87880	29.9
59.01380	51.6
64.31387	34.2
67.01842	33.6
70.52373	34.9
78.70349	30.4
98.22600	88.4
105.17112	37.3
109.93504	33.6
118.82845	32.2
123.47929	44.5
161.52448	38.7
237.69992	43.9
307.25513	32.9
313.25290	36.0
469.15530	35.4
500.34842	100.0
501.35529	46.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.0265
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	73.7
68.98079	2.8
68.98503	2.0
72.99302	0.7
75.99400	0.5
90.97121	0.8
99.96555	0.6
118.96606	0.8
132.98166	1.1
157.03580	3.3
159.01524	0.9
174.99257	19.6
201.02568	31.5
202.02747	2.3
217.00307	100.0
218.00682	1.7
227.17398	0.7
250.95291	0.6
292.96393	1.1
343.03717	2.1
359.01483	54.4
360.01636	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	501.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11020	1.0
57.03470	1.7
59.01396	1.4
65.00328	1.0
67.01906	1.0
69.03454	3.4
71.01385	3.3
71.28939	1.4
79.01923	1.9
79.95744	9.3
81.95329	2.7
85.02969	1.0
93.03487	1.0
93.47035	0.9
95.01395	21.5
96.96032	7.6
97.02972	2.8
107.01389	1.3
108.02182	23.0
109.02985	13.0
111.00912	4.2
113.02483	1.1
121.02972	1.6
123.00904	30.5
123.04527	1.6
124.01697	1.5
125.02461	12.9
126.02866	1.6
135.00932	1.3
135.04553	1.1
137.02454	4.2
139.00388	14.8
139.04053	1.9
141.01926	1.9
144.16510	1.0
149.02458	2.8
151.00349	1.8
151.04025	5.3
152.01173	26.4
153.01991	7.6
159.04510	1.6
161.02449	2.0
163.04007	1.4
165.01935	3.9
166.99875	19.4
167.03503	1.1
168.00633	1.9
169.01459	7.6
169.02762	1.5
175.03966	2.3
177.01917	2.2
187.04019	2.6
193.01433	3.5
198.00818	3.3
203.03455	2.2
203.71057	1.1
211.02509	1.4
213.01949	2.0
217.04991	1.2
237.98692	5.5
238.98729	1.2
243.02878	1.0
252.95853	1.4
257.00885	1.6
259.02527	4.1
269.04593	1.6
289.07117	1.5
298.04709	1.3
300.99991	1.8
311.04367	1.0
311.06052	0.8
313.05615	1.9
315.07416	2.4
419.00702	4.0
421.00677	5.9
421.07782	16.7
422.08237	1.7
439.08774	4.5
465.06741	100.0
466.07166	6.7
500.96149	3.3
501.11917	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	501.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.7
57.03426	0.8
59.01382	4.9
61.90703	0.5
61.98801	0.6
69.13476	0.6
69.21052	4.3
71.01390	3.4
72.99300	1.2
73.02916	1.0
79.01928	0.8
79.95722	1.2
81.03439	0.8
81.95303	0.7
85.02976	1.4
87.00877	0.6
89.02436	1.7
93.03421	0.7
95.01392	1.7
96.96022	2.9
97.02959	1.0
98.22539	1.3
98.95585	1.9
99.00919	0.6
101.02439	2.0
107.01404	4.4
109.02978	1.2
111.00885	1.6
113.02447	1.9
123.00900	9.8
123.04539	0.6
124.01675	1.3
125.02456	28.9
127.00343	0.6
136.98735	0.9
137.02412	1.4
139.00372	3.1
139.04001	1.0
140.01135	2.6
141.01930	0.7
143.05374	0.8
151.00359	6.7
161.02451	0.7
167.03471	1.0
168.00652	6.1
169.01434	36.2
170.01683	1.1
183.19664	0.5
209.04646	0.6
211.02489	15.9
215.03693	0.6
223.02441	0.8
240.93495	0.8
271.04623	14.0
291.32880	0.6
313.05753	4.4
387.16653	1.6
429.12836	0.6
457.11658	0.9
501.10803	100.0
502.11099	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	501.1269
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65857	2.0
59.01375	7.8
60.92882	1.8
69.01645	6.7
69.02071	9.3
71.01386	5.7
72.90789	2.3
74.73962	2.0
78.44061	1.9
78.95908	27.1
79.95745	3.0
89.02450	3.2
95.01410	2.3
96.96025	100.0
96.96976	42.9
99.00826	2.6
108.02159	2.3
109.02962	6.1
111.00890	2.6
113.92635	2.6
115.82175	1.9
119.03488	3.6
120.72396	2.1
123.00875	2.9
123.04521	2.3
125.02461	9.6
126.39391	2.4
138.15833	2.0
151.00395	4.8
153.01913	5.5
154.02353	2.7
169.01402	10.5
174.03221	2.5
179.10780	3.7
185.01329	4.0
211.06409	2.7
223.09770	9.0
237.04393	12.3
253.07582	9.4
279.05518	5.2
297.06537	12.9
321.06589	4.4
349.05701	7.5
403.16266	4.8
413.16382	19.2
441.10794	53.6
442.11066	5.0
501.11737	3.3
501.19162	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	501.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01901	2.6
55.68484	2.4
57.01861	2.3
59.01381	6.6
61.19943	2.2
67.01898	5.7
71.01407	5.2
71.29094	2.2
73.02966	5.8
83.01386	4.0
85.02937	3.2
85.06549	2.2
95.05013	3.4
97.06606	3.7
99.00891	35.7
109.02972	4.7
111.00897	100.0
113.02427	2.6
117.02058	2.1
121.02945	6.6
123.04546	3.1
125.02489	3.3
127.03986	2.4
134.03755	3.9
134.70277	2.8
135.04547	4.7
137.02437	9.6
141.05579	10.9
154.99841	11.8
165.87718	2.6
169.01382	3.5
190.06390	2.3
203.99481	2.4
243.06369	2.9
245.54762	2.3
255.06731	4.4
256.07483	5.9
271.09775	13.7
297.07462	3.8
311.09216	4.3
312.10150	7.1
321.11279	3.7
324.10220	3.5
327.12399	28.5
336.13757	4.0
339.12341	18.7
351.08502	3.4
351.16034	24.4
352.16058	2.9
354.86621	2.6
377.13309	2.9
392.79871	3.4
395.14944	7.2
430.66599	2.5
439.13995	71.7
440.14087	5.3
455.31943	3.9
457.33588	4.0
483.12991	36.5
501.14218	13.8
501.20001	2.9
501.32666	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	501.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.0
71.01370	1.5
71.28258	0.7
75.86163	0.6
78.55649	0.7
79.95744	100.0
80.96526	2.3
85.02905	0.7
87.00963	0.6
96.96030	1.3
97.02966	0.9
101.02444	0.8
113.02470	0.8
123.00910	0.7
125.02473	1.9
151.04034	2.4
153.05585	2.0
164.04871	1.3
169.01466	1.6
174.84035	0.7
178.06393	1.8
179.03435	0.7
179.07178	1.2
181.05089	72.8
182.05415	3.3
191.07216	1.0
192.07574	0.7
193.08772	1.4
196.07423	75.4
197.07849	3.0
211.02512	1.0
211.09776	68.8
212.10117	3.4
229.87662	0.6
259.02744	1.7
271.04672	2.1
271.42746	0.6
273.04425	5.1
279.70193	0.7
299.99023	0.8
309.12378	0.7
397.89728	0.7
421.18573	1.3
429.13657	0.8
483.18396	0.8
501.14343	85.1
502.14685	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	501.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00582	0.6
59.01384	12.3
69.36662	2.5
71.01376	2.7
72.99317	0.9
76.05563	0.4
87.00866	0.6
89.02448	2.0
95.01337	0.4
96.96019	4.7
101.02458	1.3
109.02953	0.9
123.00916	0.6
125.02425	2.0
137.02419	0.5
139.00380	0.5
163.08757	1.2
167.00119	0.4
167.03487	0.5
169.01434	1.2
172.38737	0.4
176.05910	8.1
177.06703	14.7
178.07063	0.6
189.06653	0.4
191.08269	25.9
192.08528	1.3
203.08313	2.0
205.06181	35.8
206.06480	1.0
219.07753	42.0
220.08093	1.8
245.09328	1.6
271.04419	0.8
289.07248	0.7
311.12521	0.8
321.10837	2.8
339.11975	100.0
340.12280	5.8
465.06863	1.2
501.17517	10.1
502.17523	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.7
58.00585	0.7
59.01378	2.7
60.99284	0.4
67.05529	0.3
69.03443	0.5
69.14036	2.6
71.01350	1.1
71.05032	2.5
73.02917	1.5
77.57979	0.4
79.50995	0.3
83.05019	0.8
83.65598	0.4
85.02922	1.2
85.06603	3.0
87.04495	1.6
87.28648	0.4
95.01379	0.4
95.05017	1.1
97.06578	1.1
99.04527	1.8
101.02435	0.4
107.05017	0.4
109.02979	3.0
111.04512	3.2
111.08130	0.4
113.02393	0.6
113.06072	0.6
119.03449	0.5
123.04484	1.6
123.08141	0.9
125.02456	0.6
125.06053	0.4
127.04034	4.9
135.08136	0.7
137.02379	0.4
137.06087	0.6
139.07675	0.6
149.09688	0.4
151.03976	1.7
151.07605	1.3
151.11293	0.4
152.04768	1.7
153.09187	1.1
155.07188	0.7
169.41104	0.3
177.01895	0.4
177.09198	1.5
178.02721	1.2
178.93211	0.3
179.05696	0.6
179.07150	5.6
180.07956	2.1
181.05157	0.6
183.06633	7.3
193.08640	3.5
195.06631	0.7
195.10210	2.1
197.08179	3.0
203.07083	0.9
205.04979	0.8
213.27089	0.3
221.08200	28.0
222.08463	1.0
224.06940	3.2
233.37680	0.4
239.09261	100.0
240.09618	4.4
341.24734	0.5
357.26440	1.3
367.26584	0.4
375.26926	1.7
377.28668	0.4
381.28018	0.5
385.23795	1.8
389.24533	0.5
391.26190	0.5
391.30530	0.5
393.28333	0.8
405.27966	1.2
407.29578	5.0
408.29861	0.7
409.31183	3.0
419.29733	0.6
425.61920	0.3
437.30588	1.4
438.30881	0.4
439.32462	2.6
453.30048	0.5
455.31830	0.8
457.33957	2.2
458.33292	0.4
471.31393	1.8
483.31348	6.8
484.31573	0.7
500.30963	0.5
501.17490	6.3
501.32379	58.8
502.17889	0.5
502.32764	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	501.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	2.2
57.67635	0.9
59.01380	2.7
61.12644	1.0
65.84125	1.1
68.99829	1.5
69.03426	1.2
70.11782	3.0
71.01411	1.2
71.05019	2.2
72.41341	1.1
73.02953	5.5
74.22327	0.9
79.01881	1.2
79.05553	1.1
82.77308	0.9
83.05041	2.0
85.02962	4.4
85.06580	2.0
87.04543	3.5
87.42876	1.3
93.03480	1.8
95.05032	8.0
97.02964	3.8
97.06645	1.4
99.00891	1.3
99.08186	1.1
107.05037	3.0
108.02190	2.1
109.02967	4.1
109.06624	4.2
111.04530	36.7
113.02457	1.9
113.06089	2.2
113.09766	1.6
121.06639	1.6
122.03783	2.9
123.00886	1.0
123.04527	8.5
123.08179	6.0
125.02457	3.3
125.06079	6.2
125.09716	6.1
129.21101	1.0
133.52197	0.9
135.04549	6.5
135.08162	1.6
137.06071	1.3
139.04028	9.4
139.07681	1.0
141.05588	2.1
147.04533	1.1
149.02426	1.3
149.09763	1.6
150.06897	1.5
151.04027	6.7
151.07599	1.0
155.07129	1.3
161.13380	4.3
163.04056	4.0
163.07657	2.6
163.11032	1.1
165.05547	2.3
165.09204	26.4
167.03540	3.1
167.07156	1.8
169.05083	17.9
177.05611	1.3
177.09261	3.2
179.03500	5.5
179.07108	5.4
179.10791	2.3
181.05020	1.6
181.08739	15.8
183.06664	7.0
187.09764	2.2
187.11336	1.9
189.09254	1.6
191.03427	1.5
191.07191	3.0
193.08708	6.5
195.06644	8.3
195.10251	1.7
197.08275	2.8
198.31445	1.1
203.07162	3.0
205.08711	2.1
205.12302	7.3
207.06680	3.2
207.10313	1.6
209.08203	100.0
210.08597	5.6
217.08739	2.7
219.06654	2.1
219.10307	1.5
221.08195	34.1
221.15494	1.5
222.08598	2.6
223.06206	7.4
223.09796	6.3
223.13374	5.3
225.07672	7.5
233.08214	4.5
233.15411	1.7
235.09795	4.7
237.07759	5.0
239.09291	3.0
243.10222	1.3
244.49068	1.0
247.09802	2.5
248.06802	2.9
249.07823	1.7
249.11336	1.5
251.05782	1.9
251.09236	4.3
261.07642	10.3
263.09299	4.9
263.12888	3.5
265.07169	4.8
265.10889	4.2
265.14328	1.0
273.07520	1.6
277.14435	11.7
278.14868	1.7
279.08771	29.7
280.09152	2.0
291.08759	28.4
291.12073	1.6
291.15680	1.5
292.09116	2.3
305.14053	1.2
319.12021	4.9
327.12366	1.5
331.11871	2.9
331.24948	1.9
345.13455	13.1
345.17151	2.3
397.31161	1.8
409.30896	1.6
413.23349	3.1
439.32162	4.6
455.17542	1.7
457.22284	3.3
457.33615	7.3
483.16122	1.9
483.20990	1.3
483.31277	3.5
501.17087	7.7
501.21063	10.1
501.32257	42.2
502.32376	4.0
520.20483	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81878	3.1
57.03437	5.1
59.01385	100.0
60.56334	2.9
60.76941	2.7
66.99829	2.8
69.03458	8.2
71.01391	63.6
71.28822	3.7
72.14368	2.7
72.99306	8.1
73.02950	26.4
79.95741	33.8
81.03464	9.1
83.01386	7.2
85.02953	24.5
87.00903	3.9
89.02458	30.1
96.96008	9.7
97.02945	10.3
101.02451	45.0
103.04026	34.5
109.02943	15.9
113.02446	3.5
119.03514	17.0
125.02454	58.6
133.06599	38.1
135.04550	3.2
135.38380	2.8
137.02448	9.4
143.03491	4.9
145.05031	3.3
159.04515	4.4
161.02434	3.4
163.06158	38.7
167.00067	3.5
169.01421	9.9
177.05611	18.7
181.05051	22.7
196.07379	23.6
196.99199	2.9
197.06200	3.5
211.04039	8.2
211.09821	16.1
217.03023	3.2
230.54950	2.7
235.07654	2.9
239.03484	4.0
241.05060	3.9
243.06458	4.2
245.04460	5.3
247.08128	9.2
253.05083	4.6
257.04547	10.4
265.04993	4.1
269.04715	3.3
281.04398	16.0
299.99069	11.6
300.99857	7.2
307.10339	29.2
369.83688	3.4
391.08163	7.3
455.99323	3.5
483.10406	3.6
501.12573	41.8
502.13809	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	501.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00592	5.8
59.01382	100.0
61.98813	4.9
62.44861	3.8
65.79569	3.6
69.03457	7.2
71.01386	65.6
72.99283	9.2
73.02950	26.1
79.95740	42.5
81.03440	6.5
83.01376	6.3
85.02970	21.7
87.00900	4.9
89.02001	5.0
89.02456	41.6
95.01428	4.4
97.02946	14.8
98.80611	4.5
99.00855	4.9
101.02449	48.0
103.04031	39.0
109.02965	32.0
113.02438	4.9
115.03845	5.0
119.03499	16.8
121.14658	4.1
123.00881	6.1
125.02467	59.6
133.06601	45.4
137.02434	16.1
143.03429	5.4
145.05038	10.7
151.03996	6.9
161.02443	4.1
163.06129	43.0
167.03523	4.1
169.01431	9.0
177.05573	30.0
181.05080	22.3
183.04552	4.2
196.07419	26.1
211.04059	9.5
211.09819	23.2
225.05579	8.4
239.03510	5.7
241.05002	7.7
247.08124	10.8
253.05144	8.6
257.04507	12.9
265.05161	9.3
266.05817	5.7
281.04529	36.5
299.99008	14.5
300.99838	8.2
307.10352	36.7
339.10938	6.4
375.08640	6.1
391.08054	14.4
401.07187	4.6
477.77386	5.5
483.10574	4.6
485.44205	4.5
501.03262	8.5
501.12640	64.8
502.12231	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	501.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60780	0.4
57.03444	1.5
57.90877	0.4
58.00584	1.2
59.01391	2.9
61.04764	0.4
69.03451	1.2
70.10149	0.4
70.10492	1.4
71.01390	0.8
71.05024	1.6
72.99320	0.4
73.02967	0.7
75.00851	0.5
75.99273	0.4
77.03960	0.6
79.01910	0.4
79.45140	0.5
83.01389	0.7
83.05021	1.0
85.02969	6.0
85.06613	1.7
87.04505	1.0
95.01398	2.0
95.05026	4.4
97.02969	1.0
97.06585	2.4
109.02961	1.8
109.06590	1.0
111.04548	7.5
113.02462	5.1
113.06097	1.7
113.36575	0.4
121.02959	0.7
121.06580	0.7
121.23565	0.5
122.03744	0.6
123.08178	1.4
125.02425	0.5
125.06118	2.3
125.09747	3.8
135.08179	0.7
136.05270	0.5
137.02454	0.7
137.09750	1.3
138.03238	1.0
139.04034	4.7
139.07637	0.8
151.07634	0.9
153.09238	0.9
155.07164	1.9
159.10208	0.7
163.07642	1.3
165.01871	1.1
165.05597	1.7
165.09215	3.4
166.06384	0.6
169.08685	0.6
173.11919	0.4
179.07181	1.9
179.10771	7.7
180.07617	0.5
181.05321	0.6
181.07274	0.5
181.08699	2.9
183.06639	21.1
184.07159	0.4
187.09738	1.4
189.12871	1.7
191.14502	0.5
193.08687	3.0
195.06606	1.5
197.08209	1.9
205.08798	0.6
207.06645	5.4
209.08199	14.6
210.08582	0.7
217.12392	0.7
221.08226	0.7
221.15601	0.5
223.09773	33.4
224.10158	1.4
225.07698	28.9
226.08063	1.1
237.07697	2.0
239.09206	2.3
247.13589	0.6
248.06860	0.8
261.11450	0.5
263.12897	6.7
265.07144	1.9
271.44803	0.5
275.12924	0.5
277.11078	1.0
277.14465	3.1
305.13913	0.7
331.11841	5.8
331.24936	2.2
345.13461	3.1
357.13623	0.4
371.14908	1.3
381.28479	0.5
387.30792	0.9
389.28714	4.2
393.31516	0.5
405.31799	0.9
406.28687	5.3
407.29401	2.0
409.31143	0.7
413.27069	0.7
421.31351	4.5
423.18231	1.4
423.32858	10.2
424.32932	0.9
437.30508	0.9
439.32715	3.7
441.19257	1.4
455.31711	1.7
457.22318	1.7
457.33368	11.5
458.33603	0.7
469.33261	100.0
470.33591	9.9
473.35095	2.3
483.20349	7.9
483.31107	2.0
484.20135	0.8
501.21112	6.4
501.32285	52.2
502.21216	0.8
502.32574	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	501.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	1.1
57.03447	2.7
59.01372	1.1
69.25230	5.5
71.05002	4.1
73.65046	0.9
79.01880	1.6
81.03423	1.1
83.05008	1.1
85.02960	9.4
85.06601	2.1
87.04513	1.1
94.23857	0.8
95.05037	3.7
97.02966	2.8
97.67675	0.8
98.21809	0.8
100.50590	1.1
109.02930	1.6
109.06610	3.0
111.04520	12.7
111.08187	1.2
113.09727	9.4
123.08167	3.6
125.02483	1.3
125.06072	6.1
125.09741	0.9
127.07592	1.0
136.47023	0.8
137.02473	1.0
139.04021	46.7
140.04356	1.2
149.09727	3.0
151.07649	2.6
153.05469	1.0
155.07060	1.4
163.11305	1.9
165.09213	6.9
169.08673	2.7
175.07722	1.1
177.05606	0.9
179.07144	1.8
179.10788	2.3
181.08707	10.4
183.06693	2.0
191.07106	1.5
191.10809	1.3
193.05098	0.9
193.08696	14.1
195.06714	4.3
197.08211	2.1
205.05017	1.7
207.06627	2.4
207.10234	6.1
209.08188	31.8
210.08521	1.4
210.77599	0.8
211.09746	17.9
217.12358	8.3
219.06639	1.7
219.13954	7.1
221.08173	1.7
223.06059	1.9
225.07715	3.1
233.08250	2.9
237.07640	4.8
243.14087	0.9
245.11894	3.1
246.05324	0.8
247.09775	1.3
247.13443	0.9
248.06937	3.2
251.09236	13.6
259.06192	0.9
259.09683	1.0
261.14984	8.8
263.12885	100.0
264.13297	6.2
265.10815	17.5
265.13528	0.5
266.11121	1.1
275.09250	8.6
277.14474	3.0
285.11298	1.2
289.10840	10.9
290.11600	12.9
291.12283	2.8
303.12448	5.7
319.15555	1.3
319.19080	2.1
321.17401	1.1
331.11877	8.4
343.19196	2.2
345.13660	1.0
385.20126	6.1
425.34171	2.5
457.22449	7.0
473.21936	1.2
483.20486	1.5
501.20752	25.8
501.32635	1.7
502.21210	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2136
Annotation	Verrucarin A
Peak:m/z	Relative Intensity
55.01884	2.2
57.03462	2.8
59.01377	2.9
60.36817	1.0
61.98835	3.9
64.94432	1.1
65.03963	1.3
68.80850	0.9
69.03460	1.9
69.08968	3.9
69.09518	2.1
69.37971	1.0
69.84757	1.4
69.85076	2.7
69.85412	1.9
79.01905	1.5
81.03457	1.6
83.05028	1.4
84.73184	1.2
85.02963	7.0
85.06585	4.6
87.04536	7.4
93.03474	1.2
95.01405	2.5
95.05038	7.4
97.02962	2.0
98.71391	1.1
107.05038	3.9
109.02953	23.5
109.06602	2.3
111.00903	1.4
111.04529	77.1
112.04897	1.9
113.02448	9.3
113.06078	2.2
113.09743	2.3
116.58842	1.0
121.06591	1.0
122.03746	6.7
123.04530	3.9
123.08182	2.5
125.02476	3.5
125.06101	2.9
127.04002	2.4
127.07668	2.1
133.02956	2.8
135.08162	6.4
137.09731	6.6
138.03265	3.3
139.04007	4.0
139.07689	1.2
149.09706	6.8
150.06772	1.3
151.04007	5.1
151.11317	1.3
153.09348	1.2
163.07654	6.5
165.05551	3.2
165.09198	6.0
167.03606	1.4
175.07568	1.8
177.05557	3.4
177.09210	10.9
179.07126	5.8
179.10786	2.3
181.08719	63.9
182.09026	2.6
183.06621	23.7
191.03616	1.2
191.07121	3.6
193.08711	15.2
194.05814	2.1
195.03006	1.9
195.06627	29.5
195.10269	6.4
197.08159	7.0
199.11255	1.9
206.05946	1.6
207.06644	6.8
209.08203	21.1
210.05341	8.5
210.08362	1.7
219.10388	1.5
219.13803	1.3
221.08206	50.4
222.05356	3.2
222.08528	1.8
223.09828	2.1
225.07690	25.5
226.08089	1.6
235.13431	1.6
237.07675	38.2
237.11295	2.5
238.07993	1.4
239.09238	7.2
243.10335	6.8
247.06076	1.7
249.11797	0.9
249.15042	3.4
258.12662	4.0
263.12811	5.5
265.07193	100.0
265.10794	27.4
266.07571	4.5
266.11188	2.0
271.13394	8.6
275.09293	1.1
275.12787	2.6
277.14481	4.7
283.85516	1.2
286.15775	11.1
301.18106	50.7
302.11371	1.8
302.18454	3.9
321.17090	4.3
331.11536	1.3
341.17645	1.8
343.19324	1.2
345.17059	8.3
353.14105	1.9
355.15582	1.9
369.17252	1.4
413.23471	4.9
439.21487	1.4
439.32239	3.5
455.35489	3.7
457.22327	9.4
457.29544	5.1
458.22424	1.4
469.32654	1.8
483.20306	4.9
483.31085	1.4
501.21307	83.5
501.32404	26.7
502.21756	10.0
502.32730	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	501.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36952	1.0
60.65789	0.8
69.96029	0.9
71.01418	0.9
71.05027	1.1
71.28186	1.2
73.02938	1.3
79.01898	2.1
83.05022	1.2
85.02956	3.0
85.06604	1.3
95.05035	5.7
97.02973	2.8
109.06609	2.7
111.04546	9.0
111.05286	1.3
113.02444	2.2
113.06103	1.1
115.26991	0.9
121.02970	1.3
123.08183	4.1
125.06123	2.0
139.04051	12.4
141.09253	1.0
147.08112	1.1
149.11739	1.0
150.03236	1.2
150.06848	1.1
151.07574	1.4
152.99521	1.2
155.02612	0.8
163.07603	1.6
165.01987	1.4
165.09218	28.1
166.09615	1.7
177.01953	3.6
177.09106	1.0
177.14333	0.9
178.02820	1.2
179.07137	3.7
181.08691	2.4
183.06657	6.3
191.07147	2.3
192.07928	2.6
193.08727	2.0
195.06638	5.7
197.08167	1.6
205.01427	1.9
205.05092	2.8
206.02238	1.7
207.06628	6.5
209.08197	100.0
210.08537	4.3
219.06644	2.4
220.07411	2.3
221.08218	3.9
225.07678	2.5
230.05846	3.1
233.04613	2.2
239.09373	1.5
247.13489	1.2
248.06911	83.8
249.07278	3.6
251.09328	2.2
263.12906	3.9
265.10834	7.9
291.12390	88.8
292.12665	7.6
314.08411	0.9
317.14102	1.4
319.15460	1.6
321.17084	5.4
345.16556	1.2
457.29697	4.4
469.33212	1.1
473.36560	1.1
483.20270	1.7
501.20413	5.0
501.32880	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	501.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90614	1.1
55.01867	1.9
57.03447	1.7
59.01385	11.2
62.43649	1.1
69.14851	9.0
71.01383	15.4
72.95544	1.0
73.02949	4.6
73.52169	1.0
83.01393	1.8
85.02959	6.2
87.00862	1.8
89.02460	4.0
95.01388	2.9
99.00907	1.3
101.02447	10.7
107.01392	2.9
108.02171	1.5
109.02971	1.4
111.00916	2.4
113.02448	3.8
123.00881	12.5
123.04468	1.2
124.01695	1.8
125.02454	14.3
139.00381	4.3
140.01154	3.3
151.00366	8.8
161.04527	2.8
168.00648	5.0
169.01456	20.3
181.05101	1.3
211.02501	6.2
271.04593	5.0
279.14529	4.1
283.01505	1.4
300.99960	1.6
360.52042	1.2
381.14548	1.4
441.19788	11.9
501.19830	100.0
502.19949	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	501.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00599	6.5
59.01385	95.1
62.73179	1.8
69.01880	17.1
69.02268	3.8
69.03455	5.3
71.01389	66.2
72.99323	3.7
73.02950	23.8
83.01405	2.6
85.02953	10.9
87.00906	2.1
87.31663	2.1
89.02451	100.0
93.07156	2.2
94.57523	2.0
97.02962	2.8
98.21782	3.3
99.00890	28.8
99.01465	2.2
101.02453	44.0
105.07419	1.9
109.06615	3.5
111.08174	3.2
113.02469	9.4
116.62652	1.7
117.88761	2.1
119.03537	4.5
123.00867	2.0
125.02508	4.2
125.06067	2.9
127.07667	13.8
131.03516	16.0
135.55106	1.7
137.06136	9.1
139.11285	9.2
140.44955	1.7
149.04573	62.1
149.05693	3.7
152.08429	2.4
155.07141	13.6
161.04584	3.1
165.09206	2.3
173.08263	8.1
177.01897	3.1
179.10948	2.7
183.10297	21.7
191.05640	12.2
197.11812	13.5
206.94489	2.1
225.11356	25.6
241.58571	2.1
257.94052	2.0
265.07242	2.9
295.10269	2.8
317.12543	6.6
335.13541	21.5
370.09283	2.3
501.23734	82.5
502.24066	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71736	0.7
54.75566	0.8
57.03432	1.0
68.33987	0.7
75.56167	0.7
81.11853	0.7
83.05009	0.8
85.02924	1.8
85.06586	1.5
87.04510	2.2
89.76712	0.9
95.04981	1.1
109.03001	1.0
109.06586	12.3
111.04519	15.0
113.09736	5.3
125.02437	1.3
125.21259	0.8
127.07668	1.2
135.08173	1.3
137.09692	1.1
138.03229	1.8
139.04015	10.0
153.05582	18.7
163.07623	1.0
163.11311	1.3
164.08405	3.0
179.07127	1.1
179.10773	11.1
181.08713	33.1
182.09027	1.2
183.06642	2.3
195.06635	4.6
197.12047	0.8
207.06665	1.7
207.10304	3.9
208.07416	1.0
209.08173	1.0
221.11844	1.6
223.09755	3.2
225.07758	2.2
233.15520	1.2
251.09212	3.7
258.15152	0.9
265.10809	100.0
266.11166	5.1
293.13947	0.9
319.15555	10.0
321.16690	1.0
373.93417	0.8
407.15100	1.4
425.16153	3.2
443.17020	2.9
483.20486	0.7
501.20267	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	501.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.7
57.03432	2.1
63.44345	0.6
64.31639	0.6
66.37342	0.6
71.05025	9.3
71.28362	1.3
83.01389	1.7
85.02952	4.2
87.04523	1.1
93.19001	0.7
95.01409	3.8
95.05042	3.0
97.02963	5.4
97.06587	0.9
109.02952	0.8
109.06580	2.0
111.00847	0.7
111.04537	11.2
113.06113	1.0
113.09737	9.5
123.08176	1.4
124.01656	1.1
125.02432	1.3
125.06094	3.2
135.04532	0.7
137.09717	1.1
138.03230	1.2
139.04024	87.9
140.04335	2.3
151.07690	1.9
152.01157	2.6
155.07118	2.5
163.03946	1.3
165.01857	0.7
165.05573	5.3
165.09200	1.3
166.06329	1.7
168.00656	1.2
177.12930	0.7
179.07126	1.8
179.10797	2.2
180.00781	0.7
181.08719	51.7
182.08974	1.6
183.06593	2.4
193.05019	2.1
193.08714	6.6
194.05846	5.3
195.06635	5.0
197.08186	7.3
206.02049	0.8
207.06682	1.8
207.10243	7.5
209.04688	1.2
209.08185	9.8
210.05350	16.0
210.08463	0.8
219.06667	0.8
219.10257	0.8
221.08195	2.7
222.05354	8.9
223.06046	3.1
223.09740	10.6
224.10123	1.0
225.07651	2.4
233.08194	0.9
233.15337	0.9
235.13409	1.0
237.07692	1.0
237.11359	2.9
239.09212	0.7
247.09697	1.4
248.06891	0.9
251.09280	24.2
252.09775	1.1
262.08386	0.8
263.12857	4.9
265.10809	100.0
266.11139	4.6
277.14429	9.0
279.12390	1.0
289.10919	2.6
291.12283	1.2
303.12329	1.8
304.13116	2.4
305.13904	0.8
308.65668	0.9
317.13950	2.6
319.15549	4.2
331.11743	0.8
343.18930	0.8
345.13483	5.4
375.18015	1.0
389.19620	1.9
483.19986	1.0
501.25967	20.2
502.25217	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	501.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97873	0.4
62.75139	0.5
64.11438	0.3
68.99023	3.6
68.99835	0.5
72.26494	0.4
87.04516	0.7
87.55051	0.5
95.01420	2.7
95.05042	0.6
105.07096	0.5
107.05059	0.5
109.06609	0.8
111.04546	2.5
113.09745	3.7
121.06580	1.2
123.00913	1.0
124.01662	1.4
125.06102	0.6
137.02454	0.5
137.06088	0.7
149.06091	2.1
150.03191	0.4
151.00429	0.6
151.03905	0.4
152.01160	4.3
165.05580	5.9
166.99886	0.5
168.00609	1.1
177.05547	0.5
178.02669	0.5
178.99855	0.9
179.10701	0.4
181.08719	25.0
182.09030	1.1
193.05086	5.0
194.05836	5.1
195.06619	3.5
196.06953	0.5
207.02916	0.9
209.04674	0.6
209.08237	2.1
210.03349	0.9
210.05338	14.8
211.05772	0.5
219.10246	1.2
221.04533	0.5
221.11844	0.4
222.05315	7.1
223.05655	0.7
223.09743	1.2
237.11360	3.6
247.09807	2.2
265.10812	100.0
266.11084	4.6
277.14441	0.5
292.63367	0.5
319.15500	6.9
320.15790	0.5
501.24979	20.7
502.25287	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	501.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.9
56.87040	0.5
57.03444	1.2
67.81303	0.5
69.15855	0.6
71.05028	1.3
71.08370	0.6
71.08702	0.6
83.05029	7.3
85.02959	8.6
87.04519	1.5
95.05042	0.7
95.06747	0.8
97.02937	1.0
109.06586	1.6
111.04514	3.0
113.02497	0.6
113.09734	1.3
125.02461	1.7
125.06122	1.0
137.09750	1.0
139.04025	11.9
139.07744	0.7
153.05571	1.6
163.07660	0.5
163.11411	0.6
165.09233	0.7
179.07164	4.7
179.10915	0.6
180.07939	0.6
181.08723	9.8
182.09229	0.6
183.06625	2.8
189.12885	0.6
191.03651	0.6
191.07172	0.6
191.14333	1.0
195.06587	1.2
197.08168	0.9
206.05858	9.7
207.06587	1.8
207.10278	2.1
207.13884	5.7
209.08197	3.3
219.10254	2.0
221.08217	10.7
221.11682	3.9
221.15472	1.0
223.06139	1.0
223.09776	2.4
224.78378	0.6
225.03964	0.5
225.07709	5.5
226.08466	0.9
233.08218	0.7
233.11833	1.6
234.12579	1.4
235.09741	1.9
235.13393	3.8
237.11334	0.8
239.09334	1.2
247.13425	2.8
248.06931	0.9
249.15012	3.5
250.12061	1.8
251.09229	5.8
263.09302	1.6
265.10849	5.1
265.14468	1.3
266.11084	0.7
275.12891	3.1
275.16095	0.8
277.10818	0.7
277.14462	1.6
277.18057	4.6
278.11627	2.2
290.24353	0.5
291.12320	0.9
293.13974	0.8
293.17618	1.7
303.15958	1.0
319.15573	1.3
319.19147	1.9
321.17087	100.0
322.17422	7.1
344.86032	0.7
398.47379	0.7
411.14578	0.7
437.59253	0.7
441.19235	0.7
457.29614	36.5
458.29877	4.6
501.21463	1.8
501.28311	4.5
501.35837	12.3
502.36273	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	1.0
57.03448	1.0
57.44861	0.8
58.66926	0.7
63.24573	0.7
69.46581	3.1
69.47010	1.3
83.01389	1.1
83.05038	8.5
85.02960	9.0
85.06594	1.6
87.04504	1.8
109.02969	0.9
109.06616	6.1
109.30340	0.7
111.04533	7.8
111.39185	0.8
113.09727	3.6
125.02421	5.3
127.07666	0.8
139.04012	6.5
153.04703	0.7
153.05609	9.0
163.11281	0.9
164.08409	1.0
165.09167	1.5
166.06409	1.1
179.07173	4.2
179.10797	6.2
181.08719	25.0
182.09113	0.8
183.06662	1.7
189.13031	0.9
191.14418	1.0
193.08719	0.9
195.06555	3.7
206.05801	10.1
207.06564	1.4
207.10274	2.4
207.13876	6.3
209.08238	1.5
219.10262	1.5
221.08253	8.6
221.11784	4.1
221.15421	1.0
223.09731	3.1
225.07712	2.7
233.11789	2.3
234.12610	1.9
235.09677	1.8
235.13307	4.1
247.09531	1.0
247.13382	2.2
248.06662	0.9
249.11118	0.9
249.14975	3.5
250.12096	2.3
251.09273	4.9
265.10825	58.7
266.11087	2.9
275.12799	1.7
277.18115	3.8
278.11569	2.6
293.17596	1.4
303.16174	1.6
311.99069	0.8
319.15494	8.4
319.19135	2.6
321.17072	100.0
322.17404	6.4
410.12537	0.8
457.29587	29.5
458.29935	2.5
481.06857	0.8
501.29398	6.5
502.28989	0.9
522.23810	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07993	0.7
57.03435	1.9
59.01382	40.7
80.45486	0.7
83.05018	6.8
85.02957	8.3
87.04517	0.9
111.04525	1.5
113.09751	1.1
125.02470	1.5
139.04019	8.0
179.07126	3.3
179.10812	0.9
181.08742	7.7
183.06625	2.0
191.10934	0.9
193.08801	1.3
195.06598	0.9
201.14195	1.0
206.05899	8.9
207.06584	1.9
207.10231	2.3
207.13895	5.9
209.08244	4.2
219.10278	2.1
221.08234	7.9
221.11838	2.8
223.09738	1.8
225.07704	2.0
233.11765	1.9
234.12589	1.9
235.09816	2.8
235.13409	5.0
247.09634	1.0
247.13326	2.6
249.14948	4.3
250.12177	1.3
251.09212	5.1
263.09265	1.5
263.12967	0.9
265.10825	3.9
265.14294	1.1
275.12753	1.8
277.18097	2.7
278.11664	2.1
293.17630	1.7
303.16058	2.4
319.15527	1.1
319.19211	1.7
321.17081	100.0
322.17383	6.2
344.10895	0.9
457.29599	37.1
458.29956	4.5
501.21439	2.2
501.28430	5.9
501.35858	7.4
502.28891	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
61.30121	0.4
71.05029	7.1
73.02956	1.5
83.05034	0.8
90.43143	0.5
96.71719	0.5
97.06644	0.6
101.51944	0.5
121.06616	0.8
121.49547	0.7
123.08208	2.4
123.09026	0.5
125.06115	0.5
128.07915	0.5
137.09718	1.1
149.06133	1.0
163.04103	0.5
163.11287	0.9
164.08420	0.7
173.09726	10.4
184.13780	0.5
191.85086	0.5
229.93884	0.5
337.21872	1.6
339.23166	0.5
367.26254	0.7
385.27515	4.2
409.27408	6.7
410.27820	0.8
425.30981	0.7
429.26096	0.7
457.33267	11.5
458.33798	1.9
471.31158	60.3
472.31458	6.3
472.37076	0.6
501.32404	100.0
502.32831	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	501.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65246	1.2
59.01381	59.3
59.06643	1.0
61.98841	2.1
70.61902	2.0
73.02943	2.1
83.05012	7.7
85.02949	8.3
87.04515	1.8
95.05136	1.5
111.04530	1.6
113.09724	1.4
113.83981	1.1
125.02448	1.0
139.04021	9.8
165.09187	1.4
165.94986	1.2
179.07152	5.7
181.08713	8.8
183.06665	1.7
191.03561	1.3
191.14474	1.2
206.05858	10.8
207.06601	1.9
207.10336	1.9
207.13844	5.9
209.08229	4.5
219.10297	1.9
221.08255	10.0
221.11858	4.0
225.07585	2.4
233.11804	2.2
234.12617	2.2
235.09789	2.7
235.13434	5.7
247.13417	2.9
249.14978	3.9
250.12074	1.8
251.09315	5.9
263.09470	1.4
263.12689	1.8
265.10834	2.7
265.14471	1.5
275.12985	1.8
277.18005	4.0
278.11609	3.5
293.14224	1.8
293.17596	2.3
303.15924	1.2
308.49445	1.1
319.19183	2.2
321.17065	100.0
322.17365	8.2
457.29608	45.2
458.29907	3.7
501.21268	1.7
501.29395	6.2
501.35754	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	501.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.5
69.62376	1.5
71.01381	0.5
73.02937	1.4
83.05040	0.7
84.73035	0.3
89.02445	0.4
97.06577	0.4
98.29833	0.3
111.04543	0.6
166.56839	0.4
173.08235	0.5
181.05231	0.4
201.13011	0.3
270.98779	0.5
298.98544	0.5
389.28537	0.5
391.30200	0.5
407.29861	0.4
437.30783	0.6
439.32266	1.5
440.32996	0.4
455.31339	0.5
457.33130	1.4
471.31396	0.4
501.32306	100.0
502.32681	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3227
Annotation	Ganolucidic acid B
Peak:m/z	Relative Intensity
56.27746	0.5
59.01377	1.0
66.87286	0.5
69.16917	0.7
69.17316	2.8
98.22591	0.9
125.09726	1.3
183.06528	0.5
209.08096	0.8
228.78394	0.5
283.49759	0.5
379.29898	1.2
380.57559	0.6
395.33200	2.3
407.25989	0.7
413.34482	0.9
421.31464	0.9
423.29102	12.0
424.29459	1.3
439.32162	18.5
440.32526	1.7
455.31378	0.8
457.33279	9.0
458.33588	0.7
483.31448	4.1
501.32285	100.0
502.32547	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	501.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63166	0.4
57.03452	0.9
68.99800	3.6
69.03443	1.0
71.05032	0.8
73.64577	0.4
83.05038	0.9
85.06597	0.6
85.79096	0.4
87.00854	0.6
97.06594	1.6
111.00896	4.9
111.01607	0.7
123.08176	1.5
137.09740	5.3
138.10089	0.4
149.09723	0.4
163.11276	0.5
173.01001	0.5
173.09718	5.6
175.16515	0.4
187.11371	0.5
191.10898	0.5
197.13394	0.5
201.12953	0.6
217.15930	0.5
243.70760	0.5
377.28735	1.4
387.26880	0.4
391.26285	0.6
405.28015	1.2
407.29523	0.6
409.27039	0.8
409.31735	0.9
411.29361	0.5
421.31079	1.3
423.29477	0.5
425.30563	0.6
427.31641	0.6
437.30652	0.6
439.32452	4.0
440.32358	0.7
453.30322	0.7
455.31818	1.1
457.33609	4.6
471.31177	11.8
472.31583	1.5
483.31335	1.3
501.32324	100.0
502.32745	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3227
Annotation	CHEBI:69363
Peak:m/z	Relative Intensity
57.03462	0.5
59.01368	0.5
66.04272	0.4
70.38331	0.4
70.55179	0.9
70.55534	0.9
71.05033	0.5
73.02964	0.6
79.79393	0.4
82.71891	0.4
91.03629	0.5
97.06644	0.6
98.22578	0.5
125.09736	1.7
187.09746	1.2
272.55911	0.4
383.29697	0.5
407.29529	0.7
409.31168	1.0
413.34406	0.6
437.30988	0.5
439.32434	4.0
453.30106	28.7
454.30560	2.7
455.31583	0.8
457.33795	2.7
471.31174	16.1
472.31503	1.5
483.31253	6.3
484.31738	0.7
501.32303	100.0
502.32629	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	501.3227
Annotation	16alpha-hydroxygypsogenic acidid
Peak:m/z	Relative Intensity
51.85273	0.5
57.03442	1.2
57.75459	0.5
59.01371	1.3
60.05083	0.5
67.51243	0.5
69.07044	5.0
71.05028	0.7
81.80926	0.6
85.02927	1.0
95.05042	0.7
97.02915	0.7
97.06597	1.9
111.04509	1.3
119.16049	0.5
123.08128	1.6
125.09721	12.1
126.10091	0.7
139.11287	0.7
165.09164	1.5
181.08806	0.7
187.09720	5.2
189.12889	0.8
197.08180	2.9
209.08226	5.1
225.07642	1.2
237.77957	0.5
239.09250	3.7
263.12912	0.6
313.23804	1.2
331.24991	3.0
377.28500	1.0
413.34177	1.1
423.29080	13.9
424.29572	0.7
439.32175	17.8
440.32477	2.4
455.31506	1.7
457.33267	16.6
458.33517	1.4
469.33206	1.6
483.20264	1.3
483.31082	3.5
501.32336	100.0
502.32602	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	501.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25091	0.7
57.03459	2.3
58.00602	3.1
59.01389	3.3
59.74658	0.7
63.37796	0.7
71.01385	1.5
71.05028	1.2
73.02964	3.1
74.76336	0.7
76.75976	0.7
83.05025	1.1
85.02973	1.7
85.06625	2.6
97.06630	2.4
99.04530	1.0
101.02462	0.9
109.02978	0.9
111.04552	1.9
114.80730	0.8
123.04557	1.2
125.09766	0.9
127.04053	2.2
143.56668	0.8
151.04065	1.2
178.02682	1.0
179.03398	0.8
179.07195	2.9
180.07936	0.9
183.06686	3.1
193.08768	1.6
197.08270	2.0
203.07123	1.2
221.08218	15.2
224.06989	1.4
239.09276	51.6
240.09673	3.2
252.34190	0.8
286.99274	0.8
294.58670	0.8
355.26535	1.3
357.26535	1.3
375.26917	2.4
377.28610	1.2
378.00116	0.8
383.29617	1.2
385.23999	2.2
389.24872	0.9
391.30377	1.2
393.28076	1.0
405.28232	2.5
407.29623	8.8
409.31198	6.9
421.31766	1.1
437.30875	2.0
439.32507	5.5
453.30176	1.5
457.33932	3.8
465.30307	0.9
471.31274	3.3
483.31277	13.9
484.32013	1.4
501.17410	3.0
501.32434	100.0
502.32590	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	501.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	3.7
59.01373	0.9
68.19962	0.4
68.65227	0.4
69.03448	0.6
83.05016	0.4
85.42393	0.4
95.05023	1.1
97.06593	10.2
98.21724	0.9
123.08167	5.5
125.09731	55.8
126.10098	1.5
127.11314	1.9
139.11307	0.6
143.10777	1.2
155.10809	1.3
157.12392	0.6
169.08717	1.3
171.10260	1.2
173.11836	5.9
187.09769	23.3
188.10168	0.6
247.20667	2.2
263.20667	0.5
265.21628	2.4
291.19638	1.2
295.22873	1.0
309.20685	4.5
311.22073	0.5
313.23856	6.4
327.21771	3.5
329.23215	1.0
330.17969	0.5
331.24924	17.8
332.25458	1.0
334.83063	0.4
345.22598	0.8
379.30136	0.4
395.33398	0.9
411.32901	0.9
413.34351	0.6
423.29160	0.7
439.32233	2.5
457.33188	3.4
465.32562	0.5
483.33038	2.9
484.33658	0.6
501.34314	100.0
502.34637	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	501.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	2.0
69.03480	0.5
71.05038	0.8
83.05038	0.4
95.05067	0.6
97.06625	1.4
109.70777	0.4
120.31004	0.4
123.08190	1.2
125.09734	7.9
125.10613	0.7
127.11304	2.8
137.09784	0.6
139.11322	1.7
143.10800	0.6
153.09283	0.5
155.10831	2.0
171.10335	1.3
173.11845	19.5
174.12274	0.6
175.23228	0.5
187.09698	2.9
201.11403	0.9
209.08267	0.6
237.22153	0.5
247.20668	10.2
253.22041	0.5
265.21747	8.9
265.24518	0.6
273.18701	0.9
283.22787	0.6
291.19763	4.2
301.24036	0.7
309.20764	13.4
310.21179	0.8
313.24121	0.8
327.21771	11.9
328.22241	0.8
331.24969	2.6
345.22800	7.4
437.30881	0.6
439.32288	4.2
455.31949	1.3
457.33344	10.1
458.33801	0.9
465.32108	0.7
483.33240	4.3
493.47986	0.4
501.34299	100.0
502.34583	10.4
507.63214	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.5
56.84365	0.5
57.03439	0.9
58.00582	1.5
58.54453	0.5
58.96230	0.4
59.01370	1.6
66.04425	0.4
71.01382	1.1
71.05019	0.7
73.02937	0.7
79.01900	0.8
85.02955	4.5
85.06577	1.4
95.01403	1.2
95.05031	2.8
97.02947	0.9
97.06596	2.2
98.21776	0.9
99.08203	0.7
109.02933	1.7
109.06589	1.4
111.00951	0.5
111.04512	5.0
113.02442	2.5
113.06075	0.8
121.06574	0.6
123.08146	1.7
125.06132	2.5
125.09712	1.8
135.08206	0.7
137.06107	0.6
137.09778	0.9
139.04039	2.3
139.07657	1.0
151.07677	0.7
153.09174	0.7
155.07123	0.8
155.10831	0.5
159.10306	0.9
165.05557	0.9
165.09204	3.9
169.08745	1.1
179.07126	2.1
179.10762	4.2
181.08725	2.5
183.06638	11.5
184.06923	0.6
187.09750	0.8
193.08699	2.2
195.06598	1.2
197.08215	4.8
207.06618	2.6
209.08200	14.3
210.08455	0.7
215.27339	0.6
221.08171	1.7
223.09752	17.6
223.11800	1.1
223.13167	0.7
224.10132	1.1
225.07697	15.4
226.08051	0.5
231.06871	0.5
233.92831	0.5
237.07697	2.0
239.09242	6.6
249.07738	0.5
263.12897	6.8
264.13257	0.7
265.07220	1.1
277.11493	0.6
277.14459	3.7
291.08792	0.7
331.11929	6.6
331.24796	0.8
345.13269	2.6
358.24011	0.6
371.15335	1.0
387.30606	1.1
389.28531	3.1
406.28809	4.3
407.29465	1.8
413.23019	0.8
421.31067	3.5
423.32767	8.3
424.32999	0.7
426.86823	0.5
439.33121	2.8
441.19104	0.9
455.31519	1.2
457.22736	1.3
457.33466	5.6
469.33246	100.0
470.33615	12.6
473.34344	2.2
483.20428	4.9
484.20688	1.3
501.21014	5.4
501.32388	34.1
502.21622	0.8
502.32526	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	502.136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	6.3
61.98838	4.3
69.52330	10.5
71.01379	7.1
71.05010	2.0
79.01890	1.7
89.02423	3.0
96.16408	1.7
97.14072	1.7
101.02444	5.7
111.00909	2.3
120.82376	2.0
125.45909	1.6
137.02458	1.8
140.03377	1.5
210.64751	2.0
238.06197	2.3
239.69250	1.7
253.08801	3.6
281.04565	4.7
282.05344	45.4
297.07709	100.0
298.08051	4.9
311.09061	2.0
326.11697	4.2
331.57355	1.8
341.13962	7.8
370.55377	1.9
459.12894	6.6
469.35681	2.6
485.29666	2.1
501.32184	5.6
502.22275	2.1
502.32309	9.2
503.34219	66.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45909	0.4
54.45321	0.5
58.74527	0.5
59.01385	1.4
61.98832	100.0
65.79324	0.6
69.63979	2.4
71.01386	1.5
74.95997	0.5
89.02397	0.6
95.86596	0.5
101.02486	1.1
109.02962	0.6
111.00922	0.9
123.00921	1.4
123.80317	0.5
125.02489	2.1
126.02828	0.9
151.00375	0.7
153.01926	1.3
160.04095	1.0
169.01456	3.0
170.01793	0.8
195.69969	0.6
211.02417	0.8
260.06546	0.7
396.00946	0.6
471.35989	0.6
502.20325	12.6
503.20419	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19529	12.3
59.01348	16.2
69.10184	35.3
69.10590	100.0
86.46548	13.9
149.00066	14.2
178.26820	14.5
181.38098	13.8
484.31195	22.6
502.33438	75.4
503.34061	92.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	7.5
71.01369	5.4
71.29043	1.9
76.02869	1.5
79.95766	1.7
83.36978	1.3
87.00876	3.8
89.02441	3.3
96.96017	5.5
96.96999	2.0
98.95596	4.7
99.00860	2.7
99.92593	94.9
100.92662	2.7
100.93359	6.5
101.02456	1.8
108.02146	2.8
115.92087	78.3
116.92872	100.0
117.92876	2.9
125.02452	8.1
126.59239	1.5
126.94913	4.1
141.93695	3.2
142.94408	3.1
147.04564	2.0
152.31654	1.4
164.04793	5.1
168.95969	2.1
169.01357	7.7
170.93867	3.7
173.08200	2.3
179.07114	4.1
181.40761	1.6
184.95471	2.2
189.05600	1.7
196.95499	1.9
197.09373	1.6
197.11909	1.5
242.95969	4.1
243.96774	2.9
244.97540	4.8
259.96460	1.7
263.03967	2.3
277.01834	2.9
279.03409	11.4
295.02917	1.6
305.01349	2.8
307.02814	13.6
323.02283	6.2
351.16949	1.9
358.04449	1.9
415.16547	3.9
443.11334	3.3
467.06635	13.6
485.07770	4.7
503.08600	57.1
503.18735	4.8
503.24872	5.2
504.08926	6.4
519.78882	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1353
Annotation	Bequinostatin A
Peak:m/z	Relative Intensity
61.95534	0.5
61.98822	0.6
67.53848	0.3
69.02760	3.0
71.10058	0.3
79.05527	1.1
83.01405	1.1
84.45271	0.3
93.03477	1.1
95.05036	0.8
103.05550	1.4
105.03477	1.8
108.02196	0.5
109.02961	10.4
115.05504	0.5
117.71745	0.3
119.05058	1.3
121.02963	2.0
122.03753	0.7
123.04511	3.6
127.52215	0.4
133.02977	0.6
134.03795	0.3
135.04539	6.8
137.02463	0.3
137.21384	0.3
139.04030	2.5
145.02956	1.7
146.03772	2.8
147.04532	72.4
148.04897	2.6
149.02438	9.6
150.03236	9.9
158.03773	0.5
159.04521	6.1
161.02464	1.3
161.06085	0.3
163.03954	0.9
170.03758	0.4
171.04485	1.9
173.02452	2.0
173.06075	1.0
174.03304	0.8
175.04034	2.0
177.02016	0.3
177.05597	2.0
181.06555	0.4
183.04585	0.6
185.02390	0.5
187.03987	2.2
188.04800	2.1
189.05586	14.3
197.06068	0.9
199.04041	0.5
201.05579	3.2
203.03555	0.6
209.06076	0.5
211.03877	0.5
212.04823	0.4
213.05577	1.2
215.03548	2.9
215.07016	0.4
216.04318	0.5
217.05040	3.1
221.06279	0.4
223.07629	0.7
225.05551	2.3
227.03531	0.7
227.07144	0.4
228.04384	0.4
229.05000	0.4
231.06625	18.8
232.07001	0.8
239.07167	0.9
241.05093	0.9
243.06621	9.0
244.07144	0.4
249.05579	1.0
251.07152	0.9
253.05045	2.4
254.05775	1.0
257.04553	0.5
261.05429	0.4
263.07153	0.3
265.05038	1.4
265.08475	0.5
266.05838	0.7
267.06604	8.0
268.07001	0.5
269.05389	0.5
269.08182	4.0
270.08325	0.4
277.05136	2.1
278.05859	1.5
279.06589	2.0
281.08197	1.1
291.06619	1.5
292.07498	0.4
293.04562	1.4
293.08185	1.7
294.05286	0.8
295.06128	5.0
296.06769	0.6
297.07715	16.2
298.07947	0.8
309.07690	2.6
310.08441	0.7
311.09296	7.5
312.09802	0.6
317.08356	0.4
321.04291	0.3
321.07553	1.6
323.05643	1.4
324.06503	1.1
325.07217	2.6
331.09943	0.4
333.07733	0.8
335.09070	2.0
337.07227	1.2
351.08765	1.8
353.10324	6.9
354.10590	0.6
356.05341	1.1
363.08685	1.9
375.08713	0.7
379.08261	2.9
381.09866	2.6
393.09756	1.6
401.10132	0.6
417.09598	0.6
419.11389	3.4
443.11545	2.9
445.09427	3.8
485.12457	5.9
503.13516	100.0
503.33075	1.8
504.06540	0.7
504.13858	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	503.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54050	0.7
52.23227	0.8
57.03440	1.5
59.01379	7.3
59.68311	0.9
60.89391	0.9
71.01387	10.0
71.29850	1.2
73.02937	2.6
80.70069	0.8
83.01379	2.4
85.02940	3.7
87.00868	0.8
89.02479	3.6
93.03486	1.0
95.01396	1.0
95.05057	0.7
99.00873	2.1
101.02449	7.6
103.05524	1.3
105.03460	2.1
108.02159	0.9
109.02960	10.1
111.00902	1.0
113.02432	2.7
119.05042	1.4
121.02997	1.3
123.04586	3.7
125.02425	1.6
133.02914	1.1
135.04539	6.5
137.02451	0.9
139.03992	2.4
143.03491	1.0
145.02960	1.6
146.03719	1.8
147.04530	63.2
148.04874	1.8
149.02460	8.7
150.03250	8.5
159.03325	1.0
159.04550	6.1
161.02402	2.7
161.04524	2.0
163.03958	1.2
171.04556	1.0
173.02451	2.2
173.05971	1.2
177.05528	2.1
187.03989	2.7
188.04813	1.7
189.05574	11.6
197.06017	1.5
201.05591	2.3
209.15479	1.0
213.05603	1.9
215.03467	2.0
217.04988	3.2
221.06201	0.8
225.05605	2.2
227.03506	1.1
231.06642	16.2
239.05402	1.8
240.04520	0.8
241.05052	1.3
243.06677	8.9
249.05566	0.9
252.04134	0.9
253.05061	3.4
254.05594	1.4
257.04251	0.9
266.05875	1.2
267.06607	7.9
269.08200	3.8
277.05026	2.1
278.05725	2.2
279.06650	2.1
280.07336	1.3
281.04492	2.3
282.08817	1.3
293.04745	1.4
293.08194	3.1
295.06027	3.9
297.07675	13.4
298.08075	1.1
303.59512	0.8
309.07632	2.7
311.09250	9.0
312.09891	0.9
321.07681	1.5
323.05731	1.1
325.07275	1.5
326.08249	0.8
326.11423	4.4
327.12256	1.6
335.09305	2.0
337.07132	1.3
341.13815	5.3
351.08667	4.3
352.08945	0.8
353.10315	7.5
355.11923	1.8
356.05396	0.8
363.08762	2.1
371.20651	5.4
379.08234	2.2
381.09818	2.6
393.09851	2.0
419.11334	3.1
443.11432	3.3
445.09293	3.6
473.14688	1.6
485.12366	6.1
486.13116	1.0
488.17157	3.9
503.13373	100.0
503.19412	20.4
503.25345	7.5
504.13550	10.6
504.19687	1.7
504.25528	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64831	0.8
59.01365	2.3
65.94683	0.8
69.29047	3.8
71.01382	1.5
71.06480	0.8
72.98194	0.7
85.02896	1.1
89.02451	1.0
92.31834	1.0
99.92609	0.9
107.01381	1.6
109.02967	10.9
116.92881	1.0
119.04974	1.1
121.02925	2.0
123.00899	1.3
125.02480	7.4
133.02977	4.5
135.04546	17.3
143.04996	1.4
144.04559	1.1
145.02968	3.8
146.06120	3.7
147.04538	14.2
149.06100	1.6
151.00356	1.1
159.04523	11.0
160.07693	1.7
161.02452	3.3
169.01425	8.0
171.04538	4.0
173.02409	1.6
173.06125	1.0
175.03992	4.4
177.02078	0.9
177.05573	6.9
187.03944	1.2
188.07167	1.0
189.05638	4.5
196.05295	1.0
197.06128	1.6
199.03986	1.4
199.07635	1.9
201.05614	1.1
203.03496	2.1
207.06624	2.2
209.06165	1.4
211.02391	1.1
211.07626	1.8
213.05498	1.4
215.03493	6.1
221.06152	1.0
223.07610	2.0
225.05685	1.6
227.03487	1.1
233.06134	1.1
235.07635	0.9
237.05591	2.1
239.07040	1.6
240.04190	1.1
241.05069	1.7
241.18532	0.8
249.05501	3.0
250.06400	0.9
261.05328	1.8
262.06445	1.1
263.07059	2.1
264.04123	1.3
265.05096	4.8
265.08771	1.4
266.05829	2.2
267.06635	22.4
268.06949	1.4
275.07214	0.8
277.04987	2.9
278.05835	4.6
279.06567	10.1
280.07019	1.0
281.08185	10.9
291.06619	2.5
293.04517	2.9
293.08231	3.0
303.06528	1.3
305.08014	2.1
307.06122	2.1
319.06064	1.0
320.06955	0.9
321.07736	4.8
323.09308	2.2
329.07968	1.2
331.05847	1.0
333.07590	1.6
335.09192	2.4
342.23004	1.0
349.07263	4.9
351.08774	14.2
352.09708	1.9
362.07813	1.2
363.08658	1.8
375.08728	3.3
393.09625	2.3
401.10321	2.7
427.07748	0.9
443.11435	11.3
460.12558	6.1
485.12457	100.0
486.12735	10.5
503.13022	1.2
504.11542	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	503.1563
Annotation	Umbilicaxanthoside A
Peak:m/z	Relative Intensity
57.03451	4.0
58.00592	6.9
59.01382	100.0
60.01735	1.3
61.02969	1.4
71.01385	68.2
72.99305	5.9
73.02961	8.8
85.02958	13.1
87.00882	4.3
87.04543	1.6
89.02451	82.4
90.75848	1.1
95.01408	4.5
97.06602	2.3
101.02450	31.5
111.08169	1.5
113.02454	28.7
113.43558	1.4
119.03513	28.8
125.02480	2.1
131.03514	4.8
131.43866	1.4
143.03525	5.4
149.04555	4.0
161.04610	3.3
179.05646	7.0
179.07167	1.2
180.04047	1.5
181.08636	2.4
183.06654	2.9
219.38596	1.3
221.08260	1.7
239.09297	4.5
240.09612	4.1
241.09830	2.3
331.25119	1.6
341.14093	7.0
377.27795	1.8
408.29840	2.0
409.30627	2.5
431.31567	6.8
441.30045	4.8
459.30679	7.0
469.29828	2.8
484.31641	4.0
485.31656	4.8
502.32614	18.7
503.18430	3.2
503.33228	77.2
504.33932	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	503.1562
Annotation	Umbilicaxanthoside A
Peak:m/z	Relative Intensity
51.79997	0.4
57.89758	0.4
59.01385	3.6
62.98344	0.5
71.01371	1.5
73.02935	1.1
85.02986	0.8
89.02457	0.6
99.64311	0.4
101.02448	1.0
121.06574	0.4
125.02460	1.3
135.04565	0.7
161.02463	0.5
162.65266	0.4
169.01422	0.7
238.06406	0.5
239.07184	0.6
241.05095	0.6
253.08710	2.5
266.05881	1.3
267.06525	0.7
280.07431	3.3
281.08206	27.2
282.08963	30.7
283.09332	1.9
289.07083	0.6
295.09827	2.8
297.11325	48.5
298.11682	2.5
314.07968	8.2
341.10315	100.0
342.10739	7.0
351.36804	0.5
502.32657	0.7
503.15259	2.5
503.24838	2.0
503.34552	3.3
504.33203	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67839	0.3
59.01379	3.3
60.94378	0.4
65.75502	0.4
71.01382	0.9
73.02931	0.6
79.49496	0.5
85.02946	0.9
89.02462	0.6
92.90379	0.4
94.15537	0.4
97.02960	0.5
101.02447	0.6
101.73009	0.4
107.66335	0.4
109.02943	0.5
121.99680	0.4
125.02476	0.6
128.69397	0.5
159.04477	0.4
182.18501	0.5
183.10300	0.7
238.06526	0.6
239.07175	0.8
241.05060	0.8
253.08714	2.3
266.05829	1.2
267.06601	0.5
280.07431	2.0
281.08209	27.1
282.08966	32.5
283.09326	1.5
289.07214	0.5
295.09747	3.0
297.11325	51.9
298.11694	3.7
314.07965	9.6
314.11398	0.6
315.08194	0.5
326.08087	0.5
341.10297	100.0
342.10632	6.6
374.10968	0.4
503.14938	2.7
503.25150	1.9
503.33578	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	503.1582
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	3.5
59.01383	6.5
61.98843	1.8
69.04344	15.5
71.01384	3.3
71.05011	7.6
73.02941	3.5
73.05518	2.0
79.25980	1.8
83.05057	4.1
88.50649	1.8
89.02460	2.4
95.05057	1.9
95.20623	1.5
96.96059	2.6
98.22477	3.6
109.02900	2.1
115.92077	7.2
116.92859	3.9
121.02888	1.9
123.93630	1.8
133.02963	13.0
134.03754	6.1
135.04541	98.9
136.04829	3.5
137.02460	5.7
139.03912	1.8
148.05324	2.6
173.09673	8.6
174.10045	5.8
175.10368	2.0
177.01930	4.3
178.02777	8.6
179.03514	64.6
180.03769	2.6
259.70596	1.8
267.28195	1.9
304.32407	2.0
313.39462	1.9
338.21753	2.0
341.10315	100.0
342.10538	6.1
386.28134	3.7
387.28009	2.5
410.27853	4.8
411.28247	6.4
458.33679	9.4
459.34335	12.3
485.33331	4.5
502.32516	28.6
503.14868	2.2
503.34207	70.6
504.33728	5.7
510.44382	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1623
Annotation	Raffinose
Peak:m/z	Relative Intensity
55.01876	2.0
57.03444	2.0
58.00592	4.4
59.01383	100.0
60.01687	0.8
62.61266	0.8
69.03455	1.4
69.53179	3.6
71.01389	83.4
72.99297	3.5
73.02948	8.4
75.00870	1.4
83.01393	3.6
85.02956	15.0
87.00880	22.5
89.02453	93.8
95.01390	4.6
95.42603	0.8
95.57652	0.9
97.02950	3.3
98.22624	0.9
99.00891	2.3
101.02455	59.3
107.03514	1.6
111.00890	1.8
113.02455	32.2
114.02736	1.0
115.03993	1.1
119.03518	17.0
125.02444	4.8
129.01950	1.8
131.03532	5.6
141.01894	1.5
143.03506	10.8
149.04543	2.4
161.04578	19.3
179.05627	99.3
180.06027	2.4
221.06679	58.9
222.06970	2.4
263.07803	1.8
281.08780	6.0
323.09842	7.5
341.10931	4.8
501.63736	0.9
503.16202	48.8
504.16519	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	503.162
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31329	0.9
55.01882	1.6
57.03442	2.1
58.00591	2.1
59.01381	84.0
62.36294	1.0
69.85891	4.5
71.01385	65.8
72.99302	3.6
73.02939	6.5
75.00867	1.2
75.73533	1.0
83.01395	4.0
85.02953	12.8
87.00875	22.9
89.02449	79.5
90.02737	1.0
91.37914	1.0
95.01395	5.1
96.95998	1.7
97.02969	2.5
97.32791	0.9
98.21880	1.6
99.00874	1.9
101.02444	51.4
107.03519	1.1
111.00876	1.7
113.02454	30.9
119.03508	15.4
125.02448	3.3
131.03513	6.9
141.01952	1.3
143.03513	10.4
149.04518	3.2
161.04588	16.7
179.05614	100.0
180.05931	1.9
221.06674	52.6
222.06898	1.3
263.07733	1.9
281.08820	4.8
323.09903	7.1
341.10928	5.5
503.16220	48.8
503.23679	2.4
504.16644	2.6
514.50482	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16011	0.9
59.01363	4.3
67.01907	0.9
68.99804	3.7
69.03441	2.3
71.01373	3.6
71.29627	1.2
72.99306	1.2
83.01392	2.0
85.02946	5.1
87.00880	1.9
88.98779	1.2
95.01379	1.0
99.00884	3.5
101.02445	2.1
111.00854	1.8
113.02451	3.5
113.99601	13.6
115.00366	4.3
125.02473	2.4
127.00374	2.9
128.68475	1.0
129.01921	1.5
139.11255	1.2
141.01949	1.2
152.03500	2.4
157.01369	2.6
169.01390	2.0
174.01724	10.5
175.02534	1.5
176.84424	0.9
179.07175	1.3
183.10233	3.4
232.23769	1.0
277.05664	3.7
443.15756	10.1
503.17737	100.0
504.18405	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	503.1773
Annotation	Coniferinoside
Peak:m/z	Relative Intensity
55.01888	2.8
57.03442	3.2
58.00607	4.9
59.01383	100.0
61.98840	1.2
69.03450	4.7
69.13159	6.9
71.01386	82.9
72.99324	4.9
73.02952	13.7
81.03463	2.4
83.01402	7.3
85.02958	19.7
85.03429	1.8
87.00887	16.4
89.02452	83.5
93.03500	1.6
93.32981	0.9
95.01408	6.0
97.02957	8.4
98.22520	2.1
99.00867	5.9
101.02451	63.0
111.00919	3.0
113.02456	36.9
119.03511	47.9
121.02986	9.1
125.01543	1.9
125.02463	33.2
131.03523	10.3
135.04561	1.2
137.02469	1.3
139.04025	3.3
143.03514	11.0
149.02452	6.5
149.04588	3.7
151.00278	1.2
153.01938	10.2
159.02995	1.6
161.04591	15.7
162.03221	4.2
163.04045	7.6
164.04800	82.3
165.05180	2.7
167.03459	1.6
177.02032	1.1
177.05537	2.0
178.06386	1.4
179.05608	15.3
179.07155	53.8
180.04239	1.2
180.07527	2.0
182.98999	1.0
195.06636	9.7
221.06667	20.0
239.09126	1.0
243.38051	1.0
245.06685	4.0
263.07782	10.8
319.08459	1.1
323.09891	13.7
341.12271	4.9
503.18164	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
58.49405	3.3
59.01381	57.0
61.98835	22.6
69.03459	11.0
71.01392	34.3
71.29679	5.3
73.02956	42.9
79.95753	5.1
83.01394	24.4
85.02959	10.6
89.02448	11.7
99.04536	8.3
101.02455	38.8
101.32789	3.4
101.96072	3.9
109.02970	7.0
113.02468	35.8
117.05591	96.5
119.03499	7.7
123.04618	4.7
125.02480	18.9
131.03503	7.5
135.04518	15.6
137.02452	9.9
139.91597	3.4
147.04503	5.5
159.06651	14.4
161.04501	6.8
169.01364	5.9
179.03540	4.7
179.10768	51.2
189.07668	8.6
222.09906	4.9
223.09790	100.0
224.10048	4.1
242.87602	5.1
267.06552	4.9
323.09171	4.4
323.34610	3.8
341.10361	7.8
503.13986	9.1
503.20810	5.3
503.30124	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2502
Annotation	Foliasalacioside D
Peak:m/z	Relative Intensity
55.01877	6.2
57.03453	6.5
58.00596	2.3
59.01384	52.0
59.87567	0.8
69.03444	3.5
69.41571	4.2
71.01385	77.6
72.01710	1.8
72.99312	3.5
73.02950	30.0
75.00861	2.3
80.40690	0.7
81.03471	1.2
83.01392	12.8
84.02154	0.9
85.02958	34.0
87.00883	3.0
89.02451	27.9
93.89502	0.8
94.52441	0.7
95.01393	4.7
96.36444	0.9
97.02945	4.7
98.21832	1.0
99.00886	15.2
99.01477	1.3
101.02448	61.0
102.02767	0.8
111.00896	1.9
113.01646	1.3
113.02453	27.9
115.04028	3.3
119.03533	4.5
125.02460	6.3
126.92104	0.8
129.01967	1.6
131.03535	5.4
143.03505	3.0
149.04578	6.3
159.03012	4.5
161.04561	33.1
179.05687	0.9
185.11790	1.0
191.05675	2.8
209.15468	9.4
233.06711	3.6
273.85620	0.8
293.08633	2.0
326.11728	1.3
327.12302	1.1
341.13992	2.0
355.12274	1.0
371.20746	86.9
372.21075	7.1
376.48358	0.8
443.19278	0.8
503.25125	100.0
504.19199	0.7
504.25534	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	503.3019
Annotation	Spongianolide B
Peak:m/z	Relative Intensity
57.03439	1.3
58.00566	2.1
59.01381	3.8
59.53977	0.6
62.61604	0.5
64.76886	0.5
67.16495	0.5
69.05791	3.4
71.01384	2.8
73.02952	21.1
80.21319	0.5
83.05004	0.9
83.28193	0.6
84.34601	0.5
85.02950	2.9
89.02393	0.6
95.05003	0.6
98.04140	0.6
101.02405	1.1
105.24372	0.5
109.02899	0.6
135.04469	0.9
137.02415	0.6
142.32896	0.5
169.85307	0.5
170.96635	0.5
179.55539	0.5
263.94049	0.5
309.89240	0.5
311.08951	0.9
327.04962	0.6
328.45242	0.6
330.71985	0.6
341.10071	1.0
341.13773	1.8
377.28329	1.7
381.28253	0.7
383.29330	2.2
385.31354	2.5
397.31232	0.9
415.27814	0.9
415.32687	0.7
441.29776	3.1
457.29523	3.2
459.31189	13.0
460.31152	1.4
503.29794	100.0
504.30176	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	503.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92592	0.6
56.73672	0.7
57.03456	10.1
59.01389	4.2
61.98824	1.0
62.10883	0.6
69.14389	5.5
85.02958	100.0
85.34068	0.6
86.03287	1.4
99.04543	1.2
101.29482	0.7
111.08202	1.5
120.97089	0.7
143.07278	0.7
189.07811	0.9
196.70650	0.7
283.04181	0.6
286.21939	0.7
331.25281	0.9
355.26535	6.9
357.28003	9.6
373.27554	7.1
374.28296	1.0
375.29495	0.8
381.28455	0.8
399.30048	1.0
401.27414	1.9
411.33063	0.8
413.30899	3.6
431.32495	2.9
441.34781	0.8
457.34039	0.9
459.31989	8.2
460.31799	1.5
485.32706	0.8
503.34393	37.1
504.34659	2.6
516.20117	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3385
Annotation	6beta-Hydroxyarjunic acid
Peak:m/z	Relative Intensity
51.64777	0.7
57.03458	2.0
59.01381	100.0
60.01700	0.9
92.86440	0.7
98.22558	1.3
99.75414	0.7
142.71922	0.7
155.07063	0.8
168.74185	0.7
174.81763	0.8
224.76895	0.7
239.53322	0.8
279.23291	3.7
303.38000	0.7
311.66458	0.9
324.41754	0.8
409.31174	7.4
423.33160	0.8
441.34210	0.9
459.34915	1.3
471.31146	3.7
485.33405	1.4
503.34091	30.5
504.34738	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	503.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01726	1.1
63.87059	0.4
68.25270	0.4
69.01440	3.6
75.06522	0.4
111.04514	0.7
151.42683	0.4
179.10750	0.5
181.08737	1.3
208.56845	0.4
223.09828	0.5
267.08734	2.7
321.13519	0.5
413.30814	0.7
446.30103	0.7
457.33292	2.3
503.34280	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3382
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
57.03442	1.1
70.60853	0.8
71.05024	1.2
73.02961	2.5
91.54578	0.4
113.58326	0.4
127.92676	0.4
129.03423	0.4
160.84236	1.9
293.49573	0.4
355.26523	0.6
372.48209	0.5
379.30066	0.6
407.29825	2.7
421.31332	1.1
423.29251	0.7
439.32379	0.5
443.31931	1.4
453.30038	5.3
459.35504	0.7
473.33057	0.5
485.32767	21.0
486.32990	1.5
503.33878	100.0
504.34262	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3384
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
52.98568	0.2
68.23602	0.2
70.92713	0.4
73.02979	0.5
83.05020	0.2
108.56054	0.2
119.90723	0.2
176.49820	0.2
184.53941	0.2
250.06223	0.2
250.30765	0.2
355.50055	0.2
377.24307	0.2
389.28445	0.5
407.29883	0.4
459.34949	0.4
459.96362	0.2
503.33826	100.0
504.34183	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	503.3384
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
57.03497	1.0
60.33827	0.9
71.04995	1.0
73.02941	1.5
111.07429	1.0
111.08178	3.8
143.61768	1.0
173.08255	2.4
228.90601	1.0
324.90387	1.1
347.24451	1.3
376.56348	1.2
455.32339	0.9
473.32761	2.3
487.55792	0.9
503.33875	100.0
504.34128	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.5
59.01382	0.7
60.99307	0.5
68.09239	0.4
71.05024	0.5
73.02964	0.8
137.48677	0.5
193.77470	0.4
195.06644	0.9
205.16045	1.4
219.01668	0.5
229.21631	0.5
249.14848	0.5
249.44345	0.4
251.16554	1.4
262.25687	0.4
281.26648	0.4
306.00772	0.4
357.00189	0.5
411.32831	1.3
429.33615	0.9
439.32129	0.5
441.33951	3.5
455.31909	4.1
458.32761	0.5
459.35074	0.9
473.32733	3.1
485.32813	0.9
503.33920	100.0
504.34192	11.6
515.64417	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3384
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
59.01381	2.3
61.56014	0.5
62.09715	0.5
78.95914	0.8
82.09597	0.5
84.04723	0.6
107.64112	0.5
131.50563	0.5
191.14474	2.7
229.27977	0.6
237.14906	2.9
277.21661	0.9
278.22147	2.2
326.93921	0.6
331.53320	0.5
368.54428	0.6
393.26361	0.6
399.32593	0.6
439.32101	0.9
441.33578	1.8
457.33011	3.2
459.34772	5.6
477.35840	1.1
485.32764	0.7
503.33887	100.0
504.34216	11.1
525.44995	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3384
Annotation	Clethric acid
Peak:m/z	Relative Intensity
52.55268	1.0
57.03448	2.6
59.01381	2.8
65.20106	0.9
69.20349	4.5
69.20764	1.7
71.01389	45.9
89.02496	2.3
101.03837	0.8
107.64935	1.0
117.60334	0.9
119.87883	1.3
120.20991	1.1
131.74332	0.9
137.09747	1.0
183.06599	2.2
383.29880	2.2
389.28531	1.1
406.28772	2.1
411.28821	5.0
413.30710	4.2
413.35266	2.3
421.31342	1.9
423.32819	2.6
429.30026	2.8
431.31897	2.6
439.32373	1.2
441.34131	2.2
446.30389	8.0
457.33267	100.0
458.33594	10.8
469.33273	33.7
470.33609	2.8
485.32837	2.7
503.33847	66.8
504.34174	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	503.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24544	0.7
57.16985	0.8
59.01385	44.7
59.43011	0.6
61.16000	0.6
69.39352	1.7
69.39760	2.3
73.02969	1.2
75.00859	0.7
85.02997	0.8
97.06637	1.1
99.08175	0.8
107.35568	0.6
111.04524	0.8
125.09753	1.8
127.11320	1.5
129.09238	1.5
155.10872	1.8
160.84363	1.0
171.10330	2.5
173.11826	13.7
176.93111	0.7
183.06697	0.9
195.06628	4.7
201.11366	1.2
209.08331	0.9
215.12910	0.7
217.14632	0.9
239.09303	1.8
295.22916	1.1
311.22375	1.2
313.23889	15.1
329.23550	2.4
331.24951	6.5
347.24423	6.5
351.84412	0.8
383.29858	1.1
419.03363	0.7
429.30066	1.4
441.34140	3.0
459.34900	6.9
473.32788	15.1
474.33459	1.5
475.31128	1.4
485.35190	3.5
486.33960	0.9
503.35553	100.0
504.35837	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	504.0791
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.2
61.98827	12.5
68.99532	10.1
79.95753	1.5
81.03465	1.2
90.57430	0.9
95.05043	1.4
97.02948	1.6
97.78554	1.2
109.02949	7.5
114.28299	1.2
121.03018	1.4
123.00909	1.6
123.04543	5.4
125.02462	61.1
137.02469	8.6
145.02916	2.9
149.02444	2.0
151.04012	3.5
159.04587	1.3
161.06027	1.8
165.01994	2.3
166.99872	2.1
168.00694	1.8
168.16789	1.3
169.01442	100.0
170.01773	2.1
171.27640	1.2
179.03506	2.2
185.06038	1.5
187.04021	1.7
188.04822	1.4
193.01474	4.0
193.82671	1.2
197.00119	1.3
203.07146	4.1
205.05080	2.5
245.08286	6.7
271.06155	4.7
289.07220	32.9
290.07376	2.4
303.05035	2.0
331.04599	1.7
365.63742	1.4
393.22665	1.3
441.08270	32.1
442.08612	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	504.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	8.5
69.51386	4.2
69.51792	3.1
71.01390	7.2
73.02943	1.9
77.93704	1.5
83.01395	2.2
85.02950	3.2
89.02452	2.9
95.01388	3.0
96.96032	5.8
96.96994	1.7
101.02464	4.5
107.01411	13.2
111.00909	2.0
113.02475	2.8
117.19944	1.4
123.00901	12.6
125.02467	49.7
127.00353	1.8
128.05083	1.8
130.06592	4.9
131.03792	2.6
136.98842	1.5
139.00401	5.0
140.01198	2.3
141.01987	1.6
142.06628	6.7
144.04591	9.0
144.08211	7.3
145.05296	2.2
146.06140	39.5
151.00383	7.3
153.01985	1.8
158.06160	3.0
160.07652	13.2
165.05479	2.0
168.00671	4.5
169.01443	63.7
170.01727	2.2
170.06129	3.1
186.05663	3.8
188.07217	13.6
190.05135	3.0
209.08244	2.1
211.02487	11.4
223.09822	3.4
248.37202	1.5
250.87193	1.8
271.04587	4.9
295.72177	1.4
308.11563	3.3
313.05612	5.4
325.10846	3.4
352.10419	14.6
431.85477	1.5
458.11008	2.7
460.06122	3.0
460.12537	50.0
461.12881	3.6
492.02682	1.7
504.11523	100.0
505.11752	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	505.099
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00581	0.8
59.01389	7.3
60.21685	0.8
61.98812	1.0
67.01896	1.3
68.99813	0.8
69.03452	2.1
71.01390	9.6
72.99297	1.2
73.02946	1.8
75.00854	0.8
81.03455	2.5
82.95413	0.8
83.01379	2.3
85.02946	3.4
87.00893	3.1
89.02464	3.0
94.32703	0.7
95.01381	2.2
96.96023	2.7
97.02975	1.6
99.00908	1.0
101.02465	3.8
105.03471	1.4
107.01402	14.0
109.02968	1.4
111.00890	12.1
113.02475	3.7
113.99606	2.1
115.00366	1.9
116.92876	2.0
119.05045	1.0
120.99659	0.8
121.02905	1.1
123.00893	9.4
123.04537	2.3
125.02461	59.7
126.02789	1.8
127.00382	1.3
133.05049	1.5
136.98792	1.0
137.02434	1.3
139.00368	3.6
140.01146	1.7
141.01929	1.7
147.04533	2.5
149.02458	3.1
151.00385	7.7
151.03964	1.7
151.60631	0.8
153.01981	1.8
161.04454	0.8
161.05879	0.7
168.00644	2.8
169.01442	83.0
170.01793	2.9
172.30753	0.7
173.00964	1.4
174.01695	2.5
179.03586	1.0
185.11848	4.1
191.03516	100.0
191.12143	0.8
192.03856	4.1
205.05132	1.4
211.02518	3.0
233.04590	1.1
241.03342	1.4
271.04715	0.9
313.05679	79.7
314.06119	3.9
325.10892	2.3
343.11908	5.0
445.17133	2.2
505.09930	75.4
505.19284	21.8
505.31775	1.8
506.10266	8.4
506.19443	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01927	0.7
57.03465	1.2
59.01379	7.0
69.53163	1.6
71.01386	11.7
72.99329	0.9
73.02979	0.9
75.00891	2.9
77.03985	0.8
79.01925	1.0
80.35812	0.6
85.02956	8.0
85.03404	0.6
87.00936	1.9
89.02475	0.9
92.88593	0.5
95.01408	2.8
98.22442	1.2
99.00879	3.0
101.02482	0.5
103.00370	3.0
104.95438	0.5
108.02247	1.6
109.03000	0.6
113.02454	10.0
115.00407	0.9
117.01996	0.8
121.02971	4.5
122.03826	0.6
129.01955	0.7
136.01799	0.6
137.02466	1.5
145.26781	0.5
148.01738	1.8
149.02425	0.8
164.01184	1.2
165.01949	4.5
175.02495	4.2
177.01962	1.1
178.02812	0.7
178.15195	0.5
205.01530	0.6
212.04816	0.5
222.63586	0.5
225.05550	0.6
240.04324	1.2
241.05151	1.8
257.04541	8.1
258.05173	1.1
268.03860	1.0
269.04575	16.2
269.07690	0.6
270.04877	1.1
271.02603	0.6
285.04077	34.0
286.04602	3.5
297.03998	0.7
313.03503	1.0
314.04343	100.0
315.04666	6.7
329.06674	94.9
330.07053	6.3
343.11926	7.1
343.15710	1.0
505.09799	6.7
505.21884	0.8
505.35480	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.0994
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.9
59.01096	0.5
59.01386	8.9
59.17207	0.5
61.98830	0.6
65.00337	0.4
65.49038	0.4
69.00906	0.5
69.01311	2.8
71.01389	11.7
72.27113	0.4
72.99304	1.3
73.02929	1.6
75.00883	2.1
77.03968	0.8
79.01898	1.1
80.35814	0.6
83.01405	0.5
85.02957	8.5
86.31930	0.4
87.00880	1.9
89.02457	1.2
89.56012	0.4
93.03484	0.7
93.05686	0.3
95.01380	3.2
97.02966	0.5
99.00883	3.8
101.02444	0.4
103.00367	3.2
108.02175	1.7
109.02942	0.9
110.91076	0.4
111.00856	0.5
113.02456	11.7
115.00388	0.6
117.01942	1.1
121.02968	3.9
123.00913	0.4
123.04573	0.4
126.39810	0.4
129.01932	0.6
135.04492	0.6
136.01669	0.6
136.94933	0.4
137.02451	2.1
138.03252	0.9
145.02930	0.4
147.04558	0.4
148.01692	1.7
148.27425	0.4
149.02415	1.1
157.01564	0.4
163.00381	0.6
164.01166	1.3
165.01965	3.9
173.59509	0.4
175.00891	0.5
175.02469	4.4
177.01932	1.0
178.02728	0.9
179.03528	0.5
186.84746	0.4
195.03052	0.6
199.09737	0.5
205.01506	0.4
213.05557	0.5
224.00302	0.4
230.05846	0.4
239.05600	0.8
240.04120	1.2
241.05060	2.3
257.04565	7.3
258.04968	0.6
268.03857	1.1
268.07379	0.5
269.04565	13.5
269.07541	0.4
270.05072	0.6
271.02414	0.6
280.11002	0.4
283.09683	0.8
285.04056	32.1
286.04559	3.5
299.13171	0.7
310.12134	0.8
313.03543	1.2
314.04340	100.0
315.04697	6.7
329.06677	93.5
330.07004	5.7
343.11862	6.9
343.15619	0.9
344.12097	0.7
425.45322	0.4
501.15686	0.4
505.10046	6.9
505.21841	1.1
505.32016	1.6
505.35052	1.8
506.10025	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01927	0.7
57.03465	1.2
59.01379	7.0
69.53163	1.6
71.01386	11.7
72.99329	0.9
73.02979	0.9
75.00891	2.9
77.03985	0.8
79.01925	1.0
80.35812	0.6
85.02956	8.0
85.03404	0.6
87.00936	1.9
89.02475	0.9
92.88593	0.5
95.01408	2.8
98.22442	1.2
99.00879	3.0
101.02482	0.5
103.00370	3.0
104.95438	0.5
108.02247	1.6
109.03000	0.6
113.02454	10.0
115.00407	0.9
117.01996	0.8
121.02971	4.5
122.03826	0.6
129.01955	0.7
136.01799	0.6
137.02466	1.5
145.26781	0.5
148.01738	1.8
149.02425	0.8
164.01184	1.2
165.01949	4.5
175.02495	4.2
177.01962	1.1
178.02812	0.7
178.15195	0.5
205.01530	0.6
212.04816	0.5
222.63586	0.5
225.05550	0.6
240.04324	1.2
241.05151	1.8
257.04541	8.1
258.05173	1.1
268.03860	1.0
269.04575	16.2
269.07690	0.6
270.04877	1.1
271.02603	0.6
285.04077	34.0
286.04602	3.5
297.03998	0.7
313.03503	1.0
314.04343	100.0
315.04666	6.7
329.06674	94.9
330.07053	6.3
343.11926	7.1
343.15710	1.0
505.09799	6.7
505.21884	0.8
505.35480	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.5
69.17255	5.1
97.32265	0.7
98.21876	1.4
121.02966	100.0
122.03277	1.7
155.07130	2.6
160.01729	1.1
163.07654	7.2
163.75806	0.7
167.08421	0.7
173.21956	0.7
175.04022	2.6
181.06648	3.4
183.52623	0.6
197.06100	2.9
200.71695	0.6
207.04456	1.3
225.05588	1.9
251.07162	1.0
257.00769	0.8
257.09628	1.0
313.07272	6.2
383.07889	1.3
417.09756	11.0
443.31656	1.0
458.33325	0.8
461.32843	1.2
487.31726	1.3
504.34103	2.5
505.11487	6.1
505.31564	14.0
506.11874	1.4
506.32306	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20815	0.4
59.01386	4.3
73.02967	0.7
79.48826	0.5
93.03460	1.5
98.22570	1.6
108.02182	1.9
109.02950	2.9
119.05047	0.6
121.02966	14.3
122.03760	1.5
123.04543	6.8
134.03729	2.8
135.04546	5.7
137.06038	0.8
145.02934	1.7
147.04539	1.4
148.05345	0.7
149.06114	2.1
150.03253	0.6
159.04507	0.5
160.05281	0.7
161.06059	0.9
162.06931	1.0
163.07672	2.0
173.06183	0.6
175.07674	2.0
189.05606	1.4
193.08774	2.3
219.06938	0.5
221.08157	3.0
223.07733	1.0
239.07114	0.8
240.07878	1.1
251.07089	1.9
252.07852	1.2
253.08461	0.5
254.05833	1.0
255.06715	1.2
256.07404	1.7
256.11093	0.7
265.08691	1.6
266.06042	0.6
266.09442	1.7
267.06564	1.8
267.10202	2.3
268.07434	6.6
269.08197	7.6
271.09811	2.1
271.13394	0.9
281.11905	1.1
283.09753	5.7
284.10526	6.4
299.12915	6.1
300.13318	0.6
311.09512	3.9
325.10791	0.5
325.14438	0.7
328.09482	0.7
343.11893	100.0
344.12262	8.0
354.77124	0.6
505.17288	9.1
506.17697	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30653	1.3
59.01381	22.6
65.00279	1.3
69.01550	10.1
69.01953	2.5
71.01382	20.4
72.99300	1.4
73.02920	2.8
73.20117	1.2
75.00867	1.7
85.02956	9.7
87.00889	3.4
89.02444	7.7
91.01873	1.8
93.03459	11.7
95.01368	3.2
98.21678	2.7
99.00871	2.9
101.02420	3.2
103.17171	1.3
108.02166	2.7
109.02918	3.0
113.02471	12.9
114.34618	1.5
119.01352	5.6
119.04971	4.7
121.02982	12.0
122.03728	2.2
123.04483	2.7
134.03712	2.0
135.04539	7.7
136.01602	4.1
137.02461	25.1
137.06065	3.0
138.03116	1.5
141.32179	1.4
146.64821	1.7
147.00815	5.1
147.04425	2.3
148.01656	2.1
149.01497	1.7
149.02451	19.7
150.03117	4.1
151.03970	2.8
160.89523	1.5
161.02481	1.5
162.06834	1.7
163.03955	4.0
164.04788	16.7
165.01897	5.3
175.00356	33.4
175.02454	2.2
176.01039	4.5
177.01831	2.0
179.03477	7.2
179.07045	1.8
189.01772	1.8
189.05492	1.5
190.01035	2.3
190.02731	72.4
191.03453	10.7
205.05058	73.8
206.05580	3.1
209.04460	5.4
221.08121	3.2
223.04408	1.4
223.06114	18.9
239.05498	6.1
240.04094	1.8
241.05006	2.6
257.04437	5.9
265.06921	2.8
268.07346	3.8
269.04431	11.1
269.07990	4.6
283.09573	4.6
284.10251	4.3
285.04071	26.8
286.04233	2.1
299.12671	5.2
308.15012	1.5
311.08264	1.9
314.04340	84.0
315.04544	4.5
329.06693	77.8
330.06842	5.1
343.11877	63.6
343.15607	3.8
344.12280	7.3
348.79797	1.4
370.48932	1.5
371.09839	1.9
430.33856	1.5
487.19583	10.3
490.14639	4.6
505.10492	5.0
505.16846	100.0
506.17206	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	505.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	9.1
59.01374	2.8
69.93416	1.0
70.98923	1.0
71.01380	4.5
79.05540	3.7
81.03474	2.8
83.01402	5.9
85.06594	9.6
93.03490	1.0
95.01466	1.1
99.04526	12.1
101.02441	2.1
101.21834	0.9
109.02950	2.2
111.04517	12.8
111.63853	1.0
113.02473	1.9
123.00902	2.4
123.04538	55.0
124.01695	1.8
125.02474	1.5
125.09745	5.1
127.07666	17.8
130.03015	1.2
135.04536	13.3
136.01680	17.3
137.02449	3.4
148.05348	1.1
149.09756	15.6
151.04022	21.8
165.05586	2.9
175.07690	3.1
176.08498	1.4
177.05537	2.2
191.07114	1.7
193.08714	100.0
194.09076	4.4
205.08704	41.5
206.09071	1.5
211.09760	42.3
212.10188	1.3
223.09804	2.3
247.09766	6.1
259.17554	1.1
263.12833	1.6
285.03961	1.4
295.09894	1.6
305.13934	27.0
306.14276	1.6
310.12286	1.8
313.03571	3.3
328.06061	2.2
328.13242	3.8
331.24860	1.4
333.17133	18.7
343.08304	4.7
343.15491	40.8
344.15771	2.3
357.26428	1.5
366.60605	1.1
399.18207	3.1
443.17218	14.6
444.17383	1.7
461.18311	2.8
505.17215	4.2
505.36115	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00582	0.5
59.01384	7.5
61.98816	1.5
68.31315	0.4
71.01390	2.6
71.28979	0.5
73.02946	4.9
85.02959	1.0
87.00868	1.0
89.02451	1.2
93.03464	1.8
95.05025	0.6
101.02441	1.3
107.54761	0.4
108.01524	0.6
108.02165	3.3
109.02286	0.5
109.02932	3.0
111.00886	4.5
113.02427	0.6
116.12424	0.5
119.03548	0.5
119.05019	1.4
121.02074	0.9
121.02962	15.5
122.03783	1.1
123.04539	7.1
125.02445	0.7
130.30385	0.4
132.18195	0.4
134.03737	3.0
135.04527	5.4
137.02455	1.7
137.06079	0.8
145.02956	1.9
147.04497	1.5
148.05234	0.7
149.06114	2.2
149.07176	0.5
150.03232	0.5
151.03981	0.6
152.01245	0.5
159.04547	0.7
160.05295	0.9
161.02434	1.4
161.04578	0.5
161.06009	1.3
162.06854	1.7
163.04044	1.5
163.07646	2.7
167.03502	0.9
175.03981	0.7
175.07751	2.0
175.09137	0.5
177.05634	0.5
179.03510	0.8
183.10330	0.8
185.57729	0.4
188.04735	0.8
189.05588	1.6
195.06526	0.7
212.08351	0.7
221.08148	4.0
223.07640	1.0
239.07199	0.6
240.07971	0.9
241.08696	1.1
243.12300	0.5
251.07234	1.4
252.07819	1.0
253.04999	0.7
254.05791	0.9
255.06544	1.1
256.07410	1.0
256.11084	0.9
265.08655	1.2
266.06018	0.5
266.09491	0.7
267.06750	2.3
267.10309	1.7
268.07458	6.6
269.08142	7.6
270.08588	0.7
271.02731	0.6
271.09802	2.1
281.11792	1.3
283.09781	6.5
284.03494	0.7
284.10522	6.5
293.08194	0.7
299.12881	6.6
300.13065	0.5
311.09372	3.7
325.11038	2.9
326.10931	0.5
328.09427	1.1
343.11865	100.0
344.12183	7.8
468.45264	0.5
505.16949	4.3
505.31967	13.5
506.32108	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64157	0.5
58.00597	1.0
59.01094	0.6
59.01380	7.9
61.98824	1.1
71.01369	2.3
73.02955	4.0
77.56641	0.5
85.02956	0.9
87.00886	0.9
89.02454	0.9
93.03465	1.9
100.73369	0.6
101.02452	1.4
102.92474	0.5
108.02184	2.9
109.02966	1.8
110.79932	0.5
111.00900	2.7
113.02454	0.8
119.05025	0.8
121.02962	15.7
122.03707	1.7
123.04535	5.9
134.03775	2.8
135.04552	5.4
135.08232	0.5
137.02423	0.9
137.06049	0.7
145.02966	2.2
147.04465	1.4
148.05319	0.9
149.06042	2.5
151.03995	0.7
161.02425	1.6
161.06097	1.2
162.06841	0.8
163.04033	1.0
163.07637	2.0
168.87628	0.5
173.06073	0.5
175.03951	1.1
175.07640	2.0
179.03496	0.7
188.04802	0.9
189.05583	2.1
205.05083	0.9
212.08311	0.6
221.08194	3.9
223.07736	0.7
239.07222	0.8
240.07919	0.9
241.05037	0.6
241.08769	0.7
251.07100	2.0
252.07800	1.1
254.05913	1.1
255.06584	2.3
256.07379	1.2
265.08780	1.8
266.06061	0.7
266.09283	1.1
267.06641	2.1
267.10242	2.3
268.07437	6.5
269.08194	8.3
270.08780	0.7
270.87640	0.5
271.09738	3.3
281.11774	1.6
283.09744	6.4
284.03418	0.7
284.10477	5.9
299.12878	5.7
300.05978	0.6
310.08444	0.7
311.09329	4.1
325.10867	2.1
328.09555	1.1
328.13113	1.1
343.11865	100.0
344.12158	7.3
385.12830	1.1
505.16788	3.8
505.31830	11.3
505.35068	8.9
506.31339	0.8
506.35913	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61776	0.5
57.03440	0.7
59.01097	0.8
59.01382	13.6
60.87373	0.5
68.98130	4.9
71.01375	3.5
73.02947	1.2
85.02956	1.5
89.02434	1.7
91.05545	4.2
93.03467	1.4
95.01402	0.6
95.41351	0.5
98.22550	1.1
99.00874	0.7
101.02422	1.9
107.05040	11.9
108.02198	0.5
109.03004	2.5
109.06573	2.1
113.02466	2.3
116.97108	0.5
119.03491	0.7
119.05011	2.0
121.02964	4.4
122.03732	1.1
124.01664	1.0
125.02430	0.7
134.03683	0.8
135.04533	57.2
136.01677	0.7
136.04958	1.8
137.06097	16.9
138.02000	1.3
138.06454	0.6
146.03763	3.3
147.04549	1.8
148.05305	6.7
149.06084	14.8
150.03188	0.7
151.03967	2.1
161.02455	0.9
161.04561	0.9
161.06128	0.5
161.70325	0.5
163.03979	1.5
163.07632	1.9
181.05080	29.5
182.05399	1.5
193.05092	1.2
195.06641	4.0
227.12827	1.7
239.07173	1.0
240.07837	3.1
249.39066	0.5
262.21155	0.5
299.01953	0.7
299.12900	1.5
325.10757	1.8
325.14334	1.0
328.13339	0.8
329.06662	0.8
342.07364	0.7
343.11874	100.0
343.15079	4.0
344.12262	8.0
357.13641	0.9
367.12042	1.1
385.12952	1.8
399.07581	0.5
487.25653	1.0
505.20108	6.6
505.27191	2.5
505.36118	6.7
506.20572	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.7
59.01373	8.2
63.78665	1.2
70.33053	1.7
70.33355	1.8
71.01391	7.1
73.02889	1.3
85.02955	9.5
87.00871	5.4
89.02468	5.2
93.03465	2.1
101.02455	4.5
111.04518	1.4
113.02462	2.5
117.05561	2.2
126.62907	1.4
156.88773	1.1
163.06117	13.7
164.80045	1.2
179.05612	3.6
180.05988	1.4
181.06100	2.1
191.05623	100.0
192.05949	3.6
221.06696	2.2
228.97621	1.4
383.84753	1.4
399.48227	1.4
505.16550	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1882
Annotation	(+)-Lariciresinol 9'-p-coumarate
Peak:m/z	Relative Intensity
55.29284	1.8
55.29572	1.3
57.03450	5.1
59.01382	6.6
61.98821	2.7
70.52895	2.5
71.05045	3.7
72.99316	1.5
73.02933	2.2
83.05069	2.1
85.06569	1.6
85.22079	1.6
87.04533	1.9
93.03487	2.0
119.05042	98.6
135.08066	1.8
142.36234	1.8
158.35118	1.4
163.04028	100.0
163.69804	1.6
164.04501	1.9
185.11855	1.7
212.86601	1.7
223.09923	1.8
239.58795	1.6
283.09857	8.1
311.09241	21.0
325.10852	4.9
326.11664	11.3
327.12119	2.2
341.14044	25.1
387.29309	1.9
399.28979	3.1
414.11017	2.3
417.13458	4.3
426.27368	1.9
427.27536	5.6
443.31299	7.2
445.12881	3.7
460.15277	5.7
460.35202	4.2
461.35217	7.2
475.13797	3.1
487.30829	2.8
490.16208	12.3
504.34814	11.3
505.19440	27.2
505.31360	46.4
506.18735	2.4
506.32162	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	505.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69665	3.3
55.73551	3.2
57.03446	4.5
59.01374	10.1
59.27737	3.1
67.87710	3.3
71.01387	10.4
71.29087	3.5
72.99308	4.3
73.02941	3.5
90.71899	3.3
93.03467	64.9
99.92728	3.5
101.02428	4.6
108.02235	5.9
109.02972	11.2
121.02951	7.8
123.04550	4.3
135.04530	11.4
137.02458	100.0
145.03011	5.8
147.04518	4.3
158.03687	5.2
159.04567	8.1
209.12050	4.5
267.06638	3.4
275.07132	3.9
277.08856	6.4
278.06073	3.9
289.08768	7.2
290.06137	3.8
291.06677	7.4
293.08090	4.0
300.07895	4.1
301.08447	4.5
304.07407	5.2
305.08224	14.3
306.08997	5.7
307.09802	6.1
317.08270	7.0
318.08856	4.6
319.09833	4.4
320.10376	5.5
333.11102	4.1
336.10150	4.6
343.11914	7.9
406.91306	4.7
409.11096	5.3
411.12802	5.1
417.29932	6.2
427.11978	8.9
439.11731	10.3
441.14005	4.9
442.14243	13.5
443.31485	4.0
445.16580	15.0
454.14334	11.0
456.15634	7.1
457.16577	55.0
458.17480	3.4
461.32809	5.6
469.16592	54.6
470.16840	6.2
472.15674	8.2
475.17450	15.1
487.17670	40.6
488.18173	4.9
505.19760	4.4
505.30698	34.6
505.35022	36.3
506.31396	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	505.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39901	1.2
56.55045	1.3
59.01383	100.0
69.62844	3.1
69.63244	4.7
70.29793	1.2
70.53110	1.2
71.01369	2.8
89.02496	2.2
98.22421	2.2
109.02982	1.4
113.02408	1.8
125.02454	4.8
147.04478	2.5
149.02408	1.7
150.03171	1.9
151.04028	3.7
153.05707	1.2
161.02451	18.7
169.01450	2.8
176.04776	11.4
179.03506	29.1
179.04961	2.4
191.07137	5.6
194.05844	32.9
195.06354	2.0
209.08192	98.4
210.08504	3.6
268.60361	1.4
360.14377	1.4
417.16135	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78111	0.4
55.01874	0.9
57.03448	3.6
58.47506	0.5
59.01375	3.2
67.01855	0.9
69.68722	1.7
71.01380	9.3
73.02955	3.2
73.45249	0.4
79.05512	2.4
81.03454	1.7
83.01395	3.7
85.02952	3.8
85.06597	3.7
89.02446	0.9
93.03468	0.9
95.01377	1.3
97.78131	0.4
98.22557	0.5
99.00873	1.0
99.04525	4.6
101.02448	5.0
108.02186	1.8
109.02960	6.3
109.06528	0.5
111.00874	1.5
111.04529	5.0
111.41431	0.4
113.02459	3.2
119.08677	0.5
121.02957	0.9
122.03732	0.8
123.00900	5.8
123.04527	22.9
124.01682	5.5
124.04906	0.6
125.02422	1.3
125.09707	2.2
127.07652	6.3
133.06609	1.3
134.03740	1.9
135.04556	6.1
136.01666	45.8
137.02475	8.5
137.06084	1.3
139.04060	0.7
146.03725	0.6
148.05296	1.6
149.06084	3.6
149.09723	6.4
151.04012	52.8
152.04326	1.3
160.05275	2.9
161.04576	2.5
161.06081	1.1
163.04015	1.4
163.07620	2.0
164.04788	2.0
165.05566	9.6
169.08691	0.8
173.06082	1.4
175.07643	7.3
176.08417	3.1
177.05429	0.6
177.09128	0.8
179.07074	0.6
191.05573	2.1
191.07161	3.3
191.10803	0.7
193.08701	39.2
194.09006	0.9
203.07130	0.9
205.08693	16.8
206.08939	0.7
211.09766	13.5
212.10030	0.7
247.09721	1.6
263.12839	0.5
293.34998	0.5
295.09781	3.0
296.10229	0.5
305.13983	8.4
306.14471	0.5
310.12158	3.7
313.10922	1.0
325.14380	3.0
328.13159	11.6
328.16891	1.0
329.13617	1.1
331.24847	2.2
333.17087	5.9
343.15500	100.0
344.15866	6.0
399.17993	2.3
403.67914	0.5
443.17175	7.0
444.17474	0.8
461.18005	1.2
504.34067	0.8
505.16901	1.6
505.31818	4.2
521.11902	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.7
57.01814	0.5
57.03427	0.6
59.01395	2.6
71.01388	6.5
73.02926	2.0
78.53812	0.5
83.01385	1.6
85.02959	3.5
89.02449	1.1
91.71621	0.5
95.01372	1.5
98.22634	0.9
99.00873	0.9
101.02451	3.6
108.02203	0.9
109.02956	4.2
111.00882	1.8
113.02438	2.2
121.02934	0.7
123.00878	8.3
123.04499	1.4
124.01704	6.1
134.03741	1.3
136.01677	38.7
137.02469	5.8
138.03224	1.0
139.00378	0.5
148.05324	1.9
149.06102	3.8
151.04018	44.4
152.04344	1.8
153.01907	0.6
160.05304	1.1
161.04582	2.3
161.06050	0.9
163.07646	1.3
164.04805	2.3
165.05591	9.9
173.06046	0.9
175.07617	5.5
176.08368	1.6
177.09193	1.3
179.07162	1.7
186.06845	0.6
188.04709	0.6
191.07124	4.0
198.31265	0.6
201.71577	0.5
203.07080	1.8
295.09720	2.4
295.13034	0.6
310.12100	2.8
313.10666	1.4
325.14471	2.2
328.13165	12.2
329.13449	0.9
343.15512	100.0
344.15948	7.0
354.11566	0.7
357.26468	1.2
504.33929	1.2
505.34760	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	505.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04045	0.8
54.13642	0.9
56.83867	0.8
57.03440	1.7
59.01382	8.2
70.45766	2.8
71.01035	1.2
71.01388	16.2
73.02957	3.9
78.08534	0.7
83.01389	1.2
85.02960	6.6
87.00901	1.1
88.88250	0.8
89.02450	3.3
95.01379	1.3
99.00910	1.2
101.02443	6.4
108.02201	1.3
109.02961	2.3
111.00889	1.3
113.02483	4.3
119.03485	1.0
121.02904	1.0
134.03720	3.0
136.01671	63.8
137.02486	9.5
148.05333	2.6
149.06071	3.2
151.04019	72.8
152.04329	2.2
157.62328	0.9
160.05258	2.5
161.04556	5.3
161.05962	1.6
164.04816	0.8
173.06081	1.1
175.07642	6.8
176.08430	4.1
186.06822	1.4
280.07263	1.3
295.09717	3.7
310.12189	4.8
325.14499	4.6
326.15088	1.0
328.13144	1.8
343.15524	100.0
344.15884	7.1
357.26385	0.8
413.67130	0.9
504.34454	1.3
505.34009	17.6
506.34894	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	1.1
57.03627	1.0
59.01242	7.0
59.01579	3.7
60.99207	0.7
69.78347	0.8
69.78717	0.9
71.01232	8.6
71.01672	2.9
73.02793	3.1
73.03230	0.8
79.39193	0.4
81.03313	0.5
83.01231	1.9
83.01765	0.9
85.02791	9.8
85.03365	2.1
86.85670	0.4
87.00737	1.1
87.01210	0.5
89.02284	4.4
89.02882	0.9
95.01234	1.4
95.01810	0.5
97.02827	0.5
99.00741	1.0
99.01334	0.5
101.02268	7.5
101.03014	1.2
103.96329	0.5
108.01991	0.8
109.02783	0.5
111.00783	0.8
111.04375	0.5
113.02268	5.6
119.03326	2.7
123.00754	0.9
123.04382	0.5
124.01543	1.0
125.02262	9.8
125.03240	1.0
136.01593	0.7
137.02287	1.0
139.03816	1.8
143.03323	0.6
147.58635	0.5
148.05115	4.0
149.06096	28.2
149.07195	1.7
150.06221	0.6
151.03850	0.8
156.20798	0.5
157.12199	0.5
159.02885	1.0
161.04591	4.1
164.04628	0.7
165.05443	0.9
173.05962	0.7
175.07541	1.1
177.09218	3.3
179.05386	0.9
187.07547	1.1
211.03877	0.9
213.05449	1.2
239.03352	1.5
241.12254	0.7
251.10631	0.6
254.05632	0.5
256.03702	0.6
257.04578	6.9
258.04984	0.6
265.05096	0.6
267.10104	1.7
269.11743	1.3
270.82611	0.5
271.05988	1.6
272.06915	1.0
280.07401	1.8
285.11340	0.7
295.09723	6.9
296.10172	0.9
310.12085	1.1
313.10825	7.4
327.12466	1.3
328.13168	49.6
329.13477	3.1
343.15512	100.0
343.28589	3.4
344.15869	7.6
367.30069	3.4
379.30295	1.0
395.29800	0.6
397.31287	2.8
399.29224	1.6
407.29874	0.7
425.31009	1.7
441.29874	0.6
443.31891	2.2
487.30688	24.1
488.31387	2.1
504.34256	1.1
505.33893	21.6
506.34375	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	505.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.7
57.03448	1.6
58.00588	1.3
59.01381	24.2
64.44386	0.7
71.01385	20.8
72.99306	1.6
73.02967	3.6
75.00857	1.5
83.01374	3.6
84.20031	0.7
85.02953	9.6
87.00887	2.4
89.02447	7.1
93.03474	0.7
95.01398	2.5
98.22524	2.0
99.00885	2.6
101.02457	10.4
103.00365	1.5
108.02183	1.1
109.02950	0.8
111.00892	1.1
113.02451	11.3
119.03503	2.6
121.02957	4.4
123.04530	1.8
129.01927	0.9
133.06697	0.7
134.03764	3.4
135.04527	3.2
136.01677	1.2
137.06100	1.5
137.98529	0.7
145.02983	2.1
149.06105	4.7
151.04028	1.4
161.04587	0.9
163.04033	0.8
167.07176	2.3
175.02472	2.4
207.54697	0.6
227.03389	0.7
243.02975	1.2
245.73468	0.7
251.26910	0.6
254.05804	1.7
269.08237	2.2
271.02469	13.1
271.05356	1.0
281.08215	1.5
282.08972	2.0
283.06186	1.7
283.09756	1.8
284.10712	3.7
285.03885	0.7
295.09680	2.9
296.10535	1.3
297.11267	6.9
298.12070	1.1
299.02005	24.2
299.12830	0.8
300.02216	2.0
310.12183	1.4
311.12656	1.8
312.10199	0.7
313.10760	5.5
314.04349	28.4
314.11694	0.9
315.04706	2.2
325.14471	2.1
327.12445	1.5
328.13165	10.5
329.06671	28.4
329.13586	4.9
330.06961	1.7
343.08435	1.1
343.11908	0.9
343.15488	19.2
344.15543	1.0
357.13589	2.0
391.97836	0.8
475.16180	2.3
487.26706	0.9
490.17975	3.4
505.20859	100.0
505.27301	5.1
505.33856	2.7
506.21136	10.4
506.28021	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77194	0.6
53.06054	0.6
55.01867	2.6
57.03438	1.2
58.00592	0.7
59.01389	19.8
68.08241	0.6
70.11531	0.7
70.11860	1.8
71.01048	0.7
71.01394	12.0
72.99306	1.7
73.02950	4.9
75.61824	0.8
75.68037	0.6
81.79214	0.6
83.01410	3.4
85.02974	7.0
85.67609	0.7
87.00872	1.5
89.02442	3.9
91.05545	1.6
93.03461	0.7
95.01387	1.4
98.21793	0.6
99.00890	1.7
101.02465	8.8
107.05044	3.7
108.02200	0.8
109.02939	1.9
110.24045	0.6
111.00886	2.6
113.02465	3.3
121.02953	2.1
123.89672	0.7
129.01947	0.8
135.04549	15.1
137.06117	5.8
145.02992	1.7
146.03731	1.5
147.04475	0.9
148.05301	1.4
149.06073	4.4
161.04637	1.2
167.07161	1.8
181.05096	8.0
195.06596	0.9
205.08728	0.9
216.81281	1.0
232.55142	0.7
254.05704	0.8
269.08212	1.0
284.10452	1.1
292.18323	0.7
295.09808	1.8
297.11459	3.5
298.08710	1.0
298.12100	1.2
313.10858	5.2
314.11664	0.9
325.10538	0.8
328.13086	4.1
329.13843	1.9
343.11829	26.8
343.15604	29.8
344.12091	1.5
344.15927	2.6
372.94733	1.1
385.12503	0.8
505.20847	100.0
506.21149	9.4
513.04846	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85149	1.0
59.01387	11.2
60.34233	0.9
69.13852	6.4
69.14247	1.6
71.01378	6.1
73.02950	1.6
79.01905	1.6
85.02966	2.9
87.00864	0.9
89.02452	3.0
90.86861	0.9
93.03465	39.5
94.03824	1.2
95.01397	1.8
101.02454	3.3
108.02177	1.8
109.02960	1.8
111.00875	3.9
113.02451	2.0
121.02977	1.7
134.41907	1.0
135.04547	2.0
136.01680	7.6
136.05353	1.4
137.02458	100.0
138.02809	2.0
138.06908	1.6
145.02948	2.3
151.04034	3.3
151.07649	1.4
152.08405	3.2
153.09224	3.7
163.04010	2.0
163.11317	1.8
179.03508	21.5
205.12355	6.7
223.13431	1.6
239.05594	8.0
268.07364	1.2
281.06619	5.4
283.09628	1.2
329.06674	21.2
330.07108	2.3
343.11557	1.1
505.20895	96.7
506.21176	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	505.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.8
55.31989	1.3
57.03442	2.3
58.86182	1.5
59.01382	34.9
69.44938	8.5
71.01382	23.9
72.99284	1.8
73.02951	5.0
83.01423	3.8
85.02946	9.4
87.00903	3.7
89.02451	11.5
93.12728	1.4
96.16422	1.6
99.00926	2.1
101.02434	14.7
101.02927	1.3
108.02177	2.8
109.02950	32.9
111.00896	3.1
113.02444	7.7
119.03516	4.0
121.02960	3.4
123.04536	3.3
125.02480	1.7
137.02431	2.3
137.09758	2.4
150.95325	1.6
151.04045	2.2
152.01176	12.4
153.01945	31.8
159.04425	2.5
162.06842	1.7
173.06068	3.3
195.02997	56.8
231.99690	1.4
241.05075	6.5
255.05061	94.3
256.05469	1.8
267.10306	2.5
268.07529	3.4
283.09763	4.4
284.10690	1.8
295.09821	10.5
297.11267	3.0
310.12146	2.8
312.99905	2.4
313.11002	4.3
315.07565	1.9
325.14551	4.6
328.13092	22.1
343.05011	3.9
343.11847	25.4
343.15610	51.5
344.15936	4.0
505.20929	100.0
506.21161	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	505.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	2.1
59.01134	1.7
59.01387	20.9
67.02534	1.3
71.01391	16.5
73.02946	4.9
83.01401	2.2
85.02955	5.9
86.26706	1.2
89.02471	6.5
93.03466	43.0
95.01367	2.8
98.21794	3.0
99.00864	1.7
101.02439	7.6
108.02182	6.9
109.02968	20.3
109.06625	1.9
110.28658	1.2
111.00890	1.6
113.02454	5.9
117.05643	1.3
119.03477	1.8
121.02952	3.2
123.00877	3.4
123.04535	5.8
125.02467	1.8
135.04527	4.8
136.01715	10.2
136.05351	2.0
137.02460	97.5
138.02797	4.1
138.06874	1.9
139.11295	2.1
149.02394	2.5
150.03220	2.2
151.03966	6.1
151.07687	1.7
152.08452	4.7
153.01924	1.4
153.09212	3.1
155.10806	4.6
161.04538	1.9
161.09818	1.5
163.03987	2.7
165.05536	1.8
169.01405	1.3
173.06119	1.7
175.00391	1.6
175.07639	3.3
177.01971	16.0
177.25183	1.3
179.03505	24.1
181.12413	2.4
183.10229	3.8
189.09238	1.7
190.02740	2.7
191.07146	4.1
192.61389	1.2
199.09758	1.7
205.05077	2.8
205.12321	9.4
209.04581	3.4
209.08278	1.8
219.06650	2.0
225.11446	3.7
227.07121	2.2
239.05605	13.5
243.12369	2.3
258.20074	1.3
269.04602	2.7
281.06778	4.6
283.02847	2.1
283.06299	1.3
283.09668	1.8
285.04166	4.2
285.13626	1.5
295.09644	3.0
299.12726	2.3
310.12021	7.5
312.99960	2.0
313.03549	2.6
314.04416	4.5
325.10959	3.1
325.14529	8.3
327.05234	1.4
328.02426	1.8
328.05948	3.7
328.13202	2.4
329.03021	4.4
329.06772	5.0
343.04419	2.6
343.08224	15.8
343.11945	32.7
343.15570	4.2
344.12228	1.9
345.15540	3.0
353.12759	1.9
355.92041	1.4
373.22449	1.5
417.43893	1.5
504.34042	2.6
505.21072	100.0
505.33643	12.6
506.21289	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	505.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92444	0.9
59.01378	13.2
69.02701	8.1
71.01377	6.6
72.99350	1.0
83.01387	1.4
85.02959	2.7
89.02470	2.7
93.03463	42.1
95.01417	3.0
101.02453	3.6
107.05058	1.8
108.02190	2.4
109.02957	1.7
113.02452	3.3
121.02958	1.3
123.04559	2.8
125.02456	2.0
134.03764	2.2
135.04535	3.1
136.00728	1.7
136.01672	19.0
137.02452	100.0
138.02837	2.0
149.02480	2.7
151.04039	8.2
153.01918	1.0
163.39055	0.9
168.38425	0.9
169.01382	2.3
178.02745	1.6
179.03502	78.9
180.03925	2.8
193.05013	1.2
209.04562	29.5
233.04462	1.1
239.05614	91.9
240.05948	3.1
275.08237	1.1
297.06180	1.6
299.07724	10.9
505.16998	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2236
Annotation	Macaranone A
Peak:m/z	Relative Intensity
58.44807	0.5
59.01377	0.7
61.99706	0.4
67.01900	1.1
68.99822	0.4
69.24348	2.7
78.95891	1.0
81.03474	0.5
83.01380	0.9
93.03480	0.8
95.01389	2.3
98.22657	0.4
107.01372	0.6
108.02179	1.8
109.02962	7.1
111.00882	3.2
111.04506	1.2
113.47800	0.4
121.02970	5.5
123.00890	11.5
123.04552	1.3
124.01684	8.4
125.02489	0.5
125.06110	0.6
134.03755	1.3
135.04541	2.3
138.03239	1.2
139.00403	0.7
145.02942	0.9
147.04564	0.6
147.34801	0.4
149.06068	2.2
152.01128	0.5
152.99570	0.8
153.01953	0.6
162.03284	1.1
163.04036	1.8
164.04782	3.5
165.05583	17.5
165.09219	0.6
166.05881	0.5
174.06860	0.7
177.05614	0.9
179.07156	1.2
181.08691	0.9
183.06578	0.5
184.06940	0.4
189.09259	0.7
190.06476	0.7
191.07166	5.1
195.06534	0.7
203.07195	0.5
205.08749	0.5
209.08296	2.1
223.06088	1.4
223.09778	0.5
224.06589	0.5
225.07605	1.3
235.06058	1.0
263.05466	0.6
268.07367	1.0
269.08301	1.3
271.09860	0.9
275.13025	1.0
277.08643	0.6
277.21747	2.9
278.09384	0.9
281.07990	0.6
284.10437	0.7
294.08945	1.2
295.09750	4.5
296.10614	2.2
297.11313	2.1
309.11191	1.1
310.12088	3.4
311.10114	0.3
311.12924	8.4
312.13412	0.9
324.13843	0.6
325.14410	4.8
343.19052	2.9
367.15579	1.2
453.94553	0.5
457.16409	0.5
459.19156	0.5
460.15103	0.9
475.17685	4.9
476.18277	0.7
489.19113	1.3
490.19794	2.9
504.34250	0.5
505.22348	100.0
505.34760	3.8
506.22754	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	505.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03467	1.7
58.00584	1.8
59.01093	2.9
59.01385	56.1
69.59340	6.9
71.01389	33.8
72.99337	1.8
73.02956	14.3
73.35745	1.6
83.01402	9.8
85.02962	13.8
87.00897	2.2
89.02466	7.6
93.03500	4.0
95.01413	2.3
96.96034	3.6
97.02930	3.0
98.22702	1.9
99.00882	7.5
101.02451	37.1
109.02979	3.9
113.02451	16.7
119.03510	1.8
121.02995	1.8
121.24054	1.8
123.04539	1.9
125.02496	9.3
134.03746	1.7
137.02417	8.5
143.03511	2.2
149.02522	2.2
149.06108	2.7
151.04025	2.4
153.01973	5.3
159.03136	2.5
159.04532	9.3
159.19557	1.7
161.04579	18.1
163.06226	2.3
165.01961	4.9
167.03490	2.6
168.04280	3.8
169.01384	2.1
175.07549	2.7
179.03535	4.9
181.06549	2.0
193.05070	2.6
201.05580	9.4
210.18372	2.0
225.05679	2.2
239.05594	4.8
243.06635	100.0
244.07051	5.5
290.03564	1.8
299.15009	45.5
300.15436	1.8
445.20789	94.0
446.21121	7.2
505.17230	15.0
505.31726	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	505.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18264	1.8
52.06108	1.7
55.01886	1.9
57.03461	1.9
59.01091	2.9
59.01388	60.1
68.16569	1.6
71.01388	32.7
73.02956	13.5
83.01398	10.0
85.02959	19.1
89.02463	6.3
93.03498	2.4
95.01402	2.7
96.96049	5.7
99.00918	4.8
101.02454	36.5
103.04094	1.8
109.02949	3.3
112.99323	1.4
113.02463	13.9
121.02920	1.9
123.04505	2.5
125.02480	5.2
133.02974	4.6
135.04553	3.6
137.02444	8.6
143.03459	2.4
149.02412	2.4
149.06241	1.5
150.03268	2.4
153.01938	2.9
157.06729	1.7
159.03128	3.3
159.04538	9.6
161.02496	7.7
161.04558	16.9
165.02036	3.1
167.74748	1.5
168.04277	3.9
169.01454	1.9
170.04642	1.7
172.05237	2.1
173.06128	2.2
175.07687	4.4
179.03471	3.2
181.05144	2.6
183.06693	6.1
193.05121	2.7
199.07678	3.7
201.05592	11.2
205.03496	1.5
211.46402	1.7
225.05664	3.3
229.37247	1.7
239.05521	2.1
243.06642	100.0
244.07005	5.6
272.69449	1.9
273.15314	1.7
288.17331	1.6
299.15021	48.1
300.15536	2.5
314.29565	1.7
387.11108	1.8
445.14554	4.2
445.20795	98.4
446.21121	6.3
505.16968	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	505.3023
Annotation	Ile-Leu-Val-Tyr
Peak:m/z	Relative Intensity
57.03448	1.6
59.01385	9.9
69.03449	1.1
71.01392	15.4
72.99300	4.0
75.00878	17.7
82.62528	1.0
85.02958	15.2
87.00877	4.4
89.02464	3.1
95.01392	3.7
99.00891	8.4
103.00359	1.2
113.02466	25.0
115.00386	1.8
117.01964	2.4
129.01953	1.1
129.74187	0.8
157.01364	1.6
175.02472	3.1
205.07214	1.1
230.45891	0.9
231.05066	1.9
249.06195	17.7
255.23311	100.0
256.23672	4.0
267.07239	2.7
377.02722	0.8
445.27631	1.1
447.29965	1.1
472.10748	1.0
487.29309	3.0
505.30237	88.7
506.30524	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	505.3028
Annotation	Ile-Leu-Val-Tyr
Peak:m/z	Relative Intensity
57.03441	2.5
58.00600	1.5
59.01390	14.0
61.43639	1.4
68.84362	1.0
71.01385	17.3
71.28545	1.5
71.41582	1.3
72.99332	5.8
73.02914	1.0
73.52644	1.0
75.00876	15.7
76.34132	1.0
83.26950	1.0
85.02951	16.5
87.00883	6.7
89.02450	4.9
95.01398	4.4
99.00874	9.2
101.02435	1.5
103.00385	3.1
111.04549	1.3
111.96078	1.0
113.02465	30.3
113.73277	1.1
115.00386	1.9
117.01957	2.1
118.44457	1.1
129.01903	1.5
131.53151	1.1
169.03058	1.1
175.02434	3.1
205.07153	2.5
207.43379	1.1
247.07632	1.1
249.06143	5.5
255.23299	78.5
256.23663	3.8
267.07147	7.0
377.40973	1.5
487.28995	1.8
505.21564	4.3
505.30212	100.0
506.30347	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	505.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
69.31708	100.0
70.08190	17.3
83.61207	18.7
99.28889	19.3
122.88258	18.5
159.07001	19.3
169.41118	16.6
203.98758	18.0
257.68488	18.7
330.76196	17.5
505.33331	19.8
505.94662	17.3
512.60529	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.309
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48391	11.1
67.37840	9.8
70.86565	18.6
71.01377	18.0
72.64181	12.9
72.99313	14.9
73.31665	10.0
75.00858	14.0
85.02935	17.2
98.92816	10.2
113.02464	16.6
124.16932	11.6
188.91873	11.8
209.05014	11.3
249.05928	13.9
255.23262	69.6
310.47137	14.3
318.95883	10.9
425.34354	73.8
469.33237	85.1
495.76358	11.0
505.29706	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	505.3176
Annotation	Iriomoteolide 1a
Peak:m/z	Relative Intensity
57.03434	2.1
59.01373	2.2
69.03443	0.8
70.63805	1.2
71.01369	1.7
71.05022	0.7
73.02949	6.9
75.00870	0.8
81.03436	0.8
83.05047	0.8
85.02938	2.0
93.03470	0.6
97.02924	0.8
99.04507	1.0
101.02467	0.6
109.06578	2.3
111.08156	1.1
112.15971	0.6
123.04520	3.6
123.08134	0.7
125.02415	1.0
135.04547	1.1
137.02444	0.7
149.09732	8.0
151.11284	1.3
161.09721	1.9
167.03519	10.4
167.14462	1.4
176.46739	0.7
177.12804	0.6
181.05118	0.7
191.03497	2.0
203.43213	0.6
209.04492	1.1
219.06563	1.4
241.63390	0.6
301.21667	1.5
313.03391	0.7
313.21753	3.0
329.21509	0.6
329.24927	5.4
333.69446	0.7
343.11957	1.3
367.26370	0.8
373.23639	1.1
387.25458	2.9
401.26926	0.6
403.28589	3.5
429.26215	1.2
447.27420	11.3
448.28073	1.4
461.32867	0.8
505.31653	100.0
506.31882	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	505.3178
Annotation	Iriomoteolide 1a
Peak:m/z	Relative Intensity
52.51482	0.9
57.03432	1.4
59.01359	3.9
60.74968	0.9
69.75154	0.8
70.28852	2.6
71.01362	2.0
71.05006	3.5
73.02907	0.9
84.74503	0.8
85.02974	1.0
90.11584	0.9
97.47205	1.1
99.04491	1.3
109.06541	1.6
111.08186	1.5
116.92823	1.0
127.07641	5.3
134.48886	0.8
134.72630	0.9
139.36971	0.9
165.97125	0.9
189.12798	1.9
299.20129	2.1
383.92947	1.0
391.26175	1.4
399.32764	1.7
409.27283	1.6
427.28085	2.1
443.31702	25.7
444.31912	2.2
461.33041	9.9
478.99127	1.0
487.30634	7.6
505.31635	100.0
506.31833	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	505.3553
Annotation	Sodwanone L
Peak:m/z	Relative Intensity
54.47945	0.7
57.03441	3.2
59.01384	9.8
61.98817	2.8
69.92162	2.4
70.50127	0.7
71.01378	2.2
73.02938	2.2
75.36281	0.8
85.02952	27.0
86.03271	6.3
87.03377	2.5
92.56657	0.8
97.06567	1.0
98.21801	0.8
108.02262	1.0
109.02919	0.9
111.04530	1.0
111.08118	0.9
112.54722	0.8
119.05015	0.9
135.01358	0.9
151.04002	1.0
153.09134	1.0
164.97272	0.8
179.07210	0.8
181.08672	1.8
209.08028	0.8
225.14803	0.9
357.27417	2.4
359.28958	2.1
375.28275	2.4
383.29553	0.8
385.31064	0.8
397.31116	0.9
413.30573	1.9
415.31976	2.8
419.07648	0.9
425.30756	1.2
427.32806	0.9
429.33545	2.2
443.31659	2.3
445.29373	2.6
461.32184	6.6
487.30493	2.6
505.19498	2.5
505.36017	100.0
506.36276	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	505.354
Annotation	Lycernuic acid D
Peak:m/z	Relative Intensity
53.79567	0.5
54.25824	0.4
59.06879	0.5
69.88432	1.0
69.88817	1.6
81.78015	0.5
87.04526	5.5
91.34492	0.5
147.09782	0.5
161.02496	0.9
163.44839	0.5
185.71486	0.5
205.88150	0.5
221.86647	0.5
309.36536	0.5
327.23276	1.0
339.26923	2.4
393.17508	0.5
411.28961	2.5
427.32169	10.7
428.32532	0.9
443.35312	30.4
444.35770	3.1
461.36478	9.7
462.37109	1.0
487.34360	5.4
505.35431	100.0
506.35788	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	505.3538
Annotation	Lycernuic acid D
Peak:m/z	Relative Intensity
57.03456	0.8
71.30270	0.9
81.07104	1.2
87.04522	2.7
105.11788	0.7
108.57996	0.7
115.28461	0.7
136.53383	0.7
226.85124	0.8
240.23653	0.8
317.71555	0.9
327.23303	5.4
339.26880	1.0
351.13611	0.8
411.29102	3.3
427.32266	10.0
429.88046	0.8
443.35333	27.4
444.35715	3.3
461.36432	9.9
487.34268	7.6
505.35416	100.0
506.35593	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	505.3533
Annotation	Lycernuic acid D
Peak:m/z	Relative Intensity
50.96933	1.1
57.03449	1.3
58.89968	1.1
59.01400	1.8
61.98838	1.5
69.08895	9.9
82.48551	1.2
109.31883	1.5
135.90956	1.1
147.24695	1.3
160.86917	1.2
229.40570	1.3
312.75748	1.2
327.23441	5.3
383.29660	2.1
388.94312	1.5
411.29138	2.1
427.32260	5.5
443.35361	21.1
444.35678	3.2
461.36670	8.4
462.36859	1.5
469.33325	14.2
470.33459	2.2
487.34622	4.8
488.34204	1.4
505.35587	100.0
506.35907	10.5
532.23663	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3547
Annotation	Sodwanone L
Peak:m/z	Relative Intensity
57.03463	4.7
59.01368	6.3
60.39402	2.8
61.31133	2.6
61.98852	3.3
67.05178	2.6
69.02102	6.6
69.02507	17.0
71.01380	10.5
73.02948	64.4
97.24619	2.7
112.91609	3.0
137.41270	3.3
162.83878	3.4
175.03952	3.5
318.23972	3.7
413.30530	5.2
417.29532	3.6
443.31641	4.0
446.30325	9.5
457.33316	37.3
458.33344	4.1
487.33710	9.0
505.36124	100.0
506.35983	5.8
512.48572	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	505.3541
Annotation	Gymnemagenin
Peak:m/z	Relative Intensity
57.03444	1.6
59.01379	6.0
69.03447	1.1
69.04774	2.0
69.05177	6.3
71.01384	7.0
73.02952	84.4
83.14349	0.8
94.56582	1.1
98.05931	0.9
111.04539	1.9
181.08659	1.5
181.43375	0.9
181.48460	0.9
183.06641	2.5
225.07765	5.9
279.08652	1.1
291.80222	0.9
383.29861	1.7
385.31024	1.4
387.32654	2.2
411.28806	1.7
413.30508	3.5
413.35382	4.6
425.34464	2.1
431.31702	3.2
443.35443	3.2
446.30408	9.8
457.33267	98.4
458.33743	10.0
487.34216	6.7
505.35504	100.0
506.35727	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	505.3541
Annotation	Sodwanone L
Peak:m/z	Relative Intensity
55.52662	0.9
57.03448	1.2
57.62315	0.8
59.01364	1.6
61.98797	0.9
68.01105	0.8
69.19775	5.0
70.18879	0.8
71.01375	1.3
71.05066	0.9
72.24613	0.7
73.03000	0.8
81.07068	2.0
83.05049	1.0
95.56317	0.8
97.32145	0.7
111.08164	0.8
123.08176	1.2
140.17281	1.0
175.04019	1.9
189.12950	1.1
197.66670	0.8
301.21805	1.0
311.20084	3.0
327.19733	1.1
327.23328	14.3
328.23901	1.4
343.26425	17.3
344.26852	1.0
345.20584	0.8
361.06699	0.9
361.27365	0.8
387.25485	2.1
399.85300	0.9
402.53140	0.9
407.29453	1.0
427.31973	2.0
443.36142	1.4
461.36993	9.5
469.29361	1.6
486.54675	1.1
487.34134	3.7
505.35788	100.0
506.35995	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	505.3546
Annotation	Sodwanone L
Peak:m/z	Relative Intensity
50.77145	0.3
52.04511	0.3
58.00601	1.1
59.01376	1.2
62.05078	0.3
69.24026	2.2
71.01384	2.3
73.02952	9.7
85.02948	0.8
87.00885	0.3
89.02492	0.3
101.02471	0.8
113.02486	0.5
115.93885	0.4
149.06100	3.9
161.04591	0.3
168.60223	0.3
191.51894	0.4
223.09729	0.4
339.27158	0.8
343.28452	1.2
355.30142	1.8
369.31622	0.3
383.29865	0.5
385.31335	1.1
393.31592	0.5
399.29190	0.4
413.30936	0.8
415.32535	1.2
423.33087	0.4
431.31830	1.5
443.31616	1.1
445.33435	1.8
452.14996	0.4
457.33716	0.4
487.35052	0.4
505.35516	100.0
506.35818	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	505.3541
Annotation	Sodwanone L
Peak:m/z	Relative Intensity
54.83858	0.4
57.03444	0.4
58.00588	0.6
59.01376	1.2
69.11734	3.3
71.01379	0.9
73.02956	5.9
85.02962	0.5
87.04520	0.4
88.15077	0.4
89.75377	0.4
121.02947	0.5
123.04588	0.6
135.04549	0.6
135.72009	0.4
141.60599	0.4
181.08795	0.5
191.02011	0.4
285.31448	0.5
339.26987	0.7
352.74078	0.4
355.30399	0.6
383.29813	0.5
385.31268	1.0
386.32205	0.5
415.32077	1.0
431.31903	1.1
443.31671	0.6
445.33658	0.7
457.32840	0.9
461.16168	1.1
475.13760	0.5
496.15170	0.5
505.20111	4.0
505.35532	100.0
506.19391	0.6
506.35742	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3545
Annotation	Sodwanone L
Peak:m/z	Relative Intensity
57.03440	3.9
59.01379	4.7
61.98818	1.9
64.50871	1.2
71.01385	3.8
71.28676	1.7
73.02957	10.6
73.66781	1.3
87.04513	1.3
123.04514	1.3
137.32967	1.4
163.04018	1.4
312.59656	1.7
413.34390	2.2
443.31500	1.6
461.32809	2.2
487.34445	4.2
505.35831	100.0
506.36127	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	506.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	4.8
61.98834	100.0
71.01383	3.7
81.36225	1.1
85.02970	1.6
89.02467	2.2
101.02464	2.6
109.03029	1.3
119.03550	1.2
121.02959	1.9
125.02460	10.5
128.25159	1.3
137.02400	1.6
154.16397	1.2
161.02417	1.2
167.03615	1.3
169.01416	4.7
177.01930	5.0
204.36578	1.1
243.03006	2.9
275.02002	1.3
300.32062	1.2
313.05554	1.3
443.19250	16.3
444.19821	1.8
506.06201	2.9
506.13129	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	507.1144
Annotation	Moghanin A
Peak:m/z	Relative Intensity
51.87723	0.8
59.01389	7.2
66.94408	0.7
67.01904	0.9
69.03471	1.9
69.17399	5.7
71.01387	7.3
72.99305	2.6
73.02937	1.8
79.01892	1.0
83.01389	1.6
85.02939	2.9
87.00868	1.0
87.86472	0.7
88.98827	0.7
89.02441	3.1
89.11208	0.8
93.03472	1.2
95.01423	2.3
97.02978	1.5
101.02448	4.1
107.01396	8.8
109.02980	2.0
111.00911	1.3
113.02471	3.3
120.99672	12.3
121.05083	0.9
123.00903	7.9
124.01720	1.1
125.02457	57.6
134.03758	25.2
135.04497	3.2
136.98761	1.1
137.02435	5.0
137.09734	1.7
137.52878	0.8
139.00334	3.9
139.03999	1.6
139.11276	1.0
140.01180	1.9
141.01933	1.3
149.06090	10.3
151.00386	6.8
151.03975	1.6
161.02411	1.0
161.96457	0.7
163.04066	1.0
163.07671	1.3
165.01945	0.9
168.00647	3.6
169.01451	75.5
170.01810	1.4
175.04073	0.9
178.02754	17.0
179.03450	2.5
181.05099	3.4
182.05809	1.0
183.02934	1.8
183.06685	1.9
183.10294	2.7
193.05093	24.6
194.05472	0.8
197.11832	1.7
211.02487	1.8
225.11305	2.0
241.03534	0.9
243.12289	1.1
283.10162	1.0
283.65851	0.9
313.05673	30.8
314.06064	1.4
327.07553	1.5
327.12280	2.2
345.13574	2.2
414.18741	0.9
463.12408	12.8
464.12857	1.2
474.15149	1.2
477.17813	1.5
489.10254	2.5
489.17572	3.4
507.11453	100.0
507.20508	8.9
508.11813	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.1
59.01383	5.9
69.03451	0.7
69.25672	4.8
71.01099	0.6
71.01395	6.3
73.02927	1.1
81.03461	1.0
83.01389	1.3
85.02939	2.8
89.02454	2.4
95.01426	1.7
97.02952	1.2
101.02435	2.1
107.01388	9.7
110.00120	0.9
111.00865	2.7
111.02804	0.8
113.02437	2.7
120.99654	1.6
121.02971	1.8
123.00889	9.4
124.01646	1.2
125.02450	59.4
126.02782	1.5
134.03748	26.0
135.04501	3.0
136.98834	1.2
137.02458	5.3
139.00368	2.8
139.04018	2.5
140.01161	2.6
141.01990	0.9
145.02913	0.9
149.06078	8.0
150.03188	0.9
151.00354	6.9
151.03987	1.4
153.01895	1.5
161.04568	1.8
165.01952	0.9
167.07175	1.2
168.00653	3.7
169.01430	73.2
170.01657	1.3
178.02724	18.1
179.03552	4.0
179.05634	1.2
183.10214	0.9
193.05066	23.2
193.06799	1.6
211.02466	1.1
236.75911	0.9
237.05708	0.8
241.03458	1.9
256.11038	1.9
267.06693	1.5
269.08344	0.9
284.10217	1.2
295.09814	1.5
296.10559	3.3
297.11270	1.6
300.09995	6.9
311.09305	4.1
312.10010	8.7
313.05655	49.0
314.06073	2.5
315.12366	13.1
316.02219	1.8
327.12396	24.5
328.12604	1.5
331.04636	3.8
341.10965	0.9
345.13501	3.6
350.27191	0.8
396.41275	0.8
463.12454	3.3
477.17813	1.6
489.17737	1.1
507.11462	100.0
507.18182	4.2
508.11740	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	507.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83049	0.4
57.03439	1.4
59.01098	0.5
59.01386	8.3
61.98819	0.6
67.01871	1.3
68.99844	0.7
69.03446	1.3
71.01385	6.1
72.99296	1.0
73.02930	1.7
79.01872	0.4
79.05527	1.5
81.03458	1.8
83.01382	1.1
85.02955	2.4
87.00886	1.9
87.04516	0.5
88.98830	0.5
89.02446	3.3
93.03445	0.6
94.68166	0.5
95.01394	1.6
97.02966	1.2
99.00819	0.5
101.02436	3.4
105.03485	2.4
107.01395	6.2
108.02169	1.1
109.02957	1.4
111.00884	4.2
113.02464	3.2
119.03497	1.1
120.99663	3.0
121.02963	1.9
122.03737	1.3
123.00896	6.6
123.04534	20.1
124.01679	1.0
125.02457	42.9
126.02808	1.1
127.00369	0.7
134.03735	1.4
135.04552	1.6
136.01649	1.4
136.98763	0.6
137.02454	2.7
137.09711	0.6
139.00368	2.4
139.04034	0.9
139.11285	0.9
140.01184	1.7
141.01968	0.9
145.02975	0.6
147.04523	1.1
149.02422	3.5
149.06107	1.7
149.09723	3.1
150.03229	0.7
151.00388	6.7
151.04031	2.5
152.01129	0.6
153.01891	0.8
155.10840	2.1
160.05389	0.5
161.02444	0.8
161.04608	0.9
161.06003	0.9
163.04034	0.5
164.04794	0.5
165.01950	0.8
165.05560	1.0
167.03493	1.8
168.00644	2.6
169.01439	55.7
170.01738	1.9
175.07674	0.7
179.03490	0.9
179.05679	0.5
180.04279	1.0
181.04948	0.4
181.12288	0.5
183.10266	2.3
191.03506	0.6
191.07074	0.6
193.08704	37.6
194.09044	1.4
195.06609	1.5
199.09758	0.7
205.05128	1.1
211.02461	2.2
229.04987	0.5
236.45609	0.4
240.04350	0.5
241.03436	1.0
243.12286	0.6
252.08028	0.5
254.05943	0.8
266.09543	0.5
269.08115	1.0
270.08957	1.3
283.09756	0.6
284.10483	0.6
285.11166	0.7
293.08200	0.8
294.08990	1.8
297.11359	0.9
309.11331	3.8
311.09262	1.3
312.10065	1.7
313.05658	30.6
314.05939	1.2
315.12445	1.7
317.15945	0.6
326.11612	1.7
327.08664	1.2
327.12360	10.8
328.12811	0.7
345.09726	0.6
345.13437	8.1
346.13879	0.7
392.30759	0.5
431.89804	0.4
489.18045	1.7
507.15030	100.0
507.20795	5.1
508.15372	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	1.7
58.57979	1.6
59.01379	17.3
63.13128	1.2
69.03424	1.8
69.08713	6.8
69.09119	4.6
71.01389	13.5
73.02945	3.2
75.00856	1.3
79.01897	2.0
83.01404	3.8
85.02939	7.6
87.00931	2.5
89.02443	4.3
93.03484	2.1
95.01399	1.9
96.06093	1.4
97.02985	1.7
97.67699	1.7
99.00870	2.5
101.02418	6.7
107.01402	6.4
107.08662	4.3
108.02202	4.1
109.03004	1.6
111.00889	3.3
113.02459	6.8
119.03468	1.7
121.02940	3.0
121.06582	1.3
123.00909	5.8
123.04546	6.9
125.02461	42.1
126.02776	2.1
133.02928	3.5
135.04573	2.4
137.02438	4.8
139.00414	2.7
140.01204	1.5
148.05315	1.7
149.02484	1.7
149.06099	17.3
149.09682	3.9
151.00389	5.4
151.07669	10.4
153.01945	2.8
161.02461	12.8
161.04562	2.2
163.04008	3.3
164.04788	4.6
165.05644	8.0
165.09239	3.0
168.00685	3.6
169.01443	57.1
175.07698	1.6
177.05489	2.2
179.03531	3.0
179.07077	3.1
183.10358	2.5
193.08717	34.3
193.10368	2.9
194.09055	2.1
200.04813	4.7
210.03252	2.1
211.02342	1.6
211.04097	3.4
227.03590	2.6
228.04286	26.2
229.05019	10.8
243.06621	47.4
244.07204	4.7
257.04614	1.6
257.08154	2.8
258.04932	1.7
258.08936	6.2
269.04480	2.7
271.09744	5.4
285.04056	3.5
286.04260	4.3
287.04626	4.2
297.11325	1.8
313.05661	28.6
314.04276	8.7
315.04712	10.4
315.12451	3.6
316.04834	12.8
323.07675	3.0
327.12347	2.9
329.06625	6.1
330.07089	7.4
330.14767	9.2
331.07260	17.0
345.13345	24.6
345.17157	20.8
346.13501	1.9
447.22925	1.9
465.14145	2.0
471.84918	1.7
507.14996	100.0
507.22421	80.4
508.15317	9.0
508.22781	9.0
526.83160	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
58.54387	2.6
59.01383	100.0
65.23336	2.1
69.17705	13.9
71.01386	28.0
73.02961	7.7
73.64443	2.1
78.72125	2.7
80.82879	2.0
83.01393	4.1
85.02952	15.6
87.00917	3.7
89.02456	18.3
91.01891	2.3
93.03468	34.6
95.01411	4.6
101.02439	18.5
108.02195	6.2
111.00884	3.1
113.02433	15.1
119.01396	3.7
119.03541	5.1
121.02931	2.6
123.00893	13.1
123.04527	5.2
124.01667	23.3
125.02443	5.5
125.03284	2.8
132.02191	6.6
134.03767	5.8
135.04568	6.0
136.01660	9.7
137.02455	77.4
138.03188	3.7
139.00392	9.3
139.04025	10.4
139.11302	12.8
147.00874	4.6
147.89780	2.1
149.02475	8.3
150.03255	6.1
151.03990	3.5
153.01970	3.6
154.02715	5.5
160.01672	26.2
161.04539	2.3
163.04030	5.1
163.11307	6.5
164.04791	7.2
165.05573	2.9
169.05148	2.9
175.00380	26.3
175.04015	32.3
176.01096	3.9
179.03510	30.7
179.07089	2.9
181.12314	3.5
183.10313	21.5
186.03131	3.3
190.02734	55.2
191.03481	6.9
193.05141	5.3
195.06502	2.9
197.30310	2.4
205.05078	67.7
207.10341	11.7
208.07384	3.1
209.04602	7.7
209.08182	4.9
214.02686	20.1
221.08301	3.9
223.06143	9.2
229.05048	35.0
239.05653	14.1
244.07405	32.6
280.43423	2.7
308.44437	2.5
337.09579	10.9
345.13388	21.8
367.10385	14.0
369.15634	5.2
387.16638	84.8
388.17007	3.7
393.85681	2.6
447.16760	6.8
475.37430	2.2
507.19302	68.6
507.24969	22.7
508.18558	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	507.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84063	0.9
52.13542	0.9
57.03439	1.5
59.01383	16.1
65.09777	0.8
71.01389	10.7
71.29829	1.0
73.02943	3.0
83.01386	2.0
85.02961	4.7
87.00908	1.1
89.02442	5.7
91.01885	1.2
93.03452	1.8
94.23075	1.0
95.01408	4.9
97.02988	1.2
101.02427	6.4
109.02981	1.2
110.17552	0.8
111.00905	1.9
113.02432	5.3
117.03465	0.9
117.95287	0.8
119.01395	7.2
119.03481	1.0
121.02946	4.8
123.00893	45.1
124.01679	35.7
125.02534	5.9
133.02948	1.0
134.03741	1.9
135.04555	3.9
136.01669	1.7
137.02455	4.2
137.99738	0.8
138.03227	14.1
139.00378	1.4
139.04018	15.9
139.11322	5.3
147.00905	5.9
147.04587	1.6
148.01607	1.7
149.02434	18.7
149.99593	2.6
150.03294	5.2
151.04025	3.0
152.01173	3.9
152.04395	0.9
153.01968	1.1
153.05473	1.5
155.10793	2.1
160.01689	1.3
161.02460	3.7
161.04588	2.4
161.77280	0.8
162.03043	1.5
163.04004	7.9
164.04808	11.7
165.01877	2.3
165.05560	4.2
166.02716	1.2
167.03445	1.3
168.00700	4.4
169.01466	1.6
175.00374	39.9
175.03937	1.4
176.01152	11.9
177.01891	1.4
177.05528	1.4
179.03522	2.1
179.05731	0.9
179.07175	2.4
180.06807	0.9
181.05034	3.3
181.12437	1.4
182.05862	1.2
183.10297	5.5
189.01775	1.0
190.02728	100.0
191.03487	24.9
192.04063	0.9
193.01398	1.4
194.02345	1.2
205.05063	99.2
206.05489	2.5
208.03793	3.2
209.04448	4.9
209.08182	1.7
223.06097	14.4
251.05667	1.3
259.02594	1.5
287.01953	6.6
315.01526	7.6
315.12305	2.4
326.54089	1.0
330.03741	4.3
337.09427	1.9
345.06247	12.6
345.13330	11.0
353.08838	11.2
354.09210	1.3
367.10309	25.2
368.10672	1.9
373.31995	0.9
492.12662	1.9
507.14996	77.2
507.24249	14.9
508.15326	6.8
508.23715	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16344	0.7
57.03446	0.8
59.01381	11.4
61.63198	0.7
61.98836	0.9
67.01917	1.7
69.03454	2.4
69.47106	3.8
71.01386	11.0
72.99294	1.3
73.02948	2.6
75.00897	0.7
75.23015	0.7
75.47595	0.7
76.24516	0.7
81.03455	1.2
83.01400	2.0
85.02982	4.6
87.00877	1.5
89.02451	3.2
93.03511	1.5
95.01402	2.5
97.03008	1.0
99.00929	0.9
101.02454	4.8
101.72197	0.8
107.01400	12.9
108.02182	2.2
109.02953	1.8
110.00092	1.0
111.00883	5.6
113.02464	3.4
119.03476	1.0
121.02990	2.1
122.03758	0.8
123.00887	11.4
123.04557	2.2
124.01697	2.6
125.02458	68.5
126.02782	2.0
127.00403	2.3
135.04544	4.3
136.98843	2.7
137.02464	5.0
139.00398	5.7
139.04034	1.9
140.01181	7.2
141.01923	1.2
149.02388	1.2
149.06076	1.3
151.00394	6.5
152.01202	0.7
161.02475	1.4
163.02698	1.5
163.04013	14.6
164.04797	6.7
164.98466	0.7
165.01881	1.0
165.05551	2.0
166.06357	10.5
167.00111	0.8
167.07133	2.9
167.08476	0.7
168.00673	7.3
169.01440	74.7
170.01784	2.1
174.35672	0.9
178.06384	9.3
179.05627	1.1
179.07112	6.0
181.08725	13.2
182.08878	0.8
183.03023	4.3
193.08707	3.0
195.06627	1.2
211.02551	1.5
213.22661	0.8
228.04277	3.6
229.04988	2.3
241.03505	2.5
243.06618	9.9
244.07487	0.9
286.01202	0.9
287.01895	1.2
297.06247	2.4
312.12131	2.0
313.05701	28.2
314.06033	1.5
317.10281	1.7
327.07675	5.7
327.14539	35.3
328.14890	1.0
329.02982	0.9
330.03748	1.6
330.14761	1.5
345.06274	3.3
345.13333	4.3
345.16858	4.1
507.15042	100.0
507.22278	22.6
508.15359	8.5
508.22629	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78037	0.5
59.01380	2.7
65.00310	0.9
67.01871	1.2
69.03465	1.3
69.04638	1.9
69.05056	3.4
71.01388	5.0
72.99306	0.9
73.02940	0.9
78.38538	0.5
79.01882	1.1
81.26807	0.6
83.01388	1.5
85.02940	1.3
87.00889	1.0
89.02471	0.8
95.01402	2.3
97.02978	1.3
99.00912	0.9
101.02434	2.7
107.01396	12.5
107.02080	1.0
111.00883	5.4
113.02456	1.2
121.02989	1.3
123.00882	8.6
123.04517	1.2
124.01662	2.8
125.02454	66.8
126.02771	1.8
127.00361	2.6
135.04524	2.3
136.98831	3.3
137.02472	0.7
139.00372	6.4
139.03995	1.2
140.01175	7.0
141.01942	0.9
144.27969	0.6
149.06105	3.6
151.00360	7.0
151.03973	0.7
153.02002	0.9
154.99969	0.9
163.04010	12.1
164.04851	3.6
165.05569	1.0
165.09232	1.5
166.02847	0.6
166.99786	0.7
168.00647	9.0
169.01430	79.3
170.01779	1.8
178.06351	12.0
179.03381	0.6
179.07124	2.8
181.01402	0.9
183.03029	4.2
184.50166	0.5
193.08723	4.7
207.46764	0.5
211.02449	1.1
241.03548	2.2
297.06186	3.5
313.05658	34.1
314.05927	1.4
327.07202	7.0
345.13461	9.4
345.17120	1.9
346.13959	1.1
507.15088	100.0
508.15555	8.8
508.22812	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	21.6
71.01379	9.0
73.02927	1.3
83.01349	1.0
85.02966	1.9
87.00879	10.2
89.02459	10.4
93.03458	2.1
95.01405	1.1
101.02450	4.0
103.25558	1.1
108.02206	1.6
109.02975	2.9
113.02471	4.1
119.03526	4.1
121.02934	5.4
122.03726	3.4
123.04529	4.5
124.01563	1.0
133.02969	1.1
134.03735	5.5
135.04533	4.7
137.02466	5.0
139.11284	2.0
143.03520	1.0
145.02951	4.7
146.03706	1.6
147.04558	4.8
148.05363	2.6
149.06122	5.6
151.03993	1.2
159.04573	1.8
161.06075	2.8
163.04048	1.4
164.04811	1.2
165.05594	7.0
166.08578	1.3
172.05289	1.3
173.06097	1.3
175.04008	1.6
177.05576	1.4
179.05611	1.9
183.10286	2.1
190.06339	2.3
191.07185	2.0
203.07188	2.8
217.32674	1.1
223.07655	2.5
225.07758	1.2
240.04335	2.9
251.07132	4.2
252.07985	1.5
253.05154	1.2
253.08760	3.3
254.05861	8.9
255.06566	4.7
265.08688	2.8
266.09454	1.9
268.07376	4.3
269.08154	10.2
270.09021	15.9
271.09641	3.6
278.09482	2.2
279.06647	1.5
283.09674	2.1
284.10629	7.2
285.11267	13.0
293.08261	6.1
294.09027	14.9
295.09531	2.6
297.07727	2.0
297.11099	1.5
309.11353	37.4
310.08395	1.1
311.09271	19.1
312.10025	14.1
313.10535	1.6
325.10876	1.1
326.11609	26.0
326.87701	1.1
327.12381	100.0
328.12646	9.7
329.13898	4.4
345.13406	4.9
369.13501	2.6
489.17728	24.7
489.24664	0.9
490.18057	2.6
507.18701	19.5
507.24948	3.9
508.19073	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	507.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	18.2
63.40626	1.4
68.63177	1.3
69.63233	6.7
69.63534	1.4
71.01382	9.6
71.32001	1.2
85.02937	2.1
87.00877	3.9
88.80671	1.5
89.02446	7.3
89.28998	1.2
91.61807	1.4
98.22482	2.9
101.02426	4.1
108.02182	3.4
109.03022	1.9
113.02442	2.9
119.03483	4.4
119.15740	1.2
119.19929	1.4
121.02973	7.2
122.03736	2.7
123.04518	4.7
134.03775	10.4
135.04523	7.4
145.02992	1.4
146.03728	4.6
147.04500	4.2
148.05293	5.9
149.06082	14.1
151.41479	1.6
159.04495	1.5
160.05247	1.9
161.06059	2.8
164.04831	2.4
165.05588	2.3
169.09891	1.5
172.05334	1.5
173.06076	1.8
179.05707	2.0
179.07011	6.5
218.08260	1.3
225.09225	2.0
227.07071	1.9
251.07205	2.5
252.07994	4.3
253.08823	8.5
254.05876	3.1
255.06583	9.1
268.07318	3.7
269.08231	13.8
270.08951	36.9
271.09540	3.0
285.11340	51.6
286.11658	3.1
293.08276	1.7
294.08966	6.1
297.11166	1.6
309.11252	13.1
311.09149	2.5
312.10034	2.1
326.11542	5.6
327.12366	22.8
345.13391	3.5
489.17786	8.9
507.18661	100.0
508.19025	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95985	1.3
59.01384	65.7
71.01386	14.6
72.99294	1.2
73.02957	2.6
83.01364	2.7
84.38916	1.2
85.02949	3.3
87.00864	2.0
89.02452	10.9
90.30657	1.1
90.61008	1.1
93.02881	2.6
93.03465	37.3
95.01372	2.5
96.96023	10.8
99.00866	1.2
100.66830	1.1
101.02450	12.0
107.05024	1.4
108.02149	2.1
109.02997	1.7
113.02421	6.5
119.03523	4.3
120.99665	1.8
121.02959	1.5
123.04527	1.4
125.02421	2.3
132.02234	1.8
135.04526	1.7
136.01675	6.5
137.02457	74.1
138.02774	2.0
139.00351	2.8
149.02444	2.2
151.03993	5.5
151.07657	1.2
153.01884	1.4
154.02567	1.1
160.01680	4.2
163.04028	2.1
163.11322	7.2
167.03513	1.4
169.01392	1.2
175.04010	7.7
176.90630	1.1
179.03503	28.9
193.05058	1.5
205.05138	1.6
207.10257	10.6
209.04596	3.3
229.04948	1.2
239.05602	12.7
253.22485	1.3
299.07663	1.6
345.06183	1.5
369.15616	5.6
387.16629	100.0
388.16824	6.7
409.48044	1.1
423.60168	1.2
439.10614	4.1
447.16690	7.0
456.39337	1.2
489.17880	1.8
507.18805	94.9
508.19058	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	507.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97756	0.6
57.03353	0.7
57.03619	0.8
59.01248	7.3
59.01587	3.3
60.25132	0.6
61.98726	0.8
61.99013	0.6
66.47915	0.6
71.01241	3.3
81.03343	0.9
83.01252	0.9
83.77598	0.7
85.02861	0.8
87.26775	0.7
89.02285	2.1
89.02797	0.7
93.03332	0.8
93.54984	0.7
95.01278	1.0
96.95901	0.9
97.02834	1.0
97.05233	0.6
98.21718	1.4
101.02296	2.0
101.02913	0.7
107.01232	4.1
107.04883	0.8
109.02808	2.0
113.02321	1.8
117.35475	0.6
119.03400	1.1
120.99493	4.4
121.02798	3.4
121.42923	0.7
122.03644	0.8
122.19325	0.8
123.00716	4.2
123.04417	1.5
124.01553	1.0
125.02274	30.4
125.03276	2.5
133.02837	0.9
134.03566	11.3
134.04628	0.7
135.04359	2.3
136.01555	1.0
137.02278	3.9
139.00189	2.3
139.03812	0.8
140.00914	1.2
145.02963	3.8
146.03598	1.2
149.06076	3.7
151.00368	3.8
151.03806	2.5
161.02316	1.1
161.05820	0.7
162.03058	0.7
164.01065	0.7
165.01857	1.1
167.07115	5.3
168.00516	1.6
169.01434	37.3
170.01694	0.9
177.01837	1.0
178.02727	8.7
178.99806	0.7
179.03363	1.5
179.05528	1.2
179.07008	1.3
192.00659	4.2
193.01408	12.6
193.05038	10.5
209.08102	1.3
211.02240	1.0
225.09190	1.2
227.06938	1.0
237.05377	1.0
238.06248	1.2
239.07019	1.7
240.04234	0.9
241.04929	2.0
243.02792	1.1
251.06949	2.1
253.05156	3.0
253.08521	1.2
255.02824	0.7
255.04117	0.7
255.06592	6.4
256.11063	5.7
265.08640	1.1
267.06506	4.9
267.09909	1.2
268.07089	0.9
269.08188	4.6
281.08066	1.4
282.08878	1.6
283.09802	4.8
284.10474	6.0
295.09747	6.2
296.10568	11.5
297.11099	3.8
299.09222	2.4
300.06616	1.3
300.10043	26.2
301.10297	1.2
310.08426	4.4
311.09259	19.1
312.10034	36.7
313.05695	21.4
313.10245	2.1
314.05966	1.0
315.12393	53.0
316.12683	3.1
327.12384	100.0
328.12802	6.6
345.13416	7.0
355.06750	7.0
463.12384	1.6
477.17670	5.1
489.18036	2.3
507.11789	40.4
507.18903	4.7
508.12231	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	507.1874
Annotation	Clemastanin A
Peak:m/z	Relative Intensity
59.01380	15.5
66.92915	1.3
70.25631	4.4
71.01373	8.9
73.02927	1.6
85.02966	2.5
87.00887	2.2
89.02454	5.1
101.02457	6.2
107.01453	1.5
113.02448	2.8
121.02952	5.0
123.00925	3.0
123.04550	1.6
125.02491	7.0
134.03752	3.1
135.04509	4.2
139.04030	4.0
145.02936	4.5
149.06058	3.3
151.03889	1.5
153.39354	1.4
161.02493	6.2
167.07097	1.7
169.01457	9.6
178.02858	1.9
179.03500	1.8
183.02858	2.0
193.05063	2.6
205.05118	2.2
239.07137	1.7
253.08636	2.1
255.06538	3.2
256.07391	1.8
265.08780	2.9
267.06552	7.7
268.07346	5.0
269.08374	3.2
277.08646	3.1
281.08136	5.8
282.08951	1.8
294.09036	3.8
297.11368	3.2
300.06485	2.8
300.09888	2.3
312.10135	5.7
313.05722	2.9
313.10776	3.9
315.12411	2.5
327.08920	1.9
327.12402	8.5
341.10287	5.9
462.15338	6.1
463.12857	2.6
474.15305	38.2
475.15622	2.7
477.17624	34.4
478.18155	3.4
489.17685	100.0
490.17728	9.6
507.11157	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	507.1875
Annotation	Hirsutanonol-5-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
57.66102	0.4
58.73420	0.4
59.01103	0.6
59.01382	8.6
61.98818	0.8
69.12926	0.4
69.50307	0.4
71.01373	0.8
71.29708	0.6
73.02979	0.6
84.40278	0.3
93.03454	0.5
95.08118	0.3
96.96022	0.9
101.02430	0.6
107.63332	0.4
108.02177	1.0
109.02969	1.3
111.00861	0.5
121.02945	3.4
121.06587	1.1
122.03742	5.1
123.04542	6.8
124.01690	0.7
125.02435	1.3
135.04532	1.5
135.08145	0.8
136.05345	0.8
137.02455	1.5
137.06114	1.1
137.09732	2.7
139.00369	0.4
147.08186	0.5
147.82944	0.4
148.05301	1.0
149.06088	37.9
150.06479	1.4
153.01990	0.4
163.03989	1.1
163.07658	1.6
165.09213	13.3
167.03497	0.6
169.01381	0.7
178.06334	0.7
179.07059	0.7
191.07126	2.6
221.08134	0.8
259.09775	0.5
270.08942	0.5
271.09750	3.4
273.11331	4.7
283.13275	2.0
285.11353	1.8
286.11969	0.6
301.14496	3.8
313.10956	2.6
315.01523	0.5
315.18124	0.6
327.12329	0.5
329.02936	0.5
330.03830	0.6
345.13431	100.0
346.13809	6.5
507.10852	2.7
507.18848	12.4
507.33368	0.8
508.19656	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2041
Annotation	Mortonin D
Peak:m/z	Relative Intensity
57.03442	2.2
59.01382	6.9
61.98178	1.1
61.98830	3.8
62.98201	1.2
64.28222	1.0
69.30652	4.8
69.31063	2.7
71.01382	3.4
73.02959	6.7
74.00916	1.2
83.89257	1.0
85.02967	2.2
87.04523	2.7
89.02442	1.2
98.22501	2.3
101.02433	1.5
108.02201	4.9
109.02962	5.8
111.08233	1.3
121.02966	10.3
122.03754	1.3
123.04527	6.3
123.08175	1.1
124.01655	1.3
125.02477	1.9
134.03745	2.2
135.04512	8.1
137.02499	2.7
145.02983	3.7
147.04541	1.6
148.05363	2.7
149.06087	8.6
150.03233	2.7
151.07565	1.2
161.02435	1.0
161.06088	1.8
164.04779	1.7
165.05629	1.4
169.08748	1.2
172.05496	1.1
173.06102	1.8
178.02780	2.6
179.03519	4.8
179.07184	1.4
190.06380	1.2
191.07175	1.3
195.06656	1.6
217.69173	1.1
239.07169	5.0
239.93370	1.3
249.05414	1.2
251.07376	3.6
254.05908	2.2
255.06656	2.3
263.07245	1.2
265.04996	1.8
266.05823	2.8
267.06607	16.2
268.07373	3.2
269.08249	2.9
271.09747	2.6
277.08640	1.6
280.07538	3.5
281.08279	6.0
282.08957	5.5
293.08383	2.5
294.09018	1.5
295.09631	8.1
296.10571	1.4
309.11371	2.1
310.12170	1.7
311.12827	2.6
314.08075	2.3
415.15778	1.6
416.12628	1.3
417.13367	5.2
431.15179	4.2
432.15692	10.3
433.16489	2.2
447.18185	21.9
448.18704	2.5
471.18619	2.6
471.26886	1.5
473.16330	1.6
488.31015	2.1
489.19296	25.5
489.31445	3.9
490.19785	3.3
506.35800	32.8
507.20422	100.0
507.36597	43.6
508.20963	8.8
508.35693	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.2
59.01382	6.9
61.98178	1.1
61.98830	3.8
62.98201	1.2
64.28222	1.0
69.30652	4.8
69.31063	2.7
71.01382	3.4
73.02959	6.7
74.00916	1.2
83.89257	1.0
85.02967	2.2
87.04523	2.7
89.02442	1.2
98.22501	2.3
101.02433	1.5
108.02201	4.9
109.02962	5.8
111.08233	1.3
121.02966	10.3
122.03754	1.3
123.04527	6.3
123.08175	1.1
124.01655	1.3
125.02477	1.9
134.03745	2.2
135.04512	8.1
137.02499	2.7
145.02983	3.7
147.04541	1.6
148.05363	2.7
149.06087	8.6
150.03233	2.7
151.07565	1.2
161.02435	1.0
161.06088	1.8
164.04779	1.7
165.05629	1.4
169.08748	1.2
172.05496	1.1
173.06102	1.8
178.02780	2.6
179.03519	4.8
179.07184	1.4
190.06380	1.2
191.07175	1.3
195.06656	1.6
217.69173	1.1
239.07169	5.0
239.93370	1.3
249.05414	1.2
251.07376	3.6
254.05908	2.2
255.06656	2.3
263.07245	1.2
265.04996	1.8
266.05823	2.8
267.06607	16.2
268.07373	3.2
269.08249	2.9
271.09747	2.6
277.08640	1.6
280.07538	3.5
281.08279	6.0
282.08957	5.5
293.08383	2.5
294.09018	1.5
295.09631	8.1
296.10571	1.4
309.11371	2.1
310.12170	1.7
311.12827	2.6
314.08075	2.3
415.15778	1.6
416.12628	1.3
417.13367	5.2
431.15179	4.2
432.15692	10.3
433.16489	2.2
447.18185	21.9
448.18704	2.5
471.18619	2.6
471.26886	1.5
473.16330	1.6
488.31015	2.1
489.19296	25.5
489.31445	3.9
490.19785	3.3
506.35800	32.8
507.20422	100.0
507.36597	43.6
508.20963	8.8
508.35693	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01693	1.2
70.44804	3.1
71.01376	5.0
72.99281	1.2
73.02940	1.2
74.47328	1.4
75.53255	1.1
82.33296	1.0
85.02966	2.5
89.02466	2.0
101.02464	2.5
105.85149	1.1
113.02445	2.3
119.84566	1.2
125.02438	2.2
130.82924	1.1
133.05034	2.0
151.03964	1.7
153.05655	1.2
161.04546	5.0
181.05075	32.5
196.07420	36.2
197.07858	1.3
211.09767	78.7
212.10109	3.0
214.14830	1.1
229.95729	1.1
235.08374	5.1
282.89670	1.1
329.07352	1.0
369.71359	1.2
387.28171	1.2
395.87433	1.2
426.21567	1.3
447.18607	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	507.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66502	1.5
55.01876	2.6
57.03431	2.0
59.01095	2.8
59.01386	42.6
61.98823	6.9
62.08562	1.4
69.03455	2.0
69.60439	8.6
71.00989	2.6
71.01384	35.7
72.01717	2.6
72.99292	2.1
73.02951	9.0
81.03532	2.2
83.01397	5.2
85.02957	54.1
86.03294	1.8
87.00893	4.6
89.02450	9.2
93.03458	10.9
95.01414	6.0
96.09052	1.7
97.02970	3.4
99.00923	4.3
100.34198	2.0
101.02454	11.7
107.01390	6.5
107.08667	5.5
108.02185	7.3
109.02976	3.9
113.02453	13.2
119.03554	3.6
120.99611	2.0
121.02953	8.8
121.38259	2.0
123.00868	11.3
123.04560	7.1
124.01669	6.7
125.02460	57.2
133.02962	2.3
134.03777	3.6
135.04536	5.6
136.01630	2.5
137.02467	21.6
139.00386	4.9
139.04010	2.9
140.01164	1.8
146.03624	2.8
147.04494	1.9
148.05338	4.1
149.02441	5.3
149.06085	50.9
149.09726	5.3
149.99594	3.6
150.03085	2.1
150.06509	1.8
151.00409	8.1
151.04048	5.4
151.07639	14.3
161.02524	8.7
161.04514	3.8
163.04044	3.2
163.07652	2.6
164.04768	8.3
165.01999	3.1
165.05571	14.4
165.09201	2.1
168.00661	5.9
168.04279	1.9
169.00026	4.2
169.01428	68.4
175.00386	4.7
176.00797	2.3
179.03534	10.5
179.07137	9.1
181.05035	2.0
184.02415	2.4
190.02676	9.4
191.03140	8.0
192.03506	2.1
193.08685	41.0
200.04820	2.3
205.05095	10.8
206.05460	4.5
207.05446	4.3
211.02394	3.7
221.08459	1.8
223.06000	2.7
225.07652	8.3
228.04297	20.9
229.04990	9.0
230.05719	3.1
239.05560	2.6
242.13162	3.4
243.06636	42.7
244.07184	3.9
252.51772	2.0
256.07330	1.9
258.08936	6.9
269.04498	4.3
271.04807	4.3
271.09717	5.2
285.04019	5.4
285.97635	2.0
286.04517	4.5
287.04675	7.8
297.11252	3.0
301.13901	2.2
313.05688	31.1
313.97116	5.9
314.04260	13.1
314.97940	11.3
315.04749	12.5
316.04895	24.9
327.12335	6.6
328.99408	7.7
329.06784	12.6
330.00211	11.6
330.06897	10.5
330.14764	8.3
331.07217	24.6
343.11768	7.2
344.01477	3.5
344.12180	8.3
345.02573	12.3
345.12875	25.9
345.17133	19.5
367.10663	2.6
387.16614	13.9
439.56564	1.9
447.16733	2.4
447.22482	6.1
465.13986	5.1
468.05173	1.9
489.20578	2.0
507.07733	14.6
507.15466	100.0
507.22412	58.2
508.08456	3.8
508.15503	11.6
508.22885	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	507.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.6
55.57674	0.3
57.03445	0.5
58.00594	0.4
59.01141	0.5
59.01385	6.3
61.98811	0.8
71.01389	5.3
72.99327	0.5
73.02948	1.4
80.51314	0.4
83.01384	1.3
85.02930	2.4
87.00877	1.4
89.02470	1.3
95.01373	0.5
97.02962	0.4
99.00892	1.4
101.02449	2.8
109.02981	0.5
111.00905	0.8
113.02451	1.5
115.91530	0.4
125.02460	1.0
133.54147	0.3
138.91469	0.4
149.79851	0.4
164.04822	1.4
165.05602	1.8
168.00638	0.5
172.05356	0.8
172.77832	0.4
183.04437	0.7
184.05545	0.4
188.03726	0.4
199.04010	1.5
200.04759	2.2
211.04028	4.7
212.04796	5.4
213.05458	1.8
214.02702	1.3
225.05626	0.5
227.03464	2.1
227.07138	0.5
228.04280	9.3
229.05054	11.9
230.05626	0.4
238.06314	0.5
241.05078	3.1
243.06616	5.2
244.07076	0.6
255.06673	1.2
256.07413	3.8
257.08163	2.6
264.16260	0.4
271.09772	13.2
272.10101	1.0
287.12912	0.9
298.12012	0.9
299.12909	1.6
313.14322	1.0
315.12393	9.0
315.18057	0.6
316.13104	4.1
317.13901	0.6
330.14746	15.6
331.15405	7.2
345.13370	0.8
345.17081	8.7
346.17654	0.5
359.15253	0.4
372.15585	0.7
373.16064	0.5
403.35486	0.4
477.17642	4.9
492.20074	7.1
493.20529	0.8
507.22391	100.0
508.22736	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	507.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.6
56.08075	0.9
57.03443	1.6
58.00599	1.1
59.01096	1.5
59.01384	27.5
66.88046	0.8
69.03452	0.9
71.01385	19.5
72.99319	1.7
73.02934	3.5
83.01374	2.9
85.02952	6.2
87.00857	2.6
89.02444	13.8
93.03468	2.8
95.01387	1.1
97.02985	0.9
98.22637	1.9
99.00864	1.6
101.02454	10.9
107.01417	2.0
108.02175	6.7
109.02958	2.8
111.00840	1.1
113.02473	6.9
119.03503	4.3
121.02947	2.3
123.00924	2.4
123.04552	6.4
125.02451	6.7
135.04485	1.0
137.02473	7.3
139.00362	1.2
140.01140	1.2
149.02481	1.1
149.06053	1.3
151.00320	1.5
152.01163	0.9
152.04774	1.5
159.04544	1.5
163.03979	3.8
164.04776	1.7
165.05522	1.3
168.00642	0.9
169.01457	5.5
173.06001	1.1
178.06329	1.7
179.07184	1.0
180.04269	1.0
183.02985	1.1
199.03888	0.9
200.04816	3.5
201.05476	0.9
210.03227	1.5
211.04025	1.8
227.03506	3.0
228.04320	27.1
229.05038	16.2
233.33171	1.0
239.05563	1.1
241.04991	1.1
243.06636	60.0
244.07268	7.0
255.06674	1.2
256.07401	1.9
257.08218	5.2
258.08972	5.8
271.09778	6.3
313.05551	1.2
313.14410	1.8
317.10287	5.3
324.75000	1.0
327.12430	1.1
328.99084	1.4
330.14758	9.1
331.14990	2.1
345.06036	1.2
345.13297	7.7
345.17032	25.7
346.17422	1.3
369.62100	0.9
383.17111	1.0
461.24988	0.9
492.19583	1.0
507.07343	2.5
507.15134	11.6
507.22256	100.0
508.22488	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66502	1.5
55.01876	2.6
57.03431	2.0
59.01095	2.8
59.01386	42.6
61.98823	6.9
62.08562	1.4
69.03455	2.0
69.60439	8.6
71.00989	2.6
71.01384	35.7
72.01717	2.6
72.99292	2.1
73.02951	9.0
81.03532	2.2
83.01397	5.2
85.02957	54.1
86.03294	1.8
87.00893	4.6
89.02450	9.2
93.03458	10.9
95.01414	6.0
96.09052	1.7
97.02970	3.4
99.00923	4.3
100.34198	2.0
101.02454	11.7
107.01390	6.5
107.08667	5.5
108.02185	7.3
109.02976	3.9
113.02453	13.2
119.03554	3.6
120.99611	2.0
121.02953	8.8
121.38259	2.0
123.00868	11.3
123.04560	7.1
124.01669	6.7
125.02460	57.2
133.02962	2.3
134.03777	3.6
135.04536	5.6
136.01630	2.5
137.02467	21.6
139.00386	4.9
139.04010	2.9
140.01164	1.8
146.03624	2.8
147.04494	1.9
148.05338	4.1
149.02441	5.3
149.06085	50.9
149.09726	5.3
149.99594	3.6
150.03085	2.1
150.06509	1.8
151.00409	8.1
151.04048	5.4
151.07639	14.3
161.02524	8.7
161.04514	3.8
163.04044	3.2
163.07652	2.6
164.04768	8.3
165.01999	3.1
165.05571	14.4
165.09201	2.1
168.00661	5.9
168.04279	1.9
169.00026	4.2
169.01428	68.4
175.00386	4.7
176.00797	2.3
179.03534	10.5
179.07137	9.1
181.05035	2.0
184.02415	2.4
190.02676	9.4
191.03140	8.0
192.03506	2.1
193.08685	41.0
200.04820	2.3
205.05095	10.8
206.05460	4.5
207.05446	4.3
211.02394	3.7
221.08459	1.8
223.06000	2.7
225.07652	8.3
228.04297	20.9
229.04990	9.0
230.05719	3.1
239.05560	2.6
242.13162	3.4
243.06636	42.7
244.07184	3.9
252.51772	2.0
256.07330	1.9
258.08936	6.9
269.04498	4.3
271.04807	4.3
271.09717	5.2
285.04019	5.4
285.97635	2.0
286.04517	4.5
287.04675	7.8
297.11252	3.0
301.13901	2.2
313.05688	31.1
313.97116	5.9
314.04260	13.1
314.97940	11.3
315.04749	12.5
316.04895	24.9
327.12335	6.6
328.99408	7.7
329.06784	12.6
330.00211	11.6
330.06897	10.5
330.14764	8.3
331.07217	24.6
343.11768	7.2
344.01477	3.5
344.12180	8.3
345.02573	12.3
345.12875	25.9
345.17133	19.5
367.10663	2.6
387.16614	13.9
439.56564	1.9
447.16733	2.4
447.22482	6.1
465.13986	5.1
468.05173	1.9
489.20578	2.0
507.07733	14.6
507.15466	100.0
507.22412	58.2
508.08456	3.8
508.15503	11.6
508.22885	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	507.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25497	0.5
54.10014	0.5
56.14489	0.6
65.66532	0.5
69.56618	2.8
85.62473	0.5
86.70252	0.5
87.04548	0.6
89.10871	0.5
93.03466	1.1
98.21858	1.1
101.29170	0.6
107.01379	0.8
107.05022	0.8
108.02184	1.7
109.02972	3.3
113.09708	0.8
119.05037	0.8
121.02968	4.4
123.04528	4.7
127.07685	0.9
135.04536	19.4
137.06058	1.0
149.02454	43.9
150.03239	10.1
151.00407	2.1
164.04807	100.0
165.05585	33.7
166.05888	0.8
169.08704	1.4
173.06161	0.8
179.07150	81.0
180.07477	3.4
187.07663	1.8
189.09187	0.7
221.08238	1.2
240.04337	0.8
241.05086	2.2
255.06734	1.6
265.07059	1.2
271.06085	3.2
275.16605	0.7
277.32446	0.7
283.41254	0.5
297.11374	1.5
312.13632	5.2
313.14511	1.3
326.15170	3.8
327.16046	9.4
341.00467	0.5
507.24603	3.7
507.32465	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.70657	0.9
65.07593	0.8
66.75439	0.8
69.22480	4.7
72.76062	0.8
96.96009	4.8
101.73127	0.8
108.02196	5.9
109.02972	3.2
110.97592	3.9
113.06058	0.9
121.02966	5.1
123.04558	8.1
131.08650	0.9
134.03735	3.7
135.04509	3.0
136.01662	2.4
137.02443	2.7
145.02977	4.4
146.03709	1.5
147.04498	1.0
148.05299	7.0
149.06067	4.6
151.03987	2.0
154.42538	0.8
160.05319	1.2
163.07593	1.2
164.04785	1.8
175.07689	8.7
178.06378	0.9
190.06381	1.1
193.62680	0.8
209.08211	1.1
212.08656	0.9
223.07712	1.1
225.05609	0.9
240.07867	2.3
251.07135	3.1
251.09532	1.3
252.07965	1.8
253.05067	1.2
254.05989	1.9
265.08841	1.3
266.05716	1.5
267.06738	4.0
268.07404	20.9
269.08173	11.7
270.08701	1.4
283.09793	20.5
284.10522	11.5
295.09793	1.7
297.11398	1.7
298.12106	7.2
311.12994	1.4
316.09534	1.9
337.14606	1.6
338.15356	1.2
365.70889	0.9
383.18579	4.7
459.17905	1.1
474.20001	1.9
489.22879	100.0
490.23111	11.1
507.23706	5.5
507.37296	0.9
508.29834	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2391
Annotation	Tanariflavanone C
Peak:m/z	Relative Intensity
55.03653	0.6
55.13218	0.7
60.86835	0.6
70.24139	1.5
80.64407	0.7
93.03497	0.8
106.47572	0.7
108.02181	7.5
109.02951	3.5
121.02962	5.4
122.03764	1.1
123.04550	9.8
133.06583	1.0
134.03751	4.1
135.04544	2.5
136.01672	3.4
137.02472	4.2
145.02977	4.8
146.03708	0.7
147.04561	1.1
148.05347	7.5
149.06102	5.2
151.03993	2.2
160.05327	2.2
163.04062	1.6
163.07626	1.8
164.04797	2.4
175.07639	8.2
177.09203	1.4
178.06262	0.9
190.06354	1.2
212.08464	1.2
221.08029	0.8
223.07602	1.2
239.07167	2.3
240.07985	2.1
251.07138	3.3
252.07838	1.9
253.05124	1.7
254.06010	1.6
265.08829	1.3
266.09506	1.0
267.06598	4.8
268.07404	25.3
268.10297	1.3
269.08167	14.6
270.08603	1.0
282.08981	0.8
283.09775	21.2
284.10522	13.2
294.09085	0.9
295.09830	1.9
297.11411	3.5
298.12137	7.5
299.12598	1.2
309.11606	0.8
311.13028	3.7
315.59271	0.7
316.09457	2.4
321.11395	0.7
323.13013	1.4
330.11063	1.0
337.14575	1.4
343.30646	0.9
368.16492	1.0
375.40021	0.8
383.18689	7.1
459.18326	1.5
474.20261	1.1
489.22855	100.0
490.23190	12.5
492.21307	0.7
507.23965	7.7
507.31689	1.3
508.24203	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98049	1.3
55.01880	1.8
57.03457	1.8
59.01381	100.0
69.01548	5.8
69.01967	6.1
71.01387	15.9
73.02956	6.6
83.01416	2.6
85.02976	6.9
87.00890	2.6
89.02483	5.0
93.03455	1.3
95.01395	1.8
95.63300	1.2
98.22590	1.8
99.00935	2.2
99.04536	2.7
101.02453	12.2
105.56715	1.2
108.02184	2.3
113.02477	5.3
119.03555	2.0
121.02948	2.7
123.04537	2.4
134.03781	3.2
135.04546	3.9
137.02496	6.0
139.04083	2.1
139.11333	1.9
140.77693	1.3
141.36040	1.3
145.02959	1.7
146.03786	1.5
148.05344	2.9
149.06169	2.9
151.04056	2.6
153.01976	3.4
153.05643	1.6
161.04604	5.9
161.06007	1.3
163.07664	1.9
164.04822	1.4
165.05609	2.9
179.03479	2.7
179.07135	2.8
181.05046	6.5
182.05830	1.4
183.06644	2.4
183.10335	2.3
207.13963	3.5
209.11833	7.2
225.14995	6.2
227.12907	31.5
227.15096	2.1
228.04315	2.4
229.05057	2.1
237.09763	7.8
251.12891	1.6
253.10907	3.6
255.06712	2.2
269.08212	3.1
269.14093	2.2
270.08896	7.5
271.09619	1.7
279.11044	2.6
285.11292	6.8
286.11423	1.2
315.12256	1.7
327.12503	3.8
337.09518	1.6
345.13422	5.8
363.06958	1.4
489.23505	13.0
507.11353	2.8
507.24603	70.5
508.24750	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42628	2.1
55.01861	3.1
57.03441	3.5
58.00570	2.6
59.01382	100.0
63.10950	2.2
70.53643	2.7
70.53983	4.9
71.01385	49.5
71.11312	2.2
73.02946	12.9
83.01400	6.4
83.33924	2.0
85.02950	24.1
89.02464	13.7
93.03461	17.5
95.01389	7.4
99.00877	8.6
101.02451	44.4
106.65862	1.8
109.02956	5.4
113.02454	21.7
116.82159	2.0
119.03497	3.6
123.00842	2.3
125.02460	5.2
131.03506	45.3
135.04532	12.8
136.01735	2.6
137.01465	4.2
137.02455	57.3
143.03500	2.8
149.02548	3.6
149.06061	8.1
157.60300	2.2
159.03035	2.9
159.04428	2.5
161.02449	3.0
161.04573	29.8
165.05556	6.0
167.10791	5.3
169.01474	2.9
179.03525	17.8
191.07199	4.6
207.06607	2.5
208.07401	4.8
212.68074	2.2
236.28433	2.1
239.05577	9.1
240.06381	5.4
241.05037	6.4
243.06508	4.5
265.04837	4.6
315.18127	73.9
316.18369	4.2
345.05978	2.6
345.13416	31.2
345.22531	3.4
447.22418	19.9
476.68097	2.9
507.11438	15.7
507.22934	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49785	0.4
61.98830	0.5
68.54501	0.4
69.46626	0.5
69.82766	0.8
69.83096	0.8
78.76582	0.5
91.17413	0.5
105.03479	2.0
117.03435	0.9
121.02955	0.5
124.91557	0.4
127.11286	1.3
132.02173	8.3
133.02974	15.1
134.03754	14.8
135.04553	4.6
137.02466	2.3
139.04015	0.5
147.04523	0.5
148.05360	0.8
149.06139	0.7
157.12338	0.8
160.01666	43.9
161.02454	10.8
161.06059	0.8
162.02818	0.6
171.10220	0.5
175.04008	100.0
176.04343	3.7
177.01968	0.5
178.02711	1.0
179.03468	2.7
193.05055	8.4
247.21629	0.4
285.78943	0.5
289.14529	0.7
313.23969	2.6
319.15570	3.2
329.23370	0.8
331.24890	19.6
332.25272	1.2
336.49805	0.5
347.25992	1.0
355.59335	0.5
381.14307	0.5
405.22675	0.7
407.27798	1.3
471.30817	0.5
475.26917	4.3
507.29489	69.7
508.29819	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	507.3253
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	10.1
71.29543	7.2
75.19688	7.0
80.42695	5.5
84.80267	5.8
96.96031	7.7
114.89619	6.0
195.09843	6.1
323.78247	6.3
471.35413	100.0
472.35239	12.1
507.36804	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	507.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37603	22.0
69.14556	100.0
69.14980	71.1
74.11678	21.5
77.01306	19.5
85.46888	22.0
116.04684	21.4
263.39175	20.3
323.48840	24.0
443.20538	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	507.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74267	0.5
55.01880	5.3
57.03453	5.4
58.00591	1.8
59.01383	47.2
61.98827	2.9
69.03461	1.3
70.12098	1.8
71.01385	71.8
71.05006	0.7
72.01725	0.5
72.99310	2.9
73.00487	0.5
73.02952	20.0
75.00880	1.0
82.95414	1.0
83.01393	10.9
84.02180	0.7
85.02953	31.9
86.00103	1.0
86.03297	0.6
87.00877	3.6
89.02454	20.9
93.03484	0.6
95.01398	6.0
97.02979	1.9
99.00886	9.5
101.02446	40.9
103.45886	0.5
109.02930	0.8
111.00904	3.4
113.02457	24.7
114.02736	0.8
119.03501	6.0
123.00922	0.7
123.04509	2.8
124.01678	1.2
125.02439	2.9
127.07679	0.8
129.01956	0.7
131.03516	1.2
134.03745	0.5
135.04523	0.5
139.04042	1.1
139.11331	0.9
141.01917	0.9
143.03537	3.0
148.05315	1.0
149.04625	3.6
149.06007	3.5
151.04027	0.9
159.03009	6.4
160.01720	1.2
161.04579	20.2
167.10818	1.3
175.04095	1.3
177.01996	1.2
179.05701	0.6
181.12325	0.6
183.10321	0.9
191.05595	1.3
193.08740	1.8
194.09094	1.3
195.09229	0.8
205.08612	0.6
206.09088	0.6
207.06897	0.5
211.09856	0.7
212.10132	0.8
223.57774	0.5
225.11383	0.5
240.38004	0.5
243.12408	4.3
268.07449	0.7
283.09619	0.5
293.08826	2.2
299.25992	1.6
324.19870	0.5
345.30054	7.9
346.30838	0.5
431.84036	0.6
447.22525	0.9
503.38638	0.7
507.35434	100.0
508.35791	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	507.3562
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22715	0.4
54.48819	0.4
55.01885	4.7
57.03448	5.2
58.00588	1.2
59.01383	23.9
61.05759	0.4
61.98838	0.7
66.24628	0.5
69.03454	0.9
70.69746	0.4
71.01385	49.7
72.01729	0.9
72.99310	2.0
73.02950	17.4
75.00887	1.3
81.03459	0.5
83.01389	8.9
85.02960	25.2
86.00108	1.3
86.03281	0.9
87.00887	3.2
89.02452	6.5
95.01396	4.8
97.02967	1.8
99.00885	7.4
101.02448	40.5
102.02798	0.8
108.02194	1.3
109.02975	1.2
110.03285	0.5
111.00884	4.5
113.02455	20.2
119.03513	2.1
120.09152	0.4
123.00935	0.5
123.04536	1.5
124.01656	0.8
125.02461	1.7
129.01991	1.2
131.03450	0.5
132.47675	0.4
136.00618	0.8
136.01669	17.0
137.01959	6.2
138.02016	3.3
139.02957	0.9
139.04018	0.9
141.01981	0.9
143.03511	1.9
146.03795	0.5
148.05284	0.5
148.23801	0.5
149.06047	1.2
151.04016	20.4
152.01131	0.5
152.04352	10.9
153.01958	0.4
153.04512	6.1
153.05708	0.7
157.12328	0.6
159.03020	6.0
160.05312	0.6
161.04565	16.9
163.05069	0.7
164.04756	0.5
165.05573	1.5
171.13921	0.8
175.07675	2.0
176.08221	1.3
177.08740	0.5
179.00026	0.5
179.03535	0.8
179.05710	0.6
179.07141	0.8
180.00572	0.5
181.08775	0.5
203.31946	0.4
205.03520	0.5
245.00920	0.5
278.09296	0.5
281.24445	0.4
296.10147	0.8
297.10486	0.7
297.24710	0.6
299.25961	2.5
309.11465	0.5
310.12149	0.5
312.12814	1.2
325.14606	0.9
326.14917	0.5
327.15042	0.6
328.13031	0.6
330.03683	2.3
330.13959	0.4
343.15500	9.4
343.19354	0.7
344.15814	10.8
345.06204	4.0
345.16141	25.6
345.30087	14.8
346.16336	0.9
346.30621	0.9
463.31348	0.6
507.35419	100.0
508.28922	0.8
508.35825	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	508.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.3
61.98834	100.0
62.98526	0.2
68.96735	2.3
71.09953	0.2
82.57414	0.2
100.62782	0.3
108.02195	0.2
114.22668	0.2
125.09683	0.3
137.02405	0.2
145.03081	0.3
152.15187	0.3
163.04167	0.3
172.12299	0.3
172.98106	0.2
236.61464	0.2
299.02231	0.4
420.15152	0.3
467.16681	0.3
508.28372	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.1
58.97478	1.4
59.01378	21.8
61.98819	5.9
65.00316	2.8
67.01875	2.3
69.03472	2.1
71.01379	19.2
72.97552	1.5
72.99293	3.1
73.02964	3.2
73.60007	1.4
78.95892	1.4
82.29394	1.5
83.01402	4.4
85.02946	6.1
87.00877	2.3
89.02459	8.8
95.01397	3.1
96.96007	4.4
96.96993	2.0
97.02981	2.6
101.02447	8.8
105.03492	2.7
107.01399	12.8
108.02188	20.1
109.02966	4.3
110.57568	1.7
111.00892	5.0
111.10217	1.6
113.02451	5.3
119.03535	3.7
123.00885	15.9
123.04526	22.9
124.01638	3.8
125.02454	94.3
133.03035	3.4
136.01672	34.1
137.02473	9.4
139.00404	5.5
140.01167	4.5
141.01938	1.7
149.02434	3.4
151.00348	8.7
151.04007	25.8
152.01222	1.7
153.01833	1.9
160.01651	1.8
160.04053	2.6
161.02452	23.7
161.04512	3.1
162.02876	2.2
163.04065	1.6
165.01898	2.4
167.03529	1.6
168.00627	4.4
169.01431	100.0
170.01811	2.2
175.03996	1.6
177.01932	5.5
177.05560	2.6
179.03563	2.9
179.05620	5.0
183.02962	2.1
185.06168	3.1
186.06848	2.7
187.63927	1.5
189.07852	1.5
193.01486	3.2
195.02971	3.0
199.04111	1.8
202.57487	1.7
205.01427	29.0
206.02190	5.5
211.02400	2.8
212.04723	1.8
213.05583	2.1
214.06396	4.4
224.04831	4.9
225.05635	2.8
226.06393	2.3
227.03627	3.4
241.05299	2.7
242.05881	2.2
244.03658	1.7
252.04187	4.9
253.05054	3.4
255.02943	3.0
257.04474	1.7
267.06573	2.3
269.04587	2.4
270.05328	17.4
285.07703	11.6
285.12509	1.6
289.07294	2.7
313.05670	75.0
314.05954	3.0
329.06693	25.9
347.07642	3.2
347.11536	1.6
437.10611	2.6
463.18076	1.8
465.10406	33.2
466.10645	1.7
479.11957	1.8
506.94092	1.6
509.12772	85.3
510.12662	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	509.1297
Annotation	Mallophenol A
Peak:m/z	Relative Intensity
50.76635	0.8
51.48996	0.9
52.26913	0.8
57.03432	0.9
58.00576	1.0
59.01133	1.2
59.01384	14.2
61.98836	5.6
70.55014	1.7
71.01393	9.7
72.99320	1.4
73.02944	1.2
78.95912	0.9
83.01385	2.0
85.02942	3.1
86.42236	0.8
87.00894	1.9
89.02451	6.0
93.03451	0.9
95.01370	2.2
96.96021	3.3
96.96970	2.3
98.21898	0.9
101.02449	5.0
105.03433	1.3
108.02193	2.6
109.02969	2.8
111.00901	2.1
113.02450	2.6
119.03535	1.5
120.99678	1.1
121.02959	1.5
123.00889	2.1
123.04536	3.7
124.01649	2.0
125.02451	8.1
133.02966	1.9
137.02448	3.2
139.00467	1.9
145.02963	2.4
149.02448	2.5
151.04033	2.8
152.01184	1.8
160.01762	1.1
160.04059	6.8
161.02461	23.1
161.04503	1.7
161.55492	0.8
163.03979	1.7
165.01939	1.1
167.03456	1.1
168.00685	1.3
169.01443	4.7
169.02670	1.0
177.01982	4.5
177.05528	1.1
179.03477	1.2
185.06079	1.8
186.06798	1.7
193.01332	1.6
195.06566	1.0
197.06007	1.4
199.04002	2.7
205.01437	27.5
206.02182	6.7
209.08067	0.9
211.03984	1.3
213.05667	1.2
214.06378	2.8
224.04834	3.2
225.05574	2.6
225.82315	1.0
226.06232	2.1
227.03442	2.1
228.04283	1.0
241.05103	2.6
242.05797	1.6
243.02855	1.4
252.04230	4.4
253.05022	2.9
255.03070	2.2
259.06128	1.2
267.06708	2.5
269.04568	4.3
270.05338	17.9
271.05591	1.5
273.07620	1.2
285.07751	12.0
287.02203	2.0
287.05698	3.0
287.18729	0.8
289.07043	2.1
300.99905	1.0
313.05652	1.8
329.06653	24.5
330.07217	1.5
347.07660	2.6
347.11780	1.3
385.07950	1.4
442.42746	0.9
449.23996	1.8
452.98441	0.9
479.12665	1.4
491.12021	1.2
509.13007	100.0
510.13342	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	509.1313
Annotation	Mallophenol A
Peak:m/z	Relative Intensity
57.03435	1.8
59.01381	15.7
61.98797	1.7
67.01876	0.9
68.99844	1.2
69.03461	1.8
71.01386	10.7
72.99290	1.3
73.02930	2.5
74.99075	1.7
79.01858	1.2
81.03452	1.3
83.01377	2.2
85.02928	3.4
87.00880	1.9
88.02206	0.7
89.02443	4.2
93.03466	6.2
95.01365	2.6
95.04076	0.7
97.02946	1.7
101.02457	6.3
103.25224	0.7
107.01398	9.5
108.02170	1.6
109.02977	1.9
111.00888	2.7
113.02471	4.0
119.03474	1.3
120.99574	1.1
123.00902	12.4
123.04511	2.9
124.01680	5.1
125.02454	52.7
126.02779	1.4
126.88126	0.8
135.04515	6.1
136.05255	1.3
136.98830	1.4
137.02443	11.0
137.06024	1.2
139.00395	4.4
139.04027	4.2
140.01118	3.1
141.01907	2.1
150.03168	1.0
151.00371	9.2
151.03967	3.3
151.07626	1.2
152.01144	1.0
152.04788	1.1
153.01923	1.7
153.05557	1.2
155.10756	0.9
161.04521	1.0
163.04031	1.4
165.01848	1.9
165.05576	1.0
167.03581	1.1
168.00624	3.1
169.01431	55.6
170.01747	1.2
177.01834	1.0
177.05496	0.9
179.03433	2.9
179.05647	1.1
181.05009	1.1
183.03053	1.6
183.10287	1.0
194.05824	1.5
195.06631	15.5
197.04565	0.8
199.09682	1.4
207.02972	2.5
211.02501	1.9
227.09436	1.1
253.92551	0.7
271.04495	1.6
281.06683	6.7
282.07254	1.0
301.00064	1.0
313.05630	15.5
346.21811	0.8
347.11545	1.1
463.21783	4.5
476.15753	1.2
479.18063	0.9
491.11734	6.8
491.18231	3.4
509.12875	100.0
509.25732	5.6
510.13123	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	509.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75662	0.3
55.01842	0.4
57.03450	0.6
59.01380	3.2
61.98829	2.9
65.00336	1.1
67.01904	0.5
69.03455	1.5
69.08141	0.3
71.01391	2.5
72.99316	0.7
73.02953	0.8
79.01893	0.4
81.03456	4.5
82.00529	0.4
83.01389	1.5
85.02940	1.7
85.06606	1.0
87.00869	0.5
87.04515	0.6
89.02441	0.5
93.03438	0.4
95.01389	1.1
95.05002	0.4
97.02982	1.0
99.00922	0.3
100.28947	0.3
101.02436	2.4
107.01392	6.6
109.02952	0.4
109.06593	2.7
111.00899	1.4
111.04524	5.9
113.02435	1.8
123.00896	5.3
123.04496	0.6
124.01672	1.4
125.02456	43.0
126.02783	0.8
127.00329	0.6
127.07657	1.1
131.03494	0.8
133.06587	1.2
136.05304	0.8
136.98819	0.6
137.02448	0.8
139.00403	1.7
140.01189	2.0
141.01953	0.9
149.02496	0.4
151.00398	4.9
151.07657	26.6
152.07990	1.1
153.05597	0.9
161.04552	0.6
165.05536	0.4
167.03447	0.5
168.00662	2.2
169.01437	44.0
170.01778	0.8
177.05597	1.5
179.03539	0.5
181.04936	0.4
195.06631	100.0
196.06952	3.8
211.02402	0.8
223.02425	0.7
225.04053	0.7
234.05443	0.3
237.07712	1.0
271.04639	1.5
281.06647	0.7
313.05664	31.0
314.06012	1.5
315.18137	0.5
316.18509	0.7
317.18756	0.9
324.93878	0.4
357.11838	0.6
399.89075	0.3
491.10861	0.3
509.13019	51.3
510.13498	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1303
Annotation	Mallophenol A
Peak:m/z	Relative Intensity
57.03445	1.6
59.01375	3.4
61.98840	7.2
65.00314	0.9
65.35014	0.7
67.01896	1.4
68.99819	0.7
69.03452	2.1
69.67289	2.5
69.67630	0.9
69.67815	0.5
69.93708	0.6
71.01395	3.6
72.99287	1.4
73.02953	1.6
74.42321	0.7
79.01887	1.0
81.03453	4.9
83.01406	3.4
85.02964	2.0
85.06600	1.9
87.00893	1.3
87.04524	1.4
89.02426	0.8
95.01388	2.5
95.05028	1.1
97.02982	1.6
99.00855	0.8
101.02450	3.3
107.01402	7.0
109.06585	2.5
111.00892	2.4
111.04528	7.6
113.02453	2.7
122.03750	10.3
123.00888	8.3
123.04566	1.7
123.08234	0.7
124.01691	3.1
125.02459	55.5
127.00395	0.9
133.06584	0.9
135.04555	1.4
136.05315	1.1
136.98831	1.3
137.02473	1.9
137.06082	5.9
139.00407	3.2
139.04082	1.1
139.11334	2.0
140.01187	3.7
140.02103	0.6
141.02017	0.7
149.02487	2.0
151.00406	6.9
151.03990	0.9
151.06433	1.6
151.07658	29.3
153.05577	1.4
161.04541	1.1
164.04893	0.8
165.05637	0.9
165.09198	1.3
167.03537	2.0
168.00650	6.0
169.01442	63.4
177.05568	1.4
179.03496	2.6
181.05144	1.4
183.10309	5.5
193.08624	0.8
195.06638	95.3
196.06911	3.7
207.06824	0.9
211.02393	0.8
219.06657	1.6
221.08188	0.7
223.02461	0.7
237.07706	2.8
249.07660	0.8
254.63158	0.7
308.48965	0.7
313.05673	43.8
314.06094	1.9
331.06747	2.0
339.10950	0.9
355.70584	0.8
357.12042	3.6
449.23715	1.3
509.13046	100.0
510.13235	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	509.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	11.0
61.98821	3.0
67.15395	1.2
69.17316	3.7
69.17734	5.5
71.01388	9.8
76.51179	1.3
78.71413	1.3
81.03465	6.0
83.01402	2.8
85.02968	3.0
87.00868	1.3
89.02449	5.2
95.01393	1.7
97.02967	1.4
101.02458	3.9
102.75981	1.1
107.01391	6.8
108.02177	1.8
109.06630	2.5
111.04531	7.5
113.02430	3.4
119.03452	1.7
123.00913	5.6
123.04549	2.5
125.02460	60.2
133.06602	1.9
137.02460	2.3
139.00392	1.7
139.04015	1.6
149.02502	2.8
149.06071	5.5
151.00352	5.4
151.07658	26.3
161.02501	1.7
164.04750	1.7
167.03471	1.7
167.07156	2.5
168.00687	3.3
169.01440	64.8
170.01788	2.5
181.05110	1.6
195.06638	72.1
196.07016	3.7
211.02502	8.1
219.06662	2.2
241.03474	1.9
247.86310	1.1
253.03825	1.4
271.04645	4.7
313.05649	44.8
314.05991	2.0
329.12469	6.1
332.35544	1.5
410.93735	1.5
439.08743	7.8
486.79251	1.5
506.30487	1.3
509.13055	100.0
509.20145	9.6
509.29553	3.7
510.13348	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	509.1306
Annotation	Mallophenol A
Peak:m/z	Relative Intensity
56.98010	2.2
59.01358	4.0
64.79991	1.1
69.03415	1.0
71.01351	4.5
72.99271	1.2
74.99084	1.4
77.73064	1.1
83.01339	1.6
84.31682	1.0
85.02934	1.7
87.00845	1.6
95.01350	3.2
96.95978	2.2
99.15232	1.1
101.02411	1.7
107.01368	6.0
108.02189	11.1
109.02917	4.1
111.00923	2.7
113.02433	2.0
118.98030	2.3
120.99592	1.6
121.02934	3.2
122.03703	4.1
123.00860	10.0
123.04537	7.3
124.01617	1.5
125.02464	23.6
127.00346	3.1
131.35403	1.4
136.98781	1.8
137.02509	5.6
138.03209	4.2
139.00397	5.7
139.03949	3.6
139.89253	1.1
149.02408	1.9
150.03166	4.3
151.00351	4.4
151.03954	2.4
152.01169	15.2
152.93661	1.1
153.01924	2.7
153.05606	12.1
155.10815	1.7
161.02341	1.8
165.01808	1.8
165.05591	6.5
166.02728	5.6
166.99837	1.6
167.02191	1.9
167.03503	26.8
167.07062	1.1
167.37405	1.1
168.00551	3.1
169.00040	1.7
169.01436	28.0
177.01826	1.3
179.03430	3.2
180.04301	100.0
181.01375	2.7
181.05025	9.7
182.02245	7.7
183.02966	7.8
195.06645	85.1
196.06892	4.1
197.04561	39.2
249.05902	1.2
252.32173	1.2
255.43344	1.1
271.04535	1.5
286.74438	1.2
311.07776	1.8
313.05695	19.4
314.05734	1.3
325.23907	1.3
327.07230	15.7
341.08783	12.3
343.10184	2.5
357.11960	34.9
358.12143	2.0
438.91843	1.2
461.18286	2.6
465.13812	4.4
491.04639	2.7
509.12723	58.8
510.12802	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	509.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83200	0.7
53.56150	0.7
57.03447	1.4
59.01377	2.3
61.98827	4.1
65.00298	0.9
67.01881	1.1
69.03463	1.2
71.01382	1.3
80.00803	0.7
81.03455	6.3
83.01402	4.3
84.51913	0.6
93.07218	0.7
95.05022	1.1
96.34283	0.6
98.22546	2.0
105.96738	0.7
109.02943	1.3
117.88356	0.7
123.00875	1.0
123.04533	39.4
124.04854	1.0
125.02447	11.5
126.71889	0.7
137.02467	2.2
139.04008	1.2
149.02484	2.3
151.00372	2.2
151.04065	1.3
153.02077	0.8
163.03984	1.2
166.02750	2.2
167.03506	100.0
168.03850	2.2
169.01472	0.9
179.03371	1.5
179.29245	0.8
181.05046	7.6
183.02975	1.0
184.99651	0.8
191.03506	18.6
191.21677	0.8
192.03958	1.0
197.90204	0.8
209.04572	7.2
224.70326	0.8
226.91591	0.7
233.04549	1.3
242.99384	1.1
270.98709	1.3
298.98218	0.9
347.06750	1.2
435.10522	1.0
488.06003	0.8
509.13217	17.5
509.21082	1.6
510.13217	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63502	0.4
59.01382	1.0
61.98820	1.4
69.03451	0.8
69.05876	2.9
71.01382	1.2
71.53014	0.3
79.01895	0.5
81.03468	2.1
83.01414	0.5
85.02943	1.3
88.59937	0.4
93.03462	1.3
95.01382	1.1
108.02181	100.0
109.02969	28.5
109.04065	0.5
110.03300	0.5
111.00920	0.7
113.02419	0.4
121.02972	1.3
122.03751	0.9
123.00909	2.2
123.04532	1.6
125.02461	2.2
125.99658	0.4
127.00404	0.9
133.02975	1.1
133.34555	0.4
134.03783	0.6
135.00880	1.2
135.04521	1.1
137.02461	2.6
139.00359	0.8
151.04021	1.7
152.01161	56.0
153.01952	26.4
153.05582	5.8
154.02298	0.4
163.04076	0.9
165.01952	1.2
167.03517	1.0
167.07184	1.6
169.01445	1.3
177.02037	0.4
181.01450	0.8
182.02184	2.1
195.02974	0.8
195.06598	0.7
197.04562	18.1
198.04965	0.4
211.06163	2.9
225.04080	0.6
234.19098	0.4
239.05647	0.5
297.06122	0.8
313.05594	0.8
329.12265	1.9
341.09024	2.3
341.12637	0.5
509.13013	61.3
510.13318	6.3
529.43024	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28910	0.4
59.01368	1.2
61.98543	0.4
61.98835	1.9
62.87851	0.3
70.63391	0.8
93.03489	0.6
107.05026	0.6
108.02187	0.6
109.02951	1.0
114.59357	0.4
121.02931	0.8
125.02424	1.3
129.07091	0.4
133.02896	0.6
135.04565	0.9
137.02461	0.8
143.05051	0.7
151.00397	0.4
153.12686	0.3
158.46651	0.4
159.04527	12.1
161.02415	0.6
167.03525	0.5
169.01387	0.5
173.06056	2.4
175.07646	3.9
181.06602	0.9
181.08626	0.9
183.04514	0.7
185.06018	0.6
187.03926	0.4
197.06096	1.0
198.06905	0.4
199.07637	2.7
200.04858	0.6
201.05585	10.6
215.07204	0.5
225.05637	2.2
226.91345	0.4
241.05095	0.8
243.06628	100.0
244.06950	5.2
259.04352	0.8
270.08899	0.6
284.07263	0.4
298.08481	0.4
313.10785	0.8
491.13300	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24399	0.5
54.19238	0.5
55.24154	0.6
57.03342	0.9
57.03568	0.9
58.56067	0.6
59.01221	1.9
59.01547	1.8
59.12318	0.6
59.75494	0.5
61.98708	0.7
61.98973	0.8
68.34847	0.6
71.01234	1.2
71.01569	1.1
71.28322	1.1
72.97376	1.7
72.97794	1.2
79.95548	2.1
79.96004	1.2
83.04865	1.2
83.05287	0.7
85.02835	1.0
89.02272	1.1
94.47675	0.6
95.04836	2.2
96.95809	53.0
96.96507	12.6
96.96879	2.5
98.03574	1.3
101.02296	1.4
101.02852	0.6
108.01993	1.6
109.02721	1.9
109.03423	0.7
109.06377	1.8
109.07075	0.7
111.00719	1.6
111.04341	1.0
113.02267	1.0
113.05907	1.5
113.06609	0.6
123.04343	0.8
125.02232	5.5
134.97418	0.9
137.02203	2.3
137.09531	1.6
139.07414	3.1
140.01010	0.8
151.03807	1.4
152.00941	1.7
153.01781	1.4
153.08974	1.7
155.10550	22.5
155.11894	1.6
169.01181	3.8
180.04076	2.4
195.06662	3.6
199.09573	0.8
203.14236	1.1
205.15973	11.2
206.16042	1.1
223.16827	2.2
237.24867	0.6
249.05896	0.7
257.12802	1.2
267.13373	1.4
267.16022	16.8
268.16360	1.2
271.04437	0.8
300.99698	0.9
303.08661	1.5
303.12436	0.6
313.05701	3.9
329.10461	1.6
347.11710	100.0
348.12085	5.8
396.24695	0.7
449.24014	0.8
479.12463	1.4
491.11966	1.3
509.17456	34.7
510.17798	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	509.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03397	1.6
59.01302	16.0
59.01630	2.5
60.16399	0.6
60.75683	0.6
69.23053	4.1
71.01299	7.3
72.73891	0.6
72.99258	1.2
73.02859	2.6
81.03365	0.7
83.01321	1.0
85.02862	2.8
87.00806	1.0
89.02452	4.0
93.03374	0.8
95.01328	0.7
99.00828	0.7
101.02454	4.8
108.02095	2.3
109.02848	1.9
113.02368	2.3
119.03419	2.1
121.02850	2.4
121.04999	2.9
122.03754	9.6
123.00783	0.7
123.04402	3.4
125.02364	1.5
135.04553	6.3
136.05225	1.3
137.02371	1.7
139.11301	16.4
139.48241	0.7
147.04425	2.4
148.05240	1.3
149.06007	1.3
151.00237	0.7
151.03914	1.3
151.07616	0.7
152.01099	1.7
153.01848	1.3
154.02661	1.2
161.04630	1.4
161.05997	3.5
164.04651	2.4
165.04413	0.8
165.05568	9.1
167.03447	4.1
167.07048	0.9
169.01323	1.3
175.07477	1.1
177.05412	0.7
179.03522	0.8
179.05582	1.1
179.07059	2.6
180.07906	10.7
181.08748	3.9
181.12321	4.9
182.05725	3.1
183.10271	24.8
184.10495	0.8
185.11783	1.3
192.07828	1.4
193.08731	4.8
194.05774	1.3
195.06601	0.9
197.04417	0.9
197.08124	2.0
199.13310	1.6
209.08115	2.5
212.06837	1.7
225.11255	3.2
243.12318	1.2
265.09283	1.5
272.70773	0.7
283.09952	2.0
296.05408	0.7
297.11484	0.8
300.99847	0.8
311.07794	6.5
314.11703	2.2
317.13928	13.2
318.14285	1.0
329.13940	6.7
330.14523	0.8
332.12445	1.7
347.14990	100.0
348.15369	5.7
361.18768	2.5
461.17831	1.0
465.13971	1.1
491.21411	4.4
509.22488	54.0
510.23068	4.0
524.90540	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80149	0.8
55.01875	1.1
57.03436	1.5
58.00598	1.2
59.01094	1.2
59.01384	20.2
60.77541	0.8
61.98182	0.7
61.98820	2.0
71.01390	9.7
73.02944	2.5
73.20163	0.8
74.99094	0.8
83.01379	1.6
85.02955	4.5
87.00861	2.4
87.29093	0.9
88.43300	0.7
89.02452	7.5
93.03452	2.6
94.90369	0.7
101.02439	6.2
102.27822	0.8
108.02177	1.5
109.02948	1.2
111.00849	0.8
111.04533	1.0
113.02483	3.6
119.03516	2.2
119.05042	15.5
120.99670	1.9
121.02962	15.7
121.70483	0.7
122.03751	10.4
123.00890	2.6
123.04576	4.1
124.01676	2.6
127.11311	1.1
135.04521	2.0
136.01634	0.8
137.02438	5.2
137.06070	1.0
138.03188	0.9
141.01201	1.0
148.05307	3.2
149.02463	2.8
149.06091	3.1
151.04041	0.9
151.07666	2.6
152.01111	1.3
153.01982	1.3
154.02719	1.5
155.10779	1.6
159.15546	0.7
161.02477	0.7
161.04602	0.9
163.04039	1.4
163.07655	3.0
164.04793	9.8
166.06354	10.5
167.07146	100.0
168.07486	4.7
169.01450	1.1
171.10233	1.4
175.00406	1.0
179.05667	1.6
179.07135	2.9
180.04237	1.2
181.05109	1.0
181.73257	0.7
183.10280	0.8
190.02766	2.0
191.03223	2.2
192.03305	0.9
192.07983	0.7
199.13297	1.2
201.11333	5.7
205.05118	2.1
206.05461	1.5
207.05624	1.4
215.12886	1.8
215.58960	0.7
233.87404	0.7
236.04045	0.8
237.09476	1.0
247.36836	0.8
287.12930	6.4
303.91211	0.7
317.02371	0.8
329.14026	15.3
329.23257	5.5
330.14252	0.9
347.15012	54.0
347.24286	13.3
348.15353	3.7
348.24622	0.8
369.10822	1.1
398.34958	0.7
491.18686	1.1
491.28308	1.0
509.15945	3.4
509.29761	71.1
510.30145	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	509.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52491	1.0
55.01833	1.1
57.03427	1.1
58.00585	1.8
59.01384	38.9
61.98823	1.9
63.12048	1.1
65.67542	1.1
67.29460	1.0
67.66777	1.1
69.38039	2.6
69.38456	4.6
71.01382	24.2
72.99287	1.9
73.02955	3.4
79.60301	1.0
81.52443	1.2
83.01382	1.2
85.02956	5.5
87.00891	3.2
89.02448	33.3
93.03496	1.4
95.01410	1.7
101.02451	13.9
105.03473	1.4
108.02209	2.7
109.02966	2.6
113.02448	10.5
113.94562	1.1
117.55789	1.1
119.03510	15.1
119.05049	1.4
121.02993	7.5
122.03755	10.1
122.99107	2.7
123.04531	3.1
124.01659	3.5
131.03548	1.5
135.04543	8.0
137.02480	3.6
137.06093	3.1
143.03528	2.8
147.04535	19.4
148.05316	68.7
149.02481	3.2
149.06026	4.4
151.04012	1.4
153.05644	1.3
154.02840	1.3
161.04579	3.9
163.07660	52.2
164.04793	10.9
164.07953	2.4
165.05551	2.3
166.06387	9.7
167.07141	100.0
168.07454	3.6
171.10114	1.2
175.07607	1.3
179.03542	1.6
179.05641	8.6
179.07150	3.1
181.05095	4.4
190.02757	1.7
201.11330	2.1
205.05006	1.8
206.05452	1.9
207.05812	1.2
258.03574	3.6
259.13568	1.2
303.12390	1.7
328.11603	5.7
329.12186	15.7
329.23279	2.0
330.13483	1.3
332.15378	1.3
347.15033	32.4
347.24457	3.8
348.15488	1.9
361.12936	2.8
369.11130	1.4
385.15173	4.9
403.76776	1.3
421.09430	2.3
491.19421	10.0
509.17169	2.4
509.29889	20.9
510.29733	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	509.203
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10447	0.4
53.05839	0.4
54.53201	0.4
57.03440	0.8
59.01379	1.1
61.98831	0.4
69.03445	0.4
69.20543	2.0
69.20951	0.8
71.01379	1.1
85.02964	0.9
93.39668	0.4
107.01418	1.1
107.05042	0.5
108.02193	3.4
109.02956	2.7
111.00909	0.7
112.67162	0.3
113.02435	0.5
120.99677	0.5
121.02974	2.2
122.03748	4.8
123.00883	1.8
123.04555	3.4
124.01685	0.7
125.02465	6.9
131.46927	0.6
134.03746	1.7
135.04533	9.3
136.05313	2.4
137.02444	1.8
138.03288	0.4
139.00404	0.7
140.01186	0.5
147.04515	1.1
148.05348	0.7
149.02487	0.6
149.06120	3.1
150.03137	0.5
151.00359	0.9
151.04034	1.5
151.07671	0.7
152.01176	2.7
153.01956	2.3
153.05626	0.5
161.02477	0.7
161.06076	5.0
163.03961	2.2
166.06303	1.0
166.99805	0.5
167.03502	2.1
167.07112	0.9
169.01459	4.8
179.03523	0.8
179.07127	0.7
180.04355	0.8
180.07933	21.1
181.05118	0.7
181.08699	8.1
182.02222	1.3
182.05795	0.9
183.02997	0.6
190.06343	1.0
191.07164	1.0
192.07932	3.8
193.08727	7.6
194.05812	2.4
195.06627	2.7
196.03853	0.4
197.04526	1.9
204.91815	0.4
209.08195	3.6
211.09792	0.9
212.06862	2.5
242.07909	0.6
269.08243	0.8
271.04837	0.5
283.09729	1.0
296.10477	0.5
297.06128	0.9
297.11349	1.2
311.07675	0.8
313.05554	0.7
313.10812	1.0
314.11597	4.6
317.13959	26.1
318.14343	1.8
329.10620	0.5
329.13940	13.0
330.14227	1.2
341.08853	1.0
347.15009	100.0
348.15414	6.6
374.00009	0.6
465.09930	1.8
465.14212	3.0
509.12607	4.5
509.20282	13.7
510.20523	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.1
59.01097	1.8
59.01382	34.7
63.88261	0.9
70.90596	1.8
71.01386	12.4
73.02943	3.9
83.01374	1.5
85.02962	4.0
87.00860	1.3
87.04516	1.1
89.02449	6.9
93.03442	1.0
95.79994	0.9
99.00906	1.1
101.02452	8.5
107.01399	1.1
108.02159	1.7
109.02966	1.4
113.02484	3.5
119.03509	2.9
121.03022	1.9
121.05050	6.1
122.03764	6.2
123.04538	3.7
125.02446	2.8
135.04523	5.0
137.02478	2.3
139.11296	32.0
143.03557	0.9
147.04565	1.3
149.06070	0.9
151.00417	1.4
151.03993	1.1
152.01169	1.4
153.01956	1.4
154.02699	1.0
161.04623	2.2
161.06001	2.2
163.11285	1.0
164.04802	1.5
165.05530	5.6
167.03514	3.0
167.93010	1.2
169.01494	1.8
179.07195	2.3
180.07942	8.5
181.08731	3.9
181.12379	7.6
182.05823	2.8
183.10274	43.0
184.10640	1.8
185.11900	1.1
192.07875	1.4
193.08781	2.7
194.05869	1.1
195.06689	1.9
197.08263	2.6
199.13432	1.3
201.24370	0.8
215.93100	1.1
225.11351	8.0
243.12445	2.6
265.09235	2.2
283.10275	1.5
299.82440	1.0
311.07700	6.8
314.11856	1.1
317.13925	11.5
329.13852	4.4
341.08490	1.3
347.14993	68.9
348.15396	5.9
361.18811	1.9
362.71646	0.9
430.90939	1.1
442.56210	1.0
465.13855	2.2
491.21317	7.0
509.22470	100.0
510.16348	1.3
510.22894	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	509.2391
Annotation	Tricalysioside A
Peak:m/z	Relative Intensity
52.91146	0.4
58.00543	0.7
59.01319	23.0
59.01648	1.9
59.01807	0.8
65.10690	0.4
68.08604	0.6
71.01315	15.2
71.01747	1.0
71.04978	0.7
72.99242	1.4
85.02957	2.7
87.00823	1.2
89.02451	20.5
95.01371	1.0
101.02448	9.8
107.03440	0.4
113.02456	7.8
113.03200	1.0
115.82221	0.4
119.03512	7.8
120.99589	0.6
121.02896	1.0
121.06536	1.9
125.02410	0.7
131.03438	1.5
137.02435	0.6
143.03412	1.9
153.01917	0.5
154.02252	0.4
161.04587	2.6
161.05800	0.8
167.03464	0.6
179.04128	0.5
179.05624	8.7
180.05792	0.5
189.11397	0.5
189.12868	6.8
233.11818	1.7
254.05713	0.7
255.06538	0.5
269.08185	0.6
285.18478	1.1
295.09641	0.9
303.19702	7.2
304.19904	0.6
317.21646	0.5
329.17575	14.6
330.17932	1.4
347.18637	100.0
348.19000	6.8
361.20163	1.5
389.19711	7.1
390.19971	0.5
449.16376	0.7
479.17303	0.8
494.19473	0.8
509.14957	1.5
509.23895	51.2
510.24243	4.5
536.40430	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32384	0.1
55.01883	1.0
57.03447	0.8
57.20368	0.1
58.00590	0.3
59.01381	4.9
69.02623	0.6
69.03048	0.7
69.03471	0.3
71.01384	10.9
72.99313	0.4
73.02948	4.5
73.79626	0.2
75.00874	0.4
81.03483	0.3
83.01391	1.8
84.02158	0.2
85.02953	4.6
86.03265	0.1
87.00896	0.8
87.04520	100.0
88.04850	1.5
89.02449	2.7
95.01431	0.8
97.02940	0.8
98.21716	0.2
99.00890	2.4
99.04544	0.2
101.02450	6.4
107.01408	0.2
108.02147	0.2
111.00886	0.4
112.94688	0.2
113.02454	3.1
115.04033	0.5
123.00901	0.7
123.04536	0.3
125.02462	1.4
131.03511	0.8
137.02431	0.3
143.03491	0.5
144.44044	0.2
145.12367	0.3
149.04556	0.3
159.03000	0.5
161.04565	2.4
167.03517	0.6
181.05159	0.3
191.05582	0.3
233.06712	1.2
237.66896	0.2
269.40372	0.1
285.15182	0.2
289.16629	0.9
291.30148	0.2
293.08646	0.2
307.17575	0.8
329.13602	0.1
346.07162	0.1
377.21829	4.2
378.22223	0.2
421.20767	2.8
439.21759	0.4
509.18674	1.2
509.25986	15.9
510.26480	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.7
57.03444	0.6
58.00618	0.2
59.01094	0.2
59.01382	4.3
59.79496	0.1
61.98850	0.2
69.03456	0.4
71.01386	7.1
71.05027	0.2
72.99293	0.4
73.02576	0.2
73.02955	3.1
75.00864	0.4
81.03446	0.5
83.01389	1.2
85.02956	2.9
87.00903	1.1
87.04520	100.0
88.04874	1.0
89.02448	3.3
95.01402	0.5
97.02962	1.1
98.21857	0.3
99.00898	1.7
99.04548	0.3
101.02451	3.7
108.02184	0.4
109.02959	0.3
109.51501	0.1
111.00853	0.3
111.04500	0.2
113.02463	1.8
115.04033	0.8
123.00893	0.6
123.04543	0.2
125.02467	1.9
125.06193	0.1
129.83453	0.1
131.03563	0.9
136.01671	0.3
137.02460	0.5
141.01929	0.1
143.03522	0.6
145.12332	0.6
149.04587	0.4
151.00365	0.4
151.04022	0.4
159.03001	0.2
161.04568	1.0
164.04820	0.3
167.03481	0.3
179.03368	0.1
179.07190	0.2
191.05603	0.4
205.07181	0.5
233.06645	0.9
235.46054	0.1
257.06644	0.4
275.07693	0.4
289.16592	1.1
293.08829	0.3
307.17596	0.7
311.30368	0.2
337.94357	0.1
340.99182	0.1
377.21848	2.3
397.98932	0.2
421.15149	0.3
421.20810	5.2
422.21039	0.5
439.21964	1.0
449.13562	0.2
509.26031	15.2
510.26260	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.1
57.03455	0.9
57.76493	0.6
59.01386	19.1
61.98828	1.2
71.01388	11.5
71.28615	0.7
72.99308	1.3
73.02968	3.3
75.00813	0.7
81.03518	0.8
83.01389	2.0
85.02951	4.3
87.00887	2.7
87.02721	0.6
89.02454	5.2
93.03483	1.7
95.01412	1.0
101.02450	6.4
108.02180	2.0
109.02966	1.9
111.00900	0.9
113.02458	4.4
119.03519	1.0
119.05028	10.6
120.99644	0.9
121.02973	10.2
122.03757	8.2
123.00889	2.8
123.04527	5.7
124.01664	2.9
125.02470	1.7
125.09764	1.0
127.11321	1.7
135.04544	1.7
136.05402	0.7
137.02454	5.1
137.06068	0.9
138.03246	0.9
139.04030	0.7
141.01137	1.1
143.03510	0.8
148.05286	2.4
149.02432	2.2
149.06094	2.2
151.07668	0.8
152.01149	0.9
153.01906	0.7
153.09200	1.2
155.10776	0.9
161.04590	1.3
163.03996	1.7
163.07649	1.4
164.04811	7.2
165.05551	1.3
166.06372	6.5
167.07146	70.7
168.00745	0.7
168.07492	2.7
171.10271	2.6
175.00378	0.9
176.00809	0.9
179.05707	0.9
179.07181	2.3
180.04301	1.2
181.05112	1.2
183.10213	0.8
190.02702	4.1
190.06360	0.6
191.03207	2.7
192.03220	1.5
199.13400	2.9
201.11348	6.4
203.10870	0.7
205.05147	3.4
206.05559	2.0
207.05708	1.2
215.12874	2.4
224.06898	1.0
287.12808	3.3
311.22226	0.9
329.13998	17.9
329.23294	6.8
330.14267	1.2
347.15033	39.1
347.24323	19.3
347.28665	0.9
348.15457	3.2
348.24725	1.9
368.10321	0.7
369.10785	1.1
394.11627	0.6
447.09100	0.7
491.28616	3.7
509.15182	5.4
509.29727	100.0
510.29977	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	509.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62712	25.7
58.60352	27.1
62.32478	24.9
69.14555	98.2
69.14972	100.0
98.21803	53.1
99.93389	27.7
152.99634	30.2
254.85411	26.2
332.76791	29.1
341.72278	29.2
420.78967	29.0
509.33920	79.3
528.40002	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	15.6
65.00330	2.6
69.04796	12.1
71.01382	3.4
86.82313	1.6
95.01438	1.7
98.22491	2.8
107.01414	7.9
109.02965	4.2
113.02483	1.8
120.99670	5.2
123.00865	4.7
124.01665	3.0
125.02450	2.7
127.00410	2.7
139.00375	6.1
139.04033	7.1
140.01155	4.7
151.00398	12.6
152.01186	2.3
153.01950	14.6
154.02736	4.2
155.03514	2.7
163.00429	3.0
166.99928	2.4
168.00624	5.6
168.04260	10.3
169.01434	4.1
178.99809	5.2
182.02245	2.7
183.02982	19.7
183.06546	2.4
197.04512	9.8
211.04042	1.8
227.03462	3.4
243.03011	4.3
245.04556	2.2
255.03030	21.5
271.02469	37.3
272.03082	2.1
273.04086	2.2
300.02762	70.7
301.03543	48.8
327.07184	17.8
341.08893	2.8
417.58209	1.7
447.09369	100.0
448.09567	6.0
511.14572	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	510.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51300	0.4
59.01384	1.7
61.98836	100.0
69.09946	4.2
69.32935	0.5
71.01399	1.3
73.02974	0.5
87.42936	0.6
89.02452	0.8
96.98170	0.6
97.36531	0.5
101.02482	1.1
108.02246	0.7
113.02529	0.7
119.61209	0.5
123.00921	0.6
124.01673	0.5
124.41425	0.5
125.02468	1.0
153.01913	0.7
159.06723	1.2
193.08766	1.8
211.03201	0.5
349.13049	1.0
510.20865	1.1
522.00189	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.0734
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	3.3
57.06607	2.5
57.75698	3.3
60.02623	2.7
65.00316	9.7
66.79719	2.6
67.01881	3.8
68.99828	5.0
70.46853	6.9
71.01380	5.4
76.16946	2.8
82.36629	2.8
83.01381	13.2
107.01390	20.9
109.02953	8.2
123.00906	10.1
125.01538	5.0
125.02457	86.2
137.02502	4.9
151.00386	59.7
153.01949	100.0
167.03519	6.1
168.00642	5.6
169.01440	89.4
177.01944	7.5
178.99754	3.6
182.02269	4.8
197.04585	6.8
211.02512	12.6
217.00894	3.0
219.03122	3.1
271.04559	3.4
275.02032	3.7
300.99768	7.7
301.10733	4.5
313.05655	51.1
314.06277	3.4
370.46304	3.2
423.60794	4.2
439.08737	7.7
465.06696	51.6
466.06168	3.7
467.08160	58.1
468.08929	3.5
493.06287	20.9
511.11130	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	511.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57218	0.9
55.01884	1.0
59.01376	1.5
67.01890	1.1
69.03449	1.5
69.26110	5.0
71.01390	9.5
73.02942	1.2
76.18652	0.9
76.19144	0.8
79.01897	1.4
83.01376	1.1
85.02969	1.9
85.76337	0.8
86.73296	0.8
88.33769	0.8
94.36106	0.9
95.01391	3.6
97.02957	2.0
98.21743	1.1
101.02469	2.1
107.01397	14.8
107.64300	0.8
111.00873	2.5
113.02452	1.9
121.02914	0.8
122.25810	0.8
122.60390	0.8
123.00895	15.9
124.01659	3.6
125.02455	85.9
126.02799	2.1
136.98776	1.3
138.03223	3.1
139.00369	5.5
139.04024	4.0
139.65292	1.0
140.01143	2.8
141.01935	1.8
149.02470	1.0
151.00389	8.4
153.05536	1.7
166.99861	8.1
167.03531	1.7
168.00662	7.4
169.01436	100.0
170.01778	2.4
181.01396	1.4
182.02219	22.5
183.02937	7.2
189.01906	0.9
191.45959	0.9
193.01378	1.1
197.04579	14.6
202.40739	0.8
211.02451	1.3
241.03572	4.8
312.51953	1.0
313.05664	62.2
314.06091	2.4
327.03998	0.9
327.07095	4.8
334.35406	1.1
467.11945	16.7
468.12402	1.3
476.55676	0.9
511.10904	81.1
512.11200	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	511.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
62.36019	0.6
66.29852	0.7
67.01897	0.7
68.67429	0.5
69.03461	1.4
69.36454	2.5
69.36877	1.4
71.00977	0.5
71.01373	1.4
72.06315	0.5
74.99119	0.6
79.01879	0.6
83.01396	0.8
85.02939	0.8
87.00877	0.5
95.01402	1.7
97.02998	1.9
98.21796	1.1
101.02457	0.7
107.01396	4.2
107.82994	0.6
108.02229	0.8
109.02967	0.9
111.00909	1.7
116.25726	0.6
120.99664	1.3
121.02964	5.0
123.00872	5.3
123.04533	0.8
124.01675	4.6
125.02458	80.3
126.02826	1.6
136.98874	0.7
137.02463	1.1
138.03246	9.6
139.00395	2.6
139.04008	1.7
140.01151	1.2
151.00386	2.9
153.05566	6.4
166.99794	1.2
168.00655	8.0
169.01442	100.0
170.01810	2.3
182.02235	2.3
182.05836	5.8
183.02994	2.2
193.01511	0.8
195.02890	0.7
197.04555	7.2
197.08206	12.3
211.02542	2.3
224.81248	0.6
271.04742	1.4
313.05646	11.1
327.07104	1.0
331.06723	7.4
341.08670	0.8
359.13889	1.3
467.11581	1.0
493.13501	2.3
511.11139	24.4
512.11401	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	511.1113
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03403	1.6
59.01382	21.9
61.98846	2.8
67.01889	2.7
67.20396	1.3
68.99824	1.5
69.01939	9.3
69.02345	2.6
71.01392	6.8
71.08478	1.4
79.01886	3.3
83.01414	3.7
85.02953	2.9
95.01412	3.1
96.96025	2.9
97.02955	2.0
101.02435	2.5
107.01406	12.5
108.02142	1.5
109.02969	3.8
110.00116	6.4
111.00890	5.6
113.02445	3.2
120.99680	4.0
121.02972	17.1
123.00897	31.3
124.01668	3.9
125.02462	62.2
127.00420	3.4
136.98848	2.0
137.02449	10.4
137.99638	6.7
138.03259	2.7
139.00407	17.2
139.04015	7.5
140.01176	4.0
141.01984	3.9
149.02467	1.4
151.00407	12.7
152.01154	2.3
153.01949	56.1
153.03159	2.9
153.05560	16.9
153.99165	2.2
154.02701	6.5
155.03532	2.2
165.01938	2.4
166.99875	4.8
167.03511	4.9
168.00697	10.9
168.04297	19.3
169.01437	79.0
169.05180	2.6
180.07924	3.1
181.01398	13.4
181.08524	3.3
182.02242	14.1
183.03003	21.3
183.08833	1.3
193.01437	1.7
194.08939	1.6
196.03793	8.8
197.04567	37.7
211.02507	20.8
211.06120	6.1
224.03278	9.8
225.04097	5.8
239.05615	35.3
253.03632	2.5
269.06628	2.4
285.06287	7.0
299.07785	7.5
301.00015	1.9
313.05655	8.0
317.13931	3.9
318.14243	5.4
319.14468	4.2
327.07321	16.4
330.14316	2.6
331.14542	3.1
341.08798	7.5
347.14996	8.1
348.15320	14.6
349.15640	22.6
359.09430	1.4
451.08771	2.8
511.10449	100.0
512.10828	9.3
513.13220	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.11
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57674	3.3
58.64669	3.0
60.94232	3.6
71.01389	8.2
71.27721	5.3
80.03756	3.6
95.01408	5.0
107.01395	12.9
121.02934	6.2
123.00906	14.9
125.02448	90.6
126.02789	4.1
137.02440	6.1
137.14366	3.9
139.00426	8.9
140.01155	3.6
151.00386	13.1
151.03989	4.6
153.05585	14.0
161.02400	4.9
168.00676	7.1
169.01434	99.8
172.79720	4.2
182.02196	6.7
183.02940	4.5
197.04482	4.3
211.02466	7.3
228.04312	4.1
271.06192	11.4
275.01959	8.8
286.08508	12.4
301.00031	9.6
301.10736	25.6
313.05692	42.0
349.13129	5.0
360.44043	3.5
467.11963	21.8
511.10806	100.0
512.11176	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38647	0.6
54.02546	0.6
59.01381	2.0
60.92018	0.6
61.98825	2.2
66.99255	0.7
69.03451	1.8
71.01386	1.5
71.12956	1.1
78.70748	0.6
80.91710	3.2
81.03442	0.8
88.26617	0.7
90.50330	0.6
93.03485	0.9
95.01406	0.9
96.96024	1.5
97.02948	1.3
107.01397	0.7
108.02184	2.1
109.02969	1.9
123.00898	3.3
124.01666	4.0
125.02457	100.0
126.02785	2.1
137.02472	2.1
139.00430	1.7
139.04007	3.8
151.00340	1.4
152.01204	1.1
152.38959	0.7
153.01993	1.1
153.09163	3.8
161.02452	0.6
165.05568	0.7
167.03534	1.3
168.00696	5.4
169.01437	62.1
169.05028	3.4
170.01784	1.4
177.02036	0.7
183.02989	0.7
197.04541	1.1
197.08247	1.1
199.94478	0.7
211.02516	0.9
287.07703	3.1
311.60498	0.7
313.05765	1.1
331.06519	3.3
423.16641	8.9
424.17200	0.8
448.10007	0.8
449.11050	1.9
451.14471	1.4
467.15616	13.6
468.15778	0.9
511.14136	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	511.146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.8
59.01367	1.8
61.98825	1.5
67.01884	1.4
68.99802	0.7
69.20013	1.3
69.20421	3.5
71.01386	1.7
74.99100	1.9
75.40928	0.6
79.93274	0.6
83.01389	2.4
87.00903	0.8
89.02439	0.8
94.75599	0.6
95.01408	1.4
96.96012	1.1
97.02959	0.8
98.21793	1.5
99.00861	0.8
101.02464	0.8
107.01397	1.8
109.02978	1.7
111.00880	6.6
112.98841	0.8
119.09933	0.7
120.99664	1.1
123.00865	5.0
124.01667	1.8
125.02464	13.4
127.00383	4.8
136.98955	3.8
137.02409	2.0
138.03232	3.1
139.00391	30.9
139.04025	27.8
140.01175	4.5
153.01970	3.1
153.05594	28.7
153.09238	3.0
154.01520	1.4
154.02730	18.9
155.03549	4.6
166.99924	1.1
167.03474	1.4
168.00670	1.4
169.01456	13.3
169.05074	43.9
177.01904	0.9
182.02209	11.0
183.02969	1.9
193.01387	1.0
195.10211	0.8
197.04564	100.0
197.08249	2.2
198.04857	3.2
201.20316	0.6
211.02464	1.6
217.01582	1.2
239.05580	1.3
269.06790	1.0
296.22266	0.7
299.11404	1.0
313.05807	1.3
327.07242	1.4
341.08786	7.6
345.21112	1.5
349.20190	1.4
357.06137	1.1
359.13629	1.5
467.19714	4.6
511.14694	8.1
511.26013	2.1
512.20343	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.146
Annotation	CHEBI:67505
Peak:m/z	Relative Intensity
59.01369	1.8
60.40156	0.7
61.98567	0.6
61.98830	8.2
65.30956	0.6
69.03454	3.6
69.57909	0.7
71.01376	1.3
71.29741	0.9
72.80209	0.7
76.04714	0.8
81.03433	1.2
83.01377	2.5
85.02940	1.3
87.00861	0.8
95.01379	2.1
96.96003	0.9
97.02980	3.6
107.01389	2.1
108.02194	3.6
109.02965	1.6
121.02984	0.9
123.00875	8.4
123.04537	3.3
124.01671	18.8
125.02453	62.3
126.02782	1.9
135.08086	0.7
136.01682	0.8
137.02437	3.7
137.09694	1.7
139.00375	3.0
139.04015	1.4
149.02518	0.8
149.99593	28.0
151.00298	2.6
151.04022	1.3
152.01166	4.9
153.01959	0.8
153.09204	3.3
154.02753	1.7
163.03908	0.9
165.05573	4.6
166.99823	1.6
167.03520	9.0
167.80981	0.7
168.00647	55.1
169.01402	9.0
169.05061	3.7
179.03433	1.5
191.03537	2.0
195.97784	0.7
199.09724	1.3
204.50208	0.7
205.05128	0.8
223.09726	0.9
248.01866	0.7
261.11270	0.9
283.11942	1.2
300.99670	0.9
313.05719	1.0
331.06845	2.6
366.53757	0.8
423.16272	0.9
467.14819	0.8
511.14484	100.0
512.14825	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	511.1459
Annotation	Kutkoside
Peak:m/z	Relative Intensity
50.30482	0.5
55.01883	0.5
59.01385	13.1
59.82770	0.5
61.98822	1.5
62.05690	0.5
67.01883	1.0
69.03449	0.5
69.17504	3.7
71.01036	0.7
71.01389	10.5
72.99310	1.2
73.02937	1.9
74.99097	1.0
79.01880	1.0
81.03452	0.6
83.01382	1.6
85.02967	3.3
87.00863	2.2
87.04486	0.5
89.02454	8.1
93.03452	0.7
95.01396	2.1
96.95969	0.7
97.02956	1.1
97.06621	0.5
99.00874	0.6
101.02444	6.1
102.87570	0.5
107.01397	7.4
108.02219	0.5
109.02950	1.0
111.00897	4.6
113.02457	4.8
119.03532	3.1
121.02966	1.5
122.03764	3.8
123.00892	11.1
123.04527	1.6
124.01669	1.7
125.02460	37.4
126.02717	0.6
134.03740	0.7
135.04503	0.9
136.01649	0.6
136.98979	2.2
137.02438	1.6
139.00397	4.7
139.03957	0.9
140.01218	3.6
141.01933	1.3
149.02435	2.4
150.03239	4.5
151.00403	7.1
151.04028	0.7
153.01924	1.2
153.05305	0.5
155.33202	0.5
161.04579	1.7
164.04785	2.1
165.01987	0.8
165.05577	5.7
168.00682	4.0
169.01439	44.6
170.01727	1.6
178.02710	0.9
179.05673	2.5
179.07021	0.7
180.04176	0.6
181.05072	0.7
182.05864	6.7
183.02986	1.8
193.05003	1.6
195.06673	2.9
197.08183	4.4
211.02477	4.7
219.35210	0.6
225.04080	1.3
241.03595	1.0
261.12067	0.6
271.04608	4.3
285.06128	1.0
286.08414	0.8
287.10489	0.7
289.20227	2.3
301.10803	2.3
303.01822	0.6
313.05652	11.9
331.01215	0.9
349.08990	0.7
437.94196	0.6
451.25510	4.2
463.16190	5.7
464.16705	0.6
493.13440	2.3
511.14520	100.0
512.07703	0.6
512.14807	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	511.1456
Annotation	Kutkoside
Peak:m/z	Relative Intensity
58.73160	0.5
59.01377	9.6
61.98835	1.2
62.57969	0.6
66.91645	0.7
67.01886	0.8
69.14705	3.5
69.15099	1.4
71.01386	8.0
72.99311	1.4
73.02956	1.1
74.99078	1.7
79.01879	0.6
83.01386	1.2
85.02962	2.9
87.00870	1.6
89.02456	6.6
93.03452	0.8
95.01397	2.2
97.02935	0.7
101.02459	4.8
107.01401	7.3
109.02980	0.5
111.00904	4.1
111.10824	0.5
113.02460	2.7
119.03501	2.4
121.02970	1.3
122.03742	3.9
123.00909	11.3
123.04536	1.5
124.01698	1.4
125.02460	34.1
126.02747	0.6
127.00373	1.1
134.03699	0.8
135.04530	0.6
136.01784	0.6
136.98953	2.1
137.02440	1.4
139.00377	3.9
139.03983	1.3
140.01216	3.2
141.01953	1.1
143.03493	1.2
149.02455	1.9
150.03233	4.4
151.00380	7.0
151.03992	0.7
153.01976	1.3
161.04510	1.0
163.04051	0.9
164.04808	1.4
165.01840	0.8
165.05606	3.7
166.02748	0.7
168.00674	5.3
169.01440	46.3
170.01770	1.0
179.05618	1.2
179.07059	0.9
182.05859	6.9
183.03018	2.3
183.06601	0.9
193.05016	1.3
195.06642	2.3
197.08182	5.6
211.02483	3.6
225.04092	1.3
271.04514	3.7
285.06198	1.2
289.20184	1.1
297.06158	0.5
299.10217	0.7
301.10883	1.1
313.05646	10.6
314.06519	0.7
331.01633	0.6
349.18762	0.7
387.09592	0.6
401.50397	0.6
451.25482	3.2
463.16037	3.2
493.13333	2.6
511.14517	100.0
512.14771	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	511.146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45648	1.3
59.01368	2.8
61.98830	8.0
62.67565	1.6
65.00331	2.5
67.01888	1.9
71.01377	4.4
71.29735	2.8
74.99094	2.0
79.01907	2.0
83.01360	5.3
85.02948	4.5
87.00849	2.3
95.01381	4.3
96.60164	1.5
96.96000	3.7
101.02433	2.1
107.01397	24.1
108.02157	7.2
109.02926	5.9
110.00108	2.9
111.00888	12.9
112.98834	2.0
113.02421	2.9
120.99665	57.7
121.02917	3.3
123.00898	20.5
124.01692	11.5
125.02473	15.2
127.00356	5.5
136.98790	5.7
137.02383	4.9
137.99605	3.3
138.03186	4.7
139.00404	38.7
139.04019	25.0
140.01189	21.1
141.01888	3.3
141.31218	1.5
148.14418	1.7
151.00356	5.3
151.03996	1.6
152.01083	6.5
153.01964	48.2
153.04524	1.8
153.05592	27.7
154.02736	26.9
155.03528	25.8
165.01845	2.8
166.99899	8.2
167.03447	2.1
168.00699	10.7
168.04286	31.1
169.01421	10.7
169.05124	8.1
177.01862	5.5
178.99742	2.0
180.00288	2.0
181.01392	3.0
182.02216	14.3
183.01378	2.7
183.03008	54.7
183.06537	3.1
189.01891	6.1
197.04565	100.0
198.04810	3.1
210.66718	1.9
211.02451	3.3
217.01357	6.5
225.03847	2.0
229.96988	2.3
239.05487	1.9
255.02942	2.8
256.03235	6.0
271.02557	8.6
272.02750	12.3
300.02798	10.2
301.03232	27.7
302.03854	19.6
312.04846	2.7
313.05618	3.9
327.07208	49.0
341.08899	16.1
357.06082	4.0
371.07614	7.3
447.09360	2.0
448.09653	44.4
449.09619	2.3
496.12219	2.2
511.14380	70.3
512.14618	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	511.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.6
55.44934	0.6
59.01379	3.9
61.98808	0.9
67.01894	1.5
69.26129	4.2
71.01379	3.3
72.43445	0.6
72.99303	0.9
73.02942	1.8
79.01879	1.1
83.01396	1.3
85.02940	2.3
88.98877	1.0
95.01375	2.1
95.86668	0.7
96.96026	9.8
97.02969	0.9
99.00891	1.2
99.54476	0.6
101.02450	2.5
103.05568	0.9
106.04192	0.7
107.01396	5.9
110.00096	1.1
111.00903	5.4
113.02441	1.3
121.06615	0.8
123.00901	18.5
123.04544	1.0
124.01678	1.8
125.01550	1.1
125.02464	22.1
127.00386	1.3
135.04472	0.7
136.98824	3.0
137.02428	1.6
138.03246	2.0
139.00391	11.8
139.04012	1.9
140.01187	6.3
141.01920	2.4
151.00409	11.0
151.04031	0.9
152.01129	1.6
153.01927	6.9
153.05577	5.8
154.02724	5.6
155.03520	0.8
161.02448	1.0
165.05603	1.0
166.99879	2.1
167.03493	1.6
168.00661	6.7
168.04305	1.6
169.01450	22.0
169.05080	2.1
170.49297	0.7
181.01410	2.7
182.02211	2.8
183.03047	3.2
197.04579	22.1
208.28880	0.8
209.22163	0.6
211.02460	5.7
219.47807	0.7
224.16835	0.6
225.04082	1.7
239.05673	1.3
241.03525	1.0
270.03833	2.6
271.04510	1.0
285.06143	1.1
291.67905	0.8
313.05731	1.2
341.08661	1.9
387.79108	0.7
439.10593	2.4
451.32938	1.7
496.12115	1.2
511.14590	100.0
512.14844	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20300	0.7
59.01361	1.6
60.78291	0.6
60.78959	0.8
65.00314	0.9
67.01860	1.1
68.98843	6.8
71.01360	2.3
74.86297	0.7
79.52881	0.7
81.03422	0.7
82.00565	1.1
83.01382	2.5
91.11131	0.7
95.01386	2.1
96.96016	1.0
97.02931	0.9
99.00875	1.2
101.02440	0.9
107.01408	2.0
108.02161	1.0
109.02925	1.5
110.00105	8.5
111.00879	4.5
112.98804	1.3
113.02461	1.6
119.32784	0.7
121.02966	6.1
123.00895	8.2
124.01672	2.8
125.02457	15.6
127.00354	2.9
136.98820	1.6
137.02475	5.1
137.99596	10.2
138.03268	2.1
139.00378	13.6
139.04013	5.3
140.01164	1.0
141.02031	0.8
144.74454	0.7
151.00372	1.0
152.01207	1.8
153.01949	100.0
153.05490	5.4
153.99149	0.9
154.02750	10.0
155.03542	1.2
166.99878	2.8
167.03484	3.9
168.00696	4.0
168.04289	32.6
169.01433	9.3
169.05075	6.5
179.03677	0.8
181.01485	1.9
182.02205	9.0
182.99252	0.8
183.02995	12.6
196.03806	1.1
197.04561	18.3
211.02489	1.5
239.05661	1.6
241.82921	0.7
311.07584	1.6
313.05734	1.5
326.06290	1.0
327.07224	17.6
328.07437	1.4
341.08810	14.2
342.08969	1.0
349.15717	1.3
375.69537	0.8
388.02878	0.7
467.11783	0.8
496.12558	1.6
500.92746	0.8
511.14816	67.9
512.15155	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	511.1459
Annotation	Kutkoside
Peak:m/z	Relative Intensity
59.01375	3.5
67.01859	1.6
68.99821	1.1
69.26239	7.0
69.26630	2.2
71.01397	6.3
73.02900	1.3
79.01904	2.1
83.01402	1.9
85.02950	2.3
87.00881	4.3
89.02486	1.5
93.03429	1.6
95.01411	3.8
97.02982	1.5
98.22555	2.3
101.02428	1.9
107.01396	10.1
108.02185	2.5
111.00875	9.1
113.02460	2.9
113.11204	1.2
123.00891	21.2
123.04501	2.6
124.01691	5.5
125.01536	2.9
125.02454	46.8
127.00396	2.6
136.98859	6.0
137.02444	3.7
139.00389	14.4
139.04062	2.4
140.01178	10.0
141.01915	2.3
149.02449	3.8
151.00391	12.7
153.01932	2.2
155.00024	1.2
161.91725	1.1
163.04045	10.8
164.04787	27.6
165.05527	3.6
168.00632	16.0
169.01434	62.3
170.01822	2.1
178.02777	1.8
178.06282	2.6
179.07149	9.5
181.01439	1.4
183.02995	7.9
193.05124	2.7
210.01686	1.8
211.02495	5.7
225.04037	9.4
271.04611	3.7
285.06143	15.7
297.06201	7.6
298.05905	1.3
313.05740	9.0
327.07205	1.8
349.09079	2.2
387.09305	10.8
493.13525	80.1
494.13785	9.1
511.14590	100.0
512.15186	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	511.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57627	1.0
53.56888	1.0
55.92680	1.0
59.01374	2.6
67.01894	2.0
71.01374	5.4
81.03500	1.2
83.01393	2.0
85.02994	1.3
86.93107	0.9
93.03480	1.8
95.01404	1.7
96.96041	1.0
97.02958	1.1
98.21780	1.6
101.02480	2.1
107.01393	8.5
109.02956	7.1
110.00113	1.2
111.00877	2.4
113.02451	1.7
121.02974	11.4
123.00898	7.9
123.04520	1.4
124.01688	2.5
125.02463	37.8
127.00307	1.1
136.98839	1.5
137.02477	6.2
138.03302	5.5
139.00400	5.5
139.04025	94.7
140.01163	3.4
140.04405	2.2
149.02341	1.1
151.00362	4.6
151.04071	1.3
153.01953	2.0
153.05545	6.9
164.01227	1.1
165.01920	1.8
166.99846	1.3
167.03488	2.4
168.00623	5.5
168.04234	2.9
168.99988	2.2
169.01440	43.6
169.05070	100.0
170.05431	2.4
181.01392	2.9
182.02170	4.3
182.05864	1.1
183.02998	5.7
197.04590	19.0
211.02489	8.5
225.04108	1.4
239.05673	1.8
241.03476	1.6
253.03607	1.3
271.04565	6.4
275.01672	1.7
300.99854	1.8
313.05646	18.2
313.09216	1.7
326.06421	2.2
327.07242	3.7
331.10489	4.1
341.08789	29.8
359.09848	8.5
451.08905	3.5
511.14349	20.1
512.10608	1.5
512.15161	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	6.1
61.98838	0.8
62.88943	0.3
64.63748	0.3
67.01895	0.5
69.03453	1.4
69.47258	1.3
71.01384	3.5
72.99323	0.5
79.01891	0.3
81.03435	0.4
83.01401	0.6
85.02964	0.6
89.02451	5.1
95.01392	0.8
97.02972	1.3
101.02470	2.2
107.01399	16.6
108.01727	0.4
109.02969	0.3
113.02439	2.0
116.94499	0.3
119.03490	1.9
121.02975	0.5
123.00877	0.9
123.04489	0.4
124.01713	0.7
125.02456	63.3
126.02785	1.2
131.03535	0.3
139.00380	0.6
139.04042	0.6
143.03505	0.5
145.02974	0.4
151.00343	0.3
151.03957	0.4
161.04605	0.4
165.01912	0.3
166.06342	0.4
167.03462	1.9
168.00667	0.5
169.01434	100.0
169.71123	0.4
170.01784	2.6
179.05620	1.9
183.02986	3.3
200.80856	0.3
207.02882	0.3
209.04469	0.4
215.18198	0.4
255.10173	0.4
269.08307	0.4
269.19171	0.6
270.98630	0.3
283.09705	1.8
287.20007	0.5
288.87021	0.3
295.09839	0.4
299.08807	0.3
305.21301	1.4
311.09180	3.7
312.09857	0.5
326.11575	2.5
327.12363	0.6
329.13919	0.4
331.19189	3.6
341.13943	1.9
349.20209	18.9
350.20694	1.4
391.21237	1.5
412.13193	0.3
511.16086	15.4
511.25400	12.6
512.16522	1.3
512.25836	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.9
59.01380	4.7
60.41096	1.0
61.98824	1.9
63.97360	1.0
69.15530	7.0
71.01388	5.1
71.05028	11.2
73.02943	1.6
74.21860	1.0
81.68337	0.9
82.68668	1.0
83.01405	2.8
85.02979	1.2
87.00874	1.5
87.91455	1.0
88.63992	1.0
88.64539	1.3
89.02450	1.8
95.05047	3.7
97.02959	13.4
101.02460	3.0
102.06609	0.9
103.05566	1.1
110.31161	0.9
110.65867	1.0
111.24142	1.1
113.02486	1.6
119.05035	1.5
120.99664	75.8
121.02916	1.5
123.00880	1.9
123.04533	3.9
125.02465	2.7
129.15091	1.1
135.04552	1.5
137.02531	2.7
139.04024	100.0
139.11319	1.1
140.04381	2.7
140.60231	1.1
151.00426	1.2
159.02953	1.3
163.04060	3.9
164.04796	1.1
165.01894	1.4
165.05606	5.6
167.03572	1.3
167.07169	3.1
168.07527	1.4
169.01514	1.5
169.07695	1.5
175.04042	1.9
180.14111	1.0
181.05087	1.6
183.03004	2.5
183.06677	1.1
183.10284	4.5
247.95847	1.0
338.35559	1.0
349.15750	2.3
349.22382	1.1
423.24448	1.4
510.30234	2.1
511.18213	12.2
511.26941	9.9
512.18195	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	511.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	10.9
61.98840	1.1
62.97662	0.6
67.01905	0.6
70.93664	0.8
71.01371	1.4
74.99096	1.0
78.56319	0.6
81.03439	0.6
82.23572	0.5
90.50574	0.5
95.01385	1.2
96.96019	1.7
101.02464	0.7
102.88908	0.5
103.05389	0.5
103.06078	0.5
107.01407	1.5
109.02979	1.2
111.00916	1.2
120.99671	100.0
121.02984	1.7
122.00045	0.8
122.99490	0.5
123.00929	3.8
123.04540	1.0
124.01654	0.8
125.02458	7.9
132.02095	0.6
136.99110	1.5
137.02464	2.0
139.00374	1.8
139.03983	0.9
140.75041	0.5
141.01929	0.6
151.00392	1.5
151.04024	1.6
153.01971	2.5
153.05582	2.1
154.02704	0.9
161.02493	0.9
165.01991	0.7
166.06358	1.8
167.03508	0.6
168.00615	0.7
168.04272	0.9
169.01442	8.8
169.05087	1.4
173.07733	0.7
181.01479	2.0
181.08762	2.0
182.02254	1.7
183.03001	1.9
193.01390	0.9
196.03758	0.7
197.04550	4.3
208.62013	0.6
211.02495	2.0
211.06079	0.6
224.03345	0.6
226.09628	0.6
229.01570	1.1
239.05673	3.9
270.08966	0.6
275.02029	1.9
285.06418	0.7
300.99982	3.1
313.05692	1.1
327.07245	1.0
329.10321	1.5
333.09821	1.2
341.10007	1.3
344.12625	0.6
348.12393	1.5
359.14948	2.6
370.98419	0.7
371.15121	2.1
511.10474	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	511.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	2.5
61.71965	0.8
69.11514	4.5
71.01406	0.8
79.44038	0.7
85.40374	0.7
86.10250	0.8
88.98835	0.9
89.02512	0.8
96.96022	4.8
98.22491	1.1
98.72318	0.7
107.01453	0.7
109.02996	1.0
120.99669	100.0
123.00928	1.9
123.04613	0.8
125.02454	7.6
135.04494	0.7
137.02376	0.8
139.00441	0.8
146.18163	0.7
148.98842	0.6
151.00421	1.4
153.01959	1.6
153.09227	0.8
165.05589	1.5
168.00694	0.9
169.01425	6.8
179.47131	0.8
182.67667	0.7
183.03006	1.0
197.04723	0.9
211.02538	1.2
213.69937	0.8
217.39175	0.7
223.04346	1.1
251.22665	0.8
313.06003	0.8
439.10864	1.5
451.32837	1.3
454.93454	0.8
488.72800	0.9
511.14444	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	511.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66100	1.0
56.57328	1.1
56.98647	1.1
57.03449	1.6
59.01375	3.7
59.86245	0.9
61.98822	3.4
65.19810	1.0
69.65113	2.2
69.65512	2.0
70.57404	1.0
71.01381	4.4
73.02959	1.6
85.02962	1.7
89.02451	1.1
92.84514	1.0
93.03473	1.1
95.01405	1.9
97.02953	1.8
98.21817	1.1
101.02444	1.6
108.02170	2.0
109.02961	1.9
111.00843	5.2
111.04665	1.0
113.02443	1.8
123.00874	2.6
123.04543	3.4
123.89844	1.0
124.01676	1.1
125.02470	9.0
134.03773	1.3
135.08154	3.4
137.02451	4.7
139.00386	71.1
139.03975	2.5
140.01155	4.5
147.67267	1.0
148.70445	1.2
149.02448	2.6
150.03224	3.0
150.11729	1.1
151.00377	1.5
153.01926	5.3
153.09236	15.1
154.02728	66.6
155.03500	5.0
161.04764	1.3
164.04846	1.7
165.02028	1.3
165.05537	2.9
167.03499	10.1
167.10764	3.0
168.00626	3.0
168.04305	1.5
168.79565	1.0
169.01445	8.3
169.05074	100.0
170.05403	3.2
177.09146	1.8
179.03531	2.2
179.07101	2.7
191.03430	1.3
204.59714	1.2
269.48224	1.1
290.90167	1.3
297.13434	1.6
323.07858	2.5
343.08118	1.9
487.13986	4.0
487.64969	1.5
511.06750	1.6
511.18573	21.3
512.18182	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09178	1.3
54.33828	1.8
57.24013	1.6
59.01384	20.6
59.32453	1.5
61.98827	5.1
68.68952	1.5
71.01382	13.1
72.99299	2.7
78.95940	2.0
85.02960	4.4
89.02457	12.6
94.60385	1.5
96.96034	2.0
98.21590	2.6
99.04551	2.3
101.02451	5.7
107.01412	5.4
109.02957	2.0
113.02453	5.5
119.03517	6.7
123.00906	4.9
123.04508	2.5
125.02456	29.8
137.02438	3.4
139.00374	3.2
140.01218	3.1
143.03505	1.9
151.00455	1.8
151.03996	2.8
153.01947	1.8
165.01962	2.0
167.03540	4.9
168.00674	14.8
169.00011	2.0
169.01433	37.9
170.01678	1.9
179.05611	4.1
179.10838	9.1
211.00470	2.3
211.02493	61.9
243.06654	7.4
244.06978	5.2
245.07278	4.3
271.04608	100.0
272.04907	3.6
300.99692	2.5
331.06671	15.6
331.18988	1.8
349.13031	3.0
349.20282	4.5
359.17081	4.8
360.17404	1.9
511.18057	38.4
511.25171	2.8
512.18536	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	511.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.4
57.03453	0.5
58.31039	0.3
59.01384	3.8
59.25367	0.4
61.98823	1.3
67.01885	1.2
69.03461	0.8
69.04377	0.5
69.04779	3.3
71.01383	3.5
72.99315	0.6
73.02962	0.8
78.12099	0.4
79.01878	1.5
79.95725	0.4
80.96511	0.6
83.01392	1.4
85.02956	1.7
87.00888	1.3
87.66010	0.4
89.02457	0.5
95.01389	2.9
95.19013	0.4
97.02968	1.0
98.21760	0.5
99.00869	0.5
99.04541	0.5
101.02438	2.8
107.01394	4.2
109.02937	0.5
111.00868	2.9
111.60591	0.4
112.45821	0.4
113.02464	1.3
123.00897	18.3
123.04546	1.0
124.01665	1.8
125.02457	17.2
126.02849	0.5
127.00397	1.4
136.98790	1.8
137.02441	0.8
139.00395	6.3
139.04041	0.6
140.01183	5.3
141.01959	2.3
146.51369	0.4
151.00385	11.7
153.01938	1.2
154.99876	0.7
161.04642	0.5
163.04071	0.4
165.05547	0.7
167.03334	0.4
168.00659	4.4
169.01437	19.4
170.01860	0.5
181.05093	1.1
183.03011	1.7
209.11932	0.6
300.99988	0.8
301.03839	0.4
313.05930	0.6
359.10675	0.9
511.21884	100.0
512.22266	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	511.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.6
59.01385	4.3
61.98831	3.2
65.00336	0.5
67.01896	0.8
69.20216	3.1
71.01395	3.0
72.53819	0.4
72.99317	0.6
73.02912	0.7
74.25880	0.5
75.17712	0.4
79.01879	1.0
83.01384	1.0
85.02959	1.3
87.00879	0.6
89.02489	1.1
95.01392	2.1
97.02968	0.6
101.02419	2.2
101.78381	0.5
107.01398	3.2
111.00893	1.9
113.02467	1.3
121.02928	1.1
123.00895	14.9
123.04520	2.6
124.01654	1.4
125.02462	16.2
127.00370	0.7
136.98810	1.1
137.02455	0.7
139.00372	5.6
139.04015	0.5
140.01178	4.0
141.01938	1.7
151.00378	10.8
151.04083	0.5
153.01988	0.6
163.04033	0.6
164.04774	0.8
165.01973	0.7
167.03412	0.7
168.00665	3.9
169.01440	18.1
183.10246	0.5
207.02945	0.9
211.02502	0.9
270.05310	1.9
271.04724	1.0
298.04852	9.2
299.05441	1.3
304.11469	0.5
313.07245	11.1
475.12698	1.4
511.21866	100.0
512.22247	10.6
519.20490	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70026	0.8
55.01868	0.7
59.01398	3.2
61.98829	2.8
69.03461	0.6
71.01385	2.9
73.02947	1.8
81.03465	2.0
83.01398	0.9
85.02953	2.5
87.04523	16.1
88.04857	3.2
89.04948	1.4
95.01394	2.1
98.22554	1.4
99.00883	1.1
101.02452	1.4
108.02185	95.0
109.02978	29.1
113.02423	0.8
115.84206	0.7
119.27109	0.6
121.02985	1.2
123.00911	6.4
123.04541	1.5
124.01703	5.7
125.02461	2.0
133.02979	1.0
138.03247	1.5
138.71301	0.7
139.04054	4.0
151.04018	1.8
152.01166	60.0
153.01955	15.9
161.04544	0.9
163.04007	1.4
165.02023	1.1
165.12862	2.2
181.05132	0.9
183.13928	2.5
195.13918	1.2
213.15027	3.9
227.13074	1.0
252.28380	0.7
279.14487	0.7
293.13956	1.3
301.09415	0.9
328.29990	0.7
451.25598	0.8
511.21841	100.0
512.22125	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	511.2554
Annotation	Curcumanggoside
Peak:m/z	Relative Intensity
59.01386	27.9
61.98821	2.5
63.49186	1.3
69.94047	1.4
71.01388	18.8
71.28962	1.5
72.99301	1.6
83.01403	2.9
83.72611	1.5
85.02961	3.8
89.02452	25.0
96.96004	2.1
99.32858	1.3
101.02445	11.2
107.01447	1.9
109.02966	2.1
111.00854	1.5
112.44309	1.3
113.02465	9.7
119.03500	11.0
123.04563	4.0
125.02437	5.6
131.03470	1.8
137.02432	2.2
138.90457	1.5
139.00397	20.1
143.03568	2.0
149.04552	1.5
149.99733	1.3
151.00427	2.3
153.01949	1.4
153.09123	1.4
154.02730	25.8
161.04597	3.2
167.03513	10.5
169.01477	2.4
169.03795	2.2
169.05072	17.5
179.05630	10.7
191.03581	2.6
213.42145	1.4
287.20142	3.0
301.00034	8.2
301.03259	1.5
305.21216	7.9
331.19122	16.8
332.19498	1.7
349.20203	100.0
350.20718	6.5
363.21436	1.8
391.21323	5.6
511.18576	5.5
511.25546	61.9
512.26062	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	511.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08684	1.4
50.13935	1.4
55.91343	1.4
59.01373	6.9
61.83551	1.5
61.98838	3.2
70.61634	1.9
70.61971	1.9
71.01376	5.3
72.47738	1.4
83.01391	1.7
85.02962	2.1
89.02457	5.0
91.97478	1.4
96.87905	1.5
96.96053	2.1
101.02469	3.5
113.02477	1.9
119.03506	1.8
125.02461	8.6
152.01196	1.4
169.01445	5.3
177.82431	1.3
178.99927	1.6
219.13979	2.2
287.20233	8.3
305.21216	3.1
331.19183	49.0
332.19571	4.1
349.20206	100.0
350.20755	6.9
363.21948	3.7
391.21292	26.6
392.21826	2.0
421.22034	2.7
451.23450	10.4
483.12885	1.7
511.12155	2.2
511.25073	9.7
512.26196	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	511.2554
Annotation	Curcumanggoside
Peak:m/z	Relative Intensity
55.68877	0.5
57.03432	0.7
58.00577	1.1
59.01384	26.2
61.98831	2.8
69.03455	0.7
69.43135	0.5
69.44423	3.5
71.01386	19.2
72.10305	0.5
72.99290	1.7
73.02932	0.7
78.72330	0.6
83.01368	1.5
85.02948	2.3
87.00861	1.3
89.02450	20.6
95.01379	1.8
95.05025	0.7
96.96023	0.6
97.02950	1.3
101.02454	11.5
107.01398	7.7
109.02968	0.8
111.98207	0.6
113.02451	9.3
119.03516	10.4
121.02940	0.9
123.00837	0.8
123.04526	3.8
124.01632	0.7
125.02455	29.0
126.02746	0.8
131.03479	1.2
137.02422	0.8
139.00400	0.8
139.04065	0.6
143.03490	3.1
143.74228	0.7
149.04463	0.8
150.03159	1.0
151.00375	0.6
151.04054	0.7
161.02399	0.6
161.04561	2.3
162.41350	0.6
165.01939	0.9
167.03496	10.3
169.01436	37.2
179.05644	9.2
183.03017	1.1
208.57668	0.6
209.04568	2.2
229.16043	0.6
243.12367	1.0
269.19162	2.9
270.05310	1.2
275.59506	0.6
285.07611	0.6
287.20184	2.6
305.21228	6.5
311.09366	1.1
331.19171	16.4
332.19537	1.0
341.14355	0.6
349.20212	100.0
350.20575	8.0
363.21786	0.7
382.49893	0.6
391.21317	6.6
403.04736	0.6
511.16586	6.9
511.25485	71.9
512.25922	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	511.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57048	1.1
53.93934	1.1
59.01379	2.4
71.01361	1.7
71.27870	1.4
77.94112	1.2
81.03479	1.2
83.05025	6.8
93.03488	1.6
95.05054	3.2
96.96012	8.1
97.06635	1.4
109.02933	1.5
111.04530	1.8
112.33644	1.1
123.04527	2.6
125.02487	2.1
125.09744	4.9
129.46484	1.2
129.55592	1.1
135.08180	1.3
135.73094	1.4
137.02441	1.3
149.02484	2.8
149.06105	2.8
149.09738	1.7
151.03967	1.4
163.11305	4.2
164.04810	7.4
165.05583	1.3
165.12814	2.1
169.01422	1.7
171.10289	30.8
179.07188	3.1
185.11855	3.2
207.06648	4.2
209.11845	100.0
210.12227	5.0
221.11771	2.6
223.13408	2.0
227.12856	8.6
247.13409	8.1
265.14420	1.6
327.16235	1.5
349.85974	1.4
357.20657	1.5
375.21774	1.9
401.23468	2.0
443.20816	4.5
449.25729	3.1
467.28171	2.6
475.21198	4.4
475.27258	2.8
493.21930	2.0
493.28479	3.0
511.29977	11.5
512.29120	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	511.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48166	1.8
52.37026	1.6
69.05365	4.4
69.05769	9.4
80.33064	1.7
87.04082	2.1
92.88085	1.6
120.89697	1.8
188.08739	1.8
195.91261	2.0
432.88193	2.2
453.33786	63.2
454.34106	7.8
511.29565	100.0
512.29877	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	511.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
60.42586	0.7
74.96169	0.7
83.48329	0.7
85.99286	0.7
87.39021	0.6
95.85358	0.7
98.22617	1.4
161.14261	0.7
166.48329	0.8
313.21225	0.8
329.44763	0.6
407.32828	1.2
453.33765	54.5
454.33853	4.0
511.29492	100.0
512.29724	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	511.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92353	8.2
54.48673	8.6
59.01376	27.6
59.95663	9.3
60.28059	10.1
66.91076	10.8
69.15547	63.9
83.01377	19.1
94.32856	10.2
94.38412	10.7
98.22626	11.1
126.01987	14.1
186.99374	10.2
187.09721	12.0
199.90805	10.4
200.05652	20.4
218.06725	19.9
251.20253	100.0
288.80994	11.3
452.26520	62.0
467.32025	12.1
475.34189	60.2
479.39230	10.2
511.32648	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	511.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	3.4
70.84367	2.9
100.91010	1.7
114.50395	1.8
131.83357	2.0
142.85538	1.7
174.86401	1.9
195.41975	1.8
509.75961	1.7
511.34357	100.0
512.34552	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	511.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38256	1.6
54.80809	1.5
59.01097	3.0
59.01385	51.1
70.64809	3.3
94.70068	1.5
102.50309	1.4
103.04883	1.3
274.87808	1.4
365.00586	1.6
421.46906	1.5
511.34323	100.0
512.34760	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	24.5
60.68209	0.4
66.83144	0.4
67.50867	0.4
107.17136	0.4
111.04735	0.4
121.88390	0.6
199.96150	0.5
307.65128	0.6
331.22897	0.5
375.26733	0.7
389.28595	1.3
391.30121	1.0
405.31644	19.0
406.32001	1.7
435.29141	2.0
449.30624	1.4
451.32391	1.9
465.33752	67.7
466.34134	6.5
467.35355	1.5
511.34299	100.0
512.34619	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	511.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	4.2
67.72379	0.3
69.17287	2.1
78.95885	0.4
152.99628	0.4
224.48685	0.3
267.20428	0.3
300.22546	0.4
451.31976	0.8
495.25360	0.4
511.34305	100.0
512.34680	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	511.3435
Annotation	Acetyl-11-keto-B-Boswellic Acid, 3-
Peak:m/z	Relative Intensity
57.47002	0.3
59.01384	28.6
86.58040	0.3
87.04525	1.1
107.96792	0.3
109.02905	0.3
111.04525	1.0
113.09731	0.3
115.00465	0.3
128.87929	0.3
163.07671	0.4
174.03426	0.3
179.07205	1.4
181.08704	2.1
207.06645	2.3
209.08125	0.6
264.83151	0.3
273.11328	0.7
287.16650	0.4
288.13828	1.0
303.15967	1.9
331.15659	1.4
344.05319	0.3
385.13135	0.8
399.22253	0.3
428.18054	0.4
443.20764	15.1
444.21191	1.7
451.32141	2.0
499.40582	0.3
511.34329	100.0
512.34656	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	512.0603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35888	4.0
59.01392	4.2
71.10009	7.0
80.00766	4.2
83.01404	8.7
95.01390	12.7
95.05036	6.1
96.96015	6.6
107.01378	7.9
109.02952	18.5
111.00927	5.9
117.03465	5.4
121.02952	11.4
123.00901	33.2
123.04526	34.2
125.02454	73.5
126.02792	18.0
132.02193	4.7
133.02956	6.0
135.04507	4.5
135.81830	4.4
137.02469	22.7
138.03181	5.7
139.00426	9.9
139.04030	50.1
140.01096	6.7
140.04369	14.8
145.02942	10.2
147.04472	7.0
150.03232	6.4
151.00352	8.0
151.04015	52.5
152.00789	5.3
153.01895	11.8
159.04514	8.1
161.02509	20.4
162.03201	5.4
163.03929	9.8
164.01065	4.7
165.01895	11.2
166.99867	7.9
168.00659	7.0
169.01440	67.6
169.05075	48.8
170.01830	26.6
170.05518	22.4
173.02438	8.4
175.04007	8.0
177.01897	12.3
182.02145	9.4
183.02931	10.0
185.02455	7.6
189.01932	8.3
197.04546	15.6
198.04927	11.5
201.01891	10.8
203.03545	14.1
205.01300	8.1
205.05205	6.2
211.02466	12.7
212.02840	7.1
217.01404	8.6
219.02878	5.8
229.01427	24.9
231.02942	16.5
245.00958	8.2
245.08188	5.2
249.03891	21.2
257.00888	21.7
258.01563	11.5
261.00296	8.8
271.04706	8.6
272.05057	9.5
273.00217	6.6
275.01987	85.4
283.99414	5.4
289.07181	14.8
293.04898	4.2
299.98972	6.6
300.99930	100.0
302.00113	9.1
312.99832	9.2
313.05698	12.4
314.06036	15.2
342.09024	6.8
421.04922	5.9
436.03873	5.4
468.12488	9.3
512.10541	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	512.0603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35888	4.0
59.01392	4.2
71.10009	7.0
80.00766	4.2
83.01404	8.7
95.01390	12.7
95.05036	6.1
96.96015	6.6
107.01378	7.9
109.02952	18.5
111.00927	5.9
117.03465	5.4
121.02952	11.4
123.00901	33.2
123.04526	34.2
125.02454	73.5
126.02792	18.0
132.02193	4.7
133.02956	6.0
135.04507	4.5
135.81830	4.4
137.02469	22.7
138.03181	5.7
139.00426	9.9
139.04030	50.1
140.01096	6.7
140.04369	14.8
145.02942	10.2
147.04472	7.0
150.03232	6.4
151.00352	8.0
151.04015	52.5
152.00789	5.3
153.01895	11.8
159.04514	8.1
161.02509	20.4
162.03201	5.4
163.03929	9.8
164.01065	4.7
165.01895	11.2
166.99867	7.9
168.00659	7.0
169.01440	67.6
169.05075	48.8
170.01830	26.6
170.05518	22.4
173.02438	8.4
175.04007	8.0
177.01897	12.3
182.02145	9.4
183.02931	10.0
185.02455	7.6
189.01932	8.3
197.04546	15.6
198.04927	11.5
201.01891	10.8
203.03545	14.1
205.01300	8.1
205.05205	6.2
211.02466	12.7
212.02840	7.1
217.01404	8.6
219.02878	5.8
229.01427	24.9
231.02942	16.5
245.00958	8.2
245.08188	5.2
249.03891	21.2
257.00888	21.7
258.01563	11.5
261.00296	8.8
271.04706	8.6
272.05057	9.5
273.00217	6.6
275.01987	85.4
283.99414	5.4
289.07181	14.8
293.04898	4.2
299.98972	6.6
300.99930	100.0
302.00113	9.1
312.99832	9.2
313.05698	12.4
314.06036	15.2
342.09024	6.8
421.04922	5.9
436.03873	5.4
468.12488	9.3
512.10541	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	512.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09134	8.8
56.44454	8.0
59.01357	11.4
61.98819	28.4
68.25213	8.5
73.56621	8.9
79.95741	10.8
93.03506	11.1
96.96020	22.7
108.02185	53.9
109.02946	18.0
123.00867	19.5
123.04554	11.0
124.01656	9.1
125.02448	100.0
126.02778	9.8
137.02455	25.1
151.03908	13.3
152.01158	37.2
153.01877	14.2
169.01459	79.4
169.67610	9.9
170.01778	18.2
177.01863	9.2
197.67004	9.9
218.44392	9.9
238.84329	8.1
255.36742	9.1
272.04965	12.9
300.99884	26.1
350.15912	9.2
360.09625	11.9
449.10773	58.6
512.20129	29.5
513.20294	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	512.204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	5.8
61.98819	4.6
69.14839	5.9
69.15262	5.1
71.01357	4.4
85.02937	2.2
89.02435	2.8
96.95998	3.3
101.02450	2.2
105.01594	1.3
108.02161	5.5
109.02939	3.6
110.06114	6.5
116.05011	2.0
120.99613	2.2
121.05348	5.2
122.06115	10.2
123.04498	3.9
125.02418	4.4
137.02406	1.6
144.04549	24.1
146.06108	3.7
152.01097	4.6
160.04039	3.7
161.04588	3.9
162.05562	3.9
172.04050	10.3
173.04782	3.7
174.05544	4.4
188.03535	3.8
190.05054	2.0
201.11365	3.2
203.05811	8.8
204.06657	19.9
212.05875	2.9
227.11794	2.6
236.09462	1.6
237.10262	7.1
239.08192	5.0
251.11934	10.1
252.12590	3.9
253.06241	3.8
253.09816	3.6
267.07733	7.0
267.11301	2.9
268.08423	3.3
268.12070	3.8
280.08359	3.0
281.09293	18.5
295.10959	14.2
296.11615	27.6
297.11963	2.0
299.10324	3.1
311.10333	5.7
325.11963	3.5
328.10757	13.9
374.18512	2.1
406.17947	7.5
418.17740	29.7
419.17773	3.0
436.18832	34.6
437.18692	2.3
450.20404	4.4
462.16574	6.6
468.20908	2.4
480.17798	100.0
481.18161	11.1
494.19110	3.1
512.12457	2.9
512.20294	55.9
513.15942	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	512.204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	5.8
61.98819	4.6
69.14839	5.9
69.15262	5.1
71.01357	4.4
85.02937	2.2
89.02435	2.8
96.95998	3.3
101.02450	2.2
105.01594	1.3
108.02161	5.5
109.02939	3.6
110.06114	6.5
116.05011	2.0
120.99613	2.2
121.05348	5.2
122.06115	10.2
123.04498	3.9
125.02418	4.4
137.02406	1.6
144.04549	24.1
146.06108	3.7
152.01097	4.6
160.04039	3.7
161.04588	3.9
162.05562	3.9
172.04050	10.3
173.04782	3.7
174.05544	4.4
188.03535	3.8
190.05054	2.0
201.11365	3.2
203.05811	8.8
204.06657	19.9
212.05875	2.9
227.11794	2.6
236.09462	1.6
237.10262	7.1
239.08192	5.0
251.11934	10.1
252.12590	3.9
253.06241	3.8
253.09816	3.6
267.07733	7.0
267.11301	2.9
268.08423	3.3
268.12070	3.8
280.08359	3.0
281.09293	18.5
295.10959	14.2
296.11615	27.6
297.11963	2.0
299.10324	3.1
311.10333	5.7
325.11963	3.5
328.10757	13.9
374.18512	2.1
406.17947	7.5
418.17740	29.7
419.17773	3.0
436.18832	34.6
437.18692	2.3
450.20404	4.4
462.16574	6.6
468.20908	2.4
480.17798	100.0
481.18161	11.1
494.19110	3.1
512.12457	2.9
512.20294	55.9
513.15942	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	512.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62005	12.3
59.01384	51.0
61.98822	17.1
69.03227	100.0
71.01383	36.7
77.35374	11.5
89.02455	34.6
93.37366	13.5
93.79585	11.6
98.22601	23.2
101.02480	21.4
107.50893	12.7
111.19848	11.9
113.02489	14.6
119.03520	20.2
125.02477	17.7
161.04626	18.4
169.01439	24.4
179.05586	23.2
211.02454	21.6
243.02965	14.9
271.04675	16.6
272.04929	30.3
313.77020	14.5
398.36188	14.5
403.04483	15.9
469.28259	40.1
512.18329	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	512.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65027	5.3
57.40484	5.3
76.79299	5.7
96.36047	5.7
98.69354	5.8
111.04537	10.0
115.14072	5.6
115.65830	5.5
125.06058	7.1
148.96112	5.6
181.08672	20.4
209.08179	32.2
219.06604	6.8
223.09634	10.3
229.15916	7.9
248.06795	7.3
261.07626	9.0
275.12726	6.8
277.07880	9.0
277.10840	100.0
289.10712	6.8
303.12277	8.7
331.15643	12.0
369.13425	23.7
427.14157	7.0
427.21152	27.5
513.20648	9.1
513.25287	11.7
513.36133	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	512.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15281	51.0
52.14212	40.7
52.82579	42.4
61.87733	39.9
66.69245	41.6
67.10818	41.4
70.17668	100.0
92.59219	47.7
111.18622	48.1
114.04252	44.3
117.03191	47.8
190.63675	42.6
196.06819	58.3
200.01263	49.7
217.33813	50.9
293.45764	46.2
301.96674	43.4
313.38309	47.5
348.01501	50.3
405.96594	49.3
512.35010	98.3
513.32117	46.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29401	14.9
59.01394	18.4
61.98821	27.3
68.90009	14.9
82.14106	13.1
90.97723	16.4
98.21712	35.2
135.89436	13.5
151.23476	15.5
160.86807	14.4
208.41476	15.0
419.73376	14.2
457.51413	14.8
469.33112	43.0
482.51199	15.7
512.37592	42.8
513.31592	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	513.173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00846	3.0
55.18439	2.9
57.03456	3.4
59.01380	69.0
71.01386	40.9
77.56444	3.2
81.04533	2.8
81.57514	2.9
83.01394	4.6
85.02951	10.9
87.00885	11.7
89.02448	36.5
101.02446	22.8
108.04545	3.4
113.02470	12.8
119.03519	14.4
121.05344	7.3
122.06147	19.4
125.02426	7.8
138.05618	7.1
142.75708	3.0
150.05647	5.9
155.26021	3.6
161.04633	6.6
165.04352	6.4
166.05132	4.9
169.01396	6.9
174.12971	3.8
179.05624	5.2
188.07115	4.0
195.06445	4.4
202.12398	6.2
204.06697	5.3
211.02362	3.1
216.06657	4.4
217.07521	6.8
228.10287	7.5
229.09845	13.6
231.11404	30.8
232.11722	3.3
246.11304	18.4
253.09735	4.5
271.10895	45.5
328.10263	5.9
346.11258	6.2
383.58881	3.4
390.10364	3.2
397.13651	6.3
433.16153	3.4
451.11676	4.5
451.17172	38.9
452.16861	5.4
469.17770	5.3
495.16217	12.3
513.17139	100.0
514.17328	9.8
518.44305	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	513.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36406	1.4
53.89570	1.4
58.00583	2.6
59.01097	3.2
59.01384	58.1
61.72162	1.5
61.98819	6.7
69.17910	4.2
69.18314	6.0
71.01388	32.3
72.99306	2.4
73.02959	3.7
80.05057	3.4
83.01384	3.1
85.02960	8.8
85.69873	1.5
87.00883	8.1
89.01944	2.7
89.02451	26.9
94.06659	1.8
95.01429	3.6
99.00907	1.7
101.02455	21.7
104.48418	1.4
108.04539	2.1
113.02448	13.3
117.62350	1.6
119.03503	14.7
121.05349	6.5
122.06129	12.8
123.03242	1.8
131.03525	2.6
133.02902	1.6
135.38177	1.5
136.07669	4.6
137.02455	1.9
138.05615	7.0
140.07135	2.2
143.03526	1.8
148.04057	4.7
150.05608	5.9
158.06152	1.8
161.04660	1.7
165.04301	4.4
166.05106	8.3
173.08456	3.1
174.12859	3.0
179.05594	2.5
184.11304	6.3
188.07182	4.5
189.07951	2.1
202.12433	11.9
204.06700	8.4
204.10339	2.0
207.03712	1.6
211.77005	1.6
213.06718	3.0
216.06660	8.6
216.08775	2.7
217.07397	6.2
228.10274	4.9
229.09804	12.5
231.09218	2.9
231.11372	36.0
243.11392	3.3
246.11324	16.4
247.10954	1.6
253.09853	5.0
255.11156	1.9
270.10126	3.0
271.10870	40.5
272.11325	2.4
328.10239	2.2
346.11411	7.4
390.10211	2.1
397.13803	7.8
408.16699	2.4
426.17758	4.2
433.16196	5.0
451.17270	45.6
452.17413	3.1
469.18240	8.9
470.17133	4.0
495.16483	7.1
513.17230	100.0
514.17560	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.198
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00588	2.3
59.01382	14.8
61.98825	2.5
68.99355	4.3
68.99780	5.9
71.01395	11.8
73.02959	5.3
78.95929	1.6
79.47382	0.9
83.01408	3.2
85.02966	6.1
87.00873	1.9
87.04522	6.7
89.02438	3.6
93.03480	1.3
95.01391	2.1
96.96967	2.2
97.02959	2.6
98.57545	1.2
99.04552	1.4
101.02462	8.6
102.98632	5.4
107.01406	3.3
108.02173	1.3
111.00888	3.0
111.08188	1.3
113.02460	4.5
121.03016	1.3
123.00916	10.6
124.01687	3.1
125.02448	16.6
134.03746	1.6
135.08191	1.8
137.02454	2.2
137.06140	1.3
137.09726	5.2
139.00386	32.8
139.07700	1.1
139.11293	1.1
140.01184	9.4
142.39532	1.0
149.99620	1.3
151.00410	4.1
153.01906	2.8
154.02711	18.7
155.03534	14.7
155.10794	35.6
156.11102	1.3
163.11322	1.5
168.00720	6.6
169.01463	8.4
169.05077	18.1
169.12357	1.6
179.10851	4.3
181.08763	2.9
181.12265	1.6
183.10304	1.3
189.33533	1.2
191.10799	1.7
193.04988	1.9
195.10403	1.3
199.09784	23.3
199.13445	4.9
211.36765	1.1
213.11053	1.3
225.11270	1.7
241.10924	5.5
253.10939	2.1
283.05042	3.5
283.11978	8.9
319.07761	1.0
343.13983	2.5
361.18692	39.7
362.19107	2.5
469.14832	1.4
469.21115	1.3
513.19922	100.0
514.20422	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	513.198
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00588	2.3
59.01382	14.8
61.98825	2.5
68.99355	4.3
68.99780	5.9
71.01395	11.8
73.02959	5.3
78.95929	1.6
79.47382	0.9
83.01408	3.2
85.02966	6.1
87.00873	1.9
87.04522	6.7
89.02438	3.6
93.03480	1.3
95.01391	2.1
96.96967	2.2
97.02959	2.6
98.57545	1.2
99.04552	1.4
101.02462	8.6
102.98632	5.4
107.01406	3.3
108.02173	1.3
111.00888	3.0
111.08188	1.3
113.02460	4.5
121.03016	1.3
123.00916	10.6
124.01687	3.1
125.02448	16.6
134.03746	1.6
135.08191	1.8
137.02454	2.2
137.06140	1.3
137.09726	5.2
139.00386	32.8
139.07700	1.1
139.11293	1.1
140.01184	9.4
142.39532	1.0
149.99620	1.3
151.00410	4.1
153.01906	2.8
154.02711	18.7
155.03534	14.7
155.10794	35.6
156.11102	1.3
163.11322	1.5
168.00720	6.6
169.01463	8.4
169.05077	18.1
169.12357	1.6
179.10851	4.3
181.08763	2.9
181.12265	1.6
183.10304	1.3
189.33533	1.2
191.10799	1.7
193.04988	1.9
195.10403	1.3
199.09784	23.3
199.13445	4.9
211.36765	1.1
213.11053	1.3
225.11270	1.7
241.10924	5.5
253.10939	2.1
283.05042	3.5
283.11978	8.9
319.07761	1.0
343.13983	2.5
361.18692	39.7
362.19107	2.5
469.14832	1.4
469.21115	1.3
513.19922	100.0
514.20422	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	513.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	2.0
61.98840	0.8
63.96243	0.8
69.03441	0.9
71.01392	7.8
71.29124	0.8
73.02953	2.5
78.98234	0.4
78.98602	4.6
79.95741	9.0
80.96519	56.8
81.03478	1.0
83.01369	1.0
85.02944	2.0
87.00873	2.2
89.02461	0.7
94.98088	14.7
95.74671	0.4
96.96027	0.8
97.02931	1.8
99.04552	0.8
101.02439	4.3
104.36073	0.4
106.98121	2.8
108.02184	0.6
109.02935	0.8
110.75628	0.4
113.02451	1.4
121.02979	0.5
122.97596	4.7
125.02462	7.2
127.03951	0.5
134.97578	4.0
136.99138	1.6
137.02380	0.4
148.99156	4.6
152.98654	6.9
153.01956	0.5
155.10762	0.6
164.98627	10.3
169.01453	1.0
176.53650	0.5
179.03494	0.7
179.89777	0.4
181.24608	0.4
182.99692	1.8
183.13812	0.9
188.98567	0.4
195.14021	1.1
206.99687	2.9
213.14973	3.7
225.00734	17.3
243.01845	1.4
258.66000	0.5
299.04446	2.6
300.02759	1.8
315.05075	1.8
315.61511	0.5
477.10275	1.6
481.04941	0.5
513.20087	100.0
514.20514	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	513.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69237	5.0
59.01373	37.1
59.11035	5.9
61.49762	6.2
61.98838	100.0
67.30871	5.2
69.40942	32.3
71.01392	30.5
71.48706	5.4
73.27780	5.1
74.99093	6.5
75.71468	5.7
78.95883	7.3
83.01402	12.9
85.02965	12.1
87.00870	6.2
89.02491	12.8
96.96008	16.3
97.02978	6.9
98.22498	9.6
101.02448	23.5
107.01443	5.3
108.02207	11.1
109.02960	20.2
113.02460	9.9
123.00894	13.7
123.04525	17.5
124.01708	6.0
124.19354	5.4
125.02459	30.2
136.99107	8.9
137.02469	18.1
138.03331	6.9
149.02425	9.7
151.04039	13.4
153.01930	7.5
161.04582	6.2
163.04051	5.9
165.01825	6.9
169.01390	19.6
187.03926	6.8
189.05374	6.2
195.06702	6.4
205.05092	10.2
231.03235	6.0
245.08136	9.7
261.07733	11.6
263.09253	6.0
271.04666	6.0
289.07272	39.3
307.17719	17.8
315.08536	10.3
437.18823	7.0
438.78680	6.9
453.23615	28.9
481.18045	14.8
493.01270	5.8
513.15295	49.0
513.22235	63.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2131
Annotation	Gomisin E
Peak:m/z	Relative Intensity
59.01367	2.2
69.90166	1.0
71.05028	0.9
85.02953	10.2
89.69148	0.7
92.99788	0.8
95.01373	1.0
95.05013	4.2
99.54392	0.8
109.06606	1.1
111.04539	11.6
113.02470	2.5
113.06090	2.6
125.06079	5.2
139.04066	1.4
155.07153	3.4
169.08701	0.9
179.07047	0.9
179.10757	1.0
181.08730	1.1
183.06627	41.0
197.08182	12.1
207.06662	2.5
209.08183	3.3
221.08255	0.9
223.09760	6.6
225.07697	1.4
229.08549	0.9
240.22511	0.8
247.09732	2.5
255.10287	0.9
262.08405	2.8
283.53528	1.0
287.12866	1.6
289.10828	2.0
292.83215	1.0
301.14389	1.6
303.12262	1.7
306.68481	0.9
311.12793	1.6
315.12518	1.1
329.13940	3.2
333.05917	0.9
357.17017	1.7
373.16943	1.3
383.14914	2.0
387.14648	1.1
401.16144	2.2
407.15131	1.0
425.15988	8.9
426.17001	1.1
427.13821	1.5
451.21286	2.8
470.15833	2.0
476.04645	0.9
483.32593	1.0
495.20142	5.4
498.19031	3.8
513.21344	100.0
514.21667	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	513.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26437	0.1
55.01865	0.5
58.00583	0.3
59.01383	8.1
63.11645	0.1
70.68238	0.1
71.01386	4.9
72.99297	0.2
73.02955	1.1
83.01390	0.7
85.02947	1.2
87.00897	0.6
89.02452	4.1
95.01375	0.3
97.02970	0.2
101.02449	4.9
103.46867	0.1
109.91739	0.1
111.04561	0.1
113.02453	2.4
115.04012	0.2
119.03487	1.1
125.02467	0.2
127.07690	0.2
131.03506	0.3
133.05070	0.4
143.03499	0.5
152.99472	0.2
153.48904	0.1
161.04579	1.7
179.05624	0.6
181.08678	0.4
195.06653	0.3
205.19553	0.1
209.08093	0.2
233.22682	0.4
235.08180	1.1
238.19051	0.1
253.09305	15.8
254.09677	0.5
259.20734	0.4
275.20117	0.3
277.21735	100.0
278.22070	5.9
324.76276	0.1
328.89886	0.1
413.19730	0.1
421.31104	0.2
482.29681	0.2
495.33655	0.2
513.36420	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.4
58.00588	0.2
59.01096	0.5
59.01383	7.8
69.17364	1.6
70.57134	0.2
71.01389	5.0
72.99310	0.4
73.02947	1.0
83.01394	0.6
85.02956	1.2
87.00887	0.5
89.02455	4.4
95.01427	0.4
99.00919	0.3
101.02458	4.3
113.02454	2.3
119.03516	1.5
143.03528	0.2
150.28439	0.2
152.96738	0.2
161.04587	1.9
169.31427	0.2
179.05663	0.6
203.02850	0.2
233.22603	0.3
235.08220	1.0
239.58455	0.3
253.09305	15.5
254.09636	0.5
259.20514	0.3
275.20154	0.4
277.21732	100.0
278.22067	7.5
328.41708	0.3
451.53317	0.2
454.39502	0.2
513.35999	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3066
Annotation	Daechuine S7
Peak:m/z	Relative Intensity
56.07279	0.6
59.01374	1.1
69.65824	1.9
69.66235	1.2
71.05018	1.0
83.05056	1.0
95.05061	1.5
97.06596	11.5
97.07224	0.6
109.06575	0.7
111.04540	0.7
123.08184	5.2
125.09740	63.8
126.10095	2.6
134.51987	0.5
143.10800	1.1
155.10800	0.8
169.08748	1.2
171.10316	0.7
173.11900	6.1
181.08711	1.9
187.09772	18.5
195.06827	0.6
204.07896	1.1
209.08208	2.3
219.06833	1.1
219.10280	16.9
220.10530	1.2
225.11334	0.6
233.18979	0.9
245.04546	2.2
251.20177	2.1
259.16901	0.7
261.07587	0.7
263.20190	1.7
275.09265	9.0
277.18121	2.5
281.21158	3.0
289.18109	1.4
295.19116	1.2
299.22339	6.3
303.08759	23.8
304.09238	1.4
307.19208	5.0
321.17062	2.6
325.20242	8.1
339.18018	1.9
343.21069	3.1
350.47821	0.6
379.29980	1.3
424.05704	0.6
451.29462	0.6
459.27625	0.7
469.29852	1.4
477.28610	4.7
495.16846	0.9
495.29715	11.4
496.29593	0.8
513.17834	6.9
513.30682	100.0
514.18506	1.4
514.31067	11.3
530.40503	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73148	0.4
59.01139	0.5
59.01386	5.6
60.99309	3.0
62.70247	0.5
71.27754	0.6
76.94804	0.6
82.94323	0.5
83.05008	0.6
94.37653	0.5
95.79186	0.5
97.06581	1.5
99.07098	0.4
108.59695	0.6
125.09706	0.6
138.53114	0.5
151.72458	0.4
251.20120	0.8
284.73242	0.5
312.63147	0.5
344.82068	0.5
413.28885	1.1
453.34082	0.5
455.35336	85.5
456.35696	7.9
469.36926	13.1
470.37271	1.3
513.30109	100.0
513.36786	20.8
514.30463	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	513.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73148	0.4
59.01139	0.5
59.01386	5.6
60.99309	3.0
62.70247	0.5
71.27754	0.6
76.94804	0.6
82.94323	0.5
83.05008	0.6
94.37653	0.5
95.79186	0.5
97.06581	1.5
99.07098	0.4
108.59695	0.6
125.09706	0.6
138.53114	0.5
151.72458	0.4
251.20120	0.8
284.73242	0.5
312.63147	0.5
344.82068	0.5
413.28885	1.1
453.34082	0.5
455.35336	85.5
456.35696	7.9
469.36926	13.1
470.37271	1.3
513.30109	100.0
513.36786	20.8
514.30463	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	513.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	10.1
60.99314	1.6
93.75994	1.4
105.51492	1.3
107.73820	1.3
109.62624	1.3
116.80198	1.4
121.14519	1.3
123.08130	1.4
125.63142	1.4
148.18129	1.2
185.16389	1.4
195.25420	1.3
198.69389	1.3
334.54190	1.3
407.33353	4.5
455.35345	92.0
456.35483	10.1
513.30811	94.7
513.36230	100.0
514.30920	8.6
514.36444	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	513.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	7.5
59.01381	14.9
61.49151	2.5
61.98829	2.7
69.02021	12.2
69.02425	9.6
71.05035	4.4
72.99307	5.1
83.05046	3.6
97.06628	7.0
98.21696	6.2
111.08167	7.0
125.09706	5.8
126.52009	3.2
137.09695	3.3
139.73866	2.9
175.75867	3.0
187.09703	3.4
196.91484	2.8
223.07518	2.7
306.90714	3.8
391.26517	6.2
405.27701	5.2
407.29544	8.8
411.32983	4.2
421.31250	28.0
423.32974	21.3
425.30649	9.8
426.31149	4.3
439.32019	4.8
453.30679	3.5
455.31256	6.6
467.31708	75.4
468.32098	9.2
469.33560	100.0
470.33478	8.8
485.31281	5.9
513.28625	50.9
514.28308	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	513.359
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23698	1.6
59.01389	2.6
61.90647	1.4
63.74081	1.3
66.17348	1.3
67.22913	1.6
69.29053	2.7
69.29451	7.9
73.77858	1.4
98.21830	1.6
99.37848	1.3
99.42092	1.5
107.07253	1.4
125.09782	1.4
160.18527	1.6
214.16815	1.4
226.67422	1.6
408.18448	1.9
455.35925	2.0
513.35919	100.0
514.36371	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	513.3587
Annotation	rubiarbonone C
Peak:m/z	Relative Intensity
59.01383	9.7
60.99302	1.8
115.65939	0.4
121.33086	0.5
122.31580	0.4
131.03679	0.4
172.74481	0.4
180.98810	0.4
336.39316	0.4
382.23322	0.4
407.33389	0.6
449.34473	0.9
453.33887	6.3
455.35187	2.8
513.36005	100.0
514.36310	9.6
524.41608	0.4
530.42322	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.359
Annotation	rubiarbonone C
Peak:m/z	Relative Intensity
59.01384	10.1
60.99300	1.6
61.44205	0.5
70.92403	1.1
79.81219	0.5
100.00155	0.5
112.97520	0.5
186.50043	0.6
395.29547	3.9
453.33435	1.1
455.35336	0.9
473.59030	0.6
490.76633	0.6
495.34677	1.2
513.35931	100.0
514.36383	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	513.3603
Annotation	rubiarbonone C
Peak:m/z	Relative Intensity
54.68280	0.3
59.01102	0.5
59.01382	7.5
67.51746	0.3
94.35819	0.4
97.32047	0.3
98.21754	1.0
111.04494	0.4
113.09781	0.4
122.58825	0.4
181.08736	3.2
193.03001	0.4
209.08249	1.6
223.09830	0.5
235.06067	0.4
277.10773	5.1
303.12311	0.6
423.32767	0.5
453.33765	5.6
513.35864	100.0
514.28558	0.6
514.36243	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	513.3589
Annotation	Camaldulic acid
Peak:m/z	Relative Intensity
55.37495	0.3
59.01376	0.7
69.03215	2.0
71.04984	0.4
79.54640	0.3
80.02686	0.6
81.03465	2.1
85.06609	0.4
95.05038	11.2
95.67556	0.4
97.02971	1.6
97.06628	0.6
98.03741	9.0
98.22501	1.0
109.06567	0.4
110.03785	0.4
111.04536	1.0
111.08234	0.4
113.06100	10.9
122.92780	0.4
125.06133	1.9
125.09735	1.0
125.35938	0.4
139.01276	0.4
155.10818	0.9
179.07253	0.4
181.08717	1.3
209.08185	0.8
230.95186	0.4
235.09705	0.4
278.81604	0.4
303.03049	0.4
369.13513	0.7
397.31277	0.5
427.20975	0.4
431.31827	1.7
451.29980	0.4
451.35840	2.5
469.30261	0.9
469.36951	9.2
470.37189	1.2
495.34348	1.1
505.64651	0.4
513.35956	100.0
514.36365	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	513.3599
Annotation	rubiarbonone C
Peak:m/z	Relative Intensity
59.01384	2.7
59.23187	0.2
64.16056	0.2
66.48995	0.2
69.51180	0.2
70.91615	0.2
71.01352	0.2
73.70613	0.2
95.22888	0.2
96.44062	0.2
111.04526	0.3
121.49383	0.1
125.09730	0.3
181.08763	0.3
209.08205	0.3
253.09222	0.3
261.11218	0.2
277.21768	2.0
413.19724	0.3
453.33749	6.1
454.34192	0.7
469.33301	0.5
513.35913	100.0
514.36279	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	513.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
57.57525	0.4
59.01376	1.1
59.05685	0.4
71.05040	0.4
72.43349	0.4
76.69873	0.4
82.57356	0.4
111.04552	0.6
113.09767	0.5
123.08237	0.5
137.09787	0.5
140.74570	0.5
165.09326	0.5
181.08713	3.7
194.41708	0.6
209.08334	2.0
209.09999	0.4
221.08311	0.8
261.07785	1.0
277.07245	1.4
277.10880	3.4
277.21829	1.0
278.14096	1.6
331.11920	1.4
393.31918	0.7
418.52716	0.4
435.29178	0.6
441.23212	0.7
453.33685	2.8
469.32935	0.8
513.35968	100.0
514.36371	11.4
514.43671	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45322	1.5
59.01375	7.2
61.98824	14.8
69.17453	9.8
71.01377	6.0
73.02970	1.8
79.95757	8.0
83.51799	1.6
89.02442	5.0
89.84510	1.8
95.01389	2.4
95.95222	3.7
96.74016	1.7
96.96021	35.1
101.02445	3.8
107.01408	2.5
109.02953	3.1
110.97652	1.9
111.00860	2.5
113.02508	2.0
119.05054	2.4
123.00901	13.1
123.04573	2.6
125.02473	19.4
134.03775	5.6
135.04547	2.0
136.01703	5.8
139.00369	5.3
140.01140	3.6
149.02460	4.1
149.06123	2.4
150.03252	6.5
151.00371	10.4
151.04013	6.9
155.17410	1.6
165.05573	6.8
168.00650	5.9
168.24826	1.5
169.01430	24.8
195.06613	4.8
211.02444	5.3
241.05093	6.4
253.55130	1.7
256.07437	3.8
271.04736	4.7
271.09769	14.8
290.07767	1.8
299.09311	2.7
322.76917	1.7
451.12518	100.0
452.13226	8.5
459.12485	2.0
467.17148	8.1
514.16516	3.6
515.12140	27.2
515.18030	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	514.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07904	6.7
58.00597	7.9
59.01385	100.0
61.98830	28.3
69.03482	12.8
69.14251	28.8
71.01388	85.0
73.02950	34.6
74.40115	5.8
81.03455	10.0
83.01390	9.5
85.02953	37.2
89.02464	40.2
93.03472	15.5
95.01427	7.4
96.96027	19.1
97.02982	12.5
101.02455	60.2
103.04028	52.5
110.20839	8.4
119.03512	27.8
125.02453	77.4
127.04086	7.8
137.02417	38.6
139.04056	10.0
143.03523	11.1
148.05344	44.1
151.03973	7.9
163.06140	49.0
163.07668	20.0
169.01465	16.6
169.05128	8.3
177.34702	6.7
247.08301	18.7
266.80496	6.2
307.10370	30.5
316.08337	6.1
366.95364	7.2
514.20465	11.6
514.27319	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	514.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28659	0.2
56.24308	0.2
59.01380	0.3
61.01818	0.2
61.98833	100.0
62.74529	0.2
67.67141	0.1
69.11297	1.1
84.05388	0.2
84.14890	0.1
91.53828	0.1
108.02186	0.2
109.03044	0.2
110.91436	0.2
125.02493	0.5
152.01192	0.3
168.00700	0.2
169.74565	0.2
197.72491	0.1
236.04655	0.2
377.12857	0.3
402.55338	0.2
428.17014	0.2
434.16193	0.2
448.16315	0.2
452.33395	0.2
454.33633	0.9
514.32495	0.3
515.18237	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	2.0
61.84142	1.4
69.15253	8.3
69.15663	3.4
71.05006	2.6
72.86040	1.3
81.96511	1.4
127.37414	1.7
152.99586	2.7
166.04332	1.8
184.39455	1.4
188.79622	1.5
271.37579	1.6
375.80365	1.6
454.34158	4.7
455.35318	3.6
514.36224	100.0
515.37445	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	514.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07019	5.5
59.01373	9.7
60.50085	4.9
66.52125	4.9
69.18872	12.6
69.19277	27.5
76.36844	8.4
76.47204	6.1
89.02444	5.9
98.22575	8.0
101.94897	5.8
115.31088	5.5
129.24179	5.2
169.52147	5.3
181.08707	13.8
209.08202	10.1
253.09274	10.2
261.07736	8.8
277.21683	36.5
278.22089	76.4
514.36432	100.0
515.29816	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	515.1231
Annotation	Dexamethasone sodium phosphate
Peak:m/z	Relative Intensity
52.77035	0.4
55.61331	0.4
61.84361	0.4
65.95338	0.4
68.65182	0.4
79.95743	25.3
80.96551	0.8
82.49383	0.4
95.95242	10.1
96.96019	100.0
97.95986	0.4
98.21785	0.9
102.86074	0.3
106.63802	0.4
109.02928	0.5
110.97584	5.8
125.02432	0.8
134.03767	0.4
136.01646	1.1
137.02548	0.5
147.71184	0.4
149.06133	0.7
150.03233	1.7
151.04037	1.2
155.79675	0.4
165.05545	1.1
167.00212	2.9
177.01947	1.1
183.00873	0.4
192.04286	0.6
195.06665	0.6
207.06648	0.9
241.05052	1.2
256.07397	0.7
271.09851	2.0
289.03906	1.2
301.44949	0.5
327.08929	0.4
342.11230	0.4
345.10007	0.5
405.11987	1.2
429.08707	0.8
467.17160	1.0
485.07498	4.3
500.10138	3.2
501.10962	0.5
515.12311	72.0
516.12653	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	515.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.8
59.01384	46.4
69.58521	5.8
69.58916	3.4
71.01381	32.3
72.27905	2.6
72.99295	6.6
73.02942	24.4
75.00851	3.9
78.95945	2.7
81.03481	2.6
83.05024	8.4
85.02945	7.9
87.00908	4.7
89.02447	49.0
93.03461	49.5
96.96974	2.9
98.21777	4.3
99.00890	8.5
99.04536	6.2
101.02441	16.2
111.00827	2.9
111.04517	21.2
113.02473	13.5
115.00330	2.7
119.03487	16.7
129.01964	4.2
131.08261	59.8
133.01466	2.5
137.02448	14.5
142.99867	9.7
143.03482	7.4
155.03525	10.9
161.04550	6.3
172.07318	3.6
173.00923	3.0
173.04553	100.0
173.09164	4.5
173.10460	46.1
179.05621	25.4
220.87067	2.6
341.10886	97.8
342.11279	3.8
418.21909	2.5
521.53436	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	515.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32131	1.4
59.01392	8.6
61.98816	3.2
66.09499	1.6
69.03414	1.2
69.96129	2.6
71.01385	7.2
73.02953	1.7
79.01891	1.4
81.03452	2.4
83.01376	4.0
85.02972	6.9
87.00873	5.5
87.05038	1.3
89.02435	5.0
93.03471	17.7
95.01383	3.0
96.95997	5.7
96.96931	1.9
101.02439	3.2
108.02176	3.2
109.02920	4.0
111.04510	4.7
113.02440	2.8
114.13280	1.3
116.92828	4.2
119.03531	1.5
119.05039	2.2
121.02946	2.7
123.00867	5.5
125.02456	9.9
127.03918	1.6
135.04529	12.9
137.02502	2.0
140.01169	1.6
145.02968	1.6
149.02434	1.7
151.03902	1.9
152.01122	3.2
153.01895	2.1
161.02414	7.6
161.06073	3.0
163.03998	3.8
164.04787	2.8
169.01471	7.8
173.04515	5.2
177.05577	1.7
179.03514	9.8
179.07077	4.3
189.01857	1.8
189.05608	1.5
190.02748	1.9
191.03561	5.8
191.05617	82.0
192.05908	2.6
203.03519	2.3
205.05063	60.5
206.05469	2.7
211.02461	2.1
215.03470	5.7
217.01439	1.4
231.02995	2.2
233.04550	100.0
234.04811	4.3
245.04436	3.0
249.03926	2.0
271.04486	3.6
275.01968	3.8
275.05649	2.0
300.99841	3.1
335.07675	3.4
341.08194	1.5
353.08759	11.9
390.52356	3.3
395.09842	2.0
455.21378	1.5
467.04642	1.6
515.13873	93.3
516.14905	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	515.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23660	0.8
52.73245	0.9
55.01877	2.0
57.03466	1.3
58.00587	1.3
59.01381	24.3
65.03954	1.2
69.03467	1.3
69.34705	2.4
69.35112	2.2
71.01388	21.4
72.99307	1.2
73.02951	25.7
81.03474	2.7
83.05040	10.1
85.02955	9.0
87.00865	1.7
89.02451	24.2
93.03465	60.3
94.03805	2.3
95.01390	1.0
99.00886	6.5
99.04539	6.7
100.78159	0.8
101.02435	8.2
102.96860	0.8
109.03008	0.9
111.00874	1.8
111.04528	21.8
113.02454	8.6
119.03517	8.6
123.32658	1.1
129.01965	3.0
131.03502	1.8
131.08299	5.3
137.02454	18.3
143.03496	6.5
155.03514	11.7
161.04565	3.1
169.44405	0.7
173.04555	100.0
173.10493	3.3
174.04915	2.6
179.05626	15.1
341.10895	67.1
342.11249	3.1
377.51788	0.9
515.16089	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	515.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39412	1.4
55.01883	1.4
58.00568	2.3
59.01094	3.0
59.01383	40.4
62.11341	1.2
69.13990	8.0
71.01385	32.9
72.99310	3.9
73.02953	23.7
78.95918	3.0
81.03457	1.9
83.05029	9.1
85.02966	9.8
87.00883	4.8
89.02452	38.4
93.03466	59.9
95.01404	1.9
96.95999	2.6
96.96957	4.7
98.21813	3.0
99.00896	5.8
99.04508	6.7
101.02448	14.7
109.02973	2.6
111.00894	5.6
111.04524	25.3
113.02449	13.6
115.00405	1.5
119.03497	10.7
125.02435	1.5
126.28236	1.2
129.01926	4.1
131.03558	2.1
131.08272	57.6
137.02458	16.9
142.97357	1.3
142.99854	5.7
143.03523	6.5
155.03523	11.4
156.07826	1.5
161.04572	5.1
172.89937	3.0
173.04556	100.0
173.10449	38.9
174.04849	1.7
179.05605	23.0
185.34059	1.3
191.05579	8.2
231.39470	1.4
285.06113	2.2
341.10898	82.5
342.11221	3.5
353.93732	1.5
412.36160	1.5
434.67844	1.5
515.15192	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	515.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	1.6
57.03424	2.1
59.01383	8.4
61.98823	2.8
68.99950	13.3
69.00271	1.8
71.01378	6.6
73.02944	5.6
79.95742	21.8
85.02956	3.6
87.00883	2.1
89.02465	3.6
93.03481	2.7
95.01363	2.0
95.05048	1.4
95.95233	8.4
96.96019	90.3
97.02948	2.2
98.22493	2.7
101.02455	5.0
107.01364	3.6
108.02184	30.7
109.02977	25.3
110.97594	6.1
111.00895	2.0
113.02451	3.8
119.03522	1.6
120.67874	1.5
121.02977	4.4
122.03758	2.4
123.00879	6.8
123.04535	4.1
125.02471	12.7
125.09752	1.8
131.03534	1.5
134.03745	6.1
135.04611	2.1
136.01648	6.5
137.02454	4.5
139.00333	3.0
139.04008	6.0
147.04491	1.9
149.02438	4.1
149.06004	3.0
150.03238	12.1
151.00346	7.5
151.04041	10.2
152.01160	34.9
153.01907	11.0
161.02475	2.1
164.04710	1.7
165.01917	3.4
165.05583	12.0
167.03545	1.9
168.00668	2.2
169.01479	10.9
173.11794	1.6
177.01959	2.8
179.03323	1.8
181.05078	2.0
191.03493	2.1
193.01430	1.8
193.08661	3.4
195.02986	1.6
195.06656	5.0
209.04422	1.7
211.02505	2.6
213.05629	3.5
213.21169	1.4
241.05112	9.9
248.28374	1.5
256.07379	4.8
261.49747	1.5
271.04730	2.4
271.09744	17.3
283.04636	1.5
285.07715	2.6
286.39584	1.6
289.07272	2.2
299.09311	2.8
300.99890	1.8
315.07224	2.6
317.02988	3.7
317.06635	6.0
319.11838	1.6
332.86981	1.4
350.68015	1.6
452.12817	9.3
467.17242	8.4
485.07599	4.4
497.16327	2.4
500.10287	2.6
515.11896	50.3
515.17798	100.0
516.11371	3.5
516.18951	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	515.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	1.6
57.03424	2.1
59.01383	8.4
61.98823	2.8
68.99950	13.3
69.00271	1.8
71.01378	6.6
73.02944	5.6
79.95742	21.8
85.02956	3.6
87.00883	2.1
89.02465	3.6
93.03481	2.7
95.01363	2.0
95.05048	1.4
95.95233	8.4
96.96019	90.3
97.02948	2.2
98.22493	2.7
101.02455	5.0
107.01364	3.6
108.02184	30.7
109.02977	25.3
110.97594	6.1
111.00895	2.0
113.02451	3.8
119.03522	1.6
120.67874	1.5
121.02977	4.4
122.03758	2.4
123.00879	6.8
123.04535	4.1
125.02471	12.7
125.09752	1.8
131.03534	1.5
134.03745	6.1
135.04611	2.1
136.01648	6.5
137.02454	4.5
139.00333	3.0
139.04008	6.0
147.04491	1.9
149.02438	4.1
149.06004	3.0
150.03238	12.1
151.00346	7.5
151.04041	10.2
152.01160	34.9
153.01907	11.0
161.02475	2.1
164.04710	1.7
165.01917	3.4
165.05583	12.0
167.03545	1.9
168.00668	2.2
169.01479	10.9
173.11794	1.6
177.01959	2.8
179.03323	1.8
181.05078	2.0
191.03493	2.1
193.01430	1.8
193.08661	3.4
195.02986	1.6
195.06656	5.0
209.04422	1.7
211.02505	2.6
213.05629	3.5
213.21169	1.4
241.05112	9.9
248.28374	1.5
256.07379	4.8
261.49747	1.5
271.04730	2.4
271.09744	17.3
283.04636	1.5
285.07715	2.6
286.39584	1.6
289.07272	2.2
299.09311	2.8
300.99890	1.8
315.07224	2.6
317.02988	3.7
317.06635	6.0
319.11838	1.6
332.86981	1.4
350.68015	1.6
452.12817	9.3
467.17242	8.4
485.07599	4.4
497.16327	2.4
500.10287	2.6
515.11896	50.3
515.17798	100.0
516.11371	3.5
516.18951	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	515.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	20.6
58.00578	2.0
59.01379	29.3
61.98856	1.5
63.61885	1.2
69.03448	3.0
69.17635	10.2
71.01385	4.9
73.02948	4.6
78.94007	1.4
81.03458	2.4
83.01401	9.3
85.02956	1.5
87.54089	1.3
89.02439	4.1
93.03470	2.1
93.62907	1.3
95.05035	2.0
97.02966	1.8
101.02436	2.7
108.78401	1.3
109.02950	13.0
111.00873	2.9
113.02451	1.7
117.03518	1.8
123.04533	5.9
125.02452	93.0
126.02830	2.7
135.04536	1.5
137.02451	52.2
139.04030	2.0
139.11295	17.6
145.02957	19.4
146.03714	3.9
146.22243	1.7
148.05347	7.9
149.02470	6.5
149.04491	1.8
151.03970	4.1
159.04538	10.1
161.02461	2.9
161.04791	1.1
161.06094	8.4
163.07722	6.7
165.09140	2.0
174.03168	1.6
179.03557	2.0
181.06641	1.3
181.12355	10.7
183.04483	3.0
183.10271	31.0
185.06126	7.4
187.04024	5.0
188.04839	1.7
199.07562	2.1
199.13383	8.8
201.05600	5.5
203.07162	11.1
205.05067	2.8
209.06218	2.9
211.03893	2.5
225.05687	1.7
225.11217	7.0
227.07104	6.8
229.05035	2.8
243.12364	100.0
244.12791	2.9
245.08223	8.4
253.05054	15.7
271.06128	55.2
272.06671	1.5
289.07159	32.2
297.21179	1.5
305.14044	2.9
349.18588	2.4
365.16058	13.0
369.17099	2.9
377.16132	12.6
382.94382	1.7
411.17990	4.0
471.20193	6.2
475.93399	1.9
487.34195	4.5
497.18295	1.5
515.19159	34.4
515.28595	4.8
516.19586	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	515.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40676	1.1
54.14224	1.2
57.03445	1.5
59.01382	1.8
62.40748	1.6
70.32117	1.5
70.32452	3.2
71.01385	3.2
79.95750	7.9
81.64868	1.3
93.03462	5.1
95.01378	1.6
95.95242	3.7
96.96024	25.8
101.02477	1.5
101.86008	1.5
107.01431	3.6
108.02205	2.3
109.02970	3.0
111.00900	1.7
121.02972	9.9
122.03767	15.4
123.00923	6.3
123.04510	4.3
125.01547	1.9
125.02456	31.3
133.02968	2.9
134.03748	10.4
135.04512	3.1
136.01685	28.1
136.98904	1.3
137.02432	3.7
139.00426	2.1
140.01193	1.8
149.02457	25.5
149.06093	4.6
150.03244	96.9
151.00362	2.8
151.04030	34.1
161.02435	4.1
161.04553	1.4
164.04828	4.2
165.05586	100.0
166.05952	2.9
167.03531	2.6
168.00604	1.4
169.01436	16.0
177.01936	2.9
180.04250	7.3
181.05084	1.5
195.04820	2.3
195.06631	52.0
196.06989	1.7
211.02426	3.1
212.04865	2.2
213.05606	12.8
217.01468	1.2
223.04010	4.2
224.04741	1.5
239.03253	1.2
239.05621	1.4
241.05104	42.3
242.05333	2.5
243.02881	1.6
247.00325	1.2
256.07449	27.3
257.07993	1.7
266.58646	1.2
269.04578	2.3
271.04700	5.3
271.09775	76.3
272.10181	3.6
284.06894	2.3
285.07672	1.7
289.07117	2.1
299.09366	6.7
300.09402	1.4
300.99780	3.5
319.11801	3.6
443.71170	1.3
467.17166	7.1
483.15524	1.9
497.16812	4.3
515.12036	17.1
515.17926	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	515.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94079	0.7
59.01382	7.0
69.11800	5.3
71.01385	5.3
73.02944	1.8
75.21671	0.7
78.95892	1.3
79.95759	0.7
85.02954	1.0
85.45588	0.6
89.02444	6.2
93.02967	0.7
93.03446	4.1
96.96021	2.3
96.97002	1.6
101.02450	2.3
111.04539	1.8
113.02465	2.5
114.05625	1.2
119.03541	2.0
125.02542	0.6
131.08275	100.0
132.08620	1.2
134.41177	0.6
137.02432	1.4
139.52013	0.6
139.73831	0.6
143.03531	1.1
155.03474	1.1
156.07756	4.6
156.65291	0.6
172.89925	0.8
173.04616	8.3
173.10445	75.1
174.10722	1.4
179.05656	4.1
240.40579	0.7
341.10861	15.3
434.97949	1.4
451.80389	0.7
515.11981	1.1
538.92908	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	5.6
60.25537	0.5
71.01394	4.0
72.99310	0.8
73.02951	0.6
78.95887	0.8
79.95764	0.7
85.02944	1.4
89.02441	5.3
93.03453	1.1
96.96007	1.0
96.96954	1.0
97.99495	0.5
98.84499	0.5
101.02428	1.4
107.84899	0.5
109.42938	0.5
111.00885	1.2
113.02460	1.8
114.05658	0.8
119.03519	2.1
125.02422	1.0
131.08272	100.0
132.08595	1.6
133.01416	1.0
137.02466	0.7
149.04503	0.7
149.37312	0.6
154.95773	0.6
156.07803	4.4
161.04585	1.0
173.04619	1.8
173.10446	79.0
174.10733	2.1
179.05634	3.1
191.02000	0.9
215.39314	0.5
238.89484	0.6
261.00769	1.9
270.23038	0.5
341.10898	11.4
342.11191	0.8
372.56921	0.6
434.97925	0.9
514.22913	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.3
58.11515	1.4
59.01370	1.5
61.33125	1.3
62.33508	1.2
63.45893	1.3
71.05048	1.7
73.56435	1.3
79.01884	1.6
83.05053	2.3
85.02960	3.7
85.06601	2.7
87.04533	2.6
95.01376	1.7
95.05028	3.0
101.06087	1.5
106.00531	1.3
109.02943	1.5
109.06596	7.9
111.04543	16.3
113.09718	8.5
121.06668	1.4
123.08170	7.2
125.02441	1.9
125.06071	9.4
127.07689	1.4
129.49751	1.4
137.02451	1.8
138.03267	1.3
139.04024	6.2
141.51021	1.4
151.07692	2.2
152.01227	2.5
153.05559	8.5
155.07188	1.5
163.07707	1.5
163.11259	2.2
165.05649	2.7
165.09209	8.8
167.07149	3.2
169.08661	1.7
174.85382	1.4
179.07228	1.6
179.10730	7.1
181.08728	45.9
182.09058	2.2
183.06630	2.3
191.07108	1.7
191.41714	1.5
193.08621	7.8
193.12425	2.1
194.05820	2.1
195.06697	6.4
195.58005	1.4
197.08240	2.6
207.06674	3.4
207.10121	1.9
208.07394	1.6
209.08205	32.8
210.05397	7.4
211.09790	12.0
219.06616	1.4
221.08191	6.6
221.11806	2.7
222.05307	2.7
223.09789	6.5
224.06866	2.6
225.07750	3.1
231.13852	1.4
232.11337	1.5
233.08273	1.8
233.15515	2.9
235.13440	3.3
237.07675	2.8
239.09262	2.9
247.09785	5.8
251.12769	2.3
261.11301	3.4
263.12927	4.2
265.10828	40.9
275.16507	4.1
277.14474	32.2
278.14862	1.9
279.12402	100.0
280.12744	6.0
289.10953	4.6
303.12354	4.8
304.13092	4.8
305.13992	3.7
317.13916	3.7
333.17017	10.6
377.79156	1.3
399.21579	2.2
431.65219	1.3
449.91086	1.4
471.30774	1.6
515.22900	6.8
515.29761	5.8
521.43549	1.5
522.62323	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.3
59.01355	1.3
59.17256	1.6
60.77187	1.3
61.98822	5.9
69.72173	3.6
71.05019	3.0
74.16541	1.4
79.01892	2.3
85.02950	3.3
85.06554	2.5
86.90041	1.1
95.05005	7.4
95.94642	1.4
97.02954	3.8
109.06602	3.2
111.04545	8.0
121.02956	3.0
123.08174	5.5
125.06100	6.3
125.09697	2.2
137.09726	2.1
139.04028	14.7
147.08182	1.5
149.02443	1.5
150.03183	2.5
163.07613	1.7
165.01860	2.4
165.09225	27.5
177.01978	3.9
177.09167	2.2
178.02698	5.5
179.07169	2.7
179.10786	24.8
181.08727	5.0
183.06667	5.1
191.03520	1.9
191.07155	3.5
192.07886	2.8
193.08690	5.7
195.06677	2.3
196.41014	1.3
197.08156	6.2
204.00671	2.2
205.01395	2.0
205.05037	2.2
205.08611	2.5
206.02205	5.7
209.08197	100.0
210.08517	3.7
215.03217	1.6
219.02994	6.0
219.06575	6.5
219.32399	1.5
220.07326	1.4
221.08200	7.9
223.09770	89.0
224.10188	3.3
230.05832	2.1
233.04616	2.2
239.09134	2.4
244.07272	1.8
247.06091	4.4
248.06892	76.6
249.07327	4.0
261.07553	2.8
262.08466	72.6
263.08835	4.0
263.12912	2.2
265.10757	2.7
277.14459	4.4
279.12375	12.9
291.09067	2.8
291.12393	78.7
292.12732	5.2
305.13943	82.4
306.14291	4.9
343.07568	1.5
427.13684	1.9
515.22357	8.3
515.37225	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14094	2.6
59.01374	7.5
61.98851	3.0
69.02690	8.8
69.03112	14.2
71.01362	2.7
73.02973	2.9
80.10696	3.0
87.54784	2.8
97.06579	3.8
97.80837	2.8
105.97470	2.5
109.06570	2.9
125.09661	5.2
136.03917	2.8
197.02240	5.5
199.06992	3.0
246.86414	2.8
317.21216	100.0
318.21564	6.5
329.77686	3.0
330.07236	2.8
398.79425	2.9
453.30151	8.8
471.31137	12.4
485.28995	7.1
515.30658	71.4
516.30011	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74357	0.2
57.03451	0.2
57.72380	0.2
63.06662	0.2
65.64186	0.2
66.68584	0.2
77.69699	0.2
82.52317	0.3
85.06615	0.4
87.04537	0.4
98.21758	0.7
99.08156	0.3
109.06581	1.7
111.04527	5.6
113.09712	1.4
119.86235	0.2
123.08167	1.8
124.01398	0.2
125.02396	0.2
125.06088	4.3
133.06532	0.3
135.04530	0.3
149.06114	0.4
151.07640	0.8
152.01100	0.5
153.05595	0.5
159.04497	0.2
163.07603	0.2
165.09200	1.1
167.07178	0.5
177.05576	0.5
178.99789	0.6
179.03511	0.3
179.10768	0.3
181.08710	9.9
182.09000	0.4
186.12076	0.3
186.17905	0.2
191.07091	0.3
193.01469	0.2
193.12302	0.4
195.06659	1.8
206.02199	0.5
209.08189	1.1
217.12228	0.4
221.04561	2.2
223.09741	0.7
233.11821	3.4
235.06139	1.6
235.13437	2.0
246.08801	0.3
247.09789	0.3
249.11223	0.4
261.11319	5.2
265.10800	3.5
279.12375	100.0
280.12708	4.6
291.16010	0.3
315.16183	0.5
333.17078	8.2
334.17426	0.6
515.26740	2.7
516.27167	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.302
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.3
59.01374	4.3
60.99302	1.4
61.98836	2.3
64.37958	1.0
69.03965	3.1
69.04370	7.3
71.01349	1.3
76.11604	1.0
97.06583	2.3
125.09707	2.9
134.37526	1.0
142.79930	1.2
211.76411	1.1
223.48921	1.1
315.19510	1.1
363.44583	1.3
377.28470	3.2
409.31235	7.9
427.32220	4.7
437.26773	1.2
450.61789	1.2
453.30051	5.8
460.93451	1.5
469.33331	12.1
470.33823	1.4
471.30695	40.6
472.31705	4.5
497.29764	2.4
515.30145	100.0
516.30347	11.7
526.74786	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3022
Annotation	Adynerin
Peak:m/z	Relative Intensity
57.03435	1.0
59.01371	3.7
61.98810	0.9
69.03445	0.9
69.07931	6.5
71.01337	0.9
71.04984	0.9
72.99313	1.6
73.63563	0.8
83.05033	1.6
83.44791	0.8
97.06582	1.5
111.07542	0.6
111.08160	5.8
117.31487	0.7
154.12071	0.8
173.08104	2.5
173.11766	1.2
196.49353	0.8
203.14534	1.2
205.15900	1.5
249.14928	0.9
321.22153	1.7
329.19336	0.8
331.24780	1.2
337.83139	0.9
375.26764	1.4
376.27658	2.9
377.28268	0.9
391.30008	1.6
407.29562	0.9
408.26602	3.4
409.31006	2.0
427.31927	3.0
436.25845	1.4
438.27597	3.0
453.30148	7.3
469.33020	3.6
471.30365	5.5
487.32874	6.5
497.28912	1.6
515.30017	100.0
516.30212	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	515.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.2
59.01383	5.8
69.03401	1.3
71.01360	3.1
71.05012	1.5
81.03439	0.9
81.91303	0.8
83.05018	1.6
87.00832	0.8
95.05013	0.9
97.06574	2.3
98.21830	2.5
99.04474	0.7
101.02451	0.8
103.80879	0.7
110.91264	0.9
111.04519	5.3
116.64352	0.8
121.06580	1.2
123.08120	0.9
125.09734	7.0
129.05579	1.5
139.07671	4.1
157.08676	1.1
165.05605	1.3
171.10219	1.4
173.11804	1.7
180.61911	0.8
181.08720	1.4
183.06592	2.2
187.09694	3.5
189.12889	1.0
195.06467	1.1
201.07660	2.2
201.11264	1.1
247.20529	1.0
265.21521	1.1
280.71661	0.8
309.20810	1.7
327.21674	1.9
331.24948	5.1
345.22595	2.9
393.27792	2.8
397.31006	0.9
409.31006	2.4
425.31271	1.2
427.32025	1.7
437.27011	5.8
453.30038	17.3
454.30179	1.6
457.22189	1.0
471.31290	9.6
497.29913	4.3
515.30542	100.0
516.30847	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3017
Annotation	Ceanothetric acid
Peak:m/z	Relative Intensity
57.03432	5.4
59.01384	15.4
61.98811	2.9
70.86472	3.7
71.01369	4.7
83.05030	3.1
91.62791	2.0
97.06580	6.1
111.08149	3.0
123.08162	3.3
125.09744	11.9
131.86264	2.1
157.08612	2.5
187.09717	7.0
201.11282	3.3
269.07928	2.0
284.16565	2.1
288.48694	2.7
345.22385	2.6
423.29266	3.4
427.31924	8.1
443.10977	2.3
453.29840	12.0
455.31412	2.7
471.24710	4.1
471.31009	80.4
472.31424	6.6
485.29587	4.5
497.30356	3.4
515.09509	6.9
515.30377	100.0
516.30859	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	515.323
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	4.3
59.01373	6.0
69.43804	3.4
71.05037	1.2
72.99319	0.8
78.10343	0.9
81.03460	1.0
83.05055	1.2
95.05042	1.5
97.06600	9.6
98.06942	0.8
98.21834	0.9
101.57388	0.8
107.43157	0.7
111.04536	1.1
111.08183	1.3
116.24300	0.7
123.08162	6.0
125.09732	52.8
126.10056	1.5
127.11308	1.5
155.10854	1.4
157.08713	1.4
161.09717	1.1
165.09360	0.8
169.08665	1.6
171.10262	1.2
173.11882	2.7
181.08717	2.4
187.09776	21.4
187.11395	1.5
199.13475	1.1
201.11375	3.1
209.08177	1.6
215.12878	2.6
231.14088	0.9
245.91577	0.8
251.09230	0.8
327.21786	5.5
331.24771	1.2
345.22864	11.9
427.32233	0.8
453.30350	1.9
471.30289	1.6
471.35352	2.7
497.30887	5.4
515.32263	100.0
516.32666	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	515.3384
Annotation	(+)-Methyl ganolucidate B
Peak:m/z	Relative Intensity
50.78225	0.7
56.46535	0.8
57.03453	1.5
59.01379	5.1
71.05033	7.7
73.02922	1.0
83.05042	2.5
87.04530	1.1
95.05042	1.1
97.02982	2.0
97.06599	3.8
98.22568	1.5
109.06573	1.0
111.04527	1.2
111.08169	3.3
113.06077	0.8
125.02457	1.1
125.09736	6.2
139.11244	0.8
141.09274	0.8
165.09180	1.3
173.08156	1.2
173.11913	2.4
181.08708	0.8
185.11832	2.7
187.09723	1.9
195.06616	1.0
201.11374	2.4
209.08206	3.1
237.07808	1.0
251.09341	4.3
262.75775	1.0
327.12152	1.4
329.19720	4.1
331.24905	1.8
357.22894	1.0
395.18781	1.2
405.27618	0.8
423.28946	0.9
427.36710	4.3
443.26398	1.4
453.34116	20.5
454.34210	2.2
471.35834	5.7
479.31827	2.9
497.20410	2.0
497.32791	33.1
498.32840	3.0
515.34290	100.0
516.34540	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05471	0.9
59.01387	3.4
59.29222	1.0
59.42109	1.0
61.98834	3.2
65.95201	1.1
69.75989	3.9
75.00893	1.7
78.95918	2.6
81.03448	1.1
82.22662	1.0
83.05040	3.7
97.06603	2.5
98.21838	1.6
111.08194	3.6
123.08188	1.2
125.09768	2.1
152.99623	3.1
173.08276	3.3
173.11736	1.1
192.71080	1.0
196.70862	1.0
199.77568	1.0
203.97128	1.2
213.35083	1.0
218.41315	1.0
223.20712	1.8
264.43988	1.2
267.19785	1.5
280.18732	1.0
285.20721	2.1
363.26978	2.0
379.30084	9.2
395.33206	9.7
423.29257	2.8
439.32022	5.7
441.33936	2.9
443.35367	1.8
469.33426	3.3
471.34973	23.6
472.35477	1.7
483.30713	1.5
515.33972	100.0
516.34399	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	515.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80978	0.4
56.99769	0.4
57.03453	0.6
68.09048	0.4
69.14066	3.1
75.13628	0.4
89.45101	0.4
98.22481	0.7
310.49411	0.5
355.26443	3.7
406.81613	0.4
407.25891	0.9
411.32587	0.5
423.29034	11.5
424.29468	1.2
439.32236	6.3
440.32327	0.6
479.46484	0.5
483.23013	0.6
483.30872	0.9
515.33801	100.0
516.34137	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	515.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	3.2
57.94778	0.6
59.01390	2.4
62.24506	0.5
64.19732	0.6
68.77416	0.6
69.00626	4.5
73.02953	0.7
75.00864	0.8
78.83715	0.6
85.02937	0.6
85.06602	0.8
87.04512	0.9
95.05074	1.0
109.06631	1.0
111.00974	0.6
111.04544	1.8
111.08195	2.8
125.09721	0.7
127.11282	1.5
137.09792	2.0
139.11302	35.8
140.11613	0.8
148.07881	0.6
157.12399	2.0
165.09300	1.9
181.08778	1.7
183.06731	0.7
183.10272	13.1
184.10739	0.7
201.11331	21.8
202.11783	1.0
209.08195	7.8
221.08501	1.2
225.07753	0.9
269.50897	0.7
313.23959	6.0
329.23428	1.0
331.24890	15.6
332.25574	1.1
413.34802	0.7
423.33084	1.1
457.33261	13.9
458.33710	1.7
469.33295	8.4
471.30899	1.3
497.20154	2.7
497.34750	3.1
515.35577	100.0
516.35828	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	515.3748
Annotation	3beta-Acetoxy-11alpha,13beta-dihydroxyolean-12-one
Peak:m/z	Relative Intensity
51.07266	0.1
52.17834	0.2
57.03453	2.5
58.25837	0.2
59.01387	1.0
61.98837	0.4
69.72278	0.2
78.95897	0.8
94.18017	0.2
98.22601	0.4
100.12110	0.2
112.34364	0.2
123.05045	0.1
128.98340	0.2
141.14485	0.2
152.99594	1.4
173.11797	0.2
185.82715	0.2
189.94142	0.2
195.06779	0.2
223.20667	0.2
233.43863	0.2
260.13049	0.2
395.33096	0.2
427.31995	0.3
433.23639	0.3
441.32468	0.3
453.33716	0.2
455.35419	3.1
456.35580	0.3
457.33594	0.3
481.33109	0.3
515.37439	100.0
516.37805	11.0
518.32379	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3751
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
51.57748	0.8
59.01371	2.4
61.98809	1.3
71.27956	0.9
75.00867	1.2
84.30209	0.8
100.97340	0.8
125.81136	0.8
330.41714	0.9
368.91956	0.8
469.37131	1.1
513.36090	1.4
515.37427	100.0
516.37958	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	516.099
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	8.4
58.87830	0.9
59.01369	1.1
60.56119	1.1
66.38300	1.1
69.03468	1.3
71.01380	1.7
71.67308	1.0
77.34996	0.9
79.95753	7.2
83.01362	1.4
95.01386	1.3
95.05014	1.3
96.96017	17.6
97.02953	2.0
98.22560	2.5
107.01392	3.2
109.02953	4.5
110.97630	1.1
121.02966	2.5
123.00903	3.2
123.04513	4.1
124.01669	1.3
125.02460	100.0
126.02790	5.2
133.02956	1.3
134.03723	1.1
135.04477	1.2
136.01678	3.4
137.02457	5.2
139.04039	3.2
145.98404	1.1
146.08231	1.3
149.02422	4.3
150.03270	9.3
150.87003	1.1
151.00266	1.2
151.04034	12.4
152.01311	1.1
152.04355	2.1
159.04472	1.3
161.02484	14.3
163.00386	2.6
164.01166	2.0
164.04727	1.5
165.01921	4.3
165.05582	9.9
166.05978	5.4
167.03546	5.3
169.01450	56.0
170.01758	2.6
175.03984	6.0
177.01930	6.4
179.07147	2.1
189.01846	1.5
193.01427	2.2
195.06616	5.3
196.07010	1.8
199.04005	2.3
205.92583	1.2
213.05576	1.2
217.05006	3.2
218.10365	1.1
219.02937	2.1
227.03404	1.2
229.19505	1.1
241.05060	3.9
242.05429	2.4
243.02988	6.9
245.04558	4.2
255.02975	2.6
256.07416	1.6
257.04468	1.3
257.07721	1.3
261.04202	2.0
269.04520	2.4
270.04813	1.2
271.09799	5.3
272.10098	5.9
285.04111	1.8
287.05673	7.0
289.07138	2.2
305.06674	4.1
404.99933	1.2
405.05789	1.8
423.07175	2.2
468.17685	1.6
516.12274	13.8
516.17596	1.4
517.13019	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	516.0996
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	5.1
59.35286	2.5
61.98828	9.1
69.31187	6.9
69.31596	7.6
71.01369	3.2
71.52321	2.1
86.55334	2.3
95.01437	3.1
96.88698	2.3
96.96028	11.1
98.22557	4.6
107.01417	6.4
109.02938	3.4
123.00889	14.7
123.04549	2.5
124.01669	16.6
125.02461	59.7
137.02411	3.4
139.00473	3.4
139.04028	6.9
151.00365	7.8
151.03955	5.2
167.03491	8.7
168.00661	3.1
169.01439	46.6
169.02847	4.4
177.01949	10.5
183.03009	5.9
255.03032	2.9
289.07193	4.5
293.36639	2.8
313.05637	9.6
453.10400	100.0
454.10916	7.3
516.12677	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	516.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02143	2.9
61.98829	9.3
68.02858	2.3
69.11874	20.1
82.59568	2.5
96.96022	6.3
107.01406	7.6
123.00874	9.9
124.01672	17.1
125.02459	32.7
139.00404	5.2
139.04031	3.7
142.86571	2.8
151.00386	4.3
166.37650	2.6
168.00661	7.3
169.01433	32.6
183.03009	4.6
313.05597	6.0
327.06955	3.9
356.49402	2.8
453.10449	100.0
454.10635	8.1
516.12366	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	516.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	5.9
59.01386	17.7
61.98837	26.1
69.03454	2.2
71.01410	2.2
73.02964	2.2
80.10157	1.8
85.06582	2.8
97.06570	9.5
98.06888	2.3
98.22522	5.7
99.92590	2.3
103.63431	2.2
109.31849	2.1
111.04496	2.6
111.08083	2.5
113.06008	2.5
113.09726	2.9
123.08139	6.2
125.02480	2.3
125.08844	2.6
125.09734	42.2
126.10049	10.1
127.10316	2.2
141.09239	3.5
153.09114	2.7
157.08675	6.9
171.10143	4.2
173.11823	3.3
181.05009	3.0
181.08653	4.8
183.06528	3.3
187.09763	18.4
188.10034	3.8
195.04958	2.6
195.06586	10.5
199.13327	2.9
216.13040	3.5
235.16844	2.6
269.04559	16.6
297.04059	45.2
298.04385	3.3
312.06461	30.2
327.05182	4.2
327.08777	62.2
328.09070	5.5
331.24887	3.2
345.23007	2.6
346.22940	3.4
368.30692	2.6
378.51642	2.2
409.31015	5.3
410.31607	2.4
426.30942	3.2
429.33963	4.9
431.31561	9.0
432.31772	7.4
434.29907	4.6
437.30771	3.0
454.30237	6.4
455.31610	4.9
471.34964	4.5
472.30887	4.4
472.35507	2.8
473.32388	7.3
498.30099	6.4
515.31915	15.2
516.30963	100.0
517.32367	85.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	4.4
59.01387	17.5
61.98830	5.1
71.01383	15.6
71.05033	2.5
71.27933	2.7
73.02960	6.1
83.01389	2.0
83.05038	1.9
85.02953	4.4
87.00886	2.4
89.02450	12.3
97.06606	2.2
99.00910	3.2
101.02454	10.2
103.00356	2.8
108.80685	1.4
110.17001	1.8
111.00834	2.2
113.02448	5.5
116.92846	2.1
119.03484	2.9
123.00991	2.1
125.02453	6.4
125.06161	1.7
139.48981	1.6
149.04572	3.9
165.09203	3.2
178.83928	1.9
193.08794	1.7
202.56606	1.7
209.08223	16.1
211.89473	1.7
238.52539	1.5
255.81377	1.6
295.06198	5.6
296.06918	32.7
311.09262	76.3
312.09512	5.2
325.71490	1.7
337.23911	3.5
337.73178	1.7
341.19705	11.5
349.67465	1.6
355.24921	7.9
401.23843	1.7
405.28091	2.5
427.32263	1.6
454.30173	2.6
455.31458	5.0
471.24588	1.8
471.31232	7.4
472.31027	3.4
473.23993	9.4
473.32718	42.0
499.30408	2.3
515.30341	3.0
516.30487	16.2
517.31213	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	516.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	14.5
61.98839	2.8
69.23955	17.2
70.38281	2.7
73.02950	3.0
85.91941	2.5
90.53091	2.3
110.45478	2.3
120.02682	2.6
125.09743	10.2
178.91750	2.7
185.07390	3.0
269.66309	2.8
324.38568	2.9
382.30212	3.1
400.71713	3.0
411.85440	2.8
428.32321	3.2
439.28525	11.4
455.31952	23.6
472.31317	4.7
473.32718	7.0
516.30493	22.0
517.31921	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	516.3698
Annotation	Unknow
Peak:m/z	Relative Intensity
69.66162	96.0
78.95917	85.9
80.64732	30.6
99.22263	23.9
100.95156	25.9
152.99597	100.0
224.13290	25.3
305.97433	30.6
434.24323	31.1
516.38116	71.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3695
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	66.7
67.37896	11.8
69.12677	34.5
69.13084	76.6
73.90594	13.6
85.02938	16.8
85.23075	14.3
111.04534	21.6
113.02398	17.4
121.74554	13.5
125.06109	17.7
138.49211	12.8
165.09204	27.3
165.99272	14.9
181.08690	45.7
183.06660	37.6
195.06682	19.9
197.08258	16.0
207.06694	17.6
209.08255	100.0
209.65587	13.1
210.08562	37.5
221.08229	21.9
223.09785	26.1
225.07762	23.7
233.08112	15.3
237.07602	32.7
239.09331	15.3
261.07748	22.8
281.07037	11.8
281.10211	54.6
418.49942	16.7
469.24228	14.2
491.90353	14.7
498.20282	25.2
516.30542	17.2
517.31244	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19213	8.0
59.01376	40.9
61.98846	14.1
70.54990	14.9
70.55323	9.7
72.41405	7.4
83.91988	7.7
129.50131	7.5
140.84747	8.0
140.89397	7.3
158.33574	8.2
161.66374	8.4
274.11417	8.6
301.20648	7.9
473.36633	100.0
488.32910	12.0
516.30560	35.4
517.32001	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	516.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01401	57.7
78.95918	70.3
83.10112	51.3
88.96341	55.2
121.63749	53.7
152.99539	100.0
155.04637	51.9
171.23409	50.2
182.57422	60.9
275.13681	62.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	10.6
61.98826	1.4
65.10715	0.4
69.12314	3.0
71.01388	3.8
71.05047	0.6
73.02937	1.4
83.01382	0.9
83.05021	0.5
85.02966	1.4
89.02444	2.9
97.02965	0.5
99.00917	0.5
101.02447	3.3
101.75756	0.4
103.04013	1.7
107.05039	19.3
108.02193	0.6
108.05342	0.7
109.02932	0.7
111.00875	0.5
113.02462	1.1
116.05101	0.5
116.92881	2.6
117.05375	0.5
119.03520	1.2
123.00910	1.3
123.04534	0.6
125.02450	3.3
133.75739	0.5
136.96402	0.4
137.02460	0.8
138.03136	0.5
139.04002	0.6
145.05040	0.7
149.06088	100.0
149.84430	0.5
150.06425	2.0
151.00381	0.4
151.04019	0.8
160.04051	14.6
161.04416	7.8
163.06114	1.5
164.04758	0.6
167.03500	1.3
169.01442	1.6
171.02075	0.5
223.09756	1.3
227.03470	0.4
277.07129	0.6
307.10339	1.6
317.06729	0.9
367.08676	0.7
473.16864	3.2
499.18546	0.5
517.11902	1.5
517.18707	4.3
518.26117	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.40014	5.4
61.98834	5.0
69.03458	7.0
71.01385	85.2
71.29650	7.0
72.99303	8.2
73.00182	5.7
73.02959	30.0
83.01400	9.4
85.02962	24.6
89.02451	58.0
97.02953	16.0
99.00935	8.5
101.02434	60.6
103.04018	43.6
105.39890	6.0
109.02963	13.5
113.02464	6.7
119.03512	22.8
125.02441	57.8
127.04005	6.4
135.04564	14.3
137.09714	14.3
145.05048	6.5
148.05313	61.0
149.04539	6.5
155.10811	18.9
163.06149	35.1
163.07654	23.4
169.01430	9.1
179.03470	18.0
188.08482	6.3
190.10092	30.2
199.09843	11.6
231.12567	5.4
243.06712	8.3
247.08232	12.6
266.12042	5.9
293.08862	12.9
307.10284	35.8
407.25589	6.8
473.12009	14.8
473.32922	54.7
517.22900	33.5
517.31677	65.2
518.31915	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57277	1.1
57.03435	1.8
59.01376	3.2
61.98825	2.0
67.31844	1.2
68.41661	1.2
68.99815	1.2
79.01908	1.5
83.70011	1.2
85.02950	8.4
85.06590	4.8
87.04504	4.6
95.01395	6.1
95.05019	6.9
97.03003	1.2
109.02924	2.4
109.06585	3.3
111.04524	31.6
111.08142	2.3
113.02467	9.7
113.06087	2.5
115.09141	1.2
123.04523	1.1
123.08155	5.1
137.06152	1.2
138.03247	3.0
139.03990	8.7
139.07616	3.4
147.08209	1.1
151.04057	1.2
151.07712	1.5
155.07143	2.8
163.07663	3.0
165.01973	1.5
165.05580	6.2
165.09221	25.0
166.06360	3.0
166.09537	1.9
167.07130	3.0
179.07121	4.7
181.04973	1.1
181.08720	5.5
183.05106	2.3
183.06641	33.9
184.06964	1.6
191.07133	1.9
193.05028	2.1
193.08656	3.6
195.06647	6.2
205.04979	1.5
207.06630	15.6
209.08208	84.2
210.08522	3.3
219.06516	1.4
221.08148	2.2
223.06082	2.0
223.09654	1.3
225.07697	100.0
226.08003	4.0
233.08286	1.8
248.06909	28.9
261.07693	11.5
262.08386	3.7
263.12918	3.8
265.10785	3.2
274.02469	1.2
275.09311	3.5
289.14249	2.6
290.11780	1.5
291.12418	32.2
292.12842	1.8
293.14035	5.7
297.07526	1.5
298.08557	1.6
299.09427	2.3
307.11893	38.1
308.12195	2.8
317.10297	3.3
325.07162	2.8
333.13370	3.9
343.15604	3.2
351.12363	1.7
361.16623	2.4
367.15439	1.6
368.12698	8.0
369.13422	11.1
370.14117	1.3
381.43091	1.4
387.14474	2.6
411.14517	50.6
412.14740	4.9
439.17728	6.7
455.21036	1.9
457.18665	3.4
481.18628	2.6
499.19763	25.3
500.19913	2.9
517.20758	24.0
518.21228	1.4
521.46765	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.6
57.03460	2.0
59.01384	3.3
61.98812	0.4
62.00085	0.3
66.58600	0.3
68.27218	0.4
70.24384	1.1
73.02963	0.4
79.01904	1.5
83.05025	0.9
85.02969	0.5
87.04516	0.4
95.05054	0.6
97.03011	0.4
97.06602	1.0
99.04552	0.4
103.00417	0.3
107.05029	0.6
109.02961	0.4
111.04544	3.5
113.06072	0.7
120.80086	0.4
121.06600	0.6
123.04534	0.4
123.08170	3.4
124.01680	1.2
125.02469	5.5
125.06069	0.7
125.09716	0.6
137.09680	0.4
137.68069	0.4
141.05602	1.1
148.42650	0.4
151.00354	1.8
151.03989	0.4
152.04781	1.1
162.99719	0.3
165.05499	0.4
177.05580	9.7
180.04308	1.5
181.08727	1.2
183.06570	0.8
184.03871	0.7
184.94949	0.4
191.10828	0.6
191.14256	0.5
193.08687	1.1
195.06638	100.0
196.07004	3.5
203.12772	0.5
209.08218	1.1
221.08223	0.5
224.06926	0.7
225.07703	0.8
233.08147	0.6
233.15524	0.4
235.09798	0.6
237.14934	0.6
248.10437	1.2
249.14864	0.5
253.10835	33.7
254.11116	1.5
263.12918	0.5
281.10242	1.2
313.23987	0.8
321.17065	0.6
331.24850	1.1
359.68375	0.4
361.20392	0.7
373.01874	0.4
455.24323	0.5
455.31561	0.7
457.29105	0.4
473.29138	0.7
499.30716	0.8
517.20490	0.8
517.23425	0.7
517.31256	9.0
517.37231	1.7
518.31848	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.8
59.01388	5.0
69.54781	1.8
69.55193	2.6
71.05019	1.2
72.99305	0.8
73.02932	0.7
75.00865	0.9
77.03960	1.2
77.70660	0.7
79.01920	1.1
83.05042	0.8
83.44911	0.8
85.02947	2.0
85.06605	1.4
95.01359	0.7
95.05026	1.3
97.03018	0.8
104.93787	0.8
109.02972	1.1
109.06616	2.1
111.04539	2.9
121.02959	2.4
123.08161	1.1
125.06081	1.7
135.04585	1.0
139.04073	0.8
149.02448	3.8
153.05563	0.9
161.02467	1.0
163.04039	3.1
165.09216	1.9
175.04012	0.8
177.05466	0.9
179.07173	1.7
179.10748	1.2
181.08707	1.8
183.06683	3.3
189.09190	1.1
191.03552	1.7
191.07237	1.0
193.08786	1.5
195.06621	7.4
197.08148	1.4
203.03548	1.2
207.06584	1.8
209.08212	4.8
210.08455	0.9
216.00555	1.0
217.05093	13.4
218.05838	26.0
218.07890	1.4
219.06546	2.9
223.09782	1.6
225.07719	8.2
231.06593	1.0
233.08199	86.3
234.08577	3.5
239.09300	2.3
243.06564	3.6
253.10880	1.7
258.01630	0.8
259.06055	1.6
261.07687	93.5
262.08032	4.2
273.07825	3.5
275.09390	0.9
291.08807	4.2
293.13788	0.9
317.14047	2.0
331.19131	1.3
361.12936	1.6
441.30389	0.9
455.31723	1.9
459.34940	0.9
473.32904	1.4
485.33087	1.1
489.32224	8.4
499.20419	1.6
517.24518	100.0
517.31799	17.1
518.24994	11.3
518.32172	2.3
538.31793	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	2.3
59.01383	6.3
61.39882	2.4
64.07946	2.2
69.03481	2.2
69.04072	16.7
69.04494	4.2
71.01396	3.0
71.05018	3.8
73.02975	2.1
83.05050	2.7
83.09428	2.6
97.06609	5.1
125.09726	4.0
126.37116	2.2
137.09706	2.3
164.90524	2.4
167.50293	2.2
173.08188	2.6
187.09860	2.8
197.02307	4.4
254.86096	2.1
317.21155	13.6
319.22784	65.3
320.23123	4.5
343.04800	3.2
403.20062	3.8
411.28796	3.4
455.32135	4.4
459.27704	3.2
473.33383	13.0
487.31134	3.5
517.26123	10.4
517.32117	100.0
518.32458	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	517.2656
Annotation	Terragine A
Peak:m/z	Relative Intensity
51.27689	0.7
57.03434	2.3
59.01382	65.8
66.94056	0.7
69.59113	3.3
71.01382	6.0
71.05015	1.1
73.02934	2.4
74.38963	0.6
83.01367	1.0
85.02943	2.6
87.00892	0.7
89.02442	1.7
95.05031	0.8
98.21742	0.9
99.00914	0.8
101.02459	4.8
113.02437	3.0
119.03455	0.9
125.02402	1.6
139.03989	2.5
139.11304	17.3
140.11635	1.0
161.04562	2.0
163.11293	1.0
165.09195	1.4
166.83469	0.7
179.10768	2.2
181.12361	6.7
183.08635	1.4
183.10272	23.8
208.93228	0.9
216.36765	0.7
223.09746	12.0
224.10501	0.7
225.11302	2.5
243.12383	2.2
244.12819	0.7
291.14444	1.1
294.70117	0.8
355.24808	0.9
373.25732	0.8
499.25714	6.5
517.26453	100.0
518.26648	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	517.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.8
59.01384	75.8
61.98821	1.2
62.41287	0.8
66.44466	0.9
69.07988	5.7
71.01396	7.7
73.02959	3.7
83.01409	1.3
85.02950	2.9
87.00858	0.9
89.02449	2.9
90.23930	0.7
95.01415	1.2
95.05023	1.5
98.21791	1.2
99.00884	1.0
101.02451	4.3
107.85944	0.7
113.02465	4.1
119.03496	1.5
125.02441	2.1
125.06123	1.1
137.02472	1.3
139.03996	2.7
139.11302	21.3
140.11609	1.0
161.04521	1.3
163.11314	1.2
165.09230	1.6
179.10779	2.4
181.12393	6.8
183.08644	1.5
183.10277	29.7
184.10597	1.2
199.13483	1.1
221.32283	0.9
223.09784	11.1
225.11362	3.6
243.12395	3.5
355.24896	0.9
458.44345	0.8
499.25546	9.3
500.25928	1.0
517.26544	100.0
518.26807	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	517.3176
Annotation	Jaligonic acid
Peak:m/z	Relative Intensity
59.01378	2.7
69.60346	1.0
69.60682	3.2
71.01386	2.5
71.44472	0.6
95.13844	0.6
98.22487	1.5
111.08189	0.7
125.09727	1.7
149.09778	1.0
187.09772	0.8
301.21780	1.0
337.24304	0.8
341.24500	1.0
377.28604	1.5
425.30734	2.5
439.28461	10.4
439.33798	1.1
455.31833	16.4
456.31949	1.1
473.32935	6.5
499.30951	3.7
517.31848	100.0
518.32147	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	517.3173
Annotation	Saponaceolide E
Peak:m/z	Relative Intensity
52.06446	0.7
59.01375	7.6
60.41573	0.6
61.98866	0.8
69.70164	3.2
98.60300	0.7
106.52496	0.7
106.97461	0.8
138.61909	0.7
140.11662	1.0
147.34492	0.7
150.06697	0.8
173.10127	0.8
189.12866	0.7
196.90302	0.7
211.44901	0.8
213.73589	0.8
310.69620	0.8
377.28516	5.7
378.28168	0.8
393.31714	5.8
394.31952	1.0
399.55853	0.8
411.32587	3.7
425.30765	1.1
429.33749	2.3
437.30719	1.3
439.28210	1.1
455.31787	5.0
473.33029	4.4
499.30386	1.0
517.31689	100.0
518.31946	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	517.3382
Annotation	Discarine H
Peak:m/z	Relative Intensity
51.23874	0.8
57.03438	2.3
59.01385	10.9
59.45732	0.7
61.98830	1.0
69.03461	0.8
70.42042	0.9
70.42348	1.8
71.01373	1.5
71.05012	1.7
72.99271	1.0
73.02947	1.9
78.61209	0.8
80.47052	0.9
83.05038	2.3
85.02946	1.1
86.48080	0.8
97.06586	6.4
99.04527	1.1
111.08144	1.2
114.81209	0.9
123.08154	2.8
123.30844	1.0
125.09736	35.4
126.10033	1.1
127.11238	1.3
143.10788	1.8
154.54211	0.8
169.08780	1.0
173.11824	1.5
187.09746	14.4
311.22205	0.9
329.23273	3.6
347.24335	6.4
349.04266	1.0
353.17758	0.9
411.32773	1.2
412.33170	1.0
425.30707	1.6
437.30792	1.1
439.28464	2.6
443.31729	1.9
453.30136	1.2
455.32117	5.4
471.30844	1.1
473.32950	11.8
499.31924	2.8
517.33344	100.0
518.33606	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	517.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
59.99485	3.5
61.98814	3.9
66.69460	3.6
68.71701	3.5
69.14485	31.5
78.95916	14.2
108.35203	4.1
129.67865	4.0
143.69606	3.7
152.99619	23.8
158.09477	4.4
159.95805	3.8
283.61993	4.4
498.15833	4.5
517.36658	5.9
518.32672	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	518.0945
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11040	0.3
56.83649	0.4
57.03454	0.7
59.01383	0.5
61.98835	100.0
71.01377	0.4
71.29084	0.3
74.44495	0.4
87.00851	0.4
123.04500	0.6
125.02444	9.9
126.02827	0.4
133.02956	0.5
136.54100	0.4
137.02461	0.7
161.02449	4.4
167.03543	1.0
177.01973	0.9
263.68024	0.4
287.05600	2.1
305.06805	0.6
312.99942	0.4
356.12558	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41710	1.9
59.01386	11.4
60.10156	1.9
61.98837	3.1
69.89956	8.0
71.01388	9.6
73.02960	3.4
85.02953	3.7
89.02451	4.0
98.22554	2.2
101.02481	4.7
113.02489	4.4
140.39746	1.9
255.02946	25.9
270.05508	4.4
283.02530	16.9
298.04837	87.8
298.98431	1.9
299.05408	8.6
313.07178	100.0
314.07553	6.6
411.66672	2.1
517.30682	5.6
518.31433	19.6
519.31995	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46390	3.5
59.01381	31.7
61.98817	4.7
68.90121	3.9
70.14906	9.7
71.01392	25.2
73.02950	8.1
83.39196	3.8
85.02962	7.7
89.02463	8.0
101.02465	12.1
109.02950	4.5
111.00871	4.4
111.08155	4.6
119.03609	3.9
122.85862	3.9
161.04544	4.2
172.85844	3.6
199.13371	6.0
282.05328	8.3
297.07782	19.5
302.00269	3.8
339.25146	7.6
341.26895	13.4
357.26563	8.4
518.32117	28.0
519.31940	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	518.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	19.3
61.05576	9.1
61.98820	28.2
70.03894	34.6
76.94849	9.2
85.02990	7.7
89.51199	7.8
97.06600	17.9
108.16936	9.1
111.74840	9.0
126.14914	9.3
143.07149	19.8
144.07510	12.6
220.35083	9.5
233.44084	10.1
322.48026	11.0
332.25391	16.6
346.67093	10.4
376.93115	10.3
423.35114	11.7
446.29065	10.0
518.33508	100.0
519.34027	44.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90797	4.2
61.98834	61.3
71.19776	6.4
72.82557	4.6
78.95905	68.1
87.84454	4.5
96.96950	9.0
115.67867	5.1
121.77357	4.9
127.90305	5.6
136.43402	4.8
152.99577	100.0
175.04019	5.8
211.72607	4.8
230.36829	5.1
237.97351	5.6
294.52493	5.2
314.43427	5.9
433.23737	21.0
518.21320	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	519.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	3.3
62.33670	1.0
62.67615	1.0
69.11478	2.7
69.11892	4.5
71.01382	4.3
75.00909	0.9
85.02964	2.0
89.02457	2.4
95.01376	1.4
101.02462	2.7
102.60032	1.1
109.02959	7.6
113.02433	2.3
115.00377	2.4
123.00812	1.4
125.02501	4.9
133.02902	1.1
135.04538	11.8
137.02429	3.1
143.05074	1.4
145.02989	2.2
147.04532	10.5
149.02498	6.0
151.04054	3.0
159.04518	12.3
161.02483	2.4
161.04584	1.6
169.01443	1.2
171.04494	1.4
173.02489	1.3
175.03984	2.3
177.05602	4.4
179.05655	0.9
179.10811	1.9
183.04538	1.4
189.05630	2.4
191.03523	2.1
197.06238	1.0
199.04051	1.4
201.01880	1.6
201.05801	1.0
203.03540	3.7
211.04138	1.3
213.05611	2.6
215.03490	3.2
223.07677	2.3
223.09766	4.5
225.05473	2.3
227.07179	2.6
235.07643	1.4
239.07152	1.6
241.05086	2.1
251.07204	2.1
253.05008	2.3
255.06612	1.5
263.07159	1.3
265.05063	3.7
266.06000	1.2
267.06619	9.1
277.05090	1.7
278.05615	1.2
279.06610	2.8
281.04626	1.4
281.08307	1.3
293.04626	3.1
293.07990	1.4
294.05475	1.6
295.06201	4.8
297.07712	16.0
298.07907	1.4
303.06512	1.0
307.06116	3.3
320.06311	1.0
321.07516	3.1
331.17459	1.9
332.07211	1.2
337.07095	1.3
339.08804	2.9
345.07639	1.2
349.07166	3.9
351.08826	5.1
363.08887	1.3
365.06750	1.9
373.07224	1.7
375.09036	1.2
391.08231	2.7
393.09653	1.6
403.16168	2.1
441.10672	1.5
459.10614	6.5
477.23425	4.8
501.11963	100.0
502.12329	11.4
519.12714	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.7
61.98839	2.6
71.28657	1.4
73.47048	1.0
79.05531	1.4
81.03458	1.4
89.02443	1.1
93.03454	1.2
95.01415	1.3
96.96019	5.6
109.02953	14.1
111.04475	1.2
114.45580	1.2
119.05068	1.5
123.00861	2.3
125.02447	5.6
132.99298	1.2
133.02994	2.8
135.04558	9.2
137.02460	3.8
139.04028	8.6
145.02992	2.5
146.03745	1.6
147.03360	2.6
147.04538	47.8
148.04808	1.1
149.02449	2.0
153.01967	2.3
159.04495	4.6
161.02414	3.7
165.01939	7.3
166.02731	6.3
167.03552	2.1
169.01381	3.0
171.04512	3.3
173.06108	1.2
174.03223	1.4
175.04121	1.9
177.01958	1.6
177.05571	2.8
179.03603	2.9
181.04982	1.4
187.03996	1.5
188.04716	1.5
189.05608	12.4
190.81714	1.2
193.10217	1.3
201.05560	2.0
211.09749	4.3
215.03513	4.2
217.04996	2.1
228.95833	1.2
231.06621	10.4
241.05080	2.3
243.06683	3.6
249.05721	2.1
254.05797	1.7
267.06656	8.2
269.08273	2.6
271.04626	1.7
277.05099	7.3
278.05975	3.5
291.06708	1.5
292.07431	1.7
293.08270	3.2
295.06149	3.4
299.99304	3.6
309.07730	1.6
311.09268	3.9
313.07114	5.1
313.10605	1.5
315.01556	6.0
317.08218	2.6
328.55466	1.2
335.09372	8.5
337.07336	1.9
340.05606	1.2
351.08765	3.4
353.10446	3.5
363.08575	1.4
379.08188	7.5
461.07791	2.3
483.18765	12.5
501.12021	1.5
519.13013	100.0
520.13354	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	519.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.8
58.00597	2.0
59.01382	51.6
69.16193	7.4
69.16621	4.4
71.01385	57.0
72.01730	1.4
72.99313	3.9
83.01404	3.2
84.75832	1.3
85.02952	6.6
86.59099	1.4
89.02450	40.5
95.01392	2.3
96.96037	1.8
99.04543	5.3
101.02447	20.1
109.02960	6.2
113.02463	15.7
115.00382	41.6
119.03506	19.9
123.04555	2.3
125.02472	7.8
131.03561	1.6
133.01442	25.1
135.04553	10.9
135.11812	4.5
137.02458	6.2
143.03523	5.4
147.04585	9.1
149.02473	4.9
149.04576	2.3
151.00380	1.4
151.04037	4.8
159.04576	9.0
161.02466	4.0
161.04591	5.2
161.09749	2.7
169.01379	2.8
171.04565	2.5
175.03984	1.7
177.05669	2.3
179.05611	20.5
179.10783	40.4
187.04005	2.6
191.03584	2.0
197.06055	2.7
199.07645	2.1
203.03595	4.1
215.03519	5.5
223.09760	100.0
224.10117	3.2
225.05721	3.4
227.07172	1.9
241.05055	1.7
243.03026	2.1
249.05591	2.3
265.05103	3.4
267.06650	10.1
271.02319	1.9
275.02109	1.6
279.06638	4.3
295.06152	3.7
295.75034	1.4
297.07755	11.1
300.02759	4.3
301.00046	3.2
301.48193	1.8
307.06128	3.3
321.07703	2.2
349.07224	2.3
351.08868	5.3
359.17249	3.3
365.06583	2.5
391.07864	1.6
403.16125	64.7
404.16565	2.9
447.09454	4.3
459.11176	5.3
475.09100	1.5
483.11179	2.6
501.11972	85.4
502.12518	8.7
519.18353	2.7
531.22711	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.7
59.01384	8.5
61.98818	1.1
63.96252	0.7
67.01888	1.2
69.03770	3.8
69.04174	1.2
70.59997	0.6
71.01384	6.5
71.05022	0.8
72.99305	0.9
73.02942	3.8
73.98300	0.5
74.99059	0.5
83.01388	1.8
84.42703	0.5
85.02962	2.8
87.00889	0.6
89.02449	2.9
93.03452	1.3
95.01382	3.2
99.00864	0.7
101.02439	4.0
108.02184	19.9
109.02986	8.3
111.00892	6.8
113.02438	2.3
116.76881	0.6
119.03495	1.1
120.99681	0.8
121.02924	0.7
123.00905	15.2
123.04545	13.7
124.01685	10.3
125.02460	1.1
134.03682	0.8
135.04544	0.7
135.98375	2.3
136.01741	0.7
137.02470	2.3
139.00359	1.3
139.11334	0.8
149.06046	1.0
157.12341	0.6
161.04579	0.7
163.04012	1.4
165.05577	1.0
167.03535	0.7
173.06117	1.0
174.06876	5.2
175.03932	0.8
175.07495	1.0
177.05554	2.3
183.10188	0.6
185.11806	1.4
189.09229	4.5
190.06326	1.2
191.07172	7.4
193.05060	0.7
205.08675	1.3
217.04887	0.7
218.05878	1.8
219.06615	0.7
233.08234	4.3
243.16039	3.9
272.99475	0.6
312.06329	1.0
322.86060	0.6
327.08765	3.4
341.10495	0.9
342.11087	9.4
343.12070	0.8
357.13449	100.0
357.26276	4.9
358.13837	9.2
371.24448	13.6
371.29019	0.4
399.14606	1.1
501.32364	5.9
519.19568	4.7
519.27759	2.5
519.32751	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	519.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80334	0.4
59.01382	5.1
59.68179	0.4
61.98827	0.5
68.99579	2.4
69.00001	1.8
71.01395	3.0
73.02950	2.0
78.10043	0.4
78.27950	0.4
80.24064	0.4
81.03440	0.4
83.01391	0.9
85.02959	3.1
89.02454	1.4
91.29714	0.5
98.21708	0.8
98.30605	0.4
98.66393	0.4
99.00938	0.4
101.02452	1.9
107.05028	4.8
108.02201	0.8
109.02951	1.1
109.06565	0.4
113.02456	1.3
118.00718	0.4
119.03502	0.7
120.99673	0.5
121.02964	1.7
123.00928	0.4
123.04517	1.7
125.02425	0.5
133.02965	0.9
133.06670	0.5
134.02878	0.5
134.03766	5.3
135.04556	3.4
136.05296	0.7
137.06078	0.6
145.02985	0.7
147.04541	1.3
147.08165	3.9
151.04053	0.4
151.07605	0.8
153.05641	0.4
161.02449	1.2
161.04755	0.6
161.06090	2.5
162.03424	0.4
162.06815	0.5
173.06119	0.5
175.07568	0.5
179.03522	0.5
183.10255	0.5
191.03508	0.4
191.62411	0.4
193.08772	0.8
195.06635	4.0
220.07468	0.4
223.07787	0.5
233.08183	1.3
237.09286	0.8
239.07170	0.5
240.07858	1.5
251.07092	0.9
252.08017	0.7
253.05098	0.8
254.05779	0.9
255.10304	4.3
258.99588	0.4
265.08679	2.2
267.06580	1.7
267.10196	0.4
268.07437	4.5
269.08179	1.7
270.12643	1.7
281.08435	0.5
282.08994	1.1
283.09760	8.1
284.10336	0.7
285.11478	0.7
285.14981	2.0
297.11252	2.1
298.12161	2.1
310.08469	0.7
311.12781	1.0
313.14420	6.6
314.14523	0.6
323.07758	1.3
325.10886	2.2
327.08746	0.6
341.10239	1.0
342.11084	12.6
343.11459	1.1
357.13440	100.0
357.26309	1.6
358.13721	7.4
375.13980	0.4
375.27570	0.8
377.03931	0.5
519.19043	7.7
519.32599	8.8
520.19409	0.8
520.31262	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	7.7
58.00598	1.5
59.01384	21.0
61.98834	1.2
69.03465	1.6
69.79533	1.6
69.79921	1.7
71.01385	11.7
71.05028	1.3
72.99322	1.9
73.02952	6.9
75.00878	1.1
79.05539	5.4
81.03476	4.7
83.01392	6.5
85.02950	4.6
85.06597	8.4
87.00900	1.0
87.04523	1.1
87.12118	0.8
89.02448	5.4
93.03480	1.7
95.01400	1.5
97.06599	0.8
97.93541	0.7
98.22441	1.6
99.00897	1.7
99.04518	10.4
101.02434	7.2
105.03499	0.9
109.06562	1.0
111.04524	13.2
111.10348	0.8
113.02473	3.6
119.03508	1.4
119.05093	1.1
123.04540	52.0
124.04874	1.4
125.02456	4.5
125.09768	1.4
127.07668	18.7
127.08553	1.2
128.08078	0.9
134.44598	0.8
135.04532	14.3
135.05493	1.2
137.02478	3.0
139.11308	3.5
149.02576	1.4
149.04619	1.8
149.09749	4.3
153.05580	1.2
163.04047	2.8
163.07703	0.9
163.11314	13.0
164.04834	2.3
169.08766	2.1
177.05664	2.3
178.06398	2.2
179.07199	2.2
181.08754	1.2
185.11839	1.1
193.08714	17.5
193.10352	1.3
196.86244	0.9
205.08693	10.4
207.10280	74.9
208.10687	3.3
209.08240	1.1
211.09775	42.2
212.10243	1.0
219.10269	30.4
220.10780	1.6
223.09816	1.0
243.96214	0.8
255.56068	0.8
261.11319	4.6
281.17731	0.8
296.07013	3.0
309.24130	0.8
311.09299	6.9
319.15491	20.5
319.18976	1.5
320.15729	1.2
339.25488	6.4
341.19754	1.3
347.18631	12.5
357.13626	1.8
357.26541	11.0
357.30911	1.5
367.12238	1.0
413.19604	4.3
413.31467	1.7
427.32544	1.9
457.18677	14.5
457.34143	5.6
471.31381	1.8
473.24429	1.9
473.32568	1.2
474.33478	1.5
475.20044	3.0
475.33694	3.8
501.31464	3.2
518.31866	3.7
519.18591	3.9
519.32190	100.0
520.32520	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	519.1878
Annotation	(-)-Pinoresinol glucoside
Peak:m/z	Relative Intensity
55.01872	1.4
59.01361	2.1
61.98800	0.7
68.98812	5.5
71.01359	1.8
72.99304	0.7
82.95425	9.6
83.01393	47.9
85.02952	0.8
93.03448	2.8
98.22577	0.9
111.00853	0.7
121.02965	6.0
122.03751	10.9
123.00900	3.5
123.04566	4.2
124.01678	0.9
125.02438	4.4
129.69019	0.7
135.04558	0.9
136.01697	0.9
136.05286	2.7
137.02434	4.6
137.06097	8.7
139.00311	1.4
147.04541	4.7
151.00395	1.5
151.04068	0.8
159.04408	1.0
161.02348	0.9
161.06094	2.3
162.06851	1.5
168.00697	1.3
168.04236	0.8
169.01462	4.5
186.42200	0.9
192.99722	0.6
206.05814	0.7
209.08192	2.5
211.02457	3.4
221.08185	3.1
225.11305	1.4
271.04611	4.3
289.07031	0.9
298.12103	0.8
310.86099	0.7
323.09238	1.3
342.11050	4.3
357.13464	100.0
358.13861	6.7
367.08170	1.4
519.11853	1.3
519.18872	14.3
519.33325	27.9
520.19257	0.9
520.33588	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	3.2
58.00576	2.4
59.01096	1.9
59.01380	36.7
61.98838	3.5
62.95688	1.5
67.90908	1.2
69.03447	1.9
69.07831	3.3
69.08243	8.6
70.03679	1.5
70.73952	1.6
71.01384	19.1
72.99310	2.0
73.02951	26.3
83.01382	3.7
85.02936	6.2
85.72507	1.3
87.00878	2.1
87.04505	3.1
89.02454	5.6
93.03438	1.7
97.06621	1.4
101.02456	9.4
103.03979	6.9
107.01403	2.6
108.02176	43.5
111.00864	2.4
111.33186	1.4
113.02470	3.7
119.03486	2.8
123.00883	1.7
123.04523	24.8
125.02480	7.9
131.03516	23.8
133.06583	1.4
134.03732	2.0
137.02454	2.9
139.11288	25.8
140.89799	1.2
145.06573	4.1
150.03168	1.7
161.04807	1.8
161.06094	39.0
162.06458	1.7
163.11337	2.1
169.01462	9.5
169.12387	2.5
179.07202	1.3
179.10820	1.9
181.12299	9.0
183.10260	33.8
184.10678	1.4
187.03972	1.3
189.05588	24.5
191.05550	1.4
193.08688	7.7
199.13380	1.7
205.05032	12.1
207.06586	1.4
225.11317	18.1
232.03706	3.6
233.04562	56.3
234.04909	3.8
243.12424	5.3
256.42245	1.3
267.12570	1.6
281.06662	4.9
313.10806	3.9
327.14636	1.5
357.09793	46.7
358.10117	3.3
395.09579	4.1
457.86316	1.8
459.18793	6.6
501.19931	6.7
519.14557	32.3
519.20844	100.0
519.32489	4.5
520.15796	2.3
520.21210	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	519.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	3.1
58.00596	1.8
58.76279	1.4
59.01387	32.0
61.98851	2.2
69.03451	1.5
71.01389	17.6
71.28561	2.1
71.59097	1.2
73.02953	24.4
74.20993	1.1
75.16465	1.2
76.93044	1.2
77.36425	1.2
83.01407	2.9
85.02958	7.1
87.00899	3.9
87.04589	1.7
87.87747	1.4
89.02464	5.6
91.52242	1.2
93.03480	2.8
101.02451	7.2
103.04033	6.5
108.02184	39.4
111.00907	3.8
113.02478	4.6
123.04541	25.0
125.02470	10.5
131.03508	19.4
137.02501	3.7
139.03947	1.5
139.11314	25.2
145.06654	5.0
153.95558	1.6
161.02525	2.0
161.04768	2.1
161.06085	28.7
162.06525	1.5
163.11337	2.1
165.09337	2.2
169.01451	6.9
169.12375	2.5
174.03198	2.1
179.10817	2.2
181.12364	10.7
183.10278	37.4
183.11835	2.5
188.04866	1.6
189.05583	20.7
189.07147	2.1
190.02728	2.1
191.05638	2.5
193.08685	6.5
199.13472	1.7
205.05032	13.2
206.05823	2.0
225.11302	16.2
232.03830	2.6
233.04561	54.9
234.04665	1.6
243.12346	7.0
281.06778	3.8
285.13498	1.4
313.10901	2.7
348.87732	1.5
357.05362	2.0
357.09793	41.9
358.10156	2.4
395.10025	3.0
459.19086	7.5
459.24756	1.9
475.16309	2.0
477.23605	1.6
501.20218	5.9
519.14703	21.8
519.21222	100.0
519.32727	3.0
520.15216	3.5
520.21533	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	519.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36768	0.5
52.63511	0.4
55.01854	0.7
56.45325	0.5
57.03447	2.6
58.00595	0.7
59.01383	10.5
61.98812	1.1
71.01385	8.4
71.05005	0.9
71.80959	0.5
72.18733	0.4
72.99300	0.5
73.02950	3.0
81.03448	0.6
82.35070	0.5
83.01378	1.8
85.02509	0.6
85.02959	4.0
85.71658	0.5
89.02445	2.8
93.03456	4.6
95.01401	1.0
97.06573	0.9
99.04521	1.9
99.08192	1.1
101.02452	5.0
108.02184	1.2
108.09966	0.5
113.02461	2.7
119.03523	0.7
123.00871	0.5
123.04542	5.3
125.02469	1.1
125.06097	1.3
125.09729	0.7
135.04553	1.7
137.02449	10.1
140.65680	0.5
141.09230	2.4
149.02521	0.6
149.09756	1.4
152.01163	1.3
153.01915	0.5
164.04739	0.8
178.06277	0.5
185.11879	3.1
193.08701	12.2
205.08643	2.6
207.10257	0.9
215.12827	0.7
219.10294	0.6
225.11301	4.3
281.06711	1.0
285.20840	0.5
305.13919	2.5
309.24329	0.9
311.26044	0.7
315.07275	0.5
321.24454	0.6
323.25992	0.6
327.25455	8.8
328.25467	0.5
339.25409	7.7
341.26993	4.3
347.18671	1.0
352.28027	0.5
355.24915	0.7
357.26483	19.4
358.26962	1.3
375.27512	0.8
419.27728	0.5
427.28024	0.5
457.33212	1.0
460.77145	0.5
485.33093	1.0
489.31174	0.8
501.30554	1.1
519.31940	100.0
520.32233	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	519.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.9
57.03446	1.0
58.00599	1.1
59.01383	22.1
60.95358	0.7
68.98350	0.9
68.98746	6.7
71.01389	9.6
71.67862	0.8
72.99298	0.8
73.02937	1.5
83.01381	1.0
85.02956	4.7
89.02434	4.8
95.01389	0.9
97.69954	0.7
97.72523	0.6
99.00877	1.0
101.02449	5.0
103.83601	0.7
108.02192	1.2
109.02939	1.2
111.00924	0.9
113.02441	2.9
113.93998	0.7
119.03487	1.4
125.02424	1.3
148.05357	1.1
157.12366	1.4
169.01431	1.1
169.12404	1.7
185.11916	1.5
215.12810	3.4
253.15540	0.8
281.04553	1.0
282.05356	13.6
285.20700	1.5
297.07700	25.7
298.08127	2.1
323.25919	2.4
339.25476	7.4
341.27008	25.7
342.27252	1.9
357.26456	10.7
367.12201	1.3
413.52420	0.9
459.12845	1.3
519.15631	2.5
519.31805	100.0
520.32172	9.5
548.09161	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3176
Annotation	Antibiotic BU 2867TA
Peak:m/z	Relative Intensity
55.01873	1.2
57.03448	1.3
58.00581	0.9
59.01380	21.9
69.14207	1.0
69.14621	3.0
71.01380	12.9
71.05017	1.8
72.99316	1.0
73.02943	1.5
77.16100	0.5
77.25916	0.4
79.05539	0.6
83.01379	2.2
85.02953	3.4
87.00899	0.9
89.02444	7.1
89.72945	0.4
90.13952	0.5
95.01385	1.1
97.06602	1.0
99.04580	1.0
99.08156	0.7
101.02443	6.7
109.02951	0.6
113.02435	3.4
119.03523	2.3
123.04525	5.3
125.02530	0.7
125.06069	1.6
135.04530	1.9
137.24168	0.5
139.11284	0.7
141.09236	1.8
149.09726	1.2
163.04042	1.3
167.03455	0.7
178.06319	0.6
179.07190	0.7
185.11778	1.2
193.08705	7.5
199.13477	1.0
205.08739	3.8
207.10306	1.1
219.10228	0.6
225.11382	5.0
247.09702	0.6
265.18060	0.5
267.19604	0.7
269.21188	0.9
285.20758	9.5
295.44809	0.6
305.13882	2.3
313.07156	0.9
325.15039	0.6
339.25412	11.6
340.25815	0.6
341.06439	0.8
347.18713	1.8
356.08963	0.8
357.26459	12.3
419.77863	0.6
457.18637	1.3
475.34039	1.3
501.31027	1.5
519.31836	100.0
520.32172	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	519.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03181	0.4
57.03453	5.6
59.01385	4.0
61.98827	0.5
69.03420	0.4
71.01398	2.9
73.02942	1.6
83.01379	0.8
85.02959	1.1
89.02439	1.1
93.03442	0.6
101.02457	2.2
103.04001	0.6
108.02154	1.4
109.02969	1.4
113.02487	0.8
123.00903	1.2
123.04519	0.8
125.02457	3.2
135.04547	0.7
137.02509	0.5
139.00320	0.4
139.03976	0.4
140.59961	0.3
151.00359	0.7
152.01158	1.0
153.01953	0.8
153.05518	0.4
161.04620	0.7
163.06140	0.9
163.11360	0.4
167.10817	2.2
168.11139	1.7
169.01437	3.2
212.04756	0.4
280.03616	0.4
313.16568	1.0
331.06726	0.6
342.07480	1.2
357.09750	1.8
371.29623	0.7
373.31250	1.2
399.29410	0.6
417.30154	6.1
445.33200	0.6
457.33746	0.8
459.22400	4.0
475.34296	39.1
476.34698	3.2
483.10870	1.2
489.32321	0.5
498.71902	0.4
519.19092	4.6
519.33337	100.0
520.20465	0.4
520.33698	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	519.3331
Annotation	Linoleic Acid-biotin
Peak:m/z	Relative Intensity
57.03456	3.9
59.01388	8.4
61.98824	1.1
65.90873	0.7
68.46117	0.8
71.01390	1.4
81.03500	0.7
83.05029	0.7
85.02973	1.0
87.45667	0.7
96.58474	0.8
109.02956	0.9
113.02596	0.8
117.02625	0.7
125.02468	1.1
135.04572	1.4
147.04597	1.3
147.08186	0.9
163.04063	2.5
165.67047	0.6
167.03545	1.6
175.04100	0.8
196.46541	0.8
201.29489	0.7
217.01506	0.8
247.39091	0.7
268.24066	0.8
327.08521	0.8
342.11310	1.3
351.08951	1.2
357.13467	6.8
381.10056	0.8
385.27817	0.9
411.10275	0.8
411.14972	0.9
417.30154	4.0
426.13559	0.7
441.15643	1.6
457.33447	1.7
461.29172	2.1
475.34616	9.6
501.16266	1.0
519.33508	100.0
520.33813	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	519.3332
Annotation	Alisol P
Peak:m/z	Relative Intensity
57.03448	3.4
59.01387	0.6
60.99302	0.9
61.98841	0.5
69.03893	3.5
71.01388	0.5
71.55066	0.4
73.02949	0.4
81.71645	0.4
83.05032	0.7
118.83700	0.4
159.04443	0.4
189.92400	0.4
191.32016	0.4
243.06570	2.6
308.95383	0.4
325.21884	0.5
355.30017	0.5
369.28036	0.5
381.27866	0.5
399.29269	2.2
417.30301	2.1
457.33313	4.0
458.33658	0.5
461.29077	0.7
473.32394	0.6
475.34430	5.2
501.32269	1.6
519.33350	100.0
520.33649	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	519.3332
Annotation	Gamboukokoensein A
Peak:m/z	Relative Intensity
52.10786	0.7
56.96561	0.6
57.03455	9.9
59.01385	16.7
60.99305	1.0
61.98837	20.4
63.89112	0.7
69.03459	3.4
71.01413	1.5
71.05025	2.8
71.28414	0.8
72.02200	0.7
72.99308	1.3
73.02946	5.0
75.00885	6.4
76.38949	0.7
83.05030	1.0
85.02943	2.3
87.04527	3.8
97.06595	0.9
99.00902	2.4
107.01559	0.6
111.04568	1.4
113.02496	1.0
124.17627	0.7
125.09711	1.0
135.04573	0.7
137.09778	1.0
148.56491	0.7
179.07166	1.7
183.06758	1.1
187.09746	0.7
189.12814	1.1
191.14468	2.8
193.15990	0.6
207.64880	0.7
209.08205	0.9
211.06172	1.7
221.08221	0.8
225.07709	2.4
235.13458	1.2
237.14964	4.4
239.09367	0.9
257.70221	0.7
259.34137	0.7
293.17657	2.1
341.24841	1.0
341.28952	1.0
383.29697	2.9
385.31125	1.4
393.31787	2.3
395.29657	2.0
397.31274	2.0
399.28430	1.1
399.32962	2.5
401.29965	1.4
401.34381	2.2
409.31372	0.8
411.28732	1.4
413.29849	4.0
413.34705	2.7
421.31113	1.1
425.30728	3.7
427.32278	7.1
429.29807	1.0
439.32571	3.3
441.30231	2.5
443.31564	4.9
445.33377	11.3
446.33875	0.9
455.32047	0.9
457.33542	12.5
458.33670	1.8
471.31558	1.3
473.33099	2.8
475.34427	5.4
476.34305	0.9
485.33157	2.0
489.32300	18.4
490.32755	1.5
501.32248	10.6
502.32367	1.3
519.33466	100.0
520.12665	1.6
520.33868	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3331
Annotation	Inokosterone 20,22-acetonide
Peak:m/z	Relative Intensity
51.00050	1.0
52.13710	0.8
58.96493	0.9
59.01383	35.8
63.65594	0.9
65.36346	0.9
70.31979	2.4
71.01389	4.7
71.05001	1.5
85.02947	1.1
87.04594	0.9
90.86372	0.8
98.21931	1.3
111.54237	1.1
113.61674	0.9
151.98538	0.9
165.12825	1.0
181.08801	1.2
191.14441	6.1
193.15987	15.7
195.17651	1.1
197.08104	0.9
203.14473	1.7
205.15945	6.5
207.13872	1.0
221.15480	4.7
223.17126	2.3
225.07628	1.8
249.14941	2.3
251.16714	0.9
267.16013	34.3
268.16428	2.3
357.24484	1.4
413.30408	1.5
429.34003	1.0
441.30255	1.0
457.33334	2.8
462.30136	1.6
471.31357	1.2
473.32861	10.1
474.33124	1.5
501.26126	1.0
501.32419	6.6
519.33411	100.0
520.33899	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	519.3328
Annotation	Alisol P
Peak:m/z	Relative Intensity
55.70635	0.5
57.03450	0.6
59.01383	100.0
60.01719	0.8
61.98827	1.1
69.03461	1.2
69.74088	1.9
75.53312	0.4
78.95914	1.3
87.04541	0.9
95.01407	0.9
97.06624	0.5
108.00939	0.6
111.04551	1.3
111.19830	0.5
112.93404	0.4
115.26510	0.4
136.26666	0.6
151.04004	3.5
152.99623	1.8
157.01494	0.6
179.07230	1.5
181.08719	2.8
183.06679	1.7
189.12822	0.5
193.08807	0.8
195.06790	0.8
197.08250	1.3
207.06714	1.3
209.08185	1.0
217.05115	0.6
221.08255	0.7
225.07751	4.5
234.08543	1.2
235.08907	0.6
237.15112	1.0
239.09314	1.7
249.01317	0.6
249.11359	0.7
251.13029	0.9
261.07785	0.6
262.08011	1.2
263.08530	0.7
277.10916	0.6
283.08362	1.0
303.70224	0.6
413.34805	0.8
457.33298	0.7
462.30057	0.7
473.33075	1.7
475.34912	0.7
501.31421	1.0
519.25641	1.0
519.33496	15.4
520.33673	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3328
Annotation	Alisol P
Peak:m/z	Relative Intensity
57.03455	5.6
59.01384	6.9
68.50565	1.3
69.34338	7.5
71.01398	2.4
71.05024	1.8
73.02941	12.2
80.81963	1.3
87.04557	1.8
101.35888	1.2
104.08022	1.3
154.83162	1.3
179.07173	1.8
183.06577	1.8
261.33975	1.8
284.06995	1.7
299.09479	1.7
314.06058	1.6
381.28098	3.1
389.28760	1.8
392.27484	3.3
404.26694	1.5
407.29462	10.8
413.30951	2.4
439.32468	2.4
441.30267	6.2
455.27829	1.6
457.33456	13.2
469.30463	2.2
475.34866	6.5
485.32730	93.6
486.33167	7.2
501.32468	6.4
519.33588	100.0
520.33813	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	519.3331
Annotation	Gamboukokoensein A
Peak:m/z	Relative Intensity
57.03442	3.1
58.57046	1.0
59.01387	4.9
60.99292	1.7
61.98862	0.9
64.77225	0.9
69.58611	3.3
71.01397	1.2
73.02937	8.7
79.11497	0.9
84.23986	0.8
85.02956	2.4
87.04534	1.5
95.05064	1.0
98.21785	1.0
99.04517	1.0
101.85600	0.9
108.03141	0.9
109.06616	1.1
156.33205	0.9
160.66675	0.9
172.31822	0.9
181.08775	1.1
183.06610	1.7
194.29297	0.8
207.06860	0.9
221.11867	2.9
263.16629	2.4
267.19653	1.5
341.24948	1.7
363.23224	6.1
364.23737	1.2
365.24844	8.4
367.26349	13.8
381.28064	2.4
383.29575	33.9
383.34528	1.8
384.30124	3.8
385.27652	3.1
399.10730	1.3
399.29166	1.0
401.30798	1.7
407.29495	1.8
409.31412	2.1
411.33051	1.1
425.26678	1.7
427.28400	13.6
428.29077	1.4
431.28262	3.7
441.34265	1.1
445.29599	1.6
457.33646	7.1
471.31213	13.1
473.32571	3.0
475.34308	7.1
485.32919	6.8
486.33127	1.4
501.28836	4.8
501.32303	3.2
519.33368	100.0
520.33942	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	519.3333
Annotation	Alisol P
Peak:m/z	Relative Intensity
57.03181	0.4
57.03453	5.6
59.01385	4.0
61.98827	0.5
69.03420	0.4
71.01398	2.9
73.02942	1.6
83.01379	0.8
85.02959	1.1
89.02439	1.1
93.03442	0.6
101.02457	2.2
103.04001	0.6
108.02154	1.4
109.02969	1.4
113.02487	0.8
123.00903	1.2
123.04519	0.8
125.02457	3.2
135.04547	0.7
137.02509	0.5
139.00320	0.4
139.03976	0.4
140.59961	0.3
151.00359	0.7
152.01158	1.0
153.01953	0.8
153.05518	0.4
161.04620	0.7
163.06140	0.9
163.11360	0.4
167.10817	2.2
168.11139	1.7
169.01437	3.2
212.04756	0.4
280.03616	0.4
313.16568	1.0
331.06726	0.6
342.07480	1.2
357.09750	1.8
371.29623	0.7
373.31250	1.2
399.29410	0.6
417.30154	6.1
445.33200	0.6
457.33746	0.8
459.22400	4.0
475.34296	39.1
476.34698	3.2
483.10870	1.2
489.32321	0.5
498.71902	0.4
519.19092	4.6
519.33337	100.0
520.20465	0.4
520.33698	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	519.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39170	1.6
57.03447	2.6
59.01367	5.0
60.95324	1.4
61.98811	2.4
71.01364	1.8
73.02927	1.7
83.04991	2.2
96.95971	1.8
98.62338	1.5
125.02416	1.6
180.30855	1.4
271.49426	1.7
339.76590	1.9
415.28568	2.9
445.66718	1.7
475.34872	2.6
501.32095	5.2
519.33600	100.0
520.33978	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	519.3342
Annotation	20-Hydroxyecdysone-20,22-monoacetonide
Peak:m/z	Relative Intensity
57.03461	2.1
59.01384	5.9
61.98834	1.7
69.03460	0.7
69.27724	0.7
71.01392	4.9
71.05034	1.0
73.02952	7.2
74.74928	0.7
78.96775	0.7
83.01385	0.9
85.02980	2.1
89.02467	1.6
90.53737	0.8
98.21817	2.0
101.02469	3.3
106.59931	0.7
111.08184	1.0
113.02457	2.3
114.61859	0.7
123.04608	1.8
125.02474	1.2
125.06135	1.2
125.09773	1.0
135.04567	1.2
137.09802	0.9
141.09344	0.9
143.03496	0.9
143.88103	0.7
149.09746	1.1
151.39049	0.8
193.08730	5.3
195.06680	1.6
198.54172	0.8
205.08740	1.5
219.10406	1.0
225.11409	2.5
265.34030	0.6
305.14108	1.5
339.25638	2.3
347.18817	0.9
357.26660	4.9
367.12421	0.8
375.27634	0.9
427.28473	6.5
473.33087	0.9
475.34973	3.5
501.32355	3.2
519.33344	100.0
520.33783	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	519.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78648	0.2
57.03443	0.3
59.01382	100.0
69.02380	0.2
69.17335	1.9
72.25201	0.2
73.02971	0.3
88.93568	0.2
106.73106	0.3
111.04520	0.3
125.09827	0.3
151.03874	0.3
179.07249	0.3
183.06729	0.8
189.12877	0.6
209.08340	0.2
225.07713	0.3
241.07231	0.5
248.47798	0.3
271.09946	0.3
340.06656	0.3
418.30960	0.3
431.27844	0.5
471.32358	0.3
475.20111	0.4
475.34500	0.4
501.19379	0.3
501.32791	0.6
519.18927	1.1
519.33948	7.2
520.33679	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.0737
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67213	0.5
57.03445	1.4
59.01375	0.8
61.98829	2.4
63.95505	0.5
69.03448	1.1
70.98537	0.6
83.01414	0.9
85.71503	0.5
89.02448	0.9
95.01422	0.8
96.13807	0.5
97.02980	0.8
101.02488	0.8
102.97026	0.5
109.02956	1.5
121.02956	0.9
123.00909	0.7
124.01616	0.6
125.02458	55.0
126.02828	0.7
137.02455	1.6
139.04015	0.7
149.02380	0.6
161.02457	4.0
165.01949	1.7
167.03532	1.4
169.01439	100.0
170.01747	2.4
193.01472	1.6
205.01567	0.6
219.06752	0.6
243.07022	0.5
269.04504	0.8
287.05618	1.4
300.99783	0.6
305.06747	4.4
331.04529	0.8
344.12692	1.8
359.14957	4.7
457.07791	5.6
520.21210	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12396	8.7
59.01135	8.1
59.01383	100.0
61.98828	26.1
69.23597	48.3
71.01395	48.7
73.02937	10.2
85.02954	20.7
87.00889	10.8
89.02467	48.5
92.04033	6.8
95.27814	7.5
101.02398	33.9
109.02953	19.2
113.02435	23.2
119.03496	24.5
123.04552	16.3
125.02483	15.6
137.02425	8.1
147.04488	12.4
149.39832	7.7
151.03963	8.6
161.02522	9.7
163.99463	6.5
168.00595	8.2
189.05560	37.3
193.08754	20.0
222.04202	7.5
242.70836	7.1
254.27498	6.9
271.04568	9.4
275.53116	6.4
282.07321	8.3
315.12424	17.5
341.13861	46.9
350.58923	6.7
357.73395	7.6
359.14990	22.1
359.28027	9.3
373.26093	8.7
375.32736	7.6
392.59818	8.5
449.51184	8.7
520.18341	7.4
521.20801	34.0
521.32935	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.9
59.01386	25.1
59.23849	1.8
61.98822	3.9
71.01390	36.8
73.02951	14.5
83.01402	10.2
85.02958	16.3
87.00897	3.7
89.02444	6.2
95.01387	3.3
97.02953	2.5
99.00884	5.0
101.02448	28.5
103.04014	2.1
109.02956	3.6
113.02468	13.5
119.03497	2.8
120.99644	1.7
125.02477	4.7
131.03458	2.9
151.04007	3.2
153.01898	2.4
156.14082	1.6
159.03003	3.5
161.02461	3.0
161.04582	13.2
163.06097	3.1
169.01495	3.1
182.94096	2.1
187.28448	1.7
240.39053	2.0
289.07574	1.9
331.17624	27.0
361.90659	1.9
477.23465	100.0
478.23569	9.1
520.19690	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	520.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	4.8
57.03437	4.7
59.01383	78.7
61.98812	6.7
71.01388	74.9
73.02950	19.3
83.01381	8.3
85.02963	33.0
87.00880	10.9
89.02461	25.1
93.03468	8.3
95.01389	9.1
96.96008	3.0
97.02935	5.4
97.21944	3.9
99.00876	12.9
101.02443	54.1
102.28120	3.8
108.02195	3.8
111.00882	7.7
113.02471	36.1
114.02776	3.6
119.03510	9.7
123.00894	8.6
125.02425	12.5
134.03799	5.1
135.04570	23.5
137.02438	11.4
143.03462	4.3
149.02452	6.4
149.06046	4.1
159.02968	9.8
161.04562	32.4
163.04016	4.4
164.04776	13.2
169.01465	9.2
179.03503	19.5
179.05673	7.6
179.07164	10.6
179.42703	3.6
181.05072	4.3
188.04808	3.6
195.10188	3.1
195.63745	3.2
211.02495	12.2
227.12975	5.7
236.85703	3.4
271.04623	18.2
311.09280	4.1
315.18161	20.4
325.10849	10.9
326.11612	7.9
341.13940	45.5
359.11288	28.4
359.14966	7.2
477.23383	100.0
478.23648	8.3
503.19293	5.7
520.32996	6.7
521.20557	5.6
521.26141	18.3
521.33441	8.9
539.86481	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	520.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70244	0.7
59.01381	8.7
60.01725	0.9
61.98837	100.0
64.02828	0.7
67.74581	0.7
71.28150	1.0
80.51841	0.7
85.02927	0.7
116.00682	0.7
123.00927	0.9
132.66588	0.8
139.04048	0.9
161.02502	1.0
191.14487	1.8
192.14893	1.3
212.24219	1.0
225.07870	1.6
237.15004	2.1
238.15314	1.4
265.10974	0.9
312.66190	0.8
420.33667	0.9
458.33960	1.5
476.34872	0.9
477.36624	1.0
486.33075	1.1
502.32813	1.2
503.20529	1.5
520.34015	25.5
521.21948	1.1
521.34125	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	520.3407
Annotation	CHEBI:131658
Peak:m/z	Relative Intensity
58.85611	1.7
60.36277	1.5
61.98826	4.0
117.20654	1.8
455.35352	22.6
494.42160	2.4
520.34113	100.0
521.34650	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	521.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.1
58.15295	0.9
59.01385	5.4
61.98833	15.7
69.05315	3.7
69.05736	2.2
71.01392	4.0
73.02939	0.9
83.01361	0.8
83.73554	0.8
85.02936	2.2
92.23843	0.8
95.01378	1.3
98.35542	0.8
98.70915	0.7
101.02429	2.3
101.98373	0.8
107.01403	1.2
108.02168	1.5
109.02951	1.5
111.00851	0.9
113.02433	1.2
117.42831	0.7
121.02966	2.3
123.00932	1.3
125.02479	5.8
126.14919	0.9
128.56087	0.9
132.02162	1.3
134.03777	1.5
135.04440	1.2
137.02422	1.9
139.00429	0.9
151.00346	1.0
153.01964	4.1
160.01645	4.4
160.04474	0.8
162.03207	1.7
165.05521	0.8
166.06313	1.1
168.04330	0.9
169.01442	7.2
175.00397	1.9
175.04031	2.0
176.01144	1.3
177.01947	0.9
177.05533	1.1
178.02678	1.1
179.07182	1.5
182.97276	0.8
188.01112	1.5
193.05042	3.5
200.01128	1.7
202.36916	0.9
211.02531	1.8
214.99834	0.8
216.00658	3.3
217.38986	0.9
228.00580	1.1
228.97778	2.9
241.04889	1.1
244.00140	7.8
256.00137	1.2
256.97217	4.1
258.01596	1.0
263.63025	0.9
270.98874	4.3
271.99628	1.9
284.96811	17.0
285.97491	3.6
286.01263	3.7
286.98239	1.6
298.01352	1.0
298.98456	1.6
299.99139	20.9
300.02469	1.5
300.99567	0.9
301.03366	1.2
312.96259	25.6
313.96924	2.6
314.00754	2.2
315.01587	1.1
327.98615	52.9
328.99298	10.1
329.03073	8.0
329.99747	0.9
331.06635	1.8
337.09338	1.1
343.00958	86.8
344.01227	4.3
344.05399	5.7
358.03226	6.3
359.03824	1.4
359.07794	14.3
359.27982	1.6
448.02859	2.3
485.12375	3.5
491.04678	30.2
492.04895	1.5
506.07013	21.0
507.06885	1.8
520.33551	1.1
521.09399	100.0
521.16687	3.5
521.33398	7.6
522.09558	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	521.101
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	2.7
59.01387	14.8
61.98816	7.4
63.31713	2.7
66.42145	2.3
71.01374	11.1
71.29821	3.6
73.02953	3.7
85.02961	4.8
89.02451	7.1
93.03455	2.6
96.96072	3.5
101.02441	5.6
104.63412	2.4
109.02961	26.1
111.00785	2.7
121.02941	4.1
123.00866	5.5
123.04537	2.6
125.02446	8.0
131.74554	2.5
133.02913	2.3
135.04498	8.5
137.02415	8.1
146.03725	11.3
146.95245	2.4
151.04057	3.9
153.01874	7.0
159.04477	3.5
161.02432	2.4
161.04614	2.2
161.06033	6.6
164.04741	5.0
168.00633	2.3
169.01439	6.5
171.69170	2.4
179.03487	3.3
179.05779	2.8
179.07126	18.1
201.02161	2.3
211.02393	2.6
213.05525	3.0
227.03473	2.3
229.05035	5.4
241.04994	12.9
243.06487	3.9
253.05048	5.9
258.01657	7.0
265.05112	5.2
271.04535	4.3
286.01187	7.4
301.03415	15.9
305.08157	5.0
329.03003	9.1
331.30319	3.0
344.05307	9.1
357.07568	7.1
359.07700	32.0
359.11322	3.4
359.28125	5.1
375.08783	20.0
376.08923	2.9
461.23730	3.1
485.12421	100.0
486.12598	13.7
520.33435	5.0
521.19562	6.0
521.33643	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	521.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.2
57.03447	1.8
57.83865	0.6
59.01384	9.6
60.61307	0.5
61.57872	0.7
61.98828	0.5
64.11872	0.5
68.99845	0.6
69.14227	3.3
71.01385	14.4
72.99289	1.0
73.02952	3.5
79.01891	0.8
79.26838	0.6
81.03447	0.6
83.01406	2.7
85.02962	5.5
86.79309	0.6
87.00895	1.5
89.02455	3.7
95.01381	2.1
97.02958	1.7
98.22573	1.2
99.00873	2.1
101.02454	7.3
107.01406	7.7
108.02203	0.7
109.02947	1.8
111.00890	1.9
113.02473	4.1
117.03409	0.9
119.03507	1.4
119.90350	0.5
121.02896	0.9
123.00903	6.3
123.04534	1.3
124.01700	1.0
125.02458	54.7
126.02740	0.8
129.02011	0.8
131.03535	0.6
133.05080	0.6
134.03751	0.9
135.04544	0.9
136.01653	1.8
137.02463	2.9
138.03214	0.7
139.00398	2.0
139.04025	0.7
139.11374	1.0
140.01137	1.2
141.01968	1.0
145.02977	2.0
148.05357	0.6
149.02414	1.0
150.54713	0.5
151.00377	4.1
151.04015	3.8
153.01955	0.5
154.10497	0.5
159.02960	1.3
160.05222	0.6
161.02461	1.8
161.04597	2.8
161.05865	0.7
163.07671	4.3
165.01945	1.1
165.05473	0.7
167.03435	1.4
168.00566	0.9
169.01436	70.7
170.01794	1.9
179.03468	1.9
179.07114	0.8
183.10258	1.2
191.03491	1.4
192.04263	0.7
193.37801	0.6
195.02957	0.9
195.06747	0.9
205.05095	1.8
206.05829	1.5
207.06641	30.0
208.06914	0.9
211.02434	1.6
213.07748	0.7
241.03600	4.2
243.12419	1.3
255.05061	0.7
268.07315	1.0
271.06119	2.6
282.09064	0.9
289.07141	1.9
297.11353	3.4
313.05695	18.2
314.05930	1.0
329.13995	1.5
341.10376	1.0
359.11337	1.7
359.15146	1.5
359.20749	6.1
369.11890	12.8
453.72763	0.6
503.22034	0.7
521.13019	100.0
521.25848	12.7
522.13391	9.5
522.26019	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51881	1.7
57.03455	3.1
59.01385	15.7
71.01373	7.6
73.02952	2.5
84.01644	1.6
85.02959	3.6
89.02454	4.9
100.86993	1.6
101.02467	4.6
105.03458	4.0
105.31046	1.5
109.02974	18.1
113.02482	2.6
115.05546	1.9
116.32269	1.6
121.02968	4.8
123.04541	10.1
125.02453	2.5
134.03737	1.7
135.04536	22.0
139.04030	1.9
145.02988	5.0
146.03708	2.8
147.04541	98.8
148.04846	2.5
149.02512	7.9
150.03262	19.5
151.04053	9.0
153.09227	4.5
159.04533	24.4
161.02470	6.6
163.04066	2.2
165.01949	1.9
169.01428	1.7
171.04539	4.9
173.02469	4.1
175.04027	7.8
177.05580	31.9
189.05591	27.1
191.03560	4.0
197.06177	3.8
197.08124	2.7
199.07617	3.5
211.07655	2.4
212.04747	1.6
213.05540	3.3
215.03526	14.8
217.05003	3.6
222.91109	1.7
223.07784	2.0
225.05557	5.4
229.05064	3.0
229.35191	1.6
231.06688	12.9
239.07198	2.3
241.05174	2.9
243.06566	7.9
249.05597	4.5
253.05150	2.1
266.05988	3.0
267.06656	72.3
268.06909	3.7
269.08191	3.7
279.06448	2.6
281.08206	10.6
291.06952	2.0
295.05963	3.6
297.07748	11.8
297.10760	2.2
309.07739	3.5
310.08420	1.9
311.09262	9.6
313.10944	2.0
325.10867	5.9
344.12744	6.2
351.08771	100.0
352.09213	3.7
353.10413	5.6
359.15152	13.0
369.09726	6.2
379.08200	3.7
397.09317	2.1
419.11362	3.4
433.28983	1.8
443.11227	3.2
485.12640	5.3
503.13507	73.8
504.13766	5.2
510.85022	1.7
521.13287	8.9
521.21216	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.8
57.03443	5.7
58.00603	3.4
59.01385	82.6
61.98829	8.6
63.04064	1.5
65.66584	1.7
69.03473	2.1
71.01386	68.4
72.09338	1.7
72.99303	6.8
73.02956	15.3
81.03468	4.5
81.48285	1.7
83.01408	5.9
85.02956	31.4
87.00897	4.6
87.04517	3.3
89.02450	36.5
90.39455	1.6
92.40895	1.7
93.03454	4.4
95.01398	11.6
95.05039	1.7
97.02965	2.3
99.00893	7.3
101.02452	43.1
108.02182	100.0
109.02957	64.9
111.00935	1.7
113.02454	27.8
113.03178	2.4
119.03513	17.8
121.02982	7.4
121.10271	1.9
123.00906	5.3
123.04578	5.3
125.02470	8.4
131.03500	2.6
133.02954	2.1
135.04541	4.7
135.19287	1.7
135.98366	2.0
137.02444	22.6
139.04053	7.3
143.03517	3.3
148.05354	4.0
149.04897	1.6
149.06116	11.6
151.04045	3.6
152.01163	91.1
153.01956	36.8
153.05649	3.2
158.08669	1.9
159.03044	2.5
161.02466	3.9
161.04562	13.6
162.04828	1.7
163.04039	3.8
163.07710	3.8
164.04845	3.0
165.09235	4.1
167.03520	5.1
169.01457	6.6
175.04005	2.6
177.05656	3.2
179.03537	6.1
179.05637	7.3
179.07086	1.9
179.10796	4.9
191.07207	1.9
201.15015	3.8
207.10301	3.6
209.08145	9.7
209.11876	1.6
209.30492	1.6
211.13350	1.9
221.04657	2.2
243.19888	2.4
273.07986	2.3
289.20148	1.7
299.25833	1.6
315.07370	6.1
341.14139	2.6
341.26898	2.4
358.26898	2.3
359.15182	15.3
359.28070	32.5
360.28430	2.5
372.72412	2.0
461.24008	4.8
477.17700	69.2
478.17975	4.1
503.16333	2.6
520.33594	3.1
521.16504	72.8
521.26178	3.5
521.33472	89.7
522.17273	5.5
522.34241	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	521.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95029	0.7
59.01386	12.0
61.98826	3.0
69.03476	1.1
71.01390	8.7
71.32520	0.9
73.02973	1.9
76.79720	0.8
83.01400	1.5
85.02962	3.6
87.00888	1.0
89.02455	5.0
93.03510	1.6
97.02956	1.5
99.00907	0.8
101.02457	3.7
107.01452	1.0
109.02950	1.5
112.98608	1.0
113.02489	2.6
115.00346	1.0
115.92078	6.9
119.03535	0.8
119.04999	1.1
121.02966	5.3
125.02470	5.9
132.01237	1.8
132.02191	23.7
133.02950	3.3
134.03758	16.6
135.04538	1.9
137.02473	4.6
137.99637	2.1
149.06100	3.7
151.04037	2.5
153.01953	30.8
159.04593	1.0
160.01675	92.2
161.02119	3.2
161.04588	1.3
165.05556	4.2
168.04303	19.1
169.01421	2.4
174.01750	1.4
175.04016	100.0
176.04413	3.5
177.01973	1.2
179.03500	1.6
180.86098	0.8
183.06645	5.2
191.07198	1.1
193.05057	13.3
194.05418	1.0
200.67439	0.9
211.02487	1.0
217.05135	1.6
233.06628	0.9
245.15382	0.8
293.08850	1.4
298.20065	0.8
315.18201	2.3
337.09326	37.0
338.09567	1.9
359.07721	2.4
359.27969	0.9
444.90961	0.8
461.24039	6.5
485.12393	2.6
521.16058	28.1
521.34125	4.5
522.17255	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	521.167
Annotation	3,15-Di-O-acetylbruceolide
Peak:m/z	Relative Intensity
55.01880	1.0
59.01374	6.1
61.98841	6.8
69.09943	7.1
71.01387	10.0
73.02948	2.4
77.54073	1.1
81.03440	3.5
83.01376	1.7
85.02953	8.2
87.00862	1.0
87.04515	1.2
89.02457	2.1
93.03445	2.4
95.01409	5.6
97.02958	1.4
98.22537	2.1
99.00914	1.5
101.02435	3.8
102.48156	1.0
108.02187	100.0
109.02970	70.0
110.03300	1.1
113.02459	3.1
121.02946	4.3
123.00880	4.5
123.04543	2.2
125.02431	3.4
131.03487	1.1
134.03731	1.2
135.11823	1.3
137.02426	2.0
151.04030	2.6
152.01167	85.1
153.01959	38.8
161.09686	1.4
163.04042	1.0
164.04779	2.8
164.15273	1.1
165.01967	1.6
169.01434	2.3
177.01909	4.5
179.07091	1.4
179.10757	2.5
196.61676	1.0
211.02415	2.1
223.06139	1.1
229.50079	0.9
271.04575	3.1
293.08777	1.7
315.07339	5.6
353.65314	1.0
359.15021	3.5
461.24030	1.1
477.17694	66.1
478.18182	6.0
483.10693	1.8
485.11331	1.3
503.15613	5.4
520.33344	2.9
521.16510	65.6
521.34290	9.4
522.16522	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.167
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.9
59.01380	100.0
61.98835	5.5
71.01380	26.4
72.99289	3.4
73.02940	8.7
83.05022	1.7
85.02966	8.4
87.00859	2.7
89.02444	11.6
93.03464	3.2
95.01398	4.4
95.05025	3.8
99.00868	3.7
99.04518	2.5
101.02448	18.2
104.61055	2.1
107.01402	4.6
107.05061	2.6
108.02175	69.0
109.02957	15.7
109.06629	2.3
113.02438	10.3
119.03528	4.3
121.03060	2.7
123.00888	6.4
123.04530	80.9
124.01708	3.7
125.02459	14.2
133.02991	4.7
134.03780	3.1
135.04543	22.9
137.02478	5.6
138.90285	1.8
139.04007	3.4
139.11380	1.9
140.01131	4.3
147.08148	18.7
148.05313	3.0
149.02490	5.7
149.06113	4.6
151.00423	2.1
151.04036	5.4
152.01181	2.3
153.05591	34.7
161.02458	3.5
161.04575	7.8
161.05986	2.6
163.07632	12.2
164.04819	7.1
165.01955	2.2
167.03596	2.0
168.00702	6.9
169.01416	20.7
175.00461	5.9
176.04861	5.3
177.01938	2.1
177.05638	6.0
179.03465	12.9
179.07199	2.6
181.12381	3.5
189.05583	15.3
190.02713	15.1
190.05675	1.6
191.07147	66.9
192.07567	4.4
193.08739	3.1
205.05090	18.4
209.07954	2.2
209.11887	7.8
211.02507	32.6
219.06821	2.3
221.04587	4.0
221.08212	2.0
223.06242	3.1
225.15050	5.4
227.12910	26.7
235.06133	54.5
236.06685	1.8
249.07819	5.0
251.05905	3.6
251.11421	4.7
271.04562	55.2
281.06567	4.4
284.03290	16.9
293.12573	2.1
299.05600	21.7
331.06873	8.3
341.14099	4.3
347.24631	2.6
359.11313	94.7
359.15170	14.3
359.20776	3.8
360.11877	7.6
367.10376	23.7
368.10760	2.0
397.11484	4.4
401.12796	3.9
431.13754	3.5
457.60004	2.3
461.14807	4.8
503.25110	11.5
521.18103	18.3
521.26404	65.8
521.31952	2.9
522.26764	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	521.203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	2.7
61.98837	0.9
65.04014	0.4
65.62392	0.4
66.70126	0.4
70.47234	1.1
71.01380	1.8
73.02959	1.2
75.00913	0.4
82.95419	0.8
85.02959	0.8
89.02473	0.5
101.02464	1.2
109.03002	0.7
121.02927	1.0
123.00911	0.5
123.04507	0.4
125.02509	0.5
135.04532	9.6
135.39581	0.4
136.01660	1.4
137.02432	1.2
148.05313	1.4
149.02452	3.9
149.05972	0.4
150.03229	1.8
151.04015	1.4
163.04027	29.8
163.07693	1.0
163.77379	0.4
164.04807	100.0
165.05327	4.6
169.01273	0.5
174.24994	0.4
175.07687	1.3
177.05608	1.4
178.06363	13.3
179.07150	82.8
180.07474	2.6
192.22932	0.4
300.13721	0.7
316.31607	0.5
341.13995	1.0
359.15018	57.6
359.27631	2.8
360.15289	4.3
459.31342	0.6
503.30557	0.9
521.20135	1.9
521.33356	11.3
522.33496	0.8
531.21698	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	14.6
61.98820	5.7
64.44331	2.2
71.01382	5.6
71.05004	2.5
73.02935	3.9
85.02946	3.1
95.01388	9.7
98.21813	6.2
101.02440	2.6
108.02165	7.9
109.02942	3.4
111.04490	2.4
113.09755	3.6
123.04531	3.9
125.02498	3.8
135.04510	2.2
139.00386	3.8
139.04031	3.2
151.07617	3.9
152.00998	2.5
154.02734	9.7
159.47734	2.4
164.04718	3.1
165.05544	5.0
165.09224	7.2
169.01413	4.1
183.06645	2.7
193.08702	6.2
209.08211	20.1
211.07753	3.6
225.05594	6.0
225.09175	5.3
226.06395	3.3
226.09981	5.3
227.10735	8.5
233.08127	5.7
238.06287	3.4
240.11600	3.1
244.07343	2.6
253.08745	31.2
267.10294	14.1
268.11035	100.0
269.11404	7.0
283.13409	65.0
284.13910	6.0
285.11340	6.1
299.12875	7.6
300.13617	10.0
312.09961	3.0
315.12738	3.4
315.16028	17.0
327.12311	3.2
359.15018	36.2
503.30304	4.6
521.18042	4.1
521.31519	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	521.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.4
59.01385	9.8
64.87465	0.5
69.14462	3.1
71.01384	6.4
72.99311	0.5
73.02952	0.5
85.02953	1.1
87.00858	0.5
89.02448	6.4
95.01389	0.7
101.02460	4.5
108.02211	0.8
113.02431	2.1
119.03510	2.5
123.04549	1.2
125.02467	0.5
135.04532	6.3
137.02472	2.4
137.06100	1.3
146.03714	0.6
147.04507	1.0
148.05321	11.2
150.03249	9.8
151.03822	0.5
151.34923	0.4
161.02452	0.4
161.04596	0.6
162.03230	1.0
163.04024	16.4
163.07678	3.2
164.04808	100.0
165.05579	28.7
165.07071	0.5
167.78517	0.4
169.01527	0.8
177.05562	1.6
178.06380	6.0
179.07152	92.2
180.07491	2.8
246.50243	0.4
265.66461	0.4
271.04568	0.6
305.78949	0.4
326.11929	0.7
327.11237	0.4
341.13980	17.1
342.14218	1.0
359.14957	1.9
364.13431	0.7
406.96222	0.5
440.14072	2.1
480.53638	0.4
521.20544	2.3
521.30157	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	521.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55430	0.4
57.04161	0.4
59.01380	3.5
65.00314	0.6
67.01881	0.8
69.04670	3.0
69.05083	0.9
71.01387	2.3
72.12754	0.4
72.99316	0.6
73.02949	0.5
78.49663	0.4
79.01903	0.9
83.01398	1.2
85.02949	1.1
87.00887	0.5
89.02447	1.5
95.01401	2.2
96.96036	1.6
97.02930	0.5
98.21807	0.8
101.02450	1.3
107.01397	4.1
110.00078	0.7
111.00882	2.3
111.39737	0.4
113.02464	1.3
113.48817	0.5
119.95283	0.4
123.00899	10.6
124.01665	1.4
125.02456	19.0
127.00372	1.0
130.93829	0.5
135.04543	1.1
136.98819	1.3
137.02472	0.6
139.00389	4.0
139.04056	0.5
140.00264	0.4
140.01204	3.2
141.01970	0.9
143.23503	0.4
151.00386	6.1
161.02365	0.5
168.00670	5.2
169.01439	30.1
170.01704	0.5
177.04053	0.6
179.03508	1.5
211.02484	20.9
212.02867	0.7
241.03596	0.8
271.04608	23.8
272.05029	1.2
288.69736	0.4
310.64368	0.4
313.05457	0.9
331.06683	0.8
359.14273	1.1
439.10654	0.7
503.19022	0.9
521.20294	100.0
522.20569	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	521.203
Annotation	Unknow
Peak:m/z	Relative Intensity
58.92017	0.4
59.01376	2.9
59.87418	0.4
71.01379	2.2
72.99314	0.6
73.02909	0.5
85.02972	0.9
89.02468	0.7
95.01386	1.2
101.02440	0.8
107.01402	3.2
111.00879	1.7
113.02410	0.4
121.06571	0.4
123.00911	4.1
124.01656	2.6
125.02461	18.9
126.24186	0.4
127.00408	0.7
136.98796	0.8
137.09720	1.7
139.00426	2.6
139.04037	0.6
140.01187	3.1
149.61108	0.4
151.00354	2.0
165.01932	0.9
167.03485	1.0
168.00658	11.3
169.01443	32.4
170.01778	0.6
183.02991	0.6
211.02495	49.4
212.02896	2.0
219.01366	0.5
241.03609	2.1
244.49715	0.4
271.04614	100.0
272.04990	3.8
331.06738	16.4
332.07162	0.7
339.55219	0.5
504.02374	0.6
521.20337	13.8
522.20435	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.5
56.20773	1.4
57.03451	2.3
59.01383	27.6
60.15917	1.2
71.01386	20.5
72.99296	2.0
73.02951	4.6
79.14302	1.2
80.91771	1.4
83.01390	4.3
85.02974	8.8
86.00092	1.5
87.00902	4.5
89.02451	7.2
95.01419	1.8
96.96057	1.9
98.21703	2.1
99.00921	2.2
99.27141	1.3
101.02449	13.7
107.01325	1.3
108.02203	2.1
109.02966	17.6
111.00896	3.3
113.02465	6.7
119.03514	1.8
121.02962	5.8
123.00853	1.6
123.04510	1.3
125.02489	3.7
134.03735	1.9
135.04520	19.2
137.02458	3.1
145.02980	1.4
147.04581	2.4
149.04564	1.3
151.03978	1.9
152.01190	3.6
153.01952	23.9
159.04561	2.1
161.02473	2.0
169.01485	2.6
179.03513	21.3
195.02945	10.0
239.07092	2.2
255.04866	6.1
267.06656	3.1
268.07422	5.2
269.08347	3.4
270.09018	2.2
271.04684	1.8
273.05167	1.8
280.07556	2.6
281.08279	9.9
282.08942	6.1
283.09750	7.6
293.08307	4.5
295.09888	3.7
296.10431	2.1
299.09280	5.0
300.10114	2.2
311.09283	4.2
312.10010	1.7
314.08047	3.3
314.11639	6.8
315.12271	3.2
326.11536	14.1
327.12402	11.2
329.13901	12.3
340.09891	1.4
341.09781	1.9
341.13818	15.5
343.11938	2.7
355.11905	5.9
359.11282	8.2
369.13364	2.2
385.15079	3.0
419.49176	1.4
445.15036	1.8
447.09766	1.5
461.14499	1.4
473.14667	5.1
476.16803	7.5
488.16882	11.2
491.19281	95.9
492.19470	8.5
503.19272	100.0
504.19586	7.4
521.20410	58.7
522.20764	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	521.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23849	1.7
55.01884	2.6
56.41645	1.7
57.64790	1.7
58.00589	3.4
59.01382	100.0
61.00333	1.6
61.98816	2.1
63.94790	1.8
69.60394	6.8
69.60816	3.1
71.01385	54.0
72.98913	1.9
72.99318	5.7
73.02939	7.7
83.01391	5.0
85.02956	14.5
85.71120	1.7
87.00883	4.5
89.02452	47.4
92.65802	1.6
93.03448	4.0
95.01394	5.8
98.22559	2.1
99.04560	1.8
101.02436	30.6
108.02164	11.2
109.02946	14.8
111.00906	1.9
113.02465	22.9
119.03515	18.8
119.18174	1.9
121.02995	1.9
123.00888	6.5
124.01671	4.6
125.02424	4.7
131.03532	3.1
134.03635	1.9
135.04561	11.0
136.01672	27.3
137.02493	8.7
139.11348	2.3
143.03522	2.2
143.07774	1.8
147.04521	2.3
149.04543	3.1
149.06235	1.8
151.04013	36.8
151.05232	1.2
152.01147	11.2
153.01920	10.4
160.04060	1.6
160.05318	3.1
160.68927	1.8
161.02487	3.1
161.04567	4.5
164.04805	3.0
164.97247	1.7
165.05589	3.6
169.01396	2.8
174.06897	3.0
179.03540	14.7
179.05522	8.9
181.12355	2.0
183.10284	10.2
189.05559	20.2
189.09195	2.9
190.06303	3.2
191.03535	2.7
192.00624	1.8
193.01456	4.4
195.03004	2.9
205.08658	2.8
243.12418	2.1
253.08803	2.0
254.96959	1.9
255.05145	2.7
259.09900	4.5
281.08124	2.7
283.09561	3.0
293.08246	3.2
296.10577	3.8
308.10281	2.3
311.09308	3.0
311.12704	2.1
314.11588	2.9
315.07211	2.0
323.12921	4.0
326.11566	6.9
329.13998	8.6
330.41861	1.8
341.13937	53.7
342.14194	2.7
355.11880	3.1
359.11340	5.3
359.15091	5.0
483.18689	2.3
491.19345	23.2
492.19797	2.9
503.19250	31.9
504.19849	2.6
521.13110	8.4
521.18823	19.3
521.26984	31.6
522.20532	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44427	0.4
59.01392	3.1
71.01379	1.5
85.02971	0.6
89.02453	0.8
89.88034	0.5
93.03453	0.5
98.21797	1.2
101.02446	0.9
108.02213	0.8
109.03015	0.7
117.40687	0.4
123.04558	0.6
135.04536	8.9
136.01735	0.8
137.02403	1.0
138.01437	0.5
148.05342	1.6
149.02455	5.8
149.06047	2.3
151.04021	1.2
152.01195	0.5
163.04028	32.3
163.07643	1.2
164.04803	100.0
165.05141	3.0
175.07620	1.1
177.05568	0.5
178.06369	12.7
179.07149	82.9
179.49791	0.5
180.07533	3.5
190.26308	0.6
193.08766	1.3
262.38177	0.5
268.11038	0.9
283.13461	0.8
298.04892	1.3
313.07285	1.8
315.15820	0.6
341.13947	1.3
359.15012	56.8
360.15305	3.8
521.20471	1.5
521.33459	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	521.2033
Annotation	Lariciresinol-9-O-beta-D-glucoside
Peak:m/z	Relative Intensity
55.01878	1.3
57.03438	1.3
59.01099	1.9
59.01386	37.5
69.14089	1.9
69.14495	4.3
71.01388	22.0
72.99310	1.6
73.02942	4.2
76.80781	0.9
77.55740	0.9
78.91220	1.1
83.01398	3.9
85.02971	7.9
87.00894	1.4
89.01964	1.0
89.02454	11.1
95.01398	2.3
96.96021	1.0
98.22588	1.8
99.00874	2.1
101.02463	15.5
109.02964	10.6
113.02468	7.4
119.03522	4.8
123.04552	2.2
140.88251	0.9
153.09222	2.2
159.04550	3.9
161.04510	1.4
173.06096	4.1
179.05501	1.0
189.05537	2.6
190.06332	1.1
191.07083	1.5
193.20648	1.0
217.08658	1.2
240.04265	1.0
241.05057	3.7
241.65068	1.0
253.05005	1.1
255.06717	4.6
267.06757	1.7
268.07541	1.7
269.08133	1.0
281.08148	1.8
283.09311	1.2
295.09683	2.6
299.09256	3.0
311.09418	4.7
313.10809	7.0
326.11594	3.3
329.10236	2.7
341.13849	5.9
343.12051	2.2
344.08463	1.1
344.12650	22.7
359.15021	62.2
360.15298	2.6
382.97620	1.0
449.43701	1.0
521.20331	100.0
522.20679	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	521.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	2.5
59.01382	15.2
61.98833	5.2
70.77325	4.3
79.48605	2.8
80.68945	2.2
83.01392	3.0
85.02960	12.7
85.06620	3.3
86.73711	2.1
87.00876	8.5
87.04520	8.4
95.05026	6.5
97.02986	2.9
101.06098	3.6
108.02191	2.5
109.02993	3.1
111.00928	2.5
111.04537	37.7
111.08155	3.7
113.02469	6.3
113.06107	6.3
123.00906	2.9
123.04572	3.0
123.08138	13.6
125.02457	17.8
125.06104	7.7
127.07672	7.1
137.02472	3.9
139.07631	3.4
141.01944	7.9
141.09241	8.6
151.00386	2.8
151.03941	3.5
151.07722	3.0
153.01985	3.2
155.03523	3.8
155.07162	21.7
163.07681	10.5
165.09250	9.0
166.80014	2.4
167.07149	5.1
169.01392	2.1
177.05554	18.1
179.07169	25.2
180.04242	2.7
181.05147	5.6
181.08673	4.4
182.02283	2.6
183.06612	15.8
191.07199	4.0
191.10748	2.8
193.08704	3.8
195.06645	100.0
196.06970	5.0
197.04552	21.1
197.08173	2.7
197.11989	2.1
205.05104	2.9
207.06639	17.1
209.08203	34.9
211.06079	16.0
213.07649	5.6
221.08183	5.5
223.06131	93.8
223.09593	4.2
224.06842	8.9
225.07709	70.3
226.08060	3.8
235.09650	2.9
235.13419	7.5
237.11444	3.4
239.05597	25.4
240.05876	2.9
248.06912	8.1
251.05620	20.4
263.12909	11.2
275.09274	4.9
275.12860	3.1
279.08926	2.8
279.12250	5.3
285.04150	8.9
291.12390	10.4
295.11774	16.1
297.13461	55.7
298.13892	4.1
335.11182	3.1
347.15076	4.5
371.15005	4.7
401.29086	2.4
459.20493	3.8
503.19266	98.0
504.19559	8.8
521.20251	63.5
521.29291	3.1
521.34039	12.5
522.20355	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	521.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60828	2.0
52.66587	1.9
58.67909	2.0
59.01098	3.1
59.01383	45.6
61.98821	4.1
71.01393	30.8
71.29506	3.5
72.99285	3.6
73.02937	2.7
83.01419	2.5
85.02921	5.7
87.00872	2.9
89.02448	33.8
95.01407	3.6
96.95993	3.7
99.00891	2.8
99.04497	3.2
101.02445	9.4
101.21814	2.5
108.02175	3.5
109.02979	2.9
111.00918	2.3
113.02451	6.8
121.02945	2.9
123.00871	10.1
123.04515	14.2
125.02465	25.7
131.03500	13.4
137.02434	3.3
139.00439	3.6
139.04007	2.5
140.01131	2.9
149.04607	13.1
151.00351	4.9
153.01897	3.3
153.05624	23.7
163.07664	2.3
167.10786	100.0
168.00632	3.4
168.11174	3.0
169.01445	13.2
169.02716	2.4
171.88651	2.2
181.05069	4.1
191.05586	6.4
195.57466	2.5
209.03766	2.1
233.65984	2.5
237.11288	6.9
253.53372	2.6
267.06128	2.5
271.04666	2.4
285.00302	2.6
293.08759	10.0
301.03537	8.5
311.09589	2.4
327.07092	2.9
343.04587	4.3
344.05313	6.7
359.07703	19.3
416.65863	2.5
485.12766	2.7
491.19733	9.1
521.13745	4.5
521.20361	51.6
521.35223	16.6
522.20477	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	521.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	6.7
57.03439	10.8
59.01367	24.7
61.98821	29.9
68.99282	70.0
73.37086	6.6
73.39285	6.1
75.52612	6.2
87.04510	10.8
89.91428	6.5
96.96011	10.2
97.06570	7.4
108.02180	100.0
109.02972	16.9
109.06584	13.3
111.04535	10.9
123.04536	48.9
123.08184	9.4
125.02402	8.8
150.11858	7.6
151.04053	14.5
179.07080	9.8
181.08705	21.5
183.06735	6.4
190.02661	8.4
191.03444	23.2
195.06598	18.8
205.05061	9.7
209.08179	29.9
211.09685	13.4
216.14796	8.1
221.08252	12.0
223.06142	11.3
225.07678	15.3
237.15047	7.7
255.06606	10.9
285.04053	15.5
397.16629	44.7
417.76837	7.6
485.32928	18.2
503.20676	38.8
521.21448	56.9
521.31238	39.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.2
59.01382	100.0
68.44534	1.3
71.01386	17.8
73.02958	4.6
83.01392	2.9
85.02955	8.7
86.62973	1.2
87.00887	1.7
89.02447	5.7
92.53987	1.2
93.03463	1.5
95.01387	5.0
95.05023	1.5
99.00895	1.8
99.04514	2.4
101.02452	12.0
107.01375	3.1
108.02225	1.9
111.00880	3.6
113.02440	8.0
119.03487	3.3
123.00881	8.9
123.04559	2.9
124.01703	2.1
125.02458	18.7
133.02951	1.3
134.03766	1.2
135.04538	7.5
137.02452	2.4
139.00381	4.0
139.11299	6.7
140.01128	3.4
141.01956	2.4
149.02478	2.0
149.06071	2.3
151.00356	7.3
151.03964	2.1
152.01009	1.3
161.02484	2.5
161.04533	5.0
164.04807	4.3
165.05565	1.3
168.00626	4.2
169.01434	30.1
177.05560	3.4
179.03487	9.3
179.07169	3.4
181.12354	3.3
183.10297	11.3
191.05603	8.3
191.07086	1.9
193.08707	1.5
204.04158	1.3
207.10326	3.3
207.13875	3.0
209.08220	1.5
209.11818	3.7
211.02493	18.8
219.06583	4.4
221.04561	3.7
225.11340	1.9
225.14960	4.3
227.12920	25.1
251.05629	3.0
251.11391	4.7
269.13879	3.0
271.04590	21.1
272.04776	1.2
287.14917	1.5
295.10419	1.3
299.05566	1.8
313.05658	2.4
315.12326	2.6
329.23563	1.7
341.13843	6.2
347.24228	10.7
359.11182	3.6
359.15045	6.0
401.12335	2.2
431.13510	1.5
461.14566	1.5
503.25217	10.5
521.20032	72.2
521.26263	69.1
522.19757	7.2
522.27216	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	521.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.2
59.01382	100.0
68.44534	1.3
71.01386	17.8
73.02958	4.6
83.01392	2.9
85.02955	8.7
86.62973	1.2
87.00887	1.7
89.02447	5.7
92.53987	1.2
93.03463	1.5
95.01387	5.0
95.05023	1.5
99.00895	1.8
99.04514	2.4
101.02452	12.0
107.01375	3.1
108.02225	1.9
111.00880	3.6
113.02440	8.0
119.03487	3.3
123.00881	8.9
123.04559	2.9
124.01703	2.1
125.02458	18.7
133.02951	1.3
134.03766	1.2
135.04538	7.5
137.02452	2.4
139.00381	4.0
139.11299	6.7
140.01128	3.4
141.01956	2.4
149.02478	2.0
149.06071	2.3
151.00356	7.3
151.03964	2.1
152.01009	1.3
161.02484	2.5
161.04533	5.0
164.04807	4.3
165.05565	1.3
168.00626	4.2
169.01434	30.1
177.05560	3.4
179.03487	9.3
179.07169	3.4
181.12354	3.3
183.10297	11.3
191.05603	8.3
191.07086	1.9
193.08707	1.5
204.04158	1.3
207.10326	3.3
207.13875	3.0
209.08220	1.5
209.11818	3.7
211.02493	18.8
219.06583	4.4
221.04561	3.7
225.11340	1.9
225.14960	4.3
227.12920	25.1
251.05629	3.0
251.11391	4.7
269.13879	3.0
271.04590	21.1
272.04776	1.2
287.14917	1.5
295.10419	1.3
299.05566	1.8
313.05658	2.4
315.12326	2.6
329.23563	1.7
341.13843	6.2
347.24228	10.7
359.11182	3.6
359.15045	6.0
401.12335	2.2
431.13510	1.5
461.14566	1.5
503.25217	10.5
521.20032	72.2
521.26263	69.1
522.19757	7.2
522.27216	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	521.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62386	1.6
55.01883	4.0
56.27360	1.8
57.03452	4.7
57.30312	1.7
59.01385	96.1
61.98817	2.6
69.03471	3.1
69.17983	14.9
71.01386	76.3
72.99322	2.9
73.02955	25.6
75.00876	3.0
77.30415	1.5
78.42551	1.8
78.95906	1.9
79.05521	4.6
79.10928	1.7
80.98190	1.9
81.03484	4.4
83.01395	16.1
85.02958	32.0
87.00892	7.7
87.04505	4.6
89.02456	25.2
93.03504	2.8
95.01413	9.3
96.96050	5.4
96.97015	2.1
97.02934	2.0
99.00898	10.7
101.02446	52.7
103.04044	6.2
107.06425	2.1
108.02175	17.5
109.02957	16.3
113.02459	27.2
115.00398	4.4
119.03494	9.2
123.00856	3.4
123.04530	35.2
125.02473	7.8
125.09771	2.4
134.03754	4.7
135.04573	3.5
137.02469	7.1
143.03540	4.9
148.05330	16.4
149.09747	7.0
151.03943	2.2
152.01157	11.8
153.01994	9.4
153.05592	4.7
159.02960	3.4
160.01752	2.7
161.02512	2.8
161.04567	37.8
163.04070	2.1
163.06152	5.9
163.07681	8.6
164.04776	4.1
165.05588	4.9
171.67459	1.9
174.01727	8.5
175.02493	4.9
175.03987	4.9
177.05644	5.0
179.03526	2.6
179.05602	3.1
193.08698	63.6
194.09186	2.6
288.61334	1.8
307.54022	2.1
315.18121	49.2
315.21506	3.6
316.18362	2.8
358.12393	2.0
359.14981	9.5
359.27924	6.6
369.39832	2.0
414.42212	2.0
425.12738	2.4
461.23935	100.0
462.24289	6.6
477.17871	5.7
521.16833	9.9
521.19659	9.6
521.33600	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	521.3039
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01824	1.8
57.03441	2.9
59.01381	4.0
61.98838	2.7
66.12781	2.0
66.37331	1.9
69.11291	4.1
69.11698	9.9
77.47250	2.3
80.59315	2.0
93.05856	2.5
379.30270	2.4
391.29727	3.0
409.31119	17.0
439.32016	14.4
441.33749	2.6
469.49234	2.3
473.32758	100.0
474.33060	6.6
485.32513	6.7
517.31488	3.5
521.28522	2.4
521.34308	10.6
528.03284	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	521.3035
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91039	3.1
59.01356	5.2
60.72188	2.9
61.98829	7.5
71.30144	3.6
79.96311	3.1
111.65459	3.4
118.23962	3.5
131.41121	3.3
161.02475	6.4
193.45581	2.8
226.97995	3.3
265.39316	4.0
309.47034	3.5
361.23886	6.3
439.32166	5.2
441.33582	10.5
457.32837	5.7
485.32843	100.0
486.33047	10.8
521.27734	15.4
521.34949	12.6
522.32123	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	521.304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	29.7
61.98822	60.0
65.18182	16.1
69.08656	72.0
69.09059	36.5
70.02651	13.3
78.95879	14.5
101.21075	14.1
101.92014	13.7
102.29611	13.2
102.95061	14.5
103.83504	14.0
119.54324	15.9
133.02962	18.7
134.03757	19.4
135.04565	35.4
161.02412	85.9
165.79774	14.0
167.60242	15.9
180.43478	16.2
181.77202	17.5
342.26196	16.9
485.33273	19.4
503.29895	21.8
521.13489	30.5
521.27216	100.0
521.35272	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	521.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10416	0.5
132.02176	0.8
133.02965	15.4
134.03787	3.1
135.04547	4.4
137.02441	2.0
139.04082	0.6
151.00388	0.7
161.02457	39.3
162.02797	1.1
166.02759	0.7
166.99519	0.6
178.02689	0.8
179.03490	1.6
189.54790	0.5
190.69862	0.5
200.53589	0.6
229.15584	0.5
259.93204	0.5
298.71106	0.6
299.56314	0.5
346.96954	0.5
367.69244	0.5
394.57355	0.7
399.83038	0.7
456.35577	0.8
521.32794	100.0
522.33124	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	521.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35545	1.3
54.64864	1.3
59.01399	2.3
63.65305	1.5
70.54023	2.0
71.01370	1.4
76.58977	1.5
77.15662	1.5
78.95916	2.5
89.02457	1.9
94.90137	1.2
96.96018	4.5
96.96945	1.9
113.02456	2.7
124.81778	1.4
125.02471	2.3
131.08276	90.7
131.72205	1.4
153.01971	2.1
156.07776	5.9
167.03572	1.5
173.10451	100.0
180.06779	1.6
186.67076	1.4
191.05551	3.2
201.10010	1.4
213.67873	1.7
243.03708	2.2
245.67162	1.3
291.68384	1.4
321.84665	1.5
340.98108	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.7
57.03441	1.5
59.01381	32.3
61.98824	1.7
71.01389	9.6
72.54993	0.5
72.99311	0.9
73.02949	5.1
75.00851	1.0
83.01389	1.6
85.02959	4.9
87.00887	1.5
87.04517	1.0
89.02461	4.3
95.01398	1.5
99.00877	1.1
101.02453	6.1
108.02175	1.3
109.02962	1.2
113.02494	3.3
115.16804	0.5
119.03506	1.2
121.02958	0.7
123.04528	1.0
124.01624	0.5
125.02469	2.3
135.04552	1.1
149.02425	0.9
149.06065	0.6
151.04034	1.4
159.12807	0.6
161.02415	0.7
163.04010	3.1
164.04813	7.9
165.09171	0.8
169.01427	1.3
178.06355	1.1
179.03516	0.6
179.07120	5.5
180.07657	0.7
187.20665	0.6
193.08707	1.3
195.06573	1.1
209.08212	2.4
313.23956	2.5
341.27097	3.3
359.07724	0.8
359.11389	0.7
359.15118	4.2
359.28000	18.3
360.28528	1.1
429.30103	0.7
442.52762	0.6
459.30890	1.6
473.32675	2.4
503.32135	2.2
521.16821	2.2
521.33374	100.0
522.33630	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	521.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	5.3
57.03449	5.2
58.00594	3.2
59.01385	59.2
61.98835	2.2
64.32227	1.0
67.01891	1.4
69.03461	1.6
71.01389	55.9
72.99311	4.3
73.02954	17.6
75.00872	1.0
83.01402	9.6
83.61729	0.9
85.02966	26.0
85.06571	0.9
87.00892	4.8
87.04535	2.4
89.02457	30.0
89.02907	1.1
93.03455	2.2
95.01402	5.6
97.02970	1.8
99.00900	7.5
101.02451	45.4
102.02852	1.1
108.02198	4.7
109.02972	6.6
111.00917	2.7
113.02462	20.5
115.34926	1.1
119.03523	16.5
121.02994	2.3
121.10247	2.8
123.00916	6.0
123.04536	2.9
124.01680	2.5
125.02459	5.8
127.11343	1.1
129.01942	1.5
131.03531	1.5
134.03787	1.7
135.04549	2.7
136.01695	1.2
137.02441	6.8
138.03291	2.7
138.33479	1.0
139.00430	1.5
141.12898	1.1
143.03558	2.5
149.04778	1.1
149.06075	4.8
151.04031	1.6
153.01924	1.1
157.12306	1.3
159.02995	3.5
161.02477	1.4
161.04570	11.9
164.04863	2.6
165.05618	1.4
167.10814	1.2
168.00710	1.4
169.01454	3.4
169.12373	1.8
171.10274	1.4
171.14053	0.8
179.03490	2.3
179.05676	4.7
179.07150	2.0
187.13387	1.9
190.02628	1.2
191.07178	1.3
193.05148	1.3
195.06551	1.1
201.14999	7.1
202.06313	1.2
203.07097	1.5
209.08289	1.2
215.12822	1.2
241.40219	1.0
253.10982	1.1
299.99213	3.0
300.99811	1.3
311.09335	1.7
315.18311	3.1
326.11707	2.2
331.07022	1.2
338.33322	1.4
341.10248	1.9
341.13806	7.0
341.27039	3.1
343.12158	1.0
344.12613	1.9
355.25024	1.1
359.10999	1.8
359.15039	28.5
359.28033	41.8
360.11148	1.3
360.15118	1.8
360.28448	2.7
373.25989	21.9
387.09357	1.3
461.23987	9.6
462.23795	1.1
521.07202	1.8
521.33472	100.0
522.33813	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	521.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15782	2.6
59.01392	14.3
61.98820	6.2
71.01368	14.2
71.27785	3.5
73.02952	100.0
73.10036	3.0
80.96534	5.8
82.17659	2.8
85.02934	4.0
91.61223	2.8
97.06628	3.2
107.07590	3.2
108.02184	11.1
109.02966	13.2
121.03074	3.8
123.04535	6.5
134.03787	7.1
135.04570	5.0
136.01675	23.5
137.02428	6.3
149.06067	5.6
151.04033	22.2
154.80695	2.9
159.04500	4.3
163.03990	4.6
179.07104	3.6
181.08763	4.9
183.10300	8.1
191.03491	9.2
191.14363	3.6
207.60573	3.1
209.08191	3.2
237.14960	4.3
259.17102	4.4
283.06259	3.5
309.11227	4.4
313.10791	5.5
315.08826	3.4
365.28479	20.8
367.30161	6.7
385.31088	12.5
399.28955	4.0
411.28879	5.5
429.30054	5.2
433.33286	4.3
443.14877	6.1
458.17270	9.9
459.30862	3.6
460.10843	3.5
473.19760	43.9
474.20096	5.4
477.33109	3.5
487.34369	45.4
491.20651	9.6
501.32364	6.2
503.20947	58.0
503.33368	15.6
504.20972	4.1
521.30908	93.6
522.31738	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	522.271
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89385	3.1
59.01379	4.0
61.98825	10.7
65.18905	3.1
68.16550	3.4
68.16935	3.0
69.04187	12.2
69.04613	15.1
90.01703	3.2
98.21716	5.8
175.04004	4.3
317.21231	100.0
318.21643	4.1
445.73883	3.6
518.71735	3.5
522.27045	4.8
522.35913	16.6
523.36975	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	523.1458
Annotation	verminoside
Peak:m/z	Relative Intensity
52.94831	1.6
59.01382	9.0
61.98815	1.7
70.44809	2.1
70.45160	2.6
71.01396	8.9
72.99319	9.6
73.02930	2.5
73.93011	1.5
77.33504	1.4
82.95416	4.8
83.01416	1.7
83.56702	1.5
85.02954	3.7
87.00906	2.7
89.02432	2.2
98.22486	1.7
99.00882	2.2
101.02431	4.5
107.01385	10.8
109.02947	2.6
111.00891	16.4
113.02465	1.8
123.00932	8.7
124.01684	2.5
125.02456	56.0
135.04572	3.5
136.98810	2.8
139.00351	4.3
140.01128	4.1
151.00369	6.1
151.04054	2.2
161.02568	3.0
168.00668	6.4
168.99988	3.3
169.01427	61.7
179.03470	7.6
183.03027	1.9
189.04311	2.3
193.06564	1.6
194.05832	5.7
195.06659	2.3
207.08208	5.1
209.08167	3.9
219.08118	2.5
225.09241	2.2
235.07585	3.5
237.09242	6.6
241.08553	1.7
248.08163	1.6
249.05988	1.7
251.07156	2.2
253.08716	12.7
263.07288	1.9
269.08292	2.4
281.08298	6.3
287.09293	7.0
297.07779	4.5
299.09430	3.2
311.10605	2.3
313.05637	21.7
313.11078	2.2
315.08780	31.8
321.90195	1.6
325.07175	3.1
327.07272	3.5
343.08224	19.8
343.12576	5.2
361.09329	20.9
477.14023	5.5
479.11826	2.2
505.13632	12.3
523.14581	100.0
524.15540	8.6
526.73114	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	523.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	3.0
67.01903	0.7
68.99791	0.5
69.03326	3.6
69.03715	1.0
71.01389	5.6
71.05021	3.0
73.02929	0.8
73.30758	0.4
79.01892	2.5
81.03483	0.6
83.01395	0.7
85.02960	1.1
85.06597	1.0
87.04524	1.2
87.05157	0.5
89.02449	1.0
95.01390	1.4
95.05030	2.2
97.02957	4.4
101.02442	2.7
102.32571	0.5
103.43301	0.4
107.01393	7.8
108.02183	0.5
109.02959	0.7
109.06602	1.8
111.00901	1.7
111.04530	6.6
113.02464	1.5
121.02986	1.5
123.00883	6.7
123.08174	2.1
124.01700	1.5
125.02455	50.2
126.02809	1.2
126.83799	0.4
135.04541	1.5
136.98978	0.5
137.02448	0.6
137.06087	1.1
139.00409	2.4
139.04019	27.8
140.01152	2.1
140.04410	0.9
141.01938	0.6
141.09229	0.5
147.08138	0.8
149.02461	0.4
149.06050	0.5
150.06876	0.7
151.00386	4.9
151.03987	0.8
152.01070	0.5
153.01918	0.6
153.05577	0.7
163.04053	1.8
163.07690	0.8
165.02065	1.0
165.09224	16.7
166.02794	0.5
166.09621	0.5
167.03540	0.9
167.07123	0.6
168.00638	4.2
169.01436	73.4
170.01787	1.3
179.03514	0.6
181.05086	2.0
190.02660	0.5
191.07130	2.6
193.01509	0.7
195.02974	0.6
209.08200	53.0
210.08516	2.5
211.02493	6.7
241.03584	3.5
251.09204	0.7
253.03563	0.9
271.04626	9.8
272.04886	0.6
295.04669	0.5
313.05661	46.6
314.06000	2.4
317.14053	0.4
331.06873	1.5
343.15063	0.5
361.12808	1.3
371.13409	1.4
383.09918	1.6
435.09256	0.8
453.10406	13.4
453.16507	1.0
454.10931	0.7
473.50244	0.5
505.13641	1.4
523.14569	100.0
524.14844	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	523.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26565	2.1
57.03449	3.2
59.01368	7.7
61.98830	34.4
63.44905	2.3
69.65825	8.6
71.01370	9.3
72.99337	2.3
75.12067	2.1
81.03447	5.5
83.01392	3.7
85.02951	4.2
89.02473	2.1
91.64069	2.1
99.08114	2.3
101.02416	4.6
107.01398	7.9
109.02950	5.5
114.35569	2.3
123.00867	9.1
123.08163	2.5
124.01685	2.2
125.02459	71.1
125.06041	12.7
135.04495	2.9
137.02434	5.2
139.00471	4.9
151.00331	8.7
151.03996	4.3
153.01924	5.8
163.03841	2.5
165.05534	4.3
165.09210	29.2
167.07179	2.8
167.10783	2.3
168.00667	2.9
169.01437	74.4
175.03813	1.9
190.16997	2.3
209.08192	82.4
211.02420	5.5
241.05043	4.5
271.04535	6.0
313.05624	58.6
314.06128	3.8
319.41110	2.3
343.15491	3.3
361.08423	3.9
421.99466	3.0
439.08679	8.7
485.12259	7.5
522.92578	4.1
523.14447	100.0
523.21350	7.8
523.34845	8.7
524.14612	7.5
524.35706	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	523.146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.7
55.65027	0.3
57.03450	0.6
57.32864	0.3
59.01379	1.1
61.98817	1.5
66.87054	0.3
67.01897	0.5
68.86519	0.3
69.03439	1.0
69.15640	1.6
69.16042	0.8
69.45104	0.3
71.01382	2.1
71.05011	1.6
72.99283	0.4
73.02940	0.9
78.48533	0.3
79.01894	2.1
83.01385	1.1
85.02962	1.9
85.06595	0.8
87.00887	0.6
87.04563	0.5
95.01401	1.2
95.05022	2.6
97.02946	3.1
99.25716	0.4
101.02456	2.4
107.01396	7.2
109.02969	0.7
109.06596	1.5
111.00865	1.7
111.04537	4.1
113.02448	1.5
121.02930	1.0
123.00889	5.9
123.08174	2.0
124.01691	1.4
125.02457	41.8
126.02782	0.7
127.00441	0.5
127.14256	0.4
135.04539	1.6
136.98784	0.5
137.02446	0.5
137.06070	0.4
139.00406	2.4
139.04025	13.3
140.01152	2.6
141.01985	0.6
147.08159	1.1
149.02441	3.1
149.05995	0.5
150.69974	0.4
151.00398	3.8
151.04028	0.6
153.01889	0.4
153.05542	0.6
161.06116	0.7
163.04028	1.4
163.07661	1.0
164.04808	6.1
165.01949	1.4
165.09213	16.5
166.02675	0.5
166.09586	0.9
167.03514	0.6
167.07161	0.6
168.00653	3.8
169.01439	50.3
170.01790	1.4
179.03500	0.5
179.07147	4.0
181.05084	0.6
191.07202	1.3
193.01524	0.4
205.05286	0.5
207.10341	0.5
209.08209	100.0
210.08551	3.8
211.02550	0.9
223.02457	0.6
225.04164	0.5
251.09273	1.3
253.03603	0.8
271.04572	2.7
273.10593	0.3
283.08115	0.5
309.40247	0.4
313.05670	39.8
314.06024	1.7
331.06650	0.8
343.14066	1.4
353.12488	0.8
371.13550	0.7
405.50858	0.4
453.10223	0.4
505.13446	1.1
505.20880	2.5
523.14581	37.0
524.14880	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	523.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61662	1.0
52.67176	0.9
52.97192	1.1
53.83952	1.1
54.48169	1.0
58.22549	1.2
59.01384	4.8
59.27698	1.0
67.01888	1.7
69.03462	0.9
69.36121	6.4
71.01399	5.8
71.05017	1.7
79.01900	2.2
83.01389	2.9
85.02943	3.4
85.06583	1.3
87.00857	1.4
87.04512	2.1
89.02464	2.3
93.03477	1.5
95.01392	1.7
95.05044	4.1
97.02952	4.9
101.02446	4.3
101.09330	1.1
107.01394	8.8
109.06579	3.7
111.00910	4.4
111.04529	5.8
113.02445	3.0
119.03543	1.1
123.00901	12.5
123.08169	1.8
124.01692	4.6
125.02460	64.1
127.00346	1.4
135.04462	1.6
136.98796	3.0
139.00417	6.9
139.04019	23.2
140.01216	5.6
141.01962	1.2
149.06055	1.1
151.00394	7.9
163.04054	4.5
163.07753	1.4
165.09206	20.9
166.09564	1.3
167.07111	2.4
168.00674	8.7
169.01445	76.5
170.01794	1.6
181.05058	1.9
191.07150	2.5
207.10291	1.7
209.08217	79.8
210.08571	3.3
211.02550	1.3
251.09271	2.6
313.05673	66.6
314.05957	3.7
331.06741	5.7
371.13486	10.6
453.10587	2.4
505.13635	2.9
523.14563	100.0
523.34619	9.0
524.14886	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	523.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75273	1.0
57.03417	0.9
59.01351	3.2
61.98810	2.3
65.00312	1.0
69.03455	1.1
69.82014	0.8
71.01372	2.6
77.41447	0.7
81.03465	5.1
83.01368	1.9
85.02981	2.0
87.04484	0.8
93.03402	1.1
95.01377	1.5
96.95982	1.4
97.02938	2.7
99.08126	1.0
101.02419	2.4
101.06116	1.1
107.01394	6.8
108.02180	5.0
109.02953	3.3
111.00848	1.3
111.04509	1.9
113.02438	1.2
121.02937	2.4
123.00909	6.4
123.04475	1.5
123.08133	3.8
124.01671	1.8
125.02455	44.8
125.06079	4.9
126.02746	1.5
135.04503	1.7
137.02461	2.3
139.00352	3.1
139.04045	4.7
140.01143	2.8
149.02409	1.0
150.03267	1.1
151.00423	4.7
151.03984	1.6
152.01099	2.9
153.01915	1.8
165.05594	1.2
165.09212	25.6
168.00569	3.2
169.01431	52.1
177.05328	1.1
179.03416	1.9
181.08766	1.4
191.07127	2.0
209.08200	100.0
210.08458	4.0
211.02463	1.9
233.08203	1.0
251.09351	2.1
271.04672	2.3
313.05685	37.5
323.76608	0.9
333.12274	0.9
348.07047	1.0
453.10095	1.2
505.18301	2.1
523.14441	65.4
524.14929	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	523.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55492	1.3
51.45982	1.2
57.03436	3.0
59.01387	12.5
62.49858	1.2
64.37751	1.2
64.79698	1.3
69.63616	5.4
69.63988	2.1
71.01390	12.5
72.99311	1.1
73.02988	1.3
81.03442	6.0
83.01392	2.1
84.31075	1.2
85.02963	3.9
87.00890	1.9
89.02454	4.8
95.01373	1.9
97.02979	1.2
101.02472	4.8
101.87439	1.2
107.01403	8.2
111.00857	1.8
113.02469	3.6
119.03537	1.4
122.03772	6.0
123.00913	7.2
123.08189	1.9
125.02459	81.3
125.06064	7.7
135.04517	3.0
139.00360	2.9
140.01128	1.6
148.05434	1.3
149.06062	2.9
151.00372	6.2
153.80141	1.3
165.07808	1.9
165.09216	35.4
167.03493	1.2
167.07155	39.9
168.00648	4.1
168.07526	1.9
169.01442	73.1
191.07117	2.6
209.08199	63.7
210.08525	2.1
211.02547	5.9
233.08247	1.8
241.03502	2.2
271.04663	5.5
313.05667	49.9
313.09207	2.7
314.06082	2.3
328.11734	2.8
329.12433	74.7
330.12747	3.0
345.34006	1.8
346.87613	1.4
439.08862	43.6
440.09283	3.2
492.79022	1.4
506.34909	1.4
523.14703	100.0
523.21960	18.4
523.34857	4.9
524.14862	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	523.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	0.6
68.84565	0.4
69.06120	3.7
71.01384	2.1
71.05009	1.5
73.33616	0.5
77.79102	0.5
78.48515	0.5
79.01892	1.8
83.01395	0.7
85.02972	0.7
85.06586	1.4
87.04524	1.1
91.64438	0.5
92.38876	0.4
93.03461	0.4
95.01408	1.3
95.05034	3.5
97.02956	2.4
101.02433	0.7
107.01405	4.7
107.05065	0.6
109.06578	1.6
111.00889	0.9
111.04533	3.0
121.02951	0.6
123.00890	2.9
123.04589	0.6
123.08179	1.9
124.01682	1.1
125.02458	27.7
135.04507	0.5
139.00388	1.2
139.04033	14.9
140.01144	1.2
141.01953	0.5
147.08147	0.6
150.06850	0.8
151.00392	2.9
163.04002	0.7
163.07736	0.6
165.01952	1.2
165.09221	27.7
166.09543	1.1
168.00671	1.7
169.01440	36.7
170.01830	0.6
181.05103	0.5
183.68391	0.5
191.07170	1.6
209.08202	70.9
210.08511	2.6
211.00650	0.6
211.02518	6.6
233.08208	4.8
241.03592	1.3
251.09280	1.3
271.04666	5.2
280.50836	0.5
313.05692	21.4
314.06036	1.1
453.10437	1.7
523.14606	100.0
524.14996	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.4
59.01388	6.7
60.42109	0.9
60.48970	1.1
60.84283	0.8
61.98817	3.9
69.03455	1.3
71.01380	5.9
71.05003	2.9
71.28596	1.4
72.99292	1.5
73.02950	1.9
78.18488	0.8
79.01900	2.8
80.76860	0.9
81.03469	1.0
83.01402	3.0
85.02943	2.4
85.06611	1.0
87.00860	1.1
87.04528	2.8
89.02396	1.1
93.03463	1.0
95.01348	1.1
95.05042	5.2
97.02953	5.5
99.00863	1.0
101.02450	3.5
107.01395	4.4
107.05022	2.1
109.02943	1.1
109.06593	2.6
111.00872	2.7
111.04509	7.0
113.02447	3.3
121.02931	1.3
122.03845	1.2
123.00896	9.0
123.04511	2.4
123.08168	3.8
124.01685	1.7
125.02456	43.9
127.00412	1.2
135.04536	2.3
136.98779	2.0
137.02420	1.6
138.03145	1.3
139.00383	4.7
139.04025	25.5
140.01157	4.4
141.01903	1.0
147.08200	1.5
149.02455	2.6
150.06912	1.0
151.00383	5.2
151.03940	1.2
151.07617	1.1
163.04012	2.6
164.04814	4.0
165.01930	2.2
165.05571	3.7
165.09219	25.6
166.06317	2.2
167.07120	2.1
168.00645	7.1
169.01431	57.6
170.01759	1.2
177.01947	1.5
179.03542	3.2
179.07138	2.4
181.05061	1.4
181.08653	1.4
191.07108	2.1
195.02898	1.7
195.06682	1.4
209.08194	98.9
210.08556	4.2
211.02460	1.9
216.12825	1.0
251.09299	2.8
271.04565	2.8
277.02887	1.1
299.09601	1.1
313.05637	38.0
314.06140	1.3
328.09583	1.9
329.12271	1.5
331.06754	2.2
343.11853	2.2
361.16330	1.6
371.13516	3.3
402.06363	0.9
435.19965	1.0
436.20273	1.1
444.84695	0.9
475.17551	3.1
505.13950	1.6
522.33209	1.3
523.14581	100.0
523.35217	8.2
524.14673	7.9
537.40735	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84607	0.6
55.01872	0.6
57.03444	0.8
59.01379	5.5
61.98821	1.8
62.31579	0.6
67.01913	0.6
69.03451	1.0
71.01380	5.8
71.05018	1.1
71.28432	0.8
73.02940	2.1
79.01896	2.3
81.03453	1.1
83.01386	1.4
83.05029	0.6
85.02947	2.2
85.06596	1.4
87.00887	0.8
87.04513	3.6
89.02462	0.8
95.01421	0.7
95.05019	3.8
97.02969	3.2
99.00906	0.8
101.02422	3.0
107.01399	6.1
107.05048	1.4
108.02196	1.2
109.02901	0.8
109.06579	2.4
111.00893	1.7
111.04545	5.2
113.02444	2.3
121.02966	1.9
123.00898	6.3
123.04526	3.2
123.08183	3.2
124.01672	1.9
125.02456	45.9
126.02796	0.9
135.04538	1.5
136.98886	0.6
137.02403	0.7
139.00377	2.6
139.04024	10.0
140.01138	1.8
141.01962	0.7
147.08138	1.0
149.02472	1.3
149.06075	0.7
150.06857	1.2
151.00394	4.6
151.04047	0.8
151.07671	4.6
152.01208	1.0
163.07683	0.9
165.01976	1.5
165.09215	21.0
166.09502	1.0
168.00647	2.2
169.01440	50.1
170.01790	1.8
177.05554	0.8
178.02710	0.7
179.03513	1.5
181.05069	0.9
191.07138	2.0
193.05127	0.8
193.08693	10.9
194.09068	0.8
195.06645	19.4
196.06870	0.8
209.08200	100.0
210.08495	3.4
211.02438	1.3
243.12323	1.3
244.12749	1.3
251.09341	1.3
253.03520	0.8
271.04605	1.4
313.05682	34.8
314.06104	1.3
425.33606	0.7
463.26141	1.0
500.16742	0.7
522.33801	2.5
523.14594	65.4
523.21460	3.8
523.33533	3.4
524.14960	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	523.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	12.9
69.29629	3.0
69.30034	1.8
71.01365	5.3
73.02928	1.7
82.81658	0.7
84.22675	0.7
85.02934	1.8
87.00877	0.9
89.02457	3.7
93.03410	1.0
98.22549	1.3
101.02419	3.1
107.67617	0.7
108.02158	3.0
109.02962	8.0
110.91282	0.7
111.00838	1.0
113.02447	2.3
119.03534	1.2
123.04494	1.5
125.02430	1.4
130.76410	0.7
135.04535	1.6
135.06618	2.2
137.02458	18.6
138.03191	2.9
139.04016	1.6
139.11282	8.4
151.04018	0.9
152.01175	2.9
153.01901	2.3
163.04013	1.7
163.06107	1.6
163.11206	1.1
163.70398	0.8
164.04807	82.8
165.05179	2.4
167.03506	1.5
169.04951	0.9
179.07149	100.0
180.07475	3.3
181.05081	1.0
181.12350	1.5
183.10281	8.8
195.03000	2.1
195.06512	0.7
207.73491	0.9
225.07726	0.9
225.11365	3.3
236.12065	0.9
255.05048	1.2
297.12106	1.0
307.10580	1.2
311.07776	1.4
343.11984	2.2
361.12976	1.0
387.16675	3.9
398.19431	0.9
404.39999	0.9
463.22025	1.1
487.18240	16.2
505.23340	1.7
523.17871	7.5
523.24493	29.5
524.24658	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45160	2.4
55.45047	2.2
57.03429	3.5
59.01380	13.0
64.56110	2.1
67.23640	1.9
69.11531	15.7
71.01385	100.0
72.99314	29.8
85.02962	3.2
85.61597	2.4
87.00876	34.9
88.45839	2.2
89.02437	7.4
99.03005	2.1
113.02476	3.0
115.00352	26.6
119.03476	2.4
126.49061	2.6
129.01953	8.2
133.01460	2.2
147.03008	82.7
174.08862	2.1
194.15619	2.3
199.42107	2.4
225.04422	2.1
357.11960	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	523.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78883	1.7
57.23587	1.8
59.01098	3.3
59.01385	65.2
67.66366	1.5
71.01393	16.6
71.29706	2.6
72.99310	2.2
73.02934	3.3
79.95760	2.1
83.01408	3.1
85.02956	5.4
87.00893	2.0
89.02454	12.9
93.03451	2.0
95.01397	2.7
101.02470	12.6
108.02181	3.0
109.02979	19.6
111.00948	1.5
113.02441	7.0
119.03520	4.0
121.02943	6.6
122.03696	1.9
123.04513	2.4
124.01656	3.1
125.02470	5.2
133.02962	4.5
133.42162	1.7
135.04530	7.8
137.02440	4.4
137.06094	9.5
139.04010	3.7
149.02449	16.7
149.06036	2.7
150.03249	12.8
151.00247	1.7
151.03922	1.6
152.01134	6.6
153.01947	26.6
163.11292	7.5
164.04805	26.8
165.05565	12.1
167.03510	5.0
168.00648	1.7
168.44226	1.8
169.01474	5.0
179.07144	31.2
181.05093	15.4
181.08617	2.5
183.03017	2.4
195.02994	14.5
195.06645	3.6
197.04547	3.0
207.10260	9.1
255.05074	11.7
310.75708	1.8
313.05457	2.5
327.14462	5.3
341.08960	12.1
361.16629	5.2
361.22748	1.9
387.16617	62.4
388.16882	5.7
463.16052	6.9
475.19748	33.2
487.18332	3.8
505.16916	3.1
523.18225	100.0
524.19092	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	523.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01384	0.3
59.01378	2.2
61.76160	0.3
61.98834	0.5
65.03941	0.4
69.41341	0.9
69.41739	0.8
71.01385	0.9
73.02960	0.4
83.01402	0.8
93.03466	57.6
94.03788	0.9
98.22503	0.4
99.58878	0.3
101.02462	0.6
109.02956	0.4
113.02431	0.3
121.02911	0.4
123.00889	0.5
123.04512	0.3
125.02467	1.3
135.04552	0.7
137.02458	100.0
138.02766	2.3
144.07762	0.3
147.04558	0.5
159.04500	0.3
161.06067	0.3
161.09785	0.4
163.07661	0.5
166.81650	0.3
169.01514	1.6
179.10785	0.3
181.08752	1.2
193.05072	0.3
194.09285	0.3
197.11841	0.8
203.11024	0.3
205.08723	0.3
209.08293	0.9
211.02492	0.6
215.03572	0.4
223.09813	1.2
241.10916	0.9
265.10876	0.5
267.06735	0.6
271.04669	0.4
283.12125	0.3
305.08289	0.3
313.05716	0.3
326.39713	0.3
351.08667	0.4
361.16565	2.8
374.19098	0.3
385.15195	2.2
427.11801	0.4
439.09033	0.5
469.12936	1.5
479.19296	0.5
487.14194	1.1
523.18445	2.0
523.30182	0.3
524.19196	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47233	1.6
56.79201	1.7
59.01379	16.4
61.43708	1.8
61.98827	5.2
69.22835	9.1
71.01397	11.9
71.29068	1.5
73.02945	2.5
77.30285	1.6
79.01886	2.0
84.35963	1.6
85.02968	3.0
89.02443	4.9
90.27280	1.8
93.03465	54.2
95.01408	3.1
97.02960	4.3
98.22584	3.0
101.02477	7.3
107.01451	4.2
107.05063	2.4
109.02968	3.1
109.06615	2.2
113.02469	7.1
119.05034	2.3
121.02969	4.0
122.03802	1.6
123.00914	6.0
123.04552	3.5
125.02465	25.7
131.56885	1.6
135.04527	5.6
136.01672	20.3
137.02460	100.0
137.06065	13.3
138.02882	1.9
139.00395	5.2
139.04057	7.6
139.48778	2.0
141.33478	1.8
149.02487	4.6
150.03394	2.1
151.00356	3.6
151.04027	8.5
151.84901	1.9
153.01947	2.4
163.04076	2.1
165.05574	2.6
165.09184	8.8
167.03584	2.2
168.00574	1.8
169.01451	26.8
174.50385	1.8
179.03513	81.2
179.07104	2.7
179.10805	5.2
181.05103	7.6
182.80229	1.9
209.04572	31.9
209.08194	40.7
223.09830	5.6
239.05621	80.3
240.05963	2.9
264.10611	1.8
267.06613	1.7
271.04556	1.8
299.07816	22.9
313.05643	15.9
361.12888	9.0
361.16943	2.7
475.17719	3.5
487.17810	3.4
523.13483	12.2
523.21143	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	523.1823
Annotation	6-Feruloyl ajugol
Peak:m/z	Relative Intensity
54.28007	1.1
55.01875	1.2
59.01382	27.5
60.89416	1.0
61.98838	15.4
71.01388	8.0
71.29877	1.9
72.99313	14.0
73.02951	3.2
83.01392	2.0
83.05036	1.4
84.81272	1.1
85.02978	4.4
87.04568	2.6
89.02461	4.4
91.78448	0.9
93.03481	1.6
95.01378	1.8
95.04995	1.9
96.96001	1.3
101.02477	5.3
107.01408	1.9
107.05036	2.4
108.02200	2.2
109.02953	14.8
109.06591	4.8
111.00919	2.1
113.02440	2.1
119.03531	1.3
119.05064	6.7
121.02978	11.4
122.03735	4.4
123.00896	4.4
123.04544	3.9
124.01670	2.4
125.02467	14.8
135.04533	28.7
136.01651	1.5
137.02472	9.2
137.06097	41.7
139.00381	1.8
139.04015	6.7
140.01079	1.5
148.05313	2.8
149.02431	5.2
149.06075	10.7
150.03232	2.8
151.00407	1.8
151.04063	6.3
153.01968	2.3
153.05629	2.7
161.02451	1.5
163.04080	2.8
163.07664	1.8
164.04797	18.4
165.05577	4.0
165.09206	4.0
168.00679	3.1
169.01448	16.6
170.01871	1.6
177.05598	1.6
179.03496	2.9
179.07184	4.9
180.04294	1.8
181.05080	90.0
182.05476	3.7
191.03236	1.3
191.07095	1.3
193.05038	2.3
195.06613	6.2
195.10216	1.4
205.05070	2.0
206.05789	2.4
207.06602	1.4
209.08202	10.3
211.02522	3.7
241.03706	1.4
258.12732	2.6
269.19928	1.2
271.04590	3.5
272.05096	2.4
273.05142	2.7
273.14963	2.3
285.03931	1.2
287.12900	2.6
289.10938	1.5
313.05713	6.9
317.13843	3.2
328.09491	2.4
343.11862	18.0
343.15714	1.7
361.12933	100.0
362.13431	4.9
380.86719	1.3
453.10263	2.3
482.59351	1.2
505.17151	3.2
505.25497	1.2
523.18622	15.8
523.27509	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	523.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.8
57.03444	2.9
58.00575	3.1
59.01382	100.0
61.98566	2.8
61.98835	37.0
71.01388	68.0
71.28784	2.6
72.99309	11.0
73.02975	5.6
74.99094	4.8
81.03475	2.5
83.01384	4.3
83.31557	2.0
85.02962	18.2
87.00894	6.5
88.98778	3.0
89.02455	68.7
95.01414	5.1
96.96025	4.2
97.76302	2.4
99.00874	3.3
101.02451	34.4
111.00919	3.2
113.02471	24.4
119.03502	31.8
123.00907	5.4
123.04539	4.1
125.02447	14.3
131.03543	4.1
135.04494	2.8
137.02501	4.2
143.03511	8.8
161.04559	17.8
163.03992	3.1
164.04721	3.8
165.05551	2.9
166.99913	3.0
169.01450	10.1
176.83943	2.4
179.03436	4.2
179.05635	61.6
179.07138	5.6
191.05632	2.7
209.08124	3.9
227.09248	4.1
271.04553	2.9
300.99963	5.2
315.08774	11.0
343.08102	8.0
361.09259	14.5
380.15045	2.2
385.11365	4.0
389.14423	21.0
433.12656	2.7
463.18335	9.2
523.14532	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	523.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.9
57.03454	0.6
58.00582	0.6
59.01383	12.9
69.03469	0.2
71.01386	9.0
72.99303	0.6
73.02946	2.2
75.00893	0.4
83.01382	1.3
85.02953	3.9
87.00878	2.6
89.02445	4.9
93.03467	0.2
95.01405	0.6
97.02990	0.2
98.22633	0.4
99.00883	0.8
101.02444	6.6
108.02176	0.5
109.02940	0.4
111.00916	1.2
113.02467	3.0
119.03519	1.9
121.02969	0.6
121.06643	0.3
122.03733	4.5
122.81265	0.2
122.82265	0.2
124.01637	0.5
125.02456	2.1
125.06100	0.3
135.04526	4.5
137.02478	0.8
137.06059	0.4
143.03506	0.3
148.05298	1.7
149.06096	5.2
154.02802	0.4
161.04535	0.3
165.09207	1.1
166.06357	0.5
167.07144	56.3
168.07478	1.4
169.01434	2.3
171.88400	0.2
177.09178	0.2
179.05641	0.3
181.04991	0.3
187.61522	0.2
191.06973	0.2
195.06677	0.9
209.08206	3.6
237.07733	0.4
237.81076	0.3
269.13138	0.2
292.70245	0.2
311.11377	0.5
313.05716	1.2
328.11658	3.0
329.12430	100.0
330.12735	4.6
357.15555	0.5
361.29620	0.7
375.14621	0.3
485.37851	0.3
523.14587	3.0
523.21820	26.0
523.33960	4.5
524.15363	0.4
524.22278	2.1
541.85883	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	5.3
59.26182	1.4
61.98834	19.2
65.93949	1.4
68.85125	1.3
71.01387	3.5
71.29720	1.5
85.02974	2.0
93.03456	17.0
95.01400	2.2
101.02451	2.8
107.01423	3.5
108.02235	2.0
109.02940	2.0
111.00894	2.0
113.02477	2.3
123.00904	17.6
124.03199	1.4
125.02474	24.4
135.04555	2.5
136.98860	1.5
137.02454	49.4
139.00381	5.8
140.01227	3.2
141.02037	1.6
149.02431	1.6
151.00369	10.3
151.04015	2.3
153.02031	1.8
165.09238	3.4
168.00673	3.8
169.01440	27.7
179.03506	4.2
181.05089	2.4
209.08252	7.2
243.06729	2.9
305.10196	1.6
313.05765	3.7
420.39526	1.5
487.30707	2.1
493.14948	2.5
505.15109	2.5
523.15271	6.9
523.21924	100.0
523.35254	7.8
524.22382	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	523.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.5
57.03434	1.6
59.01099	0.7
59.01385	14.7
61.98831	28.6
67.01878	0.8
71.01385	12.6
71.28493	1.0
72.99324	1.3
73.02943	5.4
75.00871	0.8
79.01906	1.1
83.01394	3.6
85.02957	5.8
85.74900	0.6
86.06140	0.6
87.00880	1.8
89.02431	3.2
93.03460	1.5
95.01381	2.6
95.05019	1.4
97.02966	1.2
99.00893	2.1
101.02462	11.5
107.01388	4.5
107.05007	1.6
108.02209	1.0
109.02971	2.5
111.00892	1.9
111.04500	1.0
113.02481	5.5
119.03531	0.8
121.02967	6.9
123.00884	8.3
123.04545	1.6
123.08202	1.0
123.32368	0.6
124.01711	1.1
125.02460	20.3
126.02802	0.8
134.03795	0.9
135.04539	21.9
136.01627	0.6
136.98914	0.8
137.02481	2.2
137.06107	2.3
139.00375	2.8
139.03989	5.3
140.01149	1.7
141.01888	1.1
146.03720	3.4
147.04510	0.9
149.02449	47.0
150.02832	1.3
151.00359	6.4
153.01929	2.7
161.04544	2.5
161.06091	3.8
163.04030	5.0
163.07599	1.2
164.04807	100.0
165.01965	1.4
165.05156	3.8
165.09209	3.7
166.06400	5.0
167.03494	1.3
167.07132	1.4
168.00648	2.6
169.01443	25.4
177.01926	0.8
178.06386	1.7
179.03651	1.5
179.07147	57.9
180.07516	1.3
181.05098	3.4
181.08711	7.2
195.02946	0.7
209.08195	21.9
210.08611	1.2
211.02356	1.7
223.06227	0.9
271.04620	2.3
313.05688	10.2
315.18277	0.9
328.13138	1.0
342.00369	0.6
343.13947	18.7
344.14563	1.4
361.12753	3.4
361.29782	0.7
376.72012	0.7
453.10352	0.9
461.10788	1.0
477.23569	5.6
505.20862	35.6
506.21304	2.4
523.14661	11.2
523.21912	46.7
523.34662	2.1
524.22260	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	523.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.9
59.01382	6.5
61.98824	0.9
64.37614	0.7
69.18622	5.5
71.01396	4.2
73.02937	1.1
75.00887	1.4
78.91312	0.7
85.02962	2.2
87.00856	1.3
87.45087	0.7
87.73130	0.8
89.02462	2.6
93.03503	1.9
101.02451	3.7
108.02204	2.2
109.02943	8.1
109.03490	0.7
111.00909	2.1
113.02451	2.4
120.99659	0.8
121.02966	11.9
121.47017	0.9
122.03741	12.7
123.04552	3.6
125.02499	2.0
134.03746	2.0
135.04539	1.8
136.01718	1.3
137.02461	12.7
137.06099	1.1
137.09810	0.8
138.03230	2.6
139.04045	2.5
139.11322	0.9
147.04529	5.6
148.05359	1.1
149.06099	1.9
151.04010	2.7
153.01923	1.4
154.02748	1.1
155.10785	12.0
161.04662	1.7
161.06113	2.8
163.04088	1.4
164.04836	1.0
165.05573	23.6
167.03569	1.2
169.01443	1.9
177.05615	1.0
179.07129	8.2
181.05080	0.9
187.04025	1.4
188.04811	2.6
197.04588	3.1
199.06151	1.1
199.09726	11.0
204.69881	1.0
206.52501	1.0
209.08112	2.2
223.09749	1.6
228.04320	1.4
241.10872	1.1
243.06718	2.3
243.12392	1.8
267.06906	1.1
310.08615	2.0
311.07907	1.0
313.05603	1.1
313.10907	1.3
315.12347	2.1
325.10822	12.5
343.11847	3.8
346.14194	8.2
361.16574	100.0
362.17001	8.2
372.04538	1.0
403.15829	0.9
505.10095	1.0
505.17224	2.5
523.13696	1.2
523.20844	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	523.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49490	0.9
55.01869	1.4
57.03441	1.7
59.01382	15.1
60.24384	0.8
61.98834	46.9
67.01884	1.0
67.86462	0.8
69.03425	0.8
69.31738	3.3
69.32156	2.3
70.59837	0.9
71.01379	11.7
72.99288	1.3
73.02946	6.4
74.46486	1.0
79.01878	1.5
80.52882	0.8
83.01385	3.2
85.02949	7.6
87.00899	1.8
89.02420	2.5
93.03473	1.5
95.01387	2.5
97.02988	1.3
98.21804	1.5
99.00877	1.5
101.02459	11.7
107.01388	3.9
107.05032	1.0
109.02950	3.3
109.06548	0.9
111.00898	1.9
113.02447	5.0
119.03519	1.9
121.02988	5.8
122.13264	1.1
123.00893	9.0
123.04515	1.1
123.08166	1.0
124.01723	2.5
125.02455	17.6
129.01915	1.3
135.04532	22.6
137.02461	3.5
137.06097	3.0
139.00380	4.1
139.04010	4.0
140.01164	1.9
141.01901	1.5
146.03737	3.3
149.02454	44.2
149.06099	0.9
150.02805	1.1
151.00356	6.9
151.04002	1.5
152.01089	1.2
153.01962	3.8
158.46809	1.0
161.02483	1.4
161.04697	1.3
161.06090	5.3
163.04025	5.0
164.04803	100.0
164.45192	0.9
165.05200	3.7
165.09190	3.0
166.06367	5.4
167.03517	2.0
167.07147	2.3
168.00615	2.4
169.01440	23.1
179.03659	2.3
179.07152	50.6
180.07500	2.7
181.05096	5.0
181.08673	8.3
209.08209	12.0
211.02464	2.8
271.04617	2.6
293.06287	0.8
299.05380	1.1
313.05664	7.5
343.13986	20.2
361.12915	6.7
361.16635	1.1
365.43759	1.0
477.23380	2.9
505.20837	36.8
506.21228	2.9
523.14813	6.5
523.21838	71.3
523.34851	2.8
524.22107	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49490	0.9
55.01869	1.4
57.03441	1.7
59.01382	15.1
60.24384	0.8
61.98834	46.9
67.01884	1.0
67.86462	0.8
69.03425	0.8
69.31738	3.3
69.32156	2.3
70.59837	0.9
71.01379	11.7
72.99288	1.3
73.02946	6.4
74.46486	1.0
79.01878	1.5
80.52882	0.8
83.01385	3.2
85.02949	7.6
87.00899	1.8
89.02420	2.5
93.03473	1.5
95.01387	2.5
97.02988	1.3
98.21804	1.5
99.00877	1.5
101.02459	11.7
107.01388	3.9
107.05032	1.0
109.02950	3.3
109.06548	0.9
111.00898	1.9
113.02447	5.0
119.03519	1.9
121.02988	5.8
122.13264	1.1
123.00893	9.0
123.04515	1.1
123.08166	1.0
124.01723	2.5
125.02455	17.6
129.01915	1.3
135.04532	22.6
137.02461	3.5
137.06097	3.0
139.00380	4.1
139.04010	4.0
140.01164	1.9
141.01901	1.5
146.03737	3.3
149.02454	44.2
149.06099	0.9
150.02805	1.1
151.00356	6.9
151.04002	1.5
152.01089	1.2
153.01962	3.8
158.46809	1.0
161.02483	1.4
161.04697	1.3
161.06090	5.3
163.04025	5.0
164.04803	100.0
164.45192	0.9
165.05200	3.7
165.09190	3.0
166.06367	5.4
167.03517	2.0
167.07147	2.3
168.00615	2.4
169.01440	23.1
179.03659	2.3
179.07152	50.6
180.07500	2.7
181.05096	5.0
181.08673	8.3
209.08209	12.0
211.02464	2.8
271.04617	2.6
293.06287	0.8
299.05380	1.1
313.05664	7.5
343.13986	20.2
361.12915	6.7
361.16635	1.1
365.43759	1.0
477.23380	2.9
505.20837	36.8
506.21228	2.9
523.14813	6.5
523.21838	71.3
523.34851	2.8
524.22107	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.2
57.03437	1.3
59.01384	39.4
60.99311	1.8
69.05063	6.9
69.05470	3.2
71.01384	29.5
72.99303	2.3
73.02967	8.9
75.00858	1.5
83.01375	4.3
85.02949	12.8
87.00891	4.1
88.98798	3.2
89.02447	13.3
93.03452	2.1
95.01399	1.9
97.02976	1.6
98.21832	2.7
99.00869	3.8
101.02448	20.6
105.92510	1.2
108.02191	10.3
109.02946	11.2
111.00865	2.4
113.02455	8.0
119.03500	4.7
120.60359	1.2
121.02960	16.1
122.03768	12.4
123.00864	2.2
123.04504	4.5
124.01649	5.1
125.02457	7.0
132.72891	1.3
135.04587	2.4
135.06650	5.7
137.02446	5.6
137.06137	1.2
139.00362	1.6
139.03987	2.4
139.11299	12.4
147.04561	6.9
149.02428	1.7
149.06050	2.0
151.03996	4.5
152.01154	5.9
153.01947	5.7
154.02614	1.7
155.10800	1.3
159.03055	1.5
161.04591	2.6
161.06099	3.1
163.04031	2.5
164.04767	2.3
165.05559	22.7
166.42703	1.3
169.01427	2.8
169.05161	1.2
170.12401	1.3
179.03500	2.9
179.07132	9.3
181.12355	3.2
183.10272	16.4
195.02994	3.1
195.06598	1.6
197.04700	1.7
209.08238	1.8
225.11348	4.2
253.10712	1.5
255.05083	1.8
300.03055	1.5
313.14429	1.5
315.12646	1.9
328.13181	2.0
331.17664	3.6
343.11960	2.4
343.15509	4.2
346.14142	6.2
347.14978	3.0
361.16559	89.2
362.16702	6.6
463.21661	1.4
477.23349	5.7
505.22897	2.5
523.22382	100.0
524.22705	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	523.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05427	0.9
53.92898	1.1
57.03453	1.6
57.89542	0.9
58.00594	0.9
59.01089	1.8
59.01381	25.3
61.82535	0.9
69.01122	7.3
69.03459	0.9
69.04702	0.9
69.95814	0.8
71.01385	16.7
72.99309	1.5
73.02970	5.0
83.01382	4.2
85.02940	5.9
87.00889	4.8
88.98824	2.1
89.02439	4.3
91.61900	0.9
93.03477	1.0
98.21719	1.9
99.00904	1.9
99.92258	1.0
101.02462	12.0
108.02203	5.9
109.02962	2.6
111.00832	1.3
113.02459	6.5
119.03488	3.1
121.03001	4.6
122.03723	2.5
123.00887	1.0
123.04547	3.9
125.02451	4.3
135.04520	2.6
136.05324	2.4
136.72327	1.0
137.02472	1.9
137.09671	1.8
139.11249	3.0
147.04512	1.2
148.05275	2.3
149.02467	0.9
149.06091	3.2
151.04036	2.8
152.01085	1.7
153.01967	1.3
155.10794	9.8
161.04697	1.8
161.06088	3.5
162.06880	1.8
163.03986	1.9
164.04857	1.9
165.05528	1.7
169.01425	2.0
175.07556	1.5
179.07121	2.3
180.07919	6.7
181.08778	1.6
183.10268	3.2
192.07887	2.0
193.04974	1.1
193.08714	3.0
194.05812	1.4
195.10292	1.2
199.09755	9.9
207.10204	1.2
212.06998	1.3
228.04263	1.5
235.09676	0.9
241.10835	1.6
243.06581	1.5
244.70473	1.0
246.68355	1.0
282.53717	1.0
284.10602	1.7
297.11713	1.4
301.12970	1.9
313.10825	1.7
316.13159	1.3
317.14035	3.0
328.13129	2.7
331.15210	6.5
343.15472	4.3
361.16531	8.8
391.23309	1.9
447.74237	1.0
463.21878	4.0
477.23495	1.4
478.19159	1.4
493.20779	10.4
505.20810	9.0
523.21960	100.0
524.22375	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	523.234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17315	0.6
55.31798	0.5
57.03442	0.7
59.01378	0.7
61.98824	0.6
69.69215	1.6
69.69603	1.1
75.90733	0.5
104.22342	0.5
107.05011	0.8
109.02942	1.2
121.02952	3.4
123.00919	0.7
124.01690	1.0
135.04533	20.8
136.01682	5.9
137.02467	1.0
149.02452	45.7
150.02744	0.8
151.04024	8.5
164.04805	100.0
165.05196	3.2
179.07150	83.3
180.07426	2.9
195.64761	0.5
209.08325	1.4
219.37094	0.6
237.07677	1.1
242.50806	0.6
255.50652	0.6
310.12070	0.8
325.14737	0.7
328.13330	1.3
343.15500	11.9
425.34259	0.7
443.35434	1.0
487.34415	5.9
523.30176	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.234
Annotation	Saucerneol C
Peak:m/z	Relative Intensity
55.07333	0.8
59.01379	1.1
61.98849	1.4
63.37522	0.8
67.01897	1.9
71.28276	0.8
73.99492	1.0
95.01411	1.6
96.96032	1.0
108.02198	2.3
109.02954	2.7
111.00900	1.5
121.02949	3.8
123.00903	14.8
123.04541	3.1
124.01703	5.0
135.04544	19.1
136.01735	1.0
137.02472	1.1
138.03271	1.8
142.01701	0.8
148.05322	2.6
149.02452	44.1
150.03246	4.0
151.03973	1.5
161.06145	1.2
163.04024	2.2
163.07704	3.2
164.04810	100.0
165.05592	24.1
167.44826	0.8
179.07156	40.5
180.07520	1.0
191.07167	2.0
203.07280	1.0
311.05627	1.6
313.06137	1.0
327.12360	1.4
328.13184	5.6
329.13931	2.1
341.10382	1.8
341.14117	2.4
342.10675	1.4
342.14743	20.4
343.11859	1.0
343.15509	25.6
344.15894	1.2
399.18051	3.7
425.30811	0.9
487.34946	4.9
499.97769	1.0
505.22342	16.4
506.22729	1.6
523.23364	18.1
523.30786	1.8
524.23749	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79642	1.3
54.05330	1.1
57.03449	3.5
58.58870	1.3
59.01382	44.4
68.99714	12.5
71.01385	16.6
72.99310	2.1
73.02938	5.6
75.00852	1.6
76.82055	1.2
81.03442	1.7
83.01373	1.5
83.28531	1.2
85.02960	7.0
87.00880	3.8
87.04514	2.7
89.02444	8.7
89.58536	1.2
93.03470	1.1
95.01403	1.7
96.74127	1.2
97.02936	2.6
97.80240	1.3
99.00875	1.8
100.83500	1.4
101.02432	10.4
107.05046	1.5
108.02179	54.0
109.02996	13.2
109.14667	1.2
113.02429	5.9
115.69567	1.2
119.03476	2.6
121.02979	4.0
123.00900	2.5
123.04524	31.3
124.01633	1.5
125.02426	6.4
130.57881	1.3
135.06639	5.9
137.02440	3.3
137.09694	5.5
139.04015	2.0
139.11299	33.6
140.11665	1.7
148.05307	2.2
149.02504	1.6
149.06047	5.0
151.03987	4.1
152.01170	11.7
153.01897	4.1
155.10777	22.5
161.04593	3.1
162.03223	1.7
163.03995	4.0
163.07594	1.8
163.11285	1.8
164.04794	2.4
165.09181	1.7
169.01390	3.5
169.12314	1.5
177.05612	8.2
179.03462	4.4
179.10767	1.7
180.30824	1.2
181.05072	4.7
181.08702	2.4
181.12347	9.1
182.05806	1.8
183.06705	6.0
183.10263	39.4
191.03539	7.2
191.07129	4.4
193.05029	5.2
199.09790	15.6
199.13324	1.5
211.02458	3.4
219.06633	40.1
219.60010	1.4
220.06905	1.7
225.11285	11.3
237.07690	6.9
241.10738	3.0
243.12346	4.2
253.10794	2.1
271.04526	6.7
279.10727	1.7
297.11856	2.4
301.12866	3.6
302.11832	1.5
315.07272	1.3
317.13953	6.2
331.17502	2.3
340.76559	1.2
343.11780	11.4
361.12656	23.1
371.09888	3.1
399.12793	4.5
431.97037	1.4
433.16846	1.3
463.21799	4.4
505.22891	5.6
518.87201	1.3
523.18097	19.2
523.23877	100.0
524.24762	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	523.268
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	20.7
69.19678	28.8
69.20087	100.0
89.24866	19.2
112.55270	18.8
122.70545	18.0
133.80086	16.3
149.88881	16.6
165.82890	19.5
197.68814	15.2
353.93176	20.0
355.96240	18.8
356.68073	17.7
439.18201	18.5
487.35089	84.7
523.31183	75.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29847	5.4
59.28590	6.2
71.29318	8.9
76.05359	5.8
155.37271	5.6
161.02519	10.1
210.83836	5.3
220.96368	5.4
223.88548	5.4
251.20088	6.3
287.50204	7.8
335.72635	6.5
414.03650	6.6
469.33197	12.0
485.33267	18.0
487.34576	100.0
488.34827	9.4
523.30750	39.5
524.31769	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15146	9.0
61.98819	20.6
62.60035	9.1
70.78351	20.0
83.96695	9.9
96.96011	12.0
113.47723	10.6
160.53226	10.1
161.02425	22.7
164.04808	26.8
176.57874	8.7
177.09366	10.1
179.07129	21.4
191.52353	8.1
195.34517	8.0
303.94864	10.5
487.34680	100.0
523.28931	15.3
530.71600	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	523.3201
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47171	1.2
54.13195	1.5
55.49909	1.2
59.01369	3.8
59.06013	1.4
61.19181	1.3
61.98821	2.6
84.83480	1.4
85.02941	5.9
92.65031	1.5
164.04797	3.1
179.07077	2.6
190.61894	1.4
245.29353	1.5
293.44479	1.5
294.25208	1.7
322.76154	1.6
365.56808	1.6
369.28159	1.5
373.15591	1.5
411.32788	5.2
443.58899	1.5
455.32169	3.0
479.31476	26.5
480.31937	3.2
487.34662	2.5
523.30432	100.0
524.30524	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40905	6.6
61.42341	6.0
69.65769	24.5
69.66182	10.8
79.38847	6.8
88.80807	8.0
112.96279	7.7
129.40237	7.2
145.85692	6.5
160.93283	6.9
208.90013	7.9
269.94556	7.2
487.34268	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	523.32
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	2.3
69.24474	11.7
75.13309	1.8
120.82226	1.7
391.93475	2.4
443.34976	3.2
487.34421	100.0
488.34589	10.6
523.30371	29.8
524.30310	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	523.325
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.5
59.01382	0.8
61.98830	0.9
67.68242	0.4
71.01399	0.9
72.50235	0.4
75.91611	0.4
79.41341	0.4
85.02924	0.4
94.25073	0.4
96.96003	0.5
97.06591	1.0
111.04565	0.5
118.16181	0.4
123.08170	1.8
125.02412	0.5
125.09756	3.9
127.11296	1.1
135.04558	0.7
141.09238	5.4
143.10779	0.8
149.02460	1.2
155.10823	0.7
157.12373	1.3
163.07507	0.7
164.04817	1.7
165.09058	1.0
169.01474	0.5
171.10257	1.0
179.07085	1.5
181.08519	3.3
183.06558	0.7
183.10034	1.5
191.06934	7.2
193.08484	14.8
194.08841	0.6
195.06619	0.9
195.10062	0.6
209.07974	21.3
210.08316	0.6
222.08801	2.4
223.09454	1.0
225.07527	1.6
228.17128	0.5
286.94690	0.5
313.23892	1.5
319.18747	0.6
331.24896	6.2
333.20490	1.5
349.20032	1.9
351.21512	3.5
353.23019	4.3
363.76035	0.4
425.30545	0.8
454.69205	0.5
469.33218	1.4
470.33432	0.4
487.35107	0.9
505.31363	2.7
523.32526	100.0
524.32825	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	523.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03467	0.4
59.01382	100.0
60.01725	0.7
61.98835	3.5
67.48221	0.4
69.08718	3.9
69.92271	0.4
71.01389	1.7
72.99361	0.5
73.02950	0.6
81.03496	0.6
83.01435	0.5
83.05071	0.5
85.02980	0.8
87.00886	0.4
87.04514	0.9
89.02451	0.7
93.03481	0.5
94.71296	0.4
95.01427	0.5
95.05054	0.6
97.02985	0.5
101.02438	0.8
107.01434	0.5
108.02203	2.0
109.02964	1.3
109.06643	0.5
111.04523	0.7
113.61520	0.5
123.00924	1.0
123.04541	2.1
125.02460	4.8
134.03775	0.5
135.04584	0.7
137.02502	1.3
138.03255	0.8
139.00357	0.6
139.04050	2.2
151.00429	0.8
151.04054	1.0
163.04166	0.5
164.04863	2.0
165.05431	1.0
165.09235	2.6
166.05389	0.5
167.03545	0.6
169.01450	5.6
177.05688	0.8
179.07317	0.8
189.05466	0.5
193.08766	1.0
194.02298	0.6
195.06665	1.2
209.08194	12.1
210.08617	0.6
228.84894	0.5
291.15961	0.8
299.09537	0.7
313.05768	3.1
335.27927	0.6
351.27158	1.2
361.20462	1.7
363.27286	0.6
381.13751	0.8
383.29633	8.1
408.70468	0.5
461.32718	2.3
463.34329	38.2
464.34427	3.5
523.14624	5.6
523.21521	0.7
523.35034	2.4
524.14899	0.6
524.33728	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.0
59.01386	33.2
61.98836	25.4
69.28111	14.9
71.01391	26.6
73.02951	7.9
75.00877	3.6
76.98050	2.1
81.03480	2.1
83.01398	6.4
83.05005	3.7
85.02966	11.2
87.04533	2.9
89.02460	9.4
95.01430	2.6
95.05083	3.8
98.65339	2.1
101.02469	15.9
107.01410	2.7
108.02196	5.1
108.88540	2.2
109.02990	6.9
111.00900	2.6
113.02489	10.6
113.03184	2.3
121.02959	9.8
125.02467	9.0
126.02791	2.6
135.04524	2.4
137.02475	6.7
137.06105	29.1
139.04018	3.4
139.11304	6.5
149.02516	2.1
153.01910	3.9
161.04565	5.1
163.07574	2.8
164.04730	2.4
165.01953	9.4
165.09222	3.6
167.07097	4.9
169.01434	10.4
170.01758	5.0
177.01988	2.4
183.10283	10.0
193.01434	3.6
209.08217	9.5
210.08565	7.4
225.11331	4.3
243.12479	5.4
257.04529	6.7
269.04660	14.8
271.04745	3.3
276.01834	2.1
285.04050	30.9
292.40457	2.4
313.05630	3.6
314.04297	70.5
315.05084	61.2
316.05539	2.4
359.97586	2.2
361.29636	5.8
362.29901	4.9
375.27707	10.7
376.28195	10.2
461.10898	100.0
462.11209	6.1
523.35114	22.6
524.14966	7.8
524.22125	7.6
524.35522	25.3
524.85834	2.8
525.23669	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.105
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.1
61.03123	0.3
61.98835	100.0
67.78867	0.3
69.05676	1.5
69.06102	0.8
71.01389	0.9
73.02950	0.4
87.00896	0.3
88.98828	0.8
89.02457	0.4
95.01428	0.2
98.72791	0.2
98.77231	0.2
101.02472	0.7
107.01435	0.3
109.03007	0.5
113.02524	0.4
123.00903	1.7
124.01678	1.0
125.02451	1.7
126.02859	0.5
135.04472	0.3
137.02496	0.3
139.00452	0.6
139.04102	0.7
151.00436	1.1
152.00984	0.3
169.01430	1.8
170.01801	0.7
181.05093	0.4
192.78343	0.3
284.03348	1.2
299.05560	1.3
362.13205	0.4
523.22003	0.7
524.14667	0.5
524.22284	9.1
525.20868	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.105
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.1
61.98834	100.0
69.46223	1.2
70.48257	0.2
71.01397	0.9
73.02950	0.4
85.02969	0.5
88.98835	0.8
89.02471	0.4
95.01424	0.2
96.76598	0.2
98.21835	0.5
101.02470	0.7
107.01414	0.3
111.00909	0.3
113.02438	0.2
123.00124	0.2
123.00885	1.1
124.01665	0.7
125.02458	1.7
126.02802	0.4
136.01717	0.2
137.02509	0.5
139.00392	0.4
139.04074	0.8
151.00450	0.8
152.00888	0.2
153.01958	0.4
164.04858	0.4
165.05310	0.2
168.00659	0.4
169.01398	1.4
170.01776	0.4
177.55481	0.2
199.69366	0.2
209.06374	0.2
256.03830	0.2
271.04688	0.3
272.04758	0.2
284.03241	1.7
292.49835	0.2
299.05615	1.1
313.05716	0.3
361.12985	0.2
523.22034	0.4
524.22351	7.0
525.20874	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.4
59.01383	2.1
61.98835	100.0
62.24545	0.4
70.11803	1.1
71.01400	1.1
73.02953	0.6
77.57671	0.4
79.25535	0.4
81.03517	0.4
83.01379	0.5
87.04549	0.4
97.02969	0.4
98.21861	0.4
101.02484	1.3
107.05026	2.2
108.02225	1.1
109.03022	0.6
119.05066	2.5
121.06562	0.3
123.00919	0.8
123.04604	0.7
125.02473	5.0
125.06095	0.5
126.02769	1.8
126.06463	0.4
137.06068	3.8
138.01997	1.9
139.11340	0.7
141.36166	0.4
148.05238	0.4
151.00409	0.8
165.09238	2.2
166.09612	1.0
168.00694	0.9
169.01453	3.8
169.02684	0.4
170.01837	1.7
183.10388	1.4
184.47527	0.4
209.08192	5.0
210.08525	3.5
243.12416	0.5
268.07480	0.8
269.17767	0.4
270.18188	0.6
283.09869	1.0
299.09445	0.5
313.05637	1.8
314.06113	2.0
330.49860	0.4
524.14728	7.2
524.35785	0.5
525.23993	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	525.0448
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	3.2
59.01382	18.0
61.98819	3.5
63.32590	1.4
65.00324	1.9
68.99800	1.8
69.02316	10.1
69.03436	1.6
71.01395	10.0
73.02936	3.9
75.90247	1.6
80.79204	1.2
83.01392	4.7
85.02957	6.3
87.00890	4.3
88.98813	4.6
89.02481	1.7
93.03459	2.9
95.01399	4.5
95.05036	2.3
96.59869	1.4
97.02971	1.9
99.04559	2.1
99.94537	1.2
101.02471	7.0
107.01427	2.0
109.02953	4.5
111.00877	2.5
112.98796	1.9
113.02435	7.0
121.02991	6.6
123.00904	21.8
124.01680	74.6
125.02476	17.5
127.00385	3.3
135.08145	3.8
136.98816	2.4
137.02455	21.7
137.09746	12.4
137.99632	3.3
138.03247	3.0
139.00385	5.8
139.04019	41.8
151.00539	1.4
153.01950	47.5
153.05589	6.8
154.02594	1.6
155.03499	3.3
156.02180	4.3
159.03116	1.4
159.04572	2.0
160.01678	2.2
161.04561	5.1
161.09692	3.7
163.07675	14.7
166.99843	5.5
167.03542	1.3
168.00612	4.6
168.04295	43.6
169.01501	3.4
172.01617	1.6
179.03523	1.5
179.10786	5.0
181.01450	7.8
181.08704	13.9
182.02223	10.9
183.03038	7.7
183.06641	13.0
184.01645	2.6
196.03836	1.7
197.04567	28.3
197.11891	2.3
200.01186	4.2
211.02518	2.2
212.01151	3.7
223.09848	6.6
225.03883	1.6
228.00749	3.4
240.00661	7.8
243.06610	4.4
256.00259	1.8
281.06891	2.4
283.99588	8.3
309.11325	2.4
311.99124	73.3
312.99734	7.0
319.06113	1.4
326.06595	7.5
327.01483	100.0
328.01883	5.4
341.08798	75.3
342.09167	3.2
395.33676	1.5
398.98398	1.3
475.05185	2.7
495.11624	1.9
507.18805	2.5
510.13748	3.8
525.20770	55.7
526.19592	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	525.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43850	2.9
57.07181	3.0
59.01390	6.8
61.98841	16.9
69.00961	30.3
71.01394	6.4
73.02966	3.4
75.56412	3.4
80.21845	3.5
81.03444	3.1
82.54790	3.2
82.95419	19.8
85.02997	3.0
92.07125	3.1
108.02178	4.4
109.02959	4.7
125.02488	3.8
129.30446	2.9
137.02452	4.7
151.07645	5.7
161.97578	3.4
163.04045	4.5
195.06664	38.2
209.08206	6.4
269.04529	27.9
297.04059	23.1
298.04654	5.5
312.06421	54.6
313.07077	19.1
327.08737	100.0
328.08969	4.4
465.27191	5.9
475.12534	7.8
525.23840	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	525.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06062	0.7
59.01391	5.7
60.54785	0.8
65.79273	0.7
69.01137	4.3
69.01549	2.0
69.03474	3.9
70.16898	0.7
71.01372	3.3
73.01616	0.6
73.10977	0.7
73.80112	0.6
79.01884	0.9
81.03452	1.9
83.01383	2.0
85.02964	1.5
88.98814	1.2
89.02457	2.0
93.03438	1.8
95.01408	3.6
95.05022	0.8
97.02958	4.5
101.02439	2.1
107.01379	3.0
108.02186	1.3
109.02955	1.3
113.02457	1.2
121.02966	1.0
123.00898	14.5
123.04505	0.8
124.01669	23.6
125.02461	57.5
126.02785	1.1
135.04587	0.9
137.02466	8.2
139.00359	2.3
139.03951	1.1
147.04538	3.4
149.02423	0.8
149.99594	37.3
151.00395	4.5
151.04001	0.9
153.01904	3.0
153.05627	4.0
159.04538	3.5
163.03908	0.7
164.04688	0.7
166.99811	1.5
168.00661	54.3
169.01430	10.1
171.04472	0.7
173.06110	1.2
175.07764	1.2
179.03474	1.5
179.07059	0.7
187.03986	0.8
193.12344	1.3
195.07903	0.9
197.04568	1.8
201.05603	1.7
204.66473	0.7
211.06116	3.6
211.13429	1.9
225.05440	0.9
225.60771	0.7
227.03235	0.9
243.06635	21.5
244.06755	0.7
264.89001	0.8
267.06711	1.6
281.06613	6.1
295.06073	0.9
311.99142	5.7
313.05609	2.2
313.10855	0.8
319.05884	1.1
327.01447	7.3
341.08310	0.8
345.16858	0.7
363.18143	1.7
373.06876	3.4
373.18686	4.1
387.16821	0.8
467.07458	2.3
507.11078	2.7
507.18118	1.2
525.12329	100.0
525.19861	26.0
526.12592	6.5
526.19843	1.4
527.54181	0.7
533.28833	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06062	0.7
59.01391	5.7
60.54785	0.8
65.79273	0.7
69.01137	4.3
69.01549	2.0
69.03474	3.9
70.16898	0.7
71.01372	3.3
73.01616	0.6
73.10977	0.7
73.80112	0.6
79.01884	0.9
81.03452	1.9
83.01383	2.0
85.02964	1.5
88.98814	1.2
89.02457	2.0
93.03438	1.8
95.01408	3.6
95.05022	0.8
97.02958	4.5
101.02439	2.1
107.01379	3.0
108.02186	1.3
109.02955	1.3
113.02457	1.2
121.02966	1.0
123.00898	14.5
123.04505	0.8
124.01669	23.6
125.02461	57.5
126.02785	1.1
135.04587	0.9
137.02466	8.2
139.00359	2.3
139.03951	1.1
147.04538	3.4
149.02423	0.8
149.99594	37.3
151.00395	4.5
151.04001	0.9
153.01904	3.0
153.05627	4.0
159.04538	3.5
163.03908	0.7
164.04688	0.7
166.99811	1.5
168.00661	54.3
169.01430	10.1
171.04472	0.7
173.06110	1.2
175.07764	1.2
179.03474	1.5
179.07059	0.7
187.03986	0.8
193.12344	1.3
195.07903	0.9
197.04568	1.8
201.05603	1.7
204.66473	0.7
211.06116	3.6
211.13429	1.9
225.05440	0.9
225.60771	0.7
227.03235	0.9
243.06635	21.5
244.06755	0.7
264.89001	0.8
267.06711	1.6
281.06613	6.1
295.06073	0.9
311.99142	5.7
313.05609	2.2
313.10855	0.8
319.05884	1.1
327.01447	7.3
341.08310	0.8
345.16858	0.7
363.18143	1.7
373.06876	3.4
373.18686	4.1
387.16821	0.8
467.07458	2.3
507.11078	2.7
507.18118	1.2
525.12329	100.0
525.19861	26.0
526.12592	6.5
526.19843	1.4
527.54181	0.7
533.28833	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	8.8
61.98807	2.7
62.81233	0.8
63.91825	1.0
66.81236	1.0
67.01884	2.5
69.00359	5.0
69.00780	3.0
71.01035	1.0
71.01390	10.9
72.99316	2.0
79.01891	3.1
80.02673	1.2
83.01353	1.2
85.02945	2.2
87.30499	0.9
88.98811	1.8
89.02456	2.7
93.03477	1.5
95.01379	4.9
96.96017	4.4
97.02966	4.0
99.00890	1.4
101.02425	3.5
103.05544	3.6
106.04183	1.0
107.01408	12.3
108.02175	1.3
109.02974	5.7
109.06564	1.6
111.00842	2.4
113.02434	3.0
120.99651	3.7
121.02908	2.2
121.06589	3.4
123.00897	38.6
123.04491	2.7
124.01671	1.5
125.01536	2.0
125.02456	42.2
133.10207	3.0
135.04510	1.2
136.98756	1.7
137.02440	5.3
138.03183	1.6
139.00383	10.3
139.04030	3.4
140.01140	2.9
141.01932	5.7
149.02438	1.3
150.99188	1.8
151.00374	25.4
151.03937	1.5
152.01070	0.9
153.01936	10.7
153.04474	1.7
153.05594	19.2
153.09216	9.5
155.03528	0.9
165.01944	2.6
165.05577	4.0
167.03526	3.1
167.10771	3.2
168.00638	3.9
168.04237	1.4
169.01439	75.1
170.01768	1.8
177.01993	1.3
180.00705	1.9
181.01428	1.7
181.05042	1.5
183.03027	6.4
193.01447	4.0
195.02986	5.4
195.10236	4.9
196.03700	1.8
197.04523	2.0
197.08183	8.6
209.04521	12.0
210.05324	4.4
211.02538	15.3
211.06116	23.0
225.04182	1.8
225.07652	12.3
227.03331	1.4
239.05688	1.0
239.09248	1.2
243.06581	2.7
253.03552	2.0
253.07179	1.5
269.10526	1.2
299.11282	4.1
299.98993	1.5
313.05603	9.8
345.16977	1.4
359.13400	1.1
363.18146	2.4
387.16797	1.3
391.11249	1.1
413.59579	1.0
440.11255	2.3
465.10291	3.3
525.12500	100.0
525.21729	5.9
526.12677	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	525.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54475	1.7
59.01371	12.3
61.98829	5.4
69.03445	2.3
71.01387	18.3
71.29202	2.0
72.99313	9.8
73.02953	4.6
79.01949	1.8
80.45256	2.1
82.81971	1.7
83.01427	2.6
85.02967	5.4
87.00874	3.3
89.02455	5.6
93.03461	29.6
95.01402	4.2
97.02974	2.5
101.02464	9.8
107.01385	5.4
108.02186	5.0
109.02961	4.6
111.00883	4.6
113.02490	5.6
120.99655	2.7
121.02993	3.2
123.00906	11.8
123.04523	7.7
125.02458	49.2
134.03766	12.3
137.02467	46.0
137.03520	2.3
138.03232	2.3
139.00420	3.3
139.04012	2.1
149.06110	3.1
150.03221	8.1
151.00381	6.6
151.03999	3.7
153.01918	3.9
153.05624	2.4
164.04832	2.9
165.01927	36.8
165.05573	9.3
166.02646	3.0
167.03471	3.8
168.00676	3.8
169.01436	56.3
177.02069	2.0
178.02757	4.9
179.03575	2.9
180.04301	27.0
181.05075	8.3
183.06569	2.8
193.05081	17.3
195.06650	43.2
196.06975	3.3
197.04366	1.9
211.02547	3.9
211.06122	47.1
212.06538	2.0
271.04453	2.8
281.06677	59.6
282.06982	3.2
289.11475	2.2
301.00406	1.9
313.05753	18.5
320.13025	2.1
363.10413	2.6
365.93384	2.2
373.11395	10.5
479.11862	4.2
507.11166	9.4
525.11890	100.0
526.13251	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	525.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97318	0.9
56.28522	0.8
59.01370	1.6
67.01888	2.0
69.03426	1.7
69.14469	7.2
70.51348	0.9
70.99539	1.0
71.01397	5.7
79.01897	1.3
81.03455	1.3
82.15484	1.0
83.01427	1.5
85.02942	1.4
87.00851	1.0
95.01404	2.4
96.50090	0.8
97.02945	2.3
101.02444	1.9
102.71332	0.9
107.01400	14.5
109.02969	2.6
111.00883	6.7
113.02437	1.3
122.03712	1.4
123.00893	13.7
123.04518	1.1
124.01669	3.4
125.02457	70.4
126.02807	2.7
134.03697	1.3
136.98830	3.5
137.02444	9.5
138.03233	3.5
139.00377	8.6
139.04018	3.2
140.01181	9.8
146.03708	1.7
149.02417	1.6
149.06058	1.1
150.03233	2.4
151.00391	7.6
151.04018	1.8
152.01143	2.6
152.04799	7.1
153.01950	2.6
153.05576	3.9
154.39629	0.9
161.02409	1.4
161.05977	1.3
164.01175	1.3
164.04840	1.1
165.05605	4.4
166.06375	1.0
167.03513	6.6
167.07152	13.4
168.00644	8.8
169.01437	82.8
170.01765	1.7
177.01941	2.3
179.03575	1.0
179.07143	5.1
183.03059	4.5
193.01463	1.0
195.06558	1.4
211.02524	3.2
211.37390	0.8
212.67300	0.9
224.72639	1.0
235.70898	1.0
241.03439	1.5
243.02951	1.4
271.04944	0.9
297.06223	5.3
300.99969	1.8
313.05695	20.5
315.12427	1.5
327.07208	4.1
331.35693	1.0
345.13394	1.5
363.10580	1.5
363.14755	1.9
481.13583	100.0
482.14066	6.4
495.14844	2.5
507.11353	6.0
525.12549	35.2
526.13086	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	525.1406
Annotation	Viscutin 1
Peak:m/z	Relative Intensity
54.38008	0.2
59.01382	0.6
61.37920	0.2
61.98837	3.3
64.77984	0.2
65.03965	0.4
69.39503	0.5
69.39916	1.1
71.01373	0.3
74.99708	0.2
75.24045	0.2
75.79961	0.2
93.03461	51.7
94.03806	0.8
98.22540	0.5
107.05045	0.6
109.02939	0.3
115.05570	0.3
121.02993	0.4
123.04523	0.4
125.02462	1.4
131.05063	0.3
133.02971	0.3
134.03842	0.3
135.04510	0.7
137.02452	100.0
138.02031	0.3
138.02831	2.1
143.04991	0.4
145.02876	0.3
148.05315	0.5
149.06108	0.3
153.01945	0.9
157.06593	0.6
158.03790	0.3
159.04521	7.0
161.02463	0.7
164.04759	0.4
168.00572	0.3
168.04271	0.7
169.01393	1.6
172.05328	0.5
173.06082	1.5
175.07654	2.0
177.05556	0.3
181.06599	0.3
181.08734	0.3
183.04607	0.6
183.06552	0.4
185.06053	0.5
185.97708	0.3
197.06041	0.4
199.07651	2.1
200.04764	0.6
201.05562	6.5
225.05565	1.7
241.05074	0.3
243.06619	49.0
244.07030	2.5
247.82780	0.3
267.06812	0.3
268.07379	0.5
269.08145	0.2
281.06708	1.2
283.09720	0.9
284.10486	0.4
372.93640	0.3
387.11124	0.3
525.22827	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	525.141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21466	0.4
52.99131	0.4
53.36212	0.4
59.01373	1.6
66.47049	0.4
69.24893	1.1
69.25298	1.2
71.01390	3.3
73.02948	0.7
77.05463	0.4
81.03465	0.8
83.01402	1.1
85.02959	1.2
88.98743	0.5
93.03462	6.9
95.01388	0.7
97.02956	0.8
99.00911	0.6
101.02441	2.0
107.01360	0.5
107.05059	0.6
109.02916	0.9
113.02448	1.0
121.02956	1.1
123.00879	1.9
124.01670	4.8
125.02454	7.5
125.63389	0.5
133.02962	0.6
135.04500	0.8
136.01668	0.6
137.02458	15.6
137.09763	0.7
139.00433	0.6
139.04019	2.2
141.07161	0.5
143.05035	0.7
149.99597	2.1
153.01976	3.5
153.05588	0.7
157.06624	1.2
159.04530	11.3
161.02452	0.9
161.04536	0.8
166.99811	0.8
168.00636	4.2
168.04288	3.0
169.01463	3.2
171.04601	0.5
171.08168	0.5
172.05353	0.6
172.65172	0.4
173.06107	2.7
175.07674	3.7
179.03546	0.5
179.10800	0.5
181.01393	0.7
182.02197	0.8
183.06706	0.8
184.01581	0.6
185.06023	1.0
197.04517	1.9
199.07683	3.3
200.01132	0.5
200.04811	0.6
201.05579	11.9
225.05592	2.8
228.04254	0.6
240.00688	1.7
241.05113	0.8
243.06622	100.0
244.06958	5.1
281.06683	28.7
281.08987	0.7
282.06995	0.8
283.99701	0.6
289.48929	0.4
294.09064	0.8
297.11404	1.6
309.11322	1.9
311.99136	10.4
312.99557	1.1
315.15631	0.5
327.01465	13.5
328.01736	0.6
341.08749	4.2
345.17224	0.6
363.18143	1.2
461.31308	0.5
489.17914	0.6
510.13690	0.6
525.12634	8.6
526.13538	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05743	0.8
53.03526	0.8
56.47134	0.7
57.03431	0.8
57.24094	0.7
59.01387	5.0
60.64077	0.7
61.98824	0.8
67.01897	2.0
68.44508	0.7
69.03452	1.6
69.22059	5.4
71.01379	5.3
73.02933	0.8
79.01876	1.3
81.03444	0.8
83.01402	1.6
85.02946	1.9
87.70686	1.0
89.02437	2.4
95.01395	2.7
97.02974	1.6
99.73618	0.7
101.02477	2.5
107.01383	10.7
108.01594	0.8
109.02957	2.0
110.00065	0.7
111.00877	3.5
113.02425	1.7
119.03514	0.7
121.02957	1.5
121.08315	0.7
122.03764	0.7
123.00900	13.2
123.04539	2.7
124.01670	7.7
125.02459	63.3
126.02789	1.8
127.00379	1.5
134.03775	1.1
135.04532	0.9
136.81305	0.9
136.98851	2.2
137.02466	10.0
138.03252	3.1
139.00406	5.7
139.04016	5.6
140.01187	3.9
141.01921	1.4
146.03755	6.2
148.10394	0.7
149.02557	0.9
149.06117	0.7
151.00380	6.9
152.01151	1.5
152.04750	0.8
153.01929	1.5
153.05606	1.1
154.54161	0.7
161.04936	0.7
161.06076	4.5
162.03253	0.7
165.05594	1.6
166.06371	2.1
167.03513	5.0
167.07152	7.8
168.00652	7.2
169.01434	70.7
170.01810	1.8
175.04121	0.9
175.86069	0.8
177.01941	1.7
179.03647	1.2
179.05702	1.1
179.07172	2.5
179.35516	0.7
181.05075	4.1
182.05887	1.5
183.03052	3.5
183.06628	1.6
195.06592	0.7
196.07375	10.4
197.08139	3.9
211.02498	1.2
211.09843	2.9
221.08270	1.2
229.98906	0.9
241.03473	1.4
241.07162	3.6
253.03453	0.7
297.06216	2.9
301.00052	1.0
311.07599	1.8
313.05661	21.0
327.07196	3.1
327.12421	6.9
363.14844	1.3
400.88507	0.8
415.82370	0.8
451.12640	4.6
525.16180	100.0
526.16388	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58989	0.7
59.01388	10.1
61.84183	0.8
65.00334	1.2
66.76636	0.9
69.32542	5.0
71.01385	7.0
72.99297	1.0
73.02944	1.4
79.01856	1.0
81.03490	1.4
83.01389	1.6
85.02954	1.8
88.19624	0.8
89.02431	4.5
93.03464	0.8
93.99598	0.8
95.01392	2.4
97.02946	1.5
98.21856	1.8
100.30202	1.0
101.02454	4.5
107.01383	5.2
107.05058	0.9
109.02948	3.2
110.00107	1.4
111.00898	3.5
113.02447	2.6
119.03472	1.6
121.02976	9.4
122.00110	1.1
122.03780	4.1
123.00896	12.5
123.04544	2.6
124.01679	3.7
124.44428	0.7
125.01546	1.4
125.02462	22.8
127.00375	1.9
135.04578	2.0
136.98891	1.5
137.02463	9.8
138.03247	6.4
139.00354	4.1
139.03992	4.3
140.01140	3.5
141.01923	1.4
147.04507	1.4
149.09691	1.3
150.03246	2.0
151.00400	6.6
151.04015	3.0
152.01134	1.5
153.01942	6.1
153.05573	9.7
154.02759	1.3
155.03445	1.6
161.02457	1.2
161.90611	0.9
162.03098	0.8
163.04041	1.4
164.04797	2.3
165.05589	5.9
166.05945	2.9
166.99832	3.0
167.03508	5.3
167.05901	1.6
167.06252	1.1
167.07207	8.2
168.00645	6.7
168.04286	6.3
169.00008	1.4
169.01434	22.0
169.05093	1.3
175.03979	0.8
177.01976	1.6
178.06444	1.2
179.07191	2.9
180.07529	1.0
181.01428	3.2
181.05070	11.2
181.07530	0.8
182.02261	8.3
182.05782	6.1
183.03067	5.0
183.06642	20.6
193.05070	0.8
195.06660	2.0
196.03777	1.4
197.04565	10.1
197.07626	0.8
211.02541	6.8
213.07666	2.0
225.04073	2.4
231.97638	0.8
251.05818	0.9
262.41736	0.8
271.04581	6.3
285.06174	0.9
300.99979	1.0
311.07819	3.6
313.05826	3.0
341.08810	13.2
344.11392	1.3
345.13345	2.0
346.14319	1.0
348.14828	2.1
359.13388	1.1
361.16608	6.9
362.16968	10.1
363.17242	23.3
373.15225	4.6
439.08749	2.1
465.14099	1.2
481.10004	1.1
507.10919	1.8
525.16193	100.0
526.16461	7.4
546.55182	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00490	0.7
59.01389	6.5
67.01889	0.9
68.80616	0.7
69.05738	5.2
71.01385	6.8
73.02944	1.1
76.24138	0.7
79.01906	1.3
83.01388	2.2
85.02948	1.7
87.00878	0.8
89.02441	2.9
95.01369	2.1
97.02949	1.1
100.12292	0.7
101.02435	2.9
107.00732	1.3
107.01402	9.8
108.02168	0.9
111.00870	3.6
113.02447	2.7
119.03484	1.2
121.02957	1.7
122.03770	1.3
123.00867	7.6
123.04503	0.9
124.01698	2.0
125.02454	48.0
127.00349	1.6
134.03754	6.3
135.04494	0.9
136.98820	2.0
137.02435	2.7
139.00403	4.9
139.04028	1.5
140.01192	5.7
141.01906	1.1
143.03461	0.9
146.03746	6.8
147.04514	1.8
149.06087	7.8
150.03241	1.6
151.00365	5.0
151.04027	0.9
153.01974	0.7
153.05484	0.8
161.04692	1.0
161.06044	3.6
164.04744	4.7
165.05563	4.8
166.06322	1.0
167.03410	0.8
167.07150	11.5
168.00650	5.7
169.01431	63.4
170.01750	1.0
177.01924	1.3
179.03563	0.8
179.05664	1.8
179.07144	17.3
181.05086	9.0
182.05782	3.5
183.02979	3.5
183.06670	1.0
196.07417	7.8
197.08208	3.3
211.02470	0.9
211.09760	2.9
221.08160	0.9
241.03452	1.0
297.06253	2.5
313.05655	15.6
315.12430	1.8
327.07239	2.7
327.12619	0.9
329.12442	4.3
383.13641	2.6
465.22855	0.8
477.17694	1.6
489.17630	2.1
525.16150	100.0
526.16425	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	525.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09219	0.6
52.09656	0.8
59.01388	6.4
61.06620	0.7
67.01888	2.0
69.03461	0.8
69.69666	0.8
71.01384	4.9
71.29602	1.6
72.99327	1.3
73.02966	1.0
76.18282	0.8
79.01888	1.3
83.01407	1.3
85.02946	1.4
87.00857	0.8
88.10268	0.7
89.02451	2.8
95.01385	2.7
97.02982	0.9
101.02451	2.9
107.01393	4.2
109.02957	1.8
111.00894	2.6
113.02464	1.9
116.92936	1.0
119.03506	0.8
120.99633	0.7
121.02951	1.3
123.00893	13.8
123.04541	1.0
124.01685	2.1
125.02451	15.6
127.00346	1.5
136.01588	0.7
136.98828	2.2
137.02467	1.6
138.03203	1.0
139.00385	5.6
139.03979	1.6
140.01181	4.8
141.01958	0.9
143.59502	0.7
147.63713	0.9
150.03300	0.8
151.00404	6.0
152.01176	0.8
153.01903	1.2
153.05573	1.0
163.04030	1.3
164.04858	0.8
165.05579	1.3
166.99838	1.2
168.00658	7.3
169.01434	19.6
179.07144	1.7
183.03001	7.3
183.06645	0.9
197.04562	1.3
211.02484	8.2
225.04005	4.7
239.05705	1.3
270.98813	1.4
271.04623	8.7
285.06216	1.5
286.01306	1.1
315.12430	6.5
359.13342	1.9
437.09198	0.9
477.17392	1.3
493.06250	1.2
525.16223	100.0
526.16498	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	525.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.4
57.03447	0.4
59.01387	7.9
65.00328	0.8
66.19206	0.3
67.01891	1.9
68.99835	0.6
69.03450	0.6
71.01382	4.9
72.99287	1.2
73.02950	0.5
79.01888	0.8
82.95442	0.6
83.01399	1.2
85.02953	1.5
86.63802	0.4
87.00864	0.9
88.98778	0.4
89.02446	3.5
95.01385	2.9
96.95997	0.7
97.02953	0.7
99.00905	0.6
101.02461	3.1
107.01399	5.4
108.02185	0.6
109.02946	1.0
111.00897	3.6
113.02427	1.7
119.03498	0.8
121.02950	0.9
123.00895	15.0
123.04485	0.9
124.01682	2.2
125.02459	19.2
127.00386	1.0
135.04535	0.7
136.98807	2.1
137.02443	1.7
138.03250	0.9
139.00380	6.0
139.04048	2.3
140.01163	5.2
141.01953	1.4
149.02452	0.3
150.03212	0.7
151.00374	7.0
151.03967	0.7
152.01196	0.7
153.01926	1.3
153.05588	0.8
161.02493	0.4
163.04031	1.2
164.04778	1.7
165.02013	0.7
165.05568	1.2
166.02715	0.5
166.99840	1.1
167.03505	0.8
168.00670	8.3
169.01440	21.0
170.01889	0.6
178.06395	1.0
179.03493	0.5
179.07097	1.8
181.05009	0.9
182.02182	0.5
183.03020	6.2
183.06645	0.5
196.07408	0.4
197.04488	1.0
197.08205	0.5
204.54594	0.3
210.01721	0.7
211.02492	10.0
212.02832	0.5
225.04022	4.1
225.07471	0.4
239.05655	0.7
241.03479	0.5
253.03741	0.4
269.98285	0.5
270.98871	1.2
271.04633	10.9
272.05093	0.4
285.06198	2.5
286.01285	1.2
297.06418	0.4
312.99924	0.5
313.05884	0.6
315.12381	4.1
331.06744	0.5
359.13483	2.4
363.18073	0.4
373.10718	0.4
449.07614	0.4
477.17731	0.4
493.06192	1.5
525.16168	100.0
526.16534	8.6
526.24146	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.0
59.01387	8.3
59.58204	0.6
60.99291	2.5
65.00318	1.4
67.01890	1.7
68.99805	1.4
69.12720	5.5
71.01029	0.7
71.01386	7.9
73.02955	2.3
81.03457	2.9
82.00616	1.1
83.01389	3.2
85.02927	1.7
87.00900	3.9
87.52447	0.6
88.98809	17.7
93.03486	1.3
95.01406	4.2
96.99305	1.5
97.02963	2.2
99.00900	1.7
101.02456	2.9
107.01393	1.6
108.02171	1.5
109.02959	4.0
110.00113	3.9
111.00852	3.4
112.98785	1.1
113.02451	2.9
115.90003	0.6
120.99278	1.5
121.02967	7.0
122.00112	1.2
123.00898	17.9
123.04526	0.7
124.01669	15.0
125.02460	8.0
125.99583	1.6
127.00350	3.2
136.98811	2.8
137.02461	21.3
137.09700	2.9
137.63242	0.6
137.99591	4.5
138.03236	4.0
139.00430	6.1
139.04030	14.6
141.02023	0.8
143.08435	0.6
149.02448	0.8
151.00586	0.9
151.03984	0.9
153.01952	57.7
153.05551	9.5
153.99132	1.7
154.02638	2.1
155.03500	4.7
161.04614	1.1
161.09764	1.0
163.07655	3.0
166.99876	7.2
168.00555	2.7
168.04285	57.5
169.01393	4.5
169.04767	1.7
179.03526	0.7
179.10753	1.5
181.01445	11.8
181.04999	1.2
181.08734	3.7
182.02217	12.6
183.03018	9.4
183.06628	16.9
195.03026	1.8
196.03780	2.8
197.04561	39.6
197.11835	0.9
198.04863	1.1
211.02499	3.3
211.06055	1.4
223.09727	1.7
225.04100	1.9
241.10880	0.8
253.71030	0.8
281.06708	1.3
308.44882	0.7
311.04025	1.5
311.99139	2.8
326.06436	5.5
327.01413	3.4
327.07111	1.0
341.08783	100.0
342.09058	4.7
392.22327	0.7
419.68417	0.8
477.62689	0.8
495.11920	1.3
507.18747	1.2
510.13879	5.5
525.15607	51.3
526.16003	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	525.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	0.3
56.62999	0.4
59.01377	2.0
61.98822	0.7
67.01885	0.7
68.99797	0.7
69.09171	1.4
69.09570	0.8
71.01389	1.6
79.01875	0.4
83.01392	2.8
85.02905	0.3
89.02412	0.6
93.03470	2.7
95.01365	0.9
97.02947	0.4
98.21791	0.8
99.00862	0.9
101.02427	1.1
107.01386	0.6
110.00084	1.1
111.00894	4.2
112.98808	1.2
113.02425	0.7
123.00903	6.8
123.04533	0.4
125.02450	3.7
125.03761	0.3
125.99584	0.5
127.00388	5.3
136.98825	3.3
137.01485	0.5
137.02455	7.5
137.99625	1.7
138.03276	1.7
139.00392	7.7
139.03996	0.7
139.99368	0.7
140.01114	0.6
141.01968	0.7
145.10159	0.3
149.02441	0.4
150.03236	1.0
151.00383	1.4
151.03940	0.6
153.01956	16.0
153.05589	29.2
154.02737	5.3
154.05914	0.5
154.99881	0.6
155.01782	0.6
165.05548	0.6
166.99919	0.6
167.03432	0.4
168.00616	0.7
168.04288	7.4
169.01439	4.2
169.05025	1.9
181.01419	0.5
181.08691	0.5
182.02232	10.7
183.02881	0.5
183.06601	2.1
195.06714	0.3
196.03755	0.5
197.04562	100.0
198.04930	3.3
203.17673	0.4
209.08080	0.5
211.02470	1.5
211.06110	0.7
221.04517	0.4
236.82317	0.4
239.05566	1.0
243.03391	0.4
250.06955	0.3
252.30655	0.3
269.06757	0.4
271.04523	1.8
281.06808	0.8
287.09241	0.7
313.05750	0.5
313.10913	0.5
341.08755	4.0
347.76752	0.3
406.36295	0.3
441.82281	0.4
507.18912	1.5
515.86633	0.3
525.20099	12.8
526.20013	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.198
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15907	1.5
57.03433	1.8
59.01379	26.8
60.42692	1.5
61.98832	4.3
66.07226	1.6
68.62807	2.0
70.00878	1.6
71.01388	18.6
71.28413	2.0
72.99287	2.6
73.02945	5.0
75.00886	3.7
79.01889	2.1
81.03456	3.0
83.01388	2.3
85.02963	7.5
87.00874	4.0
87.55794	1.7
89.02446	6.6
95.01407	6.8
97.02961	6.8
101.02439	13.7
107.01397	2.0
107.05046	4.9
108.02173	8.1
109.02965	8.0
111.00890	7.2
113.02474	6.9
119.03546	3.1
121.02972	4.5
122.03741	5.4
123.00920	4.0
123.04527	20.9
124.01646	3.2
125.02490	7.9
126.02882	1.7
135.04547	10.8
136.01656	2.5
137.02475	26.8
138.03242	86.0
140.01173	1.6
148.05348	12.9
149.02504	4.6
149.06065	4.2
150.03244	4.7
151.00417	3.1
151.04013	20.9
152.01163	6.9
153.01892	4.9
153.05585	56.0
161.02467	1.9
161.04607	3.1
163.04018	8.3
163.07671	8.3
164.04817	8.5
165.05612	10.0
167.03511	24.1
167.07143	37.0
169.01477	3.6
170.02222	4.1
177.01981	2.3
179.03574	3.6
179.07187	3.6
180.04286	5.7
181.05078	100.0
182.05850	53.6
183.06635	78.8
193.05035	2.2
195.06642	7.2
198.05338	8.2
213.07697	55.4
214.08064	3.0
219.13710	1.7
223.06142	2.9
227.54453	1.7
296.05545	2.5
311.07764	70.4
313.09241	4.6
329.12439	58.6
330.13098	2.4
333.19208	3.7
339.83646	1.8
344.11127	14.3
345.13474	11.3
350.77148	2.0
363.14041	10.4
373.15063	3.1
465.23730	2.3
525.16211	12.8
525.20209	10.8
525.28998	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	525.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84827	0.3
59.01375	0.8
61.98836	0.5
68.99624	3.3
71.01379	1.8
73.02929	0.6
83.05038	0.5
85.02965	0.8
93.03481	0.6
94.76107	0.4
96.96037	0.4
97.02991	0.7
99.00862	0.5
101.02462	1.1
107.08678	1.0
109.03003	0.4
110.00092	3.8
113.02459	0.4
115.07397	0.3
117.89098	0.4
120.05833	0.7
120.45267	0.4
122.03814	0.5
125.02458	3.8
135.08171	2.7
137.02443	1.0
137.99605	4.4
139.00360	0.5
149.02551	0.5
153.01950	100.0
153.09219	12.9
154.02269	1.9
154.09589	0.5
159.04359	0.8
161.04514	0.5
168.04288	91.1
169.04677	2.3
175.11255	0.4
177.09244	1.9
178.95638	0.4
179.07069	0.8
183.06631	77.4
184.06929	1.9
193.08698	1.1
195.10257	0.6
197.08189	1.4
221.08211	1.4
239.09189	0.9
241.05089	1.7
242.05562	1.9
243.06712	5.1
244.06973	4.4
245.07220	4.3
525.12799	0.8
525.19812	7.6
526.20038	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	15.5
69.14857	6.1
71.01389	8.3
72.99313	0.8
73.02947	1.2
81.03460	1.2
83.01369	0.9
85.02956	3.3
87.00900	1.9
89.02445	6.6
93.03455	1.1
95.01374	1.4
95.05024	1.2
98.22559	1.6
101.02460	5.5
108.02197	1.1
109.02970	3.0
113.02483	4.0
118.65556	0.7
119.03529	2.4
121.03000	3.9
122.03757	15.2
123.04538	100.0
123.31221	0.8
124.01621	1.5
124.04887	2.4
125.02452	0.9
127.43408	0.7
129.03432	1.1
131.03514	1.7
135.04539	2.7
137.02438	2.8
147.04526	8.7
149.02470	3.0
154.02751	1.1
163.04056	3.3
164.04796	10.1
165.05586	19.0
179.05722	0.9
179.07141	3.2
183.06648	5.0
208.18341	1.0
221.06686	1.0
285.11694	0.8
345.11868	50.3
346.12311	3.5
363.14285	1.0
525.19794	55.7
526.20081	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	525.198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.3
59.01385	31.1
61.98820	2.6
63.19226	1.0
65.53584	0.9
65.77448	1.1
69.57922	1.2
69.58196	5.4
71.01385	22.4
72.99277	1.1
73.02938	3.2
83.01373	2.5
85.02968	5.4
87.00880	3.3
89.02450	23.1
93.03483	2.1
95.01392	1.5
95.05062	1.2
96.52610	1.0
96.96021	1.6
101.02450	13.4
107.01453	1.8
108.02160	4.1
109.02937	1.4
111.00895	3.6
113.02469	9.9
119.03509	10.7
119.04943	1.2
121.02928	2.5
122.03748	3.7
123.00945	1.5
123.04520	2.7
124.01744	1.3
125.02463	7.4
126.26102	1.0
128.65318	1.0
131.03505	1.6
134.03757	37.3
135.04533	4.9
137.02466	3.7
143.03557	2.6
146.03748	58.4
147.04539	13.1
148.05309	2.2
149.06088	36.5
150.03236	3.1
150.06360	1.3
151.03981	2.3
161.04610	3.4
161.06065	20.1
163.04019	3.1
164.04797	34.4
165.05580	5.2
166.06319	1.2
167.07153	35.0
169.01457	9.1
177.05571	2.9
179.05627	14.5
179.07132	100.0
180.07475	4.6
181.05032	3.0
193.08684	3.0
195.02963	1.1
195.06596	2.5
313.05664	2.1
327.12338	3.4
328.11615	1.5
329.12421	34.3
330.12708	1.9
383.13556	25.6
465.23065	2.9
477.17657	11.3
478.17847	1.2
489.17685	14.3
490.17801	1.6
493.51068	1.4
507.18274	3.5
525.15594	9.9
525.28174	1.1
526.16492	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00584	1.3
59.01387	14.0
61.98830	2.9
63.47377	1.0
65.30536	1.0
70.81354	1.7
71.01388	8.7
72.99333	1.7
73.02954	3.4
74.11665	1.1
78.85275	1.1
81.03442	1.7
85.02962	2.4
87.00904	2.5
87.04485	1.1
89.02454	9.7
91.05496	1.2
93.03460	5.5
95.01376	1.5
97.02918	1.3
99.00864	1.9
101.02456	7.4
107.05064	2.5
108.02196	3.6
109.02953	5.0
113.02466	5.1
119.03511	2.1
119.05038	1.8
120.99667	1.2
121.02988	6.0
122.03743	4.0
123.04539	41.9
124.01674	2.2
125.02477	2.9
131.03479	1.4
135.04538	8.1
136.01674	4.9
137.02461	36.8
137.09764	2.9
138.03259	7.4
139.03954	1.5
147.04523	1.5
148.05325	6.9
149.02434	4.0
150.03183	2.5
151.00601	1.7
151.04008	12.4
153.01964	3.0
155.10786	18.5
161.04536	1.5
163.04018	23.9
163.07663	7.2
164.04820	11.0
165.05568	20.1
167.07196	1.1
169.01379	2.8
179.03569	7.5
179.05591	3.2
179.07169	2.6
181.05106	5.9
182.05852	54.8
183.06636	100.0
184.06880	2.6
193.08711	1.5
199.09779	10.2
209.04630	1.1
211.09966	1.5
239.05608	4.6
241.10805	3.7
299.21011	1.2
327.12112	2.7
340.36060	1.5
343.10300	2.0
345.12329	2.8
363.14529	75.0
364.14664	4.3
373.11218	1.8
465.23529	2.1
525.12665	2.8
525.22632	30.2
526.23077	1.8
542.52673	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	33.6
60.41225	2.2
61.98847	3.2
71.01389	31.6
71.29156	2.6
72.99320	3.1
73.02948	7.2
83.01389	3.7
85.02966	8.3
87.00884	5.0
89.02463	23.9
93.03466	2.8
95.01401	4.7
97.03027	2.8
101.02444	18.3
107.01383	5.8
108.02236	4.4
109.02962	3.8
111.00891	7.3
113.02463	9.3
119.03503	9.4
121.02975	4.7
122.03755	4.7
123.00923	6.6
123.04549	4.9
124.01665	4.7
125.02456	44.0
131.03572	2.3
134.03760	39.6
135.04498	6.4
136.54393	2.1
137.02464	7.5
139.00380	4.8
140.01195	3.2
146.03737	51.1
147.04553	17.8
148.05359	4.8
149.06084	29.4
150.03210	4.2
151.00391	4.5
151.04042	5.4
153.01978	2.4
155.91447	2.5
161.04608	8.0
161.06100	24.6
164.04794	27.0
165.05569	6.0
167.07140	40.0
168.00693	4.0
169.01436	44.9
179.05629	14.1
179.07132	100.0
180.07536	3.6
181.05099	11.7
182.05785	2.8
183.03006	4.2
183.06660	3.3
196.07379	5.8
197.08203	2.7
221.08101	2.9
248.60089	2.2
297.06323	3.0
311.11322	2.5
313.05658	9.3
327.07260	2.9
327.12317	3.2
329.12479	32.6
333.19339	2.2
363.10284	2.4
383.13477	27.2
384.13620	3.0
465.23306	16.5
477.17529	9.9
489.17447	12.6
507.18985	5.1
525.16199	82.3
525.29266	4.7
526.16364	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21462	1.0
55.34645	1.1
59.01371	3.5
61.98814	3.9
71.01367	2.7
71.21848	0.9
71.28715	1.2
73.02913	1.4
81.03454	2.2
85.02954	3.3
89.02459	1.5
95.01389	3.3
96.73665	1.2
101.02448	2.3
108.02180	65.7
109.02265	2.3
109.02971	40.9
109.06568	1.3
111.08186	2.1
113.02423	3.5
121.02967	2.2
123.00936	1.9
123.04527	3.0
125.02448	2.6
135.04544	1.9
137.02461	1.7
149.02428	3.3
151.04051	2.1
151.07646	1.5
152.01158	78.2
153.01950	21.9
156.65234	1.1
163.04015	2.5
164.04826	7.8
165.09160	1.4
165.12872	6.2
169.01385	1.9
179.07091	4.1
183.13913	8.4
195.06636	8.1
209.08180	3.1
210.08441	1.1
217.61928	1.1
227.12907	1.2
273.72305	1.0
292.67365	1.1
315.07281	8.7
327.12360	3.4
363.18329	1.2
481.20767	4.6
507.19022	7.6
508.19153	1.2
525.19824	100.0
526.20142	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	525.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	33.6
60.41225	2.2
61.98847	3.2
71.01389	31.6
71.29156	2.6
72.99320	3.1
73.02948	7.2
83.01389	3.7
85.02966	8.3
87.00884	5.0
89.02463	23.9
93.03466	2.8
95.01401	4.7
97.03027	2.8
101.02444	18.3
107.01383	5.8
108.02236	4.4
109.02962	3.8
111.00891	7.3
113.02463	9.3
119.03503	9.4
121.02975	4.7
122.03755	4.7
123.00923	6.6
123.04549	4.9
124.01665	4.7
125.02456	44.0
131.03572	2.3
134.03760	39.6
135.04498	6.4
136.54393	2.1
137.02464	7.5
139.00380	4.8
140.01195	3.2
146.03737	51.1
147.04553	17.8
148.05359	4.8
149.06084	29.4
150.03210	4.2
151.00391	4.5
151.04042	5.4
153.01978	2.4
155.91447	2.5
161.04608	8.0
161.06100	24.6
164.04794	27.0
165.05569	6.0
167.07140	40.0
168.00693	4.0
169.01436	44.9
179.05629	14.1
179.07132	100.0
180.07536	3.6
181.05099	11.7
182.05785	2.8
183.03006	4.2
183.06660	3.3
196.07379	5.8
197.08203	2.7
221.08101	2.9
248.60089	2.2
297.06323	3.0
311.11322	2.5
313.05658	9.3
327.07260	2.9
327.12317	3.2
329.12479	32.6
333.19339	2.2
363.10284	2.4
383.13477	27.2
384.13620	3.0
465.23306	16.5
477.17529	9.9
489.17447	12.6
507.18985	5.1
525.16199	82.3
525.29266	4.7
526.16364	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09802	1.4
55.01876	2.9
57.03445	2.0
59.01382	24.1
61.98816	2.7
65.00339	2.1
67.01893	1.5
68.99814	2.2
69.18774	10.0
71.01392	14.5
73.02949	5.3
73.94077	1.3
81.03475	2.3
83.01380	7.2
85.02967	6.2
87.00891	6.9
88.98807	7.0
93.03473	3.8
95.01389	6.3
97.02977	3.5
97.06622	1.5
98.22500	4.0
99.00879	1.9
101.02441	7.5
107.16675	1.7
109.02966	5.8
110.00090	3.5
111.00863	2.9
113.02444	6.3
115.64272	1.8
119.08681	2.4
121.02936	9.2
122.00121	1.7
123.00893	23.1
124.01675	89.4
125.02497	16.2
125.99649	1.5
127.00383	3.7
135.08174	4.1
135.11810	2.1
136.98843	3.2
137.02438	22.8
137.09746	18.3
137.99554	4.6
138.03188	3.7
139.00395	6.1
139.04025	58.3
153.01947	59.7
153.05559	10.0
154.02737	2.3
155.03481	4.4
156.02176	3.1
161.04561	6.1
161.09758	7.8
163.07649	16.5
165.01949	1.7
166.99849	4.3
167.03578	2.0
168.00612	3.9
168.04285	54.4
169.04945	1.5
179.10800	6.9
181.01430	13.4
181.08702	18.4
182.02235	12.0
183.02971	7.9
183.06642	15.9
184.01639	5.6
196.03802	3.1
197.04556	41.0
197.11749	3.9
200.01198	3.5
211.02547	2.7
212.01146	1.8
223.09814	7.5
228.00620	2.9
240.00647	7.7
241.10803	2.7
256.00040	2.8
282.98578	1.8
283.99625	5.9
299.99512	1.6
311.99146	76.8
312.02829	3.6
312.99814	7.4
326.06461	7.7
327.01480	100.0
328.01868	8.0
341.08755	91.6
342.09143	4.9
385.14993	2.7
475.05319	4.3
507.19104	4.4
510.13751	7.9
525.19391	76.0
526.19629	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	525.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09935	0.5
59.01383	3.2
61.98830	2.4
66.95902	0.4
71.01390	1.0
71.28220	0.4
72.91299	0.4
73.02941	1.3
83.01385	1.4
85.02943	0.8
86.94124	0.5
93.03467	61.0
94.03815	1.4
101.02446	0.6
108.02179	1.0
123.00928	0.6
125.02464	1.6
125.06075	0.5
137.02458	100.0
138.02802	2.0
139.11288	1.3
140.01183	0.5
149.02440	0.5
151.00349	0.5
151.03970	0.8
164.04816	2.3
165.05559	0.6
165.09210	0.9
169.01407	1.9
170.01790	0.6
179.07202	2.9
181.12410	0.5
183.10316	2.4
193.96284	0.5
202.98712	0.5
209.08243	1.5
210.08490	0.6
213.20566	0.4
225.11440	2.3
243.12372	2.7
254.96451	0.5
285.13553	0.7
291.12488	0.8
299.08923	0.6
315.06143	0.8
320.70572	0.5
327.12219	0.7
338.36105	0.4
387.16745	2.7
479.94873	0.5
525.22528	2.4
525.33630	0.7
542.92444	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	29.2
60.32724	2.0
61.98832	1.9
69.44725	13.1
71.01394	17.4
72.99288	3.6
73.02934	4.6
75.00861	2.1
81.03442	3.4
83.01404	4.2
85.02957	7.3
87.00882	5.6
89.02452	8.1
95.01395	6.2
97.02982	6.9
101.02461	13.6
107.05015	3.7
108.02177	6.4
109.02990	6.6
111.00876	3.5
113.02470	8.3
119.03501	4.1
121.02948	4.6
122.03747	6.0
123.00861	3.1
123.04546	14.4
124.01667	2.8
125.02457	4.5
135.04535	9.9
137.02466	25.9
138.03247	81.0
148.05312	11.0
149.02478	5.2
149.06081	4.9
150.03247	6.0
151.00470	5.5
151.04036	16.5
152.01135	5.8
153.01932	3.2
153.05586	54.0
161.02582	2.6
161.04596	2.1
162.03456	2.2
163.04001	8.2
163.07640	7.2
164.04808	10.8
165.05585	13.3
167.03506	18.3
167.07143	47.2
169.01387	4.4
170.02264	5.1
179.07158	5.4
180.04283	6.7
181.05078	100.0
182.05836	45.4
183.06633	75.0
184.07066	3.8
195.06612	9.5
198.05338	7.8
213.07703	59.1
214.08105	3.0
223.06140	2.7
226.06750	2.3
226.57512	2.4
239.09334	3.5
311.07751	62.6
312.07974	4.1
313.05814	2.6
313.09268	3.2
327.11343	3.2
329.12424	76.1
330.13239	2.8
336.04852	2.3
344.11115	8.3
345.13443	12.7
363.14328	12.5
373.15176	3.1
414.81284	2.4
453.11160	2.2
525.19897	15.5
525.29584	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	525.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.2
59.01374	2.8
69.03453	2.1
69.73605	3.6
81.03472	3.0
82.77463	0.8
83.01388	6.5
93.03458	2.2
95.05035	4.4
97.02954	5.6
108.02163	1.3
109.02962	20.0
113.09743	2.4
121.02983	2.6
122.03742	1.6
123.04524	17.3
125.02460	14.4
135.04503	1.7
137.02460	51.5
138.03125	3.2
139.04037	5.0
146.03725	1.6
149.02443	5.2
150.03267	1.3
151.04010	15.5
151.05124	1.4
158.03735	1.0
159.04530	2.9
161.02435	1.6
161.06104	6.7
162.03195	2.4
162.08922	0.9
163.99849	0.9
164.01198	3.1
165.01933	3.3
167.03525	2.4
175.03978	2.2
175.07617	1.7
177.05777	1.1
179.03493	6.3
181.08717	15.4
187.04012	5.9
188.04863	2.8
191.07152	3.5
199.07661	1.0
202.06339	2.2
203.07164	13.2
204.07449	0.9
205.05078	8.3
209.07936	1.1
217.08759	1.1
221.08183	2.8
223.09772	1.1
227.07195	2.3
230.05891	1.1
245.08191	16.7
247.06091	1.5
287.12830	1.4
289.07202	100.0
290.07559	5.1
320.42755	0.9
331.11942	3.6
343.11902	13.1
344.12225	1.5
354.84784	0.8
373.16364	1.1
481.33020	3.6
487.34384	3.7
525.21338	24.5
525.29498	2.0
525.32129	2.5
526.21783	1.7
552.39862	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41447	0.6
50.84913	0.7
57.03431	2.2
69.03438	1.7
69.19686	4.1
69.20086	1.4
81.03437	2.2
83.01385	5.9
93.03431	2.3
95.05015	2.6
97.02949	5.2
104.65360	0.6
108.02180	1.9
109.02961	19.4
113.09724	2.4
121.02943	2.2
122.03732	1.6
123.04545	15.8
125.02461	14.2
135.04518	1.7
137.02457	52.8
138.03256	3.9
139.03992	3.1
145.03029	1.0
146.03717	2.1
147.04440	0.8
149.02426	3.0
151.04024	13.5
159.04523	2.3
160.05269	1.7
161.02420	1.0
161.06104	4.4
162.03192	1.5
164.01161	2.8
165.01947	4.8
167.03491	2.2
173.05933	0.9
175.04039	2.2
175.07593	1.4
179.03482	5.3
179.07162	1.7
181.08723	15.9
187.04044	3.8
188.04730	3.7
191.07185	3.7
201.05608	0.8
202.06369	1.7
203.07149	12.9
204.07500	0.8
205.05067	8.7
205.95120	0.7
217.08662	1.3
221.08163	1.8
227.07141	2.3
245.08185	17.7
245.11819	1.5
246.08635	0.9
247.06035	0.8
271.06058	0.9
287.12808	1.2
289.07187	100.0
290.07507	5.0
331.11880	3.0
343.11865	13.5
344.12238	0.8
373.16748	2.6
374.17636	1.2
525.21362	30.1
526.21698	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	525.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	1.6
57.19257	0.9
60.71464	1.0
69.03448	1.0
72.91884	0.9
79.89571	1.1
80.30204	1.0
81.03465	2.4
83.01392	7.3
93.03474	3.2
95.05028	2.3
97.02968	4.6
98.22607	2.1
108.02200	2.2
109.02958	18.9
113.09745	3.0
121.02965	5.3
122.03739	1.9
123.04538	19.9
125.02453	12.2
127.93100	1.1
130.75674	1.2
133.85219	1.0
135.04536	11.2
137.02455	46.8
138.03227	3.4
139.04007	3.2
146.03700	1.4
148.05286	3.9
149.02452	25.7
150.03209	1.6
151.04033	12.4
156.20250	1.1
159.04587	2.3
160.05299	1.6
161.06105	3.8
163.03990	2.6
163.07652	2.4
164.01181	2.2
164.04807	48.1
165.01958	1.7
165.05464	2.2
175.07713	4.9
179.03534	4.4
179.07152	41.2
180.07417	1.1
181.08716	13.2
187.03970	2.4
188.04816	3.5
189.70039	1.2
190.91420	1.1
191.07138	2.5
202.06447	1.8
203.07161	10.2
204.07280	1.0
205.05090	8.7
217.08549	1.3
221.08226	2.8
245.08234	13.0
245.11906	1.3
271.06100	1.3
289.07205	100.0
290.07617	3.6
297.11072	1.2
327.16061	6.9
329.34457	1.1
331.11725	2.3
343.11890	13.2
345.17145	5.6
489.22943	1.8
507.23883	2.4
525.21228	22.1
525.28204	1.8
526.21442	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	525.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	3.1
59.01373	1.5
69.03450	1.5
69.16576	8.0
75.15347	0.9
81.03461	3.1
83.01395	4.8
84.35498	0.9
93.03457	1.8
95.05019	3.9
97.02950	5.6
106.00249	0.9
107.05038	1.0
108.02171	1.4
108.83458	1.1
109.02952	23.4
113.09730	3.5
121.02988	3.6
122.03748	1.7
123.04536	15.3
125.02455	19.4
127.08990	0.9
135.04507	2.8
137.02454	46.4
139.04018	4.6
145.03038	1.2
146.03767	2.6
149.02454	4.4
150.03207	1.4
151.04002	11.4
157.06633	1.3
159.04543	3.9
160.05325	1.8
161.02524	1.5
161.06064	6.8
162.03296	2.8
163.04021	1.2
164.01167	3.7
164.04774	3.2
165.01926	6.1
165.05547	1.2
166.02841	1.0
167.03500	3.8
173.06046	1.4
174.03227	1.0
175.03987	3.0
175.07632	2.7
179.03496	8.6
179.07181	4.0
181.08705	25.4
185.06061	1.3
187.03989	7.1
188.04813	6.0
202.06364	2.7
202.42096	0.9
203.07164	18.3
205.05028	13.6
221.08208	2.3
227.07198	2.6
235.13364	1.6
245.08185	20.9
247.06087	1.1
271.06012	1.4
289.07202	72.7
289.17935	5.9
290.07568	3.7
302.42816	1.2
343.08224	1.5
343.11954	3.8
493.93652	1.0
525.21301	100.0
526.21637	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	525.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	9.8
59.01378	2.8
61.98824	2.3
65.00334	1.6
69.03453	1.2
70.02117	3.9
71.01385	2.0
81.03456	4.2
83.01393	3.9
83.05046	1.6
85.06562	2.2
87.04505	2.0
97.02972	2.4
107.04997	1.8
108.02181	2.3
109.02940	8.4
109.06605	9.9
111.04527	16.7
121.02981	1.5
123.04544	7.7
123.08130	1.4
124.01689	2.3
124.75308	1.1
125.02457	11.7
133.06544	1.6
135.04556	1.2
137.02457	18.3
139.04019	1.8
149.02496	3.0
149.09726	3.8
150.03099	1.1
151.04024	6.9
151.07661	17.3
152.01172	1.0
152.16628	1.1
153.05608	2.7
158.36670	1.2
159.04572	1.3
160.98895	1.1
161.06021	1.7
161.87062	1.1
162.32709	1.1
163.04083	1.3
164.04796	1.3
167.03552	1.3
168.43225	1.2
169.01468	1.6
169.12386	1.4
173.05989	1.2
175.07622	2.6
177.05669	2.0
179.07083	1.5
181.05031	2.0
181.08723	6.8
188.04892	1.5
191.03371	1.7
191.07230	2.0
191.10753	3.8
193.08566	2.4
195.06633	57.9
203.07161	5.4
203.10890	2.3
205.05051	4.2
207.06583	2.3
209.08276	2.1
209.11823	1.7
217.08600	1.5
219.06619	3.5
219.13905	2.5
221.08244	1.9
235.09756	11.4
245.08253	7.0
247.09811	10.5
259.13455	1.8
261.14932	5.0
287.12872	8.4
289.07208	34.4
289.10559	1.7
290.07550	1.3
293.13934	2.8
305.13956	74.7
306.14282	4.0
312.13751	1.8
317.13690	1.4
327.12387	2.6
327.16064	6.8
329.14026	2.3
343.11984	3.2
345.17044	4.9
363.18155	100.0
364.18533	6.2
387.18008	2.3
405.19174	4.1
443.21024	5.5
444.20938	1.3
467.19281	3.6
489.21448	1.3
525.23260	52.2
526.23724	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	525.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21754	0.5
54.99426	0.6
56.49285	0.6
57.03448	1.7
58.25857	0.6
59.01352	0.6
69.03455	1.1
69.52181	3.4
81.03477	2.0
83.01392	3.9
85.80544	0.6
87.04527	0.7
93.03446	3.1
95.05033	2.8
97.02953	4.1
98.22460	1.2
99.04576	0.6
100.67136	0.6
106.51017	0.6
107.05038	0.8
108.02180	2.8
109.02247	1.2
109.02960	16.2
113.09705	2.8
121.02977	7.6
122.03724	2.3
123.04536	17.6
125.02457	9.5
135.04541	21.1
136.05330	0.7
137.02460	37.7
138.03175	2.6
139.04010	2.4
145.02974	1.1
146.03734	1.8
147.04512	1.0
148.05318	8.9
149.02451	46.3
149.06102	1.4
150.03214	2.2
151.04008	11.6
157.06606	0.7
159.04530	2.1
160.05299	1.4
161.02489	0.6
161.06119	4.1
162.03294	1.4
163.04045	2.5
163.07674	4.6
164.01122	2.2
164.04802	100.0
165.01971	3.2
165.05498	6.2
167.03497	1.2
167.61194	0.6
168.54211	0.5
175.04074	1.7
175.07671	5.4
176.08351	0.9
177.05711	0.8
178.06326	1.4
179.03679	5.1
179.07147	73.9
180.07495	2.5
181.08719	11.6
182.08908	0.6
187.04010	2.7
188.04807	2.5
188.08481	0.7
190.06366	0.6
191.07118	2.4
202.06386	1.7
203.07164	9.4
204.07756	0.8
205.05058	6.7
212.04614	0.7
217.08752	1.0
221.08186	1.6
227.07172	1.9
244.03859	0.7
245.08188	11.6
245.11920	1.1
246.08469	0.7
247.06172	0.8
271.06192	1.0
284.23361	0.6
289.07205	74.2
289.18018	1.7
290.07581	3.8
297.11435	1.6
299.12875	0.7
308.07535	0.6
312.13382	0.8
313.14468	1.8
327.16019	10.3
328.16339	0.8
331.12003	3.0
331.15317	0.8
335.22971	0.9
343.11816	9.2
343.15634	0.9
344.12433	1.2
344.16269	0.9
345.17026	10.8
345.20990	1.0
373.16455	0.7
383.18542	0.8
401.19797	0.9
489.22916	4.4
507.24063	3.4
525.21082	14.2
526.21735	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89724	0.4
59.01390	0.6
61.98838	0.5
65.84329	0.3
69.06671	1.7
69.07095	1.3
93.03470	0.7
95.05049	0.4
97.02990	0.4
107.05022	0.6
108.02170	2.0
109.02969	1.2
111.04530	1.0
121.02967	6.0
122.03792	0.9
123.04523	2.9
135.04535	16.7
136.05266	0.6
137.02457	2.1
146.03769	0.8
147.04471	0.6
148.05312	5.5
149.02452	41.1
150.03075	1.5
151.03983	0.7
159.04655	0.5
160.05324	0.6
161.06064	0.5
163.03976	1.2
163.07663	2.5
164.04805	100.0
165.05299	4.8
175.07649	4.5
178.06422	0.9
179.07147	78.4
180.07469	2.4
188.08357	0.5
189.09183	0.5
209.08112	0.4
223.09731	3.9
235.09747	1.1
251.48468	0.4
289.07156	2.7
297.11337	0.6
298.44562	0.4
301.07184	0.8
312.13620	0.8
313.14435	1.3
327.16013	16.7
328.16354	1.6
345.17053	4.0
458.14627	0.4
471.31195	1.7
489.22833	2.6
489.32288	0.6
507.23740	2.9
525.17712	0.9
525.24951	0.5
525.32129	0.6
526.18396	0.5
549.57635	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68889	0.9
54.34278	1.0
54.81811	1.1
55.01884	2.2
57.03448	2.2
57.78822	1.0
58.21082	1.0
59.01381	60.1
69.17995	6.4
69.98579	1.1
71.01385	46.0
72.99331	2.0
73.02950	11.2
74.99134	1.1
81.03474	1.1
83.01399	6.6
85.02958	18.9
86.92872	1.0
87.00895	2.7
87.74926	1.0
89.02451	12.5
93.03444	1.5
93.22042	1.0
95.01409	3.9
97.02957	1.8
98.21838	2.7
99.00885	7.0
101.02447	31.0
101.12182	1.1
109.02980	1.5
113.02461	20.8
119.03542	4.5
120.99667	3.1
125.02473	7.0
131.03516	31.2
137.02467	4.7
143.03514	3.7
146.03685	1.7
153.01956	1.8
157.55293	1.0
159.02983	5.3
161.04562	28.0
161.05904	2.0
165.01930	1.8
165.05489	1.1
167.03705	1.1
167.07169	5.0
169.01459	3.3
171.56808	1.1
179.07185	2.3
180.04317	1.6
195.06674	3.4
208.62006	1.0
212.06514	1.1
249.66266	1.2
281.06619	3.9
297.06039	1.5
333.19189	100.0
334.19540	5.0
354.92349	1.1
465.23434	36.8
466.23758	1.8
481.13361	3.0
519.38190	1.3
525.15918	3.1
525.22906	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	525.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19108	1.5
55.01891	2.1
57.03450	1.8
59.01382	70.1
62.09808	1.5
66.24534	1.3
68.12387	1.7
69.03413	1.5
69.14028	11.3
71.01386	39.4
72.53082	1.6
72.99316	1.6
73.02949	13.3
74.99077	2.0
75.00835	1.7
83.01386	6.0
85.02955	21.4
87.00864	3.2
89.02451	10.5
90.05266	1.5
93.03480	1.6
95.01394	4.8
99.00877	4.7
101.02452	29.8
101.03570	1.5
107.83332	1.7
108.02189	1.9
111.00910	2.7
113.02448	19.5
117.92717	1.4
119.03530	4.0
121.02951	3.5
122.03702	1.9
123.00801	2.7
123.04528	1.9
125.02464	14.1
128.90536	1.5
129.01982	1.8
131.03510	24.2
134.03760	3.1
137.02402	2.4
143.03429	3.5
149.06082	5.8
151.00386	2.7
159.03009	3.7
161.04572	27.2
164.04793	1.9
165.05583	2.3
167.07182	12.8
168.07452	2.7
169.01408	8.4
171.94147	1.5
179.07118	6.0
189.84782	1.7
211.06169	1.7
315.12366	6.0
333.19174	100.0
334.19540	5.7
339.16824	1.7
377.18018	4.1
398.97034	1.6
441.54773	1.7
455.11090	1.6
465.23419	31.2
525.16809	10.1
526.16119	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91949	13.9
59.01374	41.6
61.98841	17.7
75.71949	13.6
85.44974	16.6
103.47511	15.2
137.64352	15.1
162.61914	17.3
171.47873	15.5
204.67888	14.7
397.30936	17.8
451.32382	26.4
453.33820	86.1
479.31802	25.5
497.32892	23.7
525.32556	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	525.3198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.6
59.01379	1.4
61.98827	3.2
69.03461	1.9
72.99301	2.6
96.95975	0.9
98.22543	3.3
102.16232	0.9
113.91338	0.8
125.09722	0.9
229.31512	0.9
321.29507	0.9
413.34308	3.9
423.32880	1.0
434.47214	1.0
453.33835	1.3
457.33279	100.0
458.33533	8.7
479.31793	1.8
487.34613	5.3
489.32373	1.3
525.32147	56.0
526.32202	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	525.3354
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32850	11.6
50.48996	11.2
54.36943	9.9
55.97776	10.6
57.08978	10.7
59.01374	11.8
61.98829	16.3
64.62814	11.0
69.25885	28.5
69.26291	61.7
108.31136	11.2
125.09727	48.7
186.09846	14.9
190.97346	11.3
209.77655	13.2
242.98187	11.8
401.75830	13.1
426.71945	12.3
481.32153	39.9
487.34106	20.7
525.32562	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	526.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00208	5.3
59.45220	4.7
69.01959	45.7
93.03444	6.3
123.00928	7.6
125.02457	6.3
137.02455	15.5
138.03084	5.2
139.00392	5.9
151.04068	6.8
169.01401	6.9
178.99863	8.2
182.05783	9.0
183.06520	30.7
184.06992	10.6
270.01648	10.8
271.02402	32.6
287.02054	18.8
300.99979	13.5
316.02222	89.8
317.02960	14.9
363.15118	7.9
364.14850	18.7
463.08841	100.0
526.12305	6.6
527.14355	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	526.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78297	0.6
59.01365	1.0
61.98834	100.0
65.00337	1.6
71.29576	0.7
75.90863	0.7
79.95733	0.7
83.01407	0.7
96.96012	4.2
107.01402	4.6
109.02943	1.4
121.03011	2.2
123.04503	0.9
123.50856	0.6
125.02480	2.2
139.04071	0.9
151.00391	12.6
164.01256	0.7
169.01500	2.8
169.05147	1.5
178.99860	4.5
181.05031	0.7
260.06232	0.6
279.17093	0.7
300.02756	10.9
301.03546	40.1
301.56021	0.6
302.04004	1.9
361.03870	0.6
463.08643	12.7
464.09177	0.9
526.16248	2.3
527.12280	1.7
527.25720	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82056	0.7
57.51714	0.7
59.01384	2.8
61.98836	100.0
71.01383	1.9
76.69152	0.7
79.47858	0.6
89.02467	2.0
98.22530	1.9
101.02457	1.2
102.26999	0.8
108.02225	1.1
109.02996	1.1
113.02473	1.0
121.02972	0.9
123.00951	0.7
129.25766	1.0
134.64310	0.7
135.04607	0.9
137.02542	0.8
145.03152	0.7
146.34570	0.7
149.02486	2.6
150.02803	1.1
153.05643	2.3
154.05904	0.9
164.04796	5.3
165.05188	2.7
167.33011	0.9
170.82251	0.6
179.07153	3.3
180.07532	2.0
218.64531	0.7
286.70740	0.7
348.04453	1.1
478.01239	0.7
526.13116	1.0
526.20215	1.9
527.25507	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.0
61.98835	100.0
71.01389	0.8
71.29166	0.4
74.99114	0.6
85.03007	0.4
87.29205	0.3
89.02483	0.3
96.96039	0.9
99.00878	0.4
101.02460	0.6
107.27681	0.3
109.02998	0.3
111.00901	0.4
113.02528	0.5
114.72334	0.3
118.33363	0.4
120.99641	0.4
123.00939	0.9
123.04564	0.4
124.01682	0.6
125.02515	0.5
135.04561	0.3
136.99223	0.6
137.02538	0.4
138.03195	0.3
139.04034	0.5
146.03740	0.4
166.99902	0.4
167.03610	0.5
167.07156	1.6
168.07446	0.5
181.05109	0.4
183.06734	0.5
194.71234	0.3
226.92145	0.4
238.23657	0.4
271.02548	0.6
278.54425	0.3
301.00082	0.5
301.78156	0.3
316.02448	1.3
317.02975	0.8
328.12595	0.4
463.08749	2.0
464.10211	0.4
466.23303	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
64.09062	27.3
70.26481	63.1
70.26846	54.6
85.94879	27.6
87.44596	29.8
115.26657	35.6
197.21941	34.3
240.32179	30.0
240.35162	30.5
418.79294	32.6
503.21664	31.3
526.32233	39.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	55.8
69.02238	67.7
69.02659	100.0
87.51175	20.9
89.78717	19.2
152.39957	20.3
288.28912	19.4
291.19800	22.8
313.27783	18.8
338.10760	21.8
354.25131	21.2
526.28149	36.5
527.27161	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	526.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	28.4
61.98826	100.0
69.22375	85.8
69.22772	51.4
77.04365	24.3
77.34976	26.1
94.57053	23.9
106.28672	22.8
141.04329	25.1
149.02414	28.0
218.31984	27.5
253.21461	23.5
266.83493	21.8
301.05289	24.1
360.64981	24.3
539.40094	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.0504
Annotation	Quercetin 3-rhamnoside-3'-sulfate
Peak:m/z	Relative Intensity
59.01372	1.2
61.98814	0.9
63.02398	1.0
65.00322	0.9
78.91879	0.9
79.95758	0.9
81.16379	0.7
83.01373	2.1
95.99964	0.9
96.96016	3.6
103.97656	0.7
107.01410	3.9
108.02187	1.0
109.02943	2.6
115.04448	0.8
120.99604	0.8
121.02954	4.4
123.00954	1.0
125.02458	1.7
137.02525	0.8
148.01694	1.0
149.02391	1.0
151.00395	20.6
153.01880	0.9
159.04547	1.1
163.00368	4.6
163.04097	0.8
164.01137	1.1
167.03555	1.3
168.00626	1.0
169.01497	2.1
175.04047	0.8
178.99875	11.1
183.02977	2.6
192.90578	0.8
201.05589	1.0
211.04004	1.3
213.05261	0.8
225.00818	1.3
227.03502	2.2
229.05069	1.2
239.03409	1.6
243.03038	6.6
245.04575	2.5
254.02287	1.7
255.03011	23.1
271.02487	43.5
272.02966	1.8
273.03934	2.0
283.02594	2.4
300.02765	100.0
301.03534	94.8
302.03787	4.2
355.95901	1.0
380.99203	8.2
447.09348	67.5
448.09457	5.0
449.16510	1.1
527.05060	73.4
528.05280	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	527.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22254	0.7
59.01373	2.7
66.69460	0.8
69.03468	1.3
69.28751	4.2
71.01391	3.7
72.99274	0.8
73.02939	0.9
79.01859	0.8
83.01396	0.8
85.02937	1.0
87.00882	0.9
89.02450	1.5
95.01397	1.8
96.80544	0.7
96.96022	2.0
98.22483	1.1
99.16912	0.7
101.02457	2.3
107.01397	9.4
109.02953	1.1
111.00890	2.3
113.02477	1.2
120.99654	2.8
123.00886	6.5
123.04511	0.6
124.01713	1.3
125.02462	41.9
126.02792	0.8
136.98865	1.5
137.02428	3.1
138.03238	45.7
139.00385	3.7
139.04059	3.4
140.01190	2.7
143.37508	0.6
145.02855	0.6
149.76047	0.7
150.03230	1.2
151.00362	5.6
151.03963	1.6
153.01932	1.0
153.05588	35.5
154.05902	1.1
165.05626	1.0
167.03468	1.1
168.00642	2.9
169.01434	57.0
170.02107	2.8
179.03574	0.8
180.04288	3.2
183.02951	2.4
193.01480	0.6
195.06639	2.3
198.05365	6.5
199.06140	1.8
211.02490	1.4
213.07692	38.0
214.08063	1.1
223.02480	0.7
241.03479	0.8
253.03737	0.9
261.69714	0.7
271.04681	0.9
300.99939	1.4
313.05673	34.6
314.06076	1.0
327.07062	1.1
365.14468	0.8
375.12869	4.8
479.12106	3.0
509.12949	3.5
527.14081	100.0
528.14551	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	527.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00021	1.0
58.36763	1.1
59.01368	6.8
61.98841	2.4
67.01901	1.3
71.01385	6.3
71.58710	1.2
75.99210	1.1
79.01881	2.6
85.02943	1.4
87.00891	1.0
89.02454	1.4
95.01414	3.4
96.96002	1.5
101.02477	1.4
107.01401	10.1
108.02180	3.0
109.02982	2.2
111.00888	4.0
113.02497	2.5
117.03462	2.7
119.05014	1.2
121.02970	2.1
123.00896	18.7
123.04534	2.3
124.01716	2.7
125.02457	50.0
127.00401	2.1
129.14342	1.3
135.04547	1.9
136.98830	2.5
137.02461	4.8
138.03249	2.5
139.00378	8.6
139.04092	2.1
140.01213	6.3
141.01939	1.3
145.02948	8.4
146.03767	1.1
149.02470	1.9
150.03229	1.5
151.00375	9.0
151.03999	2.2
153.01926	2.4
153.05630	1.8
161.02473	5.6
162.03215	9.1
163.03983	6.4
164.01065	1.2
165.05695	1.1
166.99945	1.9
167.03514	3.8
168.00650	13.1
169.01434	62.3
177.01971	2.0
177.05565	1.5
179.03432	1.4
180.04317	7.1
181.05174	1.4
182.02283	1.4
183.03030	4.7
195.06604	8.4
203.06744	1.1
211.02495	42.5
212.02901	1.8
225.03944	6.1
241.03552	2.4
249.04033	1.6
271.04602	44.9
271.07455	2.3
272.04950	1.3
275.02087	3.6
285.06207	9.0
297.06259	1.3
299.99188	1.6
300.99942	10.3
313.05698	6.2
331.06848	2.0
343.10593	1.8
382.02692	1.8
403.09137	1.4
421.04056	1.3
479.11981	1.4
483.12189	1.4
495.43173	1.2
509.13025	100.0
510.13394	8.6
527.14221	47.4
528.14618	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	527.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17303	0.5
56.19674	0.5
57.03433	0.6
59.01368	0.9
60.42455	0.5
61.98822	1.2
67.01884	1.1
67.62720	0.7
68.73103	0.5
69.03465	1.4
70.54343	1.5
71.01387	2.7
79.01880	1.1
81.09477	0.6
83.01387	1.0
89.02432	0.6
90.00464	0.5
93.03448	0.6
95.01419	1.2
97.02962	1.5
98.22482	0.6
101.02456	1.1
107.01409	7.7
109.02952	0.9
111.00874	1.2
113.02451	1.2
121.02959	1.6
122.03745	2.0
123.00903	9.2
123.04515	1.3
124.01657	1.3
125.02458	45.8
126.02765	0.9
127.00436	0.8
133.03006	0.8
136.98872	0.8
137.02437	2.5
138.03281	1.3
139.00421	3.6
139.04048	0.9
140.01167	2.6
141.01933	1.2
145.02986	0.8
149.02452	1.2
150.03249	14.1
151.00403	7.4
151.04013	4.0
153.01910	0.6
153.05573	1.0
157.02948	0.6
161.02411	1.2
163.04022	0.7
165.01941	1.3
165.05586	14.9
165.06894	1.1
166.02692	0.6
167.03479	1.4
168.00652	2.6
169.01440	59.7
170.01723	1.3
175.04097	0.8
177.01941	1.6
179.03526	1.0
180.04268	1.3
183.03021	1.3
185.02443	0.6
189.01999	0.8
191.03609	0.7
195.06702	1.3
211.02504	1.4
231.02867	0.7
241.03665	1.3
249.04196	0.8
275.01889	1.7
289.07074	1.4
297.06210	0.7
299.99323	0.8
300.99994	3.9
302.00076	0.7
313.02097	1.3
313.05688	22.4
314.06088	1.4
327.07407	1.8
509.13312	1.1
527.14105	100.0
528.14441	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	527.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	1.1
57.41135	1.0
59.01368	1.7
63.96216	1.5
69.03407	1.1
69.36570	5.5
69.36980	2.3
71.01383	8.7
73.02937	6.9
74.99089	5.0
75.75134	0.9
78.98601	5.1
79.47702	1.0
79.95747	8.8
80.96520	51.7
85.02951	3.5
87.00883	3.6
93.91927	1.0
94.98094	14.6
96.96032	3.1
97.02903	1.3
101.02429	3.3
106.98107	2.1
108.02216	1.4
111.00849	1.2
120.99654	2.6
122.97581	3.1
123.04544	3.7
124.04830	1.4
125.02457	3.6
125.72748	1.0
131.18459	1.0
134.97585	4.4
136.99202	5.9
139.04002	4.3
142.68231	0.9
148.99147	4.8
152.98662	4.7
153.01968	1.1
160.04068	3.3
161.02408	1.1
164.98624	10.8
165.09157	1.2
183.06628	1.7
192.16820	1.1
206.99638	1.4
209.08179	6.5
209.11780	2.8
225.00703	15.7
262.03391	1.2
270.64429	1.0
277.05334	1.7
299.04431	1.6
299.64105	1.2
365.15152	1.7
439.66138	1.1
527.18079	100.0
527.25238	10.3
528.18646	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	527.2137
Annotation	Dutasteride
Peak:m/z	Relative Intensity
56.23878	0.5
57.03443	1.8
59.01385	26.9
65.85882	0.5
69.03465	0.7
71.01385	4.6
72.99301	0.7
73.02953	6.0
78.95890	0.7
83.01391	5.3
85.02940	1.8
87.04516	2.3
95.01396	1.7
95.05028	0.7
97.02974	1.3
98.91100	0.6
101.02443	3.3
109.06579	0.8
111.00877	1.3
113.02452	1.7
121.02973	1.2
123.00897	16.7
123.04567	1.0
124.01673	91.3
125.02466	14.6
125.06075	0.8
127.07667	0.7
137.09726	0.8
138.03242	3.6
139.04024	58.8
139.11305	17.0
140.04385	1.9
149.02493	0.6
149.06149	0.8
151.04100	0.5
153.01930	0.5
161.04608	0.7
163.11305	1.3
165.09186	1.1
169.12386	2.0
179.10832	1.5
181.12355	5.6
183.06862	1.0
183.10275	36.7
184.10576	1.3
187.15826	0.5
199.13379	0.9
205.12320	0.7
207.10237	0.6
223.06158	0.7
225.11328	12.8
243.12398	7.3
247.13432	0.6
249.11327	2.5
267.12393	1.6
285.13470	1.3
291.12393	2.2
303.93079	0.6
309.13547	0.8
327.14575	3.3
387.16785	1.9
453.17630	2.0
477.17282	1.2
509.20367	7.7
527.21350	100.0
528.21637	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	527.2138
Annotation	Dutasteride
Peak:m/z	Relative Intensity
53.62326	1.2
55.01889	1.6
57.03444	4.2
58.00603	2.0
59.01384	9.2
61.98828	4.6
62.38736	1.3
69.03454	2.1
69.72272	5.6
71.01387	7.9
72.99318	2.4
73.02935	3.3
83.01376	1.9
83.05048	2.7
85.02957	10.4
87.04519	22.7
96.95950	1.5
97.02953	5.7
99.04517	2.6
101.02436	6.4
105.96275	1.4
109.02977	3.7
109.06622	1.4
110.00123	4.2
111.04539	1.9
113.02479	2.3
118.58788	1.3
120.30114	1.2
121.93012	1.4
123.04524	2.4
125.02454	9.2
125.06184	2.0
127.07664	1.7
135.04587	1.6
135.08211	4.4
137.02415	1.6
137.06119	2.2
137.09743	19.6
137.99606	5.0
139.00394	5.0
139.04074	1.5
139.07701	4.9
141.09290	2.2
149.02480	1.4
149.06094	15.8
149.09721	1.8
151.04028	1.4
151.11276	3.6
153.01950	100.0
154.02705	6.3
155.10791	91.4
156.11156	2.1
163.07680	4.4
163.11281	2.6
165.01987	1.8
167.10750	1.9
168.04295	84.2
169.05058	7.4
169.12335	5.8
172.62904	1.5
177.09247	2.0
179.10764	10.3
181.08705	11.5
183.06644	44.1
191.10826	5.5
193.01483	1.9
195.10208	7.3
199.09772	77.8
200.10147	2.4
200.77127	1.4
213.11386	5.2
223.09810	4.6
225.11383	2.9
237.11253	2.8
241.10826	19.9
241.13127	2.0
247.06267	1.5
253.10876	6.4
255.12294	6.3
275.99615	1.2
283.11920	38.4
284.12506	2.1
317.06683	7.2
329.13922	13.9
343.14111	7.8
347.43442	1.3
373.09317	1.9
509.14645	9.6
527.21466	82.8
528.22131	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	527.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11546	0.4
55.01880	0.6
57.03446	2.0
58.00592	1.1
59.01382	24.4
60.99306	0.5
61.98825	1.5
67.01878	0.6
69.03452	1.0
71.01387	5.8
71.05052	0.4
71.28876	0.5
73.02952	8.5
80.96503	0.4
81.03465	0.6
83.01389	9.2
85.02971	2.8
87.04520	2.7
89.02462	1.0
90.52332	0.5
93.03480	1.1
95.01386	3.4
95.05051	1.0
97.02952	1.5
97.06613	2.5
99.00864	0.6
99.04533	0.6
101.02424	5.0
107.04995	0.5
108.02194	0.6
109.02944	0.7
109.06612	1.0
111.00880	2.0
113.02476	1.7
121.02975	2.3
123.00895	59.7
123.04508	2.2
124.01672	100.0
125.02486	13.4
125.06096	1.2
127.07676	0.5
136.01625	0.5
137.02458	1.7
137.06099	0.9
137.09731	0.8
137.99637	0.6
138.02235	0.9
138.03239	10.0
139.00482	2.0
139.04021	79.8
139.11296	20.3
140.04359	2.2
140.11664	0.7
149.02444	0.9
151.03976	0.7
151.11299	1.0
153.01921	0.9
155.19644	0.4
159.06665	1.2
161.04596	0.7
161.09705	0.5
163.11261	1.4
165.05634	0.7
165.09213	1.3
166.02858	0.5
167.10719	0.6
169.01370	0.6
169.12433	2.2
175.07614	0.5
178.02687	0.9
179.10759	1.8
181.05046	1.5
181.12349	7.4
183.10268	40.0
184.10603	1.8
193.05128	0.9
195.13863	0.9
197.11829	2.0
199.13435	1.1
203.14670	0.4
205.12463	0.5
207.10350	1.1
221.11784	0.8
223.06142	0.6
225.11324	19.7
226.11473	0.6
231.10318	1.1
239.12932	1.0
243.12347	12.2
244.12711	0.8
249.11365	2.0
263.12778	1.1
267.12326	2.9
275.09265	1.4
279.12366	0.5
283.08258	0.8
285.13495	1.2
291.12436	3.6
301.66992	0.5
309.13416	1.6
327.14551	4.2
369.15506	0.7
387.16568	2.7
427.61462	0.4
453.17401	0.6
467.19202	0.8
483.21320	0.5
509.20209	8.7
510.20517	0.9
527.21283	98.3
528.21777	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	527.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.4
59.01384	22.1
68.21470	0.7
68.72187	0.7
69.03447	1.1
69.33698	2.9
69.34108	1.6
71.01382	5.3
73.02952	8.2
83.01399	9.6
85.02924	1.7
87.00866	0.9
87.04522	2.5
89.02456	0.9
94.13881	0.7
95.01376	2.3
95.05020	0.9
97.02953	1.3
97.06590	1.3
101.02449	4.5
109.06571	0.8
111.00903	1.2
111.08160	0.9
113.02444	1.7
121.02964	1.0
123.00895	54.6
123.04470	1.1
124.01672	91.2
125.02512	13.2
128.58945	0.7
138.03226	9.8
139.04027	77.0
139.11295	17.8
140.04257	1.2
151.11270	1.0
161.04631	0.8
163.11269	2.3
165.09190	1.6
169.01439	0.9
169.12366	2.3
179.10806	2.4
181.05026	1.2
181.12381	6.0
183.10272	38.0
193.05028	0.7
197.11829	1.3
199.13197	0.8
205.12228	1.1
207.10225	1.2
225.11328	19.3
231.09996	1.1
243.12370	9.6
249.11284	2.2
267.12338	2.9
285.13434	1.3
291.12341	3.0
309.13306	1.1
316.13806	0.8
327.14496	4.2
387.16577	2.6
509.20297	9.2
523.38324	0.8
527.21344	100.0
528.21686	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.27
Annotation	Unknow
Peak:m/z	Relative Intensity
71.27717	2.2
71.89242	1.2
75.00874	12.8
99.92635	3.6
99.99760	1.2
115.92107	3.0
116.92905	4.8
118.79561	1.2
173.11945	1.4
189.33023	1.4
211.39908	1.3
251.23918	4.6
301.50052	1.4
407.33463	1.9
423.30121	1.5
453.33774	100.0
454.34000	9.3
469.35684	5.4
527.27374	54.7
527.36108	4.4
528.27771	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19501	0.4
51.94635	0.4
55.01879	0.9
57.03452	3.4
58.00606	1.1
59.01384	17.2
67.01899	1.9
67.70663	0.4
68.99828	2.3
69.03456	1.5
71.01386	21.9
71.28289	0.4
72.35040	0.4
72.52673	0.5
72.99315	8.5
73.02953	1.6
74.06593	0.4
75.00879	24.7
80.93607	0.4
81.03479	0.8
83.01398	1.0
83.05050	0.7
85.02957	27.9
87.00883	8.5
89.02455	4.1
91.04026	0.7
93.03480	1.0
93.15620	0.5
95.01404	7.2
95.05114	0.5
97.02962	0.5
99.00887	13.6
99.04529	0.4
101.02466	0.9
103.00391	3.2
109.02975	0.9
111.00906	1.2
111.04562	0.8
112.01704	0.6
113.02458	33.0
114.02803	0.4
115.00394	2.4
117.01944	3.7
117.11032	0.4
129.01955	2.0
133.05031	0.5
157.01457	1.4
165.09261	0.7
175.02524	4.6
181.08723	1.3
187.46149	0.4
189.04094	0.7
205.07178	1.8
209.08176	2.0
223.08208	0.8
231.05064	3.4
249.06157	27.3
250.06499	0.9
267.07199	4.7
275.20129	0.5
277.21732	96.3
278.22104	5.9
299.09106	1.0
423.18088	0.5
455.29422	0.5
467.26614	1.4
469.33258	2.2
509.27618	4.2
510.27536	0.6
517.96527	0.5
527.28510	100.0
528.20892	0.6
528.28839	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	527.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21942	1.3
57.03448	2.7
59.01382	18.7
61.98820	3.4
71.01383	13.9
72.99310	4.6
73.02944	1.8
75.00874	12.1
80.96503	1.6
83.05018	1.5
85.02952	11.4
87.00902	3.8
89.02477	2.9
95.01434	3.5
97.06591	2.0
99.00902	8.3
103.00368	2.0
108.43238	1.4
111.08147	1.6
113.02454	20.1
115.00385	1.9
115.92049	2.6
117.01921	2.9
125.08887	2.0
125.09722	12.6
129.02013	1.6
173.11734	1.9
175.02443	3.8
187.09740	4.9
205.07144	3.0
249.06213	4.7
261.13348	1.9
267.07245	4.9
277.21762	38.3
283.19171	3.9
285.20782	1.7
337.08170	1.7
455.30124	5.6
455.35681	3.5
465.33850	2.4
467.26852	1.9
469.33304	42.9
470.33646	4.7
481.33432	3.2
527.28119	100.0
527.35400	8.2
528.28339	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	527.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00471	1.3
57.03442	1.7
59.01385	18.8
63.79906	1.2
71.28212	2.2
75.00883	1.8
75.22620	1.3
83.05051	1.7
84.39190	1.3
97.06606	1.6
125.09731	6.3
133.29874	1.5
187.09798	3.0
277.21863	2.3
313.24030	1.5
385.21835	1.3
393.31702	1.6
407.33371	2.7
409.31018	3.3
421.31436	3.6
423.32709	56.8
424.33112	4.3
425.34323	7.2
469.33295	60.0
470.33615	5.4
481.33380	9.8
483.33521	2.8
509.32831	2.5
527.28333	100.0
528.28583	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	527.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64719	1.6
59.01363	7.6
70.97343	4.1
142.68571	1.9
154.30769	1.7
323.43362	2.0
423.32501	5.6
425.34381	2.2
469.33261	69.7
470.33456	5.5
481.33151	2.5
483.34857	4.3
483.97055	2.0
527.28809	100.0
528.29260	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	527.3387
Annotation	Sapelin E acetate
Peak:m/z	Relative Intensity
52.61824	0.7
54.59277	0.7
57.03473	0.8
59.01382	31.6
64.96937	0.7
69.18024	2.5
69.18434	2.9
75.00875	0.9
78.95901	0.8
83.05028	1.0
85.02974	0.8
96.96986	0.8
97.02918	1.0
99.00916	1.0
99.92564	0.7
109.88573	0.8
113.63729	0.7
115.92080	1.3
116.92924	1.1
125.09727	2.0
137.09706	0.8
149.52423	0.7
155.10834	0.8
163.11259	1.0
171.10213	0.9
181.08698	3.6
181.12325	4.2
207.10240	6.7
209.08325	1.0
217.10786	1.3
219.10249	2.6
221.19188	5.3
225.07901	0.9
225.11336	9.6
249.18466	1.5
254.07664	0.8
265.18112	3.1
265.79190	0.7
272.09494	0.9
275.09442	0.8
283.19165	6.1
301.20004	1.0
303.08701	2.7
391.26791	1.0
421.31152	29.9
421.36832	1.4
422.31650	2.4
423.33102	0.8
429.29526	1.2
439.32245	2.3
443.20880	0.9
446.96500	0.9
467.20694	0.8
467.31921	2.9
481.33307	17.6
482.33466	2.2
485.32922	1.6
509.31219	17.4
510.31989	2.2
527.19019	2.2
527.33789	100.0
528.34094	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	527.3378
Annotation	Sapelin E acetate
Peak:m/z	Relative Intensity
59.01368	2.0
61.98814	0.8
71.01367	1.0
71.28554	0.8
71.74628	0.4
72.99291	0.9
75.00878	50.2
78.98595	0.7
79.95737	1.1
80.96519	9.2
83.28957	0.5
85.02905	0.5
94.98094	1.9
101.66465	0.6
107.07479	0.5
118.09379	0.5
122.97550	0.5
123.08134	0.5
125.02457	0.5
125.09734	0.5
143.68713	0.5
148.99136	0.9
152.98659	0.6
162.85547	0.5
164.98578	1.7
181.08736	2.6
225.00693	1.6
303.12296	0.9
305.33432	0.5
313.23572	0.5
443.31622	1.5
451.32147	9.3
452.32382	0.9
453.33771	2.4
509.17929	0.6
510.21817	0.8
527.25635	14.4
527.33704	100.0
528.26880	0.9
528.34198	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09499	0.4
51.16074	0.4
54.06028	0.5
59.01383	35.8
62.36860	0.4
66.75225	0.4
67.74117	0.5
70.33756	1.1
70.34085	0.4
74.15472	0.4
74.90616	0.4
79.14706	0.4
134.87091	0.5
261.63309	0.5
274.74823	0.4
287.96881	0.4
307.41736	0.5
409.31201	1.7
467.31888	2.2
527.33856	100.0
528.34210	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	527.338
Annotation	Sapelin E acetate
Peak:m/z	Relative Intensity
59.01385	38.2
61.98850	0.7
64.51588	0.6
68.07653	0.6
68.80517	0.6
72.99314	0.9
104.24490	0.6
109.06709	0.7
111.04519	1.1
125.09718	2.8
144.44569	0.6
181.08711	1.8
187.09875	1.1
209.08148	0.7
213.11447	0.8
330.36407	0.7
391.26428	2.5
405.27829	1.5
421.31152	41.4
422.31531	3.4
439.32394	1.6
443.20581	0.7
467.31717	1.8
481.33231	23.8
482.33643	2.9
483.34613	0.7
509.31406	1.3
527.33844	100.0
528.34204	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3393
Annotation	Sapelin E acetate
Peak:m/z	Relative Intensity
51.57399	0.3
56.88144	0.3
62.75893	0.3
69.12449	0.9
69.12865	1.1
72.95290	0.3
72.99299	0.5
74.17760	0.3
181.08784	0.5
185.75365	0.3
191.06235	0.3
199.70975	0.3
209.08218	0.4
222.86993	0.3
326.12866	0.3
410.49466	0.3
443.20859	0.8
453.33667	0.6
527.33826	100.0
528.34198	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	527.338
Annotation	Grandifoliolenone
Peak:m/z	Relative Intensity
50.95079	1.2
52.65054	1.4
57.03433	2.0
57.97584	1.4
58.00589	1.3
58.85651	1.5
59.01383	68.5
60.99277	2.7
69.04066	13.8
83.05027	1.5
87.76411	1.4
97.06615	4.4
115.34566	1.3
123.08194	2.2
123.62942	1.6
125.09729	6.6
144.67130	1.4
151.07681	3.9
169.08722	13.3
169.32784	1.7
187.09694	1.9
331.24957	5.6
403.30347	3.6
419.29660	2.7
421.31253	5.4
437.30673	20.9
449.30814	3.2
455.31546	4.5
467.31760	13.5
481.29651	2.4
509.32764	42.1
510.33417	5.8
527.33679	100.0
528.34039	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	527.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51163	0.4
56.68483	0.4
72.99325	3.5
86.83440	0.4
130.89311	0.4
144.44890	0.4
150.43184	0.4
181.08662	0.9
217.27599	0.4
221.08261	0.4
291.12482	1.1
373.55151	0.4
383.15170	0.9
441.22604	0.9
453.33655	2.7
527.33838	100.0
528.34137	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3378
Annotation	Sapelin E acetate
Peak:m/z	Relative Intensity
53.65536	1.5
55.24787	1.6
57.15295	2.2
71.30080	2.0
84.08540	1.9
88.03194	1.9
103.45396	1.6
116.92911	1.6
169.87361	1.8
241.42946	1.8
453.33908	4.9
469.33463	6.7
500.35910	2.1
527.34039	100.0
528.34418	9.1
541.76422	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	528.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45457	1.7
59.01384	8.1
60.12690	1.9
61.98830	2.9
67.28339	1.7
69.06366	15.4
71.01393	3.1
84.98083	1.6
89.02455	3.9
93.72852	1.6
101.02464	2.7
143.44896	2.0
197.54251	1.8
234.42195	1.7
249.18614	100.0
250.18933	6.0
253.09334	19.1
528.33990	4.3
529.33752	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	5.5
70.92648	4.5
71.01377	2.3
75.00870	4.4
79.95746	2.3
80.96516	13.8
87.04527	3.8
94.57304	2.1
94.98114	3.1
105.29399	1.7
111.04521	2.1
111.79412	2.1
113.09711	10.6
125.09747	6.2
126.21005	2.1
150.21242	2.2
161.06068	4.6
164.98651	2.1
165.09180	2.5
181.05190	3.1
181.08727	100.0
187.09686	3.1
205.05052	6.3
209.08150	3.2
218.86308	2.1
223.06142	4.4
223.09738	3.1
225.07719	9.4
293.10342	20.7
430.85565	2.0
454.34177	3.4
501.34406	6.8
511.21152	3.3
528.25677	20.2
528.34113	28.7
529.23547	4.4
529.35034	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	528.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14089	2.6
57.03471	3.7
59.00760	3.1
59.01388	17.0
61.98836	10.0
69.74693	6.9
69.75066	5.5
76.15739	2.3
79.55247	2.4
88.00423	3.9
97.06579	4.5
122.66312	2.6
125.09732	3.0
181.11638	2.6
191.66628	2.7
232.73254	2.6
303.63998	3.0
343.21518	6.3
422.31421	3.9
439.32147	19.2
482.33682	8.9
485.33176	3.8
528.33649	100.0
529.35303	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	528.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	45.5
61.98817	14.5
63.23055	9.1
69.09821	35.0
69.10226	15.6
74.37403	7.7
86.49762	7.7
90.60468	9.4
97.84079	7.9
107.50447	7.7
125.09709	11.8
166.84622	9.7
339.60962	9.0
389.92462	10.5
422.07916	11.0
482.33524	15.8
528.34259	100.0
529.35876	78.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02979	44.8
55.68587	40.2
57.66587	44.2
59.01360	58.5
61.98824	100.0
65.95901	43.5
70.63750	81.4
72.21174	39.1
73.57077	38.2
529.34839	79.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91517	1.2
59.01373	6.2
61.98816	2.1
71.01387	2.6
71.29839	1.7
77.82091	1.4
78.95897	1.9
79.95731	8.7
85.02928	1.5
87.00901	2.4
93.03519	1.5
96.96026	13.5
97.02968	1.3
98.95616	12.0
98.96405	2.4
99.00890	3.4
99.92595	100.0
100.92628	2.7
100.93399	4.0
101.02432	1.6
108.02225	1.4
109.02981	2.7
113.02474	1.3
115.74635	1.2
115.92087	70.6
116.68378	1.1
116.92869	92.3
117.92872	3.3
121.02911	1.5
123.00920	3.0
123.04531	2.2
124.01735	1.5
125.02465	10.2
126.94952	2.5
136.34891	1.3
137.02464	2.4
139.00381	2.4
141.93649	5.5
142.94443	3.2
149.02451	3.1
151.04059	1.9
161.02437	2.3
163.04131	1.6
164.04826	3.4
165.05586	2.3
165.61244	1.3
167.03528	3.8
168.95959	1.8
169.01385	6.3
169.93025	1.5
170.93936	5.1
177.01865	1.6
179.07138	2.7
182.97633	1.5
184.95532	3.0
199.97867	1.8
205.05142	1.3
223.06129	2.3
226.96391	1.3
235.97882	4.4
242.96027	4.5
243.96803	1.7
244.97601	4.8
259.96167	2.3
261.97769	1.6
283.06348	1.6
303.03473	1.6
305.04935	4.7
331.06805	1.4
332.06689	1.6
333.04474	5.2
349.03909	4.6
351.05453	3.7
360.01733	1.9
447.43777	1.5
449.09213	2.4
469.13080	1.6
481.08099	2.4
493.07999	12.0
511.09177	2.3
529.10455	52.3
529.19250	10.6
529.26776	2.2
530.10553	5.4
535.86456	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26934	0.5
57.03454	11.1
59.01377	5.3
60.40742	0.7
61.91892	0.6
61.98830	3.9
69.03483	0.6
69.17612	2.5
69.18043	2.1
71.01375	2.4
73.02930	0.6
81.03460	1.5
83.01395	3.3
83.03149	0.5
86.90495	0.5
87.04504	1.8
89.02383	0.6
90.86488	0.6
92.89275	0.5
93.03478	1.1
95.05038	1.5
98.22554	1.3
101.02488	1.2
105.03483	4.2
107.01370	1.3
109.02962	2.5
109.23181	0.6
110.00092	0.8
111.00872	0.7
111.19334	0.7
113.02490	0.7
121.02979	2.3
123.00915	1.8
123.04515	0.7
124.01678	1.1
125.02459	100.0
126.02822	1.6
133.02980	1.8
135.04613	0.7
137.02458	7.7
137.99620	1.2
139.00403	1.0
139.04027	1.8
149.02464	2.0
150.03207	0.7
151.00436	0.8
151.04074	0.6
153.01947	17.3
158.72362	0.6
159.04535	0.6
161.02455	35.1
161.04613	2.1
162.02859	0.9
165.01897	0.8
165.05602	0.8
166.06366	3.4
167.03455	2.8
168.00719	1.0
168.04294	14.0
169.01442	22.1
170.01877	0.7
174.81187	0.6
175.04008	0.9
177.05586	2.6
179.03497	1.2
181.05109	1.3
181.08759	1.7
183.03047	1.1
183.04745	1.1
183.06596	8.8
197.06158	0.9
197.11800	5.5
199.04044	0.8
201.01944	0.8
201.05569	2.0
201.11311	4.3
219.06570	0.7
223.99350	0.6
225.05722	0.8
227.03543	1.9
229.01419	1.4
241.10796	11.8
241.13080	0.9
243.06599	1.3
269.04559	10.0
287.05661	8.9
305.06668	5.4
314.04352	0.8
329.02036	0.6
331.53854	0.7
347.07761	2.7
348.08124	0.6
362.18765	0.6
391.14114	2.4
400.85153	0.6
487.10446	0.8
494.40558	0.6
529.17401	12.5
530.17780	1.1
532.60626	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.7
57.03459	0.9
58.67733	0.6
59.01385	17.3
61.98822	1.4
61.99199	0.6
65.00327	0.8
71.01386	12.2
71.05020	4.4
71.29330	1.1
73.02966	2.1
78.39233	0.6
80.91685	3.8
83.01408	1.8
85.02936	3.1
87.00890	1.6
89.02454	10.9
95.01410	0.8
95.09521	0.5
96.97007	0.6
101.02451	9.3
107.01398	4.3
109.02913	0.9
111.00916	2.1
113.02482	3.7
116.44662	0.6
119.03484	4.2
121.03015	1.4
123.00894	3.7
123.04565	1.4
124.01701	2.7
125.02457	30.4
126.02825	0.8
127.00412	0.7
136.98811	1.1
137.02434	0.8
139.00363	3.7
139.04053	1.0
140.01161	4.0
143.03546	0.7
151.00351	5.1
151.04080	1.1
153.12869	2.5
154.02725	0.9
161.02470	0.7
161.04631	2.6
163.00427	1.3
164.31308	0.7
167.03505	2.9
168.00647	15.6
169.01439	37.2
170.01784	0.9
177.01924	1.1
178.99876	1.8
179.05655	4.0
183.03024	1.5
193.01448	0.7
197.11819	7.4
211.02481	60.6
212.02911	1.9
227.03523	0.7
241.03531	1.3
243.03026	1.9
245.04788	0.9
255.02963	6.5
268.81952	0.8
271.04672	100.0
272.05188	3.5
300.02765	19.2
301.00067	1.0
301.03516	14.8
302.03830	1.7
315.01495	0.7
331.06720	19.8
332.07135	0.7
336.99078	0.7
341.01569	2.0
377.18246	4.7
383.02689	4.7
392.47458	0.6
397.22543	1.8
405.40881	0.6
447.09378	27.9
448.09653	2.3
449.09491	1.2
529.19324	47.1
529.26636	6.6
530.19708	3.3
530.26526	0.8
540.68127	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.8
69.03069	3.8
69.03473	0.8
69.36458	0.5
69.36954	0.4
71.01357	0.6
80.79118	0.5
83.05035	5.0
149.06049	0.5
191.14415	10.0
197.02202	1.8
207.55185	0.5
211.87849	0.5
218.56668	0.4
227.69502	0.5
287.17401	0.6
287.20193	2.5
293.97934	0.5
300.25381	0.5
329.13913	0.8
331.19156	100.0
332.19485	6.6
340.54419	0.5
529.21375	4.6
529.29163	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	529.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57862	1.5
54.33582	1.5
59.01380	4.3
69.03440	2.6
69.24818	8.3
72.99313	4.3
75.00889	2.2
75.70949	1.6
85.06601	51.3
87.04491	2.4
91.05555	10.1
93.07099	12.5
98.22515	4.3
109.06569	2.1
111.04532	12.5
119.04166	2.2
119.05045	42.5
120.05248	2.0
133.06573	1.7
135.08185	42.4
136.08510	2.0
163.11296	8.7
181.08720	10.9
187.11304	2.7
205.12355	90.5
206.12773	4.0
235.13336	2.7
249.11343	19.0
293.10431	5.2
293.13931	4.7
361.20203	2.0
467.28931	2.2
473.03781	1.9
485.25638	2.9
485.32764	3.1
504.86935	1.7
511.34076	3.1
529.31689	100.0
530.32056	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	529.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81734	0.5
54.24229	0.5
61.93610	0.6
69.39727	2.9
79.68906	0.6
80.15095	0.6
85.06595	1.4
95.05020	4.1
97.02940	0.8
97.06587	0.7
99.48947	0.6
109.06614	1.7
111.04530	2.1
113.09753	4.1
118.56335	0.6
121.06571	0.6
123.08184	4.9
125.06102	5.2
138.03276	1.0
140.26332	0.5
141.09233	1.7
164.08382	0.8
165.01936	1.3
165.09250	1.6
166.02721	5.5
167.07137	3.8
179.10785	4.6
181.08713	21.6
182.09039	1.2
192.17294	0.6
207.06590	1.4
207.13959	0.9
208.07419	20.3
209.08205	9.5
219.06725	0.7
221.08058	0.8
223.09732	0.7
231.13959	1.4
247.09782	5.9
249.14952	3.1
262.12073	1.4
275.12909	2.8
279.12305	3.3
292.12674	1.2
293.13971	100.0
294.14374	5.2
328.10599	0.7
347.18625	13.6
347.22592	1.0
348.19006	1.0
529.28058	14.0
530.28375	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
60.92512	1.6
67.80196	1.5
69.58283	8.2
71.41457	1.8
79.83328	1.4
81.42954	1.6
93.54309	1.4
136.27571	1.5
143.56178	2.2
166.80081	1.5
187.47415	1.6
209.71240	1.6
311.19061	1.5
340.74612	1.8
455.35370	100.0
456.35712	7.2
520.02869	2.1
529.28558	51.1
529.35590	4.6
530.29095	6.6
530.36646	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	529.3028
Annotation	Kukoamine A
Peak:m/z	Relative Intensity
57.03450	2.4
59.01387	19.6
69.08057	18.2
71.01385	13.7
72.99296	5.7
75.00875	20.7
76.73627	2.0
84.02168	2.1
85.02969	18.9
87.00883	8.6
89.02473	3.0
95.01421	5.3
99.00876	10.4
113.02455	28.7
114.55363	2.1
115.74284	2.1
117.01984	2.3
125.79294	2.1
125.91907	2.2
129.01988	3.1
132.76442	2.2
175.02553	5.2
249.06192	23.9
267.07285	3.3
279.23306	100.0
280.23569	4.5
437.34283	2.8
455.34747	4.0
456.35587	2.2
457.35861	8.7
469.33270	3.6
501.34415	3.4
511.29456	4.4
529.30035	89.4
529.35986	39.4
530.29626	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.302
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	3.1
59.01381	55.8
69.03426	3.0
71.01393	24.4
71.30108	2.6
72.99267	5.3
75.00876	20.4
85.02956	34.0
86.43083	2.3
87.00819	10.3
89.02393	7.1
93.40332	2.2
95.01325	7.9
95.04997	2.6
97.06551	10.1
99.00880	15.0
103.00310	2.6
106.39596	2.0
113.02453	49.3
115.00319	2.7
116.04678	2.6
159.06483	9.2
173.11726	2.7
175.02415	3.1
205.06943	2.8
223.07877	2.9
249.06090	12.6
251.23805	5.1
255.23126	9.9
267.07288	11.7
279.23288	94.9
280.23410	7.2
281.70444	2.5
295.22610	2.6
313.23526	5.7
331.24661	2.2
363.37677	2.6
455.34140	7.7
457.35733	5.6
480.30646	4.8
511.27805	2.8
517.71613	2.5
529.29639	100.0
529.36774	6.0
530.29950	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	529.3042
Annotation	Kukoamine A
Peak:m/z	Relative Intensity
54.04590	1.2
59.01389	10.8
61.98820	1.3
69.00903	8.0
69.01324	3.4
77.85557	1.1
80.15404	1.0
83.05035	1.4
96.96025	9.2
111.08162	3.9
116.92856	1.9
122.19411	1.1
125.09725	5.5
128.60344	1.3
129.09253	3.5
142.32925	1.3
152.99541	1.9
173.08197	3.3
187.09821	2.0
357.91071	1.2
369.61868	1.2
417.21280	3.0
469.33276	3.9
471.34796	72.2
472.35248	5.6
485.32605	2.8
486.33295	1.2
529.30048	100.0
530.30493	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	529.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65037	0.9
59.01380	28.2
69.02617	3.8
69.03044	4.1
78.95874	1.4
83.04997	1.4
95.04977	1.7
96.95999	6.6
97.06606	5.6
108.19068	0.9
111.08149	2.1
123.08091	1.1
125.09724	5.4
143.10689	2.9
152.99545	1.1
173.08206	1.1
187.09676	3.2
194.89940	1.2
223.20567	1.1
261.13306	1.0
285.20578	1.3
303.55057	0.9
387.23685	1.1
390.76370	0.9
393.31613	1.1
407.32928	3.1
423.32825	2.2
451.31921	1.8
467.31262	1.8
469.32828	2.7
471.34799	72.5
472.35345	6.8
529.30170	100.0
530.30554	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	529.306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25496	0.9
57.03423	1.1
59.01384	20.9
67.17794	0.9
69.01277	5.9
69.01701	2.6
78.95830	1.1
95.05002	1.5
96.95979	3.2
97.06602	8.3
111.08141	2.0
123.08154	1.0
123.35139	1.0
125.09739	9.2
128.51253	1.0
143.10797	5.6
152.30191	1.0
152.99538	1.2
159.06555	3.9
173.08098	1.3
187.09785	4.6
194.89935	1.1
212.23599	1.0
223.20609	2.3
261.13177	2.0
267.19592	1.6
282.47290	1.0
285.20358	2.8
344.41690	1.0
352.53799	1.1
359.20636	2.0
387.23843	1.4
403.19589	1.1
403.50314	1.0
407.33020	2.3
423.32138	1.5
451.31757	2.2
467.31342	2.6
469.33261	1.6
471.34827	69.6
472.35190	6.9
529.30139	100.0
530.30505	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	529.3179
Annotation	Acinospesigenin B
Peak:m/z	Relative Intensity
54.05350	0.3
57.03455	1.7
57.15645	0.3
59.01375	1.0
68.13131	0.3
69.03456	0.7
69.66676	1.0
70.58841	0.3
71.01384	0.4
71.02399	0.3
71.05004	0.3
72.99314	3.8
75.00848	0.3
85.02952	0.4
85.06603	2.5
88.98807	0.3
93.07095	0.6
97.06576	0.3
97.51080	0.3
111.04533	1.1
113.09744	0.6
115.92060	0.4
116.35768	0.3
119.05042	2.7
125.09730	0.5
135.08165	1.9
138.03329	0.4
146.01355	0.3
165.09068	0.3
179.07098	0.4
181.08725	3.6
195.06688	0.6
205.12360	4.4
209.08174	0.8
249.11380	0.6
293.13950	1.5
357.28049	0.5
371.29425	0.6
371.73187	0.3
409.31525	0.3
455.31598	1.1
485.32889	2.8
486.33456	0.4
501.32852	0.3
529.31732	100.0
530.32025	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	529.3175
Annotation	Acinospesigenin B
Peak:m/z	Relative Intensity
57.03439	4.7
58.41441	2.3
59.01366	10.0
61.98819	3.4
69.03459	2.5
69.16164	5.4
69.16581	13.3
72.49317	2.6
76.05319	2.5
95.27940	2.4
106.32964	2.7
111.08143	3.2
112.48756	2.7
113.20529	2.8
117.50913	2.5
125.09705	4.5
187.09926	3.1
206.37564	3.2
315.19696	3.3
332.36969	2.9
386.34146	2.9
406.09186	3.0
411.32440	3.1
425.30994	6.2
439.32077	4.4
441.33856	33.5
442.34232	3.8
455.31650	51.1
457.33276	100.0
458.33289	6.3
483.31201	7.4
485.32874	55.6
486.32990	5.0
501.32437	7.9
529.32141	59.2
530.31958	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	529.3179
Annotation	Acinospesigenin B
Peak:m/z	Relative Intensity
57.03453	3.1
58.94806	0.5
59.01379	3.0
69.03451	0.8
71.01401	0.7
72.99310	7.4
75.00876	0.8
83.05032	1.0
95.05061	0.6
97.06602	1.9
99.00881	1.9
99.92597	7.3
100.93388	1.7
109.02974	0.5
111.04581	0.7
111.08141	0.8
113.09740	1.2
115.92091	20.9
116.92090	1.0
116.92848	1.4
123.08151	0.9
125.02451	1.1
125.09736	7.4
139.03931	0.7
143.07133	2.5
165.09312	0.8
173.11845	3.4
181.08737	4.5
183.06668	1.3
187.09885	1.6
195.06621	1.0
209.08247	2.3
219.10651	0.6
281.21252	0.7
293.10464	0.8
293.14017	1.8
302.99963	0.6
319.08282	0.7
331.25034	1.2
343.21252	11.3
344.21625	0.7
358.07068	0.8
375.49872	0.5
429.33804	0.8
455.31796	1.3
457.31876	1.5
485.33105	1.7
493.23834	0.9
511.21350	1.6
511.31799	0.9
514.20319	0.7
516.04889	0.7
529.22614	33.6
529.31738	100.0
530.22864	6.2
530.32098	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	529.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	3.4
59.01383	53.5
61.85748	1.9
61.98837	4.7
69.27390	13.0
80.92055	2.6
95.05022	2.5
96.96041	4.8
97.06625	11.7
98.22518	4.4
123.08188	4.7
125.09740	70.8
143.10759	3.0
171.41499	2.2
187.09772	67.2
223.20691	53.8
261.13458	22.6
267.19669	29.6
268.20020	4.1
285.20724	70.1
304.30524	2.7
358.18182	2.4
359.24219	11.5
425.34534	3.1
439.32047	9.4
443.35406	7.0
451.31665	2.8
469.33328	6.7
471.34811	91.3
472.35233	9.2
529.30701	100.0
530.31189	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	529.354
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39577	0.5
59.01380	6.2
61.98829	0.5
69.02588	3.5
72.99317	0.5
75.00880	0.7
85.79745	0.5
89.56036	0.5
91.64890	0.5
91.90579	0.5
98.22570	0.8
109.55537	0.5
111.11489	0.4
125.09747	0.7
150.63507	0.4
153.12891	3.6
154.13152	0.6
173.11870	1.7
197.11758	2.6
215.12851	4.0
231.01695	0.6
313.23874	1.4
331.24847	2.6
375.26392	0.5
393.31583	0.6
439.32153	23.7
440.32495	1.4
441.33606	1.8
469.33224	4.9
529.35486	100.0
530.35803	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	529.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79807	0.3
57.10571	0.3
59.01381	9.5
59.15471	0.3
61.98831	0.7
64.13344	0.3
71.05032	0.4
71.30068	0.3
73.02950	1.3
75.00906	0.3
83.05014	0.6
97.06607	0.3
131.64450	0.3
136.83089	0.3
138.84294	0.3
171.85794	0.3
172.78310	0.3
189.05911	0.3
243.91481	0.3
246.45903	0.3
269.32538	0.3
295.12335	0.3
391.30038	0.6
393.31793	0.4
409.31262	1.0
441.33890	0.8
469.33240	10.3
470.33783	1.1
471.30429	3.2
472.31119	0.5
485.32736	0.6
491.37521	0.4
511.34332	0.4
524.97632	0.3
529.28040	5.6
529.35394	100.0
530.27740	0.6
530.35791	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	529.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	7.6
61.98819	1.8
68.98565	8.6
98.21690	2.1
111.08176	1.6
116.92916	1.2
170.90567	1.1
215.12889	1.4
250.10318	1.0
340.90485	1.1
485.35934	1.1
487.34564	4.7
529.35522	100.0
530.35858	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	529.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72618	0.3
52.91329	0.4
54.36754	0.3
59.01381	5.4
69.11468	2.5
127.50266	0.3
131.04048	0.4
158.39865	0.4
163.11826	0.3
163.23857	0.3
167.28094	0.4
170.36362	0.4
217.11620	0.4
409.31424	0.9
439.32205	1.6
469.33286	5.9
470.33188	0.5
529.35370	100.0
530.35669	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	529.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10579	0.5
58.53170	0.7
59.01381	8.2
61.38872	0.7
61.98833	0.8
69.11800	4.5
74.49515	0.6
80.64983	0.6
83.69280	0.6
136.87497	0.6
149.05351	0.6
149.76759	0.6
262.13177	0.6
287.35803	0.6
409.31552	0.7
441.30090	0.6
469.33331	10.6
529.35425	100.0
530.35748	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	529.354
Annotation	Rubianol b
Peak:m/z	Relative Intensity
54.77240	0.6
59.01381	1.7
67.18480	0.6
67.76074	0.6
69.12262	3.5
69.12661	1.8
71.19270	0.5
72.99310	1.7
105.72256	0.6
155.04669	0.7
198.26149	0.6
249.06093	1.0
279.23322	2.7
343.18350	0.6
437.34250	9.4
438.34711	0.8
455.35303	1.8
529.35455	100.0
530.28760	1.0
530.35779	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	529.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62672	0.6
59.01385	41.6
60.99291	1.8
69.67952	2.3
69.68306	0.5
73.28176	0.7
75.00863	0.7
84.12979	0.8
89.47603	0.7
99.07202	0.6
170.80775	0.7
191.14348	0.8
312.45309	0.6
407.33417	0.8
409.31503	0.8
425.34482	1.2
433.31174	0.7
437.33832	0.7
441.33777	6.4
449.34271	7.7
450.34293	0.7
451.32352	2.4
465.33884	1.2
469.33182	1.4
481.33121	0.9
483.34869	19.0
483.41629	1.3
484.35208	1.8
495.34854	100.0
496.35144	9.3
501.34991	0.7
527.33765	1.5
529.28998	1.6
529.35724	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	529.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15113	1.0
56.83916	1.3
58.53744	1.0
59.01095	2.4
59.01385	41.0
60.30093	1.2
60.99303	2.2
70.66991	1.3
98.21723	2.2
126.63335	1.0
217.16043	1.1
239.71632	1.3
407.33368	1.6
441.33908	3.4
449.34479	7.7
450.34460	1.4
451.31924	2.8
464.15613	1.1
483.34830	15.7
495.34833	100.0
496.35193	9.6
527.33673	2.4
529.35846	6.9
542.09119	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3538
Annotation	Rubianol b
Peak:m/z	Relative Intensity
59.01136	0.6
59.01386	8.4
67.83092	0.6
68.99176	5.3
71.91128	0.5
72.99313	2.6
94.47984	0.5
116.12418	0.5
128.86246	0.5
179.94865	0.5
205.15984	4.6
224.79337	0.5
249.14961	1.0
251.16568	1.1
260.83163	0.5
272.32034	0.6
437.34381	9.6
455.35278	1.6
462.84067	0.7
465.34348	0.5
467.35425	7.6
468.35803	0.9
469.33282	1.6
511.34238	1.4
529.35413	100.0
530.35724	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	529.3542
Annotation	Rubianol b
Peak:m/z	Relative Intensity
57.03429	2.3
58.33823	1.4
59.01384	85.9
60.99302	3.5
61.98855	2.0
69.03471	2.0
69.05524	7.8
69.05933	2.9
71.01405	1.6
72.99306	1.7
83.05042	3.6
85.02935	2.1
89.50638	1.4
97.06593	3.9
99.00888	2.0
99.92592	1.7
100.93389	2.2
107.37514	1.4
111.08172	2.6
113.09724	2.2
115.92090	24.7
116.92886	2.5
125.09727	3.5
127.37836	1.5
137.06004	1.7
173.11847	2.9
177.00500	1.7
181.08661	9.0
183.06633	5.2
187.09703	2.7
191.14427	2.4
195.06627	2.6
215.12979	2.1
265.10605	2.2
285.20639	1.7
313.24155	1.8
331.25006	5.4
387.83798	1.7
389.28543	2.1
405.31775	4.7
406.28915	2.1
421.31100	4.8
423.32874	5.4
439.32202	37.7
440.32321	2.8
451.32077	4.2
457.32501	5.7
469.33203	20.7
470.33420	2.0
511.20483	3.9
511.34283	70.1
512.34485	8.2
529.21594	6.8
529.35742	100.0
530.36194	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	529.354
Annotation	Rubianol b
Peak:m/z	Relative Intensity
56.15520	1.2
57.03483	1.5
59.01385	20.9
61.98841	2.8
69.71720	6.4
72.99306	1.2
75.52444	1.3
77.49383	1.2
97.06596	3.1
98.21862	2.5
103.11665	1.4
103.25170	1.2
123.08159	1.9
125.09734	21.3
149.71907	1.1
187.09785	26.0
208.17773	1.4
293.21405	2.3
341.19669	3.9
343.21420	2.0
425.34543	1.5
439.32129	3.3
457.33447	2.5
469.33191	4.3
483.35083	2.9
485.36966	8.6
487.34528	5.5
511.34515	8.0
529.35559	100.0
530.35999	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	529.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16624	0.5
56.64325	0.6
56.83959	0.5
57.03447	1.1
58.64508	0.6
59.01388	6.7
61.98865	0.6
62.38087	0.5
69.03472	0.9
70.09976	0.5
71.01388	0.8
71.05032	0.9
75.00898	1.0
80.96516	1.0
82.96145	0.7
83.05030	0.7
85.02997	0.8
85.06596	1.1
87.00892	1.8
87.04541	1.6
95.05070	1.9
97.06597	3.3
98.21806	1.3
107.29876	0.5
108.60857	0.6
109.03005	1.0
109.06596	0.8
109.60326	0.5
111.04562	1.8
113.02496	1.6
113.09731	4.5
123.04549	1.1
123.08199	2.0
125.02492	1.5
125.06138	0.9
125.09736	15.3
125.10625	0.8
137.02547	0.8
139.04044	1.5
153.01999	1.3
154.02829	1.1
163.04045	0.8
165.09290	2.5
166.06383	0.8
169.05109	2.8
174.25847	0.5
179.07178	1.4
179.10829	1.3
181.05203	1.1
181.08719	32.5
182.09096	1.1
183.06651	2.9
187.09769	6.9
197.08311	1.8
199.16336	0.7
203.03439	0.8
205.05113	0.9
207.06709	0.9
209.08192	8.3
221.08315	0.7
222.00412	0.5
223.06201	2.4
223.09767	4.6
225.07715	7.0
235.13536	0.6
237.07878	0.7
261.11523	0.7
265.07294	0.8
268.80707	0.7
293.07144	0.8
293.10294	8.7
295.22946	0.6
313.23840	2.8
331.24979	3.8
345.13730	0.7
391.29758	0.6
405.31699	1.1
407.33405	1.5
439.32626	1.0
451.32468	1.5
453.17609	2.0
453.33826	13.8
454.34509	1.0
469.33405	1.0
471.34937	2.1
483.20282	1.2
483.33319	4.4
485.18640	1.2
501.34332	14.9
502.34821	1.7
511.21484	5.7
511.34671	1.9
512.21802	0.9
529.35669	100.0
530.35999	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	530.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81673	2.0
57.03422	2.0
59.01387	2.3
61.98837	44.2
62.04621	1.8
69.10340	1.9
71.01377	3.8
81.03456	2.2
81.96719	1.8
83.01408	3.1
88.98737	2.0
96.95998	3.4
107.01392	6.4
109.02979	3.7
111.00826	3.4
113.02448	2.4
119.55906	1.9
123.00925	20.4
124.01723	2.5
125.02461	43.6
136.98805	2.2
137.02406	3.8
138.03226	10.8
139.00359	6.3
139.04089	2.7
140.01183	4.9
149.02531	2.3
151.00388	8.8
151.04155	2.9
161.02444	3.9
161.06174	2.1
165.01956	3.5
167.03462	2.7
168.00673	5.4
169.01442	40.8
170.01741	2.8
175.03889	2.2
177.01938	2.9
183.03049	4.4
199.09711	2.4
211.02510	3.3
243.06709	2.1
271.04526	3.3
300.99850	5.6
313.05670	10.0
467.11951	100.0
468.12610	4.4
527.19836	2.2
531.17694	9.4
548.97034	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27053	1.2
53.07503	1.4
59.01371	4.2
61.98841	15.1
71.01386	4.2
89.90628	1.6
91.84623	1.3
95.01375	2.1
98.22645	2.5
101.02457	2.6
101.63052	1.5
107.01380	1.8
109.02992	2.3
113.02465	2.6
123.00928	9.1
125.02458	12.3
139.00365	2.7
140.01151	2.1
144.30276	1.4
151.00385	7.4
152.01141	2.2
153.01964	1.3
168.00645	2.5
169.01433	12.8
201.54747	1.5
211.02466	5.6
271.04669	3.3
272.63962	1.7
278.38577	1.5
278.67685	1.4
343.91840	1.7
467.19260	100.0
468.19839	7.4
508.08826	1.6
531.18475	3.4
531.28741	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40446	1.9
59.01365	10.8
61.98810	3.4
69.07557	11.3
69.07979	4.2
71.01379	3.3
72.99317	2.7
75.00871	3.4
81.37490	1.9
86.42291	1.9
93.66586	1.8
96.75621	2.7
98.22561	3.1
123.82923	1.8
140.82567	1.9
235.08321	2.0
251.20175	100.0
252.20413	5.3
253.09337	17.9
346.22296	2.0
365.82837	2.1
402.56155	2.5
487.34320	43.5
488.34882	4.6
529.35291	3.1
530.28540	2.2
530.36163	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93460	6.7
59.01385	24.5
60.50651	4.9
61.98829	18.8
69.21874	9.2
69.22283	23.7
74.43321	5.0
78.95886	7.0
80.43240	4.8
88.12265	5.7
108.26104	5.0
138.02477	5.5
144.86000	5.1
164.80650	5.4
171.73804	6.8
196.89467	14.4
215.20222	6.2
215.96371	6.5
245.44237	5.2
264.36670	5.8
471.35019	11.0
472.35153	40.2
474.41229	6.5
512.36230	5.5
530.29785	32.6
530.35590	100.0
531.30670	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	530.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19906	8.6
57.14004	8.5
59.01380	24.9
60.34846	10.2
69.05196	66.3
72.23807	9.3
75.79507	9.6
78.95926	10.0
84.13726	8.6
105.18845	10.3
115.95575	9.9
191.14476	10.8
196.89517	26.3
405.36166	9.2
409.30875	11.3
471.34653	15.8
472.35016	52.2
485.32178	10.9
487.34583	22.7
530.30084	100.0
531.32050	54.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13512	27.9
59.01364	70.7
61.98816	49.7
69.17619	91.4
69.18043	99.7
69.91818	27.5
75.58533	30.3
78.90648	27.9
83.88045	28.6
94.96686	26.0
97.22091	30.4
109.00867	34.3
116.54306	27.6
132.90984	30.6
164.26146	28.9
224.47775	27.5
530.34943	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	530.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	47.4
61.98830	69.0
62.14503	13.1
69.76030	51.4
75.00858	24.1
97.06601	17.9
98.21892	17.8
99.00886	17.3
99.28719	14.2
125.09679	36.0
138.39177	15.0
234.03479	17.4
262.28580	15.9
287.22223	26.3
313.82535	16.3
473.32770	49.9
530.34222	65.6
531.28021	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1299
Annotation	Trichotomine
Peak:m/z	Relative Intensity
57.03447	3.2
61.98822	4.5
67.37215	1.2
69.74545	4.8
71.01357	1.6
82.60973	1.3
83.01393	6.2
93.03490	2.2
97.02962	3.3
108.02179	6.8
109.02961	16.5
121.02957	4.7
122.03736	5.3
123.00860	2.3
123.04566	6.6
124.01730	1.4
125.02456	32.6
127.04093	1.6
135.04544	4.7
136.01695	4.6
137.01465	2.3
137.02457	31.1
138.03236	1.9
139.04005	3.1
143.05045	1.8
143.89409	1.2
145.02972	1.6
146.03709	2.5
147.04503	4.3
149.02441	5.2
151.04025	3.3
153.01974	5.0
154.02805	1.4
159.04514	6.9
160.04039	1.5
161.02490	8.7
161.06088	3.4
163.00395	1.5
163.04033	3.9
164.01161	5.7
165.01942	30.1
166.02368	1.7
169.01427	3.5
173.06032	1.7
174.03377	2.6
175.03993	4.7
177.05551	2.0
179.03487	5.4
183.94150	1.2
185.06078	2.2
187.04013	2.5
189.05554	3.5
192.99818	1.6
197.06068	2.7
199.03975	1.5
201.05565	5.0
203.07143	3.1
205.05042	7.6
209.06097	1.5
211.04103	1.9
212.04764	2.0
213.05618	5.5
214.02682	1.2
215.03558	5.3
215.07051	1.7
225.05614	3.6
227.03554	1.5
227.07130	5.0
229.04959	3.0
231.03018	3.8
237.05600	2.6
239.07112	3.1
241.02969	1.3
241.05028	8.5
243.06581	9.7
245.04778	1.4
245.08298	1.4
247.06088	5.9
253.05077	3.1
254.05896	1.9
255.06688	9.2
257.04590	2.6
258.05112	1.4
263.07172	2.0
265.05115	5.2
266.05869	3.6
267.06491	2.4
269.04544	3.8
276.10477	1.3
279.06631	3.3
280.07257	2.0
281.05051	2.1
281.08215	10.8
282.05270	4.8
283.02951	2.9
283.06122	56.6
284.06598	3.7
285.03766	1.4
287.05792	2.4
288.06442	2.0
289.07175	8.3
291.06638	1.9
293.08121	3.0
295.06137	1.6
299.05417	1.3
299.09402	1.5
307.06033	2.2
309.04160	1.3
319.06052	2.0
321.07794	2.4
323.09442	1.6
325.07327	9.3
335.09097	1.7
337.07236	1.5
361.07281	1.9
363.08694	2.1
367.08188	9.7
369.09778	2.1
379.08209	44.9
380.08649	3.0
407.07715	2.0
421.09399	8.6
449.11227	7.6
469.12943	1.6
487.13919	7.2
513.11969	4.2
531.13007	100.0
531.29419	4.4
532.13385	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	531.1301
Annotation	Trichotomine
Peak:m/z	Relative Intensity
50.57857	1.1
57.03443	2.7
69.00607	9.7
71.01379	1.4
77.20108	1.1
78.91890	6.5
83.01395	3.6
84.17255	1.1
88.59000	1.1
88.98801	5.3
93.03472	3.6
95.05038	1.8
97.02960	3.8
100.55061	1.2
108.02202	3.6
109.02952	10.8
121.02962	5.4
122.03768	6.5
123.04525	7.2
124.01659	2.1
125.02462	35.8
126.02782	1.5
135.04552	6.2
136.01701	3.7
137.02454	25.9
138.03185	1.5
139.04013	2.6
146.03746	3.5
147.04535	2.8
149.02454	6.4
150.03259	1.3
151.04010	3.0
159.04489	4.4
161.02460	10.3
161.06076	4.8
163.00365	1.7
163.03996	3.4
164.01144	5.5
165.01941	31.8
169.01451	6.7
172.05304	1.4
173.06042	3.3
174.03218	4.0
175.04019	4.4
177.05646	1.3
179.03458	3.9
185.06161	2.3
187.04013	3.4
189.01949	1.9
189.05576	3.6
196.05304	1.3
197.06088	2.1
199.04036	2.9
201.05573	3.4
203.07076	2.9
205.05017	8.0
209.05994	1.9
211.04060	1.7
211.07434	1.5
212.04820	1.4
213.05583	4.5
215.03537	4.1
215.07086	2.8
221.06070	1.5
225.05573	1.5
227.07179	4.9
229.04982	2.5
231.02963	4.7
237.05527	2.2
238.06354	1.9
239.07161	4.1
241.05118	7.7
243.06599	9.0
245.04488	1.5
245.08209	1.4
247.06049	6.9
253.05067	2.7
255.06671	9.1
257.04550	2.5
263.07193	1.3
265.05084	5.8
266.05887	2.9
267.06647	4.3
269.04596	2.5
279.06735	1.7
281.04904	2.6
281.08197	6.9
282.05374	4.1
283.06149	59.5
284.06354	2.9
287.05569	3.5
288.06476	2.8
289.07294	8.9
297.07700	1.8
307.06195	3.3
312.06528	1.7
317.08267	1.3
321.07748	1.5
323.09259	1.5
325.07132	10.5
363.09103	1.7
367.08215	6.5
369.09790	2.2
379.08240	29.0
380.08432	2.1
407.07535	1.6
409.09360	2.9
421.09430	10.8
463.13718	1.6
487.14038	8.3
513.11774	4.2
531.13013	100.0
532.13452	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79909	0.3
58.50188	0.3
59.01372	0.9
61.98821	0.4
65.00298	0.5
69.15484	2.2
71.05015	0.5
71.32776	0.3
71.90164	0.3
74.41428	0.3
87.05611	0.4
91.01875	0.4
93.03432	0.4
98.21776	0.7
109.02934	0.4
119.05119	0.3
123.04517	0.3
125.02461	0.8
127.45856	0.3
133.02959	0.3
134.78056	0.3
135.04486	0.7
137.02461	0.4
143.05043	3.9
146.08188	1.6
153.75751	0.3
164.03572	0.4
165.07144	0.4
167.03596	0.5
167.05029	8.4
169.06601	2.1
179.03452	0.4
180.05826	4.4
181.06596	3.9
183.04501	2.8
183.08139	0.5
185.06046	1.5
195.04553	0.5
196.05226	0.4
197.06075	3.4
208.05296	5.0
209.06094	16.3
210.06532	0.4
210.30800	0.3
211.04050	2.6
224.04787	1.2
225.05583	9.0
226.05855	0.5
227.07132	5.5
235.03970	0.6
243.06520	0.4
252.04269	0.9
253.05074	100.0
254.05431	4.0
270.07666	1.2
271.06110	6.8
272.06415	0.6
277.12247	1.5
330.07922	0.8
331.19092	0.5
401.11783	0.9
409.50403	0.3
487.30621	1.3
489.75629	0.3
531.11029	0.4
531.18262	1.2
531.29614	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95312	1.0
57.03447	18.3
59.01383	19.6
61.98830	7.8
69.03452	1.0
69.11784	4.2
69.12218	3.7
71.01378	6.6
73.02959	2.9
78.76555	1.0
81.03465	2.3
82.95451	1.2
83.01397	5.2
85.02964	2.9
85.03729	1.0
87.00927	1.1
89.02447	3.5
93.03453	1.4
93.13313	1.1
94.87774	0.9
95.05048	2.9
96.96046	1.8
98.21789	2.3
99.00880	2.2
99.29573	0.9
101.02442	6.3
105.03471	5.8
108.02191	1.0
109.02969	2.6
111.00888	3.0
113.02486	2.8
119.03547	1.7
121.02963	3.8
123.00880	2.1
123.04511	1.2
125.02453	100.0
126.02836	2.2
131.03487	1.0
137.02457	9.1
139.00404	1.1
139.04019	2.4
139.11313	9.6
145.02980	1.3
145.06639	1.5
149.02443	6.2
149.06078	1.6
151.00339	1.4
151.03998	1.6
153.01945	1.8
160.41826	1.1
161.02452	47.2
161.04620	2.2
162.02812	1.0
164.04895	1.2
165.01953	1.2
167.03491	1.9
169.01456	2.2
175.10457	1.1
177.01950	1.6
177.05576	4.3
181.12331	5.9
183.10289	11.8
189.01974	1.7
197.06082	1.6
199.04182	0.9
199.13391	3.2
201.05652	2.7
213.05640	1.3
219.06676	1.3
225.05548	2.1
225.11244	2.2
227.03500	3.4
229.01364	2.9
243.12376	82.8
244.12706	3.2
269.04559	17.0
287.05630	12.0
288.05759	1.2
341.06552	5.2
393.15668	2.7
468.19324	1.1
495.13034	2.7
531.18182	1.7
531.25073	4.2
531.30072	1.5
544.85583	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62052	1.7
57.03446	1.8
58.00605	4.2
59.01382	100.0
61.98852	2.5
69.03462	5.7
69.16803	6.9
69.17226	4.7
71.01387	49.2
72.99307	3.1
73.02950	21.8
75.00877	2.3
81.03468	5.0
82.41924	1.5
83.01399	5.1
85.02959	18.7
87.00871	3.1
89.02450	33.0
95.01386	1.9
97.02973	6.4
97.09241	1.5
98.22591	2.8
101.02452	29.7
103.04023	29.5
113.02442	3.4
117.76883	1.7
119.03528	14.5
125.02440	35.1
127.04048	4.0
131.03560	2.5
135.89749	1.7
143.03534	3.4
145.05081	5.1
148.05338	31.4
151.44154	1.8
160.04048	4.2
163.06140	30.4
163.07664	15.6
205.07237	3.5
247.08278	7.2
268.75510	1.8
307.10474	17.4
383.29636	2.1
397.95712	1.9
402.82202	1.8
437.30795	2.9
462.38916	1.8
471.31219	2.9
503.33914	28.4
504.34018	4.0
531.20795	2.3
531.33374	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	531.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.6
65.55183	1.9
70.22185	2.2
71.28159	2.7
85.02943	6.8
85.06613	6.4
87.04507	7.6
95.01373	4.7
95.05039	8.1
96.96030	3.2
99.08150	2.1
111.04526	29.8
111.08142	2.6
113.02470	9.9
115.98618	2.2
121.02923	2.9
121.06564	1.8
123.04530	2.2
123.08188	3.0
125.02490	2.3
125.06086	14.2
137.09772	2.7
138.03114	2.6
139.04027	11.0
139.07620	2.8
142.60164	2.2
151.07602	2.3
152.38242	1.8
163.07722	4.4
165.01962	3.2
165.05592	5.9
165.09207	6.0
166.06349	2.7
167.07108	2.6
179.07076	6.3
179.10783	21.0
181.08736	13.6
183.06610	35.6
193.08687	4.0
195.06639	5.5
207.06630	38.6
209.08232	18.6
219.02989	3.1
223.09761	74.4
225.07684	100.0
226.08113	3.4
235.09717	4.3
237.07765	7.1
239.09279	6.5
262.08429	22.2
263.12933	2.4
264.16208	2.3
265.10727	2.7
275.09305	6.9
276.10150	3.0
289.10815	3.0
295.12000	9.2
305.13934	34.9
307.11887	40.4
307.15244	3.1
308.12039	2.3
309.13681	2.3
325.07257	2.5
331.11942	2.2
347.14993	2.4
382.14343	7.2
383.14972	14.9
425.16013	56.3
426.16714	4.7
453.19269	6.0
471.20285	5.0
513.21423	27.3
514.22003	3.0
531.22168	17.1
544.58966	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	2.0
71.04996	1.2
74.57555	1.0
79.01909	2.1
95.05034	5.5
97.02950	2.5
99.08139	2.2
99.25639	1.1
123.08159	1.6
125.06100	5.5
137.09793	2.5
139.03995	9.9
165.01901	1.9
178.10408	1.0
179.07155	1.2
179.10779	22.5
181.08733	4.6
197.08185	4.0
201.11534	1.3
203.03435	1.2
205.08722	2.8
221.08150	6.2
223.09761	100.0
224.10052	4.1
238.28511	1.1
239.09247	32.5
247.13388	1.5
265.14478	8.2
289.14371	1.7
291.16122	8.7
307.15518	63.4
308.15762	2.6
432.58096	1.1
500.47626	1.1
531.25653	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21828	1.1
52.22333	1.2
59.01366	1.4
63.02387	1.5
65.30841	1.2
66.13657	1.2
69.07050	7.4
69.07455	2.4
75.86703	1.3
81.46991	1.5
82.51798	1.1
87.04519	11.7
95.01376	1.6
107.01374	1.6
109.02947	5.3
109.77418	1.3
111.00932	1.3
113.09724	8.8
124.01672	28.3
125.02459	7.3
132.53394	1.3
135.00923	6.0
137.02403	3.0
151.07628	1.9
153.01988	11.7
179.07149	36.3
180.07401	1.6
181.07124	2.3
181.08722	41.6
182.08995	1.7
207.06636	100.0
208.06996	4.3
223.06136	21.6
261.40100	1.2
295.11865	79.1
296.12076	2.4
320.18900	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.297
Annotation	Ganoderic acid G
Peak:m/z	Relative Intensity
57.03453	3.8
59.01383	36.5
61.92208	2.8
61.98840	9.0
69.10183	9.5
69.10608	11.1
71.01382	4.7
73.02962	4.0
83.05072	3.0
83.47949	2.9
86.99795	2.6
95.05041	5.3
97.06614	12.3
111.08183	4.7
115.07699	3.4
125.09738	3.2
127.94647	2.8
130.20439	2.8
137.13060	3.1
159.06653	10.3
163.34154	2.9
173.08226	5.7
185.05673	3.6
200.91934	2.9
218.62117	3.1
257.39999	2.9
285.18024	3.3
331.24948	3.8
345.23276	3.6
397.31308	5.8
399.32687	15.4
413.30618	7.9
415.32184	24.2
441.30289	3.8
443.31607	36.1
457.29684	43.5
459.31204	84.7
460.31894	5.2
487.30664	57.4
488.31052	4.0
503.30725	4.9
531.29828	100.0
532.29913	9.4
537.18347	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	531.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55409	2.2
55.01843	2.5
57.03437	3.6
59.01374	14.2
69.12099	15.1
69.12508	5.2
70.96643	2.2
71.01385	14.3
72.99282	5.6
75.00880	15.2
85.02956	19.9
85.06648	2.3
87.00893	5.8
87.04516	5.6
95.01400	4.7
97.17858	2.3
98.22532	5.2
99.00899	7.9
100.80428	2.5
109.06570	3.1
111.04530	11.4
113.02465	23.4
117.01976	3.2
125.06084	6.8
139.07680	2.3
143.10777	3.5
165.09172	3.9
175.02516	3.3
181.08730	13.9
193.05116	4.1
195.06660	5.2
207.06648	7.3
207.13875	4.2
209.08203	20.0
211.06064	2.9
221.04601	3.3
221.08150	5.6
223.09818	4.4
225.07590	5.3
233.08255	2.6
235.06149	9.1
249.06052	16.7
251.12865	6.0
263.12967	3.3
267.07376	4.1
277.10730	2.5
281.10358	13.7
281.24875	100.0
282.25177	3.3
287.93127	2.2
295.08289	6.8
295.11948	29.3
296.12073	2.8
306.39459	2.2
321.13486	5.6
349.16699	7.2
448.41675	2.5
459.35800	2.6
513.30450	4.2
531.31903	96.1
532.32190	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	531.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60322	3.0
57.03438	7.8
59.01371	19.7
59.99093	3.2
62.56562	3.8
63.11328	3.0
71.01389	20.0
71.28070	5.0
72.99306	5.1
75.00877	18.9
85.02953	20.5
87.00878	6.2
87.04526	10.4
89.02462	4.3
95.01434	4.9
99.00903	11.9
111.04525	5.7
113.02448	34.9
113.09735	4.1
117.02006	5.7
125.06075	4.1
165.09222	4.1
174.76152	3.6
175.02448	6.6
179.07240	3.4
181.08755	14.3
183.06679	3.7
191.07138	4.1
195.06635	4.4
207.06638	30.8
208.14323	3.7
209.08206	16.4
221.08295	8.1
223.09778	9.4
225.07689	10.7
239.09406	5.0
249.06151	7.8
267.07162	10.0
281.24878	74.9
295.11829	24.5
307.12061	4.4
321.13513	5.4
349.16525	4.6
415.65421	3.4
513.30249	4.6
531.25403	5.8
531.31934	100.0
532.32013	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	531.3331
Annotation	Quadrangularic acid G
Peak:m/z	Relative Intensity
57.03442	1.8
59.01388	4.5
61.98822	2.1
69.03440	1.0
69.45964	2.4
71.01373	0.5
72.99314	7.6
94.02880	0.5
104.28021	0.6
125.09763	0.7
141.36667	0.6
143.91084	0.6
190.48984	0.6
215.71300	0.6
295.49405	0.7
366.80237	0.6
395.33276	1.5
439.32217	11.3
440.32562	0.8
441.33563	0.6
457.33609	1.5
472.31342	0.6
487.34680	1.3
513.32300	0.9
531.33405	100.0
532.33716	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36556	0.7
57.03461	3.3
59.01383	9.2
61.98836	2.1
70.38332	1.1
70.38665	1.8
71.01398	1.1
71.05059	1.0
72.99328	1.0
73.02945	1.2
83.05061	1.3
87.04545	1.1
92.30793	0.8
95.05067	0.9
96.60712	0.8
97.06629	2.6
98.21824	1.0
108.70461	0.8
111.04555	1.8
111.08234	1.4
111.64103	0.8
112.86940	0.9
123.08176	1.6
125.02487	1.5
125.06114	1.0
125.09747	10.3
127.11359	2.5
137.09798	2.1
139.04083	0.9
141.09430	0.8
144.01414	0.9
149.09729	0.9
153.09314	1.7
155.10791	22.5
157.12389	1.1
171.10277	36.0
172.10736	1.4
173.11827	1.1
179.07182	1.2
181.08673	5.6
183.06676	1.4
187.09865	1.6
189.12906	1.3
199.09856	1.5
201.11415	2.1
209.08302	3.5
217.10783	8.6
220.93282	0.9
225.07733	1.1
233.40837	0.9
239.09230	0.9
295.15765	1.3
295.22952	0.9
311.05585	0.9
312.06250	1.9
313.23932	4.0
326.08047	1.0
327.08368	1.0
329.23550	1.9
331.24942	15.0
331.28418	1.1
341.10507	1.2
342.10950	2.8
391.69574	1.0
443.31784	1.4
465.24954	1.2
469.29651	1.1
473.33029	3.5
487.30762	1.6
499.32813	1.2
503.35309	2.6
531.35638	100.0
532.35901	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	531.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03682	0.9
58.36103	0.7
59.01382	100.0
60.01683	0.9
71.28487	1.4
74.58773	0.8
80.64502	0.8
87.04516	1.6
95.05073	0.9
109.02975	1.1
111.04533	3.3
120.27535	0.9
125.06104	1.1
139.03976	1.2
163.07716	1.5
163.71390	0.9
165.09233	2.2
181.08752	3.3
183.06668	1.8
189.77843	0.8
192.44614	0.9
207.06650	16.7
209.08151	8.0
223.09839	2.0
225.07712	4.0
237.07718	1.3
239.09244	1.3
248.06926	1.1
261.11292	1.0
262.08456	1.2
295.11862	1.8
305.13873	2.1
321.13333	2.2
513.21021	1.3
531.26093	1.1
531.37183	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.074
Annotation	Unknow
Peak:m/z	Relative Intensity
57.77459	1.1
59.01364	2.8
61.98833	2.8
69.18012	7.6
71.01361	1.8
83.73743	1.2
89.02431	1.2
96.96030	2.6
101.02473	1.1
104.54556	1.3
125.02488	2.0
132.02194	1.7
135.64569	1.0
148.05298	1.6
156.02203	2.4
172.01727	1.5
184.01711	3.1
200.01247	3.1
212.01308	2.0
228.00644	1.9
240.00568	7.7
253.79948	1.2
256.00162	1.9
256.79453	1.3
281.00974	1.7
283.99655	9.2
311.99139	65.6
312.99774	9.6
324.99835	1.4
327.01480	100.0
328.01886	6.1
336.96210	1.2
337.00024	4.2
387.16711	1.3
407.50046	1.2
544.73657	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74931	2.6
55.80058	2.4
59.01384	6.7
68.98862	2.6
68.99141	26.4
71.01401	7.9
85.02951	3.3
89.02482	6.5
98.21789	5.3
118.34989	2.7
135.00876	4.2
149.02521	3.3
151.00366	4.9
151.07669	3.9
175.04074	4.2
177.01941	3.6
195.06628	21.9
200.94820	2.9
219.06671	3.1
224.04811	2.9
268.03821	7.8
269.04581	5.7
283.06140	57.2
297.04108	34.8
298.04227	3.3
301.03854	2.8
311.05643	96.0
312.06354	65.1
313.06567	6.9
323.85913	3.1
326.07983	92.2
327.08719	100.0
328.09232	5.1
339.08768	16.9
489.14050	86.8
490.14529	9.4
532.30267	5.1
533.30432	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	532.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	5.0
64.55437	1.4
69.13374	6.0
69.13799	3.8
71.01360	1.4
85.02950	1.7
101.02439	2.3
105.29305	1.3
119.51576	1.4
133.08888	1.6
149.06056	1.8
153.90800	1.7
225.07774	1.5
233.21472	1.4
269.04565	32.6
284.07004	2.8
297.04062	19.5
312.06415	70.9
313.06873	4.4
327.08752	100.0
328.09052	5.7
460.68991	1.5
488.30374	1.7
531.29596	1.6
532.29718	5.4
533.31079	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	532.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.8
59.01386	8.0
61.98832	1.9
68.98801	2.0
68.99216	4.8
71.01387	28.7
71.05022	4.3
73.02944	1.1
73.04651	0.8
83.01409	1.3
85.02947	2.0
88.04050	3.4
89.02445	5.9
95.01360	1.0
97.02971	0.9
99.04546	1.6
99.92586	1.2
101.02449	7.1
107.01404	2.8
111.00897	1.7
113.02468	3.3
115.28273	0.7
116.03601	1.1
116.07171	0.8
119.03501	3.2
123.00883	6.1
124.01694	1.9
125.02459	25.3
126.02824	1.4
128.07169	2.4
137.02452	2.2
139.00398	2.4
139.04008	1.0
139.84258	0.8
140.01163	1.4
146.08237	59.1
147.08626	1.4
151.00366	2.9
159.04437	0.9
161.02415	1.4
161.04552	1.3
163.04018	1.2
165.01945	2.0
167.03546	3.2
169.01437	15.1
170.01750	1.0
175.00519	0.7
175.03934	1.1
177.01944	4.3
196.66345	0.7
200.09407	1.1
211.02477	1.4
211.30864	0.8
218.10356	0.9
223.59735	0.7
241.16356	0.7
243.03035	1.2
261.04321	0.9
263.11404	1.7
271.04727	0.9
291.68961	0.9
300.99966	1.1
308.13519	7.1
313.05783	1.1
352.64520	1.0
362.14493	1.5
380.15628	63.7
381.16071	3.8
415.12610	2.7
460.14761	5.5
469.12653	1.1
514.15594	2.5
532.16748	100.0
533.17352	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	532.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01402	60.5
61.96830	9.6
61.98832	100.0
69.12811	56.4
69.13210	23.8
69.94571	11.2
73.74744	11.2
79.58318	10.6
92.25234	10.4
98.21735	17.9
100.59923	10.3
116.69573	11.1
155.18773	11.3
186.28473	9.9
196.75499	11.3
206.17241	10.9
350.25827	10.5
375.08920	11.6
414.31177	14.0
452.06042	13.7
458.29959	20.5
532.36639	18.5
533.32275	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	532.3651
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32455	11.8
57.03454	12.5
59.01393	100.0
61.98830	87.0
70.27931	9.2
71.89220	9.4
75.00891	13.8
154.36525	9.1
200.62236	9.7
532.30054	35.8
533.30688	40.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.9667
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86823	2.0
59.01356	3.1
69.33872	11.1
81.95315	2.0
83.01401	3.5
87.09962	1.9
92.34674	2.6
95.05046	2.5
96.96024	25.8
97.02956	3.5
98.95591	22.1
98.96434	2.9
99.92584	15.1
114.03455	2.1
114.53848	1.9
115.92078	22.8
116.92854	11.1
123.00877	3.2
123.04539	2.5
125.02469	15.8
135.04555	2.2
137.02458	4.7
142.94485	2.6
147.04501	1.9
167.03564	13.9
169.01443	6.3
171.00977	2.2
173.02428	2.5
183.03122	2.4
209.08301	4.9
212.94978	4.0
218.76221	1.9
229.01439	3.1
230.96014	11.2
231.96774	2.9
242.99416	10.0
251.09273	22.5
270.98859	69.5
271.99323	5.0
281.10352	5.9
283.99789	3.9
289.07562	2.3
297.97565	4.1
298.98346	100.0
299.99097	41.8
300.99908	84.8
302.00256	5.5
353.91092	5.5
354.91919	3.2
359.61920	2.2
363.16162	2.3
381.90543	6.3
382.91345	17.3
383.92252	7.7
384.93021	33.6
385.93106	2.3
398.90945	8.4
399.91739	4.9
400.92462	17.5
411.22455	2.7
413.14606	12.5
432.03546	10.1
433.03967	4.0
443.15622	3.8
515.96527	5.5
532.96735	88.2
533.12610	2.8
533.19653	6.0
533.97089	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	533.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	4.0
67.01893	0.8
69.03461	1.4
69.30067	2.9
69.30473	1.6
71.01381	3.3
71.32390	0.8
73.02942	1.2
83.01392	1.0
85.02943	1.7
87.00855	0.9
89.02460	1.8
91.80831	0.8
95.01416	1.6
97.02911	1.3
101.02495	1.1
105.03532	0.9
107.01398	27.7
109.02976	1.1
111.00887	1.8
113.02546	0.8
123.00894	3.5
124.01740	1.6
125.02460	67.5
126.02840	1.2
127.00302	1.0
133.06444	0.7
137.02411	0.9
137.31177	0.8
139.00377	2.5
140.01149	1.7
145.02942	1.4
147.08272	0.8
149.02438	1.3
151.00415	2.1
153.01973	1.5
167.03535	1.3
168.00645	3.1
169.01448	100.0
170.01756	2.2
189.09297	0.8
193.01430	2.3
203.03535	1.1
204.04269	2.6
211.02560	4.2
217.05127	6.2
217.08672	1.0
218.05850	5.3
219.06653	17.3
220.06976	0.8
229.08749	2.2
231.06596	4.9
232.07367	0.9
233.08203	16.2
243.06691	4.4
245.08165	9.0
253.03439	1.4
257.08124	1.7
258.05383	1.2
259.06122	3.5
259.09732	2.0
261.07675	26.4
262.07938	1.2
264.06467	2.1
271.04572	23.1
271.09354	1.4
272.05002	1.0
273.07715	8.4
275.09256	5.7
285.07739	1.4
291.08743	12.3
299.09299	2.9
303.08746	17.3
305.10257	0.9
313.05670	11.6
314.05927	1.1
327.08737	1.1
327.12503	1.0
338.76480	0.8
343.06409	0.9
345.09811	4.7
363.06509	1.1
363.10873	15.6
364.11218	1.2
381.11880	14.5
387.16608	1.6
489.30869	0.8
489.37823	0.8
496.44376	0.7
533.12976	58.1
533.29456	5.0
534.13428	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	533.13
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	3.5
61.98821	1.6
63.38029	0.6
64.50713	0.6
69.03465	0.8
69.11124	2.9
69.11538	2.4
71.01363	2.4
73.02940	0.9
76.67292	0.7
77.03967	0.8
78.72398	0.7
79.33133	0.7
84.95140	0.8
85.02959	0.7
89.02450	1.0
91.54810	0.6
95.01388	0.8
101.02436	1.0
107.01401	16.5
109.02937	1.4
109.06573	1.4
111.00885	1.9
111.04494	1.2
119.03539	0.8
119.05000	1.1
120.53828	0.6
120.99677	0.7
121.02962	1.5
123.00967	1.1
123.04528	0.8
124.01672	1.5
125.02453	43.0
126.02760	1.0
135.04555	0.8
137.02428	1.5
139.00362	1.6
140.01120	1.8
149.02467	4.0
151.00369	0.8
151.04091	0.8
161.02417	2.5
161.04645	0.8
163.04056	2.2
165.02005	1.1
167.03569	0.7
168.00665	8.4
169.01433	58.3
170.01805	1.2
173.06116	0.8
173.73439	0.6
175.03937	1.0
179.03470	2.8
185.84692	0.8
189.09308	0.8
190.02588	0.8
191.03557	1.6
193.01442	1.5
193.08696	0.8
199.09647	0.9
203.03470	0.9
211.02475	30.8
212.02751	1.4
215.03531	1.1
216.00603	0.9
217.05052	9.4
217.08418	0.7
218.05844	19.8
219.06586	10.6
230.05789	1.2
231.06651	1.9
232.07257	1.0
233.08189	73.1
234.08492	2.2
241.03551	22.5
243.06664	3.8
243.12337	1.3
245.08211	2.3
259.06149	1.6
261.07681	100.0
262.07999	5.3
264.06375	1.6
271.04584	56.7
272.04959	2.2
272.47485	0.8
273.07690	16.5
285.07874	0.7
289.07217	1.2
291.08752	40.7
292.09149	2.0
301.10883	1.2
303.08710	2.8
304.84457	0.7
315.08591	0.9
327.08923	4.0
345.06143	0.7
345.09833	5.1
363.10870	3.9
381.11926	44.3
382.12253	2.6
404.21991	0.7
471.00067	0.7
515.12286	0.9
533.13043	52.7
533.20990	2.1
534.13361	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	533.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	8.4
61.98821	1.8
62.14773	0.9
69.03422	1.0
69.18167	1.0
69.47126	4.0
71.01365	4.6
73.02933	1.7
75.00843	1.2
85.02948	1.3
86.46183	1.0
89.02442	2.5
97.02914	0.9
97.59113	1.1
98.22493	1.9
101.02437	2.8
105.03450	3.4
107.01395	40.5
107.70788	1.0
109.02909	1.1
110.06948	0.9
111.00870	1.2
111.04409	1.3
113.02419	1.2
116.05051	2.5
119.03461	2.3
121.02946	2.2
123.00891	2.5
123.04524	3.6
124.01676	2.3
125.02454	74.2
133.02968	1.5
137.02386	3.8
139.00363	1.2
139.11272	1.4
140.01109	1.8
147.04463	2.6
149.02460	4.9
153.05595	1.1
160.04044	46.8
161.02380	3.8
161.04407	23.3
163.03981	2.9
165.01923	2.2
165.05534	3.8
167.03436	3.8
168.00568	2.6
169.01436	100.0
170.01715	1.3
173.06035	1.1
176.01204	1.2
179.10751	2.5
180.01466	1.3
183.10294	1.4
187.03973	1.1
190.02626	1.1
191.03497	7.9
193.01434	1.6
205.03319	1.2
205.05061	2.0
209.08176	2.5
211.02429	3.7
215.03511	3.5
216.00615	1.3
216.44017	1.0
217.05043	3.0
217.08646	3.3
218.05858	7.5
219.06688	6.4
231.06564	2.2
233.06033	1.4
233.08195	22.1
234.08382	1.2
243.06543	3.0
245.08163	6.3
247.06030	1.2
251.09184	5.7
253.03555	1.3
259.06033	4.9
261.07706	29.3
262.07986	1.4
264.06427	1.8
271.02133	1.3
271.04626	17.0
271.09351	1.1
273.07690	23.6
274.07913	1.3
275.09256	7.6
277.07016	1.7
289.07108	1.7
291.08765	13.0
299.09207	1.5
303.08746	20.2
304.08887	2.0
315.08618	1.5
327.08557	3.8
327.12479	1.8
345.09982	5.3
363.06628	1.6
363.10864	26.6
381.11969	12.0
413.14679	5.7
474.08435	1.2
533.12701	66.5
533.18909	4.3
534.13379	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	533.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	14.4
61.98826	1.9
69.03445	1.9
69.10740	4.5
69.11143	1.3
71.01389	6.0
72.99298	0.7
73.02949	3.2
75.00870	1.1
79.01879	1.1
81.03475	0.7
83.01398	1.3
83.63343	0.7
85.02950	2.1
87.00895	1.6
89.02470	3.8
95.01418	1.5
96.96017	21.6
96.96994	1.6
97.02947	1.6
98.22572	1.5
99.00907	0.7
101.02446	6.2
107.01402	24.8
109.02982	1.3
109.06610	0.9
111.04581	0.8
113.02454	2.3
118.98092	1.2
119.03535	1.3
120.99718	1.1
123.00879	1.9
124.01643	3.7
125.02459	68.7
126.02801	1.9
129.86513	0.7
135.04550	1.9
137.02457	1.1
139.04013	2.1
139.11322	1.2
150.55644	0.7
151.03967	0.9
153.01959	1.1
158.55014	0.6
160.04018	1.9
161.04500	1.9
163.06129	2.0
167.03511	1.2
167.28156	0.6
169.01437	100.0
170.01797	1.9
175.03918	0.9
177.05540	1.1
181.12367	0.8
183.10257	2.2
187.70363	0.6
189.05716	0.7
191.03403	0.8
203.03490	0.8
203.97331	1.4
217.05136	4.4
218.05853	7.6
219.06577	2.1
225.11324	1.0
227.12981	0.8
231.06665	2.9
232.07289	0.8
233.08183	21.5
243.06636	2.5
243.12439	1.6
245.08176	2.5
261.07687	49.1
262.08066	2.4
264.06461	1.0
273.07684	5.8
291.08743	13.3
292.08945	0.9
303.08685	1.3
327.12674	0.9
371.24673	1.3
381.11923	72.9
382.12347	4.6
421.10635	0.8
533.13519	1.8
533.22998	2.5
533.29852	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	533.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.9
56.36053	0.3
57.03458	0.5
59.01381	5.9
61.98827	0.7
67.01884	0.5
69.03465	1.8
69.07664	0.8
69.08068	2.3
71.01387	8.6
73.02951	2.9
74.62791	0.4
77.04013	0.3
79.01899	0.7
81.03465	0.6
83.01401	1.5
85.02958	3.4
87.00883	0.7
88.56576	0.3
89.02467	2.9
93.62628	0.3
95.01409	0.9
95.05019	0.3
96.96001	1.6
97.02951	1.5
99.00910	1.3
101.02456	6.6
102.41122	0.3
107.01398	25.4
109.02951	0.5
109.06577	0.4
111.00896	0.6
111.04529	0.5
113.02464	3.3
117.31106	0.3
119.03515	1.2
120.99716	0.4
121.02982	0.4
123.00916	0.8
123.04541	0.7
124.01646	0.8
125.02457	62.1
126.02794	1.4
133.02956	0.5
137.02457	1.6
141.01938	0.5
149.02475	0.9
151.04102	0.5
152.36038	0.3
153.05519	0.3
159.03040	0.8
161.02505	1.6
161.04553	4.1
161.80811	0.3
162.06836	0.9
163.04105	0.7
165.01877	0.4
165.05582	0.8
167.08841	0.3
169.01436	100.0
170.01753	2.4
175.04062	0.3
179.03471	0.6
179.05678	0.4
179.07127	0.4
182.53607	0.4
193.01395	1.0
207.89050	0.3
209.08241	0.5
209.15305	0.3
217.05042	1.6
218.05862	6.1
219.06506	1.1
224.10530	1.8
231.06694	0.4
233.08208	22.2
233.34691	0.3
234.08536	0.9
239.12868	2.2
243.06656	1.6
259.06137	0.5
261.07690	37.3
262.08087	2.4
273.07635	1.0
289.07123	0.7
291.08716	1.2
323.07602	0.4
349.60245	0.4
359.48822	0.3
369.10168	0.4
371.20740	5.6
372.21255	0.4
381.11920	40.3
382.07608	0.4
382.12234	2.9
473.91183	0.4
533.12140	0.8
533.18494	2.8
533.26007	4.5
534.26440	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.4
60.49606	0.5
61.98825	1.1
62.18934	0.5
69.06119	0.7
69.06446	4.6
78.95448	1.2
78.95909	26.1
96.96029	1.3
96.96953	1.2
98.21787	1.1
98.95614	0.8
116.92902	0.8
131.45212	0.5
145.02974	1.5
152.99600	3.4
167.99532	0.5
178.88446	8.2
179.89238	4.7
180.88504	0.5
180.90001	7.2
194.22560	0.5
196.89500	100.0
197.89537	3.5
209.18701	0.6
252.92198	0.6
357.15457	0.5
457.11035	0.7
533.16241	6.1
534.16418	0.6
534.32062	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16703	0.5
59.01373	1.2
59.93674	0.5
67.01877	0.6
71.01376	1.2
71.26552	0.5
75.91115	0.5
77.66104	0.5
79.59837	0.5
85.02951	8.6
87.00896	2.5
93.03464	3.1
98.82737	0.5
98.93467	0.5
101.02499	0.7
109.02946	1.0
112.06170	0.6
122.40285	0.5
123.00900	0.5
125.02440	1.3
126.02779	0.7
127.04034	1.8
141.39493	0.4
169.01424	1.4
171.03041	0.5
173.04587	1.0
191.05621	100.0
192.05977	2.6
199.38931	0.5
246.86282	0.5
249.03987	1.1
296.49872	0.5
301.00021	1.1
359.61142	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45807	0.5
59.01377	1.2
60.85185	0.5
69.30835	3.0
71.01376	1.3
77.01544	0.5
80.38396	0.6
85.02956	9.0
87.00883	2.0
89.04790	0.6
93.03489	2.4
109.03024	1.0
111.04520	0.9
125.03376	0.6
127.04010	1.7
173.04622	1.1
191.05638	100.0
192.05962	1.7
205.32486	0.5
310.50790	0.6
496.32111	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.9
57.03429	2.0
58.83366	0.7
59.01138	0.9
59.01383	10.5
62.85733	0.6
67.01904	1.0
69.09212	4.8
71.01379	7.6
71.02692	0.8
71.05003	0.8
72.99329	1.0
73.02945	2.6
79.01898	0.8
83.01379	1.1
85.02968	2.6
85.06596	1.3
87.00871	1.5
87.04509	3.4
89.02436	6.8
93.03477	0.8
95.01385	2.4
99.00881	0.8
101.02442	6.9
101.06065	1.3
107.01384	4.1
111.00879	1.5
113.02477	3.3
113.06087	2.6
115.04034	0.7
119.03511	1.9
120.89272	0.6
120.99615	0.6
121.02999	0.9
121.10271	1.0
123.00897	8.4
125.02454	16.6
127.00401	0.9
129.05592	1.3
136.98856	0.6
139.00407	2.3
139.11227	1.3
140.01152	1.5
140.66891	0.6
141.01894	1.2
144.75772	0.7
151.00346	3.3
151.04057	1.1
155.10814	0.9
160.04047	1.1
161.04488	1.1
161.46129	0.7
168.00664	1.4
169.01431	18.6
175.69939	0.8
181.05099	1.3
183.10257	1.2
191.94666	0.7
201.11317	9.0
211.02449	3.2
219.12341	12.0
219.14209	1.0
271.04672	3.1
283.13550	1.1
303.85678	0.7
313.05551	0.9
317.16190	0.7
345.15625	1.0
363.16721	5.2
363.20508	0.9
381.17697	29.5
382.17929	1.1
443.12265	1.0
515.17969	4.7
533.18781	100.0
534.19183	7.2
555.93451	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58873	0.6
59.01387	2.9
61.98810	1.1
67.01884	1.0
69.03454	1.1
71.01367	2.2
71.04997	0.7
73.02942	0.9
81.03468	8.3
83.01384	2.6
83.05029	0.7
89.02443	1.2
93.03458	1.8
95.01398	1.3
95.05029	8.9
96.96030	0.7
97.02959	3.8
99.04534	4.3
99.08131	1.0
101.02429	1.3
101.06069	1.6
108.02192	1.0
109.01357	0.6
109.02973	0.6
111.00898	1.8
111.04540	1.8
113.02441	2.1
121.02938	1.2
122.03748	1.1
123.00924	0.8
123.04522	5.9
123.08162	2.5
125.02456	22.4
125.06098	5.7
135.04538	1.0
137.02464	5.4
137.09714	1.3
138.03273	1.0
139.03998	4.0
141.09207	1.1
149.02428	2.2
151.00435	0.6
151.03992	1.6
152.01164	0.9
155.03554	1.2
161.02473	0.8
163.04034	1.2
163.07648	1.2
164.04794	0.8
164.08400	1.2
165.02017	1.0
165.05542	0.6
165.09236	9.0
166.02718	2.7
167.03506	41.8
167.07153	2.0
168.03864	0.9
169.01382	1.5
177.09253	0.6
179.03590	1.3
179.10789	9.8
181.08698	1.8
183.10295	0.8
190.02832	0.7
191.03522	1.6
191.10760	0.8
197.04544	7.1
203.07085	0.7
205.05075	0.7
205.08672	1.5
207.06676	1.0
207.10283	4.0
209.08208	29.3
210.08606	1.0
219.10278	1.3
221.04738	0.6
221.08215	9.2
222.08870	1.9
223.09753	2.5
233.08255	1.3
235.09723	1.7
245.08235	0.8
247.09787	1.0
248.06932	0.7
249.07660	0.7
251.09262	100.0
252.09518	4.3
263.09210	4.0
275.09158	3.7
281.10330	24.7
282.10681	1.5
285.63718	0.6
293.10312	2.7
305.10278	1.5
323.11392	1.3
329.08826	1.0
335.11285	1.0
353.12457	0.8
359.09454	0.6
413.14548	58.0
414.14877	4.0
443.15610	23.3
444.15982	1.7
451.12744	1.1
455.15891	2.4
469.33746	0.7
485.16528	0.9
497.17438	0.7
515.17798	2.4
533.18634	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	533.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	0.9
70.39385	1.4
71.01386	1.0
77.83486	0.9
90.38322	0.8
94.02082	1.0
95.42673	0.8
101.45148	0.9
105.23992	0.9
107.01408	1.0
110.86752	0.8
119.05016	1.1
131.23152	0.9
160.81219	1.2
197.02231	7.3
271.06143	1.7
335.22302	100.0
336.22534	6.1
371.24393	1.0
409.69327	1.0
533.24780	21.9
534.25677	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	533.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93589	1.4
59.01391	3.5
69.01357	7.2
69.01768	4.0
69.54320	1.3
71.01369	3.2
83.01378	1.5
96.96082	1.4
98.22523	3.0
113.02479	1.7
118.96745	1.2
123.00882	1.9
125.02441	3.5
132.37724	1.3
135.04544	2.3
137.02475	2.4
160.01744	1.5
161.02449	3.8
162.03258	3.8
177.05553	3.9
187.78876	1.4
190.06387	1.6
197.02255	9.3
208.24870	1.3
208.99620	2.4
227.07155	2.4
249.07790	1.4
285.54660	1.3
300.02585	2.0
333.20923	1.4
335.22305	100.0
336.22629	6.1
341.10425	1.6
371.24432	2.2
373.95758	1.4
518.17883	1.7
533.25226	26.1
533.31512	7.8
534.25903	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.3
61.98827	2.4
67.10594	0.9
69.51569	5.1
71.01388	1.7
73.02927	1.2
109.02921	1.9
111.00895	5.5
121.02959	1.5
123.00864	1.2
125.02421	2.9
135.04492	2.0
135.16272	1.2
138.09085	1.4
142.67889	1.0
147.04337	1.1
165.05536	1.9
169.01418	3.0
175.04082	1.0
179.07220	1.5
197.02249	5.6
209.06113	1.3
223.70465	1.1
243.06520	2.6
253.05035	2.6
254.05357	1.8
260.97217	1.0
261.07758	2.2
261.24860	1.1
271.02362	1.3
299.01999	2.8
300.02850	2.1
335.22290	100.0
336.22787	7.4
341.88403	1.1
381.11801	1.5
459.11038	1.3
533.12671	2.1
533.24933	22.2
533.31415	3.8
534.25531	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	533.3125
Annotation	Ganoderic acid L
Peak:m/z	Relative Intensity
53.37651	0.5
54.80148	0.6
59.01378	4.1
61.98835	3.2
62.36928	0.6
70.51776	1.9
76.79752	0.7
98.54457	0.5
111.12386	0.6
113.23880	0.6
118.95128	0.5
183.60780	0.6
184.86971	0.6
224.42572	0.6
301.27301	0.6
393.28314	1.0
411.29169	2.8
427.32153	4.3
455.28009	8.4
471.31152	20.5
472.31406	2.2
489.32358	6.3
497.29153	1.2
515.30078	1.5
533.31274	100.0
534.31592	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23194	0.4
57.03448	0.8
59.01382	100.0
60.01705	0.7
61.98838	1.3
73.02956	1.1
73.27182	0.5
85.02966	0.8
98.22552	2.0
99.04506	0.5
108.18311	0.4
109.02959	0.7
111.04554	0.9
116.77155	0.5
125.15752	0.6
127.11336	0.5
128.75394	0.5
129.01807	0.5
145.58549	0.5
179.07191	1.2
181.08774	1.1
183.06763	1.3
189.12819	0.5
193.08765	0.6
209.08243	0.9
225.07806	1.0
247.28725	0.5
309.13580	0.8
383.29761	0.7
423.28714	0.5
453.30341	0.5
455.32162	1.8
473.32980	3.9
474.33212	0.6
489.32211	0.6
533.19977	1.4
533.31445	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	535.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	3.2
59.36275	0.6
61.98826	1.9
68.23556	0.6
69.20219	2.2
69.20625	1.7
71.01392	1.4
85.02992	0.8
87.00877	0.8
93.03478	2.1
95.01381	1.1
96.95988	0.8
98.95627	1.0
99.00951	0.9
99.92596	16.2
100.92617	0.8
100.93327	1.0
101.02486	0.7
108.02198	2.7
109.02987	1.0
111.00898	3.1
113.02497	0.8
115.92078	2.5
116.92873	100.0
117.92888	2.7
123.00915	6.5
123.04562	1.6
125.02465	3.0
134.03668	0.8
135.04536	1.4
137.02458	3.4
139.04077	0.7
151.00371	0.9
151.03973	0.9
152.01167	2.1
167.03543	2.4
169.01479	1.5
179.03542	1.2
191.95232	1.3
197.69128	0.6
206.93983	1.3
207.94695	12.6
208.95111	0.8
209.04582	1.2
219.94742	2.8
220.95532	1.0
223.06366	0.8
234.93442	4.5
235.94107	2.0
236.94820	1.0
251.93553	1.4
263.93753	0.7
271.02438	1.0
301.02838	1.0
311.09314	1.1
325.92523	0.7
357.50653	0.7
371.00790	1.4
373.26187	1.5
396.98810	1.4
397.99472	1.6
414.99777	18.8
416.00159	2.1
455.01987	0.8
460.92047	0.7
473.02170	0.9
498.99927	3.4
517.00720	1.0
517.20953	1.1
534.31787	0.8
535.01843	34.4
535.32996	3.3
536.01715	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	535.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85534	0.9
55.01865	1.2
57.03464	2.2
58.00599	1.6
59.01387	55.9
61.98836	2.0
62.03753	1.1
70.22494	1.9
70.22826	1.9
71.01390	30.0
71.05035	5.2
72.99294	1.7
73.02955	14.2
74.23464	0.9
75.00878	1.1
79.74791	1.0
83.01398	4.3
85.02959	9.4
87.00872	4.6
87.04539	1.6
89.02454	24.4
91.01906	1.8
93.03461	5.6
93.80106	0.9
94.44492	1.0
95.01383	3.2
97.02964	1.1
99.00858	1.6
99.04543	2.9
101.02457	20.7
107.01405	4.3
108.02164	3.5
109.02970	2.1
111.00882	3.2
113.02458	13.1
119.03535	13.0
121.02970	3.1
123.00912	3.7
123.04526	6.9
124.01705	5.5
125.02452	11.0
126.02797	2.6
127.02994	1.1
131.03549	1.7
133.02954	1.8
134.03822	1.3
135.04558	3.9
136.01703	1.9
137.02460	18.6
139.00423	1.5
139.04008	4.3
139.44769	1.0
140.01128	1.8
143.03506	1.9
149.02562	1.3
149.04575	1.7
149.06021	1.5
151.04031	2.1
152.01219	2.1
153.05676	1.2
155.54515	1.0
160.01689	1.2
161.02449	3.6
161.04619	3.2
161.06081	2.0
163.04036	1.1
164.04901	1.4
164.06461	1.0
165.01891	1.2
167.03519	11.7
167.07126	1.7
167.10786	1.6
169.01443	10.2
170.01762	5.1
171.01907	3.8
174.06876	3.8
177.05592	2.6
179.03508	5.2
179.05675	2.8
179.07140	1.6
181.05093	1.5
183.10277	1.6
185.11798	2.5
187.07748	1.2
189.05576	1.5
189.09151	2.4
190.02690	1.0
191.07173	3.1
192.07881	5.2
193.05176	2.0
199.09985	1.0
205.08795	1.5
207.10326	7.5
209.04601	2.1
215.12833	2.4
221.04593	1.4
233.08391	4.8
234.08600	1.4
239.05643	2.8
253.10822	29.5
261.07816	2.0
269.04630	1.3
272.05267	1.1
273.04974	1.0
281.06781	1.0
285.04025	1.6
297.04037	3.2
298.04861	38.3
299.05099	1.6
299.99005	1.3
303.05365	1.6
305.09439	1.6
313.07205	49.9
314.07492	3.4
340.13205	1.5
343.01028	2.7
343.11707	2.0
343.15598	1.9
343.24933	2.9
355.15558	2.5
355.24881	5.8
358.10437	1.5
365.11646	1.8
373.05661	2.6
373.12817	15.8
373.16739	2.3
373.26050	14.1
374.13373	1.4
374.26352	1.6
453.17578	4.8
475.16293	1.9
517.30334	3.1
535.13831	3.2
535.21716	7.2
535.31329	100.0
536.31677	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	535.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85534	0.9
55.01865	1.2
57.03464	2.2
58.00599	1.6
59.01387	55.9
61.98836	2.0
62.03753	1.1
70.22494	1.9
70.22826	1.9
71.01390	30.0
71.05035	5.2
72.99294	1.7
73.02955	14.2
74.23464	0.9
75.00878	1.1
79.74791	1.0
83.01398	4.3
85.02959	9.4
87.00872	4.6
87.04539	1.6
89.02454	24.4
91.01906	1.8
93.03461	5.6
93.80106	0.9
94.44492	1.0
95.01383	3.2
97.02964	1.1
99.00858	1.6
99.04543	2.9
101.02457	20.7
107.01405	4.3
108.02164	3.5
109.02970	2.1
111.00882	3.2
113.02458	13.1
119.03535	13.0
121.02970	3.1
123.00912	3.7
123.04526	6.9
124.01705	5.5
125.02452	11.0
126.02797	2.6
127.02994	1.1
131.03549	1.7
133.02954	1.8
134.03822	1.3
135.04558	3.9
136.01703	1.9
137.02460	18.6
139.00423	1.5
139.04008	4.3
139.44769	1.0
140.01128	1.8
143.03506	1.9
149.02562	1.3
149.04575	1.7
149.06021	1.5
151.04031	2.1
152.01219	2.1
153.05676	1.2
155.54515	1.0
160.01689	1.2
161.02449	3.6
161.04619	3.2
161.06081	2.0
163.04036	1.1
164.04901	1.4
164.06461	1.0
165.01891	1.2
167.03519	11.7
167.07126	1.7
167.10786	1.6
169.01443	10.2
170.01762	5.1
171.01907	3.8
174.06876	3.8
177.05592	2.6
179.03508	5.2
179.05675	2.8
179.07140	1.6
181.05093	1.5
183.10277	1.6
185.11798	2.5
187.07748	1.2
189.05576	1.5
189.09151	2.4
190.02690	1.0
191.07173	3.1
192.07881	5.2
193.05176	2.0
199.09985	1.0
205.08795	1.5
207.10326	7.5
209.04601	2.1
215.12833	2.4
221.04593	1.4
233.08391	4.8
234.08600	1.4
239.05643	2.8
253.10822	29.5
261.07816	2.0
269.04630	1.3
272.05267	1.1
273.04974	1.0
281.06781	1.0
285.04025	1.6
297.04037	3.2
298.04861	38.3
299.05099	1.6
299.99005	1.3
303.05365	1.6
305.09439	1.6
313.07205	49.9
314.07492	3.4
340.13205	1.5
343.01028	2.7
343.11707	2.0
343.15598	1.9
343.24933	2.9
355.15558	2.5
355.24881	5.8
358.10437	1.5
365.11646	1.8
373.05661	2.6
373.12817	15.8
373.16739	2.3
373.26050	14.1
374.13373	1.4
374.26352	1.6
453.17578	4.8
475.16293	1.9
517.30334	3.1
535.13831	3.2
535.21716	7.2
535.31329	100.0
536.31677	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	535.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.4
58.00848	1.2
58.36331	0.9
59.01364	5.3
60.79282	0.9
61.98828	1.6
71.01395	2.5
73.02950	1.5
83.01392	1.4
85.02953	1.2
93.03464	3.7
93.95108	0.9
98.22532	2.4
99.92554	1.2
103.05543	1.1
105.03470	1.8
107.05088	1.5
108.02181	1.6
109.02943	10.7
111.00893	3.9
119.05031	1.8
121.02936	2.3
122.03728	1.2
123.00919	1.6
123.04541	8.7
124.01692	1.0
125.02464	6.5
133.02969	2.3
134.03766	3.9
135.04536	13.6
137.02449	7.2
139.04019	2.8
145.02977	3.2
146.03734	2.9
147.04530	53.2
149.02451	5.8
149.06157	1.5
150.03241	14.6
151.00356	1.5
151.04027	4.3
159.04523	7.2
161.02501	7.2
161.06131	1.5
162.02821	1.2
163.04063	1.7
165.05539	1.2
167.03488	9.2
169.01447	4.0
171.04559	5.3
173.01180	1.2
173.02385	5.7
175.04066	2.6
177.01961	1.5
177.05574	19.9
177.07103	1.2
178.02756	2.9
179.03413	1.7
186.99127	1.1
187.04083	1.5
188.04948	1.1
189.05582	22.0
193.05063	6.7
197.06123	2.8
199.03996	1.1
199.07733	1.7
201.05566	1.4
203.03639	1.4
205.05054	10.0
207.06827	1.4
209.04521	2.7
215.03497	11.8
217.05145	3.2
221.06073	1.4
223.07729	1.7
225.05713	1.8
229.04996	1.7
231.06612	6.0
241.05086	1.6
243.06639	4.3
247.06068	1.9
249.05562	2.1
262.14349	1.0
265.04990	2.5
266.05951	2.1
267.06638	40.3
268.06952	2.6
269.08185	1.5
277.04889	1.5
278.05942	1.1
279.06454	1.1
281.08231	5.6
291.06766	1.5
293.04886	1.4
295.06091	2.7
297.07797	5.8
309.07895	2.0
311.09268	3.7
324.06451	1.2
325.07373	4.9
329.14008	3.0
335.22293	2.5
351.08755	100.0
352.09207	7.0
353.10284	2.3
357.09872	1.4
363.08759	1.2
373.12888	1.5
373.26016	2.6
410.11679	1.0
443.11295	1.2
445.09024	1.3
475.37653	1.0
485.12326	2.9
497.89578	1.0
503.13538	41.4
504.13794	3.9
521.08112	1.2
529.36023	1.2
535.16077	6.2
535.32593	19.3
536.32678	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	4.0
61.98817	2.8
67.01897	1.3
69.18398	4.0
69.18814	3.7
71.01385	5.8
73.02929	1.5
85.02958	1.2
91.62406	1.0
95.01401	2.4
98.50893	1.1
101.02448	1.7
101.80789	1.1
107.01403	5.3
110.00150	1.1
111.00863	4.1
113.02442	1.5
123.00908	16.1
123.04560	1.6
124.01683	1.8
125.02454	20.7
127.00363	1.8
135.04504	1.6
136.98830	3.4
137.02428	2.5
138.12514	1.0
139.00378	8.3
139.03978	1.1
140.01141	6.5
141.01923	1.8
148.04149	1.2
148.05322	18.8
150.03217	1.0
151.00388	9.4
163.07614	7.1
164.04826	13.4
167.03543	1.4
168.00690	7.4
169.01440	22.8
179.03577	1.2
179.07129	14.3
194.09509	1.0
207.97084	1.1
210.54395	1.1
211.02467	4.7
269.32669	1.1
313.05722	1.2
371.09753	1.5
373.16772	1.5
373.26065	1.3
403.60959	1.2
425.62003	1.1
505.18854	1.4
535.18219	100.0
535.31036	7.2
536.18561	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	535.1826
Annotation	1-Hydroxypinoresinol 1-glucoside
Peak:m/z	Relative Intensity
59.01367	4.0
61.98817	2.8
67.01897	1.3
69.18398	4.0
69.18814	3.7
71.01385	5.8
73.02929	1.5
85.02958	1.2
91.62406	1.0
95.01401	2.4
98.50893	1.1
101.02448	1.7
101.80789	1.1
107.01403	5.3
110.00150	1.1
111.00863	4.1
113.02442	1.5
123.00908	16.1
123.04560	1.6
124.01683	1.8
125.02454	20.7
127.00363	1.8
135.04504	1.6
136.98830	3.4
137.02428	2.5
138.12514	1.0
139.00378	8.3
139.03978	1.1
140.01141	6.5
141.01923	1.8
148.04149	1.2
148.05322	18.8
150.03217	1.0
151.00388	9.4
163.07614	7.1
164.04826	13.4
167.03543	1.4
168.00690	7.4
169.01440	22.8
179.03577	1.2
179.07129	14.3
194.09509	1.0
207.97084	1.1
210.54395	1.1
211.02467	4.7
269.32669	1.1
313.05722	1.2
371.09753	1.5
373.16772	1.5
373.26065	1.3
403.60959	1.2
425.62003	1.1
505.18854	1.4
535.18219	100.0
535.31036	7.2
536.18561	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	535.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.6
55.31220	0.5
59.01383	8.3
71.01392	6.3
73.02953	2.9
81.03448	1.6
83.01402	1.3
85.02970	3.5
87.00894	0.9
89.02461	2.9
93.03454	1.2
95.01418	2.6
99.00900	0.5
99.04478	0.6
101.02466	3.5
104.78239	0.5
108.02180	66.2
109.02962	40.7
109.04071	0.7
110.03259	0.8
113.02452	2.4
121.02957	2.1
122.03728	4.9
123.00887	2.0
123.04553	1.6
125.02457	0.6
135.00917	0.9
137.02458	1.5
139.11278	0.6
149.06058	2.9
151.03989	0.8
152.01161	71.4
153.01949	21.0
154.02640	0.9
163.03979	1.4
163.07733	0.8
163.46783	0.6
165.01933	1.1
167.03467	1.4
178.09982	1.3
185.11891	2.8
205.08669	1.2
207.03020	0.6
215.12842	1.0
219.10258	0.8
223.09781	3.9
235.91301	0.6
237.11322	31.0
238.11639	1.2
241.80077	0.5
265.10815	1.7
307.11884	0.9
355.24667	3.6
373.25894	9.3
517.30280	0.7
535.18292	100.0
535.31000	54.2
536.18573	8.8
536.31287	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.8
56.74245	1.1
57.03455	13.5
59.01382	27.7
61.98839	2.1
63.96231	2.1
67.98762	1.1
71.01389	18.6
71.29842	1.3
73.02956	5.2
75.00872	1.4
81.03460	2.7
83.01383	10.6
85.02943	8.1
87.00891	2.8
89.02452	11.0
89.47728	1.3
93.03479	2.8
95.01394	1.5
95.05052	1.2
97.02966	2.9
101.02462	11.7
101.06088	4.8
108.02178	15.0
109.02971	10.3
111.00912	2.7
113.02482	7.3
116.51932	1.3
117.03468	5.1
117.97318	8.7
119.03515	4.3
120.99686	4.5
121.02967	4.2
123.00912	1.5
123.04525	8.0
125.02454	100.0
135.04549	2.1
135.98320	1.8
137.02469	35.9
137.03528	2.2
139.04053	2.1
139.11302	4.0
145.02971	34.6
146.03693	2.9
146.10645	1.3
149.02455	14.1
150.03224	3.1
151.00331	2.8
151.04022	5.4
152.01161	21.5
153.01901	2.1
153.05528	1.3
155.10834	3.6
159.04474	5.9
161.02478	3.7
161.04655	2.7
161.06097	7.5
163.04068	3.4
164.04794	2.8
165.01987	2.0
166.02690	1.6
167.03514	29.5
169.01425	8.8
175.00388	5.2
175.07645	2.3
176.01114	2.1
177.09222	2.1
179.03499	3.1
179.05580	1.7
183.10303	3.0
185.06082	5.4
187.04021	4.9
190.02711	10.7
191.03540	3.1
193.08723	1.8
201.05588	1.8
203.07198	6.0
205.05037	12.5
205.08505	1.2
207.13631	1.4
221.08243	3.3
223.06284	2.0
223.09763	10.0
225.05637	1.6
225.11415	2.8
227.07132	2.3
229.05049	2.3
235.09760	2.6
236.63300	1.4
243.12431	3.5
245.08224	7.7
247.06236	1.3
253.05144	7.1
271.06143	87.7
272.06512	3.0
289.07199	37.0
290.07608	1.5
295.06131	2.2
298.03693	2.7
313.05591	2.3
329.13898	3.9
353.08798	4.5
354.09497	1.3
355.11795	2.4
367.10321	13.2
373.08771	2.3
373.12982	24.0
373.21384	1.9
373.26019	5.1
383.12985	1.3
433.11746	2.1
499.18237	1.6
535.15082	11.2
535.23956	22.4
535.31458	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	535.219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	0.4
57.03465	0.4
58.00597	0.5
59.01385	12.2
61.98827	0.7
69.61889	1.2
69.63076	0.3
71.01390	6.5
72.99309	0.8
73.02946	0.4
73.29633	0.2
83.01413	0.5
85.02940	1.3
89.02450	6.5
95.01457	0.3
95.04975	0.3
98.22445	0.5
101.02455	3.6
108.40205	0.3
113.02471	1.7
119.03510	3.0
135.04546	5.5
137.02428	1.7
147.35495	0.3
149.06104	0.7
162.38693	0.3
163.04025	15.5
164.04808	100.0
165.05141	2.9
178.06386	2.7
179.07150	94.4
180.07486	3.8
181.93706	0.3
233.08057	0.3
269.00378	0.3
355.15594	1.3
373.16650	1.5
415.21255	0.3
428.17529	0.3
517.31769	0.3
535.21826	1.8
535.33453	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	535.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03232	1.2
57.03477	2.3
59.01388	8.9
61.98824	2.6
71.29695	1.6
73.02945	1.9
79.72865	1.6
87.04578	1.3
90.93828	1.3
92.43341	1.4
96.96079	1.8
97.06630	1.6
110.03741	1.6
124.01657	3.9
125.02424	1.9
132.43007	1.4
137.02469	1.9
138.03253	2.8
139.03999	7.8
164.04807	100.0
165.02232	1.8
165.05225	2.3
169.01468	1.8
179.07153	96.8
180.07512	2.6
203.07520	1.4
218.12234	1.5
228.10690	1.7
327.12369	5.3
341.12439	1.7
343.11975	2.4
358.14310	3.5
373.16559	21.8
374.16669	1.7
390.25058	1.5
434.73505	1.8
451.05957	1.5
471.60272	1.6
491.33365	1.5
535.33478	14.8
536.32855	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	535.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15994	1.0
57.03434	1.2
59.01381	15.9
61.98832	3.5
71.01382	8.8
71.29179	1.6
72.99329	1.4
73.02939	2.5
82.58640	1.0
83.01385	1.5
85.02960	3.1
87.00876	1.0
87.04551	1.1
89.02445	4.0
93.03456	1.8
95.01347	1.2
99.00906	1.8
101.02439	3.6
108.02154	2.6
109.02956	3.8
110.97121	1.2
113.02458	2.2
121.02947	2.6
123.00912	8.4
123.04543	6.4
124.01681	5.3
124.26160	1.2
125.02457	1.1
135.04575	1.7
136.01680	15.6
137.02507	7.2
138.03253	1.6
139.00366	2.0
139.03984	1.1
139.11313	1.2
142.70860	1.2
149.02438	2.3
149.06091	1.0
151.00401	3.7
151.04031	17.5
152.01147	3.0
161.04604	2.6
163.04036	1.9
164.04797	3.8
165.05576	6.0
166.02711	15.3
167.03455	5.0
175.07629	3.3
178.06284	1.9
179.03508	1.9
179.07118	4.5
180.04317	1.2
181.05078	20.5
185.11853	1.8
190.06433	2.5
191.07143	4.3
193.05002	1.6
195.06544	1.2
203.07092	2.1
205.08723	1.5
207.10336	2.9
325.10889	2.7
329.14038	1.4
343.11823	5.0
355.15707	1.7
355.24802	1.1
358.14151	9.8
373.16580	100.0
373.25842	5.5
374.16800	7.3
475.25754	1.1
535.31323	35.2
536.31799	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	535.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.7
59.01385	38.3
59.87531	1.1
61.98816	4.3
62.30993	1.3
68.99831	1.9
71.01381	2.7
71.05013	1.6
72.99316	2.9
75.00882	30.5
78.95914	3.3
83.01375	1.7
89.02465	5.2
96.99323	2.2
97.02896	1.6
98.21699	1.8
108.02209	1.3
109.06616	1.6
111.04518	9.5
117.03500	1.2
122.03757	1.3
123.00886	2.0
123.04458	1.5
124.01659	2.2
125.02524	2.1
133.02945	2.3
135.03017	50.0
135.04488	2.7
137.02472	2.0
138.03200	2.5
139.04004	1.4
140.92723	1.2
142.99850	1.9
146.99477	1.2
147.08211	1.2
149.02478	4.2
150.03133	1.3
151.03976	2.4
152.99564	3.6
161.02403	1.7
165.01952	2.6
165.05569	2.8
166.02756	7.0
167.03467	2.1
177.01886	2.6
178.02762	1.3
179.03531	1.8
179.07144	3.4
180.04225	1.2
181.08716	3.5
181.65970	1.3
191.07207	2.9
192.07893	2.3
193.01431	8.3
193.08745	1.4
194.02196	3.4
195.06638	1.5
203.03496	1.7
205.01421	19.3
205.05074	2.6
206.02156	2.4
207.02957	3.6
207.06647	5.2
208.07434	5.9
209.08218	8.2
218.05867	2.9
219.06644	14.0
220.07330	2.2
221.04610	2.8
221.08209	3.8
221.11835	4.2
223.05916	2.0
225.07742	1.4
233.00952	3.8
233.04617	2.2
233.08179	3.3
235.02571	2.5
235.06137	7.5
235.22659	1.4
236.06868	5.6
237.07555	1.7
246.05339	1.9
247.06128	5.1
248.06892	12.5
249.07626	3.0
261.07703	6.9
263.05603	2.7
264.06317	2.4
267.05029	1.7
274.08664	1.4
275.05545	2.1
276.06415	38.0
277.07013	5.2
279.08820	1.6
290.07602	1.4
305.07050	1.6
319.19153	1.4
333.17166	6.0
336.08411	1.6
359.22284	1.6
361.20209	20.5
364.08127	5.4
403.20953	3.0
413.19504	2.1
445.22522	3.2
447.14316	5.5
463.23434	9.7
473.21930	2.9
475.19742	2.2
489.21338	29.1
491.22998	3.9
491.30185	5.5
492.30743	1.5
517.20709	3.0
535.21838	100.0
535.29706	13.1
536.22406	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	535.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55495	1.3
59.01378	16.0
61.98829	10.8
68.99805	1.7
69.03458	1.3
70.01015	4.2
71.01380	2.4
71.05959	1.3
72.46386	1.3
72.99303	3.5
75.00438	1.6
75.00880	28.2
79.01898	1.6
85.02971	2.0
85.06586	1.9
86.10559	1.2
87.04510	3.8
89.02433	3.8
92.98084	1.4
96.99332	2.0
99.00892	2.2
99.04456	1.5
108.02178	3.8
109.02964	2.3
109.06600	1.8
109.68360	1.4
111.00877	2.1
111.04526	14.1
117.01957	2.3
122.99316	1.8
123.04504	2.7
123.08163	1.5
133.02994	2.7
135.03006	56.9
135.04544	2.3
138.03224	2.9
139.04007	1.9
143.77158	1.3
145.06528	1.4
149.02435	4.3
150.03259	1.5
151.04047	2.3
153.01910	1.4
162.03264	1.6
163.04018	2.5
165.01953	2.0
165.09128	1.9
166.02747	7.7
167.03645	1.6
169.01434	5.9
175.04008	1.4
177.01933	3.9
177.05516	1.7
178.02730	2.4
179.07169	2.6
181.08733	1.8
189.01994	1.4
189.05568	1.8
191.03468	2.2
191.07133	4.4
192.07867	1.3
193.01410	8.6
193.05031	2.3
193.08539	2.0
194.02168	2.9
203.03497	2.0
203.07164	2.0
205.01410	23.5
205.04718	1.8
205.06731	1.7
207.02982	5.3
207.06645	3.6
208.07390	9.9
209.08223	9.6
217.08771	1.6
218.05853	4.3
219.06628	17.3
220.07275	2.3
221.04648	3.1
221.08147	4.2
225.07751	1.5
231.06563	1.6
232.07349	1.8
233.00890	3.4
233.04543	3.2
233.08153	3.6
234.01657	2.3
235.02522	3.1
235.06126	9.1
236.06920	7.2
237.07724	2.6
246.05377	2.8
246.08939	1.6
247.06139	5.1
247.09747	1.6
248.06949	14.8
249.07574	4.4
260.06873	1.5
261.07669	6.7
263.05624	3.6
264.06424	3.0
267.05130	2.3
268.05902	2.2
274.08597	2.7
275.05579	1.7
276.06375	39.9
277.06992	7.7
279.08820	2.3
303.15961	2.7
304.05911	2.3
336.08612	2.7
357.13358	3.6
359.22101	2.2
361.20175	19.3
364.08142	6.5
385.20450	2.2
403.21347	2.0
411.14758	1.8
413.19690	4.4
429.19269	3.0
431.20563	1.9
445.22412	2.5
463.23248	8.7
473.21765	5.2
473.32224	1.6
475.19632	2.5
489.21317	32.6
490.21863	2.9
491.22882	4.6
491.29611	1.9
517.20514	3.9
517.32056	2.1
535.21826	100.0
535.31781	10.1
536.15240	1.6
536.21906	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	535.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.9
59.01379	7.4
61.98819	2.6
64.90501	0.5
65.00317	1.1
67.01885	2.3
71.01390	6.5
71.28868	0.7
73.02933	0.9
77.49242	0.6
81.03442	0.8
83.01389	1.3
83.02885	0.6
85.02956	2.5
89.02446	2.6
91.01898	7.4
92.97173	0.5
93.03448	0.6
95.01394	3.9
97.02935	0.6
97.67583	0.6
101.02460	2.3
107.01407	3.1
108.02156	5.3
109.02979	2.9
111.00890	3.1
113.02434	2.3
119.03473	0.6
121.02972	0.9
122.03743	0.8
123.00887	5.9
123.04536	30.9
124.01667	1.5
125.02460	7.5
133.03014	0.8
136.05322	1.4
137.02440	0.9
138.06894	1.1
139.00339	1.4
142.57620	0.6
149.02390	0.9
151.00365	6.5
151.03989	0.7
151.07668	1.1
152.01163	9.0
152.08482	3.7
153.01950	3.1
153.09216	4.7
160.01721	0.7
161.09767	0.8
161.25110	0.6
163.11269	1.9
164.01173	0.7
164.04834	1.7
165.01949	0.8
165.05495	0.7
166.02718	4.6
167.03508	100.0
167.07176	1.6
168.03825	2.5
169.01443	4.7
175.04013	0.8
177.09232	0.9
178.02704	0.7
179.03618	0.8
179.07156	1.2
179.10719	0.6
181.05106	2.0
193.05077	1.7
194.02194	3.4
195.02995	1.4
205.12343	7.0
209.04575	24.8
223.13464	1.1
235.06036	0.9
239.05614	2.9
240.00656	1.2
251.05553	0.8
255.05263	1.7
269.06723	6.3
283.99777	0.8
296.05322	0.6
311.07706	5.9
311.99158	9.4
312.99686	0.9
313.05710	1.9
327.01474	11.3
493.13885	1.2
535.14990	4.3
535.21918	85.2
536.22107	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.219
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.7
59.01099	0.4
59.01381	7.8
61.98553	0.4
61.98825	3.0
65.00308	0.9
66.88659	0.4
67.01897	3.2
68.75819	0.7
68.99806	1.0
69.03460	0.6
69.18663	3.2
71.01384	6.0
71.92283	0.4
72.99306	0.8
73.02959	0.8
81.03463	1.4
83.01370	1.0
85.02959	2.1
87.00874	1.0
89.02466	2.5
91.01895	7.9
93.32565	0.4
95.01394	2.5
96.99275	0.5
97.02985	0.9
100.17249	0.4
101.02444	3.3
107.01396	3.5
108.02184	5.8
109.02969	2.8
111.00906	3.0
113.02441	2.0
119.03492	0.9
121.02955	0.9
123.00910	5.7
123.04536	33.6
123.08154	0.5
124.01634	2.0
124.04877	0.7
125.02449	7.4
134.03743	0.5
135.04535	0.6
136.05296	1.8
137.02528	1.2
138.03203	0.8
138.06863	1.9
139.00371	1.3
139.03934	0.8
149.02466	0.4
149.06143	0.5
150.03183	1.1
151.00400	6.8
151.04050	1.0
151.07639	1.7
152.01161	9.2
152.08458	3.0
153.01938	2.7
153.09216	4.7
156.02203	1.0
161.09715	0.8
163.03896	0.5
163.11371	1.3
164.01205	0.7
164.04790	0.8
165.01961	1.0
165.05544	0.5
166.02718	6.7
167.03505	100.0
168.00574	0.5
168.03815	2.3
169.01434	4.5
175.04004	0.8
177.01936	0.5
179.03383	0.5
179.07135	1.5
179.10957	0.5
181.05064	3.8
184.01648	1.1
193.05054	1.3
194.02222	3.6
195.02997	1.4
200.01216	0.8
205.12332	6.5
209.04559	27.0
210.04929	0.8
221.11935	0.5
223.13513	1.2
228.00589	0.6
239.05663	2.5
240.00665	1.7
251.05638	0.5
255.05075	1.5
256.00018	0.5
269.06699	6.2
273.75702	0.5
274.06665	0.4
283.99716	1.4
300.99722	0.8
311.07776	5.1
311.96320	0.4
311.99149	16.4
312.99667	1.7
313.05695	2.0
327.01462	25.0
328.01859	1.5
383.13538	0.8
420.92099	0.5
475.12845	0.6
493.13605	1.3
535.15137	4.1
535.21924	84.5
535.32269	7.9
536.14960	0.6
536.22241	6.8
536.31787	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	15.2
61.98824	1.5
69.03427	0.5
70.78674	0.5
71.01031	0.6
71.01389	7.1
72.99294	0.8
73.02946	4.1
81.03449	0.5
83.01392	0.6
85.02959	2.2
87.00897	1.0
87.04518	0.4
87.91073	0.3
88.33617	0.4
88.55256	0.4
89.02444	5.6
95.01410	0.6
97.02972	0.8
99.92618	0.4
101.02445	7.9
103.04017	6.0
109.02965	0.6
109.83018	0.4
113.02435	0.6
115.04066	0.5
116.92854	1.4
119.03528	3.0
121.02986	0.5
122.00015	0.4
122.36978	0.4
124.01670	0.4
125.02459	8.2
127.03983	0.5
131.03500	1.3
133.02910	0.4
134.03729	0.5
135.04593	0.7
137.02461	1.0
143.03520	0.8
145.05057	1.4
153.01920	0.8
161.02458	0.7
163.06128	10.2
167.10780	100.0
168.11128	2.6
169.01500	0.8
175.03954	0.6
177.01973	0.6
179.03505	0.6
180.46439	0.4
193.05116	0.7
197.04541	0.8
205.07230	1.5
209.04549	0.5
241.10022	0.4
247.08241	1.4
285.04117	0.6
289.09335	0.6
300.99734	0.5
303.05069	0.7
307.10352	8.8
311.09311	0.5
343.01187	0.8
373.05615	0.8
373.25919	0.9
475.16055	0.6
475.21951	5.4
535.01996	0.8
535.13007	0.6
535.32269	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	535.313
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20639	0.3
52.46571	0.2
55.01877	1.2
57.03456	1.5
58.00593	1.0
59.01385	22.8
60.01739	0.2
61.98822	0.6
71.01390	10.5
71.05038	0.3
71.28547	0.3
72.01725	0.2
72.99323	1.3
73.02956	3.2
81.03445	0.4
83.01389	2.0
85.02960	3.8
87.00878	0.9
87.04517	0.3
87.35080	0.2
89.02457	6.3
93.03484	0.3
95.01395	0.8
95.05036	0.3
97.02954	0.3
97.06596	3.1
99.00884	0.8
99.04529	0.2
101.02454	6.1
108.02219	0.3
109.02972	0.2
111.00913	0.5
113.02470	3.1
119.03523	1.7
121.02948	0.3
123.00916	0.2
123.04565	1.5
123.08157	0.5
124.01669	0.3
125.02472	1.3
125.09756	0.7
127.11327	0.3
131.03545	0.4
137.02457	0.9
137.09731	0.3
139.11320	0.4
155.10744	0.4
161.04536	0.5
165.05551	0.5
167.03499	4.3
169.01486	0.5
171.10301	2.6
179.05641	0.4
185.11827	2.1
191.03525	0.4
199.13327	0.3
207.03044	0.4
211.13400	0.2
212.04793	0.4
215.12840	0.6
228.04416	0.4
233.08185	0.5
233.42107	0.2
237.14955	0.4
239.16521	0.4
240.22047	0.2
251.16508	0.3
255.06712	0.4
257.17621	6.1
258.18008	0.4
271.09772	0.3
283.06232	0.7
283.09476	0.3
287.18729	0.5
298.08499	0.8
313.07224	0.7
313.10870	2.8
313.24033	0.3
314.11148	0.3
325.23877	0.3
327.21799	0.3
329.14264	0.3
330.14642	0.6
337.23944	0.5
341.22403	0.2
341.96243	0.2
343.24838	0.7
345.17474	0.2
355.24936	4.9
356.11697	0.3
367.10529	0.3
371.24567	0.6
373.13028	0.5
373.25977	13.5
374.26300	0.8
415.27222	0.3
507.22488	2.4
508.22473	0.4
517.30713	1.5
535.31299	100.0
536.31689	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	535.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.0
57.03453	1.2
58.00583	1.5
59.01382	16.2
69.00229	3.9
69.00649	2.0
69.03448	1.2
71.01385	10.0
72.99294	0.6
73.02952	2.7
81.03451	0.6
82.16096	0.5
83.01390	1.4
85.02953	4.5
87.00872	1.0
87.04501	0.5
89.02445	5.6
95.01382	1.5
97.06583	0.8
98.21713	0.9
101.02462	6.0
108.02179	20.2
109.02965	11.9
113.02432	3.6
119.03494	1.6
119.85966	0.6
121.02959	0.6
122.03751	2.1
123.04527	1.7
125.02448	1.1
137.02446	0.9
139.11238	1.1
149.06105	0.9
152.01157	20.6
153.01944	5.6
157.12270	1.0
163.04076	0.7
166.99826	0.6
167.03516	2.4
168.00607	0.7
169.12498	0.6
184.24005	0.5
185.11816	4.5
201.11160	0.6
207.15929	0.6
215.12894	4.6
223.09750	1.1
237.11298	7.2
325.23578	0.7
343.24780	1.8
355.24869	6.0
373.25967	15.1
374.26416	1.0
395.50763	0.5
412.38162	0.6
517.30487	1.1
535.18726	25.8
535.31213	100.0
536.18817	4.2
536.31451	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	535.3281
Annotation	Dihydrosanjoinine A
Peak:m/z	Relative Intensity
51.37170	1.0
57.03444	2.0
59.01387	9.9
59.81871	1.0
60.99305	0.9
61.98821	1.3
71.01388	7.2
71.05022	1.9
72.99299	1.6
73.02962	6.9
82.95434	1.8
85.02951	1.4
89.02442	2.4
93.03488	1.4
95.01379	1.1
98.22534	2.3
99.04487	1.1
101.02454	1.7
107.01452	1.5
107.51424	0.9
108.02215	1.6
109.02975	5.6
111.24997	1.0
113.02443	1.3
121.02946	2.9
123.00875	2.5
123.04529	2.8
124.01632	1.2
125.02445	8.1
134.03737	3.4
137.02478	4.5
137.09767	1.2
139.00430	1.7
139.03972	1.1
149.02406	1.7
149.06078	2.3
151.00377	1.8
151.04088	1.6
152.01184	2.0
153.01910	1.3
160.01628	1.5
163.04027	1.6
165.01910	2.8
167.03496	6.3
168.00632	3.1
169.01462	6.4
173.09737	2.0
174.03183	1.3
175.03993	4.2
177.01877	1.1
177.09248	2.1
178.02754	1.0
180.04318	2.0
185.88654	1.0
190.06329	2.1
191.07182	2.6
192.00708	1.1
193.01399	3.7
193.05101	6.4
193.06696	1.4
203.03307	1.1
205.08693	2.4
207.06628	1.1
208.07317	1.2
209.04564	4.4
211.02525	1.2
235.06119	2.3
269.06738	2.0
289.07355	1.5
292.01190	1.1
300.99881	2.5
313.05881	1.7
327.07065	1.9
345.22141	2.0
359.15082	14.4
361.25479	1.4
373.12787	3.1
379.26398	1.5
393.28040	1.5
409.27493	1.1
411.29257	2.0
433.29544	2.1
439.28876	1.2
443.31775	5.3
445.29550	1.8
454.24640	1.0
459.31369	1.9
461.32892	13.7
462.33231	1.0
473.32721	1.8
475.70190	1.1
491.33881	27.2
492.34286	2.5
505.32037	1.3
535.18262	9.1
535.32794	100.0
536.33209	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	535.3283
Annotation	Fungicide K 99-5278A
Peak:m/z	Relative Intensity
51.45187	1.1
53.02579	0.9
54.10871	0.9
54.12465	1.0
57.03455	1.5
58.78710	1.0
59.01382	21.0
61.98837	7.5
69.39857	6.5
71.01389	1.4
71.05025	1.2
73.02963	2.3
75.00869	1.3
80.96507	1.2
85.02973	2.4
87.00881	0.9
87.04525	2.5
95.95581	1.0
97.06629	0.9
108.02194	4.5
109.02972	1.3
111.00877	1.2
111.04507	1.1
123.04546	3.2
123.08141	1.3
125.06143	1.0
137.02512	1.6
151.04030	2.4
153.09354	1.2
163.04034	1.2
165.05664	1.4
180.96954	1.0
181.08705	2.8
189.12860	1.2
191.07182	3.8
191.14403	7.3
193.15974	15.3
203.14438	1.7
205.15924	8.5
207.06642	1.3
207.14006	1.5
219.06635	1.1
221.15514	16.0
223.17145	4.1
235.06125	1.3
242.81279	1.0
249.15074	4.2
267.16016	41.7
268.16501	1.9
311.39142	1.2
411.14828	2.7
454.16077	1.9
454.66208	1.2
471.31241	1.5
473.32907	2.1
475.34616	2.8
491.34009	1.3
517.20892	1.3
517.32141	7.0
535.19769	2.7
535.32941	100.0
536.33344	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	535.3406
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47268	0.9
70.96679	1.0
70.97018	1.3
78.95901	2.6
116.55947	0.8
189.79297	0.8
195.48340	0.9
196.89447	7.2
267.65424	0.8
373.64914	0.9
453.33759	100.0
454.34134	11.0
493.72272	1.1
535.34143	46.5
536.34497	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.8
59.01384	100.0
61.98833	1.9
69.99477	1.9
71.01397	1.2
90.51766	0.6
98.21913	1.0
108.02226	1.6
123.04541	0.7
135.04622	0.9
153.01907	0.6
166.87321	0.6
177.01953	0.8
179.07207	0.7
181.08745	1.4
193.05133	0.8
233.08214	0.9
261.07758	1.8
367.52686	0.7
411.14539	0.9
457.33340	3.9
489.21643	0.7
503.17444	1.5
535.20831	1.2
535.33600	5.5
536.32019	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01715	0.5
61.98827	1.0
69.52760	2.2
71.01400	1.8
72.99328	0.4
73.02947	0.5
74.48692	0.4
78.61473	0.3
85.02950	0.9
89.02467	0.9
93.03477	0.6
96.16759	0.4
101.02489	1.2
107.05019	0.3
108.02209	0.4
113.02505	0.8
119.03509	0.5
123.00913	0.4
123.04568	0.7
125.02469	0.8
135.04543	0.4
137.02464	1.9
151.04083	0.5
161.02505	0.7
166.09621	0.4
167.03491	0.4
179.03458	0.5
193.08751	0.5
209.08240	0.8
298.04987	1.4
313.07349	1.0
342.68814	0.3
355.25131	1.0
357.05881	0.4
372.08630	0.9
373.16763	1.4
373.26120	1.5
535.18616	0.7
535.31805	9.0
536.32172	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09093	0.6
50.82620	0.5
55.01878	0.5
57.03452	1.3
59.01381	100.0
60.01738	0.5
61.98828	4.4
68.99824	0.6
69.37359	3.3
71.01393	5.3
72.99323	0.5
73.02947	1.5
77.15674	0.5
78.95926	0.8
83.01405	1.2
83.05003	0.6
85.02957	3.4
87.00905	0.8
87.04478	0.5
89.02457	2.0
93.03461	13.9
95.01412	1.9
97.02967	0.7
99.00889	0.9
101.02437	3.8
107.05048	0.7
108.02193	3.3
109.02991	1.0
111.00937	0.6
113.02483	2.1
113.24580	0.6
121.02993	0.9
121.06657	0.6
123.00913	1.9
123.04556	1.6
125.02469	2.1
135.04567	2.9
136.01686	4.5
137.02455	29.8
139.00395	0.7
139.04034	0.8
140.01173	0.5
149.02534	1.0
151.00473	0.6
151.04010	1.3
152.01256	1.1
161.02419	0.5
163.04037	9.7
163.07613	0.7
164.04810	14.0
165.05580	1.4
167.03502	1.1
168.00624	0.7
169.01474	2.1
175.07652	0.6
177.05545	0.6
178.06375	2.6
179.03580	2.2
179.07140	13.6
195.87915	0.6
205.05165	0.5
209.08234	0.7
217.05087	0.7
218.05925	1.2
221.04710	0.7
233.08191	3.0
239.05655	0.9
261.07718	4.4
273.02914	0.6
364.01727	0.6
373.12726	0.8
373.16702	6.0
373.26129	2.0
374.16995	0.8
465.21017	3.2
475.34888	0.8
487.30713	1.3
492.75452	0.6
517.19482	0.9
517.28522	1.0
535.18451	1.9
535.25775	40.8
535.32831	10.3
536.25763	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	535.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
61.98836	1.4
62.48517	0.4
67.93352	0.4
73.02952	0.6
73.86554	0.4
77.18194	0.4
98.22646	0.7
125.02510	0.5
140.10712	0.4
181.08727	0.6
209.08344	0.4
473.33365	0.5
517.31384	1.0
535.20599	0.4
535.33600	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	536.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09689	0.3
55.01899	0.3
57.03449	0.7
59.01384	8.3
61.98835	100.0
62.08756	0.3
63.96247	0.4
71.01388	6.7
71.29429	0.4
72.99335	0.6
73.02955	2.7
74.00710	0.6
83.01410	1.5
85.02957	3.5
85.03338	0.3
87.00893	1.2
89.02448	2.7
93.03497	0.9
95.01423	0.7
99.00896	0.7
101.02455	6.4
103.04002	0.7
107.01365	0.5
108.02219	1.2
109.03001	0.8
111.00906	0.6
111.04526	0.3
112.39214	0.3
113.02448	2.8
116.08843	0.3
119.03545	1.3
120.99679	1.0
121.03027	0.3
123.00977	0.6
123.04584	0.4
124.01717	0.4
125.02472	1.8
134.99991	0.9
135.04686	0.3
136.01735	0.4
137.02495	1.7
139.00407	0.4
143.03564	0.4
148.05292	0.4
149.04674	0.5
151.00429	0.8
151.03999	0.4
152.01213	0.9
161.04567	2.8
163.06178	0.8
164.04861	1.1
166.06447	1.0
166.19380	0.3
168.00696	0.6
169.01431	2.1
179.03508	0.4
179.07231	1.0
181.08789	0.4
183.10315	0.4
193.05177	0.5
205.05096	0.4
211.02580	0.9
259.18512	0.3
271.04800	1.5
287.17010	0.4
331.17712	3.7
339.13000	0.4
345.13971	0.4
374.13293	0.6
375.14771	0.4
449.22690	0.4
477.23444	12.4
536.24097	0.7
537.12189	0.8
537.24011	3.9
537.33386	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32937	2.5
59.01379	8.0
61.98822	11.3
69.28423	16.2
71.01403	4.2
77.87165	2.6
83.05022	6.1
146.12119	2.6
169.01413	3.7
191.14400	7.6
195.06593	2.7
260.08694	2.8
331.19162	100.0
332.19565	5.4
398.96048	2.7
459.13882	3.6
462.16385	8.6
474.16455	8.8
518.14771	3.3
536.32544	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	536.324
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	15.3
61.98838	100.0
71.01373	8.1
75.00871	16.0
96.96058	5.9
97.74519	5.2
101.81188	5.6
107.13123	5.8
111.04522	12.7
133.02956	13.1
135.03008	34.7
135.04622	5.4
135.27632	5.2
136.03281	11.3
137.02467	5.9
149.02428	6.9
160.01653	6.4
166.02678	6.1
175.04070	12.6
179.03555	8.0
181.08627	10.8
193.01552	5.7
205.01387	13.0
208.07297	9.1
209.08173	11.3
219.06541	7.0
220.07124	5.8
236.06483	9.3
246.05278	5.8
247.06125	6.6
248.06808	7.2
249.07234	6.8
276.06363	12.7
277.06830	12.7
301.03583	13.3
333.97916	5.3
362.20691	14.5
365.08719	8.9
448.14825	12.9
463.27185	9.7
464.23380	5.9
490.21671	21.0
536.22150	70.6
536.30444	16.5
537.30945	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	7.4
61.98833	100.0
66.05299	2.0
71.72368	2.0
75.66645	2.0
76.49477	2.2
116.95593	2.5
132.66481	2.2
136.23589	2.0
142.85373	2.3
153.53233	1.9
192.58940	2.3
203.49785	2.2
221.78117	1.9
227.15765	2.1
537.29547	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	537.0828
Annotation	Amentoflavone
Peak:m/z	Relative Intensity
59.01396	5.0
59.01647	0.9
60.08791	1.0
61.98829	4.1
63.02386	3.2
65.00307	3.3
66.08907	1.0
67.03147	0.8
67.95905	1.0
68.88840	1.2
70.04065	3.1
83.01381	1.7
93.03475	3.9
107.01392	3.0
109.79917	1.2
111.30620	1.1
117.03477	13.0
137.02489	1.0
149.02373	1.3
151.00386	4.6
159.04539	5.7
161.02501	1.5
178.36461	1.0
179.05002	1.5
203.03534	1.4
223.04008	1.3
263.07239	1.1
305.04541	4.7
307.06253	7.7
309.04062	2.6
331.06155	26.1
332.06598	1.2
333.04166	6.0
343.06015	1.4
357.04059	2.6
373.07187	1.2
375.05124	84.2
376.05405	4.8
399.05182	15.2
400.05762	1.2
401.03085	4.3
417.06186	21.5
418.06555	2.0
443.04111	5.0
501.32535	1.4
537.08325	100.0
537.33838	3.8
538.08490	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	537.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07477	0.9
57.03440	1.6
58.03429	0.9
59.01381	4.6
60.97126	1.0
60.99308	18.0
61.07061	1.0
65.00319	1.0
69.35311	5.8
71.01394	6.0
83.01407	1.7
85.02975	2.9
87.00925	1.1
88.47646	0.9
88.98814	100.0
89.02473	1.9
93.03477	1.9
95.01418	1.1
95.16278	1.0
98.22597	1.5
101.02474	3.6
107.01416	6.2
109.02978	2.1
111.00908	2.4
121.02989	2.0
123.00891	12.2
124.01682	1.6
125.02453	22.4
125.77077	1.2
127.00391	2.0
137.02483	3.5
139.00378	6.0
140.01167	2.2
141.01952	1.1
143.92534	1.2
149.06108	1.1
151.00368	17.2
151.01411	1.4
153.01959	1.1
160.82326	0.9
163.00427	2.0
164.04861	1.2
166.06422	1.9
168.00700	3.9
169.01443	23.5
178.99918	4.4
179.07253	1.3
193.12343	1.1
211.02544	2.0
223.09795	1.5
225.13559	1.0
227.03595	1.9
243.03177	2.6
255.03018	9.9
271.02429	18.7
300.02771	43.5
301.03510	28.4
301.06680	1.8
302.04120	2.0
307.48044	1.0
313.05881	3.9
388.25632	1.0
408.32486	1.1
427.57574	1.1
447.09366	67.3
448.09772	4.9
537.20038	67.3
538.20355	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	537.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73042	0.8
51.81806	0.9
59.01374	7.4
67.01889	1.2
69.23809	2.2
69.24219	5.3
71.01384	11.1
73.02956	1.2
79.01925	1.3
83.01385	2.5
85.02964	2.7
87.00867	1.4
89.02437	8.3
95.01414	1.9
97.02959	1.2
101.02431	3.9
103.36284	1.1
107.01393	12.6
109.02957	4.0
111.00890	3.1
113.02435	3.1
119.03505	2.0
121.02879	1.3
123.00890	7.8
123.04501	1.3
125.02450	72.8
127.00373	1.3
135.04475	1.9
136.01663	2.6
136.98782	1.4
137.02403	2.7
139.00352	3.7
139.04007	1.4
140.01164	3.0
141.01959	2.2
146.08228	1.1
149.02454	8.7
150.03227	2.0
151.00371	6.5
151.03967	3.4
152.01147	2.7
153.01909	2.0
160.03946	0.9
161.04538	1.6
163.03967	2.1
164.04810	6.6
165.01956	1.6
165.05597	1.9
167.03459	1.4
168.00626	4.3
169.01430	90.2
170.01794	1.4
173.02419	0.9
179.05661	1.4
179.07149	1.7
181.05080	2.3
183.02969	2.3
189.01930	1.0
193.01402	6.6
194.02182	3.2
196.73332	1.0
208.03770	13.3
209.04504	9.1
211.02448	2.1
223.06123	13.0
241.03526	3.5
245.08115	1.0
257.08011	1.2
279.06500	1.1
289.07132	1.7
295.10980	1.4
297.11136	1.1
312.10095	2.2
313.05640	45.4
314.06052	2.3
323.45551	1.0
327.07230	3.4
327.12354	7.8
345.13354	1.6
375.14499	1.3
415.11343	1.2
447.13849	5.2
493.13715	7.8
537.12421	100.0
538.12616	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	537.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	7.7
63.96225	1.8
69.18515	3.5
69.18929	2.1
71.01387	7.2
71.05026	1.3
72.99333	1.5
73.02951	1.9
83.01399	1.5
85.02966	3.0
87.00876	1.3
89.02448	4.2
91.01922	2.3
93.03472	1.0
95.01383	1.0
99.00898	0.8
99.04501	0.8
101.02465	3.4
102.97282	0.7
107.40634	0.7
108.02206	1.8
109.02968	1.4
110.00127	1.1
111.00901	2.4
113.00439	0.7
113.02477	2.0
115.59342	0.8
117.97338	1.1
119.01403	6.7
119.03500	1.6
121.02993	2.9
123.00900	1.8
123.04494	1.5
124.01677	1.4
125.02448	4.7
134.03717	0.9
135.04518	2.9
135.98343	3.5
137.02463	1.1
137.99579	1.0
139.00381	26.7
139.04024	1.4
147.00894	3.9
149.02463	13.3
150.03270	1.5
151.04042	1.2
151.93382	0.7
152.01149	4.3
153.01939	14.8
154.02722	21.7
155.03485	0.9
160.95212	0.8
161.02426	0.9
161.04604	1.9
162.03203	1.7
163.04033	3.1
164.03508	0.9
164.04810	11.8
165.01962	2.0
165.05568	1.1
167.03496	3.0
168.00653	0.9
168.04276	5.5
169.01439	4.1
169.05070	15.6
175.00374	38.5
176.01105	3.8
176.14597	0.6
177.05609	0.8
179.03497	1.7
179.07135	3.4
180.04247	1.2
181.05080	0.9
189.01991	1.0
190.02724	98.8
191.03351	6.9
192.07870	1.5
193.01311	0.9
193.05127	1.7
195.06584	1.7
205.05063	100.0
206.05411	3.2
207.10298	2.6
208.03773	2.4
209.04575	2.4
211.02478	1.2
223.06116	13.1
247.06026	0.9
253.10814	9.2
271.04480	1.3
285.04025	1.0
295.08301	0.9
337.09387	1.2
353.08560	3.3
367.10303	27.8
368.10455	1.3
375.14566	4.3
375.27554	0.8
389.25467	2.0
522.13824	0.9
537.16003	55.9
537.23419	6.0
537.32800	2.7
538.16400	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	537.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16799	1.4
57.03445	3.0
59.01378	12.7
61.98833	12.4
67.01890	1.6
67.52058	1.3
70.33526	1.2
71.01384	7.9
71.05009	4.2
72.99310	1.4
73.02934	1.8
75.00887	1.6
79.01906	2.1
81.03427	2.2
83.01349	2.8
85.02950	5.2
89.02436	4.5
95.01383	3.9
95.05035	4.8
97.02953	4.5
101.02460	5.9
105.03457	1.5
107.01415	9.9
107.05074	1.8
108.02246	1.8
109.02968	3.7
110.00043	1.3
111.00924	6.5
113.02429	3.8
121.02899	3.6
123.00896	12.5
123.04524	2.4
123.08187	1.5
124.01687	5.0
125.02458	68.9
125.06092	6.2
126.02818	2.9
136.98799	2.3
137.02452	2.2
137.06076	2.2
137.09741	2.9
139.00426	9.0
139.04024	34.4
140.01157	7.0
149.02443	4.8
151.00378	10.0
151.04044	2.2
153.01952	1.9
154.02632	2.9
163.03989	4.3
164.04799	2.4
165.01997	1.6
165.05617	2.7
167.03598	2.3
168.00679	12.2
169.01437	81.7
169.05061	3.9
170.01793	2.0
179.03517	3.5
179.07140	2.6
179.10796	20.9
180.92708	1.4
181.05067	4.4
183.10172	1.5
193.04945	1.6
193.08702	3.8
195.06638	2.4
209.08136	2.6
211.02449	1.7
223.09767	75.5
224.10112	3.1
265.10788	2.3
301.09299	1.6
313.05670	64.8
314.06039	3.7
331.06760	3.0
357.26392	1.7
367.13260	1.9
375.14392	1.7
375.27469	4.2
385.15021	11.2
453.10410	14.0
511.05783	1.6
519.15302	3.4
537.16125	100.0
537.32782	27.4
538.16235	8.6
538.33252	2.4
548.27771	1.6
555.08057	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90791	0.5
55.01874	1.3
56.20373	0.6
59.01382	7.9
61.98830	0.5
64.96840	0.5
65.00307	0.6
67.01909	1.0
69.03463	1.3
69.38527	3.2
71.01385	9.6
71.05027	4.4
72.48309	0.5
73.02940	2.0
79.01893	2.5
83.01386	1.9
84.25359	0.5
85.02967	1.8
87.00869	0.9
89.02444	2.9
93.03474	0.8
95.01396	2.0
95.05029	5.1
97.02950	5.5
98.21770	1.0
99.00914	0.6
99.08185	0.8
99.18817	0.6
101.02431	3.5
101.06101	1.1
107.01385	10.0
107.05000	0.7
108.02209	0.5
109.02969	1.1
109.06599	0.9
110.00027	0.7
111.00893	3.1
111.04527	0.6
113.02464	3.2
119.03530	0.8
119.05032	0.7
121.02950	1.8
123.00894	8.9
123.04514	1.9
123.08179	1.7
124.01673	2.1
125.02453	68.1
125.06078	9.4
126.02795	1.5
127.00376	0.7
128.23871	0.5
135.04538	0.5
136.01711	0.8
136.98849	0.8
137.02457	3.0
137.09761	2.5
138.03221	1.3
139.00417	3.6
139.04021	35.5
140.01208	3.0
140.04414	0.9
141.01936	1.5
144.56337	0.6
148.05310	2.1
149.02429	1.0
149.06067	0.8
151.00374	6.7
151.04019	7.4
152.01183	0.6
153.01967	1.4
155.10789	0.8
161.04597	1.3
161.09749	2.2
163.04031	2.2
163.07632	0.7
165.01939	2.1
165.05562	1.5
166.02725	0.7
167.03488	2.2
168.00656	4.8
169.01433	95.3
170.01779	2.3
177.01971	0.6
177.09245	1.5
178.02689	1.6
179.03479	1.5
179.05681	0.5
179.10774	21.2
180.04266	2.0
180.11058	1.4
181.05096	2.3
190.02744	1.1
193.05069	2.9
195.06677	1.3
205.05009	1.1
205.08740	2.4
211.02487	9.8
221.06522	0.7
221.11800	0.8
223.09767	65.7
223.32957	0.6
224.10086	3.2
224.36946	0.5
241.03679	3.4
250.60226	0.6
253.03545	1.2
255.57986	0.6
265.10852	0.8
271.04617	10.1
313.05667	54.8
314.06000	2.7
331.06653	1.5
367.10339	0.7
375.14322	1.2
375.27509	1.9
385.15057	1.3
397.11490	1.4
453.10440	17.5
454.10773	1.2
519.15582	0.8
537.16095	100.0
537.32349	5.0
538.16302	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	537.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.2
61.98825	0.7
69.03471	1.1
71.01379	7.5
73.02919	1.4
83.01377	1.5
85.02921	1.6
85.06602	4.4
87.00872	2.0
89.02432	2.7
95.01371	1.1
97.02957	2.2
98.21701	1.0
101.02436	3.8
107.01403	8.1
107.05060	1.3
108.02090	0.9
109.02932	1.6
109.06548	1.7
111.00883	1.8
111.04536	10.8
113.02448	2.6
117.10614	0.7
123.00893	6.7
123.04509	0.7
123.08169	5.6
124.01647	1.0
125.02456	51.3
126.02824	1.2
127.00461	0.6
128.96516	0.6
133.10323	0.6
135.04570	0.9
136.98814	0.9
137.02431	1.4
139.00369	2.8
139.04021	0.8
140.01129	2.9
141.01862	0.9
151.00366	5.4
151.04057	0.9
153.01985	0.9
153.05591	27.2
161.04587	0.9
161.09705	0.9
163.04062	0.8
164.04803	1.5
165.01718	0.6
165.05545	0.8
166.99835	0.7
167.03482	0.8
168.00650	4.5
169.01434	71.2
170.01891	0.7
177.05534	1.6
177.09160	1.5
179.03490	1.3
179.07072	1.4
179.09340	1.1
179.10783	12.4
195.13834	0.7
205.08717	1.4
211.02478	4.8
213.14961	2.3
223.09763	46.9
224.10020	1.6
241.03584	4.0
271.04599	7.1
297.06281	1.2
313.05664	38.1
314.06125	1.4
341.10648	1.6
375.14383	1.0
375.27414	2.0
385.15042	1.1
449.11145	0.8
453.52457	0.7
454.01639	0.8
467.11978	17.2
519.15161	2.8
537.16101	100.0
538.16559	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	537.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66186	0.6
55.01909	0.8
57.03469	1.2
59.01385	9.7
61.98878	1.5
65.00362	0.6
67.01891	0.7
69.03475	1.3
71.01395	6.1
71.05057	1.6
71.28563	0.8
72.99335	0.9
73.02995	1.9
79.01936	2.2
79.05556	0.5
79.97614	0.6
81.03497	1.3
83.01424	1.7
85.02944	2.9
87.00921	0.8
89.02455	3.0
93.03516	1.6
95.01460	1.7
95.05048	3.5
97.02959	3.6
97.06623	0.7
99.08234	1.6
101.02435	4.2
107.01395	7.8
108.02235	0.8
109.03004	1.1
111.00913	1.7
113.02480	3.0
119.03525	1.1
119.05070	0.5
120.73588	0.5
121.03005	1.9
123.00890	6.0
123.04581	2.1
123.08180	1.2
124.01733	1.2
125.02459	48.0
125.06091	4.4
126.02839	0.7
127.00352	1.0
135.04567	1.3
136.98953	0.9
137.02484	2.7
137.06119	1.0
137.09706	2.6
138.03305	0.5
138.59337	0.6
139.00381	9.5
139.01276	0.8
139.04024	15.0
140.01195	3.3
141.01979	0.7
149.02496	2.4
149.06171	0.7
151.00365	5.0
151.04008	1.2
151.07668	0.7
153.02016	1.3
161.04642	1.2
161.09676	1.1
163.04048	1.9
164.04828	0.9
165.01921	0.8
165.05576	1.4
166.02718	0.8
167.03488	3.7
168.00648	2.7
169.01442	49.3
170.01933	0.7
177.09253	0.9
179.07143	1.0
179.10793	14.4
181.01448	0.6
181.05103	2.3
181.08736	2.4
191.03506	1.1
193.05081	1.2
193.08603	1.2
195.06622	0.6
205.08704	1.8
209.04431	0.7
211.02481	1.5
223.09773	100.0
224.10126	4.3
225.04198	1.1
265.10809	1.7
271.04541	3.0
299.99191	0.7
301.05780	3.8
313.05661	43.7
314.05954	1.8
331.06833	1.0
357.13000	0.6
357.25870	1.0
367.13885	1.1
373.25876	1.0
374.26212	1.2
375.14481	3.4
375.27194	2.8
385.14914	0.8
474.21780	0.6
493.16898	1.5
519.30670	0.6
536.31641	7.9
537.07153	1.4
537.15759	37.2
537.32117	26.8
538.16046	3.5
538.31934	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.4
56.73039	0.6
59.01372	3.4
59.93534	0.5
61.98827	1.6
66.69953	0.6
67.79761	0.7
69.03447	1.1
71.01389	3.2
73.02956	1.6
73.21072	0.5
79.01891	2.0
79.35698	0.5
81.03468	0.9
83.01393	1.7
85.02947	1.9
85.06599	3.5
87.00866	0.9
87.04510	1.2
89.02440	0.8
95.01397	1.0
97.02945	2.0
98.22527	1.3
101.02429	2.6
107.01404	9.0
107.05048	0.7
109.06577	2.0
111.00900	2.1
111.04537	9.2
113.02438	2.1
118.09133	0.5
119.03618	0.6
121.02962	0.6
123.00893	7.5
123.04562	0.6
123.08167	5.1
124.01668	1.4
125.02457	58.1
126.02797	1.0
127.00355	1.1
135.04489	1.0
136.98810	1.3
137.02467	1.3
139.00407	3.7
139.04059	0.9
140.01208	3.1
149.06107	0.6
151.00385	5.9
151.03983	0.9
152.01106	0.6
153.05591	19.4
165.05562	0.6
167.07190	0.7
168.00633	5.5
169.01436	61.9
170.01828	1.1
170.93918	0.5
177.05591	1.4
177.09186	2.1
179.03476	2.0
179.10782	11.6
179.12239	0.5
180.04306	0.7
193.01311	0.6
205.08670	1.4
209.08168	1.5
211.02533	1.2
221.08253	1.0
221.12231	0.6
223.09770	100.0
224.10097	3.8
253.03569	0.9
271.04541	1.9
313.05679	46.9
314.05933	1.9
331.06845	0.9
367.13776	0.9
373.16052	0.6
519.14807	1.0
522.73627	0.5
530.46582	0.7
537.16144	57.0
538.16388	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	537.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29777	4.3
59.01385	100.0
61.98837	12.3
62.21997	3.7
63.71116	4.0
66.98450	4.2
71.01408	6.2
71.29010	4.6
73.02940	4.2
74.96173	3.8
87.88132	4.1
88.43472	4.4
89.88484	4.2
96.96031	45.4
123.00904	8.5
125.02467	26.8
134.03777	6.0
139.04041	15.3
139.54422	4.6
147.00899	28.5
148.01712	9.8
149.06070	5.9
162.03218	30.3
163.04013	8.4
169.01454	34.4
175.03973	4.9
179.10793	26.2
223.09753	62.2
230.44881	4.4
240.04189	4.1
253.04984	4.3
267.06598	6.4
269.04529	12.6
271.04538	6.8
283.06232	5.4
284.07043	9.6
299.09274	88.0
313.05695	16.9
440.37152	5.1
457.33163	4.6
459.14752	5.5
489.19107	7.3
537.16235	83.8
537.23737	9.7
537.33734	22.9
538.16479	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01128	0.6
59.01384	6.5
59.55827	0.6
62.24129	0.5
67.06219	0.4
69.87663	0.4
70.93442	0.9
71.01391	4.7
72.99300	0.6
79.01900	0.5
81.79686	0.5
82.25151	0.5
83.01377	0.8
85.02933	1.7
88.15952	0.5
89.02431	2.9
95.01381	1.4
96.95995	0.7
97.02929	1.0
101.02451	2.2
107.01391	3.6
109.02952	0.7
110.00156	0.6
111.00901	2.9
113.02415	1.2
119.03513	0.6
123.00893	6.4
123.04491	0.6
124.01678	2.1
125.02458	26.0
127.00368	1.0
136.98801	1.9
137.02475	0.8
139.00336	4.1
139.04021	0.8
140.01184	4.7
141.01888	0.7
142.43362	0.5
144.78015	0.5
149.02353	0.6
151.00357	4.0
151.04033	1.5
151.08868	0.5
153.01993	0.8
153.09303	0.5
161.02466	0.5
161.04596	0.5
165.01939	0.7
167.03482	1.4
167.99211	0.7
168.00648	12.4
169.01439	33.3
170.01732	1.0
177.01921	0.6
179.03456	1.2
183.03018	0.6
187.18051	0.6
211.02487	54.6
212.02821	1.9
222.13666	0.5
241.03465	1.1
271.04602	100.0
272.04987	3.9
313.05634	0.6
331.06738	21.1
331.17920	0.6
332.07065	1.1
339.12476	0.6
375.14688	1.0
477.23779	1.7
505.67661	0.6
537.19873	35.8
538.20074	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	8.7
61.23260	0.6
65.81994	0.5
69.71975	1.3
69.72367	1.1
71.01378	4.7
72.99294	0.9
73.02958	0.8
76.03421	0.6
79.01883	0.6
85.02953	1.9
87.00878	0.9
89.02444	3.5
95.01421	1.2
99.00954	0.7
101.02446	1.8
107.01420	3.6
108.02173	0.6
109.03001	0.7
111.00883	2.9
113.02467	1.8
119.03550	1.0
123.00910	3.4
123.04555	0.8
124.01711	1.7
125.02458	21.2
127.00423	0.8
136.01674	1.4
136.98874	1.2
139.00299	2.8
139.11325	0.7
140.01222	3.3
149.89827	0.6
151.00371	2.2
151.04010	1.4
167.03511	1.7
168.00648	13.0
169.01440	30.2
170.01772	1.1
179.03511	1.0
183.03113	0.6
183.10202	1.6
211.02490	55.4
212.02829	1.5
225.11301	0.8
241.03526	0.9
243.12352	1.6
271.04605	100.0
272.04947	4.4
331.06702	22.1
332.07059	1.0
345.15729	0.8
349.34656	0.6
356.91013	0.6
363.23392	0.6
405.17520	0.7
459.18643	1.1
477.19473	0.8
493.16934	0.6
507.18738	0.8
537.20209	10.4
538.20404	1.2
563.83331	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.4
57.21413	0.5
59.01384	5.1
67.01891	1.0
69.03453	0.4
70.92606	0.6
71.01390	3.4
72.96011	0.3
72.99288	0.6
73.02950	0.5
79.01889	0.9
83.01398	0.7
85.02958	1.0
89.02456	1.7
95.01418	2.1
97.02975	0.9
101.02475	2.0
107.01396	4.0
109.03035	0.4
111.00915	2.4
113.02475	1.0
123.00900	15.0
124.01669	1.6
125.02459	19.3
126.84577	0.3
127.00402	0.8
136.05293	0.9
136.98814	1.6
138.06900	0.6
139.00389	5.5
140.01189	4.5
141.01930	1.7
151.00392	10.0
152.08450	0.4
153.01988	0.6
153.09222	0.8
163.04059	0.5
163.11331	0.9
166.99821	0.4
167.03540	0.5
168.00658	4.7
169.01445	25.1
170.01778	0.5
205.12358	1.5
211.02510	7.4
271.04642	5.1
313.05762	2.0
474.11115	0.4
537.19824	100.0
538.20111	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	537.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.6
58.00594	0.7
59.01105	0.7
59.01381	12.8
67.01868	0.8
69.42911	3.4
71.01381	6.9
72.99299	0.9
73.02932	1.3
75.00861	0.9
79.01888	0.9
83.01383	1.1
83.07531	0.5
85.02936	2.1
87.00893	1.2
89.02444	2.3
95.01387	1.9
100.33594	0.6
101.02470	2.8
107.01402	4.0
108.02197	1.1
109.02920	0.7
111.00868	2.6
111.64632	0.6
113.02476	3.1
119.03548	0.8
123.00894	12.2
123.04559	0.7
124.01711	0.7
125.02457	18.2
135.04546	0.6
136.01547	0.6
136.05319	0.8
136.98782	1.1
139.00346	5.1
139.11229	1.6
140.01170	3.8
141.01909	1.9
151.00369	8.8
153.01903	1.1
154.99823	0.6
162.62874	0.6
168.00659	5.6
169.01433	23.3
170.01648	0.6
177.04056	0.7
183.10262	1.8
194.93231	0.7
195.03096	0.7
205.12386	1.6
207.06549	0.6
211.02505	8.2
221.04510	0.9
227.12971	0.8
243.12411	5.3
249.06099	1.0
271.04581	7.1
285.13385	2.1
313.05643	2.1
315.14542	0.8
345.15482	1.9
357.13480	0.7
405.17645	2.2
537.19867	100.0
538.20288	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	537.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.9
57.03442	0.9
58.21804	0.4
59.01093	0.9
59.01382	15.6
65.00349	0.7
67.01888	1.1
68.99837	0.8
69.03474	0.8
71.01387	9.8
72.41015	0.5
72.99300	1.7
73.02949	2.1
73.95525	0.5
79.01896	1.7
83.01400	2.4
85.02974	3.4
85.03465	0.7
87.00864	1.7
89.02456	4.8
93.03481	0.6
95.01399	3.2
97.02962	0.8
99.00883	1.0
101.02455	7.4
107.01402	6.4
108.02206	2.4
109.02969	0.9
110.00108	1.0
111.00889	5.2
113.02460	3.4
119.03537	1.2
123.00893	18.2
123.04515	1.3
124.01660	2.5
125.02460	24.7
127.00366	2.1
135.13925	0.5
136.98816	3.0
137.02408	1.0
139.00395	8.5
139.04025	0.6
139.11292	0.7
140.01151	7.9
141.01915	1.8
148.05363	0.6
151.00372	10.8
151.03979	1.7
152.01105	1.5
153.01952	1.8
154.99934	0.9
161.04588	2.2
163.03970	0.6
163.07652	0.5
164.04912	0.6
167.03523	1.1
167.99208	1.1
168.00658	23.4
169.01434	31.3
170.01848	0.9
179.03445	0.6
182.73970	0.5
183.10284	1.3
193.05101	1.3
207.06621	1.3
211.02504	7.4
223.09755	0.6
225.07718	0.8
225.11308	0.6
241.03682	0.6
243.12349	2.6
271.04593	6.1
297.06177	4.6
313.05746	2.7
331.06787	1.5
331.17621	3.0
345.13309	0.7
353.79361	0.6
375.14499	2.1
383.77271	0.6
392.03217	0.5
477.23602	8.5
478.24075	0.7
493.17038	0.9
519.18738	30.5
520.19324	2.9
532.06097	0.6
537.19800	100.0
538.20184	10.4
546.57050	0.6
550.80225	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.198
Annotation	Mallophenol B
Peak:m/z	Relative Intensity
54.71207	0.6
55.22562	0.5
55.49517	0.6
59.01381	2.8
61.98817	0.6
67.01886	0.7
69.03451	1.0
69.13146	4.0
71.01393	6.7
72.99330	0.6
81.03458	0.8
83.01377	1.3
83.10347	0.7
85.02961	1.7
87.00865	0.6
93.03461	0.8
95.01395	1.1
95.56062	0.6
95.67118	0.6
97.02962	1.3
98.22543	1.2
101.02461	1.5
107.01404	9.9
108.02183	0.8
109.02950	1.6
111.00877	1.6
113.02383	0.8
123.00880	7.6
124.01699	0.8
125.02457	67.2
126.02773	1.8
127.00446	0.6
137.02454	1.5
139.00352	4.8
139.04019	0.7
140.01164	2.2
141.01974	1.1
151.00371	7.4
152.00974	0.7
153.01924	1.6
154.02721	1.6
155.03485	0.7
167.03548	1.1
168.00633	4.6
168.04047	0.6
169.01436	100.0
169.05110	3.6
170.01775	2.4
179.03479	0.7
193.01408	1.2
211.02444	4.3
223.02448	0.9
223.09856	0.9
232.54134	0.6
241.03453	4.8
271.04608	5.5
313.05682	62.0
314.05988	3.6
517.24933	0.6
537.19843	73.2
537.33765	3.9
538.20123	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	537.198
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52149	0.9
56.77686	0.8
57.03471	0.9
58.00593	2.7
59.01379	64.0
63.65094	0.8
70.37502	0.8
70.41896	2.0
71.01384	36.0
72.99300	3.0
73.02948	1.6
83.01398	1.5
85.02943	6.1
87.00871	3.0
89.02447	61.1
90.02831	0.8
95.01389	3.9
101.02446	19.7
101.03111	1.0
107.01406	1.1
108.02180	2.9
109.02962	2.2
111.00892	1.8
113.02451	16.4
113.03185	1.3
119.03508	21.7
123.00916	2.8
123.04475	1.0
124.01705	1.7
125.02446	4.9
131.03510	3.3
133.88905	0.9
136.01663	67.2
137.02292	1.3
139.00356	1.0
143.03519	4.4
146.03741	2.0
149.02429	1.4
149.04581	1.9
150.03226	1.4
151.04015	100.0
152.04364	1.7
159.04515	2.3
160.05296	7.5
161.02512	1.5
161.04541	5.2
164.04851	1.2
165.05582	2.5
169.01497	5.1
175.04050	1.2
175.07640	11.3
176.04756	1.4
179.05606	11.5
187.04059	1.2
195.06612	1.1
217.06935	0.9
251.07262	2.0
261.05551	1.5
263.07156	3.4
267.06635	2.0
271.04559	1.0
278.06158	1.0
278.09491	2.5
279.06619	7.8
282.08942	1.7
293.08060	1.5
294.09018	7.7
297.11313	2.3
309.11301	8.8
312.10001	2.0
313.05594	2.1
324.09937	1.1
327.08835	1.6
327.12366	37.6
328.12643	1.6
339.12415	8.3
340.13092	1.1
345.13541	2.0
357.13461	2.6
375.14594	1.2
465.10837	1.7
466.18356	1.0
537.19794	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	537.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01714	0.8
71.01393	2.1
71.29284	0.5
73.02965	0.7
83.01384	0.3
85.02966	0.9
89.02464	0.7
97.66296	0.2
99.00903	0.4
101.02470	1.1
108.02200	0.4
109.02990	1.1
113.02480	0.8
121.03029	0.4
122.03837	0.3
123.00925	0.5
123.04585	0.4
125.02503	0.9
134.03767	0.3
135.04578	1.1
137.02472	0.7
137.06097	0.9
139.04050	0.9
146.03757	0.3
148.05373	0.4
149.02428	0.3
151.04022	0.5
152.15257	0.3
159.04556	0.3
161.04605	0.6
163.04060	0.9
164.03568	0.4
164.04770	1.6
165.05449	0.4
167.03586	0.4
169.01505	0.7
177.01991	0.4
177.05629	0.8
179.03493	1.9
179.07120	1.8
179.10733	0.3
180.04395	0.5
181.05063	2.2
193.05176	0.4
195.06654	0.5
209.08189	0.6
211.07867	0.3
221.06114	0.3
223.07744	0.3
223.09769	0.7
239.07063	1.2
246.90776	0.3
255.74734	0.3
258.05298	0.3
267.06577	1.9
270.05383	0.4
273.07813	0.7
275.09320	0.3
282.09116	1.2
285.07776	1.7
297.11496	0.8
299.09326	0.9
300.07254	0.3
300.09952	1.6
315.12390	27.3
316.12656	1.5
345.74707	0.3
357.13406	0.4
375.14417	3.5
537.07495	0.3
537.23657	2.3
537.32861	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	537.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01725	0.9
65.29794	0.5
69.03224	1.4
69.03651	1.6
71.01402	1.4
73.02951	0.6
75.10904	0.3
83.01414	0.4
85.02985	0.5
89.02510	0.7
92.12415	0.4
97.07346	0.4
101.02462	0.8
102.21854	0.3
109.02970	0.9
111.24639	0.3
113.02499	0.5
119.03609	0.4
121.03017	0.7
125.02452	0.5
135.04575	0.7
137.06111	0.6
139.04044	0.8
149.06093	0.4
161.04639	0.8
163.04091	0.7
164.04834	1.3
165.05559	0.6
169.01405	0.4
172.08287	0.4
177.05649	0.6
179.03632	1.5
179.07100	1.8
179.10901	0.4
181.05092	1.3
183.57687	0.4
209.08073	0.4
223.09840	1.7
239.07126	0.9
241.12445	0.5
249.95888	0.3
254.09770	0.5
267.06735	1.4
270.05280	0.7
273.07684	0.5
282.09088	1.4
285.07825	1.7
297.11472	0.5
299.09247	0.7
300.10150	1.4
315.12399	29.1
316.12952	1.7
375.14548	3.0
537.23749	1.4
537.32977	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	4.1
61.98823	6.9
71.01412	3.3
71.24233	2.0
71.29863	3.0
73.02939	4.7
75.00875	2.7
85.02971	3.6
87.04594	2.8
93.03460	2.5
96.96000	3.4
118.48636	2.0
121.02937	6.6
123.00883	3.6
123.04551	3.3
123.49853	2.3
124.01643	2.5
125.02435	4.0
135.04512	5.0
137.02405	6.3
139.00378	18.6
146.03789	3.6
147.04510	7.0
150.03239	7.0
151.04042	4.7
153.01907	3.0
154.02718	16.2
159.04524	10.8
160.05324	15.9
161.06084	10.2
163.04019	7.9
164.04747	8.0
169.01466	4.0
169.05072	20.5
173.06102	7.7
175.07654	13.0
177.05580	6.7
179.10750	7.8
181.08653	2.4
231.55156	2.3
237.05487	4.7
238.06291	6.0
239.07089	2.5
241.05060	2.5
253.48212	2.3
254.05994	5.3
255.06599	5.7
265.08664	2.3
266.05945	11.4
267.06573	16.7
268.07211	2.6
269.08261	11.7
281.08215	25.7
282.08731	5.6
314.08136	4.1
343.13980	2.7
371.15527	2.8
429.13498	5.7
443.14264	2.6
444.15720	5.2
459.18140	5.7
474.16895	3.9
477.19208	72.2
477.25684	4.7
478.19501	4.0
489.19226	100.0
490.19388	8.1
501.32458	4.5
507.20218	7.9
519.20001	2.9
537.20227	8.3
537.34894	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	537.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10911	1.1
58.00602	2.2
59.01383	41.6
61.98837	5.3
69.05183	7.2
69.05598	3.7
71.01382	23.4
72.58800	1.2
72.99326	2.6
73.02946	5.7
81.03507	1.2
83.01414	4.9
85.02962	10.4
86.91130	1.3
87.00892	4.7
89.02448	11.9
93.03484	1.4
95.01422	1.8
97.02969	1.9
99.00909	1.6
101.02440	15.4
107.01418	2.0
108.02204	4.2
109.02975	5.8
111.00922	2.7
113.02466	7.2
113.72007	1.1
116.73396	1.2
118.14143	1.1
119.03488	5.9
119.05071	1.4
120.92544	1.1
121.02995	3.3
123.00922	4.1
123.04508	6.6
124.01716	3.5
125.02448	15.8
125.03213	1.3
125.06103	1.7
135.04559	4.3
136.01797	1.3
137.02475	9.4
137.06137	5.1
138.03275	3.9
139.00391	1.9
139.04057	5.3
148.05374	1.5
149.02530	1.4
149.06123	2.9
150.03192	2.1
151.00418	1.6
151.04016	6.2
152.01129	1.8
153.05640	4.4
156.63811	1.1
161.04599	2.5
163.04028	1.3
163.07732	1.4
164.04851	3.2
165.05675	2.6
167.03560	1.6
168.00664	1.5
169.01447	8.9
177.05661	2.0
179.03473	1.9
179.05724	2.7
179.07216	4.6
179.10808	1.4
180.04335	2.3
181.05064	13.2
181.06285	1.1
185.11874	1.2
187.03964	1.9
193.05067	6.0
193.08708	1.9
195.06682	5.4
209.04683	1.3
209.08185	1.5
215.03639	4.1
223.09790	8.1
226.02805	2.1
227.03546	2.3
243.03006	17.8
243.80312	1.4
244.03650	5.9
253.05070	1.6
258.05325	29.1
259.06039	15.5
269.69388	1.3
271.06415	1.2
273.07703	56.7
274.08350	6.3
286.08563	3.0
287.09348	2.9
288.10062	6.2
298.98611	1.5
299.01996	2.8
301.10794	5.8
313.05917	5.8
315.12650	3.1
329.06845	2.9
345.13486	2.9
356.35663	1.2
357.13312	1.7
360.15729	6.5
375.14423	9.6
375.18384	24.5
375.27670	4.8
376.18762	2.0
453.10565	3.1
522.21576	1.6
537.23676	100.0
537.32373	15.7
538.24225	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10911	1.1
58.00602	2.2
59.01383	41.6
61.98837	5.3
69.05183	7.2
69.05598	3.7
71.01382	23.4
72.58800	1.2
72.99326	2.6
73.02946	5.7
81.03507	1.2
83.01414	4.9
85.02962	10.4
86.91130	1.3
87.00892	4.7
89.02448	11.9
93.03484	1.4
95.01422	1.8
97.02969	1.9
99.00909	1.6
101.02440	15.4
107.01418	2.0
108.02204	4.2
109.02975	5.8
111.00922	2.7
113.02466	7.2
113.72007	1.1
116.73396	1.2
118.14143	1.1
119.03488	5.9
119.05071	1.4
120.92544	1.1
121.02995	3.3
123.00922	4.1
123.04508	6.6
124.01716	3.5
125.02448	15.8
125.03213	1.3
125.06103	1.7
135.04559	4.3
136.01797	1.3
137.02475	9.4
137.06137	5.1
138.03275	3.9
139.00391	1.9
139.04057	5.3
148.05374	1.5
149.02530	1.4
149.06123	2.9
150.03192	2.1
151.00418	1.6
151.04016	6.2
152.01129	1.8
153.05640	4.4
156.63811	1.1
161.04599	2.5
163.04028	1.3
163.07732	1.4
164.04851	3.2
165.05675	2.6
167.03560	1.6
168.00664	1.5
169.01447	8.9
177.05661	2.0
179.03473	1.9
179.05724	2.7
179.07216	4.6
179.10808	1.4
180.04335	2.3
181.05064	13.2
181.06285	1.1
185.11874	1.2
187.03964	1.9
193.05067	6.0
193.08708	1.9
195.06682	5.4
209.04683	1.3
209.08185	1.5
215.03639	4.1
223.09790	8.1
226.02805	2.1
227.03546	2.3
243.03006	17.8
243.80312	1.4
244.03650	5.9
253.05070	1.6
258.05325	29.1
259.06039	15.5
269.69388	1.3
271.06415	1.2
273.07703	56.7
274.08350	6.3
286.08563	3.0
287.09348	2.9
288.10062	6.2
298.98611	1.5
299.01996	2.8
301.10794	5.8
313.05917	5.8
315.12650	3.1
329.06845	2.9
345.13486	2.9
356.35663	1.2
357.13312	1.7
360.15729	6.5
375.14423	9.6
375.18384	24.5
375.27670	4.8
376.18762	2.0
453.10565	3.1
522.21576	1.6
537.23676	100.0
537.32373	15.7
538.24225	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87114	1.1
55.01883	2.7
56.11864	1.2
57.03445	2.4
59.01384	31.6
60.71157	1.1
61.29316	1.2
69.42053	2.6
69.42458	4.9
71.01385	35.9
73.02948	15.7
74.08907	1.4
82.08325	1.1
82.13830	1.2
83.01390	10.7
85.02943	15.8
87.00845	1.3
89.02457	6.3
95.01411	2.8
97.02953	1.6
98.22498	2.2
99.00888	5.0
101.02446	35.2
101.57391	1.3
103.04021	3.1
113.02467	15.7
119.03493	1.6
119.43412	1.1
120.99673	2.1
125.02460	6.1
143.03487	3.4
159.02982	3.8
161.04558	22.2
163.06096	2.1
169.01474	3.1
194.96307	1.4
211.02470	1.9
227.26474	1.4
268.43985	1.3
271.04675	1.9
301.00198	1.3
313.05728	1.9
331.17627	31.4
332.18106	1.6
347.66754	1.3
371.85910	1.3
392.59177	1.3
402.42029	1.3
477.23416	100.0
478.23703	4.9
519.18658	4.8
537.20166	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	537.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	4.5
56.01074	1.3
57.03452	4.5
58.00614	2.4
59.01384	60.8
61.98837	30.5
69.03448	3.1
69.27249	10.0
71.01386	58.2
72.99315	3.0
73.02956	22.3
83.01407	12.2
85.02959	25.5
87.00889	6.4
89.02457	23.2
93.03444	10.2
95.01422	4.0
95.67934	1.3
97.02969	2.0
99.00870	8.6
101.02447	45.6
103.04021	4.1
107.01405	2.6
108.02216	8.3
109.02982	6.1
111.00900	2.0
113.02475	22.0
115.04040	1.9
119.03538	8.7
120.99685	4.2
121.02947	3.4
122.34481	2.0
122.96557	1.7
123.00925	2.7
123.04575	1.7
124.01657	1.6
125.02453	11.3
136.01637	1.9
137.02463	19.0
139.04010	3.5
140.04321	1.4
143.03546	2.0
149.04561	3.4
151.00377	3.5
151.04050	3.5
152.01207	8.5
153.01932	3.3
159.03009	3.6
161.04575	23.8
163.06134	3.0
166.06369	14.6
167.03557	1.5
168.00677	2.4
169.01463	8.2
177.05591	1.9
178.06284	1.8
181.08708	4.8
190.02766	1.7
193.05080	1.7
199.87814	1.4
205.05003	2.5
211.02501	4.1
229.07196	2.0
271.04626	2.7
287.16776	2.1
324.10382	1.7
331.17624	41.7
332.18079	2.0
367.10376	1.6
371.09830	3.0
375.14319	2.2
413.12585	1.8
449.22311	3.6
477.23462	100.0
478.23950	6.7
519.19183	2.0
537.23816	27.3
537.32684	3.3
538.20697	1.9
538.23523	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2704
Annotation	Ajubractin D
Peak:m/z	Relative Intensity
55.01880	1.0
57.03458	1.2
59.01387	16.7
60.49661	0.8
61.98832	3.3
68.99805	0.9
69.03464	0.6
69.05956	5.8
71.01387	9.6
72.99330	1.6
73.02927	3.3
83.01394	1.8
85.02960	5.6
87.00881	1.2
87.04520	1.6
89.02452	4.3
93.03464	35.4
94.03802	1.0
95.01408	2.2
97.02953	0.8
98.21800	1.2
99.00880	1.1
101.02460	6.6
108.02182	2.4
109.02956	1.1
111.86406	0.6
113.02489	3.0
115.71687	0.6
119.03512	0.7
121.02971	1.9
123.04584	1.2
123.08204	1.1
125.02456	2.3
130.04231	0.6
135.04509	2.0
136.01668	2.2
137.02457	90.7
138.02750	1.0
139.04013	2.7
149.02440	1.0
150.03233	1.3
151.04022	1.6
159.04521	0.7
163.04044	1.6
163.43820	0.6
164.04778	1.7
164.71802	0.6
165.05586	10.2
167.07126	1.6
169.01459	1.7
179.03488	4.2
179.07085	1.2
182.02179	1.3
191.73718	0.6
195.06581	1.0
196.03818	1.1
209.04550	10.3
209.08197	1.8
211.06111	0.6
221.04573	1.3
221.93816	0.6
223.09785	3.5
239.05566	1.4
281.06775	1.6
313.05731	0.9
325.10724	0.8
375.14368	1.3
519.29840	0.7
530.73438	0.7
537.27002	100.0
538.20453	0.9
538.27496	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	537.2709
Annotation	Ajubractin D
Peak:m/z	Relative Intensity
53.33770	0.7
55.01873	1.0
57.03431	1.0
58.06709	0.7
59.01386	17.2
61.98824	3.0
68.99805	1.0
69.03466	0.8
71.01389	7.9
73.02942	2.8
77.83085	0.7
83.01384	1.6
85.02943	4.4
87.04532	0.9
89.02442	3.5
93.03464	33.9
95.01387	2.8
99.00873	1.5
101.02449	6.9
108.02142	2.7
112.19647	0.7
113.02451	3.7
118.22577	0.9
121.02953	1.6
123.04487	1.0
123.08159	2.2
125.02419	2.4
135.04501	1.9
136.01668	2.1
137.02457	95.0
138.02765	1.8
147.04530	0.8
149.06110	0.8
150.03206	0.9
153.05643	1.0
163.03999	1.8
164.04747	2.2
165.05580	8.2
166.86266	0.9
167.07135	1.1
169.01453	1.1
179.03526	5.8
208.03755	0.9
209.04570	6.0
209.08174	1.3
221.04585	1.5
223.09692	2.1
239.05602	1.6
306.36984	0.8
537.27020	100.0
538.27509	9.6
559.26422	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76886	13.8
56.75292	16.1
59.01377	54.6
59.64638	17.6
61.98825	84.3
63.67427	16.9
69.68675	79.5
87.96555	17.1
95.54340	17.6
96.95994	25.4
98.21831	23.6
99.92566	15.8
106.71723	16.8
108.63551	18.5
109.02888	15.5
147.06671	27.3
270.54828	18.2
386.74881	19.0
445.64114	17.8
464.76706	18.3
501.32074	81.8
512.83606	18.4
537.28040	100.0
562.99475	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2989
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01166	5.4
59.01368	12.4
61.98831	54.3
67.42771	5.1
69.51304	12.6
69.51713	17.4
70.66646	5.4
96.96018	7.9
98.89378	6.2
139.33282	6.7
146.65561	6.0
161.04239	5.9
179.29991	5.5
202.07657	5.8
453.30215	17.1
471.31305	17.4
483.30707	7.8
501.32452	100.0
502.32889	6.9
537.29608	24.5
538.29346	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2993
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	4.7
59.01371	8.9
60.25436	2.9
61.98824	13.4
64.83652	2.6
69.84608	11.3
71.93748	3.2
80.22904	3.1
96.96021	23.2
149.02431	4.0
150.57175	3.1
162.03232	3.2
164.04851	4.3
165.05577	4.4
203.12169	3.1
224.22557	3.2
241.36472	3.1
247.62537	2.8
350.51511	3.2
500.17117	3.1
501.24780	4.7
501.32227	100.0
502.32690	9.5
537.23676	10.9
537.30377	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	537.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76886	13.8
56.75292	16.1
59.01377	54.6
59.64638	17.6
61.98825	84.3
63.67427	16.9
69.68675	79.5
87.96555	17.1
95.54340	17.6
96.95994	25.4
98.21831	23.6
99.92566	15.8
106.71723	16.8
108.63551	18.5
109.02888	15.5
147.06671	27.3
270.54828	18.2
386.74881	19.0
445.64114	17.8
464.76706	18.3
501.32074	81.8
512.83606	18.4
537.28040	100.0
562.99475	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2993
Annotation	Batrachotoxin
Peak:m/z	Relative Intensity
55.79976	5.3
57.03455	7.1
59.01376	23.9
61.98836	28.9
70.49287	11.1
78.74916	5.2
96.95972	9.4
147.06610	8.2
148.54474	6.5
156.33514	5.5
163.04211	5.6
166.02635	6.1
202.15120	5.4
210.94255	6.5
217.10931	7.7
241.39493	6.6
248.71220	5.2
270.11304	6.4
501.32401	68.7
537.29865	100.0
538.29468	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	537.3199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.8
59.01363	1.2
61.98816	3.6
66.87874	0.9
69.75146	4.0
70.51170	1.0
85.26482	1.1
93.91555	1.0
109.12772	1.1
161.66580	0.9
190.41255	1.0
197.49074	1.1
198.55510	1.0
209.68657	1.0
396.52182	1.1
411.32703	3.3
455.31683	100.0
456.32050	8.3
469.33206	21.9
470.33627	1.3
537.32117	50.1
538.32300	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	537.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.9
57.03448	1.3
58.00599	0.7
59.01381	15.2
60.99300	0.4
61.98828	3.2
69.03455	0.9
69.06670	0.7
69.07076	1.4
71.01382	8.9
71.04992	0.3
72.99300	1.2
73.02958	2.3
81.03431	0.4
83.01400	2.0
85.02951	3.5
85.06615	0.4
87.00873	1.8
87.04568	0.3
88.98833	0.8
89.02444	4.6
93.03459	0.8
95.01404	0.8
95.05013	0.6
97.02963	0.9
99.00877	0.6
101.02456	5.5
101.06052	0.3
107.01398	0.7
107.05003	0.3
108.02173	0.6
109.02966	0.6
109.06626	0.4
111.00888	0.6
111.04532	0.8
113.02460	2.8
119.03489	1.2
121.02942	0.7
123.00884	0.7
123.04515	0.8
123.08187	0.5
124.01675	0.4
125.01545	0.5
125.02460	8.5
125.09719	0.8
127.11321	0.4
135.04518	1.0
137.02466	1.8
137.06082	0.9
137.09753	0.3
138.02841	0.4
139.00337	0.4
139.04016	5.0
139.11307	0.5
140.01137	0.4
143.10791	0.3
149.02431	0.3
151.00401	0.5
151.04100	0.5
152.01192	0.3
153.02007	0.4
153.05571	2.1
155.10823	0.7
161.02457	0.3
161.04543	0.7
161.09758	0.3
163.04028	1.1
164.04781	1.5
165.05568	0.6
167.03477	0.7
168.00665	0.5
169.01434	6.7
171.10329	0.8
177.01990	0.3
179.03473	1.9
179.07172	1.5
179.10785	1.6
180.04224	0.3
181.05103	2.2
183.10196	1.0
189.08803	0.4
193.03554	0.3
193.05014	1.4
194.05862	1.4
194.78384	0.3
195.06660	0.5
200.76344	0.3
201.11288	0.3
209.04790	0.4
209.08209	3.1
211.02560	0.4
223.06166	0.7
223.09746	6.0
224.09926	0.3
270.98886	0.4
271.04630	0.8
298.98483	0.6
299.99167	0.6
311.22250	0.3
313.05606	3.1
315.07690	0.4
329.23334	1.7
339.08899	1.4
339.25385	0.7
351.61301	0.3
355.25092	0.4
357.26465	4.9
358.27286	0.3
373.25931	1.0
375.14560	3.0
375.27515	17.2
376.27856	1.0
385.15054	2.5
391.01004	0.3
417.15720	0.6
419.00043	0.3
467.12125	1.0
491.06506	0.3
493.07822	0.8
519.31860	1.8
520.87054	0.3
537.06781	4.1
537.16266	7.9
537.32819	100.0
538.06909	0.9
538.16876	0.9
538.33167	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	537.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57008	2.5
51.58468	2.6
56.95791	3.1
59.01381	5.4
60.31435	2.5
61.98818	7.9
69.04333	25.1
78.95905	17.3
80.44674	2.5
85.26981	2.9
92.00654	3.0
98.22557	5.6
99.89125	2.6
113.34042	3.1
135.51678	2.8
152.99576	4.0
160.85135	3.2
168.04257	3.0
181.96086	3.2
201.45190	3.2
224.06982	7.5
242.07971	3.3
248.09528	3.3
255.23329	100.0
256.23639	4.2
453.33542	4.6
469.33340	7.1
480.30981	75.8
537.33142	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	538.121
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.5
60.44592	1.3
61.98832	100.0
70.48301	1.6
70.48627	2.3
99.73425	1.3
108.02200	1.4
125.02429	2.6
137.02412	1.9
144.28418	1.2
151.00426	2.5
159.59822	1.5
181.05086	2.3
196.07423	1.6
203.57658	1.4
211.09785	2.2
230.55930	1.2
263.64276	1.4
275.20471	1.6
298.04794	8.8
313.07190	26.7
314.07687	1.5
327.12262	1.4
399.09125	1.5
475.12430	5.5
538.34821	2.4
539.21765	7.5
558.03998	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	538.1207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45771	9.3
56.70634	9.7
58.27592	11.5
61.20165	11.5
61.98834	100.0
71.01427	11.7
78.29259	9.7
91.87286	10.8
96.96025	15.0
98.21750	29.1
149.02434	21.6
164.04747	21.8
249.58209	11.9
298.04810	32.4
313.07254	75.3
475.12512	57.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88756	0.6
59.01377	2.0
61.98833	100.0
62.50894	0.5
65.19694	0.5
69.01988	1.9
69.02403	3.0
96.96041	0.9
108.02179	0.8
109.03001	0.6
120.93699	0.5
123.04527	0.7
125.02475	1.8
135.04510	0.8
136.01762	1.0
137.02496	0.6
137.18834	0.5
149.02527	0.7
151.04082	0.7
164.04791	1.5
165.09317	0.8
167.03522	0.7
169.01422	0.7
176.27007	0.5
177.05458	0.6
179.07243	0.7
182.69914	0.5
195.06688	0.8
209.08179	6.4
221.08269	0.7
233.89439	0.7
249.90698	0.6
307.54178	0.6
371.13531	0.8
377.19940	0.6
538.20300	1.1
538.28162	0.8
550.47229	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47406	0.9
52.64164	0.7
59.01378	3.3
61.98835	100.0
71.01392	2.5
72.16058	0.8
89.02459	2.0
93.03456	1.0
101.02442	1.1
108.51160	0.7
119.03469	1.0
121.02946	0.8
123.00962	1.1
123.04538	0.9
125.02442	2.6
125.75284	0.7
135.04611	0.7
137.02473	2.9
143.40720	0.8
151.04047	0.8
153.01994	1.0
169.01489	1.6
181.05031	0.9
271.97128	0.9
283.56625	0.7
333.20743	12.6
363.15326	0.8
538.20416	1.0
538.34491	1.3
539.20599	1.4
539.36584	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04722	0.4
61.98836	100.0
65.55652	0.5
69.41836	1.3
69.42262	1.5
76.96099	0.4
91.37413	0.5
107.30295	0.5
119.75601	0.5
131.49025	0.4
142.01390	0.5
142.02350	0.5
222.49713	0.5
369.14734	0.6
453.33771	30.0
454.34119	5.6
538.31525	90.8
539.31787	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	538.3152
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
69.41717	1.3
69.42123	0.6
74.99133	0.3
75.67229	0.3
87.61466	0.3
92.55670	0.3
101.98116	0.4
115.92088	2.6
142.01277	0.4
145.59201	0.4
204.64839	0.3
334.25540	0.4
453.33698	8.1
454.33899	1.7
520.54626	0.3
538.31537	66.9
539.31818	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	539.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05687	2.4
59.01360	7.3
61.98816	9.7
67.68731	2.3
68.99352	21.8
77.06693	2.8
108.02171	3.6
109.02913	3.4
113.87206	2.6
123.04471	2.5
125.02400	3.5
135.02315	2.3
135.04582	2.8
137.02458	5.3
149.02460	8.3
151.03973	4.5
164.04831	15.3
175.95502	2.3
179.07214	5.8
181.08789	3.4
209.08180	9.9
283.06097	30.0
284.06604	2.8
311.05701	25.8
312.06351	6.7
326.07986	51.6
327.08694	16.9
341.10315	100.0
342.10574	5.0
359.14966	7.2
377.19843	6.1
489.14044	4.8
521.21533	3.5
539.22455	5.0
539.30695	3.3
539.39282	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	539.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49413	1.5
52.39069	1.6
52.65401	1.7
55.64038	1.8
58.00600	2.0
59.01089	3.0
59.01377	41.2
69.45649	1.8
71.01384	28.1
71.27398	2.0
72.99295	2.0
73.02937	4.1
85.02982	4.2
87.00871	10.4
89.02453	39.9
101.02446	21.6
113.02447	12.3
119.03508	7.1
131.03516	2.3
143.03487	3.9
145.09818	1.7
161.04596	10.0
179.05611	51.9
209.34770	1.7
211.69357	1.8
221.06677	25.6
234.53123	2.4
263.84354	1.9
281.08826	3.5
284.35074	1.8
323.09848	4.9
341.10986	8.4
377.08624	13.5
383.11911	2.9
503.16150	100.0
504.16583	10.2
539.13806	44.8
540.14142	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	539.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.0
58.00602	1.2
59.01378	11.8
61.98822	1.5
71.01373	5.2
72.99313	1.6
73.02928	1.2
75.00887	1.6
85.02944	2.5
87.00873	1.6
87.77810	0.9
89.02464	4.7
90.37435	1.1
95.01413	1.3
96.95975	1.1
101.02454	2.6
105.03519	1.2
108.02169	1.4
111.00882	4.4
113.02440	2.4
119.03455	1.1
123.00887	4.0
124.01683	1.3
125.02475	5.1
131.25848	0.9
133.02934	1.8
133.50288	1.0
137.02408	1.0
149.02441	1.5
151.04059	1.5
152.01208	1.2
153.01955	1.0
161.02440	16.3
167.03384	1.0
169.01436	6.3
177.01917	3.6
179.07150	1.6
201.05548	2.6
205.01428	29.7
206.02168	5.7
213.05623	1.7
228.04311	1.0
229.04948	3.4
239.03453	2.0
241.05203	4.4
243.02898	1.0
257.04547	6.6
267.02969	4.0
269.04639	1.5
272.06851	1.0
282.05310	1.6
285.04053	24.6
286.04355	1.3
300.06409	7.0
300.99902	1.1
313.05591	1.0
315.08698	8.9
317.03235	1.3
359.07739	26.0
360.08127	1.5
377.08661	1.4
385.07870	2.2
521.12952	1.6
539.14044	100.0
540.14240	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	539.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.4
57.03445	1.7
59.01384	9.1
59.95573	0.9
67.01883	2.4
68.50956	1.1
69.03443	1.2
69.36816	2.9
69.37226	3.8
71.01386	10.1
71.05030	6.7
72.99316	1.1
73.02950	4.7
82.91559	1.3
83.01398	1.9
83.05035	1.7
85.02951	4.5
87.00868	8.3
89.02464	3.6
96.96000	1.5
97.02950	7.1
97.06564	2.3
101.02445	6.0
101.06065	1.4
103.04000	5.9
107.01402	8.2
107.05018	1.3
108.02171	3.2
109.02965	5.0
111.00890	64.2
113.02449	3.1
119.03514	2.2
121.02917	1.4
121.06606	1.1
123.00909	7.6
123.04574	2.2
124.01690	2.2
125.02457	56.0
126.02773	1.8
127.04001	4.3
134.03773	1.4
137.00699	1.1
137.02449	10.9
139.00407	3.7
139.04025	40.7
140.01151	2.4
141.05554	1.4
142.93027	1.2
150.03192	1.1
151.00388	7.0
151.03979	1.4
152.01115	3.3
153.01939	3.9
161.02477	2.0
161.04608	2.0
163.04025	3.1
163.07668	10.1
164.04790	2.3
165.01987	3.2
167.03471	1.9
168.00624	4.6
169.01433	80.4
170.67198	1.1
173.00917	8.3
177.01875	1.7
179.07083	2.0
181.05055	1.2
191.03519	2.0
192.04279	10.2
207.06630	78.8
208.07027	3.3
211.02501	9.8
215.09242	2.2
225.07695	15.1
241.03534	4.4
243.06660	1.6
253.03522	1.2
271.04651	8.1
272.52933	1.1
297.06253	1.6
313.05676	32.6
369.11942	11.5
377.15918	1.3
377.22220	1.1
387.12463	1.2
399.09253	2.2
435.09177	3.2
453.10489	9.8
495.15146	1.5
521.13000	100.0
522.13458	8.3
539.13208	22.7
539.20404	6.4
539.27997	2.3
540.14606	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	19.7
59.09159	1.3
65.82317	1.4
67.01893	1.2
69.03452	1.4
71.01387	9.2
73.12215	1.2
74.05260	1.3
74.56316	1.2
77.29195	1.2
81.03465	2.0
85.02965	4.2
89.02457	7.7
94.01683	1.3
95.01418	1.8
98.21783	5.3
101.02454	3.4
105.79443	1.4
107.01389	2.5
108.02182	61.8
109.02966	49.0
109.03721	2.6
113.02483	4.1
119.03526	1.8
121.02946	1.9
123.00906	5.6
123.04530	8.4
124.01676	1.6
125.02454	11.4
135.04524	7.4
136.01694	2.6
137.02214	1.3
139.00456	2.5
140.01141	2.4
151.00334	2.0
151.04042	5.4
152.01169	53.1
152.04367	1.5
153.01952	37.0
153.04510	1.9
163.11285	12.2
165.01933	2.0
165.05688	1.5
167.03470	11.7
168.00633	2.9
169.01440	11.5
195.02968	2.2
201.59662	1.3
211.02495	4.1
241.07239	1.9
271.04568	4.3
296.05493	2.1
297.06113	3.4
311.07645	4.2
313.05844	1.5
387.16599	21.8
394.81030	1.6
398.50769	1.4
465.10587	5.3
539.13495	100.0
540.13837	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	539.1425
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77389	1.9
55.01873	2.4
56.70995	1.9
57.03442	4.2
58.00594	4.3
59.01384	64.5
61.15218	2.0
61.98816	5.1
69.00640	9.5
69.01060	5.0
71.01386	45.4
72.99289	3.4
73.02945	5.7
79.17824	1.7
81.03467	3.0
83.01384	5.9
83.01862	1.7
85.02953	11.2
87.00862	5.1
89.02451	34.5
93.03490	3.2
95.01405	9.6
96.96022	2.1
99.00892	2.4
101.02451	24.3
107.01413	11.3
108.02197	4.2
109.02959	13.5
111.00893	4.3
113.02461	15.8
119.03504	13.3
121.02980	19.6
122.03779	13.0
123.00891	43.8
123.04534	3.3
124.01637	7.7
125.02464	20.5
126.02782	2.7
127.00375	2.9
133.02946	4.1
134.03751	2.1
135.04559	4.6
137.02458	22.2
138.03233	21.8
139.00389	6.4
139.04048	10.1
140.01105	2.4
143.03502	3.7
149.02440	21.6
150.03241	72.4
151.00401	3.0
152.01129	3.0
153.01917	14.8
153.05579	14.9
155.03586	2.7
161.02460	2.9
161.04568	5.0
162.03232	12.6
163.11301	10.4
164.04883	5.2
165.02005	2.5
165.05576	71.8
166.06282	9.0
166.99883	27.3
167.03499	5.3
168.00700	10.6
169.01434	15.4
176.73671	1.8
177.01860	2.5
177.05585	13.1
179.05646	3.7
180.04309	6.5
181.01422	18.0
181.05070	7.0
181.08694	8.1
182.02223	74.0
183.03014	41.0
192.05803	2.1
194.05811	2.4
195.06654	39.4
196.03818	20.7
197.04568	100.0
198.04947	2.5
209.08090	2.2
211.02507	9.7
211.06087	16.9
212.02980	2.9
213.02971	2.7
235.83075	2.4
269.08081	2.3
271.04651	11.2
272.04947	5.8
273.05054	6.5
311.07776	4.9
312.05045	2.7
314.11646	3.6
326.06546	5.0
327.07248	60.1
328.07956	3.0
329.13931	7.1
341.08795	29.1
342.09332	2.3
343.13828	12.5
353.09879	2.1
356.11349	2.4
361.85989	2.1
362.13635	2.7
377.12143	3.9
377.16089	27.3
387.16638	23.2
457.11887	2.6
491.19263	64.5
492.19684	5.2
539.14154	24.5
539.20471	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	539.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07038	0.1
59.01367	0.2
66.55637	0.1
69.00678	0.9
69.01085	0.2
74.93644	0.1
81.03458	0.2
87.31424	0.1
93.03453	0.4
98.22601	0.2
107.05034	0.5
108.02221	0.1
108.19996	0.1
109.02966	0.5
117.03517	0.1
121.02958	0.4
125.02457	0.3
126.37739	0.1
127.20011	0.1
129.07143	0.4
131.05025	0.4
133.02969	0.5
135.04543	1.1
136.99120	0.2
137.02449	0.5
138.03069	0.1
141.07060	0.4
143.05051	0.7
145.06615	0.3
147.04523	0.2
149.02422	0.4
151.03973	0.5
155.05064	0.2
156.05891	0.2
157.06604	1.1
158.03716	0.4
159.04526	11.5
160.04941	0.3
161.02426	0.9
164.04739	0.2
164.49933	0.1
166.06357	0.2
171.04491	0.3
171.08163	0.3
172.05344	0.7
173.06075	2.7
174.06497	0.2
175.04097	0.2
175.07654	4.0
177.05563	0.3
181.06554	0.7
181.08728	0.4
183.04535	0.9
184.05217	0.2
185.02458	0.2
185.06091	0.8
187.07668	0.2
189.05482	0.2
197.06102	0.8
197.07976	0.2
198.06828	0.5
199.04082	0.2
199.07666	3.0
200.04785	0.7
201.05585	10.3
202.05875	0.3
213.05553	0.2
215.07137	0.6
225.05591	2.9
228.04369	0.3
241.05052	0.5
243.06627	100.0
244.06976	3.8
282.03644	0.1
338.54654	0.1
351.08817	0.4
366.68665	0.1
432.40729	0.1
524.29028	0.1
539.22711	0.2
539.35687	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00588	1.3
59.01383	65.3
64.68696	1.0
70.01556	1.8
70.01915	2.5
70.34249	1.0
71.01391	12.3
72.99311	1.7
83.01389	1.5
85.02961	3.0
88.45743	0.9
89.02454	15.7
95.01397	1.1
101.02454	9.7
107.01414	3.5
108.02190	2.4
109.02971	2.2
111.00922	1.6
113.02479	5.7
119.03494	5.1
123.00918	4.4
125.02452	16.4
132.99870	1.1
139.00439	1.9
140.01181	1.8
151.00371	2.4
152.01228	3.1
152.30637	1.1
153.01968	3.4
163.11301	42.5
167.03462	1.6
168.00684	3.9
169.01465	16.5
177.04021	1.4
182.34363	1.1
211.02501	11.2
233.28830	1.0
250.41718	1.0
253.31998	1.2
271.04559	8.6
291.34332	1.0
387.16617	77.3
388.17072	4.4
479.15607	4.4
521.16919	4.3
539.17847	100.0
540.18152	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	539.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	55.4
62.40464	1.0
70.60086	1.2
70.60423	2.0
71.01384	11.1
78.81259	1.1
79.01893	1.2
83.01406	1.3
85.02967	2.6
89.02454	10.9
93.93713	1.0
95.01374	1.1
101.02449	8.7
107.01392	2.3
111.00929	1.1
113.02450	4.9
115.79150	0.8
119.03498	3.1
123.00896	7.1
125.02454	10.5
139.00412	2.4
140.01151	2.1
151.00388	2.8
163.11272	5.8
168.00586	4.2
169.01448	13.7
170.01836	1.0
181.82201	0.9
207.10258	12.2
211.02475	7.9
212.31770	0.9
271.04633	10.8
272.04666	0.9
273.05121	1.0
331.06747	2.0
377.16171	1.5
387.16617	59.5
388.16949	2.7
406.31686	0.9
479.15457	5.5
521.16541	4.0
539.17719	100.0
540.18073	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	539.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54984	0.5
57.03432	1.2
59.01382	9.2
61.98806	1.2
69.03442	0.9
69.39220	0.5
71.01395	6.0
72.99333	0.6
73.02955	2.9
81.03446	2.0
83.01378	1.5
83.05007	0.5
85.02956	4.7
87.00890	0.9
89.02440	1.1
93.03433	0.7
95.01410	3.4
99.00888	0.9
99.04511	0.5
101.02463	2.4
108.02184	54.6
109.02969	43.3
110.03339	0.7
111.00875	0.7
113.02444	2.1
115.50909	0.5
121.02934	1.1
123.00902	2.7
123.04491	1.9
125.02421	1.9
135.11804	0.6
137.02419	1.4
137.09729	4.4
139.00352	0.8
139.04138	0.7
151.00362	0.6
151.03999	1.9
152.01167	63.4
153.01961	22.3
161.04611	1.3
161.09673	1.2
163.03990	1.6
163.07700	2.4
164.04797	0.9
165.01840	1.0
165.05560	0.8
169.01418	1.8
179.10725	2.2
181.05046	1.4
181.08691	2.9
182.05841	2.6
190.02760	1.0
196.07423	0.4
197.08109	2.1
205.05017	0.7
206.05357	0.7
211.02431	1.5
223.09842	1.0
271.04471	1.9
271.07547	0.6
315.07239	3.8
328.23019	0.5
371.09454	0.6
377.16193	2.4
377.29001	1.3
391.26758	2.0
477.17661	4.3
479.15637	4.7
495.18771	5.0
496.18933	1.0
521.16620	2.4
521.89679	0.6
539.17603	100.0
539.34448	4.9
540.17944	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	539.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32065	0.7
59.01384	70.4
71.01389	15.2
75.00877	1.7
75.20499	0.8
85.02944	2.6
89.02454	12.3
90.75843	0.8
95.01395	2.0
96.96023	2.0
98.21778	1.6
101.02445	8.2
107.01382	3.0
111.00923	1.2
113.02470	6.7
119.03497	4.7
123.00877	7.8
124.01675	1.4
125.02457	15.9
126.02785	0.9
136.98907	0.9
139.00360	3.2
140.01158	1.9
141.01917	0.9
143.28828	0.8
147.08020	1.0
151.00374	3.5
163.11301	12.8
167.07166	2.7
168.00629	2.8
169.01431	21.0
176.50563	0.8
177.04066	3.0
178.80032	0.8
183.06679	1.4
207.10213	1.4
211.02525	6.7
225.11346	0.9
262.72668	0.9
271.04651	5.0
293.24466	0.8
303.56485	0.8
329.04977	1.6
387.16632	58.2
388.16895	3.6
479.15686	7.2
521.16278	3.9
539.17676	100.0
540.17932	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	539.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	4.0
58.00597	3.0
59.01385	100.0
61.98837	11.4
63.09766	3.7
63.19311	3.2
65.33480	3.2
69.19156	24.2
71.01389	63.9
72.99295	3.8
73.02941	6.9
79.03204	3.3
83.01410	4.9
85.02963	11.3
85.06586	4.0
87.00875	5.3
89.02453	66.9
89.83514	3.3
93.03487	9.1
95.01412	7.3
97.02962	5.5
99.00900	4.3
101.02444	41.5
107.01414	8.7
108.02185	9.6
109.02937	9.1
109.06604	8.0
111.00903	4.0
111.04527	9.7
113.02469	31.0
119.03509	27.6
121.02966	13.2
123.00893	9.4
123.04529	5.7
123.08119	3.8
125.02454	56.4
126.02800	12.3
127.07686	25.5
135.04541	11.5
137.02473	17.2
137.06111	5.3
139.00381	6.6
141.09265	3.5
143.03549	6.1
149.02460	25.4
150.03236	26.1
151.00410	5.3
151.04010	7.7
151.07635	4.7
152.01126	3.9
152.08328	5.8
153.01978	4.3
153.05582	22.8
153.09186	8.9
154.05936	9.8
155.06036	4.9
157.21202	3.3
161.02408	3.5
161.04604	10.0
161.09804	3.9
163.04008	21.2
164.04796	47.0
165.05579	50.4
168.00557	5.0
169.01450	57.4
170.01811	22.8
171.01926	20.4
171.06488	3.8
177.05556	3.4
177.08916	3.5
177.63367	3.0
178.06363	14.5
179.05623	10.7
179.07164	42.8
179.10811	10.0
180.04424	3.6
180.11118	6.3
181.05078	8.3
181.11176	3.6
183.10258	4.9
193.08694	3.7
195.06616	9.4
196.03798	23.8
205.12390	3.8
211.02478	4.5
211.06160	43.3
211.13403	3.8
213.14795	4.0
223.09749	29.6
224.09961	18.3
225.10417	11.3
271.04651	7.4
273.04596	3.2
285.16727	3.8
289.64844	3.3
313.05688	15.2
314.05991	9.9
315.06107	20.3
335.22339	11.1
345.11838	44.1
359.15018	27.2
392.65976	4.6
394.79269	4.0
468.12433	6.1
469.12598	12.0
514.09607	3.4
539.16620	81.6
539.24072	37.7
539.34222	17.2
540.22424	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	539.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40125	0.6
55.01880	1.5
56.53281	0.8
57.03449	1.5
59.01382	20.3
61.98829	1.4
69.03471	1.5
69.72227	1.6
69.72617	1.5
71.01385	15.4
72.99306	1.4
73.02963	2.9
79.01873	1.8
81.03500	0.9
83.01398	2.7
85.02951	6.6
87.00894	1.4
89.02447	11.3
93.03503	0.9
95.01405	3.8
101.02451	10.1
104.62917	0.7
107.01405	4.5
108.02187	8.1
109.02946	5.9
109.57509	0.7
111.00903	3.0
113.02446	6.7
119.03514	3.9
120.99670	1.1
121.02995	1.3
123.00903	16.2
123.04543	11.0
124.01692	1.2
125.02456	17.8
126.02737	0.7
131.03506	0.9
135.04562	2.5
136.01654	0.9
136.98883	2.2
137.02454	3.0
139.00378	5.8
140.01196	3.4
141.01947	0.9
143.03575	1.6
149.02458	4.9
150.03284	1.3
151.00371	12.8
151.04053	1.9
152.01138	7.8
153.01970	3.1
161.04652	2.3
163.04039	0.9
163.07748	0.8
164.04793	12.0
164.05986	0.9
165.05602	2.2
166.02887	0.7
167.03564	3.1
168.00604	3.5
169.01442	21.5
169.02832	1.3
175.80173	0.7
179.03455	0.9
179.05727	1.8
179.07133	7.7
181.05087	1.0
183.06654	5.7
185.93047	0.7
193.08739	1.3
195.06682	1.1
209.04668	1.7
211.02541	2.7
222.57681	0.6
242.17184	0.7
271.04779	1.1
310.49802	0.7
313.05856	2.1
343.20093	0.8
356.55426	0.7
377.16479	0.9
377.29016	3.6
477.18130	1.0
491.19724	1.3
521.18451	0.9
539.21606	100.0
539.33618	15.5
540.22119	8.6
540.34778	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.6
57.03451	1.0
58.00586	0.6
59.01383	9.0
61.98825	1.6
65.00306	0.6
67.01896	0.6
67.20037	0.5
69.03447	0.8
69.16458	4.3
70.39809	0.5
71.01390	7.5
72.99321	1.4
73.02948	3.0
81.03441	1.0
83.01395	1.6
85.02960	3.0
87.00862	1.5
89.02434	2.9
93.03415	0.6
95.01398	2.1
97.02958	1.4
99.00889	0.6
101.02467	5.7
105.61842	0.6
107.01399	1.9
107.05047	2.1
108.02180	1.4
109.02984	3.3
109.06614	1.2
111.00838	1.3
113.02444	2.4
113.62138	0.6
116.92896	1.0
118.98094	1.1
119.03500	2.3
119.08678	0.8
120.99684	0.7
121.02952	0.9
122.03781	0.6
123.00899	8.3
123.04530	2.4
123.08221	0.7
124.01650	2.2
125.02457	10.3
131.03522	0.6
134.03679	0.6
135.04533	4.5
136.98874	1.3
137.02455	28.3
137.06097	0.8
137.09721	1.7
137.16525	0.5
138.03258	12.2
139.00404	3.0
139.03906	0.6
140.01158	2.0
141.01921	0.9
147.04535	0.9
148.05321	0.7
149.02451	1.8
150.03276	0.8
151.00397	6.0
151.04007	7.5
152.01146	1.8
152.04735	0.5
153.01947	1.9
153.05606	2.7
155.07208	0.8
161.04555	1.1
163.03979	0.8
163.07709	0.9
164.04811	5.8
165.05577	2.0
167.03482	1.7
167.07214	1.2
168.00664	1.9
169.01430	12.3
170.02147	1.5
179.05629	0.9
179.07152	3.9
181.05048	4.0
182.05852	66.8
183.06631	100.0
184.06973	3.5
193.08716	4.5
195.02971	0.7
195.06641	1.6
211.02527	1.8
211.09821	1.8
213.07671	1.7
225.56000	0.5
234.81046	0.6
271.04645	2.1
329.12469	1.7
344.11206	1.4
345.11862	5.0
357.08313	0.6
359.15314	0.5
377.16061	59.8
377.29022	3.4
378.16345	4.1
391.27121	1.0
521.20313	1.1
539.21454	59.2
539.33551	9.6
540.21783	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	539.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02663	0.7
58.00592	1.8
59.01098	2.1
59.01381	32.9
61.98823	4.9
62.99642	0.9
69.38602	4.5
69.38990	1.5
71.01388	17.7
72.99301	1.1
73.02956	5.8
83.01397	2.4
85.02956	4.3
85.87478	0.7
87.00885	3.6
87.04530	1.0
88.98811	1.5
89.02446	14.6
95.01390	2.1
95.05016	1.2
97.02969	1.5
99.00874	0.9
101.02454	13.8
107.01374	3.2
107.04976	1.4
108.02177	4.6
109.02977	4.7
111.00889	2.4
113.02447	7.1
119.03504	7.5
119.05040	1.3
121.02885	0.8
121.06691	0.8
123.00888	4.8
123.04553	5.0
124.01661	3.4
125.02456	11.7
129.25175	0.9
134.03751	1.1
135.04517	1.6
137.02432	6.5
137.06052	1.0
137.09784	1.0
138.03230	11.7
139.00356	2.5
139.04018	1.1
140.01152	1.9
143.03557	1.0
147.04547	2.9
148.05321	0.9
149.02489	1.9
149.09714	1.0
151.00360	4.0
151.04007	16.7
152.01147	4.0
153.01915	3.2
153.05562	4.4
161.04604	1.4
163.04002	2.0
164.04796	19.8
165.01978	1.5
165.05614	7.5
167.03519	10.2
168.00623	3.2
169.01413	10.6
170.02182	1.6
179.03531	1.0
179.05656	1.7
179.07141	2.0
181.08708	1.0
182.05869	5.6
183.06628	22.9
191.03641	0.9
193.05008	2.8
193.08598	1.9
196.07304	1.3
197.08186	3.9
209.04510	1.5
211.06151	5.0
225.07698	2.7
230.33124	1.0
240.56081	1.0
250.44035	0.9
272.77164	1.2
333.13315	1.2
344.11121	43.0
345.11902	100.0
346.12460	4.5
355.13968	2.6
373.15057	2.1
377.16034	4.3
377.29004	4.0
387.12988	8.0
443.70990	0.9
495.17825	1.0
533.96661	1.2
539.14081	14.6
539.21216	51.4
539.33789	14.2
540.14130	1.8
540.21777	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.2
57.03448	3.0
58.36105	1.0
59.01097	1.3
59.01381	21.6
67.01903	1.4
69.54580	5.7
70.35558	1.2
71.01384	16.2
72.99301	2.3
73.02953	5.7
83.01395	5.2
85.02970	7.3
87.00892	3.0
89.02445	4.6
92.43035	1.3
93.03455	2.5
93.27673	0.9
95.01412	2.6
96.96023	3.0
99.00890	2.6
101.02447	16.6
107.01389	3.8
107.05040	1.1
108.02180	1.7
109.02964	2.5
111.00869	3.5
113.02457	6.1
118.47288	1.2
119.03467	2.2
120.99657	3.9
121.02950	4.9
122.03730	5.2
123.00882	4.5
123.04552	7.6
124.01626	1.9
125.02457	20.8
127.00432	1.4
131.09900	1.1
132.02162	1.5
133.02936	5.8
134.03690	1.3
135.04544	5.3
137.02417	3.7
138.00098	1.2
139.00380	2.9
139.03981	1.8
140.01169	2.5
147.04427	1.8
149.02455	29.9
149.06071	1.9
150.03235	38.9
151.00381	2.1
151.03880	2.0
152.01196	2.6
153.01920	2.9
153.05615	7.6
158.51031	1.0
161.02400	1.1
161.04630	1.4
163.11232	2.1
164.01173	2.3
164.04802	7.6
165.05573	30.5
166.06401	5.6
166.07602	1.1
167.03462	6.2
167.07179	1.9
168.00679	8.3
169.01443	24.8
177.01920	3.3
178.02751	1.9
179.03551	3.1
179.07193	1.6
180.04318	3.1
181.05058	3.9
181.08719	8.1
182.02228	2.9
183.02943	1.9
192.04262	1.2
193.05023	1.3
195.06628	13.2
197.04604	8.0
207.06587	1.4
207.10262	2.1
211.02487	40.2
212.02785	2.5
227.05647	5.2
266.70151	1.1
269.08243	1.9
271.04611	68.8
272.04922	4.0
273.05057	1.5
284.10519	2.4
313.05817	1.5
314.11627	4.7
315.12433	1.9
329.13925	16.1
331.06729	8.9
343.14041	12.3
357.15366	1.3
377.12448	3.3
387.16592	10.8
491.19263	100.0
492.19724	9.7
539.13702	3.8
539.20685	13.1
540.21478	1.7
546.66876	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89518	1.0
53.33989	1.0
55.01870	1.2
57.63034	1.1
59.01382	44.0
61.98822	5.2
69.38235	6.5
71.00983	1.3
71.01383	23.5
72.99325	1.8
73.02936	3.1
83.01408	1.9
85.02956	7.4
87.00890	5.7
89.02449	23.2
89.02968	1.7
93.03500	1.3
95.01381	2.5
97.02949	1.4
98.21706	1.2
99.00877	1.4
101.02452	15.3
107.01427	1.6
108.02184	3.9
109.02982	3.7
111.00919	2.0
113.02454	8.7
119.03526	9.7
119.05049	3.8
120.99666	1.9
121.02973	8.4
122.03749	3.6
123.00908	6.0
123.04533	27.3
124.01661	1.7
125.02486	7.2
129.03484	3.3
130.82060	1.2
134.03758	5.4
135.04553	2.5
137.02455	25.3
137.06129	1.5
139.00398	2.2
139.04031	1.3
141.83435	1.0
146.03818	1.5
147.04546	24.2
149.02490	2.8
149.06096	3.8
150.03220	3.2
151.00410	3.5
152.01167	2.3
152.04805	3.6
153.01953	3.8
155.38367	1.1
161.04533	1.6
163.04030	5.6
164.04814	25.0
165.05582	100.0
166.05962	1.8
167.07126	5.8
168.00667	3.1
169.01396	7.1
179.05695	3.1
181.05084	1.2
182.05945	1.6
183.06645	2.5
183.10240	2.7
193.08678	1.8
197.08235	1.6
239.03821	3.1
270.05988	1.1
271.04785	1.3
313.05679	1.2
327.10843	14.9
333.13394	1.3
339.79938	1.4
345.11887	41.5
346.12247	1.6
359.14966	25.2
360.15411	1.4
377.11627	1.4
377.16199	2.2
377.29102	1.5
391.27139	2.2
492.45233	1.2
539.14557	3.5
539.21509	66.8
539.33807	10.4
540.21759	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	539.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.4
58.00602	1.3
59.01092	1.7
59.01382	31.6
61.98811	4.0
64.41767	0.9
71.01389	20.2
72.99292	1.2
73.02942	2.7
83.01386	2.9
85.02958	5.7
87.00872	3.1
88.03033	0.9
89.02444	17.0
95.01377	1.5
99.00874	2.1
101.02449	14.4
107.16702	1.0
108.02166	2.9
109.02953	4.3
113.02452	8.3
119.03519	5.3
121.02928	1.3
123.04520	2.1
125.02455	1.5
135.04547	4.7
136.01680	1.5
137.02434	6.5
138.03215	5.7
139.04025	2.5
143.03613	1.2
147.04530	1.2
148.05264	1.9
149.02454	7.4
150.03220	3.8
151.04022	9.5
152.01106	2.1
152.04793	1.7
153.01871	1.5
153.05530	1.3
161.04568	1.3
163.04004	5.9
163.07462	1.0
164.04799	26.9
165.05600	5.5
169.01431	1.6
178.06377	3.1
179.05670	2.1
179.07137	6.1
181.05090	1.3
182.02229	1.2
182.05859	16.7
183.06627	4.6
184.03795	1.1
193.08681	2.3
195.06589	2.2
197.08205	16.7
211.06111	3.8
224.07117	1.3
225.07719	1.5
344.11124	14.9
358.12701	8.3
359.13483	100.0
360.13937	5.1
377.28891	1.5
458.07538	1.1
507.95847	1.0
521.19934	1.4
539.21356	66.9
539.34680	3.0
540.21649	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	539.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15894	3.2
57.03434	4.2
58.00584	6.2
59.01385	100.0
61.98829	9.2
69.04969	22.0
69.05384	8.2
71.01383	71.4
72.99309	4.4
73.02957	7.7
74.33917	3.6
83.01388	6.6
85.02963	16.9
87.00883	10.0
89.02450	70.3
93.03491	6.8
95.01393	8.3
97.02972	4.4
98.22569	5.2
99.00865	4.9
101.02446	43.9
107.01394	5.9
108.02179	6.7
109.02933	6.6
109.06595	10.4
111.04445	4.3
113.02458	28.6
119.03503	30.8
121.02957	13.9
123.00941	5.0
123.04521	6.5
125.02432	38.0
126.02774	9.8
127.02918	5.4
127.07665	28.6
135.04533	7.6
137.02444	21.6
139.00302	5.1
143.03513	7.4
149.02451	26.5
149.77945	2.8
150.03255	29.3
151.00490	4.6
151.04005	4.9
152.01187	5.5
153.01959	6.4
153.05560	17.1
153.09196	6.1
154.05983	4.5
155.06120	3.5
161.04546	8.1
163.04048	23.0
163.07587	3.8
164.04796	55.6
165.05597	46.4
167.03528	4.4
169.01440	39.0
170.01804	14.6
171.01933	12.9
171.06609	4.4
175.03967	3.8
178.06352	10.5
179.05609	16.5
179.07143	41.6
179.10800	5.4
180.04321	3.9
180.11128	5.7
181.05087	10.0
193.05069	4.1
193.08769	3.9
195.06577	7.5
196.03766	15.1
197.08128	4.6
211.02443	3.8
211.06090	27.7
215.41890	3.2
223.09795	20.2
224.10081	14.2
225.05510	4.0
225.10301	10.5
234.42375	3.2
236.97037	3.4
246.68010	3.1
268.88550	3.3
270.86899	2.9
304.67709	3.1
313.05646	11.6
314.05997	10.6
315.06055	18.8
324.26349	2.9
335.22351	11.3
345.11880	59.1
359.15012	28.6
375.14453	8.3
377.15042	4.1
377.28854	3.4
387.16223	3.9
390.77884	3.2
469.12518	9.9
539.16364	56.9
539.22284	49.2
539.33862	9.7
540.21362	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	539.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	3.1
68.20502	0.6
69.03457	1.2
69.82123	1.7
81.03472	2.6
83.01385	6.5
93.03463	2.0
95.05030	2.4
97.02959	4.3
98.21855	1.3
109.02963	17.4
113.09744	1.8
121.02959	2.5
122.03712	0.9
123.04540	13.6
125.02464	10.8
134.73799	0.8
135.04500	1.8
137.02457	47.1
138.03264	4.8
139.04037	4.0
145.02951	1.4
146.03709	1.1
149.02472	3.0
149.32835	0.7
151.04022	10.1
159.04538	2.8
160.05281	1.5
161.02473	1.7
161.06102	4.9
162.03246	1.4
163.04056	1.3
164.01163	3.2
165.01904	4.1
167.03494	2.3
175.04022	1.7
175.07623	1.9
179.03526	6.2
181.08723	13.3
185.06146	0.8
187.04083	4.1
188.04784	3.8
202.06372	1.9
203.07153	13.8
205.05070	7.4
205.08690	3.1
212.04660	1.1
214.81802	0.7
221.08205	2.5
227.07149	2.8
230.05748	1.3
245.08211	17.8
246.08488	0.8
247.06107	2.2
249.14940	3.4
257.02444	0.8
271.06046	1.2
289.07208	100.0
290.07568	3.5
313.14474	0.8
357.13535	13.7
358.13733	1.4
432.86255	0.7
446.99173	0.8
491.71509	0.7
515.01672	0.7
515.11115	0.7
516.19128	0.7
539.22906	17.0
540.23175	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41285	2.1
57.03446	5.0
59.01379	3.8
61.98819	7.4
68.99812	2.0
69.03447	4.4
71.01375	3.3
81.03455	4.3
83.01387	7.3
83.05045	2.2
92.91490	2.7
93.03474	2.8
95.05058	2.9
96.96027	8.2
97.02960	6.8
98.22602	5.2
108.19910	1.9
109.02960	27.7
111.00976	2.2
111.04517	2.4
113.09740	3.9
121.02952	6.8
122.03773	2.5
123.04538	17.3
125.02451	21.0
125.09718	2.4
135.04541	8.6
137.02458	49.0
139.04028	4.2
141.01967	2.8
147.04523	1.9
149.02449	15.8
150.03250	14.4
151.04048	14.2
159.04539	2.3
160.57928	2.3
161.06082	8.3
162.03294	1.8
164.01212	4.6
164.04799	24.9
165.01932	6.5
165.05609	21.6
166.02748	4.3
167.03474	4.0
175.04079	3.2
175.07622	3.2
179.03510	7.1
179.07138	12.5
181.05180	3.9
181.08727	27.4
187.04025	6.5
188.04782	6.8
203.07161	17.8
205.05043	10.6
205.08803	2.3
207.06667	3.9
209.08157	6.4
221.08083	3.6
245.08243	18.7
249.14963	22.4
289.07211	100.0
290.07407	4.0
357.13577	7.8
358.14011	3.8
359.14993	6.8
457.22177	3.9
459.30600	2.5
501.33694	2.2
503.33951	9.6
539.22772	40.1
539.31354	13.9
540.23340	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	539.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	3.2
69.03434	1.2
69.65333	3.7
76.79952	0.7
81.03457	3.8
83.01398	7.4
93.03449	2.8
95.01397	1.7
95.05022	4.2
97.02959	7.7
98.22504	0.9
108.02136	1.0
109.02955	27.3
113.09750	4.9
121.02958	4.2
122.03751	1.7
123.03651	0.8
123.04543	19.8
125.02457	20.2
128.97374	0.8
135.04527	2.8
136.40852	0.7
137.02457	46.7
138.03186	2.1
139.04022	5.7
143.04993	0.9
145.03012	1.4
146.03709	1.7
149.02425	5.6
150.03148	1.3
151.04037	14.1
153.29214	0.8
159.04539	2.7
160.05264	2.6
161.02477	1.4
161.06100	9.3
162.03221	2.7
163.03996	1.7
164.01176	4.7
164.04796	0.9
165.01921	5.8
166.06329	1.2
167.03558	3.8
169.01485	0.8
173.06061	1.2
174.03169	1.2
175.04039	2.3
175.07657	2.5
179.03514	6.8
179.07190	1.4
181.08713	27.8
185.06093	2.2
187.04015	7.2
188.04816	5.0
191.07146	1.1
199.07645	1.3
202.06345	2.6
203.07155	21.1
204.07578	1.0
205.05055	11.8
205.08759	1.3
217.08612	0.8
219.10361	0.9
221.08144	3.5
227.07132	2.8
230.05760	1.6
234.12560	1.5
245.08195	21.5
247.06143	2.2
249.14977	29.5
271.06049	1.3
289.07208	100.0
290.07523	5.7
324.92932	0.7
357.13425	9.7
429.21887	0.9
539.22919	41.4
540.22919	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2289
Annotation	Sesquipinsapol B
Peak:m/z	Relative Intensity
56.05632	1.9
57.03450	2.3
59.01379	3.0
71.01369	3.0
71.29716	2.1
73.02920	3.1
75.78736	1.9
87.44543	1.9
92.80288	1.9
93.03499	4.2
93.08167	2.0
96.96065	2.5
108.02194	3.2
109.02961	4.9
121.02959	16.9
122.03741	3.7
123.04521	4.6
125.02445	8.8
129.03468	2.6
135.04530	4.1
137.02359	2.3
146.03665	2.6
147.04536	7.7
151.04066	2.6
153.05568	3.6
153.09227	5.0
159.04449	2.7
161.06125	6.4
163.04036	3.5
164.04900	2.8
165.05580	19.6
167.03452	2.9
169.01474	3.2
179.07138	6.9
182.07468	2.2
197.04565	13.8
238.06366	6.1
239.07178	4.4
243.06691	5.2
254.05936	7.0
255.06523	4.8
266.05884	8.4
267.06631	5.8
268.07373	4.4
269.08286	5.8
270.08759	2.5
280.07492	2.6
281.08145	6.8
282.09076	8.2
283.09668	5.0
286.04700	3.1
294.08908	3.9
295.09720	13.4
296.06943	2.1
298.98492	2.6
307.09851	3.2
309.11295	5.6
313.10809	5.2
314.08002	9.0
323.09360	2.1
325.10782	3.9
327.12277	2.4
335.22284	12.3
339.12277	4.5
445.16763	2.1
449.16211	10.6
463.17477	3.9
475.17480	4.7
479.17075	6.5
488.18918	2.4
491.17117	13.6
494.19379	8.4
506.19193	9.9
509.21863	90.0
510.22318	8.7
521.21808	100.0
522.22119	8.2
539.21783	2.5
539.35626	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48217	0.6
51.83045	0.6
55.01891	0.8
57.03455	1.3
59.01385	18.3
63.06687	0.7
66.49337	0.7
69.03479	0.7
69.13309	5.8
71.01386	9.1
72.99339	1.1
73.02959	3.3
83.01414	1.4
85.02972	3.2
87.00879	0.9
87.04537	1.3
89.02455	5.8
95.01433	1.2
101.02441	4.2
107.01421	2.4
109.03007	0.9
111.00873	1.6
113.02472	2.8
119.03524	1.9
123.00893	5.0
125.02455	9.4
133.05051	1.0
137.02557	1.3
139.00436	2.1
139.11296	15.2
140.01175	1.7
140.11687	0.9
149.09727	0.6
151.00377	4.8
151.04076	0.7
151.06149	5.9
161.04623	0.7
163.11258	0.9
165.09216	0.9
168.00696	2.0
169.01454	12.3
169.12361	3.3
179.05595	1.1
179.07045	0.7
179.10838	2.2
181.12404	4.0
183.10265	20.1
185.11865	0.8
197.11887	2.2
199.13332	0.8
211.02443	5.0
220.94489	0.7
225.11322	10.7
243.12265	4.4
271.04593	6.5
285.13504	0.9
295.10309	3.6
313.05853	1.1
342.19601	0.7
360.92020	0.8
377.16122	1.5
521.22156	4.6
539.22974	100.0
540.23108	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	539.3147
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89505	1.5
57.03442	3.1
61.98813	2.6
69.11052	15.1
83.01337	1.9
105.56072	1.7
123.04494	2.4
125.02457	4.1
125.06077	2.3
132.64442	1.7
137.02461	1.8
148.05339	1.9
149.02444	3.8
151.04057	1.9
162.11652	1.9
164.04759	9.5
164.32124	1.6
165.09181	2.8
167.05424	1.7
170.53474	1.7
177.43315	2.0
179.07108	3.4
186.12076	1.5
209.08224	10.0
210.08615	2.0
301.14124	1.9
319.15457	13.4
359.14948	4.8
377.19724	16.6
437.99533	1.9
503.33835	100.0
504.34128	11.6
539.24854	7.0
539.32410	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	539.3152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	12.8
61.98839	31.8
74.05564	6.1
95.04942	5.4
96.96049	7.4
97.02926	7.6
109.02959	16.5
112.35947	6.0
123.04536	9.9
125.02425	14.8
137.02463	22.9
151.04036	9.0
179.03586	9.7
181.08685	16.1
193.08334	6.0
203.07167	11.5
245.08113	10.9
249.14925	11.9
289.07181	52.1
503.27280	11.0
503.33899	100.0
504.33655	7.5
539.22595	18.5
539.30389	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	539.315
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01341	16.6
61.98829	63.0
65.51411	12.1
69.43392	78.4
96.96027	29.5
98.22573	14.5
99.41541	13.8
101.35556	14.2
129.24643	15.4
139.16573	13.4
149.02417	16.8
164.04723	19.0
501.32071	22.4
503.34103	100.0
539.30334	58.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3358
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.1
59.01387	0.6
61.98817	1.4
62.34446	0.6
69.03448	1.2
84.80806	0.5
92.87640	0.6
93.60491	0.6
116.92874	0.7
119.56013	0.7
125.53104	0.6
142.43381	0.6
175.43674	0.5
229.09174	0.6
343.84521	0.7
343.88263	0.8
386.47623	0.6
413.34406	2.8
441.33905	0.7
457.33252	100.0
458.33566	10.7
471.34460	1.1
482.69019	0.7
501.32263	1.2
503.33350	1.9
539.33539	48.1
540.33630	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.336
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	6.8
68.99834	2.9
71.28410	3.2
75.43306	2.1
75.66532	1.9
80.96497	2.7
83.05070	2.4
85.54729	2.1
87.17593	1.9
96.96027	3.0
153.53755	1.9
191.46983	2.2
217.88640	2.0
295.49170	2.3
374.84995	2.1
471.34903	42.6
472.35297	4.2
503.33826	7.9
539.33667	100.0
540.33502	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	539.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14947	3.2
60.69668	3.2
61.98830	10.6
71.29767	2.8
71.30131	4.9
73.02985	2.9
73.15559	3.2
74.56024	2.9
82.02946	3.5
83.01402	13.1
126.01992	13.5
148.81641	3.2
161.67609	3.4
166.96135	3.5
192.23688	3.4
200.05678	14.3
218.06705	14.3
223.60046	3.5
269.80835	3.9
279.23325	100.0
343.74234	3.5
359.74942	3.7
437.29187	3.8
471.34811	40.9
472.35272	7.5
480.29724	50.4
481.30093	4.6
503.34653	3.7
539.33661	52.6
540.33508	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	540.282
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98875	0.9
63.68869	1.0
69.01633	4.6
69.02042	2.8
76.73190	0.9
84.00934	2.2
119.32037	1.0
119.40443	0.8
126.01985	1.1
204.05170	2.8
225.11336	1.0
335.22296	100.0
336.22803	5.9
387.55957	0.9
497.27521	3.6
498.27988	1.2
540.28204	12.4
541.28528	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.282
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	15.5
61.98830	5.6
71.01392	8.4
74.00287	1.2
83.05771	1.2
85.02917	2.4
85.35194	1.0
89.02452	15.7
101.02433	5.5
109.02938	1.3
113.02467	7.1
119.03522	9.3
121.02942	1.5
122.00467	1.1
123.04475	1.6
125.02467	2.5
137.02388	1.2
151.55551	1.2
153.01895	1.6
153.05542	1.9
161.04527	4.2
179.05586	7.6
197.04480	1.8
305.21228	100.0
306.21548	5.9
319.22690	2.9
335.22278	73.3
336.22528	4.6
347.22296	2.3
400.71957	1.1
467.26376	7.0
540.35895	2.9
541.23206	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26765	1.3
59.01374	7.6
61.98807	2.7
62.50857	1.3
62.68597	1.2
69.07005	3.8
69.07410	7.6
71.01392	2.2
84.00922	2.1
98.21799	3.1
106.93272	1.4
123.00873	5.2
125.02407	1.7
136.67760	1.4
137.09674	1.5
138.03233	9.2
139.03542	2.2
153.05528	2.4
165.05495	1.5
181.08650	2.3
218.13988	1.5
219.14297	1.5
221.91985	1.5
244.06943	2.7
335.22293	100.0
336.22797	6.7
470.02512	1.5
497.27252	4.5
540.21155	11.2
540.29114	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	540.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
59.37608	1.4
61.98820	2.8
69.01491	12.8
84.00947	1.6
98.22639	2.4
101.02433	1.7
109.94229	1.4
143.24792	1.4
211.61243	1.7
243.06523	2.4
313.00089	1.6
335.22296	100.0
336.22562	7.3
343.04584	3.6
497.27423	3.1
540.28461	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	540.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
58.09984	0.2
61.98834	100.0
63.58322	0.3
67.22737	0.3
69.09244	1.9
80.96540	0.7
81.90456	0.2
97.41544	0.2
98.21796	0.6
99.92563	0.3
114.11746	0.2
114.23955	0.3
173.22319	0.3
189.91974	0.2
195.93289	0.3
219.71692	0.3
226.33270	0.3
238.14798	0.3
273.21277	0.3
364.46704	0.3
455.35345	22.7
456.35638	6.1
457.35645	0.3
491.95850	0.3
540.33081	61.5
541.33484	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	540.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
68.61807	0.6
69.12074	0.9
69.12480	3.2
80.96526	1.5
94.82479	0.5
115.92134	0.7
141.89449	0.6
187.25739	0.5
194.96246	0.6
207.17578	0.5
402.12152	0.6
455.35254	12.5
456.35663	6.2
457.36267	0.7
540.33051	52.1
541.33051	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	540.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63789	0.4
61.98835	100.0
69.21950	1.1
69.22357	1.4
77.08678	0.3
80.96535	1.4
82.28742	0.4
88.46134	0.3
118.25828	0.3
118.34416	0.4
118.69978	0.3
141.74126	0.4
181.18156	0.4
455.35330	21.3
456.35785	4.0
477.47543	0.4
540.33099	55.8
541.33435	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.0662
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88845	1.0
59.01362	1.9
61.98820	1.8
63.53371	0.9
69.02572	9.8
80.91674	1.3
83.05013	1.2
96.95998	2.7
97.02956	1.3
109.02967	4.3
121.02954	8.4
125.02438	2.2
130.50308	1.0
149.02492	2.1
163.00421	1.4
164.04779	1.2
165.01947	24.4
165.05557	1.3
166.06360	7.0
169.01300	1.4
179.07278	1.4
181.08696	8.9
188.45250	1.0
190.00609	1.2
193.01498	4.6
224.83771	1.5
225.00740	1.5
226.02794	1.6
227.03468	2.0
228.04149	1.6
243.02974	3.8
243.06558	1.7
254.02274	2.3
255.03000	3.1
256.03659	1.5
264.93253	1.3
269.04584	1.9
271.02499	48.6
272.02805	3.8
285.04153	2.2
299.01996	87.0
300.02692	16.8
314.04352	92.9
315.05109	100.0
316.05496	4.7
332.19778	1.4
361.16873	1.4
395.00693	11.4
461.10919	90.7
462.10916	5.9
541.06604	98.3
542.06970	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	541.0757
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.1
58.00573	0.8
59.01382	18.7
61.98822	2.8
71.01381	5.6
71.29924	0.7
73.02943	7.5
81.03484	0.7
83.01385	6.3
85.02943	1.8
87.00867	0.6
87.04531	2.0
88.90971	0.6
89.02444	1.8
93.03468	2.1
95.05026	1.5
97.02946	1.3
101.02451	5.8
108.02170	3.4
109.02948	2.5
109.06615	1.0
111.00884	0.8
113.02456	0.9
119.03490	0.7
121.02979	0.8
122.03754	1.0
123.00892	1.8
123.04534	91.3
124.04884	1.2
125.02427	3.9
127.07667	1.0
135.04465	1.0
137.02478	3.7
138.03180	0.6
139.04028	2.0
139.07658	1.0
139.11292	7.7
146.08249	0.7
149.70247	0.6
151.00372	0.6
151.04031	1.5
152.01160	2.3
153.01994	2.1
153.05583	97.7
154.05920	1.7
164.04778	1.1
165.05534	0.9
165.09190	2.2
167.03508	1.3
167.10756	1.0
169.01421	2.6
169.02679	0.7
169.12346	2.9
179.03545	0.9
179.07170	0.9
179.10780	1.9
181.12369	3.7
183.10265	13.3
184.86482	0.6
197.11884	2.0
199.13472	2.0
199.52763	0.6
207.10291	0.9
209.08272	2.4
225.11328	12.9
226.11722	1.0
243.12349	9.2
249.11414	1.2
257.00949	1.0
267.12421	1.9
269.98047	9.9
270.98648	0.9
271.04526	1.0
285.00452	8.2
285.13422	0.7
289.07239	1.0
291.12454	2.4
297.97540	29.6
298.98129	2.0
299.09366	0.9
309.13544	0.8
312.99915	51.8
314.00497	4.0
327.14520	1.5
327.99109	0.5
328.02258	54.6
329.02820	5.0
343.04587	100.0
344.04901	5.6
359.13458	1.1
387.16702	7.1
481.21085	1.3
491.08231	4.1
505.20813	2.6
517.68109	0.8
523.21991	2.0
539.42236	0.7
540.19366	0.9
541.23065	58.3
542.23364	5.4
556.41272	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03474	4.0
71.01367	6.2
71.28127	3.2
76.09153	2.9
88.98827	12.3
101.02450	3.4
107.01399	10.9
122.76344	2.8
123.00902	15.2
125.02460	83.2
125.03354	5.9
136.01709	5.2
136.52734	3.1
137.02451	4.4
139.00388	6.7
139.04053	4.7
140.01169	5.7
151.00371	8.1
151.04036	5.8
151.89977	3.9
167.03490	3.1
168.00653	10.8
169.01433	100.0
183.02933	3.5
183.06609	6.2
211.02480	15.2
241.03424	4.0
250.50790	3.2
257.00845	3.0
271.04501	7.0
275.02151	5.4
277.10236	3.2
300.99915	15.0
313.05716	24.7
322.61932	2.9
380.91882	3.3
497.13153	30.0
498.13733	5.9
509.05746	3.7
541.11932	80.7
542.12091	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	541.135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	2.0
61.98849	1.9
67.77243	0.7
69.00896	5.1
71.01384	5.3
76.53135	0.6
77.07773	0.6
82.49806	0.7
83.01389	1.0
85.02991	1.7
88.98835	2.1
91.01922	1.1
93.03468	0.9
95.01462	1.2
98.21789	1.3
101.02460	2.3
107.01429	1.8
108.02224	2.6
109.02963	41.9
111.00896	1.4
113.02456	1.5
120.99668	5.9
121.02995	1.4
123.00929	2.5
123.04553	1.9
124.01735	1.3
125.02460	3.9
135.00925	1.0
135.04568	2.0
137.02480	3.0
138.03268	0.8
139.00383	1.7
139.04019	0.8
140.01175	2.7
145.13934	0.8
149.02422	1.0
151.00388	1.2
151.03998	1.5
152.01195	3.2
153.01953	67.1
153.07324	0.8
154.02478	1.1
155.03607	1.2
157.06598	1.6
159.04501	11.8
161.02495	2.0
163.00319	0.8
163.04050	1.7
167.03499	3.2
168.00673	0.8
169.01453	3.4
169.93907	0.6
172.05251	1.3
173.06079	2.6
175.07658	4.1
177.01949	1.6
181.05157	1.2
185.06044	0.9
192.75104	0.7
195.03035	2.2
197.00916	0.8
199.03961	0.7
199.07698	3.2
201.05577	13.6
207.06607	0.8
214.99686	0.7
225.05676	4.0
237.03984	0.9
241.05127	1.2
243.06622	100.0
244.06963	3.7
254.88060	0.7
297.06168	85.2
298.06314	3.3
300.99893	0.8
343.11853	1.1
373.12964	1.6
405.11719	2.2
541.13312	56.9
541.19427	3.8
542.13586	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	541.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23330	0.7
55.37669	0.7
59.01385	4.1
65.00319	0.8
67.01879	1.1
69.99210	0.8
69.99516	1.3
71.01380	2.5
79.01867	0.9
85.02952	0.8
93.03432	0.9
95.01389	3.1
97.02966	1.6
101.02460	1.3
107.01408	8.3
109.02956	2.9
111.00884	3.0
113.02446	2.0
121.02972	1.2
122.03747	1.2
123.00895	12.5
123.04565	1.4
124.01665	0.8
125.02460	45.9
135.04533	0.8
136.98804	1.8
137.02449	1.2
139.00369	7.4
139.04013	0.9
140.01215	3.3
141.01942	2.5
143.05028	3.4
146.03728	1.3
146.99577	0.7
149.02440	2.1
150.03236	5.1
151.00374	8.2
151.04033	0.9
153.01970	6.3
157.06593	1.2
158.06985	0.7
159.08142	0.9
161.02454	0.9
163.00404	0.9
164.98338	1.2
165.01970	0.9
165.05571	6.0
168.00665	2.5
169.01436	54.8
170.01747	1.6
177.01929	1.3
178.99860	1.4
179.03525	1.2
179.07039	1.1
181.01396	2.9
182.07330	0.8
183.06398	0.7
183.08044	1.3
185.06082	6.4
195.06612	3.6
206.99358	1.0
211.02393	0.8
211.04152	0.9
211.58334	0.8
213.01971	0.7
227.07143	34.3
228.07495	2.0
229.01440	0.9
241.03467	1.5
285.00470	1.4
297.06155	1.7
300.10025	1.4
311.09253	0.9
312.10080	1.0
313.05695	17.8
313.10983	1.7
314.06079	0.9
315.12424	2.5
327.12338	1.8
351.01300	0.9
399.57205	0.7
425.00980	0.9
436.34802	0.8
450.99506	1.3
463.17789	0.9
541.04730	5.2
541.13501	100.0
541.21295	7.8
542.13934	9.5
542.21466	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	4.5
61.83118	0.9
67.01882	1.4
69.03407	1.0
69.50851	1.7
69.51243	2.8
71.01382	6.2
71.58792	0.9
73.02949	1.6
74.99108	0.9
83.01311	1.2
85.02933	1.2
87.00888	1.7
88.80138	0.9
88.94763	0.9
89.02454	2.0
95.01394	2.3
96.96003	1.0
96.96959	1.1
101.02448	2.5
107.01381	10.9
109.02937	3.7
111.00881	4.3
113.02451	3.1
116.92858	8.9
123.00898	9.3
123.04498	1.7
124.01687	1.7
125.02461	51.3
126.02744	1.5
136.98807	1.6
137.02432	7.5
138.03198	1.7
139.00380	4.2
139.03973	2.5
140.01160	4.0
151.00340	5.7
151.04054	1.8
153.01949	3.4
163.04025	2.0
164.01114	1.2
165.01952	2.5
165.05598	1.7
166.02701	1.3
168.00694	5.6
169.01436	64.2
175.04054	1.2
179.03532	11.0
180.04260	4.0
181.05028	2.8
182.02190	1.5
183.03023	4.9
185.02545	1.6
189.01880	1.2
194.05841	7.0
195.06607	2.2
197.04555	2.7
201.01933	1.5
203.03439	1.0
209.04631	1.2
209.08182	1.8
211.02373	1.7
227.05647	1.4
229.01413	2.6
230.17871	1.2
231.02888	2.2
241.03542	1.4
242.99298	1.8
247.02487	1.0
249.04149	2.1
257.00922	1.6
270.98862	7.1
274.01517	1.0
275.01953	6.8
285.00580	1.3
297.06146	2.2
298.98370	9.2
299.99136	9.7
300.99915	31.2
302.00327	1.9
313.05707	20.0
327.07150	3.5
331.11783	2.0
450.99371	5.3
469.00055	1.2
523.27008	1.0
541.15643	100.0
542.15887	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	541.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.1
67.01907	1.1
69.03463	0.9
69.20441	3.5
71.01382	4.1
72.99325	0.6
79.01908	0.9
79.25697	0.5
81.03448	0.5
83.01386	1.0
85.02969	1.2
87.00900	1.3
88.98816	0.8
89.02475	0.9
95.01409	1.2
97.02948	1.4
101.02447	1.3
101.35879	0.4
107.01398	9.2
109.02945	1.4
111.00886	4.4
113.02451	1.6
117.91262	0.4
123.00896	8.4
123.04540	1.2
124.01691	1.8
125.02458	49.0
126.02825	0.9
127.00411	1.4
136.98848	1.5
137.02455	7.0
138.03246	2.4
139.00410	5.8
139.04031	1.8
140.01181	4.2
141.01929	0.6
151.00398	6.0
151.04018	0.9
152.01079	0.7
152.04845	2.4
153.01981	0.7
153.05605	1.5
165.01929	0.6
166.99905	0.5
167.03485	0.6
168.00656	5.2
169.01440	58.9
170.01820	0.9
179.03510	0.8
183.03011	3.5
184.03770	1.2
195.06723	0.5
197.04546	1.4
203.03488	0.8
211.02480	1.5
212.06927	5.0
213.07706	2.2
227.09264	2.0
229.01430	0.6
233.36958	0.5
241.03583	1.9
242.99318	0.8
249.04060	0.9
253.03610	0.6
257.00870	1.0
270.98865	1.5
271.04639	0.5
275.01987	1.6
297.06256	1.9
298.98248	2.8
299.99094	2.9
300.99899	7.5
313.05649	15.2
313.09268	0.9
314.06235	0.9
327.07230	3.7
346.31992	0.5
361.13037	0.6
450.99353	1.4
453.10086	1.1
541.15680	100.0
542.16089	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40812	1.5
56.70345	1.3
59.01379	1.6
61.43470	1.5
61.60318	1.5
71.01392	1.8
88.98825	2.1
108.02172	1.8
109.02958	5.3
117.10320	1.3
120.99668	100.0
123.00839	2.5
125.02457	4.7
136.01761	1.3
136.53047	1.5
140.01163	3.5
152.01158	1.9
153.01952	10.5
155.03488	5.3
159.04433	1.7
164.04776	1.8
167.03487	2.2
169.01346	2.9
180.04216	1.4
207.06699	2.3
237.07552	1.4
243.06670	13.0
271.04599	2.3
297.06091	9.8
298.08466	2.0
313.11044	2.1
343.11841	2.3
541.13312	5.8
541.20593	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64541	9.6
55.68814	8.5
59.01379	19.8
61.98817	10.3
62.28188	7.3
62.41956	7.4
66.66800	10.2
67.08299	8.3
68.74627	8.2
69.52833	48.8
71.01390	9.6
79.21029	9.2
94.58047	9.2
125.02425	17.8
139.00101	8.5
169.01416	37.0
197.79114	9.4
204.81764	9.8
209.08180	13.7
211.02444	52.6
233.62518	9.3
244.57753	9.6
271.04590	100.0
301.19669	10.5
315.30603	9.3
331.06750	22.6
374.55930	10.5
379.11929	77.8
493.65884	11.5
541.23083	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	541.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72062	0.8
57.03435	1.0
59.01375	10.6
61.98821	3.7
68.68292	0.8
69.04620	5.2
69.05030	2.0
71.01379	2.8
73.02946	2.6
75.15033	0.8
81.03487	0.9
81.31050	0.9
83.01370	1.9
85.02963	3.2
88.98810	2.8
93.03469	1.4
95.01387	3.9
101.02441	1.3
108.02186	53.3
109.02969	42.0
121.02956	1.5
123.00870	3.3
123.04543	2.0
125.02479	4.7
135.04547	0.9
137.02487	4.9
139.11311	5.1
141.03192	0.8
150.03125	1.0
151.04016	1.4
152.01164	59.7
153.01956	27.0
163.04063	0.8
165.05632	1.3
167.03470	1.1
167.07172	4.1
169.01433	2.7
179.03513	1.6
181.12376	1.8
183.10223	8.6
195.03014	3.1
197.04601	1.1
225.11327	2.7
255.05174	6.2
301.00018	1.7
479.19080	3.5
481.17236	4.8
497.20633	5.7
505.20972	4.1
523.18427	3.8
541.19336	100.0
542.19696	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	541.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03888	0.8
52.28270	0.8
59.01382	5.8
69.04699	7.9
71.01389	5.3
73.02966	1.9
81.03463	2.7
85.02938	1.9
87.00863	3.7
88.98814	3.8
89.02448	3.3
95.01382	1.1
95.05044	1.0
99.00921	1.1
101.02457	3.8
107.01409	1.4
108.02162	2.1
109.02960	21.6
111.00896	8.5
112.01247	1.5
113.02476	2.7
121.02959	1.1
122.03768	1.5
123.00880	3.4
123.04536	13.2
124.01613	1.2
125.02477	6.7
126.91167	1.0
135.04543	1.4
136.01555	1.1
137.02458	100.0
138.03256	29.2
139.04033	38.3
148.05309	3.5
149.02390	1.2
150.03224	3.0
151.04013	7.1
153.01949	2.3
155.03340	0.9
161.04562	1.2
163.04018	1.9
163.07704	1.0
164.04739	2.7
165.05569	4.5
166.02742	1.1
167.03452	2.6
169.01477	5.3
170.02267	4.7
179.03500	3.6
179.07141	1.8
181.05055	2.8
183.06627	3.6
195.06674	1.3
197.04567	26.3
198.05344	14.2
199.06120	23.0
216.90860	0.9
217.10709	1.2
221.04494	1.2
255.08688	3.2
299.07632	3.1
299.99249	1.0
300.08435	2.7
300.99805	4.0
332.07449	4.2
345.11942	6.5
360.10721	8.8
361.12943	12.7
362.13165	1.5
379.13947	8.9
397.12842	1.1
451.12479	4.0
458.33115	1.2
541.14362	6.1
541.22137	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	541.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.9
59.01382	57.0
60.01702	0.8
61.98838	1.3
69.13268	6.2
69.14072	0.9
71.01387	9.3
72.99285	1.2
73.02933	3.4
83.01373	1.4
85.02971	5.2
87.00877	1.2
89.02445	4.8
95.01375	2.4
99.00877	1.7
101.02449	9.6
107.01379	3.6
111.00864	1.8
113.02480	4.9
118.17542	0.8
119.03455	2.7
120.99660	0.9
123.00919	7.6
123.01713	1.5
124.01709	1.1
125.02452	12.3
139.00380	2.7
140.01176	1.4
140.29449	0.9
141.01907	0.8
151.00366	3.7
152.01216	0.9
153.01920	1.2
161.02409	0.8
161.04549	0.9
164.04703	0.9
167.07120	1.1
168.00664	1.9
169.01436	11.2
200.74872	0.8
211.02449	1.0
329.12198	1.0
330.12732	1.4
331.12878	1.8
389.18201	54.2
390.18604	4.2
481.17267	9.3
523.18329	4.2
541.19238	100.0
542.19489	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	541.2073
Annotation	(7R,8S)-7'-Deoxo-2'-deoxy-2',3':7,8-diepoxy-7',5'-(ethylideneoxy)verrucarin A
Peak:m/z	Relative Intensity
53.17295	1.4
59.01376	2.3
61.98832	18.2
68.99829	1.6
70.84991	1.3
71.28233	1.5
85.02959	11.3
85.06596	2.6
87.04521	2.2
95.05019	6.1
111.04533	19.4
113.02461	7.8
113.06077	3.9
113.09756	7.4
123.04552	1.6
123.08201	2.3
125.02454	5.7
133.85127	1.9
137.02463	2.4
139.04019	7.7
155.07172	5.1
163.03975	2.5
165.09198	4.7
166.06387	2.0
167.03505	5.0
179.07219	2.2
181.08716	68.4
183.06636	54.0
184.07001	1.9
186.86034	1.5
195.06647	3.2
207.06656	4.8
209.08182	22.7
213.71175	1.4
217.08737	1.9
221.08205	6.2
232.07242	2.0
233.08185	13.3
235.05983	1.8
247.06160	2.1
248.06935	5.9
261.07681	2.8
273.11401	2.3
275.13028	2.4
277.07346	1.5
283.44565	1.5
291.12488	2.5
296.09888	1.7
299.09225	3.7
305.10818	2.7
305.13965	60.0
315.12421	3.2
317.13864	1.9
329.14151	1.9
331.11859	6.2
357.13437	4.0
385.16495	1.9
411.14752	3.6
429.15445	4.3
453.15576	3.6
456.14258	1.8
456.35635	3.1
523.19617	6.6
540.33160	2.7
541.20758	100.0
541.27679	7.2
541.34729	9.5
542.21210	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	541.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	3.8
59.01366	3.1
61.98818	3.6
63.16207	0.9
69.03457	2.6
69.58006	4.5
70.82961	0.9
71.01381	1.6
71.26472	0.9
72.99319	1.0
79.95727	2.8
81.03472	2.7
81.14374	0.9
83.01390	6.0
87.04510	3.0
87.47021	0.8
89.51443	0.9
93.03446	3.3
95.01393	2.0
95.05024	2.2
96.96021	1.3
97.02924	2.8
109.02959	12.2
111.04523	3.6
112.22826	0.9
113.09754	2.6
121.02944	3.6
123.00903	4.6
123.04481	2.5
124.01671	3.9
125.02458	48.9
125.09692	1.4
126.02758	1.1
135.04558	2.5
137.02455	70.4
138.03157	3.1
139.04031	14.5
147.04477	1.1
149.02411	1.5
149.06050	3.1
151.04022	1.8
152.91362	0.9
158.03664	1.1
159.04506	1.4
161.02437	2.6
164.01147	3.9
164.04807	4.0
165.01939	12.6
167.03500	21.2
169.01367	1.1
175.04039	2.3
177.01964	1.2
177.05556	3.8
179.03516	10.4
179.07143	5.1
181.05214	1.0
181.08725	17.1
187.09807	1.2
191.07225	7.1
193.05077	1.4
201.05673	1.6
203.03461	2.8
204.04314	2.4
209.08130	1.8
217.24492	0.9
218.05873	1.5
219.06633	11.9
221.04472	6.0
236.10524	1.5
243.06575	1.2
245.11818	1.5
249.23695	1.0
251.12975	1.6
251.63203	0.9
261.07614	4.0
267.88840	0.9
275.81815	1.0
287.12793	1.6
305.06680	100.0
306.07114	4.4
331.11862	4.1
359.11423	12.8
360.11609	1.5
373.16336	1.8
374.17139	1.3
473.32642	2.8
505.35236	4.5
541.20630	21.3
541.31995	5.3
542.21130	2.7
547.65247	1.1
560.26337	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19800	0.6
53.80693	0.6
57.03423	1.3
58.00575	0.9
59.01384	12.8
61.98830	5.2
68.99246	4.2
68.99648	1.6
71.01386	4.8
73.02949	6.0
83.01394	6.9
85.02934	1.3
87.00865	0.7
87.04536	1.6
93.03480	1.3
95.01398	1.0
95.05038	1.4
99.70022	0.7
101.02461	3.9
108.02190	5.2
109.02980	5.3
113.02471	0.9
119.95329	0.8
121.02952	0.9
122.03755	1.5
123.00919	2.3
123.04535	91.2
124.04882	2.8
125.02475	3.8
129.85867	0.6
135.04599	1.1
137.02467	2.3
137.06079	1.1
139.00436	1.2
139.11310	8.1
141.01936	0.7
146.70113	0.8
151.00378	1.1
152.01158	6.0
153.02042	5.5
153.05583	100.0
154.05946	1.9
165.09264	1.0
167.03490	0.7
168.00702	1.0
169.01418	3.5
169.12343	1.9
179.07114	1.0
179.10840	2.5
181.12329	4.4
183.10274	11.5
197.11868	1.8
199.13475	1.3
225.11348	11.8
243.12390	9.0
249.11453	2.0
265.52441	0.6
267.12366	1.8
271.04645	0.8
285.13531	1.6
291.12491	2.3
327.14658	2.7
362.09952	0.8
387.16782	7.4
481.20981	2.3
497.20248	1.2
523.22198	2.2
541.23236	64.3
542.23651	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	541.2292
Annotation	6'-O-Menthiafoloylmussaenosidic acid
Peak:m/z	Relative Intensity
57.03443	3.4
58.00592	2.3
59.01384	59.9
61.98825	5.4
65.31557	1.3
71.01385	8.2
73.02946	9.7
74.38279	1.3
83.01398	5.9
85.02961	4.2
87.00903	2.1
87.04522	11.7
89.02473	1.7
95.01391	2.4
95.05071	1.5
99.00866	1.5
101.02442	6.9
108.02169	2.2
109.02946	4.1
109.06586	2.0
111.04538	2.5
113.02442	2.8
121.02953	4.9
121.06562	1.6
123.00896	49.9
123.04526	5.7
124.01682	2.4
125.02452	7.3
135.04552	1.5
135.08197	1.6
137.02469	5.4
137.09734	10.9
138.03244	61.0
139.04031	4.1
139.07686	2.7
139.11290	15.1
149.02487	5.0
151.04036	2.9
151.11333	2.7
153.01944	6.4
153.05571	26.4
155.10791	42.9
156.11186	1.5
161.02446	1.5
163.04005	2.5
163.11324	2.0
164.04807	53.4
165.05594	7.3
165.09177	2.3
169.01445	1.5
169.12314	3.7
179.07138	26.6
179.10820	3.7
181.08728	6.9
181.12350	6.5
183.10286	24.2
187.11223	1.9
191.10736	2.1
195.06580	3.4
197.04582	2.1
197.11880	2.3
199.09746	25.9
209.08197	6.7
225.11359	14.4
241.10870	5.6
243.12416	9.2
245.08308	1.8
255.12430	1.7
267.12521	1.6
283.11975	8.1
289.07169	5.2
291.12323	4.2
327.14496	4.3
343.13889	1.9
383.81696	1.4
417.17532	3.8
523.21838	40.5
524.22296	2.9
532.82892	1.6
541.22931	100.0
542.23267	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	541.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.9
59.01380	21.3
61.10330	0.8
61.98837	4.7
69.03442	1.2
71.01389	3.8
71.29021	1.0
72.99323	0.9
73.02943	5.7
83.01391	7.1
85.02970	1.1
87.04552	1.4
89.02472	1.0
93.03471	1.1
95.05038	1.3
97.02968	1.2
97.06647	1.0
101.02484	3.8
107.01480	1.0
108.02184	4.8
109.02976	5.7
113.02473	0.9
121.02969	1.6
122.03777	1.5
123.00951	2.9
123.04534	92.3
124.04856	1.8
125.02478	3.7
137.02493	1.9
139.00410	1.1
139.11296	8.6
151.00433	1.2
151.04114	0.9
152.01170	4.4
153.02023	4.2
153.05586	100.0
154.05934	2.7
155.10837	0.9
164.04858	1.0
165.09306	1.2
167.10875	1.3
169.01501	2.9
169.12405	3.0
179.10857	1.4
181.12424	2.9
183.10266	13.6
197.11937	2.0
199.13426	1.4
225.11313	12.0
225.13214	0.9
243.12343	9.0
249.11429	2.6
267.12399	1.8
285.13852	1.0
291.12671	2.7
321.56595	0.9
327.14664	2.7
362.10376	1.9
387.16669	6.6
481.21167	1.9
523.22137	1.8
541.23242	66.4
542.23633	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42515	1.7
53.73236	2.4
57.03446	3.7
59.01382	21.7
61.98839	9.5
69.03454	3.1
71.01389	8.7
71.04985	2.0
73.02943	6.4
74.62744	1.8
81.03452	1.9
83.01395	3.2
85.02965	7.6
86.45671	1.8
89.02424	4.0
93.03472	3.6
95.01413	5.5
97.02976	2.4
98.21730	3.5
99.00889	2.6
101.02458	4.9
107.01395	3.6
108.02185	57.7
109.02982	42.5
110.03336	5.2
111.00890	2.5
112.79866	1.8
113.02478	4.4
120.99695	21.7
121.02987	4.3
123.00906	8.6
123.04515	7.8
125.02435	13.2
134.03796	2.1
135.00912	7.1
135.04475	5.2
137.02454	42.0
138.03247	57.2
139.00345	3.1
139.11310	2.4
149.02408	3.3
150.03267	5.2
151.00368	2.9
151.03999	4.9
152.01166	50.1
153.01968	28.3
153.05589	45.6
154.01591	3.4
154.05797	1.8
155.10689	2.6
161.04607	2.0
163.04041	3.3
164.04893	3.1
164.30890	2.1
165.01967	5.4
165.05559	5.3
167.03482	14.3
168.00548	2.6
169.01440	11.7
170.02158	3.2
179.03543	3.6
179.07230	2.0
180.04298	77.3
181.04732	4.4
183.10233	3.5
187.77924	2.0
192.33768	1.7
193.01796	1.7
193.08661	5.0
195.06631	61.4
198.05342	7.1
205.05183	2.3
209.71928	2.1
211.02649	2.4
213.07700	100.0
214.08055	4.0
224.66650	1.8
271.04694	2.8
271.28836	2.1
275.02106	1.9
278.09982	1.8
289.07144	2.2
300.99747	5.6
315.07217	4.0
351.31107	2.2
357.08350	5.8
466.02725	2.5
481.15826	2.1
490.57034	2.4
497.19876	4.3
541.18835	60.4
542.18805	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2445
Annotation	Sapxanthone
Peak:m/z	Relative Intensity
55.01876	0.8
59.01375	1.3
61.98829	0.7
69.63387	1.1
69.63788	2.2
72.99295	1.1
80.54266	0.7
83.01321	0.7
87.04508	1.6
95.05029	0.9
106.04213	0.7
108.02200	0.6
108.14748	0.7
109.02985	1.3
111.04526	32.6
121.02949	1.3
123.04530	4.4
125.09765	1.1
135.04440	0.8
137.19760	0.8
147.08150	1.9
149.02449	5.4
163.04039	0.8
163.07672	1.6
165.05580	1.0
167.07059	1.0
175.07666	1.2
179.07112	2.5
181.08716	9.5
191.07126	4.9
191.10759	2.0
193.08690	1.2
193.11484	0.7
201.05772	0.8
207.06703	1.0
209.08153	1.6
209.11847	0.8
217.08702	1.5
219.06631	21.1
220.07210	1.2
225.07695	1.3
229.08640	2.1
235.09743	14.3
243.06821	0.7
271.09863	1.3
272.10599	0.7
273.07718	1.2
285.11563	0.8
287.05612	0.8
287.12830	1.5
296.47086	0.7
299.12988	4.0
321.17084	16.4
321.20633	1.4
322.17395	1.0
331.11938	4.0
343.12003	1.4
385.20120	1.7
411.18234	1.2
429.19272	4.8
437.30725	1.4
449.30746	0.9
451.32047	2.0
467.31549	4.9
469.33243	8.6
497.25507	0.8
513.32367	6.0
541.24426	100.0
541.31665	4.3
542.24695	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	541.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.8
57.03439	3.8
59.01383	56.0
61.98817	3.3
67.01886	1.6
69.03473	1.9
71.01388	62.3
71.29039	1.9
72.99290	3.8
73.02949	15.8
78.95885	1.9
81.03439	1.4
83.01382	8.0
85.02953	24.7
87.00863	4.2
87.89555	1.5
88.98808	4.6
89.02452	21.7
90.15627	1.2
95.01420	7.9
96.96026	6.6
97.02970	3.2
99.00887	7.2
101.01812	2.9
101.02453	37.9
103.08631	1.5
107.01391	9.4
109.02969	6.6
111.00915	7.5
113.02469	27.0
115.44209	1.6
116.92897	1.5
119.03531	8.7
121.02971	2.3
123.00878	12.0
123.04527	3.5
124.01663	3.3
125.02459	55.1
131.03516	21.8
135.04550	2.1
136.98820	2.0
137.02473	8.8
138.03192	2.2
138.12393	1.4
139.00357	5.6
139.04021	6.2
140.01158	4.8
143.03534	2.2
146.03755	2.6
147.04562	1.7
149.02432	6.6
149.06108	1.6
150.03191	3.4
151.00368	6.5
151.03972	3.0
153.01917	4.8
159.02983	4.8
161.04575	40.5
161.05927	2.2
163.04001	6.0
164.04828	10.7
165.01950	3.0
165.05586	6.3
168.00641	3.2
169.01443	64.8
170.01910	2.3
177.01982	1.5
179.03612	2.4
179.05698	3.2
179.07162	7.6
180.04425	1.9
181.05101	4.4
183.02991	6.0
183.06625	2.5
189.98688	1.2
195.06604	1.8
197.04582	2.6
199.06104	2.7
211.02417	1.5
249.03912	3.0
275.01941	8.0
297.06180	2.3
298.98303	3.3
299.99030	3.0
301.00018	10.6
313.05682	21.7
319.08472	1.6
327.07205	3.1
331.11749	2.1
349.18683	80.2
350.19238	3.2
379.10574	3.0
393.17712	16.9
415.25992	1.6
443.19031	4.2
481.14264	4.7
481.22916	50.9
482.23483	2.0
541.15601	100.0
542.16095	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	541.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	43.2
61.85859	1.1
61.98820	1.2
67.89046	1.0
69.83654	4.5
71.01389	40.7
72.99306	2.3
73.02948	10.0
79.41347	0.9
82.95413	1.7
83.01370	6.2
85.02953	14.5
87.00888	2.2
88.98820	2.2
89.02450	14.7
95.01385	3.8
97.02969	1.7
99.00881	4.9
101.01814	2.0
101.02451	28.2
111.00902	1.5
113.02466	18.0
115.47406	1.2
119.03506	3.2
123.00924	2.7
125.02453	10.1
129.01897	1.8
131.03511	3.0
137.02530	1.3
139.04033	1.4
143.03471	2.9
149.04596	2.6
159.02986	4.6
161.04585	19.4
166.02711	1.2
169.01460	8.8
175.06931	1.0
181.05019	2.3
182.70576	1.0
269.33923	1.2
270.98831	1.6
275.02036	1.8
298.98306	2.2
299.99063	2.2
300.99915	7.5
301.07217	4.3
313.05762	2.1
316.09406	2.5
331.11823	4.9
349.18686	100.0
350.18994	4.7
393.17801	7.0
481.22934	42.3
482.23407	2.7
497.13144	1.5
541.16321	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	541.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85401	0.7
51.30928	0.7
51.86835	0.8
57.03455	1.4
61.98832	13.8
70.94683	0.8
74.21040	0.7
87.04514	1.0
95.26020	0.9
97.02979	0.9
102.27129	0.8
111.04550	3.0
113.09731	10.0
118.61826	0.9
123.04597	1.3
124.01687	1.0
125.02456	6.3
125.06087	1.1
138.03177	1.2
139.04027	8.1
150.00949	0.8
157.06718	0.9
163.04051	1.6
166.06413	1.3
167.03508	10.2
176.41461	0.8
179.07187	1.6
181.08720	74.6
182.09024	2.7
183.06677	1.5
191.14404	1.0
203.07133	1.3
207.13893	1.2
209.08223	3.1
229.05025	1.6
233.08237	4.5
254.09444	0.9
272.10629	2.2
273.11380	0.9
277.14594	1.3
287.12967	11.1
291.12381	2.8
305.13962	100.0
306.14282	5.4
320.01392	0.9
359.18698	1.3
428.18478	2.3
442.02441	0.8
456.35706	3.3
541.20856	3.8
541.27759	4.3
541.34680	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	541.3149
Annotation	Milbemycin A4
Peak:m/z	Relative Intensity
57.03484	0.9
59.01416	1.4
61.27808	0.7
61.98894	2.0
68.07753	0.7
68.83173	0.7
71.01460	3.1
71.28329	1.0
75.00954	2.5
94.45650	0.6
96.96109	1.1
97.06660	1.3
111.04610	1.8
111.08241	0.8
123.04699	0.9
123.08248	0.9
125.09846	2.5
127.00465	0.8
135.04681	0.8
137.02541	1.0
141.09299	0.8
164.04866	0.8
165.05479	0.7
166.06081	0.9
171.10297	1.0
181.07350	0.8
181.08836	2.8
181.34073	0.8
183.06706	0.9
185.11880	1.3
187.09906	1.2
192.70544	0.8
205.49002	0.8
207.06738	2.1
209.08348	1.7
225.07823	0.9
248.10419	0.7
325.49777	0.8
331.85449	0.7
333.06485	0.8
344.57742	0.8
413.30563	1.7
415.32214	35.1
416.32544	3.3
457.22363	1.9
459.31189	100.0
460.31540	9.1
481.29288	4.8
487.34457	0.9
495.31403	0.8
503.33765	2.0
523.30450	1.0
541.31464	70.1
542.31799	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	541.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
58.43406	1.2
59.01375	3.1
64.76984	1.3
69.09947	7.0
69.10362	4.0
81.96079	1.4
88.00479	1.2
88.98821	3.8
90.71517	1.3
96.52901	1.4
98.21708	2.6
115.92073	2.0
122.48531	1.4
125.09837	1.4
126.89461	1.5
127.41558	1.4
131.43022	1.4
226.54158	1.5
234.35017	1.2
325.71323	1.5
334.90710	1.5
393.28018	1.8
405.31955	2.1
407.33365	28.9
408.33676	2.7
409.31119	2.1
414.92206	1.6
421.31485	2.7
423.32706	56.3
424.33096	5.0
425.34265	5.9
437.30835	1.8
451.32303	3.8
453.33749	20.8
467.31744	14.3
469.33295	100.0
470.33490	10.3
478.18973	1.4
487.34360	3.0
497.32755	32.0
498.33228	2.8
505.35675	1.8
513.32074	3.5
541.32056	35.4
542.34515	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	541.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.3
60.99299	1.9
61.98808	2.0
63.80337	1.3
71.99121	1.1
73.10792	1.3
74.82573	1.4
88.98816	7.0
96.80005	1.1
106.64513	1.4
154.85425	1.2
174.22827	1.3
331.74875	1.3
391.30173	2.3
393.27756	1.6
405.31812	5.2
407.33392	37.3
408.33636	4.3
408.38882	1.3
409.30963	2.1
421.31360	4.4
423.32709	74.8
424.32993	6.8
425.34665	2.3
451.32397	7.2
453.33829	21.2
454.34180	1.4
467.31818	12.1
469.33261	100.0
470.33826	8.6
497.32730	39.1
498.33008	3.1
521.12982	1.2
541.31897	41.9
542.32483	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	541.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08650	1.9
52.91111	1.8
59.01386	2.0
61.98826	4.7
70.49293	4.7
73.33089	2.0
77.24659	2.1
77.65852	1.7
82.86668	1.8
88.98806	4.6
93.12259	1.9
100.96430	1.9
152.48460	2.2
157.17271	2.0
279.42645	2.3
296.90262	2.0
311.06110	2.4
349.16724	2.0
405.31876	4.4
407.29141	2.7
407.33389	25.8
408.33643	2.2
409.31042	2.5
421.31131	4.2
423.27313	3.4
423.32782	56.3
424.32803	3.8
425.34161	2.9
437.30548	3.9
451.32413	5.9
453.33789	15.6
454.34125	2.3
467.31711	17.6
469.33252	100.0
470.33655	7.7
478.90585	2.8
485.33096	3.0
497.32864	31.0
498.33084	4.4
503.34537	2.5
513.31897	11.6
541.32037	46.1
542.32501	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	541.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.56229	8.6
57.66806	8.7
61.98847	15.5
67.81625	9.2
68.98891	100.0
82.09878	10.5
97.06616	9.1
98.22552	19.5
98.62380	9.6
102.75583	8.5
103.09931	9.6
104.73479	8.8
125.09740	15.2
127.07729	11.7
130.89229	10.7
141.75551	12.6
274.20355	11.8
389.14078	10.1
449.30618	16.9
467.31647	67.0
469.33154	37.0
487.34293	24.0
495.31409	16.4
513.32239	50.5
541.31403	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	541.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	11.8
59.92574	0.4
60.99314	13.0
61.98838	0.5
68.99754	2.1
69.00175	2.0
71.01383	0.6
72.39773	0.5
75.82034	0.4
81.64808	0.6
87.00911	0.6
88.98816	100.0
89.02453	4.7
96.96028	1.1
98.95602	1.2
101.02457	0.5
109.02996	0.7
111.00886	0.7
113.15857	0.6
119.35262	0.5
120.99741	0.5
121.02949	0.9
123.00916	0.9
125.02448	2.9
126.02791	0.6
127.00438	0.6
137.02449	1.2
139.00394	1.5
151.00412	0.7
166.06458	1.1
169.01389	2.8
170.01772	0.7
181.08711	2.1
197.04642	0.5
223.40289	0.5
257.00778	0.6
270.98889	0.8
298.98416	0.7
299.99152	0.5
300.99948	0.6
314.00598	1.2
387.16690	0.6
389.17654	1.8
461.07269	1.7
463.08951	0.6
504.98541	0.9
541.19885	6.5
542.20367	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.7
61.67365	1.7
61.98851	1.9
69.39983	10.4
80.96548	5.1
81.19983	1.6
87.00888	3.4
88.19144	1.7
97.72910	2.0
99.00893	3.9
224.09048	2.1
370.34775	1.7
415.12213	2.1
437.34241	31.5
437.39520	2.2
438.34540	3.0
454.11169	1.8
455.35242	24.2
470.78647	2.3
497.36404	95.3
498.36633	8.2
541.35583	100.0
542.35809	10.7
563.13275	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	542.0338
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08003	1.5
59.88487	1.3
64.94308	1.6
69.06265	4.4
69.06684	5.6
95.01402	2.2
101.56823	1.3
104.59373	1.2
107.01398	4.5
108.80988	1.2
123.00917	7.0
125.02453	21.1
126.02840	3.0
136.13348	1.4
137.02446	2.4
139.00359	2.9
140.01140	1.4
145.02989	2.5
151.00369	4.0
166.99866	3.1
169.01414	21.8
170.01759	5.8
172.01701	2.4
173.02455	2.3
177.01891	1.8
179.03514	3.2
180.03905	1.4
185.02434	3.3
189.01923	1.6
191.03462	1.4
200.01176	2.6
201.02002	3.3
203.03488	3.1
214.99837	1.9
216.00629	1.4
217.01482	1.6
229.01355	6.9
231.02945	4.5
232.03311	1.5
242.99345	6.9
245.00919	3.9
247.02364	2.6
249.04141	8.2
257.00912	4.8
258.01358	2.2
270.98865	22.7
271.99249	3.2
273.00461	2.5
274.01004	1.7
275.02060	16.0
282.98914	1.9
283.99646	4.4
285.00299	3.5
298.98297	28.8
299.99136	34.7
300.99893	100.0
302.00253	10.6
313.05716	4.7
314.05975	3.2
450.99414	14.1
451.99652	1.7
455.35574	1.6
469.00690	3.2
474.36557	1.4
542.16052	24.2
543.14154	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	542.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	2.1
61.98835	100.0
71.01401	1.0
71.28529	0.4
71.75365	0.4
73.02954	0.6
74.02156	0.3
74.99106	0.5
79.01883	0.4
85.02953	0.6
87.33089	0.4
89.02473	1.0
93.45992	0.3
96.96039	0.8
99.00873	0.4
101.02460	0.6
107.01411	0.6
109.02973	0.7
111.00905	0.7
111.04534	0.9
113.02452	0.5
119.03556	0.6
121.02995	0.6
123.00909	1.1
123.04550	0.7
124.01715	0.4
125.02480	1.5
135.04558	0.4
136.99065	0.5
137.02466	0.8
139.00455	0.5
139.04024	5.0
141.95183	0.4
149.02513	0.7
151.00423	0.6
151.04073	0.6
152.49530	0.4
153.01997	1.0
153.05644	0.4
161.02539	0.4
162.03357	0.5
163.04065	0.7
165.01991	1.7
167.03549	1.4
169.01439	1.8
170.01872	0.6
175.71887	0.3
177.01991	1.0
181.05159	0.4
189.01949	0.5
191.03534	0.5
193.01549	1.2
195.03026	0.8
218.05928	2.0
220.02061	0.5
233.08203	8.5
243.07117	0.5
261.07715	13.0
273.07745	0.8
289.07303	1.0
291.08884	0.6
299.05609	3.5
301.00040	0.5
317.06677	12.3
317.10187	0.7
380.14691	0.6
381.11932	12.9
381.16904	0.7
387.16824	1.1
479.12115	0.7
524.14844	1.0
542.15747	5.7
543.16998	0.6
548.79327	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.261
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47834	0.5
59.01381	3.5
61.00927	0.6
61.98835	100.0
67.59821	0.6
69.07899	3.4
69.08322	1.1
72.52528	0.5
78.68103	0.5
93.38042	0.6
125.02467	0.6
136.17426	0.5
156.68958	0.6
168.78970	0.6
200.73737	0.7
208.39186	0.6
252.82036	0.6
271.02496	2.8
299.02014	4.2
300.03125	0.6
319.22839	2.5
320.23083	4.5
542.26227	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	1.0
59.01358	1.0
61.98833	100.0
69.03441	1.6
69.67262	3.5
94.70868	0.8
98.04173	0.8
98.52599	0.8
102.36667	0.8
116.69478	0.8
167.12947	0.8
267.69595	0.7
393.58835	0.8
395.29150	0.8
413.34290	2.0
447.94174	0.9
456.35461	0.9
457.33261	45.4
458.33658	12.1
469.32932	1.0
499.33286	0.7
542.30981	96.3
543.31647	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	542.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49207	15.6
56.94286	15.7
59.01387	28.8
60.28599	18.2
60.80454	15.4
61.98848	99.7
63.56427	17.6
69.08083	34.2
69.08488	100.0
85.36835	16.2
89.51064	15.7
105.28893	15.9
200.79672	18.3
300.70828	19.1
320.23215	38.1
446.44485	18.8
506.35718	21.9
542.31360	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	542.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13033	3.3
54.68979	3.3
57.59299	3.4
61.98832	100.0
65.57002	3.4
69.02147	26.3
96.96033	8.1
98.22525	8.2
117.10844	4.8
125.02409	3.4
163.88681	3.5
171.83511	3.6
244.00504	3.6
299.69022	3.8
320.46548	4.1
543.18768	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	543.0464
Annotation	Quercetin 3-(3''-sulfatoglucoside)
Peak:m/z	Relative Intensity
51.27370	1.2
59.01361	2.0
60.99285	4.7
63.17754	1.1
65.00360	1.8
69.27556	5.9
69.27982	3.3
70.90755	1.3
72.99261	1.5
86.79071	1.2
88.98306	1.9
88.98812	34.2
89.02433	1.5
89.99131	3.6
96.95998	2.3
107.01405	6.1
108.02174	2.2
109.02951	2.0
121.02928	1.4
123.00922	2.4
124.01620	3.6
125.02468	8.7
137.02443	2.5
149.02437	1.4
151.00378	16.9
163.00323	2.0
164.01112	2.7
168.85191	1.2
169.01451	7.7
178.99867	9.1
211.03952	1.7
214.02698	1.9
215.03400	1.3
227.03349	3.7
242.02089	2.1
243.03009	8.1
245.04546	2.4
254.02187	2.1
255.00974	1.6
255.03050	18.7
259.02335	3.2
270.01617	4.2
271.02490	58.0
272.02716	4.2
275.01685	1.9
275.26282	1.3
287.01978	12.6
300.02759	80.2
300.99832	5.2
301.03476	42.2
302.00320	2.0
302.03610	1.9
316.02225	71.7
317.02936	16.9
380.99207	4.5
463.08865	100.0
464.09103	9.1
543.04327	61.5
543.16199	2.4
544.04712	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.3
61.98826	2.2
63.02394	1.3
63.44065	1.1
65.00322	1.4
69.10368	8.0
87.62400	1.2
100.89076	1.2
107.01421	3.2
108.02180	1.3
108.23235	1.2
109.02975	2.7
114.82059	1.0
120.62508	1.0
121.02979	1.8
133.02953	2.8
143.04948	1.4
147.04480	1.2
151.00365	4.4
171.04482	3.1
175.04065	2.1
199.04094	7.3
201.02005	1.7
215.03503	2.6
226.02695	3.3
227.03391	5.7
243.03021	10.7
243.06602	1.5
255.02965	5.4
271.02496	68.1
272.02930	2.6
299.01984	100.0
300.02701	21.6
301.03433	4.0
314.00385	1.2
318.36478	1.1
429.59225	1.0
476.82156	1.1
499.05569	1.4
543.27179	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.0
60.66358	0.8
61.98821	2.4
63.02414	2.0
65.00318	2.5
71.01395	1.1
71.29919	1.2
95.11804	0.9
107.01425	3.1
109.02937	1.9
123.04545	2.4
125.02473	1.9
133.02974	2.5
151.00407	4.5
167.03484	5.1
171.04523	3.1
173.02292	1.2
175.04002	1.9
187.03937	1.3
191.03487	1.0
198.03299	1.1
199.04060	9.9
201.01927	2.5
210.55142	1.0
215.03531	2.7
226.02698	3.0
227.03429	6.7
243.03023	12.3
243.06570	2.5
254.02193	2.5
255.02966	4.7
271.02502	72.5
272.02887	1.9
279.87607	0.9
299.01987	100.0
300.02704	22.0
301.00406	1.1
301.03436	5.8
543.27051	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	7.2
60.99300	15.1
61.98826	1.5
68.43645	1.5
70.23642	4.6
71.01381	8.9
71.67358	1.4
73.02963	3.4
73.78682	1.5
81.03497	1.5
83.01418	1.8
85.02954	3.3
88.88568	1.6
88.98811	75.5
89.02468	2.5
95.01392	2.1
96.96012	1.7
97.02946	2.0
99.00894	1.8
101.02460	6.2
107.01414	3.6
111.00851	1.9
111.04585	1.7
113.02453	4.2
120.99622	2.3
123.00899	9.3
124.01679	11.2
125.02458	26.0
126.02723	1.5
135.39580	1.5
137.02472	5.8
139.00357	1.9
139.04022	6.7
140.01183	3.2
151.00377	6.1
161.04570	1.6
165.01947	33.1
167.03566	1.9
168.00656	5.2
169.01418	29.2
180.04285	16.9
183.03036	2.7
195.06639	46.5
229.01334	1.9
235.11902	2.6
243.08809	5.1
270.98898	3.4
275.01923	5.1
298.98196	3.2
299.99072	7.1
300.99948	19.5
302.00232	7.2
313.05652	6.5
327.07373	2.2
381.17639	5.6
450.04800	1.7
450.99823	2.6
453.10410	100.0
454.10730	9.1
543.23584	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	543.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28303	0.4
58.00615	0.5
59.01381	6.0
60.70802	0.4
61.98840	2.0
62.63430	0.4
64.82707	0.4
67.01933	0.4
71.01392	3.2
71.29439	0.5
72.99328	0.6
73.02952	0.6
77.03992	1.3
78.95922	0.9
79.01899	0.7
85.02980	0.7
85.81453	0.4
88.98814	0.6
89.02466	1.9
90.36857	0.4
95.01408	0.6
95.05071	0.5
95.08484	0.5
96.96031	0.6
96.96989	0.5
101.02476	1.6
105.03472	1.0
107.01402	0.6
108.02190	0.8
109.02983	1.9
109.06606	1.4
111.04508	0.9
113.02465	0.9
121.02975	1.5
123.00879	0.6
125.02448	0.7
137.02487	1.0
139.00192	0.5
139.03998	0.8
147.04523	0.7
149.02440	3.0
150.03142	0.5
152.01180	2.1
153.01976	1.8
153.05713	0.4
161.02502	1.1
163.04039	2.5
164.46596	0.4
165.01945	0.7
165.05595	0.5
169.01401	0.7
173.06133	0.6
175.04008	0.6
190.02696	1.0
191.03542	1.8
193.08691	0.8
203.03537	0.6
209.18626	0.4
215.03516	1.0
216.00674	1.0
217.05077	8.0
217.08539	0.7
218.05833	17.4
219.06682	2.3
230.51698	0.5
231.06606	0.7
233.08192	56.8
234.08528	2.6
239.09167	0.5
243.06601	3.4
245.08182	1.2
259.06137	1.4
261.07681	100.0
262.08029	4.4
271.04782	0.5
273.07697	3.5
275.09326	1.8
291.08685	0.9
296.25220	0.4
303.08759	3.6
327.08743	0.8
345.09839	0.6
363.10944	2.4
381.11578	0.9
432.50275	0.5
451.18530	0.5
477.17572	1.3
489.17563	0.5
543.17108	59.3
544.17328	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	543.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19526	0.5
52.82051	0.6
59.01393	6.0
61.98823	1.3
71.01387	3.0
73.02945	1.0
74.26145	0.5
79.01915	0.7
79.95746	3.6
80.96516	1.9
83.01395	0.7
85.02956	1.3
87.00883	0.6
89.02467	2.0
89.42540	0.6
95.01355	0.5
101.02442	1.4
105.17313	0.6
111.00901	2.5
111.04531	0.8
113.02477	1.1
119.03502	0.6
121.02971	0.6
123.00907	1.1
125.02444	5.6
135.04492	1.0
137.02457	1.3
149.02399	1.2
149.04559	0.8
151.00357	0.8
161.02484	0.8
161.04559	0.8
167.74641	0.6
169.01431	6.9
189.09203	2.5
217.05046	11.3
217.08372	0.9
218.05882	14.9
219.06450	1.2
229.05127	3.4
229.08516	0.7
231.06607	3.0
232.07352	1.6
233.08206	40.3
234.08615	1.6
243.06657	3.6
245.08186	0.9
257.08276	1.1
259.06195	2.9
259.09692	2.3
261.07693	100.0
262.08032	4.7
264.06387	1.7
271.09921	1.1
273.07782	1.2
275.09271	7.9
276.09726	0.7
285.07800	2.4
288.15936	0.6
299.09262	2.5
303.08777	17.6
304.09125	1.1
313.05713	1.1
327.08704	1.8
327.12396	1.5
345.09756	3.3
363.10892	8.4
465.14456	0.7
507.18802	0.7
525.16211	0.8
543.17273	63.1
544.17767	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	7.6
61.98816	3.1
69.59064	3.0
69.59460	2.3
71.01389	7.1
72.53168	1.4
73.02946	2.4
81.92265	1.1
83.01335	1.5
85.02963	2.0
87.00871	1.4
89.02469	3.5
96.96014	3.0
98.22559	1.7
99.00896	1.4
101.02470	3.5
109.03001	1.7
111.00904	5.4
113.02484	2.6
121.83874	1.3
123.00865	2.4
123.04527	2.8
125.02460	4.3
126.23708	1.2
135.04506	2.4
137.02470	1.6
151.00424	2.0
164.04808	1.7
169.01425	4.7
179.11119	1.2
183.10231	1.3
186.83083	1.2
193.08743	7.8
211.03943	2.1
212.04869	2.3
228.04253	4.4
229.05074	6.6
233.08229	2.8
243.06639	3.0
256.07449	1.7
261.07675	8.2
271.09726	8.2
315.12341	4.0
316.13098	1.8
330.14755	9.2
331.15524	3.0
335.22223	1.7
345.17142	7.9
381.12332	2.2
399.09610	1.7
477.17499	2.6
492.20071	5.5
507.22388	100.0
508.22546	7.1
543.21112	12.0
544.21759	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	2.6
59.01382	13.7
61.98813	3.3
69.97199	1.3
71.01386	7.0
73.02961	6.9
80.96497	2.9
83.01380	4.9
85.02938	3.9
87.00867	1.9
87.04504	1.6
89.02432	2.1
95.01353	1.9
96.96008	1.9
101.02436	6.1
106.84024	1.5
107.05089	1.8
108.02196	1.9
109.02928	5.3
111.00864	6.8
113.02457	2.0
119.38697	1.6
122.03769	2.2
123.00858	6.2
123.04507	3.4
124.01660	1.9
125.02415	6.7
134.03790	1.8
137.02405	5.1
139.00394	16.4
139.04019	1.7
139.11272	5.5
140.01173	100.0
141.01752	2.7
146.03635	1.7
149.06065	4.2
150.03198	1.7
151.00349	2.5
153.01953	2.6
153.24898	1.7
155.03513	59.8
161.04494	1.6
164.04807	1.6
165.05559	1.8
167.03537	2.5
167.07083	4.0
169.01419	7.4
169.12296	1.6
174.97238	2.8
179.03441	2.5
179.10718	2.4
181.12347	2.9
183.10263	9.2
189.09187	1.6
190.02681	5.6
193.08714	7.0
195.06644	2.5
205.04979	5.2
225.11272	10.9
233.08162	2.5
243.12318	8.8
261.07587	2.6
267.12436	2.5
271.04547	1.5
285.31171	1.7
291.12262	1.9
300.94150	1.5
301.27368	1.7
387.16422	5.0
483.18744	5.5
525.19458	2.0
543.20691	77.2
544.21008	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	543.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.3
59.01381	20.0
60.27433	1.2
61.98830	5.2
71.01399	7.7
71.28217	1.6
72.99298	2.0
73.02927	2.5
75.00852	1.8
83.01367	1.5
83.05031	3.2
85.02934	2.9
87.00847	1.7
87.04526	2.0
89.02467	2.6
95.05015	3.0
96.99324	5.8
97.06572	4.3
99.00883	6.6
101.02449	5.0
109.02937	2.1
111.04551	1.9
111.08188	2.5
113.02460	3.0
113.09731	8.6
116.92854	2.9
119.03510	2.6
121.06629	2.2
123.08164	1.7
124.98806	31.9
125.02429	1.7
125.06094	1.8
125.09727	5.7
127.00323	1.5
135.68825	1.5
150.03307	1.5
151.04053	8.1
153.05602	2.7
161.04442	1.5
163.04065	3.1
166.06276	2.4
169.01503	2.3
171.39990	1.5
175.04089	1.6
177.05582	3.1
178.02789	2.3
179.03479	18.2
179.07143	3.8
181.05124	1.8
181.08711	64.4
187.09792	5.9
189.05617	1.5
191.03506	33.7
192.03874	2.1
192.07939	3.2
204.07838	2.1
205.05028	3.0
206.05853	100.0
207.06252	2.8
207.10272	31.9
209.08163	2.5
215.03575	1.9
219.10214	3.3
220.07394	10.8
221.08200	86.8
222.08505	3.1
223.09888	2.0
230.05887	10.7
235.09721	9.8
238.04796	6.1
245.08141	7.4
245.15489	1.6
247.09758	3.0
248.06885	2.8
253.09323	2.1
258.12631	1.8
259.09927	2.0
261.15057	10.3
263.09253	21.9
270.94592	2.6
273.15112	2.5
274.12158	2.4
277.14481	2.8
282.23209	1.6
284.10529	5.5
287.09097	2.9
289.14484	4.5
289.18057	3.6
299.12790	3.4
305.14014	5.5
307.08255	44.4
307.19092	3.5
308.08423	2.1
317.13898	11.8
361.12912	48.4
362.13608	3.5
411.14447	2.2
481.22299	5.2
497.57172	1.8
499.23337	9.0
505.35312	8.0
525.21332	11.1
543.32855	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	543.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
58.43219	0.8
59.01385	6.7
61.98822	1.7
69.01962	8.5
75.00833	0.9
86.79898	1.0
95.87411	0.9
125.09726	2.1
125.78387	0.9
187.09624	1.2
284.89621	0.9
287.35385	0.8
343.21356	0.9
393.31830	1.9
395.33087	2.0
421.30783	3.0
423.32083	1.3
439.31989	6.9
441.27942	1.3
441.33762	24.6
442.33701	2.3
469.32755	2.8
469.97928	1.0
471.34344	6.9
472.34805	1.1
483.30798	1.3
485.32761	48.6
486.32971	5.7
515.33685	4.7
538.13843	0.9
543.28070	100.0
544.28326	9.3
544.35809	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
69.21032	3.8
74.76041	0.6
79.06283	0.7
85.06561	0.9
95.05056	1.3
97.91119	0.8
109.06577	2.1
111.04520	2.9
113.09734	4.8
123.08162	1.3
125.06133	1.4
136.05344	0.7
138.03230	0.9
165.01906	2.0
165.09233	0.9
166.02742	8.5
167.07123	1.0
179.10767	1.7
181.07115	1.6
181.08717	28.3
205.05238	0.7
207.06627	3.3
208.07401	23.1
209.08121	3.5
219.06673	1.6
237.11417	1.1
247.09799	7.9
263.12790	1.1
263.16458	2.1
289.14514	1.2
293.13959	17.7
294.14615	0.8
307.15527	100.0
308.15958	5.7
317.21185	1.1
349.47095	0.7
355.92123	0.6
361.20267	19.8
362.20718	1.2
415.63901	0.7
543.29645	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	543.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.0
84.77864	0.8
85.06599	1.7
85.91938	0.7
95.05065	1.5
109.06583	2.3
111.04524	3.1
113.09731	4.9
118.01845	0.6
123.08180	2.1
123.48966	0.9
125.06108	1.2
138.03249	1.1
139.04045	3.5
143.17340	0.7
165.01906	2.7
165.09207	10.3
166.02724	6.9
179.12271	0.7
181.08722	34.7
183.83522	0.8
207.06616	1.3
208.07408	18.7
209.08203	41.1
210.08530	1.4
219.06847	0.9
219.13876	1.1
222.08923	2.0
223.09778	2.5
237.11342	1.2
247.09784	3.9
249.14920	0.8
262.12146	1.2
263.12952	7.7
263.15878	1.2
263.16461	1.0
289.14627	1.6
291.16016	1.0
293.13956	9.4
307.15524	100.0
308.15811	4.7
361.20215	16.5
362.20554	1.1
371.58252	0.8
543.29675	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.333
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	62.5
61.98820	14.1
71.29928	13.3
72.71240	12.2
72.99306	28.8
97.06569	13.5
99.00816	13.0
111.08109	13.2
125.09752	18.8
147.08748	12.2
160.21362	11.6
183.94998	13.2
246.49185	11.0
265.19818	12.3
351.68427	13.6
368.21133	12.4
375.54880	14.2
439.32108	34.6
457.31714	28.7
467.31619	13.8
469.32941	49.4
471.34549	53.7
485.32355	21.2
515.33752	36.4
525.32239	24.3
542.79059	14.8
543.26990	39.2
543.34796	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	543.3329
Annotation	Acantrifoic acid A
Peak:m/z	Relative Intensity
57.03452	2.4
59.01379	7.7
61.98830	2.7
68.59826	1.6
69.03469	2.0
69.69799	5.3
72.99312	3.9
75.00871	3.9
141.39977	1.7
157.08646	1.8
186.31007	1.9
192.70026	1.8
240.97830	1.6
261.97549	2.1
290.34552	2.0
333.83420	1.6
354.93225	2.0
413.34296	2.7
439.32123	29.2
440.32092	2.5
441.33893	10.6
442.91446	2.2
451.32224	2.0
453.33716	5.9
457.33282	15.4
469.33423	12.8
471.34940	16.0
485.32596	5.2
499.34329	76.4
500.34552	5.1
502.54611	2.2
515.33813	14.9
523.32446	2.0
543.33844	100.0
544.34381	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	543.3332
Annotation	Luvungin E
Peak:m/z	Relative Intensity
59.01384	39.2
61.98821	1.5
69.69038	2.6
73.02932	1.0
75.00871	1.1
77.90748	0.7
90.44600	0.5
96.96042	0.9
97.06612	0.9
98.21805	0.8
99.00879	0.9
99.92670	0.8
105.57454	0.6
111.08177	1.0
115.92049	0.6
125.09757	1.8
146.45909	0.6
151.08832	0.6
169.77750	0.6
184.87988	0.7
187.09828	0.8
280.99426	0.7
323.58963	0.6
377.24869	0.7
405.28210	0.8
407.29767	4.1
421.31552	0.9
437.30627	50.4
438.30927	3.6
439.32361	4.4
455.31561	1.6
457.33267	1.5
467.31918	1.9
477.51431	0.7
483.31491	1.0
485.33035	2.1
497.32733	19.9
498.33521	1.8
543.33539	100.0
544.34119	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	544.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38644	0.4
59.01382	1.7
61.98836	100.0
69.03600	1.7
69.04028	1.9
84.08762	0.5
96.96022	0.4
98.21786	0.8
99.92661	0.5
103.31639	0.4
143.08371	0.4
143.17497	0.4
145.35002	0.4
150.90474	0.5
187.62990	0.5
252.78236	0.5
497.49576	0.5
544.27039	1.0
545.06836	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	544.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69709	12.5
59.01384	95.9
69.00258	100.0
69.00674	33.6
75.00868	15.3
76.12429	13.2
98.22565	25.3
101.02473	15.6
106.34084	14.0
114.31944	15.2
140.20676	13.0
148.17908	15.6
181.08751	17.7
183.06633	24.9
209.12112	13.5
307.19421	15.0
308.19241	16.6
351.79984	14.1
395.34985	15.2
473.35071	17.0
544.32855	46.4
545.34076	54.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64394	7.7
54.37313	7.3
54.98391	6.6
58.29530	7.5
59.01385	58.4
61.98822	33.7
69.19201	36.3
69.19622	22.8
83.05054	9.5
85.06589	10.2
98.22558	17.2
99.92662	9.0
146.71735	9.9
166.41943	9.2
319.74225	8.8
335.59256	8.4
439.32086	22.0
472.31525	10.4
501.32269	100.0
502.32791	12.5
506.35928	17.7
544.34076	14.6
545.34723	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	544.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74422	7.0
59.01387	53.8
61.98833	100.0
71.01376	27.5
71.29113	7.6
73.02950	9.9
81.24993	7.2
88.18338	7.2
89.02459	14.6
96.95979	10.7
101.02475	10.8
123.04501	9.2
125.02458	22.6
148.67488	7.2
149.06107	12.1
151.03983	13.2
159.60916	8.5
159.62141	9.0
160.04004	8.2
166.06381	15.7
167.03455	10.6
167.06659	10.6
189.05940	7.2
216.75476	7.9
264.09882	7.2
342.59860	7.4
412.07974	11.6
457.32736	8.1
473.67972	7.5
516.91400	7.9
544.18903	24.1
544.26135	14.4
545.12750	14.4
545.26410	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	545.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.9
71.01389	1.5
77.55954	0.2
79.95742	3.6
89.02441	1.7
96.96017	100.0
101.02472	0.5
107.01400	0.3
125.02415	0.5
131.03514	0.7
147.91992	0.2
149.04616	1.2
151.00362	0.9
169.01436	0.7
204.65385	0.2
227.03642	0.3
255.03014	0.8
271.02512	1.7
300.02783	3.4
301.03494	2.5
399.00394	1.4
447.09412	5.0
448.09714	0.3
508.50528	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1461
Annotation	Phomalevone A
Peak:m/z	Relative Intensity
50.48420	0.5
50.52135	0.5
51.59305	0.5
51.71798	0.5
56.56789	0.6
59.01363	1.6
61.08755	0.5
61.98833	3.7
69.02412	2.2
69.02832	2.3
69.49075	0.6
72.38903	0.5
72.50059	0.5
75.98497	0.6
83.01379	0.6
93.03477	2.1
95.05038	2.4
96.96007	0.6
108.02184	1.9
109.02968	13.4
117.03493	0.5
121.02985	5.6
122.03783	3.5
123.04539	23.4
124.01670	3.5
124.04760	0.6
125.02455	1.7
133.02962	1.7
135.04550	6.0
136.01663	1.4
137.02440	5.4
139.04024	6.5
145.02979	1.3
149.02505	1.2
150.03229	0.9
151.04034	5.9
153.01913	0.9
154.02783	1.4
159.04514	2.7
160.05269	0.8
161.02475	11.9
161.06160	0.8
162.03203	1.2
163.00417	2.6
163.04030	2.6
164.01186	2.1
165.01784	0.7
171.04559	0.9
173.06110	2.4
175.03978	1.6
175.07594	0.7
176.01239	1.3
177.02028	0.7
178.02739	1.0
179.03517	4.7
181.05077	0.9
183.04514	0.7
185.06113	1.9
187.04083	1.0
188.04773	0.8
189.05574	0.7
196.05386	0.8
197.06058	2.1
198.03247	1.4
199.04010	3.0
200.04758	0.8
201.05638	1.6
202.06305	0.6
203.03558	0.7
204.04288	1.3
209.06114	0.6
211.04082	1.9
211.07878	0.7
212.04802	2.0
213.05603	3.8
215.03535	0.9
215.07091	0.8
217.05075	1.0
220.02437	0.7
223.03894	0.9
224.04929	1.0
225.05605	1.8
227.03551	2.2
227.07088	1.2
228.04248	1.8
229.05087	4.3
230.02246	0.6
237.05551	0.7
239.03520	1.3
240.04318	3.3
241.05096	20.9
242.05618	1.0
243.03087	2.1
243.06598	5.5
244.03766	1.9
244.07074	0.7
245.04585	1.2
249.09183	0.6
253.05090	1.6
254.05856	1.6
255.03200	1.2
255.06636	3.8
256.03802	1.3
257.04504	2.3
259.06201	0.9
261.07721	3.4
263.03488	0.8
265.04807	0.7
267.02966	0.7
267.06699	0.8
268.03751	0.7
269.04532	1.6
270.05273	1.0
271.02808	0.7
271.06097	3.3
273.07541	0.7
277.05179	0.6
278.05820	0.9
279.06573	1.3
282.05304	1.1
283.02841	1.3
283.06149	5.2
284.03259	1.8
285.04031	2.2
286.04764	1.0
291.06686	1.2
292.07507	0.8
295.06229	1.6
296.03265	1.5
297.04117	2.1
299.05508	3.2
301.07254	1.4
303.09009	1.4
319.06198	1.2
319.09775	0.7
322.04736	0.8
323.05515	0.8
333.07651	1.5
337.07040	1.1
345.07547	1.2
347.05597	1.2
361.07373	2.0
362.08020	1.6
363.08871	1.3
379.08173	0.9
381.09799	2.4
389.06750	1.0
393.09781	14.4
393.14511	1.1
394.10226	0.8
403.08469	0.8
405.09695	0.8
406.07043	1.0
407.07617	1.6
409.09427	0.9
421.09430	8.5
422.09897	1.1
423.10629	4.7
429.44717	0.6
435.10834	3.5
461.12607	1.2
527.13623	2.4
545.14569	100.0
546.14948	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	545.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44374	2.1
58.00596	3.2
59.01385	100.0
61.98803	2.4
62.55511	2.3
70.85699	2.7
70.86028	5.2
71.01387	86.4
71.28034	2.3
72.98670	2.1
72.99300	6.1
73.02938	4.8
80.92258	2.6
81.07103	2.8
83.01402	7.5
85.02961	11.2
87.00877	4.5
89.02451	71.5
95.01423	5.6
96.96017	12.1
97.02958	2.6
99.04538	9.1
100.90286	2.9
101.02447	36.6
111.00894	3.5
111.04596	3.1
113.02457	26.9
115.00382	41.7
115.79133	2.0
117.05563	4.5
119.03517	34.1
123.00898	4.3
124.44794	2.2
125.02432	18.5
131.03531	3.8
133.01453	21.3
137.02403	2.3
139.00438	3.0
143.03499	8.0
149.04555	2.4
151.00391	2.5
161.04604	12.7
161.13367	23.3
165.09271	2.7
169.01454	16.6
179.05640	29.4
186.88144	2.3
190.99559	3.3
195.06520	2.5
205.12344	60.1
206.12633	3.2
209.08218	7.2
223.13451	5.7
231.41920	2.4
249.11320	99.4
250.11685	4.0
267.12363	6.2
298.11688	2.4
313.05600	10.0
385.18832	8.2
429.17648	95.8
430.17999	7.3
457.07666	2.5
516.46783	2.5
545.11664	10.5
545.19501	9.5
548.47217	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	545.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64331	4.7
59.01388	92.5
61.98815	12.7
62.95607	4.5
64.50372	4.7
69.16998	29.8
71.01386	88.8
72.99318	11.7
85.02959	8.6
87.00883	4.9
89.02456	84.3
90.04134	4.2
95.01366	5.6
99.04575	5.3
101.02460	42.5
113.02427	25.0
115.00388	64.0
119.03517	43.6
133.01445	100.0
143.03531	9.3
149.04637	5.1
150.03256	6.9
161.04573	12.0
161.13371	21.1
169.01448	5.3
177.09233	4.6
179.05640	33.6
186.62773	4.4
195.06540	5.8
205.12357	68.7
249.11327	68.4
250.11815	5.0
287.50134	4.5
301.10999	5.5
385.18719	13.4
429.17633	71.7
483.18808	5.2
545.21881	6.3
551.25873	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	545.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26150	1.3
63.02398	1.8
63.73001	1.5
69.20998	10.7
87.04510	13.7
95.01376	3.3
101.06101	4.1
107.01395	2.7
107.69487	1.6
109.02992	10.1
113.09738	10.0
122.27615	1.4
124.01672	36.0
125.02420	9.5
135.00882	8.7
152.01135	2.1
153.01942	22.8
179.07149	38.4
181.08716	65.0
182.09065	2.5
193.08698	21.0
207.06635	100.0
208.07033	3.0
209.08310	1.9
218.88776	1.8
221.08199	53.4
223.06123	27.3
237.07674	7.0
271.23776	1.6
295.11920	48.9
295.15210	3.4
296.12274	3.3
308.15964	3.0
309.13504	52.5
309.16772	3.9
310.13843	2.2
386.70032	1.7
510.98093	1.6
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
57.03467	1.2
59.01382	33.0
59.67194	1.3
61.98841	5.8
69.03822	2.5
69.04230	8.2
71.01401	3.8
72.99300	2.3
73.02961	1.5
89.02475	1.9
101.02483	2.7
103.55212	1.3
112.98840	1.4
124.01889	1.8
138.92647	1.5
161.04643	2.3
162.04811	1.3
222.85556	1.5
234.91669	1.3
235.08376	1.3
246.48148	1.4
249.18608	89.8
250.19051	4.9
253.09286	14.6
416.99280	1.4
453.34171	3.9
469.33240	2.9
485.09714	1.5
485.33279	3.9
487.34299	1.4
545.15106	4.2
545.35309	100.0
546.35529	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	545.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27220	1.2
59.01382	13.1
61.98821	4.7
77.12731	1.2
83.05010	1.4
97.06584	2.0
115.92064	1.2
123.08163	1.6
125.09713	3.2
145.65550	1.2
191.03703	1.2
409.30942	1.5
473.36432	1.6
487.34320	73.8
488.34531	6.5
491.27457	1.2
501.32867	1.9
545.29413	100.0
546.29480	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	545.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27220	1.2
59.01382	13.1
61.98821	4.7
77.12731	1.2
83.05010	1.4
97.06584	2.0
115.92064	1.2
123.08163	1.6
125.09713	3.2
145.65550	1.2
191.03703	1.2
409.30942	1.5
473.36432	1.6
487.34320	73.8
488.34531	6.5
491.27457	1.2
501.32867	1.9
545.29413	100.0
546.29480	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	545.3123
Annotation	Methyl ganoderate G
Peak:m/z	Relative Intensity
53.04891	0.5
58.00579	2.2
59.01097	0.9
59.01384	15.0
61.98841	3.4
69.03665	3.3
69.04089	1.7
71.01382	1.7
72.99306	4.0
73.02950	11.9
75.00878	0.7
85.02940	1.3
88.98814	1.4
97.06575	0.7
98.22540	1.1
99.92617	0.7
103.75684	0.5
111.04495	0.7
115.92077	1.9
122.32978	0.6
125.09734	1.2
125.48737	0.6
181.08656	1.6
183.06619	0.9
187.09709	0.6
357.28119	0.8
369.27969	1.0
383.29703	0.7
460.32040	0.7
461.25433	1.4
471.31296	1.9
473.31870	0.8
485.32971	1.8
487.34375	1.2
501.32498	1.4
506.18851	0.7
545.31122	100.0
546.31384	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	545.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00593	5.3
59.01397	23.0
61.83977	5.2
61.98836	30.5
71.01396	7.6
73.02939	6.0
78.82919	6.0
83.05031	5.3
89.02491	5.0
97.02975	5.6
108.02203	5.2
108.47311	6.7
111.04521	4.7
113.02473	6.3
120.79946	4.8
128.05492	5.2
241.10938	5.0
289.18115	8.9
291.19565	11.4
297.42554	4.9
309.20706	14.6
425.27118	12.8
441.30066	31.4
455.31702	18.6
471.31183	72.3
472.31659	6.3
473.32736	100.0
501.31866	6.5
517.31897	69.6
518.31671	8.3
538.51202	5.9
545.27844	4.8
545.33691	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	545.3131
Annotation	Acinospesigenin C
Peak:m/z	Relative Intensity
59.01378	26.2
61.38056	3.4
61.98835	10.4
67.30791	3.6
70.58276	5.4
71.01394	5.8
73.02950	31.2
74.94648	3.4
82.31812	3.4
85.02966	6.3
96.95998	5.8
99.04472	3.8
102.37832	3.4
105.35957	3.5
106.34785	3.3
109.02969	4.4
119.62611	3.3
131.95715	3.5
155.73337	4.3
197.11937	4.1
429.33594	5.2
455.31302	5.2
457.33411	35.3
457.72659	4.3
471.31091	12.9
473.32730	100.0
474.32965	5.0
501.32309	50.7
502.33115	4.1
542.03125	4.4
545.31030	53.7
546.31549	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	545.3486
Annotation	Heracleifolinol
Peak:m/z	Relative Intensity
59.01385	23.0
60.99303	1.7
61.98815	1.8
64.88136	0.7
69.03458	1.1
83.04990	0.8
86.01028	0.6
97.06623	1.1
99.92550	0.7
115.92017	1.3
116.92853	1.7
123.08284	0.7
125.09722	3.0
128.98315	0.7
131.03532	0.7
132.40758	0.7
137.56799	0.7
165.63809	0.7
171.10222	0.7
187.09830	1.5
218.71538	0.9
409.31107	2.8
421.31262	1.0
425.30835	0.9
431.22943	1.6
473.31665	1.1
485.32803	2.2
494.86829	0.8
545.34882	100.0
546.35168	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	545.349
Annotation	Heracleifolinol
Peak:m/z	Relative Intensity
56.31982	0.4
57.03429	0.3
59.01384	9.8
61.98824	1.5
69.11201	2.6
71.01386	0.4
72.99303	1.5
75.00869	0.4
75.15470	0.3
91.02469	0.3
125.09708	0.6
159.10471	0.4
229.82379	0.3
249.18652	1.0
272.63223	0.5
287.16510	0.4
437.30701	0.6
455.31720	1.9
469.33301	0.8
471.34866	3.6
473.34186	0.6
485.32999	5.5
487.34036	0.8
545.34949	100.0
546.27405	0.6
546.35321	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	545.3488
Annotation	Heracleifolinol
Peak:m/z	Relative Intensity
50.80009	0.6
52.71052	0.5
55.88813	0.6
59.01382	100.0
61.98832	2.2
69.54626	1.8
69.55033	1.2
72.99332	0.9
73.02991	0.7
75.00896	0.9
78.39789	0.6
84.08387	0.6
94.60016	0.7
97.06606	0.8
98.22471	1.2
115.92204	0.6
125.09774	1.7
159.10284	1.0
188.49524	0.6
242.39684	0.6
271.29556	0.6
281.91043	0.6
464.00433	0.6
471.35080	1.8
473.36185	3.7
485.32779	11.4
485.38675	0.8
486.33069	0.9
487.34674	0.7
508.45920	0.6
545.28265	3.2
545.35797	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	545.3479
Annotation	Pachanol C
Peak:m/z	Relative Intensity
54.92343	1.7
59.01385	7.8
69.19051	4.1
69.19450	9.3
76.61523	1.5
78.95904	5.3
90.37843	1.6
105.02129	1.8
113.28895	1.5
118.96275	1.6
122.53645	1.6
152.99590	3.6
172.00192	1.7
189.12897	2.2
191.14412	18.4
193.15933	4.7
198.86665	1.8
237.14980	28.0
264.75531	1.9
303.19568	1.7
347.22015	1.7
393.13937	1.7
434.53723	2.0
483.35110	8.8
501.35596	8.8
506.27133	1.8
545.34851	100.0
546.35278	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	545.3497
Annotation	Heracleifolinol
Peak:m/z	Relative Intensity
59.01382	16.6
61.98827	1.1
69.05985	5.6
71.05009	0.6
72.54086	0.6
72.99329	3.5
76.33881	0.5
85.02950	1.4
85.09405	0.6
87.04536	0.8
95.05039	0.7
99.00910	0.6
111.04530	1.4
113.02440	1.6
113.09752	1.5
123.08189	0.7
125.06113	0.6
139.03976	0.6
165.05605	1.1
166.06322	0.8
177.52077	0.6
181.05144	0.7
181.08722	15.7
182.09134	1.0
183.06664	4.1
189.38977	0.6
197.08092	0.6
207.06630	2.2
209.08258	1.5
221.08290	0.9
225.07697	25.7
237.11435	0.8
241.12416	0.9
279.12521	2.2
309.03189	0.7
309.06512	0.7
310.05441	2.5
335.15240	1.0
441.33981	1.1
453.33755	36.4
454.34323	3.5
471.34891	2.0
472.35309	0.6
483.20441	0.7
485.32520	1.4
487.34439	2.0
509.32489	5.6
510.32785	1.1
527.34094	1.3
545.35028	100.0
546.20557	0.9
546.35303	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	545.3487
Annotation	Heracleifolinol
Peak:m/z	Relative Intensity
52.37022	0.6
59.01096	1.2
59.01380	17.4
60.01696	0.5
61.98819	1.7
70.33827	1.2
72.99312	5.7
73.84082	0.5
75.00883	0.8
82.15562	0.6
84.20185	0.5
91.07288	0.6
97.06604	0.6
101.08000	0.6
179.26736	0.7
190.68921	0.7
302.67438	0.6
309.59360	0.6
453.33868	1.6
455.31836	2.2
462.32129	0.6
471.31171	2.4
485.32742	4.2
487.35379	0.7
499.41669	0.7
523.15851	0.7
527.33606	2.0
545.34912	100.0
546.35193	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	545.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	16.1
61.98833	2.6
65.05486	0.9
65.07683	0.9
66.27746	0.8
69.07555	7.6
72.99308	10.4
75.00884	1.2
97.06593	1.4
116.92835	1.1
125.09780	1.6
126.45780	0.9
129.81642	1.0
149.41702	0.9
165.63771	1.0
197.42451	1.0
249.14676	1.0
405.37088	1.1
407.33270	1.3
439.32422	1.2
448.91394	1.0
453.33594	9.3
485.33047	2.8
487.34412	3.4
501.32587	1.3
527.33972	1.6
545.35120	100.0
546.35480	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	546.1106
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	2.3
62.40196	2.0
65.91784	1.9
68.99418	16.8
107.01397	3.3
109.02944	2.2
112.04940	2.0
113.68304	1.9
123.00910	4.9
125.02461	24.0
132.57306	2.0
139.00441	2.9
139.04024	45.3
140.01146	2.2
151.00383	4.0
162.80440	1.9
167.03329	2.6
168.00639	4.5
169.01437	28.2
169.05077	77.0
177.01965	2.7
269.78879	2.3
275.02109	2.5
300.99854	4.3
312.76816	2.0
313.05658	11.0
331.10507	10.4
354.32678	2.3
483.11508	100.0
484.11520	6.4
502.03946	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	546.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	8.2
71.01398	2.3
80.46584	1.2
86.43327	1.5
86.96910	1.4
88.98823	3.1
96.96033	3.8
101.02454	1.8
107.01391	4.4
109.03011	1.5
111.00904	3.9
117.13958	1.4
123.00910	5.4
125.02459	28.8
136.98796	2.2
139.00395	15.3
139.03911	1.7
140.01164	8.2
151.00391	5.0
153.01881	2.4
154.02719	11.4
155.03500	2.1
168.00644	10.5
169.01436	41.6
169.05051	2.9
183.02997	4.6
297.06314	2.3
313.05728	9.0
342.21896	1.3
393.35471	1.4
445.78110	1.6
483.11465	100.0
484.12177	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	546.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	7.9
59.30358	2.5
61.98824	11.0
71.01374	7.6
85.02953	3.1
89.02432	4.6
95.01447	2.3
97.02962	2.2
98.21744	5.2
99.42445	2.0
100.43102	2.3
101.02475	4.8
107.01415	6.0
109.02830	2.7
111.00880	4.8
113.02418	3.4
119.03542	2.6
122.08845	2.4
123.00921	10.3
123.04518	2.5
125.02464	27.6
125.27741	2.2
127.00406	2.6
136.98837	2.1
137.02499	2.1
139.00381	15.8
140.01147	11.9
141.01933	3.2
151.00346	6.1
151.03993	3.1
153.01927	3.3
154.02698	11.9
155.03461	4.2
161.02368	2.8
163.04108	2.3
164.04721	3.5
167.03557	4.5
168.00661	6.2
169.01453	25.2
169.05049	4.9
179.05603	2.5
183.02950	11.7
225.03937	3.2
313.05597	6.0
327.07111	3.8
379.91818	2.1
384.14386	11.7
483.11453	100.0
484.11749	11.2
546.19568	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	546.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16639	1.6
61.98820	5.8
66.45547	1.6
70.39274	2.0
71.01391	3.8
107.01400	5.2
111.00874	3.7
113.88451	1.6
123.00909	4.5
124.01620	1.7
125.02451	31.2
127.00326	2.7
139.00385	8.0
140.01144	5.8
148.56691	1.6
151.00381	4.2
153.01956	4.5
154.02664	5.7
155.03497	2.5
168.00656	8.8
169.01430	35.9
169.05119	2.6
175.02452	1.7
219.73190	1.6
234.61693	1.8
297.06226	4.8
313.05667	7.2
483.11450	100.0
484.11694	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	546.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	4.4
61.98835	6.1
71.27726	1.8
73.14642	1.8
92.95311	1.3
96.14779	1.3
96.39596	1.2
113.02438	1.4
165.81654	1.3
167.04965	1.3
197.11800	3.6
210.34193	1.5
213.97827	1.4
283.06140	42.0
284.06555	1.5
309.20969	2.1
310.21143	2.1
311.05652	30.0
312.06259	2.2
325.07565	1.6
326.07986	56.9
327.08508	5.3
337.92575	1.4
341.10318	100.0
342.10623	6.8
383.16711	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	6.3
59.01101	5.0
59.01384	95.0
61.98823	16.3
69.03479	6.1
71.01385	93.0
72.99303	7.7
73.02945	12.9
76.78156	3.9
83.01382	13.9
85.02961	23.8
85.06943	4.1
87.00877	16.9
89.02450	100.0
97.02958	9.7
98.21786	9.0
99.00896	8.5
101.02453	80.7
109.02965	6.7
111.00858	11.8
113.02456	40.0
116.92828	4.7
119.03518	59.3
121.02930	13.6
123.00879	6.2
125.02455	54.5
131.03487	13.7
134.46776	5.2
143.03482	15.1
149.04579	6.1
149.26793	4.4
161.04597	21.0
163.03969	14.0
164.04797	79.1
165.01904	4.2
167.03471	4.9
169.01361	9.3
179.05598	33.8
179.07152	50.6
185.08287	4.9
195.06682	6.8
205.93367	4.3
219.83247	5.0
221.06638	30.7
245.06725	6.1
263.07730	14.6
265.07480	5.0
323.09827	59.5
324.09885	4.0
365.35623	4.9
384.14536	13.5
439.76447	5.1
453.00320	5.1
483.11517	12.4
503.17130	25.7
546.19482	8.5
547.23737	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	546.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82650	0.6
59.01384	3.6
61.98515	0.9
61.98830	10.4
69.06797	4.3
71.01385	2.9
79.01898	0.9
83.01385	1.0
85.02963	2.7
89.02438	1.0
89.20528	0.7
95.01421	1.6
96.96025	10.7
98.22617	1.3
101.02451	2.5
107.01418	2.3
111.00911	1.5
113.02495	0.9
123.00902	8.9
125.02474	8.1
127.00336	1.0
138.55067	0.8
139.00377	3.5
139.04037	1.7
140.01154	2.3
141.01939	1.1
151.00365	6.6
153.01967	1.5
154.90863	0.8
168.00661	3.2
169.01437	13.4
172.16034	0.7
177.01959	1.0
183.02989	3.3
191.03400	0.9
197.04384	1.0
299.99188	1.8
303.05057	1.4
313.05664	1.2
315.01651	1.1
327.07156	3.6
339.50439	0.7
458.76978	0.8
483.18781	100.0
484.19156	5.8
547.02081	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24551	0.6
52.35378	0.6
59.01389	4.2
61.98562	0.7
61.98840	8.2
71.01388	3.9
71.29862	0.8
73.02956	1.0
83.01394	0.8
85.02957	1.8
89.02454	1.3
93.62998	0.6
95.01404	1.4
97.02919	0.9
97.55878	0.6
101.02454	2.4
107.01377	1.6
111.00893	1.8
113.02443	2.1
119.03499	0.7
122.93814	0.6
123.00904	8.5
125.02448	9.0
131.03532	0.5
139.00386	3.5
140.01184	2.0
141.01961	1.1
149.04584	1.3
151.00377	6.4
168.00655	1.7
169.01431	13.0
179.05711	0.6
313.05750	1.8
328.61414	0.6
347.41141	0.6
407.07626	0.9
408.08206	2.7
483.18765	100.0
484.19141	6.7
546.17249	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.308
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53365	12.3
59.01377	50.1
61.98837	100.0
65.49601	14.1
73.02945	31.2
76.77454	12.8
77.23526	13.5
88.21413	12.5
99.04520	14.9
118.94746	14.9
264.70969	15.1
354.17645	15.2
385.16452	19.7
409.27472	30.5
411.12582	14.6
441.30154	63.7
477.37912	17.3
501.68015	15.2
503.30331	66.7
546.15430	21.5
546.27698	24.0
547.21545	34.1
547.28979	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04729	12.4
52.20642	12.2
52.82399	11.9
59.01384	66.7
61.98836	76.8
69.77042	54.8
113.16765	11.9
116.59459	13.3
398.71057	14.2
457.17938	14.8
546.34399	100.0
547.30280	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	546.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09202	12.8
59.01386	69.4
61.98837	100.0
78.93906	13.4
83.07481	14.2
85.02982	18.2
95.05045	13.6
109.02949	24.9
125.09723	13.9
127.80518	15.4
128.67657	13.1
139.07686	13.8
181.08720	27.5
203.17534	14.8
220.06844	15.8
256.98386	14.5
283.43390	15.4
311.05362	33.2
315.99149	17.6
341.10110	17.0
352.46536	14.9
441.93301	17.7
503.33838	26.3
543.89386	14.3
546.34601	42.1
547.21332	29.0
547.29840	44.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62848	13.2
54.14354	10.9
57.03459	14.6
59.01379	88.5
61.98836	96.7
69.67524	20.8
69.67884	53.1
72.99293	17.4
75.00877	28.4
83.05038	20.3
84.46111	12.4
87.04550	13.7
95.05103	14.0
113.88201	13.2
165.09152	13.7
181.08658	26.4
187.09761	12.7
195.06770	14.4
209.08215	100.0
209.22948	14.6
211.87732	13.7
224.39209	13.5
233.08173	21.6
310.82635	12.6
342.07565	13.6
369.09659	15.5
427.17697	28.4
442.30496	29.2
456.32431	19.1
472.31705	41.5
474.33258	55.8
503.30679	14.5
518.32050	52.9
546.34003	58.8
547.30487	45.2
547.35187	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	546.344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21375	6.6
59.01395	32.4
61.98828	25.9
69.23655	30.5
69.24037	12.2
72.99313	6.5
83.00291	5.4
111.04546	10.2
133.02963	9.1
137.02409	8.1
161.02444	22.2
181.08707	20.6
207.06667	15.3
208.63446	6.7
209.08293	8.8
221.08159	10.7
225.07675	41.5
263.93896	6.0
409.27890	9.6
425.30475	20.2
426.31076	5.7
439.32224	24.0
440.32437	8.6
441.33707	59.9
485.32886	47.4
486.32980	19.1
503.33661	72.0
546.34918	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.0734
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33173	0.6
50.59229	0.5
53.84185	0.6
57.03446	1.6
60.99315	5.0
67.01887	0.5
69.03479	0.8
69.08270	3.2
69.08681	1.1
72.65024	0.5
81.74454	0.5
83.01405	0.8
88.98813	26.6
89.37094	0.5
95.01366	0.6
96.96011	2.0
97.02939	0.9
105.03461	0.7
109.02964	0.9
115.72899	0.7
119.29941	0.6
123.00889	1.0
125.02457	48.9
126.02796	1.0
128.31151	0.6
131.53864	0.5
137.02446	1.9
149.02483	0.6
161.02454	3.2
165.01935	1.1
167.03494	1.3
169.01440	100.0
170.01776	2.6
177.01923	0.7
177.05649	0.7
179.03470	1.1
193.01469	1.5
217.91133	0.6
219.06619	0.6
269.04660	1.3
287.05640	1.5
305.06601	5.3
331.04507	1.8
457.07913	6.4
466.14450	0.5
484.11835	1.4
521.54993	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.3
59.01383	24.0
61.98830	9.1
71.29924	1.9
75.81150	1.2
78.95911	2.5
106.60742	1.2
116.92849	1.5
123.72437	1.4
134.71222	1.6
196.89409	1.5
356.03339	1.8
370.01089	3.4
381.04309	1.7
384.02786	3.7
385.03375	5.2
393.04010	1.7
395.01736	4.3
396.03088	1.4
399.05258	5.7
400.05942	3.0
411.05109	4.5
412.02112	4.2
413.02841	21.0
414.03238	2.2
427.04510	18.0
428.05356	26.5
429.05676	3.6
437.06967	2.2
442.06992	12.7
443.07770	33.1
444.08160	2.5
458.09976	5.2
472.08151	1.6
507.30215	2.1
532.13586	5.2
547.07379	3.7
547.16089	100.0
547.29028	4.0
548.16516	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	547.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.8
58.03071	0.3
59.01384	3.3
61.98813	1.2
65.00324	0.9
69.80646	0.3
71.01379	0.7
71.28030	0.4
76.13352	0.4
81.03461	5.3
83.01394	1.3
89.02438	0.6
99.08168	0.7
101.02449	0.5
101.06074	0.7
107.01388	0.9
108.02157	0.8
109.02955	0.7
121.03005	0.4
122.03751	1.6
123.08186	2.8
125.02465	11.0
125.06094	5.2
126.02823	0.4
132.02153	0.6
134.03777	0.5
141.09256	0.3
144.81261	0.4
149.02443	1.5
149.06027	0.4
151.00386	1.5
151.04041	0.5
152.01173	0.7
160.01665	2.5
164.39717	0.4
165.09224	24.6
166.09534	0.6
175.03998	2.4
181.08713	0.6
191.07166	1.0
193.04977	0.6
195.06628	0.5
209.08206	100.0
210.08553	3.0
223.09616	0.7
233.08269	1.8
251.09258	0.9
311.12616	0.6
314.14093	0.3
337.09293	1.9
343.15613	0.5
463.11551	0.4
503.30258	0.5
547.17554	2.2
547.29620	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	547.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	4.0
57.29041	1.8
58.00600	2.9
59.01384	100.0
61.98840	9.5
69.03455	3.3
71.00986	2.3
71.01387	39.9
72.99297	4.1
73.02950	31.4
83.01386	5.0
83.75784	1.8
85.02962	14.1
85.36257	1.6
86.26409	1.9
87.00880	8.3
87.04503	4.9
89.02456	34.0
93.03391	2.2
96.96007	4.2
97.02996	1.9
97.43388	2.1
99.04514	2.0
101.02454	64.0
103.04018	21.5
109.02961	3.1
113.02458	7.2
115.04003	3.7
119.03519	16.0
123.04538	6.0
123.90136	1.7
125.02454	12.2
131.03528	10.0
137.02399	5.0
139.11234	3.7
143.03526	8.9
145.02998	2.3
145.05037	6.4
149.06059	2.1
151.04068	2.3
160.04002	11.7
161.02400	3.5
161.04474	4.7
161.09735	4.4
161.13377	2.0
163.06133	88.9
169.01440	2.0
177.01915	5.6
179.03612	2.7
179.05693	2.7
179.10750	2.9
183.10257	5.4
184.86459	1.8
186.29179	1.7
187.11284	4.9
189.09105	3.4
205.07173	20.0
205.12286	4.3
207.10260	2.1
239.63336	1.8
255.02939	2.2
265.09305	4.9
271.06094	5.3
284.03189	2.8
289.07138	9.3
297.11853	4.9
321.11829	2.7
334.18881	1.9
375.77472	2.0
385.12833	5.0
385.21906	1.9
547.14923	5.2
547.24213	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3283
Annotation	Quadrangularic acid F
Peak:m/z	Relative Intensity
53.71722	0.8
55.37976	1.0
58.00587	1.6
59.01384	16.8
61.98827	6.8
69.45665	5.6
71.01369	1.6
72.99310	14.8
73.02950	12.5
78.50193	1.1
83.05032	1.2
85.02940	1.5
115.21552	0.9
183.10286	2.0
232.94170	1.0
311.22394	3.0
345.74661	0.9
455.31711	7.7
472.60028	1.2
473.32553	1.2
475.34442	2.1
480.30786	1.0
547.32904	100.0
548.33209	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	547.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49249	0.3
54.97814	0.3
56.53746	0.3
59.01382	100.0
60.01712	0.7
65.76070	0.3
68.79925	0.3
69.05866	0.9
69.06278	1.9
82.45969	0.3
98.21814	0.6
109.05163	0.3
111.04530	0.5
118.82710	0.3
121.00667	0.3
125.06104	0.4
130.96399	0.3
179.07211	0.4
181.08792	1.0
183.06709	0.3
197.08417	0.3
209.08305	0.4
225.07765	1.1
239.09355	1.3
274.75665	0.3
372.64291	0.3
381.09952	0.4
547.29028	0.5
547.36481	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01707	0.6
60.16034	0.6
60.59567	0.5
61.98834	7.1
69.07256	3.7
87.92115	0.5
99.92637	0.5
115.92017	0.6
119.05093	0.8
128.34602	0.5
147.14662	0.5
178.44890	0.5
186.76721	0.6
420.05911	0.6
547.29309	0.8
547.35889	2.0
566.87555	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88260	1.3
60.46478	1.2
61.36868	1.3
61.98835	100.0
71.01422	1.5
78.71738	1.1
79.42086	1.4
94.17323	1.5
95.52235	1.3
98.72697	1.4
109.02962	2.1
114.94173	1.6
129.13428	1.4
205.24100	1.3
214.11606	1.6
229.05234	1.7
235.85649	1.4
241.05142	2.2
243.06693	2.4
245.05313	1.3
254.99225	1.8
269.98035	4.6
285.00473	5.2
297.97565	18.7
312.99927	30.3
314.00314	1.9
314.48456	1.5
328.02283	34.8
329.02951	4.8
343.04605	70.9
351.21881	3.9
353.02841	2.8
357.71198	1.4
375.08655	4.8
428.88263	1.6
485.12381	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	548.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
69.07594	0.7
69.08015	0.4
69.47284	0.1
73.41175	0.1
87.44743	0.1
92.77002	0.2
106.31576	0.2
159.04584	0.2
160.81773	0.2
186.75331	0.1
190.50687	0.2
201.05695	0.2
241.05252	0.3
243.06604	2.4
380.51505	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27224	0.3
54.65874	0.4
59.01387	1.3
61.98834	100.0
69.31454	2.8
70.91720	0.4
71.01404	0.7
73.16846	0.3
85.87707	0.3
90.11332	0.4
109.02994	1.2
124.01495	0.4
125.02422	0.4
135.04541	1.1
136.73932	0.4
137.02498	0.9
151.00375	2.0
169.01514	1.0
171.53668	0.5
239.05711	0.8
243.06792	1.1
265.05148	0.5
287.05609	0.8
287.20123	0.4
313.00165	0.5
328.02393	0.5
343.04617	0.9
349.20337	2.1
350.20428	2.6
375.08853	0.9
485.12509	6.2
486.12766	0.8
548.29114	0.8
549.23053	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	548.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00064	0.3
59.01383	0.3
61.98835	100.0
67.14497	0.3
69.72800	1.2
108.02182	0.5
109.02969	3.3
135.04585	0.5
159.04527	0.4
164.83846	0.3
171.04596	0.3
173.05968	0.4
197.06137	0.5
199.04024	0.4
201.05614	0.5
211.04135	0.4
213.05644	1.2
225.05621	0.3
229.05167	0.7
241.05083	3.7
243.06662	2.3
253.05211	0.8
265.05124	0.5
291.06711	0.5
305.08167	0.7
307.09784	0.6
333.07883	0.8
347.41962	0.3
357.07886	1.1
363.08459	0.7
375.08667	3.6
485.12439	22.2
486.12973	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	548.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28556	3.4
57.59515	3.8
58.70219	3.7
59.01362	4.6
69.00142	33.7
100.02381	3.7
101.02452	5.1
107.40601	3.5
117.54691	3.3
132.72995	3.2
136.01666	36.9
137.02524	3.9
151.04002	50.7
165.05544	3.9
175.07692	7.4
203.59744	3.5
310.11990	4.3
328.13116	7.4
343.15460	100.0
343.19339	7.2
344.15973	4.7
411.32452	4.0
571.09637	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	548.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17788	6.5
57.03440	9.5
59.01388	39.1
59.01638	6.5
61.98812	10.6
70.87967	7.2
71.01386	26.6
73.02953	12.6
82.96478	6.5
87.44295	7.2
89.02440	14.8
98.22629	12.8
101.02432	9.4
101.24098	8.1
113.02495	9.6
123.00882	8.6
125.02502	9.3
130.70018	6.9
136.01674	28.8
137.02454	19.6
144.22514	7.0
151.03981	36.0
161.04617	9.8
175.07758	7.4
176.44594	7.3
178.91637	6.5
251.97119	7.9
280.78024	6.9
313.03363	15.0
316.01437	6.8
328.13162	10.7
343.08401	15.0
343.15494	100.0
548.29065	8.2
549.23181	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	548.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	6.1
61.98833	100.0
69.15922	0.9
69.66697	4.8
91.82983	0.9
92.87016	1.0
96.96043	1.0
105.60812	1.0
184.00301	1.0
253.14110	0.9
311.14377	0.9
349.58728	1.0
546.78363	1.0
548.29468	1.8
548.36920	1.2
565.89984	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	12.6
61.98837	19.1
63.49598	2.1
69.59936	1.6
71.28945	2.3
71.29305	2.3
72.04548	4.0
73.04079	4.0
74.02468	2.4
83.02519	5.2
85.04061	3.0
87.05641	2.1
92.72823	2.0
98.02489	2.3
109.28278	1.8
112.04053	77.1
113.03580	100.0
116.92829	2.0
129.06703	24.5
138.05663	1.9
144.07787	10.7
183.07742	2.8
186.08846	2.6
226.08351	15.1
236.16638	2.3
237.67143	1.8
244.09372	13.0
244.27963	1.8
249.39497	1.8
424.24600	65.0
424.30280	3.7
425.24820	4.6
450.26086	22.7
468.27170	29.3
512.29761	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	548.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47673	3.9
59.01131	6.3
59.01381	72.5
61.98824	21.2
66.10247	4.8
71.01394	38.8
71.28803	5.5
73.02942	13.2
79.43136	5.3
81.81331	4.6
83.01441	8.2
85.02959	14.9
89.02451	15.0
99.00851	7.5
101.02456	18.9
102.97832	4.3
108.02159	11.1
109.02944	11.1
113.02480	13.8
116.05081	10.4
119.03518	7.0
125.02445	12.7
134.53467	4.5
137.02399	5.0
149.06133	5.3
151.04140	5.6
161.02449	14.7
161.04546	7.1
169.01347	5.9
179.07112	8.7
181.05086	6.0
243.12375	13.8
261.07477	5.9
345.15521	6.9
378.97217	5.3
429.19189	8.6
505.33835	100.0
506.33792	7.4
548.19177	9.6
548.28534	10.4
549.23334	38.0
549.30743	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.0345
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74467	0.4
59.01382	0.8
61.98832	0.6
64.37312	0.4
70.33707	1.0
87.20535	0.4
95.01373	0.9
96.96012	1.5
97.59602	0.4
99.92594	15.1
100.92628	0.5
108.02179	3.3
111.95486	0.4
115.92101	1.5
116.92871	100.0
117.92837	2.1
123.00891	7.8
124.01137	0.4
125.02438	1.0
137.02440	0.5
152.01144	0.8
169.01347	0.6
190.94389	0.5
207.91699	1.1
207.94702	12.8
208.95084	0.6
234.93393	2.8
235.94072	1.3
251.93813	0.7
263.93622	0.5
271.02768	0.4
277.02197	0.4
299.02011	0.7
300.02740	0.5
379.98401	0.7
403.21823	0.4
470.83527	0.5
505.04379	1.8
531.02484	0.6
539.17126	0.4
549.03485	44.8
549.30176	0.9
550.03741	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	549.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01134	1.0
59.01388	11.0
59.98159	0.7
69.06991	6.2
69.07318	1.4
76.60008	0.8
96.95999	0.9
98.22543	1.5
120.55858	0.8
125.02398	1.1
132.02167	1.6
145.58577	0.9
148.94479	0.8
156.02164	3.2
160.01666	1.5
172.01625	1.3
175.03891	0.9
184.01610	3.4
200.01131	5.9
209.02434	1.2
212.01138	2.1
226.99973	0.9
228.00645	4.3
240.00642	11.0
240.88745	0.9
243.06673	1.5
254.99367	1.7
256.00128	1.8
256.22897	0.9
269.04538	2.6
281.01001	2.1
282.98758	1.7
283.99628	8.4
285.00214	0.8
287.05692	0.9
310.98419	1.4
311.99124	97.1
312.99753	13.6
325.00012	1.5
327.01462	100.0
328.01794	3.9
336.99881	4.6
475.04456	0.9
549.30127	1.3
552.21716	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	2.1
60.59132	0.4
61.98836	4.9
70.01052	1.1
77.03960	2.0
78.45283	0.3
79.28246	0.3
93.03481	0.7
98.22501	0.4
108.02190	0.3
116.92889	0.4
121.02969	100.0
122.03312	1.9
133.90524	0.4
148.50821	0.3
159.87154	0.4
165.01944	50.2
166.02306	1.5
180.05835	0.8
181.06616	2.7
181.08528	0.3
197.06078	2.0
207.04512	0.9
225.05592	1.6
257.09744	0.7
313.07236	1.3
357.06393	0.5
373.10519	0.4
417.09808	2.3
446.91275	0.4
488.31641	0.4
505.11404	1.5
548.36688	0.5
549.10449	24.6
550.10907	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.7
57.20131	0.7
58.42221	0.7
59.01382	28.9
61.98846	1.2
69.51389	2.6
69.51802	1.4
71.01385	1.1
85.90719	0.7
87.00900	0.7
98.22547	0.7
107.01345	1.1
108.02185	1.6
109.02956	1.3
123.00881	2.7
123.04517	1.4
125.02446	3.8
141.01971	0.8
151.00377	1.2
166.99895	0.8
169.01462	4.2
175.42717	0.7
177.09198	3.3
187.97679	0.6
193.08701	4.7
197.70100	0.6
209.08162	2.3
269.04562	31.0
270.04904	1.4
284.06955	1.4
297.04044	21.4
297.07434	1.0
298.04584	1.7
299.51431	0.8
308.11984	0.8
312.06409	71.6
313.06873	5.4
327.08749	100.0
328.09082	6.3
549.20068	12.5
549.30884	2.1
550.19971	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	549.162
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	37.7
58.50382	1.4
59.01383	20.0
60.15287	1.2
61.98829	9.6
65.03947	2.7
67.01883	2.0
68.98780	12.3
71.01382	1.8
77.19675	1.4
81.03480	1.8
85.02940	1.6
91.01902	33.0
98.22536	3.3
99.04523	24.8
101.02444	9.7
102.63434	1.2
107.01414	2.1
107.26373	1.2
108.02209	8.6
109.02962	40.7
112.04915	1.2
117.70570	1.3
121.02991	5.9
123.00883	3.3
123.04519	1.4
125.02454	22.2
135.00893	96.2
135.04512	2.3
136.01247	3.1
136.25374	1.3
137.02435	3.0
139.04013	1.5
146.39130	1.1
151.00351	1.5
152.01161	9.1
153.01950	100.0
161.02399	2.0
167.03461	2.1
169.00163	1.3
169.01425	7.6
177.01991	1.8
189.05577	1.7
218.05890	2.2
237.42815	1.2
242.40790	1.2
243.06636	5.7
244.03638	1.2
271.04648	2.0
279.05075	10.1
297.06165	17.1
315.07065	2.4
339.07217	32.7
340.07428	1.4
351.21841	2.7
379.10342	5.5
387.23978	1.6
405.11920	10.2
447.12988	6.5
549.20313	16.5
549.30530	2.3
550.20557	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	549.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41804	0.8
57.03445	0.9
59.01389	9.0
61.98813	2.1
65.00334	0.9
67.01881	1.0
71.01395	4.3
71.06703	0.6
72.99300	1.4
73.02937	2.1
76.48363	0.8
79.01892	1.3
83.01394	1.9
85.02954	2.2
87.00861	0.9
89.02444	2.1
93.03432	1.0
95.01393	3.2
96.96024	6.2
97.02999	1.9
101.02454	3.0
107.01409	10.6
109.02948	2.0
111.00875	3.3
113.02474	1.1
116.92883	0.8
119.15391	0.7
123.00894	19.1
124.01621	0.9
125.02459	33.6
127.00375	1.9
133.02946	3.4
136.98833	1.9
137.02446	3.3
139.00380	7.9
139.03989	1.5
140.01175	4.1
141.01938	2.2
147.93152	0.8
151.00391	9.4
151.03963	1.1
153.01930	2.1
153.61533	0.8
161.02466	10.4
165.09116	0.8
166.99837	2.8
167.03545	0.7
168.00705	4.0
169.01443	39.8
179.03487	1.7
183.03206	0.8
185.56335	0.7
192.08051	0.8
197.04570	1.9
206.38333	0.8
207.10275	0.8
261.83383	0.7
313.05615	0.8
325.24054	0.8
349.20251	2.9
351.21826	5.1
387.16660	7.6
451.08817	0.8
457.33105	0.8
513.27032	3.5
549.16107	100.0
549.30328	3.7
550.16412	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41804	0.8
57.03445	0.9
59.01389	9.0
61.98813	2.1
65.00334	0.9
67.01881	1.0
71.01395	4.3
71.06703	0.6
72.99300	1.4
73.02937	2.1
76.48363	0.8
79.01892	1.3
83.01394	1.9
85.02954	2.2
87.00861	0.9
89.02444	2.1
93.03432	1.0
95.01393	3.2
96.96024	6.2
97.02999	1.9
101.02454	3.0
107.01409	10.6
109.02948	2.0
111.00875	3.3
113.02474	1.1
116.92883	0.8
119.15391	0.7
123.00894	19.1
124.01621	0.9
125.02459	33.6
127.00375	1.9
133.02946	3.4
136.98833	1.9
137.02446	3.3
139.00380	7.9
139.03989	1.5
140.01175	4.1
141.01938	2.2
147.93152	0.8
151.00391	9.4
151.03963	1.1
153.01930	2.1
153.61533	0.8
161.02466	10.4
165.09116	0.8
166.99837	2.8
167.03545	0.7
168.00705	4.0
169.01443	39.8
179.03487	1.7
183.03206	0.8
185.56335	0.7
192.08051	0.8
197.04570	1.9
206.38333	0.8
207.10275	0.8
261.83383	0.7
313.05615	0.8
325.24054	0.8
349.20251	2.9
351.21826	5.1
387.16660	7.6
451.08817	0.8
457.33105	0.8
513.27032	3.5
549.16107	100.0
549.30328	3.7
550.16412	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	11.2
59.01385	78.5
61.98840	8.5
69.26646	21.9
70.35311	3.0
71.01392	35.6
73.02945	12.7
73.89429	3.3
83.01409	8.3
85.02975	16.3
87.00893	4.2
89.02454	20.0
95.01405	3.9
95.05050	4.0
96.95973	3.5
98.21793	5.7
99.00881	7.3
99.04568	3.0
101.02480	19.2
107.01445	3.5
108.02181	60.4
109.02974	37.0
111.00910	5.7
113.02473	14.7
117.48386	3.1
119.05094	3.9
120.99670	9.8
121.02995	5.4
123.00928	4.8
123.03780	3.5
123.04522	22.5
125.02475	53.8
131.03468	3.4
133.03082	4.7
135.04547	6.6
137.02443	19.0
139.11270	6.2
145.02954	15.8
149.02478	5.8
149.06079	4.0
151.04095	4.7
152.01167	47.8
153.01979	20.6
155.95065	3.2
159.04523	6.7
160.01772	2.8
160.04053	27.8
161.02455	14.8
161.04407	18.0
161.06055	3.1
169.01508	5.1
173.06166	5.3
174.06912	15.5
175.03952	4.7
175.07681	8.5
179.03481	3.8
179.39645	3.4
181.05092	9.2
183.10292	10.7
185.11906	8.3
187.78105	4.0
189.09241	8.0
190.02737	6.6
192.07907	4.0
201.11279	5.7
203.07271	5.0
205.05177	6.7
209.11909	5.1
218.05844	3.3
219.06693	12.0
225.11470	4.9
227.12848	5.2
233.08194	13.9
237.11351	6.3
243.16066	6.0
255.05350	3.8
271.06100	45.2
287.71698	3.5
289.07239	20.1
309.11563	4.1
315.07236	6.3
343.24985	5.5
367.09387	3.7
375.27460	7.0
381.11905	3.8
387.14795	14.6
387.24054	9.7
411.29031	6.2
443.31711	10.6
475.30969	4.0
505.30612	9.8
517.13989	5.1
531.28009	7.1
549.16302	82.7
549.29114	100.0
550.17578	4.2
550.30017	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82867	0.8
59.01382	8.6
61.98838	0.9
63.02375	0.8
65.00322	2.7
68.25962	0.7
71.01393	6.5
71.28101	0.8
71.28468	0.8
72.99323	1.6
83.01401	1.2
85.02983	1.6
87.00874	1.4
88.61042	0.7
89.02448	5.3
91.01903	13.1
94.98087	6.4
95.01395	2.1
96.96032	2.7
97.02980	2.0
101.02438	4.4
107.01375	1.1
108.02174	3.2
109.02961	2.5
111.00890	2.2
113.02457	2.3
119.03505	2.7
120.99682	1.5
121.02988	1.4
123.00906	1.9
123.04536	35.7
124.01678	1.9
125.02458	6.4
134.03760	1.2
135.04527	0.7
137.02464	1.1
152.01157	5.7
161.04594	1.1
163.03995	0.8
165.01973	1.0
166.06358	0.7
167.03506	100.0
168.00430	0.6
168.03815	2.1
169.01491	5.8
177.01839	0.7
179.05586	1.4
191.03455	0.7
193.01250	0.7
201.01886	1.0
221.06602	0.9
229.01398	1.2
230.01703	1.1
231.03198	0.8
241.05092	0.9
247.20041	0.7
249.04044	1.3
257.00723	1.0
258.01645	1.0
267.03751	0.7
271.09592	1.0
275.02039	3.5
276.02347	1.0
299.09372	1.1
300.99991	2.9
302.00482	1.1
325.07031	1.1
351.21674	0.9
381.17676	0.9
387.10941	1.8
387.20511	0.7
443.99677	0.8
453.10397	1.8
461.10706	0.7
534.92310	0.8
549.15662	3.1
549.23248	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	549.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	21.7
61.98821	16.8
69.07614	12.7
69.08021	14.1
79.47092	4.1
85.02931	4.0
98.41308	3.7
116.92841	4.1
123.04498	7.9
125.02489	5.7
137.02377	8.9
152.01125	4.9
167.03505	19.3
191.03458	3.7
268.83823	3.8
312.06232	4.4
325.10635	4.2
327.08725	8.4
329.13919	7.9
341.10464	5.2
342.11069	16.7
357.13440	85.0
358.13995	4.6
372.15799	27.1
387.18155	100.0
549.23212	13.2
549.30579	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	549.234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41308	0.4
59.01382	9.2
61.98826	1.0
67.01901	0.8
71.01385	1.6
72.99328	0.6
73.02947	0.6
75.52856	0.4
76.55048	0.4
79.01894	1.1
81.86961	0.4
83.01380	0.9
85.02963	1.3
85.67914	0.4
93.03471	0.4
95.01395	1.5
101.02451	1.7
107.01411	2.5
108.02183	0.6
109.02966	0.8
111.00869	1.9
113.02454	0.6
123.00900	11.2
124.01659	0.6
125.02470	10.6
127.00367	0.8
136.98840	0.9
137.02454	0.6
139.00383	4.7
139.04004	2.0
140.01175	2.7
141.01932	1.3
151.00391	8.5
152.01125	0.4
153.01962	1.4
163.04044	0.6
167.03473	0.6
168.00647	2.4
169.01448	16.0
169.05074	3.1
177.01877	0.4
181.05106	0.6
193.05087	0.8
313.05685	1.5
326.84677	0.5
403.35895	0.4
474.20911	0.4
518.09637	0.5
537.07745	0.5
549.23450	100.0
550.23798	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	549.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86269	0.7
55.01878	0.8
57.03439	1.9
59.01383	52.9
61.98837	0.8
71.01391	7.3
71.29060	1.3
73.02909	2.9
83.01394	1.6
85.02916	2.5
87.00853	0.9
87.04504	1.8
89.02418	3.1
99.04460	0.8
101.02443	5.0
108.02143	3.3
109.02902	2.7
113.02420	2.4
119.03447	1.6
123.04491	1.9
125.02414	1.4
137.02388	2.4
137.09711	0.9
139.04001	1.2
139.11302	20.2
140.11655	0.9
149.02332	1.0
149.04555	0.8
151.00351	1.4
152.01048	2.6
153.01836	2.9
161.04488	1.2
163.11218	1.2
165.09105	1.2
170.05057	0.7
175.07582	2.3
179.10728	1.3
181.08786	5.6
181.12357	10.0
183.10263	23.1
188.36041	0.8
190.02625	1.9
193.08510	1.0
195.13754	0.9
196.62381	0.8
197.11722	2.2
199.13399	5.0
201.11388	1.0
204.04161	1.4
205.04939	2.6
205.08855	0.8
207.10233	0.8
225.11368	15.6
227.12753	1.6
233.08243	4.2
243.12381	38.1
244.12587	1.6
257.13803	1.3
267.12289	1.3
268.07410	1.4
285.13486	17.7
301.10550	2.5
313.99899	1.4
315.07172	1.5
315.14343	1.5
327.14343	1.1
329.02374	1.5
344.04727	1.9
345.15524	7.0
367.10120	2.2
374.58115	0.8
387.13971	0.9
387.23486	0.9
405.17630	4.9
487.25192	1.5
489.23422	8.4
505.16714	0.9
531.15070	1.1
531.23328	1.4
549.25183	100.0
550.25391	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	549.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98830	53.0
71.28259	30.1
105.63363	20.5
126.13146	23.0
127.32011	21.2
135.08514	25.0
167.34070	19.4
215.09641	20.0
272.61322	21.0
303.86661	21.9
471.34760	29.0
489.35703	36.3
549.29700	63.0
550.30609	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	549.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36669	11.7
69.01175	29.1
69.01573	100.0
69.08150	13.1
86.16478	13.3
87.51219	14.2
93.89077	12.1
98.22581	29.8
136.80470	12.4
173.23518	13.6
176.25215	12.1
248.01003	13.5
259.69162	16.7
295.59012	18.7
386.38702	14.2
469.45349	14.9
481.41727	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	549.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03902	0.9
69.04321	0.5
71.01383	0.3
72.09034	0.1
78.95907	5.7
79.95740	2.3
96.96021	100.0
96.96928	9.5
99.75455	0.2
123.00945	0.3
124.51672	0.2
125.02454	0.5
133.38184	0.2
143.91754	0.2
151.00331	0.2
151.04047	0.2
151.26358	0.2
159.04515	0.2
169.01491	0.3
177.01984	0.3
231.02979	0.2
257.00876	0.3
275.01968	0.5
289.07330	0.2
299.99109	0.4
300.99994	0.6
433.85477	0.2
445.69537	0.2
445.96353	0.2
549.16144	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3358
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03909	11.8
69.02387	22.3
69.02785	100.0
72.99357	13.1
80.83001	11.3
83.01145	11.6
85.95707	14.2
97.99887	11.0
161.44182	11.0
181.95886	10.8
316.21091	12.2
413.28006	13.1
453.33450	20.3
549.33191	13.7
572.50958	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	550.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
58.67515	0.6
59.01375	1.1
59.57981	0.5
61.98836	100.0
69.19030	3.1
69.19435	1.1
75.53117	0.6
79.02879	0.6
84.94370	0.6
125.69508	0.6
185.06841	0.6
211.24222	0.6
230.21721	0.7
465.40494	0.7
541.52087	0.6
551.33313	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00795	0.8
61.98835	100.0
69.77325	2.4
87.37632	0.6
116.92915	0.9
118.40196	0.7
119.75892	0.6
126.66019	0.6
487.34528	1.4
498.84613	0.7
520.65961	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00327	2.9
50.30312	2.7
51.18301	2.7
59.01374	10.6
60.86084	3.4
61.98833	100.0
71.28808	3.4
73.39522	3.2
96.96027	5.3
117.03461	4.3
119.05000	3.6
121.02963	5.6
131.62248	3.8
145.03017	31.6
205.48076	3.4
215.13580	3.5
243.19356	3.2
249.26028	3.3
251.49602	3.3
331.24890	4.2
507.31308	12.9
515.30090	4.5
550.10809	4.5
551.31616	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	550.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66352	1.3
58.95254	1.5
58.95584	1.5
59.01382	1.5
61.98834	100.0
68.59411	1.4
83.40721	1.5
104.16047	1.7
112.68546	1.7
125.46862	1.6
145.31175	1.6
222.83490	1.7
246.39587	1.7
253.73787	1.5
287.75528	1.4
312.48404	1.8
472.80487	1.7
487.34335	4.2
550.32520	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	3.0
61.98835	100.0
63.35975	1.1
69.08601	3.9
69.09019	4.8
69.42900	0.9
74.14419	1.1
79.95727	1.1
82.58499	1.0
87.53052	1.1
257.43381	1.0
356.41016	1.3
487.30771	4.2
541.27472	1.3
550.23944	1.5
550.31219	1.6
551.31616	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	550.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88874	1.0
59.01363	3.0
61.28859	1.1
61.98835	100.0
66.53778	1.0
71.30141	1.8
71.48701	0.9
96.95973	1.6
132.45381	1.2
179.13219	1.3
368.50180	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.36
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88039	0.7
61.98835	100.0
68.15813	0.6
68.72585	0.8
70.09962	0.8
70.10308	2.9
80.84171	0.8
88.90241	0.7
98.21753	0.9
112.81845	0.9
125.62696	0.8
232.89101	0.9
487.36240	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.5
65.88898	0.3
69.37394	1.1
69.37806	0.8
71.01392	0.7
78.51567	0.3
79.95748	3.2
89.02474	0.5
95.01409	0.5
96.96020	100.0
111.00893	0.6
111.95783	0.3
123.00893	1.7
124.01659	1.0
125.02474	2.1
139.00423	0.5
139.04016	0.4
151.00331	0.4
162.70331	0.3
167.03510	1.1
168.00610	0.4
169.01407	2.2
195.43970	0.3
229.01393	0.4
250.87799	0.4
275.02121	0.5
300.99887	2.4
302.00330	0.4
313.05734	0.6
378.81787	0.3
391.02945	0.8
452.03406	0.4
453.10498	4.1
551.15045	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01122	0.7
59.01384	6.3
61.98844	0.7
66.17278	0.5
67.01895	0.9
71.01390	5.6
71.29808	0.6
73.02953	1.4
79.05527	1.4
81.03454	1.8
83.01393	0.9
85.02943	3.1
87.00907	1.4
89.02448	1.0
90.55126	0.6
95.01385	2.4
97.02956	2.1
101.02436	3.0
105.03486	2.6
107.01391	8.9
109.02940	1.2
111.00868	2.5
111.17168	0.6
113.02448	2.9
113.73753	0.5
116.92858	2.0
119.05116	0.7
120.99662	1.2
121.02964	1.4
122.03738	1.3
123.00897	9.7
123.04539	21.3
124.01668	1.4
125.02456	50.2
126.02785	1.0
127.00404	0.7
136.01601	0.6
136.98753	0.7
137.02472	2.1
139.00380	3.6
139.04030	3.7
139.11293	1.2
140.01163	2.6
141.01930	1.2
149.02452	4.4
149.09735	2.1
151.00377	7.3
151.04062	0.9
153.01929	1.1
160.05383	0.7
161.02411	0.6
161.04550	0.7
163.04042	1.2
164.04836	0.9
165.01933	5.4
165.05588	0.6
166.99800	0.8
167.03535	1.5
168.00682	2.4
169.01437	67.6
170.01782	2.6
175.04022	1.2
177.05502	0.8
181.05022	1.0
183.03067	0.7
183.10292	1.1
190.02747	0.6
190.06377	1.4
191.07195	0.8
193.08705	36.3
194.09007	1.4
204.04305	1.1
205.05069	1.1
205.08739	1.0
207.02997	1.0
207.06590	0.8
210.91010	0.6
211.02502	2.0
219.06653	7.3
241.03491	1.5
243.12375	2.5
253.03532	0.7
265.06998	0.6
271.04654	0.7
285.13498	1.1
295.07977	0.7
296.90060	0.6
313.05655	31.4
314.06030	1.2
331.06854	1.4
345.15311	1.2
359.14932	4.7
389.16208	1.3
405.17667	1.7
507.15085	100.0
508.15442	8.3
523.21655	0.8
533.13019	8.3
534.12933	0.9
551.13898	15.4
551.23419	2.0
551.31281	0.9
552.14465	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.2
59.01383	5.9
59.45507	0.9
60.00286	0.8
61.66240	0.8
63.59098	0.8
64.85244	0.8
69.48965	2.0
69.49374	4.0
70.34462	0.9
71.01386	7.4
71.05036	5.1
73.02950	2.2
81.03454	5.8
83.01402	1.8
85.02950	6.0
87.00903	1.5
89.02456	1.5
93.03449	1.2
95.01396	3.0
95.05071	1.5
97.02944	1.1
99.00920	1.1
99.04527	5.4
101.02441	4.2
108.02180	60.0
109.02967	37.8
111.00920	1.5
113.02494	1.8
116.60314	1.0
121.02982	3.7
123.00900	2.4
123.04539	6.2
125.02455	11.1
135.04539	1.7
137.02469	2.1
139.04037	1.6
149.02454	1.0
151.04022	2.8
152.01164	59.2
153.01949	27.2
163.04045	1.6
165.01967	4.3
165.05576	1.8
167.03511	26.7
169.01450	6.0
171.10384	1.2
191.03415	0.9
191.07106	1.0
192.07945	3.4
197.02950	1.1
197.04514	5.5
201.11266	4.5
207.03024	1.4
207.10268	6.5
209.04555	4.6
211.02460	2.0
221.08344	1.3
239.09261	2.1
241.03679	1.0
253.10847	11.4
269.06674	6.3
271.04605	7.9
279.08734	8.1
297.06058	4.5
300.39963	0.9
301.10669	1.3
309.09799	1.9
315.07358	3.6
381.12073	1.9
421.07745	0.9
439.08484	4.0
478.17935	1.0
533.30048	2.3
551.17767	100.0
551.30078	10.5
552.18176	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	551.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.6
59.01382	14.0
68.99101	4.6
68.99523	3.4
69.03449	1.1
71.01385	11.9
71.05025	5.3
73.02946	7.1
75.00906	0.8
77.91695	0.9
81.03443	2.2
85.02944	6.3
87.00861	2.2
89.02448	5.0
93.03442	1.7
95.01389	2.9
99.00890	1.5
99.04509	2.4
101.02451	7.4
108.02179	57.8
109.02965	38.6
110.03218	0.9
113.02436	3.8
119.03502	2.4
121.02953	3.3
123.00874	2.3
123.04510	2.7
124.01656	1.7
125.02468	7.8
135.04541	1.0
136.01598	1.2
137.02412	1.8
138.05711	1.0
139.00330	1.0
139.04008	1.2
139.11278	1.5
149.02426	1.1
151.03990	3.8
152.01167	66.5
153.01962	29.5
161.04514	1.0
163.04065	2.1
165.01918	2.1
167.03500	12.6
168.00656	1.3
169.01457	4.2
177.01865	1.4
179.03459	1.1
181.05095	1.6
183.10294	3.0
191.03464	1.4
192.07909	3.4
193.08607	1.1
195.10208	2.1
197.04524	1.6
207.10239	7.1
209.04405	1.1
221.08151	1.1
225.11353	1.7
239.09229	3.6
243.12405	2.2
253.10805	9.4
269.06729	1.3
271.04608	2.8
279.08749	3.2
285.13284	1.3
297.06192	3.5
313.05725	1.5
315.07239	5.9
359.15088	1.0
367.10324	1.1
371.14966	2.9
371.23813	1.0
389.12271	1.0
439.08603	1.7
460.78714	1.2
551.17572	100.0
551.30298	20.3
552.17834	10.0
552.31042	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	551.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	0.8
57.44332	0.8
59.01377	8.0
61.98821	4.2
69.15709	6.6
71.01392	6.7
71.88694	0.7
73.02945	2.7
76.35517	0.8
81.03467	1.5
83.01389	1.4
85.02959	3.5
88.67612	1.1
89.01164	0.8
89.02437	1.6
93.03449	1.8
95.01397	1.5
95.67135	0.8
97.02985	1.4
98.21814	2.1
99.04578	0.9
101.02451	5.1
108.02181	55.2
109.02966	29.0
113.02448	3.1
119.03519	0.9
121.02929	2.2
123.00879	2.3
123.04563	1.9
125.02455	3.9
135.04538	1.9
137.02457	2.6
138.03236	21.4
139.04010	2.6
149.02455	1.8
151.04079	2.3
152.01163	63.9
153.01959	24.3
158.36636	0.9
159.03036	1.1
161.04495	1.1
162.06773	1.1
163.04073	1.7
164.04797	3.8
165.01889	1.0
165.05585	7.9
169.01398	1.0
170.02216	3.3
175.07649	2.2
177.05446	1.0
177.09200	14.1
179.03516	2.3
179.07149	5.1
180.04262	1.2
195.06659	1.4
201.11287	1.3
219.06685	1.5
220.07486	1.4
221.08234	2.1
223.06219	0.9
235.09782	3.7
238.08197	1.2
239.09251	1.6
252.10031	1.8
253.10805	13.2
267.12451	1.9
278.07916	1.3
295.11865	3.9
299.02097	5.8
314.04208	1.2
329.06616	8.6
337.12830	1.6
519.13922	1.1
551.17731	100.0
551.24255	4.1
551.30646	4.5
552.18109	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	551.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03473	0.9
59.01385	2.8
61.98821	1.2
69.21519	2.8
69.21930	1.6
71.01385	4.6
73.02948	1.1
85.02970	1.3
86.04621	0.8
87.00890	1.0
89.02464	1.6
91.01888	2.0
93.03482	1.3
101.02443	1.6
107.01422	1.2
109.02975	0.7
110.00119	0.9
111.00880	1.0
112.30511	0.7
113.02473	2.7
119.01389	7.5
119.03513	0.7
121.02951	3.1
123.00937	2.5
124.01650	1.5
125.02466	7.4
135.04515	1.4
137.02449	1.9
137.99614	1.8
139.00409	1.8
139.04030	0.8
140.01155	0.9
147.00871	6.1
148.05269	2.0
149.02460	10.4
150.03238	1.6
151.00409	1.7
151.03976	1.3
152.01106	0.8
153.01955	32.9
161.02457	2.2
162.03215	1.7
163.04028	3.4
163.07669	1.0
164.04805	10.8
165.01938	1.9
165.05487	0.9
167.03516	1.1
168.00598	1.4
168.04288	27.0
169.01379	4.2
175.00372	37.0
177.01869	1.0
179.07204	1.7
181.04982	1.2
183.06619	7.3
185.30013	0.8
189.01939	1.7
190.02730	91.4
191.03163	2.7
193.01405	0.9
205.05066	100.0
206.05368	3.6
209.04564	2.4
213.20229	1.0
223.06136	16.9
265.07034	0.8
298.50055	0.8
352.07959	0.9
367.10349	38.7
368.10568	2.1
536.15283	2.0
551.08972	2.0
551.17603	42.3
551.24597	3.3
552.17743	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	551.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	4.1
59.97146	0.7
66.72372	0.6
67.01905	0.7
69.03461	1.2
69.07978	2.8
69.08399	1.8
71.01395	6.5
72.99358	0.8
73.02963	0.8
83.01400	0.9
85.02953	1.0
86.72151	0.7
87.00860	0.7
89.02509	0.9
95.01417	1.4
96.96017	6.3
97.02984	1.2
98.95604	5.6
98.96399	0.9
99.00915	0.7
101.02476	2.5
107.01392	10.1
108.86259	0.7
109.03008	0.7
111.00893	2.5
113.02455	2.2
123.00883	8.7
123.08172	2.4
124.01724	1.8
125.02459	64.4
126.02827	1.2
134.03787	1.4
136.98859	0.7
137.02504	1.6
139.00406	3.3
139.03996	1.1
140.01175	2.4
141.01907	0.8
149.09694	0.7
151.00395	6.2
153.01920	1.3
160.01694	1.1
161.02348	1.0
165.01907	0.9
167.03514	1.5
168.00652	7.7
169.01442	91.8
170.01765	2.2
175.04016	1.5
179.03493	1.3
186.06844	0.8
193.05098	2.1
211.02495	26.2
212.02809	0.9
219.10287	2.4
238.36790	0.7
241.03467	3.4
271.04611	100.0
272.04849	3.5
313.05667	49.1
314.05890	2.6
331.06708	27.3
341.10541	0.8
354.19547	0.7
359.11435	0.8
389.16064	2.1
469.52441	0.7
477.14059	2.0
533.16400	2.8
551.17871	12.2
551.31262	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
58.34797	1.3
59.01381	20.1
61.98845	6.7
66.65662	1.5
67.01897	1.5
69.03442	2.3
69.24720	7.3
69.25143	2.4
71.01391	14.5
72.99297	2.4
73.02950	4.0
79.01903	3.5
81.03487	1.8
83.01402	1.8
85.02966	4.9
89.02464	9.9
89.57529	1.5
93.03429	1.4
95.01402	3.3
96.96036	3.1
97.02950	3.4
101.02438	8.8
107.01422	7.9
108.02202	2.3
109.02976	3.3
109.28907	1.6
111.00909	5.2
113.02469	4.8
119.03522	6.4
119.05113	1.4
120.37516	1.3
121.02966	74.7
123.00898	22.4
123.04510	3.7
124.01670	3.1
125.01534	2.5
125.02458	45.4
127.00391	1.8
134.73494	1.3
135.04594	2.1
136.98798	2.8
137.02446	5.2
139.00400	9.5
139.04083	6.6
140.01192	5.5
141.01991	3.1
145.02975	2.6
148.05310	1.7
151.00377	14.8
151.04080	1.8
153.01985	3.4
161.04575	3.4
162.03229	2.1
163.04042	2.4
163.11330	1.8
166.02725	2.6
167.03499	4.7
168.00638	7.2
169.01440	50.6
169.05031	5.3
175.11328	2.0
177.01950	2.8
177.05630	3.7
179.05598	1.6
181.05104	4.3
191.07170	1.3
192.27025	1.5
193.12323	7.6
211.02531	10.2
221.06734	2.1
243.06682	8.3
263.07971	1.3
271.01932	1.7
271.04559	8.2
297.06256	1.8
307.08310	3.4
313.05750	5.5
323.09851	6.1
343.04614	4.2
389.16223	6.0
389.25116	2.2
551.17651	100.0
551.25128	38.7
552.18170	11.0
552.25507	3.7
578.55762	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	14.5
63.45266	4.4
71.01384	12.3
79.01952	4.4
82.95424	98.7
83.01354	5.5
85.02956	6.3
89.02444	6.3
93.03448	5.3
95.01395	7.0
96.96026	17.2
101.02454	14.9
107.01361	5.5
109.02938	9.4
111.00890	6.2
113.02474	5.9
117.05582	6.6
121.02963	14.4
123.00906	15.1
123.04528	5.7
124.01698	5.6
125.02465	70.4
133.02957	9.4
134.03746	47.0
136.01634	4.9
137.02417	16.6
138.03307	4.7
139.04004	8.9
145.02916	5.7
147.04520	10.1
149.02489	19.1
149.06107	19.8
150.03249	88.7
151.00461	6.5
151.03970	16.0
160.01672	16.4
165.05591	94.5
167.03519	13.1
169.01401	29.2
175.04063	25.0
176.04762	16.2
177.01869	5.6
178.02707	29.4
191.07118	19.5
193.05084	100.0
195.06642	67.5
203.07182	6.7
205.05034	7.1
217.05203	7.6
219.94794	5.1
220.03693	5.6
222.05309	12.7
235.06131	40.3
237.07631	13.6
240.58195	5.1
245.08195	8.5
247.05888	5.3
256.03796	5.4
265.07083	21.1
271.06296	12.0
271.09570	7.6
289.07175	40.6
295.08145	8.9
301.00085	8.1
313.05704	10.5
341.10248	15.0
359.11322	16.1
374.13840	8.7
389.11777	10.0
389.16464	44.8
407.96658	4.8
415.92123	4.9
431.13620	12.7
434.85690	5.8
551.14136	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	551.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.0
58.00586	2.1
59.01385	100.0
67.15549	1.5
69.03453	7.9
69.62363	1.7
71.01390	62.5
72.99310	7.4
73.02949	21.7
81.03469	5.2
82.68031	1.6
82.95438	2.8
83.01406	7.7
85.02959	22.5
87.00896	2.4
87.59655	1.9
89.02451	29.5
95.01411	5.3
96.96026	4.0
97.02965	13.3
98.22656	2.5
99.00847	4.0
101.01811	3.7
101.02458	48.8
103.04024	40.6
107.01404	2.5
109.02962	2.9
110.00111	2.1
113.02470	2.7
114.64458	1.7
115.04024	3.0
119.03512	20.6
123.00914	6.2
125.02464	55.3
125.03352	3.8
127.04047	4.3
133.02898	1.7
136.99219	1.9
137.02449	2.3
139.00375	1.7
139.04045	2.3
143.03516	6.2
145.05086	7.8
149.02493	1.9
153.01949	37.7
163.06146	38.8
165.02083	2.2
165.05443	1.9
167.03532	1.9
168.04337	22.5
169.01439	8.9
175.04051	2.1
177.01964	2.3
183.06631	7.4
183.10292	10.2
192.99849	2.3
201.02074	2.2
203.03517	3.1
205.07066	2.3
247.08215	14.8
256.03775	2.0
256.48184	1.8
275.01974	5.2
300.99954	11.7
307.10416	28.3
313.21359	1.8
359.11365	6.3
374.13809	4.0
389.11993	1.9
389.16205	13.7
391.03220	2.3
426.10855	2.0
489.06525	2.6
505.00214	2.3
532.99188	2.6
551.14716	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	8.9
57.21631	1.8
59.01383	39.6
61.98819	4.8
63.63707	1.6
66.79266	1.5
69.03475	2.1
71.01387	21.2
71.19334	1.5
73.02935	5.4
79.05534	2.4
80.42274	1.5
82.37974	1.4
83.01389	6.7
83.05001	3.1
84.38152	1.7
85.02954	11.2
87.00871	11.9
88.98824	2.1
89.02445	3.6
93.03499	1.9
95.01371	4.8
97.06573	4.6
101.02454	13.2
107.05049	12.3
108.02171	2.6
109.02950	4.9
109.15067	1.5
113.02451	9.8
119.03590	1.6
120.05765	3.1
121.02926	2.7
123.00900	19.3
123.04531	5.8
124.01673	100.0
125.02487	13.1
125.06140	1.7
131.83861	1.7
135.04526	5.5
137.02435	7.6
138.03258	7.9
139.00429	2.7
139.04022	67.3
139.11305	2.0
143.08611	2.0
147.08200	2.0
149.02464	3.3
150.03188	1.7
152.04837	2.9
153.01944	3.1
161.02451	1.8
161.04604	10.5
161.05687	1.7
161.09740	21.4
161.13371	14.7
163.03963	4.0
163.11302	5.1
164.04807	3.5
165.05582	12.9
167.03499	2.6
169.01450	10.6
179.10738	2.9
181.05118	2.6
186.01877	1.9
187.11290	38.4
189.09183	24.3
203.10689	3.4
205.12364	21.9
207.10236	11.2
209.08269	3.6
223.06100	2.6
223.13466	2.3
231.10315	2.4
249.11319	17.2
261.07672	1.7
267.08603	1.8
267.12305	6.6
267.16000	3.6
272.52975	1.7
283.08255	6.6
301.09329	4.1
344.64645	1.8
389.25296	3.1
551.21362	79.7
551.30640	8.6
552.21277	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	551.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52165	1.3
55.01875	2.0
57.03443	1.6
58.00564	1.8
59.01384	24.8
61.98846	2.3
63.93695	1.3
71.01390	14.7
71.29372	1.9
71.29831	1.7
72.99296	3.2
73.02943	5.7
75.95128	1.4
83.01394	3.0
85.02956	6.7
87.00900	3.1
89.02438	7.1
95.01408	2.9
99.00946	1.9
101.02458	11.8
108.02178	2.7
109.02951	2.3
111.00895	2.7
113.02460	5.1
119.03503	1.4
120.99755	1.6
121.02953	1.6
123.04501	1.4
125.02468	6.5
132.02161	1.8
135.04555	4.0
137.02481	4.3
142.70836	1.4
150.03372	1.4
151.00330	1.8
151.03999	1.7
152.01180	2.5
153.01901	2.2
159.04492	2.4
160.01740	4.0
161.02477	3.0
165.05652	1.6
167.03485	2.2
167.99182	1.4
169.01448	4.3
180.04243	2.3
195.06613	2.6
271.09784	2.0
279.06528	1.4
281.04300	1.7
296.06973	3.3
297.07730	1.7
299.09277	3.6
300.09723	1.9
311.09418	9.7
312.09814	1.8
313.10825	5.1
314.07990	2.2
325.10770	3.1
329.10379	4.1
341.10287	6.7
342.11215	3.6
343.08130	3.2
343.11795	3.9
344.08853	2.7
344.12653	3.3
345.13394	5.9
356.12668	3.2
357.13745	3.2
359.14963	4.8
363.27243	1.5
371.14999	7.1
385.14600	2.2
440.47729	1.6
475.15741	1.9
488.12717	1.8
491.15619	7.6
503.15689	16.4
506.17929	7.2
518.17877	14.5
521.12158	2.3
521.20300	94.1
522.20642	8.2
533.20276	100.0
534.21039	9.4
551.17743	5.8
551.30957	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	551.214
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73748	2.2
55.01890	3.1
57.03439	6.9
59.01386	50.0
61.98827	8.4
67.01877	3.8
69.12095	12.5
71.01386	25.5
73.02950	7.7
75.57715	1.8
83.01390	5.3
83.05032	4.9
85.02945	10.8
86.02718	2.4
87.00887	11.5
89.02444	8.6
92.59690	2.3
93.03487	2.8
94.49327	2.0
95.01387	6.3
101.02447	11.9
107.01442	2.3
107.05047	11.0
108.02188	3.2
109.02890	2.3
111.00888	3.1
113.02478	11.1
119.03560	2.5
120.05839	4.6
121.02952	6.6
121.65279	2.1
123.00894	55.3
123.04534	3.0
124.01678	100.0
125.02496	16.8
135.04572	4.7
137.02434	7.5
138.03262	13.3
139.00406	3.5
139.04030	75.5
140.01068	2.5
140.04453	2.7
140.44690	2.7
141.76915	2.2
149.02440	6.1
149.06041	2.4
151.04048	4.3
153.01974	4.0
157.06511	2.5
161.02440	2.6
161.04597	10.7
161.09752	16.7
161.13338	12.6
163.03897	2.4
163.11301	3.4
163.42114	2.1
164.04805	11.8
169.01465	5.9
177.05522	3.4
178.02681	5.1
179.03540	6.6
179.07112	4.7
179.10814	3.0
180.04077	2.5
185.11742	2.4
187.11299	30.6
189.09186	22.6
193.05139	3.5
194.05940	2.7
195.06514	2.4
203.10771	3.2
205.12364	21.6
206.97133	2.6
207.10338	12.2
218.05908	3.2
223.13361	4.4
227.30661	2.5
231.10234	2.8
233.08205	9.4
236.20222	2.3
236.75323	2.5
249.11353	12.5
261.07648	11.4
267.08804	2.6
267.12354	5.5
272.49380	2.2
283.08289	5.7
301.09335	7.4
349.16119	2.5
371.24344	6.7
389.16095	9.6
389.25363	6.0
449.31369	2.2
551.21454	95.9
551.30817	36.6
552.21643	10.2
552.30634	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	551.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96693	0.4
57.03442	0.6
57.63448	0.4
59.01381	8.1
61.98829	2.1
63.68775	0.4
66.75554	0.4
67.01904	0.8
67.42477	0.4
67.55537	0.4
69.41054	0.4
69.60618	2.0
71.01388	3.9
73.02931	0.5
79.01894	0.8
79.95757	0.5
80.87053	0.5
81.03465	0.7
83.01391	1.4
83.82172	0.5
85.02966	1.9
87.04549	0.6
89.02459	1.8
95.01383	2.3
97.02964	1.1
98.22577	0.5
99.00813	0.5
101.02449	2.2
107.01398	5.7
108.02226	0.5
111.00867	2.4
111.04512	0.5
113.02485	1.3
113.09769	0.6
123.00896	16.2
124.01691	0.8
125.02455	24.6
126.02760	0.6
127.00384	0.7
135.04564	0.5
136.98828	1.9
137.02451	1.7
139.00389	5.6
140.01154	4.1
141.01964	2.0
149.02524	0.6
151.00375	9.8
151.03989	0.5
151.07652	3.2
153.01971	0.9
161.02397	0.5
168.00671	4.0
169.01437	26.7
170.01765	1.0
177.09340	0.9
179.03564	0.9
179.07104	0.6
181.08710	2.4
195.06636	19.0
196.07011	0.7
205.05199	0.6
207.06750	1.6
211.02516	5.8
239.70459	0.5
271.04556	5.4
313.05753	1.8
357.12067	1.6
483.18842	0.6
551.25146	100.0
552.25439	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	551.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70771	9.1
57.79778	8.3
61.98835	48.3
69.10892	66.8
90.36617	9.0
118.64308	10.7
126.84482	9.1
170.60896	8.6
212.06694	10.9
279.23306	9.1
469.33203	100.0
551.33514	59.8
568.59290	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	551.3356
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98270	0.8
59.01378	1.2
60.02565	0.9
61.98843	7.9
65.21341	0.9
69.26508	5.2
82.69811	0.9
96.96039	2.1
98.21759	1.9
98.69298	0.9
116.55463	0.9
118.12680	0.8
125.09688	1.0
137.21036	1.0
196.62128	0.9
209.90846	0.9
341.24908	0.8
350.74908	0.9
448.18521	0.9
457.33258	2.8
469.33255	100.0
470.33704	11.2
540.40790	1.0
551.33685	61.7
552.34106	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	551.3356
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	8.4
91.92973	1.3
96.52597	1.3
98.21806	3.0
114.19857	1.2
131.04118	1.2
141.09720	1.3
254.48300	1.4
304.31894	1.4
304.54227	1.3
374.24640	1.4
407.33151	2.0
423.32657	2.5
469.33267	100.0
470.33630	12.4
491.31171	2.2
551.33655	43.8
552.34247	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3356
Annotation	Unknow
Peak:m/z	Relative Intensity
58.13646	2.5
59.01371	6.9
61.98837	15.9
65.40204	2.5
71.28278	3.5
83.89206	2.1
96.96030	10.9
99.92576	2.6
121.07607	2.5
152.99620	3.4
214.72081	2.6
223.80190	2.7
469.33240	100.0
470.33981	8.7
471.35516	3.0
506.63965	2.5
521.32910	8.6
551.33813	84.7
552.34143	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	551.3357
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	1.2
71.08484	1.2
77.03796	0.8
79.52100	0.9
88.57431	0.7
136.14554	0.8
179.58760	0.9
236.85030	0.8
425.34402	1.7
469.33264	100.0
470.33490	10.6
551.33643	42.8
552.33868	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	551.3359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12848	0.6
54.05072	0.6
57.03345	0.8
59.01268	0.8
61.98678	3.3
61.99044	1.9
67.04085	0.7
69.03857	1.9
69.04275	4.6
78.95798	1.6
78.96175	0.8
95.01259	1.7
96.95831	7.0
152.99429	1.4
227.03514	0.7
306.65903	0.6
393.27924	1.3
405.31454	1.0
407.29092	1.4
409.30881	2.2
423.32724	40.6
424.33072	3.1
425.34241	9.2
469.33267	100.0
470.33594	9.5
505.04504	0.8
505.29477	0.9
551.33636	46.2
552.33716	4.8
572.80371	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.0636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30522	0.4
54.10307	0.4
59.01383	1.6
61.98832	100.0
69.42096	2.6
71.01388	1.8
73.02979	0.5
82.08994	0.5
83.01406	0.7
85.02953	0.8
89.02474	0.4
93.64268	0.4
96.96169	0.5
98.21803	0.9
101.02451	1.1
113.02450	0.9
116.92906	0.8
125.02490	0.5
131.18463	0.5
138.03221	0.7
145.03090	0.5
151.04128	0.6
165.05576	0.5
169.01506	1.0
181.05067	1.7
182.05940	0.6
185.66182	0.4
195.06642	0.8
196.07373	2.2
197.08255	1.4
211.09773	3.2
358.12744	0.6
373.15063	13.0
523.18634	0.6
552.14612	1.2
553.23029	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	552.1366
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77774	0.8
57.83427	0.9
58.60232	0.9
59.01366	1.9
61.98835	100.0
69.06528	7.6
73.04582	1.0
129.64648	1.2
213.83846	1.2
223.61923	0.9
282.47757	1.0
418.10110	0.9
420.30746	1.0
501.31854	1.1
552.24829	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66458	0.3
55.16289	0.4
56.78128	0.4
59.01384	1.8
61.98833	100.0
63.60206	0.3
71.01383	0.4
71.27724	0.5
75.56512	0.4
76.72851	0.3
108.02221	0.4
117.65539	0.3
125.02479	1.2
133.16322	0.3
139.00482	0.4
164.04840	0.3
169.01508	0.7
179.07248	0.6
202.41032	0.4
250.55853	0.4
387.58081	0.4
449.14136	0.4
491.37637	0.6
551.32806	0.4
552.25262	1.8
553.21472	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65853	1.7
59.01385	13.0
61.98831	13.4
69.98170	2.8
69.98543	5.1
70.16164	1.5
71.01387	13.0
73.02937	5.5
83.01392	2.9
85.02963	6.0
87.04522	100.0
88.96293	1.6
89.02449	4.8
92.23901	1.3
93.53215	1.5
99.00858	2.2
100.40197	1.5
101.02451	7.2
108.02242	1.8
113.02455	3.1
123.04482	1.9
125.02477	6.5
135.04526	1.5
137.02461	4.5
139.00354	4.5
153.05556	2.1
158.14868	1.8
161.04530	2.5
164.04790	1.8
165.05605	2.2
169.01439	4.5
179.03473	1.9
195.16466	1.7
209.04723	1.6
211.02530	2.0
223.09784	3.9
237.11304	3.3
238.11681	4.1
377.21774	13.3
390.16443	2.8
421.20718	8.3
422.09421	1.7
509.26056	47.7
510.26498	2.7
552.25323	10.0
553.23761	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	553.084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52499	2.9
59.01377	4.8
61.46487	2.8
63.43060	3.0
71.01380	8.1
72.90577	2.6
83.13080	2.7
87.00902	3.7
88.98829	5.1
101.02412	5.2
108.02164	4.1
109.02967	4.1
113.02470	4.1
120.99613	4.0
121.02992	3.3
122.03709	4.9
123.00893	5.8
123.04481	4.1
124.01664	4.6
125.02457	18.5
135.04507	5.7
137.02446	12.6
139.00385	5.5
143.89583	2.7
151.00404	8.2
151.04002	5.3
151.83090	2.8
152.01224	4.0
153.01965	7.5
159.65364	3.0
161.02553	3.3
161.06117	3.7
165.01990	3.8
166.02745	4.7
166.06493	3.1
167.03519	4.3
167.07040	3.8
169.01410	13.6
178.99883	5.1
180.07884	8.8
183.03075	3.9
193.05032	6.2
195.06665	5.2
204.56525	2.7
211.02321	3.3
211.06047	3.8
229.15125	3.1
236.40431	3.0
259.02719	4.3
270.01672	6.0
271.02399	26.1
271.04453	2.5
287.01965	14.1
314.06131	4.2
315.98749	5.7
316.02243	72.5
317.02914	15.5
328.09390	3.8
341.08832	3.0
358.14227	4.1
361.16632	5.9
371.68304	3.2
385.34067	3.1
391.17874	38.9
463.08920	100.0
509.13010	7.5
553.14453	15.2
553.22491	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.9
59.01380	14.3
69.60729	4.8
71.01387	100.0
72.99312	29.3
87.00883	34.3
89.02448	6.7
107.36909	1.3
113.02531	1.7
115.00382	28.3
119.03515	3.6
119.09962	1.4
124.51283	1.3
129.01939	6.4
133.01440	2.8
141.95012	1.6
147.03011	67.2
148.03328	1.7
177.01915	4.6
179.05595	3.1
192.04338	3.5
256.20026	1.4
259.83347	1.5
271.01782	1.5
323.23965	1.8
387.13043	3.2
393.10321	1.5
501.63641	1.8
553.16418	1.5
558.58350	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30899	0.5
57.03459	3.3
59.01379	6.4
61.98821	1.2
67.01905	0.9
69.03443	1.2
69.13451	4.4
71.01383	7.7
79.01940	0.6
83.01390	1.0
85.02960	1.7
87.00888	0.9
89.02451	2.6
95.01382	1.7
96.96011	0.6
97.02968	1.0
101.02465	3.2
107.01399	9.8
109.03008	0.7
111.00876	1.4
113.02478	3.4
119.03531	0.6
121.02971	1.2
123.00898	9.3
124.01691	1.4
125.02457	68.9
126.02776	1.5
127.00341	0.6
135.04524	1.7
136.98828	1.0
137.02441	1.3
139.00398	3.0
139.04019	0.7
140.01175	2.5
141.01953	1.5
149.02490	0.7
151.00365	6.2
151.04048	1.1
153.01912	1.4
161.02412	0.6
165.02002	0.8
166.06361	9.9
167.03467	0.7
168.00670	4.4
169.01437	100.0
170.01796	1.9
177.01878	0.6
179.00465	0.5
179.03476	0.7
181.08707	11.3
184.25650	0.6
193.01546	0.7
195.13951	0.8
211.00851	0.5
211.02492	10.6
213.05620	0.5
223.02385	0.8
241.03555	5.3
253.03523	0.7
255.06578	2.1
271.04614	38.8
272.05045	1.4
300.99997	0.7
313.05667	70.6
314.06027	1.9
331.03009	1.0
331.06744	13.2
343.11664	0.7
349.03677	0.6
358.14395	0.5
373.16449	1.5
391.12234	1.2
391.17621	2.5
404.31180	0.6
454.93982	0.6
474.43335	0.6
479.15326	0.6
493.17078	0.8
521.16559	0.8
553.19275	53.3
554.19611	4.7
575.70746	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.7
59.01376	6.0
67.01875	1.6
71.01387	4.7
72.99297	1.8
79.01895	1.4
79.95742	1.1
83.01390	2.1
84.95146	2.9
85.02953	1.9
87.00859	1.9
89.02458	2.0
95.01405	3.0
96.96042	3.0
97.02966	1.2
101.02460	2.5
107.01392	6.4
108.02189	1.5
109.02966	2.1
111.00893	3.2
113.02469	2.1
117.97343	1.6
121.02957	1.3
122.03745	2.0
123.00906	15.9
123.04552	2.6
124.01720	1.5
125.02457	29.3
126.02825	1.1
136.99034	1.8
137.02475	2.9
139.00363	5.8
139.04013	1.8
139.07724	1.6
140.01158	4.0
141.02058	1.1
141.59953	1.0
149.02467	2.8
150.03268	3.2
151.00395	8.3
151.04053	3.5
152.01096	2.4
153.01955	1.7
164.04878	1.6
165.01929	1.4
165.05573	2.4
166.02808	1.5
167.03490	6.1
168.00681	6.8
169.01431	32.8
177.01991	1.7
179.03436	1.5
179.07120	1.7
181.05029	2.4
194.92931	1.3
195.06615	1.4
211.02477	11.9
217.70778	1.1
239.09314	2.0
270.98956	2.4
271.04599	13.4
298.98459	2.2
299.99216	2.1
300.99832	1.3
311.07678	2.5
311.38226	1.0
313.05753	3.1
331.06781	1.5
381.96210	1.1
391.13492	1.3
491.15668	3.5
509.16495	2.5
523.18469	4.2
553.19446	100.0
554.19855	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2141
Annotation	N-Methylheteropsine
Peak:m/z	Relative Intensity
55.98494	0.9
57.03440	1.8
59.01382	44.4
61.98859	1.3
61.99943	0.9
67.53046	1.1
71.01392	5.7
71.23032	1.9
72.99264	1.1
73.02949	19.5
74.99109	1.4
75.00877	1.0
76.16133	1.0
80.32787	0.9
80.89807	0.8
83.01373	1.2
83.43349	0.9
85.02958	4.1
87.00897	4.9
87.04472	1.0
88.98813	2.7
89.02433	4.8
95.01398	1.5
96.85707	0.9
99.00884	6.2
101.02441	4.5
107.01357	1.1
108.02153	1.1
113.02458	2.2
116.36535	0.9
117.01951	1.6
117.97302	1.7
119.01741	1.7
119.03541	1.5
123.00913	1.9
123.04527	1.0
125.02432	3.7
128.14851	1.1
139.11295	22.3
152.01184	1.2
155.10712	1.0
156.92708	0.9
161.04518	1.0
165.04057	1.9
165.05540	1.6
167.03453	1.5
168.00764	0.9
169.01456	4.1
179.05676	1.1
181.12367	13.2
183.10263	28.7
184.10706	1.4
199.13429	6.4
225.11345	19.3
239.09422	1.3
241.31885	0.9
243.12370	63.8
244.12895	1.1
257.14084	2.3
267.12134	1.0
285.13422	22.8
286.13672	1.6
315.14542	3.2
345.15558	19.7
346.16199	1.8
405.17728	13.3
461.34253	1.0
520.87183	1.2
535.20502	5.9
553.21631	100.0
554.22040	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74809	0.6
53.46845	0.7
59.01389	1.0
67.01902	0.9
69.14063	4.7
70.83594	0.6
71.01396	1.4
85.02953	0.8
95.01421	0.9
101.02446	1.2
105.86893	0.7
107.13348	0.6
109.02966	3.0
111.04517	0.7
113.02547	0.7
120.99641	0.8
121.02988	1.9
122.03738	1.8
123.00891	1.5
123.04523	2.3
124.01698	2.1
125.02480	6.4
135.04538	6.5
137.02455	10.2
137.06038	0.7
138.03261	4.0
139.00436	1.6
139.04060	3.1
141.12195	0.7
147.04535	1.5
149.06122	1.6
150.03250	0.7
151.00348	0.9
151.04044	4.2
152.04865	3.8
153.05542	0.6
161.02472	1.8
161.06114	3.0
163.04030	2.7
164.04782	1.0
165.05574	6.4
167.03568	0.8
167.07126	1.2
169.01462	4.0
176.04782	0.8
177.05589	2.0
179.03581	1.4
179.07141	4.2
180.04324	2.5
180.07925	11.1
181.05093	5.9
182.05887	0.9
184.03798	1.5
190.06308	1.2
191.07130	1.6
192.07947	2.8
193.08711	1.4
194.05824	3.9
194.09526	1.4
195.06660	9.3
203.03799	0.8
207.06606	1.3
207.10284	0.9
209.08185	2.4
211.06107	1.0
212.06929	2.4
223.09810	0.9
226.08513	1.8
239.09190	1.0
247.02364	1.4
269.04639	0.7
311.09332	0.8
328.09470	2.1
331.11844	3.2
337.34116	0.7
343.11948	1.8
345.13507	1.5
346.14532	1.7
358.14386	2.8
361.12915	6.1
361.16730	4.2
373.16608	3.1
376.15237	9.8
387.09424	1.8
391.17712	100.0
392.18063	6.7
436.18341	0.7
527.77039	0.7
553.19867	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01789	1.7
57.03381	1.2
58.00535	0.9
59.01291	11.9
59.01624	2.5
61.98735	27.7
61.99097	4.8
71.01286	12.4
71.01722	1.6
72.62560	0.4
72.99233	1.0
73.02845	4.8
79.81203	0.4
83.01282	3.9
84.01215	0.5
85.02848	7.3
85.03421	1.1
85.99998	0.6
87.00771	1.7
89.02339	3.2
95.01281	1.6
95.01863	0.5
99.00777	2.1
99.92501	0.6
101.02454	14.6
101.03036	1.0
109.02880	0.6
111.00784	1.0
113.02462	4.4
116.92870	7.8
119.03454	0.8
121.02864	0.7
123.04427	1.2
125.02295	1.8
129.01848	0.7
135.04390	0.7
137.02324	2.0
138.03242	3.1
146.03668	0.7
150.03107	0.8
151.00319	0.6
151.03885	1.8
152.04689	0.9
153.05457	2.1
161.04449	0.8
162.03131	0.5
163.03894	1.9
164.04671	1.6
165.05524	1.2
167.03404	0.8
169.01398	0.9
170.02051	0.5
178.06335	1.0
179.07016	1.9
179.50525	0.5
181.05080	12.6
182.05846	4.9
183.06502	0.6
193.28493	0.5
195.29877	0.5
195.51445	0.6
196.07413	16.6
197.08211	10.6
198.08577	0.5
211.09775	27.2
212.10071	0.7
225.07716	0.6
243.06612	1.1
255.06451	0.9
255.63966	0.5
281.10248	0.5
358.12726	3.7
373.15042	100.0
374.15454	5.2
391.11469	0.6
508.18942	0.6
523.19971	2.9
553.23077	18.6
554.23407	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01803	1.9
55.02030	0.6
56.99430	0.7
57.03376	1.4
58.00520	1.0
59.01285	14.1
59.01620	3.5
59.33801	0.7
69.34414	1.7
69.34837	2.7
69.95272	0.8
71.01276	14.6
71.01698	2.1
72.99234	1.1
73.02844	7.5
73.03275	1.3
81.03337	1.1
83.01281	5.6
85.02842	9.3
86.00028	1.9
87.00789	1.3
89.02339	3.6
91.24116	0.8
95.01323	1.7
99.00761	2.5
101.02338	19.5
101.03044	1.5
109.02861	1.7
111.00784	1.5
113.02339	6.7
119.03458	1.3
121.02976	4.5
121.55732	0.7
122.97895	0.7
123.00771	1.1
123.04539	5.7
124.16338	0.7
125.02315	2.5
135.04419	2.1
137.02391	1.0
139.03949	0.8
151.03891	1.3
153.01866	1.4
161.04459	1.8
166.06366	33.2
167.03517	11.0
167.06900	3.1
169.01318	2.6
179.03336	3.1
181.05078	1.7
181.08722	41.3
182.08969	1.2
191.03436	2.5
194.05702	3.2
195.06622	1.2
197.04453	2.1
209.04369	0.8
209.08151	6.5
211.09717	1.5
312.51184	0.7
343.13998	100.0
344.14435	4.3
354.44928	0.7
357.15253	1.2
394.79382	0.7
553.23206	35.2
554.23846	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	553.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.6
59.01379	6.9
61.98830	4.0
69.10033	3.7
69.10432	0.8
71.01378	7.5
72.99334	0.6
73.02935	1.9
75.00842	0.5
78.66562	0.6
83.01382	1.4
85.02954	2.9
87.00877	0.6
88.87318	0.5
89.02451	3.1
93.03442	1.6
95.01372	1.2
99.00837	0.6
101.02451	6.3
107.01462	0.6
107.04993	0.7
108.02182	1.0
109.02979	2.1
111.00903	0.7
113.02470	2.7
119.03490	1.0
119.13480	0.6
120.99673	0.7
121.02975	4.4
123.00848	0.7
125.02464	1.0
135.03499	1.1
135.04524	17.7
136.04910	0.7
137.02478	4.2
139.04031	1.2
146.03741	0.9
147.04535	1.5
148.05312	1.0
149.02449	43.7
150.02922	0.9
151.03972	0.7
152.01137	0.8
153.01968	3.2
161.04602	1.1
161.06035	1.0
163.04004	2.3
163.07692	1.3
164.04797	100.0
165.01923	4.7
165.05179	3.5
169.01457	1.3
179.07143	62.4
180.07480	2.0
181.05031	1.8
183.69276	0.6
195.02969	1.3
196.07349	3.5
207.06644	3.5
211.09799	6.1
213.81581	0.6
225.07559	1.3
247.45161	0.6
373.15027	24.3
373.25909	1.5
374.15451	1.7
391.27075	1.6
400.68741	0.6
517.96179	0.6
535.21783	17.6
536.22089	1.7
553.22974	11.3
553.32324	6.2
554.23096	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.0
59.01381	7.7
61.98814	2.3
69.32615	1.1
69.33014	3.7
71.01388	6.7
73.02942	2.6
83.01383	1.2
85.02956	3.3
89.02460	3.0
93.03484	1.6
95.01373	0.9
101.02448	6.0
107.05063	1.0
109.02968	2.0
113.02475	2.5
119.03470	0.7
121.02962	5.5
123.00874	0.8
125.02422	1.5
135.04529	16.2
137.02473	3.6
137.06046	1.0
139.04019	1.7
146.03769	1.4
147.04539	1.8
148.05264	1.1
149.02451	48.1
150.02794	1.2
153.01881	3.4
153.91246	0.6
161.04684	0.9
161.06091	1.6
163.04022	2.3
163.07603	1.4
164.04802	100.0
165.01982	3.6
165.05148	3.8
178.06451	0.9
179.07144	68.0
180.07501	2.9
181.05084	2.3
196.07411	3.8
207.06630	1.9
211.09746	6.7
225.07553	0.7
373.15085	24.4
373.25909	1.1
374.15424	2.0
391.27090	1.3
535.21875	21.1
536.22418	2.4
553.23145	8.5
553.32330	5.7
554.23047	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31236	1.0
55.01901	1.1
58.00600	1.5
59.01097	1.8
59.01385	28.8
61.98824	3.2
69.06113	9.8
69.06471	1.7
71.01389	18.4
72.99310	1.7
73.02966	1.3
75.00861	1.0
83.01366	1.5
85.02940	3.4
87.00896	1.4
87.04543	1.5
89.02456	19.0
92.13601	1.1
95.01392	1.9
100.24286	1.1
101.02463	10.8
107.01427	2.2
111.00875	2.7
113.02472	7.0
119.03516	7.8
121.02936	1.2
123.00884	3.4
124.01653	3.1
125.02449	25.4
127.00367	1.5
135.04561	10.1
137.02423	2.1
139.00401	2.6
140.01181	2.9
143.03505	1.9
150.03226	3.5
151.00397	1.4
152.70506	1.3
153.02031	1.3
158.76863	1.2
161.04549	1.9
163.04030	18.8
164.04808	19.8
165.01967	1.8
165.05547	4.3
167.03494	3.4
168.00676	13.2
169.00197	2.1
169.01436	34.3
178.06323	10.0
179.05611	4.8
179.07130	20.4
180.91962	1.2
181.05095	1.5
182.05873	1.6
184.02534	3.7
187.69772	1.4
195.06717	1.7
197.08234	6.2
199.92091	1.0
211.02490	58.7
212.02844	1.7
221.15460	2.3
238.09222	1.2
271.04605	57.0
272.04910	2.3
296.41257	1.2
331.06671	4.3
373.16507	4.0
391.17426	1.1
401.21805	1.5
553.22906	100.0
554.23236	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	553.2298
Annotation	TMC 2B
Peak:m/z	Relative Intensity
52.88470	1.1
55.01873	1.8
57.03439	2.0
57.58219	1.1
58.00593	1.1
59.01384	28.5
61.98831	5.4
67.05651	1.1
71.01387	20.9
71.13665	1.1
71.29353	2.1
72.99289	1.7
73.02957	4.7
74.99092	1.8
75.40757	1.2
80.96095	1.1
83.01391	3.9
85.02952	8.9
87.00893	5.5
88.98808	8.0
89.02455	11.3
93.03461	14.5
95.01417	3.6
99.00915	2.3
101.02442	16.0
107.01469	1.3
108.02229	2.0
109.02942	1.7
111.00955	1.6
113.02467	5.5
119.03526	4.2
120.99674	2.6
121.02959	3.2
123.00877	10.5
123.04573	1.8
124.01661	2.1
125.02431	5.9
127.31164	1.1
135.04561	3.3
136.99094	1.5
137.02466	10.9
138.03259	20.8
139.00391	1.2
139.04068	1.3
139.11324	4.1
148.05284	1.3
149.02412	2.6
149.06111	4.2
151.00446	2.7
151.04034	3.9
152.01151	3.0
152.04825	4.2
153.05579	15.0
161.02455	4.1
161.04593	4.6
161.06087	3.8
163.04099	1.2
164.03554	1.6
164.04842	3.4
165.01945	7.4
166.02748	5.0
167.03471	2.5
169.01434	4.3
170.11345	1.2
179.05582	1.3
179.07176	3.5
180.07990	4.3
181.05078	11.9
181.08745	1.3
181.12323	1.6
183.10246	2.8
193.05061	1.4
193.08766	2.6
194.05865	1.7
195.06709	1.5
197.04573	4.1
209.67220	1.5
221.08453	1.4
225.11288	2.1
226.08456	2.0
236.71950	1.2
243.12329	1.8
269.10297	2.0
271.04630	1.6
297.97665	1.3
327.12735	1.7
348.00711	1.1
358.14456	1.6
361.16708	6.5
373.16736	1.4
391.17947	2.3
491.08286	1.7
493.23117	5.5
508.19815	2.4
523.21783	10.8
535.22003	13.0
553.23181	100.0
554.23602	10.8
576.87854	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98815	0.7
69.66470	3.5
80.13370	0.6
97.71589	0.6
107.05015	1.2
121.02987	4.7
123.00884	1.4
124.01672	0.8
126.68798	0.9
135.04536	18.2
136.01677	4.2
137.02454	1.0
149.02457	44.3
150.02835	1.5
151.00375	1.8
151.04024	5.9
164.04807	100.0
165.05205	2.9
166.02715	3.1
167.03577	1.1
167.80385	0.6
171.58675	0.8
178.19861	0.8
179.07149	72.4
180.07507	2.9
181.05086	6.7
181.08661	0.8
191.07187	0.8
317.49622	0.7
317.53192	0.8
325.10541	1.0
358.14349	1.9
359.14975	1.2
371.13599	0.8
373.16586	18.5
374.16904	1.8
535.08545	0.8
553.24255	5.0
553.32629	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13671	0.6
55.01874	0.7
57.03439	2.4
58.00588	1.1
59.01385	24.5
60.99325	0.7
69.05498	4.4
69.05905	1.3
71.01385	11.7
72.99305	0.6
73.02959	4.3
74.99085	0.7
83.01392	0.9
85.02967	4.9
87.00887	3.2
87.04516	2.4
88.98800	3.6
89.02454	6.9
97.06587	0.7
98.21687	1.3
101.02443	7.1
107.01417	2.4
109.03029	0.7
113.02439	2.5
115.04003	0.6
119.01701	1.1
119.03527	2.0
120.47683	0.6
125.02465	5.1
125.06020	0.6
137.65944	0.7
139.07669	0.7
139.11305	23.2
147.06641	1.7
151.00423	1.1
153.01993	1.2
163.11342	1.4
165.07716	7.7
165.09154	1.4
167.03505	0.7
169.01445	6.4
169.12370	2.4
179.10843	1.6
181.12390	5.7
183.10274	30.3
189.07671	1.1
195.13846	0.9
197.11882	2.4
199.13538	1.0
225.11334	10.7
225.47966	0.6
225.50424	0.6
243.03073	0.7
243.12392	4.1
255.02882	0.7
267.12381	1.0
271.02417	1.3
285.13535	1.3
300.02783	2.6
301.03436	0.9
309.11880	4.1
327.12982	1.0
386.48532	0.7
463.08618	3.2
493.22858	2.3
535.24036	5.1
553.15863	5.4
553.24976	100.0
554.25287	8.3
559.68866	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65043	0.8
55.61774	0.7
61.98827	1.4
69.17211	3.4
69.17616	1.8
69.63360	0.7
74.63667	0.6
74.78315	0.7
82.52316	0.8
86.26202	0.7
91.80325	0.8
99.92596	27.9
100.92726	1.0
100.93372	6.7
115.92089	57.6
116.92120	1.8
116.92870	2.5
121.59166	0.7
197.54691	0.8
204.29393	0.7
286.99695	0.8
458.69485	0.8
460.90100	0.8
535.25140	1.9
536.26538	0.8
538.24274	1.1
553.26312	100.0
554.19147	1.2
554.26752	13.7
567.24298	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	553.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30613	0.8
52.68225	0.8
54.83722	0.8
61.19241	0.8
69.14147	2.3
69.14558	3.7
76.11806	0.8
99.92593	88.6
100.92627	2.1
100.93365	6.7
115.92085	50.0
116.92139	1.6
116.92873	5.1
169.50021	0.8
195.12531	0.7
535.25128	4.8
538.23883	2.4
553.26306	100.0
554.26508	11.5
567.24213	10.6
568.24561	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	16.1
59.40128	0.4
61.98835	2.9
69.73396	1.5
69.73754	0.8
71.01389	3.7
71.05009	0.8
73.95099	0.4
83.05030	5.1
85.02924	0.5
87.04504	3.2
89.02438	2.2
93.03477	0.5
96.96030	0.8
101.02457	2.1
106.34273	0.4
108.02223	0.6
109.02956	0.5
113.02460	1.4
119.03529	1.3
123.00844	1.0
123.04547	0.8
124.01691	2.2
125.02408	0.7
126.44302	0.5
130.77513	0.4
137.02437	1.0
138.03246	0.8
139.04028	1.2
160.26625	0.4
161.02475	0.7
161.04588	1.4
162.03278	0.7
165.05571	1.0
167.03467	0.7
177.05548	0.8
178.02707	0.6
179.05612	1.1
183.06654	0.5
191.14436	12.0
193.05067	1.8
195.06598	0.6
241.05186	0.6
269.17517	5.4
287.20126	1.5
295.06268	0.5
329.10318	0.6
331.19162	100.0
332.19464	6.2
341.10202	0.7
373.20288	0.5
405.38742	0.4
493.24713	0.7
553.25854	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.8
59.01382	67.0
61.98849	6.7
69.03448	5.2
71.01397	16.8
72.83607	1.3
72.93230	1.2
72.99301	1.5
73.02946	2.9
82.48450	1.5
83.01399	2.0
85.02948	4.5
87.00883	1.9
89.02460	10.3
95.01373	1.9
101.02439	8.4
107.01426	4.1
110.69059	1.3
111.00878	3.6
113.02456	4.3
119.03531	3.1
123.00900	4.3
123.08083	1.5
124.01659	5.7
125.02452	35.6
127.07702	3.8
136.98834	1.6
137.02454	1.5
137.06126	2.5
139.00362	3.1
139.03973	2.1
139.11282	5.4
140.01208	3.3
151.00269	1.9
161.04706	1.9
163.04030	2.6
163.11310	4.6
165.09232	1.8
167.03493	3.5
168.00664	16.4
169.01436	45.0
179.03552	1.8
183.10251	11.3
197.11797	2.6
205.04967	1.6
207.10292	15.5
209.08148	1.7
211.02484	83.6
212.02869	1.9
221.15474	3.1
225.11316	3.6
229.13507	1.8
253.91013	1.4
258.65820	1.4
271.04593	83.8
272.04889	3.9
319.43704	1.7
331.06702	4.9
369.15625	6.6
387.11914	2.7
387.16614	36.1
388.16876	2.5
401.21869	2.7
553.23773	100.0
554.25946	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	16.1
59.40128	0.4
61.98835	2.9
69.73396	1.5
69.73754	0.8
71.01389	3.7
71.05009	0.8
73.95099	0.4
83.05030	5.1
85.02924	0.5
87.04504	3.2
89.02438	2.2
93.03477	0.5
96.96030	0.8
101.02457	2.1
106.34273	0.4
108.02223	0.6
109.02956	0.5
113.02460	1.4
119.03529	1.3
123.00844	1.0
123.04547	0.8
124.01691	2.2
125.02408	0.7
126.44302	0.5
130.77513	0.4
137.02437	1.0
138.03246	0.8
139.04028	1.2
160.26625	0.4
161.02475	0.7
161.04588	1.4
162.03278	0.7
165.05571	1.0
167.03467	0.7
177.05548	0.8
178.02707	0.6
179.05612	1.1
183.06654	0.5
191.14436	12.0
193.05067	1.8
195.06598	0.6
241.05186	0.6
269.17517	5.4
287.20126	1.5
295.06268	0.5
329.10318	0.6
331.19162	100.0
332.19464	6.2
341.10202	0.7
373.20288	0.5
405.38742	0.4
493.24713	0.7
553.25854	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3144
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98619	0.8
61.98841	9.0
67.68269	1.0
67.79027	0.9
82.66515	0.9
96.96032	1.1
232.77599	1.0
395.33600	1.7
421.31161	2.3
439.32272	5.3
441.33786	30.3
442.34140	3.7
485.32724	100.0
486.33218	7.6
517.32104	1.3
553.31567	56.8
554.31262	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	553.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	5.6
59.01371	7.4
61.98829	14.7
64.07262	3.0
69.08287	24.5
73.02954	3.8
76.68554	3.2
78.95914	5.7
83.01396	12.0
83.05059	3.4
93.03471	3.2
96.96037	5.1
108.13311	3.1
109.02960	4.3
111.04625	2.9
113.09731	19.1
123.04605	4.0
126.01971	12.2
135.04570	3.2
139.04007	3.7
149.02495	4.9
152.99605	11.3
164.04811	12.1
177.12816	3.1
179.07138	6.9
181.08661	4.2
189.91611	3.6
200.05682	15.7
205.27739	2.9
209.08301	4.8
218.06625	14.9
219.50090	2.8
293.21265	100.0
294.21588	5.5
326.11560	3.3
359.15033	5.5
407.28207	4.2
451.26767	8.0
471.35229	6.2
485.32938	4.6
494.27621	80.5
495.27829	8.3
506.88959	3.5
517.32056	6.4
553.32379	28.5
554.31555	4.0
555.01941	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	553.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00101	1.1
59.08016	1.0
60.82888	1.1
61.98832	9.5
71.29104	1.5
75.21027	1.2
90.44355	1.1
97.06657	1.8
115.92115	1.6
139.00491	1.3
139.81371	1.2
178.97260	1.1
206.29384	1.2
239.81854	1.3
339.63348	1.2
339.67996	1.3
389.28693	1.4
391.30328	4.0
405.31784	2.8
407.33228	6.0
441.33862	1.6
451.32263	9.2
453.33792	33.4
454.34348	4.3
469.33264	1.7
471.34848	100.0
472.35034	12.1
485.33047	2.9
553.35291	87.2
554.36200	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	553.3514
Annotation	Muscanone
Peak:m/z	Relative Intensity
59.01389	1.3
61.98836	9.3
69.89944	0.9
71.29413	1.4
76.22074	1.0
80.91671	1.1
83.05009	1.4
96.96046	1.4
97.06544	1.2
102.83459	1.0
117.88926	1.0
158.83385	1.0
168.32172	1.1
190.47668	1.0
223.72397	1.3
444.16418	1.1
469.33728	1.3
471.34857	54.0
472.35092	6.0
553.35297	100.0
554.36053	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	553.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26838	0.6
59.01552	0.6
61.98687	9.4
61.99055	4.5
69.04955	1.8
69.05376	3.8
80.96411	1.0
99.00752	0.6
101.90189	0.5
106.35162	0.7
115.91929	1.2
125.09633	0.7
126.92983	0.5
127.47192	0.9
129.05544	0.5
207.80035	0.7
231.85912	0.6
238.60580	0.6
261.24493	0.8
315.55664	0.7
344.17941	0.6
423.32623	1.6
446.48346	0.7
451.32828	0.8
463.28397	1.1
465.38766	0.7
469.32907	1.0
471.34854	100.0
472.35144	8.5
485.32382	0.7
553.35242	56.0
554.29352	0.9
554.35809	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3514
Annotation	Muscanone
Peak:m/z	Relative Intensity
53.26574	0.6
61.98703	2.5
61.99053	1.1
67.13482	0.6
69.90082	1.3
69.90437	1.7
78.95784	0.7
80.96403	1.2
99.92460	1.1
107.10948	0.7
115.91938	1.4
135.04269	0.7
142.75626	0.7
159.29442	0.6
160.21919	0.6
161.02339	0.9
162.88126	0.6
187.30156	0.6
239.09921	0.7
246.48087	0.6
279.23212	3.8
393.31885	0.8
471.34821	100.0
472.35178	9.0
481.35513	0.7
504.31006	1.7
553.35217	52.0
554.35687	4.3
572.92316	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.0792
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83735	1.1
50.96693	1.0
61.98835	100.0
69.20010	6.0
69.30267	1.2
71.69891	1.1
117.36317	1.1
125.02467	3.7
148.32626	1.2
154.08891	1.1
154.51517	1.3
156.73676	1.1
163.83192	1.1
168.00626	1.3
169.01427	3.5
269.98111	4.8
285.00369	4.8
287.50211	1.2
297.97516	19.6
298.97928	1.6
312.99933	40.1
313.05695	3.2
314.00311	2.0
328.02237	25.7
355.43784	1.2
476.06155	2.6
491.08383	53.3
492.08328	3.9
555.20819	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	554.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69487	0.4
59.01392	2.7
61.31646	0.5
61.98833	100.0
64.14893	0.4
71.01393	1.7
71.28448	0.6
85.02963	0.6
85.77238	0.4
94.07302	0.4
101.02468	0.7
109.02982	0.9
113.02501	0.5
123.00932	0.8
123.04552	1.0
124.83864	0.5
125.02469	2.8
150.47881	0.5
151.00327	0.5
152.43729	0.4
155.10887	0.5
167.03493	0.6
168.00688	1.9
169.01411	4.5
170.01825	1.1
207.10242	0.4
211.02461	5.2
212.02794	2.9
271.04593	5.3
272.04962	3.6
329.14072	1.1
331.06998	0.7
407.81088	0.5
410.71765	0.5
554.23029	10.4
555.23053	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	554.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81759	0.5
52.29742	0.5
59.01395	0.5
59.80625	0.5
61.98833	100.0
71.01392	0.7
78.61943	0.5
80.87093	0.6
82.65163	0.5
101.02502	0.8
104.81937	0.5
123.04637	0.5
127.20865	0.5
137.02480	0.6
149.02501	1.1
183.10321	0.8
216.84378	0.6
271.04575	0.6
456.98663	0.6
569.38184	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64925	0.4
59.01376	0.5
61.98833	100.0
67.58373	0.3
96.96038	1.3
98.21696	0.6
108.02201	0.6
118.80528	0.4
120.06135	0.3
125.81579	0.3
144.85954	0.4
151.52995	0.4
152.00922	0.4
169.01418	0.3
179.03593	0.3
196.68306	0.4
225.40851	0.4
229.18028	0.5
296.37265	0.4
335.69785	0.4
373.13242	0.4
467.13947	0.4
517.90729	0.4
554.28442	0.9
555.26556	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	554.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	3.8
61.98837	29.5
72.85555	2.9
77.85744	3.0
81.03452	4.0
87.62775	2.8
96.96023	9.7
117.01624	3.6
125.02457	6.9
135.04512	3.4
137.02467	7.4
149.02480	7.3
149.06117	4.2
151.04028	5.6
163.04060	3.7
163.11278	4.9
164.04678	7.9
167.03471	4.3
171.10274	5.7
171.82137	3.9
179.07108	6.1
181.08754	5.8
209.08430	4.0
209.11850	100.0
210.12146	3.7
211.43285	3.9
214.10181	3.3
227.12881	12.1
237.42851	2.9
243.06447	4.2
305.06616	7.3
550.04547	3.7
554.34003	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	554.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23613	0.6
59.01369	2.3
61.98838	6.9
78.95912	5.1
81.27203	0.6
97.06627	0.6
98.21725	1.1
103.76675	0.7
106.92300	0.6
120.56446	0.6
143.95027	0.7
155.20027	0.7
166.66202	0.6
168.04292	2.1
183.95833	0.6
224.06873	0.8
236.13383	0.8
242.07985	2.6
277.21808	0.9
279.23318	100.0
280.23624	6.2
472.35519	1.0
504.30972	29.2
505.31284	1.8
554.31036	4.1
555.33514	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00991	0.8
61.98836	88.8
69.17619	0.8
78.95869	1.4
82.03675	0.8
91.28719	0.8
91.67723	0.8
96.96972	1.3
99.92600	2.8
115.92100	10.3
161.42250	0.9
197.56941	0.8
279.23239	1.2
326.51428	0.9
390.67715	1.0
393.27939	0.9
407.29016	1.6
407.33734	1.5
409.31131	1.5
423.32666	25.4
424.32904	5.2
425.34229	3.5
453.34195	1.1
456.32095	3.3
469.33252	28.2
470.33661	12.7
471.34451	1.0
472.35040	1.4
490.31531	1.0
554.30981	100.0
555.24091	18.3
555.31641	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	554.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	85.4
63.88911	0.9
69.02153	9.8
79.19865	1.1
82.35279	1.0
86.81024	1.1
90.93224	1.2
96.96976	2.0
99.92590	4.3
115.92085	10.1
148.53160	1.0
209.80220	1.0
407.29166	1.5
407.33728	1.3
423.32721	28.3
424.33231	5.9
425.34067	3.9
426.34409	1.3
456.32147	3.0
469.33224	31.4
470.33566	11.6
472.35104	2.2
491.29538	1.2
537.23065	1.7
554.30988	100.0
555.24109	24.2
555.31787	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.0444
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.3
59.33577	0.2
64.22601	0.2
67.01875	0.3
69.03451	0.3
71.01383	0.2
71.01765	0.2
71.28506	0.2
79.01881	0.2
79.95742	2.6
95.01414	0.3
96.96019	100.0
97.02987	0.3
99.15613	0.2
107.01410	0.6
108.02217	0.2
109.02948	0.3
111.00912	0.2
123.00891	1.8
123.04534	0.7
124.01683	0.4
125.02458	10.2
137.02457	0.8
139.00409	0.7
139.04010	0.4
140.01154	0.2
150.03223	0.7
151.00391	0.8
153.01985	0.3
161.02457	0.5
165.01962	0.5
165.05565	0.7
166.02725	0.3
166.99982	0.2
167.03508	1.1
167.07202	0.5
168.00745	0.5
169.01439	19.0
170.01791	0.4
179.03526	0.4
183.03023	0.7
193.01414	0.4
194.02147	0.2
194.06007	0.4
197.04581	0.3
209.04549	1.0
209.08247	0.3
211.02531	0.6
237.38300	0.2
241.07149	0.8
266.98199	0.3
271.04501	0.3
287.05698	0.2
301.00061	0.4
305.06641	1.1
341.08801	0.6
345.13647	0.4
360.99030	0.2
408.04510	0.2
439.02478	0.2
457.07974	1.4
483.11700	0.9
495.02521	1.4
518.99371	0.3
555.04755	0.8
555.13727	4.8
555.20746	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	7.0
60.23174	1.5
61.98811	1.9
69.03453	2.0
69.18359	9.9
71.01380	10.2
72.99293	2.3
73.02969	2.3
75.05476	1.5
83.55762	1.5
85.02959	1.9
88.98820	2.5
89.02470	3.2
95.01363	2.5
96.96008	6.2
98.21829	3.6
101.02460	4.5
106.13620	1.6
107.01409	14.0
109.02990	2.3
111.00870	5.8
113.02488	3.2
121.02940	5.2
123.00885	14.3
123.04504	1.7
124.01621	3.9
125.02454	76.3
127.00373	2.1
134.03743	22.0
134.71260	1.5
135.04524	2.4
136.01663	59.4
136.98814	2.5
137.02428	5.0
139.00381	7.3
139.04015	2.8
140.01157	8.4
149.02431	6.4
149.06094	10.9
150.03183	4.0
151.00433	9.0
151.04013	72.2
152.04712	6.5
153.01910	2.6
161.04453	1.7
164.04832	5.1
165.01895	7.0
165.05586	1.8
167.03485	5.3
167.07111	5.4
168.00740	9.2
168.04312	2.2
169.01427	100.0
170.01753	3.3
179.05490	1.6
179.07080	2.4
181.05005	1.6
182.05833	7.8
183.02989	5.3
183.06677	2.5
186.86711	1.5
193.04968	2.3
195.06659	2.4
197.08078	1.8
199.42096	1.6
211.02446	3.7
213.05548	3.9
217.05232	1.8
223.68939	1.5
226.91470	1.7
241.05171	20.5
243.50311	1.7
256.07410	16.4
271.09756	30.6
272.10150	1.9
297.06198	2.2
300.99725	2.6
313.05679	23.0
319.11719	2.7
327.07355	3.3
352.69147	1.6
387.05069	2.0
422.48303	1.8
458.55743	1.6
481.13437	6.7
493.13550	34.0
494.13861	3.9
511.14569	52.3
512.14960	3.9
525.12579	8.7
537.12567	33.8
538.12805	3.5
552.50195	1.7
555.13330	10.6
555.20752	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	555.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.7
67.51468	0.3
69.00713	2.7
71.01374	1.3
75.45708	0.4
80.63652	0.3
83.40086	0.3
85.02962	0.5
91.01944	0.4
93.03427	0.4
98.25291	0.4
107.01391	0.7
108.02181	0.8
109.02980	0.8
112.63961	0.3
113.02421	0.3
114.21154	0.3
123.00935	0.6
123.04512	1.5
125.02434	0.6
129.07195	0.3
131.05031	0.6
133.03001	0.8
135.04521	1.0
137.02473	0.4
139.51994	0.3
143.05017	0.8
150.03261	0.8
151.00372	0.8
151.03987	0.4
152.01173	2.0
153.01921	0.5
157.06587	0.9
159.04529	11.3
161.02473	1.0
165.05453	0.5
166.06377	0.4
167.03502	5.8
172.05345	1.2
173.06085	2.3
175.07652	3.3
180.04106	0.3
181.06581	0.5
183.04526	0.9
185.06139	0.8
195.06541	0.5
197.06108	0.5
198.06718	0.4
199.07669	2.7
201.05603	10.7
207.92412	0.3
213.05553	0.4
215.07164	0.7
225.05588	2.5
243.06628	100.0
244.06956	4.7
296.05560	0.7
311.07745	17.8
312.08051	0.5
329.14020	0.4
355.37048	0.4
423.31863	0.4
477.19315	1.0
525.21143	0.7
555.15234	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80083	0.7
57.03431	1.0
59.01385	7.5
59.46273	0.6
61.98841	3.8
62.90268	0.6
69.03426	3.0
69.31389	3.1
71.01355	2.1
72.99291	0.8
73.02932	1.3
83.00992	0.6
83.01398	5.8
85.02908	1.0
87.00884	1.3
87.66192	0.6
95.01364	1.8
97.02935	3.3
99.04523	1.1
101.02414	1.7
107.01335	2.1
108.02121	1.1
109.02939	1.4
111.00890	1.4
113.02392	1.0
116.92857	1.2
117.92899	1.0
118.92576	0.9
119.08555	0.8
121.02914	1.6
122.03741	1.0
123.00886	9.2
123.04500	1.5
124.01679	19.5
125.02463	63.1
135.04489	1.3
135.08060	1.3
136.01651	1.2
137.02458	4.0
137.06055	1.1
137.09711	4.6
139.00400	11.6
140.01091	2.1
147.04518	0.9
149.02406	1.6
149.99590	28.8
151.00211	2.1
151.03946	1.6
152.01044	0.8
153.01880	1.4
154.02722	11.4
155.03404	2.2
161.04500	0.9
161.09717	1.7
163.07579	2.7
164.04729	2.2
165.01917	0.7
166.06302	1.3
166.99837	0.8
167.03395	3.0
168.00653	63.1
169.00247	0.7
169.01421	10.7
169.05070	10.6
179.07082	1.9
179.10722	1.4
180.04184	0.9
181.08716	5.3
195.06459	0.8
197.11768	1.8
201.91681	0.7
203.10538	0.8
223.09604	2.3
247.09502	0.7
271.04276	0.8
313.05505	2.3
331.06503	2.4
333.20602	2.9
357.13474	13.9
358.13556	1.0
373.12616	1.2
412.79294	0.7
493.13492	2.4
494.91821	0.8
495.15057	1.2
511.17914	2.6
537.19958	1.2
555.16901	100.0
556.17340	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	555.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	13.6
66.63197	0.9
69.45603	2.1
69.45999	4.4
71.01376	7.4
72.99299	1.1
80.01272	0.9
85.02972	1.1
87.63406	0.9
89.02453	6.9
95.01375	1.3
98.21793	2.4
101.02470	4.7
101.33261	0.9
107.01382	3.7
111.00896	2.1
113.02448	3.5
119.03504	4.1
123.00877	1.2
123.04543	1.6
124.01677	3.8
125.02457	24.6
139.00372	3.5
140.01175	4.7
149.02531	1.3
150.03206	4.1
151.00409	1.4
151.03999	1.8
165.02028	1.3
165.05550	4.1
167.03479	2.5
168.00662	11.8
169.01448	34.2
179.05592	2.5
179.10802	6.4
195.06599	2.9
200.44481	1.1
211.02492	59.9
212.02855	1.8
223.09795	8.2
259.36310	1.1
271.04608	100.0
272.05099	2.4
303.45471	1.0
331.06744	20.7
359.15332	0.9
359.47879	1.1
403.16162	4.7
507.20255	9.1
511.18365	9.4
555.17169	29.3
556.17035	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	555.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87397	0.8
59.01380	14.8
71.01375	2.7
71.29244	1.2
72.99337	0.9
73.02950	1.6
82.45399	0.7
83.01399	1.3
85.02941	2.1
87.00856	1.1
89.02454	4.4
91.37337	0.8
93.03474	5.1
95.01395	1.4
101.02454	2.4
108.02173	1.1
108.99391	0.8
109.02991	2.0
113.02451	1.3
119.03526	1.8
121.02969	7.3
123.04504	1.2
124.01675	1.9
125.02429	3.3
137.02451	3.4
138.03230	15.7
139.04024	100.0
140.04417	1.9
148.05354	0.9
151.00414	0.9
151.04068	2.0
152.01205	1.0
153.05550	0.8
164.04839	0.9
167.03519	2.7
167.07167	0.9
168.00613	1.9
169.01411	3.2
169.05057	1.3
179.03477	6.4
179.07027	1.1
180.04305	2.4
183.02986	1.8
193.01550	0.9
193.05078	2.1
193.57576	0.7
194.05826	3.4
195.06599	2.4
209.08214	4.0
211.02408	1.2
227.62076	0.8
333.13449	53.6
334.13858	4.1
555.20172	7.0
555.30084	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	19.6
69.03330	6.6
69.03737	2.2
71.01384	9.9
72.99326	1.2
73.02946	2.5
76.96473	0.9
79.29074	0.9
81.03483	1.1
83.05051	1.3
85.02963	2.6
87.00895	2.3
88.49995	0.9
89.02461	10.3
93.03466	3.9
95.01373	1.7
95.05087	1.0
97.02967	1.2
98.22624	2.2
99.00854	1.1
101.02452	6.2
102.98596	2.0
107.05074	1.2
108.02187	4.4
109.02957	15.6
111.00941	1.4
111.04536	3.6
113.02455	3.6
119.03492	3.7
119.05053	1.3
121.02952	2.0
123.00892	2.5
123.04555	6.9
123.08181	3.1
124.01661	1.3
125.02448	5.9
131.03503	1.3
135.04520	2.1
136.01639	3.4
137.01485	1.2
137.02470	14.1
138.03241	100.0
139.04027	58.8
140.01157	2.3
140.04341	2.1
145.02998	1.2
148.05302	7.6
149.02483	3.6
149.06102	1.6
150.03226	3.2
151.00381	1.5
151.04022	33.1
152.01205	1.7
152.04744	4.1
153.01982	1.0
153.05580	4.1
161.04559	2.1
162.03250	1.2
163.04039	7.7
163.07652	3.1
164.04761	1.9
165.05589	4.2
167.03488	3.0
167.07149	15.4
169.01427	4.1
170.02220	19.5
170.03667	1.1
178.02725	4.4
179.03522	12.8
179.05315	1.5
179.07047	1.0
180.04300	33.5
181.05072	11.4
183.06642	2.6
183.10338	1.2
184.03703	1.1
193.05099	7.8
194.05777	1.4
195.06630	5.1
221.06686	7.0
221.35333	0.9
271.04605	2.5
283.05002	1.9
300.85010	1.0
333.13409	15.6
359.14905	2.3
360.10718	3.8
361.11414	57.6
362.11899	3.1
373.11469	1.1
375.14462	8.1
383.90329	1.1
507.20401	7.2
537.19543	2.5
554.36243	1.1
555.20886	56.2
556.21289	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	555.2082
Annotation	Amritoside A
Peak:m/z	Relative Intensity
50.91661	1.4
52.14293	1.5
57.03436	2.4
59.01096	2.4
59.01379	45.2
59.14382	1.5
61.98837	2.6
71.01392	10.4
73.02955	7.9
83.01375	6.2
83.05027	1.7
85.02963	8.0
87.03954	1.6
87.04525	3.8
93.03445	3.1
95.01403	2.0
99.04522	4.7
101.02468	4.7
108.02187	14.2
109.02975	16.5
113.02443	5.1
121.02936	3.1
122.03749	47.8
123.04537	94.9
124.01721	2.2
125.02460	6.4
133.22739	1.7
137.02451	20.0
139.03973	2.6
139.11298	34.2
149.02461	6.2
149.06065	2.2
152.01183	3.1
156.11189	1.6
163.11235	2.3
164.04861	2.7
165.05563	3.8
167.07254	1.5
169.01439	3.7
169.12318	3.0
179.03506	5.1
179.10760	3.1
181.12372	12.7
183.05452	1.8
183.10272	60.1
194.05710	1.9
197.04500	3.1
197.11873	2.4
209.08214	2.5
225.11330	16.9
226.32327	1.7
227.05618	2.2
243.12370	9.3
256.60107	2.3
327.14639	3.5
345.15485	2.6
352.43192	1.8
393.64056	1.9
493.20676	12.5
511.15820	1.7
511.21829	61.5
512.22321	5.3
537.19836	6.2
555.20892	100.0
556.21246	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	555.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.2
57.03458	4.3
59.01386	30.3
61.98820	7.2
69.58582	7.1
70.65146	1.7
71.01374	10.3
73.02936	3.6
81.03463	2.7
83.01378	6.8
83.05027	1.4
85.02949	5.0
87.00873	5.1
95.01427	1.8
97.02935	3.6
98.21895	2.1
99.00906	2.0
99.04532	3.1
101.02451	4.9
109.02962	1.8
111.00860	6.5
113.02464	3.7
116.92892	4.5
117.92890	2.5
118.92677	3.5
119.08626	2.3
121.06611	2.4
123.00894	4.0
123.04513	2.1
124.01668	8.6
125.02459	24.6
125.06110	1.9
128.60367	2.2
129.38065	1.6
135.08173	4.4
135.11868	1.9
137.02458	3.7
137.09734	19.6
139.00383	72.6
140.01195	9.1
149.99609	11.1
150.74695	1.7
151.00224	2.2
151.04042	2.2
153.01918	8.6
154.02731	71.3
154.04002	3.5
155.03522	18.5
161.04582	4.9
161.09741	7.2
163.07674	17.6
166.06360	3.2
167.03406	2.0
168.00652	26.5
169.01439	6.9
169.05077	77.4
170.05496	2.5
179.03580	1.8
179.10791	11.5
179.94119	1.5
181.08705	27.5
194.40538	1.7
197.11783	4.8
223.09718	10.6
241.10825	5.0
265.10751	2.7
313.63416	1.8
333.20776	27.5
357.13477	9.4
525.21094	2.9
537.19861	4.5
551.11359	2.1
555.21405	100.0
556.21588	10.1
582.31519	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72688	1.6
59.01382	3.9
61.50212	1.7
69.22312	11.4
71.01367	3.2
72.42641	1.6
74.99110	2.0
87.00870	2.3
88.98788	4.3
89.02445	1.6
93.03438	2.2
98.21802	3.4
108.02153	2.9
109.02979	10.8
109.70153	1.6
111.00893	4.1
111.04544	2.1
123.08138	3.0
125.02452	2.5
137.02437	21.8
138.03241	91.0
139.04021	89.6
140.04373	1.7
149.06018	2.4
151.04005	2.5
153.01947	2.3
156.85960	1.6
167.07112	13.2
169.01483	2.0
170.02219	7.2
185.82553	1.6
198.05342	41.1
199.06129	77.1
200.06290	1.6
227.90985	1.5
331.92358	1.8
332.07568	2.4
333.13446	3.2
360.10495	3.0
361.11459	11.1
393.15576	100.0
394.15961	6.0
555.20117	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	1.8
59.01384	18.2
61.98846	1.7
69.11642	10.0
71.01380	10.5
73.02995	2.5
81.03495	1.9
85.02964	3.6
87.00873	3.1
89.02483	6.8
100.03955	1.7
101.02483	7.4
101.48178	1.6
107.01413	3.4
109.02974	11.3
111.00944	2.3
113.02459	4.8
113.10458	1.8
119.03546	3.9
121.02956	2.0
123.00928	3.3
123.04574	3.1
124.01692	2.1
125.02461	14.4
135.04588	2.8
136.01680	2.1
137.02460	90.4
138.03241	100.0
139.00447	1.9
139.03915	2.3
149.02512	6.8
149.06206	2.4
151.04054	4.3
151.07712	4.0
152.01169	4.0
152.04811	33.3
153.05594	71.7
154.05904	3.1
161.04582	3.7
164.04814	18.2
167.03600	4.5
168.00768	1.6
169.01453	14.7
170.02280	5.3
175.20062	1.6
178.02762	6.5
179.03593	5.3
179.07216	7.7
180.04263	4.0
184.03799	12.2
193.05122	5.6
194.05847	2.5
195.06609	16.0
197.11911	4.4
206.34097	1.7
209.08441	2.2
211.02452	2.9
213.07764	5.8
221.06763	3.2
241.10927	4.8
253.81784	2.0
271.04697	2.7
283.11984	2.4
333.13638	2.2
343.14294	4.1
375.12976	92.2
376.13556	7.4
403.16006	9.2
548.70166	1.7
555.21039	89.3
556.21753	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	555.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.0
57.21110	0.3
59.01384	2.7
61.98835	8.9
65.00334	0.4
71.01376	1.1
71.28629	0.6
73.02937	0.9
81.03462	4.2
81.03911	0.5
83.01383	2.2
85.02956	0.6
87.04522	1.1
89.02464	0.6
95.05051	0.5
95.30766	0.3
97.02969	0.4
99.04553	0.4
101.02461	1.2
107.01422	0.5
111.04516	0.3
113.02431	0.8
119.03503	0.3
121.02939	0.4
123.00885	0.5
123.04535	28.9
124.01679	0.4
124.04813	0.6
125.02438	6.7
129.69836	0.3
137.02444	0.7
138.03108	0.4
139.11284	0.6
149.02472	0.7
151.00372	0.9
151.04028	0.6
161.04550	0.6
161.09668	0.3
164.04744	0.5
165.05630	0.5
167.03505	100.0
168.02675	0.3
168.03865	2.1
169.01431	0.6
175.00330	0.4
179.10764	0.6
181.12419	0.3
183.10277	1.1
191.03488	2.9
191.10776	0.3
209.08171	1.0
225.11490	0.6
233.04434	0.5
243.12439	0.8
246.87093	0.5
271.19098	0.5
273.04697	0.4
273.07654	0.5
357.26538	2.1
387.16693	1.0
393.13895	0.4
482.21365	0.4
555.20056	4.8
555.29498	1.2
556.21295	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08447	1.3
59.01376	8.6
61.49323	1.4
69.03080	1.3
69.30457	7.9
71.01396	3.3
89.02446	3.3
93.03500	4.1
101.02450	2.3
108.02209	2.8
109.02997	10.0
119.03513	2.7
120.98893	1.5
120.99650	9.3
121.02986	5.3
122.03738	12.2
123.00920	3.0
123.04531	10.1
124.01663	3.1
125.02448	16.1
133.02946	3.5
135.04543	1.7
136.01660	1.8
137.02415	2.9
141.19008	1.6
147.04434	1.7
149.02458	21.0
150.03239	97.9
151.04019	24.5
159.04549	3.2
161.02356	2.3
164.04816	6.0
165.05577	100.0
166.05969	1.9
167.03531	2.0
168.00677	5.5
169.01434	22.0
173.06171	2.6
173.79301	1.5
179.10751	2.5
180.04263	7.2
181.05075	13.8
189.05550	3.0
191.77779	1.5
195.06641	54.1
196.06975	2.4
203.07166	2.9
211.02499	33.4
223.09799	2.8
223.25027	1.8
241.05115	6.1
255.06628	2.3
271.04584	55.2
272.04840	2.4
297.07745	5.8
299.09341	3.5
313.10928	5.5
329.10522	2.5
331.06668	10.6
344.12689	11.4
345.13101	2.6
359.15039	29.2
360.15356	2.9
403.15958	4.0
447.14523	3.1
461.16156	6.6
477.15433	2.3
507.20319	81.6
508.20245	9.5
511.18225	3.0
555.17212	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	555.2242
Annotation	Ehletianol C
Peak:m/z	Relative Intensity
51.28616	1.4
54.00245	1.3
59.01378	5.2
61.98825	2.6
62.46223	1.5
63.55450	1.4
70.56274	3.4
71.01384	2.2
79.95720	1.5
88.98810	4.6
93.03452	3.3
96.96015	3.7
104.59192	1.4
108.02205	1.6
109.02972	3.1
120.99641	1.9
121.02958	6.2
122.03739	12.0
123.00883	3.8
123.04504	5.2
124.01661	2.6
125.02471	10.5
133.02969	4.0
135.04477	3.1
136.01640	2.3
137.02455	2.8
139.00421	1.7
146.53630	1.4
146.93886	1.3
147.04565	4.6
149.02449	32.3
149.99609	2.9
150.03236	78.4
150.70860	1.4
151.00432	2.3
151.03871	2.8
152.01074	2.0
159.04536	10.8
160.05305	5.4
161.06075	3.3
163.04054	6.5
164.04788	9.5
165.05586	83.0
166.06194	5.2
167.03485	7.3
168.00645	5.9
169.01421	4.7
173.06027	2.7
175.07628	8.4
177.05563	3.1
179.07082	1.8
180.04385	7.2
181.05118	2.3
181.06584	1.5
181.08667	2.4
183.25995	1.3
193.34306	1.5
195.06638	51.2
196.07011	1.9
197.06007	1.4
199.07677	2.1
201.05621	11.0
207.06686	4.5
219.00574	1.4
220.07368	2.2
225.05544	3.4
237.07613	2.1
241.05002	2.2
243.06635	100.0
244.07005	4.0
255.06662	2.0
266.05789	1.8
269.08203	1.8
271.06155	6.2
283.06189	2.6
285.07675	5.8
286.08524	3.9
295.06073	2.1
297.11203	3.4
298.08463	2.4
299.09293	2.6
311.07712	12.5
313.10745	4.6
315.12531	1.5
318.07327	8.1
325.10788	4.7
327.12268	2.2
329.10330	2.9
329.13950	20.8
332.08759	1.6
333.20691	5.8
341.14069	2.6
343.12030	8.0
371.14917	3.5
373.12900	3.7
431.15067	1.6
447.18848	1.4
477.19263	21.0
478.19687	2.5
481.18982	1.7
507.20358	32.3
508.20609	3.1
509.17926	1.8
510.18082	1.6
525.21429	15.0
537.21399	5.2
555.22809	45.8
556.22382	4.7
574.72363	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.7
59.01381	3.9
61.98834	9.1
69.05416	4.4
70.97274	0.6
78.95901	0.7
79.26770	0.5
79.62743	0.6
96.96974	0.7
99.92587	23.8
100.92708	0.7
100.93356	2.9
113.92603	0.5
115.92082	44.3
116.92112	1.2
116.92876	3.0
141.01759	2.8
161.19759	0.6
220.32950	0.6
223.79279	0.6
277.21729	1.8
407.29276	3.2
409.31201	1.2
453.33945	2.1
455.31247	3.6
457.32294	1.7
469.33261	1.9
470.33548	1.8
471.34866	5.1
472.35187	0.8
473.35147	0.8
537.23114	7.0
540.22388	1.4
555.24152	100.0
555.31677	6.6
556.24518	12.5
556.32672	1.9
569.22144	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2451
Annotation	Jaspolinaloside
Peak:m/z	Relative Intensity
50.48914	0.6
55.01883	0.5
57.03430	0.6
59.01381	4.3
61.98833	0.9
67.01855	0.6
68.99220	6.2
71.01389	5.2
71.05033	0.8
72.99308	0.9
73.02938	1.2
78.20676	0.6
79.01876	1.3
83.01382	1.8
85.02950	2.1
86.97269	0.6
87.00863	0.6
89.02453	1.5
91.67918	0.6
95.01388	1.6
96.35114	0.6
101.02464	3.0
107.01393	4.8
109.02971	0.7
111.00908	3.9
113.02448	1.9
113.43193	0.6
113.53956	0.6
123.00897	16.2
123.04598	0.7
124.01646	1.2
125.02457	21.8
127.00378	1.3
135.04552	0.6
136.98804	2.6
137.02487	1.0
139.00356	5.6
140.01166	3.9
141.01988	1.6
146.66220	0.6
151.00385	12.5
151.04048	0.6
153.01964	1.0
155.00056	0.8
164.04797	0.5
167.03448	1.5
168.00644	8.8
169.01430	36.1
170.01836	1.0
179.03531	1.2
209.04575	1.4
211.02443	3.8
213.02850	1.0
253.03670	1.3
271.04575	2.2
272.04810	1.1
273.05020	0.6
297.06256	1.5
304.56628	0.6
313.05573	4.9
372.60873	0.6
385.11429	6.1
537.23431	51.2
538.23694	4.3
555.24438	100.0
556.24719	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49129	0.4
53.42235	0.4
57.03451	0.6
59.01385	2.4
61.98836	3.2
62.30651	0.4
69.36659	0.9
69.37068	1.7
71.01379	1.4
73.02966	0.4
79.95744	3.7
85.02965	0.5
96.96018	100.0
98.21833	0.9
100.22298	0.5
101.02477	0.7
121.02968	1.3
123.00883	0.5
124.01688	0.6
125.02464	0.9
137.02396	1.0
146.03729	1.7
149.06107	0.9
150.03232	0.5
151.04085	0.8
161.06046	0.7
162.03267	0.6
164.04832	2.2
165.05573	0.7
166.06357	4.7
167.03525	0.6
178.02751	0.7
179.03481	0.7
179.07135	5.7
181.08760	2.8
183.13878	1.6
185.06052	0.9
187.20699	0.4
193.05087	1.6
194.49081	0.5
227.07104	7.3
272.87854	0.5
313.23880	1.4
333.20673	1.3
457.28235	1.0
475.29065	8.0
555.24774	55.8
556.25061	5.6
578.84937	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	2.0
55.30873	2.3
57.03443	4.1
70.61310	2.3
70.62813	5.4
80.96527	19.3
81.03465	3.6
85.02970	2.2
85.06600	5.5
87.04504	2.1
94.98101	3.8
95.05040	2.8
98.54635	2.3
103.23865	1.8
109.06603	6.2
111.04490	10.9
113.09736	3.5
121.03038	2.0
123.08172	4.4
125.02458	3.9
139.03998	4.2
151.07672	11.2
152.98695	2.6
164.98631	4.1
165.09221	10.2
176.42702	2.1
177.01939	3.1
181.08736	18.5
183.06702	3.4
191.03593	2.6
191.10844	4.3
195.06635	52.6
205.05034	13.5
207.06662	7.6
207.13947	5.6
209.08202	39.0
219.06628	18.3
220.07408	9.3
221.06226	3.0
221.08061	10.6
223.09700	4.3
225.00717	6.1
232.07376	1.9
233.08229	5.6
233.11995	2.9
234.08968	6.0
245.08130	2.5
247.09729	5.9
261.07648	2.1
261.11322	4.4
264.09320	2.5
275.12781	3.9
277.10806	3.0
289.14230	3.6
301.18076	3.3
305.10837	2.0
305.13876	13.7
319.11887	12.0
319.15515	4.8
319.19107	4.4
327.16162	2.6
341.17902	2.7
345.13611	3.7
345.17084	100.0
346.17474	7.4
348.62817	2.4
359.14160	4.3
359.18661	91.4
360.19077	5.1
445.20193	2.2
555.29102	51.5
556.29108	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	555.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61505	0.4
61.58722	0.3
61.98828	2.0
77.88082	0.3
83.26655	0.3
85.02949	1.0
99.92592	9.6
100.38455	0.3
100.92695	0.6
100.93357	5.3
111.04537	1.2
113.09719	0.4
113.92577	0.3
115.92085	100.0
116.92081	2.9
116.92881	2.7
117.92524	0.3
132.92358	1.1
139.04031	0.6
155.07158	0.4
165.09225	1.7
181.05103	0.6
181.08685	2.3
193.08656	0.4
195.06602	0.3
206.91342	0.3
209.08228	5.2
210.05341	2.0
210.08638	0.4
211.09657	0.3
235.09721	0.3
247.09850	0.4
249.07797	0.4
273.25513	0.3
299.35815	0.4
319.11859	1.1
319.15182	0.5
343.20160	0.5
345.17029	0.7
393.01956	0.5
455.35507	0.7
537.27252	0.6
555.27887	58.1
556.28137	7.6
569.25836	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	2.5
69.02914	1.8
69.03349	3.0
78.81352	0.5
95.83382	0.5
99.92598	24.2
100.93372	5.6
106.43856	0.5
115.92091	50.3
116.92103	1.3
116.92867	1.6
132.92351	0.7
216.58156	0.5
455.35361	1.7
537.27087	0.7
543.74652	0.7
555.27863	100.0
556.28149	13.5
569.25720	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	555.2963
Annotation	CHEBI:70534
Peak:m/z	Relative Intensity
61.98836	4.0
70.48770	1.6
79.36706	0.9
81.03466	2.6
93.03481	0.9
95.91677	0.8
108.02187	4.6
109.02956	35.5
121.02959	4.1
123.04537	10.1
125.09795	1.0
135.04538	8.5
137.02455	3.2
145.02983	1.5
146.03723	2.5
147.04526	4.8
148.05380	1.0
149.06110	3.7
158.03749	1.2
159.04523	7.6
160.05302	2.0
160.67253	0.8
161.02457	1.3
161.06021	3.7
162.03183	2.1
163.58662	0.8
169.87173	0.8
171.10265	4.0
172.05270	2.4
173.06070	14.7
175.03992	1.0
183.04506	1.0
185.06108	2.4
197.06079	3.1
198.06836	1.9
199.04005	1.8
199.07634	1.9
201.30037	0.7
209.06104	1.5
211.07652	1.7
213.05521	1.3
223.07634	1.7
224.04765	3.3
225.05658	2.0
229.12593	1.0
233.11832	1.8
235.22807	0.8
239.07195	1.1
239.10675	1.1
241.02614	0.9
241.05052	17.2
241.08807	1.8
242.05876	4.9
243.06599	1.1
243.13910	3.4
251.07332	0.8
253.05032	5.7
254.05830	7.4
255.06598	2.7
255.13945	3.0
261.15118	1.1
265.08658	1.5
267.06607	5.7
268.07318	1.1
279.03992	1.1
279.06519	4.9
281.08206	2.0
283.09747	12.2
285.14978	1.8
293.08157	1.6
303.15985	2.7
309.14948	2.7
327.16061	3.2
335.13223	1.1
345.17075	2.8
351.15970	1.1
365.17584	12.6
383.18756	2.1
409.23947	1.7
419.18906	4.4
427.24759	3.2
437.19635	7.2
452.67120	0.9
455.20825	24.5
456.20892	1.3
501.26410	3.8
519.27405	6.7
519.33722	0.9
537.28589	42.6
538.28845	3.1
555.29645	100.0
556.30035	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	555.296
Annotation	CHEBI:70534
Peak:m/z	Relative Intensity
61.98826	4.9
81.03484	3.0
86.17510	2.2
94.58645	1.9
98.21722	4.6
108.02190	6.5
109.02968	38.4
120.09718	2.2
121.02957	3.9
123.04499	6.7
125.09712	2.2
135.04561	9.9
137.02449	9.7
145.02982	4.6
146.03743	3.2
147.04512	3.8
149.06042	4.6
159.04536	8.9
161.06075	2.8
162.03160	2.2
165.01895	3.3
169.05975	1.9
172.05244	3.8
173.06027	7.6
185.06110	5.2
186.06836	2.2
191.06914	2.2
195.81927	2.2
197.06155	2.5
198.06984	2.2
199.03999	2.9
199.07588	3.4
209.06148	3.0
213.05498	4.1
219.13866	5.1
224.04828	3.2
225.05696	2.6
240.07950	2.1
241.05084	19.1
242.05772	3.7
243.06635	2.3
243.13963	6.3
249.15031	4.5
253.05019	8.4
254.05847	12.5
255.06433	3.1
255.13911	4.3
263.07129	2.7
267.06619	8.8
279.06567	8.5
283.09839	11.7
293.08173	4.0
305.06482	3.9
327.16089	5.2
365.17657	21.8
383.18716	25.3
419.18683	8.2
423.17761	2.6
437.19720	8.7
455.20352	2.6
485.32849	2.8
487.34033	3.5
501.26315	5.8
519.27502	8.3
537.28522	65.7
538.28760	8.5
555.29645	100.0
556.30170	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	555.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.9
61.98833	8.4
71.29874	1.9
72.99339	1.5
73.02950	4.0
95.70404	1.3
96.95992	2.3
109.06632	1.6
151.69913	1.5
161.02470	1.5
192.47125	1.6
243.06563	2.0
292.54977	1.5
473.32776	27.4
474.33063	2.6
483.30963	1.8
487.34326	100.0
488.34720	6.5
517.31464	1.7
555.33142	70.8
556.33105	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	555.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
58.15574	0.6
59.01380	1.6
61.98833	24.1
69.15922	4.7
78.95899	0.7
93.91380	0.6
103.00395	0.9
125.09768	0.7
179.16551	0.6
197.89352	0.6
225.95090	0.7
279.23343	4.0
280.23727	1.8
393.28238	1.1
405.31659	1.6
407.29514	1.5
409.31180	2.6
423.32690	57.3
424.32928	5.9
425.34384	2.0
465.33820	2.1
469.33234	100.0
470.33612	12.0
471.34830	19.2
472.35168	2.0
473.35822	4.6
504.31390	1.1
505.31274	2.8
511.34113	2.3
555.30682	12.0
556.32635	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	555.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90668	0.7
57.03435	1.1
59.01384	1.8
61.98837	6.0
62.12222	0.7
63.18453	0.7
68.99826	0.9
69.03452	2.5
71.05020	2.7
85.02970	1.2
87.04518	0.8
95.05022	1.8
97.06583	1.8
99.00864	1.2
99.92609	2.2
111.04529	10.9
115.92081	8.0
121.06644	1.0
123.04539	1.9
123.08174	1.6
125.06091	3.2
125.09740	4.6
127.11312	2.5
130.09857	0.7
149.02429	1.7
153.12845	1.4
155.10887	1.2
157.12297	0.9
171.10313	1.6
179.07242	1.9
179.10767	2.2
181.08745	6.2
183.06551	1.6
187.09802	1.1
191.07121	1.2
193.08710	1.0
195.06577	4.0
197.11847	74.2
198.12108	2.8
201.11351	1.1
205.08640	1.1
209.08104	1.2
219.06700	2.1
221.08324	1.0
223.09814	1.2
225.07695	1.0
233.08167	4.7
235.09781	2.6
249.11316	1.1
295.22665	1.0
313.14627	0.8
313.23972	6.1
319.11905	2.8
321.17068	2.9
329.23306	2.1
331.24927	23.9
332.25299	1.5
345.13385	1.3
359.11401	2.1
471.31033	2.9
487.34464	1.6
511.36700	9.2
512.36804	1.0
537.22534	0.9
537.34265	2.3
555.25812	37.6
555.35297	100.0
556.26337	6.2
556.35577	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	555.37
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94050	3.9
84.69904	4.6
89.60766	3.8
99.97131	4.9
105.90859	4.1
115.92123	5.9
120.03187	4.7
140.09509	3.8
200.99945	4.6
226.71268	4.8
255.62279	5.2
424.24707	4.5
433.71484	4.5
555.28387	7.4
555.36896	100.0
556.37488	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	555.3693
Annotation	CHEBI:69627
Peak:m/z	Relative Intensity
54.48824	0.3
59.01387	8.8
60.47380	0.3
69.23718	1.4
69.24124	0.7
71.15171	0.3
83.01391	0.5
98.22527	0.5
103.55560	0.2
107.20609	0.2
108.75085	0.3
140.30553	0.3
169.30878	0.3
210.92804	0.3
221.02602	0.3
238.75543	0.3
256.93472	0.3
308.26553	0.3
495.34650	1.9
555.36945	100.0
556.37274	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	556.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76710	2.0
59.01375	4.0
61.10762	1.9
61.98849	13.6
70.48640	3.1
71.01396	3.4
73.42319	1.6
79.95731	3.0
81.41896	1.9
83.01399	2.1
85.02943	2.5
96.96043	2.0
97.02970	2.8
107.01407	5.2
108.59830	1.6
123.00892	8.0
124.01675	4.1
125.02460	54.1
126.02788	4.9
137.02464	3.7
139.00383	3.2
140.01028	2.7
149.99567	4.4
151.00298	4.4
151.03940	2.3
164.04813	40.7
165.01910	2.0
165.05476	2.7
168.00624	10.1
169.01439	56.5
179.07150	39.3
181.05023	2.8
243.03125	1.9
243.06656	6.3
250.24945	1.9
313.05676	23.4
333.20712	3.0
334.21143	4.9
357.13519	4.4
358.13715	4.4
462.38440	2.3
471.13101	6.3
493.13544	100.0
494.13776	8.7
556.17059	20.3
557.12775	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	556.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.6
61.98835	100.0
62.48034	0.3
69.05896	2.3
77.14861	0.3
84.44560	0.3
98.21734	0.6
116.92893	1.2
117.92921	0.6
124.01633	0.3
125.02447	0.3
125.80090	0.3
164.04814	0.5
167.03558	0.5
173.06149	0.3
325.10870	0.3
332.19736	0.5
359.15179	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	10.2
61.98836	88.1
63.11692	2.6
63.43108	2.5
70.63539	2.9
78.95905	4.8
89.02440	3.8
101.02414	4.7
101.97520	2.9
117.92756	3.0
125.09712	9.8
141.01654	2.9
146.58415	3.1
161.02505	3.3
253.09279	13.1
277.21735	100.0
278.22000	6.0
279.23389	6.8
364.91235	3.4
385.70941	3.4
424.33228	11.3
443.33044	3.3
454.33887	4.2
457.31741	6.2
469.33078	3.7
470.33752	28.5
471.34576	29.5
472.35187	17.1
504.30933	6.2
556.32635	84.1
557.34930	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	556.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55537	1.1
54.77922	1.2
59.01395	3.1
60.04700	1.3
60.15669	1.2
61.98835	13.0
68.29287	1.2
69.00457	7.6
69.00859	1.9
71.01383	3.3
75.45860	1.2
76.84146	1.2
89.02451	3.2
101.02453	2.4
235.08247	1.7
253.09288	16.9
277.21716	100.0
278.22214	4.2
279.23389	1.7
323.14792	1.3
371.44595	1.5
461.26563	1.5
471.34766	2.4
556.32465	10.8
557.34613	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	556.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89918	0.6
59.01381	1.1
61.43486	0.6
61.98833	100.0
69.74186	3.0
69.78248	0.6
78.95930	1.8
83.00592	0.6
85.46893	0.7
100.74213	0.6
111.02172	0.6
114.18805	0.7
125.09714	0.8
139.66165	0.7
173.11887	0.9
183.49846	0.7
191.56932	0.8
224.06915	0.9
279.23306	7.5
400.17285	0.7
424.33075	3.1
443.30627	0.7
470.33557	5.4
471.34830	19.8
472.35260	9.6
474.36368	1.5
504.31180	2.9
506.31747	0.9
556.32526	65.8
557.31976	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	556.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
71.28571	0.7
81.15526	0.5
97.06600	0.5
99.00865	0.5
106.90651	0.5
116.92844	0.6
125.09711	0.5
159.45650	0.5
269.31882	0.5
274.14417	0.5
281.87698	0.5
293.34366	0.5
471.34967	8.8
472.35013	3.3
485.36557	0.7
556.32556	80.8
557.33038	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	556.326
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35588	0.7
61.98834	100.0
65.31703	0.7
79.54919	0.7
80.15186	0.8
99.00918	1.7
145.26724	0.7
167.10562	0.8
229.29869	0.9
250.12070	0.7
455.35464	1.8
456.35678	0.9
471.34839	18.3
472.35101	8.0
556.32391	66.7
557.32745	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	556.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
71.30025	0.6
78.95910	1.0
84.51133	0.5
99.92513	0.6
115.92099	2.2
118.77829	0.5
121.08331	0.5
130.05241	0.5
183.57344	0.5
275.20630	0.5
287.22049	0.7
379.86035	0.5
471.34805	17.3
472.28812	0.9
472.35141	7.5
473.35938	0.6
556.32507	60.4
557.32916	7.5
557.44275	0.7
575.29144	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.6
61.98834	100.0
75.75995	0.6
102.60395	0.5
125.09716	0.7
143.46480	0.5
159.30841	0.5
159.32494	0.5
163.68579	0.6
173.11740	0.5
451.33282	0.5
453.33130	0.6
471.34833	9.0
472.35416	2.9
556.32562	81.8
557.33160	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	556.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92336	16.5
61.98836	66.1
69.07731	15.0
69.55271	53.1
75.22601	16.1
78.53558	14.6
97.01286	14.6
104.44595	14.5
114.35506	14.4
117.91927	21.4
127.91084	16.8
151.64165	14.7
215.65155	17.8
278.25247	14.4
301.37415	17.8
453.33551	22.9
455.34290	16.0
556.27118	100.0
556.36249	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.9
59.01384	100.0
61.98839	23.7
71.01426	1.4
71.28568	1.8
73.02951	3.1
83.01386	11.0
91.04013	3.1
99.00840	1.3
101.02453	3.5
101.30344	1.4
108.46222	1.3
111.06554	1.3
113.36190	1.3
115.92081	5.0
119.03532	2.0
147.96446	1.3
157.05034	2.1
175.06085	8.2
193.07211	5.0
232.83604	1.4
279.23312	47.9
280.23859	2.0
287.22379	1.5
329.93524	1.4
436.88879	1.4
437.29114	6.2
455.30115	37.8
455.34995	2.4
456.30106	2.1
466.42102	1.6
471.34906	8.8
472.35257	3.1
497.31250	4.2
556.32330	22.3
557.33984	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	557.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51906	1.1
59.01377	3.2
68.99818	1.5
69.00115	5.2
69.00532	6.4
71.01369	4.9
73.02912	1.3
74.54385	1.4
85.02962	1.7
87.00861	2.5
95.01363	2.7
96.96003	2.5
98.95616	3.1
101.02426	2.7
107.01423	9.8
109.02952	2.2
111.00868	2.4
113.02424	2.3
116.60957	1.2
123.00896	13.4
124.01622	1.8
125.00676	2.7
125.02456	69.1
126.02715	1.3
136.98769	1.5
137.02464	2.7
138.98647	12.5
139.00349	6.6
139.03970	1.5
139.99405	25.8
140.01132	4.0
141.00154	3.0
151.00368	11.3
153.01955	2.7
154.00951	14.6
155.01733	21.6
161.02400	1.5
166.99861	1.3
167.03516	1.9
168.00653	4.7
169.01445	100.0
170.01709	1.4
177.01978	1.6
183.03011	3.4
211.02440	2.7
229.01334	1.5
241.03438	2.4
243.03322	1.9
249.03947	1.4
271.04688	2.1
300.99899	3.1
313.05664	38.6
314.06158	1.5
317.07074	8.1
327.07367	2.1
405.08682	8.8
405.17563	1.7
406.08319	1.3
419.32623	1.3
440.15298	1.3
469.08139	73.9
470.08325	4.5
533.13708	1.4
549.79694	1.5
557.09570	93.7
558.10022	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	557.115
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	7.9
60.99314	16.6
66.10355	1.8
69.11510	5.3
69.11936	7.0
71.01377	7.6
85.02975	3.3
88.98814	100.0
89.02432	1.7
96.96021	3.3
101.02443	4.5
107.01389	5.0
108.02124	1.8
109.02968	4.8
110.46783	1.8
111.00898	2.1
113.02453	3.0
121.02967	2.1
123.00896	18.3
125.02468	28.4
136.79279	1.6
136.98874	2.6
137.02483	3.8
138.03249	7.7
139.00380	4.6
140.01151	2.1
151.00409	7.0
153.01898	2.8
161.02553	2.2
165.01813	2.3
167.03436	2.5
168.00674	3.6
169.01427	38.4
177.01938	6.6
183.03008	2.2
194.46637	1.7
211.02480	3.3
229.01439	3.7
231.02954	2.2
249.03848	2.2
257.00858	2.1
269.04614	2.0
269.10315	2.0
275.01874	8.5
298.87997	1.9
299.11517	2.1
301.00009	8.2
313.05682	6.0
336.35849	1.6
405.17554	9.1
467.12009	84.1
468.12436	3.6
481.39847	1.6
557.18787	16.0
558.18811	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	557.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24060	0.8
57.52087	0.9
59.01373	1.7
71.01377	3.2
85.02963	1.1
95.01386	1.8
97.02942	1.5
107.01393	6.6
109.02985	1.0
111.00899	2.0
113.02456	1.1
121.03007	1.6
123.00903	9.3
125.02464	38.5
134.78383	0.9
135.04546	1.2
136.98883	1.0
137.02466	1.3
139.00414	5.1
140.01149	1.9
150.03253	1.8
151.00325	5.8
153.01907	1.2
159.04504	7.2
161.83170	0.8
165.05597	1.2
168.00688	1.9
169.01440	47.1
173.06026	1.3
175.07646	1.9
184.95374	0.9
199.07658	2.3
201.05579	8.6
211.02400	1.3
218.95198	1.1
225.05647	2.2
241.05081	1.4
243.06631	84.0
244.06978	2.4
276.67038	1.0
313.05634	10.3
343.11768	1.1
405.11911	7.4
483.14261	1.2
557.12964	100.0
558.13483	10.0
574.82544	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1304
Annotation	3,3',4,5'-Tetrahydroxystilbene 3'-O-beta-D-(6''-O-galloylglucopyranoside)
Peak:m/z	Relative Intensity
56.15730	1.0
59.80451	1.2
62.56392	1.0
71.01377	2.5
73.82524	1.1
79.01881	1.5
81.70504	1.2
84.21066	1.2
89.92805	1.1
95.01365	1.5
100.12281	1.2
107.01398	7.8
123.00885	6.8
125.02458	34.1
139.00391	1.5
140.01146	1.4
151.00394	5.2
159.04547	11.0
167.03584	1.3
168.00648	1.9
169.01442	51.4
173.06087	2.0
175.07654	3.8
181.06674	2.3
185.06091	1.6
186.62993	1.2
199.07640	4.1
200.04898	1.9
201.05591	9.9
225.05661	2.8
243.06639	87.8
244.06937	5.0
253.03838	1.3
264.71075	1.2
310.21027	1.6
313.05661	42.6
314.06107	1.7
404.56741	1.5
405.12259	2.3
557.13043	100.0
558.13403	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	557.1303
Annotation	3,3',4,5'-Tetrahydroxystilbene 3'-O-beta-D-(6''-O-galloylglucopyranoside)
Peak:m/z	Relative Intensity
51.59129	0.2
55.01871	0.4
59.01388	1.4
59.21622	0.3
61.98838	0.3
65.00320	0.3
67.01882	1.2
68.99822	0.5
69.03460	4.8
69.04073	0.3
69.72956	1.2
71.01388	4.4
72.99306	0.4
73.02968	0.6
74.85975	0.3
75.53998	0.3
79.01900	2.4
81.03450	1.1
83.01379	0.9
85.02945	2.0
87.00896	0.4
89.02470	0.3
89.66405	0.2
93.03481	0.4
95.01399	3.2
97.02962	3.2
99.00887	0.4
101.02453	1.1
105.43980	0.3
107.01395	15.4
108.02192	5.3
109.02957	7.7
110.00092	0.3
111.00894	2.1
113.02451	1.4
121.02966	3.5
123.00890	11.5
123.04498	0.4
124.01690	1.3
125.02454	68.4
126.02808	1.1
127.00381	1.1
133.02951	0.3
134.03773	0.4
135.00870	1.7
136.01601	0.3
136.98822	1.1
137.02460	6.0
139.00381	5.0
139.04019	0.4
139.47562	0.3
140.01172	4.1
141.01913	1.0
142.60521	0.2
149.02423	0.8
151.00372	10.5
151.04053	0.4
152.01166	1.7
153.01945	7.3
154.02640	0.5
161.02501	0.4
163.03979	0.4
165.01935	0.6
165.05557	0.3
166.06384	0.9
166.99860	0.4
167.03500	0.6
168.00641	6.6
169.01433	75.4
169.06601	1.2
170.01743	1.4
177.01938	0.7
179.03481	0.6
179.07019	0.4
181.01317	0.5
181.08640	0.6
193.01395	0.5
195.03020	0.5
197.06087	6.1
198.06680	0.3
211.02519	2.3
213.05615	1.5
215.07117	1.0
223.02478	0.6
241.03429	2.2
242.05849	2.2
243.06642	4.3
249.64604	0.3
253.03593	0.9
271.04581	0.3
297.06247	1.7
299.02090	0.4
312.04874	1.2
313.05676	26.5
314.05991	0.8
315.07291	0.3
335.22250	0.9
403.10349	1.4
403.15216	0.3
422.08551	1.9
449.07251	4.0
449.81793	0.3
466.07584	2.5
477.09653	0.3
508.60507	0.3
527.22980	0.3
557.13007	100.0
558.13434	7.6
558.21912	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.144
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28633	10.4
53.61869	10.2
57.03465	11.8
59.01389	51.4
61.98835	80.5
71.01382	30.1
75.83952	10.8
81.26021	11.6
84.90941	10.6
89.02481	51.5
96.23914	9.1
96.96040	12.7
98.22558	18.3
99.00861	12.3
101.02454	16.6
109.02999	13.0
115.69933	9.7
121.02970	95.5
123.04516	9.9
125.02465	60.2
137.02469	12.5
149.02477	17.9
149.04549	16.3
150.03172	59.8
151.04070	10.6
164.04855	20.2
165.05598	91.0
167.03535	13.6
167.07141	28.6
169.01447	32.4
179.07158	17.7
195.06627	45.2
233.06691	22.0
272.10016	12.2
293.08759	100.0
313.05783	12.8
335.22229	30.9
361.16592	17.9
393.29675	10.7
415.12280	15.0
557.13593	30.3
557.22882	52.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
58.09647	0.9
59.01394	1.0
62.65819	0.9
70.28095	0.8
71.01373	3.3
79.01883	1.1
83.01414	1.0
83.38979	0.9
94.72793	0.9
98.21762	2.7
101.02460	1.4
107.01390	8.6
109.02985	0.9
111.00873	1.6
113.02456	1.1
123.00908	7.6
125.02458	46.7
125.50578	0.9
136.98831	1.3
137.02455	3.6
139.00351	3.6
140.01144	2.3
151.00439	4.7
160.93523	1.1
165.01959	9.1
166.02650	2.8
168.00636	3.9
169.01436	58.6
170.01877	1.3
180.04329	5.3
181.05046	5.2
183.03011	3.5
195.06648	8.5
229.18828	1.0
241.03561	1.5
275.01971	1.1
300.99969	2.7
313.05667	19.5
327.07233	2.0
381.46976	1.0
388.74985	1.1
429.46622	0.9
500.22400	1.0
540.89807	1.0
557.15112	100.0
558.15466	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	557.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64057	1.0
55.26099	1.0
58.96109	0.9
64.08274	0.9
68.55898	0.9
69.42029	2.5
69.42417	2.2
70.28109	1.0
71.01386	3.9
81.83937	1.1
85.02969	1.0
88.98808	1.9
95.01379	1.3
101.02459	1.9
101.16457	1.0
107.01408	8.3
111.00896	1.9
123.00915	8.6
125.02463	53.0
127.00372	1.1
136.98808	1.3
137.02463	3.0
139.00392	3.4
140.01193	2.6
141.53728	1.0
151.00403	4.6
153.01852	1.2
165.01938	11.8
166.02705	2.0
166.99739	1.2
168.00664	5.3
169.01442	66.7
170.01810	1.1
177.02063	1.0
180.04274	6.4
181.05106	4.5
183.03012	2.0
195.06619	9.2
211.02713	1.5
241.03619	1.3
250.65247	1.2
297.06366	1.5
300.99866	4.4
313.05676	20.6
327.07217	1.9
557.15143	100.0
558.15350	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	557.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.7
57.85798	1.5
58.97440	1.7
59.01385	13.9
60.99315	17.6
61.98825	6.3
71.01381	4.1
71.28757	2.3
73.02985	1.9
77.40483	1.4
85.02955	3.8
88.98813	100.0
89.02442	2.0
89.99152	2.2
94.39973	1.6
96.95977	1.6
101.02451	2.6
109.02985	1.7
111.00905	2.2
113.02456	3.1
123.00881	4.7
123.04538	2.6
125.02472	9.6
134.03685	2.1
139.00366	1.7
139.11299	2.1
146.26520	1.9
148.90883	1.6
151.00389	4.3
155.07162	1.6
160.13675	1.4
163.04062	1.4
164.04779	2.8
168.00658	2.4
169.01463	11.6
179.05650	1.8
179.07193	4.0
183.10246	2.3
193.05246	1.6
211.02599	3.6
261.07916	2.5
271.04599	1.4
274.76462	1.7
335.22482	3.1
359.14926	4.3
463.24533	1.7
467.19235	62.8
468.19592	4.0
557.08759	2.6
557.29883	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	557.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70097	1.6
56.37215	1.7
57.03447	2.4
59.01383	16.0
60.99303	17.4
61.98823	10.6
69.38326	7.6
69.38732	4.0
71.01377	9.0
74.52296	1.5
81.80607	1.8
85.02981	2.0
87.00874	1.7
88.98814	100.0
89.02435	3.7
98.22608	1.9
101.02457	4.3
109.02905	2.9
111.00874	3.1
119.03542	2.4
123.00916	8.3
123.04510	2.6
125.02470	13.6
128.34406	1.8
134.03755	13.3
139.00369	3.6
139.03986	2.0
140.01143	2.5
149.02510	2.0
151.00363	6.3
153.01855	2.3
161.02466	1.9
163.04024	4.1
164.04811	7.9
167.03519	2.1
168.00607	2.4
169.01469	11.7
175.03957	3.5
179.05719	2.6
179.07118	11.7
185.11787	1.8
193.05008	9.4
195.06642	4.0
209.08118	2.6
209.25922	1.8
211.02480	2.2
218.05867	3.1
233.08179	10.8
245.67134	1.8
261.07745	14.9
271.04626	2.6
301.60532	1.8
335.22232	3.7
359.15097	14.0
381.11996	3.9
390.56543	1.7
399.08011	1.8
467.19263	67.7
468.19394	5.6
557.16571	4.1
557.30078	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	557.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06612	1.1
55.57095	1.2
59.01122	1.6
59.01384	14.9
59.51570	1.0
71.01383	7.4
79.31757	1.2
85.02960	1.3
86.45027	1.1
89.02462	6.3
94.01937	1.1
101.02451	3.3
107.01394	4.4
111.00875	2.3
113.02454	2.5
119.03484	1.6
123.00871	2.8
124.01724	1.8
125.02457	26.2
136.98807	3.0
137.02400	1.4
139.00385	2.6
139.04031	1.3
140.01138	3.3
151.00377	1.6
157.01613	1.0
163.11314	2.1
167.03508	1.8
168.00656	16.0
168.99982	2.1
169.01440	37.4
181.12352	13.7
211.02495	58.2
212.02878	3.0
225.11334	22.7
271.04608	100.0
272.04987	4.0
331.06689	23.4
405.17731	19.0
416.53036	1.2
492.85574	1.2
557.18805	60.0
558.18823	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	557.188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68166	0.6
58.33025	0.6
58.73410	0.6
59.01382	5.9
61.98836	7.3
69.03451	3.3
69.07430	4.2
71.01363	2.2
71.54567	0.8
73.02960	1.2
74.82450	0.7
79.01920	1.1
81.03468	1.3
83.01369	2.6
85.02944	1.3
88.98795	1.1
89.02466	0.9
95.01366	2.1
96.96021	1.0
97.02940	2.7
101.02434	1.3
107.01389	2.4
108.02151	0.8
109.02972	1.6
113.02439	0.9
121.02939	1.3
122.03706	1.3
123.00911	9.3
123.04514	1.5
124.00759	1.0
124.01675	22.5
125.02458	55.5
132.84753	0.7
137.02463	3.2
138.03279	0.9
139.00323	1.6
139.04039	1.0
139.11256	3.0
149.02380	1.3
149.99600	30.9
150.03235	6.5
151.00383	4.1
151.03990	0.9
153.50121	0.7
154.02718	0.8
165.05559	7.1
167.03473	1.9
168.00653	60.4
169.01436	11.4
177.01935	0.9
179.03545	0.9
179.07118	0.8
181.12387	1.5
183.10234	2.8
195.06624	3.6
225.11293	1.9
230.43002	0.6
243.12189	1.1
261.64877	0.7
271.02313	1.7
275.09247	2.0
300.02661	0.8
313.05676	1.4
353.82571	0.7
361.16580	2.2
361.31143	0.7
392.61658	0.7
405.21307	1.0
407.97513	0.6
416.84644	0.7
495.18369	1.9
495.85968	0.7
497.16330	2.0
509.21848	2.5
513.19849	2.2
523.44153	0.7
545.30255	0.9
557.18665	100.0
558.19006	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	557.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01098	1.8
59.01382	26.8
61.98825	3.0
62.30664	0.9
63.14879	1.0
64.72569	0.9
71.01391	19.2
71.28293	1.2
72.99314	1.8
73.02924	1.1
74.62231	1.2
83.01416	2.0
85.02948	3.7
89.02451	11.5
95.01380	2.4
97.02944	1.9
101.02457	10.3
107.01405	6.1
108.02178	2.0
108.05721	1.0
109.02967	1.4
111.00890	1.7
113.02468	6.2
119.03532	5.1
123.00918	8.9
123.04545	2.2
124.01674	1.4
125.02465	25.0
137.02419	2.4
139.00362	4.2
139.03979	1.2
139.11267	1.0
140.01144	2.8
151.00462	4.9
153.01965	1.1
153.12843	2.2
160.81439	1.2
161.04539	1.3
164.04771	2.3
168.00673	6.4
169.01440	31.4
179.05634	1.1
185.11841	19.7
193.08693	3.7
199.13376	3.1
209.08263	1.7
211.02490	15.5
211.09995	1.1
225.15114	1.3
227.09265	2.7
265.03619	1.3
271.04599	17.2
313.05771	3.0
325.05603	3.5
325.90784	1.2
335.18640	2.0
335.22321	16.9
371.13318	1.1
389.14520	9.4
405.21234	9.0
441.07864	1.3
521.33344	2.6
539.21088	2.9
557.13159	6.3
557.22302	100.0
558.14526	1.6
558.22571	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	557.2243
Annotation	Yadanziolide U
Peak:m/z	Relative Intensity
50.33589	0.3
57.03449	0.8
59.01127	0.4
59.01387	4.4
67.01884	0.8
70.40690	1.1
71.01394	3.1
72.99324	0.5
73.02930	0.4
79.01882	0.9
83.01419	0.4
85.02940	1.3
87.00915	0.4
89.02469	1.4
95.01402	1.5
96.95998	0.5
97.02972	0.8
101.02449	1.4
107.01395	3.4
109.02969	0.5
111.00895	2.3
113.02460	1.0
119.03529	0.4
121.02983	0.5
123.00891	11.0
124.01674	0.7
125.02459	18.1
126.02839	0.4
127.00474	0.4
135.08173	0.4
136.98831	1.2
137.02393	0.5
139.00386	4.1
139.99435	0.4
140.01181	2.5
141.01953	0.9
149.02454	0.5
149.09740	1.1
151.00378	8.0
153.01968	0.6
153.09229	0.7
163.04059	0.5
165.01985	0.6
167.03523	0.8
167.10760	0.7
168.00655	4.3
169.01436	22.8
170.01779	0.7
177.01936	0.8
179.03606	0.4
193.01433	0.4
197.91766	0.3
203.03502	0.5
206.60437	0.4
211.02489	10.6
223.15735	0.4
253.03664	0.4
271.04626	10.4
275.01953	0.9
300.99982	1.2
313.05762	1.5
315.05087	1.3
371.77951	0.4
405.17526	0.8
469.08051	0.4
481.17151	0.8
539.21472	0.8
557.22449	100.0
558.22736	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	557.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42637	0.9
55.01863	1.8
57.03439	1.3
58.00596	0.9
59.01096	1.2
59.01382	19.1
61.98818	4.0
67.01875	1.6
67.65026	1.0
68.27752	1.1
69.03456	1.2
71.01382	12.9
71.28242	1.3
72.99297	1.7
73.02934	4.6
83.01398	2.5
85.02961	5.0
85.06564	2.1
85.51368	0.9
87.00873	1.0
87.04532	4.9
89.02441	9.0
95.01385	3.1
98.02657	0.9
99.00893	2.9
101.02462	10.1
107.01397	4.0
109.02983	1.7
111.00895	2.1
111.04487	0.9
113.02454	6.7
119.03495	3.7
123.00923	8.9
123.04516	1.4
124.01660	1.1
125.02465	15.8
128.72118	0.9
136.98813	1.0
137.02443	1.7
139.00394	3.6
139.11371	1.2
140.01131	2.4
141.01872	1.3
151.00381	4.4
155.14398	4.3
161.02505	1.0
161.04633	1.7
164.04761	1.4
165.05511	1.0
165.09160	1.1
167.03571	1.1
168.00648	4.0
169.00052	1.4
169.01440	17.9
179.07133	2.1
181.12389	1.2
181.16032	1.8
183.10246	1.9
199.13419	12.5
209.08221	2.6
211.02483	2.7
211.64182	1.0
214.63702	0.9
225.14902	2.9
235.46677	0.9
242.44656	1.0
243.06302	1.1
271.04486	2.2
275.02084	1.1
300.99728	1.5
326.77661	1.0
330.47510	1.1
357.26227	1.1
359.14896	1.9
405.21301	22.9
406.21396	1.2
442.51486	1.1
510.26816	1.0
511.26883	2.3
539.21387	3.5
557.22363	100.0
557.29303	5.7
558.22815	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	557.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	7.7
60.99309	1.1
69.28330	6.4
71.01387	4.1
72.99322	1.0
88.98818	6.6
89.02461	2.9
91.24240	0.9
95.01390	2.9
96.20496	1.1
96.96040	2.9
98.84573	1.0
101.02461	1.3
107.01420	4.5
108.02173	1.7
109.02967	2.8
111.00938	1.7
113.02450	1.9
123.00896	11.9
123.04547	4.5
124.01675	1.9
125.02460	27.8
125.03347	1.8
127.00378	1.2
136.98805	1.8
137.02484	2.9
139.00417	4.2
139.04070	2.1
140.01164	3.5
146.03741	1.0
149.02536	1.5
150.03255	2.1
151.00346	6.6
153.01965	1.2
153.05608	4.6
161.02469	1.2
163.04041	1.1
165.01970	2.5
167.03514	3.8
167.10788	1.2
168.00682	7.9
169.01443	34.8
170.01826	1.5
172.83873	1.2
175.03995	1.2
176.09705	1.1
177.01973	4.3
193.01595	1.2
203.03520	1.2
211.02483	23.8
211.04355	2.0
229.01532	2.1
231.03004	1.8
249.04213	2.6
257.01068	1.5
271.04642	22.7
275.02060	8.3
300.99863	10.7
313.05774	4.6
405.17725	2.5
457.32080	1.1
467.11880	13.0
469.08386	1.2
521.00177	3.6
539.20380	1.4
552.99579	3.2
556.98077	3.0
557.22516	100.0
558.23138	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	557.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.9
61.98822	1.7
65.85581	1.0
69.15388	2.2
69.15784	7.2
84.27938	1.0
93.03451	4.8
108.02189	2.4
109.02963	6.3
121.02969	20.1
122.03754	17.5
123.04555	4.3
124.01680	2.2
125.02471	1.6
129.03563	1.6
132.02191	3.6
133.02979	17.3
134.03745	9.6
135.04549	3.3
136.05252	1.5
137.02440	3.2
145.02951	7.6
146.03755	3.6
147.04536	14.6
149.02463	34.3
149.06064	11.1
150.03238	71.2
151.00446	1.3
151.03944	2.1
154.02731	3.8
159.04581	1.4
161.02274	1.3
161.06093	4.4
161.34996	1.1
162.03262	1.5
164.04785	7.8
165.05580	84.8
166.05927	2.5
169.01445	3.7
169.99168	1.2
173.06041	1.4
175.07692	1.3
177.05580	3.4
179.07137	10.4
180.04268	2.4
187.79932	1.3
195.04860	1.3
195.06647	23.2
203.98532	1.4
243.06538	2.2
283.09802	1.8
297.11575	1.4
315.12164	2.4
329.13898	3.3
335.22552	3.1
346.14087	6.0
347.15012	10.4
361.16559	49.0
362.16925	2.4
380.95071	1.3
407.19769	1.4
415.17957	7.5
463.17929	1.7
509.21829	100.0
510.22324	8.5
521.21887	8.7
539.22803	6.7
557.12592	1.5
557.23529	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	557.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08045	1.1
58.07206	1.3
59.01381	2.1
60.19773	1.1
61.98838	13.7
69.46730	2.7
69.47109	5.8
79.92322	1.2
88.98827	1.1
93.03466	3.1
98.21790	1.5
98.78748	1.2
106.10919	1.2
107.27245	1.2
107.88802	1.3
109.02933	2.4
121.02975	13.6
122.03760	17.3
123.04542	4.1
124.01660	2.9
125.02450	5.2
132.02193	2.1
133.02948	3.8
134.03705	1.9
136.01605	2.5
137.02490	2.3
145.02951	4.6
146.03799	1.3
147.04491	4.8
149.02440	18.4
149.06038	3.6
149.99591	3.0
150.03241	78.4
151.03918	3.9
159.04538	1.5
161.02316	1.5
161.06114	2.7
164.04822	6.2
165.05585	100.0
166.05907	3.2
168.00639	4.4
169.01457	1.2
174.72899	1.3
175.07536	1.1
177.05592	2.7
179.07108	4.1
180.04274	5.6
181.05077	2.0
195.06641	53.0
243.06639	10.4
244.07024	11.3
245.07159	6.6
265.19183	1.4
273.70517	1.3
329.14005	2.2
335.22333	2.9
346.14322	3.1
347.15094	3.6
361.16574	36.7
362.16852	3.2
415.17700	3.5
509.21848	33.4
510.22119	5.0
521.21869	3.6
539.22565	2.9
557.17194	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	557.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98816	2.8
68.98848	5.5
68.99271	5.0
83.32208	1.1
88.98832	1.2
93.03462	4.1
95.05003	2.1
96.38697	1.2
121.02962	25.6
122.03759	8.9
123.00914	1.2
123.04536	2.2
125.02429	2.3
132.02225	1.3
135.04536	2.3
147.04584	1.5
149.02451	100.0
150.03244	53.1
151.03777	1.3
164.04793	16.5
165.05574	45.9
166.06363	63.6
167.07149	14.3
169.01450	2.3
180.04312	4.2
181.08708	49.2
182.09021	1.9
195.06631	25.0
200.74677	1.2
283.09662	1.7
312.09979	4.5
313.10886	7.5
315.05127	1.2
327.12405	16.6
328.13046	2.2
386.31824	1.2
494.19565	2.3
509.21829	86.0
510.22287	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56849	0.4
51.35098	0.4
55.74328	0.4
59.01385	0.9
59.70504	0.3
61.98841	3.4
69.05302	3.0
78.95883	0.5
83.04996	0.4
87.68237	0.3
97.06593	0.5
99.00917	0.4
99.92587	21.9
100.92632	0.6
100.93375	1.9
115.92079	44.3
116.92126	1.0
116.92867	2.8
125.09731	1.1
187.09691	0.6
238.79121	0.4
266.02567	0.4
285.20651	0.4
313.23804	0.6
391.79831	0.4
391.84625	0.5
393.31854	0.4
409.31171	2.1
411.32678	1.1
457.33096	4.0
459.33710	1.8
529.22894	0.7
539.24652	6.4
540.25391	0.4
542.23755	0.7
557.25739	100.0
558.26001	12.6
571.23645	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	3.9
59.01389	3.6
61.98825	2.5
66.12779	0.7
68.99802	1.5
69.03471	1.3
71.01392	4.0
72.99303	1.1
73.02933	1.0
78.85722	0.7
83.05028	7.0
85.02978	1.1
89.02481	3.6
95.05038	2.2
97.02959	2.0
97.06621	1.4
98.21818	2.0
99.92600	1.5
102.88071	0.8
105.93292	0.7
108.02168	0.9
109.06607	5.0
111.04520	2.3
111.08158	2.0
113.09721	4.3
115.92078	2.3
116.92869	3.1
123.04559	2.0
123.08170	0.8
124.05313	1.0
125.02456	3.6
125.06106	1.7
125.09713	3.0
127.07593	0.8
135.08212	1.4
135.11790	1.6
137.09709	0.8
139.07654	1.2
145.10208	1.4
148.77516	0.8
151.07661	0.9
152.30376	0.8
153.09238	3.8
163.07700	0.8
163.11296	4.8
165.09236	1.7
171.10297	1.1
177.05710	0.9
179.07169	2.7
179.10857	0.8
181.08722	37.5
182.08960	1.5
183.06552	1.5
187.09726	1.6
187.14946	4.7
195.06622	1.7
201.11121	0.7
205.12349	1.5
207.10301	0.8
209.08264	1.0
218.08218	0.7
223.13406	2.2
225.07675	1.1
233.15413	3.3
233.94908	0.7
235.13333	1.1
244.21033	0.8
249.07813	0.8
277.14465	4.4
293.14087	1.2
321.13431	100.0
322.13800	5.2
421.31366	0.9
467.32019	1.3
470.33728	0.9
471.29379	1.5
485.32950	1.5
489.35901	3.6
539.32501	1.0
557.27423	18.8
557.34375	11.2
558.27747	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.6
57.03448	2.5
57.70912	0.6
59.01382	47.9
61.98837	3.3
69.41656	0.7
71.01383	7.7
72.99284	1.0
73.02950	2.3
79.95750	3.1
82.40017	0.7
83.01382	0.9
83.05018	1.0
85.02957	3.2
86.29891	0.7
88.98795	0.9
89.02457	1.6
95.01363	1.1
95.05019	0.9
96.96033	1.4
97.02951	1.1
99.00951	0.8
101.02456	5.1
109.02990	1.5
111.04527	0.9
113.02456	2.9
113.09763	1.3
118.83790	0.7
119.03493	0.8
123.04547	1.9
125.02457	8.2
129.53366	0.7
135.04527	1.0
137.00548	0.6
137.02469	1.8
139.11311	12.6
151.04015	2.3
161.02477	1.3
161.04533	1.3
163.11226	0.7
164.04770	1.1
165.01941	3.5
165.09322	1.2
179.03479	1.3
179.07150	1.4
180.04332	2.7
181.08739	7.4
181.12343	6.6
183.10262	16.7
195.06618	4.3
225.07671	2.5
225.11394	2.3
243.12405	1.8
277.14371	1.1
317.69263	0.7
467.19131	1.1
472.27158	0.8
513.29236	1.2
539.28693	4.7
557.17603	3.9
557.29730	100.0
558.29968	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	557.2965
Annotation	Tricalysioside N
Peak:m/z	Relative Intensity
55.01873	0.5
57.03454	1.3
59.01381	72.2
69.03165	2.8
69.03560	0.8
71.01379	4.6
73.02950	1.8
85.02962	2.5
85.08131	0.4
89.02451	3.6
95.05034	0.6
97.06655	0.4
101.02458	3.1
113.02477	1.8
119.03542	1.2
125.02435	0.5
137.09737	0.6
139.11296	16.0
139.12320	0.9
152.23244	0.4
154.36174	0.4
163.11296	1.2
164.24948	0.4
165.09256	0.9
169.12286	0.6
181.12363	7.8
183.10274	20.7
184.10568	0.6
195.13805	0.4
225.11237	3.6
243.12364	1.6
269.62921	0.5
287.52594	0.5
331.17883	0.4
539.28607	6.3
540.29065	0.6
557.29681	100.0
558.30084	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	557.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45625	0.2
59.01384	26.6
60.01743	0.2
70.33377	0.2
70.33739	0.4
71.01384	0.3
77.17335	0.1
89.02473	0.2
92.15176	0.2
101.02467	0.5
119.03514	0.4
161.04625	0.2
238.67522	0.2
335.22296	100.0
336.22644	4.9
347.79214	0.1
349.23871	0.2
377.23395	0.2
497.27689	1.7
557.29785	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	23.0
61.98814	0.9
63.83969	0.3
69.02209	2.9
71.01366	0.5
72.06810	0.4
75.89892	0.4
81.34658	0.3
93.03477	0.5
94.30380	0.4
101.02435	0.5
116.09532	0.4
119.03536	0.6
121.02958	1.2
122.03733	1.9
123.86406	0.4
125.02443	0.3
126.82532	0.4
137.02536	0.6
149.02455	4.2
150.03241	12.0
164.04858	0.8
165.05585	13.2
166.06371	3.4
167.07138	0.4
180.04330	0.8
181.08711	2.9
195.06639	8.9
277.18790	0.4
286.01266	0.7
327.12366	1.2
329.03088	0.7
335.22293	100.0
336.22589	5.9
344.05353	1.6
350.24088	0.4
359.07697	3.2
482.45236	0.4
497.27670	1.1
509.21790	3.5
557.29523	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97942	0.6
55.74298	0.6
59.01385	27.7
61.98838	17.5
67.01875	0.7
67.25076	0.7
69.03448	1.9
69.08138	2.8
69.08553	1.7
71.01395	3.0
73.02932	0.6
79.01865	0.9
93.03472	2.6
95.01411	1.7
97.02962	1.7
98.22588	1.2
101.02459	1.9
107.01403	6.1
108.02216	3.2
108.98349	0.6
109.02971	2.2
111.00887	1.1
111.79010	0.6
113.02416	1.3
119.03509	1.1
121.02979	6.3
123.00911	6.8
123.04548	1.1
124.01715	0.7
125.02459	30.0
126.02789	1.2
135.04521	0.7
137.02463	2.9
139.00389	3.8
140.01155	2.0
141.01985	0.6
149.02499	1.1
151.00394	4.7
151.04027	1.1
153.01945	2.5
161.02489	0.9
166.06364	1.1
167.03540	1.5
168.00677	3.1
169.01448	35.6
170.01738	1.9
179.03508	0.7
181.05075	1.0
181.08725	0.7
197.06114	2.6
201.05563	0.8
203.06955	0.6
209.04501	1.3
211.02512	1.3
223.02515	0.8
229.05009	0.9
241.03673	0.8
243.06674	3.3
273.04089	0.8
313.05737	12.9
314.06235	0.8
335.22308	100.0
336.22659	5.6
435.09402	2.7
449.07401	1.4
466.07608	1.1
497.27713	1.2
499.25793	0.7
557.13074	50.6
557.22852	2.6
558.13464	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	557.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10941	2.8
55.01878	3.5
59.01372	7.8
60.75076	3.2
61.98811	5.8
69.21998	16.2
72.99310	3.3
115.92078	4.3
146.96758	2.9
194.45992	3.2
216.85942	4.3
249.55898	3.6
304.81213	3.5
319.69284	4.2
332.96341	3.6
423.32657	13.6
439.32343	8.0
469.32892	5.6
483.31284	41.9
485.32745	100.0
486.33005	10.3
513.32147	10.5
529.31787	10.2
557.32361	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08884	1.9
57.03437	3.8
61.98834	3.7
63.28250	2.1
66.93784	2.1
69.03450	2.2
69.77084	7.4
69.77491	3.4
70.12845	2.2
71.01394	3.0
78.53876	2.3
79.77213	2.0
79.95734	3.0
80.02609	2.0
80.96526	18.3
81.95322	2.7
82.96106	16.9
85.75941	2.0
94.98090	4.9
96.96044	2.3
96.97677	3.3
97.06602	13.7
98.22439	2.3
99.00908	2.8
99.92570	3.5
103.99785	1.9
115.92115	2.4
116.92886	3.2
123.08170	9.7
123.20081	1.9
125.09737	83.4
151.38440	2.0
169.08769	4.0
187.09753	78.0
225.00781	3.2
227.00558	3.4
251.23807	75.0
261.13379	21.1
295.22803	37.4
295.25851	4.4
313.23889	72.6
314.24344	3.9
342.31848	2.4
343.94363	2.2
365.32730	2.7
374.82697	2.4
387.27438	12.9
471.25873	2.7
502.74600	2.7
530.12817	2.3
557.28644	53.1
557.36932	100.0
558.28796	4.6
558.37305	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	557.3698
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	3.3
61.98573	0.4
61.98841	5.1
68.99813	0.7
69.14874	2.8
69.15273	0.9
80.09898	0.4
83.04994	0.6
93.62291	0.4
97.02959	6.0
97.06600	1.0
99.00919	4.0
105.01952	0.5
109.06617	1.3
110.03709	1.2
111.04497	0.8
115.92023	0.4
123.04544	1.0
123.08200	0.7
125.09731	5.4
126.10070	0.5
127.11319	2.5
135.08209	0.9
136.05333	0.9
139.11290	0.6
140.15936	0.5
142.02724	1.7
143.10812	0.7
149.09676	0.6
151.07599	0.6
155.10777	1.2
157.12332	1.5
161.09720	0.5
163.11304	5.9
169.74130	0.5
171.10231	1.7
179.10776	0.9
179.95279	0.4
181.08847	2.6
181.12360	22.8
182.12712	0.5
183.06453	0.5
183.10361	0.7
187.09822	1.0
187.13417	0.5
190.03224	0.5
197.11813	1.5
199.13440	1.7
201.11356	5.7
207.10283	38.0
208.10628	1.3
215.12964	0.6
225.11343	46.6
226.11685	1.9
243.12398	2.0
295.22827	1.0
313.23846	8.1
314.24179	0.5
321.13531	1.6
329.23468	1.9
331.24924	32.0
332.25378	1.5
332.70355	0.4
398.13168	0.4
443.81696	0.4
472.31357	0.5
473.36517	0.8
477.35703	0.5
489.34729	0.6
495.36914	1.4
503.33673	0.5
521.34772	3.7
539.35931	100.0
540.36292	7.9
557.26953	1.3
557.37079	18.1
558.36896	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.2
61.98824	5.9
72.60334	1.7
82.96084	2.7
98.21757	4.3
101.02478	2.2
111.04555	2.6
209.08194	2.5
253.09349	13.5
279.23303	100.0
280.23526	5.2
281.24933	3.9
333.45807	2.2
403.18250	1.9
458.01086	2.3
558.28583	13.4
559.37109	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	558.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18246	1.8
56.77888	1.4
59.01384	3.4
61.98822	2.1
71.01379	2.4
72.57000	1.6
79.28351	1.5
80.96539	4.1
82.96114	10.6
85.02988	2.1
89.02450	1.5
95.73696	1.2
96.97675	2.0
98.21778	2.4
101.02481	1.3
111.04517	3.4
119.03463	1.6
122.98898	1.5
124.97158	1.3
161.04539	2.4
181.08757	6.2
209.08220	3.6
210.98891	1.4
225.07733	2.5
227.00525	1.6
253.09293	13.6
279.23300	100.0
280.23657	4.6
298.32709	1.5
321.09784	1.7
322.13644	2.2
558.28674	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76992	13.1
59.01369	31.8
61.98831	91.3
62.48665	15.2
71.01377	13.5
71.29691	16.8
93.40545	19.2
99.92596	18.5
111.08135	14.3
116.92921	26.3
128.21164	14.6
167.96904	15.6
473.32733	46.0
476.34564	38.2
558.35724	100.0
559.35742	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	559.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.6
59.01373	1.2
61.98838	0.3
67.01884	3.8
71.01382	0.8
85.02963	0.4
87.00883	8.1
87.27475	0.3
89.02439	0.5
96.96021	1.2
101.02440	0.4
102.98610	0.4
109.02977	0.8
111.00887	100.0
112.01229	1.6
113.02433	0.5
123.04495	0.5
125.02431	1.8
137.02425	0.4
149.02501	0.3
151.04042	0.4
152.01154	0.5
154.99918	0.5
161.02422	0.4
169.01381	0.7
173.00917	12.4
175.03915	0.4
177.01947	0.5
179.07219	0.3
201.79256	0.3
227.03508	0.3
243.02936	1.5
255.03033	2.2
256.03720	0.9
257.04669	0.4
269.04581	0.5
272.06815	0.3
283.02338	0.4
283.05106	0.6
285.04053	0.8
294.14001	0.3
389.06607	0.6
407.07700	4.7
408.08127	0.7
433.09335	0.4
559.12683	0.4
559.20740	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2371
Annotation	Cichorioside L
Peak:m/z	Relative Intensity
59.01368	1.3
60.22206	0.4
61.98837	2.5
63.77468	0.4
67.27156	0.4
68.74227	0.4
69.38248	0.4
71.01392	0.7
72.15871	0.4
72.99318	1.1
73.02978	0.5
75.00881	0.5
78.95907	0.7
81.26710	0.4
83.05026	0.5
96.96954	0.7
99.00874	0.7
99.92596	23.5
100.92679	1.0
100.93366	3.4
111.04570	0.6
111.08195	0.5
115.92087	37.9
116.92104	1.1
116.92867	8.4
125.09681	0.8
132.92368	0.6
137.09525	0.4
169.93117	0.7
173.11864	0.6
181.08745	1.2
183.06609	0.9
187.09755	1.1
195.06595	0.7
201.11334	0.8
209.08188	0.7
225.07686	0.9
313.23865	0.5
331.24933	1.6
381.28162	0.7
383.29636	4.7
384.29477	0.5
415.32349	0.6
429.30185	3.0
439.32227	0.5
457.29468	0.5
459.31177	2.4
461.31976	1.4
485.32782	0.9
487.34933	1.5
497.23843	1.8
511.22043	0.8
512.22406	1.5
515.24811	7.4
516.24518	0.6
529.22662	12.8
530.22815	1.8
537.98059	0.5
541.21918	0.6
559.23730	100.0
560.24054	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	559.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57094	2.2
59.01382	7.8
61.98823	7.2
71.28475	3.3
71.28818	3.4
75.00870	8.7
99.00900	2.8
111.08174	2.8
116.92875	4.8
129.52251	2.5
379.30106	8.2
395.33176	15.9
398.09387	2.7
413.34335	5.0
423.28894	14.8
439.32172	31.2
457.33191	24.0
479.31702	14.8
483.31073	11.7
487.33823	4.5
501.32269	100.0
502.32507	9.7
523.30432	66.2
524.30829	8.9
533.18085	2.9
559.27466	67.1
560.28381	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	559.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61180	0.4
65.03962	1.2
66.50290	0.5
71.27826	0.5
93.03465	74.6
94.03825	1.3
102.88715	0.4
108.81414	0.5
137.02455	100.0
138.02823	1.5
189.97501	0.5
269.43304	0.5
277.21841	1.5
493.04111	0.6
511.47748	0.5
559.28705	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	6.5
61.98814	7.1
63.31597	1.9
69.68159	7.8
71.01382	1.7
78.95918	5.9
99.92616	2.4
117.56245	1.6
152.99586	3.1
168.04265	2.0
215.54506	2.0
222.49812	1.8
242.07951	5.0
252.53220	2.0
277.21741	100.0
278.22153	6.2
331.24756	2.0
406.71970	1.9
439.32037	3.0
441.33948	5.3
485.32880	5.0
502.29480	32.9
515.36560	2.0
559.25269	5.7
559.37115	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	4.9
59.01370	2.3
61.98839	6.7
71.01368	1.6
75.00880	11.3
78.95905	5.0
81.03473	1.2
83.05038	12.2
89.02451	1.5
97.06573	0.9
98.21699	1.3
99.00894	3.7
109.06596	3.8
111.04514	1.7
111.08170	73.9
112.08537	1.4
115.92057	1.6
116.92854	5.6
125.06073	0.8
125.09742	4.3
127.11349	1.4
129.09230	3.7
145.08781	0.9
152.99615	4.6
155.10736	0.9
157.12398	1.0
171.10318	1.6
173.08199	33.4
181.08702	2.5
183.06670	1.4
183.14035	0.8
187.09813	1.0
195.06602	1.1
207.06870	0.8
209.08194	4.0
211.13387	7.4
279.08755	1.0
313.23871	9.3
329.23438	1.1
331.24899	25.4
347.12787	2.4
365.13739	0.9
370.50613	0.9
407.31226	0.9
423.32947	1.4
425.34088	1.1
439.32224	1.3
459.33414	5.9
469.31915	4.7
474.36752	2.3
483.33591	5.8
487.32803	100.0
488.33325	9.6
559.34796	19.9
560.35193	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	559.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	5.9
59.01392	10.2
61.98839	18.6
65.01991	2.4
71.05056	2.1
71.28656	2.4
72.99317	4.4
75.00881	93.9
81.03473	2.4
83.05024	4.7
85.06577	2.6
91.14178	2.0
93.03491	2.3
95.05031	2.2
95.13605	2.1
97.06596	10.0
99.00922	5.4
99.92594	12.4
100.66767	2.0
111.00909	2.3
111.04521	12.3
111.08173	8.7
113.09757	2.9
114.84505	2.1
115.92101	24.1
116.92902	4.0
123.08191	8.0
125.02454	3.0
125.09734	73.2
125.84764	2.0
127.11308	2.7
139.04021	3.2
139.07648	2.7
145.08694	3.2
155.10767	3.3
165.09242	6.7
169.08711	2.5
171.10316	3.0
179.07114	4.4
181.08730	19.0
183.06654	5.3
187.09779	41.6
195.06680	4.8
207.06523	5.3
209.08209	24.8
211.13475	2.1
221.08153	3.9
225.07753	6.8
225.88596	2.4
227.46080	2.2
237.07878	2.1
239.09325	3.5
248.06946	4.8
261.07779	4.5
287.22241	3.1
313.23727	10.3
317.97812	2.2
323.14850	7.1
329.23218	2.2
331.11884	6.6
331.24945	23.6
349.12888	7.9
459.33221	5.2
483.33423	24.7
487.33200	3.4
501.34390	74.4
502.34619	6.8
546.37683	2.4
559.19714	3.3
559.27179	21.0
559.35229	100.0
560.27264	6.5
560.35858	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	560.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	10.2
69.00780	1.9
69.04301	1.6
69.04478	2.7
69.04807	13.9
75.18263	1.6
87.08357	1.5
88.08652	1.7
98.21841	3.6
98.41202	1.7
107.01400	7.1
111.00869	2.5
123.00905	8.5
125.02460	22.4
133.34462	1.8
135.64455	2.2
139.00352	5.5
140.01172	3.8
149.04887	1.4
151.00381	7.3
153.01933	10.2
154.02719	2.1
168.00623	3.6
168.04263	12.4
169.01437	33.8
169.98055	1.7
178.64470	1.9
183.02966	6.3
313.05618	9.3
327.06812	2.1
497.13043	100.0
498.13370	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	560.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.2
59.59449	0.2
61.98834	100.0
66.96320	0.2
70.39678	0.4
81.57699	0.2
154.68228	0.2
230.86646	0.2
305.52017	0.2
336.22803	0.4
337.23080	0.6
338.23236	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89515	0.2
53.00249	0.3
59.01386	1.1
59.15552	0.2
59.71125	0.3
61.98834	100.0
69.05892	2.0
70.49501	0.2
71.01379	0.4
95.01411	0.3
96.96045	0.6
101.02460	0.4
108.02177	2.2
109.02960	2.3
109.35243	0.2
109.67996	0.3
125.02480	0.8
137.02444	0.6
151.03958	0.3
152.01167	2.7
152.53423	0.2
153.01921	1.4
169.01422	0.5
170.01794	0.4
277.25726	0.2
309.96451	0.3
313.05707	0.3
315.07385	0.8
336.22803	0.7
337.23035	0.9
338.23349	0.7
423.77475	0.3
561.12573	0.3
561.19904	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	560.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	0.8
61.98835	100.0
71.01399	0.4
75.87135	0.3
81.40826	0.3
83.70109	0.3
90.83323	0.3
93.03484	0.3
101.02475	0.5
104.59003	0.3
107.67473	0.3
109.02962	0.5
123.04585	0.5
125.02490	1.2
137.02463	0.8
153.01985	0.7
169.01497	0.4
197.06305	0.3
212.04797	0.4
217.05138	0.3
224.04921	0.5
240.04274	0.6
241.05000	0.3
254.00710	0.3
268.03857	0.6
283.06131	3.4
313.05539	0.3
337.22952	0.4
349.75568	0.3
360.64960	0.3
360.69122	0.4
560.14087	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.98824	84.5
65.47400	24.5
70.78664	48.1
89.64304	22.9
96.96016	49.2
183.59192	25.0
258.11392	25.7
305.89319	30.6
381.45401	32.2
517.32361	46.6
528.90778	33.0
560.32635	58.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26123	1.5
59.01390	10.0
61.98818	1.9
69.53047	7.4
70.02981	2.6
71.01388	12.8
71.05038	1.8
72.04543	2.7
72.99334	1.8
73.02946	7.2
74.02481	17.4
75.00882	31.2
82.95428	2.2
83.05038	2.0
85.00448	17.4
85.02953	4.3
95.05042	8.8
96.08172	3.9
97.02977	4.5
98.21845	2.8
100.04063	10.5
101.06108	2.3
105.03022	1.5
109.06598	14.1
113.06122	4.6
115.04028	9.4
116.03539	13.3
118.05146	8.3
118.97971	1.6
119.57405	1.6
125.06097	2.5
130.05121	9.4
145.05109	9.0
154.08762	13.1
157.05074	4.2
188.09325	2.8
195.63586	1.7
198.07735	2.6
202.10867	3.1
206.10358	3.5
232.34634	1.5
246.09802	11.5
264.10901	16.0
295.88626	1.5
310.28671	1.9
330.41379	1.6
331.75378	1.8
371.31796	3.8
542.40594	11.3
560.41748	100.0
561.33911	3.9
561.42242	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	561.0552
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38766	0.3
59.01388	0.4
68.99284	1.5
68.99699	0.7
79.95746	3.2
82.39597	0.2
96.96021	100.0
98.22554	0.5
109.02953	0.4
111.00887	0.3
111.30988	0.3
125.02462	1.2
137.02505	0.8
151.00363	0.5
165.12143	0.2
169.01483	0.4
177.02061	0.3
271.02466	0.8
284.40588	0.3
287.01965	0.7
289.07205	0.5
316.02258	2.4
317.03046	0.6
338.58176	0.3
341.87897	0.3
407.49310	0.2
407.76324	0.2
414.99423	0.3
463.08759	3.7
464.09207	0.3
498.13687	0.7
561.15631	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1404
Annotation	Epicatechin-(4beta->8)-epiafzelechin
Peak:m/z	Relative Intensity
50.20208	0.7
52.09253	0.8
57.03458	5.0
59.01365	2.6
61.98820	1.4
62.28944	0.9
66.40346	0.8
71.01371	2.2
71.29385	1.3
73.02947	1.1
73.95703	1.0
81.03458	3.6
81.99248	0.8
83.01398	4.9
89.02473	2.1
93.03474	2.7
93.66175	1.0
95.01386	1.6
95.05026	3.3
96.96017	1.5
97.02962	6.7
99.04486	1.0
101.02443	1.4
107.05019	1.0
109.02956	20.7
109.03696	1.0
111.00862	1.6
121.02966	4.1
123.04530	17.2
124.01605	0.9
125.02457	36.2
133.02948	2.8
135.04523	2.2
137.02451	16.4
139.03990	4.3
145.03017	1.0
146.03719	1.6
149.02458	6.1
151.04004	8.3
159.04486	3.6
160.05269	1.3
161.02415	3.9
161.06096	4.2
162.03207	1.7
163.00401	1.8
163.03979	2.9
164.01166	14.2
165.01974	6.8
167.03493	1.0
169.01379	1.4
175.03976	4.1
175.07678	2.2
177.01938	4.4
177.05550	1.5
178.02753	1.3
179.03516	6.2
185.06123	2.4
187.04048	6.2
188.04791	3.3
191.03419	1.3
193.08717	8.2
199.03976	1.1
199.07494	1.2
202.06358	1.9
203.03838	1.0
203.07161	11.7
205.01407	4.6
205.05049	8.2
207.06596	1.0
221.08174	2.6
227.07034	2.9
229.05087	1.4
245.08174	16.5
247.02405	1.5
247.06149	2.3
254.44611	1.0
255.03020	2.3
255.56903	0.9
256.03818	1.2
271.06134	11.1
273.04828	1.2
273.07629	7.2
274.08057	1.0
289.07193	100.0
290.07559	4.4
300.99872	1.1
328.05917	1.9
329.06934	4.2
329.10110	1.0
379.53314	1.0
381.09918	0.9
400.94162	1.0
407.07721	10.5
417.09570	1.0
425.08682	1.2
435.10855	10.6
543.12976	1.4
561.13837	1.5
561.21185	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1983
Annotation	Saframycin A
Peak:m/z	Relative Intensity
52.23184	0.6
57.03448	0.7
59.01372	2.5
61.98520	1.2
61.98836	23.7
65.75726	0.6
69.15234	1.8
69.15637	2.4
71.01395	3.7
73.02933	1.1
81.03454	1.4
83.01417	0.7
85.02970	3.1
88.49001	0.7
89.02417	0.9
92.73765	0.6
93.03471	1.7
95.01379	2.2
96.96049	0.8
99.00884	0.7
101.02448	1.6
107.01384	2.0
107.90089	0.6
108.02182	41.3
109.02970	26.1
111.00948	0.6
113.02437	1.3
115.45894	0.6
121.02946	1.1
123.00903	2.1
123.04525	1.0
125.02437	5.4
125.06085	1.4
127.00437	0.7
136.05302	1.4
137.02406	1.3
139.00418	0.9
150.14348	0.6
151.04024	1.8
151.07681	1.3
152.01164	51.6
153.01952	17.5
153.05531	1.9
154.02734	0.7
163.04019	1.2
165.01959	1.2
168.00816	0.6
169.01422	4.4
182.02110	0.8
189.09082	0.6
197.04564	6.2
201.12817	2.8
203.10814	0.9
203.53607	0.6
204.11589	1.6
219.14064	3.2
230.09427	1.7
239.05592	0.8
245.11800	1.8
245.14134	0.7
263.12976	1.1
272.88779	0.6
315.07190	11.3
341.08981	1.5
561.19830	100.0
562.20099	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	561.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66730	1.5
52.53313	1.7
56.10236	1.6
58.00589	1.5
59.01383	100.0
61.98829	7.8
69.03446	4.5
71.01387	31.0
72.99313	3.2
73.02942	13.8
83.01394	3.0
85.02962	11.4
89.02450	21.6
93.03452	2.3
95.01400	3.4
96.96002	1.5
97.02968	4.9
98.22542	4.7
101.02447	29.4
103.04030	26.1
113.02431	3.3
119.03482	12.0
121.03057	1.5
125.02461	26.7
127.04019	1.9
135.04515	9.2
137.02420	2.5
143.03520	2.3
145.05101	4.8
163.04030	52.8
163.06116	26.6
178.06363	43.5
193.08699	39.6
243.06659	5.3
246.05598	1.8
247.08247	5.8
281.06653	2.0
299.62671	1.8
307.10321	10.0
437.82135	1.9
525.15002	1.9
525.22681	1.8
561.29034	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	561.2377
Annotation	(+)-Cocsuline
Peak:m/z	Relative Intensity
56.70074	0.5
59.01388	4.0
61.98833	1.2
69.00294	4.6
71.01378	1.9
73.02947	1.5
79.95737	1.4
79.99572	0.5
85.02967	0.9
89.02435	1.9
96.96018	42.7
101.02448	1.4
113.02438	1.3
117.47910	0.8
119.03487	1.0
140.86873	0.7
149.56947	0.5
151.04086	0.6
161.04514	0.9
179.05727	0.6
193.05066	0.7
244.84128	0.6
267.16235	0.6
319.22961	0.6
355.15756	0.6
399.18472	91.9
400.18765	6.4
489.32309	8.1
561.23743	100.0
562.24011	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	561.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42690	2.4
59.01376	3.8
61.98822	8.4
71.28326	3.9
78.95908	18.6
81.49699	1.9
84.70439	1.9
86.22008	2.1
117.26223	2.2
152.99582	4.6
224.06972	7.7
242.07869	2.3
279.23328	100.0
280.23676	7.6
287.46945	2.4
504.30997	64.4
505.31342	8.1
561.32587	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	561.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	2.7
61.98826	4.2
69.00031	3.9
69.00462	3.4
74.67518	0.7
78.95905	5.5
82.80235	0.7
94.77769	0.8
104.80804	0.8
119.05009	0.8
136.07939	0.8
148.21016	0.8
152.99574	2.9
168.04395	1.4
211.44891	0.9
242.08044	3.2
266.96252	0.8
274.03726	1.0
279.23291	100.0
280.23621	6.7
319.56668	0.9
341.26175	0.9
504.30957	31.8
505.30920	2.9
524.24780	1.0
561.31128	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	561.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.4
59.01382	100.0
61.98841	1.4
71.28049	0.5
72.99348	0.6
85.02972	0.5
86.51291	0.4
86.67505	0.4
111.04563	1.3
115.92101	0.6
177.12930	0.5
183.06654	1.4
209.08243	1.4
225.07782	1.0
239.12886	0.9
274.57513	0.4
347.66348	0.6
418.56348	0.5
453.63446	0.5
489.35190	1.3
501.32260	7.3
502.32617	0.9
561.20221	1.6
561.35040	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	561.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06846	0.3
50.80547	0.3
50.85761	0.4
53.02216	0.3
57.03443	0.5
59.01384	100.0
60.01721	0.6
61.98839	2.1
69.98470	0.3
71.01397	1.5
72.41544	0.3
73.02957	0.9
76.43046	0.3
78.37267	0.3
83.01436	0.3
85.02940	0.6
88.41460	0.3
89.02470	0.7
96.96038	0.5
97.02942	0.3
101.00306	0.4
101.02493	1.1
104.24269	0.3
106.45304	0.3
108.66351	0.3
113.02474	0.6
119.03468	0.4
123.56322	0.3
125.02468	0.5
125.39491	0.4
161.04546	0.6
169.01588	0.4
172.50467	0.4
222.14774	0.4
243.06729	0.5
244.74359	0.3
289.12894	0.4
317.38712	0.4
399.24197	0.9
415.46112	0.4
423.29303	0.6
501.32306	11.3
502.32916	0.7
517.28522	0.4
561.20605	0.6
561.27545	0.6
561.36188	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	562.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98846	6.9
68.99865	44.2
69.38090	4.6
73.89938	5.4
83.86552	5.5
88.67954	5.2
88.98820	5.4
96.96050	10.8
105.66205	5.6
108.02198	10.5
109.14325	5.4
117.78172	5.7
121.02950	9.0
122.03641	6.0
125.02512	8.7
136.01682	45.3
151.04034	75.0
161.04526	7.8
163.00679	5.5
169.01472	7.3
272.12451	5.3
297.06226	13.0
298.06790	7.2
299.99084	13.3
315.01547	6.0
342.11356	7.2
357.13483	100.0
358.13867	7.4
450.11636	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	562.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	97.8
61.98832	100.0
63.62160	14.6
71.01389	27.3
71.27958	13.6
71.28325	16.5
101.02468	37.6
113.02468	22.6
120.97219	13.6
129.60208	13.4
135.04532	27.1
149.06062	16.1
151.04085	17.3
163.03993	22.7
166.96342	17.1
175.22778	15.9
325.10574	18.3
343.11859	21.2
356.09146	20.0
357.17114	26.4
362.63803	14.4
563.32166	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	562.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50981	1.1
52.80168	1.0
59.01380	10.4
61.98835	100.0
69.48500	3.5
69.48898	2.4
75.00871	1.4
86.24880	0.9
95.14989	1.0
116.92876	1.9
181.93549	1.0
283.25885	1.2
366.47665	1.2
409.31311	1.1
470.12076	1.2
499.30698	12.7
515.08154	1.3
562.35742	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08654	3.6
52.42977	4.5
58.26283	3.7
59.01394	24.2
61.92035	3.5
61.98836	34.8
68.85233	3.7
69.59727	3.6
71.01380	11.5
73.02929	4.9
89.02447	8.4
91.13779	3.8
96.96020	40.4
101.02440	10.0
105.90965	3.8
113.02430	7.1
119.79211	4.2
125.02405	3.9
125.44805	3.9
289.07248	4.8
300.99478	4.6
399.18643	21.4
400.18896	78.3
401.18823	7.6
490.32651	9.7
562.11865	4.0
562.24091	100.0
562.33978	23.5
563.23730	16.6
563.33075	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1199
Annotation	Theaflavin
Peak:m/z	Relative Intensity
53.12111	2.7
57.03446	12.2
59.01385	8.6
69.03456	4.2
71.01370	3.0
71.29021	2.4
71.29485	3.1
77.47269	3.2
80.03250	2.6
80.91674	2.9
81.03462	7.8
83.01392	12.4
85.02902	3.4
91.59145	2.6
95.05045	7.2
95.98728	3.3
97.02976	5.0
97.93144	4.4
99.04545	6.2
108.02132	3.2
109.02961	5.1
113.06157	3.6
114.93428	27.2
121.02958	3.9
123.00914	5.5
125.01550	4.1
125.02461	68.6
137.02466	59.8
139.00407	5.4
139.04028	7.2
149.02419	3.6
151.03986	9.5
152.01170	2.9
153.01889	5.0
158.99203	3.3
159.04509	4.0
161.02492	3.1
164.01175	7.1
165.01944	20.1
167.03497	35.6
167.04820	5.2
169.01460	7.6
169.72629	2.7
173.06039	4.9
175.04121	3.7
177.02022	6.2
179.03488	5.9
181.05107	9.2
184.09818	2.6
185.06023	7.3
187.04031	3.8
189.05615	6.9
200.04659	2.9
201.05602	10.4
211.04022	4.5
212.04655	4.3
213.05594	19.0
213.98717	2.8
214.02652	3.3
215.03566	6.0
215.07239	2.6
217.05057	10.1
225.05519	7.4
227.03450	4.9
229.05025	22.9
231.06825	7.2
240.04387	6.4
241.05101	100.0
242.05386	3.7
243.02994	5.1
244.03801	3.3
251.03493	3.5
253.05067	10.7
256.03781	4.8
257.04572	42.4
259.06107	6.9
263.07303	3.5
265.05084	5.9
265.08859	3.6
267.06631	7.8
269.04593	32.9
269.07349	5.1
270.05197	4.4
271.04773	4.0
277.04953	4.5
281.04446	11.7
291.06961	3.4
293.04666	4.0
295.06201	4.3
299.98996	3.4
300.99811	5.1
303.06543	3.2
309.43842	3.0
311.08026	4.7
319.06027	5.9
321.07526	3.3
333.07870	3.7
339.08734	4.0
355.08179	3.3
361.07330	4.2
363.08780	5.2
366.14435	3.5
377.06976	3.6
379.08304	11.2
381.09860	6.1
382.05655	3.3
389.06607	8.0
395.07809	8.3
397.09271	4.4
401.06686	3.9
407.07791	13.4
424.07535	3.4
425.08871	12.5
457.13303	4.4
494.40811	2.9
501.11115	4.9
545.10339	7.6
545.17682	4.4
563.12012	60.1
563.20593	4.3
564.12195	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	563.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05325	0.5
51.18344	0.6
53.48996	0.5
59.01383	36.4
60.08399	0.5
61.69811	0.6
61.98823	1.9
71.01376	0.9
71.28399	0.8
72.72054	0.6
77.31490	0.6
77.32027	0.4
79.46796	0.5
85.02914	0.7
88.18911	0.5
93.14971	0.5
93.54744	0.5
129.81917	0.5
151.02315	0.5
178.06299	0.6
283.06125	48.3
284.06448	3.1
295.62622	0.6
297.07700	0.9
311.05618	35.9
312.06155	3.3
312.13620	0.9
325.07169	0.9
326.07950	65.0
327.08371	4.8
341.10300	100.0
342.10693	7.3
351.32309	0.6
394.22037	0.5
523.84534	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00595	1.3
59.01383	23.6
59.19315	1.0
61.98824	5.7
63.24218	1.3
64.63301	1.0
67.01876	2.6
69.03432	1.2
71.01388	19.2
72.99306	2.2
73.02958	1.7
79.01902	2.6
83.01385	2.9
85.02950	2.9
87.00887	1.9
89.02454	16.1
93.03441	2.1
95.01401	5.5
96.96986	1.1
97.02967	2.2
101.02434	9.9
107.01407	9.2
109.02963	3.4
111.00871	7.5
113.02454	6.5
116.92791	1.7
119.03515	6.1
121.02964	1.7
123.00893	30.3
123.04497	1.9
124.01658	2.9
125.02457	44.7
125.06064	2.1
127.00414	1.5
135.04559	1.4
136.01649	2.5
136.98820	3.7
137.02448	5.9
139.00383	11.3
139.04030	2.1
140.01175	8.6
141.01913	3.2
143.03458	1.4
148.05373	1.3
151.00377	17.8
151.04022	2.4
152.01108	1.6
153.01927	3.6
154.99872	1.2
159.04443	1.2
160.05235	1.3
161.04543	1.2
165.01991	2.1
167.03455	4.1
168.00661	11.9
168.11620	1.2
169.01437	50.1
170.01706	1.4
173.02396	1.6
179.05594	2.0
187.11296	2.2
205.12323	2.4
209.04544	1.4
211.02492	45.3
231.10274	2.6
254.01274	1.3
271.04608	77.0
272.04907	3.2
283.09760	1.6
299.99057	4.6
300.99506	4.0
311.09290	1.5
312.99899	1.5
313.05618	2.0
315.01340	2.0
316.01669	1.7
321.11987	1.1
328.02295	1.3
331.06723	13.9
341.13873	1.7
367.17688	6.0
383.11066	1.3
411.16580	8.8
417.17236	1.5
476.52570	1.5
483.18381	2.4
519.18756	45.9
520.19116	3.7
533.21161	1.5
545.15887	8.9
563.17682	100.0
564.17883	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	563.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57791	10.2
56.25154	9.8
58.52793	10.5
59.01380	66.8
66.00783	12.0
71.01387	53.8
71.27184	15.9
72.99299	35.2
83.74476	11.7
87.00861	17.7
89.02451	66.4
101.02435	37.9
113.02489	11.0
114.44204	10.2
119.03497	10.5
125.02464	14.5
133.01410	34.9
134.44287	10.4
164.58949	10.3
179.05577	49.0
193.36874	10.9
201.58243	10.5
221.06679	43.2
289.28455	14.3
289.77673	13.0
297.59573	11.8
326.90973	10.8
341.10699	18.9
503.16226	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	563.198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63596	0.7
59.01381	7.1
62.47473	0.6
68.99806	1.8
70.81962	1.3
71.01399	4.0
73.02926	1.1
75.00870	0.9
83.01379	2.6
85.02937	3.6
87.00875	3.5
96.96011	7.6
98.22455	0.7
98.95583	2.9
99.00881	4.8
101.02429	1.4
109.02998	0.8
111.00864	2.4
112.13052	0.6
112.98779	0.8
113.02449	4.8
113.99599	11.5
115.00388	7.9
116.86576	0.8
125.02413	1.5
127.00396	3.8
129.01988	0.9
137.02472	1.0
139.00372	2.3
139.11287	6.2
156.00674	2.2
157.01418	6.0
159.69743	0.7
169.01402	1.3
174.01689	8.7
175.02467	2.5
176.24237	0.8
181.12260	3.2
183.06689	1.4
183.10326	5.5
199.13356	1.7
209.25194	0.7
225.11337	1.9
243.12381	6.4
285.13486	1.4
443.15808	1.0
503.17719	9.3
504.18143	0.9
544.99927	1.4
545.18805	2.7
563.19806	100.0
564.20135	8.1
576.24268	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34600	5.2
55.01836	5.2
59.01385	100.0
66.19684	5.2
71.01381	72.4
71.05411	9.5
72.66656	5.1
73.02934	7.0
83.01373	7.1
85.02947	18.9
85.09898	4.7
87.00883	16.3
89.02448	89.6
90.51620	4.9
92.08963	4.8
95.01398	8.0
96.96012	10.6
97.08354	6.1
101.02460	58.0
102.29211	5.1
113.02455	38.6
119.03500	53.8
121.02955	8.7
122.64656	5.3
125.02491	40.8
127.97070	5.1
131.03477	9.7
137.02426	12.2
143.03522	11.7
149.02399	8.3
161.04605	15.5
163.04010	11.3
164.04791	63.1
179.05617	23.3
179.07137	37.4
195.06670	10.3
221.06674	26.9
232.36842	5.3
239.09259	5.9
263.07742	7.6
323.09927	41.0
387.10794	13.9
503.17587	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.214
Annotation	Melampodinin B
Peak:m/z	Relative Intensity
57.32418	1.9
59.01381	15.6
63.39167	2.0
71.01387	15.0
71.29683	2.3
73.02917	1.8
79.95752	2.6
83.01404	3.6
85.02945	6.9
87.00866	3.3
89.02440	8.5
93.03470	50.9
95.01420	2.8
96.96030	5.0
101.02457	10.8
108.02182	2.3
109.02979	2.8
113.02454	6.8
119.03558	3.7
121.02930	4.9
125.02461	6.0
135.22522	1.9
136.01674	5.7
137.02455	100.0
138.02887	2.6
149.02423	2.0
151.03941	3.2
153.01967	3.5
165.05463	2.3
169.01427	3.2
179.03488	6.2
207.06580	1.9
211.06703	1.8
213.88196	2.1
217.20737	2.5
239.05519	2.8
267.06567	10.0
281.06534	1.9
299.99277	4.0
300.99979	4.0
443.19147	26.2
444.19861	2.1
519.22382	65.6
520.22809	6.4
545.20941	2.0
563.12213	3.8
563.21368	74.7
564.21478	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	563.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01910	0.6
59.01390	6.6
61.08915	0.8
61.98826	1.7
65.03956	0.8
67.01863	0.7
69.30841	3.1
69.31250	1.6
71.01381	3.6
73.02952	1.3
79.01902	1.0
80.47671	0.7
83.01379	1.6
85.02953	2.4
89.02436	0.8
91.74118	0.6
93.03463	55.6
94.03810	1.0
95.01390	1.9
97.02966	1.0
99.00861	0.8
101.02454	2.0
105.19799	0.7
107.01407	2.5
107.05000	0.8
108.02159	1.4
109.02958	2.5
111.00903	1.3
113.02456	1.2
123.00891	9.3
123.04470	1.2
125.02453	11.9
126.77795	0.7
137.02455	100.0
138.02788	2.1
139.00363	3.8
140.01160	2.9
141.01915	1.3
151.00375	8.5
153.01991	1.0
155.03532	2.0
167.03435	1.0
168.00641	2.6
169.01427	15.7
171.10188	0.9
177.01945	9.5
177.05527	0.7
201.05750	0.7
202.52260	0.9
211.02460	1.1
249.15028	1.2
301.03625	1.3
327.21750	0.9
425.18198	2.0
443.19296	1.2
462.77896	0.8
563.21320	75.3
564.21613	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	563.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01910	0.6
59.01390	6.6
61.08915	0.8
61.98826	1.7
65.03956	0.8
67.01863	0.7
69.30841	3.1
69.31250	1.6
71.01381	3.6
73.02952	1.3
79.01902	1.0
80.47671	0.7
83.01379	1.6
85.02953	2.4
89.02436	0.8
91.74118	0.6
93.03463	55.6
94.03810	1.0
95.01390	1.9
97.02966	1.0
99.00861	0.8
101.02454	2.0
105.19799	0.7
107.01407	2.5
107.05000	0.8
108.02159	1.4
109.02958	2.5
111.00903	1.3
113.02456	1.2
123.00891	9.3
123.04470	1.2
125.02453	11.9
126.77795	0.7
137.02455	100.0
138.02788	2.1
139.00363	3.8
140.01160	2.9
141.01915	1.3
151.00375	8.5
153.01991	1.0
155.03532	2.0
167.03435	1.0
168.00641	2.6
169.01427	15.7
171.10188	0.9
177.01945	9.5
177.05527	0.7
201.05750	0.7
202.52260	0.9
211.02460	1.1
249.15028	1.2
301.03625	1.3
327.21750	0.9
425.18198	2.0
443.19296	1.2
462.77896	0.8
563.21320	75.3
564.21613	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	563.3076
Annotation	Dendronobiloside A
Peak:m/z	Relative Intensity
55.01882	3.0
55.02140	1.0
57.03437	2.3
58.00579	4.2
59.01380	100.0
61.98816	2.4
63.74055	1.0
69.67870	2.6
69.68261	2.5
71.01385	64.9
72.99293	5.0
73.02934	3.8
80.95702	1.1
83.01377	4.5
83.41975	1.0
85.02545	1.1
85.02959	11.4
87.00871	3.5
89.02448	64.7
91.31269	1.0
95.01395	4.5
101.02450	39.8
102.02834	1.5
108.02188	1.9
111.00874	2.0
113.02461	24.9
119.03510	35.6
123.04522	2.0
125.02409	1.7
131.03503	2.7
139.03987	1.4
143.03499	5.5
145.02713	1.0
149.04527	1.9
151.03954	1.5
153.01877	1.6
161.04575	5.6
165.05603	1.3
166.41098	0.9
179.05675	11.3
338.64005	1.2
383.24243	1.6
386.51239	1.0
401.16229	2.2
401.25375	4.1
563.22284	2.1
563.30676	61.5
564.31104	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	563.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	3.0
55.02140	1.0
57.03437	2.3
58.00579	4.2
59.01380	100.0
61.98816	2.4
63.74055	1.0
69.67870	2.6
69.68261	2.5
71.01385	64.9
72.99293	5.0
73.02934	3.8
80.95702	1.1
83.01377	4.5
83.41975	1.0
85.02545	1.1
85.02959	11.4
87.00871	3.5
89.02448	64.7
91.31269	1.0
95.01395	4.5
101.02450	39.8
102.02834	1.5
108.02188	1.9
111.00874	2.0
113.02461	24.9
119.03510	35.6
123.04522	2.0
125.02409	1.7
131.03503	2.7
139.03987	1.4
143.03499	5.5
145.02713	1.0
149.04527	1.9
151.03954	1.5
153.01877	1.6
161.04575	5.6
165.05603	1.3
166.41098	0.9
179.05675	11.3
338.64005	1.2
383.24243	1.6
386.51239	1.0
401.16229	2.2
401.25375	4.1
563.22284	2.1
563.30676	61.5
564.31104	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	563.347
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16534	0.7
52.44989	0.7
59.01378	0.9
61.98825	2.0
63.25481	0.7
66.56075	0.7
68.67824	0.7
68.98454	7.0
72.16633	0.8
78.95903	5.4
104.49756	0.7
118.96967	1.4
140.86588	0.8
152.99574	2.2
161.02484	1.5
164.08414	0.7
168.04309	2.0
183.42943	0.7
212.25536	0.7
213.87454	0.8
224.06990	0.8
242.08012	2.6
281.24881	100.0
282.25275	5.5
288.08469	0.8
506.32593	31.1
507.32864	2.0
520.09314	1.1
545.08746	0.9
563.34021	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	563.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46133	0.4
58.05235	0.4
58.46165	0.4
59.01385	100.0
60.01730	0.9
61.98839	2.0
67.13347	0.4
69.05075	3.0
69.05479	0.7
70.63669	0.4
71.40972	0.4
73.14906	0.4
75.83353	0.5
94.01508	0.5
95.12492	0.4
99.90767	0.4
124.49358	0.4
134.44473	0.4
137.02510	0.6
261.07693	0.6
328.79010	0.4
409.31393	1.4
421.31445	0.6
503.33844	5.8
504.34192	0.6
563.36121	5.7
564.36407	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38550	5.3
108.58893	5.2
125.02485	8.3
211.02605	5.9
314.11578	10.5
329.13943	20.1
341.13882	9.0
352.90250	5.6
367.21252	100.0
377.42847	6.3
565.23907	7.1
591.39600	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	564.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00599	6.3
59.01382	100.0
61.98835	14.6
66.42917	6.0
68.98849	48.1
71.01393	66.4
85.02970	11.6
85.50428	7.1
89.02448	87.5
95.01398	8.2
101.02448	21.6
107.01424	9.5
113.02467	28.9
116.92875	19.5
119.03526	32.0
120.12887	6.2
123.00903	27.8
123.04539	7.5
125.02471	57.2
126.02763	12.5
136.01631	11.5
137.02455	17.7
139.00368	12.5
140.01187	13.1
149.04578	7.6
151.00420	15.5
151.04013	10.2
161.02400	9.5
161.04675	9.8
168.00717	15.3
169.01398	60.3
169.25761	6.5
170.01886	19.4
179.03520	10.2
179.05602	25.5
193.05034	9.0
209.08138	6.8
211.02449	24.4
212.02715	6.8
218.04929	6.5
239.10817	7.6
243.91385	6.5
271.04648	31.3
272.04932	25.8
283.09848	30.7
301.00027	7.0
311.09256	65.5
326.11722	34.0
341.14020	82.2
520.18829	29.8
521.20355	9.8
534.21265	7.3
546.20844	13.9
564.19019	48.7
565.22260	24.6
572.99988	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	564.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.9
57.03448	3.8
58.00596	3.5
59.01382	86.8
61.98839	0.8
69.06603	5.1
71.01386	100.0
72.99313	5.2
73.02945	5.8
75.00897	2.1
83.01389	5.2
84.02166	0.7
85.02954	26.2
87.00883	22.8
87.01398	1.3
89.02451	75.0
90.02834	0.7
95.01389	4.2
96.96016	10.0
97.03008	1.3
99.00891	11.8
101.02449	30.3
108.02241	0.7
108.99637	0.7
111.00909	2.4
113.02459	31.7
114.02914	0.8
117.01916	3.4
118.02050	0.7
119.03519	17.6
121.03005	0.7
123.00866	1.2
125.02480	2.3
129.01953	36.1
131.03511	10.7
141.01929	1.3
143.03510	3.3
149.04576	6.0
159.02994	5.8
161.04556	7.7
169.01463	2.1
177.04070	8.6
179.05638	9.5
181.05127	2.2
194.17171	0.6
209.71820	0.6
248.16495	1.1
312.09586	0.7
386.21851	6.4
388.11246	1.2
402.21335	19.2
403.16406	0.8
410.21857	2.1
467.08362	2.5
501.19223	1.4
564.26648	51.2
565.05005	1.4
565.26715	5.2
589.34808	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	3.7
61.98837	100.0
92.39661	3.5
96.96043	3.7
101.65977	3.6
120.38683	3.5
138.49393	3.3
151.84918	3.6
161.02477	3.7
195.65028	3.3
423.77313	4.1
501.34323	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	565.0291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	4.3
59.85410	0.3
61.98833	4.4
63.71416	0.3
69.17760	2.5
70.62650	0.3
71.01390	2.1
72.99303	0.3
73.02951	0.4
76.09705	0.3
83.01384	0.6
85.02962	0.9
87.00877	0.7
87.04486	0.3
89.02475	1.7
93.03475	0.7
95.01440	0.6
99.00916	0.4
99.92596	12.3
100.92639	0.4
101.02446	2.0
109.02954	0.3
111.00916	1.1
113.02438	1.2
116.92873	100.0
117.92884	4.3
119.03519	0.6
123.00867	0.8
123.04554	0.4
125.02450	0.8
137.02460	1.0
139.00357	0.5
139.04002	0.5
151.00351	0.5
153.02005	0.4
161.04555	0.6
165.01729	0.3
166.02782	1.0
166.99806	0.4
167.03502	0.4
169.01442	1.0
179.03519	0.6
181.05049	0.9
205.05040	0.4
223.13359	0.5
236.42224	0.4
271.02521	0.5
300.02789	0.6
301.03497	0.6
353.08258	0.4
353.78058	0.4
382.94870	0.7
387.24612	0.3
388.11792	1.0
403.14032	3.9
403.23584	1.3
447.09494	0.4
547.02124	1.3
565.16034	0.9
565.28442	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	565.0484
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96404	0.8
70.52056	0.7
78.95913	100.0
96.96027	18.9
96.96981	35.4
99.73534	0.4
111.02005	8.2
118.94213	4.6
120.96981	2.3
134.91626	2.5
136.94075	0.4
138.98039	3.2
142.31927	0.4
150.98013	3.0
154.67889	0.4
158.92557	14.7
174.98051	0.7
176.93634	1.3
189.49295	0.4
192.99057	1.5
211.00172	5.1
241.01216	8.8
241.59842	0.4
246.15160	0.4
254.85274	13.8
255.85408	0.6
272.95749	4.2
280.02414	1.2
292.82162	9.3
305.01874	1.1
308.79773	0.4
309.64862	0.4
320.97897	2.7
323.02872	61.8
324.03076	1.8
347.53430	0.4
372.78397	1.4
376.43558	0.4
384.98456	5.1
390.77878	3.1
391.00821	0.7
391.77792	0.5
402.99673	1.9
410.74484	0.4
428.73950	3.4
466.70358	2.8
466.92722	0.8
565.04718	19.0
566.05280	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.4
59.84319	0.5
70.00217	0.5
71.01366	1.5
72.99266	0.5
79.95741	2.6
85.02941	0.5
89.02460	1.1
94.33958	0.5
95.01412	0.4
96.96018	100.0
98.21796	1.7
101.02460	0.7
107.01363	0.8
108.02172	5.0
108.02851	0.7
109.02972	1.6
113.02426	0.6
121.02991	0.5
123.00922	2.4
125.02450	5.4
139.00356	0.6
148.26514	0.4
151.00346	1.0
151.03981	0.6
152.01170	6.2
153.01971	1.8
163.04031	0.5
165.01996	0.6
168.00659	0.5
169.01454	7.7
177.02019	0.7
179.10858	0.6
182.99792	0.6
193.98549	0.5
194.96112	0.9
196.97688	1.3
208.97714	1.5
223.09752	1.1
224.97139	0.6
226.00352	0.5
234.99237	1.0
250.98705	1.5
265.10873	0.6
266.98376	0.6
278.98334	1.4
300.99948	1.0
308.11926	0.5
313.05737	1.8
315.07251	2.8
316.99887	1.0
317.56418	0.4
353.02036	1.4
403.16095	1.0
423.09564	4.5
449.07321	0.6
461.04120	2.1
467.08325	35.0
468.08691	2.6
479.05090	2.7
485.01462	1.0
493.03146	1.0
523.04041	3.1
528.99957	1.6
565.05200	8.9
567.02777	0.5
576.24518	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36010	0.4
57.03449	0.5
59.01382	8.8
61.98826	0.4
71.01387	5.5
71.28983	0.6
72.99301	0.6
73.02945	1.0
76.61537	0.4
78.95895	0.5
79.95747	2.9
82.95421	0.5
83.01405	0.8
85.02968	1.5
89.02444	4.0
95.01396	1.0
96.96019	100.0
97.02953	0.8
99.04523	0.8
101.02454	3.7
107.01401	0.8
109.02948	0.8
111.00936	0.8
113.02463	2.0
119.03542	2.6
121.02943	0.7
123.00878	1.5
125.02464	7.2
129.66093	0.5
131.03566	0.6
137.29793	0.4
139.00410	0.6
148.67128	0.5
157.88789	0.5
161.04625	0.6
161.09726	2.1
167.03534	0.5
168.00656	0.7
169.01427	7.2
176.75705	0.4
177.01956	0.9
179.05612	1.9
179.10803	4.9
189.12851	2.9
193.01503	0.5
197.11711	0.6
203.03419	0.4
211.02487	2.7
221.11853	0.7
223.09784	6.7
233.11842	1.5
233.54359	0.5
241.10887	1.7
261.66440	0.5
265.10788	1.4
270.98749	0.5
271.04605	1.8
295.28250	0.4
300.99875	1.5
313.05688	1.8
325.12943	0.6
343.13931	0.8
385.14783	0.5
403.16092	7.5
404.16605	0.5
413.18195	4.8
445.17029	1.8
464.39362	0.5
467.11938	2.1
505.19220	1.3
547.14789	1.5
564.99261	0.6
565.20300	9.6
566.19226	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01090	1.0
59.01385	18.0
61.98817	0.9
69.02506	4.8
69.30296	0.6
71.01374	1.1
85.02975	0.8
89.02451	0.8
101.02413	1.2
104.79672	0.6
123.04500	1.0
124.03979	0.6
125.02434	2.0
130.33263	0.6
137.02452	0.9
139.54030	0.6
139.55562	0.6
151.00443	0.9
167.03558	3.6
168.00580	1.1
179.07191	0.7
209.42267	0.7
211.02469	0.8
233.77583	0.7
233.80370	0.6
254.99294	1.3
264.36002	0.8
269.98080	8.2
270.98715	1.0
271.04623	1.1
283.57590	0.7
285.00421	10.0
297.03958	0.9
297.97549	30.7
298.00977	1.6
298.98148	2.2
306.01920	0.8
312.99911	56.1
314.00558	5.6
327.01614	0.7
328.02252	57.4
329.02945	9.0
338.00705	1.2
341.03033	1.1
343.04596	100.0
344.04886	5.2
353.03000	2.4
385.05966	0.7
468.09369	1.0
565.22565	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78121	2.2
55.01854	2.4
59.01378	23.0
61.98833	7.0
69.03432	2.8
69.58096	9.9
71.01387	17.5
72.99300	2.4
73.02943	6.3
81.03462	3.4
82.39446	1.9
85.02953	9.2
87.00877	11.6
89.02453	8.4
93.03463	4.8
95.01392	3.2
101.02470	9.4
104.34563	1.9
105.03460	3.4
107.01408	7.2
108.02195	5.5
109.02976	4.1
111.00903	5.8
113.02470	5.8
116.92873	5.4
119.01385	6.7
119.03522	3.4
121.02969	14.0
122.03740	4.4
123.00887	9.9
123.04518	24.2
124.01699	3.8
125.02454	52.5
132.02171	7.6
133.47961	2.3
134.03734	13.7
135.04532	4.3
137.02438	6.1
139.00363	3.0
139.04010	3.0
147.00896	5.5
149.02446	35.2
149.06042	2.9
150.03156	2.7
151.00380	7.8
151.04036	3.9
152.01160	4.2
153.01938	3.0
159.02922	2.8
160.01662	28.4
161.02403	5.7
161.04562	2.2
163.04013	3.5
163.11322	2.4
164.04770	18.6
165.01878	3.4
167.03479	2.8
168.00670	5.3
169.01442	61.4
175.00385	35.2
175.01793	3.1
175.04016	28.9
175.16978	2.1
176.01126	4.9
178.02716	2.5
179.03514	3.1
179.07072	3.3
182.05830	4.9
190.02730	75.3
191.03482	7.2
193.05078	13.4
193.08748	4.4
194.02364	1.9
195.06825	2.2
197.08195	4.4
204.37219	2.2
205.05058	83.7
207.10254	33.3
208.03859	2.3
211.02499	4.8
216.95061	1.9
223.06113	31.1
224.06354	2.1
233.08110	2.8
238.00830	2.1
271.04535	2.1
313.05688	34.3
327.11346	2.0
385.16724	4.2
521.16669	93.0
522.16882	10.1
533.17261	2.8
565.19366	100.0
565.28552	11.8
566.19452	13.0
566.27960	2.5
584.32220	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	565.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	3.1
59.01385	12.6
60.39423	1.0
61.98822	3.9
63.22465	0.9
68.75981	1.1
69.20015	2.0
69.20409	4.7
71.01386	8.2
73.02928	2.8
81.03468	2.5
83.01395	1.5
83.05042	1.1
85.02948	6.7
87.00876	1.3
89.02448	2.4
93.03436	1.3
95.01415	5.8
99.00928	1.2
101.02449	4.9
108.02183	98.4
109.02966	68.6
110.03216	1.1
113.02447	3.3
121.02934	4.0
123.00898	3.5
123.03741	1.1
123.04550	3.3
125.02405	2.9
133.03012	1.5
135.04480	2.1
137.02466	1.2
139.03972	4.3
139.11246	1.4
151.03996	2.4
152.01164	100.0
153.01956	37.3
161.04521	1.7
161.09651	1.3
161.13406	1.1
163.04002	2.2
164.04747	1.2
165.01915	3.0
167.03502	1.5
169.01369	1.8
175.04004	1.1
177.02014	1.5
179.03452	1.2
181.04974	1.1
187.11279	1.9
193.04965	1.6
193.08611	1.7
200.90828	1.0
201.11304	2.9
205.12328	1.3
207.10229	1.3
241.08646	2.0
312.99976	2.4
315.07266	22.8
328.02158	2.7
343.04544	3.5
347.29266	1.2
357.08273	10.0
361.22021	1.1
448.00201	1.3
483.18573	1.0
503.19379	9.8
505.17139	2.0
521.20270	28.0
522.20483	2.9
547.18384	5.4
565.19159	99.8
566.19617	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	565.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	14.5
60.99297	2.5
61.98804	6.1
69.08916	11.6
71.01382	7.7
73.02921	2.9
79.05525	1.7
79.96657	1.2
81.03453	2.9
85.02934	6.9
87.04472	1.9
87.42432	1.3
88.98820	13.8
93.03433	4.7
95.01380	5.1
101.02418	2.6
107.04993	2.1
108.02181	79.3
109.02972	55.5
111.00956	1.5
113.02425	4.9
121.02939	5.0
122.03630	2.0
123.00869	4.5
123.04539	29.1
125.02387	4.8
135.04556	1.5
136.01640	1.4
137.02441	5.4
139.00330	1.7
139.04002	1.8
147.04575	1.7
149.02423	2.3
149.09647	2.4
151.03961	2.9
152.01158	80.9
153.01959	36.1
153.05556	7.0
161.09615	2.5
163.04012	2.0
165.01848	1.7
165.05504	1.7
169.01363	2.5
175.00334	3.4
177.01949	32.6
187.11212	2.6
190.02684	4.4
193.05078	1.8
193.08708	37.6
194.87730	1.6
205.05043	6.4
205.12268	1.9
223.06100	2.0
255.57129	1.6
268.07288	2.4
271.09763	1.8
281.06656	4.1
297.06345	1.9
315.07230	20.2
357.08072	4.6
421.13751	1.6
431.16077	1.7
463.14325	1.7
503.18903	5.2
521.20355	28.0
522.20319	3.3
547.18195	2.5
565.19110	100.0
566.19336	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	565.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	2.1
57.03444	1.9
58.00599	3.6
59.01387	66.1
62.64287	1.4
63.41942	1.5
69.18521	9.1
71.01389	38.6
72.99309	3.5
73.02968	2.2
82.95423	2.0
83.01394	2.3
85.02950	9.1
87.00893	2.3
87.90074	1.3
88.48794	1.5
89.02455	49.7
93.03461	2.2
95.01416	2.7
96.96030	3.1
96.96996	1.3
97.02982	3.3
99.04523	11.0
101.02452	23.6
107.01316	2.0
109.02966	1.6
111.04504	2.3
113.02457	13.4
118.03020	1.6
119.03535	20.1
123.00826	1.9
125.02467	11.5
135.11838	5.9
136.04051	16.5
143.03539	4.8
151.00424	2.3
159.11803	8.3
161.04578	5.1
161.09769	13.3
163.11266	2.4
165.05492	1.5
169.01480	9.7
177.12914	2.4
179.05640	18.8
179.10797	46.1
193.12401	3.0
203.10779	2.0
205.08708	2.0
208.06105	1.8
221.11847	7.4
223.09782	85.6
224.10162	2.5
241.10699	1.6
252.05287	2.3
265.10858	26.1
266.11066	2.0
270.98914	1.9
278.59720	1.3
295.11874	4.5
297.00314	1.4
299.88150	1.6
299.99249	1.9
313.05765	5.5
325.12982	12.5
359.17151	4.6
385.15128	4.8
403.16135	100.0
404.16415	5.9
414.10654	4.0
445.17133	21.0
450.10742	8.7
457.19910	1.5
460.12192	1.6
475.18259	7.3
505.19400	29.5
565.21771	9.9
566.11456	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	565.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36263	1.5
54.92289	1.7
57.03445	6.5
58.00576	3.7
59.01380	100.0
71.01388	81.9
72.99303	5.5
73.02958	15.7
78.30713	1.6
82.54441	1.6
83.01385	5.0
83.04988	1.9
85.02956	21.2
87.00877	15.7
89.02452	86.7
95.01417	5.1
96.96020	8.8
97.02979	2.1
99.04512	6.0
101.02446	71.5
108.02171	3.2
109.02938	5.3
111.00877	2.3
111.04468	1.8
113.02464	30.8
119.03502	35.9
123.00929	3.5
125.02456	20.5
129.01982	2.4
131.03494	8.7
135.04488	2.4
135.11841	3.7
137.02423	2.4
137.09723	5.6
139.00352	2.0
143.02484	2.4
143.03461	10.6
149.04535	3.2
151.04019	2.5
152.01146	2.8
159.03079	2.0
159.04459	2.4
159.11803	2.3
161.02402	3.1
161.04559	26.5
161.09726	4.8
163.07573	2.9
167.03613	2.6
169.01404	7.9
175.03949	2.4
177.01924	4.4
179.05620	82.8
179.09319	3.2
179.10783	31.7
181.08720	5.8
197.11848	17.4
221.06667	36.2
223.09755	48.9
224.10092	2.3
225.37927	1.7
241.10838	25.1
265.10785	2.3
271.04465	2.6
275.01874	2.5
283.11905	9.2
300.99777	3.9
313.12729	2.9
341.10757	4.2
343.13986	20.1
385.15100	2.3
403.16196	28.6
419.17319	2.1
445.17188	12.4
475.18198	6.9
487.75864	2.0
505.19308	7.6
521.22363	6.2
565.21936	61.5
566.22021	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	565.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36263	1.5
54.92289	1.7
57.03445	6.5
58.00576	3.7
59.01380	100.0
71.01388	81.9
72.99303	5.5
73.02958	15.7
78.30713	1.6
82.54441	1.6
83.01385	5.0
83.04988	1.9
85.02956	21.2
87.00877	15.7
89.02452	86.7
95.01417	5.1
96.96020	8.8
97.02979	2.1
99.04512	6.0
101.02446	71.5
108.02171	3.2
109.02938	5.3
111.00877	2.3
111.04468	1.8
113.02464	30.8
119.03502	35.9
123.00929	3.5
125.02456	20.5
129.01982	2.4
131.03494	8.7
135.04488	2.4
135.11841	3.7
137.02423	2.4
137.09723	5.6
139.00352	2.0
143.02484	2.4
143.03461	10.6
149.04535	3.2
151.04019	2.5
152.01146	2.8
159.03079	2.0
159.04459	2.4
159.11803	2.3
161.02402	3.1
161.04559	26.5
161.09726	4.8
163.07573	2.9
167.03613	2.6
169.01404	7.9
175.03949	2.4
177.01924	4.4
179.05620	82.8
179.09319	3.2
179.10783	31.7
181.08720	5.8
197.11848	17.4
221.06667	36.2
223.09755	48.9
224.10092	2.3
225.37927	1.7
241.10838	25.1
265.10785	2.3
271.04465	2.6
275.01874	2.5
283.11905	9.2
300.99777	3.9
313.12729	2.9
341.10757	4.2
343.13986	20.1
385.15100	2.3
403.16196	28.6
419.17319	2.1
445.17188	12.4
475.18198	6.9
487.75864	2.0
505.19308	7.6
521.22363	6.2
565.21936	61.5
566.22021	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	565.214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.4
58.00586	2.5
59.01386	68.4
63.47478	1.1
69.03444	1.6
70.84932	1.2
71.01385	42.9
72.99319	3.2
73.02944	1.9
75.84041	1.1
82.95409	1.1
83.01371	2.6
85.02976	8.5
87.00897	2.1
89.02451	45.6
93.03481	2.9
95.01408	3.8
96.96006	2.5
97.02943	2.6
99.04531	13.5
101.02458	22.2
107.05051	1.3
111.04520	2.4
113.02467	13.7
118.03004	2.0
119.03520	22.5
124.05299	1.5
125.02467	8.8
125.06088	2.6
131.03506	2.1
133.10280	2.4
135.08157	2.3
135.11845	6.1
136.04062	15.3
137.02484	1.5
143.03511	4.5
149.04645	1.6
159.11812	5.6
161.04539	5.3
161.09727	13.5
163.11354	1.6
169.01459	8.9
175.11337	1.8
177.12871	1.9
179.05624	20.0
179.10794	54.7
180.11101	1.6
203.10925	1.8
205.08730	2.7
208.06233	2.9
221.11835	9.4
223.09772	84.2
224.10136	3.8
265.10846	25.3
266.11313	1.2
295.11948	4.2
313.05716	4.1
325.12964	12.7
351.94876	1.1
359.17154	4.7
385.15106	5.1
403.16119	100.0
404.16547	7.1
414.10510	3.4
445.17221	24.0
450.10641	6.9
475.18130	10.1
505.19339	28.6
506.19263	2.4
547.14630	1.7
563.94135	1.2
565.07855	1.8
565.22272	8.4
566.11469	4.0
566.21790	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.7
58.00587	2.6
59.01386	62.9
71.01390	40.3
72.99304	3.7
73.02940	2.0
83.01382	2.4
83.48103	1.0
85.02952	10.2
87.00871	2.7
89.01903	1.3
89.02453	43.7
95.01391	3.2
96.96017	51.4
97.02958	1.6
99.04530	11.7
101.02462	22.3
107.08717	1.1
109.02949	1.7
111.04523	2.9
113.02451	16.3
119.03518	19.2
123.00914	1.2
123.04506	2.2
125.02470	9.6
125.20594	1.1
131.03476	1.5
133.10275	1.4
135.11844	5.7
137.02414	2.0
143.03503	4.7
147.08063	1.4
149.04565	1.5
154.35205	1.2
159.11784	5.8
161.04541	4.4
161.09721	12.9
163.11159	1.3
165.05623	1.4
169.01430	6.6
177.01982	1.6
177.12921	2.2
179.05608	18.1
179.10786	47.3
180.11195	1.4
193.12328	1.6
203.10812	2.2
205.08745	1.5
221.11818	5.9
223.09772	82.0
224.10124	2.9
265.10825	19.4
295.11844	5.0
313.05679	2.5
325.12869	9.3
359.17072	4.5
385.15073	4.3
403.16110	100.0
404.16360	5.0
413.18433	1.5
445.17142	21.4
446.17993	1.6
467.12411	2.1
475.18222	8.5
505.19321	19.5
506.19110	2.2
547.14777	1.4
565.22455	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	565.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02406	1.0
57.03443	1.2
59.01379	4.7
61.98813	3.2
69.72960	4.2
71.01378	4.7
73.02958	1.6
79.47093	0.9
84.66676	0.8
85.02953	2.0
85.06622	1.0
87.04514	1.6
93.03445	2.2
95.01385	3.1
96.96051	1.0
101.02459	1.4
108.02184	47.2
109.02962	54.0
111.93951	1.0
113.02453	2.5
121.02972	1.5
123.00886	3.2
123.04549	2.7
124.01690	1.2
125.02462	3.8
137.02498	1.2
139.03987	1.4
151.00395	1.7
151.04019	2.0
152.01166	51.3
153.01953	36.4
153.05583	1.1
153.09235	1.7
157.14844	1.0
163.04034	1.6
165.01907	1.3
165.05544	1.4
167.03493	2.1
169.01401	2.5
195.06633	2.7
197.08304	1.1
246.68999	0.9
271.04684	0.9
299.11356	1.1
304.02820	0.9
315.07306	5.8
329.22998	1.2
343.04480	1.1
346.68192	0.9
378.41376	1.0
397.56836	1.0
467.84689	1.0
503.16415	1.0
565.22943	100.0
566.23230	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	565.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19919	0.7
52.47531	0.7
57.03451	0.8
59.01379	6.2
61.98843	5.6
67.01858	0.8
69.02904	5.7
71.01376	2.3
81.03456	0.8
83.01389	0.9
85.02977	2.0
95.01405	1.6
96.95995	0.7
97.02940	0.9
98.21802	1.5
101.02444	0.8
108.02196	1.7
109.02962	2.4
111.00848	1.6
121.02945	1.1
123.00900	3.4
123.04564	1.1
124.01662	2.4
125.02451	6.0
127.00394	2.2
135.04553	1.7
136.98805	1.4
137.02417	2.2
138.03246	0.9
139.00377	10.2
139.04025	3.4
140.01131	0.8
151.00375	11.0
151.03999	2.5
152.01154	8.7
153.01952	3.7
153.05594	1.6
153.09219	4.6
154.02731	2.0
163.04002	1.3
163.07706	1.4
164.04788	1.2
165.01994	0.8
166.02725	27.4
167.03514	8.4
168.00555	0.8
168.04224	0.9
169.01477	4.5
173.06107	1.6
175.04063	0.9
175.07506	0.8
176.04767	1.0
178.06351	1.4
179.03549	2.2
179.07179	3.0
180.04347	3.6
181.05084	33.3
181.98238	0.8
183.03065	0.8
190.06349	6.0
191.07094	5.1
193.05090	0.7
194.05904	1.1
195.06630	4.7
195.10281	0.8
205.08662	3.5
206.09399	1.0
207.06444	0.9
209.08115	0.9
221.08220	1.5
233.08138	1.7
243.06715	0.9
306.99072	0.8
315.16791	0.7
340.09637	0.9
343.15585	2.8
345.13403	1.5
355.11862	1.6
370.14178	1.8
373.12881	10.1
387.14761	0.8
388.15265	9.5
403.17639	100.0
404.18033	7.7
445.05933	0.8
489.12421	3.7
489.62515	1.5
522.64923	0.9
565.13922	1.3
565.22333	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	565.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20804	0.4
59.01387	4.7
61.54045	0.4
61.98551	0.4
61.98829	2.7
63.01978	0.4
71.01386	0.7
73.02955	0.5
73.68447	0.4
81.03454	4.1
83.01382	3.1
88.98802	0.7
93.03465	0.7
95.01428	0.5
95.05039	6.5
97.02967	1.9
99.04524	2.4
99.92542	0.5
101.02454	0.6
102.18065	0.4
104.82366	0.5
108.02193	1.1
109.03006	0.6
113.09748	1.2
121.02964	1.3
122.03757	1.8
123.00881	1.0
123.04533	9.3
124.01672	0.5
125.02461	11.3
137.02399	1.0
137.06091	9.2
139.04015	1.8
141.05637	1.0
149.02501	0.5
150.03171	0.5
151.00311	0.6
151.04016	0.7
152.01173	1.1
161.04466	0.6
163.04024	0.5
164.04666	0.6
165.01952	0.7
165.05573	2.6
165.09175	0.6
167.03502	28.7
168.03804	0.7
169.01424	0.9
177.09137	0.5
179.03548	2.7
179.07172	1.3
181.05078	1.2
181.07220	0.6
181.08713	4.9
193.05122	1.1
193.08694	0.7
197.04460	0.6
209.04559	100.0
210.04881	3.0
221.04553	1.4
221.08279	1.1
227.69345	0.6
233.08234	0.7
239.05598	9.5
247.29433	0.5
263.09238	6.9
264.09506	0.5
293.10352	1.0
329.08817	21.8
330.09125	1.3
383.13583	2.9
403.18225	0.5
445.18408	0.7
565.22791	23.3
566.23267	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	565.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28339	3.7
56.24404	3.0
56.76833	2.7
57.03419	3.5
59.01385	50.3
61.98823	16.0
71.01389	16.5
71.05019	2.9
72.99300	9.0
73.02936	7.6
83.01391	6.2
83.05019	2.9
85.02976	6.6
85.42818	2.7
87.00874	3.8
87.04528	3.0
89.02432	9.0
93.03520	3.9
95.01354	2.5
96.96030	2.8
101.02448	15.4
101.73338	2.6
107.01415	4.8
107.05003	2.8
108.01572	3.4
108.02182	33.6
109.02987	21.9
111.00861	9.8
111.04541	3.1
113.02428	9.6
119.03514	3.6
123.00880	8.2
123.04526	22.9
124.01648	3.4
124.95318	2.7
125.02442	20.0
127.04269	3.5
135.04506	4.0
137.02434	6.2
137.06131	3.0
139.00360	2.9
139.03941	5.1
149.02429	3.7
151.00365	4.3
151.04018	5.0
151.07654	2.9
152.01164	31.8
153.01959	15.5
153.05591	21.7
161.04553	5.5
161.09715	3.5
163.04070	2.8
163.07666	4.2
164.04779	3.3
165.05486	2.9
165.09198	3.7
167.03461	6.0
168.00612	2.7
169.01443	19.1
177.05573	4.0
179.05681	3.6
179.07114	9.9
179.10765	8.5
193.08670	10.1
193.21397	2.8
195.06628	19.6
197.08220	4.4
197.42720	2.8
205.05064	5.1
209.08199	15.5
211.02510	4.0
269.75677	3.0
300.99930	3.8
315.07251	4.7
337.07300	6.2
341.12064	3.6
345.24625	3.1
355.06531	4.2
359.13492	7.1
363.97665	3.1
505.20422	3.1
505.32626	3.8
565.22742	100.0
566.23004	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	565.2447
Annotation	Okaramine B
Peak:m/z	Relative Intensity
71.28306	0.9
84.85073	0.7
87.04540	1.2
93.03406	0.7
97.02940	1.1
111.04530	42.8
113.09736	1.1
125.75409	0.7
131.05009	1.0
138.03212	0.8
139.04022	2.9
145.06590	4.1
149.06010	0.8
157.50052	0.6
161.06110	3.2
173.06079	1.8
174.03168	0.8
174.95416	0.7
175.03995	0.9
175.93246	0.7
181.08688	6.6
189.05573	26.1
190.05936	0.7
191.03455	1.2
202.02635	1.0
209.08189	1.3
213.05536	1.5
217.05061	58.0
218.05467	1.5
219.10168	1.0
244.03731	1.4
245.15501	1.7
259.06201	1.1
272.03262	1.6
280.88583	0.7
283.22644	0.7
285.11346	3.9
314.08035	3.2
317.10132	0.9
329.10321	21.6
330.10471	1.7
343.11893	2.3
369.13428	1.2
382.14380	1.0
383.15057	3.2
409.20193	2.4
425.19611	1.9
427.21432	1.3
453.19171	2.5
457.22189	2.0
507.16315	7.7
542.20630	0.9
547.23230	1.0
565.24432	100.0
566.24799	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	565.2443
Annotation	Okaramine B
Peak:m/z	Relative Intensity
57.03441	1.5
59.01368	2.3
59.71862	1.0
68.95759	0.9
85.02957	10.1
85.06580	3.2
87.04561	1.1
95.05035	6.7
107.05024	1.1
109.02969	2.2
109.06600	1.7
111.04525	19.3
113.02478	4.7
113.06091	5.8
113.09761	1.6
123.08156	3.6
139.03987	2.9
147.08052	1.0
152.01161	1.5
155.07135	4.8
165.09200	5.9
181.08754	9.4
183.06633	63.7
184.06973	2.2
191.07169	1.5
191.91676	1.1
195.06583	2.1
207.06604	7.0
208.07286	2.5
209.08191	19.5
217.12421	1.9
223.09750	1.8
225.07776	2.1
230.05812	1.3
231.06570	2.8
259.06171	1.9
261.11325	4.0
271.09988	2.1
283.09564	1.6
285.18604	2.7
297.11221	1.4
301.10934	1.9
325.10840	3.2
329.10287	21.9
329.13943	6.8
329.17603	20.5
339.16135	1.4
340.12881	2.0
341.09863	1.1
349.10895	1.5
351.15787	1.3
355.15445	7.9
361.14240	1.0
364.13223	3.7
379.15591	2.5
381.16907	2.9
386.14450	1.0
391.19034	1.6
409.20261	2.1
411.14178	2.3
417.17001	1.2
447.21725	1.5
449.19681	2.2
453.19150	4.5
456.14398	1.3
503.24045	3.2
519.23810	5.5
547.23242	12.6
565.24359	100.0
565.31152	4.9
566.24799	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	565.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61467	0.5
53.59952	0.4
73.96861	0.4
86.99556	0.5
95.61098	0.5
98.22549	0.9
109.06622	0.6
111.04530	1.8
113.06102	0.6
113.09734	5.4
141.71693	0.5
146.08116	0.4
152.04762	0.7
152.78116	0.4
162.26268	0.5
166.06268	0.6
180.04192	0.7
181.08714	31.9
182.08965	1.1
184.03867	0.6
195.97256	0.5
205.05139	2.9
207.06557	1.0
217.05089	1.9
219.06633	1.8
220.07376	2.6
232.10956	0.6
233.08202	19.8
234.08595	0.7
245.08159	3.7
248.10596	5.6
249.10999	0.7
259.09763	3.8
259.13333	0.6
260.10590	5.4
280.09579	1.9
285.18546	0.6
329.17603	100.0
330.17944	6.7
334.25598	0.5
336.04434	0.5
418.68497	0.6
450.40787	0.5
565.31732	11.2
566.32111	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
61.38107	0.3
78.68162	0.3
79.05553	0.3
98.21792	1.2
109.06562	0.8
111.04518	2.4
111.08183	0.3
113.06145	0.7
113.09728	3.4
124.50394	0.3
151.07648	0.7
152.01186	0.3
152.04785	1.5
159.33621	0.4
166.06346	0.6
169.50479	0.3
175.11238	0.4
180.04240	0.8
181.08722	26.3
182.09001	0.7
184.03763	0.6
189.05577	0.9
190.06291	0.5
195.06541	1.2
201.09161	0.7
205.05095	3.0
207.06635	1.1
208.07295	0.5
215.10771	1.0
215.14360	0.3
217.05054	2.6
217.08649	0.5
217.12263	0.7
219.06697	1.0
220.07362	2.5
229.24503	0.5
231.10252	0.6
232.11026	0.6
243.10246	0.6
245.08215	4.3
259.09784	4.9
259.13336	1.6
260.10535	10.9
261.11035	0.4
271.09778	0.5
285.11325	0.8
285.18552	1.6
292.09625	1.0
299.12952	0.5
327.16196	0.8
329.17593	100.0
330.17920	5.9
357.80920	0.3
383.22437	2.9
384.76202	0.4
435.76498	0.4
565.31677	10.3
566.32550	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74142	1.7
53.31621	2.0
55.01869	1.8
57.03442	4.3
59.01383	70.8
61.98570	2.5
61.98834	29.2
65.11623	1.7
69.03442	2.0
69.75252	2.0
71.01379	32.0
71.05020	2.2
71.28619	2.8
72.01740	2.0
72.99294	4.8
73.02955	9.7
75.00880	54.0
80.32385	1.9
81.03474	12.7
83.01382	4.6
85.02952	12.0
87.00852	2.2
87.04508	2.6
88.98776	4.8
89.02450	13.1
90.00096	1.9
93.03437	2.3
95.01375	3.3
97.02913	2.5
99.00899	3.6
101.02458	20.0
108.02164	7.5
109.02939	8.0
111.00880	4.0
111.04501	2.3
113.02467	9.6
119.03476	6.4
121.02949	2.9
122.03774	1.9
123.00930	10.7
123.04530	78.4
124.04809	3.0
125.02461	20.1
125.09719	2.3
135.04530	2.4
137.02426	5.1
138.03214	3.3
139.00385	9.9
139.03993	8.4
143.03568	2.5
149.02417	4.6
149.06120	2.5
149.09747	2.2
151.00407	3.6
151.04004	6.8
152.01147	5.9
153.01884	6.8
153.05563	6.0
161.04593	9.5
163.03996	3.7
163.07457	2.4
164.04822	9.9
165.01942	2.6
167.03496	2.5
168.00644	2.7
169.01436	20.6
177.05527	4.7
179.05632	4.0
179.07144	7.0
180.02170	1.7
181.08594	3.0
183.10226	2.0
193.08705	90.6
194.09033	4.9
195.06590	3.4
205.05096	3.6
206.41853	2.1
209.08163	3.9
211.02483	3.4
219.06584	6.2
221.04607	3.1
223.09766	2.3
225.07516	2.5
231.56900	2.0
237.07623	2.4
237.11238	2.2
242.02138	5.7
254.02158	4.9
256.03702	2.2
257.04648	4.1
269.04520	5.8
270.01730	4.4
271.04538	3.8
283.09677	2.4
285.03952	5.5
313.03497	56.1
314.03790	3.8
325.80521	2.2
328.05899	25.5
329.06381	4.0
343.08243	100.0
343.28482	10.4
344.08514	10.0
356.12585	2.1
371.15033	14.9
403.17545	15.2
505.33826	31.9
521.23175	1.9
565.22906	79.0
566.22784	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	566.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82612	0.6
60.17392	0.8
61.98833	100.0
69.04862	4.5
74.13166	0.6
77.34611	0.6
94.94863	0.6
101.03362	0.7
105.03445	0.8
109.02969	5.8
121.03008	1.0
122.03721	0.8
123.04548	2.7
135.04561	2.5
137.02515	1.0
139.04028	1.6
145.02962	1.1
146.03816	1.2
147.04535	30.2
149.02463	5.1
150.03265	3.8
159.04510	3.7
160.56396	0.7
169.01474	0.9
173.06140	0.7
177.05620	0.8
187.03975	0.8
188.04866	0.8
189.05569	6.3
201.05595	1.2
213.05656	1.1
215.03566	1.0
217.05066	1.3
225.05675	1.1
231.06639	9.5
243.06549	5.8
253.05087	1.6
255.06700	1.4
267.06604	4.5
269.08215	2.9
291.06720	0.8
295.06064	3.1
297.07709	6.6
309.07703	1.4
311.09167	4.8
325.07352	1.3
335.09454	1.4
353.10504	2.7
363.08594	1.0
379.08270	1.3
381.09952	0.9
393.09741	1.3
405.13849	1.1
419.11368	1.6
443.11707	1.9
445.09552	1.8
485.12509	2.7
503.13513	77.7
504.13837	8.2
566.23206	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	566.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11525	0.3
59.01379	1.5
61.98835	100.0
71.28210	0.4
111.36207	0.3
125.02467	0.7
209.04611	0.3
274.07059	0.4
288.26352	0.3
327.08484	0.5
328.08630	0.4
343.10709	0.4
498.56491	0.4
551.06830	0.4
566.23114	0.6
566.31445	0.5
566.41003	0.5
567.23822	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28152	8.7
58.59348	8.1
59.01387	24.4
71.01389	18.9
71.29276	13.6
107.01410	19.7
109.02985	12.1
121.02982	18.1
123.00909	18.8
123.04545	13.6
125.02460	51.3
133.82285	9.6
139.00359	16.8
151.00433	18.1
153.05644	11.4
162.89897	8.5
169.01367	46.5
177.54312	9.4
225.52710	9.3
227.69374	11.0
235.05873	11.5
235.13570	10.4
255.54803	9.9
272.05066	11.1
299.99005	11.8
315.01382	14.3
361.16650	41.7
404.14349	22.8
421.18854	16.4
447.05557	26.3
523.21838	100.0
531.12897	11.7
549.20007	15.4
566.16028	62.5
566.23785	17.1
567.24890	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	566.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.8
59.38014	0.7
61.98833	100.0
69.67076	2.5
69.67480	1.3
73.02975	0.7
98.21758	1.0
113.58759	0.7
163.37473	0.8
165.32060	0.8
217.24686	1.0
253.83397	0.7
479.69934	0.8
485.32889	2.0
507.31085	2.9
567.32642	1.3
593.04321	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.3
61.98834	100.0
65.31232	2.4
96.95996	3.9
98.21775	6.6
125.02466	7.9
125.06137	3.5
137.02484	4.1
164.04745	4.7
165.09209	8.7
166.09544	3.3
181.08733	6.5
190.43044	2.3
209.08209	37.3
210.08540	30.6
275.13046	2.6
372.13968	5.1
566.22870	31.2
567.31488	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	566.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	3.2
61.98833	100.0
62.91444	1.6
63.98771	2.2
65.79498	1.6
70.60709	3.2
79.83480	1.8
83.00626	1.5
89.04985	1.6
93.06017	1.8
96.96024	2.4
98.21244	1.7
111.31072	1.7
123.91422	1.7
161.30577	1.7
316.06586	1.9
432.85345	1.6
444.26129	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.0374
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	4.2
60.99320	9.7
61.98843	3.8
66.79630	1.2
71.01390	2.9
78.95917	19.2
88.98816	100.0
89.02447	4.0
96.96986	5.4
101.02390	1.3
134.92578	9.8
152.93637	6.3
156.30554	1.5
178.91634	1.9
179.05568	1.9
196.92633	5.3
224.92145	22.7
307.00082	1.5
341.10947	9.7
519.59894	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	6.6
61.98820	1.5
65.00314	1.5
69.35516	4.0
69.35906	1.4
71.01366	1.9
83.01391	1.6
85.02933	1.0
88.98819	0.8
89.02429	0.8
101.02395	1.2
107.01408	3.4
108.02194	4.5
109.02925	3.2
109.97914	0.8
113.02425	1.0
121.02959	1.7
123.00896	1.6
123.04531	1.6
124.01667	1.3
125.02402	2.8
126.78883	0.6
132.89095	0.7
135.00897	1.4
137.02448	1.0
139.00441	0.8
140.01154	1.6
148.01614	1.9
148.86391	0.8
151.00378	8.6
152.01138	3.2
153.01852	2.4
163.00330	2.2
168.00581	1.1
169.01418	2.9
174.03319	0.9
178.99886	4.0
193.08687	1.3
198.03093	1.0
199.04012	2.0
205.60118	0.7
209.98434	0.6
211.04091	1.4
215.03587	1.6
216.04329	1.5
226.02721	6.4
227.03517	5.1
243.02988	21.5
244.03447	1.1
245.04912	0.7
254.02161	6.8
255.02980	22.8
271.02484	90.2
272.03012	7.5
280.45035	0.7
285.03931	0.8
299.01944	1.6
300.02756	100.0
301.03461	26.9
302.03967	1.5
343.04272	1.3
445.07761	1.4
489.72800	0.9
567.11469	82.2
567.24384	16.3
568.11725	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	567.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.0
59.01382	45.1
62.27935	2.7
69.03456	15.6
71.01385	43.5
73.02946	7.9
79.01916	5.2
79.95747	3.6
81.03461	6.4
83.01385	6.0
85.02956	12.5
87.00887	3.9
89.02451	46.9
95.01390	14.7
97.02965	10.6
98.22523	7.5
99.00854	4.5
99.92627	4.1
101.02449	35.3
101.95464	2.8
107.01413	25.5
108.02185	41.3
109.02960	65.2
109.03706	3.5
111.00903	4.2
113.02473	22.2
116.92875	39.8
117.92873	18.3
118.92639	17.8
118.93450	3.7
119.03502	28.1
119.13882	2.6
119.75483	2.7
121.02963	24.1
123.00931	15.7
123.04542	8.0
124.01707	4.9
125.02457	76.5
131.03522	6.0
135.00847	13.1
137.02444	31.1
139.00374	5.6
141.43629	2.7
143.03508	4.4
149.02393	4.7
149.04485	4.3
151.00356	13.9
151.04077	2.9
152.01167	14.0
153.01945	100.0
161.04588	8.1
165.01904	3.0
165.05486	2.6
166.06360	8.7
167.03513	28.0
168.00613	8.1
168.02063	2.4
169.01425	66.5
169.06621	3.1
179.03506	3.2
179.05597	13.0
181.08688	5.0
195.03021	4.1
197.06064	34.5
201.91942	2.4
209.08267	2.9
211.02507	25.0
213.05589	7.4
215.07097	3.4
221.06650	11.7
229.97116	4.3
243.06639	63.6
263.07718	4.8
271.04660	42.2
297.06375	4.6
300.02689	7.9
301.03345	6.3
323.09955	8.7
331.06714	10.3
356.33313	3.2
447.09357	8.7
459.11469	48.7
567.16669	51.3
568.17157	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	567.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	0.7
59.01382	24.4
62.58092	0.8
62.87439	0.7
67.01859	1.0
69.10284	5.8
71.01042	0.6
71.01386	8.5
72.99298	1.3
73.02934	2.6
75.00866	0.7
79.01865	1.9
81.93024	0.7
83.01382	1.9
85.02937	3.6
87.00866	1.2
89.02425	3.0
90.51955	0.6
95.01389	2.2
97.02943	1.3
99.04514	2.6
101.02433	5.0
106.37035	0.9
107.01394	5.5
108.02181	1.4
109.02965	1.3
111.00864	2.3
113.02425	2.9
119.03458	0.9
123.00886	15.5
124.01691	1.7
125.02453	28.1
131.03508	0.8
135.06633	0.9
136.98776	1.3
137.02435	1.5
139.00392	5.2
139.11287	4.6
140.01155	2.8
141.01881	2.2
143.03506	1.0
151.00368	12.9
152.01176	1.6
153.01920	0.7
159.29309	0.6
165.05510	0.7
168.00638	5.4
169.01434	40.5
170.01782	0.9
179.03358	0.7
181.04964	0.7
181.12311	4.6
183.10262	8.0
199.13356	2.2
211.02493	21.0
225.11295	5.5
227.13005	3.7
227.14917	0.7
232.78326	0.7
241.03598	1.0
243.12361	22.1
253.03514	1.0
268.97995	0.7
271.01709	1.2
271.04599	20.0
272.04919	0.9
285.13440	8.4
287.76053	0.7
297.12137	1.0
313.05676	4.3
315.14560	2.3
331.06769	0.7
345.15707	7.9
368.78549	0.7
387.16479	1.1
405.17661	15.1
426.85226	0.8
447.18750	0.9
459.18732	1.6
477.19678	4.2
485.16690	19.8
486.17203	0.9
549.25775	1.6
565.68536	0.8
567.20667	100.0
568.21100	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60586	0.5
55.01848	0.9
56.24247	0.6
57.03423	0.7
57.72711	0.6
59.01384	5.5
67.01868	1.4
71.01389	5.3
72.99284	0.9
73.02914	2.0
79.01872	1.9
82.01752	0.8
83.01363	0.9
85.02940	2.2
87.00860	0.8
88.98800	1.6
89.02434	1.5
90.36185	0.7
93.03462	1.0
95.01369	3.0
97.02930	0.9
99.00908	0.8
99.04475	2.1
101.02414	2.3
107.01399	6.6
110.00111	0.6
111.00854	2.4
111.04563	0.7
113.02452	3.3
114.71175	0.7
123.00899	16.3
123.04437	0.8
124.01643	1.1
125.02454	25.8
127.00397	0.9
136.98750	1.5
137.02408	1.7
139.00375	6.6
140.01102	2.8
141.01918	2.5
150.99194	1.0
151.00378	14.2
151.03990	1.0
153.01894	0.8
155.10872	0.8
156.23384	0.7
163.03915	0.9
168.00673	6.2
169.01436	39.5
170.01727	1.2
174.44661	0.6
179.03316	0.9
211.02493	19.8
211.04195	0.7
215.58401	0.6
227.03468	7.3
228.04083	0.7
241.03381	1.0
253.03450	0.8
255.02991	12.3
256.03503	2.2
257.04590	0.8
271.04599	23.3
272.04877	1.7
283.04886	1.3
284.03256	14.6
285.03888	5.3
313.05774	5.4
331.06528	2.3
484.19330	0.8
485.16718	20.9
486.17020	1.5
567.11218	12.7
567.20569	100.0
568.11700	2.3
568.20917	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	567.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18046	0.4
55.01868	0.6
58.28220	0.5
59.01400	2.1
59.01628	0.4
67.01881	0.8
69.03462	0.4
69.41452	2.9
70.02737	0.5
71.01387	3.8
72.99282	0.5
73.02933	0.5
79.01903	0.9
81.03432	0.5
83.01392	0.8
83.05003	0.5
85.02941	1.3
86.07906	0.5
95.01378	1.7
96.99309	0.7
98.21819	0.7
101.02429	1.1
105.39346	0.5
107.01399	11.5
108.02167	2.1
109.02927	1.5
111.00917	2.4
111.04469	0.8
113.02423	0.9
113.09714	1.8
117.76819	0.4
123.00890	9.2
123.04538	0.5
124.01688	3.2
125.02454	28.4
127.00349	0.9
136.98784	1.9
137.02425	1.3
137.09795	0.8
138.03218	1.1
139.00410	4.5
139.07649	0.5
139.11281	0.8
140.01160	3.6
141.01921	1.1
142.12482	0.5
151.00383	4.6
151.03983	0.6
152.01147	1.4
153.01920	0.9
155.54298	0.5
165.09137	0.4
166.06335	0.8
166.99913	1.1
167.03499	0.9
168.00644	7.3
169.01428	35.0
170.01773	0.7
179.07143	1.7
181.08705	7.5
182.26624	0.5
191.95338	0.5
194.02171	1.3
199.09892	0.6
211.02484	29.3
223.06122	9.3
235.13416	0.8
237.07596	2.1
241.03563	0.9
245.87387	0.6
253.03580	0.6
253.14452	3.2
255.99992	0.4
259.64297	0.5
265.07166	17.6
266.07477	1.0
271.04593	26.1
272.04871	1.3
295.08115	0.9
301.39606	0.4
313.05634	2.6
315.07257	0.8
325.09140	2.6
331.06668	1.1
361.18521	0.5
507.18655	1.9
567.20746	100.0
568.12415	0.6
568.21063	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	567.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	18.7
61.98840	3.7
67.01900	1.7
71.01385	13.4
71.28536	2.1
72.99325	2.3
73.02977	3.1
75.39149	1.4
79.01930	1.7
81.03477	1.8
85.02970	5.0
87.00896	2.1
89.02446	9.4
95.01398	3.0
99.04538	3.3
101.02449	8.3
107.01408	14.7
109.03012	2.2
110.32268	1.3
111.00860	2.9
113.02489	6.1
116.92913	4.2
118.92725	2.9
119.03547	4.9
121.02998	3.3
123.00896	17.8
123.01652	1.7
123.04549	3.4
124.01739	2.6
125.02468	43.7
131.34999	1.6
137.02501	2.6
139.00433	6.3
139.03996	3.1
140.01222	2.1
141.01909	2.1
141.24858	1.3
149.02521	2.7
151.00378	12.3
151.04100	4.7
153.02013	5.0
161.02475	14.4
161.04584	1.4
162.03250	1.6
163.04059	1.8
164.04805	2.7
164.98393	1.7
165.05576	1.4
166.06401	3.4
167.03618	5.0
168.00671	8.3
169.01442	57.4
175.73347	1.5
176.04794	7.6
177.05614	2.6
179.03596	23.2
179.05670	3.5
179.07178	3.7
181.08766	2.0
191.07237	4.4
194.05840	21.0
194.07391	1.6
194.19775	1.2
200.85873	1.6
209.08211	45.7
210.08600	2.4
211.02496	13.8
218.11984	1.4
241.03694	1.4
271.02432	3.7
271.04816	13.4
300.02878	6.7
301.03378	1.9
313.05719	2.4
331.06641	1.9
359.13608	2.9
362.58527	1.6
485.16644	14.3
549.20172	2.0
567.21112	100.0
568.11053	3.6
568.21344	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	567.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.6
57.03451	2.3
59.01379	14.8
61.81200	1.8
61.98832	25.2
65.82035	1.8
67.01869	2.6
69.03471	2.1
69.93821	2.0
71.01382	18.3
72.99320	3.4
73.02935	8.0
79.01867	3.4
81.04510	2.0
81.26660	1.8
82.95409	1.9
83.01385	5.5
85.02944	12.0
87.00852	2.9
88.98807	8.5
89.02450	4.7
93.03490	2.9
95.01373	7.0
96.95979	2.7
97.02979	3.3
99.00887	4.1
101.02459	19.5
107.01398	10.6
108.02221	2.0
109.02954	5.2
111.00869	8.6
113.02455	9.4
114.45580	1.8
119.03560	2.4
121.02938	2.7
123.00024	2.5
123.00887	39.4
125.02455	46.6
127.00373	3.5
136.98788	3.8
137.02452	7.1
139.00407	15.3
139.03996	2.5
140.01234	9.6
140.02127	1.7
141.01883	3.2
150.03174	3.5
151.00388	23.3
151.04033	2.1
151.09785	1.9
152.01131	2.4
153.01924	6.8
153.05478	3.1
161.04539	5.1
161.05904	2.1
167.03621	2.1
168.00687	11.3
168.04272	2.3
169.01439	59.1
175.04013	1.8
181.08624	3.9
195.06622	2.4
197.04539	15.5
211.02448	2.4
248.28981	2.0
253.05009	3.4
271.09659	1.9
290.60065	1.8
313.05725	4.4
397.18784	26.3
415.19897	4.4
477.14127	4.7
493.20645	8.9
505.20822	67.1
506.21027	6.8
523.21844	33.6
537.19849	15.4
549.19800	100.0
550.20251	10.1
567.20593	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19197	0.3
61.98833	1.3
69.14083	2.7
75.66885	0.4
78.95906	0.6
79.56419	0.4
80.96519	0.5
98.22570	0.9
99.92597	5.0
100.93365	3.1
113.92612	0.5
115.92084	100.0
116.92178	3.1
116.92882	2.9
130.19035	0.4
132.92343	1.3
144.92310	0.7
164.14162	0.4
172.75061	0.4
201.44908	0.4
201.50339	0.4
281.24823	0.5
421.31168	1.4
423.32062	0.8
458.34903	0.5
467.31754	1.9
469.33054	1.8
567.24213	29.8
567.33105	1.0
568.24579	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	567.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37415	0.5
54.35950	0.5
57.03434	0.9
59.01382	8.8
61.98846	3.0
71.01367	2.6
71.28106	1.1
73.02945	5.2
79.95710	0.6
83.01389	5.2
84.24129	0.6
85.02946	1.1
87.04523	1.3
94.07030	0.6
95.05055	0.8
101.02463	3.2
111.08162	0.8
123.04542	1.3
125.02448	3.5
137.02461	1.9
137.06058	0.7
139.07690	1.1
139.11305	7.9
163.04041	2.0
164.04808	100.0
165.05234	3.3
165.09232	1.3
165.73874	0.6
167.03535	1.9
168.00558	1.0
168.03891	0.8
169.01424	2.1
169.12343	2.2
174.21541	0.6
179.07158	70.7
179.10478	1.4
180.07486	2.3
181.12410	2.5
183.10268	9.4
187.27722	0.6
197.11844	1.7
199.13458	0.7
209.04553	5.3
210.04955	2.0
211.02534	3.8
211.05116	1.0
225.07713	1.7
225.11319	12.8
231.10384	0.7
243.12375	9.0
244.12637	0.8
249.11391	1.6
267.12512	1.7
268.18170	0.6
271.04660	3.5
285.13431	1.5
291.12369	3.2
327.14618	2.5
329.08871	1.3
332.91922	0.8
369.15747	0.7
387.16736	5.8
483.72342	0.7
507.22397	1.2
508.66245	0.7
549.23126	1.2
567.24585	35.1
568.25183	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	567.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.0
61.98821	0.8
64.13108	0.5
65.00337	0.8
67.01878	1.1
68.99802	0.7
69.31388	2.9
71.01386	3.0
72.65141	0.5
72.99305	0.8
73.02948	0.5
79.01891	0.6
79.95738	0.9
83.01395	1.0
85.02944	1.3
89.02454	0.7
95.01389	2.3
96.95988	0.9
97.02939	0.9
98.21841	0.9
99.00890	0.8
101.02442	1.3
107.01416	3.0
108.02176	0.8
109.02941	1.2
111.00907	4.2
113.02447	0.6
121.02943	1.7
123.00887	9.8
124.01669	2.0
124.64980	0.5
125.02456	13.5
127.00381	1.7
136.98830	2.6
137.02469	1.6
139.00385	6.2
140.01166	7.0
141.01961	1.3
145.80634	0.5
150.03232	0.7
151.00366	7.4
151.03979	0.7
153.01974	2.5
154.99794	0.6
165.02063	0.6
165.05528	1.1
168.00658	15.7
169.01442	18.3
177.04053	0.7
181.05107	1.6
196.07375	2.9
211.02480	4.3
211.09755	4.3
265.62753	0.5
271.04626	1.7
276.79227	0.5
297.06186	4.3
313.05634	1.1
325.10959	0.7
328.66711	0.6
401.10684	0.7
485.15067	0.8
496.19589	0.5
497.20407	2.7
567.24518	100.0
568.24927	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	567.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69413	0.3
52.69712	0.4
56.79934	0.3
57.03437	0.5
58.46645	0.4
59.01375	2.0
60.52314	0.5
61.98834	2.0
63.36726	0.4
68.99843	0.4
69.03449	0.4
70.55672	0.8
71.01387	4.4
72.58337	0.4
72.99313	0.4
73.02953	1.4
76.27813	0.3
81.03463	1.5
83.01424	1.0
83.13689	0.3
83.28302	0.3
85.02959	4.9
87.04520	4.4
87.33676	0.4
93.03461	1.2
95.01378	2.8
97.59684	0.4
98.41859	0.4
98.78629	0.4
99.00890	0.8
101.02451	2.2
102.40714	0.4
107.01436	0.5
108.02187	58.2
109.02969	52.2
110.03300	1.0
113.02456	2.2
121.02937	1.4
123.00889	3.3
123.04521	1.3
125.02465	1.9
133.02963	0.5
134.03754	5.2
135.00914	0.6
135.04514	1.1
137.02451	1.0
139.00374	0.7
149.06093	2.3
151.00414	1.3
151.04010	1.7
152.01172	61.1
153.01962	27.6
153.09247	0.9
154.02373	0.6
159.04538	0.7
161.04594	0.9
163.04015	1.8
165.02037	1.1
165.05577	0.7
166.02686	0.9
168.00658	0.6
169.01460	1.5
177.02057	0.4
178.02728	0.4
179.03520	0.6
181.05043	1.7
182.05470	0.7
193.05115	0.8
209.06085	0.7
217.79803	0.4
219.07292	0.5
227.07172	0.9
243.06612	0.8
255.06665	8.6
256.06955	0.7
267.06503	0.6
269.08139	2.7
269.17752	1.2
293.47290	0.5
297.06119	0.5
315.07242	6.5
358.27737	0.4
368.99115	0.5
379.95547	0.5
385.49109	0.5
387.10846	0.5
404.17966	0.6
405.13507	10.4
405.18320	1.9
406.13724	0.9
567.24481	100.0
568.24768	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	567.245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.3
59.01381	16.6
61.98835	11.0
64.69868	1.6
69.11932	15.5
70.46596	2.4
71.01369	6.1
73.02942	4.8
85.02943	5.5
87.04520	2.8
93.03427	2.8
95.01384	2.8
98.21766	3.3
99.00855	1.7
101.02439	3.6
108.02180	53.5
109.02270	1.8
109.02972	35.5
111.00913	1.7
113.02483	3.6
121.02919	2.3
123.00916	3.6
123.04548	3.1
125.02444	5.7
125.06165	1.7
135.04552	2.2
137.02406	3.8
137.09682	2.2
139.00374	1.6
143.36984	1.7
151.00282	2.9
151.04027	3.2
152.01169	54.8
152.02399	3.5
153.01978	16.7
155.10802	10.0
164.04799	1.8
169.01450	5.8
171.77740	1.6
179.07137	4.4
183.10262	5.3
199.09738	6.5
225.11421	2.4
243.12352	10.9
285.13434	4.8
300.02802	2.0
301.03583	3.2
315.07272	4.6
333.60352	1.7
345.15567	5.6
373.15140	4.0
405.17984	2.2
550.88788	1.6
567.24463	100.0
568.24847	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	567.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	0.5
56.26593	0.5
57.03450	0.7
66.39589	0.6
67.11032	0.9
69.09131	1.5
69.09541	3.0
71.05028	1.1
79.01899	1.2
83.01382	0.7
83.65871	0.6
85.06598	1.2
87.04520	1.0
95.05052	3.8
97.02960	2.3
107.08681	2.6
109.02966	0.8
109.06605	2.6
111.04533	7.9
113.09772	0.9
122.03761	0.6
123.04588	1.0
123.08175	4.3
124.73477	0.6
135.04524	0.7
137.02368	0.7
139.04021	7.2
141.09175	1.1
147.08128	1.1
150.06914	1.5
151.03990	1.6
151.07678	1.1
163.07619	0.8
165.01950	1.1
165.09215	23.9
166.02690	0.6
166.09569	0.9
167.07126	1.2
177.01888	0.9
177.09157	1.2
179.03557	2.0
179.10760	1.4
180.04285	1.7
181.08702	3.0
183.06610	0.7
189.09245	1.3
191.07158	2.1
192.07942	1.4
193.08704	1.9
195.06665	2.7
201.12909	1.1
205.05000	1.1
205.08717	1.1
207.06674	1.2
208.07355	1.0
209.08203	100.0
210.08569	3.7
219.06645	1.8
220.07222	1.1
221.08221	5.7
222.08929	1.1
223.09741	1.2
230.05836	0.6
243.14041	0.8
245.11818	5.2
248.06909	26.3
249.07690	5.6
257.15521	0.7
287.12802	3.2
292.73764	0.6
313.17996	1.7
317.13995	0.6
329.17654	2.3
331.12009	1.1
331.15506	5.4
331.19058	1.0
336.50433	0.6
341.13419	0.7
357.17090	90.6
358.17477	7.2
385.20416	0.8
567.25458	11.5
568.25366	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88573	0.8
59.01383	5.0
61.34951	0.7
61.98834	15.2
69.38256	3.5
69.38676	1.6
71.01389	4.0
72.01717	0.7
73.02971	2.5
77.95486	0.9
80.52749	0.7
80.91688	8.5
85.02978	2.2
87.04532	2.5
94.72346	0.7
95.05025	0.8
96.96063	0.9
97.02959	1.1
98.22635	0.8
101.02480	2.1
102.58289	1.0
107.01423	1.7
108.02184	1.4
111.00934	1.0
123.00946	2.2
123.04546	0.8
125.02494	3.5
135.08258	3.0
136.05394	1.0
137.09720	12.8
138.06921	1.5
139.00403	0.9
151.00465	1.1
151.07680	1.1
152.01216	1.2
152.08482	2.0
153.09242	5.9
155.10789	70.2
156.11177	1.5
163.11446	1.2
168.00697	1.2
169.01486	4.0
169.12341	1.3
181.08775	3.1
199.09753	19.1
200.10121	1.2
205.12402	4.6
211.02596	1.3
213.11345	1.4
232.14397	0.8
241.10947	3.5
253.05661	1.0
271.04660	1.5
325.05701	0.9
346.46216	0.9
362.60391	0.9
507.09891	1.1
567.28424	100.0
568.28827	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	567.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75187	0.5
61.98677	2.6
61.99041	1.5
69.04454	1.3
69.04861	3.8
72.73137	0.5
83.39444	0.6
96.11375	0.5
96.95824	2.0
98.21798	1.0
119.77281	0.6
133.02800	0.6
134.03627	0.6
135.04306	3.5
169.82729	0.5
179.03229	1.6
193.04813	0.7
206.39987	0.6
222.38750	0.6
233.44681	0.7
238.05670	0.7
272.11603	0.5
421.30969	1.9
439.32422	3.9
440.31766	0.6
441.33777	26.0
442.33896	1.9
485.32742	100.0
486.33090	11.3
567.22961	1.9
567.33118	39.3
568.33673	3.8
581.68866	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.333
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23244	0.3
65.00306	0.5
70.69516	0.4
73.56371	0.4
79.05536	0.5
81.03452	0.8
85.01443	0.4
85.06569	1.2
106.43091	0.5
107.05061	0.4
109.06594	2.3
111.04535	3.9
113.09731	0.9
113.45129	0.4
117.09793	0.5
124.01653	1.7
135.98619	0.3
140.36577	0.4
151.00363	0.4
151.06563	0.4
151.07677	3.3
151.32501	0.4
152.01175	4.6
154.71568	0.4
175.11290	0.4
177.12857	0.7
181.08733	4.3
183.45056	0.4
184.21214	0.4
191.10823	0.6
194.05858	6.4
195.06607	1.6
201.12880	1.5
205.04942	0.5
207.06700	0.7
215.10698	1.0
217.12376	1.4
217.15981	0.6
219.06688	0.9
219.13985	1.2
233.08243	1.2
235.09703	1.2
244.69328	0.5
245.08542	0.6
245.15393	0.9
261.11304	3.1
261.14883	1.3
263.12885	1.1
285.18436	0.7
287.20187	8.9
289.14456	1.5
330.85880	0.4
331.19162	100.0
332.19473	6.7
368.65363	0.5
385.23834	7.3
386.24155	0.8
483.13913	0.4
484.88519	0.5
562.29089	0.5
567.33282	34.1
568.33551	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	567.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
69.84628	0.4
79.05519	0.8
81.03468	0.8
85.06592	1.5
109.06609	2.8
111.04506	3.6
113.09706	1.0
119.24230	0.5
120.00642	0.5
124.01656	1.7
127.36691	0.5
128.34880	0.5
151.00421	0.6
151.07648	4.6
152.01144	6.5
159.71143	0.5
177.09123	0.5
177.12857	0.9
181.08704	5.2
191.10732	0.8
194.05830	9.3
195.06520	1.5
201.12793	1.8
205.05042	0.8
217.12346	1.3
217.15984	0.9
219.06723	0.7
219.13846	1.8
233.08336	0.8
235.09685	1.3
245.19014	0.5
261.11349	5.6
261.14899	1.6
263.12854	1.2
285.18619	1.1
287.20227	10.0
288.20468	0.6
289.14520	2.5
331.19153	100.0
332.19571	7.3
365.67740	0.5
385.23837	8.6
449.33026	0.5
567.33276	28.5
568.33698	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	568.0948
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30586	0.4
59.01382	3.1
61.98833	100.0
69.08675	1.3
69.09094	2.1
71.01380	1.8
73.02944	0.5
83.01417	0.6
85.02969	0.8
89.02448	0.6
93.03472	0.6
95.01420	0.7
101.02494	0.6
107.01431	1.8
111.00879	0.7
112.63975	0.4
113.02478	0.9
121.92072	0.4
123.00919	4.1
124.01697	1.0
125.02457	7.2
127.96540	0.4
135.04564	0.5
136.98854	0.4
137.02483	0.9
139.00414	1.7
140.01138	0.7
141.01967	0.9
151.00372	2.3
151.04042	0.5
153.02023	0.5
155.10800	0.5
163.04060	0.7
165.01990	0.5
165.05550	0.9
168.00710	1.3
169.01431	13.0
169.02791	0.7
170.06664	0.5
177.05695	0.5
181.05016	0.5
211.02562	1.4
211.06209	1.1
212.06712	0.6
220.22282	0.5
271.04788	0.9
290.28510	0.4
313.05841	0.8
328.02313	0.5
331.06647	0.6
343.04578	0.5
346.05420	0.8
405.15469	0.5
406.16299	1.0
567.24860	1.3
568.25110	2.6
569.22137	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.3
61.98833	100.0
69.06310	7.5
69.06654	0.8
71.01374	3.4
73.02943	1.3
79.01909	1.0
85.02972	1.2
86.02365	0.8
87.04503	2.1
88.54099	0.9
89.02448	2.0
97.02993	1.0
99.04539	1.2
101.02454	2.8
104.72066	0.8
107.01379	1.6
108.02227	1.5
108.92963	0.8
109.02937	1.6
111.00838	0.9
111.04519	1.4
113.02475	1.2
123.00913	5.0
123.04579	1.5
124.01199	1.1
125.02460	6.9
137.02473	2.0
137.09738	1.7
139.00342	2.4
140.01260	1.1
151.00371	3.5
151.03970	1.2
153.01819	0.9
153.05600	1.6
155.10765	7.4
156.11108	2.9
163.04048	0.9
164.04752	1.1
165.01950	2.1
165.05525	0.8
166.87053	0.9
168.00655	1.2
169.01440	10.0
170.01714	1.4
178.90028	0.8
179.03418	0.9
191.03510	0.9
195.06583	1.7
199.09741	7.6
200.10127	2.4
211.02441	1.8
225.59480	0.9
228.42926	0.9
241.10664	1.8
242.55902	0.9
253.10916	1.1
254.11349	1.1
271.04611	1.5
274.43234	1.1
301.13007	1.3
302.13269	1.7
362.15216	1.4
415.25247	0.9
415.51248	0.9
537.22083	0.9
567.23572	1.0
568.24933	25.8
569.25812	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	568.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.3
61.98833	100.0
69.06310	7.5
69.06654	0.8
71.01374	3.4
73.02943	1.3
79.01909	1.0
85.02972	1.2
86.02365	0.8
87.04503	2.1
88.54099	0.9
89.02448	2.0
97.02993	1.0
99.04539	1.2
101.02454	2.8
104.72066	0.8
107.01379	1.6
108.02227	1.5
108.92963	0.8
109.02937	1.6
111.00838	0.9
111.04519	1.4
113.02475	1.2
123.00913	5.0
123.04579	1.5
124.01199	1.1
125.02460	6.9
137.02473	2.0
137.09738	1.7
139.00342	2.4
140.01260	1.1
151.00371	3.5
151.03970	1.2
153.01819	0.9
153.05600	1.6
155.10765	7.4
156.11108	2.9
163.04048	0.9
164.04752	1.1
165.01950	2.1
165.05525	0.8
166.87053	0.9
168.00655	1.2
169.01440	10.0
170.01714	1.4
178.90028	0.8
179.03418	0.9
191.03510	0.9
195.06583	1.7
199.09741	7.6
200.10127	2.4
211.02441	1.8
225.59480	0.9
228.42926	0.9
241.10664	1.8
242.55902	0.9
253.10916	1.1
254.11349	1.1
271.04611	1.5
274.43234	1.1
301.13007	1.3
302.13269	1.7
362.15216	1.4
415.25247	0.9
415.51248	0.9
537.22083	0.9
567.23572	1.0
568.24933	25.8
569.25812	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	568.204
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55683	0.3
59.01380	3.0
61.98835	100.0
69.30865	1.8
71.01393	2.1
73.02966	0.7
83.01425	0.5
85.02993	1.0
89.02466	0.6
93.03443	0.3
96.96070	0.5
98.33066	0.3
101.02457	1.7
101.07363	0.3
108.35737	0.3
113.02472	0.6
116.92863	1.7
123.00922	0.5
125.02479	1.6
131.70012	0.3
133.03003	0.4
135.04512	0.4
137.02483	1.3
139.00351	0.4
139.04102	0.3
139.34639	0.3
147.93704	0.3
151.04054	0.5
153.02020	0.6
155.05020	0.4
161.02498	1.2
162.02930	0.6
164.04759	0.4
169.01440	0.8
181.05049	1.5
182.05505	0.7
196.07390	1.8
197.07870	0.9
201.05756	0.3
211.09779	2.6
212.10162	1.0
243.06839	0.8
244.06915	0.8
324.08224	0.9
373.15085	6.0
373.19391	0.6
374.15387	8.8
388.17526	0.3
505.21249	1.0
568.16180	0.6
568.25006	5.7
569.23938	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	1.2
61.98834	100.0
68.49709	0.2
69.52052	1.2
71.01379	0.8
73.02969	0.3
76.66566	0.3
85.02959	0.3
87.04511	0.6
101.02486	0.6
122.91065	0.3
123.00915	0.6
125.02495	1.0
137.02509	0.3
137.09781	1.1
138.10126	0.3
151.00333	0.3
152.01393	0.3
155.10788	6.1
156.11122	3.0
169.01462	1.5
171.72112	0.3
181.08835	0.5
199.09813	1.7
200.10191	0.6
205.12354	0.5
241.10992	0.3
254.11050	0.3
285.97733	0.3
331.06961	0.3
366.58368	0.3
406.19968	0.3
500.54099	0.5
521.04535	0.3
568.28790	13.7
569.22882	1.9
569.29730	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1515
Annotation	Tenuiphenone B
Peak:m/z	Relative Intensity
59.01371	1.4
68.99813	1.1
69.08932	5.2
70.16389	0.6
71.01366	3.3
81.03437	1.8
83.01388	1.3
85.02924	1.8
86.47709	0.7
87.00857	0.8
89.02415	0.8
93.03451	1.1
95.01368	2.2
96.96021	1.2
97.02927	1.4
97.98286	0.7
98.21730	1.2
101.02470	1.2
107.01423	1.3
108.02186	72.8
109.02969	31.6
109.04070	0.9
111.00845	2.4
116.92819	0.7
121.02924	3.0
123.00882	6.1
123.04494	2.1
124.01640	1.7
125.02446	6.1
127.00323	2.0
135.00829	1.9
136.01602	1.1
136.98785	1.1
137.02483	4.9
138.03165	2.4
139.00369	3.2
139.03969	2.3
140.01205	0.9
149.02422	2.0
150.03201	1.4
151.00346	1.0
151.03961	2.6
152.01166	60.1
153.01959	23.3
153.05553	5.4
154.02525	0.7
155.03423	0.9
161.02415	0.8
163.03992	2.3
164.04723	1.2
165.01920	2.1
165.05518	2.1
166.02625	1.8
166.06367	4.2
166.99779	1.8
167.03453	1.9
168.00615	2.6
168.04274	0.7
169.01405	4.7
177.05643	0.7
181.01488	3.4
181.05061	0.8
182.02246	5.1
183.03003	10.2
193.01530	0.7
195.02948	1.5
195.06596	1.7
196.03799	0.9
197.03137	0.6
197.04570	6.8
225.03952	2.0
239.05588	1.3
257.06638	3.2
271.08173	1.5
297.06149	1.1
298.67471	0.8
300.99954	1.1
303.17087	0.7
311.03949	0.7
326.06180	1.9
327.07184	5.7
340.99173	0.8
341.08774	3.6
342.93262	0.8
387.09116	2.3
401.10995	6.5
407.16907	2.0
432.90454	0.8
447.16333	1.0
451.12424	5.5
494.10031	1.9
495.11539	9.7
496.11865	1.2
506.29367	0.6
525.16394	0.8
537.12061	2.3
569.14905	100.0
570.15186	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	569.1883
Annotation	Pyrolaside A
Peak:m/z	Relative Intensity
57.03436	0.5
59.01137	0.6
59.01385	6.8
61.98827	0.8
67.01878	1.4
69.03436	0.7
71.01386	3.5
72.99312	1.0
73.02916	0.4
78.25704	0.4
79.01892	1.7
80.48221	0.4
85.02945	1.0
87.00842	0.6
88.39360	0.4
89.02470	2.1
95.01393	4.9
96.96022	0.7
97.02957	0.6
100.14289	0.4
101.02443	1.7
103.05558	0.6
106.04276	0.6
107.01396	1.0
109.02964	1.5
111.00912	2.6
113.02451	1.2
119.03513	0.4
119.04993	0.4
121.02950	0.7
121.06602	0.5
123.00900	23.0
123.04500	0.6
124.01754	0.9
125.02461	12.9
126.02749	0.5
127.00362	1.1
136.98836	1.5
137.02464	1.6
138.03232	0.5
139.00395	6.7
139.04008	1.8
140.01129	2.5
141.02011	2.2
150.03287	2.7
151.00368	1.3
151.03983	1.1
152.01202	0.7
153.01968	0.7
153.05502	0.5
163.04042	0.6
164.04762	1.3
165.01912	0.8
165.05573	3.0
165.09312	0.7
166.06358	0.9
166.99879	9.1
167.03458	0.6
168.00633	4.5
169.01431	16.3
169.02835	0.9
179.03520	0.6
179.07114	1.0
180.04391	0.6
181.01395	0.8
181.08698	0.6
182.02150	0.7
183.03000	2.4
183.06664	0.6
193.08699	0.7
194.99338	1.3
195.02953	1.1
195.06619	1.9
196.07449	0.6
197.11769	2.2
209.08208	3.2
211.09825	0.7
223.09753	0.6
239.39041	0.4
241.04982	0.7
241.10814	3.6
242.05878	0.7
283.11841	1.5
289.07199	1.8
302.08078	0.6
303.08911	1.0
313.13037	0.5
314.07935	1.8
317.06693	5.9
318.07407	7.0
331.08215	2.9
332.09015	24.1
333.09753	8.2
334.10123	0.4
343.13947	1.9
371.13376	1.8
374.09930	2.5
375.10709	0.7
389.12292	3.2
407.08359	0.5
407.13403	1.4
509.16165	0.5
569.18738	100.0
570.19061	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	569.1878
Annotation	Pyrolaside A
Peak:m/z	Relative Intensity
54.45079	0.6
59.01367	1.8
67.01894	1.2
69.79503	1.3
69.79827	1.0
71.01373	3.0
71.20875	0.6
79.01862	1.3
80.51128	0.7
85.02961	1.0
95.01414	2.2
98.21857	1.2
101.02459	1.0
107.01398	6.9
108.76898	0.6
109.02894	0.8
111.00860	3.3
113.02480	0.9
121.02959	4.3
121.25033	0.6
123.00897	18.9
124.01675	2.6
125.02457	22.5
127.00410	1.4
136.98824	1.7
137.02454	1.0
139.00378	6.7
140.01173	6.6
141.01917	1.4
151.00371	9.7
158.90724	0.7
163.03952	0.8
166.06360	18.7
166.07712	1.2
166.99799	0.7
167.07121	1.5
168.00645	7.8
169.01440	26.3
181.08745	5.8
183.02989	2.9
191.33524	0.6
211.02487	4.3
225.04062	2.8
271.04785	0.8
285.06244	1.4
313.05771	2.0
371.09851	1.0
387.09418	2.0
404.75464	0.7
569.18762	100.0
570.19043	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	569.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.2
59.01383	9.6
61.98808	1.2
67.01884	2.1
68.99815	0.9
70.40839	1.9
71.01378	9.5
72.99299	1.9
73.02943	3.0
73.31353	1.0
74.99096	1.9
78.91890	0.9
79.01916	1.0
83.01382	2.3
85.02968	5.0
87.00882	2.1
89.02453	1.9
95.01392	2.4
98.02760	0.9
101.02454	6.7
106.65520	1.0
107.01411	8.2
108.02163	1.2
109.02955	2.2
111.00887	4.5
113.02430	2.9
116.92876	6.0
120.99629	0.9
121.02951	4.3
123.00889	18.5
124.01702	1.4
125.02460	23.9
127.00372	1.5
135.04533	1.1
136.01639	0.9
136.98740	1.5
137.02431	3.9
139.00407	8.3
139.03940	1.3
140.01184	5.3
141.01823	1.9
147.00888	2.8
148.01625	1.8
149.02399	1.8
151.00375	8.4
151.04050	1.6
152.01158	2.8
153.01888	2.5
163.04018	3.9
164.01212	1.0
164.04762	2.0
165.01936	16.5
165.05411	1.2
166.06363	19.0
167.03400	1.1
167.07144	2.1
168.00696	6.2
169.01447	24.2
171.10266	2.5
175.81984	0.9
179.03502	7.2
179.07118	1.5
180.04272	8.4
181.04944	1.2
181.08699	8.0
183.02945	3.7
194.05807	1.4
195.02867	1.0
195.06636	8.9
210.05386	1.5
211.02534	4.7
220.03427	0.8
225.04039	1.3
225.07631	4.7
247.14708	0.8
285.06128	1.8
313.05664	1.2
329.10419	1.3
343.13922	5.1
344.12854	1.5
359.14948	2.7
384.55377	0.9
387.09445	1.4
468.54272	1.2
521.20337	38.0
522.20502	2.8
558.20636	1.0
569.18683	100.0
570.19031	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	569.2243
Annotation	Ro 09-1468
Peak:m/z	Relative Intensity
51.52984	0.4
54.76883	0.4
57.03434	0.5
59.01167	0.4
59.01390	3.8
61.98836	1.0
65.00327	0.4
67.01888	1.0
69.09367	3.6
71.01095	0.4
71.01401	4.6
72.99313	0.5
79.01884	0.9
83.01400	1.0
85.02966	1.9
85.08428	0.5
89.02444	1.1
93.03476	0.6
95.01393	2.1
96.96027	1.0
96.99355	0.5
97.02963	0.9
99.00909	0.7
99.04546	1.3
101.02444	2.6
101.06108	1.2
107.01404	5.5
108.02147	0.8
111.00867	2.5
113.02472	2.7
113.06112	0.7
121.03016	0.7
123.00887	15.1
124.01665	1.3
125.02459	28.6
126.02805	0.8
127.00417	0.6
135.04565	0.6
136.98822	1.3
137.02492	1.7
139.00389	4.8
140.01180	2.8
141.01959	1.9
141.38187	0.5
149.02448	0.9
150.03226	0.7
151.00383	11.6
151.04027	1.3
153.01953	0.6
162.03244	5.5
165.01991	0.8
165.05577	0.9
167.03569	0.7
168.00673	5.4
169.01442	36.7
170.01718	0.9
177.05602	4.5
179.03540	1.4
180.04381	0.9
181.05043	1.1
182.02303	0.8
187.39371	0.5
191.03358	0.5
194.05826	0.8
195.02994	0.6
195.06593	1.7
197.04558	1.7
209.08183	0.8
211.02486	18.3
241.03622	0.5
269.04767	0.5
271.04602	19.5
272.05045	1.1
272.83707	0.5
313.05609	2.9
331.06772	2.1
394.34726	0.5
421.27252	0.5
485.16592	6.0
569.22418	100.0
570.22778	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	569.2244
Annotation	Ro 09-1468
Peak:m/z	Relative Intensity
55.01879	0.7
57.03464	0.5
59.01384	4.0
61.98829	2.4
67.01882	1.1
68.99800	0.5
69.03419	0.5
69.16096	2.3
70.81589	0.4
71.01389	3.9
71.05019	0.7
72.99306	0.6
73.02954	0.9
79.01895	1.1
83.01389	1.0
85.02956	2.1
87.00879	0.9
89.02441	1.0
90.40378	0.3
93.03473	0.4
94.89681	0.3
95.01404	1.7
97.02952	1.0
99.00849	0.4
101.02444	2.1
107.01393	5.5
109.02950	0.7
110.00123	0.5
111.00879	2.0
113.02451	1.8
123.00893	15.5
124.01643	1.2
125.02456	22.1
126.02738	0.4
126.38371	0.4
127.00363	0.6
136.98802	1.3
137.02426	1.9
138.03223	1.0
139.00388	5.8
139.03961	0.4
140.01186	3.0
141.01944	2.0
151.00366	10.4
151.03990	0.9
152.01064	0.6
153.01906	0.9
153.05550	0.5
155.10797	1.5
161.04593	0.5
163.04016	0.6
165.01926	0.5
167.03572	1.0
168.00642	3.8
169.01436	30.1
170.01749	0.8
179.03508	0.8
180.04297	0.5
181.05074	0.6
183.10283	0.9
195.06635	1.2
201.71844	0.3
209.04630	0.6
209.08255	0.4
211.02467	4.2
223.02434	0.7
253.03502	0.6
271.04578	5.6
313.05701	3.9
334.04990	0.4
362.90561	0.3
375.13010	1.2
385.11404	2.0
406.00653	0.3
485.16315	1.0
497.16913	0.5
551.21381	3.8
569.22388	100.0
570.22626	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	569.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	3.1
59.01384	56.9
69.27334	1.4
69.27738	3.6
71.01388	6.4
73.02957	5.1
74.32232	0.8
83.01398	5.3
83.05015	1.7
85.02917	2.6
87.00894	4.1
89.02439	0.9
95.01350	1.4
97.02935	1.6
97.06531	1.0
99.00857	1.2
99.04497	1.4
101.02448	4.9
107.01387	1.3
109.06580	1.0
110.00061	2.2
111.00842	1.2
113.02409	3.9
119.08636	1.8
121.06524	2.3
123.00826	3.1
123.04547	1.0
125.02463	8.7
125.06046	1.1
133.10165	2.7
135.04520	1.6
135.08197	4.0
135.11737	1.3
137.02394	2.5
137.09747	13.4
137.99556	4.4
139.00267	3.4
140.01076	1.1
141.05513	1.1
151.00342	2.7
153.01949	100.0
154.02480	1.8
159.08243	0.9
161.04507	2.4
161.09729	8.1
163.06549	0.8
163.07664	13.4
167.34714	0.8
168.04294	93.6
169.01468	7.7
169.04790	2.8
179.10803	10.3
181.08722	18.4
183.06630	47.6
197.11819	5.0
203.10779	1.0
205.08575	2.3
211.02264	1.5
211.22914	0.9
221.11810	1.0
223.09773	17.7
229.08636	1.6
237.11420	0.9
241.10916	5.8
247.09590	2.6
265.10629	3.8
271.04224	1.3
283.11795	1.2
307.11664	1.8
324.30789	0.8
325.12720	3.2
385.14810	3.4
507.92920	0.8
551.21863	4.7
569.22076	94.0
570.22394	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	569.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.3
57.03444	1.9
59.01381	12.2
61.98797	1.4
67.01888	1.2
69.24779	1.7
69.25185	4.1
71.01384	13.6
73.02942	5.5
73.09058	1.0
74.99089	2.5
83.01379	4.1
85.02950	6.6
87.00858	3.8
89.02433	4.0
95.01369	3.7
99.00905	1.9
99.92586	1.4
101.02454	8.5
107.01405	6.2
108.02141	1.7
109.02945	2.2
111.00881	4.8
113.02430	4.1
116.92876	15.8
119.01378	2.4
121.02943	5.3
123.00893	15.6
124.01669	1.7
125.02456	21.4
134.07867	0.9
135.04449	2.2
136.98846	2.2
137.02458	7.1
139.00368	5.7
140.01147	6.3
141.01901	1.8
147.00850	4.7
148.01607	3.8
149.02422	3.6
151.00414	7.4
151.03967	2.0
152.01128	3.0
152.35426	1.0
153.01886	2.0
154.99873	1.3
161.04575	1.6
162.03157	1.4
163.04018	6.0
164.04755	5.0
165.01933	34.1
166.02432	1.1
166.06358	23.3
167.07089	2.6
168.00632	8.4
169.01421	25.2
171.10248	1.8
179.03529	13.4
179.07066	4.0
180.04289	15.6
181.05086	1.2
181.08694	12.3
182.02049	1.4
183.02969	2.4
194.05870	2.4
195.06647	18.5
210.05305	3.8
211.02411	3.4
223.88208	1.1
225.03964	2.4
225.07623	9.0
285.06000	1.8
289.48563	1.1
313.05676	1.3
313.10794	1.1
318.11197	1.0
320.67706	1.0
329.10297	3.0
343.14029	11.5
344.12595	4.2
359.15082	5.2
371.09875	1.1
387.09232	1.5
396.68115	1.3
465.28818	1.0
477.74249	1.1
506.17581	1.1
521.20300	73.3
522.20123	4.7
569.18597	100.0
570.18665	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	569.224
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	9.8
61.98827	3.2
65.07535	1.1
69.07431	8.1
71.01380	3.5
72.99288	1.5
83.01379	1.4
85.02968	2.1
87.00877	1.0
89.02413	3.3
96.96009	1.1
97.02935	1.4
98.18040	1.1
101.02412	2.5
109.02946	1.7
111.00891	3.3
112.35113	1.1
113.02442	1.6
116.92859	1.3
119.03517	1.3
121.02949	2.8
123.00895	3.1
125.02431	4.7
135.04533	12.7
136.01620	1.2
137.02458	11.0
139.04016	7.8
149.02434	29.9
151.00378	1.8
152.01175	1.3
152.04768	3.6
153.01891	2.1
153.05582	1.2
163.03926	1.2
164.04799	100.0
165.01816	1.8
165.05219	2.7
165.09135	1.7
167.07095	6.8
167.35336	1.1
168.00659	1.7
169.01408	4.9
179.07135	88.8
180.07466	2.5
194.05807	1.5
197.04581	2.9
197.08125	1.7
209.08185	9.8
211.02608	1.3
212.06926	12.5
227.07109	2.0
227.09258	29.6
243.12425	1.6
271.04523	2.0
283.08279	1.5
329.12375	9.6
371.13452	4.4
407.17227	16.4
569.22766	16.3
569.31537	2.0
570.22717	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	569.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.2
61.98812	1.0
67.01875	0.8
69.15633	0.5
69.17632	3.5
71.01387	5.2
79.01897	1.2
83.01381	1.2
85.02934	2.2
87.00867	0.7
88.10013	0.6
89.02417	1.3
95.01391	2.7
97.02950	0.9
99.04491	1.1
101.02399	2.2
101.06009	0.9
107.01409	5.7
111.00843	2.1
113.02411	1.9
122.16339	0.5
123.00891	16.1
124.01611	1.5
125.02461	27.5
127.00384	0.6
136.98843	0.9
137.02426	0.9
139.00394	5.9
139.70946	0.6
140.01186	3.2
141.01898	1.8
149.02388	0.7
151.00383	12.2
153.01945	1.5
164.04703	0.6
167.03432	0.9
168.00661	6.2
169.01445	38.5
179.07048	1.4
181.08725	2.5
183.10159	1.0
211.02501	16.7
212.02657	0.7
223.02596	0.6
225.11440	0.6
234.39558	0.6
241.03430	0.7
243.12399	0.6
253.03239	0.7
271.01825	1.2
271.04605	20.2
272.04791	0.6
313.05582	3.3
331.06497	2.1
346.75092	0.5
452.62616	0.5
471.45514	0.6
485.16595	6.4
569.22113	100.0
570.22522	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	569.226
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17076	0.3
54.64369	0.3
57.03434	0.3
59.01381	4.8
61.98819	1.9
63.32048	0.3
67.01887	0.6
67.38818	0.3
69.03440	0.3
69.17931	2.6
70.81573	0.4
71.01387	3.8
71.04996	1.3
72.99277	0.8
73.02921	0.4
79.01882	0.9
83.01366	1.0
85.02924	1.4
85.06592	0.7
87.00864	1.4
87.04521	5.1
89.02444	1.9
95.01398	1.7
97.02948	0.6
97.06589	1.4
99.00853	0.5
101.02426	2.5
101.06115	1.7
107.01394	5.9
108.02209	0.4
109.02918	0.7
111.00886	2.0
113.02441	1.5
115.07640	0.3
119.03500	0.5
121.02914	0.4
123.00030	0.6
123.00893	9.0
124.01718	1.6
125.02451	23.1
127.00368	0.9
127.07658	0.3
127.11268	1.2
135.04466	1.0
136.98799	1.2
137.02449	0.7
139.00383	4.2
140.01144	3.1
141.01889	1.2
142.06284	0.8
143.10764	0.4
149.02449	1.9
151.00377	7.6
151.03984	1.0
152.01091	0.7
153.01855	0.7
153.05476	0.5
155.10765	1.5
157.12299	1.1
163.04041	0.4
164.04805	3.0
166.99905	0.4
167.03482	0.4
168.00647	6.7
169.01431	37.9
170.01808	0.7
179.07143	2.6
183.10223	1.1
193.01410	0.4
193.05005	0.3
199.09726	0.9
211.02492	8.7
241.03485	1.7
253.03392	0.7
254.15184	1.0
255.15875	1.1
271.01749	0.7
271.04596	12.6
287.05594	0.4
297.06061	0.9
301.03131	0.5
313.05695	6.9
331.06824	2.2
359.14859	0.9
370.16519	0.3
379.78525	0.3
527.61121	0.3
569.22223	100.0
570.22528	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03476	0.8
59.01372	2.4
61.98836	10.3
66.24036	0.6
71.01387	2.1
71.27762	1.2
79.95742	0.9
81.03481	0.7
83.01374	0.9
85.02952	1.0
89.02451	1.0
95.05050	1.1
107.05055	1.5
108.02211	1.3
109.02960	1.6
111.00909	0.8
112.98843	0.7
121.02965	5.4
123.00906	2.3
123.04517	1.4
123.08150	0.7
124.01670	0.9
125.02479	2.1
135.04547	21.7
136.01691	11.5
137.02444	2.1
139.00385	2.5
139.04001	0.9
146.50374	0.6
149.02460	50.5
150.02824	1.6
151.00333	1.2
151.04024	18.9
158.69843	0.7
159.04564	0.8
163.04002	1.1
164.04811	100.0
165.05251	2.9
166.02713	2.9
167.03574	0.7
169.01454	2.4
171.93538	0.6
176.04843	0.7
177.05661	1.4
178.02718	1.2
179.07153	75.4
180.07491	2.3
181.05135	4.2
181.08714	1.6
189.05571	1.0
191.07130	1.7
192.04401	1.2
192.07884	1.5
193.05084	2.4
195.06500	0.8
209.08096	1.0
311.09244	1.3
326.11472	3.0
341.13916	5.0
344.12579	1.8
359.15024	30.2
360.15448	2.3
371.15021	1.8
389.16049	9.9
473.00708	0.6
533.30768	0.9
569.25177	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	569.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18697	0.9
61.98810	3.0
69.59193	4.1
96.96939	1.3
99.92597	60.6
100.93375	3.2
113.92642	1.2
115.92089	58.9
116.92137	2.3
116.92883	6.3
145.02895	1.3
145.53206	1.0
151.32530	1.2
164.31972	1.0
215.38348	1.1
262.45148	1.2
311.45578	1.1
350.37073	1.0
371.41830	1.0
381.27805	2.6
455.35233	1.3
469.33359	4.0
471.34509	5.7
511.21442	3.1
538.66309	1.1
543.20593	1.8
551.25208	1.7
552.69739	1.2
569.25806	100.0
569.34772	4.0
570.26111	15.1
583.23383	2.4
583.48328	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.258
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43065	0.8
55.01889	0.9
55.04079	0.8
56.78833	0.6
59.01395	0.7
61.98830	5.4
71.01363	1.1
73.02939	1.2
78.95922	1.2
96.96936	1.7
97.06597	1.7
99.00888	19.2
99.92593	46.1
100.92693	1.6
100.93368	5.1
115.92088	77.6
116.92086	2.5
116.92873	6.5
117.01942	1.7
125.09777	0.9
137.02393	0.7
161.02411	0.8
165.97267	6.6
222.13446	1.0
248.10735	0.9
261.14810	0.7
343.15259	2.2
384.97882	0.8
405.31970	0.9
421.30969	2.6
423.32712	8.9
453.33578	5.3
455.31601	1.2
469.33350	6.6
471.34610	5.2
485.32684	1.1
521.23907	1.4
533.23810	1.1
537.32269	1.4
539.24774	1.9
551.24951	9.8
551.33301	1.1
553.22552	1.3
554.22870	1.0
565.22382	2.1
569.25696	100.0
569.34808	23.6
570.26251	14.5
570.35107	2.2
583.23376	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	569.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07017	0.7
59.01377	1.0
61.98829	11.3
69.86494	0.7
78.95910	2.8
96.96964	3.3
97.06572	1.0
99.00908	1.7
99.92589	35.0
100.92620	1.0
100.93369	2.4
113.92687	1.0
115.92084	100.0
116.92097	2.9
116.92874	5.3
125.09779	0.9
132.92360	1.0
151.09218	0.8
152.99609	0.7
217.16002	2.3
299.16132	1.6
343.15201	1.5
407.33481	1.5
441.33853	1.0
453.33902	5.1
455.31348	1.2
464.55347	0.8
469.33240	7.5
470.33249	1.3
471.34479	5.9
537.32080	1.6
551.24805	3.7
551.32745	1.3
569.25836	90.1
569.34521	8.8
570.26166	11.6
583.23822	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06607	1.2
55.04048	1.0
59.01411	1.2
61.98832	9.3
70.31294	1.0
78.95924	6.4
86.35075	1.1
96.96961	8.2
97.93140	1.3
99.00887	9.8
99.92595	62.4
100.92597	1.8
100.93360	3.4
113.92642	4.1
115.92088	59.3
116.92126	2.0
116.92884	4.0
125.09718	1.4
131.92842	1.0
196.70508	1.1
360.30515	1.1
361.89178	1.0
469.33350	4.1
471.34818	40.7
472.35059	2.7
473.07330	1.1
521.23389	2.1
527.74023	1.2
539.24677	24.1
540.25293	4.9
541.25513	1.4
553.23004	6.4
554.22760	1.2
569.25928	100.0
569.34760	20.7
570.26001	12.0
570.34937	1.5
583.23914	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37063	0.8
55.04050	0.7
61.98814	2.2
69.49992	2.5
69.50396	1.1
72.80657	0.6
78.95952	1.0
81.03439	0.7
96.96032	1.1
98.21850	1.3
99.90359	0.7
99.92595	40.7
100.92645	1.3
100.93367	2.7
115.92090	56.5
116.92084	2.5
116.92867	15.6
137.46283	0.7
188.40813	0.8
469.33307	4.7
471.34094	1.6
514.02710	1.0
539.24677	2.5
540.25348	1.1
543.20148	1.0
551.24646	1.3
554.23541	0.9
569.25800	100.0
570.26123	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	569.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.9
59.01382	79.9
61.98833	7.1
63.49776	0.8
64.60609	0.8
69.34310	1.0
70.92691	0.8
71.01390	20.3
71.29647	1.4
72.99304	1.0
73.02951	9.1
83.01394	3.9
85.02953	6.1
87.00863	1.1
89.02451	14.3
93.03469	1.5
95.01401	2.6
96.35468	0.9
96.96850	1.0
99.00959	1.0
99.04543	2.6
101.02445	11.1
107.01421	1.7
111.00917	1.0
113.02457	8.6
119.03572	5.0
119.05034	14.5
120.99682	1.7
123.00924	4.6
123.04607	1.0
125.02453	8.7
135.04475	1.2
137.02493	3.3
137.06139	2.6
151.00443	1.7
153.01949	1.1
161.04610	2.2
163.04027	1.7
165.05569	2.0
165.12898	1.2
168.00569	1.1
169.01428	13.4
177.04079	3.4
179.03632	0.9
179.05658	2.2
179.07140	1.7
179.74773	0.9
181.05173	1.4
189.12886	1.5
191.10916	1.3
207.13956	3.5
209.11899	4.2
211.02594	1.2
225.15001	6.9
227.12900	36.7
233.11993	1.1
251.12794	1.1
269.13931	2.3
281.10370	9.4
287.15430	1.1
299.11481	3.9
336.30215	1.1
341.12683	2.2
347.18826	3.1
354.68066	1.0
551.25153	15.8
569.26196	100.0
570.26453	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03572	0.3
55.01868	0.6
58.76060	0.3
59.01384	5.4
66.64074	0.3
67.01882	1.1
68.99821	0.3
69.03454	0.5
69.17245	0.3
69.63930	1.8
71.01393	4.0
72.99323	0.6
73.02943	0.8
79.01889	1.2
80.19299	0.3
81.03501	0.4
83.01382	0.8
85.02954	2.0
87.00867	0.6
89.02449	1.2
95.01386	1.9
95.01965	0.3
97.02967	0.7
98.22509	0.5
101.02461	2.5
106.00592	0.4
107.01393	4.9
109.02988	0.7
110.00121	0.4
111.00877	2.6
113.02448	1.2
123.00894	15.1
124.01675	1.4
125.02460	20.2
127.00399	0.9
135.04512	0.5
136.98813	1.5
137.02435	0.6
139.00369	6.1
140.01164	3.4
141.01964	1.6
149.02486	0.6
151.00381	11.9
151.03987	0.5
153.01947	0.7
160.29504	0.4
164.04790	0.7
168.00658	4.0
169.01434	26.9
170.01784	0.9
179.18163	0.3
181.05061	1.1
191.80003	0.3
193.57587	0.3
209.04492	0.5
211.02477	3.1
255.06604	0.3
257.45050	0.3
271.04590	4.6
304.92419	0.3
313.05606	1.9
315.08688	0.5
437.23093	0.4
537.25629	0.4
537.34119	0.4
569.26025	100.0
570.26361	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	569.2612
Annotation	Salviadienol A
Peak:m/z	Relative Intensity
58.28056	0.9
59.01132	1.1
59.01387	12.6
61.98832	4.7
65.67634	0.8
67.01846	0.8
70.61492	1.0
70.61831	1.6
71.01385	4.3
73.02931	2.1
75.18307	1.0
79.87429	1.1
83.01372	1.1
85.02954	2.4
89.02451	2.3
96.96025	2.0
101.02455	2.9
107.01393	2.5
107.04518	0.8
108.19146	0.9
109.06541	0.8
111.00894	1.5
113.02437	1.5
123.00905	9.0
124.01654	1.1
125.02458	16.2
135.08127	1.0
137.02396	1.4
137.09723	5.4
139.00377	3.2
140.01170	2.5
141.01906	1.5
151.00381	7.3
151.04027	1.8
152.01016	0.8
153.01961	2.7
153.05518	1.0
155.10788	20.9
156.11072	1.1
163.04044	1.6
168.00682	2.5
168.04288	1.1
169.01437	19.1
173.20998	0.8
179.03531	1.0
181.08696	2.6
195.06740	2.0
199.09790	8.0
211.02467	3.6
217.98715	0.9
227.07187	1.8
241.10724	1.5
271.04526	3.3
313.05765	1.8
329.45291	1.0
387.16406	2.1
509.23746	1.6
512.22357	1.0
569.26001	100.0
570.26312	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	569.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31038	0.5
55.01887	0.6
57.03440	0.9
58.66331	0.6
59.01381	7.5
61.98825	1.1
65.00342	0.6
67.01896	0.8
69.03461	0.8
69.92110	1.7
70.66103	0.6
70.81786	0.6
71.01388	5.4
72.99305	1.1
73.02950	2.0
79.01907	1.2
83.01398	2.0
85.02972	1.8
87.00879	0.9
89.02441	1.2
95.01418	2.6
96.85382	0.6
97.02970	1.1
99.00880	1.3
99.04526	0.7
101.02453	3.9
107.01409	6.9
109.02956	0.6
111.00871	3.2
113.02452	2.0
119.03510	0.7
121.02953	0.6
122.03764	0.6
123.00010	1.2
123.00896	21.1
124.01652	2.2
125.02459	31.0
127.00378	1.5
127.97887	0.5
136.98825	1.9
137.02457	1.3
139.00391	8.8
140.01183	5.9
141.01913	2.6
149.02477	1.0
151.00377	14.3
151.04027	1.4
153.01942	1.5
155.03473	0.9
155.10805	1.3
163.04034	0.9
164.04781	0.7
165.01874	0.6
167.03505	0.6
168.00668	7.7
168.67490	0.5
169.01436	39.7
170.01787	1.1
177.04094	1.4
179.03490	1.0
181.01411	0.7
181.08684	4.0
199.09830	0.8
209.04590	0.6
211.02480	12.1
219.37173	0.6
227.06688	0.6
241.03397	0.9
243.12483	1.0
253.03531	1.0
271.04593	10.5
272.04773	0.7
313.05566	3.1
329.05179	0.6
331.06485	1.1
345.15863	1.1
345.20706	1.6
422.83444	0.5
485.16760	2.1
569.26447	100.0
570.26788	8.8
573.39734	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.8
59.01387	12.2
61.98827	8.4
62.38692	1.1
65.00301	1.8
67.01875	1.3
71.01392	7.4
74.82649	1.2
79.01898	1.6
83.01389	2.3
85.02945	3.4
89.02443	3.7
95.01369	1.9
101.02460	4.2
107.01412	5.1
109.02985	1.9
111.00895	1.6
113.02474	2.0
121.02937	1.3
122.17214	1.2
123.00916	13.4
125.02455	20.3
135.04558	3.9
136.98892	1.3
137.02460	3.5
139.00418	5.2
139.07671	3.0
140.01160	2.9
141.01973	2.2
148.85222	1.1
150.03171	1.4
151.00398	18.9
151.04005	2.3
152.23010	1.3
153.01944	2.0
161.02448	1.3
167.03563	1.2
167.07251	1.7
168.00642	4.3
169.01463	23.7
175.72267	1.2
179.03537	2.0
179.10805	5.0
183.10287	4.3
195.06668	2.4
197.04648	1.4
211.02510	6.9
223.09737	10.4
225.11417	4.2
243.06766	1.7
251.18556	1.5
271.04480	6.6
287.05722	4.5
313.05655	2.6
347.18771	3.0
371.24469	4.8
569.26080	100.0
570.26404	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	569.2609
Annotation	Hymenoratin B 2-O-[6'-O-acetyl-beta-D-glucopyranoside]
Peak:m/z	Relative Intensity
57.03447	1.7
58.00596	1.4
59.01384	90.5
59.96832	1.0
61.98826	4.5
71.01385	24.7
71.29180	1.7
73.02952	11.4
83.01406	1.8
85.02952	5.1
89.02456	16.0
93.03439	1.2
95.01395	3.4
99.04528	2.5
101.02464	12.0
106.51656	1.2
109.06590	2.1
113.02469	10.2
116.62425	1.0
119.03534	4.5
119.05037	15.3
123.00905	2.9
125.02468	9.9
137.02454	2.6
137.06113	1.6
149.02458	1.2
153.09265	1.1
161.04558	1.4
163.04152	1.6
164.04774	1.3
165.05655	1.7
168.00552	1.8
169.01443	9.0
169.42937	1.2
177.04065	1.5
179.05670	1.5
179.07065	1.3
182.08743	1.2
189.12946	2.2
207.13954	2.8
209.11897	5.8
225.14993	7.8
227.12891	42.6
228.13174	2.4
251.12904	1.1
269.13989	2.6
281.10327	9.7
282.10934	1.1
299.11444	3.7
318.59537	1.1
341.12842	2.1
347.18549	1.8
428.29700	1.2
551.25201	15.0
569.26166	100.0
570.26306	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	569.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59816	0.3
59.01402	1.6
71.01387	1.4
73.02949	0.6
74.25643	0.4
75.00854	0.4
76.40594	0.3
83.01390	0.5
89.02441	1.1
95.01402	0.3
99.92594	9.1
100.92666	0.3
101.02454	0.9
111.00920	0.6
113.02459	0.7
114.15604	0.3
116.92874	100.0
117.01969	0.7
117.92883	3.3
119.03506	0.4
121.02928	0.3
122.03744	0.3
123.00923	0.4
123.04537	0.5
125.02476	1.3
137.02451	0.8
149.02435	1.4
150.03241	3.9
151.03880	0.3
152.01187	0.3
153.05501	0.3
164.04700	0.4
165.05565	3.5
165.29291	0.3
167.03545	0.5
169.01440	0.8
179.03554	0.4
180.04424	0.3
195.06633	2.1
197.04572	1.4
211.09813	0.3
216.64680	0.3
340.01047	0.3
359.14874	0.4
373.15097	0.8
521.20380	4.3
569.08417	0.5
569.24597	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59873	0.8
52.18647	0.8
57.03449	1.2
71.67418	0.8
85.06596	6.1
87.04535	1.8
95.05028	2.7
98.21790	1.6
104.05796	0.9
106.83514	0.9
107.05027	1.0
109.06631	4.2
111.04532	9.8
113.09734	10.0
123.08148	2.7
125.06107	1.5
135.08144	2.5
137.06215	1.2
139.04036	7.0
147.08142	1.3
149.06143	1.1
149.09627	1.0
151.03984	1.2
151.07645	1.0
153.05602	1.2
163.11337	1.1
165.01935	1.0
165.09230	16.2
166.02718	2.6
170.23172	0.8
177.09224	7.9
179.03424	1.5
179.07120	1.4
180.04292	10.0
181.08720	43.9
182.09096	1.2
191.07086	2.0
193.08682	1.5
195.06642	2.3
207.06587	3.5
208.07411	8.7
209.08203	54.3
210.08508	2.8
219.06599	3.2
219.13976	1.6
221.08279	1.9
245.15494	3.6
247.09773	2.1
248.06871	3.5
263.12891	7.1
273.18726	0.9
289.14508	10.0
290.14636	1.3
293.21252	1.0
299.20151	1.3
315.16071	1.0
331.19180	1.6
333.13406	100.0
333.17130	24.1
334.13840	6.0
334.17313	1.6
338.24445	0.8
343.19205	1.4
350.43143	0.9
359.18719	1.1
387.18002	17.9
399.17911	1.0
498.70734	0.9
569.27612	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28167	1.6
52.64706	1.6
57.03434	2.8
58.14407	1.6
64.81171	1.7
69.22154	11.2
79.01884	4.7
85.06593	8.4
87.73655	1.8
95.05020	2.3
109.02943	2.2
109.06589	7.6
111.04520	28.5
113.09732	3.6
119.06221	1.7
123.08133	2.4
125.02402	1.9
125.09727	2.5
134.01874	1.8
137.02441	4.4
138.03201	2.8
139.03990	3.3
147.08214	3.3
151.00423	2.7
151.07605	5.7
165.09250	11.4
166.06380	3.7
177.12868	2.6
179.10811	6.7
181.08723	27.0
191.07172	4.3
193.01540	2.3
194.05867	5.1
195.06606	11.9
198.05357	3.7
207.06613	32.6
208.07315	4.7
209.08199	29.3
219.06621	6.5
220.03642	5.4
221.11804	5.0
222.05348	3.4
235.06136	48.0
236.06557	5.0
237.07675	5.0
247.06088	6.4
248.06857	3.9
253.07161	27.6
263.12839	9.0
265.07150	5.2
275.09146	2.9
291.05161	5.1
292.05743	1.8
299.09229	4.3
301.07062	2.2
315.08755	1.8
331.19315	2.1
333.13397	15.9
333.17065	100.0
334.17529	6.6
343.08212	22.9
344.08780	1.9
359.18689	17.2
360.26614	1.9
370.13806	1.9
387.17783	1.7
387.21945	12.0
399.10672	4.2
414.13120	8.8
551.26532	25.3
552.27252	2.6
569.31842	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	569.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.9
57.94183	0.7
69.18029	5.5
81.03458	1.7
83.01382	2.1
83.05043	1.0
85.02975	0.7
95.05050	1.5
105.79483	0.7
109.06580	2.0
111.04515	1.3
113.09724	8.1
137.02400	1.0
137.06078	2.0
138.03250	1.4
139.04059	1.4
151.04008	1.8
151.13760	0.7
152.04761	2.0
153.05586	1.0
165.01920	1.2
165.09172	2.3
166.02916	0.7
166.06345	0.8
177.05614	1.1
179.03511	12.0
180.04292	72.8
181.04991	4.4
181.08720	44.5
182.09038	2.1
194.05864	0.8
195.06644	4.5
207.06660	1.5
209.08197	8.9
219.06616	18.0
219.92900	0.7
221.08240	2.2
231.06500	0.7
233.08253	1.5
234.08981	3.1
246.08768	1.1
247.06116	1.2
247.09749	1.3
248.06915	3.5
249.07620	1.0
263.08768	0.9
289.15018	0.7
289.18274	2.3
291.15948	1.4
315.15903	3.7
321.17041	2.5
331.19339	1.5
333.13669	4.9
333.17090	100.0
334.17432	7.3
359.18527	1.4
363.43936	1.0
387.21844	14.0
388.22134	1.4
569.26917	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	569.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01488	0.7
61.98636	2.3
61.99007	2.8
66.04151	0.7
68.98867	1.6
68.99285	3.3
72.37845	0.5
75.91802	0.6
80.91477	1.7
80.91965	1.5
96.95827	0.7
99.00607	0.6
102.40426	0.6
115.91871	1.1
116.92644	0.9
171.91586	0.7
225.13882	0.6
237.55026	0.6
279.17654	0.6
372.44705	0.7
409.31070	1.6
433.66504	0.6
487.34320	100.0
488.34772	9.9
569.34729	58.0
569.44147	1.4
570.34991	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	569.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89286	0.6
55.01872	2.2
56.81464	0.7
57.03422	1.1
59.01374	1.0
61.98817	3.1
69.67470	0.9
71.01382	2.2
71.28430	1.2
73.02937	1.9
78.95904	4.3
83.01379	1.0
85.02980	0.7
96.95999	1.0
96.96974	3.9
99.00889	81.5
99.92616	1.4
100.01223	1.5
111.04546	3.5
113.09724	1.0
113.92603	0.9
115.92062	2.6
117.01955	3.0
123.08170	0.9
125.02422	0.7
125.09720	1.4
148.77118	0.7
153.02039	0.9
165.09117	1.3
179.07135	1.2
181.08714	7.2
183.06514	1.2
195.06584	2.7
209.08182	5.5
225.07736	1.3
245.08208	1.1
247.09723	1.1
250.08467	1.0
275.09039	0.8
289.14597	0.7
305.13885	3.6
315.12445	0.8
333.13327	6.0
334.13531	0.8
359.11224	1.7
397.13086	0.8
407.33286	1.1
451.32196	2.1
453.33685	5.6
467.32043	0.9
469.33246	100.0
470.33670	10.6
471.34775	12.8
569.26135	4.2
569.34863	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	570.147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	15.9
59.42308	1.8
61.98833	59.3
71.01385	7.0
71.29910	2.8
78.94214	2.4
82.95429	2.0
83.01395	2.8
87.00882	1.7
89.02451	5.1
93.03466	4.9
93.96551	1.8
95.01414	2.5
96.11504	1.8
101.02480	3.9
107.01406	6.0
111.00913	4.7
112.66695	1.8
113.02467	2.4
119.77120	2.3
123.00899	5.1
124.01666	2.3
125.02467	40.9
131.51013	1.8
135.04552	3.3
136.98839	1.9
137.02499	12.9
139.00423	2.8
140.01216	3.7
142.74557	2.1
151.00392	6.0
153.02019	2.6
161.04607	1.9
163.04030	8.6
164.04790	3.9
165.05568	1.6
167.03494	2.2
168.00652	5.4
168.33292	1.7
169.01431	49.8
178.06380	6.8
179.07097	2.8
182.55403	2.0
211.02544	3.0
243.06660	3.0
244.07002	2.4
313.05624	12.6
327.07391	2.3
349.20425	4.6
372.24841	2.5
373.26157	3.6
507.15076	100.0
508.15714	9.4
568.95068	2.5
570.25775	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	570.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23022	0.5
57.02968	0.5
59.01374	2.5
60.23260	0.6
60.81304	0.5
61.98832	100.0
69.32485	2.0
69.32887	1.1
71.01392	1.7
74.71596	0.6
81.05270	0.5
85.02969	0.8
85.58131	0.5
94.83131	0.5
98.21857	0.7
98.42045	0.5
101.02461	1.6
106.92754	0.5
107.01379	1.3
111.00877	1.0
113.02460	1.2
123.00878	2.6
123.04507	0.7
124.01652	1.8
125.02475	5.3
126.02787	1.5
137.02425	1.9
139.00369	0.8
139.04018	1.2
143.56522	0.5
151.00397	0.9
152.00603	0.5
155.10732	0.6
165.11267	0.6
168.00655	1.5
169.01428	7.4
170.01744	2.3
181.05125	0.7
183.03033	0.6
211.02402	1.0
212.02809	0.8
227.13206	0.5
271.04562	0.7
285.16965	1.3
286.17395	1.2
314.05890	0.6
355.24869	0.6
373.26007	2.5
383.03955	0.5
401.75546	0.6
478.77289	0.5
570.22607	20.6
571.14691	1.2
571.23682	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	570.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	1.8
61.98837	100.0
62.10415	0.3
64.37224	0.3
70.05414	0.3
71.01380	1.0
71.29114	0.6
73.02949	0.4
75.96902	0.3
83.01369	0.3
85.02959	0.4
89.02473	0.3
93.03458	0.3
97.23995	0.3
101.02480	0.6
103.67073	0.3
121.02980	0.3
123.00929	0.8
124.01764	0.5
125.02473	1.2
126.02812	0.4
137.02470	0.7
139.04062	0.6
145.54858	0.3
151.04044	0.4
155.10779	0.6
163.07678	0.3
165.02019	0.5
168.00677	0.4
169.01440	1.4
170.01802	0.4
179.03604	0.5
183.10397	0.4
192.84566	0.3
199.09814	0.3
209.08324	0.5
212.88116	0.3
225.48317	0.3
373.26221	1.2
373.39368	0.3
414.53363	0.3
434.37265	0.4
570.22540	3.4
571.24915	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3052
Annotation	14-O-Anisoylneoline
Peak:m/z	Relative Intensity
60.35348	0.4
61.81239	0.4
61.98833	54.0
69.01379	2.3
69.01801	1.7
96.95998	0.4
101.54092	0.4
102.54282	0.4
116.07317	0.4
116.92815	0.4
117.86598	0.5
137.96140	0.6
227.10921	0.5
236.61565	0.5
421.31021	0.8
439.32303	3.3
441.27646	1.0
441.33762	21.5
442.34247	2.8
446.75800	0.5
485.32745	36.0
486.33084	7.2
487.33344	0.5
488.34509	0.9
510.32874	1.1
570.30475	100.0
571.30640	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	571.04
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.2
69.67902	0.3
71.27773	0.2
73.17492	0.2
81.28730	0.2
99.92590	11.0
100.92600	0.4
112.84708	0.3
115.92085	0.4
116.92869	100.0
117.92877	3.7
123.00858	0.4
124.01655	0.3
125.02474	1.1
139.00420	0.3
139.03999	0.3
161.02408	0.2
169.01465	0.8
173.37218	0.2
195.06683	0.4
222.65132	0.2
252.94466	0.7
300.99966	0.5
453.10480	1.0
483.10193	0.4
535.01929	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95853	0.6
59.01376	0.9
65.52573	0.4
71.01369	0.5
76.50783	0.5
83.29471	0.5
85.02947	0.7
86.17755	0.5
87.00881	100.0
88.01227	0.8
89.02461	0.5
101.02443	0.6
102.94408	9.1
111.00906	2.6
113.00063	0.6
116.37687	0.5
117.01911	0.6
118.96645	1.1
125.25942	0.5
127.63685	0.5
142.96597	2.5
142.97546	14.2
146.73701	0.6
156.38193	0.5
156.98114	0.6
160.97612	0.9
166.97528	9.6
168.95471	5.6
184.97710	4.0
186.96616	2.4
191.01979	1.8
202.98779	4.6
228.97562	84.7
229.97914	2.2
246.97791	1.9
288.98782	5.2
300.98941	0.6
341.10812	1.0
571.08466	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.0
69.06587	1.4
69.07009	2.9
71.01376	1.9
85.02952	1.3
87.00880	100.0
88.01214	1.1
89.02436	1.8
101.02435	1.2
102.94402	11.0
111.00905	2.6
113.02465	1.0
116.42951	0.5
118.96645	1.1
119.03491	0.9
124.96484	1.2
142.96579	2.3
142.97539	10.3
143.82558	0.5
156.98076	0.5
160.97661	1.6
166.97530	9.9
168.95450	4.6
179.05664	1.2
181.68219	0.5
184.97466	3.1
186.96532	2.5
191.01884	1.2
191.05640	2.9
193.02335	0.5
202.98772	3.0
228.97566	86.1
229.97833	2.0
246.97647	1.2
288.98819	3.3
289.02066	0.8
341.10928	3.9
376.37622	0.5
403.90176	0.5
571.08960	0.6
591.39502	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54666	2.6
54.96156	3.0
59.01394	3.0
69.06131	2.7
69.54790	14.5
87.00871	3.3
96.95989	4.3
98.22500	5.2
101.90498	2.7
108.02171	64.4
109.02966	13.3
113.95527	2.7
116.92871	5.1
119.17796	2.7
120.67094	3.0
125.02421	2.8
143.37114	3.0
152.01167	59.0
153.01958	27.9
157.72183	2.6
251.03595	3.0
273.20328	3.0
285.06186	100.0
286.06488	4.1
300.99908	4.1
509.35175	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	571.1464
Annotation	4'-Methoxy-3,3',5-trihydroxystilbene 3'-O-beta-D-(6''-O-galloyl)-glucopyranoside
Peak:m/z	Relative Intensity
52.49959	1.0
59.01376	4.3
61.98818	2.7
69.65347	2.2
69.65739	2.2
71.01382	3.2
79.95749	1.5
83.01427	1.3
84.70357	0.9
95.01401	1.9
96.96024	25.7
97.02941	1.2
101.02445	1.8
107.01403	11.5
109.02978	1.7
111.00876	2.6
123.00909	12.5
124.01672	3.0
125.02457	39.1
134.03723	1.1
136.98817	1.2
137.02469	3.7
139.00368	4.5
139.04021	7.8
140.01152	3.9
141.01880	1.7
150.03238	1.1
151.00406	5.3
151.04033	2.4
152.01137	1.2
153.01974	1.7
156.89520	0.9
159.04526	6.6
161.02499	1.4
165.01965	1.2
165.05566	1.8
166.06410	1.4
166.99835	1.5
167.03525	1.4
168.00638	8.4
169.01443	47.2
170.01857	1.5
172.05261	1.5
175.07655	1.2
179.07213	1.3
181.05099	1.2
183.03015	17.8
195.06664	1.7
199.04237	1.2
199.07675	1.3
201.05618	6.4
211.02509	1.4
225.05655	2.0
241.05095	15.1
242.05611	3.3
243.06622	53.1
244.06902	2.4
257.08194	17.2
312.04837	1.9
313.05698	16.9
315.79562	1.1
327.07236	26.6
328.07571	2.0
349.20313	1.2
439.46234	1.1
465.78842	1.4
541.20850	2.4
571.14545	100.0
572.14893	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	571.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97047	1.1
52.67202	1.1
54.94991	1.2
55.01876	1.3
58.00599	2.6
59.01094	2.0
59.01382	36.3
62.52116	1.0
65.43954	1.2
71.01390	34.6
71.29224	1.6
72.99311	2.6
73.02944	3.1
74.99091	2.0
75.30437	1.1
76.48523	1.2
83.01378	3.4
85.02952	8.1
87.00868	3.2
88.98835	1.1
89.02454	40.1
95.01389	3.8
96.96015	1.0
99.92582	2.3
101.02457	19.0
108.02100	1.2
109.02978	3.4
113.02470	11.9
116.92871	20.8
117.92896	1.4
119.03520	16.3
123.00886	2.3
123.08180	1.2
124.04415	1.2
125.02414	8.2
131.03471	2.5
134.03017	1.1
136.99106	1.7
137.02464	19.8
137.60165	1.2
143.03503	3.9
147.04538	1.8
149.04663	1.1
151.04022	1.3
161.04556	5.4
163.03874	1.2
164.01129	1.7
164.07170	1.4
165.01944	100.0
166.02306	2.1
167.07158	1.4
169.01396	5.8
179.03496	23.7
179.05609	18.1
180.04297	56.9
181.04825	1.1
185.08109	1.6
194.05846	5.1
195.06635	76.4
196.06921	2.9
206.08243	2.2
207.08536	2.4
210.05313	12.9
225.07693	57.6
226.08080	2.1
229.01454	1.4
300.99960	6.6
331.08218	3.3
345.09900	2.0
345.29099	1.2
346.10468	4.9
350.25806	1.2
361.12961	15.0
363.78616	1.3
463.84222	1.3
523.18304	50.8
524.18317	4.3
571.21051	13.0
588.35638	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.219
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	12.2
61.98826	5.7
65.28934	1.1
68.99814	1.5
69.06086	5.9
69.06499	4.6
70.29060	1.2
71.01384	4.3
79.02012	1.1
83.01382	1.8
87.04543	1.4
88.50655	1.3
89.02467	2.1
89.75825	1.2
93.03452	5.2
96.96012	14.9
98.21815	2.7
98.73926	1.5
101.02449	1.7
108.02216	3.9
109.02961	4.1
109.04688	1.2
113.02494	2.1
114.12234	1.2
121.02956	5.9
122.03750	13.8
123.00906	7.0
123.01695	1.4
123.04541	4.2
124.01664	5.7
125.02457	6.0
133.03032	2.0
135.04559	3.7
136.01666	3.0
137.02454	6.6
138.03256	6.8
139.00400	1.3
139.04007	5.3
139.99286	1.5
149.02460	22.8
150.03238	84.2
151.03876	4.6
153.05606	3.8
154.99861	2.5
161.02498	2.1
163.04062	2.7
164.04825	4.9
165.05583	100.0
166.02765	2.2
166.06169	3.8
167.03534	2.8
167.07088	2.3
169.01422	2.4
170.02231	2.7
172.67323	1.3
177.05560	2.4
178.02718	4.8
179.03540	3.1
179.07167	1.7
179.88290	1.8
180.04272	5.9
180.07970	1.5
181.05165	2.0
181.08745	2.0
193.05042	7.1
194.05957	1.7
195.06644	65.5
195.82043	1.6
196.06990	1.7
207.10306	1.8
212.04817	2.2
221.08246	3.4
227.12907	3.4
228.04216	1.8
247.27545	1.4
256.03787	3.8
271.09744	2.3
287.09091	1.7
297.07672	3.6
311.09274	5.5
312.09952	2.3
313.10751	1.8
314.11642	1.7
315.08771	2.8
326.11655	2.7
327.08694	7.2
329.10184	1.5
329.13940	1.9
330.11096	8.1
345.13455	41.5
346.13745	1.7
349.20230	4.6
357.13486	16.3
375.14517	8.3
387.16580	9.0
389.12411	2.9
523.19348	3.0
541.21173	2.5
571.14404	3.6
571.21228	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	571.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.7
61.98837	2.2
71.01363	0.3
71.29534	0.3
73.35349	0.3
76.35936	0.3
87.04546	0.3
92.95304	0.3
93.03483	0.5
93.61082	0.3
96.96006	0.5
104.28113	0.3
109.02991	0.8
121.02957	0.9
123.00861	0.5
123.04555	0.6
124.01640	0.4
125.02402	0.7
133.02945	0.7
135.04524	1.0
137.02425	0.9
143.05061	0.8
147.04529	0.4
157.06609	1.0
159.04526	9.9
161.02478	0.8
167.03528	0.9
169.01488	0.5
171.08217	0.5
172.05328	0.4
173.06145	2.5
175.07666	3.4
179.03468	0.4
181.06577	0.8
183.04559	0.9
183.06628	0.4
185.06058	0.6
197.06088	0.7
199.03970	0.5
199.07640	2.2
200.04712	0.5
201.05573	9.6
202.05977	0.4
213.05565	0.4
215.07298	0.5
225.05586	3.3
241.05067	0.6
243.06622	100.0
244.06953	4.4
248.60127	0.3
269.88800	0.4
273.07681	0.8
274.08804	0.3
361.16608	1.1
395.61029	0.4
509.24289	0.4
571.25635	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.219
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	12.2
61.98826	5.7
65.28934	1.1
68.99814	1.5
69.06086	5.9
69.06499	4.6
70.29060	1.2
71.01384	4.3
79.02012	1.1
83.01382	1.8
87.04543	1.4
88.50655	1.3
89.02467	2.1
89.75825	1.2
93.03452	5.2
96.96012	14.9
98.21815	2.7
98.73926	1.5
101.02449	1.7
108.02216	3.9
109.02961	4.1
109.04688	1.2
113.02494	2.1
114.12234	1.2
121.02956	5.9
122.03750	13.8
123.00906	7.0
123.01695	1.4
123.04541	4.2
124.01664	5.7
125.02457	6.0
133.03032	2.0
135.04559	3.7
136.01666	3.0
137.02454	6.6
138.03256	6.8
139.00400	1.3
139.04007	5.3
139.99286	1.5
149.02460	22.8
150.03238	84.2
151.03876	4.6
153.05606	3.8
154.99861	2.5
161.02498	2.1
163.04062	2.7
164.04825	4.9
165.05583	100.0
166.02765	2.2
166.06169	3.8
167.03534	2.8
167.07088	2.3
169.01422	2.4
170.02231	2.7
172.67323	1.3
177.05560	2.4
178.02718	4.8
179.03540	3.1
179.07167	1.7
179.88290	1.8
180.04272	5.9
180.07970	1.5
181.05165	2.0
181.08745	2.0
193.05042	7.1
194.05957	1.7
195.06644	65.5
195.82043	1.6
196.06990	1.7
207.10306	1.8
212.04817	2.2
221.08246	3.4
227.12907	3.4
228.04216	1.8
247.27545	1.4
256.03787	3.8
271.09744	2.3
287.09091	1.7
297.07672	3.6
311.09274	5.5
312.09952	2.3
313.10751	1.8
314.11642	1.7
315.08771	2.8
326.11655	2.7
327.08694	7.2
329.10184	1.5
329.13940	1.9
330.11096	8.1
345.13455	41.5
346.13745	1.7
349.20230	4.6
357.13486	16.3
375.14517	8.3
387.16580	9.0
389.12411	2.9
523.19348	3.0
541.21173	2.5
571.14404	3.6
571.21228	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	571.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	6.2
69.04880	4.9
69.05308	5.7
78.91877	1.3
93.80088	1.0
99.00878	1.2
99.92594	34.0
100.92624	1.1
100.93359	3.2
115.92084	57.2
116.92869	8.0
122.96600	1.0
125.09731	2.6
128.89574	1.0
140.16577	1.0
146.80508	1.1
167.95169	1.3
174.50378	1.0
187.09726	2.5
252.12856	1.1
327.21765	1.3
455.18652	1.5
471.31110	3.4
487.17725	4.4
487.34564	1.4
511.21289	3.2
523.21429	2.2
527.32666	1.9
543.20422	1.9
553.22852	7.0
554.22174	2.1
571.23566	100.0
572.23962	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	571.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22016	0.4
55.37022	0.5
55.95686	0.5
59.01094	0.5
59.01382	6.8
61.98825	1.5
67.01877	0.9
68.99833	0.6
69.03450	0.6
71.01392	4.9
71.05058	0.5
71.28886	0.6
72.99338	0.8
73.02942	0.9
73.41904	0.5
78.24858	0.4
79.01893	1.6
82.76160	0.5
83.01385	0.8
85.02954	1.7
89.02455	2.0
93.03497	0.5
95.01391	2.0
96.96014	0.7
97.02942	0.7
99.00957	0.5
101.02460	2.5
107.01398	7.3
109.02932	1.0
111.00886	2.1
113.02455	1.9
119.03449	0.8
123.00896	12.3
124.01659	1.5
125.02459	25.7
127.00405	0.8
136.98805	1.1
137.02466	1.3
139.00400	5.3
139.04024	0.8
140.01149	3.4
141.01932	1.4
151.00383	10.0
153.01942	0.8
157.12321	1.4
160.04044	1.4
168.00662	3.9
169.01439	42.4
170.01750	0.7
179.03441	1.1
195.06532	0.5
211.02440	2.4
271.04596	1.0
287.18637	4.3
289.07291	0.7
313.05588	2.6
373.26053	0.7
385.11298	0.7
571.23999	100.0
572.24396	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	571.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.6
61.98829	1.5
65.25004	0.4
67.01890	0.4
71.01380	3.9
72.99300	0.7
73.02943	1.0
79.01900	1.1
83.01381	0.9
83.05081	0.4
85.02954	2.0
87.00861	0.5
89.02458	2.1
92.57710	0.5
93.03442	0.8
95.01384	1.6
98.22528	1.1
101.02438	2.2
107.01387	3.7
109.02943	0.8
111.00868	1.6
113.02432	1.4
113.06123	0.5
119.03547	0.4
123.00011	0.6
123.00900	9.7
123.04591	0.7
124.01704	1.6
125.02455	18.6
127.00400	0.7
136.98833	1.0
137.02475	3.2
138.03180	1.0
139.00386	4.4
139.03987	0.8
140.01160	1.9
141.01929	1.3
151.00368	8.9
152.00800	0.4
153.01892	0.8
153.05563	1.3
157.12250	0.4
161.55185	0.5
165.01993	0.6
165.05519	0.6
167.03488	1.2
168.00652	7.0
168.04294	1.5
169.01436	26.2
170.01772	0.8
176.27237	0.4
179.03452	0.6
183.06618	2.7
183.10300	0.5
209.04463	0.6
211.02486	12.3
216.78787	0.4
236.87816	0.4
241.03487	0.6
243.12483	0.7
253.03296	0.5
271.01724	0.7
271.04605	11.9
289.07355	0.4
299.44522	0.4
313.05640	3.2
373.25958	0.8
385.11310	3.3
420.64279	0.4
474.27905	0.5
485.16333	0.6
507.24374	0.4
527.10455	0.4
553.23022	4.7
571.23926	100.0
572.24213	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	571.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22016	0.4
55.37022	0.5
55.95686	0.5
59.01094	0.5
59.01382	6.8
61.98825	1.5
67.01877	0.9
68.99833	0.6
69.03450	0.6
71.01392	4.9
71.05058	0.5
71.28886	0.6
72.99338	0.8
73.02942	0.9
73.41904	0.5
78.24858	0.4
79.01893	1.6
82.76160	0.5
83.01385	0.8
85.02954	1.7
89.02455	2.0
93.03497	0.5
95.01391	2.0
96.96014	0.7
97.02942	0.7
99.00957	0.5
101.02460	2.5
107.01398	7.3
109.02932	1.0
111.00886	2.1
113.02455	1.9
119.03449	0.8
123.00896	12.3
124.01659	1.5
125.02459	25.7
127.00405	0.8
136.98805	1.1
137.02466	1.3
139.00400	5.3
139.04024	0.8
140.01149	3.4
141.01932	1.4
151.00383	10.0
153.01942	0.8
157.12321	1.4
160.04044	1.4
168.00662	3.9
169.01439	42.4
170.01750	0.7
179.03441	1.1
195.06532	0.5
211.02440	2.4
271.04596	1.0
287.18637	4.3
289.07291	0.7
313.05588	2.6
373.26053	0.7
385.11298	0.7
571.23999	100.0
572.24396	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	571.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59137	0.6
58.00589	0.6
59.01395	6.7
61.98823	1.9
62.83350	0.8
67.01900	0.9
69.28485	2.2
69.28902	2.7
71.01387	5.6
72.99347	1.0
73.02949	1.6
78.91896	2.1
79.01898	1.2
83.01382	1.0
84.19759	0.7
85.02963	0.8
87.00879	1.0
89.02448	1.6
95.01391	1.3
97.02973	0.7
98.22484	1.6
101.02444	3.0
107.01397	3.6
109.02937	0.9
111.00868	2.4
113.02475	3.1
123.00896	9.4
125.02469	21.4
127.00400	0.8
136.98849	0.8
137.02510	1.3
139.00385	4.4
140.01152	2.3
141.01952	1.6
151.00374	7.8
153.01962	2.4
155.01759	0.9
163.03975	0.8
164.04784	0.9
165.05577	0.8
168.00662	6.4
169.01437	29.4
179.03358	0.8
183.02988	0.8
183.06590	1.2
195.06604	0.8
211.02512	13.1
225.11308	1.1
234.60617	0.7
271.04620	10.9
309.97040	0.7
313.05716	2.9
359.88293	0.8
373.25867	2.3
385.11523	3.4
386.11505	0.7
485.16998	0.9
553.22968	5.0
571.23975	100.0
572.24408	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	571.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99244	1.0
51.32446	1.1
57.03443	2.2
59.01381	43.5
61.98839	7.5
69.04210	10.4
71.01392	7.4
72.99315	1.2
73.02937	5.5
83.01381	5.5
85.02956	5.0
89.02435	3.2
93.03487	1.6
95.01371	2.4
99.04513	1.3
101.02451	6.0
107.01391	3.8
108.02189	1.4
111.00879	1.4
113.02436	3.4
113.06167	1.3
121.02953	1.8
122.03803	2.7
123.00903	22.6
123.04491	3.2
123.94155	1.1
124.01678	43.1
125.02480	20.1
129.35458	1.1
136.98782	1.5
137.02422	3.5
138.03236	5.9
139.00336	3.3
139.04027	34.0
139.11285	1.7
140.01147	2.5
149.02422	1.7
150.03252	8.7
151.00412	5.7
153.01953	4.3
157.12358	1.8
161.04614	1.5
165.01906	2.4
165.05594	9.3
167.10762	1.4
168.00626	8.2
168.04280	4.4
169.01442	18.4
169.05005	1.1
179.03549	1.5
183.02992	3.2
183.06609	10.2
183.10228	3.3
195.06587	5.8
202.93773	1.2
207.13771	1.4
209.04628	1.1
209.11748	3.1
211.02504	7.7
225.11421	2.3
225.14920	5.5
227.12914	27.7
243.12386	3.1
259.63440	1.1
269.13818	2.5
271.04599	8.1
283.08243	5.3
287.15042	1.8
295.21457	1.2
313.05551	2.6
330.11240	1.2
337.57907	1.1
345.13394	3.2
357.13666	1.4
385.11542	1.8
387.16675	2.7
396.10828	3.1
553.22968	7.4
571.23962	100.0
572.14453	2.2
572.24255	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	571.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01096	3.3
59.01387	61.5
61.98836	14.8
69.03462	3.6
69.39590	9.2
69.40019	10.3
71.01377	7.2
73.02938	8.3
73.87988	2.6
78.01946	2.8
83.01387	10.2
85.02950	4.5
91.31772	2.9
96.96008	15.3
101.02460	6.1
107.01379	5.6
123.00887	6.8
125.02451	24.9
137.02518	5.0
137.99577	4.4
139.00418	5.1
139.11322	9.0
149.02434	6.8
151.00368	6.8
152.01169	5.6
153.01955	80.3
163.11290	4.8
165.05490	5.4
165.09201	8.5
168.04288	75.1
169.01436	22.9
181.12337	10.5
183.06653	32.0
183.10275	18.6
196.07367	3.1
225.11295	14.1
243.06647	11.2
243.12350	10.8
267.12570	4.1
313.05627	7.8
329.23291	4.3
387.16772	4.4
553.23016	4.9
571.14569	39.9
571.24139	100.0
572.24493	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	571.255
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	2.5
62.14924	0.5
69.26110	3.8
69.46662	0.6
72.42875	0.5
76.72990	0.5
96.96020	0.8
98.22514	1.1
121.02964	13.5
121.03781	1.0
135.04553	1.2
135.55537	0.5
137.10110	0.6
141.56042	0.6
166.06361	90.2
167.06775	3.7
179.03474	1.6
181.08714	100.0
182.09108	3.3
182.10466	0.7
183.14496	0.6
194.05872	2.3
196.65030	0.7
199.20071	0.7
209.08185	8.9
229.04382	0.7
243.06485	0.6
334.54660	0.6
373.16699	0.9
391.17670	14.3
391.22458	0.6
392.18457	0.8
571.26099	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53959	2.3
55.01880	2.5
59.01382	39.8
71.01388	57.2
71.05917	4.8
72.99284	4.8
73.02942	11.8
76.26202	2.8
77.74876	2.5
83.01393	7.2
85.02958	20.8
87.00869	5.4
88.98852	3.2
89.02440	28.2
95.01375	7.4
96.96009	5.0
97.02930	2.8
99.00880	4.1
99.03356	3.2
100.99696	2.5
101.02455	36.6
102.98604	3.7
113.02467	20.4
116.92859	7.0
119.03516	8.4
125.02435	6.8
135.04517	2.5
141.82828	2.8
149.02408	7.7
150.03239	13.2
151.03947	3.9
159.03029	4.3
161.02516	5.1
161.04582	15.0
162.03227	4.9
164.04832	5.0
165.05571	16.6
179.05576	7.5
195.06664	13.3
248.34808	2.8
274.28412	3.1
284.02966	3.0
349.18622	31.8
361.13089	4.6
393.17868	3.5
470.98138	2.7
478.06985	3.0
488.25476	2.7
491.40182	2.9
511.23978	100.0
512.24420	11.5
523.18335	15.6
571.20148	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	571.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10115	0.6
59.01360	0.5
61.98837	3.7
69.03416	0.4
71.01404	0.4
78.95920	0.5
86.05524	0.4
96.96968	0.4
99.00890	1.1
99.92595	18.6
100.92719	0.5
100.93369	4.7
101.02403	0.4
111.08184	0.6
115.92087	100.0
116.92088	3.3
116.92882	6.9
117.92857	0.4
125.09717	0.6
132.92355	0.8
172.87552	0.4
187.09729	0.5
200.92004	0.4
313.37369	0.4
349.96686	0.4
383.85864	0.5
414.26947	0.4
471.34976	3.3
473.35544	1.6
541.26245	1.2
553.26581	0.8
555.24243	1.0
556.24652	0.5
571.27325	64.4
572.27661	9.1
585.25348	4.9
586.25854	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.1
60.45482	0.6
61.98833	5.2
71.01389	0.8
78.95910	0.9
88.38647	0.6
96.96943	0.9
99.00879	3.0
99.92593	73.9
100.92605	2.3
100.93382	3.0
115.92084	67.8
116.92108	2.1
116.92871	16.3
125.09721	1.8
132.92311	1.0
229.21938	0.8
471.35034	4.2
490.51239	0.8
499.32645	1.3
509.27496	0.7
520.82544	0.7
523.24756	1.0
541.26282	1.3
553.26385	7.4
554.26251	0.9
556.25189	2.1
571.27368	100.0
571.34991	4.2
572.27509	13.8
585.25317	11.4
586.25793	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00014	0.8
59.01375	0.8
61.98833	15.2
63.83194	0.7
69.03470	0.8
69.08484	7.1
71.01409	0.9
73.13345	0.8
78.95920	0.9
99.00893	1.8
99.92590	21.2
100.92640	0.8
100.93378	3.0
102.67912	0.8
115.92085	100.0
116.92113	2.7
116.92870	8.0
125.09737	1.1
128.02708	1.0
132.92288	1.3
185.11896	0.8
248.04146	0.9
287.43982	0.9
313.45105	0.8
423.32596	1.1
443.35150	1.2
450.34372	0.8
452.32538	0.8
453.33749	1.6
471.34900	7.9
472.35715	1.0
473.35388	2.2
487.34387	3.5
489.35352	1.7
546.89301	1.0
571.27301	75.0
571.35272	5.1
572.27960	8.9
585.24988	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	571.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08986	1.0
56.92327	1.1
59.01373	1.2
61.98848	8.8
64.06977	1.1
69.03471	1.1
69.19973	1.1
83.01414	1.2
83.05058	1.7
90.96270	1.3
96.97003	1.9
97.06577	1.4
99.00920	4.2
99.92596	44.9
100.92679	1.4
100.93341	2.5
115.92091	70.1
116.92102	2.1
116.92854	13.3
122.97590	1.3
123.08202	1.6
125.09756	2.9
151.56909	1.2
153.91692	1.2
165.09351	1.2
165.10779	1.0
165.97282	5.9
187.09789	2.1
220.60498	1.1
417.29065	1.2
423.32733	3.4
459.34097	1.8
471.34921	7.7
473.35638	1.8
487.34137	2.6
530.86700	1.2
536.72900	1.3
553.26514	9.1
554.27173	1.3
567.24628	1.4
571.27350	100.0
571.34924	4.9
572.27515	14.4
585.25208	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43151	0.4
58.07255	0.4
61.98834	6.1
68.45617	0.4
69.06658	2.9
75.78837	0.3
78.95903	1.3
80.91682	0.4
88.83170	0.3
96.96970	0.7
97.06592	0.4
99.00898	3.7
99.92590	15.3
100.04320	0.4
100.93369	3.5
107.84434	0.4
115.92085	100.0
116.92081	3.1
116.92878	7.0
126.27968	0.4
132.92378	1.0
145.02994	0.4
150.93887	0.4
152.99602	1.4
161.02383	0.7
255.23303	0.6
275.86484	0.4
335.17505	1.1
441.33850	0.7
471.34805	7.1
472.35394	1.2
473.35550	2.0
557.26184	0.4
571.27350	73.4
572.27740	8.6
585.25232	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	571.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90000	0.9
57.03465	1.3
59.01368	1.1
61.98835	10.5
69.08794	3.3
69.09217	4.0
78.95917	7.2
83.05045	2.4
92.62398	1.0
95.05005	1.4
96.96960	1.7
97.06618	4.4
99.00899	1.1
99.92590	22.5
100.93361	3.5
109.06562	1.0
111.08154	7.2
115.92087	100.0
116.92078	4.5
116.92888	5.6
123.08199	2.0
125.09736	22.1
132.92375	0.9
145.08716	1.3
152.99615	6.4
161.02467	0.8
169.08812	1.0
171.00673	0.8
173.08217	2.3
187.09795	9.0
197.75630	0.8
241.01218	1.8
255.23358	2.7
269.21143	1.9
276.45636	0.9
287.22293	9.6
419.15878	0.9
439.30923	1.7
457.31873	6.3
471.34885	6.3
472.35062	1.6
473.35526	4.3
553.26617	1.2
553.36676	1.0
571.27399	68.0
571.37903	35.4
572.27924	7.3
572.38605	2.3
585.24829	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	571.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71023	2.1
59.01372	8.3
61.98822	5.7
68.64780	1.7
71.28157	2.6
92.92813	3.3
99.00824	2.2
99.92600	92.1
106.05412	1.9
115.92091	43.8
116.92875	61.2
117.03484	7.2
133.02983	5.7
145.02980	18.4
161.02444	8.2
171.94675	4.6
222.60567	2.2
248.64638	2.1
260.56662	2.2
279.35266	1.8
405.31503	3.6
427.35754	2.3
446.43674	2.0
465.33707	8.2
467.11475	2.2
467.33966	1.9
511.34546	3.9
513.35980	9.1
527.28131	12.5
553.26172	3.2
571.27631	100.0
571.37720	62.9
572.27869	14.7
572.38141	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	571.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21032	4.3
57.03448	6.8
59.01386	100.0
61.98832	66.2
69.09961	27.5
71.01390	44.1
82.95398	4.5
83.01402	5.1
85.02974	7.6
85.81802	4.1
88.46906	4.1
89.02444	50.8
93.03468	6.9
98.21754	7.0
101.02451	27.7
103.74990	3.7
107.01434	5.5
107.25468	4.1
108.02230	4.7
109.02953	13.2
113.02467	19.3
119.03535	23.6
123.00904	9.8
123.04496	6.0
125.02441	43.4
126.02843	5.0
129.85703	4.7
134.89442	4.4
136.98878	5.0
137.02463	24.6
138.77870	4.0
139.00313	6.4
143.03499	8.4
150.03151	4.8
151.00412	5.0
151.04012	5.9
151.11432	4.1
152.01071	4.4
153.01958	12.1
160.04044	5.5
161.02498	4.6
161.04622	6.5
165.05643	7.4
167.03473	15.0
168.04277	7.4
169.01448	43.3
170.01758	12.8
179.05650	39.9
179.07037	5.9
181.05185	5.2
193.06516	3.9
195.06561	7.9
243.06613	18.7
269.19092	10.1
273.07550	6.9
287.20062	9.4
289.07413	5.0
297.06244	4.7
313.05411	4.9
314.06100	5.9
317.46130	4.8
349.20212	74.1
349.24118	7.3
361.16611	4.6
371.24359	8.0
373.25839	16.7
423.09241	6.8
508.15445	54.7
509.15005	5.4
535.32715	5.2
571.14557	12.7
571.24402	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	571.2893
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
56.99945	0.7
59.01379	1.1
69.12145	6.3
70.39854	0.8
78.95909	66.1
85.28857	0.9
96.95999	0.9
96.96970	14.4
116.92812	0.9
126.67630	0.7
133.02945	1.3
145.68823	0.8
152.99594	58.7
160.62737	0.8
161.02426	3.1
203.99776	0.8
219.72031	0.9
222.99945	1.7
241.01199	32.5
255.23308	77.2
256.23630	3.8
315.04919	8.6
391.22537	6.8
453.33398	1.1
455.35117	2.6
463.53271	0.9
495.34903	1.1
513.35370	1.4
571.28864	100.0
571.37335	6.7
572.29449	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	571.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04128	0.4
55.08216	0.5
57.03440	0.7
63.65304	0.5
77.55214	0.5
80.76845	0.5
83.05026	0.5
85.06583	0.6
98.22588	0.7
99.32213	0.6
107.05022	0.5
109.06584	2.3
111.04534	2.4
112.80658	0.5
113.09753	5.6
123.08199	0.9
137.02477	0.6
138.03252	2.0
163.07655	0.9
165.01935	2.6
165.03110	0.5
165.09218	2.0
166.02719	12.7
166.06319	0.8
179.07219	0.6
181.08720	27.5
182.09064	0.6
191.07129	0.8
193.04880	0.8
195.06723	0.8
207.06630	4.0
208.07420	32.5
209.07977	2.2
219.06554	2.6
221.08229	0.8
247.09749	11.0
261.11404	0.8
262.12231	0.9
265.10812	2.2
274.98447	0.6
291.16046	1.3
294.11560	0.6
316.13629	0.5
317.14072	0.8
335.15002	100.0
336.15259	5.1
389.19684	17.1
390.19971	1.7
481.30865	0.5
554.34857	0.6
571.29224	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
63.94252	0.5
66.72278	0.5
71.66386	0.4
81.63913	0.5
85.06558	0.5
94.19144	0.5
109.06616	1.7
111.04554	2.6
113.09737	4.7
123.08186	1.0
137.02437	0.6
138.03241	1.3
165.01953	1.9
165.09219	1.0
166.02753	6.6
181.08722	28.0
182.09053	0.7
207.06657	2.4
208.07413	23.4
209.08034	2.0
219.06577	0.9
221.08232	0.8
247.09775	5.9
261.11325	0.7
262.12131	0.8
265.10776	0.7
273.11377	0.5
291.15906	0.6
311.38840	0.5
317.13904	1.3
321.13345	1.4
321.16907	0.5
335.15009	100.0
336.15344	5.4
389.19693	14.5
390.20258	0.9
420.30722	0.5
467.79126	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3641
Annotation	Ganoderic acid W
Peak:m/z	Relative Intensity
57.78067	0.3
59.01381	7.7
63.75122	0.3
71.30030	0.4
78.95909	3.5
96.14400	0.3
96.96951	0.7
122.30666	0.3
127.00196	0.4
152.99590	3.4
161.02559	0.3
238.18977	0.3
241.01360	1.6
255.23315	4.8
315.04910	0.5
391.22336	0.3
409.31223	0.4
421.31085	0.6
511.34225	1.7
571.29297	4.9
571.36438	100.0
572.29315	0.5
572.36792	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	571.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27181	0.3
59.01382	12.8
59.10967	0.3
61.98834	0.3
63.83110	0.3
64.41506	0.3
64.85698	0.3
67.83731	0.3
67.89416	0.3
70.77612	0.3
71.30119	0.4
78.95911	3.6
96.96955	0.7
119.06129	0.3
152.99611	2.7
241.01173	1.2
255.23256	3.1
294.21768	0.3
409.31116	0.7
511.34381	4.2
512.35022	0.6
571.29321	4.6
571.36420	100.0
572.28149	0.6
572.36774	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	571.3642
Annotation	SNF 4794-12
Peak:m/z	Relative Intensity
52.26736	1.3
59.01389	18.0
60.19485	1.7
61.52208	1.7
61.98837	11.8
64.50812	1.4
71.27947	1.6
78.95904	4.5
82.88331	1.6
90.15678	1.7
93.07286	1.7
94.43494	1.5
96.96952	2.3
97.02962	3.5
99.00890	21.6
99.92581	21.9
115.92091	38.0
116.92123	2.6
116.92857	11.4
125.09732	5.3
137.02361	1.7
137.38036	1.6
152.99608	2.4
156.99019	1.8
161.02394	3.2
242.52084	1.9
287.22412	1.6
305.07227	1.6
368.17221	2.0
471.34857	16.4
472.35187	2.0
489.35898	2.0
511.34369	4.3
541.26318	2.2
571.27142	46.9
571.36462	100.0
572.29248	8.9
572.36957	9.5
586.25330	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	572.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	6.3
59.01385	54.7
61.98833	73.7
64.53273	4.6
65.75418	5.0
65.76942	5.0
66.68061	4.6
69.00790	46.7
71.01382	21.0
73.02965	10.7
83.01416	11.7
89.02470	8.0
93.03490	14.5
95.01390	8.8
96.96008	11.9
98.21792	7.2
100.40170	5.2
101.02462	15.3
107.01421	8.4
108.02201	5.1
109.02972	11.4
109.06614	5.9
121.02956	9.5
122.03759	16.3
123.00880	24.9
123.04541	9.8
124.01659	21.3
125.02487	48.4
135.04604	5.9
137.02449	32.9
138.03023	4.7
139.00375	4.9
139.04039	23.8
140.04424	5.4
149.02448	17.8
150.03224	63.8
151.03615	22.9
151.07663	18.6
161.02472	19.6
163.04266	4.8
163.05688	4.6
164.04739	6.2
165.01909	12.5
165.05595	73.7
166.02324	5.8
166.05890	29.0
167.03664	6.4
168.00687	6.4
169.01442	49.8
179.03400	8.8
183.02991	13.7
195.06654	87.1
196.06952	31.6
209.11833	5.5
211.02379	5.8
227.12862	9.2
228.13232	5.2
246.07713	6.1
287.15295	5.6
289.07065	6.5
313.05765	28.0
315.08957	5.6
330.11026	7.3
331.11340	6.8
345.13315	12.2
346.13742	16.9
358.13776	12.5
396.11041	22.4
489.32022	9.7
509.13116	100.0
509.20389	14.6
510.13614	9.3
510.21277	5.5
572.14172	7.6
572.24225	30.1
573.12689	11.2
573.25018	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	572.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.6
60.93159	0.2
61.98834	100.0
62.94917	0.2
84.66894	0.2
84.71570	0.2
87.00876	0.2
87.04536	0.3
97.81501	0.2
101.02490	0.2
102.47517	0.2
109.02960	0.3
125.02467	0.3
151.33122	0.2
161.04633	0.2
179.03557	0.2
183.10280	0.2
184.02554	0.2
193.99527	0.2
209.32173	0.2
239.47546	0.2
271.23593	0.2
289.07327	0.6
297.97311	0.2
312.99847	0.2
537.25403	0.2
572.27637	0.7
573.29327	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.321
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
72.99326	0.7
96.96947	1.5
97.06588	1.0
99.92609	3.0
115.92083	3.6
116.92841	1.0
125.09742	2.6
186.46771	0.7
187.09787	1.5
191.51462	0.8
192.74037	0.8
217.29782	0.7
243.72182	0.8
300.73679	0.7
329.23529	0.9
377.39505	0.7
474.33420	0.8
487.34418	18.1
488.34714	8.1
501.34021	2.6
507.42618	0.8
572.32031	63.3
573.24561	7.0
573.32690	4.1
576.09662	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
69.46804	9.2
69.47220	20.6
76.35326	5.0
84.01015	4.6
105.78448	4.4
109.06551	7.1
111.04536	16.6
113.09731	7.5
114.10117	5.6
126.90514	6.2
143.10832	6.7
166.02766	9.3
181.05078	12.2
181.08710	48.1
182.09036	18.5
191.03830	6.2
195.06589	8.9
207.06584	13.1
208.07428	31.1
209.07892	28.0
224.06876	7.4
235.09868	7.0
247.09805	12.1
248.10089	11.2
252.09395	4.9
270.94467	5.0
297.05179	4.7
307.14090	5.7
335.15073	69.0
336.15363	100.0
337.12921	8.1
337.16489	36.5
389.19775	10.4
390.20197	25.7
391.21252	8.1
460.28125	5.9
572.29480	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	573.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60560	1.8
60.20569	1.4
60.99314	13.4
67.67613	1.4
69.16412	11.8
88.98814	81.8
95.01369	1.8
96.96039	1.8
107.01399	3.5
111.00877	2.9
123.00903	10.4
125.02448	21.2
135.38075	1.7
139.00403	12.0
139.04028	2.4
140.01193	9.1
141.01923	2.6
151.00375	3.6
154.02750	9.3
155.03474	2.9
168.00615	3.7
169.01436	26.6
169.05070	3.4
183.02963	9.1
211.02324	1.8
219.49814	1.6
225.04102	2.2
300.99939	3.8
313.05658	4.7
315.69455	1.9
327.07278	3.6
338.73401	1.6
483.11469	100.0
484.11877	8.3
526.50769	1.8
560.56714	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27658	1.6
57.46954	1.4
60.99309	13.4
69.53753	5.1
71.01374	2.9
83.01413	1.5
88.98811	69.5
91.73427	1.5
95.98231	1.6
96.96004	2.1
98.22516	2.0
101.02460	1.6
107.01399	2.4
110.00086	2.4
111.00891	1.8
123.00938	2.8
125.02468	24.4
136.98837	2.6
137.02473	2.5
139.00383	6.5
139.19350	1.9
140.01204	7.2
149.02457	1.4
151.00450	3.1
153.01976	4.3
154.02763	3.6
155.03540	1.5
168.00613	8.0
169.01434	29.5
169.05052	2.6
172.37550	1.6
174.87169	1.5
183.02994	2.1
239.03192	1.8
241.03717	1.7
297.06354	3.9
300.99982	1.7
313.05634	6.4
351.21820	2.9
367.01001	2.5
393.32413	1.8
483.11447	100.0
484.11908	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	573.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09868	2.3
59.01382	6.1
60.99304	15.2
61.61666	2.2
71.01382	6.4
72.99303	2.2
73.02967	4.3
88.98811	100.0
89.02467	3.1
94.38699	2.4
95.01401	4.0
99.00953	2.5
101.02514	3.0
107.01395	5.2
111.00900	3.2
119.40377	2.2
121.03048	1.8
123.00909	7.6
125.02460	31.7
128.02879	2.4
132.14880	2.2
136.98825	2.9
139.00404	16.3
140.01143	6.1
151.00421	6.3
154.02713	9.6
155.03506	2.3
165.01959	7.8
166.02325	2.3
167.07173	4.6
168.00679	14.0
169.01434	41.3
169.05045	3.6
180.04292	2.4
183.02986	4.2
187.09747	5.2
195.06691	2.7
196.06723	2.9
211.02518	10.8
271.04596	12.1
275.01987	3.0
281.74133	2.2
285.04239	2.4
287.99252	2.3
297.06183	2.8
300.62750	2.2
300.99854	5.5
313.05783	11.6
327.06534	2.7
483.11456	90.2
484.11877	7.0
573.21259	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	573.164
Annotation	Unknow
Peak:m/z	Relative Intensity
57.56902	0.7
59.01390	0.9
67.33484	0.6
69.25251	1.1
69.25642	4.0
71.01369	0.8
74.99118	1.0
84.74953	0.7
96.96001	1.3
104.68083	0.7
107.70172	0.8
113.29956	0.8
120.99660	100.0
123.04598	1.1
125.02464	3.1
137.02434	1.3
147.04501	0.8
147.83681	0.9
149.02499	1.3
160.01549	0.7
161.02496	1.0
163.00371	0.7
165.01924	1.4
169.01434	2.6
174.03337	1.0
175.04063	1.6
213.05550	0.8
220.63260	0.8
227.03383	0.9
229.01628	0.8
239.03502	0.8
241.05432	1.5
249.03946	0.9
275.02011	1.3
281.04721	0.7
285.03967	1.9
289.07123	2.2
301.00024	1.5
573.17969	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	573.177
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11849	2.1
57.03442	4.5
59.01371	7.8
61.98825	2.6
69.00849	5.3
69.01238	18.4
69.03436	2.7
69.26318	2.1
71.01385	3.9
73.52703	2.0
78.91888	5.6
83.01398	10.9
89.02445	2.7
93.03439	4.0
95.01388	4.5
95.05000	3.2
96.96006	4.4
97.02950	8.5
101.02441	2.4
108.02176	10.3
109.02946	34.0
111.00883	4.9
113.02454	2.6
119.78510	2.1
121.02958	10.5
121.73425	1.9
122.03715	8.6
123.00877	6.1
123.04532	26.9
124.01675	3.1
125.02464	52.1
125.88355	2.1
134.03732	5.2
135.04533	13.4
136.01649	2.7
137.02463	30.4
137.06085	4.2
139.04031	8.1
145.02953	3.5
146.03728	6.7
147.04568	2.5
149.02422	10.9
149.06081	7.3
151.04019	13.9
157.02922	2.2
158.03711	2.8
159.04488	7.9
160.01657	4.9
160.40759	2.3
161.02478	16.9
161.06087	10.0
162.03259	6.1
163.00404	3.8
163.03973	5.0
164.01161	9.0
165.01955	19.0
167.03438	3.3
169.01456	11.8
173.02399	2.1
173.06039	8.5
174.03209	2.1
175.04016	13.9
176.04747	4.9
177.01945	8.3
177.05550	3.5
179.03525	10.9
181.35693	2.2
187.03996	8.5
187.07683	3.1
188.04808	6.2
189.05542	4.0
190.84595	2.4
191.07111	3.2
199.04077	3.7
199.07588	2.6
201.05635	6.6
202.06389	3.6
203.03514	5.8
203.07137	13.2
205.05040	14.3
213.05521	3.9
215.07079	6.4
216.04259	2.7
217.05038	3.9
217.08713	2.9
221.04129	2.3
221.08046	2.9
227.07150	3.8
229.05061	4.7
229.08598	2.4
231.02927	4.3
239.07153	3.0
243.02994	6.7
244.03691	6.1
245.04604	5.2
245.08163	16.7
247.06076	7.0
256.07288	3.9
257.04572	4.3
257.08286	3.9
258.05267	2.7
259.06119	25.7
259.38104	2.3
264.04242	2.8
267.06564	4.4
268.07333	2.9
269.08215	3.9
271.09683	4.5
273.07718	6.4
275.01828	3.9
279.06580	3.0
281.08200	2.5
282.09024	4.6
283.06006	3.0
283.09747	2.9
285.11414	4.1
287.09250	7.0
289.07184	76.7
290.07483	5.6
294.08810	2.6
297.11346	7.7
299.05597	4.9
300.06415	3.5
300.99954	5.2
301.07120	14.8
337.10638	2.9
351.21542	3.3
363.12375	3.6
367.11758	5.4
405.13312	4.5
411.14633	18.7
423.10831	15.3
449.12637	14.3
511.14706	5.2
529.18750	13.3
555.16620	5.1
573.17578	100.0
574.17847	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	573.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64083	0.8
57.03436	1.0
59.01386	9.7
61.98819	3.2
69.03479	1.4
69.08561	3.9
69.08981	3.1
71.01362	2.4
72.99312	0.9
81.03439	1.0
83.01389	5.4
85.02942	1.1
87.00864	0.9
88.98778	1.2
89.02444	1.7
93.03468	2.6
95.01385	1.3
95.05032	1.2
96.95974	1.0
97.02969	4.9
97.69504	0.9
101.02462	2.6
107.01389	1.5
108.02168	4.8
109.02964	15.6
111.00884	2.7
119.03537	1.0
120.99630	1.9
121.02955	5.4
122.03768	5.5
123.00874	3.6
123.04530	12.9
124.01682	1.7
125.02464	21.1
126.02692	0.9
133.03026	1.6
134.03755	2.0
135.04515	6.0
136.01814	0.9
137.02448	16.1
139.00415	1.7
139.04018	2.8
140.01155	0.9
145.02936	1.9
146.03732	2.4
149.02466	7.8
149.06076	3.6
150.03233	1.8
151.00302	1.4
151.04042	4.7
153.01912	1.0
158.03711	1.5
159.04517	3.7
160.01694	1.6
160.04002	1.1
160.05302	2.3
161.02461	10.0
161.06131	4.4
162.03235	3.2
163.00398	1.7
163.03972	2.5
164.01180	4.5
165.01933	11.6
165.05542	1.7
166.02693	1.2
167.03464	1.1
168.00664	1.5
169.01439	5.0
172.05232	1.1
173.02390	1.3
173.06076	4.3
174.03261	1.1
175.03989	5.4
175.07648	2.4
176.01143	1.4
176.04793	2.2
177.01913	3.3
177.05595	2.3
178.43994	0.9
179.03513	3.5
184.00139	0.9
185.06090	1.7
187.03990	4.0
188.04773	4.3
189.05524	3.4
191.07111	1.5
197.06021	0.9
199.03999	0.9
199.07582	2.1
201.05536	4.9
201.09221	0.8
202.06299	1.3
203.03506	2.2
203.07185	6.0
204.04164	1.1
205.05107	7.5
211.02354	1.2
212.04803	1.0
213.05522	2.8
214.06250	0.9
215.07190	3.2
216.04268	2.3
217.05016	2.3
221.08269	1.6
227.07184	1.6
228.04398	2.0
229.05106	2.2
231.03015	2.5
231.06587	2.1
236.76791	0.9
237.09212	1.4
239.07135	1.6
243.02930	3.1
243.06590	1.5
244.03799	2.1
245.04590	5.2
245.08171	5.6
247.06032	4.4
255.06689	1.1
257.04578	4.5
257.08173	1.0
258.04993	1.2
259.06104	13.0
267.06577	3.6
268.07208	1.5
269.08066	2.3
270.08942	1.3
271.09711	2.2
273.07623	2.7
275.05621	1.4
278.05930	1.0
279.06625	2.2
280.07407	1.9
281.08218	1.9
282.08932	6.1
283.09592	2.1
285.07971	1.0
285.11331	5.3
287.05667	2.4
287.09036	1.4
289.07178	16.4
293.08463	1.1
294.08923	1.9
295.09705	1.8
297.11353	8.2
299.05649	3.7
299.12903	1.1
300.06235	1.3
300.99744	1.5
301.07092	4.2
307.09622	1.2
308.10397	1.1
309.11188	1.7
310.08530	1.1
325.10867	1.0
351.17957	1.0
351.21765	28.4
352.22086	1.6
363.12219	1.4
367.11804	3.9
367.15576	2.3
411.14554	18.4
412.14932	1.8
421.13071	1.2
423.10837	2.4
431.11322	3.4
449.12448	5.1
450.13339	1.0
451.14087	1.1
463.13925	1.1
483.18661	1.9
505.18726	1.5
511.14761	1.3
516.97339	1.1
529.19000	9.3
530.19080	1.3
535.39069	1.0
537.19916	2.8
555.16266	2.6
568.51501	1.0
573.17572	100.0
574.17773	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	573.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	9.6
60.99310	13.1
61.98820	5.1
69.20148	2.1
71.01378	6.7
72.99308	2.2
73.02916	2.3
78.14774	2.2
82.06651	2.1
83.01424	2.5
83.27871	2.1
84.95119	2.2
85.02934	2.7
88.98814	81.4
93.03461	7.5
99.00919	2.4
101.02449	4.4
108.02169	2.8
109.02943	3.6
110.45252	2.1
111.00897	3.6
111.04533	3.0
113.02437	2.8
116.05061	4.5
120.99673	6.3
121.03003	15.5
121.03735	3.2
122.03741	10.4
123.00887	7.8
124.32756	2.1
125.02471	11.6
136.01607	2.7
137.02504	5.8
141.01950	7.7
149.02454	59.8
150.03241	85.6
151.00339	6.7
151.03740	3.7
153.14119	2.3
160.04056	94.9
160.05373	4.8
161.04417	38.5
163.04039	4.3
164.04797	14.0
165.01868	3.6
165.05580	100.0
166.06380	33.8
167.07037	3.1
169.01421	14.9
175.03995	3.0
179.03551	2.4
179.07227	3.4
180.04262	2.8
181.08736	19.3
190.02742	2.9
195.06647	64.6
204.02986	4.8
205.05083	2.7
235.06284	2.3
314.11618	7.3
329.10199	4.4
329.13870	34.2
343.11914	31.6
353.86749	2.3
366.08301	9.7
367.08545	13.6
387.17068	3.1
483.18762	87.7
484.19092	5.6
525.21411	22.3
526.21289	2.7
573.14948	8.7
573.31360	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	573.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	9.6
60.99310	13.1
61.98820	5.1
69.20148	2.1
71.01378	6.7
72.99308	2.2
73.02916	2.3
78.14774	2.2
82.06651	2.1
83.01424	2.5
83.27871	2.1
84.95119	2.2
85.02934	2.7
88.98814	81.4
93.03461	7.5
99.00919	2.4
101.02449	4.4
108.02169	2.8
109.02943	3.6
110.45252	2.1
111.00897	3.6
111.04533	3.0
113.02437	2.8
116.05061	4.5
120.99673	6.3
121.03003	15.5
121.03735	3.2
122.03741	10.4
123.00887	7.8
124.32756	2.1
125.02471	11.6
136.01607	2.7
137.02504	5.8
141.01950	7.7
149.02454	59.8
150.03241	85.6
151.00339	6.7
151.03740	3.7
153.14119	2.3
160.04056	94.9
160.05373	4.8
161.04417	38.5
163.04039	4.3
164.04797	14.0
165.01868	3.6
165.05580	100.0
166.06380	33.8
167.07037	3.1
169.01421	14.9
175.03995	3.0
179.03551	2.4
179.07227	3.4
180.04262	2.8
181.08736	19.3
190.02742	2.9
195.06647	64.6
204.02986	4.8
205.05083	2.7
235.06284	2.3
314.11618	7.3
329.10199	4.4
329.13870	34.2
343.11914	31.6
353.86749	2.3
366.08301	9.7
367.08545	13.6
387.17068	3.1
483.18762	87.7
484.19092	5.6
525.21411	22.3
526.21289	2.7
573.14948	8.7
573.31360	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	573.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98843	1.0
68.78791	0.8
70.84907	1.7
81.58186	0.9
93.03468	4.8
121.02970	18.1
122.03770	12.3
123.04565	2.0
125.02437	2.2
133.02901	0.9
135.04530	1.8
137.02393	1.3
149.02449	57.0
150.03239	96.8
151.03778	1.7
160.38379	0.9
164.04807	13.4
165.05577	100.0
166.06366	37.7
167.07152	4.3
169.01460	1.3
175.03987	2.4
180.04326	6.8
181.05032	1.0
181.08717	24.8
195.06636	73.0
196.06967	2.1
217.17494	0.8
218.76382	1.0
255.06697	1.0
259.06177	1.1
267.06723	1.4
267.46274	0.9
269.08182	1.2
270.08969	1.1
285.07901	1.9
298.08337	0.8
299.09332	1.6
313.10712	3.6
314.11530	5.4
318.97986	0.9
328.09457	1.8
329.10309	2.2
329.13937	27.4
330.14197	1.9
343.11899	32.0
344.12201	2.8
377.16125	2.0
391.13904	2.0
515.76782	0.9
525.21338	38.1
525.29254	2.1
526.21722	2.6
573.22668	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.1
61.98844	3.9
63.48615	0.6
70.16805	1.3
70.17130	1.2
71.05014	1.2
73.35236	0.6
78.95910	1.2
85.02999	0.9
99.00922	0.7
99.92599	27.0
100.92715	1.1
100.93360	5.6
111.08117	0.7
112.54270	0.8
115.92094	52.9
116.92113	1.6
116.92879	2.8
125.09746	1.0
165.63969	0.7
181.08702	1.8
208.26628	0.7
337.13028	1.1
345.52045	0.7
425.30838	2.9
427.32217	0.8
467.92490	0.8
473.32852	2.7
475.32654	0.8
555.24182	4.6
558.22223	0.9
573.25330	100.0
574.25519	13.6
587.23596	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.1
61.98834	50.5
62.27534	1.2
69.07240	12.2
71.01366	1.4
72.99271	1.5
97.06592	3.3
98.22536	3.3
99.92589	30.1
100.93383	3.1
115.92085	47.7
116.92852	6.7
123.08137	1.5
125.09751	15.6
142.94434	1.6
187.09766	5.6
189.62436	1.4
280.91281	1.4
331.24850	2.6
487.34048	4.4
488.34814	11.0
489.19543	2.9
489.34656	2.1
501.34366	20.5
525.22839	3.6
555.24030	8.2
572.32355	2.4
573.25049	100.0
573.32941	26.4
574.25354	11.2
574.32983	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	5.7
59.01368	7.7
61.98818	8.3
69.13251	14.9
73.38029	2.6
83.05033	7.3
83.58884	2.4
95.05030	9.3
96.36985	2.4
96.96013	5.2
97.06604	44.1
99.00875	3.5
99.92623	2.8
111.08164	37.7
115.07723	4.1
115.92036	6.1
116.92845	6.1
123.08173	7.7
124.74342	2.7
125.09727	79.9
159.06645	32.2
169.08644	4.7
173.08197	30.2
187.09766	63.8
233.10216	4.2
247.11766	3.7
261.13452	9.4
292.06781	2.7
309.28873	2.7
403.19644	28.6
417.21362	10.5
431.22937	8.2
457.33313	4.0
499.30655	18.5
501.32593	5.9
573.29218	100.0
574.29755	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	573.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.1
57.03432	1.5
58.00580	1.6
59.01384	52.5
60.45588	0.9
61.98831	1.4
66.01345	1.0
67.60010	1.0
71.01389	33.4
72.99316	3.2
75.27711	0.9
85.02956	5.1
87.00867	2.1
88.98811	6.1
89.02454	53.7
95.01395	2.8
97.02925	1.3
100.38493	1.2
101.02460	16.1
107.01401	4.2
111.00876	2.1
113.02459	14.2
119.03513	17.5
123.00909	7.0
124.01720	2.1
125.02457	23.0
131.03545	2.3
139.00407	4.0
140.01198	2.9
141.01967	1.1
143.03542	5.4
149.04535	1.2
151.00380	4.4
151.11172	1.1
153.01915	1.3
161.04599	6.4
166.99994	1.1
168.00658	3.9
169.01448	23.4
179.05626	33.6
249.48769	1.1
255.17761	1.0
269.19080	2.2
287.20261	3.2
289.21729	2.8
313.05481	1.3
333.20569	5.7
349.20334	2.4
351.21777	100.0
352.22113	6.3
373.26117	3.1
393.22821	1.5
403.10428	3.7
421.11417	11.5
462.10483	1.2
573.12579	59.0
574.12915	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	573.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07689	0.8
57.03453	0.9
58.00595	1.4
59.01382	43.6
61.98827	5.2
66.86049	0.9
69.16888	5.9
71.00979	1.6
71.01382	32.7
72.99332	3.4
75.40730	0.9
80.58027	0.8
85.02950	5.3
87.00887	1.2
89.02450	46.7
90.74028	1.0
93.03442	2.1
95.01393	1.8
96.96042	2.0
101.02449	14.8
107.01453	0.8
108.67439	1.0
113.02465	13.0
119.03523	18.1
123.00878	2.2
123.04524	1.2
125.02460	9.0
131.03490	2.3
137.02493	5.2
139.00394	1.5
143.03506	4.8
149.02429	1.4
150.03236	2.6
151.00467	1.4
151.04012	1.8
161.04556	4.9
165.05586	1.9
166.02652	0.9
167.03517	1.1
169.01485	5.3
179.05627	27.7
179.07169	2.0
181.05075	1.5
195.06604	1.3
199.62372	1.1
225.35538	1.0
248.90353	1.1
283.55392	1.1
285.18683	1.1
287.20215	2.7
305.21176	3.4
307.22736	1.3
333.20740	4.4
349.20288	1.8
351.21756	100.0
352.22043	5.2
415.10754	1.2
532.55371	1.0
573.12634	6.9
573.22296	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.56066	0.5
57.59052	0.5
59.01387	20.6
61.98817	1.4
67.25768	0.5
69.31376	0.6
71.01382	1.2
71.29397	0.7
72.20364	0.5
73.14848	0.6
83.25638	0.5
88.76718	0.5
88.98821	0.5
89.02465	0.8
91.57096	0.5
93.71116	0.5
101.02448	0.9
107.01424	0.7
108.13898	0.6
119.03474	0.7
121.55735	0.5
123.00882	1.6
123.04602	0.5
124.01665	0.8
125.02441	3.4
137.02374	0.7
139.00385	0.6
150.03311	0.7
150.46864	0.5
151.00356	0.9
151.03941	0.7
155.82016	0.5
167.03459	0.6
167.36513	0.6
167.38029	0.5
168.00662	1.3
169.01437	2.9
229.96350	0.5
287.20218	0.7
300.99927	1.7
312.99921	1.1
328.02194	0.8
331.07944	0.6
351.21774	100.0
352.22107	6.4
361.13077	0.6
393.22632	0.5
434.17804	0.5
491.08270	1.6
511.15268	0.6
513.26904	1.4
519.18683	1.2
525.21271	1.0
537.19934	5.3
538.20300	0.7
573.22253	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89851	1.8
57.48724	1.8
59.01379	17.9
61.67197	1.6
61.98834	10.5
64.57790	1.6
71.01400	3.4
71.30224	2.9
82.31184	1.8
89.02465	2.9
94.18726	1.6
98.44534	1.7
99.00934	1.6
99.92601	3.1
101.02454	3.4
115.92075	5.3
116.92876	4.2
161.02415	1.7
164.00099	1.6
240.61351	1.7
241.75389	1.9
253.09264	15.8
277.21738	100.0
278.22067	5.1
400.47842	1.9
492.54529	1.7
573.25305	5.8
573.33398	3.1
585.25330	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	573.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	0.5
55.63592	0.5
56.42993	0.5
57.03456	2.7
59.01379	0.7
61.98828	1.1
69.82433	1.4
73.02971	0.4
75.00865	0.7
83.05015	0.7
89.02451	0.9
95.05056	1.3
97.06598	9.4
99.00896	1.6
99.92609	1.2
108.88541	0.5
109.55827	0.4
113.09717	0.4
115.04111	0.5
115.92081	2.9
116.92883	1.4
117.01930	0.5
121.50675	0.4
123.08183	5.0
125.09734	59.2
126.10067	1.4
127.11286	1.3
134.26431	0.4
143.10791	1.4
145.02992	0.4
155.10789	0.5
157.12329	0.7
159.10318	0.5
169.08679	1.3
171.10268	1.1
181.08746	1.3
187.09769	30.9
188.10164	0.6
206.98891	0.5
209.08249	0.9
225.07509	0.5
282.58566	0.4
295.22842	1.3
313.23883	7.1
329.23593	0.6
331.24915	21.3
332.25211	1.0
473.35184	2.0
474.34857	0.5
483.33340	3.7
501.34375	100.0
502.34683	11.5
555.23987	0.6
573.25385	4.9
573.36139	9.1
574.25739	0.8
574.36346	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88702	0.9
59.07146	0.8
70.12202	0.8
70.96873	1.3
94.67429	0.9
96.96075	0.8
117.03477	18.8
119.05061	1.9
121.02976	2.4
136.57397	0.9
138.69977	0.8
145.02965	47.5
146.03329	1.3
194.34192	0.8
218.93420	0.8
261.34894	0.8
270.70834	0.9
573.39514	100.0
574.39862	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	574.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67936	0.2
56.04723	0.2
57.03439	0.2
59.01378	0.4
60.14455	0.2
61.25125	0.2
61.98834	100.0
69.02095	2.3
71.01400	0.4
72.59194	0.2
78.95921	0.5
87.04504	0.3
95.28655	0.3
96.96983	0.3
97.37889	0.2
98.22536	0.6
99.92661	0.3
111.04604	0.2
113.39101	0.3
115.92078	0.7
116.92905	0.7
125.02436	0.4
128.21388	0.2
152.77881	0.2
152.99644	0.4
153.09323	0.3
163.11375	0.3
179.07234	0.2
181.08696	1.4
202.58585	0.3
216.42149	0.2
267.59509	0.3
293.89114	0.3
309.21039	0.3
327.22083	0.4
339.14532	1.8
345.23022	0.3
474.33600	0.3
494.58258	0.3
574.22455	0.4
574.34003	0.8
575.35187	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
62.44918	0.2
62.61552	0.2
69.71326	0.8
71.01398	0.2
79.95742	3.2
96.96019	100.0
97.95930	0.2
104.06623	0.2
107.01413	0.5
108.43090	0.2
111.78902	0.2
121.02960	0.3
125.02429	0.3
129.57401	0.2
139.56496	0.2
151.00363	0.8
163.00407	0.2
165.35442	0.2
178.99893	0.4
301.03555	4.1
302.03754	0.3
350.83945	0.2
356.99188	0.3
370.97037	0.3
399.00186	0.4
403.94037	0.2
477.06845	2.6
478.07001	0.2
573.22003	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	13.9
60.01728	1.0
60.99312	13.5
61.98836	67.0
69.00934	2.5
69.24449	2.3
69.24860	4.1
71.01385	9.3
85.02973	1.3
88.98812	100.0
89.02462	11.9
90.02780	1.9
91.57407	1.0
98.07581	1.0
101.02457	3.0
108.02174	1.7
109.02941	1.3
109.19511	1.0
113.02463	2.3
114.02715	1.2
115.41174	1.2
117.32339	1.0
119.03493	6.3
123.04568	1.3
125.02435	3.6
161.04485	1.6
167.03513	1.2
169.01471	2.7
170.01831	1.1
179.05627	5.8
180.06030	1.8
241.05070	2.0
243.06529	1.2
287.20187	1.2
334.20987	1.6
351.21683	8.3
352.22098	15.2
353.22336	6.6
485.12408	6.2
533.26282	1.3
575.03497	1.3
575.12653	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	575.12
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.1
59.81247	0.4
60.45438	0.5
60.99314	15.7
61.98846	2.7
61.99110	0.5
62.30854	0.5
88.98815	100.0
89.69889	0.5
93.48894	0.5
96.95992	0.7
101.38981	0.5
107.63257	0.5
125.02404	0.5
167.03587	0.6
190.19357	0.5
241.05191	0.8
243.06714	2.8
244.06898	0.6
332.96249	2.8
575.01941	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27042	5.3
57.03431	5.0
58.43303	4.2
59.01376	28.2
64.50076	4.1
71.01379	25.4
71.29797	8.0
78.95885	4.9
83.01383	5.8
85.02952	10.0
88.98824	5.7
89.02430	20.5
95.01394	6.6
96.96014	32.7
97.21338	5.0
100.67136	5.0
101.02457	19.2
108.02162	5.7
109.02930	9.5
111.00841	9.1
111.04930	5.7
113.02437	14.3
118.77981	4.8
119.03548	8.0
123.04551	13.9
125.02457	55.0
133.02928	5.9
137.02403	6.0
149.02432	11.5
150.03238	45.4
151.03989	10.5
161.02406	10.2
161.04591	5.8
165.05585	53.5
169.01390	20.6
177.01938	5.5
179.05569	14.6
195.06584	48.0
287.05545	11.4
289.07263	6.9
309.42172	5.2
329.13840	9.7
343.13959	14.9
349.46259	5.2
491.19266	100.0
492.19885	11.1
528.50830	5.6
539.21301	52.3
575.10510	14.9
575.19275	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	575.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27042	5.3
57.03431	5.0
58.43303	4.2
59.01376	28.2
64.50076	4.1
71.01379	25.4
71.29797	8.0
78.95885	4.9
83.01383	5.8
85.02952	10.0
88.98824	5.7
89.02430	20.5
95.01394	6.6
96.96014	32.7
97.21338	5.0
100.67136	5.0
101.02457	19.2
108.02162	5.7
109.02930	9.5
111.00841	9.1
111.04930	5.7
113.02437	14.3
118.77981	4.8
119.03548	8.0
123.04551	13.9
125.02457	55.0
133.02928	5.9
137.02403	6.0
149.02432	11.5
150.03238	45.4
151.03989	10.5
161.02406	10.2
161.04591	5.8
165.05585	53.5
169.01390	20.6
177.01938	5.5
179.05569	14.6
195.06584	48.0
287.05545	11.4
289.07263	6.9
309.42172	5.2
329.13840	9.7
343.13959	14.9
349.46259	5.2
491.19266	100.0
492.19885	11.1
528.50830	5.6
539.21301	52.3
575.10510	14.9
575.19275	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	575.2502
Annotation	Hellebortin B
Peak:m/z	Relative Intensity
59.01346	0.4
61.98777	1.1
62.84686	0.3
69.14415	0.8
69.14827	1.4
73.14827	0.3
75.60026	0.3
79.57680	0.3
83.56151	0.3
86.28596	0.3
95.62955	0.6
109.02901	0.8
111.04504	0.7
113.09694	0.5
115.91985	0.5
120.79745	0.3
125.09684	1.4
127.10245	0.3
127.51782	0.3
128.83716	0.3
167.03473	0.4
179.07120	1.0
181.08687	1.9
183.06578	0.4
185.75291	0.3
187.09727	1.0
274.65176	0.3
284.06863	0.5
285.07635	1.3
297.04037	0.4
298.04935	0.8
311.05524	0.7
311.12845	0.4
313.24091	0.4
331.24844	0.4
337.10843	4.1
339.14536	1.4
340.09439	1.0
351.12460	0.6
355.11871	88.8
356.12189	5.7
369.13489	1.8
370.13806	0.4
413.19708	100.0
414.20087	7.1
455.20963	0.7
483.32950	0.4
501.34161	0.9
555.43445	0.4
575.25006	13.9
575.38354	1.9
576.25201	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2713
Annotation	Atractyloside I
Peak:m/z	Relative Intensity
51.54709	0.8
55.01870	3.6
57.03448	4.9
58.00595	4.4
59.01382	79.1
60.01704	1.1
61.98824	3.4
69.03445	2.7
69.60226	0.9
71.01385	86.3
71.05016	1.0
71.28892	1.1
72.65607	1.0
72.99295	4.3
73.02955	21.7
74.13406	0.8
75.00866	1.5
76.73362	1.1
81.03459	1.2
82.95378	1.3
83.01399	8.7
83.05013	1.0
85.02956	30.0
86.00107	3.1
87.00884	11.8
87.04510	1.1
88.85522	0.8
89.02451	60.6
93.03448	1.5
95.01389	6.1
96.96017	3.5
97.02943	3.3
97.09247	0.9
99.00880	6.9
101.02449	71.1
101.06089	3.6
102.98651	1.1
103.03979	1.1
108.02181	1.7
109.02964	1.4
111.00900	3.3
111.04531	1.4
113.02460	38.0
119.03516	24.8
123.00858	1.0
125.02466	11.0
126.02806	1.0
129.01918	1.2
131.03508	6.3
137.02470	2.5
139.04031	1.5
139.11261	2.0
141.01961	1.6
143.03488	7.7
147.11803	0.9
149.02443	1.0
149.04559	1.9
151.00356	1.5
151.03999	3.4
152.01224	1.1
153.01904	1.1
159.02989	4.0
161.02515	2.0
161.04565	28.5
163.11299	3.0
164.04779	1.5
165.01891	1.0
165.05540	1.0
169.01472	1.8
177.05745	0.9
178.99779	1.0
179.05621	37.2
179.07063	1.4
181.05019	0.9
181.12370	4.4
191.03438	0.9
192.00714	1.6
193.05096	1.8
199.04004	1.1
205.05122	1.0
207.02858	1.1
215.14468	1.5
219.06583	3.0
221.06665	13.3
225.11259	1.2
241.26920	1.1
243.03023	1.9
251.16437	1.6
253.14497	1.1
255.03093	1.9
261.07764	1.3
263.07816	2.3
264.71851	0.9
271.02521	3.7
287.15076	1.2
289.07248	1.4
300.02740	4.6
311.18607	1.0
323.09760	5.9
323.18582	2.8
341.10632	1.1
343.17578	11.4
371.24313	1.7
375.27423	1.3
395.20752	3.3
413.08575	1.1
413.21814	24.9
414.22037	1.8
505.22943	37.3
506.23166	2.3
539.34192	2.0
557.26105	11.2
575.13513	4.1
575.27130	100.0
576.27490	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	575.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43135	0.6
57.03448	1.3
59.01383	39.8
71.01385	6.1
73.02954	2.0
83.01394	1.0
85.02957	2.0
87.04519	1.2
88.98819	2.0
89.02451	3.2
96.96039	1.4
97.02956	0.8
98.21765	1.1
101.02452	3.9
113.02442	2.4
119.03518	1.3
125.02461	1.3
139.11301	23.0
140.11633	0.7
163.11192	0.7
165.09196	1.5
169.12442	0.8
179.10794	1.1
181.12332	6.9
183.10269	28.6
184.10478	0.9
187.13443	2.1
195.13995	0.9
225.11337	7.7
243.12428	3.0
331.17792	0.8
349.18744	1.0
515.28699	0.8
557.29919	4.7
575.30768	100.0
576.31140	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	575.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92203	1.5
58.28726	1.7
59.01385	17.5
61.98836	3.4
69.23950	13.3
71.01386	3.7
73.02955	2.3
73.71709	1.7
89.02451	2.3
96.03712	1.6
96.39562	1.7
96.96021	7.5
98.22581	3.7
101.02428	3.7
113.07067	1.6
115.92081	2.3
132.57225	1.6
161.02472	2.3
253.09326	11.4
279.23325	100.0
280.23776	5.1
298.07370	1.6
390.03110	1.8
456.71768	1.8
575.33862	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	575.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00302	1.1
55.10512	1.1
59.01384	100.0
61.98818	3.3
69.00894	11.6
71.69164	1.0
78.95825	0.9
87.59644	1.1
90.20171	1.1
99.92593	4.3
115.92097	1.7
116.92867	5.0
161.02440	2.8
169.21231	1.0
197.16150	1.4
225.43832	1.7
253.77641	1.2
261.82248	1.2
330.59613	1.1
437.34131	3.9
484.44839	1.2
557.32343	1.3
575.26849	5.2
575.35535	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3801
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	4.1
58.18727	1.3
59.01381	2.8
60.63482	1.3
61.98821	5.6
69.03366	10.2
72.99325	1.5
73.23259	1.2
76.89903	1.2
77.59795	1.3
94.50019	1.2
95.05017	1.4
97.06602	12.2
105.38337	1.2
115.92082	1.7
123.08206	8.2
125.09737	74.7
126.10084	1.2
127.11309	1.4
169.08725	2.2
173.11835	11.5
187.09775	35.3
188.10101	1.3
237.14868	1.4
240.41548	1.2
247.20657	4.4
265.21820	3.5
291.19629	2.8
295.22830	2.7
309.20773	4.9
313.23856	9.7
327.21622	6.9
331.24890	17.8
345.22937	3.4
483.33362	18.4
501.34378	47.8
502.34549	4.4
531.37170	1.8
575.38116	100.0
576.38477	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	576.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.4
60.99311	2.1
61.98835	100.0
69.32271	0.4
69.47430	1.4
69.47830	1.0
88.98811	12.4
89.02469	0.7
89.99146	0.9
90.10780	0.4
93.03464	0.5
98.22542	0.9
109.02957	0.5
125.02513	1.4
134.19530	0.4
169.01437	0.9
176.13947	0.5
299.99115	0.5
351.21756	0.6
411.50439	0.6
486.13016	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	576.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96009	0.5
61.37152	0.5
61.98834	100.0
71.01395	0.7
78.98640	0.6
79.95760	0.8
80.96507	4.1
85.00472	0.6
94.98107	0.9
128.88429	0.5
148.99220	0.6
152.98695	0.6
183.72894	0.5
185.63246	0.5
216.86662	0.5
219.62955	0.5
225.00769	0.9
577.26794	7.1
577.34131	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48285	0.7
53.68363	0.7
55.27266	0.8
56.49409	0.7
59.01094	0.9
59.01384	15.7
61.98841	4.9
65.07420	0.7
66.53113	0.9
75.61015	0.8
78.95914	5.6
118.89959	1.0
152.99562	1.7
157.83328	0.9
168.04350	1.8
180.62498	0.7
203.55386	0.8
224.07210	0.9
242.08017	3.2
277.21753	100.0
278.21964	6.2
375.43475	0.8
400.68509	0.9
468.23431	0.8
477.63220	1.0
502.29486	26.2
503.29776	1.7
576.32129	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.9932
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67953	1.0
57.03433	4.7
59.01381	5.4
60.72717	1.0
71.01384	5.0
71.28349	1.4
79.95737	3.8
82.84885	0.8
83.01372	1.3
85.02934	1.6
85.31253	1.0
89.02460	2.2
95.01336	1.0
96.96020	100.0
97.95965	1.4
98.95601	47.3
98.96407	6.9
99.92599	20.6
100.93362	1.6
101.02434	1.9
105.15672	1.0
107.01420	1.3
108.02202	1.4
109.02946	5.6
111.00884	1.7
113.02439	1.4
115.92076	12.2
116.47231	1.0
116.92872	10.4
117.03478	1.2
118.19491	1.1
123.04513	3.9
125.02460	27.0
133.03102	1.0
137.02495	6.1
142.94432	1.9
149.02469	1.4
151.00334	1.9
151.03984	2.4
161.02451	4.8
161.04642	1.2
165.01891	1.3
169.01463	1.5
175.04021	2.9
182.03575	1.0
187.03903	1.2
188.04739	1.1
197.02458	1.5
199.04160	1.1
203.07162	1.7
215.95180	2.4
226.02766	3.2
243.02992	1.5
245.08170	2.3
255.03128	2.6
257.94800	3.8
258.95526	1.6
271.02420	3.2
273.04099	1.1
275.02237	1.7
280.03766	2.1
283.02271	1.3
287.05603	2.4
289.07245	11.8
293.04538	3.3
295.02496	1.4
295.94312	1.7
296.95010	1.9
297.95703	1.1
299.02054	2.6
299.05603	1.5
299.99127	1.1
300.02423	1.3
301.00174	2.0
301.03632	3.1
308.95181	1.3
310.96545	1.7
312.94315	1.6
325.95178	2.8
326.95938	4.1
338.96317	1.5
339.08829	1.1
340.93936	1.6
353.94653	3.9
354.95523	21.6
355.95743	2.0
366.95328	2.2
367.96469	2.2
368.97012	1.6
370.95111	1.3
377.94760	1.7
378.95474	2.6
379.96323	2.9
380.97144	6.9
381.97943	1.9
382.95004	34.3
383.95422	3.9
391.96036	1.1
392.97150	7.6
394.95264	1.4
395.95840	20.3
396.96735	6.1
397.05432	2.9
398.94418	1.5
400.32535	1.1
400.96063	1.7
405.93997	1.6
406.94931	3.3
407.07617	10.4
407.95645	1.5
408.96490	4.2
409.97427	6.0
410.98148	32.0
411.98370	2.7
413.08618	1.4
423.95264	2.0
424.95972	1.4
425.08823	2.4
450.97522	3.1
451.10373	2.6
460.05997	1.1
468.98813	5.7
477.07132	1.6
480.05603	1.6
496.98083	3.5
497.98624	2.5
514.99036	1.5
540.97125	2.3
577.13348	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	577.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	13.7
59.01391	1.5
63.57048	0.9
67.01909	0.8
69.32848	2.7
69.33276	2.9
74.12206	0.8
80.27535	0.8
81.03472	2.4
83.01385	3.4
93.03429	1.3
95.05001	1.8
97.02933	2.4
107.05008	1.3
109.02966	17.0
117.03474	1.2
121.02943	3.5
123.04540	10.7
125.02458	100.0
126.02769	2.3
133.02989	4.1
135.04532	1.1
137.01486	1.3
137.02464	19.9
139.04056	1.6
145.02974	1.0
147.04553	1.1
149.02484	4.5
149.03465	0.9
151.04016	10.3
159.04530	2.8
161.02455	25.5
161.06079	3.5
162.03134	2.1
163.00343	1.8
163.04060	2.9
164.01208	4.6
165.01991	4.8
167.03496	1.3
172.72466	0.9
174.18103	0.9
175.03986	6.8
175.07677	1.0
177.01939	4.5
177.05556	1.4
179.03514	3.7
187.04045	4.5
188.04727	2.7
189.05537	1.2
199.03970	1.1
201.05595	1.4
202.06342	1.1
203.07182	7.4
205.01443	2.1
205.05164	4.3
213.05536	1.0
215.03539	1.5
217.04993	1.8
221.08105	1.6
227.03473	1.7
227.07083	2.0
229.05008	3.0
243.03000	3.1
243.06517	1.2
245.04602	3.6
245.08176	9.0
247.06204	1.0
255.03052	5.2
256.03754	4.2
257.04495	1.6
271.06094	1.4
273.04111	4.8
281.04517	2.9
283.02676	1.4
285.03983	1.4
287.05579	6.3
289.07190	55.1
290.07492	3.0
299.05469	5.1
300.05972	1.1
321.07523	1.1
339.08646	1.9
381.09879	2.4
397.05579	2.1
407.07700	38.9
408.08282	4.2
423.11063	1.1
425.08817	13.2
426.09274	0.9
451.10471	6.0
577.13226	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	18.4
65.03953	1.3
66.92789	1.2
69.49661	2.0
69.50063	4.2
81.03436	2.1
83.01389	5.1
93.03473	2.0
95.05025	3.1
97.02976	4.9
98.21754	1.4
107.05040	2.2
108.02210	1.1
109.02958	19.9
121.02939	3.7
122.03787	1.2
123.04539	16.1
125.02457	100.0
126.02840	1.3
133.02960	4.1
135.04515	1.6
137.02461	19.1
139.04013	4.1
145.02928	1.7
146.03780	1.8
149.02423	6.6
150.03343	1.5
151.04025	13.1
158.03558	1.3
159.04535	3.2
161.02463	25.3
161.06090	3.4
162.03209	2.3
163.00441	2.9
163.04068	2.8
164.01189	3.6
165.01894	3.8
167.03609	1.5
170.82417	1.2
173.06036	1.4
175.04008	9.5
177.01950	5.0
178.02640	1.4
179.03491	2.8
187.04028	8.8
188.04803	5.3
189.05598	1.3
199.07724	1.7
201.05563	1.8
202.06340	1.6
203.03561	1.8
203.07118	12.3
205.01361	1.9
205.05069	8.4
213.05492	2.4
227.03510	2.8
227.07127	2.7
229.05013	2.7
230.05656	1.4
243.03032	1.5
243.06544	1.7
245.04544	3.9
245.08214	10.9
255.02901	9.4
256.03729	5.9
269.04584	2.6
273.04166	3.3
281.04471	2.1
285.04193	3.4
287.05710	7.1
289.07205	72.6
290.07471	3.3
299.05490	5.9
329.06891	1.3
339.08820	3.7
339.53885	1.4
381.09665	3.4
407.07697	60.5
408.08078	4.1
425.08850	16.0
426.09280	1.2
451.10373	12.5
577.13336	4.1
596.60376	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	17.1
69.03445	1.4
70.62686	2.6
81.03474	3.9
83.01398	6.2
93.03461	2.6
95.01440	1.9
95.05043	2.2
97.02953	4.4
105.03415	1.1
109.02961	21.7
121.02951	3.7
123.04546	16.7
125.02457	100.0
126.02803	1.7
133.02969	4.8
135.04532	2.7
137.02457	22.3
139.04062	3.1
145.02905	2.0
146.03778	1.3
149.02431	6.5
151.04021	12.0
159.04547	3.8
160.05434	1.5
161.02454	31.2
161.06053	3.1
162.03102	2.8
163.00397	1.9
163.04019	3.5
164.01161	4.0
165.01900	5.1
167.03627	2.0
173.06036	1.4
175.04028	10.0
177.01959	6.5
178.02734	1.4
179.03500	3.8
187.04034	9.6
188.04787	4.3
191.03593	1.7
193.61142	1.2
201.05606	2.5
202.06458	1.8
203.07115	10.1
205.01370	2.6
205.05067	6.3
213.05479	2.0
217.05179	1.8
221.08188	1.6
227.03513	2.7
227.07231	2.5
228.04230	2.5
229.05013	2.6
231.02919	1.4
243.02956	3.4
245.04591	5.1
245.08176	12.4
255.02998	8.8
256.03793	5.0
257.04578	2.2
273.03979	5.2
281.04611	2.6
285.04010	2.3
287.05588	9.0
289.07196	69.8
290.07434	3.2
299.05670	5.9
329.06812	1.9
339.08817	4.1
381.09937	3.0
407.07739	66.2
408.08142	4.9
425.08835	21.2
426.09076	2.6
451.10443	11.9
577.13544	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	577.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	13.9
69.48386	4.7
69.48672	1.0
81.03445	1.4
83.01382	4.3
87.22250	1.0
93.03454	1.7
95.01379	1.4
95.05029	2.4
96.94225	1.2
97.02958	4.4
107.05026	1.3
108.02227	1.1
109.02961	17.2
112.10825	1.1
117.03479	0.9
121.02972	3.5
123.04546	12.1
125.02456	100.0
126.02761	3.5
131.05032	1.6
131.43410	1.0
133.03003	4.7
135.04512	2.1
137.01466	1.7
137.02455	20.5
139.03992	3.5
142.48662	1.0
145.02930	2.4
145.06499	1.3
149.02429	5.3
151.04010	11.8
159.04468	2.7
161.02441	30.2
161.06102	3.5
162.03206	2.8
163.00455	2.2
163.03984	2.8
164.01169	4.2
165.01929	4.1
167.03453	1.9
173.06021	1.8
174.03180	1.0
175.04007	11.1
177.01945	5.6
179.03459	4.0
185.05920	1.2
187.04015	8.4
188.04750	3.0
193.04997	1.3
198.32936	1.1
199.04079	1.3
202.06366	1.8
203.03532	2.2
203.07141	9.9
205.01401	1.6
205.05096	8.0
211.03952	2.1
211.85168	1.0
213.05658	1.3
214.02760	1.1
215.03481	2.0
217.05138	2.4
219.02985	1.4
221.08159	1.8
227.03564	1.8
229.05074	4.1
230.05836	1.5
231.03009	1.2
243.03043	2.3
243.06630	1.3
245.04549	4.8
245.08150	11.0
253.05107	1.2
255.02963	10.7
256.03793	5.4
257.04373	1.7
269.04593	2.7
273.04202	4.9
274.10025	1.1
281.04517	3.1
283.02515	2.7
285.03964	2.0
287.05646	8.4
289.07208	63.6
290.07529	2.7
297.03986	1.6
299.05472	4.9
329.06659	2.6
339.08694	4.9
381.09723	3.2
407.07709	58.8
408.08017	4.1
425.08829	19.9
451.10358	10.8
454.06506	0.9
531.90057	1.1
577.13440	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	577.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	11.9
67.76448	2.1
69.05710	11.7
69.06144	7.8
81.03474	4.5
83.01382	7.2
93.03488	4.1
95.01400	2.5
95.05019	3.2
97.02975	4.9
103.89118	2.1
109.02952	25.6
121.02969	7.0
123.04523	14.0
125.02453	100.0
126.02792	3.1
133.02989	4.5
135.04506	3.7
137.02457	23.0
139.04008	4.2
149.02480	8.7
150.03275	4.1
151.04019	26.3
159.04576	3.2
161.02458	25.6
161.06126	3.7
162.03279	4.2
163.00421	4.0
163.04041	5.7
164.01149	8.1
165.01945	4.8
167.03482	3.4
173.06087	2.4
175.04060	13.5
177.01949	8.2
179.03465	5.8
187.04002	6.0
189.05595	8.7
191.03474	3.5
197.05940	2.1
199.03989	2.3
201.05727	3.0
203.07172	7.1
205.05099	6.2
217.05104	3.2
229.05104	3.3
231.06572	3.3
241.05026	3.6
243.03001	3.7
243.06679	4.8
245.04474	4.9
245.08171	10.2
247.06020	2.9
255.03004	6.1
259.06143	6.2
269.04565	7.4
273.04004	3.2
281.04623	4.0
283.02420	2.4
285.04019	2.7
287.05585	30.8
288.06198	2.9
289.07196	54.6
299.05621	5.3
305.06683	3.0
329.06772	5.1
407.07758	33.2
408.07974	3.3
425.08823	13.5
439.10532	6.9
451.10147	7.8
577.13086	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	577.1353
Annotation	Robinetidinol(4alpha-6)catechin
Peak:m/z	Relative Intensity
57.03451	16.9
58.45210	1.0
68.63380	1.2
81.03460	2.4
83.01389	6.1
83.14510	1.1
83.28538	1.0
90.10613	1.1
93.03465	3.8
95.05038	2.0
97.02962	4.4
98.21783	1.9
107.05068	2.0
109.02950	20.0
121.02989	5.4
122.03754	1.9
123.03735	2.0
123.04526	16.1
124.01697	1.4
125.02454	100.0
126.02757	3.0
133.02980	4.1
135.04503	1.6
137.02457	21.6
139.04013	4.0
145.03020	2.0
149.02408	6.2
150.03215	1.3
151.04018	12.1
159.04498	2.5
161.02454	29.0
161.06082	4.5
162.03108	2.8
163.00320	2.1
163.04025	3.9
163.62079	1.0
164.01151	4.9
165.01964	6.2
167.03516	1.6
175.04010	10.1
175.07607	1.6
177.01891	7.2
177.05540	1.5
179.03503	3.6
187.03981	7.0
188.04814	3.9
189.05452	1.2
190.13757	1.2
201.05563	2.5
202.06451	1.2
203.03476	1.7
203.07164	9.2
205.01491	2.1
205.05052	8.5
213.05508	2.3
215.03572	1.9
217.05211	1.3
221.08215	2.3
227.03537	1.3
227.07224	1.9
229.05099	3.3
243.03029	2.4
245.04539	4.8
245.08176	11.9
247.06119	1.1
255.02974	8.9
256.03647	5.6
257.04535	1.9
269.04553	2.2
271.06027	1.2
273.04031	3.5
281.04575	3.6
283.02426	2.0
285.04163	2.3
285.07639	1.1
287.05627	8.3
289.07190	78.2
290.07632	4.1
299.05688	6.0
329.06619	1.6
331.08160	1.3
339.08777	4.1
381.09723	3.6
390.72485	1.2
407.07733	62.4
408.08017	3.4
425.08875	15.7
451.10446	12.7
468.49286	1.2
503.15393	1.4
559.11761	1.5
577.13373	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	13.7
59.01391	1.5
63.57048	0.9
67.01909	0.8
69.32848	2.7
69.33276	2.9
74.12206	0.8
80.27535	0.8
81.03472	2.4
83.01385	3.4
93.03429	1.3
95.05001	1.8
97.02933	2.4
107.05008	1.3
109.02966	17.0
117.03474	1.2
121.02943	3.5
123.04540	10.7
125.02458	100.0
126.02769	2.3
133.02989	4.1
135.04532	1.1
137.01486	1.3
137.02464	19.9
139.04056	1.6
145.02974	1.0
147.04553	1.1
149.02484	4.5
149.03465	0.9
151.04016	10.3
159.04530	2.8
161.02455	25.5
161.06079	3.5
162.03134	2.1
163.00343	1.8
163.04060	2.9
164.01208	4.6
165.01991	4.8
167.03496	1.3
172.72466	0.9
174.18103	0.9
175.03986	6.8
175.07677	1.0
177.01939	4.5
177.05556	1.4
179.03514	3.7
187.04045	4.5
188.04727	2.7
189.05537	1.2
199.03970	1.1
201.05595	1.4
202.06342	1.1
203.07182	7.4
205.01443	2.1
205.05164	4.3
213.05536	1.0
215.03539	1.5
217.04993	1.8
221.08105	1.6
227.03473	1.7
227.07083	2.0
229.05008	3.0
243.03000	3.1
243.06517	1.2
245.04602	3.6
245.08176	9.0
247.06204	1.0
255.03052	5.2
256.03754	4.2
257.04495	1.6
271.06094	1.4
273.04111	4.8
281.04517	2.9
283.02676	1.4
285.03983	1.4
287.05579	6.3
289.07190	55.1
290.07492	3.0
299.05469	5.1
300.05972	1.1
321.07523	1.1
339.08646	1.9
381.09879	2.4
397.05579	2.1
407.07700	38.9
408.08282	4.2
423.11063	1.1
425.08817	13.2
426.09274	0.9
451.10471	6.0
577.13226	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1355
Annotation	Robinetidinol(4alpha-6)catechin
Peak:m/z	Relative Intensity
57.03449	14.2
59.01397	1.4
64.24798	0.9
69.02219	2.5
69.02621	6.0
77.20883	0.9
81.03458	2.5
83.01389	4.4
87.00892	1.1
93.03445	1.3
95.05035	1.9
96.95987	1.1
97.02962	3.1
103.47064	1.0
107.04993	1.6
108.02238	1.0
109.02962	15.4
111.00908	8.1
117.15640	1.0
120.20101	1.1
121.02975	2.4
123.04533	10.8
125.02455	100.0
126.02792	1.3
132.07549	1.0
133.02986	2.5
135.04500	2.7
137.02460	20.5
139.04045	2.4
149.02454	3.5
150.03162	1.6
151.04037	9.4
159.04515	2.5
161.02458	24.9
161.06108	3.5
162.03140	2.2
163.00388	2.4
163.04051	2.9
164.01189	3.8
165.01927	3.6
167.03481	2.0
169.94063	1.1
175.03992	7.6
175.07603	1.1
177.01945	5.1
179.03500	3.0
187.04028	6.6
188.04829	2.5
201.05629	2.5
202.06360	1.1
203.03468	1.1
203.07169	7.7
205.01385	1.5
205.05096	5.0
211.04092	1.1
213.05635	1.6
217.05000	1.8
221.08286	1.4
227.03551	1.0
228.04422	1.3
229.05125	2.2
243.03030	2.5
245.04541	3.7
245.08124	8.7
255.02975	5.6
256.03915	2.4
257.04681	1.8
269.04761	1.5
273.04144	4.7
281.04587	3.9
283.02460	1.8
285.03979	1.8
287.05664	6.8
288.06012	1.2
289.07202	58.4
290.07544	3.2
299.05591	6.5
339.08951	1.9
381.09891	2.5
407.07718	43.6
408.08160	3.3
409.09741	1.3
425.08835	14.6
451.10361	9.6
539.20618	3.0
577.13263	5.3
581.15411	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	14.4
59.01388	6.4
64.81286	1.4
71.01395	3.9
71.28458	1.9
76.31848	1.3
83.01398	4.5
85.02937	1.7
89.02462	3.1
93.03473	2.0
95.05040	1.4
96.96037	2.4
97.02969	3.9
101.02468	3.0
104.13885	1.3
107.05000	2.7
109.02959	17.8
109.05148	1.3
117.75858	1.4
120.99726	1.6
121.03018	3.8
123.04552	13.4
125.02461	100.0
126.02836	3.1
131.05077	1.8
133.02997	2.9
135.04564	3.5
137.02463	22.8
139.04045	5.0
149.02448	5.0
150.03160	1.9
151.04016	12.6
159.04539	1.8
160.05324	1.7
161.02461	23.4
161.06065	1.9
162.03094	1.7
163.00346	1.5
163.04002	3.5
164.01172	4.3
165.01990	5.4
167.98332	1.4
175.04021	10.3
177.01949	3.7
179.03470	3.9
187.04065	4.0
189.05684	1.6
191.03448	2.9
191.07225	4.0
199.03972	1.9
201.05678	1.3
203.07245	6.9
205.01447	1.6
205.05052	5.6
207.06544	1.8
207.58932	1.2
208.07565	1.9
209.08215	10.2
215.07028	1.6
217.04788	1.8
221.08238	2.5
227.03566	1.7
229.05057	2.3
242.99205	1.5
243.06586	2.4
245.00970	3.3
245.04556	2.1
245.08182	7.0
255.02957	5.1
256.03772	2.4
269.04758	2.7
270.98810	4.6
273.00439	3.2
273.04004	2.9
274.01135	2.5
275.01965	4.1
281.04471	2.0
285.04016	2.5
287.05603	13.5
289.07217	55.6
290.07471	3.7
298.98483	3.8
299.05670	3.4
299.99106	5.6
300.99985	7.7
339.08694	1.9
371.13589	10.1
397.05704	8.5
397.09964	1.6
407.07733	37.4
408.08139	3.8
425.08936	10.2
439.10406	1.7
451.10425	8.2
479.05075	1.7
480.05563	7.3
533.18671	2.2
559.27448	1.5
577.13000	12.0
577.20947	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34975	1.6
58.41276	1.3
59.01386	17.6
60.99297	1.4
61.98834	2.7
64.58438	1.3
65.75623	1.5
67.76479	1.5
69.03449	3.0
69.52929	4.7
69.53336	2.9
71.01390	1.7
78.91909	10.7
79.02553	1.3
79.95706	1.6
81.03468	1.8
88.98819	9.9
93.03462	2.7
95.01353	2.8
96.96033	1.6
97.02962	4.5
106.86656	1.4
123.00911	8.2
124.01670	16.7
125.02462	42.8
126.02750	1.6
128.60181	1.4
137.02464	7.1
148.55896	1.7
149.99603	25.0
158.11476	1.5
165.01950	1.8
167.03542	1.4
167.99202	2.6
168.00661	52.6
169.01468	7.2
171.11079	1.4
175.69243	1.6
190.32419	1.4
219.13951	2.6
254.93060	1.4
301.00006	2.6
441.25787	1.6
490.77408	1.7
517.31573	8.0
521.70258	1.6
562.65375	1.7
577.19348	100.0
578.20074	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	577.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87774	1.0
59.01365	2.9
61.98842	6.8
71.01392	6.3
71.28272	1.6
73.02946	1.4
74.26308	1.2
78.98592	5.9
79.95737	7.8
80.96524	60.5
81.03445	1.6
85.00440	10.5
85.02973	1.4
87.00862	2.9
94.98093	14.5
96.96009	1.4
97.02936	1.3
101.02454	2.3
106.98090	3.1
111.23141	1.2
121.02949	3.0
122.97575	4.9
123.29058	1.1
125.02464	3.7
134.97586	3.7
148.99182	5.3
152.98631	6.8
155.36125	1.1
161.02455	2.0
164.98599	9.4
174.98482	1.1
182.99677	2.5
193.05035	2.1
206.99742	2.2
225.00763	12.6
277.21744	2.1
279.23175	3.6
299.04294	3.3
308.94278	1.1
338.10800	1.1
359.55313	1.3
361.39893	1.2
405.70322	1.2
461.04932	1.2
461.11676	1.1
469.32724	1.1
504.31293	1.4
508.80539	1.2
577.26727	100.0
578.27136	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	577.287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.5
57.03447	2.2
58.00592	3.9
59.01382	100.0
61.98841	0.8
71.01386	64.8
72.01709	0.8
72.99310	5.4
73.02959	2.7
75.00828	0.7
83.01408	2.5
83.01838	0.5
85.02956	12.5
87.00871	4.0
88.23219	0.5
89.02451	80.9
90.02802	0.7
93.03452	0.9
95.01408	4.5
96.96011	5.8
97.02989	0.5
99.00871	0.7
101.02451	37.6
101.53394	0.5
108.02160	0.7
109.02953	1.2
110.91732	0.5
111.00838	0.6
113.02459	26.6
118.74648	0.5
119.03508	36.8
123.04526	1.2
125.02455	5.7
127.61316	0.7
131.03511	4.9
133.01471	0.6
133.02939	1.0
137.02422	2.3
143.03493	6.2
145.02885	1.1
149.04556	2.6
151.03998	1.2
161.02528	2.7
161.04567	8.0
164.01091	0.5
165.01933	0.7
169.01375	0.7
179.05620	16.6
201.01572	0.6
208.34050	0.5
225.11264	0.6
229.24310	0.5
245.08029	1.0
253.10591	0.6
271.05893	0.7
289.07138	3.0
297.79785	0.6
300.99606	0.6
305.06836	0.9
367.05969	0.5
370.56570	0.5
397.21939	0.9
415.22992	1.2
425.08423	0.7
539.20648	1.1
577.13342	6.7
577.28729	13.1
578.13916	0.7
578.28717	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18278	1.4
59.01385	100.0
61.98833	10.0
71.29873	2.8
88.98850	1.4
96.96005	1.7
101.70453	1.9
124.59944	1.8
125.51767	1.4
131.55034	1.4
148.30901	1.7
176.19034	1.7
282.08636	1.5
458.54462	1.9
460.56070	1.7
517.31665	18.6
518.31763	2.6
577.34827	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	577.3539
Annotation	Hugonone B
Peak:m/z	Relative Intensity
54.78075	0.6
55.79714	0.8
69.05598	5.1
93.98431	0.8
96.96003	1.2
98.95638	0.9
133.02969	11.2
134.03745	2.1
135.04552	2.7
137.02451	2.2
145.03009	0.8
161.01120	1.7
161.02466	34.5
162.02785	1.2
179.03500	1.6
202.08038	0.7
315.15808	0.7
409.77777	0.8
577.35382	100.0
578.35846	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	578.225
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	15.6
61.66752	2.3
61.98834	20.6
70.49258	3.2
70.49578	3.2
71.01378	3.9
73.02941	2.5
86.47864	2.2
88.98803	4.3
89.02438	2.5
101.02438	6.0
119.05034	6.4
120.05347	3.3
121.06632	3.1
123.04512	3.0
125.02496	4.9
135.04504	14.5
153.01929	5.2
163.04024	47.7
164.03481	5.0
164.04816	73.6
175.07709	5.8
178.06369	12.1
179.07150	81.6
181.14531	2.7
207.06653	4.3
208.07314	6.1
235.06148	5.2
250.08450	6.7
250.77530	2.7
251.09216	7.3
358.26968	3.3
373.16592	100.0
374.16507	4.3
385.14911	5.7
435.98029	2.5
440.31653	2.9
469.22345	2.5
506.35495	3.1
579.24127	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	578.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
61.43629	0.7
61.98835	100.0
68.98955	6.9
78.95909	2.0
79.95750	1.0
79.98478	0.6
80.96524	3.2
84.72526	0.8
86.29829	0.7
91.51596	0.7
114.48682	0.7
152.99673	1.2
196.89568	1.6
284.31760	0.8
319.25589	0.7
458.33231	0.7
578.35425	1.2
579.28448	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	578.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	13.1
61.98820	2.2
70.56699	1.6
71.01375	0.8
78.95911	5.6
79.95764	1.1
80.96507	3.7
94.98058	1.3
97.95561	0.7
152.99614	0.9
168.04329	1.4
185.49565	0.8
199.38412	1.0
225.00673	1.4
242.07944	2.3
279.23294	100.0
280.23630	4.7
314.92496	0.9
504.30951	23.4
505.31088	1.3
578.26221	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	579.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34095	1.2
57.03452	1.4
58.36786	1.3
59.01386	12.6
60.99313	15.1
61.87516	1.3
61.98834	21.5
62.17068	1.2
67.01887	1.4
71.01408	7.2
72.99297	2.5
73.02936	3.6
81.03466	2.1
83.01396	2.2
85.02938	2.8
87.00900	2.0
87.04512	1.7
88.98813	100.0
89.02445	11.3
89.99145	1.4
92.85099	1.3
95.01400	2.6
98.02325	1.5
99.00948	1.9
101.02448	4.3
107.28578	1.5
108.02184	2.8
109.02998	2.4
109.12714	1.2
113.02426	2.8
116.11100	1.3
117.03452	1.9
123.04552	6.7
124.01650	2.4
125.02466	5.8
129.85835	1.2
133.02953	2.5
135.04523	2.7
137.02470	2.8
139.04022	4.3
151.03987	3.1
152.01164	2.9
153.01968	2.2
153.05638	1.5
161.02489	9.9
161.04526	2.5
163.04044	2.1
165.01974	3.6
165.09293	1.4
167.03493	10.0
169.01492	3.8
171.93733	1.3
177.01787	1.5
179.03639	1.6
179.10823	2.1
181.05109	2.7
181.08749	1.4
191.03607	1.7
191.07138	1.4
193.08760	3.2
194.60655	1.2
207.10240	1.7
209.08191	3.6
223.09958	1.6
225.07672	2.9
251.05795	1.3
251.09309	1.5
273.07776	1.7
357.26401	1.8
359.27762	1.5
373.14862	1.6
417.19055	3.3
579.25403	6.0
580.27472	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1511
Annotation	Gambiriin A1
Peak:m/z	Relative Intensity
52.98635	2.6
57.03447	5.6
59.01381	5.3
64.66119	2.6
65.05106	2.2
65.10585	2.4
67.15205	2.4
69.53603	13.5
71.01369	4.0
72.88208	2.4
81.03466	3.2
83.01369	7.2
93.03505	4.0
95.05039	4.4
96.95965	3.4
97.02945	8.2
106.85018	2.8
109.02952	29.6
111.00871	9.7
121.02962	5.2
123.00855	3.1
123.04540	22.9
125.02472	29.8
137.02473	15.2
139.04010	4.2
142.16800	2.7
149.02422	7.6
151.03993	14.1
161.02425	4.5
161.06107	8.5
164.01152	3.7
165.01935	6.9
175.03987	4.8
179.03458	9.5
187.03995	5.6
188.04810	3.7
201.05591	3.1
203.07173	15.2
205.05075	10.3
245.08139	18.5
289.07205	100.0
290.07513	8.8
368.95258	2.8
468.02933	3.1
579.14819	6.4
604.31366	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	579.187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01102	1.4
53.95967	1.5
59.01374	2.7
61.98832	8.3
62.53903	1.5
67.01883	1.9
68.99822	21.0
70.65210	4.2
95.84294	1.6
97.90855	1.6
108.02186	29.8
109.02952	4.8
122.03761	3.9
123.00856	8.8
123.04535	33.7
132.02226	4.2
133.02972	1.7
137.02452	1.9
138.03246	27.1
141.22417	1.6
147.04546	2.3
150.03230	14.6
151.03946	1.7
153.05568	1.8
160.01617	2.7
161.02425	9.4
162.03239	27.5
163.04047	11.3
165.05580	2.3
175.03999	6.7
177.05583	36.7
178.02713	32.1
179.03476	3.5
190.06328	2.1
193.05070	100.0
194.05457	3.7
211.81964	1.6
218.05888	14.7
222.05298	4.6
231.06609	2.4
238.06384	1.9
266.05826	3.8
277.05035	2.1
278.05841	5.8
281.04813	1.8
281.08142	2.0
306.05457	6.8
307.05978	5.0
310.04944	3.1
320.06808	3.4
321.07651	19.6
322.04724	4.5
322.08356	4.3
325.07172	16.2
335.09436	3.1
336.10205	9.4
337.07172	14.9
337.10721	3.6
339.08755	4.9
340.09442	14.6
352.09509	7.0
354.11118	12.1
355.11859	27.3
356.12363	2.3
367.11911	35.7
384.12195	1.7
517.96210	1.6
519.16766	2.8
531.16376	1.8
561.18250	2.2
579.18707	36.7
579.28021	2.3
579.31970	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	579.2086
Annotation	(+)-Syringaresinol O-beta-D-glucoside
Peak:m/z	Relative Intensity
59.01379	10.5
59.26056	0.7
67.44030	0.7
71.01397	6.9
85.02947	1.9
87.00848	1.1
89.02455	8.9
89.47983	0.8
96.96037	8.8
98.22527	2.1
101.02457	3.9
109.02979	2.6
111.00954	0.9
113.02470	2.3
119.03497	2.9
119.05047	1.3
119.43726	0.9
122.69778	0.8
123.00883	4.4
125.02482	1.9
128.88991	0.8
136.01662	4.7
137.02469	10.0
139.00377	1.3
149.06110	1.0
150.03177	0.9
151.00388	20.2
151.04019	8.4
152.01105	2.0
152.04781	2.3
153.01979	1.2
159.04520	1.3
159.66266	0.9
163.03976	1.1
164.04773	1.4
166.02722	55.1
167.03439	3.5
169.01472	1.4
175.03949	1.0
175.07700	1.4
177.01994	2.8
179.05611	1.3
181.05078	77.3
182.05415	2.0
184.03674	1.7
188.04744	1.6
191.03539	1.1
193.05055	1.2
203.07077	1.2
205.08704	1.3
207.06592	1.9
232.01997	0.9
273.84067	0.9
327.12433	2.6
339.12357	6.0
359.11307	1.6
387.10852	18.0
402.13187	7.3
417.15567	100.0
418.15918	8.1
500.14624	0.9
554.05450	0.9
579.21381	1.2
585.45624	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
58.15078	1.1
59.01089	2.1
59.01381	29.6
62.13705	1.1
71.01397	6.6
71.29638	1.0
71.29999	1.1
73.02959	2.7
75.00847	1.0
76.03605	0.9
85.02937	2.6
87.93249	1.1
89.02425	1.9
94.27233	0.9
95.01395	2.1
96.96024	1.6
101.02470	2.8
107.01397	1.9
108.02187	1.4
109.03006	2.0
113.02464	3.1
116.92842	1.3
121.02965	4.9
122.03791	1.4
123.00860	5.4
125.02450	8.3
128.90207	1.8
136.01672	43.7
136.77287	1.0
137.02495	5.2
139.00415	3.1
140.01237	1.6
141.14398	1.2
151.00375	4.8
151.04015	67.3
152.04350	1.6
161.04543	2.5
163.04012	1.9
166.02730	7.2
167.03465	1.3
168.00633	2.3
169.01431	7.8
175.07799	1.4
181.05096	9.5
187.46692	1.0
211.02559	2.2
243.90442	1.2
257.04599	1.6
271.04727	1.2
280.03845	1.2
281.08234	1.8
282.09027	1.9
296.10556	2.0
297.11334	2.7
327.12708	1.2
342.11124	6.5
357.13470	100.0
358.13702	6.2
387.10953	5.5
402.13034	2.6
409.52771	1.0
417.15540	16.6
427.20026	1.6
431.31766	1.1
441.08347	3.4
450.83118	1.2
483.01508	1.1
517.20959	1.7
535.21924	15.9
536.22296	2.9
543.59399	1.0
579.06830	1.7
579.21130	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	579.2093
Annotation	(+)-Syringaresinol O-beta-D-glucoside
Peak:m/z	Relative Intensity
52.56071	0.6
52.91440	0.6
59.01379	3.4
61.98833	3.2
67.01868	1.3
68.13575	0.6
68.99799	0.8
71.01357	0.9
71.29853	0.7
71.30231	0.6
81.11111	0.5
83.01385	2.0
93.03434	1.1
95.01382	2.2
96.96065	0.6
97.02948	0.8
99.00830	0.7
108.02164	1.7
109.02966	1.4
111.00886	6.5
112.98825	1.2
116.92838	0.6
123.00902	9.2
123.04539	1.3
124.01665	2.7
125.02445	3.0
125.99605	1.1
127.00384	4.7
136.04068	4.4
136.98825	4.6
137.02466	2.0
137.99606	0.7
138.03233	7.7
139.00389	24.5
139.03986	2.1
149.02444	0.7
151.04068	0.8
152.01151	2.6
153.01956	5.5
153.05568	5.8
154.02745	3.2
154.99907	0.7
163.07681	0.6
165.05685	0.6
166.02687	0.6
167.03441	0.7
169.01445	1.1
175.03996	0.7
178.02690	0.9
179.03534	0.9
180.04259	0.7
187.47926	0.6
189.05580	2.4
191.03505	1.2
192.04257	1.3
192.22676	0.7
193.05074	3.7
194.05812	0.8
204.07945	1.5
205.05104	2.1
206.05771	3.0
207.06616	2.1
219.10275	1.4
220.07433	1.2
221.08278	3.1
233.04524	1.0
235.06015	1.1
247.06256	0.7
247.23526	0.6
249.07841	1.3
281.91061	0.7
295.08228	0.9
313.05109	0.7
319.63406	0.6
387.10855	2.4
401.12488	0.7
402.13202	7.6
403.13757	0.8
417.15582	100.0
418.15900	8.5
456.62268	0.7
459.16455	1.4
579.20691	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	579.224
Annotation	PS 990
Peak:m/z	Relative Intensity
52.32935	1.5
67.05500	1.8
68.97927	1.9
68.98225	17.7
73.93106	1.6
82.59087	1.6
83.40089	1.5
85.02982	1.7
98.22527	3.9
109.02978	4.1
111.04528	47.0
113.09724	10.2
122.71595	1.9
123.08151	8.0
125.06136	3.3
139.04008	3.3
165.09180	5.8
167.07118	5.1
179.07141	2.8
181.07114	3.8
181.08727	58.1
191.07245	1.8
195.06664	2.0
205.15999	1.8
207.06679	4.3
209.08209	11.4
273.11404	3.2
283.09988	3.4
285.07666	3.6
297.08005	2.0
297.11191	3.1
298.08521	5.4
299.09085	2.3
302.72885	1.7
311.05429	1.8
323.09360	2.0
325.07285	6.5
325.10867	3.0
325.14413	3.9
326.07825	3.5
327.08786	6.2
328.09586	2.6
337.10742	2.7
341.10211	3.2
341.14017	4.1
343.15442	16.8
343.19247	6.4
353.10272	2.8
353.14047	6.7
354.07498	2.6
368.12558	2.3
369.13443	5.0
379.11734	3.6
382.10507	2.0
383.15076	34.9
384.15671	2.2
385.12714	2.7
393.13339	7.8
395.14758	3.1
397.12930	99.4
398.13406	8.4
408.15665	3.0
411.14099	3.5
413.16113	3.0
423.18164	7.0
439.17816	3.2
447.17905	2.8
465.19214	1.8
467.16824	4.2
535.23376	9.9
536.24268	1.7
561.21204	2.9
579.22803	100.0
579.33331	32.1
580.22852	9.5
580.33081	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	579.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.1
61.84549	1.1
68.94003	1.1
68.99816	1.5
78.95924	1.2
87.04521	2.8
95.05054	1.9
104.66946	1.3
109.02979	3.2
109.06601	2.6
111.04529	30.8
113.09737	8.9
123.08177	6.4
125.06100	1.7
139.03992	2.7
158.42134	1.1
165.09218	5.2
166.06244	1.6
167.07185	5.2
175.03964	1.6
179.07147	2.1
181.08713	55.4
181.69911	1.1
182.09081	2.0
183.06575	1.7
197.08141	1.8
207.06659	3.1
209.08203	12.4
223.09686	3.6
227.07333	1.3
229.08698	1.2
233.08224	1.6
238.96906	1.2
256.07477	1.5
259.09857	1.6
273.07730	1.6
273.11218	2.1
281.08249	1.3
283.09897	2.5
285.07706	1.6
285.11380	1.5
295.06113	1.5
297.07816	1.7
298.08432	1.1
299.09256	3.1
299.12643	1.3
309.11328	1.6
309.14819	1.2
325.14474	3.4
326.08072	2.6
327.08755	3.7
327.12378	1.7
328.09564	8.8
337.10733	1.7
341.10361	2.3
341.14105	1.4
342.11017	1.7
343.11923	3.2
343.15518	21.9
343.19241	9.2
351.12457	2.5
353.10309	1.6
353.14041	4.2
354.07306	2.7
355.11938	2.7
369.13367	6.9
379.12073	3.5
382.10516	2.4
383.15112	4.2
385.13019	3.8
393.13336	5.9
395.18799	2.4
397.12903	100.0
398.13376	11.9
407.15097	1.9
408.15872	4.1
409.16617	2.1
411.14413	2.0
413.15942	4.3
423.18088	6.9
439.17648	2.6
441.19229	1.7
447.18103	2.7
465.19565	2.0
467.17010	3.3
491.17157	3.6
521.17914	4.3
535.23553	8.2
561.21033	2.8
564.23676	7.4
579.21930	94.9
580.21814	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	579.245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75464	0.5
56.16167	0.5
59.01382	100.0
60.01721	0.7
61.98832	1.7
67.41505	0.5
68.60722	0.6
69.03276	2.7
69.03697	1.7
71.01390	2.2
73.02974	0.8
83.01383	0.5
84.45528	0.4
85.02950	0.9
85.57269	0.6
87.00903	0.6
89.02464	1.0
97.74181	0.5
101.02458	2.2
108.02212	0.7
113.02455	0.8
121.03014	2.1
122.03722	0.6
123.00889	0.5
123.04545	1.1
125.02484	1.1
137.02470	0.6
139.03992	1.1
145.34398	0.6
147.08202	0.5
160.05341	0.9
161.02400	0.8
161.04626	1.4
163.04053	0.9
164.04823	0.6
165.05650	1.4
165.09253	1.3
167.03523	0.9
168.00642	0.6
175.07613	4.2
176.08452	2.8
178.06372	0.7
191.07182	0.6
191.10834	0.8
209.08189	9.1
209.10023	0.7
297.57642	0.6
303.68683	0.5
320.70450	0.5
327.05481	0.7
342.14758	5.0
357.09784	1.8
357.17087	23.4
358.17554	1.9
383.11679	0.7
509.93445	0.6
580.90283	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	3.9
57.03440	2.8
58.00592	1.9
59.01383	61.2
61.98822	1.7
63.48469	0.8
68.29053	0.9
71.01388	55.2
72.99309	3.9
73.02945	10.4
83.01397	6.3
85.02956	21.2
87.00892	2.2
87.04478	0.8
89.02451	31.6
95.01394	5.3
96.96025	1.1
97.02955	1.1
99.00889	3.9
101.02454	34.3
101.82462	0.9
111.00887	1.6
113.02459	21.3
119.03526	14.9
121.18334	0.8
123.00918	1.0
123.04526	0.9
123.46555	0.6
125.02496	1.3
129.01971	1.7
131.03551	1.1
136.01671	1.7
143.03528	2.6
149.02431	1.0
149.04401	0.9
151.00438	1.2
151.04018	3.1
159.02983	3.1
161.04564	11.5
166.02737	3.8
179.05630	4.4
181.05035	4.3
193.08777	1.6
211.06053	2.1
213.82545	0.9
261.07733	1.7
339.12299	2.1
381.11972	1.5
417.16287	4.3
417.24966	31.3
418.25269	1.5
521.38898	0.8
579.30298	100.0
580.30591	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	579.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.7
57.03447	3.4
58.00595	2.3
58.27464	1.1
59.01384	76.5
69.16664	7.2
71.01388	59.4
72.99309	3.2
73.02958	8.2
78.77760	1.0
81.03486	1.2
83.01392	8.1
85.02962	19.6
87.00887	3.9
89.02454	45.9
95.01403	4.9
96.96044	1.0
98.21815	2.2
99.00902	3.7
101.02454	37.7
109.03003	1.0
111.00906	1.7
113.02454	25.7
119.03507	21.2
125.02471	2.2
129.01976	1.7
131.03499	2.2
143.03513	5.0
159.03014	2.2
161.04564	15.3
177.49506	1.1
179.05621	10.4
209.92934	1.1
417.16275	1.7
417.25012	38.3
418.25305	2.8
505.17609	1.5
579.30316	100.0
580.30841	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	579.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.8
57.03452	2.1
58.00587	4.3
59.01381	100.0
61.98821	5.2
69.24826	10.5
71.01382	68.3
72.60974	1.5
72.99326	5.9
73.02943	10.4
75.00880	1.8
83.01391	6.4
85.02942	17.7
87.00884	5.1
87.04530	1.5
89.02452	62.7
93.03442	2.2
95.01379	6.7
96.96047	1.7
97.02982	1.5
99.00894	4.5
101.02453	50.3
108.02204	3.4
109.02971	3.0
111.00875	3.9
113.02444	27.7
116.92889	7.0
118.04156	1.5
119.03506	34.8
120.99689	2.1
123.00886	2.2
123.04536	3.8
125.02477	6.3
131.03523	5.7
135.04491	6.9
137.02446	2.4
143.03529	6.8
149.02443	7.1
149.04553	3.3
150.03265	1.7
151.00401	1.6
151.04095	2.4
153.02003	2.3
159.03070	2.2
160.05237	1.4
161.02502	1.9
161.04555	11.9
164.04819	15.8
165.01990	2.4
165.05498	1.8
169.01480	3.8
179.03430	1.3
179.04044	2.2
179.05650	24.0
179.07179	12.3
181.05132	1.7
188.04807	2.1
193.04965	2.0
195.06744	1.6
203.07170	2.9
221.06679	2.7
289.07086	2.3
300.99832	1.5
327.13037	2.8
399.23859	1.9
417.24936	19.2
519.24347	1.8
528.44061	1.8
535.18005	1.6
554.95941	1.6
561.23761	2.3
579.22040	5.2
579.30396	80.9
580.30811	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99797	0.7
87.04494	0.5
109.06573	0.5
111.04527	0.9
113.09743	3.6
123.08154	1.5
125.06078	1.6
127.07663	0.8
148.90622	0.5
165.09175	0.9
166.02681	0.8
166.06361	1.1
181.08719	34.8
182.09058	0.9
184.58409	0.5
189.05513	0.7
194.05850	0.6
194.34523	0.6
207.06625	1.1
208.07436	2.3
209.08192	1.4
215.10675	0.9
217.05096	2.6
219.06619	3.0
220.07523	0.7
229.12328	0.9
231.06573	0.7
233.08054	0.9
234.08937	1.5
247.09810	0.6
257.11801	0.5
259.09717	4.3
259.13370	1.3
260.10440	1.7
271.10049	0.5
273.11359	4.9
274.12106	6.0
275.12561	0.6
285.11353	0.6
299.20074	1.6
313.14362	0.8
329.17581	15.0
330.17838	1.6
341.17667	1.3
343.19144	100.0
344.19489	8.0
397.23911	4.0
513.22662	0.5
579.33270	10.0
580.33722	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99812	1.2
81.72700	0.6
92.83080	0.5
113.09730	3.6
123.08148	0.6
125.06081	1.3
127.07634	0.7
137.02422	0.7
166.02708	0.7
166.06322	1.4
167.06998	0.7
177.01781	0.8
178.02661	0.8
181.08717	26.3
189.05609	1.2
194.05853	1.2
195.06517	0.8
198.05420	0.8
207.06667	4.2
208.07352	3.0
215.10684	1.0
217.05168	1.2
217.08826	0.7
219.06644	2.6
221.08208	1.0
229.12233	1.3
231.06520	1.4
233.08131	1.6
234.08963	2.6
240.50502	0.6
245.11932	0.8
247.09827	2.3
257.11661	0.6
259.09756	5.4
259.13422	2.3
273.11331	5.2
274.12106	10.0
275.12680	1.2
299.20190	1.8
306.11288	0.9
329.17682	1.2
343.19150	100.0
344.19534	6.6
397.23807	3.4
434.32428	0.7
579.33423	7.6
580.33228	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.333
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25402	0.5
69.48730	0.7
93.83598	0.7
109.06596	2.1
111.04535	5.5
113.09747	8.7
118.88280	0.7
138.03163	0.7
165.01952	1.0
166.02718	4.8
166.06271	1.1
177.12845	1.8
181.08717	58.9
182.09029	2.1
205.05101	1.4
205.15981	4.6
207.06647	3.1
208.07413	17.7
209.07889	1.3
219.06638	2.2
229.15904	0.8
231.13887	3.0
245.08209	1.0
247.09685	4.3
259.09717	1.4
260.10434	1.9
273.11490	0.7
274.12186	1.3
275.20078	2.3
285.11340	0.9
299.20062	2.7
329.17609	25.1
330.17780	1.5
341.17670	1.0
343.19156	100.0
344.19455	6.9
367.07822	0.7
397.23843	7.9
467.28098	3.1
503.23798	0.7
579.33301	21.1
580.33667	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	580.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	12.8
59.10757	0.8
61.98832	9.4
63.99241	0.8
70.63183	1.7
78.95916	5.7
79.95740	0.9
80.96505	3.3
95.12238	0.8
95.56458	0.8
122.68959	0.8
134.25563	0.7
152.99591	1.8
168.04337	1.6
215.16557	0.9
219.51324	0.9
224.07007	0.8
242.08017	2.0
281.24878	100.0
282.25247	5.4
506.32626	20.0
507.33282	1.6
563.15204	1.0
580.28320	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	581.0788
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85160	1.6
54.19109	1.4
55.63857	1.4
59.01385	100.0
60.99316	16.1
68.06486	1.5
88.98815	92.8
98.21741	4.5
102.54187	1.5
116.92857	2.9
121.02914	1.6
125.02467	2.6
139.00351	1.8
149.02599	1.4
154.02765	1.6
155.26381	1.6
165.01762	1.5
169.01434	2.4
169.05020	2.2
175.03954	3.3
185.16876	1.5
190.06288	2.5
193.01398	1.7
193.05017	3.1
195.06529	1.8
200.85654	1.9
229.42006	2.7
269.08212	10.2
275.11456	1.6
283.02457	2.5
283.09827	3.6
299.09225	7.7
311.09204	10.3
312.99921	2.3
314.11673	15.3
325.10852	1.9
326.11655	9.2
329.13950	50.3
330.14359	2.7
341.14026	27.0
342.14365	2.4
389.16138	11.9
455.98358	1.9
491.08316	3.7
581.14990	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	581.0806
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98811	0.3
70.29557	0.2
71.28524	0.4
72.73907	0.3
79.95742	3.0
83.01348	0.3
89.02477	0.3
95.01431	0.2
96.96019	100.0
107.01373	0.3
109.02972	0.4
123.00920	0.4
123.04546	0.3
125.02442	2.7
137.02419	0.7
139.00316	0.6
140.01111	0.4
144.53192	0.3
151.00377	0.2
151.04015	0.5
154.02719	0.7
167.03481	0.4
167.74016	0.3
168.00639	0.6
169.01463	2.6
175.04077	0.3
177.02010	0.3
183.02913	0.4
214.12215	0.3
228.91190	0.2
266.98553	0.3
285.05716	0.3
289.07196	0.4
291.07571	0.5
291.99060	0.3
313.05609	0.7
419.17282	0.5
483.11447	3.9
484.12125	0.5
521.06165	1.1
553.05444	0.5
581.08197	0.8
581.15430	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.0943
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.9
59.01384	11.1
61.98833	24.5
62.73510	1.0
63.02391	2.3
65.00343	5.5
67.01892	1.0
71.01390	9.9
71.28268	1.6
73.02953	1.4
75.00883	8.1
79.78606	1.2
79.98092	1.1
83.01366	6.4
85.02942	3.6
87.00897	1.2
87.04523	1.6
89.02431	1.3
93.03454	2.5
95.01390	2.5
97.40001	1.0
99.00899	6.4
101.02451	4.2
107.01406	15.0
108.02203	2.4
109.02940	6.1
111.00863	1.9
113.02429	4.4
121.02963	17.9
122.03764	2.2
123.00880	4.9
123.04530	5.2
124.01678	1.9
125.02457	14.1
135.04477	1.9
136.98848	1.2
137.02458	4.3
139.00362	2.4
139.04037	1.9
149.02443	3.0
150.03212	4.5
151.00392	40.3
151.04015	2.0
152.00954	1.9
153.01859	1.6
157.01382	2.3
159.03032	2.1
159.04408	2.0
161.02507	2.3
163.00357	4.5
163.04042	2.6
163.07582	1.4
165.05569	4.0
166.02618	1.2
167.03473	1.8
168.00635	4.9
169.01427	18.9
175.04088	1.7
178.99850	13.2
181.08676	3.2
187.03973	1.4
189.05524	1.8
190.99944	1.6
193.01456	2.4
193.08676	4.3
195.06613	2.9
201.05544	1.5
203.03391	1.0
204.04282	1.3
205.04942	1.5
209.08226	2.8
211.02451	10.8
215.03409	1.5
227.03548	3.4
229.05000	1.8
230.05807	1.1
233.08220	4.6
237.07715	2.7
243.03004	6.8
245.04536	3.0
251.09227	1.2
255.02986	21.8
256.03748	1.4
257.04391	1.4
269.17621	2.2
271.02338	33.7
271.04718	6.0
272.02972	3.7
273.04074	3.1
279.08734	4.5
281.55652	1.2
283.02435	3.6
299.02017	9.2
299.05264	2.0
300.02786	54.3
301.03540	100.0
302.03873	5.2
314.04077	1.2
327.21762	3.0
357.20709	1.4
385.13031	2.1
459.05725	93.3
460.06064	8.9
521.19653	1.4
581.08832	10.2
581.23651	37.1
582.09674	1.4
582.23602	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	581.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.0
59.01384	14.3
61.07488	1.2
61.98833	6.4
69.03439	1.6
71.01384	11.9
71.05016	1.8
71.29841	1.7
72.99313	2.0
73.02950	2.4
79.01870	1.3
83.01383	3.2
85.02944	3.8
87.00886	1.6
89.02441	4.0
93.03457	15.3
95.01385	3.2
96.20376	1.4
101.02437	7.8
107.01403	3.5
107.05038	1.4
108.02168	3.3
109.02953	2.6
111.00848	1.5
113.02433	4.0
121.02953	4.7
123.00907	7.2
123.04528	4.7
124.01625	2.4
125.02454	19.8
133.02916	2.1
134.03748	1.5
135.04538	2.0
136.01669	1.7
137.02458	28.3
139.00349	3.2
139.03992	2.8
145.02959	2.0
149.02480	3.9
149.06126	1.5
149.99571	3.6
151.00377	5.5
151.04060	2.2
152.01164	1.8
153.01945	3.4
161.02477	2.6
163.04039	1.8
164.04788	2.0
165.01939	3.1
167.03433	2.3
167.11951	1.2
168.00658	9.2
169.01430	18.7
169.05037	1.8
177.01982	2.1
179.03503	1.6
179.07155	2.6
179.98857	2.1
180.99561	6.1
181.04967	1.9
193.05109	1.5
195.01176	4.8
196.01996	12.7
199.16005	1.4
207.10149	1.6
209.08209	2.7
211.02446	4.7
211.04337	9.9
223.08182	1.8
225.05646	1.3
227.03569	4.9
241.05083	28.1
242.05432	2.0
253.10840	2.0
255.03004	11.2
256.03815	25.0
257.04102	1.6
259.01968	1.3
269.04550	17.2
270.05350	4.2
271.04544	7.0
271.75824	1.2
281.06702	32.6
284.03271	100.0
285.03815	9.2
298.04825	52.1
299.05606	99.4
300.05936	5.3
313.05750	1.4
320.65286	1.5
331.06583	2.0
384.09857	1.6
443.10034	1.5
485.16595	5.2
493.11853	16.3
494.12271	2.1
521.33160	3.7
581.12927	77.7
581.22278	49.0
581.31879	2.1
582.13232	8.4
582.22729	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.1
61.98827	3.1
71.01382	3.0
71.29465	1.3
71.61226	0.9
79.01920	1.8
83.01352	1.0
85.02975	0.8
87.00861	1.0
89.02451	1.0
93.03468	6.3
97.02986	0.8
101.02467	1.9
108.02185	2.7
109.02975	1.3
113.02470	1.5
121.02930	6.2
123.04494	1.5
124.01723	0.9
125.02491	1.3
132.02130	1.8
137.02452	7.4
139.00415	1.4
139.99411	1.2
149.02496	4.0
152.01184	1.7
153.01944	1.1
161.04614	0.9
163.04037	1.1
165.01955	5.1
169.01450	0.9
169.05003	1.0
177.01981	1.9
179.06976	0.9
188.28979	0.8
193.08745	2.3
197.06142	1.3
207.10287	1.6
225.05595	3.3
241.05095	42.3
242.05602	1.6
243.06711	2.6
253.05090	1.2
253.10849	3.9
253.13490	0.9
255.03023	3.2
265.47058	0.8
269.04565	74.3
270.05206	9.1
271.05911	2.4
283.06140	1.0
297.04028	1.4
298.04840	95.0
299.05569	34.3
299.99225	1.3
300.06097	1.7
331.10083	1.8
461.10580	1.2
521.33746	1.1
581.13080	100.0
581.22894	5.6
582.13416	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	3.5
57.03444	2.8
58.00584	3.8
59.01099	3.6
59.01383	61.1
61.98819	2.7
62.28287	2.2
65.62153	2.3
67.03669	2.0
69.09537	16.6
71.01389	56.8
72.99296	4.0
73.02946	14.7
75.00877	2.7
78.91880	4.1
82.63055	1.9
83.01373	7.4
85.02957	20.8
87.00871	9.1
89.02457	28.7
93.03465	6.0
95.01398	5.0
96.96017	3.8
97.02959	2.5
98.22511	5.2
99.00879	7.8
99.92603	4.1
101.02451	41.7
108.02172	9.7
109.02955	7.8
111.00887	10.4
112.54433	2.4
113.02467	26.6
115.00391	3.1
115.92084	4.4
119.03506	14.3
119.05021	13.1
121.02936	4.4
123.00902	8.8
123.04565	3.0
124.01672	2.7
125.02455	9.3
133.01425	7.4
135.04507	13.7
137.02466	6.9
138.03258	2.4
139.03993	8.9
148.05342	10.9
149.02443	29.6
151.00372	5.1
151.04001	4.4
152.01163	4.9
153.01974	3.1
153.05611	3.5
161.02324	2.9
161.04546	8.5
163.04013	20.7
163.07660	8.5
164.04811	96.3
165.01938	3.1
165.05469	4.0
166.02710	3.6
169.01425	10.5
174.01648	4.4
176.04840	2.4
179.03548	3.1
179.05629	4.0
179.07121	58.9
181.05081	4.5
190.02686	4.4
191.03531	5.2
193.08705	3.1
194.05838	6.3
195.06630	4.9
205.05078	9.7
206.05809	2.4
209.08122	3.8
211.02347	3.3
219.06595	3.0
221.08200	4.8
253.11009	2.6
257.21271	3.0
262.04843	5.3
264.06415	2.9
265.07132	6.5
268.16925	2.3
271.04556	3.7
277.07150	11.5
281.41742	2.4
319.08191	6.7
337.09268	19.8
359.40701	2.6
419.26556	56.6
420.26889	3.3
445.15128	23.7
457.15256	4.6
475.15060	2.7
496.14304	2.4
507.14801	2.5
563.17285	6.3
581.18884	61.7
581.31659	100.0
582.19257	4.9
582.32214	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	3.5
57.03444	2.8
58.00584	3.8
59.01099	3.6
59.01383	61.1
61.98819	2.7
62.28287	2.2
65.62153	2.3
67.03669	2.0
69.09537	16.6
71.01389	56.8
72.99296	4.0
73.02946	14.7
75.00877	2.7
78.91880	4.1
82.63055	1.9
83.01373	7.4
85.02957	20.8
87.00871	9.1
89.02457	28.7
93.03465	6.0
95.01398	5.0
96.96017	3.8
97.02959	2.5
98.22511	5.2
99.00879	7.8
99.92603	4.1
101.02451	41.7
108.02172	9.7
109.02955	7.8
111.00887	10.4
112.54433	2.4
113.02467	26.6
115.00391	3.1
115.92084	4.4
119.03506	14.3
119.05021	13.1
121.02936	4.4
123.00902	8.8
123.04565	3.0
124.01672	2.7
125.02455	9.3
133.01425	7.4
135.04507	13.7
137.02466	6.9
138.03258	2.4
139.03993	8.9
148.05342	10.9
149.02443	29.6
151.00372	5.1
151.04001	4.4
152.01163	4.9
153.01974	3.1
153.05611	3.5
161.02324	2.9
161.04546	8.5
163.04013	20.7
163.07660	8.5
164.04811	96.3
165.01938	3.1
165.05469	4.0
166.02710	3.6
169.01425	10.5
174.01648	4.4
176.04840	2.4
179.03548	3.1
179.05629	4.0
179.07121	58.9
181.05081	4.5
190.02686	4.4
191.03531	5.2
193.08705	3.1
194.05838	6.3
195.06630	4.9
205.05078	9.7
206.05809	2.4
209.08122	3.8
211.02347	3.3
219.06595	3.0
221.08200	4.8
253.11009	2.6
257.21271	3.0
262.04843	5.3
264.06415	2.9
265.07132	6.5
268.16925	2.3
271.04556	3.7
277.07150	11.5
281.41742	2.4
319.08191	6.7
337.09268	19.8
359.40701	2.6
419.26556	56.6
420.26889	3.3
445.15128	23.7
457.15256	4.6
475.15060	2.7
496.14304	2.4
507.14801	2.5
563.17285	6.3
581.18884	61.7
581.31659	100.0
582.19257	4.9
582.32214	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12115	0.4
55.44804	0.4
59.01090	0.8
59.01379	12.3
61.98832	3.1
66.23002	0.4
69.03442	0.6
69.11445	3.2
71.01389	7.6
72.99310	0.6
73.03405	0.4
75.00846	0.5
83.01379	0.7
85.02954	1.6
85.44400	0.4
88.80628	0.4
88.98814	1.1
89.02452	7.3
95.01395	0.6
98.22610	1.0
99.04530	1.0
101.02456	5.0
107.01399	3.6
109.02948	0.6
111.00877	2.7
113.02447	3.1
119.03521	3.8
121.02983	0.5
123.00889	1.9
124.01693	1.9
125.02457	23.6
127.00401	1.2
136.98810	1.3
137.02451	0.7
139.00380	3.3
139.03999	0.8
140.01189	3.6
143.03482	0.8
151.00369	2.1
153.01921	0.7
161.04640	0.6
161.13382	2.7
165.01949	0.9
166.02475	0.5
167.03494	2.4
168.00650	13.1
169.01443	32.4
170.01707	0.7
179.05563	2.6
194.53929	0.4
205.12337	4.6
209.08234	0.8
211.02493	54.3
212.02884	1.4
235.81584	0.5
241.03471	1.1
249.11320	1.9
271.04605	100.0
272.04922	3.0
284.28378	0.6
313.05643	0.6
331.06720	19.6
332.06778	0.6
385.18796	2.1
429.17764	1.5
537.19812	19.0
538.19922	1.1
581.18658	12.3
582.19061	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	2.9
60.71926	0.7
61.98836	6.4
69.00869	1.7
69.01279	5.2
71.01389	0.9
85.02929	0.9
86.02610	0.8
90.85476	0.8
93.03468	3.3
96.96037	0.9
105.03461	1.1
108.02174	1.3
109.02992	1.1
109.98061	0.7
112.12139	0.8
119.04993	1.4
121.02966	8.3
122.03750	17.3
123.00867	1.9
123.04456	1.0
124.01672	1.5
125.02454	3.4
133.02977	1.6
136.01651	1.3
137.02408	2.6
140.02275	0.8
147.04515	3.0
149.01282	1.6
149.02452	26.9
150.03238	100.0
151.00400	0.9
151.03653	2.6
162.03204	1.2
164.04774	5.4
165.05579	93.0
166.05913	2.0
167.03484	0.9
168.00645	2.0
169.01476	1.8
175.02521	1.4
175.04021	19.0
176.04701	1.8
177.05547	1.9
180.04285	6.7
181.04994	1.4
188.04781	1.6
190.06363	4.8
195.06636	49.0
208.03615	0.9
210.06740	1.2
218.05870	7.4
222.05251	7.9
225.05659	1.0
236.04814	1.0
237.05553	1.6
238.06328	0.9
241.05016	1.3
249.05392	1.0
250.06317	1.2
253.05106	1.2
254.05844	2.0
257.04474	1.0
264.04053	1.1
265.04974	1.7
266.05829	3.1
269.08115	1.0
270.98920	1.1
278.05829	7.4
279.06558	2.0
281.04578	3.6
281.08206	2.5
282.05246	2.2
292.07339	1.1
293.04669	1.3
294.05334	2.4
295.06116	1.2
295.09662	1.3
297.07782	1.2
298.98358	1.1
299.99051	5.1
301.79208	0.9
306.05472	6.2
307.06210	5.5
309.03976	3.3
309.07617	2.2
310.04825	3.1
311.05438	0.9
315.01523	5.6
320.06863	2.0
321.07687	15.8
322.04849	1.3
322.08328	3.9
323.05930	1.2
323.09280	8.2
324.06326	6.6
324.09967	2.7
325.07153	14.5
325.10672	1.6
326.07770	3.0
335.09323	2.0
336.10104	6.7
337.07156	11.8
337.10831	3.2
338.07523	1.1
339.08734	11.0
339.12457	1.6
340.09485	10.5
341.10236	2.9
352.09647	4.3
354.11133	9.0
355.11865	25.4
356.11993	1.8
367.11871	40.1
368.12271	3.4
459.14502	1.1
473.12607	2.1
488.14713	1.8
489.15567	1.5
503.17166	20.5
504.17804	1.1
515.16956	2.4
533.18188	26.1
534.18591	2.2
551.19244	15.4
552.19507	1.0
563.21417	7.1
581.09521	2.6
581.20300	20.7
582.20227	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	581.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85410	1.0
54.29102	1.0
55.34338	1.0
58.60107	1.2
59.01377	3.6
61.98832	10.8
69.09462	9.7
77.75703	1.3
85.02972	1.3
93.03481	5.2
96.96023	2.2
111.00839	1.6
116.92896	1.4
119.05096	1.3
121.02952	3.8
122.03775	12.7
123.00791	1.3
123.04543	3.3
124.01665	1.9
130.28421	1.4
133.25160	1.4
136.01659	1.5
137.02417	1.7
139.00362	2.6
142.04594	1.3
147.04503	1.7
149.02460	21.7
150.03238	99.9
151.03639	1.6
152.01041	1.3
152.59645	1.2
154.02763	3.1
162.03270	1.7
164.04807	4.8
165.05585	100.0
166.05911	2.5
169.05128	2.2
175.04004	13.0
177.05574	2.6
180.04289	8.6
190.06357	3.7
195.06654	48.9
196.06998	1.4
218.05865	6.9
219.06398	1.4
222.05348	5.7
238.06325	1.9
241.05048	2.2
250.06462	1.2
266.05902	2.6
269.08249	1.5
278.05688	6.5
281.04572	1.5
281.08310	1.9
282.05374	2.5
294.05429	1.4
297.07776	2.3
306.05338	5.7
306.08499	1.3
307.06015	4.2
309.03934	1.8
309.07501	2.2
310.04944	4.2
320.07028	1.6
321.07684	17.3
322.04984	1.7
322.08530	4.7
323.08813	1.4
324.06354	3.2
325.07211	12.6
335.09338	2.6
336.09970	8.7
337.07239	15.5
337.10834	2.8
339.08777	5.4
340.09598	6.4
351.08685	1.7
352.09497	4.9
354.11084	4.3
355.07779	2.6
355.11887	32.5
356.12088	1.7
367.07312	2.3
367.11868	39.3
368.12070	2.6
503.17099	1.9
514.72607	1.3
530.01941	1.2
551.19330	5.6
581.20294	16.0
589.00189	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70266	1.2
51.48172	1.3
57.03449	2.0
59.01381	100.0
59.17752	1.3
60.99307	3.2
61.98837	2.9
62.00778	1.2
71.01375	8.2
72.89393	1.3
73.02951	2.4
74.65323	1.3
75.00877	2.9
83.43307	1.6
85.02956	3.4
87.00886	5.1
88.98801	11.7
89.02440	7.0
93.03457	4.5
99.00871	1.9
101.02458	6.2
108.02180	3.8
109.02944	3.9
111.00897	4.7
113.02454	2.6
116.92869	5.2
119.03476	2.0
119.05040	3.0
120.99667	1.9
121.02991	1.6
123.00875	4.0
123.04565	2.8
124.76088	1.3
125.02486	6.9
134.03737	3.9
135.03041	3.0
135.04498	3.6
135.98328	1.6
136.01678	2.4
137.02469	7.9
139.00337	2.0
139.04030	3.6
145.02983	4.4
147.04541	3.5
149.02457	11.2
150.03119	1.7
151.00449	1.7
151.03993	7.5
152.01183	2.3
152.04703	1.7
153.01945	4.7
160.01649	3.4
161.02466	6.0
161.04552	1.8
162.03293	3.3
163.04008	7.0
164.04802	12.1
165.01976	1.8
165.05490	2.0
166.18282	1.5
167.01736	3.0
167.03482	1.6
169.01421	5.3
174.03284	1.8
175.00444	3.3
175.03954	10.6
176.04588	2.0
177.01961	3.3
177.05528	2.5
179.03609	2.0
179.07121	4.8
180.04308	3.9
188.04803	2.3
189.05530	4.1
190.02737	8.3
190.06390	10.8
191.03455	2.0
191.07146	9.3
193.05005	7.0
194.05782	2.8
195.06648	2.3
205.05109	7.0
205.08667	11.2
206.05794	1.8
207.06564	3.7
208.07399	5.9
223.06091	4.4
227.12953	2.9
265.07120	7.4
269.08188	5.3
269.13977	2.1
283.09708	2.2
287.15015	2.7
295.08401	1.7
299.09238	4.9
300.09616	1.8
311.09250	6.2
312.28015	1.7
314.11682	9.9
325.09467	2.8
326.11655	6.6
329.13925	37.9
330.14276	2.6
341.13980	21.8
359.15063	4.2
374.13690	2.7
389.16086	60.9
390.16406	5.6
405.10461	3.7
419.17419	2.5
445.15103	3.1
449.20407	2.9
563.17700	4.6
581.15845	4.9
581.24664	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	581.2243
Annotation	CHEMBL1813181
Peak:m/z	Relative Intensity
50.19197	0.7
52.28132	0.7
59.01383	4.5
61.98814	0.8
66.75897	0.7
67.01889	1.4
69.90707	1.3
69.91100	1.8
71.01384	5.3
72.99288	1.3
73.02958	1.5
79.01900	1.1
83.01357	1.1
85.02937	2.4
89.02452	0.9
94.98089	3.7
95.01391	2.4
97.02997	1.2
101.02448	2.7
107.01395	5.1
111.00874	4.4
113.02469	1.7
117.88094	0.7
123.00890	19.9
124.01669	2.4
125.02461	19.2
127.00352	2.0
136.98795	3.9
137.02455	1.1
139.00403	10.0
139.04005	1.3
140.01186	5.9
141.01936	2.7
149.02434	1.0
150.03249	2.2
151.00375	12.3
151.04028	1.1
165.05603	2.3
166.99893	2.0
168.00647	11.0
169.01433	20.3
171.71269	0.8
177.02019	0.8
183.02992	3.3
195.06601	1.3
211.02504	4.5
271.04651	2.2
297.06174	1.1
313.05466	1.1
397.18622	3.2
467.19464	0.8
477.17722	1.4
519.18536	10.1
531.18835	3.3
551.21393	10.5
563.21368	100.0
564.21613	10.7
581.22223	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	581.2249
Annotation	CHEMBL1813181
Peak:m/z	Relative Intensity
51.86001	0.4
55.01882	0.8
55.95563	0.3
57.03448	0.8
59.01383	3.5
61.98840	2.8
65.00306	0.6
67.01892	1.0
68.99804	0.5
69.03462	0.9
71.01391	5.2
71.28948	0.4
71.29353	0.4
72.99314	1.1
73.02962	1.3
79.01899	1.8
83.01402	2.1
85.02980	2.7
87.00888	0.9
89.02451	0.9
95.01395	2.4
97.02956	1.1
99.00905	0.7
101.02451	3.0
107.01408	6.3
108.02200	3.4
109.02969	2.2
110.00090	0.4
111.00892	4.4
113.02494	1.7
121.02930	0.4
123.00903	19.6
123.04539	1.2
124.01655	1.7
125.02465	18.8
125.03181	0.3
127.00370	2.0
135.87785	0.3
136.98849	2.6
137.02440	1.0
139.00388	8.0
139.04022	1.9
140.01192	5.4
141.01944	2.7
149.02419	0.6
150.03224	0.6
151.00377	9.7
151.04002	0.9
152.01170	4.4
153.01921	1.8
154.99884	0.5
165.01962	0.5
165.05577	0.6
166.52264	0.3
166.99817	1.8
167.03508	7.7
168.00664	10.3
169.01436	22.6
175.03943	0.5
179.03447	0.4
181.05148	0.5
183.02992	3.3
191.55389	0.4
209.04501	0.5
211.02484	2.7
271.04550	1.9
297.06284	1.2
302.52435	0.4
310.04770	0.4
313.05618	1.3
397.18756	3.2
477.17709	1.2
504.17349	0.4
505.21039	0.5
519.18500	9.2
520.19470	0.9
531.18878	2.8
535.17151	0.4
549.20258	0.4
551.21344	9.2
551.29309	0.7
552.21875	0.7
563.21362	100.0
564.21704	11.2
569.11145	0.4
581.22327	5.9
582.23193	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97300	3.6
57.65932	3.5
59.01386	32.6
61.98834	10.1
68.22588	3.6
69.18071	3.6
69.22659	3.9
71.01385	27.7
71.28696	4.6
72.99319	3.8
79.95742	9.7
89.02455	27.7
96.96021	49.9
99.92581	21.4
101.02458	10.1
102.60056	4.4
108.02191	17.2
109.02977	11.5
113.02445	9.4
115.92062	6.3
116.92872	100.0
117.92876	5.4
119.03498	15.1
123.00883	6.8
123.04549	4.7
125.02444	26.7
137.02435	7.3
139.04054	6.1
143.72955	4.8
150.03252	5.7
151.04008	6.8
152.01114	14.7
153.01930	4.9
169.01440	15.4
175.04022	4.6
179.05634	6.2
191.28621	4.5
209.08174	10.9
211.02449	8.3
234.61279	3.8
271.04681	9.7
273.37122	4.9
273.40060	4.0
283.09756	11.0
289.07382	4.4
311.09341	20.5
326.11670	11.1
341.13995	15.0
397.17105	5.0
421.09235	4.4
429.08157	9.9
499.12753	6.8
501.24042	5.0
516.84613	4.6
569.89923	5.8
581.22772	32.9
584.21191	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	581.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.2
55.86402	0.7
56.71740	0.7
57.03438	2.6
58.00588	1.1
59.01383	40.2
61.98840	1.0
67.01889	1.1
68.99809	1.0
69.03436	1.2
71.01387	34.5
71.04970	0.7
71.12359	0.7
72.99325	4.2
73.02941	5.8
75.00869	2.2
76.25417	0.7
79.01885	1.8
81.03487	0.7
83.01396	4.7
85.02962	14.4
85.56334	0.6
87.00875	4.9
89.02449	20.2
93.03475	0.9
95.01377	4.5
96.96021	16.4
97.02971	1.5
98.21799	1.6
99.00896	3.3
99.04527	1.8
101.02452	21.4
107.01392	6.9
108.02193	1.5
109.02945	2.9
109.55963	0.6
111.00906	5.7
113.02448	10.3
113.06103	0.9
118.13542	0.7
119.03507	6.8
121.02943	1.1
123.00897	19.0
124.01679	1.9
125.02457	30.6
127.00462	1.0
135.03012	3.4
135.04512	2.4
136.98845	1.6
137.02437	2.5
138.03230	1.2
139.00372	6.3
139.03946	0.9
140.01158	3.3
141.01915	2.3
143.03488	1.8
147.04475	0.7
149.02428	4.3
151.00378	13.0
151.03961	0.7
152.01109	2.1
153.01898	1.8
159.03043	1.4
161.02507	0.8
161.04535	4.2
163.04024	1.5
164.04817	7.6
165.01942	1.0
165.05534	1.2
166.02702	1.1
166.99733	0.7
167.03568	1.7
168.00647	7.9
169.01433	44.4
170.01823	1.1
175.00368	0.7
175.04063	0.7
179.03487	0.9
179.05673	1.3
179.07098	5.2
181.05058	1.6
190.02733	2.0
191.03529	1.6
193.01480	1.0
193.05093	0.8
205.05067	2.4
211.02480	18.8
223.02338	0.8
223.06116	0.9
237.66284	0.7
271.04642	21.1
272.04950	1.3
313.05692	5.2
331.06659	2.0
337.09384	1.4
367.10629	1.3
401.16254	1.0
402.09103	0.7
419.26523	12.5
420.26941	1.5
445.14877	2.2
483.07736	1.8
485.16653	24.1
486.16977	1.0
507.15546	1.0
550.24872	0.8
581.22192	100.0
581.31732	85.8
582.22418	10.6
582.32172	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.0
59.01384	3.9
61.98836	0.9
66.57637	0.6
66.95920	2.6
69.24628	4.2
71.01394	3.8
71.31458	0.7
71.56216	0.6
73.49552	0.6
77.74025	0.5
82.95425	100.0
84.86123	0.6
85.02956	0.9
89.02447	2.0
101.02458	2.6
102.35635	0.6
103.92294	0.7
105.17700	0.7
106.75156	0.7
107.01393	1.3
109.02891	0.7
111.00983	0.7
113.02483	1.1
119.03503	0.6
123.00902	2.0
125.02478	6.0
137.02466	1.8
138.03258	2.6
139.00394	1.1
139.04018	1.1
140.01201	0.8
140.24129	0.6
145.47685	0.7
151.00410	1.0
151.04031	0.8
153.01981	1.9
153.05602	1.5
167.03539	0.6
168.04301	0.8
169.01434	5.7
175.03957	1.3
179.03563	0.7
180.04283	0.8
181.05078	0.9
249.04066	1.0
289.07504	0.8
301.00027	0.8
358.10522	0.8
359.11374	1.4
371.11453	1.1
373.13138	1.8
389.16251	2.8
405.15552	0.8
419.12631	1.1
419.17255	2.9
497.12900	5.9
499.13626	2.0
512.52936	0.6
581.14136	1.6
581.22601	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.9
59.01379	6.6
64.30713	1.8
66.74399	1.9
69.08553	2.3
71.01392	10.1
76.54218	1.9
78.98587	7.7
79.95739	9.0
80.96039	4.4
80.96519	80.2
85.02956	17.6
85.06612	3.5
87.00923	2.3
94.98082	17.4
95.01387	2.3
95.05020	12.2
106.98120	4.3
111.04527	34.6
111.08136	2.1
113.02457	4.0
113.06088	4.4
122.97627	3.9
125.02460	4.5
125.06131	2.0
134.97585	7.5
136.99223	3.0
139.03929	2.5
148.99115	8.0
152.98634	7.5
155.07137	6.3
164.98634	14.8
165.09224	8.8
176.10635	2.0
179.07146	2.7
181.08694	6.0
183.06628	75.7
206.99709	4.9
207.06635	3.8
209.08223	28.1
225.00740	19.8
225.07668	3.5
248.06813	11.2
266.37668	1.9
273.07651	2.6
281.25040	2.3
287.12552	2.4
299.04529	4.6
299.09384	4.3
299.12778	3.9
309.11179	2.9
311.12418	2.9
327.12344	3.0
339.25549	2.2
345.17044	8.2
353.14023	3.2
355.15240	2.7
369.13315	5.2
371.14984	3.9
397.16608	5.7
411.14670	6.6
413.12317	10.3
437.16034	2.4
440.07224	2.0
456.14270	16.2
469.19092	2.6
483.16794	3.9
488.67505	2.5
493.18991	4.2
523.23260	5.4
535.23328	2.3
563.23077	4.2
581.23645	97.9
581.30261	100.0
582.24200	10.6
582.31342	5.8
588.91339	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	5.8
59.92492	1.0
60.04614	1.0
71.01381	9.3
73.02948	1.6
78.98590	6.9
79.95736	10.9
80.26291	1.0
80.96520	72.3
81.03434	1.8
85.02956	17.3
85.06584	1.5
87.00905	2.3
87.04532	1.8
94.98090	17.9
95.05026	9.9
97.02942	1.7
99.00913	1.2
101.02445	2.8
106.98096	3.5
111.04529	19.6
111.08161	2.5
113.02451	4.7
113.06129	3.8
122.97632	4.8
123.08160	1.7
125.02486	3.8
125.06113	2.2
134.97591	5.9
137.06180	1.0
139.04021	2.9
148.99146	6.6
152.98624	7.9
155.07117	4.8
164.98630	12.8
165.09296	3.3
166.06458	1.2
166.07924	1.1
179.07141	1.7
179.10823	1.7
181.05138	1.2
181.08728	4.6
183.06635	76.0
184.06929	2.5
187.07538	1.0
195.06625	1.6
206.99731	3.0
207.06618	3.6
209.08183	15.9
217.05194	1.3
221.08186	1.3
223.09802	6.8
225.00722	17.8
225.07645	2.1
229.05206	2.2
233.08185	1.3
236.86006	0.9
239.07074	1.2
248.06940	2.1
259.09769	4.2
271.09619	2.0
273.07718	2.8
273.11206	1.1
273.77014	1.1
279.77490	1.1
281.24979	2.3
283.09885	2.1
298.08447	1.4
299.04575	3.3
299.09253	11.1
300.09692	1.3
327.08908	1.2
327.12436	1.9
343.11960	1.5
343.19427	1.2
345.09543	1.1
345.13373	1.9
345.17087	4.7
355.15808	1.7
357.17065	2.4
367.11734	1.5
371.11191	6.7
371.15164	1.3
397.16559	3.2
399.14410	1.1
411.14267	5.7
421.12234	1.3
425.20029	1.7
465.15735	2.4
483.16437	4.8
523.23346	3.9
537.24530	1.6
563.22717	1.5
581.23499	58.2
581.30200	100.0
582.23810	7.1
582.31964	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	581.2992
Annotation	15-epi-lupulin B
Peak:m/z	Relative Intensity
50.33724	0.5
57.03458	1.2
59.01384	1.7
63.96235	0.9
71.01386	6.0
71.28323	0.9
73.02967	0.7
77.15413	0.5
78.98609	6.2
79.95741	8.8
79.96172	0.8
80.96522	59.5
81.03452	0.7
82.59216	0.5
84.10560	0.6
85.02940	3.8
87.00874	2.7
94.98096	16.3
95.05049	1.5
96.96021	1.2
97.02986	2.1
99.00880	1.0
101.02459	1.7
101.08090	0.5
106.98074	2.7
111.04521	3.7
113.02480	0.7
113.06110	0.6
122.97617	2.5
125.02473	2.2
127.04015	0.9
134.97595	4.2
136.99161	1.0
138.37744	0.7
139.04105	0.6
148.99176	5.4
152.98642	4.9
155.07219	1.0
164.98639	10.5
165.09184	0.9
181.08833	0.7
183.06638	9.4
184.07257	0.6
206.99742	2.7
209.08205	4.8
223.09882	0.9
225.00752	13.2
281.24997	2.2
299.04514	2.8
299.09219	1.3
345.17264	1.9
371.11392	1.0
411.14706	1.6
483.16724	0.6
523.22900	2.7
563.23004	1.0
581.30469	100.0
582.30853	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	581.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69303	0.6
54.52402	0.5
55.20386	0.5
56.10691	0.5
57.03416	0.5
62.65686	0.5
76.37331	0.5
85.06565	2.2
89.04723	0.5
95.05029	2.7
97.02949	1.1
107.08638	0.7
109.06622	3.1
111.04508	5.9
113.09721	3.2
123.08177	0.9
124.01665	1.2
125.02445	0.6
127.07616	0.5
137.02415	0.9
140.65218	0.6
149.02451	0.6
151.07639	3.5
152.01178	1.2
153.05576	1.2
163.07603	0.6
165.09230	5.5
173.09744	1.0
181.08717	20.8
182.09064	0.9
189.12885	2.1
191.06990	0.6
191.10838	2.8
194.05807	1.2
195.06645	10.1
205.05099	1.2
207.06657	4.4
209.08235	3.8
210.05374	1.5
219.06638	14.0
220.07423	1.0
221.08212	0.8
231.06503	0.6
231.13870	1.1
233.11838	6.9
233.15402	0.7
235.06033	0.8
245.08238	1.4
257.11804	0.7
259.09659	0.9
273.11359	1.9
275.12912	6.6
287.12915	3.2
301.18079	1.3
302.18356	0.6
315.16092	0.8
327.15924	2.3
345.17075	100.0
346.17422	5.2
346.21185	0.9
359.18692	0.7
399.21573	5.5
463.35507	0.7
472.23636	0.5
534.22308	0.7
581.31226	22.7
582.31476	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	581.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.3
57.03446	2.2
58.00581	1.6
59.01383	40.3
61.98827	1.3
71.01385	28.7
72.99309	1.8
73.02946	4.7
73.16085	0.5
83.01386	4.8
85.02955	11.1
87.00885	1.9
89.02449	17.0
95.01396	3.1
97.02975	0.8
99.00887	2.6
101.02451	21.3
107.02483	0.6
108.02203	0.9
111.00889	1.6
113.02463	10.4
116.92876	1.0
119.03512	6.2
123.04569	0.5
125.02457	2.9
129.01970	0.9
143.03490	1.1
152.01173	0.8
159.03000	1.6
161.04565	3.3
168.02872	0.5
169.01456	2.1
179.05594	0.8
211.02461	0.6
229.24213	0.6
257.21375	0.9
271.04630	0.9
359.15131	0.8
365.47678	0.5
419.26547	16.4
420.26767	0.9
581.31793	100.0
582.32257	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	581.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.1
57.03444	2.0
57.28410	0.6
58.00589	1.7
59.01385	40.7
61.98812	1.3
66.29628	0.8
71.01388	31.9
71.28494	1.2
72.99312	3.4
73.02948	7.2
75.00835	1.0
78.14368	0.6
79.01890	0.7
83.01402	5.8
85.02952	11.9
87.00875	4.5
89.02451	18.9
89.44529	0.7
95.01400	3.9
96.96025	5.7
97.02962	1.2
99.00900	3.6
99.04512	1.2
101.02451	22.4
107.01379	3.9
108.02203	1.1
109.02980	2.1
111.00885	6.6
113.02454	13.3
116.92866	1.4
118.29826	0.7
119.02735	1.3
119.03503	6.9
119.05041	1.0
123.00893	10.5
124.01646	1.6
124.10770	0.8
125.02461	16.0
131.03488	1.3
135.04500	2.8
137.02469	1.3
138.03223	1.7
139.00377	2.9
140.01170	1.7
141.01979	1.8
143.03510	1.3
149.02455	4.7
151.00392	6.0
151.03972	0.9
152.01134	2.0
153.01878	1.9
153.05472	0.8
159.02995	1.6
161.02467	1.1
161.04555	4.0
163.04039	1.9
164.03493	1.3
164.04808	15.1
165.01944	0.9
165.05437	1.5
168.00679	3.9
169.01434	19.8
173.00865	0.9
176.01141	1.1
179.05704	1.6
179.07135	8.9
180.07652	0.7
181.04970	1.1
190.02643	2.0
191.03520	1.8
193.01447	0.9
193.05031	0.8
205.05077	2.5
207.09834	0.8
211.02466	10.2
212.02773	0.7
221.08253	0.8
271.04620	10.6
272.05109	0.8
277.07156	1.8
313.05740	1.7
337.09390	2.7
366.17435	0.7
381.19916	0.7
401.16043	1.8
419.26550	14.3
420.26797	1.3
445.15128	2.8
483.07904	2.3
485.16599	10.9
486.16873	0.9
507.15335	1.7
563.17584	1.2
581.22186	49.8
581.31720	100.0
582.22400	5.4
582.32050	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	581.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37121	0.5
59.94458	0.4
65.00297	0.6
65.74888	0.6
69.44244	1.7
69.44659	1.0
81.03438	0.9
99.08138	0.7
109.06503	0.7
111.04514	0.9
113.09711	0.9
121.70365	0.4
122.97586	0.5
123.08128	2.4
124.01653	2.6
125.06048	2.0
147.08113	0.6
147.82571	0.5
149.06030	0.5
151.07634	0.9
152.01151	7.0
165.09248	2.6
177.12788	0.6
181.08717	9.1
181.58487	0.5
188.78395	0.5
191.07149	0.8
194.05806	1.4
195.06595	1.0
201.12791	1.1
205.12375	0.6
208.05592	0.6
208.07394	7.2
209.08136	1.8
210.05313	1.1
217.15988	0.5
219.13731	1.1
231.13887	1.8
233.08174	0.7
233.15372	0.9
236.18495	0.5
237.58469	0.5
247.09711	1.7
249.11269	0.8
261.11316	0.7
261.15009	2.6
263.12912	0.5
275.12881	2.9
275.16489	1.5
277.14383	1.2
287.20184	1.3
301.21710	7.3
302.22043	0.6
303.16058	1.5
313.59021	0.5
329.17392	0.8
331.15173	0.9
331.19171	16.4
332.19467	0.9
335.43719	0.5
345.20706	100.0
346.21048	8.7
353.45816	0.5
389.96552	0.5
399.25400	9.2
400.25949	1.3
461.20377	0.5
581.34857	34.9
582.35138	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	581.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94478	0.5
58.00090	0.6
58.47629	0.5
65.00286	0.5
70.04090	0.6
71.27580	0.5
81.03440	1.5
90.35123	0.6
90.75461	0.5
99.08162	0.7
111.04546	0.7
113.09688	1.7
123.08128	1.9
124.01691	3.0
125.06101	2.7
140.75739	0.6
147.08165	0.8
151.07599	1.0
152.00175	0.6
152.01172	7.1
165.09232	2.5
166.02693	0.7
181.08696	7.4
191.07089	1.1
193.05055	0.6
194.05769	1.2
195.06593	1.6
201.12872	1.2
207.06590	1.7
208.07431	5.8
209.08102	1.6
210.05309	0.8
217.16037	1.0
219.06612	0.6
219.13745	0.9
231.13905	1.2
233.08180	1.2
247.09645	1.3
249.11316	0.8
261.11343	0.9
261.14951	2.6
275.12872	3.7
275.16019	1.0
277.14645	1.0
287.12912	0.9
287.20242	1.8
299.20044	0.6
301.21756	8.2
303.16006	2.6
329.17554	0.5
331.19150	18.9
332.19504	1.7
345.17603	4.5
345.20715	100.0
346.21005	7.5
399.25381	8.8
400.25809	0.7
581.34882	38.5
582.35370	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	582.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04255	0.9
61.98834	100.0
62.04946	0.8
63.73098	0.9
68.92164	0.9
69.65216	4.2
80.96497	2.0
95.63570	0.8
98.22469	1.9
99.57317	0.9
101.98086	1.1
111.08160	2.6
125.09721	4.2
148.87474	0.8
173.11830	1.1
177.47704	0.9
224.29210	0.9
234.70670	0.9
271.22699	1.6
497.36523	1.7
582.34119	69.1
583.33795	10.0
583.42419	5.4
589.13837	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
61.32451	0.8
61.98835	100.0
70.00386	2.1
80.96523	1.7
280.61023	1.2
452.17847	1.2
497.36389	9.0
498.36807	2.6
582.34119	65.3
583.33655	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57835	0.3
59.01379	0.6
61.98808	0.8
62.26365	0.3
63.02376	0.7
65.00312	1.5
67.61928	0.3
70.52412	0.3
71.01374	0.8
83.01379	0.9
93.03466	1.1
104.99133	0.3
107.01376	2.6
108.02205	2.4
109.02967	1.8
115.59232	0.3
121.02981	2.0
121.03731	0.4
124.01646	0.4
125.02460	1.3
135.00894	1.0
137.02449	1.1
148.01712	1.8
150.99199	0.5
151.00380	9.2
152.01115	1.5
153.01970	0.8
163.00433	2.1
163.04062	0.4
164.01181	1.3
165.01884	0.4
169.01398	1.0
178.99872	4.7
187.04057	0.6
190.99881	0.7
192.00706	0.8
198.03293	0.4
199.03941	1.1
201.05531	0.5
203.03427	0.3
211.04039	1.3
212.97878	0.3
215.03542	0.8
216.04218	0.7
224.42949	0.3
226.02705	1.3
227.03537	3.9
243.02986	11.2
244.03580	0.6
245.04469	0.5
254.02167	2.3
255.02992	29.1
256.03329	1.5
271.02484	60.8
272.03021	5.4
273.04016	1.3
281.06622	0.4
283.02405	0.4
299.01944	1.3
300.02759	100.0
301.03494	30.8
302.04037	1.7
315.05014	0.6
343.04224	0.3
347.24387	0.7
365.90326	0.4
409.15125	0.3
445.07718	0.6
463.08850	25.1
464.09140	1.9
583.10938	67.8
583.23724	2.8
584.11316	7.2
584.20435	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.11
Annotation	Quercetin 3-(6''-p-hydroxybenzoylgalactoside)
Peak:m/z	Relative Intensity
56.63841	0.6
59.01372	2.9
61.98835	5.0
65.00320	1.9
71.01386	2.5
71.04998	0.7
73.02963	0.7
78.99094	0.7
83.01392	1.8
87.04504	1.6
93.03478	8.1
95.01385	1.6
99.04507	0.8
101.02463	0.9
107.01402	5.6
108.02177	3.4
109.02969	2.6
121.02968	2.5
123.00889	3.3
123.04530	1.6
125.02447	6.9
137.01472	1.2
137.02461	14.4
139.04016	2.5
140.01122	0.8
148.01697	2.2
149.02339	1.2
151.00366	14.7
152.01184	1.1
163.00404	2.1
163.04031	0.9
164.01099	1.3
165.01936	1.8
167.03491	1.1
168.00621	1.5
169.01437	10.6
174.20256	0.7
177.02069	0.8
178.99881	6.4
179.03595	1.2
191.03584	0.9
193.05141	0.9
199.04010	1.7
209.08192	0.8
211.02332	0.9
211.04079	1.7
216.04221	1.1
226.02655	2.1
227.03471	3.6
229.38579	0.8
239.03331	0.8
243.02980	11.5
244.03433	1.1
245.04643	1.1
254.02213	2.5
255.02992	29.5
256.03503	1.9
271.02478	62.2
272.03012	5.3
273.04022	1.4
283.02457	2.1
299.02115	8.4
299.05396	1.1
300.02768	100.0
301.03503	45.5
302.03995	1.4
317.06512	1.7
445.07742	16.9
446.08200	1.4
451.21747	0.9
463.08868	26.5
464.09140	1.1
579.37567	0.8
583.10913	36.3
583.23981	24.5
584.11151	3.5
584.24518	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1672
Annotation	Seguinoside K
Peak:m/z	Relative Intensity
52.20366	0.8
59.01381	8.0
61.30946	0.7
61.98842	0.8
69.03017	7.1
70.06659	0.8
71.01389	8.3
72.99309	1.6
73.02943	1.5
79.01871	0.8
83.01403	2.1
85.02959	4.0
87.00876	2.1
88.98812	1.4
89.02449	2.3
93.03458	0.9
95.01380	3.2
96.96005	1.5
97.02944	1.0
98.21609	0.9
98.83925	0.8
99.00864	1.0
101.02449	5.6
107.01406	8.0
109.02924	1.7
110.00285	0.8
111.00896	3.4
113.02437	3.4
123.00893	20.6
123.04553	1.7
124.01663	1.1
125.01534	1.6
125.02457	27.8
136.98871	2.0
137.02444	2.0
139.00369	7.5
139.04047	1.3
140.01147	4.2
141.01981	2.3
149.02393	1.1
151.00368	11.9
151.03992	2.4
152.01056	0.8
152.57117	0.8
153.01913	1.2
161.02382	1.2
161.04555	1.3
163.03958	0.9
165.01952	0.9
167.03476	1.7
168.00641	3.6
169.01428	32.2
170.78082	0.8
179.03508	1.6
189.31117	0.8
193.05063	1.1
195.06673	1.5
211.02501	2.2
253.03598	1.1
271.04706	1.3
277.75043	0.9
289.07043	0.8
296.48459	0.8
313.05756	2.3
314.99585	2.4
424.90283	0.9
468.01944	0.9
495.06070	2.1
517.46191	0.8
583.16638	100.0
584.17059	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	583.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20366	0.8
59.01381	8.0
61.30946	0.7
61.98842	0.8
69.03017	7.1
70.06659	0.8
71.01389	8.3
72.99309	1.6
73.02943	1.5
79.01871	0.8
83.01403	2.1
85.02959	4.0
87.00876	2.1
88.98812	1.4
89.02449	2.3
93.03458	0.9
95.01380	3.2
96.96005	1.5
97.02944	1.0
98.21609	0.9
98.83925	0.8
99.00864	1.0
101.02449	5.6
107.01406	8.0
109.02924	1.7
110.00285	0.8
111.00896	3.4
113.02437	3.4
123.00893	20.6
123.04553	1.7
124.01663	1.1
125.01534	1.6
125.02457	27.8
136.98871	2.0
137.02444	2.0
139.00369	7.5
139.04047	1.3
140.01147	4.2
141.01981	2.3
149.02393	1.1
151.00368	11.9
151.03992	2.4
152.01056	0.8
152.57117	0.8
153.01913	1.2
161.02382	1.2
161.04555	1.3
163.03958	0.9
165.01952	0.9
167.03476	1.7
168.00641	3.6
169.01428	32.2
170.78082	0.8
179.03508	1.6
189.31117	0.8
193.05063	1.1
195.06673	1.5
211.02501	2.2
253.03598	1.1
271.04706	1.3
277.75043	0.9
289.07043	0.8
296.48459	0.8
313.05756	2.3
314.99585	2.4
424.90283	0.9
468.01944	0.9
495.06070	2.1
517.46191	0.8
583.16638	100.0
584.17059	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	583.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	3.1
59.01378	16.4
59.01624	2.5
69.26553	6.1
69.26950	11.5
71.01387	8.5
72.73340	2.7
85.06606	8.2
89.02470	8.4
96.96020	8.4
98.95607	6.2
101.02452	11.1
106.58954	2.4
109.02959	6.0
113.02430	4.2
116.92877	3.1
119.03472	3.2
123.00863	2.7
123.04536	6.1
125.02464	24.8
131.07147	33.1
137.02422	4.6
140.00055	2.4
151.04021	6.6
161.02483	6.7
165.01886	2.9
167.03513	5.0
175.03943	4.0
177.01945	8.9
243.02969	6.0
245.08241	3.3
265.82907	3.2
271.82794	2.9
289.07150	14.0
293.12457	100.0
294.12711	6.9
372.16107	2.8
383.36777	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	3.7
58.00594	2.1
59.01379	15.9
61.98835	22.6
63.48425	1.9
67.01892	2.5
71.01393	15.4
72.99301	3.7
73.02954	5.6
75.00886	3.1
79.01918	3.0
83.01393	4.5
83.36482	2.3
85.02964	6.6
85.78841	2.2
87.00883	4.0
87.04523	3.1
89.02434	3.8
93.03477	8.7
95.01385	11.4
97.02985	3.0
99.00889	2.6
101.02480	6.9
102.98648	2.2
107.01394	13.0
111.00885	10.6
111.04494	2.2
113.02449	3.0
116.03960	2.3
119.03495	2.8
121.02950	4.6
122.03787	3.3
123.00890	35.2
123.04537	2.6
124.01688	6.5
124.04926	2.5
125.02465	66.6
126.02860	2.2
136.98837	5.2
137.02481	17.7
139.00377	16.0
140.01198	17.7
141.01964	6.2
149.09814	2.6
151.00415	12.5
152.01215	2.5
161.04527	2.3
165.05687	2.6
166.99883	32.7
167.03529	4.6
168.00650	31.0
169.01445	87.8
176.98041	2.2
177.04074	5.5
179.03499	3.2
181.01413	5.5
183.03085	3.0
195.06750	2.5
211.02495	57.5
212.02924	4.1
241.03458	3.3
243.12743	2.5
255.03026	2.7
262.60712	2.2
267.06635	5.1
268.07388	10.5
269.02994	5.1
270.03879	9.7
271.04648	100.0
272.05099	2.8
281.06656	18.6
283.09879	5.2
300.02789	9.1
301.03574	6.0
301.10907	5.9
313.05688	9.6
329.05090	3.6
331.06760	22.1
431.18533	2.4
539.21295	25.6
565.18787	13.4
583.20905	33.9
584.20557	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	3.7
58.00594	2.1
59.01379	15.9
61.98835	22.6
63.48425	1.9
67.01892	2.5
71.01393	15.4
72.99301	3.7
73.02954	5.6
75.00886	3.1
79.01918	3.0
83.01393	4.5
83.36482	2.3
85.02964	6.6
85.78841	2.2
87.00883	4.0
87.04523	3.1
89.02434	3.8
93.03477	8.7
95.01385	11.4
97.02985	3.0
99.00889	2.6
101.02480	6.9
102.98648	2.2
107.01394	13.0
111.00885	10.6
111.04494	2.2
113.02449	3.0
116.03960	2.3
119.03495	2.8
121.02950	4.6
122.03787	3.3
123.00890	35.2
123.04537	2.6
124.01688	6.5
124.04926	2.5
125.02465	66.6
126.02860	2.2
136.98837	5.2
137.02481	17.7
139.00377	16.0
140.01198	17.7
141.01964	6.2
149.09814	2.6
151.00415	12.5
152.01215	2.5
161.04527	2.3
165.05687	2.6
166.99883	32.7
167.03529	4.6
168.00650	31.0
169.01445	87.8
176.98041	2.2
177.04074	5.5
179.03499	3.2
181.01413	5.5
183.03085	3.0
195.06750	2.5
211.02495	57.5
212.02924	4.1
241.03458	3.3
243.12743	2.5
255.03026	2.7
262.60712	2.2
267.06635	5.1
268.07388	10.5
269.02994	5.1
270.03879	9.7
271.04648	100.0
272.05099	2.8
281.06656	18.6
283.09879	5.2
300.02789	9.1
301.03574	6.0
301.10907	5.9
313.05688	9.6
329.05090	3.6
331.06760	22.1
431.18533	2.4
539.21295	25.6
565.18787	13.4
583.20905	33.9
584.20557	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2189
Annotation	Magnesium protoporphyrin
Peak:m/z	Relative Intensity
57.03434	5.3
59.01376	7.7
61.98835	29.9
69.03448	5.5
73.02933	2.9
78.91881	7.0
82.95354	2.9
83.01399	5.8
85.02961	10.7
85.06598	4.7
95.01376	7.9
95.05032	8.3
96.95985	5.6
97.02957	7.4
108.02186	4.2
109.02964	24.3
111.04519	18.8
113.02436	15.2
113.06072	3.5
114.61662	3.0
121.02979	5.6
121.06558	3.5
123.00924	3.7
123.04517	12.0
125.02457	14.9
134.88483	3.2
135.04504	3.0
137.02463	22.1
138.03136	4.3
139.03996	3.3
146.08258	5.7
149.02422	6.5
151.04012	8.6
163.07603	5.2
164.01152	4.5
164.04758	7.2
165.01979	5.4
165.05518	7.6
167.03471	3.6
175.03886	3.4
178.02742	4.4
179.03473	8.2
179.07117	10.6
181.05045	4.0
181.08714	17.6
183.06619	45.8
187.03941	3.5
188.04790	5.0
193.05092	4.4
193.08704	3.4
195.06593	5.4
197.08272	3.1
203.07130	11.6
205.05095	9.2
205.08575	3.3
207.06679	16.0
209.08188	3.6
225.07686	100.0
233.11868	5.8
243.65382	3.1
245.08145	9.5
251.12878	13.2
275.12799	5.8
277.12186	11.8
289.07172	56.2
293.13998	55.9
294.14337	3.9
357.13361	12.5
501.32062	5.0
523.19708	8.0
565.20642	11.3
583.22034	54.0
583.31439	6.0
584.21503	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	583.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	0.7
61.98833	2.8
67.01885	1.5
69.06483	2.1
69.06908	2.0
71.01374	0.6
79.55579	0.4
81.03458	0.6
83.01366	0.7
91.01909	4.9
95.01389	1.8
95.05077	0.7
96.96025	1.7
98.22562	0.8
107.01394	1.3
108.02180	15.1
109.02982	0.9
111.00840	0.9
111.04530	0.9
113.02462	0.8
116.92851	0.5
121.02982	2.4
121.06561	0.6
121.80676	0.6
122.97603	0.7
123.00890	1.9
123.04537	19.0
123.94683	0.5
125.02422	1.5
132.82675	0.5
135.04536	10.3
136.04913	0.5
136.77480	0.5
137.02419	0.8
149.02452	24.0
151.04015	1.0
152.01160	25.4
153.01674	1.0
161.25128	0.5
163.04025	0.6
163.07436	0.5
164.04800	50.9
165.05328	2.6
166.02692	2.1
167.03503	100.0
168.03772	1.7
179.07141	33.2
180.07501	0.5
181.08665	0.7
183.06563	1.4
198.73639	0.5
203.07092	0.7
205.05077	2.6
207.06570	1.2
209.08080	0.6
216.72408	0.6
220.07449	3.6
221.08061	0.8
225.07697	3.2
235.09755	8.6
238.62749	0.5
289.07089	1.6
293.14001	1.3
445.46884	0.5
464.15454	0.5
501.32324	1.4
583.21912	3.6
583.31061	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	583.2196
Annotation	Magnesium protoporphyrin
Peak:m/z	Relative Intensity
50.73933	1.1
59.01372	3.7
61.98821	7.2
62.97267	1.2
64.48502	1.2
67.01887	2.0
68.99516	1.3
68.99826	16.5
70.73460	1.2
70.84957	2.8
71.01387	1.7
75.10669	1.1
83.01387	1.9
84.54348	1.2
85.02926	1.4
93.03454	3.5
96.95996	1.2
107.01392	2.3
108.02188	29.6
109.02996	6.0
111.00803	1.2
117.03451	1.4
121.02969	3.7
122.03709	4.9
123.00901	17.7
123.04538	27.5
124.01599	1.5
125.02474	7.6
125.04446	1.4
132.02136	5.7
133.02969	2.8
133.55730	1.3
135.04477	2.0
136.01659	2.0
137.02435	3.9
138.03239	42.3
147.04562	2.2
148.01714	1.4
149.02420	2.2
150.03242	21.2
151.00354	6.4
151.03914	2.0
153.05641	1.6
153.09209	5.2
156.76405	1.3
160.01793	1.4
161.02441	12.4
162.03244	31.6
163.03998	15.6
164.04759	1.8
165.05568	2.9
167.03540	2.5
167.10785	1.8
169.01398	3.4
171.44310	1.6
177.02075	1.4
177.04082	2.3
177.05588	43.7
178.02719	32.8
179.03546	6.2
179.07039	1.3
179.10873	3.5
193.05072	100.0
194.05499	2.9
195.02927	1.5
195.06548	2.1
195.10315	1.7
197.08188	3.0
209.08139	2.8
223.09779	3.0
227.03456	1.3
243.06647	9.3
255.02997	2.6
269.13971	1.3
270.08926	3.0
271.02417	4.1
271.06125	4.5
285.11331	2.8
287.05484	2.1
299.09067	2.2
300.02789	7.2
301.03445	5.9
314.08014	2.8
329.10278	7.7
341.10297	11.1
343.11807	2.3
344.12613	10.1
356.12625	4.2
359.15079	17.1
360.15466	1.4
371.15009	11.0
463.08746	2.2
583.11755	3.9
583.22070	51.6
584.22290	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	583.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85151	0.7
61.98829	5.7
67.26320	0.6
69.03063	2.5
69.03488	3.4
77.43920	0.6
78.95903	0.6
93.03465	2.8
96.96018	3.7
121.02961	5.6
122.03757	14.4
123.00938	1.2
124.01655	1.6
133.02986	1.3
135.04485	1.3
136.01677	7.6
137.02483	1.5
149.02451	17.4
150.03238	83.4
151.00406	1.6
151.04037	6.6
162.03183	1.0
163.04073	0.8
164.04816	2.8
165.05579	100.0
166.02740	4.1
166.05942	3.0
175.04019	1.3
177.05635	0.7
180.04309	6.3
181.05048	6.2
190.06378	1.5
195.06630	66.6
196.06972	2.2
221.08160	0.7
342.10992	1.4
357.09711	1.3
357.13510	8.6
358.13980	0.9
373.13007	1.1
387.14484	11.3
388.14856	0.8
535.19800	4.2
583.23871	1.3
605.92419	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.4
61.69675	0.7
61.98818	1.6
70.81445	0.8
88.98798	3.9
93.03488	3.9
95.01365	0.8
95.05038	1.3
96.96047	4.5
98.21715	1.5
105.03394	0.8
108.02190	1.1
109.02957	1.1
121.02961	7.4
122.03752	15.8
123.00891	1.3
123.04581	1.0
124.01677	1.1
125.02458	7.2
133.02997	1.2
136.01666	1.6
137.02454	1.3
139.03937	0.8
149.02444	30.8
150.03236	100.0
151.03706	1.6
164.04788	6.6
165.05579	93.6
166.05945	2.6
169.01421	7.3
171.53125	0.8
175.04088	1.0
177.05583	2.0
179.07196	1.4
180.04305	5.4
190.06447	0.8
195.06638	50.3
196.07037	1.7
224.06927	0.9
229.33583	0.7
243.06548	1.0
263.42886	0.8
267.06570	0.9
268.07516	2.2
278.05920	1.0
280.07486	0.8
281.08340	0.9
283.09866	1.2
295.09460	0.8
296.06964	1.7
297.11383	1.1
299.09308	1.9
308.07080	1.6
308.10464	2.0
309.07803	1.1
312.06415	3.0
323.09265	3.1
324.10043	2.9
325.10760	2.6
326.11554	4.5
327.08710	6.4
338.11615	1.4
339.08749	8.3
339.12512	2.2
340.09167	1.5
341.13995	1.9
342.11063	5.9
343.11542	0.9
353.10406	1.2
354.11072	3.6
357.13428	19.1
357.17780	1.2
358.13855	1.1
369.13409	21.4
370.13974	1.2
461.16324	1.0
487.18094	0.9
489.15234	0.9
505.18600	5.6
506.19104	0.9
517.18988	1.2
520.17291	1.1
535.19788	36.8
536.19946	3.7
553.20941	1.3
583.23773	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.5
61.98822	2.8
71.29645	1.3
78.95918	1.9
87.18048	0.8
88.98779	1.3
96.96040	1.0
96.96976	1.9
99.92593	49.6
100.92617	1.3
100.93349	1.2
111.00924	1.0
113.92648	1.3
115.92085	49.3
116.92092	1.8
116.92856	13.6
125.09744	1.4
153.09286	0.8
263.25751	0.8
277.98819	1.0
346.95554	0.9
435.28995	1.0
437.30853	2.9
439.32224	1.5
456.50455	0.9
469.34061	0.9
483.30957	3.3
485.32642	6.2
501.32111	1.1
523.30450	1.0
553.22723	2.1
565.22705	1.4
568.21210	2.6
583.23730	100.0
584.23944	15.6
597.21600	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	583.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04261	0.6
57.03452	0.9
59.01398	3.6
59.20694	0.6
61.98833	8.3
69.03448	3.0
69.16765	3.0
69.17180	2.0
71.01383	1.7
73.02951	1.0
75.00848	1.4
79.01868	1.1
81.03435	1.5
83.01379	1.7
85.02943	1.7
87.04521	2.4
87.88425	0.7
90.12157	0.6
93.03430	1.1
95.01373	2.3
97.02943	2.8
101.02478	1.3
107.01382	2.7
108.02181	1.4
109.02967	1.4
109.64647	0.8
113.02428	1.1
123.00908	9.3
124.01675	22.9
125.02460	56.9
126.02763	0.9
135.04515	0.8
137.02451	3.3
139.00362	1.0
139.07600	0.9
139.11267	1.7
149.02446	0.8
149.99605	31.1
151.00389	7.2
167.03433	1.5
168.00655	60.2
169.01442	10.8
178.37030	1.0
179.03503	1.0
183.10246	1.6
296.83401	0.7
300.02646	1.3
313.05591	2.4
331.06705	2.7
459.89169	0.7
583.23901	100.0
584.24146	10.6
600.65826	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56559	1.9
53.31785	1.9
54.06962	1.9
59.01381	14.8
61.98838	37.2
63.38981	1.7
69.03369	4.6
69.03773	11.3
71.01404	12.7
73.02923	3.2
77.04208	2.0
82.95434	2.9
83.01373	2.4
84.95133	28.5
84.99966	2.2
85.00443	23.8
85.02938	5.2
87.04520	3.5
89.02434	6.6
93.03427	4.1
95.01337	3.1
96.95986	4.5
101.02416	7.5
103.85390	1.7
107.01371	5.7
107.05017	2.8
108.02154	4.0
109.02916	5.5
111.00856	3.2
113.02440	4.4
121.02959	4.0
122.03772	4.4
123.00896	19.6
125.02471	26.2
136.21838	2.3
136.98730	2.4
137.02396	6.0
138.03171	4.1
139.00328	6.9
139.04030	64.9
140.01170	4.6
149.02379	8.6
150.02196	2.2
150.03239	28.1
151.00357	11.9
151.03973	3.0
153.05504	3.5
163.03938	2.3
164.04834	1.9
165.05588	33.5
167.03433	5.8
168.00595	5.8
169.00188	2.4
169.01430	24.9
169.05086	90.6
170.05302	2.5
178.02599	2.5
179.03368	2.1
180.04269	3.8
195.06602	15.2
198.40123	1.9
208.03848	2.1
211.02399	4.3
223.06091	4.5
225.15007	2.1
243.06314	2.7
269.13861	7.6
271.04532	5.8
271.09399	2.0
276.80292	2.2
285.03900	7.5
297.06320	2.3
331.10202	8.2
342.11011	2.3
357.13394	4.6
369.13315	5.4
431.22879	15.7
481.16867	2.0
501.32294	4.9
539.25092	11.1
542.71362	2.5
565.22443	4.4
583.23804	100.0
584.23969	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	583.24
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.4
59.01382	2.5
61.98826	1.2
63.44544	0.3
64.46079	0.3
65.13755	0.2
67.01887	0.6
67.26832	0.3
69.03442	0.4
71.01389	2.5
72.99316	0.4
73.02936	0.6
78.95911	6.0
79.01921	0.7
79.95751	2.7
81.03447	0.4
83.01383	0.9
85.02940	1.4
86.52612	0.3
87.00902	0.4
87.04559	0.3
89.02446	1.0
93.03473	0.4
94.98077	0.5
95.01389	1.7
96.96017	100.0
96.96921	7.3
97.02968	0.7
97.95983	0.4
99.00861	0.3
99.04511	1.0
101.02471	1.3
103.67329	0.3
107.01395	3.4
108.02194	3.7
108.27607	0.3
109.02965	3.3
111.00916	1.6
113.02440	1.1
115.07655	0.5
116.92908	0.7
119.03544	0.4
121.02993	0.3
123.00903	9.0
123.04525	0.6
124.01682	0.9
125.02457	16.1
127.00394	0.6
127.07639	0.3
135.04541	0.7
136.98820	0.9
137.02432	0.8
138.03217	0.6
139.00377	3.3
139.04001	0.3
140.01173	2.3
141.01949	1.4
148.32176	0.3
149.02412	0.5
150.03221	0.4
151.00378	6.1
151.04007	0.4
151.82205	0.3
152.01170	3.7
153.01917	1.8
153.05496	0.4
161.02487	0.5
163.04021	0.5
164.04831	0.5
165.01956	0.6
165.05537	0.6
167.03516	0.6
167.07161	0.5
168.00676	3.4
169.01439	22.5
171.04430	0.5
177.01961	0.5
179.03497	0.9
179.07301	0.3
181.05122	0.4
183.02959	0.3
197.08191	1.0
199.04024	0.7
209.08159	0.7
211.02483	11.1
213.05615	0.8
225.05627	0.3
227.03560	0.4
240.61819	0.3
241.05182	3.6
243.06720	0.7
269.04611	0.9
271.04605	10.0
272.04950	0.6
313.05743	2.5
315.07428	0.4
331.06726	0.7
333.07822	0.3
375.08878	1.1
485.12488	5.6
485.17624	2.2
486.12741	0.7
521.20099	0.4
523.07135	2.9
583.10931	3.6
583.24005	63.3
584.10529	0.5
584.24414	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	583.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.2
57.03446	1.2
58.00590	0.9
59.01384	17.2
61.98819	1.4
66.81387	0.5
69.13834	3.9
69.14245	1.3
71.01388	15.9
72.99294	1.3
73.02947	5.5
83.01405	3.5
85.02953	7.8
86.00111	1.4
87.00873	2.3
87.04526	0.7
89.02446	5.4
95.01380	1.7
98.22527	1.3
99.00904	2.2
101.02448	15.0
108.02180	9.7
109.02973	6.9
110.63625	0.6
110.83494	0.7
111.00896	0.9
113.02454	4.9
115.18921	0.9
116.46095	0.7
117.05589	0.8
119.03504	1.4
123.04514	0.8
125.02464	1.7
129.02011	0.6
137.02417	1.6
143.03435	0.9
145.02997	0.7
148.01723	0.8
149.02431	0.6
150.03224	1.2
151.00372	1.9
151.04012	2.0
152.01163	10.9
152.04814	1.3
153.01921	3.6
159.02980	1.1
161.02425	0.6
161.04610	1.2
163.04013	2.5
164.04782	2.1
165.05540	1.8
178.06425	1.2
179.03554	1.1
179.07133	1.5
181.05083	11.8
182.05791	0.8
194.05818	1.6
195.06578	0.8
196.07419	17.5
197.08105	1.8
199.03963	0.7
209.08211	3.3
211.09760	26.0
212.10097	1.1
225.07628	0.8
227.03345	0.7
243.02998	2.1
255.03003	5.2
271.02463	12.6
272.02951	0.8
281.09937	0.7
300.02759	20.3
301.03464	7.0
315.07263	2.2
358.12695	3.4
373.15045	100.0
374.15430	6.4
387.16434	1.5
421.27567	0.8
462.57022	0.7
463.08917	5.8
583.10907	12.6
583.23883	38.7
583.32379	4.3
584.11414	1.6
584.24487	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	583.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21637	0.7
57.03445	1.4
59.01371	1.8
68.99828	1.0
69.03481	0.9
71.01376	1.2
71.05019	1.0
73.02943	1.1
79.01870	1.5
79.78563	0.6
79.95720	0.8
80.96146	0.5
80.96526	5.3
82.14119	0.6
82.96098	2.9
83.01394	0.8
85.02949	3.6
85.06611	3.4
87.04504	2.2
88.98806	0.8
93.03433	0.8
94.98096	1.1
95.01390	3.4
95.05019	6.1
96.97621	0.7
97.02948	1.8
106.98140	0.8
107.08651	1.1
109.02972	2.1
109.06593	3.4
111.00899	1.0
111.04530	22.0
111.08171	0.9
113.02454	4.5
113.06086	1.5
121.02949	0.8
121.06554	1.0
122.03673	0.7
123.08170	3.8
125.02461	1.2
135.04480	0.7
135.08168	1.8
137.02473	1.1
138.03253	1.6
139.04033	8.1
139.07663	1.8
141.09259	0.9
147.08195	0.8
150.06892	1.0
151.04065	0.8
153.09230	1.0
155.07118	1.3
163.07639	2.1
165.01926	1.5
165.05563	2.8
165.09212	24.0
166.06354	2.5
166.09557	1.0
167.07082	1.3
179.03609	1.0
179.07114	4.8
181.05122	1.1
181.08736	4.6
183.06621	19.9
184.06841	1.0
191.07158	1.8
193.05023	0.7
193.08713	2.3
193.51447	0.6
194.05843	0.9
195.06644	1.7
198.05345	0.7
207.06628	11.0
208.07341	1.1
209.08199	100.0
210.05318	0.6
210.08585	3.1
219.06538	1.6
221.08238	2.6
221.11938	0.7
223.09723	1.5
225.07687	71.8
226.08058	2.6
233.08156	1.9
235.09659	0.7
237.07730	2.3
244.30194	0.7
245.11942	0.8
248.06894	7.3
249.07648	1.1
251.09227	2.5
259.13373	1.1
261.07605	4.2
261.11349	2.8
262.08286	1.5
263.12827	2.8
273.11377	0.9
287.12958	1.0
299.09122	0.8
303.16031	1.9
317.10355	1.4
326.07947	0.9
329.17664	2.1
331.11917	2.4
341.10315	1.1
347.15088	1.1
347.18640	5.2
355.19080	0.8
356.15927	0.9
357.17050	22.2
358.17554	1.2
359.18518	3.3
368.12650	2.5
369.13422	6.5
373.16528	19.6
373.20834	1.3
374.16898	1.6
393.13547	0.9
399.18140	2.0
411.14474	23.2
412.14951	1.9
443.17017	2.2
505.22272	1.7
523.23645	1.6
565.24200	8.6
566.26147	0.6
580.59497	0.7
582.29626	0.7
583.24854	9.7
583.31873	13.9
584.32849	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13881	0.9
57.03444	1.8
59.01376	2.1
69.03455	1.4
69.14565	1.0
70.77386	2.0
79.01895	2.2
80.96522	3.4
82.96081	1.9
83.05019	1.6
85.02953	6.4
85.06606	5.4
85.34995	1.0
87.04513	3.7
94.98135	1.2
95.01395	4.1
95.05046	7.1
97.02946	3.1
100.32632	1.0
101.95991	1.4
107.05030	0.9
107.08660	1.7
109.02939	1.5
109.06592	4.3
111.04530	25.6
111.08157	4.2
113.02467	8.2
113.06075	1.9
121.06568	2.1
123.04477	1.2
123.08137	5.2
125.02432	1.7
137.02458	1.9
137.06087	1.7
138.03252	1.7
139.04050	7.8
139.07655	2.0
141.09229	2.4
144.35808	1.1
147.08197	1.2
150.06807	1.5
151.04028	1.5
153.09242	1.5
155.07104	2.4
165.05618	5.2
165.09236	24.3
166.06326	3.2
167.07140	1.8
174.63890	0.9
179.07086	5.5
179.10754	1.5
181.05151	1.5
181.08640	5.4
183.06641	26.3
191.07147	2.0
193.05142	1.2
193.08727	2.4
194.05832	2.0
195.06619	2.8
207.06647	13.5
209.08205	82.6
210.05373	1.6
210.08496	3.2
219.06531	2.3
221.08205	2.1
223.09732	3.1
225.07689	100.0
226.08017	3.4
233.08235	1.5
237.07709	3.3
243.10242	1.4
245.11874	1.5
248.06895	7.5
249.07666	2.4
253.08760	1.0
259.13589	1.1
261.07629	4.5
261.11322	3.7
262.08408	2.4
263.12964	1.4
287.13297	1.2
297.07520	1.6
298.08356	1.5
302.15195	1.2
317.10336	2.6
318.11087	1.2
325.07245	1.1
328.91617	1.2
329.17657	3.0
331.15741	2.2
347.15131	1.4
347.18677	8.7
357.17084	32.8
358.17404	2.3
359.18765	4.9
368.12698	4.6
369.13486	6.7
373.16571	29.7
373.20270	1.0
374.16769	3.2
385.16693	1.3
387.14615	1.1
399.18173	2.3
409.20303	1.3
411.14499	35.2
412.14694	3.7
505.22223	3.1
523.23566	3.2
565.24329	15.9
566.24628	1.6
583.24036	20.7
583.32831	5.6
583.42474	3.7
584.25604	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.8
61.98827	5.8
70.02576	3.2
70.02957	2.6
85.02950	5.5
96.96037	2.4
98.21825	2.2
99.92591	5.7
99.93212	1.7
110.39336	1.6
115.92102	17.3
116.92886	5.2
128.48135	1.6
141.93657	1.7
169.43678	1.7
170.51811	1.4
177.42273	1.6
209.08130	1.6
379.30200	1.8
411.32770	2.4
423.28879	2.3
439.32086	6.7
457.33105	6.2
479.31421	17.5
485.32510	5.4
494.88715	1.6
501.32190	28.4
502.32324	3.0
523.30493	100.0
524.30890	11.0
583.22681	8.2
583.32257	11.6
584.23920	11.3
591.83588	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4214
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	5.6
61.98836	28.2
68.36073	1.7
70.96170	1.8
71.01364	2.5
71.27615	2.2
74.65199	1.7
77.14674	1.8
80.96528	15.3
83.05035	10.0
94.98135	2.8
97.06619	3.8
100.34856	2.0
101.98111	2.1
109.06605	2.9
110.35643	1.9
111.08174	53.3
123.08170	3.3
125.09732	27.9
143.71690	1.9
159.10255	6.2
173.08179	15.0
173.11839	15.4
187.09775	7.3
209.21555	1.6
225.00890	2.3
232.38918	1.6
271.22849	15.7
409.29422	2.0
565.40631	2.2
583.32745	39.0
583.42157	100.0
584.33136	4.4
584.42444	12.7
603.65674	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	584.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	12.0
61.98835	67.0
71.01389	3.9
71.29020	2.7
81.17213	3.0
83.01389	3.5
85.94129	2.7
88.26923	2.5
93.03449	4.1
95.01380	7.4
96.13793	2.7
96.96030	10.6
101.02492	2.8
102.54890	3.1
107.01403	11.7
108.02186	18.4
108.12724	2.9
109.02970	16.5
110.03320	2.7
111.00883	4.2
123.00887	14.9
123.04549	4.0
124.01696	4.6
125.02460	60.7
126.02798	4.1
135.04572	3.5
137.02452	9.4
138.03242	3.2
139.00378	8.1
140.01231	3.0
141.87108	2.9
151.00377	5.8
151.04039	4.1
152.01193	13.8
153.01947	14.2
165.05510	3.3
166.99910	3.2
167.03529	4.7
168.00629	12.9
169.01447	78.9
211.02505	69.2
212.02762	3.0
223.71065	3.0
227.07187	10.6
241.03621	3.7
253.05081	5.9
255.02933	3.6
256.03244	3.2
271.04654	100.0
272.02716	3.6
300.02747	8.4
301.00137	5.1
301.03278	11.7
302.03989	3.9
313.05713	9.7
331.06750	23.3
367.06812	3.3
433.06400	3.3
464.09241	3.0
521.20343	73.9
522.20532	4.6
541.13593	28.3
584.11279	14.8
584.25085	31.4
585.13623	17.8
585.26007	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	584.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93469	1.1
54.24655	1.2
59.01379	3.7
61.98618	0.9
61.98839	9.5
71.01387	2.8
89.94819	1.0
101.02473	2.1
107.01382	3.6
111.00855	2.4
123.00902	5.4
125.02451	20.7
127.00445	1.5
136.98813	1.6
137.09692	1.4
139.00362	1.6
140.01135	3.8
151.00369	3.1
151.82773	1.3
161.12346	1.0
167.03442	2.0
168.00620	10.7
169.01427	35.2
170.01689	2.0
196.32159	1.1
211.02496	52.9
212.02798	2.3
227.07169	1.3
241.03397	1.9
271.04605	100.0
272.04956	6.0
275.01825	1.2
301.00198	1.5
331.06732	29.0
331.10715	1.8
332.07111	1.6
341.19989	1.3
358.05734	1.1
424.57275	1.2
521.20294	53.4
522.20453	5.4
522.83557	1.1
541.13538	1.6
585.12152	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70120	0.4
57.03453	0.5
59.01383	1.2
61.98835	100.0
70.86041	0.5
78.95915	0.7
81.03441	0.4
89.02440	0.4
93.03468	0.4
95.01398	0.5
96.96033	0.9
97.70168	0.4
101.67695	0.4
108.02248	0.6
109.02988	1.1
123.00917	1.3
123.04575	0.5
125.02483	3.0
137.02483	1.5
138.03282	0.6
139.04088	0.7
149.02432	0.7
151.04034	0.9
152.01167	0.4
153.01956	0.7
154.02298	0.4
165.05501	0.6
166.99910	0.9
169.01530	1.4
179.03494	0.7
181.05096	0.9
182.02223	1.8
183.02638	0.7
196.07640	0.5
197.04559	2.5
197.07893	0.4
198.04973	1.4
211.09866	1.4
212.10153	0.8
243.06671	0.4
245.08372	0.7
271.04727	0.5
289.07126	2.8
499.13101	0.5
521.19971	2.0
584.24207	1.2
585.25677	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70120	0.4
57.03453	0.5
59.01383	1.2
61.98835	100.0
70.86041	0.5
78.95915	0.7
81.03441	0.4
89.02440	0.4
93.03468	0.4
95.01398	0.5
96.96033	0.9
97.70168	0.4
101.67695	0.4
108.02248	0.6
109.02988	1.1
123.00917	1.3
123.04575	0.5
125.02483	3.0
137.02483	1.5
138.03282	0.6
139.04088	0.7
149.02432	0.7
151.04034	0.9
152.01167	0.4
153.01956	0.7
154.02298	0.4
165.05501	0.6
166.99910	0.9
169.01530	1.4
179.03494	0.7
181.05096	0.9
182.02223	1.8
183.02638	0.7
196.07640	0.5
197.04559	2.5
197.07893	0.4
198.04973	1.4
211.09866	1.4
212.10153	0.8
243.06671	0.4
245.08372	0.7
271.04727	0.5
289.07126	2.8
499.13101	0.5
521.19971	2.0
584.24207	1.2
585.25677	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	1.1
60.08175	0.8
61.49198	0.7
61.98832	1.5
69.12437	6.6
71.01397	1.9
79.95737	6.2
88.59512	0.9
89.38450	0.8
96.96017	100.0
98.21757	1.1
119.96336	0.9
123.04559	1.3
125.02459	1.0
135.04597	1.3
137.02475	3.4
155.48059	0.8
159.04523	6.2
163.83514	0.9
165.01888	0.9
169.01489	1.3
173.06062	1.8
175.07578	1.9
182.02313	0.9
190.39751	0.9
197.04527	2.6
199.07678	1.2
201.05585	6.1
225.05649	1.1
243.06622	61.7
244.07001	2.3
275.02017	0.9
303.08859	1.4
326.06506	1.1
341.08893	9.6
460.17517	1.2
520.63190	1.0
585.16522	50.4
585.23987	1.9
586.16925	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	585.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.8
59.01381	13.5
61.98838	1.4
68.99819	0.6
71.01382	3.6
73.02935	2.5
81.03455	1.6
83.01406	1.0
85.02943	3.7
93.03475	1.2
95.01376	2.7
98.22552	1.1
101.02445	2.1
108.02181	62.3
109.02963	46.4
110.03280	1.2
113.02461	1.7
121.02930	2.0
123.00916	3.2
123.04516	1.4
125.02420	2.6
135.04449	0.9
138.03288	0.6
150.03278	1.1
150.15431	0.7
151.00375	1.1
151.03983	2.0
152.01164	63.6
153.01955	25.8
161.04527	1.1
163.04007	1.2
165.01906	1.6
165.05588	1.6
166.71733	0.6
166.99814	0.6
169.01445	2.4
179.26369	0.7
181.12379	0.7
182.02170	2.2
183.10071	1.0
195.06586	1.0
197.04530	4.2
207.13921	0.8
209.11894	1.2
211.02414	1.2
223.78380	0.6
225.11334	0.8
227.12935	4.4
243.12296	0.8
255.02914	1.0
256.03207	0.9
257.03485	1.0
269.13919	0.7
271.02356	1.8
271.04666	1.9
272.02829	1.0
273.03009	1.5
297.06226	1.1
300.02750	3.8
301.03357	3.7
302.03400	4.2
303.03812	1.1
315.07205	8.3
357.08194	6.4
465.09113	2.4
472.99582	0.8
505.20447	0.7
507.18494	1.2
523.21704	2.2
525.19147	2.1
541.23047	3.3
567.21124	6.1
585.11792	6.0
585.21741	100.0
586.22095	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	585.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45487	0.9
58.00585	0.9
59.01091	1.9
59.01381	28.9
71.01385	17.5
72.99295	1.4
73.02946	1.3
85.02953	3.6
85.27501	0.8
87.00899	4.4
89.02451	27.4
95.01412	1.3
101.02447	14.1
109.65004	0.9
113.02460	9.1
117.99632	0.9
119.03512	12.7
121.02962	4.8
123.00864	1.4
125.02460	1.9
126.41637	0.9
131.03514	1.4
135.04530	18.3
135.48386	0.8
137.02435	1.7
143.03490	3.1
149.02454	47.9
151.00380	3.0
161.04543	3.4
163.04117	1.3
164.04803	100.0
165.01973	2.5
165.05168	4.0
166.02745	6.5
169.01437	3.8
177.00496	1.9
177.01947	26.1
177.03513	1.3
179.05615	7.2
179.07124	55.3
180.04305	2.1
180.07498	1.6
181.05081	28.5
182.05458	1.5
183.06624	0.9
192.04288	15.7
195.03021	2.7
195.06622	5.7
207.06725	6.0
210.05373	3.1
221.06583	1.2
225.07727	4.8
275.89160	1.0
345.13452	1.6
387.12939	9.7
405.15591	5.2
423.16449	1.3
527.17450	1.4
567.20947	8.5
568.21301	1.8
585.21655	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	585.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.4
59.01380	4.5
61.98826	1.1
70.62831	1.8
71.01388	6.3
73.02953	1.9
75.76472	1.0
83.01427	1.2
83.16064	0.9
85.02982	3.3
89.02457	3.9
94.34246	1.0
99.00905	1.0
101.02451	2.8
109.02915	1.2
111.00840	1.0
113.02442	2.7
119.03497	1.0
119.04954	1.1
120.99628	2.5
121.02957	5.2
122.03757	1.3
125.02480	7.9
135.04543	11.0
136.01602	1.1
137.02463	6.2
149.02448	35.8
150.03230	8.2
151.00369	1.6
151.03954	1.3
153.00215	1.1
153.05589	1.7
161.04567	2.3
164.04805	94.2
165.01942	40.6
165.05580	8.0
169.01448	2.1
179.07144	81.8
180.04303	29.8
180.07495	3.1
180.99680	2.9
181.04793	1.0
182.02174	2.5
183.01297	1.4
195.06636	100.0
196.07001	4.5
197.04596	7.3
208.99152	3.7
225.07655	3.0
227.08910	1.1
233.08170	1.6
239.05589	1.2
243.08667	5.4
261.07751	3.2
317.01273	2.4
331.08603	1.0
357.13446	1.9
365.18375	1.1
381.11987	4.4
389.14725	1.8
423.16727	28.1
424.17065	2.1
436.14996	1.0
479.06461	2.8
497.07654	1.4
537.19659	3.5
566.46313	1.1
567.07428	1.4
585.09039	2.5
585.22345	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00042	1.5
55.15356	1.5
59.01378	8.2
61.98830	9.1
71.01390	3.1
78.91885	4.0
79.15364	1.4
82.95425	2.7
83.01387	4.6
85.02954	5.0
86.63434	1.4
87.04498	3.5
93.03466	2.6
95.01379	1.8
95.05022	2.6
101.02451	1.9
108.02190	5.1
109.02954	8.8
111.00893	5.2
111.04506	7.7
113.02445	3.3
116.92857	6.6
121.02966	20.4
122.03701	1.8
123.00872	1.6
123.04518	9.2
125.02443	6.2
134.03722	3.4
135.04544	6.7
135.21558	1.6
137.02431	8.5
137.06090	1.7
139.03992	5.4
145.02957	3.9
147.04565	2.1
149.02443	8.8
149.06128	2.6
150.03175	4.3
151.00430	1.9
151.04019	10.7
152.01123	2.5
153.01837	1.5
159.04529	1.5
160.05313	2.6
161.02528	2.2
161.04652	1.6
161.06035	3.1
163.04030	4.3
164.04794	3.5
165.01918	8.5
165.05626	8.9
166.06360	54.9
169.01476	2.0
175.03979	3.6
177.01913	2.7
177.05533	2.1
178.02721	1.5
178.06352	1.9
179.03458	2.6
179.07126	5.2
179.33130	1.5
180.04269	4.9
181.05055	2.4
181.08720	26.1
183.06670	11.6
188.04749	1.4
189.05559	3.0
191.03542	4.7
191.07066	3.3
193.05017	3.2
194.05969	1.9
195.06627	15.5
197.06213	1.5
205.04942	2.9
206.05882	2.4
207.06633	3.8
208.11829	1.7
213.05598	3.5
215.03430	2.0
215.07123	5.5
219.06676	5.0
223.06076	1.7
225.05713	2.1
237.07736	5.0
247.06221	2.0
253.05113	2.8
254.05858	8.7
255.06351	1.9
255.10277	2.5
257.08200	3.5
265.08591	3.2
271.06177	2.3
271.09705	1.6
281.08237	2.1
282.09097	1.6
283.09799	4.4
291.08691	4.9
293.08051	3.1
294.08667	1.7
296.06851	6.0
297.07675	3.8
298.12073	3.8
299.09134	2.7
301.07169	6.0
310.08517	1.9
311.09244	29.1
313.10886	1.7
314.08200	2.3
314.11566	2.5
315.08704	2.0
325.10620	2.1
326.11600	41.8
327.08600	2.2
327.12070	3.5
329.10355	2.7
341.13934	100.0
342.10806	2.7
342.14438	3.4
343.11957	9.3
355.11905	2.2
359.14966	2.3
361.12949	2.1
373.12909	7.3
382.40988	1.4
385.13058	15.0
386.13092	1.6
401.15610	1.6
403.13974	89.6
404.14276	5.3
423.18176	37.6
424.18515	3.5
429.19476	1.8
585.22443	19.2
586.24078	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00042	1.5
55.15356	1.5
59.01378	8.2
61.98830	9.1
71.01390	3.1
78.91885	4.0
79.15364	1.4
82.95425	2.7
83.01387	4.6
85.02954	5.0
86.63434	1.4
87.04498	3.5
93.03466	2.6
95.01379	1.8
95.05022	2.6
101.02451	1.9
108.02190	5.1
109.02954	8.8
111.00893	5.2
111.04506	7.7
113.02445	3.3
116.92857	6.6
121.02966	20.4
122.03701	1.8
123.00872	1.6
123.04518	9.2
125.02443	6.2
134.03722	3.4
135.04544	6.7
135.21558	1.6
137.02431	8.5
137.06090	1.7
139.03992	5.4
145.02957	3.9
147.04565	2.1
149.02443	8.8
149.06128	2.6
150.03175	4.3
151.00430	1.9
151.04019	10.7
152.01123	2.5
153.01837	1.5
159.04529	1.5
160.05313	2.6
161.02528	2.2
161.04652	1.6
161.06035	3.1
163.04030	4.3
164.04794	3.5
165.01918	8.5
165.05626	8.9
166.06360	54.9
169.01476	2.0
175.03979	3.6
177.01913	2.7
177.05533	2.1
178.02721	1.5
178.06352	1.9
179.03458	2.6
179.07126	5.2
179.33130	1.5
180.04269	4.9
181.05055	2.4
181.08720	26.1
183.06670	11.6
188.04749	1.4
189.05559	3.0
191.03542	4.7
191.07066	3.3
193.05017	3.2
194.05969	1.9
195.06627	15.5
197.06213	1.5
205.04942	2.9
206.05882	2.4
207.06633	3.8
208.11829	1.7
213.05598	3.5
215.03430	2.0
215.07123	5.5
219.06676	5.0
223.06076	1.7
225.05713	2.1
237.07736	5.0
247.06221	2.0
253.05113	2.8
254.05858	8.7
255.06351	1.9
255.10277	2.5
257.08200	3.5
265.08591	3.2
271.06177	2.3
271.09705	1.6
281.08237	2.1
282.09097	1.6
283.09799	4.4
291.08691	4.9
293.08051	3.1
294.08667	1.7
296.06851	6.0
297.07675	3.8
298.12073	3.8
299.09134	2.7
301.07169	6.0
310.08517	1.9
311.09244	29.1
313.10886	1.7
314.08200	2.3
314.11566	2.5
315.08704	2.0
325.10620	2.1
326.11600	41.8
327.08600	2.2
327.12070	3.5
329.10355	2.7
341.13934	100.0
342.10806	2.7
342.14438	3.4
343.11957	9.3
355.11905	2.2
359.14966	2.3
361.12949	2.1
373.12909	7.3
382.40988	1.4
385.13058	15.0
386.13092	1.6
401.15610	1.6
403.13974	89.6
404.14276	5.3
423.18176	37.6
424.18515	3.5
429.19476	1.8
585.22443	19.2
586.24078	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80965	0.4
58.57049	0.5
59.01392	0.7
61.75381	0.5
61.98835	2.9
67.13663	0.4
69.00866	2.5
69.01298	2.1
78.50499	0.4
82.82043	0.5
87.00868	0.5
93.03458	3.2
108.02146	0.6
108.07735	0.5
109.02959	0.5
119.05040	1.0
121.02969	5.5
122.03746	13.1
124.01691	0.7
125.02435	1.4
133.02957	1.7
135.04543	0.9
136.01659	2.3
137.02426	1.3
149.02448	16.6
150.03235	91.5
151.03558	3.2
163.04004	0.8
164.04819	3.2
165.05580	100.0
166.05930	3.8
180.04306	7.4
195.06636	69.9
196.06944	2.2
243.06654	2.3
257.11896	0.8
267.05927	0.5
270.08948	1.7
284.07230	0.5
285.04288	0.5
285.11267	1.6
297.97452	0.6
298.08502	0.9
299.09290	1.9
303.04938	0.5
313.10684	0.8
314.07977	1.7
323.09174	0.7
325.10596	0.8
326.08023	1.1
326.11667	0.9
329.10269	5.4
330.10745	0.5
341.10236	7.0
341.14041	0.7
343.11810	0.6
344.12640	5.9
345.13214	0.9
356.12650	2.5
356.27887	0.5
359.15039	16.6
360.15369	1.1
371.15009	14.5
372.15051	0.9
384.98862	0.5
413.69177	0.5
507.20380	1.2
537.21277	1.5
585.24268	0.6
605.85864	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30517	0.5
59.01394	1.2
61.98854	1.2
68.32450	0.7
69.00669	0.6
69.09877	4.1
76.75151	0.6
93.03464	4.7
95.01413	0.7
95.05099	0.7
95.66449	0.6
105.03488	0.7
109.03033	0.7
121.02969	6.5
122.03757	12.3
123.00805	0.7
123.04499	0.6
124.01701	0.9
125.02499	1.8
133.02966	1.6
133.74199	0.6
135.04523	1.0
136.01701	1.5
137.02467	1.0
149.02458	37.6
150.03242	92.6
150.23555	0.6
151.03519	2.8
153.05608	1.2
164.04834	8.7
165.05585	100.0
166.05908	3.1
168.00586	0.5
169.01486	0.9
179.07118	2.1
180.04276	6.6
195.06644	58.8
196.06990	2.4
197.04567	0.8
209.08127	0.7
225.05685	0.7
239.07437	0.5
243.06607	1.4
257.11920	1.0
258.08649	0.6
267.06253	0.6
269.08109	0.7
270.08957	1.7
273.00446	0.9
283.09879	0.9
285.11343	1.8
295.09634	0.6
297.11325	1.0
298.08362	1.0
299.09180	1.2
299.12793	0.9
313.10764	1.2
314.07880	2.4
325.10895	1.7
326.07922	1.1
326.11420	0.7
327.12375	3.5
328.13153	8.5
329.10364	6.0
330.11017	0.7
341.10349	7.0
341.14081	1.0
343.15417	1.5
344.12720	6.1
345.13266	1.5
355.11850	0.7
356.12610	3.2
357.13391	0.8
359.15002	22.4
360.15189	1.3
371.14999	16.0
401.60992	0.6
409.16797	0.6
461.15991	0.9
463.17542	1.2
482.75214	0.6
492.17844	1.5
493.18167	0.6
507.20303	10.0
508.20386	0.7
522.19391	0.6
525.47736	0.6
535.18323	0.6
537.21362	45.1
538.21509	4.3
585.14844	0.5
585.24298	3.3
600.26599	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	1.5
69.14560	0.7
70.61755	0.8
70.62087	1.0
78.95903	2.2
79.80522	0.6
96.96961	3.5
99.00914	0.9
99.92594	57.7
100.92603	2.3
100.93398	2.2
105.57855	0.7
107.16689	0.6
111.04530	1.0
115.92088	32.5
116.92106	1.1
116.92867	9.3
125.09773	1.0
172.61574	0.7
181.08740	1.3
281.13904	1.0
349.13126	1.4
485.32779	2.7
487.34244	1.8
540.25824	1.1
541.25311	0.8
555.24103	2.3
567.24371	1.5
570.23010	1.5
585.25287	100.0
586.25568	17.0
599.23218	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	585.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	4.9
78.49849	1.2
78.95914	5.3
92.55492	1.2
96.96014	1.4
96.96957	6.8
98.22647	2.5
99.00877	3.8
99.92590	53.9
100.92626	1.6
100.93357	2.2
113.92640	2.1
115.92082	37.6
116.92126	2.6
116.92854	12.3
125.09728	1.7
145.22440	1.2
158.13582	1.3
171.75584	1.2
193.99501	1.2
384.51108	1.4
423.32959	1.5
464.85263	1.5
469.33224	11.0
470.33368	2.0
485.32584	4.1
487.34314	19.1
488.34991	2.2
523.25134	1.7
555.24341	2.4
585.25281	100.0
585.33698	5.9
586.25397	14.1
599.23682	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00175	0.8
51.45871	0.7
51.93122	0.9
59.01362	1.1
61.98831	5.8
70.56545	1.1
70.56888	1.8
71.01379	2.5
72.99321	0.9
78.95920	1.4
87.00866	1.1
93.77611	0.9
96.96975	2.8
96.99195	0.8
99.00900	1.3
99.92593	45.5
100.92661	1.2
100.93339	1.5
104.27689	0.9
111.08164	1.0
115.92082	41.3
116.92124	1.3
116.92860	25.6
125.09747	3.7
135.71439	0.8
139.07051	0.9
139.38840	0.8
163.50203	0.8
171.10281	1.8
187.09766	2.8
231.90341	0.9
250.54900	0.9
309.24377	0.9
415.23239	1.3
469.33102	4.5
470.33600	1.0
485.32816	2.6
487.34174	2.0
495.25772	1.4
509.23840	2.0
523.25092	6.4
537.23370	2.8
541.26349	2.6
555.24292	3.8
567.23895	2.7
581.22272	1.2
585.25250	100.0
586.25616	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	585.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74354	1.3
59.01382	2.6
60.71881	1.2
61.98825	4.7
62.90508	1.3
66.79443	1.2
68.99433	12.4
71.01380	9.6
72.99319	5.0
83.05036	2.2
83.26718	1.2
90.12141	1.2
96.96949	2.9
97.89765	1.2
98.21718	2.4
99.92596	44.3
100.92686	1.3
100.93377	3.5
115.00356	3.2
115.92091	59.9
116.92117	2.8
116.92865	14.6
117.93654	1.7
133.02965	2.0
161.02429	5.8
166.63516	1.3
315.64359	1.5
324.01300	1.4
371.13889	1.3
391.49020	1.5
453.33936	1.9
467.31488	1.8
469.32953	1.6
485.33789	3.7
495.25903	2.7
509.23560	5.1
511.24097	2.2
513.30878	5.0
523.25293	24.2
524.25482	3.3
537.23273	3.4
541.26263	2.3
555.24048	4.2
557.29974	2.0
567.24799	2.8
567.33398	2.9
585.25275	100.0
585.35486	7.9
586.25793	14.7
586.34839	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	585.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.9
57.03437	1.7
59.01387	29.4
61.98837	13.8
71.01385	6.6
71.29027	1.3
71.29385	0.9
72.99317	0.9
73.02934	2.8
79.70438	0.9
83.01409	1.0
85.02985	2.7
87.00886	1.2
87.04550	1.2
89.02435	3.1
92.71403	0.9
101.02443	5.9
107.05059	0.9
113.02454	3.3
121.03004	0.9
122.03769	2.5
123.04582	4.8
125.02469	2.4
137.02502	0.8
137.06093	1.0
137.09729	1.3
139.11305	32.5
140.11719	1.3
146.03795	1.5
152.00940	1.0
159.65590	1.0
164.04829	3.0
165.09221	1.6
169.01448	1.6
179.07069	4.3
181.12363	6.9
182.05823	5.2
183.08652	2.1
183.10281	41.1
184.10602	1.3
197.08209	11.7
197.11836	1.1
199.13390	2.5
206.09561	1.1
225.11348	9.9
243.12411	15.8
285.13388	4.4
327.10794	1.6
341.12430	6.8
345.15512	5.9
359.13507	2.4
385.56940	1.1
405.17712	7.8
523.14532	1.5
535.21802	0.9
567.24512	8.2
585.25592	100.0
586.25806	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	585.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.4
59.01384	21.4
60.73312	0.9
61.98838	9.2
69.03035	6.9
69.03442	1.2
71.01381	3.5
73.02941	5.6
83.01379	5.2
85.02939	1.5
87.00891	9.0
87.04511	1.8
89.02449	1.3
93.03469	1.7
98.21794	1.4
101.02464	3.8
108.02152	1.1
109.02926	1.6
111.00854	1.6
113.02467	2.2
121.02956	8.6
122.03747	3.2
123.00894	2.9
123.04530	2.8
124.01663	2.2
125.02454	13.2
135.04562	2.0
137.06096	1.1
139.11305	14.7
140.01122	1.1
149.02444	13.9
150.03242	22.1
151.00369	2.7
153.05566	0.9
158.62936	0.8
160.04057	1.0
163.04028	11.5
163.11252	2.1
164.04803	87.5
165.05585	33.0
165.07063	1.4
165.09250	1.2
166.06017	1.3
168.00609	2.8
169.01424	7.8
169.12389	1.0
178.06361	3.7
179.07149	77.7
180.04260	1.4
180.07433	2.9
181.12357	5.0
183.10271	21.7
195.06624	13.3
195.08290	1.2
196.06940	1.0
197.04523	2.7
197.11812	1.1
199.13400	1.3
211.02461	3.4
225.11278	7.9
243.12422	6.4
249.11368	1.3
255.06627	0.9
267.12357	1.1
271.04575	3.0
309.13385	0.9
313.05789	1.6
315.08868	2.0
328.13144	3.1
329.10251	1.3
341.10358	1.2
343.15854	0.9
344.12729	1.4
359.14923	5.1
371.14813	3.3
385.11432	1.3
387.16785	0.9
438.56821	1.0
461.20178	2.8
507.20145	2.9
517.20184	1.2
537.21301	12.6
538.21918	1.9
549.23224	4.6
567.24518	40.3
568.24738	3.7
585.16449	5.7
585.25446	100.0
586.17242	1.6
586.25769	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	585.2556
Annotation	Pipacycline
Peak:m/z	Relative Intensity
55.01868	1.0
55.12963	0.7
55.72912	0.7
55.79469	0.8
57.03435	2.1
58.00623	0.9
59.01382	97.3
60.01709	0.9
61.98831	11.8
66.54539	0.7
68.87505	0.7
69.09494	1.5
69.09895	5.3
71.01387	9.1
73.02949	4.5
83.01394	1.3
85.02965	5.5
89.02489	1.3
91.04929	0.7
92.36469	0.8
95.01377	1.0
96.96038	1.1
97.06613	0.8
99.00861	1.0
101.02457	6.4
104.42171	0.9
105.11095	0.8
109.02937	1.0
113.02472	3.0
116.92850	2.9
123.00887	1.9
125.02477	2.3
133.49202	0.8
137.02423	2.2
137.09746	1.0
139.03978	0.8
139.11298	26.4
140.11610	1.3
150.03123	1.2
151.00394	1.5
159.03085	0.9
161.04602	1.6
163.11302	1.7
164.04860	2.1
165.09232	2.0
168.00620	0.8
169.00208	0.8
169.01395	4.0
169.03433	1.3
173.58429	0.8
179.07220	1.8
181.12349	10.6
183.10263	42.3
184.10657	1.8
199.13399	1.0
225.11310	6.8
243.12320	2.1
261.58618	0.8
327.11124	1.0
357.26495	1.6
359.13599	2.2
475.34619	1.4
565.93262	0.9
567.24567	9.6
568.24854	1.8
585.25555	100.0
586.25818	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	585.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.7
59.01385	22.6
61.98835	26.7
69.03282	4.4
69.03710	2.4
71.01391	8.5
72.01727	0.8
72.99303	1.1
73.02947	3.4
81.03477	1.1
83.01391	4.6
85.02958	3.3
87.00889	3.5
89.02454	3.6
93.03444	2.4
95.01416	1.7
95.05029	1.2
96.96030	0.9
99.00893	1.0
101.02440	4.3
107.01374	1.9
108.02212	5.4
109.02969	3.0
111.00883	1.7
111.04543	1.2
113.02473	3.8
116.90621	0.8
116.92902	1.3
117.49654	0.9
119.03521	1.1
121.02928	3.9
123.00896	5.2
123.04531	22.9
124.01735	1.1
125.02449	15.9
126.02801	1.9
128.03510	1.1
135.04539	1.7
136.01755	1.1
137.02451	4.3
139.00421	3.1
139.04070	1.4
139.11322	7.6
140.01175	2.2
143.04805	2.0
147.04385	0.8
149.02469	3.7
150.03172	1.3
151.00349	5.2
151.04012	2.8
152.01184	5.4
153.01915	2.0
153.05582	26.6
154.05894	1.1
161.02467	1.3
161.04549	1.1
163.04057	4.7
164.04807	39.7
165.01964	3.6
165.05539	3.9
165.09293	1.3
167.03491	0.9
167.07140	1.5
167.10861	0.9
168.00667	2.9
168.07448	1.1
169.01437	16.2
170.01807	3.8
171.01959	1.8
178.06381	1.8
179.07150	35.1
180.04256	1.1
180.07469	1.5
181.05118	1.0
181.12401	1.8
183.10289	11.9
184.10583	1.1
195.06674	3.4
197.04582	1.1
197.11824	1.2
206.50700	0.9
207.10458	1.0
209.08218	1.5
211.02498	4.4
211.24620	1.1
212.02939	2.1
213.03053	1.3
225.07755	1.9
225.11273	3.9
227.07065	0.9
227.12956	3.7
243.12411	2.5
245.80856	0.9
271.04568	2.0
272.05151	1.4
272.08698	0.9
281.06641	1.1
285.04047	2.0
297.10092	1.0
305.04645	0.9
306.07816	3.0
313.05603	3.0
313.93765	1.0
315.11081	1.2
329.45258	0.9
335.13669	2.8
336.62234	0.8
357.12271	1.2
387.16638	1.4
431.19208	1.0
451.66171	0.8
461.20251	1.4
523.14777	1.4
567.24493	13.2
568.24756	1.3
585.12836	7.5
585.25385	100.0
586.12378	1.2
586.16223	0.9
586.25739	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	585.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.1
58.44017	0.8
59.01383	12.8
61.98834	54.5
69.03446	1.0
71.01398	6.3
73.02959	3.8
81.03465	0.9
83.01388	1.4
85.02966	4.1
87.00885	2.0
87.04533	1.7
88.93272	0.7
89.02471	1.5
93.03469	1.8
95.01397	3.0
96.43397	0.8
96.96057	1.1
97.02926	0.7
101.02442	3.5
107.01367	0.8
108.02184	48.9
109.02251	1.7
109.02968	32.1
111.04608	0.8
113.02447	2.2
121.03011	1.6
122.03774	0.9
123.00896	3.5
123.04559	2.8
124.23008	0.7
125.02460	5.4
128.03619	0.8
135.04501	1.8
137.02463	2.9
138.03194	1.0
139.11319	6.3
149.02444	1.7
151.00354	1.4
151.04004	1.7
152.01167	48.5
153.01961	16.3
153.05630	0.9
153.09317	0.7
155.03490	1.4
155.10794	1.2
160.04050	7.0
163.04016	3.0
164.04814	14.3
165.05510	2.4
165.09258	0.9
166.06366	1.3
168.00681	0.9
169.01442	4.1
169.12454	1.2
179.03590	1.9
179.07138	11.5
181.05032	0.8
181.12326	3.8
183.06725	0.9
183.10243	8.7
183.13940	1.8
195.31560	0.7
197.08228	2.8
209.08194	1.2
225.11366	1.6
225.14951	1.2
239.05626	1.3
243.12445	4.6
255.06689	0.8
256.07492	1.0
267.12808	0.7
267.16528	0.8
268.52975	0.8
269.17673	2.0
271.04480	1.2
271.09766	2.4
281.06763	1.2
285.13541	1.1
287.18680	15.1
313.05762	1.3
341.12247	1.1
345.15549	2.6
405.17886	1.6
423.14691	1.7
523.14758	2.5
567.23950	4.4
585.25586	100.0
586.18597	1.2
586.26068	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	585.256
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37051	1.7
54.47401	1.4
59.01381	7.9
61.98825	8.4
69.05641	2.3
69.06036	10.9
71.01373	2.5
73.02942	4.9
87.04517	5.5
93.03465	1.7
94.98013	1.4
96.96034	2.5
101.02437	7.8
107.13556	1.4
108.02145	1.9
123.00844	1.8
125.02493	7.8
125.07861	1.4
135.08159	2.4
137.02454	2.6
137.09729	18.9
149.63008	1.7
149.99573	1.7
150.03232	5.0
151.00333	2.1
153.01941	1.5
155.10791	100.0
156.11082	4.1
165.05542	5.9
168.04288	1.6
169.01202	1.5
169.12369	4.9
179.07080	1.8
179.10709	4.1
181.08710	7.5
195.06651	4.4
195.92712	1.7
199.09760	93.2
200.10109	3.1
206.85658	1.4
213.11343	3.4
231.45807	1.5
241.10806	24.6
271.11697	7.2
301.12976	24.1
318.60199	1.4
361.15067	16.3
492.59784	1.5
523.21912	5.6
541.26691	2.5
568.64398	1.7
585.25000	20.8
585.33069	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69921	1.8
59.01374	2.2
61.98838	11.5
69.23882	2.8
69.24297	7.1
78.95908	1.7
80.91696	6.7
82.95458	1.7
96.96009	3.1
98.22609	2.4
99.00841	1.8
99.92574	9.0
102.67162	1.7
115.92084	16.4
116.92867	2.4
213.81070	1.9
229.56534	1.9
283.78421	1.7
384.39157	2.1
503.33810	100.0
504.34229	11.4
555.23798	1.9
585.24945	11.0
585.34155	65.2
586.34204	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	585.3954
Annotation	3-(E)-Coumaroylbetulinaldehyde
Peak:m/z	Relative Intensity
50.17444	0.4
62.38136	0.5
63.79676	0.5
64.65412	0.7
98.22633	1.1
117.03472	20.8
119.05038	2.2
121.02963	3.0
123.04500	0.6
134.03677	0.6
145.02965	53.2
146.03285	1.5
162.03264	0.9
164.20171	0.6
381.88998	0.6
585.39520	100.0
586.39807	13.3
602.64386	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	6.8
61.98826	16.8
65.45946	5.3
69.61095	5.3
71.01379	7.4
74.17474	5.6
81.18731	5.2
86.10665	5.7
88.19846	4.7
97.02888	6.7
107.01395	7.9
120.72810	5.2
122.45966	5.7
123.00912	9.8
125.02460	48.2
125.06275	4.7
137.02498	7.5
139.04036	27.8
150.03207	10.5
152.01202	5.4
165.09180	16.9
167.03470	9.4
169.01434	75.6
181.05013	11.7
200.20575	5.9
209.08144	37.4
225.89125	5.9
236.50124	5.1
271.04593	8.3
290.36002	5.8
313.05716	33.4
523.14569	100.0
524.15112	12.6
586.24994	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	586.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01691	0.4
59.01371	0.4
60.50063	0.4
61.98836	100.0
69.29803	0.4
70.16285	0.3
71.29131	0.5
95.51588	0.4
96.96024	0.4
101.97824	0.4
108.89049	0.4
109.02980	0.5
123.00954	0.7
123.04549	0.6
125.02433	1.8
136.82863	0.4
137.02478	1.0
139.00450	0.4
146.08253	0.4
150.03275	0.5
151.04045	0.5
167.03474	0.4
169.01472	1.3
177.01984	0.5
195.06792	0.4
300.99814	0.5
323.20035	0.4
327.07300	0.4
586.13171	0.8
586.25848	0.9
587.23578	0.9
599.86267	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95847	1.0
59.01373	1.2
61.98836	16.7
68.99854	8.0
75.22520	0.9
75.46580	1.2
82.19286	0.9
96.96033	1.4
96.96992	1.0
99.92594	3.3
115.92091	6.0
116.92128	1.3
116.92899	2.8
159.26640	1.0
221.99487	1.0
233.05229	0.9
302.78442	0.8
356.01785	0.9
379.30157	3.4
395.33224	4.3
413.34091	2.7
423.29031	18.4
423.34296	1.2
424.29514	2.1
439.32202	31.1
440.32797	3.5
457.33179	13.7
458.33563	2.9
483.30978	7.7
484.31635	0.9
501.32224	100.0
502.32532	15.8
523.30432	5.0
524.30566	1.8
539.27765	1.4
586.30005	57.8
587.30237	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	586.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
60.89283	9.7
61.98838	73.6
63.24323	8.8
69.02818	89.7
75.27485	8.8
94.30279	9.6
96.96981	11.5
97.63021	10.5
97.95713	9.0
99.00903	15.0
99.92583	50.1
115.92086	100.0
116.92116	12.3
116.92896	28.0
128.46129	10.6
150.69482	9.5
225.26077	9.6
327.92853	12.3
439.31625	16.5
457.33423	30.6
485.32556	13.9
487.34280	14.5
488.34796	23.0
491.16220	11.5
501.32541	70.7
586.30542	49.1
587.26508	61.1
587.36609	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	587.105
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55973	0.6
59.01389	1.3
60.58541	0.6
61.98859	1.7
65.67845	0.5
69.03479	2.1
71.01404	1.8
79.01913	0.8
80.05212	0.6
80.91705	1.7
81.03458	0.8
81.37016	0.5
83.01411	0.8
83.07047	0.5
85.02978	0.9
93.03490	1.3
95.01420	0.8
96.96027	1.4
97.02979	1.6
98.21760	1.5
98.46693	0.5
101.02516	0.8
103.61280	0.5
107.01404	10.9
107.05066	1.3
109.02959	1.4
111.00900	1.2
121.02978	14.1
122.03770	1.9
123.00903	5.4
123.04560	0.9
124.01690	1.1
125.02463	69.2
126.02837	1.7
133.03033	0.9
134.03757	0.6
135.04585	1.6
137.02452	3.3
139.00398	1.9
140.01210	1.0
147.04533	0.8
149.02441	3.9
149.06145	1.0
150.03256	11.7
151.00348	3.7
151.04018	1.4
159.04588	1.2
161.06082	0.6
164.04837	0.6
165.01968	1.3
165.05592	10.2
167.03551	1.1
168.00720	1.6
169.01443	100.0
170.01791	2.6
171.51003	0.7
177.01941	0.7
179.03577	0.7
179.07051	0.7
180.04288	0.7
180.07938	1.3
183.43929	0.6
189.05621	0.6
193.01431	1.2
195.03030	0.6
195.06648	5.8
197.04575	0.7
201.05470	0.8
202.05869	0.7
211.02475	1.4
213.57552	0.6
229.08669	2.2
243.06546	5.0
244.06958	3.4
245.07176	1.7
255.06612	2.5
273.07611	1.0
305.06522	0.6
313.05594	1.7
376.15262	0.7
391.17633	6.8
417.08270	16.7
418.08194	0.8
435.09039	2.2
531.94751	0.7
539.22778	5.5
543.14874	1.4
587.10156	26.8
587.25580	3.7
588.11005	2.0
595.05334	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	13.3
60.99315	17.3
69.05124	12.2
69.05549	6.3
73.81929	1.9
88.98814	100.0
98.21796	4.7
107.01409	2.6
123.00928	5.0
125.02451	18.5
139.00414	2.9
140.01234	2.4
151.00443	4.9
153.01962	7.7
168.00682	5.3
168.04297	8.5
169.01413	26.1
183.02982	6.4
205.40869	2.0
217.01358	2.3
247.78442	2.1
251.56680	2.3
263.84213	2.5
274.91724	2.1
300.99863	2.4
313.05652	8.9
497.05725	4.3
497.13055	87.0
498.13193	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	587.1426
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.1
59.01389	8.5
59.39352	0.7
59.44418	0.8
61.98836	19.2
65.00337	0.7
67.01878	1.3
68.99770	0.8
69.03442	0.9
71.01387	4.7
71.07211	0.7
72.99290	1.1
73.02927	0.7
79.01912	1.3
81.03464	1.3
83.01383	0.9
85.02970	0.9
87.00892	1.7
88.74963	0.8
89.02451	1.6
95.01398	3.6
96.96040	1.4
97.02953	1.1
101.02453	2.8
104.21399	0.7
107.01398	14.0
109.02982	0.9
111.00889	3.1
113.02486	1.0
120.84091	0.7
121.02960	1.5
123.00906	15.0
123.04552	1.2
124.01679	2.5
125.02460	46.1
135.04527	1.0
136.98822	2.2
137.02480	1.5
139.00389	6.0
139.11258	1.8
140.01167	5.5
141.01942	2.4
149.02487	2.0
149.57828	0.7
150.03221	1.5
150.18169	0.6
151.00371	13.1
151.04008	1.8
156.71674	0.6
161.02402	0.9
163.04024	2.3
164.04782	9.0
165.01965	0.8
165.05222	4.8
166.05473	1.3
166.07962	0.6
167.03488	0.8
168.00636	7.3
169.01440	49.9
170.01761	1.7
177.01990	0.8
179.03554	0.9
179.07126	5.4
180.07489	2.8
181.07576	0.8
183.10269	2.2
195.06691	1.1
211.02444	3.0
216.89651	0.7
268.92706	0.9
271.04663	2.9
313.05740	2.3
361.15701	0.8
387.11945	0.8
417.12259	1.2
435.12991	41.6
436.13382	3.5
539.22839	1.1
568.24786	1.5
569.25427	5.1
586.25903	3.8
587.14154	100.0
587.25659	16.7
588.14581	11.5
588.41852	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	5.9
59.01373	2.9
61.98824	2.8
65.00315	1.1
66.11607	0.5
67.01875	0.9
68.99812	0.6
69.03437	0.6
70.12713	0.5
71.01384	3.8
71.29868	0.9
72.99291	0.9
77.25848	0.6
79.01868	0.7
81.03459	8.9
82.95421	17.6
83.01402	5.4
85.02953	1.3
93.03460	4.0
95.01400	1.7
95.05022	1.9
97.02940	1.1
101.02436	1.5
107.01395	8.7
107.05016	0.8
109.02935	1.7
111.00893	1.3
113.02461	1.7
117.93458	0.7
119.05027	8.0
121.02975	1.8
123.00884	6.4
123.04534	21.8
124.01712	1.1
125.02454	100.0
126.02789	1.5
127.00377	0.6
135.04497	0.7
136.01634	0.6
136.98839	0.9
137.02455	2.4
139.00381	2.4
139.04010	1.4
140.01163	2.2
149.02467	5.6
150.03215	2.1
151.00391	8.9
151.03995	1.4
152.70959	0.7
153.02010	1.4
161.02493	0.8
161.06076	0.6
163.03996	1.0
165.01950	0.8
165.05577	4.7
165.09523	0.6
166.02663	0.6
166.06424	1.8
167.03505	56.9
167.07138	2.0
168.00702	3.5
168.03860	1.9
169.01433	77.4
170.01752	2.3
177.02014	0.9
179.03490	4.8
181.08673	1.0
189.05569	3.8
191.03535	2.0
195.06709	0.9
199.09798	0.8
211.02463	8.2
217.90405	0.7
229.08835	1.4
241.03539	2.8
271.04620	6.3
273.07693	26.6
274.08038	2.0
297.07632	1.0
301.00058	1.0
313.05655	60.6
314.05972	3.0
329.13950	0.8
387.16605	2.4
434.93558	0.6
435.13220	1.1
439.08807	63.7
440.08978	4.1
543.09576	0.8
587.14136	78.5
588.14600	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	587.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	4.7
59.01373	4.0
60.99304	7.3
61.98811	5.0
70.75968	3.7
71.01394	2.8
81.03458	10.1
83.01397	3.1
85.02971	1.9
88.98808	41.7
89.02432	2.6
93.03449	9.6
96.96051	2.1
104.59365	1.6
107.01379	7.4
109.02934	2.1
119.05052	8.2
121.02946	2.6
122.03761	5.3
123.00887	7.1
123.04540	26.0
125.02460	69.3
134.03737	2.3
135.04523	2.0
136.98915	2.0
137.02460	17.4
137.99167	1.7
139.00447	2.8
139.04079	2.6
146.03703	2.5
147.04576	2.8
149.02457	11.8
149.06062	1.9
150.03241	48.3
151.00407	7.1
151.04059	2.0
155.10800	10.6
162.03270	2.2
165.02000	2.9
165.05594	49.9
167.03508	66.4
168.00699	2.6
168.04045	1.9
169.01450	47.9
179.03519	5.4
180.04308	3.5
181.05052	2.5
181.08638	2.3
191.03502	6.1
195.06638	29.6
199.09848	4.7
202.02794	1.8
211.02466	9.0
252.07985	2.0
269.04410	2.7
271.04568	5.4
273.07727	38.7
297.07593	3.7
313.05679	23.7
391.17648	15.8
439.08948	6.5
449.11398	2.2
467.12225	3.2
539.22894	3.7
551.23236	2.0
587.14142	100.0
587.30640	16.3
588.14545	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	6.4
59.01384	11.7
61.82092	0.7
61.98834	4.9
69.03472	1.2
70.71342	0.7
71.01398	3.8
71.05022	1.2
71.28230	1.2
73.02941	1.7
75.79842	0.7
78.91861	1.1
80.91705	1.0
81.03455	2.4
83.01387	5.4
85.02958	1.8
87.00887	1.2
89.02464	1.4
91.89129	0.8
93.03471	1.8
95.01402	1.1
95.05013	2.4
97.02972	5.1
101.02438	2.6
108.02193	1.5
109.02960	21.6
111.00875	2.1
113.02437	1.8
120.88164	0.7
121.02980	7.9
122.03719	1.4
123.00895	1.2
123.04530	11.1
125.02464	37.8
126.02901	1.0
133.02991	1.3
134.03760	7.0
135.04536	8.4
136.01689	2.5
136.56723	0.7
137.02467	17.1
138.03221	1.6
139.04051	4.3
139.11264	1.5
145.02968	7.5
146.03738	2.1
147.04568	1.6
148.05333	1.1
149.02448	11.7
149.06111	1.8
151.04016	11.9
153.02014	1.0
157.06482	0.7
159.04530	4.1
160.05313	1.8
161.02481	1.4
161.04710	1.2
161.06090	6.8
162.03308	1.0
163.04013	1.3
164.01204	2.3
164.04813	13.9
165.01941	7.4
167.03557	1.1
169.01393	3.2
172.46249	0.7
173.06042	0.9
175.04024	1.8
175.07623	1.5
177.02080	0.9
179.03596	5.2
179.05719	1.8
179.07158	10.5
180.07388	0.8
183.10330	1.0
185.06099	3.0
187.04041	4.3
188.04785	2.8
193.04987	0.9
197.06194	0.9
199.07648	0.7
201.05606	1.5
202.06375	1.7
203.07143	10.8
205.05084	7.4
212.04878	0.9
212.06882	1.1
213.05632	1.3
213.07736	0.8
215.12712	0.8
217.05196	0.8
221.08188	5.4
224.04887	0.9
225.05644	0.7
227.07138	2.6
227.09302	3.8
229.04991	0.9
230.02188	0.8
238.06429	2.5
239.07201	3.5
240.04388	1.0
241.05011	4.0
245.08226	14.7
247.06247	1.1
253.05080	4.7
254.05820	1.6
255.06645	8.0
256.07425	14.4
271.06146	8.5
271.09766	18.3
289.07214	95.1
290.07529	4.8
300.06378	5.9
300.99847	1.1
315.08765	100.0
316.09161	5.2
343.15558	1.6
350.11325	1.2
365.13782	2.5
421.13058	1.8
425.19675	1.2
437.12402	2.1
449.12494	2.4
586.25659	1.5
587.15680	4.3
587.30518	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.4
59.08261	0.7
61.98835	1.5
62.82473	0.9
93.03473	5.8
95.01428	1.2
95.05019	1.1
104.23449	0.7
109.02952	2.1
116.92872	1.2
121.02972	19.9
122.03775	13.2
123.00896	1.3
123.04539	2.2
124.01679	1.4
125.02457	6.3
132.02200	1.3
133.02997	1.1
135.04561	1.2
136.01649	1.5
137.02454	1.4
149.02455	59.8
150.03242	86.8
151.03702	3.3
164.04794	11.2
165.05585	100.0
166.06364	56.9
167.03603	1.0
167.07127	6.3
169.01456	7.2
177.01944	3.1
179.03511	1.0
180.04311	6.2
181.05162	1.5
181.08722	47.1
182.09030	1.7
189.01997	2.5
190.02737	0.9
195.06645	59.3
196.07047	3.0
209.08192	1.4
217.01462	1.2
244.28407	0.8
250.32765	0.7
273.07669	1.0
313.05701	0.9
341.06769	2.4
342.11331	1.1
343.12000	1.9
357.13467	14.9
391.17667	1.9
392.61411	0.8
435.10687	4.2
524.20782	1.5
539.22913	54.2
540.23303	5.2
587.14349	1.7
587.26770	3.0
588.26013	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94205	0.4
56.96592	0.5
62.21904	0.5
69.04601	2.1
69.05019	1.9
78.52892	0.4
93.03466	4.1
109.02943	0.5
121.02972	7.9
122.03757	13.3
122.04665	0.7
125.02509	0.7
133.02954	1.7
135.04558	0.8
136.01691	1.1
139.88676	0.5
149.02452	19.0
150.03241	86.1
151.03653	1.9
164.04848	3.0
165.05585	100.0
166.06360	19.8
167.07106	1.5
169.01425	0.5
179.03421	0.5
180.04308	6.6
181.07109	1.0
181.08717	19.2
182.09056	0.8
195.06642	67.8
196.06992	2.0
209.08234	0.8
243.06653	0.9
255.62579	0.5
357.13495	1.5
391.17642	1.3
539.23077	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	587.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05633	0.3
54.54010	0.3
61.98833	4.0
64.70405	0.3
71.96342	0.3
78.95901	0.8
96.96977	1.4
97.22903	0.4
99.00884	0.8
99.92593	10.9
100.92696	0.8
100.93372	3.2
101.02420	0.5
113.92659	0.5
115.92085	100.0
116.92089	3.2
116.92873	5.8
125.09699	0.8
132.92361	1.3
144.92465	0.4
145.02911	0.6
158.28529	0.3
331.25204	0.5
485.32877	0.4
487.34430	3.5
488.34821	0.5
489.35074	1.2
525.26416	0.8
569.25830	0.5
571.23541	1.6
587.26819	57.3
588.27100	9.2
601.24792	9.0
602.24670	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63908	0.5
57.31007	0.5
59.01379	4.0
61.98833	2.9
63.37883	0.5
69.28653	2.9
70.98760	0.6
85.02958	1.0
96.96991	1.0
97.06585	0.5
99.00902	1.0
99.92596	37.1
100.92657	1.2
100.93391	2.1
111.04554	1.1
115.92087	46.5
116.92087	1.5
116.92886	5.2
123.08224	0.6
125.09777	0.9
145.02998	0.6
156.96022	0.8
179.07129	0.9
181.08719	3.8
181.96843	0.7
183.06625	1.4
195.06662	1.5
197.08345	0.5
201.11261	0.7
205.05141	0.8
209.08165	1.5
222.96425	0.5
225.07736	2.3
231.37369	0.6
259.06232	0.6
397.31189	1.8
441.33807	0.6
467.31802	1.5
487.34210	4.2
488.35175	0.8
489.35437	2.4
513.23499	1.1
514.24030	1.0
536.55859	0.6
541.23895	0.8
555.24323	0.8
569.26050	5.0
573.25433	1.1
587.26917	100.0
588.27209	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	587.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63660	1.1
56.97699	1.1
59.01365	2.8
59.40127	1.2
61.98830	7.9
66.47237	1.1
69.22153	7.5
71.01372	3.5
72.99291	1.6
79.59892	1.2
87.65681	1.2
99.92591	56.9
100.92596	1.3
100.93335	1.6
109.19321	1.1
115.92085	45.1
116.92871	57.4
125.09697	1.4
145.02910	3.7
161.02466	2.0
169.93129	13.4
171.94672	6.4
221.54982	1.2
371.52029	1.2
471.34854	6.6
487.33948	3.7
529.35559	6.3
569.25281	3.3
569.33832	1.8
587.26532	100.0
588.27142	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	587.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99311	17.3
61.98828	3.1
70.97353	1.1
71.29829	1.8
76.24778	1.1
82.01875	1.2
88.98814	100.0
89.02450	9.9
89.33333	1.1
106.53231	1.1
109.02948	2.8
116.92905	2.5
121.02977	1.6
122.03731	6.1
123.04578	1.8
124.01625	1.3
125.02473	5.6
137.02460	3.6
145.14594	1.2
149.02467	12.0
150.03255	29.7
151.03960	1.9
161.02400	1.4
163.98268	1.2
164.04788	3.4
165.02109	1.3
165.05586	36.4
166.06235	2.5
167.03558	1.7
169.01413	4.5
179.07297	1.7
180.04315	4.1
181.05067	4.8
181.08647	2.5
182.05830	2.6
195.06648	22.3
196.07373	5.4
197.08217	3.3
211.09741	4.6
327.12256	1.4
539.22998	8.0
543.09332	1.7
587.26349	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	587.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.5
59.01376	1.1
63.36780	0.8
66.23762	0.8
70.77338	1.1
70.77693	1.6
71.05014	1.7
77.84714	0.9
83.05035	0.9
85.06598	5.7
87.04496	1.3
93.03479	1.5
95.05036	0.9
107.05016	2.0
109.02965	0.9
109.06616	5.0
109.86017	0.9
111.04529	26.4
111.08167	0.9
113.09756	5.0
117.03503	0.9
119.09060	0.8
120.05872	0.9
121.02932	1.1
121.06585	5.0
123.08166	5.0
125.09833	1.0
127.07671	1.2
135.08159	3.8
138.03244	1.2
139.04010	1.6
145.02940	1.5
149.09727	1.6
150.06873	1.1
153.05653	1.0
153.09213	1.5
163.11267	2.9
165.01981	1.7
165.09206	9.1
166.02829	4.8
177.09232	12.9
179.07010	1.1
179.10622	1.2
181.08707	29.6
181.97997	1.1
191.07204	1.0
193.08710	1.0
195.06628	2.6
195.10268	10.8
195.41927	1.0
197.08234	1.2
207.06630	2.7
208.07413	9.1
209.08238	6.6
219.06616	1.4
221.08246	1.4
233.08282	0.9
243.30507	0.9
245.15453	1.3
247.09732	12.7
248.10129	1.1
261.11298	1.1
262.12067	1.3
263.09164	1.5
263.12851	2.2
265.10803	6.3
281.10358	3.1
289.14264	1.1
351.14493	100.0
352.14905	5.8
378.93607	0.9
389.19479	1.1
405.19235	36.0
406.19525	1.9
587.28729	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	1.0
59.01373	2.0
71.05029	1.7
85.06593	4.6
87.04521	1.8
93.96394	1.1
95.05051	2.0
109.06596	4.0
111.04529	21.3
113.02437	1.1
113.09727	4.5
121.06620	4.9
123.08180	1.8
135.03656	1.1
135.08171	3.2
137.02417	1.2
139.04033	2.1
145.02979	3.7
147.08179	1.3
149.06049	1.2
150.56027	1.4
150.77382	1.1
163.11348	1.9
163.29179	1.0
165.01877	2.4
165.09216	10.2
166.02710	2.3
169.05086	2.2
177.09233	10.2
179.07184	1.7
179.10866	1.1
181.08714	30.6
182.08987	2.0
183.06659	1.7
195.06688	2.2
195.08749	1.5
195.10242	7.5
197.08185	2.4
207.06689	2.1
208.07451	7.9
209.08258	8.4
219.13834	1.6
221.08289	1.8
223.09790	1.5
225.29228	1.2
245.15425	1.5
247.09727	6.5
261.11514	1.5
262.12228	1.9
281.10321	1.7
341.63855	1.1
351.14511	100.0
352.14777	6.1
399.18344	1.6
405.19208	20.7
406.19382	1.8
450.12576	1.1
580.75507	1.1
587.28333	3.3
587.37085	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	587.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32041	1.9
51.04197	1.8
57.03446	7.5
59.01385	3.1
61.98836	12.0
66.52103	2.0
70.59105	3.8
70.59447	3.6
71.01382	3.6
72.99275	2.1
83.05032	13.2
87.00961	1.7
89.23733	2.1
96.96996	3.5
97.06584	13.9
99.92585	21.8
109.06606	3.4
111.08166	55.1
111.08920	4.0
115.92085	56.7
116.92124	3.6
116.92874	9.6
123.08192	7.2
125.09731	100.0
126.10032	3.0
145.02974	5.9
169.08702	3.3
173.08192	42.5
180.92508	1.9
187.08096	4.5
187.09769	76.1
209.65303	2.1
215.55847	2.1
243.12299	3.7
247.11911	8.0
261.13364	9.9
417.21292	26.9
431.22971	11.6
471.34814	4.0
487.34116	6.8
489.35614	8.2
587.31116	86.1
588.29980	12.6
601.24628	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.375
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18387	0.8
54.75645	0.8
55.02926	0.7
55.40172	0.8
58.55786	0.8
68.54614	0.8
69.12936	0.7
70.99647	1.3
72.22858	0.8
133.02060	1.3
133.02977	14.7
134.03734	2.6
135.04509	4.1
137.02402	3.2
139.04048	1.3
161.02461	39.3
178.02727	1.1
179.03473	1.4
474.77457	0.9
535.62885	0.9
587.37439	100.0
588.37683	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	587.4111
Annotation	3-(z)-caffeoyllupeol
Peak:m/z	Relative Intensity
59.42572	0.2
64.72776	0.2
67.16750	0.2
69.72620	0.9
78.95911	0.3
89.04031	0.2
116.61609	0.2
117.03476	25.0
118.03775	0.4
119.05037	3.2
121.02966	3.5
123.04546	0.9
133.02969	2.2
134.03789	0.9
135.04486	0.5
137.02463	0.4
145.02966	65.7
146.03342	1.7
161.02457	3.9
162.03242	0.7
163.04028	0.8
171.10216	0.2
179.03520	0.2
193.55533	0.2
279.23413	0.3
587.41193	100.0
588.41565	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	588.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	15.3
61.98822	100.0
69.72660	28.8
76.56761	13.7
82.95419	16.7
85.02922	15.0
96.96008	24.9
99.92599	32.2
115.92097	46.0
116.92126	21.0
116.92873	33.9
144.89125	13.4
145.50203	15.3
146.85094	15.5
282.40613	18.0
305.55746	15.7
400.24023	16.3
435.04071	17.2
445.96011	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	589.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.7
61.98823	1.0
65.00332	0.8
67.01891	1.2
69.03442	1.5
69.17371	3.2
71.01385	3.4
72.99303	0.8
73.02941	0.8
75.29270	0.4
79.01890	1.1
81.03447	1.4
83.01397	1.0
85.02956	1.6
87.00890	0.8
95.01389	2.4
97.02965	1.8
101.02461	1.8
107.01398	13.6
108.02192	5.9
109.02972	1.2
110.00131	0.5
111.00880	4.9
113.02476	1.7
121.02962	0.6
123.00892	10.1
123.04531	4.5
124.01674	2.9
125.02459	68.6
126.02802	1.6
127.00381	1.1
135.04576	0.5
136.98885	2.1
137.02446	1.2
139.00369	5.4
139.03975	0.8
140.01170	4.8
140.78107	0.5
141.01935	1.5
149.02489	0.5
151.00391	8.3
151.04022	0.6
153.01964	1.1
154.99936	0.8
155.45007	0.5
155.64299	0.4
161.02510	0.7
161.04578	0.8
161.59235	0.4
165.01892	0.7
165.05553	0.7
166.99904	0.7
167.03548	0.6
168.00659	6.5
169.01436	72.9
169.97899	0.4
170.01804	2.0
175.03943	0.7
179.03523	1.1
181.01480	0.5
181.05017	0.6
183.03030	1.0
187.03963	0.5
193.01443	0.8
193.05106	0.5
201.11182	0.6
211.02528	0.9
212.14732	0.5
237.04089	1.0
241.03629	0.7
253.03427	0.9
289.07047	0.5
295.04645	1.0
295.36813	0.5
313.05655	12.4
314.06064	0.6
315.01852	0.6
345.74738	0.5
383.00464	0.6
391.26886	0.7
408.11456	0.5
413.08789	1.6
419.09888	1.2
437.10883	30.2
438.11218	2.5
465.06909	1.4
589.12006	100.0
590.12378	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	589.139
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	1.9
68.69585	0.5
79.66265	0.6
79.95304	0.7
79.95741	6.9
83.68578	0.5
84.45640	0.4
91.01917	0.4
96.96018	100.0
101.57172	0.4
107.37173	0.5
110.97587	5.8
111.03381	0.4
117.54565	0.5
117.79945	0.5
123.04546	1.4
129.91156	0.4
136.01566	0.4
151.04099	0.4
167.03491	1.8
285.67520	0.5
439.10721	2.0
449.12292	0.8
464.15125	0.8
479.17361	0.6
589.13867	35.1
590.14368	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	589.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28557	0.5
51.79475	0.5
55.36196	0.5
58.11876	0.5
59.01381	3.4
61.98816	1.4
71.01398	0.8
71.29532	0.5
71.29945	0.6
79.48106	0.4
79.95744	8.4
81.57449	0.4
82.29303	0.4
84.26672	0.5
85.21076	0.5
85.62891	0.5
89.02414	0.7
93.56012	0.5
95.95237	2.1
96.96014	100.0
108.02177	0.9
110.97578	3.5
111.00878	3.5
121.27839	0.4
123.00819	0.7
123.04513	0.7
124.01665	2.1
125.02476	0.9
137.02473	1.1
139.03998	0.7
150.03168	0.8
152.01158	1.1
152.61971	0.5
163.00653	0.7
165.02003	1.0
166.06383	0.5
167.03514	1.3
169.01457	0.6
181.05122	0.5
206.13962	0.5
225.11313	2.0
287.05850	0.5
289.07202	0.7
305.06915	2.6
449.11151	2.1
500.24026	0.5
522.71582	0.6
589.15967	59.2
590.16333	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	589.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61562	0.9
59.01377	0.9
61.98803	3.9
69.03411	1.0
71.01373	1.1
71.28326	1.4
83.05008	1.2
85.02930	1.9
99.00868	2.4
99.92593	38.2
100.92668	0.9
100.93378	4.7
106.62444	1.0
111.04504	1.1
115.92085	46.9
116.92147	2.3
116.92831	8.4
125.09727	2.4
181.08664	3.1
187.09743	1.6
207.06796	1.4
222.00362	1.1
225.07599	3.0
304.76303	1.1
369.74780	0.9
395.29355	2.4
442.27725	1.0
471.30765	1.4
473.31891	1.0
489.35651	1.4
497.23517	1.7
515.24738	2.1
517.33813	5.8
525.22510	2.8
527.24646	1.6
541.22290	2.2
553.22882	8.6
555.39380	1.0
571.23773	8.8
572.23993	1.7
588.38348	1.0
589.24573	100.0
590.25018	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	589.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83848	1.1
61.98825	3.8
71.28698	1.4
73.02940	1.6
83.08174	1.1
83.25444	1.1
85.02998	2.0
85.06573	1.4
95.05016	1.7
99.92609	1.7
109.02940	1.6
111.04517	3.3
111.08131	1.8
113.02420	1.5
115.92018	1.7
121.02953	1.4
125.02434	1.9
125.06149	1.4
127.93906	1.1
136.24825	1.2
139.04053	2.9
145.03021	3.5
152.99736	1.3
153.72322	1.2
165.05432	1.5
165.09216	2.2
167.03470	2.0
179.07137	2.5
181.08733	11.3
183.06596	2.5
195.06636	2.1
197.08229	2.5
206.77759	1.4
207.06543	2.0
209.08264	4.5
210.96375	1.4
225.07701	5.6
233.08046	2.8
244.10529	1.1
248.10516	2.8
259.13358	3.6
263.12933	3.1
284.07065	1.5
298.08484	2.7
299.09064	1.5
312.06573	1.5
314.97385	2.1
324.15500	1.4
325.15234	1.3
327.08902	3.2
329.17490	2.2
369.13492	3.9
383.15051	5.7
393.13644	6.6
395.14914	1.8
411.14517	100.0
412.14874	9.3
423.14511	2.6
427.21408	1.8
441.15567	12.7
457.33948	1.4
469.22314	76.9
470.22641	6.5
499.23276	8.3
500.24295	1.4
515.33911	1.8
589.26587	73.1
589.35809	4.2
590.26520	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	589.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
60.68423	0.4
79.37701	0.4
98.21655	0.5
98.88334	0.5
99.14822	0.7
99.92597	0.7
109.02976	1.0
113.97787	0.4
125.06084	0.7
145.02946	0.6
181.08730	1.1
193.08601	0.7
195.06645	0.6
197.08141	0.9
209.08141	0.6
233.08078	0.5
248.10837	0.5
259.13412	1.1
284.06998	0.4
285.07651	1.6
297.03986	1.4
311.05624	1.9
329.17538	0.7
351.12344	5.8
354.11111	0.7
365.13846	0.5
369.13434	89.8
370.13794	7.9
383.14981	1.2
393.13507	1.6
411.14499	13.7
411.19705	0.9
412.14810	0.8
427.21262	100.0
428.21646	7.6
441.15701	0.8
451.21625	0.8
469.22247	9.3
470.22711	1.1
501.28098	0.8
549.22614	0.4
589.26593	23.2
589.34113	0.9
590.26703	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	589.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73693	0.2
55.01812	0.3
59.01321	0.5
61.98748	0.7
71.28161	0.3
71.28519	0.3
73.02883	0.5
78.39909	0.3
81.03363	0.3
87.04488	0.3
99.14754	0.4
106.96519	0.2
109.02889	0.6
109.06589	0.4
111.04453	0.6
115.03971	0.3
115.92037	0.6
116.92784	0.3
125.05996	0.6
139.00281	0.3
157.70514	0.2
181.08694	1.4
182.05760	0.7
197.06606	0.3
197.08182	3.6
209.08109	0.4
216.07811	0.5
221.08102	0.6
225.07639	0.4
259.13397	2.3
263.12823	0.5
285.07700	1.7
286.11911	0.5
298.04843	0.9
311.05804	1.6
329.17511	2.0
336.10104	0.3
339.14774	0.6
343.15308	0.3
351.12375	2.3
354.11008	0.9
354.89023	0.3
355.11896	2.4
365.13922	0.6
369.13428	87.9
370.13766	6.4
391.17664	0.6
411.14514	0.3
427.21265	100.0
428.21588	9.0
469.22559	0.5
472.32016	0.5
473.33154	0.5
501.28247	1.7
515.33746	1.9
545.27533	0.4
589.26715	8.9
589.36603	1.2
590.20502	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83848	1.1
61.98825	3.8
71.28698	1.4
73.02940	1.6
83.08174	1.1
83.25444	1.1
85.02998	2.0
85.06573	1.4
95.05016	1.7
99.92609	1.7
109.02940	1.6
111.04517	3.3
111.08131	1.8
113.02420	1.5
115.92018	1.7
121.02953	1.4
125.02434	1.9
125.06149	1.4
127.93906	1.1
136.24825	1.2
139.04053	2.9
145.03021	3.5
152.99736	1.3
153.72322	1.2
165.05432	1.5
165.09216	2.2
167.03470	2.0
179.07137	2.5
181.08733	11.3
183.06596	2.5
195.06636	2.1
197.08229	2.5
206.77759	1.4
207.06543	2.0
209.08264	4.5
210.96375	1.4
225.07701	5.6
233.08046	2.8
244.10529	1.1
248.10516	2.8
259.13358	3.6
263.12933	3.1
284.07065	1.5
298.08484	2.7
299.09064	1.5
312.06573	1.5
314.97385	2.1
324.15500	1.4
325.15234	1.3
327.08902	3.2
329.17490	2.2
369.13492	3.9
383.15051	5.7
393.13644	6.6
395.14914	1.8
411.14517	100.0
412.14874	9.3
423.14511	2.6
427.21408	1.8
441.15567	12.7
457.33948	1.4
469.22314	76.9
470.22641	6.5
499.23276	8.3
500.24295	1.4
515.33911	1.8
589.26587	73.1
589.35809	4.2
590.26520	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	589.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99829	1.7
79.68845	0.7
92.14848	0.7
98.22533	1.9
109.06620	1.8
111.04526	5.1
113.09721	2.2
119.99673	0.7
133.06606	1.1
142.30699	0.8
151.07660	2.3
152.00996	0.7
152.99622	0.8
153.01917	0.8
168.04341	0.7
177.05598	2.2
178.99852	3.0
179.03546	2.2
179.07114	0.9
181.08722	12.6
195.06633	3.1
205.05043	3.5
206.02193	1.3
221.04564	20.5
223.06125	100.0
224.06458	3.2
234.05521	1.0
249.07726	2.6
263.09280	1.8
264.09799	0.8
265.10672	1.7
275.09271	1.3
277.10831	11.5
296.09357	0.8
353.16132	6.1
457.18976	1.1
459.20230	12.5
460.20740	0.9
589.30249	8.3
590.30090	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3905
Annotation	Unknow
Peak:m/z	Relative Intensity
64.66850	1.2
69.60757	4.3
69.61171	2.9
73.15087	1.8
73.88064	1.3
77.05657	1.2
78.59856	1.5
78.95922	1.9
95.04895	1.4
97.27493	1.3
109.50356	1.5
117.03480	32.5
118.73112	1.7
119.05019	4.9
121.02963	16.3
123.04538	6.2
133.02977	4.3
134.03775	4.1
145.02966	77.5
145.86217	1.5
161.02455	7.5
162.03221	10.5
163.04030	4.0
170.74783	1.6
181.11609	1.7
285.15027	5.7
351.19736	2.0
353.21228	3.3
365.21304	3.6
366.22034	2.5
367.22821	7.0
404.49753	1.6
421.27444	4.7
435.29297	3.3
475.28571	3.0
489.29886	25.9
490.30560	5.2
543.34973	7.2
544.34900	2.3
557.36218	15.5
558.36615	2.4
572.38916	8.2
589.38983	100.0
590.39252	13.1
604.37256	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	589.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
60.34373	0.3
76.99532	0.3
85.08949	0.3
87.51433	0.3
94.22459	0.3
96.36098	0.3
98.22559	0.6
100.81641	0.3
117.03482	0.4
121.02918	0.3
122.53432	0.3
129.87376	0.3
132.02184	0.6
133.02965	12.7
134.03760	3.9
135.04549	4.4
137.02460	3.0
139.04025	0.7
161.02455	35.0
162.02815	0.8
178.02722	0.8
179.03516	1.9
210.75410	0.3
379.41928	0.3
459.11081	0.4
512.64172	0.3
589.39001	100.0
590.39368	13.0
604.92523	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3903
Annotation	Unknow
Peak:m/z	Relative Intensity
69.11201	0.6
69.11607	2.6
69.45138	0.4
71.51166	0.3
117.03474	2.0
121.02949	1.2
123.04510	0.5
132.02161	0.6
133.02965	12.2
134.03780	2.8
135.04529	3.7
137.02437	2.3
139.04030	0.6
145.02992	4.2
161.02455	31.9
162.02933	1.1
178.02750	0.7
179.03517	1.2
206.57764	0.3
224.68860	0.3
257.34442	0.3
330.73502	0.4
353.20932	0.5
438.26471	0.4
489.30206	1.5
490.30545	0.4
557.36481	1.1
557.50623	0.4
572.38531	0.4
589.39008	100.0
590.39319	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	589.3902
Annotation	Unknow
Peak:m/z	Relative Intensity
68.70407	0.2
70.96754	0.4
79.62043	0.2
93.03462	0.2
94.94138	0.2
95.10136	0.2
117.03484	0.4
121.02950	0.4
132.02184	0.6
133.02969	12.9
134.03787	2.7
135.04526	4.5
137.02443	2.2
139.04010	0.9
145.02942	0.4
161.02455	33.0
161.27086	0.2
162.02841	0.9
178.02754	0.6
179.03510	1.6
305.33337	0.2
589.38995	100.0
590.39355	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	589.3903
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40510	0.2
67.41963	0.2
69.34265	1.1
79.95701	0.2
96.96027	0.6
98.22523	0.2
111.68460	0.2
117.03500	0.4
121.02979	0.5
125.79135	0.2
132.02199	0.4
133.02966	10.1
134.03770	2.4
135.04546	3.3
136.04869	0.2
137.02455	1.8
139.04031	0.6
145.02965	1.4
155.54404	0.2
161.02454	27.1
162.02792	0.6
178.02745	0.6
179.03510	1.2
212.69684	0.2
271.55103	0.2
281.25809	0.2
291.37186	0.2
453.34042	0.2
571.37744	0.3
589.39001	100.0
590.39362	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	589.3905
Annotation	Unknow
Peak:m/z	Relative Intensity
61.53001	0.7
61.98804	0.9
74.06788	0.7
116.92851	0.8
117.03483	16.8
119.05061	1.9
120.05361	0.9
121.02976	1.9
123.04568	0.8
145.02968	50.6
146.03262	1.4
162.03201	0.9
163.04036	0.8
167.03551	1.5
192.79594	0.7
201.22475	0.6
260.19894	0.7
589.39038	100.0
590.39484	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	590.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19170	0.3
61.98835	100.0
71.28191	0.5
78.95493	0.4
78.95921	1.4
80.96538	0.8
99.00913	1.0
99.92627	0.4
103.20869	0.3
109.06635	0.3
115.92124	0.7
116.92903	0.4
125.09747	0.8
152.99644	0.7
181.08743	0.5
186.56036	0.3
187.09784	0.9
188.10158	0.4
211.13490	0.6
328.22086	0.4
345.23184	0.4
346.23257	0.7
349.69986	0.3
490.36472	0.9
590.37000	3.9
591.24829	0.9
591.37671	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.91514	0.5
70.86567	0.6
71.25222	0.5
79.95742	6.9
95.01387	1.1
96.96017	100.0
107.01399	1.8
111.00879	1.3
121.02970	1.2
123.00903	7.4
123.04612	0.6
124.01678	1.4
125.02447	6.3
136.98819	0.6
137.02446	0.9
139.00403	2.7
139.04057	2.0
140.01181	1.8
141.01924	0.6
147.68465	0.5
151.00403	0.9
166.99829	2.3
168.00668	2.8
169.01454	5.6
183.02985	4.3
213.35342	0.6
229.46788	0.5
269.08167	1.5
292.85867	0.6
298.71432	0.5
299.09244	0.7
307.41321	0.7
314.11453	0.9
315.12469	2.7
327.12381	1.4
329.14185	0.6
341.13715	0.6
375.10898	1.2
439.10693	17.0
440.11234	1.8
448.11850	0.9
451.10730	1.3
463.10529	0.6
466.12646	4.7
478.12781	5.0
481.15051	22.4
482.15341	2.2
493.14963	7.9
511.16122	12.3
512.16461	1.0
591.11804	62.9
592.12225	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	591.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.3
61.98819	1.6
71.29809	1.1
73.26881	0.8
76.56884	0.8
82.95419	1.2
84.95110	7.2
85.00425	1.8
89.44690	0.8
100.83553	0.9
106.87328	0.9
110.95515	0.8
118.18232	1.0
125.02469	2.3
137.02399	1.4
149.02502	1.0
165.05531	1.0
168.55090	1.0
195.06477	1.1
254.99451	2.0
257.01050	1.9
269.98071	29.4
270.98401	1.7
285.00424	13.1
297.97556	54.4
298.98013	2.9
312.99927	100.0
314.00369	4.8
328.02258	60.1
329.02823	4.7
433.02362	0.9
531.28790	1.1
576.11029	5.3
576.19104	0.9
591.13538	85.8
592.13995	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	591.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06611	1.5
69.33160	7.6
92.67416	1.6
98.95878	1.7
108.02182	62.4
109.02975	11.3
121.02938	2.1
125.02418	9.1
131.28691	1.6
132.32449	1.8
133.24200	1.7
133.53743	1.6
137.02504	2.0
151.03917	2.3
151.99976	3.6
152.01164	54.4
153.01959	25.0
165.02013	1.9
167.03511	2.0
177.01897	3.1
197.32335	1.8
199.22212	1.7
207.88115	1.7
285.06189	100.0
286.06522	3.7
305.06662	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	591.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00584	4.7
59.01385	100.0
60.91812	2.5
61.26531	2.5
62.53913	2.4
69.11806	20.1
70.67203	2.6
71.01390	62.1
72.99316	6.2
73.02935	3.7
83.01427	3.4
85.02967	13.1
87.00895	2.9
89.02454	76.9
95.01385	6.6
96.96017	40.1
98.95580	22.4
98.96497	6.0
99.04517	6.0
101.02458	32.8
109.02946	5.8
111.04523	5.4
113.02471	30.5
119.03538	32.4
123.04527	4.6
125.02438	4.0
131.03543	4.4
135.04547	2.8
137.02454	7.0
143.03546	6.4
149.04607	3.2
152.04773	2.7
159.08182	3.3
161.04642	12.4
161.13373	28.5
174.92387	2.3
179.05664	30.7
185.13393	4.5
187.11290	52.1
205.12364	62.1
215.07187	4.1
229.12428	17.2
231.10252	3.6
245.08194	2.6
247.13388	4.4
249.11340	70.6
289.07187	13.3
291.12296	4.9
301.07230	7.0
351.14731	3.5
385.18710	19.1
411.16760	10.7
429.17679	66.3
430.18076	5.4
552.97931	2.9
591.16022	43.0
591.24274	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	591.23
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.9
58.00600	3.2
59.01382	100.0
61.38646	1.7
61.98841	4.8
69.03471	2.1
69.34252	4.9
69.34662	7.6
71.01380	45.2
71.05034	3.4
72.99297	3.7
73.02956	5.9
75.00867	2.4
81.03450	2.3
83.01383	5.7
85.02950	12.6
87.00875	8.5
89.02445	47.5
93.03455	1.9
95.01393	4.2
95.05061	2.2
96.96027	19.2
97.02960	5.6
97.06601	3.9
99.04544	6.8
101.02437	28.5
107.05025	5.4
109.02951	8.8
111.00912	2.6
113.02476	24.5
113.06061	1.9
119.03513	21.7
120.05840	2.8
120.60091	1.8
120.99677	2.7
121.02979	4.8
123.04537	5.5
125.02499	14.2
125.06133	1.8
131.03497	6.0
135.04523	3.7
137.02457	8.2
139.04005	14.7
143.03528	4.6
145.02983	2.4
148.07758	2.1
149.02382	3.3
151.03989	5.5
152.04738	1.9
159.04457	3.5
161.02446	6.0
161.04559	9.3
161.05966	2.5
161.09724	7.4
161.13359	18.9
165.01955	4.2
165.62158	1.8
169.01457	2.9
177.01888	2.3
179.05620	17.3
185.13347	5.3
187.11298	37.2
188.11655	2.0
189.09224	5.5
203.10738	2.3
205.05032	4.0
205.12344	35.5
207.10147	2.3
223.13420	26.8
229.12326	13.3
231.10239	2.5
245.08282	2.6
247.13441	3.6
249.11330	57.4
267.12341	22.3
289.07321	16.6
291.12384	5.6
301.07095	2.8
309.13611	2.9
313.55499	2.0
339.14496	4.3
341.11008	3.5
351.14694	2.7
369.15482	25.5
385.18497	3.1
411.16556	10.8
421.09369	5.0
422.12305	5.5
423.13153	5.1
429.17612	91.9
430.18301	4.1
439.10217	2.5
468.12985	6.7
471.18732	12.3
501.19775	7.1
531.21014	14.4
591.22900	29.0
592.20929	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67714	2.2
57.03446	3.7
59.01383	100.0
59.62997	1.9
61.25892	1.9
61.98842	2.8
71.01386	46.1
71.05032	2.3
71.28334	2.2
72.99305	3.5
73.02940	6.3
81.03461	2.5
83.01394	4.5
85.02976	9.8
87.00887	5.3
88.17005	1.8
89.02449	49.1
89.64611	1.8
95.01387	3.6
96.42193	1.7
96.96024	27.3
97.02962	4.7
98.95620	6.1
99.00868	2.2
99.04531	3.6
101.02446	33.4
107.05046	4.8
109.02956	13.7
111.00873	9.8
113.02449	16.7
115.30590	2.2
119.03534	18.0
121.02982	3.5
123.00909	3.2
123.04544	8.6
125.02459	14.2
131.03525	5.0
132.63898	2.1
135.04541	3.7
137.02469	16.3
139.00426	2.1
139.03949	4.9
143.03552	4.9
149.02431	10.9
151.04012	5.3
161.04552	10.0
161.09796	5.0
161.13354	11.6
167.21352	1.9
179.03479	2.9
179.03975	2.7
179.05630	27.5
185.13333	2.5
187.04099	3.0
187.11307	22.8
191.03484	2.7
203.07135	2.7
205.05081	2.6
205.12303	20.2
215.07115	5.2
221.06697	7.7
223.13402	39.0
224.13751	2.9
229.12364	15.6
245.08186	6.9
247.13373	3.9
249.11360	24.9
257.08148	3.7
267.12436	42.1
267.15283	3.8
289.07199	41.8
289.10205	3.6
291.12439	4.1
301.07181	24.7
351.14581	3.6
385.18671	4.8
411.16479	5.2
429.17712	25.5
439.10379	3.0
443.97623	2.2
453.44141	2.1
471.18835	4.1
531.20776	8.8
591.14343	9.8
591.23175	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	591.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	1.2
59.01386	11.6
61.68125	1.2
61.98816	1.5
69.20947	8.7
71.01385	6.3
85.02942	2.9
87.00890	2.3
89.02425	3.6
90.77412	1.1
93.03447	1.4
101.02434	4.1
111.00897	12.8
113.02408	1.7
119.01380	6.6
119.04971	1.2
121.02956	4.4
125.02441	3.1
134.03825	1.6
135.04533	4.0
137.02457	1.9
138.06837	1.5
139.03946	1.4
147.00934	6.2
147.04544	1.8
149.02457	25.5
151.04057	1.7
151.07646	2.1
152.01151	1.3
152.08447	1.9
153.09227	3.8
161.02425	1.7
163.04048	3.2
164.04811	24.0
165.01981	2.3
169.01375	1.3
173.00891	1.8
175.00363	32.3
176.00952	1.4
179.03549	2.0
179.07130	3.1
190.02731	91.9
191.03343	4.2
205.05070	95.5
205.12344	6.2
206.05536	5.7
209.04623	3.2
221.08205	2.6
223.06133	48.0
224.06465	1.8
250.04906	1.6
265.07089	7.4
289.07220	1.8
295.07938	1.7
320.29883	1.5
364.08441	1.5
367.10321	2.2
369.47125	1.3
403.19757	2.4
591.24432	100.0
592.24689	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	591.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91725	2.7
53.26207	2.6
57.03445	7.5
58.00620	3.2
59.01386	100.0
59.02588	2.6
61.98836	4.4
64.47573	2.6
69.14259	20.3
71.01034	5.0
71.01390	72.9
72.99304	5.4
73.02955	7.7
78.88387	2.5
79.78960	2.7
83.01378	4.7
85.02959	13.4
87.00897	7.9
89.02454	89.5
95.01392	3.9
97.02986	3.5
99.04539	5.7
101.02456	73.0
101.03125	4.0
109.02982	6.1
111.04494	2.6
113.02449	30.5
119.03514	32.0
120.22994	2.9
123.00851	3.6
123.04517	8.2
125.02478	41.1
131.03502	12.3
137.02448	8.0
142.54959	2.8
143.03505	12.3
149.02405	3.6
151.04036	4.0
161.02451	11.1
161.04550	21.1
161.13393	10.3
165.01930	3.0
169.01428	12.6
169.04628	3.6
175.04047	3.4
177.01913	6.8
179.05634	79.4
185.13359	4.9
187.11270	14.3
205.07358	3.1
205.12337	16.7
221.06642	24.5
229.12360	13.9
243.02808	3.3
247.13437	3.6
249.11363	19.9
255.03008	3.6
271.93164	3.1
289.07239	6.5
291.12317	5.7
306.85315	3.0
341.85522	3.1
351.14288	4.9
385.18597	7.3
421.09183	7.6
429.17621	24.4
439.10489	3.9
471.18857	5.4
531.21191	8.5
555.20526	4.8
591.13184	4.0
591.22552	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	591.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14684	0.6
57.03445	1.7
59.01140	0.6
59.01383	7.3
61.40228	0.5
61.98835	1.6
67.01882	4.1
69.17871	0.5
71.01395	4.4
72.99303	0.6
73.02948	1.0
75.23330	0.5
82.95428	1.2
83.01383	1.4
85.02951	2.7
87.00883	27.7
89.02442	2.2
101.02436	2.8
111.00891	100.0
112.01211	1.4
112.98779	0.9
113.02460	1.9
125.02452	2.0
135.04517	1.2
139.11281	0.7
147.00865	0.6
149.02448	1.3
161.02429	0.7
164.04805	2.0
165.01872	0.6
171.10233	0.6
173.00922	11.0
174.01640	1.0
175.00327	3.3
179.07230	0.6
183.10312	1.3
190.02734	7.3
205.05046	6.3
223.06087	2.7
225.11116	0.7
265.07159	1.1
308.07419	0.5
403.19714	0.6
417.24759	0.9
489.32672	1.3
503.33743	1.4
529.26672	2.8
531.33405	1.3
555.24469	0.9
591.26367	31.7
592.26447	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	591.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69078	2.2
55.01867	2.7
57.03447	3.3
58.00604	3.8
59.01090	5.4
59.01381	83.1
61.98833	41.0
71.01389	74.8
71.05023	2.8
72.99299	3.3
73.02958	17.9
78.95921	6.4
80.21315	2.3
83.01408	4.4
83.49843	2.7
85.02942	14.0
87.00867	5.2
89.02450	100.0
90.02798	3.2
96.97007	3.0
99.00899	6.0
101.02453	53.9
103.03981	4.4
113.02449	19.1
115.92129	7.5
116.92790	3.8
119.03501	13.1
121.02959	4.3
121.08617	3.3
125.02458	10.6
125.09687	3.1
131.03516	34.8
136.01553	3.5
143.03465	3.3
149.04567	82.1
151.03983	4.7
152.99554	4.6
153.01939	2.7
159.04498	2.6
161.04572	6.6
164.04805	24.0
179.05579	7.4
179.07167	24.9
181.08740	8.1
185.11790	3.0
191.05609	19.1
201.11330	2.7
207.06715	3.3
225.11426	2.9
251.11382	5.3
285.20657	4.7
311.03851	5.7
311.09824	3.6
339.25436	4.6
341.08737	15.1
341.12170	3.5
343.15610	9.1
355.13791	5.3
355.25031	4.6
357.26495	75.0
373.25928	3.2
399.23877	9.0
443.31900	3.5
503.13733	3.7
520.61493	2.8
531.28253	28.2
577.21539	2.7
591.24957	7.2
591.34344	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	591.3694
Annotation	Santiaguine
Peak:m/z	Relative Intensity
54.51586	0.4
64.03111	0.4
67.87349	0.3
71.30167	0.5
79.52884	0.4
86.56168	0.4
89.39005	0.3
95.30477	0.3
117.03514	0.5
118.03731	0.4
121.02936	0.5
132.02164	0.5
133.02969	13.3
134.03748	3.1
134.38094	0.3
135.04532	4.3
137.02466	2.1
139.03992	1.0
145.02968	1.4
146.03340	0.8
161.02454	34.0
162.02794	0.6
178.02681	0.8
179.03511	1.3
229.33202	0.4
234.72411	0.4
253.68921	0.4
278.55344	0.4
509.32968	0.6
591.36914	100.0
592.37305	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99310	16.8
61.98830	0.6
68.63769	0.4
70.05998	0.5
73.73090	0.4
81.76201	0.4
88.98811	100.0
96.96046	0.6
96.96945	0.5
109.02972	1.1
109.10175	0.5
116.92879	0.8
135.04527	0.6
147.04517	4.8
149.02475	1.2
150.03178	0.5
159.04498	0.5
161.55301	0.4
177.01947	0.5
189.05589	1.3
217.05057	0.6
231.06636	1.4
241.04918	0.5
243.06662	2.8
267.06647	0.6
269.93643	0.4
297.07794	1.3
311.09161	0.8
353.10406	0.5
503.13495	17.3
504.13745	2.0
582.66034	0.5
589.04364	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1306
Annotation	CHEBI:75670
Peak:m/z	Relative Intensity
51.20829	1.0
57.03450	13.7
60.99302	5.2
66.43146	1.2
70.16104	3.4
81.03459	2.0
83.01385	4.2
83.65139	1.1
84.83776	1.1
88.98815	38.1
89.02419	1.0
93.03465	3.4
95.01364	1.4
95.05039	1.3
97.02991	2.8
107.05048	2.3
109.02950	18.1
111.04540	1.8
121.02992	5.8
123.00900	1.8
123.04542	6.7
124.01677	1.3
125.02458	100.0
126.02809	2.3
133.02991	3.5
135.04553	1.9
137.02454	23.6
138.03157	1.1
139.04012	7.6
149.02422	8.1
151.04068	8.6
159.04530	3.2
161.02493	9.7
161.06085	1.2
161.45726	1.0
162.03076	1.4
163.00284	1.1
163.04021	2.7
164.01160	6.0
165.01949	9.4
167.03511	7.0
175.04001	8.3
177.01944	55.3
177.05481	2.7
178.02446	1.6
179.03506	7.7
187.04022	5.8
188.04797	2.7
191.03532	2.4
199.04039	1.4
201.05646	2.3
203.03439	3.4
203.07178	5.0
204.04199	1.1
205.01424	3.1
205.05063	3.7
211.04056	2.1
213.05476	1.2
215.03609	2.5
217.05002	1.4
219.06685	5.8
221.04495	3.3
221.08150	1.2
227.03430	1.5
227.07323	1.3
229.05020	3.0
238.59441	1.3
243.02986	5.4
245.04550	3.1
245.08218	4.3
253.14581	1.2
255.02969	12.0
256.03641	6.3
257.04556	3.5
261.04022	2.9
261.07788	1.3
269.04544	3.3
273.04053	4.0
283.02454	5.2
285.04065	2.6
287.05539	4.0
289.07199	34.1
297.04044	3.1
299.05603	1.4
303.05124	3.5
305.06708	34.5
306.07077	2.5
339.08710	1.7
347.07965	1.2
397.09131	1.5
407.07712	31.0
408.08063	2.8
423.07230	29.9
424.07755	2.1
425.08936	11.7
426.09283	1.7
431.58481	1.3
441.08145	3.2
466.78275	1.5
467.10025	9.4
490.64072	1.1
539.80005	1.3
593.12793	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1304
Annotation	CHEBI:75670
Peak:m/z	Relative Intensity
57.03445	11.9
69.03450	1.2
69.31664	0.9
69.54710	1.1
69.55006	5.5
70.85571	1.0
81.03449	1.6
83.01387	4.5
93.03455	3.1
95.01411	1.5
95.05024	1.7
97.02931	2.5
97.80963	1.1
98.21822	1.9
107.05028	1.4
109.02950	14.6
111.04510	2.1
121.02955	4.6
123.00904	3.0
123.04540	7.2
124.01644	2.5
125.02454	100.0
126.02828	1.5
131.05055	1.7
133.02965	3.1
134.93240	1.0
135.04504	2.1
137.02446	25.8
138.03137	1.0
139.04021	10.8
140.16597	0.9
145.02933	1.6
146.62134	1.0
149.02440	4.4
149.06081	1.9
151.04065	5.6
159.04562	2.2
161.02444	14.3
162.03223	2.2
163.00404	1.5
163.04015	2.1
164.01138	4.6
165.01920	12.1
165.24026	1.0
167.03514	7.5
175.03986	9.4
177.01941	39.6
177.05389	2.5
179.03519	9.2
187.04013	4.7
191.07019	1.4
193.04922	1.4
199.03951	1.4
201.05577	2.0
203.03490	2.2
203.07185	2.5
204.04343	1.5
205.01488	1.2
205.05066	1.7
211.04080	2.2
213.05478	1.5
215.03522	2.0
217.05110	2.0
219.06653	7.8
221.04572	2.9
227.03467	2.0
229.04990	3.1
243.02943	4.0
245.04510	4.7
245.08180	3.2
255.03020	14.7
256.03738	6.9
257.04395	2.6
261.07581	2.2
269.04633	2.4
273.03998	3.7
281.04550	1.4
283.02600	7.2
285.03964	2.1
287.05664	4.6
289.07205	22.5
290.07559	1.9
297.04193	5.4
299.05496	1.8
303.05072	2.6
305.06696	49.6
306.07068	3.4
315.04944	1.9
397.09274	1.8
407.07724	22.0
423.07184	42.4
424.07684	3.6
425.08908	8.3
441.08240	4.4
467.09875	11.1
507.77560	1.2
575.12262	1.9
593.12885	5.3
601.34692	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1302
Annotation	CHEBI:75672
Peak:m/z	Relative Intensity
55.10087	1.5
57.03450	11.3
63.32864	1.7
70.32109	5.0
79.38573	1.7
81.03475	3.0
83.01380	3.2
89.79233	1.6
93.03450	3.5
94.14675	1.5
95.05012	1.9
97.02969	2.5
109.02959	18.9
121.02987	5.1
123.00845	2.6
123.04538	6.6
124.01720	2.9
125.02457	100.0
126.02790	1.8
134.69398	1.8
135.04492	1.7
137.02460	23.5
138.21306	1.4
139.04044	10.2
149.02432	4.8
151.04013	8.2
159.04596	2.1
161.02444	12.8
163.04016	2.2
164.01131	4.5
165.01944	11.9
167.03485	10.1
168.03847	1.7
175.04048	8.1
177.01944	36.8
177.05470	2.3
178.02463	2.4
179.03479	10.6
187.04063	4.8
189.02023	2.2
201.05560	2.2
203.07198	3.3
205.01535	1.7
205.05113	3.2
215.03413	1.8
217.05263	2.9
219.06638	5.7
221.04716	3.2
227.07111	1.9
229.05032	3.4
229.35875	1.7
243.02977	5.7
245.04568	4.1
245.08179	3.3
255.02959	13.9
256.03745	3.4
257.04633	2.5
269.04474	3.8
273.04138	4.7
283.02542	7.8
285.03842	2.2
287.05667	3.7
289.07196	21.9
297.04068	4.5
303.05219	2.0
305.06696	43.9
306.07043	3.2
366.57507	1.8
397.09229	1.8
407.07724	20.6
408.08032	2.3
414.42056	1.7
423.07220	47.3
424.07623	5.2
425.08813	9.0
426.09039	1.9
441.08298	6.9
467.09979	9.2
593.13062	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	593.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98288	1.1
55.69755	1.1
57.03447	14.8
59.47326	1.3
69.71204	1.3
69.71541	4.3
78.36815	1.0
81.03473	1.8
83.01400	5.1
88.98808	1.7
93.03454	4.3
95.01423	1.2
95.05051	3.0
97.02976	3.8
107.05037	2.1
108.02148	1.3
109.02967	18.7
121.02988	6.7
123.04545	15.5
125.02460	100.0
126.02827	2.3
129.03433	1.0
133.02975	2.9
133.29034	1.2
135.04549	1.7
137.02466	22.4
139.04068	3.5
148.87125	1.0
149.02467	12.9
151.04030	13.7
159.04527	3.2
161.02466	4.1
161.06104	3.8
163.04048	3.2
164.01215	3.7
165.01994	6.8
167.03513	4.8
175.03979	9.4
175.07742	1.5
177.01947	97.4
178.02364	2.6
179.03564	5.0
180.37099	1.2
182.17212	1.3
185.06075	1.5
187.04004	8.9
188.04741	2.2
199.04045	1.6
202.06276	1.3
203.03513	1.6
203.07178	7.9
205.01337	1.3
205.05064	6.1
211.04089	1.2
212.04585	1.3
214.02617	1.2
215.03653	1.5
217.05031	1.9
219.06523	1.5
221.08304	1.8
227.03520	2.1
228.04323	1.7
229.05095	5.1
231.03046	1.5
231.06757	1.2
243.02986	2.9
245.04478	1.4
245.08202	13.2
255.03036	10.6
256.03854	6.8
257.04526	3.2
261.04083	2.3
273.04001	5.9
281.04541	2.6
283.02542	2.9
285.04187	2.8
289.07199	63.8
290.07559	4.4
297.04074	1.7
303.05182	9.1
305.06580	8.7
315.05057	4.3
335.54453	1.2
339.08713	3.0
381.09967	2.0
407.07748	58.5
408.08096	5.4
423.07190	7.8
425.08795	23.3
426.09363	2.2
441.08212	4.1
467.09894	6.6
489.38895	1.1
593.13348	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	593.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	0.6
63.35562	0.2
66.34351	0.2
71.01369	0.2
76.03160	0.2
77.03970	0.4
78.98618	0.2
79.95718	0.2
80.96517	1.7
81.03432	0.2
83.89255	0.2
91.01928	0.4
93.03515	0.3
94.98080	0.4
108.02190	0.2
118.93416	0.2
120.02174	0.7
121.02966	100.0
122.03302	2.4
136.01663	0.4
163.03987	0.2
164.98663	0.2
165.01929	4.9
180.05841	0.3
181.05043	0.4
181.06589	2.3
181.08334	0.3
181.08592	0.3
184.55351	0.2
195.06667	0.5
197.06082	1.7
207.04604	0.9
209.04565	58.0
210.04912	1.8
223.03911	0.4
225.00729	0.4
225.05586	1.7
251.07021	0.3
257.09695	0.6
285.09106	0.2
313.07193	2.2
357.06207	0.9
383.07755	1.1
401.08762	0.3
417.09946	1.3
505.11472	3.2
506.11478	0.3
549.10400	6.6
550.10657	0.7
590.45349	0.2
593.12854	8.0
593.26074	2.2
594.13098	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1305
Annotation	CHEBI:75672
Peak:m/z	Relative Intensity
50.14285	0.9
57.03453	12.6
64.05169	0.8
70.13882	0.8
81.03461	1.8
83.01395	5.1
93.03473	2.3
95.01385	1.2
95.05033	0.8
96.95998	1.3
97.02944	2.3
100.54826	0.9
105.03421	1.1
109.02946	10.6
110.02050	0.9
111.04533	2.6
117.48867	0.8
121.02968	2.4
122.03751	1.1
123.00890	2.8
123.04514	2.8
123.74158	0.9
124.01653	1.6
124.87704	1.0
125.02457	100.0
126.02805	3.1
131.05006	1.3
133.02936	3.2
135.04500	1.7
137.02457	28.3
138.03186	1.8
139.04018	11.4
147.04486	1.5
149.02432	3.3
151.04005	5.7
159.04460	1.6
161.01125	1.5
161.02443	18.7
162.03041	1.0
163.00414	1.2
163.04001	1.8
164.01088	4.7
165.01938	13.2
167.03505	12.3
169.01477	1.0
175.03976	5.8
177.01938	12.0
177.05569	2.7
178.02455	1.4
179.02122	0.9
179.03549	10.3
187.03995	3.0
191.03488	2.0
201.05664	1.3
203.03484	3.0
203.07159	1.4
204.04179	1.2
205.01361	2.8
205.04990	2.0
211.03886	1.3
215.03516	1.5
217.05006	2.1
219.06580	8.3
221.04509	3.9
227.03609	1.8
229.04993	2.7
243.02997	5.2
243.06715	2.2
245.04504	5.9
245.08270	1.5
255.02986	10.8
256.03680	3.0
257.04468	1.8
259.06055	1.4
261.04019	0.9
261.07593	2.8
269.04446	3.2
273.04037	4.9
281.04767	1.1
282.01740	1.1
283.02377	6.4
285.04047	2.3
287.05585	6.3
289.07257	6.1
297.04034	3.7
299.05600	2.9
301.00034	1.7
305.06680	61.1
306.07037	3.9
345.05945	1.0
347.07785	1.3
355.08139	0.9
397.09155	1.1
407.07681	1.4
423.07205	45.2
424.07523	2.6
425.08749	5.7
441.08289	5.5
467.09720	10.6
468.10172	1.4
508.41415	1.0
511.87808	1.0
546.67615	1.0
575.12225	1.8
593.12848	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.8
60.99028	1.0
60.99313	14.2
69.32846	3.5
71.50292	0.7
83.01392	0.8
88.98814	100.0
89.99135	0.9
91.23027	0.8
109.02953	4.5
121.02959	1.8
123.04533	1.4
125.02460	26.2
133.02946	0.9
135.04532	0.9
137.02452	4.6
139.04012	2.1
149.02420	2.4
151.04015	2.5
161.02481	2.7
161.06046	0.8
163.04008	1.0
164.01144	1.3
165.01949	2.3
167.03539	1.8
175.04033	2.6
177.01938	14.7
177.05565	0.7
178.02333	0.9
179.03499	1.9
187.04053	1.7
203.07149	1.1
211.04065	0.7
229.05148	1.4
243.03236	0.7
245.04413	1.0
245.08205	1.7
255.03024	2.9
256.03860	1.5
273.04092	1.3
283.02536	2.2
285.04190	1.4
287.05762	1.3
289.07166	9.0
303.05276	1.5
305.06708	8.6
407.07748	11.9
408.07922	1.4
423.07214	6.5
425.08505	4.5
441.08273	1.0
457.97021	0.7
467.09894	2.0
575.11816	0.8
593.13550	1.4
619.98792	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
58.26102	0.4
60.99311	14.1
63.38179	0.4
67.15131	0.4
88.98814	100.0
89.99129	0.8
102.89355	0.4
125.02473	1.5
177.01927	0.8
190.56000	0.5
211.73209	0.4
218.49850	0.4
289.07422	0.5
294.89737	0.4
305.06668	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.7
61.98831	0.4
66.58965	0.3
78.79642	0.4
81.03457	2.6
83.01392	1.0
85.06599	0.7
87.04510	0.6
89.57086	0.4
108.55839	0.4
109.06593	2.0
111.04533	3.3
113.09739	2.1
125.02457	9.2
127.07660	0.6
133.06587	1.3
136.05273	0.5
149.02452	1.3
151.00352	0.8
151.07658	23.4
153.05591	0.6
177.05559	1.0
179.07120	1.3
181.08720	8.8
195.06635	100.0
196.06978	4.1
205.12372	1.3
219.06599	1.3
237.07642	0.6
249.11325	10.6
250.11798	0.7
357.11899	4.7
358.12146	0.4
411.16449	0.9
482.20993	0.4
593.26062	49.2
594.26404	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	593.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.9
57.79190	0.3
59.01389	0.7
61.98820	1.1
65.00331	0.9
78.79660	0.3
79.95729	0.3
80.96524	1.3
81.03462	2.7
83.01378	0.6
85.06587	0.8
87.04510	1.0
89.06023	0.3
95.05056	0.6
96.96046	0.5
109.06602	1.6
111.04533	3.3
113.09738	1.4
121.02933	0.8
123.00879	0.3
125.02460	9.3
133.06607	1.1
135.04553	0.3
136.05322	0.4
139.04036	0.3
149.02457	1.5
151.00371	0.6
151.07652	22.6
153.05559	0.6
156.16270	0.3
161.02460	0.4
167.94649	0.3
171.94220	0.3
177.05586	1.8
177.88548	0.3
179.03671	0.3
179.07166	1.3
181.08711	8.6
191.07211	0.4
195.06630	100.0
196.06960	3.4
203.10762	0.4
205.12306	1.4
209.08116	0.5
219.06593	0.9
231.10092	0.3
233.08273	0.3
237.07701	1.0
237.98894	0.3
249.11328	10.8
250.11728	0.7
277.88043	0.3
309.83554	0.3
327.12308	0.7
342.79559	0.3
357.11951	4.5
381.29831	0.4
402.75809	0.3
411.16483	0.7
593.26074	47.6
594.26404	5.8
594.35236	0.5
614.53839	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97348	0.5
57.09472	0.5
57.97105	0.5
59.01373	1.2
61.98812	0.8
71.28211	0.6
78.95911	63.4
88.98824	0.7
96.96020	9.7
96.96968	12.3
96.97608	0.7
97.06591	0.5
121.96030	0.6
122.97620	0.6
137.02419	0.9
150.98061	1.1
152.99599	100.0
153.99979	1.0
171.00697	3.0
223.00131	10.8
241.01198	26.4
242.01427	0.9
259.02313	1.6
277.21747	50.1
278.22003	3.5
315.04926	19.7
315.08710	0.6
316.05078	0.8
333.06122	0.9
457.33356	2.5
497.82330	0.6
499.32150	1.1
549.36139	1.3
553.92096	0.6
593.27197	76.7
593.35052	8.8
594.27527	9.1
594.35608	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.6
61.98841	1.1
62.96407	0.9
67.90058	0.7
69.03931	4.6
69.04340	1.3
73.70682	0.6
76.32650	0.9
78.95913	64.2
85.00442	0.9
88.98862	0.8
93.14476	0.8
96.96001	1.0
96.96967	11.8
110.17108	0.7
112.81113	0.6
150.98164	0.9
152.99606	100.0
171.00677	3.0
223.00134	13.3
241.01216	27.3
259.02280	2.1
277.21756	47.7
278.22125	2.9
315.04904	20.5
333.05826	1.1
383.51907	0.8
556.69666	0.8
593.27313	68.4
594.27783	6.8
595.68646	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.6
59.01384	100.0
60.01706	1.0
61.98841	2.7
63.54297	0.5
71.01388	3.0
72.99303	0.6
73.02956	1.0
74.99147	0.6
75.00852	0.6
85.02958	2.1
87.00882	0.9
88.98816	0.8
89.02451	1.1
93.03434	0.8
96.96008	1.9
97.06582	0.6
101.02435	1.6
108.02168	1.5
109.02949	1.3
111.00889	1.0
113.02480	1.6
116.92868	0.7
117.03448	0.6
119.03519	0.7
119.05045	1.6
120.99689	0.8
121.02973	1.1
123.04525	1.5
125.02440	1.5
135.04538	1.2
137.02452	1.5
139.11249	0.5
145.02928	1.4
152.01192	0.7
153.01927	0.7
163.04001	1.5
164.04765	0.8
167.03467	0.7
169.01389	0.8
175.03995	0.8
179.03542	0.8
179.07172	1.0
183.10194	0.6
190.02917	0.6
203.06967	0.6
205.05011	0.8
207.03053	0.6
209.08281	0.6
219.04878	1.4
223.09778	1.0
260.54630	0.5
267.07513	0.5
268.07196	0.6
299.05795	0.9
299.09241	2.4
311.12787	0.6
327.06818	0.7
342.09225	1.2
343.09857	2.4
359.24103	0.9
405.27811	1.3
407.26425	0.5
423.29010	5.0
439.28229	0.9
467.28036	1.1
467.44501	0.7
471.30951	3.0
505.15283	3.7
506.15424	0.7
515.30408	2.7
517.70911	0.5
533.31250	16.3
534.31427	1.7
593.19202	5.2
593.32703	3.5
594.19263	0.7
613.86823	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11147	0.7
59.01398	0.8
61.98830	1.9
68.99590	0.7
74.19357	0.6
78.95905	13.9
96.96019	5.6
96.97000	2.7
123.04550	0.8
125.09712	1.5
133.02962	12.9
133.03908	1.0
134.03749	2.4
135.04520	3.5
137.02483	1.8
152.99583	17.2
161.02443	28.4
175.16808	0.7
178.02766	0.9
179.03487	2.3
187.09824	0.9
187.68405	0.8
213.36026	0.9
223.00233	2.6
241.01128	5.0
277.21814	8.7
313.23859	1.1
315.04944	4.3
331.70370	0.8
348.03699	0.8
457.33441	2.4
499.31927	1.0
549.36792	1.0
557.37061	0.9
593.27246	11.3
593.35046	100.0
594.26752	2.0
594.35278	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	593.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	4.7
62.69966	0.7
69.23454	2.7
69.23862	1.8
80.70177	0.7
83.01442	0.9
95.05038	0.8
96.96012	9.6
111.04522	2.7
115.92082	1.2
116.92893	1.2
117.03477	20.2
118.59917	0.7
118.90010	0.8
119.05030	5.3
120.84621	0.7
121.02987	2.4
122.97615	1.0
145.02966	72.0
146.03355	2.1
151.07658	2.0
163.04041	3.1
179.10811	1.2
181.08684	1.6
195.06668	9.0
207.06752	1.3
209.08176	1.2
223.09743	4.6
235.09885	4.4
327.04926	0.8
339.51245	0.8
344.37589	0.9
357.20615	1.4
375.21796	1.1
392.12424	1.0
429.30197	2.0
593.24969	3.2
593.35004	100.0
594.25946	1.6
594.35266	14.2
623.80878	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.126
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74414	0.5
61.98835	100.0
71.01397	0.7
71.29482	0.6
71.29873	0.6
83.01357	0.5
85.24074	0.5
90.58484	0.5
93.02203	0.5
96.96033	1.1
101.93573	0.5
109.02950	0.9
125.02456	5.4
135.04562	0.6
137.02451	2.4
139.04115	0.7
161.02544	0.8
165.01964	2.0
167.03648	0.8
167.05034	0.6
175.04095	0.7
185.06090	0.7
205.05269	0.7
209.06241	0.7
213.05743	0.6
223.29639	0.5
227.07256	0.6
229.97147	0.6
243.06627	0.9
243.90590	0.5
247.06181	0.8
253.05092	4.5
271.06198	1.2
281.08261	0.9
283.03522	0.7
283.06171	3.7
289.07098	0.7
329.87946	0.5
367.08350	1.0
379.08157	3.8
385.26361	0.6
456.33060	0.6
531.13007	17.7
532.13513	1.6
595.20044	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99895	0.6
54.31390	0.6
57.03443	0.9
57.06421	0.7
57.86428	0.7
61.98834	100.0
63.58801	0.6
63.74500	0.7
70.33672	2.0
71.01400	0.9
83.01406	0.8
96.96024	11.1
97.03014	0.8
108.02196	0.9
109.02992	3.1
121.02987	1.7
122.03761	1.3
123.00865	0.7
123.04546	2.8
124.01698	1.3
125.02449	10.4
135.04576	1.4
136.01707	1.0
137.02455	6.6
139.00397	0.6
141.01744	1.1
147.04640	1.1
149.02475	1.4
151.04120	1.1
159.04587	1.0
161.02483	2.8
161.06068	1.2
163.04018	1.2
164.01187	1.3
165.01952	8.7
169.01460	2.3
175.04073	0.7
177.05608	0.6
179.03506	1.2
197.06227	0.9
199.04025	1.0
201.05537	0.7
203.07155	0.7
205.05168	2.0
213.05507	0.9
215.03548	1.1
221.04475	0.7
227.07210	1.2
228.04431	0.7
229.05247	0.8
231.03040	1.2
237.05490	0.7
241.05276	1.4
243.06760	2.5
244.07240	0.9
247.06163	1.7
255.06761	1.5
265.05191	1.6
267.06503	0.8
269.04681	1.0
281.08374	2.0
283.06137	12.1
283.09091	1.0
284.06738	0.8
289.07214	2.2
313.05994	0.8
325.07300	2.0
367.08148	1.0
379.08240	9.5
407.08038	0.8
421.09372	0.8
433.15192	3.2
531.12964	56.4
532.13361	5.5
557.13556	1.0
558.13605	1.0
595.20868	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	28.6
61.98822	14.5
69.03706	13.1
69.04126	18.6
71.01378	29.9
73.02917	5.2
85.02961	6.5
89.02441	30.0
93.63601	4.0
100.72494	4.4
101.02440	14.4
109.02991	5.5
111.00858	4.7
111.15258	3.8
113.02484	7.1
119.03515	3.6
123.00883	5.1
123.04478	6.6
124.01585	5.6
125.02448	16.7
136.01656	45.6
139.04010	5.2
149.04521	5.1
151.00461	5.4
151.04022	81.9
164.04803	4.1
165.01865	4.9
166.02715	8.9
177.05525	10.6
181.05078	9.2
189.05505	5.9
192.07895	7.6
205.05116	6.8
217.45409	4.0
233.06548	5.2
239.07054	5.0
240.07858	6.3
241.39746	4.3
251.07079	8.4
252.07993	5.9
253.05232	4.5
266.05978	5.6
267.06586	17.6
268.07422	46.4
283.09778	44.3
293.08801	17.9
296.06866	7.8
301.10800	36.4
306.11078	4.2
311.09064	6.5
326.11526	15.3
341.13754	18.5
359.15005	100.0
360.15289	6.8
388.82639	4.2
389.15988	64.7
390.16299	5.5
451.84592	4.1
461.72198	4.7
520.44440	4.6
577.18817	12.3
595.19263	6.1
595.29352	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	595.0786
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.2
59.01377	1.0
59.06025	0.8
69.46108	3.1
71.01380	1.6
72.98429	0.7
79.95742	19.4
86.82594	0.7
89.02472	0.9
95.01395	1.3
95.95238	9.9
96.96019	88.1
101.02444	1.0
107.01425	0.9
109.02975	4.2
110.97581	5.6
121.02980	1.0
123.00922	3.7
123.04509	1.4
125.02472	18.3
126.02785	1.0
137.02451	5.6
138.03134	0.8
139.04021	1.3
141.95729	1.0
147.04572	0.9
149.02402	1.2
150.03223	0.8
151.00429	1.0
151.04034	1.6
159.04445	0.9
161.02486	2.1
162.27200	0.8
163.04041	1.0
165.01897	1.7
167.00133	2.8
167.03510	3.1
168.00644	0.8
169.01410	5.5
173.02382	0.8
175.04195	0.8
177.01927	3.9
178.02457	0.9
178.38605	0.7
179.03496	1.1
187.04025	1.1
189.01924	1.0
190.02545	1.0
191.03539	2.0
205.05081	1.0
217.01537	1.1
219.03023	1.3
231.02985	1.0
245.00815	1.3
245.08313	1.4
247.02498	6.6
249.03975	1.4
257.01114	1.1
258.01373	0.9
258.25089	0.7
259.01965	0.9
270.98795	0.9
273.00278	0.8
274.01074	0.9
275.01996	2.4
289.03867	1.9
289.07236	5.4
290.07413	0.9
298.98257	1.0
299.99243	2.7
300.99902	6.6
302.00125	1.0
305.06775	4.9
306.07037	1.0
320.81573	0.9
321.53903	0.8
327.01550	0.9
355.01074	1.2
433.14914	1.7
443.19241	1.4
445.04825	0.9
448.49194	0.8
485.07590	3.5
500.09857	4.7
515.12299	100.0
516.12531	8.5
551.21954	1.1
595.09637	1.6
595.12054	1.1
595.20233	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.0945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81816	1.0
59.01376	1.8
60.99310	19.2
66.70697	1.1
71.29733	1.2
80.91679	1.4
87.00856	1.8
88.98811	100.0
89.02451	18.0
89.47216	1.1
89.99117	1.0
124.03487	1.1
164.31648	1.3
164.33469	1.2
169.01480	1.8
189.53052	1.1
249.05867	1.2
388.72723	1.1
398.74835	1.2
586.26379	1.2
594.32819	1.1
604.26013	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43432	0.3
57.27794	0.3
59.92175	0.3
61.98830	0.6
69.29578	0.6
69.29983	1.2
74.45654	0.3
79.07161	0.3
79.95741	3.0
89.68102	0.3
96.96021	100.0
98.22558	0.6
99.92578	0.3
107.01408	0.4
116.92840	1.1
123.00946	0.7
125.02453	1.2
127.17237	0.3
169.01431	1.0
187.11385	0.3
253.05048	0.6
266.98480	0.3
313.05591	0.4
433.14917	0.8
443.42737	0.3
497.13162	2.7
536.99359	0.4
547.02698	0.4
595.03345	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1308
Annotation	Peltatoside
Peak:m/z	Relative Intensity
59.01349	1.0
65.00310	0.8
69.21395	4.4
71.01362	1.5
83.04891	0.7
96.95994	1.0
107.01353	2.2
108.02188	0.9
109.02963	1.8
121.02934	1.1
123.00942	1.5
123.04491	0.8
125.02459	5.3
133.02934	1.7
151.00357	4.9
151.03987	1.2
161.02417	1.0
164.01212	1.2
165.01775	1.1
169.01381	3.4
171.04567	1.0
175.03908	1.1
178.99887	1.2
191.03699	1.1
194.28571	0.9
199.03998	3.1
201.01877	0.9
203.03523	1.4
215.03499	1.9
217.01485	0.8
226.02725	1.5
227.03462	2.5
229.01349	1.1
231.02905	1.0
243.02921	3.1
245.00861	1.5
249.04036	1.5
255.03035	1.7
271.02487	55.1
272.02820	2.8
273.00397	1.6
274.01212	2.5
275.01965	3.5
289.07230	2.1
299.01974	100.0
299.99106	2.0
300.02539	12.2
300.99957	5.9
301.03516	25.7
302.03790	1.0
313.03482	1.0
343.04541	1.5
371.07724	1.8
397.05545	2.0
415.06686	1.0
433.07788	14.1
462.08035	33.8
463.08813	12.5
480.05316	4.7
505.06064	1.1
577.11823	1.4
595.13074	68.5
596.13428	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	595.1306
Annotation	Peltatoside
Peak:m/z	Relative Intensity
59.01364	3.5
59.01632	0.7
69.03581	5.5
71.01380	1.9
88.45915	0.9
89.02435	2.3
98.21799	1.6
101.02505	1.0
104.01308	0.8
107.01392	1.5
108.02200	1.6
113.02482	0.8
119.03504	1.0
121.02918	1.2
125.02448	0.8
130.55855	0.7
133.27216	0.8
148.01712	1.0
151.00398	3.8
169.01422	0.7
178.99820	3.4
180.35387	1.1
182.00221	0.8
187.30338	0.8
193.07584	0.7
199.04056	1.2
209.04575	1.0
226.02821	1.5
227.03546	2.4
243.02998	10.5
244.03250	1.3
254.02217	2.4
255.03000	25.9
271.02475	55.6
272.03000	4.5
299.01984	2.7
300.02756	100.0
301.03299	12.8
343.11993	2.8
373.13000	2.1
397.05539	1.0
433.14902	2.6
560.56555	0.8
595.13031	56.4
595.29053	1.9
596.13477	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	595.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70907	1.8
57.03457	10.4
71.28434	2.2
71.86866	1.6
74.36597	1.6
81.03455	4.1
83.01403	5.8
93.03452	3.1
95.01414	2.0
95.05050	3.2
96.96038	2.2
97.02964	6.3
97.92240	1.6
109.02961	17.1
110.03306	1.8
121.02968	5.9
123.00907	5.5
123.04494	8.2
124.01647	5.1
124.04916	1.6
125.02454	100.0
126.02764	14.2
127.02956	5.5
133.02905	1.6
135.04570	2.4
137.02457	29.6
138.02837	1.9
139.03075	2.1
139.04053	14.7
139.84647	1.7
140.24973	1.7
149.02443	4.6
149.06059	2.6
151.04034	7.0
161.02477	5.4
161.06152	2.4
162.03055	1.5
163.00365	2.4
164.01189	5.2
164.39056	2.0
165.01978	15.0
166.02568	2.3
167.03523	16.4
167.14194	1.8
168.03784	2.2
169.01370	2.3
175.03986	5.3
177.01953	20.0
177.05638	2.7
178.02304	11.1
179.03642	13.2
187.03989	3.0
188.04616	2.2
203.03575	3.6
203.07172	3.0
204.04333	1.8
219.06693	9.5
221.04549	5.5
243.02948	2.8
245.04393	2.1
245.08203	3.6
247.02586	3.2
255.03070	2.2
259.97122	1.7
261.07587	4.7
273.03772	1.8
275.02145	2.6
289.07211	28.1
290.07507	6.3
291.07739	6.6
300.99832	4.8
305.06680	84.4
306.07068	9.3
307.07257	7.3
394.32791	2.2
407.07687	2.9
408.08121	4.1
409.08368	6.7
423.06943	2.5
424.07434	4.0
425.07758	14.1
426.08661	3.1
427.09372	4.8
469.10428	3.5
473.62039	2.0
595.08423	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	595.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59483	0.7
55.01867	0.7
59.01382	3.9
61.98824	1.4
67.01886	1.1
69.03436	1.0
70.38911	0.6
71.01401	3.4
71.01704	0.6
73.02934	0.8
83.01364	1.3
83.21758	0.6
85.02943	1.6
89.02428	1.9
95.01363	2.1
97.02941	1.5
101.02412	3.5
107.01389	11.4
111.00861	2.9
113.02404	1.7
119.01370	1.4
121.02879	1.0
123.00904	9.8
123.04486	0.7
124.01646	2.3
124.11782	0.7
125.02454	55.2
126.02763	1.1
127.00390	1.0
136.98798	1.1
137.02415	2.7
139.00436	3.9
139.03929	0.8
140.01132	3.3
141.01895	1.3
147.00891	1.0
149.02469	5.3
151.00369	6.6
151.03941	1.0
153.01823	1.1
159.13785	0.7
164.04825	3.8
165.01938	1.9
165.05579	1.2
166.99774	0.9
167.03424	1.9
168.00659	10.0
169.01431	80.1
170.01788	1.5
175.00378	5.4
179.03450	0.8
181.01433	1.3
183.02998	1.3
190.02740	13.5
191.03380	1.9
192.20067	0.7
193.01331	3.1
193.04977	0.8
205.03339	0.8
205.05077	12.4
206.05302	0.7
207.02846	0.7
211.02486	30.7
212.02725	1.0
223.06073	5.0
227.09250	1.5
241.03500	2.7
253.03471	1.9
271.01733	1.5
271.04614	25.6
272.04865	1.0
313.05762	3.7
331.06622	2.6
355.07666	0.8
408.27542	0.9
423.05661	6.0
424.06174	0.9
443.15634	19.4
483.07895	14.4
484.08087	1.4
595.16559	100.0
596.16949	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	595.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	11.4
61.98819	1.6
62.59948	0.8
68.98502	1.9
68.98904	6.6
71.01377	3.8
73.02941	1.9
75.06946	0.8
81.03455	1.1
83.01387	1.7
85.02965	2.1
87.00904	1.1
89.02440	2.9
95.01396	2.7
96.96040	1.4
97.02962	1.2
101.02449	3.0
107.05039	2.2
109.02950	2.1
111.00871	2.7
113.02442	1.2
116.77276	1.0
119.05066	1.6
121.02983	1.8
123.00874	2.9
124.01622	3.0
125.02457	3.0
125.99550	1.0
127.00347	1.1
135.04489	2.1
136.98824	2.3
137.02521	2.8
138.03232	1.8
139.00381	6.0
139.03993	2.6
145.02943	1.1
145.05078	1.2
147.04501	3.6
149.02538	1.0
151.04013	1.0
153.01932	3.8
153.05597	1.3
156.03093	0.9
159.04597	1.1
159.10188	1.1
161.02408	1.1
162.03221	2.3
163.04021	3.0
163.06047	2.2
165.01941	1.9
165.05559	1.0
166.02737	4.7
167.03487	1.0
169.01384	1.1
173.02371	1.2
174.03296	1.2
175.03992	2.5
176.01137	1.0
177.01949	1.8
177.05547	3.3
181.05090	6.4
189.02019	1.2
191.03580	3.5
193.05025	2.0
197.04465	1.3
203.03455	3.8
204.04266	1.1
205.05119	2.0
207.06641	1.7
218.05849	4.7
219.06514	2.5
227.12888	3.2
251.09267	3.4
278.86874	1.2
287.14908	2.3
289.07260	1.5
300.02838	2.5
325.11636	1.3
334.56415	0.9
343.08206	2.4
355.08255	1.2
358.10617	12.1
359.10889	1.2
369.13519	1.2
370.10367	1.2
373.12964	26.4
374.13254	1.4
385.13153	1.9
395.12943	1.2
402.10181	1.0
403.09351	4.6
403.14938	4.2
417.11951	1.8
418.12732	4.2
433.15033	100.0
434.15182	8.6
449.20258	1.2
480.67786	0.9
491.19318	2.0
503.19055	3.2
512.29907	1.0
565.15466	3.3
595.19360	27.3
595.27087	3.6
596.20428	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	595.2037
Annotation	Staunoside C
Peak:m/z	Relative Intensity
55.01865	1.4
56.11889	1.0
59.01382	19.0
64.17178	1.0
67.01884	1.5
69.58675	4.7
71.01392	13.7
72.99313	1.4
73.02953	3.1
83.01408	2.0
83.64167	1.0
85.02956	4.4
86.70486	0.9
87.00886	1.5
89.02447	9.2
89.74043	1.1
94.92766	1.0
95.01401	4.0
101.02436	11.2
107.01392	4.5
111.00912	2.3
113.02445	5.8
119.03500	3.6
123.00902	11.9
125.02464	16.9
127.00349	1.2
127.40032	1.0
139.00356	5.2
140.01172	3.1
151.00374	8.2
168.00655	3.8
169.01425	23.0
271.04391	1.5
301.20825	1.3
443.19235	25.1
551.21460	20.0
552.21710	2.6
577.19299	3.4
595.20337	100.0
596.20752	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	595.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.3
57.19236	0.8
69.51178	2.2
69.51581	1.6
69.98106	0.9
75.59904	0.7
83.01381	3.9
85.02960	3.0
85.06612	1.7
87.04515	2.8
89.19245	0.7
93.67088	0.8
95.05025	2.0
95.17313	0.8
102.73955	0.8
109.02969	1.7
109.06598	2.5
111.00900	2.7
111.04523	16.4
113.02399	0.9
113.09746	8.0
116.92889	4.1
123.08138	1.8
125.02396	0.8
125.06113	1.1
131.28964	0.7
139.04005	2.7
139.07579	0.8
149.06071	0.7
151.07654	0.8
153.01894	1.2
153.05597	1.9
165.09192	4.0
166.06357	0.8
167.07121	1.4
176.16336	0.7
179.07159	4.7
181.08714	82.5
182.09064	2.7
183.06616	4.8
189.05533	1.0
193.08690	1.1
195.06653	1.7
197.08255	2.1
204.51729	0.8
205.12273	0.9
207.06631	8.9
207.13901	1.0
208.07443	1.9
209.08208	8.7
219.06651	1.4
221.08200	4.5
221.11795	0.9
223.06108	11.8
223.09816	2.0
241.08879	0.7
245.08305	0.9
245.11699	1.2
247.06049	3.6
247.13347	2.6
247.98958	0.9
248.06876	1.4
261.07748	0.9
273.11377	0.9
285.11218	1.5
289.10806	0.9
289.14517	0.8
297.11258	1.1
299.09476	1.3
313.10895	1.1
313.14734	0.8
315.08810	1.2
315.16269	1.2
315.19644	5.5
339.12485	0.7
341.13940	1.2
343.08484	0.8
345.13303	1.4
345.16983	1.6
356.12811	1.4
357.17261	0.7
359.14874	6.6
359.18729	41.1
360.18954	3.2
369.13257	1.3
371.15112	1.8
381.13345	1.3
383.15079	1.5
387.18250	3.0
411.14532	3.1
447.14172	0.9
507.16531	3.1
508.17126	1.0
525.17786	1.4
551.22473	2.1
551.29810	1.4
580.19342	2.6
595.21906	100.0
595.32672	57.0
596.22272	12.5
596.33044	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	595.219
Annotation	Kadsulignan D
Peak:m/z	Relative Intensity
52.11963	0.7
57.03434	0.9
59.01347	1.3
60.32399	0.7
60.98384	0.7
61.05942	0.7
69.41775	2.9
69.42185	1.7
73.87036	0.7
74.85652	0.7
75.22358	1.0
83.01387	4.2
83.05017	1.0
85.02968	1.7
85.06569	1.5
87.04517	2.8
87.49577	0.8
93.08416	0.7
95.05025	1.3
98.21857	1.6
109.02951	2.3
109.06580	1.7
111.00877	3.0
111.04530	16.7
113.06071	1.0
113.09728	13.0
121.20301	0.9
123.08178	1.6
124.01690	0.9
125.02412	1.2
125.06094	1.0
135.08153	1.0
136.05275	0.8
137.02426	0.9
139.03993	1.7
151.00352	0.9
151.07635	1.5
153.01901	2.1
153.09120	0.8
163.07654	1.0
163.43674	0.7
165.09174	1.9
166.06367	1.3
167.07118	1.8
169.05193	0.7
177.05569	0.9
179.07161	5.5
181.08714	78.5
182.08986	2.2
183.06635	3.3
191.07243	1.1
191.14201	0.7
195.06630	1.7
205.04980	1.7
207.06635	14.1
207.61705	0.7
208.07332	1.9
209.08191	5.6
219.06567	1.4
221.08171	1.7
223.06108	11.1
223.09729	1.7
247.06128	4.0
248.06839	2.0
285.11340	0.8
287.09430	1.9
289.10840	1.1
289.14630	1.3
297.11414	1.2
313.10596	1.0
315.08826	1.9
315.12387	0.9
315.19550	1.9
326.11209	1.0
327.12308	1.0
328.09390	1.2
341.10333	2.1
341.14117	0.9
351.12241	1.0
355.11957	1.3
356.12372	2.1
359.14865	4.9
359.18634	25.2
360.19070	1.7
367.11780	1.2
368.12891	0.9
371.15112	2.6
381.13336	1.2
383.14975	1.3
385.16870	1.3
398.14417	0.9
409.12881	1.6
410.13538	0.9
411.14465	4.5
435.67688	0.8
447.14944	0.9
455.13742	2.6
507.16110	1.5
518.17682	0.8
525.17297	1.9
565.16681	1.0
580.19489	3.3
595.21808	100.0
595.32538	21.2
596.22174	13.1
596.32220	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75347	0.2
53.84410	0.2
55.24009	0.3
57.03448	0.7
57.89831	0.3
59.01385	0.3
66.01097	0.3
71.28090	0.4
83.01411	0.3
91.01910	0.6
93.03452	0.4
95.01412	0.5
96.96002	2.0
109.02966	1.3
120.02193	1.0
121.02970	100.0
122.03294	1.9
123.00903	0.7
123.04536	0.6
125.02452	8.1
126.02782	1.6
127.02909	0.5
133.02959	0.3
134.99850	0.4
136.01654	0.8
137.02463	2.0
138.02800	0.4
139.03995	0.5
145.02904	0.4
149.02478	0.5
151.04015	0.6
161.02429	1.3
162.02818	0.4
163.04037	0.4
165.01945	1.1
167.03517	0.6
169.01427	1.2
173.02483	0.4
175.03973	0.4
177.01939	1.3
179.03542	0.8
180.03984	0.3
181.05083	0.5
191.03510	0.5
201.01981	0.5
203.03513	0.5
209.04565	82.1
210.04890	2.5
217.01437	0.5
219.06653	0.4
229.01315	0.4
243.02802	0.3
245.00960	0.7
247.02608	1.6
247.04892	0.4
249.04031	0.5
255.03073	0.3
257.00995	0.4
257.03653	0.3
275.01935	0.9
289.06961	0.4
299.99075	1.1
300.99933	5.2
302.00137	1.4
305.06573	1.4
306.07147	1.3
307.07312	1.4
312.99908	0.6
423.06967	0.4
424.07556	0.8
425.07999	1.8
469.10602	0.3
595.12091	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79471	0.9
57.03432	1.2
59.01096	2.3
59.01385	40.1
61.98836	8.9
65.55742	0.9
69.45873	5.6
71.01369	2.9
73.02953	1.4
81.91505	1.0
83.01404	1.1
85.02930	1.3
88.98808	10.1
89.02439	2.3
101.02440	3.0
109.02940	1.6
116.92857	1.8
123.04543	1.1
125.02420	2.2
135.04538	9.4
137.02470	1.5
139.11325	6.4
147.04556	2.6
163.04019	46.5
163.11290	1.8
164.04811	91.2
165.05206	1.9
169.01350	1.2
175.07655	3.8
178.06360	21.3
179.07150	92.2
180.07503	2.6
181.12349	5.9
183.10269	7.3
199.13489	2.5
207.10316	2.7
225.11327	6.8
238.87213	1.0
243.12390	20.3
245.04680	1.3
271.02371	1.4
285.13400	7.9
315.14566	2.4
345.15488	7.0
373.16580	100.0
374.16879	6.9
405.17551	6.1
542.55945	1.1
595.29773	11.6
595.80786	1.2
596.14508	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2893
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
50.00177	0.7
63.79571	0.7
69.13110	5.7
78.95910	66.1
85.00419	0.7
89.40634	0.8
96.96967	11.3
98.36409	0.6
103.01565	0.7
107.51048	0.7
116.92857	7.0
125.89785	0.7
134.36172	0.6
152.99602	100.0
153.99942	1.1
166.25777	0.6
171.00652	2.8
223.00150	11.6
237.10963	0.7
241.01201	24.2
259.02203	1.5
279.23309	61.9
280.23514	3.1
310.47656	0.7
315.04886	17.3
316.05267	1.0
317.67599	0.7
333.06302	1.1
505.29370	2.8
515.41388	0.8
595.28937	89.5
596.28998	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	595.313
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.0
58.00625	0.6
58.99609	1.4
59.01383	74.4
60.01720	0.6
60.99287	0.5
61.98836	14.2
71.01385	7.2
71.05033	0.7
73.02952	3.6
78.76443	0.5
83.01396	1.2
85.02966	3.2
85.06596	0.7
87.00900	2.0
87.04543	1.6
88.98841	1.7
89.02438	2.8
93.77657	0.5
95.05035	1.1
96.96030	0.5
97.02948	0.6
98.22556	1.0
99.00898	0.6
99.04544	1.1
101.02440	4.2
102.98601	8.2
104.98185	1.2
108.02202	0.8
109.03010	0.7
109.06645	0.5
111.04528	0.8
111.08144	1.1
113.02475	2.5
119.03543	0.9
121.02988	0.7
121.06615	0.7
123.00892	0.5
123.04541	2.9
123.08224	0.7
125.02448	3.0
131.03473	0.8
135.04585	0.7
137.02541	1.1
137.09744	4.7
139.11305	31.2
140.11650	0.9
141.74461	0.6
149.02370	0.7
149.06102	1.8
151.00369	0.6
151.04044	0.7
151.11366	0.6
153.01947	1.1
155.10782	0.6
161.04573	1.4
163.11299	1.7
164.04817	0.9
165.09264	2.4
167.03522	1.1
168.04265	0.9
169.01454	1.6
169.12375	2.3
175.07742	2.8
179.07169	1.8
179.10812	2.2
181.12347	15.3
182.12648	1.2
183.06760	1.4
183.10275	40.5
184.10645	1.7
190.06345	0.6
191.03687	0.5
193.03297	3.0
193.04868	0.6
195.06667	1.5
195.13956	0.6
197.11853	1.7
199.13385	8.1
207.10289	2.8
209.08220	2.9
220.64946	0.5
223.06082	1.7
225.11336	24.9
226.11684	1.4
239.12897	0.9
243.12375	100.0
244.12729	4.2
251.09209	1.0
257.13998	2.7
267.12311	1.5
271.02502	1.1
283.04944	6.0
285.04532	1.3
285.13443	32.2
286.13870	1.9
292.10458	0.5
297.11374	1.4
300.02777	1.0
315.14496	8.2
327.14655	1.3
345.11630	5.9
345.15494	43.8
346.15997	2.0
373.16592	1.4
387.16733	1.2
405.17688	27.5
406.18143	1.5
409.53452	0.5
433.13223	1.2
507.17041	5.5
508.17896	0.5
577.19641	1.2
595.31317	80.9
596.31586	10.5
614.89178	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16305	0.4
68.99809	1.0
69.83128	0.4
77.41846	0.4
87.04514	0.9
91.81949	0.4
96.19971	0.4
109.06590	1.3
111.04526	6.3
113.09744	3.4
137.02507	0.4
137.06041	0.5
138.03250	0.7
153.05556	0.9
159.83705	0.5
165.01939	1.6
166.02707	4.3
177.12885	0.5
179.10771	0.6
181.08716	25.9
182.09053	0.7
191.07135	0.5
195.06575	0.7
203.14441	1.7
205.12334	6.5
207.06709	2.3
208.07408	13.4
209.08138	2.3
219.06601	0.9
219.13776	0.6
228.82750	0.6
242.04289	0.5
244.10832	0.5
245.15565	0.6
247.09773	7.5
247.13387	1.9
247.16957	0.8
262.12039	1.0
267.75067	0.5
289.14404	1.3
301.18063	0.9
331.19128	1.0
359.18652	100.0
360.14496	0.8
360.18948	9.9
413.23337	25.5
414.23547	2.4
438.06857	0.6
595.32886	4.2
596.32727	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50240	0.6
57.03440	1.1
58.04288	0.7
58.76089	0.8
66.67005	0.6
68.99821	1.2
70.85620	0.9
83.05025	1.0
85.06602	1.4
87.04520	1.6
106.37840	0.8
109.06594	4.2
111.04531	14.6
113.09734	7.7
115.58938	0.7
121.02955	0.8
135.04546	0.8
137.02486	0.9
138.03247	2.1
139.04048	1.2
153.05606	1.9
164.04749	0.9
165.01938	4.1
165.09129	1.1
166.02754	9.4
166.06395	1.3
167.03342	0.9
177.05463	1.1
177.12909	0.9
179.10757	1.3
181.08717	35.3
182.08986	1.2
195.32697	0.7
203.14450	3.5
205.12346	17.8
207.06650	5.3
208.07420	34.6
209.08138	3.5
219.06619	2.0
245.11781	0.8
247.09753	14.4
247.13428	3.1
247.17038	0.9
248.06856	1.3
248.10201	0.9
262.12106	2.8
273.18805	1.1
289.14566	1.5
289.17920	1.1
297.18460	1.0
301.18082	1.8
315.19608	1.6
341.17633	1.8
359.18665	100.0
360.19055	8.2
413.23389	19.9
414.23282	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
61.84586	1.7
62.56525	1.4
79.05960	1.4
109.06629	2.8
110.86790	1.8
111.04539	10.5
113.09743	4.7
146.20897	1.8
165.01978	2.9
166.02722	6.1
181.08733	31.4
182.09149	1.8
203.14305	3.2
205.12299	15.5
207.06558	3.6
208.07466	24.7
247.09793	14.2
247.13385	4.1
289.14413	1.8
359.18671	100.0
360.19101	8.8
413.23370	26.7
414.23737	1.8
497.36139	1.7
595.31610	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	596.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04425	5.1
59.01372	14.8
61.98840	25.1
71.28722	10.1
72.99290	6.1
81.03468	11.5
83.05036	33.7
93.03449	5.6
95.05020	6.1
96.96025	8.6
107.04994	6.0
108.02167	5.5
109.02925	6.8
117.58790	6.6
119.84254	5.8
121.02950	10.6
123.04539	15.9
125.02438	44.1
137.02473	10.1
137.06113	7.0
149.02470	11.9
150.03131	6.2
151.03999	8.0
165.01964	7.9
165.05595	9.6
166.06337	28.4
167.03506	29.5
169.01422	17.5
181.08693	58.5
191.03531	7.7
195.06676	9.5
209.04562	11.2
214.06409	5.6
243.17145	25.5
253.05058	12.8
254.05426	14.1
263.05579	5.3
299.98962	5.9
300.99957	6.0
315.08786	69.7
334.62570	6.1
339.08963	13.2
353.20929	6.2
356.11429	5.1
391.17490	24.2
408.34378	5.8
434.15656	7.0
469.33691	10.7
477.14041	41.9
596.40375	100.0
597.18536	10.2
597.40765	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	597.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47709	0.7
54.58785	0.6
57.03426	1.3
59.01380	4.7
63.02391	3.4
64.88364	0.6
65.00325	6.1
68.99827	1.1
69.14310	2.4
69.14714	2.5
71.01391	9.5
71.25040	0.6
71.38799	0.6
72.99317	1.9
73.02917	0.6
83.01376	4.3
85.02950	9.1
87.00887	1.6
93.03468	11.3
95.01404	2.1
99.00882	5.3
101.02461	0.8
103.00359	1.1
107.01398	12.1
107.02090	1.2
108.02208	1.6
109.02957	3.1
111.00878	1.2
113.02446	8.8
121.02952	8.7
123.04554	1.0
125.02372	1.2
133.02887	0.7
135.00929	0.7
137.02443	15.9
149.02455	2.3
151.00383	38.9
152.00804	1.8
153.01959	2.9
153.49980	0.6
157.01413	1.6
159.03059	1.2
159.04501	1.4
161.02440	0.7
163.00325	3.0
163.03993	1.0
165.01944	0.9
165.05573	1.2
169.01485	1.1
175.02528	3.3
175.03828	0.7
177.01881	1.2
178.99866	19.1
184.87750	0.7
185.06168	1.2
187.04022	1.2
191.03493	1.5
192.00761	0.7
199.04019	1.3
201.05539	1.5
203.03511	1.0
211.04025	1.5
215.03610	0.7
226.02646	1.4
227.03569	3.1
229.05046	2.6
241.05006	0.9
243.02982	6.4
245.04567	2.5
254.02280	1.6
255.02985	17.2
256.03458	1.4
269.04456	1.3
271.02493	31.3
272.03027	2.1
273.04047	2.9
283.02521	3.1
284.03378	1.0
285.03970	1.5
295.04614	10.7
297.06290	1.3
298.04877	1.9
299.01984	6.8
300.02771	51.6
301.03540	100.0
302.03903	5.6
459.05698	90.2
460.06113	5.3
597.08514	18.0
597.21600	1.3
598.09387	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	5.3
61.98833	5.0
70.93313	0.6
71.01398	4.1
83.01386	1.6
85.02947	1.3
88.98833	0.9
93.03478	7.1
97.02943	0.8
101.02448	1.5
107.01420	1.5
108.02204	1.8
109.02954	1.4
113.02441	1.3
118.47581	0.8
121.02946	1.1
125.02415	2.2
137.02469	13.2
139.04001	1.1
151.00377	3.7
151.04071	1.0
152.01140	1.7
153.01958	2.3
163.00401	1.0
164.04802	0.8
165.01982	1.2
167.03497	1.7
169.01453	1.6
175.77318	0.7
179.03607	0.8
181.08755	1.0
187.04019	1.0
199.04010	1.7
209.08272	2.0
215.03517	1.0
227.03542	1.6
243.02974	6.1
254.02202	1.2
255.02991	15.0
259.13483	0.8
271.02509	43.8
272.03073	3.8
276.66196	0.7
281.06683	8.6
299.02023	15.9
300.02777	100.0
301.03180	6.8
314.04352	2.4
315.05136	62.2
316.05408	3.8
597.12567	60.1
597.23840	3.0
598.12836	8.4
619.82709	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	1.1
59.01371	3.3
61.98827	3.5
65.00336	2.2
71.10783	0.9
71.28954	1.5
72.00105	0.8
73.02975	1.1
83.01389	1.8
85.02966	1.7
88.98842	1.0
93.03474	2.2
99.00891	1.2
101.02451	1.9
107.01394	4.6
108.02183	2.6
109.02960	5.7
111.00909	1.2
113.02483	2.7
121.02959	2.5
123.00863	1.2
123.04541	2.8
125.02445	1.5
132.02188	1.4
135.00868	1.5
137.02480	4.1
147.04570	0.9
151.00372	8.6
152.01169	1.9
153.01945	9.7
161.02431	0.8
161.04683	1.0
161.06061	1.0
163.00383	1.7
165.01982	1.7
165.05563	1.2
167.03525	4.3
169.01434	2.0
178.99884	2.0
183.04532	1.2
185.06093	1.1
187.04031	2.3
199.03992	1.3
211.04036	3.3
213.05467	1.1
227.03513	45.2
228.03955	2.2
229.05142	3.4
239.03577	1.8
241.05157	1.7
243.03094	1.1
255.02998	89.8
256.03687	12.6
257.04660	3.9
269.04587	1.9
270.99081	1.2
271.02530	3.7
283.02563	3.6
284.03262	100.0
285.03998	31.0
286.04446	1.2
295.04755	2.1
297.06219	4.2
298.04929	3.1
298.98404	1.6
299.05612	3.6
299.08810	1.0
299.99188	7.6
300.02853	6.7
300.06021	1.4
301.03519	11.5
314.00748	2.3
315.01550	6.8
447.09323	1.6
459.05670	10.1
534.15326	1.1
548.14264	1.1
597.12585	95.6
598.13013	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	597.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81636	0.8
57.90998	0.8
59.01374	6.8
61.98833	6.8
63.02353	0.9
65.00327	1.2
69.13895	2.8
69.14317	3.8
71.01389	5.6
71.39420	0.7
73.02950	1.7
74.92428	0.8
75.00185	0.9
75.04427	0.7
81.03404	0.9
83.01367	2.2
83.22614	0.7
85.02946	1.7
86.04587	0.9
87.00894	1.1
88.98775	0.8
89.02453	1.4
93.03461	2.6
96.96000	1.0
101.02444	3.2
104.17484	0.8
104.32578	0.9
105.03476	1.2
108.02178	2.3
109.02957	33.4
111.00905	1.6
113.02448	3.1
120.99651	1.0
121.02966	3.0
121.58530	0.8
123.00906	1.1
123.04514	7.9
124.01662	1.1
125.02436	2.4
126.72590	0.9
135.04578	1.0
137.02448	2.9
139.00369	0.9
139.04013	1.2
139.11261	1.0
149.02429	6.3
150.03163	1.1
151.00363	1.2
151.04016	1.8
152.01155	2.9
153.01952	41.8
154.02240	1.3
165.01901	4.2
165.05580	20.4
166.05949	1.1
167.03433	1.7
169.01395	3.1
177.01933	1.7
179.03342	0.9
181.05048	1.4
182.05791	2.5
183.06265	0.8
183.10306	1.7
193.08682	1.3
195.02896	2.0
197.08206	2.9
198.08601	1.1
224.09918	0.7
225.03862	1.1
225.11301	1.9
227.03551	1.4
241.05075	15.8
242.05571	1.5
243.03024	2.7
243.06615	1.6
243.12395	1.5
255.03041	4.3
269.04568	27.6
270.05081	3.1
271.02560	4.0
283.02399	0.8
283.05908	0.8
284.03265	2.5
285.04083	5.3
297.06241	7.1
298.04828	45.0
299.02011	3.9
299.05536	28.4
299.09009	1.4
300.02728	1.7
300.05786	1.3
314.04340	2.9
315.05017	1.9
387.16620	2.2
389.16446	1.0
391.17624	2.4
392.17938	4.6
438.54492	0.8
445.17242	1.0
461.10803	3.1
553.22772	4.7
597.12476	100.0
598.12946	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	597.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	18.3
63.78339	1.1
66.70942	0.9
67.35680	0.9
69.05138	6.8
69.05540	2.0
71.01385	10.6
73.02921	1.1
81.03468	1.1
83.01388	1.1
85.02949	2.7
88.98739	1.1
89.02464	13.1
93.03465	49.7
95.01412	2.2
101.02455	5.6
108.02180	37.4
109.02972	19.5
113.02447	4.6
118.60889	1.0
119.03524	5.6
120.35025	1.0
121.02961	3.7
123.00904	1.4
125.02464	1.7
137.02457	100.0
138.02802	3.3
143.03508	1.5
149.02423	1.5
151.00368	7.6
151.04010	2.1
151.05870	1.0
152.01161	53.1
153.01953	26.8
163.04010	1.2
166.02728	13.9
175.03975	1.2
176.04900	1.3
177.02013	1.0
179.05641	2.9
181.05095	26.0
190.06398	2.9
205.08658	4.8
210.01305	1.0
212.71342	1.1
281.06699	4.2
297.06137	9.1
315.07260	20.0
316.07584	1.2
337.77362	1.1
357.13303	1.6
369.13611	1.4
387.14474	12.2
399.14603	2.8
435.09354	75.2
436.09689	7.8
449.20273	1.8
477.10364	8.4
597.14563	33.6
597.21899	1.5
598.14105	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	597.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79099	0.6
57.03431	0.6
57.75984	0.5
59.01386	1.2
68.99798	0.8
69.03452	0.6
69.66370	2.5
69.66702	0.5
81.03462	9.1
83.01378	3.1
85.02966	0.6
93.03474	5.5
95.01398	0.7
95.05024	6.4
95.90116	0.7
96.96036	0.6
97.02947	3.0
99.04534	4.2
109.02975	0.7
117.96999	0.6
119.05044	6.7
121.02947	1.5
122.03726	0.7
123.04539	11.5
125.02466	17.8
135.04549	1.5
137.02443	1.8
137.06104	9.8
139.04053	3.5
141.05562	0.6
145.02974	0.8
147.04495	1.9
149.02440	2.0
151.00284	0.6
151.03999	1.6
161.06096	0.8
163.00363	0.6
163.04015	1.4
165.01932	1.9
165.05579	8.0
166.02747	3.3
167.03514	40.8
168.03882	1.1
175.04025	0.8
177.05548	1.2
179.03548	5.2
180.04164	1.7
181.05055	1.3
189.02022	0.7
189.05586	3.5
191.03510	7.0
193.05016	1.0
203.03563	1.1
205.05090	3.6
207.02979	0.7
209.04561	18.6
209.06577	0.9
217.04944	0.9
221.04503	3.5
233.04546	6.8
245.04602	1.8
247.09412	0.6
251.05402	1.4
263.05621	0.6
273.07684	2.1
285.07791	2.1
297.07684	2.3
315.08765	100.0
316.09030	6.5
327.08780	0.7
339.08762	17.1
340.09265	1.4
345.09842	3.8
357.09924	1.6
369.09875	0.9
381.09732	0.7
417.12158	1.1
435.13031	1.6
477.14047	73.3
478.14343	7.1
507.15353	2.3
597.18402	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	597.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	1.7
59.01372	5.6
61.37205	1.5
65.00719	1.1
67.01888	1.8
69.70807	5.8
71.01388	8.7
73.02930	2.1
75.00871	4.7
75.76945	1.2
79.01878	2.7
81.03467	5.0
83.01392	6.3
85.02937	5.6
88.98850	1.2
89.02451	2.7
89.39816	1.2
93.03454	4.0
95.01392	4.7
95.05019	2.2
95.63221	1.3
96.96004	3.1
97.02943	3.7
101.02431	4.3
107.01399	6.7
107.05046	1.2
108.02190	2.1
109.02969	3.8
111.00883	2.1
113.02467	3.1
116.92836	1.8
119.05023	2.6
120.99680	1.5
121.02946	2.3
123.00910	19.0
123.04514	5.6
124.01707	1.6
125.02460	38.7
126.02784	1.4
135.04498	3.2
136.98872	1.5
137.02441	5.2
137.06090	1.9
139.00348	5.6
139.03986	5.7
140.01120	4.0
141.01917	4.2
144.45689	1.4
151.00380	13.0
151.04036	2.1
152.01100	1.6
153.01962	2.2
163.03987	3.7
165.01793	1.8
165.05521	1.8
167.03503	13.9
168.00613	4.0
169.01447	36.1
179.03461	4.4
189.05544	2.4
191.03468	1.5
193.05022	2.2
197.04510	2.6
209.04546	11.0
211.02448	4.0
227.98546	1.3
233.04616	1.3
239.05620	4.5
251.05502	2.1
265.82556	1.5
271.04639	3.6
273.07520	3.7
313.05695	1.9
315.08832	6.8
327.08722	2.6
343.14047	3.4
345.09741	2.4
357.09802	33.6
358.10141	3.1
387.10880	25.2
399.10864	3.2
417.11948	10.6
459.12988	4.3
477.14264	5.9
507.15173	2.4
523.21570	4.4
597.18176	100.0
598.18689	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	597.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	1.7
59.01372	5.6
61.37205	1.5
65.00719	1.1
67.01888	1.8
69.70807	5.8
71.01388	8.7
73.02930	2.1
75.00871	4.7
75.76945	1.2
79.01878	2.7
81.03467	5.0
83.01392	6.3
85.02937	5.6
88.98850	1.2
89.02451	2.7
89.39816	1.2
93.03454	4.0
95.01392	4.7
95.05019	2.2
95.63221	1.3
96.96004	3.1
97.02943	3.7
101.02431	4.3
107.01399	6.7
107.05046	1.2
108.02190	2.1
109.02969	3.8
111.00883	2.1
113.02467	3.1
116.92836	1.8
119.05023	2.6
120.99680	1.5
121.02946	2.3
123.00910	19.0
123.04514	5.6
124.01707	1.6
125.02460	38.7
126.02784	1.4
135.04498	3.2
136.98872	1.5
137.02441	5.2
137.06090	1.9
139.00348	5.6
139.03986	5.7
140.01120	4.0
141.01917	4.2
144.45689	1.4
151.00380	13.0
151.04036	2.1
152.01100	1.6
153.01962	2.2
163.03987	3.7
165.01793	1.8
165.05521	1.8
167.03503	13.9
168.00613	4.0
169.01447	36.1
179.03461	4.4
189.05544	2.4
191.03468	1.5
193.05022	2.2
197.04510	2.6
209.04546	11.0
211.02448	4.0
227.98546	1.3
233.04616	1.3
239.05620	4.5
251.05502	2.1
265.82556	1.5
271.04639	3.6
273.07520	3.7
313.05695	1.9
315.08832	6.8
327.08722	2.6
343.14047	3.4
345.09741	2.4
357.09802	33.6
358.10141	3.1
387.10880	25.2
399.10864	3.2
417.11948	10.6
459.12988	4.3
477.14264	5.9
507.15173	2.4
523.21570	4.4
597.18176	100.0
598.18689	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	597.198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63828	0.8
51.77110	0.9
57.68369	1.0
59.01396	5.4
61.98840	8.5
69.69872	4.2
71.01382	1.1
75.59467	0.9
79.90602	0.9
79.95718	1.0
80.67494	0.9
81.03484	0.9
88.98843	1.3
91.05499	0.9
96.96004	5.6
96.96951	1.8
97.02955	1.4
98.21912	1.2
98.95601	2.7
99.00880	2.3
99.92602	1.4
107.05015	0.9
108.02177	2.1
109.02959	1.9
115.92078	6.0
116.92883	2.5
117.03465	2.9
121.02981	1.5
123.00880	1.7
123.04529	2.3
125.02460	2.2
132.02197	2.5
133.02971	37.6
134.03755	22.9
135.04536	75.3
136.04869	1.0
137.02452	4.9
138.03258	1.7
139.04027	7.9
147.04565	1.0
149.02441	0.9
149.06042	3.1
150.03197	1.6
151.00352	3.0
152.01147	6.5
153.01945	2.1
156.27963	0.9
160.01678	2.2
161.02458	61.1
162.02864	2.7
165.01918	1.8
165.05569	1.9
166.02734	7.7
167.03496	7.1
169.01440	2.9
175.04039	3.6
177.01936	2.6
178.02739	3.3
179.03514	57.8
180.04005	3.2
181.05072	6.6
181.08765	2.0
183.02927	0.9
190.91785	1.1
191.03508	1.8
192.04193	1.6
193.05070	21.8
194.05499	1.3
195.06641	2.8
207.06485	1.6
231.87842	1.0
242.96078	1.4
260.97040	1.3
285.03824	1.2
323.09015	1.1
373.13077	1.2
401.65048	0.9
409.09598	2.1
567.18677	11.4
579.18890	3.2
597.19788	100.0
598.20038	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	597.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.6
61.98852	4.5
65.26691	0.9
69.06229	4.2
69.06653	4.5
86.31361	1.0
97.77039	0.9
98.21713	1.5
108.02197	1.5
109.02963	1.4
121.02948	2.3
125.02432	2.7
133.02995	2.1
135.04515	2.4
137.02490	3.4
149.02452	12.5
150.03236	4.5
151.00322	1.4
152.82596	0.9
153.01935	1.0
159.04526	2.8
161.02440	2.3
162.03239	2.0
162.13705	0.9
164.04797	19.6
165.05583	4.9
166.02817	1.2
167.03506	1.4
169.01402	1.6
175.03947	1.3
177.01981	1.0
177.05553	1.6
178.02766	1.0
179.03598	2.3
179.07143	15.4
181.05101	1.9
185.06010	1.2
192.04413	1.7
193.05132	2.8
196.05313	3.4
199.04027	1.1
199.07700	1.4
201.05644	3.2
207.06664	2.2
209.06116	3.5
210.06796	1.6
211.07635	4.0
212.04846	1.9
225.05650	1.8
227.07124	5.9
237.05490	1.5
239.07100	1.0
241.05106	1.6
243.06665	10.6
255.06638	65.1
256.07050	2.2
257.08191	1.6
263.43701	1.0
267.06638	5.4
269.08203	23.9
270.08633	1.8
301.87845	1.0
317.81107	1.1
359.37881	0.9
371.11157	1.5
394.06778	1.2
402.13574	1.3
417.11945	3.5
435.14505	100.0
436.14786	9.0
567.18445	1.1
579.18616	1.7
597.19397	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	597.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04805	2.9
58.24591	2.4
59.01385	75.9
70.40599	4.6
70.40936	5.8
71.01389	38.9
72.99321	3.9
73.02946	3.5
77.34926	2.2
79.33582	2.9
85.02954	9.6
87.00866	4.7
87.90614	2.4
89.02455	37.4
93.03464	51.0
101.02459	19.3
108.02172	37.6
109.02969	31.0
111.00909	4.2
113.02425	13.3
116.92875	22.1
119.03508	15.7
121.02988	8.6
123.00875	4.4
123.04600	2.9
124.01630	3.9
125.02467	10.0
131.03548	3.4
136.01657	14.1
137.02457	100.0
138.02815	3.1
143.03522	3.9
149.02481	3.5
151.00391	14.6
151.04025	27.3
152.01172	48.4
153.01978	32.8
161.02402	3.6
165.01825	3.0
166.02727	27.9
167.03496	4.6
169.01425	6.7
175.04012	5.6
179.05635	11.0
181.05077	56.7
190.06392	4.8
205.08630	9.9
207.13931	2.6
209.04536	3.5
209.11821	12.6
225.14978	3.9
227.12938	3.1
269.13910	21.6
271.04645	5.0
281.06631	5.3
287.05392	2.7
287.15173	2.9
294.09204	3.0
297.06207	8.8
312.06595	2.6
315.07278	24.0
323.09235	5.6
327.12448	5.8
342.11044	5.1
357.13422	10.5
387.14465	24.1
395.82239	3.0
399.14404	3.3
405.15540	7.9
435.09387	71.7
436.09641	7.5
449.20233	38.7
450.20560	4.4
477.10330	9.2
537.20215	4.7
597.14484	29.6
597.23535	27.5
597.31458	5.7
598.14740	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	597.2344
Annotation	Mg-Protoporphyrin IX 13-monomethyl ester
Peak:m/z	Relative Intensity
58.27117	1.8
63.63892	2.2
85.06596	3.0
87.04543	2.6
104.74982	2.2
108.53609	2.0
109.02969	2.5
109.06574	3.8
111.04528	65.7
112.04896	2.8
113.09737	4.2
123.08167	8.6
127.87494	2.6
137.02504	2.4
139.04021	6.3
151.07642	5.4
165.09189	14.4
166.02661	2.5
167.07124	5.5
181.08739	21.9
182.09084	4.9
183.06509	3.3
191.07195	2.0
195.06628	7.2
206.05898	3.9
207.06601	6.5
208.07422	6.0
209.08203	48.1
210.08525	2.4
215.07051	2.8
219.06697	12.6
221.08226	4.4
223.09613	2.9
225.07623	2.8
231.10242	3.8
235.09877	4.0
245.08255	2.5
247.06125	14.1
248.06943	14.0
261.07666	3.2
263.09137	15.4
272.06955	3.6
275.05618	10.1
276.06384	8.5
285.11331	2.9
286.02774	2.5
289.10913	14.6
293.06720	8.9
299.09265	3.4
301.14514	2.7
311.12897	4.5
315.12418	9.3
315.16095	5.6
317.10275	8.3
317.13763	2.8
318.11172	10.1
325.10815	3.4
325.14490	3.6
328.09433	4.4
333.13467	4.3
343.15607	7.7
345.13464	13.4
359.14975	80.7
359.18219	4.1
360.15448	8.2
361.16537	22.1
361.20428	2.1
367.15479	5.1
375.14395	5.5
385.16617	11.3
387.14459	100.0
388.15125	26.1
397.20221	4.8
415.21396	2.3
509.25299	3.3
553.24384	42.8
554.24384	5.4
597.23291	81.8
597.32550	22.2
597.42004	4.9
598.23572	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	597.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86270	0.6
61.98827	1.4
63.53163	0.4
64.11448	0.4
68.70455	0.3
69.91322	1.6
98.21841	0.5
99.92593	43.5
100.92616	1.1
100.93376	5.1
101.58070	0.3
113.92627	0.5
115.92088	100.0
116.92099	2.8
116.92883	3.4
117.92558	0.4
132.92398	0.7
370.32718	0.5
370.36868	0.5
385.17444	0.4
419.16492	0.4
497.35693	0.5
538.27704	0.7
579.27728	1.1
582.26160	0.6
597.28918	80.5
598.29199	10.7
611.27045	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	597.3044
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99303	2.9
61.98823	2.8
63.34648	1.2
70.56528	3.0
78.95911	2.3
88.98810	21.8
95.22198	1.3
96.96020	2.0
96.96976	1.4
137.91017	1.3
161.02492	2.8
215.45880	1.3
260.04791	1.5
267.62039	1.6
427.24698	3.4
437.30646	3.0
439.32230	24.1
440.32672	3.1
441.33664	4.6
477.29672	3.0
485.32837	11.1
486.33234	2.2
507.30966	100.0
508.31186	12.8
521.29022	2.9
523.30475	2.1
525.31982	2.2
569.31329	2.5
597.22003	3.1
597.30450	23.3
597.38104	7.2
598.29523	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82355	0.7
57.03461	2.0
57.57176	0.6
62.06953	0.8
62.50668	0.6
65.00333	1.0
69.06413	1.1
69.06818	4.6
85.06612	1.1
87.04552	1.1
88.31892	0.6
109.06596	6.7
111.04525	10.0
112.04865	0.9
113.09742	13.0
123.04549	0.7
123.08176	1.9
124.01663	0.8
125.02486	1.5
125.06071	0.7
133.06580	0.9
135.04535	1.0
137.02461	1.0
138.03291	0.8
139.04071	1.1
151.00366	0.7
151.07683	3.0
152.01175	0.9
153.05586	2.6
162.03268	0.9
165.01907	0.7
165.09200	2.0
166.02757	1.7
166.06335	1.3
167.06969	0.7
177.04225	0.6
177.05562	2.9
178.99814	0.7
179.03535	2.1
179.10880	1.0
181.08713	75.7
182.09042	8.0
183.09279	2.6
189.05490	0.7
195.06633	16.9
195.59914	0.6
196.06972	2.3
205.12434	0.8
206.02197	2.2
207.06630	6.8
207.10233	1.7
208.07407	8.8
209.08162	6.5
210.08513	1.3
219.06613	1.7
221.04559	13.4
221.08156	1.1
222.08717	0.8
223.09723	1.6
225.07596	0.9
231.14075	0.7
233.08232	1.7
234.05406	1.3
245.11862	0.9
247.09708	2.8
247.13412	1.7
249.11234	2.3
275.09726	0.7
275.12888	4.1
287.12766	0.6
291.12329	0.8
317.17578	1.0
343.15384	1.8
347.18701	0.9
357.17072	1.3
359.18655	2.4
360.19052	5.5
361.16483	100.0
361.20038	8.7
362.16901	8.9
401.16052	5.5
402.16098	0.8
415.20847	3.6
415.26013	0.8
429.18542	0.7
431.20593	0.9
444.21552	3.7
457.91837	0.7
597.30756	41.9
598.31079	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	597.3286
Annotation	Cyl-2
Peak:m/z	Relative Intensity
51.42665	0.8
57.03452	1.8
59.01382	55.8
61.98835	2.3
69.10876	5.6
71.01391	6.3
73.02953	2.6
83.01388	1.0
85.02945	3.9
87.00916	0.9
89.02434	1.2
96.96040	1.1
99.00883	1.3
101.02455	5.4
109.02962	1.1
111.00929	0.8
113.02446	2.3
113.99541	0.7
125.02477	2.7
131.09232	0.8
137.02452	1.6
139.11301	21.0
140.11682	1.3
161.04620	1.7
163.11333	1.2
165.01938	1.0
168.47871	1.0
169.01453	2.6
179.07103	1.4
181.12375	6.2
183.10265	26.0
184.10553	0.9
209.08197	1.0
209.15558	1.1
213.10324	1.0
225.11353	3.6
243.12471	2.5
285.12466	2.2
299.09256	1.1
389.61499	0.8
440.14166	1.0
579.31793	4.4
597.32880	100.0
598.33423	12.7
602.18170	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11127	0.5
61.98266	0.5
69.09153	3.4
73.72173	0.5
109.06595	1.5
111.04524	1.9
113.09727	4.2
115.13860	0.6
137.02533	0.9
137.14999	0.6
138.03223	1.3
165.01924	2.5
166.01462	0.8
166.02733	7.5
181.07115	1.2
181.08722	22.9
182.09055	0.8
207.06599	3.0
208.07413	29.9
209.07880	1.7
219.06686	1.4
247.09746	10.5
248.10037	0.7
262.12064	0.9
266.34039	0.6
317.21552	0.7
343.18610	0.6
354.62469	0.7
359.18393	1.1
360.19141	1.8
361.20209	100.0
362.20605	6.7
415.24915	21.4
416.25256	1.9
465.91064	0.6
535.29980	0.6
597.34131	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36623	0.4
66.27224	0.4
68.65168	0.3
68.99831	0.4
85.06579	0.6
98.22594	1.0
109.06590	1.7
111.04523	2.3
113.09745	4.5
123.08163	0.4
135.02873	0.4
137.02591	0.4
138.03259	1.1
165.01936	1.7
165.84178	0.4
166.02711	7.9
181.08717	24.1
182.09021	1.9
191.07236	0.7
207.06706	2.8
208.07419	24.4
209.07829	1.9
219.06683	1.5
229.41238	0.5
247.09772	7.0
248.10182	0.8
252.63361	0.4
262.12076	1.0
291.16031	0.5
317.21219	0.8
343.18997	0.8
359.18625	1.5
360.18900	3.3
361.20203	100.0
362.20529	7.1
414.23804	0.8
415.24875	18.0
416.25238	1.6
597.34473	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
61.65405	0.4
98.21795	1.0
102.62239	0.4
104.79781	0.4
109.06577	1.3
109.10648	0.4
111.04518	1.9
113.09740	4.6
123.08194	0.7
136.05249	0.5
138.03252	1.4
165.01965	2.2
165.09203	1.3
166.02707	8.0
166.06412	0.5
167.27357	0.5
177.05653	0.5
181.08714	32.2
182.09023	1.1
207.06616	4.0
208.07407	36.5
209.07977	3.3
219.06706	2.1
231.93674	0.4
233.08191	0.8
238.10063	0.5
247.09758	12.7
248.10091	0.8
261.11346	0.6
262.12079	1.8
274.12213	0.8
291.16016	0.6
317.21207	1.9
343.19199	1.8
343.23105	0.4
361.20215	100.0
362.20538	7.8
415.24918	21.1
416.25339	1.5
508.89288	0.5
597.34521	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79823	0.5
53.14379	0.5
67.47292	0.4
98.21805	1.1
108.66829	0.5
109.06625	2.8
111.04517	2.8
112.98173	0.5
113.09735	7.9
123.08176	0.7
138.03258	1.8
164.62964	0.5
165.01918	2.5
165.09309	1.1
166.02722	13.2
179.10704	0.9
181.08717	35.0
182.09064	1.5
207.06647	4.9
207.13968	0.9
208.07408	41.3
209.08015	2.2
219.06613	2.7
233.08141	0.9
247.09779	12.1
262.12158	1.2
273.14960	0.6
274.12091	0.9
282.92047	0.6
291.15909	1.0
294.11722	0.6
299.20068	0.8
317.21213	2.0
343.19153	1.6
361.20218	100.0
362.20514	7.3
401.56610	0.5
415.24911	14.8
416.25165	1.7
448.63528	0.5
588.36853	0.5
593.36682	0.6
597.33997	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3873
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.8
61.98814	2.4
69.29728	2.7
73.02942	1.0
73.80241	0.5
75.00854	0.5
80.09151	0.4
81.03465	11.1
83.05031	35.9
96.96038	1.4
100.07698	5.5
108.02182	0.6
109.02943	0.6
123.00922	0.5
123.04591	0.7
125.02452	2.0
125.07188	0.5
126.05615	1.0
128.64195	0.4
137.02481	1.5
151.04013	1.0
152.01190	0.7
153.01942	0.5
165.02005	0.7
165.05602	1.7
169.01443	0.9
180.04285	0.5
181.05138	0.6
182.15434	0.6
199.18169	7.4
209.04572	1.4
223.06071	0.5
224.06819	1.7
225.07733	3.6
225.16092	7.6
239.09294	5.3
242.18967	0.4
243.17128	19.4
243.19626	1.1
244.17381	0.5
249.07510	0.7
269.15079	1.4
270.99203	0.5
279.23862	0.5
298.98297	1.0
309.21860	0.8
314.00665	0.9
353.20776	6.0
435.16544	4.2
451.33026	1.8
469.33896	14.0
470.34134	1.1
579.21753	0.5
579.37604	2.9
597.08722	1.3
597.38696	100.0
598.39069	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	598.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02969	6.2
59.01380	2.1
61.98838	22.5
70.58776	3.4
74.02489	14.5
86.02473	9.3
87.05650	3.3
96.23273	1.6
96.95993	2.9
99.05640	15.1
102.05622	1.6
103.25909	1.9
109.02962	3.0
109.04035	2.5
116.01736	2.1
120.01456	1.9
121.01937	1.6
125.03582	2.4
128.03546	39.8
135.05684	3.9
137.02444	2.0
141.06679	2.6
143.04639	51.1
146.04626	3.8
153.06732	4.0
160.00751	12.2
166.09801	2.6
167.08224	2.1
177.03358	5.9
179.04721	8.9
197.05743	1.9
210.08792	11.8
254.07852	19.8
258.17291	1.9
272.08887	32.4
288.06665	8.2
306.07672	100.0
306.21570	1.7
307.07925	3.8
307.71646	1.7
402.84116	2.4
598.28345	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	598.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02982	10.9
59.01377	4.9
60.36272	1.3
61.98834	20.5
71.01372	1.8
71.27984	2.6
72.97514	2.7
74.02481	25.2
81.04569	1.9
82.02988	5.1
83.01394	1.9
84.04581	1.7
86.02483	13.8
86.06089	1.4
87.05656	4.2
96.96011	1.6
97.04088	4.3
99.05647	21.0
100.00439	1.9
101.07229	4.2
102.05634	3.4
109.02954	1.5
109.04089	3.9
111.05664	2.5
112.04031	2.5
121.02956	1.8
123.04507	2.2
123.05649	2.6
125.02503	2.9
125.03580	5.6
127.02209	1.6
127.05151	4.0
128.03554	68.5
135.05627	7.9
141.06735	3.4
143.04631	94.5
145.06224	2.3
146.04633	9.0
153.06717	5.3
159.71614	1.5
166.09901	5.2
167.04672	3.5
167.08266	6.9
169.01390	2.1
171.04202	2.5
171.10303	5.0
179.04645	24.0
181.06252	2.4
185.05690	1.6
192.07849	3.1
195.06532	1.5
197.05766	2.7
209.11771	2.9
210.08868	25.1
228.09874	2.5
254.07851	62.6
256.11340	3.0
272.08896	100.0
273.09232	3.0
289.07278	2.4
291.19681	2.1
325.18442	7.2
469.23676	4.6
580.26984	5.8
598.27997	30.8
599.19873	4.0
599.28278	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	599.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12358	0.8
51.07619	0.9
59.01382	2.5
69.17404	5.9
71.01380	6.3
81.43828	1.0
83.01395	1.1
85.02915	1.3
87.00850	1.0
95.01396	1.3
101.02468	2.9
107.01408	7.4
109.02946	2.9
113.02458	2.8
123.00892	11.2
123.04508	0.9
125.02454	56.5
137.02533	1.0
139.00356	3.3
140.01122	1.5
141.01944	1.1
151.00374	10.0
153.01970	1.4
163.00381	1.3
168.00647	2.8
169.01431	79.2
187.04121	1.0
202.32335	1.0
211.02498	3.1
227.03552	9.9
229.04971	2.8
241.03508	3.4
255.02979	17.3
256.03757	1.8
284.03287	23.0
285.04019	18.7
310.34882	0.9
313.05710	21.8
447.09238	2.9
501.24246	1.0
537.19476	1.5
599.10468	100.0
600.10803	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	599.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	1.3
60.35522	0.4
61.98806	0.6
62.56338	0.4
63.02377	0.9
65.00307	1.9
69.08604	3.8
70.49638	0.5
71.01368	1.6
74.24864	0.4
83.01373	1.6
85.02933	0.8
89.02482	0.7
91.01919	0.7
96.95992	0.4
98.22519	0.9
99.13717	0.5
101.02432	0.9
102.98561	0.5
107.01398	3.9
108.02182	2.0
109.02954	8.2
111.00854	0.9
113.02449	0.5
120.99680	3.4
121.02950	2.3
123.00869	1.5
123.04486	0.8
123.33428	0.4
124.01672	0.7
125.02457	4.7
133.02960	0.5
135.00830	1.0
135.04482	1.0
136.99019	0.6
137.02443	0.8
139.00386	0.6
140.01109	0.5
148.01622	1.3
149.02420	1.1
151.00375	13.2
151.03999	0.5
152.01086	1.3
153.01953	7.9
159.04483	0.7
163.00383	2.3
163.04007	0.7
164.01155	1.0
165.01920	0.8
165.05530	1.3
167.15443	0.4
168.00638	0.6
169.01454	5.5
175.04042	0.5
177.01996	0.5
178.99867	6.4
179.07074	0.7
181.90552	0.4
187.03885	0.4
189.05493	0.5
190.99800	1.2
192.00616	1.3
195.02922	0.8
195.06564	0.7
198.03139	0.5
199.03983	0.9
201.01891	0.6
211.02324	0.6
211.04041	0.8
215.03383	1.0
216.04237	0.9
225.03815	0.6
226.02655	1.4
227.03494	3.3
229.05023	1.0
243.03020	10.6
244.03607	0.9
245.04460	1.3
254.02176	1.9
255.02989	29.7
256.03430	2.0
271.02490	53.9
272.02994	4.6
273.03992	1.0
283.02563	3.4
284.03223	1.0
285.03937	2.8
289.07257	0.6
299.02045	1.8
300.02762	100.0
301.03497	35.0
301.07129	1.2
302.03949	2.0
313.05600	0.8
315.08563	0.6
377.16074	0.6
437.12219	1.1
463.08856	37.4
464.09277	3.7
536.44092	0.4
599.10486	89.1
600.10889	12.4
600.20544	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	6.8
59.01371	3.7
61.98838	11.1
65.00293	1.6
67.01110	1.7
71.01392	2.1
71.29944	1.9
83.01380	3.6
93.03474	5.9
96.21599	1.6
96.96049	2.4
100.59263	1.7
104.23486	1.6
107.01386	6.3
108.23529	1.6
109.02951	4.0
111.00916	2.8
116.92881	2.1
117.03513	1.6
123.00871	2.4
123.04517	4.4
124.01687	4.1
125.02454	83.7
135.04494	2.4
137.02455	13.0
139.04053	2.6
147.04510	1.9
149.02444	5.1
150.03291	4.2
151.00385	13.2
151.04028	6.3
152.01144	7.6
153.01964	11.2
159.04492	10.6
161.02457	3.1
169.01398	3.8
171.04460	2.9
173.06023	3.5
174.03192	4.0
175.04005	17.9
175.07539	2.3
177.01947	24.5
178.99893	10.7
189.05609	3.6
195.06648	2.0
199.04056	8.7
201.01955	4.0
201.05618	10.7
213.05692	2.6
215.03555	2.1
216.04225	1.9
217.04979	8.2
222.37793	1.7
225.05583	3.6
231.06569	2.1
241.05057	7.2
243.06627	100.0
244.06995	4.9
259.06152	3.2
275.02234	3.4
275.05527	4.1
285.04068	66.3
286.04517	4.2
300.99829	4.8
303.01654	2.8
303.05096	54.8
304.05655	2.0
317.03009	5.5
383.29532	1.9
399.41321	1.8
599.14386	26.4
599.23724	3.0
600.13538	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.7
59.01364	3.5
61.98820	5.7
63.01396	1.6
66.43290	1.3
68.99787	1.6
69.03466	1.8
71.01358	1.9
71.05026	2.0
71.28017	1.7
73.02920	1.4
81.03457	2.6
82.95418	1.2
83.01378	6.7
84.95084	1.4
85.02937	1.5
87.00873	4.5
93.03457	2.4
93.38184	1.3
95.01369	3.1
95.05054	3.7
96.96004	3.1
96.96984	1.9
97.02979	8.7
97.03487	1.8
99.04450	1.4
99.92572	2.0
107.05101	1.9
108.02158	2.6
109.02962	41.5
111.04507	2.9
112.41313	1.4
113.02416	1.3
113.06026	1.3
115.92081	3.1
116.92822	1.4
121.02961	6.7
122.03719	2.0
123.00893	2.0
123.04543	20.6
125.02451	16.6
126.45742	1.4
135.04517	4.2
137.02448	29.0
139.04025	12.4
145.59679	1.3
147.04538	4.4
147.22980	1.4
149.02460	28.8
151.04016	21.3
155.10789	8.7
159.04514	3.1
160.05284	1.8
161.02489	6.8
161.06104	4.9
162.03215	2.2
163.04018	3.7
164.01146	4.7
164.04871	6.6
165.01930	4.3
167.03453	2.2
171.10266	2.7
175.04036	3.7
175.07683	1.7
176.01202	3.2
177.01866	4.4
178.02673	2.1
179.03477	10.6
179.07156	6.7
181.08673	2.1
183.06598	2.4
187.03993	4.1
188.04793	4.2
191.03477	6.2
192.04149	1.7
197.06032	2.2
199.07713	1.4
199.09930	1.6
203.07146	16.3
205.05040	6.2
207.06650	1.6
209.08145	6.3
209.11702	1.8
213.05646	7.8
215.07132	39.1
216.07538	1.4
217.04858	1.5
221.08096	3.1
227.07155	3.8
245.08144	15.0
248.06993	1.4
253.04895	1.8
254.05679	1.9
255.06468	2.3
257.08221	15.0
281.04565	4.0
282.05344	44.0
283.05881	4.2
289.07190	85.3
290.07520	3.9
297.07727	48.9
298.08041	2.6
301.07187	100.0
302.07419	5.1
501.32541	1.8
520.49707	1.4
555.25879	1.8
599.14581	9.7
599.25818	2.1
599.35400	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	5.1
57.13548	1.3
57.44979	1.2
59.01374	5.4
61.98839	9.1
65.00330	1.6
68.99181	1.3
69.66108	1.2
74.82854	1.1
75.77846	1.5
78.53892	1.2
83.01399	3.1
88.98784	4.4
93.03457	2.3
96.16653	1.3
98.21741	3.0
107.01403	3.5
108.02200	1.6
109.02954	4.5
109.93906	1.2
112.67606	1.2
121.02948	3.0
123.00900	2.6
123.04531	2.5
124.01685	2.3
125.02464	56.1
126.02870	1.5
130.40968	1.2
137.02486	7.6
139.04002	2.5
147.04494	2.4
149.02428	3.9
150.03232	3.8
151.00360	8.8
151.03975	4.6
152.01135	4.2
153.01915	6.4
159.04527	15.4
161.02496	2.6
161.06131	1.5
165.01851	1.5
165.05598	2.4
169.01430	5.1
171.04527	1.7
172.05254	1.4
173.06067	4.1
174.03200	1.6
175.04030	12.0
175.07671	3.8
177.01926	14.5
178.99855	7.6
181.01323	1.4
181.06535	1.4
185.06075	2.0
188.04897	1.6
189.05571	2.6
199.04019	5.7
199.07690	2.5
200.04721	1.3
201.01950	1.8
201.05582	9.1
217.05083	5.2
225.05640	2.7
241.05078	3.0
243.06625	100.0
244.06969	4.1
259.06088	2.7
275.01953	1.6
275.05533	2.6
285.04050	47.0
286.04510	2.7
300.40897	1.4
300.99881	2.7
303.01663	1.5
303.05103	31.7
304.05322	1.7
317.03024	2.8
537.19763	1.3
599.13708	17.2
599.23810	5.5
600.13989	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39422	0.4
59.01372	1.0
61.98835	0.7
70.41273	1.2
71.01388	2.3
73.02940	0.7
85.02942	1.5
90.56467	0.4
90.67664	0.4
93.03468	0.5
95.01398	0.8
101.02438	0.8
108.02166	0.9
109.02269	0.5
109.02962	6.7
113.02464	1.0
121.02982	2.8
122.03770	0.6
123.00896	12.6
124.01672	12.9
125.02451	2.7
133.02950	1.1
134.03754	4.3
135.04552	2.9
137.02426	1.2
138.03262	2.1
139.04019	4.1
145.02965	2.5
147.04518	0.8
149.06081	1.2
153.01852	0.5
157.74216	0.4
165.01929	0.9
166.02682	0.5
169.01468	0.6
172.05225	0.5
179.03566	0.5
188.82986	0.4
198.06915	0.4
209.06133	1.4
211.07651	0.7
212.04764	0.8
213.05545	1.1
226.06432	0.7
227.07152	1.2
228.07957	0.5
237.05563	3.1
238.06349	2.4
239.07172	2.4
240.04297	1.2
241.05107	3.2
253.05040	1.3
254.05821	3.7
255.06641	17.5
256.07407	11.2
257.07950	0.8
267.02979	0.9
269.08130	0.9
270.08960	2.7
271.09732	11.0
272.10080	0.8
273.07715	0.7
283.06094	1.2
285.07721	0.9
297.07666	0.9
299.05615	1.1
300.06387	5.9
301.07175	1.5
314.07950	1.5
315.08765	23.2
316.09076	1.5
329.10205	0.9
357.09930	1.6
417.11975	0.4
429.11945	0.9
443.13339	2.2
445.11218	0.5
459.12909	7.7
460.13782	0.6
473.14642	0.8
571.69037	0.4
599.17688	100.0
600.18103	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	599.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	14.2
61.98838	9.7
69.11272	8.2
69.11693	7.4
71.01385	14.9
72.99316	2.9
73.02936	2.5
79.01899	3.9
83.01419	2.4
85.02963	5.0
89.02465	3.7
92.95789	1.9
93.02779	1.6
93.03436	2.7
95.01401	3.6
96.96017	2.1
97.02956	3.9
98.22536	4.5
99.00888	2.3
100.48140	1.8
101.02447	5.6
107.01394	12.8
108.02190	2.3
109.02966	10.4
111.00896	5.3
113.02439	5.1
119.85989	1.6
120.99603	2.3
121.02984	5.7
123.00904	30.3
123.04519	3.4
124.01675	36.3
125.02467	47.9
127.00483	2.0
134.03748	8.0
135.04521	5.9
137.02408	2.8
139.00389	8.1
139.04005	8.8
139.11328	2.3
139.12613	1.9
140.01181	4.7
141.01932	4.0
145.02914	2.6
149.06108	3.2
151.00392	23.8
151.04024	4.2
153.01903	2.0
154.00645	2.2
163.03972	3.2
165.01929	3.4
167.03528	5.0
168.00572	3.2
169.00003	3.6
169.01443	59.3
171.10349	2.5
179.03389	2.9
183.10190	3.1
186.22192	2.1
187.04021	2.0
209.06000	3.5
209.11880	2.4
223.02458	7.0
237.05582	5.1
238.06178	1.9
239.07083	4.2
241.05180	3.4
243.12395	2.3
254.05898	6.9
255.06645	17.7
256.07449	12.5
270.09100	2.7
271.09860	10.5
283.04483	10.2
287.08923	2.1
300.06418	6.8
314.08353	2.2
315.08768	24.2
329.10294	3.1
343.06757	7.8
355.40820	2.1
459.12912	8.0
499.94769	1.9
563.30884	3.4
599.16907	77.0
599.23749	100.0
600.17682	10.9
600.24432	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	599.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12406	0.3
57.03453	0.3
59.01375	1.3
61.98814	0.8
70.65134	0.3
71.01391	2.3
71.29580	0.5
73.02937	0.5
83.01384	0.5
85.02949	1.1
87.00862	0.4
93.03453	0.6
95.01366	1.2
97.02971	0.3
100.58240	0.3
101.02457	1.4
107.01408	0.4
108.02161	1.0
109.02956	7.7
113.02460	1.0
121.02951	3.3
122.03732	0.7
123.00898	12.7
123.04558	0.6
124.01682	12.8
125.02479	3.7
133.02954	1.3
134.03757	5.5
135.04547	3.8
137.02454	1.2
138.03229	2.7
139.00395	0.6
139.04037	4.5
145.02962	3.2
146.03761	0.5
147.04512	0.9
148.05309	0.7
149.06091	1.2
150.29565	0.3
151.00359	0.9
151.04005	0.9
153.01968	0.6
156.81461	0.3
159.04500	0.3
160.05295	0.4
165.01970	0.9
167.03601	0.4
167.70010	0.3
169.01437	0.7
173.06146	0.4
177.01860	0.3
178.02811	0.4
179.03508	0.5
181.05067	0.4
185.06131	0.5
191.03595	0.4
192.04242	0.5
193.05005	0.5
197.06015	0.5
198.06903	0.4
199.07658	0.6
209.06146	2.1
210.06885	0.4
211.07713	0.7
212.04793	0.5
213.05571	1.0
223.03946	0.4
224.04802	0.4
225.05586	0.8
226.06252	0.7
227.07108	1.4
237.05608	3.8
238.06325	2.8
239.03474	0.7
239.07135	3.5
240.04248	1.3
240.07913	0.5
241.05104	3.3
242.05745	0.4
243.06578	0.5
251.07199	0.5
253.05101	1.3
254.05804	3.5
255.06644	18.2
256.07397	11.7
257.07947	1.0
259.06012	0.5
265.04935	0.5
269.08182	1.1
270.08926	2.7
271.09784	10.2
272.10056	0.5
273.07779	0.5
281.04538	0.5
283.06055	1.0
284.06995	0.5
285.04352	0.3
285.07645	0.6
287.09143	0.4
297.07715	1.1
299.05609	1.3
300.06363	6.3
301.07111	1.1
314.07959	1.5
315.08755	22.7
316.09082	1.5
329.10342	1.1
357.09940	1.3
387.10901	0.4
429.12003	0.9
443.13684	2.3
445.11230	0.5
459.13074	7.4
459.19580	0.5
460.13516	0.8
473.14615	1.1
500.58270	0.4
599.17688	100.0
600.18018	14.1
600.27588	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20980	0.8
54.21236	0.8
57.03453	1.7
59.01375	2.3
61.98829	4.1
69.03475	1.2
69.57281	0.7
71.01370	1.5
71.28571	0.8
81.03467	2.7
83.01390	5.5
88.98819	3.2
93.03474	3.9
93.58672	0.7
95.05032	2.9
97.02950	5.9
101.02410	1.0
102.46491	0.8
107.05056	1.2
108.02187	2.1
109.02959	31.6
111.00829	0.8
111.04527	0.9
119.05076	1.1
121.02945	5.7
122.03758	1.6
122.97609	1.8
123.04543	17.6
125.02460	16.9
133.02972	1.0
134.03751	1.0
135.04538	4.0
137.02454	24.8
139.03999	7.7
139.04903	1.0
139.11310	0.9
145.02939	1.2
146.03789	1.3
147.04549	2.5
149.02458	12.4
149.06120	2.2
150.03258	1.3
151.04025	14.5
157.06703	1.1
159.04521	3.6
160.05287	3.3
161.02470	4.0
161.06097	6.7
162.03185	2.2
163.04010	4.7
164.01166	2.9
164.04750	1.4
165.01958	7.5
165.05560	1.1
167.03494	1.9
171.10310	1.1
173.06107	0.9
174.03287	1.0
175.03999	3.6
175.07692	1.6
176.01138	1.2
177.01906	1.9
177.05573	1.6
178.02742	1.6
178.40866	0.8
179.03506	8.6
183.10286	2.9
185.06013	1.0
187.04059	4.2
188.04715	4.2
190.02585	1.1
191.03561	3.3
192.04169	0.9
201.05678	0.9
202.06465	1.3
203.03662	1.7
203.07133	12.3
205.05032	11.8
209.11884	2.3
213.05609	3.9
215.07130	20.2
221.08122	2.1
227.07114	1.9
231.02942	1.0
232.38217	0.9
245.08167	15.5
247.06264	1.3
255.06615	1.4
257.08157	5.4
265.08627	2.2
267.06647	2.2
271.09784	1.9
281.08319	3.6
282.09018	8.0
289.07190	100.0
290.07422	4.9
297.11328	28.2
298.11685	2.0
301.07181	48.4
302.07233	2.2
315.08673	4.6
394.94986	0.9
447.14896	1.3
481.48224	1.0
599.19043	16.8
599.28925	1.9
600.19489	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	599.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77984	0.5
53.97649	0.6
59.01376	1.9
65.02118	0.6
66.86054	0.6
67.01910	1.5
69.25670	3.6
69.47399	0.6
71.01374	4.9
72.99307	1.0
79.01897	0.9
85.02927	1.2
88.98817	0.7
89.02441	0.8
93.03475	3.2
95.01408	1.5
96.96033	1.2
97.02950	1.2
101.02448	1.0
107.01389	3.2
109.02947	0.9
111.00866	4.4
114.96867	0.5
117.05611	0.8
119.05034	1.1
123.00900	11.1
124.01698	3.3
125.02458	17.3
127.00378	2.1
136.98833	2.3
137.02394	0.9
139.00383	6.2
139.03998	1.2
140.01176	6.2
141.01961	1.6
151.00380	5.1
151.04004	1.1
154.99831	0.9
163.03975	1.5
165.01935	3.5
166.99919	1.6
168.00647	12.4
169.01439	21.8
173.71758	0.6
177.04169	1.3
179.03491	1.6
180.04221	1.5
181.01427	0.9
181.05101	9.2
182.02180	1.3
182.05785	1.0
183.02995	4.3
191.05603	2.9
195.06653	2.0
196.07430	5.9
197.08203	0.7
210.01732	1.3
211.02524	6.8
211.09767	2.2
225.04007	4.7
225.07710	1.8
241.03635	0.8
267.05200	0.8
271.04657	2.6
285.06104	2.8
313.05774	1.2
322.43466	0.7
371.09891	1.6
373.15198	1.1
373.49103	0.7
387.09338	1.7
401.11148	0.7
482.71521	0.7
514.19299	0.7
551.11884	0.6
551.21539	2.1
587.85779	0.7
599.19836	100.0
600.20178	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	599.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	5.6
64.94279	1.9
71.29557	1.7
78.95880	1.9
80.26441	1.4
82.95459	1.6
88.98760	2.0
96.96004	2.1
99.92588	21.6
115.91337	2.1
115.92089	21.6
116.92874	14.2
122.03763	1.8
125.09729	1.6
133.27258	1.5
135.60980	1.7
150.03201	6.7
161.76483	1.6
161.86124	1.7
165.01967	4.1
165.05554	6.6
180.04263	8.5
182.20027	1.5
193.08694	2.2
195.06648	14.6
214.56786	1.5
351.32968	1.9
433.89005	1.7
451.28461	3.0
499.31335	2.4
501.31842	2.4
551.21320	3.1
581.22015	3.6
595.19843	4.7
599.23145	100.0
600.23743	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	599.235
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13851	0.6
57.03430	0.9
57.42297	0.7
59.01374	4.1
61.98840	0.9
67.01882	0.9
69.03440	1.2
71.01392	8.8
72.99303	1.1
73.02952	1.3
79.01898	1.0
83.01376	0.8
85.02957	3.4
95.01381	2.1
97.02935	1.3
98.22555	1.3
99.00871	0.8
101.02458	1.9
107.01400	9.4
107.05125	0.7
109.02956	4.9
111.00893	2.4
113.02429	2.5
116.69853	0.7
121.02943	2.3
123.00011	1.2
123.00893	20.0
123.04463	1.0
124.01680	17.3
125.02461	34.1
134.03821	3.1
135.04515	2.4
136.98828	1.7
137.02402	0.9
138.03209	1.1
138.63950	0.6
139.00410	5.9
139.03999	3.2
140.01195	3.7
141.01917	1.8
145.02942	1.9
147.04485	0.8
149.02472	1.0
149.06140	1.3
151.00378	18.2
151.04008	1.1
153.01947	1.1
163.04012	0.9
165.01923	0.8
166.02718	0.7
168.00644	2.9
169.01442	44.3
170.01689	1.1
179.03542	1.2
183.10248	1.3
193.05043	0.8
195.03032	0.8
209.06116	1.1
211.02425	1.4
223.02415	5.8
226.06168	0.7
237.05551	2.3
238.06332	1.8
239.07079	1.9
240.04184	0.9
240.07977	0.7
241.03192	1.1
241.05280	1.5
253.05174	1.0
254.05882	3.1
255.06567	9.1
256.07391	7.1
257.07980	0.9
270.08936	2.1
271.09753	5.4
283.04498	10.1
283.39810	0.7
290.57584	0.8
297.07538	0.9
300.06339	4.4
301.06003	1.4
314.08002	0.9
315.08771	13.3
329.10275	2.0
343.06775	7.1
357.09528	1.2
403.08813	0.7
443.13586	1.3
459.12912	2.9
599.16254	27.8
599.25012	100.0
600.17200	6.6
600.24048	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	599.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.0
59.01386	18.7
61.98837	1.5
63.11426	1.3
65.00317	1.3
65.92041	1.2
67.01887	1.3
69.82742	5.5
71.01381	17.1
72.99326	2.9
73.02940	5.5
77.03154	1.2
83.01393	7.4
85.02950	8.4
87.00894	2.5
89.02444	3.0
93.03456	1.8
95.01406	3.8
96.95996	1.7
99.00867	2.8
101.02438	14.8
107.01395	3.6
108.02204	1.9
110.00085	10.6
111.00896	7.7
113.02425	4.4
116.92857	2.0
119.03467	2.1
123.00903	7.5
124.01648	1.3
125.02430	9.2
136.01590	2.1
137.02455	21.8
137.99590	3.3
138.03093	1.4
139.00372	14.2
139.03993	2.2
140.01158	3.1
147.00909	2.3
148.01640	3.7
149.02406	4.3
150.03276	1.6
151.00414	7.3
151.03986	2.2
152.01183	2.8
161.02475	1.9
161.04622	1.8
162.03212	1.6
163.04028	5.8
164.01111	3.1
164.04817	4.3
165.01936	94.7
165.99036	8.1
166.02325	2.7
166.99867	8.1
168.00636	6.0
169.01445	11.5
177.01875	2.0
178.99866	5.5
179.03502	27.0
179.07117	3.6
180.04291	52.1
181.05055	11.2
193.08662	2.2
194.05916	6.2
194.99387	1.5
195.02931	2.3
195.06631	62.0
196.07414	10.4
198.03152	1.9
199.03944	3.3
201.01881	1.7
209.08377	1.4
210.05377	10.8
211.02541	2.0
211.09749	10.7
215.03479	2.4
225.04140	2.6
225.07678	45.1
227.03558	3.6
231.02917	2.2
242.02240	4.6
243.03032	4.5
256.24881	1.4
259.02481	1.8
270.01697	5.9
271.02487	24.5
272.02826	3.3
287.01987	27.1
288.02765	2.7
288.71964	1.3
299.02231	1.5
316.02234	47.1
317.02896	14.4
346.65613	1.3
358.12811	1.7
359.11285	4.2
373.15002	31.9
374.14099	4.0
389.16022	8.5
479.08392	10.8
551.21362	100.0
552.21820	9.6
599.10284	61.2
599.20221	35.7
600.10687	9.7
600.20435	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	599.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30418	0.4
55.01860	0.9
55.37408	0.4
59.01382	6.3
59.92842	0.4
61.98837	2.8
67.01890	0.7
69.03448	0.7
69.62152	1.6
71.01385	3.9
72.99275	0.7
73.02942	1.1
77.03616	0.4
79.01900	1.9
83.01388	1.3
84.97707	0.4
85.02959	4.6
89.02439	0.6
95.01386	2.0
97.02937	0.7
99.00883	0.7
101.02460	3.2
107.01403	7.9
109.02950	1.4
110.03891	0.5
111.00900	2.2
113.02450	4.8
121.02962	0.6
123.00892	17.4
123.04389	0.6
124.01698	1.1
125.02455	26.8
126.02867	0.6
131.03531	0.8
136.98819	1.2
137.02464	0.5
138.03233	0.9
139.00368	6.0
139.04002	0.5
139.11259	1.1
140.01187	2.6
141.01987	2.4
146.66188	0.4
149.02415	1.1
149.99721	0.6
150.99187	1.1
151.00372	15.6
153.01967	2.6
161.04515	0.5
165.01959	0.9
166.02721	1.4
166.99896	0.7
167.03523	1.1
168.00652	2.9
169.01437	32.9
170.01778	1.2
175.03970	0.5
177.01979	0.7
179.03499	1.0
181.05072	0.6
183.10306	1.9
193.01343	1.6
211.02502	1.3
223.02541	0.9
225.04028	0.6
242.01491	0.5
283.04602	9.7
284.04736	0.6
297.06168	1.3
309.42194	0.5
343.06720	3.5
373.07990	0.6
403.08521	1.0
509.12839	0.8
510.52994	0.5
524.04181	0.5
581.16309	1.6
599.23407	100.0
600.23712	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	599.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00578	2.5
59.01381	17.0
61.98834	3.0
69.05945	18.1
71.01391	13.7
73.02961	3.0
74.66984	2.4
81.03468	8.6
83.01382	6.9
85.02955	4.9
87.22700	2.1
89.02450	13.0
93.03466	4.8
95.05045	4.9
96.96025	4.7
97.02927	2.8
101.02450	9.6
109.02929	3.6
113.02469	3.3
116.92852	3.5
119.03526	5.2
123.04543	14.6
124.04902	5.8
125.02455	19.1
126.02794	5.4
135.04539	4.3
137.02460	25.1
137.06126	3.6
139.04036	3.1
149.02489	3.6
151.04053	9.9
153.01910	2.6
163.04021	3.8
165.01944	77.2
165.03278	4.8
165.05635	6.4
166.02541	4.5
166.05844	2.4
167.03523	21.2
168.03848	8.9
169.01430	7.1
169.04103	5.9
177.01974	4.1
179.03520	94.2
179.05212	4.5
180.04291	55.5
180.88159	2.4
181.04958	2.9
189.05722	3.1
191.03558	4.1
191.98361	2.7
194.05849	86.6
195.02939	2.7
195.06639	63.2
205.05011	3.5
209.04588	8.2
209.08209	100.0
210.05045	11.7
210.08545	2.6
225.07730	45.7
225.76578	2.3
227.09277	10.0
233.00856	2.5
233.04466	2.8
235.04932	2.5
263.68503	2.8
271.04648	2.6
275.02100	3.0
289.07257	8.2
290.26218	2.5
300.99796	4.5
315.08762	34.7
316.09103	30.4
317.09311	39.1
339.08679	6.9
340.09094	3.1
341.09216	8.5
347.10297	2.8
373.15030	10.1
389.16180	9.0
428.98380	2.4
437.12817	3.3
437.18274	7.1
441.56390	2.7
477.13986	7.4
478.14435	10.9
479.14603	56.5
537.19751	6.1
551.21368	33.7
552.21912	5.1
599.23505	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	599.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.3
59.01390	12.2
61.98822	5.3
67.01885	3.0
69.18870	10.8
70.76305	1.5
71.01387	14.5
72.99346	1.8
73.02944	4.6
74.99097	5.9
80.57134	1.6
83.01380	2.5
85.02962	5.9
87.00864	3.1
88.98791	2.0
89.02446	6.3
93.03464	2.3
95.01422	3.8
96.95987	2.9
99.00893	2.5
101.02445	11.1
102.98601	2.5
107.01395	2.5
108.02199	3.0
109.02943	3.6
111.00902	2.2
113.02468	5.4
116.92863	2.1
119.03472	4.7
120.99726	3.3
121.02952	2.8
123.00876	4.7
123.04514	9.0
124.01703	3.0
125.02467	17.5
134.13898	1.5
135.04514	6.1
136.01723	2.1
136.99110	4.8
137.02475	22.6
137.93285	1.6
139.00424	2.3
139.04022	3.3
140.01152	3.0
145.03033	1.7
149.02492	2.6
151.00368	3.3
151.03990	6.3
152.01125	5.1
152.04787	2.4
153.01921	2.2
153.05592	2.1
155.03477	1.8
161.02484	3.8
161.04562	2.8
163.04007	2.3
164.04800	3.4
165.01952	100.0
166.02214	2.8
167.03513	3.4
168.00645	2.5
169.01454	17.6
177.01949	2.1
177.05783	1.9
179.03519	51.3
179.05280	2.8
179.05653	2.3
179.07016	2.1
180.04297	58.4
181.05098	8.5
183.06630	2.6
194.05855	34.0
195.02913	2.5
195.06630	79.9
196.07089	4.6
209.08206	40.7
210.05316	14.0
210.08395	2.2
211.02431	4.6
211.09731	5.7
212.06801	3.3
225.07695	59.3
226.08115	1.7
227.03537	3.3
227.09187	9.6
241.09676	1.6
271.04654	4.7
281.06714	6.8
283.05008	3.6
284.03381	2.7
285.03973	1.9
289.07083	3.8
299.09033	2.1
313.05597	2.6
315.08725	7.4
316.08963	3.5
317.09390	3.4
318.35077	1.8
373.15051	18.7
374.13901	2.0
377.16034	3.4
389.16083	5.6
437.12091	2.6
437.18240	5.0
479.14423	3.2
537.19684	4.4
551.14001	2.3
551.21472	39.8
552.22119	3.4
599.11072	11.4
599.21936	10.8
599.33044	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.2
57.03457	1.8
59.01387	19.0
61.78799	0.9
61.98810	1.2
62.17022	1.2
65.00337	1.3
65.41718	0.9
67.01897	2.0
67.14010	1.1
69.62404	1.5
69.62795	2.9
70.03401	1.1
71.01385	17.5
71.11027	1.0
72.99312	2.2
73.02946	7.0
75.01288	1.0
76.78922	1.0
83.01385	5.6
85.02951	8.9
86.00124	1.5
87.00867	1.3
88.98818	1.2
89.02474	3.8
93.03507	1.4
95.01398	3.0
96.96020	1.6
97.02973	1.1
98.22539	1.3
99.00898	3.4
101.02454	11.7
102.26849	1.2
107.01417	1.9
109.02993	2.0
110.00131	1.9
111.00898	2.9
113.02474	4.2
115.65427	1.1
116.92841	1.3
117.03477	1.1
119.01385	1.5
119.03533	1.8
123.00906	6.5
124.01740	1.3
125.02453	10.7
126.82557	1.1
127.00327	1.6
136.01678	1.9
137.02455	16.2
138.03247	1.4
139.00374	6.8
140.01181	3.8
141.23421	1.0
144.39786	1.1
147.00861	2.5
148.01685	3.8
149.02463	2.9
150.03204	1.1
151.00404	4.5
151.04018	2.6
161.04587	1.7
163.04066	5.3
164.01164	1.9
164.04776	2.7
164.94762	1.3
165.01939	100.0
165.99097	2.3
166.02356	3.0
166.99820	1.6
167.03510	1.1
168.00653	7.6
169.01427	12.7
175.03893	1.2
179.00009	1.3
179.03522	22.0
179.07123	4.1
180.04285	52.6
181.05054	9.8
183.02974	2.8
194.05905	5.0
195.06638	51.9
196.07370	13.2
197.08080	1.2
210.05362	11.1
211.02464	4.1
211.09731	7.8
225.04068	3.4
225.07686	37.6
226.08185	1.5
243.03099	1.4
271.02380	4.9
287.01987	4.9
289.68643	1.1
316.02271	10.2
317.03024	3.0
359.11502	2.8
373.15051	28.9
374.14178	4.6
389.16269	7.7
536.19629	1.1
551.21375	96.0
552.21643	11.7
599.10339	13.6
599.20111	50.7
600.20624	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	599.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	3.6
57.92935	1.8
59.01364	4.5
69.39901	8.4
69.40319	4.4
73.62119	1.8
85.02951	15.1
85.06599	8.7
85.31495	2.0
87.04536	6.1
93.03449	1.7
95.01426	6.3
95.05042	7.4
96.49501	2.0
97.02965	6.0
98.21793	3.7
107.05023	2.0
109.02951	3.8
109.06595	4.2
111.00896	2.5
111.04521	42.7
111.08128	4.0
113.02465	15.1
113.06126	3.0
113.09776	2.4
115.92110	2.9
117.50866	1.9
121.02937	2.0
121.06554	2.0
123.08183	4.8
125.02383	3.6
125.06077	3.1
125.09740	5.4
129.01953	18.7
135.08138	2.6
137.06042	2.1
138.03252	2.3
139.04037	12.5
139.07634	2.8
141.05563	2.5
147.08238	2.4
151.03989	2.4
151.07707	2.3
153.05476	2.2
155.07204	3.0
163.07675	3.9
165.01912	3.2
165.05592	5.7
165.09218	32.5
166.02718	8.5
166.06372	3.9
168.55618	2.0
169.08664	2.8
172.12128	2.0
179.03455	2.5
179.07114	10.4
181.05128	5.0
181.08720	19.3
183.06635	49.1
187.09792	2.3
191.07109	2.2
193.05159	3.4
193.08762	3.1
195.06642	3.5
201.35579	2.2
205.05110	2.8
207.06627	17.4
208.07413	26.9
209.08200	100.0
210.05382	4.3
210.08640	3.8
210.52417	2.0
211.05962	2.1
219.06691	4.3
221.08232	4.5
223.06154	4.6
223.09764	5.3
225.07692	98.4
226.08061	2.6
233.08310	4.5
235.09824	2.4
237.07767	4.9
247.09798	5.2
248.06905	18.4
249.07645	6.0
255.92860	2.6
261.07803	5.3
262.08426	2.7
263.09253	2.4
274.08624	3.7
275.09271	4.9
275.12845	3.2
277.10870	3.8
291.08765	6.0
295.15604	2.2
303.12433	3.7
312.58423	1.9
317.10455	4.3
345.17233	5.2
361.15826	3.7
361.20251	71.1
362.20590	3.9
363.14322	3.3
363.18164	12.6
368.12738	5.8
369.13303	9.3
373.16577	53.7
374.16672	4.9
375.18134	11.3
389.16055	37.6
411.14490	51.1
412.15201	4.3
415.17886	4.2
431.62738	2.1
441.15286	2.1
501.33798	2.8
521.21967	4.6
537.24890	2.8
555.05713	2.0
581.24011	24.6
596.02539	2.5
599.24847	41.4
600.25482	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	599.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84792	0.4
57.03453	0.8
59.01384	3.9
61.98825	2.3
71.01395	2.9
73.02951	0.6
85.02941	0.6
88.98846	0.6
89.02467	1.5
91.34746	0.5
96.96026	0.6
98.21812	1.3
99.92659	0.5
104.69900	0.7
111.04530	1.1
112.60490	0.4
113.02419	0.5
113.09739	1.3
115.92109	1.5
116.92831	0.6
119.59143	0.5
125.09786	0.8
126.60215	0.5
131.01384	0.6
131.03490	0.6
140.80481	0.5
161.02420	0.5
165.01965	1.0
173.02438	2.3
175.00391	2.7
180.04385	0.6
181.08720	9.0
183.06708	0.6
195.06667	0.7
219.06824	0.6
225.07788	0.7
228.04254	0.6
230.05853	0.8
231.06630	1.2
243.06625	29.8
244.07040	1.9
245.08150	3.2
257.08255	1.2
266.05838	0.6
273.07690	13.2
285.07706	6.5
294.05368	2.7
297.07596	1.1
307.09866	1.6
309.07712	54.7
310.08023	3.0
311.09384	0.7
323.09305	1.2
327.12445	1.1
333.07666	1.0
339.08792	4.3
345.09961	0.7
349.65891	0.6
350.67523	0.5
351.08752	11.4
358.65674	0.5
363.10999	6.6
367.15515	20.5
368.15884	1.2
378.11411	0.7
393.13483	3.8
397.16525	2.8
403.11728	1.3
409.16663	8.2
410.16379	0.7
420.94348	0.5
421.12894	14.9
422.13232	1.4
429.11499	0.6
433.13452	0.7
461.19751	1.0
463.90213	0.6
479.20694	14.7
480.20978	1.4
487.19885	1.2
541.17188	5.0
599.25049	100.0
600.25336	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	599.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31211	1.5
59.01377	4.5
61.98834	16.5
63.30748	2.1
68.99574	3.3
71.01372	4.7
73.02953	3.9
75.24107	1.8
85.03001	3.3
87.00895	2.0
87.04582	1.6
88.98836	3.8
96.96012	4.2
97.06602	2.2
101.02493	2.0
108.88984	1.8
109.02975	3.2
112.98595	2.7
121.02938	11.6
123.04552	4.3
125.02447	6.4
134.03691	1.9
135.04623	2.3
135.08228	5.2
137.02484	4.8
137.09749	21.9
137.98561	1.9
139.00391	3.7
149.02469	3.7
150.03252	7.9
151.00348	3.6
151.04025	5.6
153.05545	3.5
155.10797	67.5
156.11118	3.5
165.01999	2.5
165.05618	9.8
166.06371	51.2
167.07118	3.9
169.01427	2.6
175.04076	2.7
179.07170	2.4
181.05144	2.3
181.08733	28.3
195.06685	4.6
197.04536	12.3
199.09798	12.7
213.11125	2.0
223.09877	2.7
232.51674	1.9
241.05090	4.5
257.08243	4.5
373.13171	3.0
403.14307	5.6
417.17465	2.5
561.23083	2.4
599.27289	100.0
600.27759	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	599.271
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50238	1.4
53.87562	1.4
56.62629	1.1
57.03446	3.1
57.72252	1.4
59.01384	47.6
61.98847	5.7
64.71929	1.0
71.01390	12.2
73.02953	4.9
73.37028	1.0
83.01377	2.3
85.02956	6.9
87.00906	1.4
87.04519	13.6
89.02458	4.6
93.81568	1.0
95.01397	2.5
99.00925	1.6
101.02451	9.3
101.76454	0.9
113.02463	5.1
119.03542	2.2
123.00909	2.4
124.01694	4.4
125.02469	4.1
135.04535	1.8
137.02451	1.4
137.09747	1.7
138.03241	1.8
139.04021	1.8
139.11298	36.0
139.12338	2.2
151.00351	1.9
152.04834	1.2
161.04565	2.5
163.03983	1.5
163.11301	2.0
165.09258	1.9
167.03534	3.9
169.01399	2.2
171.10307	1.3
179.03502	1.3
179.05734	1.3
181.05075	4.3
181.12335	6.3
182.05916	1.2
183.10266	56.2
184.10628	2.7
196.07419	6.4
209.08139	1.2
209.11801	1.2
211.09836	7.9
225.11356	3.0
243.12334	3.2
255.06639	2.4
256.07217	1.9
297.57352	1.2
300.06326	1.6
315.08719	2.9
326.10022	1.9
340.11475	1.4
341.12473	4.4
347.16226	1.3
355.14044	6.8
358.12747	2.0
359.13483	3.5
373.15030	6.5
451.21805	5.6
459.13293	1.7
511.46207	1.3
525.23230	1.5
539.26355	5.6
549.23279	1.6
563.30493	1.3
581.25916	8.1
599.18115	10.1
599.27124	100.0
600.18628	1.9
600.27472	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31211	1.5
59.01377	4.5
61.98834	16.5
63.30748	2.1
68.99574	3.3
71.01372	4.7
73.02953	3.9
75.24107	1.8
85.03001	3.3
87.00895	2.0
87.04582	1.6
88.98836	3.8
96.96012	4.2
97.06602	2.2
101.02493	2.0
108.88984	1.8
109.02975	3.2
112.98595	2.7
121.02938	11.6
123.04552	4.3
125.02447	6.4
134.03691	1.9
135.04623	2.3
135.08228	5.2
137.02484	4.8
137.09749	21.9
137.98561	1.9
139.00391	3.7
149.02469	3.7
150.03252	7.9
151.00348	3.6
151.04025	5.6
153.05545	3.5
155.10797	67.5
156.11118	3.5
165.01999	2.5
165.05618	9.8
166.06371	51.2
167.07118	3.9
169.01427	2.6
175.04076	2.7
179.07170	2.4
181.05144	2.3
181.08733	28.3
195.06685	4.6
197.04536	12.3
199.09798	12.7
213.11125	2.0
223.09877	2.7
232.51674	1.9
241.05090	4.5
257.08243	4.5
373.13171	3.0
403.14307	5.6
417.17465	2.5
561.23083	2.4
599.27289	100.0
600.27759	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	599.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57486	0.8
59.01382	1.5
60.69826	0.8
61.98840	2.0
69.94299	2.6
74.04422	0.9
74.22984	0.9
75.80328	0.8
83.05022	1.1
88.98857	1.2
96.96030	1.2
99.92599	6.5
109.02955	1.2
115.92081	7.0
116.92887	4.7
125.09755	1.1
135.04503	0.9
137.02454	43.7
139.36047	0.8
152.04791	6.2
167.07167	2.8
181.05078	28.2
184.03819	1.6
196.07419	65.6
197.07990	5.3
211.09767	100.0
212.10078	5.1
392.38611	0.9
405.19138	8.0
406.19727	1.3
439.32175	1.2
467.31546	1.2
527.29156	3.3
537.23242	1.1
599.23260	8.7
599.31995	1.8
600.23645	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	600.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.4
61.98834	5.8
71.01392	4.7
71.29842	1.2
72.99321	0.9
74.19579	0.9
85.02966	1.5
89.02452	1.2
95.01392	1.9
96.96031	0.9
101.02441	2.2
107.01384	3.2
109.02941	1.1
111.00890	2.9
113.02463	1.8
120.99625	1.1
123.00893	9.2
124.01675	1.3
125.02463	15.9
137.02473	1.7
139.00372	4.2
140.01183	2.1
141.01910	1.7
151.00363	8.0
159.96359	1.0
163.04025	1.5
165.01898	2.2
167.07266	1.3
168.00636	5.2
169.01434	21.9
170.01703	2.0
173.65189	0.9
181.04970	1.7
191.39511	1.0
195.06686	1.4
199.46722	1.0
205.12344	1.0
211.02452	5.3
271.04639	4.0
272.02646	0.9
275.09128	1.8
281.06726	1.5
287.01871	1.4
297.05771	1.0
304.92407	1.0
310.43082	1.0
313.05569	2.3
316.02365	1.0
395.13498	2.8
449.06818	1.9
537.19800	100.0
538.20270	10.6
543.97968	1.0
600.10590	6.7
600.20746	3.1
601.21313	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.0
59.25054	1.0
61.98846	8.2
63.74886	1.1
69.72556	3.2
71.01394	5.3
72.99303	1.3
79.95750	7.0
83.01384	1.9
85.02974	1.3
89.02451	1.2
95.01403	2.0
96.75216	1.0
96.96021	91.2
107.01402	4.9
107.77462	1.1
109.02955	1.3
111.00923	4.5
117.92879	1.6
120.60748	1.1
123.00901	11.3
123.04547	1.3
124.01662	1.2
124.41300	1.0
124.68327	1.2
125.02454	24.7
136.98822	2.0
137.02464	2.6
139.00366	6.1
140.01170	7.0
141.01875	1.7
151.00432	8.4
153.01949	1.2
154.45444	1.1
165.01956	2.8
167.03523	3.9
168.00661	19.9
169.01450	27.7
180.04312	1.6
181.05063	1.4
211.02493	5.2
243.06514	2.6
271.04630	5.4
274.21753	1.2
287.05579	1.2
289.07199	1.8
297.06235	3.5
300.99838	2.0
313.05627	4.5
314.06329	1.6
482.10184	1.5
519.18762	18.4
520.18933	2.2
537.19818	100.0
538.20190	11.8
557.13098	2.2
600.19476	1.1
601.16162	51.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.5
59.01390	2.6
61.98838	7.1
62.85670	0.7
63.50672	0.7
65.00311	1.0
67.01886	1.0
71.01380	3.4
74.12764	0.7
79.01874	0.8
80.21790	0.7
83.01379	1.1
85.02972	1.2
95.01414	1.8
96.96000	2.5
97.02959	1.4
101.02436	1.0
107.01417	4.6
109.02963	1.3
109.71004	0.8
111.00896	3.0
116.19775	0.8
123.00893	8.3
124.01705	2.6
125.02459	36.6
126.02793	1.2
127.00392	1.7
136.98804	2.7
137.02487	2.7
139.00372	6.2
139.04050	1.1
140.01189	6.2
145.00912	0.7
151.00406	5.1
151.03983	1.2
152.00809	0.8
153.01961	2.2
165.01944	1.5
166.99925	1.4
167.03491	2.7
168.00652	16.7
169.01440	43.8
170.01752	3.8
173.02411	1.0
175.03973	1.7
177.01884	1.3
178.99786	0.8
179.03520	1.4
181.05142	3.8
182.05458	0.9
183.02957	1.9
185.02489	1.2
196.07364	1.9
201.01939	2.0
203.03488	2.5
211.02486	59.1
212.02811	3.5
213.01877	1.1
225.03961	2.0
226.04465	1.6
227.09267	1.7
228.09641	1.3
229.01332	3.8
231.02986	1.5
245.00955	1.3
249.03899	1.4
253.51895	1.0
257.00909	3.5
258.01685	1.3
259.06061	1.7
269.04602	5.5
271.04608	100.0
272.05005	4.0
275.01987	15.0
283.99615	1.1
287.05856	0.9
289.07190	1.5
299.99075	1.3
300.99905	31.1
313.05688	3.2
331.06714	47.0
332.06982	2.2
388.09552	1.3
537.11737	1.2
537.19830	24.4
538.20129	1.9
583.11151	1.9
600.20233	45.2
601.09668	12.4
601.20898	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	600.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02970	8.3
59.01371	1.3
61.98835	6.6
62.24915	1.0
66.03475	1.7
68.99564	2.2
71.35465	1.1
74.02477	17.3
81.04571	1.8
82.02977	2.9
86.02490	7.3
87.05630	2.5
95.02538	1.2
97.04082	2.3
99.05649	16.2
101.07208	3.7
102.05629	2.3
109.04060	3.0
111.05664	1.3
112.04051	1.7
112.98560	2.4
115.92086	1.1
121.02959	13.0
123.04465	1.2
124.55900	1.0
125.02449	1.5
125.03552	1.9
127.05152	2.7
128.03555	44.9
135.04640	2.1
135.05676	6.3
137.07196	2.2
141.06772	1.4
142.98830	1.0
143.04631	58.2
144.04985	1.3
145.06236	1.4
146.04617	5.9
153.06696	3.4
166.06364	92.2
166.09883	2.4
167.04655	2.4
167.08299	3.8
170.03459	1.5
171.04170	1.3
179.04672	13.0
181.08722	100.0
184.10941	1.1
185.05670	1.3
192.07787	1.1
194.05850	2.6
197.05693	3.4
209.08195	8.2
210.08856	13.1
229.05165	1.1
236.06660	1.0
240.05853	1.0
250.40196	0.9
254.07835	31.4
255.08081	1.1
272.08887	49.4
273.09134	1.9
293.21249	3.4
318.07373	1.1
327.19992	7.8
344.12436	1.1
347.75436	1.0
359.14984	1.8
360.15277	2.4
371.15009	1.3
372.15131	1.4
391.17563	16.3
430.65747	1.1
471.25180	7.4
582.28613	8.3
600.29651	57.1
601.29987	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	601.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.5
61.98847	1.5
68.99823	0.5
69.02872	1.7
78.95896	0.8
79.95292	0.4
79.95739	3.1
89.64616	0.2
93.03452	1.3
96.96020	100.0
108.02185	0.5
109.02947	0.8
114.89157	0.3
114.93420	0.8
116.92857	1.1
121.02966	0.4
122.03763	0.4
123.00889	0.7
123.04517	0.8
125.02460	1.1
135.04541	0.6
136.01704	0.4
136.09868	0.2
137.02467	3.1
138.03249	0.9
139.00395	0.3
139.03993	0.5
147.04536	2.7
149.02451	1.0
150.03226	2.7
151.00421	0.4
151.04028	0.4
153.01982	0.5
155.98877	0.3
159.04524	0.5
160.05254	0.4
161.02386	0.4
162.03186	0.6
163.04048	0.4
165.01970	0.7
165.05582	2.4
166.02762	1.5
166.06311	0.5
168.00641	0.4
169.01437	1.0
175.07710	0.4
177.05566	0.9
178.02721	0.5
179.03499	0.9
180.04312	0.3
181.05118	2.1
181.08650	0.4
189.05603	0.5
191.00389	0.2
193.05054	1.3
194.05977	0.3
195.06627	1.9
209.04515	0.3
209.08186	0.5
211.06114	0.4
225.07631	0.3
231.06645	0.7
241.05168	0.3
243.06662	0.8
269.04654	0.3
282.05188	0.3
297.07825	0.7
300.99997	0.3
303.01904	0.4
305.06717	0.3
327.12491	0.6
329.10599	0.3
345.09805	0.5
347.11310	0.3
359.15097	0.3
379.74039	0.3
389.03467	0.5
407.04807	0.5
419.13516	0.5
421.02405	0.3
449.05499	3.5
449.11023	0.3
450.05960	0.4
503.13477	4.8
504.13596	0.4
520.27606	0.3
541.08405	1.9
554.80573	0.3
565.22852	0.4
601.11444	0.6
601.23663	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1206
Annotation	(2S)-5,7,3',4'-Tetrahydroxyflavanone 7-(6-galloylglucoside)
Peak:m/z	Relative Intensity
53.78793	0.9
55.34372	0.9
57.03432	1.4
59.01382	2.1
61.98825	3.3
63.74738	1.0
65.00342	6.1
71.01370	2.0
71.29746	1.6
79.01887	1.2
81.03468	2.5
83.01404	3.8
88.98831	1.7
93.03483	1.5
93.15127	0.9
95.01393	1.5
96.96021	1.7
107.01407	14.9
108.02251	1.4
109.02977	2.6
111.00880	1.2
113.02464	1.3
116.92886	2.5
121.02932	1.0
122.03770	1.0
123.00906	4.1
123.04565	2.1
125.02451	32.2
125.03347	2.1
131.05087	1.2
131.22505	1.0
135.04533	34.8
137.02470	4.0
139.00385	2.4
139.70465	1.0
144.16115	0.9
145.85341	0.9
149.02512	2.8
150.03223	6.4
151.00378	51.6
151.04022	1.9
152.01036	2.0
153.05609	2.3
159.04521	14.5
161.02509	8.4
162.02876	1.1
165.01964	5.8
165.05589	6.9
166.02728	1.8
167.03493	3.4
168.00687	1.8
168.04314	1.1
169.01439	34.5
173.06139	1.4
177.01958	2.9
177.05569	1.4
179.03539	1.4
180.04279	1.2
181.05038	6.1
195.06635	4.2
196.00227	1.2
197.04623	1.8
201.01996	1.0
201.05637	5.9
203.03508	3.5
207.06653	1.4
211.02544	1.3
219.06662	4.2
225.05542	2.3
243.06622	27.2
245.04579	1.3
269.04538	1.6
287.05621	14.7
288.05954	1.3
298.98511	1.4
299.99377	1.3
313.05649	26.0
342.08322	1.2
354.64124	1.2
409.04544	1.4
449.10803	6.1
517.10016	1.4
557.13092	4.5
563.11652	1.7
565.22797	2.6
601.12091	100.0
602.12317	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	601.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	11.5
59.01366	4.4
61.98832	27.4
63.02394	2.8
65.00323	7.5
69.47644	13.5
71.01397	4.7
75.00880	6.1
77.49402	2.6
83.01390	5.5
89.30973	2.6
93.03467	64.4
95.01385	4.8
96.96004	6.0
107.01414	6.2
108.02172	4.8
109.02971	11.4
116.92868	10.7
121.02923	3.9
123.00896	9.7
123.04497	4.3
124.01637	5.3
125.01538	4.2
125.02453	77.8
135.04565	3.7
137.02455	98.3
137.03529	4.9
139.04053	6.1
145.02972	3.2
145.25928	2.4
146.72557	2.6
147.00851	3.6
149.02403	4.9
150.03227	3.4
151.00400	30.8
151.03995	3.3
152.01122	5.5
153.01927	26.9
161.02478	4.2
163.00317	2.7
163.03961	4.2
164.04825	4.9
165.01967	15.1
165.05646	2.7
167.03514	12.6
169.01408	14.6
173.02333	4.8
175.00516	4.1
177.01964	7.6
178.99872	26.0
179.07156	3.8
181.01292	2.2
185.02472	4.9
187.04065	4.6
190.02783	3.5
191.03517	12.1
193.01437	100.0
201.01938	3.8
203.03497	3.7
205.05066	5.8
209.14978	2.2
211.04004	3.4
214.02628	2.3
215.03470	4.1
217.01526	3.7
227.03693	2.9
229.01395	11.5
229.05049	3.1
231.02968	3.1
233.04549	6.4
249.04068	4.4
253.10588	2.6
255.02995	13.4
257.00912	7.8
257.04733	5.9
275.02042	51.5
275.05536	8.1
283.02478	49.1
299.99023	3.2
300.99982	84.3
301.03500	14.3
302.00327	4.9
373.25778	2.7
445.07825	5.9
447.08545	3.1
463.08868	8.5
475.08792	18.5
536.83282	2.5
573.12378	3.4
582.11810	3.3
583.10846	42.1
584.11432	4.5
601.11151	48.1
601.24243	5.8
602.11029	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	601.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78793	0.9
55.34372	0.9
57.03432	1.4
59.01382	2.1
61.98825	3.3
63.74738	1.0
65.00342	6.1
71.01370	2.0
71.29746	1.6
79.01887	1.2
81.03468	2.5
83.01404	3.8
88.98831	1.7
93.03483	1.5
93.15127	0.9
95.01393	1.5
96.96021	1.7
107.01407	14.9
108.02251	1.4
109.02977	2.6
111.00880	1.2
113.02464	1.3
116.92886	2.5
121.02932	1.0
122.03770	1.0
123.00906	4.1
123.04565	2.1
125.02451	32.2
125.03347	2.1
131.05087	1.2
131.22505	1.0
135.04533	34.8
137.02470	4.0
139.00385	2.4
139.70465	1.0
144.16115	0.9
145.85341	0.9
149.02512	2.8
150.03223	6.4
151.00378	51.6
151.04022	1.9
152.01036	2.0
153.05609	2.3
159.04521	14.5
161.02509	8.4
162.02876	1.1
165.01964	5.8
165.05589	6.9
166.02728	1.8
167.03493	3.4
168.00687	1.8
168.04314	1.1
169.01439	34.5
173.06139	1.4
177.01958	2.9
177.05569	1.4
179.03539	1.4
180.04279	1.2
181.05038	6.1
195.06635	4.2
196.00227	1.2
197.04623	1.8
201.01996	1.0
201.05637	5.9
203.03508	3.5
207.06653	1.4
211.02544	1.3
219.06662	4.2
225.05542	2.3
243.06622	27.2
245.04579	1.3
269.04538	1.6
287.05621	14.7
288.05954	1.3
298.98511	1.4
299.99377	1.3
313.05649	26.0
342.08322	1.2
354.64124	1.2
409.04544	1.4
449.10803	6.1
517.10016	1.4
557.13092	4.5
563.11652	1.7
565.22797	2.6
601.12091	100.0
602.12317	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	601.1212
Annotation	(2S)-5,7,3',4'-Tetrahydroxyflavanone 7-(6-galloylglucoside)
Peak:m/z	Relative Intensity
57.03461	5.7
59.01395	2.4
61.98839	3.6
65.00335	1.8
69.20430	5.7
70.53336	1.2
71.01415	3.0
78.47949	1.1
79.95746	1.7
80.69502	1.1
81.03495	1.7
82.87490	1.3
83.01401	3.2
88.98830	2.4
93.03474	2.3
95.01431	1.3
96.96017	55.0
107.01401	9.9
108.02238	1.3
109.02999	2.7
111.00902	2.0
113.02421	1.7
117.03525	1.8
123.00894	8.9
123.04594	1.8
124.01723	3.3
125.02452	73.3
126.02842	2.6
131.05055	1.7
135.04630	2.0
137.02492	3.8
139.00401	2.4
139.04066	1.3
140.01212	3.8
145.03044	2.0
147.04504	1.4
149.02470	3.2
151.00368	13.4
152.01195	4.8
153.01949	7.6
159.04562	2.5
161.02470	1.8
163.00462	1.6
167.03523	3.0
167.36371	1.1
168.00734	5.4
169.01440	51.3
170.01822	1.8
173.02589	1.3
173.06178	2.0
175.04062	2.8
176.01201	3.5
177.01997	2.5
177.05585	2.0
178.99863	8.0
179.03610	1.2
185.02554	1.9
191.03621	2.0
197.06126	1.5
199.04063	1.5
201.01987	1.9
201.05692	2.7
203.03606	4.3
211.02486	7.1
212.02930	1.7
213.02084	1.7
215.07236	3.0
221.90323	1.3
225.05644	1.9
229.01376	5.8
231.03040	1.8
241.05345	1.7
243.06816	3.3
249.04089	1.3
257.01083	5.3
259.06073	16.2
260.06415	1.2
268.03860	1.7
269.04568	59.1
270.05060	2.5
271.04688	10.8
272.05463	1.3
275.01978	21.8
283.06366	1.4
283.61652	1.2
283.99799	1.5
287.05658	9.0
300.99908	43.6
311.97729	1.1
313.05682	23.3
439.08829	6.1
449.10971	1.7
511.11392	3.7
538.20605	2.9
583.11017	16.2
584.11517	2.6
601.12213	100.0
602.12463	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	601.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.8
62.96404	0.4
67.19196	0.2
71.01402	0.4
71.26770	0.3
74.98227	0.3
78.95912	58.5
79.95758	0.2
87.00863	0.3
87.26987	0.2
89.02462	0.8
91.27362	0.2
96.96082	5.7
96.96971	100.0
101.02411	0.5
108.90211	0.6
110.89899	0.5
113.02472	0.5
179.05614	0.5
184.00146	0.3
192.20915	0.2
194.69077	0.2
208.33264	0.2
221.06532	0.4
244.92108	0.2
259.02200	0.3
347.11533	0.2
439.08331	0.3
503.16443	1.6
601.13953	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	601.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30214	0.3
54.86316	0.4
59.01379	0.7
59.96751	0.4
79.95744	8.0
96.96018	100.0
98.21831	1.2
107.01296	0.4
119.38084	0.4
123.00848	0.6
125.02432	1.5
137.02440	0.8
144.44058	0.4
169.01480	0.7
210.43544	0.4
281.08307	0.6
476.16916	1.1
539.21259	6.5
601.16052	51.2
602.16388	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	601.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32459	10.3
56.86331	11.4
59.01373	19.0
61.20458	12.0
61.98843	100.0
65.51868	10.1
69.58067	31.3
69.58463	24.1
73.32313	11.6
96.96029	23.0
115.92022	15.9
120.99682	13.0
123.00864	16.5
123.04557	33.3
125.02446	36.2
135.04556	16.0
150.03232	15.9
153.05592	21.4
154.02798	12.8
165.05530	15.4
166.99893	12.3
167.03528	22.0
169.01410	39.7
179.03502	16.7
179.07170	17.5
181.05032	23.3
193.05055	11.2
195.06548	18.0
207.50168	10.7
211.02603	12.3
226.13231	11.1
243.06654	12.6
298.98337	11.3
321.68674	12.4
323.02258	11.9
381.50955	13.3
403.17493	13.2
449.26730	16.4
601.28436	46.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.214
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30595	1.4
52.56025	1.0
59.01384	26.2
63.21758	1.2
69.03448	1.9
70.05650	1.7
70.05982	2.7
71.01379	8.1
85.02977	1.8
89.02475	7.1
95.01382	2.1
96.96006	5.5
98.22482	1.7
99.04532	3.5
101.02459	4.1
101.08430	1.1
106.99139	1.1
107.01393	4.0
109.02901	1.7
111.00858	2.3
112.10850	1.2
113.02451	2.1
119.03542	2.6
123.00915	4.6
124.01718	2.1
125.02457	31.1
127.00352	1.6
132.84724	1.2
136.98875	1.5
139.00336	2.0
140.01172	2.8
143.05756	1.2
151.00371	2.0
165.12842	1.6
167.03514	1.9
168.00659	17.7
169.01436	46.1
195.06670	2.8
207.13911	5.4
209.11810	11.5
211.02492	74.5
212.02750	2.3
218.08809	1.5
225.14981	4.5
241.03439	1.4
251.12955	2.7
269.13940	18.0
270.14096	1.3
271.04605	96.6
272.05069	4.4
331.06766	24.2
397.19073	1.4
428.59671	1.5
449.20331	29.0
450.21008	1.6
541.19373	3.2
583.20526	3.1
601.21454	100.0
602.21808	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	601.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.9
61.98835	0.7
71.29413	0.4
85.02997	0.4
96.96004	0.8
99.00887	0.4
99.92595	35.0
100.92607	1.1
100.93371	1.1
107.83916	0.3
114.94962	0.6
115.92091	17.4
116.92870	100.0
117.92895	4.0
125.09716	0.4
158.94019	0.8
169.96910	0.4
185.96283	0.7
186.97026	0.5
187.09824	0.5
279.76752	0.4
309.37045	0.3
439.32178	0.6
455.19058	0.6
456.19394	0.4
469.33517	1.0
478.65366	0.4
501.32178	3.4
503.33002	0.6
529.29187	0.7
539.24652	1.1
542.23602	0.8
583.23474	1.7
601.24762	61.9
602.25122	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	601.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.1
58.00596	2.3
59.01388	35.9
61.98822	6.5
71.01391	6.8
71.28622	2.2
73.02950	3.8
83.61786	1.4
85.02961	5.4
87.00900	3.2
87.04559	1.8
89.02460	3.6
90.46413	1.5
98.53183	1.5
99.00917	1.8
101.02460	4.3
102.43963	1.5
108.02193	2.9
109.06514	1.6
113.02471	3.5
116.82378	1.4
117.03494	4.6
119.03533	1.6
119.05025	1.9
122.03721	1.9
123.04563	4.6
125.02467	2.7
133.02972	2.6
135.04535	2.3
137.02486	2.5
137.09756	1.7
139.11301	36.7
143.90422	1.4
145.02972	30.3
146.03728	6.3
147.04555	7.1
149.02461	3.3
150.03252	1.9
161.02455	24.6
162.03239	33.0
163.04053	11.5
164.04840	1.8
165.05576	2.5
165.09152	2.7
169.01422	2.3
169.12387	3.8
177.05559	8.2
179.10941	1.7
180.04280	8.7
181.12387	15.6
182.87971	1.6
183.10271	43.8
184.10600	2.0
195.06677	12.4
195.14047	1.8
197.11879	2.6
199.13376	3.4
219.06601	3.6
223.13480	1.5
225.11356	31.6
243.12370	25.5
249.37677	1.6
285.13455	13.8
339.10730	9.9
345.15649	2.9
357.12296	2.2
405.17584	2.8
483.68915	1.7
523.21881	3.3
559.79932	1.9
565.22687	7.6
566.23193	2.2
583.24072	44.7
584.24420	7.0
601.25110	100.0
602.25604	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	601.266
Annotation	Unknow
Peak:m/z	Relative Intensity
59.07502	1.6
69.67818	7.0
70.79893	1.8
72.73474	1.8
79.01905	4.8
85.06584	6.2
87.04521	6.8
95.05016	2.6
98.22532	1.8
101.06077	4.5
111.04527	35.8
111.19033	1.9
112.04864	2.3
113.09734	4.9
119.79726	1.6
121.02995	2.4
121.27499	2.2
123.04504	2.2
123.08164	5.5
124.47993	2.1
125.02467	2.6
125.06109	4.5
135.04520	2.7
136.71959	1.8
138.03192	2.2
139.04041	4.6
140.73442	1.7
147.08147	10.5
151.04080	1.9
163.07686	2.4
165.09201	8.8
166.02777	3.9
167.07133	3.1
173.06128	3.1
175.04074	2.0
175.07787	1.8
177.05576	2.0
179.07208	6.4
181.05000	4.5
181.08725	21.1
183.06654	3.1
191.07085	10.6
193.01566	1.9
195.06636	6.7
203.07079	2.1
207.06653	6.4
208.07401	3.3
209.08237	26.0
210.08585	2.8
219.06621	21.3
220.03728	8.8
220.07181	2.2
221.08260	5.5
222.09073	1.9
223.06207	1.7
223.76479	2.0
225.07672	4.9
235.06120	100.0
236.06635	7.2
237.07799	8.7
245.80252	1.9
247.06100	18.4
247.09799	2.6
248.06938	15.4
248.09389	2.2
249.07597	4.2
253.07175	53.5
254.07301	2.1
261.07776	2.1
261.11191	3.6
263.05649	2.6
265.07156	7.3
287.13019	2.2
291.05267	3.1
302.08026	2.0
309.20663	3.1
313.03549	2.0
331.11932	3.3
337.16452	2.4
343.08133	8.6
351.14557	2.7
358.10205	2.1
359.11371	2.7
365.15909	23.6
365.19708	3.6
391.17587	24.7
392.17712	3.6
399.10818	4.4
419.20950	9.5
461.21790	3.1
471.20001	2.2
512.20398	3.9
513.20966	3.8
539.26532	5.9
555.26013	6.9
557.27338	2.2
583.25507	70.4
584.25909	9.7
601.25787	3.8
601.34344	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	601.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63977	1.7
71.28004	2.7
79.01906	3.6
80.77966	2.2
85.06603	4.5
87.04524	5.8
95.05072	3.0
99.08177	1.9
109.06583	2.2
111.04535	30.9
121.06602	2.3
123.08168	6.5
135.04572	2.2
139.04012	4.3
147.08130	7.4
149.06035	1.9
149.94478	1.7
165.05643	2.6
165.09200	6.8
166.02827	2.6
167.03334	1.7
173.06070	2.0
175.03915	2.0
179.07138	3.9
181.05121	3.0
181.08685	9.2
183.06673	3.2
188.04958	1.7
191.07159	9.4
193.01534	2.1
193.05028	1.9
195.06618	7.7
207.06648	2.8
208.07420	5.2
209.08189	26.1
219.06581	18.6
220.03683	10.1
221.08240	6.0
223.06139	3.5
225.07663	7.3
231.03084	2.0
233.08220	3.6
235.06123	100.0
236.06618	6.6
237.07710	11.4
239.09309	2.2
247.06078	16.9
248.06856	12.9
249.07597	4.2
253.07178	62.3
254.07523	3.2
261.07700	2.8
265.07147	5.1
277.07275	2.2
291.05139	3.8
292.06042	2.5
299.09369	2.7
309.20743	4.3
331.11978	3.1
337.16565	2.4
343.08026	4.5
359.11426	5.2
365.16055	2.9
391.17670	32.9
392.17810	3.6
445.22168	2.7
461.21396	2.3
469.22046	2.5
471.20319	2.3
471.95508	1.9
513.21002	5.3
513.28186	2.7
539.26361	6.1
557.28186	2.3
583.25476	75.5
584.25745	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	601.266
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37627	0.4
56.76277	0.5
57.03446	0.5
61.98822	2.1
66.21385	0.6
69.19675	2.8
75.09306	0.4
84.09919	0.4
93.03450	0.9
95.01373	0.8
95.48463	0.5
96.96014	3.7
97.02948	0.8
99.92582	0.6
100.52135	0.5
100.77665	0.5
107.21964	0.5
109.02964	1.5
111.45995	0.4
115.92118	1.1
116.92879	1.0
118.96380	0.5
119.06905	0.5
121.02934	0.8
123.04531	1.9
125.02455	0.9
135.04604	0.7
137.02473	2.5
139.04021	0.9
142.04346	0.5
149.02522	1.0
151.04028	2.7
153.05559	2.2
161.02382	0.9
161.06128	0.9
165.01944	1.5
165.05547	0.6
171.10223	0.8
179.03497	1.5
181.05083	57.7
182.05736	4.4
185.01131	0.5
194.05841	1.4
195.06468	0.5
196.07417	57.1
197.08174	6.3
205.04994	1.1
209.08243	4.6
211.09772	100.0
212.10101	4.2
247.06264	1.4
310.11063	0.5
421.18707	10.4
422.19330	1.1
436.15210	0.6
439.10571	0.6
583.29095	2.4
601.14874	0.8
601.30682	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	601.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13221	0.3
58.02986	0.4
61.98832	1.1
69.80943	1.2
71.73686	0.3
74.02486	1.1
82.95405	0.3
93.03431	0.4
99.05647	0.8
109.02975	0.4
112.78175	0.2
114.93430	0.7
116.32955	0.3
116.92878	0.4
121.02963	12.6
123.00932	0.4
125.90010	0.3
128.03539	1.9
134.67535	0.3
135.04547	1.1
135.05573	0.4
137.02563	0.4
143.04633	3.0
143.27213	0.3
144.04938	0.4
146.04605	0.4
151.04027	0.5
155.46605	0.3
161.02528	0.4
166.06366	85.2
167.06802	3.6
169.01509	0.6
169.49016	0.3
176.04811	0.4
179.03345	1.7
179.04837	0.4
181.08720	100.0
182.09058	3.7
194.05896	1.2
209.08200	7.8
210.08842	0.8
211.09280	0.3
254.07867	1.4
255.08121	0.8
272.08865	2.3
273.09143	1.3
328.95792	0.3
391.17664	17.7
392.17972	1.2
433.29913	0.3
449.27423	0.4
456.88452	0.3
472.26297	0.4
583.29260	0.6
598.07367	0.4
601.30035	4.1
602.29913	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.7
57.03445	7.4
58.03477	2.7
59.01370	8.1
61.98814	6.5
71.01368	7.2
72.99297	2.5
73.02924	2.6
78.86791	2.9
83.05038	8.7
85.02969	14.0
85.06586	25.3
87.00873	7.7
87.04509	11.8
88.98858	2.8
89.02450	5.1
95.05016	7.6
97.06587	7.3
99.00871	5.4
99.08186	5.9
99.92592	7.4
101.02416	4.3
109.02954	4.7
109.06580	5.3
111.04520	27.8
111.08170	46.8
113.02415	12.6
113.06093	3.3
115.07626	3.2
115.92084	12.9
116.92850	7.6
123.04494	3.6
123.08160	2.7
125.02454	3.5
125.06075	3.8
125.09663	3.5
127.07642	2.5
129.01927	9.7
129.09203	4.5
135.04495	2.7
137.02422	3.8
138.03285	2.6
139.03972	5.9
141.09175	7.3
145.02945	4.8
147.08142	4.7
149.02441	5.9
149.84636	3.4
151.07635	2.6
155.07115	5.0
159.04474	3.1
163.04016	3.0
163.07590	3.5
165.05533	4.1
165.09201	9.9
171.10332	4.8
173.08194	20.0
175.04108	3.0
175.07666	4.9
177.01907	6.6
179.07060	6.4
181.08728	31.3
182.08958	5.1
183.06653	27.9
187.09738	2.6
191.07133	6.9
193.01384	3.3
195.06647	19.7
197.08214	3.9
197.15419	2.7
203.07158	3.6
204.04198	5.9
205.08669	2.9
205.12230	3.0
207.06622	10.8
207.17618	4.9
209.08214	32.6
210.08522	3.2
211.13536	3.0
219.06628	61.6
220.03909	3.0
220.07204	4.0
221.08217	15.3
223.06131	5.6
223.09691	2.6
225.07710	34.3
233.04620	4.1
233.08141	4.0
235.06087	25.7
236.06886	4.4
237.07660	14.1
239.09183	6.6
246.05307	3.6
247.06099	100.0
248.06848	47.2
249.07600	15.7
251.16548	6.0
261.07690	9.8
263.05576	3.4
265.07120	7.3
269.17572	7.8
275.09177	6.6
277.21707	10.5
287.18631	5.5
289.07147	3.0
291.20187	2.6
292.05768	4.5
303.12070	2.9
313.23904	6.7
317.10373	2.8
318.11081	3.5
319.11636	2.9
321.17273	3.2
331.24863	23.3
341.10983	4.9
343.15350	3.1
353.19739	8.9
361.20300	3.5
362.20413	4.6
365.12381	5.3
365.19739	6.5
375.18121	3.2
377.19675	4.5
391.17606	4.2
419.16534	3.1
426.97812	3.3
487.32748	8.1
513.21332	46.8
514.21143	4.6
539.26392	13.5
555.25763	6.0
583.25482	79.4
584.25409	7.2
601.27313	23.7
601.39929	72.3
602.27271	3.4
602.39752	4.7
625.54218	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	601.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86000	2.5
61.98813	9.3
71.01408	2.4
96.96922	2.1
99.92593	58.9
100.93358	3.4
102.39096	2.6
115.92081	71.3
116.92207	4.2
116.92872	100.0
117.92886	4.4
120.76181	2.2
125.09703	5.8
125.42995	2.4
127.31011	2.1
127.67076	2.1
171.10287	3.4
255.03432	3.5
269.91336	2.7
270.01978	2.5
287.02457	2.9
411.14792	4.8
425.12866	3.2
539.29358	6.1
565.24835	3.5
579.22772	28.5
580.22906	3.9
601.26617	67.8
601.35168	4.4
602.27527	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	601.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10958	0.8
57.03437	3.5
59.00275	0.9
59.01367	2.6
61.98836	2.0
69.03445	1.3
69.54800	3.4
71.10967	0.8
71.90560	0.8
72.99294	0.9
78.95928	1.1
82.16523	0.8
83.05029	1.0
92.92795	1.3
95.05023	1.2
96.96003	1.5
97.06599	10.6
99.92605	4.0
103.00452	1.2
115.92062	4.8
116.92887	4.3
123.08163	7.6
125.09734	100.0
126.10081	2.4
143.10780	1.0
169.08719	3.0
187.09770	72.5
188.10114	2.7
204.49762	0.9
219.02617	0.9
225.11348	1.3
241.20963	0.8
243.12378	2.6
261.13440	10.3
349.08493	1.0
399.20932	1.0
431.16992	1.4
431.22906	28.7
432.23169	1.8
469.33105	2.2
485.32794	1.5
583.31891	1.9
601.24951	3.8
601.32349	79.5
602.32483	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	601.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.0
57.03456	1.7
59.01382	91.2
60.01703	1.4
61.98838	3.9
65.17925	1.2
70.45459	2.6
71.01381	12.5
73.02959	2.9
79.43754	0.9
83.01412	2.2
85.02968	2.9
89.02449	6.6
99.04523	2.7
101.02451	5.6
113.02410	5.2
119.03522	1.3
125.02464	2.7
133.01494	1.3
143.55894	1.0
143.66191	1.4
150.78107	1.3
156.62698	1.0
167.03485	1.9
171.10216	1.6
177.74406	1.1
179.05646	1.3
207.13934	1.9
209.11845	6.4
225.14932	5.7
227.12898	35.0
269.13992	2.9
287.14984	1.6
352.08224	1.2
565.31366	1.1
569.24146	1.6
583.31207	11.4
584.31439	1.6
587.50305	1.2
601.32410	100.0
602.32788	10.6
607.69751	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.0
57.03456	1.7
59.01382	91.2
60.01703	1.4
61.98838	3.9
65.17925	1.2
70.45459	2.6
71.01381	12.5
73.02959	2.9
79.43754	0.9
83.01412	2.2
85.02968	2.9
89.02449	6.6
99.04523	2.7
101.02451	5.6
113.02410	5.2
119.03522	1.3
125.02464	2.7
133.01494	1.3
143.55894	1.0
143.66191	1.4
150.78107	1.3
156.62698	1.0
167.03485	1.9
171.10216	1.6
177.74406	1.1
179.05646	1.3
207.13934	1.9
209.11845	6.4
225.14932	5.7
227.12898	35.0
269.13992	2.9
287.14984	1.6
352.08224	1.2
565.31366	1.1
569.24146	1.6
583.31207	11.4
584.31439	1.6
587.50305	1.2
601.32410	100.0
602.32788	10.6
607.69751	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
71.30222	0.4
76.46928	0.3
93.03453	0.6
102.52689	0.3
105.03490	0.5
113.74723	0.3
117.03429	0.4
121.03004	1.9
132.02151	0.6
133.02980	13.3
134.03761	8.2
135.04544	3.7
137.02454	6.6
137.03516	0.4
137.75031	0.3
139.04005	2.0
149.02412	0.7
150.03242	0.7
161.02454	29.9
162.02721	0.8
162.71365	0.4
178.02708	4.3
179.03534	2.2
188.32224	0.3
287.12903	0.8
301.14478	5.9
315.16003	0.6
353.17847	0.4
369.20789	1.7
379.26175	0.4
383.22382	2.2
397.23602	0.4
401.87036	0.3
409.23453	0.4
437.26947	0.8
446.98166	0.3
543.31683	2.4
557.32867	0.7
558.33496	0.6
576.42377	0.4
601.35352	100.0
602.35657	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3537
Annotation	Garcinol
Peak:m/z	Relative Intensity
58.49688	0.4
61.98815	1.0
71.29966	0.5
113.86404	0.3
117.03448	0.5
119.05009	0.4
121.02940	0.5
127.36884	0.3
130.53848	0.4
132.02176	1.0
133.02966	19.5
134.03778	3.1
135.04561	4.4
137.02464	2.5
139.03990	1.5
145.02963	1.1
161.02451	45.8
162.02794	1.5
178.02731	1.1
179.03465	1.9
353.17831	0.6
402.27087	0.4
601.35327	100.0
602.35693	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	601.3538
Annotation	Garcinol
Peak:m/z	Relative Intensity
61.98820	0.7
69.00493	5.1
69.19968	0.7
99.92574	0.8
111.23610	0.5
116.92920	1.3
133.02965	13.6
134.03799	3.1
135.04558	5.1
137.02440	2.1
139.04024	0.7
145.02975	0.7
149.02411	0.9
150.03206	0.6
161.02461	39.0
161.90350	0.5
162.02870	0.6
165.19595	0.5
178.02676	0.9
179.03517	2.6
301.14517	0.8
569.32880	0.8
601.35358	100.0
602.35754	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	601.3905
Annotation	Lup-20(29)en-28-al-3beta-yl caffeate
Peak:m/z	Relative Intensity
51.92424	0.3
65.23315	0.5
69.23731	0.6
69.24129	1.6
73.73548	0.3
95.14964	0.3
112.14954	0.3
116.92913	0.5
117.03472	31.3
118.03737	0.4
119.05037	11.1
121.02966	6.9
123.04512	2.4
133.02957	3.3
134.03760	1.1
135.04550	0.4
144.69485	0.3
145.02963	68.4
146.03316	1.7
148.50337	0.3
161.02452	3.1
162.03242	2.6
163.04019	3.8
171.18961	0.3
339.79422	0.3
344.72372	0.3
437.34412	1.3
455.35370	0.5
555.38763	0.5
557.22064	0.4
557.40021	37.5
558.40356	5.5
601.39063	100.0
602.39435	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	601.3903
Annotation	Lup-20(29)en-28-al-3beta-yl caffeate
Peak:m/z	Relative Intensity
70.75245	0.4
105.14883	0.3
117.79524	0.3
121.02987	0.4
131.11781	0.4
132.02190	0.4
133.02971	12.0
134.03792	3.5
135.04539	2.7
137.02469	1.9
139.04019	0.7
140.53996	0.4
150.03419	0.3
161.02461	33.0
162.02779	0.8
178.02814	0.7
179.03497	1.5
182.81085	0.4
383.47867	0.4
521.88739	0.3
571.34155	0.6
576.62469	0.4
601.39026	100.0
602.39380	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	601.3902
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30901	0.4
59.17961	0.5
66.50530	0.4
71.08022	0.9
117.03481	9.3
119.05001	0.7
121.02974	0.8
141.65529	0.5
145.02971	21.6
146.03261	0.8
169.93745	0.5
202.70309	0.4
238.12341	0.5
238.88438	0.4
437.34344	1.6
557.40063	4.2
601.39026	100.0
602.39380	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	601.3906
Annotation	Lup-20(29)en-28-al-3beta-yl caffeate
Peak:m/z	Relative Intensity
57.19211	0.2
62.57893	0.2
66.48670	0.2
70.96902	0.3
75.35778	0.2
91.63210	0.2
97.93051	0.3
103.68674	0.2
117.03475	14.0
118.03792	0.3
119.05045	2.8
120.05365	0.2
121.02976	1.4
123.04518	0.5
133.02974	0.4
145.02965	36.5
145.96899	0.2
146.03319	1.1
146.62869	0.2
161.02463	0.3
162.03325	0.4
163.04037	0.9
186.87753	0.2
437.34204	2.2
555.38434	1.1
557.40228	0.3
571.34595	0.4
601.39020	100.0
602.39392	14.2
620.48077	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3902
Annotation	Lup-20(29)en-28-al-3beta-yl caffeate
Peak:m/z	Relative Intensity
75.28284	0.1
83.37395	0.1
90.13295	0.1
93.03484	0.2
98.21809	0.2
99.32021	0.1
103.79475	0.1
105.03479	0.2
106.04205	0.2
121.02951	0.4
132.02188	0.6
133.02965	15.2
134.03775	3.3
135.04539	4.2
137.02443	2.1
139.04012	0.8
150.03249	0.3
160.01735	0.1
161.02452	36.6
162.02798	1.0
163.03986	0.1
178.02742	0.7
179.03516	1.4
241.11998	0.1
438.11642	0.1
525.82013	0.1
601.38989	100.0
602.39349	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	601.3904
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00850	0.3
59.15902	0.2
63.79762	0.3
68.01295	0.3
86.71535	0.3
98.21828	0.7
121.02966	0.4
132.02197	0.3
133.02969	13.3
134.03802	3.9
135.04541	3.8
135.12517	0.3
137.02440	2.5
139.04012	0.7
152.23131	0.3
161.02461	32.9
162.02812	1.1
178.02753	0.7
179.03560	1.4
235.41832	0.3
269.88336	0.3
416.75540	0.3
469.94699	0.3
571.33856	0.6
573.39752	1.9
574.40234	0.4
601.39026	100.0
602.39441	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	601.3903
Annotation	Lup-20(29)en-28-al-3beta-yl caffeate
Peak:m/z	Relative Intensity
51.53687	0.8
54.69067	0.9
61.44043	0.8
62.60141	0.7
65.00373	0.7
68.63548	0.7
69.66418	2.6
69.66834	1.9
94.51302	0.8
106.89388	0.8
121.02947	1.0
133.02959	12.0
134.03769	2.9
135.04527	3.7
137.02452	1.9
161.02461	32.9
179.03470	1.4
202.61562	0.8
215.51019	0.9
310.20856	0.8
601.39032	100.0
602.39429	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63576	0.7
57.03453	5.8
59.01371	2.4
61.98841	2.2
64.41817	0.8
69.03445	1.9
69.34969	5.4
71.01387	0.9
71.05039	1.7
81.03447	3.4
81.77200	0.8
82.95422	0.9
83.05034	7.5
85.02956	4.0
85.06581	2.3
87.04517	1.4
95.01415	0.9
95.05054	3.8
97.06593	17.9
98.08144	0.9
99.04597	0.8
99.92599	2.0
101.02448	1.0
101.06089	1.1
109.03004	1.0
111.00886	1.2
111.04556	4.8
111.08170	1.2
113.02449	2.3
115.92100	2.6
116.92844	1.7
117.05624	1.3
123.04575	1.0
123.08173	9.4
125.02422	0.9
125.09737	100.0
126.10052	3.2
127.11269	2.6
129.01947	8.3
136.71692	0.9
139.04002	1.0
141.09227	0.8
141.83739	0.8
143.10800	3.2
145.05067	1.0
155.10750	1.6
157.12299	2.2
159.10338	1.3
165.09177	1.5
169.08691	2.5
171.10291	2.2
177.05461	1.2
179.07126	2.2
181.05072	1.2
181.08716	7.6
183.06628	5.9
187.09773	47.9
188.10124	2.1
195.06595	5.4
197.08174	1.6
207.06621	2.5
207.10342	0.9
209.08188	7.6
219.06677	1.2
221.08147	1.4
223.06241	1.3
225.07695	9.8
239.09242	2.8
247.06145	1.8
248.06781	1.0
249.07726	0.9
261.07590	1.4
295.22922	2.2
313.23865	13.3
314.24130	0.9
329.23489	1.9
331.24939	34.5
332.25165	2.3
337.16339	1.0
362.20419	1.2
365.19757	1.9
373.59964	0.9
375.18069	1.7
391.17761	3.1
427.14026	1.1
445.15189	1.0
483.33167	6.2
501.34369	88.3
502.34680	7.6
583.25519	2.9
601.25946	3.3
601.29059	5.2
601.39581	81.6
602.40033	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	602.152
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
63.02404	2.6
63.76820	1.3
65.00328	5.1
69.81007	3.9
75.80414	1.4
83.01395	3.3
93.03456	6.7
96.96020	1.5
107.01397	10.2
116.92883	4.5
121.02989	5.9
121.53647	1.5
125.02467	7.2
132.17172	1.4
137.02455	8.2
149.02455	2.1
150.03287	3.6
151.00380	22.7
153.67735	1.6
163.04012	2.2
165.05585	3.0
169.01422	8.1
178.99832	10.6
179.03633	1.3
195.06508	2.7
209.08171	1.6
243.06654	3.4
245.04582	1.5
301.03558	49.7
554.21100	1.9
559.27148	1.6
603.12500	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.9
61.98838	7.6
69.21210	5.8
71.01382	2.5
73.02923	0.9
79.95748	3.4
83.01402	1.4
85.02979	1.2
93.03481	1.3
95.01410	1.8
96.96021	41.2
97.95918	0.9
98.95592	2.5
101.02484	1.9
106.32091	0.8
107.01404	2.9
109.03008	1.4
111.00836	1.5
120.37531	0.8
123.00903	12.1
125.02460	18.3
125.73622	0.9
126.02797	1.3
127.00414	1.0
136.98853	1.9
137.02457	2.5
139.00397	3.7
140.01172	2.5
141.01971	1.8
151.00372	8.6
153.01947	1.3
165.02014	2.1
167.03578	1.1
168.00636	4.4
169.01433	23.9
179.03537	1.1
183.87981	0.8
202.52017	1.0
211.02623	1.4
243.06796	1.0
250.40739	0.9
300.99716	1.2
313.05646	2.8
472.38855	1.0
539.21387	100.0
540.21643	12.0
602.16364	25.2
603.15436	4.6
620.05890	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02721	0.3
59.01387	0.6
61.98833	100.0
70.62075	0.8
71.01391	0.7
83.01400	0.5
96.96986	0.4
99.00883	0.6
99.92628	1.1
101.16209	0.3
109.02975	0.7
111.06866	0.3
113.98983	0.3
115.92126	1.1
116.92907	0.7
123.04507	0.4
125.02518	0.5
125.09713	0.5
137.02487	0.8
157.39926	0.3
170.13286	0.4
171.10291	2.0
172.10699	0.8
181.08791	1.0
183.06720	0.4
197.08202	0.4
211.13431	2.1
212.13843	0.9
221.08376	0.4
239.09334	1.2
273.06781	0.3
278.37238	0.3
289.07129	1.9
357.13641	1.5
486.32947	0.5
504.34155	0.4
539.23096	0.9
602.25305	1.0
603.26886	0.6
603.35864	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.0607
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.2
61.98815	0.6
71.28957	0.3
74.46593	0.2
96.96021	0.4
99.92594	9.3
100.92631	0.2
108.02186	0.4
109.02960	1.6
114.93428	0.3
116.92872	100.0
117.01991	0.3
117.25731	0.2
117.92883	3.2
123.00876	0.3
123.04547	0.4
125.02485	1.6
137.02446	0.6
150.03278	0.3
151.00363	0.3
152.01172	0.2
153.01950	2.0
161.02513	0.3
165.01947	0.4
166.02812	0.4
169.01451	2.0
169.73126	0.2
177.01981	0.9
179.03535	0.2
181.05109	0.5
189.01971	0.8
191.03476	0.2
193.01558	0.2
193.05087	0.2
195.06680	0.2
217.01448	0.3
241.05066	0.3
243.06664	0.8
254.70711	0.2
300.99847	0.3
301.15732	0.2
323.05630	0.6
341.06741	1.1
371.94019	0.2
433.10129	0.2
451.09552	1.3
485.12747	0.5
549.02875	0.3
552.13190	0.2
582.72687	0.2
603.10394	0.9
603.25598	0.2
604.12671	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.0604
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31160	0.2
60.13314	0.2
60.13644	0.2
61.98832	0.3
66.80352	0.2
73.02933	0.3
98.21817	0.6
99.00885	0.5
99.92590	10.8
100.92602	0.7
114.93485	0.5
116.92873	100.0
117.01955	0.7
117.92879	3.8
123.04541	0.2
125.02398	0.5
137.02547	0.2
151.00397	0.4
169.01472	0.3
176.40996	0.2
243.06514	0.5
292.98734	0.2
379.04196	0.2
407.32114	0.2
418.19531	0.2
603.09308	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73764	0.7
57.79577	0.6
59.01371	1.6
61.98828	3.6
67.11861	0.6
69.03478	1.6
71.01373	1.5
77.95210	0.6
78.95902	2.6
79.73442	0.6
81.03452	0.7
84.42136	0.6
85.02979	0.8
88.98850	1.0
93.03463	22.0
94.03802	0.8
95.01433	1.5
96.96019	6.8
96.96964	2.6
97.02961	1.7
99.92609	2.3
101.02475	0.9
101.59862	0.7
104.08654	0.6
107.01383	4.4
108.02207	0.9
109.02988	1.5
111.00899	0.7
113.02489	0.8
116.92875	17.9
117.92885	1.1
121.02981	1.3
122.03738	1.5
123.00882	2.8
124.01659	0.8
125.02455	68.3
126.02816	1.0
135.04440	0.8
136.98894	0.9
137.02451	38.4
138.02811	0.6
139.00404	1.6
140.01218	1.1
149.02417	1.7
150.03221	0.9
151.00404	3.8
151.03986	1.1
161.02492	0.9
165.02000	1.0
165.05548	1.5
166.02701	3.1
166.06384	1.0
166.99849	0.8
167.03545	0.8
167.07146	9.8
168.00662	2.1
169.01436	100.0
170.01772	2.7
177.01991	0.7
179.03493	2.6
181.05072	3.9
188.51500	0.6
193.01439	3.0
210.05536	0.8
211.02551	3.6
241.05283	0.7
243.06573	1.2
273.45288	0.7
289.03763	0.7
295.04529	2.0
300.99908	1.0
313.05701	4.6
323.05426	0.6
341.06461	0.7
391.06705	1.5
405.04630	0.9
433.07532	1.3
451.08975	5.3
465.06665	5.5
483.07410	1.6
602.62585	0.8
603.09943	33.8
603.24988	1.3
604.10211	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	603.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.6
61.98837	0.8
69.03468	0.9
71.01379	1.0
76.62986	0.6
79.01887	0.7
81.03495	0.6
85.02939	0.9
93.03465	39.3
94.03789	1.0
95.01392	1.2
96.96025	1.2
97.02949	1.0
101.02472	0.8
107.01389	3.9
109.02974	1.5
113.02465	0.6
116.92840	0.9
121.02984	0.8
123.00900	3.4
123.04528	0.6
124.01674	0.9
125.02457	65.2
126.02785	2.0
135.04411	0.6
137.02455	78.5
138.02814	2.2
139.00371	1.6
139.89044	0.5
140.01158	1.0
151.00378	3.2
151.04025	1.0
151.77100	0.5
153.01917	0.7
161.02370	0.6
163.03940	0.5
165.01997	1.1
166.02730	0.8
167.07161	1.6
168.00641	1.9
169.01439	100.0
170.01782	2.7
177.01955	0.7
179.03481	1.6
181.05025	0.7
183.02954	0.6
185.94093	0.5
193.01421	1.9
209.04532	0.6
211.02533	3.3
243.06696	0.6
253.03383	0.6
260.10397	0.5
289.07309	0.8
295.04657	1.1
313.05615	8.2
331.06796	0.7
348.36472	0.5
391.06729	1.5
433.07773	9.4
451.08856	17.2
451.14960	1.0
452.08984	0.9
465.06702	3.7
483.07669	3.4
603.09930	46.5
604.10449	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	603.193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.4
61.98568	3.8
61.98834	55.2
70.59930	4.1
70.60256	6.4
96.95991	4.2
99.86402	2.7
101.02468	3.4
108.02167	4.0
109.02983	7.3
113.90029	3.0
123.00930	3.6
123.04515	5.8
125.02465	23.2
137.02490	6.7
151.04025	8.2
165.01897	4.4
165.05515	3.8
169.01437	27.1
176.33495	3.5
217.05074	3.9
218.05788	10.6
233.08243	36.4
245.08173	9.0
261.07675	73.3
262.08072	4.7
273.07660	8.5
275.01978	3.1
289.07162	11.6
291.08780	18.3
331.06760	7.5
381.11935	100.0
381.16803	5.2
382.12219	7.1
441.07990	4.8
483.02390	3.2
496.17691	3.8
596.67078	3.2
603.22534	6.7
604.10162	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	603.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03780	1.3
62.98132	1.3
68.99694	12.2
84.02841	1.2
125.02396	2.2
137.02425	1.7
149.02434	1.8
149.24530	1.2
159.96925	1.4
169.01378	2.5
217.05127	3.4
218.05879	13.3
233.08185	52.6
234.08597	1.7
243.06604	2.2
261.07681	89.4
262.07977	5.6
273.07599	2.6
291.08688	2.1
299.36118	1.4
321.55606	1.4
381.11920	100.0
382.12195	7.6
621.23462	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37467	5.7
52.38685	4.9
55.27436	5.5
58.95922	5.5
59.01370	6.5
59.84523	5.3
61.98831	21.5
64.64934	5.4
65.00332	5.3
69.47581	5.4
71.29782	6.7
78.74072	6.1
83.01382	8.0
87.41267	5.4
92.05029	5.3
93.03461	11.7
96.96018	8.2
99.92603	8.9
103.10254	4.9
104.81219	5.6
107.01383	7.9
109.02959	24.4
116.92860	67.2
121.02979	6.7
123.00922	10.2
123.04544	15.8
124.01619	6.4
125.02481	80.3
126.02724	6.8
137.02477	36.9
145.52312	5.6
149.02438	6.3
151.00377	21.5
151.04002	32.0
165.05655	6.6
169.01434	100.0
170.15823	7.1
177.01917	9.2
181.05060	14.9
196.07364	7.2
211.09804	7.5
243.06596	12.0
261.04150	10.7
289.07327	7.2
301.03595	27.2
301.06525	6.3
341.96594	6.0
388.07275	5.9
423.28073	6.0
433.07620	7.0
451.08530	9.8
451.14056	18.6
473.08398	5.3
540.74432	6.4
555.21393	7.2
603.12787	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	603.245
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	1.3
67.01912	1.1
69.25469	4.0
73.17330	0.5
75.49560	0.6
80.91708	0.7
82.24352	0.7
82.95437	1.9
83.01452	0.7
84.14447	0.5
93.03456	5.3
96.96018	3.4
96.96956	1.2
97.08441	0.6
98.22589	1.0
104.67088	0.6
105.32880	0.6
107.01411	0.8
108.02225	0.7
109.02972	2.7
116.92888	1.9
119.05063	0.7
121.02983	5.9
122.03760	14.8
123.00922	1.4
123.04551	1.6
123.79178	0.6
124.01727	0.8
125.02456	7.1
133.02962	1.1
135.04532	2.0
136.01668	1.3
137.02469	8.9
138.03224	1.1
139.00351	1.5
139.04001	1.2
147.04558	0.7
149.02448	18.8
150.03238	89.7
151.00371	1.4
151.03822	2.4
153.05524	0.7
161.02383	1.6
164.04828	4.3
165.01944	21.7
165.05577	92.7
166.02534	1.3
166.06343	12.1
167.03511	1.2
167.07184	0.9
168.00623	0.7
169.01459	5.9
176.92604	0.6
177.01965	0.9
179.03513	5.3
180.04297	22.0
181.04996	2.5
181.08725	7.3
194.05811	1.9
195.06636	100.0
196.07022	5.1
197.04460	0.8
197.28456	0.6
210.05383	3.3
211.02342	0.9
211.09770	2.2
225.07689	27.2
230.99684	0.7
239.05711	1.1
240.04298	0.7
243.06671	1.1
246.38881	0.6
300.99402	0.7
329.10339	2.7
343.11908	2.3
344.12601	2.5
359.15042	7.7
373.12970	3.6
407.17267	1.1
408.77481	0.6
421.14978	0.9
434.14453	0.7
463.08676	1.1
465.06766	1.2
521.19971	1.8
524.62122	0.6
540.21851	0.9
555.22644	3.1
603.14398	5.6
604.13562	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10846	1.0
64.73068	1.1
69.73055	2.7
72.10020	1.1
88.98803	1.5
93.03450	5.1
95.05043	1.0
96.96027	1.5
98.22501	1.5
103.42706	0.9
109.02952	1.9
116.92922	1.0
121.02969	18.4
122.03758	13.0
123.00858	1.6
123.04502	1.2
124.01639	1.0
125.02423	4.8
128.17413	1.0
133.02934	1.2
134.03732	1.0
135.04501	1.7
136.01631	1.7
137.02422	4.7
149.02452	35.2
150.03233	84.3
151.03622	3.6
153.91550	1.0
161.05937	1.0
163.04042	1.4
164.04793	9.3
165.01942	27.5
165.05582	90.3
166.02539	1.4
166.06366	52.9
167.03455	1.8
167.07114	2.2
169.01434	3.8
179.03500	7.3
179.07112	1.5
180.04306	22.8
181.05167	2.3
181.08717	27.7
194.05847	1.9
195.06631	100.0
196.06960	3.2
205.05017	2.6
210.05313	3.9
225.07693	36.0
278.97104	1.2
297.07941	1.4
299.09293	1.3
329.10361	4.6
343.11929	3.1
344.12433	2.8
359.11102	1.5
359.15018	11.1
373.12946	43.4
374.13474	2.8
407.17123	3.0
421.15149	6.6
448.71518	1.1
475.81577	1.4
555.22296	21.4
603.16223	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	603.3701
Annotation	3beta-p-Hydroxybenzoyldehydrotumulosic acid
Peak:m/z	Relative Intensity
52.23986	0.5
94.43913	0.4
105.03506	0.4
111.33496	0.4
117.03490	1.0
121.02905	0.5
127.90926	0.5
132.02115	0.6
133.01945	0.7
133.02965	14.8
134.03784	2.6
135.04543	4.0
137.02429	2.0
138.94887	0.5
139.03986	0.9
145.02957	2.4
155.37090	0.5
161.02460	36.3
162.02762	1.1
178.02762	0.6
179.03444	1.5
182.33107	0.5
186.02011	0.4
358.97751	0.5
455.35349	9.1
456.35715	1.2
520.96277	0.5
530.63538	0.5
575.37219	0.9
585.35260	0.5
603.36926	100.0
604.37183	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3688
Annotation	3beta-p-Hydroxybenzoyldehydrotumulosic acid
Peak:m/z	Relative Intensity
50.88933	0.5
58.87403	0.6
59.01387	3.9
59.01631	0.6
65.08993	0.6
70.77757	0.5
71.27948	0.6
85.99586	0.5
99.34158	0.7
103.37179	0.6
107.05042	1.7
107.59113	0.6
117.03463	11.0
119.05033	4.3
121.02961	2.5
123.04583	0.7
133.02937	1.9
145.02962	37.8
146.03349	1.0
151.04037	1.9
161.02502	0.6
162.03212	0.8
163.04048	2.7
173.11702	0.6
181.05066	0.6
181.08691	1.1
209.08249	1.7
225.07840	1.0
262.49686	0.7
344.50522	0.7
367.13730	0.6
393.18930	1.0
439.32132	2.3
449.65414	0.6
457.31726	1.1
475.82602	0.8
487.34076	0.9
528.04590	0.6
559.37964	14.6
560.38153	2.2
603.36902	100.0
604.27600	0.5
604.37225	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	603.4062
Annotation	3-O-(E)-Caffeoylbetulin
Peak:m/z	Relative Intensity
52.67558	1.1
58.44829	0.8
60.47330	0.9
69.40267	0.9
94.72795	0.9
117.03525	1.3
132.52895	1.2
133.02946	11.8
134.03720	2.3
135.04509	4.8
137.02461	2.6
145.02940	2.3
161.02448	34.5
162.02744	1.7
179.03491	1.7
181.08751	1.9
190.16209	1.1
202.89960	1.1
223.06259	1.4
265.10809	1.5
279.12448	2.5
300.35129	1.0
442.19931	0.9
449.13306	1.0
555.84100	1.0
573.39777	6.1
574.39893	1.4
603.40540	100.0
604.40930	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.4064
Annotation	3-O-(E)-Caffeoylbetulin
Peak:m/z	Relative Intensity
51.21286	0.4
51.79185	0.4
58.05789	0.5
72.00747	0.4
78.95892	0.5
98.21719	0.8
101.01054	0.5
117.03490	0.5
132.02133	0.7
133.02965	14.1
134.03770	2.7
135.04532	4.3
137.02477	2.3
139.04039	1.0
142.08449	0.4
145.02972	0.6
155.76457	0.4
161.02457	30.4
162.02750	1.2
179.03516	0.9
181.08737	1.5
186.52573	0.4
236.08772	0.5
291.19794	0.5
309.20734	0.8
311.22293	0.8
434.41321	0.5
603.40601	100.0
604.40973	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50621	0.8
57.28462	0.6
65.06333	0.6
67.01854	2.0
69.03428	1.7
70.39069	0.5
70.92512	1.4
71.01386	6.0
78.95873	1.6
79.01862	1.2
81.03416	1.1
83.01375	1.8
85.02930	1.6
86.19502	0.7
95.01353	3.0
96.95488	0.8
96.96013	8.1
96.96927	1.5
97.02935	1.5
101.02454	1.4
107.00743	0.8
107.01401	10.5
109.02929	1.8
111.00909	3.4
111.01590	0.6
113.02386	2.0
121.02926	2.1
123.00900	14.0
123.04552	0.9
124.01614	3.0
125.02460	67.8
126.02759	1.8
127.00340	0.8
134.56613	0.7
136.98799	1.5
137.02364	1.8
138.03221	0.8
139.00403	5.6
139.03999	1.6
140.01167	4.6
143.84215	0.6
149.02432	2.7
150.99399	0.7
151.00407	7.5
151.03957	1.6
153.01886	1.4
161.02426	0.8
165.01880	1.8
166.99812	2.3
167.03539	3.7
168.00636	6.9
169.01436	85.1
170.01732	2.2
177.01900	1.8
179.03436	1.9
183.03011	0.9
191.03429	1.1
193.01428	4.5
195.02881	0.7
205.01382	1.4
209.04546	1.4
211.02464	5.7
223.02449	1.3
225.95204	0.6
235.02480	1.4
241.03395	1.3
247.02307	1.0
253.03508	1.4
268.92520	0.7
284.43390	0.7
285.35385	0.6
295.04590	2.6
297.06082	4.4
300.99896	1.5
313.05695	30.8
314.05850	1.5
453.10675	3.7
465.06735	100.0
466.07062	9.4
484.12585	0.8
605.11511	26.4
606.11957	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.8
70.54775	0.8
70.55134	1.3
71.01376	1.9
83.01405	1.1
85.02989	1.1
93.03463	40.6
97.02946	0.7
101.02483	1.5
109.02975	1.0
111.04491	0.5
113.02436	0.9
121.02995	0.7
123.00886	0.8
124.01683	0.6
125.02457	7.6
125.89326	0.6
137.02457	100.0
138.02823	2.1
139.04042	1.4
161.04584	0.6
163.00465	0.9
164.01097	0.7
165.01950	2.0
165.05586	0.9
167.03522	2.2
169.01422	0.7
175.03935	0.7
177.01976	0.9
179.03516	1.5
219.06607	1.2
221.04544	0.7
243.02847	0.6
245.01070	0.7
247.02444	0.7
275.01904	0.6
289.07056	0.8
299.07751	16.5
299.98904	0.8
300.99927	3.2
301.03326	0.7
302.78473	0.7
305.06714	6.7
336.05597	0.6
387.26938	0.6
495.10446	0.6
565.60303	0.8
605.24536	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	605.202
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	10.6
61.98832	7.5
67.54325	1.5
70.24742	5.1
71.01382	6.6
73.02962	2.5
83.01398	2.2
84.93809	1.5
85.02927	2.7
87.04514	3.0
89.02457	3.6
95.01381	3.1
97.02962	1.8
97.06619	5.4
98.21925	2.1
101.02461	5.4
105.34843	1.5
107.01394	3.4
108.02097	2.0
109.02972	2.3
111.00887	2.5
113.02525	2.0
116.92851	1.5
118.15186	1.4
123.00916	8.6
125.02448	28.4
127.11292	1.5
134.03694	3.7
137.02452	3.6
139.00424	3.5
140.01190	3.7
147.55244	1.7
151.00374	5.7
153.01974	1.7
157.12401	2.0
159.06635	14.5
161.02415	2.6
161.04597	1.7
168.00626	5.3
169.01437	42.1
178.02728	3.3
183.06628	3.0
190.02882	1.8
193.01448	1.7
193.05074	7.3
211.02469	7.7
241.03645	2.0
261.09671	2.2
271.04581	14.9
289.07196	6.0
311.12866	3.8
313.05530	7.0
321.11816	3.5
455.13724	1.6
458.84363	1.8
569.22375	100.0
570.22589	12.2
605.23248	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96635	0.8
54.02949	0.8
59.01371	2.7
61.98824	4.0
67.08990	0.8
71.01376	2.3
71.28041	0.9
78.95890	1.3
85.02949	1.7
95.88709	0.8
99.00899	1.2
101.02467	0.8
105.03516	1.0
109.02995	0.9
113.09737	5.0
115.92104	1.6
116.92859	2.2
123.00871	0.9
123.04543	0.8
125.02475	2.4
135.04495	3.1
149.02477	1.1
163.04034	5.5
169.01476	0.9
175.03998	4.2
177.01938	1.6
181.08719	23.2
182.09096	0.8
189.01794	1.2
193.01462	3.5
195.06682	1.0
205.08730	1.8
207.03000	4.5
209.08148	1.8
285.11285	0.9
296.00537	0.9
299.09280	0.9
311.12964	5.5
327.12372	1.4
337.14273	1.8
341.13861	1.6
352.09494	1.0
353.13968	3.2
355.11942	2.6
364.09528	5.2
366.11469	1.2
367.11798	2.7
370.14206	4.6
379.11789	8.5
381.13379	5.5
383.14929	2.6
385.16431	5.7
386.16937	1.2
396.15799	17.2
397.16049	1.1
411.18143	40.7
412.18527	3.5
423.11066	1.5
444.34174	0.9
489.36127	1.8
545.29462	2.6
561.21021	3.5
605.20258	100.0
605.35889	2.8
606.20514	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	605.202
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	10.6
61.98832	7.5
67.54325	1.5
70.24742	5.1
71.01382	6.6
73.02962	2.5
83.01398	2.2
84.93809	1.5
85.02927	2.7
87.04514	3.0
89.02457	3.6
95.01381	3.1
97.02962	1.8
97.06619	5.4
98.21925	2.1
101.02461	5.4
105.34843	1.5
107.01394	3.4
108.02097	2.0
109.02972	2.3
111.00887	2.5
113.02525	2.0
116.92851	1.5
118.15186	1.4
123.00916	8.6
125.02448	28.4
127.11292	1.5
134.03694	3.7
137.02452	3.6
139.00424	3.5
140.01190	3.7
147.55244	1.7
151.00374	5.7
153.01974	1.7
157.12401	2.0
159.06635	14.5
161.02415	2.6
161.04597	1.7
168.00626	5.3
169.01437	42.1
178.02728	3.3
183.06628	3.0
190.02882	1.8
193.01448	1.7
193.05074	7.3
211.02469	7.7
241.03645	2.0
261.09671	2.2
271.04581	14.9
289.07196	6.0
311.12866	3.8
313.05530	7.0
321.11816	3.5
455.13724	1.6
458.84363	1.8
569.22375	100.0
570.22589	12.2
605.23248	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18606	0.2
53.45126	0.2
59.01372	0.8
61.98824	0.6
69.52175	0.9
71.01359	0.6
71.21095	0.2
73.62772	0.2
89.02447	0.4
93.03458	0.4
96.95990	1.0
108.02174	0.6
109.02960	1.0
121.02966	3.2
122.03755	0.4
123.04510	0.4
125.02472	0.6
134.03748	3.4
135.04543	2.0
145.02919	0.4
147.04550	0.4
148.05278	0.4
149.06085	3.2
159.04478	0.6
160.05238	0.7
161.06058	1.1
162.06921	0.3
173.06081	0.6
174.06857	3.9
175.07645	1.9
187.03981	0.3
187.07625	0.7
188.08452	1.2
225.09349	0.3
233.06615	0.5
237.09264	0.3
251.10741	0.4
253.08691	0.7
255.06628	0.3
257.73581	0.2
263.07083	0.4
267.06729	0.4
271.02496	0.7
277.08698	1.0
278.09500	2.4
279.10281	5.0
280.10870	0.7
281.08200	4.6
282.08685	0.3
293.08716	0.6
294.09064	0.4
295.06384	0.3
295.09766	5.9
296.10550	19.5
297.10858	1.4
299.02069	1.6
300.03183	0.2
311.12909	100.0
312.13254	6.2
440.68271	0.2
502.24512	0.2
605.13989	0.7
605.22418	8.0
606.22552	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82381	0.3
59.01365	1.0
61.98820	0.6
68.35693	0.3
71.01388	1.5
71.29920	0.3
79.95721	0.6
84.95105	0.3
85.02972	0.3
89.02448	0.9
93.03429	0.4
96.96017	5.9
99.00879	0.4
101.02477	0.5
108.02169	0.4
109.02963	1.0
110.97590	0.3
113.02465	0.4
116.92835	0.5
121.02953	3.5
122.03742	0.6
123.04511	0.3
125.02447	1.1
134.03760	3.6
135.04576	1.8
145.02963	0.4
147.04607	0.4
147.62111	0.3
148.05275	0.5
149.06099	4.3
159.04428	0.5
160.05304	0.6
161.06105	0.9
169.01382	0.4
173.03526	0.3
173.06059	0.7
174.06871	3.5
175.07664	1.6
177.05501	0.3
187.07622	0.8
188.08427	1.2
233.06644	0.9
240.04399	0.4
241.05122	0.3
243.06638	0.5
246.53337	0.3
247.52174	0.3
251.10735	0.4
253.08624	0.5
255.06645	0.4
263.07062	0.3
270.09146	0.3
271.02332	0.5
274.65216	0.3
277.08704	1.2
278.09421	2.2
279.10260	4.7
279.13080	0.4
280.10831	0.8
281.08194	4.0
293.08780	1.2
294.09036	0.6
295.09750	6.1
296.10547	16.1
297.10910	0.9
299.01959	1.8
311.12903	100.0
312.13239	7.5
338.19641	0.3
525.18030	0.3
605.13208	2.9
605.22534	5.0
606.14038	0.5
606.22736	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02694	0.6
59.01368	2.3
61.98839	1.9
69.63959	0.6
70.17084	2.0
93.47369	0.7
96.96024	6.6
110.40093	0.8
112.68166	0.7
117.03465	1.0
121.02902	0.7
132.02190	0.9
133.02971	13.6
134.03847	3.6
134.06863	0.8
135.04530	4.1
137.02429	2.6
139.04024	0.9
142.73195	0.8
145.02945	3.4
161.02458	30.8
162.02731	1.1
175.79657	0.8
179.03445	1.5
189.55814	0.7
230.60928	0.7
248.67334	0.9
276.81830	0.8
284.70737	0.9
352.16693	0.8
561.35889	10.6
562.36115	1.5
605.34845	100.0
606.35181	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	605.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
67.55073	0.2
68.99651	2.6
73.78780	0.2
78.88862	0.2
96.96007	0.6
117.03474	1.1
119.05037	0.4
121.02966	0.4
132.02206	0.5
133.02968	14.6
134.03793	3.7
135.04541	4.1
137.02464	2.3
139.03995	0.8
145.03001	2.3
150.03194	0.3
152.01144	0.5
161.02452	35.7
162.02792	1.2
163.04137	0.3
178.02681	0.7
179.03517	2.0
438.58008	0.3
587.37054	0.6
605.38507	100.0
606.38818	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	605.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35808	0.2
71.30233	0.2
96.96033	0.3
99.92567	0.6
104.01360	0.2
104.02731	0.2
105.03455	0.4
111.00908	0.2
115.92076	0.6
116.92871	3.0
117.03490	0.2
121.02950	0.4
129.53769	0.2
132.02190	0.7
133.02963	15.9
134.03787	3.7
135.04539	4.4
137.02449	2.7
139.04019	0.8
145.02954	0.7
150.03261	0.3
161.02454	37.8
162.02765	1.2
163.04108	0.2
178.02768	0.9
179.03506	2.0
183.03017	2.4
268.09445	0.2
349.68893	0.2
605.38470	100.0
606.38818	16.5
621.56610	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90649	0.3
59.01373	0.3
61.98841	0.3
69.55328	0.2
70.09010	0.3
70.16493	0.6
70.53541	0.3
73.48254	0.3
96.96008	1.0
98.22477	0.3
113.97149	0.3
117.03471	0.4
121.02986	0.4
132.02225	0.4
133.02974	10.3
134.03763	2.0
135.04544	3.1
137.02463	1.9
139.04005	0.6
145.02951	0.8
145.23418	0.3
161.02460	29.5
162.02809	1.3
178.02719	0.8
179.03418	1.3
285.44061	0.3
605.38501	100.0
606.38849	15.5
606.48920	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.1
61.98820	0.5
71.05019	1.3
71.17896	0.7
83.05041	1.1
93.03469	0.5
97.02982	0.4
105.03470	2.8
106.04252	0.4
110.25171	0.4
115.04019	4.2
117.03483	1.9
121.02945	0.7
123.04531	0.4
123.08171	1.1
132.02194	3.9
133.02977	10.7
134.03781	3.3
135.04567	3.1
137.02443	1.7
139.03976	0.8
145.02953	2.7
149.02415	1.9
150.03273	1.1
157.34766	0.5
161.02461	27.0
162.02779	1.0
178.02692	0.4
179.03532	1.5
298.90384	0.4
358.04437	0.4
369.20691	0.8
385.03952	0.4
455.35355	0.5
528.36163	1.6
529.36249	0.5
543.38672	1.4
575.37341	2.3
587.38330	0.5
605.38531	100.0
606.38824	15.8
606.53540	0.5
619.07733	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93702	0.4
93.80130	0.5
98.21739	1.3
105.68438	0.5
106.04298	0.5
121.02977	0.8
132.02129	0.9
133.02965	17.8
134.03793	3.5
135.04532	5.0
137.02481	3.2
139.04037	0.8
145.03053	0.7
148.04433	0.4
150.03293	0.6
161.02457	46.6
162.02780	1.5
178.02768	0.7
179.03490	1.7
210.43764	0.4
455.35419	0.7
605.38483	100.0
606.38831	15.4
606.48767	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
61.17799	0.4
69.21891	1.6
69.22308	1.4
71.54971	0.4
100.11723	0.4
117.36463	0.4
132.02190	0.6
133.02969	12.0
134.03799	2.5
135.04546	3.7
137.02452	2.1
145.02957	0.6
161.02457	33.1
162.02779	1.6
177.01971	0.4
179.03479	1.0
198.21895	0.4
205.74391	0.4
242.61644	0.4
305.43552	0.4
319.36465	0.4
431.70941	0.4
435.86688	0.4
485.41910	0.4
587.37421	0.9
605.38483	100.0
606.38849	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	605.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66132	0.4
55.01017	0.4
55.72155	0.4
71.48870	0.4
111.29630	0.5
117.75712	0.4
118.75710	0.4
121.02889	0.5
126.02054	0.4
127.52881	0.5
133.02968	13.3
134.03769	3.8
135.04565	4.0
137.02449	3.5
139.03978	1.2
140.21350	0.4
161.02455	34.9
162.02791	1.0
178.02704	1.7
179.03505	2.3
202.25975	0.4
203.05092	0.4
226.96938	0.5
296.23160	0.6
301.14355	0.9
381.20746	0.6
382.21674	0.4
383.22229	1.4
384.22705	0.5
395.61758	0.5
404.76224	0.5
451.28510	2.7
517.33771	1.0
532.31085	0.8
560.38745	0.7
564.34912	0.6
573.36121	0.6
587.37402	1.2
605.38513	100.0
606.38831	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	605.3858
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22719	0.3
53.75447	0.4
70.59135	0.7
87.54372	0.4
93.03497	0.6
106.04211	0.5
109.02921	0.5
111.00970	0.4
117.03464	0.7
121.02956	2.9
123.35340	0.4
132.02153	0.6
133.02969	15.0
134.03764	15.5
135.04552	6.1
137.02458	18.5
138.02765	0.5
139.04024	6.1
143.19171	0.4
145.02930	1.0
149.02396	0.5
149.06128	0.8
150.03218	2.5
161.02458	44.5
162.02765	2.1
165.02000	0.6
175.07605	0.5
177.01950	0.5
178.02725	13.7
179.03516	4.4
194.02351	0.4
194.77623	0.4
201.63994	0.4
258.16092	0.7
287.12955	1.7
300.13727	0.5
301.14478	8.3
302.15118	0.4
315.16019	3.1
334.14417	0.7
353.17566	0.6
355.19159	1.8
367.19247	1.9
368.19583	0.6
369.20667	6.8
370.21255	0.7
381.20691	6.8
382.21494	3.8
383.22321	12.2
384.22852	1.7
395.22379	0.8
396.22992	0.9
397.23828	1.5
411.25592	0.8
414.20609	0.9
423.25537	0.9
437.26968	4.6
438.27591	0.5
451.28610	4.4
452.28854	0.4
463.29288	0.5
465.30414	2.2
488.33386	0.4
491.27615	4.5
492.27817	0.6
503.27835	1.1
505.29379	32.0
506.29779	6.6
507.31265	0.4
517.33313	1.3
531.34509	0.9
532.35474	0.7
533.32416	0.4
536.30072	0.4
538.29681	0.8
545.32214	2.2
546.33221	0.4
547.34216	0.6
559.34290	10.9
560.34692	3.3
571.38312	1.1
573.35876	19.5
574.36401	2.5
584.94458	0.4
587.37439	3.5
588.38123	10.8
589.38538	1.9
605.38531	100.0
606.38800	15.0
620.37286	3.6
621.37390	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3849
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.6
61.98823	0.2
68.09840	0.2
69.69600	0.2
69.69932	0.7
70.08984	0.2
76.02165	0.2
93.03471	0.2
96.96001	1.0
98.22524	0.3
117.03460	0.3
121.02956	0.6
127.35097	0.2
128.90742	0.2
132.02190	0.6
133.02963	16.2
134.03772	3.4
135.04538	5.0
136.04784	0.2
137.02457	2.8
139.04018	0.8
140.73264	0.2
145.02974	0.5
161.02454	37.7
162.02800	1.1
178.02737	0.9
179.03519	1.8
192.90930	0.2
348.32846	0.2
497.50403	0.2
516.57971	0.2
526.83569	0.2
587.36932	0.3
605.38495	100.0
606.38849	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	605.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88361	0.2
53.43943	0.2
58.22636	0.2
68.89673	0.2
68.99553	0.2
89.60743	0.2
95.16064	0.2
96.96016	2.7
98.22551	0.4
105.78737	0.3
117.03427	0.4
121.02979	0.4
132.02167	0.9
133.02972	13.7
134.03763	3.4
135.04541	4.1
137.02429	2.2
139.04016	0.8
145.02969	0.6
161.02455	34.5
162.02818	0.8
178.02766	0.5
179.03566	1.2
215.79541	0.3
294.48886	0.2
423.32715	0.6
469.33496	0.6
534.82111	0.3
605.38525	100.0
606.38824	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	605.4214
Annotation	Unknow
Peak:m/z	Relative Intensity
63.95496	0.6
69.06051	1.2
69.06454	3.4
69.88937	0.6
73.23212	0.6
96.95998	3.4
116.92844	1.5
117.03481	19.0
119.05026	1.8
121.03008	3.4
123.04527	1.0
133.02974	9.0
134.03705	1.2
135.04541	2.9
137.02408	1.2
145.02959	50.6
146.03284	1.9
161.02463	25.0
162.02940	1.8
179.03461	1.1
272.12860	0.6
312.43878	0.6
335.69522	0.7
341.77554	0.6
561.62360	0.7
571.67328	0.8
605.42310	100.0
606.42639	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	605.4217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38247	0.6
58.23707	0.5
61.98822	0.9
63.22224	0.5
72.69125	0.6
72.94234	0.5
81.05424	0.6
81.99785	0.6
83.52380	0.6
84.46455	0.6
108.32725	0.6
113.72234	0.6
127.73974	0.9
133.02963	8.6
134.03719	1.8
135.04559	3.4
137.02487	2.2
161.02463	26.7
162.02896	0.7
178.02727	0.7
179.03537	1.3
339.27878	0.6
339.81842	0.7
369.20816	0.8
605.42151	100.0
606.42578	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	605.4219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11477	0.3
70.09104	0.3
71.58864	0.3
89.09164	0.3
97.70052	0.3
98.21790	0.6
110.97356	0.3
117.03487	0.4
129.16693	0.4
132.02246	0.5
133.02966	15.2
134.03772	3.4
135.04558	4.6
137.02484	2.7
139.04048	0.8
145.02966	0.6
161.02452	37.4
162.02811	1.2
178.02756	0.9
179.03494	2.0
179.07144	0.4
188.58469	0.3
217.64612	0.3
219.33203	0.3
477.30316	0.4
547.34351	0.7
605.42188	100.0
606.42529	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	606.0897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41755	0.6
59.01368	1.2
60.89815	0.6
61.98833	9.4
65.00315	0.6
69.28364	3.5
96.96017	2.5
107.01421	1.8
109.02988	1.3
121.02985	0.9
125.02465	0.9
133.02995	1.0
136.24228	0.7
151.00401	3.5
157.02884	0.7
161.61302	0.6
165.05521	0.6
169.01559	0.9
171.04550	1.7
175.04019	1.4
178.99867	0.9
179.78551	0.6
187.04037	1.0
199.04005	5.1
201.01945	1.2
215.03525	2.0
226.02773	2.0
227.03506	3.4
243.02966	7.9
243.06645	2.3
254.02087	1.2
255.02969	2.3
260.18298	0.6
271.02493	47.7
272.02985	3.2
279.10165	0.8
281.08325	1.0
282.59494	0.6
295.09836	0.9
296.10449	3.4
297.10898	1.2
299.01987	100.0
300.02652	18.7
301.03491	5.1
311.12894	13.7
311.16321	1.1
312.13248	9.2
584.95679	0.6
606.14050	1.3
606.22540	1.4
607.15204	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.74244	0.9
63.25943	0.8
63.99057	0.8
67.33904	0.8
68.57953	0.8
87.01515	0.9
95.32778	0.7
98.22638	1.4
104.60565	0.8
105.23631	0.8
111.00877	3.6
139.00386	14.8
139.03947	0.9
145.02983	1.7
161.02438	1.9
167.99403	8.3
169.00177	88.6
170.00574	2.0
172.38370	0.8
181.08727	3.0
183.01720	1.7
184.02516	100.0
185.02802	2.1
258.72183	0.9
277.21719	2.5
371.15109	1.5
429.45831	0.8
606.29309	38.9
606.38757	6.3
607.29340	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	607.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.9
57.03436	0.7
59.01360	0.8
61.98513	0.8
61.98834	13.0
71.01382	0.6
71.05029	4.1
71.28146	1.0
78.95915	4.7
79.01884	1.9
83.01359	0.5
85.06613	1.2
87.04520	4.6
95.01379	0.5
95.05034	2.3
96.68343	0.5
96.96012	0.5
96.97023	0.7
97.02959	6.4
107.05037	0.9
109.02947	0.8
109.06587	1.3
111.04546	3.4
113.09741	3.3
116.92876	0.9
121.02993	1.0
122.39954	0.6
123.04514	0.7
123.08158	3.1
125.02486	0.7
135.04567	0.6
138.03217	0.9
139.04022	67.8
140.04358	1.8
147.08163	1.0
150.06895	1.2
151.07716	0.7
152.99612	3.5
153.05569	1.5
161.06097	0.6
163.04021	6.4
163.07695	1.0
165.01920	0.8
165.09204	17.8
166.09587	0.8
167.07152	0.7
177.05544	0.6
181.05127	1.2
181.08704	19.3
183.97040	0.5
191.07152	1.9
193.05016	1.1
193.08710	5.3
195.06619	0.7
199.52655	0.6
205.05116	0.9
205.08627	0.6
207.06715	0.9
208.07387	1.5
209.08195	100.0
209.11682	2.9
210.08569	4.3
211.13423	3.4
217.08731	0.6
219.13770	1.1
227.12895	1.0
233.08115	1.8
260.60938	0.5
263.12863	12.4
264.13324	0.8
283.08249	3.0
347.12781	0.8
363.12012	0.9
371.00479	0.5
371.13492	15.1
371.17981	1.0
372.13834	1.2
395.15030	0.5
401.16269	1.4
425.18091	1.8
575.26440	1.8
607.27631	88.9
608.27924	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	607.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.3
59.01383	1.6
61.98827	3.2
65.03909	0.6
67.11237	0.8
70.32188	2.0
71.05031	4.0
78.95891	4.7
79.01891	1.6
81.93336	0.7
83.04286	0.8
85.06610	1.9
87.04530	5.1
88.98853	0.7
95.05040	4.1
96.95999	1.9
97.02953	7.6
108.02146	1.3
109.06608	1.2
111.04526	3.4
113.09738	3.0
116.76302	0.6
116.92862	1.6
121.02944	0.7
122.16571	0.7
123.08186	2.8
125.02412	0.7
138.03157	1.4
139.04027	73.5
140.04416	1.2
145.02953	1.5
147.08281	1.0
149.09703	0.7
152.99631	2.5
153.05550	1.7
161.06166	0.8
163.04021	6.6
165.01929	1.2
165.09221	18.0
166.09607	0.9
167.07239	0.7
177.05490	0.7
181.05113	0.9
181.08725	19.6
182.09081	1.5
189.57767	0.7
191.07204	1.3
193.05182	0.9
193.08739	6.4
205.05074	2.0
208.07420	1.7
209.08211	100.0
210.08508	2.8
211.13390	3.6
217.08638	0.9
219.13922	1.6
233.08209	1.9
253.65819	0.8
263.12885	10.5
264.13092	1.0
279.06580	0.7
282.62128	0.7
283.08304	2.7
308.11057	0.7
347.12656	1.7
365.13547	1.2
371.13507	17.2
372.14148	0.9
388.15997	0.8
401.16190	1.1
425.18219	1.8
470.32245	0.8
575.26166	2.4
607.27649	95.7
608.28094	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	607.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.8
57.28629	0.4
61.98797	0.4
65.00325	0.9
69.36235	1.0
69.36645	1.0
81.03467	3.2
83.01389	0.9
83.04281	0.5
96.96002	1.2
99.08128	1.1
101.06104	0.7
113.09752	2.6
123.08167	1.9
125.02467	11.1
125.06082	5.0
135.08220	0.4
136.05327	0.8
137.06154	0.4
141.09163	0.6
147.08141	1.5
149.02425	1.2
151.00423	1.1
151.07631	1.2
152.01164	0.5
165.09218	22.7
166.06406	0.6
166.09615	0.8
167.03577	0.4
179.07144	1.4
181.08716	10.1
184.83473	0.4
191.07193	1.5
195.06642	6.7
205.05064	0.5
209.08205	100.0
210.08566	3.6
219.13914	1.1
233.08293	1.4
251.09386	0.8
263.12921	11.2
264.13211	0.5
342.85703	0.5
371.13461	5.9
425.18130	0.6
571.54517	0.5
607.27661	62.2
608.28027	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	607.276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14001	0.2
57.03445	1.3
59.01349	0.4
61.98815	0.3
63.89116	0.3
65.00302	0.4
67.03400	0.2
70.77435	0.3
70.77745	0.3
75.38461	0.2
81.03463	3.1
83.01397	1.1
83.04255	0.4
83.05018	0.4
87.04517	0.4
95.04997	0.3
99.08154	0.3
107.01377	0.6
109.06551	0.4
111.04539	0.4
111.08173	0.2
113.09734	2.0
115.08530	0.2
118.16909	0.2
122.03745	1.2
123.08178	1.7
124.08502	0.2
125.02455	14.0
125.06094	3.7
133.03003	2.2
134.03711	0.4
135.04538	0.6
135.08104	0.2
137.02441	0.6
139.04005	0.6
141.09215	0.5
149.02454	1.7
151.00374	1.3
151.04027	0.7
151.07593	0.3
152.01183	0.2
161.02458	6.3
162.79655	0.2
165.09216	24.3
166.09517	0.6
167.03467	0.7
167.07172	0.4
175.03987	0.2
179.03465	0.3
179.07161	2.0
181.08716	10.0
182.09000	0.4
191.07132	0.9
195.06641	0.6
205.08853	0.3
209.08200	100.0
210.08517	4.1
213.77922	0.3
219.13925	0.9
221.08186	0.7
223.09785	0.8
233.08162	1.1
235.09633	0.4
237.11394	0.3
251.09270	1.3
263.12897	10.4
264.13239	0.6
280.90585	0.3
290.46487	0.3
371.13510	6.3
371.17981	0.4
372.13669	0.6
425.18210	0.8
457.33432	1.4
458.33145	0.4
459.34161	0.6
549.20013	0.3
607.27747	57.6
607.36652	11.8
608.28180	6.6
608.37048	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.8
62.84543	0.3
63.82854	0.4
65.81023	0.3
68.97068	1.5
68.97490	2.1
82.82531	0.4
94.38965	0.4
95.05022	0.5
109.02943	0.4
109.06597	0.9
111.04522	1.8
113.09739	6.7
123.00874	0.4
133.80226	0.4
134.03876	0.3
137.02473	0.5
138.03236	3.0
139.04031	1.8
146.03763	0.5
146.14285	0.4
149.06126	0.4
160.01793	0.4
162.84935	0.4
165.01958	3.0
165.09193	2.3
166.02721	13.7
166.06343	0.7
175.07480	0.4
179.07198	0.6
180.07870	0.5
181.08719	30.5
182.09048	1.6
191.07156	0.9
193.05081	0.7
207.06624	3.4
208.07413	41.2
209.08179	14.3
210.08615	0.5
219.06648	2.9
229.08582	0.5
233.08075	0.5
240.06381	0.4
241.08598	0.5
247.09750	12.3
248.10011	0.5
262.12131	0.8
263.12820	1.3
327.16116	0.8
371.14999	100.0
372.15344	8.2
372.19873	0.7
403.61136	0.4
425.19727	15.1
426.20081	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
66.55004	0.9
67.81699	0.8
68.97568	4.8
68.97991	3.0
88.81415	1.0
97.03033	1.5
111.04546	1.7
113.09723	3.6
123.84483	0.9
134.91557	0.9
138.03223	1.7
139.04045	1.0
165.01991	3.4
165.09206	2.1
166.02722	11.4
181.08723	31.5
182.08963	1.2
187.81537	0.9
191.07083	1.0
194.43242	1.0
207.06613	2.7
208.07419	46.4
209.08168	19.0
219.06601	2.9
247.09789	11.7
262.11871	1.6
263.12967	1.3
327.15750	1.3
371.15009	100.0
372.15356	10.8
425.19714	17.0
426.19971	2.2
622.01013	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.4008
Annotation	Ulmicin A
Peak:m/z	Relative Intensity
61.14829	0.8
70.64445	1.7
133.02971	12.0
134.03770	2.2
135.04555	3.5
137.02451	2.0
159.86214	0.8
161.02455	30.6
162.02881	0.9
165.17612	0.7
178.02791	1.1
192.67677	0.8
195.39668	0.8
241.28020	0.8
281.48615	0.8
357.87271	0.8
394.10095	0.9
455.35367	1.4
607.40088	100.0
608.40533	14.7
639.61993	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.4008
Annotation	Ulmicin A
Peak:m/z	Relative Intensity
64.35660	0.2
79.34513	0.2
88.18361	0.2
95.01380	0.6
98.21825	0.6
119.05740	0.2
124.01668	2.6
132.02199	0.6
133.02968	12.4
134.03773	3.4
135.04541	4.1
137.02452	2.2
139.04027	0.9
145.46426	0.2
150.03168	0.3
161.02454	33.6
162.02771	1.3
178.02704	0.8
179.03497	1.7
199.22052	0.2
213.45897	0.2
220.72665	0.2
307.70096	0.2
455.35510	0.4
587.89368	0.2
607.40070	100.0
608.40430	14.4
608.50549	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.4011
Annotation	Ulmicin A
Peak:m/z	Relative Intensity
51.55335	0.3
74.35051	0.3
98.22550	0.6
98.73598	0.3
107.05058	3.1
110.77106	0.3
115.01899	0.3
116.92892	0.4
121.02969	0.8
132.02159	0.5
133.02980	13.0
134.03810	2.9
135.04535	4.2
137.02452	2.5
139.04085	0.8
155.57674	0.3
161.02464	34.3
162.02831	1.6
178.02676	0.5
179.03470	1.5
199.57112	0.3
228.81718	0.3
453.34372	0.4
455.35388	3.4
593.50055	0.4
607.40063	100.0
608.40430	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	608.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.8
61.98829	6.5
71.01368	1.5
72.42810	1.4
73.69649	1.4
102.98546	1.5
108.02416	1.6
125.02424	1.8
127.70192	1.6
139.00362	2.0
139.04176	1.7
151.00395	9.1
151.01431	1.5
152.01218	3.8
166.02733	27.8
167.03522	4.6
181.05080	35.3
182.05322	1.8
190.06348	5.2
191.07161	5.1
193.08800	1.6
193.77956	1.5
195.06671	2.2
205.08714	2.3
206.09457	1.7
224.61438	1.3
248.79062	1.3
316.85764	1.5
339.30618	1.8
347.47311	1.4
373.12802	7.0
388.15314	6.8
389.15674	1.6
403.17636	100.0
404.17935	8.1
609.12909	1.7
626.56750	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.0198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.4
59.01368	2.9
68.54269	1.3
69.38577	2.2
69.38982	5.3
78.91907	1.9
83.01397	1.6
87.00841	1.4
95.01356	1.3
96.96018	9.0
99.92587	10.5
116.92870	100.0
117.92867	3.8
125.02447	20.9
125.58698	1.3
137.02467	3.8
161.02441	4.4
165.01967	2.7
167.03580	3.0
169.01434	10.2
177.01924	2.0
195.06639	1.8
203.10783	2.2
211.02490	5.4
250.34599	1.3
271.04620	11.1
275.02097	1.5
284.92090	1.6
287.05682	3.8
287.28394	1.3
305.06549	2.0
331.06619	2.0
387.42957	1.4
439.06641	1.8
609.16754	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	609.1254
Annotation	Gallocatechin-(4alpha->6)-gallocatechin
Peak:m/z	Relative Intensity
57.03453	11.5
59.01361	1.5
69.03481	1.4
70.44376	2.7
72.11759	0.9
81.03475	2.1
83.01382	4.2
85.02972	1.7
93.03472	3.3
95.01426	1.4
95.05036	1.6
97.02982	2.3
105.03487	1.2
109.02966	12.2
111.04539	2.4
113.02446	1.5
118.90739	0.9
121.02960	5.8
123.00891	4.3
124.01732	1.1
125.02460	100.0
126.02792	2.0
133.02925	1.5
135.04579	1.1
137.01462	1.9
137.02458	25.6
137.03522	1.3
138.03242	1.4
139.04024	12.7
149.02483	7.6
151.04004	3.7
159.04543	1.5
161.02492	1.7
163.00340	0.8
163.04021	1.7
164.01147	3.8
165.01956	11.9
167.03528	13.3
171.04526	1.0
175.03984	6.7
177.01942	70.2
177.05513	2.6
178.02443	2.8
179.03505	9.2
185.06155	0.9
187.04012	3.9
189.05431	1.0
191.03423	1.3
191.07127	1.5
196.82191	0.9
199.04028	2.3
201.05624	1.4
203.03551	2.8
204.04320	2.3
205.01392	2.2
211.04015	2.6
213.05554	1.8
215.03525	3.4
217.05042	2.2
219.06580	6.1
221.04599	4.4
227.03549	1.3
228.04321	2.1
229.05035	3.1
243.02962	7.3
243.06694	1.7
255.02980	18.8
256.03799	4.8
257.04520	2.9
261.03986	4.1
261.06995	1.1
267.02991	1.1
267.07233	9.0
269.04572	2.4
273.04150	4.4
283.02557	11.1
284.02811	1.3
285.03998	3.2
297.04105	5.0
298.04605	1.5
299.05496	1.5
303.05182	5.8
305.06686	61.5
306.07068	3.3
315.04990	2.7
355.08423	1.6
397.09113	1.5
423.07260	74.7
424.07495	6.2
441.08386	15.6
447.90787	1.1
465.08182	1.4
480.43683	1.0
483.09222	4.5
484.10532	1.0
526.02600	1.0
609.12518	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	609.1254
Annotation	Gallocatechin-(4alpha->6)-gallocatechin
Peak:m/z	Relative Intensity
50.40062	1.4
50.78363	1.4
57.03445	10.6
59.01366	2.2
60.41133	1.4
61.98827	1.6
71.01371	2.2
71.28024	1.6
73.34811	1.4
81.03465	1.7
83.01404	4.6
93.03454	3.6
95.01398	2.7
95.05035	2.5
96.96001	2.1
97.02961	2.0
109.02961	13.7
117.60744	1.3
121.02956	5.5
123.00920	4.6
123.04570	2.2
124.01658	3.2
125.02455	100.0
137.02464	24.6
138.03209	1.7
139.04021	14.1
149.02435	6.8
151.04034	5.6
163.03957	1.8
164.01172	3.1
165.01927	9.8
167.03491	11.1
173.06126	1.7
175.03993	7.2
177.01936	73.0
177.05423	3.2
178.02335	2.8
179.03510	8.8
187.04068	4.8
199.04042	2.3
201.05490	1.6
203.03508	2.8
205.01434	2.7
211.03975	2.5
215.03522	2.8
219.06664	6.8
221.04575	5.2
227.03619	2.3
228.04144	2.2
229.05185	2.8
243.02953	9.4
245.04512	1.7
255.02986	22.9
256.03638	6.0
257.04507	3.3
261.04050	3.6
261.07727	3.2
267.07126	2.1
269.04553	2.8
273.04153	5.7
282.01624	1.8
283.02484	13.2
285.03992	4.1
297.04132	7.6
300.99939	2.7
303.05151	7.2
305.06671	60.3
306.07040	4.1
306.60638	1.6
315.05014	2.2
397.09515	1.9
423.07217	88.7
424.07635	6.0
441.08304	19.3
451.35834	1.6
483.09262	5.4
609.12524	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	609.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65104	1.3
57.03445	11.4
70.54676	2.6
78.70350	1.1
80.09007	1.1
81.03443	1.8
83.01393	4.4
93.03461	3.3
95.01414	1.7
96.96029	1.9
97.02925	2.0
98.50117	1.3
108.02180	4.3
109.02962	17.2
111.04511	2.2
121.02966	6.9
123.00890	3.6
123.04506	2.4
124.01673	2.7
125.02454	100.0
126.02793	1.8
133.02969	3.3
135.04553	1.8
137.02444	24.9
139.04019	14.9
149.02440	9.7
149.06137	1.6
151.03983	5.5
152.01161	4.1
153.01949	2.0
159.04530	2.5
161.02432	3.1
163.04001	3.3
164.01144	4.6
165.01935	14.7
167.03506	14.8
175.04019	7.5
177.01932	74.6
178.02417	4.1
179.03522	8.1
181.04980	1.1
187.03943	3.8
189.01837	1.5
189.05553	1.9
190.30859	1.4
191.03465	2.0
193.05093	1.2
199.03989	2.3
203.03503	2.3
204.04167	1.6
205.01408	2.7
211.03983	1.5
215.03479	3.9
215.73105	1.2
217.04976	2.9
219.06625	7.5
221.04626	6.1
227.03531	2.9
228.04121	1.8
229.05061	2.9
243.02991	8.8
255.03017	17.5
256.03656	4.8
257.04556	2.4
261.03961	3.6
261.07715	1.8
269.04449	4.1
273.04031	5.2
282.01602	2.0
283.02420	11.0
285.03561	2.4
285.06506	8.0
297.04074	7.5
300.99817	1.9
303.05032	9.6
305.06671	68.9
306.07117	3.3
315.05011	2.9
323.13623	2.2
355.08157	3.2
397.09174	1.7
423.07224	93.4
424.07605	7.0
441.08218	21.6
465.08475	1.8
483.09186	5.9
609.12402	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1251
Annotation	Gallocatechin-(4alpha->6)-gallocatechin
Peak:m/z	Relative Intensity
52.21804	1.6
53.56779	1.4
57.03448	11.9
69.92693	2.9
81.03469	2.4
83.01379	3.7
85.02940	1.9
93.03438	3.5
95.01419	2.1
96.96030	2.0
97.02971	2.4
109.02971	12.9
111.00959	1.6
121.02962	5.2
123.00884	2.3
123.04537	1.7
124.01640	2.6
125.02454	100.0
133.02954	2.6
137.02463	24.7
139.04021	11.4
149.02454	8.4
151.04044	4.5
159.04523	2.8
161.02484	3.8
163.00304	2.7
163.03952	2.3
164.01167	3.7
165.01909	13.9
167.03510	13.4
175.03989	9.4
177.01950	78.0
177.05498	2.3
178.02414	2.4
179.03554	9.4
187.03951	3.7
191.03566	2.1
203.03519	2.2
203.08260	1.9
215.03531	3.7
217.05005	2.6
219.06647	5.5
221.04616	3.9
227.03496	2.5
229.05046	4.3
241.91360	1.6
243.03029	5.0
245.04559	1.8
255.02992	16.1
256.03668	5.3
261.04019	5.0
261.07648	3.2
269.04550	2.2
273.04019	4.0
281.04675	1.6
283.02402	10.2
285.04169	3.2
297.04013	6.4
300.99847	3.1
303.05151	7.7
305.06689	66.8
306.07004	3.6
315.05170	3.5
355.08282	1.8
397.09677	1.9
423.07211	79.3
424.07492	7.9
429.08215	2.5
441.08414	16.7
442.08243	2.1
483.09018	4.3
609.12512	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	609.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	11.6
69.52457	7.2
75.20313	1.3
79.33671	1.3
81.03455	3.5
81.18327	1.3
83.01391	2.7
93.03455	2.9
94.36876	1.3
95.01365	1.3
95.05057	1.5
97.02948	2.3
101.27563	1.4
107.00835	1.4
109.02971	12.5
111.04557	4.4
121.02959	8.6
123.00923	3.0
124.01713	2.3
125.02460	100.0
137.02466	27.3
139.04018	12.1
149.02429	9.2
149.05984	2.0
151.04007	4.9
153.02129	1.3
161.02486	3.6
163.04059	2.2
164.01143	3.0
165.01918	12.7
167.03523	13.7
173.06046	1.6
175.03947	9.2
175.05315	1.5
177.01949	75.6
177.05493	3.0
178.02419	2.3
179.03494	10.4
187.04010	4.6
189.05608	1.4
191.07094	1.4
193.05074	1.2
199.04037	1.8
203.03589	2.2
204.04155	2.6
205.01395	2.1
211.04039	2.3
215.03383	3.1
217.04970	2.3
219.02989	1.7
219.06622	7.8
221.04544	4.9
227.03494	2.0
229.05061	3.4
235.33276	1.2
243.03004	7.0
255.02995	18.5
256.03723	6.3
257.04572	3.9
261.04077	4.0
261.07681	3.4
269.04504	2.1
273.04092	4.5
283.02518	12.5
285.04083	5.9
297.04114	6.7
298.04599	2.0
303.05106	8.0
305.06680	72.2
306.06979	3.4
315.05222	1.8
344.14841	1.4
355.08325	2.2
423.07236	84.0
424.07523	6.7
441.08301	18.9
442.08740	2.5
483.09225	6.1
609.12311	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	609.1255
Annotation	quercetin 3-O-(4"-O-p-coumaroyl)-glucoside
Peak:m/z	Relative Intensity
59.01375	12.9
61.98819	3.1
63.02400	1.1
65.00329	2.2
71.01385	9.7
72.99306	2.0
73.02946	1.8
74.99086	4.0
83.01394	2.0
85.02927	2.3
87.00872	1.7
88.98820	2.6
89.02443	6.6
93.03439	1.1
96.96001	5.4
98.95611	3.0
101.02468	5.6
107.01418	3.8
108.02184	9.1
109.02936	5.4
111.00872	6.8
111.04467	1.3
113.02484	3.8
119.03493	2.4
119.05012	2.6
119.27698	1.0
120.99680	1.4
121.02991	2.6
123.00893	2.3
123.04522	4.1
125.02442	4.8
131.03514	1.1
135.00908	1.9
135.04491	1.8
136.01672	2.2
136.99124	2.6
137.02516	1.5
139.04004	1.5
145.02953	3.4
148.01660	1.4
149.02457	1.3
151.00391	12.7
151.04015	3.1
152.01135	3.0
153.01897	1.1
153.05542	1.7
161.02484	1.2
161.04533	2.3
163.00368	2.9
164.01175	1.8
164.04808	1.3
166.99934	1.2
167.03523	2.3
169.01485	1.3
171.10335	1.7
178.99927	6.5
179.03525	1.6
179.05568	1.2
182.02213	2.9
189.09137	1.1
191.03430	1.1
195.02985	2.5
195.79280	1.1
197.04507	5.4
199.04092	1.6
201.11397	1.7
211.13405	12.9
215.03583	1.1
226.02606	1.4
227.03470	3.3
237.09782	2.0
243.02998	11.5
245.04471	1.4
253.09148	1.2
254.02193	2.9
255.02966	30.3
256.03473	1.5
271.02487	60.7
272.03006	3.8
273.04068	1.3
274.28668	1.0
283.02582	1.6
300.02762	100.0
301.03485	38.4
301.08978	1.5
302.04037	2.0
359.09689	2.2
371.24554	3.2
375.27573	1.2
397.13568	6.5
415.14496	2.9
463.08829	66.8
464.09146	4.2
521.14703	1.4
522.15320	1.7
609.12427	49.6
609.25714	4.7
610.12744	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	609.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42612	1.3
59.01385	28.8
68.44067	1.2
70.92977	2.5
71.01393	18.2
72.01684	1.8
72.99336	1.6
76.52042	1.4
83.01402	1.4
83.12269	1.3
84.21568	1.5
84.39896	1.4
85.02947	4.5
85.84974	1.4
89.02451	17.4
90.87274	1.4
95.01418	3.5
95.80596	1.4
96.96027	9.0
101.02457	14.1
107.01398	6.6
109.02967	2.0
111.00895	3.7
113.02456	7.7
119.03527	8.5
121.02994	10.8
123.00887	12.4
123.08247	1.7
125.02467	35.7
126.02844	1.8
137.02512	3.6
139.00378	5.3
139.04005	1.5
140.01149	4.2
151.00386	8.6
153.01964	2.1
165.01878	2.4
167.03616	2.1
167.51465	1.6
168.00674	8.8
169.01433	41.4
170.01947	2.1
171.11771	2.0
177.01988	2.9
189.12859	5.7
209.04521	8.7
211.02481	31.2
226.43149	1.5
233.11867	2.6
241.03465	2.0
271.04611	33.0
272.05072	1.5
277.10822	3.3
300.99902	2.7
305.06781	2.9
331.06781	1.7
457.17160	42.1
458.17453	2.7
521.20062	2.1
565.19263	28.3
566.20093	2.2
591.17114	3.9
609.18317	100.0
610.18890	8.2
610.27362	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79412	0.9
54.93286	0.8
55.07023	0.8
57.03445	1.8
59.01379	14.8
71.01387	16.2
71.27649	1.4
72.99293	1.1
75.00887	6.1
85.02959	16.1
87.00874	8.8
89.02449	7.3
95.01408	3.3
99.00901	4.5
101.02458	1.9
102.94456	0.9
103.00366	1.2
105.01939	1.4
110.29637	1.0
111.00864	1.5
112.01680	1.2
113.02463	21.0
115.00326	1.2
117.01984	1.4
119.03480	1.3
120.99677	1.7
129.01973	1.1
151.41811	0.8
157.01497	1.0
175.02588	1.2
191.05635	7.7
207.05061	1.7
208.52420	0.9
249.06102	1.7
266.93192	1.8
267.07227	100.0
268.07599	3.2
293.95486	0.9
326.94659	1.9
341.10965	4.1
405.03082	0.9
435.56873	1.2
464.99127	0.9
526.64471	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.6
59.01379	1.0
61.98826	2.7
71.04997	0.8
79.01868	0.9
79.95729	0.5
85.06577	0.8
87.04516	0.6
88.98805	1.4
89.02480	0.4
91.33424	0.4
95.05034	2.6
96.96004	7.0
97.02953	1.5
98.18881	0.5
109.06595	1.6
111.04535	2.8
118.89972	0.6
122.97588	1.2
123.08160	2.1
137.02435	0.7
139.04022	6.1
150.06830	0.9
152.99547	0.5
163.07581	0.9
165.01981	1.2
165.09215	19.7
166.09502	0.6
181.08691	0.7
191.07076	1.1
193.00241	0.4
193.08720	0.5
207.06516	0.5
209.08200	100.0
210.08542	4.6
217.12402	0.5
263.12897	10.8
264.13345	0.8
321.29721	0.6
345.15500	0.6
355.95819	0.5
591.26123	1.4
609.29285	21.1
610.20947	0.8
610.29645	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.8
57.03439	3.0
57.13279	0.8
59.01383	27.7
61.98834	9.0
68.58540	0.6
69.09499	0.7
69.33466	0.7
69.66761	0.7
71.01391	7.9
71.05054	1.0
71.28908	0.9
71.29314	0.8
72.99326	1.0
73.02932	2.0
83.05037	1.3
85.02977	1.7
87.00881	3.0
89.02457	3.3
90.82658	0.6
96.96003	1.9
99.04533	1.2
101.02463	4.1
108.02170	0.9
109.02950	1.7
113.02470	2.8
119.03507	1.6
119.08663	1.7
119.79590	0.7
120.99641	5.1
121.06664	1.0
123.04487	0.9
123.08190	1.0
125.02456	2.4
133.10277	1.2
135.08160	3.1
135.11923	0.8
136.05238	1.0
137.02466	2.2
137.09732	14.1
138.06870	3.2
151.07668	2.3
152.08456	2.9
153.01888	1.2
153.09245	8.8
158.40582	0.7
161.04594	1.2
161.09731	4.8
163.07666	7.2
163.11285	0.9
167.07137	2.2
169.01404	1.5
177.02118	1.1
179.10799	5.7
181.08714	9.7
197.11832	1.5
203.93475	0.8
205.12355	8.0
211.13385	1.1
219.76157	0.8
223.09807	3.5
223.13512	1.2
241.10806	0.9
385.18698	1.4
591.28296	1.3
597.65656	1.0
609.29242	100.0
610.29651	12.5
627.46027	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87143	0.7
54.63832	0.7
59.58542	0.7
62.28616	0.8
69.41281	4.9
85.02958	3.5
85.06594	1.9
87.04522	2.0
95.05031	2.5
97.06579	1.3
98.22500	1.5
99.00878	2.9
111.03760	1.2
111.04522	14.0
113.06108	1.3
113.09746	6.3
123.04488	1.2
125.02425	1.3
125.06087	2.9
129.01929	0.9
141.05577	4.6
147.59776	0.7
149.65994	0.7
153.01930	1.2
161.06151	0.9
165.09175	0.8
169.05069	26.4
170.05478	0.9
179.07167	1.5
181.01321	0.7
181.08719	41.3
182.02173	2.0
182.09039	2.1
183.76384	0.7
193.08719	4.9
195.06615	2.8
197.08134	1.2
203.10793	7.2
203.14684	0.7
207.06511	1.6
208.07442	1.7
209.08165	2.9
219.06650	1.9
221.08226	2.2
223.06177	1.7
224.06906	15.1
225.07498	1.2
235.93044	0.8
247.09695	0.9
261.11310	2.0
285.10846	0.7
289.14404	1.5
293.13947	2.0
311.16513	1.0
315.15967	2.4
315.19397	1.2
327.15909	1.3
329.17627	1.8
331.15555	2.6
342.02191	0.8
345.17023	4.7
355.15436	2.1
359.18634	6.2
373.16541	100.0
373.20111	5.3
374.16840	9.3
427.21210	1.8
559.87933	0.9
609.24005	3.6
609.34070	10.3
610.25452	1.0
610.34692	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
71.29694	16.9
74.08619	12.3
88.23578	13.7
90.14365	12.4
111.04565	20.1
166.02721	35.3
181.08720	100.0
204.13121	14.2
205.12384	28.5
208.07408	31.3
222.08986	19.5
261.11340	26.4
269.89630	15.2
282.77585	12.0
289.72635	14.3
304.12769	13.8
333.06686	14.5
359.18710	63.1
373.20230	97.8
374.20816	18.1
427.24948	49.3
449.00693	13.2
485.58466	13.8
517.28192	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	609.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70348	5.4
65.41537	5.8
67.20506	5.0
83.36535	4.6
109.06585	7.9
111.04523	7.8
113.09701	5.8
166.02730	29.6
181.08710	76.8
205.12344	16.4
208.07439	23.7
222.08978	27.4
247.13434	6.1
261.11316	14.4
262.09344	4.8
277.10370	4.9
289.14468	5.1
322.71524	5.9
359.18628	100.0
360.19049	6.7
373.20227	91.1
374.20410	8.3
427.24942	40.8
428.25595	6.2
608.05182	5.4
609.33594	5.2
609.44672	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	609.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.7
61.98831	1.6
65.29705	0.4
70.24509	0.9
70.26101	1.2
89.86168	0.4
93.03481	0.5
96.96023	5.5
97.02946	0.4
98.21886	0.6
109.02970	0.6
111.04541	1.3
113.02549	0.4
121.02990	0.5
123.04567	0.8
125.02451	0.3
132.02203	0.8
133.02972	23.3
134.03702	1.5
135.04552	8.1
137.02466	2.3
139.03987	0.9
145.02972	0.5
161.02460	74.4
162.02803	2.6
165.09265	1.0
178.02710	1.3
179.03523	2.1
181.08771	0.7
183.06703	0.5
193.08890	0.5
208.07275	0.5
209.08252	2.7
221.08186	0.5
225.07607	0.7
235.09793	0.5
237.07761	0.5
251.09227	1.7
283.62396	0.4
359.18707	0.4
371.13446	0.5
429.30389	0.5
447.31299	0.4
473.33234	2.5
549.21625	1.4
591.33124	1.8
609.34320	100.0
610.25134	0.8
610.34662	15.7
610.44629	0.8
625.44263	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3652
Annotation	Agamenoside I:(-)-Agamenoside I
Peak:m/z	Relative Intensity
55.01892	0.9
57.03452	1.0
58.00597	1.9
59.01385	33.3
61.98832	5.3
71.01387	27.8
72.99320	2.0
73.02951	1.5
77.09048	0.7
78.95928	1.2
80.96519	2.6
83.01394	2.0
84.28099	0.6
85.02954	4.2
85.20138	0.7
87.00887	1.4
88.98820	1.3
89.02454	21.3
90.02754	0.7
94.98090	1.0
95.01416	2.2
96.96043	1.0
101.02448	15.5
103.01509	1.2
109.02913	0.9
113.02463	8.7
119.03517	9.5
119.04980	0.8
123.04524	1.2
125.02429	2.0
131.03503	1.4
133.02927	0.9
134.03722	0.9
135.04584	1.0
137.02452	1.6
143.03487	1.1
149.04601	0.9
161.02417	0.8
161.04601	1.8
169.01570	0.9
171.10268	0.9
177.09261	1.0
179.05624	3.0
179.07092	1.2
183.06621	1.3
183.10307	1.0
193.05089	2.3
194.05490	1.2
195.06647	1.2
209.08203	1.0
209.11745	1.0
211.13364	3.6
225.00839	1.0
243.12352	1.3
265.85690	0.8
299.11465	1.4
313.06738	0.6
327.21896	4.3
355.24805	0.7
373.98593	0.7
397.13589	1.1
415.14737	0.9
417.30078	7.4
418.30383	1.2
429.29980	1.9
447.31076	4.1
526.07141	0.6
573.29279	0.9
609.26880	5.4
609.36414	100.0
610.26709	1.3
610.36560	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	610.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	29.2
61.98843	85.9
64.40690	19.7
69.02444	100.0
69.02858	38.1
70.55103	18.1
82.33408	17.5
91.09956	16.2
98.21819	47.6
125.02420	32.9
134.57877	16.5
151.18733	17.4
196.07385	33.5
211.09808	90.9
287.55988	19.5
299.98898	28.3
405.19318	41.4
410.41812	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	611.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27308	0.7
59.01371	2.8
61.98837	1.7
71.01362	0.8
72.99313	0.8
83.01429	0.6
90.09085	0.7
93.03461	3.2
96.96025	4.9
105.01914	1.8
109.02943	0.9
120.99609	0.9
123.00968	0.9
123.04534	1.3
125.02450	3.1
126.90406	0.9
130.00645	0.9
137.02463	4.2
137.09657	0.6
150.03233	1.3
151.00340	1.2
151.04008	1.0
167.03519	0.9
169.01408	1.7
177.15442	0.7
181.05107	1.3
191.01865	0.8
197.99599	1.3
203.03436	1.6
210.06517	0.7
218.05838	1.7
228.74786	0.7
233.08209	2.6
241.98445	1.1
242.02243	0.8
242.99387	1.6
254.99364	1.6
257.00882	1.6
258.01706	1.3
269.98087	25.3
270.01071	1.3
270.98849	20.0
271.99054	1.3
282.98795	1.2
283.99655	3.3
285.00449	16.5
285.03284	0.6
286.01132	3.7
289.07068	0.8
297.97577	46.2
298.95663	0.6
298.98340	37.4
299.98959	6.2
312.99939	78.4
314.00677	40.3
314.04477	1.0
315.01328	4.3
328.02286	20.0
329.03018	6.0
432.18945	0.8
504.28925	0.9
523.16333	2.0
596.08716	1.5
611.10431	100.0
611.26868	2.7
612.10815	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.141
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09729	0.8
59.01381	5.9
60.15121	0.8
60.99306	1.1
61.98819	3.1
65.00313	0.9
71.01402	3.6
73.02944	1.5
77.03990	1.8
79.01886	1.5
85.02956	1.3
87.00882	3.5
88.98821	9.3
89.02451	1.6
92.56947	0.8
93.03464	2.2
97.02988	1.6
101.02458	2.3
103.51814	0.8
107.30057	0.7
108.02184	2.1
109.02962	5.1
111.00912	1.0
112.13291	0.9
117.72078	0.8
119.05059	0.9
121.02991	5.6
123.04536	3.1
124.01700	0.9
125.02444	2.4
130.98495	0.8
132.02167	1.3
133.02950	0.8
135.04538	3.1
136.01657	1.6
137.02444	5.5
139.11342	1.0
139.99384	1.1
141.00212	0.9
146.85234	0.8
149.02466	4.3
152.01173	2.3
153.01949	6.0
153.05643	1.0
158.31236	1.0
161.04564	0.8
163.04007	1.0
165.01936	4.9
165.05586	1.1
167.03522	4.9
168.99660	1.8
169.01401	0.7
169.06616	0.9
175.03987	1.0
177.01942	2.5
179.07225	1.7
183.02911	0.8
183.10283	1.5
195.02975	0.9
197.06183	1.7
199.07648	0.9
203.07079	1.0
208.03648	1.0
222.92870	0.8
223.06107	2.0
225.05624	2.7
225.11340	1.3
227.03572	0.8
227.07040	1.7
227.09265	0.8
241.05084	40.4
242.05446	2.5
243.06712	2.1
243.12328	2.3
249.06094	2.8
253.05206	1.2
255.03050	3.9
269.04559	74.2
270.05182	9.1
271.06088	2.6
289.07053	1.1
297.04016	3.1
297.06662	1.4
298.04834	94.8
299.05563	40.2
300.05936	2.0
312.06363	1.1
313.07114	3.4
313.10330	1.0
361.11148	15.0
361.15375	1.0
362.11230	1.0
443.09943	1.1
461.10986	1.6
523.14490	1.0
567.38849	0.9
593.23218	0.9
601.74823	0.9
611.14038	100.0
611.30157	3.7
612.14447	14.7
612.30603	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64178	0.6
52.48114	0.6
57.03434	0.8
59.01384	7.8
60.60401	0.7
61.98825	2.9
69.23803	2.4
69.24223	1.7
71.01387	3.8
72.40999	0.6
79.69524	0.7
83.01385	1.1
84.95127	1.0
85.02930	0.8
87.12411	0.6
88.98820	2.5
89.02460	3.6
89.32669	0.7
95.01376	1.0
96.96026	0.8
101.02470	2.0
108.02181	0.7
109.02952	1.9
113.02441	2.1
116.92888	1.1
119.03502	2.1
121.02961	14.2
123.04505	0.9
125.02473	6.0
134.03760	0.7
135.04510	1.4
135.11778	0.7
137.02420	1.7
137.09706	0.9
143.04991	0.8
149.02437	2.1
150.03230	0.8
151.00395	1.2
151.03970	1.1
153.01956	4.9
157.06595	1.0
159.04517	11.6
161.02449	1.0
161.04608	0.7
164.04814	2.5
167.03484	0.7
169.01427	2.1
172.05289	1.0
173.06076	2.1
175.00432	4.8
175.07649	3.9
177.05545	0.7
181.06599	1.0
183.04497	1.0
184.80791	0.6
185.06126	0.8
190.02713	9.1
191.03452	5.3
199.07692	2.8
201.05576	11.5
205.05072	11.7
221.06700	0.8
223.06079	2.3
225.05518	2.2
225.11455	1.1
241.04913	0.9
243.06622	100.0
244.06996	5.5
262.29272	0.6
297.07751	2.0
300.99969	0.8
323.09811	4.0
367.10352	22.9
368.10788	1.0
387.16733	1.4
387.40787	0.7
405.12109	0.7
445.13364	1.6
611.16541	4.4
611.27002	7.5
612.26776	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.6
60.99036	1.2
60.99313	14.7
66.93374	1.2
71.01363	1.2
71.15411	1.1
74.19299	1.2
88.98813	87.0
95.01384	1.7
107.01389	3.9
111.00884	2.1
123.00890	3.9
124.01711	2.0
125.02466	20.3
135.04567	1.6
136.58823	1.3
136.98717	1.3
137.09691	1.3
139.00349	2.8
140.01117	2.7
151.00383	3.0
167.03528	2.0
168.00647	9.5
169.01439	29.3
170.01677	1.2
195.06306	1.2
211.02486	50.8
212.02811	1.3
241.03421	2.4
271.04611	100.0
272.04938	5.3
331.06735	28.1
366.07205	1.4
381.15030	1.3
521.20337	55.1
522.20581	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	611.2124
Annotation	C11830
Peak:m/z	Relative Intensity
59.01375	3.6
60.59473	0.6
68.48465	0.7
69.31993	4.4
71.88954	0.7
83.01392	10.4
85.02953	5.1
85.94820	0.7
87.04514	4.2
95.05022	3.6
108.02209	0.7
109.02995	2.4
109.06600	1.6
111.00868	3.5
111.04525	28.6
111.08195	1.0
113.02451	2.7
113.06104	1.8
113.09749	2.4
123.04502	0.8
124.01680	1.0
125.02516	2.3
125.09738	1.7
125.67099	0.6
135.04558	2.4
135.08141	0.9
137.02448	1.1
137.06160	0.8
139.04018	12.6
139.07640	0.7
151.07660	2.3
153.01913	1.3
155.07193	2.7
163.07689	1.1
165.05542	0.8
165.09258	1.0
167.03525	4.3
167.07124	0.8
177.05702	0.8
178.99890	0.8
179.07133	6.1
181.05182	1.5
181.08719	14.8
181.10284	1.1
183.06638	20.1
184.06982	0.7
191.03517	0.9
194.05690	0.6
195.06516	3.2
205.05074	3.1
206.05780	1.3
207.03107	1.0
207.06596	8.6
207.13966	1.6
209.08203	2.0
219.06798	0.8
221.08141	0.9
223.06120	26.2
224.06610	1.9
225.07693	5.7
230.09575	1.0
245.11858	1.6
246.08907	1.1
247.06049	1.1
247.09955	1.0
261.11365	0.9
271.09833	1.1
273.11334	1.9
289.10843	2.0
297.11285	1.2
325.10828	1.2
331.15463	0.9
355.15356	1.5
357.13553	1.1
359.15094	3.0
368.12738	2.7
369.13452	1.6
375.14636	1.5
375.18204	22.8
376.18573	1.4
383.15039	2.8
387.14532	2.2
401.16077	1.1
403.13931	1.1
427.13925	2.1
435.14084	1.0
455.23975	0.8
535.19690	2.0
579.18878	1.5
593.19952	1.2
596.19019	1.0
611.21387	100.0
612.21704	16.1
612.31238	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.7
59.01371	1.7
61.98816	1.1
69.00674	4.0
69.01080	0.9
78.40491	0.6
83.01389	7.0
85.02953	4.5
87.04517	2.7
94.77257	0.5
95.05005	3.3
97.02985	0.6
98.57711	0.6
100.99212	0.7
109.02935	1.9
109.06602	0.9
111.00861	2.0
111.04523	25.2
111.08193	1.1
113.02429	2.2
113.06100	1.7
113.09716	2.2
116.92864	1.1
119.08656	0.8
125.09634	0.8
135.04489	0.9
135.08163	0.8
137.02388	0.7
139.04012	2.0
139.07629	1.1
151.07664	1.4
152.01193	0.8
153.02052	0.9
155.07146	1.5
163.07683	0.8
165.05582	0.9
165.09145	0.9
166.06461	0.6
167.07095	1.0
177.05551	0.7
179.07173	6.8
181.05098	1.2
181.08710	18.5
182.09061	1.2
183.06619	20.5
184.06956	1.0
194.05840	0.8
195.06570	3.7
205.05069	2.3
206.05771	1.1
207.03070	1.4
207.06633	7.3
209.08153	2.2
221.08255	1.0
223.06122	26.9
224.06573	2.0
225.07741	4.5
229.12292	0.8
235.06039	0.7
245.11781	1.1
247.06067	1.1
247.09674	1.2
261.07706	0.9
289.10797	1.7
297.07510	1.1
297.11102	0.9
325.10742	0.7
329.10178	0.9
331.15649	1.0
340.13025	1.0
340.49097	0.6
341.10110	1.0
341.13934	1.7
355.15475	2.4
357.09460	0.8
357.13535	1.4
359.15112	2.4
368.12631	3.6
369.13379	1.0
375.14359	1.4
375.18262	10.7
383.15036	2.8
385.12851	1.1
387.14548	1.5
401.16080	1.5
403.14398	0.7
427.13770	3.9
529.30200	1.5
535.19855	2.9
536.51306	0.7
549.20935	0.9
567.22443	0.8
579.19061	1.5
593.20581	0.9
611.21338	100.0
611.31189	5.6
612.21637	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	611.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.1
58.99607	16.7
59.01383	63.5
61.98835	2.7
68.99166	9.5
71.01389	15.7
72.99306	1.6
73.02948	4.9
83.01389	2.1
85.02968	5.9
87.00880	9.7
89.02459	5.2
95.05029	1.3
101.02450	7.8
102.98608	72.0
108.02202	1.5
109.06640	1.3
113.02455	5.7
119.03507	1.3
123.04535	1.4
125.02420	2.5
127.07656	1.1
139.07704	1.1
139.11308	19.6
139.35130	1.0
151.11292	1.4
153.09236	2.1
159.03067	1.5
161.04581	4.4
163.11285	1.9
164.04752	1.9
165.09201	2.0
167.41948	1.0
169.12357	2.8
171.07043	0.9
175.11334	1.2
179.07178	2.1
179.10789	3.5
181.12344	10.7
183.08643	1.8
183.10272	32.9
195.13914	1.4
197.11967	2.9
199.13428	3.5
223.13474	1.3
225.11346	18.7
243.12370	34.8
244.12685	1.2
249.06166	4.7
267.12555	1.4
283.04938	72.9
284.05377	3.3
285.13495	12.8
315.14581	3.1
345.15610	15.3
405.17661	19.1
421.48511	0.9
467.33212	1.0
592.90033	1.3
593.29474	4.0
600.82715	1.0
611.30798	100.0
612.31250	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	611.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29488	1.3
59.01382	25.6
69.02496	7.5
69.02911	4.0
71.01366	3.4
74.99096	2.4
87.00877	1.9
88.98788	1.7
89.02440	1.4
95.01421	2.0
96.96037	1.4
99.92573	1.4
101.02446	1.8
108.02180	2.2
109.02959	3.8
111.00881	2.2
120.99653	6.6
121.02985	1.6
123.00863	1.6
123.04517	3.9
124.01652	2.9
125.02477	4.0
126.90417	2.0
135.04483	1.8
136.01674	42.2
136.99124	3.3
137.02449	4.5
138.03221	2.8
139.04037	3.9
146.03683	1.5
151.00372	3.5
151.04013	89.3
152.04317	2.4
153.05525	1.3
157.18660	1.5
161.06009	2.0
164.04733	2.8
165.01895	2.4
165.05592	2.7
166.02707	8.4
167.03481	1.9
169.01395	3.1
173.06161	1.7
176.04822	3.0
177.05574	5.3
179.03517	2.9
179.07042	1.6
181.05106	9.0
189.05602	4.4
191.07182	4.4
192.07898	5.9
193.05002	1.9
194.05843	1.7
195.06639	6.4
206.09404	2.3
207.10295	1.6
213.07663	2.9
253.10788	7.8
268.07550	1.8
287.18707	2.7
296.06921	5.2
311.09366	10.1
326.11636	19.6
327.12201	2.2
341.13919	15.1
345.08273	1.4
350.50754	1.5
359.15018	100.0
360.10733	2.3
360.15326	8.7
361.11078	6.4
371.14722	2.4
389.16064	69.4
390.16162	6.7
413.14673	1.8
431.08951	2.4
523.16669	6.8
611.16931	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	611.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01726	0.5
61.98824	0.9
68.35171	0.5
69.05023	3.8
78.46630	0.4
84.02378	0.4
96.96040	0.8
98.21712	0.9
105.03081	0.5
107.01376	0.6
109.02949	0.8
118.91936	0.5
120.99693	2.2
123.00904	0.8
123.04556	0.8
125.02480	4.4
137.02483	0.5
141.90311	0.5
151.00421	0.9
151.04129	0.9
161.04596	1.0
165.01945	0.7
167.03601	1.4
169.01483	1.9
198.46915	0.5
211.02405	1.0
212.72025	0.5
270.08929	0.7
271.04636	0.9
282.09183	0.7
285.11566	1.3
289.07544	0.7
297.11395	1.5
300.99783	2.3
309.11490	1.8
311.05453	0.5
314.08249	0.9
320.71628	0.5
329.10406	2.7
341.10269	3.1
344.12601	4.5
356.12970	1.5
359.15012	16.8
360.15442	1.0
371.14996	9.8
372.15616	0.8
373.08130	1.6
475.10889	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	611.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75126	0.4
55.55077	0.4
59.01369	0.5
60.63500	0.4
61.09416	0.4
61.98822	1.4
64.48164	0.4
64.74596	0.4
82.89462	0.4
99.92592	5.2
100.93392	3.1
105.64848	0.4
115.92085	100.0
116.92091	3.7
116.92872	9.9
117.92828	0.4
125.09736	1.1
127.52870	0.4
130.71169	0.5
132.92349	1.3
173.11833	0.6
186.57256	0.5
187.09705	0.6
360.09100	0.5
445.64285	0.5
511.34338	1.2
513.34985	0.6
611.26837	29.9
611.41132	2.8
612.27197	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2712
Annotation	Taxayuntin J
Peak:m/z	Relative Intensity
52.64982	0.7
55.01895	1.0
55.44824	0.7
57.03442	1.8
59.01380	55.4
61.98848	0.9
65.78954	0.6
68.99831	0.7
71.01388	12.9
72.99278	1.0
73.02943	1.2
77.84776	0.6
82.79886	0.7
83.01398	1.4
83.05039	1.1
85.02969	2.4
87.00874	3.4
89.02451	6.7
95.01387	1.2
96.40588	1.0
96.96007	1.3
99.04567	1.5
101.02445	6.9
107.01427	0.8
109.02976	1.2
109.06617	1.5
113.02449	3.8
116.92849	0.7
119.03509	3.3
119.08657	1.7
121.02977	2.3
125.02451	3.5
135.04544	1.0
135.08191	1.1
137.09732	7.9
151.00406	1.7
151.03975	0.7
153.01942	7.0
159.04564	1.5
161.09724	2.1
163.07631	3.6
163.11301	6.8
169.01440	1.4
175.07698	0.9
179.10680	3.7
181.08723	3.5
190.02679	1.7
191.03493	2.6
197.11852	3.5
199.78899	0.7
201.05632	2.1
205.05067	1.9
207.10321	8.2
223.09755	1.8
225.11284	1.4
241.10913	2.2
243.06621	15.7
244.06964	1.7
283.11960	1.1
297.07498	0.7
314.00693	1.1
328.07791	0.8
367.10278	2.9
369.15594	2.1
387.16638	24.9
388.16730	1.7
459.13379	0.8
549.27167	4.5
550.27673	1.0
551.24957	6.3
593.26202	2.6
611.27100	100.0
612.27509	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	611.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	3.2
59.01383	100.0
60.01684	1.8
61.98825	8.2
71.01391	16.1
73.02947	7.5
83.01394	2.6
85.02963	5.8
87.00861	2.9
88.98833	4.3
89.02435	5.5
93.03463	13.7
97.06592	2.0
98.22606	4.1
101.02458	12.3
106.45294	1.6
107.05047	2.0
108.02175	3.2
109.02947	4.8
113.02451	7.1
119.03463	2.3
120.99671	2.4
121.02955	3.1
123.04599	3.3
124.01675	1.8
125.02463	5.2
127.74422	1.9
128.17555	1.7
137.02461	20.2
137.05998	1.8
137.09650	1.7
139.11304	30.7
140.11649	2.0
149.02429	2.3
151.00433	3.0
151.03998	4.7
161.04530	3.8
163.04071	2.9
163.11284	2.3
164.04771	9.0
167.10675	2.1
169.12271	2.4
179.07140	5.9
181.12357	20.0
183.10272	46.4
184.10538	2.8
199.13333	7.7
225.11342	21.2
242.02142	8.6
243.02985	5.5
243.12383	83.0
244.12727	2.9
249.06226	2.5
255.02982	3.1
269.04565	3.6
270.01776	10.8
271.02396	10.2
281.06720	11.6
284.03268	2.9
285.04080	22.1
285.13464	28.3
289.07129	3.0
298.01221	3.4
298.04767	2.1
299.02094	32.2
299.05573	6.1
300.02521	3.0
313.03583	39.7
314.04318	59.3
315.04745	5.0
315.14493	6.3
320.15942	2.2
327.12326	3.4
328.05936	8.1
329.06671	48.4
330.07086	3.4
345.15622	41.9
361.11160	4.0
389.16028	5.1
405.17703	33.2
523.16302	2.5
551.21350	2.3
567.28253	4.4
593.29919	10.6
611.14240	85.9
611.30646	95.2
612.14783	16.2
612.30988	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	611.308
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32085	0.7
57.03445	2.3
59.01385	42.9
61.98821	2.3
68.42580	0.7
68.53872	0.7
69.03458	0.6
71.01383	4.7
73.02942	2.1
80.17600	0.6
81.03455	1.0
83.05030	0.8
84.44800	0.7
85.02952	1.3
87.04547	0.8
89.02448	1.1
93.03450	0.8
94.23045	0.7
96.96004	1.1
101.02451	1.9
109.06624	0.7
116.92891	1.0
123.04536	3.1
125.02475	3.2
136.05333	1.0
137.02425	2.0
138.06879	2.1
139.11307	24.6
150.89661	0.7
151.07683	1.6
152.08501	1.7
153.09244	5.8
161.09845	0.9
162.03209	1.1
163.11287	2.2
165.09247	1.1
167.03522	0.9
169.12363	1.7
175.03993	0.7
177.05551	1.4
179.10829	1.4
181.12328	8.1
183.10278	30.3
184.10706	1.0
195.13925	1.0
197.11792	0.8
199.13452	1.9
205.12387	5.4
223.13632	0.8
225.11342	9.8
243.06630	1.3
243.12379	18.0
244.12666	1.1
271.10065	0.7
285.13391	5.6
345.15509	8.1
346.15994	0.9
405.17673	10.5
551.29346	1.2
593.29657	3.6
593.37872	0.8
611.30774	100.0
612.31006	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	611.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.9
66.03152	0.4
71.05009	0.8
79.01925	0.5
81.18525	0.4
83.05042	3.7
83.85779	0.4
85.06590	1.1
87.04517	1.2
95.05035	0.9
97.02914	0.5
101.54840	0.4
107.05065	0.7
109.02985	0.4
109.06590	1.9
111.04527	5.0
113.09731	6.4
123.08161	1.8
125.06056	0.4
135.04561	0.4
135.08142	0.8
137.02435	1.0
138.03226	1.9
139.04028	3.6
140.61205	0.4
147.08104	0.7
151.07672	1.0
153.05739	0.5
153.09172	0.7
163.07581	0.4
163.11305	0.6
165.01958	3.2
165.09219	3.6
166.02716	10.6
166.06374	0.9
167.03000	0.5
179.07217	0.6
180.07814	0.4
181.08717	34.3
182.09010	1.8
185.64273	0.3
191.07101	0.6
191.10927	0.6
193.04955	0.6
193.08699	0.8
195.06598	1.9
201.12796	0.4
207.06616	4.7
207.09940	0.6
208.07408	32.2
209.08167	8.8
210.08437	0.6
219.06638	2.3
221.08183	1.5
221.11809	0.6
222.08870	0.7
247.09763	11.4
248.10031	0.5
249.11287	0.9
261.11353	2.3
262.12119	1.5
263.12927	1.2
268.60751	0.4
273.11328	1.6
284.16159	0.5
287.12936	0.9
305.13950	1.7
351.12595	0.4
357.17014	1.1
361.16449	0.6
375.18152	100.0
376.18475	8.0
429.22824	17.8
429.28674	0.9
430.23221	1.4
482.92291	0.4
611.32397	3.9
612.32214	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3566
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	8.1
61.98836	1.8
63.35574	0.9
80.91696	1.0
81.03479	1.0
94.83734	0.8
95.46111	0.8
96.96036	1.0
97.02953	1.3
102.35825	0.8
115.92123	0.8
116.92886	4.1
117.92838	0.9
125.09773	1.2
127.87206	0.8
136.79698	0.9
146.85446	1.0
161.02454	0.8
178.43533	0.8
218.95943	1.0
339.06992	0.9
366.83633	1.1
439.32245	1.5
469.33356	7.7
470.33386	1.3
529.35370	100.0
530.35663	15.4
611.35724	62.0
612.36121	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	611.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.5
59.80134	1.1
64.63226	1.2
67.82160	1.1
68.99371	1.1
69.48983	1.1
70.42990	1.0
109.06582	2.0
111.04530	2.1
113.09737	14.8
123.08122	2.4
125.06106	2.2
138.03214	6.0
165.01917	4.8
165.09233	2.8
166.02722	39.0
166.06390	1.4
177.12773	1.1
181.08720	81.6
182.09044	3.5
183.58521	1.0
194.04361	1.1
197.88501	1.2
204.94522	1.2
205.05077	1.4
205.08614	1.5
207.06615	6.4
208.07410	42.8
209.07855	3.3
221.08224	3.4
222.09007	38.6
223.09578	2.0
233.08263	2.9
247.09802	8.8
261.11298	15.1
275.12903	1.7
276.13699	2.4
281.06519	1.2
291.16144	3.3
325.76831	1.3
331.22845	1.9
343.18906	2.8
357.20535	1.8
361.20218	100.0
362.20642	9.3
375.21796	99.9
376.22137	6.9
385.27457	2.0
429.26501	29.3
430.26917	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	611.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
60.78465	1.8
69.13932	13.7
98.21813	4.0
111.50994	1.8
113.09723	10.0
123.08167	2.3
125.06098	2.6
138.03221	7.5
165.01964	4.8
166.02733	33.6
181.08717	58.1
182.09035	3.1
207.06673	3.6
208.07414	22.5
221.08086	2.9
222.08971	34.6
233.08109	2.3
237.72690	1.8
247.09702	3.5
261.11322	16.5
270.25983	1.7
291.15930	2.3
357.20575	1.8
361.20248	57.2
362.20770	4.7
375.21768	100.0
376.22134	10.3
429.26431	38.8
430.26648	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	611.4086
Annotation	Unknow
Peak:m/z	Relative Intensity
64.46296	12.6
65.80777	13.5
69.32630	100.0
77.16476	15.3
83.02133	16.6
113.49385	14.6
115.74187	17.8
140.89307	17.6
159.47220	15.4
227.49229	19.7
236.04657	16.3
326.01968	20.0
361.59183	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	611.4087
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55957	6.3
69.76097	5.8
70.47841	10.4
70.48188	9.5
74.83222	6.4
76.47172	6.1
101.61375	5.6
131.64291	5.6
160.81564	6.8
166.02704	18.7
166.06129	5.3
176.33797	7.2
181.08727	45.9
202.15965	6.5
208.07372	29.0
222.08911	14.4
237.46609	6.1
253.17157	6.0
331.22971	6.9
361.20224	43.0
375.21713	100.0
376.22058	11.5
417.87204	6.1
429.26514	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	611.4896
Annotation	Unknow
Peak:m/z	Relative Intensity
61.08974	0.5
69.29755	3.5
82.00240	0.5
83.23071	0.5
111.12716	0.5
116.92889	1.3
119.73763	0.6
125.09772	2.8
127.11311	5.9
143.10788	1.6
155.10776	2.0
157.12358	2.3
171.10268	2.1
187.13469	0.6
215.91260	0.6
251.23969	0.9
288.24243	0.6
295.22827	2.6
297.24365	63.6
298.24789	4.5
313.23865	9.7
314.24640	0.6
329.23309	3.3
331.24915	52.4
332.25116	3.1
335.02252	0.6
453.33676	0.8
611.48981	100.0
612.49274	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44944	0.9
55.22994	0.8
59.01365	3.9
69.08141	0.8
71.01377	6.6
71.29585	1.3
71.29964	1.2
72.99313	1.0
73.02940	1.1
78.20332	0.8
79.01882	1.8
81.34371	0.8
83.01339	0.9
85.02930	2.0
85.46129	0.8
87.12796	1.0
88.98807	3.2
95.01396	2.3
97.02946	1.6
100.86307	0.9
101.02438	1.8
107.01397	8.4
108.16550	1.1
109.02975	1.7
111.00887	2.1
111.04466	1.7
113.02434	2.9
120.99676	1.3
121.02972	1.8
123.00873	11.3
124.01666	1.5
125.02452	59.3
126.02776	1.8
137.02438	1.8
139.00366	3.4
139.04015	6.4
140.01147	2.7
149.02357	1.6
151.00392	10.6
151.04045	1.1
165.01938	4.2
165.09242	1.9
167.03435	1.4
168.00627	3.1
169.01430	78.3
170.01770	2.3
177.01906	2.2
179.03520	1.6
181.01373	1.3
209.08244	6.9
211.02472	2.8
241.03076	2.3
241.05424	7.9
243.06653	1.2
249.18175	0.9
255.02988	1.6
269.04538	13.6
270.05200	2.2
298.04810	25.7
299.05566	20.7
300.06015	1.1
313.05655	25.1
314.04111	2.5
315.05298	1.3
341.06506	2.1
410.12018	1.1
443.73450	1.1
451.09723	1.1
461.10867	3.8
477.09784	1.2
523.14514	17.4
524.14966	2.8
613.11957	100.0
614.12225	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	613.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12064	0.3
59.01357	0.4
61.98789	0.4
63.02404	0.4
65.00315	1.6
69.24313	2.5
71.01349	0.7
77.88462	0.4
83.01371	1.1
98.22559	0.7
107.01405	2.7
108.02186	1.5
109.02930	1.8
121.02960	1.6
125.02446	1.1
135.00890	0.9
146.05746	0.4
148.01750	1.9
151.00383	10.7
153.01935	2.5
163.00417	2.7
164.01117	1.4
167.03481	0.6
169.01385	1.2
178.99881	5.0
190.99934	0.8
192.00591	0.7
199.03973	1.4
203.03490	0.9
211.04005	1.2
215.03534	1.1
216.04254	0.8
219.04819	0.4
226.02718	1.7
227.03575	3.6
228.04149	0.6
243.02985	12.3
244.03477	1.2
245.04478	0.8
254.02184	2.2
255.02995	29.0
256.03400	2.0
257.04395	0.5
271.02493	64.5
272.03043	6.5
273.04001	1.0
283.02548	0.6
297.06244	1.1
299.02103	2.4
300.02771	100.0
301.03485	34.7
302.03973	1.4
314.04440	0.8
315.05042	2.0
343.04648	1.0
445.07764	0.8
463.08838	13.2
464.09125	1.5
477.10333	0.6
573.92261	0.5
613.12006	61.1
614.12250	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	613.1425
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61576	1.7
58.95627	1.6
59.01377	5.2
60.99310	4.6
61.98830	2.8
69.09141	7.1
69.09560	7.3
71.01383	8.1
71.05024	2.1
79.01943	1.7
82.04625	1.7
85.02953	2.1
88.98814	18.6
93.03486	1.7
95.05083	2.9
96.76842	1.6
97.02939	4.4
101.02472	3.0
107.01380	8.1
108.02195	1.6
109.02989	1.6
111.04545	3.5
111.74269	1.6
113.02498	2.0
118.58378	1.7
120.99688	3.3
121.03003	1.7
123.00912	7.7
123.04489	2.2
124.01734	1.9
125.02456	51.4
126.02811	2.2
137.02457	3.1
139.00404	2.8
139.04016	19.4
147.48764	1.8
149.02319	1.7
151.00362	7.9
151.04126	1.8
153.01945	2.2
161.02461	2.0
165.01918	2.9
165.09200	10.7
168.00674	5.9
169.01443	80.2
170.01785	3.8
180.99686	6.7
191.07233	2.2
195.01192	4.7
195.06694	1.9
196.01996	11.5
209.08191	32.8
210.08684	1.9
211.02489	6.2
211.04391	8.6
241.03279	2.2
269.04620	5.5
271.04651	5.2
284.06735	2.8
285.04242	2.4
298.04880	9.8
299.05627	6.8
313.05643	33.9
314.04144	4.5
358.07465	2.3
373.09619	5.3
451.14871	1.9
453.10526	6.4
461.11417	2.8
523.14594	100.0
524.14996	12.2
525.10754	14.2
525.17926	3.3
560.16522	1.7
613.11957	45.4
613.23981	2.6
614.12170	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	613.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25550	0.8
57.48864	0.8
59.01378	4.5
61.98836	1.0
69.06310	5.9
71.01393	3.3
73.02956	1.0
81.03429	0.7
85.02940	2.1
89.02425	0.7
90.49140	0.9
93.03451	1.5
98.22604	0.8
101.02447	2.5
108.02184	42.2
109.02976	22.1
113.02440	1.8
119.05049	0.9
121.02956	3.0
122.03819	0.8
123.04523	2.0
125.02450	1.6
133.02898	1.0
134.03764	1.7
135.04518	3.1
137.02432	1.5
145.02956	1.6
147.04572	0.8
149.06033	1.2
151.03987	1.9
152.01167	36.3
153.01968	11.3
153.05511	1.4
154.92696	0.7
160.05295	1.0
161.02422	1.7
165.01945	0.8
165.05568	1.2
166.02663	0.7
169.01442	0.9
179.03481	0.9
183.10316	0.9
209.06021	1.0
215.39845	0.7
217.99123	0.6
225.11407	0.7
227.07246	0.9
237.05594	1.9
238.06400	2.4
239.07039	1.8
240.04207	0.8
241.05043	2.2
243.12614	0.9
254.05888	3.3
255.06650	10.9
256.07416	7.0
257.07596	0.8
270.08929	1.2
271.09778	8.7
282.05304	0.9
283.05893	1.1
285.04034	1.1
297.07968	0.9
300.06381	4.4
301.07208	1.8
313.05334	0.9
315.09000	20.1
459.13010	5.5
569.16644	16.4
570.17108	2.0
613.15619	100.0
613.31903	2.6
614.15948	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	613.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	36.0
61.98811	1.5
65.69093	1.3
71.01391	4.7
73.02982	1.8
81.28473	1.3
83.01373	1.6
85.02938	3.7
98.21802	3.6
101.02456	3.0
103.75760	1.4
108.02184	38.8
108.02940	2.3
109.02959	18.9
113.02456	3.4
121.02964	4.3
123.04544	16.9
133.02971	2.9
134.03737	4.6
135.04533	5.0
139.00325	1.6
139.11302	13.6
145.02907	1.6
152.01157	38.2
153.01996	8.1
153.05577	10.0
161.02440	3.3
163.11325	5.0
179.03427	1.7
181.12367	5.3
183.10286	21.3
225.11392	9.0
228.77322	2.0
237.05533	3.8
238.06210	1.9
239.07121	3.1
241.05034	3.0
243.12389	3.4
253.04918	1.7
254.05589	1.6
255.06606	11.2
256.07498	9.2
271.09744	9.6
300.06403	3.0
308.06351	1.8
315.08932	21.0
433.10941	3.6
459.12958	10.2
569.16656	15.7
570.16803	2.4
613.15839	100.0
613.31885	61.0
614.15845	15.0
614.31775	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	613.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.0
59.01384	24.4
60.99312	1.5
61.98834	4.2
71.01383	10.3
71.28534	1.4
73.02946	1.0
83.01405	2.2
83.81542	0.9
85.02968	2.0
87.00907	1.9
88.98808	6.0
89.02438	7.4
93.03488	1.0
95.01439	1.0
96.96030	0.9
101.02468	5.1
107.05052	2.0
108.02211	3.1
109.02958	8.4
113.02515	3.0
119.03559	2.8
120.02212	3.1
121.02981	7.6
122.03825	0.9
123.04544	14.3
124.04900	0.9
125.02478	2.1
131.03503	1.0
133.03032	1.5
134.03769	6.6
135.03659	0.9
135.04527	5.3
136.01653	1.0
137.02505	2.3
137.06172	1.1
138.03244	7.8
138.65079	1.0
139.04060	2.0
139.11304	5.0
145.02983	3.1
147.04520	1.3
149.02553	1.1
149.06120	3.6
150.03224	0.9
151.03947	1.4
152.01140	1.3
153.01968	3.0
153.05588	32.5
154.05984	1.2
155.10924	1.0
158.38312	0.9
159.04549	1.0
161.02504	1.1
161.04602	1.8
165.02007	1.6
167.03542	1.2
177.01962	2.0
179.03557	1.6
179.05692	1.0
181.12431	2.4
183.10292	5.9
192.04510	2.3
199.13480	1.3
209.06258	1.5
211.07809	1.1
212.04897	1.0
225.05838	1.1
225.11392	2.7
227.07121	1.8
232.15155	0.9
237.05666	4.0
238.06448	4.5
239.03564	1.2
239.07161	4.3
240.04294	1.3
241.05119	7.7
242.05574	1.7
243.12384	14.9
243.14618	1.3
253.05188	1.9
254.05881	6.4
255.06659	16.1
256.07428	15.3
257.08075	1.5
269.04730	2.8
269.08325	1.2
270.05029	3.2
270.09061	2.4
271.05258	2.5
271.09781	19.3
272.10358	1.2
283.06158	1.9
285.13434	5.0
297.07788	2.1
298.04919	3.1
299.05322	6.4
300.06302	11.6
301.06985	1.9
315.08768	41.0
315.14688	1.8
316.09293	3.2
345.15506	6.7
357.09991	1.9
405.18027	3.3
417.72141	1.0
431.10110	1.0
459.13010	29.4
460.13370	4.5
473.14597	2.1
598.16986	1.2
613.19537	100.0
613.39563	7.4
614.19763	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	613.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.0
59.01384	24.4
60.99312	1.5
61.98834	4.2
71.01383	10.3
71.28534	1.4
73.02946	1.0
83.01405	2.2
83.81542	0.9
85.02968	2.0
87.00907	1.9
88.98808	6.0
89.02438	7.4
93.03488	1.0
95.01439	1.0
96.96030	0.9
101.02468	5.1
107.05052	2.0
108.02211	3.1
109.02958	8.4
113.02515	3.0
119.03559	2.8
120.02212	3.1
121.02981	7.6
122.03825	0.9
123.04544	14.3
124.04900	0.9
125.02478	2.1
131.03503	1.0
133.03032	1.5
134.03769	6.6
135.03659	0.9
135.04527	5.3
136.01653	1.0
137.02505	2.3
137.06172	1.1
138.03244	7.8
138.65079	1.0
139.04060	2.0
139.11304	5.0
145.02983	3.1
147.04520	1.3
149.02553	1.1
149.06120	3.6
150.03224	0.9
151.03947	1.4
152.01140	1.3
153.01968	3.0
153.05588	32.5
154.05984	1.2
155.10924	1.0
158.38312	0.9
159.04549	1.0
161.02504	1.1
161.04602	1.8
165.02007	1.6
167.03542	1.2
177.01962	2.0
179.03557	1.6
179.05692	1.0
181.12431	2.4
183.10292	5.9
192.04510	2.3
199.13480	1.3
209.06258	1.5
211.07809	1.1
212.04897	1.0
225.05838	1.1
225.11392	2.7
227.07121	1.8
232.15155	0.9
237.05666	4.0
238.06448	4.5
239.03564	1.2
239.07161	4.3
240.04294	1.3
241.05119	7.7
242.05574	1.7
243.12384	14.9
243.14618	1.3
253.05188	1.9
254.05881	6.4
255.06659	16.1
256.07428	15.3
257.08075	1.5
269.04730	2.8
269.08325	1.2
270.05029	3.2
270.09061	2.4
271.05258	2.5
271.09781	19.3
272.10358	1.2
283.06158	1.9
285.13434	5.0
297.07788	2.1
298.04919	3.1
299.05322	6.4
300.06302	11.6
301.06985	1.9
315.08768	41.0
315.14688	1.8
316.09293	3.2
345.15506	6.7
357.09991	1.9
405.18027	3.3
417.72141	1.0
431.10110	1.0
459.13010	29.4
460.13370	4.5
473.14597	2.1
598.16986	1.2
613.19537	100.0
613.39563	7.4
614.19763	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	613.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.0
61.98833	2.1
69.16423	2.6
69.65553	0.4
71.01382	0.7
71.45171	0.5
80.28858	0.5
83.01421	0.5
86.55580	0.4
88.98811	0.6
90.90394	0.4
96.96008	1.0
97.02947	0.6
98.21802	0.9
101.02462	0.6
102.98598	0.5
107.01379	0.4
108.02187	0.9
109.02957	3.7
111.00890	0.6
116.92879	1.0
117.92896	0.6
120.99670	100.0
122.00014	1.5
122.03761	0.8
123.00913	0.6
123.04530	2.1
125.02447	3.7
134.03772	1.1
135.04616	0.5
137.02415	3.0
139.00418	0.4
139.04027	0.5
139.88454	0.4
144.65492	0.4
149.02477	1.6
149.06136	1.2
151.04037	2.8
152.01204	0.5
153.01959	1.3
161.02513	1.4
161.06029	0.8
162.03195	0.7
163.04041	0.9
164.04858	1.1
165.01915	1.0
165.05603	1.3
166.60059	0.5
167.03499	1.0
168.00725	0.8
169.01434	3.3
175.04041	0.6
175.07697	0.6
179.03592	0.7
179.07175	1.6
180.04271	0.8
191.03526	1.0
193.05057	0.6
203.07195	1.3
205.05069	1.4
206.05783	0.5
211.02522	1.9
211.09627	0.4
215.07135	1.3
243.03331	0.5
245.08226	1.0
257.08215	0.5
271.04517	2.4
283.21378	0.5
285.06256	0.8
287.13107	0.5
289.07190	2.8
290.07498	0.5
300.02640	0.6
301.03781	0.8
301.07260	3.4
313.05881	0.6
315.08911	0.7
329.13971	29.3
330.14252	2.1
331.06802	0.7
361.06921	0.5
382.11307	0.5
391.64343	0.4
451.14063	14.6
452.14450	1.3
452.59216	0.4
491.19318	14.2
492.19626	1.6
523.21228	0.5
613.17358	0.6
613.25439	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	613.2291
Annotation	Chlorophyllide a
Peak:m/z	Relative Intensity
54.12194	1.4
57.03460	1.6
57.86220	1.5
57.99704	1.4
58.50928	2.2
59.01371	4.9
60.78840	1.3
69.03478	1.8
69.09324	10.3
69.93213	1.5
71.01380	2.7
73.81971	1.6
74.81627	1.5
83.01387	1.7
83.05035	2.5
85.02958	19.2
85.06590	5.0
87.04530	3.7
95.05008	11.8
96.95982	1.8
97.02939	2.3
97.06603	2.5
97.09426	1.4
98.22536	3.6
99.00874	3.4
108.02179	4.5
109.02998	4.1
109.06591	2.7
111.00894	3.0
111.04523	32.2
111.08171	3.6
113.02479	8.5
113.06066	7.9
115.00404	2.0
116.92857	9.0
121.02931	8.0
121.06599	4.5
123.04533	3.4
123.08170	5.8
125.02451	1.6
125.09746	10.3
133.01440	3.5
135.08253	1.5
137.06102	2.9
139.03041	1.5
139.03999	6.7
139.07506	1.9
144.91252	1.4
147.04536	1.6
148.05336	3.7
149.06049	1.7
151.04015	8.7
155.07140	7.6
163.07693	2.7
165.05568	6.4
165.09193	6.5
167.03586	1.7
167.07126	3.6
175.04037	1.9
179.07135	5.2
181.05156	2.8
181.08717	6.1
183.06630	100.0
184.07002	4.4
189.09309	2.0
191.10783	6.1
193.08694	1.8
195.06540	3.6
197.08244	2.7
203.07236	2.8
207.06647	6.3
207.10339	1.8
209.08179	19.9
216.04286	5.4
217.08781	1.7
219.06706	3.2
221.08202	33.4
222.08598	1.8
223.06155	1.9
223.09758	2.1
225.07767	5.3
231.06601	7.9
233.08266	5.7
235.09785	19.4
239.09285	4.6
246.05399	3.1
247.06073	4.9
249.07722	2.9
251.09270	16.4
255.06708	1.8
261.07675	8.8
262.08435	2.3
273.07718	4.9
285.07779	2.5
301.10757	4.7
312.09827	2.0
318.41797	1.5
327.08466	2.1
328.09482	4.7
343.11862	39.5
343.15723	2.9
344.11923	3.8
345.13522	6.7
347.15121	2.4
356.40631	1.5
359.11615	2.4
366.75043	1.8
367.11819	3.7
369.13513	5.3
370.21555	1.8
371.14987	2.4
373.12964	15.3
377.20251	1.9
385.16699	3.0
387.14532	2.7
429.15552	8.4
439.17755	3.9
457.18610	10.2
483.16434	4.8
483.33340	5.5
495.46130	1.6
501.17740	4.9
535.19708	4.9
546.79749	1.8
553.20892	4.3
569.24011	5.0
577.20917	4.8
595.21857	35.4
596.22229	3.6
613.22943	57.9
613.33502	5.1
614.22797	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	613.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19193	1.0
59.01375	4.2
61.98830	4.6
62.19325	1.0
69.53070	2.4
69.53471	3.9
69.71113	1.2
88.22995	1.0
93.03470	3.5
96.96040	1.4
104.18936	1.0
109.02935	2.1
113.15986	1.1
121.02937	4.8
122.03767	10.6
123.00854	1.4
123.04494	1.3
124.01646	1.1
125.02432	2.5
126.90424	4.4
135.04445	1.3
136.01668	2.9
137.02440	4.6
149.02444	22.6
150.03241	90.4
151.00342	6.8
151.03876	2.3
153.01944	2.3
162.03220	1.2
164.04785	3.0
165.01907	9.2
165.05580	100.0
166.02734	11.0
166.05869	2.0
168.04332	2.2
169.01382	2.0
177.01979	1.6
177.05626	1.4
179.03528	2.4
180.04265	11.7
181.05080	13.8
191.03621	1.1
195.06639	62.9
196.06958	3.3
205.05135	2.4
209.08286	1.2
210.05334	1.1
221.08292	1.5
225.07730	6.9
243.06575	2.1
285.17062	4.7
357.09784	3.0
387.10223	1.5
387.14719	7.8
402.13251	1.3
417.15558	11.3
565.20538	3.1
613.23163	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	613.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56960	0.9
57.86465	0.9
59.01373	2.4
61.98825	8.1
69.08644	4.2
69.09071	4.3
71.01360	0.9
76.05985	1.0
78.82136	0.9
93.03472	5.8
95.01426	1.1
96.96038	1.5
109.02966	5.4
121.02962	8.0
122.03756	11.6
123.00911	2.5
123.04490	1.1
124.01674	1.8
125.02460	6.0
133.03036	2.1
135.04517	1.8
136.01680	4.2
137.02464	16.9
139.04146	1.2
145.02931	1.3
147.04550	1.9
149.02452	30.1
150.03235	94.3
151.00362	7.5
151.03976	6.8
151.27197	0.9
152.01175	1.4
152.04796	1.4
153.05621	1.1
161.02435	1.7
163.03966	1.9
164.01141	1.1
164.04776	5.1
165.01955	18.5
165.05579	100.0
166.02713	18.7
166.05878	2.0
167.03500	3.9
169.01411	3.1
175.04037	2.4
177.01996	1.8
177.05563	1.7
178.02664	2.0
179.03522	4.0
180.04286	14.3
181.05069	23.3
182.05457	1.0
184.03740	1.3
187.03990	4.1
189.05612	1.7
190.02646	1.2
190.06461	1.1
193.04947	1.5
194.05745	1.2
195.06628	60.9
196.06989	1.8
205.04970	6.6
207.06534	1.2
210.05479	1.2
219.06458	1.3
220.07330	3.9
221.08121	1.0
225.07698	8.1
235.09767	2.4
243.06497	1.6
315.08640	2.0
329.10358	2.2
337.59006	1.0
339.08813	1.2
341.09763	1.2
350.87552	0.9
355.11404	0.9
358.73203	1.1
372.11978	1.6
387.10635	2.5
387.14725	14.7
388.15012	1.6
399.14624	1.2
401.08844	1.5
402.13260	1.5
403.14029	3.2
416.14667	1.4
417.15582	29.2
418.15808	1.8
461.10831	1.3
535.19281	4.6
547.19586	1.5
550.18286	1.6
565.20801	53.9
566.20801	6.1
613.12854	1.4
613.22504	3.3
613.31860	2.2
627.76074	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01715	0.7
60.99296	0.6
61.98820	1.0
69.63428	0.6
69.63760	1.9
71.01414	0.4
88.98808	5.0
89.02480	0.5
93.03528	0.6
93.75858	0.5
96.96058	0.6
109.02998	0.6
110.30933	0.5
120.99684	1.1
121.02982	4.1
125.02480	1.5
135.04596	0.7
137.02481	1.4
161.04590	0.5
165.05533	0.5
166.06369	34.3
167.03502	0.6
167.06790	1.4
169.01474	1.4
177.02034	0.6
181.08720	55.2
182.09085	2.0
183.06705	0.6
193.31468	0.5
209.08391	0.6
211.04306	0.7
216.58365	0.5
222.18324	0.5
252.83321	0.5
289.07117	0.5
299.99326	1.1
301.00031	0.9
328.70425	0.6
334.95279	0.5
373.89786	0.6
391.17639	27.9
392.18176	1.8
451.14584	1.0
613.21753	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67195	0.9
59.01385	1.8
61.98830	2.2
65.42828	0.8
69.16618	5.2
88.98816	4.2
88.99479	0.6
92.16122	0.8
96.95994	1.2
98.22527	1.3
98.93722	0.7
99.92578	1.5
109.02934	1.1
115.92072	1.5
116.92892	2.3
123.04542	8.2
124.01733	0.7
126.48500	0.8
127.87141	2.2
137.02432	0.9
139.00386	1.0
145.22932	0.8
151.00385	1.9
151.04021	19.7
152.01192	0.9
153.01959	1.2
159.86037	2.2
165.05528	1.5
166.02687	6.5
167.03459	2.1
179.03506	100.0
180.03844	3.1
181.05026	5.5
190.06381	2.0
190.33046	0.7
191.07025	1.1
193.08783	1.2
194.05852	73.9
195.06186	3.8
198.18723	0.8
207.52983	0.7
209.08200	77.2
210.08485	3.0
373.13019	1.9
388.15375	1.8
403.17633	10.6
441.33383	1.1
485.32944	1.9
523.28363	4.4
604.06604	0.8
613.19800	28.4
613.34662	2.8
614.19135	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	613.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28165	1.3
59.01386	11.8
59.27971	1.6
61.55593	1.3
61.98833	2.9
64.13962	1.6
65.00321	3.0
69.21680	9.4
82.00635	3.0
93.03479	3.3
97.02962	7.5
99.00941	2.3
103.01487	8.8
105.68725	1.5
109.02976	6.6
110.00105	8.3
112.98788	3.0
115.92033	2.5
116.92905	5.3
120.99375	1.4
121.02998	2.6
122.00133	3.0
123.00940	3.0
125.02484	10.2
125.09691	1.7
125.99600	9.4
137.02457	48.9
137.99623	11.6
138.03091	1.5
141.01976	3.3
143.91531	1.4
149.02417	6.9
152.04816	2.9
153.01945	96.6
153.99132	5.9
154.02322	1.8
155.03528	7.2
163.04132	3.0
164.04819	4.0
165.05592	2.0
168.04282	100.0
169.04671	3.1
177.01935	37.8
178.02702	20.3
181.01476	2.1
181.05055	14.3
184.04010	1.7
191.03612	1.5
192.04286	50.6
193.05096	9.5
196.07399	29.3
197.08202	13.8
207.06631	66.9
208.06989	2.7
211.09761	29.4
487.34695	5.7
613.26593	61.5
613.35022	11.2
614.26917	9.8
614.35339	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	613.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04963	1.8
58.71173	1.6
59.01388	13.4
61.98829	5.0
65.00312	3.4
68.99565	2.4
69.08361	11.2
78.92905	1.6
81.03464	3.2
83.05035	2.3
93.03447	2.1
95.05021	1.7
95.34103	1.5
97.02972	9.3
99.00907	2.1
99.92621	1.9
100.03648	1.5
103.01515	7.4
109.02950	3.9
110.00114	6.9
112.98653	3.2
116.92876	6.3
118.90318	1.7
121.02986	3.2
123.00953	2.4
125.02467	9.1
125.09720	1.8
125.99614	7.4
136.74081	1.6
137.02466	39.9
137.99615	13.7
139.00443	2.6
141.01933	2.0
141.81654	1.5
149.02507	7.5
153.01950	90.9
153.99098	5.0
154.02316	2.1
155.03516	5.4
164.04828	4.2
165.05600	2.8
168.04297	100.0
169.01530	1.7
169.04668	2.7
177.01955	32.8
178.02754	18.7
181.05116	17.3
192.04321	41.5
193.04968	9.7
196.07404	32.8
197.08176	11.7
207.06641	61.2
211.09740	26.7
269.65591	1.7
307.19394	1.6
430.16708	1.8
475.55084	1.6
487.34491	4.6
507.01837	2.0
578.19843	2.1
613.26868	51.5
613.34937	16.5
614.27161	11.7
614.35455	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	613.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	46.2
60.60779	1.9
61.98822	8.8
70.48263	4.4
71.01376	5.3
89.02488	2.6
93.03468	1.9
96.96004	2.9
101.02428	3.1
109.02961	2.2
116.92872	9.1
123.00890	2.6
125.02436	6.9
129.38110	1.9
131.73898	1.8
137.02443	2.6
139.00322	2.3
139.11310	15.3
142.40790	1.7
150.03265	3.0
163.04012	2.4
163.11252	4.0
165.01920	2.0
165.05548	3.0
167.03619	2.6
169.01471	4.0
181.12361	6.9
183.10291	12.2
186.47710	2.0
195.06654	3.2
207.10269	3.7
225.11345	6.4
243.06613	2.2
243.12398	5.7
256.12888	2.5
347.15036	7.9
387.16489	2.6
550.23712	5.1
553.26538	7.3
557.04822	2.0
595.27655	4.8
613.28687	100.0
614.29211	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	613.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.1
57.03444	2.4
58.00568	1.1
59.01382	54.0
60.01693	0.8
61.98820	2.8
71.01389	6.1
71.60647	0.9
72.99328	1.2
73.02948	2.3
73.05465	0.9
75.00848	1.1
85.02946	3.3
85.89172	0.9
87.00896	1.1
87.04546	1.3
89.02446	3.7
96.96003	1.5
97.02908	1.3
98.22514	2.5
101.02457	2.8
106.10207	0.9
108.02180	15.0
109.02970	7.9
113.02448	2.3
115.86358	0.9
119.03494	2.1
121.02953	2.1
123.04533	18.2
124.04929	1.2
125.02419	1.5
127.07624	1.0
133.02911	1.7
134.03745	2.6
135.04501	2.4
137.02492	2.2
139.11296	23.1
140.11649	1.1
141.81932	1.1
148.67183	0.9
149.05968	1.3
151.04030	1.0
152.01166	13.8
153.01894	3.0
153.05594	12.0
154.05861	0.9
161.02417	2.7
163.03966	1.1
163.11282	3.8
165.01985	1.1
166.28148	1.0
169.12349	1.5
179.03481	1.3
179.10747	1.4
181.05092	1.6
181.12381	8.4
183.10265	33.7
184.10567	1.1
195.13979	1.5
197.11844	2.1
199.13396	2.1
225.11290	12.7
237.05585	1.3
241.05096	1.7
243.12350	5.6
254.05869	2.2
255.06570	6.2
256.07355	4.6
262.77780	1.0
271.09808	6.1
285.13480	2.1
297.07596	1.1
300.06174	2.0
301.07098	1.5
315.08844	13.7
330.71750	1.1
347.59433	0.9
459.12997	10.4
460.13379	1.0
550.58374	1.1
569.16876	6.1
570.16870	1.6
595.30963	4.0
613.16455	35.4
613.31921	100.0
614.16699	7.9
614.32483	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	613.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.3
59.01382	50.4
60.01705	0.7
61.98828	3.1
71.01392	4.8
73.02949	2.2
83.01404	0.8
85.02969	1.2
89.02455	3.2
101.02459	2.9
108.02195	0.9
113.02451	2.1
119.03500	0.8
125.02462	0.8
139.11298	23.4
139.12334	1.5
140.11633	1.3
161.04492	1.3
163.11295	1.1
169.01361	1.0
178.55511	0.8
181.12350	8.0
183.10281	27.7
184.10623	1.7
195.13875	1.4
199.13446	1.3
225.11378	3.9
225.15013	1.0
227.03506	6.7
243.12372	1.6
255.03006	6.6
256.03607	1.1
284.03253	7.4
285.03976	5.0
306.07724	2.9
387.20193	0.9
595.31274	4.4
613.19598	7.1
613.32306	100.0
614.19769	2.0
614.32697	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	613.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84042	2.3
52.52364	2.1
71.12888	2.5
83.47356	2.6
85.02982	5.4
86.58424	2.3
92.92793	3.0
97.06602	3.4
99.00886	2.6
111.04547	8.5
113.09753	3.6
116.92868	3.1
125.09740	8.6
133.03009	2.5
135.04520	4.3
136.54622	2.1
153.32874	2.5
154.02776	3.8
161.02411	2.5
169.05075	15.7
179.03557	5.0
179.07300	3.1
181.08694	23.4
199.26299	2.4
207.13930	3.2
208.07463	7.2
209.08229	7.6
223.13486	2.3
224.06921	14.0
259.94144	2.7
307.15674	3.0
314.60202	2.3
377.19717	100.0
378.19995	7.0
400.87769	2.4
431.24341	7.3
613.35364	7.8
613.47198	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	613.3386
Annotation	Lasonolide E
Peak:m/z	Relative Intensity
57.03458	1.9
61.98837	5.5
69.65470	1.2
70.58810	2.4
70.87189	1.0
83.05048	1.6
85.02964	3.1
85.06586	1.6
85.52493	1.0
87.04530	1.9
87.16068	1.0
97.06585	1.2
99.00896	4.5
104.46719	1.1
107.05096	1.3
107.10839	1.1
109.06593	1.6
111.04537	7.4
113.06115	1.2
113.09729	12.8
123.04492	1.4
125.02475	1.2
125.06104	1.7
126.11327	1.0
128.28694	1.0
132.18942	1.0
137.88412	1.0
139.03996	1.3
141.05551	1.4
151.04097	1.1
154.02788	3.5
165.09196	3.2
166.06395	1.5
169.05070	14.0
181.08719	100.0
182.09093	3.2
193.08699	1.3
195.06618	2.1
207.13945	4.3
207.16286	1.0
209.08199	13.3
224.06831	9.7
263.12802	2.1
289.14459	1.3
307.15512	2.2
319.19769	1.0
349.20093	1.8
353.19946	1.1
359.18680	1.3
377.19711	90.0
378.19965	7.4
431.24442	6.4
595.32904	1.2
613.33392	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	2.0
64.48660	0.9
71.05022	1.7
71.68230	1.0
78.53654	1.3
79.01903	1.3
83.05031	2.2
85.02956	6.1
85.06597	2.9
85.83567	1.0
87.04510	3.3
91.83054	1.0
92.16785	1.1
95.05035	4.6
97.02941	1.6
98.21783	1.9
99.00869	6.3
101.06082	2.0
109.06602	3.4
111.04527	25.2
113.06065	1.2
113.09727	12.8
117.31029	1.0
123.08173	3.9
125.06097	1.7
127.04005	1.2
136.29242	1.0
137.09749	3.4
139.04033	11.7
140.04395	1.3
153.05594	2.2
165.09235	19.8
166.06474	1.1
169.05078	38.5
181.08733	74.1
182.09048	2.8
191.07050	1.4
193.08690	4.2
198.53444	1.1
203.14357	1.7
207.13855	7.0
209.08203	96.3
210.08527	3.9
219.13918	4.5
221.15437	5.0
243.68631	1.1
247.09528	1.5
247.13185	1.0
263.12869	19.6
264.13287	1.4
275.12943	1.9
289.14603	1.2
291.19684	3.0
303.23584	1.1
315.19427	1.0
333.20581	4.0
359.18683	8.2
377.19699	100.0
378.20120	7.7
387.25513	2.4
431.24429	21.7
432.24496	2.0
613.33893	33.4
614.34302	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	613.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60996	0.7
57.03439	0.9
61.84930	0.6
68.99559	5.6
85.02956	0.6
85.06596	0.8
85.35360	0.5
87.04491	1.3
100.04792	0.6
109.06589	2.0
111.04551	5.0
113.09745	6.5
123.08152	2.3
124.77262	0.6
127.09241	0.8
137.02467	1.0
138.03250	2.5
147.08171	1.2
163.11395	0.6
165.01912	2.0
165.09195	4.9
166.02742	12.5
166.06377	0.7
181.08714	35.3
182.08975	0.9
191.07080	0.8
207.06644	4.8
208.07410	42.9
209.08109	3.5
219.06615	3.0
223.13278	0.7
233.08070	1.2
247.09752	17.3
248.10016	0.9
262.12122	2.5
263.12732	1.0
286.80600	0.7
289.14618	0.9
307.15509	1.5
359.18781	2.1
377.19696	100.0
378.19983	7.1
431.24393	24.0
432.24600	1.9
503.69089	0.7
613.33691	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.7
69.18856	3.1
87.04527	1.1
101.27766	0.5
107.05151	0.5
109.06582	2.0
111.04514	2.0
113.09727	4.4
123.08123	0.9
126.32825	0.5
135.95456	0.6
137.02484	0.6
138.03188	0.9
148.98482	0.5
150.06844	0.6
165.01929	1.3
165.09241	3.6
166.02731	7.1
176.03453	0.5
181.08710	31.9
191.07173	0.6
207.06609	3.6
208.07408	28.5
209.08157	5.5
210.08760	0.5
219.06680	1.7
247.09764	8.6
262.12115	1.3
263.12781	0.7
276.94077	0.6
289.14481	1.1
307.15610	1.4
348.81589	0.6
359.18658	1.8
377.19702	100.0
378.20044	9.1
431.24405	17.7
432.24664	1.5
613.33771	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81578	0.3
64.90954	0.3
69.39664	0.9
69.40049	0.8
76.49420	0.3
85.02954	2.3
85.06586	2.1
86.60378	0.3
87.04516	1.2
95.05052	0.6
97.06597	1.0
99.00882	1.3
99.04536	0.4
101.28045	0.4
109.06574	0.3
111.04530	4.8
111.31936	0.3
113.06075	0.4
113.09722	0.7
125.06067	1.0
129.01964	0.9
139.04004	0.6
139.57915	0.3
141.05597	1.1
153.01994	0.5
165.09167	1.1
169.05063	9.9
179.07152	0.8
181.01392	0.4
181.08710	5.0
182.02229	1.5
193.08757	1.7
195.06638	1.5
203.14401	0.9
205.12347	0.7
207.13936	3.0
208.07408	0.8
209.08203	4.2
219.13980	0.3
221.08185	0.8
221.15434	1.0
223.06110	2.1
224.06895	11.8
225.07169	0.5
263.12787	1.0
265.14450	1.2
319.19037	0.8
331.19266	0.6
333.20853	0.5
349.20065	2.0
359.18765	0.8
361.20288	2.0
376.18933	0.4
377.19690	100.0
378.20029	7.2
431.24420	3.1
439.71204	0.3
450.72543	0.3
613.33215	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.8
61.63897	0.6
68.70335	0.6
79.01910	0.8
81.02892	0.6
85.06584	1.1
87.04505	1.3
95.05054	0.9
97.02942	1.2
99.00901	1.1
106.33981	0.5
109.06587	1.0
111.04527	7.5
113.09727	7.1
123.08176	1.5
125.06095	1.0
137.02507	0.9
138.03224	0.9
139.04007	3.3
141.05611	1.1
154.02690	1.9
165.01923	2.0
165.09235	7.5
166.02731	8.8
167.03127	0.7
167.39626	0.5
169.05060	6.8
179.06996	0.8
180.07887	1.2
181.08710	42.4
182.09093	2.5
191.07060	1.1
193.08759	1.8
195.06613	4.0
203.14236	0.7
205.12299	1.6
207.06615	4.5
207.13911	1.1
208.07408	33.2
209.08195	44.9
210.08464	2.0
219.06584	1.8
223.09749	1.3
224.06926	4.9
233.08203	0.7
247.09752	11.5
249.43922	0.5
261.11273	2.0
262.12036	1.8
263.12939	9.0
264.13123	0.5
265.14377	0.6
277.10956	1.1
287.12927	1.6
291.12354	1.2
301.14832	0.6
301.18130	1.6
319.15613	0.9
343.19022	0.7
345.17050	0.6
359.18665	3.7
376.21890	1.0
377.19678	100.0
378.20035	8.8
431.24338	21.2
432.24750	2.4
439.89743	0.6
441.78915	0.6
613.33704	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	613.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.1
61.98823	0.9
68.02924	0.7
68.99830	0.7
69.66952	0.8
69.67275	3.0
79.01912	1.1
80.26772	0.7
82.81046	0.7
85.06562	1.8
85.99193	0.6
87.04514	2.5
95.05029	2.3
97.02988	0.7
99.00881	1.8
109.02940	0.9
109.06616	1.3
111.04529	10.7
113.09738	8.9
121.02917	0.8
123.08171	1.8
125.02447	1.0
125.06053	0.7
137.02441	1.9
138.03209	2.9
139.04019	4.8
141.05632	0.7
151.07689	0.8
153.05583	0.8
154.02754	3.5
165.01929	3.4
165.09210	12.6
166.02716	16.1
166.06396	1.0
169.05080	11.1
179.07104	1.7
180.07971	0.8
181.08720	56.8
182.09029	2.6
189.05695	0.8
191.07103	2.1
193.05048	0.7
193.08690	1.7
195.06651	3.6
205.12405	0.9
207.06631	8.3
207.13892	1.5
208.07419	47.5
209.08199	64.6
210.08488	2.7
217.12352	1.0
219.06644	2.6
219.13927	0.9
221.08315	1.0
223.09702	1.2
224.06892	5.4
224.38777	0.7
233.08278	1.0
247.09752	13.5
247.13501	0.8
261.11282	2.7
262.12054	1.8
263.12921	7.9
265.14349	1.2
275.12906	1.0
277.10757	1.4
287.13055	1.5
291.12350	2.1
301.18118	1.6
303.00378	0.7
331.19156	1.0
343.19049	1.2
349.19757	0.9
359.18762	5.3
377.19699	100.0
378.19980	7.5
413.23547	1.1
431.24475	16.1
432.24942	1.3
537.05927	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.0635
Annotation	Phyllanemblinin A
Peak:m/z	Relative Intensity
51.09146	0.4
52.63688	0.3
69.48824	2.0
72.69375	0.4
73.74425	0.4
92.26180	0.4
107.01405	1.9
109.02906	0.4
123.00913	1.0
125.02454	7.3
137.02452	1.0
145.02966	0.6
157.02905	0.4
161.02408	0.8
163.03976	0.5
165.01950	0.6
167.03531	0.5
169.01430	5.2
172.01659	1.6
173.02441	0.8
176.38759	0.4
177.01933	0.6
180.04242	0.4
185.02420	1.5
200.01169	1.6
201.01990	1.3
202.09108	0.4
216.00647	1.8
225.07747	0.5
226.99840	1.0
228.00620	1.5
229.01439	3.4
231.02968	0.6
237.40889	0.5
244.00175	2.2
245.00858	1.2
257.00931	1.5
270.98822	0.6
271.02579	0.5
271.99628	2.8
275.50052	0.4
282.98776	1.7
283.99744	2.1
298.98462	0.8
299.94138	0.7
299.99133	42.4
300.99902	100.0
302.00229	5.8
316.02374	0.7
391.47342	0.5
445.04251	0.7
463.05222	27.8
464.05600	2.4
493.13495	0.6
615.06262	54.6
616.06592	6.4
639.17438	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.0662
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89484	0.3
53.73884	0.3
61.98821	0.4
64.46102	0.3
68.58823	0.3
71.01414	0.3
76.37141	0.3
83.01420	0.4
95.01452	0.3
95.94346	0.3
96.96023	0.3
99.92593	11.1
104.79379	0.3
107.01399	0.4
107.52433	0.3
111.58121	0.3
114.93400	0.5
116.92870	100.0
117.92879	3.8
123.00854	0.4
123.04436	0.4
125.02492	1.6
129.19241	0.3
137.02477	0.3
143.68684	0.3
149.02446	0.5
151.00354	0.7
165.02005	0.5
169.01447	1.3
193.11955	0.3
225.33330	0.4
255.02992	0.9
271.02444	1.5
272.03012	0.4
288.15985	0.3
293.17169	0.4
300.02777	4.3
300.99957	0.8
301.03568	4.4
312.25391	0.3
316.02368	0.5
326.97488	0.3
463.09003	3.5
497.13239	0.7
579.04456	0.8
615.09772	3.9
615.18066	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84158	1.1
59.01369	3.6
60.92760	1.3
61.98819	3.5
71.01391	1.9
71.29554	1.7
74.99085	2.0
81.72546	1.2
83.01418	1.7
87.00898	1.8
88.98821	6.3
89.02452	1.8
93.03468	2.0
95.01402	2.3
96.95997	3.7
101.02416	2.6
107.01418	2.2
108.02152	2.3
109.02944	8.3
110.00098	12.0
111.00879	5.5
113.70721	1.2
116.22134	1.2
120.99664	3.3
121.02958	2.7
123.00890	4.8
123.04523	2.1
125.02449	10.0
133.02998	1.5
136.98880	1.6
137.02449	3.5
137.99614	3.2
139.00381	15.7
151.00394	3.1
151.03986	2.6
152.01183	2.5
153.01930	6.2
161.02449	3.7
165.01942	4.9
165.99080	14.8
166.99872	6.7
167.03520	2.0
168.00652	1.9
169.01474	9.5
171.04637	1.7
175.03838	1.5
178.99908	6.5
179.03542	7.8
180.04309	2.7
191.05649	1.9
194.05820	8.5
194.99394	2.3
195.06567	6.5
198.03307	1.9
199.03906	4.1
201.02066	2.5
208.00099	1.7
209.08154	6.8
211.65916	1.3
214.02837	1.7
216.04199	1.7
227.03531	3.8
231.02916	2.3
242.02193	2.7
243.02998	4.9
244.03693	1.9
245.04552	1.6
255.03004	3.4
259.02460	3.8
270.01794	8.4
271.02469	26.5
271.05270	2.0
272.03040	2.8
287.01981	25.7
288.02600	2.0
289.07205	2.4
299.01929	5.0
299.99225	2.6
300.02753	3.5
300.99829	6.2
301.03125	1.8
315.01596	1.4
316.02237	60.3
317.03033	20.9
376.42990	1.4
445.03455	1.3
453.17746	2.7
463.04840	2.3
479.08319	25.7
493.13605	17.2
615.09882	100.0
616.10468	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	615.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05568	0.6
59.01385	3.9
61.98805	1.1
65.00307	1.0
69.14904	0.9
69.15237	4.9
71.01379	3.9
76.53017	0.7
83.01404	1.4
85.02971	1.0
87.00880	0.8
89.02470	4.8
93.03473	0.7
95.01380	1.5
101.02425	2.1
107.01392	5.1
108.02148	2.2
109.02939	2.0
113.02417	1.3
116.92822	1.2
119.03487	2.1
120.59999	0.7
121.02954	1.9
123.00914	3.4
124.01663	2.3
125.02459	22.9
126.02792	1.2
127.76697	0.8
135.00925	1.2
137.02486	1.5
139.00348	1.2
139.04001	1.1
143.03432	0.8
149.02487	1.9
150.03233	1.0
151.00374	15.3
153.01898	1.0
161.02451	1.3
161.04491	0.7
163.00420	3.2
164.01192	2.2
165.01880	2.3
165.05536	0.7
165.56042	0.7
167.03427	1.0
168.00552	0.8
169.01443	22.8
175.04037	0.6
177.01917	4.8
178.99867	7.5
179.05611	0.8
187.86188	0.7
192.00601	0.8
192.04237	1.8
195.06644	2.5
211.02463	1.3
221.04437	0.8
226.02699	0.8
227.03453	2.6
243.02982	7.8
245.04478	0.9
254.02188	1.9
255.02986	20.7
256.03540	1.3
271.02469	51.6
272.02939	3.2
283.02438	1.7
299.02002	1.3
300.02759	100.0
300.99988	2.8
301.03461	41.7
302.03815	2.1
305.06537	1.0
313.05664	5.3
315.01288	0.9
343.04410	0.8
387.12891	1.9
401.04773	0.7
423.07150	0.7
463.08936	51.8
464.09384	3.2
615.09924	82.9
616.10248	10.3
643.89081	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.0998
Annotation	Quercetin 3-(6''-galloylglucoside)
Peak:m/z	Relative Intensity
59.01370	2.0
60.94571	1.0
61.98839	6.9
63.02394	3.6
65.00324	8.5
69.03467	0.9
70.91850	2.0
71.01379	2.7
73.02960	1.2
73.84943	1.1
81.03397	1.4
81.45337	1.0
83.01379	5.8
88.98806	3.1
93.03450	2.8
95.01392	1.7
96.96020	11.2
106.55927	0.9
107.01402	22.4
109.02961	3.3
111.00902	1.2
116.92848	3.2
120.99645	3.4
121.02972	13.0
122.03751	1.8
122.99279	2.3
123.00901	6.4
123.04523	2.0
124.01682	1.8
125.02457	34.0
126.02799	1.2
136.01675	1.1
137.02449	3.9
139.00397	2.7
139.04037	1.7
149.02437	4.0
150.03230	9.5
151.00378	69.2
151.03995	8.2
152.00760	1.8
153.01927	1.5
159.04500	1.1
161.02397	0.9
163.00426	1.6
163.04068	1.5
164.01083	1.8
165.01952	4.0
165.05586	9.3
167.03459	2.4
168.00592	1.9
169.01439	44.9
170.01755	1.4
177.01845	2.0
178.99876	29.7
179.03497	1.9
180.00301	1.1
180.04230	2.9
181.05064	2.6
192.00720	1.0
193.01418	1.6
195.06625	8.8
211.02345	1.2
211.04150	1.2
212.04990	1.0
212.28384	1.1
225.07729	2.3
243.06572	1.3
245.04422	1.5
257.04572	1.2
271.02405	2.1
273.04092	3.4
300.02704	5.2
301.03546	93.9
302.03806	6.2
303.05185	1.4
313.05664	31.4
314.05902	1.9
359.11200	2.2
373.13110	1.9
389.16553	1.2
419.17197	2.8
453.09119	1.1
458.20404	1.2
463.08401	1.8
493.20770	1.1
547.92426	1.1
585.23657	1.7
615.09839	100.0
615.17670	3.8
616.10315	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	615.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04257	0.4
55.95166	0.4
59.01376	3.1
61.98833	2.6
65.00317	0.5
67.01892	1.0
69.03452	1.3
69.33199	0.8
69.33603	1.7
71.01387	3.1
72.75576	0.5
72.99328	0.7
73.02956	1.0
79.01888	0.5
81.03468	1.0
83.01409	0.9
85.02966	1.5
87.00892	1.3
89.02463	0.7
94.27471	0.4
95.01400	2.0
96.96030	0.5
96.99305	0.5
97.02972	1.6
99.00928	0.6
101.02458	2.1
107.01396	10.6
107.02073	0.8
107.05025	4.3
107.54237	0.4
109.02962	1.9
111.00903	2.4
113.02464	1.7
121.06599	0.5
123.00899	7.5
123.04507	0.8
124.01644	1.5
125.02455	67.8
126.02778	1.5
127.00386	0.7
133.81560	0.4
135.04480	0.5
136.98854	1.1
137.02469	2.8
138.03177	0.6
139.00365	3.6
139.04048	0.8
139.11290	1.5
140.01216	3.4
141.01932	1.5
143.03526	1.2
149.06088	13.3
151.00359	5.7
151.03999	0.7
152.01253	0.4
153.01955	1.8
155.03532	0.5
160.04126	0.5
161.02469	0.5
163.07758	0.6
164.04865	0.4
165.02011	0.5
166.99921	0.7
167.03476	0.6
168.00670	4.8
169.01434	74.9
170.01799	2.2
179.03503	1.2
181.01376	0.6
181.05049	0.6
181.12375	0.9
183.10262	2.0
191.03534	0.6
193.01419	1.0
193.05096	0.7
194.05859	0.6
195.03015	1.1
205.05151	0.6
207.03067	0.5
209.08237	0.8
211.02507	1.5
219.85890	0.4
223.02452	0.5
225.03909	0.5
225.11395	0.7
227.09195	0.9
237.04053	0.8
253.03551	1.4
255.05049	1.1
289.07285	0.5
295.04599	1.5
300.02838	0.6
313.05658	14.8
314.06100	0.6
349.13220	0.5
371.13373	1.5
381.46249	0.5
389.14276	0.8
413.18289	0.6
433.10718	0.6
435.12851	1.0
445.11349	0.6
463.12476	12.3
464.12750	1.4
465.06815	2.5
565.25397	0.5
597.26013	0.6
615.13525	100.0
615.25684	3.1
616.13831	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	615.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18847	1.4
59.01382	11.8
61.98830	1.5
67.01886	1.9
69.03462	1.4
69.21534	4.0
69.21956	4.6
71.01381	8.4
72.99268	1.5
73.02936	1.5
77.59188	1.3
79.01918	1.9
81.03455	2.5
83.01408	1.5
85.06044	1.2
87.00900	2.3
89.02448	4.0
89.89375	1.3
91.37402	1.3
93.03415	1.7
94.25905	1.3
95.01398	5.0
97.02983	3.2
98.22584	2.6
99.56070	1.3
101.02464	4.0
107.01404	9.6
108.02180	1.9
109.02946	3.3
111.00881	5.5
113.02495	2.9
119.03500	1.8
121.02941	3.1
123.00898	16.4
123.04556	5.8
124.01706	2.6
125.02456	75.0
126.02812	1.8
135.04462	1.8
137.02475	3.9
139.00394	7.0
139.04012	3.5
139.11319	2.5
140.01218	6.3
141.01945	1.9
145.02971	2.3
149.02394	1.6
151.00400	8.7
151.03978	3.1
160.04068	1.4
161.02489	1.7
165.01936	5.7
165.09235	4.9
166.99890	4.3
167.03520	2.6
168.00635	14.8
169.01439	100.0
170.01805	3.4
170.71933	1.3
177.02052	1.3
179.03500	5.5
181.12355	2.1
183.02989	2.2
183.10275	4.6
195.03165	1.8
206.52643	1.4
209.08177	20.0
211.02492	56.3
212.02875	2.0
223.02419	1.3
225.11270	1.9
241.03456	3.0
243.12392	20.5
252.07883	1.4
267.06622	2.2
268.07315	9.7
269.08139	5.3
271.04611	95.0
272.04965	3.9
283.09866	6.3
285.11246	1.5
289.07196	3.8
300.02716	2.2
301.03549	1.8
303.08713	2.6
313.05652	31.3
327.07346	2.3
331.06720	23.6
371.13712	1.6
525.15430	2.0
579.30054	5.6
585.15967	1.8
597.16193	79.2
598.16528	9.8
615.17004	22.6
615.26801	6.4
616.17383	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	615.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98818	3.1
64.59262	0.8
67.01891	1.6
92.68587	0.9
93.03458	4.2
97.02950	1.0
109.02979	2.6
116.92863	3.3
117.01974	0.9
117.04351	1.1
119.05045	9.8
121.02934	1.5
122.03742	1.1
123.00870	1.3
123.04517	1.2
125.02459	2.8
126.33229	0.8
135.04523	1.6
136.01654	2.8
136.57234	0.9
137.02438	22.4
138.02832	1.0
145.02908	1.0
149.02454	3.3
149.06088	0.9
150.03241	9.1
151.00398	0.9
151.04002	4.4
155.03462	2.3
161.02449	2.3
163.00349	0.8
163.04002	8.8
164.01204	3.8
165.01942	100.0
165.05606	6.6
166.02396	2.6
167.03578	1.4
169.01443	1.6
179.03511	28.2
179.07127	1.2
180.04292	61.8
181.04802	2.6
189.05472	1.1
194.05846	6.8
195.02972	2.9
195.06631	75.5
195.89723	0.9
196.07011	3.8
205.08733	1.0
210.05341	14.7
213.05769	1.1
217.06964	0.9
225.07690	58.3
226.08018	2.3
241.05099	1.0
270.09091	2.5
283.09644	1.2
289.07178	2.5
297.11172	1.1
299.09311	1.5
301.07312	1.3
311.09344	1.5
313.10873	1.6
314.07794	2.1
319.08282	3.5
326.07968	1.3
327.12473	1.5
328.13159	4.7
329.10275	4.5
341.10266	6.8
341.13818	1.4
343.15533	1.7
344.12589	7.5
356.12634	2.0
359.15005	14.9
360.15237	2.2
371.15027	11.8
382.85574	1.0
389.15958	4.2
421.01898	1.1
436.10120	1.0
451.34003	1.0
453.04868	1.8
504.00757	1.0
537.22156	4.1
552.19904	1.6
567.22357	46.5
568.22705	6.9
615.08972	1.6
615.24756	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	3.4
59.01385	38.4
61.98831	16.5
68.99484	14.7
71.01385	10.2
72.99322	1.4
73.02934	5.5
81.03470	2.3
83.01376	5.8
85.02937	4.3
86.06910	1.5
87.00880	11.5
88.98799	6.5
89.02432	4.4
90.22375	1.2
93.03484	2.8
95.01371	2.3
95.05028	1.6
96.96016	3.3
101.02433	7.0
102.98680	1.6
108.02213	2.4
109.02930	7.6
111.00867	2.0
113.02445	4.4
119.03510	2.1
120.99654	1.3
121.02963	4.6
123.00874	6.3
123.04508	5.7
124.01646	1.6
125.02469	18.0
133.05083	4.5
134.03726	2.3
135.04555	3.2
136.01680	1.7
137.02475	13.8
138.03203	4.0
139.04044	4.3
139.11308	17.4
149.02388	2.4
149.06085	1.3
150.03189	2.1
150.56503	1.3
151.00359	5.2
151.04013	8.6
153.01971	2.8
153.05560	5.2
160.04073	1.9
161.02376	2.2
161.04503	1.9
163.11349	2.0
164.04810	3.2
165.01941	2.7
165.05580	1.6
165.09164	1.8
167.03506	2.3
168.93524	1.4
169.01451	19.3
179.03513	68.2
179.07036	2.8
179.10736	2.1
180.04153	5.6
181.01428	2.0
181.05162	1.5
181.12325	4.4
183.06569	1.6
183.10272	27.9
193.05063	18.6
193.08682	1.6
194.05853	54.9
195.06592	11.4
203.07153	2.1
208.07463	5.2
209.08205	80.1
210.08548	3.1
214.97903	1.4
225.11378	10.4
240.08121	1.7
243.12334	6.3
245.08029	2.3
255.03217	1.9
256.07416	2.5
267.12567	1.7
268.07440	3.4
271.02310	2.2
271.04877	1.8
271.09750	5.9
281.06525	1.6
283.09698	2.7
289.07205	13.5
291.12250	1.8
300.02734	4.2
301.03564	2.8
301.10876	4.3
311.07489	1.4
313.05695	6.1
387.16724	1.7
417.24683	2.1
453.15631	2.1
461.20193	4.8
463.08826	3.5
525.14807	2.2
597.16187	3.8
597.25397	23.7
598.25592	3.1
615.17236	15.6
615.26477	100.0
616.17822	2.9
616.26740	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	615.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.7
59.01384	32.6
66.30034	1.2
69.18971	5.8
69.19373	2.1
71.01391	8.0
73.02956	2.3
83.01370	1.8
85.02954	3.9
87.00870	1.2
89.02442	3.0
101.02443	4.8
113.02449	2.5
125.02449	1.1
133.37669	1.1
136.01691	1.3
137.02441	7.5
138.03239	3.3
139.10222	1.9
139.11302	34.4
151.11337	1.0
152.04805	6.4
153.05582	3.8
160.04048	2.5
169.12338	2.4
177.96225	1.0
179.03546	3.1
181.12344	7.3
183.10283	37.2
184.03847	1.1
194.05864	3.8
195.06586	2.9
197.11879	1.6
209.08307	6.0
212.06956	4.4
225.11348	10.0
227.09248	9.6
243.12340	2.8
357.11859	2.7
371.13541	11.6
389.14175	2.6
404.09656	1.1
438.30130	1.1
541.23260	2.3
597.25140	8.3
615.26587	100.0
616.26843	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	615.266
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	2.9
59.01382	38.5
61.81757	1.8
61.98827	10.5
69.24429	10.7
69.24833	2.5
71.01387	10.8
73.02928	5.2
83.01393	2.4
85.02941	4.9
87.00861	3.0
88.98796	4.3
89.02437	3.5
95.01391	2.4
96.96008	2.8
101.02415	7.1
107.01364	2.4
108.02125	2.3
109.02946	4.8
111.00842	2.4
111.04541	3.1
113.02431	5.3
123.00911	3.1
123.04457	4.2
123.83977	1.5
125.02461	9.6
133.02937	2.9
134.03764	1.9
136.98817	2.0
137.02451	14.1
138.03194	5.8
139.03885	2.0
139.11301	28.7
149.02408	3.5
149.06056	2.0
150.03343	1.8
150.66953	2.1
151.00423	1.9
151.03951	3.8
152.04739	3.5
153.01898	2.4
153.05551	4.2
160.03973	3.3
161.02385	6.3
161.04538	2.7
165.01973	3.0
167.03470	3.3
167.07199	2.7
169.01457	8.6
179.03513	12.2
180.04285	2.4
181.08690	3.7
181.12289	7.9
183.10274	36.4
193.05112	2.4
194.05794	6.6
195.06493	2.3
199.13390	2.9
203.06828	1.8
209.04391	1.8
209.08165	11.7
212.06818	7.0
223.05856	1.6
225.11258	7.4
227.09312	9.3
243.12379	11.0
252.78674	1.8
271.02383	1.8
271.09769	2.7
300.02780	2.8
345.15439	3.3
357.11862	2.3
371.13162	9.6
371.17358	2.1
389.14307	2.4
399.13104	2.8
541.22357	3.1
553.23071	3.1
555.27704	2.9
579.20776	2.2
597.25446	13.6
615.16974	5.9
615.26428	100.0
616.27087	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	615.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69078	0.7
59.01365	1.0
61.98820	2.6
67.01888	0.9
68.99566	1.6
69.38887	3.0
69.39282	1.3
81.03477	1.2
81.18279	0.7
93.47012	0.7
96.95986	1.5
97.02982	1.0
99.00906	0.8
99.92599	2.0
110.36556	0.8
112.98608	1.2
115.92057	2.1
116.92876	3.0
123.04513	9.0
125.09746	1.2
137.02437	4.0
151.04013	19.1
165.05577	1.6
179.03505	100.0
180.03835	3.5
181.05130	3.4
193.05095	1.2
194.05847	71.6
195.06216	2.5
196.07458	5.5
197.08215	2.5
208.23723	0.7
209.08200	72.7
210.08557	2.6
211.09785	9.5
274.55881	0.8
408.89365	0.9
525.32452	1.0
615.22180	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3691
Annotation	(+)-Kopsoffine
Peak:m/z	Relative Intensity
65.72674	0.5
89.03960	0.4
99.92602	0.4
101.38160	0.3
116.46284	0.3
117.03472	33.0
118.03789	1.0
119.05041	8.0
121.02955	1.3
123.04531	0.7
133.02890	0.4
133.84650	0.3
145.02960	100.0
146.03314	3.9
158.41563	0.3
162.03305	0.5
163.04025	2.5
193.46799	0.3
215.68642	0.3
451.32169	0.9
495.31479	1.0
547.82391	0.3
571.37909	1.5
615.36896	97.6
616.37311	17.2
639.27924	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3691
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09134	0.3
54.01373	0.3
65.72664	0.5
111.04519	0.4
117.03472	25.1
118.03822	0.7
119.05036	8.3
121.02972	1.5
123.04485	0.6
128.04349	0.3
139.04030	0.4
145.02965	100.0
146.03299	3.2
162.03232	0.5
163.03963	2.7
165.09180	0.3
181.08722	0.7
183.06636	0.3
183.43910	0.3
190.94644	0.3
195.06645	0.8
209.08237	0.5
223.06082	0.5
224.06850	0.5
379.17593	1.8
451.32419	0.6
464.30130	0.4
495.31485	1.1
547.82227	0.4
569.36578	0.3
571.38062	2.5
571.46423	0.4
572.37762	0.4
615.36932	91.2
616.37268	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	615.3694
Annotation	Unknow
Peak:m/z	Relative Intensity
65.49975	0.8
72.65552	0.9
93.03467	0.7
95.55173	0.8
101.99374	0.8
112.84209	0.8
117.03483	16.4
119.05039	23.2
121.02954	2.9
123.04501	1.0
133.02969	2.5
134.72299	0.8
135.04510	0.8
145.02965	67.8
146.03322	2.2
161.02481	2.3
162.03156	1.0
163.04031	25.5
165.96185	0.9
187.48402	0.9
405.31702	4.6
406.32016	1.2
409.83337	0.9
465.84952	0.9
553.33154	1.3
555.34741	1.8
569.29492	0.9
569.36340	48.1
570.36755	7.3
571.37915	100.0
572.38220	16.4
606.00891	1.0
615.36920	86.5
616.37408	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	615.3694
Annotation	Unknow
Peak:m/z	Relative Intensity
65.49975	0.8
72.65552	0.9
93.03467	0.7
95.55173	0.8
101.99374	0.8
112.84209	0.8
117.03483	16.4
119.05039	23.2
121.02954	2.9
123.04501	1.0
133.02969	2.5
134.72299	0.8
135.04510	0.8
145.02965	67.8
146.03322	2.2
161.02481	2.3
162.03156	1.0
163.04031	25.5
165.96185	0.9
187.48402	0.9
405.31702	4.6
406.32016	1.2
409.83337	0.9
465.84952	0.9
553.33154	1.3
555.34741	1.8
569.29492	0.9
569.36340	48.1
570.36755	7.3
571.37915	100.0
572.38220	16.4
606.00891	1.0
615.36920	86.5
616.37408	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	615.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50151	0.5
57.03455	4.5
59.01387	0.6
61.98834	0.9
68.98791	3.4
69.03478	0.9
71.05022	0.5
80.02717	0.6
83.05042	1.4
85.06615	2.1
85.07071	0.4
95.05035	3.0
97.06593	14.2
109.06603	0.7
111.04529	1.3
111.08191	2.7
113.06094	1.5
113.09705	0.4
115.07686	0.5
116.92873	0.5
122.62547	0.4
123.08175	6.0
125.02538	0.4
125.09730	67.2
126.10101	1.9
127.11312	2.3
131.06392	0.4
131.07172	5.1
139.04051	0.6
139.11255	0.4
143.10793	2.1
145.02960	0.7
155.10878	0.7
157.12335	1.1
159.06642	1.7
159.10266	1.3
169.08716	1.9
171.10266	1.4
173.08188	1.5
175.12390	0.4
181.08745	0.9
183.06729	0.6
187.09773	33.2
187.60849	0.4
188.10077	0.8
195.06598	0.5
207.06691	0.7
209.08226	3.8
221.19112	6.9
222.19386	0.5
225.07649	1.4
239.09274	0.6
239.20151	1.1
257.21036	0.5
265.18082	3.8
283.19189	4.3
295.22702	1.5
301.10831	0.6
301.20166	4.4
313.20474	0.7
313.23868	10.4
323.86932	0.5
329.23178	1.4
331.24911	27.3
332.25171	2.1
343.39233	0.5
377.19669	1.2
379.17450	1.3
387.87201	0.4
395.09457	0.5
445.31348	0.8
465.32172	0.9
483.33231	4.6
501.34323	14.9
502.34564	1.2
597.26532	0.5
597.40118	1.4
615.41010	100.0
616.41382	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	617.1151
Annotation	Taxillusin
Peak:m/z	Relative Intensity
53.40473	1.5
57.03453	7.3
57.03670	1.4
61.98785	2.5
64.91505	1.7
65.00299	4.6
71.01357	2.6
71.28603	2.3
78.89328	1.6
80.86381	1.5
83.01386	3.5
87.00867	3.0
90.33183	1.6
90.35036	1.5
93.03427	2.3
95.01386	2.4
95.93810	1.4
96.95989	3.0
97.02950	1.7
106.50624	1.4
107.01401	23.9
107.04926	1.3
109.02913	4.5
111.00881	2.7
120.26163	1.6
121.02918	4.5
123.00887	10.3
123.04551	7.8
124.01660	4.1
125.02461	100.0
133.02905	4.8
137.02419	5.6
139.00339	5.6
139.03993	2.3
140.01126	1.9
143.01874	1.5
149.02449	12.3
150.03242	7.4
150.99417	2.0
151.00404	22.7
151.04024	43.8
152.01097	6.3
153.01854	2.8
153.66415	1.4
159.04497	1.6
161.02438	1.8
161.06015	1.9
163.00359	3.2
165.01933	2.0
165.05511	5.8
167.03383	5.2
168.00615	2.4
169.01448	62.7
170.01715	1.9
171.04474	1.6
174.03192	3.7
175.04019	10.4
176.01161	4.1
177.00542	2.9
177.01950	44.9
178.99820	6.1
179.03496	3.3
179.52065	2.0
183.03093	2.0
188.04681	2.6
189.05484	6.3
194.99373	17.7
195.06487	4.2
199.03864	4.8
211.02350	2.6
213.05595	1.8
216.04054	2.6
217.03407	1.4
217.05060	18.8
218.02119	5.5
218.05257	1.6
230.47870	1.8
230.84833	1.6
237.00232	1.7
240.07782	3.4
241.05199	8.6
243.02933	3.5
247.64096	1.5
256.03796	2.9
257.04504	2.4
258.05435	2.2
259.06100	14.8
261.90652	1.6
267.03363	1.7
284.03259	12.7
285.00751	2.7
285.04034	41.9
286.04373	2.2
297.97229	2.4
300.99844	3.8
303.04861	4.2
312.99802	3.6
313.05768	31.7
313.09137	5.6
314.00381	1.7
328.01993	2.3
332.11160	1.7
339.03528	3.5
339.07040	5.2
343.11728	2.1
391.13882	2.3
439.08676	6.4
447.08914	7.0
463.08557	4.2
465.10513	13.0
491.08353	60.6
492.08517	5.2
531.11066	3.6
555.11444	1.9
573.15039	6.9
579.52759	1.9
599.01831	2.5
599.10516	37.3
600.10443	3.3
616.94965	3.7
617.11072	69.6
618.11633	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	617.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.9
59.01393	4.7
61.98839	4.2
64.03510	0.6
69.03469	0.9
71.01405	3.5
71.28499	0.9
73.02931	0.7
78.72527	0.7
81.03456	2.3
83.01411	3.3
85.02953	0.8
89.02435	2.6
93.03470	2.1
95.01413	1.0
95.05053	2.4
96.96014	2.9
97.02953	5.0
101.02451	2.4
108.02190	2.2
109.02251	1.2
109.02964	20.8
113.02467	1.8
119.03474	1.0
121.02960	3.8
123.04538	12.9
124.04920	0.7
125.02464	18.0
126.02895	0.8
135.04514	2.5
137.02461	22.9
139.04001	3.1
141.00179	2.5
144.23804	0.7
145.02928	0.9
146.03682	1.0
149.02461	4.6
150.03236	1.7
151.04030	9.0
152.01187	3.2
153.01955	0.9
159.04521	2.4
161.02466	6.1
161.06058	4.1
162.03253	1.6
163.03993	1.5
164.01169	3.6
165.01956	8.0
165.05565	0.7
166.02664	1.1
167.03502	3.3
169.01443	3.1
174.03290	1.0
175.04030	2.1
175.07617	1.9
177.05591	1.2
179.03513	5.2
179.05772	0.8
185.06049	1.4
187.04037	5.1
188.04739	2.9
189.01917	1.8
191.03531	1.3
195.06567	1.1
202.06377	1.3
203.03445	0.8
203.07173	10.3
204.07535	1.3
205.05028	6.3
221.08194	2.0
227.07115	2.3
245.08214	16.1
246.08484	1.2
247.06151	1.2
271.05890	0.7
289.07205	100.0
290.07538	6.5
313.07114	1.4
327.05136	1.1
422.71985	0.7
433.11411	1.4
449.29462	0.7
451.12595	3.9
455.16946	1.2
465.10458	1.0
527.18329	0.9
581.31854	11.6
582.32135	1.4
617.11151	3.0
617.21906	5.9
617.31165	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	617.261
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85131	0.4
59.01382	0.7
61.98837	1.5
66.03726	0.5
71.29913	0.6
93.03462	3.7
95.01408	0.5
96.17275	0.4
96.96034	1.2
96.96967	0.5
109.02966	0.7
115.92088	0.6
116.92889	1.0
121.02957	3.8
122.03751	14.5
123.04538	1.1
124.01693	0.6
125.02476	1.5
126.85593	0.5
128.90187	0.6
130.18750	0.5
133.02948	1.3
135.04509	0.5
136.01663	1.0
137.02432	2.1
149.02455	20.5
150.03238	91.6
151.03575	2.3
164.04796	4.2
165.05582	100.0
166.05884	3.6
169.01448	0.5
175.03941	0.6
180.04300	6.7
181.05078	10.0
182.05823	3.7
195.06635	78.0
196.07367	10.7
197.08177	5.5
203.31183	0.4
209.08202	0.9
211.09750	17.0
212.10193	0.7
229.04967	0.7
270.68674	0.4
280.15887	0.5
328.02441	0.5
357.13406	2.6
359.85968	0.5
367.11661	0.8
519.33154	0.5
533.18103	0.5
563.21649	1.0
569.24060	6.0
570.24475	1.1
581.20337	0.8
617.23230	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.261
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24257	0.7
61.98842	6.5
69.40353	3.9
69.97907	0.7
71.01367	0.7
79.08871	0.8
93.03464	4.7
95.01367	1.7
95.05079	0.9
96.96011	1.8
109.02979	1.7
116.92828	0.7
121.02962	11.0
122.03762	14.3
123.04548	1.7
125.02449	2.3
132.02180	0.9
133.02962	2.6
134.03757	0.9
134.35588	0.7
136.01680	2.3
137.02467	5.5
147.04457	0.9
148.01682	1.3
149.02449	70.1
150.03236	98.1
151.03928	3.2
153.05627	2.2
154.63319	0.7
164.04803	16.5
165.05582	100.0
165.34888	0.7
166.05922	2.2
167.03494	1.1
169.01480	1.2
179.03496	1.3
179.07120	1.0
180.04288	6.4
181.05072	35.2
182.05847	13.6
195.06641	59.6
196.07416	37.7
197.08186	22.8
209.08150	1.2
211.09778	46.0
212.10191	2.4
250.04265	0.9
273.07758	1.5
327.12424	1.0
341.13907	1.2
343.11890	1.5
357.13452	10.0
358.13788	1.4
530.02924	0.7
554.21326	1.1
569.23901	54.2
570.24231	6.4
617.23871	1.4
624.65112	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13087	0.7
55.85314	0.6
68.23621	0.6
78.09548	0.7
93.03503	1.2
93.48136	0.6
99.53943	0.6
106.04255	1.1
109.02947	1.0
111.00872	0.9
117.03538	0.9
121.02942	3.5
132.02240	0.8
133.02979	19.8
134.03770	21.1
135.04556	4.7
137.02464	21.9
139.04039	8.3
145.02971	3.0
147.65358	0.6
149.02394	1.0
150.03249	2.3
161.02458	26.3
162.02875	0.8
173.06056	0.9
178.02745	10.4
179.03522	2.0
189.09224	1.8
232.36685	0.7
392.88123	0.7
455.35443	4.4
573.39459	6.1
582.90991	0.7
617.38477	100.0
618.38904	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54075	0.3
65.79697	0.6
69.35052	2.0
75.34343	0.3
82.38530	0.4
86.74516	0.3
108.44147	0.3
117.03475	24.5
118.03786	0.5
119.05051	5.5
121.02970	1.3
144.53485	0.4
145.02963	83.9
146.03305	3.1
163.04015	1.9
187.41176	0.4
253.76106	0.3
453.33813	1.0
497.32751	1.5
546.13092	0.5
617.38483	100.0
618.38806	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	617.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
65.79707	0.3
69.01025	2.6
74.58214	0.3
93.03452	0.4
96.96734	0.3
108.87501	0.3
115.77824	0.3
117.03481	9.9
118.03819	0.3
119.05022	3.2
121.02973	0.9
123.04642	0.2
132.02219	0.4
133.02965	7.2
134.03778	2.1
135.04535	2.3
137.02457	1.0
145.02968	32.2
146.03328	1.3
147.49582	0.3
150.03362	0.3
161.02458	16.9
162.02847	0.7
163.04027	0.8
178.33420	0.2
179.03485	1.3
194.30600	0.3
250.18407	0.3
358.13525	0.3
573.39563	5.3
574.39545	1.0
587.33868	1.6
617.38501	100.0
618.38855	15.2
618.49133	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
65.79695	0.5
71.27814	0.2
117.03473	29.9
118.03809	0.7
119.04132	0.4
119.05030	6.3
119.05840	0.4
121.02953	1.7
123.04522	0.5
133.02931	0.3
145.02960	93.1
146.03296	3.4
156.90196	0.3
162.03174	0.5
163.04027	1.5
199.43120	0.3
240.91969	0.3
453.33798	1.6
497.32858	0.9
546.13702	0.4
573.39722	1.7
617.38458	100.0
618.38788	17.0
618.49084	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25135	0.4
61.63113	0.4
69.10400	3.5
79.43089	0.4
102.82520	0.4
110.37114	0.4
115.01930	0.4
117.03479	1.3
121.02882	0.5
122.64931	0.5
133.02975	12.5
134.03763	5.5
135.04541	8.5
137.02448	4.1
139.04025	1.3
145.02989	4.6
150.03217	0.5
161.02452	29.7
162.02783	1.1
178.02742	1.6
179.03514	3.9
573.39520	37.1
574.39856	6.7
603.61572	0.5
617.38470	100.0
618.38855	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3849
Annotation	Tabernaebovine
Peak:m/z	Relative Intensity
58.23360	0.3
70.61090	0.7
70.61427	0.4
71.13857	0.4
80.63165	0.4
85.72877	0.3
88.33977	0.4
103.03158	0.4
110.41176	0.3
132.02180	1.0
133.02977	13.3
134.03754	2.7
135.04550	3.6
135.51103	0.4
135.94519	0.4
137.02419	1.7
161.02458	27.9
162.02780	0.8
178.02748	0.6
179.03549	1.5
215.59132	0.3
234.88156	0.4
358.12836	0.4
487.21960	0.4
573.39471	6.1
574.39948	0.7
617.38495	100.0
618.38861	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	617.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82763	0.6
58.72559	0.6
65.79709	0.7
70.40398	1.7
95.26529	0.6
98.21831	0.8
117.03481	27.3
118.03823	1.7
119.05032	7.4
121.02990	1.4
123.04496	0.7
124.42461	0.6
133.02975	1.0
134.03743	0.6
139.05971	0.6
145.02965	86.8
146.03319	4.2
147.03511	1.0
161.02483	1.2
162.03285	1.0
163.03999	1.7
181.08734	0.9
213.27699	0.7
225.07658	1.2
315.62903	0.6
439.55167	0.8
453.33841	1.4
497.32861	1.3
546.13574	0.9
573.39899	1.0
617.38458	100.0
618.38763	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3848
Annotation	Tabernaebovine
Peak:m/z	Relative Intensity
52.84926	0.2
71.79026	0.2
74.34338	0.2
91.75139	0.2
93.03526	0.2
97.13625	0.2
102.66000	0.2
121.03008	0.4
132.02185	0.6
133.02975	14.9
134.03787	3.6
135.04549	4.2
137.02473	1.8
139.04021	0.7
161.02458	33.8
162.02856	1.0
168.04691	0.2
178.02728	0.5
179.03548	1.3
213.90446	0.2
228.76062	0.2
587.33661	0.5
617.38501	100.0
618.38837	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	617.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89555	0.6
80.41253	0.6
98.21716	1.1
104.60188	0.7
117.03488	26.6
119.05041	11.6
121.02991	2.4
123.04566	1.0
133.02937	3.3
134.03712	0.8
145.02968	77.7
146.03340	2.2
147.04584	1.6
148.86267	0.7
161.02475	4.6
161.03586	0.7
162.03252	1.0
163.04021	7.5
202.11539	0.7
422.25705	0.7
432.83804	0.8
453.33801	1.1
553.36987	7.0
555.38647	8.6
556.39087	2.1
569.32648	1.6
573.39948	1.0
599.37415	21.7
600.37451	4.5
617.38550	100.0
618.38940	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.385
Annotation	Tabernaebovine
Peak:m/z	Relative Intensity
70.61344	0.9
72.04319	0.5
78.38721	0.4
109.05271	0.5
127.64709	0.5
132.02168	0.6
133.02971	15.8
134.03790	3.2
135.04532	4.5
137.02473	1.8
161.02463	25.8
162.02837	0.8
178.02745	0.7
179.03500	1.6
188.38025	0.5
573.39282	3.1
574.39948	0.7
617.38483	100.0
618.38788	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	617.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32191	0.4
65.79675	0.5
68.88576	0.3
69.20648	2.3
91.54995	0.4
117.03480	24.4
118.03780	0.5
119.05043	8.5
121.03011	2.2
123.04512	0.6
133.02986	2.2
134.03801	0.5
135.04562	1.1
137.02504	0.5
145.02971	100.0
146.03333	3.3
161.02441	5.0
162.03238	0.5
163.04036	1.5
179.03455	0.4
247.32809	0.4
250.83495	0.4
337.74899	0.4
573.39655	11.8
574.40228	1.4
608.82373	0.4
617.38599	76.5
618.38989	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	617.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60772	0.3
59.30195	0.2
61.98824	0.5
82.03761	0.2
98.22635	0.5
111.08167	0.6
117.03473	15.3
119.05033	2.3
121.02952	1.0
133.02959	2.9
134.03761	0.7
135.04518	1.1
137.02531	0.4
145.02962	50.7
146.03336	1.6
147.04558	0.6
158.88281	0.3
161.02454	6.3
162.02899	0.3
163.04027	1.3
173.08269	0.5
179.03566	0.5
198.22665	0.2
213.21072	0.3
251.23827	0.5
304.34174	0.3
313.23965	0.6
341.49844	0.3
445.57581	0.3
471.34656	0.3
486.20145	0.3
573.39960	1.4
617.38562	100.0
618.38922	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	618.4377
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46486	29.6
51.26497	27.9
51.64412	33.4
57.48941	36.9
67.61889	32.6
70.47177	68.1
70.47515	59.0
107.05731	36.2
107.42101	32.5
161.02460	42.6
193.84186	35.0
430.88666	39.3
618.38733	100.0
622.57617	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	618.438
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32339	19.1
61.98826	100.0
63.68963	19.3
64.48402	17.5
85.58003	21.6
86.25007	20.5
170.97914	21.1
202.34467	19.6
219.97542	23.3
407.70401	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.0944
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18034	0.6
59.01380	1.0
61.98826	1.2
65.00321	0.8
67.01885	1.2
69.03461	2.4
71.01380	2.2
71.28363	0.9
72.99324	0.7
78.95897	0.6
79.01889	1.3
81.03450	1.4
83.01394	1.1
84.98380	0.5
85.02964	1.5
87.00911	0.8
88.98798	1.4
93.03468	1.3
95.01396	3.1
96.96019	3.6
96.96999	0.6
97.02951	2.5
101.02448	1.5
101.20186	0.6
107.01397	10.0
108.02187	18.2
109.02362	0.9
109.02970	9.6
111.00882	2.5
112.97374	0.5
113.02457	1.7
114.93423	1.1
116.92884	0.6
120.99681	0.9
121.02982	1.3
123.00899	14.2
123.04546	2.6
124.01684	2.6
125.02460	62.3
126.02776	2.0
127.00351	1.1
135.00949	1.0
135.04491	0.8
136.98817	1.4
137.02469	3.1
139.00386	4.9
140.01192	4.5
141.01938	2.2
145.03001	0.7
149.02422	2.1
150.03181	3.0
151.00395	8.3
151.03996	1.4
152.01176	18.8
153.01958	8.8
153.05611	1.6
154.01996	0.6
159.04497	1.0
161.02383	1.1
163.03995	1.1
164.04762	1.5
165.01932	0.7
165.05545	2.1
166.99881	2.4
167.03532	1.6
168.00667	7.0
169.01443	75.0
170.01796	2.3
175.04022	1.5
177.01947	2.1
179.03482	1.8
179.07086	1.3
181.01393	1.1
183.97050	0.6
191.03519	0.8
193.01468	1.1
193.98572	5.7
194.99423	4.1
195.03009	0.9
195.06622	1.4
210.45531	0.6
211.02473	1.7
215.03499	1.1
223.02591	0.8
227.03662	0.9
229.01309	1.1
231.03171	0.9
237.04063	2.0
243.02998	1.1
249.04062	1.0
253.03572	1.1
261.04169	1.0
287.02042	1.4
295.04572	2.6
297.06256	2.8
300.99951	2.6
313.05701	12.7
314.06161	0.7
315.07324	1.4
396.41046	0.7
423.09467	8.5
424.09470	1.3
431.06403	1.0
449.07266	7.3
456.77222	0.7
465.06696	2.5
467.08167	12.6
468.08835	1.0
504.95444	0.6
526.17505	0.6
575.10400	9.1
576.10852	0.9
601.08411	7.4
602.08740	0.9
619.09387	100.0
620.09735	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	619.0945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95243	1.1
59.09697	0.8
60.88693	0.9
64.21275	0.8
69.03471	1.0
71.01381	3.4
72.21301	0.9
79.01902	1.0
85.02959	1.5
87.00864	1.0
93.03477	1.0
94.18395	0.9
95.01414	2.9
96.96024	25.7
97.02962	2.4
98.22648	1.1
101.02448	1.1
107.01389	8.1
108.02189	18.5
109.02970	8.0
111.00877	2.4
113.02480	1.1
121.02990	1.9
122.03766	0.9
123.00909	10.7
123.04543	1.5
124.01689	1.8
125.02468	48.0
126.02752	1.1
127.01354	0.8
135.04572	1.0
136.98790	1.4
137.02487	3.9
139.00383	4.2
140.01163	5.0
141.01865	1.4
149.02454	3.3
150.03217	2.2
151.00397	7.5
151.04005	1.8
152.01183	26.0
153.01947	10.3
163.04002	1.4
164.00867	0.9
164.04762	1.1
165.01976	1.3
165.05635	2.6
166.99855	2.2
167.03416	1.1
168.00652	6.6
169.01442	68.0
170.01767	2.1
177.01945	1.0
179.03566	2.9
180.04257	0.8
193.01453	3.0
193.98593	3.7
194.05945	1.1
194.99416	2.3
195.06650	2.0
209.08171	1.0
211.02438	4.7
215.03479	1.0
223.02434	1.0
227.09273	2.1
229.83377	0.9
231.02910	1.1
253.03574	1.4
279.05203	0.9
295.04556	1.9
297.06140	3.3
300.99945	1.6
313.05634	16.9
315.07312	1.0
343.11703	1.9
356.44312	1.0
405.08313	1.7
423.09378	4.6
449.07452	2.5
465.06708	18.4
466.06851	0.9
467.08249	4.6
522.55884	1.1
575.10590	15.6
576.10974	1.3
601.08575	3.0
619.09448	100.0
620.09753	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	619.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	6.0
59.01341	1.2
67.31120	0.9
69.03442	1.5
69.38699	5.4
71.01372	2.2
81.03441	3.2
83.01402	7.7
93.03480	2.8
95.01400	3.6
95.05013	2.2
97.02948	6.4
99.04510	1.1
101.02393	0.9
107.01414	6.8
109.02955	9.5
111.00887	1.3
111.04519	1.7
113.02449	1.1
120.99675	3.4
121.02963	3.6
123.00906	10.3
123.04533	4.1
124.01694	4.3
125.02459	100.0
126.02813	1.9
133.02939	1.5
135.04532	1.4
137.02464	30.3
138.03194	3.8
139.00409	2.0
139.04033	20.0
140.01178	1.2
147.04602	1.1
149.02448	4.3
149.06041	2.4
151.00377	3.1
151.03999	5.1
153.01910	2.2
155.03499	1.4
159.04524	2.8
161.02458	10.1
162.03218	1.2
163.00436	1.5
163.04019	2.6
164.01137	5.0
165.01935	23.1
166.02640	2.7
167.03510	71.2
168.00688	2.6
168.03862	1.2
169.01440	43.1
170.02145	2.2
171.04471	0.9
173.06065	1.4
174.03191	1.3
175.04057	6.6
176.04810	1.4
177.01955	12.5
177.05611	6.0
178.02646	3.5
179.03514	15.6
180.73102	1.0
189.01857	1.6
191.03476	3.4
191.07143	2.1
193.01434	1.1
199.03999	1.5
201.05591	2.6
203.03510	6.5
204.04259	3.7
205.56258	1.0
211.02484	4.1
215.07182	1.8
217.01456	1.3
217.05064	2.5
218.05847	1.9
219.03185	1.5
219.06647	18.8
220.03745	2.0
221.04562	14.2
225.05545	1.4
227.03474	1.1
229.01439	1.3
231.03075	1.0
237.07687	5.4
243.02965	1.3
243.06609	3.6
243.93765	1.3
245.04536	3.9
249.04074	2.7
250.04446	1.4
257.00803	1.6
260.06894	1.1
261.04773	1.9
261.07703	21.5
263.05710	6.9
269.04343	1.3
271.04535	5.0
275.01968	2.9
287.05374	4.3
289.07156	2.5
298.98196	1.4
300.99924	13.3
302.00226	2.2
304.05908	2.0
305.06708	43.5
306.07272	1.9
306.43457	0.9
313.05704	17.8
329.08862	5.8
331.06833	1.1
383.09766	1.2
414.52231	1.0
423.13013	5.0
439.09036	1.3
449.10815	1.3
451.09048	1.7
467.11975	51.5
468.12704	4.4
481.09894	24.8
535.11035	3.2
575.13812	2.7
601.11938	1.8
619.13043	84.1
620.13416	9.6
649.93024	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62936	0.7
59.01366	2.7
61.98820	1.0
65.00322	1.0
67.01896	0.8
69.03155	4.1
69.03548	1.6
69.36269	0.6
71.01387	3.5
72.99308	0.9
73.02936	1.2
79.01894	1.0
83.01378	1.0
85.02922	1.6
87.00865	1.1
89.02451	1.3
95.01396	3.0
96.96017	0.9
97.02972	1.2
101.02457	2.4
107.01398	10.6
109.03021	1.0
111.00890	3.6
111.04533	2.0
113.02503	1.7
113.54656	0.7
115.92059	0.7
116.92834	1.0
119.03606	0.7
123.00904	12.1
124.01656	2.2
124.15558	0.7
125.02460	38.3
126.02787	0.7
127.00392	1.6
136.98845	2.0
138.03186	0.7
139.00423	4.7
140.01172	6.3
141.01964	0.7
147.73558	0.8
151.00397	8.0
163.04071	0.7
165.05585	0.8
167.03603	0.9
168.00652	7.5
169.01442	42.9
170.01848	1.4
171.98943	0.8
175.56931	0.8
179.07121	1.6
181.01389	1.1
181.08681	0.6
182.02168	0.8
183.06598	4.2
195.06636	3.1
207.06715	1.0
211.02495	2.2
217.05006	1.5
218.05818	2.1
219.06775	1.0
225.07722	11.3
233.08249	4.7
237.07738	11.1
238.07906	0.9
261.07715	11.4
262.07895	0.9
271.04428	1.2
273.07559	0.9
291.08847	2.5
296.10495	1.1
305.78998	0.6
311.12946	6.1
313.05786	1.9
357.26617	0.9
369.09564	0.8
381.11990	11.2
382.12289	1.5
449.17923	1.0
457.33374	8.1
467.19275	31.3
468.19595	4.0
582.11188	0.8
601.19177	1.8
608.99066	0.8
619.20355	100.0
620.20697	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	619.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.9
59.66902	0.4
61.98827	0.9
65.00315	0.8
67.01861	0.6
69.03471	0.4
71.01387	2.4
72.99291	0.5
73.02950	0.9
79.01906	0.6
81.03473	0.5
83.01414	0.7
85.02939	1.1
95.01387	1.4
96.95997	1.2
97.02941	1.4
99.00878	0.9
101.02455	1.6
107.01395	8.9
107.49685	0.4
111.00896	2.7
113.02467	1.0
123.00882	11.7
124.01672	1.0
125.02454	37.2
126.02771	0.5
127.00401	1.2
136.98805	1.4
139.00377	5.3
139.04019	0.5
140.01161	5.0
141.01932	1.8
143.12137	0.4
151.00374	8.6
161.15860	0.5
166.99873	0.7
168.00671	7.1
169.01433	43.3
170.01799	1.6
179.03426	0.4
181.01439	0.8
181.05122	0.6
205.05090	0.5
211.02470	2.9
271.04568	1.7
273.46887	0.5
313.05646	2.2
358.60605	0.5
449.18256	0.8
467.19226	39.3
468.19327	3.3
611.83411	0.5
619.20331	100.0
620.20813	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	619.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24302	0.4
55.01876	0.5
59.01368	1.4
67.01880	1.1
68.99818	0.5
69.03455	0.8
69.46577	1.9
71.01373	1.8
72.99294	0.8
73.02935	0.8
75.66898	0.3
79.01900	1.0
81.03462	0.5
83.01394	0.9
85.02961	1.6
87.00862	0.7
95.01376	2.2
97.02937	1.1
98.22487	0.8
101.02441	1.4
107.01395	11.4
109.02999	0.5
111.00879	3.8
113.02455	0.8
123.00899	12.7
124.01712	2.5
125.02454	41.3
126.02743	1.0
127.00377	1.7
132.88663	0.4
134.32309	0.4
136.98854	2.2
139.00400	6.6
140.01172	6.1
141.01978	1.9
141.07559	0.4
148.14839	0.5
151.00380	11.0
153.01926	0.4
163.04024	0.8
168.00658	8.0
169.01439	48.1
170.01804	1.6
181.01479	0.5
181.05064	0.9
193.05020	0.5
207.02980	0.4
211.02509	4.3
226.31412	0.4
253.03374	0.5
271.04733	2.6
285.97107	0.4
313.05640	2.4
449.18481	1.0
467.19232	43.6
468.19565	4.5
492.30988	0.4
619.20343	100.0
620.20630	11.4
644.24292	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27743	2.3
55.19179	2.0
59.01387	10.5
59.71388	1.9
61.98844	5.4
66.02790	1.9
69.03476	2.0
69.19334	11.1
71.01399	10.4
71.15538	2.1
73.02951	2.8
75.96334	2.2
85.02978	3.4
88.45583	2.0
89.02462	4.2
95.01427	3.3
96.96027	13.7
99.04542	3.0
101.02462	4.6
107.01425	5.9
109.03040	3.1
109.06637	4.8
113.02464	6.4
119.03579	2.6
121.02946	2.6
123.00908	15.3
125.02463	56.9
135.98302	2.0
137.02426	2.7
139.00404	5.9
140.01242	2.3
151.00345	12.0
151.04031	3.8
153.05545	2.5
161.02507	2.2
165.01956	3.1
167.03555	2.1
168.00664	6.3
169.01439	62.1
179.90948	1.9
211.02551	12.6
213.94847	2.2
218.06079	2.6
233.08202	2.5
260.38452	2.4
261.07632	10.1
271.04477	10.7
291.08847	2.1
295.04611	3.5
313.05515	18.0
381.11896	10.8
439.18759	3.0
443.10202	3.2
465.06677	12.4
485.16745	5.9
583.23938	100.0
584.24518	16.8
619.13049	39.7
619.23456	5.9
620.13385	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	619.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
66.66404	13.2
67.35470	13.3
69.03036	100.0
94.28798	13.6
96.96021	62.2
109.02915	16.4
116.92906	14.4
123.00933	18.0
125.02504	71.6
130.23824	14.0
136.86977	12.9
137.02480	22.3
140.03207	12.8
161.02446	42.0
165.01973	27.1
169.01488	40.9
177.01993	23.7
179.03412	15.0
180.04199	18.5
181.05045	24.2
182.02164	16.0
195.06604	17.5
196.07411	16.9
197.04550	42.5
211.06204	17.3
211.09772	28.0
212.89955	13.4
220.15602	15.2
228.79300	14.3
289.06876	16.2
299.98474	17.8
397.95975	27.9
412.98312	59.9
619.12054	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	619.2563
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
53.45016	0.9
56.46833	0.8
57.69167	0.8
71.10972	0.8
71.28455	1.3
74.84557	0.8
78.95912	3.2
111.04571	1.0
116.92793	1.0
152.99609	0.9
161.02390	1.1
181.08704	6.6
199.46117	1.0
209.08217	1.3
255.23271	0.9
262.82553	1.1
303.92618	1.0
383.11362	22.9
383.16013	1.4
384.11890	1.5
401.14178	2.2
415.15555	3.2
416.16431	12.8
417.16818	2.0
429.17548	2.0
430.18008	3.1
431.18768	1.9
444.15793	1.8
458.17477	1.5
459.18286	100.0
460.18588	11.9
473.19876	16.4
474.20273	5.8
485.16153	1.4
487.18188	1.0
501.18997	2.2
503.17172	2.4
517.19208	1.0
518.19562	50.6
519.19775	4.8
532.21118	9.0
533.21960	100.0
534.22272	12.0
587.22742	6.5
619.25659	89.4
619.37512	3.3
620.26062	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	619.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.2
61.98542	0.6
61.98838	4.0
69.97987	2.3
71.01385	0.7
75.00883	1.0
81.22895	0.7
85.06612	0.7
93.03463	0.5
99.92587	1.0
111.04555	1.0
117.03476	25.4
117.04308	1.3
119.05029	7.1
121.03003	1.7
123.04551	1.0
133.02963	1.9
135.03011	0.7
145.02966	88.2
146.03262	3.2
149.06151	0.7
151.07654	1.3
160.01634	0.9
160.84276	1.6
161.02480	1.1
162.83916	2.5
163.04086	3.8
165.05568	0.8
179.07123	0.8
181.08722	2.2
195.06647	0.8
207.06656	1.2
209.08325	1.5
225.07680	4.1
233.04526	0.7
257.07483	0.6
263.12823	0.5
265.79950	0.7
323.04520	1.6
349.93118	0.7
455.31689	2.4
499.30493	0.9
575.37640	1.3
601.38617	1.3
619.36420	100.0
620.17151	1.5
620.36841	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	619.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68905	0.7
55.17360	0.6
57.66200	0.6
61.98825	2.0
69.17714	4.5
92.92839	0.8
116.92903	1.3
117.03483	3.8
119.05043	1.2
121.02937	0.7
132.05392	0.6
133.02969	15.7
134.03822	3.0
135.04570	4.8
137.02467	2.7
139.03999	1.0
145.02974	14.5
161.02460	37.6
162.02821	1.3
178.02771	1.2
179.03479	1.6
180.22580	0.6
315.93942	0.6
323.52432	0.6
468.81000	0.7
601.35632	2.4
619.36444	100.0
620.36792	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	619.364
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88050	0.7
61.98803	2.9
63.42160	0.7
70.97733	0.7
86.77756	0.7
93.03458	0.9
96.95996	1.4
98.22533	2.2
98.72189	0.8
116.92828	1.5
117.03451	2.2
121.02885	1.3
133.02975	16.5
134.03766	5.0
135.04575	6.7
137.02394	3.1
139.03963	1.7
145.02954	8.5
161.02458	49.9
162.02686	3.1
168.95818	0.8
178.02647	1.1
179.03394	2.5
309.23804	0.9
471.34164	0.8
601.35217	3.8
619.36804	100.0
620.37000	14.9
632.48022	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67500	0.3
61.98832	0.5
69.04987	0.7
69.05389	1.6
78.55921	0.3
96.96016	0.4
102.25666	0.3
105.03431	0.4
117.03493	0.5
121.02998	0.4
132.02182	1.1
133.02969	17.9
134.03777	3.7
135.04549	4.5
137.02423	2.7
139.03989	0.7
141.31203	0.3
145.02957	0.3
161.02455	46.3
162.02802	1.9
163.03989	0.3
178.02667	0.4
179.03528	1.7
249.36209	0.3
357.44727	0.3
601.35291	2.3
602.35358	0.5
619.36414	100.0
620.36816	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	619.3644
Annotation	Coccinone C
Peak:m/z	Relative Intensity
53.50168	0.2
57.03467	0.2
61.98829	0.2
67.26048	0.2
97.06346	0.2
98.22523	0.7
105.03470	0.4
111.00862	0.3
117.03465	0.3
121.02960	0.5
132.02168	1.0
133.02965	18.2
134.03786	4.0
135.04538	6.1
136.04881	0.2
137.02449	2.9
139.04004	0.9
145.02988	0.6
150.03218	0.4
161.02454	37.5
162.02809	1.3
165.01740	0.2
178.02692	0.9
179.03467	2.0
196.78439	0.2
381.20566	0.3
423.32626	0.4
439.32092	1.0
465.45059	0.2
469.33243	0.3
489.30035	0.4
537.32526	0.3
575.37408	6.6
576.37433	0.9
601.35181	0.2
619.36359	100.0
620.36731	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.2
61.98833	7.1
65.86572	0.7
69.52203	2.4
71.01369	0.6
75.38847	0.5
85.83507	0.6
86.64297	0.5
96.95972	0.8
98.14797	0.5
99.92561	0.8
115.92072	0.6
116.92845	0.6
117.03477	25.6
119.05050	4.6
121.02985	0.7
125.02451	0.7
143.60492	0.5
145.02966	85.4
146.03322	3.3
160.71666	0.5
161.02437	0.6
162.50110	0.5
163.03978	2.5
169.01500	0.7
174.43155	0.5
207.70004	0.6
575.37518	11.4
576.37921	1.7
619.36456	100.0
620.21503	0.8
620.26233	1.0
620.36731	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	619.3643
Annotation	Coccinone C
Peak:m/z	Relative Intensity
56.95309	0.4
59.01357	0.5
61.98822	1.4
64.50961	0.4
65.86592	0.6
69.61464	0.7
69.61840	1.9
69.64067	0.3
71.01373	0.5
93.85432	0.4
99.92572	0.4
114.07357	0.4
115.92059	0.6
116.92865	0.6
117.03472	23.2
119.05048	3.8
121.02968	0.9
123.04534	0.8
133.03055	0.4
139.04021	0.4
145.02962	82.9
146.03290	2.6
147.04541	1.0
162.03331	0.5
163.04012	2.1
168.00613	0.4
169.01445	0.5
169.06381	0.5
181.08707	1.0
209.08148	0.7
225.07722	1.4
287.27036	0.4
304.51007	0.4
397.43814	0.4
521.44409	0.4
536.09283	0.5
544.49420	0.6
545.20850	0.4
575.37329	8.8
576.37939	1.3
619.36420	100.0
620.36792	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	619.4006
Annotation	3beta,23,28-Trihydroxy-12-oleanene 23-caffeate
Peak:m/z	Relative Intensity
50.67430	0.4
55.42250	0.4
70.92428	0.7
77.17622	0.4
121.02947	0.5
133.02972	17.0
134.03781	4.2
135.04536	5.5
137.02435	3.5
139.04048	0.6
161.02455	41.6
162.02826	1.7
178.02785	0.5
179.03516	1.6
203.33374	0.4
381.90796	0.5
589.39008	3.6
619.40082	100.0
620.40344	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	619.4006
Annotation	3beta,23,28-Trihydroxy-12-oleanene 23-caffeate
Peak:m/z	Relative Intensity
53.92996	0.3
58.73169	0.4
61.98844	0.8
96.96040	0.5
99.05151	0.4
108.12792	0.4
117.03520	0.6
121.03002	1.0
133.02969	16.8
134.03799	3.4
135.04543	5.6
137.02448	2.8
139.04060	0.9
145.02998	0.5
146.44345	0.4
150.03229	0.4
161.02458	39.6
162.02785	1.7
162.83952	0.7
179.03529	1.7
229.02892	0.5
455.31818	0.5
499.32153	0.4
537.32037	0.7
592.99762	0.4
619.40198	100.0
620.40491	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	619.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61848	0.4
69.20520	2.2
69.20946	1.0
70.63589	0.5
71.43468	0.4
75.63905	0.4
79.40408	0.4
84.92494	0.4
87.89360	0.4
88.16272	0.5
89.03924	0.4
98.21829	0.9
99.83253	0.4
117.03522	1.4
121.03001	1.0
133.02971	18.6
134.03783	3.6
135.04538	4.6
137.02454	2.1
139.04065	0.8
145.03032	1.6
146.03291	0.5
161.02460	43.9
162.02859	1.7
168.00404	0.4
178.02864	1.2
179.03583	1.8
182.32031	0.4
184.01489	0.4
278.01126	0.4
538.71405	0.5
575.40723	0.7
595.19299	0.5
619.40204	100.0
620.40503	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	619.4001
Annotation	3beta,23,28-Trihydroxy-12-oleanene 23-caffeate
Peak:m/z	Relative Intensity
59.46749	0.4
61.98797	0.8
66.48515	0.4
69.02699	3.0
69.03109	0.6
70.63539	0.5
93.03474	0.8
96.95988	0.8
104.86537	0.4
105.03436	0.6
109.02914	0.4
117.03478	4.2
119.05016	1.5
121.02965	13.9
122.03307	0.5
123.04533	0.7
132.02196	0.8
133.02968	25.7
134.03780	4.9
135.04541	7.9
137.02449	3.5
139.04033	1.3
145.02962	6.1
146.03276	2.0
150.03218	0.6
161.02455	58.5
162.02789	2.8
163.04033	0.8
178.02771	1.4
179.03525	2.7
213.69423	0.5
239.63605	0.4
252.84460	0.5
253.57408	0.4
369.71625	0.5
575.41626	1.1
589.35828	1.0
601.36157	0.6
619.40125	100.0
620.40503	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	619.4004
Annotation	3beta,23,28-Trihydroxy-12-oleanene 23-caffeate
Peak:m/z	Relative Intensity
54.99472	0.4
60.81181	0.4
61.70098	0.4
61.98826	0.4
69.02956	4.1
87.28665	0.4
98.21722	1.0
111.38834	0.5
112.98075	0.5
117.03481	8.0
118.03813	0.9
119.05073	1.6
121.02914	2.3
123.04604	0.6
133.02968	9.5
134.03757	3.5
135.04517	3.4
137.02464	2.4
145.02963	20.5
146.03320	2.9
147.03542	0.6
161.02454	21.6
162.02838	1.1
163.03996	0.9
166.26979	0.5
177.09877	0.5
178.02686	0.8
179.03493	0.9
199.98701	0.5
379.48904	0.5
455.35910	0.7
469.45502	0.5
575.40912	2.6
576.41095	0.7
619.40131	100.0
620.40430	13.2
632.19733	0.6
636.16803	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.5
61.18476	0.9
61.98832	7.4
69.03447	3.2
69.22928	5.7
71.01387	4.2
79.01874	1.3
81.03474	0.9
85.02972	1.8
93.03458	1.9
95.01392	2.4
96.96005	1.8
97.02958	1.6
101.02440	1.9
107.01402	8.4
107.20172	0.7
108.02183	2.9
109.02962	4.8
111.00906	1.6
113.02478	1.5
121.02966	2.5
123.00896	8.1
124.01670	1.2
125.02455	40.5
126.02789	1.0
133.12569	0.8
136.98827	0.9
137.02470	4.5
139.00386	2.7
140.01143	3.0
149.02406	1.0
151.00391	7.9
152.01178	1.2
153.01952	5.4
161.02483	1.3
165.01933	1.0
168.00647	4.0
169.01434	60.3
170.01768	1.9
177.01926	1.5
179.03520	0.9
195.02995	0.9
197.06073	3.6
211.02492	1.1
213.05580	1.0
215.07079	1.0
215.32991	0.7
241.03543	2.3
242.05930	1.8
243.06599	4.0
287.28494	0.9
297.05942	1.1
300.99661	1.7
305.93707	0.8
313.05676	14.6
314.05804	0.9
343.60504	0.8
449.07004	1.7
466.07422	1.2
545.18213	0.9
557.13007	100.0
558.13525	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	621.0165
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07187	0.7
69.36072	0.8
71.29028	1.0
73.27190	0.7
95.01396	3.7
96.96026	0.9
102.78451	0.7
109.02988	1.2
121.02988	1.0
123.00887	4.8
125.02444	5.9
126.02842	0.7
137.02441	2.1
139.00360	1.2
139.04010	1.2
151.00359	1.5
151.04024	1.0
161.02382	1.4
165.01932	1.4
166.99861	10.2
167.03534	0.9
169.01469	4.4
172.01692	2.1
173.02448	1.0
177.01920	1.9
185.02367	2.3
186.40347	0.8
200.01099	1.2
201.01909	2.1
208.55893	0.9
214.99963	1.2
216.00601	2.3
228.00609	4.0
229.01358	3.3
242.99321	2.6
244.00063	3.2
245.00818	1.1
249.03996	3.3
250.04251	1.3
257.00797	1.7
270.98868	14.4
271.99557	3.2
273.00211	1.0
275.02045	3.9
282.98837	3.0
283.99597	2.6
298.98376	23.4
299.99121	49.5
300.99905	100.0
302.00311	8.4
305.06796	1.4
310.93915	0.8
355.05862	0.8
362.10803	1.0
367.05124	0.9
425.01529	33.0
426.01810	2.5
450.99448	2.7
466.61377	0.8
469.00525	26.9
470.00885	1.8
481.59976	0.8
558.22430	1.0
558.46552	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	2.3
63.09931	0.1
66.51186	0.1
71.01379	0.1
79.63402	0.1
91.17477	0.1
96.96019	0.2
99.92591	8.6
100.92616	0.2
100.93320	0.1
109.02922	0.1
114.93421	0.3
116.92870	100.0
117.92882	3.9
125.02486	0.4
137.02521	0.2
139.03984	0.1
139.15620	0.1
147.04509	0.2
163.04053	0.1
169.01346	0.2
243.06612	0.4
331.05878	0.1
359.05432	0.2
377.06638	0.4
503.13528	0.4
521.46002	0.1
567.03729	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
65.96852	1.0
71.04774	1.3
82.82164	1.1
83.01382	1.7
95.01345	1.2
95.68448	1.0
97.02959	1.4
98.72880	1.1
102.26160	1.0
103.93153	1.1
109.02969	2.4
120.99667	100.0
121.02950	1.8
123.00851	1.4
123.04536	1.1
125.02458	9.7
137.02443	5.6
139.04019	1.6
147.04497	1.0
149.02451	1.2
151.00446	1.3
151.03990	1.2
159.04498	1.4
161.02408	2.2
163.00409	2.7
165.01904	2.0
167.03473	2.1
169.01440	4.6
177.01926	2.9
205.01489	1.2
205.04988	2.0
229.01526	1.3
231.02969	1.5
242.10995	1.1
245.08083	1.2
249.03992	2.1
270.98624	1.1
275.01978	3.9
289.07281	4.3
299.99124	2.5
300.99924	10.9
302.00208	3.2
315.05197	4.1
333.06165	9.1
599.42535	1.2
621.13196	1.6
640.27643	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75956	0.8
53.09909	0.8
60.71518	0.8
62.35413	0.9
67.15246	0.9
68.70684	0.9
78.34528	0.9
78.95891	3.7
81.03436	2.9
83.01382	1.1
109.02915	1.4
109.06598	1.5
111.04553	4.6
113.09732	2.5
114.44860	1.0
125.02415	4.2
133.06552	0.9
133.90958	0.9
137.02454	12.3
151.07661	16.3
163.00383	1.7
163.07497	1.0
166.02725	2.1
179.07111	3.1
181.05095	1.9
181.08720	13.7
189.05637	4.7
193.05031	0.9
195.06639	51.4
196.06929	1.9
207.06639	100.0
208.07059	3.7
209.08159	3.8
221.11789	1.7
222.08984	2.0
223.09720	4.2
255.23396	1.3
285.07635	5.0
327.08652	4.0
343.15558	4.5
352.09344	1.0
355.11890	28.1
356.12177	2.1
367.11868	43.5
368.11945	2.7
369.13345	2.4
371.14877	2.7
371.25858	2.5
381.13626	1.0
385.12616	1.5
385.16550	12.5
385.20374	2.2
385.27289	1.6
410.68604	1.0
413.19751	42.0
414.19928	3.8
425.19717	37.3
426.19949	2.7
427.21115	5.2
437.15469	0.9
439.21347	1.6
441.57202	1.1
454.40356	1.0
533.29053	1.2
621.26935	61.6
622.27332	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	621.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30562	0.4
55.78986	0.4
60.87970	0.4
70.77616	0.9
81.03468	3.7
83.01382	1.2
85.06594	1.0
87.04532	0.7
93.03445	0.5
98.60861	0.4
109.02957	0.9
109.06623	2.5
109.45556	0.4
111.04527	4.1
123.08167	0.5
125.02460	4.3
127.07668	0.7
133.06618	0.9
136.05272	0.9
137.02444	6.2
138.02823	0.4
151.00323	0.6
151.07658	24.3
152.01062	0.4
152.08011	0.8
163.00421	0.9
177.05574	0.8
179.07158	0.9
181.08694	4.2
189.05545	2.6
195.06630	100.0
196.06953	4.0
207.06631	47.6
208.06892	2.1
209.08200	1.7
285.07761	0.9
289.81235	0.4
289.84372	0.5
302.66055	0.4
311.05634	0.5
327.08740	1.4
328.09573	0.4
337.10629	1.2
350.56873	0.4
355.11880	25.6
356.12164	1.8
367.11774	1.3
369.13593	0.7
385.12628	0.4
385.16565	11.9
385.24011	0.5
386.16895	1.2
413.19696	41.5
414.20111	4.0
425.19766	3.4
427.21368	2.3
519.35236	0.4
561.32306	2.0
621.26929	6.1
622.29071	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.5
66.69185	0.3
69.34702	0.3
69.34989	2.3
70.17717	0.3
78.95906	2.0
83.05043	0.5
95.05018	0.5
97.02963	0.7
108.02209	0.3
109.02934	0.5
111.04511	0.4
111.08160	0.3
113.09722	4.9
123.04556	0.5
123.08169	0.7
125.06089	1.3
137.02477	1.2
138.03227	5.1
139.03986	2.4
149.06059	0.3
151.03981	0.6
151.07635	0.6
152.99608	0.8
165.01947	5.3
166.02724	41.2
167.03041	0.8
170.02200	1.5
177.05551	0.4
179.10800	2.6
180.04315	0.7
181.08717	39.0
182.08989	1.3
193.05017	0.4
193.08688	0.6
195.06616	1.5
205.05116	0.9
205.08691	1.6
207.06609	3.3
208.07303	0.6
209.08165	1.5
210.15459	0.3
221.08224	1.8
221.11745	0.6
222.08981	44.3
223.09746	18.4
224.10033	0.6
233.08171	2.4
233.11760	0.6
241.08496	0.7
242.09711	0.4
251.96284	0.4
255.23320	1.1
256.23657	0.8
261.11331	13.9
262.11734	0.7
276.13547	1.7
277.14542	2.7
301.10873	0.4
308.13165	0.4
308.31952	0.4
341.17535	1.8
355.11917	1.5
367.11795	1.0
369.13428	0.6
371.14981	0.9
371.25848	0.5
385.16568	100.0
386.16934	7.7
413.19592	0.8
425.20010	0.7
427.21381	1.2
439.21286	16.3
440.21680	1.6
621.28064	1.4
636.39508	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.6
64.22755	1.1
69.08919	8.0
78.95928	1.7
87.04523	1.4
97.02975	1.3
103.03185	1.1
108.02105	1.0
111.04526	1.4
113.09726	10.3
123.08117	1.6
125.06107	2.9
137.02431	1.8
138.03244	6.2
139.04034	3.1
146.44884	1.2
165.01923	6.7
165.09198	2.5
166.01288	2.2
166.02719	44.6
177.05537	1.7
179.03664	1.2
179.10849	2.7
181.08716	67.7
182.09044	2.5
193.05099	1.4
195.06581	1.7
207.06660	5.0
208.07408	39.5
208.09392	2.2
209.08170	12.4
221.08292	2.6
222.08977	39.5
223.09758	19.4
233.08191	2.7
241.08606	1.8
243.10378	1.3
247.09746	7.3
261.11331	15.9
277.14505	2.9
327.15991	2.1
341.17679	1.8
371.14993	76.6
372.15375	6.3
385.16528	100.0
386.16940	11.6
439.21283	27.7
440.21478	2.6
515.42578	1.3
519.58777	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	3.1
63.05626	0.5
66.78906	0.5
67.32066	0.5
69.12508	0.9
69.12910	3.3
71.01369	1.0
73.45438	0.5
84.67801	0.5
95.16723	0.5
96.96011	1.1
98.22611	0.6
102.77039	0.6
117.03410	0.6
121.02943	0.8
126.62927	0.5
131.16229	0.5
133.02968	19.9
134.03781	4.2
135.04509	5.2
137.02463	3.0
139.03935	0.9
145.02904	1.4
159.86826	0.5
161.02458	45.3
162.02727	1.3
162.83931	4.4
164.83577	2.4
178.02603	0.9
179.03473	2.5
227.52815	0.5
397.30933	0.6
434.01398	0.6
457.33020	2.2
471.34454	1.8
539.33557	2.4
553.34814	0.6
559.34113	1.9
575.33185	2.2
577.35303	13.3
578.35352	2.1
603.34521	0.7
621.34747	100.0
622.16992	1.0
622.35162	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	621.3646
Annotation	Cilistol t
Peak:m/z	Relative Intensity
57.18804	0.1
58.00561	0.3
58.86395	0.1
59.01393	1.1
61.98810	0.2
69.02725	0.9
69.03130	0.3
71.01393	1.8
73.02914	0.2
85.02919	0.3
89.02413	0.5
101.02416	0.4
113.02475	0.7
119.03479	0.1
125.02406	0.3
127.00279	0.1
143.31146	0.1
159.10216	0.3
161.04492	0.4
169.01349	0.1
279.52017	0.1
279.55154	0.1
297.51419	0.1
343.15607	0.2
357.26389	0.1
395.29379	0.2
397.31201	0.5
413.30634	0.8
415.32187	18.0
416.32541	1.9
429.33923	0.4
441.30054	0.5
459.31186	100.0
460.31531	12.0
473.32745	4.7
474.32922	0.4
501.32251	9.6
502.32562	1.2
583.24127	0.2
621.35907	0.4
622.37256	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42541	0.7
60.14324	0.7
67.23440	0.7
69.08014	6.6
72.73529	0.7
73.34129	0.9
79.01866	0.9
84.07647	0.7
93.03439	1.2
98.21822	1.6
108.74455	0.8
117.03505	1.0
121.02963	5.0
125.53047	1.1
132.02109	1.2
132.08690	0.8
133.02972	21.8
134.03801	6.0
135.04552	8.6
135.79050	0.8
137.02460	6.7
139.04094	1.7
145.02933	1.5
161.02458	60.2
162.02727	2.9
178.02698	3.7
179.03506	4.2
301.14474	1.5
383.22086	1.1
437.26791	1.4
451.28235	1.8
455.35364	1.5
457.35663	0.9
493.29648	1.0
505.29636	9.9
506.30130	1.3
519.30566	1.6
547.34302	37.2
548.34357	3.3
557.39355	1.2
575.33740	1.1
577.38953	1.8
620.87701	1.3
621.38715	100.0
622.38782	13.6
640.36261	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.38
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69541	0.2
59.97116	0.3
61.98818	0.9
62.73793	0.2
65.06751	0.2
65.63539	0.2
70.71223	0.2
72.20721	0.2
93.03445	0.3
95.05078	0.2
96.96012	0.6
105.03497	0.3
116.92873	0.5
117.03495	0.3
121.02992	0.5
121.21383	0.3
125.63943	0.2
132.02187	0.8
133.02966	15.3
134.03784	3.5
135.04539	4.7
137.02461	2.7
139.04051	1.1
150.03203	0.2
161.02458	41.6
162.02829	1.3
163.03957	0.3
178.02733	0.9
179.03545	1.3
228.76016	0.3
279.06726	0.3
337.76141	0.2
381.20715	0.2
477.02176	0.3
569.77948	0.3
603.36938	3.1
604.37476	0.6
621.37994	100.0
622.38324	16.0
622.48871	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3801
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16702	0.5
54.35144	0.5
56.74034	0.6
59.01388	0.6
61.98831	2.2
71.14972	0.8
80.54723	0.6
93.03515	0.7
94.92514	0.6
96.96031	2.7
109.02955	0.6
114.63734	0.6
116.92867	2.9
121.02982	1.0
132.02232	0.7
133.02974	16.9
134.03770	3.2
135.04543	4.3
137.02487	3.0
161.02460	37.6
162.02827	0.9
178.02719	0.6
179.03525	2.0
208.35109	0.6
236.74959	0.5
281.84393	0.6
293.05188	0.6
439.32440	0.7
577.35120	0.7
621.38055	100.0
622.28210	0.7
622.38348	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	621.38
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06446	0.3
57.03447	0.4
58.92886	0.4
59.01380	0.4
61.98832	2.7
68.99806	0.7
78.61476	0.4
87.37460	0.3
92.31805	0.3
93.03468	0.4
96.96024	1.2
116.92864	0.8
121.02969	0.7
132.02197	0.8
133.02966	18.6
134.03781	3.7
135.04550	5.1
137.02454	3.4
139.04025	0.7
140.98314	0.6
145.02977	0.9
150.03372	0.4
161.02455	43.0
162.02808	1.0
162.83945	5.5
164.83601	2.9
178.02753	0.8
179.03571	1.5
229.70631	0.5
251.51137	0.4
304.09979	0.4
434.80603	0.5
442.75696	0.4
457.33307	2.4
458.33420	0.4
471.35406	0.4
539.33282	2.1
549.26892	0.6
577.35626	1.2
578.36267	0.4
603.36823	1.8
621.17334	2.2
621.38025	100.0
622.17023	1.5
622.38361	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	621.3807
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	1.3
69.49119	2.5
93.03442	0.5
96.96027	0.9
98.22557	0.6
107.05004	0.8
116.06107	0.4
121.02932	0.8
123.04559	0.6
133.02969	14.5
134.03813	3.2
135.04527	4.5
137.02489	2.4
139.04016	0.9
143.94183	0.4
145.02991	1.3
149.02570	0.7
161.02455	33.7
162.02808	1.2
178.02698	0.6
179.03555	1.3
206.37177	0.5
235.74863	0.4
248.18819	0.5
264.85846	0.5
265.19354	0.5
326.24200	0.5
496.77863	0.5
498.94263	0.5
603.36902	0.9
621.38025	100.0
622.38354	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	621.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
60.62149	0.4
61.98819	1.2
71.28433	0.4
83.74798	0.4
89.88927	0.5
90.59062	0.3
91.48345	0.3
108.02200	0.5
109.02967	0.6
113.09769	0.5
116.92874	0.6
117.03476	21.9
119.05038	5.5
121.02969	4.7
123.04579	0.6
123.08168	0.4
124.01755	0.3
125.02451	2.3
125.06070	1.5
133.02966	1.7
134.03799	0.5
137.02470	0.4
145.02966	70.5
146.03308	2.1
149.02478	0.5
161.02466	1.8
162.03204	0.5
163.04047	1.5
165.09236	2.8
175.04008	0.8
181.08708	3.7
193.08649	0.5
209.08206	22.1
210.08519	1.3
247.09540	0.4
277.14569	2.2
371.13510	2.9
436.75461	0.4
439.19577	0.8
457.33392	1.7
501.32080	0.6
577.39691	0.6
603.36786	0.6
617.50665	0.4
621.27185	6.8
621.38007	100.0
622.27716	1.3
622.38336	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	621.3803
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67961	0.5
61.98826	1.1
65.69201	0.4
69.56613	1.5
69.57024	0.9
78.95907	0.6
88.81912	0.5
98.71382	0.5
117.03457	2.4
121.02959	1.1
132.02161	0.8
133.02972	16.3
134.03795	3.3
135.04532	3.4
137.02472	3.7
139.04051	0.8
145.02971	3.3
149.02429	0.7
161.02466	34.0
162.02802	2.0
163.04129	0.7
164.01086	0.5
179.03432	1.0
242.44853	0.6
326.99960	0.5
335.67966	0.5
471.34885	2.1
577.36652	0.7
591.31995	0.6
621.37952	100.0
622.38342	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	621.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60255	1.0
54.31801	0.9
55.67281	1.0
70.84270	2.5
75.92064	1.1
121.02955	1.8
123.04522	1.1
133.02977	20.8
134.03732	4.3
135.04553	6.0
137.02452	4.3
139.04045	1.6
147.03340	1.0
149.02399	1.2
161.02461	52.9
162.02879	1.2
178.02643	1.3
179.03488	1.9
204.85927	1.6
208.27177	1.1
234.34813	1.3
256.65302	1.0
381.20322	1.7
414.94635	1.1
435.27753	1.2
471.34793	2.2
587.36560	2.1
621.37811	100.0
622.38300	13.0
634.15753	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.416
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.2
61.98802	0.3
62.07442	0.2
67.95693	0.2
96.96017	0.2
97.84375	0.2
114.01289	0.2
117.03472	0.6
121.02961	0.9
132.02199	0.9
133.02963	14.7
134.03789	3.3
135.04544	5.0
136.04839	0.2
137.02467	2.5
139.04002	0.9
145.03003	0.6
150.03244	0.5
161.02449	37.6
162.02794	1.8
163.04059	0.4
178.02759	0.7
179.03482	1.4
286.75287	0.2
309.62772	0.2
471.34982	0.3
539.33588	0.2
621.41681	100.0
622.42078	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	621.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13374	0.2
51.44372	0.2
60.44718	0.2
61.98826	0.2
71.02369	0.2
93.50272	0.2
98.21732	0.4
112.10768	0.2
121.02972	0.5
132.02203	0.7
133.02969	12.1
134.03778	3.6
135.04530	4.0
137.02454	2.3
139.04012	0.9
156.09277	0.2
161.02460	33.0
162.02777	1.4
178.02748	0.9
179.03484	1.1
213.34445	0.2
471.35138	0.3
579.53925	0.3
621.41736	100.0
622.42084	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	621.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
67.13097	0.3
67.45915	0.3
70.94132	0.8
76.24784	0.3
97.87004	0.3
105.03429	0.4
121.02993	0.4
132.02184	0.6
133.02971	15.5
134.03783	4.8
135.04544	5.8
137.02469	2.8
139.03984	0.8
161.02454	41.1
162.02792	1.3
172.51208	0.4
179.03543	1.2
193.97559	0.4
269.55441	0.4
278.76746	0.4
299.97696	0.4
373.30695	0.4
472.18228	0.4
621.41663	100.0
622.41998	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	621.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74075	0.4
56.69921	0.4
58.39757	0.3
68.97169	0.4
68.97490	3.6
70.71338	0.4
75.63106	0.3
81.54127	0.4
91.39371	0.4
105.03505	0.4
121.03014	1.0
132.02228	0.8
133.02975	18.7
134.03822	3.9
135.04538	5.8
137.02454	3.4
139.04066	1.1
145.03105	0.4
161.02467	43.9
162.02812	2.2
165.02071	0.5
177.02040	0.5
178.02765	0.9
179.03500	2.2
215.81021	0.3
308.88126	0.4
362.15323	0.4
455.35172	0.5
521.32715	0.5
549.36066	0.4
591.37317	0.5
603.37476	0.7
621.41730	100.0
622.42096	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	621.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88174	0.4
70.71317	0.5
78.59277	0.4
85.00471	0.6
93.03492	0.7
98.21716	0.8
121.02991	1.8
123.04581	0.6
132.02180	0.7
133.02969	17.9
134.03796	5.0
135.04544	5.1
137.02463	4.7
139.04053	1.4
142.99889	0.5
149.02531	0.6
150.03267	0.5
161.02457	43.9
162.02791	2.1
165.01939	0.6
177.01994	0.6
178.02809	1.5
179.03528	2.3
222.38387	0.4
295.22586	0.4
317.52026	0.4
340.49258	0.4
346.24261	0.4
369.21011	1.2
379.97568	0.4
383.22705	0.4
455.35699	0.9
456.72659	0.4
457.60709	0.4
521.32715	5.8
522.33038	0.8
543.03149	0.4
577.63824	0.4
591.36823	3.2
592.37646	0.9
621.41766	100.0
622.42102	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	621.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22472	0.4
58.82040	0.4
60.40366	0.4
60.72913	0.4
68.41381	0.5
70.60714	0.8
71.05296	0.4
77.07319	0.5
78.95925	0.8
96.35719	0.4
102.99326	0.4
132.02252	0.7
133.02969	14.5
134.03815	3.2
135.04527	5.0
137.02449	3.2
139.03976	0.7
156.11571	0.5
161.02454	34.7
162.02800	1.3
179.03519	2.0
181.28090	0.5
250.69713	0.6
270.17554	0.5
372.87732	0.6
530.18420	0.5
621.41602	100.0
622.41907	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	621.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
65.38267	0.3
78.95906	0.5
100.94884	0.3
116.92852	0.4
128.92203	0.3
132.02209	0.5
133.02972	15.2
134.03780	3.7
135.04536	5.4
137.02449	2.9
139.04044	0.8
139.80299	0.3
161.02461	39.1
162.02789	1.4
178.02760	0.6
179.03493	1.5
180.21404	0.3
189.68343	0.3
210.71245	0.3
371.15213	0.5
385.16556	0.6
526.16376	0.3
589.38208	0.4
621.41608	100.0
622.41925	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	621.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
59.10778	0.2
63.21795	0.2
64.35802	0.2
75.49454	0.2
82.46621	0.2
93.03439	0.3
98.21798	0.5
111.00868	0.2
121.02938	0.4
132.02133	0.6
133.02966	12.8
134.03787	2.9
135.04535	4.1
137.02454	3.0
139.04053	0.9
145.02905	0.3
145.64520	0.2
150.03249	0.3
161.02454	35.3
162.02815	1.3
178.02719	0.8
179.03485	1.4
191.39807	0.2
201.75987	0.2
274.88177	0.2
321.23392	0.2
343.18188	0.2
369.20804	0.7
385.82675	0.2
413.36499	0.2
429.76370	0.2
533.29443	0.4
587.36670	0.3
621.41663	100.0
622.41986	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	621.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
60.89282	0.2
61.98836	0.2
75.85320	0.3
85.00466	0.4
89.21496	0.2
93.03461	0.3
117.03455	0.3
121.02990	1.1
123.04536	0.4
132.02176	0.5
133.02969	14.3
134.03784	3.2
135.04539	4.1
136.04800	0.3
137.02455	4.5
139.04015	1.0
149.02356	0.2
161.02455	31.9
162.02753	1.5
178.02739	1.4
179.03517	1.7
258.04672	0.3
301.14557	0.4
342.41995	0.3
353.17624	0.4
355.19162	0.7
369.20679	2.4
370.21387	0.4
402.20578	0.3
451.28644	0.3
469.32999	0.4
505.29681	0.8
589.35681	0.6
603.37335	0.9
604.37866	0.5
621.41669	100.0
622.42096	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	621.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98806	0.7
65.89921	0.4
71.19962	0.4
82.95388	0.6
87.12600	0.4
88.98767	0.5
93.03465	0.6
105.03467	0.5
109.02950	1.3
109.90611	0.3
116.92880	0.4
117.03429	0.5
121.02961	1.1
122.46241	0.3
123.04523	0.7
132.02138	0.8
133.02968	22.8
134.03770	4.7
135.04535	6.9
137.02460	5.2
139.04008	1.7
145.02972	1.0
149.02464	0.7
161.02457	54.0
162.02789	3.7
165.01999	0.7
177.01930	0.4
178.02730	2.1
179.03494	2.7
301.14569	0.7
369.20963	1.3
383.22324	0.8
451.28986	0.4
491.28696	0.4
492.28854	0.5
505.30310	1.4
507.31473	0.5
521.32690	4.7
522.33435	0.6
533.28735	0.4
589.35236	0.9
603.36926	3.3
604.38538	0.9
621.41742	100.0
622.42145	15.5
629.97144	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29929	0.3
53.37539	0.3
58.81060	0.3
62.15570	0.3
70.71313	0.3
85.00418	1.2
93.03449	0.6
109.02959	1.0
117.03510	0.5
120.33244	0.3
121.02968	1.3
124.01609	0.3
132.02165	1.1
133.02969	21.0
134.03792	6.3
135.04546	6.6
137.01476	0.4
137.02457	5.5
139.04037	2.2
145.02980	1.2
146.03316	0.5
150.03220	0.5
151.04012	0.7
161.02457	44.5
162.02769	2.1
165.01860	0.3
177.01942	0.6
178.02737	2.6
179.03535	2.8
186.01959	0.3
186.20978	0.3
199.11366	0.3
233.64737	0.3
301.14694	0.5
315.16199	0.3
367.19168	0.4
369.20743	1.5
381.20804	0.4
383.22357	0.7
437.27365	0.6
451.28677	0.7
489.30475	1.0
504.32831	1.2
517.33539	0.4
536.31964	1.0
553.89240	0.4
564.34943	0.4
573.35889	0.4
574.36914	0.8
589.36200	0.4
603.37177	0.5
606.36084	0.6
621.41650	100.0
622.42017	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	621.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.8
59.01370	4.0
59.96009	1.1
64.97741	1.1
70.62837	2.3
73.02930	2.3
81.03461	2.5
83.05029	8.9
85.06592	2.7
93.07102	4.8
111.04514	7.4
111.08144	4.1
119.08675	10.5
121.02954	3.9
121.06554	1.2
129.05591	53.7
130.05956	1.3
132.02151	1.6
133.02968	23.0
133.10204	3.0
134.03798	7.8
135.04593	7.7
137.02466	5.5
139.04059	2.1
141.12878	2.4
145.02931	1.6
155.07167	21.6
155.14349	1.3
159.11707	1.8
161.02455	51.3
162.02837	4.0
163.02956	1.6
165.01955	1.8
178.02672	2.8
179.03516	2.3
200.89558	1.3
225.14995	6.5
241.14485	5.6
249.22203	2.7
289.18164	2.2
295.22812	58.9
296.23181	4.3
307.19275	1.4
325.20239	9.1
343.21280	99.5
344.21533	4.9
389.23532	1.2
392.29123	1.4
505.29608	4.1
519.74365	1.4
575.37585	14.3
576.37018	2.5
577.38184	1.7
589.34784	1.6
621.42419	100.0
622.42633	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	622.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13348	1.6
58.02980	11.2
58.06716	1.3
67.05782	1.4
70.02975	3.9
71.01379	1.9
72.00919	2.8
75.00871	1.7
75.52921	1.4
85.02943	2.8
91.05544	5.3
96.95998	1.7
98.22522	5.2
108.33602	1.6
111.00877	2.0
113.02476	1.9
121.02982	7.1
147.04530	18.7
164.07164	58.8
165.07509	3.8
195.01237	3.1
195.93602	1.4
198.27470	1.4
199.36180	1.6
206.08228	100.0
207.08531	4.4
209.02838	1.7
210.03613	1.6
211.04343	2.4
218.68532	1.5
249.06151	6.9
279.56027	1.7
331.70905	1.6
371.09979	14.8
373.09863	2.2
453.21487	1.8
461.11282	5.4
471.74057	2.1
472.94498	2.1
514.63898	1.9
535.14752	1.9
623.16351	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03418	0.9
57.03463	1.7
59.01088	1.5
59.01378	20.2
61.98845	7.0
62.39577	1.0
71.01385	10.3
71.05016	2.6
72.99300	1.8
73.02947	3.1
77.03963	1.9
78.95917	2.0
79.01880	1.4
79.95734	2.0
83.01389	3.1
83.05000	1.2
85.02953	5.0
87.00897	1.1
88.98815	2.1
89.02432	6.4
93.03468	2.6
95.01431	1.3
96.96004	6.6
96.96971	2.3
97.02952	1.8
98.22529	3.3
99.00897	1.7
99.04533	1.9
101.02451	9.2
102.98568	1.0
107.11453	1.0
108.02155	1.6
109.02934	1.8
111.00893	1.3
113.02457	4.0
113.06107	1.1
116.92862	2.3
119.03547	2.0
121.02950	8.0
122.03809	1.0
123.00916	2.7
123.04533	5.7
125.02412	5.4
132.02168	1.7
133.02959	18.9
134.03711	4.1
135.04543	26.7
137.02473	3.9
139.00481	1.5
139.11290	1.2
148.05318	3.4
149.02429	2.2
149.06108	3.4
151.03998	2.1
155.10753	1.9
161.02457	58.0
161.04604	3.3
163.07634	1.2
165.01965	6.3
166.99907	1.3
167.03482	2.1
169.01379	5.2
176.04939	1.2
177.01910	2.0
177.05579	2.2
179.03502	13.6
180.04071	1.2
181.08699	1.1
183.10280	2.2
192.07906	3.3
193.05078	4.7
193.08745	1.7
199.07680	2.1
207.10204	6.2
225.05614	2.8
227.03587	1.6
227.07166	2.3
235.06261	1.1
241.05042	14.4
243.06662	4.8
251.11357	2.7
253.10825	15.9
255.02969	2.0
267.10846	4.3
269.04596	24.5
270.05106	3.4
271.06100	3.4
284.03159	1.7
285.04083	2.2
298.04840	23.4
299.05615	100.0
300.05920	5.9
311.12823	1.7
314.04276	2.0
318.07312	2.0
323.07745	30.7
324.08368	1.7
329.13828	2.1
332.09094	2.9
333.09906	3.8
347.11200	1.3
369.15570	3.8
371.24551	4.3
373.25916	10.0
387.16913	1.7
389.25494	6.1
403.20261	1.3
461.10916	2.9
477.10361	1.8
543.18762	14.4
587.42303	1.2
623.14099	55.6
623.26117	9.1
623.35779	12.5
624.14728	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	623.1622
Annotation	Isorhamnetin 3-robinobioside
Peak:m/z	Relative Intensity
52.36088	0.5
54.63076	0.6
59.01355	2.1
63.12703	0.5
65.00303	0.9
69.03448	0.5
69.16898	3.6
69.89993	0.5
71.01357	1.7
76.85231	0.7
77.72134	0.5
83.01379	0.8
84.52662	0.5
85.02929	1.0
87.00845	0.6
87.65189	0.5
89.02402	0.9
90.41026	0.5
95.01363	1.4
96.96034	2.9
98.22548	1.1
101.02440	1.4
107.01404	2.6
109.02936	0.7
111.00887	6.2
113.02429	0.7
116.92865	0.8
123.00898	3.0
124.01649	2.4
125.02461	8.1
148.01701	1.0
149.99586	0.6
151.00383	12.0
152.01050	1.5
163.00394	0.6
163.03926	0.9
166.99799	1.1
168.00613	1.1
169.01459	6.3
173.02383	1.1
175.03973	0.7
178.99834	0.6
183.81578	0.5
191.03467	0.9
192.00487	0.8
201.01918	0.9
203.03435	1.2
207.10207	1.2
211.02420	3.0
215.03569	0.9
225.11311	1.1
227.03435	3.2
229.01437	1.6
242.02313	1.1
243.03079	4.1
245.00664	0.7
247.02589	0.7
249.04054	0.8
254.02159	0.9
255.03004	11.1
256.03549	0.8
259.02414	0.5
270.01740	1.3
271.02338	20.1
271.04633	2.8
272.03061	4.8
275.01950	2.2
280.28723	0.6
299.01938	4.1
299.09122	0.7
300.02768	98.2
300.99878	11.0
301.03217	6.1
302.00284	1.4
313.03491	0.7
314.04343	0.8
315.05130	100.0
316.05505	5.4
370.11835	0.6
388.87891	0.6
390.52765	0.7
391.03186	3.4
391.53381	1.8
445.08005	0.7
461.10953	15.0
462.11487	0.7
475.23630	0.7
477.10410	38.4
478.10834	3.4
623.16559	0.9
623.26672	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	623.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.6
57.03442	1.6
59.01384	16.9
61.98838	5.5
68.99812	0.8
71.01389	12.6
72.99283	1.5
73.02953	6.1
73.38039	0.8
75.00882	1.4
78.39172	0.8
78.95886	1.4
83.01387	4.6
85.02959	4.9
87.00864	2.9
87.04525	1.3
88.98817	1.2
89.02466	4.4
89.02902	0.8
93.03506	1.0
95.01379	1.9
97.02937	2.0
99.00855	2.4
101.02454	7.3
108.02135	1.2
109.02958	1.0
111.00887	1.7
113.02478	4.2
116.92862	8.4
121.02885	1.1
123.00864	1.2
123.04513	1.3
125.02451	4.9
135.04529	1.6
137.02402	2.5
139.11270	2.2
147.00890	1.1
148.05316	1.1
149.06030	2.2
151.03996	1.5
161.04517	1.3
161.06049	1.1
163.07610	1.4
163.11275	1.1
164.04764	2.7
165.05467	1.0
169.01389	1.2
169.12309	0.9
175.00363	3.2
176.08438	14.9
177.09030	0.9
179.07169	1.7
181.12326	1.3
183.10213	4.2
190.02716	7.3
191.10793	10.7
193.05064	1.1
205.05005	6.2
207.06694	1.1
207.10342	1.2
209.08182	3.8
209.11862	2.1
209.38226	0.9
212.04858	1.6
213.05545	2.1
221.08084	0.9
223.06152	1.8
225.11317	6.0
227.07159	1.6
228.77303	1.1
235.09705	8.3
236.10197	1.0
240.07845	1.2
241.08746	1.6
243.12270	4.2
255.10222	3.2
267.12210	1.0
271.02432	1.7
297.14966	0.9
299.01764	0.9
299.12808	6.3
300.02713	2.3
300.13565	5.1
301.03445	2.2
301.14313	1.8
314.15295	13.8
315.15982	14.7
316.16174	1.5
327.14417	1.4
329.17609	11.6
330.18161	1.3
376.92996	0.8
387.16681	4.2
445.40042	0.8
461.29437	1.0
476.20398	2.5
477.21188	2.7
491.16168	1.5
491.22922	21.0
492.23126	2.4
499.16260	0.8
570.37115	0.9
601.39587	1.0
623.27014	100.0
624.27368	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78402	2.8
57.03448	3.2
59.01392	42.0
59.61953	3.1
61.98836	25.6
64.45163	2.7
67.55235	2.6
67.86655	2.9
69.36429	17.3
71.01392	31.9
72.99306	6.5
73.02941	7.5
74.99110	8.6
78.95908	12.0
83.01391	7.7
83.65570	3.2
85.02956	12.5
85.59249	3.1
87.00870	5.7
88.98810	6.5
89.02435	20.8
91.94324	3.1
95.01404	4.8
96.96017	25.7
96.96964	12.8
98.21808	6.1
99.04536	3.5
101.02455	22.9
109.02946	4.9
113.02482	13.3
116.92884	5.2
119.03509	7.7
123.00900	6.9
123.04511	5.0
123.08158	4.0
125.02433	17.4
129.22214	3.1
136.99149	14.1
137.02451	7.5
153.05612	3.8
153.09227	86.8
169.01443	11.2
193.08722	11.4
195.06731	4.1
197.04605	6.0
205.08495	4.1
208.03975	4.0
243.06583	7.2
248.29576	3.4
270.98917	4.6
285.04099	4.8
298.98361	6.2
425.18335	6.2
443.19379	15.7
474.96442	3.1
503.13461	4.9
543.19043	4.3
579.28162	100.0
580.28357	12.8
623.26910	92.3
624.26923	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	623.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23115	0.5
53.26671	0.6
55.78090	0.5
57.78506	0.6
68.75494	0.5
69.14949	1.0
69.15276	4.2
93.03451	0.6
98.21796	1.3
109.02946	1.0
110.41657	0.6
111.00919	0.9
121.02990	1.6
121.19234	0.6
123.04549	1.2
133.02975	16.3
134.03760	12.7
135.04552	6.3
137.02455	14.0
139.04021	3.9
149.02463	1.1
150.03265	1.3
161.02457	53.9
162.02751	3.1
176.18121	0.6
177.01950	0.7
178.02733	6.9
179.03467	4.1
287.12970	0.9
301.14581	4.3
315.16144	1.6
355.19055	1.3
367.19272	1.1
369.20749	2.6
381.20703	3.0
382.21552	1.6
383.22284	9.0
384.22867	1.0
395.22272	0.8
397.23950	0.8
409.24149	0.8
437.26822	5.7
438.27008	1.3
451.28613	6.4
465.30191	3.1
491.27908	2.4
504.28888	0.8
505.29614	49.3
506.30106	9.9
519.30603	0.8
531.35339	0.6
533.32697	2.8
538.29181	0.9
547.34314	37.4
548.34802	6.9
551.37750	0.6
559.16907	0.7
580.34027	9.3
581.34155	1.9
589.39429	1.1
591.36896	8.0
592.37457	1.2
605.38470	6.6
606.39441	2.0
623.39594	100.0
624.39868	16.2
638.38495	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
69.01659	6.0
73.47150	0.7
81.03446	0.8
98.21820	1.6
121.02985	2.3
123.04552	2.5
124.44713	0.6
133.02974	14.9
134.03761	10.7
135.04576	6.0
137.02464	11.8
139.04021	3.6
145.88136	0.7
149.70477	0.7
150.03264	1.9
161.02464	49.7
162.02776	1.8
162.78114	0.7
178.02731	8.2
179.03574	3.6
184.89833	0.7
190.64108	0.7
229.69598	0.7
247.68599	0.7
258.16406	0.8
287.13095	0.9
301.14505	4.1
313.14542	0.6
313.24341	0.8
315.16104	2.3
333.77530	0.7
334.75616	0.7
355.19269	0.9
367.19235	1.1
369.20728	2.4
370.20551	0.7
381.20856	2.4
382.21310	2.2
383.22275	10.5
384.22968	1.0
395.22299	1.4
397.23889	1.1
409.24017	1.0
437.26987	5.9
443.35297	1.1
451.28522	7.3
452.29141	0.9
453.33850	2.6
455.34909	1.6
465.30066	3.5
481.42810	0.7
491.28235	2.3
492.28546	0.6
505.29614	50.7
506.30069	8.4
509.33136	1.2
519.31128	0.8
533.32233	2.9
538.29022	1.2
547.34326	39.9
548.34766	8.2
563.34741	0.7
579.36957	3.9
580.34235	8.3
581.34552	1.0
589.39581	0.8
591.37018	7.7
592.37195	1.2
605.38110	0.9
606.39502	1.8
623.39594	100.0
624.39917	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81775	0.5
51.97017	0.5
52.91943	0.5
54.88217	0.6
55.37725	0.5
59.01397	0.6
61.98829	2.4
62.44026	0.5
70.55825	1.4
94.90665	0.5
95.01416	0.7
96.96052	1.3
98.21864	0.6
109.02957	0.8
117.03472	0.6
121.02982	1.3
123.00926	0.6
133.02969	14.4
134.03815	3.5
135.04541	4.4
137.02467	2.7
139.04028	1.0
161.02463	36.2
162.02827	1.9
178.02759	0.6
179.03566	2.0
219.06628	0.6
251.30885	0.5
453.33929	0.7
471.35141	0.6
506.30371	0.6
551.33740	1.0
605.35382	0.8
623.39667	100.0
624.39972	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	623.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	1.5
66.14931	1.0
67.79300	1.2
81.03483	1.4
83.41231	1.0
94.47337	1.2
95.01410	1.3
98.21706	2.2
109.02955	1.6
116.92870	1.5
121.02958	2.8
124.12032	1.2
133.02980	16.3
134.03777	12.7
135.04529	6.7
137.02469	14.5
139.04010	5.3
143.31177	1.3
145.03003	1.4
150.03294	2.6
161.01118	2.6
161.02467	49.3
162.02838	2.7
176.43425	1.3
178.02698	9.1
179.03491	6.6
301.14301	5.8
310.78506	1.3
315.16455	1.3
339.07233	1.2
355.19113	1.6
367.19119	1.6
369.20862	8.6
370.20761	2.6
381.20752	3.5
382.21762	1.4
383.22229	6.3
389.95813	1.2
397.23788	1.3
411.25809	2.0
437.26962	12.4
438.27734	1.4
451.28705	2.5
453.33853	2.2
455.35541	2.4
465.30255	5.0
481.29486	6.5
484.28232	1.5
507.31082	15.8
508.31720	2.2
535.30579	18.0
536.31177	1.9
578.39923	2.8
588.38257	1.8
589.39044	4.5
591.36908	14.9
592.37524	2.8
605.38849	5.7
606.39563	5.2
623.39569	100.0
624.40125	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	623.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22589	0.6
58.04456	0.7
58.11576	0.7
61.98811	0.9
72.99317	0.7
93.03410	1.0
96.14246	0.7
98.02738	0.7
106.86785	0.6
109.02963	3.0
111.00892	1.6
121.02948	2.4
133.02960	17.9
134.03770	14.4
135.04565	7.8
137.02454	15.5
139.04024	4.7
145.02989	0.8
149.02448	0.8
150.03214	2.1
161.02454	51.9
162.02779	2.0
178.02745	9.0
179.03493	6.7
287.12933	1.2
301.14453	6.0
313.14279	1.1
315.16064	1.8
334.14215	1.0
353.17590	1.5
355.19507	1.4
367.19318	2.2
369.20694	7.9
370.21463	0.9
381.20621	4.1
382.21503	2.1
383.22339	8.8
384.22705	1.6
395.22244	1.4
397.23843	1.0
411.25674	0.9
437.27042	14.2
438.27390	1.4
451.28564	3.1
453.33966	1.0
465.30447	4.3
479.31754	2.4
505.29852	1.2
507.31140	17.4
508.31531	2.6
512.31079	0.9
519.35083	1.4
521.32794	9.9
522.32874	1.0
523.34570	1.2
533.32697	31.8
534.33093	4.9
535.34192	9.2
536.35205	6.8
549.34204	1.0
563.37476	1.2
568.34186	2.1
588.37537	1.1
589.38654	5.9
590.39667	1.8
591.36926	20.4
592.37476	3.3
605.38391	7.0
606.38910	5.4
623.39557	100.0
624.40057	16.0
645.01947	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.4166
Annotation	Cyclocanthoside A
Peak:m/z	Relative Intensity
53.61214	0.4
53.71202	0.3
57.03440	0.4
58.00581	0.6
58.99140	0.3
59.01381	18.9
60.99291	0.8
61.98844	0.4
63.61343	0.4
69.52613	1.5
71.01386	10.2
72.99299	1.1
73.02955	0.5
78.95879	0.4
83.01372	0.9
83.04980	0.5
85.02944	2.4
87.00855	0.5
89.02451	7.7
93.05193	0.4
95.01396	0.9
98.22565	0.8
101.02454	5.8
107.05051	0.4
109.06611	0.5
113.02445	3.3
119.03531	2.6
121.48038	0.4
153.87149	0.4
161.84717	0.3
180.27347	0.4
208.04672	0.3
236.71594	0.4
239.84747	0.4
265.03406	0.4
343.30225	0.9
345.31586	1.1
351.30429	0.4
379.33823	0.4
399.36447	0.8
425.34241	1.2
443.35254	5.6
461.36176	2.1
579.53705	0.4
623.41644	100.0
624.41956	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	625.12
Annotation	Quercetin 3-(6''-caffeylgalactoside)
Peak:m/z	Relative Intensity
54.16317	0.4
59.01380	2.4
61.98804	0.6
63.02399	1.3
65.00311	1.4
65.81949	0.5
71.01378	1.9
71.29832	0.9
73.02935	0.7
75.04362	0.4
83.01371	1.7
85.02953	0.9
87.00869	0.8
88.98824	0.5
89.02435	1.2
93.03455	0.5
95.01334	0.5
101.02437	1.0
102.98579	1.3
107.01386	5.4
108.02180	1.5
109.02940	1.4
111.00829	0.5
113.02440	0.8
116.92854	0.6
117.03460	0.8
117.97324	0.5
120.99635	1.2
121.02960	4.1
123.04499	0.8
124.01607	0.6
125.02410	3.2
129.04420	0.5
133.02951	3.8
135.00871	1.2
135.04509	3.5
136.99165	3.9
137.02444	1.0
148.01616	1.2
149.02464	1.0
149.06042	0.6
149.80040	0.5
151.00375	18.5
152.00786	0.6
153.14667	0.5
159.04707	0.5
161.02451	11.9
162.02898	0.5
163.00436	2.4
163.03955	0.6
164.01175	0.8
164.04727	1.1
165.01942	0.6
169.01408	2.1
175.03981	0.9
178.99873	9.1
179.03519	1.8
179.07115	1.4
183.04526	0.6
199.04077	0.6
211.03998	0.9
226.02757	1.1
227.03554	3.1
229.01323	0.6
229.05031	1.1
231.02765	0.6
233.04742	0.6
243.02972	8.7
245.04482	1.6
254.02315	1.3
255.02989	21.6
256.03461	1.1
271.02478	47.2
272.02957	3.4
273.04013	1.8
275.01941	0.6
283.02377	1.2
283.05145	0.7
299.01849	1.1
300.02756	100.0
301.03503	66.3
301.07147	1.1
302.03903	3.9
323.07660	4.0
413.35464	0.6
463.08853	88.9
464.09149	8.2
579.30017	3.3
625.11951	47.4
625.20929	1.7
626.12366	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	625.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41188	2.7
56.57553	2.5
57.03451	14.3
67.01904	3.2
70.54056	3.4
70.54373	3.5
75.98902	2.3
81.03468	21.7
83.01381	11.2
93.03446	4.7
95.05026	10.4
97.02952	6.3
97.87281	2.3
99.04523	13.6
103.46641	2.7
108.02209	3.1
109.02953	11.1
115.74868	3.3
121.02943	3.8
123.04543	6.2
125.02455	100.0
137.02446	49.0
139.03989	6.7
149.02426	6.9
151.04013	6.9
153.01964	4.9
161.02399	4.7
163.04033	6.2
164.01158	8.4
165.01962	16.0
167.03503	86.5
167.04926	4.5
168.03801	4.1
171.04489	5.0
173.06119	6.0
175.04016	8.0
177.01915	11.1
177.05511	3.4
179.03535	15.2
183.04506	3.8
185.06108	4.8
187.04088	6.0
188.04739	3.8
189.01990	4.9
189.05504	4.5
190.02708	3.8
191.03519	4.8
197.06104	5.8
199.03983	8.9
201.05594	13.1
203.03519	7.1
204.04108	3.2
205.05066	20.6
211.04002	13.1
212.04733	4.8
213.05630	13.2
214.02687	3.2
215.03485	9.9
217.04947	5.1
219.06566	3.5
221.57916	2.8
225.05536	5.0
227.03500	12.8
228.04172	3.6
229.01611	3.2
229.05084	19.1
231.02922	4.6
231.06616	3.2
233.04469	3.2
239.03493	9.0
240.04274	4.2
241.05054	16.6
243.02954	6.5
243.06557	4.2
244.03827	7.4
245.04527	10.3
251.03595	3.9
253.05070	7.2
255.02892	4.1
257.04575	72.0
258.05112	3.5
259.06201	3.5
267.06680	2.8
269.04517	29.9
271.06104	6.9
275.05453	6.9
281.04572	10.3
293.04565	4.7
295.06082	3.1
297.04358	3.0
299.05664	5.1
357.06039	3.3
375.07681	2.6
377.06491	4.1
379.08401	3.6
389.06686	2.9
395.07742	27.4
397.09219	4.9
407.07770	16.1
413.08633	10.4
419.07584	13.7
425.08740	10.8
437.08908	6.9
443.09738	11.9
455.09598	3.0
459.10449	2.7
469.07742	4.8
481.08112	3.3
501.12000	3.5
519.12494	3.5
545.10608	6.3
563.11853	6.4
581.12781	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	625.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45014	2.4
56.59794	2.0
57.03451	16.1
62.74218	2.1
65.08144	1.9
69.03442	3.5
69.76009	2.0
69.76968	8.0
78.13393	2.1
81.03463	15.8
83.01391	13.5
93.03509	3.0
95.01413	3.6
95.05016	5.7
97.02952	5.1
99.04533	16.2
107.05046	3.5
108.02189	4.3
109.02959	8.8
121.02944	5.3
122.25467	2.5
123.04510	5.6
125.02457	100.0
126.02818	4.6
131.04999	2.4
137.01474	4.0
137.02458	52.3
139.04028	2.7
145.06552	2.7
149.02477	5.1
149.06036	3.2
150.00949	2.3
151.03986	10.0
153.01970	4.2
157.06577	3.9
158.50063	2.1
159.04549	2.8
161.02460	4.2
163.00401	3.2
163.03996	3.7
164.01164	6.8
165.01917	13.0
167.03523	65.8
168.04042	2.6
171.04559	4.8
173.06082	5.4
174.03264	2.4
175.04016	9.8
177.01959	12.9
177.05565	3.1
179.03499	8.5
183.04485	5.7
185.06067	6.9
187.03963	6.0
189.05591	4.1
191.03569	3.4
191.07234	3.0
199.04030	5.9
201.05577	9.6
203.03479	4.4
203.07004	4.1
204.04247	4.0
205.05070	18.9
208.57878	2.6
211.04042	14.0
212.04662	2.7
213.05629	11.2
215.03455	8.8
217.01218	2.5
217.05028	4.0
217.98853	2.5
219.02991	3.8
219.06630	3.4
225.05566	6.1
227.03461	10.4
228.04234	4.0
229.05092	18.9
231.03041	6.4
239.03455	8.4
241.05037	9.9
243.02982	5.4
243.06656	4.4
244.03813	3.4
245.04550	5.1
247.05963	2.9
251.03355	3.7
253.05069	7.6
255.06531	2.3
256.03790	3.0
257.04550	66.2
257.08609	3.6
259.02545	3.2
259.06204	5.4
267.06458	3.5
269.04541	21.1
271.06110	3.4
275.02637	2.4
275.05652	10.0
280.03543	2.8
281.04517	9.8
282.05524	2.5
285.06250	5.4
287.05627	3.8
293.04590	5.2
299.05566	3.5
300.99844	4.9
313.03491	3.2
315.05234	2.7
375.08508	3.9
377.06543	3.1
379.08221	5.1
389.06592	4.5
395.07742	28.1
396.07886	2.7
396.26031	2.3
397.09122	5.4
407.07773	10.2
413.08789	8.2
419.07739	14.1
425.08441	6.7
437.08636	7.3
443.09961	8.4
455.10144	5.3
469.07813	4.3
481.07751	3.0
483.10709	2.5
501.11331	2.3
527.09106	2.6
545.10889	6.4
563.11707	7.1
581.13123	5.5
582.12537	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	625.1202
Annotation	Nympholide B
Peak:m/z	Relative Intensity
59.01366	4.6
59.44005	1.6
61.98817	6.3
71.29697	1.8
77.89190	1.5
84.22083	1.4
96.96030	2.6
125.02452	4.1
135.04495	1.6
148.10298	1.5
149.02432	2.3
149.25282	1.4
151.00380	4.9
162.87265	1.6
185.99557	1.6
241.98444	2.1
254.99374	2.0
255.05147	3.1
257.00989	2.1
269.95367	3.2
269.98071	29.5
270.98441	2.6
285.00424	13.6
297.97556	56.9
298.97833	4.5
312.99921	100.0
314.00497	7.9
328.02249	65.1
329.02518	3.7
377.79514	2.0
463.06613	2.0
610.09576	7.4
625.11920	60.7
626.12134	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	625.142
Annotation	Tricetin 3',5'-diglucoside
Peak:m/z	Relative Intensity
54.23538	1.0
59.01382	7.6
61.98811	2.3
68.98624	10.9
68.98948	2.7
71.01376	4.6
72.99316	1.2
74.99085	1.2
83.01423	1.3
85.02959	1.7
87.00869	2.7
89.02435	4.6
96.96028	1.2
98.22492	2.2
100.01685	2.9
101.02445	2.4
107.01390	3.3
108.02161	1.5
109.02934	3.3
110.00117	2.4
111.00874	5.1
113.02470	1.7
119.03496	1.5
120.99586	1.3
121.02962	4.0
123.00863	1.9
123.04533	1.2
125.02431	5.0
136.99037	1.4
137.99599	1.2
139.00397	4.3
141.17067	1.3
149.02412	1.4
151.00388	7.6
151.03964	1.5
152.01077	1.7
161.02434	2.0
163.03922	1.9
165.01921	1.9
165.99081	2.0
166.02643	1.3
166.99829	2.5
169.01364	3.4
171.04509	1.8
175.03992	1.6
178.99867	9.6
179.05641	1.3
179.07082	1.7
187.04060	2.3
189.01909	1.3
193.01331	1.7
194.99310	1.6
195.06528	1.9
198.03284	1.6
199.04012	2.9
203.03409	1.6
215.03493	2.8
216.04120	1.1
226.02634	1.3
227.03500	3.6
227.12759	2.0
231.02953	2.7
242.02142	3.7
243.02972	13.5
244.03505	2.2
249.03996	1.5
254.02095	1.6
255.02975	22.2
255.09924	1.2
257.04587	2.0
259.02484	4.5
261.07703	2.7
268.07486	2.1
270.01727	7.5
271.02490	71.7
272.02911	3.2
275.01920	1.3
283.09756	3.3
287.02002	28.3
288.02655	3.5
299.01978	2.4
300.02774	79.2
300.99936	2.2
301.03372	16.3
301.10812	3.4
315.01474	7.7
316.02237	47.2
317.03006	12.7
343.21317	2.0
381.12048	1.4
397.13202	1.1
400.09991	3.2
463.08862	100.0
464.09006	8.5
515.91199	1.1
607.16406	2.5
608.16882	1.2
625.14020	55.4
626.14514	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	625.142
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23538	1.0
59.01382	7.6
61.98811	2.3
68.98624	10.9
68.98948	2.7
71.01376	4.6
72.99316	1.2
74.99085	1.2
83.01423	1.3
85.02959	1.7
87.00869	2.7
89.02435	4.6
96.96028	1.2
98.22492	2.2
100.01685	2.9
101.02445	2.4
107.01390	3.3
108.02161	1.5
109.02934	3.3
110.00117	2.4
111.00874	5.1
113.02470	1.7
119.03496	1.5
120.99586	1.3
121.02962	4.0
123.00863	1.9
123.04533	1.2
125.02431	5.0
136.99037	1.4
137.99599	1.2
139.00397	4.3
141.17067	1.3
149.02412	1.4
151.00388	7.6
151.03964	1.5
152.01077	1.7
161.02434	2.0
163.03922	1.9
165.01921	1.9
165.99081	2.0
166.02643	1.3
166.99829	2.5
169.01364	3.4
171.04509	1.8
175.03992	1.6
178.99867	9.6
179.05641	1.3
179.07082	1.7
187.04060	2.3
189.01909	1.3
193.01331	1.7
194.99310	1.6
195.06528	1.9
198.03284	1.6
199.04012	2.9
203.03409	1.6
215.03493	2.8
216.04120	1.1
226.02634	1.3
227.03500	3.6
227.12759	2.0
231.02953	2.7
242.02142	3.7
243.02972	13.5
244.03505	2.2
249.03996	1.5
254.02095	1.6
255.02975	22.2
255.09924	1.2
257.04587	2.0
259.02484	4.5
261.07703	2.7
268.07486	2.1
270.01727	7.5
271.02490	71.7
272.02911	3.2
275.01920	1.3
283.09756	3.3
287.02002	28.3
288.02655	3.5
299.01978	2.4
300.02774	79.2
300.99936	2.2
301.03372	16.3
301.10812	3.4
315.01474	7.7
316.02237	47.2
317.03006	12.7
343.21317	2.0
381.12048	1.4
397.13202	1.1
400.09991	3.2
463.08862	100.0
464.09006	8.5
515.91199	1.1
607.16406	2.5
608.16882	1.2
625.14020	55.4
626.14514	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	625.176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15956	0.5
50.81137	0.4
54.65635	0.5
55.01863	0.6
57.03439	0.9
58.59721	0.5
59.01383	4.5
61.98833	4.1
67.01875	1.1
68.99784	0.5
69.03429	1.1
69.42810	1.1
69.43211	2.0
71.01385	4.1
72.99306	1.2
73.02942	1.0
78.95904	0.6
78.98595	0.9
79.01884	0.9
81.03491	0.9
82.77287	0.5
83.01372	1.5
85.02941	1.5
87.00873	1.1
87.04530	6.8
89.02418	1.5
93.03462	3.0
95.01395	2.4
96.95995	0.7
97.02941	1.5
101.02460	2.4
107.01398	9.1
108.02179	1.3
109.02960	1.5
110.00077	0.7
110.87885	0.5
111.00855	2.6
113.02448	2.2
120.99647	1.9
121.02960	2.4
123.00889	12.1
123.04530	2.1
124.01638	2.1
125.02452	42.1
126.02813	0.7
127.00366	1.0
134.03735	1.2
135.04500	1.6
136.01776	0.5
136.98820	1.6
137.02460	5.6
139.00371	5.6
139.04010	0.8
140.01180	4.9
141.01924	1.9
149.06122	1.1
151.00374	8.8
151.04048	1.9
153.01907	1.0
161.02461	0.9
161.04584	0.6
163.04056	1.0
165.01917	1.0
165.05396	0.8
167.03500	2.6
168.00636	6.2
169.01437	46.1
170.01733	1.4
178.02707	0.6
179.03462	1.0
181.04985	1.0
191.03384	0.8
193.05072	1.1
193.12325	2.3
211.06133	2.2
219.06599	0.7
221.04872	0.6
221.08208	0.5
225.11353	0.6
237.07823	0.5
237.11270	1.0
243.12587	0.6
253.03493	1.2
268.07321	1.1
269.08118	0.8
281.06680	6.9
283.09625	0.6
289.07193	1.0
295.04575	1.0
313.05670	2.0
315.24252	0.5
343.11945	5.3
359.27939	1.5
385.11374	6.0
455.15335	0.9
473.16629	25.8
474.17075	2.2
537.11664	0.7
625.17810	100.0
626.18085	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	625.2141
Annotation	Salicifolioside A
Peak:m/z	Relative Intensity
50.28754	0.7
54.32795	0.6
55.88120	0.7
56.32317	0.7
57.03435	1.1
58.00599	0.7
59.01378	15.5
63.96225	2.7
66.81867	0.7
69.03456	0.8
71.01382	12.7
71.29691	0.8
72.99299	4.4
73.02957	2.0
74.99103	9.2
83.01389	1.5
85.02950	3.6
86.09372	0.8
87.00869	2.4
89.02451	18.0
95.01419	1.3
96.96014	1.4
97.02953	1.3
99.00847	0.8
101.02450	12.8
108.02180	1.2
109.02938	1.8
111.00875	3.6
113.02445	7.9
117.97318	1.7
119.03506	11.7
120.99657	1.1
121.02958	1.6
122.03739	1.2
123.00803	0.8
123.04528	7.9
125.02451	10.3
131.03517	1.8
133.02953	1.0
134.03731	2.5
135.04494	1.0
135.98360	8.8
136.99144	10.7
137.02443	1.0
139.03947	0.7
143.03499	3.5
145.02945	7.1
146.03734	2.6
149.06088	1.2
151.03998	0.9
153.01985	0.7
159.04530	1.7
161.02457	1.0
161.04579	5.1
164.04808	1.9
169.01408	1.7
177.05571	2.4
179.05630	10.9
194.07277	1.3
195.08160	1.0
197.06107	2.3
209.11877	3.8
211.07610	2.4
212.08391	8.6
213.08859	0.8
221.06679	7.3
222.06889	2.0
223.07649	3.7
225.05621	4.7
227.12915	0.9
239.07166	10.0
240.07877	12.1
250.06351	1.9
251.07159	12.8
252.07919	13.3
253.05075	6.3
253.08652	4.5
263.07730	2.6
264.40387	0.7
266.05865	10.4
267.06610	36.5
268.07407	100.0
269.07748	6.9
283.09769	75.9
283.13055	1.3
284.10071	4.9
285.07990	1.4
285.11331	13.4
286.08490	1.0
300.06274	1.0
301.10822	87.9
302.11212	6.5
323.09845	19.5
324.09985	0.8
343.15549	0.9
375.09000	0.8
415.14673	0.8
447.16574	2.8
537.14099	1.0
551.64105	0.8
585.62811	0.8
607.20496	10.1
625.20862	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	625.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01091	1.4
59.01380	22.3
63.96231	2.0
71.01389	19.6
72.99309	2.5
73.02939	3.4
74.99101	9.4
83.01389	1.4
84.05668	0.8
85.02961	3.2
87.00878	2.6
89.02450	27.6
95.01422	1.4
96.96045	1.1
97.02919	1.6
98.22527	2.8
99.00845	1.2
101.02446	15.1
102.98612	0.9
108.02095	0.9
109.02983	1.3
111.00867	3.2
113.02459	7.3
116.34267	0.8
119.03502	11.4
119.04977	0.9
121.02936	1.2
122.03813	1.4
123.04540	7.5
125.02478	10.3
131.03506	3.4
133.03008	1.0
134.03723	2.6
135.04442	1.4
135.98376	4.5
136.99149	11.1
137.02496	1.2
143.03551	4.7
145.02939	6.5
146.03737	2.5
149.04626	1.5
149.06009	1.4
152.01143	1.3
159.03026	0.9
159.04460	1.6
161.04558	6.1
163.04031	1.0
167.03456	1.5
169.01445	2.1
177.05566	3.0
179.05641	20.0
179.07170	2.0
188.04762	0.9
194.07272	0.9
197.06155	1.5
209.11833	12.0
210.70720	0.8
211.07639	3.9
212.08430	10.4
221.06624	8.2
222.06799	1.2
223.07715	5.9
224.08191	1.1
225.05553	5.6
227.12875	1.4
239.07121	10.5
240.07903	12.1
245.06927	1.0
249.04048	1.0
250.06483	1.1
251.07169	12.5
252.07938	12.4
253.05090	9.6
253.08391	4.5
253.10995	1.0
263.07706	3.4
266.05841	9.3
267.06622	36.1
268.07416	100.0
269.07785	6.5
270.09009	1.2
283.09778	73.5
284.10150	6.3
285.08090	1.4
285.11295	13.6
286.11554	1.8
300.06415	1.2
300.99893	1.9
301.10825	82.1
302.08255	1.0
302.11218	5.3
323.09824	16.7
347.11560	0.9
375.09143	1.3
397.13547	3.4
415.14670	2.6
447.16492	3.3
607.20227	10.1
608.19702	1.9
625.21185	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	625.2291
Annotation	Cryptophycin 176
Peak:m/z	Relative Intensity
59.01397	1.5
61.98840	1.1
79.10211	1.1
83.01382	7.2
85.02965	6.1
87.04524	2.0
95.05016	1.7
107.01467	1.2
109.02941	3.2
109.06612	2.2
111.00865	1.9
111.04532	13.2
111.08171	1.7
113.02444	2.1
113.09733	1.8
125.02504	1.9
125.06091	13.1
125.09708	3.4
126.27110	1.3
127.34681	1.2
137.02393	1.2
139.04008	4.6
151.07599	1.4
153.01906	2.9
153.05600	2.8
159.00903	1.1
165.09254	2.1
167.03482	1.8
167.07127	1.3
177.09196	1.5
179.07094	4.5
181.05084	1.9
181.08704	20.1
183.06644	9.0
193.08678	3.3
195.06599	2.3
197.08176	8.8
206.05814	1.2
207.06633	4.6
209.08220	7.0
221.08195	4.8
223.06111	14.3
223.09750	1.4
225.07661	3.6
237.07687	13.4
239.09120	1.8
261.11353	2.1
289.11069	2.3
297.11133	1.4
355.15607	1.6
359.15015	1.8
361.20337	1.8
368.12411	1.5
375.18192	4.8
383.15320	1.4
387.14484	1.5
389.15555	10.2
389.20654	6.2
401.16196	2.3
427.13998	1.6
441.15363	1.6
453.12079	1.3
465.99203	1.1
501.31635	1.2
549.21130	2.1
597.73505	1.1
607.22156	1.3
625.22870	100.0
625.32489	6.8
625.44244	4.2
626.23328	16.6
626.33539	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.8
58.00576	1.4
58.97617	0.8
59.01382	26.3
61.98833	4.6
66.42617	0.6
68.42514	0.6
71.01385	18.5
72.99302	1.6
73.02935	1.1
75.00850	0.6
83.01400	1.3
85.02947	4.3
87.00894	1.4
89.02454	19.6
91.79733	0.7
93.03460	1.5
95.01391	1.0
96.96023	0.7
99.00868	0.8
101.02452	7.8
102.98605	2.0
108.02174	2.0
109.02953	3.0
113.02460	7.7
116.92868	5.9
119.03525	5.4
121.02961	2.6
123.04528	2.7
125.02446	1.4
134.03703	0.8
135.04465	1.5
137.02472	0.9
139.11317	1.7
140.95206	0.8
143.03464	1.2
145.02922	1.3
147.04445	0.7
148.59618	0.6
149.02490	0.6
149.06062	1.2
151.04076	0.6
159.04498	0.9
161.04538	2.0
166.06302	1.0
168.00592	0.9
179.05646	4.1
179.07091	1.0
183.10283	1.8
193.05045	1.5
193.08646	3.6
197.36159	0.7
209.08017	0.7
209.11890	0.9
225.11241	1.5
229.58009	0.7
235.04361	1.0
250.06281	1.2
263.07101	0.8
265.08664	1.3
269.08173	0.8
275.07257	0.7
278.05966	0.8
279.06631	1.2
281.06622	0.7
283.04999	3.3
291.06577	1.5
292.07355	1.6
293.08154	6.7
294.08862	4.2
306.08948	1.6
307.09845	1.5
308.10608	6.2
309.11011	1.6
321.11392	2.8
326.68512	0.7
342.88837	0.7
342.93671	0.8
343.09756	0.7
360.10474	3.1
371.24402	2.1
372.10046	1.2
375.12683	2.4
382.08365	1.6
383.09235	1.3
384.09982	0.9
387.12299	1.2
397.10715	3.8
398.11520	1.0
399.12930	1.4
400.09586	1.7
402.46964	0.8
408.32056	0.8
413.13943	1.8
414.15198	1.3
415.11856	14.6
416.12015	1.7
429.13373	1.8
430.14197	15.8
431.14651	1.5
445.16559	100.0
446.16898	11.8
463.17618	1.9
477.23251	1.6
505.18906	0.9
505.94492	0.7
520.75513	0.8
581.26410	1.7
625.18530	1.2
625.28473	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	625.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	27.3
61.61005	2.9
61.98823	9.7
69.04367	19.4
69.04776	5.0
79.25590	2.7
79.64627	2.8
86.26994	3.2
93.03471	5.4
109.02911	3.5
121.02962	9.9
122.03748	12.9
125.02485	4.1
137.02451	4.3
149.02457	43.0
150.03235	96.2
164.04807	6.5
165.05591	100.0
166.05980	4.2
180.04288	6.5
195.06642	59.9
268.07245	3.8
279.65366	3.1
311.09158	6.6
323.09204	7.7
337.10660	3.7
339.08661	23.0
340.09171	5.0
354.11081	15.3
369.13443	58.0
370.13821	5.5
517.18542	21.0
518.19318	5.1
625.27991	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	625.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42823	0.6
52.63398	0.4
57.03438	1.3
59.01382	8.5
61.98826	4.4
69.03447	0.7
71.01382	4.8
71.05037	0.5
73.02963	2.7
74.25283	0.4
74.99114	0.5
78.95920	0.9
79.05530	2.3
80.61376	0.5
81.03470	1.6
83.01398	5.7
85.02943	1.7
87.00874	0.9
87.04547	1.2
88.92321	0.5
88.98798	0.7
89.02457	1.2
93.03487	0.9
97.73064	0.5
98.21713	0.7
101.02456	3.3
102.98613	2.5
105.03450	3.4
108.02179	0.9
109.02929	2.4
109.06618	0.7
113.02465	0.8
116.92867	1.4
119.12643	0.5
121.02975	2.7
122.03718	2.5
123.00912	1.1
123.04525	26.3
124.01674	1.7
125.02445	2.1
133.02945	0.5
135.04597	0.6
136.01564	0.5
137.02466	1.6
137.06053	0.5
139.03976	0.9
139.07726	0.5
139.11302	5.1
149.02451	8.3
149.09721	4.9
150.03217	1.5
151.00424	0.6
151.03978	1.2
151.07596	0.6
151.11278	0.5
153.01936	1.0
165.01933	0.8
165.09195	0.7
167.03482	1.6
169.01459	0.7
169.12376	1.3
179.03462	0.6
179.10757	1.0
181.12363	2.6
183.10284	7.5
193.08704	100.0
193.12370	2.1
194.09033	4.9
195.06627	4.1
196.27405	0.6
197.11891	1.4
199.13455	1.0
209.11778	0.8
221.11971	0.8
225.11313	7.6
235.04330	0.7
243.12395	6.2
249.11440	1.2
267.12347	1.6
270.05368	1.3
280.07455	0.6
281.06735	0.6
283.04974	2.6
285.13510	0.6
291.12399	1.6
298.04898	5.0
309.13467	0.6
311.07800	0.6
313.07297	3.6
313.10538	0.8
323.09302	1.7
327.14478	1.5
343.11816	0.9
343.15558	1.0
360.10120	2.4
375.12833	1.4
387.16617	7.2
387.56934	0.6
521.24445	0.7
551.93646	0.6
563.25287	0.9
575.19830	0.6
581.26062	28.8
582.26630	3.8
625.18896	4.2
625.27734	1.3
625.37500	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66088	0.4
55.01875	1.0
57.03439	1.1
59.01136	0.6
59.01387	8.0
61.29343	0.5
61.98836	3.1
64.11504	0.5
69.11613	3.4
71.01385	7.2
73.02942	3.9
74.39269	0.5
79.05540	5.7
81.03450	2.2
83.01392	4.3
83.05032	0.5
85.02959	2.8
85.06600	0.6
87.00908	1.1
87.04525	2.3
88.98796	1.1
89.02450	1.5
93.03458	0.5
95.01406	1.0
97.02977	0.7
99.00890	1.1
101.02455	6.0
109.02986	1.7
109.06627	0.5
112.17870	0.4
113.02450	2.6
121.02927	0.4
123.00885	0.5
123.04542	23.1
124.04853	0.7
125.02488	2.2
125.09754	1.4
134.03725	1.1
135.04509	0.5
137.02457	1.2
137.09734	1.1
139.11316	2.8
143.03479	0.6
149.02437	1.0
149.06044	0.6
149.09729	11.1
150.03165	0.5
151.04022	1.1
151.11310	0.5
153.01941	2.0
153.05629	0.5
155.10786	4.1
159.02861	0.6
161.02519	0.7
161.04581	1.9
161.09683	0.5
163.11330	0.6
169.01448	1.1
169.12364	0.9
179.03455	0.7
179.10820	0.6
181.12370	1.3
183.10297	4.5
191.07117	0.9
193.08708	100.0
194.09038	3.7
197.11948	1.0
199.09749	0.7
199.13336	0.6
216.03043	0.5
225.11320	5.1
243.12430	5.2
249.11473	0.9
267.12408	0.5
285.13440	0.8
289.07297	0.8
291.12323	1.0
297.06186	1.9
312.06418	0.8
313.07220	1.0
327.14520	1.5
369.15591	0.6
375.27527	0.6
383.29584	0.5
387.16608	4.2
391.27084	0.6
463.34396	4.5
493.29990	0.7
521.24054	0.9
563.24719	1.6
581.26007	25.6
582.25848	3.1
587.14020	0.6
625.15814	2.1
625.27136	5.4
625.39386	10.5
626.27051	0.8
626.39569	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	19.8
69.17091	3.9
69.17507	2.0
71.01388	14.0
72.99315	1.6
73.02937	1.9
80.02678	1.3
81.03449	2.0
83.01402	2.3
83.05034	6.5
84.02188	0.9
85.02922	1.9
87.00892	2.8
89.02449	16.5
95.01397	1.1
95.05046	1.0
96.96016	1.8
97.02959	2.9
101.02448	13.5
111.00870	2.0
113.02468	4.4
119.03531	5.3
125.02444	5.1
125.06069	0.9
131.03516	0.8
135.04520	0.8
143.03555	1.6
145.60030	0.8
161.04549	3.1
163.11336	5.3
165.12842	3.4
173.97818	0.8
179.05666	4.3
181.12346	0.9
191.10587	1.0
204.79071	1.0
209.11842	100.0
210.12144	5.6
221.06693	1.1
227.12914	18.3
228.13179	0.9
235.08215	4.5
253.09210	1.6
268.07336	2.4
283.09750	5.9
287.07773	1.1
300.99832	0.8
367.63351	0.8
397.13535	31.1
398.13895	1.4
415.14597	17.0
607.27222	0.9
625.26416	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67799	0.7
57.03453	1.2
58.00583	1.2
59.01385	28.5
61.98834	0.9
63.96241	1.1
69.03455	1.3
71.01389	19.1
71.29194	1.5
72.99289	1.8
73.02953	3.2
74.99084	2.7
80.02692	1.6
81.03469	2.3
83.01389	2.5
83.05029	4.7
84.02190	1.3
85.02935	5.5
85.03384	0.8
87.00900	4.5
89.02452	25.9
95.01369	1.3
95.05027	1.2
96.96003	0.9
97.02954	2.3
99.00818	0.9
101.02451	20.5
108.02188	1.2
109.02963	1.4
111.00903	4.2
111.04535	1.2
113.02462	9.5
119.03519	9.4
125.02464	7.3
125.53638	0.9
131.03528	1.2
135.98358	2.7
136.99174	2.3
143.03516	5.3
151.03952	1.2
152.34108	0.9
161.02435	0.9
161.04570	4.4
163.04041	0.9
163.11317	3.9
165.12892	1.7
169.01422	1.7
179.05626	14.9
181.12308	1.2
190.06334	0.9
191.10762	1.0
209.11850	100.0
210.12167	4.8
221.06613	4.2
227.12909	22.0
228.13307	1.0
235.08255	5.1
239.39322	0.8
253.09099	1.1
268.07443	2.3
275.02081	1.0
283.09738	3.0
287.07535	1.2
300.99838	4.8
301.10855	1.6
305.08600	1.3
315.07089	0.9
323.09485	1.3
327.12433	2.5
373.51083	0.8
397.13559	29.6
398.13748	2.3
415.14706	17.0
489.17599	1.1
537.14117	1.3
625.08228	1.4
625.25873	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.8
57.03441	0.8
58.00593	0.7
59.01385	21.2
61.98836	0.6
71.01385	15.8
71.05061	0.7
72.99318	1.5
73.02947	2.7
74.99093	1.3
80.02670	1.6
81.03458	2.6
83.01388	1.8
83.05039	6.5
84.02179	1.0
85.02949	3.0
87.00880	4.1
89.02449	18.1
95.01396	2.0
95.05007	0.6
97.02968	2.6
99.00885	1.1
101.02454	12.2
111.00885	4.9
113.02455	6.2
119.03512	6.5
121.02940	1.0
123.04551	0.6
123.59354	0.5
125.02452	5.3
125.06053	0.8
130.60683	0.5
131.03516	0.6
135.08148	0.6
135.98341	1.1
136.99113	1.0
137.02501	0.6
143.03511	2.2
145.02936	0.6
149.04616	0.7
149.37250	0.5
151.03990	0.9
161.02470	0.7
161.04579	2.7
163.11282	4.7
165.12871	2.2
167.03467	0.6
169.01454	2.1
179.05653	6.0
181.05223	0.6
181.12292	0.6
191.10825	1.0
209.11841	100.0
210.12196	5.6
221.06676	1.2
227.12903	19.1
228.13242	0.6
235.08255	4.5
249.04095	0.6
252.07820	0.6
253.09230	1.4
263.07645	0.7
267.06686	1.0
268.07428	2.1
275.02054	0.9
283.09811	2.2
287.07758	0.9
289.07059	0.7
299.99017	0.6
300.99924	3.9
301.03564	1.5
301.10797	1.8
305.08990	1.2
327.12399	0.7
397.13544	27.8
398.14026	2.7
415.14603	18.9
416.14706	1.0
463.05322	0.9
489.17819	1.5
537.13696	0.8
625.07825	0.8
625.26843	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.5
59.01385	10.0
61.98833	9.8
68.99547	1.4
69.11777	0.8
69.62229	3.1
71.01386	8.8
73.02953	5.1
83.01389	1.3
85.02946	4.2
87.04515	1.5
88.98811	2.1
89.02431	3.6
93.03450	1.3
95.01378	0.7
95.05033	1.1
96.96046	0.9
97.02944	1.1
98.21880	0.7
99.00877	1.1
101.02454	3.8
107.01340	0.7
112.98566	0.7
113.02473	3.7
116.92876	2.2
119.03538	0.8
119.08665	1.0
121.02978	0.8
122.03739	0.9
123.04533	0.9
123.08174	1.5
125.02441	3.7
134.49171	0.6
135.08173	6.9
137.02443	1.9
137.09732	21.4
149.02434	0.8
150.03229	2.1
151.04036	0.9
155.10793	83.2
156.11092	3.2
165.05583	1.1
167.03342	0.6
169.01430	2.1
181.08707	2.9
195.06662	1.0
199.09779	15.4
209.04604	0.7
237.14960	1.1
241.10883	1.1
243.06873	0.8
288.92053	0.7
298.98578	1.0
312.99847	1.9
314.00534	1.5
329.03064	2.9
425.18283	1.7
563.21283	2.0
581.29803	16.4
582.30487	1.4
607.27728	2.6
625.28595	100.0
626.29089	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	625.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85706	1.3
76.75985	1.1
81.03464	88.5
82.03805	1.8
82.93647	1.3
84.78852	1.1
85.40301	1.6
97.02934	1.7
99.92587	1.3
116.92871	18.8
125.02467	10.3
133.01448	1.7
133.03012	1.5
134.03438	1.2
145.02974	2.0
153.01978	1.2
161.02460	2.5
205.38829	1.5
313.24081	1.4
409.34763	4.3
453.33667	13.7
455.35333	100.0
456.35666	12.7
511.66190	1.3
537.39240	1.9
581.38525	60.9
582.38739	9.9
587.37958	1.6
617.38611	2.4
618.39215	1.6
619.39581	1.4
625.37299	5.9
631.35504	2.7
633.37659	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16748	4.7
53.47535	4.9
65.74769	4.7
71.29228	7.5
78.95882	6.3
114.63742	5.2
152.99617	7.4
166.02689	19.8
173.69119	5.3
181.08702	31.9
221.54031	4.5
222.09081	25.9
223.15280	4.7
375.21768	100.0
376.21973	8.7
443.28024	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
69.57298	14.0
98.22425	3.6
113.09738	5.8
131.17766	2.8
165.01881	3.0
166.02731	31.9
181.08711	40.3
190.78877	2.3
221.08278	3.6
222.09004	22.9
261.11353	7.2
275.12836	4.2
366.39227	2.9
375.21774	100.0
376.21942	7.3
443.28131	21.6
444.28497	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	625.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
63.39463	3.2
70.49590	7.8
113.09689	4.3
120.60706	3.3
124.50886	3.5
133.43600	3.8
143.58574	4.1
166.02737	28.4
181.08733	31.9
209.41675	3.3
222.09029	29.0
375.21796	100.0
376.22208	8.1
443.28030	17.0
553.21350	3.7
584.83667	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	625.375
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.1
61.98827	4.5
81.03465	51.5
84.96220	2.8
91.48492	2.9
97.02956	7.7
116.92852	14.2
118.00129	2.6
118.34138	2.6
125.02413	9.7
126.79171	3.4
129.15398	2.7
145.02946	6.0
161.02365	3.4
169.01414	4.2
207.21257	3.3
317.76334	2.7
340.94308	3.1
433.42804	3.1
453.33868	13.0
455.29031	5.2
455.35373	100.0
456.35529	15.7
581.38562	34.7
582.38794	3.9
625.37042	15.1
633.37366	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	625.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68780	42.6
88.98820	39.7
98.22540	100.0
103.90033	38.0
143.74257	42.6
156.05826	39.0
389.19833	47.6
589.38873	75.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08257	3.7
58.65089	3.9
59.01377	5.4
61.98844	33.9
64.00510	3.9
66.91270	4.1
68.62373	3.9
71.01402	5.2
71.29461	4.1
74.36263	4.5
85.00084	3.4
85.02986	3.9
88.98814	11.4
94.60667	4.3
96.96023	14.6
101.02428	5.3
102.98579	5.0
103.33522	4.3
109.02966	8.4
116.92855	5.1
120.99628	3.9
123.00950	5.6
125.02481	21.7
137.02470	12.2
139.04095	4.6
151.04007	8.9
165.01817	5.7
169.01439	13.8
177.01949	6.3
179.03487	37.7
182.60498	4.2
194.05844	52.4
197.04668	7.4
205.81618	4.4
207.02975	14.7
209.08199	100.0
209.10052	7.7
210.08456	4.3
211.09859	8.0
220.63641	4.0
240.38617	4.4
243.06624	12.0
289.07358	6.0
298.98453	4.6
312.98886	4.0
313.06775	4.0
421.18839	27.8
475.12671	5.2
546.94482	5.1
563.21161	9.9
611.45172	4.4
627.13544	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	626.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08257	3.7
58.65089	3.9
59.01377	5.4
61.98844	33.9
64.00510	3.9
66.91270	4.1
68.62373	3.9
71.01402	5.2
71.29461	4.1
74.36263	4.5
85.00084	3.4
85.02986	3.9
88.98814	11.4
94.60667	4.3
96.96023	14.6
101.02428	5.3
102.98579	5.0
103.33522	4.3
109.02966	8.4
116.92855	5.1
120.99628	3.9
123.00950	5.6
125.02481	21.7
137.02470	12.2
139.04095	4.6
151.04007	8.9
165.01817	5.7
169.01439	13.8
177.01949	6.3
179.03487	37.7
182.60498	4.2
194.05844	52.4
197.04668	7.4
205.81618	4.4
207.02975	14.7
209.08199	100.0
209.10052	7.7
210.08456	4.3
211.09859	8.0
220.63641	4.0
240.38617	4.4
243.06624	12.0
289.07358	6.0
298.98453	4.6
312.98886	4.0
313.06775	4.0
421.18839	27.8
475.12671	5.2
546.94482	5.1
563.21161	9.9
611.45172	4.4
627.13544	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	626.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
68.95971	8.2
69.03349	41.9
69.03778	36.5
87.56236	8.7
93.03484	56.2
103.82684	10.8
125.02423	17.2
130.01170	8.6
137.02463	100.0
153.55412	8.7
181.05074	40.6
196.07370	48.8
211.09807	96.0
254.19452	8.7
281.06860	11.9
420.02655	9.7
421.18768	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.0994
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52774	0.6
58.47676	0.6
59.01382	8.0
61.98835	0.9
63.02397	5.3
65.00320	8.2
67.01848	0.6
68.99808	1.4
69.29012	2.2
69.29421	1.7
71.01390	11.5
72.11528	0.6
72.99326	1.2
73.02935	1.0
80.60845	0.6
83.01398	5.2
85.02958	5.2
87.00900	1.5
89.02459	1.3
91.01919	1.5
93.03452	2.2
95.01401	2.9
97.03010	0.8
99.00880	3.9
100.98811	1.0
101.02445	1.0
103.00387	1.3
107.01395	11.6
108.02161	3.1
108.41692	0.6
109.02943	5.6
111.00880	1.3
113.02462	7.0
115.00353	1.6
116.92884	2.3
119.05086	0.9
120.99685	5.2
121.02151	1.1
121.02962	9.5
123.00879	0.8
123.04532	6.1
124.01633	0.9
125.02444	2.2
135.00893	1.6
136.01645	0.9
137.02455	2.6
138.82346	0.6
139.04062	0.7
145.02965	0.9
148.01671	1.3
149.02451	1.6
151.00378	41.1
151.04028	0.9
152.01067	3.0
153.01944	0.9
157.01472	1.5
159.02948	1.3
159.04454	0.9
161.02477	1.2
163.00385	4.2
163.04071	0.7
164.01163	1.4
165.01930	1.1
167.03497	12.1
167.04906	0.9
169.01462	2.1
171.04448	0.7
175.02466	1.4
175.03973	1.0
178.99875	18.8
179.03430	1.2
181.05022	1.0
183.04541	0.9
187.04082	0.8
189.01947	0.8
192.00742	0.8
193.01395	1.3
199.04012	1.4
201.05603	0.8
203.03537	1.1
209.04596	1.1
211.04027	2.0
215.03566	0.9
216.04080	0.7
221.04567	1.2
226.02679	1.1
227.03526	3.5
229.05040	1.1
239.03539	1.1
243.03049	8.2
245.04608	2.1
248.21948	0.7
254.02249	1.0
255.03004	15.9
256.03540	1.1
257.04474	0.8
266.02512	0.7
271.02490	36.4
272.03015	3.2
273.04047	2.3
281.06943	0.7
283.02536	2.7
284.03061	0.8
285.04181	1.0
299.02066	6.1
300.02777	50.6
301.03546	100.0
302.03903	4.6
314.04456	1.0
325.05756	6.7
373.93225	0.8
421.88452	0.7
433.38510	0.7
459.05716	81.5
460.06143	8.4
465.11819	1.7
477.17780	1.0
581.31586	1.3
597.19952	1.0
627.09851	17.6
627.20404	1.5
627.30994	0.9
628.10364	2.5
636.84753	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39363	0.4
53.21167	0.5
53.79319	0.5
59.01399	2.3
65.00291	0.6
67.01879	0.8
67.54478	0.6
69.03435	1.0
71.01385	5.0
71.29272	0.9
73.02953	1.1
74.99100	0.9
79.01906	0.5
81.03473	1.9
83.01391	0.7
85.02963	3.0
87.00885	0.9
89.02453	0.7
90.35389	0.5
93.03480	1.1
95.01396	3.5
96.96045	0.5
99.00919	0.8
101.02459	2.7
107.01390	3.0
108.02184	62.7
109.02975	30.7
109.72411	0.5
110.03318	1.1
111.00922	1.5
113.02419	2.6
121.02964	7.1
123.00903	5.1
123.04528	7.5
124.01669	1.5
124.25250	0.6
125.02458	6.0
133.21352	0.5
134.03702	0.6
135.00911	2.7
136.01654	0.7
136.99162	0.6
137.02478	1.1
149.02469	1.2
149.06042	0.5
151.00409	3.4
151.04068	3.0
152.01170	74.4
153.01962	33.1
154.02290	1.4
161.02437	0.6
163.04053	2.0
165.01973	1.4
166.02747	2.4
167.03508	21.5
168.03827	1.0
169.01442	4.5
170.01758	0.6
177.01953	1.8
177.05612	0.5
178.99847	0.8
179.03526	0.6
181.05072	1.3
187.03961	0.5
191.05493	0.5
193.05147	0.6
195.02994	1.8
203.03482	0.5
207.02905	0.6
209.04556	4.2
220.96191	0.6
225.04005	0.7
229.01575	0.9
231.03035	0.8
243.03171	0.6
249.04044	2.6
250.04518	0.7
275.02045	2.1
276.02209	0.6
281.06674	0.8
296.05389	2.1
297.06180	6.8
298.06696	0.7
298.98306	0.6
299.98907	0.8
300.99728	2.9
302.00241	0.9
311.07736	10.0
312.10312	0.7
315.07199	4.9
327.12543	1.4
375.14578	1.4
421.11578	3.1
433.07794	2.2
461.11041	1.7
465.10385	100.0
466.10809	9.6
479.11911	0.8
489.10165	0.6
507.11368	4.7
540.12915	0.9
583.16571	0.8
627.15686	43.9
628.15991	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	627.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14824	0.5
59.01363	1.9
61.98821	2.3
68.26000	0.6
69.03441	1.1
69.34537	2.9
71.01395	3.0
79.01910	0.7
81.03471	0.9
83.01400	0.8
85.02953	2.1
88.98792	0.8
93.03481	1.7
95.01400	1.7
97.02971	0.5
98.22501	1.1
99.00851	0.6
101.02448	1.5
107.01388	0.6
108.02184	56.2
109.02980	26.1
110.03326	0.7
110.78542	0.5
113.02483	1.1
121.02963	3.5
122.53954	0.5
123.00888	1.2
123.04493	1.1
124.01627	0.6
125.02460	1.7
134.03752	3.0
135.00902	1.4
135.04558	2.7
137.02428	1.8
145.02934	1.7
149.06105	1.5
151.03981	0.8
152.01166	58.9
153.01964	20.2
154.02219	0.5
161.02484	0.5
163.04048	1.1
167.03444	0.8
177.01915	0.7
179.03499	0.8
225.05913	0.5
237.05661	2.1
238.06300	1.1
239.07167	0.6
240.04297	0.6
253.05278	1.0
254.05830	3.0
255.06635	9.1
256.07294	1.5
269.08167	2.2
270.09018	4.6
271.09683	3.6
273.07642	0.7
282.05374	1.4
284.06833	0.6
285.07910	0.6
285.11368	1.4
297.07623	2.0
299.05634	2.0
299.08911	1.1
300.06235	1.0
313.07220	1.0
313.10968	0.7
314.07944	3.7
315.08273	6.9
329.10349	10.8
330.10904	0.8
357.09848	2.3
361.65659	0.5
371.11194	0.7
373.26019	1.2
385.13208	0.6
395.78967	0.6
399.10760	0.6
413.12350	0.7
451.79797	0.6
459.13101	3.4
460.13113	0.8
473.14462	1.6
583.18445	3.2
595.14563	2.9
627.17206	100.0
628.17609	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	627.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
68.43297	0.6
71.01381	0.9
78.76256	0.6
87.63813	0.6
88.98813	0.7
89.02448	0.7
95.01393	0.7
108.02183	52.7
109.02991	10.5
121.03014	1.0
123.04541	0.6
125.02415	1.1
133.01494	1.2
133.03001	1.0
134.63211	0.7
151.03999	1.1
152.01172	43.6
153.01959	21.6
154.02299	0.7
156.95665	0.5
163.04080	1.2
165.01921	0.9
169.01456	0.6
177.01994	0.6
180.93942	0.7
200.49721	0.7
234.29189	0.5
285.06186	100.0
286.06567	4.6
335.16495	0.7
341.10941	0.8
377.82764	0.6
465.09888	0.8
468.04660	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.9
59.01370	1.4
68.99803	1.1
69.62605	2.5
71.01394	3.9
81.03450	1.3
81.87663	0.7
83.01404	2.1
84.17965	0.7
85.02981	1.7
85.15646	0.7
93.03456	0.8
95.01408	2.6
96.96021	2.5
97.02963	1.1
97.87474	0.6
101.02430	2.2
107.01392	0.8
109.02959	2.4
111.00885	3.2
113.02469	1.9
116.92866	1.8
117.15856	0.6
121.02953	3.2
122.03782	0.9
123.00901	44.1
123.04542	1.3
124.01685	15.9
125.02488	6.5
127.00391	3.3
136.98822	1.9
137.02457	5.2
138.03241	17.0
139.00412	4.0
139.04034	14.9
141.01987	0.8
148.45026	0.7
149.02449	1.2
151.04033	1.3
153.01974	1.9
153.05605	4.7
154.02727	0.9
165.01979	1.0
166.99905	1.8
167.03497	1.1
168.00653	1.5
169.01402	3.2
177.01923	1.9
181.01483	2.7
181.05077	1.1
182.02232	9.3
183.02986	12.1
197.04558	14.7
224.84804	0.8
243.06442	0.9
275.01874	0.8
281.06802	1.2
289.07150	2.3
300.99939	2.1
301.03638	0.8
308.55176	0.7
311.07565	0.9
320.57462	0.7
326.06491	3.3
327.07266	5.2
341.08865	14.6
466.10950	1.0
471.61459	0.7
481.13553	100.0
482.13913	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	627.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50807	0.7
59.01371	2.6
60.99313	9.3
64.42207	0.8
67.01876	0.9
71.01378	2.2
76.79751	0.7
77.19853	0.7
79.01909	1.0
80.55802	0.9
83.01418	1.3
88.98813	41.9
89.02454	1.0
93.86051	0.7
95.01379	1.5
96.96037	0.8
99.67582	0.7
101.02445	1.8
107.01389	3.1
110.80353	0.8
111.00910	1.0
119.20799	0.8
123.00895	9.7
124.01689	1.2
125.02459	15.8
136.98848	1.1
139.00410	4.0
140.01173	2.8
141.01929	1.3
145.08672	0.7
151.00378	9.3
153.01912	1.0
156.37466	0.7
161.02480	0.9
165.01903	0.9
168.00626	2.8
169.01434	21.4
169.02843	1.4
205.12283	1.4
211.02480	4.1
225.05812	0.9
271.04581	4.6
289.07053	0.9
313.05756	2.2
475.12799	1.1
537.19806	100.0
538.20160	10.3
539.12097	1.6
593.98773	0.9
627.14886	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2088
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
59.01383	7.0
61.98828	5.9
69.03453	1.1
70.11961	3.0
71.01363	4.2
77.03951	1.3
83.01422	1.2
83.05101	0.9
86.05644	0.9
86.92044	1.0
93.03469	2.7
94.15852	0.9
95.01392	1.8
101.02447	1.2
103.15024	0.9
108.02190	3.2
109.02967	2.7
111.04469	1.0
113.02464	1.5
116.92910	1.1
121.02947	3.4
123.00913	1.4
123.04557	2.1
125.02469	6.0
132.02103	1.2
137.02454	3.1
149.02470	2.3
149.06039	1.2
150.03323	1.1
150.06883	3.6
152.01137	1.1
153.01982	1.3
165.01918	2.7
167.03569	1.0
175.18956	0.9
177.01964	1.6
179.07129	1.5
179.10777	1.6
181.12415	1.4
183.10172	1.0
184.69209	0.9
187.04063	1.4
197.06116	1.8
206.18398	0.9
209.11832	1.1
211.80267	1.1
225.05530	3.1
241.05067	66.1
242.05481	3.7
253.05133	1.9
255.03061	1.8
255.06612	3.0
269.04565	88.5
270.05258	11.4
271.09363	0.9
282.05493	1.2
283.06067	1.1
284.07007	4.2
298.04828	70.3
299.05615	38.9
299.09262	10.4
300.05951	1.6
357.26404	1.3
445.16940	1.6
446.16733	1.3
447.17325	3.8
465.18570	1.7
465.32373	1.7
545.32751	1.0
627.20874	100.0
627.29468	3.8
627.37256	5.4
628.21210	13.3
628.30328	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	1.6
61.98833	2.1
64.18849	0.8
65.19530	1.1
69.12936	0.8
70.61604	1.8
72.99302	0.9
89.02441	1.0
108.02221	1.2
110.44611	0.8
111.04539	2.1
111.36765	0.9
116.92854	2.2
121.02975	1.7
125.02444	1.5
134.03763	2.8
137.02481	6.0
144.50722	0.8
145.02963	1.0
149.02477	1.6
150.03275	1.3
162.03230	7.2
163.04027	1.8
171.10378	1.0
175.04051	1.2
176.04814	2.6
177.05435	1.0
182.02182	0.9
183.06622	1.0
211.13367	2.8
213.05574	1.0
224.28897	1.1
241.05084	1.8
246.48378	0.9
265.05142	2.0
266.05817	1.8
267.06631	3.4
269.04465	4.6
271.09644	1.1
283.06174	10.4
284.06891	24.5
285.07452	2.0
299.09274	100.0
300.09592	8.4
327.12384	2.7
386.91425	1.0
391.24722	2.2
397.25580	1.1
403.13904	1.3
440.56836	1.2
457.33423	2.2
510.43152	1.0
583.29065	1.2
609.31897	1.4
627.19934	2.9
627.34357	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.1
59.01381	13.8
61.98824	3.8
68.91716	0.8
69.97452	3.0
71.01378	3.5
72.99306	1.3
74.99105	2.8
85.02946	2.2
87.00875	2.6
89.02445	3.3
92.50121	0.9
95.01404	2.1
95.23238	0.9
96.96023	1.7
97.02972	1.3
101.02480	1.9
108.02209	1.6
109.02959	8.0
111.00899	2.2
111.47659	0.9
113.02464	1.8
115.34971	0.8
120.99676	1.0
121.02975	2.0
123.00888	3.6
123.04523	7.0
124.01651	1.8
125.02451	8.4
129.46947	0.8
136.01674	10.8
136.99165	2.4
137.02434	4.2
139.00366	0.9
139.04004	3.3
145.02963	1.9
147.04520	1.3
149.02408	2.0
150.03247	1.2
151.00385	11.1
151.04024	16.8
152.01224	2.0
153.05586	2.2
158.03784	1.0
159.04524	2.8
160.01675	1.4
160.05331	4.5
161.02472	2.1
161.04596	0.8
161.06044	1.2
163.04021	1.7
164.04756	1.7
165.01926	11.1
165.05576	1.5
166.02725	27.5
167.03416	2.4
169.01434	5.0
173.01041	1.2
173.02457	3.4
173.06030	1.1
174.03236	2.1
175.04021	2.1
175.07640	6.1
177.02049	1.2
177.05574	2.0
178.06297	5.8
179.03488	3.8
179.07152	1.1
180.04279	5.8
181.05070	45.1
182.05405	2.0
188.04756	0.8
190.02708	0.9
190.06433	0.9
191.03564	1.1
191.05577	2.4
191.07135	1.1
193.08691	9.4
195.06674	5.9
205.05214	1.1
209.08246	1.4
209.11774	1.4
210.05244	1.1
225.05719	1.1
225.07613	4.3
229.01515	1.9
245.00822	1.2
246.05138	1.0
249.04039	1.4
250.04533	1.0
254.05899	2.3
266.05640	1.0
269.08316	2.4
275.02011	1.5
277.06979	1.2
279.06741	2.4
282.05325	24.4
283.05621	2.0
285.04233	1.1
289.07172	3.4
291.05280	1.9
297.07700	31.0
298.08014	2.1
299.99152	1.2
300.99927	27.5
302.00287	3.6
311.07913	2.9
312.10059	41.8
313.10425	3.6
327.12390	80.0
328.12695	6.7
337.09369	3.7
342.10986	1.5
345.13437	22.6
346.13885	1.6
357.13416	1.2
375.14493	100.0
376.14801	7.6
387.14453	11.6
405.15579	12.2
406.16101	1.4
416.15143	0.9
455.08252	3.0
537.19910	1.6
567.21075	1.1
607.09619	1.4
623.60809	1.0
627.18634	6.4
627.28735	1.7
628.19324	1.3
654.20532	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69844	1.3
57.03436	4.8
59.01382	100.0
61.98832	3.9
69.27669	9.0
71.01373	4.5
73.02957	3.3
77.96790	1.2
83.05046	1.4
85.02976	2.9
87.00881	10.3
88.98831	2.3
89.02465	2.6
92.34244	1.2
97.02962	2.5
97.06657	1.5
98.22518	2.9
99.04523	6.4
101.02448	6.2
109.03020	1.8
111.04491	1.9
113.02458	2.1
119.08665	3.4
121.06583	3.2
123.04552	2.5
125.02461	3.9
133.10287	2.8
135.08215	3.3
135.11848	1.3
136.83173	1.3
137.02469	3.2
137.09752	7.6
143.03523	1.2
149.09744	1.3
159.11806	4.9
161.02536	1.6
161.09708	7.4
163.07671	5.1
164.04942	1.5
167.03569	1.9
169.01466	2.1
179.10796	12.7
181.08759	13.4
189.95177	1.3
197.11845	58.7
198.12218	1.9
205.08647	2.0
221.11871	2.8
223.09760	22.3
239.13124	1.3
241.10838	86.0
242.11192	3.0
243.06659	2.3
283.11890	30.6
283.14893	1.8
284.12244	1.7
313.13092	12.7
336.73389	1.3
343.13977	69.9
344.14371	3.1
385.15207	1.6
403.16135	52.6
404.16415	3.4
583.27753	6.0
627.16614	2.5
627.26666	46.1
628.26483	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	627.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23720	0.5
51.61765	0.6
59.01382	100.0
60.01728	0.6
61.64146	0.6
63.80005	0.6
69.02857	4.8
71.01368	0.8
91.27042	0.6
98.21730	1.1
101.02501	0.7
113.02489	0.7
117.18395	0.5
128.78773	0.6
128.90198	0.7
137.02470	5.6
139.99124	0.5
151.52634	0.7
152.04803	1.0
161.04588	0.7
168.75816	0.9
181.05058	5.3
182.05649	0.7
196.07433	16.3
211.09769	40.5
212.10214	1.6
213.59315	0.6
405.19189	15.3
406.19788	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
61.82114	1.2
69.42490	7.3
71.05023	1.8
75.76603	1.3
83.05039	1.4
88.34447	1.2
92.99749	1.4
95.05055	2.7
97.03003	1.4
100.21509	1.3
109.06604	2.5
111.04529	5.6
113.09743	11.9
123.08199	2.6
125.06108	4.7
135.04474	1.4
137.02481	1.8
138.03221	3.1
139.04022	7.2
150.06799	1.5
165.01987	4.9
165.09190	8.5
166.02722	17.3
166.06387	1.4
177.09372	1.3
179.10840	5.9
181.08722	84.7
182.09035	3.8
193.08746	2.3
207.06619	4.3
208.07416	40.7
209.08211	18.0
221.08284	2.5
222.08974	21.6
223.09753	28.0
233.08223	1.8
247.09758	7.0
261.11356	8.9
265.14435	1.8
276.13522	2.0
277.14526	13.0
289.14478	2.6
307.15686	3.6
313.65558	1.3
359.18634	3.6
377.19720	100.0
378.20038	7.1
391.21317	81.4
392.21649	11.4
445.26022	34.8
446.26407	4.3
627.35260	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	627.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26544	0.6
69.40317	1.2
69.40728	2.2
77.64236	0.6
100.93414	0.6
109.06617	0.7
111.04518	1.1
113.09728	5.5
123.08121	1.8
125.06061	2.9
125.28608	0.7
132.38997	0.6
136.05292	0.7
137.02519	1.0
138.03250	3.0
139.04002	0.9
165.01952	2.7
166.01299	1.2
166.02733	23.4
167.03073	0.9
179.10751	3.6
181.08719	39.0
182.09027	2.3
189.09106	0.5
205.05043	0.7
205.08717	0.7
207.06633	1.5
208.07401	6.2
209.08122	1.4
220.10361	0.6
221.08180	2.7
222.08977	29.8
223.09572	2.8
233.08174	1.8
237.67830	0.7
247.09781	1.8
260.16669	0.6
261.11319	12.2
262.11664	0.9
265.14389	0.7
276.13770	0.7
277.14532	1.0
289.14389	0.7
307.15570	1.4
335.27240	0.6
343.18939	0.6
359.18677	0.6
373.20203	2.0
377.19714	14.5
378.20062	1.0
391.21292	100.0
392.21640	9.6
432.49362	0.8
435.17667	0.8
435.23889	0.7
445.25967	29.4
446.26318	3.4
627.35077	1.0
628.35834	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.0
85.02957	1.3
98.22545	2.2
99.00901	1.5
99.08167	1.4
101.06073	0.7
111.04533	1.3
113.09708	1.8
125.06088	4.9
129.02019	0.6
137.36024	0.6
139.04050	1.3
139.07706	1.4
154.02769	0.7
155.07088	1.3
165.09221	1.1
166.02754	1.4
167.03430	0.8
179.10753	1.6
181.08730	11.3
182.02219	3.7
183.06633	9.8
193.08601	1.2
205.12305	0.9
207.10257	1.8
207.13913	3.0
208.07356	1.3
209.08200	5.7
210.08395	0.9
221.08125	1.7
221.15482	1.1
222.08994	2.3
223.09782	5.8
237.07640	1.4
238.08475	11.0
265.14352	1.4
277.14478	2.8
333.20770	1.3
333.45645	0.7
363.22003	1.4
375.21854	1.0
377.19748	9.3
391.21292	100.0
392.21588	10.7
445.26099	6.7
627.32062	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.3
60.87819	0.7
68.57197	0.5
73.60903	0.6
83.05048	0.8
85.06585	1.0
87.04517	0.9
98.21761	1.3
109.06590	1.3
111.04538	1.4
113.09749	11.2
117.86776	0.6
118.46104	0.6
121.45856	0.6
123.08181	3.9
125.06081	4.4
136.05307	3.6
137.02481	1.3
137.09714	1.7
138.03239	6.7
139.04041	1.7
145.89209	0.6
165.01976	4.9
165.09210	1.2
166.02728	40.4
166.06361	1.6
167.03035	1.3
167.07292	0.6
170.02214	1.0
179.10791	5.6
180.04274	0.9
181.08720	50.0
182.09044	2.4
203.13034	0.5
205.05182	1.0
205.08728	0.8
207.06575	1.5
208.07426	2.6
209.08203	3.1
221.08171	4.1
222.09001	30.3
223.09688	6.1
223.70566	0.6
233.08191	2.1
247.09801	1.1
261.11340	11.9
262.11728	1.1
275.12753	0.7
276.13599	1.2
277.14444	1.6
303.16257	0.8
307.15558	2.1
361.20331	0.7
373.20163	2.8
377.19791	9.6
378.20319	1.4
386.77759	0.7
391.21301	100.0
392.21616	12.8
445.26031	19.3
446.26172	2.4
627.34338	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
57.94446	1.8
61.98821	2.5
68.99804	2.1
70.49624	4.0
78.95883	4.4
81.13198	1.7
87.04526	1.9
88.16967	2.0
95.55611	2.0
97.02985	1.9
99.00903	2.1
99.08173	2.6
109.06581	1.8
111.04556	4.3
111.31742	2.0
113.09755	14.0
125.06093	9.8
127.07644	1.8
138.03177	4.2
139.04022	5.2
147.33624	1.8
152.99585	2.9
154.02679	5.6
165.01950	4.0
165.09222	2.9
166.02740	26.4
169.05072	5.1
179.10756	6.6
181.08716	100.0
182.09036	3.6
183.06650	8.0
205.12334	2.2
208.07445	8.3
209.08221	21.6
221.08180	3.5
222.08971	26.9
223.09773	36.3
223.91367	2.2
224.10023	2.8
233.08168	3.5
247.09967	3.0
260.74802	2.2
261.11313	15.9
261.26166	2.0
275.13065	2.4
276.13974	2.0
277.14474	8.7
359.18851	2.7
362.99164	2.0
373.20135	4.1
377.19757	24.3
378.20343	2.3
391.21292	84.8
392.21466	10.0
435.50229	2.1
445.25989	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	627.354
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07904	1.1
56.73972	1.2
57.03452	2.1
83.05025	1.2
85.02951	2.2
85.06623	1.2
87.04536	2.5
95.05032	3.6
97.02934	1.6
101.06094	1.4
107.05018	1.8
109.06605	1.8
111.04520	6.6
113.09735	10.5
123.08137	2.8
125.06088	9.5
127.07645	1.2
135.08253	1.2
136.05280	1.3
137.02486	1.8
137.09760	2.4
138.03194	2.0
139.03999	8.4
153.27977	1.2
154.02713	2.5
156.14006	1.3
165.01967	4.1
165.09245	8.5
166.02719	14.0
166.06335	1.3
169.05103	7.6
179.03511	1.5
179.07120	1.3
179.10838	5.5
180.04033	1.2
181.08717	71.5
182.02223	2.2
182.09010	2.9
183.06619	7.4
193.05058	1.5
193.08710	2.5
195.06639	4.3
195.86014	1.3
205.08652	1.4
207.06651	5.4
207.13977	2.7
208.07413	24.1
209.08199	54.3
210.08543	3.6
219.06497	1.3
221.08232	4.9
222.08974	14.2
223.09763	36.8
224.06915	4.5
238.08450	5.8
247.09804	5.6
261.11319	4.6
277.14453	16.3
278.15112	1.2
291.12451	1.7
293.13995	1.6
307.15506	1.8
313.96518	1.2
319.15433	1.5
333.20557	1.6
334.00812	1.1
342.58936	1.4
347.22208	1.4
359.18604	3.7
375.21701	1.8
377.19678	89.9
378.19821	7.2
390.12845	1.4
391.21271	100.0
392.21521	10.0
401.27167	2.3
445.25940	30.7
446.26477	3.6
613.16412	1.2
627.35187	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	627.4844
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	1.9
68.31098	1.2
69.06356	11.1
82.12721	1.1
91.24594	1.2
99.00922	1.1
99.63809	1.2
108.16563	1.6
115.92060	2.0
116.92858	2.7
125.09732	3.1
127.11301	7.0
139.11256	1.3
141.12779	1.1
143.10774	1.9
145.02985	2.2
146.72198	1.3
146.73463	1.5
155.10812	5.3
157.08693	1.6
157.12358	4.2
171.10295	6.6
295.22888	7.2
311.22134	1.7
313.23862	56.3
314.24353	5.0
329.23438	3.4
331.24911	57.0
332.25308	5.2
429.85730	1.1
481.55716	1.4
571.04187	1.1
627.48486	100.0
628.48895	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	629.0786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.6
57.03445	1.1
58.00579	0.7
59.01091	0.9
59.01380	15.3
67.01896	1.2
68.99799	0.7
69.03452	1.0
69.05733	3.1
69.06151	1.8
71.01384	18.3
71.94712	0.6
72.99301	2.0
73.02931	1.2
76.86695	0.5
79.01884	0.6
83.01375	1.3
85.02952	15.8
87.00887	4.6
88.86987	0.5
89.02438	0.7
95.01385	5.6
97.02931	1.2
98.22727	0.9
99.00876	3.9
103.00374	3.7
107.01389	5.0
109.02937	1.6
110.00064	1.0
111.00872	3.4
113.02458	19.9
115.00359	3.8
121.02948	1.3
122.03761	0.6
123.00885	9.3
124.01700	1.2
125.02457	25.1
129.01955	0.9
136.98895	0.7
137.02437	1.7
139.00368	5.6
139.03941	0.7
140.01198	2.3
141.01923	1.2
147.04509	0.5
148.65187	0.6
149.02458	1.8
150.03233	6.4
151.00369	9.4
153.01901	1.0
157.01387	1.8
161.02483	0.7
163.00351	0.5
165.01950	3.1
165.05565	7.4
165.07738	0.5
165.99030	1.0
166.99916	1.0
167.03511	1.7
168.00648	3.1
169.01427	32.2
170.01697	0.6
175.02502	8.0
177.01801	1.1
178.99846	2.1
179.03577	1.3
180.04298	0.7
181.01457	0.7
193.01474	1.3
193.03355	0.6
195.06651	9.2
207.02994	1.9
209.00920	2.3
211.02492	4.6
217.63124	0.5
230.32745	0.5
230.35402	0.5
235.02478	0.9
243.02850	0.8
255.03078	1.0
270.01691	0.8
270.98856	1.1
271.02420	4.7
271.04907	1.2
283.04800	1.0
287.02011	3.0
298.98370	1.9
299.01758	0.7
299.99103	9.8
300.02728	1.9
301.00049	1.2
301.03467	7.6
313.05756	0.6
314.00708	1.3
315.01477	9.5
316.02145	6.6
317.02875	2.5
327.03577	100.0
328.03900	6.0
407.17139	2.3
459.05817	5.0
459.53458	0.6
477.06799	6.8
479.08151	0.8
485.16806	1.8
539.20447	1.3
567.20935	7.7
629.08667	12.0
630.08081	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.0796
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19600	0.8
51.50469	0.9
51.66626	0.8
51.83731	0.9
57.03448	1.0
58.60154	0.8
60.39965	0.9
60.99283	1.0
67.01890	2.5
69.03455	2.7
71.01373	2.2
72.38093	0.8
79.01902	2.5
83.01450	1.1
88.98810	7.0
93.03457	13.5
95.01396	5.8
96.96010	5.9
97.02956	2.9
101.02489	1.1
107.01405	5.0
109.02963	5.6
111.00896	1.2
120.99684	1.6
123.00896	22.7
123.04518	1.0
124.01698	2.1
125.02459	78.5
126.02811	2.6
136.98883	0.9
137.02461	26.6
139.00410	4.4
139.03976	1.0
140.01161	2.6
141.01997	1.4
149.02405	1.2
151.00356	5.7
151.04013	1.6
153.01976	1.9
153.39339	0.9
161.02423	1.2
161.06076	1.6
165.01830	1.1
166.99876	10.6
167.03484	1.1
168.00659	7.0
168.04346	1.3
169.01437	100.0
170.01782	3.9
173.06126	1.1
177.01991	2.1
183.03096	1.6
191.07188	0.9
201.05603	3.2
229.01549	1.2
245.04695	1.9
254.36073	1.0
258.01843	1.1
270.98856	6.8
271.01584	1.0
275.01871	1.3
285.00500	2.1
289.03601	13.1
289.06900	1.7
298.98343	9.2
299.99112	14.9
300.99884	6.5
312.99863	3.2
313.05606	3.1
314.00729	4.6
315.01569	4.6
379.12234	2.5
464.94327	0.9
477.06863	7.8
478.08041	1.2
497.13086	13.5
498.13342	1.2
501.05115	1.0
541.17603	2.7
629.07855	56.6
629.17224	6.5
630.08057	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	629.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19471	0.8
54.50849	0.9
59.01146	0.7
59.01392	7.2
61.98819	1.3
65.00310	1.0
67.01889	0.9
70.97237	0.8
71.01387	5.8
71.57587	0.8
73.02937	1.5
74.99078	1.1
77.03975	1.4
77.46503	0.9
79.01881	2.9
83.01400	1.7
85.02977	1.9
85.86968	0.7
88.98813	4.0
89.02428	1.9
90.36616	0.8
90.89642	0.7
95.01379	1.4
96.95975	1.1
98.21821	1.8
101.02459	3.1
107.01380	3.5
107.83790	0.9
108.02180	2.4
109.02968	3.0
113.02446	2.4
120.99666	1.8
121.02968	6.2
123.00909	4.4
124.01669	3.4
125.02462	22.3
133.02927	1.0
137.02528	4.5
138.03250	4.6
139.04033	1.7
139.11322	1.1
148.01672	2.2
149.02466	4.3
151.00377	5.2
151.04045	0.9
152.15099	0.8
153.01965	1.3
153.05586	1.9
161.04605	1.0
163.00302	0.9
164.04802	1.4
165.01942	13.4
167.03490	1.4
169.01450	21.1
177.01959	2.4
179.00003	0.8
179.03543	1.5
179.07108	1.5
180.04312	1.4
182.05803	1.6
183.03038	1.2
183.10306	2.0
193.01431	5.3
197.08192	1.3
211.02473	1.3
213.07703	3.6
238.96910	1.0
240.04297	1.5
241.05202	1.8
243.12782	0.8
257.04596	6.7
258.05072	1.0
268.03735	1.6
269.04578	21.5
269.07492	1.2
269.34000	0.8
271.02499	1.2
285.04056	38.1
286.04510	3.6
297.03967	1.3
300.02948	0.9
301.03598	6.4
301.09277	1.3
304.19250	0.9
313.05634	3.8
314.04346	100.0
315.05066	41.4
316.02151	1.2
316.05475	2.5
345.15668	3.0
407.17102	7.7
408.17627	1.1
477.10574	43.6
478.10574	4.0
594.34283	1.0
611.23865	1.0
629.11462	86.6
629.21472	2.9
630.11877	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	629.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.9
60.99308	1.1
61.98833	3.4
65.00327	2.2
69.16299	8.1
71.01375	3.7
74.99101	1.3
83.01387	2.0
88.98831	2.6
93.82079	1.0
96.96028	2.4
97.02961	1.3
98.21762	1.8
107.01398	6.4
108.02187	3.9
108.07413	1.0
109.02944	3.7
111.00916	1.5
113.02475	1.8
120.99693	1.7
121.02990	3.7
123.00880	4.3
123.04499	2.1
125.02463	19.7
126.02853	1.1
135.04483	2.3
137.02461	3.5
139.00365	2.3
139.03999	2.6
148.01703	1.7
149.02437	4.7
151.00363	15.5
151.04008	1.5
153.01932	2.5
155.01315	1.0
163.00420	2.0
164.04810	14.5
165.01938	4.3
165.05505	1.4
167.07111	1.3
168.00679	4.2
169.01434	22.9
177.01987	1.4
178.99872	5.2
179.03439	1.4
179.07140	14.0
183.03004	6.7
183.04367	1.5
183.06633	1.7
193.01459	2.1
199.04091	1.7
215.03555	1.8
226.02753	1.4
227.03464	3.4
227.09187	5.2
243.02911	9.9
254.02187	2.5
255.03008	29.0
256.03299	1.7
257.04547	2.7
269.04651	3.0
271.02463	56.6
272.03131	4.9
283.02481	2.7
285.04086	7.1
299.02011	5.0
300.02765	92.2
301.03445	28.3
302.03806	1.3
313.05743	5.0
314.04358	29.9
315.05029	14.8
327.03549	2.5
327.07178	1.2
342.83078	1.3
393.37479	1.1
407.17136	6.8
410.57370	1.1
463.08826	34.0
464.09360	3.0
477.10501	15.5
478.10968	1.4
518.63318	1.2
629.11432	100.0
630.11823	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59023	0.8
59.01382	12.4
61.98832	0.9
62.76800	0.8
69.73354	3.3
71.01366	3.1
73.02946	1.0
74.99103	1.9
79.63393	0.8
87.00899	1.3
97.02902	0.8
101.02469	1.4
107.01383	4.0
109.02973	5.6
109.03609	1.0
111.00891	1.3
120.99651	8.2
123.00877	2.9
123.04528	2.7
125.02462	20.3
137.02452	37.8
138.03246	35.9
139.03673	0.8
149.06065	2.4
151.00378	3.5
151.04030	1.1
152.04787	9.4
153.01971	1.8
153.05588	33.6
154.78511	0.8
165.05540	0.8
166.02690	1.1
169.01453	23.4
170.02094	2.0
179.03477	1.5
180.04260	3.7
184.03760	3.6
195.06651	2.7
197.04578	3.4
198.05313	5.8
212.06912	19.4
213.07689	40.1
214.07942	0.8
243.03078	1.0
255.02870	4.5
271.02466	10.0
299.01984	4.5
299.99280	1.4
300.02747	22.0
301.03452	4.0
313.05682	6.3
314.04346	2.5
315.05151	11.4
407.17111	100.0
408.17453	7.8
463.08798	1.0
477.10477	2.6
629.11456	37.3
630.11652	3.8
651.64362	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47946	0.4
57.03443	0.5
59.01379	2.6
61.98814	1.1
67.01891	0.6
70.58887	1.2
71.01390	2.8
73.02936	1.2
79.01880	1.0
85.02949	1.6
87.00871	0.6
89.02403	0.8
95.01377	1.2
96.95961	0.7
101.02435	1.6
107.01391	6.3
111.00856	0.7
113.02428	1.0
123.00902	7.2
124.01698	0.8
125.02457	15.1
132.02193	0.6
137.02452	0.6
139.00410	2.9
140.01111	1.0
141.01964	0.8
151.00374	4.6
153.01910	0.6
160.01668	0.9
165.05568	0.8
168.00658	1.5
169.01427	19.0
172.01656	1.7
183.10324	0.7
185.02313	0.7
191.03416	0.6
200.01071	2.9
200.80864	0.5
201.01974	0.6
216.00626	3.2
228.00691	1.7
229.01422	0.8
242.99344	1.3
244.00157	2.6
249.42848	0.5
255.03030	0.7
255.06548	0.5
257.00760	0.7
270.98813	1.5
271.02408	1.6
271.99612	1.6
277.66504	0.5
282.98959	1.2
283.99454	0.9
298.98376	1.4
299.99124	100.0
300.99854	38.3
301.03015	0.9
302.00259	2.1
313.05823	0.9
373.07788	1.4
629.15039	58.0
629.24585	41.3
630.15344	8.2
630.24908	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	629.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75481	1.5
53.32988	1.4
56.30079	1.8
59.01387	7.5
61.98825	5.0
69.03474	2.6
69.05766	5.1
69.06187	9.9
71.01384	8.8
73.02959	3.5
79.01877	2.8
81.03487	2.1
83.01401	1.9
85.02963	3.6
85.06596	2.1
85.52794	1.5
89.02441	2.0
93.03471	2.4
95.01401	6.1
97.02962	4.3
97.46268	1.7
101.02442	7.1
107.01397	27.2
108.02220	1.5
109.02957	6.1
111.00879	2.7
113.02460	4.2
121.02972	4.8
123.00887	20.7
123.04510	2.7
123.37717	1.4
124.01659	24.2
125.02455	78.6
133.02957	4.0
135.04532	21.1
137.02438	10.0
137.51624	1.5
139.00383	7.0
139.04042	2.1
140.01152	5.8
149.02533	2.4
149.99608	35.3
151.00407	15.9
153.01927	2.4
153.05554	3.6
155.03477	2.5
161.02515	11.4
164.04825	3.5
166.06339	1.6
167.07188	8.5
168.00650	56.1
169.01445	53.5
179.03494	11.0
183.10269	3.2
194.99348	15.8
211.02480	4.3
214.16527	1.7
252.52782	1.6
255.06682	5.9
256.07343	3.9
271.04575	4.3
271.09769	7.3
281.06628	11.3
285.11227	1.9
299.05682	1.8
299.99097	5.5
300.06311	2.7
313.05768	12.9
315.08740	16.4
323.07608	2.5
331.06851	11.1
339.03525	4.6
345.22949	1.6
367.03140	1.6
372.11032	1.7
373.07889	1.7
375.27423	2.6
449.10843	5.9
459.13174	2.7
475.08688	15.8
477.13861	4.0
567.24323	2.1
629.15228	100.0
629.24506	66.7
629.39288	2.9
630.15540	13.2
630.24756	7.2
652.47980	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66663	2.0
59.01372	6.5
61.98832	12.2
69.14521	2.0
69.72671	4.8
69.73086	7.4
71.01379	3.8
74.34711	2.1
85.00584	2.6
85.29681	2.0
88.98818	3.6
93.03454	7.5
96.96024	5.1
109.02949	3.3
115.68626	2.0
116.92869	4.0
121.02979	2.8
123.00898	8.1
123.35521	2.2
125.02480	14.5
137.02469	11.2
139.00412	3.5
139.04054	3.4
141.09265	2.2
149.02486	8.8
150.03239	21.3
151.00363	6.4
151.04001	5.3
152.01164	2.2
153.01877	3.1
159.04576	4.0
159.71515	2.1
161.02493	3.4
164.04778	2.6
165.01941	2.5
165.05606	15.8
166.02719	12.3
167.03622	2.5
169.01381	12.3
170.38654	2.5
177.01949	5.5
177.05606	2.9
179.03522	2.6
180.04341	3.2
181.05060	18.1
191.03548	5.6
192.04295	3.6
195.06619	7.4
197.99425	2.2
203.03522	6.4
207.06680	4.3
209.08051	2.5
218.05873	8.6
233.08182	8.7
236.06819	5.0
242.99400	2.6
243.06685	3.5
251.09293	19.1
254.99515	2.9
257.00824	4.0
269.98053	35.8
270.98862	11.8
285.00439	15.3
297.97586	64.1
298.98212	18.9
299.99179	29.6
300.99936	10.7
312.99936	100.0
314.00662	40.1
315.01349	9.3
328.02292	39.2
329.03021	67.7
330.03510	4.0
373.12878	3.2
433.14984	8.3
485.12204	3.2
567.24219	3.0
581.21063	3.3
611.13965	32.8
629.13654	33.2
629.23199	14.8
630.15649	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	629.1725
Annotation	Leucodelphinidin 3-O-(beta-D-glucopyranosyl-(1->4)-alpha-L-rhamnopyranoside)
Peak:m/z	Relative Intensity
57.03441	2.7
59.01358	2.3
60.25124	0.7
65.03943	1.4
67.01911	0.9
69.69077	3.4
71.01379	1.2
72.01787	0.6
72.67188	0.7
81.03410	0.8
83.01408	4.1
83.05043	1.0
85.97592	0.7
87.00874	0.8
89.02444	1.7
93.03455	1.3
101.02451	1.2
107.05040	6.8
108.02186	2.4
109.02955	32.0
111.92474	0.8
121.02908	2.9
123.04522	1.5
124.01652	2.6
125.02454	28.9
126.02848	0.7
133.02946	2.9
136.01682	1.1
137.02458	43.4
138.02797	1.1
139.03992	0.9
146.56111	0.7
148.68190	0.8
149.02431	2.3
150.03209	2.5
151.04016	44.7
152.04311	1.5
161.02478	7.2
165.01913	1.0
167.03485	2.7
173.06041	2.1
175.04031	7.0
176.04169	0.9
177.01935	27.7
178.02287	2.0
179.03511	10.6
189.05582	3.0
189.55403	0.9
195.02980	0.9
201.05591	1.1
215.07159	1.3
217.05023	2.5
219.06569	1.6
243.06566	3.2
259.06125	19.7
269.04535	1.0
287.05618	36.1
288.06006	2.4
299.07687	0.8
329.08743	9.5
330.09290	0.8
341.08810	9.1
357.08206	2.8
393.91852	0.8
396.58310	0.8
423.13031	0.9
449.10886	2.1
467.11963	100.0
468.12381	8.6
585.13177	0.8
629.17188	25.6
630.17694	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	629.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42312	1.0
55.01899	1.3
59.01376	9.9
61.98831	4.6
63.97932	0.9
67.01886	1.3
69.01505	9.9
71.01382	12.9
72.99311	1.6
73.02938	2.0
79.01897	2.3
83.01411	1.7
85.02957	5.5
87.00861	2.0
89.02462	3.4
93.03455	1.7
95.01400	2.1
97.02973	1.6
97.75620	1.0
98.22641	2.0
99.00866	2.0
101.02451	7.1
107.01415	7.3
108.02194	2.6
109.02969	18.2
110.00114	1.9
111.00907	4.6
113.02452	4.0
116.92850	2.3
119.03494	1.2
120.99668	2.5
121.02951	5.8
122.03790	1.7
123.00901	20.5
123.04525	1.5
124.01662	5.0
125.02458	35.0
126.02791	1.1
127.00406	1.6
131.78654	0.9
133.02983	1.7
134.03726	8.1
135.04546	5.1
136.98874	1.9
137.02455	3.6
137.99629	1.4
139.00389	21.4
139.04016	1.8
140.01158	7.5
141.01965	1.5
145.02960	6.5
146.03716	1.2
147.04605	1.7
148.05374	1.6
149.06067	2.5
149.99582	2.1
151.00401	12.9
151.03944	2.0
152.01180	1.8
153.01936	21.3
153.23322	1.1
154.02739	9.6
155.03491	4.9
161.02464	1.6
161.04553	1.7
163.03960	1.7
166.02609	1.5
167.03510	1.7
167.07187	1.2
168.00687	6.6
168.04291	4.8
169.01430	40.0
169.05048	3.2
199.07599	1.4
205.05121	1.1
209.06096	2.8
213.05635	2.6
227.07159	1.9
237.05634	7.4
238.06325	4.2
239.07106	5.6
240.04221	2.7
241.05069	5.0
251.07069	1.9
254.05894	4.5
255.03947	1.9
255.06676	36.0
256.07352	14.4
257.07748	1.4
269.08109	1.8
270.08945	6.7
271.09778	14.7
272.09918	1.6
285.07510	2.1
287.19232	1.1
299.05582	2.0
299.99237	8.6
300.02383	1.7
300.06345	6.5
300.99973	2.9
301.03427	1.2
301.06995	1.2
312.99854	1.3
313.05768	2.7
314.07974	5.5
315.08774	27.9
316.09103	2.8
329.10464	1.5
357.09778	2.2
429.11383	1.2
443.13486	6.2
459.12936	9.6
461.13824	1.8
473.14764	2.9
567.24274	2.8
575.55945	1.3
629.16675	100.0
629.25635	35.1
630.17108	15.7
630.26056	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	629.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	9.1
61.98828	5.0
62.09630	1.2
71.01375	9.7
73.02946	2.3
83.01396	1.5
85.02954	4.7
88.89558	1.4
89.02453	3.3
93.03456	2.3
94.07121	1.2
95.01389	2.1
98.21803	2.3
101.02463	5.1
107.01404	5.6
107.65364	1.1
107.96460	1.1
108.02187	4.2
109.02950	16.3
111.00906	5.5
113.02447	3.4
116.92873	3.9
119.04985	1.3
120.99655	3.8
121.02985	4.6
123.00886	16.0
123.04510	2.0
124.01664	3.4
125.02463	33.4
133.03009	1.9
134.03772	8.9
135.04558	6.5
135.74127	1.2
136.98796	1.3
137.02431	4.0
137.99583	1.8
139.00383	17.2
140.01187	8.8
141.01973	1.9
145.02986	5.5
147.04482	1.9
148.05338	1.4
149.06091	2.0
149.99593	2.9
150.03235	2.8
151.00383	13.2
151.04031	1.8
152.01222	2.0
153.01950	21.7
154.02737	9.4
155.03487	3.3
161.02467	2.3
161.99623	1.4
165.01930	2.5
165.05569	2.6
166.02740	1.8
167.03537	3.6
168.00668	7.2
168.04306	2.7
169.01443	33.0
169.05052	3.0
175.04068	1.2
179.03418	1.5
181.05086	1.9
201.09660	1.4
209.06082	5.4
211.02405	1.6
213.05714	1.5
213.33252	1.2
225.05708	1.8
227.07217	1.6
237.05547	6.9
238.06261	3.5
239.03511	2.3
239.07184	3.6
240.04295	1.8
241.05040	3.6
253.05167	2.1
254.05850	3.8
255.06660	34.3
256.07367	17.8
259.06079	1.6
269.08215	2.4
270.08942	6.7
271.09784	14.1
285.07367	1.6
299.05576	2.5
299.99139	5.7
300.06372	7.2
300.99838	3.3
313.05643	2.0
314.07993	3.7
315.08771	32.0
316.09082	3.3
329.10339	2.7
357.09851	2.9
443.13278	6.8
459.12799	10.7
465.18228	1.7
473.14630	2.6
629.16846	100.0
629.25684	26.0
630.17426	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	629.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01184	0.3
59.01363	0.8
63.02393	0.7
65.00311	1.2
69.02352	2.6
71.01371	0.4
74.56058	0.3
83.01364	1.1
93.03443	0.4
102.69270	0.3
107.01401	2.9
108.02196	2.0
109.02986	1.8
116.92844	0.4
121.02943	1.1
123.04539	0.4
125.02431	0.7
127.75279	0.3
135.00888	1.0
135.04594	0.3
136.01149	0.3
137.02423	0.4
137.09724	0.4
138.72141	0.3
139.04057	0.3
148.01651	1.2
149.02426	0.5
150.99190	0.6
151.00378	9.5
152.01144	0.3
153.01929	0.3
155.10808	1.0
159.04430	0.4
163.00372	2.1
163.03990	0.4
164.01134	0.7
169.01456	0.8
171.04424	0.3
174.03180	0.3
175.04065	0.5
178.99884	4.3
181.05057	0.3
183.04514	0.6
184.67264	0.3
187.03918	0.7
188.04825	0.3
190.99808	0.4
195.57101	0.3
198.03195	0.5
199.03931	1.6
200.04448	0.3
201.01947	0.6
201.05507	0.3
201.11308	0.3
202.95830	0.3
203.03491	0.7
204.04219	0.3
209.11821	0.4
211.03958	0.8
215.03448	0.5
216.04300	0.8
226.02704	3.4
227.03516	3.5
229.01732	0.3
243.02982	15.4
244.03490	1.1
245.04453	0.6
254.02193	3.7
255.00189	0.4
255.02986	25.9
256.03320	1.6
271.02481	76.7
272.02975	5.9
273.03940	0.9
283.02505	0.8
299.01968	1.6
300.02756	100.0
301.03458	32.0
301.07196	0.3
302.03830	1.6
306.07706	0.7
343.04510	0.6
375.27594	1.7
445.07852	0.5
463.08832	12.0
464.09125	1.0
629.18713	66.3
630.18994	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	629.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45507	1.0
54.69539	1.1
59.01382	52.1
60.99315	12.3
61.98832	2.3
68.41002	1.0
70.06685	1.9
70.07019	1.5
71.01383	2.5
74.84129	0.9
74.99104	7.7
79.95746	1.4
83.20670	0.9
85.02946	1.2
88.04627	1.0
88.98816	60.0
95.01406	2.8
96.96020	28.3
101.02482	1.5
107.01373	3.1
108.02161	2.2
109.02973	1.9
113.02396	1.4
120.99640	3.7
121.02969	2.4
122.03745	1.4
123.00887	10.8
123.04526	6.1
125.02450	18.2
135.04572	1.6
136.99144	8.7
137.02400	1.9
139.00378	4.1
140.01178	2.5
142.02103	1.1
147.04530	2.8
150.03262	1.7
151.00374	8.6
151.04028	1.7
153.01962	18.4
164.04768	1.3
165.05557	4.5
166.06317	1.6
167.03479	2.4
168.00652	3.1
168.04298	16.4
169.01443	24.1
173.44928	1.2
179.03519	1.6
183.06656	15.1
193.08626	1.3
209.04391	1.1
241.07224	11.8
249.06290	1.1
289.07489	1.3
298.97968	1.0
300.02652	2.4
300.99936	1.1
313.05676	2.9
345.13354	1.9
427.60651	1.1
467.13199	1.3
539.21375	100.0
540.21588	13.2
585.16602	1.6
629.14783	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	629.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21867	0.6
57.03440	0.6
59.01377	4.2
61.98820	2.7
66.85276	0.4
71.01367	1.5
71.29655	0.7
73.02937	0.9
73.21294	0.4
74.36505	0.5
77.16209	0.5
81.03471	0.5
83.01402	2.7
93.03461	0.8
96.95436	0.8
96.96012	4.4
101.02445	1.1
102.30583	0.5
107.01412	0.8
107.05058	0.8
108.02161	0.7
109.02957	1.7
111.00909	0.8
113.02462	0.9
114.88858	0.6
118.45460	0.5
120.99673	0.7
121.02882	0.6
122.03755	0.7
123.00909	1.0
123.04537	0.7
124.01683	1.0
125.02477	3.2
131.05009	0.6
133.02994	0.7
135.04526	2.0
137.02432	1.6
137.09743	1.4
139.00388	0.5
139.04004	0.7
143.05095	0.7
147.04607	0.6
149.02420	1.6
150.03224	3.6
151.00388	1.2
153.01935	1.4
157.06555	1.1
159.04526	10.4
160.01700	0.6
161.02472	1.2
161.09735	1.0
162.03188	0.7
163.07680	2.1
165.01953	0.6
165.05600	4.0
167.03615	0.5
169.01469	2.6
172.01692	1.0
172.05249	0.6
173.06015	2.3
175.04050	0.6
175.07719	3.6
175.11250	0.5
177.01955	1.4
177.05643	0.7
179.10811	1.6
180.04173	0.5
181.05133	1.0
181.06612	1.2
181.08725	2.6
183.04477	1.2
185.06018	0.6
188.01112	0.7
191.03487	0.6
192.04282	1.5
195.06630	1.2
195.10228	0.9
197.06053	1.4
197.11769	2.2
199.07640	3.0
200.01152	1.7
200.04651	0.7
201.01941	0.6
201.03850	0.8
201.05602	11.7
203.03503	0.8
207.06567	0.9
207.36557	0.5
213.05620	0.5
215.07047	0.6
216.00679	1.6
223.06126	0.6
223.09732	3.0
225.05591	2.7
226.99962	0.7
228.00700	0.9
228.04153	0.7
229.01431	0.7
241.10898	2.3
243.06627	100.0
244.00162	1.8
244.06998	5.7
247.09793	0.8
251.09244	0.7
257.01050	0.6
265.10776	1.3
270.98819	0.8
271.99643	0.9
283.05814	0.6
283.11932	0.7
289.10989	0.6
298.98422	0.9
299.99127	63.7
300.99860	21.6
301.03241	1.2
302.00269	2.1
303.12070	0.6
307.11713	0.6
325.13101	1.4
385.15097	7.1
414.30792	0.5
432.14142	0.9
433.15109	1.4
567.24225	0.6
581.20563	0.9
629.14935	34.2
629.22968	16.3
630.14508	5.1
630.25189	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	629.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80793	1.1
59.01380	15.7
61.98826	1.1
69.28287	1.0
70.10133	1.5
71.01392	2.9
74.99102	2.2
80.59104	1.1
82.81531	1.0
88.98840	2.9
96.96021	2.0
109.02954	2.0
111.00894	2.1
113.02500	2.0
120.99689	2.3
121.02955	2.7
123.00908	1.4
125.02475	1.6
135.04510	11.6
136.99115	2.3
137.02460	8.3
149.02452	30.7
151.04054	2.2
152.04828	3.2
154.12364	1.1
164.04800	100.0
165.05133	3.8
169.01480	1.4
179.07147	90.8
180.07504	3.3
184.03754	2.5
212.06921	15.5
227.09254	36.8
228.09625	2.1
271.02466	1.6
299.01895	2.1
299.99225	1.3
300.02499	1.7
318.29108	1.3
327.03470	1.8
369.30832	1.2
407.17117	53.9
408.17398	5.2
468.72382	1.2
629.28741	1.4
650.55658	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26872	1.4
59.01377	15.9
64.31104	1.4
71.01384	4.1
74.99092	2.2
75.01673	1.4
87.00874	2.9
88.98783	4.4
96.96030	4.6
98.22554	2.8
101.02476	1.8
108.02114	2.0
109.02922	3.4
120.99646	4.1
121.02975	3.2
123.04532	1.4
125.02442	5.4
135.04529	15.9
136.99068	2.5
137.02463	9.8
139.03978	1.4
149.02440	28.4
150.03006	1.4
151.00415	2.2
151.04060	3.4
151.92477	1.6
152.01108	1.9
152.04799	3.8
153.01859	2.3
156.70871	1.6
161.02466	2.0
164.04796	97.3
165.05190	4.4
169.01424	3.6
170.96652	1.5
179.07141	100.0
180.07486	4.2
185.11830	1.9
197.04468	2.1
198.74161	1.6
203.74083	1.6
212.06857	16.3
227.09230	37.6
228.09576	1.8
229.05620	1.7
255.03026	2.5
271.02420	6.7
299.01889	2.1
300.02774	8.7
301.03342	2.5
314.04337	3.6
327.03506	2.7
327.89853	1.6
407.17130	52.0
408.17468	3.3
463.08755	2.2
474.17862	1.6
477.10681	3.6
629.10895	8.0
634.29736	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.245
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52929	0.6
59.01384	11.0
68.99829	0.6
69.00993	6.4
71.01382	2.5
73.02956	0.8
74.99107	1.4
78.97160	0.6
85.02983	1.5
87.00882	1.9
89.02439	1.1
99.16530	0.7
100.46929	0.7
101.02447	1.4
107.01403	3.1
109.02940	5.2
120.99657	7.3
123.00898	2.5
123.04541	4.5
124.01630	1.0
125.02463	18.2
136.99165	0.9
137.02458	37.5
138.03242	39.3
139.03566	0.9
149.06110	3.0
151.00371	3.2
151.04013	1.4
152.01266	1.0
152.04810	9.1
153.01974	1.5
153.05589	36.5
154.05927	1.5
165.01888	0.8
166.02750	1.1
167.03523	0.7
168.99989	1.4
169.01434	24.3
170.02118	2.5
178.99902	1.2
179.03537	3.7
180.04263	5.9
184.03770	5.1
195.05022	0.8
195.06566	3.5
197.04553	3.9
197.63855	0.7
198.05351	5.7
199.04311	1.1
200.50450	0.7
212.06908	22.4
213.07695	46.3
214.08012	2.0
219.18919	0.7
223.97150	0.7
243.03200	1.1
249.06113	1.1
255.03014	2.5
256.03439	0.6
269.04559	0.9
271.02460	10.1
271.43237	0.7
272.02969	1.6
285.04263	0.9
299.01981	3.7
300.02747	21.5
301.03317	5.2
313.05728	6.8
314.04242	3.4
315.05145	8.4
379.12668	1.0
407.17117	100.0
408.17477	9.7
463.08765	1.5
477.11108	3.7
629.11389	34.0
630.11963	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	629.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51104	0.4
54.58072	0.4
55.01875	0.6
57.03448	0.4
59.01384	4.7
63.20077	0.4
63.34734	0.4
64.54186	0.4
67.01904	1.0
68.99809	0.4
69.03448	0.7
69.20906	2.1
71.01385	5.1
72.99274	0.5
73.02946	1.1
76.35587	0.4
79.01894	1.2
83.01402	1.2
85.02960	2.4
87.00881	0.8
89.02434	1.1
95.01385	2.8
97.02962	1.3
99.00861	0.8
101.02472	3.1
107.01393	5.5
110.00089	0.5
111.00916	2.3
112.46450	0.4
113.02449	2.5
120.34277	0.4
123.00895	16.8
124.01665	1.3
125.02461	24.6
126.02786	0.7
127.00389	1.0
136.98807	1.1
137.02496	0.4
139.00392	6.1
140.01180	3.9
141.01944	1.9
151.00383	12.0
151.04076	0.6
153.01944	0.8
154.99867	0.4
161.04543	0.9
163.04039	0.6
164.04872	1.1
168.00658	3.8
169.01439	34.1
170.01759	0.8
170.65099	0.4
179.07127	0.6
209.04645	0.5
211.02495	5.5
253.03445	0.7
271.04593	8.8
313.05707	2.5
373.07779	6.4
374.08383	0.6
467.74188	0.4
482.98395	0.4
629.24506	100.0
630.24854	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	629.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.4
57.03463	0.4
57.79741	0.4
59.01390	2.7
61.98838	3.9
67.01879	1.1
71.01378	3.8
71.28877	0.4
72.99286	0.7
73.02937	1.2
79.01897	1.4
81.03452	0.5
82.71035	0.4
83.01389	1.2
84.74736	0.4
85.02958	2.1
87.00887	0.4
89.02431	1.2
93.03466	6.5
95.01389	2.4
96.96028	1.0
97.02929	0.8
101.02453	3.2
107.01387	5.0
108.02184	1.1
109.02935	1.2
111.00911	1.7
113.02450	1.6
116.92903	0.4
121.02982	0.7
122.04639	0.4
123.00895	15.3
123.04524	0.4
124.01694	0.7
125.02460	21.2
126.02788	0.8
127.00371	0.5
135.04533	0.8
136.98825	0.8
137.02455	15.0
139.00397	4.4
140.01170	2.8
141.01929	1.7
149.02501	0.8
150.03268	1.1
151.00386	10.8
151.03990	1.0
152.01125	1.9
153.01938	1.6
153.05675	0.4
160.01558	0.4
161.04572	0.7
163.04005	0.7
165.01964	0.9
165.05516	1.5
166.02692	0.8
167.03508	0.6
168.00642	3.2
169.01434	30.2
170.01801	0.7
175.03848	0.5
179.03528	0.6
181.05103	2.0
193.05142	0.5
195.06674	1.0
197.04539	0.6
203.03477	1.0
209.04564	0.4
211.02493	4.2
218.05763	0.7
233.08212	1.1
237.57761	0.4
240.12975	0.4
241.05057	0.4
243.06688	0.5
271.04630	6.7
297.06265	0.5
299.07843	0.9
299.99188	3.8
300.02429	0.8
300.99829	1.7
301.03177	0.6
301.06924	0.4
313.05759	2.7
357.09830	0.5
373.07822	5.0
373.12198	0.7
567.23883	0.5
581.20465	0.5
629.15747	5.4
629.24518	100.0
630.16150	0.6
630.24896	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	629.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
58.09893	0.9
59.01384	100.0
62.15152	0.8
69.15001	4.4
69.15421	2.5
87.00880	0.8
88.98787	1.2
89.01139	0.8
93.03484	1.6
93.11165	0.9
112.05945	0.7
120.99684	1.6
121.02961	2.5
122.03758	3.0
123.00964	1.2
125.02431	1.9
135.04495	0.9
149.02458	32.8
150.03247	32.1
151.03954	1.0
164.04796	11.7
165.05583	47.7
166.05965	1.5
169.01509	1.3
180.04245	2.5
181.05084	3.6
189.82265	0.8
192.48808	1.1
193.08707	1.6
195.06641	44.9
196.07259	4.3
197.08157	1.0
211.09732	4.5
211.98082	0.8
297.68222	1.0
344.12650	9.4
359.15030	74.4
360.15106	4.9
389.15936	2.4
399.43796	0.9
407.17136	46.7
408.17429	3.8
493.10754	0.9
629.08228	1.3
629.26324	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.7
58.52098	0.6
59.01386	2.6
61.98329	0.5
61.98845	4.8
65.82405	0.5
70.08846	1.8
70.97018	0.8
71.01370	1.8
73.02934	0.7
89.02455	1.2
95.01414	0.8
96.96029	0.9
101.02441	1.3
108.02180	1.6
109.02956	2.4
120.08132	0.6
121.02938	1.8
122.03692	0.7
123.00894	1.6
123.04528	5.4
125.02454	3.8
134.03754	1.8
135.04530	1.2
136.01700	0.7
137.02423	1.6
141.01868	0.9
145.02994	5.1
146.03700	1.5
149.06110	1.1
149.99496	0.7
151.04074	0.5
151.07664	1.1
152.01120	0.9
153.01889	0.8
159.04501	1.3
161.02461	0.7
161.95863	0.6
163.04007	0.8
164.04793	0.9
165.05531	0.7
167.03409	1.2
168.00687	0.8
169.01456	0.8
171.10245	1.4
177.05545	1.7
183.06734	0.6
183.10248	2.0
185.11935	0.6
191.03546	0.8
195.08101	0.6
197.06026	0.8
207.10181	0.6
211.07698	1.5
212.08458	4.7
221.11914	0.9
222.06850	1.3
223.07669	3.5
224.08330	0.6
225.05554	4.1
226.06152	0.7
226.72636	0.6
230.05858	0.5
238.06529	0.6
239.07167	6.4
240.07932	6.4
241.05086	1.2
250.06142	1.3
251.07115	8.4
252.07941	7.0
253.05148	3.6
253.08618	3.1
256.07321	1.3
266.05896	6.2
267.06638	22.1
268.07413	58.6
269.07813	3.4
270.05133	0.8
271.05954	1.7
271.09802	1.5
283.09775	36.5
284.10141	2.4
285.07678	1.4
286.08447	1.1
298.05099	0.7
299.05609	0.8
299.09140	0.7
300.05978	0.8
301.10840	100.0
302.11237	6.9
337.44171	0.6
345.57089	0.6
434.17334	0.8
445.15021	0.6
450.42459	0.5
463.16168	1.1
467.16980	0.6
553.24841	1.0
629.26404	7.8
629.36261	0.7
629.39532	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01097	1.2
59.01385	15.9
61.98826	1.5
69.03448	1.2
70.11731	3.4
71.01376	2.1
76.60970	0.9
85.03000	1.0
89.02460	1.8
94.06664	1.5
106.06657	1.1
108.02194	1.6
109.03000	1.0
110.06127	6.8
120.04523	1.4
120.08228	2.9
121.02972	1.1
121.05350	3.4
122.06138	28.6
123.04551	1.3
125.02420	1.1
130.06583	2.0
134.06129	8.0
135.04547	1.4
144.04578	2.5
151.07681	2.4
159.05667	1.2
160.04103	1.3
160.06451	9.6
161.04866	3.3
162.05566	1.9
163.03926	1.0
174.05623	9.3
191.03525	1.9
193.03833	1.5
198.12886	1.2
203.05963	2.6
203.11917	1.6
211.08755	1.3
213.08299	2.4
213.10349	42.2
214.10695	1.4
215.11932	1.9
223.08746	1.4
225.10399	4.2
226.11168	4.0
236.09631	1.2
237.10248	1.2
239.11899	19.4
240.12152	1.3
241.13477	22.3
242.13739	1.3
251.12007	4.6
277.09888	1.6
281.09314	2.8
283.10883	5.3
285.12460	100.0
286.12766	5.5
291.11478	2.8
293.12949	8.2
297.23618	1.0
299.09723	1.1
301.07611	0.9
301.11835	5.9
311.10541	2.6
313.12106	1.8
314.13263	1.3
315.08716	1.7
325.12335	1.4
327.10233	1.4
328.10889	3.4
328.14474	1.4
330.16177	2.3
340.10718	1.5
341.11591	2.0
342.12225	2.3
342.16144	1.4
343.13046	7.8
344.17896	2.8
345.18448	1.5
354.12305	1.9
354.16180	3.0
355.13312	1.9
356.13998	9.2
356.17743	1.3
368.17731	2.4
369.14435	2.7
370.15604	16.4
371.16330	4.9
372.17136	6.4
380.14053	1.2
382.11981	1.6
383.12372	1.4
384.13214	2.1
385.13928	1.6
397.14420	2.3
398.15131	13.9
399.15338	2.0
403.15479	6.7
412.16721	10.3
413.17468	8.0
414.18237	1.4
428.16327	2.0
445.16165	1.3
481.22479	1.3
485.25592	3.6
491.24704	1.5
493.22824	5.3
511.23511	14.5
512.23828	2.4
523.23895	5.0
529.24243	1.2
535.23523	27.0
536.23743	2.1
553.24591	61.5
554.25031	7.5
556.23285	3.5
561.21985	1.2
567.21912	2.2
579.22290	7.8
580.23022	1.3
597.23608	65.8
598.23846	11.7
611.25061	2.6
629.26276	24.4
629.36505	4.0
630.26721	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	629.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75315	0.3
59.01389	0.7
59.66127	0.3
61.98835	3.7
69.03459	0.7
78.95937	0.6
96.96960	0.7
97.06573	0.5
98.21828	0.8
99.92590	11.7
100.92676	0.6
100.93365	3.9
111.00898	0.4
113.02438	0.4
113.92640	0.4
115.92087	100.0
116.92094	4.0
116.92876	3.7
132.92336	1.0
137.02451	0.3
145.03003	0.6
157.01445	1.6
173.11778	0.3
187.09799	0.3
355.79599	0.6
529.35175	1.9
530.34869	0.5
531.36041	1.1
553.22339	0.5
569.25702	1.3
570.26752	0.4
629.27753	44.9
630.28131	9.5
643.25732	4.0
644.25848	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00639	5.2
53.23546	4.7
57.03455	5.9
59.01381	64.3
61.98834	16.4
68.97364	4.8
71.01392	9.6
71.29662	4.7
72.90799	4.5
73.02965	11.0
82.78369	5.0
93.93365	5.8
96.96027	16.9
100.06689	4.7
101.02441	5.8
106.43459	5.1
115.22268	4.5
123.00899	5.3
123.04542	7.5
125.02460	16.4
136.98666	6.4
137.02396	6.9
137.09714	7.9
139.11336	24.7
150.91679	5.9
153.01994	15.4
155.10785	13.3
169.01398	5.3
175.07774	4.6
179.03510	7.0
181.05035	17.0
181.12337	15.3
183.10298	35.7
183.15262	5.5
188.58206	4.7
192.79341	4.6
194.06012	5.8
196.07494	11.0
199.13509	7.0
211.09850	7.7
225.11371	19.6
243.12383	100.0
274.13721	5.9
285.13443	22.7
315.14410	9.1
345.15646	47.3
387.16125	7.5
405.17606	39.5
473.92447	5.3
549.24310	6.3
585.29150	5.8
629.19440	8.0
629.28314	74.8
630.18884	7.0
630.28723	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	629.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00639	5.2
53.23546	4.7
57.03455	5.9
59.01381	64.3
61.98834	16.4
68.97364	4.8
71.01392	9.6
71.29662	4.7
72.90799	4.5
73.02965	11.0
82.78369	5.0
93.93365	5.8
96.96027	16.9
100.06689	4.7
101.02441	5.8
106.43459	5.1
115.22268	4.5
123.00899	5.3
123.04542	7.5
125.02460	16.4
136.98666	6.4
137.02396	6.9
137.09714	7.9
139.11336	24.7
150.91679	5.9
153.01994	15.4
155.10785	13.3
169.01398	5.3
175.07774	4.6
179.03510	7.0
181.05035	17.0
181.12337	15.3
183.10298	35.7
183.15262	5.5
188.58206	4.7
192.79341	4.6
194.06012	5.8
196.07494	11.0
199.13509	7.0
211.09850	7.7
225.11371	19.6
243.12383	100.0
274.13721	5.9
285.13443	22.7
315.14410	9.1
345.15646	47.3
387.16125	7.5
405.17606	39.5
473.92447	5.3
549.24310	6.3
585.29150	5.8
629.19440	8.0
629.28314	74.8
630.18884	7.0
630.28723	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	629.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.2
60.02132	1.2
67.05528	1.5
68.99820	1.5
73.02918	1.4
83.05014	2.3
85.06599	2.1
87.04502	7.3
98.39267	1.2
100.10177	1.3
101.06075	1.6
107.05037	1.7
108.02228	1.9
109.02943	3.6
109.06585	4.3
111.04526	100.0
112.04851	2.0
113.09721	18.3
123.04541	2.2
123.08196	2.1
125.06133	2.3
127.84474	1.2
135.08173	1.8
137.02448	2.4
139.04018	1.7
140.04855	2.5
141.05574	2.0
151.07607	1.9
153.01820	1.5
153.05492	1.5
160.20990	1.2
165.05588	4.4
165.09190	2.7
166.02721	3.7
166.06367	2.0
166.35913	1.4
169.01166	1.3
169.05089	3.8
177.09213	2.6
179.03616	1.5
179.07147	9.8
179.10834	2.2
181.08719	80.8
182.09067	5.6
189.05705	1.3
193.08723	7.1
205.08736	1.9
207.06625	33.8
207.08502	2.6
208.07410	7.6
209.08168	5.1
221.08203	18.5
222.08804	2.8
223.06155	11.9
223.09698	4.6
224.09991	2.8
233.08203	3.3
233.11835	1.7
247.09875	1.5
261.11398	1.9
277.10925	8.0
285.77618	1.4
300.05420	1.4
301.17877	1.7
331.15375	1.6
377.19803	2.2
378.20197	3.2
379.20468	3.5
391.21716	1.4
392.21616	2.1
393.19153	82.5
394.19525	7.8
446.26398	2.3
447.23669	10.3
498.37158	1.4
535.96753	1.4
629.33667	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	629.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	3.7
67.05517	1.1
68.99800	2.6
69.03420	1.0
73.02932	2.0
83.05039	2.0
85.02979	1.5
85.06602	2.9
85.74964	0.8
87.04510	7.4
95.05028	2.3
97.02921	1.2
97.06629	1.4
101.06081	2.8
101.86201	0.9
107.05049	1.2
109.02962	4.4
109.06607	4.5
111.04527	93.7
111.92806	1.0
112.04831	2.1
112.65934	1.0
113.06132	1.3
113.09018	1.5
113.09738	14.8
121.06628	2.2
123.04533	4.0
123.08163	2.2
125.02507	1.2
125.06142	0.9
135.08154	1.4
137.02461	3.3
140.04802	3.2
141.05624	2.0
151.03941	1.5
151.07599	2.4
153.01912	2.4
153.05661	1.6
153.09215	1.2
154.02745	1.3
163.07788	1.1
165.05566	6.2
165.09248	1.3
166.02705	3.5
166.06331	1.6
169.05061	5.3
177.09280	2.0
179.03453	1.0
179.07156	10.7
179.10797	1.5
180.07745	1.0
181.08719	81.4
181.94508	0.9
182.09048	3.5
189.05580	1.1
191.10771	1.3
193.08722	7.5
195.06615	1.5
205.08696	1.2
207.06625	33.5
208.07396	12.5
209.08034	3.0
219.06732	1.2
221.08217	20.4
222.08913	2.9
223.06161	13.5
223.09749	2.7
223.54335	1.2
233.08264	2.1
233.11867	2.6
235.09821	1.6
239.12947	1.4
247.09775	3.2
247.13463	1.6
261.11298	3.2
263.12866	1.1
277.10822	11.6
278.11160	1.0
335.15002	3.3
340.75272	1.0
378.20193	2.2
379.20294	1.9
389.19711	1.0
391.21213	1.3
393.19177	100.0
394.19485	8.9
447.23819	19.1
448.24173	2.6
527.23761	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	3.8
59.50714	1.6
68.99818	3.2
71.01373	1.7
71.05015	1.4
74.54164	1.4
83.05055	2.2
85.02977	1.3
85.06588	4.6
87.04522	13.7
95.05048	3.2
97.06618	1.9
98.21820	3.4
101.06064	2.0
107.05012	1.6
109.02975	5.6
109.06609	5.3
111.04534	54.1
112.93850	1.6
113.06108	2.7
113.09740	16.0
123.04549	2.8
123.08177	2.8
125.02496	1.7
135.04503	1.3
135.08185	4.8
137.02458	3.5
141.05626	3.5
149.09767	1.7
150.57045	1.3
151.07690	1.8
153.01984	1.5
153.05620	2.2
165.05597	5.6
166.02734	2.8
166.06310	2.3
169.05081	18.5
177.05707	1.8
177.09183	1.8
179.07144	17.4
179.10751	2.9
181.08727	87.2
182.09091	3.0
191.10817	1.7
193.08646	6.7
195.06633	10.8
205.12466	1.5
207.06645	29.1
208.07399	10.2
209.08173	2.1
219.10246	2.2
221.08218	15.4
222.08641	1.8
223.06180	6.8
223.09758	4.5
233.08235	4.2
233.11830	3.7
239.12810	1.7
247.09807	2.5
247.13394	2.3
261.11261	3.3
277.10782	9.2
309.16867	2.2
335.18579	2.4
365.19687	2.4
393.19232	100.0
394.19586	7.9
447.23926	16.9
579.36340	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00602	1.3
52.68738	1.4
55.01861	2.3
55.47548	1.4
57.03433	5.2
59.01389	2.6
61.98835	3.0
68.99816	1.7
69.23303	4.0
69.23717	6.5
71.05019	1.7
73.02953	2.7
80.96516	2.6
83.05034	2.4
85.02950	4.0
85.06601	4.8
87.04517	11.0
87.26862	1.5
94.70333	1.5
95.05022	2.3
97.06590	4.8
101.06044	1.5
107.16462	1.6
109.06588	7.8
111.04529	40.9
111.08085	1.7
113.02519	2.0
113.06052	2.4
113.09709	8.1
116.92835	2.5
117.03506	1.5
123.04539	1.9
123.08166	6.3
125.02454	5.3
125.06081	3.6
125.09723	10.4
127.07658	1.8
135.04541	1.9
137.02432	2.6
139.04034	10.7
140.04286	1.5
141.05576	2.4
141.11041	1.4
145.02943	3.7
151.00334	1.8
151.07655	2.6
153.01913	2.4
153.05615	4.8
153.09244	2.0
154.02715	3.9
159.10272	3.3
161.02438	2.4
165.09229	3.5
166.02708	2.9
167.03568	2.3
169.05070	6.1
177.05554	5.2
177.09200	2.7
179.07150	2.9
181.08714	71.8
182.09044	4.1
183.06593	3.1
187.09793	2.4
191.10764	1.9
193.08643	2.5
195.06628	35.5
205.16060	1.7
207.06615	2.0
208.07378	4.5
209.08228	12.2
219.13863	2.0
221.08260	8.6
221.11699	1.8
223.06117	2.2
223.09734	6.0
225.07730	2.3
247.09720	2.0
258.30405	1.8
263.12823	2.9
265.14215	1.8
277.14423	3.3
281.13998	3.4
298.52396	1.6
305.09634	1.5
305.13971	5.8
313.23880	3.2
315.25360	4.5
323.14993	6.8
331.25037	9.9
347.18683	7.1
349.20306	2.0
355.78223	1.8
365.19684	100.0
366.20084	10.7
375.18143	2.4
391.17529	2.8
392.17822	4.9
393.19266	84.9
394.19821	7.8
415.52158	1.9
447.23965	12.9
555.28387	4.8
601.34283	2.1
629.33307	38.4
629.46710	15.6
630.33594	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	629.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04906	0.5
55.12646	0.5
55.42943	0.5
57.03452	4.4
61.43300	0.5
65.40603	0.5
69.03458	0.7
69.23748	4.0
71.01409	0.5
81.03440	0.9
83.05046	4.2
83.11268	0.5
87.04514	1.0
95.05039	1.3
96.68770	0.6
97.06593	10.4
99.08164	2.1
109.06595	1.5
111.04540	5.4
111.08171	15.3
112.04803	0.5
123.08167	4.2
125.09733	53.7
126.10043	1.6
127.07629	2.4
127.11302	1.2
129.09219	1.1
137.09767	0.9
141.09251	0.7
143.10765	1.5
145.08728	7.7
157.12419	0.7
159.10283	3.2
169.05051	1.5
169.08757	1.9
173.08206	6.9
177.05580	0.7
181.08762	4.3
187.09772	25.2
188.10046	0.8
195.06636	7.4
225.07582	0.9
244.69609	0.5
265.40573	0.5
277.14389	0.7
295.22873	1.4
313.23865	10.2
314.24292	0.9
329.23297	0.9
331.24887	16.8
332.25308	1.2
365.19690	13.4
366.20093	1.3
389.67853	0.6
393.19254	6.0
394.19656	0.9
459.33356	1.8
471.34891	1.4
483.33154	2.5
501.34042	3.3
522.70026	0.6
611.41345	1.4
629.33850	6.7
629.42688	100.0
630.33783	1.3
630.43036	15.1
630.53705	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	5.8
61.98833	58.2
68.39337	2.8
71.01382	5.4
71.29729	5.0
83.01379	4.0
91.29197	2.7
96.96024	6.9
111.54263	2.7
123.00893	9.6
124.01678	3.0
125.02466	30.0
137.02477	5.3
139.00394	6.0
140.01158	5.3
150.03185	3.6
151.00360	7.9
151.03735	2.8
153.01953	4.1
165.01941	3.3
165.92955	2.7
167.03563	3.0
168.00641	11.3
169.01445	19.7
169.87384	2.7
177.02045	3.8
181.04947	4.7
185.06139	3.3
195.06555	3.8
196.27269	3.1
214.37050	3.2
243.06528	7.5
250.15309	3.2
259.06155	6.7
269.04510	13.7
287.05588	18.3
289.07028	3.6
297.06143	3.0
297.97473	3.5
300.99899	3.0
312.99774	6.2
314.00464	3.4
567.24481	100.0
568.24609	12.1
631.19391	5.4
647.57709	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	631.058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58385	1.3
59.01392	1.4
65.00314	2.1
71.01389	2.6
93.03439	1.7
95.01393	2.6
105.05753	1.3
107.01366	2.4
109.02980	3.3
111.00912	4.3
121.02960	2.2
123.00903	6.4
123.04527	2.4
125.02441	13.7
127.71899	1.5
129.03419	1.2
133.02940	2.2
137.02472	7.1
139.00381	9.5
140.01247	2.3
141.01988	1.7
145.02977	4.0
147.00900	1.5
147.04605	1.6
149.02478	2.7
151.00357	3.2
157.02919	1.5
159.04457	2.1
161.02446	4.8
163.00365	2.8
163.04013	4.5
164.96988	1.8
164.98242	8.7
165.01973	2.9
166.02609	2.5
166.99847	3.0
167.03542	1.7
168.00749	1.7
169.01480	6.1
173.02480	3.6
175.03909	1.6
177.01965	5.0
178.99832	1.9
180.04364	2.1
181.01453	5.0
181.04955	1.4
183.01196	2.6
185.02461	3.6
187.00449	1.7
187.04033	2.9
189.01950	4.1
191.03510	5.9
191.05234	1.5
195.06703	2.4
201.01932	4.1
203.03439	3.7
213.02005	5.0
214.99847	1.6
215.03470	3.9
216.00780	1.5
217.01427	5.1
221.00888	2.8
223.04094	2.3
226.99799	3.6
229.01393	9.5
231.03055	6.2
241.01736	1.5
242.99350	4.6
243.02960	2.5
245.00951	2.5
247.02449	2.7
254.99341	2.8
257.00922	6.5
258.01550	1.8
259.02487	5.5
261.00345	7.5
261.04105	1.6
270.98868	14.5
273.00479	3.5
274.01135	1.7
275.02023	4.5
279.02887	1.7
282.98859	2.6
283.99716	2.6
285.00455	19.7
289.07184	7.5
295.02582	3.4
298.98364	20.8
299.99066	10.2
300.99902	38.1
302.00302	1.6
303.01462	3.3
307.02478	3.2
310.98651	4.4
323.02039	4.8
325.03577	2.5
326.41763	1.6
335.01981	3.2
351.01492	9.3
379.01199	4.0
380.01608	2.0
381.02542	2.9
407.00409	8.3
408.01154	1.7
419.06046	1.5
423.05939	3.7
425.01727	5.3
432.98483	4.1
449.03644	3.2
450.99448	100.0
451.13565	2.8
451.99643	11.9
463.05115	3.4
571.03827	3.6
587.07184	2.0
613.04437	3.6
631.05762	67.0
631.14667	2.5
632.06073	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	631.0941
Annotation	Myricetin 3-(6''-galloylgalactoside)
Peak:m/z	Relative Intensity
51.68462	1.0
53.61282	0.8
59.01359	1.5
59.59850	0.9
59.92568	0.9
63.02407	1.0
65.00335	1.1
71.28999	0.9
88.98795	1.1
96.96030	1.1
106.36739	1.0
107.01420	3.4
109.02959	1.8
123.00905	2.7
123.04511	2.2
124.01677	3.1
125.02457	9.4
137.02449	4.5
139.00449	1.2
151.00362	10.2
161.02484	2.0
163.00386	1.8
164.01164	1.8
165.01965	2.1
167.03539	2.1
169.01434	10.1
175.04012	0.9
177.01990	1.5
178.99881	8.3
185.02545	1.7
189.01938	1.5
190.99850	1.2
191.03583	1.1
192.00620	1.2
195.06648	1.6
198.33244	1.1
199.04083	1.4
201.01871	1.3
203.03558	2.4
207.54437	1.0
214.02724	6.0
215.03278	1.0
217.01437	1.4
219.02954	1.0
225.07796	1.8
229.01535	2.4
229.04933	0.9
231.03027	1.7
232.03870	1.3
242.02095	5.4
243.02989	4.3
245.00908	1.0
247.02435	1.3
249.03949	1.3
257.01141	1.3
259.02481	5.0
270.01639	4.9
270.99115	4.0
271.02460	36.0
271.05331	2.1
272.02710	1.6
275.02023	3.1
285.00351	1.9
287.02005	20.4
288.02689	3.1
289.03625	0.9
289.07291	2.5
298.98456	2.8
299.02130	4.1
299.99097	2.7
300.99881	10.3
301.03137	1.6
316.02243	100.0
317.02893	21.0
335.62085	1.1
368.57571	1.0
417.04657	1.0
450.99518	7.0
479.08328	41.9
480.08850	3.6
613.04279	1.0
631.09467	76.5
632.09668	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	631.0944
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27814	1.0
59.01370	1.3
63.96214	1.2
65.00323	1.7
67.01891	1.0
71.01392	1.5
71.27785	1.4
71.28126	1.2
79.95731	4.4
81.52448	1.4
83.01411	1.6
95.01400	2.0
96.96033	1.2
107.01402	3.3
109.02959	2.6
110.00116	7.9
111.00900	4.2
113.02438	1.0
121.02959	1.9
123.00875	5.4
123.04515	1.5
125.02468	20.5
136.98819	3.1
137.02495	2.8
137.99582	3.8
139.00397	19.3
139.04048	3.2
149.02451	2.7
151.00381	3.6
151.04012	2.4
161.02486	1.4
163.04088	1.3
164.98315	1.6
165.01968	2.4
165.99086	13.5
166.99883	12.2
168.03207	1.1
169.01428	20.6
171.04642	1.5
175.04066	1.3
177.01968	3.1
178.99911	6.6
179.01273	1.3
187.04076	1.4
189.02115	1.4
190.02820	1.7
191.03589	1.7
193.01465	2.0
194.99342	4.2
198.00888	1.5
198.03203	1.5
199.04022	2.3
201.01991	2.7
203.03436	1.7
206.99353	1.2
215.03502	2.5
227.03473	4.5
229.01520	3.3
231.02960	4.1
237.98643	3.0
242.02264	2.7
243.02982	5.8
244.03719	2.1
245.04700	1.9
255.03107	2.8
259.02509	2.1
270.01697	5.9
270.99408	1.8
271.02457	28.0
272.03198	2.0
275.02103	4.0
284.00015	1.4
287.02032	25.2
287.05267	2.5
288.02594	3.4
289.07263	4.7
298.98444	4.1
299.01999	6.7
299.99185	2.9
300.02502	1.8
300.99915	17.9
301.03339	2.4
313.05820	2.7
316.02258	67.7
317.03000	30.4
317.06360	1.5
397.02335	5.3
450.99460	3.5
479.01529	2.3
479.08371	42.0
480.08899	2.5
592.61475	1.2
613.04419	2.3
631.09442	100.0
632.09705	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	631.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.9
59.01381	8.9
61.98818	2.7
69.03453	1.2
69.53881	3.1
71.01368	2.6
81.03450	1.1
83.01395	5.4
85.02921	0.9
87.00896	0.7
88.01476	0.6
89.02442	1.1
93.03464	1.8
95.01404	1.2
95.05017	1.6
96.96034	0.7
97.02972	4.8
98.21809	0.7
101.02425	0.8
108.02172	5.7
109.02966	20.2
113.02427	0.9
117.03425	0.8
121.02945	4.5
122.03758	3.1
123.00883	2.9
123.04539	16.6
124.01669	0.9
125.02433	7.7
133.02939	1.0
135.04509	2.5
137.02460	5.7
138.03300	0.6
139.04057	3.4
145.02997	1.6
146.03732	2.3
147.04565	1.0
148.01538	0.7
149.02435	5.4
149.06133	1.0
150.03244	1.2
151.04036	5.3
159.04529	2.7
160.05249	1.5
161.02483	3.3
161.06082	6.8
162.03265	1.4
162.06874	6.6
163.00381	0.6
163.04019	10.8
163.07611	4.1
164.01154	1.1
164.04819	0.6
165.01945	5.0
165.05618	3.5
169.01437	1.7
173.02278	0.7
173.06088	0.9
175.04030	5.4
175.07570	0.7
176.04793	0.7
177.05650	3.0
177.09195	2.9
179.03522	2.0
185.06140	1.3
186.06854	2.6
187.04027	4.3
187.07651	2.5
188.04784	5.5
189.05482	2.0
190.02809	0.8
194.43127	0.6
199.07747	0.9
201.05583	2.9
201.09232	2.5
202.02731	1.3
202.06424	1.4
203.03502	4.3
203.07137	8.0
204.04256	1.4
205.05074	12.7
211.03955	0.8
213.05513	0.8
217.05142	1.1
221.08101	1.2
227.07195	2.6
229.05072	1.8
230.05943	1.3
231.03020	1.8
240.07837	0.8
241.08728	1.9
243.06422	0.6
243.10234	1.3
245.08199	7.3
247.06079	4.0
271.05936	1.1
284.06805	0.9
287.09286	2.5
289.07199	36.3
290.07504	2.0
295.13330	0.6
299.09283	2.7
327.08777	8.8
341.10364	2.2
345.09689	1.2
349.10632	0.8
360.15271	1.0
361.15659	1.3
365.14203	1.1
407.14923	3.9
451.14005	100.0
452.14362	10.7
479.08813	1.4
479.15674	1.8
507.15646	1.0
601.15692	1.4
631.20453	9.7
632.20575	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07674	0.7
57.03423	0.7
59.01380	5.9
61.30814	0.6
61.98816	2.5
69.03452	0.9
69.27410	3.0
69.27818	1.5
71.01363	2.9
81.03449	1.8
83.01395	7.0
85.02937	1.4
88.21372	0.7
89.02456	2.3
93.03453	2.6
93.83207	0.6
95.01397	2.0
95.05034	2.9
96.96007	3.4
97.02960	5.5
98.22533	1.2
101.02435	1.8
108.02184	8.6
109.02956	22.5
110.03197	0.6
113.02449	0.8
119.05024	1.0
120.99672	0.9
121.02969	6.5
121.22475	0.7
122.03736	2.5
123.00893	2.3
123.04530	18.8
125.02435	9.2
133.02930	1.4
135.04520	3.4
137.02467	8.0
138.03271	0.8
139.04030	3.8
145.02931	2.0
146.03717	2.2
147.04533	1.5
148.01643	0.8
149.02458	6.0
149.06052	0.8
151.00455	0.8
151.03998	7.9
154.02730	0.8
154.55219	0.9
159.04584	3.7
160.05247	1.0
161.02480	4.7
161.06084	7.4
162.03210	2.6
162.06905	4.4
163.04021	11.7
163.07668	5.9
164.01189	1.8
165.01913	6.1
165.05542	2.9
167.03503	1.2
169.01369	1.2
172.05264	0.7
173.06107	1.5
174.03229	0.9
175.03992	6.3
175.07599	1.2
177.05629	3.9
177.09254	3.7
178.06363	0.7
179.03473	3.1
185.06073	2.4
186.06833	3.7
187.04008	4.8
187.07622	3.0
188.04773	5.8
189.05496	2.0
190.02739	0.8
199.07678	1.2
201.05573	2.1
201.09221	2.8
202.02686	2.5
202.06349	1.7
203.03497	6.0
203.07121	10.2
204.04233	1.6
204.07663	1.0
205.05064	14.4
205.06821	1.4
211.04260	1.4
212.04735	1.5
213.05502	1.3
217.05000	1.3
221.08144	1.3
225.05647	0.9
227.07118	2.9
228.04042	0.6
229.05032	3.3
230.05814	1.5
231.02905	1.8
241.08693	1.5
243.10249	1.3
245.08180	11.4
247.06146	4.4
254.17540	0.7
259.09647	0.8
271.06024	1.3
272.06943	0.8
287.09235	2.4
289.07175	45.9
290.07410	3.2
299.09222	2.9
300.99908	0.7
327.08731	10.9
329.10300	1.2
341.10364	2.9
345.09875	1.6
391.12247	0.9
407.14981	4.1
432.92160	0.6
451.13971	100.0
452.14279	11.7
479.15640	0.8
507.14774	1.2
569.18524	1.3
631.20294	14.4
632.20374	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.2
58.80591	0.6
59.01382	5.7
61.98821	2.9
63.32018	0.7
65.00284	0.6
69.03454	0.8
69.10631	5.2
69.11033	1.4
71.01372	3.5
72.99330	0.8
80.93613	0.6
81.03455	1.3
83.01389	5.5
85.02952	1.3
87.00895	0.6
88.98803	1.0
89.02446	1.8
93.03448	2.0
95.01396	1.2
95.05033	2.9
96.96013	4.1
97.02953	4.5
97.07526	0.7
101.02457	1.0
104.42622	0.7
107.05007	0.9
108.02180	7.6
109.02959	21.9
110.03268	1.1
111.85974	0.7
113.02419	0.7
117.03425	1.0
120.99618	0.6
121.02972	4.3
121.06637	0.8
122.03743	2.9
123.00845	1.1
123.04530	18.7
124.01669	0.8
125.02439	7.6
133.02972	1.2
133.13164	0.8
135.04510	3.3
137.02457	8.0
137.03426	1.0
138.60820	0.9
139.04016	3.1
145.02956	1.9
146.03723	2.3
146.52237	0.7
147.04474	1.1
149.02426	5.7
150.03282	1.3
151.04007	5.4
152.01137	0.9
153.01920	1.0
154.02756	0.8
159.04520	2.8
160.05313	1.2
161.02432	3.3
161.06073	6.6
162.03230	3.0
162.06883	5.9
163.00343	1.2
163.04016	11.1
163.05276	1.2
163.07637	5.0
164.01160	1.6
165.01965	5.3
165.05624	3.4
167.03505	1.0
173.06059	1.3
174.03261	1.2
175.04066	4.3
175.05276	0.8
175.07747	0.8
177.05586	2.5
177.09218	3.5
179.03484	3.1
185.06093	2.5
185.60881	0.6
186.06842	3.1
187.04076	4.5
187.07646	2.2
188.04800	4.3
189.05602	0.9
190.02739	0.9
199.07578	1.1
201.05591	2.6
201.09213	2.5
202.02690	2.5
202.06326	1.5
203.03540	6.2
203.07137	9.4
204.04225	1.6
205.05074	14.1
206.05371	0.9
211.04314	2.3
217.05063	0.8
217.08821	0.7
221.08197	0.8
226.06413	0.7
227.07262	2.9
229.05064	2.0
230.05779	1.2
231.02992	1.2
231.06859	0.7
241.05095	0.9
241.08736	0.8
242.09258	0.8
243.10211	1.0
245.08234	10.3
247.06248	4.4
269.08203	0.8
271.06113	1.3
272.06998	0.9
287.09253	2.8
289.07202	46.5
290.07489	2.8
298.98569	0.8
299.09244	2.4
300.06793	1.5
300.99966	1.4
301.10785	0.9
316.02008	0.8
327.08710	9.1
329.10196	0.9
341.10211	2.4
345.10004	1.5
383.15207	1.1
407.14996	3.9
451.13995	100.0
452.14359	9.8
479.14972	1.5
507.15271	1.1
631.09888	0.9
631.20313	15.5
632.20782	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	631.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	1.3
67.29822	0.3
68.99551	0.4
69.80174	1.2
79.98463	0.4
94.07395	0.4
95.01456	0.4
96.96022	0.7
97.02959	0.4
115.26017	0.4
116.92873	2.2
123.04544	0.4
125.02425	0.8
125.71359	0.4
127.59965	0.4
137.02405	1.2
139.03934	0.4
145.42168	0.4
151.04037	2.9
153.05588	2.3
179.03535	0.8
181.05078	66.4
182.05659	4.0
194.05830	1.0
196.07419	60.8
197.08127	7.2
209.08232	4.1
211.09769	100.0
212.10127	4.6
300.99826	1.0
309.52161	0.5
414.58777	0.4
421.18719	9.7
476.18558	0.5
614.91956	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82000	2.4
55.06066	2.7
57.66018	2.3
59.01390	13.0
61.98837	18.3
70.32112	8.2
71.01374	6.5
72.99304	3.1
73.02945	3.2
78.82213	2.1
79.02414	2.2
81.20341	2.6
83.01376	3.1
85.02931	4.7
88.44366	3.0
89.02454	3.2
95.05034	2.5
96.02963	2.3
96.95999	5.4
101.02463	7.9
108.02191	4.2
109.02955	8.2
110.06123	9.3
113.02493	3.8
119.21655	2.1
120.07412	4.7
120.08205	52.0
120.98473	2.5
121.02962	2.8
122.06133	67.0
123.04532	8.9
124.07690	3.7
125.02485	13.2
134.06129	2.4
135.04556	3.7
137.02455	10.5
139.03972	3.6
143.48743	2.3
149.02422	4.1
149.06047	2.8
151.00356	3.8
151.04021	7.6
151.07709	6.7
161.02461	4.0
161.04575	2.2
162.52348	2.9
164.07137	3.1
165.01923	5.5
169.01437	2.8
174.05701	2.9
185.11823	20.1
191.03651	2.6
194.12531	2.5
196.18900	2.6
201.11362	5.9
203.05795	6.0
209.11798	20.5
211.13371	5.9
222.08025	3.1
223.08795	5.9
226.54196	2.7
236.09399	3.5
237.10387	4.5
245.08206	2.8
250.10898	3.4
251.11919	17.0
253.09558	3.6
263.08286	3.2
263.11954	3.3
264.08990	3.8
265.09760	3.0
265.13583	4.8
267.11221	2.5
268.07678	3.6
277.09851	15.2
278.10666	4.7
279.11374	6.2
282.10147	4.5
285.12433	4.5
289.07260	11.6
291.11346	11.1
292.12170	18.8
293.12909	18.0
300.99973	2.6
301.03714	4.0
301.10709	2.6
319.10971	2.6
324.11005	7.1
335.10468	2.6
336.11234	5.7
337.11880	5.8
343.12839	8.5
344.13861	5.8
358.15622	3.6
372.13254	4.4
372.17444	6.2
374.18799	5.5
386.14874	3.8
388.16153	3.3
390.18280	8.9
391.18854	9.0
400.16718	3.9
404.16266	4.5
410.76666	2.9
414.18204	10.4
415.18744	4.9
418.17749	10.8
432.19382	34.7
433.19745	6.5
436.18857	18.8
459.17905	3.2
476.18298	41.2
477.18860	22.4
478.19305	4.0
508.20883	84.4
509.21274	11.2
513.24567	4.7
537.24725	4.8
555.26129	54.3
556.26416	9.6
581.23755	4.0
584.65106	2.6
599.25110	100.0
600.25342	17.6
613.39587	5.0
631.27686	81.8
632.28339	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	631.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	1.8
61.98812	8.4
68.26652	1.4
69.17738	2.8
69.18137	7.4
78.56001	1.6
81.03506	1.8
94.06586	1.7
95.05063	1.9
95.91216	1.3
96.96027	2.6
98.21756	2.3
105.05860	2.0
107.03792	4.9
109.02982	2.1
110.06097	8.1
120.08201	47.9
120.88398	1.5
121.05365	4.1
122.06129	83.9
123.06454	3.0
125.02460	5.9
134.06137	2.9
136.07715	2.6
137.02463	3.0
144.04556	6.9
149.02412	1.7
150.03239	1.7
151.00357	3.0
151.04001	2.2
160.04094	2.5
162.05577	2.9
164.07135	4.0
169.01385	2.8
174.05533	7.4
188.03593	3.3
203.05865	8.6
204.06686	1.8
223.08807	2.3
225.14018	2.2
225.72865	1.9
236.09549	6.5
237.10324	9.4
238.11043	2.0
239.08237	1.8
241.13457	3.0
249.10298	4.2
249.14041	3.8
250.11104	3.8
251.11896	35.9
252.09399	1.6
252.12442	4.9
253.09808	3.1
253.13490	2.1
262.07574	1.9
263.08282	7.7
263.11923	6.8
264.09039	7.2
264.12503	1.8
265.09793	2.5
265.13504	11.2
266.10590	2.5
275.08051	2.8
276.09073	6.2
277.09784	31.6
278.10559	14.5
279.11267	7.7
280.12277	2.1
281.09464	2.4
283.10876	3.5
287.13974	3.7
291.11429	37.5
292.12173	45.7
293.09564	2.3
293.12930	42.2
294.13553	6.0
295.10730	3.7
296.08185	2.1
296.11755	2.0
309.08621	2.0
310.09778	2.3
311.10291	2.9
313.11868	2.8
319.11050	2.8
324.11084	7.1
324.14575	2.2
325.11826	4.0
335.10269	12.1
336.11169	15.6
337.12003	9.2
343.13159	4.3
346.15601	1.8
360.17078	4.8
370.19211	1.8
372.17142	13.5
373.18030	3.2
374.18799	6.2
386.14685	2.3
390.18228	5.5
400.16791	3.9
402.18289	6.0
406.17673	1.8
414.18362	15.2
415.19095	3.5
418.17929	9.7
432.19388	15.4
433.19919	2.6
436.18777	4.8
441.16931	1.9
447.17792	3.2
458.17157	10.4
459.18005	6.9
476.18286	36.4
477.19022	19.1
478.19864	6.7
490.19742	14.0
491.19952	2.3
495.23743	2.3
508.20917	89.9
509.21658	11.9
513.25049	2.9
525.24969	5.8
537.25232	19.0
555.26337	20.8
556.26343	3.7
569.25452	12.8
581.24103	21.7
582.24310	2.9
599.25146	100.0
600.25342	15.5
601.26605	3.9
613.26837	13.9
614.26935	3.0
626.19678	2.1
631.27972	47.6
632.27936	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	631.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67127	1.8
57.03416	1.7
59.01379	6.7
61.98834	14.0
63.78505	1.8
69.13432	17.6
71.01394	4.9
71.67046	2.4
71.79935	1.9
75.30444	2.0
76.33566	2.1
91.45731	2.1
96.96049	3.8
101.02460	2.1
105.05899	2.1
107.03811	5.8
108.02204	2.9
108.53685	2.0
109.02958	2.7
110.06116	11.1
110.96615	1.7
120.08199	27.0
121.05389	2.9
122.06137	100.0
123.04574	4.2
123.06492	4.0
125.02464	12.2
126.07175	1.9
134.06183	3.1
137.02527	6.7
144.04594	4.8
151.00435	4.1
151.04002	4.5
153.01993	2.6
160.04094	4.1
165.01981	3.3
169.01506	3.4
174.05641	8.6
179.03552	4.9
181.05203	2.2
187.04236	2.0
200.07220	2.6
223.08859	5.9
225.14175	2.6
236.09683	7.5
237.10381	9.9
238.11086	4.4
239.12022	2.7
241.13664	5.1
243.03096	3.5
249.10291	3.8
249.13971	3.7
250.07460	2.6
250.11238	5.7
251.11909	63.1
252.12498	7.3
255.03140	6.0
263.08447	5.7
263.11948	5.1
264.09149	6.9
265.09729	2.4
265.13586	8.6
266.10648	4.6
268.08716	8.8
271.02441	18.6
276.09177	3.4
277.09845	28.5
278.10663	15.0
279.11481	6.9
281.09464	3.0
282.10168	6.7
283.10947	5.0
284.11804	2.6
285.04248	2.6
289.07294	5.7
291.11417	29.1
291.13885	2.1
292.12143	35.8
292.15076	3.2
293.12915	30.8
294.13522	2.9
295.10855	4.1
296.11734	2.2
300.02762	21.3
301.03503	8.8
302.03830	2.2
303.08859	4.1
309.12680	2.5
313.12033	2.4
319.11179	4.5
324.11237	12.0
324.14844	2.3
325.11923	2.3
335.10507	7.2
336.11209	9.0
337.12094	6.2
343.13242	4.2
358.15652	5.0
359.16360	2.5
360.17239	13.3
370.19360	4.5
372.17166	22.5
373.18051	4.3
374.18906	11.5
390.18143	18.0
391.19006	3.6
392.20099	3.8
400.16812	4.2
402.18597	7.3
406.17938	6.7
414.18250	20.1
415.18802	5.5
418.17737	25.0
419.17960	2.4
432.19284	19.9
433.20090	2.7
436.18924	18.5
458.17395	4.6
459.18088	6.2
476.18323	26.3
477.18973	13.0
478.19934	8.4
490.20178	8.3
493.26303	4.9
495.24298	6.7
508.20935	53.3
508.28354	3.4
509.21472	12.6
513.24866	12.5
525.24957	2.8
537.25470	10.5
555.25995	16.0
556.26721	5.1
558.25128	6.5
581.24292	14.3
599.25104	57.2
599.34332	3.3
600.25659	7.5
601.26581	2.7
613.26776	14.0
631.20520	8.3
631.28149	86.7
632.28186	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	631.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64274	2.9
58.80550	2.6
69.04130	6.1
69.04533	17.1
78.69608	2.9
107.03786	5.2
110.06126	11.2
120.08201	42.5
122.06130	89.4
130.38618	3.2
134.06160	3.9
144.04552	7.3
159.04677	2.7
174.05634	6.4
203.05830	7.2
236.09557	4.3
237.10312	9.2
249.10298	4.4
249.14047	3.9
251.11909	40.3
252.12234	4.4
263.08368	6.7
263.11774	11.6
264.09161	6.6
265.13446	8.4
266.10443	2.7
276.09201	7.0
276.62399	3.4
277.09814	38.1
278.10486	12.0
279.11310	4.8
283.10690	5.9
289.07062	10.2
291.11404	37.4
292.12192	53.7
293.12997	33.0
294.13684	5.7
295.11063	2.8
324.11057	4.4
325.11850	6.8
335.10251	14.1
336.11215	15.6
337.11874	9.1
343.13113	5.0
344.14050	3.6
352.23364	3.4
360.17224	4.6
371.16446	3.5
372.17136	8.9
373.17899	4.2
373.35959	2.7
374.18668	6.1
390.18274	8.3
402.17822	4.5
414.18317	18.5
415.19086	5.6
418.17828	9.3
432.19431	19.3
436.18860	6.6
458.17407	4.5
459.17953	4.7
476.18399	38.7
477.18774	20.1
490.19980	8.8
508.20911	98.5
509.21555	15.4
537.24951	18.0
538.25226	3.9
555.26300	26.0
556.26172	3.5
569.23779	4.5
581.24225	12.9
599.25171	100.0
600.25378	18.8
613.26483	8.1
631.17657	5.4
631.27728	71.3
632.28113	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	631.349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.9
61.80116	0.4
69.08160	1.2
69.08579	2.1
85.06636	0.4
86.73791	0.4
87.04517	2.3
98.22586	0.6
109.06595	2.0
111.04515	3.3
113.09745	5.3
123.08139	1.3
125.09704	0.4
137.02461	0.5
138.03239	1.3
139.04008	0.6
150.06845	0.6
153.05580	0.5
163.11296	0.5
165.01898	2.3
165.09210	2.6
166.02724	9.0
166.06398	0.5
177.09323	0.4
181.08723	24.4
182.09006	1.4
191.07240	0.5
193.05022	0.8
195.06474	0.5
207.06635	3.4
208.07431	27.4
209.07990	1.6
219.06583	2.2
240.06349	0.6
247.07333	0.7
247.09758	9.8
248.10103	0.8
262.12115	1.1
285.99014	0.4
325.16568	2.3
377.19672	1.6
394.19077	0.4
395.20752	100.0
396.21152	9.4
449.25491	19.1
449.31796	0.6
450.25891	1.9
631.34729	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02042	0.7
57.03457	0.6
87.04509	1.8
94.91605	0.5
107.81742	0.5
109.06590	1.1
111.04530	2.6
113.09729	4.0
116.84301	0.6
123.08180	1.4
126.79135	0.7
138.03267	1.2
155.00940	0.5
165.01967	2.7
165.09221	1.7
166.02725	7.0
181.08717	21.9
182.09029	0.8
193.05093	0.6
207.06607	3.7
208.07417	22.8
209.08014	1.2
219.06760	2.7
230.33922	0.7
247.09781	10.8
262.12170	1.8
325.16687	2.0
377.19855	1.3
395.20752	100.0
396.21085	8.9
405.81458	0.6
449.25473	31.7
450.25809	3.9
527.13251	0.7
631.35815	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3639
Annotation	Myriceric acid A
Peak:m/z	Relative Intensity
57.03410	0.6
61.98807	1.5
71.28381	0.9
83.05029	0.5
83.72943	0.5
85.58719	0.5
87.04514	0.5
94.81007	0.5
105.25212	0.5
106.48656	0.5
111.04531	0.7
117.03474	32.4
118.03764	1.0
119.05038	16.4
121.02966	2.1
123.04522	0.9
133.02982	0.7
145.02963	100.0
146.03314	3.9
159.19597	0.5
160.84328	0.7
161.02438	0.9
162.03265	0.5
162.83965	1.3
163.04027	14.1
164.04384	0.8
181.08662	0.5
184.81804	0.5
195.06635	1.3
207.06859	0.6
209.08130	1.1
229.28958	0.5
395.20740	0.6
421.31287	5.7
422.31580	0.8
423.32870	1.4
449.92599	0.5
467.31601	0.6
469.33249	1.4
585.35907	5.3
586.36115	0.8
587.37415	10.2
588.37549	1.1
603.02039	0.6
613.35553	1.3
631.36420	93.1
632.36768	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
67.62147	0.2
71.09209	0.3
71.28231	0.2
74.91129	0.2
96.75739	0.2
105.03450	0.4
116.79160	0.2
117.03468	1.0
121.02982	0.3
132.02182	1.7
133.02968	26.4
134.03818	2.2
135.04541	7.5
137.02455	2.1
139.03996	0.8
139.62511	0.2
161.02452	74.5
162.02789	2.8
178.02774	1.1
179.03497	2.2
211.93933	0.2
243.48154	0.2
248.89551	0.2
251.86270	0.2
303.33636	0.2
407.18341	0.3
451.32037	0.3
495.31116	0.5
577.65363	0.2
587.37677	0.4
631.36383	100.0
632.36737	19.4
657.11798	0.2
657.23151	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77980	0.2
51.66945	0.2
54.61842	0.2
71.09209	0.4
79.63712	0.2
83.02511	0.2
91.42529	0.2
98.21799	0.6
105.03439	0.3
117.03465	0.8
121.02914	0.2
132.02206	1.7
133.02968	29.3
134.03838	1.2
135.04535	7.5
137.02454	1.2
137.04967	0.2
139.04039	0.5
145.02992	0.7
148.05307	0.7
161.02458	100.0
162.02806	3.7
163.04022	0.6
178.02625	0.4
179.03506	3.0
225.53426	0.3
359.28989	0.3
393.31842	1.3
395.33032	2.2
396.33380	0.4
427.32327	0.3
587.37445	32.1
588.37787	5.6
631.36401	78.4
632.36749	12.8
632.52429	0.3
636.51013	0.3
657.24182	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
62.72007	0.4
70.63737	0.9
71.09179	0.7
88.68690	0.5
117.43798	0.4
117.84337	0.5
132.02171	1.3
133.02969	26.8
134.03687	1.4
135.04538	5.5
137.02495	0.6
148.05312	0.8
161.02466	82.8
162.02846	2.7
179.03490	1.8
243.81822	0.5
307.04468	0.6
379.32086	0.5
418.08008	0.6
437.30939	0.6
439.32312	1.5
551.85016	0.6
587.37451	1.4
631.36407	100.0
632.36804	18.8
657.23438	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3642
Annotation	Myriceric acid A
Peak:m/z	Relative Intensity
50.07579	0.4
50.20926	0.4
52.23610	0.4
60.07027	0.5
60.58884	0.4
70.92028	0.5
70.92376	0.7
71.24907	0.4
73.10113	0.4
80.56873	0.4
102.85863	0.4
118.15921	0.4
132.02171	0.8
133.02969	15.4
134.03784	2.9
135.04570	3.1
136.20612	0.4
137.02432	1.6
161.02464	35.2
162.02856	0.9
164.06303	0.5
177.93056	0.4
179.03523	1.3
220.07175	0.4
355.46500	0.5
587.36389	0.6
631.36420	100.0
632.36780	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	631.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16008	0.4
77.35770	0.5
117.65540	0.5
133.02968	14.7
134.03790	3.1
135.04546	7.7
137.02408	2.6
139.03909	1.2
140.96233	0.4
152.19447	0.7
161.02458	42.0
162.02745	1.4
178.02640	0.7
179.03485	3.3
251.41248	0.4
328.52502	0.5
555.32306	0.7
571.34552	1.2
585.35815	10.9
586.36334	2.1
587.37451	87.4
588.37817	14.8
588.53021	0.5
631.36426	100.0
632.36798	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	631.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19111	0.2
55.38524	0.2
58.36015	0.2
61.80589	0.2
61.98828	0.3
66.27786	0.2
69.09279	1.3
87.04556	0.3
95.05046	0.2
111.04534	0.2
115.92236	0.2
117.03474	26.3
118.03833	1.0
119.05033	3.9
121.02962	0.7
125.06132	0.2
133.02954	0.2
145.02963	100.0
146.03310	3.3
161.02472	0.2
163.04051	3.2
173.11913	0.2
181.08687	0.6
195.06628	0.3
209.08208	0.3
221.08304	0.2
223.09732	0.2
226.08199	0.2
259.15067	0.2
261.19302	0.2
357.66061	0.2
407.25742	0.2
423.29214	0.4
435.28992	0.3
439.49527	0.2
453.29965	0.9
465.30179	0.3
467.31686	0.6
485.32623	0.2
511.30502	0.2
571.29614	0.3
587.37219	0.5
631.36395	68.1
632.36780	11.4
632.44775	0.3
650.95337	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33904	0.4
56.13483	0.4
59.41095	0.4
61.98805	1.3
64.72643	0.5
67.25931	0.4
71.13581	0.4
73.02966	0.6
75.73645	0.4
78.21841	0.4
98.21731	1.0
102.73708	0.4
103.51455	0.4
115.92079	0.6
117.03477	24.3
118.03810	0.9
119.05028	7.8
121.02943	0.6
133.02975	1.6
135.04538	0.5
145.02963	100.0
145.44495	0.4
146.03293	3.2
160.84155	1.0
161.02481	2.4
163.04018	9.5
173.69516	0.4
181.67818	0.4
237.43074	0.5
283.80634	0.5
319.64618	0.4
408.29657	0.4
485.32742	0.7
587.37445	55.7
588.37732	7.3
631.36481	29.1
632.37366	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	631.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
63.06177	0.3
65.68946	0.3
67.44139	0.3
69.19183	1.4
69.19591	1.0
75.01212	0.3
98.21739	0.8
132.02211	0.4
133.02971	12.5
134.03807	3.1
135.04532	3.0
137.02481	1.9
138.57594	0.3
139.04036	0.7
161.02458	37.5
162.02776	1.5
166.42351	0.4
178.02658	0.7
179.03522	1.7
188.03514	0.3
532.99048	0.4
575.60529	0.4
587.37500	1.2
631.36420	100.0
632.36725	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90480	0.4
60.63269	0.3
61.98820	1.1
63.86972	0.3
66.27786	0.8
69.10667	3.0
78.27364	0.4
91.28392	0.3
97.47535	0.4
98.22522	0.9
106.63564	0.4
117.03474	28.1
118.03803	0.7
119.05054	4.3
121.02956	1.0
133.02971	1.7
134.03661	0.5
135.04526	1.1
145.02962	100.0
146.03297	3.8
151.72060	0.4
160.84196	0.8
161.02493	2.8
163.04028	3.8
164.75414	0.4
211.75787	0.5
282.15897	0.4
467.31812	0.9
485.32983	0.5
587.37555	0.9
631.36426	80.0
632.36774	13.9
653.05298	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.4004
Annotation	Scaphopetalumate
Peak:m/z	Relative Intensity
56.83260	1.0
58.40525	1.3
71.19733	1.4
74.53806	1.2
93.03478	1.4
95.05061	3.1
105.03471	10.9
105.04002	1.1
115.02695	1.0
119.01411	1.3
119.05083	1.3
121.02982	7.8
123.04579	1.3
132.02205	3.1
133.02968	79.1
134.03812	2.0
137.02498	1.3
139.04095	1.8
147.00978	2.2
147.04582	1.8
148.01782	1.5
149.02454	6.1
153.05592	1.5
160.01674	15.3
161.02467	13.4
175.04012	15.7
175.05295	1.3
177.01932	14.4
193.05161	2.3
194.93945	1.2
207.81470	1.1
557.36835	4.5
572.38702	30.0
573.39606	4.4
587.41168	64.5
588.41632	8.5
616.38086	2.4
620.37524	1.6
631.40173	100.0
632.39636	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	632.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	0.9
59.01394	1.4
61.98840	11.1
67.01859	1.0
71.01366	2.5
72.51773	0.9
72.99316	0.8
77.11350	0.7
79.01881	1.3
83.01412	1.2
85.02968	1.0
95.01398	2.3
97.02955	0.9
101.02467	1.0
102.43845	0.7
107.01418	4.3
109.02966	0.9
110.14462	0.7
111.00920	1.8
115.70537	0.7
121.02969	2.4
123.00895	14.0
123.04538	1.8
124.01659	2.1
125.02457	23.7
127.00368	1.1
135.04532	1.0
136.98775	1.9
139.00406	6.1
140.01199	4.3
141.01927	1.2
149.02408	1.2
151.00374	7.1
151.04010	2.1
155.66656	0.7
161.02425	0.9
163.00374	0.7
165.01970	1.1
166.06367	14.2
167.03468	2.0
167.07004	1.0
168.00616	5.8
169.01443	27.4
170.01682	1.3
175.04039	0.9
177.01971	1.0
181.08757	4.6
181.79326	0.8
183.03004	2.8
193.01535	0.8
211.02492	4.0
225.03972	2.1
247.02699	0.9
249.03705	1.0
257.00998	1.4
271.04553	1.7
271.99423	1.1
275.01999	2.2
285.06104	1.5
289.07144	0.9
298.98276	1.1
299.99103	0.8
300.99854	8.0
302.00150	2.2
313.05676	2.8
319.41916	0.8
371.09851	0.8
387.09384	3.2
427.68497	0.8
451.99683	1.4
465.06750	2.5
477.10062	0.9
569.18811	100.0
570.19055	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	632.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89287	1.0
57.08689	0.9
59.01377	5.8
61.98841	6.0
62.60229	0.9
71.01374	4.8
71.28552	1.2
73.02938	1.7
75.37203	0.9
79.01866	1.4
80.96431	1.0
83.01390	1.5
85.02957	3.0
86.05995	1.0
86.56943	1.0
89.02451	1.3
90.55540	0.9
93.03455	1.9
95.01383	2.7
96.96007	1.8
99.04549	1.1
101.02455	3.1
101.06069	1.5
107.01398	5.8
107.65794	0.9
108.02194	9.9
109.03018	6.9
110.03328	1.1
111.00902	2.9
113.02486	2.3
123.00880	13.3
123.04536	2.4
125.02453	23.7
136.98869	0.9
137.02402	1.9
139.00391	6.1
140.01187	1.9
149.02422	1.6
151.00368	11.6
151.03986	2.4
152.01163	9.9
153.01962	7.8
154.02330	1.2
163.04031	1.5
164.04732	2.1
165.01915	1.7
167.03468	3.2
168.00641	4.8
169.01436	33.6
170.01736	1.4
179.03514	1.4
195.21288	0.9
211.02423	6.8
271.04428	6.6
289.07013	1.9
298.06458	1.1
301.00040	1.5
303.08521	1.0
310.62961	1.0
313.05698	3.6
450.07761	1.7
451.08514	2.6
456.07190	1.1
485.16730	5.8
488.93317	1.2
568.75922	1.1
569.22382	100.0
570.22626	12.7
614.16016	2.1
632.16833	16.6
632.34052	1.8
633.18152	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	632.22
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08654	0.5
59.01385	3.1
61.98844	3.6
64.08382	0.5
67.01878	1.1
71.01378	2.3
72.99333	0.7
73.17023	0.5
79.01906	1.0
83.01387	0.9
85.02939	1.1
89.02457	1.2
95.01397	1.7
96.03536	0.5
97.02958	0.7
99.04557	0.9
101.02445	1.2
101.06080	0.9
107.01403	3.4
109.35464	0.5
111.00890	1.5
113.02442	1.8
119.03535	0.6
123.00894	11.0
125.01537	1.0
125.02454	19.6
136.98805	0.9
137.02509	0.6
139.00372	3.9
140.01167	2.6
141.01926	1.9
151.00375	9.8
161.04553	0.6
167.03513	0.7
168.00648	4.8
169.01433	34.2
170.01749	1.2
207.04532	0.6
211.02493	15.1
271.04620	15.6
313.05664	3.0
331.06775	1.1
485.16681	6.6
486.16830	0.8
567.65619	0.5
569.22400	100.0
570.22809	13.7
606.05133	0.6
632.14276	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42908	0.6
57.03436	1.9
59.01385	6.4
61.64715	0.7
61.98838	11.9
63.05206	0.7
67.01889	0.8
69.03467	0.9
71.01378	3.3
71.29214	0.8
71.29575	1.2
72.99310	0.9
73.02963	0.8
83.01377	0.9
85.02953	2.3
87.00900	0.7
88.98754	0.8
89.02441	1.8
93.03429	1.0
95.01368	1.7
96.96035	3.5
97.02962	2.2
99.00894	0.9
101.02480	2.1
107.01405	4.7
108.02254	1.0
109.02982	3.4
110.03289	0.8
111.00904	2.3
113.02457	1.2
114.69562	0.7
121.02950	1.1
122.03751	1.1
123.00892	11.6
123.04544	4.1
125.02460	22.2
135.04503	2.0
136.98772	1.1
137.02460	4.3
139.00362	6.0
140.01158	2.8
149.02467	1.7
151.00386	9.4
151.04016	3.0
153.01958	1.2
161.02406	1.5
161.06093	0.9
162.03304	0.8
164.01112	0.8
165.01927	2.2
165.05508	1.3
167.03508	1.0
168.00624	2.3
168.99995	1.4
169.01436	25.0
179.03473	1.0
180.04016	1.0
187.04030	1.0
188.04707	0.7
195.06711	1.3
203.07196	2.1
204.07422	0.8
205.05109	1.4
205.84930	0.7
211.02469	3.3
221.08107	0.7
225.07567	0.9
245.08141	1.8
246.08536	1.3
271.04611	4.4
289.07224	12.2
290.07523	7.7
300.99939	1.4
313.05728	2.6
365.30453	0.8
393.34647	0.8
508.17078	1.5
518.21155	0.9
569.26086	100.0
570.26385	12.0
632.22076	4.2
632.32172	1.0
633.14600	1.3
633.34808	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.0734
Annotation	Isocorilagin
Peak:m/z	Relative Intensity
71.01350	1.0
78.95905	0.7
84.87677	0.6
95.01366	0.7
96.96013	0.8
107.01379	3.0
116.94917	0.7
117.03496	0.7
119.37681	0.7
123.00873	4.3
125.01666	1.0
125.02461	10.3
128.03557	4.3
145.02905	1.4
147.04488	1.4
157.02948	0.9
159.04456	2.2
161.02338	0.9
163.00502	0.9
163.04001	1.3
164.55763	0.7
169.01421	7.5
173.02414	2.5
175.03978	2.3
177.01938	1.8
185.02470	3.1
187.03986	0.9
189.01886	1.2
191.03450	1.2
193.01421	1.5
201.01941	4.2
203.02092	0.6
203.03549	6.4
211.02446	1.1
213.01871	1.8
214.02592	1.1
219.02928	1.5
229.01408	10.0
231.03030	6.7
245.00839	2.1
247.02431	1.1
249.04060	15.7
250.04410	1.2
257.00925	6.3
258.01608	3.1
259.02417	0.7
274.00995	1.6
275.01984	32.5
276.02332	2.1
283.99557	2.6
284.26428	0.7
299.02054	1.1
299.99139	2.9
300.99902	100.0
302.00272	6.5
302.45374	0.7
331.06702	1.5
419.06296	1.4
421.04434	1.3
463.05667	1.4
481.06024	1.7
516.27795	0.7
633.07373	52.1
634.07703	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	633.0737
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78459	0.6
62.69310	0.6
71.01370	1.2
71.12742	1.0
71.13076	0.7
71.76993	0.6
72.36035	0.7
74.40182	0.6
75.66022	0.7
89.01477	0.7
95.01382	1.9
107.01373	2.8
119.04967	0.9
123.00903	3.5
124.01612	0.9
125.02466	15.4
131.05078	0.8
145.02963	1.7
147.04526	1.7
151.04044	0.9
159.04498	2.6
161.02431	0.9
163.03992	1.2
169.01440	8.2
169.94116	0.7
173.02472	2.0
175.03970	3.3
177.01807	1.2
185.02419	4.1
187.03979	1.3
189.01994	1.1
191.03468	2.0
201.01944	4.3
202.02762	1.2
203.03528	8.9
204.03645	0.7
211.02547	0.9
213.01865	2.1
213.05446	0.9
214.02718	1.0
217.01433	1.2
219.02867	1.0
221.04507	0.8
226.76067	1.0
228.00778	0.6
229.01439	9.6
230.01930	0.8
231.02965	11.7
245.00827	2.1
247.02516	1.5
249.04074	21.2
250.04402	1.4
257.00891	7.9
258.01523	4.2
273.00403	0.9
274.01285	1.0
275.01993	42.3
276.02307	2.1
283.99576	3.2
299.99152	4.1
300.99908	100.0
302.00293	5.7
331.06863	0.8
463.05499	0.9
481.06390	1.3
587.96320	0.7
632.06488	0.9
633.07367	63.5
634.07703	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	633.0735
Annotation	Isocorilagin
Peak:m/z	Relative Intensity
54.76499	0.6
56.73157	0.6
56.74942	0.6
62.59582	0.6
63.08858	0.6
69.43121	3.6
69.43800	0.6
71.01359	1.3
85.02950	1.1
95.01349	1.3
95.80104	0.7
107.01374	2.9
123.00890	4.6
124.01627	0.7
125.02456	13.4
128.24164	0.6
129.03435	0.7
131.04979	0.9
133.02972	0.8
145.02917	1.7
147.04512	1.3
157.02934	0.7
159.04558	3.2
163.03993	1.6
169.01447	9.8
173.02419	2.7
175.04031	3.5
177.01929	1.8
182.93336	0.7
185.02444	3.7
187.04024	1.2
189.01924	1.2
190.02652	0.8
191.03461	1.5
193.01329	0.7
201.01923	4.7
203.03516	10.9
204.03874	0.9
205.87680	0.7
211.02432	1.0
213.01978	1.9
214.02699	0.8
217.01529	0.7
219.03055	1.3
221.04526	0.8
229.01405	10.1
231.02988	14.5
245.00905	2.1
247.02498	2.0
249.04048	32.4
250.04314	1.9
257.00940	9.4
258.01642	3.9
273.00540	0.8
275.01990	44.2
276.02255	2.4
283.99631	2.8
284.89465	0.8
299.99149	2.4
300.99905	100.0
302.00253	5.5
331.06790	1.2
382.11548	0.7
419.06372	1.3
427.80304	0.9
463.04605	1.0
481.06277	1.1
633.07349	68.9
634.07776	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	633.0737
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.5
69.23929	1.5
69.24346	1.5
71.01385	0.7
72.61308	0.4
83.34439	0.4
95.01395	0.9
98.21802	0.9
100.48882	0.4
123.00907	2.4
125.02465	3.1
143.89430	0.4
145.02957	1.2
157.02873	0.5
159.04543	1.1
161.02461	0.5
163.04012	0.7
169.01474	3.0
173.02412	1.5
175.04028	0.7
177.01974	0.6
185.02448	2.9
190.02750	0.7
191.03506	0.7
201.01950	2.5
203.03500	3.1
213.02032	1.0
217.01447	0.8
219.02914	0.6
226.99860	0.6
229.01405	6.7
231.03014	2.6
234.70491	0.4
245.00868	1.0
249.04024	3.3
257.00928	4.8
258.01636	1.6
273.00345	1.0
275.01987	11.5
276.02274	0.5
283.99579	2.9
299.99121	2.9
300.99921	100.0
302.00244	6.0
371.20358	0.6
375.54785	0.4
410.85306	0.5
430.47208	0.4
460.45258	0.4
463.05182	2.1
633.07349	34.9
634.07513	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	633.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.5
61.98840	7.0
66.28880	0.4
67.01885	0.7
68.99826	0.6
69.03453	1.7
71.01399	1.0
71.60652	0.5
72.92937	0.4
72.99312	0.5
79.01897	0.6
79.95744	2.4
81.03456	2.4
83.01405	1.6
91.01899	0.5
95.01389	1.2
95.05030	1.3
96.96001	1.2
97.02960	2.3
105.03438	0.6
107.01408	5.6
108.02243	0.7
109.02957	1.1
111.00909	1.1
119.05104	0.6
121.02966	1.2
123.00887	3.6
123.04543	6.3
124.01696	1.4
125.02457	64.4
126.02797	1.4
127.00418	0.5
137.02470	1.8
137.06053	1.7
139.00385	1.5
139.04068	1.0
140.01155	1.6
147.04536	0.7
149.02446	3.4
150.03255	1.4
151.00378	1.6
151.04008	0.8
152.01176	0.7
153.01952	1.5
161.02448	0.6
161.05992	0.7
163.04001	1.2
164.04784	0.7
165.01942	1.2
165.05586	1.6
166.99886	0.6
167.03519	13.3
168.00671	4.5
168.01921	0.7
169.01440	100.0
170.01765	3.2
175.00383	2.0
177.01938	1.2
179.03476	1.9
181.05121	0.9
183.02925	0.6
191.03510	13.8
193.01414	7.4
195.03102	0.7
197.04463	0.6
209.04588	14.4
211.02502	14.6
212.02870	0.8
221.04543	1.3
233.04556	0.7
239.05627	6.1
241.03552	2.3
249.04144	1.2
250.04486	0.7
271.04623	28.4
272.05008	1.7
275.02048	1.4
289.07095	1.0
292.14676	0.6
300.99875	2.7
311.07751	1.1
313.05673	2.2
343.14053	0.7
421.07608	0.9
463.08929	9.3
464.09372	1.3
465.06921	5.0
481.09924	10.4
482.10474	1.1
633.10016	7.4
633.20728	3.3
634.11127	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16762	2.1
57.03431	1.8
58.86366	1.4
59.01379	1.8
60.16147	1.6
61.98821	1.5
69.03427	2.1
71.01390	4.8
71.29639	3.0
79.63387	1.5
81.03443	2.4
84.89181	1.7
85.03004	1.7
93.03469	18.5
94.98094	3.5
95.01395	3.4
96.96006	3.0
107.01409	9.2
109.02972	3.2
111.00951	2.6
111.04529	5.4
119.05043	67.2
120.05407	2.6
123.00908	14.7
123.04464	1.9
124.01688	4.6
125.01543	3.7
125.02455	71.1
126.02745	2.7
128.84976	1.5
137.02455	12.8
139.00365	4.4
140.01180	3.5
145.02956	6.1
150.03181	3.0
151.00400	12.2
155.03493	7.9
161.02544	2.5
163.04019	55.3
164.04285	2.1
165.01912	3.2
166.02704	2.0
167.03532	4.0
168.00645	3.7
169.01439	87.3
170.01659	2.5
177.01895	4.8
179.03490	1.9
180.66702	1.6
195.06732	2.0
211.02507	2.7
229.01321	1.9
231.02962	3.1
238.18336	1.7
241.03618	2.3
249.03973	4.3
270.53500	1.6
271.04483	3.0
275.02084	6.1
276.02249	2.2
301.00006	12.0
302.00330	1.9
313.05615	30.6
314.05884	2.0
319.08273	12.5
433.11316	3.6
459.09314	6.4
477.10434	100.0
478.10947	10.1
481.13837	21.3
482.13953	2.7
633.14838	31.6
634.14557	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	633.184
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03384	0.8
57.03450	0.9
59.01378	3.5
65.00326	1.0
67.89686	0.7
69.03457	1.2
69.86052	0.8
71.01373	6.3
71.13188	0.9
72.99326	1.1
79.01873	1.3
83.01397	1.2
85.02974	1.0
89.02431	1.0
95.01393	1.8
96.96025	1.7
97.02943	1.0
101.02445	1.7
107.01405	13.7
109.02955	1.3
111.00896	2.9
113.02451	1.8
123.00899	15.1
123.04654	0.9
124.01688	2.0
125.02458	76.7
126.02766	2.4
127.00388	1.8
134.03726	2.5
135.04515	1.6
136.01669	4.5
136.98831	3.2
137.02408	4.2
139.00391	6.8
139.04002	1.9
140.01186	5.6
141.01884	1.6
149.02467	1.2
151.00378	10.3
151.03981	5.8
153.01862	1.0
159.04613	1.2
161.02464	1.9
163.00392	0.9
165.01964	2.7
166.99763	1.9
167.03511	3.7
168.00662	16.3
169.01440	91.2
170.01726	2.6
173.02284	0.8
177.01915	1.5
178.33197	0.8
183.02989	4.2
191.03474	1.4
193.01433	2.7
201.01921	1.1
203.03525	2.0
211.02492	48.5
212.02829	1.1
213.05597	4.1
217.01691	1.0
223.04263	1.1
229.01462	1.4
241.01387	1.2
241.05159	19.4
242.05626	2.0
248.52264	0.8
249.03946	1.6
256.07410	8.8
257.08145	3.2
271.04617	93.2
271.09744	10.6
272.05081	4.0
273.00452	1.1
274.33807	0.8
275.02066	3.4
283.02573	2.7
287.02139	0.9
299.98846	1.0
300.99960	9.3
301.03287	1.6
302.00302	1.4
313.05725	22.5
318.02756	1.0
327.07224	2.7
331.06717	25.9
332.06927	1.3
390.27957	1.0
458.58279	0.8
507.07751	1.2
615.08813	1.8
633.09021	6.6
633.18298	100.0
634.08514	1.0
634.18469	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	633.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05611	0.6
57.03453	36.1
59.01376	2.7
61.98803	0.8
71.01373	1.7
72.99309	0.6
75.66842	0.6
78.05793	0.6
79.86347	0.9
81.03461	1.5
99.04526	34.8
100.04862	0.7
101.02462	8.7
105.17037	0.7
111.00875	0.9
117.03440	4.1
121.02930	0.8
123.00930	0.8
125.02459	29.8
126.02878	0.9
133.02873	0.8
137.02444	1.1
143.03532	0.7
149.02425	1.8
151.00409	1.1
168.26041	0.7
169.01488	0.7
171.10172	0.9
175.04047	1.5
177.01939	7.9
178.99879	1.6
193.08609	0.9
197.06102	2.0
225.05588	1.8
233.08107	1.3
241.05104	1.4
253.05106	1.7
268.07413	1.4
269.04559	8.6
269.07193	1.2
270.05087	0.7
283.06165	0.9
297.04062	50.6
298.04501	5.0
311.05591	2.3
312.06421	82.6
313.06915	9.2
326.07904	2.0
327.08755	100.0
328.09100	7.7
353.10428	0.7
373.25970	0.8
471.13068	2.9
489.13678	2.0
597.47284	0.8
633.20331	1.4
633.31750	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.2
59.12997	1.1
61.98851	6.7
69.36572	2.2
69.36914	6.0
71.94658	1.2
73.04075	1.3
77.30164	1.1
93.03488	5.0
96.96018	4.6
98.21796	2.8
109.02943	4.3
115.00395	1.7
116.92867	3.5
121.02969	8.8
122.03751	14.9
123.00915	2.5
123.04550	2.2
125.02443	8.7
126.24388	1.2
131.47585	1.1
133.03012	2.5
135.04445	1.5
136.01660	1.3
137.02455	17.0
138.03232	2.4
139.04031	2.1
140.07771	1.2
149.02452	41.9
149.06134	3.0
150.03239	91.6
151.00397	4.5
151.03957	5.5
152.04758	4.5
153.02029	1.7
153.05598	7.8
161.02510	1.3
164.04793	10.9
165.01947	17.1
165.05580	100.0
166.02725	8.4
166.05959	2.6
167.03545	2.6
167.07153	4.3
169.01465	4.5
177.01949	3.2
177.05547	2.2
179.03577	9.0
179.07172	2.0
180.04286	16.3
181.05077	57.2
182.05797	4.1
190.85143	1.4
191.03577	1.8
194.05840	2.6
195.06631	90.5
196.07394	37.8
197.08150	5.3
205.05205	1.4
209.08105	2.8
210.05399	1.6
211.09769	38.3
212.06924	5.4
212.10144	1.6
225.07693	10.9
227.09219	13.6
267.09167	1.3
271.06232	1.3
289.07245	2.2
299.09387	1.5
300.99911	3.1
343.11929	4.4
357.13486	3.7
359.11517	3.6
368.48160	1.5
373.12943	46.0
374.13571	6.3
389.16135	12.4
421.14896	11.1
437.18176	4.1
453.12875	2.1
463.08694	1.3
485.12888	1.7
525.21185	5.8
585.23541	18.0
586.23169	2.7
633.23260	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	633.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.2
59.12997	1.1
61.98851	6.7
69.36572	2.2
69.36914	6.0
71.94658	1.2
73.04075	1.3
77.30164	1.1
93.03488	5.0
96.96018	4.6
98.21796	2.8
109.02943	4.3
115.00395	1.7
116.92867	3.5
121.02969	8.8
122.03751	14.9
123.00915	2.5
123.04550	2.2
125.02443	8.7
126.24388	1.2
131.47585	1.1
133.03012	2.5
135.04445	1.5
136.01660	1.3
137.02455	17.0
138.03232	2.4
139.04031	2.1
140.07771	1.2
149.02452	41.9
149.06134	3.0
150.03239	91.6
151.00397	4.5
151.03957	5.5
152.04758	4.5
153.02029	1.7
153.05598	7.8
161.02510	1.3
164.04793	10.9
165.01947	17.1
165.05580	100.0
166.02725	8.4
166.05959	2.6
167.03545	2.6
167.07153	4.3
169.01465	4.5
177.01949	3.2
177.05547	2.2
179.03577	9.0
179.07172	2.0
180.04286	16.3
181.05077	57.2
182.05797	4.1
190.85143	1.4
191.03577	1.8
194.05840	2.6
195.06631	90.5
196.07394	37.8
197.08150	5.3
205.05205	1.4
209.08105	2.8
210.05399	1.6
211.09769	38.3
212.06924	5.4
212.10144	1.6
225.07693	10.9
227.09219	13.6
267.09167	1.3
271.06232	1.3
289.07245	2.2
299.09387	1.5
300.99911	3.1
343.11929	4.4
357.13486	3.7
359.11517	3.6
368.48160	1.5
373.12943	46.0
374.13571	6.3
389.16135	12.4
421.14896	11.1
437.18176	4.1
453.12875	2.1
463.08694	1.3
485.12888	1.7
525.21185	5.8
585.23541	18.0
586.23169	2.7
633.23260	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	633.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98806	5.8
69.02613	5.5
69.03047	6.0
73.19270	1.2
96.96008	2.2
98.22530	3.1
107.23534	1.3
107.53335	1.4
117.03484	13.6
119.05005	5.3
121.02953	1.8
133.02963	23.1
134.03757	5.1
135.04558	7.6
137.02425	2.1
139.03932	1.4
140.92683	1.5
145.02960	51.8
146.03212	1.8
160.84143	5.7
161.02455	48.0
162.02734	2.0
162.83842	1.8
163.03966	2.2
179.03484	2.5
190.20670	1.5
208.58099	1.5
589.39423	13.6
590.38940	1.7
596.17761	1.8
614.94012	1.6
615.33008	1.6
633.35468	100.0
634.24414	2.0
634.35602	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3779
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99928	0.4
61.98826	0.7
66.34624	0.7
69.20940	3.1
69.21334	0.9
77.45314	0.4
79.08405	0.4
117.03474	29.7
118.03836	0.8
119.05042	9.7
121.02964	2.0
123.04498	0.8
133.02960	2.1
134.03745	0.6
135.04533	1.1
139.41959	0.5
145.02968	100.0
146.03291	3.6
151.88165	0.5
161.02483	3.7
162.02972	1.8
163.04062	4.5
219.18352	0.5
409.31186	0.7
469.33313	2.1
487.34924	0.7
513.32404	0.8
533.31635	0.6
589.38403	1.9
633.37958	98.8
634.38293	17.2
664.51697	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.38
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	5.5
67.11900	1.1
110.37105	1.1
111.22010	1.4
116.92824	2.9
117.03461	26.5
118.15223	1.0
119.05045	20.2
121.02987	1.7
133.02959	9.8
134.03772	2.9
135.04517	5.0
137.02419	2.7
145.02963	79.9
146.03325	2.1
161.02454	25.7
162.02956	1.8
162.83945	1.7
163.04008	24.7
165.43581	1.3
176.14359	1.2
179.03499	1.5
180.82310	1.3
252.39711	1.3
268.99283	1.2
323.09186	1.3
407.32996	2.5
418.47211	1.4
571.37537	4.8
583.87122	1.4
587.33331	2.6
589.36041	5.4
605.34961	3.5
615.35327	1.5
633.38104	100.0
634.38025	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	633.3784
Annotation	Guavacoumaric acid
Peak:m/z	Relative Intensity
62.13305	0.8
71.27994	1.2
71.28355	1.1
87.04551	1.0
111.04557	1.1
117.03484	25.7
118.03837	1.6
119.05040	16.2
121.02931	2.0
123.04559	1.4
133.02975	7.3
135.04543	1.9
145.02966	84.8
146.03331	3.5
152.30692	1.1
161.02457	17.9
163.04021	21.9
178.53798	1.0
181.08705	3.1
195.06703	1.4
209.08095	1.8
225.07712	1.3
256.43854	1.0
396.20972	1.8
397.21439	2.3
571.37958	3.0
589.39386	1.7
633.38000	100.0
634.38348	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
58.31891	2.2
59.01379	2.9
61.98838	15.9
67.45036	2.4
69.69692	2.4
71.29605	3.4
75.46132	2.3
79.25377	2.4
83.85342	2.7
86.94115	2.4
93.03437	2.5
116.92859	6.1
117.03486	31.0
119.05021	8.5
133.02982	11.6
134.03777	3.1
135.04533	6.2
145.02966	92.8
146.03343	6.8
160.84189	5.5
161.02480	33.9
162.83952	5.8
163.04037	5.7
179.03415	4.5
323.16907	2.5
330.41315	2.3
395.14337	2.5
553.60913	2.7
589.38062	10.4
633.37622	100.0
634.19525	5.1
634.38092	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	633.38
Annotation	Myriceric acid B
Peak:m/z	Relative Intensity
51.50530	0.3
51.63533	0.4
53.22552	0.3
53.86165	0.3
71.20081	0.3
93.03471	0.9
96.95993	0.4
105.03477	0.7
109.02966	1.4
114.40630	0.3
121.02975	1.0
122.03767	0.7
123.04529	0.7
132.02200	0.4
133.02969	23.7
134.03297	0.7
135.04533	1.2
137.02495	0.8
146.90468	0.5
149.02498	2.3
150.03255	1.8
151.04030	5.4
153.01945	0.6
161.02466	9.0
177.01936	38.0
178.02347	1.3
179.03531	0.5
453.33344	0.7
455.35541	0.5
587.37103	0.5
589.38959	1.3
601.35571	0.5
633.37970	100.0
634.38269	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	633.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16280	0.6
55.27745	0.6
61.61458	0.6
64.67786	0.6
69.35838	1.4
69.36246	2.4
72.43853	0.6
76.75992	0.6
110.75689	0.6
113.83937	0.6
117.03546	1.1
126.29462	0.6
128.74860	0.6
132.02151	1.7
132.73891	0.7
133.02969	33.3
134.03845	3.8
135.04532	11.1
137.02460	2.0
139.04056	0.9
161.02454	88.1
162.02773	3.6
178.02686	1.3
179.03484	2.8
197.97543	0.6
229.12550	0.7
238.81427	0.7
497.33017	1.5
586.81262	0.8
588.13647	0.6
606.30804	0.7
633.37970	100.0
634.38373	19.5
634.48914	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56659	0.5
53.32028	0.5
56.43850	0.5
69.52425	0.7
71.16806	0.8
75.75839	0.5
117.03455	0.8
132.02196	1.0
133.02968	26.5
134.03714	2.1
135.04546	7.6
137.02441	2.1
161.02455	68.7
162.02768	3.3
179.03487	1.2
201.72952	0.5
203.37613	0.6
220.35481	0.5
348.21848	0.6
394.89828	0.6
633.37970	100.0
634.38293	15.8
655.09760	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10077	0.3
61.00780	0.3
78.76221	0.3
79.15852	0.3
101.03716	0.3
104.86508	0.3
107.49821	0.4
117.03506	0.4
121.03026	0.4
132.02220	0.7
133.02968	16.8
134.03789	4.4
135.04546	9.4
136.04855	0.4
137.02475	2.4
139.04060	0.8
161.02457	39.7
162.02792	1.4
163.04019	0.4
178.02719	0.9
179.03494	3.9
307.11789	0.3
333.21323	0.4
454.62473	0.3
483.31479	0.4
569.36639	1.5
570.36719	0.5
571.37964	14.8
572.38324	2.2
585.32050	2.4
615.36920	7.1
616.37323	1.4
633.37988	100.0
634.38312	18.4
634.49005	0.7
635.39429	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54339	0.6
93.98641	0.5
108.14461	0.5
130.69746	0.6
132.02174	0.8
133.02969	17.1
134.03767	1.6
135.04536	5.7
137.02473	1.0
161.02457	57.0
162.02792	3.2
163.04091	0.8
179.03516	2.6
409.56763	0.6
540.24249	0.6
571.37848	1.2
589.39050	21.9
590.39093	3.3
633.37946	100.0
634.38293	17.9
634.48938	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07188	0.6
69.07616	1.3
73.19762	0.2
92.63535	0.2
105.03436	0.3
106.10851	0.3
117.03478	0.3
132.02182	1.1
133.02968	20.4
134.03845	2.2
135.04546	5.2
137.02463	1.2
139.04002	0.7
156.67516	0.3
161.02457	56.6
162.02791	1.9
163.04008	0.3
178.02750	0.5
179.03461	1.4
198.36896	0.3
277.62967	0.3
304.80853	0.2
328.99228	0.3
345.45975	0.2
362.38669	0.3
411.22461	0.2
571.37836	0.6
589.39044	1.2
633.37958	100.0
634.38324	18.3
655.10071	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52843	0.4
57.15493	0.5
66.34633	0.6
70.94212	1.0
94.99654	0.5
99.39838	0.5
117.03468	17.7
118.03811	0.8
119.05009	2.5
121.02928	0.6
132.02222	0.6
133.02974	14.5
134.03709	1.5
135.04562	2.6
137.02397	0.6
145.02965	65.5
146.03337	2.4
152.40077	0.5
161.02454	43.0
162.02824	1.5
163.04042	3.5
179.03532	0.5
190.49481	0.5
195.65070	0.4
215.47713	0.5
293.02536	0.5
469.33707	0.6
589.39081	23.0
590.39252	3.9
633.37982	100.0
634.38312	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	633.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
69.20226	0.4
71.69738	0.4
81.11182	0.4
98.22546	1.0
121.02933	0.5
132.02150	0.6
133.02966	16.2
134.03769	3.6
135.04549	4.9
137.02444	2.3
139.04021	0.5
145.02980	0.6
155.53802	0.4
161.02463	29.7
162.02777	1.4
178.02785	0.5
179.03513	1.4
228.84032	0.5
389.84232	0.4
452.73535	0.4
453.33838	0.6
455.85803	0.4
456.67249	0.4
475.99225	0.5
486.64752	0.4
571.38000	0.6
589.38989	1.9
595.35693	0.4
633.37994	100.0
634.38306	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	633.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99603	0.4
60.02304	0.3
66.34624	0.7
69.12644	3.2
98.21754	0.5
109.49513	0.4
117.03474	23.7
118.03732	0.7
119.05031	3.1
130.22575	0.4
133.02963	1.2
145.02965	100.0
146.03279	3.4
161.02461	3.2
163.03989	3.3
166.96539	0.4
172.58237	0.3
187.80278	0.4
343.83292	0.4
362.68369	0.4
455.31625	1.3
467.31259	0.5
469.33267	0.5
533.31427	0.5
589.39325	0.6
633.38000	78.9
634.38281	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	633.3803
Annotation	Myriceric acid B
Peak:m/z	Relative Intensity
53.68214	0.7
61.98810	1.1
69.55199	1.9
69.55605	2.7
93.03452	2.0
105.03445	1.9
107.25747	0.8
109.02956	1.2
121.02950	4.6
123.04541	1.1
132.90712	0.7
133.02965	29.2
134.03770	16.4
135.04539	13.1
137.01465	1.6
137.02464	21.7
138.47609	0.9
139.04018	6.4
148.05215	1.1
149.02466	4.0
149.06100	2.4
150.03270	3.8
153.01956	1.5
161.02455	59.1
161.06152	1.5
162.02805	2.9
165.01880	1.5
177.01938	4.7
178.02715	12.9
179.03508	8.9
191.83704	0.9
194.02232	2.2
214.10594	0.9
217.92957	0.9
219.06348	0.8
287.12906	2.4
301.14474	4.9
313.14459	1.5
315.16055	2.9
353.17639	14.2
354.18008	1.1
355.19144	11.5
356.19739	1.3
367.08612	0.9
368.19891	5.4
369.20712	59.1
370.21069	6.1
397.19965	1.9
400.18857	3.5
402.20584	7.2
571.37720	2.7
587.37885	5.2
588.37286	1.3
589.38879	2.7
599.38037	1.4
601.35205	3.6
615.36908	14.4
616.37329	3.9
633.37958	100.0
634.38287	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3801
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91423	0.4
52.31182	0.4
59.01363	0.4
61.98839	1.9
66.34599	0.5
71.29654	0.5
81.06345	0.4
89.03996	0.4
93.93101	0.5
96.95995	0.5
112.34740	0.4
115.92075	0.5
116.92845	0.5
117.03482	27.1
118.03807	1.3
119.05033	6.6
119.26221	0.4
121.02952	1.0
133.02962	5.4
134.03729	1.0
135.04596	1.9
137.02435	1.2
145.02966	100.0
146.03299	4.0
147.04501	0.6
149.02505	0.4
150.85431	0.4
160.84200	0.7
161.02448	12.2
162.83902	0.9
163.04008	4.1
168.67870	0.5
178.02708	0.6
179.03427	0.9
188.60829	0.4
214.14354	0.4
241.95676	0.4
288.53888	0.4
304.20895	0.4
307.63287	0.4
369.20740	0.5
425.30853	0.6
437.30527	0.5
446.30307	0.4
455.31696	0.7
469.33148	0.5
519.27728	1.6
589.36359	1.0
615.34149	0.5
619.44208	0.4
633.38098	96.1
634.38434	18.4
634.49066	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.4017
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28401	1.9
59.01374	9.3
71.01381	8.5
78.95911	2.4
87.00913	2.0
89.02445	13.6
101.02452	6.8
104.69509	1.9
113.02456	2.9
119.03532	3.1
120.41264	1.8
133.02997	6.3
135.04549	2.4
138.18111	2.1
156.97835	2.8
161.02435	9.3
161.04555	3.2
163.00298	2.5
171.77797	2.2
177.01863	2.2
178.98206	1.9
179.05629	7.4
190.40977	1.9
197.92671	2.5
214.85156	1.8
255.47278	2.0
280.18161	1.9
400.84888	1.9
410.84418	2.1
453.33771	100.0
454.34329	13.4
589.92566	2.1
632.93781	2.2
633.37579	23.0
634.38184	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	633.4014
Annotation	Lucyoside Q
Peak:m/z	Relative Intensity
59.01385	13.2
69.67702	8.1
71.01384	10.1
78.95898	2.9
84.09635	2.2
89.02450	16.4
93.57595	2.3
98.21815	2.9
101.02454	5.2
113.02438	3.5
133.02997	6.5
143.03421	2.3
158.59122	2.1
161.02451	10.4
161.04579	3.8
164.68768	2.0
178.98424	2.4
179.05611	7.0
179.45651	2.5
196.79207	2.1
203.09172	2.2
406.22171	2.4
453.33783	100.0
454.34430	11.6
481.14850	2.8
505.12598	2.3
633.37677	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	633.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18967	1.2
69.24435	1.1
89.33618	1.1
122.46710	1.2
133.02963	14.3
134.03716	4.7
135.04538	4.0
137.02435	3.9
137.74239	1.1
149.55907	1.0
155.08568	1.1
161.01125	2.0
161.02455	36.7
198.12105	1.0
264.95999	1.0
429.17917	1.1
478.12137	1.2
633.41608	100.0
634.42145	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	634.36
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31885	1.8
59.01366	9.4
61.98812	6.0
69.10483	16.2
71.01379	6.0
73.02940	3.7
84.00903	4.6
85.02954	5.7
89.02462	4.0
95.01382	3.0
97.28773	2.1
101.02452	4.8
109.06568	1.9
113.02476	6.1
119.03531	3.0
125.02455	5.8
137.02473	2.8
151.04109	2.1
169.01418	3.9
179.07062	2.2
204.05103	5.7
209.08096	2.1
209.11855	2.2
288.09576	2.8
309.09824	5.3
429.30130	100.0
430.30524	12.1
443.31772	3.3
545.01031	2.5
591.35358	3.2
634.35828	7.7
635.30554	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	635.0891
Annotation	Gallotannin
Peak:m/z	Relative Intensity
59.01373	0.6
67.01897	0.7
68.99823	0.4
69.03464	2.0
69.45522	1.6
71.01389	1.9
73.02938	0.5
80.75902	0.3
81.03476	1.1
83.01380	0.9
85.02939	0.8
87.00867	0.4
89.02443	0.5
95.01398	1.5
96.96011	0.4
97.02968	1.8
101.02464	1.2
107.01409	6.0
109.02950	0.8
111.00898	1.5
113.02464	1.3
121.02979	0.5
123.00895	5.4
123.04486	0.8
124.01680	1.6
125.02459	83.3
125.80200	0.4
126.02803	2.2
137.02443	2.1
138.03174	0.6
139.00366	2.5
139.03975	0.4
140.01208	2.2
143.03537	1.0
150.03201	0.4
151.00392	2.8
151.04053	0.7
153.01897	0.7
161.02493	0.5
165.01961	1.9
165.05591	0.5
166.99892	0.9
167.03535	1.8
168.00668	4.9
169.01439	100.0
170.01752	3.1
177.01884	0.8
179.03557	0.5
181.01450	1.3
183.03064	0.6
193.01431	5.2
205.01311	0.5
207.02992	0.9
209.04712	0.5
211.02496	12.4
223.02496	1.0
235.02525	1.8
241.03580	1.4
253.03596	1.3
271.04611	7.0
295.04660	4.9
300.25327	0.4
300.99902	0.6
305.06769	0.6
313.05612	7.0
314.06079	0.6
331.06802	0.7
405.04654	0.5
423.05585	5.0
465.06735	9.0
466.06894	0.9
483.07718	10.6
484.08444	1.2
546.07874	0.4
591.09912	0.8
635.08936	59.0
636.09222	7.0
636.19226	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.0897
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.3
67.67617	0.6
69.03438	2.0
69.54693	3.1
71.01394	2.9
72.50050	0.5
73.02907	0.7
76.45277	0.6
79.01926	0.8
81.03465	0.7
83.01389	1.2
85.02970	2.4
87.00854	0.9
89.02441	0.8
95.01392	1.8
97.02972	2.2
98.21813	0.5
101.02456	2.2
107.01394	11.4
109.02948	2.5
111.00887	3.1
113.02454	3.8
118.98115	1.3
123.00886	6.5
123.04507	1.3
124.01685	1.0
125.02456	78.8
126.02814	2.4
136.98787	0.7
137.02420	1.3
139.00394	3.7
139.04041	0.9
140.01137	2.0
141.01912	1.0
143.03490	0.9
151.00368	4.3
151.04044	1.2
152.08441	0.6
161.02403	0.9
161.08192	0.8
165.01933	0.9
166.99872	1.5
167.03500	0.6
168.00566	4.9
169.01436	100.0
170.01796	3.3
173.02350	0.7
179.03461	1.3
191.03473	0.8
193.01421	2.6
211.02463	6.0
221.04521	0.8
245.08275	1.0
251.05595	1.0
271.04657	2.5
275.02127	0.7
289.07205	4.0
290.07678	0.9
295.04608	3.1
300.99866	3.6
302.00272	2.7
303.00443	2.4
313.05649	10.7
321.02493	1.0
331.06833	1.6
345.11807	1.2
386.87820	0.6
465.06689	14.7
466.07040	2.1
483.00784	0.8
483.07849	26.3
484.08057	3.2
635.08875	42.3
636.09058	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	635.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01894	1.8
69.03463	1.3
71.01392	2.2
75.32380	0.9
79.01882	1.5
79.95742	2.9
82.00592	1.0
83.01380	1.3
85.02956	1.3
87.00887	1.4
95.01410	2.1
96.96021	93.8
97.02969	2.2
101.02448	1.4
105.66262	1.2
107.01401	12.2
109.02953	1.6
111.00881	4.5
113.02470	1.8
119.05041	1.3
123.00902	12.4
124.01678	3.4
125.02459	65.2
126.02802	1.8
127.00430	1.6
135.04552	1.0
136.98846	2.6
137.02422	2.5
139.00398	14.4
139.04019	3.0
140.01155	10.5
141.01929	3.2
149.02415	1.3
151.00398	5.7
153.01915	2.3
153.31264	1.0
154.02724	6.7
155.03465	1.4
160.05396	1.0
163.03966	1.5
166.99867	2.9
167.03458	1.4
168.00688	12.1
169.01440	66.1
169.05089	3.7
170.01787	2.2
177.01898	1.8
177.54384	1.1
179.03470	1.5
181.01443	1.4
183.03015	6.9
193.01550	1.1
211.02560	3.3
237.04021	1.8
271.04559	2.2
297.06180	1.8
313.05695	7.5
327.06955	1.3
331.06821	1.5
446.68945	1.1
454.44760	1.1
483.11374	17.9
537.19751	1.1
635.12524	100.0
636.12823	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	635.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01369	0.3
71.28957	0.2
71.29326	0.2
77.81124	0.1
79.95751	2.8
84.65958	0.2
95.01385	0.2
96.96018	100.0
109.02943	0.3
123.00898	0.8
125.02454	2.2
127.55947	0.2
129.46869	0.2
139.00363	0.3
140.01077	0.2
150.03235	0.2
151.00366	0.5
168.00671	0.2
169.01443	2.1
211.02477	0.4
217.72325	0.2
224.97307	0.2
228.39650	0.2
255.43086	0.2
266.98352	0.3
308.24750	0.2
308.99332	1.0
309.02423	0.2
313.05838	0.4
331.80698	0.2
465.06741	0.7
483.11322	0.2
537.19843	4.1
538.20148	0.4
575.15192	0.2
635.19629	0.3
651.39258	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25258	1.3
57.03429	1.6
59.01382	10.3
60.42892	1.3
61.98839	4.7
69.02229	3.2
69.02648	8.4
69.03426	1.5
71.01398	7.2
73.02948	2.1
81.03455	1.5
83.01390	1.7
85.02968	3.7
87.00856	1.9
89.02470	4.7
95.01405	2.7
96.95991	10.3
97.02979	2.1
99.92608	1.3
101.02443	6.1
107.01389	9.8
109.02966	2.3
111.00903	6.9
113.02461	3.1
115.92149	1.9
116.92875	3.8
121.03017	1.1
123.00891	13.3
123.04517	1.9
124.01743	1.2
125.02457	37.6
125.03345	2.2
126.02773	1.6
127.00319	1.2
130.33107	1.3
135.04591	1.5
137.02457	2.4
139.00385	5.9
139.04019	1.5
139.11311	4.4
140.01202	3.7
141.01974	2.1
145.59987	1.1
151.00378	9.6
151.04068	1.9
152.85980	1.2
153.01944	1.9
155.10892	1.6
168.00629	5.7
169.01439	45.6
179.03577	1.2
181.05052	1.7
183.10297	3.8
193.08740	1.5
220.02055	1.4
235.04451	2.5
243.12358	1.4
261.07773	2.1
273.07745	1.5
285.00293	1.9
297.97693	2.3
313.00031	3.8
313.05728	4.0
328.02213	2.3
329.02942	1.9
343.11798	1.9
371.24393	2.6
381.12213	3.6
445.41583	1.0
461.10626	1.5
465.17697	2.1
473.32864	2.7
483.18777	36.7
484.19351	3.7
530.32343	1.2
594.07214	1.3
599.24292	6.0
635.19891	100.0
635.29797	11.0
636.20160	16.6
636.29663	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.5
56.25790	0.3
59.01371	1.2
64.06426	0.3
65.55630	0.3
67.01890	0.8
69.03461	0.7
69.17671	1.7
69.18072	0.6
71.01392	2.1
72.99299	0.7
73.02918	0.5
79.01907	1.0
81.03458	0.4
83.01398	0.9
85.02956	1.0
87.00894	0.5
95.01393	2.1
97.02968	1.1
100.01568	0.3
101.02448	1.3
106.00646	0.3
107.01410	6.6
110.00093	0.4
111.00904	2.2
113.02461	0.7
123.00893	10.9
123.01782	0.7
124.01695	2.3
125.02460	31.9
126.02790	0.8
127.00373	1.0
136.98784	1.6
137.02432	0.4
139.00381	4.2
140.01167	3.1
141.01930	1.1
151.00380	7.7
153.01945	0.7
154.99753	0.3
168.00662	4.5
169.01440	39.6
170.01781	1.2
176.89059	0.3
179.03494	0.5
181.01492	0.6
181.05089	0.4
186.98367	0.3
211.02551	0.5
237.03972	0.3
253.03401	0.4
261.72983	0.3
267.40561	0.3
313.05704	2.6
354.43039	0.3
415.60077	0.3
465.17786	1.4
473.29578	0.6
483.18753	37.2
484.19052	3.9
555.65930	0.4
635.19830	100.0
636.20142	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	635.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61548	0.3
59.01392	1.5
65.00299	0.3
67.01888	1.4
68.08844	0.3
68.99808	0.4
69.00517	1.6
69.00940	1.1
69.03445	0.4
71.01382	2.2
72.99306	0.5
73.02956	0.9
78.12801	0.3
79.01894	0.7
81.03469	0.7
83.01402	0.7
83.43544	0.3
85.02941	0.9
87.00890	0.7
95.01393	1.5
96.96027	1.7
97.02975	0.8
98.21799	0.5
101.02432	1.6
107.01405	8.2
109.02927	0.3
110.00108	0.5
111.00867	2.6
113.02468	0.9
123.00897	10.5
124.01754	1.8
125.02459	34.2
126.02806	0.8
127.00368	1.4
135.04515	0.3
136.98787	1.5
139.00391	4.3
140.01167	3.7
141.01884	1.4
151.00389	8.8
151.04135	0.3
152.00806	0.3
153.01973	0.6
161.04483	0.3
162.51500	0.3
163.03983	0.5
166.99835	0.4
168.00667	4.6
168.44691	0.3
169.01437	41.8
170.01762	1.2
179.03503	0.5
181.01399	0.8
181.05098	0.5
193.05142	0.4
253.03595	0.3
295.04456	0.7
306.59705	0.3
313.05615	2.7
465.17523	1.9
483.18750	37.8
484.19034	3.7
492.93634	0.4
635.19855	100.0
636.20178	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	635.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.3
61.98814	1.4
67.01883	0.7
69.03438	0.8
69.23988	4.5
69.24377	0.7
71.01385	3.6
73.02940	1.1
79.01887	1.1
80.46025	0.6
83.01395	1.4
85.02958	1.5
87.00900	1.0
89.02460	1.3
95.01395	2.4
96.96014	3.2
97.02945	0.8
101.02437	2.9
107.01407	7.8
109.02985	0.7
111.00895	2.8
113.02462	1.2
119.74914	0.7
121.87042	0.7
123.00892	11.6
124.01749	0.8
125.02454	27.9
126.02808	1.5
127.00368	1.5
135.04570	0.7
136.98848	1.0
137.02461	0.9
139.00392	4.8
140.01213	3.7
141.01897	1.1
145.02843	0.6
151.00394	7.1
153.01907	0.6
160.04059	1.2
161.04498	0.8
165.01909	1.5
168.00636	4.6
169.01437	37.4
170.01775	0.9
175.04002	0.7
179.05757	0.8
181.05032	0.7
195.06671	1.2
313.05716	2.5
326.08865	0.7
413.22269	0.7
465.17792	1.1
483.18768	36.0
484.19324	3.5
505.89798	0.8
527.88861	0.7
575.27527	0.7
635.19843	100.0
636.20184	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	0.7
58.27747	0.6
59.01389	5.1
61.98814	2.6
71.01379	4.0
71.29187	1.0
72.99289	1.3
73.02936	1.4
79.01944	0.7
83.01379	0.8
85.02956	1.8
87.00842	1.3
89.02422	0.8
95.01381	2.1
96.96022	5.0
97.02944	1.5
97.89646	0.6
99.97965	0.6
101.02438	2.7
102.51753	0.7
104.11547	0.6
107.01379	7.4
109.02960	1.3
111.00861	2.9
113.02444	2.2
115.92102	1.0
116.92847	1.0
123.00890	10.6
123.04518	0.8
124.01650	1.9
125.01532	1.6
125.02453	32.5
127.00417	1.1
128.03491	0.9
135.04524	0.9
136.98787	1.4
137.02382	0.7
139.00366	4.5
139.04042	1.2
140.01155	3.4
141.01929	2.0
143.04613	0.9
149.02400	1.0
151.00381	8.1
151.04007	1.2
153.01952	1.0
161.02472	1.0
161.04587	1.2
163.03928	1.4
164.04791	0.7
168.00627	5.6
169.01434	40.0
170.01761	1.3
181.05090	1.0
279.78381	0.7
289.07153	0.8
306.07706	1.5
307.07977	0.8
313.05618	2.6
317.09607	1.0
317.60040	0.7
334.96387	0.7
351.21771	0.9
355.24655	1.2
375.27731	0.7
389.25232	0.8
429.33759	1.4
465.18036	1.4
473.32718	57.2
474.33093	6.1
483.18738	40.4
484.18982	3.9
635.19745	100.0
636.19989	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	635.235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41491	0.3
57.03451	0.3
59.01377	2.3
61.54865	0.3
71.01385	1.3
73.02925	0.4
75.86768	0.3
85.02970	0.4
89.02440	1.1
93.03457	0.5
96.96035	0.7
101.02443	1.2
108.02171	0.5
109.02964	1.2
111.00886	0.4
113.02466	0.8
116.92915	0.3
119.03487	0.6
121.02972	2.6
122.03754	0.3
123.04562	0.6
123.60629	0.3
124.01685	0.4
125.02419	0.8
133.02962	0.4
134.03755	3.1
135.04543	1.9
137.02423	0.6
145.02937	0.5
147.04501	0.4
149.06093	2.8
159.04472	0.5
160.05278	0.8
161.02509	0.4
161.04590	0.4
161.06131	0.7
169.01408	0.8
173.06065	0.6
174.06865	3.4
175.07623	1.3
187.07677	0.6
187.11168	0.3
188.08434	1.0
189.09106	0.4
225.09230	0.5
239.10759	0.4
250.10263	0.3
251.10788	0.4
253.08754	0.5
255.06529	0.4
263.07257	0.6
264.07666	0.4
267.06360	0.4
268.10895	0.3
277.08633	0.7
278.09387	2.4
279.10291	4.7
280.10791	0.6
281.08221	4.8
282.08591	0.6
295.09769	5.1
296.10522	19.9
297.10806	1.6
311.12900	100.0
312.13229	8.7
312.16876	0.3
323.09692	0.3
355.25140	0.4
373.25916	0.6
397.60245	0.3
429.30142	1.9
473.25479	1.0
473.32645	2.6
474.33249	0.3
489.69864	0.3
635.22693	3.5
635.32043	1.4
636.23193	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.2
58.00581	0.4
59.01381	7.1
61.98824	1.2
68.98281	2.1
68.98703	1.8
71.01385	3.7
73.02947	0.6
74.98587	0.4
83.01390	0.6
83.05032	0.5
85.02956	1.2
87.00877	1.3
89.02440	2.7
92.23976	0.4
93.03449	0.6
96.48370	0.5
97.06577	0.6
99.00809	0.4
101.02454	2.4
107.05036	2.3
108.02185	0.7
109.03004	0.6
109.06551	0.4
111.00871	3.1
113.02443	1.4
119.03539	0.6
120.05811	0.5
121.02975	3.1
123.00879	0.9
123.04527	0.6
124.01682	0.9
125.02410	2.0
134.03729	3.6
135.04562	2.7
137.02451	0.8
138.06845	0.7
139.23012	0.5
147.08174	0.5
149.06081	3.8
153.01926	0.4
153.09193	2.0
159.04465	0.5
160.05252	0.5
161.02455	1.0
161.04692	0.7
161.06015	1.0
161.09706	4.5
161.13365	1.4
163.11250	0.8
169.01428	1.2
173.06026	0.7
174.06873	2.6
175.07671	2.3
177.05609	0.4
179.10826	0.5
187.04073	0.6
187.07640	0.8
187.11293	3.4
188.08391	1.3
189.09273	2.1
193.77545	0.4
205.12325	4.0
207.10318	1.0
223.13591	0.5
225.09261	0.7
249.11343	2.4
263.07278	0.5
267.12387	0.4
270.08936	0.6
277.08640	0.7
278.09491	1.9
278.12457	0.4
279.10217	4.6
280.10721	0.6
281.08228	4.1
294.09024	0.5
295.09760	5.2
296.10532	17.6
297.10818	1.4
311.12900	100.0
312.13229	7.4
333.25049	0.4
351.21783	0.6
355.24890	1.0
373.26144	0.6
375.27637	0.7
454.64526	0.5
473.32825	15.2
474.33023	1.1
608.76526	0.4
635.21796	3.1
635.30786	20.3
636.21014	0.5
636.31250	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	635.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
58.90865	0.6
66.69948	0.7
68.97667	6.4
78.95867	1.6
87.04512	1.6
95.04983	0.8
97.02937	0.7
109.02969	0.9
109.06570	1.7
111.04527	28.6
112.04836	1.0
113.09719	2.8
121.02905	0.6
123.04514	0.8
123.08144	2.7
124.24975	0.7
128.69987	0.6
131.05025	1.0
139.03995	2.9
151.07614	0.9
152.99574	0.7
165.09213	8.2
167.07123	1.9
173.06073	0.6
179.07072	0.8
181.08713	15.9
188.04785	1.2
189.05533	2.2
191.07140	1.7
193.08679	1.4
195.06587	2.4
207.06604	1.3
208.07358	1.3
209.08194	31.4
210.08499	1.2
213.09256	1.1
215.10811	0.8
219.06627	0.8
219.10278	0.7
221.08186	6.6
231.06432	1.5
231.10347	1.5
233.08182	1.7
235.74739	0.7
241.08658	2.5
243.10187	2.4
244.07397	0.9
245.08322	0.8
247.09793	1.2
255.23409	1.1
259.09750	26.7
260.09995	1.6
260.74429	0.6
262.08441	1.9
275.09277	1.8
283.09799	1.3
285.07697	1.3
285.11258	1.1
287.09274	29.8
287.12509	1.7
288.09784	3.6
289.10794	1.0
301.14514	0.8
311.09439	1.0
313.14410	1.0
314.08069	3.4
327.08728	3.0
328.09286	0.9
329.10059	0.9
329.13953	0.8
341.06534	1.0
342.07355	1.3
355.11844	9.9
355.15564	3.9
356.15775	0.7
359.15018	1.4
367.11584	0.9
369.09344	0.9
369.13507	1.3
371.15027	1.1
383.14868	1.2
384.12308	3.6
385.16519	0.8
387.14780	3.3
397.12811	1.0
399.14233	7.5
399.18146	16.0
400.19037	0.8
412.15228	0.8
413.15594	1.8
413.20297	5.9
425.19632	2.2
452.18170	2.3
453.19305	2.3
495.23853	1.2
523.22296	0.7
574.07117	0.7
577.20752	7.0
578.20593	1.1
635.28558	100.0
636.29059	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	635.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76537	0.5
53.12087	0.6
57.03440	1.1
59.01373	0.6
61.98809	0.7
62.01287	0.5
65.00327	0.8
74.89300	0.6
78.95901	2.0
81.03466	3.4
93.03529	0.8
95.05032	1.7
98.22594	1.6
99.08215	0.6
109.02961	1.3
109.06577	1.8
109.63069	0.6
111.04527	5.0
113.07390	0.6
113.09728	2.2
121.89249	0.6
122.03729	1.6
123.04529	1.0
123.08181	2.9
125.02461	4.3
125.06059	3.2
126.26220	0.6
137.02452	6.8
139.04024	2.2
147.08278	0.8
151.00359	0.6
151.04002	2.2
151.07692	3.3
152.99597	0.7
163.00383	1.6
163.79370	0.6
165.09219	28.2
166.02698	0.6
166.09592	0.8
177.05560	1.0
179.07133	1.8
181.08730	16.8
182.08910	0.5
189.05522	1.0
191.07188	3.2
193.08745	2.2
195.06636	12.0
203.07172	2.0
207.06616	6.5
208.07405	1.2
209.08205	100.0
210.08524	4.7
217.04649	0.7
221.08211	47.4
221.11786	1.8
222.08598	2.4
223.09610	0.6
229.24014	0.5
231.06433	2.4
234.04753	0.5
235.13414	1.0
237.14891	0.7
255.23364	1.4
259.09845	1.1
267.13531	0.6
287.09189	1.0
298.04993	0.7
299.05478	0.7
311.05673	0.8
314.07938	3.0
327.08755	8.2
328.09344	1.3
331.19226	2.5
337.10928	0.9
341.06589	1.1
342.07266	1.3
355.11835	31.2
355.14978	1.9
356.12091	3.0
367.12024	1.3
369.09631	0.8
369.13531	4.2
384.12119	4.7
385.16705	0.7
397.16669	0.8
399.14279	12.7
399.18198	28.8
399.25696	1.2
400.14139	0.8
400.18814	2.9
407.86703	0.6
409.16241	1.0
413.19717	40.8
414.19998	3.9
425.19760	4.0
427.21283	3.9
428.56607	0.6
453.23532	0.9
635.31622	16.0
636.30994	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61709	2.0
59.97270	2.7
68.99790	2.8
78.95901	6.4
79.01913	2.4
95.05049	2.1
109.02941	5.7
109.06587	2.9
111.00896	4.6
111.04534	26.1
113.09715	8.5
123.04574	3.0
123.08157	4.7
125.02419	3.6
137.02449	3.8
138.03247	6.4
139.04001	5.5
147.08165	14.8
150.90704	2.0
151.07631	2.9
152.99593	3.0
153.05565	3.0
162.06900	3.1
163.07619	5.1
165.01883	6.4
165.05592	2.3
165.09207	5.2
166.01517	2.6
166.02657	14.4
166.06366	2.2
179.07179	11.4
181.08716	97.9
189.05598	6.2
190.06357	11.2
191.05469	3.6
191.07156	54.7
192.07414	3.8
192.09245	1.9
193.05020	9.6
195.06606	9.7
203.03342	3.7
205.05035	6.3
207.06660	16.2
208.07401	35.5
209.08186	16.6
210.08513	2.3
223.06148	7.8
224.06845	3.2
225.07635	4.7
227.03246	2.8
229.04807	6.0
231.06418	34.2
235.05858	2.5
245.04233	4.5
249.07663	2.8
255.23282	7.6
275.05377	3.5
298.08362	2.6
299.09271	10.1
325.07132	8.3
327.08813	8.3
350.11578	2.6
351.11987	2.8
355.11746	8.2
365.13937	44.9
366.14227	4.2
369.13498	23.9
381.16925	13.7
383.14951	13.9
385.16528	12.7
399.14322	7.5
399.18570	32.3
400.18085	2.9
403.15652	4.7
413.19824	2.5
423.21973	16.6
425.16043	2.8
427.21304	13.9
461.23529	3.8
467.20520	3.6
507.16595	2.6
515.20459	2.4
547.20270	2.8
559.19598	9.7
565.24457	21.7
566.23993	3.1
573.28796	2.6
577.20233	3.2
617.27533	100.0
618.27753	15.7
635.29901	57.0
636.30768	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	635.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75502	0.7
65.87595	0.8
67.08143	0.6
83.10622	0.7
87.04508	0.8
98.22582	1.4
109.06606	2.1
111.04508	2.1
113.09723	3.6
122.53993	0.8
125.06149	0.7
130.24179	0.8
151.07628	1.1
152.01181	1.0
152.99652	1.1
180.68988	0.8
181.08720	19.6
182.09090	1.0
194.05595	0.9
195.06612	5.7
207.06662	1.7
221.08203	5.2
222.44519	0.9
243.03078	1.0
255.23329	1.8
263.12820	1.3
297.07724	1.4
314.07965	4.8
315.08554	1.4
328.09531	5.3
338.07983	0.9
341.06671	2.3
355.26538	5.3
356.09085	1.8
381.13574	3.9
385.12973	7.2
395.11740	0.9
398.23923	1.2
399.14511	100.0
399.25378	27.6
400.14792	11.7
400.25766	2.5
433.11121	0.8
435.17615	0.9
449.55579	0.7
453.19189	26.4
453.30026	2.7
454.19781	2.4
635.28656	7.1
635.39496	10.9
636.29132	1.8
636.39301	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
69.02724	2.8
71.24236	0.5
75.58775	0.3
76.86623	0.4
80.35162	0.3
98.88401	0.4
105.03449	0.4
117.03464	1.3
119.05053	0.9
132.02187	1.5
133.02972	23.4
134.03830	2.6
135.03516	0.4
135.04543	6.4
137.02437	1.8
139.03996	0.5
145.02974	5.7
161.02457	63.4
162.02782	2.4
170.64705	0.4
178.02771	0.9
179.03497	1.5
194.92979	0.5
391.55408	0.4
455.32230	0.5
458.65546	0.5
560.91882	0.4
591.36938	2.1
635.35938	100.0
636.36298	20.3
653.03381	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.6
58.00602	0.7
66.41338	0.4
73.02953	3.9
77.10468	0.3
90.91144	0.4
96.52996	0.4
98.21720	0.7
117.03477	22.2
118.03803	1.1
119.05039	10.1
121.02986	1.5
123.04492	0.5
133.02954	4.7
134.03796	0.5
135.04538	1.0
139.04021	1.7
145.02965	93.0
146.03323	4.0
161.02457	12.1
162.03009	1.1
163.04062	3.2
181.08745	0.4
223.09715	1.4
427.32355	0.4
455.31729	0.4
471.31064	1.7
489.31686	0.5
515.30310	0.4
515.48749	0.4
531.78455	0.7
575.36945	0.4
591.36847	5.1
592.36859	1.0
635.35858	100.0
636.36157	21.3
636.49109	0.7
646.07416	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	1.7
71.24254	0.5
96.95950	0.4
98.21792	0.8
99.92607	0.5
105.03423	0.4
108.02196	0.5
109.03039	0.5
117.03478	0.5
121.02982	0.6
124.92081	0.4
132.02219	0.9
133.02969	23.2
134.03775	2.5
135.04539	6.8
137.02435	2.5
139.04001	0.8
145.02951	1.5
161.02458	72.4
162.02795	2.9
178.02718	1.0
179.03526	1.5
183.84938	0.4
233.39095	0.4
248.67110	0.4
427.47916	0.5
499.30829	0.8
591.36646	0.6
635.35925	100.0
636.36261	18.5
653.03015	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43057	0.8
61.98837	8.3
67.10755	0.8
69.18818	4.4
71.02836	0.7
74.01752	0.8
96.96021	3.0
101.01410	0.8
116.92889	1.6
117.03447	1.7
121.02995	1.3
126.77129	0.9
132.02142	1.2
133.02971	23.0
134.03802	4.0
135.04555	6.8
137.02458	3.3
145.02977	3.8
161.02458	48.5
162.02786	2.9
168.01567	0.8
177.01836	1.0
179.03546	1.9
426.51129	0.8
591.37091	1.1
599.33215	1.4
617.34680	2.2
635.35974	100.0
636.36462	17.5
638.10284	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3593
Annotation	3-O-vanillyceanothic acid
Peak:m/z	Relative Intensity
56.45624	0.3
61.98820	0.8
66.14110	0.3
69.65362	1.9
71.24258	0.4
73.02934	0.9
75.86282	0.3
84.29491	0.3
85.91443	0.4
98.22465	0.4
117.03419	1.5
121.02939	1.4
125.56094	0.4
132.02161	0.7
133.02965	19.0
134.03767	4.6
135.04549	6.5
136.33862	0.4
137.02438	4.0
139.03998	1.4
145.02957	2.7
150.03249	0.5
161.02458	44.8
162.02750	1.8
163.03987	0.7
178.02652	0.7
179.03500	2.9
200.96321	0.4
383.22565	0.4
455.31577	0.4
589.35016	0.5
591.36896	11.5
592.37256	2.9
617.34546	1.1
635.35858	100.0
636.36224	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	635.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10820	0.2
56.85496	0.2
58.56021	0.2
59.01366	0.5
61.98833	1.4
71.24262	0.3
71.28105	0.3
72.12152	0.2
72.78696	0.2
83.13692	0.2
85.02970	0.3
95.05023	0.3
96.96027	0.6
99.92593	0.3
105.03459	0.3
108.02158	0.4
109.02961	0.4
113.02424	0.2
113.09708	0.2
117.03513	1.6
119.05018	1.0
121.02953	1.9
125.02480	0.3
129.72070	0.3
132.02180	1.3
133.02969	25.0
134.03873	1.9
135.04538	3.9
137.02480	1.6
138.87447	0.3
139.03989	1.4
145.02974	3.7
148.05252	0.3
149.02451	0.4
151.03920	0.3
161.02457	67.2
162.02794	2.7
162.83911	0.6
163.04002	1.4
164.83647	0.5
165.09204	0.4
178.02724	0.8
179.03510	1.6
181.08748	0.4
195.52371	0.2
209.08202	3.4
233.08218	0.9
248.10414	1.3
263.12921	1.1
296.06366	0.3
371.13702	1.3
401.23666	0.3
473.32404	0.3
553.31421	0.5
573.35950	0.3
589.34985	0.5
591.36926	3.7
592.37360	0.9
617.34338	0.8
635.35925	100.0
636.36218	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43057	0.8
61.98837	8.3
67.10755	0.8
69.18818	4.4
71.02836	0.7
74.01752	0.8
96.96021	3.0
101.01410	0.8
116.92889	1.6
117.03447	1.7
121.02995	1.3
126.77129	0.9
132.02142	1.2
133.02971	23.0
134.03802	4.0
135.04555	6.8
137.02458	3.3
145.02977	3.8
161.02458	48.5
162.02786	2.9
168.01567	0.8
177.01836	1.0
179.03546	1.9
426.51129	0.8
591.37091	1.1
599.33215	1.4
617.34680	2.2
635.35974	100.0
636.36462	17.5
638.10284	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3821
Annotation	Eupteleasaponin VIII
Peak:m/z	Relative Intensity
57.03447	1.2
58.00610	1.2
59.01383	1.6
61.98802	0.3
65.37218	0.1
66.84879	0.2
71.01382	1.7
71.27965	0.2
73.02950	9.3
83.01366	0.1
83.05032	0.1
85.02962	1.2
89.02451	0.5
91.64148	0.1
97.02917	0.1
97.06635	0.2
99.04528	0.5
101.02460	0.6
101.95923	0.2
107.05073	0.3
113.02460	0.5
117.03435	0.2
118.85461	0.1
119.03493	0.2
123.00842	0.2
124.01656	0.3
125.02454	0.6
139.03978	0.2
145.02921	0.7
161.09735	0.4
169.01437	0.2
185.09782	0.1
187.11295	0.3
189.09227	0.3
205.12363	0.2
207.10315	0.2
217.96310	0.1
249.11188	0.2
253.04543	0.2
269.04541	0.2
271.05063	0.2
298.04416	0.4
299.04504	0.3
312.06390	0.5
313.06702	0.6
314.07050	0.6
327.08746	0.6
328.09225	0.7
329.09210	0.7
351.21796	1.1
355.25009	0.2
357.26474	0.3
373.25851	0.2
391.30042	0.8
397.31003	0.9
399.32877	1.2
411.32883	0.4
426.55295	0.2
427.31989	0.2
429.33856	1.7
473.32721	100.0
474.33081	13.7
487.34445	0.7
515.34082	0.7
635.29828	1.5
635.37531	2.8
636.29431	0.4
636.39136	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81121	0.7
57.32930	0.8
61.98835	1.6
62.25067	0.9
78.69904	0.8
84.18543	0.8
90.19386	0.9
98.21703	1.4
117.03487	16.5
118.03805	1.2
119.05003	7.5
121.02959	6.6
133.02966	2.3
135.04543	1.9
137.02489	1.8
145.02969	56.1
146.03320	2.6
161.02495	3.5
163.04059	3.7
165.01952	1.8
180.04285	0.9
305.13745	0.8
410.07370	1.1
469.33417	1.6
471.34973	3.3
511.02606	0.8
553.35620	1.1
573.39661	3.7
574.39929	1.0
617.38770	5.4
635.39545	100.0
636.39960	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	635.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26237	0.4
57.03408	0.5
61.98817	2.0
66.41463	0.6
68.21743	0.4
70.18546	0.9
70.18925	1.2
82.75642	0.4
92.71838	0.4
93.53629	0.4
96.95993	0.4
99.04585	0.5
99.62907	0.5
116.92910	1.0
117.03474	26.4
118.03781	0.5
119.04266	0.8
119.05040	9.1
121.02980	2.8
123.04542	0.4
133.02989	2.3
134.03711	0.5
135.00909	0.5
135.04530	1.0
137.02432	0.9
140.78328	0.4
145.02963	80.6
146.03235	2.1
161.02458	5.4
162.03223	0.8
163.04010	3.3
163.57954	0.4
165.01967	0.6
168.26260	0.5
181.08722	0.5
209.08150	0.5
307.19052	0.6
311.12836	0.5
471.35455	1.1
515.34412	0.6
531.76794	0.6
575.37457	1.2
577.26959	0.7
591.38348	1.7
635.39630	100.0
636.40021	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	635.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01400	1.1
61.98846	2.7
69.18100	6.4
73.42633	0.8
76.65115	0.9
96.71466	0.9
96.96038	1.5
98.22591	1.3
100.94015	0.7
116.92882	1.4
117.03481	13.8
117.16946	0.8
119.05078	3.7
119.88945	0.7
121.02971	4.9
132.02155	1.1
133.02959	19.9
133.03882	1.1
134.03783	3.0
135.04567	5.3
137.02498	3.7
139.04051	1.7
145.02962	39.3
146.03360	3.0
149.02534	1.3
154.46764	0.8
156.31863	0.8
161.02455	49.2
162.02864	2.3
162.84114	0.9
163.04074	3.0
164.83672	0.9
178.02727	2.0
179.03606	2.4
182.62643	0.8
251.05699	1.5
260.08612	0.9
294.08109	0.9
294.93500	0.9
301.14764	1.5
307.72238	0.8
416.61063	0.8
533.30090	1.4
545.29443	1.1
547.30927	2.0
553.32782	1.1
557.33118	2.8
591.37787	1.1
603.33441	1.5
605.39258	1.4
617.34668	5.1
635.38733	100.0
636.39093	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90708	0.5
64.91990	0.5
69.17439	3.6
72.89909	0.5
77.79237	0.5
112.34088	0.7
117.03474	27.7
118.03802	1.0
119.05049	5.9
121.02962	1.9
123.04513	0.7
133.02995	0.8
145.02966	89.0
146.03284	4.9
161.02434	0.9
163.04021	1.4
306.74155	0.7
337.90189	0.6
370.08649	0.6
471.35013	2.4
498.22342	0.6
515.33459	0.8
591.40613	0.8
617.36615	0.9
635.39551	100.0
636.39899	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16940	0.4
58.00629	0.3
60.60336	0.3
66.41472	0.6
66.80872	0.4
68.89417	0.4
71.38113	0.4
98.22567	0.7
101.31404	0.4
113.78667	0.3
116.92934	0.4
117.03474	33.5
118.03811	0.9
119.05033	8.4
120.96488	0.4
121.02939	2.2
123.04559	0.5
133.02953	1.7
134.03789	0.5
139.03995	0.8
145.02963	99.6
146.03329	4.2
161.02415	2.6
162.03281	0.4
163.03999	1.6
204.07019	0.4
223.09761	1.1
229.21452	0.4
282.92938	0.4
288.68689	0.4
425.34497	0.9
453.21103	0.4
471.34814	1.1
515.34015	0.7
591.39343	0.6
635.39594	100.0
636.39954	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	635.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20118	0.7
59.01360	0.9
61.98824	1.1
72.81882	0.7
75.00885	1.2
81.28169	0.7
93.03435	1.4
95.05034	0.8
107.05012	0.8
108.02209	0.8
111.04522	1.5
117.03482	14.9
119.05042	29.4
120.05366	1.0
121.02965	67.3
122.03326	2.0
123.04502	1.4
125.02399	0.8
125.06080	0.9
132.02205	0.7
133.02956	6.3
134.03708	1.5
135.04550	6.4
137.02461	1.3
145.02965	67.3
146.03308	2.3
147.04503	1.1
161.02452	11.2
162.03070	1.0
163.03999	7.1
163.81934	0.7
165.09207	1.5
179.07114	1.7
179.10776	1.6
181.05064	4.9
205.12482	1.0
209.08284	7.8
209.11803	1.6
219.13899	2.5
223.09795	2.2
225.25229	0.7
249.11392	7.3
250.11664	0.9
263.12903	19.4
264.13220	1.6
277.14542	3.0
292.93433	0.7
307.19150	1.5
309.20667	2.0
311.22238	0.9
327.21808	1.2
411.16757	1.6
425.18066	4.1
453.33810	8.2
471.34860	6.2
497.32736	17.4
498.33047	2.4
553.35229	1.4
591.39874	0.9
617.38470	100.0
618.38885	17.6
635.27484	4.0
635.39520	69.5
636.30078	1.4
636.39886	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	635.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00834	0.5
61.98827	4.0
66.92609	0.5
71.28417	0.6
96.95982	0.6
103.04313	0.4
108.02203	1.0
113.65941	0.5
116.92895	0.8
117.03474	16.0
117.04288	0.8
118.03863	0.8
119.05043	3.7
121.03000	1.4
123.04560	0.9
125.02551	0.7
133.02974	3.0
135.04576	1.1
137.02469	0.9
145.02963	56.3
146.03363	1.9
147.04593	1.1
151.04013	0.6
161.02454	7.6
163.04079	1.7
179.03598	0.6
181.08739	0.9
209.08272	0.7
223.09842	0.6
278.54312	0.5
347.47299	0.5
469.58398	0.5
485.32739	0.9
487.34021	0.6
591.41290	2.6
635.22656	3.9
635.39709	100.0
636.23712	1.1
636.39996	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	635.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50695	0.4
57.23740	0.3
58.81502	0.4
59.01378	0.4
61.98824	1.8
63.78556	0.4
66.41443	0.6
69.35233	2.7
69.73398	0.4
71.01349	0.6
87.96191	0.4
89.30615	0.4
97.72192	0.4
103.55757	0.4
109.02968	0.5
116.92989	0.5
117.03477	16.0
117.04304	1.0
118.03743	0.5
119.05049	2.9
121.02976	1.5
123.04504	0.5
133.02960	1.5
135.04492	0.5
137.02408	0.5
145.02965	55.0
146.03308	1.9
147.04543	0.9
161.02469	3.0
162.83968	0.7
163.04031	1.6
181.08766	0.9
209.08206	0.6
313.59787	0.5
349.10831	1.0
591.40570	1.8
592.40533	0.6
635.22711	4.7
635.39612	100.0
636.22864	1.0
636.39978	19.1
639.40417	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.9
60.10518	0.4
60.65195	0.4
61.00332	0.4
65.00301	0.7
78.95890	0.7
81.03429	1.7
83.01381	1.0
85.06575	1.0
87.04482	1.3
88.55601	0.4
92.76679	0.5
95.01387	0.7
98.22611	0.9
109.06594	7.3
111.04525	5.2
113.09731	3.6
124.01662	2.4
125.02461	6.8
127.07619	0.5
133.06548	0.6
150.06828	0.6
151.00372	0.7
151.07657	14.8
151.99989	0.8
152.01152	9.1
153.05536	1.4
163.11276	0.6
166.06302	0.7
169.05983	0.4
177.05533	0.6
179.07095	0.5
181.08710	25.0
182.09010	1.4
193.05009	0.6
194.05832	7.8
195.06633	42.1
196.06882	1.2
205.05072	0.7
205.08653	1.0
207.10216	1.2
231.10246	0.9
233.08197	6.6
249.11235	2.3
269.19073	0.5
285.22168	1.6
308.77802	0.4
310.67859	0.5
313.25458	1.1
329.21252	1.9
343.15472	1.0
355.26428	17.8
356.26715	1.8
387.14410	5.4
399.25415	100.0
400.25739	11.1
416.57263	0.5
453.30127	8.1
454.30319	1.0
576.01752	0.5
635.39581	36.3
636.39984	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	635.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33266	0.4
56.38583	0.4
57.02002	0.5
61.98814	0.6
62.45076	0.4
66.41442	0.8
67.58907	0.4
69.46172	2.3
78.36294	0.4
84.36008	0.4
117.03474	25.0
118.03809	0.8
119.05035	5.3
121.02961	0.9
123.04490	0.6
129.24983	0.4
132.83171	0.4
133.02962	1.1
145.02963	83.4
146.03320	2.9
161.02478	1.0
162.03230	0.7
163.04016	1.7
177.02051	0.5
310.08527	0.6
325.10883	1.7
345.28381	0.5
471.34598	0.7
515.33887	0.6
531.76831	0.6
619.36584	0.9
635.39575	100.0
636.39923	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	635.3963
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.0
68.57024	0.9
68.76350	0.8
69.40266	1.8
69.40675	3.1
93.03472	1.0
96.96022	2.2
105.03461	0.9
117.03526	1.7
121.02975	3.2
123.04538	3.6
124.01602	0.9
133.02977	21.3
134.03761	10.1
135.00899	1.1
135.04543	9.1
136.04851	1.1
137.02460	17.4
139.04062	3.0
145.03009	4.0
146.03337	1.9
149.02490	1.9
149.06068	1.2
150.03194	1.4
151.04073	1.0
161.02460	40.8
162.02809	5.6
163.03029	1.1
167.07204	0.8
177.01981	2.2
178.02780	7.8
179.03534	6.2
225.51790	0.9
287.12958	1.1
301.14603	3.0
315.15994	1.8
353.17590	9.7
353.21133	1.0
355.19250	6.4
357.19034	0.9
368.19998	2.5
369.20706	26.0
370.21237	2.2
397.20444	1.3
400.19070	2.9
402.20642	3.4
483.55020	0.8
487.83984	0.9
547.37872	1.3
557.39209	4.3
573.39099	1.1
587.37909	3.1
591.40039	4.9
601.38831	2.5
603.37103	3.3
617.38495	7.9
618.38879	3.0
635.39447	100.0
636.39832	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	635.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90429	0.7
62.22863	0.6
63.84014	0.6
65.79720	0.7
72.45267	0.6
81.57720	0.6
90.72755	0.6
98.22533	2.0
99.22105	0.7
111.04494	0.7
116.10155	0.6
117.03480	20.0
119.05034	31.5
119.93325	0.6
120.05351	1.1
121.02964	77.4
122.03304	2.7
123.04560	1.1
133.02951	2.2
134.03755	1.3
135.04555	2.2
139.24150	0.7
145.02962	86.0
146.03343	2.1
161.02496	4.5
162.02937	1.3
163.03996	6.3
165.09184	0.8
181.05078	1.7
193.95695	0.6
209.08347	1.5
221.02309	0.7
263.12955	3.1
271.09738	1.9
311.30911	0.8
425.18423	0.9
453.33765	6.3
471.34769	2.2
497.32748	18.7
498.33093	2.9
617.38470	100.0
618.38788	17.9
618.48810	0.7
635.39386	25.6
636.40167	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	635.4163
Annotation	Ginsenoside Rh7
Peak:m/z	Relative Intensity
54.62573	0.7
55.17485	0.7
56.26555	0.7
59.01297	5.1
61.55341	0.9
69.90287	3.0
71.01291	6.7
71.01714	0.9
89.02347	10.0
93.03338	0.9
95.21936	0.7
96.18179	0.7
100.20935	0.7
101.02341	2.9
113.02380	1.6
119.03411	2.0
121.02890	1.6
131.03394	1.0
133.02925	4.9
134.03386	0.7
135.04448	1.7
137.02306	3.0
156.97658	0.8
161.02457	9.6
161.04462	1.3
174.08444	0.7
177.01852	1.7
178.02640	1.5
178.98169	0.8
179.03499	0.9
179.05470	5.6
258.46762	0.8
369.20633	1.4
455.35355	100.0
456.35687	13.5
591.40491	1.0
635.39288	26.5
636.39880	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	636.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02975	13.0
58.64015	1.2
58.89880	0.9
65.44450	1.1
70.02966	4.8
70.03304	1.0
72.00900	4.3
78.03981	1.2
81.03465	1.3
91.05515	3.6
96.96007	6.9
98.21705	1.4
99.82365	1.2
103.65765	1.0
107.01403	2.5
123.00857	2.0
125.02464	26.1
126.02797	7.5
127.02902	1.2
135.73213	1.1
137.02448	2.4
139.03975	2.5
140.01025	1.1
147.04535	18.3
151.00368	1.9
151.04056	1.2
151.10190	1.1
164.07176	56.3
165.01862	1.2
165.05521	1.1
165.07527	2.8
168.00595	2.8
168.69278	1.4
169.01431	32.2
169.05099	2.4
170.01768	11.3
170.05365	1.3
206.08231	100.0
207.08583	3.9
211.02461	4.4
221.04651	1.2
229.49416	1.3
250.07195	1.3
271.04648	1.9
313.05630	2.9
314.06015	3.2
332.07285	1.3
352.17447	1.1
371.93289	1.3
424.06110	2.1
440.09232	2.4
465.06760	1.9
466.07062	4.7
483.07611	2.1
484.07407	5.1
592.10449	2.0
636.09235	23.5
637.09277	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	636.3762
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06960	0.6
55.48271	0.6
59.01377	7.4
60.59785	0.6
61.98829	2.7
71.01380	3.8
71.28180	0.9
73.02956	0.7
84.00927	1.1
85.02971	1.5
89.02450	2.5
91.09000	0.6
92.28469	0.7
101.02458	2.1
113.02473	1.2
116.92883	1.1
119.03544	1.5
123.00902	0.8
123.04503	0.7
124.01693	1.4
125.02486	1.0
135.04550	1.2
139.04010	0.9
147.72581	0.6
169.01431	0.8
179.07120	0.8
182.17390	0.7
191.32808	0.6
204.05055	0.6
223.02396	0.6
279.92926	0.6
296.09610	1.0
313.14352	1.0
342.07037	0.7
353.23355	1.5
357.26566	2.2
359.17673	0.7
385.31216	1.7
387.16632	2.0
406.68326	0.7
431.31686	100.0
432.32013	13.3
466.94894	0.7
593.36920	1.0
636.37878	6.4
637.39191	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77421	1.0
51.91078	1.0
59.01385	1.2
61.98843	2.3
66.72025	1.0
69.02511	8.8
77.34937	1.2
84.24990	1.0
96.96011	2.4
98.22561	1.7
100.35224	1.0
104.10627	1.0
109.03004	1.5
116.92908	1.9
117.03465	5.3
117.77102	1.2
119.05060	3.2
125.02466	3.1
145.02975	12.6
203.28088	1.1
243.06645	2.2
257.00955	1.1
269.98099	19.8
270.98837	35.6
271.99088	1.4
276.40561	1.4
283.99783	1.8
285.00424	14.1
286.01105	4.2
297.97549	35.3
298.98337	63.4
299.98807	6.7
312.99918	59.1
314.00702	99.6
315.01218	4.6
328.02234	15.6
329.03040	100.0
330.03387	7.1
363.79486	1.2
485.12573	3.9
525.15527	1.3
585.23669	1.3
622.09711	1.5
637.12006	75.5
637.44226	3.3
637.94952	1.8
638.12408	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	637.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.3
59.91133	0.2
71.28244	0.3
76.47942	0.2
79.95730	2.9
91.75200	0.2
92.93546	0.3
96.96021	100.0
97.95969	0.3
109.02961	0.3
114.93449	0.3
116.92889	0.4
119.46809	0.3
123.04531	0.3
125.02474	2.0
137.02472	0.5
151.03981	0.3
158.93922	0.4
161.02477	0.3
167.03485	0.5
169.01395	0.8
222.90349	0.2
289.07495	0.3
300.99869	0.3
305.07068	0.7
326.60107	0.2
329.03198	0.3
387.16599	0.4
497.70697	0.3
506.51828	0.3
539.17560	1.4
543.34192	0.2
577.12537	1.4
637.13574	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.7
59.01386	1.7
67.01894	3.8
69.27874	1.6
69.28284	0.8
71.01378	1.0
72.99297	0.3
76.32478	0.3
84.64445	0.3
85.02957	12.8
87.00882	20.8
89.02452	1.0
96.96001	1.0
98.22484	0.7
101.02483	0.8
111.00892	100.0
112.01219	2.2
113.02473	0.4
119.03610	0.4
123.04494	0.4
125.02482	0.8
129.00987	0.4
129.01958	8.0
130.99921	0.6
135.55092	0.3
137.02454	0.4
154.99866	0.4
161.04550	0.4
164.04837	0.3
169.01433	0.7
173.00928	8.1
174.01233	0.3
179.05646	0.4
191.02003	46.3
192.02283	1.6
257.13712	0.4
268.07504	1.2
283.09940	0.5
284.03210	1.9
285.03995	2.2
299.05725	0.4
313.03409	0.4
327.05154	2.0
328.05829	1.3
472.94803	0.4
475.12473	2.1
577.28705	0.7
602.76111	0.4
637.17749	10.2
637.36505	0.4
638.18188	1.1
640.97272	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18117	0.3
55.25708	0.4
57.03449	2.8
59.01381	4.3
61.98830	0.7
67.01880	3.8
71.01372	1.6
73.14406	0.4
76.59551	0.3
85.02957	12.1
87.00881	19.8
88.01265	0.4
88.98832	0.3
89.02479	2.5
96.96025	2.8
98.21785	0.8
101.02466	1.6
107.96788	0.3
109.02943	0.5
111.00888	100.0
112.01218	2.1
113.02446	1.0
119.03540	1.1
123.00826	0.4
125.02432	1.6
129.01949	7.1
130.99898	0.6
137.02455	0.7
151.04057	0.5
153.01947	0.5
154.99873	0.6
161.04622	0.7
168.00603	0.4
169.01466	2.2
169.06581	0.4
173.00943	7.4
179.05627	1.5
180.00684	0.7
191.01985	42.0
192.02348	1.2
194.05646	0.4
240.04170	0.4
255.03064	0.6
256.03784	1.1
268.07300	0.7
271.06104	0.5
283.06506	0.5
283.09866	0.5
284.03265	9.2
285.04041	11.4
299.05667	2.1
312.02786	0.7
313.03488	1.1
325.31378	0.4
327.01257	0.7
327.05072	9.4
328.05862	6.0
329.06604	1.2
341.13922	0.4
475.06241	0.6
475.12482	6.7
476.12735	0.8
485.19525	0.8
491.12115	0.7
547.14563	0.5
577.29132	0.8
589.80676	0.4
637.17657	21.6
638.18506	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	637.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.7
59.01386	1.7
67.01894	3.8
69.27874	1.6
69.28284	0.8
71.01378	1.0
72.99297	0.3
76.32478	0.3
84.64445	0.3
85.02957	12.8
87.00882	20.8
89.02452	1.0
96.96001	1.0
98.22484	0.7
101.02483	0.8
111.00892	100.0
112.01219	2.2
113.02473	0.4
119.03610	0.4
123.04494	0.4
125.02482	0.8
129.00987	0.4
129.01958	8.0
130.99921	0.6
135.55092	0.3
137.02454	0.4
154.99866	0.4
161.04550	0.4
164.04837	0.3
169.01433	0.7
173.00928	8.1
174.01233	0.3
179.05646	0.4
191.02003	46.3
192.02283	1.6
257.13712	0.4
268.07504	1.2
283.09940	0.5
284.03210	1.9
285.03995	2.2
299.05725	0.4
313.03409	0.4
327.05154	2.0
328.05829	1.3
472.94803	0.4
475.12473	2.1
577.28705	0.7
602.76111	0.4
637.17749	10.2
637.36505	0.4
638.18188	1.1
640.97272	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41283	0.4
59.01384	2.6
63.88328	0.4
66.11160	0.4
67.01892	1.1
69.03447	1.1
69.10976	3.5
71.01377	2.3
72.99317	0.6
73.02974	0.6
79.01871	0.8
81.03455	0.6
83.01377	0.5
85.02943	1.3
87.00867	1.9
89.02449	1.0
95.01407	1.6
96.20419	0.4
96.96012	0.9
97.02959	0.9
99.00883	0.8
101.02455	2.1
107.01405	7.8
109.02963	0.7
111.00886	16.4
112.98827	0.5
113.02457	1.5
123.00883	9.0
124.01658	1.5
125.02457	32.0
126.02760	0.7
127.00335	0.4
136.98825	1.3
137.02467	0.7
139.00378	4.1
140.01163	3.3
141.01894	1.3
144.38287	0.4
151.00377	7.1
161.02477	0.5
161.04608	0.4
163.04062	0.7
167.71289	0.4
168.00656	5.9
169.01433	38.7
170.01761	1.2
173.00929	1.3
177.05602	0.4
179.03491	0.7
179.05534	0.5
191.80978	0.4
193.01326	0.5
209.08125	0.5
211.02480	2.8
253.03618	0.9
271.04611	1.2
299.01892	1.0
306.07944	0.4
313.05759	2.6
314.04352	1.9
329.06750	2.9
467.19336	1.6
485.20291	36.5
486.20480	4.2
488.75034	0.5
523.14264	1.1
637.21387	100.0
638.21747	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	637.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	3.2
61.98837	8.5
71.05024	12.0
85.06593	44.0
95.05053	3.4
111.04530	18.5
123.08167	7.0
125.02418	7.1
125.06145	3.3
133.06657	4.2
139.04037	5.4
141.09229	69.9
154.94171	3.1
177.05539	5.1
179.07153	12.0
181.08636	32.4
183.06602	6.6
185.08159	5.3
193.08737	4.7
195.06627	37.9
203.07132	4.6
205.05045	13.0
207.06601	4.7
209.08231	17.6
221.08179	25.1
223.06131	59.8
224.06537	5.2
245.08194	3.4
247.13361	27.6
261.07657	6.3
270.05374	3.4
284.07114	3.9
285.07672	10.1
287.40924	3.7
331.08231	14.0
339.12582	3.6
343.15552	7.0
355.11874	92.8
369.13428	5.9
381.09766	63.6
382.10272	7.7
383.11438	10.3
394.10440	17.4
401.11957	24.1
401.16751	7.7
409.13177	5.6
411.14423	4.9
413.19656	65.3
415.21240	88.2
416.22092	6.4
422.33023	4.0
423.14407	9.2
439.17862	52.3
440.18155	4.5
441.19327	6.9
452.18237	4.1
455.35153	4.7
456.35696	6.5
457.18701	70.5
458.18942	10.6
465.18845	4.5
469.18829	20.4
481.22504	6.4
489.18994	6.1
491.20352	7.6
497.21643	7.5
505.22260	8.6
517.18719	26.6
533.18439	5.6
543.17169	4.1
548.21039	4.4
549.28632	9.8
575.26544	57.4
576.26923	3.9
577.85974	3.7
591.26331	3.9
593.27655	33.9
594.27704	9.2
619.25488	100.0
620.26013	12.0
637.22992	8.7
637.29474	12.1
637.41846	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	637.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98854	2.9
67.60387	2.2
71.05022	3.1
71.28592	3.5
76.00926	2.7
78.95908	7.9
83.10603	2.6
85.02951	19.8
85.06619	3.3
87.04542	3.1
87.21161	2.4
95.05025	3.7
97.61079	2.0
109.02976	6.7
109.06630	4.5
111.00935	2.7
111.04540	22.5
113.09736	6.4
123.08168	8.8
125.02467	6.9
125.06085	9.0
126.34491	2.3
126.98380	2.2
139.04027	6.5
140.22395	2.4
141.09264	4.2
149.63109	3.0
150.89197	2.5
151.07671	3.2
152.99672	3.5
153.05606	3.0
155.07133	3.4
164.19012	2.4
165.09279	9.5
167.07121	3.9
169.08743	9.8
177.05588	9.6
179.07149	12.1
179.10802	5.4
181.05176	3.3
181.08708	34.9
183.06664	4.2
193.08772	5.4
195.06631	73.6
197.08223	6.2
205.05083	13.8
205.06776	2.4
205.08734	9.1
207.06601	4.7
207.10294	9.8
209.08224	27.2
219.06586	6.2
221.08208	6.8
223.06129	100.0
223.09497	18.6
224.06467	3.4
225.07741	3.3
231.10214	5.5
233.08202	21.8
247.06145	7.9
247.13417	3.6
255.23305	6.7
261.07721	7.9
271.10178	2.7
275.09085	2.8
277.14563	2.9
285.07785	5.6
311.05643	2.8
313.10834	7.2
315.08826	4.5
337.10773	5.2
339.12476	6.1
343.15451	5.4
355.11847	78.6
356.12448	4.6
357.13394	3.7
357.17126	3.3
369.13419	6.8
383.11353	4.1
386.10043	6.9
387.14471	8.8
397.71722	2.6
401.12180	18.5
401.16422	41.6
401.20313	2.1
411.14487	13.7
413.14417	3.7
413.19724	73.8
414.19937	5.1
415.21246	4.2
427.13925	6.3
440.15195	2.8
453.15414	3.3
453.75696	2.7
455.16226	4.2
455.21457	4.7
463.17599	3.6
467.20798	5.6
469.18878	14.6
481.18039	2.7
531.37616	2.5
549.29144	3.3
575.26447	9.7
593.27484	10.4
619.24231	9.0
637.21863	35.7
637.31946	9.9
638.23285	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	637.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35054	0.3
57.03459	0.5
59.01383	7.6
61.98832	3.2
64.40991	0.3
65.38573	0.3
71.01391	5.9
71.27730	0.3
72.99333	0.7
73.02949	0.8
78.09961	0.3
79.05535	7.4
79.94698	0.3
80.02710	0.7
81.03460	4.5
83.01383	0.7
83.05042	1.9
85.02962	1.2
85.06556	0.5
87.00885	0.9
87.04520	0.7
89.02460	5.3
93.03471	1.2
95.01381	0.6
95.05049	0.9
96.96056	0.5
101.02457	3.4
105.03465	0.5
109.02959	0.5
109.06665	0.5
109.31996	0.3
110.87668	0.4
111.04559	0.5
113.02456	2.2
116.92892	0.6
119.03533	2.2
122.03756	0.5
123.04536	56.5
124.01698	0.5
124.04848	1.6
125.02467	1.2
125.06106	0.5
125.09729	5.8
135.04520	0.6
135.08165	0.6
137.02469	1.6
139.04056	0.7
149.02432	0.8
149.09729	23.7
150.10078	0.7
151.00447	0.4
151.03989	0.5
151.07654	0.8
161.04568	0.8
163.11301	2.3
164.04909	0.6
165.09213	2.8
165.12856	1.0
167.03520	1.2
169.01405	0.7
171.10266	0.5
177.09222	1.9
179.03477	0.6
179.05765	0.6
179.07185	0.5
181.12346	0.5
193.08708	100.0
194.09027	5.1
203.14377	1.2
207.10248	0.8
209.11845	53.7
210.12190	2.5
237.07767	0.4
247.13385	6.8
248.13698	0.6
253.09280	1.6
339.23264	0.4
345.15543	10.7
346.15958	1.1
353.23318	1.2
383.22165	1.0
401.23370	3.2
419.24271	1.7
593.29535	1.2
619.30927	0.7
637.28656	39.0
637.38666	1.9
638.29028	5.4
638.39551	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32504	0.5
56.22192	0.5
56.52164	0.5
61.52934	0.6
64.68871	0.6
64.78816	0.6
64.89600	0.6
65.70618	0.5
69.37105	2.7
109.06587	1.2
111.04500	3.4
113.09719	4.5
123.08154	1.3
125.06084	1.3
138.03224	2.4
139.03993	1.5
165.01912	2.2
165.05624	0.8
165.09184	2.7
166.02731	14.3
167.07153	0.8
179.07106	0.9
181.08728	31.5
182.09053	0.9
183.06697	0.8
191.07144	1.0
195.06563	1.4
205.08673	1.6
207.06651	3.3
207.10309	1.4
208.07417	42.8
209.08159	15.6
210.08524	0.9
219.06590	2.3
231.10254	1.1
233.08139	3.5
247.09770	13.2
262.12021	1.0
263.12811	1.4
285.08035	0.6
355.12082	0.7
357.17145	1.6
387.14191	0.8
401.16034	100.0
402.16364	9.3
455.20798	16.6
456.20911	1.6
472.27213	0.7
637.30042	2.5
643.24292	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.302
Annotation	Unknow
Peak:m/z	Relative Intensity
71.55524	0.7
74.51492	0.9
87.04509	0.9
90.79110	0.9
95.05032	1.1
98.21814	2.3
100.35579	0.8
109.06607	1.1
111.04533	4.2
112.04876	1.4
112.25554	1.0
113.09743	6.2
116.93034	0.8
123.08135	1.4
125.06077	1.3
132.69823	0.8
137.68423	0.8
138.03218	1.6
139.03992	1.1
149.47197	0.9
165.01955	2.5
165.09224	2.6
166.02704	13.6
166.06163	0.8
167.07144	1.5
179.07213	1.0
181.08716	30.2
182.09036	2.6
183.06561	1.5
205.08673	3.0
207.06558	3.0
207.10313	2.2
208.07417	39.2
209.08192	16.6
210.08406	1.6
219.06677	3.1
221.08029	1.6
229.08519	0.8
231.10181	1.4
233.08194	5.8
247.09775	11.8
259.09714	1.0
260.10162	1.0
263.12845	1.4
288.09595	1.9
298.96423	0.9
315.16208	0.9
357.17001	2.2
401.16064	100.0
402.16495	9.2
455.20691	17.3
456.20981	2.1
598.08282	0.9
637.29572	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	637.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.7
57.03438	0.9
59.01385	13.4
61.98822	2.0
65.03964	2.4
65.51266	0.7
69.03440	2.0
69.37241	0.7
71.01385	10.1
72.99306	1.5
73.02946	2.4
83.01385	1.3
83.05032	2.7
85.02952	3.1
86.00104	0.7
87.00896	3.5
89.02450	6.4
91.05535	2.1
95.01374	0.9
95.05012	2.6
96.96030	2.0
97.02938	0.9
97.06593	2.5
99.00908	1.0
99.08154	0.8
101.02459	7.6
105.07166	0.9
107.05008	0.8
109.06609	1.7
113.02477	5.2
115.05518	2.1
117.07074	0.8
119.03510	1.3
121.02947	0.8
123.08161	1.7
125.02425	0.8
125.09725	10.5
131.05121	0.8
135.08240	0.9
137.02464	1.5
137.11757	0.7
143.72878	0.7
145.02983	1.0
145.05063	1.6
161.02400	1.2
161.04550	1.6
161.09697	0.8
171.10284	1.9
185.11852	2.7
187.09749	0.9
187.15002	4.2
195.06699	0.9
201.12898	1.2
205.12346	1.0
207.10129	0.9
209.11841	10.7
213.12875	5.4
231.13913	13.3
233.11777	1.5
235.08249	2.3
249.15004	2.3
253.09265	1.4
321.22513	0.8
329.24753	0.9
331.19089	0.9
339.23398	3.4
357.24393	1.6
365.21185	2.1
373.23883	2.4
383.22363	14.4
384.22815	1.1
391.25101	1.3
401.23331	16.0
402.23901	1.1
419.24576	4.6
619.31274	100.0
620.31622	16.3
637.15552	1.4
637.31989	18.9
638.32928	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
65.16094	2.2
78.95916	24.5
85.06779	2.4
117.03486	17.9
119.05003	6.3
121.02935	3.5
122.61400	2.6
131.49309	2.2
133.03003	2.8
145.02972	43.8
152.98531	2.6
152.99588	13.7
161.02469	6.8
209.11792	8.1
255.23233	17.7
267.88263	2.4
391.22388	3.3
409.23404	3.6
423.15430	2.3
423.31268	2.2
557.39972	36.5
558.40302	4.7
601.39038	100.0
602.39563	14.0
619.35919	8.7
637.38605	14.7
638.39856	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	637.3758
Annotation	6-Formyl-2,3,3a,4,5,8,9,11a-octahydro-10-(hydroxymethyl)-3-methylene-4-(2-methyl-1-oxobutoxy)-2-oxocyclodeca[b]furan-5-yl ester 9,12,15-octadecatrienoic acid
Peak:m/z	Relative Intensity
57.03450	1.1
59.01374	1.8
60.87630	0.5
61.98825	1.1
69.03441	1.1
69.18183	3.7
71.01379	1.1
76.18449	0.5
79.77841	0.5
84.03477	0.5
86.37284	0.5
89.02467	0.7
91.29448	0.4
93.03455	0.9
96.96033	0.6
98.21707	0.6
101.02395	0.5
108.02206	1.0
109.02953	0.9
117.03480	7.5
119.05038	17.4
120.05392	0.6
121.02966	46.8
122.03282	1.0
123.04533	0.9
132.02138	0.7
133.01952	0.7
133.02962	14.4
134.03719	1.6
135.04565	4.4
137.02483	0.8
139.04033	0.6
145.02966	36.6
146.03296	1.0
149.02490	0.9
161.02452	36.7
162.02928	1.5
163.03964	2.6
179.03516	1.3
181.04973	0.8
195.06677	1.0
209.11880	4.1
211.13348	0.7
235.08260	0.7
261.62048	0.5
271.09778	0.6
309.11389	0.6
321.16852	0.5
323.12799	0.9
339.23441	0.7
357.24374	0.5
373.23856	0.5
383.22223	1.6
401.23267	2.7
411.32611	1.1
455.31686	6.3
473.32620	1.5
499.30609	4.5
500.29868	0.6
515.33612	2.5
575.37604	4.6
576.37817	0.7
591.32648	0.8
593.34979	2.7
607.23444	0.9
619.36505	30.7
619.93616	0.6
620.37024	4.2
637.37183	100.0
638.37366	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	637.375
Annotation	6-Formyl-2,3,3a,4,5,8,9,11a-octahydro-10-(hydroxymethyl)-3-methylene-4-(2-methyl-1-oxobutoxy)-2-oxocyclodeca[b]furan-5-yl ester 9,12,15-octadecatrienoic acid
Peak:m/z	Relative Intensity
50.25026	0.3
59.01375	1.1
61.98817	0.6
71.01402	0.5
71.28380	0.4
71.31808	0.4
74.56167	0.4
81.03404	0.4
96.96024	0.7
109.02955	0.5
111.04546	0.4
115.01880	0.3
116.92802	0.4
117.03457	1.5
119.05015	0.8
121.02967	1.2
123.04514	0.5
130.79622	0.4
132.02156	0.9
133.02965	23.1
134.03816	2.1
135.04535	7.0
137.02451	2.3
139.03990	1.3
145.02972	2.3
149.02443	0.6
149.06181	0.4
160.84190	0.4
161.02454	68.5
162.02843	2.3
163.04048	0.7
164.83572	0.4
173.08199	0.3
175.04082	0.4
178.02643	0.5
179.03511	1.3
209.11960	0.3
217.75470	0.4
223.09813	0.4
239.20053	0.3
244.24002	0.3
271.09695	0.5
291.16562	0.3
296.10233	0.3
297.66022	0.3
311.12802	1.0
401.23248	0.6
455.31836	0.4
501.32324	0.6
542.06439	0.4
619.23419	1.0
637.37524	100.0
638.37878	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	637.374
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92955	1.3
61.98825	1.2
62.94325	1.1
63.15371	1.2
68.59279	1.2
71.30006	1.4
85.00462	1.9
93.03481	2.7
105.03497	1.5
109.02985	3.2
121.02991	2.9
123.04544	1.4
132.02281	1.8
133.02965	31.9
134.03795	14.3
135.04524	12.4
137.02458	22.4
139.03995	7.0
145.02956	2.0
149.02531	2.5
150.03247	2.6
161.02449	78.9
161.06184	1.8
162.02869	3.6
165.01976	2.4
176.01811	1.4
177.01974	3.2
178.02773	9.6
179.03493	9.9
198.52159	1.2
258.16119	1.2
301.14404	2.1
303.84647	1.4
315.16104	1.5
353.17728	4.3
355.19043	6.7
369.20728	27.6
370.21378	3.5
402.20673	2.1
455.35620	1.7
502.46552	1.4
521.33807	1.8
531.27979	4.1
555.28986	1.4
587.37579	15.6
588.38068	3.1
591.41302	1.5
601.36188	4.2
603.36816	32.8
604.37311	6.4
619.39380	2.8
637.40112	100.0
638.40479	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3962
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23474	0.4
54.80198	0.4
54.91457	0.4
57.03440	1.1
57.97493	0.3
59.01374	2.8
61.98786	0.4
64.79743	0.3
69.02837	1.3
69.03249	1.5
69.03519	1.0
69.83065	0.3
71.01382	3.0
85.02961	0.5
89.02452	4.7
95.01398	0.4
97.02959	1.3
101.02426	2.5
109.02970	0.6
113.02466	0.7
117.03499	0.4
119.03506	1.0
121.02973	0.7
123.00865	0.6
123.04507	0.4
128.79828	0.3
128.98303	0.7
131.03491	0.5
133.02951	0.7
135.04538	0.9
145.03006	0.3
156.97722	0.4
161.02484	2.2
175.03961	0.5
179.05614	2.6
181.08722	0.4
271.09766	0.4
311.13062	0.4
325.10840	0.4
336.97943	0.4
343.61285	0.4
413.34189	1.8
432.87888	0.4
451.32138	0.9
457.33252	100.0
458.33597	12.3
549.11560	0.4
549.20764	0.4
593.35120	1.7
619.23944	0.4
637.24805	1.1
637.36926	5.9
638.37518	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
74.92500	0.9
78.95914	7.6
95.43030	0.8
105.40236	0.9
115.92099	2.2
126.20989	0.8
127.30479	0.8
128.12044	0.8
133.02971	16.0
134.03714	2.9
135.04558	5.1
137.02460	2.9
152.99619	3.2
161.02463	38.7
162.02795	1.2
179.03546	1.8
201.11334	0.8
209.11812	1.6
255.23347	4.9
281.41821	0.9
298.18759	0.9
372.17468	0.9
374.42816	1.0
443.59113	0.9
485.06421	0.9
536.33728	1.0
553.26007	3.2
564.98022	1.0
618.39075	1.2
619.37073	2.6
637.41150	100.0
638.41418	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	637.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	0.9
67.01900	0.4
67.65761	0.4
69.35641	1.4
69.36047	1.1
83.01398	0.6
85.27863	0.4
86.10693	0.4
93.03454	0.4
98.21766	0.9
103.01471	0.5
106.04224	0.5
109.02935	1.0
111.00896	0.5
116.92874	0.6
119.93451	0.4
121.02953	1.2
132.02155	0.7
133.02965	17.8
134.03775	6.2
135.04546	7.0
137.02451	8.3
137.03502	0.4
139.04033	2.4
150.03268	0.9
155.27414	0.5
161.02452	56.9
162.02773	2.6
178.02663	2.6
179.03491	3.2
301.14554	0.8
317.20593	0.6
329.67325	0.6
383.22174	1.2
451.29126	0.7
463.28568	9.9
464.29147	1.3
477.30042	9.3
478.30762	1.6
521.32745	16.2
522.33026	1.8
547.34607	0.6
577.35809	1.3
587.37329	1.4
593.38708	0.8
603.40588	2.7
604.38519	1.2
605.38483	71.9
606.38794	11.9
619.40247	0.7
620.40710	1.6
637.41125	100.0
638.41504	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
70.02473	1.1
70.02870	1.2
71.01376	0.8
83.01348	0.7
98.21830	0.6
109.03002	0.9
111.04552	0.6
121.03020	1.0
138.66252	0.5
145.02997	1.2
149.02530	0.7
149.06029	0.7
161.02515	2.0
163.43204	0.5
169.08543	0.5
179.07259	0.5
181.08839	0.6
191.07298	0.6
209.11914	0.7
296.10687	1.2
297.11267	1.1
311.12875	5.2
312.13455	2.1
313.07236	0.5
355.11874	25.7
356.12460	2.0
413.19705	39.4
414.20117	4.2
439.87308	0.7
575.24994	19.7
576.25275	2.7
620.22089	0.5
637.38684	1.0
638.24707	1.3
638.37769	2.7
639.25616	0.7
639.37805	1.2
646.23206	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.0761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99708	4.6
58.99610	7.8
59.01378	11.7
71.01384	17.1
73.02935	5.4
78.82011	4.7
79.95755	4.9
82.95435	12.6
87.00877	17.6
89.02481	10.6
93.03473	7.3
95.06520	4.8
96.96023	100.0
101.02438	5.3
102.98605	51.9
103.02205	6.4
103.51174	4.5
107.01431	5.3
109.02963	5.0
125.02458	64.1
135.98402	5.9
137.02446	12.1
169.01425	76.4
211.02448	14.2
217.01483	5.1
271.04697	6.4
273.00327	17.8
283.04965	48.7
299.15500	4.8
305.03366	6.0
433.07651	8.0
573.14124	7.0
579.13788	13.9
603.10101	50.0
604.10150	8.6
638.30847	10.7
639.08954	10.5
639.32056	60.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1355
Annotation	Quercetin 3-(6''-feruloylgalactoside)
Peak:m/z	Relative Intensity
51.73431	0.5
55.88681	0.6
59.01369	1.9
59.96486	0.5
65.00323	1.7
70.07600	0.6
70.41928	1.3
76.81264	0.7
83.01382	1.6
89.02435	0.9
101.02432	1.3
107.01406	2.8
108.02174	2.0
109.02969	1.5
113.02439	1.2
116.92876	1.5
121.02943	2.2
133.02972	1.4
135.00868	0.8
135.04552	1.0
137.02446	1.0
145.02916	0.7
148.01678	0.7
149.02383	0.7
151.00374	11.2
153.01961	0.9
160.01685	0.8
161.02490	5.1
161.04390	0.6
163.00381	2.1
164.01128	0.9
175.04021	1.4
178.99857	6.3
179.03535	0.9
193.01451	0.7
199.03973	1.3
211.04018	0.9
213.01968	0.6
215.03497	1.4
216.04279	0.8
218.11864	0.6
225.37686	0.6
226.02687	1.6
227.03499	3.7
235.50671	0.6
243.02995	12.1
244.03404	1.4
245.04498	0.8
254.02261	2.3
255.03004	29.1
256.03485	2.1
271.02496	64.9
272.02930	6.9
273.04071	1.0
283.02628	1.0
285.04025	0.8
299.02072	2.4
300.02774	100.0
301.03473	35.6
302.03976	2.3
314.04297	1.3
315.05115	5.5
323.07721	3.5
346.36432	0.6
463.08859	44.3
464.09283	3.9
477.10388	3.8
491.86462	0.6
558.58490	0.7
561.63855	0.6
638.39984	1.2
639.13531	43.6
640.13849	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	639.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.0
61.98822	2.4
69.03465	0.8
71.28468	0.9
71.28863	0.9
73.02975	1.3
81.03465	0.7
85.02939	2.1
89.02424	0.7
93.03445	1.4
94.01001	0.6
95.01387	1.8
101.02451	1.1
107.01398	0.7
108.02179	49.7
109.02969	18.5
113.02440	1.4
120.92448	0.6
121.02942	2.4
123.00927	1.4
123.04487	2.4
125.02449	1.6
133.02956	1.6
134.03761	0.7
135.00858	0.6
135.04530	2.3
137.02452	1.4
145.02841	0.7
151.00450	0.7
151.03993	1.9
152.01160	54.8
153.01958	17.0
153.05565	1.4
154.02454	0.7
158.03740	1.0
159.04518	1.0
161.02469	3.6
163.04041	1.8
165.01878	1.1
171.04533	0.7
172.05225	0.6
173.02405	1.4
186.03224	0.7
187.04015	2.6
199.03932	1.4
200.04723	0.7
210.43817	0.6
237.05602	0.9
251.07077	0.8
251.09358	0.9
252.07803	0.9
262.06256	0.9
263.07095	1.9
265.05054	1.8
265.08368	0.6
267.06763	1.0
279.06622	2.4
280.07404	1.7
281.08176	1.9
282.09006	1.9
290.05719	1.2
291.06635	5.6
292.07150	1.0
293.04648	3.9
294.05017	1.1
297.11356	3.6
307.06097	2.3
308.06897	4.6
309.07736	3.1
315.07208	34.2
316.07587	1.9
323.09241	17.0
323.13068	1.0
324.09552	1.2
341.10379	1.3
358.26733	0.9
373.25662	0.7
475.30923	0.9
476.30713	3.4
477.31174	2.2
485.14313	1.5
595.18457	3.9
621.17169	0.7
639.17181	100.0
640.17609	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.23
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71387	1.1
55.01888	1.4
56.53162	1.4
56.59203	1.1
57.03429	1.5
58.00591	4.9
59.01382	100.0
60.01709	1.3
61.98829	2.3
62.27259	1.1
68.66174	1.3
69.24899	7.4
71.01388	43.9
72.99300	3.8
73.02959	4.0
81.27064	1.1
83.01380	2.8
85.02957	12.2
87.00872	5.7
89.02454	56.5
93.50945	1.3
95.01381	4.1
99.00908	2.2
101.02445	28.7
104.92811	1.2
109.02973	2.0
111.00928	3.0
113.01737	1.7
113.02459	21.5
116.92892	2.1
119.03526	28.1
123.00870	3.0
124.01633	1.3
125.02486	2.5
131.03520	5.0
137.02429	2.6
138.03230	2.2
139.00467	2.1
139.03987	3.0
143.03508	4.5
149.04588	3.6
151.00375	17.0
153.02000	1.7
153.05574	1.9
161.04553	5.5
164.04799	1.6
165.01894	2.8
166.02739	34.3
167.03447	2.1
169.01482	1.9
170.21844	1.2
175.04007	5.0
179.03522	2.7
179.05626	6.4
180.04373	1.4
181.05086	57.0
182.13528	1.3
187.03943	3.0
189.05614	2.0
190.06392	3.1
194.05850	3.4
195.06638	4.2
203.03494	5.2
205.05180	1.5
205.08740	5.8
218.05864	4.8
230.05542	1.3
232.07454	1.4
233.08168	5.2
293.04626	1.8
308.07095	1.7
315.12433	3.1
317.70145	1.5
323.09143	3.4
338.11649	4.1
354.11163	2.2
369.09689	7.3
369.13651	3.2
384.12033	4.1
387.14484	18.4
388.14532	1.4
399.14520	67.2
400.14612	6.6
417.15320	2.1
447.16498	1.7
459.16635	7.6
477.17639	1.9
579.20508	4.2
597.21674	3.2
639.22931	24.0
639.32440	3.8
640.23016	2.1
642.28003	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	7.5
61.98842	7.7
71.01379	5.6
71.28185	8.2
72.99297	7.4
81.03464	12.5
81.42366	5.6
83.01366	5.6
89.58533	7.3
90.35311	6.6
97.02971	20.3
109.02950	6.1
111.04544	7.6
113.02441	8.2
121.02962	19.7
123.04543	15.3
125.02468	20.8
133.02988	9.3
134.03712	12.6
135.04546	14.3
145.02991	23.0
149.06094	14.1
151.04025	13.6
161.02492	12.6
169.01395	6.5
181.08685	16.9
209.08208	7.2
209.11946	8.3
211.13361	7.9
225.07677	10.0
270.09219	7.4
271.09738	10.1
295.09784	10.5
296.10565	10.5
297.11130	14.3
309.11331	7.8
311.09467	4.5
311.12903	100.0
312.09940	9.1
312.13367	14.0
327.12329	63.1
328.12909	6.6
466.19080	6.3
595.35809	10.5
638.39880	10.5
639.24146	18.4
639.38318	59.5
640.38110	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	639.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93217	0.3
65.00327	0.4
81.03452	0.9
83.01385	0.3
109.02972	1.5
109.06598	0.7
111.04512	1.8
125.02448	1.7
125.68149	0.3
136.05324	0.4
137.02451	9.4
137.06047	0.3
138.02785	0.6
151.00328	0.4
151.07657	9.9
163.00400	2.1
163.07590	0.4
177.05565	0.6
179.07159	1.3
181.04977	0.3
181.08727	1.1
189.05597	5.2
193.05070	0.7
194.90520	0.3
195.06641	37.4
196.07018	1.7
205.12178	0.3
207.06635	100.0
208.06961	4.6
221.08209	1.4
235.09625	0.4
249.11337	2.0
261.11392	1.9
403.13998	36.7
404.14310	4.1
422.16241	0.4
431.20776	5.9
432.21185	1.0
457.18719	1.9
639.28119	7.7
640.28259	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19561	0.6
81.03458	1.1
83.01374	0.7
92.07056	0.5
109.02972	1.9
109.06593	0.7
111.04516	2.1
121.06673	0.5
125.02462	1.8
134.92946	0.5
137.02452	14.2
142.82437	0.5
151.07661	14.0
152.07997	0.7
163.00378	2.2
163.75766	0.4
176.21408	0.5
177.05618	0.7
179.07127	1.1
181.08740	1.5
189.05576	6.2
193.05110	0.9
195.06636	38.4
196.06909	1.4
207.06628	100.0
208.06990	5.1
209.08206	0.6
210.28922	0.5
221.08054	0.9
249.11340	2.1
261.11292	1.7
403.13968	25.5
404.14240	3.2
431.20615	5.4
457.18781	1.3
537.43152	0.5
585.71326	0.5
639.28192	6.0
640.28058	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43618	2.2
57.03447	3.0
59.01386	27.8
61.98827	8.1
62.08564	2.0
65.03950	3.6
69.16280	7.8
69.16690	5.9
69.32498	2.0
71.01385	22.8
72.99300	2.8
73.02944	6.1
78.95918	6.8
81.03471	2.7
83.01400	2.9
83.05036	9.4
84.04080	2.1
85.02933	6.3
85.06604	2.5
87.00887	10.5
87.05667	2.5
89.02460	16.1
91.05556	2.5
93.03465	7.2
97.02969	3.2
97.06611	4.7
98.22524	4.3
101.02455	18.2
109.06617	2.5
111.00903	2.8
111.04525	3.0
111.08175	8.1
113.02481	11.3
113.98989	2.6
119.03503	4.0
125.02388	3.6
125.09715	15.4
129.10364	3.2
136.05344	2.3
137.02473	16.4
137.09740	4.0
145.05089	4.5
152.99612	3.8
161.04552	5.1
163.11449	2.2
165.09149	2.1
171.10280	70.6
185.11891	4.2
205.16068	3.9
207.15063	2.5
209.11867	48.4
210.12415	2.9
211.13390	44.0
212.13753	3.0
215.14391	11.7
224.17558	2.6
228.13632	2.9
231.14075	4.8
233.15454	34.2
233.50618	2.4
235.08261	13.2
249.14961	30.4
253.09167	7.1
270.05902	2.2
301.52551	2.6
313.22510	2.5
325.10754	5.4
331.26587	3.0
341.21780	5.6
341.25272	4.5
367.22812	4.3
367.79416	2.1
373.26019	3.1
375.25354	5.8
385.23840	27.3
386.24353	2.4
403.24890	48.0
404.13632	2.2
404.25247	4.2
421.25888	16.2
485.23550	3.2
501.61847	2.6
567.38770	8.1
621.32849	100.0
622.32996	17.4
639.33698	51.8
640.34021	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	639.3552
Annotation	23-Galloylarjunolic acid
Peak:m/z	Relative Intensity
57.03452	2.5
61.98827	3.2
66.80198	2.4
68.99818	2.5
69.36184	14.8
72.92298	2.0
72.99314	2.3
78.07148	2.2
81.03458	33.8
83.05014	3.3
95.01415	3.2
95.05048	2.6
96.96046	2.9
97.02955	8.8
98.21791	4.1
99.04536	16.0
101.02452	3.0
109.02964	5.6
116.92873	3.3
121.03056	2.6
123.00911	3.3
123.04540	5.7
125.02468	35.5
125.09675	2.8
133.02983	3.0
135.04640	2.6
145.02858	2.3
149.06049	4.5
158.51440	2.6
161.02480	5.3
169.01434	7.3
171.02968	4.6
181.08713	6.9
190.63504	2.5
209.08154	3.5
209.11911	2.9
225.07735	3.0
241.07895	2.1
271.09726	4.2
299.09311	5.0
311.12842	4.6
327.12210	2.6
363.85101	2.5
437.29343	3.1
451.32184	100.0
451.38577	4.8
452.32428	18.5
453.33542	6.3
467.31796	3.3
469.33252	58.8
470.33578	8.6
528.50317	2.6
551.37610	3.5
593.34503	3.1
595.36420	34.6
596.36877	4.3
621.24225	2.9
621.34723	3.0
639.24622	4.6
639.36157	18.8
640.36987	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	640.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	17.5
59.25842	2.2
61.98838	15.2
63.38159	2.4
69.03436	2.6
83.01403	7.7
98.21681	5.0
109.02963	23.3
112.12588	2.0
114.53273	2.0
121.02979	5.1
123.01011	2.1
123.04531	14.1
125.02460	100.0
126.02847	3.3
132.14561	2.4
135.04529	2.5
137.02438	27.9
139.04073	3.5
145.03003	2.6
149.02444	7.3
151.04056	10.8
159.04565	3.2
161.02457	30.8
162.03209	2.9
163.03955	4.4
164.01131	7.3
165.01959	6.8
167.03522	5.5
169.01416	3.9
175.04015	7.2
177.01933	9.5
179.03523	3.8
187.04025	4.4
188.04739	2.8
203.07129	7.9
205.01430	2.8
205.05087	9.0
211.03827	2.2
217.05190	3.1
227.03424	2.7
229.05037	4.5
243.03104	5.7
245.04544	7.2
245.08098	13.8
255.02945	9.2
256.03793	4.2
257.04477	3.5
273.04047	3.2
281.04614	4.9
287.05563	12.5
289.07214	62.5
290.07632	6.4
299.05539	5.3
305.06903	3.4
339.08728	5.8
407.07764	53.0
408.07947	4.7
425.08841	43.7
451.10425	20.3
577.13586	26.4
578.13916	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	640.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23432	1.6
57.03452	11.0
59.91185	2.0
61.98835	81.3
62.61029	1.4
69.06025	12.5
83.01385	4.3
96.96037	2.4
97.02930	2.7
108.02186	4.7
109.02970	15.3
121.02984	3.5
122.03775	1.6
123.00857	1.9
123.04533	11.3
125.02459	100.0
126.02814	2.8
133.02965	3.6
135.04488	2.4
137.02446	20.7
138.19746	1.6
139.04021	2.7
147.04489	1.4
149.02435	2.0
151.03984	8.4
152.01128	4.1
160.24254	1.6
161.02464	21.8
161.06084	2.4
163.00426	1.6
163.03920	2.1
164.01193	5.3
165.01942	3.3
167.03485	2.9
169.01434	4.9
173.02492	1.6
175.04001	5.4
177.01949	3.9
179.03525	4.9
185.06078	1.5
187.03952	4.4
188.04739	1.8
201.01814	2.0
203.07205	5.7
205.05095	5.5
217.05106	1.5
229.05171	2.5
243.03027	2.5
245.08241	11.3
255.02989	2.7
256.03659	3.6
273.04123	3.6
275.02051	4.1
281.04587	1.8
285.04071	1.7
287.05585	10.4
289.07181	60.1
290.07477	2.8
299.05688	4.5
300.99899	5.6
359.93472	1.6
403.35651	1.6
407.02490	3.2
407.07672	29.9
408.08017	2.4
425.08826	32.4
426.09158	2.6
437.38998	1.5
451.10403	11.3
495.11569	5.9
577.13593	17.5
578.13702	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	640.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	2.7
69.67514	7.1
88.99644	1.8
91.32745	1.8
95.71321	1.8
96.96027	3.1
98.21761	2.7
103.73757	1.7
104.88550	1.6
109.02977	3.2
123.00903	2.9
124.01662	2.2
125.02483	15.8
127.39754	1.8
137.02440	6.0
137.47104	1.8
139.04015	7.0
145.02962	4.2
145.05675	1.8
147.04500	2.6
151.00409	12.4
151.04051	3.5
152.01146	2.5
161.02443	3.2
163.04022	2.9
166.02728	45.4
167.03465	5.2
168.00784	2.2
169.01430	6.5
173.02463	3.9
174.03212	3.1
175.04019	8.4
177.01952	3.7
177.05605	2.1
181.05078	60.0
188.04878	2.2
189.05486	2.4
190.02618	1.9
190.06320	6.9
192.96669	2.1
193.05130	6.4
205.08739	7.4
208.07425	5.2
212.03511	1.9
223.09776	13.4
245.08107	2.2
269.04593	5.6
275.01877	2.4
284.06918	2.5
289.07584	2.8
297.03983	14.1
301.00024	3.1
309.07565	2.1
312.06400	18.9
327.08722	30.2
328.08929	3.0
342.11096	42.9
343.11319	3.4
357.09839	1.4
357.13443	72.3
358.13901	7.3
375.14569	14.3
405.15543	100.0
406.15982	7.3
417.15491	10.3
435.16626	7.7
479.12274	2.0
523.49310	2.1
567.20837	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	641.115
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71816	0.7
65.33333	0.8
65.40819	0.7
69.20962	5.0
70.05598	0.7
72.71898	0.7
89.24102	0.8
93.03445	1.1
104.06631	0.7
108.02150	1.4
109.02881	0.8
116.92855	1.2
123.00927	1.0
123.04569	1.0
125.02441	2.6
130.00612	0.9
137.02467	1.3
150.03172	0.7
152.01170	1.3
167.03496	3.0
169.01405	1.7
184.70641	1.0
197.99672	1.2
210.80049	0.9
241.98491	1.3
242.99411	1.6
254.99385	2.2
257.00885	2.0
258.01794	1.0
269.98074	36.8
270.01047	1.7
270.98822	13.9
271.99252	1.4
283.99661	2.1
285.00421	19.8
286.01059	2.9
286.17752	0.9
297.00504	1.3
297.97556	60.5
298.98306	30.6
299.99020	5.8
300.99969	3.3
312.99921	98.1
314.00616	39.1
315.01263	3.2
328.02258	38.5
329.02979	7.9
354.85980	0.9
425.46030	0.9
445.04422	0.8
607.36011	0.9
626.08984	2.4
641.11456	100.0
642.11749	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	641.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66677	1.5
64.20257	1.5
71.01376	4.3
74.85906	1.6
81.03456	2.2
95.01375	1.7
96.96008	2.5
98.22534	4.7
107.01398	3.1
108.02183	48.9
109.02965	82.8
110.03289	1.9
121.02956	4.4
123.00880	8.2
123.04508	3.4
124.01657	1.8
125.02461	5.4
127.82509	1.6
137.02475	3.8
138.03236	5.0
139.04045	3.6
147.98689	1.7
149.02438	3.1
151.04045	2.3
152.01172	44.2
153.01964	74.5
153.05612	4.9
154.02357	2.7
163.67264	1.5
166.99840	2.0
167.03448	3.8
168.00674	1.7
169.01460	3.8
181.01485	3.1
182.02174	11.3
183.02994	9.9
195.06516	1.7
197.04601	16.3
200.41846	1.8
300.99927	2.4
315.07217	5.5
327.07211	7.0
341.08865	4.6
344.54865	1.7
373.74991	1.8
420.19183	1.5
465.27759	1.9
479.11334	1.8
495.11459	100.0
496.11926	9.4
537.12653	4.0
541.92566	1.6
583.61188	1.9
641.17303	68.8
642.17206	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	641.188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	11.2
60.93300	1.0
61.98832	6.2
69.03451	1.6
71.01392	7.7
71.05028	1.2
71.28349	1.5
73.02936	4.1
73.97816	1.0
81.03469	2.8
83.01375	1.5
85.02979	5.0
85.60284	1.1
87.00826	1.4
89.02466	2.2
91.05553	1.2
93.03472	2.0
95.01392	3.2
97.02944	1.3
99.00905	2.0
101.02477	3.2
103.23679	1.1
104.21436	1.0
107.05085	1.5
108.02183	67.3
109.02967	38.8
109.06653	1.0
110.03316	1.5
113.02454	2.9
114.41986	1.1
121.02984	5.0
123.00885	8.9
123.04538	3.9
124.01685	13.0
125.02449	3.1
133.03003	1.4
135.04526	17.2
136.01637	1.6
137.02463	3.6
137.06096	3.3
139.04036	5.0
139.11317	2.6
147.04471	1.7
148.05319	2.4
149.02342	1.1
149.06061	6.3
151.04062	3.1
152.01163	70.4
153.01967	28.3
154.02332	1.9
161.02483	4.1
161.04466	1.4
162.03253	1.4
163.04019	3.1
164.11391	0.9
165.02026	1.5
167.03558	2.4
168.00589	1.1
169.01498	2.5
181.05083	8.0
181.12317	1.2
181.28062	1.0
183.10286	2.9
191.03563	1.2
193.05135	1.7
193.53777	1.0
197.11858	2.9
207.10330	1.8
209.08243	1.4
209.11794	3.0
211.13388	4.1
225.11395	2.9
270.00360	1.0
271.09772	1.4
283.09821	1.3
285.20847	2.5
297.07773	1.5
311.07709	6.1
311.12860	2.3
313.10822	1.2
315.07321	3.5
325.10938	2.0
327.25659	1.2
329.13986	2.4
339.25381	2.5
343.11884	8.3
357.26489	41.3
358.26709	3.4
473.32785	14.8
474.33218	1.4
493.13559	2.3
612.34448	1.2
641.18817	100.0
641.34686	12.6
642.19000	15.9
642.35229	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	641.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	5.8
61.98833	2.6
69.03442	0.8
71.01381	3.5
71.28870	0.7
73.02941	2.1
81.03451	2.0
83.01414	0.6
84.24852	0.5
85.02951	3.2
89.02402	0.6
93.03470	1.8
95.01389	2.3
97.02966	0.7
99.00944	0.8
101.02447	2.2
107.01378	0.8
108.02182	63.4
109.02975	33.5
113.02471	1.3
113.12667	0.5
116.92850	2.2
121.02954	5.8
122.03722	1.1
123.00882	2.5
123.04542	3.3
125.02483	2.7
133.02914	2.5
134.03752	1.7
135.04530	4.0
137.02440	4.4
145.02956	1.9
147.04483	0.9
149.02498	0.6
149.06105	0.7
151.00395	0.7
151.04044	1.7
152.01164	58.7
153.01962	20.3
161.02448	6.3
161.06119	0.7
163.03955	2.6
163.07635	1.0
164.04778	1.0
165.01961	0.8
165.05606	0.6
169.01462	1.4
175.04124	0.6
179.03464	0.8
188.67421	0.6
189.05589	1.0
193.05113	0.7
195.10272	0.8
199.94217	0.5
206.07974	0.5
207.02980	1.2
209.08217	1.3
209.11780	0.6
210.08887	0.9
212.08398	1.0
221.08220	0.9
223.07574	0.6
225.11388	0.6
225.66553	0.7
239.07164	1.1
240.07841	0.8
251.07133	1.4
252.07858	1.7
253.05112	1.0
255.06639	0.8
256.07489	0.9
265.08749	1.0
266.05847	0.6
267.06656	3.7
267.09357	0.5
268.07391	9.3
269.08121	3.0
271.09769	2.0
282.09006	1.1
283.06915	0.9
283.09753	6.0
284.10461	1.8
297.06271	0.6
297.11279	3.7
298.12097	0.9
299.09293	1.3
299.12915	1.5
311.09286	1.7
315.07358	1.3
325.10721	2.9
329.10437	0.9
339.12405	1.2
343.11874	8.2
344.12244	0.8
385.13040	3.4
419.20761	0.7
461.14691	4.0
462.15012	0.6
479.13342	0.8
487.16150	0.6
597.19647	2.4
623.17847	1.8
641.18756	100.0
642.19043	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	641.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	4.7
61.56239	1.8
61.98811	2.9
69.00343	9.0
69.00767	5.0
71.01379	5.9
85.02971	1.8
93.03456	6.2
95.01362	2.2
97.02885	1.9
101.02443	2.0
107.01395	14.0
108.02177	1.7
109.02930	2.0
111.00896	3.1
116.92873	2.2
121.02948	3.8
123.00899	13.1
125.02460	82.6
126.02857	1.8
127.00309	2.2
137.02475	11.7
139.00363	5.0
140.01192	4.0
141.01924	2.0
148.08154	1.5
148.22697	1.5
149.06111	2.7
151.00368	10.3
153.01920	1.8
163.07677	14.0
167.03445	3.0
168.00645	5.5
169.01437	100.0
170.01779	2.6
177.01941	2.3
183.02948	3.8
191.07164	15.9
203.07135	2.2
211.34383	1.5
238.09895	1.7
241.05220	1.9
265.08731	4.6
266.09399	3.2
269.97946	1.9
270.98856	2.2
277.08688	1.7
278.09338	3.4
281.08246	5.4
282.08997	39.3
283.09488	4.6
285.04074	3.1
293.08093	6.2
294.09042	15.5
295.09671	5.1
297.11346	60.0
297.97559	3.0
298.11658	4.5
298.98236	4.0
303.05084	3.2
309.11325	17.9
310.11569	2.5
312.99854	4.7
313.05679	54.7
314.00665	4.8
314.05991	4.8
315.12225	2.1
327.07526	1.8
327.12360	5.5
329.03018	5.4
459.16565	5.9
489.17627	5.4
505.13705	3.5
611.17688	68.8
612.18146	10.9
623.17773	60.4
624.17633	8.7
641.19012	41.8
642.18848	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	641.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.8
61.98826	3.5
64.98579	0.6
65.38824	0.7
66.19470	0.6
69.94466	1.6
69.94842	1.6
71.01400	3.7
72.99322	0.8
75.41438	0.6
83.01426	0.7
89.02469	1.6
93.03484	2.9
95.01435	1.0
96.96037	1.1
97.03000	0.8
101.02418	0.8
107.01408	6.5
108.02196	0.9
109.02965	1.2
111.00893	2.2
113.02460	1.3
121.02951	1.4
123.00883	5.2
124.01709	1.7
125.02455	38.7
127.00385	1.0
133.02963	1.6
135.04523	1.5
136.04042	0.7
137.02457	8.8
139.00400	3.1
139.04015	1.0
140.01154	3.1
141.01964	0.8
142.05078	0.7
145.02962	1.6
149.02493	1.1
149.06108	2.1
151.00410	3.9
151.04082	1.0
161.02472	2.3
162.03125	0.7
165.01918	1.4
167.03545	2.2
168.00647	11.1
169.01433	49.1
170.01747	1.6
177.02043	1.0
179.03485	4.4
183.02896	0.9
198.55287	0.6
203.07153	0.8
209.04611	2.0
209.08195	1.3
211.02486	45.6
212.02835	1.6
226.77357	0.8
229.29431	0.8
231.46573	0.8
238.10037	3.0
239.05614	3.3
239.07759	0.7
241.03358	1.0
243.06622	0.9
249.09346	1.2
253.05009	1.1
265.08704	1.7
266.09515	2.2
271.04608	100.0
272.04974	5.4
274.42422	0.7
277.08728	2.8
278.09460	3.4
279.10132	1.1
282.09033	3.9
283.09662	1.9
292.07501	1.9
293.08185	5.9
294.08984	10.6
295.09460	1.0
297.11279	3.8
299.07690	1.5
309.11234	4.8
313.05661	8.0
331.06714	25.4
332.07245	1.2
341.13809	1.0
387.20004	0.9
461.10941	2.4
462.11823	1.0
463.12964	0.9
641.18652	38.7
642.19055	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	641.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69532	0.6
59.01386	7.1
61.98841	1.5
64.72961	0.8
69.02162	6.9
71.01389	3.9
73.02969	0.9
76.61552	0.8
85.02970	1.4
89.02441	1.9
93.03469	1.1
95.03429	0.8
101.02450	2.1
105.03539	1.2
108.02182	12.3
109.02993	8.2
113.02506	0.9
116.92871	3.0
117.03430	1.0
119.05045	2.1
121.02956	2.5
122.03723	2.3
123.04514	3.1
125.02430	2.3
132.02235	1.1
133.01956	1.4
133.02971	27.9
134.03252	1.1
135.04521	14.3
137.02513	3.6
137.06084	1.1
139.04042	1.3
149.02480	2.2
149.06088	1.8
151.04070	1.0
152.01163	10.2
153.01952	5.2
161.02455	100.0
162.02811	2.4
163.03999	1.4
164.04829	4.5
169.01344	1.0
177.05586	2.4
179.03520	10.8
179.07112	1.8
181.05063	0.9
209.08076	0.8
213.97554	0.8
221.04512	3.5
251.05545	1.6
253.05116	0.8
255.06677	2.1
267.06790	0.9
268.07452	1.8
269.07999	1.3
270.09094	1.5
281.06628	2.5
283.09766	1.5
285.11353	0.9
297.11380	1.3
315.08832	1.0
329.10239	4.4
343.11880	2.3
385.13028	2.0
413.12885	1.3
460.13538	1.8
461.14548	88.5
462.14938	10.5
473.14426	1.7
597.20038	8.9
598.20850	1.2
641.19604	25.9
642.19141	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.9
59.17616	0.4
61.98823	1.5
67.01895	0.8
68.99770	0.4
69.03432	0.7
69.54214	1.6
69.54621	0.7
71.01383	4.2
73.02938	0.6
73.79509	0.6
79.01910	0.9
79.94768	0.4
80.74639	0.4
81.03469	0.7
83.01396	1.3
85.02978	1.1
86.58385	0.4
95.01406	1.5
95.48003	0.4
97.02970	1.2
98.57515	0.6
101.02451	1.7
107.01398	9.4
107.05015	0.5
108.02199	0.7
109.02982	5.9
111.00280	0.5
111.00931	2.1
113.02477	1.7
116.85808	0.5
121.02946	0.7
123.00889	12.4
123.04535	1.5
124.01678	2.7
125.02460	44.3
126.02789	1.0
126.75373	0.4
127.00395	1.1
135.48660	0.5
136.98833	1.4
137.02469	1.0
138.03246	0.4
139.00400	5.8
139.04010	1.2
139.11298	1.2
140.01181	3.8
141.01976	1.9
149.05971	0.5
151.00375	9.7
153.01981	0.8
161.04610	0.8
166.99924	0.7
167.03578	0.8
168.00684	5.3
169.01442	54.0
170.01736	0.8
173.06046	1.0
179.03751	0.5
179.05551	0.5
181.12364	0.5
183.03004	3.4
183.10297	0.8
187.07660	0.6
189.09207	0.6
191.03574	0.5
192.34822	0.4
209.11879	0.6
211.02470	1.0
211.13191	0.5
223.02522	0.6
225.11295	1.2
241.05321	2.6
243.12440	0.9
255.06612	1.9
256.07336	0.5
285.13629	0.5
297.06238	1.2
297.11301	2.5
299.11630	0.7
311.12704	1.0
312.13675	6.1
313.05707	13.0
313.14426	1.8
314.06012	0.9
327.07193	0.8
327.16101	3.9
357.26477	5.4
359.27887	3.0
611.17163	0.7
641.22473	100.0
641.34656	5.0
642.22778	17.6
642.33813	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69428	0.6
59.01383	84.4
61.98821	5.3
71.01389	1.4
71.29759	0.7
73.02939	0.6
88.98829	1.2
90.08270	0.7
96.96014	1.0
101.02466	0.8
116.92867	1.0
123.00912	0.6
125.02477	1.4
127.98410	0.7
134.82228	0.6
137.02464	1.3
149.06102	2.6
150.03174	0.6
151.04059	2.2
161.02469	8.9
161.04543	0.8
165.05701	0.6
169.01465	1.0
169.45227	0.6
176.04794	7.5
177.01889	0.7
179.03503	15.0
180.04041	0.6
191.07152	3.0
193.05052	2.1
194.05844	22.1
195.06372	0.9
209.08200	100.0
210.08551	5.4
241.05042	0.6
271.02029	0.6
287.51889	0.6
355.30746	0.7
419.17111	8.9
420.17383	1.1
447.09497	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.4
59.01382	1.5
61.98827	0.3
68.99804	0.2
69.03456	0.5
69.06686	1.1
69.07100	0.4
71.01386	1.6
72.99319	0.2
73.02940	0.4
75.33666	0.2
83.01385	0.3
83.05022	0.3
85.02938	0.3
87.00874	0.4
89.02448	1.2
95.01416	0.2
97.02978	0.3
97.06602	0.2
101.02438	1.7
108.02178	0.5
109.02962	0.3
111.04527	0.2
113.02431	0.8
116.92896	0.4
119.03497	0.6
123.04541	0.5
125.02465	0.3
125.09716	0.2
137.02396	0.2
145.05135	0.3
155.10799	0.3
161.04532	0.7
163.03979	0.4
165.12825	0.4
167.10767	0.3
167.14421	0.7
181.08742	0.3
183.13908	6.2
184.14241	0.3
191.03519	0.6
193.12349	2.0
211.13403	100.0
212.13737	5.2
235.08235	1.6
253.09312	4.1
271.09821	0.3
297.07556	0.3
299.09091	0.2
315.08719	0.2
327.12662	0.3
345.03104	0.2
387.25504	0.7
405.26547	0.4
429.21414	0.6
447.22418	4.1
448.22870	0.3
623.34686	1.0
641.23511	0.6
641.37048	0.7
654.23956	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.0945
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16977	0.6
59.01382	1.1
69.03439	0.8
71.01363	3.0
83.27450	0.6
94.95085	0.6
95.01416	1.2
101.02486	1.7
107.01414	6.8
111.00906	0.9
123.00909	4.1
125.02457	32.7
126.18286	0.7
139.00397	1.4
139.03943	0.9
140.01166	1.0
145.72968	0.6
151.00438	3.1
153.01891	0.7
168.00623	2.5
168.33711	0.6
169.01439	34.0
170.01819	1.2
172.31282	0.7
178.82513	0.6
183.02986	0.8
211.02541	1.8
238.25949	0.7
242.99364	2.2
244.00249	1.1
258.01746	1.6
269.97998	3.3
270.98868	36.0
271.99292	3.4
283.99655	3.1
285.00446	9.1
286.01196	3.4
297.97586	5.7
298.98361	57.5
299.99091	42.3
300.99710	5.5
313.00040	16.1
313.05652	28.7
314.00696	57.2
315.01443	28.8
316.01816	2.2
328.02240	1.1
329.03033	17.6
330.03491	1.0
477.06720	4.9
611.06183	0.9
628.07416	1.1
643.09442	100.0
644.09747	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	643.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	4.4
60.21947	0.8
61.98826	5.6
67.01891	1.3
67.49370	0.7
69.03462	1.1
69.20317	4.7
70.76406	0.7
71.01389	6.7
73.02961	1.6
73.86925	0.9
74.99102	1.5
79.01879	0.8
83.01382	1.4
85.02949	1.9
87.00865	1.8
89.02451	1.0
95.01414	1.2
96.96062	1.0
97.02969	1.7
101.02468	1.5
102.69170	0.7
107.01393	13.3
109.02968	1.3
111.00883	2.0
113.02457	1.4
121.02975	0.9
123.00892	8.1
123.04555	3.2
124.01633	1.2
125.02458	74.9
126.02810	1.3
136.98949	1.8
137.02419	2.3
139.00421	3.5
139.04037	1.8
140.01155	3.0
150.67114	0.8
151.00386	5.3
151.04027	1.5
153.01956	1.3
167.03448	0.9
168.00635	2.1
169.01436	90.1
170.01801	3.2
172.64523	0.7
179.03532	1.8
183.03012	1.4
211.02524	2.7
227.03572	1.0
241.03395	3.6
242.02216	2.8
243.02960	2.5
249.06143	0.8
253.03368	0.8
255.02904	1.8
270.01721	3.7
271.02466	4.1
285.04041	4.2
299.02002	12.1
299.05237	1.3
300.02618	3.4
313.06207	21.5
314.04211	14.5
315.05038	3.8
328.06070	3.0
329.06656	8.4
477.28925	0.8
491.12143	2.8
495.63107	0.8
643.13037	100.0
644.13422	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	643.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.2
61.98814	1.5
68.34097	0.6
71.01379	0.6
71.29857	1.0
75.12605	0.6
75.56033	0.5
90.72556	0.5
92.51666	0.6
93.03472	1.5
101.46335	0.5
102.92212	0.6
109.02953	1.0
109.21046	0.5
114.71049	0.6
123.00851	0.9
125.02458	4.2
126.02827	0.8
135.04523	1.2
137.02432	4.2
146.86478	0.6
151.03940	0.6
160.01620	0.7
165.01898	1.1
169.01410	2.9
172.01674	2.5
173.02385	0.9
176.71870	0.6
179.03549	0.7
180.04314	0.7
185.02469	2.4
188.01132	0.8
200.01164	2.0
201.01997	1.1
216.00668	3.2
217.01370	0.6
226.99808	0.8
228.00668	2.2
229.01414	2.5
234.99614	0.8
242.99380	1.8
244.00075	4.3
257.00958	1.4
270.98822	1.5
271.99597	2.4
281.06607	0.8
282.98862	1.7
283.99686	1.9
298.98291	2.2
299.09085	1.0
299.99115	88.2
300.99884	100.0
302.00256	5.2
329.13849	0.9
347.15030	1.3
388.55862	0.7
445.04120	1.4
463.04846	1.1
563.26849	0.7
613.18439	1.1
625.18884	0.9
643.12891	67.8
644.13257	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	643.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29953	0.4
53.00309	0.5
55.01887	2.3
57.03449	7.1
57.20211	0.5
59.01377	8.1
66.08417	0.5
67.01887	1.7
68.99832	1.3
69.03458	8.2
69.62891	2.2
71.01385	18.0
72.99301	2.6
73.02950	16.8
79.01925	0.6
81.03458	1.6
83.01387	5.2
83.05047	0.7
84.02170	1.5
85.02956	63.2
86.03302	1.3
87.00880	100.0
88.01220	1.6
89.68740	0.5
95.01389	9.5
96.73246	0.4
96.96024	1.1
97.02956	28.5
98.22496	0.7
99.00887	2.0
99.04528	1.3
101.02451	1.6
103.04025	10.9
103.04675	1.0
109.02946	2.5
111.00893	2.5
113.02454	44.0
114.03290	0.8
115.00383	12.0
115.04002	2.4
125.02417	1.1
127.04021	2.1
129.01938	2.2
131.03563	0.8
139.00354	2.4
145.05107	0.9
157.01419	11.7
158.01869	0.5
165.04224	0.6
167.86945	0.5
173.04543	3.7
175.02484	68.7
176.02837	1.7
191.05634	1.3
215.31427	0.4
217.03535	26.1
218.03828	0.8
235.04739	0.9
303.07220	29.7
304.07568	1.3
321.08258	12.4
322.08575	0.7
381.10361	1.4
479.10406	10.7
480.10635	1.6
495.13541	0.8
497.11368	1.2
521.10828	0.6
539.12573	20.1
539.20728	1.1
540.13202	2.3
625.16290	12.4
626.16553	1.9
643.17249	35.1
644.17450	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	643.173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	4.0
57.03445	6.2
59.01384	10.2
59.61814	1.9
61.11592	1.9
69.03438	5.8
69.49513	9.6
71.01382	13.3
72.99327	2.5
73.02946	14.3
83.01403	4.8
85.02959	66.4
86.03297	2.3
87.00883	100.0
95.01393	7.0
96.96032	4.1
97.02959	28.0
102.98717	2.0
103.04022	8.1
106.47493	1.8
109.02948	2.5
113.02458	43.9
115.00381	9.9
129.01976	3.0
138.37943	2.0
157.01457	7.8
173.04553	4.9
175.02501	60.6
217.03537	22.7
248.66818	2.3
290.05588	1.8
303.07239	34.3
321.08240	11.9
479.10556	9.5
539.12604	20.3
625.16431	9.5
643.17334	30.8
644.17548	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	643.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.8
61.98832	1.0
70.27346	0.6
70.27676	1.0
71.01376	2.1
72.99306	0.6
73.16443	0.5
79.68990	0.5
83.01395	0.6
84.51466	0.4
85.02932	0.9
89.02442	0.9
95.01384	0.6
97.02934	0.7
101.02425	1.3
101.95882	0.5
107.01397	2.1
108.02185	1.1
109.02927	0.5
111.00873	1.6
113.02449	0.6
123.00878	1.6
123.04494	0.8
124.01707	2.1
125.02458	14.8
127.00379	0.8
127.84828	0.6
135.04529	0.5
136.98775	1.3
137.02464	0.9
139.00369	2.5
139.04071	0.9
140.01178	2.7
148.05325	5.2
149.06111	2.4
151.00368	1.3
161.04617	0.6
163.03938	0.5
163.07663	2.0
165.01971	0.8
167.03505	1.6
168.00658	10.2
169.01431	24.6
170.01768	0.9
174.53598	0.5
183.10294	0.8
191.03540	0.9
197.11842	6.2
209.11809	5.4
211.02490	48.5
212.02875	1.9
227.12915	2.2
241.03441	0.8
246.84302	0.7
253.09155	0.6
271.04602	100.0
272.04984	5.2
331.06729	17.8
331.10803	0.9
332.06985	0.8
361.87726	0.5
402.87259	0.5
404.55896	0.5
643.20862	2.7
643.33502	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	643.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	15.4
61.98841	10.2
62.45118	2.0
67.01943	2.0
67.43357	1.7
71.01384	10.2
73.02950	4.2
85.02969	4.9
87.00895	1.9
87.04510	1.8
88.98854	3.9
89.02457	6.7
93.03453	3.4
95.01424	5.0
96.96047	3.0
97.02969	4.7
101.02467	7.5
107.01415	5.0
108.02193	16.0
109.02961	9.6
111.00909	3.7
111.04534	2.9
113.02462	4.6
119.05057	2.6
120.99673	14.3
121.02972	4.2
123.00896	8.9
123.04557	6.0
124.01691	9.6
125.02456	26.8
133.02974	2.6
134.03769	4.5
135.04547	6.9
136.01648	2.1
137.02432	10.8
137.06067	2.4
139.00403	9.0
139.04019	2.7
145.02963	2.7
148.05260	3.3
149.02434	4.6
149.06018	10.9
149.99615	7.7
150.06908	3.3
151.00342	7.7
151.04005	2.7
152.01160	14.2
152.67487	1.8
153.01971	13.1
153.05623	2.9
154.02672	4.3
155.10760	3.4
155.27684	1.8
161.02483	3.0
163.04066	5.2
163.07652	2.1
164.04781	3.7
165.01924	6.8
167.03477	4.4
168.00688	14.2
169.01436	19.1
169.05057	2.2
179.03436	3.2
179.07185	2.8
180.99672	10.2
181.01244	2.8
181.05101	3.3
182.02342	2.1
183.02902	2.0
183.06705	1.9
195.01251	3.0
195.06633	3.8
196.01971	12.8
197.02687	2.5
197.11887	5.7
199.02350	2.6
199.04001	2.5
199.09692	2.8
207.06667	3.1
209.11826	7.0
209.78439	1.6
211.04362	12.8
215.03545	2.2
225.07668	2.3
227.03528	2.9
229.05110	5.7
237.05841	1.8
241.05208	3.3
243.02916	9.7
251.11513	2.2
255.03000	5.6
255.06689	5.4
256.07269	4.4
257.04547	3.3
259.02982	2.0
269.04666	2.2
270.09070	4.1
271.02505	64.1
271.05386	4.0
271.09723	5.9
272.02832	3.0
285.04089	5.6
287.09302	3.0
287.18729	2.7
289.45129	1.9
298.98523	4.1
299.02020	84.1
299.05801	9.4
299.99249	5.7
300.02701	65.9
300.05408	2.5
301.03046	3.1
311.07703	2.7
313.05762	6.3
314.00891	3.8
314.04291	22.5
314.07626	3.2
315.01636	4.9
315.05170	79.6
315.08749	19.9
316.02039	2.2
316.05484	5.7
329.10281	15.5
329.13666	2.5
345.31223	2.1
359.15039	3.3
373.26022	6.0
391.27023	2.7
399.28949	2.6
445.29547	11.2
477.10263	2.1
479.08249	3.2
480.08917	8.6
481.35541	5.0
508.29651	2.1
555.18439	5.2
625.19958	2.2
643.20166	100.0
644.20636	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	15.4
61.98841	10.2
62.45118	2.0
67.01943	2.0
67.43357	1.7
71.01384	10.2
73.02950	4.2
85.02969	4.9
87.00895	1.9
87.04510	1.8
88.98854	3.9
89.02457	6.7
93.03453	3.4
95.01424	5.0
96.96047	3.0
97.02969	4.7
101.02467	7.5
107.01415	5.0
108.02193	16.0
109.02961	9.6
111.00909	3.7
111.04534	2.9
113.02462	4.6
119.05057	2.6
120.99673	14.3
121.02972	4.2
123.00896	8.9
123.04557	6.0
124.01691	9.6
125.02456	26.8
133.02974	2.6
134.03769	4.5
135.04547	6.9
136.01648	2.1
137.02432	10.8
137.06067	2.4
139.00403	9.0
139.04019	2.7
145.02963	2.7
148.05260	3.3
149.02434	4.6
149.06018	10.9
149.99615	7.7
150.06908	3.3
151.00342	7.7
151.04005	2.7
152.01160	14.2
152.67487	1.8
153.01971	13.1
153.05623	2.9
154.02672	4.3
155.10760	3.4
155.27684	1.8
161.02483	3.0
163.04066	5.2
163.07652	2.1
164.04781	3.7
165.01924	6.8
167.03477	4.4
168.00688	14.2
169.01436	19.1
169.05057	2.2
179.03436	3.2
179.07185	2.8
180.99672	10.2
181.01244	2.8
181.05101	3.3
182.02342	2.1
183.02902	2.0
183.06705	1.9
195.01251	3.0
195.06633	3.8
196.01971	12.8
197.02687	2.5
197.11887	5.7
199.02350	2.6
199.04001	2.5
199.09692	2.8
207.06667	3.1
209.11826	7.0
209.78439	1.6
211.04362	12.8
215.03545	2.2
225.07668	2.3
227.03528	2.9
229.05110	5.7
237.05841	1.8
241.05208	3.3
243.02916	9.7
251.11513	2.2
255.03000	5.6
255.06689	5.4
256.07269	4.4
257.04547	3.3
259.02982	2.0
269.04666	2.2
270.09070	4.1
271.02505	64.1
271.05386	4.0
271.09723	5.9
272.02832	3.0
285.04089	5.6
287.09302	3.0
287.18729	2.7
289.45129	1.9
298.98523	4.1
299.02020	84.1
299.05801	9.4
299.99249	5.7
300.02701	65.9
300.05408	2.5
301.03046	3.1
311.07703	2.7
313.05762	6.3
314.00891	3.8
314.04291	22.5
314.07626	3.2
315.01636	4.9
315.05170	79.6
315.08749	19.9
316.02039	2.2
316.05484	5.7
329.10281	15.5
329.13666	2.5
345.31223	2.1
359.15039	3.3
373.26022	6.0
391.27023	2.7
399.28949	2.6
445.29547	11.2
477.10263	2.1
479.08249	3.2
480.08917	8.6
481.35541	5.0
508.29651	2.1
555.18439	5.2
625.19958	2.2
643.20166	100.0
644.20636	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22129	1.2
57.09676	1.2
59.01385	23.7
61.98844	2.5
67.01887	1.5
71.01386	8.4
71.29490	1.7
72.99303	2.6
77.40357	1.2
79.01891	1.6
79.60357	1.2
83.01373	1.5
85.02964	3.6
87.00857	1.5
89.02444	3.5
93.03469	3.8
95.01375	4.6
97.02969	1.6
99.04581	1.4
101.02460	5.9
107.01393	3.7
108.02182	3.4
109.02959	4.1
111.00886	3.0
113.02464	3.6
121.02961	8.3
123.00879	15.4
123.04562	2.2
124.01685	4.6
125.02461	19.9
133.02963	11.5
134.03751	4.7
135.04546	8.6
136.98866	1.3
137.02444	9.1
138.03218	5.4
139.00394	5.1
139.04047	2.6
140.01147	2.7
148.05295	2.7
149.02505	2.9
149.06041	2.4
150.03270	1.5
151.00406	4.4
153.01978	2.1
161.02438	22.1
161.04608	1.3
161.06084	1.8
164.04819	6.8
165.05531	2.6
168.00615	3.2
169.01424	13.7
175.07793	1.4
178.02670	1.4
179.03525	4.7
179.07103	2.8
181.05089	2.2
183.06659	1.4
195.06551	1.2
205.08607	1.6
211.02528	2.1
211.09811	2.1
227.12914	7.6
255.06602	1.4
269.08151	1.5
281.06650	2.0
283.09811	3.6
296.10583	2.9
297.11334	1.6
299.99191	3.8
300.02856	1.7
301.03732	2.3
301.10782	1.5
311.12891	1.5
314.11652	4.6
315.01437	3.0
315.12354	2.9
323.07736	5.4
329.14005	10.4
355.14255	2.3
373.15256	1.9
461.10889	16.7
462.11575	11.3
463.12265	5.5
476.17203	4.0
477.18042	1.8
481.23154	1.6
491.19238	44.6
491.26065	2.5
492.19620	4.2
625.19495	2.6
625.28699	2.9
643.20313	100.0
643.29657	9.5
644.20923	14.7
644.30475	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07639	0.3
59.01384	2.4
60.38762	0.3
65.43587	0.3
69.03473	0.4
69.64945	1.0
71.01389	0.8
73.02960	0.4
80.80013	0.3
81.03477	0.8
83.01420	0.4
83.05035	1.1
85.02963	0.4
89.02451	1.1
96.96063	0.3
98.22627	0.3
101.02464	0.7
105.25310	0.3
106.33428	0.3
108.02186	52.9
109.02436	0.6
111.00892	0.5
113.02457	0.7
118.06968	0.3
121.02979	0.5
123.04539	34.3
124.04879	0.9
125.02462	0.4
134.03847	0.5
135.04530	0.9
137.02498	0.8
139.11200	0.4
147.04558	0.9
149.02496	0.4
149.06062	0.4
150.03195	0.5
151.03976	0.4
153.12891	0.4
158.47606	0.3
161.04526	0.5
162.03273	0.7
163.04028	28.4
163.11359	0.4
164.04518	1.1
165.12895	0.7
169.12337	2.4
171.10289	0.6
176.01154	1.1
177.01808	0.5
179.03471	0.4
183.10338	0.6
191.03519	88.0
192.03853	4.1
196.03712	2.0
197.11848	27.5
198.12202	1.0
199.13454	0.4
207.10268	0.4
209.11845	23.5
210.12244	0.7
211.13391	0.6
218.15057	0.4
225.11462	0.5
227.12947	3.3
235.08263	0.7
253.09372	2.5
271.09775	0.5
282.05435	0.9
299.09418	0.7
315.08774	100.0
316.09094	8.3
322.30115	0.3
327.12512	0.4
428.50858	0.3
433.20520	1.0
451.25793	0.3
466.56274	0.4
643.22009	0.7
643.36261	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	643.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.1
60.38767	0.8
61.01147	0.5
61.98853	1.0
69.06238	4.0
71.01404	1.0
72.27765	0.5
83.05038	0.8
89.02442	0.6
90.11002	0.5
93.05329	0.5
97.02999	0.5
98.03276	0.5
98.21771	0.7
101.02467	1.0
108.02186	45.1
109.02424	1.0
109.03050	0.8
111.00865	0.7
113.02455	0.6
116.92909	0.5
118.32438	0.5
119.05049	1.0
121.03054	0.8
123.00890	0.6
123.04537	33.7
124.04881	1.0
125.02483	1.2
135.04498	1.4
137.02498	1.3
147.04565	0.9
150.03282	0.6
151.04088	0.6
162.03235	0.9
163.04033	31.6
164.04594	1.1
165.01979	0.8
176.01151	1.0
177.01868	0.7
191.03525	94.0
192.03876	4.0
196.03816	4.0
197.11859	6.0
199.13434	0.9
209.08102	0.6
209.11827	5.2
211.13364	0.9
212.13757	0.7
219.02525	0.6
227.12976	1.6
234.81665	0.6
299.09167	1.0
300.06442	0.6
314.07974	1.6
315.08762	100.0
316.09036	7.4
319.22687	1.2
327.12482	1.0
507.95108	0.7
631.06854	0.6
643.21106	0.9
643.36194	1.9
644.36261	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.225
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	8.9
61.74192	0.7
61.98819	3.6
71.01389	10.9
72.99317	1.1
73.02952	2.3
74.99107	1.1
81.03471	1.4
83.01408	1.1
85.02956	5.6
87.00877	2.8
89.02458	3.9
93.03464	1.5
95.01402	2.7
96.96037	3.7
101.02459	5.1
102.98674	1.0
108.02181	60.9
109.02968	42.4
109.03719	1.9
113.02448	3.6
114.42826	0.8
116.92862	2.7
119.03490	1.1
120.99677	3.4
121.02946	2.4
123.00901	2.3
123.04505	2.3
125.02466	2.9
133.03026	0.8
134.03716	0.8
135.04492	0.8
135.35838	0.8
136.99113	1.3
137.02457	1.8
139.04027	1.0
149.02435	1.6
149.06024	1.0
151.03987	2.3
152.01164	64.7
153.01953	25.5
161.04605	1.3
163.04002	1.6
164.04791	1.4
165.01955	1.4
165.05530	1.2
165.09296	0.8
167.03568	0.9
167.10742	0.9
169.01581	1.2
179.07216	1.3
205.42592	0.8
225.08112	0.9
249.06326	0.9
295.09869	0.9
297.06329	0.9
305.41507	0.8
315.07239	1.8
449.11310	0.9
465.17786	7.9
466.18024	1.1
481.15274	1.4
526.88477	0.9
643.22504	100.0
644.22687	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	643.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	14.3
62.07449	0.6
66.33510	0.8
68.99809	0.7
71.01385	8.6
72.99297	0.8
73.02917	2.8
83.01364	2.5
85.02921	3.4
93.03465	35.5
94.03767	1.2
95.01366	1.8
96.95982	1.8
96.99285	1.1
99.00881	1.2
101.02445	7.1
108.02189	8.0
109.02986	5.8
113.02469	3.9
116.92870	1.2
119.05045	1.0
121.02169	1.1
121.02966	12.4
122.03766	7.3
123.04488	2.6
125.02408	2.3
134.03682	0.9
135.04494	2.3
136.01602	2.5
137.02452	63.3
138.02780	2.9
147.04503	6.1
149.06067	1.1
151.04037	1.7
152.01180	5.5
153.01913	1.2
154.02713	1.3
161.06094	1.0
163.04007	0.9
165.01874	1.0
165.05582	16.7
166.05852	0.8
169.01340	2.8
171.17270	0.7
179.03477	5.2
179.07130	5.9
185.22160	0.8
194.05849	5.4
195.06563	1.0
209.08215	13.5
221.04526	1.2
281.06683	100.0
282.07062	6.2
285.04092	1.0
285.43515	0.8
315.12292	1.3
346.14105	6.1
347.15009	10.9
348.15445	1.1
361.16595	24.3
362.16962	1.9
375.90387	0.9
421.18811	2.2
507.11813	1.4
562.81555	0.8
613.15039	1.0
625.15753	3.2
643.16162	2.7
643.24188	42.8
644.24426	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	643.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14956	1.4
59.01384	7.4
61.27458	1.4
61.98812	3.8
71.01372	4.6
71.28679	1.6
75.07871	1.5
79.95094	1.3
85.02939	1.4
85.63604	1.3
87.18930	1.3
89.02455	2.3
90.45665	1.5
93.03454	2.8
96.96030	1.7
101.02431	1.9
108.02166	5.4
109.02953	4.3
113.02448	1.6
121.02975	7.0
122.03777	1.5
123.00880	7.4
123.04530	5.3
124.01678	6.8
124.55371	1.3
125.02465	6.5
133.02975	15.8
134.03746	6.1
135.04533	24.8
137.02502	8.0
138.03236	2.6
139.04010	6.1
145.02927	2.6
148.05296	1.4
149.01282	2.6
149.02441	41.7
149.06007	1.6
150.02931	2.3
151.00409	2.2
151.04060	3.0
153.01955	2.3
161.02452	48.7
162.02800	1.9
163.04074	2.7
164.04803	100.0
165.05334	4.2
168.00688	1.5
169.01379	5.6
177.05507	2.8
178.02678	2.8
179.03572	10.5
179.07143	80.3
180.07484	5.1
183.10294	2.0
183.68941	1.5
203.07207	1.2
221.04478	3.0
225.05580	1.4
239.07205	2.4
240.07861	5.0
242.45439	1.3
251.07143	6.3
252.07883	4.9
253.05058	2.8
253.08490	1.8
258.01642	2.3
265.43564	1.8
266.05826	2.1
267.06638	10.4
268.07376	39.5
269.07715	4.0
270.98822	13.5
271.02307	4.2
271.04959	1.8
283.09793	22.5
283.99640	2.2
285.00394	3.3
286.01175	2.7
298.98340	21.9
299.99078	3.0
300.02704	5.1
301.00238	2.3
301.03543	10.0
301.10837	60.2
302.11053	4.9
313.00003	7.8
314.00714	17.3
315.01166	2.3
323.07819	9.3
355.37701	1.8
371.24277	1.6
389.25272	2.3
462.11884	2.1
463.12366	38.3
463.17020	2.3
464.12766	4.7
481.18701	28.4
482.18835	4.2
503.15381	1.6
581.22321	1.8
599.18964	2.2
610.83563	1.5
615.96313	1.5
643.17706	37.7
643.29620	3.5
644.17499	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	643.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	5.1
61.98838	4.9
67.01893	1.7
69.04321	3.0
69.04743	2.1
71.01384	1.0
81.03474	1.0
81.34420	0.6
83.01413	0.7
88.98804	1.0
93.03487	1.0
96.95991	0.9
105.62331	0.7
107.01424	1.6
108.02190	2.0
109.02965	5.1
111.00941	0.7
112.98436	0.6
116.92907	0.9
121.02959	1.5
123.00896	2.1
123.04522	1.7
125.02457	5.4
125.05359	0.6
135.04533	1.4
136.01671	2.1
137.02469	29.9
137.05977	0.7
138.03032	0.9
139.00311	0.9
139.04036	1.0
143.20592	0.7
149.02443	1.2
149.06107	1.1
150.03236	3.3
151.00406	7.7
151.04021	4.9
152.01111	3.1
152.04784	1.7
153.01852	0.8
159.04564	0.7
161.02492	0.9
163.03990	1.0
164.01152	3.1
164.04898	1.0
165.01952	100.0
165.05591	4.1
166.02727	15.9
167.03479	5.0
169.01482	6.0
176.04810	0.6
177.01971	1.5
177.05585	1.6
178.02704	0.6
179.03517	21.8
179.07048	0.9
180.04298	56.1
181.05081	21.7
182.05469	1.2
183.51044	0.7
184.03795	1.2
187.04002	1.8
190.02605	0.7
191.03485	1.0
192.04285	1.0
193.05136	1.6
194.05867	4.3
195.02933	2.6
195.06641	72.0
196.06973	3.7
205.05119	5.0
207.06709	0.8
210.05356	10.0
211.05980	0.8
219.06561	0.7
220.07474	3.0
225.07704	51.3
226.08047	2.8
235.09698	0.9
281.05127	0.6
282.05200	0.7
299.99194	2.4
300.99896	0.8
301.03448	0.8
301.06921	0.7
312.06763	0.8
313.05554	0.9
329.13785	1.0
359.11359	2.2
361.07654	0.7
371.11597	0.9
372.12088	1.2
386.13797	1.1
387.10602	2.6
387.14880	6.0
402.13153	1.6
403.14005	2.2
410.30838	0.6
416.14819	1.5
417.15570	24.5
418.15939	2.4
450.95160	0.7
471.50870	0.6
565.19672	2.6
567.55396	0.7
577.20917	0.8
595.21857	40.0
596.22192	5.3
643.17303	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40619	0.3
57.01542	0.3
59.01373	1.4
61.98839	2.8
65.03947	0.5
69.06285	2.5
71.01364	0.6
78.05549	0.3
85.02972	0.6
93.03466	47.4
94.03793	0.8
96.96006	0.4
98.07799	0.3
99.92581	0.6
107.01408	0.4
108.02231	0.5
109.02940	0.9
113.02448	0.6
116.92870	3.7
121.02953	1.4
122.03733	0.4
123.00892	1.1
123.04529	0.4
125.02451	2.6
137.02457	100.0
138.02791	3.4
139.00385	0.8
147.04579	0.4
149.06071	0.6
150.03246	1.2
150.06909	0.5
151.00336	0.5
151.03951	0.6
161.02483	0.8
165.01872	0.4
165.05534	1.8
167.03453	0.4
168.00647	0.5
169.01434	2.5
179.07301	0.3
195.06697	0.8
201.86229	0.3
243.06656	1.0
281.06717	4.2
282.07367	0.4
299.99213	1.4
313.05624	0.5
315.01367	1.0
323.24841	0.3
361.16580	1.2
369.13843	0.4
373.03268	0.3
462.84897	0.3
473.91629	0.4
481.19019	1.1
491.29013	0.4
551.21484	0.5
563.21368	4.5
581.21869	0.4
643.19702	1.8
643.29425	1.0
643.37543	0.7
644.21368	0.4
667.58392	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98831	5.1
71.01388	1.6
71.29669	1.4
85.75813	1.2
88.98822	1.2
96.95987	1.9
99.92593	3.7
101.02448	1.4
107.01420	2.2
108.02164	3.8
109.02951	11.0
116.92873	21.4
123.00903	3.6
123.04549	2.9
125.02461	14.9
134.02393	1.3
135.04474	2.1
137.02455	5.1
138.03284	1.5
139.03961	1.2
140.01155	2.2
149.06107	1.3
150.03355	1.3
151.00395	2.4
151.04106	6.1
152.01141	3.7
153.01935	5.9
153.05606	2.6
153.29796	1.2
163.04019	1.8
165.01965	1.2
165.05608	1.6
167.03517	3.4
168.00664	1.7
169.01465	14.9
179.03516	28.9
181.05052	1.9
182.05841	1.9
192.04208	1.1
192.76001	1.3
193.01489	1.3
194.05850	33.7
195.06273	1.6
197.08267	1.9
207.06708	1.5
209.08211	60.2
210.08485	3.7
211.09755	4.2
223.06096	3.1
243.06598	1.4
270.98975	2.2
271.02335	1.5
284.03262	1.2
289.07104	1.7
298.98279	2.9
299.99240	2.1
300.02679	2.4
301.00021	2.9
301.03497	1.3
313.05728	6.2
314.00665	5.4
329.03064	4.7
336.37735	1.2
393.36771	1.1
419.17529	1.4
421.18680	14.8
421.27335	1.3
543.95569	1.4
599.17773	5.2
643.19360	10.9
644.17914	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	643.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05159	0.3
59.01383	100.0
60.01725	0.6
61.98825	1.0
65.63684	0.4
71.01382	0.5
74.72842	0.3
88.98802	0.5
91.44285	0.3
96.95947	0.3
98.22542	0.6
101.02447	0.5
113.07705	0.4
120.99663	1.3
123.19578	0.3
125.02467	0.9
137.02399	0.5
144.16759	0.3
151.04018	0.8
153.05629	0.7
169.01540	0.6
179.48019	0.3
181.05080	16.2
182.05351	0.6
196.07414	22.6
197.07745	1.2
209.08374	0.4
211.09766	59.1
212.10081	2.5
227.59076	0.4
231.19142	0.4
255.02953	0.5
265.71310	0.4
265.86203	0.3
270.98697	0.8
298.98376	2.0
299.99014	0.4
312.99789	0.4
314.00668	1.5
329.03082	2.7
421.18680	18.8
422.19247	1.6
428.96701	0.4
590.57068	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02672	0.5
51.59689	0.5
59.01385	100.0
60.01731	0.9
61.98847	0.9
70.39035	0.9
70.39431	0.7
71.01377	0.7
72.72131	0.6
88.98771	0.5
93.03462	0.8
95.12075	0.5
96.96011	1.3
98.60075	0.6
99.92599	1.3
107.01422	1.0
108.02175	3.2
109.02964	3.5
116.92876	10.1
117.92877	0.7
123.00898	0.6
123.04514	1.5
125.02438	3.0
134.03732	0.5
137.02455	2.6
140.00992	0.5
151.00403	0.8
151.04016	3.7
152.01155	3.4
153.01933	3.0
161.02466	0.5
164.01210	0.6
165.05637	1.1
167.03487	0.7
169.01448	2.0
174.61087	0.5
179.03514	33.6
180.03857	1.5
181.05069	0.8
194.05852	36.0
195.06174	2.4
196.07401	1.8
205.22441	0.5
209.08206	88.7
210.08551	4.4
211.09731	6.0
227.03326	0.8
268.60431	0.7
298.98294	0.6
299.99222	0.6
300.99521	0.5
313.05664	1.4
328.60287	0.5
329.02954	0.6
421.18735	15.6
422.19003	1.8
556.39813	0.5
613.15533	1.0
625.15179	1.8
643.17682	3.9
643.27606	0.6
644.17822	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.0
61.98829	9.8
70.79156	4.9
80.05049	3.1
94.06635	4.1
96.96020	2.7
106.06618	2.3
107.01435	2.2
107.03802	9.3
120.08201	28.3
122.06136	89.9
123.00888	2.4
125.02438	16.4
132.04556	3.6
134.06136	9.8
139.02762	3.9
149.06090	26.6
150.05588	2.6
151.00368	3.6
152.07182	92.3
164.07100	4.4
167.03516	2.8
169.01416	22.3
190.05139	3.7
209.19543	2.0
211.12201	4.2
219.79358	2.1
223.08760	7.5
224.09477	4.2
225.10316	3.2
235.12221	3.6
237.10347	15.2
238.10983	4.2
239.11897	9.9
245.12872	4.5
249.06754	2.3
251.08246	4.0
251.11877	6.9
258.04565	2.2
263.08328	6.3
264.08987	10.6
265.09766	8.6
267.11270	2.4
271.10931	3.3
277.09888	2.9
278.10681	4.6
279.11450	44.2
280.11853	6.1
281.13174	2.3
286.78485	2.0
291.11438	9.7
292.12061	2.7
295.10791	7.4
295.14038	3.2
311.13721	2.4
313.05756	5.3
323.10272	9.6
325.11566	3.8
326.12650	2.1
355.13153	3.5
360.17432	2.3
402.18292	13.2
403.18610	4.7
404.19534	2.7
414.18411	2.8
430.17661	2.4
443.88693	2.3
444.19342	15.6
445.19897	3.4
448.18787	6.8
461.19257	3.4
488.18182	30.2
489.18997	19.6
490.19257	3.8
493.13528	8.8
520.20929	47.6
521.21063	6.4
525.24561	3.2
567.26123	36.3
568.26123	8.0
611.25159	100.0
612.25348	15.5
643.18280	19.0
643.29474	22.0
644.28900	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	643.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42609	0.8
57.03455	1.3
59.01383	62.8
61.98837	2.3
69.23472	4.7
70.91246	1.0
71.01389	4.5
73.02959	2.6
80.02687	0.9
83.01407	0.9
85.02965	1.9
88.98804	1.5
89.02482	1.6
92.98809	1.1
93.03483	1.8
95.01423	1.1
98.21790	2.1
98.91558	1.0
101.02466	2.2
105.11469	1.1
108.02170	1.2
109.02972	1.7
113.02483	1.9
115.27945	1.0
116.92898	1.0
121.02973	8.4
123.00880	1.3
123.04527	1.4
125.02441	1.4
135.04565	1.7
137.02467	4.9
139.00363	1.4
139.11302	27.5
141.37419	0.8
151.03984	1.1
152.01242	1.0
153.01974	1.9
161.04630	1.4
163.11273	1.6
165.01961	3.5
165.09225	1.7
166.06364	47.1
167.06932	2.0
174.72818	1.0
181.08731	24.2
181.12329	6.5
182.09077	1.4
183.10274	40.6
207.10527	1.1
209.08189	1.1
209.11789	4.3
225.11299	4.9
227.12839	1.7
243.12447	3.1
281.06778	1.9
379.98944	1.1
400.28741	1.0
442.00684	1.1
461.10757	2.1
625.28589	5.4
626.28888	1.1
643.29688	100.0
644.29938	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	643.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.4
61.98814	4.6
69.03449	1.5
69.31568	2.0
96.74328	1.4
97.02928	1.8
98.21719	3.2
99.92606	2.0
106.15477	1.4
111.08172	1.6
115.00429	1.7
115.92071	5.8
116.92857	11.8
117.92884	4.0
118.92724	2.4
125.09743	2.9
133.01416	1.7
134.76550	1.5
134.89453	2.7
157.01411	2.1
158.84705	1.9
208.51796	1.6
230.01169	2.2
266.33728	1.7
266.44617	1.4
421.31372	3.4
439.32358	3.0
441.33832	10.6
442.34229	1.7
455.30362	1.8
485.32529	10.1
486.32956	2.7
643.31628	100.0
644.32153	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74804	0.4
56.41752	0.3
57.03453	0.4
59.01380	4.9
61.43019	0.3
61.98813	1.1
64.39631	0.3
69.03438	0.6
71.01388	2.8
71.04994	0.3
73.02912	0.4
80.02668	1.1
80.99217	0.3
81.03438	1.2
83.01380	0.6
83.05030	4.2
84.02156	0.8
85.02936	0.9
87.00860	0.5
89.02441	2.3
95.04996	0.5
97.02946	0.7
97.06557	0.4
101.02457	2.0
108.02185	3.4
108.42042	0.3
111.00880	0.3
113.02436	1.2
115.18794	0.3
116.92809	0.4
119.03487	0.7
123.04523	2.3
125.02425	0.3
125.06065	0.5
127.11288	0.4
135.04504	1.0
135.08165	0.7
137.02419	0.5
139.00368	0.3
139.11302	0.5
143.03441	0.3
153.12822	1.2
161.04526	0.8
163.03993	2.2
163.11304	3.5
165.12837	1.4
169.12343	3.8
171.10269	1.3
179.03528	0.7
179.10817	0.6
181.12320	0.7
183.10258	0.6
191.03499	5.7
191.10741	1.0
192.03926	0.3
197.11835	65.0
198.12186	2.8
199.13347	0.5
203.04585	0.3
204.27708	0.3
207.10237	0.3
209.11835	100.0
210.12160	5.4
223.13525	0.4
224.14282	0.3
227.12903	11.5
228.13126	0.6
235.08153	2.3
235.13341	0.7
253.09286	8.3
253.11778	0.6
299.09149	0.8
315.08765	7.9
315.12387	0.4
316.09058	0.5
327.87039	0.3
371.22400	0.5
389.23419	0.9
433.20786	1.2
445.20563	1.6
465.87650	0.3
481.18918	0.5
499.61508	0.3
607.31097	0.6
625.32642	0.9
643.22778	0.5
643.36243	2.4
644.37079	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	3.4
59.01369	0.9
68.99807	1.2
69.09850	3.4
69.10259	2.8
71.01373	1.1
71.04995	2.0
73.02935	1.4
81.07121	1.4
83.01401	1.8
83.05030	2.5
85.02969	1.3
87.04523	4.2
95.05027	1.2
99.08148	1.5
101.06069	6.3
107.05007	1.4
109.02966	4.2
109.06601	1.9
111.00860	2.3
111.04518	2.8
111.08154	1.4
113.09733	12.1
121.06604	1.8
123.04532	3.2
123.08157	3.6
125.02454	1.5
125.06094	86.7
126.06395	1.5
127.07657	0.9
135.08115	1.0
137.02432	3.2
137.09738	1.9
138.03275	1.8
139.07715	1.0
149.09706	1.1
151.04053	0.9
153.01880	2.4
153.09206	1.8
154.02727	1.1
154.06361	5.7
154.68471	1.0
155.07126	1.3
163.07620	1.7
165.01872	1.4
165.05568	4.2
165.09172	1.7
166.02718	6.5
166.06361	1.8
167.07112	1.5
167.10768	1.1
175.07523	1.0
177.12807	1.2
181.08717	100.0
182.09087	4.2
183.06638	3.8
191.10797	2.3
193.05038	1.8
193.08711	12.7
195.06508	1.3
205.12207	0.9
207.06651	2.7
207.10234	7.3
208.10693	0.8
209.08150	2.1
219.10248	2.0
221.06029	1.9
221.08194	30.9
222.08931	9.7
222.65163	0.8
223.09729	2.7
231.17555	1.0
233.08264	2.1
235.09763	20.6
236.10321	2.2
237.07671	15.5
237.11299	1.7
237.15050	0.9
239.12851	1.8
247.09706	2.7
247.13362	1.9
249.11336	1.4
261.11331	1.9
261.14932	1.6
275.12796	2.0
279.16122	1.1
291.12418	10.9
292.12625	1.3
293.17572	1.9
323.15042	3.2
342.95981	0.8
345.17075	1.3
349.16586	2.0
391.21164	1.7
392.21515	2.5
393.18710	4.1
403.21405	1.4
407.20767	98.4
408.21085	7.0
461.25537	25.0
462.25891	2.5
541.24573	1.1
629.24066	1.0
643.34827	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	643.3987
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23398	23.8
61.98824	40.3
78.95907	45.0
87.74844	20.8
99.92585	41.7
116.92845	51.0
120.05482	27.5
125.06133	45.6
131.88852	21.6
150.85780	25.0
152.99628	24.2
165.85355	27.3
181.08641	30.2
210.55408	27.0
251.29919	22.4
272.78571	25.3
349.84814	26.0
363.12250	26.9
407.20792	43.4
415.91785	26.5
643.39276	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	643.4427
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	4.3
69.36007	3.9
81.03452	1.1
83.05034	7.9
97.06581	5.1
108.13614	0.6
109.06586	2.2
111.08169	35.4
112.08494	1.1
113.09721	1.0
116.92854	2.2
123.08160	2.4
125.09729	28.7
126.10078	1.2
127.11268	1.4
127.93262	0.6
129.09230	1.5
135.85733	0.7
139.11287	1.0
141.09164	0.6
143.10788	0.7
153.86481	0.6
155.10753	0.7
157.12433	0.7
159.10269	7.4
160.10567	0.6
161.02470	0.8
169.08652	0.9
171.10338	1.1
173.08209	15.1
173.11827	12.1
181.08707	3.1
187.09755	10.7
188.43996	0.6
195.06599	1.2
209.08244	2.1
295.22946	1.1
311.18982	0.7
311.22473	0.7
313.23843	8.1
329.19687	1.2
329.23349	0.7
331.24911	13.4
332.25403	0.9
365.19815	1.5
379.21368	1.7
407.16855	1.0
469.31525	1.0
473.35004	1.8
487.36597	1.7
501.33801	0.9
517.95752	0.7
643.44287	100.0
644.44543	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56036	0.2
54.81882	0.2
59.01381	0.5
61.93585	0.2
61.98835	100.0
79.12012	0.2
93.03488	0.8
96.96033	0.2
107.01421	0.4
109.89629	0.3
116.43147	0.3
123.00893	0.3
125.02506	0.9
137.02470	2.9
138.02867	0.5
147.03830	0.2
153.01971	0.3
165.01997	0.3
166.02672	0.3
169.01463	0.9
179.03468	0.3
181.05145	0.3
243.06549	0.4
270.98923	0.3
299.99030	1.5
300.99484	1.2
315.01511	1.0
316.01984	0.7
334.23489	0.3
431.68253	0.3
480.63721	0.2
505.93716	0.3
532.14056	0.3
644.16864	1.8
645.31866	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01086	2.1
59.01387	3.4
61.98833	27.9
69.09427	14.1
71.01387	5.5
73.02939	3.1
79.01907	2.8
85.02983	3.3
93.03465	53.4
94.03785	10.9
95.01422	2.1
96.96031	3.3
98.22528	4.9
101.02450	3.4
107.01370	4.8
109.65639	2.1
111.00882	5.5
123.00891	13.6
125.02475	18.6
137.02458	90.9
138.02791	25.5
139.00366	5.9
139.03940	2.1
140.01184	4.2
151.00365	10.2
165.02000	3.6
165.05568	3.2
166.05762	2.0
166.30258	2.0
167.03593	2.6
168.00636	9.6
169.01427	22.0
170.01685	2.3
177.77821	2.4
180.04295	2.1
183.03041	3.4
233.52902	1.9
281.06619	3.9
300.99933	2.0
314.59747	2.0
397.18481	3.2
477.18869	2.6
519.18835	4.6
551.20996	6.3
563.21356	100.0
564.21893	10.3
581.22760	4.1
644.20123	5.8
663.75104	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	644.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46233	4.0
56.32881	4.2
59.01376	4.1
59.65351	4.3
61.98833	39.8
70.56252	10.5
71.01393	6.1
74.84274	4.6
77.91799	3.7
90.46861	4.7
99.98804	4.1
101.02450	4.1
107.01414	6.5
110.79334	4.1
111.00876	6.1
123.00896	19.2
125.02457	23.7
136.05495	5.2
136.98833	4.2
137.02443	12.1
137.52995	3.7
139.00343	5.3
149.06038	6.4
151.00388	9.9
165.01968	20.7
165.08963	4.1
167.03400	4.3
168.00629	9.8
169.01445	25.1
180.04190	11.7
181.04953	6.3
183.02988	5.1
190.61456	3.8
195.06616	16.3
196.07111	4.5
225.07643	12.6
335.72693	4.0
481.35391	6.4
519.18799	7.5
551.21375	7.3
563.21338	100.0
564.21472	9.9
581.22394	7.3
620.68713	5.3
644.20178	13.6
645.19366	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	645.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.1
59.01657	0.9
67.01878	1.6
69.03445	1.5
71.01377	3.9
72.99299	1.3
73.02951	1.9
83.01392	1.4
85.02939	2.7
87.00874	1.7
95.01386	2.3
97.02950	1.4
101.02441	3.1
107.01403	11.3
111.00911	3.5
113.02423	2.0
116.57390	0.9
123.00898	13.0
124.01664	3.0
125.02454	69.6
126.02787	2.2
127.00436	1.0
136.98801	1.5
137.02409	1.1
139.00415	4.9
140.01190	3.7
141.01965	1.4
151.00386	8.2
165.01938	1.8
168.00629	9.0
169.01437	100.0
170.01805	3.5
179.03426	1.1
181.01497	2.2
192.82448	0.9
193.01459	3.4
211.02498	23.3
223.02472	1.3
241.03674	1.8
253.03584	2.4
271.04596	21.4
287.49829	1.0
295.04492	1.9
313.05627	9.8
331.06735	3.7
352.14374	1.0
355.06787	3.5
373.07782	36.0
374.08026	2.3
403.04352	1.0
403.08875	4.4
423.05795	5.0
433.09802	3.6
465.06616	1.4
483.07797	8.2
493.12347	1.7
525.08826	28.0
525.16742	1.7
526.09552	2.1
555.09943	32.7
556.10376	3.2
585.11005	62.5
586.11102	6.8
609.11066	3.7
627.12231	3.5
645.13068	55.4
646.13312	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	645.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69284	0.9
56.56509	1.0
58.19323	0.8
59.01373	2.7
61.98874	0.8
63.11283	0.9
67.01915	1.1
69.03440	1.7
70.41481	1.7
71.01376	5.3
73.02940	2.5
83.01360	1.5
85.02949	1.7
87.00848	1.5
87.41503	0.9
89.02472	1.4
95.01396	1.9
97.02948	2.5
101.02436	4.5
105.45451	1.0
107.01412	8.9
109.02983	0.9
111.00889	2.3
113.02454	2.4
121.02933	1.4
123.00917	11.6
124.01700	2.5
125.02454	68.5
126.02746	1.2
127.00480	1.0
127.46423	0.8
136.98965	1.1
137.02473	3.4
139.00369	5.8
140.01160	4.6
141.01962	2.0
149.02499	1.0
150.03302	1.1
151.00377	8.5
156.96953	0.8
161.02411	1.0
163.03960	0.9
165.01923	1.1
165.05550	1.2
166.99965	1.7
167.03488	1.8
168.00648	10.7
169.01433	100.0
170.01765	3.5
179.03610	1.5
181.01410	2.3
193.01379	4.2
193.05064	1.1
204.51839	0.9
205.05139	0.9
211.02501	21.7
223.02428	1.2
235.02400	1.0
237.04163	1.3
241.03519	1.6
253.03606	2.5
271.04572	16.7
275.01825	1.2
280.51022	1.3
295.04495	1.9
300.99826	1.1
313.05682	9.5
331.06662	2.7
355.06763	4.1
373.07776	26.7
374.08087	1.7
399.17804	1.3
423.05542	7.2
433.09885	2.1
465.06967	1.1
483.07794	22.8
484.08115	2.1
493.11960	2.7
525.08832	13.0
526.09222	1.2
555.09955	4.9
567.10004	2.6
585.11011	46.6
586.11786	4.5
645.13074	80.9
646.13452	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	645.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71634	0.7
59.01394	0.9
59.14386	0.7
61.98827	3.6
67.43450	0.6
68.98193	3.6
68.98612	2.6
86.30513	0.6
93.03506	1.4
96.96059	1.2
98.22513	1.8
109.02967	1.6
116.92895	1.0
123.00883	1.3
123.04501	1.3
125.02446	4.4
137.02473	2.9
139.04013	0.8
149.02400	1.1
151.00441	1.5
151.03999	1.7
152.01106	0.9
153.01912	1.4
165.01942	2.3
167.03485	1.4
169.01433	2.9
172.01666	0.9
177.01958	1.3
179.03564	1.5
185.02524	1.3
191.03426	0.7
195.06578	1.2
200.01163	0.9
201.02003	1.1
216.00632	1.5
229.01369	2.6
242.99101	0.9
243.06680	0.8
244.00151	2.7
257.00943	1.0
271.99564	1.6
283.99612	1.3
298.98346	1.4
299.99127	48.6
300.99905	100.0
302.00317	4.9
303.05408	1.0
645.14447	37.8
646.14807	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	645.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98026	5.7
59.01377	10.6
61.98830	6.2
63.96225	3.8
64.81807	2.7
69.07278	20.7
69.07604	4.1
71.01379	13.2
72.99323	3.8
73.02950	2.9
73.98318	5.8
74.99100	35.5
75.00853	3.3
78.42766	2.5
81.03442	2.4
85.02944	7.4
87.00883	73.9
89.02451	3.3
93.03479	3.8
95.01392	2.7
101.02444	5.5
108.02177	4.0
109.02980	6.3
111.00872	2.9
113.02438	8.6
117.00195	2.8
117.97353	5.4
118.98093	5.4
120.99668	3.8
121.02953	20.3
121.79810	2.4
122.03743	10.4
123.00900	6.1
123.04542	53.9
123.35226	2.4
123.99882	3.3
124.01611	3.1
125.02457	16.2
135.04536	9.4
136.01665	3.6
137.02449	12.4
137.06142	4.1
137.25760	2.4
139.04008	3.7
145.02924	5.7
147.04573	2.7
149.02457	7.6
149.06071	9.1
150.03236	6.5
151.04013	20.6
151.99365	10.1
153.00145	22.6
153.01945	6.7
154.00925	3.0
162.03220	5.2
163.03999	17.6
164.04794	22.2
165.01930	24.5
165.05530	10.7
166.02753	11.9
167.03491	4.8
168.00685	3.9
169.01387	13.7
179.01776	3.6
179.07114	5.2
180.04276	10.3
181.05078	29.3
194.05890	2.5
195.06618	7.5
196.02028	27.2
197.02782	100.0
197.04593	4.9
225.07770	7.6
228.06427	3.5
241.05432	7.7
244.39368	2.7
249.06133	67.8
250.06529	3.7
255.56586	2.4
289.07101	5.8
377.10666	31.1
395.12155	2.9
397.66266	2.6
421.13239	6.9
423.16623	43.6
424.17023	4.2
437.18533	3.6
465.12250	64.4
466.12582	9.9
645.17596	49.9
646.19098	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	645.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.0
59.01376	2.7
61.98829	2.2
65.00307	1.5
66.83989	1.0
66.98563	0.9
69.00001	9.7
70.45519	0.9
71.01386	3.2
71.05025	17.7
71.84134	1.0
77.03961	1.4
79.01879	4.5
81.03439	1.0
83.01389	1.2
89.02491	1.0
92.35680	1.0
95.05039	1.9
96.96025	4.3
97.02970	7.7
98.07993	1.1
98.21819	1.9
101.02509	1.4
106.08535	0.9
107.23204	1.0
108.02198	2.8
109.02933	5.3
111.00896	1.4
113.02430	1.1
121.02951	12.0
123.00847	1.5
123.04525	8.0
125.02523	1.9
125.06116	1.1
137.02438	5.1
138.03244	4.0
139.04024	100.0
140.04364	3.0
147.04535	1.1
149.02423	8.0
150.03239	1.5
151.04024	8.0
161.02434	2.4
161.04523	1.1
163.04010	1.8
164.04802	2.5
165.01936	22.8
166.02753	12.9
167.03503	20.9
169.01491	1.5
171.10258	1.7
174.03296	2.6
175.04030	13.0
177.01935	28.1
178.02264	2.0
179.03531	1.2
185.06024	1.1
188.04854	2.3
189.05612	3.6
190.02736	2.5
191.03479	2.5
193.01428	25.0
193.04985	1.8
195.03018	3.7
199.04037	5.0
199.09769	7.2
199.91486	1.0
201.01837	2.1
203.07175	2.3
209.11790	13.4
212.04845	1.5
213.05592	9.2
217.05087	2.6
227.07170	1.5
227.12930	3.6
231.06662	4.0
240.04314	1.2
243.02979	1.2
245.08176	1.9
255.06693	12.3
271.06174	3.1
273.07748	5.4
289.07169	9.3
299.05630	72.9
300.05917	5.5
317.06671	87.3
318.07135	7.4
371.24295	1.1
435.18686	1.8
461.10748	1.3
479.11722	1.7
509.07971	1.0
627.20282	1.3
645.21838	67.6
646.22211	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	645.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.4
56.46260	1.1
59.01373	7.9
61.98838	9.3
62.12225	1.2
65.00323	2.9
69.03426	1.3
70.42599	2.4
71.01383	6.0
71.05026	13.0
72.22584	1.1
72.99259	1.2
73.02960	1.4
77.03986	1.6
79.01885	4.8
81.03467	1.9
83.01387	2.7
88.98802	1.7
89.02438	3.6
93.03465	3.6
95.01405	2.0
95.05008	1.7
96.96004	1.8
97.02971	6.8
97.06625	1.3
98.22453	1.4
101.02460	2.7
105.03490	1.6
107.01370	2.0
108.02193	3.7
109.02956	4.8
109.06517	1.5
113.02439	2.2
119.03477	2.4
121.02966	12.1
122.06126	1.5
123.00868	3.3
123.04523	13.9
124.01660	1.2
125.02467	8.8
135.04539	2.1
136.07663	2.2
137.02460	8.0
138.03246	4.0
139.04027	83.2
140.04413	3.0
145.03020	1.3
149.02444	10.9
149.06073	1.2
150.03154	1.3
151.00380	3.0
151.04005	5.3
153.05548	1.8
155.10820	1.2
160.01651	1.8
161.02434	2.4
163.04025	4.3
164.04756	6.6
165.01947	30.8
166.02704	5.6
167.03505	36.7
169.01421	5.2
174.03319	1.7
175.04045	7.0
177.01961	18.6
179.03470	1.8
179.07159	3.5
181.05106	2.0
183.03020	1.8
185.05980	1.5
189.01897	2.9
189.05533	1.7
190.02747	2.2
191.03494	5.0
193.01418	22.3
195.03026	6.8
199.03999	3.8
199.09807	2.6
201.01976	1.8
203.07185	1.3
205.05170	1.7
209.11870	3.3
213.05621	6.3
214.12407	2.9
217.05159	2.3
227.07062	1.5
227.55695	1.4
231.06580	3.0
242.10570	2.3
255.06485	6.0
257.12952	18.8
258.13208	1.5
271.02469	2.9
271.06171	2.4
273.07672	4.6
287.15497	1.4
289.04166	2.1
289.07199	19.9
299.05618	46.5
299.09052	3.1
300.02936	2.2
300.06036	3.0
301.03424	5.3
301.11954	17.7
313.07150	4.2
317.06686	100.0
318.06940	8.9
329.10297	1.4
343.12674	1.3
445.29633	1.4
495.18738	5.6
521.16461	3.6
627.20551	1.2
645.17358	5.8
645.35028	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	645.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
71.28914	4.7
75.69511	3.7
89.22880	4.3
97.02943	7.7
103.12749	3.9
106.40507	4.3
110.00089	5.7
123.04538	6.2
125.02485	10.8
125.99606	5.6
137.02472	28.8
137.99582	12.0
147.49918	4.2
149.02484	11.6
151.03987	11.1
153.01955	82.7
153.22801	4.0
155.03537	8.4
164.04884	6.2
168.04301	73.0
169.01454	6.2
177.01952	50.7
178.02689	14.4
178.22563	4.3
179.03508	100.0
180.04028	5.1
192.04324	74.1
193.05006	12.2
194.05856	92.7
195.06438	7.0
207.06656	96.5
209.08195	54.5
210.08443	4.2
211.02505	9.0
212.02791	7.3
213.02953	4.6
213.07710	5.2
227.09143	7.0
239.39032	3.7
271.04645	13.5
272.04944	10.9
273.05066	11.5
361.12988	26.8
417.15579	11.6
645.16296	2.8
645.25592	67.3
646.25665	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	645.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	1.3
67.01918	1.5
69.54216	0.9
69.85392	0.8
71.29403	1.3
86.41698	0.8
97.03098	0.8
105.82071	0.8
106.55958	0.9
108.02151	1.0
109.02963	3.4
111.00898	1.2
115.39780	0.9
116.92896	1.1
123.00849	1.4
123.04564	1.2
124.01676	1.0
125.02471	5.7
136.01688	1.3
137.02455	20.4
139.04007	1.3
149.02493	1.2
150.03223	1.3
151.04033	2.1
152.01103	1.5
153.05617	1.4
154.46735	0.9
164.01254	1.2
165.01942	100.0
166.02362	3.7
167.03571	1.4
169.01437	3.5
177.02003	1.7
179.03505	13.9
180.04295	56.0
181.04771	2.1
194.05785	2.2
195.02963	2.7
195.06641	80.8
196.06966	3.5
210.05362	12.9
211.06039	1.3
225.07698	80.1
226.08070	4.8
232.45049	0.9
240.92216	0.8
275.02185	1.3
285.03897	0.9
289.07162	2.4
299.99188	2.5
300.99942	3.6
313.07065	1.3
327.08679	1.5
329.10269	1.0
344.08984	1.6
346.61377	0.9
358.10519	4.0
359.11331	8.2
373.13089	9.6
389.12302	3.0
404.14667	4.9
419.17157	35.4
420.17160	4.0
597.23456	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	645.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38202	2.5
59.01372	4.8
61.59462	3.1
65.00333	3.1
69.37265	6.9
69.37681	8.1
81.03508	4.7
83.35531	2.8
97.02966	9.8
109.02932	5.5
110.00110	5.7
121.02935	4.0
123.00884	4.6
123.04584	4.8
125.02468	7.6
125.99596	10.9
137.02461	34.5
137.99562	14.9
141.02000	3.2
149.02472	11.5
151.04034	9.9
153.01949	94.6
153.03165	5.8
153.99026	4.9
155.03523	5.4
163.04033	3.1
164.04800	7.2
168.04294	66.0
169.01176	3.0
169.04713	3.5
177.01930	63.7
178.02718	22.8
179.03516	100.0
180.04111	8.2
192.04297	76.0
193.04904	5.7
194.05849	87.4
194.07619	4.2
195.06540	7.9
207.06644	93.6
208.06996	2.9
209.08186	54.6
213.07622	7.1
227.09325	2.9
227.14250	3.1
361.12967	25.8
386.46848	2.8
410.74567	3.4
417.15515	13.0
437.18390	3.5
592.84454	3.6
645.25580	59.0
646.25916	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	645.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88476	1.3
54.49043	1.4
57.03452	24.8
57.50474	1.1
60.46422	1.3
68.99792	2.0
73.02889	1.6
79.54627	1.2
83.04994	1.4
85.06586	2.0
87.04528	8.0
95.05042	3.3
97.02995	1.8
98.01717	1.2
98.22591	2.1
107.05028	1.6
109.02953	3.5
109.06593	2.7
111.04521	41.9
111.05249	2.7
113.09738	12.9
115.04047	1.5
121.06591	2.0
122.03738	1.6
123.04545	5.1
123.08206	2.0
124.01668	5.9
125.02464	2.4
125.06063	2.1
135.04544	1.4
137.02429	4.2
138.03117	1.2
139.04031	2.3
139.07671	2.0
140.04851	2.4
141.05544	1.9
151.07657	1.9
153.01907	2.2
153.05557	1.7
163.07675	3.9
165.01895	1.6
165.05603	9.7
165.09189	2.7
166.02701	5.0
166.06294	2.8
167.03386	1.3
167.07214	1.2
179.07166	9.4
179.10747	2.3
181.08711	100.0
182.08952	6.2
193.08679	7.1
195.06642	5.1
205.08685	2.3
207.06631	74.0
208.07408	23.7
209.08174	11.2
209.11781	1.9
214.04889	1.6
219.10243	2.0
221.08182	17.0
222.08929	3.4
223.06126	15.3
223.09801	3.8
224.06363	1.6
233.08296	4.4
233.11765	4.7
235.09642	8.1
241.14462	2.6
247.09673	4.7
247.13431	2.3
249.11438	1.4
261.11270	3.9
262.11923	1.5
263.09186	3.8
263.12793	4.4
277.10782	19.6
278.11264	2.4
291.12360	15.0
305.10446	1.4
305.13937	3.4
317.13995	1.7
331.15613	1.6
333.13452	10.5
334.13962	2.4
345.17099	2.1
395.20526	3.6
401.15829	2.1
408.21445	2.3
409.18472	67.3
410.19012	7.2
413.07571	1.7
418.89474	1.5
463.23126	22.8
464.23703	2.7
527.22949	2.0
645.32880	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	645.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	41.1
65.21349	1.8
69.39453	8.3
72.99298	6.3
73.02928	3.4
78.47417	1.6
78.95916	3.1
80.77205	1.6
85.06579	4.9
87.04529	5.4
95.05056	2.9
98.21785	4.2
108.35953	1.9
109.02935	4.1
109.06615	2.8
111.04530	46.3
113.06080	3.8
113.09734	14.8
121.06647	2.5
123.04511	2.0
125.02410	2.0
125.06113	2.4
139.03952	1.8
141.05560	2.7
151.07672	3.3
152.77856	2.0
152.99527	2.1
163.07587	2.0
165.05603	5.9
166.02670	2.6
166.06320	2.1
169.05109	3.2
179.07108	11.1
181.08730	100.0
182.09073	5.0
189.05571	2.1
193.08693	6.9
195.06613	8.4
200.03261	2.0
205.08745	2.9
207.06641	38.2
207.09975	1.7
208.07394	15.6
209.08186	6.9
209.11835	3.3
221.08185	16.8
223.06139	5.5
233.08208	4.3
233.11832	4.1
241.14395	2.6
247.09776	3.6
249.11081	2.1
261.11252	3.0
277.10815	11.5
277.13379	1.8
317.13986	4.2
331.15433	2.3
333.13586	10.2
334.13879	2.4
395.20615	5.9
409.18304	46.3
410.19052	6.4
463.22681	9.2
527.22656	2.5
645.33545	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	645.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88597	1.4
54.68553	1.2
56.36141	1.2
56.70335	1.4
57.03455	22.0
57.39276	1.4
59.01376	1.9
65.63944	1.3
68.99802	2.6
73.02961	3.6
78.95918	5.6
83.05008	1.9
83.87169	1.4
85.06609	2.6
87.04512	6.1
95.01389	2.1
95.05029	3.1
107.05099	1.7
109.02962	4.7
109.06620	4.6
110.17430	1.5
111.03754	2.6
111.04532	53.9
113.09727	13.7
119.60946	1.5
121.06622	2.6
123.04507	3.8
123.08186	3.1
124.01669	6.0
125.02480	3.5
125.06081	2.6
137.02475	3.2
138.03276	1.4
139.03999	2.3
139.07590	1.9
140.04803	1.9
141.09201	1.6
151.03952	2.8
151.07620	2.2
152.99582	4.2
153.01910	3.0
153.05551	2.2
154.34201	1.6
163.00365	1.5
163.07674	4.1
163.91083	1.4
165.01926	2.5
165.05565	9.6
165.09225	2.1
166.02684	4.4
166.06337	1.7
167.03432	2.6
175.07637	1.9
177.09277	1.8
179.03432	1.5
179.07118	10.5
179.10735	4.7
181.08714	100.0
182.09003	7.8
193.08742	8.5
195.06633	2.9
205.08713	1.7
207.06633	78.5
208.07344	22.8
209.08209	11.6
209.11801	3.8
219.10295	2.7
221.08148	13.1
222.08844	2.3
223.06140	16.1
223.09706	4.7
233.08191	5.1
233.11725	1.9
235.09818	6.0
241.14488	4.5
245.11703	2.0
247.09721	3.8
263.09155	2.1
263.12872	5.1
265.13693	1.6
275.12875	1.5
277.10898	17.7
278.11063	1.9
281.24899	3.1
289.14621	1.8
333.13544	10.6
395.20581	6.1
408.21265	2.3
409.18195	33.7
410.19077	4.5
463.23511	8.1
491.53345	1.5
527.22803	2.4
645.36847	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	645.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27099	0.4
52.35014	0.4
56.60943	0.3
61.98795	0.4
69.05074	1.5
69.05496	2.0
69.93060	0.4
70.97675	0.4
71.61415	0.5
82.78226	0.4
97.06598	0.4
109.06654	0.4
117.03447	1.6
121.03075	0.4
132.02179	1.2
133.02969	28.5
134.03845	2.0
135.04538	10.3
137.02454	1.0
139.04068	0.5
145.02945	0.5
148.05296	0.9
151.11288	0.4
151.13576	0.4
160.84239	1.1
161.02457	100.0
162.02803	3.9
162.83923	1.4
178.02748	0.6
179.03516	3.7
193.05072	0.4
224.77547	0.4
317.81223	0.4
407.29532	0.8
425.26410	0.4
492.23355	0.4
512.02948	0.5
583.80853	0.5
599.33887	3.2
601.35364	52.5
602.35657	8.7
645.34338	64.7
646.16577	0.8
646.34686	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	645.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
61.30771	0.6
64.29517	0.6
69.09309	4.7
71.61449	0.6
99.32781	0.6
114.16878	0.6
132.02136	1.0
133.02972	25.0
134.03740	0.9
135.04544	8.4
136.04826	0.8
137.02466	0.7
161.02458	85.2
162.02802	3.1
169.59872	0.6
179.03511	4.2
242.00607	0.6
255.15460	0.5
256.27875	0.6
271.16400	0.5
360.97617	0.7
373.09262	0.6
561.56018	0.7
601.35205	2.2
645.34369	100.0
646.34772	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	645.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75007	0.4
56.80856	0.4
61.98826	1.1
71.29101	0.5
107.05056	0.7
108.61945	0.5
115.92114	0.5
116.92915	0.4
117.03467	0.7
133.02982	5.4
134.03764	2.9
135.04539	73.3
136.04892	2.1
151.04050	0.4
154.47076	0.3
161.02455	8.8
162.02815	0.7
179.03514	100.0
180.03821	3.5
199.17487	0.4
243.66560	0.4
295.75461	0.4
437.74396	0.4
545.86121	0.4
601.35419	1.8
602.36517	0.5
645.23962	0.8
645.34375	16.0
646.34656	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	645.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72168	0.6
57.03426	1.4
58.53145	0.5
65.75356	0.6
87.04530	2.8
111.04493	0.9
111.08216	0.7
113.09733	6.6
123.08171	2.3
125.06106	3.9
135.08186	0.9
136.05295	1.5
137.02429	1.0
137.09741	0.9
138.03241	5.8
139.03976	0.8
163.11330	0.8
165.01936	3.0
166.02722	28.1
170.02208	0.7
175.11212	0.7
179.10793	3.5
181.08713	36.6
182.05838	1.3
182.09064	1.9
187.08040	0.6
193.08673	0.7
197.08186	1.3
205.05038	0.9
205.08675	0.8
207.06654	1.7
208.07399	1.8
209.08215	0.9
221.08250	4.0
222.08972	27.3
223.09532	2.0
233.08212	3.0
249.11250	0.9
261.11319	15.1
262.11758	1.2
276.13623	2.4
277.14478	1.1
307.15637	1.0
325.16559	3.9
379.21378	1.2
391.21304	2.5
395.20847	2.2
409.22357	100.0
410.22641	10.6
435.82065	0.7
463.27054	32.9
464.27527	4.0
645.33484	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	645.3801
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81808	2.3
53.26274	2.4
61.98819	4.9
71.28164	3.8
92.05401	3.1
95.87920	2.8
111.80860	2.8
116.92907	3.0
117.03496	3.9
119.43601	3.4
121.03006	3.8
132.02229	10.8
133.02957	24.9
134.03781	5.8
135.04515	19.4
145.02950	13.1
160.01678	49.9
160.86920	3.0
161.02444	15.6
175.04034	47.5
177.01970	7.8
179.03497	13.9
397.27402	3.0
527.84039	3.1
530.27521	2.7
530.35284	2.9
545.48657	2.8
554.46350	3.1
571.36780	11.6
601.39166	23.8
602.39008	5.7
607.40070	5.5
615.38177	5.2
627.37366	3.1
645.38086	100.0
646.37720	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	645.3801
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	1.4
95.05062	1.0
97.16516	0.9
105.03484	2.5
110.90939	1.0
115.92081	1.4
119.04997	1.4
132.02162	9.1
133.02979	24.1
134.03783	4.8
135.04530	2.6
142.06686	1.0
145.03059	1.1
149.06076	2.2
160.01669	38.5
161.02466	5.4
175.04012	45.2
176.04416	2.2
177.01991	6.3
183.06451	0.9
193.05092	3.4
510.45438	1.1
525.16626	1.1
601.35315	0.9
609.39276	0.9
630.35992	5.7
630.45117	0.9
645.38013	100.0
646.38385	18.5
652.66461	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.4949
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00592	0.6
88.00879	0.4
112.44679	0.7
125.09697	1.4
127.11299	8.0
131.44998	0.4
133.02971	2.5
135.04486	0.7
139.11317	0.5
143.10732	1.2
155.10805	2.5
157.12364	3.4
161.02461	6.5
163.46803	0.4
165.09241	0.4
171.10291	2.9
179.03444	0.4
185.11858	0.4
187.13409	0.9
201.11278	1.4
229.76289	0.4
283.22751	0.5
295.22827	2.4
313.23868	11.6
314.24277	0.8
324.62152	0.5
327.21503	0.5
329.23343	5.3
331.24905	75.8
332.25287	5.4
601.35126	3.8
602.35504	1.1
645.34406	5.4
645.49493	100.0
646.34839	1.4
646.49811	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	4.0
60.22730	0.7
61.98830	4.1
63.50300	0.7
69.03450	1.0
69.11727	3.9
69.12149	2.8
71.01392	3.5
71.42393	0.8
72.99303	0.7
73.02943	0.9
79.01888	1.4
83.01415	1.0
85.02960	2.4
89.02447	1.7
89.88995	0.8
95.01395	2.5
99.04510	1.4
101.02456	1.5
107.01408	3.9
108.02190	5.8
109.02997	2.5
110.00150	0.7
113.02478	1.7
119.05038	1.0
123.00903	11.7
123.04537	1.4
125.02450	20.4
135.04498	1.2
136.99043	0.8
137.02443	1.2
139.00407	5.2
139.01311	0.7
140.01231	1.2
147.82489	0.8
149.02470	1.0
150.02866	0.7
151.00369	9.6
152.01135	5.1
153.01886	3.0
164.04822	3.0
165.01971	1.1
165.05438	0.9
166.99823	0.8
167.03499	1.3
168.00677	5.1
169.01437	32.6
170.01837	0.9
177.01970	1.0
181.05029	0.9
189.01947	1.5
211.02484	11.9
217.01350	0.9
245.19440	0.8
271.02161	1.5
271.04672	16.5
272.02649	0.9
287.02112	1.7
289.91122	0.9
313.05685	3.2
316.02249	2.2
317.02701	2.5
331.06915	1.4
341.06583	0.9
393.58286	0.8
465.10333	1.3
485.16763	7.0
486.17111	1.1
495.12949	2.4
583.23975	100.0
584.24304	14.2
628.17834	1.4
646.18420	9.2
646.28937	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.053
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	2.3
71.00938	2.4
71.01359	2.4
77.53361	1.7
83.01396	2.6
85.02929	3.2
101.02465	1.6
105.03480	4.5
107.01386	3.5
109.02998	2.5
117.03468	3.3
118.71941	1.7
119.05019	2.5
121.02961	3.8
123.00890	5.9
125.02473	23.3
129.03522	2.0
133.02959	3.5
135.04544	5.3
137.02422	5.3
139.04021	2.1
145.02969	9.7
147.04503	8.0
149.02451	4.0
151.03983	2.6
160.01640	2.9
160.45563	2.2
161.02466	18.0
162.03157	6.0
163.00381	6.2
163.04012	17.9
164.01126	3.8
165.01950	4.8
167.03461	2.9
169.01413	12.9
173.02466	8.7
174.03334	3.0
175.04051	4.8
177.01898	6.3
187.00397	2.7
188.01167	4.7
189.01961	20.2
190.02644	5.8
190.99905	2.4
191.03534	44.9
191.05563	5.3
193.01442	2.5
195.53600	1.8
201.01889	7.5
207.03026	2.5
216.00618	5.3
217.01421	21.9
218.01956	2.5
219.02940	11.5
235.02505	9.9
243.03087	2.8
244.00078	3.1
245.00920	13.3
255.03146	2.4
259.99689	3.0
261.00406	35.7
263.01968	3.2
275.02200	2.7
287.99261	2.2
288.99927	6.6
289.07150	4.0
293.12366	2.3
300.99860	2.4
324.71753	2.0
351.20557	1.8
352.10153	3.8
363.03506	5.2
367.36514	1.8
405.04666	8.6
423.05743	4.3
433.04236	10.4
503.64502	2.0
514.20526	1.9
575.06830	100.0
576.06970	13.2
603.06274	36.8
604.06573	4.4
648.20111	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	647.0533
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01266	1.8
59.01368	2.3
59.55754	1.7
71.01385	2.8
71.39464	3.0
83.01386	2.2
83.19031	1.7
85.02941	3.2
93.03490	2.4
95.01437	1.6
97.68456	2.0
109.02933	2.9
113.02503	2.1
119.05040	5.0
123.00913	3.6
125.02445	18.7
133.02953	5.7
135.04556	4.4
137.02441	4.3
139.04004	2.6
145.02959	7.9
147.04535	5.5
149.02440	2.9
151.03938	2.0
160.01534	2.5
161.02423	18.6
162.03242	2.9
163.00336	3.1
163.04018	16.9
164.01128	2.8
165.01987	2.1
167.03517	3.5
169.01442	12.5
173.02409	7.3
175.03975	4.2
176.01083	2.6
177.01917	6.9
179.03575	1.9
187.00404	3.3
188.01022	2.6
189.01964	18.6
190.02719	5.5
190.99907	1.8
191.03510	30.3
191.05368	3.7
192.00510	2.8
194.91077	1.7
201.01942	6.2
203.03658	2.0
205.01428	2.4
207.02971	1.9
214.99687	2.5
215.03419	2.2
216.00677	2.6
217.01413	16.9
217.04935	2.1
219.03046	9.7
231.02928	2.6
232.00127	2.8
233.00943	2.2
235.02472	5.2
243.02951	2.1
245.00916	14.3
247.02490	2.2
259.99548	4.1
261.00378	29.9
262.00879	2.8
263.01913	2.2
275.02075	2.7
288.99802	3.8
289.07159	2.4
293.12405	3.7
300.99741	3.6
352.10345	3.7
353.10626	3.5
363.03592	6.2
400.52551	2.1
405.04343	8.6
423.05945	2.4
433.04138	11.0
493.45001	2.1
531.85486	2.3
575.06824	100.0
576.07184	11.0
603.06421	31.1
604.06879	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	3.3
61.98832	7.8
69.02879	30.2
71.01393	7.2
76.78780	2.9
88.98823	13.6
95.01388	5.7
96.96042	3.6
98.21786	4.9
107.01403	7.2
108.02209	2.9
109.02965	8.0
111.00825	3.2
111.77750	3.4
114.93453	10.1
116.92852	9.0
121.02997	4.7
122.60319	3.6
123.00900	24.1
123.04520	8.6
124.01676	10.5
125.02459	59.9
126.02736	4.1
129.17339	3.4
135.04555	4.7
137.02475	13.1
137.06094	7.6
138.03242	4.6
139.04034	5.9
149.02458	8.8
150.03242	16.5
151.00397	7.8
151.03989	6.9
152.01297	5.4
153.01889	3.7
159.04552	5.9
161.02477	3.3
165.01903	6.2
165.05603	14.7
166.02632	4.1
166.06348	6.9
167.03519	12.7
168.00674	6.6
169.01431	72.3
170.01816	4.9
177.01964	4.6
179.03554	4.1
180.04210	3.4
181.05092	19.1
181.08710	3.8
195.06660	16.8
201.05544	4.0
225.07672	4.8
243.06593	40.1
269.98007	18.2
270.98752	7.5
285.00446	12.5
289.07092	19.5
297.97519	35.6
298.98282	13.9
300.99863	4.6
312.99936	68.5
313.05496	26.2
314.00641	36.3
315.08765	4.8
328.02246	33.6
329.03030	100.0
405.27939	3.6
451.12573	23.7
465.06674	29.1
491.08322	7.7
495.11279	8.3
557.12866	59.2
558.13641	9.6
647.12012	48.1
648.12866	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
64.33826	0.4
69.94205	1.7
73.02959	0.5
79.01903	0.6
85.06593	1.3
87.04530	1.3
88.55764	0.4
95.05035	1.4
97.02968	0.6
98.64053	0.4
99.00843	0.5
109.06609	0.5
111.04527	3.5
113.09724	0.4
117.03495	1.1
122.08899	0.4
123.08167	1.0
133.02954	1.0
139.04051	2.4
141.05615	0.6
160.01686	0.7
161.02469	1.2
163.07669	0.5
165.01880	0.6
165.09216	5.4
169.05095	3.4
175.04050	1.2
177.02090	0.6
177.05580	0.7
181.08727	2.9
191.07127	0.9
195.06636	5.6
206.96651	0.4
208.07397	0.9
209.08202	24.5
210.08626	1.3
224.06911	0.5
241.14642	0.7
244.78058	0.4
264.07831	0.4
281.08139	0.5
292.07404	0.8
293.13870	0.5
310.08456	2.7
323.09296	0.7
338.08041	1.1
339.08929	0.5
347.09256	0.5
349.06860	0.5
349.10718	0.5
353.19730	1.3
365.19778	1.0
367.08182	1.7
381.13333	0.8
391.11771	1.2
393.06250	0.7
409.12958	8.0
410.13382	0.6
411.14932	0.4
411.20163	8.4
412.20804	0.5
419.11328	4.6
437.12436	100.0
438.12790	11.9
465.24786	0.7
497.95694	0.6
507.57959	0.4
603.22302	2.5
629.33228	1.4
647.34760	4.9
648.36035	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12506	0.3
52.13104	0.3
57.03433	0.5
57.63201	0.3
61.98832	2.0
61.99092	0.3
63.39192	0.3
63.41098	0.3
68.99361	2.9
71.02269	0.3
71.05003	0.5
73.02930	0.7
75.00886	0.4
79.01911	0.7
85.02956	0.4
85.06602	0.7
87.04518	1.3
95.05022	1.3
97.02966	0.5
98.21785	0.4
109.06597	0.6
111.04523	3.6
113.09721	0.6
117.03474	0.3
121.02995	0.4
123.08174	1.1
133.02957	2.3
135.04503	1.0
139.04015	2.6
141.05624	0.4
145.02966	0.7
147.08151	0.4
149.06097	0.4
160.01666	0.7
161.02467	6.9
163.04063	0.4
165.01939	0.6
165.09238	6.2
166.02705	0.7
166.09557	0.5
168.25050	0.3
169.05107	1.8
175.03973	0.6
177.01849	0.4
179.07222	0.4
181.08711	4.6
191.07039	0.4
207.06648	0.7
208.07416	2.7
209.08205	22.1
210.08542	0.9
224.06927	0.9
225.07486	0.4
240.04231	0.3
247.09700	1.0
268.03857	0.4
279.06363	0.3
282.09097	0.6
291.03177	0.4
292.07516	0.9
295.02441	0.4
297.03906	0.4
309.07785	0.5
310.08496	2.3
311.09241	0.5
322.12006	0.4
323.05566	0.5
323.09274	0.5
323.15060	0.8
337.07391	0.5
338.07956	1.7
339.08615	0.6
340.09616	0.4
349.07123	0.4
363.12561	0.7
365.13913	0.6
366.07199	0.7
367.08075	1.7
381.13321	0.7
391.11877	1.2
393.06055	0.8
393.13437	1.0
393.18677	0.4
404.08609	0.4
409.13025	9.6
410.13382	1.1
410.18820	0.5
411.14639	1.9
411.20160	15.0
412.20541	0.9
419.11365	4.3
420.11926	0.4
435.14548	0.8
437.12430	100.0
438.12796	13.3
461.12613	0.4
465.25040	2.6
491.17142	0.5
515.17365	0.6
556.78394	0.3
585.21387	1.2
603.22400	5.4
604.22345	1.1
614.17291	0.3
647.35742	9.1
648.36292	1.3
671.48657	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.5
59.01383	3.7
67.01880	1.0
67.57291	0.4
68.99808	0.4
69.03437	0.6
69.67162	1.4
69.67583	0.9
71.01385	4.6
72.99296	0.8
73.02949	1.5
79.01901	1.2
83.01390	1.2
85.02962	2.8
86.22849	0.4
87.00891	0.9
89.02467	1.1
89.27945	0.4
95.01414	2.2
96.96025	0.6
97.02946	1.0
101.02453	2.6
107.01402	5.3
109.02942	0.6
111.00887	1.8
113.02440	1.2
123.00900	13.0
124.01738	0.6
125.02460	18.5
127.00378	0.8
136.98846	1.1
137.02486	0.7
139.00395	3.8
140.01163	1.8
141.01935	2.0
151.00385	9.8
151.04036	0.7
153.01897	0.6
165.05508	0.5
168.00674	3.0
169.01443	26.6
170.01788	0.9
179.03471	0.5
181.05017	0.8
197.04640	0.4
211.02516	4.6
223.02463	0.7
253.03497	0.6
256.18979	0.4
267.74194	0.4
271.04608	6.6
285.07745	0.5
289.07178	1.0
313.05673	2.7
331.06854	0.5
343.95053	0.5
373.07809	5.2
647.25629	100.0
648.25940	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	647.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.6
59.01377	4.6
61.98838	0.6
67.01884	1.3
69.03426	0.7
71.01397	4.6
71.28470	0.7
72.99306	0.8
73.02949	0.8
79.01907	1.3
83.01408	2.0
85.02956	1.8
87.00874	0.6
89.02457	1.3
95.01379	2.1
97.02954	1.3
98.39627	0.6
99.00873	0.9
101.02445	2.9
107.01405	5.7
109.02946	1.3
111.00910	1.5
113.02459	1.5
121.02953	0.7
123.00892	13.9
123.04556	1.1
124.01679	1.8
125.02450	23.8
126.02792	0.7
135.04504	0.8
136.98805	0.9
137.02455	1.7
139.00375	5.3
139.04056	1.2
140.01196	2.4
141.01965	1.6
149.02438	0.5
150.03291	0.6
151.00391	9.5
151.04001	0.9
153.01978	0.9
161.02464	0.7
161.04605	0.7
163.04111	0.6
165.01968	1.1
167.03514	0.6
168.00652	2.0
169.01434	29.3
170.01744	0.6
175.04147	0.6
179.03502	1.1
181.05115	0.6
191.03317	0.6
195.06531	0.7
203.07161	1.0
208.14063	0.4
211.02510	4.1
242.85167	0.5
253.03484	0.6
271.04556	7.4
289.07199	5.2
290.07501	0.5
313.05637	2.4
345.09644	0.8
373.07767	6.0
438.04059	0.5
442.71375	0.5
467.13730	0.7
647.25647	100.0
648.26099	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	647.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87533	0.9
53.19769	1.0
56.54724	0.9
56.76648	1.2
61.98842	5.0
63.31813	1.0
75.48891	0.9
76.82500	0.9
78.91883	1.1
93.03480	1.2
96.95992	1.7
108.02171	1.5
109.02966	4.4
116.92905	1.2
123.00889	1.5
125.02484	6.1
135.04539	1.9
136.01643	4.6
137.02455	28.5
149.02470	1.5
151.00377	2.1
151.04030	5.7
152.01237	1.9
152.04796	4.2
153.05597	1.9
164.01144	4.5
165.01942	100.0
166.02293	3.9
167.07104	4.3
169.01410	3.5
172.69499	1.2
177.02094	1.6
177.05602	1.6
179.01906	1.4
179.03511	43.9
180.04289	53.2
181.05080	24.7
182.05856	8.6
194.05826	7.6
195.02943	3.2
195.06638	75.7
196.07397	26.1
197.08186	20.6
201.11333	2.8
209.08197	1.9
209.11861	2.2
210.05324	12.1
211.09758	28.8
212.06870	5.6
213.07613	1.3
225.07693	61.6
226.08002	3.4
227.09209	12.0
229.31392	1.4
243.06584	2.3
305.06619	1.8
313.10757	1.7
336.90192	1.1
341.10300	3.3
357.09732	1.8
387.14639	8.6
397.83014	1.0
437.18307	1.9
464.72549	1.0
480.66928	1.2
569.20129	4.9
584.22717	2.2
599.25012	45.0
600.25616	8.7
647.19189	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64091	1.7
59.01380	9.1
61.98837	8.6
67.44443	1.6
71.01393	3.5
71.29153	2.7
73.82837	1.5
84.95844	1.6
85.02962	2.6
87.00873	1.5
89.02440	1.7
93.03461	3.7
94.06629	2.8
96.96002	1.7
101.55535	1.6
102.89706	1.4
107.03773	3.5
108.04572	7.8
109.02959	4.2
110.06139	7.2
113.02517	2.1
113.62911	1.4
119.05058	3.6
121.05326	2.0
122.06141	23.0
123.00922	2.4
124.01683	1.7
125.02450	13.6
130.21156	1.5
134.06131	7.2
136.07687	6.4
137.02475	2.3
146.06158	2.5
148.07779	2.1
152.01128	2.3
152.07191	3.9
161.04886	2.4
162.05663	1.9
163.04073	4.3
167.03499	2.1
169.01463	7.2
174.05640	4.1
177.01962	2.0
179.03481	2.0
180.04231	1.7
180.06653	20.2
188.07166	12.5
209.08308	1.5
215.11967	3.5
225.10339	1.7
237.10364	2.8
238.11137	2.4
239.11899	10.1
240.12561	1.7
241.13559	4.5
251.08253	3.1
251.11943	3.0
253.09586	2.9
259.77991	1.6
263.11972	3.4
264.09085	3.5
265.09845	13.3
266.10507	4.3
267.11420	4.7
279.07782	5.0
279.11441	8.1
280.08429	1.8
280.12112	4.8
281.09470	2.3
281.12881	2.2
283.10931	3.3
285.04053	2.0
285.12311	8.0
289.10110	3.3
290.10611	2.2
291.11487	4.6
292.08499	2.4
293.09283	12.4
294.09647	2.3
301.12283	1.6
303.05121	4.1
307.10934	18.1
308.11655	35.1
309.12433	8.1
311.10519	3.4
312.11069	2.1
325.08011	1.9
340.10648	19.8
341.10855	2.6
375.09720	1.7
388.16901	1.7
402.18246	2.1
418.17868	4.9
430.17731	27.2
431.18103	4.3
447.31314	3.3
448.18842	33.9
449.18970	3.4
451.17175	1.7
456.15604	1.8
474.16678	5.1
492.17795	94.4
493.17938	14.7
506.19366	3.8
524.20422	100.0
525.20715	14.1
553.24414	4.8
597.23462	6.0
615.24615	3.1
629.26154	3.8
647.32520	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	647.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77867	0.7
55.01883	2.1
57.03445	2.2
58.00601	1.6
59.01384	47.2
59.96530	0.7
61.98841	2.1
65.45988	0.7
65.75519	0.8
68.99831	1.1
69.03461	2.7
71.01388	41.4
72.99332	4.4
72.99657	0.7
73.02959	7.3
75.00844	0.9
81.03474	2.2
83.01398	9.9
85.02958	8.9
87.00893	8.6
87.11850	0.8
89.01881	1.7
89.02447	34.5
95.01402	3.1
97.02949	5.0
99.00905	1.7
99.04543	1.1
101.02448	38.7
109.03007	1.0
111.04516	1.4
113.02459	19.2
114.09264	0.8
116.92884	1.0
117.03473	2.0
119.03510	10.4
119.05101	0.7
125.02449	11.6
131.03535	2.2
133.02977	1.6
133.05130	1.2
135.04512	0.8
143.03522	6.4
145.02983	6.0
149.04697	1.0
160.84236	3.5
161.02518	4.5
161.04556	16.4
161.84279	1.1
162.83917	4.8
163.03983	2.2
177.16489	0.9
179.05621	7.4
203.05524	0.9
205.19698	1.2
217.07275	1.1
221.06683	1.3
224.98207	0.8
231.17558	0.8
235.08226	13.0
249.18622	100.0
250.19040	5.9
253.09300	14.0
263.07819	1.4
277.09454	1.0
287.07764	2.4
305.08945	2.5
323.09943	1.1
325.81500	0.8
379.12686	1.1
397.13531	77.2
398.13718	5.3
415.14590	35.3
415.20157	1.2
416.14944	1.3
541.15277	0.9
647.17542	1.2
647.35864	8.7
648.16766	1.6
648.36255	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.343
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95415	0.8
57.03424	1.7
58.61615	1.0
59.01373	0.9
61.98816	2.7
68.48054	1.0
71.28188	1.2
71.28575	0.8
73.02940	2.6
75.00877	5.5
85.06599	1.4
87.04535	6.5
95.05028	2.2
97.06612	1.9
99.00896	2.1
109.02911	1.1
109.06584	1.8
111.04539	9.6
113.06084	1.1
113.09734	1.7
117.03461	4.5
119.05033	1.7
121.02991	1.2
123.04498	1.1
123.08168	1.0
125.06095	2.3
125.09731	1.2
132.02132	0.9
133.02962	7.1
135.04526	2.4
137.02524	1.1
137.09686	0.9
139.04066	1.5
141.05592	3.7
145.02881	2.1
153.09177	1.1
160.01674	2.0
161.02481	21.1
163.03984	2.0
165.01930	1.4
165.09267	1.3
166.02695	3.0
169.05096	19.9
175.03958	1.9
177.01996	1.0
181.08745	15.4
195.06606	3.1
207.06607	2.2
208.07469	7.1
209.08153	3.0
221.07904	1.0
223.18480	0.9
224.06950	4.8
225.07567	1.6
241.14481	6.8
247.09769	3.1
294.23242	0.9
299.48807	0.9
323.14975	1.1
341.16281	1.5
342.91010	0.9
365.19724	1.3
369.57983	0.9
383.20963	2.0
393.19012	1.4
409.13055	1.4
411.20276	100.0
412.20636	11.5
437.12668	7.3
438.12747	1.2
465.24994	6.9
489.21671	1.0
507.27795	1.0
647.35791	26.7
648.36115	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	647.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03239	0.4
57.03449	2.8
58.99507	0.5
58.99969	0.4
59.01363	0.9
67.85053	0.6
69.52355	0.4
71.01390	0.7
71.05025	0.8
73.02945	1.4
75.00873	5.5
83.05036	2.4
85.02969	0.9
85.06591	1.1
87.04523	11.7
95.05039	1.8
97.06586	2.6
99.00884	9.6
99.04533	1.1
101.06084	2.5
104.23242	0.5
107.05052	0.9
108.59711	0.5
110.37012	0.5
111.04533	9.7
113.06099	1.7
113.09727	9.9
125.02462	0.7
125.06078	3.3
127.04024	0.8
127.07663	0.6
133.02966	0.8
141.05623	4.8
143.07011	0.6
149.09720	1.2
151.04025	1.3
153.09204	5.7
154.02661	0.7
160.01648	1.6
166.06395	0.8
169.05074	59.0
170.05405	2.7
175.04108	1.1
177.05484	0.7
179.07103	1.2
181.08716	73.7
182.02217	1.1
182.09029	3.4
193.08716	1.1
195.06601	3.7
213.11369	0.6
223.06242	0.7
223.09741	3.4
224.06903	6.3
225.07457	1.1
237.14783	0.6
241.14465	10.0
241.16881	0.6
249.14822	0.8
293.13950	2.0
307.88586	0.6
323.14917	3.1
341.16119	0.6
353.19705	1.5
365.19574	1.4
383.20789	3.3
393.19293	1.8
411.20258	100.0
412.20633	12.3
465.25003	1.1
491.99918	0.7
560.23877	0.5
629.33752	2.6
647.38550	6.7
648.38837	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37595	0.8
57.03445	2.8
61.98836	1.0
69.52120	4.4
71.05038	1.6
73.02949	3.6
73.56952	0.9
75.00874	10.6
82.77372	0.8
85.02958	1.8
85.06582	2.7
87.04516	9.7
95.05013	1.4
97.06596	3.2
99.00880	4.5
101.06098	1.2
111.04528	30.9
113.06114	2.3
113.09704	2.8
123.08138	1.6
125.02432	1.7
125.06088	6.4
140.96069	0.9
141.05588	6.6
143.07121	2.5
149.09721	2.3
153.01900	1.2
153.09247	5.6
154.02710	1.3
154.53928	1.0
169.05077	39.4
175.04015	1.4
177.05658	2.5
179.07051	1.1
181.08714	25.6
182.02174	2.1
182.09053	2.0
193.08655	2.1
195.06624	12.0
197.08076	0.9
209.08195	2.5
214.05621	0.9
223.06094	1.2
223.09885	1.2
224.06914	7.7
225.07538	1.0
235.13390	1.1
241.14493	11.5
243.13889	1.4
275.12991	1.0
293.13968	2.6
349.20190	4.5
353.19617	7.2
365.19757	4.4
383.20917	5.9
393.19223	7.3
411.20276	100.0
412.20605	10.3
629.33472	12.1
630.33319	1.4
639.56769	1.0
647.33807	19.3
648.34821	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	647.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31689	1.1
57.03449	2.1
60.86556	1.2
63.34907	1.2
65.92902	0.9
69.23702	2.4
69.24116	5.9
73.02933	1.5
75.00864	1.7
83.71054	1.2
85.06580	1.6
87.04517	7.2
92.39875	1.1
95.05028	3.1
97.06573	2.4
98.22473	1.7
99.00890	4.7
105.03468	3.0
109.02940	1.4
111.04533	25.1
113.09719	2.2
125.06088	3.5
125.85320	1.0
132.02197	7.7
133.02969	23.3
134.03764	3.1
141.05583	5.2
149.06163	2.1
149.09724	1.7
153.09239	4.2
160.01669	44.8
161.02100	1.7
169.05083	42.7
170.05370	1.7
175.04010	42.0
176.04323	1.6
176.59612	1.2
177.01961	3.9
181.08696	12.8
192.22891	1.3
193.04974	2.1
195.06593	1.6
211.47446	1.2
221.20316	1.2
224.06911	1.8
241.14355	5.3
249.14998	2.5
293.13950	7.6
353.19678	6.2
383.20572	2.5
389.90390	1.4
393.19211	3.7
411.20276	26.4
412.20673	2.3
465.24243	1.3
497.32883	1.6
535.29211	1.9
585.34570	1.4
629.33374	26.4
630.33508	4.9
632.36981	4.6
647.40186	100.0
648.40570	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	647.3589
Annotation	Hydratoperidinin
Peak:m/z	Relative Intensity
50.43407	0.5
53.44567	0.5
60.39454	0.6
60.62836	0.5
73.14349	0.5
76.20834	0.6
87.80669	0.6
94.92478	0.6
109.02950	1.7
115.09261	0.5
117.03480	0.7
121.02911	0.5
122.03759	0.6
132.02153	2.3
133.02969	40.4
134.03685	1.7
135.04543	4.1
137.02446	1.1
139.04027	0.7
145.02930	0.9
150.03235	0.9
151.04027	5.7
160.01685	4.6
161.02469	16.6
162.02811	1.2
163.93141	0.5
175.04015	4.9
177.01917	4.2
179.03476	2.5
202.29228	0.5
252.47527	0.6
294.24091	0.5
464.82504	0.6
510.92706	0.7
518.90784	0.6
537.83563	0.5
557.36298	7.2
558.36536	1.4
585.35913	1.8
601.34973	0.9
603.36719	6.1
604.36981	1.7
647.35883	100.0
648.36224	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	647.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
60.44954	0.5
61.98837	0.5
69.95219	0.6
93.03464	0.6
105.03413	0.8
109.02935	1.3
117.03487	2.4
121.02967	1.6
122.59653	0.6
123.04546	1.8
129.18037	0.5
132.02173	1.4
133.02966	29.5
134.03825	4.5
135.04539	55.2
136.04897	2.6
137.02454	1.3
139.04021	0.7
145.02980	1.7
147.00899	0.8
149.02480	1.4
151.04234	0.6
161.02458	72.4
162.02818	2.6
163.04111	0.8
177.01909	3.5
177.91661	0.5
178.02628	0.6
179.03508	45.9
180.03882	2.9
197.56705	0.6
279.88000	0.7
333.08148	0.7
365.28549	1.0
381.31854	1.1
382.59192	0.6
411.32678	1.1
425.30786	0.8
529.37030	0.6
543.53650	0.7
585.35944	2.3
603.36896	11.8
604.37213	2.3
647.35913	100.0
648.36346	24.4
648.44543	0.6
656.36713	0.6
663.64478	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59560	0.5
69.12163	3.4
69.12561	1.1
71.68861	0.6
98.21822	1.0
117.03470	0.8
124.36139	0.5
132.02097	1.2
133.02968	28.2
134.03824	2.8
135.04539	12.4
137.02438	1.6
161.02454	96.5
162.02795	4.0
163.04088	0.8
173.41264	0.5
179.03516	7.0
180.03955	0.6
180.28938	0.7
200.95354	0.5
576.60284	0.6
587.34033	0.6
601.35419	6.4
602.35889	2.3
603.36938	42.7
604.37311	9.8
640.87628	0.8
647.35919	100.0
648.36243	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	647.3593
Annotation	Hydratoperidinin
Peak:m/z	Relative Intensity
54.20234	0.7
54.85654	0.6
62.42407	0.7
66.84697	0.7
67.13610	0.7
96.96053	1.0
109.02969	2.7
117.03500	1.1
117.64464	0.6
121.02968	1.1
122.03826	0.9
124.01668	0.8
125.22332	0.7
132.02235	1.1
133.02971	44.5
134.03767	3.5
135.04547	10.6
136.04900	0.8
137.02441	2.6
149.02464	0.7
150.03232	1.8
151.04024	6.5
161.02463	47.5
162.02766	2.0
177.01915	4.4
178.02721	1.5
179.03525	5.6
311.28473	0.8
313.86203	0.7
585.36072	1.3
601.35059	3.9
603.36981	58.2
604.37280	11.3
647.35925	100.0
648.36255	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	647.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79589	0.2
59.76023	0.2
61.98837	0.2
71.68873	0.3
98.21830	0.7
105.03499	0.2
107.88155	0.2
114.81672	0.2
115.01898	0.3
116.60945	0.2
117.03464	0.8
121.02969	0.4
132.02179	1.2
133.02963	29.1
134.03691	1.6
135.03511	0.4
135.04530	6.8
137.02443	0.9
139.04030	0.4
145.02914	0.3
160.84158	0.3
161.02449	100.0
162.02769	4.1
163.04070	0.2
178.02791	0.6
179.03493	3.9
205.17186	0.3
272.62506	0.3
389.53235	0.2
403.89600	0.2
453.30099	0.5
465.29984	0.5
603.36975	2.2
604.37634	0.5
647.35913	82.9
648.36224	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	647.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
62.15863	0.7
69.05548	5.3
98.21732	1.2
107.95065	0.7
117.03485	6.2
119.05074	0.9
133.02966	11.2
133.67320	0.5
134.03763	1.9
135.04550	6.6
137.02478	1.1
139.03987	0.7
144.86299	0.6
145.02965	24.4
146.03362	1.1
150.34943	0.7
151.26976	0.6
161.02455	26.1
162.02826	0.9
163.04053	1.8
179.03508	4.0
205.70557	0.7
248.51079	0.7
258.41724	0.6
423.32809	1.0
426.94342	0.7
465.74298	0.7
570.71210	0.7
585.35632	1.4
601.35706	3.2
603.36926	15.5
603.46625	0.7
604.37262	2.7
647.35919	100.0
648.36304	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	647.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.6
57.84753	0.4
58.29140	0.4
61.98836	0.9
70.10349	0.8
70.10745	0.9
70.83910	0.4
71.68880	0.7
73.02947	0.9
75.00877	15.9
85.02943	0.6
87.04522	3.4
88.98815	1.7
97.06590	0.7
99.00893	3.5
99.04537	0.8
101.06119	1.1
101.72228	0.5
111.04510	1.7
113.06123	0.5
113.09756	1.0
117.03471	1.7
119.05070	0.9
121.02985	1.0
125.06100	0.9
132.02188	1.4
133.02969	30.9
134.03682	0.9
135.04543	7.4
137.02466	0.7
139.04047	0.6
141.05556	1.0
141.09232	0.7
145.02983	3.9
149.09677	0.6
153.09183	1.6
160.84193	3.3
161.02461	100.0
162.02805	5.0
163.04047	0.5
167.10802	0.8
169.05078	18.3
178.02745	0.5
179.03513	3.8
181.08731	10.9
182.09119	0.6
204.03383	0.4
223.09892	0.6
241.14456	5.6
242.14766	0.9
299.14969	3.7
330.92120	0.5
405.19492	0.8
411.20303	9.6
412.20627	1.7
495.79990	0.6
594.45575	0.5
603.36975	1.0
640.87219	0.7
647.35919	85.0
648.18317	1.2
648.36285	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	647.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45680	0.4
56.91750	0.4
57.03448	2.4
64.88416	0.5
65.43372	0.9
74.54998	0.5
85.06596	0.8
87.04505	0.8
96.62552	0.5
109.06599	3.3
111.04528	4.7
111.08138	0.5
113.09739	12.4
124.01688	0.9
137.02469	0.8
151.07674	1.3
152.01231	2.4
153.05495	0.5
160.01788	0.4
165.09120	0.5
166.02745	0.7
166.06345	1.4
177.02069	0.4
179.07072	0.6
181.08717	100.0
182.09027	3.7
194.05836	2.3
195.06665	2.5
205.05019	0.5
207.06625	4.5
208.07332	1.1
209.08238	0.6
219.06628	1.3
233.08206	1.1
241.89598	0.5
245.08205	0.9
247.09775	0.5
269.08878	0.4
272.10611	0.8
283.12830	0.5
299.16174	0.5
341.17499	0.6
349.22253	0.5
367.22592	0.8
367.26596	0.5
377.01160	0.5
393.20654	2.4
397.23956	0.7
409.20197	0.9
411.21744	68.1
412.21994	8.3
465.25830	0.6
601.70581	0.5
647.35925	27.6
648.36200	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.4
79.20847	0.7
97.80146	0.8
98.21735	1.9
109.06590	4.2
111.04507	4.6
113.09748	7.8
118.45242	0.7
126.32162	0.7
127.09814	0.8
136.72731	0.8
151.03891	0.9
151.07716	0.8
152.01152	3.2
160.88579	0.8
181.08717	100.0
182.09042	5.4
194.05843	1.8
195.06686	2.6
205.05064	1.1
207.06610	5.3
208.07501	2.0
209.08229	1.1
219.06656	1.3
232.07373	1.0
233.08118	1.9
341.17545	1.6
393.20697	3.7
411.21704	89.3
412.22070	9.9
461.38986	0.8
465.26254	0.9
647.35986	23.7
648.36090	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	647.3807
Annotation	3-O-beta-D-Glucopyranosyl quinovic acid
Peak:m/z	Relative Intensity
59.01380	14.2
61.98813	2.6
62.08244	0.8
66.12824	0.8
71.01391	8.9
72.99321	0.8
85.02956	2.8
89.02457	7.3
90.04051	0.8
96.03151	0.8
96.96008	1.1
99.00894	1.0
101.02454	6.2
113.02443	3.0
116.92825	1.0
119.03504	1.7
133.51041	0.9
160.84244	0.8
190.30684	1.0
439.32434	5.8
441.33984	4.6
460.84174	1.1
485.33179	1.2
647.38043	100.0
648.38281	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	647.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67207	0.6
71.39086	0.5
75.30061	0.6
77.68460	0.6
95.05058	1.5
98.21728	1.2
105.03468	4.7
105.21918	0.6
131.48590	0.5
132.02180	9.7
133.02969	29.8
134.03789	4.3
136.01721	0.7
147.04588	1.0
149.06090	2.4
160.01666	51.7
161.02173	2.5
175.04012	51.1
176.04364	2.3
177.01938	6.0
193.05051	1.7
199.25230	0.6
236.22562	0.6
325.18423	0.6
453.34000	1.4
497.32611	1.6
570.42834	0.7
632.37177	5.4
633.37701	1.1
647.39551	100.0
648.39886	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3957
Annotation	Uncarinic acid A
Peak:m/z	Relative Intensity
64.53647	0.4
65.35892	0.4
67.88412	0.4
77.03982	0.5
78.33531	0.4
87.49568	0.4
89.03967	0.5
95.05043	1.4
98.22643	0.8
105.03472	5.0
111.04535	0.6
119.05043	0.6
121.02982	0.6
131.93770	0.4
132.02190	12.8
133.02968	37.3
133.18384	0.4
134.03795	4.9
136.01669	0.7
141.78456	0.4
147.04492	1.1
149.06082	3.0
153.05583	0.6
160.01669	63.9
161.02098	2.9
175.04008	62.5
176.04337	2.5
177.01930	6.8
178.02545	0.8
181.08690	0.5
183.71201	0.6
193.05074	2.0
209.08226	0.6
220.54044	0.4
409.12888	0.6
411.20389	0.7
437.12390	1.5
453.33710	2.0
471.35114	0.6
497.32742	1.0
531.31335	0.7
632.37238	7.9
633.37457	1.5
647.39551	100.0
648.39911	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	647.3954
Annotation	Uncarinic acid A
Peak:m/z	Relative Intensity
52.42175	0.8
71.39027	0.9
78.52556	0.7
95.05019	1.7
105.03473	2.9
111.04533	2.7
113.09806	0.7
132.02179	7.9
133.02962	21.4
134.03728	3.1
149.06044	0.9
160.01663	35.1
161.02122	0.9
169.05051	1.6
175.04005	30.4
176.04367	1.3
177.01945	3.4
193.05168	0.8
209.08231	5.2
243.33971	0.9
349.34247	0.8
370.74185	0.8
372.30518	0.9
409.13135	4.0
411.20313	6.1
437.12433	11.4
438.12762	1.9
453.34109	1.5
528.61908	0.9
529.16583	0.8
632.37299	4.3
633.38477	1.0
647.39551	100.0
648.39880	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	647.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76535	0.4
57.46304	0.3
69.83482	1.2
71.39014	0.4
73.02969	0.5
75.00877	0.7
82.42439	0.3
85.31942	0.4
87.04536	0.9
89.03981	0.4
95.05039	1.4
98.21848	0.5
105.03477	3.4
111.04527	2.2
113.06154	0.6
113.09696	0.3
119.05032	0.5
123.02842	0.3
125.06070	0.5
132.02184	7.0
133.02971	20.6
134.03813	4.2
136.01663	0.5
141.05649	0.5
143.07175	0.9
147.04637	0.5
149.06113	1.7
153.05548	0.3
160.01666	34.4
161.02083	2.6
162.02153	0.5
169.05057	2.7
175.04005	34.1
176.04353	3.0
177.01938	4.4
177.04491	0.6
178.02390	0.3
181.08734	3.8
192.04330	0.4
193.05048	1.7
224.06847	0.6
241.14436	1.1
267.65897	0.3
286.04620	0.4
320.45682	0.4
351.71884	0.4
353.20068	0.4
411.20230	9.5
412.20721	1.0
453.33710	1.7
454.34073	0.5
458.19843	0.5
472.36169	0.4
497.32565	0.4
632.37042	4.4
633.37537	0.8
647.39502	100.0
648.39844	17.8
648.50916	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94704	0.8
70.25735	1.3
70.26093	1.8
71.39054	0.7
87.04480	0.9
95.05048	1.0
105.03471	4.1
119.05106	0.8
132.02173	7.7
133.02983	22.8
134.03801	4.3
147.04605	1.0
149.06046	1.6
151.60217	0.7
160.01671	39.4
161.02187	2.3
175.04015	42.9
176.04395	2.6
177.01993	4.6
180.38203	0.8
181.08723	2.9
187.83591	0.9
193.05055	0.8
323.15067	0.9
395.11652	1.1
411.20358	1.5
423.10434	1.3
453.33560	1.2
465.24423	1.0
495.30380	0.8
497.32922	1.1
588.38092	1.0
611.75092	1.0
632.37427	5.9
647.39532	100.0
648.39758	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15499	1.2
57.03448	1.8
62.92592	1.3
65.00338	1.8
95.04999	2.1
97.02940	1.6
100.73064	1.4
109.06606	2.3
111.04533	9.1
113.09719	4.9
123.08164	6.0
125.06060	1.8
125.41796	1.4
137.46297	1.5
138.03258	2.7
139.04041	11.7
152.01292	1.8
165.01927	4.6
165.09222	11.3
166.02730	9.5
167.03052	1.7
167.07205	9.3
181.08705	45.1
182.09050	2.4
193.05066	1.9
195.06625	2.1
205.08659	3.5
207.06648	4.4
207.10252	4.0
208.07419	48.4
209.08191	59.6
210.08556	1.6
219.06673	1.5
228.78052	1.4
229.30943	1.4
233.08157	13.0
245.08086	2.3
245.11899	9.1
247.09775	4.3
263.12808	4.6
269.11838	1.4
287.12958	2.1
289.10849	1.6
313.10815	2.1
328.09552	2.2
329.10110	1.5
334.74707	1.5
341.21262	2.9
357.17197	9.1
358.17722	2.0
367.26651	1.9
397.23904	3.1
398.76419	1.6
399.14639	4.2
401.16068	68.9
402.16519	8.0
411.14474	3.7
411.21530	11.3
411.26019	40.7
412.25690	4.8
413.16068	22.6
414.16370	3.4
429.19193	5.9
444.21582	16.9
445.21930	3.2
465.19879	2.7
465.30328	4.2
498.04568	1.6
563.72913	1.6
647.28558	15.8
647.39374	100.0
648.29572	2.8
648.39789	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	649.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.3
67.01884	1.3
69.03459	2.1
69.51529	5.0
70.95580	0.9
71.01369	1.7
73.73264	0.9
83.01357	1.1
95.01378	2.3
96.96003	2.6
97.02961	3.4
98.21819	1.4
107.01386	4.2
109.03001	1.4
111.00853	2.9
116.92872	9.4
117.39579	1.0
123.00896	6.6
124.01682	3.7
125.02460	89.2
126.02802	1.6
137.02457	3.0
139.00371	4.1
139.04004	4.6
140.01146	3.3
149.02550	1.5
151.00362	2.2
151.04025	1.8
161.02414	1.5
165.01944	2.4
165.05606	1.4
166.99866	4.0
167.03517	1.5
168.00674	13.0
169.01442	100.0
170.01762	2.6
177.01950	1.8
179.03584	1.1
183.02995	14.1
193.01453	1.4
195.06679	2.0
210.01677	3.1
211.02498	5.1
225.04070	2.9
238.26740	1.0
289.07220	1.6
313.05743	3.8
421.07129	1.4
430.37662	1.2
437.07248	3.0
443.04776	1.2
451.14209	2.7
464.06137	2.0
465.06696	1.6
479.08374	22.3
480.08963	1.4
497.09326	5.9
521.62860	1.2
649.10486	60.7
650.10907	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	649.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20117	0.9
55.01883	0.9
55.07785	0.8
57.53924	0.7
60.88074	0.7
61.98819	2.3
65.78934	1.0
67.01891	1.8
68.82739	0.9
69.03396	3.1
69.03807	3.1
70.97723	0.7
71.01388	7.7
72.99316	1.4
79.01906	1.2
81.03452	2.0
81.16458	0.8
83.01429	1.2
85.02950	1.7
87.00891	0.8
95.01398	3.2
96.96010	2.0
97.02979	1.4
98.16004	0.8
101.02457	1.5
107.01408	10.0
109.02951	1.4
111.00897	2.8
113.02460	2.7
121.02941	0.8
123.00902	14.8
124.01669	3.1
125.02462	70.6
126.02748	1.7
135.04564	0.8
136.98816	2.1
137.02478	4.2
138.03171	1.0
139.00389	5.6
140.01210	3.4
141.01981	1.0
149.02411	2.0
150.03217	2.5
151.00394	7.9
151.04030	1.5
153.01913	2.5
161.02504	0.9
163.04060	0.7
165.01933	2.8
165.05580	2.6
166.99881	2.4
167.03520	3.4
168.00685	7.4
169.01445	90.0
170.01759	2.0
177.01886	1.8
179.03484	4.1
181.01457	1.2
182.02248	2.9
183.02930	0.7
193.01410	5.9
194.05968	1.6
195.03011	1.1
195.06667	3.2
197.04550	4.4
203.03448	0.7
207.03072	0.9
209.08199	2.0
211.02467	7.7
223.02481	2.8
225.07880	0.7
227.09189	0.9
241.03600	1.5
253.03418	0.9
254.61720	0.9
289.07278	1.6
295.04678	2.7
297.06091	4.0
313.02084	1.6
313.05692	31.8
314.06055	2.7
465.06778	100.0
466.07166	10.6
487.13208	1.4
649.14105	26.0
650.14832	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	649.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44500	0.6
52.78676	0.5
59.01380	0.9
60.56878	0.6
61.98828	1.0
64.92178	0.5
67.01893	2.2
68.99811	0.7
69.03458	1.6
69.22992	2.7
71.01373	2.9
72.99306	1.1
73.80935	0.6
75.52362	0.5
79.01903	1.7
81.03458	0.7
82.00654	0.5
83.00188	0.6
83.01409	1.3
85.02945	1.7
87.00882	1.1
87.87630	0.5
89.92444	0.5
95.01369	2.9
96.95996	0.8
96.99423	0.7
97.02977	1.4
101.02441	1.3
107.01402	12.2
109.02994	1.3
110.00080	0.8
111.00914	4.2
113.02460	1.4
116.92857	1.9
121.03003	0.7
123.00894	14.6
124.01689	4.8
125.02460	63.7
126.02791	1.8
127.00391	1.4
135.04514	0.8
136.98827	2.5
137.02473	2.5
138.03285	0.6
139.00394	9.0
139.04015	0.8
140.01183	5.9
141.01991	1.0
150.03238	0.6
151.00394	6.9
151.04091	1.1
153.01962	7.6
154.02707	0.6
154.99821	0.6
163.04041	0.9
165.01903	1.4
165.05511	0.7
166.99863	4.2
167.03513	0.6
168.00653	13.3
168.04292	5.7
169.01439	68.4
170.01808	1.6
179.03554	1.6
181.01402	1.1
181.05118	0.7
182.02260	2.1
183.03009	2.0
183.06702	1.0
191.03629	0.6
193.01474	0.9
193.05092	0.6
195.06577	0.8
197.04601	1.3
207.02992	0.8
211.02441	1.7
237.04079	2.4
253.03699	0.7
295.04684	1.3
296.05191	0.9
297.06180	2.0
313.05692	8.6
449.07745	0.9
465.06888	1.6
479.12103	2.7
497.13065	15.1
498.13428	1.6
649.14148	100.0
650.14520	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.2
57.03456	2.9
59.01382	14.4
61.98837	24.9
69.03447	2.3
69.60201	3.8
69.60608	2.3
71.01386	15.2
73.02950	7.4
81.03475	3.4
83.01367	2.8
84.55449	1.2
85.02960	8.8
87.00868	1.3
88.98801	2.1
89.02450	5.6
91.94514	1.2
93.03441	1.4
95.01393	5.1
96.96023	2.4
97.06577	1.8
97.61378	1.2
99.00880	2.4
99.04562	2.9
101.02442	8.4
108.02185	53.6
109.02969	43.6
111.04519	1.7
113.02440	5.5
116.92852	1.4
121.02996	1.5
122.03756	1.3
123.00893	4.7
123.04512	5.7
124.01655	2.4
125.02458	7.1
133.02980	3.5
133.59000	1.1
134.03702	1.4
135.04550	1.5
135.08167	1.4
136.01591	1.6
137.02443	3.9
138.03198	1.3
139.04036	4.3
143.03462	1.9
151.04016	6.1
152.01169	65.6
153.01971	19.2
153.05579	4.0
161.02464	6.1
161.04568	4.1
163.03983	3.0
165.05432	2.0
167.03537	2.1
169.01434	4.0
178.02715	1.2
179.03532	2.7
179.07098	2.2
181.08762	1.6
185.11797	2.1
193.08795	5.7
195.06580	1.4
197.85368	1.2
225.07521	1.6
263.16595	1.8
277.14676	1.7
289.07147	1.6
315.07169	2.3
319.11880	1.7
344.15668	1.9
351.21851	2.7
353.23209	1.6
355.24985	2.6
357.26523	6.1
361.18640	1.4
373.25882	5.8
375.27628	2.4
420.59076	1.3
423.12946	1.8
445.29703	1.4
469.20801	3.6
487.34372	100.0
488.34656	10.9
586.25867	1.9
607.37885	4.7
613.18640	2.3
649.28510	87.2
649.37726	10.0
650.29010	13.6
650.38379	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	649.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.1
58.00584	1.5
59.01384	34.0
60.01718	0.7
67.87246	0.4
71.01388	17.6
72.99297	1.5
78.80865	0.4
83.01392	1.1
83.47083	0.4
85.02955	3.7
89.01891	0.9
89.02450	15.4
95.01378	1.7
101.02455	11.4
102.20960	0.4
113.02461	6.0
119.03516	4.7
191.91815	0.4
317.86029	0.4
328.83902	0.5
441.30188	6.4
442.30081	0.7
443.31577	1.1
487.30881	1.6
523.59717	0.4
606.39038	0.4
649.35968	100.0
650.36298	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	649.36
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	3.3
58.00574	0.6
59.01382	12.4
62.15196	0.3
69.03448	2.1
69.21696	1.0
69.22123	1.6
71.01382	6.6
72.99296	0.5
73.02924	0.5
73.56070	0.3
83.01378	0.7
85.02951	1.5
87.00886	0.5
89.02451	4.9
89.03516	0.3
95.01395	0.8
96.96017	0.7
101.02453	3.8
108.02196	1.3
109.02966	1.5
113.02466	1.9
119.03500	0.9
124.04926	0.3
125.02454	1.0
128.12732	0.4
139.00429	0.4
152.01176	1.4
153.01967	0.6
169.01479	0.8
201.11409	0.4
228.52837	0.4
261.07782	0.5
326.85535	0.5
371.24902	0.4
381.11786	0.7
381.28464	0.4
395.29764	0.4
397.31195	1.5
399.32703	7.1
400.33218	0.8
425.30765	1.3
441.30096	6.8
442.30325	0.9
443.31686	9.1
444.32095	1.5
445.29562	1.8
487.30670	38.0
488.31015	5.5
538.35748	0.4
567.24127	0.4
649.35980	100.0
650.36322	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	649.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72132	0.4
56.52626	0.4
61.84330	0.5
71.76295	0.8
77.38340	0.5
106.20341	0.5
112.54795	0.5
115.01839	0.6
117.03481	1.7
119.04990	0.6
120.47588	0.5
132.02190	1.5
132.85608	0.5
133.02968	31.6
134.03661	1.7
135.04555	7.0
137.02425	1.2
145.02962	1.6
158.92960	0.5
160.01707	0.7
161.02458	100.0
162.02785	4.2
163.04037	1.0
178.02866	0.6
179.03505	3.6
183.37271	0.5
192.49748	0.5
229.30713	0.7
247.50098	0.5
273.07120	0.6
464.75003	0.6
649.37494	90.6
650.37915	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	649.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68891	0.4
70.84750	1.1
98.94176	0.5
121.02986	0.7
132.02190	0.5
133.02962	13.6
133.84036	0.4
134.03767	3.7
135.04556	4.4
137.02493	2.2
149.02444	0.7
161.02457	31.1
162.02913	1.1
163.03882	0.4
178.02744	1.0
179.03487	1.4
225.96858	0.4
263.54086	0.5
321.55615	0.5
390.85855	0.4
469.33420	0.6
486.81512	0.4
508.81885	0.4
548.56195	0.5
587.38470	0.6
603.37299	1.3
605.38538	3.3
606.38959	1.0
649.37482	100.0
650.37866	21.2
650.48871	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	2.3
78.75591	0.8
79.91768	0.8
83.05027	1.2
91.88306	0.8
93.03471	3.0
96.96005	1.4
105.03450	1.0
109.02943	1.5
117.03490	3.7
119.05055	2.2
121.02974	7.0
122.03770	1.1
123.04528	3.2
124.01746	1.3
132.02185	1.4
133.02971	24.5
134.03777	10.6
135.04544	13.4
137.02461	11.2
139.04007	5.1
145.02991	3.9
148.01698	1.1
149.02457	6.3
150.03230	2.9
161.02455	54.8
162.02875	2.8
163.04077	3.5
177.01958	7.7
178.02737	5.0
179.03532	5.6
193.01501	1.4
226.75261	0.9
250.71233	1.0
254.67303	1.1
301.14444	4.6
311.55838	1.0
353.17612	1.8
369.20596	5.9
381.20770	2.7
383.22482	4.1
489.29810	1.5
503.31897	1.3
517.33386	1.6
519.27588	2.9
533.29358	4.2
534.30060	1.1
535.30200	1.1
571.38458	2.2
573.36096	8.3
574.36047	2.1
587.37537	17.2
588.38092	2.8
605.38220	7.3
615.36981	2.7
617.34204	4.9
619.36127	2.0
631.36407	26.4
631.46863	1.4
632.36554	4.2
649.37476	100.0
650.37842	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	649.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	0.8
69.92448	2.3
79.78719	0.6
93.03468	0.7
106.04266	0.6
117.03476	1.0
121.02969	1.1
123.04527	1.0
133.02979	18.3
134.03731	4.0
135.04541	7.1
137.02460	3.6
139.04056	1.9
145.02945	2.1
149.02458	1.4
150.57021	0.6
151.04027	1.5
161.02460	35.4
162.02823	1.2
163.04045	0.8
177.01953	2.3
178.02687	1.8
178.86182	0.5
179.03503	3.2
211.45097	0.5
235.92888	0.6
246.90115	0.6
301.14389	0.9
354.63834	0.6
369.20691	0.7
469.33304	2.2
535.30627	9.0
536.31177	1.1
538.82727	0.6
571.37958	6.3
573.35632	0.7
575.33997	0.8
577.35229	1.0
587.37689	5.3
588.37701	1.1
605.38477	6.2
606.39056	0.7
619.36444	0.8
631.36658	0.6
649.37451	100.0
650.37799	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	649.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.7
61.98813	2.1
71.76250	0.6
81.03451	0.7
98.22602	1.1
117.03497	3.0
119.05038	0.8
121.02965	2.1
123.04539	0.9
125.02465	2.3
132.02153	2.0
133.02971	36.3
134.03697	2.5
135.04538	11.8
137.02454	2.5
139.04025	1.0
143.39453	0.6
145.02998	7.6
160.84224	3.2
161.02461	100.0
162.02841	4.2
163.04047	0.9
164.04872	0.6
167.03506	6.0
169.01427	0.8
178.02788	1.0
179.03600	3.8
183.39581	0.6
197.04582	1.0
235.09845	1.1
279.08823	2.5
355.26782	0.7
399.13315	1.9
551.29010	0.6
571.29004	0.7
605.36005	2.0
649.37195	98.0
650.17133	2.5
650.37439	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.8
61.98818	1.1
69.45538	2.5
105.03465	1.4
117.03461	0.5
125.02439	0.7
132.02174	3.8
133.02971	12.9
134.03804	3.6
136.01657	0.6
137.02440	1.1
149.06116	2.3
160.01666	22.7
161.02441	2.9
175.04010	26.9
176.04341	1.5
177.01961	3.3
178.02596	0.6
193.05086	1.5
294.90707	0.5
455.31708	2.7
505.29700	0.5
520.32330	0.9
590.36133	1.2
605.38422	3.4
606.38770	0.9
634.35291	1.6
649.37463	100.0
650.37842	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	649.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
57.85827	0.9
80.50978	0.9
82.23360	1.1
93.03471	1.4
105.03500	1.2
107.05055	2.6
109.02997	1.7
117.03529	1.8
121.03004	2.0
122.35390	1.2
123.04539	1.4
132.02168	1.3
133.02968	26.2
134.03777	14.7
135.04538	100.0
136.04875	3.7
137.02443	6.2
147.48950	1.0
149.02495	1.8
161.02455	58.0
162.02805	2.1
165.02019	1.0
177.01935	5.8
178.02701	2.6
179.03510	76.5
180.03877	3.6
211.47260	1.0
241.62024	1.3
369.20804	1.5
509.01398	1.1
587.37433	62.8
588.37604	10.4
605.38354	2.0
631.36597	10.0
632.37311	2.1
649.37463	93.2
650.37842	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	649.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64637	1.5
63.57354	1.1
64.48391	1.3
66.32764	1.2
69.23438	8.6
69.23859	2.8
69.28817	1.3
82.29165	1.4
92.11188	1.6
95.06010	1.2
104.84673	1.2
109.02953	1.7
110.60162	1.3
117.03537	1.4
121.02975	6.5
132.02188	1.9
133.02975	37.3
134.03764	28.4
135.04553	21.9
137.02452	26.5
139.04031	7.3
148.05289	1.6
149.02460	2.2
149.05969	2.7
150.03224	4.5
151.04057	2.2
161.02458	78.9
161.06108	5.6
162.02911	4.5
165.01953	1.6
177.01903	4.3
178.02725	19.2
179.03519	17.6
188.26030	1.5
285.11481	1.8
287.12933	2.1
301.14529	5.2
301.71347	1.1
311.20242	1.5
313.14325	2.3
315.16098	4.5
353.17584	18.3
354.18030	1.8
355.19199	17.1
368.19839	10.6
369.20703	57.2
370.21115	6.9
397.20294	4.1
400.18991	3.8
402.20416	7.9
571.37921	40.4
571.46857	2.2
572.38635	6.7
587.37463	20.2
588.37769	3.2
615.36896	31.2
616.37500	5.7
617.35181	2.6
631.36438	7.7
632.37543	2.3
649.37512	100.0
650.37842	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
67.38319	1.0
93.03452	1.5
96.77305	1.1
103.99609	1.2
105.03476	1.8
109.02951	10.2
111.00861	1.4
121.02971	4.6
123.04479	2.5
132.02196	1.5
133.02963	29.6
134.03770	18.3
135.04535	17.9
137.02467	21.1
139.03987	6.8
148.01729	1.1
149.02451	6.1
149.06064	1.4
150.03279	1.9
151.04053	1.6
152.01228	1.1
161.02444	64.1
161.06114	2.1
162.02855	1.7
165.01901	5.8
177.01929	4.4
178.02716	10.3
179.03510	11.3
194.02037	1.2
251.28296	1.1
287.12918	1.4
301.14429	4.2
315.15927	1.8
353.17673	10.5
354.18057	1.9
355.19153	11.5
368.20004	5.0
369.20667	32.0
370.21240	5.9
400.18967	1.6
402.20581	6.3
571.37903	53.9
572.38239	9.8
587.37360	15.9
588.37970	3.9
605.38300	6.1
615.37006	19.6
616.37329	4.3
617.34875	1.9
631.36420	6.8
632.37225	2.4
649.37427	100.0
650.37732	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62209	1.1
54.38152	1.2
60.15602	1.0
69.23362	6.2
69.23767	1.6
90.51563	1.2
93.03459	3.0
98.22562	2.0
105.03481	2.1
106.04295	1.6
109.02962	4.3
121.02948	4.8
123.04562	1.8
133.02962	32.0
134.03764	24.5
135.04550	17.7
137.02464	24.5
139.04030	7.5
148.05321	1.2
149.02415	2.9
149.06076	4.5
150.03253	3.7
151.04010	2.0
153.01910	1.9
161.02460	64.9
161.06075	3.3
162.03027	2.5
165.01926	3.7
177.01913	3.3
178.02713	16.4
179.03523	12.1
194.02234	2.3
219.17426	2.1
226.54597	1.1
287.13062	3.4
301.14465	4.8
313.14456	2.4
315.16016	4.6
316.16132	1.4
353.17569	21.1
355.19153	17.0
356.19540	2.8
368.19824	7.4
369.20691	37.5
370.21298	4.9
381.98331	1.3
391.07272	1.2
397.20175	1.6
400.18964	4.7
402.20605	6.4
403.21341	1.8
569.36389	1.3
571.37793	12.8
572.38513	2.1
585.36029	1.4
587.37421	15.1
588.37854	3.7
605.38416	4.1
606.39215	1.3
615.37097	12.3
616.36993	2.2
617.34784	2.8
631.36487	8.3
632.37152	3.8
649.37488	100.0
650.37793	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	649.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
69.17582	6.5
83.05033	1.2
83.44268	0.8
84.90414	0.9
93.03442	2.0
96.96049	2.0
98.21812	1.9
101.55837	0.8
105.03475	1.4
111.00898	1.5
121.02949	4.8
122.03729	1.1
132.02220	0.9
133.02968	36.1
134.03772	20.9
135.04543	23.3
137.02455	35.5
138.02773	1.5
139.04030	8.6
145.02965	1.2
148.05313	1.5
149.02432	3.5
149.06049	2.7
150.03214	4.6
151.03963	1.7
153.01956	1.8
160.01587	1.3
161.02457	100.0
161.06110	2.8
162.02869	3.8
170.24759	0.9
177.01878	3.2
178.02724	17.6
179.03505	15.5
190.90842	1.0
194.02144	1.8
219.17574	2.2
258.16190	1.3
263.16364	1.8
287.12811	2.2
300.13596	1.4
301.14429	6.8
313.14532	1.3
315.16040	2.6
320.08572	1.1
323.41873	0.9
326.22580	1.1
352.16992	1.0
353.17612	65.2
354.18118	5.9
355.19196	11.1
356.19479	1.8
368.19937	20.1
369.20691	53.6
370.21194	6.0
371.87479	0.9
381.20740	3.8
385.20178	1.3
397.20184	7.4
398.20099	0.9
400.18893	19.5
401.19260	3.7
402.20505	8.9
403.20651	1.3
410.21097	2.6
479.29428	1.0
539.31946	1.4
555.34900	1.1
569.36407	6.1
570.36719	2.2
571.37988	39.4
572.38159	6.3
573.36145	1.8
586.36188	1.7
587.37360	29.3
588.37390	5.2
605.38727	2.0
615.37048	9.2
616.37354	2.5
617.35358	4.6
631.36462	5.9
632.36975	3.9
649.37482	86.9
650.37878	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	649.375
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69714	0.5
67.66792	0.5
70.09306	0.4
121.02913	0.5
133.02972	11.6
134.03778	4.3
135.00771	0.5
135.04529	4.9
137.02423	2.8
139.04025	1.2
145.02965	0.6
149.02444	0.5
161.02458	30.9
162.02798	0.6
177.01932	0.9
178.02747	1.4
179.03479	2.6
184.66789	0.4
218.24463	0.5
265.12387	0.5
299.44983	0.6
301.14603	0.6
315.15976	1.0
369.20697	8.1
369.24820	0.8
370.20825	0.8
463.30383	0.6
469.33240	0.8
587.37762	2.7
603.37256	0.8
605.38776	2.7
631.36023	0.6
649.37469	100.0
650.37817	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	649.375
Annotation	Unknow
Peak:m/z	Relative Intensity
60.93288	0.3
100.23523	0.4
105.03467	0.5
115.28168	0.4
117.03504	0.9
119.05032	0.7
121.02970	1.4
132.02168	1.8
133.02965	28.8
134.03859	3.1
135.04546	8.0
137.02451	2.6
139.04048	0.9
144.59224	0.5
145.02966	0.6
154.44225	0.4
161.02454	82.9
162.02815	4.2
164.83586	0.4
178.02721	1.2
178.65588	0.4
179.03516	2.5
278.22665	0.4
328.90958	0.4
513.32434	0.5
553.32501	0.4
587.37366	0.8
600.17035	0.4
605.38428	0.5
649.37439	100.0
650.37811	20.8
650.48901	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11631	0.4
59.01355	0.5
61.98827	0.8
66.52481	0.4
70.33351	0.8
71.76291	0.5
93.03472	0.4
105.03496	0.9
107.57905	0.4
111.04520	0.4
117.03484	1.3
119.05050	0.9
121.02966	2.5
123.04552	0.5
132.02190	1.1
133.02966	29.1
134.03809	2.0
135.04533	7.7
137.02423	1.4
139.04013	1.0
145.02968	1.9
149.02443	3.4
149.95691	0.4
161.02458	87.3
162.02808	3.5
163.04039	0.6
166.98036	0.4
177.01935	1.2
178.02747	0.5
179.03505	4.9
181.05066	0.6
236.15009	0.4
411.32739	0.5
455.31378	0.5
575.37604	0.6
587.37677	1.1
605.38538	9.0
606.38477	1.6
619.36591	2.3
638.89899	0.6
649.37463	100.0
650.37799	18.2
650.54279	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05362	0.4
60.13591	0.6
66.59399	0.4
70.47704	1.1
70.48064	0.8
71.76317	0.7
95.43188	0.4
117.03504	1.2
121.02993	0.9
132.02191	1.3
133.02969	21.3
134.03812	2.5
135.04541	15.0
137.02440	1.9
145.02988	0.9
159.07179	0.4
159.68401	0.5
161.02457	65.6
162.02817	2.4
162.83977	0.6
178.02794	0.6
179.03497	9.6
179.04942	0.8
230.21713	0.5
587.37518	13.3
588.37738	2.4
605.38007	1.5
631.36377	1.4
638.89703	0.6
649.37488	100.0
650.37842	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	649.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26270	0.4
61.98818	0.6
63.55285	0.4
68.06548	0.5
69.65511	0.8
69.65894	1.2
74.69966	0.4
74.99934	0.4
76.25928	0.5
84.48380	0.5
87.09576	0.4
93.03455	0.8
96.96019	1.1
102.36768	0.4
105.03455	0.6
107.05095	0.5
109.02963	1.4
117.03483	1.3
119.05046	0.8
121.02950	2.2
123.04550	1.1
132.02197	1.0
133.02971	38.8
134.03870	2.5
135.04544	5.1
136.04840	0.8
137.02489	3.0
139.04103	1.1
143.57028	0.4
145.02971	1.6
149.02493	2.1
150.03239	0.7
151.04015	5.5
160.01631	0.7
161.02460	21.1
162.02794	3.0
163.03995	1.4
175.03998	0.6
177.01944	21.6
178.02518	1.5
179.03508	3.6
180.03819	0.7
236.07426	0.5
301.14481	1.0
350.95117	0.5
369.20761	1.2
381.20651	0.5
391.96686	0.4
453.34113	0.9
469.33133	2.9
470.33301	0.5
571.37720	0.9
587.37769	2.1
603.36877	0.6
605.38361	1.5
617.35059	0.8
631.36328	1.9
649.37445	100.0
650.37769	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3962
Annotation	Kolokoside A
Peak:m/z	Relative Intensity
55.01859	4.8
57.03437	3.8
59.01382	38.4
61.98843	14.3
63.59581	3.1
70.36754	4.8
70.37099	4.6
71.01389	83.4
72.99317	3.1
73.02956	27.2
79.90762	3.0
83.01388	15.9
85.02959	42.8
86.00130	3.9
87.00861	4.4
87.15456	3.3
87.79971	3.0
89.02448	18.8
93.27793	3.2
95.01411	9.1
96.95992	4.0
99.00890	9.6
99.31858	3.1
101.02450	73.1
107.74439	3.4
113.02468	38.6
116.22762	2.9
119.03500	4.8
125.02467	6.4
143.03474	5.3
159.02985	9.3
161.04587	56.9
169.01416	4.2
191.49359	3.0
229.06897	3.2
431.52472	3.4
443.35104	3.1
487.34122	4.9
605.40601	9.6
649.29102	10.1
649.39551	100.0
650.40179	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.4113
Annotation	Unknow
Peak:m/z	Relative Intensity
60.07994	1.0
60.80554	0.8
64.03419	0.9
87.04556	1.5
95.01427	0.9
95.05022	1.5
97.02996	1.4
109.06610	2.6
111.04545	9.0
113.09760	4.4
123.08142	6.3
138.03268	2.2
139.04019	11.3
153.05653	1.1
165.02032	2.0
165.09235	16.4
166.02722	7.9
167.07127	7.8
174.69868	1.0
181.08710	38.9
182.09023	4.6
183.09268	1.0
193.05081	2.0
193.08559	1.0
195.06723	1.4
205.08789	3.6
207.06665	4.1
207.10352	3.4
208.07417	44.8
209.08188	65.4
210.08624	3.8
219.06725	2.7
221.11945	2.1
232.11021	1.0
233.08194	16.4
234.08652	1.1
245.11914	8.0
247.09789	3.6
262.29623	1.0
263.12897	5.3
287.12878	2.3
343.22879	1.6
357.17157	7.9
369.28088	2.5
399.25586	1.6
401.16064	65.3
402.16559	8.5
412.22202	2.5
413.23032	8.2
413.27744	15.7
414.27551	2.8
429.19287	4.4
444.21527	13.8
445.22406	2.5
649.41217	100.0
650.41620	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	650.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19307	6.4
55.33321	5.7
55.92656	5.3
57.03451	12.1
59.01382	46.3
61.98841	39.3
71.01392	48.8
71.27956	8.2
73.02940	16.9
75.97867	6.7
79.05112	6.3
83.01406	7.1
84.09714	6.7
85.02963	25.2
88.98833	6.8
89.02454	14.6
99.00886	11.8
100.82660	5.5
101.02454	40.4
108.02164	10.5
109.02991	6.2
113.02452	18.3
116.92894	7.1
117.03493	7.7
121.02946	5.6
125.02427	6.2
133.02945	31.3
145.02963	24.3
153.53160	6.6
160.84210	63.9
161.02455	88.2
161.04477	30.5
168.39163	7.2
170.91118	7.0
179.07066	7.3
209.08183	8.0
209.11862	15.0
212.70242	5.6
325.10846	5.7
429.30219	8.3
445.29651	14.4
469.02115	6.5
471.17975	8.9
489.34122	22.1
562.76379	6.8
607.34735	66.0
650.17096	12.9
650.36237	28.5
651.36066	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	651.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61541	0.6
59.01365	2.7
67.01935	1.0
69.06651	2.3
69.07078	3.0
71.01383	2.8
72.99260	0.7
73.02902	1.0
78.77638	0.7
79.01897	0.8
83.01400	1.1
85.02954	1.9
87.00896	1.4
89.02414	1.0
93.03444	1.1
95.01393	1.6
98.22558	1.5
101.02449	2.6
107.01387	6.1
107.05010	0.7
109.02921	1.1
109.06590	1.0
111.00872	3.7
113.02465	1.4
116.92839	1.1
121.02901	0.7
123.00909	10.0
124.01679	1.4
125.02456	35.1
126.02758	1.2
127.00399	0.9
136.98856	1.1
138.99452	0.7
139.00388	4.3
140.01204	3.7
141.01984	1.0
149.83197	0.7
151.00362	6.8
153.01898	1.0
163.03995	1.4
167.03525	0.8
168.00612	5.0
169.01425	44.3
170.01788	1.9
175.82034	0.8
177.01924	0.8
187.50714	0.8
193.04965	0.9
283.06076	0.8
284.06757	2.2
312.06403	14.6
313.05658	4.0
327.08752	19.2
328.09088	1.7
481.16922	2.3
489.14032	2.5
499.18268	25.2
499.25632	1.2
500.18512	3.0
651.19263	100.0
652.19678	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31839	0.5
57.03440	0.9
59.01360	1.0
66.32088	0.6
69.06936	5.0
78.95906	0.6
83.05007	0.7
85.06610	1.4
95.05044	0.5
109.06602	73.7
110.06951	2.5
111.04516	5.6
113.09740	4.5
141.09210	0.7
153.05591	100.0
154.05907	3.6
155.10757	0.8
163.04094	0.6
165.09187	1.0
174.02060	0.6
179.07132	1.0
181.08716	27.6
182.09064	1.3
190.02788	0.9
191.03528	1.6
191.07199	0.5
195.06648	1.1
203.07106	1.0
207.06641	0.8
209.08240	1.9
215.07253	0.8
217.08638	0.8
218.02153	1.4
218.05862	0.6
219.06612	1.4
221.08194	1.8
225.07651	2.4
233.08229	5.2
235.13420	0.9
243.06657	1.8
246.05295	4.4
259.09772	1.0
261.07690	57.0
262.08347	10.9
263.08914	0.7
275.09335	0.7
277.14459	4.4
283.09747	0.7
303.08862	1.9
327.08841	1.3
329.13971	1.2
331.15634	0.8
343.15665	0.8
345.20633	1.8
347.14990	2.1
355.11987	1.9
356.12680	1.2
369.13779	0.7
371.14938	6.0
389.19846	2.0
397.12952	2.9
398.13657	0.8
413.19797	2.3
415.13907	15.6
416.14410	1.8
425.19675	1.1
429.22748	3.0
453.19394	0.6
469.18878	2.6
651.31519	1.6
680.91492	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.0
61.98820	1.0
69.03096	3.8
73.45136	0.5
75.63803	0.5
83.05003	0.7
84.07745	0.5
85.06607	3.4
86.38242	0.5
87.04508	0.7
109.02898	1.0
109.06603	71.1
110.06924	2.3
111.04545	7.5
113.09749	4.7
123.08199	1.2
125.02428	0.6
129.62589	0.5
141.09241	3.9
151.04056	0.6
153.05591	100.0
154.05937	3.6
155.10788	1.4
162.03217	0.7
163.04030	0.6
163.11235	0.9
165.09224	1.3
167.07141	0.9
173.09702	0.7
179.07121	1.0
181.08720	34.6
182.09128	1.6
183.06633	1.1
191.03514	1.9
191.07211	0.5
195.06635	2.0
198.49197	0.5
203.07085	0.9
205.04982	0.6
205.08833	0.8
207.06639	1.4
207.10284	0.6
209.08173	5.0
217.01422	0.9
217.08679	1.2
218.02258	1.1
218.05862	0.8
219.03041	0.6
219.06668	1.4
221.08185	2.5
223.06131	3.8
225.07739	5.9
233.08205	4.5
235.09778	0.9
235.13509	0.9
243.06610	1.7
246.05392	3.3
247.05940	0.7
247.09753	0.8
247.13423	3.0
259.09738	1.0
261.07697	55.4
262.08322	11.5
263.08945	0.9
277.14423	4.8
278.14841	0.6
285.07745	0.9
294.36655	0.5
303.08853	2.2
316.26447	0.5
327.08734	1.8
329.13977	1.4
331.08209	3.5
343.15479	1.5
345.20685	2.3
347.15030	3.8
355.11899	6.4
356.12439	0.6
369.13327	2.7
371.15030	5.6
372.15250	0.9
381.09720	1.2
389.19739	2.2
395.11368	1.9
397.13058	3.1
409.74875	0.6
413.19650	7.0
414.19803	0.8
415.13846	20.1
415.21326	1.3
416.14368	1.7
425.19888	1.3
427.21384	3.6
429.22781	7.3
453.19070	2.7
455.20917	0.9
469.18631	3.4
471.20001	3.3
483.20047	1.4
563.30371	0.7
589.28119	2.3
607.29272	1.4
633.26923	5.1
634.27484	0.8
651.11517	0.7
651.31476	3.8
675.55023	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	2.2
69.06501	12.0
77.36352	1.3
78.95928	3.0
85.02949	4.8
85.06602	3.4
87.04494	1.3
90.88827	1.4
92.00117	1.3
95.01380	4.4
95.05054	1.9
109.02934	1.7
111.04530	12.1
113.02462	8.7
113.09748	1.9
117.94901	1.4
125.02461	6.9
135.64099	1.3
137.02417	1.8
137.09683	1.8
138.03185	1.7
148.02519	1.6
152.99629	2.0
154.90216	1.6
155.07085	1.8
159.21790	1.5
163.07639	2.1
165.05603	3.1
166.06332	2.9
176.33702	1.5
177.05513	1.8
179.07135	5.6
181.08714	14.3
181.89111	1.3
182.08990	2.4
183.05110	2.6
183.06636	35.3
184.07024	2.1
194.05807	1.8
195.06596	15.0
207.06654	10.4
208.07176	1.5
209.08148	1.8
210.05397	1.6
225.07692	98.1
226.08046	5.4
237.07689	68.7
238.07954	4.8
244.76173	1.4
255.23137	2.6
261.07761	1.7
285.07785	4.2
297.80960	1.5
301.10684	1.5
337.10965	2.0
343.15720	3.2
355.11884	72.5
356.12222	13.0
357.12579	4.7
367.11890	10.4
413.19702	100.0
414.20035	16.5
415.13916	4.4
415.21472	12.4
425.19653	10.9
463.14014	1.8
469.18936	1.9
521.21936	2.7
591.26257	2.3
633.27185	17.3
651.26807	37.1
651.37097	3.2
652.28522	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	651.303
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56141	0.7
55.01875	1.1
57.03453	1.5
58.00608	0.9
59.01382	12.0
61.98820	2.7
71.01388	15.2
72.53957	0.8
72.99320	0.9
73.02951	4.0
81.03457	1.7
82.64794	0.9
83.01395	2.5
83.18865	0.8
85.02956	10.0
87.00871	2.8
87.04513	2.5
88.98795	1.4
89.02451	8.6
93.03466	1.5
95.01398	3.2
96.96004	2.9
97.02994	1.9
99.00894	3.7
101.02452	10.8
108.02184	64.1
109.02972	35.7
109.03723	1.7
110.03268	1.0
113.02457	7.7
116.92846	2.1
117.03511	0.7
119.03506	3.7
121.02943	1.3
123.00880	3.1
123.04530	1.7
125.02413	4.0
133.02963	1.1
135.00841	1.1
135.04555	2.0
137.02470	2.4
137.09747	2.2
139.04105	0.8
139.11221	1.0
143.03473	2.3
149.02408	0.9
151.04021	2.9
152.01169	63.2
153.01956	17.0
153.05579	1.1
155.98494	0.8
159.03008	0.9
161.02472	1.9
161.04575	7.1
163.03995	2.0
165.01941	1.3
169.01479	2.0
176.83081	0.7
177.01889	2.2
179.03493	1.3
179.05598	1.5
181.12358	0.9
183.10306	0.8
185.11891	1.0
193.08678	1.0
208.10109	0.8
253.04918	0.8
269.04599	2.5
297.04019	8.7
298.04514	1.5
312.06436	11.2
313.07104	3.6
315.07162	6.4
323.09930	5.7
327.08792	4.8
328.06082	1.0
343.08286	1.5
353.23264	0.9
355.24905	2.0
357.26447	2.2
367.21307	0.8
393.19055	0.8
423.95831	0.9
446.29675	1.2
447.31082	1.1
471.18805	0.8
489.31885	4.5
489.36197	3.6
651.30115	100.0
651.40308	15.0
652.30304	14.1
652.40259	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79773	0.6
59.01370	2.0
61.98832	1.6
71.01376	2.3
71.27965	1.3
79.81493	0.8
85.02972	1.2
89.02464	1.0
93.03474	0.7
101.02442	1.6
107.90941	0.7
108.02191	2.4
109.02972	1.6
111.04507	1.0
113.02467	1.6
116.92868	0.9
117.03503	1.4
119.05016	2.1
121.02943	1.1
122.06143	0.8
123.04524	1.6
125.02429	1.1
132.02191	1.8
133.02972	27.7
134.03735	1.5
135.04550	6.6
137.02426	1.7
139.04027	1.2
145.02965	4.5
149.02440	1.9
150.03204	1.0
151.04083	0.9
152.01234	1.0
161.02461	73.7
162.02785	2.8
163.04059	2.2
177.01884	1.4
179.03543	2.8
262.23843	0.8
283.08725	0.7
291.11411	0.8
292.12204	0.8
293.12952	1.0
446.30069	1.6
471.31134	0.9
492.21219	1.7
583.25684	1.4
607.36334	6.8
615.28253	1.5
651.35413	100.0
652.35803	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	651.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
57.66303	0.2
58.00585	0.2
61.98827	0.5
66.46838	0.2
70.40634	0.5
71.36359	0.2
71.83554	0.3
73.02954	1.6
80.70932	0.2
85.02938	0.4
88.31932	0.2
105.03461	0.6
106.04262	0.3
109.57043	0.2
111.04520	0.3
117.03455	0.5
121.02953	0.8
123.04514	0.3
132.02194	1.8
133.02968	30.0
134.03816	2.9
135.04543	7.4
136.04846	0.4
137.02438	2.2
139.04004	0.7
145.02972	0.4
153.45935	0.2
160.01653	0.3
161.02454	83.1
162.02792	3.3
177.01994	0.7
178.02742	1.5
179.03493	2.1
209.08223	0.3
225.07573	0.2
471.31158	0.6
489.32275	0.6
515.30652	0.3
607.36340	3.2
608.37018	0.6
611.76825	0.2
636.98120	0.2
651.35382	100.0
652.35724	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38369	0.3
61.02979	0.3
61.98846	0.9
69.49046	1.5
71.81255	0.3
71.83577	0.6
72.92178	0.3
73.02943	1.7
74.76947	0.3
77.18060	0.3
98.22489	0.4
105.03471	0.6
117.03504	0.8
121.02975	1.2
125.10105	0.3
128.37924	0.3
132.02203	1.5
133.02968	32.6
134.03833	3.1
135.04549	8.5
136.04823	0.4
137.02464	2.7
139.03999	0.7
145.02962	1.8
152.85519	0.3
161.02457	88.3
162.02786	3.2
163.03987	0.6
178.02692	1.2
179.03455	2.7
326.21664	0.4
422.73340	0.3
471.31201	0.7
607.36450	3.8
608.36316	0.7
633.38116	0.5
636.97302	0.5
651.35388	100.0
652.35760	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	651.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15001	0.7
61.31132	0.8
69.20041	4.8
98.22629	0.7
101.34835	0.8
109.06571	0.7
111.04548	1.8
113.09740	7.6
140.62000	0.8
151.07616	0.8
165.09279	1.0
181.08723	59.9
182.09023	3.3
189.12842	1.3
195.06668	2.3
203.10852	1.1
207.06659	2.4
209.08202	2.7
221.08157	1.2
233.08208	13.1
234.08455	0.9
235.09653	0.9
261.07697	11.4
263.58310	0.9
276.09995	1.6
287.09494	1.2
287.12885	2.2
301.10831	5.1
301.17987	1.0
315.12442	1.4
323.76767	0.9
345.17151	11.6
346.17273	1.0
377.88153	0.8
385.16574	1.0
414.12927	1.6
415.21164	100.0
416.15854	1.2
416.21552	10.9
429.19244	3.0
456.59766	0.8
469.18759	1.8
469.25769	15.3
470.26746	2.0
609.23328	0.9
651.35461	85.8
652.35895	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03380	1.1
58.96601	0.6
78.95813	2.2
81.14005	0.5
93.25457	0.7
109.06505	0.9
111.04524	3.6
113.09747	8.0
125.95599	0.5
163.11331	7.0
166.06215	0.8
181.08714	67.1
182.08893	2.5
189.12773	1.5
195.06573	1.1
207.06630	0.8
207.10179	1.8
208.07333	0.9
209.08095	2.3
219.06609	1.4
221.08087	0.8
231.10284	0.9
233.08194	6.5
245.07939	0.8
255.23129	2.6
259.09583	1.0
261.07712	9.9
262.07932	1.1
293.35666	0.7
301.10767	2.7
315.12231	0.8
345.16699	2.9
415.21252	100.0
416.21631	10.4
429.19235	2.1
469.25726	4.4
604.32861	0.7
619.36481	1.9
651.35681	29.6
652.36194	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	651.3758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48431	0.7
53.22459	0.8
56.05600	0.7
58.00597	0.8
59.01384	59.8
60.01703	1.0
61.98820	3.0
69.45988	3.3
71.01384	11.7
72.99323	0.7
73.02940	1.8
82.95438	1.0
83.01402	1.4
85.02964	5.8
87.00894	0.7
89.02452	8.3
89.64190	0.8
93.03434	0.9
95.01425	1.6
96.96021	0.8
97.02979	0.9
99.00871	1.4
101.02443	7.8
108.02180	4.6
109.02991	4.6
111.00876	0.9
113.02470	7.6
113.03192	1.1
117.03487	1.6
119.03562	5.5
119.05049	1.7
121.02956	1.9
123.00903	0.9
123.04528	2.1
125.02453	2.1
135.04515	1.2
136.01720	1.0
137.02448	1.6
139.00397	0.7
143.03502	1.8
145.02957	6.5
149.02426	0.8
151.03949	1.3
152.01169	4.4
153.01913	1.7
158.52679	0.7
161.02505	1.3
161.04533	5.4
161.05679	0.8
163.03973	1.4
165.05565	1.8
169.01472	1.2
179.05698	1.2
191.07214	0.8
193.08698	6.7
209.08229	0.9
213.15117	0.8
221.06570	1.2
253.10762	1.1
307.08307	3.2
312.13736	0.9
323.09769	3.2
327.16052	1.1
329.13904	0.9
385.58420	0.7
429.30106	100.0
430.30505	14.2
443.31763	3.6
445.33359	1.1
456.15668	1.2
459.18405	0.9
459.30930	0.9
471.18210	5.3
471.31131	2.1
489.19125	1.9
489.32959	1.6
582.28412	0.9
591.35284	2.1
651.28979	7.3
651.38232	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	651.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.7
58.00603	1.1
59.01382	35.1
71.01385	17.0
72.01716	0.6
72.99300	1.9
73.02945	0.6
79.23038	0.5
83.01368	0.9
85.02956	3.6
87.00875	0.5
89.01904	0.8
89.02453	16.2
95.01386	1.7
95.05011	0.6
96.95988	0.5
98.22512	1.2
101.02448	12.8
111.00853	0.7
113.02457	6.6
119.03520	4.4
125.02457	0.5
131.03487	0.5
136.97191	0.4
137.02348	0.4
169.01427	0.6
367.00760	0.4
443.31671	5.2
444.32144	0.6
445.33835	1.0
489.32306	1.6
651.37531	100.0
652.37885	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3912
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00560	0.7
60.01684	0.7
67.15221	0.9
68.17900	0.7
75.28383	0.7
93.03471	12.2
98.21756	1.5
121.02963	16.1
122.03764	8.1
123.04538	22.6
124.01664	0.9
124.04874	1.3
124.15686	0.7
132.02126	1.3
133.02982	3.6
134.03769	2.0
135.04532	8.6
137.02452	5.6
139.04027	22.9
145.02992	1.0
148.01675	7.4
149.02452	100.0
150.02818	4.0
151.04051	1.9
154.02711	1.7
160.01669	2.0
161.02457	5.6
162.02751	1.0
165.01961	1.4
167.03539	3.4
169.76547	0.7
175.04016	1.7
179.03546	1.1
197.04503	0.9
330.01474	0.7
332.99701	0.7
439.32117	1.4
453.33881	4.5
454.33945	0.9
469.33234	1.2
470.33942	0.9
471.34946	9.4
472.35101	2.1
497.32602	1.0
554.51550	0.8
575.37195	1.6
576.38379	1.0
577.38867	8.2
578.39514	1.9
621.38000	95.0
622.38336	19.0
633.37915	3.6
651.39020	65.4
652.39392	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	651.3903
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.9
63.02062	0.6
67.01887	0.6
67.15179	0.7
67.65192	0.6
69.27552	5.0
72.99304	3.2
87.00957	0.7
87.73604	0.7
93.03469	12.6
95.05040	1.2
106.33013	0.7
108.02166	0.9
121.02961	14.7
122.03776	7.1
123.04538	28.3
124.01641	1.8
124.04811	0.8
132.02142	1.2
133.02982	5.1
134.03766	1.6
135.04533	13.3
136.01622	2.0
137.02441	10.3
139.04025	24.5
140.04359	1.1
148.01668	7.1
149.02455	84.8
150.02817	3.8
151.04016	9.7
154.02786	1.8
161.02452	6.4
162.02789	1.5
165.01891	1.0
167.03514	3.7
175.03952	0.7
179.03525	6.0
197.04535	6.8
208.71693	0.6
429.33392	0.9
439.32306	1.4
453.33682	3.2
454.34213	1.2
469.33270	1.3
471.34766	8.9
472.34872	1.5
497.32510	1.4
575.37024	1.5
577.39038	6.3
578.39337	0.9
621.37994	100.0
622.38330	19.1
633.38055	10.1
634.38361	1.1
651.39044	78.6
652.39313	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	651.3905
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40657	0.9
51.33927	1.1
69.17429	2.1
69.17831	6.0
72.17582	0.9
89.02508	0.9
90.05421	1.0
93.03472	12.9
95.05025	1.4
98.21734	1.8
100.91325	0.9
107.23954	0.9
117.03487	5.1
117.43787	1.0
119.05090	1.7
121.02961	12.7
122.03722	5.2
123.04548	12.5
124.01689	1.5
125.06068	1.4
133.02954	5.8
134.03773	2.7
135.04532	8.3
136.82793	0.9
137.02461	3.6
139.04025	17.1
139.05020	1.3
145.02968	13.9
146.03296	1.3
148.01671	6.5
149.02449	77.8
150.02815	2.2
151.04047	1.5
161.02441	9.8
165.01953	1.3
167.03516	2.1
196.30916	1.0
225.07863	1.2
253.21823	1.0
268.26959	1.0
302.08133	0.9
439.32358	1.2
453.33954	6.9
469.33612	1.3
471.34747	9.9
472.34958	1.2
490.47498	1.2
497.32840	2.4
577.39032	3.8
621.37970	100.0
622.38379	17.7
633.38312	2.7
651.39069	94.4
652.39307	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	651.3904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47869	0.4
59.01377	1.2
69.20785	3.0
71.83709	0.7
81.63089	0.5
89.02433	0.7
95.05000	0.5
101.16332	0.4
105.03484	0.6
106.48972	0.6
117.03451	0.8
117.73885	0.5
121.02979	0.7
132.02176	2.1
133.02966	30.4
134.03786	2.2
135.04530	7.4
136.04832	0.7
137.02457	2.0
139.04007	0.5
145.02995	0.8
149.21977	0.4
160.01726	1.0
161.02458	78.4
162.02829	5.0
162.04099	0.8
175.04012	0.6
178.02686	0.8
179.03525	1.7
253.21831	0.9
253.47728	0.5
359.35318	0.5
397.13141	0.5
515.33765	0.7
524.53107	0.4
541.95129	0.5
600.51782	0.5
621.36975	0.7
636.94244	0.5
651.38995	100.0
652.39325	18.5
665.97278	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96852	0.4
57.02431	0.4
59.01400	0.7
61.98817	0.9
69.40561	2.3
71.83682	0.5
73.73751	0.4
87.04517	0.3
96.64223	0.3
98.22617	0.4
105.03477	0.6
114.66391	0.3
117.03500	1.9
119.05041	1.3
121.02968	3.8
123.04571	0.5
130.07025	0.5
132.02168	1.7
133.02968	25.6
134.03844	2.9
135.04539	7.4
137.02454	2.6
139.04013	0.8
144.37476	0.4
145.02962	2.8
161.02454	74.0
162.02773	3.2
165.01884	0.4
177.01894	0.5
178.02693	0.9
179.03506	2.7
225.38060	0.4
232.62489	0.4
405.85977	0.4
469.33313	0.6
489.31805	0.4
633.37854	3.3
634.38550	0.5
636.94580	0.6
651.39081	100.0
652.39398	20.3
652.50616	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98845	0.8
62.93872	0.4
69.52139	0.9
69.52542	0.9
71.83684	0.4
73.02950	0.8
89.12529	0.4
95.02423	0.4
105.03460	0.5
121.02986	2.2
123.04555	0.4
132.02188	0.6
133.02971	16.0
134.03833	3.2
135.04553	5.5
137.02455	3.3
139.04034	0.7
145.03001	0.6
149.02515	0.4
150.03052	0.4
161.02461	34.7
162.02827	3.1
178.02739	1.0
179.03523	1.3
183.77919	0.4
236.99617	0.5
401.79596	0.4
577.35822	0.4
589.36212	0.4
607.40192	3.9
608.40521	0.8
633.35101	1.5
651.39032	100.0
652.39374	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	651.3908
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98842	1.5
61.99488	0.7
70.28630	1.6
80.91409	0.7
93.03476	5.3
108.02166	1.0
109.02965	3.1
121.02966	6.6
122.03762	8.8
123.04539	12.1
124.01652	1.4
133.02956	4.2
134.03694	1.1
135.04518	3.5
136.01672	1.5
136.04935	0.8
137.02461	74.3
138.02834	2.4
138.86115	0.7
138.96675	0.7
139.04021	11.4
148.01649	1.5
149.02463	17.3
150.03250	18.0
151.04051	3.7
154.02744	2.2
161.02441	7.2
162.02811	1.2
165.01889	2.1
166.02605	0.8
177.01939	23.5
178.02386	0.9
179.03491	2.1
184.73624	0.8
195.03030	0.8
228.83894	0.7
276.53232	0.7
437.34332	8.8
438.34384	1.0
453.33871	1.1
455.35538	0.9
457.55072	0.8
473.79797	0.7
483.09735	0.9
537.31299	1.0
589.38623	6.9
590.38867	0.8
605.38806	1.3
633.38019	100.0
634.38306	20.0
651.38788	29.8
652.39264	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	651.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28919	0.5
69.47105	3.2
69.88509	0.5
71.83694	0.8
84.61732	0.5
97.74280	0.7
100.38817	0.5
102.49255	0.5
112.76595	0.6
117.03495	1.8
119.05033	0.8
121.02956	1.3
132.02141	1.4
133.02969	28.8
134.03719	2.3
135.04539	7.5
137.02451	2.7
139.03992	0.8
139.45393	0.6
145.02972	8.2
161.02461	76.7
162.02789	3.5
178.02789	1.1
179.03481	2.1
215.92499	0.6
273.64114	0.5
288.05551	0.6
356.50116	0.6
389.96158	0.6
484.34393	0.6
633.37286	0.6
651.39099	100.0
652.39484	21.3
652.50647	0.9
678.16779	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.39
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36036	1.0
59.01379	1.3
61.98819	2.4
69.70015	4.2
93.03498	1.7
103.67058	1.0
104.09905	1.0
105.03625	0.9
109.02973	1.1
117.03497	4.4
117.08284	0.9
119.05070	2.2
121.02973	19.3
122.03372	1.3
123.04528	1.3
133.02968	19.6
133.03905	1.7
134.03764	10.2
135.04543	23.9
137.02446	10.2
139.04044	2.6
145.02971	11.1
146.03357	2.8
149.02574	1.3
150.03235	1.2
161.02452	36.3
161.03738	1.9
162.02806	2.7
163.04097	1.8
171.24828	1.0
178.02780	4.3
179.03511	20.7
347.37402	1.0
369.21082	1.5
383.41711	1.2
461.67484	1.0
486.20328	1.1
537.28894	1.8
571.38635	2.2
607.38043	1.1
633.37762	3.3
651.39020	100.0
652.39349	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	651.3913
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45768	0.4
61.98840	7.1
66.94811	0.7
69.32552	0.5
69.66452	1.8
73.02930	1.4
82.01921	0.4
83.69603	0.5
85.67535	0.5
89.03967	0.5
90.02901	0.4
92.00426	0.4
93.03402	0.5
105.07704	0.5
106.57510	0.4
107.76514	0.6
108.02142	0.9
117.03475	23.0
118.03785	0.8
119.05049	6.1
121.02971	2.9
123.04504	1.5
125.02474	0.5
133.02945	3.9
134.03342	0.5
135.04524	1.4
137.02464	1.0
145.02963	69.5
146.03294	2.8
149.02466	0.5
152.17686	0.6
160.01691	0.8
161.02455	5.8
162.02788	1.0
163.04034	2.9
175.04057	1.6
177.01962	0.5
179.03569	0.5
195.06522	0.8
217.05107	0.8
225.07664	1.0
251.09511	0.6
259.90030	0.5
279.06540	0.4
325.10880	0.6
355.11887	2.0
427.21017	2.7
487.34616	1.1
561.72668	0.5
589.26654	1.8
589.38086	0.7
607.40302	2.3
633.37500	0.9
636.36005	0.6
651.39069	100.0
652.39362	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	651.3907
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91148	0.7
59.01377	0.9
61.98826	1.6
71.28142	0.8
79.06168	0.6
83.78777	0.5
93.03453	1.3
95.05023	0.6
96.95997	0.6
100.03104	0.6
108.02216	0.7
109.03014	0.7
117.03469	0.9
119.05036	0.8
121.02934	3.4
123.04523	1.4
132.02168	0.7
133.02962	19.7
134.03741	2.1
135.04565	3.9
137.02458	1.9
139.04056	0.7
139.71364	0.5
145.02972	1.4
149.02483	1.5
151.03998	0.9
161.02454	59.6
162.02846	2.1
163.04025	2.2
165.09163	0.7
177.02063	0.9
178.02672	0.8
179.03520	1.4
183.06732	0.7
188.99118	0.7
209.08223	2.5
225.07773	1.6
246.49429	0.6
248.37082	0.6
279.12463	1.7
309.07755	1.7
310.08508	2.3
324.10019	1.3
325.10800	9.3
326.11206	1.6
348.53906	0.5
397.08725	0.5
489.32202	3.7
607.39740	0.7
644.97339	0.5
651.39075	100.0
652.39459	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17975	1.2
55.01878	4.5
57.03463	2.7
58.00603	2.2
59.01384	27.1
61.98835	4.3
71.01389	42.8
72.01718	1.6
72.99299	2.5
73.02959	13.9
73.21495	1.0
75.00901	1.3
78.60430	1.2
78.95901	1.1
83.01386	8.0
85.02959	22.2
85.03420	1.5
87.00887	2.7
88.98821	4.5
89.02451	15.2
95.01411	4.5
97.02975	2.1
99.00903	5.0
100.85071	1.0
101.02449	32.9
108.02237	2.9
108.59962	1.3
109.02994	1.6
111.00906	4.0
111.04553	1.6
113.02466	14.0
119.03541	3.9
121.02949	1.7
123.04588	1.7
125.02448	2.8
133.02982	2.1
135.04561	1.5
137.02467	1.6
141.01953	1.5
143.03636	1.3
157.40858	1.1
159.03017	2.8
161.02496	5.2
161.04579	7.6
179.05640	1.3
179.10736	1.2
205.08635	1.6
209.08267	1.8
209.11897	6.9
223.09776	3.4
306.07730	1.5
327.29031	2.8
360.11780	1.2
397.20694	1.3
415.21494	1.9
445.33060	1.8
471.18314	4.4
471.32913	2.2
474.41568	1.2
489.19595	2.1
489.34464	43.5
490.34869	5.3
504.52420	1.4
651.30774	7.0
651.39819	100.0
652.31049	2.4
652.40149	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	651.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82379	0.7
55.01881	3.2
57.03453	3.0
58.00599	1.6
59.01384	26.8
59.12506	0.7
61.98830	3.1
69.03479	1.2
71.01389	38.9
72.99300	1.7
73.02950	9.0
75.00874	1.1
79.05547	0.6
83.01389	5.3
83.04993	0.7
85.02963	18.7
87.00877	2.1
89.02460	10.5
93.03477	0.9
95.01396	3.5
95.29086	0.6
97.02958	1.6
98.21798	1.4
99.00886	3.8
101.02453	23.8
103.28810	0.7
108.02219	3.2
109.02973	1.3
110.35136	0.6
111.00883	2.7
113.02459	13.7
116.92912	1.0
117.03492	1.5
119.03516	4.4
119.04951	0.7
121.02908	0.8
123.00852	0.8
123.04540	2.7
125.02479	1.7
125.83578	0.6
135.04512	1.0
137.02492	0.9
143.03508	1.2
145.02953	4.5
151.04022	1.6
152.01180	2.2
159.03015	1.9
161.02432	2.2
161.04562	6.7
169.01448	1.1
179.05635	1.4
193.08720	2.0
207.10257	1.7
209.08125	0.7
209.11867	2.2
223.09586	0.8
266.91583	0.7
271.09799	0.7
298.37299	0.7
307.08310	1.5
383.30157	0.8
412.34213	0.7
415.21365	0.8
429.30081	3.5
430.30652	0.8
459.18329	0.9
471.18106	1.5
471.33859	1.9
473.32422	0.8
489.19113	0.9
489.34378	26.3
490.34796	2.6
565.94189	0.7
651.30658	6.0
651.39880	100.0
652.30627	1.5
652.40167	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	651.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17975	1.2
55.01878	4.5
57.03463	2.7
58.00603	2.2
59.01384	27.1
61.98835	4.3
71.01389	42.8
72.01718	1.6
72.99299	2.5
73.02959	13.9
73.21495	1.0
75.00901	1.3
78.60430	1.2
78.95901	1.1
83.01386	8.0
85.02959	22.2
85.03420	1.5
87.00887	2.7
88.98821	4.5
89.02451	15.2
95.01411	4.5
97.02975	2.1
99.00903	5.0
100.85071	1.0
101.02449	32.9
108.02237	2.9
108.59962	1.3
109.02994	1.6
111.00906	4.0
111.04553	1.6
113.02466	14.0
119.03541	3.9
121.02949	1.7
123.04588	1.7
125.02448	2.8
133.02982	2.1
135.04561	1.5
137.02467	1.6
141.01953	1.5
143.03636	1.3
157.40858	1.1
159.03017	2.8
161.02496	5.2
161.04579	7.6
179.05640	1.3
179.10736	1.2
205.08635	1.6
209.08267	1.8
209.11897	6.9
223.09776	3.4
306.07730	1.5
327.29031	2.8
360.11780	1.2
397.20694	1.3
415.21494	1.9
445.33060	1.8
471.18314	4.4
471.32913	2.2
474.41568	1.2
489.19595	2.1
489.34464	43.5
490.34869	5.3
504.52420	1.4
651.30774	7.0
651.39819	100.0
652.31049	2.4
652.40149	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	651.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.5
57.03438	2.6
58.00609	1.9
59.01381	26.4
61.98835	4.8
66.72863	1.0
68.69485	0.9
71.01385	42.4
72.99316	1.9
73.02953	10.5
75.00844	1.2
76.85197	1.1
82.06656	1.2
83.01395	5.8
83.05024	1.2
85.02956	18.8
87.00871	2.0
88.98817	3.6
89.02444	14.0
90.54077	1.0
90.85375	1.1
95.01416	4.6
97.02974	1.3
99.00912	4.4
101.02448	29.2
101.56804	1.0
108.02195	4.2
111.00897	3.2
111.04558	1.5
111.08274	1.0
113.02460	15.0
119.03493	5.6
119.05007	1.0
121.02967	1.5
123.04527	2.2
125.02451	1.9
129.01947	1.6
131.03519	1.1
133.02992	3.2
135.04585	1.6
149.02415	1.2
159.02979	1.8
161.02444	8.5
161.04507	5.0
169.01479	1.7
179.05643	3.3
205.05029	1.3
209.08293	3.0
209.11838	6.1
223.09837	3.1
225.07764	1.3
318.44046	1.0
327.29205	2.6
380.08044	1.2
391.64355	1.1
444.80283	1.1
446.30096	1.2
462.12479	1.1
471.18149	5.1
471.33249	2.2
489.19684	3.0
489.34439	38.1
490.34897	4.1
633.28699	1.3
651.31104	6.8
651.39844	100.0
652.40363	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	652.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89203	1.1
54.50800	1.0
59.01386	29.0
61.98824	3.7
65.02567	1.2
71.01387	25.0
71.28611	1.6
72.99306	2.7
73.02956	8.5
75.00862	1.7
79.05763	1.1
82.95432	9.9
83.01396	2.4
85.02966	6.8
86.00106	1.2
87.00874	7.2
89.02451	20.1
95.01437	1.8
96.96055	2.3
99.00909	2.9
101.02460	18.4
108.02168	2.3
109.02971	4.5
111.00898	4.8
113.02448	8.7
116.13120	1.2
116.92821	1.6
119.03529	7.2
123.00903	3.2
123.04514	2.3
123.08238	1.1
124.01668	2.8
125.02498	6.2
131.03531	3.3
135.04561	1.3
136.01689	3.8
137.02473	12.8
143.03442	1.6
149.06075	2.9
151.00403	1.8
151.04010	8.6
152.01144	2.5
153.01939	1.9
161.04591	6.7
161.05785	1.2
164.04822	2.7
165.05554	4.2
166.02689	3.1
169.01469	4.7
175.07674	1.6
177.09242	3.7
179.05653	1.6
181.05025	3.6
187.07565	1.7
204.05025	1.1
207.99364	1.1
221.04793	1.3
221.06578	7.4
295.09671	1.9
296.10568	4.3
311.12906	9.9
329.13953	46.4
417.15741	2.2
447.31213	84.2
448.31540	13.1
490.32669	2.0
491.19366	11.2
500.18118	1.3
569.22748	1.4
630.37592	1.2
652.20251	3.4
652.35736	5.0
653.24622	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	652.3863
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41627	0.6
56.95152	0.5
61.98837	100.0
71.47724	0.6
78.95918	1.0
80.21999	0.5
98.21822	1.5
111.30067	0.5
133.03001	0.8
152.99625	0.6
161.02541	2.5
219.84979	0.5
240.17081	0.5
255.23320	0.8
313.49808	0.5
404.32880	0.7
414.83530	0.5
533.14697	0.6
589.38965	6.6
590.39642	1.2
617.38446	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	653.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	8.5
61.98835	7.8
69.61152	2.6
69.61549	2.1
71.01385	10.2
72.99305	2.0
73.02942	1.8
81.03455	2.0
82.69165	1.1
85.02948	5.3
87.00888	1.1
88.98831	1.2
89.02448	4.2
93.03477	5.7
95.01403	4.7
96.96014	1.0
97.02977	1.3
98.21908	1.4
99.00896	1.1
101.02452	4.9
107.01371	1.1
107.05032	1.1
108.02180	99.1
109.02973	38.7
110.03268	1.1
111.00869	1.7
113.02435	3.4
116.92903	2.2
119.03477	1.4
121.02946	5.4
123.00892	4.8
123.04529	4.6
124.01640	1.1
125.02444	4.7
133.02925	2.4
134.03777	1.2
135.00896	1.6
135.04536	4.6
136.01689	1.5
137.02472	6.6
137.09651	1.0
139.04074	1.1
141.01450	0.9
145.02995	4.5
149.06097	1.3
151.00464	1.2
151.03912	2.5
152.01164	92.2
153.01962	25.6
153.05606	2.2
160.01585	1.4
161.02477	2.4
161.04597	1.2
163.04013	2.2
165.01923	1.9
167.03496	2.5
169.01407	2.2
171.10245	2.5
177.01942	1.3
179.03555	1.2
179.07161	1.1
193.05063	1.2
199.13309	2.3
207.10266	1.4
209.11807	3.4
235.07964	1.1
251.07236	2.4
261.05588	1.6
262.06442	1.6
263.07010	1.7
279.06693	4.0
280.07346	3.0
281.08170	4.8
282.08878	2.4
288.21338	1.0
291.06656	2.1
292.03961	1.4
293.04636	1.5
293.08426	1.4
295.09555	1.4
296.10413	3.7
297.11377	4.6
307.06183	7.0
308.06943	4.2
311.13046	2.2
315.07239	14.3
322.08429	4.6
323.09280	12.1
324.09515	1.6
337.10849	10.9
341.10175	1.6
355.12000	3.3
355.24899	3.4
357.26379	1.3
369.22800	1.4
371.24521	2.7
446.33746	1.5
447.30466	1.2
485.14270	2.3
490.32718	4.3
491.20966	3.5
491.32953	1.7
497.20221	2.5
499.15979	1.4
554.06763	1.1
607.34399	1.0
609.19849	1.6
617.18347	2.0
623.23340	1.1
635.30554	2.8
653.18671	100.0
653.31451	37.9
654.19000	19.5
654.31427	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97013	0.4
56.67111	0.4
57.03454	0.5
59.01382	1.8
61.98810	0.7
65.00331	0.5
67.01883	1.1
69.03456	0.4
69.35677	2.8
69.51089	0.4
71.01375	1.7
73.02962	0.5
79.01884	0.6
81.03442	0.5
83.01386	0.7
83.22202	0.4
85.02946	1.2
87.00893	0.5
89.02428	0.5
95.01379	1.4
97.02955	0.9
98.21763	0.7
101.02458	1.4
107.01398	7.7
111.00900	3.7
113.02505	0.7
123.00889	7.5
123.04528	0.7
124.01690	1.1
125.02456	32.3
126.02797	0.7
135.04553	0.6
136.98874	1.2
138.22287	0.5
139.00392	4.3
140.01173	3.3
141.02003	0.9
151.00389	6.3
153.01936	0.7
166.99863	0.9
168.00645	5.1
169.01439	38.0
170.01747	1.0
179.03505	0.6
181.01410	0.5
181.05042	0.7
209.11829	0.6
211.02541	2.4
237.04211	0.7
271.04675	1.8
288.13663	0.5
310.57367	0.5
313.05646	2.7
483.18887	1.3
485.87936	0.6
501.19791	30.9
502.20422	3.2
609.30560	0.5
653.20905	100.0
654.21295	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	653.2456
Annotation	PdOEPK
Peak:m/z	Relative Intensity
53.37944	0.6
55.01881	1.0
57.03446	1.2
58.90401	0.6
59.01384	11.0
61.21712	0.6
61.98829	0.6
69.10390	4.2
71.01385	10.8
72.99299	0.7
73.02939	2.5
75.00847	0.5
83.01402	1.6
85.02953	4.2
87.00873	1.9
89.02455	3.7
90.49325	0.6
93.03458	0.9
95.18958	0.5
95.77869	0.7
99.00889	1.3
101.02457	5.5
109.02964	1.6
111.00874	0.8
113.02473	3.6
119.03487	1.0
121.02962	8.1
122.03686	0.7
125.02459	1.3
131.03488	0.6
133.03015	0.7
134.03763	2.3
135.04562	3.9
137.02422	1.2
147.04500	1.4
149.06068	2.0
161.02470	1.2
161.04622	1.4
161.06075	1.6
185.86613	0.6
193.08749	1.4
268.07681	0.8
269.08075	2.2
270.08853	1.2
279.10474	0.6
283.09821	3.2
284.10437	0.9
285.59613	0.6
295.09521	0.9
296.10538	1.7
297.11365	2.8
301.03195	0.8
311.12921	1.8
313.10849	1.6
314.11609	4.9
315.12393	2.6
329.10489	0.8
329.13974	16.7
330.14456	1.5
343.11652	0.8
459.16422	0.7
473.18076	1.9
476.16934	1.4
491.12131	1.3
491.19205	20.8
491.26108	1.3
492.19705	2.0
507.22424	0.7
653.24536	100.0
654.24817	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	653.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.7
55.29663	0.8
57.03439	1.5
59.01098	1.2
59.01382	18.9
61.09784	0.7
61.98842	3.9
69.03445	1.1
70.92986	1.5
71.01383	18.8
72.99293	1.7
73.02945	6.6
81.03458	1.3
83.01405	4.0
85.02959	8.5
87.00877	3.4
89.02460	5.6
93.03419	0.9
95.01422	1.5
97.02996	1.3
99.00895	2.4
101.02452	10.7
108.02180	2.2
109.02955	2.3
111.00864	1.0
113.02428	5.8
119.03490	1.8
121.02989	1.1
123.00926	1.6
124.01669	1.4
125.02451	2.7
133.02942	1.5
135.04503	1.2
137.02461	1.8
137.06099	1.0
141.01938	0.8
149.06052	1.0
152.01129	1.3
153.01828	1.2
161.02400	2.9
161.04538	2.6
169.01456	1.2
171.10249	0.7
179.05560	0.9
193.08720	0.9
197.51074	0.8
201.23917	0.8
209.08105	1.0
209.11787	1.2
212.04807	1.1
213.05667	2.0
227.07123	1.7
240.07883	1.2
244.85197	0.8
255.10258	2.8
268.68430	1.0
283.13327	1.0
297.14954	1.4
299.09668	1.1
299.12869	7.8
300.13635	5.5
301.14392	2.1
313.14529	0.9
314.15274	15.2
315.15973	15.5
329.17554	12.0
339.15921	0.8
369.22787	1.6
371.24484	1.4
391.76260	0.8
459.13577	0.9
472.80264	0.8
473.21771	1.6
476.20438	2.0
477.21411	1.5
491.23029	20.3
492.23236	2.2
653.28217	100.0
654.28558	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	653.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.7
55.29663	0.8
57.03439	1.5
59.01098	1.2
59.01382	18.9
61.09784	0.7
61.98842	3.9
69.03445	1.1
70.92986	1.5
71.01383	18.8
72.99293	1.7
73.02945	6.6
81.03458	1.3
83.01405	4.0
85.02959	8.5
87.00877	3.4
89.02460	5.6
93.03419	0.9
95.01422	1.5
97.02996	1.3
99.00895	2.4
101.02452	10.7
108.02180	2.2
109.02955	2.3
111.00864	1.0
113.02428	5.8
119.03490	1.8
121.02989	1.1
123.00926	1.6
124.01669	1.4
125.02451	2.7
133.02942	1.5
135.04503	1.2
137.02461	1.8
137.06099	1.0
141.01938	0.8
149.06052	1.0
152.01129	1.3
153.01828	1.2
161.02400	2.9
161.04538	2.6
169.01456	1.2
171.10249	0.7
179.05560	0.9
193.08720	0.9
197.51074	0.8
201.23917	0.8
209.08105	1.0
209.11787	1.2
212.04807	1.1
213.05667	2.0
227.07123	1.7
240.07883	1.2
244.85197	0.8
255.10258	2.8
268.68430	1.0
283.13327	1.0
297.14954	1.4
299.09668	1.1
299.12869	7.8
300.13635	5.5
301.14392	2.1
313.14529	0.9
314.15274	15.2
315.15973	15.5
329.17554	12.0
339.15921	0.8
369.22787	1.6
371.24484	1.4
391.76260	0.8
459.13577	0.9
472.80264	0.8
473.21771	1.6
476.20438	2.0
477.21411	1.5
491.23029	20.3
492.23236	2.2
653.28217	100.0
654.28558	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	653.2982
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72742	0.7
64.50214	0.8
86.33091	0.9
89.05193	0.8
89.42852	0.9
104.19888	0.9
104.58120	0.9
107.05029	0.9
109.02997	1.9
109.06577	0.9
111.04513	6.4
112.48498	0.9
123.04552	1.6
125.02516	1.0
137.02472	10.8
137.03438	1.6
139.03935	1.3
151.04002	9.2
151.07661	10.5
160.52618	1.2
163.00369	2.4
165.09184	5.9
177.02010	2.3
179.07129	1.5
181.08727	2.2
189.05516	4.9
193.08633	1.2
195.06635	35.9
196.06979	1.6
203.07182	5.7
207.06631	100.0
208.06978	5.0
209.06177	1.2
209.08197	23.8
221.08195	89.8
222.08507	4.7
249.11290	3.4
253.31750	0.9
261.11362	3.7
268.44907	0.9
417.15576	77.3
418.15869	7.7
431.20685	7.6
471.20560	4.2
653.29633	16.2
654.29980	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	653.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	10.2
62.32030	8.3
90.15324	8.1
98.21831	24.6
115.07387	8.5
127.70925	10.5
151.07657	13.7
195.06654	32.3
207.06651	100.0
209.08224	29.1
221.08238	94.4
239.51828	8.0
241.74931	8.4
251.95750	8.5
296.88837	8.9
311.16794	15.7
417.15485	66.2
617.38123	18.5
653.29944	17.4
660.38507	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	653.2982
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47718	0.8
81.03443	1.3
83.01370	1.1
89.93994	0.7
93.38054	0.8
98.22615	1.8
105.41795	0.7
109.02952	1.8
109.06612	1.5
111.04519	7.3
116.02465	0.9
123.04527	2.9
123.28619	0.8
125.02431	0.8
137.02446	12.1
139.04031	2.0
142.04344	0.8
151.04028	10.0
151.07675	11.7
163.00363	3.0
163.07657	1.1
165.09215	6.4
177.01880	1.1
177.09122	0.9
177.40625	0.9
179.07127	1.9
181.08698	2.4
189.05606	5.9
193.08649	1.8
195.06631	38.8
196.06989	2.0
200.98952	0.7
203.07195	6.0
205.12321	1.1
207.06638	100.0
208.06972	5.6
209.08197	23.1
209.77026	0.7
210.08530	1.5
221.08206	95.1
222.08533	6.9
249.11313	4.3
261.11395	4.8
269.19858	0.7
348.82321	0.8
417.15570	70.5
418.15799	8.5
431.20752	6.9
471.20151	3.9
499.04605	0.9
653.29681	13.3
654.29938	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.1
63.63092	0.9
64.48846	0.8
67.65774	0.7
71.28393	1.4
73.14108	0.8
78.95910	87.5
83.28600	0.8
85.02958	1.5
85.06578	0.9
87.04529	1.6
109.02936	1.5
111.04524	6.1
113.09748	4.1
125.02419	1.2
125.06086	1.9
135.08116	1.0
137.02519	1.2
149.00116	3.9
152.99629	1.3
165.05600	1.5
165.09213	1.5
169.37752	0.8
178.02785	1.0
181.05139	1.0
181.08720	33.9
182.09071	2.5
183.06619	6.6
183.54080	0.9
191.10835	1.2
193.04971	1.6
195.06624	2.7
197.04576	1.2
197.08237	4.1
205.05006	1.2
205.15955	1.7
207.06540	2.2
207.10202	0.8
209.08199	7.5
211.06102	1.2
219.10260	0.9
221.08205	3.1
223.06226	1.2
223.09776	1.1
225.07774	2.3
235.09773	17.4
239.05544	2.7
245.08080	1.1
247.06105	1.0
248.06914	21.5
249.07349	1.8
255.23396	2.0
261.07709	1.1
261.11160	1.0
262.08533	2.1
263.09259	100.0
264.09619	5.0
285.12537	3.6
299.09177	1.0
305.10388	6.3
338.33240	0.8
355.16589	1.3
359.15158	1.1
399.14563	3.5
411.14499	4.7
413.16187	6.4
416.21750	1.1
417.15356	17.9
418.15845	2.1
427.18863	1.0
447.13351	4.7
453.15643	1.0
471.20282	3.4
653.30280	54.0
654.31091	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	653.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58404	0.2
61.98840	0.5
62.96410	0.8
69.48718	0.2
72.53314	0.2
75.99314	0.2
78.95911	100.0
92.11420	0.2
96.96986	0.2
116.92912	0.3
133.02957	0.3
134.03809	0.2
142.68872	0.2
145.35370	0.2
149.00102	4.6
150.00525	0.3
161.02440	0.7
165.34103	0.2
179.01250	0.5
205.15964	2.5
285.12631	4.1
286.12628	0.3
355.16852	2.2
385.17889	1.0
417.12592	0.2
447.13589	5.1
448.13931	0.7
617.38690	3.3
618.39026	0.7
653.30176	45.5
654.30518	8.9
666.98718	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26947	0.7
62.96398	1.1
64.01848	0.6
69.09101	4.4
69.09509	1.3
76.62717	0.7
78.95911	100.0
98.21795	1.4
99.92612	3.0
122.35959	0.6
133.02975	1.5
135.04565	1.6
135.49591	0.7
149.00108	4.0
161.02466	6.8
199.85181	2.4
200.85738	0.9
205.16032	2.4
240.36360	0.7
255.23396	0.9
285.12726	3.7
355.16833	3.1
385.18018	0.9
447.13318	5.3
617.38477	28.1
617.48566	1.4
618.39111	4.9
653.19720	2.7
653.30109	55.7
654.30267	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	653.3619
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50636	0.8
56.84974	0.9
62.31825	0.9
62.96410	0.9
69.67610	2.6
69.68011	1.2
78.95911	100.0
93.62267	0.9
99.92584	3.2
120.42648	0.9
126.11752	0.9
133.02982	5.0
134.03729	2.1
135.04535	3.7
137.02452	1.5
149.00137	4.7
152.99588	1.9
161.02472	16.5
167.67877	1.0
199.85185	4.7
200.85873	2.1
205.16008	1.8
255.23241	3.2
285.12668	4.2
289.18704	0.9
292.48834	0.8
355.16885	2.5
391.22952	1.1
397.83676	0.9
424.29691	0.8
447.13339	5.0
453.72461	0.9
573.39520	2.5
617.38531	64.5
618.38721	13.6
653.19458	2.3
653.30072	42.1
654.20166	1.6
654.30566	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	653.3617
Annotation	Unknow
Peak:m/z	Relative Intensity
71.09369	1.1
71.27087	1.2
76.99521	1.2
78.95907	100.0
84.50381	1.3
99.70423	1.1
133.02979	8.0
135.04553	3.4
148.29698	1.4
149.00111	5.9
161.02455	23.7
215.69882	1.1
243.96080	1.2
285.12643	4.2
355.16644	2.3
404.61450	1.4
447.13431	6.0
459.01978	1.3
598.11163	1.4
617.38446	99.3
618.38861	25.8
653.30206	43.4
654.30762	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	653.3619
Annotation	Unknow
Peak:m/z	Relative Intensity
69.19314	2.9
76.41166	0.4
78.96552	1.2
83.53609	0.4
101.47841	0.4
133.02661	7.6
133.03761	1.5
134.03427	2.0
135.04214	2.2
137.02208	1.1
148.99767	1.6
161.02119	19.9
161.03606	2.3
162.02467	1.1
179.03297	0.9
195.65100	0.4
205.15686	0.7
211.07031	0.4
284.56006	0.5
285.12250	1.4
355.16791	0.8
447.13440	1.9
455.80304	0.4
543.59192	0.5
573.39630	0.6
580.73145	0.5
617.38495	100.0
618.38794	20.5
618.48999	0.8
619.69434	0.4
653.30194	24.9
654.30194	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	653.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33508	0.7
51.74238	0.7
54.29638	0.7
69.12202	4.5
69.12608	1.2
78.95908	2.9
111.57847	0.7
116.92886	2.5
131.59151	0.8
133.02968	9.6
134.03778	6.3
135.04552	9.9
137.02464	3.5
145.03003	0.8
161.02464	22.5
161.03781	1.6
162.02791	1.2
165.08057	0.8
168.38435	0.7
174.10078	0.9
179.03494	3.6
382.20056	1.0
470.75989	0.8
573.39368	2.1
617.38501	100.0
618.38928	21.9
653.28558	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.362
Annotation	Unknow
Peak:m/z	Relative Intensity
69.65966	0.9
70.61745	1.9
73.46998	0.9
77.43628	0.8
78.71997	0.8
78.95914	25.0
88.40146	0.8
91.98486	0.9
115.36843	1.0
133.02974	12.3
134.03789	4.5
135.04535	4.9
137.02470	2.8
161.02463	40.2
162.02737	1.4
179.03535	1.4
200.60831	1.0
200.76265	0.9
315.73550	0.9
334.11850	1.0
573.39508	23.4
574.39929	5.1
581.76312	1.0
615.36835	1.3
617.38507	100.0
618.38818	23.9
653.30127	9.4
654.30524	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3617
Annotation	Unknow
Peak:m/z	Relative Intensity
70.83996	1.4
78.95911	21.3
94.39554	0.7
102.70367	0.8
133.02975	6.5
134.03743	2.5
135.04559	2.3
137.02414	1.0
158.62183	0.8
161.02463	16.9
188.19695	0.8
285.12836	1.2
398.83102	0.9
413.98602	0.9
447.13568	0.9
472.21936	0.8
540.10431	0.9
606.79535	1.0
617.38495	100.0
618.38727	20.4
653.30103	8.6
654.30408	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	653.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03352	0.8
57.38645	0.7
61.98758	0.9
64.55929	0.7
71.99241	0.7
90.02151	0.8
93.03320	9.5
108.02090	1.0
109.02835	1.3
121.02792	13.2
122.03559	6.3
123.04357	12.2
123.05302	1.0
124.01563	1.5
124.04737	0.8
132.02094	0.8
133.02798	3.4
134.03604	1.8
135.04343	9.9
135.87494	0.6
137.02472	3.3
139.03835	17.5
148.01678	6.8
149.02451	81.8
149.04091	2.6
149.06047	3.3
150.02620	2.8
151.03862	1.4
153.05461	1.2
154.02641	1.4
159.52527	0.7
161.02299	1.0
165.01859	1.1
167.03296	3.8
179.03247	0.8
271.09628	0.7
287.89734	0.8
291.42279	0.7
324.09207	0.7
325.10818	0.8
325.14172	1.4
394.32443	0.7
411.32571	1.4
425.27051	0.9
429.33704	0.9
435.16693	0.7
441.29749	1.2
455.21207	0.7
455.31631	8.9
456.32062	1.1
473.32669	10.1
474.33261	1.1
499.30695	2.1
535.38336	0.9
579.36865	4.8
623.35907	91.3
624.36279	19.8
635.22321	0.8
635.36365	4.7
636.36652	1.4
653.36993	100.0
654.37305	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	653.3698
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.1
59.01371	1.1
59.75466	0.6
60.76417	0.6
61.98811	1.1
69.03435	0.8
69.06394	3.4
69.06817	2.4
71.67691	0.8
73.02928	1.6
88.38260	0.8
93.03469	9.1
95.05070	1.0
106.66679	0.6
107.05018	0.9
108.02194	2.0
109.02978	0.6
110.06597	0.6
117.03503	1.6
119.05022	3.4
121.02073	0.9
121.02957	18.7
121.03780	1.3
122.03802	5.0
123.04546	10.9
124.01673	2.0
131.54431	0.7
133.02951	2.4
134.03786	0.8
135.04533	8.7
137.02431	3.4
139.04022	14.0
145.02956	5.7
148.01671	3.9
149.02452	66.3
150.02831	1.9
151.04028	1.3
154.02718	1.6
160.05185	0.8
163.04051	1.3
165.01982	1.5
167.03499	3.0
170.46233	0.7
175.48071	0.7
179.03519	1.3
197.04640	0.8
202.06464	0.9
202.46979	0.8
209.11781	0.6
218.02209	0.7
271.09827	1.0
293.08035	1.0
295.06067	1.1
309.07877	1.2
310.08551	2.5
325.10806	17.0
326.11151	1.5
327.12411	1.3
336.22330	0.6
411.32574	0.9
412.26505	0.7
432.32703	0.8
441.30289	0.8
455.31763	7.6
456.31949	0.9
471.31488	1.1
473.32709	7.1
474.33130	1.4
499.30609	1.6
500.31561	0.8
502.91797	0.8
529.18610	2.0
579.37103	3.2
591.37518	1.3
623.35913	79.1
624.36200	14.7
624.45624	1.1
635.35681	4.2
653.36963	100.0
654.37292	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26453	0.6
55.01884	1.6
57.03442	1.0
58.00599	1.4
59.01385	43.1
61.98836	1.7
68.97910	6.0
68.99810	0.9
69.03460	2.4
71.01388	36.3
72.99314	3.4
73.02953	6.3
75.00862	1.2
75.86781	0.6
81.03462	1.8
83.01389	5.6
85.02956	8.2
87.00880	9.3
89.02453	33.3
91.04013	0.9
95.01411	3.0
95.05006	0.8
97.02964	5.9
98.22616	1.3
99.00882	2.6
101.02454	30.5
103.04014	0.7
109.02962	1.8
111.00842	0.8
111.04544	1.5
113.02464	14.2
116.92843	0.8
117.03454	3.7
119.03516	10.0
119.04902	0.8
121.02968	1.0
123.00920	0.9
123.04524	1.3
123.98773	0.6
125.02450	13.7
128.17032	0.6
131.03540	2.1
133.02956	2.5
133.05049	1.5
134.03784	0.9
135.04539	1.8
137.02429	1.8
139.04012	1.2
141.01915	1.1
143.03519	5.5
145.02979	15.2
149.04581	1.3
153.01935	1.0
160.01688	0.6
161.02466	4.9
161.04530	6.4
163.04001	0.7
165.14209	0.6
167.03539	1.2
179.05656	6.4
217.07062	0.8
221.06703	2.3
235.08260	14.0
236.08469	0.8
245.06570	0.7
253.09343	3.4
255.23312	100.0
256.23676	8.8
263.07697	1.1
269.24921	1.0
277.09140	1.2
287.07779	3.3
305.08823	3.6
323.09775	1.4
325.79193	0.7
335.15424	0.8
379.12634	1.4
397.13522	79.5
398.13855	5.9
414.08310	0.7
415.14584	30.7
416.14908	2.3
424.24048	0.8
588.19189	0.7
617.38538	37.6
618.38757	8.0
635.37646	1.3
653.39459	5.0
654.39215	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41278	0.5
51.32714	0.5
53.67727	0.4
55.01871	1.5
57.03440	1.6
58.00581	1.6
59.01384	47.6
62.92035	0.5
69.03465	2.6
71.01386	37.4
72.01722	0.5
72.99322	3.1
73.02957	7.3
75.00842	0.8
81.03449	2.0
83.01379	4.1
85.02959	8.2
87.00887	9.5
89.02450	37.1
91.04023	0.6
95.01395	2.8
95.05001	0.8
97.02954	6.3
99.00895	2.5
101.02448	29.0
109.02948	1.2
109.15936	0.5
111.04546	1.6
113.02464	14.4
114.02745	0.6
115.03987	1.4
119.03507	11.6
121.02966	0.6
124.01643	0.7
125.02451	13.7
129.01933	1.0
131.03503	1.5
133.05124	0.8
135.04524	1.7
137.02451	3.2
138.02753	1.3
139.03973	1.4
141.01958	0.6
143.03525	6.8
149.04608	1.0
155.60251	0.5
161.02411	1.3
161.04562	7.4
167.03430	1.0
169.04967	0.8
173.99113	0.5
175.06009	0.5
179.05632	5.7
185.04619	0.6
199.06038	0.8
217.07257	1.1
221.06696	1.9
235.08237	13.6
236.08516	0.7
245.06502	0.7
253.09389	3.8
255.23308	100.0
256.23645	7.7
263.07779	1.7
269.24799	0.7
277.09320	1.3
279.12592	0.7
287.07687	3.9
305.08887	3.9
323.09827	1.9
379.12399	1.2
397.13525	79.2
398.13962	5.8
415.14587	31.0
415.20276	1.2
416.14905	2.2
635.38385	2.5
644.57172	0.6
653.27679	2.5
653.37878	0.7
654.40002	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3912
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	16.7
61.98827	1.0
67.16220	0.3
68.99186	0.8
68.99601	2.0
71.01376	1.3
73.02934	0.4
82.08559	0.3
85.02960	0.5
89.02448	1.3
93.03443	0.4
96.95990	0.4
101.02448	1.4
108.02190	0.6
109.02996	0.6
113.02441	1.5
117.03484	0.4
119.03528	1.2
121.02979	0.6
123.04541	1.4
125.02453	0.6
131.51901	0.4
135.04543	0.6
151.04048	0.3
169.76100	0.3
193.08705	1.4
255.06615	0.4
256.07410	0.5
289.07336	0.4
313.11615	0.4
315.08810	1.0
371.24374	1.5
383.29562	0.6
385.31198	2.1
387.32584	0.7
411.28525	0.4
419.24768	0.4
431.31674	100.0
432.32007	13.3
445.33182	0.7
459.13086	1.1
491.20450	1.1
585.60126	0.3
593.37042	1.2
653.21313	2.7
653.38977	1.0
654.22723	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18549	1.3
59.01377	3.1
61.98827	3.5
69.51133	1.3
71.01369	4.2
73.02939	1.5
75.60202	1.5
91.01888	2.0
95.01411	2.5
97.02959	1.6
107.01341	1.5
108.02181	6.0
108.16251	1.6
109.02924	2.5
116.92921	1.6
123.00893	3.1
123.04501	8.6
124.01655	2.2
125.02460	6.7
125.03382	1.6
127.92691	1.4
137.02457	4.8
139.04037	1.9
150.03247	1.7
151.00424	2.9
152.01248	7.4
153.01953	1.7
154.76630	1.4
165.01889	2.4
167.03526	12.6
169.01434	2.4
173.60147	1.4
181.05022	2.0
191.03560	4.9
200.30783	1.4
201.05611	1.9
243.06633	13.7
254.99338	2.1
257.00900	3.5
257.73248	1.4
269.00992	2.6
269.98071	24.4
270.00977	1.3
270.98788	3.6
271.02505	2.1
276.38712	1.7
283.99670	1.9
285.00488	17.6
297.00409	3.4
297.97583	46.0
298.00937	2.2
298.98120	7.5
299.01923	5.2
299.98935	1.6
311.07791	4.7
312.99927	82.9
314.00488	8.8
315.01593	2.5
327.01392	7.3
328.02249	40.0
329.02881	8.0
341.08951	1.5
343.04599	32.8
344.05002	2.3
467.13361	1.9
640.10724	5.8
655.13037	100.0
656.13501	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00320	0.8
69.23656	4.2
81.03475	2.7
83.01369	0.9
85.06605	1.2
87.04507	0.6
95.05030	0.6
104.54891	0.5
109.02960	1.3
109.06586	2.6
111.04517	9.0
113.09734	2.0
118.86784	0.5
121.79016	0.6
125.02428	3.9
125.06099	0.9
127.07659	0.5
133.06584	1.8
135.04543	1.2
135.08134	0.6
136.05315	0.7
149.06110	0.8
151.00447	0.7
151.06424	1.1
151.07657	22.8
152.07994	0.9
153.05569	0.8
165.09248	1.4
177.05574	3.1
179.07130	2.7
181.05069	0.6
181.08705	11.0
193.08626	0.8
195.06628	100.0
196.06943	3.4
205.05006	4.5
206.02463	0.6
207.06667	1.1
209.04669	1.0
209.08183	6.9
219.06589	1.4
221.04561	18.7
221.08157	1.8
222.04964	0.8
223.06119	12.4
223.09622	1.1
224.06503	0.7
225.07701	1.2
233.04604	2.0
233.08325	1.3
234.05334	1.4
235.06029	0.8
239.05594	4.5
247.06212	1.6
248.06688	0.7
249.11308	7.6
261.07681	2.5
263.09238	1.4
263.12769	0.8
275.09232	2.4
287.05432	0.7
287.09103	0.9
289.07104	1.5
293.10272	0.9
313.14386	0.7
316.05807	0.7
329.13947	0.8
330.07510	1.6
357.13431	2.4
373.12909	3.8
375.14493	1.8
383.11484	0.8
401.07150	1.2
401.12390	22.8
402.12665	1.3
411.17984	1.0
419.13312	12.1
420.13770	1.2
431.20746	37.1
432.21277	3.5
445.22134	1.4
455.17227	4.1
473.18250	1.5
637.26196	1.2
655.27747	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.3
59.01385	80.0
60.01710	1.1
61.98825	3.9
68.00837	0.7
69.06786	4.4
71.01384	11.4
73.02956	6.3
78.09383	0.7
82.27420	0.7
83.01370	1.7
83.22616	0.8
85.02969	3.4
89.02457	3.3
93.03465	0.9
95.01400	1.1
97.02969	0.8
99.00893	0.9
99.04533	2.3
101.02462	6.0
104.02284	0.7
107.01379	0.8
108.02232	1.2
109.02953	0.8
113.02457	4.9
113.10030	0.7
119.03534	0.9
123.04533	1.3
123.78857	0.7
124.01631	0.9
125.02443	1.7
125.06027	0.7
134.03802	1.0
135.04535	3.7
136.05313	1.2
137.02496	3.5
138.06886	3.1
139.04022	0.9
139.07671	1.2
151.00371	4.4
151.07648	2.9
152.08456	4.3
153.09233	13.7
161.02464	1.1
161.04587	2.0
163.11308	1.6
165.12848	1.5
169.01477	1.1
189.12918	1.2
205.05081	1.3
205.12352	9.1
207.13954	0.9
209.11804	6.1
223.13403	1.6
225.15030	5.7
227.12907	28.2
228.13263	1.3
251.12947	0.9
267.06796	0.9
269.14032	2.1
283.05112	1.2
287.15149	1.5
359.28021	1.3
367.17633	3.4
427.20209	0.8
459.13052	1.2
493.18726	1.7
611.21344	1.2
637.32233	6.6
655.33411	100.0
656.33716	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	3.7
61.98817	2.4
69.03454	0.7
71.01397	3.0
71.05016	0.7
73.02953	0.8
73.32265	0.6
78.04196	0.5
80.02689	0.8
80.67537	0.7
81.03456	2.4
83.01397	0.9
83.05025	3.6
85.02946	2.3
89.02446	1.4
91.55675	0.6
93.03461	3.7
93.52499	0.5
95.01407	2.3
95.05017	0.7
99.00842	0.6
101.02464	2.6
108.02185	68.1
109.02972	41.0
109.06599	1.1
110.03306	1.2
113.02456	1.6
121.02969	0.8
123.00887	1.9
123.04522	1.4
125.02479	1.1
135.00880	0.8
135.04501	1.2
137.02443	5.3
151.04034	0.8
152.01167	63.2
153.01961	21.0
161.04555	1.0
163.04008	1.0
163.11270	2.6
165.12816	0.8
169.01465	0.9
171.10280	1.3
175.04019	0.6
185.11929	1.2
207.10237	1.4
209.11841	65.2
210.12213	3.4
211.13451	3.0
225.11313	0.9
227.12849	2.7
235.08125	1.3
245.58908	0.6
247.13477	1.2
253.09335	3.7
285.20755	8.7
286.21555	0.9
357.26453	14.5
358.26764	1.3
373.25400	0.6
380.06363	0.6
399.61823	0.6
401.23517	2.1
416.68506	0.6
515.30573	0.7
637.32336	4.4
655.33386	100.0
656.33777	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	655.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23304	0.7
57.03432	1.5
58.28041	0.9
58.91542	0.8
59.01102	1.2
59.01384	24.5
69.20590	5.7
69.34786	0.7
76.37533	0.8
79.01898	0.9
85.06577	0.9
87.04520	1.6
94.45732	0.8
95.05013	0.9
95.18461	0.9
109.02948	3.0
109.06574	2.8
111.04528	11.6
113.09734	7.1
121.02966	1.0
123.08170	1.8
125.02460	1.9
135.08223	1.0
137.02461	2.2
138.03210	2.0
139.04005	1.9
146.37605	0.8
151.07640	6.0
163.04065	0.9
165.01932	3.1
165.09254	5.7
166.02728	11.3
167.26733	0.9
175.11200	1.0
177.05540	2.2
179.03561	1.1
179.07112	6.4
180.07808	1.0
181.08711	47.3
182.09055	2.4
189.05542	1.2
191.07104	1.6
193.08679	3.6
195.06635	21.4
198.94345	0.8
205.05061	4.3
205.08813	1.4
206.02284	1.2
207.06647	8.0
208.07410	26.9
209.08176	21.9
210.08492	1.6
219.06566	3.8
221.04585	13.1
221.08037	4.9
222.04855	1.3
223.05861	0.8
225.07779	1.6
233.08328	2.1
234.05301	1.0
239.05620	4.8
247.07378	1.2
247.09764	13.3
249.11433	1.8
262.12070	1.2
263.05499	0.8
263.09183	2.1
263.12915	3.7
275.09244	2.2
275.16727	0.7
277.10883	0.8
277.38568	0.9
289.14352	0.9
341.17343	1.0
359.18655	12.2
360.19028	1.6
373.13022	1.1
387.14554	1.0
401.11652	11.7
401.16156	6.3
402.12454	1.7
405.15198	1.8
413.23401	1.5
419.13577	4.9
419.20898	100.0
420.16174	0.8
420.21216	11.4
431.20633	1.1
455.16782	1.4
473.25470	29.5
474.26160	4.8
478.83530	0.9
486.05286	1.1
655.30731	6.3
656.32361	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	655.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10659	1.3
56.87107	1.3
59.01388	30.1
62.71336	1.2
63.70355	1.3
71.05042	1.6
71.18060	3.0
71.84196	1.3
72.17011	1.4
81.03464	3.4
85.06603	2.1
87.04539	1.8
87.57809	1.2
109.02961	6.8
109.06612	3.5
111.04526	14.8
113.09709	8.6
123.08181	2.5
125.02464	5.8
125.06126	2.9
137.02466	4.5
139.04002	1.5
151.07646	14.9
153.05589	1.6
165.01990	2.7
165.09207	11.8
166.02702	10.2
167.03496	2.4
179.07146	14.1
181.08711	49.5
182.09012	3.0
183.06642	2.2
191.07138	4.8
193.08699	9.3
195.04807	2.5
195.06628	45.5
196.06970	2.7
197.08226	1.7
201.12988	1.3
205.05022	1.6
205.08720	4.0
207.06627	25.7
208.07410	35.2
209.08206	42.3
210.08464	2.6
219.06631	4.1
221.04651	7.1
221.08223	15.6
223.09825	2.7
225.07767	1.5
231.10304	1.6
233.08141	3.9
247.09776	14.7
249.11525	1.9
261.11169	1.9
263.12909	5.7
275.09421	2.7
289.10870	1.4
359.18607	20.7
360.18967	3.8
387.14569	5.6
401.16168	25.4
402.16724	3.4
413.23685	1.5
417.15543	4.0
419.20975	100.0
420.17059	1.4
420.21362	15.0
431.20709	2.4
445.22205	1.4
455.21185	1.6
473.25555	18.4
474.25818	2.5
637.30182	2.1
645.16028	1.4
655.31018	12.2
656.31079	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	655.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12041	0.6
59.01387	5.1
61.81593	0.7
61.98821	1.5
69.03445	1.3
69.79594	1.4
69.80003	1.9
71.01398	4.0
73.02962	0.6
81.03460	0.9
83.05040	1.2
85.02945	1.2
87.00885	1.3
89.02439	2.3
89.83111	0.7
95.05061	0.7
97.02957	1.5
97.06565	0.8
98.82322	0.7
101.02457	2.8
108.02178	2.5
109.02898	0.9
109.06614	4.1
113.02445	1.9
115.52865	0.8
121.03032	1.0
124.01599	0.7
125.02441	0.9
125.09723	0.6
135.04527	0.9
137.02518	0.8
147.77859	0.6
153.01952	1.0
161.04584	0.9
161.09770	0.9
163.11316	1.8
169.01407	1.1
171.10245	1.1
181.12360	0.7
183.13901	1.7
185.11823	3.0
193.12215	0.8
197.02226	2.6
207.10274	14.9
208.10611	1.1
209.11809	3.0
211.13390	23.7
212.13730	1.6
220.43776	0.6
225.11377	6.3
235.08188	1.8
251.12863	1.2
253.09329	2.1
271.09753	0.7
297.11258	1.0
329.24905	1.0
334.96582	0.7
339.23190	1.1
373.23801	1.5
383.22214	4.2
391.24963	1.3
401.23383	7.6
402.24112	1.0
413.34058	1.2
419.24274	4.3
427.28702	0.7
457.33255	100.0
458.33585	13.2
461.20227	1.6
514.04041	0.7
609.32397	1.3
611.29889	0.7
619.20679	0.8
619.30939	1.7
627.33679	1.0
637.32422	17.9
638.32770	3.2
655.34308	13.2
656.34729	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.37
Annotation	Russelioside A
Peak:m/z	Relative Intensity
59.01375	5.8
60.04605	1.9
61.98822	8.8
71.29668	3.4
78.95896	2.3
93.03473	2.3
96.95993	2.3
107.01374	2.5
109.02989	2.6
135.04515	2.2
136.05287	17.0
137.02472	7.3
139.00406	2.0
149.06114	4.7
150.06860	21.5
151.04018	2.7
152.01187	2.1
163.07613	2.5
164.08430	4.5
165.09253	6.0
166.09650	2.5
169.01450	4.3
177.24393	1.9
179.10786	6.0
195.06631	2.6
201.05594	2.3
203.29184	2.3
211.02411	2.4
243.06723	5.4
271.04688	6.8
312.99985	3.0
313.20547	2.9
327.21835	2.3
365.29703	2.4
429.29935	3.4
432.28946	4.7
446.79297	2.3
447.31219	6.7
450.17285	2.2
474.64844	2.3
475.30475	2.4
492.31265	3.2
493.31586	24.5
494.31757	3.0
655.20453	4.5
655.36975	100.0
656.37238	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	655.38
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52233	2.3
61.98817	6.5
69.38937	2.6
71.27776	2.2
78.95906	39.3
83.75341	2.3
94.18982	2.2
94.20206	2.2
125.96437	2.3
126.04378	2.0
133.02991	10.7
134.03758	2.9
135.04517	5.2
135.19200	2.7
137.02470	4.3
161.02464	34.1
178.30667	2.1
179.03549	2.4
468.57913	2.4
617.38348	5.2
619.40131	100.0
620.40253	21.8
655.30548	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	656.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	17.5
61.98820	8.7
67.51778	7.3
69.30247	31.8
83.01402	6.6
104.25262	5.6
109.02953	15.1
113.75892	5.8
119.75388	5.9
123.04579	7.4
125.02457	100.0
137.02461	24.0
139.04033	14.1
139.67929	6.4
147.04846	6.0
150.12152	6.1
161.02483	11.8
165.01958	8.7
167.03531	10.9
175.03992	20.1
177.01935	41.2
179.03548	8.4
219.06573	7.9
243.02914	8.4
255.03108	15.4
283.02591	8.6
289.07269	30.6
305.06613	36.7
407.07803	22.4
423.07315	34.3
425.08862	35.4
433.01468	6.3
441.08221	14.0
467.10004	15.7
593.12994	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	657.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.9
59.01374	2.6
67.01875	1.0
69.03451	0.9
70.72027	1.0
71.01374	7.3
77.49911	0.8
78.18376	0.9
79.01891	1.0
83.01405	0.9
85.02959	2.0
90.02289	0.9
95.01412	1.5
97.02957	2.0
101.02446	2.3
101.31033	0.9
107.01399	15.9
109.02951	1.5
111.00865	2.0
113.02448	1.5
123.00901	11.0
124.01699	1.2
125.02461	74.8
126.02811	3.0
126.46863	0.8
136.98799	1.2
137.02451	3.0
139.00366	2.7
139.04004	2.6
140.01161	3.2
150.03246	1.0
151.00375	7.6
151.04042	1.3
167.03448	1.5
168.00618	4.7
169.01439	82.9
170.01796	2.0
181.31485	1.0
183.03004	5.6
211.02525	3.6
241.03508	2.3
241.09561	0.8
254.99451	1.1
258.01608	1.2
268.68134	1.1
269.00888	0.8
269.98077	10.0
270.98834	9.3
271.04535	2.0
279.67517	0.9
283.99579	2.3
285.00436	14.9
286.01099	3.2
297.97568	34.0
298.00986	2.1
298.98322	26.8
299.99072	5.7
312.99948	67.2
313.05701	100.0
314.00647	39.7
314.05865	5.2
315.01364	7.9
316.02231	1.1
328.02252	61.0
329.03021	77.7
330.03369	7.1
330.71664	0.9
343.04590	35.4
344.05133	3.5
371.04028	1.2
432.62872	1.2
491.08261	17.2
492.08469	2.7
495.16998	2.1
537.57318	0.9
625.08380	3.1
657.10999	63.8
657.19275	2.3
658.11389	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	657.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.2
60.61518	1.1
60.96075	0.9
61.98819	1.7
67.01917	1.3
69.03454	1.7
69.07890	6.2
71.01422	3.3
79.01895	0.9
81.03451	1.2
83.01391	1.7
85.02975	1.2
86.30556	0.7
88.71043	0.6
93.03472	0.7
95.01395	2.1
97.02974	2.3
101.02480	1.7
107.01396	10.6
109.02962	1.9
111.00875	2.8
113.02445	1.5
123.00906	6.6
123.04536	2.2
124.01688	2.1
125.02461	81.8
126.02812	2.5
127.00341	0.9
136.98802	1.1
137.02478	2.5
139.00429	3.7
140.01204	3.3
141.01988	1.2
143.03514	1.2
147.04535	1.5
149.02463	0.9
151.00398	5.4
151.04077	1.5
153.01973	1.3
161.02470	1.2
165.01974	0.9
166.99905	1.4
167.03519	1.7
168.00662	5.4
169.01442	95.3
170.01793	2.7
177.01936	1.3
181.04977	0.9
189.02069	1.0
191.03520	40.9
192.03876	1.5
193.01460	1.6
205.05121	1.4
207.02838	0.9
211.02582	1.4
237.04176	0.9
253.03435	0.9
271.91537	0.7
289.07251	1.6
295.04648	3.0
301.03650	1.7
313.05664	20.9
314.06067	1.7
384.14575	0.7
465.06702	8.8
493.19992	0.7
495.13312	1.2
505.09909	12.0
506.10364	1.7
657.10956	100.0
658.11163	16.3
658.21716	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99621	0.8
59.01365	2.3
59.10926	1.0
60.15749	0.9
61.98803	4.3
61.99101	1.1
68.98074	4.7
68.98498	4.9
70.68227	1.0
86.49848	1.0
87.44765	1.0
93.03436	1.1
95.01387	1.6
95.05157	0.9
96.96024	1.1
101.02474	1.1
102.21152	0.9
108.02097	1.1
109.02908	1.0
123.00829	4.0
124.01627	1.9
125.02436	4.7
126.87697	1.1
132.78802	0.9
134.03673	1.3
135.04408	0.9
137.02496	4.8
138.03180	2.6
139.00264	1.2
139.03990	2.3
149.02347	1.6
151.00386	2.3
153.01859	3.7
153.05498	2.3
160.01631	1.0
162.03244	1.6
164.04727	1.4
165.05641	1.1
166.02632	2.8
168.04340	0.9
169.01329	3.5
175.03896	2.6
176.01024	1.8
177.01826	2.8
179.03430	1.1
179.07152	1.1
181.05110	5.7
191.03387	3.2
192.04295	4.5
193.01407	1.5
193.04918	2.1
203.03398	3.2
205.04811	1.0
207.06712	5.8
208.03804	2.1
209.04416	2.0
218.05873	1.7
219.06390	1.4
223.06120	5.5
233.08205	1.6
242.99210	1.6
243.99869	1.7
251.09251	1.7
270.98862	16.4
289.06870	1.1
297.97507	1.4
298.94995	1.3
298.98303	15.8
299.99121	100.0
300.99530	10.2
312.99823	1.4
314.00735	12.2
315.01495	92.6
316.01791	6.3
357.09598	0.9
373.12723	1.4
373.25610	4.2
387.10910	1.0
405.11841	1.8
417.12042	1.1
418.12308	3.2
432.14224	13.5
433.14474	3.6
459.05487	1.2
477.06140	2.6
477.13422	1.9
657.13855	46.5
658.14233	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	657.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03249	1.3
56.72538	1.3
57.86740	1.3
59.01365	1.5
59.89621	1.6
61.15415	1.3
66.86566	1.5
69.03434	4.6
69.20655	10.5
71.01367	3.6
84.12183	1.4
88.98773	1.6
95.01398	4.9
96.96041	2.5
97.02959	4.1
98.22542	3.0
107.01395	2.8
108.02158	2.0
109.02984	4.5
113.02488	2.4
116.54528	1.4
116.92855	3.0
121.02966	4.8
123.00916	13.3
124.01682	21.7
125.02460	50.6
126.02803	2.8
137.02444	7.2
138.03255	2.4
139.00386	2.0
149.99594	34.7
151.00343	5.6
151.04010	2.5
152.01073	1.5
153.01984	3.7
153.05646	3.5
161.02498	1.9
165.01970	2.9
166.99857	5.2
167.03535	3.4
168.00659	62.6
169.01413	16.0
177.01968	4.2
179.03476	1.8
181.01492	1.9
182.02190	3.2
183.03030	2.1
197.04568	12.7
244.67151	1.6
244.69470	1.8
255.02643	1.5
289.07245	2.3
300.99905	2.1
313.05893	1.9
331.06873	2.0
341.08997	7.0
467.13046	1.5
471.96188	1.6
493.10104	5.4
495.13635	4.5
500.92471	1.6
511.10654	19.6
657.16791	100.0
658.16986	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	657.183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07514	0.6
59.01387	5.0
62.59581	0.6
69.31238	0.7
70.59669	1.4
71.01395	2.7
77.16393	0.5
78.90504	0.8
81.03452	0.7
85.02935	1.2
88.49771	0.5
89.02431	0.8
92.03835	0.6
93.03489	1.5
95.01407	1.0
101.02435	1.4
107.01420	0.7
108.02184	67.9
109.02998	14.3
113.02463	1.5
121.02962	2.0
122.03750	0.6
123.00866	0.8
123.04536	1.7
125.02446	1.8
130.48927	0.6
132.02176	1.5
133.02963	17.1
134.03702	2.4
135.04538	13.1
137.02448	5.1
139.04021	1.1
149.02495	2.9
149.06075	1.6
150.03265	1.2
151.03937	0.8
152.01166	88.5
153.01956	13.6
154.02338	0.8
158.43858	0.6
161.02460	49.9
162.02824	1.5
163.04025	0.8
164.04823	4.0
165.05545	1.1
169.01402	1.9
175.07732	0.7
177.05655	1.2
178.02748	1.3
179.03503	8.8
195.06642	1.0
204.47134	0.6
221.04608	1.6
229.05046	0.6
315.07272	5.9
323.07803	3.6
361.16650	2.0
373.25812	1.1
433.11447	3.8
476.09244	1.0
477.10095	2.9
491.12042	2.2
657.18292	100.0
658.18689	17.1
658.29919	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	13.3
61.98840	5.7
68.98246	10.0
71.01384	4.2
81.03448	1.4
85.02962	2.9
87.00848	1.3
89.02462	3.3
93.03459	2.2
97.02947	1.3
99.04536	1.3
101.02464	2.2
107.93926	1.0
108.02182	66.5
109.02982	14.3
113.02435	2.3
121.02969	2.5
123.00853	1.9
123.04503	3.1
125.02456	5.8
133.02975	14.7
134.03719	2.1
135.04539	9.4
136.01682	1.3
137.02414	7.4
139.03925	1.2
148.05318	3.3
149.02446	4.7
149.06114	2.1
151.03990	3.6
152.01161	100.0
153.01955	12.1
161.02461	29.8
162.02870	1.1
163.03973	1.2
163.07632	1.7
163.11440	1.4
164.04793	10.1
165.01852	1.6
165.05595	1.2
167.03571	1.4
169.01453	3.1
177.01950	2.7
177.05630	1.2
178.02780	4.2
179.03510	7.1
179.07085	1.9
181.01410	2.5
193.05109	3.6
195.06625	3.6
209.11856	1.0
211.02498	1.2
227.12921	3.6
271.04791	1.5
281.06757	2.6
289.79120	1.2
311.08249	1.5
315.07321	9.0
317.08282	1.1
323.07724	2.2
343.11838	1.4
433.11392	1.9
448.31738	1.6
476.09412	11.6
477.09976	6.2
491.11926	3.2
639.17017	7.9
640.20172	1.2
648.68787	1.2
657.18292	91.1
657.34009	7.4
658.18597	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	657.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	0.6
61.98818	1.4
69.72121	0.8
69.72512	0.5
76.33948	0.4
85.60388	0.3
96.95991	0.5
106.25945	0.3
107.01384	0.3
123.00903	0.5
125.02457	2.1
130.00562	0.7
136.05324	0.9
137.02463	1.0
146.00107	0.6
149.06046	0.4
150.03110	0.4
150.06897	0.4
151.00371	0.9
151.03981	0.7
162.03284	0.3
169.01424	2.5
173.99646	0.5
183.02934	0.3
185.99586	0.4
189.99016	0.4
197.99619	1.3
213.99089	0.4
229.01271	0.6
241.98599	1.2
243.06599	2.3
244.06871	0.3
254.99425	2.3
257.00870	1.5
269.98065	29.1
270.98502	2.5
271.06287	0.7
282.99008	0.6
283.99387	0.4
285.00424	15.4
286.00790	1.2
297.97562	56.7
298.98004	4.3
299.01425	0.6
299.98752	0.3
312.99918	100.0
314.00354	7.8
315.01605	0.7
327.01398	0.4
328.02255	46.7
329.02921	8.4
330.03128	0.5
495.32593	0.3
554.29260	0.4
561.58667	0.3
571.10101	0.4
642.15924	3.7
643.16296	0.6
657.18250	65.1
657.36835	2.2
658.18457	10.3
658.36768	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.1
61.98811	0.9
65.00333	0.7
70.61686	1.5
73.96482	0.6
88.98824	1.0
107.01372	1.8
123.00833	2.2
123.04440	0.8
125.02441	10.8
135.04526	0.7
137.02408	2.8
139.00406	1.1
144.30099	0.7
151.00377	1.2
153.01997	0.8
159.21629	0.8
161.02487	0.9
164.04756	1.0
167.03426	0.8
169.01447	11.3
175.03941	1.0
177.01830	1.2
179.07123	1.2
192.04390	0.8
197.99556	1.5
207.06557	2.3
213.02196	1.3
241.98586	1.0
254.99332	1.5
257.00842	1.4
269.98038	24.3
270.98593	2.6
285.00458	16.2
286.00745	1.4
289.07004	0.7
297.77228	0.7
297.97565	58.4
298.97971	5.1
299.99115	10.5
312.99921	100.0
313.05185	7.9
314.00461	10.6
315.01465	8.6
328.02234	52.6
329.02847	8.6
343.04620	16.6
344.04929	1.5
419.57465	0.8
477.13879	1.3
517.28931	0.9
642.16162	3.8
643.16302	0.9
657.18384	78.5
658.18689	11.3
689.23822	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	10.5
60.83877	2.7
61.98826	9.9
63.60966	2.7
65.00328	7.1
65.03192	3.1
71.01382	6.7
77.42171	2.6
82.81374	2.8
87.05651	2.8
93.03450	4.8
98.05675	2.7
98.21745	7.1
107.01369	19.5
109.03014	3.4
116.92857	3.4
119.05032	16.0
123.00880	13.6
123.04543	3.9
125.02450	43.1
136.01666	9.2
136.05295	5.3
137.02487	5.7
139.00426	7.4
139.04143	3.7
140.01173	6.3
149.06065	4.5
150.06836	6.4
151.00397	40.2
151.04019	5.9
163.07689	4.7
165.01979	3.6
165.10384	7.2
168.00620	6.7
169.01460	44.9
179.10661	3.1
183.11432	3.2
200.14038	3.3
201.05630	3.0
209.11696	3.8
243.06660	21.3
261.43246	3.0
269.98093	28.3
271.06171	56.4
285.00427	14.3
297.97543	60.3
298.98038	8.9
312.99933	100.0
313.05740	9.0
314.00449	9.7
328.02246	58.1
329.03043	28.0
374.55679	3.8
411.30890	2.8
495.37308	6.5
501.33749	3.2
656.41333	23.7
657.19788	89.1
657.35376	49.0
658.18933	15.9
658.35034	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	657.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.5
71.01378	1.6
71.27445	0.5
73.02940	1.0
79.16956	0.5
85.02937	1.5
95.01369	0.6
101.02472	0.5
108.02178	53.5
109.02977	17.8
113.02448	1.2
123.00864	0.9
123.04488	1.1
123.58401	0.5
133.02975	1.0
151.04008	0.8
152.01154	46.9
153.01952	16.1
154.02336	0.7
163.03987	0.9
165.01950	1.4
191.08249	0.5
272.04401	0.5
315.07224	100.0
316.07544	6.6
398.50171	0.5
594.75476	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98399	0.5
55.43409	0.5
66.23837	0.6
68.39658	0.5
69.74259	2.1
71.01386	0.9
72.28520	0.6
73.02940	1.0
74.01451	0.5
85.02938	1.1
92.19363	0.5
95.01408	0.8
108.02179	52.1
109.02989	15.3
121.02972	0.8
123.04514	0.8
125.02453	0.7
125.80148	0.6
132.52397	0.6
151.04048	1.6
152.01160	44.8
153.01955	19.9
163.04034	1.3
165.01947	1.3
171.28305	0.6
178.02119	0.6
203.22383	0.6
221.20303	0.6
221.86087	0.6
248.49324	0.5
315.07233	100.0
316.07529	6.7
394.37320	0.7
398.99142	0.7
401.89349	0.6
422.28131	0.6
685.56604	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60757	0.6
59.01382	7.0
61.98827	12.6
67.01878	1.2
67.50902	0.8
68.99802	1.1
69.03446	2.2
69.27835	1.5
69.28237	3.7
71.01377	8.5
72.99279	1.2
79.01867	1.0
83.01405	1.3
85.02962	3.0
87.00897	1.5
88.98831	0.8
89.02450	1.6
93.03488	1.4
95.01398	3.0
96.95995	0.7
97.02944	1.5
97.06638	1.0
98.22552	1.3
99.00879	0.9
101.02431	4.1
101.24648	0.7
107.01393	11.9
108.02193	1.6
108.97031	0.7
109.02980	2.6
111.00883	3.2
113.02472	2.5
113.07885	0.7
116.92884	2.4
121.02971	1.0
123.00890	17.6
123.04521	1.8
124.01685	8.0
125.02455	54.3
126.02781	1.3
127.00366	1.4
135.04538	1.8
136.01678	6.3
136.98827	2.0
137.02431	5.4
138.03207	1.2
139.00401	5.6
139.04001	5.5
139.11316	1.2
140.01164	3.3
141.01971	1.6
146.94855	0.8
148.05342	1.0
149.02469	1.7
149.06107	1.4
151.00377	8.3
151.04015	8.1
153.01947	1.8
161.02434	1.0
161.04587	4.0
164.04845	2.2
165.05553	3.1
167.03496	2.1
168.00618	5.4
169.01431	64.4
170.01778	2.0
179.03473	1.4
179.07072	1.7
181.04974	0.7
183.03004	4.4
183.10216	1.2
185.11888	1.4
205.05017	1.0
209.04665	1.5
209.11725	3.5
210.12141	1.6
211.13509	1.2
216.19536	0.7
253.03630	1.0
257.17572	2.8
266.00885	0.8
299.99347	1.3
301.09360	1.8
311.07758	1.1
313.05624	18.6
314.06058	2.0
315.12344	1.5
325.23959	1.6
327.07468	1.9
328.13046	1.1
329.03461	1.1
329.14066	2.6
343.15485	2.4
343.24945	1.0
355.24945	4.3
373.25961	27.5
374.26382	1.9
379.92160	0.9
418.69202	0.8
435.30954	0.9
459.31146	1.1
574.18744	0.8
657.21893	100.0
658.22162	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	657.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	2.0
61.98802	0.7
64.66262	0.4
65.00316	0.5
67.01897	1.1
69.03464	1.3
71.01385	2.9
71.28175	0.4
72.99306	0.8
73.69815	0.5
79.01889	1.7
81.50804	0.4
83.01393	1.0
85.02950	1.3
87.00878	0.6
88.62480	0.4
95.01402	2.7
97.02948	1.2
99.00874	0.5
101.02476	1.6
107.01397	11.8
107.02078	0.9
108.02198	0.8
109.02959	1.2
110.00161	0.4
110.65817	0.5
111.00875	1.9
113.02458	1.3
121.02912	0.5
123.00893	15.9
123.04521	0.7
124.01711	3.6
125.02455	54.7
126.02795	1.5
127.00405	0.6
133.02975	3.0
135.04539	1.8
136.01677	8.9
136.98808	1.6
137.02487	2.6
138.03223	1.6
139.00372	4.8
139.04019	2.6
140.01187	3.9
141.01872	1.3
148.05266	0.5
149.02400	0.5
149.06116	0.5
151.00385	7.0
151.04004	8.9
151.05081	0.4
153.01886	0.9
161.02432	7.1
162.12701	0.4
164.04797	0.7
165.01939	0.6
165.05563	1.4
167.03450	0.7
168.00638	4.0
169.01431	57.8
170.01750	2.1
175.07651	0.7
176.08511	0.6
178.02699	0.5
179.03554	1.5
183.02972	3.6
209.11896	0.5
211.02478	1.1
211.13474	0.7
241.03488	1.0
253.03516	0.6
313.05658	16.8
314.05966	0.9
323.07739	1.5
325.14490	0.5
327.07281	1.7
328.12970	1.0
329.13998	1.6
343.15475	1.2
373.25995	3.9
374.26440	0.5
435.31296	1.0
462.11752	1.6
463.12469	2.0
477.13748	2.6
505.97037	0.5
657.21924	100.0
658.22290	19.0
658.32642	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.8
57.03461	1.5
57.12704	0.5
59.01382	13.9
61.98819	0.8
67.01892	0.8
69.03461	1.2
71.01389	6.2
72.99330	1.1
79.01895	1.1
81.03467	0.9
83.01404	1.7
85.02947	1.4
87.00876	0.9
88.98796	0.6
89.02448	2.4
93.03500	0.6
95.01416	2.3
97.02977	1.6
101.02439	3.9
107.01397	10.1
107.05109	0.5
108.02205	1.0
109.02963	1.3
110.00052	0.7
111.00875	3.1
113.02469	3.5
119.03513	1.3
119.05049	1.4
120.99664	1.2
123.00890	15.4
123.01771	0.8
123.04509	0.8
124.01717	4.0
125.02457	54.5
126.02814	1.5
130.37787	0.4
135.04559	0.7
136.01657	7.5
136.05244	1.0
136.07697	0.7
136.98831	1.7
137.02457	4.1
139.00381	5.9
139.04063	1.6
140.01167	3.6
141.01909	1.1
141.31468	0.5
143.03577	0.5
149.06151	1.3
150.06897	1.5
151.00392	7.8
151.04028	8.6
153.02040	0.7
161.02483	1.1
161.04596	1.6
165.05627	2.1
165.09224	0.6
166.99843	0.6
167.03558	0.7
168.00633	5.4
169.01434	62.2
170.01816	2.2
171.10201	0.5
179.05698	0.6
181.05095	0.7
183.03015	4.4
191.07190	1.0
209.11819	3.1
211.02576	1.8
211.13354	3.9
214.65646	0.5
227.13052	1.3
228.86278	0.5
241.03563	0.6
242.10583	0.6
257.13058	1.8
266.36026	0.5
269.04422	0.7
269.98129	2.1
285.00525	0.8
295.09894	0.6
297.06351	0.7
297.97543	4.7
298.98453	0.5
299.11349	4.6
301.12027	2.1
313.00006	8.1
313.05627	17.5
313.09265	1.0
314.00351	1.2
314.06216	1.2
325.14484	1.0
327.07327	1.7
328.02292	3.3
328.13290	1.8
329.14026	1.9
329.23312	0.6
343.15604	2.2
357.26541	1.5
371.24954	0.6
373.25925	5.6
375.27527	18.6
376.27927	1.4
428.68036	0.6
495.33395	1.3
597.39911	3.0
657.21973	100.0
657.35968	5.9
658.22266	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	657.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	4.0
69.56524	1.4
69.56911	2.1
71.01368	0.8
95.01403	0.9
97.43169	0.7
108.02216	1.6
109.02969	1.7
119.05128	0.7
123.00902	2.3
124.01670	2.6
125.02457	7.2
137.02470	2.4
137.11789	0.7
138.03281	1.6
139.03995	6.6
145.02942	3.0
147.04520	1.7
149.02425	0.8
151.00381	15.5
151.03973	1.2
152.01097	2.9
153.01973	1.1
153.05591	1.1
160.01694	1.0
161.02422	1.7
163.04033	2.3
166.02727	45.6
167.03360	3.7
169.01442	3.3
173.02457	3.2
173.85364	0.7
174.03249	2.3
175.04012	7.7
176.04765	1.0
177.01891	0.9
177.05630	1.9
178.06282	1.6
178.16760	0.7
181.05077	66.1
182.05432	2.7
188.04813	1.9
189.05684	2.7
190.06329	5.5
191.07109	2.0
193.05057	6.3
194.05722	1.2
203.07088	1.0
205.08725	6.8
207.06670	2.1
208.07384	5.4
223.03741	0.9
223.09778	13.3
224.10146	1.0
241.05052	1.1
253.05017	1.2
263.51785	0.8
269.04474	4.1
284.06854	1.8
297.04062	12.5
297.07117	1.5
298.04343	1.3
299.09134	2.0
300.99841	1.2
309.07745	1.9
312.06406	14.8
313.06403	0.9
315.23206	0.8
327.08752	27.8
328.09155	3.6
331.65259	0.8
342.11099	43.6
343.11438	4.1
357.13437	76.0
358.13708	7.3
375.14536	19.2
376.14902	1.7
387.10422	1.3
387.49640	0.9
405.15573	100.0
406.15836	7.8
417.15601	9.3
435.16577	9.7
436.16663	0.8
495.11612	2.2
529.36163	0.8
567.20715	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38644	1.1
56.30324	0.9
57.03458	2.6
59.01381	1.2
70.49452	1.0
71.01369	1.3
71.29141	1.1
81.03462	2.4
83.01396	3.3
90.41024	1.0
93.03491	1.6
95.01344	1.2
95.05038	3.8
97.02969	6.6
101.02433	1.5
109.02960	22.2
121.02981	2.3
123.04534	15.1
125.02451	17.2
135.04543	1.5
137.02481	9.3
138.03209	1.5
139.04041	4.2
146.80042	1.0
149.02451	5.1
150.03146	1.3
151.04015	8.0
159.04561	2.9
159.51382	1.0
161.06091	3.9
162.03224	1.4
163.04056	1.6
164.01143	3.9
165.01945	4.2
166.02747	3.0
167.03503	2.3
169.01494	1.5
175.04053	3.6
175.07666	1.6
179.03505	4.7
181.05061	5.0
185.06337	1.1
187.04021	3.2
188.04803	2.7
197.55701	1.2
202.06425	1.5
203.07166	12.1
205.05052	6.7
217.80763	1.1
221.08232	2.0
227.07187	2.5
245.08261	16.0
289.07190	100.0
290.07663	6.6
327.08472	1.6
342.10986	3.0
350.29944	1.6
357.13409	4.4
375.14795	1.8
405.15591	5.0
438.78110	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08925	0.2
59.01365	0.8
60.31517	0.2
61.98819	0.3
62.29347	0.3
65.24792	0.2
67.36092	0.2
69.45653	1.4
71.01381	0.4
73.70020	0.2
78.78689	0.2
87.37393	0.2
88.78169	0.2
93.03456	4.8
95.01411	0.3
96.96027	0.2
98.21803	0.2
107.01387	0.3
108.01495	0.3
108.02185	4.9
109.02962	7.1
110.03291	0.3
116.92847	0.5
119.04996	0.5
120.99722	0.3
121.02962	14.7
122.03761	9.2
123.00867	1.1
123.04571	2.4
124.01685	1.3
125.02469	2.2
129.03485	0.6
133.02957	1.0
134.03719	1.1
135.04538	3.0
136.01703	0.5
136.05287	0.8
137.02457	8.3
139.04037	0.5
146.03746	0.6
147.04538	6.3
148.05222	0.8
149.02448	0.3
149.06065	1.0
150.03191	0.6
151.04021	1.6
152.01163	5.9
153.01953	2.7
154.02725	3.2
160.05338	0.4
161.02461	3.0
161.04869	0.4
161.06047	2.1
162.06833	0.6
163.03979	0.8
164.04788	1.1
165.05582	24.2
166.05934	0.9
168.00607	0.3
168.04340	0.4
169.01472	1.8
173.06142	0.3
175.07646	0.4
177.05650	0.4
178.06421	0.5
179.03564	1.0
179.07159	8.2
179.10596	0.3
180.07500	0.3
191.07141	0.4
191.58913	0.3
193.04918	0.4
209.08177	0.9
223.09764	0.7
237.11604	0.3
243.06627	0.4
298.12207	0.6
313.14374	1.0
315.07251	0.2
315.12473	2.1
316.13257	0.4
329.14175	0.3
331.15393	0.5
343.15512	0.6
345.13101	0.3
346.14264	8.2
347.14731	0.6
361.16571	100.0
362.16928	10.1
384.46686	0.3
433.11630	0.3
495.33200	0.3
505.20300	0.3
657.18616	7.3
658.18756	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62336	1.1
55.43283	1.0
57.03447	3.1
59.01388	26.7
61.98824	4.6
63.52222	1.0
65.93244	1.0
69.03470	1.3
71.01381	14.7
83.01403	2.7
85.02959	7.4
87.00887	1.5
89.02456	3.7
93.03443	1.2
94.69881	1.1
97.02998	1.8
99.00890	3.4
99.04530	1.3
101.02445	11.4
107.01420	1.4
108.02181	17.2
109.02975	6.8
113.02444	6.7
116.26518	1.2
123.00885	1.7
123.04526	5.2
125.02489	6.5
133.02974	6.9
135.04533	7.2
137.02457	4.1
139.00365	2.0
139.04013	2.1
139.11305	35.0
140.11673	1.7
145.45378	1.2
149.06151	1.3
151.00363	1.7
151.03986	1.9
151.16470	1.1
152.01167	23.0
152.02385	1.7
153.01941	5.8
153.05565	4.4
159.02917	1.4
161.02478	20.4
161.04555	2.7
162.02855	1.6
164.04819	3.4
165.05646	1.7
165.36900	1.0
169.01456	4.5
169.12372	1.3
179.03540	7.0
181.12398	8.9
183.10268	39.1
184.10670	1.9
187.04158	1.0
197.11946	1.4
221.04633	1.6
225.11354	7.4
228.73392	1.3
243.12479	3.0
269.10425	3.3
289.07108	1.6
323.07822	5.3
373.25992	2.9
380.17722	1.1
413.14658	2.7
431.15671	1.6
461.14896	1.6
477.14337	3.0
493.65771	1.1
503.15570	2.4
567.24554	1.2
591.80341	1.3
597.25269	2.5
639.26630	6.8
640.26758	1.6
657.18213	18.2
657.27777	100.0
658.18427	5.3
658.28143	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69994	1.0
57.03439	2.5
59.01384	91.2
59.70501	0.9
61.98833	8.6
67.01881	1.2
70.08669	1.1
71.01385	22.0
71.28352	1.0
72.99290	1.4
73.01967	1.2
73.02348	1.3
73.02955	11.4
73.83115	1.0
76.92962	1.1
81.03448	2.5
83.01392	4.5
85.02956	4.0
87.00890	2.5
88.98801	2.1
89.02448	11.8
93.03488	5.8
95.01392	1.8
95.05055	1.3
96.95980	1.2
97.02956	1.4
99.04529	2.0
101.02454	15.2
107.01391	2.1
108.02176	11.0
109.02966	14.0
109.06616	1.2
111.04549	2.7
113.02467	8.3
119.03520	4.0
121.02963	2.9
123.00900	3.8
123.04547	7.8
124.01688	1.8
125.02451	23.9
133.02965	5.1
133.06541	1.2
135.04565	6.1
136.01653	1.4
137.02455	12.1
139.00375	2.3
139.04041	1.5
140.01195	1.4
148.05365	3.0
149.02452	2.1
149.06013	1.3
151.00400	3.9
151.04060	3.5
151.07619	6.4
152.01149	13.8
153.01956	12.4
153.05579	4.6
161.02475	13.7
161.04523	1.8
163.07716	2.0
163.11301	8.0
164.04793	1.9
165.01936	2.2
165.05547	1.6
167.03493	1.5
168.00580	1.3
169.01440	15.0
177.02055	1.0
178.02728	3.6
179.03563	5.1
179.07054	1.0
191.03389	1.0
193.05038	3.9
195.06631	22.6
196.07014	3.8
207.10265	12.0
209.11829	3.5
225.11342	1.2
227.12903	5.2
239.05678	1.1
243.02986	1.5
245.08218	1.6
255.03027	4.7
269.13892	2.6
271.02377	9.2
271.06308	2.4
281.06686	2.4
287.15015	4.0
289.07114	5.0
300.02740	11.8
301.03439	5.8
313.05695	3.7
314.06140	1.4
320.70538	1.2
330.06686	16.3
330.56921	14.8
331.07016	4.2
369.15457	2.1
373.26050	2.5
387.16620	21.4
388.16650	1.8
429.17673	14.2
465.06781	2.0
475.12726	3.5
477.14740	1.3
485.14383	1.9
533.17328	1.3
579.28149	1.7
597.29547	2.2
614.40363	5.8
621.63940	1.2
639.30304	12.4
640.30573	1.7
657.18787	19.7
657.31305	100.0
657.41370	4.0
658.18671	5.4
658.31677	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	657.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21795	0.3
52.53235	0.6
54.32668	0.4
57.98668	0.3
58.00592	0.3
59.01377	3.2
61.98828	0.5
66.46085	0.3
69.03454	0.5
69.09014	2.4
71.01382	3.0
72.99306	0.3
73.02952	0.7
77.56658	0.3
80.02667	0.6
81.03466	1.1
83.01401	0.7
83.05029	4.1
84.02173	0.5
85.02934	0.9
87.00861	0.9
87.42139	0.3
89.02450	2.2
101.02459	2.6
108.02180	0.9
113.02470	1.4
113.30502	0.3
119.03501	0.5
122.88722	0.3
123.04568	0.5
125.06134	0.4
135.08226	0.5
137.06058	0.3
147.80942	0.3
161.04535	1.0
163.11301	3.0
164.11734	0.4
165.12872	2.0
167.10770	0.4
167.14418	0.9
171.10280	1.5
179.05592	0.4
181.12331	0.5
183.13921	7.1
191.03529	1.0
191.10786	0.9
193.12428	2.4
209.11841	75.4
210.12195	4.1
211.13397	100.0
212.11842	0.5
212.13745	6.1
223.30885	0.3
227.12878	11.0
228.13271	0.7
235.08255	3.1
249.15015	1.4
253.09308	8.7
254.09726	0.4
284.07416	0.3
315.08707	1.1
403.24802	0.6
445.20547	0.4
447.22382	3.5
448.22681	0.4
491.06500	0.3
621.33063	1.1
639.33618	0.6
657.35602	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3933
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98815	3.4
63.92193	1.4
69.01033	5.0
69.01447	8.7
71.60228	1.3
72.99341	2.0
73.05004	1.2
74.71963	1.4
81.03467	1.7
88.98815	1.6
95.01387	1.7
97.06613	3.1
99.00912	2.5
99.92606	1.8
103.25507	1.6
109.49438	1.4
111.08143	1.5
113.53753	1.5
115.92095	5.5
116.92897	2.5
125.09740	4.6
133.02951	11.0
135.04546	4.1
137.02481	3.4
139.03998	1.5
145.03076	1.5
161.02458	30.4
179.03494	1.9
329.23193	1.4
388.14584	1.5
572.27795	1.6
619.36560	3.6
621.41785	100.0
622.42157	17.2
639.45197	2.4
657.36896	6.6
657.46466	2.9
658.37042	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	657.394
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98839	2.7
69.21823	7.7
78.95899	3.2
86.01470	1.2
98.21808	2.4
125.09700	4.0
133.02971	15.8
134.03735	3.9
135.04576	8.7
137.02444	7.3
145.03105	1.4
161.02454	42.4
211.56203	1.5
339.35117	1.6
441.66556	1.5
619.40363	6.2
621.41614	100.0
622.41992	23.7
631.24567	1.4
657.35547	2.2
657.45709	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	657.4588
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.3
71.30043	0.5
78.95910	0.8
83.05002	0.7
95.05021	1.5
97.06593	10.6
101.37598	0.5
123.08169	5.8
125.09736	57.8
126.10075	1.7
127.11300	2.1
133.02986	0.8
136.33611	0.5
143.10832	1.8
155.10793	1.1
157.12352	0.8
161.02496	3.7
169.08730	1.3
171.10265	1.0
173.11833	18.7
179.03461	0.6
187.08101	1.0
187.09775	20.7
210.19302	0.5
295.22787	1.1
313.23859	6.2
325.20499	0.6
329.23456	0.6
331.24915	10.2
332.25302	1.1
343.21262	1.0
395.17410	0.6
483.32837	2.4
487.36597	2.5
501.34506	1.8
619.40320	0.8
621.41718	14.3
622.42236	3.1
639.44629	1.4
657.45892	100.0
658.46283	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	658.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67322	2.8
57.03436	3.0
63.83528	2.6
71.01385	5.1
71.27619	2.8
74.55585	2.8
85.02938	5.0
90.50606	3.3
91.52970	2.6
93.03472	3.6
101.02448	6.7
109.02939	5.1
113.02432	3.3
123.00834	4.6
125.02452	25.4
130.06645	6.5
135.04453	3.2
137.02452	7.0
139.04033	3.4
142.06628	4.7
144.04536	6.8
144.08192	10.9
146.06128	44.0
151.00206	2.9
151.03998	5.0
160.07677	10.8
161.04530	3.2
165.01872	3.8
167.03487	6.0
170.06076	5.3
175.04051	3.7
177.01941	6.9
179.03564	4.8
186.05637	3.9
188.07173	17.6
191.05614	58.9
219.06590	4.9
221.04732	2.9
289.07257	3.4
300.99863	4.5
305.06677	15.0
352.10388	100.0
353.10370	4.9
479.36243	2.9
566.71326	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	659.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.8
57.59427	0.5
59.01371	1.1
65.89026	0.5
71.01376	1.2
83.01342	0.6
85.02966	6.0
87.00877	1.6
93.03473	2.2
109.02938	1.4
111.04512	1.0
123.04483	0.7
125.02458	10.2
127.04020	1.1
133.02946	0.8
135.04501	0.8
137.02444	2.0
139.04016	1.1
146.06143	2.8
147.06487	0.7
151.04039	1.5
160.07761	0.8
161.02449	2.3
165.01878	0.8
167.03496	1.7
169.01390	1.4
173.04526	1.3
177.01962	2.2
179.03491	1.4
191.05626	100.0
192.06023	3.1
277.62515	0.6
289.07306	1.2
303.05087	0.7
303.75665	0.6
305.06723	4.0
306.07028	0.7
352.10379	3.7
353.08392	8.8
361.63730	0.5
400.07675	0.6
499.48224	0.7
511.83597	0.6
587.54553	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.2
59.01411	1.8
60.99299	9.7
63.23031	1.2
66.15691	1.1
68.29533	1.2
71.01381	2.1
74.44507	1.1
74.85287	1.1
79.01899	1.3
88.47302	1.1
88.98814	58.2
95.01405	2.2
96.96002	3.5
99.38783	1.1
107.01393	3.6
109.02991	2.7
111.00924	1.9
118.07533	1.3
121.02995	2.7
123.00901	10.3
123.04556	1.4
124.01694	2.2
125.02459	34.6
125.03349	2.3
136.98920	1.7
137.02493	4.1
139.00403	3.8
139.04071	1.4
140.01167	4.8
141.02013	2.0
149.02448	2.6
151.00368	8.0
151.04059	4.4
152.31265	1.2
153.02075	1.3
161.02435	3.1
165.01926	1.7
166.06306	9.0
167.03418	2.4
168.00688	7.0
169.01447	28.2
171.20813	1.3
175.37279	1.4
177.01950	3.6
179.07121	2.2
181.08739	3.6
183.02945	1.7
211.02516	2.9
225.04132	2.8
227.09355	2.0
243.03015	2.6
244.29150	1.4
261.04095	1.8
271.04626	2.1
287.05634	1.4
289.07205	2.2
300.99936	3.2
313.05817	2.7
341.15994	1.3
362.04166	1.2
387.09454	2.2
569.18768	100.0
570.19037	13.9
659.18689	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	659.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08061	0.9
59.01385	7.0
61.17739	0.9
61.98836	4.6
63.91003	0.8
71.01373	2.7
71.52520	0.9
85.02953	1.1
89.02460	1.3
93.03459	2.2
95.01376	1.0
108.02164	2.2
109.02999	1.0
113.02427	2.2
116.92877	1.2
119.05076	1.0
121.02966	2.6
123.00918	1.5
123.04527	2.4
125.02428	2.9
135.04547	1.0
137.02443	5.1
139.04041	1.4
139.11310	2.4
146.00166	1.0
151.04022	2.2
163.04080	1.4
169.01436	2.3
169.12352	1.7
171.10245	1.1
183.08057	0.9
183.10257	2.7
185.11829	1.2
191.03494	3.8
197.11794	1.3
197.99545	1.3
209.11833	6.9
210.12302	1.2
212.13695	1.2
225.11316	1.2
227.12839	1.5
249.04092	1.2
254.99390	2.7
269.98056	28.4
270.98557	2.7
271.01920	1.0
285.00430	16.6
297.97562	57.6
298.97852	4.7
299.99271	1.2
300.99844	1.0
312.99924	100.0
314.00394	7.7
315.08832	3.0
328.02252	57.5
329.02682	4.9
415.32236	2.8
459.31204	18.3
460.31525	4.4
461.31812	2.7
465.16534	1.2
501.33163	1.3
644.16901	4.6
659.19836	93.4
659.35846	15.4
660.20343	15.2
660.36713	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	659.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.6
59.01374	2.5
61.98840	1.8
63.45173	0.6
65.00328	0.7
67.01891	1.4
69.03461	1.0
69.17607	2.8
69.18033	2.0
71.01401	4.0
79.01881	1.0
83.01411	0.9
85.02946	1.1
86.54357	0.6
87.00863	0.7
88.92080	0.6
95.01385	1.8
97.02963	1.3
101.02461	1.8
102.04600	0.7
107.01411	10.9
111.00874	2.6
113.02470	1.4
120.40485	0.7
120.99660	2.3
121.02954	1.5
123.00893	9.6
123.71052	0.6
124.03313	0.7
125.02458	55.6
126.02778	1.1
127.14738	0.7
135.04536	0.9
136.98842	1.3
137.02475	1.5
139.00392	4.1
139.04028	0.8
140.01144	2.6
141.01895	1.1
145.02960	0.9
151.00378	7.6
153.70943	0.7
159.95596	0.6
161.02432	0.7
166.02516	0.8
167.07135	1.0
168.00668	3.3
169.01434	71.1
170.01746	1.7
172.20480	0.7
177.02037	1.2
181.01381	0.9
183.03003	1.4
201.65497	0.7
209.08160	2.1
211.02454	1.1
241.03481	1.4
255.06638	2.4
257.89432	0.7
267.06830	0.9
269.08218	1.9
283.09619	0.7
284.10471	1.3
289.07031	0.8
295.09567	0.7
296.10498	1.1
297.06079	1.1
299.09644	0.8
300.10059	9.8
301.10703	2.1
311.09180	1.9
312.09940	4.5
313.05679	17.8
314.05972	1.1
315.12387	10.7
316.12576	1.0
327.12433	1.7
380.42346	0.7
397.79382	0.7
511.51703	0.7
564.62866	0.7
659.19794	100.0
660.20178	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	659.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.6
59.01374	2.5
61.98840	1.8
63.45173	0.6
65.00328	0.7
67.01891	1.4
69.03461	1.0
69.17607	2.8
69.18033	2.0
71.01401	4.0
79.01881	1.0
83.01411	0.9
85.02946	1.1
86.54357	0.6
87.00863	0.7
88.92080	0.6
95.01385	1.8
97.02963	1.3
101.02461	1.8
102.04600	0.7
107.01411	10.9
111.00874	2.6
113.02470	1.4
120.40485	0.7
120.99660	2.3
121.02954	1.5
123.00893	9.6
123.71052	0.6
124.03313	0.7
125.02458	55.6
126.02778	1.1
127.14738	0.7
135.04536	0.9
136.98842	1.3
137.02475	1.5
139.00392	4.1
139.04028	0.8
140.01144	2.6
141.01895	1.1
145.02960	0.9
151.00378	7.6
153.70943	0.7
159.95596	0.6
161.02432	0.7
166.02516	0.8
167.07135	1.0
168.00668	3.3
169.01434	71.1
170.01746	1.7
172.20480	0.7
177.02037	1.2
181.01381	0.9
183.03003	1.4
201.65497	0.7
209.08160	2.1
211.02454	1.1
241.03481	1.4
255.06638	2.4
257.89432	0.7
267.06830	0.9
269.08218	1.9
283.09619	0.7
284.10471	1.3
289.07031	0.8
295.09567	0.7
296.10498	1.1
297.06079	1.1
299.09644	0.8
300.10059	9.8
301.10703	2.1
311.09180	1.9
312.09940	4.5
313.05679	17.8
314.05972	1.1
315.12387	10.7
316.12576	1.0
327.12433	1.7
380.42346	0.7
397.79382	0.7
511.51703	0.7
564.62866	0.7
659.19794	100.0
660.20178	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	659.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.4
61.98828	6.3
64.23473	0.7
69.03469	0.9
71.01361	2.3
71.28127	1.1
81.03445	1.5
83.05035	1.3
85.02953	1.0
89.02472	1.3
95.01414	1.1
96.95997	1.1
99.00845	0.7
100.98982	0.7
101.02478	1.7
104.97520	0.7
107.05043	1.2
108.02184	42.3
109.02988	1.8
111.00861	1.1
113.02421	0.9
119.05041	2.2
121.02975	0.8
123.00886	1.8
123.04539	25.6
125.02443	2.8
134.03731	1.3
135.04538	24.6
135.86320	0.8
136.01695	1.0
136.04869	0.9
137.02422	3.2
143.03502	0.7
148.01677	1.3
150.03094	0.9
151.04004	1.1
151.11240	1.4
153.01962	1.2
153.05569	0.7
163.04022	40.9
164.04416	2.2
165.05624	1.0
169.01427	1.1
169.12363	5.9
171.10287	1.3
177.05530	1.4
179.03551	1.4
179.07146	1.3
185.11743	0.9
191.03552	1.6
193.08653	0.7
197.11766	0.8
199.13467	1.1
207.02988	50.0
208.03300	2.2
209.09927	0.7
209.11845	11.9
210.12149	4.2
210.96219	0.7
211.13457	7.9
212.13756	3.2
213.11292	1.8
213.14072	1.6
219.06599	1.3
219.20987	0.7
227.12891	2.5
228.13219	0.9
229.01448	0.9
240.04419	0.9
315.08658	1.7
327.12210	1.4
331.08237	100.0
332.08588	8.3
336.04330	0.8
449.20142	1.3
455.31668	1.3
461.32657	5.1
546.15436	1.0
579.78583	0.7
659.22229	1.4
659.32843	11.5
660.32623	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92365	0.8
57.03430	1.9
59.01376	1.6
61.98837	3.4
69.03452	1.1
69.16426	1.5
69.16830	5.9
71.05035	1.2
81.03485	2.3
82.76649	0.9
83.01392	5.2
91.53163	0.8
93.03487	3.1
94.23483	0.9
95.01427	2.1
95.05051	2.7
97.02980	6.7
107.05072	1.2
109.02969	38.3
120.65630	0.8
121.02975	8.1
122.03761	3.3
123.00931	2.6
123.04540	17.8
124.01699	1.4
125.02467	14.9
129.85144	0.9
135.04547	3.5
137.02454	30.6
139.04016	14.1
145.02963	1.7
146.03777	2.2
147.04544	4.1
149.02448	21.3
150.03125	2.9
151.00363	2.9
151.04025	19.9
153.01944	2.7
154.02771	1.2
159.04523	3.5
161.02451	5.5
161.06070	5.3
162.03230	2.2
163.04021	5.0
164.01158	4.5
164.04893	1.1
165.01955	12.0
166.02635	1.1
167.03534	3.2
169.01447	2.5
173.02493	1.3
173.06079	1.6
174.03255	1.2
175.04021	4.1
176.01161	3.6
177.01933	5.0
177.05518	1.3
178.02681	3.1
179.03508	8.7
181.05019	1.5
187.03996	4.4
188.04816	2.6
189.02045	2.0
190.02737	4.9
191.03540	12.7
197.06071	3.1
202.06427	2.4
203.03572	2.1
203.07155	8.1
204.04318	2.4
205.05070	18.1
206.05795	3.0
213.05666	7.7
215.07140	43.8
216.07591	3.3
219.06665	2.1
221.08147	2.2
227.07138	2.0
233.08214	1.2
245.04491	1.1
245.08211	13.7
255.06607	2.2
255.57622	1.0
257.08249	14.1
270.98901	2.2
289.07199	63.0
290.07602	5.0
298.98254	2.5
299.99121	18.2
301.07205	100.0
302.07544	8.4
314.00717	2.0
315.01523	15.7
315.08820	1.3
357.13266	5.7
480.13135	1.5
569.25812	1.2
615.24225	1.2
659.21936	19.6
659.35785	1.8
660.21130	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	659.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73708	0.7
56.67036	0.8
59.01377	2.6
60.99326	4.5
69.20640	0.8
69.21264	5.2
71.01382	4.4
72.99309	0.8
73.02952	1.0
83.01395	0.9
85.02953	1.9
87.00916	1.2
88.98810	31.9
89.02439	0.9
95.01367	1.1
95.04999	0.9
97.02972	0.7
99.04559	0.9
101.02438	1.4
107.01395	4.0
108.02178	1.3
109.02949	4.8
111.00896	1.8
113.02468	2.2
116.74243	0.9
121.02974	0.9
121.15669	0.7
123.00903	11.7
123.04539	2.4
124.01695	1.2
125.02461	25.2
135.04544	1.3
137.02467	3.3
139.00377	3.7
139.04059	1.1
140.01160	1.9
141.01926	1.5
150.03192	0.8
151.00377	9.8
151.04001	2.3
152.01172	1.2
153.01955	2.3
161.06143	0.9
163.03970	1.0
165.01907	1.2
165.05650	1.4
168.00665	5.1
169.01433	32.1
170.01822	1.9
203.07088	2.2
205.05061	1.7
211.02507	17.1
213.09016	0.9
219.76924	0.7
221.08101	0.9
245.08171	2.2
271.04587	25.4
272.04889	1.8
281.06604	1.5
289.07208	10.2
313.05743	2.7
331.06754	4.8
479.20633	1.1
485.16751	4.9
569.22406	100.0
570.22803	15.1
613.72375	1.0
636.32849	0.8
659.21429	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	659.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71730	0.9
59.01379	100.0
60.01712	1.1
61.98818	4.4
69.03462	1.1
69.39817	3.8
69.40228	1.5
71.01372	3.1
79.63338	0.9
88.98781	3.3
89.02430	2.5
98.22466	2.0
101.02431	1.7
101.28432	1.0
107.01422	1.4
109.02963	1.9
111.00871	1.8
118.14252	0.9
120.99646	1.8
121.02927	0.9
123.04506	2.0
124.01614	1.1
125.02435	9.1
135.04562	1.1
137.02461	6.5
151.03981	3.1
161.02412	1.8
163.04001	1.9
165.01924	27.5
165.05554	1.2
169.01431	10.0
179.03484	13.1
180.04291	20.7
181.05055	2.9
190.31242	1.0
194.05867	10.8
195.06625	39.1
196.07169	2.8
207.01158	2.7
208.07428	1.9
209.08205	9.3
210.05385	6.4
211.02496	1.3
211.09793	1.4
220.47534	1.0
225.07678	79.9
226.08054	4.8
227.09203	2.0
271.04562	2.4
289.07202	2.8
313.05481	1.1
389.16095	3.0
414.31458	1.0
437.18182	24.8
438.18549	3.9
477.30661	1.0
503.15268	1.0
591.42291	1.3
654.31860	1.0
659.19293	10.1
660.20074	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	659.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89777	1.1
59.01385	100.0
71.01371	1.3
96.95990	1.4
98.21790	2.5
107.01382	2.3
109.02934	2.2
116.92863	1.9
123.00868	3.4
123.04488	1.4
125.02466	18.7
128.73224	1.2
137.02449	17.2
139.28395	1.0
151.00319	1.7
151.03984	2.2
152.04791	8.2
153.01950	1.2
161.02486	1.4
165.01952	14.7
167.03511	1.9
167.07137	1.7
168.00630	1.2
169.01436	17.5
177.02052	1.2
179.03546	8.5
180.04282	9.4
181.05054	2.4
184.03772	2.1
194.05783	6.2
195.03035	1.2
195.04834	1.7
195.06610	17.3
196.07436	2.6
197.04576	3.2
209.08226	3.7
210.05260	3.0
211.09796	3.3
212.06903	19.6
225.07700	20.0
227.09264	56.5
228.09575	3.5
289.07257	1.9
300.09973	2.9
313.05634	6.2
315.12479	3.8
327.12137	1.2
359.11322	4.2
374.13562	5.1
389.16129	28.7
390.16412	3.2
437.18158	49.4
438.18533	6.4
465.09250	1.5
558.83649	1.2
602.85388	1.1
629.18616	4.0
641.18781	3.7
659.19684	13.7
660.20074	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	659.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	1.8
59.01369	3.7
61.98837	4.2
65.81164	1.7
71.05022	5.0
71.28362	2.3
72.99319	1.6
73.02991	1.6
79.01897	3.7
83.01413	2.9
83.05033	2.1
86.23329	1.9
95.01418	2.3
95.05051	4.4
97.02969	7.8
97.06600	4.5
99.00901	2.6
102.24614	1.6
107.01424	2.1
108.02189	1.9
109.03012	2.4
109.06609	1.9
111.00867	8.8
111.04538	7.5
111.08139	3.3
113.02431	2.0
114.89237	2.0
115.92068	2.1
116.92863	3.5
121.02952	1.9
123.00887	16.6
123.04517	4.5
123.08182	3.5
124.01666	6.9
125.02463	19.1
125.09758	5.9
127.00432	3.2
135.04565	2.4
136.98851	3.2
137.02470	5.9
138.03294	2.5
139.00365	10.9
139.04028	38.0
140.01170	12.1
147.08177	2.2
151.04031	2.9
161.02385	1.8
163.04037	4.1
163.07635	1.6
165.09233	22.9
166.02731	1.9
166.99895	5.9
167.03511	1.8
168.00655	33.2
169.01451	41.3
170.01883	2.3
171.03030	2.5
171.10274	2.8
173.08153	2.2
179.07137	2.3
181.01468	2.3
181.08714	2.6
183.14003	2.6
187.09836	2.1
191.07234	3.0
195.06638	2.3
196.24545	1.8
197.11913	2.0
207.06610	11.7
209.08194	91.7
210.08542	4.5
211.02531	6.1
211.13420	6.1
270.03601	2.4
281.13864	2.3
286.65280	1.8
297.06329	2.4
299.09268	2.3
312.04901	19.2
313.05734	5.5
326.60263	1.8
329.23596	2.6
331.24850	2.8
347.24304	2.7
389.56482	1.6
407.17392	3.0
409.19028	2.1
432.49951	1.8
449.18265	17.9
450.19070	1.8
507.20782	2.8
511.58466	1.6
522.14050	18.7
523.14355	8.6
539.85107	1.6
589.22845	8.9
659.27203	100.0
659.38770	7.3
660.27435	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	659.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.7
58.94946	1.5
59.01385	79.5
60.99299	3.8
61.98821	5.0
69.03473	2.0
71.01384	21.7
72.99317	1.4
73.02955	8.7
73.03297	1.6
76.67805	1.7
83.01391	4.9
85.02956	9.6
87.00863	3.0
88.98813	17.0
89.02454	9.7
93.03467	13.5
95.01412	5.0
96.96002	2.5
97.02971	3.0
99.00890	3.3
99.04518	2.8
101.02459	14.9
108.02181	3.7
109.02960	5.8
111.00903	2.0
113.02463	11.9
119.03542	4.6
120.99658	1.8
121.02948	3.5
122.03775	8.1
123.00886	2.6
123.04544	6.1
124.01678	2.7
125.02464	20.5
128.73067	1.8
131.03551	1.8
133.02939	1.9
135.04530	3.0
136.01714	4.2
137.02455	39.3
138.03279	3.6
139.00462	2.6
145.02953	3.2
146.03810	1.9
149.02448	7.0
150.03265	8.5
151.00500	3.1
151.04027	7.3
152.04825	9.5
153.01947	5.0
153.05579	6.1
159.03018	1.8
161.02463	5.6
161.04535	3.0
164.04810	7.3
165.01985	6.0
165.05568	5.4
165.12793	2.1
167.03552	2.7
167.07164	5.5
168.00644	3.7
169.01433	10.0
179.03625	9.2
179.05589	1.8
179.07222	4.2
184.03780	2.6
191.49075	1.8
193.05124	3.6
194.05896	7.9
195.06599	1.7
205.05185	1.7
207.13940	3.5
209.08200	13.1
209.11952	5.6
212.06920	8.6
221.04611	2.1
225.15010	10.6
227.09401	19.3
227.12891	50.3
228.13278	4.0
269.14169	2.4
281.06943	2.4
289.07220	2.6
300.02765	2.1
313.05814	2.7
315.01263	2.5
315.05942	2.0
329.02890	1.7
329.10330	2.2
330.03357	1.9
341.08963	2.1
371.13409	18.8
375.13046	2.1
389.14380	10.4
431.15710	3.5
435.12878	3.4
463.16388	3.2
517.17395	2.6
566.14661	1.8
599.38092	2.4
611.21582	11.6
623.22009	6.6
641.28680	11.2
659.29242	100.0
660.29626	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09733	0.9
57.03439	3.5
59.01382	9.6
61.98823	3.5
62.27013	1.0
63.37943	0.9
66.53519	1.1
69.57695	1.0
69.63585	0.9
69.69463	4.0
71.01388	7.7
73.02928	1.5
81.03438	1.7
83.01406	1.8
83.05038	6.5
84.02168	1.7
84.88950	0.9
85.02953	2.4
87.00854	1.4
89.02451	4.2
93.03480	1.1
95.05005	1.9
96.96008	1.3
97.06598	5.6
98.21849	1.4
99.98334	0.9
101.02455	6.1
108.02184	2.2
109.03001	1.8
113.02461	3.4
116.92842	1.0
119.03487	1.4
123.00813	1.1
125.02479	2.1
125.09750	1.3
137.02452	1.9
145.05055	1.7
150.03204	1.6
151.04062	1.2
151.11301	18.9
163.04005	1.9
163.11290	4.0
165.12845	2.8
169.12355	100.0
170.12753	5.0
171.10332	1.6
172.64996	1.2
191.10692	1.5
195.10292	4.2
197.11804	1.1
209.11848	71.8
210.12082	6.0
211.13338	4.0
212.13820	1.8
213.11366	15.0
227.12892	9.3
235.08232	3.5
253.09383	5.8
285.12527	1.2
301.07281	1.1
331.15430	2.1
431.19354	3.8
449.20264	10.9
450.20679	1.2
496.36252	1.1
641.31824	3.0
659.32825	93.7
660.33173	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	659.3655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89987	0.4
56.08941	0.4
57.03400	0.9
59.01318	14.5
59.01638	1.2
60.99252	0.4
61.98780	1.8
61.99060	0.4
71.01382	3.6
71.04967	0.5
71.28374	0.6
73.02872	1.6
75.34091	0.4
83.04988	0.5
85.02885	1.3
87.00825	0.5
87.04459	1.2
88.98717	0.6
89.02389	1.9
93.03390	0.6
96.95974	0.5
97.02887	0.7
97.83691	0.4
101.02370	1.9
107.01273	0.5
108.02084	1.6
109.02908	0.9
113.02374	1.7
121.02940	0.8
123.00837	0.9
123.04420	1.4
125.02488	2.1
127.03966	0.8
135.04439	0.8
136.46294	0.5
137.02383	1.2
137.09703	0.6
139.11298	10.2
149.06067	0.5
150.06752	0.9
151.00325	0.7
151.03951	1.2
154.01459	0.6
155.10684	0.6
161.04546	0.6
163.04048	0.9
163.11168	0.4
165.01797	0.5
165.05469	0.6
167.03421	0.5
169.01324	1.5
169.12233	0.8
171.10223	0.9
179.03346	0.4
181.12355	2.6
181.94231	0.4
183.10266	12.4
185.11801	1.1
191.03465	1.7
199.01851	1.4
207.10263	0.6
209.11815	3.7
210.12106	0.7
213.11279	1.1
213.38145	0.5
225.11345	2.9
227.07062	1.6
227.12769	0.9
243.12262	0.7
253.05168	0.7
269.97983	3.0
271.06198	0.5
271.09619	0.5
285.00320	1.8
290.10721	0.4
297.97552	5.2
298.97977	1.1
312.99918	9.1
314.00153	1.3
315.05276	0.5
315.08563	2.0
328.02362	5.1
335.22305	0.8
341.10791	0.6
375.27429	0.8
391.26837	0.5
397.31314	0.5
415.32217	16.5
416.32596	3.3
417.32675	2.8
459.31180	100.0
460.31503	21.4
461.31815	18.0
462.32227	1.2
473.32864	1.0
496.37354	0.7
497.37640	1.7
501.32178	4.0
502.32108	0.7
503.32587	0.7
569.25867	0.9
621.36310	2.3
623.37482	0.7
641.35114	1.3
659.20294	6.7
659.35669	56.2
660.20587	1.7
660.36096	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	659.4746
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07147	0.5
55.47277	0.5
57.03445	1.9
59.01381	0.9
61.98839	0.8
69.00006	0.5
69.03465	0.8
71.28152	0.6
78.95912	0.9
83.05024	0.9
84.11386	0.5
87.04557	0.5
97.06605	1.4
99.00938	0.8
109.02899	0.5
111.08175	0.5
116.92845	0.9
122.76513	0.4
123.08151	0.7
125.02456	1.6
125.09742	4.7
127.11313	3.1
137.09708	0.6
139.03979	0.7
139.11295	1.5
142.97711	0.4
143.10770	1.0
153.12920	0.5
155.10793	1.2
157.12352	0.7
159.10262	0.6
169.01456	0.7
171.10286	2.3
173.11931	0.7
179.07170	0.5
181.08734	1.8
183.06625	0.7
187.02557	0.7
187.09795	1.1
195.06630	0.7
201.11377	1.2
203.09203	0.5
209.08253	1.9
209.11803	0.5
223.06105	0.6
233.15753	0.5
239.09355	0.6
247.09810	0.5
247.20660	10.4
247.23027	0.6
248.21062	0.9
263.20154	0.6
265.21722	9.1
273.18649	0.8
283.22925	1.2
291.19696	4.3
292.19931	0.5
295.22931	0.8
301.23923	1.0
309.20740	12.4
310.21033	1.1
311.22229	0.7
311.71176	0.5
313.23840	3.7
327.21790	16.9
328.22220	1.8
329.23584	1.3
331.24918	19.8
332.25256	1.7
345.22864	15.7
346.23367	1.5
347.24393	0.6
391.17819	0.5
423.20230	0.6
554.08942	0.5
641.46582	1.2
659.47461	100.0
660.47821	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	660.4124
Annotation	Pavoninin 1
Peak:m/z	Relative Intensity
51.34589	0.2
54.84546	0.2
57.03442	0.9
57.52005	0.2
59.01379	0.6
61.98816	0.6
66.46793	0.2
69.03448	0.6
71.01386	0.3
71.05032	0.2
83.32848	0.2
85.02933	0.2
86.01358	0.2
89.02452	0.2
105.37289	0.2
108.02172	0.5
121.02973	0.3
123.00845	0.2
123.04535	0.4
125.02459	0.5
134.03697	0.2
135.04555	0.2
137.02493	0.4
139.04030	0.3
149.02477	0.2
163.04002	0.2
165.01923	0.2
165.05586	0.2
167.03540	0.2
168.00638	0.2
169.01436	0.2
169.12328	0.5
171.10307	0.4
177.02043	0.2
183.66937	0.2
184.48601	0.2
191.03497	0.4
195.06644	0.2
202.07253	0.2
209.11867	0.7
210.12172	0.3
239.11821	0.4
240.12335	0.2
241.09840	2.1
242.10138	1.8
256.12231	1.4
257.12476	0.8
299.05481	0.4
301.11459	0.3
315.08850	0.5
315.13535	3.0
316.13882	3.0
413.34238	1.5
414.34637	0.3
457.33264	100.0
458.33603	15.7
458.40305	0.3
484.00113	0.2
555.60089	0.2
597.19299	0.2
660.33459	0.6
661.22046	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92757	0.7
57.03446	1.6
59.01388	0.8
61.98826	2.3
68.99834	1.0
69.03458	2.1
69.12050	3.5
69.12476	3.0
71.01377	3.0
79.82751	0.8
81.03468	3.2
83.01402	1.2
85.02928	0.8
87.00867	1.1
88.29329	0.8
93.03476	2.1
95.01397	2.4
96.95987	1.3
97.02950	3.1
101.02467	1.6
107.01392	9.3
109.02966	2.8
109.06599	1.3
111.00864	2.7
111.04530	4.6
113.02425	1.5
116.92853	2.4
119.05058	1.2
120.99697	1.0
121.02964	1.8
123.00905	6.8
123.04491	1.4
124.01652	2.5
125.02458	89.9
126.02813	2.1
136.98810	1.1
137.02448	5.8
138.03232	1.4
139.00392	3.4
139.04018	2.0
140.01158	2.5
143.03488	2.3
145.11407	0.8
149.02460	1.8
151.00380	3.6
151.07651	18.7
152.01083	0.9
153.01897	1.7
153.05588	2.8
161.02408	1.6
163.04022	2.5
165.01933	4.7
165.05647	1.9
168.00642	3.5
168.04291	2.3
169.01436	88.5
170.01822	2.7
176.01131	1.7
177.02043	1.9
177.05562	1.7
179.03479	1.9
180.04271	1.7
181.01483	0.9
181.05042	0.9
191.03366	2.2
192.04333	2.3
193.01379	3.9
193.05043	1.7
195.06633	37.2
196.07094	1.5
205.05150	1.1
207.02991	1.7
207.06642	3.5
208.03749	2.4
211.02492	3.7
223.06122	5.6
228.57356	0.9
237.07880	0.9
241.03624	1.4
271.04349	1.1
287.09387	1.1
289.07275	1.8
295.04648	3.3
304.27249	1.0
313.05646	26.2
314.05939	1.0
449.14758	1.9
465.06793	15.1
466.07278	1.3
494.19006	1.1
509.13052	2.8
590.05292	1.0
661.14063	100.0
662.14441	15.3
664.75256	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.9
57.47081	0.9
59.01384	5.4
61.98826	4.3
65.00308	1.3
67.01875	1.1
69.03457	1.6
71.01384	4.7
72.99300	1.1
73.02950	1.5
81.03455	5.5
83.01397	2.6
85.02950	2.3
87.00895	1.2
89.02453	1.4
95.01399	2.2
96.96056	1.1
97.02969	1.8
97.71217	0.9
98.22520	2.6
101.02461	2.7
107.01394	6.8
109.06612	1.9
110.77100	1.0
111.00873	2.1
111.04550	4.0
113.02445	2.1
121.02934	2.4
122.06127	2.5
123.00887	6.5
123.04531	1.0
124.01675	1.6
125.02457	76.0
126.02782	1.8
127.04012	1.3
127.07677	1.4
136.98817	1.0
137.02448	2.6
139.00359	1.7
139.03976	1.2
140.01146	2.3
143.03506	1.8
151.00381	2.8
151.04024	1.1
151.07660	31.4
152.08046	1.6
153.01973	1.1
153.05559	1.0
158.47878	1.2
161.02415	2.1
161.04512	1.6
167.03477	1.6
168.00656	3.3
169.01442	67.7
170.01836	2.8
171.10214	1.3
177.05566	1.1
179.06967	1.2
180.06569	1.0
193.01437	1.7
193.05142	1.2
195.06638	57.5
196.06960	2.2
197.11794	1.9
201.11389	1.5
209.11871	1.6
211.02541	2.8
219.06630	1.8
237.07654	1.3
239.11902	2.1
251.11971	1.5
253.03528	1.5
257.04669	1.0
261.07733	1.3
279.11469	2.2
285.12500	3.9
291.07626	1.2
292.08630	2.0
293.09198	1.4
295.04688	1.8
298.97934	1.3
299.98251	1.1
306.10190	1.2
307.10916	6.4
308.11569	1.3
313.05640	16.8
329.02957	1.5
350.09009	2.4
351.09894	6.6
351.13446	1.2
370.15973	1.0
373.25836	1.4
398.15506	1.7
430.17822	1.6
445.16562	3.0
447.17621	1.1
465.06525	9.6
492.18073	1.7
506.19107	7.3
509.13147	4.8
535.23206	1.2
538.22003	14.2
539.22693	1.3
553.24359	4.3
597.23700	2.4
607.40936	1.2
611.24286	1.1
626.57959	1.0
629.25970	6.6
660.36365	2.0
661.14032	100.0
661.37598	2.8
662.14288	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	661.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	4.5
61.98833	7.4
63.88197	1.3
70.32584	3.2
71.01389	3.9
77.07192	1.3
79.95747	2.2
81.03473	2.3
83.01357	1.3
85.02938	2.7
88.98814	1.8
92.77480	1.3
93.03460	4.4
95.01377	4.2
97.02927	2.5
101.02457	2.5
107.01388	4.7
108.02183	65.7
109.02975	51.9
110.03309	2.3
111.00911	2.2
113.02470	2.0
121.02960	19.0
122.03756	5.0
123.00884	6.0
123.04563	11.6
125.02467	25.2
126.02759	1.4
133.02980	2.7
135.00856	1.9
135.04562	2.1
137.02457	4.4
139.04022	2.2
149.02435	9.0
150.03238	23.6
151.00378	5.2
151.04027	13.0
152.01167	61.6
153.01947	46.6
154.02312	2.2
162.03247	2.1
163.04042	4.1
164.04761	2.0
165.01921	7.4
165.05582	15.1
166.02693	4.1
167.03520	18.7
169.01457	21.6
173.02448	1.6
177.01909	2.6
180.04268	3.2
180.07886	3.5
181.01402	3.8
181.05083	7.0
181.08650	2.0
192.30241	1.3
193.01401	2.0
193.08731	1.7
195.02979	2.2
195.06557	4.1
201.01869	1.8
209.04623	8.1
209.08170	2.1
211.02414	2.0
225.07664	2.7
226.07983	2.1
229.01454	2.5
256.07431	2.4
258.01608	2.0
271.04782	2.1
271.09875	2.2
274.08319	1.3
275.01968	6.4
278.91910	1.4
296.05637	1.6
297.06274	3.2
300.99945	21.8
302.00281	2.0
311.07751	7.2
313.05707	6.4
317.13931	5.5
329.13818	2.2
341.08679	1.8
347.15036	10.0
348.15497	1.4
421.11359	3.1
463.09753	1.6
464.09402	10.1
465.10519	7.0
479.11993	3.1
563.46332	1.6
613.15735	2.5
643.16632	4.7
661.17987	100.0
662.18219	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	661.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
61.30215	1.1
63.20743	1.1
63.61195	1.2
76.09082	1.1
85.84469	1.2
93.03475	4.3
96.96006	1.9
97.46455	1.0
100.51532	1.1
102.86636	1.2
108.02184	62.2
109.03003	12.2
119.04993	1.1
121.02958	1.2
121.82835	1.2
123.04574	1.5
125.02448	2.0
151.03976	2.2
152.01167	53.0
153.01970	26.8
163.04074	2.0
165.01915	1.5
169.01459	1.9
191.05577	2.3
285.06186	100.0
286.06543	6.4
289.07248	2.8
375.09265	1.4
661.19293	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	661.2142
Annotation	BK 223B
Peak:m/z	Relative Intensity
59.01367	1.6
61.98826	4.2
71.01385	4.4
85.02924	1.5
90.57736	1.3
101.02438	2.9
107.01383	7.3
108.02194	1.6
109.02969	3.5
111.00908	1.7
121.03012	3.7
122.03754	9.8
123.00900	8.5
123.04526	5.8
124.01685	2.3
125.02464	49.8
135.04572	3.7
136.01730	2.4
137.02475	3.9
139.00378	5.0
139.01338	1.4
139.04123	1.7
140.01180	2.3
147.04515	2.9
149.06160	1.7
151.00351	6.1
151.04019	2.6
153.01924	2.4
153.05606	2.5
161.06123	2.3
165.05595	10.7
167.03590	1.6
168.00645	4.6
169.01445	62.5
170.01791	2.5
175.04028	1.4
178.48126	1.2
179.07195	3.2
180.07985	5.6
181.01445	1.7
181.08696	2.6
183.02974	2.0
193.08760	3.0
194.50809	1.6
196.03777	1.2
197.04568	6.1
199.80374	1.3
211.02518	4.2
213.05608	4.0
241.05132	12.2
256.07486	9.4
271.04913	1.4
271.09738	13.7
275.02179	3.0
300.99951	8.5
311.07520	1.7
313.05661	38.1
314.05927	2.4
314.11545	1.4
317.13855	7.3
319.11761	1.6
326.06491	2.7
329.14154	6.9
333.13510	3.4
341.08804	23.7
347.15015	48.5
348.15497	4.4
465.06888	1.6
509.20392	5.4
645.44031	1.5
648.61084	1.4
661.21423	100.0
662.21686	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	661.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	7.7
61.98827	3.5
69.19846	10.3
69.20275	8.3
81.03440	3.7
92.66338	2.7
96.91761	2.6
107.01447	3.1
107.03777	3.8
110.06154	7.3
111.04530	6.5
122.06131	41.2
125.02461	29.7
134.06149	11.8
135.53490	2.8
136.01726	4.6
144.04568	4.0
151.04027	6.3
151.07664	6.1
160.06464	4.0
161.04762	2.5
169.01460	39.5
174.05615	7.6
180.06660	7.2
188.07204	4.6
195.06638	14.6
213.10323	23.0
220.84438	2.9
226.11290	2.9
237.10365	4.4
239.11919	28.7
241.13510	19.6
251.08339	5.4
251.11865	8.4
263.08243	5.5
264.09134	13.3
265.09790	11.2
267.11325	4.9
277.09796	4.1
278.07172	2.8
278.10550	4.0
279.11365	19.1
281.09561	4.6
283.10846	3.9
285.12454	72.7
286.12918	4.7
289.09796	2.8
291.08112	4.9
291.11478	10.8
292.08566	12.0
293.09326	8.6
293.13028	8.1
301.12054	7.3
306.10242	8.5
307.10895	53.5
308.11411	17.2
311.10519	5.2
313.05630	3.2
335.10312	3.1
340.10782	8.3
350.09119	11.8
351.09854	36.9
352.10529	4.3
356.14188	6.1
365.11469	4.2
369.15021	4.3
370.15521	13.1
371.16205	3.2
372.17288	3.5
383.12448	4.0
384.13400	4.8
398.15085	14.8
403.15421	4.5
412.16650	10.6
413.17462	11.9
414.18130	2.8
428.16098	3.3
430.17856	10.6
447.17834	3.2
448.18887	8.7
457.16391	4.4
462.20557	3.7
465.06647	4.2
474.16638	5.5
492.18130	12.7
493.22766	5.6
506.19250	37.6
507.19635	6.1
509.13129	4.5
511.23328	9.2
524.20270	5.3
535.23431	20.5
538.21918	64.1
539.22339	10.7
553.24658	67.8
554.24817	10.4
579.22260	5.2
585.27277	9.8
597.23547	55.4
598.23859	10.5
611.24786	6.8
629.26190	100.0
629.36719	4.9
630.26642	19.9
661.14514	20.2
661.28748	30.0
662.15033	3.2
662.28741	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	661.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65004	0.9
57.03445	4.6
69.03480	1.2
69.23695	6.8
71.01381	1.4
73.02959	4.7
74.50848	1.2
75.00871	4.5
76.54089	1.0
78.95908	2.8
83.04990	1.3
85.06587	1.8
87.04525	8.9
95.05037	1.4
97.06596	3.8
98.21783	2.2
99.00887	29.6
99.08186	1.7
101.06093	3.5
107.05048	1.0
109.02940	1.3
109.06609	1.4
111.04527	3.1
112.70357	1.0
113.09724	13.0
115.07692	1.6
125.06104	6.7
127.07673	1.6
139.07674	3.9
141.05525	1.9
151.03978	2.2
152.99614	1.8
153.09230	5.5
155.07103	2.8
157.08736	1.8
158.04224	1.3
160.01643	1.4
165.09148	1.0
166.06400	2.0
169.05072	26.7
175.04076	1.5
181.08719	100.0
182.02232	1.7
182.09064	3.3
183.06638	61.9
184.07069	1.9
208.07523	1.0
209.08151	2.6
214.57866	1.3
214.78293	1.0
236.24922	1.1
237.11377	6.0
238.08475	3.4
239.09317	1.4
241.14479	10.5
263.12701	1.4
293.13953	1.8
321.13547	1.1
323.15057	6.5
341.16122	1.7
367.21255	1.3
407.21021	1.4
411.20273	30.6
412.20493	2.0
425.21878	80.3
426.22128	7.1
479.26529	3.5
598.37439	1.1
643.34631	1.2
661.36700	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	661.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	7.1
58.74013	1.6
61.44772	1.4
61.98824	9.0
63.78351	1.5
68.99790	2.0
69.58845	7.2
71.01369	1.8
71.05009	3.1
73.02937	4.9
75.00879	4.4
78.95901	4.1
83.05040	1.9
83.13110	1.6
85.02943	2.0
87.04523	11.4
97.06599	1.6
98.21866	2.9
99.00898	10.8
99.08141	4.9
101.06107	5.0
107.05048	1.6
109.02982	2.3
109.06615	7.8
111.04533	3.1
111.08137	2.4
113.01016	1.7
113.09745	6.4
122.03798	1.6
125.06093	66.4
126.06454	1.7
127.07687	6.3
139.07663	5.9
141.84337	1.7
149.09708	2.9
153.09236	10.2
155.07193	15.3
157.08643	2.3
167.07190	2.1
170.59787	1.7
179.07095	1.9
181.07149	2.1
181.08720	38.7
182.09122	2.9
183.06635	100.0
184.06914	3.2
207.10179	2.3
209.08218	8.1
238.08427	2.2
241.14429	18.9
249.15164	7.3
265.14694	2.1
275.12985	2.4
281.46780	1.4
289.13947	1.5
293.13980	17.4
301.17938	1.6
323.14951	3.4
363.21741	3.7
367.21216	14.4
379.21268	2.5
397.22214	7.5
399.14453	2.4
407.20642	7.6
411.20135	3.4
419.21051	2.0
425.21970	54.2
426.22040	5.5
479.16754	2.3
479.26114	2.7
491.29797	2.8
535.28979	5.5
599.35510	2.6
643.35034	59.7
644.35388	8.3
649.23798	1.8
661.24774	2.8
661.36072	47.7
662.36426	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	661.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42004	0.3
59.01386	0.5
61.98831	2.6
63.73715	0.4
69.40451	1.6
69.40861	0.9
83.05018	0.4
89.03983	1.2
95.05049	0.9
105.03489	1.9
105.18614	0.4
117.03464	4.3
132.02185	6.4
133.02977	12.5
134.03752	58.9
135.03194	0.4
135.03958	1.9
136.01634	0.9
137.02446	0.8
145.02985	1.1
149.06107	7.1
160.01677	32.1
161.02470	3.3
163.04196	0.5
169.05157	0.4
175.04021	41.6
176.04317	2.1
177.01932	3.2
178.02777	0.8
179.03503	0.7
181.08714	1.3
183.17093	0.4
193.05080	46.5
194.05383	2.2
269.56360	0.4
278.09616	0.4
323.15054	0.5
391.26508	2.9
392.26770	0.4
405.27975	1.6
407.29752	0.4
409.18948	0.4
411.20251	0.7
421.31149	28.6
422.31622	4.0
467.31659	0.9
509.65979	0.4
585.32080	0.5
600.34454	3.3
601.35132	1.3
602.36249	1.2
615.36908	19.0
616.37225	4.7
617.38464	23.0
618.38837	5.7
661.37488	100.0
662.37823	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50048	0.6
61.98833	1.9
70.96978	0.7
71.28017	0.7
71.28403	0.8
85.67748	0.6
87.78658	0.6
89.03970	1.2
94.18904	0.7
104.08320	0.6
105.03491	1.3
107.61460	0.7
117.03497	4.9
125.96944	0.7
132.02194	7.2
133.02979	13.9
134.03755	59.8
135.04132	2.1
137.02425	1.1
137.60793	0.8
149.06085	7.4
153.05655	0.8
160.01669	31.5
161.02383	3.5
175.04012	41.3
176.04350	1.3
177.01955	3.1
178.02681	0.9
179.03477	0.9
181.08768	1.4
193.05066	50.0
194.05417	2.4
217.20213	0.8
224.52544	0.7
300.96613	0.7
316.73715	0.8
391.26480	2.9
405.27924	1.7
411.20374	0.9
421.31137	30.2
421.36844	1.5
422.31488	5.0
600.34589	3.2
601.35254	2.4
602.36407	1.5
615.36951	22.2
616.37415	4.8
617.38458	21.8
618.38599	5.6
661.37500	100.0
662.37799	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43431	0.4
61.98832	1.1
69.17908	3.5
76.31988	0.5
108.10944	0.6
117.03417	0.8
119.04990	0.6
132.02182	17.8
133.02985	10.7
134.03767	7.7
135.04491	0.7
145.02924	0.7
147.04507	0.6
149.06078	1.1
152.71793	0.5
160.01671	85.1
161.02075	4.3
175.04016	88.2
176.04340	4.4
177.01970	2.4
179.03517	0.7
179.42114	0.5
181.08702	1.7
183.49118	0.6
190.38512	0.5
193.05011	5.3
194.05608	0.8
222.83148	0.5
258.76019	0.5
371.45908	0.5
453.29880	0.7
465.30435	0.6
467.31805	0.6
646.35681	1.1
661.37512	100.0
662.37830	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	661.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25483	0.7
61.98820	1.7
69.02489	1.9
69.02892	4.7
76.00986	0.7
83.94904	0.7
87.04507	2.2
95.05020	1.0
105.03447	1.3
111.04549	1.1
113.09712	1.5
132.02179	15.4
133.02991	9.0
134.03760	7.8
135.04498	1.4
145.02997	0.7
149.06099	1.3
151.03879	0.7
153.05559	0.8
160.01671	80.0
161.02180	4.2
175.04012	100.0
176.04417	4.3
177.01935	1.9
178.02620	1.2
179.03438	1.5
181.08731	11.1
182.09155	0.8
193.05063	6.3
223.13332	0.9
425.18204	3.3
453.30054	1.2
467.31531	1.2
646.35217	1.0
651.36285	0.8
661.37524	99.8
662.37860	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	661.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15221	0.7
61.98831	2.7
69.09325	6.7
73.02940	0.8
77.95222	0.7
78.95929	0.9
92.92807	2.3
96.19259	0.8
100.92650	0.8
105.03480	1.1
117.03489	1.7
119.05070	1.1
132.02185	15.7
133.02966	10.3
134.03748	21.3
134.04736	1.3
135.04544	3.3
137.02478	0.9
145.02989	2.1
147.04507	1.5
149.06161	2.9
151.04034	1.1
160.01668	78.2
161.02426	6.8
175.04015	95.4
176.04373	4.9
177.01961	2.3
179.03516	2.2
193.05074	24.2
193.06770	1.3
194.05428	1.6
392.49091	0.8
407.29700	0.9
461.28326	1.0
485.32587	1.6
547.27667	0.9
580.06677	0.9
602.35889	1.3
617.38489	100.0
618.38800	20.5
633.82660	0.9
645.14880	0.9
646.35248	0.9
661.37585	27.8
662.37653	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28786	0.7
57.03438	1.8
66.30961	0.7
66.67390	0.5
68.98235	2.9
68.98664	2.6
75.51310	0.6
94.76743	0.6
98.18669	0.6
109.06636	0.7
111.04503	1.2
113.09734	9.9
123.08128	2.2
124.01653	1.3
125.06062	4.2
130.97816	0.6
152.01154	2.3
154.02063	0.7
165.09227	1.0
166.06371	1.7
181.08713	100.0
182.09106	4.9
207.06693	1.8
208.07382	2.0
209.08167	2.3
221.08177	2.0
222.08806	0.9
233.08211	1.5
240.33192	0.8
247.09703	0.7
286.12186	1.1
313.18039	0.8
341.17654	0.8
381.24811	1.0
384.25174	0.6
407.22232	3.7
411.21823	2.3
415.17474	0.6
425.23334	80.1
426.23654	9.8
479.28323	1.6
661.37469	32.9
662.37744	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	661.3764
Annotation	Yungensin E
Peak:m/z	Relative Intensity
54.91327	0.5
59.01369	2.1
61.09151	0.5
61.98829	1.2
66.73479	0.6
69.07745	4.0
69.08150	1.2
75.94254	0.6
87.04468	0.7
91.90044	0.6
93.03472	2.2
104.02686	1.0
108.02248	0.9
113.09711	0.6
121.02084	0.6
121.02968	14.8
132.02184	23.9
133.03009	3.2
134.03700	0.9
145.02934	1.3
147.04532	31.5
148.01688	2.1
148.04874	1.5
149.02472	3.8
150.03264	4.9
151.04019	1.7
160.27289	0.6
165.02112	0.7
165.05565	3.5
175.04012	0.9
176.01140	7.5
177.01936	1.7
181.08736	2.8
191.03531	14.1
217.00330	1.4
239.09084	0.8
411.20450	1.2
425.21841	1.7
435.32260	0.7
436.21976	0.6
437.30499	0.8
451.32211	2.2
469.33322	2.7
470.33643	0.7
474.29803	0.6
587.34344	0.8
602.36237	0.7
611.60236	0.8
646.35358	2.3
661.37512	100.0
662.37860	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	662.3914
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48593	0.6
57.03443	1.0
59.01360	1.4
61.98811	1.5
71.01363	0.6
71.28247	0.7
76.30975	0.5
101.02468	1.0
113.02368	0.6
119.03500	0.7
123.04586	0.7
125.02464	0.7
133.02969	1.1
153.01871	0.9
157.85701	0.6
161.02480	3.9
161.09627	0.5
171.10313	0.7
191.03467	1.0
273.16885	0.9
316.09378	0.8
413.34344	1.5
429.86243	0.6
457.33267	100.0
458.33618	15.1
501.32208	4.2
550.91199	0.6
619.36890	3.4
662.21985	0.7
662.38794	2.6
663.36249	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	663.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92327	0.4
56.63880	0.5
57.03434	0.6
59.01379	0.9
61.98841	2.7
67.01904	0.7
67.90901	0.4
69.03477	2.7
71.01385	1.5
71.29504	0.5
79.01904	1.0
80.83454	0.4
81.03465	1.1
83.01385	1.1
85.02979	0.5
94.11449	0.4
95.01407	2.1
96.96025	0.6
97.02946	2.5
101.02454	0.9
105.03478	0.5
107.01398	9.9
108.02235	0.5
109.02972	0.9
111.00903	2.3
115.47318	0.5
121.02953	0.5
123.00893	7.6
123.04535	0.6
124.01658	1.9
125.02457	93.2
126.02802	2.4
126.69761	0.5
127.00370	1.7
135.04494	0.7
136.01665	0.6
136.98836	1.6
137.02454	1.9
138.03229	1.1
139.00375	4.0
139.03998	2.0
140.01175	2.5
141.01924	0.7
149.02391	0.8
151.00369	2.8
151.03949	0.7
153.01938	1.3
153.05571	6.3
154.02655	1.0
161.02455	1.9
165.01942	1.2
165.05534	0.6
166.02693	0.6
166.99879	1.7
167.03535	1.5
168.00674	4.1
169.01437	100.0
170.01772	4.0
177.01968	2.0
179.03505	1.3
181.01419	2.4
182.02237	3.6
183.03008	4.0
185.99286	0.5
192.09546	0.5
193.01445	1.6
196.03778	0.6
197.04562	10.8
198.04919	0.7
203.03403	0.7
207.03024	0.6
211.02486	3.1
217.01422	0.6
223.02519	0.5
224.03270	1.1
239.05646	1.7
241.90111	0.5
253.03543	0.5
295.04700	0.6
301.00214	0.5
313.05728	1.3
321.06119	0.9
331.08374	1.1
349.05331	0.7
451.08859	1.6
478.07855	0.5
493.09909	25.3
494.10013	2.6
511.11218	3.2
513.36627	0.5
663.11993	50.5
664.12451	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	663.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43781	0.5
52.68210	0.4
55.01877	0.5
57.79866	0.4
59.01388	3.3
66.64011	0.5
67.01904	1.0
68.99803	0.5
69.28706	2.8
71.01380	4.7
72.99297	0.6
73.02950	1.4
74.47436	0.4
79.01910	1.3
81.57885	0.4
83.01398	1.1
83.38206	0.4
85.02964	1.7
86.14544	0.4
87.00906	0.5
89.02473	0.9
95.01389	2.9
97.02962	1.2
101.02451	3.0
102.98567	0.5
107.00731	0.8
107.01400	6.4
109.02991	0.7
111.00909	1.9
113.02468	1.4
120.99744	0.4
121.02966	0.6
123.00905	14.5
123.04591	0.6
124.01715	0.8
125.02460	22.4
127.00384	1.0
136.98810	0.8
137.02437	0.7
139.00409	4.5
140.01176	3.0
141.01949	2.1
149.02538	0.5
151.00385	9.9
153.01924	0.8
161.02458	0.4
163.04070	0.8
167.03616	0.7
168.00673	3.4
169.01443	29.5
170.01778	1.2
179.03477	0.6
180.59035	0.4
205.05095	0.5
211.02493	5.2
223.02328	0.5
233.04637	0.8
253.03592	0.5
271.04575	7.3
283.04984	0.7
289.07248	1.1
300.99832	1.2
313.05692	2.4
373.07751	5.6
386.24615	0.4
528.77289	0.4
640.17175	0.5
663.25116	100.0
664.14240	1.0
664.25397	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	663.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	8.8
61.98833	14.5
69.00336	5.9
69.00738	13.8
72.92442	2.5
81.27927	2.5
86.26224	2.7
92.33920	2.1
93.03474	2.4
94.02995	3.9
96.96015	13.6
107.01369	2.2
109.02971	3.2
110.06118	3.3
111.00867	4.7
122.06121	13.9
123.00908	2.2
124.04041	6.7
125.02452	18.6
136.04076	3.8
137.02467	5.2
138.05641	3.1
139.04039	3.4
140.01169	2.1
150.05640	5.3
152.02277	2.2
153.01930	2.7
161.02481	2.8
161.04749	2.1
167.03522	2.4
168.00684	4.0
168.06677	3.2
169.01408	11.9
174.05602	2.5
175.05199	3.0
177.01962	3.7
178.99887	3.0
193.01535	2.6
193.03848	3.0
201.10321	15.2
207.88199	2.2
213.10324	6.5
215.11903	3.3
223.08511	2.4
227.11908	6.2
229.09818	19.6
229.13495	8.1
239.11848	10.4
241.10020	3.0
247.10788	2.8
249.20804	2.3
252.90498	2.1
255.11398	5.0
257.12997	5.6
267.11087	3.5
273.12482	5.8
275.02112	2.9
283.10440	3.1
289.11996	7.2
291.11334	2.3
300.99808	16.0
301.11951	29.9
302.00122	2.3
305.06512	3.4
319.12991	100.0
320.13324	7.4
327.13504	6.2
337.02414	6.2
340.12067	2.3
343.12918	4.5
344.14090	2.9
372.13568	6.3
386.15207	8.0
387.08798	2.5
388.16614	3.9
403.15384	4.3
404.16040	13.0
414.14490	4.4
419.15170	2.7
428.16098	3.2
432.15558	4.4
437.16028	6.2
446.17487	4.0
447.17963	3.3
527.23126	8.7
545.24255	20.9
569.24158	14.4
587.25183	55.8
588.25323	7.8
590.24042	3.6
601.22528	2.6
613.22870	7.0
631.24152	81.1
632.24695	15.6
645.25848	5.1
663.15607	7.2
663.26978	48.1
664.15826	2.7
664.26843	7.1
678.53253	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	663.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81355	1.0
57.03447	0.9
61.16639	1.0
67.22224	1.1
74.70586	0.9
88.59811	1.0
89.23338	0.9
98.22546	2.5
107.74615	0.9
113.09728	5.0
133.06526	1.3
134.06824	1.1
179.07187	4.1
181.08728	26.2
182.09094	1.4
210.59195	1.1
228.71437	1.1
238.55974	1.0
271.06271	1.1
285.07755	5.4
340.09836	1.2
343.15485	2.3
355.11874	64.5
356.12146	6.1
357.17123	13.1
358.17816	1.1
369.13428	7.2
370.14096	1.1
403.98132	1.0
409.16599	5.5
412.37326	1.0
413.19595	13.7
414.19739	1.1
423.18286	3.5
427.21283	100.0
428.21649	12.6
474.84555	1.0
481.25909	16.2
482.26538	1.5
663.35425	57.7
664.35834	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	663.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13106	0.6
61.98845	3.7
63.74804	0.6
79.59142	0.6
86.40923	0.6
93.03461	1.1
95.01391	7.3
96.96040	1.5
98.22543	1.3
98.23292	0.6
107.01395	15.2
109.02961	1.2
111.00894	0.9
123.00898	5.9
124.01663	2.4
133.02975	4.3
135.00888	3.0
135.04530	2.7
137.02469	1.1
141.01974	0.7
141.36311	0.7
145.02997	0.8
149.02480	0.6
151.00381	70.6
152.01028	3.3
161.02464	3.1
163.00386	43.4
164.00809	2.0
165.01949	1.4
169.01433	3.4
172.76520	0.7
177.01865	1.3
178.99869	26.6
179.03473	2.7
180.00203	1.3
201.32332	0.6
206.99355	100.0
207.99693	5.4
243.27649	0.6
453.33856	0.7
598.94580	0.6
619.36505	2.5
645.87360	0.6
663.35394	94.8
664.35645	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	663.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14068	0.8
57.01830	0.7
59.01397	0.7
61.98815	2.2
69.08648	4.3
69.09061	1.5
93.03482	0.8
95.96152	0.9
96.96008	2.5
100.80183	0.9
117.03460	5.4
119.05027	4.1
121.02955	1.3
123.04522	0.8
132.02193	1.0
133.02968	20.3
134.03728	3.3
135.04546	13.2
137.02440	2.9
139.04045	0.9
145.02977	11.1
149.02440	1.4
160.01657	2.3
160.03084	0.6
160.84193	0.8
161.02460	64.8
162.02766	1.8
163.04031	6.9
175.04022	1.8
177.01909	2.6
179.03519	7.5
455.31427	1.5
463.66531	0.8
513.92810	0.8
587.37494	2.4
601.35199	2.9
617.34680	2.0
619.36365	9.4
620.36176	1.4
663.35388	100.0
664.35724	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	663.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41966	0.8
61.98824	2.4
64.54268	0.7
65.01969	0.7
69.09737	2.3
69.10152	3.1
69.32756	0.7
81.30656	0.9
96.96016	1.9
98.22641	1.4
117.03500	5.7
119.05034	4.4
121.02906	0.9
123.04501	0.9
132.02159	1.4
133.01962	1.0
133.02977	20.9
134.03737	3.2
135.04550	12.4
137.02464	3.1
139.03990	1.3
145.02966	15.0
149.02437	1.3
160.01639	2.2
161.02461	54.6
162.02876	1.9
163.04031	8.1
175.04015	2.9
177.01967	3.4
178.02551	1.0
179.03519	8.4
204.77405	0.8
206.99461	0.9
214.79123	0.7
455.31512	1.0
587.37177	3.4
601.35529	3.8
617.35144	1.2
619.36407	9.8
620.37158	1.8
645.33844	1.3
655.26953	0.9
663.35474	100.0
664.24304	1.3
664.35706	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	663.3751
Annotation	Caloxanthin sulfate
Peak:m/z	Relative Intensity
50.39849	0.3
55.01888	0.5
56.83862	0.2
57.03439	0.5
58.00588	0.9
59.01383	16.0
60.99304	0.5
61.98835	3.6
69.10747	0.6
69.11156	1.2
71.01387	9.1
72.99318	1.3
73.02962	0.4
83.01398	0.6
85.02960	2.2
87.00874	0.4
89.02449	6.3
90.74522	0.2
91.45010	0.3
95.01414	0.6
101.02454	5.9
108.02135	0.3
113.02453	2.8
116.92849	0.5
119.03506	2.2
123.04539	0.2
124.01794	0.3
125.02458	1.1
137.02489	0.6
139.78435	0.3
151.04031	0.3
161.02437	0.3
161.04520	0.3
163.03990	0.4
165.01884	0.3
169.01466	0.4
175.07687	0.5
194.63947	0.3
209.11919	0.5
219.13977	0.3
235.17105	1.0
289.20889	0.3
291.15973	0.3
291.37708	0.3
311.23959	0.3
339.25415	0.5
357.26389	0.5
359.55392	0.3
373.25662	0.3
379.29984	0.6
391.30124	0.8
393.31613	1.2
395.33575	0.4
439.32153	0.9
455.31665	4.5
456.31918	0.9
457.33362	4.9
458.33621	0.7
483.31335	0.7
501.32291	4.7
502.32602	0.8
543.33258	0.3
663.37531	100.0
664.37854	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3755
Annotation	Caloxanthin sulfate
Peak:m/z	Relative Intensity
50.97778	0.6
55.60579	0.6
57.03440	1.4
58.00600	1.5
59.01382	35.0
59.73477	0.5
61.98829	4.7
66.51625	0.6
70.40897	1.5
71.01385	20.4
72.99311	2.1
73.02938	1.4
82.95404	0.7
83.01417	1.2
83.05016	0.6
85.02955	5.6
86.95010	0.6
87.00885	1.0
89.02454	17.1
91.89067	0.6
93.03472	0.6
95.01408	1.7
96.96022	1.7
97.06586	0.6
99.00939	0.8
101.02457	13.4
101.03123	0.7
108.02198	1.6
109.03005	1.2
111.00922	0.7
113.02448	5.7
116.92860	0.8
119.03511	5.9
121.02962	0.8
122.06158	0.7
123.00874	1.1
123.04531	1.6
124.01717	1.0
124.07906	0.6
125.02460	4.4
134.03796	1.1
135.04530	0.8
137.02455	1.5
139.04054	1.4
144.41905	0.6
149.06018	0.8
151.03995	1.5
152.01152	1.3
153.01894	0.6
161.02501	1.4
161.04529	0.7
167.03532	0.7
169.01468	1.1
171.10303	1.3
177.01967	1.9
177.05780	0.6
193.08714	0.9
201.11301	1.8
205.08742	0.7
209.08183	0.6
225.11223	0.7
290.07785	0.7
305.30692	0.6
311.23706	0.6
330.84714	0.7
371.24402	0.8
373.26303	0.8
375.27609	1.1
389.25247	0.7
441.12338	1.2
455.31723	4.6
456.32739	0.7
457.33282	1.0
501.31931	1.2
528.43774	0.6
631.26025	1.3
663.37585	100.0
664.37897	19.3
682.97211	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3907
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59700	0.2
59.01376	1.9
60.66922	0.3
61.98817	0.7
64.33259	0.3
68.99126	0.5
68.99418	0.4
68.99697	0.4
75.00874	0.7
79.82224	0.2
82.13684	0.2
95.01419	0.4
95.05030	0.9
96.75344	0.3
105.03477	2.6
107.01399	0.4
108.02177	0.9
109.03008	0.4
117.03486	1.2
119.05031	0.9
121.02966	0.5
123.04557	0.5
124.01648	0.3
125.02425	0.6
132.02176	6.1
133.02969	19.3
134.03755	21.4
135.04459	1.1
136.01669	39.1
137.02190	1.0
145.03006	0.6
147.04543	0.9
149.02451	1.5
149.06082	11.3
150.03250	1.3
150.06459	0.6
151.00423	0.7
151.04015	50.2
152.04364	1.7
153.05522	0.4
160.01666	31.4
161.02402	4.3
162.02943	0.3
163.04007	0.3
165.05602	1.6
175.04005	42.4
176.04352	2.8
177.01941	4.7
178.02734	1.5
179.03491	1.1
181.08792	0.4
192.04276	0.7
193.01430	1.7
193.05066	12.9
194.05423	1.0
211.06102	4.8
212.06512	0.2
241.72017	0.3
254.78310	0.3
267.66006	0.3
279.52679	0.3
331.07697	0.3
337.25406	0.2
356.95651	0.2
422.31296	0.3
437.30502	0.4
439.32410	0.5
446.78253	0.3
451.32208	4.1
452.32867	0.6
467.31390	0.4
469.33304	2.4
470.33734	0.5
493.52106	0.2
495.31155	13.4
496.31458	2.3
505.29956	0.3
511.34311	2.1
512.34729	0.4
517.29803	0.5
532.44769	0.2
571.34503	0.7
586.36420	1.4
587.37567	1.1
601.38977	1.9
602.38641	0.3
604.38239	0.4
617.37952	1.3
618.38623	0.4
619.39160	2.2
630.35956	2.5
631.36060	0.6
645.37982	71.4
646.38275	15.9
648.36926	1.2
654.42938	0.3
663.39008	100.0
664.39398	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06564	0.8
57.10201	0.7
59.01395	0.8
60.24945	0.8
61.86049	0.8
61.98841	3.6
71.91061	0.8
88.55683	0.8
96.12170	0.8
96.96049	3.3
98.21818	2.0
105.03475	1.5
109.02960	1.5
116.92887	0.8
117.03518	1.7
118.50690	0.9
119.05012	1.1
121.03027	1.4
132.02184	12.4
133.02983	13.3
134.03758	11.1
135.04549	7.2
137.02483	4.4
139.04091	1.0
145.03015	1.8
149.06148	1.2
151.04056	1.0
160.01678	50.3
161.02466	21.5
165.02014	2.1
175.04021	58.4
176.04378	4.1
177.02034	2.6
178.02832	2.1
179.03531	5.0
193.04970	4.0
274.43787	0.8
278.73410	0.9
348.77206	0.8
413.19910	1.4
455.32239	1.4
467.31595	1.4
476.88364	0.9
525.76184	0.9
554.74054	1.0
589.35632	2.0
601.36212	3.3
604.38910	1.1
619.36694	4.4
645.33923	1.5
663.39056	100.0
664.39447	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	663.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15294	0.4
58.50297	0.5
61.98823	0.8
69.78355	1.7
76.39865	0.6
93.03426	0.7
96.96015	0.4
98.21856	0.8
100.61667	0.4
105.03444	2.0
109.02945	1.5
112.47264	0.5
117.03462	0.5
119.04986	0.4
121.02982	0.9
123.04534	0.8
132.02184	11.8
133.02971	13.0
134.03764	7.9
135.04546	6.6
137.02452	3.0
139.04027	1.2
149.02481	2.3
149.06111	1.2
151.04016	0.7
160.01668	60.3
161.02461	8.5
162.01929	0.8
165.01927	0.9
175.04012	82.3
176.04375	3.3
177.01933	2.6
178.02760	2.4
179.03523	6.8
193.05083	6.1
194.05217	0.5
369.20697	0.7
411.33151	0.6
411.69037	0.4
423.33066	0.5
455.32001	0.6
573.36194	0.7
585.36053	1.9
601.35181	2.5
602.35870	1.0
604.38385	1.8
608.41412	0.5
617.35315	0.7
619.40338	5.9
620.40057	0.9
629.35187	0.5
648.35925	0.8
663.39044	100.0
664.39459	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	663.3907
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	1.8
64.15431	0.2
69.40416	0.9
72.27996	0.3
93.03436	0.3
93.13529	0.2
95.05010	0.5
103.38117	0.2
104.02695	0.3
105.03475	2.3
111.00908	0.2
111.04523	0.3
117.03470	0.8
119.05008	0.6
120.96753	0.2
121.02939	0.3
123.04518	0.2
132.02184	11.0
133.02972	14.8
134.03766	7.3
135.04565	0.5
136.01653	0.6
137.02444	0.7
139.04077	0.3
144.28781	0.2
145.02966	0.9
147.00882	0.4
147.04497	0.6
149.02333	0.2
149.06093	1.3
153.05563	0.4
153.51907	0.3
154.05676	0.2
160.01671	61.1
161.02145	3.0
175.04013	66.1
176.04367	2.8
177.01945	3.2
178.02733	0.5
181.08783	0.6
192.04308	0.4
193.05070	4.4
208.07576	0.3
427.19589	1.2
439.32217	0.4
455.31674	0.6
467.32025	0.4
468.73230	0.3
469.33118	1.4
470.33109	0.4
481.24530	0.3
513.32556	0.5
544.33374	0.3
604.37122	0.3
619.36383	3.8
620.36523	0.6
648.36603	2.2
649.37720	0.6
663.39056	100.0
664.39398	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	663.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99303	1.7
64.55811	0.5
69.80320	1.8
77.15240	0.4
78.79490	0.4
89.03960	0.6
105.03487	0.9
107.82233	0.4
113.05810	0.4
117.03501	2.0
132.02179	2.7
133.02969	8.0
134.03755	27.4
135.04056	0.6
136.01665	0.5
145.03012	0.4
147.04485	0.7
149.06096	3.4
160.01666	17.2
161.02332	1.6
170.02957	0.4
171.01965	0.4
173.33357	0.4
175.04013	26.2
176.04337	1.1
177.01944	1.7
193.05075	21.1
194.05408	1.1
346.43399	0.6
351.26663	0.5
407.33194	1.0
469.33130	2.4
471.41248	0.5
507.61307	0.4
519.31451	0.6
586.36981	0.5
601.39014	1.0
604.37866	0.8
619.39703	0.6
648.36597	1.7
663.39044	100.0
664.39441	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	663.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89692	0.6
57.03450	0.9
59.01392	0.8
59.29042	0.6
61.98846	3.1
69.14594	0.6
69.29990	4.0
71.90263	0.6
77.03938	0.6
86.90653	0.6
87.04524	0.7
89.20780	0.6
95.05033	0.9
96.96012	2.8
98.22559	1.3
105.03469	3.3
105.70103	0.6
107.66394	0.6
109.02966	0.7
117.03456	1.1
118.94176	0.6
119.05047	1.7
122.19780	0.6
123.04548	1.1
132.02176	9.6
133.02969	24.7
134.03786	6.4
135.04506	1.8
136.01668	0.7
137.02443	1.6
145.02965	2.3
149.02411	1.2
149.06070	1.6
151.04005	1.0
160.01672	43.4
161.02469	5.1
175.04012	43.0
176.04358	1.7
177.01906	5.4
178.02649	0.9
179.03592	1.1
181.08690	1.5
192.04329	0.7
193.05078	3.9
193.95451	0.6
221.08295	0.7
306.41898	0.6
381.80023	0.7
401.29889	0.7
469.33331	2.2
483.31348	0.9
513.32465	0.9
545.16895	0.7
567.95746	0.9
591.30304	0.8
619.36810	1.3
648.36700	4.2
663.39069	100.0
664.39331	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17961	0.5
61.98823	2.0
68.94384	0.6
70.16938	1.3
74.14092	0.5
76.39896	0.5
77.03950	0.6
98.22439	0.5
105.03490	3.1
111.04546	0.9
117.03487	1.4
119.05040	1.2
121.02975	0.7
123.04529	0.8
132.02194	9.2
133.02972	25.5
134.03824	3.8
135.04532	0.9
136.01683	0.7
137.02434	0.7
145.03004	1.3
149.02458	0.7
149.06096	2.0
151.04042	0.7
160.01671	44.2
160.84241	0.8
161.02454	5.0
175.04016	46.0
176.04362	2.2
177.01935	5.6
181.08762	0.6
193.05063	2.4
197.01706	0.5
209.08270	0.6
270.14624	0.6
282.49689	0.5
296.98041	0.6
304.14819	0.5
469.33499	2.1
513.32092	1.3
604.37799	0.7
648.36847	4.9
649.37524	1.2
663.39099	100.0
664.39398	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	663.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.6
61.98833	0.5
69.04538	4.1
69.04938	1.0
76.91748	0.6
93.03467	2.6
104.02679	1.6
108.02225	0.6
112.08064	0.5
121.02966	16.6
132.02185	26.4
133.03072	3.5
147.04533	33.9
148.01663	2.4
148.04872	1.2
149.02464	5.0
150.03249	4.8
151.04106	1.4
160.01657	1.8
165.05582	2.8
175.04007	1.1
176.01160	8.3
177.01904	2.8
181.08757	0.9
191.03511	16.5
192.03882	1.4
209.32986	0.5
223.46301	0.6
413.19763	0.6
418.89606	0.6
423.28717	0.7
453.33746	3.6
454.34763	0.6
469.32837	1.0
471.34894	3.2
497.33044	0.9
548.31348	0.5
606.31610	0.7
648.36383	3.9
649.37238	0.9
663.39032	100.0
664.39392	20.8
664.50854	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.4615
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	88.0
69.21219	43.9
69.21627	100.0
81.43861	21.0
98.11949	21.1
98.21767	43.6
131.90042	21.0
133.02979	29.4
156.73674	20.9
156.77789	21.5
582.21649	27.9
654.55035	21.4
663.38043	39.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.371
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.7
59.01389	5.0
61.98831	4.8
63.67892	0.7
64.32709	0.7
69.43011	0.6
71.01389	4.3
71.16889	0.7
73.02946	1.4
85.02964	1.9
86.08276	0.7
87.00890	1.0
88.98669	0.6
89.02445	5.9
97.03067	0.7
98.21762	2.0
101.02449	2.3
105.43985	0.7
108.02179	1.0
113.02470	2.1
119.03500	0.8
123.00867	0.9
123.04533	1.7
125.02457	2.6
125.09743	2.1
136.01659	1.3
137.02419	1.7
151.04005	3.0
160.04042	3.3
161.04553	1.0
163.03967	0.8
164.04829	3.5
165.31909	0.7
167.64995	0.8
169.01482	1.1
178.06375	1.3
179.07130	3.1
187.09674	1.2
209.08167	1.0
209.11798	1.2
228.74529	1.1
245.94206	0.8
299.05527	0.8
337.07507	0.8
343.15585	4.2
359.15121	5.1
415.32275	13.3
416.32626	2.3
459.31207	100.0
460.31601	13.9
460.42004	0.9
473.32730	3.1
501.32236	9.8
502.32477	2.6
503.33029	1.8
621.36493	3.2
622.36389	0.9
633.31128	2.8
664.38855	1.1
665.26355	1.7
665.37701	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	664.3861
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57970	1.0
61.98833	100.0
73.07249	1.0
78.95899	1.6
98.22521	4.0
108.63566	1.1
194.75925	1.3
229.56520	1.6
354.44434	1.3
386.48248	1.2
448.89484	1.5
493.55112	1.3
533.94226	1.2
664.39880	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.386
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49510	0.4
57.13842	0.4
57.85384	0.4
61.98834	100.0
62.90847	0.4
71.27094	0.7
78.95915	0.5
87.99241	0.5
128.78709	0.4
133.02985	0.5
161.02493	2.2
196.89558	0.5
238.16219	0.4
307.95047	0.4
601.39032	8.3
601.47717	0.6
602.40143	1.5
665.37549	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.3861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01392	0.6
61.98835	100.0
64.04455	0.5
69.21178	2.7
78.95908	0.5
112.32101	0.6
134.03859	0.6
161.02495	2.4
180.39606	0.5
601.39099	8.1
602.39673	0.9
636.22485	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.386
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
70.54773	0.7
75.03935	0.7
75.59977	0.9
79.75893	0.8
81.18470	0.9
151.53123	0.8
157.76709	0.8
161.02527	1.5
186.95627	0.8
310.55954	0.8
529.46643	1.0
601.38934	10.7
602.39648	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	664.4071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	3.5
57.03457	3.8
58.00583	5.7
59.01382	100.0
61.98816	8.2
63.22693	2.4
69.03262	5.9
69.03661	18.7
70.79319	2.8
71.01386	77.8
72.96411	2.2
72.99311	4.7
73.02943	12.2
83.01392	3.8
85.02973	15.7
87.00870	7.2
89.02451	92.3
95.01385	8.6
96.95993	8.2
99.00893	4.5
101.02455	66.8
108.02165	4.4
109.02949	5.4
111.00854	2.7
113.02441	33.9
116.09467	2.2
119.03511	28.6
123.04554	3.1
125.02437	9.3
127.38370	2.4
131.03493	8.3
135.04552	2.9
143.03549	11.8
149.04581	3.0
161.02481	3.2
161.04585	19.8
169.01506	3.9
177.01991	2.5
179.03423	3.8
179.03780	4.1
179.05617	92.8
201.11386	4.2
221.06700	25.0
296.07050	2.8
311.09375	8.2
357.26477	4.5
383.11066	3.6
468.79910	2.4
502.32251	8.2
503.33929	21.9
575.27606	3.0
621.40009	7.0
664.37897	15.4
665.27429	3.2
665.37738	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	665.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.9
57.03441	0.8
58.00603	1.1
59.01381	19.3
61.98831	1.2
64.21658	0.5
69.03466	1.6
71.01385	24.7
72.01708	0.5
72.99317	1.6
73.02938	3.5
81.03468	0.6
83.01400	1.7
85.02948	5.1
87.00891	2.5
87.09186	0.4
89.02450	26.9
93.03481	0.6
95.01402	1.4
95.05047	0.6
96.08796	0.4
96.96015	1.0
97.02955	2.0
99.00883	0.9
101.02447	18.6
102.02807	0.7
105.03459	1.3
107.05042	0.5
109.02941	1.3
111.00883	0.8
113.02451	11.2
113.03176	0.9
117.03436	0.5
119.03512	14.7
121.02989	1.1
123.00928	0.5
125.02453	12.3
125.03345	0.8
131.03487	3.3
133.02968	12.6
134.03764	9.9
135.04535	100.0
136.04869	4.2
137.02449	3.5
139.04057	1.3
143.03510	4.7
145.02982	0.7
147.04607	0.7
148.05295	3.6
149.04565	0.9
149.06078	2.4
150.03178	0.4
150.93411	0.4
160.33299	0.4
161.02449	1.8
161.04570	5.2
163.04056	0.7
163.07626	1.2
166.91815	0.5
167.03519	0.8
177.01929	2.9
177.05608	1.6
178.02736	9.2
179.03516	62.5
179.05606	7.0
180.03806	3.0
192.04227	0.4
193.04996	1.2
203.05508	0.6
221.04659	0.7
221.06664	7.9
240.12262	0.4
240.20706	0.4
241.71432	0.5
245.06555	1.0
263.07703	3.1
323.09912	7.4
326.07816	0.7
341.10303	60.0
342.10593	5.4
383.11374	1.7
395.11453	0.5
665.20691	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.8
57.15776	0.6
58.00587	1.3
59.01382	29.7
61.98807	1.0
69.03436	1.5
69.84039	1.9
69.84451	1.1
70.42204	0.6
71.01386	26.5
71.29416	0.6
72.01775	0.7
72.99303	1.8
73.02945	3.1
81.03454	1.3
83.01392	1.9
83.03715	0.7
85.02951	6.6
87.00892	3.7
89.02448	28.2
95.01388	1.6
95.05029	1.1
96.96030	0.9
97.02982	2.3
97.49801	0.8
98.22440	0.9
101.02448	18.7
104.34377	0.6
105.03501	1.3
107.05043	1.2
108.02220	1.4
109.02972	1.6
111.00900	2.3
113.02460	10.9
116.92850	0.8
119.03519	17.2
121.02917	1.4
122.03739	1.0
123.04517	1.7
125.02460	12.7
131.03508	3.5
133.02954	13.3
134.03760	11.4
135.04535	100.0
136.04863	4.2
137.02487	3.7
137.09763	0.7
139.04016	2.0
143.03485	4.7
148.05327	3.7
149.04625	1.0
149.06042	1.7
152.01173	0.7
161.02444	2.8
161.04587	5.3
163.07730	1.3
167.03438	0.8
169.01491	1.2
177.01997	3.6
177.05574	1.4
178.02724	10.4
179.03510	57.9
179.05579	7.6
180.03830	2.8
193.05125	0.9
221.04565	0.9
221.06647	10.8
245.06618	1.2
263.07819	2.9
270.08881	0.7
323.09805	9.1
324.10233	0.8
341.10303	67.4
342.10760	5.9
357.26538	1.4
383.11417	2.4
503.33936	3.2
665.28979	1.7
665.37848	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	665.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30861	0.5
53.96342	0.5
55.01870	0.7
57.03458	1.3
59.01382	6.6
61.98822	0.8
63.78310	0.6
69.80684	2.3
69.81021	0.5
71.01385	8.3
73.02962	2.8
83.01400	1.8
85.02950	4.4
86.00081	0.6
87.00874	0.8
89.02402	0.7
95.01382	1.3
96.96034	0.6
97.88815	0.5
98.21818	0.8
99.00876	0.9
101.02447	5.6
109.02956	0.9
111.00905	0.7
113.02458	2.7
122.09303	0.5
125.02435	1.0
128.01219	0.5
145.02849	0.6
152.01222	0.9
161.02493	0.9
166.46617	0.6
169.01399	0.5
169.63911	0.5
230.91531	0.5
251.11537	0.6
255.84367	0.5
373.26074	0.8
383.29626	0.6
391.27090	0.7
459.30994	3.3
476.38177	0.6
503.34103	6.6
504.34137	1.2
512.67236	0.6
621.36456	2.0
665.35498	100.0
666.35858	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35389	0.4
55.01865	0.6
57.03445	1.3
58.00594	2.1
58.00829	0.4
59.01381	44.3
59.07023	0.4
60.01693	0.5
61.98806	0.4
66.16921	0.3
71.01386	20.2
72.99311	1.5
73.02944	0.4
74.53107	0.4
83.01388	1.7
85.02949	4.1
89.02448	16.7
90.02802	0.4
95.01399	1.5
99.00883	0.7
101.02444	13.1
102.92773	0.4
113.02470	6.8
114.02792	0.4
118.97745	0.4
119.03500	5.2
119.68237	0.5
125.02431	0.6
126.79316	0.5
137.02528	0.4
143.03503	0.4
149.04561	0.4
173.04530	0.6
311.23898	0.5
323.23734	0.5
381.27820	0.5
383.29797	0.6
413.30841	0.4
457.29568	5.6
458.29974	1.0
459.31039	1.9
503.30246	1.7
504.30652	0.6
504.71820	0.5
665.35413	100.0
666.35822	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	665.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.8
55.22134	0.6
57.03458	3.4
57.07298	0.6
58.00584	0.7
59.01383	16.2
61.98830	0.7
67.01878	0.7
68.11547	0.6
69.38850	3.6
70.58539	0.6
71.01390	10.3
72.01689	0.7
72.99290	0.9
73.02934	2.7
78.74275	0.7
79.02419	0.5
81.03481	0.6
82.95402	0.8
83.01373	1.1
85.02957	2.6
87.00874	1.1
88.98812	0.7
89.02453	6.4
95.74655	0.6
96.96008	3.9
99.00872	0.8
101.02454	6.5
106.86497	0.7
108.02164	1.2
109.02961	1.0
109.06613	0.7
110.72817	0.6
111.00889	4.2
113.02466	3.1
119.03529	1.7
123.04576	0.8
125.02479	1.6
133.02924	0.6
135.04506	1.3
137.02431	1.2
143.03513	0.7
151.04030	0.8
152.01118	0.7
158.93095	0.5
161.02458	1.8
161.04593	1.1
169.01419	1.5
179.03522	1.0
193.08875	0.6
221.11372	0.8
250.50038	0.6
257.15247	0.6
311.23868	0.7
313.25348	1.2
337.07272	1.0
371.24576	1.0
373.25702	0.7
381.28049	1.8
383.29608	4.4
392.59930	0.7
395.29355	2.9
413.30621	1.4
415.32553	4.0
441.30496	1.1
457.29428	5.8
458.29852	1.1
459.31018	9.2
485.19800	0.8
503.30020	37.5
504.30518	4.8
549.23553	1.3
623.38251	4.8
665.35669	100.0
666.35876	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	665.3692
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.2
60.72723	1.1
61.98815	1.6
69.28549	8.4
71.04995	1.1
72.77364	1.0
72.94301	1.2
78.95900	1.3
81.03468	1.6
83.01414	1.2
84.93714	1.1
85.06561	1.7
87.04535	1.6
109.02957	2.1
109.06586	3.7
111.04511	6.6
113.09723	11.4
125.02443	4.1
151.07657	16.8
152.08014	1.4
153.05577	1.3
165.09288	1.6
166.06308	1.9
177.05586	1.5
179.07137	1.4
181.08717	100.0
182.09024	5.1
183.06633	2.9
191.07108	1.2
195.06641	73.2
196.06966	4.5
205.05051	5.1
205.08818	1.1
207.06609	4.7
208.07256	2.0
209.08171	7.8
225.07683	2.5
233.04594	8.8
233.08078	3.5
237.07661	2.0
239.09215	3.1
244.39255	1.4
245.08240	1.2
246.09010	1.9
247.09798	3.0
248.06863	1.6
249.11302	3.6
275.09360	1.2
355.11981	14.3
356.12216	2.8
369.13364	5.0
371.18671	3.9
387.14502	2.9
411.22037	1.8
427.21252	31.1
428.21179	2.8
429.12167	18.6
429.23306	64.5
430.12302	2.1
430.23566	7.5
483.16302	1.3
603.30109	1.3
615.86151	1.2
665.36047	35.5
666.36755	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	665.37
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98819	3.5
71.28179	1.4
89.03960	2.7
93.03474	5.2
93.61844	1.4
105.03495	2.8
107.05006	2.8
109.02934	4.8
117.03465	2.0
121.02948	6.9
122.03742	5.2
123.04532	4.6
124.01653	3.5
133.02974	38.8
134.03769	16.2
135.04539	100.0
136.04866	4.1
137.02448	30.2
139.04048	9.2
145.02943	2.8
149.02446	15.5
150.03290	9.4
151.04031	9.1
153.01970	2.1
160.01665	4.1
161.02457	21.0
162.02850	1.5
165.01929	4.6
175.03993	4.2
176.04341	2.9
177.01945	43.7
178.02687	14.2
179.03511	94.5
180.03836	3.9
193.01411	3.1
193.15985	4.2
207.26529	1.8
221.15462	1.7
267.16064	5.8
287.32413	1.4
371.18771	2.0
385.20233	4.5
386.20712	3.0
437.07990	1.6
441.18692	1.3
469.32974	2.5
530.67188	1.7
585.35645	2.4
587.37097	3.9
603.36938	7.0
619.36169	6.3
621.37921	4.6
622.38416	1.8
647.35931	37.2
648.36359	11.5
665.37189	67.9
666.38037	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
69.13570	5.4
70.95868	0.9
71.15094	0.9
93.03475	1.6
95.85600	0.8
105.03479	1.6
106.04264	0.9
109.02957	3.7
117.03508	1.0
121.02967	4.1
123.04551	1.9
132.02136	1.8
133.02974	36.1
134.03775	21.8
135.04533	24.7
137.02454	23.2
137.21646	1.0
139.03995	7.5
149.02502	1.7
150.03236	2.5
151.03998	2.9
161.02460	97.2
162.02786	5.0
163.03961	1.5
177.01903	4.6
178.02718	17.1
179.03510	16.0
180.03986	0.9
219.06891	0.9
263.16531	3.2
287.13083	1.3
301.14627	1.2
311.20120	1.2
317.13977	2.7
331.15698	1.9
355.19162	25.8
356.19531	2.2
369.16989	12.4
370.17508	2.5
371.18741	6.6
372.19083	1.3
384.19443	8.5
385.20197	48.5
386.20752	9.6
413.19687	2.7
416.18332	6.1
418.20007	13.5
419.20703	1.7
517.82635	1.0
520.31122	1.1
576.75500	1.2
587.37402	14.8
588.38293	4.6
602.36670	1.2
603.36841	8.5
604.37158	2.5
631.36218	8.9
633.34259	3.6
647.36182	4.4
648.36078	1.4
665.36969	100.0
666.37476	24.7
678.58325	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38290	0.8
61.98821	4.3
63.56005	0.8
69.12379	5.5
69.12787	1.7
69.50203	1.0
77.08497	1.0
81.03469	2.0
83.01381	1.2
91.01906	1.5
93.03510	1.4
95.01366	2.7
95.61514	0.9
108.02176	5.0
109.02960	74.1
110.03297	2.7
111.00887	5.2
121.02952	1.6
123.00882	8.1
124.01686	9.6
129.61317	1.0
133.02972	3.1
134.03770	1.6
135.04494	1.0
136.01660	2.8
137.02460	51.4
138.02780	1.1
139.00352	1.4
151.00270	1.1
153.01909	2.1
160.01617	1.2
161.02399	2.7
165.01929	6.8
175.04015	2.1
179.03497	1.8
181.01520	2.4
190.99852	1.7
202.99377	1.0
209.00905	3.6
401.39008	1.0
409.34976	1.6
451.24432	1.1
453.33694	4.2
485.32669	1.7
575.37543	3.8
603.36914	25.9
604.37347	4.6
619.36407	3.4
620.37653	1.3
621.37646	1.4
647.35913	85.3
648.36304	18.7
665.36908	100.0
666.37329	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	665.37
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.3
58.00587	0.9
59.01365	0.4
61.02201	0.3
61.98825	0.3
71.01391	0.7
71.43128	0.3
73.02954	6.3
80.96728	0.3
85.02950	0.3
93.03498	0.3
98.22534	0.7
105.03486	1.7
109.02956	0.4
117.03469	0.8
119.05067	0.6
121.02985	1.6
123.04538	0.5
132.00322	0.3
132.02176	4.5
133.02968	14.0
134.03783	7.1
135.04482	0.7
136.01662	0.5
137.02467	1.0
147.04538	0.6
149.02411	0.4
149.06084	3.2
150.06506	0.3
151.04066	1.2
160.01674	26.6
161.02461	2.1
175.04018	33.9
176.04362	1.3
177.01929	3.4
178.02713	0.9
179.03537	0.8
192.04356	0.5
193.05096	3.4
365.99338	0.3
397.31226	0.4
399.21683	0.3
441.35397	0.3
453.26505	0.3
471.31146	2.0
472.31644	0.5
505.30109	0.5
520.32025	0.7
552.31561	0.4
603.35980	0.3
606.35822	3.4
607.35596	0.7
621.37885	5.1
622.38617	1.4
665.36969	100.0
666.37366	20.3
666.49158	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3693
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18517	1.2
57.48258	1.4
61.98836	3.1
71.05035	1.5
72.73317	1.2
84.27575	1.4
93.03458	1.7
96.96049	2.6
98.22591	2.0
109.03003	4.0
111.48920	1.2
112.70875	1.3
121.03008	4.1
123.04559	1.9
132.02229	4.1
133.02969	23.4
134.03731	6.7
135.04533	13.4
137.02444	8.7
139.04054	2.8
145.03027	1.8
149.02502	5.4
149.05901	1.6
151.04073	2.6
154.34912	1.8
160.01645	18.0
161.02443	27.4
162.02884	2.2
165.01990	4.3
175.04015	18.2
176.04456	2.5
177.01964	4.7
178.02698	1.3
179.00008	1.6
179.03505	9.6
193.01523	1.5
193.05026	2.6
200.39098	1.4
223.65327	1.4
228.04689	1.4
369.20743	1.7
372.30405	1.5
462.79398	1.4
471.35114	1.7
485.32956	9.8
486.33136	1.6
583.29663	3.5
603.36670	8.8
621.38116	3.8
647.36060	4.0
665.39514	100.0
666.39703	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	665.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.5
62.17186	0.5
75.54797	0.4
78.00484	0.4
85.02930	0.5
87.04533	1.0
87.08748	0.4
91.72543	0.4
109.06634	0.6
111.04523	0.9
112.05125	0.5
113.09735	12.4
113.10474	0.8
119.05059	0.6
123.08176	1.2
124.01682	0.7
125.06113	1.5
138.03244	0.7
165.01848	0.6
165.09192	0.9
166.02737	2.5
166.06366	1.5
181.08719	89.3
182.09064	4.6
191.03485	1.4
195.06705	0.7
203.14389	1.8
207.06660	1.6
208.07426	9.8
209.07887	0.9
210.05260	0.6
217.12042	0.5
219.06613	0.9
221.08157	1.1
224.06815	2.4
224.41656	0.5
229.00317	0.5
231.06653	0.9
233.08102	1.3
245.08173	0.6
245.11847	0.8
247.09750	20.6
248.10182	1.0
261.07358	0.6
262.12064	1.3
265.18259	0.8
275.09286	16.4
275.12350	0.8
276.09628	1.2
289.14362	0.6
290.11606	2.2
299.16428	1.0
301.11026	0.7
301.14374	2.7
315.12415	6.8
315.19366	0.9
316.13107	0.5
329.13687	2.5
345.17093	10.5
346.17328	1.0
359.18604	7.1
360.19135	0.7
369.17059	0.9
371.18649	0.5
385.27634	2.5
413.22824	0.7
429.22119	100.0
429.26761	16.6
430.22446	12.4
430.27362	1.8
483.26685	15.3
484.26956	2.7
665.36969	75.6
666.37262	15.7
691.27258	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82818	1.0
60.93016	0.8
75.38975	0.9
78.73322	0.9
81.89322	0.9
86.64639	1.0
87.04524	0.9
109.06625	1.6
111.04550	4.4
113.09737	14.6
123.08172	1.9
125.06065	2.5
165.09251	2.7
169.74188	1.0
181.08719	92.0
182.09061	5.0
189.12872	1.0
191.03584	1.2
195.06633	2.0
203.10861	1.2
203.14470	1.6
205.05006	1.1
207.06711	2.8
208.07443	4.4
209.08214	9.8
218.57520	1.0
219.06654	2.3
221.08228	4.3
223.09814	4.4
231.10216	1.2
233.08214	13.4
235.09665	2.6
245.15544	1.3
247.09770	13.2
248.10399	1.3
249.11040	1.2
261.07675	10.5
275.09222	6.8
275.11890	1.0
276.09894	1.1
287.12836	2.4
289.14526	2.5
301.11102	1.7
301.14490	1.6
315.12506	6.4
315.19830	1.3
329.14102	1.3
345.17044	7.3
359.18707	10.3
394.96469	0.9
415.21036	10.6
416.21600	1.0
429.22440	93.2
430.22681	9.1
441.19379	1.5
443.20743	2.9
455.20346	1.1
462.26370	1.1
483.20468	1.5
483.26984	16.1
484.27902	2.3
556.77472	1.0
665.37140	100.0
666.37463	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	665.3698
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79657	0.7
59.01381	0.9
61.98819	1.1
69.72564	2.3
70.48819	0.6
74.17519	0.6
79.18162	0.7
82.34293	0.6
96.96020	0.6
98.22550	0.8
105.03440	0.8
109.64151	0.8
112.15794	0.8
117.03513	0.6
118.98800	0.7
125.04690	0.6
132.02240	0.8
133.02966	30.0
134.03702	2.7
135.04555	9.1
137.02444	2.2
139.04030	0.9
145.02887	0.7
161.02457	79.1
162.02824	3.6
162.83929	0.7
177.01910	0.8
178.02824	1.2
179.03523	2.8
190.61229	0.7
303.26385	0.7
430.14349	0.7
478.02753	0.7
610.21698	0.8
621.37976	0.7
665.36993	100.0
666.04010	0.7
666.37372	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21082	0.7
55.01880	4.6
57.03447	3.6
59.01382	21.2
61.98824	1.2
62.60295	0.8
71.01385	51.7
71.29794	0.9
72.99302	2.2
73.02950	16.4
75.00854	1.2
78.19570	0.8
78.65121	0.6
83.01394	9.4
85.02956	25.8
86.00109	1.8
87.00893	3.0
89.02455	8.2
95.01390	4.6
96.96039	1.2
97.02950	1.4
99.00898	6.3
101.02451	37.1
109.02944	1.3
111.00900	1.5
113.02464	22.4
114.02795	0.9
119.03512	3.0
123.60481	0.7
125.02432	3.5
129.01964	1.1
137.02438	1.2
143.03532	2.2
159.03014	4.7
161.04564	22.3
168.55692	0.7
169.01424	2.3
169.82422	1.0
172.14355	0.9
179.05544	1.4
307.56812	0.7
427.32175	3.4
439.31909	1.1
459.34772	10.6
621.40094	100.0
622.40430	16.4
629.24487	1.8
665.39197	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.4062
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97243	0.6
61.98849	0.8
66.03421	0.6
78.17377	0.6
84.76421	0.6
105.03494	1.0
123.04570	1.1
133.02953	5.5
134.03754	6.8
134.36461	0.6
136.01671	19.1
148.16895	0.6
149.06079	9.1
151.04019	34.1
152.04352	1.5
160.01689	6.7
161.02325	0.7
175.04015	14.7
176.04330	1.1
177.01965	2.0
191.67419	0.6
193.01431	1.2
193.05054	2.2
211.06085	1.1
361.43509	0.7
453.33679	7.8
454.34271	1.1
471.34760	1.7
497.32761	13.7
498.33359	2.2
505.30142	0.9
513.36017	2.3
621.37543	0.7
632.37067	2.8
647.39545	58.0
648.39978	12.8
665.40625	100.0
666.41034	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.4064
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89032	0.6
59.01360	0.7
61.98842	1.2
69.12160	5.2
71.05020	0.9
84.95713	0.6
85.25874	0.6
88.39038	0.6
88.74685	0.6
90.19244	0.6
95.05045	0.8
98.21742	0.7
99.87803	0.6
105.03483	1.8
107.05074	0.9
109.02979	0.6
116.47851	0.5
121.02978	4.8
123.04563	0.9
125.06131	1.0
125.28220	0.6
126.64378	0.6
130.45110	0.6
132.02182	3.6
133.02972	14.5
134.03745	6.1
136.01678	0.9
137.02466	1.7
138.46521	0.7
139.04024	0.9
145.02956	0.8
149.02481	1.4
149.06093	1.2
151.04036	1.7
160.01660	21.3
161.02354	2.4
165.01913	1.2
165.21208	0.7
171.35268	0.6
175.04016	22.8
175.05530	1.2
176.04420	1.7
177.01973	2.8
178.99936	0.7
184.85326	0.6
186.61577	0.7
193.05049	3.8
278.18823	0.8
291.59995	0.7
379.51041	0.7
408.40689	0.8
451.32425	0.8
471.34808	1.4
590.36182	0.8
605.39032	1.4
619.36078	1.1
621.38141	0.9
623.33929	1.0
647.35938	0.7
650.38409	1.7
665.40643	100.0
666.40979	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	665.406
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35957	0.4
58.00584	0.5
61.98831	0.8
62.23466	0.5
71.01422	0.4
71.05030	1.0
73.02947	3.1
76.95720	0.4
95.05054	0.8
98.21706	0.9
105.03467	2.5
109.02955	0.7
113.39191	0.5
114.52676	0.4
117.03452	0.5
119.05131	0.5
121.02920	0.5
132.02193	5.9
133.02977	19.0
134.03770	8.8
135.04550	0.7
136.01697	0.8
137.02452	1.0
147.04607	0.8
149.06078	3.4
151.03970	0.5
153.05646	0.5
160.01674	33.5
161.02342	3.0
175.04012	40.3
176.04410	1.9
177.01932	5.0
178.02776	0.5
179.03612	1.2
192.04303	0.5
193.05061	4.6
194.48756	0.5
399.21753	0.6
411.32953	0.7
427.32706	0.5
427.79169	0.4
467.29028	0.5
471.30923	1.0
515.34650	0.5
605.38458	0.8
606.36462	1.6
621.38062	2.5
622.38519	1.1
650.37775	1.9
665.39581	100.0
666.39825	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	666.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42495	0.9
61.98837	100.0
69.67844	3.1
69.99343	0.8
70.87609	0.8
74.17570	0.8
79.90380	0.9
89.92034	0.9
100.53764	0.8
104.20644	0.8
133.02969	0.8
161.02431	3.1
258.36990	0.9
265.07358	0.8
603.40607	5.7
604.40796	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	666.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84241	0.2
57.89664	0.2
60.11140	0.2
61.98835	100.0
78.87522	0.2
106.38565	0.2
107.98270	0.3
114.68634	0.2
133.03006	1.0
161.02428	2.0
163.04059	0.5
219.07874	0.2
359.05786	0.3
396.96716	0.2
404.23685	0.3
573.39423	0.4
603.40649	9.1
604.41034	1.5
623.37091	0.8
666.38495	0.3
681.09467	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95419	2.1
57.03444	14.4
60.99317	19.9
63.94686	2.0
69.25120	13.6
81.03452	2.3
88.98813	74.3
94.83739	2.1
95.01388	2.8
97.02962	3.1
98.21742	2.7
109.02966	15.5
121.02961	6.5
123.04540	12.9
125.02464	100.0
126.02808	4.4
131.54858	2.3
133.02945	4.0
137.02469	18.1
139.04018	4.6
149.02458	3.3
151.04041	8.6
159.04547	3.9
161.02461	23.0
161.06061	3.5
162.03094	2.9
163.04077	2.8
164.01231	3.5
165.01971	5.1
167.03534	3.1
169.01483	6.5
175.04002	8.5
177.01891	16.1
179.03545	6.6
187.03995	5.2
203.03319	2.4
203.07185	11.0
205.01459	3.7
205.05095	6.3
208.23294	2.4
211.03941	2.5
217.05174	3.0
229.05133	3.1
243.03046	6.8
245.04530	5.8
245.08255	12.5
246.08588	3.5
255.03108	5.4
256.03772	5.9
269.04562	3.9
273.04111	6.1
275.02078	2.7
281.04550	3.7
285.03998	4.6
287.05753	12.8
289.07193	68.9
290.07532	6.0
299.05701	6.5
339.08636	3.4
360.36981	2.3
407.07724	58.0
408.08002	7.0
425.08807	50.3
426.09152	7.0
451.10300	18.8
452.10785	2.5
559.13123	2.8
577.13556	30.6
578.13647	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	667.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62600	0.9
52.87703	0.9
55.36363	0.9
59.01376	1.8
61.98841	0.9
62.35002	1.0
67.58750	0.9
71.01385	2.4
77.03545	0.9
83.27188	1.0
93.44776	0.9
96.96010	1.7
98.21783	1.6
99.16217	1.1
101.02451	1.1
108.02186	1.3
108.78944	1.0
111.00873	1.1
115.92093	1.2
116.92906	2.0
117.68086	0.9
121.29717	0.9
125.02426	2.0
132.02177	2.2
134.03778	1.8
137.02446	1.3
141.91261	0.9
160.01686	8.4
161.02397	1.0
175.03999	4.7
175.20047	1.0
180.49254	0.9
197.99634	0.9
231.45009	1.0
243.06616	1.1
252.25760	0.9
254.99484	1.1
257.00934	2.1
267.16965	0.9
269.98062	22.5
270.98828	27.3
271.99335	1.6
282.98795	1.0
285.00439	13.0
286.01065	3.2
297.94772	0.8
297.97568	43.3
298.98331	48.5
299.98938	9.3
300.99921	3.0
309.77362	0.9
312.99936	66.3
314.00681	76.4
315.01138	7.7
323.07874	1.2
328.02258	20.5
329.03040	100.0
330.03320	7.7
343.04440	1.6
470.19254	1.1
610.35999	1.2
652.10474	2.2
667.13080	62.0
668.13440	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	667.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02428	0.2
56.90939	0.2
59.01381	1.1
61.98835	0.3
69.02741	1.7
70.25485	0.2
71.01371	0.7
72.99332	0.2
79.95734	2.8
83.01385	0.3
85.02950	0.3
87.00884	0.7
89.02450	0.5
93.03458	0.6
94.98106	0.2
96.96017	100.0
101.02454	0.7
109.02959	0.3
111.00897	0.5
113.02419	0.3
120.99640	0.5
123.00902	0.4
125.02458	0.9
137.02458	0.6
150.03415	0.2
151.04060	0.3
157.36925	0.2
161.02406	0.4
166.62715	0.2
169.01453	1.3
175.71452	0.2
179.05725	0.3
181.05170	0.3
200.18622	0.2
211.02597	0.3
220.89484	0.2
229.32237	0.2
271.04678	0.5
311.17709	0.2
343.11856	0.8
343.15656	0.3
372.50058	0.2
381.74216	0.2
445.29868	0.2
450.09100	0.2
487.20123	0.7
569.22504	3.2
570.22797	0.6
583.13354	0.3
667.22845	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	83.3
61.98817	8.2
69.09934	11.6
69.10340	27.4
71.01385	60.7
72.99300	5.6
73.02944	18.0
81.03449	8.0
82.95390	5.3
83.01383	5.0
83.05011	8.1
84.95100	8.8
85.02938	15.7
85.93501	5.9
87.00858	5.9
89.02450	62.8
92.37856	5.1
95.01398	6.8
96.96010	9.9
97.02958	6.3
99.92585	21.9
101.02438	80.3
107.05029	13.1
108.02195	5.2
109.02942	9.4
109.06564	4.8
113.02464	27.2
113.11542	5.2
115.92079	8.7
116.92873	74.4
119.03510	31.5
121.02909	6.9
123.00873	10.5
125.02444	25.8
131.03510	11.2
134.55063	4.8
134.84758	5.2
135.04524	60.1
137.02455	8.3
137.06073	18.8
143.03474	12.4
147.04520	5.0
148.05263	10.4
149.06027	12.0
150.95084	4.9
151.04100	7.2
153.01862	5.9
161.04587	13.8
163.04001	10.2
169.56754	5.3
179.05592	43.0
181.05037	32.5
191.97113	5.1
195.06647	13.4
205.05148	6.5
221.06578	5.3
223.62463	5.3
231.93945	5.6
232.27762	5.2
234.00977	5.2
234.93231	7.4
235.94035	5.6
247.87125	4.8
325.10764	8.8
343.11871	100.0
344.12061	7.9
357.13342	6.5
367.11911	7.7
385.12869	15.5
416.54709	6.2
591.11700	21.9
666.47839	21.3
667.05792	6.8
667.16571	21.9
667.48486	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	667.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99487	0.3
55.38458	0.3
55.90040	0.3
59.01092	0.6
59.01383	11.1
64.32085	0.4
69.03450	0.5
69.31071	2.1
71.01392	5.4
72.99316	0.3
73.02943	0.8
83.01398	0.7
85.02966	1.0
89.02450	6.1
91.05543	3.4
93.03458	1.4
95.01408	0.5
95.05022	0.5
97.02981	0.3
101.02456	3.4
103.77290	0.3
107.05042	9.3
108.02225	0.5
109.02946	3.0
109.06609	1.4
113.02443	2.3
116.92857	0.6
119.03526	2.7
119.05030	2.2
121.02962	3.4
122.03756	0.8
124.01677	1.0
125.02470	2.9
131.03514	0.7
133.02917	0.3
135.04533	50.2
136.04942	1.2
137.06090	13.5
138.06441	0.6
143.03584	0.6
146.03732	2.3
147.04532	1.3
148.05305	5.9
149.06096	12.4
150.03255	0.5
150.06415	0.4
151.03992	1.7
161.02417	0.4
161.04584	1.0
162.03201	0.4
163.04004	1.2
163.07654	1.7
164.04865	0.8
179.03722	0.3
179.05605	2.1
179.07095	0.7
181.05081	25.2
182.05424	1.1
193.05075	0.6
195.06628	3.8
221.06696	1.5
239.07219	0.5
240.07884	2.0
245.06703	0.5
263.07544	0.4
323.09775	1.5
325.10898	1.7
343.11874	100.0
344.12228	8.9
359.15134	0.7
367.12112	0.4
426.11551	0.4
474.96323	0.3
493.28415	0.3
539.42511	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.9
55.43085	0.6
57.03437	3.0
58.00602	1.8
59.01383	54.7
61.98834	3.3
69.03448	1.7
70.25896	0.8
71.01386	49.5
71.28576	0.7
72.01672	0.6
72.99311	3.0
73.02954	9.5
81.03460	1.2
83.01385	5.5
84.49330	0.7
85.02956	15.5
87.00907	4.1
87.46556	0.6
89.02452	35.0
91.05531	6.4
93.03455	3.3
95.01402	5.2
95.05069	1.0
96.96014	4.9
97.02947	2.5
99.00892	2.8
99.04540	0.9
101.02452	33.9
102.02781	1.0
102.35782	0.8
107.05035	22.0
108.02190	3.1
109.02966	4.2
109.06612	1.4
111.00904	2.6
113.02456	19.8
119.03517	18.1
119.05000	1.5
121.02956	4.8
122.03771	0.7
123.04534	1.5
124.01688	1.3
125.02464	12.0
128.60054	0.7
128.76245	0.7
131.03516	2.3
133.02948	0.7
134.03786	1.3
135.04539	100.0
136.04823	3.9
137.02463	2.2
137.06087	11.0
137.42880	0.7
139.04056	1.1
141.01898	1.1
143.03482	5.3
145.02975	1.2
148.05331	9.9
149.02457	1.1
149.04803	1.4
149.06093	10.2
149.13364	0.7
150.06494	0.7
151.04042	2.8
152.01173	4.0
153.01924	1.1
156.93582	0.9
159.03012	1.2
161.02437	3.5
161.04510	7.0
161.05695	0.8
163.04031	1.7
163.07669	6.2
163.19846	0.7
164.04860	1.3
165.05594	1.0
168.00594	0.6
169.01440	2.3
175.04047	0.7
177.01964	1.0
177.05643	0.8
179.03473	1.4
179.05635	8.7
179.07056	1.2
181.05067	21.2
181.06566	1.4
182.05453	1.2
191.03468	0.7
193.05078	1.8
195.06624	3.8
203.03552	0.9
204.14949	0.7
205.05019	0.8
221.04622	1.2
221.06728	6.4
223.06129	1.2
241.05161	2.9
245.06557	0.9
263.07834	1.8
269.04532	1.4
284.03372	2.3
298.04868	4.3
299.05594	4.7
323.09985	8.5
324.10501	1.1
343.11868	47.2
344.12308	4.1
353.09048	0.9
357.26553	1.5
385.12720	1.1
408.14719	0.8
438.27908	0.8
445.29651	1.6
462.29810	0.9
487.32919	1.8
497.96024	0.7
505.21274	0.9
505.33917	13.7
506.34305	1.3
519.32184	1.2
526.46075	0.8
629.18866	1.3
667.16650	2.5
667.29907	4.4
667.39240	73.8
668.39380	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	667.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10910	0.9
57.03452	1.3
57.04365	1.1
59.01380	9.9
60.99297	0.8
61.98835	10.0
67.98136	0.9
69.03425	1.4
70.42313	2.0
71.01378	6.8
72.99308	1.4
73.02930	4.3
83.01401	1.8
85.02965	5.6
89.02452	1.9
93.03466	1.8
95.01355	2.4
97.06588	1.1
99.00872	1.4
101.02455	4.7
107.05030	0.9
108.02187	50.1
108.02934	2.4
109.02981	24.0
113.02422	2.8
117.03451	3.6
119.03499	1.3
121.02986	4.6
123.00852	3.1
123.04552	5.2
125.02422	2.6
133.02913	1.3
135.04521	3.1
137.09735	2.2
139.04015	1.3
139.11293	3.7
145.02942	2.2
147.04532	0.9
149.02428	1.9
151.00340	1.3
151.04015	2.9
152.01164	65.7
153.01962	19.6
161.02458	7.0
161.04520	1.4
163.04019	2.4
165.01930	2.6
165.05554	1.6
167.03474	2.0
167.10757	1.4
169.01389	1.9
177.01962	1.2
181.05174	1.2
185.11853	3.2
201.11279	1.9
208.90826	1.1
213.11340	1.5
217.05029	1.2
243.02950	1.2
255.03108	2.2
267.06586	1.5
268.07410	1.1
271.02496	5.1
289.21570	1.2
299.05530	2.9
300.02777	7.7
301.03302	2.3
307.22675	4.2
315.07266	10.0
315.15787	0.9
325.23898	4.1
333.20743	1.2
343.12003	1.2
351.21695	1.1
371.24347	2.0
403.19547	1.3
431.14844	1.1
445.29507	9.6
446.29956	1.6
463.08731	6.0
505.18677	16.0
506.18994	2.8
545.06104	1.1
607.38300	5.8
608.38617	1.7
623.21112	1.7
623.30341	2.0
637.36633	1.2
667.29651	100.0
668.30273	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	667.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62065	5.1
53.89194	5.3
54.13674	5.5
57.94439	6.2
63.88966	6.0
70.96820	8.2
76.49024	5.5
82.97087	6.2
83.37199	5.5
90.69745	6.2
137.02533	5.6
151.04030	7.2
162.24730	6.6
165.09201	8.2
175.17075	6.7
190.96141	6.0
195.06664	18.5
207.06683	67.7
209.08220	24.8
221.08258	100.0
223.09857	8.6
224.43271	5.7
235.09793	43.1
253.21811	6.2
317.93710	6.9
417.15726	12.5
431.16983	59.5
667.31281	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	667.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73035	1.1
58.33501	0.9
58.67482	0.9
60.11874	1.0
95.05014	1.2
107.05067	2.3
109.02943	2.5
111.04518	4.6
113.48544	1.1
123.04498	3.5
123.08237	1.6
125.02454	3.2
125.06129	5.3
137.02440	15.1
139.03993	2.4
151.04013	13.8
151.07663	10.4
160.55257	1.0
163.00345	3.2
165.09244	11.2
177.01924	2.3
179.10823	3.0
181.08743	2.2
189.05580	6.4
193.08685	2.4
195.06644	26.3
196.07054	1.4
203.07135	4.5
205.88173	1.0
207.06630	66.7
208.06956	2.7
209.08188	31.1
210.08604	1.8
217.08754	1.3
221.08203	100.0
222.08531	4.6
223.09743	11.6
235.09773	44.8
236.10083	1.8
239.28447	1.0
249.11185	2.1
261.11365	2.9
263.12885	2.1
267.65964	1.0
275.12851	2.6
291.47598	1.1
417.15674	8.8
431.17004	36.0
432.17535	4.5
445.22372	2.2
485.21771	3.2
515.39288	1.1
667.31189	10.7
668.31836	1.6
676.64557	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	8.8
63.90374	0.8
77.32993	0.8
98.22556	1.3
113.05634	0.9
116.92820	0.9
133.02972	15.5
134.03716	2.9
135.04514	4.6
136.74864	0.8
137.02412	1.6
149.47318	0.9
161.02457	41.8
162.02826	1.6
167.20686	0.9
178.02592	1.0
179.03555	2.2
228.80997	0.8
232.95110	0.9
277.14365	0.8
380.81409	1.0
587.37585	1.1
631.36426	100.0
632.36823	23.9
635.81281	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	11.9
65.96505	1.0
68.06326	1.1
68.06699	1.0
69.54713	0.9
70.59113	0.9
80.11909	1.0
80.64066	1.0
85.94199	0.9
98.21741	2.0
116.92895	1.6
117.03520	1.2
123.04539	2.5
125.02443	1.2
133.02974	26.4
134.03860	1.5
135.04541	8.5
137.02458	2.3
146.30054	0.9
159.06853	1.0
161.02463	100.0
162.02753	5.1
179.03586	1.7
183.99207	1.0
194.33636	0.9
200.38029	0.9
239.64648	1.0
243.06644	3.4
328.51987	0.9
395.32993	2.2
455.14148	1.0
587.37463	40.4
588.37872	8.2
605.38885	1.1
631.36438	100.0
632.36755	21.2
667.38043	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	667.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.5
65.00346	0.5
68.99190	3.7
69.72973	0.6
70.53374	0.4
81.03451	3.1
83.01380	0.6
85.06605	1.2
87.04492	0.4
88.42815	0.4
107.01376	0.5
108.21066	0.5
109.06570	2.3
111.04537	4.0
113.09708	2.4
121.14648	0.5
125.02465	3.3
125.33359	0.5
127.07678	0.6
128.98506	0.6
133.06676	0.8
135.08188	0.5
136.05280	0.9
138.92136	0.5
151.07654	30.2
152.07976	0.9
163.11169	0.6
177.05574	1.5
179.07126	1.4
181.08710	11.6
182.08910	0.7
195.06633	100.0
196.06946	4.9
205.12346	2.0
249.11336	23.1
250.11652	1.4
256.98120	0.5
303.15903	0.9
431.20746	55.1
432.21085	5.6
441.85037	0.5
485.25552	2.0
485.32248	0.5
532.55536	0.5
619.62354	0.6
667.24725	0.5
667.34760	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	667.349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16840	0.4
69.20424	2.7
69.72966	0.6
81.03463	3.5
83.01366	0.6
85.06577	0.6
87.04508	0.5
93.80258	0.4
94.44669	0.4
109.06594	2.2
109.09676	0.3
111.04533	3.4
113.09733	2.4
125.02461	3.0
127.07654	0.4
127.56681	0.3
129.56537	0.4
132.50407	0.3
133.06644	0.9
135.08159	0.5
136.05298	0.8
136.55136	0.4
151.00426	0.8
151.07658	26.1
152.01108	0.4
152.07996	1.1
153.05637	0.4
177.05592	1.5
179.07166	1.3
181.08708	11.4
195.06630	100.0
196.07001	4.9
203.10823	0.9
205.12346	2.1
249.11331	23.7
250.11649	1.6
431.20715	76.3
432.21048	11.9
485.25323	2.1
486.25906	0.5
550.43658	0.4
667.34888	3.8
668.35498	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87866	0.4
53.62249	0.4
55.01881	0.6
55.24039	0.4
57.03435	0.6
58.00602	1.0
59.01382	34.2
69.16885	3.2
69.17207	0.8
71.01383	17.6
72.99306	1.3
73.02961	0.5
83.01397	1.7
85.02950	3.8
87.00890	1.0
89.02446	12.5
95.01387	1.2
96.95986	0.6
98.22540	0.9
101.02447	11.8
111.00911	0.6
113.02455	5.9
119.03510	4.4
121.02933	1.0
123.04556	0.7
125.02480	1.1
135.04478	0.5
135.36357	0.5
146.11626	0.4
151.00435	0.5
154.54921	0.4
169.01393	2.0
210.19353	0.6
256.07239	0.5
260.05499	0.4
276.62027	0.5
284.10590	0.6
306.83847	0.5
308.67435	0.4
313.07108	0.9
343.11853	7.6
344.12256	1.4
383.29501	0.9
385.15353	0.4
459.12866	1.1
459.31219	3.5
460.31381	0.9
461.32947	1.0
475.12393	0.6
505.17279	4.0
505.31848	1.2
506.17496	0.8
515.17462	0.7
545.12482	0.5
595.59515	0.5
667.18787	2.9
667.37006	100.0
668.37354	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03257	0.4
59.01386	0.4
61.98817	0.7
69.41797	0.8
69.42206	1.8
72.41539	0.5
88.98822	0.7
93.03481	1.0
102.19787	0.4
103.52864	0.3
105.03419	0.7
108.02187	0.6
121.02979	2.4
123.04559	2.2
126.36800	0.5
132.02171	1.6
133.02965	23.1
134.03801	3.8
135.04553	10.1
136.01674	3.8
136.04842	0.7
137.02458	8.7
139.04004	1.7
149.02443	5.5
149.06084	1.3
151.04008	4.5
153.05589	0.5
160.01672	1.5
161.02457	62.5
162.02837	2.9
175.03978	2.7
177.01929	0.8
178.02715	0.6
179.03459	3.0
187.03673	0.4
193.01547	0.5
242.29323	0.4
455.31741	1.4
467.31491	0.7
469.33490	1.2
487.34277	2.5
499.30658	0.7
513.32263	0.8
587.37207	0.5
605.38623	0.7
622.01727	0.6
623.39185	0.7
637.37390	4.7
638.37799	1.0
649.37433	7.9
650.37964	1.2
667.38556	100.0
668.38824	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	667.3857
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98821	0.4
67.14228	0.3
69.18067	1.6
73.02936	0.8
86.55518	0.3
87.04494	0.3
93.03476	0.4
94.79100	0.3
105.03505	0.5
107.05018	0.3
121.02975	0.7
123.04522	0.5
132.02188	1.0
133.02968	26.2
134.03838	2.4
135.04535	7.3
137.02460	2.6
139.04048	0.9
149.02434	0.9
161.02454	70.8
162.02812	3.1
178.02676	0.8
179.03514	2.2
230.88441	0.3
286.83524	0.3
487.33945	0.4
622.02484	0.3
623.38849	0.5
637.37225	0.3
647.35468	0.3
649.37610	0.6
667.38531	100.0
668.38867	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	667.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36175	2.6
57.15503	3.1
61.98817	5.1
71.30211	3.1
85.18570	2.9
96.96023	3.8
109.02955	7.3
116.92899	7.6
119.01282	2.5
121.02982	5.2
123.04497	2.6
133.02982	25.4
134.03787	5.2
135.04547	12.2
137.02435	19.4
139.04034	5.3
149.02434	8.8
153.01923	3.3
161.02444	59.3
164.15408	2.8
174.04747	2.8
177.01942	5.0
178.02771	9.3
178.99974	2.9
179.03560	7.0
180.25549	2.7
207.66325	2.6
301.14624	5.8
381.21100	3.5
383.22348	5.4
451.28369	19.2
468.10019	3.0
513.71118	2.9
517.33411	11.3
531.35278	5.2
532.35468	3.9
564.34357	16.6
565.35236	4.1
575.35028	3.8
619.36401	91.1
620.36841	19.3
649.37408	8.5
667.38544	100.0
668.38879	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	667.3914
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83546	0.8
55.01871	2.6
55.26170	0.9
57.03448	2.5
58.00595	1.6
59.01382	55.8
61.98841	4.1
71.01388	48.3
71.05063	1.0
71.29536	0.9
72.01707	1.0
72.99313	3.2
73.02946	7.7
73.85755	0.9
83.01392	6.3
85.02954	18.8
86.00092	0.9
87.00885	4.3
89.02447	34.6
91.05545	4.1
93.03494	1.9
95.01401	5.2
96.96017	18.0
97.02982	1.8
99.00899	3.6
101.02450	34.2
102.02789	1.2
107.05030	13.4
108.02187	3.5
109.02977	3.3
111.00906	2.2
113.02453	18.0
119.03514	13.7
119.05061	2.2
121.02962	3.0
123.00928	1.1
123.04514	1.4
124.01746	1.4
125.02457	9.9
131.03575	1.8
133.02913	0.9
135.04535	57.8
136.04881	3.0
137.02461	1.7
137.06096	6.9
139.11275	1.5
143.03499	3.4
145.03046	1.1
148.05342	5.2
149.04921	1.1
149.06104	6.9
151.04065	1.1
152.01187	1.4
153.01929	1.2
159.03050	1.6
161.02484	2.6
161.04549	7.3
161.14462	0.8
163.04018	1.8
163.07674	2.9
164.04784	5.2
167.03508	1.0
169.01482	1.8
177.05582	1.0
179.03485	0.9
179.04207	0.9
179.05630	6.7
179.07196	5.0
181.05087	11.0
182.05415	1.0
183.10368	1.2
184.86066	1.0
193.05078	1.5
195.06699	2.8
221.06702	4.6
230.05240	1.1
255.03152	1.1
263.07834	1.5
269.04797	1.2
298.04794	1.2
299.05682	2.3
323.09976	7.2
343.11844	21.8
344.12442	2.6
357.26697	1.9
359.15063	4.6
391.41519	1.0
392.13644	0.9
445.29865	1.1
461.29147	2.0
462.29623	3.9
466.50745	0.9
487.32718	2.3
505.33929	20.7
506.34726	1.4
520.06049	0.9
667.39240	100.0
668.39679	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00588	3.9
59.01384	84.6
61.98840	2.0
69.34282	10.7
70.61071	1.6
71.01388	66.9
71.48581	1.9
72.99306	4.9
81.15619	1.6
83.01392	2.4
85.02969	10.0
87.00879	4.7
89.02451	100.0
89.61947	2.1
95.01393	4.6
96.96014	2.0
101.02454	34.8
113.02450	27.8
119.03513	33.9
125.02448	6.1
131.03546	4.1
143.03477	5.6
149.04506	4.2
161.04556	8.5
165.05577	2.4
179.05663	24.6
179.07152	3.3
195.06601	2.8
218.05785	2.4
228.61330	1.7
233.08165	4.6
239.97198	2.1
249.52278	2.0
280.39758	2.1
344.08197	2.7
371.14883	2.7
445.61417	1.8
669.23706	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	669.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.5
59.01364	1.4
61.98812	1.0
63.02400	0.6
65.00327	2.1
67.07622	0.4
69.08675	1.7
69.09089	1.6
71.01361	0.8
83.01377	1.4
84.95139	0.7
87.37502	0.5
92.45476	0.4
96.96011	0.5
98.21836	1.1
101.02475	0.4
107.01384	2.8
108.02171	1.9
109.02958	1.4
121.02977	2.2
123.04531	0.5
125.02474	1.2
135.00926	1.0
148.01666	1.7
149.02377	1.0
150.03271	0.7
151.00385	11.7
152.01045	1.0
163.00381	2.5
163.04083	0.5
164.01129	0.8
164.04762	0.6
165.01944	0.5
169.01511	0.8
175.00348	0.7
175.04007	0.5
176.01157	1.1
178.99893	5.2
182.03526	0.4
187.04027	1.1
190.02730	0.7
191.03537	2.1
199.04004	1.2
201.01930	0.6
203.03526	0.9
205.05003	1.1
209.04472	0.6
211.04039	1.4
213.02066	0.6
215.03499	1.0
216.04295	1.1
226.02707	1.9
227.03508	4.3
243.02975	15.4
244.03662	1.5
245.04567	1.5
254.02258	2.4
255.02989	32.0
256.03391	2.8
271.02487	70.4
272.02914	7.3
273.04004	1.0
283.02484	1.1
299.02014	3.2
300.02765	100.0
301.03464	38.1
302.03830	2.1
314.04373	1.0
315.05118	6.0
353.08737	1.8
373.26059	1.1
445.07813	0.6
463.08862	46.9
464.09116	6.1
477.10635	4.0
478.10684	0.7
669.14575	41.5
670.14972	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	669.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61559	0.8
59.01386	13.0
61.98835	32.8
63.02404	1.1
65.00316	2.6
68.89530	0.9
68.92864	1.0
71.01373	9.0
71.85704	0.8
72.99288	1.3
73.02940	3.5
74.79528	0.9
81.03449	1.0
81.95350	0.9
83.01390	2.5
83.05061	1.2
85.02956	3.8
87.00887	2.0
88.98824	2.3
89.02442	7.2
93.03481	2.0
95.01417	1.9
98.21731	2.1
99.00861	1.1
101.02438	6.0
107.01401	4.6
108.02194	11.0
109.02981	7.8
113.02458	4.8
116.92847	3.5
117.24516	0.9
119.03500	3.6
121.02986	8.2
122.03777	1.7
122.43959	1.1
123.00877	2.2
123.04541	9.1
124.01677	1.5
125.02455	5.7
125.09755	1.0
133.02986	2.3
134.03783	1.4
135.00916	1.6
135.04529	6.0
137.02466	3.0
139.04024	1.8
143.03590	1.0
145.02989	2.0
147.04552	1.7
148.01712	2.4
149.02444	7.1
149.06126	1.5
151.00375	18.2
151.04016	3.1
151.87796	1.0
152.01192	10.3
153.01929	3.4
153.05568	3.7
161.02448	4.0
161.04556	2.5
163.00371	3.7
163.03978	2.2
163.07684	1.3
164.04846	7.2
165.01933	1.2
165.05566	3.4
167.03525	6.3
169.01447	3.1
171.10297	1.4
177.05644	1.2
178.99860	8.1
179.05632	1.9
179.07158	4.6
179.10902	1.1
182.14484	1.1
183.04427	1.1
190.02762	1.8
191.03468	1.2
193.08665	1.5
195.06654	1.6
205.05057	1.5
207.10228	1.2
208.03722	1.2
208.96758	1.1
209.11867	2.5
221.08270	1.9
223.06129	3.0
225.11333	2.4
226.02744	2.3
227.03496	3.7
229.05066	1.3
237.07626	1.7
239.07184	1.2
243.02968	13.2
245.04521	1.6
254.02193	3.1
255.03014	30.6
256.03424	1.6
265.07187	5.3
267.06680	2.9
268.07263	2.3
271.02484	64.3
272.02924	7.9
283.02466	2.4
283.09735	1.6
294.09180	1.3
295.08072	2.6
300.02774	100.0
301.03543	89.4
301.06427	1.8
301.10724	1.4
302.03818	6.2
309.11276	3.9
310.11975	1.2
312.10132	1.3
325.09357	4.4
327.12338	4.3
357.26404	6.2
371.24399	3.7
373.25626	1.3
385.11295	2.0
387.23853	1.4
417.21103	2.0
432.16071	2.1
446.29434	1.6
447.18237	1.2
447.30988	4.4
463.08881	47.5
464.09125	4.9
471.31158	24.7
472.31622	2.0
474.17184	1.1
489.19189	27.4
490.19647	3.4
507.20264	7.8
507.33728	2.7
508.20139	1.3
609.35266	1.3
625.19293	29.4
626.19562	4.9
669.18304	13.0
669.31360	16.5
669.40680	3.8
670.18640	4.0
670.30682	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	669.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77054	1.2
59.01143	1.1
59.01385	15.1
61.98837	8.9
71.01386	10.2
71.04993	1.3
73.02946	3.0
78.68023	0.9
81.03459	1.7
83.01369	1.1
85.02940	4.9
89.02453	6.0
93.03463	2.0
95.01402	2.9
97.02966	1.1
101.02448	6.0
107.05010	1.5
108.02181	49.3
109.02966	36.4
111.04514	1.4
113.02465	5.1
116.92867	1.3
119.01369	1.3
119.03487	1.9
119.05010	1.0
121.02977	5.2
123.00852	1.8
123.04531	5.7
125.02418	2.8
134.03712	1.5
135.00871	1.3
135.04521	4.2
137.02446	2.8
139.04025	2.7
139.11314	1.2
145.02956	2.1
147.00935	1.5
149.02452	25.6
150.02989	1.1
151.03973	3.2
152.01160	53.3
153.01968	13.7
153.05498	1.6
161.02492	1.6
161.04530	1.6
163.03998	14.4
164.04811	29.9
165.01949	1.3
165.05594	5.8
166.02705	1.2
168.08830	1.1
173.02432	1.8
175.00392	7.9
177.01917	1.2
177.05565	3.9
178.06171	1.7
179.03436	3.2
179.07114	9.1
181.05098	1.8
185.11896	1.8
188.04813	1.8
190.02721	28.0
191.03496	13.0
192.04126	1.7
193.01424	3.4
193.08694	6.4
203.07146	4.3
204.04274	1.3
205.05077	32.7
206.05836	26.2
207.02968	9.0
207.06227	2.1
208.03766	9.4
209.04388	1.1
209.08203	1.9
212.08224	1.1
219.06685	1.2
221.08231	25.9
222.05331	4.1
222.08641	1.5
223.06120	52.6
224.06436	2.1
229.23083	1.3
235.02350	2.4
237.07687	11.0
239.07146	1.7
240.07805	1.7
243.15916	6.8
247.06055	3.7
250.04814	11.6
251.07062	1.6
253.05043	1.3
265.07184	100.0
266.07584	4.0
267.06628	5.1
268.07318	12.1
269.07846	2.2
283.09799	12.2
284.09946	1.6
294.51938	1.1
295.08261	40.4
296.08585	2.9
300.02649	1.2
325.09296	56.1
326.09702	3.5
367.10199	2.0
371.24423	13.0
373.26019	2.5
385.11417	16.4
386.11749	1.7
447.31183	3.6
471.31104	2.5
507.20074	1.7
583.24432	1.2
626.28741	1.3
628.38324	1.1
669.31177	86.1
670.31427	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	669.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99614	1.9
59.01381	2.1
60.28012	0.9
63.39708	1.0
69.20708	7.1
71.01390	5.5
74.99107	6.5
83.01418	1.1
83.47306	0.9
85.02954	1.9
86.16441	1.1
89.02485	1.4
101.02462	2.8
102.98621	4.5
108.02215	1.3
109.02938	1.4
109.09909	1.1
113.02484	1.8
120.99665	100.0
122.00053	1.7
123.00858	2.2
125.02458	2.6
135.57527	1.1
137.02448	2.6
138.03217	5.8
149.02484	3.4
150.03230	3.3
151.00441	1.8
153.05630	3.2
161.04599	3.6
162.04858	1.3
165.05574	3.7
166.06398	3.1
169.01373	1.2
179.05756	1.3
181.08736	2.4
188.56013	1.0
195.06631	3.0
201.05536	1.4
228.04301	1.2
240.04300	1.4
243.06595	1.9
255.06538	1.1
268.03738	3.6
269.04535	1.8
270.99042	1.1
271.02438	1.6
283.06219	11.5
284.03342	1.7
284.06693	1.8
294.05408	1.9
298.08456	4.6
298.98483	1.2
299.02429	1.3
299.05606	2.6
300.99225	1.7
312.99811	2.0
314.00543	3.9
315.00812	1.7
325.07263	5.6
325.10754	1.6
327.12427	1.5
328.02106	1.2
328.09070	1.0
329.02863	2.2
329.10437	1.5
330.03467	1.8
331.03665	1.9
339.12332	2.8
340.09512	17.8
340.13248	2.4
341.10172	2.4
354.14679	1.7
355.11893	25.3
356.12222	2.5
370.14233	19.4
371.14984	8.4
385.16571	54.3
386.17001	4.7
396.88818	1.2
419.15097	1.6
488.00504	1.1
489.19528	2.0
510.72699	1.1
539.22766	2.2
669.22522	28.5
670.22308	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	669.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55735	1.1
57.03432	1.8
59.01383	19.6
61.29391	1.2
68.16295	1.2
70.50951	1.2
70.71208	1.2
71.01380	9.3
72.66145	1.4
73.02942	3.4
74.99108	8.2
82.95400	1.3
83.01355	1.2
85.02962	4.3
89.02448	3.3
93.03460	1.3
96.96018	1.9
101.02467	5.6
102.98669	2.0
108.02238	1.6
109.02942	2.0
113.02458	5.2
120.99664	100.0
121.99938	2.1
123.00838	2.0
123.04544	1.2
125.02467	4.7
137.02437	1.6
138.03255	5.3
139.11270	10.5
151.00298	1.9
153.03976	1.5
153.05591	3.8
161.04573	7.4
165.05663	1.4
167.03603	1.3
169.01479	2.7
177.02008	1.3
181.12363	5.2
183.10284	6.7
188.85417	1.2
193.39088	1.2
195.03351	1.5
201.05533	2.8
209.50247	1.3
216.07852	2.8
228.04135	1.4
240.04346	1.5
243.06635	4.0
268.03751	4.6
269.04575	3.6
271.02496	3.4
283.06125	15.7
284.03357	3.0
284.06592	2.6
298.08423	6.4
298.98547	2.3
299.01926	4.7
299.05600	4.2
300.02713	3.0
325.07220	6.3
325.10590	1.6
329.10425	2.0
339.12418	3.1
340.09534	22.8
340.13141	2.5
341.09875	3.0
354.14569	2.1
355.11887	26.8
355.15454	1.3
356.12335	3.8
370.14194	27.7
371.14700	6.2
385.16565	86.2
386.16824	7.6
609.29364	2.6
625.32220	1.9
651.30054	3.0
669.05383	2.5
669.21790	35.2
669.31372	47.8
670.21417	5.8
670.32587	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	669.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09636	1.1
52.80722	1.0
54.66294	1.2
57.03448	1.5
59.01384	18.0
61.98836	23.4
65.00276	1.0
70.93250	1.2
71.01389	12.6
71.05019	1.8
73.02953	3.0
81.03444	2.1
83.01397	3.6
85.02960	5.5
87.00916	1.5
89.02460	7.0
92.55602	1.3
93.03457	2.1
95.01406	2.3
96.96043	1.6
97.02907	2.0
100.35139	1.2
101.02444	8.8
107.05031	3.5
108.02177	64.7
109.02972	47.6
109.03716	2.8
110.03196	1.2
113.02455	5.3
119.03495	2.2
119.04997	1.7
120.45304	1.1
121.02952	6.3
123.00867	2.9
123.04542	11.5
125.02455	3.6
125.21784	1.2
134.03783	2.3
135.04514	4.8
137.02455	2.3
139.04053	5.9
148.05182	1.3
149.02449	26.5
149.06099	2.1
151.04005	3.9
152.01161	65.6
153.01953	23.3
153.05573	3.7
161.02460	2.5
161.04594	1.7
162.03230	2.0
163.04025	13.1
164.04807	25.4
165.01945	3.1
165.05524	4.9
166.02713	1.9
167.03467	2.4
171.10268	1.6
173.02467	1.9
175.00360	8.5
176.01288	1.1
177.05563	5.4
178.06297	2.3
179.03482	4.6
179.05688	1.7
179.07101	10.0
181.05078	2.0
188.04820	1.3
189.01929	1.6
190.02718	29.1
191.03490	14.1
193.01369	3.8
193.08723	17.4
194.08992	1.2
203.07076	3.4
204.04349	1.6
205.05067	28.5
206.05803	24.0
207.03029	9.2
207.10233	1.4
208.03725	8.8
209.04272	1.7
209.08243	2.5
209.11798	3.5
212.08466	1.8
221.06346	1.9
221.08234	23.9
222.05344	3.1
222.08475	1.6
223.06107	51.8
224.06487	3.8
225.11452	1.8
227.12842	2.0
232.03661	1.3
235.02510	2.8
237.07680	8.3
239.07086	1.7
243.15921	3.8
247.06136	2.5
250.04823	8.3
251.07196	2.8
253.08455	1.2
265.07169	84.8
266.07602	6.1
267.06641	5.9
268.07376	10.5
269.07916	1.8
273.07758	1.6
283.09763	10.4
295.08246	35.0
296.08649	2.6
300.02591	1.2
325.09277	45.4
326.09521	5.3
367.10468	1.6
371.24402	15.2
373.25891	3.8
385.11417	18.0
386.11713	2.1
447.31085	8.4
471.31039	6.2
489.19342	1.8
507.19684	1.6
533.88208	1.3
609.36420	1.3
625.28906	4.0
626.28735	1.7
669.20636	3.9
669.31171	100.0
670.20007	1.5
670.31427	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	669.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03470	0.8
59.01382	11.9
61.98837	12.3
64.62576	0.9
71.01390	6.2
71.05077	0.8
73.02938	2.9
83.01420	1.3
83.04986	0.8
85.02966	3.9
87.04534	1.5
89.02465	3.0
93.03454	1.3
95.01376	2.0
96.96025	3.3
99.00862	1.0
101.02468	4.3
105.97137	0.8
108.02177	54.4
109.02248	1.8
109.02965	33.5
109.06654	0.8
109.62914	0.8
111.00919	0.8
113.02470	3.6
116.92868	4.4
119.03491	1.6
121.02979	2.4
122.03757	1.3
123.00878	1.8
123.04533	2.5
124.01647	1.0
125.02457	3.1
135.04553	1.9
137.02448	2.1
137.09756	1.5
139.11328	1.1
149.02412	1.1
149.06099	1.7
151.04027	2.7
152.01157	61.3
153.01949	16.0
153.09253	0.9
160.03549	0.9
163.03999	1.5
164.04762	2.5
165.01909	1.8
169.01418	2.1
171.10434	0.8
173.05940	0.9
179.05670	0.9
179.07164	3.0
213.07600	0.8
217.08675	1.6
228.72084	1.0
297.11346	1.1
301.10733	1.0
304.52197	1.0
309.11548	1.2
315.07040	5.4
316.07666	0.9
325.10870	2.1
325.14471	1.7
327.12433	1.0
327.25797	0.8
340.13223	1.8
344.12573	1.3
355.15530	3.8
371.24286	5.5
372.24750	0.9
375.10965	0.9
442.05737	1.1
447.31137	40.0
448.31503	3.5
461.29294	1.6
465.32074	2.1
471.31198	15.9
472.31747	2.3
480.19571	0.9
489.19525	1.9
507.20346	14.1
507.33499	1.2
508.20630	2.4
514.55939	0.8
669.31360	100.0
670.31683	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	669.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	0.9
59.01380	15.7
61.98832	19.5
71.01379	8.6
71.05014	1.6
73.02943	3.6
74.80437	0.8
78.65455	0.9
81.03479	1.5
83.01379	2.7
85.02962	4.9
87.00861	1.1
88.98790	1.6
89.02449	2.7
93.03456	1.9
95.01385	2.6
98.22530	2.5
101.02451	5.3
108.02179	61.2
109.02967	40.1
110.03336	1.0
113.02450	2.7
116.92829	1.0
119.03536	1.1
120.99601	1.3
121.02953	1.8
123.00880	2.3
123.04550	9.2
125.02463	1.9
125.09750	1.4
134.03677	1.3
135.04536	1.8
136.01645	1.9
139.03995	3.8
149.02434	4.4
149.09673	1.3
151.00417	1.0
151.04001	3.5
152.01160	58.2
153.01964	21.6
153.05534	3.4
161.04558	2.0
163.04070	3.2
164.04842	4.9
165.01918	2.2
169.01447	2.5
171.10315	2.1
177.05540	1.5
179.03476	1.1
179.07101	2.0
190.02692	3.8
191.03476	2.1
193.08711	18.4
205.05067	4.7
206.05774	3.1
207.02879	1.4
208.03706	1.7
209.11821	1.7
221.08192	3.4
223.06168	7.0
227.12881	1.4
237.07736	1.1
250.04755	1.5
265.07150	10.2
268.07343	1.8
281.17627	2.0
283.09839	1.9
295.08041	4.7
300.02740	1.5
301.03619	1.2
308.27301	1.1
315.07193	1.2
325.09244	5.9
341.23230	1.4
353.23300	1.1
371.24390	17.6
372.24469	1.9
373.25925	2.1
385.11441	3.4
446.29980	1.6
447.30911	9.2
471.31161	4.5
482.86353	1.1
489.19119	1.3
507.20242	2.9
609.36322	5.0
610.37231	1.2
625.28613	4.3
669.31226	100.0
670.31738	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	669.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.3
57.15524	0.4
59.01365	1.9
61.98837	4.8
67.83311	0.4
69.03454	0.5
69.79137	1.3
70.85284	0.4
71.01378	1.3
83.05045	0.5
89.02416	0.5
101.02458	1.0
104.33360	0.4
108.02180	1.9
109.02977	2.0
109.06605	0.7
121.02953	1.3
123.04549	3.7
124.01650	0.5
125.02436	0.4
135.04495	1.4
137.02415	1.1
151.00349	1.1
152.01149	1.2
153.05588	2.0
162.03329	0.4
164.04767	0.8
169.01369	0.5
197.02194	1.5
207.10274	0.5
243.02968	0.5
255.02942	1.0
267.06650	1.4
271.02509	2.3
287.20255	0.9
289.21771	0.7
294.08810	0.5
300.02899	4.1
301.03516	3.7
318.41534	0.5
337.25296	1.0
357.28067	5.4
358.28238	0.6
371.24442	1.3
397.31351	1.0
409.31021	0.6
427.32202	2.0
432.15829	1.3
447.18088	1.7
447.31006	0.8
463.09357	0.9
471.31165	100.0
472.31549	14.1
489.19385	0.8
507.20303	11.2
507.32324	0.7
508.20313	2.2
625.19275	1.5
669.32867	6.4
670.33075	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77119	0.8
61.98836	1.4
62.58269	0.7
62.96984	0.7
86.51131	0.7
97.06599	1.0
99.15701	0.7
125.09761	2.3
133.02983	11.5
134.03737	3.3
135.04538	7.8
137.02478	1.9
146.32076	0.6
161.02455	33.2
162.02817	1.2
179.03517	3.5
214.75630	0.7
306.01779	0.7
569.36792	0.9
571.37958	16.7
572.38129	3.2
585.32837	1.9
615.36914	10.8
616.37567	2.1
631.36230	2.4
633.38000	100.0
634.38300	19.5
669.42767	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	669.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.7
61.98841	10.1
62.08346	1.7
63.60956	1.5
64.65338	1.7
67.78041	1.8
83.05035	2.0
93.03457	1.8
95.05031	2.2
98.21785	3.5
99.92600	3.5
109.02940	2.4
111.04552	5.2
116.63326	1.8
116.92871	37.0
117.03475	4.9
117.92867	3.5
123.04462	2.8
125.09726	4.2
128.49542	1.5
133.02983	20.2
134.03830	2.5
135.04526	5.3
137.02451	7.6
145.02977	20.4
149.02454	1.9
155.03497	4.2
161.01108	3.5
161.02466	60.5
179.03467	1.8
255.23413	1.9
275.31561	1.7
279.14899	1.7
473.61063	1.7
589.39050	30.8
590.39337	5.7
625.39282	2.8
633.38000	100.0
634.38361	19.1
666.33362	1.8
669.27271	7.3
669.37036	8.9
669.50916	2.2
670.27228	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	669.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87249	0.9
53.36910	0.9
61.98845	1.9
69.88560	2.4
92.05032	0.9
108.22468	1.0
116.92852	1.2
121.02935	1.5
132.02159	2.0
133.02971	24.2
134.03775	4.8
135.04568	10.8
137.02493	3.1
145.02953	1.3
153.01920	1.1
161.02457	67.5
162.02788	2.0
179.03534	2.1
182.85817	1.0
231.36192	1.0
240.51982	1.2
245.36740	1.2
265.13419	1.1
265.68167	1.2
621.36591	2.5
633.38013	100.0
634.38391	18.4
669.38892	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	669.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	1.3
63.07150	1.3
66.66343	1.3
69.92890	3.4
96.12808	1.4
98.21918	1.9
108.38641	1.5
111.89995	1.3
121.02953	1.4
133.02943	12.0
134.03716	2.0
135.04547	4.3
137.02473	1.6
145.02948	3.5
147.79729	1.4
161.02457	43.3
162.02818	1.9
179.03575	1.8
191.64865	1.5
215.51527	1.5
583.64862	1.5
589.38745	5.3
633.38007	100.0
634.38324	21.2
658.43195	1.5
669.37189	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30207	0.8
55.12391	1.0
59.01384	1.0
61.98804	1.7
76.39890	0.7
95.73244	0.7
100.93700	0.7
116.22755	0.7
116.92860	1.0
118.73270	0.7
133.02969	12.4
134.03725	2.9
135.04541	7.2
137.02458	2.5
139.03932	0.9
140.56966	0.7
159.57877	0.8
161.02452	36.2
162.02818	2.0
177.86511	0.8
179.03508	2.2
181.19836	0.8
203.38074	0.7
295.63538	0.9
452.34494	0.9
569.36371	1.5
571.37878	15.0
572.38214	2.7
585.32593	1.7
615.36859	10.3
616.37158	2.6
631.36591	3.5
633.37976	100.0
634.38318	21.1
669.41418	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56505	5.3
59.01360	8.1
71.28326	7.9
71.67721	4.8
107.23238	5.1
123.04533	5.5
133.02946	19.1
135.04535	10.4
149.02457	8.8
159.04361	5.1
161.02466	66.9
164.04784	17.3
171.10297	18.5
179.07195	6.6
181.08698	23.4
183.06631	7.3
195.06529	6.1
207.06462	6.4
209.08174	5.6
219.03572	6.8
255.23198	7.6
277.21939	6.5
279.23380	15.4
311.52942	6.2
466.12430	5.8
633.37982	100.0
634.38269	24.9
651.28217	7.6
669.31470	13.8
669.45020	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	669.3561
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98816	1.7
69.29623	5.2
76.71076	0.7
111.04577	1.2
132.02223	1.5
133.02965	18.8
134.03711	2.0
135.04527	8.0
137.02477	2.0
139.04042	1.2
161.02461	62.6
162.02847	2.0
171.10379	1.0
173.02208	0.7
176.35150	0.7
178.02699	1.2
179.03482	1.8
179.07030	0.9
181.08699	1.2
209.08263	1.4
263.12747	1.3
265.94562	0.7
341.14276	1.1
497.32770	0.8
633.37970	100.0
634.38348	21.3
669.31165	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	669.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46342	0.9
57.03437	1.5
59.01371	2.7
61.98833	5.4
62.02637	0.9
67.01873	1.1
69.03453	2.0
69.35457	5.1
71.01376	2.3
73.95789	0.9
81.03458	2.3
83.05035	2.0
89.02448	1.3
93.03471	10.5
95.05046	1.1
101.02470	1.2
108.02191	17.4
109.02969	9.1
109.06621	1.8
111.04529	2.5
113.02500	1.3
116.92862	2.0
119.01389	3.5
121.02961	14.5
122.03767	3.4
123.00930	1.0
123.04530	22.6
124.04846	1.2
125.02460	2.3
125.09747	2.1
133.02977	4.6
133.06638	1.2
134.03737	1.6
135.04547	6.3
136.01686	2.0
137.02469	29.2
139.04034	28.7
139.04961	0.7
147.00908	8.8
148.01686	6.7
149.02458	58.1
150.03233	12.7
151.04016	15.1
152.04425	1.1
161.02417	3.9
162.03204	1.2
163.04010	3.2
163.11284	1.6
165.01953	19.4
165.05626	1.7
167.03531	3.2
177.01941	38.7
178.02235	2.5
189.05547	4.9
195.03003	2.7
205.08771	1.3
207.10275	4.1
209.11882	7.0
211.13358	1.2
217.05034	12.9
218.05446	1.6
219.06554	2.0
223.09752	3.0
223.13387	1.9
225.11336	3.1
235.08362	1.1
271.02316	1.3
271.09769	2.8
284.06848	1.3
297.11212	1.3
299.09003	1.1
300.02914	1.4
311.09589	1.6
313.11069	1.3
325.10770	3.3
341.10303	21.0
342.10666	2.4
343.11755	2.5
411.32919	1.7
441.30219	1.4
455.31674	8.3
456.32181	1.0
471.30634	1.4
473.32800	7.3
474.33224	1.9
499.30417	3.1
501.32169	8.7
502.32785	1.1
621.34479	9.8
622.34662	2.1
623.35730	1.2
625.27875	1.4
639.35437	4.0
651.35492	100.0
652.35944	20.3
669.22339	4.6
669.37561	13.1
670.23157	1.7
670.36194	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	669.3861
Annotation	Ajugasalicioside F
Peak:m/z	Relative Intensity
57.03437	0.7
59.01370	1.2
61.98820	1.5
63.40237	0.4
70.23064	1.2
70.23396	0.7
70.99597	0.6
71.01402	0.8
85.02960	0.8
99.04502	0.8
109.03004	0.5
120.99651	3.1
121.02954	0.5
123.00878	0.8
123.04497	0.6
125.02477	0.9
135.04544	2.9
135.08133	0.6
138.03273	2.9
149.06099	5.6
150.06880	41.3
151.07327	2.3
153.01932	0.7
153.05600	5.2
157.08704	1.1
158.03725	1.6
161.02438	4.4
161.06078	0.5
161.09749	1.1
163.02760	0.9
163.04036	8.6
163.07671	8.9
164.08441	5.1
176.04805	8.1
176.08430	1.5
177.05313	0.6
178.06383	6.0
178.09970	2.4
179.10796	12.6
180.11087	1.0
191.07149	13.2
192.07425	0.6
193.08688	3.3
194.00510	0.6
209.08168	1.2
210.03584	1.6
225.05930	19.8
226.06213	2.0
268.07855	0.6
279.23483	0.6
280.07529	1.5
281.21307	0.6
282.09094	0.6
292.07364	0.8
295.09753	2.9
307.09692	0.6
309.07800	0.5
310.08514	1.2
313.07581	8.5
313.10876	1.1
314.07852	0.8
325.10840	2.0
325.23856	1.1
327.21881	4.3
387.11273	2.2
415.28357	0.6
428.29401	1.5
446.30380	10.4
447.30930	1.5
461.32782	9.8
462.33115	1.7
475.12805	6.6
476.13196	1.2
488.31714	2.3
489.32306	2.3
506.32620	1.7
507.33301	29.1
508.33633	3.9
576.57312	0.5
609.22321	0.7
621.21295	1.2
633.21210	1.3
669.38623	100.0
670.38910	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	669.3866
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	16.7
61.98835	2.6
71.01382	2.6
71.29597	0.3
72.99303	0.4
73.02930	0.8
83.01360	0.6
85.02944	1.2
87.00894	0.3
88.98802	0.3
89.02451	1.4
93.03469	0.4
95.01434	0.2
96.95998	0.5
97.02984	0.3
101.02462	2.1
108.02193	1.0
109.02953	0.9
112.26919	0.3
113.02462	1.4
116.92822	0.3
119.03490	1.3
121.02979	0.3
121.38367	0.3
123.00986	0.3
123.04530	0.5
125.02459	1.2
135.04546	0.3
137.02483	0.5
144.16095	0.3
151.04021	0.5
152.01158	0.7
161.02446	0.4
161.04533	0.7
162.04816	0.3
164.04716	0.5
165.05547	0.5
169.01254	0.5
179.03537	0.5
195.06654	0.3
209.08228	0.4
244.45677	0.3
271.02448	0.5
299.99094	0.8
300.02542	0.5
300.99860	2.1
301.03519	0.7
302.00006	0.4
341.06461	0.3
369.28085	0.4
399.28793	0.9
401.30594	2.9
402.31140	0.4
403.32175	1.0
447.31161	100.0
448.31503	14.8
461.32932	1.4
463.08878	0.3
471.31128	1.0
489.32486	0.4
507.19989	0.5
511.41684	0.3
609.38196	0.6
623.37775	1.7
624.38031	0.4
669.15186	0.8
669.30396	1.4
669.41730	1.4
670.15405	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73215	0.3
59.01381	17.3
59.32109	0.3
60.99302	0.3
61.39294	0.3
61.98842	0.4
65.11353	0.3
67.68817	0.3
68.99348	2.3
68.99774	1.0
71.01383	1.6
72.99314	0.4
73.02940	0.4
83.45415	0.3
85.02959	0.5
87.00903	0.5
88.98815	1.5
89.02471	1.1
96.96026	1.7
98.95601	1.3
101.02457	1.3
111.00907	1.8
113.02473	0.9
119.03487	1.2
123.00837	0.5
125.02457	0.4
130.73401	0.3
133.02985	1.3
135.04530	1.2
149.06143	0.4
161.02446	4.0
161.04523	0.5
164.04848	0.8
165.05681	0.5
169.01392	0.5
177.05632	0.3
179.03529	0.8
182.40425	0.3
209.08136	0.3
318.10144	0.3
341.94229	0.4
348.24438	0.4
373.26135	0.5
373.31787	0.4
389.25436	0.4
399.29117	0.4
401.30817	2.0
403.32587	0.8
441.47882	0.4
447.31186	100.0
448.31564	14.8
461.32733	0.9
489.16141	2.1
489.32092	0.6
507.19177	0.3
528.61353	0.4
609.35510	0.5
669.24237	1.3
669.38104	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82106	1.3
59.01377	5.6
61.98847	6.9
69.00105	10.0
71.01378	5.9
80.92004	1.3
83.05009	1.7
85.02963	1.5
89.02470	2.8
93.03468	12.1
95.01389	1.8
97.02953	1.8
101.02461	1.9
103.14728	1.2
108.02176	16.4
109.02996	6.0
109.06617	3.3
109.56921	1.3
110.80517	1.3
113.02472	2.3
113.29256	1.2
116.92901	1.7
119.01387	1.5
121.02956	16.6
122.03773	4.8
123.00899	1.5
123.04536	26.0
124.01711	2.5
124.04862	1.9
125.09770	1.3
133.01418	1.5
133.02998	3.7
134.03773	3.4
135.04530	11.5
136.01712	1.6
137.02467	14.3
139.04024	23.6
139.05023	1.8
140.04417	2.0
145.02939	1.5
147.00873	1.9
148.01683	6.3
149.02451	88.0
149.06139	2.5
150.03058	4.0
151.00409	1.3
151.04002	7.2
159.04626	1.5
161.02489	2.3
162.03142	2.3
163.04030	4.0
163.11288	1.6
164.04871	1.3
165.01978	5.7
165.05602	3.1
167.03500	7.8
169.01521	1.7
171.10318	2.3
175.03998	1.1
177.01927	7.0
179.03593	1.8
189.05612	7.6
191.07515	1.3
207.10367	5.5
209.11852	8.0
211.13391	1.8
212.22746	1.4
217.05075	17.1
218.05600	2.4
219.06686	1.8
223.09921	2.8
223.13431	2.7
225.11391	6.1
227.12933	1.2
254.06062	1.4
255.06627	1.6
271.09888	3.6
297.11432	1.3
311.12918	1.6
313.11011	1.4
325.11026	3.2
327.12540	2.8
341.10281	22.4
341.14050	2.0
342.10974	3.5
343.12125	4.4
371.22144	1.3
378.02985	1.3
415.21005	1.6
425.34714	1.9
455.31918	1.9
461.10049	1.2
471.31363	5.1
473.32730	1.8
489.36084	7.8
490.36255	1.7
493.15543	4.3
515.34503	2.7
621.35254	2.0
633.29523	2.0
639.39105	100.0
640.39465	23.7
651.36090	17.7
652.36578	3.9
669.22357	4.3
669.32037	3.8
669.40369	70.7
670.23297	1.6
670.40594	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	669.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00567	1.0
59.01383	2.5
61.98837	2.9
67.01891	0.8
69.46531	2.6
69.46936	2.5
71.01389	2.4
72.99362	0.9
83.05017	1.0
84.02208	1.2
89.02483	1.8
93.03465	10.1
95.01399	1.1
95.05072	1.5
95.38520	0.8
101.02499	1.1
107.05046	3.5
108.02221	3.7
109.02974	2.6
113.02490	1.0
116.92924	0.8
121.02967	13.9
122.03767	3.6
123.04534	18.9
123.05382	1.1
125.06088	2.2
133.02972	1.8
134.03781	2.8
135.04549	8.8
136.01688	1.2
137.02452	7.7
139.04024	17.8
139.05016	1.3
140.04349	0.9
148.01683	6.3
149.02454	67.3
149.06100	1.4
150.02879	2.9
151.04063	5.6
161.02477	2.2
163.04031	1.6
167.03592	1.1
176.75682	0.8
177.05583	0.9
179.03578	1.3
181.01471	1.0
183.06654	0.9
189.05672	1.5
203.07124	1.0
207.10217	0.9
209.11855	8.9
211.13560	1.1
217.05159	1.7
223.13438	7.2
253.09444	1.3
255.23392	1.2
271.09869	2.0
305.14081	0.9
325.11032	1.1
334.46643	0.9
339.08990	1.1
341.10477	1.3
443.35800	1.0
455.31769	8.2
471.35657	14.7
472.35529	2.7
473.33090	3.1
489.36209	15.1
490.36630	2.9
515.34137	2.0
625.25513	0.9
625.37469	4.4
639.39063	100.0
640.39368	19.1
651.39240	6.4
669.40247	71.8
670.40387	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.6
61.98821	1.0
69.64280	2.3
71.01392	0.7
77.28732	0.5
78.36943	0.5
79.22237	0.5
83.01444	0.5
87.00865	0.8
89.82847	0.5
93.03500	0.9
96.95979	0.7
102.39729	0.5
107.01406	1.1
108.02197	1.6
109.02973	1.2
111.00893	0.7
113.02433	0.8
116.92858	0.7
120.99654	3.7
123.00906	1.7
123.04515	1.3
124.01633	0.8
125.02488	3.7
137.02438	3.0
139.00381	0.6
150.06866	1.0
151.00406	0.7
151.03972	0.7
152.01155	1.2
153.01796	0.9
153.05583	1.1
161.02333	1.0
165.09183	0.7
167.03535	0.6
168.00656	1.0
169.01442	5.3
175.18990	0.6
179.03433	0.6
181.01503	0.7
197.04570	0.6
197.99593	0.7
239.05739	1.3
242.99319	1.3
243.02937	0.7
243.06656	0.6
257.00958	1.1
269.98077	10.8
270.98862	22.8
271.99161	1.1
283.99771	0.7
285.00513	5.7
286.00974	1.2
297.97574	18.6
298.98355	37.8
299.99011	8.6
300.99799	1.9
312.99927	24.2
313.03452	1.3
313.05624	1.0
314.00699	59.0
315.01324	10.8
328.02274	8.0
329.03040	100.0
330.03342	7.4
341.08853	1.1
343.04593	0.7
356.01938	0.7
371.04068	1.9
407.33118	0.6
427.52200	0.6
509.31198	1.3
639.10126	1.1
671.10962	8.0
671.21045	2.6
671.35663	4.1
672.12592	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55668	0.4
59.01391	0.7
69.01050	3.5
71.01396	0.5
86.29434	0.4
89.02489	0.4
107.01441	0.6
108.02238	1.0
109.02978	0.5
111.00985	0.7
116.92896	0.4
120.99667	4.0
121.00349	0.4
123.00919	1.7
123.04528	0.8
125.02446	4.1
137.02493	1.8
140.01247	0.7
151.00417	0.6
151.04103	0.6
152.01195	0.9
153.02000	0.8
153.05621	0.8
161.02512	0.8
167.03506	1.0
168.00716	0.5
169.01425	3.7
177.01895	0.5
185.11867	0.4
197.04590	1.1
197.99731	0.7
211.02707	0.4
213.02339	0.4
242.99402	0.6
247.03227	0.4
253.58496	0.5
254.99284	0.5
257.00909	1.0
258.01645	0.6
269.98093	9.9
270.98843	22.4
271.99307	1.4
283.99573	0.7
285.00449	6.2
286.01126	1.2
289.50916	0.4
297.97577	16.8
298.00967	0.9
298.98343	38.1
299.99030	7.6
300.99881	1.8
312.99936	23.2
313.05768	0.9
314.00705	57.5
315.01343	11.2
316.02087	0.5
328.02301	8.5
329.03046	100.0
330.03394	8.2
339.01492	0.6
343.04590	0.7
356.01843	0.4
364.58121	0.4
371.04059	1.8
492.09180	0.4
509.31253	0.5
639.09937	1.2
671.11438	9.0
671.20166	1.6
671.34045	2.8
672.11908	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	671.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75896	0.7
61.98826	0.8
71.02230	0.8
79.97542	0.7
88.98820	2.4
108.02156	1.2
109.02911	0.8
125.02434	1.1
128.99820	0.9
153.09169	1.0
169.01453	1.1
202.56618	0.8
242.99413	2.1
243.06552	1.1
269.98032	2.9
270.98868	32.7
271.99414	1.2
283.99722	0.9
285.00558	4.1
286.01199	2.7
288.52350	0.9
297.97659	4.3
298.98343	53.7
299.98987	9.1
312.99905	10.4
314.00717	72.5
315.01273	8.9
328.02341	1.4
329.03046	100.0
330.03326	7.4
341.12320	1.3
431.95963	0.8
563.21539	0.9
671.16180	24.1
671.32776	1.5
672.16534	3.3
695.51556	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32951	0.3
55.01879	0.5
59.01393	0.8
61.00562	0.3
65.00320	0.4
67.01878	1.3
68.99840	0.5
69.03453	1.4
69.23544	2.3
71.01385	4.0
72.99303	0.6
73.02922	0.6
74.93874	0.4
79.01894	1.0
81.03447	0.5
82.95401	0.4
83.01401	1.0
85.02951	0.9
87.00868	0.6
95.01392	2.2
97.02971	1.3
101.02442	1.2
107.01405	12.8
108.02219	0.6
109.02974	1.1
111.00893	2.8
113.02454	1.5
121.02950	0.5
123.00897	13.6
123.04509	0.5
124.01712	1.8
125.02459	62.8
125.80605	0.4
126.02784	1.5
127.00372	1.3
134.86537	0.3
135.04504	0.5
136.01675	13.9
136.98788	1.7
137.02475	2.3
139.00401	5.4
139.04024	1.6
140.01193	3.6
141.01979	1.8
151.00395	7.9
151.04025	12.3
151.05270	0.5
153.01974	1.2
161.02498	0.7
162.03233	0.4
163.04036	0.6
165.01973	0.7
166.99866	0.6
167.03584	0.6
168.00659	5.3
169.01445	69.5
170.01764	2.8
175.04115	0.5
176.04782	0.4
177.05588	0.5
179.03561	0.4
183.03011	4.6
211.02426	1.6
223.02477	0.6
241.03526	1.3
253.03503	0.7
297.06232	0.8
311.00287	0.3
313.05673	18.1
313.11209	0.8
314.06039	1.1
327.07214	1.9
327.12515	0.7
339.07236	0.3
342.11197	0.6
343.11865	1.1
343.45175	0.4
357.13620	0.5
427.03513	0.4
641.19232	0.5
671.19830	100.0
672.20209	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	671.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01411	2.2
67.01896	2.6
67.15096	1.2
69.03450	2.2
69.20952	1.3
69.53386	2.5
69.53780	2.4
71.01377	5.2
83.01396	1.5
85.02956	2.1
95.01397	3.0
96.96050	2.0
97.02983	2.0
101.02454	1.9
107.01411	16.7
109.02959	2.4
111.00893	3.6
113.02435	1.2
116.92864	5.4
121.02986	1.8
123.00907	17.7
123.04499	1.6
124.01663	3.2
125.02465	67.7
126.02802	2.5
136.01682	16.8
136.98824	1.8
137.02448	4.5
139.00386	7.2
139.04060	1.8
140.01151	4.5
141.01938	1.2
149.02399	1.6
151.00363	10.4
151.04034	13.5
152.04372	1.4
153.01968	1.2
153.05669	1.0
165.01987	1.3
166.99936	1.4
168.00661	5.9
169.01453	75.8
170.01753	2.5
177.01984	1.2
183.03023	5.2
193.01546	1.2
197.99652	1.1
211.02505	1.7
241.03432	1.3
254.99417	1.8
257.00916	1.6
269.98053	21.5
270.98846	9.7
271.99261	1.2
279.06839	1.2
282.98981	1.7
283.99631	1.2
285.00397	13.7
286.00876	1.2
297.06064	1.2
297.97574	37.0
298.98248	12.8
299.99164	3.3
300.99695	3.0
312.99954	62.9
313.05515	19.9
313.11179	1.9
314.00601	20.4
314.06027	1.8
315.01334	2.6
327.07239	2.1
327.12537	2.5
328.02252	25.9
329.02789	6.1
343.12003	1.8
357.13300	1.5
653.18719	1.3
656.10608	1.9
671.11035	24.0
671.21265	100.0
672.11664	6.4
672.21753	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	671.235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.4
59.01094	2.8
59.01381	48.5
61.98829	29.9
62.22591	1.7
68.99811	2.4
69.03462	1.6
71.01389	20.6
71.29240	2.2
73.02932	4.4
77.99557	2.2
83.01395	5.3
85.02972	9.7
87.00856	2.5
88.98794	3.1
89.02443	6.6
93.03461	63.9
94.03796	2.3
95.01382	6.1
97.02908	2.1
99.00893	2.5
99.04536	2.1
101.02438	14.4
107.01389	2.9
108.02187	15.3
109.02969	13.1
111.00871	5.2
113.02448	7.3
121.02966	6.3
122.03767	3.8
123.00867	6.4
123.04527	13.2
123.86870	1.7
124.01678	4.5
125.02461	22.4
133.02954	6.8
134.03783	2.9
135.04550	9.1
136.01671	42.7
137.02460	100.0
138.02811	3.0
139.00401	2.4
139.04005	6.2
145.02930	2.2
147.04462	3.3
149.02466	3.6
149.06099	2.1
151.00391	9.0
151.04016	44.1
152.01189	16.2
152.04424	1.9
153.01904	3.4
159.04492	4.4
161.02470	30.4
161.04512	3.0
161.06082	3.4
162.03043	2.1
162.54678	1.7
163.04037	2.6
164.04822	4.5
166.02708	17.2
167.03520	16.6
169.01476	13.4
173.06050	5.9
174.06821	5.4
175.04018	2.0
175.07651	4.1
177.05640	4.8
179.03526	9.2
181.05060	20.6
182.31738	2.0
183.10159	3.9
190.02728	2.7
191.03436	1.8
191.07224	1.8
192.07924	2.0
193.04999	2.7
193.08644	3.4
194.05812	2.8
203.03574	2.3
203.07181	2.5
205.05034	4.7
207.06564	2.1
207.10255	2.5
209.04745	2.3
209.08224	3.5
215.61177	1.8
221.04579	2.8
270.98758	2.5
271.05984	6.3
281.06671	89.4
282.07016	5.4
289.07175	14.3
298.98297	3.9
300.99915	2.5
303.05469	1.9
311.07571	21.5
315.11990	2.9
323.07733	1.9
326.11700	8.7
327.12323	4.4
329.13864	5.1
341.13971	7.1
345.13498	10.6
346.13461	2.5
359.14948	10.1
375.14523	27.0
376.14780	2.6
389.15933	3.9
389.25540	3.2
447.13141	10.9
447.31177	3.7
448.31424	3.4
449.31665	2.9
463.12430	8.1
471.31149	5.8
473.32468	10.4
581.36945	26.9
582.37274	2.7
627.20410	2.4
635.19763	4.4
671.22852	59.8
671.33356	14.1
672.23730	13.0
672.33478	3.0
689.48309	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	671.235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.4
59.01094	2.8
59.01381	48.5
61.98829	29.9
62.22591	1.7
68.99811	2.4
69.03462	1.6
71.01389	20.6
71.29240	2.2
73.02932	4.4
77.99557	2.2
83.01395	5.3
85.02972	9.7
87.00856	2.5
88.98794	3.1
89.02443	6.6
93.03461	63.9
94.03796	2.3
95.01382	6.1
97.02908	2.1
99.00893	2.5
99.04536	2.1
101.02438	14.4
107.01389	2.9
108.02187	15.3
109.02969	13.1
111.00871	5.2
113.02448	7.3
121.02966	6.3
122.03767	3.8
123.00867	6.4
123.04527	13.2
123.86870	1.7
124.01678	4.5
125.02461	22.4
133.02954	6.8
134.03783	2.9
135.04550	9.1
136.01671	42.7
137.02460	100.0
138.02811	3.0
139.00401	2.4
139.04005	6.2
145.02930	2.2
147.04462	3.3
149.02466	3.6
149.06099	2.1
151.00391	9.0
151.04016	44.1
152.01189	16.2
152.04424	1.9
153.01904	3.4
159.04492	4.4
161.02470	30.4
161.04512	3.0
161.06082	3.4
162.03043	2.1
162.54678	1.7
163.04037	2.6
164.04822	4.5
166.02708	17.2
167.03520	16.6
169.01476	13.4
173.06050	5.9
174.06821	5.4
175.04018	2.0
175.07651	4.1
177.05640	4.8
179.03526	9.2
181.05060	20.6
182.31738	2.0
183.10159	3.9
190.02728	2.7
191.03436	1.8
191.07224	1.8
192.07924	2.0
193.04999	2.7
193.08644	3.4
194.05812	2.8
203.03574	2.3
203.07181	2.5
205.05034	4.7
207.06564	2.1
207.10255	2.5
209.04745	2.3
209.08224	3.5
215.61177	1.8
221.04579	2.8
270.98758	2.5
271.05984	6.3
281.06671	89.4
282.07016	5.4
289.07175	14.3
298.98297	3.9
300.99915	2.5
303.05469	1.9
311.07571	21.5
315.11990	2.9
323.07733	1.9
326.11700	8.7
327.12323	4.4
329.13864	5.1
341.13971	7.1
345.13498	10.6
346.13461	2.5
359.14948	10.1
375.14523	27.0
376.14780	2.6
389.15933	3.9
389.25540	3.2
447.13141	10.9
447.31177	3.7
448.31424	3.4
449.31665	2.9
463.12430	8.1
471.31149	5.8
473.32468	10.4
581.36945	26.9
582.37274	2.7
627.20410	2.4
635.19763	4.4
671.22852	59.8
671.33356	14.1
672.23730	13.0
672.33478	3.0
689.48309	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	671.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65310	1.2
53.02825	1.2
57.03465	1.2
59.01375	3.5
59.51660	1.1
61.98828	10.1
69.20284	9.9
78.95927	1.4
79.80935	1.1
81.03487	1.4
83.05022	2.5
83.12621	1.1
85.13580	1.2
93.03474	1.6
95.01414	1.5
95.04999	1.6
97.02972	2.9
97.06602	1.2
99.04521	1.5
101.02455	2.0
107.04987	1.4
108.02180	100.0
109.03020	10.6
109.06602	2.9
111.04556	1.6
111.08163	1.8
113.02448	2.2
116.92846	1.7
121.02956	7.5
121.06618	1.3
123.00874	1.6
123.04530	38.5
124.01669	1.3
124.04887	1.2
125.02463	1.4
125.09756	1.8
132.87057	1.1
134.03741	2.5
135.04521	7.1
136.01651	1.5
137.02469	2.2
145.02971	2.9
148.05295	1.2
149.02425	1.8
149.06059	2.8
151.03998	2.4
153.34839	1.2
159.04416	1.4
162.03209	1.5
163.04022	4.0
163.11238	2.5
164.04771	2.8
171.10194	1.5
175.07587	1.5
176.04764	1.4
177.05634	3.0
179.07117	2.7
182.05205	1.1
191.03474	1.9
195.71536	1.1
203.07166	4.4
207.10292	7.8
209.11819	17.7
210.12117	1.9
211.13399	2.2
219.06609	7.5
225.11218	7.2
227.12846	2.0
240.11267	1.4
243.06644	1.8
253.09042	2.5
254.05847	2.1
255.06662	2.2
267.06561	3.3
268.07370	2.7
269.08209	1.5
270.08868	1.5
271.09723	4.8
277.08786	1.5
279.06766	1.9
279.10132	1.5
281.08252	1.4
286.08264	1.2
287.09210	1.5
293.08133	2.7
294.08936	8.1
295.09650	2.8
297.11407	1.5
299.09219	1.5
307.09888	2.2
321.07761	1.5
322.08530	1.7
323.09070	1.4
327.12418	5.6
335.09171	2.8
337.10742	3.6
342.47842	1.3
343.11951	4.3
389.10324	3.3
399.12460	2.0
400.12936	2.0
404.12592	12.6
405.12848	1.8
412.77655	1.2
415.11520	1.7
416.12747	6.9
427.12512	1.4
431.15161	9.8
443.11380	2.7
444.12466	6.2
445.12244	1.6
452.90341	1.3
459.14526	70.3
460.14807	12.9
461.20547	1.7
473.15860	7.1
519.19812	1.5
547.19574	4.4
582.18695	1.9
583.19727	51.2
584.20105	9.2
671.24615	36.5
671.33014	2.7
672.24823	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	671.258
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67476	0.8
57.03433	1.0
57.64437	0.8
59.01365	3.8
61.98820	3.0
62.30615	0.8
69.13902	4.1
69.14305	1.9
71.01398	8.1
73.02952	4.5
76.76817	0.8
81.03462	1.2
83.01388	1.5
85.02954	5.8
87.00865	1.0
89.02451	1.3
93.03499	1.7
93.58483	0.9
95.01389	3.5
97.02946	1.4
101.02453	4.8
107.01392	1.8
108.02178	59.6
109.02970	33.5
110.03273	1.0
111.00880	1.3
113.02467	3.8
121.02940	3.7
123.00860	2.5
123.04591	2.1
125.02454	14.5
134.03734	2.3
136.01653	1.4
137.02477	2.5
139.00357	0.9
139.03967	1.4
140.01151	1.2
151.00375	2.2
151.03995	2.5
152.01161	59.7
153.01955	20.1
161.04631	1.3
163.03928	1.1
165.01952	2.4
165.09294	1.0
167.03471	1.8
169.01430	14.8
170.01756	1.0
175.04060	1.0
181.96820	0.7
183.04604	0.8
205.05081	3.9
209.08243	4.4
210.08630	1.1
271.02490	3.0
272.02979	2.5
300.02725	3.7
301.03198	3.0
302.03363	2.6
311.07675	1.6
313.05716	3.4
315.06952	5.2
337.07510	3.3
337.57684	3.1
373.18518	1.1
464.08948	1.5
465.08957	1.8
519.11444	1.2
635.19653	2.7
636.20215	1.3
671.13141	10.4
671.25507	100.0
672.14160	1.2
672.25842	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	671.329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.9
57.03450	0.6
59.01384	8.9
61.98821	1.7
69.03467	0.8
71.01396	7.1
73.02946	1.6
80.02679	1.7
81.03478	3.0
83.01366	1.4
83.05044	7.8
84.02194	1.2
85.02946	1.7
87.00893	1.5
89.02448	4.0
93.03460	2.7
95.01452	0.8
95.05044	1.3
96.15962	0.5
97.02958	5.2
97.06586	1.2
99.00877	1.2
101.02442	5.0
108.02175	0.9
109.02966	0.9
109.06600	17.7
110.03716	1.0
110.06945	1.3
111.00917	0.8
111.04565	1.2
113.02452	2.8
119.03474	1.0
121.06618	1.4
123.00899	1.1
123.04562	1.1
123.08134	0.5
124.01698	0.7
125.02456	4.3
125.06107	1.1
125.09758	3.1
134.03740	0.6
135.08202	3.5
136.05334	1.2
137.02518	0.9
139.00400	0.9
139.04063	0.7
142.02725	0.8
143.03517	0.6
145.05032	0.6
149.02393	0.6
151.00267	0.7
153.01895	0.7
154.02730	0.9
161.04555	2.0
161.09740	1.3
163.11301	13.8
164.04816	1.4
165.01912	0.9
165.12852	3.2
168.00626	2.0
168.54065	0.7
169.01428	3.3
171.10309	8.4
175.11166	0.8
179.05629	0.7
181.12332	3.2
185.11806	2.4
187.09547	0.7
189.09200	2.6
191.10751	1.7
201.11354	5.0
205.12349	0.9
207.10271	51.9
208.10600	3.1
209.11838	100.0
210.12177	6.2
217.12325	1.0
221.11877	1.2
222.25679	0.6
223.13292	1.2
225.11328	32.1
226.11681	2.2
227.12901	12.0
231.10205	1.1
235.08327	3.5
235.13452	1.4
245.11868	1.1
247.13420	0.6
249.11331	1.3
251.12943	1.2
253.09317	9.1
263.12827	2.3
265.14444	2.0
281.13983	0.7
285.20813	0.9
343.11826	0.9
355.22906	0.6
357.26364	3.5
399.21866	4.7
400.22357	0.9
417.22775	5.7
427.32257	2.1
435.23935	1.4
443.19434	3.8
445.20889	0.9
461.20367	9.6
462.20758	1.2
473.36710	5.0
491.26746	0.7
627.30121	0.9
635.30634	9.2
636.31232	1.5
653.31903	13.0
654.32001	2.3
671.23071	4.0
671.32849	25.9
672.23444	0.9
672.33167	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	671.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.7
57.03442	1.0
59.01136	0.8
59.01385	11.8
60.75384	0.6
61.98838	1.6
65.03968	0.8
69.03445	1.0
69.13654	4.6
71.01381	5.9
73.02935	1.9
75.00892	1.0
80.02681	2.6
81.03468	4.5
83.01394	1.7
83.05027	9.2
84.02182	1.5
85.02946	2.4
87.00871	2.1
89.02451	3.5
93.03458	2.1
95.01379	1.0
95.05038	1.9
97.02964	6.8
97.06616	1.3
99.00928	1.8
101.02468	6.0
101.31608	0.7
107.05004	1.4
108.02182	0.9
109.06599	24.8
110.03739	1.9
110.06873	0.8
111.04508	0.9
113.02435	2.6
119.03487	1.0
121.03058	1.0
121.06639	1.6
123.04544	2.1
123.08166	0.8
125.02406	0.8
125.06066	1.1
125.09719	2.6
127.49696	0.7
135.08199	4.2
136.05319	1.2
142.02756	1.7
143.03522	0.9
149.02426	1.3
151.03967	0.8
161.04550	1.5
161.09729	2.4
163.11305	18.4
164.11673	0.9
165.12825	3.4
171.10284	4.9
179.10876	1.0
181.12305	4.4
185.11848	2.7
189.09282	1.3
191.10791	1.9
201.11292	1.1
207.10277	63.0
208.10626	3.6
209.11842	100.0
210.12183	7.1
223.13361	1.4
225.11337	30.8
226.11696	1.5
227.12889	12.4
231.10333	1.8
235.08278	3.2
235.13391	1.2
245.11824	1.1
249.11392	0.9
253.09322	8.3
263.12845	2.4
265.14514	1.3
269.91714	0.8
281.14047	1.0
299.15063	0.8
325.10791	0.9
348.41534	0.7
355.22906	1.0
373.23792	1.0
399.21729	5.7
417.22778	5.8
418.23120	0.9
421.17419	0.8
435.23816	0.7
443.19116	3.0
461.20319	11.1
462.20663	1.2
499.22034	1.1
635.30756	8.7
636.31183	1.8
641.36102	1.3
653.31775	13.4
654.32385	2.2
671.32758	21.9
672.33221	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	671.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99566	0.6
57.03458	0.6
58.73431	0.7
59.01390	4.2
61.98835	7.7
68.26653	0.5
69.06998	4.0
69.07418	1.5
71.01389	3.0
71.05022	0.8
73.02941	0.9
81.03464	1.3
83.01409	0.7
83.05042	0.7
85.02962	3.3
86.38400	0.6
87.00850	0.7
87.04520	0.9
89.02421	0.8
93.03475	1.8
95.01399	2.2
95.05074	0.7
97.02958	0.7
97.06587	0.7
101.02466	2.4
108.02180	51.3
109.02966	35.4
109.03719	1.3
110.03293	0.9
113.02481	0.8
116.92847	1.3
121.02935	2.0
123.00884	2.0
123.04544	5.2
125.02455	1.7
133.03033	0.6
135.04543	1.2
137.02437	1.3
139.04031	0.9
139.11319	1.1
149.02539	0.7
149.05969	0.7
151.04015	1.7
152.01157	51.5
153.01950	18.7
153.05534	3.4
161.02429	0.9
163.03990	1.1
165.01982	0.9
165.05540	0.9
169.01457	1.6
171.10155	1.1
183.10345	1.6
185.11847	2.0
187.96526	0.7
207.10214	0.8
209.11821	3.0
215.12936	0.7
215.41354	0.6
225.11287	3.3
241.03427	0.6
299.99191	1.0
301.00009	1.7
301.03561	0.7
301.20172	6.8
311.08136	0.6
315.07114	1.3
343.38251	0.7
355.25116	1.7
373.25977	14.5
374.26306	1.4
389.25394	0.9
473.32834	6.5
474.33286	0.7
474.61948	0.6
491.19342	3.5
671.32953	100.0
672.33466	20.2
672.42273	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82002	5.0
61.24187	4.4
61.98831	5.0
66.15337	4.1
71.28460	8.3
89.48949	3.9
113.17712	4.4
122.50928	4.2
125.09703	10.2
133.02963	14.9
135.04538	12.1
137.02467	31.0
149.02399	5.1
161.02470	43.4
162.02800	6.1
179.03537	11.1
385.59818	4.5
587.37024	9.4
589.38184	21.6
614.84131	4.9
633.37762	100.0
634.37573	12.4
635.39185	40.7
636.39587	8.0
643.44165	8.6
653.34235	5.5
671.32715	25.9
672.33862	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	671.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61879	0.4
57.03437	1.2
59.01393	2.3
61.98837	4.4
62.29304	0.4
63.67694	0.4
69.57783	2.2
71.01369	1.9
83.01374	0.5
85.02934	0.6
87.00876	0.5
89.02449	0.9
93.03459	1.1
95.01381	0.7
98.21873	1.0
101.02447	1.2
108.02182	23.6
109.02968	9.3
110.58928	0.4
116.92872	1.1
121.02985	0.7
123.00905	0.6
123.04546	3.1
125.02429	0.8
133.02959	2.0
134.03752	0.8
135.04535	1.8
137.02461	1.8
139.04076	0.5
148.05286	0.4
151.04048	0.6
152.01163	22.5
153.01965	5.7
153.05566	3.3
161.02455	6.7
165.01860	0.4
169.01501	0.6
178.02763	0.7
179.03534	1.4
197.02231	3.0
207.10338	0.6
209.11865	1.6
225.11308	0.8
252.42520	0.5
309.11441	0.8
323.07779	0.6
373.26013	4.3
389.25055	0.5
429.33765	1.1
433.11401	0.8
471.31177	1.5
473.32721	100.0
474.33090	13.5
671.19836	13.9
671.33246	22.0
672.20032	2.6
672.33411	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	671.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07629	0.6
57.03484	1.1
59.01417	1.5
61.98862	2.2
69.65313	3.1
69.65592	0.9
71.01430	1.8
73.97350	0.6
88.98861	0.6
89.02449	1.0
93.03501	0.8
93.45307	0.6
97.06632	0.9
98.21875	0.8
108.02180	21.2
109.02967	12.3
123.04636	0.6
136.05334	1.5
149.06073	1.0
150.06923	0.6
152.01161	19.2
153.01961	7.1
165.09285	1.8
185.11806	0.6
186.39052	0.8
189.09943	0.7
197.02312	1.9
257.17615	3.2
300.08472	0.6
307.87329	0.7
343.25031	1.5
373.25870	4.9
374.26669	0.7
399.32788	2.5
473.32724	100.0
474.33081	16.0
509.30768	1.2
671.33130	35.8
672.33679	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	671.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12733	0.8
57.03449	1.0
59.01411	3.4
61.46978	0.7
61.98846	5.6
67.20779	0.7
69.14896	0.7
71.01414	2.5
73.02973	0.9
77.59681	0.7
85.02967	1.2
87.04583	0.7
87.36932	0.7
89.02492	1.7
95.01439	1.1
98.21754	1.8
101.02515	1.9
108.02194	16.2
109.02963	10.7
109.03593	0.8
113.11855	0.8
116.92899	1.6
120.99709	1.0
123.00896	1.6
123.04573	3.1
125.02456	1.7
135.04572	0.7
137.02536	0.9
150.06819	0.9
152.01164	19.1
153.01964	8.1
153.05667	2.7
161.02434	1.0
161.04604	0.9
169.01451	1.1
186.68587	0.8
197.02296	3.4
207.10402	0.9
209.11824	4.8
225.11360	3.9
230.42976	0.8
268.50003	0.7
283.33908	0.9
285.20740	1.0
302.02158	0.8
355.24933	0.8
373.25934	5.7
389.25497	4.7
473.32739	100.0
474.26831	1.3
474.33179	16.9
474.39993	1.2
509.34842	0.9
635.19891	1.8
653.31055	1.0
671.20691	1.1
671.33026	34.4
672.33051	6.0
687.44128	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30789	1.2
59.01382	3.9
61.98834	4.4
64.40199	1.2
71.01397	2.2
76.51199	1.4
87.00864	2.6
93.03475	2.9
95.05030	1.4
101.02486	1.8
108.02192	4.1
109.02957	3.8
111.00922	4.7
115.65197	1.2
120.99648	8.5
121.02951	1.3
121.99973	1.4
122.99242	5.8
123.00917	1.6
123.04523	4.5
123.08157	2.4
125.02457	8.9
133.02954	1.5
135.04575	1.7
135.34314	1.3
136.05360	3.1
137.02483	3.7
149.02486	1.4
149.06102	2.6
150.06892	27.9
151.04121	1.6
152.01096	2.5
153.02002	3.0
153.05580	1.4
161.02528	1.8
163.07629	6.8
164.08426	6.4
165.05624	2.3
165.09267	3.3
167.03516	4.1
167.24696	1.3
168.00665	2.0
169.01460	5.6
179.10812	15.0
187.09862	2.0
193.43802	1.3
271.04691	3.3
313.05658	4.5
314.00687	1.6
321.20819	2.1
329.02859	1.6
329.19757	8.5
347.18747	1.7
350.20990	1.4
355.11987	2.6
357.13016	2.2
385.16623	4.8
386.17078	1.6
407.52972	1.3
445.29849	3.4
485.38351	1.8
491.11951	1.6
491.30408	3.5
508.30569	2.7
509.24072	2.7
509.31183	33.0
510.31732	6.3
671.22339	6.5
671.36517	100.0
672.23944	2.2
672.36969	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	671.3658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30789	1.2
59.01382	3.9
61.98834	4.4
64.40199	1.2
71.01397	2.2
76.51199	1.4
87.00864	2.6
93.03475	2.9
95.05030	1.4
101.02486	1.8
108.02192	4.1
109.02957	3.8
111.00922	4.7
115.65197	1.2
120.99648	8.5
121.02951	1.3
121.99973	1.4
122.99242	5.8
123.00917	1.6
123.04523	4.5
123.08157	2.4
125.02457	8.9
133.02954	1.5
135.04575	1.7
135.34314	1.3
136.05360	3.1
137.02483	3.7
149.02486	1.4
149.06102	2.6
150.06892	27.9
151.04121	1.6
152.01096	2.5
153.02002	3.0
153.05580	1.4
161.02528	1.8
163.07629	6.8
164.08426	6.4
165.05624	2.3
165.09267	3.3
167.03516	4.1
167.24696	1.3
168.00665	2.0
169.01460	5.6
179.10812	15.0
187.09862	2.0
193.43802	1.3
271.04691	3.3
313.05658	4.5
314.00687	1.6
321.20819	2.1
329.02859	1.6
329.19757	8.5
347.18747	1.7
350.20990	1.4
355.11987	2.6
357.13016	2.2
385.16623	4.8
386.17078	1.6
407.52972	1.3
445.29849	3.4
485.38351	1.8
491.11951	1.6
491.30408	3.5
508.30569	2.7
509.24072	2.7
509.31183	33.0
510.31732	6.3
671.22339	6.5
671.36517	100.0
672.23944	2.2
672.36969	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	671.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02015	1.0
59.95520	1.0
61.98816	2.6
69.14261	3.4
69.14675	5.9
75.08885	1.1
77.14508	1.1
80.88182	1.3
117.03484	3.1
125.09750	3.2
133.02971	9.9
134.03729	2.4
135.04535	4.5
137.02492	1.7
145.02959	9.9
161.02449	22.5
228.76398	1.1
633.37817	9.0
634.38062	2.2
635.39563	100.0
636.39935	21.3
653.42676	1.5
671.33954	4.9
672.34589	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	671.378
Annotation	Kirkinine
Peak:m/z	Relative Intensity
61.69199	2.8
61.98821	5.0
70.61723	6.4
87.05657	5.7
87.31515	2.2
88.49488	3.0
102.27377	2.4
115.08810	3.0
118.66413	2.8
123.03307	3.7
123.04533	2.7
123.32402	2.9
127.05183	17.8
128.03568	7.1
129.10344	4.5
134.08759	2.8
139.08861	3.2
165.10335	17.3
181.09828	4.3
182.12962	9.8
200.14070	28.6
202.12633	2.4
202.73433	2.9
208.10931	30.9
209.09352	5.9
223.38173	2.6
226.11981	28.5
226.61655	2.7
268.45459	2.6
281.19861	3.6
339.20099	3.5
410.24048	84.4
411.24515	6.5
653.36743	15.0
671.37823	100.0
672.37866	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	671.4017
Annotation	Guineamide D
Peak:m/z	Relative Intensity
56.56184	0.9
59.01373	2.0
61.98820	2.9
69.15272	6.0
69.16087	0.8
70.58037	0.8
70.65019	0.8
71.01369	1.1
76.95164	0.8
85.02952	1.2
90.27020	0.8
112.21581	0.8
113.06110	1.3
116.92853	1.4
125.02462	1.8
131.00417	0.8
149.06099	7.7
150.06873	48.7
151.07263	2.6
153.01895	1.0
161.02428	1.0
163.07657	10.4
164.08424	6.8
169.01468	2.9
176.08386	1.6
177.02029	1.2
177.09084	1.0
178.10043	2.3
179.10805	13.3
192.04311	1.0
195.06615	1.0
207.06688	1.4
269.98264	1.1
280.60941	0.8
297.97681	1.2
311.21606	0.8
312.99997	2.4
314.00824	1.3
327.25433	2.3
329.03262	1.5
329.23270	5.9
448.31915	8.9
449.32388	1.2
463.34256	13.0
464.34885	1.8
473.32755	3.5
490.33301	2.6
491.34042	2.9
508.34152	3.3
509.34830	32.7
510.34991	3.4
671.40192	100.0
672.40576	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	673.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	2.2
61.98823	1.1
67.01883	1.3
69.03446	2.0
69.64091	2.1
71.01383	4.0
72.99299	0.8
73.02946	1.7
76.33509	0.5
79.01891	1.2
83.01377	1.4
85.02963	1.9
87.00871	1.2
93.03450	0.7
95.01387	1.8
97.02951	2.1
99.00826	0.6
99.80799	0.6
101.02460	2.0
107.01397	9.7
108.02207	1.4
109.02950	2.6
111.00891	1.5
113.02446	2.1
116.81079	0.5
121.02968	3.0
122.03745	2.3
123.00893	6.6
123.04529	3.3
124.01678	1.6
125.02454	87.3
126.02797	2.5
127.00397	0.9
135.04530	0.7
136.01773	0.6
136.98911	0.7
137.02461	1.8
139.00418	1.6
140.01147	2.1
143.03506	4.7
147.04489	1.7
151.00388	4.8
151.03986	1.1
152.01146	2.7
153.01949	1.7
156.09314	0.5
163.07686	1.9
165.01920	1.4
165.05623	4.3
167.03519	9.1
168.00685	3.3
169.01431	100.0
170.01790	3.9
175.03923	0.9
179.03561	1.2
179.07115	1.2
191.03496	0.9
193.01434	1.4
207.06609	12.7
208.06969	0.7
211.02516	1.6
237.04147	1.2
241.03513	0.9
252.39061	0.6
291.90994	0.6
295.04684	3.3
296.05304	0.7
311.07739	21.8
313.05655	25.1
314.06046	2.1
346.14166	1.3
361.16525	7.7
465.06744	29.1
466.07071	3.4
521.12885	3.0
673.14075	71.1
673.24200	4.2
674.14276	13.6
674.24762	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.1
59.01389	6.4
61.98835	3.8
65.62729	0.8
66.30421	0.8
67.01899	1.4
69.03461	1.3
70.92407	0.8
70.92734	1.4
71.01378	5.5
73.02950	1.9
78.13836	0.8
80.05078	1.0
81.03507	1.1
83.01410	1.4
83.05046	1.3
85.02960	1.8
87.00893	1.4
87.04521	8.9
89.02478	1.7
94.06597	1.0
95.01431	1.8
95.41108	0.8
97.02966	0.9
99.92619	1.0
101.02484	3.5
104.05190	0.8
105.21527	0.8
106.06682	1.2
107.01406	5.8
107.03787	1.3
108.02175	1.3
109.02972	1.7
109.06538	0.8
111.00928	1.6
113.02470	2.1
116.43788	0.8
121.02982	1.4
122.06129	9.0
123.00904	6.9
123.04558	2.0
124.01728	1.6
125.02461	34.4
126.02809	1.4
127.00397	1.1
127.07654	1.3
134.03763	0.9
134.06142	2.7
135.04552	1.1
137.02454	1.8
139.00418	3.7
139.11337	1.1
140.01170	2.4
141.01907	0.8
148.04152	1.0
149.06154	1.5
151.00404	5.1
151.04016	1.1
152.07169	12.4
153.01994	1.3
155.10789	1.1
161.02501	1.9
163.04031	1.1
163.11266	1.0
164.01073	0.9
167.03586	0.9
168.00682	3.2
169.01436	33.7
169.12517	1.0
170.01758	1.2
179.03520	1.1
181.12440	1.0
183.10234	1.8
185.11880	0.9
188.07147	1.1
197.11993	0.9
199.09769	2.0
199.13489	3.2
203.07117	1.7
209.11858	24.6
209.13757	1.4
210.12199	1.8
212.72289	1.1
213.10463	2.4
225.11369	1.8
226.11359	1.0
227.12953	12.1
228.13214	0.9
239.12004	2.6
241.10875	0.9
241.13580	2.5
242.99380	1.5
245.13121	2.4
250.07329	1.0
253.09540	3.2
265.09885	1.2
267.06967	0.8
267.11505	0.8
268.07480	1.3
269.98227	1.3
270.09247	1.7
270.98853	32.3
271.99307	2.0
278.07135	1.3
279.07687	1.0
285.00708	1.6
285.04111	2.5
285.07950	1.0
285.12286	5.2
286.01184	1.3
293.09412	4.2
293.12827	1.4
294.09378	2.4
295.10928	2.5
297.97629	2.0
298.98334	47.6
299.98700	5.5
309.11667	1.3
312.99857	5.3
313.05542	5.7
314.00702	58.2
315.01093	6.3
323.10568	2.2
327.12247	5.9
329.03040	100.0
330.03366	9.6
337.08429	2.1
338.09116	1.0
345.14008	1.0
358.15744	1.4
384.13766	0.9
400.16882	3.1
433.11676	1.1
460.18964	2.7
462.17078	0.9
463.21664	1.2
465.06653	1.1
473.32797	11.5
474.20554	1.3
474.33554	3.1
475.33804	2.0
489.18048	2.0
503.16714	1.3
504.17462	3.9
507.18768	7.8
518.19604	5.7
519.20386	1.3
521.16693	8.8
522.16608	1.3
523.23669	1.2
536.20764	1.2
548.16632	0.9
550.22003	7.3
565.24579	15.1
566.25134	2.0
597.27429	1.9
600.55505	0.9
609.23724	8.4
610.24567	1.4
641.26337	18.4
642.26923	2.7
655.33490	0.9
673.17944	55.4
673.29059	13.6
674.18243	9.0
674.29010	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	673.214
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.8
58.89745	0.6
59.01368	2.5
69.03458	1.4
70.57629	0.7
71.01369	1.5
77.15298	0.6
79.01936	0.7
81.03493	1.0
83.01379	1.0
84.03880	0.7
84.06056	0.8
93.03466	1.7
95.01387	2.1
97.02938	1.8
107.01392	13.8
111.00868	0.9
121.03003	1.4
123.00878	2.7
123.04508	1.7
124.01661	2.0
125.02460	88.2
126.02769	2.2
133.02954	2.0
137.02454	2.1
139.00357	1.1
139.04021	1.0
145.02974	0.8
149.05959	0.8
151.00343	3.9
152.01208	1.0
156.05957	0.7
167.03513	2.0
168.00630	1.7
169.01437	100.0
170.01816	4.0
177.02046	0.8
177.05583	1.1
178.99892	0.9
183.02930	1.3
201.05544	1.4
211.02438	0.9
215.06992	0.8
241.04913	0.9
243.06461	1.3
259.06073	9.1
260.06738	0.8
269.04565	14.0
287.05630	13.4
307.51523	0.8
313.05603	1.0
439.24930	0.8
511.32846	1.2
673.21429	42.3
673.36310	2.3
674.21893	7.3
694.39929	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61917	0.9
54.56649	0.8
55.64864	1.0
59.01383	2.1
61.98822	3.0
68.98646	7.1
68.99044	2.2
71.01392	3.1
81.03461	1.1
83.01382	1.9
85.02961	1.9
87.00867	1.5
88.98816	3.5
95.01388	2.2
97.02965	1.7
101.02484	1.3
107.01392	9.5
108.02174	1.0
109.02990	2.8
111.00880	3.1
113.02445	2.0
115.68420	0.9
120.99654	1.2
121.02953	1.3
123.00880	11.9
123.04517	1.5
124.01653	2.4
125.02453	49.6
126.02827	1.6
135.04529	0.9
136.01678	9.5
136.98839	1.7
137.02460	5.7
139.00378	4.2
139.04037	1.4
140.01196	2.7
141.01988	1.7
149.02435	1.0
151.00426	7.2
151.04024	13.5
152.01106	1.4
153.01897	1.0
163.04060	0.9
163.07610	1.2
164.04829	1.2
165.01881	1.6
168.00676	4.8
169.01433	62.1
170.01805	1.7
175.04001	1.0
179.03522	1.7
183.03003	2.9
211.02512	1.8
271.02420	1.6
289.07239	1.3
300.02667	6.3
301.03494	1.4
311.12817	1.0
313.05649	16.9
314.06125	1.4
327.07288	2.2
329.14044	2.0
465.10416	1.1
509.13245	2.0
583.10956	5.6
584.11578	1.0
673.21381	100.0
674.21777	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	673.214
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19530	0.7
56.05994	0.6
59.01386	1.7
67.01884	1.1
67.07240	0.8
69.03452	1.7
71.01395	4.2
74.99063	0.8
79.01904	1.0
85.02972	1.2
87.00912	0.9
95.01413	2.5
97.02932	1.1
97.95568	0.7
98.21781	2.1
101.02443	1.2
107.01400	11.4
111.00902	2.0
113.02459	1.2
120.99670	3.8
121.02993	1.6
123.00891	10.9
124.01648	2.2
125.02460	60.4
126.02811	2.0
136.98820	1.5
137.02492	1.6
139.00409	4.4
139.04016	1.2
140.01169	2.6
141.01976	1.1
147.04581	0.8
151.00404	7.2
151.04015	1.0
153.02007	1.3
165.01985	0.9
167.03503	1.5
168.00600	4.3
169.01440	69.7
170.01862	2.1
183.03067	3.4
211.02527	1.0
223.93298	0.7
257.01172	0.7
269.08197	4.7
283.09781	1.3
289.07217	1.0
293.38162	0.7
297.06155	1.5
299.09351	2.3
299.31317	0.8
300.09552	0.7
311.09216	4.1
312.10062	1.0
313.05685	16.6
314.05783	1.2
314.11572	4.9
315.12375	2.1
326.11539	2.0
327.07227	1.6
327.12137	1.1
329.13980	3.7
341.13898	1.4
422.06531	1.0
602.95300	0.7
606.64935	0.7
643.19952	2.0
673.21399	100.0
674.21637	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	673.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.9
59.01384	3.6
61.98831	3.7
62.50104	0.9
67.01875	1.8
69.03458	2.0
71.01380	4.5
71.29885	1.2
72.22894	1.1
72.99297	1.5
77.06455	1.3
81.03481	1.6
83.01408	3.4
85.02942	1.8
93.03467	2.5
95.01391	2.8
97.02953	2.0
101.02431	2.7
107.01395	14.6
108.02186	1.4
109.02977	2.2
110.00130	1.3
111.00901	4.7
114.93420	2.5
120.99690	4.1
121.02911	1.9
123.00921	10.7
123.04563	1.3
124.01701	4.7
125.02459	94.4
126.02809	4.2
127.00394	2.1
133.02986	2.2
134.97931	1.3
135.04605	1.7
136.05200	1.1
136.98793	2.8
137.02475	5.1
139.00385	6.6
140.01157	7.3
149.02483	1.8
150.06877	1.5
151.00377	9.9
151.04047	1.3
151.12190	1.1
152.01187	3.9
153.01949	4.0
161.02505	2.7
165.01941	2.6
167.03545	4.1
168.00642	22.8
169.01440	100.0
170.01878	3.8
170.10492	1.3
173.06133	3.4
177.05577	1.2
178.99899	2.1
179.03546	2.2
181.01559	2.4
181.05084	1.4
183.03070	2.4
193.01427	20.6
194.05876	1.3
195.06659	2.2
201.05707	2.4
205.80273	1.2
209.04579	2.2
211.02502	67.1
212.02962	2.4
215.07242	3.3
223.06131	1.9
241.03641	3.9
243.06697	3.5
253.03690	2.0
256.77264	1.4
259.06143	24.9
259.08685	2.2
260.06229	1.3
269.04501	6.4
271.04608	42.7
271.07465	2.2
272.05084	1.7
285.00562	1.8
287.05624	24.3
288.06036	1.6
291.97714	1.3
295.04697	2.1
297.97592	6.9
298.98541	1.4
299.99045	2.0
313.00003	8.9
313.05600	9.9
328.02344	3.7
329.02896	5.7
331.06808	3.7
423.05600	1.6
465.06369	1.6
483.07813	54.2
484.08371	5.2
491.12396	1.5
511.33295	1.5
521.21246	1.6
645.22137	1.4
655.20343	2.6
673.21429	90.1
673.37549	5.5
674.21753	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	673.2145
Annotation	Premithramycin A2'
Peak:m/z	Relative Intensity
59.01371	4.9
64.75594	1.1
67.01881	3.0
69.03418	1.1
69.08588	2.9
69.08987	5.2
71.01398	5.3
72.86258	1.1
72.99292	1.5
73.02962	1.2
79.01899	3.6
83.01376	2.7
85.02950	3.7
85.15410	1.0
87.00883	2.1
89.02435	1.3
95.01409	8.3
97.02945	1.8
99.00907	1.1
101.02457	2.6
107.01398	11.5
107.49712	1.1
107.54552	1.1
109.02961	1.8
110.00090	1.7
111.00919	8.0
113.02440	1.4
121.02956	3.7
123.00898	39.7
123.04545	1.2
124.01687	4.3
125.02458	40.5
127.00374	3.2
136.98839	5.8
137.02481	2.5
139.00398	17.2
139.04018	3.5
140.01163	11.5
141.01942	3.7
150.03209	1.9
151.00400	14.5
151.04001	2.1
153.01964	2.1
166.99841	4.1
168.00655	15.1
169.01442	44.6
170.01836	1.2
182.02263	1.2
183.02974	5.6
189.99478	1.0
194.87463	0.9
211.02463	7.1
225.04074	1.2
225.86888	1.2
268.07291	1.3
269.08200	1.8
271.04617	4.6
281.08206	1.8
282.08868	1.6
299.09256	2.5
300.10043	2.8
313.05750	1.3
314.11728	2.0
315.12454	4.0
326.11487	2.4
327.12387	3.0
329.13873	2.6
341.14069	2.5
343.11716	1.4
372.01529	1.2
400.68109	1.1
444.13596	1.1
462.15332	2.7
468.04028	1.3
476.16916	4.1
477.17825	12.2
478.17822	1.2
491.19403	3.5
537.16144	5.2
643.20361	100.0
644.20648	14.4
655.09692	2.4
655.20349	44.2
656.21069	5.8
673.21362	73.2
674.21161	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	673.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45017	0.6
59.01387	1.0
62.42239	0.6
66.23105	0.6
67.01894	1.1
69.03459	0.9
70.61459	1.0
70.61785	0.8
71.00635	0.6
71.01392	3.1
72.99284	1.0
79.01907	1.5
83.01389	0.8
85.02980	0.9
95.01420	2.9
96.96020	0.9
97.02961	1.4
101.02458	1.1
107.01398	10.6
109.02952	6.2
111.00902	2.2
112.64237	0.6
113.02465	1.3
118.94044	0.6
121.03004	1.2
123.00902	13.7
123.04532	1.5
124.01693	1.8
125.02461	53.6
126.02771	2.0
127.00370	0.8
136.98863	1.5
137.02463	2.0
139.00400	5.3
139.04031	1.6
140.01146	2.5
141.01953	2.3
147.04495	0.7
151.00378	9.7
151.04005	1.2
153.01964	1.0
155.61743	0.6
159.04552	2.7
161.02496	1.7
163.04105	0.6
165.01857	1.1
167.03456	1.5
168.00563	3.1
169.01443	61.3
170.01750	1.7
173.06146	1.6
177.02008	1.2
183.03041	3.8
189.05574	2.1
191.07089	1.0
203.07132	0.9
211.02574	1.1
213.05536	0.7
241.05202	4.5
242.05833	0.7
243.30411	0.7
249.03951	0.6
255.06709	2.5
257.00787	0.7
267.06766	1.3
275.02051	1.3
289.07297	0.8
298.08569	1.0
299.09378	3.7
299.99057	1.0
300.99985	5.2
302.00290	1.1
313.05670	12.4
313.10867	3.8
314.06076	1.0
327.07346	1.0
329.10480	1.4
343.12015	0.7
344.12643	10.3
345.13354	8.5
359.15009	17.4
360.15335	1.8
507.18198	0.7
673.21411	100.0
674.21582	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43093	0.7
59.01383	3.0
59.32625	0.6
67.01876	1.5
67.80251	0.6
69.03449	0.7
69.12844	4.4
71.01385	3.7
72.99321	1.2
79.01900	1.9
85.02962	1.6
86.27863	0.6
87.00854	0.9
89.02460	1.9
95.01402	2.5
98.21821	1.7
101.02471	2.5
107.01396	5.6
108.02189	4.5
109.02970	4.3
111.00876	3.2
113.02438	1.0
120.99649	2.1
121.02988	0.9
122.03732	0.8
123.00905	14.2
123.04559	0.8
124.01685	2.0
125.02459	22.5
125.03345	1.4
133.02948	1.0
136.98848	2.7
137.02443	1.8
139.00377	8.3
139.04068	0.9
140.01173	5.5
141.01939	2.1
149.02464	1.0
150.03186	0.8
151.00372	6.7
151.04077	1.0
152.01184	7.2
153.01984	2.1
161.02467	2.5
162.02779	0.9
163.03975	0.7
165.01852	1.0
165.05617	0.8
166.99907	0.7
167.03571	0.8
168.00656	9.2
169.01434	22.4
170.01881	1.1
173.06039	0.9
175.03952	0.8
179.03523	1.5
183.03015	2.2
201.81621	0.6
211.02504	3.7
211.88701	0.6
225.04105	0.8
240.36330	0.6
255.06813	1.1
271.04590	4.7
295.09790	1.1
297.06113	1.4
299.09253	1.0
300.99982	0.7
311.09183	1.7
313.05658	1.3
313.10992	1.4
315.07178	1.1
315.12711	0.9
330.22510	0.7
344.12738	2.4
345.13547	2.4
359.15189	3.3
476.09534	0.9
507.18726	2.2
622.32422	0.8
643.20282	0.9
673.21393	100.0
674.21796	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	673.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.5
57.03434	0.8
58.72134	0.4
58.99606	23.3
59.01097	0.5
59.01380	6.9
69.03363	2.7
69.03774	1.2
70.20177	0.4
71.01387	11.8
71.69091	0.4
73.02950	2.4
74.99101	0.9
83.01377	1.4
85.02959	5.5
86.15415	0.4
87.00880	12.1
89.02450	3.7
95.01389	0.8
98.21770	0.6
99.00889	1.2
101.02444	5.9
102.98605	99.9
103.98936	1.6
113.02448	5.0
119.03492	1.3
120.06676	0.5
120.98888	0.7
120.99679	8.0
121.02962	0.6
123.04514	0.5
125.02421	0.6
143.03514	0.8
161.04538	5.4
165.01883	0.5
166.06354	1.6
179.05627	1.0
180.99585	0.9
181.08836	0.7
192.99594	0.5
196.01997	1.0
205.07277	0.9
211.04388	1.8
241.05463	0.9
245.52332	0.5
249.06154	6.3
283.04944	100.0
284.05276	6.3
373.14890	2.1
418.17630	0.7
566.29639	0.5
654.06824	0.8
674.26160	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	673.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35862	0.5
50.86891	0.6
56.68354	0.6
59.01279	1.8
59.98726	0.6
66.86629	0.5
67.01826	0.8
68.97322	0.5
69.26198	3.8
69.69032	0.5
71.01270	5.1
71.01698	1.0
73.02864	1.3
81.03321	0.9
83.01265	1.8
85.02831	2.0
87.00771	0.6
91.01814	1.0
93.03381	1.3
94.13530	0.5
95.01295	1.3
96.99207	0.8
101.02438	3.6
102.83682	0.5
103.26384	0.5
107.01273	3.5
107.36086	0.5
108.02045	4.6
108.19936	0.5
109.02826	4.9
111.00803	1.4
113.02337	1.6
114.70979	0.5
116.92737	3.0
118.83863	0.6
121.02972	9.5
122.03761	7.9
123.00891	3.4
123.04385	10.5
124.01581	1.3
124.04842	0.7
125.02454	3.6
129.03395	0.7
134.03619	0.7
135.04350	1.7
137.02328	1.9
147.04544	4.8
149.05991	0.7
150.03085	0.7
151.00383	5.4
151.03876	0.9
152.01176	7.3
153.01828	2.4
154.02621	1.2
161.05948	1.9
163.03957	0.7
165.05589	17.5
166.02583	1.7
166.05782	0.7
167.03513	34.7
168.03714	1.0
169.01468	3.0
179.07167	6.0
181.05003	0.8
185.39540	0.6
195.02959	0.9
203.75560	0.7
209.08177	0.7
235.74811	0.6
251.05461	0.6
266.72595	0.7
271.04575	0.8
276.32672	0.6
296.05344	5.0
311.07742	100.0
312.08057	7.4
313.05774	1.0
313.14716	0.9
315.12439	2.3
346.14197	5.6
347.14880	3.2
361.16580	35.5
362.16971	2.8
643.95123	0.5
673.25470	20.9
674.25189	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	673.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	5.1
60.10435	1.4
60.65818	1.3
61.98827	2.8
65.00343	3.2
67.01907	1.8
71.01382	5.3
71.29140	1.4
73.02936	2.3
81.03439	1.4
83.01400	2.8
85.02999	2.5
91.01889	10.3
95.01405	4.1
96.95988	2.8
97.02999	1.8
101.02448	4.3
101.56693	1.5
104.51362	1.4
107.01421	4.4
108.02191	7.3
109.02995	10.4
111.00909	4.7
116.92858	2.2
121.02988	2.3
123.00910	6.6
123.04541	42.1
124.01643	3.8
125.02472	14.0
125.34864	1.5
127.68124	1.3
135.04494	3.2
137.02470	4.9
139.00418	2.1
149.02419	1.9
151.00389	4.5
151.04037	2.1
152.01212	10.9
153.01947	12.1
161.02516	2.3
165.05583	4.4
166.02689	2.5
166.06416	9.0
167.03510	100.0
167.07227	2.3
168.03882	3.9
168.13684	1.7
169.01454	11.4
177.02017	1.6
181.05078	17.7
181.08734	6.7
195.02975	2.2
209.04587	1.6
209.11850	9.4
235.86528	1.7
243.06570	8.6
285.04071	1.8
311.11450	4.2
313.05667	1.6
325.13104	4.2
343.14093	2.2
407.03778	1.6
475.15829	1.7
491.12811	1.7
491.19507	4.8
493.17313	16.0
494.17603	1.7
505.20853	2.0
511.16089	7.3
523.21997	3.3
659.63647	1.7
673.25049	83.7
673.34766	6.0
674.25513	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	673.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44106	0.9
59.01377	5.3
61.41751	0.8
61.98550	0.9
61.98819	5.3
69.78543	2.2
69.78960	2.7
71.01377	3.2
73.02982	1.2
80.05051	5.8
85.02990	1.5
86.20867	1.0
89.02437	1.1
94.06661	1.4
101.02448	2.5
101.25024	1.0
104.05061	1.4
106.06637	3.4
107.03786	4.1
108.04577	1.1
120.04561	1.3
122.06136	28.2
123.00928	1.3
123.04517	1.7
123.06514	1.3
125.02412	2.6
128.09874	0.9
132.96634	1.0
134.06133	7.6
135.04527	0.9
136.07684	1.0
137.09634	1.0
139.02773	1.0
146.06160	1.1
148.04124	1.3
149.02473	1.0
150.05603	1.1
152.07182	43.1
153.07555	2.0
155.10780	2.1
158.02466	0.9
160.04057	1.3
160.06418	2.7
161.02426	0.9
169.01427	1.9
169.12256	1.0
171.10350	1.4
174.05563	1.8
188.07158	3.4
190.05032	1.2
199.09770	1.3
199.13397	4.5
209.11841	27.5
210.12265	1.8
211.08810	1.6
213.10368	8.5
214.12521	1.0
225.10524	3.1
227.12999	12.8
235.08517	1.8
237.10390	1.7
239.11903	6.6
241.13435	5.5
242.99368	2.8
245.12985	4.1
250.07422	1.6
251.08253	1.3
251.12010	2.0
253.09656	5.9
263.08344	1.1
264.09146	1.1
265.09863	4.2
267.11374	2.0
269.98184	1.7
270.98856	26.4
271.99191	2.7
277.09985	2.1
278.06955	4.3
278.10699	1.5
279.07764	4.8
279.11194	1.3
285.00806	1.7
285.04044	8.0
285.07291	1.5
285.12476	19.0
286.12537	1.3
292.08469	1.3
293.09357	11.2
293.12894	3.5
294.10114	4.8
294.13269	1.5
295.10852	8.4
297.97577	3.2
298.98337	46.8
299.98798	6.2
307.10889	3.5
312.99930	4.4
313.12152	2.4
314.00714	68.5
315.01126	7.0
323.10364	4.6
324.10806	1.1
326.12686	1.1
329.03033	100.0
330.03366	9.6
337.08301	6.1
339.09454	1.2
342.12479	1.3
355.12988	1.7
356.13766	1.1
357.14526	2.0
358.15665	6.1
359.16064	1.5
384.13605	1.7
400.16672	8.2
401.17398	1.2
412.16791	2.3
417.16760	1.1
431.18481	1.1
432.19385	1.6
459.17838	3.4
460.18839	5.3
473.32663	13.2
474.20438	4.4
474.33209	3.2
475.33716	4.0
476.18347	1.2
486.16360	1.5
503.16876	2.7
504.17697	11.5
505.17719	1.6
518.19330	13.8
519.19482	2.0
523.23633	2.8
536.20654	1.3
537.25769	1.2
550.22015	17.8
551.22375	4.2
565.24591	38.2
566.24762	8.6
597.27283	5.4
598.26624	1.1
609.23553	23.3
610.23956	4.3
641.26196	51.3
642.26550	11.8
673.18018	1.8
673.29010	7.9
673.36755	1.5
674.28296	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78323	0.5
59.01392	3.2
61.98824	1.4
69.07857	2.0
69.08282	2.5
70.28150	0.5
71.01381	3.4
73.02956	1.7
81.03455	1.6
83.05031	0.9
85.02946	2.7
87.00845	0.8
89.02448	0.9
93.03463	0.9
95.01395	2.4
99.00895	0.7
101.02479	1.3
103.85685	0.7
108.02184	55.3
109.02972	36.6
110.03305	1.6
111.00927	0.9
113.02447	1.7
116.92888	1.4
121.02988	1.4
123.00896	3.3
123.04535	2.0
124.01666	0.7
125.02425	2.4
125.09738	0.9
133.02997	3.2
135.00977	0.8
135.04527	2.9
137.02464	1.6
139.00365	1.8
139.04053	0.7
140.01207	1.5
151.00328	0.8
151.04002	1.3
152.01169	61.8
153.01964	18.2
153.05592	1.3
154.02620	0.8
155.03535	0.5
161.02466	8.5
161.04597	0.6
163.04068	1.1
163.11310	0.9
164.04837	0.5
165.01990	1.5
167.03465	0.8
169.01448	1.5
169.05002	0.9
177.05640	1.0
179.03526	2.2
181.05072	0.9
181.12524	0.7
183.10300	1.0
185.11815	1.4
209.08403	0.8
209.09862	1.0
209.11850	19.8
210.12137	1.0
211.02597	0.7
221.04697	0.7
225.11386	0.7
227.12825	2.7
253.09343	1.4
300.99930	13.3
301.03311	1.0
302.00366	1.1
323.07739	1.3
327.12500	0.6
327.69217	0.6
329.23334	0.7
347.16403	0.6
357.26581	1.5
373.25909	2.4
375.27539	24.4
376.27866	2.1
389.25259	0.8
391.27103	2.8
473.32587	0.9
475.34683	0.7
493.13538	5.7
494.14035	1.0
506.65649	0.6
511.35681	0.9
534.37250	0.5
611.13910	0.6
673.34381	100.0
674.34644	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	673.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42161	0.1
57.03444	0.2
58.54126	0.1
59.01379	2.3
61.98835	1.3
65.56587	0.1
68.09657	0.2
69.01894	0.1
69.03461	0.1
71.01387	2.0
71.05007	0.3
72.99323	0.2
73.02946	0.6
80.02697	0.9
81.03471	1.1
83.01392	0.2
83.05031	5.0
84.02174	1.0
85.02940	0.7
87.00889	0.3
89.02446	1.3
89.98044	0.1
90.00580	0.2
93.03484	0.4
95.01411	0.3
95.05031	0.7
97.06609	0.3
98.22624	0.3
101.02438	1.8
108.02148	0.4
109.02965	0.4
109.06629	0.2
113.02470	1.1
119.03455	0.2
122.03706	0.2
123.04533	0.1
123.08150	0.1
125.02483	0.3
125.06064	0.5
125.09742	0.5
135.08165	0.8
149.09729	0.2
150.06915	0.3
152.01160	0.2
161.02475	0.2
161.04565	0.6
163.11308	3.6
164.11588	0.2
165.12865	2.2
166.13173	0.2
169.01469	0.3
171.10280	3.0
179.10861	0.2
181.12442	0.7
183.10266	0.2
185.11865	0.3
191.10774	0.9
199.13406	0.5
207.10271	0.3
209.11844	100.0
210.12189	5.7
211.13504	0.3
221.11845	0.5
223.13222	0.2
225.11401	0.2
227.12903	12.4
228.13179	0.7
231.81618	0.2
235.08209	1.5
247.13422	1.5
253.09299	5.5
254.09709	0.5
265.14481	0.6
309.11417	0.3
327.12399	0.4
383.15213	0.2
401.23273	0.4
419.24594	0.3
445.20645	0.7
450.58859	0.1
473.32867	1.9
474.33380	0.5
475.33517	0.3
489.32132	0.2
511.35776	0.2
611.30884	0.3
637.32379	0.9
655.33789	0.2
673.20966	0.1
673.23315	0.1
673.35437	0.5
673.39642	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.2
59.01387	2.2
70.44387	0.4
71.01383	2.2
73.02932	0.3
80.02677	1.0
81.03453	1.4
83.01405	0.5
83.05025	4.4
84.02169	0.8
85.02946	0.8
86.46583	0.2
89.02445	1.2
93.03448	0.4
95.01398	0.3
95.05016	0.6
97.02986	0.3
101.02470	1.4
113.02456	0.9
125.06099	0.5
125.09698	0.5
135.08203	0.4
161.04526	0.6
163.11298	3.8
165.12851	2.2
171.10289	2.8
179.05614	0.3
181.12325	0.6
191.10797	1.0
199.13429	0.3
209.11845	100.0
210.10265	0.5
210.12178	6.3
211.13319	0.3
221.11958	0.4
227.12904	13.3
228.13229	0.9
235.08136	1.7
247.13367	1.4
253.09302	5.9
254.09673	0.4
265.14392	0.2
401.23465	0.4
412.39789	0.3
420.42139	0.2
445.20734	0.6
504.34381	0.2
637.32385	0.6
655.33374	0.4
656.68567	0.3
673.33942	0.5
675.21796	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.1
59.01381	7.1
61.98841	5.8
61.99999	1.1
64.39301	1.1
69.06301	7.2
71.01389	19.4
71.07774	1.1
72.99329	1.3
73.02942	3.6
73.92300	1.4
81.03471	2.0
83.05030	6.3
84.02155	1.7
85.02940	1.9
87.00897	1.4
89.02452	3.8
93.03474	1.1
97.02960	1.7
99.00883	1.6
101.02431	6.0
108.02167	2.0
109.02946	2.1
109.06612	3.8
113.02459	4.8
116.27405	1.2
119.03535	1.4
120.48562	1.1
121.56425	1.2
123.04509	2.7
125.02448	1.7
125.09751	2.5
127.11121	1.5
136.01678	1.5
149.06079	1.1
156.97168	1.0
161.04582	2.6
163.11295	6.5
165.12848	4.1
171.10303	12.5
181.12373	3.3
183.13924	10.3
185.11800	2.6
187.09776	1.5
191.10789	2.0
191.30676	1.2
197.11740	1.1
199.13388	14.5
201.11356	11.8
207.10309	10.0
209.11842	100.0
210.12190	6.1
211.13397	36.5
212.13734	1.7
215.12775	1.7
225.11337	13.2
227.12900	46.8
228.13231	2.4
229.14554	1.7
235.08258	4.9
243.12343	1.8
247.13347	2.6
247.61539	1.1
253.09285	11.9
285.26169	1.4
285.40366	1.2
401.23340	3.6
419.24442	2.3
443.19702	1.3
445.20865	2.6
461.20081	1.7
463.21936	2.1
475.34195	3.6
597.03357	1.1
637.32098	5.0
655.33295	8.9
673.13922	1.2
673.24054	1.9
673.33966	13.1
674.34583	2.5
693.65063	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.0
58.00591	3.3
59.01389	13.1
61.98808	3.3
69.03464	1.3
69.42296	1.3
69.89277	1.3
71.01388	43.2
73.02936	5.2
77.92417	1.6
81.03458	4.1
82.16707	1.4
83.01379	2.0
83.05029	6.3
85.02957	2.1
87.00866	2.6
87.17220	1.1
89.02447	6.1
95.01338	1.8
97.02959	2.2
97.06535	1.3
98.22629	3.3
99.00866	1.9
101.02462	7.9
107.44281	1.3
109.06599	4.2
111.00866	2.1
111.04559	1.3
111.89951	1.3
113.02443	4.7
119.03506	1.5
123.08160	1.3
125.09718	4.8
127.11331	1.9
135.08127	1.8
151.03996	1.9
161.04491	2.1
163.11284	8.0
165.12878	3.4
171.10286	13.4
181.12341	3.3
183.13919	11.2
185.11813	2.9
187.09679	1.8
197.11813	2.6
199.13406	25.4
201.11333	19.5
207.10284	13.5
207.13838	2.0
209.11842	100.0
210.12189	7.6
211.13428	61.6
212.13705	3.1
223.09756	1.5
225.11353	15.8
227.12904	67.4
228.13235	4.7
229.14354	1.6
235.08180	5.9
235.13428	4.4
243.12402	2.3
247.13400	4.3
253.09326	16.2
253.14447	2.1
301.03815	1.5
327.12390	1.7
383.22028	2.8
401.23297	5.8
419.24170	4.7
445.21185	1.6
461.19989	3.8
463.21988	9.1
574.62146	1.4
637.32343	7.8
655.33185	10.6
656.33575	2.9
673.24158	2.0
673.34406	17.4
674.33893	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	673.3749
Annotation	Hymenocardine
Peak:m/z	Relative Intensity
55.68616	0.9
59.01387	6.8
61.98835	2.4
67.66047	1.2
69.07188	9.3
72.99604	1.0
95.40475	1.0
117.03479	47.2
118.03824	1.8
119.05034	4.2
120.64889	1.0
121.02972	13.9
123.04508	3.7
133.02954	3.0
134.03728	2.7
135.04573	1.3
145.02968	93.4
146.03261	4.9
151.15602	1.0
161.02487	4.0
162.03218	3.7
163.04041	5.1
173.02449	8.3
182.79448	1.0
189.01973	3.7
191.03513	1.1
312.77322	1.1
315.11545	0.9
387.72919	1.2
451.32202	7.3
452.32382	1.7
504.98596	1.1
543.48859	1.1
572.36871	1.1
613.35315	15.7
614.36023	3.4
635.39594	5.8
637.41107	2.3
673.37494	100.0
674.37830	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	674.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86950	17.5
58.10146	20.9
61.98824	23.9
71.50873	20.0
77.76077	21.7
78.95906	58.3
88.69725	20.2
111.04504	38.6
113.09700	22.4
121.67051	18.7
125.06104	33.1
153.53355	22.4
181.08722	100.0
182.08990	21.6
187.70326	19.8
209.08148	55.9
209.11874	31.4
212.06874	19.7
277.21649	88.8
279.23425	27.2
364.24503	26.2
425.21658	35.8
439.20657	56.0
675.27240	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72231	1.7
59.01382	2.6
61.98823	2.8
69.18174	2.9
69.18572	8.1
71.01397	4.7
71.05029	1.9
72.99317	1.3
79.01891	3.2
80.42216	1.4
83.01446	2.2
83.86194	1.7
85.02930	1.9
85.17512	1.6
95.01381	1.8
97.02965	3.1
107.01408	8.3
109.02985	1.6
109.06609	2.4
111.00889	4.7
111.04531	6.9
121.02911	1.8
123.00890	11.3
123.04597	3.5
123.08131	1.6
124.01676	4.4
125.02457	85.7
126.02833	2.7
135.04529	1.8
136.98763	2.3
137.02435	3.7
139.00365	4.7
139.04050	11.8
140.01216	4.3
151.00381	7.0
161.02502	2.1
165.01941	2.0
165.09212	16.2
168.00665	9.0
169.01436	100.0
170.01794	6.4
172.24133	1.8
177.01967	2.7
193.01401	2.0
209.06209	1.9
209.08208	38.3
209.11852	5.8
210.08533	2.2
211.02490	9.3
221.04588	14.1
227.13048	1.8
278.04129	1.6
287.05594	2.3
295.04608	6.1
308.24426	1.5
313.05606	24.3
371.13074	2.1
391.26971	4.3
423.05948	1.8
465.06714	36.4
465.13278	2.1
466.06799	3.5
483.07489	2.1
523.14490	8.1
631.15991	2.0
675.15643	99.2
676.15826	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01342	2.1
61.98804	3.0
67.01853	1.1
69.03424	1.7
71.01344	2.8
71.05000	1.2
71.29606	1.0
71.52557	0.8
72.99302	1.0
74.51129	0.8
79.01895	1.1
81.03436	1.3
83.01378	1.1
85.02918	2.3
88.98729	0.9
93.03419	1.8
95.01344	2.7
95.05032	1.8
96.13968	0.8
96.35744	0.9
97.02943	3.8
99.00905	0.8
101.02396	1.9
101.38400	0.7
107.01392	10.1
109.02898	3.0
109.06561	1.0
111.00813	3.5
111.04448	3.6
121.02951	1.3
123.00890	9.3
123.04482	0.9
124.01611	2.7
124.04016	0.9
125.02457	92.0
126.02805	3.8
127.00340	1.9
133.02928	1.3
135.04483	1.5
136.98737	1.8
137.02368	3.2
138.03117	0.8
139.00388	5.5
139.04025	9.6
140.01157	3.8
141.01898	1.7
143.03421	3.4
149.02393	1.2
151.00424	3.9
151.03952	1.4
153.01837	1.0
164.04782	1.8
165.01859	1.9
165.09230	8.4
166.99817	3.0
167.03375	2.4
168.00656	8.7
169.01439	100.0
170.01775	3.7
177.01830	0.9
179.06982	1.3
183.02873	1.5
187.67128	0.8
193.01329	2.4
209.08205	23.9
209.90710	0.9
210.08549	1.0
211.02438	4.7
237.68541	0.8
241.03485	1.0
243.06532	1.6
253.03384	1.2
265.01822	0.9
271.04471	2.2
295.04520	5.0
300.99835	1.8
313.00024	1.0
313.05661	24.0
314.00281	1.7
314.05640	1.5
315.01559	1.0
423.05615	1.4
465.06769	35.7
466.07190	4.0
483.07605	2.1
494.13821	3.5
495.15341	1.0
505.13065	1.1
519.53351	0.9
523.14240	3.8
551.17218	1.2
605.10968	0.9
612.10144	1.9
657.22229	1.2
675.14722	66.9
675.35168	2.1
676.15411	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	675.157
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.0
59.01369	2.9
61.98824	3.4
62.56482	1.4
68.98861	7.1
68.99292	6.3
69.03468	3.1
71.01370	2.8
81.03454	4.2
83.01371	3.1
93.03445	1.8
95.01381	2.0
95.40641	1.3
96.96027	2.3
97.02927	2.4
107.01405	9.1
109.02934	1.8
111.00888	2.5
113.03603	7.2
121.02948	1.7
123.00887	7.3
124.01740	1.7
125.02456	81.4
125.06094	7.8
126.02811	2.6
126.48377	1.6
137.02446	5.3
138.05630	15.2
139.05946	1.4
140.01155	2.9
143.03491	2.8
149.02475	2.2
151.00406	5.1
151.04008	2.4
155.08224	1.9
165.09222	14.6
166.99847	2.3
167.03494	3.5
168.00645	4.2
169.01439	89.0
170.01817	2.6
177.01950	2.1
179.03467	1.8
180.04236	1.3
192.12555	1.6
209.08199	35.9
211.02467	2.0
271.04330	2.0
295.04449	2.4
313.05692	22.1
314.06137	1.9
371.90573	1.7
450.26102	6.1
451.26694	7.2
465.06769	14.2
523.14380	3.2
675.15472	100.0
676.15887	18.3
686.19843	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.8
59.01371	2.6
61.98823	8.0
67.16277	1.0
69.03455	1.4
69.85770	2.2
69.86151	2.3
71.01379	4.0
81.03439	3.5
83.01386	2.9
85.02937	2.1
93.03449	2.7
95.01378	1.6
96.96011	1.1
97.02969	4.0
98.22497	1.4
99.55904	1.1
101.02437	2.2
107.01397	7.9
109.02979	1.9
111.00861	2.1
111.75143	1.2
118.09195	1.2
121.02955	1.5
122.03696	1.7
123.00066	1.3
123.00886	5.5
123.04505	3.0
123.08186	1.8
124.01699	2.2
125.02456	88.8
125.06074	5.1
126.02778	3.0
135.04561	1.3
137.02487	6.6
137.06023	1.1
139.00401	2.5
140.01187	1.2
143.03539	2.9
147.04543	1.4
149.02504	6.1
151.00386	5.8
151.03995	1.3
153.01976	1.7
164.04799	8.5
165.01949	2.2
165.09216	17.4
166.99881	1.0
167.03534	7.3
168.00645	4.1
168.04262	1.6
169.01437	85.8
170.01797	3.4
179.03580	1.9
179.07158	5.6
191.03633	1.1
193.01428	2.0
209.08202	32.9
210.08478	1.4
211.02475	1.6
237.03923	1.7
253.03545	1.4
271.04858	1.7
275.09506	1.3
281.06793	1.2
289.07120	4.5
295.04459	2.9
311.07858	6.8
313.05609	23.0
439.08826	1.6
444.75409	1.4
465.06799	14.5
466.07056	1.7
495.15182	4.8
498.33197	1.2
498.53976	1.1
505.14008	1.4
523.14697	3.5
591.10065	2.8
675.15613	100.0
676.15979	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.7
59.01372	1.0
61.98828	1.1
67.01882	1.0
69.03456	2.0
69.03804	0.4
69.57504	1.6
69.57910	1.0
71.01384	2.4
71.05019	1.5
73.02958	0.8
79.01900	1.9
81.03461	1.2
81.67506	0.4
83.01401	0.6
83.05073	0.5
85.02951	1.0
85.06607	1.0
86.30557	0.4
87.00860	0.9
87.04520	0.5
95.01404	1.2
95.05037	4.0
97.02955	2.7
101.02467	1.3
107.01412	8.8
109.02987	1.2
109.06609	1.4
111.00888	1.9
111.04536	3.2
113.02477	1.1
121.02920	0.5
123.00894	5.4
123.04556	0.6
123.08183	1.9
124.01662	1.3
125.02462	70.3
126.02760	2.1
127.00349	0.6
128.10551	0.4
135.04546	1.0
136.98830	0.9
137.02444	1.7
137.06116	0.6
139.00414	2.4
139.04031	11.9
140.01212	2.7
140.04298	0.6
142.42737	0.6
143.03531	1.7
147.08202	0.8
150.06966	0.6
151.00409	3.5
151.04054	0.5
153.02011	0.9
161.02487	0.8
163.03955	1.0
163.07642	0.4
165.01942	1.4
165.09227	24.1
166.09534	1.5
167.03476	0.8
168.00623	3.7
169.01442	74.9
170.01831	3.3
179.03517	0.8
181.05064	0.7
185.11890	0.8
189.01772	0.7
191.07172	1.6
193.01471	1.3
201.40820	0.5
207.03024	0.6
209.08214	56.3
209.11853	5.4
210.08594	4.0
210.12209	2.7
211.02495	2.6
211.13432	1.0
227.12775	0.8
233.08260	1.1
237.04103	1.0
251.09302	0.8
253.03609	0.9
271.04642	1.0
275.09042	0.5
278.09839	0.5
295.04599	2.2
313.05692	18.3
314.06052	1.7
327.12521	0.7
335.11346	0.6
390.20511	0.4
423.05829	0.7
427.32294	0.6
465.06824	11.1
466.07050	1.3
471.31342	0.7
505.13544	0.8
523.14539	4.4
657.29443	0.4
675.15710	100.0
676.16071	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.0
58.79875	0.6
59.01383	1.5
62.49572	0.7
67.01890	2.0
71.01387	1.7
71.06567	1.0
79.95729	2.7
81.03439	0.6
83.05022	0.9
83.53729	0.7
85.02956	11.6
87.00877	5.3
93.03466	12.4
96.96017	66.4
109.02950	2.7
111.00912	0.7
111.04517	2.2
115.20504	0.6
119.05042	1.7
123.04536	1.4
125.02465	4.5
127.04015	2.4
137.02477	3.7
143.05029	1.0
151.03996	1.5
155.03500	1.5
161.02472	1.3
163.03989	2.8
165.01915	1.7
169.01387	0.8
171.03015	0.7
173.04553	4.9
173.05873	0.8
175.04005	1.1
191.05624	100.0
192.05939	3.8
195.06676	1.0
203.25110	0.6
205.05122	0.9
211.07639	2.9
225.07724	1.2
231.02827	0.8
243.03214	0.7
245.08185	0.9
265.08871	0.9
268.15051	0.6
275.02148	0.9
289.07306	3.5
300.99847	2.0
327.08820	3.1
337.09357	3.4
339.68375	0.7
407.07651	1.2
425.09012	1.5
453.17792	1.4
463.03647	3.1
483.12808	1.3
576.17438	0.8
675.19324	37.0
676.19580	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	675.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.7
61.98809	2.0
64.79449	1.8
71.29556	1.9
80.75057	1.5
81.03461	3.8
83.01392	6.0
91.90726	1.6
93.03452	5.9
93.65543	1.4
95.01376	4.0
95.05064	3.1
97.02953	5.4
97.41426	1.6
107.05054	2.6
108.02184	3.4
109.02958	28.4
109.44380	1.7
111.04542	2.2
121.02953	9.1
123.00871	7.8
123.04624	3.7
124.01673	4.7
125.02457	85.4
126.02796	3.3
135.04533	4.7
137.02455	69.1
138.03197	5.0
139.04030	30.0
147.04515	5.0
149.02463	25.5
149.06142	2.2
150.03067	1.9
151.03992	12.0
152.01143	3.4
159.04489	2.6
161.02403	3.7
163.03917	4.1
164.01141	7.6
164.04810	2.3
165.01920	21.7
167.03499	31.4
169.01407	11.0
175.04019	4.3
176.01115	7.9
177.01932	28.4
177.05505	3.5
179.03519	16.3
181.05118	2.4
189.01889	2.8
190.02731	8.8
191.03529	21.6
203.03543	2.5
204.04326	5.3
205.05078	13.3
206.05766	4.1
213.05635	3.5
219.06654	11.1
220.07166	1.9
221.04610	6.1
223.06160	2.0
229.05048	8.3
231.06628	82.8
232.06927	5.3
236.11845	2.2
249.07660	2.9
255.06602	3.0
261.04135	2.0
273.07693	55.0
274.08072	3.0
299.05637	8.1
301.93423	2.1
305.06696	70.5
306.07062	4.7
317.06668	100.0
318.06995	8.6
347.15051	2.5
357.13278	3.7
413.15561	2.0
444.39551	1.7
494.10052	2.9
631.30615	1.9
675.20636	18.6
675.35437	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	675.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23155	0.5
51.67005	0.6
59.01375	2.4
61.11589	0.8
61.98857	0.9
69.03468	0.7
69.23239	4.7
69.49210	0.7
71.01394	5.6
74.99106	3.7
79.01909	1.4
83.01413	1.0
85.02975	1.9
87.00865	1.5
93.03448	0.8
95.01402	2.3
96.95961	0.8
97.02979	1.9
101.02464	3.1
102.98595	2.3
104.98180	2.0
107.01389	11.1
108.02187	0.7
109.02959	3.1
111.00890	2.5
113.02480	3.2
118.14754	0.7
121.02962	2.9
122.03763	2.3
123.00895	13.2
123.04535	0.9
124.01698	2.0
125.02459	58.4
126.02831	1.6
127.00415	1.6
135.04549	1.1
136.98856	1.6
137.02469	2.2
138.03278	0.7
139.00406	5.2
139.04062	3.6
140.01193	4.0
141.01967	1.3
147.04515	2.3
151.00388	8.8
151.04068	0.9
153.02022	1.0
161.02496	0.9
161.06056	0.8
163.04005	0.8
165.01942	2.1
165.05577	6.5
165.09207	1.2
167.03522	0.7
168.00644	5.6
169.01440	70.3
170.01768	2.6
174.65977	0.7
179.07156	2.7
183.03020	4.1
195.06622	0.9
206.62828	0.7
209.08182	4.6
211.02505	2.6
237.04442	1.5
253.03430	0.9
283.05081	1.4
284.05350	0.9
285.04724	2.8
289.07202	5.1
299.04572	2.4
309.05981	0.8
313.05676	15.5
314.06006	1.6
327.07410	1.9
346.14233	1.8
347.14987	4.1
361.16589	6.8
368.44461	0.8
492.72992	0.8
523.14667	13.4
524.15100	2.8
675.22919	100.0
676.23242	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	675.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75787	0.7
53.15133	0.7
57.03466	0.8
57.53530	0.7
59.01381	4.4
61.98828	3.6
65.00352	0.8
67.01900	1.5
71.01398	4.6
71.28411	1.3
71.89680	0.7
72.99331	1.7
73.02973	1.0
75.00912	0.7
79.01934	2.2
81.03480	1.5
83.01410	2.1
85.02978	2.4
87.00900	1.8
89.02479	2.2
93.03493	1.4
95.01404	3.3
97.02980	1.1
99.00894	1.4
101.02471	2.5
107.01390	4.5
108.02212	1.7
109.02985	3.4
111.00908	6.7
113.02475	1.7
116.92925	1.6
119.03535	1.0
122.03786	1.0
123.00893	18.3
123.01762	1.0
124.01688	2.4
125.02456	27.2
125.03348	1.4
127.00405	1.7
135.04585	1.4
136.98810	3.7
137.02464	2.7
139.00375	9.4
139.04062	1.3
140.01181	9.0
141.01997	1.5
148.05246	1.2
149.02542	1.4
149.06137	1.7
150.03142	0.9
150.06549	0.7
151.00377	6.0
151.04027	1.3
152.01180	1.9
153.01950	2.4
161.02515	1.2
164.04808	1.6
165.05679	1.0
165.09212	1.4
166.02655	0.7
166.99925	2.5
167.03543	2.5
167.07159	15.4
168.00658	14.8
168.07394	0.8
169.01437	38.6
170.01797	1.0
177.04105	3.3
179.03537	1.4
179.07159	1.2
183.03035	1.0
191.03667	0.8
193.01413	1.2
196.65927	0.8
207.03125	1.0
209.08269	3.5
211.02473	10.1
211.04317	1.1
233.08311	2.4
241.03526	1.0
251.09399	1.8
271.04562	3.9
285.47778	0.8
287.05600	1.0
297.06281	1.9
313.05777	3.1
329.05374	1.7
329.12463	18.6
330.13055	1.5
391.26959	1.0
465.06631	6.1
471.31418	1.5
473.32968	3.0
474.33377	3.3
475.33688	5.4
480.12601	4.1
481.13394	8.3
482.13843	1.2
505.13757	1.3
523.14764	2.9
523.22284	2.7
560.52563	0.9
656.62671	1.0
675.23242	100.0
675.33527	3.6
676.23584	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	675.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83981	0.9
53.48579	0.9
61.98832	1.4
67.01887	1.6
69.03456	1.4
69.17529	7.1
71.01392	2.8
79.01893	1.0
83.01424	1.2
85.02943	1.4
93.03455	1.7
95.01387	1.3
96.96028	1.2
98.21751	1.4
101.02425	1.3
107.01399	7.2
109.02963	5.2
111.00902	2.7
121.02965	3.7
122.03735	2.8
123.00913	11.4
123.04558	2.0
124.01690	1.9
125.02460	48.6
126.02827	1.5
136.98776	1.2
137.02461	2.7
138.80070	1.2
139.00404	3.7
140.01187	3.0
151.00436	5.8
151.04048	1.4
153.01941	4.3
153.14278	1.1
165.05554	5.7
167.03465	1.8
168.00639	5.3
169.01437	56.4
170.01787	2.0
183.02971	4.5
211.02551	1.4
243.03050	1.2
275.82208	1.0
297.06241	2.8
300.99957	1.2
313.05624	13.1
327.07205	1.3
346.14404	1.9
347.14969	5.7
361.16779	4.1
513.16821	1.7
675.22961	100.0
676.23444	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	675.23
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54288	0.7
57.03430	0.5
57.15619	0.5
59.01388	4.3
60.47490	0.5
67.01888	0.7
69.03459	1.2
70.43568	1.0
71.01400	3.7
72.99325	0.9
73.02939	0.7
74.99126	0.5
79.01917	0.8
83.01404	1.2
85.02972	1.5
87.00884	1.6
89.02470	1.2
93.03486	0.7
95.01405	2.6
96.96002	1.3
97.02963	1.0
98.22433	0.7
101.02489	3.0
107.01396	6.2
109.02969	2.4
111.00893	5.3
113.02441	0.9
114.77848	0.5
119.03523	0.6
121.02967	2.0
122.03773	1.2
123.00901	15.7
123.04539	1.7
124.01688	1.6
125.02457	22.8
125.03337	1.3
126.02822	1.1
127.00400	1.0
127.19533	0.6
130.54176	0.6
135.04561	1.7
136.98848	2.5
137.02466	1.3
139.00385	6.3
139.04021	1.5
140.01207	4.4
141.01923	1.6
147.04559	0.7
148.05272	0.7
149.02481	1.0
149.06068	0.6
151.00377	5.6
151.04047	2.1
152.01212	0.8
153.01958	1.9
161.06096	0.9
165.05580	1.3
166.99954	1.4
167.03517	1.6
167.07138	1.6
168.00642	8.3
169.01436	25.1
170.01758	0.8
177.04129	0.8
180.07909	1.4
181.01436	0.8
181.08711	1.5
182.02206	0.7
183.02995	4.4
195.02907	0.6
195.06651	0.8
211.02492	9.7
212.02861	0.9
218.72534	0.5
223.02313	0.7
225.04048	1.0
229.35565	0.6
245.23817	0.5
271.04562	7.1
275.02106	1.1
277.86304	0.6
289.07291	1.6
300.96765	0.6
301.00076	2.1
311.07892	1.0
313.05621	0.8
317.14026	1.4
329.13895	1.1
331.15625	1.7
342.13379	1.0
347.14868	1.6
357.13531	0.7
371.13568	2.0
479.19382	1.3
491.19131	1.4
493.20953	0.7
509.20322	3.3
523.21826	0.8
657.21234	1.1
675.22931	100.0
676.23218	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64911	1.1
54.52060	0.9
55.01865	1.1
59.01384	2.4
60.72998	0.9
61.44433	1.0
67.01901	2.1
67.38956	0.9
67.62610	0.8
67.75468	0.9
68.99816	0.9
71.01392	3.9
71.32400	0.9
72.99330	1.4
79.01904	1.7
83.01369	1.5
85.02952	1.6
89.02487	1.2
95.01394	3.7
96.96009	0.9
97.02979	1.2
98.21745	2.1
101.02467	2.4
107.01402	4.9
110.00045	1.1
111.00876	4.9
121.02962	1.9
123.00896	22.0
123.04549	4.1
124.01736	2.0
125.02469	19.9
127.00417	1.5
135.04523	1.6
136.98828	1.8
137.02519	1.9
139.00374	9.6
139.04001	1.4
140.01192	5.2
141.01955	3.0
149.02455	0.9
151.00363	8.3
153.01912	2.1
165.01863	1.6
165.05574	1.7
166.06288	2.4
166.99878	2.8
167.03510	9.8
167.07184	2.1
168.00667	11.5
168.03812	1.8
169.01425	25.9
178.18102	1.1
179.07179	1.1
181.05185	1.1
181.08778	2.9
183.02997	3.8
191.03476	1.7
211.02446	6.3
229.34477	1.0
244.51268	1.1
248.47952	0.9
256.07266	0.9
271.04706	2.7
271.09958	1.4
297.06152	1.2
302.28629	1.2
311.07727	4.8
312.08185	4.9
313.08490	1.9
329.12476	4.7
343.14233	2.1
361.16599	1.7
362.17035	1.6
363.17044	1.5
494.14734	1.6
495.15152	5.3
509.16922	1.4
675.22980	100.0
676.23193	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	675.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03987	0.6
54.23928	0.7
57.18037	0.7
59.01384	2.9
61.98835	1.3
67.01900	1.0
68.99831	0.7
69.02496	5.7
69.03470	0.7
71.01383	2.5
72.54810	0.6
72.99329	1.0
79.01902	1.3
83.01404	1.8
85.02975	1.1
87.00906	1.1
95.01415	3.2
96.96021	1.7
97.02975	1.3
99.00948	0.7
101.02446	1.2
107.01395	11.2
109.02980	3.2
111.00887	5.8
113.02387	1.2
114.65714	0.7
119.18163	0.7
120.87309	0.7
121.02996	1.8
123.00910	10.9
123.04543	3.0
124.01697	3.5
125.02462	28.5
126.02830	1.6
127.00433	2.2
135.04562	1.7
136.98849	2.6
137.02466	4.2
137.06136	2.1
139.00380	7.2
139.04019	6.0
140.01166	5.9
150.03229	0.8
151.00333	4.8
151.04048	1.7
152.01155	0.9
153.01984	2.6
165.05592	1.1
166.99937	0.8
167.03529	2.0
168.00668	10.7
169.01437	27.5
170.01816	2.1
177.47272	0.7
179.03554	0.9
181.01463	1.6
181.05078	3.6
183.02986	10.5
195.06691	0.9
211.02498	3.5
212.02786	0.9
213.02853	1.1
239.05675	1.0
245.08200	1.4
271.04559	4.1
272.04990	2.7
273.05139	2.4
289.07300	3.2
300.99893	1.6
313.05612	1.9
331.06726	1.0
345.09897	1.8
347.15179	0.8
359.11517	3.4
361.13025	0.9
404.65244	0.9
493.14197	1.1
499.16214	1.9
523.18555	1.0
541.17590	0.9
675.22968	100.0
676.23370	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	675.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03987	0.6
54.23928	0.7
57.18037	0.7
59.01384	2.9
61.98835	1.3
67.01900	1.0
68.99831	0.7
69.02496	5.7
69.03470	0.7
71.01383	2.5
72.54810	0.6
72.99329	1.0
79.01902	1.3
83.01404	1.8
85.02975	1.1
87.00906	1.1
95.01415	3.2
96.96021	1.7
97.02975	1.3
99.00948	0.7
101.02446	1.2
107.01395	11.2
109.02980	3.2
111.00887	5.8
113.02387	1.2
114.65714	0.7
119.18163	0.7
120.87309	0.7
121.02996	1.8
123.00910	10.9
123.04543	3.0
124.01697	3.5
125.02462	28.5
126.02830	1.6
127.00433	2.2
135.04562	1.7
136.98849	2.6
137.02466	4.2
137.06136	2.1
139.00380	7.2
139.04019	6.0
140.01166	5.9
150.03229	0.8
151.00333	4.8
151.04048	1.7
152.01155	0.9
153.01984	2.6
165.05592	1.1
166.99937	0.8
167.03529	2.0
168.00668	10.7
169.01437	27.5
170.01816	2.1
177.47272	0.7
179.03554	0.9
181.01463	1.6
181.05078	3.6
183.02986	10.5
195.06691	0.9
211.02498	3.5
212.02786	0.9
213.02853	1.1
239.05675	1.0
245.08200	1.4
271.04559	4.1
272.04990	2.7
273.05139	2.4
289.07300	3.2
300.99893	1.6
313.05612	1.9
331.06726	1.0
345.09897	1.8
347.15179	0.8
359.11517	3.4
361.13025	0.9
404.65244	0.9
493.14197	1.1
499.16214	1.9
523.18555	1.0
541.17590	0.9
675.22968	100.0
676.23370	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	675.266
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.3
59.01380	1.2
68.95252	0.8
71.01385	1.2
71.29301	1.4
81.03453	2.0
83.01392	3.5
88.09180	0.9
93.03465	2.5
95.01402	1.4
95.05030	3.3
96.96020	3.9
97.02960	5.9
107.05011	1.1
108.02150	1.6
109.02953	26.7
110.03289	1.2
112.75748	0.8
116.83949	0.8
118.91721	0.8
119.04981	0.8
121.02953	4.8
122.03741	1.7
123.04540	17.5
125.02463	19.5
126.02776	0.9
131.09488	0.8
135.04527	2.8
137.02448	11.6
139.04002	3.9
149.02431	5.7
150.03212	1.7
151.03986	8.9
159.04512	3.1
160.05290	2.0
161.02432	1.0
161.06114	5.6
162.03223	1.0
163.03926	1.9
164.01143	3.6
165.01945	7.7
165.05724	0.8
167.03561	1.9
167.07295	0.9
169.01396	1.8
173.06114	1.6
175.04013	3.0
175.07635	1.8
177.05545	1.2
179.03494	5.7
182.52377	0.8
187.04051	5.6
188.04782	3.1
191.05623	3.5
199.07623	1.0
201.05580	2.4
202.06281	2.3
203.03412	1.0
203.07156	11.4
205.04990	6.4
221.08200	2.8
223.06073	1.1
225.07779	1.1
227.07135	2.8
231.03021	1.1
245.08165	16.5
246.08481	0.9
247.06038	1.2
259.06073	3.0
267.07114	1.5
271.06232	1.1
287.05600	2.9
289.07193	100.0
290.07526	8.3
300.99789	1.2
327.08624	1.3
370.48569	1.2
400.37048	1.0
544.17224	0.9
675.19385	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	675.36
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39470	0.4
55.01869	1.2
57.03437	1.7
58.00591	2.6
58.95885	0.4
59.01382	47.4
60.01712	1.0
61.98834	0.6
68.99811	0.7
69.03465	2.1
71.01384	42.5
72.99307	3.0
73.02951	7.5
75.00864	0.8
81.03463	1.7
83.01401	4.5
83.05057	0.8
83.07666	0.4
85.02953	8.7
87.00884	10.0
87.04493	0.7
89.02449	37.6
91.04000	0.7
93.03429	0.8
95.01411	3.2
97.02961	7.4
97.06558	0.5
99.00890	2.5
101.02446	33.8
103.00423	0.4
103.04028	0.6
109.02949	1.1
111.00848	0.5
111.04500	1.2
113.02457	17.7
114.02859	0.4
115.04066	0.7
119.03509	12.8
121.02964	1.1
123.00912	0.6
123.04570	0.4
124.01703	0.7
125.02454	14.6
125.09747	0.8
127.04078	0.5
131.03537	2.4
133.05128	0.7
139.04004	1.5
141.01855	0.6
143.03506	6.4
149.04544	0.6
152.25031	0.4
155.03464	0.4
161.04573	8.8
167.03401	0.5
179.05635	6.9
185.04543	0.7
187.09735	0.9
196.20386	0.4
199.06187	0.8
217.07146	0.9
219.04964	0.5
220.14426	0.6
221.06618	3.5
235.08237	16.3
236.08745	0.6
245.06631	1.0
253.09323	3.9
259.20651	0.6
263.07736	1.8
277.21732	100.0
277.87039	0.4
278.22061	9.4
287.07755	3.5
305.08725	3.6
311.12805	0.6
323.09906	1.4
327.12250	1.1
332.72189	0.5
337.28979	0.5
361.11484	0.7
379.12433	1.7
397.13519	77.5
398.13876	6.8
415.14569	34.4
416.14908	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	675.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.8
56.85397	0.5
57.03435	1.8
58.00597	3.2
59.01381	53.2
60.01692	0.8
61.98811	1.0
68.99807	0.6
69.03466	3.0
69.09818	0.4
70.74028	0.5
71.01385	43.8
72.99313	4.0
73.02946	8.8
75.00867	1.2
76.93736	0.4
78.95900	0.8
81.03445	2.0
83.01398	5.3
83.05029	0.8
85.02953	10.8
87.00883	11.2
89.02449	42.1
90.02758	0.6
91.04005	0.8
93.03479	0.7
95.01379	3.1
96.95985	0.6
97.02953	8.1
98.15858	0.5
98.22515	1.4
99.00900	2.7
99.04548	0.7
101.02448	37.8
102.02788	0.5
109.02949	0.8
111.00906	1.3
111.04507	1.3
113.02462	17.0
113.57392	0.4
114.02753	0.4
115.04015	0.9
119.03516	14.7
121.02972	0.9
123.00875	0.7
124.01678	0.8
125.02457	15.0
131.03485	2.0
133.05089	1.0
135.04549	0.7
137.02475	0.4
139.04008	0.9
141.01982	1.0
143.03510	7.4
149.04564	1.4
151.03966	0.5
152.99591	0.7
161.02499	0.6
161.04570	9.3
167.03455	1.2
169.05060	0.7
171.03059	0.5
179.05611	8.9
185.04581	0.9
185.19482	0.4
199.06104	0.8
203.05664	0.8
217.07237	1.0
221.06697	2.4
235.08223	16.7
236.08554	1.1
245.06667	1.0
253.09264	5.0
263.07733	2.0
277.09271	1.4
277.21729	100.0
278.22025	8.4
287.07843	3.6
305.08817	4.9
323.09827	1.9
361.11414	0.7
379.12296	1.4
397.13522	84.4
398.13791	6.5
415.14587	38.8
415.22870	0.6
416.14981	2.6
464.41153	0.5
598.59607	0.5
675.35229	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3902
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	5.7
61.98825	0.5
67.72439	0.5
93.03480	0.4
98.22603	0.7
100.12511	0.3
117.03469	36.6
118.03832	1.0
119.05046	2.4
121.02965	4.9
123.04525	1.9
132.05840	0.3
133.02957	1.2
134.03729	2.5
144.02164	0.3
145.02959	93.1
146.03310	4.3
161.02409	0.5
162.03242	2.6
163.04004	1.5
175.04016	1.9
239.03140	0.4
298.04391	0.3
317.73953	0.4
421.31125	0.4
422.03302	0.3
423.33093	0.4
439.32263	1.1
453.33737	12.9
454.34146	1.6
455.31802	0.5
469.33298	1.9
503.68475	0.4
569.36548	0.4
571.38239	0.4
615.36896	19.4
616.37164	3.7
633.38464	0.5
675.39056	100.0
676.39325	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	675.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92290	0.4
55.54144	0.3
57.00922	0.4
58.34876	0.3
59.01090	0.8
59.01382	11.7
61.98820	1.1
67.72452	0.5
78.95908	0.4
82.54636	0.4
90.59391	0.4
93.03455	0.8
95.05014	0.5
98.21815	0.8
102.21377	0.4
117.03478	61.2
118.03754	2.5
119.05027	2.2
121.02974	23.1
122.03336	0.6
123.04539	8.8
133.02980	6.5
134.03748	2.6
145.02975	82.1
146.03313	3.4
149.02452	1.1
161.02469	6.6
162.03259	10.5
163.03983	1.5
173.02434	0.6
179.66690	0.4
205.03505	0.4
216.50296	0.4
298.61224	0.4
407.39716	0.4
417.38672	0.4
571.38159	1.9
572.37689	0.6
615.37213	1.7
616.37286	0.7
631.39948	4.4
632.40155	0.7
675.39032	100.0
676.39368	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	675.3903
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42202	0.5
59.01384	4.7
61.98832	0.9
71.30112	0.5
72.69997	0.5
78.95911	0.5
83.09052	0.5
84.97203	0.5
93.09576	0.5
101.95723	0.5
117.03521	2.7
118.03866	0.7
119.05044	0.8
121.02985	1.9
132.02200	1.7
133.02979	33.2
134.03812	7.5
135.04561	1.5
137.02457	6.9
139.04030	1.8
145.02965	5.5
146.03265	0.6
150.03229	0.6
156.94717	0.5
161.02467	88.9
162.02818	4.0
163.00420	1.5
163.04108	0.6
178.02737	4.8
190.92305	0.6
329.69839	0.6
344.03464	0.6
447.30917	0.7
453.34042	0.9
571.37555	0.7
589.39069	1.4
615.36426	1.0
631.40076	14.5
632.41046	3.1
633.38562	1.2
634.38605	0.8
675.39038	100.0
676.39392	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	675.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	3.7
59.01380	7.4
66.39993	2.0
69.17481	9.5
69.17896	4.7
71.01395	12.5
72.99295	4.1
75.00885	13.3
76.16190	2.1
81.81548	2.1
82.58678	2.4
85.02961	10.9
87.00868	4.7
96.79921	2.0
97.06641	9.0
97.62457	2.2
98.22611	3.9
99.00912	8.8
110.16161	2.4
113.02478	13.0
123.08197	4.3
125.09732	75.0
126.10085	3.0
133.02940	3.1
135.04584	5.0
161.02531	5.8
175.02513	3.5
179.03557	3.4
187.09781	40.2
187.11371	3.1
249.06593	2.4
255.23288	20.3
282.18521	2.3
304.40469	2.2
375.16946	3.4
437.16672	3.4
470.43192	2.7
617.38617	12.8
639.35968	4.7
639.45227	17.7
675.39886	100.0
676.40265	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	676.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11621	0.4
54.67907	0.3
55.63728	0.3
57.03456	0.9
59.01388	2.0
61.98829	2.7
62.99885	0.3
69.03439	0.4
71.01377	0.8
76.91833	0.4
77.61919	0.4
84.00873	0.4
89.02443	0.7
101.02446	1.3
101.26288	0.3
109.06582	0.6
113.02409	0.4
119.03471	0.7
125.02441	0.8
137.09676	0.4
148.01601	0.4
169.01419	0.7
209.08098	0.4
231.46135	0.4
273.37555	0.4
278.95490	0.4
289.21719	0.6
337.25601	0.8
339.27081	0.5
350.09879	0.4
357.28009	5.3
358.28506	0.5
381.48923	0.4
397.31030	0.9
425.30508	0.4
427.32330	1.7
467.32343	0.5
471.31180	100.0
472.31516	17.9
485.32513	2.1
513.32153	1.4
524.14691	0.8
676.36884	1.4
677.37482	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59028	1.3
57.03451	11.6
59.01406	1.9
61.98837	7.1
62.87631	1.2
65.00307	1.6
71.01382	1.9
71.28170	1.6
74.80238	1.3
79.74570	1.2
81.03464	4.7
83.01385	8.3
93.03461	4.4
95.01378	1.5
95.05051	2.3
97.02937	7.2
107.01384	1.8
109.02970	21.8
111.00902	3.7
113.09734	5.2
117.03473	1.3
121.02931	2.7
123.00908	2.2
123.04531	14.4
124.01665	2.5
125.02457	93.6
126.02816	2.3
127.87358	1.3
133.02953	2.3
135.04543	4.2
137.02454	46.8
138.01897	1.4
139.04031	3.2
143.04990	1.3
145.02946	19.4
146.03741	3.0
149.02441	9.7
151.03996	11.6
159.04509	17.3
160.05267	1.3
161.02464	3.8
161.06081	13.8
162.03207	2.0
163.03975	2.1
164.01131	4.2
165.01930	5.7
166.02686	1.3
167.03525	2.2
169.01439	25.8
171.50244	1.3
174.03127	1.4
175.04008	4.0
175.07803	2.2
179.03485	8.3
179.07138	5.1
181.08719	30.2
181.74512	1.4
182.08990	1.5
183.04486	2.4
185.06033	7.6
187.04102	6.5
188.04745	3.3
191.07051	2.5
195.06696	2.1
196.05325	1.6
201.05553	6.5
202.06384	3.7
203.07155	17.3
205.05008	9.1
209.06042	3.4
209.08022	1.4
211.04048	2.0
221.08176	3.4
222.08934	1.5
224.04646	1.7
225.05577	2.3
227.03502	1.5
227.07207	8.3
229.05106	3.7
245.08189	19.3
247.06068	1.8
253.05072	14.6
256.03799	2.4
271.06143	54.0
272.06506	4.2
289.07193	100.0
290.07700	6.5
303.05075	2.2
325.10840	11.1
343.11917	15.6
344.12201	1.7
344.32513	1.5
347.24460	2.0
373.17078	1.8
441.08322	17.5
442.08978	2.0
453.09674	1.8
495.13455	1.5
507.20319	27.8
508.20758	6.3
525.21307	80.3
526.21729	10.4
677.22589	22.7
677.34625	4.0
677.48151	3.7
678.22876	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	677.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	5.8
59.01376	35.2
61.98821	5.8
66.21924	4.8
70.06710	7.2
70.07038	10.7
71.01368	6.9
93.03372	5.1
96.95996	12.3
98.22496	6.4
101.02444	7.3
109.02914	6.0
118.82022	5.1
123.00905	5.9
123.04565	13.4
125.02445	74.6
128.89162	4.7
130.72418	4.6
137.02451	12.4
151.03987	15.4
161.02481	11.6
163.04048	5.2
167.03490	10.2
169.01462	27.0
170.01814	6.0
171.92487	5.6
177.01863	10.1
179.03377	5.9
214.64156	5.2
227.24644	5.0
243.02881	5.2
289.07144	37.8
300.99854	10.8
305.06769	6.0
387.16641	100.0
398.72421	5.2
677.18811	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	677.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.3
59.01371	4.9
61.98820	3.4
66.15949	1.1
69.12212	3.9
69.12634	5.6
70.55291	1.0
71.01375	2.2
81.03432	2.9
83.01372	3.5
93.03456	1.3
93.95468	1.1
95.05020	4.5
97.02962	6.5
104.38374	1.2
108.02274	1.3
109.02964	23.9
111.04601	1.2
120.99624	3.1
121.02921	3.2
122.03767	1.7
123.04526	19.7
125.02458	17.2
126.02715	1.3
135.04529	3.3
137.02449	11.5
139.04008	3.7
149.02443	6.5
150.03209	1.8
151.03017	1.4
151.04047	11.2
159.04512	2.8
160.05203	1.5
161.02408	2.2
161.06090	5.7
162.03239	1.6
163.03983	1.4
164.01131	4.1
165.01932	4.9
167.03474	1.9
173.06033	1.2
175.03964	1.6
175.07579	1.4
179.03511	6.3
181.04987	1.4
182.00456	1.3
185.06111	1.6
187.04001	4.5
188.04758	4.1
197.02795	2.4
202.06386	2.7
203.07144	13.8
205.05000	8.6
221.08134	1.4
227.07164	2.4
245.08191	17.5
247.05981	1.7
261.07620	1.4
289.07193	100.0
290.07590	8.1
312.02371	1.1
387.16541	7.5
388.16760	1.6
389.03842	1.2
399.84778	1.1
427.97763	1.3
479.13669	1.5
598.68207	1.3
677.20837	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
65.63449	0.8
96.24092	0.8
109.02970	1.0
113.09737	7.7
123.81442	0.9
181.07109	1.8
181.08711	31.1
182.09013	1.1
184.07716	0.8
193.08733	2.2
219.47247	0.7
285.07690	9.3
311.05618	2.5
312.12363	0.8
314.15179	0.8
343.15414	1.9
351.12476	2.0
354.11172	1.9
355.12006	2.0
357.17056	7.4
369.13434	100.0
370.13718	9.8
423.18097	5.8
427.21255	12.9
428.22021	1.3
437.19629	1.6
441.22818	93.5
442.23203	12.8
495.27545	12.1
496.27982	1.1
677.36926	40.2
678.37408	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	677.3695
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67722	0.6
69.04160	5.1
72.57393	0.6
92.55571	0.8
109.02928	1.4
111.04559	0.7
113.09008	1.0
113.09731	9.2
115.06250	0.7
147.08154	1.4
166.06274	0.9
172.16322	0.8
179.07089	1.0
181.08720	36.1
182.08994	1.3
190.56413	0.7
193.08754	4.3
285.07700	11.8
286.07944	1.0
311.05585	1.6
325.14484	1.1
339.12466	1.1
343.15460	1.2
351.12454	1.4
354.11038	1.9
355.11859	12.5
356.12198	1.6
357.17044	9.5
358.17322	0.7
369.13434	100.0
370.13715	8.9
423.18018	9.7
427.21234	27.8
428.21463	3.5
437.19696	2.4
441.22821	92.7
442.23187	13.2
495.27563	13.2
496.28186	1.3
658.28369	0.7
677.36975	63.9
678.37238	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	677.3698
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64346	0.8
55.34253	0.8
55.81784	0.8
60.50052	0.8
61.98832	4.5
71.28141	1.1
87.04535	2.2
96.95998	1.3
123.04586	1.2
132.02187	12.8
133.02995	6.6
134.03763	8.2
136.01662	4.6
139.04010	0.9
145.02945	1.3
148.47964	0.9
149.06114	4.0
151.04028	7.9
160.01674	71.3
161.02222	4.0
175.04018	95.9
176.04373	3.8
177.01927	1.2
181.08751	2.8
193.05072	7.7
211.13400	4.0
225.07600	0.9
246.07021	0.8
262.85641	0.9
262.88638	0.9
281.03806	0.9
340.65076	0.9
404.03882	1.0
419.29605	1.7
421.31421	1.2
483.31122	1.7
613.34772	1.4
615.36798	4.8
623.05933	1.0
633.37646	1.4
677.36993	100.0
678.37433	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	677.3698
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.7
61.98835	4.1
79.22394	1.3
93.80257	1.3
96.96008	7.5
116.92814	1.4
117.03455	4.0
121.02955	2.5
121.79150	1.3
132.02196	9.1
133.02986	6.9
134.03752	42.3
135.04514	4.7
149.06105	4.3
160.01680	46.3
161.02478	7.0
175.04013	58.2
175.05530	2.9
176.04456	2.7
179.03505	3.1
193.05063	42.1
194.05382	1.9
206.99390	2.3
222.87245	1.5
226.86632	1.4
229.37241	1.6
299.47906	1.3
379.26974	1.7
437.30704	16.2
438.30875	3.3
483.37741	1.6
538.73877	1.5
631.36383	8.4
633.37958	17.9
634.38434	2.9
677.36987	100.0
678.37274	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3702
Annotation	Myrtucommulone G
Peak:m/z	Relative Intensity
56.11721	1.9
59.01390	2.3
61.98829	9.3
66.26389	2.0
69.92335	6.6
78.95917	1.9
80.72055	1.6
84.90516	1.5
98.22520	2.1
117.03409	1.9
121.24509	1.8
132.02180	15.3
133.02991	6.9
134.03740	10.3
145.02977	5.4
147.04524	1.7
160.01674	71.3
161.02370	6.3
168.25908	2.3
175.04013	82.7
176.04324	3.5
193.05089	9.6
206.99466	1.9
287.74020	1.7
316.76144	1.7
332.70892	1.7
488.57004	1.8
550.34705	2.1
677.37000	100.0
678.37250	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	677.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.7
57.03448	1.4
58.00605	2.5
59.01385	43.6
61.98837	2.9
68.99806	0.7
69.03467	2.8
71.01388	39.8
71.28438	0.7
71.57815	0.5
72.99324	3.8
73.02950	7.3
75.00873	0.9
81.03470	1.3
83.01391	4.1
85.02962	7.7
86.00131	0.9
87.00885	11.1
89.02454	34.9
90.02834	0.7
91.04010	0.5
93.03485	0.6
95.01400	2.5
96.95981	0.7
97.02963	6.3
99.00890	2.6
101.02451	31.4
103.04012	0.7
109.02968	0.8
110.39298	0.5
111.04556	1.3
113.02467	15.5
115.04032	1.3
116.78738	0.6
119.03511	10.7
121.02995	0.7
125.02458	13.8
127.04018	0.6
131.03542	1.2
133.05057	1.1
134.03720	0.4
135.04512	0.5
137.02477	0.6
139.04008	0.9
141.01962	0.5
143.03508	5.7
149.04575	1.3
161.02481	1.2
161.04582	7.5
163.00391	0.7
163.04068	0.7
167.03510	0.9
179.05649	7.0
185.04552	0.7
206.99304	0.8
217.07150	1.5
219.05122	0.7
221.06650	2.7
227.55704	0.6
235.08246	12.3
236.08582	0.9
245.06758	0.7
253.09337	3.1
263.07727	1.8
277.09229	0.6
279.23318	100.0
280.23694	7.8
287.07776	2.7
305.08795	3.6
323.09937	1.4
361.11438	0.5
379.12546	1.6
397.13519	64.7
398.13934	4.4
415.14612	28.9
415.20242	1.2
416.15027	2.2
529.35284	1.1
669.37878	0.5
677.36719	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	677.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.2
57.03429	1.4
58.00581	1.3
58.73096	0.6
59.01385	39.3
61.98846	1.1
68.99805	0.9
69.03449	2.5
71.01389	32.8
72.99313	2.8
73.02638	0.6
73.02958	6.1
75.00905	0.8
78.62984	0.6
81.03449	1.9
82.88476	0.6
83.01404	4.0
85.02954	6.8
87.00882	8.7
87.04512	0.6
89.02454	31.6
91.04022	0.8
95.01405	2.1
96.49952	0.7
97.02958	5.3
99.00885	2.2
101.02454	27.8
111.00861	0.8
111.04520	0.9
113.02460	14.3
117.03413	0.6
119.03503	9.2
123.04521	0.8
125.02459	11.3
131.03523	1.7
133.02972	1.1
133.05061	1.4
135.04535	0.9
137.02481	0.8
137.39720	0.6
139.04065	1.1
143.03499	5.7
145.02959	1.2
160.01689	1.5
161.02515	3.1
161.04576	6.2
167.03484	0.9
175.04048	2.0
177.01949	1.0
179.05656	7.1
185.04521	0.6
199.06099	1.1
217.07278	1.6
221.06615	3.3
223.11374	0.6
235.08247	13.3
245.06721	0.9
253.09221	3.1
259.72931	0.6
263.07736	1.3
279.23309	100.0
280.23682	8.8
287.07584	2.8
288.40350	0.6
293.24872	0.9
305.08936	3.7
323.09888	1.8
375.80096	0.6
379.12646	1.3
397.13528	73.3
398.13922	5.0
415.14600	31.1
416.15146	2.4
633.37122	0.9
677.36853	8.5
678.36798	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90755	2.8
59.01374	15.2
61.98830	3.5
63.12753	2.5
63.77198	2.7
71.01379	17.7
78.95885	14.8
89.02452	21.6
101.02454	6.2
104.83846	2.7
113.02436	5.0
119.03491	3.8
152.99565	7.2
167.60742	3.3
178.98381	2.8
179.05640	10.0
209.11832	12.2
228.83890	3.0
281.25079	4.3
335.01208	3.1
343.40656	2.8
380.13589	3.1
395.14590	4.4
497.28986	4.7
497.36343	100.0
498.36551	19.5
518.00580	3.2
645.38086	4.5
677.39044	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	677.495
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02979	0.3
62.45486	0.2
66.34489	0.2
69.31841	0.5
69.32251	0.7
80.05075	0.3
81.03463	6.9
82.03802	0.2
83.05033	17.0
84.05363	0.6
98.22593	0.2
100.07693	0.4
107.06149	0.5
108.04571	0.6
125.02452	0.2
125.07207	1.3
126.05627	0.6
131.93057	0.2
143.08255	0.4
169.01471	0.3
207.15068	1.4
224.17651	2.9
225.07681	0.3
225.16087	11.4
226.16391	0.7
242.18703	0.8
250.15656	0.3
268.16772	0.3
290.22305	0.2
309.21854	0.6
324.26611	0.6
333.22937	0.8
337.83255	0.2
339.27808	0.3
341.29260	1.4
351.24191	0.3
367.27264	1.2
383.30566	0.2
407.33875	0.3
433.31775	1.3
450.34583	1.5
451.32947	5.7
452.33392	0.7
457.04169	0.2
550.43213	0.7
565.44293	0.3
593.43927	0.5
659.48615	1.3
677.49701	100.0
678.50018	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	677.495
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02979	0.3
62.45486	0.2
66.34489	0.2
69.31841	0.5
69.32251	0.7
80.05075	0.3
81.03463	6.9
82.03802	0.2
83.05033	17.0
84.05363	0.6
98.22593	0.2
100.07693	0.4
107.06149	0.5
108.04571	0.6
125.02452	0.2
125.07207	1.3
126.05627	0.6
131.93057	0.2
143.08255	0.4
169.01471	0.3
207.15068	1.4
224.17651	2.9
225.07681	0.3
225.16087	11.4
226.16391	0.7
242.18703	0.8
250.15656	0.3
268.16772	0.3
290.22305	0.2
309.21854	0.6
324.26611	0.6
333.22937	0.8
337.83255	0.2
339.27808	0.3
341.29260	1.4
351.24191	0.3
367.27264	1.2
383.30566	0.2
407.33875	0.3
433.31775	1.3
450.34583	1.5
451.32947	5.7
452.33392	0.7
457.04169	0.2
550.43213	0.7
565.44293	0.3
593.43927	0.5
659.48615	1.3
677.49701	100.0
678.50018	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	678.3651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43081	0.7
61.98834	100.0
66.91661	0.6
70.70216	0.6
71.28146	0.8
71.28537	0.9
78.32021	0.7
92.02260	0.7
96.79628	0.6
155.17398	0.6
161.02460	1.0
175.69438	0.7
193.08591	0.9
255.23149	0.6
264.61203	0.6
470.09155	0.7
615.36139	1.0
678.36682	2.5
679.45337	1.3
696.12225	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.3863
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	1.0
61.98840	0.9
69.57666	1.9
73.02951	5.6
75.45782	0.5
79.29863	0.6
101.02456	1.2
113.02431	0.6
113.06164	0.5
125.02416	0.9
169.01353	0.7
352.11575	0.8
361.67664	0.6
429.33322	0.8
473.32730	100.0
474.33075	19.4
487.34259	2.4
515.34033	5.1
516.34302	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.9
59.01386	1.9
59.83448	0.3
61.98829	0.4
67.01887	0.3
69.03448	0.4
69.39227	0.3
71.01361	0.5
73.02930	0.3
84.00920	0.5
89.02471	0.5
96.95992	0.3
98.22609	0.6
101.02451	1.2
109.02979	0.3
111.00896	2.6
113.02470	0.6
119.03484	0.7
125.02447	1.0
146.55200	0.3
161.04517	0.5
169.01389	0.8
170.01869	0.3
204.05075	0.6
355.24799	0.3
369.28171	0.4
373.25885	0.3
429.33749	1.3
471.31152	1.3
473.32751	100.0
474.33084	18.7
487.34586	0.7
515.33899	0.8
538.65625	0.4
629.52332	0.3
635.37213	0.6
678.16632	1.1
678.38959	1.5
679.38196	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.3863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70846	0.3
52.66815	0.3
55.74843	0.4
57.03436	0.7
59.01381	2.2
66.82050	0.4
67.45871	0.4
71.01382	0.6
89.02456	0.5
90.96879	0.3
101.02452	1.0
105.28083	0.4
113.02408	0.4
119.03536	0.8
165.06499	0.4
173.35304	0.3
277.20331	0.4
397.31036	0.5
399.32651	2.8
473.32745	100.0
474.33090	18.4
487.34283	1.2
515.33862	1.1
678.38843	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	678.386
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.0
61.76439	0.5
65.45168	0.5
69.03456	0.6
69.05107	5.1
71.01382	1.1
75.07585	0.5
84.00945	0.8
96.96028	0.8
101.02456	1.3
122.08070	0.7
122.13361	0.6
122.22357	0.5
125.02462	0.9
136.44864	0.5
166.74425	0.6
169.01468	1.5
171.07254	0.6
184.10535	0.6
261.76868	0.6
355.24820	0.6
360.11496	0.6
360.61761	0.7
361.12012	3.3
375.47635	0.6
386.52582	0.6
452.55194	0.6
473.32715	100.0
474.33047	16.7
475.34293	0.8
515.33612	0.6
517.31122	0.8
521.54297	0.6
605.24628	0.6
635.37567	0.9
678.37915	2.6
679.38214	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82867	1.3
56.30084	1.2
57.03440	3.9
69.03432	1.4
69.14321	8.7
70.14799	1.4
78.82899	1.3
81.03437	2.7
83.01380	3.0
95.05025	2.9
97.02938	7.7
109.02944	28.5
110.89739	1.4
121.02950	2.7
123.04539	18.8
125.02456	22.2
135.04543	2.7
137.02452	10.6
139.03986	4.2
145.02957	1.8
149.02419	5.8
151.04004	8.2
159.04555	2.7
160.05362	1.4
161.06062	5.0
162.03239	2.5
164.01157	4.4
165.01881	4.0
167.03502	2.9
171.93570	1.4
174.03114	2.1
175.03967	1.6
175.07669	2.4
179.03441	6.2
187.04012	5.6
188.04761	5.4
202.06343	2.2
203.07126	14.1
204.07471	1.4
205.05113	8.1
221.08179	3.5
227.07114	1.9
245.08171	20.6
289.07181	100.0
290.07361	9.1
358.23068	1.3
393.43460	1.5
549.04340	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.6
68.96877	2.5
68.97298	1.8
70.49572	0.5
80.92823	0.5
81.03461	2.5
83.01353	0.9
85.06589	0.8
87.04513	0.7
95.05044	1.5
97.02937	0.6
98.22641	0.8
104.03273	0.4
107.91888	0.5
109.02949	0.6
109.06592	3.4
111.04534	5.5
113.09735	2.7
123.08121	1.1
125.02460	4.4
125.06116	0.8
127.07661	0.5
133.06586	1.5
136.05215	0.4
139.04047	3.0
151.00351	0.5
151.07660	27.2
152.01141	0.5
152.07983	2.0
153.05621	0.6
165.01979	0.6
165.09215	12.4
166.02740	0.6
166.09496	0.9
167.31401	0.4
175.07611	1.2
177.01900	0.9
177.05531	0.9
179.07112	0.9
181.08728	12.2
182.09018	1.2
191.07153	1.3
195.06631	100.0
196.06975	6.0
204.04262	1.2
205.05051	6.7
205.12407	1.6
207.06593	0.5
208.07466	1.0
209.08197	43.4
210.08618	3.1
219.06621	12.1
221.08279	1.4
223.09813	0.6
233.04572	9.9
234.05173	1.8
247.06120	28.5
248.06618	1.9
249.11281	7.0
261.07773	0.5
269.99509	0.4
287.09314	1.1
369.13461	1.1
370.13971	1.4
371.13837	0.5
429.22360	2.2
431.20657	3.2
432.20978	0.6
437.82343	0.5
441.22794	0.8
442.23361	1.7
443.13501	63.1
443.23996	15.1
444.13834	8.5
444.24606	2.0
497.18106	3.3
497.29074	1.7
498.18530	0.7
528.41412	0.5
607.49695	0.6
625.38135	0.6
679.27429	8.8
679.38428	6.6
680.27820	1.7
680.38855	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.6
59.01370	1.7
60.99303	1.6
61.98832	4.1
71.01389	1.0
81.91715	0.6
88.98812	13.1
93.03446	0.7
95.05055	0.9
96.96044	1.4
98.21712	1.1
105.03471	1.4
109.02975	0.8
121.02980	2.9
123.04523	0.8
125.02476	1.1
132.02177	15.8
133.02972	8.3
134.03784	7.2
135.04483	0.9
136.01639	1.2
137.02454	1.3
144.85498	0.7
147.04561	2.8
149.02470	1.5
149.06056	1.9
150.03210	1.4
151.03961	1.8
160.01674	72.6
161.02048	4.2
163.04037	1.2
165.01982	1.4
175.04012	83.9
176.01204	0.8
176.04376	5.1
177.01958	2.2
181.08739	1.0
186.47346	0.6
191.03523	1.8
193.01465	2.1
193.05087	6.0
211.13419	4.6
212.13745	0.8
225.07521	0.8
278.21939	0.6
287.61008	0.6
313.23032	0.6
315.08621	0.7
316.87393	0.6
341.71967	0.7
620.37506	1.0
635.39508	4.3
640.92505	0.7
656.17596	0.7
664.36188	0.9
679.38538	100.0
680.38995	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	679.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.8
59.36942	0.7
61.98816	1.8
75.29146	0.6
86.43133	0.6
87.41422	0.6
88.98801	2.4
90.85939	0.7
105.03465	1.3
109.02956	1.0
113.06834	0.7
121.02966	1.2
123.04524	0.9
125.02441	0.7
132.02180	15.0
133.02977	5.6
134.03770	12.5
136.01672	14.6
137.02312	0.7
147.04541	1.0
149.02498	0.9
149.06116	7.8
151.04010	25.9
160.01674	72.2
161.02054	3.8
169.21277	0.7
175.04015	90.8
176.04378	5.1
177.01912	1.6
181.08594	0.9
192.04405	0.7
193.01405	1.8
193.05069	7.3
194.05428	0.7
197.12082	0.8
210.11418	0.6
211.06107	2.3
211.13419	0.9
219.26033	0.6
421.30933	5.2
422.31622	0.8
437.30569	1.4
485.32922	1.1
535.06995	0.9
615.37042	1.8
617.38422	21.8
618.38947	4.6
635.39575	1.2
661.37970	1.3
664.36322	1.4
679.38531	100.0
680.38782	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	679.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35674	0.8
61.98829	5.7
67.07990	0.8
69.14300	2.1
69.14709	3.4
78.10259	1.1
96.95996	1.1
98.22474	1.5
105.03473	1.4
106.81023	0.7
109.02959	21.8
110.03320	1.5
111.00900	1.0
119.15690	0.8
123.00888	1.4
123.04562	1.5
124.01675	1.2
128.86754	0.7
132.02185	14.7
133.02997	9.1
134.03755	6.6
135.04538	2.8
136.01694	2.0
137.02454	10.2
139.19948	0.8
148.06453	0.8
149.02426	1.1
149.06071	0.8
150.03204	0.8
151.00403	1.6
151.04027	2.8
153.01932	0.9
155.46455	0.9
160.01671	83.6
161.02361	6.4
163.00374	1.7
165.01996	2.2
175.04018	98.6
176.04347	4.4
177.01987	1.9
178.02748	1.2
178.99904	1.2
179.03551	2.5
181.84485	0.7
192.89497	0.9
193.01437	1.0
193.05075	4.0
206.99437	1.5
209.01089	1.3
257.40402	0.9
285.89481	0.8
416.02661	0.8
437.30908	2.6
467.32098	0.8
485.32767	2.7
605.33813	1.0
617.34827	8.4
618.35736	1.2
635.36121	1.5
661.33789	9.8
662.34418	2.8
679.38483	100.0
680.38800	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52214	1.0
57.03429	1.3
59.37333	1.1
60.46139	1.0
68.98576	8.4
72.41933	0.9
105.26953	0.9
109.06602	2.0
111.04533	3.7
113.09721	11.0
123.08209	1.2
125.06100	3.6
137.02470	1.3
151.07651	0.9
163.11353	0.9
165.01990	1.2
165.09239	1.7
166.02715	3.9
169.05229	1.0
177.09279	1.5
177.12883	6.4
179.10793	1.4
181.08725	83.9
182.09019	5.8
191.03358	1.7
193.08778	1.1
195.06657	3.3
203.07271	1.0
207.06607	3.2
208.07445	8.2
209.08192	7.3
219.06631	1.9
221.08209	5.8
221.11757	1.9
222.08887	1.2
223.09818	2.5
224.06859	1.5
233.08284	3.6
235.09843	1.9
247.09782	13.1
248.10222	2.2
249.11154	1.2
256.32660	0.9
261.07709	3.3
261.11285	1.1
275.09235	10.2
276.09647	1.3
301.14664	1.2
306.12051	1.0
315.12442	2.3
315.15872	1.1
329.13910	1.4
343.15326	1.2
345.17059	1.9
359.18808	3.8
373.20227	2.4
425.23593	1.4
429.22736	45.5
430.23178	5.8
443.24353	100.0
444.24716	17.6
497.28778	11.6
498.28906	1.9
563.54846	1.0
654.57550	1.1
679.38641	44.2
680.38885	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	679.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77804	1.0
57.03459	1.7
93.87399	1.1
98.21732	2.2
99.10365	1.1
109.06650	1.0
111.04546	2.1
113.09726	12.7
114.10041	1.7
125.06087	4.4
152.01131	1.5
165.09456	1.1
166.02750	3.0
181.08705	89.7
182.09016	4.7
207.06599	1.2
208.07344	2.6
209.08162	2.1
217.12312	1.3
217.16069	1.7
221.08191	1.8
222.08925	1.9
233.08218	4.5
236.44939	1.1
245.08253	1.8
247.09776	24.7
248.10049	2.5
261.07785	1.7
275.09302	15.6
288.54999	1.3
301.14404	3.2
304.24506	1.1
315.12451	1.4
329.13806	6.1
359.18658	8.9
363.20197	1.2
373.20218	3.3
429.22424	22.1
430.23236	3.9
432.51001	1.2
443.24164	91.6
444.24429	14.7
497.28818	18.8
498.29449	5.0
578.95172	1.1
679.38495	100.0
680.38873	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	679.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	2.0
71.17188	1.5
97.59420	0.7
111.04523	2.9
113.09732	14.8
121.65372	1.1
125.06098	2.5
138.92487	0.8
158.22868	0.8
162.77687	0.8
166.00342	0.8
166.02719	4.6
166.06360	2.0
179.10664	1.3
181.08713	100.0
182.09094	5.0
203.14337	1.0
205.04948	1.2
207.06699	2.1
208.07433	4.3
209.08211	3.4
219.06641	2.2
221.08192	2.4
222.08971	3.5
223.09721	1.5
233.08197	6.6
235.09785	0.9
247.09734	19.2
248.10146	1.6
261.07663	3.3
262.12204	1.6
275.09256	12.0
275.12451	1.6
276.09747	1.9
301.14417	2.7
315.12482	3.4
329.13922	4.2
345.17044	3.3
359.18549	10.1
359.22369	1.2
373.20316	2.4
425.23425	1.0
429.22766	59.1
430.23126	8.8
443.24103	68.3
444.24255	9.1
497.28873	20.7
498.28836	4.1
545.23328	0.9
553.06433	1.1
621.08569	0.9
679.38544	69.5
680.38928	19.4
708.04785	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.4069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20785	0.2
57.03446	0.7
57.73837	0.2
59.01385	12.8
61.98839	2.8
68.99815	0.2
69.03445	0.7
71.01370	1.2
72.99309	0.3
85.02942	0.3
89.02442	0.8
101.02448	1.3
108.02208	1.4
113.02464	0.8
119.03524	1.0
123.04576	0.6
125.02480	0.5
162.03186	0.3
169.01447	0.3
177.01952	0.4
190.39996	0.2
203.94562	0.3
206.56389	0.2
217.68852	0.2
219.06644	1.1
273.33725	0.3
284.06824	0.3
299.09268	1.8
300.09665	0.3
343.11914	0.8
413.34235	1.3
418.77505	0.3
453.34357	0.3
457.33279	100.0
458.33630	18.0
471.34695	0.8
474.32922	0.3
499.34430	0.6
520.38513	0.3
586.43237	0.3
619.38531	0.4
679.24414	0.3
679.35468	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	34.8
60.15594	32.9
61.98831	100.0
71.28748	38.8
84.91332	24.5
96.96024	29.9
109.02985	34.8
133.02982	59.6
135.04549	41.8
137.02475	33.6
160.01657	38.1
161.02472	63.4
175.03995	61.4
177.02055	27.3
208.30919	26.3
381.22598	33.4
595.55396	29.3
679.36780	93.2
680.36517	81.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60869	0.2
61.98836	100.0
75.62405	0.2
85.12289	0.2
120.74796	0.3
133.02989	0.6
135.38162	0.3
138.51120	0.3
161.02478	1.7
203.23787	0.3
221.01265	0.3
229.69264	0.4
249.18143	0.3
340.59818	0.3
573.39404	1.3
574.39856	0.4
617.38556	6.2
618.38788	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3804
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86831	0.3
55.01344	0.3
61.98835	100.0
70.61520	0.7
133.03029	0.6
138.15746	0.3
158.23628	0.3
160.27762	0.3
161.02510	1.5
401.98532	0.3
465.14725	0.3
473.45438	0.3
510.94620	0.3
617.38416	7.2
618.38586	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	680.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72686	0.3
59.01374	0.5
61.98835	100.0
62.05445	0.4
71.01397	0.4
103.96366	0.4
123.04536	0.4
133.03088	0.4
134.03766	0.4
135.04544	0.5
138.03015	0.3
139.07809	0.4
161.02498	0.9
195.39900	0.4
281.24963	0.9
282.25189	0.9
393.19656	0.4
397.13803	0.9
398.14661	0.4
415.14935	0.4
471.34903	0.5
499.92523	0.4
545.70337	0.4
602.39709	0.7
617.36066	0.5
620.70587	0.5
645.34546	0.5
680.37933	0.9
681.37567	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
59.30645	0.2
61.98834	100.0
64.15377	0.2
69.11019	1.4
79.61842	0.2
87.08433	0.2
88.46844	0.2
103.36887	0.2
106.49805	0.3
117.87897	0.3
133.02968	0.8
134.03787	0.6
135.04588	0.7
137.02464	0.5
161.02414	2.2
178.53934	0.2
179.03694	0.3
344.94977	0.3
379.34280	0.3
569.32605	0.3
573.39532	3.1
574.39954	0.6
617.38440	10.3
618.38995	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	680.3807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45987	0.1
55.64039	0.1
55.68514	0.2
61.98834	100.0
62.98559	0.3
69.09057	1.5
98.22509	0.4
104.46304	0.2
104.61188	0.2
133.02983	1.0
134.03784	0.7
135.04533	0.8
137.02510	0.3
139.04086	0.2
161.02458	2.4
169.16953	0.2
178.02675	0.2
179.03522	0.3
214.18950	0.2
222.58876	0.2
390.69458	0.2
573.39569	0.3
617.38495	9.5
618.38916	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	680.3812
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30028	1.6
59.48577	1.7
61.42256	1.8
61.98835	100.0
62.97250	2.0
76.31412	1.7
89.21004	1.8
96.96017	1.9
120.49980	2.1
174.73125	1.6
228.65050	2.7
617.37988	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	680.4012
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14859	1.1
50.88110	1.1
53.20056	1.0
57.03459	1.3
57.61704	1.1
59.01384	12.3
61.98826	4.0
70.46139	1.0
71.01035	1.6
71.01392	19.7
71.28642	1.4
73.02953	7.9
83.01412	2.9
85.02959	10.1
87.00874	3.1
89.02445	3.8
93.03494	1.2
95.01414	2.0
96.96043	2.1
97.02950	1.8
99.00893	4.0
101.02454	18.3
101.51539	1.3
107.01430	1.2
111.00901	4.3
113.02461	10.5
119.03497	1.9
119.05148	1.4
125.02455	8.1
126.02783	2.1
126.31649	1.1
137.02472	1.5
139.04012	1.4
140.75464	0.9
143.03461	2.2
149.02423	1.9
151.04057	1.1
159.02977	3.2
161.02530	1.6
161.04561	10.2
164.04802	1.6
166.14430	1.1
167.03525	1.2
169.01428	4.8
170.01791	2.5
171.01947	2.0
209.08215	1.9
248.02950	1.2
260.56323	1.3
280.85574	1.4
289.07043	2.0
301.00122	1.3
316.06558	1.2
371.24393	2.0
372.93790	1.2
459.31445	1.6
468.07037	1.4
470.08389	1.5
475.34695	7.5
489.32275	26.7
519.33112	1.6
637.39581	100.0
638.39917	22.1
648.16602	2.6
680.16870	4.2
680.39069	3.3
681.37598	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	680.4012
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14859	1.1
50.88110	1.1
53.20056	1.0
57.03459	1.3
57.61704	1.1
59.01384	12.3
61.98826	4.0
70.46139	1.0
71.01035	1.6
71.01392	19.7
71.28642	1.4
73.02953	7.9
83.01412	2.9
85.02959	10.1
87.00874	3.1
89.02445	3.8
93.03494	1.2
95.01414	2.0
96.96043	2.1
97.02950	1.8
99.00893	4.0
101.02454	18.3
101.51539	1.3
107.01430	1.2
111.00901	4.3
113.02461	10.5
119.03497	1.9
119.05148	1.4
125.02455	8.1
126.02783	2.1
126.31649	1.1
137.02472	1.5
139.04012	1.4
140.75464	0.9
143.03461	2.2
149.02423	1.9
151.04057	1.1
159.02977	3.2
161.02530	1.6
161.04561	10.2
164.04802	1.6
166.14430	1.1
167.03525	1.2
169.01428	4.8
170.01791	2.5
171.01947	2.0
209.08215	1.9
248.02950	1.2
260.56323	1.3
280.85574	1.4
289.07043	2.0
301.00122	1.3
316.06558	1.2
371.24393	2.0
372.93790	1.2
459.31445	1.6
468.07037	1.4
470.08389	1.5
475.34695	7.5
489.32275	26.7
519.33112	1.6
637.39581	100.0
638.39917	22.1
648.16602	2.6
680.16870	4.2
680.39069	3.3
681.37598	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	680.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	3.6
61.98833	21.9
63.75621	0.7
71.01379	2.9
71.28163	1.0
78.01675	0.8
84.70358	0.8
88.98830	1.0
89.02444	1.9
108.02163	1.5
113.02448	1.0
116.92861	1.4
117.03452	0.9
119.03489	1.2
119.04961	1.0
121.02966	1.5
125.02438	1.1
133.02969	1.9
135.85507	0.9
137.02472	2.1
139.03960	1.1
149.02432	0.9
149.05954	0.9
161.02458	1.0
169.01416	1.0
173.59119	0.8
177.01915	1.3
179.03467	2.2
179.05621	1.7
199.13530	0.9
203.73062	0.9
209.11908	2.1
238.42061	0.8
303.30667	1.0
429.29010	1.2
459.30911	1.3
474.32852	1.4
475.34320	100.0
476.34610	14.5
637.39496	2.4
680.40594	14.9
681.38776	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	681.05
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	0.5
62.50458	0.5
69.03260	4.9
74.35326	0.5
74.82845	0.5
74.93288	0.5
80.34918	0.5
89.00838	0.5
108.81094	0.5
110.20867	0.5
124.59760	0.6
146.11172	0.6
173.35652	0.6
178.42001	0.6
215.00041	0.5
242.99333	2.0
270.98859	41.0
271.99130	2.5
285.00415	1.4
286.01108	0.7
290.07996	0.6
298.98343	56.6
299.98712	4.6
301.12839	0.5
312.99997	3.7
314.00696	72.9
315.01074	6.3
328.02423	1.8
329.03046	100.0
330.03394	7.8
357.26450	0.8
538.04486	0.7
681.04980	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	681.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65676	0.7
69.10900	0.6
69.15441	0.6
69.15825	0.6
78.25072	0.7
81.03458	1.4
83.01377	1.8
90.33128	0.6
95.05025	1.5
107.05058	2.1
109.02985	1.8
109.06583	0.8
109.63033	0.6
111.04524	1.6
112.15740	0.6
123.04536	3.2
125.02482	1.6
125.06095	6.4
137.02464	15.5
138.02815	0.7
139.04007	1.7
151.04024	14.7
151.07661	3.4
163.00368	2.7
165.09227	13.5
166.09538	1.0
177.01913	3.6
177.09158	0.7
179.07176	1.0
179.10803	5.6
181.08713	5.4
189.05536	1.4
191.07140	1.2
193.08701	1.6
195.06647	8.1
203.07220	3.6
207.06647	20.8
207.10219	1.4
208.07089	1.8
209.08206	34.4
210.08540	2.1
217.08684	1.8
219.13951	0.9
221.08209	100.0
222.08540	5.8
223.09785	18.5
235.09770	73.0
236.10066	4.3
263.12900	2.8
275.12918	3.6
277.14441	0.9
289.14462	0.7
318.32092	0.7
431.11130	0.7
431.17123	28.9
432.17496	4.1
445.18408	33.0
446.18796	5.7
459.24161	1.9
499.23370	3.8
500.23431	0.8
596.51929	0.7
681.32666	13.4
682.33112	2.8
705.74445	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3496
Annotation	Lehualide K
Peak:m/z	Relative Intensity
57.03448	1.2
58.00590	1.9
59.01383	34.5
61.98819	1.1
62.69008	0.6
67.71318	0.6
69.51538	3.4
71.01387	19.9
72.99312	1.7
73.02944	2.5
83.01398	1.6
85.02964	4.1
87.00888	1.2
89.02457	16.0
95.01389	1.7
96.96053	0.7
98.21854	0.8
99.00870	0.7
101.02463	11.0
108.02199	0.9
111.00854	1.4
113.02462	5.5
115.83643	0.7
116.93137	0.7
119.03506	4.6
125.02491	1.7
137.02473	1.4
149.84125	0.7
169.01457	0.8
179.03432	0.7
215.81091	0.7
269.04752	1.4
287.09296	0.8
295.11108	0.8
297.04138	2.2
298.04755	1.0
312.06580	1.0
313.07175	3.7
459.12689	3.1
473.29214	3.8
474.29596	0.9
475.12482	3.7
475.30713	2.9
476.12613	1.0
519.29919	2.9
643.51410	0.7
681.35004	100.0
682.26282	1.0
682.35352	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	681.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99678	2.2
61.98842	10.5
70.33313	5.5
78.91893	11.2
80.68128	1.8
81.03465	3.2
113.09756	3.4
125.02468	4.8
125.06110	5.0
151.07629	9.3
165.09221	25.8
181.08727	18.8
195.06625	25.3
209.08191	100.0
210.08572	7.0
222.12654	1.9
249.11221	3.9
263.12918	25.9
317.17487	2.2
431.20737	5.7
445.22299	34.7
446.23187	5.5
450.36087	2.1
681.37708	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	681.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87302	1.0
61.98835	12.3
64.77669	0.9
68.06480	1.0
81.03457	4.7
81.47620	1.3
91.77134	1.0
98.22524	2.9
113.09750	2.5
115.71839	1.1
123.08170	2.9
125.02448	4.5
125.06086	3.6
151.07668	6.4
165.09221	21.5
179.07188	1.5
181.08713	15.0
191.07162	1.0
195.06619	22.7
196.06932	1.4
209.08205	100.0
210.08621	6.0
212.06163	1.1
219.13820	1.3
235.19395	1.1
241.93231	1.0
249.11385	3.7
263.12875	22.7
264.13260	2.2
275.32684	1.0
283.62494	1.0
332.02942	1.1
373.77704	1.2
431.20691	7.2
445.22284	60.5
446.22388	8.9
499.27142	2.3
656.77948	1.3
681.36536	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	681.365
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	4.2
69.78242	1.9
69.78626	2.1
79.92802	0.8
83.28493	0.9
87.04520	1.4
96.96032	0.8
98.21855	1.4
102.94228	0.9
105.03444	0.8
107.04304	0.7
109.02937	2.5
119.05039	1.1
121.02972	3.0
123.04546	1.6
133.02063	1.2
133.02983	13.7
134.03787	10.2
135.04567	10.6
136.01686	1.4
137.02455	11.2
139.04047	4.2
149.02446	1.0
150.03197	1.2
151.04018	2.1
161.02464	38.7
161.06073	1.4
162.02815	2.2
165.01965	0.9
176.08594	0.8
178.02745	7.1
179.03519	8.0
191.14424	6.2
193.15973	9.1
203.14514	1.2
205.15981	3.7
221.15375	1.8
249.15044	1.2
258.16257	1.6
267.16003	10.3
268.16269	1.2
287.12985	3.0
301.14426	9.0
302.15216	1.4
315.15964	8.6
335.57031	0.8
355.19040	1.9
369.20715	37.0
370.21030	6.4
399.18182	3.6
413.19675	66.8
414.20181	10.4
415.21240	7.4
601.35187	2.0
602.36261	0.9
619.36108	1.5
645.34662	4.4
646.34918	1.8
663.35699	3.2
681.36450	100.0
682.36707	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	681.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54977	2.7
59.01376	3.4
61.98557	3.8
61.98831	44.6
68.08455	3.1
71.08318	5.1
73.85650	2.8
77.81145	3.2
96.96034	6.0
109.02965	8.3
116.92860	3.4
118.75328	2.9
121.02975	4.0
123.04526	15.4
133.02942	15.2
134.03712	11.9
135.04544	13.1
137.02444	21.5
139.04025	6.7
149.02431	9.1
161.02454	50.7
162.02968	3.4
165.01930	4.7
167.03476	4.5
177.02026	2.8
178.02774	8.7
179.03511	9.6
191.14438	5.9
193.15967	9.7
205.16064	6.1
221.15428	4.6
267.16049	11.4
291.20871	2.8
301.14499	8.3
315.16171	6.4
355.19260	3.2
369.20749	37.8
370.21274	7.6
413.19720	36.2
414.19980	4.4
415.21509	4.0
432.44214	2.8
432.50525	3.4
469.32751	4.3
619.36163	8.5
645.34314	4.7
663.35394	8.6
681.24799	6.0
681.36450	100.0
682.36688	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02431	0.5
58.37975	0.5
59.01389	1.0
61.98832	2.3
71.28487	0.9
73.02946	2.3
75.45027	0.6
81.09171	0.5
105.03500	2.6
109.03028	0.7
117.89922	0.6
121.02952	2.2
123.04540	1.4
125.06099	1.0
132.02196	7.0
132.67926	0.6
133.02994	16.0
134.03775	8.2
135.04558	1.0
136.01686	7.0
137.02464	1.6
139.03993	0.8
147.04610	0.8
149.02504	1.5
149.06088	3.4
150.29498	0.7
151.04031	13.4
152.04347	0.7
160.01674	32.1
161.02220	1.7
163.04063	0.7
171.10249	0.7
172.53146	0.6
175.04019	38.9
176.04367	3.1
176.69926	0.6
177.01947	3.6
193.05080	3.9
209.08197	0.7
211.06157	2.5
354.79501	0.8
433.34744	0.7
469.33203	2.4
487.34457	2.4
513.32355	0.7
529.35938	0.6
537.91461	0.7
607.36005	0.7
622.38678	1.7
623.38629	0.8
637.40662	1.0
663.39026	11.5
664.39978	3.0
666.38000	2.4
681.40143	100.0
682.40479	26.6
682.52374	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.4012
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84032	0.8
56.92042	0.6
57.03449	1.5
64.76389	0.7
68.99831	1.1
69.19061	1.8
69.19473	3.6
76.86205	0.7
85.02950	1.7
85.06620	1.1
87.04523	20.9
95.05016	1.3
98.87702	0.8
99.00871	2.0
99.80743	0.8
100.52997	0.7
101.06091	20.8
109.02925	1.0
109.06583	1.5
111.04521	7.5
111.08185	0.9
113.09741	10.2
123.08209	1.3
125.02440	0.9
125.06097	3.3
125.08530	0.7
137.02448	0.9
138.40581	0.7
141.05632	1.2
151.04013	1.2
153.01985	0.9
154.02724	2.3
165.09254	1.9
166.02647	5.4
166.06348	0.9
169.05064	12.2
170.60258	0.8
176.03226	0.8
179.07104	1.1
181.08714	60.2
182.02203	1.1
182.09044	4.5
183.09142	0.8
191.07104	0.8
193.08710	1.4
195.06642	4.4
207.06636	2.9
208.07401	11.6
209.08211	6.4
221.08212	8.3
222.08885	2.9
223.06055	1.8
223.09772	2.9
224.06908	8.9
235.09836	4.0
247.09747	5.8
247.82907	0.8
261.11264	1.2
263.12952	1.0
275.20297	1.6
289.18106	1.2
293.13940	1.8
343.19040	4.6
357.20789	3.2
399.25366	1.3
417.26636	2.0
431.17313	1.2
431.24347	2.7
443.24213	0.8
444.24741	3.4
445.25986	100.0
446.26337	13.1
472.44104	0.8
499.30707	10.4
500.31143	2.0
555.28326	0.9
681.39374	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	681.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.6
75.29273	0.4
83.05029	0.4
85.02939	2.0
85.06591	1.2
87.04513	5.3
95.05010	1.2
97.06609	1.2
99.00877	1.3
101.06100	3.6
111.04530	6.2
112.04835	0.5
113.06078	0.6
113.09750	2.0
125.06087	1.9
129.01935	0.9
141.05566	1.8
151.03928	0.7
153.01982	0.4
154.02716	0.9
166.02742	0.9
169.05061	13.5
177.05515	0.6
179.07149	0.8
181.08716	19.4
182.02232	1.8
182.09016	1.2
193.08676	1.7
195.06625	3.2
205.15964	0.6
207.06503	0.8
208.07370	2.7
209.08107	1.9
213.70053	0.4
221.08183	1.4
222.08983	0.6
223.06161	1.8
224.06898	11.3
225.07246	0.7
235.09807	0.5
247.09767	1.0
258.24588	0.5
263.12836	0.7
274.02502	0.5
275.20151	3.1
289.18091	0.5
289.21533	0.4
293.13901	1.0
312.97250	0.5
313.54556	0.4
333.20609	0.6
343.19168	1.6
357.20642	1.3
361.20297	1.2
375.21756	0.6
379.46423	0.5
387.25458	1.0
399.25452	0.6
401.26822	0.8
417.26517	2.0
427.25278	0.6
431.24500	1.7
445.25961	100.0
446.26300	15.0
446.32581	0.6
499.30383	2.5
681.39832	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.6
82.74446	0.5
85.02954	3.6
85.06583	2.5
87.04522	10.8
95.05011	1.1
97.06599	1.3
99.00896	1.4
101.06110	4.6
109.02973	0.8
111.04539	9.0
112.04915	0.7
113.09752	1.8
122.24118	0.7
125.06052	2.2
129.01915	0.7
141.05565	1.4
151.04018	0.9
154.02707	0.9
166.02711	1.4
169.03741	1.1
169.05084	15.0
179.07147	1.1
181.01353	0.8
181.08711	14.0
182.02200	1.5
182.09012	1.0
191.07245	0.6
193.08636	2.0
195.06662	5.3
205.16029	0.8
208.07440	3.5
209.08151	2.5
221.08206	1.4
222.09016	1.6
223.06104	2.6
224.06920	13.0
235.09665	0.9
247.09758	1.3
249.14883	1.2
273.18594	1.2
273.35059	0.6
275.20142	3.9
290.47205	0.7
292.89130	0.6
293.14063	3.3
343.19086	1.8
357.20892	1.8
361.20282	1.3
387.25613	2.5
401.26953	1.4
417.26541	1.8
429.27017	0.7
431.24423	3.3
444.28918	1.2
445.25949	100.0
446.20474	1.1
446.26276	15.0
499.30438	3.7
663.39026	1.7
681.39526	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	681.4223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10637	0.3
55.01884	0.4
57.03450	0.5
59.01384	100.0
60.01716	0.8
61.98831	5.4
64.55793	0.3
65.40897	0.3
69.36162	0.3
71.01000	0.2
71.01389	6.1
71.28764	0.4
71.29128	0.4
73.02954	2.0
83.01407	0.7
85.02964	3.0
87.00890	1.0
89.02470	1.4
89.23724	0.3
95.01428	0.6
96.96021	0.3
97.02956	0.3
99.00915	0.8
101.02452	4.5
108.02197	0.5
111.00919	1.4
113.02475	2.8
113.03215	0.4
119.03518	0.5
121.03003	0.4
123.04525	0.4
125.02470	1.3
129.41881	0.3
134.56554	0.3
135.04587	0.5
137.02538	0.6
139.04082	0.6
143.03571	0.6
149.06207	0.3
151.04091	0.7
159.03041	0.9
161.02541	0.4
161.04581	4.6
163.04102	0.8
164.04878	0.9
165.05644	0.5
167.03416	0.4
169.01485	0.4
179.03639	0.4
179.07242	0.8
181.05086	0.3
207.06567	0.3
313.10101	0.7
341.11053	0.4
343.15649	0.5
357.26474	1.7
459.27975	0.7
459.35229	1.3
473.33090	0.9
475.34387	0.5
489.35977	0.5
501.21548	0.9
519.33331	0.5
621.40167	9.5
622.40460	1.6
681.37567	2.9
682.38580	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.4568
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96220	1.0
53.11746	0.9
61.98827	1.9
71.29121	1.2
74.57547	0.9
78.77824	1.1
99.08140	2.4
105.11794	1.0
125.09744	1.4
127.11327	2.2
137.44005	1.2
139.11290	2.8
157.08305	1.0
158.43622	1.1
163.11218	2.5
165.12852	18.4
166.13266	1.2
171.10262	4.3
179.10768	1.0
182.62895	1.1
183.13942	4.3
191.06889	1.0
193.08438	12.1
193.12213	2.3
205.12111	2.9
207.10089	1.9
209.07828	1.4
209.11996	1.2
211.13431	21.3
215.10562	1.1
219.10068	3.2
221.11592	11.6
229.14452	10.9
230.14816	1.1
231.10028	7.8
232.10509	1.2
233.11598	95.4
234.11937	4.7
235.93011	1.1
249.11159	12.7
251.12938	21.9
300.90652	1.1
311.22415	1.6
329.23349	80.5
330.23706	8.1
351.21536	100.0
352.21881	10.6
357.26401	2.1
519.33350	2.9
519.41315	1.3
536.35175	1.1
628.38348	1.1
681.35388	1.2
681.45245	12.0
682.45319	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	682.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51688	5.0
55.54852	4.1
56.90127	4.6
59.01380	18.5
60.57645	4.4
61.98835	62.5
70.92453	10.7
71.01379	20.1
78.55949	4.6
83.01385	7.0
85.02942	5.2
87.00893	5.5
88.98817	32.8
89.02443	6.4
96.15398	4.2
97.64198	4.4
99.92610	10.0
101.02449	7.2
107.01419	16.4
108.02215	6.9
109.03011	5.4
111.00864	6.9
113.02490	7.6
114.64346	4.4
116.92883	5.6
121.03016	8.1
123.00900	12.4
123.04542	11.6
125.02455	38.7
128.09750	4.5
135.04494	4.8
139.00426	8.0
151.00351	9.6
161.02480	7.2
165.05565	9.3
167.93596	4.6
169.01431	46.6
179.03441	6.2
198.12349	5.0
460.31610	8.5
467.19232	39.1
473.32892	11.1
474.33276	6.8
485.32739	5.1
503.20831	7.1
596.87238	5.8
619.20392	100.0
620.20636	21.7
647.38116	10.2
655.10779	5.8
682.35815	6.3
683.10675	30.2
683.21033	8.9
683.37091	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	682.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	19.3
61.98838	41.3
64.94041	3.7
69.26956	15.7
69.27358	5.0
71.01381	10.4
85.02976	5.0
89.02451	4.3
90.85941	2.9
93.03464	3.2
95.01408	4.1
98.22500	5.8
99.92579	9.8
101.02431	7.2
107.01394	9.8
109.02973	3.9
111.00892	5.2
111.02819	2.9
115.92101	4.2
123.00876	10.1
123.04505	4.0
125.02459	36.1
133.02969	7.7
135.04553	14.7
136.98894	4.1
137.02423	5.8
139.00391	5.8
140.01141	5.4
151.00374	5.7
161.02425	33.5
163.04066	3.9
164.04781	29.8
165.05453	3.8
168.00694	7.0
169.01436	38.3
175.04050	4.3
179.03569	18.0
179.07108	17.0
180.04083	3.3
193.15987	4.2
209.08232	6.2
209.11961	3.8
267.16080	8.1
314.04544	5.4
323.07791	17.9
357.26685	5.0
467.19299	34.5
468.19458	4.7
473.36694	16.5
474.36526	10.3
485.32886	11.6
501.32413	6.8
502.32953	4.3
503.15451	20.8
519.33350	15.3
520.33746	16.9
619.20367	100.0
620.20685	15.0
639.41235	4.1
675.14435	3.9
683.10388	17.0
683.20923	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	682.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
60.09810	0.2
61.98833	100.0
63.66172	0.3
67.51373	0.2
94.96594	0.3
109.02969	0.3
116.92883	0.5
133.02972	0.9
135.04521	0.6
137.02451	0.4
139.04034	0.5
161.02495	1.7
165.02007	0.3
188.46182	0.3
204.29655	0.3
273.51752	0.3
298.32849	0.3
315.30511	0.3
335.18259	0.3
344.76901	0.3
397.72623	0.4
619.36444	6.2
620.36896	1.9
636.13287	0.3
647.36084	0.5
682.37012	0.4
683.36810	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.3813
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15982	0.1
59.01136	0.1
59.01374	0.8
61.98835	100.0
62.98541	0.2
64.02777	0.1
64.03131	0.1
69.03400	0.1
71.01399	0.4
71.27631	0.1
82.61704	0.1
89.02457	0.5
101.02483	0.4
108.02206	0.2
109.03033	0.1
113.59653	0.1
121.02988	0.2
123.04539	0.3
125.02465	0.2
151.04103	0.1
153.74135	0.1
160.01747	0.1
161.02438	0.2
211.13387	0.1
259.55441	0.1
277.48364	0.1
299.09290	0.2
300.03192	0.1
439.32114	0.3
441.34088	0.6
457.33649	0.2
458.33566	0.2
459.34253	0.3
460.34860	0.6
485.32739	3.5
647.38043	2.6
682.25677	0.2
682.37036	0.2
683.24445	0.5
683.36487	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30948	0.4
55.07992	0.4
61.98836	100.0
62.98512	0.4
69.09220	1.4
69.09647	1.7
98.21796	0.7
111.51294	0.5
133.03004	0.7
146.97906	0.4
161.02448	2.8
201.34164	0.4
257.93640	0.5
329.01547	0.4
332.40424	0.4
349.02219	0.4
414.65118	0.4
423.54971	0.4
446.77533	0.4
480.65762	0.4
505.53928	0.4
619.40161	5.6
620.41125	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74755	2.3
54.37749	3.1
57.03457	13.6
57.69464	2.4
58.67350	2.5
58.69662	2.3
60.99308	7.9
63.25862	2.8
69.01534	3.2
69.63242	2.4
71.27918	3.3
83.01396	5.8
88.98812	24.3
109.02991	12.4
123.00934	3.0
123.04583	5.6
123.39146	2.8
125.02452	100.0
125.03347	6.3
126.02801	5.0
135.04500	3.9
137.02432	17.2
139.04027	12.0
149.02452	3.7
151.04002	6.8
161.02510	18.0
164.01183	6.6
165.01933	12.3
167.03520	11.7
169.01425	3.8
175.04045	9.3
177.01933	31.2
179.03490	8.0
180.51700	2.7
203.07188	3.5
217.04987	3.3
219.06612	5.0
220.06329	2.8
221.04443	2.9
229.05023	3.4
231.82494	3.1
243.02838	6.8
245.04530	5.9
255.03099	13.7
256.03702	4.6
257.04489	3.4
261.88824	3.4
269.04529	6.3
273.04022	6.1
283.02625	8.0
284.02866	3.0
287.05743	8.1
289.07175	15.3
297.04077	4.7
305.06720	51.2
306.07043	3.9
404.36029	3.2
407.07800	22.8
410.78174	3.1
417.26413	3.5
423.07214	56.4
424.07489	4.6
425.08719	21.9
441.08212	17.3
463.36926	2.9
467.09900	10.8
468.10751	3.5
581.61700	3.0
593.13098	24.7
594.13922	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	683.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37237	0.9
51.76315	1.1
55.01856	1.1
59.01382	16.4
70.41542	2.2
71.01381	11.5
72.99305	1.0
77.43078	0.9
83.33289	0.9
85.02951	3.1
85.06585	7.1
87.00869	1.1
89.02446	10.6
93.38115	1.0
95.01351	1.9
101.02448	8.7
109.02943	1.1
112.43945	0.9
113.02460	5.4
113.06097	1.9
115.07655	1.1
119.03491	3.7
123.04552	1.1
125.02422	2.8
127.07670	1.2
130.17218	1.1
131.07155	39.2
132.07474	1.5
137.02377	1.3
167.03531	1.0
169.01482	1.7
173.08206	1.3
175.03928	1.2
179.05641	1.1
179.26656	1.0
186.74286	1.0
205.16345	1.0
210.85406	1.5
289.07138	2.9
293.12433	100.0
294.12701	6.6
301.00150	1.6
530.80786	1.1
637.78137	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.336
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
68.99289	37.4
72.99374	3.9
80.91685	6.3
88.70024	4.2
88.98817	8.9
91.36264	4.2
91.53816	4.6
96.86419	4.5
109.02948	4.6
112.22312	4.4
117.59016	4.0
123.04528	21.1
124.70793	5.0
125.02439	5.2
133.02951	14.8
135.04530	8.2
137.02472	7.3
139.03938	5.1
145.02943	6.7
161.02475	50.7
167.03615	9.7
189.74352	3.8
277.21759	4.9
292.78796	4.5
384.20511	4.7
448.16977	5.0
471.34961	6.0
603.36737	10.3
621.36975	6.4
633.29681	5.1
647.35809	90.5
648.36505	20.4
683.39008	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	683.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	1.3
61.98835	1.3
65.01774	0.7
69.42713	4.1
77.87234	0.7
81.81197	0.7
91.38110	0.8
123.04535	0.9
125.02453	1.3
127.74454	0.6
149.02437	0.8
161.02463	0.6
191.03496	2.9
197.02182	4.6
313.70840	0.7
379.30017	0.7
391.30035	2.2
393.32275	0.9
401.28101	1.0
409.31186	11.3
410.31577	1.7
417.28394	0.8
421.31091	3.4
439.32196	14.4
440.32605	2.7
441.33865	1.7
455.31787	2.0
456.31909	0.9
473.32742	100.0
474.33115	16.1
517.31854	5.9
683.14819	1.0
683.35870	7.7
684.35742	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.3604
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.0
61.98834	2.3
69.04871	2.3
69.05293	1.6
71.01373	1.0
87.04523	0.9
88.16469	0.4
89.02446	1.0
101.02413	1.0
108.02185	1.1
109.02999	0.5
113.02443	0.8
116.92839	0.6
123.04518	1.4
125.02429	0.5
125.09708	1.2
130.07932	0.5
135.04523	0.5
136.01659	0.6
145.03027	0.6
149.02509	0.5
151.04082	0.7
161.02393	1.1
167.03523	0.5
167.14517	0.5
183.06708	0.4
183.13876	4.8
193.12384	0.8
193.49460	0.5
211.13406	100.0
212.13773	6.6
216.09354	0.5
235.08231	1.2
243.76178	0.5
253.09274	3.7
390.40366	0.5
429.21347	1.3
433.14832	0.7
447.22345	8.1
448.22723	1.1
516.21088	0.8
623.34521	1.2
640.38635	0.5
641.35248	0.6
684.40338	1.0
685.27051	1.0
685.40118	1.0
700.72723	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
60.23838	0.5
61.26207	0.4
61.98837	100.0
63.16847	0.4
68.99155	1.0
68.99559	3.7
73.92274	0.5
80.35977	0.4
116.92910	1.0
123.04602	0.6
133.03040	1.4
135.04546	0.8
137.02472	0.8
151.04079	0.5
151.41502	0.4
161.02467	5.2
162.02888	0.5
164.72362	0.4
175.03993	0.5
187.09726	0.5
554.95764	0.5
621.38074	10.7
622.38330	2.6
648.36548	1.4
649.37329	1.4
684.38171	1.1
685.29810	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
63.23470	0.4
65.89910	0.5
69.22739	3.4
98.21814	0.8
101.70313	0.5
121.03028	0.5
133.02945	0.8
135.04576	0.6
139.39806	0.5
145.03008	1.1
149.02507	1.0
161.02391	2.5
179.08546	0.5
223.54858	0.5
225.09189	0.5
226.59422	0.5
345.37341	0.6
351.00763	0.5
553.59827	0.6
621.41809	4.4
622.42389	1.0
649.37317	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.4119
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03688	0.2
50.52143	0.2
53.27901	0.2
54.51089	0.2
61.98834	100.0
69.08483	1.7
83.96658	0.3
97.94711	0.2
98.21797	0.4
133.03038	0.6
139.72482	0.2
161.02422	1.9
179.03673	0.2
204.54359	0.2
621.41669	5.6
622.41968	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74197	0.3
58.04559	0.3
61.98835	100.0
76.52161	0.3
78.91904	0.4
80.91690	0.4
82.12937	0.3
84.89158	0.3
87.24776	0.2
99.61430	0.3
102.52871	0.3
111.00875	0.4
111.08166	0.3
115.92113	0.5
116.92868	0.4
121.41809	0.3
125.09759	0.4
133.03004	0.8
135.04559	0.6
139.04034	0.3
149.02509	0.4
161.02463	2.3
162.02756	0.3
169.67267	0.3
331.28613	0.3
343.21539	0.4
458.16757	0.3
582.03357	0.3
621.41650	6.6
622.42255	1.5
631.36633	0.5
648.36548	0.4
649.37469	1.0
684.43286	0.4
685.44751	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
58.24329	0.5
60.68204	0.5
61.98836	100.0
68.49197	0.5
69.99809	0.5
73.67395	0.4
98.22607	1.1
119.77598	0.5
133.03008	1.9
160.24658	0.5
161.02473	3.5
165.99573	0.5
199.65768	0.5
213.42735	0.5
215.88100	0.6
320.36771	0.5
333.79877	0.5
529.29980	0.6
621.41644	5.1
622.42236	1.6
647.36511	1.9
648.37158	2.1
649.37982	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.4122
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76008	0.5
61.98835	100.0
64.61053	0.4
74.17577	0.4
98.22527	1.1
120.34143	0.4
133.03012	1.0
137.00064	0.4
138.31326	0.4
148.34024	0.5
161.02504	1.7
188.25803	0.4
278.22333	0.5
621.41699	6.2
622.42120	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.9
59.01387	4.9
61.98837	1.0
67.01894	0.8
69.03468	1.6
71.01380	3.6
71.29840	1.1
73.02965	0.8
79.01904	0.9
81.03499	1.3
83.01392	0.9
85.02969	1.3
85.23229	0.8
87.00871	1.2
89.02457	0.9
95.01451	1.0
96.96033	1.1
97.02974	1.6
99.76360	0.7
101.02454	1.2
107.01393	10.5
108.02229	1.3
109.02944	1.4
111.00910	2.5
113.02505	0.9
121.02961	1.0
123.00902	3.8
123.04588	1.1
124.01653	1.8
125.02457	56.8
126.02788	1.3
127.00346	1.0
127.58826	0.8
131.01393	2.5
133.18048	0.7
135.04544	1.5
136.98833	1.7
137.02472	2.0
137.06172	0.9
139.00389	3.1
140.01213	4.0
149.02408	2.4
151.00400	3.9
151.04021	1.2
152.01196	1.1
153.01938	0.9
161.02448	1.7
163.03987	1.8
165.01947	1.7
167.03473	1.6
168.00676	11.2
169.01436	75.5
170.01804	2.5
173.02480	2.0
175.00378	11.1
179.03490	0.9
181.04929	1.0
183.48367	0.7
187.60570	0.7
193.01466	2.8
211.02492	41.6
212.02818	2.3
217.05090	1.4
218.05876	3.1
219.06590	5.3
222.67767	0.8
228.04216	1.8
233.08192	16.4
234.08536	1.1
241.03580	3.9
243.06628	56.6
244.06915	5.6
245.08356	0.9
257.04556	1.1
261.07690	25.2
261.10376	1.6
262.08029	2.1
271.04630	18.0
272.04910	1.5
273.07703	4.9
274.07977	0.8
285.07773	1.4
289.07220	1.1
291.08749	8.0
292.09116	0.9
357.26563	2.7
361.12885	2.8
375.27603	2.2
381.11948	8.1
487.30283	1.2
501.85034	0.8
515.11981	100.0
516.12341	16.5
523.18140	0.9
524.29327	0.9
533.13013	38.1
534.13196	6.1
685.13965	1.9
685.38202	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	685.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.2
61.98811	1.2
65.00328	1.2
67.01894	1.0
69.03447	2.3
69.14551	6.1
71.01380	3.5
72.58805	0.8
73.02974	1.4
79.01903	1.4
83.01387	1.2
85.02974	1.6
93.04830	0.8
94.72430	0.9
95.01411	1.6
97.02947	2.0
99.92610	1.1
101.02447	4.7
101.58472	0.8
105.03407	1.4
107.01386	19.3
108.02209	1.6
109.02979	2.0
109.06618	1.4
111.00900	3.4
111.04530	1.4
113.02437	1.4
116.92876	8.0
121.02961	2.2
123.00893	6.1
123.04496	1.2
124.01707	1.6
125.02455	90.9
126.02796	3.2
135.04559	0.9
136.98817	1.7
137.02466	2.9
139.00378	2.3
139.03981	0.8
140.01164	3.9
145.03011	0.8
147.04510	1.2
149.02429	3.6
151.00378	2.5
152.01196	2.5
155.83633	0.7
160.61041	0.8
161.02463	3.8
163.04015	2.7
165.01978	2.0
168.00642	6.2
169.01439	100.0
170.01785	4.1
171.04529	1.5
179.03526	1.8
181.01450	2.3
183.02950	1.1
187.04077	1.2
188.72400	0.8
191.03554	7.8
193.01437	4.7
203.03535	1.3
209.08235	1.0
211.02495	23.0
215.03496	7.8
216.00655	3.8
217.05075	3.3
217.08754	1.1
218.02319	1.1
218.05798	6.2
219.06631	9.4
229.08952	1.1
231.06628	3.4
232.07281	1.3
233.04681	1.4
233.08194	19.4
234.08614	2.6
241.03537	7.4
243.06606	4.5
245.08179	5.1
247.06107	1.0
253.03421	1.2
255.10414	1.3
257.04709	0.9
257.08340	1.5
259.06085	6.7
259.09576	1.9
261.07669	22.3
262.08096	1.1
264.06317	1.9
271.04535	8.1
271.09555	1.6
273.07690	13.9
275.09204	6.5
276.09766	1.2
277.07071	1.6
283.09787	1.4
285.07751	2.4
289.07242	1.5
291.08752	9.9
299.09262	4.3
303.08774	24.4
304.09064	2.9
327.08731	7.9
328.09399	1.1
345.09784	7.0
363.10852	18.0
364.11176	1.7
373.18790	1.3
375.27701	2.6
381.11752	1.4
405.04541	1.1
423.05713	21.5
423.11285	1.4
424.06049	2.4
432.74979	0.8
443.31729	2.9
497.10907	3.0
515.11932	28.4
516.12177	4.6
523.18329	1.0
533.13068	14.2
534.13623	3.1
603.71484	0.9
685.14099	84.0
686.14490	19.6
703.20862	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00716	0.8
55.01882	0.7
57.03447	2.0
59.01382	6.2
61.98831	10.4
68.99844	0.9
69.02715	1.9
69.03127	5.7
69.03443	2.6
69.12828	0.8
71.01383	4.9
73.02956	2.1
79.01900	1.7
81.03474	1.9
83.01398	1.5
85.02962	2.6
87.00919	1.7
88.98860	1.1
89.02464	1.8
93.03466	1.2
94.15688	0.7
95.01395	2.3
96.96083	0.8
97.02978	2.9
98.22491	1.6
99.00857	0.8
101.02446	5.3
101.32999	0.8
105.03493	1.5
107.01391	19.1
107.02056	1.2
108.02196	5.0
109.02987	3.0
111.00925	2.9
111.04549	1.2
113.02457	1.8
115.53864	0.7
116.92899	2.4
121.03008	2.1
122.03768	1.4
123.00897	5.9
123.04544	4.8
123.08179	1.7
124.01720	3.4
125.02458	100.0
125.09729	0.9
126.02840	2.5
127.00422	1.1
134.03778	1.2
135.04547	2.3
136.01743	1.0
137.02472	2.7
138.03221	1.0
139.00407	3.8
139.04070	1.2
140.01196	2.7
147.04613	1.1
147.08180	1.2
149.02490	4.9
149.06099	1.5
150.06891	24.5
150.08051	1.7
151.00427	1.7
151.04016	1.9
151.07294	0.9
152.01170	5.5
153.01990	2.3
161.02490	2.7
161.04547	1.4
162.06952	0.9
163.04126	1.4
163.07678	4.8
164.04822	1.9
164.08447	4.5
165.02020	2.7
166.99916	1.9
167.03490	6.1
168.00664	8.0
169.01442	95.9
170.01830	3.5
171.04549	1.3
175.04088	1.1
175.07642	1.0
177.01923	1.0
178.10072	1.2
179.03650	1.0
179.07187	0.9
179.10802	10.7
181.01456	3.9
182.02187	1.1
183.03101	1.1
187.04163	0.9
189.05646	0.7
189.09280	0.9
191.03543	1.1
193.01442	6.0
193.77200	0.8
197.04620	1.1
211.02472	15.3
211.04259	1.2
212.02950	0.9
215.03603	1.3
217.05083	8.2
218.05840	8.0
219.06612	6.3
229.08810	2.7
231.06645	9.7
232.07414	2.8
233.08189	18.9
234.08549	1.4
235.02571	0.9
241.03592	3.4
243.06657	4.2
244.07237	1.0
245.08160	9.6
253.03683	1.1
256.07425	1.4
257.08331	2.4
258.05362	2.2
259.06064	7.5
259.09827	2.6
261.07675	23.2
261.10315	1.3
262.08084	1.7
264.06488	3.6
271.04471	6.2
271.09814	3.3
272.10248	0.8
273.07684	11.0
275.09268	9.5
283.09750	2.0
284.07230	1.0
285.07822	3.6
289.07230	1.4
291.08762	16.4
292.09195	1.3
299.09155	5.7
303.05377	1.1
303.08740	28.0
304.09357	2.4
315.09042	1.8
316.02368	2.2
317.02985	1.5
327.08740	9.3
343.12003	1.5
343.21521	3.0
345.09854	9.8
346.10330	1.3
363.10861	34.6
364.11130	3.8
364.22858	1.3
373.25967	7.9
381.12018	3.5
405.04797	1.1
417.12341	1.6
423.05722	32.5
424.06363	2.7
465.06592	1.1
473.15054	1.0
475.17825	1.6
476.33173	1.0
477.32434	3.6
497.11240	3.4
505.19345	0.9
515.11969	28.6
516.12268	4.2
523.32678	14.4
524.33374	1.6
533.13019	25.7
534.13538	4.1
534.21002	0.9
625.39307	1.5
684.96747	1.2
685.13977	63.8
685.38434	64.6
686.14166	15.3
686.38776	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
58.40039	1.1
69.72726	2.3
69.73119	2.8
98.22518	1.5
108.64996	1.2
109.29038	1.2
113.60876	1.2
114.59018	1.4
153.09229	3.6
177.09227	1.6
197.08250	2.7
221.08289	1.4
222.98712	1.3
239.09286	2.7
257.00900	1.3
269.98080	9.6
270.98642	2.0
282.62628	1.3
285.00476	11.1
297.97583	33.1
298.00940	2.2
298.98260	3.7
312.99942	65.6
314.00592	7.6
327.01434	1.4
328.02255	65.9
329.02954	15.4
341.12601	3.0
343.04623	100.0
344.04959	9.3
351.05090	1.2
372.54703	1.5
523.28186	1.3
569.62292	1.3
685.17761	8.8
685.36200	1.4
686.17328	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.7
57.03445	10.1
58.58070	1.9
59.01380	21.4
59.55967	1.9
61.28615	2.0
66.21815	2.1
67.01885	3.8
68.99808	2.7
69.01150	6.6
69.01575	12.1
69.03470	10.9
71.01385	29.7
72.99303	6.3
73.02957	13.3
78.46951	2.0
81.03455	3.4
83.01401	9.9
85.02547	1.8
85.02956	86.8
87.00879	100.0
89.02453	4.6
93.03483	3.1
95.01396	29.1
96.96017	2.9
96.96989	2.2
97.02956	33.2
98.22527	4.5
99.00919	2.5
99.04567	3.1
103.04018	10.9
109.02958	2.5
111.00890	37.5
113.02456	42.0
115.00367	12.7
125.02473	5.4
127.04036	7.7
129.01944	4.4
139.00378	29.2
155.03529	7.4
157.01424	26.9
163.06158	3.0
173.04619	5.5
175.02483	56.3
176.02899	2.3
199.02551	6.0
217.03510	35.7
259.04672	4.0
285.06201	4.4
303.07236	24.3
304.07626	3.5
321.08240	8.7
345.08368	14.4
363.09464	7.3
376.31219	2.2
470.91336	2.3
477.55478	2.2
521.11383	25.4
522.11810	2.8
539.12854	2.3
581.13593	14.2
666.88220	2.5
667.17468	18.3
668.17676	2.4
685.18188	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	685.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99596	0.9
59.01387	1.3
60.97524	0.6
61.98813	0.7
63.96242	35.0
71.01395	1.0
72.99313	23.6
73.98318	6.9
74.99103	5.2
87.00884	1.2
91.99365	1.5
96.96045	0.6
98.22566	0.9
101.02490	0.6
101.99782	0.6
102.97942	0.8
102.98590	5.2
117.13210	0.5
117.97321	20.0
125.02446	1.0
135.98370	100.0
136.99074	1.8
150.03252	0.7
150.06911	0.5
151.04047	0.5
161.04550	0.6
165.05573	0.7
169.01483	0.9
178.06432	0.7
179.07031	0.6
180.66838	0.6
194.05867	1.8
209.08200	1.9
241.05429	2.0
283.04959	4.5
430.06592	0.6
455.31754	0.9
485.32962	1.3
491.12555	1.4
523.32843	0.6
591.37549	0.6
685.37494	1.9
686.40240	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88974	0.9
59.01379	0.8
60.73987	0.7
60.97543	1.9
63.32234	0.8
63.96244	33.2
69.05585	5.8
72.98911	1.5
72.99312	24.0
73.98320	10.1
74.99102	96.2
75.99430	1.5
78.87251	0.8
91.99364	0.9
96.96021	1.1
108.30702	0.7
109.02982	0.8
117.97321	17.1
124.01627	0.9
125.02453	2.3
135.04582	1.9
135.98373	51.1
136.04903	1.1
136.99158	100.0
137.99481	1.7
167.03453	0.9
224.37471	0.8
249.65604	0.7
296.01669	0.8
300.99850	0.8
340.09613	1.5
355.11954	2.2
370.14157	1.6
403.12589	0.7
403.17624	12.5
403.22672	1.4
404.18143	1.6
465.44928	0.8
617.66412	0.8
634.84210	0.9
640.27917	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.0
57.03464	1.3
58.00602	3.2
59.01383	100.0
60.01714	1.0
61.98849	0.8
71.01389	51.1
71.29355	0.5
72.01732	0.7
72.99305	3.7
73.02950	1.2
83.01387	1.8
85.02956	8.6
87.00898	3.1
89.02454	70.5
90.02770	1.1
93.03490	0.7
93.05596	0.6
95.01390	3.4
101.02451	23.5
102.02798	0.6
109.02905	0.5
111.00949	0.8
113.01655	0.4
113.02461	19.5
119.03514	25.9
119.53964	0.5
120.03822	0.5
125.02425	2.5
131.03474	3.1
135.04517	2.2
137.02446	1.3
143.03520	5.2
149.04538	2.2
149.06058	0.7
151.04025	0.9
153.37914	0.5
161.02426	0.6
161.04565	5.4
179.05634	15.4
179.07175	1.0
180.06061	0.4
181.05110	0.9
195.06651	0.7
251.09056	0.7
289.06967	0.8
343.11835	0.9
371.14590	0.9
389.25079	1.6
463.19583	0.6
528.27808	0.4
595.17639	0.5
685.29297	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13124	0.6
52.02319	0.6
55.01888	0.7
57.03449	1.1
58.00612	3.4
59.01381	100.0
60.01719	1.5
71.01383	47.7
72.01723	0.7
72.73505	0.6
72.99303	3.4
73.02953	1.3
83.01406	1.6
85.02950	7.5
87.00881	3.1
89.02448	63.0
90.02775	0.8
93.03471	0.5
95.01415	2.5
98.22618	1.2
101.02451	22.6
111.00904	0.8
113.02460	18.4
119.03506	24.0
120.03889	0.8
123.37598	0.5
125.02470	1.7
126.75213	0.5
131.03511	3.1
135.04503	1.5
137.02484	0.7
143.03484	4.7
144.79225	0.6
149.04568	2.3
161.04559	5.1
165.01918	0.6
168.90088	0.6
176.62592	0.6
179.05614	15.6
179.07156	1.2
199.31668	0.5
272.49139	0.5
343.12064	0.7
356.53305	0.6
371.15219	1.4
389.25439	0.8
497.63556	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
61.46954	1.0
61.91575	1.4
61.98836	4.1
71.28098	1.7
85.02980	1.7
87.04535	2.2
109.02943	2.1
109.06606	1.3
111.04536	10.1
111.08224	1.3
123.08186	2.0
124.01676	1.5
125.02435	4.6
137.02461	12.8
139.07663	1.6
151.00372	1.5
153.01949	1.5
160.01802	1.5
163.00415	2.4
170.02255	2.9
171.03004	6.4
177.05605	4.6
179.07100	4.6
181.05093	2.6
181.08693	9.2
183.06760	1.7
189.05609	6.0
195.06638	38.8
196.06999	1.7
197.08253	2.0
207.06642	100.0
208.06958	7.2
209.08286	2.0
223.06119	33.9
224.06520	3.1
226.04880	1.8
235.06255	1.5
241.07190	79.8
242.07552	4.7
249.11316	1.3
254.84444	1.2
261.11322	3.2
279.23318	1.6
279.26233	1.3
387.14340	1.9
406.28452	1.2
443.20496	3.1
477.06976	1.2
639.36188	1.7
685.27258	1.7
685.37378	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	685.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44853	0.4
55.52500	0.3
57.03448	0.8
58.00592	0.9
59.01381	2.5
61.86441	0.5
61.98844	2.0
71.01390	2.0
73.02959	4.0
74.00773	0.4
78.17460	0.4
82.84607	0.4
85.02937	1.5
89.02454	0.7
92.87663	0.4
93.03494	0.7
95.05042	0.5
96.95999	0.4
97.02914	1.0
99.04552	0.5
101.02428	0.8
108.02184	2.3
109.02959	1.7
113.02477	0.5
116.92879	0.7
119.87233	0.4
122.03791	0.4
123.04499	1.3
125.02454	1.9
135.41637	0.4
146.28059	0.4
149.02443	0.6
151.03984	0.5
152.01170	2.0
153.01955	1.0
161.02438	0.4
168.00630	0.4
169.01392	1.0
176.52266	0.4
179.07114	0.8
182.52876	0.4
182.74757	0.5
197.02243	0.7
287.19998	0.5
357.27985	0.9
360.11386	1.6
360.61737	0.7
373.25934	1.7
383.29501	0.8
385.31046	0.6
397.31339	0.5
425.30612	1.2
443.31680	0.7
487.30624	100.0
488.31003	17.9
649.35577	3.2
650.36224	0.6
685.33105	9.0
686.33551	2.2
701.28162	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52170	1.2
61.98833	4.7
69.11566	7.5
69.11971	2.1
73.82864	1.4
93.03458	1.8
98.21856	2.0
99.24892	1.2
109.22124	1.2
115.67105	1.3
121.02968	2.6
128.91930	1.2
133.02957	13.8
134.03745	11.8
135.04507	7.8
137.02463	12.2
139.04013	4.2
146.35553	1.5
148.05293	1.5
149.06096	2.6
150.03270	2.1
161.01126	1.8
161.02467	34.5
161.03773	2.6
163.90921	1.3
178.02725	9.3
179.03502	6.5
222.32196	1.3
267.36472	1.3
301.14499	3.9
315.15982	1.6
319.77438	1.4
353.17654	9.5
354.18082	2.1
355.19101	10.4
368.20053	3.5
369.20782	26.7
370.21063	4.7
400.19165	2.2
402.20532	2.8
474.71576	1.3
509.88843	1.5
571.37976	14.6
572.38477	3.2
587.37622	8.5
615.36877	15.1
616.36902	2.6
632.36444	1.8
649.37488	100.0
650.37781	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	685.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.5
61.34957	1.2
61.98832	25.6
68.99250	3.6
68.99654	11.0
71.06001	1.4
96.65224	1.3
97.02955	1.6
98.21797	3.0
116.92886	3.3
125.09679	2.2
133.02979	8.8
134.03732	2.4
135.04524	5.7
137.02473	4.9
149.02397	1.9
153.40045	1.2
161.02454	25.1
162.02734	1.8
164.04865	1.2
173.11743	1.7
177.01956	2.0
179.03499	2.9
182.60100	1.5
187.09828	1.6
263.29865	1.3
369.20691	5.1
411.83167	1.3
546.99841	1.4
587.37317	3.2
605.38635	1.5
622.37854	3.2
647.35498	5.1
649.37500	100.0
650.37750	27.4
685.42700	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	685.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93009	6.2
57.71914	6.6
59.01377	21.9
59.08179	6.5
61.98832	13.3
69.12704	35.9
69.13107	11.8
72.18340	6.4
73.66983	6.1
94.86894	6.3
116.92860	10.5
122.17842	6.8
123.04516	7.5
125.02481	16.6
155.46591	7.5
165.94933	7.3
167.03479	10.9
169.01544	12.0
299.99121	6.3
328.02414	11.2
343.04529	8.3
441.33856	8.6
443.35355	21.7
473.32742	11.7
475.34302	100.0
476.34644	18.7
485.32794	7.8
487.34467	38.4
523.23810	15.4
633.72015	7.2
685.46216	12.9
699.26617	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	685.3718
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73666	1.2
57.33044	1.3
59.01377	4.5
61.98835	100.0
62.22889	1.2
71.01377	2.8
72.65984	1.5
85.02957	1.6
93.82310	1.2
107.01390	1.7
109.61727	1.1
113.02466	1.5
123.00920	1.8
123.04533	2.3
125.02424	6.1
137.02408	2.0
164.04816	1.2
165.01907	1.8
167.03513	3.0
169.01462	6.9
195.06750	1.9
197.02225	6.8
211.02487	2.8
240.26060	1.1
241.03534	1.9
303.57126	1.1
359.10583	16.0
359.60815	13.3
359.65039	1.7
360.11096	3.8
463.30847	1.8
475.33466	1.6
476.34055	1.7
477.34070	1.4
487.34341	90.4
488.34692	14.5
685.37646	18.1
686.37634	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	685.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	11.5
61.98832	17.2
63.93703	1.2
71.01385	7.6
73.02966	1.5
75.47519	1.1
76.35549	1.3
85.02940	2.3
87.00895	2.7
88.98809	3.4
89.02456	3.6
95.01398	1.7
96.96013	5.3
96.96925	1.6
97.02993	1.2
99.43114	1.2
101.02441	3.8
108.02189	5.7
109.02959	5.2
113.02463	2.6
121.02951	3.7
122.03769	1.5
123.00878	2.2
123.04514	5.5
124.01678	1.4
125.02481	10.9
133.03001	7.8
135.04515	4.8
137.02446	3.7
139.00394	2.8
139.04004	2.3
139.11287	3.4
149.02435	2.9
151.00409	1.3
151.04021	2.7
152.01195	4.2
153.01987	2.8
161.02466	15.4
163.03870	1.4
164.04811	11.3
165.01987	2.6
165.05573	3.8
167.03471	4.7
167.07178	2.2
168.00720	1.6
169.01419	4.4
175.04021	2.4
179.03444	2.6
179.07135	5.4
197.02202	6.6
201.11324	2.8
209.11913	1.5
228.89505	1.3
241.05200	1.7
267.06744	1.7
268.07361	3.7
283.09592	3.2
284.10742	1.9
289.07007	1.4
299.05688	2.6
317.06415	1.5
325.10748	1.7
343.11774	7.7
357.13126	2.6
357.26468	2.3
360.11450	2.0
369.07584	1.4
371.24417	5.9
373.25873	1.5
385.12976	5.1
441.37024	1.3
446.83188	1.4
483.22443	4.0
485.32693	4.1
487.15945	4.4
487.34384	100.0
488.34735	15.2
491.19214	5.1
505.16956	1.8
667.23816	5.9
668.23608	2.4
685.24719	10.4
685.37140	19.8
686.26208	3.0
686.37665	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	685.381
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.8
59.01381	0.8
64.87766	0.5
69.31060	2.3
69.31460	0.9
85.02962	0.7
87.00899	1.1
101.54415	0.5
111.08184	0.6
113.06093	0.8
123.08197	1.0
127.11327	0.8
135.08163	1.1
136.05313	0.9
149.06113	1.7
150.06879	40.7
151.07301	2.0
155.10809	0.8
161.09720	0.8
162.06831	0.9
163.07666	7.4
164.08429	7.3
165.05626	0.6
165.09113	0.5
171.10262	0.6
176.08481	0.7
177.09212	0.5
178.09979	2.9
179.10788	21.4
180.11104	1.7
184.11168	0.7
201.11311	0.6
243.03040	0.9
273.65491	0.5
278.19031	0.5
306.18509	2.2
307.35168	0.5
320.19955	0.6
321.20804	1.5
341.23187	1.1
343.21329	6.1
344.21750	0.6
350.20810	0.7
353.06201	0.5
392.19751	0.6
459.32059	0.6
462.30045	2.8
466.59409	0.5
477.32254	8.8
478.32852	0.9
504.30957	0.9
505.31766	1.9
522.31787	2.4
523.24890	1.2
523.32794	29.7
524.33142	4.8
685.38068	100.0
686.38336	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	685.3808
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.9
59.01388	3.0
61.98833	5.5
67.05827	0.6
71.01382	1.7
73.02943	1.1
80.25284	0.5
81.40025	0.6
85.02979	1.2
87.00854	1.0
89.02447	1.0
97.02991	0.7
97.06601	1.1
99.04559	0.8
101.02492	1.3
108.02169	2.9
109.02959	2.1
111.08150	0.6
113.02469	1.4
113.06141	0.6
116.92940	1.2
121.02954	1.0
122.03760	2.0
123.00944	1.0
123.04543	3.2
123.08184	1.0
124.01662	0.6
124.18850	0.7
125.02461	3.7
133.02997	1.3
134.03754	1.3
135.04541	2.3
136.05267	0.6
137.02457	1.3
137.06012	0.6
137.09686	0.9
139.00432	0.7
148.05391	0.7
149.02562	0.7
149.06081	2.8
150.06877	39.3
151.04045	1.0
151.07486	1.2
152.01173	3.3
153.01962	1.5
155.10857	0.9
161.02455	3.5
161.09744	0.9
163.07668	8.4
164.04871	0.9
164.08423	7.7
167.03545	2.1
167.10081	0.5
169.01447	2.5
171.10292	0.6
176.08458	0.8
177.09323	0.8
178.10039	1.3
179.03519	1.7
179.10788	20.8
180.11142	1.3
181.05061	0.8
208.67082	0.7
229.10793	0.9
261.07779	1.1
285.04092	1.1
292.20557	1.0
303.05228	0.8
309.11322	0.6
313.20413	0.6
315.09018	1.1
320.19998	1.7
323.07895	0.8
335.22433	0.9
341.08929	0.9
343.12051	2.1
343.21335	4.1
360.11633	0.6
364.22659	2.2
373.25949	3.9
386.46954	0.6
441.30316	1.3
447.13052	1.6
459.31213	0.8
462.29883	1.6
476.31302	0.9
477.32263	7.3
487.34692	1.7
493.31680	1.7
504.31451	1.3
505.31754	2.8
522.32068	2.1
523.32733	25.0
524.33228	3.8
533.13464	1.0
606.71350	0.7
641.21802	0.7
685.38269	100.0
686.21375	0.9
686.38580	22.5
703.06854	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3927
Annotation	Unknow
Peak:m/z	Relative Intensity
60.37032	4.0
61.98819	11.6
71.29671	6.7
75.90678	4.2
83.11984	5.0
111.08720	4.5
116.92850	9.6
127.05106	14.0
132.08260	4.3
135.00075	4.3
135.04498	5.4
151.62511	4.5
161.02347	7.7
174.05638	7.6
193.13492	17.3
208.10873	30.3
226.11966	23.9
228.17191	27.3
350.12921	5.0
356.97482	4.7
438.27188	100.0
439.27188	7.6
649.36310	6.7
667.38037	23.0
668.38190	6.6
685.39423	78.8
686.39374	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	685.3965
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72433	1.2
63.44877	1.1
64.23743	1.2
68.96710	7.2
68.97115	2.2
103.04033	1.2
109.06577	2.4
111.04541	2.9
113.09730	5.5
118.00130	1.0
123.08170	1.9
138.03244	2.5
145.60487	1.1
165.01950	2.2
165.09198	4.0
166.02711	13.2
167.02962	1.2
181.08722	32.9
182.08989	1.7
195.06685	1.6
199.72415	1.3
207.06624	3.4
208.07399	32.3
209.08041	3.4
210.08527	2.6
211.08803	1.2
219.06593	2.7
221.08173	1.9
223.06036	1.6
247.09747	11.8
279.23306	1.5
316.36942	1.2
321.48605	1.1
325.48447	1.2
380.65433	1.4
431.24286	2.4
447.23355	1.5
449.25467	100.0
450.25748	13.8
499.06253	1.4
503.30118	19.0
504.30353	3.2
538.14435	1.2
548.76355	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36086	0.5
56.50479	0.4
59.01368	1.1
70.49154	0.5
71.73928	0.5
72.99310	0.6
75.12616	0.7
83.01424	0.6
93.03447	0.8
108.99161	0.6
109.02998	0.7
111.73064	0.5
125.02414	1.7
135.98361	1.8
137.02431	2.1
151.04051	0.7
154.90506	0.5
160.01543	0.8
164.04712	0.8
166.88217	0.5
167.03452	0.8
169.01433	1.5
172.01634	1.5
173.02397	0.7
179.07294	0.8
185.02502	2.6
188.01122	0.9
200.01131	1.7
201.01936	1.2
216.00635	1.9
226.99887	0.7
228.00696	1.5
229.01430	2.4
242.99258	1.2
244.00037	3.4
245.01025	0.8
257.00861	1.6
257.78748	0.5
269.26547	0.5
270.98886	1.1
271.04538	0.7
271.99637	1.7
273.00140	0.8
282.98843	0.9
283.99695	2.1
298.01425	0.7
298.28876	0.5
298.98441	1.2
299.99136	69.9
300.99890	100.0
302.00229	7.3
316.21460	0.5
327.12436	1.3
405.19135	0.9
409.02548	0.6
445.04074	1.0
463.05124	1.0
476.00638	0.7
514.13898	0.5
687.15656	69.1
688.15875	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	687.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	0.9
61.98832	3.8
69.56078	2.6
69.56477	1.7
88.02752	0.7
96.95986	1.2
97.60696	0.8
98.22463	1.5
116.92866	1.3
125.02418	1.2
132.26285	0.8
148.05252	0.8
155.10826	4.0
199.09781	6.9
241.10811	1.9
254.99127	1.0
269.98019	8.4
283.11862	3.1
284.00018	0.9
285.00436	10.0
286.00751	1.4
297.97568	30.4
298.00964	1.6
298.98056	1.9
312.99945	57.1
314.00317	6.8
328.02261	61.6
329.02667	5.5
343.04608	100.0
343.13596	2.5
344.04999	10.8
346.99933	0.9
371.33063	0.8
517.54810	0.9
687.19940	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.1937
Annotation	Tricin 4'-O-(threo-beta-guaiacylglyceryl) ether 7-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.02682	0.9
53.40833	0.9
59.01375	1.2
67.01883	1.4
69.03468	1.2
71.01385	2.8
71.29356	1.6
85.02958	1.1
88.98848	1.8
93.03468	7.2
95.01385	2.0
101.02486	1.3
107.01399	4.9
108.02184	39.0
109.02977	18.8
111.00864	1.3
115.86130	1.0
116.92887	1.4
121.02968	4.3
122.03737	3.6
123.00918	7.4
123.04543	3.0
124.01661	1.5
125.02457	30.1
132.02174	2.1
133.02968	3.6
134.03778	4.9
135.04495	2.8
137.02458	12.7
139.00385	2.1
139.04024	2.6
140.01155	1.3
147.04524	2.4
149.02425	5.2
150.03241	16.7
151.00354	3.1
151.04039	7.6
152.01173	42.9
153.01962	13.0
153.05576	1.2
159.04565	2.1
160.01686	11.2
160.05324	2.7
161.02493	6.6
161.06052	2.4
163.03999	2.0
164.04813	1.3
165.01950	1.9
165.04294	1.6
165.05589	13.5
166.02721	2.2
167.03464	2.4
168.00661	2.0
169.01454	27.6
170.01750	1.4
175.04021	12.6
175.07654	2.2
177.01923	1.9
177.05640	0.9
178.02768	1.2
179.03464	3.1
179.07156	1.5
180.04370	2.0
181.01460	2.9
181.05049	3.0
183.02965	2.3
193.05054	3.7
195.06590	1.4
197.04578	1.4
203.97090	1.0
205.05035	1.2
213.52501	1.0
235.88246	1.0
271.04047	1.2
300.09961	2.6
300.99966	1.5
301.06973	1.0
311.09390	2.2
313.05637	7.9
315.07431	1.7
315.12415	5.9
323.07565	1.2
327.12897	1.0
329.13989	4.0
341.09024	1.7
373.13040	1.5
379.29538	0.9
428.99341	1.1
472.97644	1.0
489.10406	3.2
490.11078	11.3
491.12021	7.6
505.14011	1.1
525.14337	2.4
535.18066	1.3
643.20447	6.7
644.20569	1.2
669.18292	3.2
687.19318	100.0
688.19635	18.8
697.46814	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69796	1.4
59.01374	2.6
59.05285	1.6
61.98833	6.6
70.61710	4.3
71.01389	2.7
85.16616	1.4
88.98870	2.0
93.03472	2.8
101.02446	1.6
105.03476	2.6
105.20087	1.4
121.02924	1.7
123.04550	1.5
125.02430	6.5
132.02176	2.5
133.02962	37.9
134.03757	4.9
135.04552	25.7
137.02435	7.5
139.00401	2.2
149.02435	4.5
149.06070	2.6
151.03967	2.5
153.01945	15.3
159.01907	1.6
160.01723	2.3
161.02457	100.0
162.02789	4.2
164.04799	9.8
167.03461	3.2
168.04286	14.1
169.01414	3.0
175.04060	4.1
177.05524	2.4
178.02681	2.9
179.03506	20.3
179.07120	4.3
183.06711	2.2
193.05086	2.0
221.04532	2.6
309.45630	1.8
323.07733	26.3
324.07901	3.3
332.53619	1.7
342.59891	1.5
489.35693	4.4
503.15601	11.9
506.14368	5.4
507.15085	87.5
508.15286	11.7
598.46802	1.7
687.23059	11.3
687.35065	2.4
688.22888	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	687.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	7.6
66.27813	4.2
76.49120	4.7
78.95882	5.0
87.31976	4.6
153.83057	4.2
189.76381	4.3
273.07019	4.7
302.06113	5.1
303.09305	17.3
419.12225	53.3
687.24377	100.0
688.24628	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	687.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74514	0.9
59.28484	0.8
85.82946	0.9
95.01382	2.0
95.05061	1.1
107.05029	1.5
109.02956	3.1
109.06580	1.6
111.04533	14.0
113.09745	2.5
121.06608	1.0
123.00881	1.0
123.04536	3.0
123.08189	1.7
137.02412	1.0
139.04082	1.3
147.04494	1.4
149.06067	3.9
151.04007	5.4
151.07657	8.9
153.05603	1.2
163.07651	1.4
165.05553	10.6
165.09265	5.1
166.05989	1.2
167.07141	2.9
177.01987	1.8
177.05554	2.2
179.07178	7.5
181.08719	11.7
189.05605	1.5
191.03529	2.3
191.07216	1.3
191.10849	1.0
193.05092	7.7
193.08675	1.4
195.06648	29.3
203.07166	4.6
205.05060	2.8
207.06624	9.3
209.08209	19.2
210.08321	1.1
219.10242	1.5
221.08205	34.6
222.08499	1.7
229.02751	41.2
229.04945	1.7
230.03093	1.4
231.10260	1.3
233.08096	1.5
235.09819	2.0
241.02740	12.3
242.02943	1.5
243.04268	4.7
243.06462	1.7
247.06111	5.2
247.09770	2.6
249.11269	2.8
259.09741	4.4
261.07666	6.6
262.07956	1.4
275.09320	1.1
283.07431	1.4
301.10709	1.0
303.08743	4.2
309.55554	1.1
313.14413	1.2
353.14096	1.2
369.13330	1.5
371.14978	4.1
387.14374	1.6
397.12939	2.4
415.14011	100.0
416.14322	13.3
425.19653	1.6
429.19333	7.2
431.20721	12.7
432.21164	1.6
441.19116	1.8
451.11667	12.9
452.11963	3.3
465.16864	13.3
466.17178	2.1
469.18710	21.8
470.18777	4.4
549.96893	0.9
651.27875	5.9
652.28235	1.7
687.25024	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.7
57.03448	2.5
59.01388	8.5
61.98835	7.1
67.01884	1.0
68.99829	5.0
69.03456	1.8
69.85501	0.7
71.01387	16.5
71.01756	1.5
71.27612	1.2
72.99332	1.6
73.02946	3.5
73.75680	0.7
80.02663	1.5
81.03445	1.8
81.90391	0.9
83.01389	1.8
83.05046	7.8
84.02168	1.5
85.02977	3.4
87.00893	1.6
88.41170	0.8
89.02473	3.5
89.46955	0.7
93.03461	1.1
95.01398	0.9
95.05042	1.1
97.02976	1.7
97.06614	1.8
99.00904	1.0
101.02449	6.0
108.02199	4.0
109.02974	4.8
109.06596	1.5
110.03767	2.0
111.00851	0.9
111.04543	7.5
111.08173	1.7
113.02466	4.2
119.03517	1.2
121.02988	1.4
123.00913	1.0
123.04566	2.6
123.08199	1.7
125.02522	1.5
125.09731	4.5
127.11333	1.2
135.04597	1.4
135.08194	1.7
136.01628	1.1
137.02466	0.7
138.57938	0.8
145.05092	1.0
149.02457	1.3
151.11313	2.6
153.01929	1.6
153.09233	1.0
161.04578	2.8
161.09749	3.4
163.07683	0.8
163.11320	5.4
164.04837	1.0
165.12860	3.0
171.10284	44.0
172.10623	2.0
177.09282	2.2
179.10803	6.3
181.12354	1.4
185.11856	1.7
187.09938	1.1
191.10817	1.8
195.10269	2.2
197.11847	5.9
198.12247	1.9
199.09752	2.4
199.11433	0.8
201.11369	1.3
205.08701	9.9
207.10306	3.3
209.11847	100.0
210.12180	8.3
213.11275	4.1
219.06763	0.9
223.09784	26.6
224.10132	1.7
225.11325	2.5
227.12883	13.9
228.13287	0.9
235.08250	4.6
241.10847	3.4
253.09338	9.1
261.11447	0.9
297.97522	2.6
298.01117	0.9
312.10205	0.9
312.99820	3.6
314.00131	0.9
327.12433	2.7
328.02200	4.2
329.02682	1.0
343.04596	7.7
344.05136	1.4
357.26785	1.1
359.15067	5.1
373.26392	1.0
379.89542	0.9
389.87790	1.0
397.20441	1.0
407.19156	1.2
415.21164	1.3
433.21912	0.9
441.17780	0.9
445.20959	1.0
459.18860	5.0
461.20746	0.9
477.19788	1.3
487.34052	1.0
489.36035	8.6
490.36237	1.0
532.45972	0.8
542.58228	0.8
643.29596	1.4
651.30139	3.0
651.39722	24.8
652.39941	3.6
669.31097	5.9
670.30389	0.9
687.31781	14.3
688.32837	2.8
695.65094	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28832	2.1
57.72710	2.1
59.01383	20.6
61.98833	30.3
68.99815	4.9
69.03455	2.4
71.01387	25.3
72.99291	2.6
73.02943	5.9
78.95891	1.9
80.73640	1.9
81.03473	2.7
83.05019	6.3
85.02938	8.6
87.00895	4.4
89.02425	12.2
93.03487	2.0
95.01363	3.4
95.04999	2.5
97.02970	4.3
97.06574	2.9
98.21739	5.1
99.00916	2.1
101.02462	14.3
108.02193	18.8
109.02943	6.1
109.06581	5.4
111.00897	2.9
111.04502	4.9
113.02428	8.0
119.03535	3.5
122.03767	2.6
123.00934	2.2
123.04562	14.0
124.29455	1.8
125.02454	10.9
125.09688	5.7
135.04504	3.2
135.08122	2.0
136.01732	2.6
137.02472	4.7
137.09645	1.9
139.04091	2.4
141.37086	1.8
147.78687	2.1
151.04027	5.6
153.09207	3.5
161.04501	3.3
161.09753	3.2
163.04004	3.6
163.11232	6.3
164.04747	4.4
169.01453	7.7
169.12343	2.7
171.10283	47.1
177.05518	3.3
179.05592	4.1
179.07111	4.5
179.10788	7.8
185.11845	5.2
189.05614	2.3
191.07239	3.1
193.05072	3.7
197.11833	2.9
199.09740	2.3
201.11302	4.7
203.07111	2.3
205.08781	11.3
207.10272	11.8
209.11852	100.0
210.12167	7.1
213.05598	2.1
213.11336	4.9
217.05060	3.4
219.06636	6.6
223.09753	25.3
224.10109	2.1
225.11276	11.9
227.12877	14.1
228.89688	2.5
235.06047	9.2
235.08208	4.6
241.10757	2.8
253.09312	10.1
271.09933	2.7
275.87360	2.4
301.20197	7.0
341.10214	2.6
343.11801	2.8
355.24957	4.3
359.11298	14.1
373.26028	41.8
387.22949	2.8
407.19403	4.1
459.18829	4.6
471.33188	2.6
489.34055	6.3
651.30286	3.8
651.39618	62.2
652.39551	11.2
669.31128	6.8
687.22144	7.7
687.31207	18.1
688.22736	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	687.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05840	0.7
57.03437	1.5
58.33922	0.7
59.01383	7.9
61.98828	6.5
69.03450	4.2
71.01398	7.4
71.05022	2.0
71.49509	0.7
73.02957	1.5
74.36279	0.9
80.02679	0.9
81.03458	1.0
83.01388	1.7
83.05034	5.7
85.02939	1.3
87.00889	1.2
89.02444	3.6
95.01407	1.2
95.05055	1.6
97.02935	1.2
98.21709	1.2
101.02432	5.3
108.02166	1.7
109.02977	1.9
113.02450	2.8
121.03031	0.9
123.04540	2.5
123.08171	1.8
125.02423	1.2
125.09753	3.0
136.01608	1.2
137.02466	1.7
139.03987	1.2
151.04034	2.9
151.11273	1.8
153.12921	1.7
161.02359	1.2
161.04535	1.5
161.09682	4.3
163.11304	4.4
164.04874	1.0
165.01869	1.0
165.12830	2.2
167.03627	1.1
171.10277	1.5
179.10797	8.5
183.10268	2.1
191.10771	1.3
197.11850	52.5
198.12228	3.5
207.10217	1.5
209.11847	57.4
210.12149	5.1
223.09747	1.8
225.11374	1.5
227.12926	5.3
231.02798	0.8
235.08282	1.1
241.10893	3.3
253.09311	3.7
289.06903	1.1
329.13931	1.7
343.15411	1.3
346.13623	0.9
359.15085	1.5
418.53992	0.9
449.28653	0.9
459.18695	1.4
477.20004	2.7
487.34683	3.7
489.36154	2.5
503.19415	1.3
669.30164	1.2
687.32269	100.0
688.32532	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	687.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61515	1.2
57.03439	1.9
59.01359	5.0
60.71413	1.1
61.98832	18.7
69.64581	2.5
69.64970	2.0
71.01357	4.6
71.04983	1.5
73.02905	2.0
81.03434	3.8
81.38803	1.2
83.01373	2.2
85.02930	4.4
87.00875	1.7
87.04509	1.9
89.02443	2.2
93.03436	3.5
95.01398	2.0
96.32780	0.9
96.95997	1.6
97.02971	1.3
101.02428	2.5
107.01367	3.6
107.61237	1.1
108.02178	53.0
109.02963	33.7
111.63033	1.2
113.02454	1.9
116.92857	2.7
121.02922	4.5
123.00848	2.8
123.04503	7.6
125.02460	11.6
135.04474	2.1
137.02428	3.6
139.03989	3.1
140.04277	1.5
148.05313	2.0
149.02385	3.6
150.06868	5.6
151.00359	6.8
151.03951	2.3
152.01161	52.9
153.01965	20.9
153.05550	2.4
155.10800	1.2
161.02448	2.0
163.03995	2.6
163.07626	2.6
164.04695	4.1
165.01938	3.1
165.05446	1.4
167.03516	1.3
169.01427	11.0
177.05484	1.9
178.99873	2.4
179.07104	1.6
179.10757	4.1
181.05009	1.2
185.11887	3.2
193.01476	1.2
195.06625	7.0
243.16080	2.3
255.02901	3.3
271.02548	5.7
283.09586	1.4
285.11215	1.3
300.02725	8.5
301.00098	1.7
301.03525	21.5
302.03867	1.3
310.08569	2.0
323.12073	1.1
325.10916	7.6
326.11124	1.9
327.12198	1.7
345.13632	1.3
367.10480	1.8
371.24249	3.5
389.25436	20.5
390.25690	2.9
479.33691	1.7
480.17917	1.3
487.30228	1.9
489.31906	2.1
507.18839	1.9
525.20923	2.1
525.34052	3.9
687.20966	6.3
687.31665	100.0
688.21301	1.8
688.32043	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00536	0.6
59.01331	0.5
69.04131	2.3
69.04530	0.6
71.01329	0.6
73.02863	2.7
79.09947	0.3
79.52197	0.3
85.02909	0.4
98.22543	0.6
105.64331	0.2
108.02101	0.8
109.02892	0.7
116.92782	0.4
121.02886	0.3
125.02435	0.2
129.84016	0.3
145.31236	0.2
149.02417	0.3
152.01122	0.6
153.01862	0.4
160.27849	0.3
160.77286	0.3
161.02403	0.3
164.04692	0.5
168.53589	0.2
169.01314	0.5
175.30948	0.3
179.06982	0.4
197.02116	1.1
258.66537	0.3
283.09845	0.4
372.64981	0.3
377.28485	0.4
383.29492	0.8
384.29761	0.5
385.31104	1.6
413.30338	0.4
415.32233	2.3
416.32367	0.4
489.32251	100.0
490.32623	17.1
687.35016	10.4
688.35626	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	687.353
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00521	0.9
59.01324	0.4
59.01570	0.3
61.98745	1.1
61.99079	0.6
62.35045	0.3
71.01299	0.9
71.01643	0.3
73.02858	6.5
73.03319	0.7
81.07645	0.2
85.02903	0.6
87.00787	0.3
89.45261	0.3
98.21793	0.5
108.02185	1.9
109.02972	1.6
123.04406	1.0
125.02380	0.5
148.05212	0.6
151.03941	0.4
152.01155	2.4
153.01825	0.6
154.96211	0.2
163.07573	0.4
167.03291	0.4
169.01317	0.9
172.13353	0.4
175.25168	0.3
178.02574	0.8
193.04955	1.0
197.02290	1.5
233.77690	0.3
268.75003	0.3
311.07574	0.4
357.27243	0.4
373.25940	0.3
375.27411	1.5
389.25162	0.8
407.29401	0.4
415.32147	0.8
445.33258	1.3
487.30606	3.2
488.31146	0.8
489.32211	100.0
490.32590	17.8
558.78918	0.3
562.09357	0.3
627.40033	0.8
687.34784	11.5
688.35120	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	687.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00595	0.8
58.55104	0.4
59.01384	2.2
61.98830	0.8
71.01375	1.4
73.02947	5.1
85.02965	0.9
89.02462	0.7
96.96004	0.8
101.02450	0.6
107.01421	0.8
108.02202	1.3
109.02983	1.1
113.02454	0.7
119.03469	0.8
121.02930	0.5
123.04599	0.5
125.02460	1.8
135.04538	0.7
137.02461	0.9
149.02504	0.8
151.04028	0.5
152.01129	1.2
153.01862	0.5
164.04813	1.5
165.05290	0.4
167.01952	0.5
169.01405	1.0
179.07181	1.3
183.02983	0.6
197.02226	2.0
199.40712	0.4
217.10820	0.6
228.78590	0.5
289.07285	0.8
299.99161	2.2
300.99991	2.5
327.12506	1.3
339.26837	0.6
396.48029	0.4
445.33493	1.4
489.32242	100.0
490.32608	15.9
687.14911	1.3
687.23877	0.7
687.34790	10.5
688.35315	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.0
59.01372	1.4
61.98840	8.7
69.23466	5.0
69.23873	1.7
71.01346	1.0
78.95868	1.4
79.55445	0.9
82.95417	2.5
83.05039	2.0
84.16912	1.1
85.02926	1.3
93.03481	7.3
99.92590	1.2
109.02950	1.6
111.04538	2.1
115.92083	2.0
121.02991	11.4
122.03716	4.4
123.04537	13.7
124.01646	1.6
125.09694	1.8
127.03987	1.1
133.02962	2.7
134.03722	2.0
135.04539	8.7
137.02443	9.8
139.03041	1.8
139.04021	17.4
148.01672	4.6
149.02455	71.7
150.02776	2.6
151.04034	2.3
161.02402	5.3
164.04805	4.3
165.05539	1.9
165.41449	1.1
167.03513	3.3
171.02858	1.1
171.10242	3.0
179.07095	3.1
181.08789	1.9
183.06668	1.9
196.65616	1.1
197.04704	1.1
207.06700	1.4
209.11836	5.3
225.07722	1.7
239.09370	1.5
253.09293	1.3
394.17706	1.2
449.25333	2.2
453.33823	2.8
469.33197	1.4
471.34772	4.6
477.18665	1.2
575.37360	2.0
577.39130	8.2
615.43384	2.3
621.38049	63.0
622.38281	14.6
631.36469	3.2
633.37634	1.2
649.37616	5.3
651.39075	100.0
652.39337	23.0
669.30713	2.2
687.32562	4.0
687.45685	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	687.389
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32317	1.1
56.81952	1.1
57.03435	2.7
59.01380	9.5
61.04450	1.0
61.98835	29.7
68.80568	1.1
68.99835	1.7
69.04581	5.1
69.05003	5.7
71.01375	9.5
73.02946	4.0
81.03453	3.6
82.05374	1.1
83.01391	3.9
83.05032	1.9
85.02943	2.5
89.02445	3.2
93.03464	1.9
95.01411	2.4
95.05086	1.5
97.02954	1.7
101.02449	4.4
108.02197	13.6
109.02969	5.6
109.06606	2.0
111.04538	2.1
113.02451	3.4
119.03516	1.2
121.02956	4.5
123.00893	2.1
123.04536	16.6
124.01727	1.4
125.02481	7.8
134.03796	3.0
135.04547	6.8
137.02477	10.2
137.06061	2.1
137.67245	1.3
138.03156	1.7
139.00398	2.4
139.04041	2.5
148.05344	9.9
149.02467	5.4
149.06075	2.4
151.04030	5.9
161.02480	2.7
161.04597	3.1
161.06107	1.7
161.09763	1.6
162.03297	2.0
163.04027	5.1
163.07683	7.6
163.11337	2.4
164.04802	4.7
165.01958	3.4
165.05574	1.8
167.03497	19.2
169.01428	3.2
171.10251	10.3
177.05556	4.1
179.03508	5.1
179.07242	2.3
179.10809	2.1
181.05287	1.3
181.08783	2.0
183.10316	3.6
187.03993	1.8
191.03563	6.4
191.07169	1.5
195.06651	8.2
197.02211	4.2
197.11810	7.1
205.05070	2.8
205.08762	1.3
207.10205	3.1
209.11839	20.0
215.07190	1.8
219.06618	5.1
221.08244	1.4
223.09787	2.5
225.11328	5.5
227.12938	4.0
235.06042	1.4
235.13989	1.5
241.10722	1.6
245.08289	3.0
268.07315	1.6
271.06339	1.3
289.07147	5.6
297.08026	1.7
297.11450	5.1
301.07193	2.0
327.12350	2.3
343.11905	6.1
359.11218	9.1
359.15192	7.1
373.25989	3.9
439.98734	1.5
451.12338	5.7
487.34399	10.3
488.34592	2.4
489.36038	100.0
490.36276	18.9
525.24280	1.6
651.29407	1.6
651.39264	1.6
655.23596	1.4
687.40186	43.3
688.38623	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	687.389
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32317	1.1
56.81952	1.1
57.03435	2.7
59.01380	9.5
61.04450	1.0
61.98835	29.7
68.80568	1.1
68.99835	1.7
69.04581	5.1
69.05003	5.7
71.01375	9.5
73.02946	4.0
81.03453	3.6
82.05374	1.1
83.01391	3.9
83.05032	1.9
85.02943	2.5
89.02445	3.2
93.03464	1.9
95.01411	2.4
95.05086	1.5
97.02954	1.7
101.02449	4.4
108.02197	13.6
109.02969	5.6
109.06606	2.0
111.04538	2.1
113.02451	3.4
119.03516	1.2
121.02956	4.5
123.00893	2.1
123.04536	16.6
124.01727	1.4
125.02481	7.8
134.03796	3.0
135.04547	6.8
137.02477	10.2
137.06061	2.1
137.67245	1.3
138.03156	1.7
139.00398	2.4
139.04041	2.5
148.05344	9.9
149.02467	5.4
149.06075	2.4
151.04030	5.9
161.02480	2.7
161.04597	3.1
161.06107	1.7
161.09763	1.6
162.03297	2.0
163.04027	5.1
163.07683	7.6
163.11337	2.4
164.04802	4.7
165.01958	3.4
165.05574	1.8
167.03497	19.2
169.01428	3.2
171.10251	10.3
177.05556	4.1
179.03508	5.1
179.07242	2.3
179.10809	2.1
181.05287	1.3
181.08783	2.0
183.10316	3.6
187.03993	1.8
191.03563	6.4
191.07169	1.5
195.06651	8.2
197.02211	4.2
197.11810	7.1
205.05070	2.8
205.08762	1.3
207.10205	3.1
209.11839	20.0
215.07190	1.8
219.06618	5.1
221.08244	1.4
223.09787	2.5
225.11328	5.5
227.12938	4.0
235.06042	1.4
235.13989	1.5
241.10722	1.6
245.08289	3.0
268.07315	1.6
271.06339	1.3
289.07147	5.6
297.08026	1.7
297.11450	5.1
301.07193	2.0
327.12350	2.3
343.11905	6.1
359.11218	9.1
359.15192	7.1
373.25989	3.9
439.98734	1.5
451.12338	5.7
487.34399	10.3
488.34592	2.4
489.36038	100.0
490.36276	18.9
525.24280	1.6
651.29407	1.6
651.39264	1.6
655.23596	1.4
687.40186	43.3
688.38623	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	687.3966
Annotation	CHEBI:69613
Peak:m/z	Relative Intensity
58.93658	1.3
59.01391	2.5
61.98801	2.7
69.10301	1.4
71.01385	2.1
71.29601	2.0
85.02953	3.2
91.01940	2.8
95.01366	1.4
96.96054	1.8
107.01403	3.3
109.02976	3.0
109.18990	1.2
111.00892	1.9
113.02409	1.4
116.92870	9.9
118.05858	1.1
118.36078	1.1
121.03025	1.7
123.00921	4.3
123.04565	3.8
125.02456	12.4
137.02463	3.8
139.00423	2.3
139.04079	2.7
149.02464	1.6
149.06148	4.4
150.03351	3.0
150.06877	41.2
150.08051	2.3
151.00404	3.1
151.04063	1.8
151.07329	1.7
153.01982	3.9
161.02396	1.7
163.07625	9.0
164.08435	8.3
165.05615	2.2
167.03520	5.0
168.00697	2.9
168.82870	1.4
169.01459	14.5
169.05121	3.5
178.10007	3.9
179.10789	20.0
179.12212	1.8
181.05095	2.0
183.10287	4.3
209.04474	1.5
271.09787	1.8
301.03473	1.5
303.20029	1.3
329.03384	1.3
345.23120	4.0
373.25696	2.3
464.31708	5.0
465.32529	1.5
479.33755	8.5
489.36005	1.6
507.33545	3.1
524.33441	2.4
525.34406	24.7
526.34967	4.8
687.22986	17.0
687.39923	100.0
688.23669	2.4
688.40314	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	689.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.9
59.01368	1.6
61.98820	3.2
66.88032	0.7
69.03447	1.4
71.01379	3.1
71.05044	1.3
79.01905	1.7
81.03458	1.1
81.99670	0.8
83.01398	1.1
83.05021	0.9
85.19649	0.8
90.25218	0.9
93.36086	0.8
95.01430	1.9
95.05039	3.7
97.02970	2.9
101.02432	1.5
107.01395	6.2
108.02186	1.5
109.02957	1.2
111.00877	1.3
113.02454	1.7
121.02944	0.9
123.00874	4.5
123.04479	1.0
123.08171	2.3
124.01609	0.9
125.02457	60.5
125.06081	2.8
126.02827	2.1
135.04543	1.2
137.02470	1.0
137.09746	1.9
139.00388	2.6
139.04025	10.2
140.01198	2.1
143.03484	2.0
149.02437	0.8
149.06032	1.0
151.00352	3.6
151.03949	0.9
153.01903	1.1
165.01930	1.8
168.00641	2.8
169.01439	70.2
170.01775	2.3
171.10294	1.5
179.03532	1.4
179.10797	21.9
180.11095	1.0
181.04947	1.1
191.03384	0.9
193.01457	1.2
193.05080	1.0
201.11426	1.0
209.11847	3.7
211.02486	2.5
211.13489	1.3
223.09770	50.0
224.10112	3.5
225.11282	1.0
227.12868	1.3
247.09956	0.8
265.10602	0.9
271.04636	0.9
295.04776	2.0
313.05664	19.3
314.06033	1.2
357.26624	1.0
375.27481	1.0
395.20117	0.8
465.06796	9.4
466.06903	1.1
485.32745	1.8
495.22375	1.3
537.16095	3.5
647.38629	3.9
651.40924	1.2
689.17224	100.0
690.07349	0.9
690.17529	21.7
690.28406	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84000	0.5
51.05469	0.4
55.41409	0.4
59.01369	0.9
61.54786	0.5
61.98817	0.6
63.98811	0.4
67.01878	0.8
69.03463	1.5
71.01392	2.6
71.05015	1.8
73.02952	0.8
77.13763	0.4
79.01906	1.5
81.03456	1.5
83.01377	0.5
85.02960	1.0
86.24799	0.4
87.00842	0.6
88.98837	0.7
91.53085	0.4
93.03464	0.7
94.77775	0.4
95.01412	2.5
95.05031	2.0
96.59905	0.4
97.02959	4.3
98.14205	0.5
98.21711	0.7
99.00881	0.8
101.02433	1.3
107.01397	10.9
108.02176	0.5
109.02964	1.5
111.00898	1.6
113.02464	1.1
116.92919	0.5
119.69791	0.5
121.02990	1.6
123.00898	6.8
123.04517	1.1
123.08179	1.0
124.01653	2.0
125.02456	83.5
125.06085	3.9
126.02791	3.2
127.00381	0.7
135.04556	0.6
136.98842	0.6
137.02470	2.4
137.09706	0.6
138.03232	0.6
139.00360	2.9
139.04021	9.7
140.01154	2.8
141.01939	0.6
143.03511	2.8
149.02472	0.7
149.06100	0.6
151.00357	4.4
151.04074	0.5
152.01120	1.0
153.01889	1.0
161.02454	0.5
163.04031	1.3
163.07640	0.5
165.01941	1.5
165.05548	0.5
165.09222	0.6
166.99849	1.7
167.03528	1.4
168.00641	4.8
169.01436	100.0
170.01775	4.1
175.03981	0.7
177.01909	0.7
177.09209	0.7
179.03481	0.8
179.10793	9.1
180.11043	0.7
181.01363	0.7
181.05095	1.1
181.08734	0.5
183.03011	0.5
187.04063	0.6
190.02644	0.8
192.55560	0.5
193.01424	2.2
193.05084	0.9
205.08688	0.7
207.03043	0.7
209.00838	0.8
209.11862	0.6
211.02455	3.9
221.04634	0.8
223.09773	25.0
224.10136	2.0
225.11333	0.8
235.02425	1.0
237.04091	0.9
241.03613	0.7
253.03525	1.1
265.10889	0.9
271.04648	2.0
274.30103	0.6
295.04645	3.9
300.02744	0.9
301.03592	4.2
313.05649	25.2
314.06024	2.3
315.62869	0.5
361.16721	0.6
405.04974	0.9
423.05533	2.3
465.06744	43.8
466.07043	5.2
483.07996	3.1
485.13647	0.5
485.35083	0.6
489.35565	0.8
499.84308	0.6
503.18698	0.6
527.26636	2.4
537.16144	5.3
538.16449	0.6
600.42419	0.6
605.11621	1.6
645.18707	1.3
671.16510	1.6
688.39624	1.2
689.17200	80.0
690.17584	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	689.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.4
61.98834	2.5
63.02374	1.8
65.00308	3.4
68.99959	13.1
69.00359	4.1
69.03440	2.7
71.01366	6.5
71.05031	2.5
73.02950	2.0
73.16783	1.7
83.01411	2.0
88.98833	2.3
95.01376	2.7
95.05049	2.3
97.02965	2.7
100.17023	1.6
101.02431	3.4
107.01410	14.8
108.02178	7.9
109.02953	5.6
109.25282	1.9
111.00899	2.2
121.02938	4.7
123.00884	6.2
123.04469	2.2
124.01633	2.7
125.02460	89.2
125.06088	3.5
126.02778	2.1
135.04536	1.6
137.02414	2.7
138.70715	1.9
139.00418	1.6
139.04036	15.6
140.01155	2.8
140.04417	2.6
143.03442	2.8
149.02528	2.1
151.00377	24.5
151.03987	1.9
152.01141	4.4
153.01874	2.1
164.04794	4.1
165.01924	1.6
167.03471	1.9
168.00610	5.3
169.01433	100.0
170.01808	4.4
171.10243	3.4
178.99860	6.9
179.07207	2.4
179.10754	9.0
209.11856	8.5
211.02415	3.7
212.88440	1.7
223.09776	26.9
225.11339	2.9
227.12822	2.2
229.05132	2.0
237.07436	1.9
243.03032	3.1
255.02956	7.8
271.02420	10.3
272.02924	2.3
295.04556	4.7
300.02789	15.1
301.03552	75.9
302.03839	5.6
313.05704	25.6
315.07101	2.9
375.27383	2.1
387.16635	2.6
390.20615	1.6
390.26172	2.4
407.12790	2.2
423.05692	2.6
453.10172	3.0
465.06760	44.0
466.06955	5.3
483.81201	1.9
489.36240	2.2
499.55307	1.8
537.15851	4.7
595.95764	2.0
605.11487	8.3
606.11798	2.8
689.17316	95.3
690.17651	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	689.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.0
59.01372	2.2
61.49149	0.6
61.98829	2.9
68.99876	6.5
69.03439	1.9
71.01373	2.6
72.99297	0.9
73.02947	1.2
79.01870	1.7
81.03473	1.4
83.01397	1.2
85.02958	2.0
85.06580	2.4
89.02468	0.7
90.69200	0.6
95.01384	2.3
97.02968	4.5
101.02448	1.9
107.01398	9.5
109.02935	2.2
109.06596	1.6
111.00900	2.8
111.04527	4.3
113.02464	1.2
123.00887	8.2
123.04554	1.2
123.08167	2.6
124.01686	3.6
125.02452	85.9
126.02805	2.2
135.04556	1.2
136.98788	1.8
137.02443	3.1
139.00366	3.8
139.03961	1.3
140.01231	3.5
141.01971	1.1
143.03508	3.7
143.04486	0.7
145.02948	1.1
149.02463	1.2
151.00372	4.1
153.02014	0.8
153.05573	10.4
155.10782	1.8
161.02542	1.2
162.03067	0.7
162.46803	0.6
163.03992	1.2
165.01953	2.0
166.99852	2.5
167.03502	1.5
168.00642	6.6
169.01431	100.0
170.01755	3.9
171.10269	2.5
177.05518	1.2
177.09164	0.6
179.03603	1.6
179.10777	9.5
181.01366	0.7
191.03581	1.0
193.01453	1.9
193.05125	1.0
201.11205	0.7
203.07080	1.1
205.05074	1.2
205.08705	1.7
207.03082	1.1
209.11867	4.2
211.02473	3.5
212.80496	0.6
221.04446	1.1
223.09775	25.1
224.10049	1.4
225.11310	1.5
227.12888	0.6
237.03986	1.7
253.03607	1.5
295.04562	3.9
301.07382	0.8
313.05652	27.6
314.06052	2.6
423.05719	1.1
465.06738	33.6
466.07184	3.9
483.07730	2.0
537.16193	6.5
538.16559	1.4
619.13470	1.1
658.23663	0.7
659.27216	2.3
671.16071	1.8
671.27209	1.3
689.17291	88.3
689.30853	5.2
690.17651	20.0
690.30304	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.1
67.01882	1.5
71.01377	2.5
71.28768	0.9
72.99299	0.8
73.02917	0.8
79.01917	0.7
81.03479	0.8
83.01392	1.1
85.02950	0.8
93.03504	1.0
95.01379	1.9
101.02424	1.6
107.01407	7.5
107.04948	0.7
108.02209	0.8
109.02938	1.2
110.26145	0.6
111.00877	3.4
113.02458	1.6
115.94164	0.7
121.02949	2.1
123.00903	11.4
123.04546	1.5
124.01697	3.7
125.02460	42.3
126.02774	1.2
127.00385	1.1
135.04494	0.7
136.98819	1.7
137.02444	2.2
139.00395	4.9
139.04005	1.9
140.01152	6.2
141.01927	1.3
147.04396	0.7
149.02469	2.2
150.03287	2.3
151.00404	6.2
152.01143	0.7
153.01942	1.4
161.02391	1.0
163.04057	0.9
165.05643	3.4
165.06825	0.9
166.06346	2.4
166.99818	1.3
167.03514	4.6
168.00682	10.1
169.01442	45.6
170.01736	1.0
179.03488	0.9
181.05086	0.7
181.08745	1.6
183.03011	7.1
193.01448	1.2
195.06677	0.8
211.02554	6.0
225.03844	0.8
234.83121	0.7
257.50171	0.7
271.04544	3.2
273.13596	0.7
286.39151	0.8
296.05399	0.9
297.06146	1.1
311.07773	7.3
313.05716	5.1
327.07098	3.9
329.14011	0.9
376.11676	0.9
425.90823	0.8
507.14899	1.3
519.18695	2.5
537.19879	6.1
689.20923	100.0
690.21356	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03896	1.1
52.48151	0.9
54.63054	1.3
56.74978	0.9
57.03442	1.2
58.70805	1.2
59.01378	2.0
60.11091	0.9
60.23006	1.0
66.45592	1.0
67.01868	1.3
69.03458	1.1
71.01383	6.0
71.28873	1.4
79.01928	1.9
95.01390	2.1
96.96016	4.1
97.02953	2.4
107.01386	14.9
109.02965	4.6
111.00924	5.2
113.02438	2.5
120.47565	1.1
121.02958	1.7
123.00890	15.3
123.04607	1.8
124.01654	2.0
125.02463	87.4
126.02818	3.3
136.01680	8.6
136.98817	1.1
137.02475	5.2
139.00385	5.8
139.04053	3.2
140.01140	5.7
141.01999	1.5
145.55516	1.0
147.04539	1.2
149.02470	2.0
151.00366	9.9
151.04022	11.0
153.01979	1.8
159.04570	1.8
160.05347	3.1
161.02400	1.4
163.04076	1.0
165.01958	2.0
166.02599	1.4
167.03534	4.7
168.00656	11.3
169.01447	86.1
170.01851	3.3
175.04037	1.9
177.01997	3.5
179.03566	1.1
183.03036	4.1
193.05168	1.3
211.02505	31.0
212.02721	1.4
228.17735	1.3
267.06570	5.6
271.04608	52.6
272.04929	2.6
275.02060	1.1
282.09103	5.1
283.09467	2.0
289.07263	3.0
297.11362	7.1
301.00021	2.1
310.73206	1.1
313.05688	24.9
314.06012	1.4
327.07312	2.4
331.06705	13.5
358.97415	1.2
465.10403	2.8
659.19922	10.5
660.20508	1.6
671.19751	1.9
689.20911	100.0
690.21246	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	689.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03896	1.1
52.48151	0.9
54.63054	1.3
56.74978	0.9
57.03442	1.2
58.70805	1.2
59.01378	2.0
60.11091	0.9
60.23006	1.0
66.45592	1.0
67.01868	1.3
69.03458	1.1
71.01383	6.0
71.28873	1.4
79.01928	1.9
95.01390	2.1
96.96016	4.1
97.02953	2.4
107.01386	14.9
109.02965	4.6
111.00924	5.2
113.02438	2.5
120.47565	1.1
121.02958	1.7
123.00890	15.3
123.04607	1.8
124.01654	2.0
125.02463	87.4
126.02818	3.3
136.01680	8.6
136.98817	1.1
137.02475	5.2
139.00385	5.8
139.04053	3.2
140.01140	5.7
141.01999	1.5
145.55516	1.0
147.04539	1.2
149.02470	2.0
151.00366	9.9
151.04022	11.0
153.01979	1.8
159.04570	1.8
160.05347	3.1
161.02400	1.4
163.04076	1.0
165.01958	2.0
166.02599	1.4
167.03534	4.7
168.00656	11.3
169.01447	86.1
170.01851	3.3
175.04037	1.9
177.01997	3.5
179.03566	1.1
183.03036	4.1
193.05168	1.3
211.02505	31.0
212.02721	1.4
228.17735	1.3
267.06570	5.6
271.04608	52.6
272.04929	2.6
275.02060	1.1
282.09103	5.1
283.09467	2.0
289.07263	3.0
297.11362	7.1
301.00021	2.1
310.73206	1.1
313.05688	24.9
314.06012	1.4
327.07312	2.4
331.06705	13.5
358.97415	1.2
465.10403	2.8
659.19922	10.5
660.20508	1.6
671.19751	1.9
689.20911	100.0
690.21246	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	689.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.0
63.96248	0.7
67.56964	0.5
69.23096	1.8
69.23505	2.3
70.22709	0.6
71.01364	1.0
72.99272	0.7
74.99114	1.1
79.05539	1.9
79.90014	0.5
81.03465	6.9
87.00890	0.8
87.04533	4.9
93.03461	0.9
97.02960	1.4
109.02958	4.1
121.02990	1.4
121.03880	0.6
123.04536	100.0
124.04834	4.0
125.02451	6.6
125.09738	6.0
128.16870	0.5
132.24281	0.5
135.04517	1.1
135.98409	3.4
137.02457	4.9
137.06129	0.7
139.04022	0.8
147.04523	3.1
149.02460	2.0
149.09749	4.8
150.03149	1.0
151.04036	2.2
161.02441	1.6
161.06149	1.2
164.01125	1.2
165.01891	1.4
165.05545	0.9
166.82837	0.6
167.07150	0.9
169.01428	0.8
175.04028	0.8
177.01964	0.9
177.05602	0.7
179.03448	0.8
189.05623	2.2
193.08717	51.8
194.09024	3.2
201.05569	1.1
203.03648	0.6
203.07190	1.9
205.05069	0.9
207.06653	1.4
209.08421	0.6
217.08772	2.4
237.07748	1.2
245.08249	1.6
259.06134	1.5
287.05655	1.6
289.07211	16.7
290.07599	1.0
355.14005	8.0
356.14417	1.0
480.82687	0.7
537.14240	0.9
689.20557	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25988	0.6
59.01387	1.5
67.01905	1.2
67.48294	0.6
68.99815	0.6
69.03461	0.8
71.01390	1.7
71.99244	0.6
75.00849	0.9
75.60207	0.7
76.46343	0.6
79.01917	0.8
81.88352	0.6
83.01385	1.1
84.48527	0.6
85.02945	1.2
87.00869	1.0
95.01396	2.4
97.02985	1.3
99.00908	0.8
101.02460	0.8
107.01408	8.4
110.00119	0.9
111.00890	3.5
113.02431	0.8
122.03795	0.6
123.00890	11.4
123.04539	0.9
124.01707	3.6
125.02455	39.1
126.02793	0.8
127.00394	0.8
133.02951	0.6
136.98808	1.6
137.02483	1.0
139.00372	6.2
139.04033	2.5
139.05200	0.6
140.01144	4.3
141.01912	1.1
149.02438	0.9
150.03230	1.7
151.00371	6.5
153.01939	0.9
153.69145	0.6
161.02515	0.8
165.01944	1.4
165.05579	2.2
166.06340	1.9
166.99866	2.1
167.03558	3.0
167.04787	0.6
168.00661	10.3
169.01439	50.2
170.01794	1.9
175.03981	0.6
179.03412	1.0
183.03000	8.8
191.03528	0.7
193.01411	1.5
195.02991	0.7
211.02478	5.7
216.87544	0.6
220.38853	0.7
220.47472	0.6
229.32651	0.6
271.04648	2.5
297.06250	0.9
311.07785	5.5
313.05688	3.4
327.07169	3.1
341.08865	1.0
366.88397	0.7
465.06308	0.9
491.12036	1.0
507.15237	1.4
519.18677	2.2
537.19781	5.4
538.20679	0.9
689.20868	100.0
690.21204	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.4
58.00637	0.9
59.01376	3.7
61.98840	8.1
67.01886	1.4
69.03458	1.4
71.01394	7.4
71.05019	2.0
71.28336	1.8
72.99316	1.3
81.03463	1.3
83.01388	1.2
83.05039	1.6
85.02953	3.2
87.00891	1.1
89.02460	2.3
89.44676	0.9
95.01393	3.1
95.05053	1.8
97.02967	2.1
99.00893	2.4
101.02459	3.3
101.85010	1.0
107.01399	8.9
108.02186	4.1
109.02979	1.2
111.00905	3.4
111.04523	1.6
113.02469	2.3
115.92129	0.8
121.02973	1.6
123.00896	12.6
123.04568	2.8
124.01709	1.8
124.21973	0.8
125.02460	44.3
125.09727	1.5
127.00382	1.4
127.71159	0.8
134.03769	0.9
135.04553	1.3
136.98837	2.4
137.02451	1.8
139.00389	3.5
139.04019	2.3
140.01154	3.8
141.01918	1.5
149.02472	6.3
149.06108	1.5
151.00401	7.2
151.03958	1.6
152.00877	0.9
161.04559	1.1
163.04053	1.8
164.04778	3.9
167.03500	1.1
168.00650	5.4
169.01443	47.2
170.01791	1.4
171.10287	3.1
177.05634	1.6
179.03520	1.7
179.07143	1.8
181.01422	1.3
182.16963	0.9
185.05356	0.9
193.05029	0.9
195.06604	1.3
201.11461	1.3
207.10336	1.9
209.08417	1.1
209.11861	18.3
210.12289	0.9
211.13432	14.7
212.13885	1.4
217.69809	0.9
219.06644	3.7
225.11362	2.9
227.12885	3.1
253.09329	2.5
261.48639	1.0
291.19693	5.2
313.05661	4.7
327.12466	2.1
329.14029	1.0
344.11929	1.3
370.99747	0.9
375.27917	1.8
397.13892	1.6
415.14783	1.3
519.22577	2.0
537.23474	19.6
538.23657	4.4
623.36078	2.7
653.37054	6.2
654.37457	1.6
689.24524	100.0
690.24774	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	689.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.5
55.24818	0.8
57.03439	1.1
59.01377	2.9
59.71167	0.9
61.98807	1.5
65.71379	0.8
66.51371	0.9
71.01392	10.4
71.28225	0.7
71.28652	1.2
73.02949	1.5
83.01406	2.1
85.02955	3.4
89.02429	1.0
93.02884	2.0
93.03466	33.5
94.03791	1.2
95.01395	1.8
96.99310	1.3
101.02451	6.8
108.02155	5.0
109.02974	4.4
111.00917	1.2
112.40874	0.8
113.02429	4.2
120.99647	1.1
121.02957	4.8
123.00877	1.1
123.04496	1.7
125.02435	3.2
135.04582	5.1
135.08070	1.0
136.01677	2.6
137.02457	74.5
138.03305	5.6
139.04033	1.3
147.04488	1.2
148.05333	6.9
149.02457	15.3
150.03136	1.7
151.04019	6.0
152.01224	4.6
152.04790	5.2
153.01869	1.1
153.05641	4.1
163.07672	6.8
164.04813	40.8
164.06181	2.1
165.05353	2.1
166.02739	1.0
167.03464	3.0
169.01437	2.5
178.02687	1.3
179.03548	5.1
179.07144	18.8
181.05092	6.0
184.03775	1.5
191.03500	1.3
193.05069	3.0
194.05811	2.4
195.06673	2.1
197.04533	2.6
209.11743	1.2
211.06160	6.0
212.06911	10.8
213.07610	3.1
221.04431	1.3
227.09259	7.8
228.09537	1.1
278.76300	1.0
280.55368	1.0
281.06683	100.0
282.06998	7.8
289.07260	1.1
299.99094	6.3
300.99921	30.1
301.03345	1.6
302.00330	1.9
313.10953	1.1
357.20560	0.9
373.26083	1.4
375.74561	0.9
390.05099	0.9
393.15228	1.0
407.17294	1.2
422.42343	1.0
422.48547	0.9
461.14542	7.7
527.19989	1.2
537.16174	2.4
580.71649	1.2
689.24603	21.3
689.35822	4.5
690.25464	4.9
690.35101	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.5
57.03451	4.3
57.07341	0.9
58.00581	1.9
58.56509	1.0
59.01382	19.1
61.98829	2.7
71.01384	7.0
73.02952	17.5
75.34983	1.0
79.13501	1.1
83.01395	16.6
83.05025	1.9
85.02949	3.6
87.04518	3.9
95.04996	1.3
96.70483	1.1
97.02980	2.4
98.21712	1.8
99.00899	1.6
101.02470	8.8
108.02183	3.2
109.02946	2.0
109.06621	2.6
111.04552	1.5
111.08183	2.0
113.02465	2.6
119.05019	1.5
121.02956	2.8
122.03740	2.4
123.04527	8.9
125.02451	2.2
134.03738	2.8
135.04565	4.8
137.02435	2.2
137.06090	2.4
137.09727	1.4
138.48508	1.3
139.04051	1.7
139.07697	1.4
139.11311	19.9
143.03548	1.3
145.02968	5.7
146.03749	2.2
149.02425	1.5
149.06099	2.3
151.00407	2.4
151.04031	1.3
151.11365	2.1
159.04556	1.3
161.02565	1.3
161.06157	1.6
163.11348	2.3
164.04871	1.0
165.01952	3.1
165.09210	2.9
169.12312	6.2
171.10297	2.9
177.05612	3.1
179.10789	6.1
181.05092	3.4
181.12335	8.5
183.10295	28.0
184.10556	1.5
194.07509	1.6
197.06024	2.2
197.11916	5.3
199.13422	2.8
205.05109	1.2
205.12299	1.5
207.10284	1.7
209.11804	5.5
211.07671	3.7
212.08476	9.9
213.08876	1.5
222.06850	1.7
223.07799	5.3
225.05597	7.2
225.11336	29.8
226.11751	1.9
227.39566	1.0
228.85866	1.1
231.10307	1.4
238.06760	1.1
239.07130	13.0
240.07869	12.1
243.12376	26.7
244.12773	2.6
249.11324	4.4
250.06244	1.9
251.07166	14.0
252.07890	13.1
253.05093	7.9
253.08636	4.1
255.06721	1.4
256.07278	1.7
266.05807	8.5
267.06622	33.7
267.12375	4.8
268.07397	90.7
269.07971	11.6
270.08862	6.7
271.06369	1.1
271.09793	3.5
281.14163	1.1
283.09772	100.0
284.10052	7.5
285.11282	70.3
286.11639	6.0
291.12390	4.4
301.03558	2.9
301.07404	1.2
301.10797	33.8
302.11136	2.9
309.13535	2.7
313.10739	1.3
327.14566	10.1
343.11758	1.9
361.12946	3.7
387.16650	36.4
388.16821	3.0
473.32755	1.8
489.35934	15.1
490.36502	3.5
491.36615	2.6
627.28400	2.6
629.26617	1.3
659.26538	1.3
671.26996	28.7
672.27325	6.0
689.28137	27.3
689.38293	2.7
690.28387	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	689.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.6
59.01383	44.7
61.98831	4.2
64.32386	0.6
69.03455	0.6
70.45230	1.3
71.01381	3.1
73.02941	3.1
85.02962	1.3
85.06628	0.5
87.04528	1.0
89.02428	1.1
95.01413	0.8
95.05038	0.6
97.02913	1.1
101.02462	3.9
107.01363	1.3
108.02208	3.9
109.06582	1.6
111.04543	1.4
113.02448	1.3
123.00880	2.0
123.04517	1.8
123.08153	0.7
125.02448	15.6
135.04514	1.0
137.02470	1.8
137.09708	1.6
139.00467	0.7
139.03983	0.8
139.10214	1.2
139.11304	25.3
140.11638	1.1
143.03540	0.9
151.00427	1.0
153.05588	1.9
155.10826	1.9
158.05046	0.6
161.02415	0.6
163.11354	0.9
165.01897	1.0
165.09204	1.5
167.75194	0.5
168.00607	0.8
169.01427	16.0
170.01720	0.6
171.10246	1.1
179.03395	0.6
179.10800	4.2
181.04950	0.7
181.12354	14.1
182.12703	0.6
183.10272	31.2
184.10606	2.0
189.47119	0.5
197.11806	0.9
199.13419	8.8
207.10239	0.7
209.11821	2.4
214.58568	0.7
219.06599	2.3
223.09760	10.0
224.10220	0.8
225.11331	14.9
226.11668	1.0
227.12895	0.7
243.12375	100.0
244.12651	6.3
257.13977	2.1
267.12534	0.7
268.07327	1.2
285.13446	35.1
286.13818	2.7
313.05676	3.6
314.06201	0.6
315.14511	11.5
315.18170	0.7
316.14856	1.2
343.11911	1.2
345.15546	58.2
346.15869	5.9
361.12741	3.0
371.24261	1.3
372.79752	0.7
375.16531	0.7
387.16586	1.5
405.17654	91.4
406.13080	0.9
406.18045	9.7
443.25223	0.6
465.06714	4.5
485.32742	1.5
489.36166	1.0
537.16193	1.6
580.22668	0.6
689.16992	17.4
689.28833	5.0
690.17419	5.1
690.29071	1.6
711.42798	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.1
58.00575	1.2
59.01386	9.8
61.98832	5.5
67.09549	0.6
69.03455	0.7
71.01388	41.2
71.05011	0.8
72.01734	0.7
72.99300	0.9
73.02958	5.0
80.02674	1.8
81.03461	2.4
83.01416	1.3
83.05034	6.0
84.02181	1.2
85.02941	3.4
87.00858	1.9
89.02462	3.5
93.03465	1.1
95.01373	1.3
95.05033	2.9
97.02959	2.4
99.00885	1.8
101.02450	4.3
101.57214	0.6
108.02168	3.0
109.02979	0.8
109.06604	4.6
110.03766	0.6
111.00919	0.8
111.04522	1.7
113.02476	3.1
119.03484	1.2
121.02993	0.6
121.06650	0.8
123.00867	0.9
123.04527	2.1
125.02443	4.3
125.06063	0.8
125.09761	2.9
127.11282	2.1
135.04596	1.2
135.08153	1.7
137.02483	0.9
137.06151	0.6
139.03995	0.7
139.07718	0.9
143.03525	1.6
151.04134	0.7
155.10776	2.2
161.02498	0.8
161.04602	2.1
161.09689	0.9
163.11305	7.2
164.04843	0.7
164.11575	0.7
165.09169	0.6
165.11601	0.6
165.12775	2.9
169.01480	4.3
169.02744	1.0
169.12384	0.7
171.10284	43.3
172.10605	2.1
177.05576	0.7
179.05667	1.2
179.10741	1.4
181.12386	4.2
183.10242	1.3
185.11890	2.2
189.09245	1.1
191.10812	1.3
197.11836	2.0
199.09938	0.7
199.13396	1.2
201.11343	18.7
202.11639	1.2
207.10274	15.0
208.10788	0.9
209.11842	100.0
210.12167	5.7
211.13387	1.0
215.12909	2.1
219.06606	1.9
223.09756	1.7
223.13394	1.1
225.11324	29.6
226.11693	2.6
227.12923	11.6
228.13269	1.7
233.11905	0.9
235.08302	3.4
243.12404	2.4
247.13387	0.8
251.12897	2.2
253.09274	9.4
277.09546	0.6
295.10483	0.9
313.05765	0.7
327.99023	0.7
343.11658	1.0
375.27417	0.8
399.21927	0.7
417.22897	1.1
430.12805	0.8
443.19357	1.1
461.20474	3.4
479.21423	1.1
485.32962	6.5
635.30634	1.1
653.31885	2.5
654.32635	1.1
671.32690	2.6
689.15997	2.8
689.32843	5.5
690.17096	0.9
690.34674	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59117	5.3
59.01376	9.3
61.39691	5.6
61.98817	19.5
71.01385	11.3
71.30219	8.5
74.25115	5.6
78.95919	6.6
86.64125	6.0
89.02429	7.9
117.03450	7.7
123.04506	8.5
133.03003	8.0
135.04536	9.6
137.02457	100.0
139.04024	6.8
145.02930	10.4
149.53714	5.5
151.04123	10.8
161.02452	15.6
161.04565	4.7
177.01956	6.7
191.61142	5.2
255.23312	33.7
328.38287	5.3
397.13608	61.0
415.14529	20.9
425.17938	7.0
633.37622	25.9
635.38727	6.5
651.39075	46.4
652.39020	9.6
653.38983	22.4
689.35156	56.0
690.35547	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	689.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	16.9
61.98819	12.0
71.01388	18.6
71.28040	3.8
72.99305	3.1
78.95844	3.0
87.00881	5.1
89.02445	11.3
98.87549	3.4
101.02452	11.7
102.55575	3.0
112.28256	3.0
113.02451	6.2
119.03418	3.2
125.02419	6.9
138.78842	3.7
161.04427	4.2
164.99548	3.2
179.05576	3.9
190.89212	3.0
193.88867	3.3
205.37494	3.0
235.08278	4.9
255.23322	41.0
321.83566	3.1
384.82907	3.7
397.13535	100.0
398.14056	4.7
415.14706	29.0
569.47058	3.3
653.37634	10.5
689.35083	44.7
690.35059	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	690.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19891	0.6
59.01387	2.0
61.98835	100.0
66.88644	0.6
67.89732	0.6
69.53442	3.0
71.01390	1.2
77.32063	0.6
83.05034	0.6
89.02471	0.7
97.02889	0.6
108.02202	1.3
109.02950	1.2
123.04548	0.9
124.22097	0.6
125.02444	3.1
127.60190	0.6
137.02499	1.9
145.02959	1.2
149.02477	0.7
150.79689	0.6
151.04041	0.7
163.11205	0.6
169.01485	2.2
171.10327	1.3
187.89346	0.6
209.08272	0.9
209.11885	8.9
210.12209	2.9
211.13420	6.0
212.13846	2.4
245.08261	0.9
253.09412	1.0
289.07315	2.6
299.09317	1.2
327.12421	0.7
374.67905	0.7
377.19937	0.9
441.08249	0.6
539.23169	1.3
589.65704	0.6
690.46576	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3863
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.2
61.98832	3.6
69.52299	4.4
71.01361	1.0
84.00908	2.8
84.29337	1.0
89.02493	1.5
98.22575	1.3
125.02447	1.7
159.29486	0.9
204.05080	1.4
210.85194	1.0
256.61322	1.0
284.81937	0.9
305.06290	1.4
433.93713	1.2
471.30963	1.9
485.32755	100.0
486.33060	18.3
487.34045	3.5
532.54456	1.2
550.69000	1.2
647.37903	1.5
690.38397	2.6
691.23792	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3866
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61707	0.9
59.01379	1.4
61.98833	4.0
70.44575	0.9
71.01390	1.3
82.95401	1.4
84.00901	1.8
89.19819	0.9
94.59612	0.8
100.48114	1.0
101.02454	1.4
118.45853	0.9
118.70901	1.1
119.03474	1.2
125.02431	1.8
140.78136	1.0
264.59589	0.9
379.30310	1.3
391.30264	1.1
409.31232	9.4
410.31281	1.1
410.85751	1.0
421.31219	3.8
439.32239	15.4
440.32458	2.3
441.33423	1.8
444.34186	1.0
455.31900	1.8
473.32736	100.0
474.33047	15.2
485.32767	2.8
486.32367	1.5
517.31842	5.2
518.31952	1.4
527.33734	1.3
690.38538	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	690.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66706	0.8
59.01385	12.5
61.98829	4.0
71.01386	10.3
83.16628	0.8
85.02967	1.9
89.02473	5.1
101.02434	4.5
109.06651	0.9
113.02479	1.6
119.03553	1.5
149.91559	0.9
151.11356	1.2
154.93146	1.0
165.46634	0.8
169.01474	1.5
169.12367	3.1
171.10338	1.4
194.19450	1.0
201.86205	0.9
209.11856	3.0
211.13438	2.5
214.59103	0.9
230.29152	1.1
319.26230	0.9
329.12662	1.1
439.32248	4.1
441.33786	5.1
485.33112	1.3
538.98511	0.9
637.32623	2.0
647.38049	100.0
648.28156	1.8
648.38403	26.9
648.49207	1.4
659.33044	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	691.0996
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.0
71.00283	0.7
71.00636	0.4
79.95755	3.5
83.01399	0.6
96.96021	100.0
97.95956	0.6
109.02959	1.1
110.29642	0.5
121.02896	0.5
123.00870	0.6
123.04494	0.5
125.02462	8.0
129.12907	0.4
137.02454	3.0
139.04073	0.8
151.03983	0.8
161.02411	1.1
165.01950	1.3
167.03537	0.6
177.01970	3.1
179.03522	0.8
187.03917	0.6
189.01958	0.5
197.17453	0.5
231.03043	0.9
255.03116	1.2
283.02475	0.9
289.07166	1.3
295.27942	0.4
301.00195	0.6
305.06668	3.1
371.00766	0.9
407.07742	1.3
423.07193	4.0
424.07446	0.8
425.08853	1.4
426.09146	0.6
441.08328	1.5
463.03671	3.8
467.09824	1.4
479.02954	2.7
542.65692	0.5
593.13501	2.2
631.07855	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.1
58.55044	0.8
59.01379	2.4
59.95874	0.8
67.01868	1.1
69.03461	1.9
69.23104	5.1
71.01382	3.7
71.05011	4.7
79.01884	1.6
83.01397	2.0
83.05007	0.8
85.02956	1.9
85.90487	0.9
87.00886	1.2
89.02495	0.7
95.01382	1.2
96.96032	1.0
97.02966	5.3
101.02432	1.4
101.06078	1.5
107.01398	11.3
107.05119	0.8
109.03003	1.5
111.00909	3.0
113.02444	1.1
121.02991	2.0
121.06606	1.5
123.00887	7.4
123.04517	1.7
124.01707	2.7
125.02456	92.1
126.02773	3.0
127.03191	1.0
127.04018	4.8
136.98834	1.5
137.02419	2.4
139.00375	3.2
139.04030	23.1
140.01178	2.8
143.03508	2.4
151.00383	5.1
151.03998	1.8
153.01926	1.1
163.03993	1.3
163.07666	2.9
165.01878	1.3
167.03412	1.9
168.00653	5.2
169.01437	100.0
170.01794	3.9
175.04066	0.9
181.01340	1.1
181.05150	0.9
191.03551	2.2
192.04323	6.2
193.01401	1.4
193.05037	1.1
207.06636	17.7
207.25668	1.1
208.06908	1.2
211.02495	4.6
225.07693	23.3
225.09700	1.7
225.11223	2.0
226.07883	1.1
228.67467	0.8
237.04083	1.7
253.03529	1.4
271.04611	2.6
272.87970	0.9
283.75726	1.0
288.02237	1.0
295.04605	3.5
313.05658	30.3
314.05939	1.9
316.05576	0.9
381.47421	0.8
412.96857	0.9
423.05786	3.8
453.10089	1.2
465.06735	59.2
466.07080	6.4
483.07703	6.1
521.13281	2.5
539.14172	2.8
605.11523	8.7
606.11255	1.2
647.16028	1.4
673.14105	37.0
674.14288	7.3
691.14563	25.6
692.15540	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	691.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32267	1.2
59.01385	33.5
67.01858	1.2
69.42480	6.9
71.01382	11.2
72.99303	1.4
73.02966	1.3
82.09548	1.3
83.05087	1.4
85.02965	2.5
87.00860	2.0
89.02451	8.1
95.01397	2.9
97.14066	1.1
99.00840	1.7
101.02451	6.7
107.01410	7.0
108.02176	5.7
109.02979	3.4
111.00885	3.7
113.02438	3.8
119.03470	4.2
123.00907	11.9
124.01649	3.8
125.02463	48.7
136.98808	1.9
137.02466	2.3
138.03212	1.4
139.00383	6.2
140.01151	4.1
141.01949	1.3
149.02428	1.7
150.03214	3.5
151.00340	4.3
151.03992	1.7
152.01183	6.8
153.01895	2.9
156.47668	1.2
163.11298	3.6
165.01939	1.4
165.05533	2.9
166.99925	1.5
167.03468	2.0
167.07149	2.9
168.00638	9.0
169.01433	46.1
170.01778	3.5
193.84833	1.4
207.10246	12.3
211.02499	2.5
225.10941	1.4
271.04611	1.4
313.05801	1.5
329.12476	5.3
387.16580	32.8
388.16974	2.1
479.15552	5.1
494.10645	3.5
495.11484	2.1
521.16681	2.8
539.17688	48.3
540.17932	6.4
576.46838	1.3
691.18842	100.0
692.19244	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	691.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46648	1.1
59.01382	34.7
68.10276	1.2
71.01043	1.2
71.01380	8.5
73.02929	1.5
81.03453	1.3
83.01388	1.2
85.02966	2.6
86.32237	1.3
89.02442	7.7
93.03463	2.6
95.01431	2.7
96.95998	1.7
101.02442	6.8
107.01405	5.1
108.02190	25.8
109.02972	14.0
111.00903	3.2
113.02451	4.2
119.03521	3.9
121.02968	3.5
122.03716	1.9
123.00880	10.0
123.04517	2.1
124.01636	1.4
125.02444	24.5
129.49445	1.1
135.00861	1.7
135.04517	1.1
136.98840	1.3
137.02420	6.1
138.03256	1.7
139.00357	3.6
139.04002	2.3
140.01147	2.4
141.01967	1.2
149.02493	3.5
150.03256	11.2
151.00352	2.7
151.04030	5.6
151.81839	1.1
152.01170	27.3
153.01971	12.4
163.11298	3.5
165.01920	2.0
165.05576	9.8
166.02730	1.4
166.99915	1.8
167.03427	2.3
168.00670	4.7
169.01430	19.9
179.03435	1.6
179.07288	1.6
181.01440	2.9
181.05125	2.6
182.02255	2.8
183.02972	4.3
197.04556	5.4
207.10300	10.5
210.39970	1.1
211.02528	3.3
271.04745	4.5
287.67212	1.3
305.06638	2.3
313.05560	1.4
327.07248	2.2
341.08624	1.4
387.11942	2.1
387.16669	33.3
388.17072	3.1
479.15649	4.9
493.09891	3.1
494.10693	8.0
495.11453	6.2
521.16986	2.5
539.17743	51.3
540.18054	6.9
627.17841	1.5
691.18854	100.0
692.19202	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	691.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.3
60.58169	0.8
61.98840	11.6
67.01873	1.2
69.03469	1.7
69.06316	8.6
71.01397	4.7
79.01890	1.3
81.03440	1.5
83.01396	1.8
85.02955	1.3
93.03476	1.0
95.01404	2.5
96.36360	0.9
96.96032	0.9
97.02917	2.1
98.22644	1.6
99.03799	1.1
101.02435	2.3
102.20386	0.9
104.32626	0.9
107.01402	15.8
111.00925	2.3
113.02475	1.7
119.27646	1.1
121.02964	4.3
122.03732	1.8
123.00890	13.8
123.04475	1.0
124.01682	2.2
125.02460	75.6
126.02783	3.0
136.98894	2.2
137.02446	1.4
139.00388	7.3
139.04015	2.2
140.01190	5.9
141.01997	2.7
149.02473	7.3
150.03246	10.2
151.00372	10.9
151.03972	4.5
153.01991	1.8
162.03308	1.1
164.04750	1.4
165.05594	8.3
166.06355	7.9
167.03464	1.6
167.07095	2.7
168.00713	4.8
169.01439	90.9
170.01802	2.9
177.05548	1.8
179.03552	1.3
179.07092	1.1
180.04378	1.2
181.05119	1.4
181.08745	2.4
183.03014	7.2
183.67288	1.0
195.06657	1.5
211.02521	2.9
233.62328	0.9
237.92807	1.0
241.03609	1.9
253.03578	1.4
271.04752	1.2
313.05670	28.3
314.06039	1.9
314.11841	1.8
327.07373	3.5
329.13977	3.2
473.31863	1.0
491.11877	3.0
493.13809	1.1
509.13074	8.9
661.18427	3.1
691.22437	100.0
692.22821	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	691.225
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	3.1
59.01362	2.0
69.03448	1.2
69.35534	4.6
69.35937	2.5
71.01385	3.1
81.03461	2.9
83.01397	3.3
87.00858	1.3
93.03467	2.6
95.01392	1.5
95.05050	3.6
96.84883	1.1
97.02969	8.7
107.01407	1.8
107.05019	1.4
108.02169	1.4
109.02958	28.5
109.47075	1.3
110.03333	1.4
121.02971	2.4
123.00901	3.6
123.04531	24.1
124.04819	2.4
125.02452	31.3
126.02844	1.7
135.04559	2.6
137.02452	10.7
139.00352	1.6
139.04042	4.6
140.01102	1.6
146.03737	1.6
147.04578	1.6
149.02487	5.9
150.03156	1.3
151.00381	1.2
151.04022	9.6
159.04530	3.8
161.06084	5.9
162.03206	2.0
163.04016	1.4
164.01172	3.8
165.01964	4.6
166.02612	2.2
167.03490	2.8
169.01448	12.3
175.04012	2.6
175.07698	2.2
177.01997	1.3
179.03481	8.2
180.60693	1.1
183.02986	1.7
187.03989	6.5
188.04774	4.5
191.05606	8.4
193.08685	2.0
195.62212	1.2
196.09816	1.1
202.06334	2.3
203.07152	15.3
204.07565	1.9
205.05081	9.3
207.08638	1.3
221.08159	2.3
227.07161	3.1
228.04489	1.9
229.05048	1.6
233.20911	1.3
243.06543	2.5
245.08235	20.1
246.08504	1.5
289.07187	100.0
290.07632	8.4
300.99936	1.9
313.05652	1.8
359.10828	1.1
401.14243	2.4
680.43115	1.5
691.22528	18.4
692.22235	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	691.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15416	1.2
59.01393	7.5
63.12374	1.2
65.03941	1.2
67.01892	3.4
68.99834	1.4
71.01393	6.4
72.99312	3.6
73.02968	1.6
79.01907	4.4
81.03475	1.9
83.01404	2.5
87.34599	1.2
88.98825	1.9
95.01391	7.1
97.02993	2.9
101.02457	2.8
107.01392	8.6
108.02200	3.7
109.03005	3.0
111.00900	10.9
120.99706	2.1
121.03016	2.5
122.03769	2.3
123.00896	34.5
123.01774	2.1
123.04551	2.6
124.01730	1.6
125.02460	47.8
126.02824	2.2
127.00410	4.5
135.04558	2.1
136.98819	6.9
137.02473	9.2
139.00409	15.2
139.04044	3.8
140.01167	12.9
141.01996	2.4
149.02501	4.6
150.03264	9.7
151.00394	9.7
151.04016	2.9
153.01984	1.8
161.02516	3.3
162.03265	1.3
163.04019	1.5
163.11362	3.6
164.04816	1.4
165.01999	5.1
165.05579	6.9
166.06354	3.0
166.99889	8.7
167.03528	4.7
167.07222	4.9
168.00664	28.1
169.01439	55.1
170.05437	1.3
177.02011	1.8
177.04080	4.7
177.05528	1.5
179.03578	2.4
180.04250	1.4
181.01419	2.0
181.05061	1.4
181.08752	2.8
183.03072	5.8
184.21426	1.1
193.01506	1.7
205.29907	1.3
211.02490	15.4
217.43141	1.4
219.06699	1.6
221.04776	1.3
225.04193	2.8
225.07820	1.4
271.04520	7.5
285.06183	1.6
297.06131	1.9
305.06772	5.8
313.05777	3.8
329.05212	3.0
354.51852	1.4
387.16522	3.7
476.56442	1.5
483.08078	2.5
493.13846	1.8
494.14313	27.9
495.15039	7.4
509.16492	3.2
523.14496	3.3
539.17780	7.5
549.16394	12.3
550.16882	1.7
643.20642	10.0
644.21381	1.7
655.20544	2.7
673.21301	22.3
674.21912	5.6
691.22498	100.0
692.22845	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	691.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.3
59.01374	4.7
65.00324	1.1
67.01888	3.0
69.03471	1.1
71.01379	4.6
72.99310	2.7
79.01882	3.3
83.01401	2.5
85.02966	1.8
87.00890	1.3
89.02451	1.1
95.01397	6.0
97.02946	1.6
101.02461	2.9
107.01395	7.3
108.02190	4.0
109.02944	1.9
111.00896	9.2
113.02493	1.8
119.90041	1.0
121.02979	2.3
122.03767	2.7
123.00898	36.4
123.04533	3.0
124.01654	3.6
125.02464	33.7
127.00404	4.2
136.98773	5.5
137.02472	4.2
139.00362	16.2
139.04021	2.9
140.01184	15.5
141.01932	4.3
147.65189	1.1
148.54761	1.2
149.02451	5.3
150.03242	10.6
151.00365	8.2
151.04007	3.1
153.01920	1.9
161.02467	1.4
161.06158	1.2
163.11287	1.2
165.01907	3.0
165.05553	6.0
166.06323	3.1
166.99870	9.2
167.03519	2.2
167.07170	2.4
168.00667	26.0
168.52570	1.0
169.01439	43.3
177.04088	5.8
177.05402	1.1
179.03557	2.2
180.04167	1.2
181.08643	1.5
183.03001	7.1
186.47505	1.0
210.01819	1.1
211.02481	12.0
225.04082	3.4
248.14555	1.2
271.04605	4.7
285.06335	1.6
297.06244	2.6
305.06845	3.9
313.05740	2.6
329.05136	3.5
329.12399	2.6
387.16672	2.0
417.11224	1.0
491.19296	1.2
493.13351	2.0
494.14319	26.6
495.14825	8.1
509.16757	4.7
530.47955	1.2
539.17853	4.4
549.16132	9.5
550.16589	1.6
567.17310	2.3
643.20367	7.9
644.20654	2.7
655.20398	1.3
673.21460	20.0
674.21594	4.6
691.22437	100.0
692.22803	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76578	0.9
59.01379	2.6
60.72588	1.0
65.00344	1.6
67.01884	4.0
68.99824	1.0
69.31889	2.2
69.32291	4.6
71.01392	5.0
72.99298	1.5
79.01893	3.5
83.01379	2.7
85.02965	1.2
87.00863	2.0
95.01425	7.6
97.02967	1.2
98.08843	1.1
99.00909	1.1
101.02447	3.0
103.71774	1.1
107.01414	7.8
108.02175	2.7
110.91415	1.0
111.00896	9.2
113.02454	1.6
114.64935	1.1
117.03501	1.3
117.75822	1.2
121.02989	2.6
122.03729	3.6
123.00890	42.3
123.04506	3.4
124.01636	3.6
125.02458	32.6
125.55795	1.1
127.00385	4.7
136.98813	6.3
137.02457	4.9
139.00389	16.6
139.04076	2.4
140.01196	15.9
141.01955	4.7
149.02406	5.2
149.06207	1.3
150.03253	17.0
151.00360	6.8
151.03993	3.1
153.01901	1.5
159.04561	1.2
164.04813	2.0
165.01909	1.7
165.05565	11.4
166.06276	2.5
166.99866	10.4
167.03502	1.6
167.07118	3.6
168.00661	29.8
169.01439	56.5
170.01857	2.7
173.34944	1.3
177.01955	1.0
177.04059	7.1
180.04303	2.8
181.08673	1.4
183.03038	6.5
195.06602	1.7
211.02489	14.3
225.04045	2.5
241.03609	1.9
271.04764	5.7
285.06219	2.1
297.06293	2.0
301.00040	1.4
313.05692	5.2
329.05167	4.1
329.12515	1.3
331.06775	1.4
362.13663	1.3
377.16208	3.0
493.13626	4.0
494.14334	34.4
495.14990	9.5
509.16849	2.5
523.14740	2.3
539.17743	2.6
549.16217	7.2
567.17200	1.2
643.20428	10.6
644.20746	1.5
655.20563	4.5
673.21411	25.5
674.21710	5.2
691.22443	100.0
692.22754	19.9
722.26599	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09831	2.1
53.29387	2.5
56.39355	2.3
59.01381	7.5
61.98835	4.8
67.01888	5.2
70.87656	2.8
70.91743	4.3
71.01399	11.0
81.03455	3.2
84.31371	2.5
85.02974	2.7
87.00870	3.4
93.03477	8.9
95.01410	5.1
96.96025	4.7
101.02455	3.9
107.01408	16.5
108.02185	9.8
109.02966	6.4
111.00906	7.5
113.02474	3.5
116.92867	3.2
120.99677	6.6
121.02973	8.0
122.03717	15.0
123.00906	32.6
123.04546	13.2
124.01727	5.3
125.02459	62.3
136.01674	3.5
137.02475	7.5
139.00417	9.7
140.01198	9.2
149.02435	22.4
150.03235	88.9
151.00369	19.7
151.03690	4.5
152.01158	15.4
153.01953	38.3
161.02477	4.1
163.04019	3.3
164.04826	7.2
165.00198	2.6
165.01930	3.0
165.05576	80.5
166.02716	8.3
166.05942	3.6
166.99883	8.6
167.03523	47.8
168.00670	13.0
168.04276	31.3
169.01440	65.6
169.02844	4.6
170.01810	3.1
177.01852	2.9
179.03439	2.6
180.04353	6.0
181.05087	4.7
182.05913	5.2
183.03023	4.8
183.06664	8.7
195.06615	39.7
196.07092	5.1
197.08241	3.3
207.06648	3.4
209.04596	9.7
211.02539	3.2
243.06767	2.8
269.98175	2.9
271.09625	2.7
272.07043	3.4
287.09204	15.7
296.05350	4.4
297.97522	3.8
311.07736	69.2
311.11029	4.8
312.08124	4.0
312.99963	6.7
313.05771	8.6
313.10938	2.7
314.00970	4.6
315.08868	6.8
329.03064	12.6
331.08279	3.1
332.09052	12.6
333.09802	3.7
341.08743	3.1
342.08829	3.0
343.11981	3.2
348.15448	4.8
351.24332	2.5
363.10864	4.4
399.14978	2.4
448.95145	2.4
481.15094	3.8
493.09509	4.1
495.15131	96.6
496.15359	13.0
511.15955	18.1
535.10638	3.1
535.20319	2.7
539.21338	9.4
691.22491	100.0
691.34851	6.0
692.23199	19.9
696.41650	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16233	1.8
59.01380	2.9
60.45945	1.7
61.87132	1.8
61.98839	9.7
69.35019	4.0
69.35432	5.2
71.01424	1.6
71.99471	1.8
73.18513	1.6
78.95910	4.2
96.96025	2.0
108.02182	85.2
109.19588	2.1
111.19927	1.9
117.38890	1.8
123.04536	48.4
141.04803	1.8
149.06075	8.2
152.99602	3.1
161.02440	2.6
162.03149	3.1
176.04823	2.3
177.05568	23.8
191.07172	11.6
204.04305	2.3
211.13377	2.5
219.06648	100.0
220.07007	7.7
343.11911	55.9
344.12094	5.8
380.64145	2.0
684.23810	2.0
691.34625	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	691.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05843	3.2
55.06250	3.1
59.01383	25.2
61.98838	19.2
64.04384	2.6
68.42359	2.7
71.01030	5.2
71.01384	62.4
71.27844	4.4
71.28242	3.6
73.02978	4.1
85.02946	6.5
89.02457	7.2
90.62267	2.8
92.41470	3.0
94.71545	2.9
97.02985	7.3
99.00891	3.3
101.02470	15.4
108.02238	3.2
109.06586	13.8
109.87809	3.1
113.02429	7.0
123.04473	3.5
125.02444	29.4
125.09781	5.9
126.02770	6.4
135.04541	3.6
136.01720	3.9
138.02025	4.0
139.04039	4.2
143.03477	3.7
151.04024	3.5
153.50085	3.4
158.80965	3.4
161.04556	3.4
163.11263	9.7
169.01462	26.6
170.01785	6.2
171.01883	6.1
171.10280	42.5
179.10764	5.8
180.11017	3.5
183.13837	6.5
191.07191	2.9
193.08612	3.5
199.09703	8.1
199.13469	4.3
201.11240	14.2
207.10265	39.0
209.08112	5.6
209.11815	13.6
211.13412	100.0
212.13754	10.1
223.09834	15.1
224.10165	6.4
225.11467	22.6
227.12955	4.1
229.80423	2.9
235.08051	7.1
253.09326	12.4
269.28735	3.5
293.21179	8.1
313.05951	4.1
373.23773	4.2
383.22351	10.0
401.23251	25.2
402.22949	3.2
419.24252	7.5
443.19559	3.5
447.22015	4.3
461.20465	5.7
469.30093	2.9
486.32990	8.9
487.34161	21.4
609.33014	7.5
611.30530	4.9
619.30957	15.6
637.32324	72.9
638.32507	21.6
648.38440	6.7
655.33234	30.8
656.33850	4.4
659.33044	3.6
673.34119	6.8
691.17480	41.3
691.28381	5.0
691.34790	11.6
692.17694	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	691.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07162	1.0
57.03445	2.2
59.01381	8.6
61.98840	11.0
69.05025	1.7
69.05424	8.1
71.01381	14.4
71.05041	1.5
73.02943	1.7
81.03448	2.1
83.01414	2.2
83.05041	5.6
84.02193	1.0
85.02971	2.5
87.00865	1.8
89.02452	4.2
95.01434	1.0
95.05019	1.3
97.02953	1.7
97.06631	5.7
99.00916	1.1
101.02446	7.0
107.01402	2.0
108.02194	1.7
109.02995	1.4
109.06613	1.7
113.02457	4.6
116.92895	1.4
119.03519	1.1
121.02946	1.3
123.00910	1.8
123.04498	2.0
125.02470	7.8
125.09692	1.2
135.08151	2.0
137.02507	2.2
151.00500	1.6
151.04033	2.1
151.11296	14.7
161.02390	1.2
161.04582	2.9
163.04076	1.4
163.11313	4.2
164.04736	1.3
167.03323	1.2
169.01442	12.3
169.12354	73.0
170.12619	2.5
171.10284	4.7
172.10632	1.2
181.12265	1.5
191.10805	1.5
195.10199	2.4
201.11362	3.0
207.10291	4.1
209.08261	3.3
209.11838	56.6
210.12215	3.8
211.02530	1.3
211.13417	11.3
213.11319	10.0
216.82704	1.3
225.11295	2.9
227.12904	5.2
235.08249	2.8
249.11375	1.2
253.09285	3.5
271.04709	1.5
299.60303	1.2
313.05658	4.5
343.15540	2.3
366.26743	1.2
377.19934	2.9
401.23157	1.9
431.19247	2.3
449.20212	7.1
487.34308	4.2
637.32312	6.9
638.32220	2.5
641.31866	2.5
655.33136	3.7
659.32867	100.0
660.33136	21.5
691.25000	12.8
691.35944	7.3
692.25909	3.2
692.36725	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.2
59.01384	6.0
61.98835	7.5
64.61444	0.8
69.04014	7.3
69.60168	0.9
71.01380	4.6
73.02953	2.1
77.19494	0.9
83.01399	1.6
83.05029	4.0
85.02966	2.3
85.96162	0.8
87.00864	1.1
89.02465	2.0
93.03460	1.4
95.05038	1.6
96.96039	1.3
98.21722	1.4
99.00835	1.0
101.02438	4.4
108.02202	2.0
109.02950	1.5
111.00896	1.7
112.48051	0.9
113.02473	2.6
119.03533	1.9
121.02942	1.2
123.00886	0.8
123.04564	2.9
125.02462	4.9
125.09782	1.5
127.11305	1.9
133.02931	1.4
135.04526	2.0
137.02435	2.1
139.04071	1.0
139.11258	1.3
139.53894	0.9
149.02415	1.9
151.04015	2.6
153.01909	0.9
154.02722	1.2
155.10811	1.5
161.02512	4.6
161.04565	1.3
161.06078	1.3
163.04065	2.4
163.11308	4.0
164.04803	3.2
165.05551	1.5
165.12874	2.0
166.02718	1.0
167.03461	1.2
169.01399	3.1
171.10278	3.2
177.26115	0.9
179.03551	3.0
179.07101	1.9
183.06662	1.6
183.10245	2.0
187.00542	0.8
197.04463	1.0
201.11359	22.1
202.11589	2.1
209.11847	100.0
210.12201	8.1
227.12898	14.0
235.08272	2.1
243.12424	1.0
245.13947	3.3
253.09344	8.1
285.07727	1.8
289.07062	1.0
302.07794	0.9
303.08652	1.6
361.16882	1.4
363.14490	1.7
405.17575	1.2
443.31927	1.2
445.20697	2.2
469.29791	1.1
487.29977	5.6
489.17581	2.3
511.21835	1.9
593.41498	1.1
611.30652	1.3
691.25793	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	691.3856
Annotation	Myrtucommulone I
Peak:m/z	Relative Intensity
59.01384	5.8
61.98823	3.9
63.85623	1.0
69.16176	7.2
78.95914	2.4
95.84973	0.9
96.35649	1.0
96.96018	1.3
117.03471	43.0
117.04302	2.3
118.03761	1.3
119.05051	4.4
121.02971	10.3
123.04535	4.3
133.02969	4.5
134.03703	1.7
135.04572	1.2
145.02962	83.5
146.03278	4.8
149.02449	1.6
152.99579	1.5
161.02440	4.9
162.03262	5.3
163.03995	4.9
177.01939	3.7
201.45486	0.9
209.11746	1.4
277.21899	1.4
286.04181	1.0
469.33258	1.6
613.34961	2.6
631.36334	9.1
632.37164	1.8
691.38562	100.0
692.38867	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	691.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39439	0.5
57.03411	0.5
80.18106	0.4
85.17713	0.4
87.04456	0.5
93.45296	0.4
98.22572	0.7
109.06572	0.4
113.09739	5.0
125.06057	0.6
147.08165	0.7
178.97037	0.4
181.08716	26.8
182.08968	1.5
193.08604	1.2
209.08162	0.6
231.06552	0.4
233.08183	0.7
249.41403	0.4
261.07626	1.4
285.07657	2.6
298.04999	0.4
311.05502	1.1
351.12335	1.5
354.11124	0.6
357.17148	2.2
357.21176	0.4
369.13440	49.7
370.13736	5.7
437.19656	3.8
441.22836	100.0
442.23166	14.0
455.12485	3.1
455.23370	0.6
509.22021	0.4
509.28976	5.9
510.29315	1.3
691.29395	0.5
691.38611	14.0
692.38702	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	691.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88256	0.7
56.08699	0.6
63.88720	0.5
74.07611	0.5
104.13760	0.5
109.02924	1.2
113.09737	4.2
137.84514	0.6
147.08116	0.6
181.08713	29.5
182.09030	1.0
193.08698	2.1
195.90791	0.5
204.19159	0.6
209.08017	0.6
285.07666	6.3
311.05606	1.1
317.63968	0.6
346.58981	0.6
351.12558	0.6
357.17120	8.6
358.17407	1.0
369.13412	53.7
370.13803	6.9
383.14841	0.7
400.26242	0.6
437.19635	6.5
438.19995	1.3
441.22821	100.0
442.23138	17.9
455.17545	1.1
505.48538	0.6
509.21912	1.0
509.29037	16.8
510.29306	3.4
691.38519	49.2
692.38818	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	692.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84181	2.9
54.05931	2.9
59.01383	26.9
61.41928	3.3
61.98839	15.5
65.19644	3.2
70.86156	5.1
71.01394	23.7
72.40582	3.3
72.99272	3.2
73.02948	5.2
73.61561	3.0
78.95893	4.1
81.56525	2.9
83.01353	3.2
85.02956	5.9
87.00892	7.4
89.02473	19.4
97.02941	4.7
101.02466	18.9
105.26722	3.0
108.48985	3.2
112.06066	3.1
113.02442	11.1
119.03500	7.1
125.02475	8.4
143.03490	3.8
145.51888	3.2
152.99646	3.2
161.04555	7.1
167.03479	3.6
179.05534	4.4
206.99475	3.0
235.08258	9.7
251.20184	85.3
252.20383	7.7
280.19183	3.1
305.08908	4.4
397.13562	100.0
398.13846	7.4
415.14584	38.3
693.33038	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	692.3663
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.4
59.01364	1.8
61.98841	4.3
71.01379	1.3
73.02964	3.1
74.32574	0.5
85.02969	1.0
96.95995	0.6
97.02949	0.8
101.02449	0.6
102.83287	0.5
105.11456	0.5
107.01346	0.5
108.50611	0.4
111.00874	0.8
113.02438	0.8
120.64523	0.4
125.02413	2.0
153.01947	0.6
160.03983	0.8
161.02431	0.6
167.07181	0.6
169.01393	2.8
183.10521	0.5
211.02362	0.5
318.08456	1.0
353.77310	0.5
360.11539	3.3
360.61639	0.9
373.26028	0.8
385.31372	0.7
393.27792	0.6
397.31415	0.6
412.25214	0.5
415.32455	0.5
425.30719	1.2
443.31424	0.8
465.30197	1.0
471.30942	1.1
487.30588	100.0
488.30862	18.6
501.32303	4.7
502.32822	0.6
529.31732	10.0
530.32098	1.8
598.78931	0.5
629.24475	1.4
692.39313	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.0
59.01381	9.8
61.98834	14.0
68.76777	0.7
69.74238	1.8
71.01396	4.2
73.02945	1.8
85.02955	1.7
87.00907	0.8
89.02457	2.6
90.93201	0.9
96.95972	1.2
98.21835	1.3
101.02465	3.6
102.20290	0.7
108.02175	1.2
113.02476	2.4
119.03469	1.8
123.04510	2.6
125.02428	4.1
137.02451	1.2
139.11296	1.9
151.04059	1.3
153.05539	1.6
160.04056	2.2
161.02432	1.1
169.01451	4.3
183.10274	2.7
184.10555	2.2
196.78783	0.8
200.13626	1.0
207.10236	1.0
209.11717	1.2
211.13487	1.4
221.06731	0.9
225.11447	1.3
243.12361	4.7
244.12711	2.9
245.12915	2.0
285.13431	1.2
286.13773	0.8
287.14099	1.4
289.07440	1.1
291.88614	0.9
305.98895	0.8
323.09827	0.8
345.15714	1.0
346.15887	1.8
347.16037	1.9
348.16312	1.5
373.25650	0.9
405.17770	1.7
406.18347	1.8
407.18152	4.1
408.18353	2.2
471.31274	7.1
485.32913	1.0
487.34354	100.0
488.34610	17.6
637.32520	1.9
638.32208	2.2
649.39026	0.9
656.33844	1.4
692.28882	1.2
692.39661	2.3
693.23370	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	692.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17554	0.9
59.01381	2.0
61.98833	0.9
80.44953	0.9
81.22897	0.9
84.00916	3.6
98.22540	2.4
101.02432	1.3
134.07712	0.8
135.96768	0.9
143.03552	0.8
143.37680	0.9
170.50980	1.0
204.05287	1.3
249.66008	1.0
351.43170	0.9
452.52884	0.9
487.34335	100.0
488.34686	19.4
489.35785	3.5
593.77032	1.2
649.39563	2.1
692.40002	3.5
693.40515	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.8
61.74043	3.7
61.98838	21.1
77.26050	4.1
98.21822	11.8
120.19662	3.9
125.02451	9.7
129.10378	4.9
135.27173	3.9
146.06116	4.2
151.00333	4.3
165.10355	7.0
169.01421	4.0
177.02028	4.5
243.06592	10.6
260.13824	5.5
487.34290	100.0
488.34589	16.6
573.25995	4.7
656.41583	72.3
657.41516	14.0
692.39520	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	692.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.8
61.74043	3.7
61.98838	21.1
77.26050	4.1
98.21822	11.8
120.19662	3.9
125.02451	9.7
129.10378	4.9
135.27173	3.9
146.06116	4.2
151.00333	4.3
165.10355	7.0
169.01421	4.0
177.02028	4.5
243.06592	10.6
260.13824	5.5
487.34290	100.0
488.34589	16.6
573.25995	4.7
656.41583	72.3
657.41516	14.0
692.39520	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	693.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27918	0.4
57.03453	13.8
63.61632	0.3
71.27754	0.4
74.21210	0.5
79.61739	0.4
82.21973	0.4
83.01397	0.9
91.98685	0.4
93.03436	0.6
96.95983	0.5
105.03470	0.6
109.02960	3.3
117.03457	0.9
121.02965	1.5
123.00941	0.5
123.04539	1.4
124.01688	0.7
125.02460	100.0
126.02790	4.0
133.02992	4.0
135.04553	0.8
137.02464	3.0
139.04024	0.9
149.02448	1.1
150.03278	0.5
151.04002	2.3
159.04517	1.5
161.02467	28.8
162.02995	1.0
163.00397	0.6
163.03989	0.6
164.01135	2.9
165.01949	1.3
167.03522	2.9
169.01498	1.0
173.06001	0.6
175.04033	1.2
177.01962	3.4
177.05519	0.5
188.04970	0.4
197.06154	0.8
199.04044	1.0
199.98317	0.4
201.05659	1.5
209.06119	0.5
212.04512	0.4
213.05569	0.8
217.05104	0.4
224.05019	0.4
225.05582	1.5
233.58694	0.4
239.07259	0.5
241.05109	2.3
242.05357	0.4
243.02931	1.1
243.06635	11.1
244.04004	0.5
244.07193	0.6
245.04553	1.5
253.05072	4.1
255.03017	0.5
255.06711	0.9
257.04492	0.5
265.05173	0.5
267.03235	0.4
267.06430	0.5
269.04602	1.1
269.08304	0.5
275.07178	0.6
277.05139	0.5
278.06024	0.6
281.04639	0.8
281.08246	0.9
282.05115	0.4
283.06186	0.7
287.05679	10.5
287.08896	0.8
288.06088	0.7
289.07407	0.6
291.06723	1.0
293.05161	0.7
293.08170	3.8
295.06088	2.9
296.06558	0.6
300.99945	1.0
303.04962	0.6
307.06253	1.0
311.50357	0.4
333.07712	0.9
335.05832	0.4
335.09354	3.1
359.05386	0.6
361.07205	2.5
365.10297	0.6
379.08475	1.0
391.08255	0.6
405.09564	3.7
406.10541	0.8
487.14056	1.1
488.13831	0.5
513.12256	0.6
531.12952	1.6
534.74750	0.5
541.13605	13.8
541.21887	0.7
542.13794	1.9
561.00824	0.5
567.15216	1.4
675.16907	0.7
693.18372	13.5
694.18427	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	693.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	14.1
70.93092	0.5
83.01390	1.5
93.03461	0.5
109.02958	2.8
114.15823	0.4
117.03467	0.6
118.10079	0.4
121.02953	1.4
123.04523	1.5
125.02458	100.0
126.02786	3.7
126.50080	0.4
133.02975	3.8
135.04573	0.6
136.20267	0.3
137.02475	2.8
139.04045	0.6
141.07158	0.4
147.04633	0.5
149.02449	0.5
150.03212	0.6
151.04045	0.6
157.06569	0.5
159.04544	1.5
161.02460	29.5
162.02953	1.3
163.00465	0.6
164.01154	3.1
165.01947	2.0
167.03516	1.7
169.01457	1.1
175.04057	0.7
177.02013	2.2
183.04489	0.6
199.04042	0.6
199.07654	0.4
201.05609	1.4
209.06012	0.8
213.05609	0.6
224.04825	0.9
225.05649	2.0
229.05035	0.7
241.05070	3.0
243.02859	1.0
243.04135	0.6
243.06633	9.5
245.04544	1.7
250.06128	0.5
251.07072	0.5
253.05081	4.2
254.05501	0.7
255.06638	0.7
263.03363	0.5
269.04550	1.4
269.08105	0.5
273.34576	0.4
277.05042	0.6
281.04651	1.1
281.08102	0.8
283.06003	1.3
287.05624	9.3
288.06049	0.8
292.07449	0.8
293.04846	0.6
293.08160	4.4
295.06140	4.2
307.06326	0.7
311.08990	0.5
333.07565	0.7
335.09201	4.1
361.07031	2.2
379.08432	1.0
391.08435	1.3
404.62216	0.4
405.09692	3.9
406.10794	0.4
487.14127	1.4
513.12006	0.9
531.12933	1.4
541.13544	16.3
542.13934	1.7
567.15131	1.4
611.69373	0.5
675.17267	0.9
693.18268	12.3
694.18121	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	693.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00338	0.6
68.89218	0.4
78.95901	0.8
79.01870	0.5
81.03458	2.4
95.05032	1.4
99.08166	0.5
108.42468	0.4
109.06625	1.2
111.04526	1.8
113.09677	0.6
123.08159	1.6
125.02442	4.5
125.06112	2.3
139.04041	2.3
147.08156	0.5
150.26180	0.4
151.07643	6.8
152.99565	0.6
163.00392	0.5
165.01942	0.5
165.09225	27.6
166.09560	1.5
177.01915	0.9
179.07135	0.9
179.10802	2.2
181.08704	2.9
191.07123	1.0
195.06631	22.9
196.06931	1.6
200.55125	0.5
205.01390	0.5
205.05093	1.5
209.08199	100.0
210.08527	5.4
212.26181	0.5
219.06628	11.0
219.13872	0.7
220.06981	0.8
223.09772	6.5
233.04608	2.9
233.08115	2.2
247.06120	32.3
248.06656	2.7
249.11287	1.3
249.79391	0.5
261.07745	4.6
262.08032	0.6
263.12930	5.5
287.09235	0.5
301.11002	0.9
370.14206	0.6
413.19873	0.9
431.20856	0.5
441.22656	0.6
442.23294	0.5
443.13510	3.3
443.24042	1.7
444.13495	0.8
445.22290	2.4
457.15054	45.2
458.15372	6.6
511.19778	2.8
512.20343	0.6
693.28918	6.5
693.39075	0.6
694.29175	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	693.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87714	0.5
61.04069	0.7
61.75239	0.5
66.23438	0.6
75.24374	0.6
81.03460	2.9
85.06606	0.7
91.70118	0.5
95.05029	0.8
97.80207	0.5
98.22559	1.1
98.61243	0.6
109.06605	1.2
111.04532	1.5
122.03766	0.9
123.08196	1.6
125.02467	4.4
125.06074	2.3
136.05313	0.7
139.03999	2.6
147.08159	1.2
151.00403	0.7
151.07637	6.8
165.09218	26.3
166.09586	1.2
175.07578	1.0
179.07092	1.1
179.10767	2.2
181.08711	3.1
190.99982	0.6
191.07091	1.2
195.06635	23.9
196.06917	0.8
200.90143	0.6
204.04274	0.8
205.04990	1.3
209.08203	100.0
209.61856	0.6
210.08537	7.0
219.06635	11.5
219.13899	1.2
220.07103	0.6
223.09798	7.8
233.04544	2.5
233.08228	1.3
247.06120	31.9
248.06607	3.5
249.11394	1.5
261.07666	6.7
263.12885	5.3
301.10852	0.8
347.54782	0.6
356.12253	0.6
387.58188	0.6
442.23044	1.0
443.13519	4.5
443.24146	1.5
444.13824	0.9
445.22256	2.3
457.15033	52.6
458.15414	7.1
511.19571	3.1
693.29089	8.7
693.39734	1.0
694.29980	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	693.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12029	4.8
52.01945	4.2
53.47054	4.3
56.01719	5.5
56.40590	4.6
57.88771	4.7
59.01389	10.4
61.98817	9.4
66.93161	4.7
69.40434	28.8
70.35331	6.0
76.87617	4.4
90.28249	4.4
106.98015	4.9
123.20980	6.4
167.75192	5.4
209.11827	100.0
210.12236	5.0
211.13388	89.1
212.13867	8.6
227.12939	26.6
235.08223	5.9
236.42999	5.3
236.90398	5.8
253.09378	13.3
295.22675	8.9
444.91672	5.2
447.22617	6.4
471.34702	10.3
558.39496	5.5
693.32684	27.9
694.32959	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	693.328
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80436	0.9
51.19168	0.7
57.03449	0.8
67.50040	0.7
69.23600	5.2
71.05017	0.8
79.96317	0.8
81.03449	2.2
83.01363	0.7
85.02953	0.9
85.06593	1.4
95.05035	3.0
97.02973	1.3
109.06599	2.3
111.04546	6.2
111.05206	1.0
113.02504	0.9
113.09763	4.2
123.08177	2.6
125.02462	3.8
125.06139	1.0
139.04027	3.8
151.07658	10.7
163.07626	1.2
165.09219	23.3
166.09509	1.4
177.05600	1.1
179.07179	1.1
181.08719	31.9
182.09082	1.2
183.06627	2.9
191.07179	2.0
195.06639	29.7
196.06900	1.3
198.82065	0.8
201.71796	0.7
203.10866	0.8
205.12341	1.2
207.06596	3.3
208.07466	1.0
209.08199	100.0
210.08521	5.6
219.06604	2.4
219.10393	2.0
221.08199	1.0
225.07715	5.4
241.73068	0.9
247.06021	4.8
247.09720	4.4
249.11325	10.5
261.11340	1.2
263.12903	1.8
279.12274	1.2
326.51413	0.8
355.11859	5.9
356.12024	1.1
413.19620	3.7
414.20184	0.9
427.83374	0.9
431.20535	0.9
443.24875	1.0
445.22440	1.2
457.14838	4.3
457.19299	1.6
457.23889	1.2
467.24481	1.5
483.23993	17.1
484.24292	3.1
511.23453	3.6
693.32825	8.8
694.34399	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3857
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.1
58.00080	0.2
59.01383	8.6
61.98823	1.0
69.03451	0.4
71.01366	0.7
83.05062	0.5
89.02445	0.6
97.02982	0.3
98.22650	0.6
101.02457	1.0
109.06586	0.8
113.02412	0.7
119.03501	1.2
125.02485	0.4
145.66028	0.4
159.36539	0.3
161.04601	0.3
169.01350	0.6
178.43698	0.3
186.55721	0.3
203.07240	0.3
218.56374	0.3
218.58453	0.3
287.20242	1.1
289.21765	1.0
337.25479	0.9
339.26917	0.6
341.24780	0.4
357.28058	5.8
358.28284	0.8
383.29590	0.5
397.31097	1.3
409.31186	0.6
425.30862	0.3
427.32199	2.1
428.32904	0.6
467.31879	0.4
471.31168	100.0
472.31534	17.6
485.32794	3.6
486.32919	0.5
487.34421	1.0
488.34784	1.4
513.32349	1.6
531.16949	0.3
693.39642	0.4
718.81354	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.385
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70145	0.9
58.00621	9.2
59.01379	12.5
60.99971	0.9
61.98830	14.6
68.82829	1.0
69.71802	3.9
71.01390	7.3
72.99331	1.2
73.02963	2.3
74.77695	1.0
75.00871	1.6
80.41123	1.0
83.01359	1.0
85.02953	2.8
89.02455	2.7
95.01361	1.1
96.96017	2.4
101.02453	4.2
104.43935	1.0
107.01395	2.2
109.02971	1.0
111.00917	1.2
113.02463	4.0
118.42979	0.9
119.03498	1.5
123.00912	2.2
123.04494	1.4
125.02475	8.3
135.04501	1.0
137.02463	1.1
139.03990	1.1
153.05595	1.5
155.10751	1.3
161.04599	2.6
164.04785	1.6
169.01405	8.5
171.04578	1.4
171.10190	0.9
172.03873	1.4
172.05313	17.3
177.01924	2.4
185.06113	2.8
205.28760	1.1
207.10222	1.3
209.11887	1.5
227.16747	1.1
357.27811	1.1
389.21820	3.6
427.32184	100.0
428.32553	14.9
451.32114	1.2
471.31107	22.6
471.37769	1.3
472.31516	3.9
481.33243	1.8
485.32999	5.8
486.32922	2.0
487.34161	2.3
488.34940	9.1
489.35916	2.6
513.32166	22.4
514.32776	3.0
516.31024	1.5
530.32660	4.1
531.33264	13.7
532.33704	1.3
541.22986	3.1
542.22858	1.5
543.32794	1.2
693.24078	12.0
693.38354	14.2
694.23956	2.6
694.39349	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	693.4507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45012	1.1
59.01371	1.4
69.58348	2.5
69.58733	2.3
73.87517	1.0
78.95911	100.0
96.96974	11.9
98.21839	1.6
134.98529	1.4
137.90356	1.2
140.76418	1.1
147.08899	1.0
150.98016	1.5
152.99602	80.1
153.50322	1.0
153.99956	1.5
208.57695	1.4
277.21750	57.2
278.22009	5.5
279.23315	87.5
280.23764	7.0
413.20941	22.8
414.21295	3.0
415.22589	35.2
416.22849	3.8
431.22083	6.7
433.23639	13.2
517.37024	1.2
693.45160	15.1
694.45752	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	694.274
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	12.6
69.66217	12.4
69.66612	23.9
69.93486	5.7
75.66611	6.5
78.95915	17.2
116.92908	6.1
152.99620	14.4
186.28522	6.0
205.15921	29.9
206.53220	8.5
233.34250	6.2
255.23250	6.2
279.23233	16.1
312.06149	5.9
382.16312	12.8
396.02328	6.3
415.22552	16.1
426.15179	100.0
427.15326	12.2
446.18573	6.2
694.27325	53.3
695.27814	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	694.3602
Annotation	Unknow
Peak:m/z	Relative Intensity
57.80442	0.2
58.56748	0.2
61.98834	100.0
99.31352	0.2
117.03476	0.3
118.98207	0.2
131.51923	0.2
132.02191	0.3
133.02972	6.9
134.03735	0.3
135.04558	2.2
137.02487	0.4
148.05351	0.2
161.02457	25.1
162.02863	1.1
165.27841	0.2
179.03557	0.5
225.98778	0.2
393.31873	0.3
401.63733	0.2
548.45532	0.2
587.27826	0.5
587.37421	11.1
588.37744	2.8
631.36401	38.1
632.36755	9.3
708.85242	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63169	0.4
61.98835	100.0
68.07867	0.4
71.95305	0.4
74.80814	0.4
90.64396	0.5
115.25364	0.5
133.02960	4.8
135.04559	1.2
161.02455	16.7
161.03743	1.0
162.02762	0.7
320.80899	0.6
504.75296	0.5
631.36456	42.9
632.36768	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	694.3605
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
71.28003	0.4
71.28400	0.4
75.53303	0.4
75.77593	0.4
77.80873	0.4
133.02980	4.2
134.03752	0.5
135.04541	1.4
137.02452	0.6
156.30969	0.5
161.02454	14.7
161.03751	0.9
162.02838	0.8
171.10262	0.5
181.08702	0.9
194.75851	0.4
199.09760	2.4
277.21838	1.6
279.23175	0.7
588.69525	0.5
609.46259	0.5
618.73926	0.5
631.36407	27.9
632.36737	7.4
695.39490	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.3602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03988	0.3
61.98834	100.0
69.17046	1.1
69.17451	0.8
73.47130	0.3
98.22578	0.7
116.92944	0.4
129.16171	0.3
130.62350	0.3
133.03012	0.6
152.99574	0.3
161.02512	1.1
195.22836	0.3
222.17342	0.3
225.00063	0.3
258.12100	0.3
631.36279	4.3
632.36560	0.7
702.94397	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.36
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16621	0.3
61.98834	100.0
69.08862	1.3
69.09271	0.6
73.32745	0.3
98.22552	0.6
109.91007	0.3
133.00754	0.3
133.02960	0.4
135.04556	0.4
147.55893	0.2
161.02478	1.5
207.81685	0.3
266.58731	0.3
587.37201	2.4
588.37317	0.4
631.36365	3.3
632.36969	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68750	0.1
57.31424	0.1
61.98835	100.0
63.58456	0.1
65.37038	0.1
78.95959	0.1
85.77214	0.1
133.02966	1.3
134.03816	0.2
135.04523	0.3
137.02548	0.2
154.86801	0.1
156.14731	0.1
161.02458	3.8
161.03755	0.2
162.02913	0.1
175.75209	0.1
179.03491	0.2
240.45442	0.1
242.17175	0.1
489.54276	0.1
556.78516	0.1
631.36407	14.0
632.36774	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	694.3812
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.7
58.00606	0.6
59.01384	3.6
61.64865	0.5
68.47067	0.5
70.82870	0.6
71.01378	1.2
84.02685	0.5
89.02457	1.0
97.02973	0.7
97.26627	0.5
101.02445	1.3
105.43151	0.5
111.00908	1.6
113.02451	1.1
119.03519	1.0
123.00921	0.7
125.02438	4.5
137.02419	0.8
151.00572	0.5
151.04048	0.6
169.01450	4.6
228.83882	0.6
229.05075	1.0
232.29921	0.6
241.44496	0.9
247.45734	0.6
313.05783	1.1
317.56082	0.6
334.62991	0.7
371.24506	1.1
381.27936	0.9
383.29709	2.5
383.87689	0.7
395.29694	1.0
415.32492	1.4
443.31732	2.3
473.32840	6.8
489.32263	100.0
490.32547	17.7
498.29544	0.7
503.33856	0.9
513.63989	0.6
531.33533	1.5
545.04700	0.7
635.89435	0.7
694.37872	2.5
695.12506	3.6
695.35126	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.3814
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01133	1.8
59.01385	18.3
61.98838	2.0
71.01386	14.2
73.02943	1.2
79.93589	1.2
83.01379	1.4
84.00911	1.4
85.02949	1.6
87.00845	1.9
89.02450	16.7
101.02424	7.0
111.00906	7.6
113.02443	4.5
116.92885	3.1
119.03509	9.4
123.04527	1.2
125.02460	4.7
135.50630	1.2
136.01685	1.8
139.87065	1.1
143.03598	1.9
149.04514	1.5
151.04050	1.3
153.50687	1.1
161.02461	1.3
161.04556	3.9
168.23828	1.3
169.01334	2.1
179.05626	11.6
188.57298	1.2
193.73424	1.2
285.77982	1.6
344.11844	1.5
489.32245	100.0
490.32559	15.8
491.32944	1.6
651.36353	1.5
694.21161	1.6
694.37549	2.4
695.25391	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	694.3813
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52668	0.5
55.10825	0.6
56.86803	0.6
58.00586	0.7
59.01374	1.1
61.98812	1.4
69.24818	3.7
71.01369	1.1
73.02955	4.6
85.02934	0.6
89.02433	0.8
92.34425	0.5
96.95999	0.6
100.05321	0.5
107.43800	0.5
111.00873	0.6
113.02443	0.9
119.03443	0.8
123.04501	0.6
125.02461	1.2
129.05956	0.5
137.02470	0.7
151.04137	0.6
161.02402	0.5
167.03540	0.5
169.01375	0.8
241.03601	0.6
269.10745	0.7
311.26257	0.5
330.76248	0.6
413.30450	0.6
445.33295	1.3
452.16916	0.6
489.32242	100.0
490.32599	18.6
503.33502	2.6
531.33374	5.3
532.33795	0.8
699.10950	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.3815
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.3
58.00584	0.9
59.01381	1.4
61.18496	0.2
61.98816	0.7
71.01369	1.0
73.02585	0.5
73.02953	5.6
74.23894	0.3
85.02953	0.6
92.06153	0.3
98.22571	0.4
101.02462	0.5
113.02433	0.6
119.03483	0.3
123.75996	0.3
125.02452	0.3
161.04556	0.3
162.93184	0.2
169.01431	0.6
169.77800	0.4
191.01280	0.3
191.05893	0.3
195.61946	0.2
310.94620	0.3
321.67041	0.3
383.29611	0.3
415.32614	0.7
427.31723	0.4
445.33490	1.2
473.33493	0.3
487.30685	2.6
489.32181	100.0
490.32547	17.6
503.33765	2.4
504.34052	0.4
531.33331	5.6
532.33679	1.1
576.90619	0.3
606.83435	0.2
690.47882	0.3
694.38696	0.3
695.21863	0.4
695.36273	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28677	1.0
57.03431	0.9
59.01384	8.8
61.98830	9.3
69.40620	5.9
71.01361	3.1
71.26408	0.9
73.02943	1.4
85.02936	2.0
89.02444	1.6
95.16674	1.2
101.02450	2.9
102.02792	1.0
111.00871	3.2
113.02446	2.4
119.03508	2.0
123.04562	1.3
125.02436	4.4
126.38767	1.1
127.30478	1.1
137.02519	1.0
161.02492	1.7
161.04463	1.2
169.01363	3.8
177.01903	1.8
209.08182	1.7
223.13559	1.1
270.64996	1.2
271.04633	1.4
278.16510	1.2
289.07220	1.4
324.00909	1.0
327.25266	2.5
371.24359	3.8
390.12515	1.8
427.32190	4.0
428.32492	7.4
472.31107	1.9
473.32886	12.8
489.36569	100.0
490.36722	21.0
531.33124	1.6
651.39331	1.3
652.41400	1.3
694.41425	3.8
695.21729	3.9
695.36804	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	695.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15724	0.8
63.58166	0.9
70.91787	1.4
81.03500	0.8
83.01385	1.1
85.06604	0.9
88.05417	0.7
92.82677	0.8
95.05018	3.1
102.96149	0.8
109.06561	1.5
111.04517	6.7
113.09677	1.2
115.95613	0.8
119.05028	1.9
123.08225	1.6
124.02160	0.8
125.02451	2.3
125.06100	2.0
135.08144	2.6
151.07655	11.4
163.11359	1.9
165.09206	8.5
175.29318	0.8
179.07162	6.2
181.08687	6.7
193.08702	3.5
195.04794	1.7
195.06624	35.0
196.07001	1.8
203.10808	3.1
203.71606	0.9
205.05122	1.1
205.12302	7.7
209.08188	31.5
210.08592	1.7
217.12311	2.9
219.06520	0.9
219.13947	3.9
221.08211	3.4
223.09796	1.4
225.73412	0.9
233.08139	1.0
235.09744	3.6
242.70036	0.8
245.11874	0.9
249.11328	100.0
250.11661	8.8
252.08524	1.0
263.12900	83.5
264.13327	6.8
303.15881	5.1
414.27621	0.8
431.20505	4.8
445.18146	1.6
446.86591	0.9
459.20331	11.3
460.20599	2.4
485.25479	2.7
499.26920	0.8
513.24603	1.5
695.34290	14.7
696.34680	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	695.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.5
65.00332	0.6
81.03455	3.9
83.01385	0.8
85.02973	0.6
99.08150	0.6
109.06610	0.6
113.09734	2.5
122.03703	0.4
123.08185	2.6
125.02460	4.5
125.06092	3.9
131.75101	0.4
136.05293	0.8
139.03993	0.7
144.10535	0.4
151.00360	1.1
151.03969	0.5
151.07646	2.1
165.09210	26.2
166.06395	0.5
166.09508	1.5
174.69034	0.5
179.07153	1.1
181.08713	14.9
182.09064	0.8
191.07185	1.6
193.08755	1.1
195.04836	0.5
195.06625	8.8
207.06575	1.0
209.08195	100.0
210.08527	6.0
219.13905	1.1
221.08139	0.7
233.08276	0.6
233.15392	0.8
249.11053	0.5
261.08115	0.5
263.12885	15.0
264.13248	1.0
277.14465	14.5
278.14700	1.0
286.35718	0.4
303.12396	0.5
331.19226	0.7
415.39874	0.4
434.29803	0.5
445.22342	35.4
446.22659	5.2
459.23904	28.5
460.24268	3.9
513.28735	2.1
514.28619	0.7
523.07770	0.5
695.38843	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	695.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84207	2.3
56.26563	2.6
61.98829	2.6
68.79896	2.6
71.10529	5.9
78.95911	51.9
81.03479	4.1
85.84460	2.7
96.96964	5.1
120.81748	2.5
125.02457	6.0
152.99580	35.1
154.51871	2.7
165.09216	28.6
181.08717	13.5
195.06609	6.2
209.08197	100.0
210.08551	5.2
212.38258	2.6
263.12872	12.4
264.13235	3.0
277.14554	12.7
277.21759	8.6
278.67279	2.5
279.23288	51.7
280.23602	6.7
281.24866	13.0
363.92413	3.1
415.22498	17.4
417.23996	5.2
433.23373	5.9
445.22339	25.5
459.23694	25.9
500.75412	3.1
526.62207	2.6
695.46918	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	695.38
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.4
62.21664	0.4
64.51106	0.4
65.00350	0.8
73.64703	0.4
76.86761	0.4
81.03461	3.5
83.01389	0.5
85.32505	0.4
99.08167	1.0
110.45708	0.4
111.04503	0.7
113.09725	2.7
122.03691	0.4
123.08167	2.4
125.02460	4.2
125.06075	4.3
136.05336	0.6
139.26974	0.4
147.08159	0.9
151.00369	1.2
151.07648	1.9
165.09216	29.1
166.06316	0.5
166.09503	1.1
172.48605	0.4
175.11475	0.4
179.07164	0.7
181.08720	13.2
182.09081	0.9
191.07161	1.6
193.08667	0.7
195.06633	8.0
209.08195	100.0
210.08508	6.5
219.13837	0.9
233.15546	0.7
263.10107	0.7
263.12881	14.5
264.13196	1.4
277.14447	11.9
278.14786	1.2
331.19098	0.8
445.22360	28.1
446.22699	3.6
459.23907	19.9
460.24213	3.2
513.28687	2.0
514.28644	0.5
695.37738	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.9
58.00572	0.2
59.01382	12.1
60.39577	0.1
61.98827	0.4
69.03442	0.2
71.01385	0.7
72.99312	0.2
84.17108	0.1
85.02945	0.3
89.02464	0.5
95.93442	0.1
101.02460	1.1
106.49149	0.1
109.06578	0.4
113.02481	0.7
119.03521	0.9
123.16162	0.1
139.15976	0.1
161.04515	0.2
194.22862	0.1
228.72902	0.2
371.24396	0.2
397.31223	0.9
399.32642	3.8
400.33099	0.7
439.32285	0.3
469.33353	0.2
473.32721	100.0
474.33078	18.5
484.14539	0.2
487.34518	1.1
488.34747	0.2
490.36569	0.3
515.33960	1.1
557.34674	0.2
695.40100	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.4015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56096	0.1
57.03435	0.6
58.00602	0.2
59.01381	12.2
60.33751	0.1
61.13710	0.2
61.98832	3.6
64.01530	0.1
69.03460	0.7
71.01389	0.9
73.02930	0.6
81.47462	0.1
83.06139	0.1
85.02955	0.2
89.02443	0.6
95.01410	0.2
101.02439	1.1
108.94139	0.1
111.00841	0.2
113.02441	0.5
119.03511	1.0
124.92466	0.1
129.85817	0.1
134.36015	0.1
139.03934	0.2
143.03474	0.2
160.01746	0.2
161.04599	0.2
161.70309	0.1
166.62306	0.1
169.60162	0.2
177.01950	0.2
213.96999	0.1
229.32008	0.1
245.95331	0.1
259.47885	0.2
297.49445	0.2
301.09302	0.2
373.26053	0.3
427.32193	0.4
429.33725	1.6
430.34183	0.3
432.32135	0.3
469.33087	0.4
473.32706	100.0
474.33054	19.3
487.34375	1.4
488.34503	0.3
489.32321	0.2
490.32742	0.2
515.33606	0.6
533.31506	0.4
622.16199	0.2
635.37531	0.2
690.21588	0.2
695.38611	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.5
57.07135	0.4
59.01102	0.6
59.01385	11.7
61.98821	1.0
71.01369	1.0
89.02444	0.6
101.02442	1.3
113.02444	0.7
119.03483	0.9
161.04567	0.3
164.29395	0.4
172.05286	0.5
179.05511	0.4
215.04512	0.4
309.24304	0.5
327.25418	2.5
343.11978	0.5
353.23553	0.4
361.38269	0.4
371.24396	3.1
372.24524	0.7
429.33923	1.5
473.32733	100.0
474.33105	20.9
474.39969	0.4
487.34366	0.9
515.33826	0.6
533.34033	0.5
635.37366	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37711	0.2
59.01386	1.2
60.01702	0.2
61.98836	100.0
62.98543	0.2
71.01392	0.5
85.03009	0.2
95.83978	0.2
98.21707	0.3
101.02467	0.3
113.02480	0.3
116.80074	0.2
119.03532	0.3
123.04552	0.2
125.02515	0.2
130.83194	0.2
137.02472	0.2
177.01970	0.2
179.05666	0.2
335.10318	0.2
413.85834	0.2
459.82639	0.2
471.31226	0.4
472.31641	0.7
473.32474	1.6
474.32965	3.5
475.34485	2.4
487.34485	0.7
488.34918	0.8
491.33807	0.3
516.33698	0.2
653.42834	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
57.80671	0.2
61.98835	100.0
69.20660	0.6
69.21078	0.6
72.36682	0.2
77.39381	0.2
88.38705	0.2
123.67516	0.2
133.02994	0.7
134.15968	0.2
135.04550	0.3
151.33893	0.2
157.19156	0.2
160.79604	0.2
161.02469	1.3
165.40979	0.2
179.03662	0.2
201.39865	0.2
311.10565	0.2
345.20749	0.2
363.30765	0.2
417.87079	0.2
571.37909	0.5
578.97961	0.2
591.30090	0.2
615.37152	0.3
633.37793	3.9
633.47498	0.2
634.38763	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75027	0.3
59.67453	0.3
61.98834	100.0
65.41924	0.3
69.17098	2.4
69.35070	0.3
70.43572	0.4
72.57456	0.3
89.64279	0.4
97.70955	0.4
101.20477	0.4
133.02977	4.1
134.03796	0.6
135.04573	0.7
161.02457	14.0
162.02824	0.5
164.88199	0.4
172.54437	0.4
191.07239	0.3
266.76471	0.4
311.70941	0.4
633.37994	28.7
634.38367	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69866	0.3
54.98743	0.3
56.50097	0.4
61.98835	100.0
69.65390	1.8
77.34659	0.3
98.22490	0.7
102.92793	0.3
125.09605	0.4
133.02983	2.0
135.04587	0.4
152.32550	0.4
161.02458	8.3
162.02789	0.5
244.36905	0.4
505.87094	0.4
528.32544	0.4
589.38800	2.9
590.39478	0.7
633.37964	20.1
634.38275	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	696.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98645	0.4
61.98834	100.0
62.68594	0.3
69.22463	2.4
133.02957	5.1
134.03754	0.6
135.04541	2.1
137.02412	0.4
144.35324	0.3
161.02454	16.0
162.02892	0.7
179.03525	0.4
308.80508	0.4
492.83118	0.4
549.78229	0.4
571.38275	0.5
633.38007	35.3
634.38239	8.1
679.44171	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
64.69265	0.4
69.07386	0.4
70.63743	0.5
70.64074	0.5
71.29832	0.4
76.00051	0.4
76.48826	0.3
103.08649	0.3
106.08205	0.4
110.81033	0.4
122.84718	0.4
133.02959	4.8
134.03770	0.7
135.04536	2.0
137.02464	0.5
161.02455	17.6
162.02829	0.9
181.38033	0.4
205.89557	0.4
216.92352	0.3
303.36618	0.4
589.39435	2.1
590.39417	0.9
633.37982	38.2
634.38281	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	696.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05360	0.3
55.53514	0.3
57.17011	0.3
61.98836	100.0
62.98542	0.4
75.01042	0.3
76.12350	0.3
78.40437	0.3
81.81167	0.3
88.79217	0.3
119.44164	0.4
133.02968	5.5
135.04568	1.2
137.02528	0.6
142.69069	0.3
152.40482	0.3
161.02466	16.9
162.02805	0.5
164.49181	0.3
179.03522	0.4
186.78752	0.3
253.37747	0.3
351.58646	0.3
371.88181	0.4
589.39081	9.3
590.39459	2.0
629.86694	0.4
633.38049	31.8
634.38385	7.0
696.36877	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64907	0.1
61.98833	100.0
78.95914	0.2
87.93066	0.1
98.22646	0.3
117.54329	0.1
131.22733	0.1
133.02998	0.8
135.04553	0.2
152.52530	0.2
161.02470	1.9
161.82776	0.1
162.02867	0.2
169.05086	0.3
181.08694	0.3
195.06776	0.1
197.12088	0.2
199.09853	0.2
200.10216	0.2
207.06570	0.1
228.79044	0.2
276.73221	0.1
277.21912	0.5
279.23465	0.2
461.25577	0.2
589.38733	0.1
606.37445	0.2
633.38043	3.4
634.37848	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3758
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89100	0.3
58.41620	0.3
60.24595	0.3
61.98836	100.0
78.10050	0.3
78.95886	0.3
95.04152	0.3
115.65358	0.3
133.03000	0.8
134.03632	0.3
137.02419	0.3
161.02481	2.3
228.92043	0.4
255.23265	0.3
298.81781	0.3
433.15924	0.3
438.20645	0.3
522.23737	0.4
633.37988	7.2
634.37933	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57642	0.3
61.98833	100.0
71.57698	0.3
77.69273	0.4
86.97101	0.3
88.98807	0.4
98.22542	0.8
133.02971	2.3
134.03638	0.5
135.04544	1.0
136.71396	0.4
137.02554	0.5
161.02457	10.5
161.03748	0.6
162.02789	0.4
173.56699	0.4
178.02664	0.4
180.55869	0.4
185.48621	0.4
229.92393	0.4
488.45422	0.5
633.37982	20.7
634.38269	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	696.376
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69291	1.0
59.40705	1.0
61.98836	100.0
69.86631	1.1
78.36427	1.0
93.37790	1.0
116.92837	1.1
133.02975	8.4
151.04050	1.4
177.01952	1.2
193.28955	1.1
299.10776	1.1
589.38873	4.6
633.38074	24.3
634.38776	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	696.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19357	0.3
61.98835	100.0
98.22581	0.4
105.96437	0.3
113.90873	0.3
133.03018	1.4
135.04564	0.6
140.51746	0.3
161.02441	4.0
161.03539	0.4
168.87860	0.3
262.01175	0.3
295.85138	0.3
518.82892	0.4
633.37897	8.4
633.47302	0.5
634.38489	2.4
694.56659	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3804
Annotation	Unknow
Peak:m/z	Relative Intensity
57.55980	1.7
59.01380	17.9
61.98834	100.0
71.01390	15.0
85.02963	3.3
87.00883	2.3
89.02457	14.8
95.01352	2.3
97.02951	4.0
101.02453	11.0
113.01696	1.8
113.02465	7.2
116.92894	2.7
119.03528	5.0
125.02454	7.1
143.03497	3.7
149.71721	1.8
161.02460	6.7
161.04521	4.0
179.05643	4.2
235.08240	7.3
255.23320	48.0
256.23572	4.4
301.47745	2.3
397.13510	61.2
398.13983	5.2
415.14597	18.9
489.67560	1.9
554.45831	2.1
589.38385	2.3
633.38062	12.9
634.37860	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	697.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	13.7
59.01377	2.5
67.01907	1.0
71.01390	1.9
71.29898	0.9
71.66841	0.8
71.79424	0.9
81.03461	1.8
83.01415	4.3
85.02927	1.0
87.00868	1.2
87.44234	0.8
91.01900	0.9
93.03474	2.5
95.05058	1.3
96.95998	1.8
97.02962	2.5
102.05622	1.3
107.05036	1.9
108.02226	1.1
109.02962	11.6
111.00885	8.8
121.02981	2.4
123.04530	7.7
125.02451	100.0
126.02781	2.7
133.02985	3.9
135.04553	2.7
137.02444	14.3
139.04018	1.8
145.02919	4.2
146.03769	0.8
147.04465	1.1
149.02435	4.1
149.86110	0.9
150.03247	1.1
151.04019	7.2
159.04472	4.4
161.02464	23.3
161.06070	4.3
162.03185	1.6
163.00389	1.1
163.04031	3.2
164.01186	3.7
165.01878	5.0
167.03453	2.4
169.01419	0.9
173.06146	1.2
175.04002	11.6
177.01915	10.1
179.03539	3.4
183.04494	1.1
185.06079	1.9
187.03964	6.5
188.04814	1.1
190.02692	0.8
199.03983	1.6
201.01968	1.2
201.05589	2.0
203.03535	1.0
203.07204	5.1
205.05017	4.2
209.06102	0.9
211.04131	2.5
215.03496	1.3
217.05081	2.8
219.02994	2.0
225.05606	1.2
227.03499	2.7
227.07086	1.5
229.05042	3.5
230.02211	1.0
241.05136	1.6
243.03038	4.4
243.06596	1.2
245.04674	5.1
245.08214	8.4
253.05074	2.3
255.03033	7.1
256.03741	3.3
257.04562	1.5
269.04456	2.5
271.06125	8.7
273.04065	4.6
281.04498	4.0
283.02542	1.1
285.04086	4.6
285.07031	0.9
287.05566	7.6
289.07187	39.0
290.07520	3.9
299.05573	3.4
321.07690	1.7
329.06433	1.1
339.08701	2.3
363.08502	1.2
381.09601	1.8
389.06799	3.3
407.07709	63.2
408.07874	8.9
409.09204	1.9
425.08752	7.3
433.09354	4.7
434.10184	1.0
451.10324	13.5
452.10809	2.4
527.09723	2.4
545.10730	8.0
559.13129	1.8
577.13599	7.9
578.13751	1.5
697.15607	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	697.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50490	0.7
59.01382	3.3
61.98842	3.7
62.31306	0.6
70.60883	1.4
76.78609	0.7
94.95024	0.6
96.96010	1.9
123.04420	0.9
125.02426	0.8
146.05739	0.7
152.68645	0.8
179.10771	0.8
217.56393	0.6
218.12921	0.7
242.99295	0.7
247.09920	0.9
269.98065	3.8
270.98871	34.0
271.99197	2.3
283.99640	1.5
285.00317	5.6
286.01099	1.7
297.97559	8.7
298.98352	54.8
299.98975	9.9
312.99939	14.3
314.00711	75.9
315.01236	10.4
316.01813	0.8
328.02231	4.0
329.03061	100.0
330.03394	9.8
339.01703	0.9
367.14130	0.9
409.82544	0.7
442.73907	0.7
556.05328	0.9
665.13934	0.9
697.17780	15.3
698.18164	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	697.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.2
68.99919	5.7
81.78786	0.7
83.86279	0.6
85.06573	0.9
87.04507	2.4
109.02980	0.8
109.06599	7.1
111.04537	11.1
113.09747	5.0
123.04538	0.9
123.08103	0.8
125.09754	1.2
137.02504	0.7
138.03241	0.8
140.91447	0.6
151.07661	1.2
153.05577	3.4
163.11320	1.3
165.01869	1.2
165.05580	0.7
165.09178	2.0
166.02692	4.5
177.09216	0.6
179.10847	4.2
181.08716	32.9
182.09077	1.2
183.13911	0.9
191.07228	0.7
195.06613	2.3
206.09540	0.9
207.06625	3.2
207.10277	1.2
208.07408	15.9
209.08139	4.0
219.06723	1.3
221.11818	3.1
235.13898	0.7
247.09760	6.8
262.12088	1.2
265.10806	2.2
275.16492	0.9
277.10773	0.7
307.19116	1.8
349.20261	3.0
377.19766	1.9
383.61649	0.7
391.21664	0.9
461.25485	100.0
462.25824	15.3
515.30157	27.9
516.30444	5.5
697.39294	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.396
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.6
69.12589	2.6
69.12997	1.0
83.05048	0.6
83.82957	0.5
87.04510	0.9
98.22543	0.8
98.26593	0.4
99.71596	0.4
107.08672	0.6
109.06618	5.2
109.95978	0.4
111.04529	12.3
111.08172	1.3
113.09735	5.3
121.22868	0.4
123.08184	1.2
139.04022	0.6
143.27907	0.4
153.05579	2.4
153.09213	1.9
161.09750	0.9
163.11304	13.1
164.11609	0.6
165.01974	0.7
165.09232	1.3
166.02687	1.5
166.06389	0.6
169.12381	4.4
177.09273	2.0
179.10777	1.2
181.08722	32.5
182.09013	1.8
207.06641	1.0
208.07375	3.1
209.08217	3.0
210.05376	0.6
221.08243	2.4
224.06964	0.4
235.09636	0.5
237.15021	1.6
239.16487	3.7
247.09676	2.2
263.12921	0.4
269.19327	0.5
305.21353	0.5
391.21313	2.0
417.26791	0.6
461.25488	100.0
462.25851	16.3
471.31204	0.5
472.18991	0.5
515.30170	26.3
516.30493	5.6
540.02228	0.5
697.39191	1.9
698.40259	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92990	0.6
57.03443	1.5
68.44673	0.5
68.97373	0.6
68.97787	4.4
83.05035	0.7
85.06583	0.6
85.44458	0.5
87.04523	0.9
98.21715	1.0
101.53568	0.5
109.06607	3.2
111.04535	8.9
112.04904	0.6
113.09740	6.6
121.05782	0.4
121.06581	2.5
125.06166	0.6
125.09752	0.5
138.06854	0.6
140.27785	0.5
140.73087	0.5
153.05576	2.0
153.09189	0.6
159.08244	0.5
161.09763	1.4
163.11316	9.8
164.11650	0.7
165.09193	1.1
166.02722	1.7
166.06342	0.7
177.09210	7.2
179.07207	1.0
179.10779	1.0
181.08720	32.9
182.09061	2.0
183.13959	1.3
193.08743	0.7
207.06664	4.4
208.07430	3.9
209.08182	1.9
210.05397	0.5
221.08188	6.4
221.15544	1.3
222.08765	0.7
231.13858	0.9
233.08260	1.1
239.16508	1.3
247.09766	1.1
272.58417	0.5
275.12668	0.8
291.12479	0.7
307.15240	0.5
307.19025	0.8
318.91068	0.5
386.62793	0.5
460.24008	0.8
461.25504	100.0
462.25793	14.0
498.12869	0.5
515.30182	24.1
516.30444	4.3
693.15656	0.6
697.38239	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	4.0
62.30708	0.7
67.67200	0.6
69.27585	2.0
69.27995	2.0
71.04987	0.7
83.05022	0.7
85.02954	1.2
85.06578	2.2
87.04529	1.8
98.22587	1.3
107.04999	0.9
109.02956	1.7
109.06607	6.3
111.04531	13.1
111.08176	2.2
113.09731	7.2
121.06590	1.6
123.08194	1.0
125.09743	1.7
135.08205	1.3
137.02472	0.8
151.03940	0.7
153.05617	3.8
153.09248	1.4
161.09740	1.4
163.11290	11.3
165.09198	1.2
165.12857	0.9
166.02725	1.7
169.05049	2.1
169.12326	1.1
177.09200	9.3
179.07050	1.2
181.08720	36.1
182.09061	1.2
183.13911	3.8
190.74187	0.6
193.08728	0.7
193.12241	0.7
195.06638	0.9
203.14355	0.9
205.15916	0.8
207.04863	0.7
207.06572	3.8
208.07420	3.5
209.08186	2.9
221.08127	5.3
222.08615	0.6
224.06935	2.1
229.15816	0.6
231.13902	1.4
233.08171	1.1
233.15572	1.3
237.15007	1.5
239.16402	4.2
247.09798	1.6
260.65964	0.7
261.64539	0.7
270.80884	0.7
391.21277	0.9
461.25482	100.0
462.25818	15.5
515.30188	22.5
516.30286	4.7
610.06445	0.7
697.38947	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10022	0.6
55.01878	2.7
57.03454	1.9
59.01382	50.4
59.56006	0.8
61.98823	2.0
66.30057	0.7
71.01383	28.3
71.29491	1.0
72.99321	1.3
73.02946	10.7
83.01402	5.2
85.02959	15.9
85.03472	0.8
87.00889	2.5
87.55490	0.7
89.02472	4.3
95.01403	3.0
97.02981	1.0
99.00873	5.3
101.02444	24.3
102.02766	0.7
103.90422	0.7
104.07201	0.7
109.02983	1.0
111.00886	3.9
113.02460	14.2
119.03508	1.5
123.00903	0.8
123.04534	1.9
125.02465	6.7
137.02441	0.9
140.24205	0.8
143.03490	2.0
150.03267	1.2
159.02998	2.2
161.02505	1.1
161.04559	13.9
165.02031	0.9
165.05577	2.4
168.00575	0.9
169.01463	5.2
179.03548	1.3
209.08092	0.6
372.67819	0.8
373.26050	4.4
383.24103	0.8
475.34412	9.3
476.34753	1.6
483.08365	0.8
483.18646	0.9
487.05060	2.0
489.32391	6.8
490.32480	1.4
637.39557	100.0
638.39948	24.7
679.36572	0.9
685.25629	0.8
697.13141	3.8
697.36798	1.7
698.14526	1.4
721.85852	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55513	0.5
53.92643	0.5
59.01382	27.2
60.01678	0.5
60.17940	0.5
61.98832	2.3
69.04157	4.0
71.01378	3.0
73.02955	0.7
85.02950	1.0
89.02467	1.0
93.03495	0.6
95.12672	0.5
96.96020	0.5
101.02450	1.7
105.03320	0.4
105.64001	0.5
105.64716	0.5
111.00846	1.0
112.18005	0.5
113.02453	1.4
119.03510	1.2
125.02496	1.0
161.04622	1.4
163.18877	0.5
243.48590	0.5
270.98761	0.5
289.07138	0.9
298.98486	0.6
300.29254	0.6
312.99884	0.6
318.73709	0.5
329.03110	1.5
345.40451	0.5
365.95563	0.6
373.26062	0.7
415.32306	1.1
431.31711	4.2
432.32156	0.7
475.34961	100.0
476.35306	17.1
489.31696	4.2
490.32483	0.7
492.34097	0.7
517.31543	3.5
615.29681	0.5
637.39252	2.3
645.67401	0.6
697.41388	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36989	0.2
59.01382	17.9
61.98817	0.5
69.12971	1.5
70.20905	0.2
71.01399	1.1
76.24966	0.2
85.02947	0.3
89.02451	0.9
101.02435	1.1
111.00864	0.6
113.02471	0.6
119.03519	0.7
125.02470	0.4
127.12223	0.2
137.02490	0.5
139.62700	0.2
155.03352	0.2
161.04527	0.2
169.01424	0.2
179.05542	0.2
185.11780	0.4
247.02470	0.2
301.20154	0.4
313.52039	0.2
341.11066	0.4
355.24863	0.6
371.24356	0.4
373.25983	4.9
374.26285	0.6
383.29593	0.3
385.30969	0.5
397.31125	0.3
399.32874	0.5
415.26840	0.3
475.34302	100.0
476.34637	18.8
489.31879	0.8
489.36319	0.9
517.35571	0.6
535.32849	0.5
637.39417	0.7
690.99304	0.2
697.42358	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29884	0.2
58.00605	0.3
59.01381	16.2
61.98835	4.5
69.00011	2.0
71.01382	0.8
83.01412	0.2
85.02959	0.4
88.98817	0.3
89.02451	0.7
93.91122	0.2
95.91232	0.2
101.02458	0.8
113.02466	0.5
115.18706	0.2
119.03502	0.7
123.04570	0.2
125.02498	0.3
127.82217	0.2
133.02940	0.2
149.02423	0.2
161.02371	0.3
161.04562	0.3
164.78015	0.2
169.01469	0.2
191.05605	0.3
193.08687	0.6
209.11850	0.6
227.12810	0.2
233.04698	0.4
315.08798	0.2
373.25800	0.2
413.21899	0.2
415.32288	0.7
429.33838	0.3
475.34293	100.0
476.34671	16.5
481.18573	0.2
489.35596	0.7
501.89322	0.2
517.35284	0.3
576.65369	0.2
637.39148	1.1
653.22021	0.5
654.21753	0.2
697.41467	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.4181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	35.3
60.01707	0.7
61.98838	24.2
71.01392	4.2
71.42730	0.6
72.99337	0.8
73.02950	0.8
77.13357	0.6
85.02943	1.1
88.97721	0.6
88.98824	1.6
89.02452	4.0
89.51360	0.6
92.67307	0.6
101.02464	1.9
108.02173	0.8
109.02926	0.8
113.02449	1.7
116.92874	3.0
119.03525	1.4
121.02977	1.3
123.00907	0.6
123.04540	1.0
125.02452	1.9
134.03717	0.8
136.01622	0.9
137.02469	1.6
138.70447	0.6
149.02417	1.4
149.06107	0.6
151.03992	2.0
153.02087	0.8
159.47105	0.6
161.04559	1.2
164.04834	1.4
169.01453	1.1
177.02028	0.6
177.05672	0.7
179.05605	1.4
179.07124	1.5
193.01447	1.1
193.05019	1.5
195.06688	0.8
211.13452	1.2
232.74629	0.6
271.02570	0.7
323.00018	0.7
329.14032	1.1
355.24884	2.8
357.26874	0.7
367.10373	0.8
475.34341	100.0
476.34726	17.7
476.41669	1.0
493.34698	0.7
519.23901	0.8
535.18872	1.0
535.26221	0.8
637.40649	1.5
697.40125	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	698.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15209	0.1
57.61577	0.1
59.01377	0.2
61.98833	100.0
62.98558	0.1
71.28551	0.3
106.65969	0.2
108.92548	0.2
117.69968	0.2
123.04561	0.2
133.03015	0.4
141.22786	0.1
161.02502	1.1
292.85431	0.1
301.53186	0.2
337.03271	0.2
635.35962	2.2
636.36328	0.3
698.39581	0.3
699.28174	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51362	0.2
58.82297	0.2
61.98837	100.0
68.31966	0.2
68.97224	2.2
102.25872	0.2
110.27199	0.2
133.02986	3.8
134.03679	0.3
135.04555	1.1
137.02461	0.3
161.02466	10.3
162.02870	0.6
171.10374	0.3
193.43584	0.2
265.46774	0.2
296.64438	0.3
323.84183	0.3
327.56268	0.2
591.36835	0.3
600.56891	0.3
635.35950	19.8
636.36230	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	698.3761
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.3
61.01826	0.1
61.98833	100.0
62.98531	0.2
62.99245	0.1
68.16303	0.1
71.01397	0.1
73.02954	0.2
90.35805	0.1
137.02492	0.1
173.00728	0.1
209.12051	0.1
229.97342	0.1
245.68271	0.1
269.70096	0.1
284.46179	0.1
329.03058	0.1
413.83514	0.1
473.32819	0.4
474.33060	1.0
475.33368	1.0
476.33707	1.4
490.35809	0.1
518.34900	0.1
698.38086	0.3
699.26532	0.1
699.38318	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	698.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38990	0.1
59.01372	0.4
61.98833	100.0
62.98532	0.2
66.95872	0.1
69.00842	0.5
69.01262	0.4
71.01396	0.2
80.23377	0.1
85.02949	0.2
88.80074	0.1
88.98830	0.2
101.02488	0.1
108.02171	0.1
123.04587	0.2
125.02460	0.2
135.04541	0.2
137.02422	0.1
139.14894	0.1
160.95665	0.1
161.02467	0.3
168.36688	0.1
169.01416	0.2
179.03543	0.1
281.24014	0.1
315.05026	0.1
317.33691	0.1
374.26669	0.1
375.27863	0.1
414.61224	0.1
473.32944	0.3
474.33118	0.8
475.33273	0.6
476.33813	1.0
477.32556	0.3
547.14325	0.2
667.69324	0.1
698.20728	0.1
699.37384	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	698.3766
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.8
61.98833	100.0
62.44672	0.1
62.98542	0.2
63.95165	0.1
68.76561	0.1
69.67989	0.1
71.01398	0.4
72.99298	0.2
73.69345	0.2
88.98801	0.3
89.02470	0.2
90.62765	0.2
93.03455	0.2
101.02467	0.3
101.96687	0.2
108.02193	0.2
109.02980	0.1
123.00782	0.2
135.04568	0.3
137.02509	0.7
139.04034	0.2
151.04001	0.2
158.27895	0.2
178.02708	0.2
286.35187	0.2
332.19699	0.1
473.33099	0.5
474.32846	1.4
475.33301	1.3
476.33783	1.8
477.33032	0.3
489.32443	0.2
490.32690	0.2
501.32172	0.8
588.33942	0.2
651.24890	0.2
678.69293	0.2
699.33588	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.3762
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02024	0.1
57.27484	0.1
59.01369	1.0
60.45845	0.1
61.98831	100.0
62.99252	0.1
71.01398	0.5
78.16615	0.1
85.02982	0.2
88.98802	0.3
89.02454	0.3
93.03474	0.3
101.02484	0.4
108.02224	0.2
113.02484	0.2
116.92877	0.2
123.04526	0.2
125.02468	0.3
134.03728	0.1
135.04556	0.2
136.01628	0.1
137.02435	0.9
139.04131	0.2
151.04041	0.2
158.28787	0.2
160.01744	0.2
161.02466	0.2
163.04118	0.2
179.03558	0.3
193.05069	0.2
228.29517	0.1
231.51480	0.1
289.07071	0.1
393.22955	0.1
448.86057	0.1
473.33087	0.4
474.32980	1.3
475.33255	1.1
476.33887	1.5
477.32574	0.4
490.33008	0.2
501.32242	1.5
507.37411	0.2
618.49768	0.2
699.22852	0.3
699.34143	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	698.3912
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00859	0.1
61.98834	100.0
62.98535	0.2
70.08752	0.1
72.99327	0.1
76.42424	0.1
77.60201	0.1
89.02491	0.1
98.22618	0.2
115.27550	0.1
133.03011	0.6
135.04515	0.2
161.02449	1.4
161.03564	0.1
178.99930	0.1
217.42722	0.1
255.23431	0.2
262.62256	0.1
397.13956	0.4
404.48196	0.1
635.39496	4.9
636.39941	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.3914
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
63.56876	0.3
64.54305	0.2
69.15119	0.4
69.15523	1.5
72.92944	0.3
73.71149	0.2
95.40011	0.3
133.03004	0.8
145.02956	1.2
146.03305	0.3
161.02478	1.5
187.17500	0.2
286.98520	0.3
511.39554	0.3
519.90204	0.3
635.39447	6.2
636.39905	1.7
655.36505	0.7
698.38916	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40530	0.2
53.20861	0.3
54.08322	0.3
61.98835	100.0
62.98525	0.5
65.64693	0.3
69.91827	0.8
69.92227	0.5
74.28149	0.2
74.40774	0.3
78.91898	0.4
79.48074	0.2
98.22527	0.3
133.03018	0.9
134.03769	0.4
135.04570	1.0
137.02472	0.7
161.02461	2.9
184.69562	0.3
200.42012	0.3
281.86945	0.3
390.73236	0.3
396.41809	0.3
635.39502	9.8
636.39850	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40530	0.2
53.20861	0.3
54.08322	0.3
61.98835	100.0
62.98525	0.5
65.64693	0.3
69.91827	0.8
69.92227	0.5
74.28149	0.2
74.40774	0.3
78.91898	0.4
79.48074	0.2
98.22527	0.3
133.03018	0.9
134.03769	0.4
135.04570	1.0
137.02472	0.7
161.02461	2.9
184.69562	0.3
200.42012	0.3
281.86945	0.3
390.73236	0.3
396.41809	0.3
635.39502	9.8
636.39850	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55555	4.3
57.03444	11.6
73.54589	5.5
88.98802	7.6
97.07638	4.8
100.84401	5.1
109.02974	17.0
121.02946	8.2
123.00880	7.1
125.02462	100.0
134.12071	5.6
137.02457	22.6
139.04033	8.6
149.02437	8.7
151.04024	7.7
157.09395	5.9
165.01900	7.6
166.03139	5.2
167.03522	25.0
177.01959	68.2
179.03500	8.1
203.34749	4.7
217.05020	6.0
243.03052	10.7
255.03030	17.5
256.03510	6.1
273.04025	8.0
283.02402	12.6
297.04089	9.6
303.05090	10.5
305.06625	41.1
423.07245	69.2
441.08490	33.5
456.82227	6.1
471.79160	5.6
483.09430	12.0
609.12347	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	699.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58879	1.4
57.03442	1.9
61.98815	5.1
67.01904	2.0
68.99812	1.9
69.12676	8.6
69.13092	2.9
71.01387	6.5
81.03512	2.1
83.01398	5.6
85.02959	1.9
88.51264	1.5
93.03437	1.8
95.01411	2.8
96.96019	4.3
96.99248	1.6
101.02439	3.3
107.01405	2.1
108.02190	4.5
109.02995	5.9
111.00906	2.7
116.92937	1.8
121.02979	11.6
122.03824	1.6
123.00915	12.1
123.04588	2.3
125.02475	5.8
125.99604	1.9
127.00456	2.2
127.26842	1.7
135.04510	4.8
136.01675	47.9
137.02466	19.7
138.03244	5.1
139.00375	4.9
139.04018	2.5
145.02983	1.8
146.57118	1.5
150.03333	1.8
151.04021	46.8
152.04311	2.3
153.02025	2.6
153.05606	11.3
155.03468	3.0
161.02408	3.1
166.99879	7.9
168.00647	3.3
169.01358	2.1
175.03995	3.0
176.04706	2.3
177.01991	1.7
181.01398	7.6
181.05008	2.0
182.02187	14.2
183.02974	10.5
191.07263	2.3
196.03836	2.4
197.04567	29.8
198.04860	3.0
225.04082	3.2
300.99835	1.9
311.04263	1.9
311.07840	2.1
312.10013	3.4
313.10593	2.2
326.06522	5.7
327.07104	2.7
327.12405	8.5
341.08777	100.0
342.09454	6.5
343.11768	11.8
357.13403	16.6
396.58228	1.9
699.22986	48.7
700.23303	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	700.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81869	1.1
59.01379	5.8
61.98837	19.1
62.91444	1.3
64.15626	1.2
69.27479	9.2
71.01379	4.3
80.02684	1.3
81.03491	2.5
83.05038	4.1
89.02457	2.5
95.05036	1.7
101.02483	1.9
108.02199	2.9
116.92848	1.5
121.02930	1.7
123.04557	3.5
125.09737	1.8
135.04568	2.0
137.02313	1.4
139.03960	1.4
149.02463	2.3
151.04001	1.9
161.04622	2.1
163.03944	1.3
163.11299	3.2
165.12862	2.8
171.10271	1.8
183.13921	5.0
193.05051	2.9
209.11848	100.0
210.12204	7.3
211.13408	67.9
212.13724	5.2
227.12926	15.0
253.09276	8.4
416.88934	1.5
445.20770	2.2
447.22000	2.5
488.84662	1.4
700.24335	1.9
701.25769	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	701.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
64.43652	0.8
96.96022	4.6
98.84106	0.8
107.01428	1.1
109.02946	3.2
114.70751	0.9
121.02970	1.2
125.02445	3.8
135.04506	1.5
137.02429	3.4
150.03215	1.8
151.04057	0.8
153.05544	1.0
155.46054	0.8
159.04485	1.3
165.01907	1.1
165.05444	1.1
167.03496	0.9
169.01434	1.5
177.01891	1.1
181.05032	0.8
195.06613	1.7
200.00998	1.0
219.02960	1.5
234.05382	1.3
241.05135	1.9
242.99448	1.6
243.06734	1.5
244.00038	1.1
255.06822	1.0
270.98828	14.5
271.99500	1.3
279.08786	2.0
285.00357	1.0
298.98331	14.3
299.99121	100.0
300.99634	10.8
311.07483	0.9
312.99936	2.0
314.00717	7.6
315.01477	93.5
316.01736	8.3
344.12396	1.3
359.15131	5.3
366.28531	0.9
477.07162	1.9
501.32291	1.4
501.52295	0.9
701.17194	46.3
702.17596	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	701.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01917	0.7
57.03454	0.7
59.01383	55.4
69.03462	0.9
69.36640	5.1
70.13226	0.7
71.01381	5.3
71.05028	1.9
72.97498	1.5
72.99299	2.3
73.02934	0.8
75.00869	3.4
83.01392	1.5
85.02942	5.0
87.00885	1.9
87.04519	1.1
89.02449	1.6
95.01392	1.7
96.96007	1.9
98.21857	1.7
99.00885	2.6
99.04533	10.7
99.08177	3.4
101.02446	1.4
103.00375	6.7
107.01417	2.3
110.00066	0.9
111.00883	4.1
113.02455	4.8
115.04013	7.0
115.07684	1.2
117.05560	6.0
121.02967	19.4
122.03252	0.9
123.00889	6.7
123.04519	1.0
124.01690	7.5
125.02461	16.6
139.00386	3.0
139.04031	3.0
140.01172	2.5
143.07135	3.2
151.00362	3.7
151.04115	0.9
159.89543	0.8
161.08205	100.0
162.08553	3.1
167.03528	3.1
168.00665	4.0
169.01428	21.0
170.01764	1.2
177.05467	0.9
183.02956	1.9
191.05640	3.4
193.05180	1.1
203.09247	16.9
211.02478	0.8
247.08173	1.0
249.06210	2.9
275.02063	1.3
279.65237	0.9
300.99960	1.8
302.25323	0.9
313.05566	4.6
319.14285	1.0
327.07315	1.4
371.09833	29.4
372.10153	2.2
453.10419	58.0
454.10690	7.0
467.03534	2.2
494.39087	1.0
527.14276	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63883	0.7
55.01892	1.2
57.03460	0.9
57.98164	0.6
58.00574	1.1
59.01382	23.4
64.79346	0.6
69.03459	0.7
69.46896	1.4
69.47282	1.7
71.01386	11.9
72.99326	0.9
73.02940	1.6
81.03476	0.9
83.01408	1.3
85.02963	7.0
89.02444	7.8
89.68656	0.6
95.01398	3.7
96.96011	3.3
99.00882	1.0
101.02442	5.2
107.01394	0.8
108.02182	51.0
109.02972	32.8
110.03316	1.5
113.02435	4.4
121.02970	1.7
123.00901	2.8
123.04517	1.7
125.02490	3.5
134.03722	0.8
135.04514	0.8
135.11827	1.2
136.65782	0.7
137.02432	1.7
149.02386	1.4
151.04056	1.0
152.01164	58.1
153.01952	19.4
154.02232	1.2
154.88913	0.7
161.04543	0.7
163.04053	1.2
164.04683	1.6
165.01955	1.4
169.01447	2.2
177.01967	1.3
179.10835	2.4
182.02222	1.1
197.04576	2.4
229.05162	2.7
315.07288	3.7
377.12497	0.7
477.17639	12.0
478.18082	2.1
503.15530	0.8
521.16608	17.7
522.17175	2.1
539.17365	1.3
617.79700	0.8
701.22986	100.0
702.23346	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	701.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65051	1.3
59.01375	4.0
60.32360	1.3
61.98832	1.3
63.96231	1.7
65.00330	1.7
69.06814	9.5
71.01378	6.7
72.99320	2.2
73.02967	1.4
75.32366	1.3
79.01885	1.3
81.03464	2.8
83.01392	2.6
85.02972	2.3
87.00910	2.3
88.98820	4.3
89.02476	2.3
90.52029	1.4
93.03479	5.0
95.01389	7.0
96.96037	3.2
97.02968	1.7
97.06581	1.9
101.02419	3.2
107.01403	3.3
108.02194	2.2
109.02965	5.0
109.06633	2.0
111.00909	2.9
113.02458	3.7
120.99342	2.7
121.02182	2.0
121.02973	20.2
123.00889	19.7
123.04546	4.0
123.08185	3.3
124.01672	2.2
125.02461	12.5
127.00368	3.4
135.04527	3.5
135.41211	1.5
135.98367	5.6
136.98788	2.7
137.02458	21.9
138.03194	4.5
139.00375	6.0
139.04030	3.1
147.04591	1.9
149.02504	1.5
150.03175	2.1
150.06856	12.1
151.00409	1.6
151.04056	2.4
153.01955	3.6
153.05614	10.6
153.09178	3.2
154.69289	1.6
155.03506	6.1
159.04501	2.0
161.02472	2.6
161.06053	3.3
163.07616	3.2
164.08348	1.8
164.18103	1.5
166.02740	2.0
166.99860	10.5
167.03502	4.2
168.00620	3.3
169.01471	9.0
173.08232	1.4
175.07535	1.5
177.01837	2.3
179.03535	2.1
179.07164	1.5
179.10774	6.7
181.01448	10.3
182.02243	17.5
183.02986	11.3
187.09772	5.6
197.04564	30.0
208.03786	1.5
217.10832	10.3
231.12384	4.4
239.25613	1.4
240.81007	1.5
255.10335	1.6
269.08304	18.0
270.08521	1.8
271.09750	1.6
278.16623	1.4
281.08170	1.8
283.09827	7.4
295.09671	2.0
299.09314	11.8
300.09833	3.2
310.12067	1.6
311.04178	2.2
311.09213	16.1
312.09778	2.7
313.00067	2.0
314.11649	26.3
315.01318	1.6
315.12234	8.5
325.10727	3.1
326.06332	7.2
326.11606	13.0
327.07141	3.2
327.12317	3.4
329.13953	32.9
330.14316	4.3
341.08804	50.0
341.13873	11.2
342.09207	3.2
342.14313	2.2
497.27618	3.9
503.33926	17.0
504.33606	1.9
509.31558	1.7
521.31873	1.6
539.31934	3.2
565.95557	1.5
620.21771	1.5
683.36169	1.7
686.22198	2.1
701.24170	100.0
701.37292	50.3
702.24390	24.6
702.37756	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	701.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02182	1.1
50.75193	1.1
55.01884	1.2
57.03442	1.8
57.84952	1.1
59.01377	8.7
61.98836	36.6
65.00340	1.7
67.01900	2.5
68.99823	1.5
69.01915	3.5
69.02338	8.1
71.01381	12.0
73.02974	3.0
74.26722	1.4
81.03479	2.3
83.01408	5.2
84.64622	1.3
85.03001	4.5
86.25687	1.4
89.02487	3.6
91.01906	3.0
95.01421	3.8
96.95996	1.3
97.02971	2.8
99.00901	1.5
101.02489	4.9
102.53381	1.1
107.01385	6.9
107.51818	1.4
108.02186	13.2
109.02962	9.5
111.00932	2.9
113.02485	4.1
119.03542	1.4
121.02983	2.8
122.03789	1.6
123.00891	8.1
123.04533	19.6
124.01731	2.3
125.02454	15.4
127.21896	1.1
133.03012	3.7
134.03772	1.8
135.04599	4.0
136.01669	31.1
136.02632	2.5
137.02460	13.2
139.00409	2.0
139.04086	5.7
149.02530	4.7
150.03256	3.0
151.00383	14.6
151.04015	47.2
152.01176	21.1
152.04488	1.5
153.01930	7.8
159.04575	3.2
161.02437	8.6
161.06123	1.8
163.04037	2.2
164.04832	9.8
165.01939	2.8
165.05559	2.0
166.02725	16.3
167.03511	50.6
168.03899	1.3
169.01472	4.1
173.06107	3.0
174.06902	3.9
175.04047	3.0
175.07634	2.0
176.04915	1.6
177.05652	3.0
178.02782	1.9
179.03560	2.8
179.07137	6.0
180.04247	1.2
181.05098	15.7
183.02997	1.3
189.05704	1.5
191.07166	3.2
192.08035	2.3
193.05188	2.1
195.06700	2.5
207.10368	2.1
219.03210	1.6
251.05656	1.3
270.98825	2.0
279.09036	2.2
285.04214	3.0
289.07339	3.0
296.05615	4.2
298.98373	1.4
299.99109	13.1
300.99844	1.6
311.07706	100.0
312.07870	7.3
315.01450	11.4
326.11581	10.9
327.12296	2.5
329.10446	1.9
329.14053	2.5
341.10117	1.7
341.13898	7.1
344.12848	2.6
345.13425	8.6
359.15005	19.5
360.11526	2.5
360.15549	1.5
373.26056	1.9
375.14432	15.5
389.16110	8.6
436.08154	1.2
455.32047	3.6
466.66837	1.6
492.34415	1.8
493.13464	3.0
501.32159	7.7
503.33844	5.4
521.17072	3.2
539.28864	3.5
540.28839	1.8
701.24713	52.3
701.34821	2.5
702.25531	12.6
726.18066	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76355	1.4
59.00480	1.6
69.19807	10.8
74.35190	1.6
78.95910	2.1
81.03436	1.8
95.01385	2.4
109.02937	4.8
109.65302	1.8
111.04518	9.5
112.21547	2.0
113.09721	2.2
123.04500	2.2
123.08154	2.8
125.06059	7.7
135.08163	2.2
137.02425	1.8
139.04033	3.0
149.06067	4.4
151.03979	8.1
151.07666	7.1
163.07675	3.3
165.05595	8.4
165.09218	10.9
170.98529	1.7
179.07123	15.6
179.10739	2.2
181.08707	21.4
189.05711	2.1
191.03534	2.1
191.07289	1.9
193.05026	5.3
193.08708	7.4
195.06635	32.8
203.07208	2.6
207.06642	17.0
209.08206	44.2
210.08569	3.2
219.06667	2.5
221.08221	36.7
222.08522	2.0
223.09822	10.5
229.02747	27.4
235.09767	19.5
241.02730	10.5
243.04311	31.3
243.06673	3.1
244.04634	2.8
247.06052	3.2
247.09769	3.3
249.11311	4.8
249.14029	1.7
255.04341	6.8
257.05878	6.4
259.09671	4.7
261.07654	7.4
261.11298	1.6
263.12970	3.4
273.11307	4.7
275.09296	3.1
303.08661	3.1
321.50162	1.6
345.09717	1.8
383.15201	2.5
385.16550	4.6
411.14276	2.4
415.13904	17.1
427.13626	1.8
429.15479	100.0
430.15814	12.7
431.20874	9.3
443.20743	6.0
445.22324	17.8
455.20886	2.5
465.12213	12.9
465.30344	2.8
479.18436	10.3
483.20270	32.0
484.20544	5.9
665.29449	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	701.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	3.6
63.07331	0.7
98.22611	2.0
99.92596	45.7
100.92608	3.2
100.93340	2.0
115.92091	56.9
116.92084	3.0
116.92887	4.0
117.03517	0.8
123.02476	0.9
134.03726	1.2
145.02983	2.5
154.10170	0.8
167.83035	0.8
218.97464	1.2
334.78711	1.0
345.83780	0.8
454.92026	0.8
537.26965	4.2
551.24658	1.5
601.39288	1.9
603.39929	1.2
701.31549	100.0
702.31799	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	701.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03370	0.8
59.01370	3.4
61.98832	7.3
71.01369	1.8
79.49052	0.8
81.03447	0.8
93.65531	0.9
97.67652	0.7
108.02190	1.4
109.02977	1.2
116.92889	1.7
123.00940	0.9
125.02437	1.6
128.94188	0.9
135.04536	1.2
139.04050	1.1
151.04036	1.1
164.04808	1.3
167.03522	1.0
169.01474	1.6
178.02696	1.3
179.03468	1.1
181.05185	1.2
193.05162	1.1
197.02213	5.8
201.21428	0.9
290.68423	0.8
359.15170	1.0
367.10791	0.9
378.70645	0.9
503.33832	100.0
504.34167	19.3
701.36841	46.5
702.25470	1.5
702.37201	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	701.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46038	0.9
55.63527	1.0
59.01365	4.8
61.98834	13.4
66.13606	0.9
71.01380	1.8
85.02982	1.8
87.00874	2.0
89.02448	1.5
93.03465	1.9
98.22643	2.0
101.02515	1.3
108.02188	4.7
109.02950	4.9
113.02431	1.6
116.92871	1.6
121.02920	1.4
123.04512	2.1
125.02445	4.2
125.06398	1.0
133.02975	14.3
134.03711	2.3
135.04558	9.4
136.01694	1.2
136.04836	1.2
137.02472	4.9
139.11269	1.6
149.02435	3.2
149.06129	1.5
151.03998	1.9
152.01167	5.1
153.01941	2.0
160.01654	1.9
161.02461	37.8
163.04008	2.9
164.04791	11.4
165.01767	1.2
165.05403	2.1
167.03474	1.4
169.01471	2.7
175.04019	4.0
177.05658	1.2
178.02765	1.5
179.03523	8.0
179.07167	3.8
183.06598	1.1
193.05121	1.5
193.08600	1.1
197.02219	7.6
201.11311	1.2
221.04475	1.4
289.07440	1.5
323.07687	3.8
324.08438	1.8
345.61151	1.3
373.25717	1.3
444.01514	1.1
484.99506	1.1
499.18222	4.0
503.15729	16.2
503.33832	100.0
504.15961	2.7
504.34171	20.7
520.15106	1.1
521.16711	14.7
522.16931	2.5
639.88251	1.2
683.23157	3.0
684.23334	2.0
701.25769	3.8
701.37280	24.6
702.38104	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	701.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.7
61.98817	1.1
66.29039	0.9
69.42712	5.0
71.01370	2.1
73.04176	0.9
78.84589	0.8
84.89243	0.9
93.03453	1.8
96.95987	2.3
98.22519	1.8
99.92635	2.2
109.02951	4.0
116.92872	14.4
117.92915	1.2
123.00875	1.4
123.04533	1.6
123.08134	1.0
124.01648	1.1
125.02447	7.1
135.04495	5.0
137.02449	6.1
139.04007	1.0
150.06964	1.1
151.00395	1.5
151.04015	1.2
153.01782	1.0
153.09288	1.4
161.02464	2.3
165.05493	1.4
165.19150	1.0
167.03523	2.3
169.01427	6.8
177.05600	1.0
179.10703	1.3
187.09724	3.3
197.02249	8.1
217.10806	2.2
241.05066	1.4
270.98804	3.0
281.06598	3.0
298.98264	3.6
299.99237	6.0
300.99542	2.0
312.99899	1.3
314.00702	2.0
315.01422	4.1
384.21564	0.9
443.31253	1.0
453.30075	3.9
485.32544	7.2
503.33832	100.0
504.34143	17.5
559.38605	1.0
701.19446	16.5
701.36798	20.7
702.20715	4.7
702.37286	5.0
718.29083	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42413	0.7
57.03444	1.7
59.01363	3.0
59.64492	0.7
60.99333	0.8
61.98811	1.1
69.03449	0.9
69.07559	5.8
71.01385	4.0
73.02934	1.4
75.00855	0.9
77.06189	0.7
80.52412	0.7
81.03451	1.0
83.05007	1.4
85.02940	1.1
87.00870	1.7
88.98810	3.7
89.02449	8.6
93.03481	1.3
95.05036	1.2
96.95994	1.4
97.06609	4.8
99.04514	1.5
101.02438	1.4
101.03274	0.7
107.01385	2.0
107.05045	0.9
109.02911	1.6
109.06594	9.7
111.00832	1.1
111.04530	1.7
111.08125	1.2
121.02969	3.9
123.00917	3.9
123.04478	1.0
123.07394	0.8
123.08184	9.6
124.01699	1.2
125.02457	4.0
125.06071	1.0
127.07677	1.3
135.04530	1.9
135.08176	8.3
136.08560	1.1
137.02483	5.0
138.03175	0.8
138.06859	4.2
139.00343	1.3
139.03987	1.9
141.09233	4.6
149.06062	1.7
150.06879	27.1
151.07390	0.8
153.01999	0.9
153.05531	3.0
153.09222	17.0
154.09561	1.2
159.04449	1.0
160.05325	1.8
161.02484	1.0
162.06874	1.4
163.07730	3.9
164.08434	4.2
165.01996	1.0
166.99855	1.8
167.03403	1.6
168.00638	2.0
169.01385	2.9
175.07666	1.3
177.01884	0.9
177.09221	1.0
179.10785	12.5
180.11186	0.9
181.01436	2.0
182.02234	4.0
183.03004	5.5
187.09760	19.3
188.10101	0.8
197.04558	6.9
217.10812	41.2
218.11084	2.9
222.34558	0.8
256.02255	0.7
269.08121	2.9
281.08188	1.1
281.30579	0.7
283.09647	1.2
299.09186	1.5
311.09195	2.9
314.00970	0.8
314.11688	3.2
315.01492	1.2
315.12198	1.6
320.19794	1.0
321.20605	1.7
326.06381	1.5
326.11502	2.3
327.07138	1.0
327.12204	1.1
329.13980	7.9
330.14355	1.3
341.08807	13.2
341.13745	1.6
341.19769	1.4
342.08981	1.7
351.21747	4.1
439.28473	1.5
457.33212	2.1
459.34824	1.2
473.32990	1.2
491.33582	3.1
503.33725	2.1
520.30115	0.9
521.31366	8.7
522.31390	1.6
539.15588	6.4
539.32086	2.4
540.15833	1.4
621.40155	1.3
683.26074	1.2
683.36456	8.9
684.36798	1.1
701.23999	17.7
701.37286	100.0
702.24396	5.9
702.37634	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	701.3915
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.2
58.20153	0.6
63.32874	0.6
68.98580	4.9
68.98994	1.3
71.05016	1.7
83.05029	3.0
85.02969	0.7
87.04520	2.8
91.10902	0.7
95.05004	1.0
97.06593	1.1
98.21812	1.3
99.00886	5.5
99.04518	1.9
101.06094	2.4
107.05058	0.7
109.06527	0.8
111.04520	1.6
113.09738	11.3
125.06081	1.1
125.99620	0.8
127.04010	0.9
139.27672	0.6
141.05583	1.3
151.03998	0.9
154.02771	0.6
165.05469	0.7
166.06369	1.2
169.05077	45.0
170.05377	1.8
178.20760	0.7
181.08717	100.0
182.09036	6.1
184.53670	0.7
195.06648	0.8
205.12308	2.3
223.09735	2.4
223.13350	0.9
229.02725	2.9
237.07811	0.7
295.19113	2.5
363.17929	1.0
377.19672	1.9
409.41687	0.7
429.19183	1.3
465.24915	31.6
466.25305	4.6
701.39539	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01324	2.3
61.98768	3.5
69.28201	2.8
71.01324	1.5
73.02908	0.5
76.84332	0.6
85.02939	0.6
87.40254	0.4
87.77614	0.6
89.02402	0.9
94.04337	0.4
98.22485	0.6
101.02412	1.2
107.01308	0.5
108.02084	0.6
109.02896	1.4
113.02405	0.7
121.02882	1.0
123.00799	0.6
123.04474	1.3
125.02441	1.0
135.04454	1.2
137.02426	1.0
137.06041	0.6
149.02362	0.6
151.04002	0.9
153.01942	0.4
155.10660	0.4
161.02415	1.0
161.71072	0.4
163.03909	0.7
164.04726	1.4
165.05565	0.7
168.00487	0.7
169.01436	0.9
177.01814	0.5
179.07138	0.7
181.04979	0.9
187.34560	0.4
200.01093	1.0
207.10196	0.4
209.11702	0.7
214.23209	0.4
216.00630	0.9
225.11317	0.5
230.08200	0.4
242.99393	1.2
244.00069	0.7
270.98904	4.8
271.99658	0.7
289.07233	1.2
298.98416	4.8
299.99130	80.6
300.99481	6.4
301.06970	0.6
314.00717	2.2
315.01495	100.0
316.01794	9.4
330.11353	0.5
342.11270	0.6
343.11917	0.9
361.12753	0.5
391.11697	0.5
503.34052	1.8
504.34366	1.1
505.35117	2.0
523.17926	0.7
667.39679	2.0
698.87903	0.5
703.18237	11.4
703.38330	1.4
704.18170	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	703.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	5.6
61.98828	11.3
65.00303	2.0
67.01888	2.3
68.99854	1.8
69.03450	4.2
69.30883	10.9
71.01369	3.5
71.05023	2.4
78.24852	1.6
78.56769	1.8
83.01390	9.2
85.02914	1.6
88.98816	2.1
91.01909	6.7
93.03478	3.6
95.01395	5.3
95.16226	1.8
97.02969	10.9
105.03474	2.1
107.01430	2.1
107.04996	2.3
108.02180	5.5
109.02967	51.1
111.00879	3.9
116.92857	5.5
121.02974	19.0
122.03731	3.9
123.00885	15.5
123.04531	45.8
124.01681	3.7
125.02452	18.1
127.00406	3.1
131.05075	1.7
133.02937	3.0
134.03760	1.8
135.04535	7.4
136.98831	2.9
137.02464	40.1
137.03520	2.0
138.03285	10.0
139.00398	9.6
139.04030	19.5
146.03734	2.6
147.04567	8.3
149.02461	33.1
149.06093	1.8
150.03114	2.6
151.00365	5.3
151.04019	23.2
152.01147	3.6
153.01958	4.6
153.05559	11.2
154.02719	2.1
155.03545	2.0
159.04451	2.3
161.02463	13.1
161.06102	5.1
162.03174	2.4
163.04062	8.7
164.01213	2.2
164.04681	2.6
165.01929	7.7
165.05566	5.9
166.02734	3.2
166.06381	4.8
167.03519	43.7
167.07225	1.7
169.01408	5.0
173.06018	3.4
174.03273	2.0
175.03966	3.5
175.07645	2.6
176.01143	8.2
177.01907	10.4
177.05594	1.8
178.02673	6.0
179.03540	8.3
179.07108	2.1
181.05083	12.0
181.08772	3.3
182.02177	1.7
183.02899	1.9
187.03990	3.2
188.04688	1.8
189.01881	2.8
190.02728	3.9
191.03523	15.7
192.04143	2.3
193.92488	1.9
195.06688	2.3
196.05205	2.2
197.04556	16.6
197.06047	2.8
201.05559	3.0
203.03484	3.8
203.07143	7.9
205.05107	10.3
209.07976	2.1
211.06210	1.9
213.05617	8.9
215.05188	3.4
215.07141	45.1
216.07547	3.3
218.05901	2.2
219.06674	3.4
240.04068	1.9
245.04523	3.0
245.08250	6.2
247.06120	6.2
255.06674	2.4
257.08148	9.0
258.08386	2.0
265.04834	1.9
265.97321	1.9
283.05997	3.1
289.07196	33.5
290.07642	2.4
291.30496	1.9
301.07214	100.0
302.07562	12.3
325.13397	2.1
327.09082	2.0
361.16718	6.4
386.10336	2.2
401.12445	5.6
411.14719	3.3
413.12457	2.4
474.55881	2.3
493.17780	9.2
504.76620	2.0
505.14813	4.2
523.16180	23.1
524.16754	4.4
549.13977	12.9
550.13550	2.4
685.18976	6.5
703.20648	27.2
703.25806	32.2
704.18896	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	703.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.1
59.01378	2.6
61.98821	3.0
69.01168	4.5
69.01579	5.0
69.03460	1.3
71.01389	5.2
82.66346	1.2
83.01394	1.9
85.02982	1.4
89.02421	1.1
95.01401	5.1
96.96027	1.1
97.02993	2.0
101.02424	2.4
107.00737	1.8
107.01400	13.5
109.02959	1.4
111.00908	4.8
116.92905	2.2
123.00880	16.3
124.01675	7.0
125.02461	77.4
126.02787	2.6
127.00396	2.0
133.02946	1.1
134.03749	1.3
135.04568	1.9
136.01614	1.3
136.98837	2.4
137.02493	2.6
139.00397	7.0
139.04025	2.4
140.01173	5.2
147.04552	1.6
149.99574	5.5
150.03209	2.8
151.00412	6.5
151.03954	1.2
152.01230	1.4
153.01976	2.4
153.05635	1.7
160.01663	1.8
161.02477	3.1
163.04007	1.5
165.01938	2.1
165.05585	2.7
167.03601	1.5
168.00655	15.8
169.01439	78.6
170.01816	3.5
175.04053	5.0
177.01927	2.0
177.05632	2.0
179.13803	1.2
180.04327	2.1
183.02966	6.9
190.06407	2.5
191.07156	2.8
193.05168	3.0
194.05763	1.7
197.04578	1.9
205.08644	1.5
211.02460	1.6
250.22505	1.1
297.06293	2.7
313.05643	16.0
327.07343	2.2
339.33762	1.1
341.08716	6.8
345.13470	2.4
359.15079	2.4
361.16702	2.3
429.09183	1.3
619.26770	1.2
703.22357	100.0
704.22620	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	703.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	2.5
61.98826	1.2
65.00318	0.9
69.03450	1.7
69.08966	7.8
71.01396	5.6
72.99290	1.0
73.02950	1.0
79.01900	1.3
83.01388	2.0
84.13369	0.8
85.02949	1.5
85.27967	0.9
87.00896	1.2
88.98796	1.7
95.01383	2.4
97.02982	2.6
99.78381	0.8
101.02438	1.9
107.01404	15.3
108.02225	1.2
109.02961	1.6
110.00111	1.0
111.00883	4.4
113.02439	1.9
116.92857	1.2
121.02927	1.4
123.00890	10.6
123.04499	1.9
124.01685	3.5
125.02456	75.7
126.02798	3.3
127.00359	1.3
136.01678	10.4
136.98834	2.9
137.02448	1.7
139.00336	5.5
139.04044	1.9
140.01175	5.6
141.01894	2.3
149.02461	3.3
150.03194	1.1
151.00392	9.3
151.04002	9.9
152.01097	1.6
153.01923	1.6
153.05647	1.2
159.79984	0.9
165.01886	1.2
166.02734	1.4
167.03510	4.0
168.00662	7.3
169.01439	84.3
170.01799	3.3
174.06877	1.1
177.05524	1.0
179.03459	1.2
181.05093	2.4
181.40895	0.9
183.02933	4.8
211.02457	3.9
241.03448	1.5
271.04816	2.0
297.06256	2.0
300.02780	1.2
311.09195	1.0
312.09958	1.1
313.05634	15.2
314.06140	1.0
327.07172	3.2
345.13364	1.9
359.14920	1.1
515.12183	1.3
530.24847	0.9
613.11511	1.3
703.22369	100.0
704.22778	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	703.2253
Annotation	Amorphigenin O-vicianoside
Peak:m/z	Relative Intensity
50.77604	1.6
55.61523	1.4
59.01370	7.0
61.98826	1.8
67.01895	5.3
68.99818	1.5
69.03413	1.6
69.25525	1.6
71.01394	8.7
72.99296	3.0
79.01901	5.1
83.01373	3.6
85.02965	3.0
87.00874	2.5
89.02437	3.5
93.03402	1.5
93.41122	1.5
95.01406	9.2
97.02966	2.2
99.00913	1.8
101.02455	3.3
107.01389	14.7
109.02962	4.1
110.24409	1.7
111.00912	10.6
116.92870	6.3
121.02954	3.1
122.84869	1.8
123.00900	44.2
123.01778	2.8
123.04550	2.1
124.01698	3.1
125.02457	50.6
126.02784	2.4
127.00372	2.6
134.03775	2.9
135.04497	3.0
136.98810	5.6
137.02458	6.5
138.03223	2.0
139.00383	20.1
139.04027	5.1
140.01155	15.4
141.01929	4.5
149.02473	3.0
150.03264	7.5
151.00371	14.2
151.03987	6.5
152.00975	1.5
153.01949	4.1
154.02727	3.5
160.01736	7.1
161.02487	3.4
165.05629	7.4
166.99857	5.1
167.03516	4.5
168.00639	18.7
169.01443	48.7
169.05093	2.2
170.01750	1.9
172.89943	1.5
175.04037	10.4
181.01465	2.2
182.02251	2.0
183.02980	9.3
193.05118	3.0
195.06648	4.5
196.03940	2.2
197.04582	2.5
211.02512	9.8
225.04063	2.0
240.04237	1.8
248.98608	1.7
256.03720	1.6
271.04559	9.1
311.07617	11.9
313.05453	2.0
337.09283	4.5
359.15024	3.5
373.12943	1.9
380.67120	1.6
391.17773	3.8
440.47357	1.6
471.12878	1.5
471.53650	1.5
491.15268	1.8
492.16397	2.1
506.17990	2.9
507.14185	9.2
521.20563	4.0
537.16138	5.5
538.16870	1.8
673.21356	100.0
674.21814	19.5
685.09375	2.2
685.21350	50.9
686.21655	10.9
703.22375	71.0
704.22900	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52018	0.4
57.03445	0.6
58.99605	25.9
59.01376	6.2
61.98819	0.7
62.85158	0.4
63.56747	0.4
71.00977	0.7
71.01382	13.6
71.29683	0.5
73.02950	2.3
74.99104	0.9
79.30872	0.5
83.01397	1.2
85.02956	5.0
87.00884	11.9
89.02445	4.4
95.01395	0.7
99.00893	0.8
101.02443	6.0
102.98602	100.0
103.98945	1.2
111.00860	0.5
113.02458	5.0
119.03510	1.8
120.99691	2.1
125.02457	2.4
143.03535	0.5
153.01869	0.4
153.74171	0.5
159.03009	0.7
161.04579	4.9
169.01404	2.0
179.05560	1.0
180.99698	0.7
181.05063	1.1
183.02917	0.5
196.02042	0.6
196.07492	0.6
197.08250	0.5
205.07156	0.9
211.04424	0.8
249.06169	6.4
283.04935	90.9
284.05222	5.0
289.07059	0.5
410.08572	0.4
505.31613	2.8
703.22205	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.7
87.00867	0.3
89.02427	0.2
91.97829	0.3
101.02464	0.3
102.98618	0.4
116.92857	0.5
120.99662	100.0
122.00023	1.5
125.02453	0.5
137.02443	0.4
144.64526	0.2
160.01646	0.4
161.61292	0.3
162.03275	0.3
169.01541	0.3
175.04015	0.6
177.01942	0.3
181.05077	0.9
192.04324	0.6
192.99638	1.8
196.02058	0.3
196.07408	0.8
196.64612	0.3
207.01210	0.5
207.06616	1.0
208.02026	2.5
211.09793	0.5
223.04361	5.1
224.04674	0.5
225.07813	0.3
241.05382	1.6
248.30487	0.2
329.06970	1.6
403.10849	1.3
491.12311	2.2
703.22406	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.4
59.01382	28.6
61.98845	2.0
65.58601	1.5
69.82387	4.7
70.14094	1.6
71.01387	16.0
72.99291	2.3
73.02950	3.4
81.03461	2.4
83.01413	3.5
85.02943	7.7
87.04551	2.5
89.02431	10.1
95.01392	3.4
95.05054	1.7
97.02961	2.5
99.00934	2.5
99.04510	2.6
101.02470	5.1
107.01398	6.0
108.02184	62.7
109.02977	40.8
111.00874	2.1
113.02468	4.9
119.03470	2.2
121.02925	2.7
123.00883	5.9
123.04488	4.7
124.01668	2.0
125.02456	41.8
128.04337	1.5
133.02919	2.0
135.04527	6.8
137.02403	5.8
139.03973	1.8
149.02420	4.1
151.00352	3.3
151.03995	5.6
152.01169	66.4
153.01950	27.4
161.02426	4.8
163.04018	3.2
163.11185	2.1
164.01157	4.6
165.01956	3.2
167.03531	13.2
168.00572	2.7
169.00020	2.0
169.01457	30.7
170.01709	2.5
175.04068	3.2
179.03516	16.6
179.07196	1.8
181.12338	4.8
193.01376	3.0
197.04518	3.9
225.11378	3.7
251.05490	2.1
261.07800	2.1
269.06647	6.8
287.07669	4.9
295.04663	1.9
313.05652	4.6
323.43396	1.8
381.11911	16.6
399.12878	5.0
439.08752	5.1
448.34088	1.9
479.19165	6.6
505.35397	6.0
523.18085	20.8
524.18378	4.1
533.12982	4.1
541.19208	11.1
551.14661	8.1
640.89429	1.8
659.15704	7.0
703.23920	100.0
704.23871	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	703.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42039	0.6
57.74440	0.6
59.01348	1.3
65.00288	0.9
67.01854	0.6
67.92819	0.5
69.11417	3.6
71.01382	5.8
73.02899	0.9
75.74326	0.5
81.03418	0.8
83.01318	1.5
85.02920	1.0
88.87459	0.6
89.02429	0.6
91.26049	0.6
93.03394	1.6
95.01339	1.5
97.02897	0.5
99.00852	0.8
101.02399	2.6
107.01363	0.6
109.02956	5.1
111.00867	1.3
113.02405	1.8
116.92864	2.9
121.02966	18.9
122.03773	8.2
123.00911	4.4
123.04472	1.9
124.01637	1.4
125.02379	1.6
127.00338	1.1
129.03421	0.7
135.04449	1.7
136.05232	0.8
137.02454	9.3
138.03140	2.1
139.00330	1.8
146.03833	0.8
147.04549	6.0
147.05710	0.8
148.05229	0.7
149.05998	2.1
149.99532	0.6
150.03270	0.8
151.03937	0.6
153.01860	1.6
153.04465	0.7
153.05577	7.4
154.02676	3.0
155.03525	1.2
160.05247	0.8
161.06033	2.2
162.06805	0.5
163.03972	0.8
165.05582	20.7
166.05855	1.1
166.99861	3.2
169.01361	1.6
178.06367	0.7
179.07155	7.2
181.01442	5.8
182.02232	6.8
183.02962	5.7
192.04362	0.7
196.03740	1.0
197.04565	27.9
198.04828	1.3
209.08182	0.7
211.06256	0.9
223.09808	1.0
225.03983	1.9
243.06522	0.6
300.18790	0.6
301.10861	0.6
303.48499	0.6
311.04111	1.4
313.14301	0.8
315.12393	2.1
316.12695	0.8
326.06415	7.6
327.06982	1.2
328.84573	0.7
331.15714	0.8
341.08777	100.0
342.09143	8.2
346.14252	8.8
347.14975	3.1
361.16586	43.8
362.16876	4.7
393.18460	0.9
546.88739	0.7
644.20483	0.7
703.26215	21.2
704.26563	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	703.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.7
59.01372	1.0
61.98833	1.8
65.00321	0.4
67.01881	0.7
68.99818	0.8
71.01384	0.7
71.29666	0.3
72.29447	0.3
79.01916	0.4
81.03471	0.3
82.46766	0.3
83.01394	2.7
84.99325	0.4
90.23921	0.3
93.03455	0.8
95.01396	0.7
99.00883	1.0
101.02418	0.4
107.01439	0.5
108.02186	0.6
109.02956	1.7
111.00907	3.0
112.98815	1.2
115.58044	0.3
116.92889	0.4
121.02940	3.4
122.03766	1.9
123.00887	4.2
123.04536	0.9
124.01686	0.6
125.02461	2.3
125.99577	0.4
127.00401	4.2
135.04524	0.6
136.98839	3.3
137.02470	1.9
137.99632	0.4
138.03200	1.7
139.00400	3.7
139.04016	0.8
141.01938	0.5
143.83813	0.3
146.03761	0.3
147.04544	1.1
149.06088	0.5
150.03203	0.8
151.04025	0.7
153.01936	1.1
153.05598	25.1
154.02728	2.6
154.05890	1.3
154.99922	0.5
161.06111	0.4
165.01964	0.4
165.05576	4.5
166.06242	0.4
166.99895	0.7
167.03372	0.3
169.01488	1.7
179.03525	0.5
179.07201	1.4
180.04335	0.6
181.01407	0.8
181.05092	0.5
182.02229	10.5
183.02942	0.6
195.06683	1.3
196.03760	0.4
197.04573	100.0
198.04893	5.1
221.04564	0.6
225.07869	0.4
239.05646	1.1
258.06677	0.3
264.25769	0.5
269.06708	0.9
281.06622	0.4
281.11777	0.3
327.07077	0.5
341.08777	16.6
342.09161	1.6
342.47189	0.3
346.14267	1.2
347.15118	1.4
361.16565	8.6
362.16959	1.1
507.15247	0.9
703.27344	3.3
704.26245	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03414	0.5
59.01373	2.7
61.98839	5.1
69.64534	2.3
71.01360	1.1
73.98798	0.7
85.02963	1.1
88.98791	0.8
93.03465	2.6
96.96014	1.1
97.02937	1.3
99.02980	0.6
107.05060	1.2
108.02156	1.3
109.02956	6.1
111.00932	0.7
111.04481	0.8
116.92798	0.7
119.05060	1.2
121.02966	12.8
121.03831	0.4
122.03754	8.8
123.00910	0.9
123.04538	2.6
124.01675	2.0
125.02448	2.6
129.03444	0.9
133.02977	0.7
134.03758	0.8
135.04529	5.3
135.08127	1.3
136.01657	1.3
137.02478	4.1
137.06078	1.4
137.99478	0.6
139.00423	0.6
139.03996	0.9
146.03717	0.8
146.17557	0.7
147.04509	5.6
148.05249	1.0
149.02428	1.3
149.06073	2.2
151.03972	2.2
153.05687	0.8
153.09209	4.4
154.02731	2.9
161.02391	1.1
161.04774	0.7
161.06079	3.1
162.02904	0.5
163.03990	1.3
164.04779	1.1
165.01935	1.5
165.05582	21.4
166.05946	0.6
169.01424	1.2
174.23000	0.6
175.07735	0.6
177.01857	0.7
177.09183	1.5
178.06354	0.7
179.07140	9.2
180.04201	0.7
181.05051	3.1
191.07147	0.7
193.08730	1.1
195.06622	1.8
197.08214	1.2
203.07138	0.9
209.08160	1.3
215.07179	1.4
221.08244	1.4
223.09665	0.9
239.09396	1.0
241.05037	0.8
243.06500	0.9
257.08313	0.9
289.07159	2.8
299.99133	1.4
301.07202	1.8
315.01431	1.5
315.12381	1.8
341.12619	1.3
343.11877	12.2
344.12213	2.3
346.14243	7.8
347.14819	3.6
361.16574	100.0
362.16943	10.9
503.34006	1.3
510.13828	0.9
619.15338	0.6
703.30334	7.0
704.29175	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	703.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03964	1.8
57.03446	3.0
59.01384	15.6
59.48747	1.8
60.49736	1.7
60.94242	1.7
61.98835	68.2
69.81616	1.6
70.69537	1.9
71.01393	9.1
72.99311	2.5
73.02952	3.0
79.01872	5.3
80.90236	2.1
81.03444	3.6
82.95423	2.7
83.01384	3.3
83.05040	10.2
84.02236	1.9
85.02926	3.3
87.00862	3.0
88.98826	2.9
89.02439	6.4
93.03479	3.5
95.05048	2.7
96.96001	3.4
97.02962	5.0
101.02444	8.5
108.02171	10.7
109.02961	4.7
109.06601	28.2
111.00877	2.3
111.04532	2.2
113.02457	4.6
116.92861	2.5
119.03543	2.3
121.02978	3.8
123.00876	3.1
123.04549	10.1
125.02448	7.7
125.09755	3.1
126.39198	1.9
135.04523	26.8
136.01660	2.9
137.02432	4.5
137.09755	2.5
139.04070	3.0
139.07787	2.4
141.18568	2.0
142.02669	2.9
148.05318	2.1
149.02441	4.8
149.06036	2.0
151.04050	5.9
153.01929	3.8
155.10776	5.8
161.02460	5.5
161.04544	3.4
161.09738	2.6
162.03183	2.4
163.03955	5.8
163.07631	2.0
163.11292	14.1
164.04782	5.0
165.01981	2.5
165.05576	2.7
165.12810	2.7
167.03497	2.3
169.01447	3.3
171.10278	4.7
177.05580	4.4
178.02757	1.7
179.03519	24.6
179.05063	2.8
179.05623	2.4
179.07082	3.2
180.04102	2.6
181.04955	1.7
181.12332	5.2
183.10283	2.8
185.11879	1.8
189.05586	2.7
189.09201	2.5
191.07076	2.3
195.06569	4.4
197.11905	3.9
199.13518	1.7
207.06984	2.4
207.10275	63.1
208.10657	4.1
209.11842	100.0
210.12215	6.4
211.13390	6.6
219.06575	6.5
225.11310	34.1
225.28696	2.2
226.11655	3.2
227.12950	13.6
235.08286	3.7
243.12277	2.7
253.09203	10.6
271.09610	2.9
315.05469	3.2
315.08652	15.1
327.12198	4.9
343.11823	3.5
343.15588	3.0
357.26407	4.0
369.13666	2.4
375.14487	6.7
387.16724	2.8
399.21866	4.7
417.22928	4.0
443.19009	3.1
457.32794	2.2
461.20340	8.9
462.20398	2.6
499.30640	5.1
505.35538	12.3
506.35645	3.9
541.28149	4.1
582.72241	1.7
635.30823	14.8
636.30481	2.2
653.32086	11.8
654.31799	2.3
671.32892	20.6
672.33374	3.6
703.26312	7.3
703.41797	9.2
703.55389	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	703.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23305	5.6
55.71576	4.4
61.98835	100.0
105.55769	4.8
112.66566	4.8
127.80627	5.2
180.58304	6.1
181.08633	13.3
209.08112	5.2
221.04532	6.6
223.06134	38.4
363.99081	4.9
403.42056	4.7
554.63538	5.0
613.16571	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	703.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23305	5.6
55.71576	4.4
61.98835	100.0
105.55769	4.8
112.66566	4.8
127.80627	5.2
180.58304	6.1
181.08633	13.3
209.08112	5.2
221.04532	6.6
223.06134	38.4
363.99081	4.9
403.42056	4.7
554.63538	5.0
613.16571	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	703.3972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06881	3.8
61.98832	18.6
65.31816	4.1
69.20202	27.1
69.82728	3.5
82.95425	31.7
84.95126	100.0
85.00440	52.5
88.79055	3.3
95.41956	3.4
98.21823	9.5
112.89530	4.4
115.36160	3.7
133.02956	10.9
134.03764	5.6
135.04498	8.0
137.02452	7.2
151.75731	4.2
161.02507	23.2
162.02776	6.3
179.03532	6.1
232.19794	3.6
573.39130	15.8
574.40015	26.5
575.40222	5.0
617.38452	48.2
618.38849	63.2
619.39429	7.6
639.37469	4.3
703.36871	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	703.4178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.3
59.01383	3.5
61.98835	24.7
69.03434	1.0
71.01377	3.3
73.02956	1.1
79.95789	0.7
80.02718	0.9
80.96532	1.1
81.03471	0.9
81.29714	0.5
81.60399	0.6
82.95409	0.8
83.01417	0.7
83.05019	1.4
89.02433	1.5
93.03492	0.6
96.36087	0.5
96.96010	1.3
97.02948	1.5
99.00931	0.8
101.02456	2.1
108.02180	1.8
109.03005	0.8
109.06610	4.8
109.93249	0.6
111.00897	1.0
113.02478	0.9
122.07972	0.6
123.00922	1.1
123.04529	1.8
125.02455	3.1
137.02489	0.6
139.04099	0.9
151.03973	1.5
153.01840	0.9
163.11327	2.9
164.04782	0.7
164.62222	0.7
165.02065	0.9
169.01413	1.4
171.10243	0.9
180.04199	0.9
181.12376	1.3
183.13895	2.2
184.02512	0.9
186.36473	0.7
195.14026	0.7
207.10280	10.1
208.10655	0.8
209.09872	1.0
209.11832	18.8
210.12227	2.2
211.13519	0.8
212.11484	0.6
213.14966	11.0
214.15399	0.8
219.06679	0.7
225.11345	6.0
227.12938	2.5
235.08136	0.8
253.09294	2.0
278.05927	0.6
285.37283	0.7
289.21344	0.7
313.05725	0.6
315.12256	0.8
327.08994	1.0
357.26407	1.0
371.24515	2.0
389.25751	1.5
413.34207	0.7
417.22852	1.1
457.33279	100.0
458.33636	20.7
458.38702	0.5
461.20160	1.8
492.12921	1.3
619.20233	1.3
635.30969	2.1
653.31482	1.9
671.32721	2.9
672.33447	1.8
703.30316	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	705.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.0
59.01410	1.4
59.30376	0.8
65.00311	1.0
68.99789	1.3
69.12464	7.0
71.01374	4.5
72.99301	1.4
75.26346	1.0
83.01402	1.5
85.02975	1.2
94.02271	1.0
95.01401	2.5
96.96047	2.3
97.03014	1.3
101.02438	1.7
107.01390	10.6
109.02975	3.3
111.00887	3.7
113.02471	1.3
120.85479	1.0
121.02967	1.8
123.00900	11.0
123.04536	1.3
124.01758	1.7
125.02460	72.0
126.02757	1.8
127.00381	2.0
135.04558	1.9
136.98846	3.0
137.02429	5.0
138.03268	2.2
139.00381	7.5
139.04044	3.8
140.01169	7.6
141.01952	1.1
149.06123	1.1
150.03241	1.5
151.00388	8.7
151.04005	2.7
153.01895	1.3
165.01822	1.2
165.05606	1.4
167.03545	4.0
168.00655	7.9
169.01440	75.5
170.01970	1.7
177.01932	1.8
177.05714	1.2
180.07915	2.4
183.02957	6.5
195.06662	3.0
197.82538	1.1
211.02544	2.0
241.03514	2.0
297.06262	3.2
301.00259	1.7
313.05682	14.9
314.05743	1.1
327.07373	2.2
347.15121	1.2
361.16772	1.5
377.16129	2.9
391.17654	1.8
413.99335	1.3
705.24048	100.0
706.24323	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	705.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80422	1.3
55.80109	1.5
56.97659	1.3
59.01387	1.3
69.03462	1.7
69.20473	9.7
71.01391	7.1
72.99288	2.4
85.02966	2.2
89.62878	1.5
93.03492	1.8
94.79796	1.4
95.01385	3.4
107.01405	18.7
111.00894	6.0
113.02499	2.4
121.02948	9.5
123.00884	16.5
124.01659	2.9
125.02458	88.4
126.02798	3.9
127.00372	2.5
136.98808	3.3
137.02457	4.5
139.00395	7.6
139.04053	2.7
140.01169	8.6
149.02403	2.5
150.03177	1.4
151.00378	10.7
153.01991	2.6
159.56586	1.5
161.02379	2.0
162.03314	1.5
165.05615	2.4
166.06361	38.7
167.03499	1.6
167.07091	3.5
168.00693	7.8
169.01440	100.0
170.01736	5.1
178.85820	1.6
179.03502	2.7
181.08705	14.7
183.03018	6.9
194.05942	2.5
195.06645	4.4
211.02432	3.0
241.03609	2.1
297.06207	4.7
301.00064	1.9
313.05679	23.2
314.06168	2.8
327.07224	4.9
347.11346	2.0
465.06610	5.1
523.14581	52.1
523.22101	2.7
524.14893	9.3
534.68231	1.8
705.24017	94.6
706.24207	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	705.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.2
61.98833	10.6
62.06144	0.6
67.01889	1.1
69.03452	1.1
71.01382	4.9
71.05020	1.1
72.99314	0.9
73.02966	1.0
79.01871	1.0
81.03458	1.1
83.01400	1.6
85.02965	1.8
87.00893	0.7
88.42255	0.6
89.02455	0.9
95.01376	1.0
96.96003	1.6
97.02985	1.0
98.22540	1.4
101.02458	4.1
107.01408	7.4
108.02235	0.7
109.03007	0.7
111.00879	2.0
113.02469	1.8
121.02976	0.8
123.00888	7.6
123.04613	0.9
124.01718	1.9
125.02460	61.2
126.02811	1.6
135.04539	1.2
136.01697	0.8
136.98816	1.2
137.02484	1.9
138.03305	0.7
139.00354	4.5
139.04018	2.2
140.01167	2.6
141.01852	0.8
143.03549	0.7
146.08243	0.9
149.02426	1.7
151.00423	4.6
151.04039	1.4
153.01974	0.9
155.10869	0.8
160.04030	1.6
165.01851	1.8
166.99878	1.7
167.03569	1.7
168.00656	8.8
169.01439	83.0
169.12318	0.8
170.01833	3.7
171.10191	1.0
179.03506	1.4
179.07164	1.1
181.01453	3.1
183.03000	1.5
193.01448	5.8
195.03038	0.9
195.39241	0.7
201.11397	1.0
207.02858	0.9
207.10237	0.7
209.11850	1.9
211.02499	29.1
212.02875	2.1
221.15489	1.4
225.11221	0.9
227.13094	0.8
235.02477	1.2
241.03610	2.4
253.03561	2.4
271.04623	22.0
271.07489	1.4
272.05005	1.5
299.05801	0.7
313.05728	5.6
314.76682	0.7
331.06628	2.5
332.07010	0.7
373.25867	2.2
391.27344	0.9
423.05765	4.1
424.06348	1.1
435.37250	0.7
483.07962	2.1
553.22760	4.2
554.23608	0.8
574.60309	0.7
705.24023	100.0
706.24286	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95362	1.2
59.01385	6.9
61.98821	3.5
62.02400	1.0
67.01879	1.8
67.04599	1.1
69.03433	1.5
71.01373	4.6
71.28551	2.0
74.99068	1.1
77.59504	1.2
81.03445	1.2
83.01401	2.6
85.02946	2.6
89.02457	1.6
93.03497	1.5
95.01379	3.9
96.96001	4.8
96.99295	1.2
97.02959	1.6
101.02428	3.3
107.01400	11.6
108.02196	1.8
109.02956	2.7
111.00895	2.6
113.02473	2.3
121.02930	2.0
123.00902	14.3
123.04583	1.7
124.01649	3.1
125.02460	61.8
126.02811	2.7
135.04492	2.9
136.98877	1.9
137.02463	9.0
139.00360	5.3
139.04022	3.5
140.01129	3.4
141.01889	1.4
148.05296	3.6
149.02440	6.1
150.03247	1.7
151.00398	11.0
151.03987	3.9
152.01128	1.4
153.01901	3.0
163.07584	1.7
164.04811	14.9
165.01915	4.2
165.05478	4.6
167.03484	2.1
168.00648	8.3
169.01431	71.6
170.01768	2.3
171.10284	1.4
179.07149	6.7
181.05074	7.0
182.05798	1.6
183.03018	9.0
187.11142	1.6
195.06683	1.8
196.07387	4.2
197.08080	1.4
203.07191	1.3
211.02437	1.6
211.09830	2.8
271.19391	1.3
289.07230	1.4
297.05893	1.5
299.99109	1.5
313.05655	21.6
314.06000	2.1
327.07227	4.3
391.27039	1.6
477.13858	5.6
493.13306	7.8
504.34042	1.9
505.34769	3.1
705.23657	100.0
706.23993	18.1
706.34283	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.6
57.03449	0.7
59.01383	1.9
60.54597	0.4
61.98831	2.3
65.00317	1.2
69.39180	1.4
69.39590	1.5
71.01387	1.4
71.05025	15.5
73.02932	1.1
74.39998	0.4
77.03965	1.9
79.01892	3.3
83.01406	2.0
93.03479	1.1
95.01389	0.5
95.05025	0.5
96.96049	0.9
97.02950	5.3
98.22549	0.9
101.02454	0.9
107.01425	0.9
107.05000	0.6
108.02157	0.6
109.02989	2.7
111.00887	0.7
119.05003	0.5
121.02961	9.7
123.00912	1.5
123.04523	5.1
124.26144	0.5
125.02477	4.3
133.03055	0.9
134.03773	0.7
137.02440	2.7
138.03242	3.0
138.33675	0.4
139.00417	1.3
139.04024	85.1
139.11296	0.7
140.04337	2.4
147.04503	0.6
149.02449	6.5
149.99487	0.5
150.03235	1.5
151.00464	0.6
151.03995	6.1
153.01904	0.6
160.01619	0.6
161.02426	1.4
161.06088	0.4
162.03320	0.5
163.04018	1.6
164.04730	2.3
165.01941	19.9
165.05573	0.9
166.02716	5.1
167.03505	19.6
168.00635	0.9
168.03929	0.7
169.01442	3.0
169.12434	0.4
171.04535	0.5
171.10286	0.5
173.02472	0.5
174.03238	1.6
175.04018	8.9
177.01945	24.6
178.02284	1.4
179.03494	0.6
179.07098	0.4
180.04294	0.5
181.12379	0.7
183.02937	0.9
183.10278	3.3
185.03488	0.4
188.04811	1.0
189.01959	1.0
189.05585	3.0
190.02727	2.4
191.03514	2.4
193.01431	24.7
193.05002	1.3
194.01811	1.5
195.02968	2.8
197.11740	0.8
199.04056	3.1
199.07681	0.5
201.01883	2.2
203.07104	1.6
209.11803	0.8
211.07761	0.9
212.04803	0.7
213.05594	7.7
216.04283	0.9
217.05069	1.4
219.02988	0.6
225.11288	2.8
227.07169	1.7
230.05780	0.8
231.06615	3.6
240.04271	1.2
243.03001	1.1
243.12297	3.4
245.08183	1.1
249.11282	0.6
255.06651	9.0
256.06885	0.6
257.04526	0.8
267.12289	0.6
271.06107	1.4
273.07629	3.7
285.13522	1.0
289.07224	12.3
290.07538	1.1
291.12350	0.7
299.05627	61.6
300.05960	6.3
317.06677	100.0
318.07010	9.6
327.14401	1.6
347.11334	1.3
348.11768	0.6
377.12445	2.5
387.16632	9.3
388.16812	0.8
457.33255	1.6
462.42477	0.5
553.19043	0.7
687.22699	1.6
705.23138	13.1
706.23419	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	705.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17004	0.6
59.01374	2.0
65.00318	0.6
66.16515	0.6
67.01888	2.4
68.99820	0.6
71.01376	2.4
72.99303	1.8
79.01897	2.6
83.01382	1.4
85.02972	1.1
87.00904	1.1
95.01389	5.5
96.99342	0.6
97.02960	1.1
99.00913	0.8
101.02442	1.9
104.74802	0.5
107.01390	6.3
109.02973	1.1
110.00114	0.9
111.00880	6.1
113.02451	0.9
121.02953	1.2
123.00899	24.9
124.01648	2.4
125.02463	19.5
127.00405	2.2
136.98770	3.0
137.02477	1.2
139.00391	10.3
139.04005	1.3
140.01180	7.3
141.01915	3.7
151.00375	7.1
151.04079	1.0
151.52704	0.7
153.01947	1.4
154.99890	0.6
165.02043	0.6
166.06358	3.9
166.99867	5.1
167.07140	3.4
168.00665	12.6
169.01442	26.8
170.01797	1.3
177.04034	2.0
179.03575	1.2
180.04317	1.0
181.08723	3.8
182.02245	0.7
183.02986	4.2
185.13254	0.6
187.93443	0.6
194.05960	0.6
195.03014	0.8
195.06609	1.1
197.04536	1.1
211.02515	6.2
223.02562	0.7
225.04021	0.7
229.27267	0.7
271.04590	2.7
297.05997	0.8
313.05771	1.0
329.05258	1.6
329.12399	4.8
343.14117	1.7
376.05563	0.6
481.13766	0.9
494.14139	1.7
495.15057	7.5
496.15607	1.2
509.16702	1.5
539.21625	0.8
569.36359	0.7
645.25098	0.6
657.50012	0.7
705.24005	100.0
706.24384	19.9
713.12646	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76300	0.5
59.01379	1.8
59.63802	0.5
64.09643	0.5
65.00328	0.7
67.01888	2.0
69.03462	1.3
70.11373	0.5
70.58164	1.0
71.01383	2.9
72.36454	0.5
72.99297	1.6
79.01894	2.3
83.01403	1.3
85.02946	1.5
86.56935	0.6
87.00904	1.3
95.01399	4.6
96.99346	0.6
97.02982	0.9
101.02444	2.2
107.01402	6.5
109.02961	1.0
110.00100	0.7
111.00893	5.6
113.02455	0.7
121.02972	0.9
123.00899	27.5
123.04524	0.6
124.01641	1.9
125.02465	23.1
126.02758	0.9
127.00377	2.4
135.04533	0.8
136.98814	2.6
137.02438	1.6
138.03246	0.6
139.00394	9.0
139.04007	2.0
140.01170	9.5
141.01950	2.3
149.02463	0.6
151.00381	7.3
151.03999	1.2
152.00999	0.5
153.01909	0.9
154.99823	0.9
161.02415	0.6
163.04059	0.8
166.06392	3.6
166.99904	4.5
167.03470	1.0
167.07086	3.6
168.00664	13.9
168.02005	1.0
169.01442	28.3
170.01768	0.6
177.04062	1.7
179.03543	1.5
180.04248	0.8
181.01329	0.6
181.05128	1.2
181.08740	3.1
182.02318	0.7
183.03006	4.2
193.01364	0.8
195.06664	0.7
197.04610	1.2
211.02501	6.4
229.31485	0.6
271.04730	2.5
329.05304	1.2
329.12509	5.3
330.12726	0.6
343.14111	1.3
480.12613	1.1
494.14355	1.8
495.15173	7.3
496.15536	1.3
505.21317	0.7
509.16919	1.6
553.22656	0.9
705.24017	100.0
706.24402	22.3
736.89532	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24540	0.6
54.06534	0.7
57.03436	1.0
87.04523	1.5
100.21403	0.7
109.06593	1.7
111.04523	7.8
113.09743	10.2
123.08158	4.2
135.04585	0.8
146.97118	0.8
147.08086	0.7
161.09708	1.1
165.09227	1.1
167.07123	3.7
179.10762	3.7
181.08719	62.2
182.09114	4.0
190.02765	0.9
205.04942	0.8
205.08711	2.6
209.08220	4.8
215.07106	0.8
217.12321	2.9
219.06747	1.0
221.08125	1.3
241.12440	0.8
246.05382	1.6
247.06056	1.7
247.09819	1.4
248.06892	6.0
249.07599	3.5
255.23439	0.9
257.11832	0.9
259.06107	2.0
260.06812	1.0
261.07590	4.7
261.11276	3.0
267.14093	0.8
269.08438	0.8
269.11801	1.1
271.09637	1.7
274.08466	2.1
285.11264	1.3
287.09290	1.1
289.07562	1.5
289.10846	31.4
290.11209	1.9
297.39688	0.8
301.07248	1.6
303.12433	1.4
309.11099	1.2
311.09024	0.9
313.10776	9.2
314.11163	0.9
315.08795	3.1
329.10406	1.6
329.17593	1.4
331.11908	2.8
337.10757	0.9
339.15967	0.9
353.10226	1.7
354.11124	0.9
357.09723	1.4
357.16977	1.2
373.16577	10.4
383.14944	2.4
397.16769	1.2
399.10846	1.7
401.16055	13.9
402.16498	1.9
425.16071	8.6
426.16269	1.6
469.15042	100.0
470.15384	15.8
523.19739	44.8
524.20264	8.4
576.55463	1.0
705.29590	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.326
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	11.7
61.98828	80.6
71.01387	60.4
73.02948	4.9
80.96482	5.8
81.03416	5.3
83.05042	7.4
84.20386	3.9
88.57458	4.5
89.02462	5.5
96.95985	6.6
99.00875	4.7
108.02197	5.7
116.92870	6.7
121.53233	4.5
123.00888	4.6
123.04549	10.1
124.01655	4.4
125.02477	10.0
125.09706	5.5
136.01782	6.1
137.02400	7.7
149.02406	12.3
164.04840	8.8
165.05566	10.2
169.12326	4.9
171.10306	5.1
179.07162	13.9
191.25542	4.5
199.13342	5.4
201.11411	4.3
205.12447	4.6
207.10266	21.1
209.08298	5.5
209.11841	100.0
210.12193	10.0
211.13437	42.8
212.13747	10.8
223.13417	54.6
224.13739	5.4
225.11337	16.0
227.12863	26.1
228.72527	6.1
232.64514	4.1
235.08278	4.8
243.12514	5.5
253.09314	12.5
273.70917	4.2
301.00031	6.4
314.72287	4.0
327.12137	4.5
341.10251	13.2
376.96524	4.3
412.27423	4.5
442.58255	5.5
445.20862	7.8
459.22598	5.2
651.33624	5.9
673.34454	11.1
676.36725	5.6
705.31812	33.2
706.32764	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	705.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.7
60.57629	0.6
70.08862	0.5
71.24920	0.5
109.06608	1.6
111.04527	10.3
113.09736	6.5
123.08190	1.7
123.14230	0.7
125.02462	0.8
139.04019	0.9
140.96593	0.7
151.07658	3.0
165.09230	2.4
166.06299	0.8
167.07124	0.8
173.82588	0.6
181.08713	36.0
182.09032	2.3
195.06651	10.7
196.06848	0.8
209.08192	9.2
210.08586	0.8
217.08646	0.6
227.07208	1.2
247.09801	0.7
249.11365	1.8
259.09799	1.2
273.11368	2.7
275.12979	0.9
277.21661	0.8
283.09756	2.4
287.12830	2.3
289.14429	5.0
297.11313	3.3
301.10901	3.3
311.09778	0.7
312.10202	1.1
313.14471	4.1
315.12360	9.5
316.12744	1.1
339.08759	1.0
339.12558	1.6
355.15582	1.4
357.13498	4.2
367.19321	1.7
383.14667	0.7
399.14417	1.3
411.18311	0.9
425.19781	3.7
437.12473	1.4
469.18729	100.0
470.19147	17.4
479.24500	1.3
523.23407	31.0
524.23822	6.0
700.72626	0.6
705.32611	9.9
706.32465	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	705.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53721	1.7
57.03450	3.8
58.29827	1.6
61.61502	1.7
61.98832	13.5
69.03448	1.7
71.01407	1.7
71.05030	1.9
78.95898	1.6
81.03451	3.7
81.84759	1.6
83.01392	8.6
93.03465	4.8
95.05042	4.5
97.02969	6.4
101.71278	1.7
107.05006	2.0
108.02145	2.4
109.02969	28.6
109.06581	2.8
111.04512	14.2
121.02927	5.1
123.04546	19.7
125.02441	16.1
131.71353	1.7
137.02461	65.9
138.03201	5.5
139.04070	9.0
145.02972	3.3
149.02435	5.7
149.29909	1.8
151.04028	17.6
161.02502	3.0
161.06078	7.9
162.03210	2.7
163.04050	3.5
164.01167	5.8
165.01901	8.5
165.09206	5.7
166.02722	8.4
167.03503	3.1
175.04024	4.2
175.07635	2.7
176.62094	1.9
177.05525	2.3
179.03516	6.5
183.60605	1.6
187.04010	5.5
188.04736	3.4
191.03525	3.5
191.07135	9.7
193.08650	4.2
202.06412	4.1
203.07153	18.5
205.05072	12.6
207.06580	6.7
208.07419	36.6
209.08148	16.0
219.06633	16.8
221.08221	4.8
233.08205	4.5
245.08176	24.5
247.06035	2.6
247.09766	55.3
247.12357	3.3
248.10097	3.8
261.11328	2.5
262.12109	8.6
263.12863	15.5
289.07202	92.5
290.07520	6.3
291.12595	1.9
294.10980	2.2
297.08087	2.1
299.12946	2.7
341.10687	1.9
343.11685	11.1
343.19254	2.1
344.12372	2.5
361.20230	77.6
362.20660	7.3
371.26233	1.8
401.16129	3.5
402.16754	4.3
409.66846	1.8
415.24921	74.2
416.25250	12.3
425.23294	3.9
467.24298	2.5
493.21838	2.1
554.28986	3.6
705.32825	100.0
706.32825	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	10.2
61.98834	44.0
71.01383	9.0
71.05064	1.8
71.27897	1.5
71.28392	1.5
72.99307	2.1
73.02935	3.5
80.02695	1.7
81.03451	1.7
83.01387	2.1
83.05025	6.4
85.02966	2.9
87.00830	1.9
89.02448	4.9
96.95991	3.2
97.02960	1.8
101.02438	6.0
107.01397	6.1
108.02174	2.6
111.00827	1.9
113.02425	5.6
121.02984	3.0
123.00909	7.2
123.04530	4.1
124.01675	2.0
125.02460	55.6
126.02791	2.6
135.04541	1.6
135.08246	2.3
137.02419	2.4
137.63168	1.9
139.00412	3.6
139.04005	5.2
140.01164	3.7
141.18787	1.5
149.02426	1.8
149.55273	1.6
151.00351	4.6
151.03922	1.9
155.10776	2.4
163.03993	2.0
163.11278	4.5
165.01878	2.4
165.05524	2.5
165.12872	1.7
166.99895	1.5
167.03496	2.5
168.00655	10.7
169.01436	81.9
169.12366	2.0
170.01753	3.3
171.10260	4.4
179.03432	1.7
179.05705	2.0
181.01355	2.0
190.12772	1.6
193.01399	5.8
201.11363	2.0
207.10210	1.9
209.11839	100.0
210.12204	7.8
211.02472	30.7
212.02794	2.3
215.17412	1.5
225.11249	2.9
227.04129	1.5
227.12920	15.7
235.02513	1.8
235.08144	2.4
241.03598	1.8
253.03400	2.0
253.09206	6.2
259.15396	2.3
271.04614	22.8
272.04843	1.7
273.07535	1.7
288.73489	1.5
299.05658	2.1
313.05515	4.6
331.06812	2.4
361.13058	1.7
372.23868	1.8
373.25992	9.2
391.27066	3.4
423.05737	5.0
470.54752	1.6
547.03424	1.6
551.39435	1.6
553.22772	5.0
650.30579	1.6
687.27490	1.9
705.23718	90.2
706.24158	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	705.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94839	1.0
58.38780	0.9
59.01381	12.9
61.03990	1.0
61.98833	1.3
82.95427	1.0
84.46089	1.0
88.98801	2.1
105.03486	1.4
119.05045	7.8
121.02978	1.6
125.89951	1.0
132.02173	13.9
133.02994	11.2
134.03769	3.7
135.04478	1.2
136.01688	9.9
137.02428	3.9
147.04556	8.9
153.05603	6.6
160.01669	53.1
161.02245	3.5
163.04060	1.4
175.04013	45.2
176.04308	2.8
177.01981	2.4
179.03441	1.1
192.04338	9.5
193.04979	1.6
298.49957	1.1
405.67065	1.1
507.10739	1.1
581.48853	1.1
601.39417	1.4
645.38586	1.5
661.40784	3.3
662.41632	1.2
705.40118	100.0
706.40479	31.9
728.21759	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4011
Annotation	Tabernaelegantine A
Peak:m/z	Relative Intensity
57.94985	0.4
59.01387	5.5
61.98843	0.5
69.11276	2.6
69.11678	1.0
72.16668	0.5
72.46372	0.4
79.39743	0.4
105.03416	0.8
110.29886	0.5
115.15824	0.4
119.05052	1.1
121.02957	0.5
132.02191	13.0
133.02986	7.2
134.03738	1.7
136.01668	1.9
137.02475	0.7
138.92365	0.5
147.04555	1.5
149.02509	0.7
149.06090	0.5
153.05620	1.0
160.01669	49.8
161.01978	2.3
164.04820	0.9
175.04013	46.7
176.04401	2.0
177.01950	1.3
192.04327	2.1
193.04950	0.6
233.64409	0.5
241.99469	0.6
388.25912	0.5
453.33768	14.0
453.40103	0.7
454.34061	2.9
469.33521	1.1
624.08618	0.6
645.38019	12.9
646.38269	4.0
690.37787	1.0
705.40100	100.0
706.40387	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.0901
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68364	1.4
53.77624	1.4
61.98832	6.5
63.54069	1.4
71.01371	2.5
71.29109	1.8
73.63173	1.5
93.25297	1.5
107.01412	9.2
123.00891	6.5
125.02458	33.8
126.02735	1.6
137.02463	2.6
139.04045	2.4
151.00443	2.6
151.50197	1.6
169.01436	42.5
183.03062	1.7
221.76920	1.4
269.98032	3.3
270.98871	26.4
271.01633	2.9
283.99585	2.8
285.00400	6.7
286.01172	2.7
297.97592	4.4
298.98343	40.9
299.99127	33.0
300.99744	3.1
313.00049	12.0
313.05624	16.6
314.00711	48.5
315.01428	25.8
316.01801	1.7
328.02167	1.7
329.02972	12.8
477.06760	2.1
584.72986	2.2
643.09424	100.0
644.09650	15.1
705.23761	2.9
706.24377	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	706.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.9
61.98832	100.0
68.87031	0.3
69.16792	0.4
71.01388	0.6
71.27728	0.2
71.28181	0.3
83.01430	0.4
85.02928	0.3
89.02449	0.3
96.96038	0.4
101.02460	0.3
108.02211	0.8
116.92949	0.3
123.00940	0.4
123.04511	0.6
125.02496	0.9
137.02481	0.5
138.03305	0.4
139.04070	0.3
142.07675	0.2
149.02432	0.3
160.29784	0.3
161.02492	0.4
164.04871	0.5
165.12878	0.3
167.03526	0.4
169.01517	0.3
177.05623	0.5
179.03589	0.3
183.13884	4.3
183.15353	0.4
184.14214	1.5
207.10355	0.3
209.08342	0.8
209.11853	3.2
210.12160	1.5
219.06750	0.9
227.12982	0.6
239.38112	0.3
253.09398	0.5
325.10999	1.3
326.11319	0.9
343.12027	0.5
457.33630	0.5
464.22607	0.3
485.32846	0.3
674.34686	4.8
675.35333	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3812
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	8.0
61.98814	3.1
71.01389	4.1
72.92635	1.9
73.02950	2.5
75.20356	1.9
89.02453	3.1
96.95992	2.8
101.02470	4.3
113.02455	2.4
119.03463	3.1
125.02423	7.4
137.02480	2.9
153.94513	2.0
164.04773	2.5
164.25220	2.0
165.05600	2.4
169.01431	3.6
195.06502	4.2
210.04094	2.0
234.98967	2.4
289.07257	2.7
328.58304	2.3
425.30759	9.4
426.31061	3.7
441.30154	5.5
455.31827	18.8
456.32336	2.5
471.31131	5.3
473.29199	3.4
489.32220	100.0
490.32501	20.7
501.32260	18.8
502.32825	3.0
507.33417	4.2
533.31226	14.5
543.33411	3.9
591.22894	3.5
650.76160	2.1
687.11902	2.1
706.38373	2.7
708.72180	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	706.3812
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	8.0
61.98814	3.1
71.01389	4.1
72.92635	1.9
73.02950	2.5
75.20356	1.9
89.02453	3.1
96.95992	2.8
101.02470	4.3
113.02455	2.4
119.03463	3.1
125.02423	7.4
137.02480	2.9
153.94513	2.0
164.04773	2.5
164.25220	2.0
165.05600	2.4
169.01431	3.6
195.06502	4.2
210.04094	2.0
234.98967	2.4
289.07257	2.7
328.58304	2.3
425.30759	9.4
426.31061	3.7
441.30154	5.5
455.31827	18.8
456.32336	2.5
471.31131	5.3
473.29199	3.4
489.32220	100.0
490.32501	20.7
501.32260	18.8
502.32825	3.0
507.33417	4.2
533.31226	14.5
543.33411	3.9
591.22894	3.5
650.76160	2.1
687.11902	2.1
706.38373	2.7
708.72180	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	706.3813
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	15.1
61.79895	0.7
61.98827	14.7
64.92020	0.7
68.97656	0.7
71.01387	7.9
72.82381	0.7
73.02940	0.9
83.01394	1.3
85.02964	2.2
88.98823	1.8
89.02440	6.9
95.01438	0.7
95.83283	0.8
96.96026	1.1
101.02464	5.4
113.02448	1.9
119.03510	2.0
123.04517	1.5
125.02476	2.6
135.04504	0.8
137.02408	1.0
140.00041	0.8
149.02441	1.0
151.03978	1.5
153.12910	0.7
159.40543	0.7
164.04820	0.8
169.01410	3.4
179.03416	0.7
179.05650	0.8
199.09827	0.9
209.11816	4.3
209.18376	0.8
210.12163	2.4
210.74767	0.8
219.36978	1.0
225.11386	0.7
227.13029	0.9
253.09433	0.9
258.61758	0.8
303.84778	0.9
455.31857	4.0
457.33322	4.9
485.33130	3.7
501.32224	5.7
502.32513	1.0
663.37512	100.0
664.27118	1.6
664.37927	24.9
706.24176	3.0
707.29407	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3817
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32215	1.4
59.01388	5.2
61.98835	14.2
71.01382	2.5
84.00910	1.8
87.33546	1.4
101.02444	2.3
103.52139	1.5
109.02928	2.3
113.02454	3.6
123.04549	3.5
125.02496	4.1
137.02406	2.4
137.35135	1.6
139.04041	4.3
151.04094	2.5
161.02489	1.9
169.01459	2.5
179.50102	1.7
186.41547	1.7
193.01462	2.1
271.63617	2.0
298.58218	1.8
318.07077	2.6
337.03864	1.5
343.15399	3.4
501.32266	100.0
502.32721	21.1
659.85681	1.8
668.39966	2.1
706.38110	7.0
707.37909	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	706.3825
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11755	0.9
59.01379	10.1
61.69994	1.1
61.98832	24.1
69.03474	1.3
71.01377	4.5
71.28394	1.3
82.95419	1.5
84.00917	1.5
89.02451	4.3
93.03474	1.1
94.98098	3.8
95.01316	1.2
96.96039	3.9
101.02454	2.8
107.01388	1.1
108.02172	1.9
109.02963	1.6
111.00877	1.6
113.02444	3.0
114.01954	1.0
119.03503	1.9
121.02982	1.5
122.03770	1.7
123.00921	1.2
123.04524	5.0
125.02506	8.4
135.04514	2.5
137.02441	3.6
139.11217	1.6
139.41679	1.2
145.32974	1.2
146.08261	1.4
148.05469	1.0
150.03192	1.3
151.03995	2.0
153.05544	1.9
155.10786	2.6
161.02409	2.6
161.04543	2.2
163.07649	1.2
164.04779	2.7
165.01898	1.4
165.05571	2.8
168.00725	1.8
169.01410	7.4
171.10324	2.1
179.05664	1.6
179.07071	1.2
183.10326	2.3
195.06720	1.3
197.11827	3.3
204.05124	1.5
209.08298	1.6
209.11838	3.0
210.12347	1.4
211.02534	2.0
244.02299	1.1
271.04572	2.3
299.99350	1.5
301.00034	1.7
373.25986	2.3
476.05490	1.2
483.07736	4.3
501.32269	100.0
502.32663	20.9
543.33362	2.2
574.17957	1.4
688.32770	1.4
706.26794	1.9
706.39197	2.6
707.26593	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	707.1005
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37362	0.5
56.78256	0.6
57.03439	1.4
57.79198	0.6
57.79708	0.5
70.97438	0.5
77.53344	0.5
79.95748	3.4
81.03462	0.7
93.03456	0.8
96.96019	100.0
109.02966	1.4
121.02943	0.6
123.00869	0.8
125.02456	13.7
130.81111	0.6
137.02443	4.7
139.04037	1.8
149.02472	0.9
151.04031	0.8
165.01944	1.7
167.03496	1.9
175.04063	1.3
177.01935	9.1
177.05498	0.7
178.02328	0.5
179.03531	1.5
187.04053	1.0
189.01915	0.8
204.04254	0.7
205.01479	0.6
217.05118	0.9
219.06499	0.7
221.04646	0.7
229.04813	0.7
231.02994	1.2
234.21111	0.6
243.03001	1.4
255.02989	2.5
256.03497	0.9
261.04056	0.8
273.04053	1.2
283.02563	1.6
285.04053	0.6
297.04196	0.6
301.00052	0.6
303.05133	0.8
305.06677	7.0
370.82422	0.6
371.00885	1.2
386.61832	0.6
403.61047	0.5
423.07248	9.4
424.07846	1.5
441.08249	7.8
442.08655	1.0
479.03189	3.5
483.09326	0.8
606.58771	0.7
609.12677	3.4
647.07220	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30099	0.6
58.41138	0.6
58.88853	0.6
59.01385	5.4
61.98848	3.2
67.01887	1.4
69.03452	1.1
70.57378	0.8
71.01378	3.1
71.05020	1.2
72.99301	1.3
75.36747	0.7
79.01864	1.3
83.01390	1.1
84.95134	1.9
85.00446	5.9
85.02955	2.0
87.00851	1.0
89.02462	1.3
95.01406	1.7
97.02953	0.9
98.22565	1.3
99.00905	0.9
101.02434	1.9
107.01398	7.9
109.02978	0.7
111.00886	2.6
113.02456	1.8
117.58666	0.6
123.00902	8.5
123.04414	0.8
124.01643	2.1
125.02460	39.5
126.02800	1.9
127.00374	1.4
136.98843	2.1
137.02388	0.7
139.00394	4.2
140.01161	5.0
141.01930	2.1
148.67824	0.6
151.00360	7.3
153.01976	0.8
155.10852	0.7
160.04060	0.9
166.99854	1.2
167.03462	0.7
167.99350	1.3
168.00638	10.1
169.01437	51.9
169.12360	0.9
170.01813	2.9
181.01436	0.9
185.11798	1.7
190.96683	0.6
193.01451	0.8
193.05017	0.8
201.11433	0.9
209.11852	3.1
211.02426	3.2
212.02524	0.7
237.04013	1.1
253.03723	0.8
271.04630	0.9
272.04926	0.8
286.45963	0.7
295.04587	1.0
309.20612	1.0
313.05759	5.1
359.19217	0.7
385.11487	2.6
409.31277	0.8
428.49817	0.8
439.32211	0.8
473.32571	5.3
485.32980	3.2
508.37103	0.8
537.12567	1.9
537.23578	5.4
537.30872	0.8
538.24457	1.1
545.86005	0.8
555.24548	9.0
556.25116	1.8
578.96228	0.8
607.64215	0.8
675.32507	2.1
689.24359	1.5
707.25500	100.0
708.25848	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00322	1.0
78.95894	1.3
81.03448	3.4
85.51746	0.8
95.05047	1.5
98.21751	2.3
102.29249	1.0
103.39305	0.9
109.06518	1.0
111.04547	1.4
122.03744	0.9
123.08194	2.0
125.02484	4.4
125.06084	3.3
128.00333	0.8
139.03998	3.3
144.82356	0.8
151.07652	4.3
165.09213	24.9
166.09508	2.0
179.10791	7.7
181.08701	4.5
191.07033	1.4
195.06636	16.2
207.06844	1.1
209.08202	100.0
210.08525	6.8
219.06642	6.5
223.09763	23.0
224.10057	1.5
225.07675	1.5
233.08180	5.2
247.06143	17.0
248.06436	1.6
249.11171	0.9
261.07715	19.8
262.08109	2.0
263.12988	4.4
275.12869	1.0
277.14490	1.8
277.21799	0.9
279.12399	1.3
355.11682	1.3
368.16324	1.2
369.13156	1.6
411.14532	1.1
427.21246	2.4
445.22318	3.2
457.15033	20.3
458.15445	3.2
459.23502	1.2
471.16190	27.7
472.16595	6.3
497.25604	1.2
525.21271	2.9
707.31085	8.2
708.31720	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	707.381
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99310	18.3
61.98833	1.2
63.91056	0.7
71.01382	1.3
88.98814	100.0
89.99163	1.0
100.99512	0.7
101.02493	0.7
137.02490	1.3
140.84346	0.6
184.80379	0.6
201.03067	0.7
277.21777	0.8
321.98285	0.6
338.03976	0.7
383.35217	2.1
545.40112	1.4
637.16718	0.6
695.24438	0.7
707.46240	6.1
708.45300	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4031
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.0
58.00586	0.7
58.12421	0.6
59.01382	34.6
60.99285	0.6
61.98829	8.2
67.01889	0.8
69.08792	4.7
71.01394	7.9
71.05024	0.9
72.57401	0.6
72.60846	0.7
72.99326	0.7
73.02936	1.7
79.01892	0.6
81.03437	0.8
85.02934	2.0
87.00875	1.2
88.98792	0.8
89.02421	2.4
95.01369	1.8
97.02943	2.0
98.22580	1.4
98.64351	0.6
101.02448	4.9
107.01402	5.2
111.00865	1.8
113.02446	4.1
115.75690	0.6
119.03478	1.8
120.53989	0.6
121.02949	0.7
123.00887	5.8
123.04514	0.9
125.02452	29.6
126.02765	2.5
127.02898	0.6
136.46725	0.6
136.98862	0.8
137.02428	1.2
139.00423	3.2
139.04019	1.5
140.01189	1.6
149.02426	0.7
151.00357	4.6
153.01871	1.0
160.04001	1.0
161.04500	1.7
163.04080	0.8
164.04797	1.4
167.03398	0.8
168.00662	4.5
169.01439	36.8
169.12393	0.7
169.55872	0.6
170.01826	4.4
171.01889	1.7
171.10313	2.9
172.10562	0.9
175.04062	0.7
179.03474	1.0
179.07275	0.8
193.01416	0.9
199.13289	0.7
201.11356	1.8
204.26587	0.8
207.10353	1.0
209.11836	8.0
210.12262	0.7
211.02496	4.0
212.02812	1.7
213.02869	1.0
225.11288	1.0
227.12981	1.4
253.09314	0.9
271.04651	2.4
272.04987	1.5
295.04755	1.1
299.05722	0.8
313.05679	3.1
349.18799	0.8
350.29105	0.7
373.25845	0.8
375.27600	1.3
379.30157	1.5
391.30307	1.1
393.31677	0.9
401.28299	0.9
407.29456	1.0
409.31213	10.4
410.31180	1.8
421.31088	3.7
439.32190	13.5
440.32672	2.6
441.33841	1.6
445.33417	1.1
455.31702	1.8
473.32758	100.0
474.33099	19.8
485.32776	7.1
486.33218	0.9
492.79440	0.8
502.32767	0.7
503.34033	4.2
517.31622	4.7
519.21765	0.7
527.33875	2.3
537.13330	0.6
537.23456	2.7
555.24451	7.6
556.25043	2.0
582.90991	0.7
675.32025	1.0
707.25256	72.2
708.25665	17.8
708.37946	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4379
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	3.0
71.01378	1.6
78.95889	0.7
85.02966	1.1
89.02455	2.0
91.19644	0.4
98.22540	1.1
101.02449	1.9
111.04521	1.2
111.44186	0.5
113.02472	1.2
119.03494	0.5
121.03238	0.5
125.02451	0.4
159.81232	0.4
167.14452	0.6
181.08759	4.1
183.13922	7.5
184.14247	0.6
193.12372	1.8
195.06650	0.9
207.06532	0.6
209.08224	2.2
211.13408	100.0
212.13722	6.4
223.09752	0.5
235.08301	1.4
253.09251	5.7
277.21741	53.3
278.22079	5.8
289.10529	0.5
355.11880	0.8
427.21664	0.9
447.22754	2.6
448.22574	0.6
471.15869	0.7
471.21408	0.6
547.11603	0.6
707.36871	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.0
58.02982	1.2
69.03452	1.3
70.02981	0.4
71.69371	0.3
81.03475	0.5
83.01403	0.6
84.68841	0.3
95.05056	0.3
97.02964	1.3
99.99667	0.3
107.01443	0.5
107.74353	0.3
109.02983	0.8
116.92901	0.3
123.00914	0.8
123.04514	0.3
123.39292	0.3
124.01678	0.7
125.02458	56.5
125.85998	0.3
126.02788	1.5
137.02451	2.0
139.04025	1.2
141.44643	0.4
147.04515	2.1
149.02483	0.7
161.02481	3.2
163.70078	0.3
164.01311	0.3
164.07193	5.1
165.01936	1.2
167.03497	1.7
168.03920	0.4
168.77693	0.3
169.01440	100.0
170.01767	3.6
177.01994	0.7
177.05563	0.8
179.03526	1.0
193.01462	2.3
201.01869	0.3
203.03535	0.4
206.08234	7.3
207.08485	0.4
219.06654	1.0
221.04488	0.7
229.01501	0.5
229.47470	0.4
243.03014	0.5
243.06392	0.3
261.03961	0.4
261.07654	0.3
269.04590	0.8
273.37119	0.4
275.01999	0.5
287.05563	1.6
300.99762	1.8
305.06723	5.1
331.04623	1.9
438.03174	0.3
442.16281	0.4
457.07742	8.8
457.14066	0.5
458.08105	0.9
553.94885	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20370	1.0
59.01380	1.0
61.98834	100.0
66.06934	0.9
71.48079	0.9
81.23888	1.0
94.21105	1.1
101.30826	0.9
111.93672	0.9
133.02968	14.9
135.04559	4.6
137.02467	1.4
149.46895	1.0
153.89745	1.0
161.02451	41.5
162.02782	3.6
165.46434	1.0
179.03477	3.0
179.09492	1.0
223.13405	3.5
599.34039	1.5
601.35223	20.2
602.36066	4.8
645.34326	51.1
646.34729	13.7
648.36334	1.2
708.38507	9.5
709.38391	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.3968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21159	1.8
59.01389	3.2
61.98829	2.8
72.81182	1.8
77.68243	2.0
84.00886	2.2
88.34712	1.5
90.59795	1.7
132.29558	1.8
141.43001	1.6
165.48761	2.1
195.70224	1.8
217.87549	2.0
297.41248	1.8
503.33832	100.0
504.34192	20.4
592.05298	1.8
665.38715	2.9
708.39539	16.7
709.39966	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	708.3968
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	6.5
61.98820	1.7
69.02934	3.2
69.03352	6.6
70.01756	0.9
71.01375	1.2
73.02944	1.2
84.00922	1.7
89.02437	1.7
94.10659	1.0
95.58871	1.0
101.02430	3.1
109.06567	1.3
111.00903	1.4
119.03527	2.0
123.04522	1.0
124.01642	1.1
125.02451	5.6
161.02312	1.3
168.00674	1.4
169.01463	5.9
204.03333	1.1
204.05132	2.3
211.02313	1.3
212.12292	1.1
271.04620	1.6
373.27490	3.0
443.31696	3.8
453.30273	3.1
485.32825	6.1
487.30652	79.6
501.32159	2.0
503.33841	100.0
504.34216	17.2
708.22961	1.6
708.39429	3.9
709.23590	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.397
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04090	0.9
52.15350	0.8
54.46638	0.9
55.59244	0.8
55.72441	0.9
59.01390	1.6
61.98848	1.0
78.83372	1.0
82.87158	0.9
84.00914	3.3
92.11573	0.8
98.22540	2.3
99.60619	0.9
101.02479	1.0
115.60339	1.0
123.00888	0.9
125.02463	10.0
126.02833	1.3
137.02524	1.1
155.88037	0.9
169.01450	12.6
170.01801	2.2
204.05191	1.3
438.37762	1.0
453.30225	2.9
485.32745	5.3
486.32590	1.3
503.33838	100.0
504.34232	16.5
616.26471	1.1
665.38580	1.6
708.26190	1.5
708.39807	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	708.3972
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	23.7
61.98838	7.6
62.45237	2.0
69.04590	13.9
69.04993	4.5
71.01382	2.9
71.30495	2.0
73.57507	2.0
84.00908	3.6
101.02417	2.5
101.91834	2.3
119.03469	2.8
151.04070	2.3
171.10274	2.7
186.92033	2.1
200.04153	2.0
247.37172	1.8
485.32785	16.3
486.33078	63.1
487.34045	17.1
503.33820	100.0
504.34195	22.3
708.40167	18.6
709.40002	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	708.4915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33113	0.3
61.98835	100.0
66.42348	0.3
67.09915	0.3
67.97343	0.3
71.29303	0.4
71.30532	0.3
83.53155	0.3
96.96051	0.6
121.28159	0.4
133.03015	0.5
137.02408	0.3
161.02486	1.3
192.36008	0.3
218.92487	0.3
255.86578	0.4
279.23233	0.3
331.24927	0.9
529.35181	0.6
601.35388	0.4
645.34875	1.6
645.49591	3.5
646.49963	0.4
708.40045	0.5
709.35144	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38211	1.4
59.01386	16.5
60.99291	1.5
61.98833	24.2
71.01378	5.9
71.28306	2.6
72.99299	2.2
85.02973	1.9
88.98804	1.7
89.02448	2.7
95.01402	2.4
96.96008	2.0
101.02460	1.9
107.01385	4.1
111.00867	1.8
112.48245	1.2
113.02435	1.9
116.92850	5.1
123.00889	5.8
123.04549	2.2
125.02443	22.2
133.02934	1.3
137.02425	1.9
139.00365	2.5
151.00368	3.0
151.04018	2.5
161.04535	1.3
163.04007	1.6
165.05579	1.9
166.99782	1.6
168.00655	3.5
169.01424	19.5
169.96841	1.5
170.01817	2.2
171.01874	1.5
191.03447	2.4
191.07182	1.3
193.08643	2.8
207.10316	2.4
209.11855	9.4
227.12868	3.7
276.00079	1.3
327.12158	1.7
393.31512	2.7
425.30429	1.8
467.19229	22.0
468.19577	4.7
487.34372	100.0
488.34689	11.9
503.33865	3.7
504.34082	4.0
619.20331	48.2
620.20654	12.1
709.25348	10.7
709.38159	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	709.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38211	1.4
59.01386	16.5
60.99291	1.5
61.98833	24.2
71.01378	5.9
71.28306	2.6
72.99299	2.2
85.02973	1.9
88.98804	1.7
89.02448	2.7
95.01402	2.4
96.96008	2.0
101.02460	1.9
107.01385	4.1
111.00867	1.8
112.48245	1.2
113.02435	1.9
116.92850	5.1
123.00889	5.8
123.04549	2.2
125.02443	22.2
133.02934	1.3
137.02425	1.9
139.00365	2.5
151.00368	3.0
151.04018	2.5
161.04535	1.3
163.04007	1.6
165.05579	1.9
166.99782	1.6
168.00655	3.5
169.01424	19.5
169.96841	1.5
170.01817	2.2
171.01874	1.5
191.03447	2.4
191.07182	1.3
193.08643	2.8
207.10316	2.4
209.11855	9.4
227.12868	3.7
276.00079	1.3
327.12158	1.7
393.31512	2.7
425.30429	1.8
467.19229	22.0
468.19577	4.7
487.34372	100.0
488.34689	11.9
503.33865	3.7
504.34082	4.0
619.20331	48.2
620.20654	12.1
709.25348	10.7
709.38159	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	709.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00189	0.4
58.00592	1.1
58.89669	0.4
59.01382	25.3
60.01723	0.5
69.51237	0.7
69.51642	1.6
71.01390	6.2
72.99307	1.6
76.13174	0.4
83.01424	0.4
89.02451	5.3
90.92261	0.4
96.02997	0.4
101.02448	4.3
119.03497	0.7
123.00867	0.6
125.02489	1.2
145.07718	0.7
146.04916	0.5
160.06427	6.3
161.07217	35.9
162.07596	2.1
169.01483	1.2
175.08778	27.0
176.09096	1.9
189.06706	74.5
190.07060	4.7
201.01950	0.6
203.08267	27.4
204.08589	1.4
217.09814	0.5
229.01291	0.5
229.09821	1.3
275.01944	1.3
276.02078	0.5
295.13046	0.9
299.98941	0.6
300.68314	0.4
300.99969	4.6
302.00357	1.2
305.11475	1.2
323.12488	100.0
324.12790	10.1
340.11832	0.5
392.17377	0.5
427.30496	0.5
505.00803	0.6
633.08167	0.9
634.07629	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	709.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	7.6
61.98834	2.2
69.03481	1.6
70.13689	3.0
71.01382	9.9
72.23814	1.1
78.47867	0.9
81.03468	1.4
83.05042	2.9
84.02173	0.9
85.02972	1.7
86.04778	0.9
87.00855	1.4
89.02451	3.5
97.02972	3.3
101.02451	4.9
109.06604	13.9
113.02458	2.1
113.90791	0.9
119.03516	1.2
121.06615	1.1
125.02410	1.1
125.99963	1.0
135.08179	1.2
145.05087	1.2
161.04558	2.4
163.11272	7.2
165.12880	1.4
171.10181	1.3
181.08691	0.9
181.12357	1.3
183.13908	16.9
183.66556	1.0
184.14214	1.2
189.09245	1.1
193.12392	2.1
207.10266	41.0
208.10628	3.6
209.11819	8.3
211.13402	100.0
212.13686	7.3
225.11328	22.5
226.11646	1.1
227.12993	3.4
235.08287	4.6
247.29402	0.9
253.09259	10.4
342.41068	1.0
373.23984	3.0
383.22418	2.1
391.24985	3.1
401.06436	1.2
401.23282	5.7
402.23932	1.0
419.24414	2.5
443.19138	1.7
447.22357	1.6
461.20520	7.4
487.34338	1.3
628.56189	1.1
637.32031	6.7
655.33368	12.1
656.34113	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	709.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91713	4.3
58.34153	5.0
59.01381	10.1
61.98829	16.1
66.10081	5.5
66.15903	4.2
69.02113	4.4
69.03132	42.3
70.05817	4.8
73.02979	4.3
96.95986	5.5
98.22638	8.4
101.02398	4.4
108.41292	4.3
110.40986	5.2
116.23797	4.7
123.04589	8.8
133.66254	4.8
135.08293	5.1
163.03931	4.4
171.10243	5.8
182.52328	5.0
183.13898	9.9
199.09790	33.8
207.10321	12.6
209.11778	6.1
211.13390	100.0
225.11360	11.6
327.12378	9.8
447.22275	10.0
611.30859	7.1
655.32703	6.3
709.35803	7.7
710.23187	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	709.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60963	0.2
57.03449	0.3
58.00580	0.9
59.01389	4.2
61.98807	0.3
69.03471	0.2
69.14372	1.6
69.14766	0.5
71.01391	1.1
72.99300	0.3
73.02957	4.5
85.02927	0.6
89.02443	0.3
97.02909	0.9
98.22589	0.4
99.91409	0.2
101.02428	0.4
107.04963	0.3
109.06528	0.2
109.67850	0.2
113.02418	0.7
119.03467	0.3
137.06046	0.4
169.01387	0.3
292.80316	0.2
325.87836	0.3
337.25400	0.2
341.24902	0.2
357.27872	0.5
381.27823	0.3
383.29385	1.0
385.31012	0.9
395.29810	0.2
397.30978	0.5
407.29846	0.3
411.28571	0.2
413.30777	0.5
415.31918	1.0
425.30887	1.1
437.30499	0.6
443.31369	0.5
453.30054	0.5
454.31042	0.2
455.31281	0.4
465.29742	0.6
483.31064	0.3
487.30417	100.0
488.30801	20.6
501.32190	6.1
502.32199	0.9
505.34982	0.4
529.31659	10.0
530.32111	2.3
571.32446	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.381
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72872	0.2
57.03424	0.5
58.00609	1.1
59.01385	6.3
59.04698	0.2
61.98795	0.6
61.99090	0.2
63.48961	0.2
69.97647	0.6
71.01385	1.6
72.03181	0.2
72.99302	0.3
73.02953	5.8
75.00833	0.2
85.02960	1.1
85.08037	0.2
87.74142	0.2
89.02425	0.3
93.03430	0.2
95.01422	0.2
95.04990	0.2
96.95999	0.2
97.02974	1.2
101.02412	0.7
111.00851	0.3
113.02387	0.7
116.92838	0.2
119.03446	0.3
125.02396	0.7
137.06134	0.5
149.02286	0.2
161.04500	0.3
169.01399	0.3
171.62924	0.2
341.24530	0.2
357.27686	0.6
358.28098	0.3
381.28036	0.4
383.29633	1.3
385.31033	0.8
389.25366	0.3
393.31671	0.4
395.29282	0.5
397.31229	1.0
407.29266	0.3
409.27115	0.2
411.28574	0.3
413.30637	0.3
415.31815	0.8
425.30899	1.0
437.30389	0.8
441.29791	0.3
443.31152	0.4
453.29761	0.8
455.31726	0.9
465.29993	0.5
483.30493	0.4
487.30310	100.0
488.30621	17.7
501.32147	6.1
502.32593	1.1
504.33673	0.3
511.30017	0.4
529.31653	10.1
530.31860	2.2
709.22913	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91745	0.5
59.01382	0.5
65.00314	0.8
81.03461	3.6
85.02965	1.3
85.06570	0.5
99.08132	0.6
101.06080	0.6
104.19324	0.4
108.31405	0.5
109.02998	0.6
109.06644	1.1
111.04523	1.3
113.09707	2.5
123.08186	2.5
125.02453	4.1
125.06084	6.2
137.02388	0.8
141.09250	0.6
147.08162	0.7
151.00407	1.1
151.07664	1.5
152.07973	0.6
159.60861	0.5
165.09216	26.7
166.09552	2.3
167.07127	0.7
180.13217	0.5
181.08713	14.4
182.08994	1.1
183.06552	0.6
191.07182	1.0
193.08688	1.9
195.06615	5.4
196.06960	1.0
199.20995	0.6
207.06670	3.0
209.08200	100.0
210.08542	8.3
211.08774	1.2
219.06596	0.9
221.08206	1.4
223.09715	0.9
225.07701	0.9
229.29196	0.6
233.08148	0.8
233.15474	2.1
247.05954	0.6
249.11415	0.6
256.25952	0.6
261.07703	0.8
263.12888	1.3
265.10916	0.9
277.14456	26.2
278.14850	2.5
317.13956	0.7
345.20825	1.1
370.13892	0.5
459.23917	55.3
460.24249	8.9
472.20560	0.7
473.18387	2.0
527.22772	0.5
527.30023	3.1
709.36108	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	709.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.5
58.00581	0.5
58.29094	0.5
58.29876	0.4
58.69411	0.4
59.01382	21.6
61.98836	14.9
71.01385	3.2
71.27810	0.4
72.99310	0.6
73.02959	0.5
75.40791	0.4
79.72707	0.4
85.02962	0.9
85.19644	0.4
87.00905	0.5
88.98815	1.0
89.02463	2.9
94.35033	0.3
96.96033	0.6
97.02982	0.4
101.02438	2.6
109.02939	0.5
113.02456	1.5
116.92897	0.6
119.03534	1.7
125.02438	1.1
134.03778	0.7
135.04482	0.5
137.02444	1.0
149.05966	0.4
151.03993	0.8
161.04594	0.8
164.04800	0.6
165.01909	0.4
165.05563	0.4
167.03531	0.4
169.01390	0.7
178.02748	0.4
179.05635	0.6
191.03508	0.5
193.05127	1.2
205.05109	0.5
209.11838	6.1
210.12184	0.5
211.13420	0.4
221.06599	0.7
227.12976	1.4
234.66750	0.4
243.71529	0.4
252.08282	0.4
280.07153	0.4
289.07382	0.5
323.09341	1.1
487.34372	100.0
488.34680	18.4
501.35669	1.2
504.33878	0.6
505.35068	0.5
529.35760	0.5
649.38708	0.6
651.41296	0.5
655.32642	0.5
709.28638	2.1
710.30005	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93125	0.3
52.78464	0.3
59.01382	30.7
61.98837	3.6
62.43398	0.3
62.61798	0.4
71.01382	0.8
73.86953	0.4
75.96426	0.3
83.17879	0.3
101.02448	0.9
103.97944	0.3
107.50674	0.3
113.02489	0.5
120.37386	0.3
124.19479	0.3
135.23268	0.3
161.04587	0.5
235.68230	0.4
236.85704	0.3
239.21429	0.3
283.06372	0.4
381.13660	0.9
487.34326	100.0
488.34665	16.5
529.35345	0.9
540.22095	0.4
649.39496	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.418
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44017	0.3
53.78805	0.4
54.20486	0.3
58.00587	0.4
59.01381	45.6
60.01712	0.5
60.93213	0.4
61.98834	8.6
69.03475	3.4
71.01386	2.1
72.99279	0.5
73.02946	0.5
75.00890	2.0
85.02945	1.0
89.02444	1.6
95.01360	0.5
98.21653	0.4
101.02452	2.2
103.97256	0.4
106.59193	0.4
113.02441	2.0
119.03493	1.6
125.02470	0.6
151.04056	0.4
161.04561	1.0
201.39525	0.3
204.57355	0.3
312.47604	0.4
435.22937	0.4
486.32935	0.6
487.34332	100.0
488.34698	18.5
501.35941	0.7
504.34476	0.6
529.35437	2.1
530.36273	0.5
649.39679	0.7
709.41913	0.8
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
57.03443	1.3
58.00596	1.8
59.01383	27.8
61.98837	4.5
71.01395	4.8
71.29616	0.9
72.89973	0.7
73.02956	7.9
81.37354	0.6
82.05519	0.8
83.05024	0.7
85.02950	2.1
89.02451	2.4
96.95985	1.0
97.02948	1.6
101.02464	2.1
108.02184	1.2
111.00896	2.4
113.02471	2.6
118.89442	0.8
119.03532	1.2
123.00903	1.2
123.04523	1.0
124.01672	0.8
125.02459	3.9
133.96071	0.7
137.02461	0.9
151.04028	1.0
161.02473	1.2
161.04581	1.2
164.04886	0.8
169.01442	3.7
169.31387	0.7
179.07164	0.8
202.96875	0.7
315.56683	0.7
383.29532	2.4
389.25552	1.9
393.31689	2.4
395.29388	0.9
397.31100	0.9
415.32269	1.3
425.30783	1.1
441.34366	0.8
455.31769	4.0
467.79706	0.8
487.30353	80.6
487.34418	100.0
488.30640	15.3
488.34955	17.2
501.32162	16.9
502.32590	3.8
504.34164	3.2
505.35120	2.1
529.23407	1.4
529.31879	11.1
530.31567	1.4
536.00720	0.8
649.39343	0.8
651.26465	0.8
709.23779	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	709.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.8
59.01386	5.5
61.98836	21.2
69.41869	5.0
71.01377	4.2
73.02950	1.1
83.01429	0.8
83.05038	1.8
85.02967	2.4
85.06612	1.4
87.00883	1.8
87.04525	1.7
89.02475	1.6
95.05026	2.9
97.06587	7.3
99.00881	1.7
101.02441	5.1
109.02973	1.9
109.06590	1.3
111.04539	10.5
113.02492	1.7
113.06122	1.5
113.09679	1.2
123.08129	1.2
125.02490	2.2
125.06101	1.8
141.05589	1.2
149.09747	1.0
149.14946	1.0
151.07671	2.2
151.11299	19.5
151.12494	1.2
152.99623	1.2
153.09229	1.0
169.05089	9.8
169.12341	48.8
170.12679	2.2
171.10335	2.5
177.05583	1.9
177.09254	1.1
181.08722	8.7
183.06670	1.1
195.06631	16.7
195.08336	1.2
195.10229	4.7
207.06686	4.0
209.08237	3.1
213.11308	8.6
221.08244	2.1
225.07716	1.6
235.05992	0.9
235.08148	2.1
241.14481	2.1
247.09769	1.0
249.12122	0.9
249.15077	1.6
253.09276	4.5
265.07190	6.2
277.21741	61.2
278.22180	6.0
293.13980	2.1
353.19769	1.5
365.19824	4.1
368.31793	1.0
393.19116	1.0
411.20200	9.1
431.19531	3.3
449.20447	3.8
473.14124	1.3
473.22208	1.8
579.91132	1.1
593.00970	0.9
629.33258	11.4
630.04199	1.1
647.34271	20.2
655.57043	0.9
709.41803	100.0
710.42059	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	709.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.0
59.01381	7.8
69.03461	1.2
69.23948	5.6
71.01392	6.2
73.02956	1.2
78.95908	1.0
81.03487	0.8
83.01403	1.7
85.02971	2.1
87.00908	1.3
89.02450	3.4
95.05037	1.0
97.06596	3.7
101.02459	3.6
109.02956	2.3
111.04527	5.7
113.02470	3.1
119.03481	1.5
125.02498	1.3
151.07687	1.4
151.11282	15.2
152.99611	1.2
161.04553	1.3
164.14635	0.8
169.12352	100.0
170.12689	5.5
171.10251	1.7
174.62758	0.9
181.08737	4.0
183.06752	1.2
195.06647	6.4
195.10280	3.1
207.06627	4.8
209.08195	1.9
213.11325	11.6
221.08138	5.4
235.06166	1.1
235.08253	1.4
237.07628	0.9
239.09045	1.1
253.09271	2.7
265.07220	7.3
273.11264	1.1
277.21738	23.2
278.22122	3.0
375.71021	1.1
431.19302	2.4
449.20291	7.3
450.20901	1.0
473.14575	3.3
473.21780	2.4
709.29608	3.0
709.41687	75.5
710.29761	1.6
710.41956	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	710.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17779	0.6
54.44861	0.6
55.78924	0.6
61.98835	100.0
69.06461	4.8
78.91897	7.1
88.98831	2.1
98.22643	1.2
120.18643	0.6
132.00757	0.7
133.02986	8.7
134.03719	0.8
135.04564	2.1
139.04579	0.7
145.95641	0.8
161.02451	28.5
162.02829	1.4
226.02266	0.7
631.36676	1.9
647.35925	49.8
648.36243	13.8
672.03564	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
62.92341	0.4
71.30043	0.4
72.61501	0.4
114.37111	0.5
120.49194	0.4
133.02995	1.2
134.03798	0.5
135.04552	0.9
137.02473	0.7
161.02426	2.1
179.03561	0.9
468.87698	0.5
530.35706	0.4
533.67725	0.5
603.37152	1.2
604.37689	0.6
647.35980	10.9
647.46094	0.7
648.36328	2.9
660.24463	0.4
675.99384	0.5
717.69745	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48928	0.4
61.98834	100.0
69.05825	1.2
69.06244	1.7
116.92851	0.4
129.92918	0.4
133.02982	2.3
135.04588	1.2
161.02449	6.8
161.03720	0.4
179.03601	0.7
268.04630	0.3
279.23404	0.3
289.30682	0.3
374.35538	0.3
601.35059	0.4
602.34985	0.3
603.36877	3.6
604.37378	0.9
647.35901	14.5
648.36261	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	710.355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82044	0.9
59.01376	1.5
61.98835	100.0
70.56332	1.2
70.56687	1.9
88.98814	2.0
107.07859	1.0
133.02959	17.2
134.03568	1.0
135.04579	4.7
161.02455	69.1
162.02785	4.0
171.00462	0.9
179.03467	2.9
227.80942	1.3
251.66568	1.2
277.21716	2.2
282.44412	1.2
327.11682	1.0
397.13461	5.9
415.14523	2.1
647.35913	74.9
648.36224	21.8
711.33105	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	710.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
88.98780	1.0
121.03001	0.9
123.12001	0.9
128.17343	0.8
133.02959	10.1
134.03738	1.3
135.04543	28.8
155.84064	0.8
161.02455	26.3
162.02783	1.2
179.03496	22.8
184.77795	0.9
230.99803	0.8
239.31624	0.8
312.20215	0.8
328.73489	1.0
371.62967	0.8
399.24060	1.0
416.38727	1.0
524.00525	0.9
603.37085	3.5
638.26422	0.9
647.35931	52.5
648.36304	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	710.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	0.4
61.98836	100.0
69.13996	2.1
84.86597	0.3
96.96046	0.3
105.30151	0.3
128.50787	0.3
144.35181	0.3
191.12770	0.3
193.56528	0.3
243.06606	0.8
315.00369	0.3
436.61212	0.3
518.13885	0.3
648.87354	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3763
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51208	0.1
59.01374	0.3
61.98834	100.0
89.63091	0.1
125.02458	0.1
133.02914	0.1
204.56538	0.1
209.12018	0.1
233.95094	0.1
313.00024	0.2
474.33185	0.3
476.33777	0.2
488.35052	0.2
489.35886	0.1
539.61469	0.1
569.79663	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42344	0.5
59.19274	0.4
60.76963	0.5
61.98832	100.0
63.55730	0.4
64.95470	0.5
98.22526	1.6
109.72440	0.5
116.92891	1.0
125.62687	0.4
129.08850	0.5
133.02972	0.6
161.02502	0.9
322.25208	0.6
369.56140	0.6
452.12427	0.5
544.85675	0.5
554.41730	0.6
571.38354	0.8
647.39722	2.2
648.40356	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91423	1.8
54.34701	1.7
57.03466	1.9
58.71238	1.8
59.01379	2.2
61.98843	3.5
63.76857	2.0
68.97349	7.3
68.97770	12.7
71.01371	3.1
85.02917	2.1
87.04545	2.5
101.02458	2.2
111.04521	7.6
112.25342	2.3
113.09691	3.6
125.06136	2.4
141.68564	1.9
159.48102	2.2
165.09131	2.2
169.05122	2.8
171.10278	84.0
172.10660	3.7
181.08708	15.8
195.06711	4.4
203.03702	2.1
207.06664	3.5
209.08192	7.7
221.08293	3.2
235.08249	2.7
253.09253	8.3
255.23239	2.7
275.09265	2.9
277.21756	100.0
278.22092	8.7
318.54413	2.1
475.23434	13.7
529.27887	2.1
730.72974	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	711.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59820	1.1
53.46643	1.1
59.01385	8.0
61.74740	1.1
61.98835	21.4
62.59537	1.1
71.01372	4.8
72.39428	1.2
73.02953	1.4
85.02955	2.8
89.02454	2.1
91.01887	3.7
93.03439	2.3
96.96031	1.2
99.39924	1.1
101.02448	2.1
101.14109	1.1
108.02193	2.1
109.02964	3.4
111.00876	2.0
113.02478	2.1
119.01385	7.0
121.02972	5.8
123.00893	4.0
123.04525	2.6
124.01667	4.2
125.02393	1.7
126.69283	1.1
134.03722	3.4
135.04546	3.3
136.01677	27.5
137.02457	9.1
147.00908	7.0
147.04572	1.1
148.05325	2.2
149.02455	18.7
149.06033	2.0
150.03085	1.6
151.04019	26.3
160.01660	1.7
161.02504	1.3
163.04018	3.7
164.04790	17.9
165.01935	2.9
165.05602	5.3
169.05154	1.2
170.85667	1.1
175.00377	44.0
175.07707	1.8
176.01015	3.8
177.01877	1.1
178.71863	0.9
179.07088	5.7
189.01964	2.0
189.09131	1.0
190.02727	100.0
191.03275	8.5
191.07115	1.9
201.11305	2.2
205.05066	93.5
206.05339	6.2
207.10263	2.4
208.03661	1.9
209.04582	1.8
209.11798	5.6
211.13493	7.8
223.06122	19.4
224.06441	1.3
225.11258	1.5
227.12845	1.3
247.06172	2.1
295.09763	1.9
298.04813	1.6
299.05478	1.9
310.11920	1.3
328.13177	4.4
329.13904	7.3
343.11859	2.8
343.15564	19.6
344.15939	2.5
352.07956	1.5
353.08884	1.6
367.10345	99.7
368.10580	9.3
472.35297	1.4
488.35297	1.3
489.35190	3.4
502.70435	1.1
507.36493	1.2
517.16589	1.8
651.40961	3.0
665.68909	1.3
684.77576	1.4
711.26514	61.9
712.26959	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	711.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.8
58.52703	0.9
58.81193	0.9
59.01381	28.3
61.98834	34.6
69.46029	3.2
71.01387	9.5
72.99300	1.4
73.02940	5.8
75.00882	1.6
83.01404	1.6
85.02966	2.6
85.63471	0.9
89.02468	3.8
93.03490	1.7
95.01438	1.0
97.02976	1.0
100.97601	0.9
101.02445	4.8
108.02171	2.2
108.56271	0.9
109.03001	2.1
113.02486	2.8
119.03488	1.3
121.02973	7.5
122.03759	1.1
123.04512	5.2
125.02486	1.6
134.03754	2.2
135.04538	3.2
136.05244	1.0
137.02388	1.1
138.06853	2.3
145.02960	2.0
147.04475	1.4
149.06042	1.5
151.04057	1.5
151.07672	2.0
152.08466	1.9
153.09207	6.4
160.05331	1.0
161.04626	1.6
161.06097	1.1
163.07668	1.0
163.11345	2.5
164.04817	1.4
179.07243	1.0
205.12325	8.5
207.10333	1.0
209.11879	2.8
211.13387	1.0
212.08443	1.2
221.08249	1.8
223.07700	1.0
227.12993	1.0
239.07185	1.4
240.07848	2.4
251.07178	3.2
252.07869	3.9
253.05080	2.4
253.08647	1.0
254.05746	1.0
255.06804	1.1
256.07538	1.8
266.05850	2.4
267.06589	8.1
267.09259	1.2
268.07416	27.0
269.08081	4.8
271.09717	3.2
271.13589	1.1
283.09781	21.0
284.10464	4.0
297.11450	2.1
299.12952	3.6
311.09247	2.2
315.09116	1.3
325.10776	8.6
343.11880	25.9
344.12228	2.7
385.13089	5.8
421.28839	0.9
489.36105	35.8
490.36731	5.5
503.34116	2.1
533.51221	1.1
711.30286	100.0
712.30713	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	711.3353
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78749	1.4
59.01385	8.6
61.98835	100.0
65.29951	1.5
71.01378	3.6
82.33310	1.9
89.02429	4.5
96.96066	1.5
101.02436	3.2
113.02420	1.9
116.92838	3.0
117.40473	1.6
119.03522	2.0
121.02937	2.1
125.02417	1.6
136.01668	1.5
161.02412	5.4
162.68394	1.5
179.03835	1.4
179.05576	2.4
193.71712	1.5
198.91391	1.4
246.11920	1.7
274.21780	1.4
277.21725	11.6
297.44577	1.5
397.13525	30.9
398.13956	3.2
415.14584	10.1
435.66116	1.7
464.40540	1.8
629.33807	3.8
648.35846	5.7
649.37170	6.2
711.33368	10.2
712.34283	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	711.3965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19867	0.2
58.00598	1.1
59.01378	5.2
61.98826	0.3
67.38208	0.2
71.01357	0.7
73.02953	3.7
85.02947	0.5
89.02445	0.4
93.03465	0.2
98.22619	0.4
99.49498	0.2
101.02466	0.5
109.02885	0.2
111.29956	0.2
113.02462	0.6
115.62293	0.2
119.03498	0.4
145.79828	0.3
150.65044	0.2
161.04483	0.3
187.10146	0.2
190.33966	0.2
357.02332	0.2
375.27158	0.3
377.28470	0.4
383.29773	1.5
384.29755	0.3
385.31100	1.8
386.31653	0.3
397.31021	0.5
409.31168	0.3
413.30814	0.4
415.32321	1.6
425.30545	0.5
437.30664	0.8
445.33121	0.4
471.30972	0.4
489.32230	100.0
490.32596	19.0
503.33951	2.9
504.34167	0.8
513.32202	0.3
531.33276	7.0
532.33417	1.3
651.37445	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73789	0.4
57.03459	0.5
58.00589	1.4
59.01383	4.5
66.79059	0.4
69.24625	2.9
71.01370	0.6
73.02958	7.4
79.25845	0.4
85.02902	0.6
98.21854	1.0
102.38069	0.4
107.23413	0.5
113.02448	0.5
140.75752	0.4
141.22578	0.4
145.87350	0.4
197.03581	0.5
309.16721	0.5
357.28079	0.6
378.82440	0.5
413.30151	0.5
415.32605	0.6
445.33249	1.5
455.31375	0.5
489.32224	100.0
490.32544	16.4
503.33820	2.3
531.33398	5.0
532.33765	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3969
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76198	0.2
57.03430	0.3
58.00592	0.3
58.21101	0.2
59.01382	10.3
61.98835	1.7
69.24951	0.9
71.01376	0.6
83.01382	0.3
85.02945	0.4
89.02442	0.7
98.35769	0.2
101.02414	1.2
109.06586	0.3
113.02438	0.7
119.03526	1.0
123.00866	0.2
125.02467	0.3
135.69174	0.2
137.02412	0.2
139.04022	0.2
367.30060	0.4
381.27939	0.7
382.28201	0.3
383.29453	2.2
384.29938	0.3
395.29562	0.9
409.27530	0.2
411.29227	0.3
413.30762	0.5
415.32513	1.4
416.32513	0.5
443.31400	0.3
445.32532	0.7
489.32239	100.0
490.32590	16.7
503.34091	1.8
531.33215	1.6
696.22174	0.2
711.39124	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69301	0.2
57.03436	0.8
58.00583	0.6
59.01382	9.4
59.11726	0.2
60.87199	0.2
71.01382	0.9
72.91124	0.3
84.73395	0.2
85.02959	0.4
89.02449	0.5
96.96004	0.3
97.12239	0.2
101.02456	0.9
104.73096	0.3
108.02228	0.3
109.06636	0.3
111.00883	0.5
113.02442	0.6
119.03528	0.8
161.04457	0.3
228.95695	0.3
262.94635	0.2
383.29465	1.2
395.29846	0.5
397.31042	0.6
413.30624	1.8
414.30847	0.3
415.32190	3.8
416.32547	0.6
455.31815	0.4
489.32245	100.0
490.32593	18.7
503.34055	2.2
531.33502	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.4116
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.0
68.37372	0.6
70.65169	0.7
83.05038	1.5
85.02972	0.9
87.04508	0.9
94.86648	0.7
95.05058	0.8
107.05045	1.5
109.06618	3.5
111.04539	5.0
111.08185	1.8
113.09719	5.9
120.05785	0.7
121.06629	1.0
123.08169	3.8
125.02449	0.8
125.06111	8.5
125.09756	2.0
127.07771	0.8
151.04074	0.9
151.07697	2.7
153.05542	1.2
161.09735	1.4
163.11307	10.0
164.11674	0.9
165.09229	1.5
166.02773	3.9
167.07150	1.7
168.00580	0.7
169.05101	1.1
169.12410	1.4
170.52434	0.7
177.09244	2.3
177.13023	0.8
179.07161	1.2
179.10724	1.3
181.08723	48.4
182.09070	3.0
183.06638	1.1
183.13963	3.4
191.10852	5.2
195.06662	6.6
196.07080	1.3
196.80206	0.7
207.06583	1.9
208.07454	1.3
209.08180	6.6
221.08257	3.6
221.15425	1.3
222.08934	1.8
223.09840	1.4
224.06911	2.1
225.07751	3.0
226.08014	1.0
233.08191	0.9
235.09795	4.8
237.14934	1.1
239.16541	4.3
261.11429	1.1
277.14545	1.6
353.76401	0.9
391.21497	1.2
431.20926	2.5
443.13715	1.1
451.03989	0.9
461.18808	1.1
461.19977	0.6
461.25488	40.3
462.25864	5.6
475.27203	100.0
476.27475	18.0
529.31848	31.3
530.32141	6.6
700.29633	0.8
711.39435	3.6
722.88635	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96292	0.5
59.01383	26.4
61.98832	2.8
71.01389	1.0
71.28957	0.5
73.02934	1.9
85.03007	0.6
88.98804	1.4
89.02459	1.4
96.96019	3.4
101.02444	1.1
105.57334	0.5
113.02444	1.0
116.92882	0.7
119.03497	1.4
125.02483	1.1
147.85579	0.5
169.01422	1.0
197.37732	0.4
209.08206	0.6
209.11508	0.5
238.27380	0.5
323.39539	0.5
364.04315	0.5
409.31415	0.8
411.32455	1.2
441.33765	0.8
443.35504	1.2
445.33426	0.8
473.55542	0.5
489.36426	100.0
490.36871	20.0
490.84793	0.5
503.33197	2.7
506.35400	0.8
531.33215	1.7
632.10468	0.5
651.10522	1.1
651.40790	0.6
701.86761	0.6
711.27979	0.7
712.43005	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.4327
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00592	0.3
59.01382	14.3
59.53569	0.3
61.98834	14.9
65.59716	0.2
69.06815	2.0
70.70461	0.3
71.01386	1.5
73.02953	0.5
74.30399	0.3
75.00854	0.2
85.02943	0.6
86.39468	0.2
88.98809	0.6
89.02444	1.2
96.96046	0.5
101.02468	1.1
106.06438	0.3
107.45880	0.3
113.02462	0.9
116.92888	0.3
119.03519	0.8
121.02985	0.5
123.00858	0.3
123.04563	0.7
133.02971	0.4
134.03749	0.5
135.04518	0.6
141.49716	0.2
149.06131	0.3
151.03979	0.5
161.02481	1.0
161.04515	0.4
167.03555	0.4
177.01871	0.4
179.03571	0.3
191.03488	0.5
193.05118	0.5
209.11839	1.6
211.13428	0.3
218.53137	0.3
227.12906	0.6
232.21475	0.3
255.14236	0.3
283.09879	0.4
284.03293	0.8
298.04855	0.4
299.05612	0.7
315.08633	0.4
343.11713	1.3
385.12750	0.5
411.32706	0.3
443.13538	0.5
443.35019	0.5
463.42920	0.4
489.35910	100.0
490.36224	20.3
503.36926	0.4
517.51740	0.3
531.36829	0.9
651.40924	1.7
667.23724	0.8
711.30750	0.9
711.43097	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.433
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67929	0.4
59.01091	0.5
59.01381	7.6
60.32325	0.3
61.98835	18.3
69.09366	1.8
69.09776	1.0
71.01392	2.0
72.99315	0.5
73.02953	3.4
74.21555	0.4
75.00890	0.5
85.02946	0.6
88.98812	0.5
89.02489	0.9
96.96068	0.5
97.02888	0.4
101.02461	1.1
109.02919	0.5
113.02469	1.0
116.92884	1.0
119.03515	0.6
121.02981	1.1
123.04548	1.0
125.02489	0.4
134.03773	0.7
135.04559	0.9
137.02480	0.5
147.04550	0.3
149.02469	0.8
152.01134	0.5
153.09190	0.5
157.58279	0.3
161.02394	0.5
161.04634	0.6
164.04758	0.5
165.05597	2.0
175.03989	0.4
177.05536	0.6
179.03436	0.5
179.07137	0.5
191.03506	0.6
192.06104	0.4
193.08728	0.5
201.36278	0.3
205.12444	0.6
209.11816	1.9
210.14516	0.4
211.13531	0.5
227.12967	0.7
244.81215	0.4
252.07965	0.5
267.06622	0.6
268.07428	1.9
269.07962	0.7
283.09729	1.3
284.10281	0.6
299.05563	0.5
325.10956	1.5
343.11850	2.4
366.58838	0.4
371.28030	0.4
371.34573	0.4
384.13742	0.5
385.12842	0.8
386.13391	0.5
398.09518	0.4
399.32666	0.6
415.32211	0.6
487.34525	0.5
488.34808	0.8
489.35956	100.0
490.36276	19.5
503.37656	0.4
531.36987	1.0
592.36554	0.4
651.41058	1.8
693.29504	0.5
711.30487	7.7
712.31256	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	711.4331
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00607	0.3
59.01384	7.2
59.15498	0.1
61.98837	4.4
69.35295	1.1
71.01398	0.9
73.02952	4.1
75.00906	0.3
83.01353	0.1
85.02951	0.2
86.91132	0.2
88.98820	0.3
89.02438	0.3
93.31189	0.1
101.02428	0.4
106.99145	0.1
113.02451	0.3
114.46197	0.1
119.03479	0.3
125.02451	0.4
161.02507	0.2
164.64531	0.2
169.01453	0.2
193.05074	0.2
250.18411	0.2
265.10397	0.3
298.05667	0.2
369.31985	0.2
397.31323	0.4
399.05722	0.2
399.32648	0.7
400.33380	0.2
407.33221	0.5
415.32275	0.5
425.34222	0.3
429.34094	0.7
443.35840	0.2
445.32126	0.2
489.35898	100.0
490.36237	18.6
503.32806	0.2
531.36682	0.8
532.37378	0.3
651.41180	1.3
652.41223	0.4
675.16705	0.2
711.29895	0.2
711.42877	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.4327
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00592	0.3
59.01382	14.3
59.53569	0.3
61.98834	14.9
65.59716	0.2
69.06815	2.0
70.70461	0.3
71.01386	1.5
73.02953	0.5
74.30399	0.3
75.00854	0.2
85.02943	0.6
86.39468	0.2
88.98809	0.6
89.02444	1.2
96.96046	0.5
101.02468	1.1
106.06438	0.3
107.45880	0.3
113.02462	0.9
116.92888	0.3
119.03519	0.8
121.02985	0.5
123.00858	0.3
123.04563	0.7
133.02971	0.4
134.03749	0.5
135.04518	0.6
141.49716	0.2
149.06131	0.3
151.03979	0.5
161.02481	1.0
161.04515	0.4
167.03555	0.4
177.01871	0.4
179.03571	0.3
191.03488	0.5
193.05118	0.5
209.11839	1.6
211.13428	0.3
218.53137	0.3
227.12906	0.6
232.21475	0.3
255.14236	0.3
283.09879	0.4
284.03293	0.8
298.04855	0.4
299.05612	0.7
315.08633	0.4
343.11713	1.3
385.12750	0.5
411.32706	0.3
443.13538	0.5
443.35019	0.5
463.42920	0.4
489.35910	100.0
490.36224	20.3
503.36926	0.4
517.51740	0.3
531.36829	0.9
651.40924	1.7
667.23724	0.8
711.30750	0.9
711.43097	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3562
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68957	0.2
58.00621	0.2
59.01380	3.4
60.20286	0.2
60.37478	0.2
61.98834	100.0
62.72037	0.2
62.99277	0.3
69.26688	1.3
71.01395	0.6
73.02960	0.3
85.02978	0.3
89.02474	0.4
98.22552	0.4
101.02451	0.3
111.00960	0.3
119.03547	0.3
193.47835	0.2
244.43605	0.2
252.40311	0.2
329.03015	0.3
458.34277	0.2
487.30927	0.9
488.30746	1.2
489.36569	6.8
490.36761	20.0
491.37112	1.7
712.36023	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62559	0.4
59.47365	0.5
61.98835	100.0
63.17636	0.6
63.19180	0.4
71.28298	0.8
76.47316	0.4
80.52606	0.4
83.84447	0.5
96.96016	0.4
100.83173	0.4
133.02982	4.3
134.03793	0.8
135.04579	1.5
137.02525	0.7
161.01132	0.8
161.02469	15.0
162.02849	0.7
162.22888	0.5
179.03580	0.5
223.42853	0.4
277.28214	0.5
371.82635	0.5
649.37469	23.7
650.37750	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	712.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91064	0.2
61.98834	100.0
66.26565	0.2
71.45733	0.2
75.15241	0.2
78.91912	0.9
109.03001	0.7
116.92876	0.3
137.02478	0.3
161.02518	0.4
165.01994	0.4
177.01826	0.2
229.90770	0.3
561.02118	0.2
571.38171	0.3
605.38739	0.5
649.37378	3.5
650.38110	0.7
665.45471	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23188	0.3
56.26077	0.3
60.06998	0.3
61.98835	100.0
65.95934	0.3
69.18441	2.0
78.91911	0.4
78.95923	0.5
84.38124	0.3
88.98816	0.4
109.02972	0.4
111.22764	0.3
116.92859	0.4
133.03000	1.1
134.03787	0.4
135.04547	3.5
161.02464	2.1
177.02020	0.5
179.03551	2.2
215.09282	0.3
294.28348	0.3
587.37811	1.5
588.38464	0.6
649.37390	6.1
650.37933	1.8
725.34369	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3705
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16460	0.1
61.42295	0.1
61.98833	100.0
62.98533	0.2
66.80444	0.1
78.91908	0.8
88.98837	0.1
121.02996	0.1
129.44791	0.1
133.02974	0.5
134.03766	0.4
135.04602	0.3
137.02455	0.5
139.04007	0.1
161.02470	1.4
161.03763	0.1
162.02853	0.2
178.02771	0.3
179.03558	0.3
247.48653	0.1
353.17905	0.3
355.19437	0.3
368.20062	0.1
369.20654	0.9
370.21643	0.2
400.19037	0.1
571.37994	0.4
572.38763	0.1
587.37683	0.2
590.79059	0.1
615.36951	0.2
632.40308	0.1
649.37427	2.7
650.37689	0.7
675.39728	0.2
676.39429	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	0.2
61.98834	100.0
69.49643	0.2
69.73921	0.9
78.91895	4.7
79.38571	0.2
80.91684	4.5
87.84277	0.2
90.25697	0.2
94.12154	0.2
133.02998	0.5
134.03786	0.3
135.04550	0.4
137.02496	0.4
161.02477	1.1
168.46056	0.2
178.02777	0.3
216.44270	0.2
301.14709	0.2
353.17914	0.2
355.19269	0.4
369.20877	0.5
587.38159	0.6
631.37103	0.4
649.37494	3.8
650.37842	0.9
653.35071	0.6
712.46771	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80243	0.2
61.98835	100.0
69.98705	0.2
74.20333	0.2
78.95934	0.2
80.29150	0.2
89.32307	0.2
89.64173	0.2
96.96117	0.2
116.92882	0.4
125.09697	0.2
133.03006	0.7
135.04547	0.3
161.02422	1.7
182.04933	0.2
427.18747	0.2
486.81573	0.3
591.37000	0.2
649.37543	7.1
650.38141	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	712.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08467	0.3
61.98835	100.0
74.86094	0.3
78.91893	0.7
82.83369	0.3
106.52919	0.3
121.87296	0.4
133.02965	0.7
135.04558	0.5
161.02495	1.2
161.18886	0.3
177.01979	0.4
228.05957	0.3
470.56815	0.3
500.18631	0.4
618.70276	0.4
647.63501	0.4
649.37402	8.1
650.37836	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	712.371
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35125	0.6
58.19492	0.6
59.01375	0.8
61.98835	100.0
65.53146	0.7
69.15283	4.1
69.15699	1.9
85.18125	0.7
100.00141	0.6
100.32718	0.6
129.27345	0.7
131.82397	0.6
132.02209	0.7
133.02971	10.1
135.04541	2.7
137.02425	1.1
161.02458	38.7
162.02841	1.6
177.06944	0.7
179.03494	1.3
320.66263	0.7
649.37531	46.1
650.37830	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	712.371
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
69.01909	2.5
69.02328	4.8
108.68989	0.7
116.92865	1.0
130.14465	0.7
133.02940	2.7
135.04530	2.3
137.02390	0.8
161.02435	8.5
176.85147	0.9
179.03497	2.5
206.03072	0.8
215.88228	0.7
325.83142	0.8
479.62827	1.0
587.37561	2.6
649.37390	17.3
650.38483	3.8
713.37622	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62559	0.4
59.47365	0.5
61.98835	100.0
63.17636	0.6
63.19180	0.4
71.28298	0.8
76.47316	0.4
80.52606	0.4
83.84447	0.5
96.96016	0.4
100.83173	0.4
133.02982	4.3
134.03793	0.8
135.04579	1.5
137.02525	0.7
161.01132	0.8
161.02469	15.0
162.02849	0.7
162.22888	0.5
179.03580	0.5
223.42853	0.4
277.28214	0.5
371.82635	0.5
649.37469	23.7
650.37750	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	712.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86713	0.2
59.01388	2.2
60.01684	0.2
60.99312	0.4
61.01819	0.2
61.98834	100.0
64.81013	0.2
65.47852	0.2
71.01392	0.4
71.28234	0.2
72.99342	0.3
75.00878	4.3
76.01230	0.3
88.98822	2.1
89.02447	0.3
101.02464	0.3
109.02979	0.2
113.02457	0.2
134.03725	0.2
137.02483	0.2
151.00389	0.3
178.02818	0.2
179.07159	0.3
185.64268	0.2
193.05040	0.4
197.88907	0.2
212.32536	0.2
252.69542	0.2
255.03142	0.3
271.02567	0.3
300.02771	0.7
301.03452	1.0
371.24634	0.4
380.35394	0.2
463.09198	0.4
474.33246	0.4
487.34363	0.4
488.34863	1.6
489.35211	1.8
490.35818	2.8
551.24347	0.3
588.91138	0.2
653.43365	0.3
712.25891	0.3
713.30786	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3924
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.4
59.97927	0.2
61.04625	0.1
61.98833	100.0
62.98529	0.2
64.62617	0.1
65.86211	0.1
69.05677	1.0
69.06077	0.3
71.01395	0.7
78.91895	0.3
85.02968	0.2
88.98850	0.2
89.02438	0.3
96.96052	0.3
98.21767	0.3
101.02448	0.3
113.02499	0.2
115.94659	0.2
118.00715	0.1
123.04568	0.3
125.02486	0.3
134.03772	0.6
137.02524	0.2
149.02435	0.2
149.06119	0.3
151.04004	0.3
153.05591	0.3
161.04547	0.2
164.04872	0.2
190.02893	0.2
193.05165	0.6
213.07826	0.3
237.74419	0.1
259.31253	0.2
262.94818	0.2
271.02524	0.4
284.03555	0.2
299.05670	0.3
300.02875	0.3
300.05942	0.2
300.99850	0.1
301.03732	0.2
302.38562	0.2
303.52496	0.2
352.83487	0.1
359.13644	0.2
367.10583	0.2
371.24542	0.6
487.34247	0.2
489.35364	0.4
490.35855	0.8
491.35126	0.2
499.15887	0.2
592.27698	0.2
653.42706	0.5
713.24377	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.5372
Annotation	Pinelloside
Peak:m/z	Relative Intensity
51.66737	2.0
55.48569	1.6
57.03430	1.8
58.00583	5.3
59.01383	100.0
61.98826	2.2
62.61355	1.8
68.23302	1.9
71.01387	66.0
72.99307	7.5
76.62780	1.7
77.31364	1.7
78.95911	5.6
83.01400	2.6
85.02951	10.9
87.00904	3.6
89.02451	85.1
95.01391	2.7
96.04539	2.1
99.06617	1.6
101.02449	45.8
113.02461	26.5
114.42259	1.8
119.03506	46.2
120.03792	1.9
131.03500	5.6
143.03534	7.9
149.04585	2.9
152.99541	2.6
161.04581	5.6
165.69034	1.6
179.05640	14.8
189.95255	1.7
225.22322	13.4
253.21797	3.1
255.23238	1.7
271.22745	7.2
278.24951	5.5
296.25974	7.4
355.99246	1.8
471.13000	1.7
532.47394	50.1
533.47815	10.9
550.48499	21.7
551.48572	4.6
712.53912	44.2
713.54041	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	713.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52955	0.7
53.10436	0.7
59.01385	5.6
61.98836	10.5
63.02426	0.8
65.00360	1.5
68.25378	0.7
69.19756	0.6
69.89802	1.3
69.90158	2.7
70.75901	0.7
71.01386	3.4
71.15690	0.7
73.02995	1.1
83.01450	1.4
85.06718	0.7
88.98863	1.7
89.02522	2.5
93.03516	1.0
93.80192	0.7
96.96100	0.9
101.02475	1.7
107.01430	4.5
108.02226	1.8
109.03016	2.4
109.31662	0.7
111.00961	1.2
116.92961	1.4
119.01444	0.7
119.03558	1.2
121.02931	3.7
125.02509	2.4
134.03786	1.5
135.00906	0.9
135.04578	1.0
137.02477	1.0
140.01224	0.9
149.02495	1.5
151.00389	20.4
151.04036	0.8
159.04536	0.9
161.02534	0.8
163.00459	2.1
163.04041	0.8
164.01135	0.9
164.04872	1.4
169.01469	1.6
175.00420	0.8
178.99870	10.1
179.03548	0.9
190.02835	2.4
191.03558	1.2
193.05104	1.9
197.04588	0.8
201.05627	1.0
205.05083	3.6
223.06122	2.0
226.02673	1.3
227.03583	3.5
229.05107	1.5
243.02963	7.6
245.04552	0.9
253.10985	1.5
254.02449	1.4
255.03003	17.4
265.07150	1.2
271.02481	36.9
272.03094	3.9
273.04074	1.6
283.02505	2.0
299.02032	1.2
300.02777	58.0
301.03534	100.0
302.03970	8.5
315.08728	1.1
327.12558	1.1
411.16711	3.7
463.08838	24.6
464.08804	3.6
491.33664	3.4
505.35422	7.9
506.35611	1.2
507.18320	2.6
529.45422	0.9
651.19781	0.8
653.18744	1.6
654.18579	0.9
713.20612	28.5
714.20923	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	713.261
Annotation	9,9'-O-di-(E)-feruloyl-(-)-secoisolariciresinol
Peak:m/z	Relative Intensity
58.39883	1.2
60.43631	1.3
61.98836	13.6
71.29877	1.4
75.29279	1.2
85.27966	1.4
89.03964	2.0
105.03506	1.6
109.03007	1.4
116.92900	1.3
117.03470	4.4
119.05037	4.0
121.02983	2.5
130.66719	1.4
132.02191	9.9
133.02974	10.3
134.03755	68.9
135.04562	30.3
136.01620	1.2
137.02498	6.2
139.80750	1.2
140.89767	1.5
147.04562	3.8
148.05344	1.6
149.06088	5.3
160.01675	20.9
161.02458	16.7
175.04025	16.9
178.02739	7.0
179.03470	15.7
179.15376	1.5
193.05042	21.5
202.71625	1.3
207.06696	3.9
343.70023	1.5
369.13278	1.6
505.18808	1.9
519.20648	3.1
537.21240	3.0
555.17322	1.5
641.18787	1.4
651.35400	1.7
713.26062	100.0
714.26385	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	713.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18579	4.5
55.65506	4.5
59.01387	13.3
61.98834	89.7
71.01382	14.9
71.29179	6.1
72.61731	4.6
72.99311	4.3
78.91888	52.1
79.60113	5.3
81.26804	4.5
85.02918	4.8
89.02438	16.1
96.96020	8.6
101.02453	12.7
113.02441	5.0
116.92874	5.6
119.03517	5.8
124.27386	4.5
145.02948	17.8
153.81435	4.8
161.02498	6.2
161.04559	5.4
179.05563	7.0
209.42326	5.6
213.10213	4.7
213.12375	4.9
235.08263	9.3
279.23294	52.9
280.23633	7.2
310.18146	5.0
397.13489	100.0
415.14658	28.7
528.37921	6.9
633.38245	11.5
650.37701	10.4
671.32324	5.1
677.37122	8.1
688.04089	5.5
713.35089	36.0
714.35925	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	713.3907
Annotation	Unknow
Peak:m/z	Relative Intensity
59.77514	1.7
61.98827	6.3
85.02972	2.6
87.04517	2.8
95.05051	3.0
96.73133	2.0
97.06630	2.1
98.22588	3.2
99.00877	3.6
109.06593	3.9
111.04535	11.9
113.09778	3.4
116.92885	3.9
125.02419	3.5
141.05510	2.3
165.09276	3.6
169.05078	25.7
179.10674	2.6
181.08734	33.3
183.06679	2.0
195.06610	9.8
207.06557	2.5
209.08157	7.1
221.08102	3.3
223.06160	2.2
224.06970	11.8
225.07425	2.3
263.09235	2.8
271.17255	2.2
271.28723	2.1
277.21667	2.7
365.19739	2.3
393.19019	1.9
402.16937	1.8
416.12677	2.1
477.24988	100.0
478.25357	16.1
531.29840	6.6
650.35291	2.3
670.38055	5.4
713.39435	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	713.391
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	2.2
61.98816	1.3
71.28526	1.1
73.02958	1.5
83.05005	1.3
85.02953	3.6
86.22060	0.6
87.04510	2.2
90.41853	0.7
92.19458	0.6
97.06597	0.7
99.00896	3.7
99.04513	0.7
101.06074	1.1
107.05042	1.0
109.02920	0.9
109.06590	2.0
111.04562	3.4
111.27523	0.7
113.06078	1.9
113.09743	12.5
125.02426	1.0
125.06062	1.3
141.05553	0.7
151.04013	0.8
151.07588	0.8
153.01956	1.0
154.02690	1.4
155.07143	2.0
165.09175	1.6
166.06285	1.5
169.05087	17.5
170.05460	0.6
179.07140	2.2
181.08719	100.0
182.09042	6.9
193.08711	1.0
195.06648	3.3
207.06635	2.8
209.08220	6.8
209.11798	1.8
210.08682	0.9
221.08226	2.8
223.09796	2.1
224.06895	2.2
237.07674	1.0
255.08772	1.6
263.09341	1.4
263.12985	1.3
265.10892	1.0
267.23227	3.3
271.17038	1.3
277.14453	1.1
303.12302	1.9
307.11911	1.3
307.18906	0.7
321.13409	2.3
343.59845	0.9
389.19629	3.4
405.19421	0.7
407.21130	1.3
448.62790	0.8
459.20062	1.7
477.25040	33.1
478.25204	4.8
531.29541	3.1
616.57074	0.8
695.34552	2.6
696.35083	1.0
713.37512	3.4
714.36890	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3971
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54701	1.7
57.01588	1.8
59.01384	25.7
59.58417	1.6
61.98837	82.1
65.30056	1.5
69.03439	2.2
71.01385	17.1
72.99330	1.5
73.02940	4.4
76.34489	1.7
78.91872	7.8
80.91688	13.9
85.02962	4.0
87.00893	4.8
88.98811	2.2
89.02465	18.8
95.01392	2.0
97.02956	3.9
101.02455	18.6
113.02461	9.1
119.03500	5.6
122.32224	1.6
125.02463	9.0
133.02927	1.9
133.04979	1.6
143.03487	3.9
161.02422	4.1
161.04549	3.1
179.05612	6.0
215.25769	1.5
235.08218	10.1
255.23300	70.9
256.23648	5.2
305.08789	3.5
305.97318	2.2
332.07297	1.7
373.98358	1.6
375.25351	1.8
397.13519	100.0
398.14014	9.1
415.14536	22.8
415.19443	1.9
416.14734	3.3
470.50891	1.7
515.32727	1.8
548.77319	1.7
631.36017	4.7
650.37311	4.3
653.36823	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	713.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61316	0.3
59.01382	16.3
61.98820	0.3
69.57175	1.1
71.01366	0.8
87.00884	0.7
87.04490	0.3
89.02433	0.7
96.96011	1.0
99.04520	0.9
101.02415	0.7
108.02149	0.4
109.02972	0.5
111.00899	0.7
113.02439	0.7
119.03477	0.4
125.02440	0.8
145.03033	0.3
165.01839	0.4
168.00673	0.4
181.04990	0.3
191.05557	0.4
219.06664	0.8
235.09673	0.4
279.08817	1.6
331.06448	0.4
371.24374	0.4
385.30814	0.6
389.25528	1.7
390.25803	0.4
415.32114	0.9
491.33826	100.0
492.34183	21.3
504.30637	0.6
505.31290	1.2
505.36356	0.6
533.34888	0.9
653.39124	0.6
713.40686	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.412
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17262	0.3
55.74278	0.3
56.21745	0.3
58.00602	0.5
59.01383	16.3
60.01701	0.3
60.91269	0.3
71.01385	1.5
71.29810	0.4
73.02949	0.5
79.22053	0.3
85.02969	0.4
87.00900	0.6
89.02456	0.8
92.60158	0.3
95.01337	0.4
95.20900	0.3
96.96003	0.9
99.04522	0.6
101.02448	1.5
111.00883	1.3
113.02419	0.9
119.03479	0.8
125.02454	0.5
137.02443	0.5
150.03223	0.4
161.04584	0.3
163.99950	0.3
164.04733	0.3
168.00639	0.5
219.06671	0.4
235.09773	0.3
241.22827	0.4
279.08740	0.9
285.03857	0.5
313.18463	0.3
371.24695	0.4
385.31107	0.6
389.25470	1.6
405.26910	0.3
413.30692	0.4
415.32132	1.3
491.33813	100.0
492.34152	19.2
505.31458	1.4
505.36380	0.7
533.35059	0.7
535.87872	0.3
542.22992	0.3
588.27063	0.4
616.40057	0.3
653.38910	0.8
713.27808	0.5
713.40619	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4119
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74951	0.4
57.23527	0.3
58.00599	0.6
59.01382	17.4
64.16367	0.4
69.11810	2.8
71.01378	1.1
71.34203	0.4
72.53815	0.3
73.02955	2.1
78.68654	0.4
85.02959	0.9
86.96951	0.3
87.00887	0.4
89.02459	0.6
98.22543	0.7
101.02486	0.8
111.00877	0.9
113.02439	0.9
117.37432	0.4
119.03506	0.6
119.70074	0.3
125.02445	1.1
167.03503	0.7
169.01428	0.6
247.01079	0.4
267.07162	0.6
271.04703	0.4
289.50824	0.4
369.27765	0.5
383.29816	0.5
385.31088	0.5
389.25623	0.6
396.47678	0.4
413.30875	0.6
491.33871	100.0
492.34222	17.6
505.31683	35.2
506.32065	6.6
519.33514	0.9
533.35138	0.6
547.32941	1.5
653.38562	0.5
697.24255	0.5
713.40509	1.1
714.41327	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4744
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	2.7
61.98832	7.5
71.01373	0.9
75.41131	0.4
89.02451	1.1
101.16257	0.5
111.00945	0.6
119.03492	0.6
152.18861	0.5
160.24817	0.4
178.49493	0.5
179.05614	0.6
221.01918	0.4
225.16206	0.5
389.25415	0.6
426.73621	0.5
489.32053	0.9
490.32614	1.2
491.33304	3.5
677.49927	3.7
678.49719	1.3
713.47412	100.0
714.47681	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.9
61.98835	100.0
71.01396	1.1
71.28008	1.0
75.47269	0.6
83.01394	1.0
85.02995	0.7
108.02201	1.3
109.02960	1.2
123.04652	0.8
125.02475	1.5
135.04550	1.3
136.01706	2.7
137.02530	1.2
139.11357	0.9
149.02434	0.7
149.06158	0.8
151.04004	3.2
152.01183	2.8
153.02052	0.8
161.02557	1.3
163.04173	0.7
164.04836	2.2
167.03494	3.4
178.12004	0.6
179.07179	0.8
181.05069	0.9
183.10336	1.0
189.05891	0.8
197.11894	1.1
207.10277	1.1
209.11928	2.3
225.07774	0.8
225.11441	1.4
236.87381	0.7
254.99374	0.9
269.98151	5.9
285.00494	4.7
297.97574	18.1
298.98306	2.5
299.01978	0.7
301.03418	1.0
307.21600	0.8
312.99908	35.0
314.00391	3.5
327.01511	1.0
328.02249	40.4
329.02872	6.0
343.04587	84.1
344.04974	10.4
345.06284	3.2
353.03171	1.2
358.14331	0.8
359.15182	2.5
372.10983	0.8
464.09271	0.8
537.48151	0.8
553.24493	4.4
651.35999	1.4
676.21667	0.8
714.23413	1.6
715.35168	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69254	0.2
61.98833	100.0
78.04596	0.3
98.21764	0.4
118.32556	0.3
123.04498	0.3
125.09791	0.3
133.02971	3.8
133.03914	0.4
134.03780	0.3
134.54811	0.2
135.04552	1.1
137.02525	0.5
148.16556	0.2
151.72729	0.3
161.02455	11.1
162.02875	0.7
179.03503	0.3
211.13467	0.3
247.13483	0.2
607.36810	0.3
651.35406	21.5
652.35754	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	714.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57513	0.4
57.44110	0.4
61.98835	100.0
69.09409	1.2
69.09818	2.3
72.26479	0.4
84.37119	0.4
87.24182	0.4
98.27824	0.4
102.07085	0.4
108.02184	0.6
111.00848	0.5
123.04569	0.5
125.09769	0.9
133.02994	0.9
135.04562	0.5
149.02481	0.5
161.02502	2.0
161.55220	0.5
167.03578	0.5
179.03569	0.7
181.12354	0.5
188.09651	0.4
191.03650	0.4
384.79001	0.5
592.33862	0.5
651.36072	2.4
658.54413	0.6
715.43933	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.3717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.5
61.98835	100.0
70.90477	0.2
71.01407	0.3
73.02933	0.3
87.22681	0.2
90.89554	0.2
100.31144	0.2
108.14210	0.2
147.22615	0.2
176.83301	0.2
287.10480	0.2
289.16821	0.2
384.38043	0.2
484.03360	0.2
489.32745	0.6
490.32550	1.8
491.33002	1.5
492.33121	2.3
517.31989	0.2
618.91870	0.2
714.38031	0.3
719.84784	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53897	0.1
59.01397	0.8
61.98833	100.0
62.98553	0.3
63.95853	0.2
69.18240	1.2
71.01381	0.2
72.37553	0.1
73.02948	0.3
75.24136	0.1
79.38441	0.1
84.38306	0.2
88.67883	0.1
98.21716	0.3
100.83511	0.2
111.00915	0.3
111.90006	0.2
125.02482	0.2
233.02888	0.2
339.55673	0.2
412.87418	0.2
454.51544	0.2
489.32449	0.7
490.32593	2.4
491.32877	2.3
492.33136	2.8
492.39630	0.2
495.20609	0.2
506.35880	0.3
534.34650	0.3
654.39276	0.3
695.94849	0.2
714.37396	0.4
727.07214	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
69.10277	0.8
69.10688	1.8
69.78255	0.3
77.62225	0.3
94.45364	0.4
96.96037	0.8
98.22512	0.8
133.02954	2.9
134.03767	0.5
135.04568	0.8
153.66035	0.3
161.02440	10.7
162.02837	0.4
257.63385	0.4
302.79114	0.4
367.34326	0.4
415.31067	0.4
651.39069	22.0
652.39337	5.8
714.26794	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.4085
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18303	0.2
59.01385	2.5
61.98835	100.0
62.98548	0.2
71.01388	1.1
71.02015	0.2
71.27795	0.2
71.28207	0.2
73.02950	0.3
88.98875	0.2
89.02470	0.5
101.02501	0.8
108.73598	0.2
108.79469	0.2
113.02452	0.3
119.03550	0.4
125.02428	0.5
134.03773	0.2
135.04501	0.3
137.02492	0.4
138.03308	0.3
139.04025	0.3
161.04630	0.4
169.01457	0.4
182.05840	0.2
209.11850	1.4
213.07718	0.4
255.86264	0.3
357.26675	0.7
371.24686	0.3
373.26038	0.3
486.94141	0.2
490.36401	1.4
491.36392	1.1
492.36862	2.0
654.42621	1.1
714.29840	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04285	0.6
59.01350	2.4
61.98808	1.2
63.35497	0.6
69.26729	0.9
69.27132	3.3
77.94023	0.5
80.34878	0.7
83.01369	0.6
91.75462	0.5
162.44879	0.6
181.08743	1.1
193.08891	0.6
197.11751	1.3
201.32161	0.6
223.09761	1.7
241.10768	1.7
242.99399	1.2
247.09682	0.8
258.01627	1.0
260.01559	0.6
269.98013	1.6
270.98840	42.4
271.99249	3.1
283.99658	1.9
285.00400	5.2
286.01138	2.7
287.01709	0.7
297.97559	5.4
298.98340	71.0
299.98987	15.1
300.99878	1.2
312.99927	13.5
314.00687	95.5
315.01199	15.1
328.02167	1.4
329.03033	100.0
330.03397	9.7
385.15280	2.8
494.88486	0.7
683.16693	0.9
715.18848	45.3
716.19202	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	715.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93186	1.6
55.14838	1.7
59.01381	33.2
69.02095	3.1
69.02497	11.8
69.03423	1.6
71.01403	3.8
80.50066	1.6
85.06594	8.9
86.00775	1.5
91.66222	1.7
96.96046	3.3
98.22550	3.3
107.01405	5.0
111.00900	2.3
113.06100	13.6
123.00912	7.5
125.02460	25.9
126.68404	1.9
131.07150	74.4
132.07506	3.3
136.98779	1.9
138.77896	1.6
139.00360	3.2
140.01164	4.7
151.00398	6.3
153.01964	9.4
154.99820	1.9
168.00635	6.0
168.04279	8.9
169.01418	35.6
173.08200	39.7
174.08551	2.3
177.02000	2.2
183.02992	7.0
183.06587	2.0
209.57103	1.6
228.67549	1.7
228.95313	1.9
299.99564	1.8
313.05713	6.6
497.13065	100.0
498.13382	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	715.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65887	1.1
51.71239	1.0
57.03450	2.2
59.01383	8.1
60.72421	1.0
60.72778	1.1
61.98827	1.2
68.99575	2.4
71.01390	11.0
72.99317	5.1
75.00881	13.6
80.02669	1.2
81.03421	1.3
82.95431	2.4
83.05031	3.7
84.02193	1.2
85.02959	14.2
87.00896	5.0
89.02462	3.3
94.21153	1.2
94.44095	1.2
95.01422	4.1
98.22546	2.5
99.00898	8.1
103.00361	2.3
111.04556	1.8
112.98578	3.9
113.02453	19.7
117.01955	2.5
126.33670	1.1
163.11337	3.8
175.02524	4.4
181.08725	4.1
182.09109	1.8
195.06639	3.1
196.07158	1.3
209.08429	3.0
209.11841	47.6
210.12276	3.2
224.06934	1.4
227.12921	5.7
249.06194	3.4
255.23308	32.0
256.23700	2.2
454.16565	1.4
478.25467	2.0
479.25714	2.6
697.41321	1.7
703.62854	1.2
715.42871	100.0
716.30499	1.6
716.43170	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	716.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18870	0.2
61.98835	100.0
77.17979	0.2
78.95912	0.3
82.95425	3.0
84.95118	1.0
96.96036	0.5
96.96990	0.5
99.92612	0.4
113.95952	0.2
115.92139	0.2
133.02982	0.2
159.08328	0.2
161.02434	0.4
161.63278	0.2
185.21817	0.2
191.09236	0.2
238.20801	0.2
250.27417	0.2
361.66107	0.2
386.60440	0.2
505.44901	0.2
631.36383	0.6
716.33984	0.3
717.31647	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.387
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00764	0.5
58.40214	0.5
59.01369	1.7
61.98842	10.4
71.01389	3.8
71.28506	0.9
83.05043	0.8
85.02962	0.9
85.46510	0.5
89.02450	1.1
97.02992	0.6
101.02470	1.3
108.02155	0.7
113.02473	0.7
118.43253	0.5
123.04498	0.6
125.02457	0.9
125.09721	0.7
161.02527	0.8
161.04593	1.2
171.10254	0.6
183.13898	4.4
193.12337	1.2
193.14107	0.6
207.10201	1.5
209.08109	0.5
209.11765	1.0
211.13406	100.0
212.13765	6.4
225.11378	1.0
229.22659	0.5
235.08234	1.7
253.09300	3.3
271.77185	0.6
331.24911	1.1
387.25653	0.6
429.21213	1.5
447.22354	10.3
448.22836	1.5
623.34503	2.1
624.34796	0.9
641.35187	0.7
645.49591	1.1
716.28632	0.9
717.47015	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55902	0.5
56.17800	0.4
59.01403	1.6
61.98845	1.3
63.22897	0.4
69.06406	0.8
69.06805	3.0
71.01411	0.8
73.02944	0.7
80.20432	0.4
80.34949	0.5
81.03477	0.7
83.01418	1.8
85.03015	0.5
97.43279	0.4
98.22639	0.7
101.02467	1.1
101.41521	0.4
109.03004	0.4
116.92924	0.5
123.04565	1.6
125.02470	0.5
139.11328	1.2
139.87811	0.4
139.88927	0.5
152.10123	0.4
161.02380	0.6
181.12242	0.5
183.10265	3.6
225.11288	4.4
226.11606	0.5
241.04994	0.7
242.99306	1.0
243.12389	5.3
249.11356	0.7
254.05753	0.8
267.12366	1.3
269.73428	0.5
269.98172	0.7
270.98840	29.2
271.96582	0.5
271.99240	2.5
272.01761	0.4
283.99527	1.0
285.00418	1.5
285.13434	1.1
291.12335	1.2
297.97571	1.4
298.98328	50.1
299.98856	6.1
303.71078	0.5
312.99918	3.4
314.00696	69.2
315.01141	6.6
327.14499	1.7
329.03030	100.0
330.03391	10.3
387.16678	6.0
388.16681	0.9
455.20590	1.6
483.16455	0.4
555.29364	3.3
581.54742	0.5
717.20087	5.4
718.20636	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47036	1.0
56.85733	1.0
56.91829	1.2
59.01377	3.0
61.98828	1.6
62.31398	1.1
70.56427	2.0
71.01379	4.5
85.02938	2.1
93.03468	4.8
101.02427	1.8
108.02197	1.4
109.02964	3.1
109.46642	1.2
110.00109	2.4
117.03496	1.5
119.04979	1.2
120.99640	1.2
121.02975	20.2
122.03786	15.7
123.00950	1.7
123.04506	1.1
125.02466	9.0
132.02193	17.9
133.02998	5.7
134.03751	28.9
135.04492	3.5
136.01637	2.0
137.02448	2.6
137.99582	3.7
139.03986	1.6
147.04494	1.7
149.02457	33.0
149.06070	6.8
150.03246	100.0
151.00383	1.4
151.03621	4.7
153.01952	50.6
154.02318	2.1
160.01675	86.9
161.02122	4.0
164.04808	4.8
165.05582	85.2
166.05910	3.8
167.03499	1.6
168.04294	31.4
169.01425	3.5
175.04016	96.1
176.04341	7.6
177.01901	2.2
177.05396	1.4
178.02655	2.4
179.03542	1.5
179.07195	2.4
180.04315	9.3
183.06599	9.4
184.06894	1.3
191.07224	3.3
193.05087	25.8
194.05469	1.5
195.06653	48.2
196.07095	3.3
217.04988	1.3
233.06056	1.4
234.06970	2.2
235.06064	15.4
236.06451	1.4
239.07062	2.9
250.06395	4.7
253.08626	1.7
265.08807	2.8
267.06491	2.2
282.09033	9.2
297.11343	2.1
337.09311	48.0
338.09656	4.9
341.10327	47.2
342.10495	6.7
353.06747	1.1
383.11407	2.2
389.12329	4.2
431.13379	2.6
441.45380	1.2
485.14670	8.6
507.14929	1.3
521.16693	96.7
522.17029	16.9
533.16620	4.2
717.24091	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	717.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.9
61.98838	12.2
67.01891	1.9
69.03450	1.4
71.01376	5.7
71.35795	1.7
73.02941	1.3
83.01397	2.8
85.02981	2.4
95.01395	2.4
97.02953	2.9
107.01396	16.0
109.02966	2.6
111.00884	2.4
113.02477	2.1
121.02943	1.6
123.00914	11.9
123.04555	3.0
124.01685	2.8
125.02457	77.2
126.02791	2.9
127.00336	2.5
133.03003	1.3
136.98822	3.1
137.02429	1.6
138.03278	1.3
139.00377	6.8
139.04050	2.3
140.01167	6.1
150.03241	1.9
151.00378	9.7
152.01143	3.9
153.01903	1.3
165.01939	1.4
165.05586	2.5
166.02731	10.8
166.78210	1.1
166.99942	1.9
167.03470	5.9
168.00644	9.3
169.01437	78.1
170.01778	4.1
181.05045	8.7
183.02950	7.6
191.07129	1.7
197.31914	1.5
211.02541	1.6
243.06622	3.0
297.06274	1.9
298.98373	3.1
313.05676	23.1
314.00830	2.9
314.06039	1.6
327.07199	5.9
329.03088	4.2
365.17578	3.0
389.16177	3.2
410.63004	1.3
555.29779	4.5
687.27338	1.5
717.24005	100.0
718.24243	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	717.3101
Annotation	Cratoxyarborequinone A
Peak:m/z	Relative Intensity
53.16954	0.9
64.80269	0.9
65.60474	0.8
66.81012	0.9
71.95559	1.0
75.17586	0.8
90.60117	1.0
93.58421	0.9
96.96028	2.0
98.22541	2.0
99.92594	48.5
100.90498	1.1
100.92606	2.9
100.93373	2.5
115.92088	60.8
116.92105	3.5
116.92880	1.7
128.53293	0.9
133.02946	6.1
161.02417	1.6
164.54774	0.9
179.93193	0.9
215.95273	1.1
217.96788	1.2
262.96466	1.9
308.44934	1.0
496.12402	1.1
498.71646	1.2
537.26996	2.6
655.31592	1.0
673.32135	2.7
717.31012	100.0
718.31201	35.6
730.38007	1.2
744.73755	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68611	0.7
52.73550	0.7
55.43842	0.7
55.93843	0.7
56.69402	0.7
59.01387	9.9
60.65364	0.7
61.98841	17.0
61.99149	0.6
69.01337	1.0
69.01737	5.6
71.01389	6.7
73.02950	2.0
75.74997	0.8
85.02975	3.1
87.00885	2.3
89.02453	1.4
93.45281	0.8
96.96021	7.3
99.00918	1.6
101.02445	3.5
108.02190	1.1
109.02967	2.5
109.06580	1.0
112.45510	0.7
113.02441	2.4
116.87870	0.8
118.83881	0.7
121.02959	9.6
121.27607	0.8
123.04526	1.9
125.02467	1.9
134.03741	4.4
135.04535	4.3
139.11298	9.5
143.03432	0.8
147.04565	1.1
148.05296	2.0
149.06056	1.3
151.04062	1.0
161.06117	1.0
163.07626	1.4
164.04865	0.7
169.01451	1.0
175.07808	0.8
178.02751	1.1
181.12350	2.6
183.10271	3.9
192.07928	0.9
193.05133	1.4
193.08742	1.2
205.08704	0.9
207.10515	0.9
209.11809	2.7
225.11351	1.7
243.12544	0.9
252.07939	1.1
255.06523	0.9
257.26764	0.8
258.72025	0.7
265.08569	1.4
269.08224	3.0
270.08981	2.3
271.84424	0.9
279.10568	1.0
283.09747	4.5
284.10562	1.5
296.10587	2.5
297.11203	2.5
311.12964	1.5
313.10831	2.3
314.11685	5.8
315.12204	3.9
325.10834	0.8
329.13989	18.0
330.14349	1.2
337.12762	1.0
343.11871	1.2
356.12820	1.2
357.13577	1.2
371.15015	2.5
413.16049	1.9
458.15842	2.2
459.16650	2.2
473.18204	25.4
474.18646	3.3
476.16669	1.4
477.17728	1.5
491.19272	32.2
492.19513	5.6
533.20251	0.9
655.31110	1.0
657.29333	12.4
658.29187	2.5
699.30267	10.3
700.30762	2.4
717.31311	100.0
718.31573	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	717.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.7
59.01385	2.8
61.98834	100.0
64.27572	1.4
67.30244	1.3
69.03095	3.1
69.03491	11.4
71.01378	1.6
81.03451	2.8
83.05016	1.8
83.36834	1.3
88.98813	1.8
94.29130	1.5
96.96023	1.5
99.92588	1.6
101.02448	2.6
108.02175	2.8
109.02941	2.9
113.02467	2.6
116.92870	11.9
117.92850	1.3
121.03010	1.9
123.00902	2.2
123.04545	5.4
125.02441	5.2
135.04507	2.7
136.01695	3.4
137.02473	3.1
144.03989	1.4
148.05351	1.8
149.02481	3.3
149.06168	1.8
151.04012	3.7
163.03957	2.2
163.11412	2.3
164.04810	3.3
167.03465	1.8
169.01431	3.9
179.03491	2.1
179.07166	3.4
193.05127	2.8
193.08659	2.0
207.10135	1.8
209.08195	4.5
209.11832	30.0
210.12222	2.5
211.13412	27.4
212.13840	1.9
220.38123	1.5
225.11256	1.4
227.12939	4.7
253.09201	3.5
271.15442	1.8
313.05643	2.0
327.12424	4.0
447.22263	1.9
523.14630	4.7
717.25275	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	718.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	1.6
58.00596	2.4
59.01385	28.5
60.45748	1.0
61.98836	9.2
68.90963	0.9
69.03449	2.0
70.72836	1.1
71.01387	30.4
71.28449	1.3
72.72318	1.0
72.99303	3.2
73.02949	4.5
76.15505	1.1
83.01400	2.2
85.02959	5.8
87.00874	6.7
89.02451	27.4
92.76063	1.0
95.01387	2.2
95.05045	1.0
97.02964	4.7
99.00883	2.6
101.02443	22.7
102.02757	1.3
103.72582	1.0
111.04527	1.9
113.02456	12.3
116.29967	1.1
119.03509	9.7
119.44971	1.0
125.02467	12.2
131.03523	1.5
139.04071	1.3
143.03531	4.0
157.65996	1.1
161.04636	5.0
179.05678	6.2
179.06964	1.2
181.08446	1.0
221.06673	1.9
235.08220	10.7
253.09290	2.4
271.19901	1.1
277.21741	75.6
278.22095	9.3
287.07831	3.2
305.08801	3.0
323.09998	1.7
379.12558	1.9
390.68948	1.1
397.13522	100.0
398.13892	11.3
415.14539	39.1
416.14893	4.0
457.33105	1.4
613.28766	1.2
638.15839	1.2
651.62097	1.1
675.36243	1.4
718.47266	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.366
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05690	1.2
55.01888	1.4
57.03458	1.3
58.00586	1.5
59.01090	2.2
59.01382	36.9
61.98832	8.6
69.03455	3.0
71.01391	29.9
71.03971	1.2
72.99310	2.3
73.02953	5.0
83.01399	5.3
85.02955	6.0
87.00896	9.7
88.00321	1.2
89.02447	30.6
91.45921	1.3
95.01411	3.2
96.96031	1.6
97.02969	5.1
99.00918	2.3
101.02445	26.5
113.02464	14.3
119.03509	9.9
125.02454	11.5
131.03543	1.6
143.03487	5.6
151.40402	1.1
156.47978	1.2
161.02519	1.6
161.04561	5.6
179.05623	5.4
179.69708	1.0
221.06717	2.7
229.21289	1.4
235.08212	11.5
253.09285	3.2
263.07748	2.1
277.21735	84.2
278.22055	9.4
305.08728	5.7
376.68576	1.1
379.12631	1.3
397.13525	100.0
398.13873	10.8
415.14551	30.6
416.15033	3.6
440.11816	1.3
486.36188	1.4
675.36316	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52762	2.6
57.03447	4.7
57.49435	2.4
59.01374	2.3
61.98841	13.4
65.35719	2.5
69.03475	2.6
71.29724	3.2
71.88636	2.2
81.03466	4.5
83.01418	12.0
93.03455	9.1
95.01389	6.5
96.96018	5.3
97.02954	7.7
104.67476	2.0
107.05038	2.5
109.02970	30.2
111.04562	3.4
120.99662	6.0
121.02956	6.0
122.03769	2.7
123.00867	17.2
123.04546	13.5
124.01640	11.5
125.02462	96.0
126.02816	3.1
131.79512	2.1
133.02960	3.0
135.04538	3.6
137.02451	75.2
138.03262	16.3
139.00400	11.5
139.03052	3.4
139.04039	33.3
140.88945	2.7
147.04536	4.9
149.02446	45.7
150.03255	15.7
151.00433	3.2
151.04030	11.7
153.01938	7.5
153.05556	3.8
159.04512	4.4
161.02483	7.3
163.04031	9.1
164.01186	4.4
165.01927	16.1
165.05545	11.0
166.02707	5.1
167.03506	44.7
169.01450	8.7
173.06021	2.8
175.03983	9.2
176.01207	12.2
177.01944	42.4
177.05495	5.0
178.02618	4.1
179.03479	17.3
180.04121	3.5
181.05087	3.1
189.01906	4.4
189.05688	2.8
190.02637	6.1
191.03564	24.5
193.05078	3.5
195.06670	6.9
196.20731	2.5
201.05528	5.2
203.03502	6.9
204.04305	5.7
205.05003	3.8
213.05632	3.3
217.01430	4.9
219.02916	3.2
219.06668	12.6
221.04543	10.0
229.05051	10.2
230.05550	3.0
231.06635	91.1
232.06993	8.4
233.04491	3.3
237.07864	2.9
243.06569	5.7
253.04677	2.7
263.05588	6.4
271.06174	2.7
273.07736	46.1
274.08060	4.6
299.05463	4.6
303.29630	2.7
305.06699	36.8
306.06750	3.0
312.99973	2.8
317.06671	100.0
318.06903	5.3
329.03409	2.6
371.08035	4.3
401.12415	5.3
425.09122	3.8
431.55203	2.9
450.16245	2.6
477.15698	3.3
521.14349	3.0
522.16858	3.2
523.18359	3.6
539.15570	23.1
565.13611	11.1
566.14148	4.0
658.97284	2.7
701.18854	9.4
719.19586	45.6
719.30707	38.0
720.19983	10.9
720.30786	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	719.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98884	1.5
53.30439	1.3
57.03445	4.2
59.01390	2.6
61.98833	3.4
65.55305	1.5
69.03452	3.1
71.01389	1.7
71.05052	1.8
71.29802	2.2
81.03455	5.9
83.01396	9.6
92.05608	1.5
93.03452	4.8
95.01392	5.0
95.05061	2.0
97.02959	6.6
105.03436	3.4
107.05054	2.1
109.02955	34.5
111.00906	3.0
111.04536	4.5
120.99670	4.3
121.02950	9.3
123.00903	15.1
123.04536	8.5
124.01703	9.3
125.02461	100.0
126.02795	2.7
127.00324	1.7
133.02968	2.8
135.04541	7.0
137.02458	85.7
138.03282	11.6
139.00403	5.8
139.04019	41.2
140.02505	1.6
145.02890	1.5
147.04539	4.4
148.01704	1.4
149.02458	44.6
149.06003	1.7
150.03140	5.2
151.04024	12.1
153.01944	7.3
153.05585	5.6
155.03499	2.4
159.04486	3.2
161.02454	5.1
163.00368	2.5
163.04031	8.7
164.01198	4.3
164.04781	1.9
165.01950	22.8
165.05582	4.4
166.02646	4.2
167.02138	2.6
167.03523	35.5
167.04941	3.0
167.07140	1.8
169.01402	4.5
170.02113	1.4
170.26521	1.5
173.06076	3.1
175.04028	7.5
175.07666	2.2
176.01163	9.2
177.01947	45.2
177.05521	4.8
178.02580	5.6
179.03517	14.3
180.04214	1.4
185.06116	1.7
189.01901	2.7
189.05550	2.4
190.02724	5.1
191.03505	24.3
191.07138	1.7
192.04187	1.9
193.04996	3.6
195.06644	2.3
201.01707	1.5
201.05595	4.1
203.03487	7.5
204.04315	2.1
205.04976	3.9
212.05029	1.7
213.05551	3.6
215.03587	2.0
217.01520	4.0
217.05028	4.7
219.03101	2.6
219.06662	11.3
221.04590	11.1
222.04793	1.7
229.05057	12.6
231.06641	88.1
232.06944	7.6
233.04694	1.9
237.05418	1.5
237.07616	2.0
243.02858	1.5
243.06647	2.7
245.04500	3.7
247.06100	2.3
249.07680	2.3
255.06532	3.3
261.07684	3.1
263.05646	7.0
271.06174	3.3
273.07709	48.4
274.08005	3.4
299.05679	5.4
305.06699	50.4
306.07016	4.2
317.06689	97.1
318.06909	7.0
319.08072	1.9
329.14029	4.7
359.11594	2.2
371.07706	1.9
401.12357	5.3
411.14581	3.0
413.12296	2.8
425.08453	1.6
467.11700	2.7
495.15878	1.9
521.14575	4.2
539.15521	25.6
540.15985	4.9
563.10205	1.7
565.13641	12.6
701.18811	11.0
702.18085	3.2
719.19086	44.4
719.29437	9.2
720.19476	11.3
720.30939	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	719.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
59.49866	15.5
70.61812	24.4
82.37246	14.4
87.00861	21.6
88.17464	16.6
94.04105	14.6
137.03561	16.4
328.33191	16.5
341.10843	39.8
377.08643	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	719.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.9
59.01380	3.6
61.98801	1.4
67.01888	1.5
69.03437	1.3
71.01395	5.7
71.78999	0.9
72.99306	0.9
73.02951	1.1
79.01900	1.5
81.03477	2.0
83.01396	1.7
85.02966	2.6
89.02455	1.5
90.12062	1.0
93.03506	1.1
93.94771	0.8
95.01405	3.0
96.35953	1.0
97.03017	1.5
98.21734	2.0
99.04543	1.3
101.02477	4.5
107.01403	12.6
108.02195	1.8
109.02946	1.4
111.00898	2.8
113.02425	2.1
118.91597	1.1
121.03051	1.0
123.00896	14.9
123.04543	3.6
124.01709	2.2
125.02461	58.1
126.02798	2.0
128.97635	0.9
135.04530	2.8
136.98827	2.2
137.02438	5.1
138.03239	1.5
139.00383	6.5
140.01138	4.4
141.54671	0.9
148.05359	1.9
149.02473	4.4
150.03246	1.5
151.00395	9.5
151.04022	2.2
152.01172	3.0
152.04788	1.1
153.01938	2.3
153.05623	1.2
163.07594	1.1
164.04810	13.4
165.01944	1.7
165.05554	2.2
166.02647	1.2
166.99904	2.3
167.03545	10.1
168.00641	8.7
169.01442	66.3
170.01817	2.9
175.04008	1.4
179.07172	9.6
181.01477	1.0
181.05084	3.6
183.03035	1.1
193.01428	3.3
195.06647	3.1
196.07483	1.3
211.02502	14.8
211.06148	1.0
212.06947	3.5
227.09283	4.4
237.04073	1.3
241.03661	1.3
253.03557	1.1
261.33551	1.0
271.04559	10.0
272.05023	1.3
296.05344	1.4
311.07742	26.6
312.08255	2.4
313.05664	5.5
331.06683	2.1
423.05960	5.0
467.15390	1.5
483.07465	2.4
485.16696	5.0
497.27820	2.6
507.13812	1.0
567.20746	12.3
568.21216	2.5
568.30939	0.9
712.35059	1.1
719.22009	100.0
720.22357	26.5
738.11493	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95603	0.5
57.02489	0.5
59.01383	2.6
61.98844	2.8
65.00314	0.9
66.95920	1.1
67.01889	1.3
69.00957	0.9
69.03445	1.7
71.01375	3.1
72.99304	0.5
73.02956	1.1
76.66880	0.6
78.95882	0.8
79.01881	0.5
80.91694	0.6
80.96531	0.7
81.03464	1.0
82.95423	29.0
83.01383	1.1
83.02512	0.9
85.02940	1.5
89.02443	0.7
95.01406	2.7
96.96013	8.5
96.96980	1.2
97.02972	2.3
101.02459	2.3
107.01408	15.7
109.02972	1.4
111.00881	3.6
113.02458	1.3
123.00894	11.7
123.04557	0.8
124.01699	3.8
125.02459	64.6
126.02802	2.3
127.00385	1.2
128.35286	0.5
136.98834	2.2
137.02460	1.5
138.03290	1.3
139.00360	5.8
139.04033	0.8
139.11334	0.6
140.01167	5.8
141.01927	1.0
143.03540	0.7
151.00366	5.5
151.04019	1.2
153.01996	0.8
154.99905	0.6
157.13728	0.5
165.01953	1.0
165.05618	0.7
166.06355	0.9
166.99854	1.5
167.03452	1.1
168.00658	10.9
169.01442	82.4
170.01796	4.9
179.03461	1.1
179.07106	1.1
181.01482	1.6
181.08707	2.4
183.02919	0.9
183.10187	0.6
189.65977	0.5
193.01408	3.9
193.05016	0.9
194.02139	0.7
207.02995	0.9
209.11726	0.7
211.02495	19.4
212.02855	0.9
223.02551	0.7
223.06192	3.8
228.88728	0.6
237.03986	1.0
241.03575	1.5
253.03545	1.5
265.07242	3.9
266.07608	0.5
271.04581	11.7
272.04913	1.0
289.21439	0.5
313.05566	4.9
331.06744	0.9
423.05716	3.5
459.31097	0.7
473.32648	1.1
483.07901	3.6
567.20837	6.9
568.20917	1.2
643.90479	0.7
719.21967	100.0
720.22253	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	719.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40789	0.4
59.01386	2.3
61.54057	0.6
61.98824	0.5
62.36158	0.5
67.01890	0.8
67.22907	0.4
68.99830	0.4
69.03450	0.9
69.09116	0.4
69.09920	3.9
70.96086	0.4
71.01377	2.2
72.99299	0.8
73.02979	0.6
76.06748	0.4
79.01884	1.1
81.03465	0.6
83.01402	0.8
85.02944	1.1
87.00917	0.5
89.02447	0.9
95.01391	2.0
97.02943	1.5
98.22515	1.2
99.00865	0.6
99.04536	1.3
101.02457	1.5
107.01401	8.5
111.00894	2.0
111.04530	0.6
113.02455	1.3
121.02899	0.5
123.00897	11.8
123.04557	0.7
124.01649	2.1
125.02457	53.0
126.02772	1.6
127.00394	1.1
136.98820	1.4
137.02438	1.1
139.00415	4.6
140.01183	3.5
141.01923	1.3
149.02490	0.7
151.00386	6.8
153.01945	1.5
163.04057	0.7
166.99866	1.5
167.03520	0.7
168.00668	8.5
169.01437	70.1
170.01810	2.1
179.03589	0.7
181.01436	1.5
181.04985	0.6
183.02904	0.7
187.24310	0.5
193.01411	2.9
207.03059	0.7
211.02484	16.4
212.02892	0.7
235.02429	0.6
237.04086	0.8
241.03592	1.1
253.03580	1.1
271.04599	10.8
272.05060	0.7
295.04602	1.3
313.05627	5.3
331.06735	4.5
344.66071	0.6
423.05719	7.8
424.06323	0.6
467.15601	0.9
483.07803	7.2
484.08444	0.8
485.16632	5.6
486.16739	0.8
502.52142	0.5
512.15326	0.6
567.20929	8.7
568.21124	1.8
636.16455	0.6
719.21960	100.0
720.22290	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	719.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.0
61.98812	1.5
67.01875	1.1
69.03468	1.7
69.25009	4.8
71.01385	2.8
72.99330	0.9
73.02958	1.0
79.01943	0.8
81.03455	0.8
83.01374	1.6
83.45726	0.6
85.02964	2.0
89.02435	1.1
95.01406	2.2
97.02984	2.2
99.04523	1.4
101.02475	4.1
107.01393	9.9
107.02090	1.0
109.02979	1.7
111.00892	3.6
113.02474	1.9
115.83004	0.7
121.02980	1.3
123.00896	11.5
123.04559	2.1
124.01651	1.7
125.02455	56.8
125.06149	0.7
126.02808	1.9
127.00397	1.3
135.04584	0.9
136.98827	2.0
137.02470	3.7
139.00385	5.0
139.03946	0.9
140.01193	4.7
140.14684	0.6
141.01971	0.9
145.02966	0.8
149.02463	1.6
150.03281	3.4
151.00398	10.0
151.04022	1.6
152.01208	1.6
153.01959	2.4
160.61963	0.8
164.04843	5.3
165.01958	1.1
165.05573	3.1
166.99898	1.4
167.03493	7.4
168.00665	9.0
169.01436	75.0
170.01765	3.3
179.03490	1.1
179.05800	1.1
179.07117	4.9
181.01442	1.1
181.05077	3.0
182.05789	1.0
193.01395	3.2
195.03056	0.9
195.06651	1.9
196.07439	2.0
197.08212	1.1
211.02489	15.4
211.09782	1.6
212.02948	0.8
212.06758	1.0
227.09250	1.2
235.02498	0.8
235.06046	0.8
241.03629	1.4
253.03503	1.1
271.04611	11.3
296.05255	1.1
311.07736	14.9
312.07983	1.1
313.05756	4.7
331.06717	2.1
348.10559	0.6
423.05493	4.0
483.07733	3.6
485.16592	5.6
486.17111	0.8
497.27631	1.0
507.15045	1.5
567.20789	8.2
568.21021	1.1
636.68109	0.8
719.21973	100.0
720.22461	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19687	0.5
55.38506	0.5
59.01372	1.7
67.01886	0.6
69.03457	0.9
71.01374	2.0
71.05049	0.5
73.02940	1.1
76.66871	0.7
79.01897	0.6
81.03455	0.7
83.01366	0.5
85.02947	1.2
89.02448	0.7
95.01386	2.1
97.02990	1.3
98.22575	1.0
99.04536	2.4
101.02448	2.4
107.01400	8.0
110.00122	0.6
111.00883	2.5
113.02454	1.2
118.04615	0.5
119.05093	0.5
123.00904	11.1
124.01666	2.3
125.02454	46.6
126.02807	1.2
136.98819	1.8
137.02481	0.9
139.00401	4.5
140.01195	3.2
141.01953	1.0
145.03001	0.6
149.02438	1.0
151.00385	7.0
151.03995	0.7
157.05905	0.5
163.04044	0.9
165.01912	1.0
166.99942	1.1
167.03520	1.1
168.00616	5.9
169.01433	66.5
170.01802	2.6
179.03577	0.8
181.01439	1.3
183.03036	0.8
191.03342	0.6
193.01463	1.8
207.02948	0.6
211.02484	13.4
211.05675	0.7
214.73201	0.5
215.12527	0.6
237.03932	1.0
240.07600	0.5
241.03580	1.3
253.03615	1.7
271.04602	10.6
272.04962	0.9
274.97205	0.5
292.33179	0.5
295.04602	1.3
298.20047	0.5
313.05719	4.6
318.11823	0.6
331.06723	4.0
345.58679	0.5
391.17740	0.7
423.05710	7.6
444.16177	0.6
467.15891	1.0
473.32883	1.2
483.07770	6.3
484.08258	0.9
485.16809	4.9
567.20862	9.2
568.21198	1.7
591.58160	0.6
637.17847	0.9
719.21930	100.0
720.22290	26.8
734.39160	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.8
59.01379	10.9
60.05781	1.3
61.98834	88.0
62.01653	1.1
69.03433	2.4
71.01392	9.1
71.05024	2.1
72.99288	2.2
73.02917	2.0
76.94888	1.2
80.96532	6.3
81.03444	3.2
82.95422	17.4
83.01386	1.9
83.05030	2.4
85.02937	4.6
87.00848	2.4
87.04483	4.0
88.98761	2.7
89.02424	4.1
93.03416	1.8
95.01386	3.6
95.05041	1.7
96.95995	2.2
97.02955	2.3
99.00874	1.6
101.02444	6.8
107.01402	10.5
108.02161	1.9
109.02910	2.0
110.40836	1.3
111.00855	4.6
111.04536	1.7
113.02430	4.3
116.92853	1.9
121.02964	2.9
123.00897	15.1
123.04510	1.2
124.01636	3.6
125.02460	65.8
126.02756	3.3
135.04492	3.5
136.98819	2.1
137.02408	3.0
139.00343	5.6
139.03995	3.2
139.11298	1.9
140.01123	5.4
149.02419	3.4
151.00368	10.0
151.03944	2.1
153.01868	2.5
161.02502	1.6
163.04033	1.6
164.04716	5.8
164.98500	1.2
165.05499	3.2
166.99809	2.7
167.03546	1.4
167.07182	1.3
168.00648	10.2
169.01440	91.0
169.12311	6.3
170.01730	4.7
175.03986	2.4
179.03467	2.7
179.07100	4.2
183.10172	2.3
193.01337	1.7
193.05035	1.7
197.11816	11.5
209.11830	20.5
211.02388	7.7
225.00746	1.5
227.12796	2.9
237.04053	1.6
241.03467	1.4
243.12350	4.2
271.00470	1.2
271.04611	6.4
295.04483	2.5
313.05591	4.3
331.07770	1.6
345.15421	1.6
354.75275	1.5
357.26550	2.7
373.25595	3.9
391.27032	2.0
405.17499	3.0
439.32050	1.4
471.30981	3.1
473.32629	1.7
497.28421	1.4
567.20593	10.1
687.32416	12.6
688.32251	1.9
719.21539	100.0
719.32495	6.3
720.22046	26.0
720.33746	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	19.6
61.98817	3.2
65.00318	2.5
66.42910	1.6
67.01865	4.0
69.03449	2.3
71.01390	8.9
71.29115	3.2
73.02930	2.4
81.03453	2.9
83.01385	2.7
85.02938	4.5
87.00891	2.1
93.03445	4.6
93.52922	1.7
95.01385	6.5
96.99306	2.0
97.02923	2.8
101.02438	7.0
107.01395	12.6
108.02211	8.3
109.02943	2.9
111.00890	3.1
113.02467	5.5
121.02943	5.4
122.03732	4.6
123.00894	14.3
123.04543	16.1
124.01680	2.9
125.02456	55.8
126.02737	1.9
136.98978	1.9
137.02463	15.2
139.00345	6.0
139.03993	1.9
141.01930	1.9
146.03726	4.6
149.02437	16.5
150.03244	24.2
151.00400	12.8
151.03943	7.6
151.59383	1.8
152.01173	12.6
153.01862	5.6
153.05582	5.3
161.02359	2.9
161.06007	2.6
162.03197	2.2
163.04027	2.6
164.04820	10.2
165.01904	4.9
165.05582	27.9
165.09196	3.2
166.02768	2.6
167.02162	3.1
167.03516	43.0
168.00632	8.6
168.03862	2.0
169.01439	64.8
170.01756	3.2
177.05527	2.9
179.03430	3.7
179.07156	9.6
180.04286	3.7
181.05084	57.5
182.05840	15.5
193.01328	2.5
195.06624	21.2
196.07405	42.0
197.08170	21.3
209.08188	17.2
211.02504	14.9
211.09753	15.8
235.13350	3.5
271.04556	10.4
281.06659	3.8
289.07330	3.1
295.04559	1.9
296.05331	5.0
311.07751	100.0
312.08078	9.0
313.05637	6.5
331.07056	2.4
344.12662	5.9
359.14981	17.4
359.21912	2.0
360.15488	2.6
371.14825	2.7
377.79120	1.8
389.86407	1.7
393.15591	1.9
407.17065	2.0
427.19714	1.8
434.04962	1.8
507.15143	41.4
508.15387	7.0
523.45093	1.6
549.19788	2.9
567.21033	9.8
568.21307	2.3
719.22021	95.3
720.22314	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	719.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.9
61.98827	1.9
65.00319	0.7
67.01887	1.9
69.03460	0.9
69.46273	2.1
70.56734	0.4
70.73590	0.4
71.01391	3.4
71.13077	0.4
72.99312	0.9
75.57344	0.4
79.01893	1.6
83.01388	1.5
85.02969	1.3
87.00884	1.0
89.02445	0.6
95.01396	3.8
97.02975	0.8
99.00865	0.6
101.02445	1.3
107.01409	4.9
108.01668	0.4
109.02977	0.5
110.00082	1.1
111.00895	6.2
113.02557	0.6
117.87500	0.4
123.00893	22.5
124.01678	2.0
125.02460	21.6
125.29145	0.4
126.02817	1.3
127.00420	2.5
128.96761	0.4
135.04564	0.6
136.98827	4.3
137.02455	1.4
139.00392	10.0
139.04033	1.2
140.01166	7.6
141.01978	2.4
150.03229	0.5
151.00378	4.8
151.04036	0.8
153.01886	1.2
154.99872	0.8
163.04027	0.7
165.05560	0.6
166.99863	5.1
167.03470	0.6
168.00653	14.8
169.01436	28.1
170.01738	1.6
177.03996	2.6
181.01393	0.7
181.05017	1.1
182.02335	0.5
182.05791	0.5
182.71033	0.4
183.03027	3.0
193.17191	0.4
196.07436	1.6
197.04588	0.5
197.08221	0.7
211.02492	11.5
211.09749	1.4
212.02910	0.6
225.04169	1.0
241.03481	1.0
269.15189	0.5
271.04626	7.6
272.04938	0.7
297.06122	1.4
308.53546	0.4
313.05841	1.1
329.05130	1.2
344.10959	0.8
346.98846	0.4
357.11948	0.5
359.13342	2.2
373.15091	0.8
510.13593	0.5
524.15918	2.6
525.16302	4.3
526.16162	0.6
537.16235	0.5
539.17834	1.1
657.22418	1.0
695.35046	0.5
719.25580	100.0
720.25928	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55477	0.8
54.60623	0.7
59.01367	1.5
63.56759	0.8
65.00324	0.9
67.01883	2.7
68.98721	1.3
68.99123	5.5
68.99825	1.0
69.03458	1.3
70.41318	0.7
71.01380	3.5
72.05069	0.8
79.01899	1.3
83.01394	2.2
84.37431	0.7
85.02967	1.4
87.00884	1.4
95.01398	3.2
97.02996	1.6
98.21792	1.3
101.02441	1.8
107.01393	16.5
108.01704	1.1
109.03001	1.0
110.00101	1.1
111.00897	5.7
117.30445	0.8
123.00896	15.5
124.01702	3.6
125.02457	74.8
126.02776	3.8
127.00384	2.8
136.98808	3.5
137.02425	1.9
139.00401	10.2
139.04024	1.8
140.01196	7.3
141.01967	1.4
150.03140	0.8
151.00388	6.9
151.04045	2.1
153.05568	1.4
154.99892	0.8
163.04066	1.6
164.04784	1.3
165.05542	0.8
166.99907	2.0
168.00655	10.3
169.01436	80.4
170.01833	3.2
178.06351	0.8
179.07159	1.5
181.01463	1.2
181.03448	1.1
181.05072	25.0
182.05783	5.5
183.02969	7.6
196.07416	25.3
196.09212	1.6
197.08081	3.5
211.02455	2.4
211.09787	12.4
214.62770	0.7
241.03506	2.3
286.50394	0.8
297.05991	4.3
313.05695	18.8
314.06201	1.4
327.07236	4.1
493.13638	1.3
507.15109	31.5
508.15726	5.3
521.16956	1.1
719.25543	100.0
720.25928	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	719.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	19.6
61.98817	3.2
65.00318	2.5
66.42910	1.6
67.01865	4.0
69.03449	2.3
71.01390	8.9
71.29115	3.2
73.02930	2.4
81.03453	2.9
83.01385	2.7
85.02938	4.5
87.00891	2.1
93.03445	4.6
93.52922	1.7
95.01385	6.5
96.99306	2.0
97.02923	2.8
101.02438	7.0
107.01395	12.6
108.02211	8.3
109.02943	2.9
111.00890	3.1
113.02467	5.5
121.02943	5.4
122.03732	4.6
123.00894	14.3
123.04543	16.1
124.01680	2.9
125.02456	55.8
126.02737	1.9
136.98978	1.9
137.02463	15.2
139.00345	6.0
139.03993	1.9
141.01930	1.9
146.03726	4.6
149.02437	16.5
150.03244	24.2
151.00400	12.8
151.03943	7.6
151.59383	1.8
152.01173	12.6
153.01862	5.6
153.05582	5.3
161.02359	2.9
161.06007	2.6
162.03197	2.2
163.04027	2.6
164.04820	10.2
165.01904	4.9
165.05582	27.9
165.09196	3.2
166.02768	2.6
167.02162	3.1
167.03516	43.0
168.00632	8.6
168.03862	2.0
169.01439	64.8
170.01756	3.2
177.05527	2.9
179.03430	3.7
179.07156	9.6
180.04286	3.7
181.05084	57.5
182.05840	15.5
193.01328	2.5
195.06624	21.2
196.07405	42.0
197.08170	21.3
209.08188	17.2
211.02504	14.9
211.09753	15.8
235.13350	3.5
271.04556	10.4
281.06659	3.8
289.07330	3.1
295.04559	1.9
296.05331	5.0
311.07751	100.0
312.08078	9.0
313.05637	6.5
331.07056	2.4
344.12662	5.9
359.14981	17.4
359.21912	2.0
360.15488	2.6
371.14825	2.7
377.79120	1.8
389.86407	1.7
393.15591	1.9
407.17065	2.0
427.19714	1.8
434.04962	1.8
507.15143	41.4
508.15387	7.0
523.45093	1.6
549.19788	2.9
567.21033	9.8
568.21307	2.3
719.22021	95.3
720.22314	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	719.3513
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.4
58.00579	0.8
59.01388	7.9
61.98838	51.3
69.03466	5.3
71.01386	8.5
71.05022	1.7
73.02932	2.7
80.96507	3.2
81.03453	2.1
82.95418	1.0
83.01365	0.9
83.05035	5.9
84.02172	1.0
85.02959	3.1
87.00893	1.8
87.04490	0.9
88.98828	1.3
89.02444	3.6
95.01396	1.3
96.96001	2.7
97.06599	1.1
98.21793	1.7
101.02461	5.4
107.01373	2.3
108.02127	1.5
109.02962	1.2
109.06572	1.3
113.02433	2.2
114.14429	0.8
121.02972	1.2
123.00899	2.6
123.04543	2.1
123.08185	1.7
125.02468	9.9
125.06045	1.3
125.09715	2.9
135.04556	1.6
135.08133	0.9
137.02461	1.0
151.00407	1.3
151.04007	1.1
151.11249	2.9
153.01904	0.9
153.12843	1.1
160.04137	1.3
161.04596	1.5
161.09729	4.4
163.11305	4.4
164.04813	1.5
165.05605	1.2
165.12794	1.8
168.00604	1.2
169.01456	9.5
179.07109	1.1
179.10788	8.7
180.11124	1.1
181.04947	1.0
181.12352	1.0
185.11777	1.6
191.10760	1.5
197.11845	67.4
198.12260	4.9
205.05124	1.0
209.11848	69.1
210.12221	5.9
211.02478	1.6
223.09689	1.7
227.12920	5.3
235.08203	1.2
241.10892	2.6
253.09274	3.5
271.04565	1.4
477.19720	2.7
478.19949	0.9
645.89069	0.9
687.32361	100.0
688.32642	26.8
719.22241	9.0
719.34570	15.8
720.22845	3.0
720.34827	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	720.1059
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	4.0
59.04436	1.6
61.98832	28.2
69.03603	14.0
71.01398	6.1
74.81821	1.9
80.83034	1.7
81.47290	1.9
81.53809	1.6
83.01379	2.0
101.02451	2.2
107.01383	12.1
109.02972	3.7
123.00876	9.5
125.02465	53.6
125.03978	1.9
126.02821	3.2
128.09967	1.8
135.04523	1.9
137.02446	4.5
139.00441	2.6
139.04004	3.0
151.00407	7.6
151.03960	2.0
153.01933	5.3
161.02438	1.6
168.00635	4.0
169.01439	69.2
170.01785	4.0
171.71727	1.5
176.45189	1.5
179.07266	1.4
183.02960	4.2
191.05717	1.6
211.02519	4.0
252.59943	1.7
260.73624	1.6
269.98148	3.7
270.98898	5.1
285.00427	9.9
297.97540	24.5
298.98340	16.4
299.99097	4.1
313.00024	51.2
313.05637	64.5
314.00632	31.0
314.06104	4.0
315.01266	5.0
328.02237	40.1
329.02991	45.5
330.03345	4.1
343.04575	18.6
374.70483	1.8
402.22287	1.7
491.08258	6.9
562.77557	1.9
596.03876	2.2
657.10974	100.0
658.11401	25.0
677.49963	4.3
689.07959	1.9
720.31464	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68007	0.7
59.01380	9.4
61.98835	100.0
65.20205	0.7
69.03445	1.1
69.97569	2.3
71.01398	5.8
72.99325	1.6
79.95732	1.3
80.96516	1.7
82.95441	2.4
83.01382	2.2
83.05012	1.1
84.72595	0.7
84.95107	1.4
85.00443	2.6
85.02977	1.8
87.00908	2.1
88.73496	0.7
88.98827	2.1
89.02458	1.6
94.98089	0.8
95.01403	2.4
96.96043	3.0
97.02981	1.7
98.21841	0.9
99.00923	1.6
99.04507	0.8
101.02456	3.1
107.01410	4.9
108.02171	2.1
109.02972	1.6
111.00886	2.9
113.02446	2.9
116.92905	0.9
119.03518	0.8
121.02998	3.8
123.00907	7.8
123.04536	2.7
123.83048	0.7
124.01701	1.6
125.02462	32.9
125.06104	1.0
130.71864	0.7
131.05919	0.8
135.04547	2.9
136.01701	1.0
137.02469	2.8
138.03227	1.7
139.00388	3.5
139.04028	5.5
139.11343	1.3
140.01196	3.0
149.02443	2.9
150.03198	1.5
151.00371	4.5
151.04048	2.8
153.01964	1.8
160.04059	1.4
161.02521	1.1
161.04494	1.0
163.03975	1.4
163.11241	1.8
164.04854	5.5
165.01924	1.4
165.05577	2.8
166.99884	0.9
167.03543	1.8
168.00647	5.7
169.00246	1.8
169.01443	43.9
169.12350	3.7
170.12634	1.1
171.10275	1.0
175.04054	0.8
179.03532	1.5
179.07161	2.4
181.12350	1.8
183.10266	2.5
184.02509	1.2
185.11856	0.7
191.03587	1.3
193.01520	1.8
195.06703	1.3
197.11804	5.4
198.12215	1.4
199.13454	1.5
207.10278	2.4
209.04602	0.9
209.08141	1.1
209.11852	15.7
210.12202	2.7
211.02509	6.4
225.11288	5.4
227.12968	2.4
243.12466	1.6
249.07744	0.7
269.98093	5.7
271.04614	5.5
282.25861	0.8
285.00403	3.4
289.07318	1.0
295.04834	0.9
297.97540	13.1
298.00848	0.8
298.98022	2.3
300.99835	1.3
312.99930	28.7
313.05753	2.4
314.00406	2.7
328.02200	14.0
329.02628	2.6
331.06818	0.8
333.13281	1.2
343.12042	1.0
357.26416	1.5
371.24368	0.9
373.25769	1.3
423.06052	1.3
483.07587	2.0
499.30716	1.6
569.22137	4.5
642.14734	1.0
657.18304	29.3
658.18726	5.9
677.85492	1.0
688.32507	3.2
689.33783	5.7
719.35156	1.6
720.23401	1.8
720.34888	7.4
721.23010	51.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
62.98542	0.2
63.15424	0.1
70.13326	0.4
88.04144	0.1
109.03007	0.1
111.65100	0.1
123.04579	0.2
209.11789	0.2
211.13554	0.2
268.59033	0.1
454.28561	0.1
621.10248	0.2
727.21582	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.3819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18661	1.4
58.00583	2.1
58.89888	1.4
59.01098	1.9
59.01387	33.2
61.52460	1.4
61.98845	8.5
69.03437	2.2
69.32494	1.3
70.45517	1.3
71.01389	26.1
72.99317	2.8
73.02950	3.3
73.05120	1.6
77.42537	1.2
80.17525	1.3
82.95419	5.6
83.01404	3.8
84.95129	12.2
85.02960	7.0
87.00888	5.2
89.02450	22.9
95.01388	1.8
97.02949	4.1
101.02451	22.0
113.02454	11.9
115.04008	1.9
119.03485	7.9
121.02998	1.8
124.57633	1.3
125.02451	9.4
131.03505	2.6
141.12936	1.5
143.03531	2.8
145.02931	3.0
148.13023	1.6
149.04500	1.8
161.02519	2.5
161.04539	6.2
179.05531	4.2
188.83347	1.8
209.78528	1.4
214.59756	1.5
221.06561	2.1
235.08247	9.3
279.23322	77.4
280.23657	12.6
287.07828	3.5
305.08771	4.9
323.10074	1.9
336.29395	1.6
397.13516	100.0
398.13904	7.3
415.14600	29.9
416.14737	2.6
473.71689	1.7
531.75702	1.8
635.38898	2.9
720.37256	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	720.3817
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24518	1.3
57.03448	2.0
59.01384	32.1
61.98843	7.2
64.89044	1.5
71.01029	2.4
71.01389	29.9
72.99313	3.0
73.02940	4.9
75.00914	1.8
83.01398	2.7
84.95130	3.8
85.02950	6.3
87.00876	8.1
89.02454	25.5
94.77603	1.3
96.96007	1.6
97.02951	3.5
98.22578	2.3
99.00872	3.6
101.02458	21.8
113.02453	13.6
119.03495	8.2
124.55923	1.6
125.02476	10.8
143.03484	4.0
150.35446	1.5
161.04579	7.1
179.05634	5.6
199.06284	1.6
221.06712	2.6
235.08257	10.9
253.09221	2.7
279.23300	91.0
280.23645	10.2
287.07770	5.4
305.08749	2.6
323.09805	3.4
397.13535	100.0
398.14078	7.9
415.14584	32.5
416.14920	2.5
677.38245	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.5034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.73777	0.3
61.98830	0.5
79.83518	0.3
81.03459	3.0
83.05033	10.2
108.04524	0.3
111.26594	0.2
115.97575	0.3
117.51405	0.3
125.02435	0.4
125.07215	0.8
134.22766	0.3
140.45079	0.3
169.01398	0.3
207.15031	0.8
209.16147	0.3
209.42790	0.2
224.17670	1.7
225.16087	9.1
226.16367	0.7
242.18661	0.5
309.21878	0.7
324.26535	0.6
333.23123	0.8
341.29388	0.6
367.27240	1.2
427.58618	0.3
433.32040	0.8
447.23407	0.3
450.34598	1.0
451.32928	5.1
452.33301	1.0
550.43433	0.9
593.44495	0.4
659.48846	1.2
660.48633	0.5
677.49707	100.0
678.50018	30.8
720.50354	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
69.15357	4.9
71.01376	1.7
73.02918	0.7
79.81623	0.7
83.01373	0.7
85.02943	2.3
89.02485	0.8
95.01389	1.1
100.29398	0.7
101.02419	1.0
108.02180	57.7
109.02994	16.0
111.95123	0.7
113.02461	1.3
123.00865	0.9
123.04527	0.7
125.02431	2.6
133.02969	1.0
151.03993	1.4
152.01158	47.3
153.01955	17.9
163.04016	1.4
165.01895	1.7
305.80551	0.7
315.07230	100.0
316.07544	9.0
355.92429	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.4
67.01884	1.2
67.27629	0.5
69.03448	1.0
71.01382	2.5
76.73918	0.7
79.01894	0.7
81.03467	0.9
83.01400	0.9
85.00464	0.5
85.02962	1.0
87.00874	1.0
95.01414	2.4
97.02964	1.1
98.22521	1.6
99.04524	1.2
101.02468	2.0
101.06105	1.5
107.01395	10.6
109.03003	0.8
111.00903	2.9
113.02460	1.4
123.00895	12.8
124.01678	2.1
125.02457	51.0
126.02809	1.4
136.98836	1.6
137.02461	1.5
138.03271	0.6
139.00371	4.6
139.03955	0.5
140.01219	4.5
141.01967	0.9
143.49257	0.6
151.00374	6.8
153.02058	0.6
161.02402	0.6
163.04048	0.9
165.01869	0.9
166.99892	0.7
167.03503	1.0
168.00674	5.9
169.01437	63.9
170.01799	1.6
179.03453	0.8
181.01450	1.6
193.01471	2.0
193.05045	0.5
211.02499	10.6
253.03603	1.2
271.04602	6.5
295.04651	1.5
313.05679	4.1
326.67459	0.5
331.06653	1.0
415.27859	0.8
423.05869	2.1
483.07809	2.3
485.16571	1.4
551.21783	0.9
569.22382	10.5
570.22809	1.3
620.71832	0.7
665.61804	0.6
721.23529	100.0
722.23883	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	4.3
58.32567	0.5
59.01390	0.9
69.03446	0.9
71.01366	0.6
81.03459	3.1
83.01387	3.0
90.65380	0.5
93.03456	1.7
95.01407	0.9
95.05054	3.9
96.96031	0.4
97.02947	5.5
99.04485	0.5
107.05021	0.6
108.02156	1.4
109.02959	26.8
110.03290	0.8
118.26432	0.5
121.02955	4.3
122.03770	1.1
123.04539	18.7
124.04855	1.2
125.02458	23.1
126.02809	1.1
133.02974	0.7
135.04597	2.4
137.02463	9.7
138.03212	1.0
139.04015	3.7
145.02977	1.3
146.03748	1.1
147.04553	0.5
149.02469	4.3
150.03215	1.8
151.04024	9.3
159.04529	3.3
160.05321	2.3
161.02469	2.2
161.06108	5.3
162.03241	1.7
162.06464	0.6
163.04037	1.0
164.01204	3.9
165.01944	4.1
165.72948	0.5
166.02614	0.7
167.03462	1.8
170.22606	0.5
173.06090	1.2
174.03178	0.8
175.04018	2.8
175.07664	1.8
177.01962	0.7
177.05478	0.8
177.50630	0.5
179.03508	6.7
185.06091	0.5
187.03996	4.8
188.04790	3.7
191.05707	0.6
201.05598	1.1
202.06346	2.0
203.07152	13.7
204.07564	1.0
205.05077	8.6
206.05356	0.6
211.04025	0.6
212.04796	0.9
217.05028	0.8
217.08719	1.1
221.08244	3.3
227.07196	2.0
230.05859	0.6
231.03030	0.8
243.02963	1.4
245.08167	17.3
246.08560	1.5
247.06161	1.1
271.06024	0.7
275.02020	0.4
287.05460	0.6
289.07193	100.0
290.07513	10.0
407.07813	0.6
431.15677	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78790	0.6
59.01385	2.1
61.98839	1.0
67.01913	0.9
68.99806	0.7
69.03465	1.7
70.95064	0.7
71.01393	3.3
71.88235	0.6
72.99318	1.0
73.02969	1.0
79.01917	1.1
79.95727	1.2
81.03469	1.1
83.01416	1.3
85.02957	1.1
87.00924	0.9
93.03487	1.9
95.01379	3.6
96.96017	19.8
96.96628	1.3
97.03001	1.8
99.04526	1.0
101.02459	2.6
101.06099	2.0
107.01401	8.7
107.75665	0.6
109.02949	0.9
110.72055	0.6
111.00922	2.3
113.02486	2.0
113.06111	1.1
116.92880	1.9
120.99689	2.5
121.02993	1.0
123.00893	11.0
124.01696	2.0
125.02459	58.4
126.02803	2.7
127.00391	1.0
129.73552	0.7
134.10640	0.6
135.04570	0.8
136.98779	1.4
137.02495	2.6
139.00374	5.7
140.01163	4.3
141.01978	1.2
149.02507	0.8
151.00374	8.1
153.02025	1.3
165.01993	1.6
166.99847	1.1
167.03552	2.1
168.00667	8.1
169.01434	75.9
170.01822	3.5
175.04013	0.6
177.01932	0.7
179.03560	1.4
181.01532	1.3
181.05067	0.8
190.06300	0.8
193.01460	2.8
207.03259	0.8
211.02489	13.7
211.04308	0.9
223.02406	0.6
232.07008	0.7
235.02483	0.8
237.04112	1.1
244.79900	0.8
253.03612	1.3
271.04611	9.9
295.04691	0.9
313.05652	5.8
331.06744	3.3
359.18539	0.6
423.05746	5.7
470.97211	0.7
483.07620	6.2
484.08786	0.9
485.17105	1.4
551.21582	1.1
553.62909	0.8
569.22363	9.5
570.22681	1.4
598.80920	0.8
721.23682	100.0
722.23962	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	721.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	2.1
61.98827	3.5
63.36133	0.4
63.78233	0.4
64.53610	0.4
67.01894	1.0
69.03442	0.8
69.16315	3.2
70.32831	0.5
71.01396	2.0
71.31931	0.4
72.99302	0.8
73.02933	0.8
75.56219	0.4
76.73909	0.5
78.72240	0.4
78.81540	0.4
79.01893	1.2
81.03464	0.9
82.95423	0.8
83.01388	0.7
85.00442	0.8
85.02950	1.5
87.00864	0.7
89.02457	0.8
95.01384	1.8
97.02950	1.7
99.00873	0.7
99.04523	1.7
101.02456	2.0
101.06089	1.6
107.01395	8.6
109.02966	0.5
111.00891	2.4
113.02431	1.0
113.06078	0.5
119.85719	0.4
123.00891	10.1
124.01714	2.1
125.02456	50.2
126.02808	1.3
127.00391	0.9
136.98819	1.7
137.02455	1.0
138.63992	0.5
139.00377	4.3
139.04045	0.6
140.01164	4.1
141.01915	0.7
151.00374	6.9
151.04039	1.1
153.01930	1.0
160.24040	0.4
163.04108	0.8
163.11243	0.4
165.01904	0.8
166.99886	1.0
167.03575	0.8
168.00655	7.5
169.01434	67.5
170.01788	2.5
171.10263	0.4
179.03528	0.9
181.01407	1.2
181.05098	0.4
183.02986	0.5
193.01428	2.2
193.04999	0.5
207.02953	0.8
207.10397	0.6
209.04526	0.5
209.11821	1.2
211.02505	13.8
212.02861	0.6
225.11398	0.9
235.02379	0.6
237.03966	0.8
241.03549	1.2
253.03560	1.5
271.04623	9.1
279.44888	0.4
295.04669	1.2
313.05652	5.3
331.06720	3.3
359.60995	0.5
394.38516	0.6
423.05795	4.8
424.06198	0.7
467.15231	0.5
483.07983	4.2
484.08276	0.5
485.16736	2.2
551.21289	0.8
569.22375	9.0
570.22827	1.5
658.22064	0.9
689.33655	1.7
690.33868	0.5
721.23486	100.0
722.23804	26.3
722.36908	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95224	1.0
59.01389	1.5
61.75586	1.0
63.61439	1.1
63.81069	1.0
67.01900	1.7
69.03459	1.7
71.01395	3.9
73.02980	1.4
79.01909	1.6
83.01375	1.4
96.96033	1.0
97.02986	2.0
98.21718	2.1
100.56094	1.0
101.02476	1.4
107.01395	16.4
109.02945	1.6
111.00900	2.7
113.02467	1.8
121.03010	1.6
123.00892	14.8
123.04537	1.8
124.01697	3.0
125.02458	70.3
126.02814	2.9
127.00402	1.8
136.98856	2.4
137.02461	2.4
139.00401	7.8
139.04050	3.2
140.01195	6.1
141.01974	2.5
146.03767	2.1
149.02440	5.8
150.03195	6.8
151.00381	9.3
151.04013	3.8
153.01892	1.4
162.03314	1.7
164.04919	2.1
165.02065	1.2
165.05565	6.9
166.06360	1.8
166.99889	2.4
168.00636	8.3
169.01443	77.2
170.01801	3.3
179.07156	2.3
181.05093	10.7
182.05814	2.6
183.03047	10.1
183.06065	1.1
195.06718	3.4
196.07437	6.1
197.08086	2.6
211.02531	2.7
211.09734	1.7
223.02565	1.8
241.03613	1.6
288.75458	1.1
313.05692	22.1
314.06201	2.5
327.07367	7.4
403.36725	1.1
427.75128	1.4
493.13901	2.4
494.14667	3.8
509.12949	16.5
510.13647	2.7
523.14331	2.9
573.89307	1.3
665.75433	1.3
721.23517	100.0
722.23834	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	721.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68401	0.3
54.69714	0.3
55.01893	0.4
59.01384	2.5
61.98825	3.4
65.00312	0.3
67.01890	1.0
69.03469	1.5
71.01379	3.6
71.05019	0.5
72.99297	0.6
73.02940	1.1
79.01905	0.8
81.03461	0.7
83.01393	1.3
84.95105	0.3
85.00417	0.9
85.02973	1.8
87.00884	1.0
88.98783	0.4
89.02435	1.0
95.01393	2.4
95.04939	0.3
96.96063	0.4
97.02947	1.4
99.04525	1.8
101.02444	2.2
101.06096	1.3
107.01395	10.2
108.02242	0.4
109.02987	0.7
111.00890	2.3
113.02467	1.9
113.06104	1.1
119.03573	0.4
121.02971	0.4
123.00896	12.7
123.04521	0.6
124.01699	2.1
124.88627	0.4
125.02455	55.4
126.02781	1.8
126.66692	0.3
127.00360	0.8
135.04533	0.5
136.98825	1.5
137.02449	0.5
137.06192	0.3
138.03171	0.3
139.00395	4.9
139.03995	0.8
139.11324	0.3
140.01204	4.4
141.01932	1.5
145.02971	0.4
146.15324	0.3
149.02470	1.5
151.00377	8.4
151.04010	0.5
153.01944	0.9
154.99890	0.5
161.02484	0.4
161.04607	0.5
163.04045	0.4
164.00078	0.3
164.04808	1.5
165.01950	1.2
165.05579	1.0
166.99883	0.9
167.03546	1.5
168.00645	8.5
169.01436	78.2
170.01794	3.1
175.04079	0.4
176.65456	0.3
177.02010	0.3
179.03526	1.0
179.07083	0.4
181.01434	1.6
181.05133	0.6
183.03008	0.9
183.10281	0.6
191.03490	0.4
193.01401	2.6
193.05121	0.4
199.13377	0.4
207.03018	0.5
207.10185	0.4
209.11717	0.9
211.02484	15.4
212.02838	0.8
223.02385	0.4
225.00787	0.3
225.03923	0.3
225.11369	0.8
235.02426	0.6
237.03995	0.8
241.03659	1.0
253.03473	1.5
271.04605	11.2
272.04984	0.8
295.04721	1.5
313.05679	6.5
314.05899	0.4
331.06714	3.4
371.36493	0.3
373.25912	0.4
393.98303	0.4
412.92700	0.3
423.05756	6.4
424.06052	0.5
467.15649	0.5
483.07809	7.4
483.14423	0.6
484.07913	0.9
485.16727	2.4
551.21790	0.7
569.22333	10.5
570.22675	1.8
637.16821	0.3
689.33838	0.7
721.23468	100.0
722.23828	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.2
61.98820	3.5
64.72834	0.8
67.01896	0.9
69.03457	1.1
71.01382	3.2
71.05045	1.6
83.01385	1.1
85.00450	2.0
85.02942	1.4
87.00871	1.7
87.04522	2.2
88.98812	1.2
89.02443	1.1
95.01412	1.3
101.02457	1.6
101.06090	1.1
107.01399	8.4
109.02956	1.2
111.00848	1.0
113.02464	2.2
119.03336	1.1
123.00912	7.4
123.04549	1.2
124.01666	2.0
125.02457	48.0
126.02783	1.3
136.98799	1.0
139.00372	4.1
139.04027	1.5
140.01175	3.1
151.00362	5.5
151.04100	0.9
165.01900	0.9
168.00668	5.1
169.01436	65.2
170.01767	2.9
211.02525	6.1
230.61464	1.1
231.73314	1.0
235.02492	1.1
237.04024	1.0
253.03546	1.8
255.16008	1.6
255.28239	0.9
271.04614	6.0
295.04544	2.1
313.05814	5.8
551.21582	1.3
569.22296	7.8
570.22693	2.2
589.38342	1.1
721.23486	100.0
722.11865	1.7
722.23840	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47671	1.0
60.76913	1.1
65.00312	1.6
67.01887	1.2
69.03413	1.2
69.12833	9.0
71.01378	5.4
75.07837	1.2
79.01907	2.2
79.02380	1.2
81.66537	1.1
85.02979	1.3
88.24866	1.3
95.01392	1.9
101.02445	1.7
106.00642	1.3
107.01404	12.8
111.00908	2.7
113.02443	2.3
119.05592	1.3
121.02930	2.0
123.00892	13.5
123.04475	1.5
124.01633	1.8
125.02457	69.2
126.02802	3.0
127.00386	1.9
134.55522	1.2
135.04512	3.9
136.98830	2.1
137.02472	9.1
138.03229	2.3
139.00407	5.9
139.04054	2.2
140.01172	5.5
141.01964	1.7
148.05292	3.7
149.02412	6.9
150.03180	1.4
151.00406	9.8
151.04070	1.8
152.04785	3.9
153.01901	1.3
153.05580	1.8
163.07671	1.9
164.04796	18.4
165.05550	2.4
166.99890	1.4
168.00650	7.0
169.01442	84.9
170.01813	3.7
170.92365	1.4
179.03436	2.0
179.07167	6.8
181.05188	1.5
183.03017	10.0
184.03722	1.6
211.02563	1.8
212.06827	6.5
213.07561	3.5
227.09215	2.3
241.03664	2.1
313.05695	24.4
314.05701	1.3
327.07285	4.5
477.13950	4.7
493.13498	13.2
494.13766	2.2
546.48022	1.2
616.58942	1.3
721.23511	100.0
722.23865	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	721.324
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	4.3
72.40125	0.7
93.03450	0.9
98.21821	1.5
108.02172	0.9
109.02957	1.5
120.99652	2.0
121.02982	2.1
123.04562	1.2
125.02499	2.8
137.02432	1.4
146.03838	0.9
147.04506	3.1
150.03204	0.8
155.10777	0.8
159.04533	0.7
161.06105	0.9
163.04022	1.1
164.04884	1.0
165.01888	1.1
165.05600	7.3
169.01489	1.7
179.07118	1.2
214.06093	0.8
215.03352	0.7
241.05037	1.2
243.06702	2.5
255.06497	1.0
256.07336	1.2
257.08243	3.2
258.09036	1.3
267.06610	1.2
268.07507	1.5
270.08804	1.1
271.09769	1.3
281.08450	1.0
283.09894	1.5
285.07648	1.0
285.11276	1.4
286.08554	1.4
290.07990	3.0
299.09244	1.4
300.06805	1.1
300.10013	1.6
301.10861	3.3
314.07980	1.6
315.12463	2.1
325.10944	2.0
327.12363	1.4
329.14221	0.8
339.12616	1.4
343.11862	1.4
475.16571	0.9
477.19131	1.1
481.18564	2.0
492.17929	2.4
493.19165	1.3
495.20374	8.6
496.20581	1.7
507.20303	12.0
508.20944	2.4
509.22263	3.4
510.22726	0.8
511.19202	0.8
521.21295	1.2
523.23004	1.0
525.21381	7.4
526.21796	1.4
539.22870	3.4
675.28400	2.9
721.32397	100.0
722.32776	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52517	3.2
60.99310	19.3
69.04029	20.4
69.04438	8.5
72.46905	2.8
88.98813	100.0
91.86069	3.0
109.35328	3.2
116.92867	5.2
121.37833	3.0
146.76347	3.1
166.18719	3.3
216.50627	4.1
238.78305	3.1
276.06873	3.0
527.43079	3.9
551.19879	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	721.36
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51398	0.2
54.15359	0.2
60.99311	18.8
61.98828	0.3
67.81747	0.2
81.70084	0.3
88.98812	100.0
89.99148	1.0
94.93284	0.2
133.02962	0.9
161.02464	3.6
172.58731	0.2
305.26379	0.3
315.41806	0.3
445.06116	0.3
587.37604	1.1
588.38159	0.3
631.36432	3.9
632.36823	1.0
643.78101	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99310	18.8
61.98821	1.1
66.91907	1.0
68.99569	2.3
86.17127	1.1
88.98811	100.0
89.17327	1.0
92.57417	1.2
98.21797	2.0
106.29179	0.9
109.66191	1.0
109.96069	0.9
112.98590	1.7
124.26962	0.9
128.68587	1.0
220.85339	1.0
228.75777	1.1
229.21677	1.1
265.45142	1.0
528.27582	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.396
Annotation	Myxochromide S1
Peak:m/z	Relative Intensity
59.01372	9.6
61.98822	5.7
96.96002	3.1
98.22541	7.4
105.03487	2.5
116.92897	4.1
118.23267	1.7
119.05042	5.5
120.46556	1.6
125.66741	1.7
132.02190	14.6
133.02992	10.3
134.03729	8.3
135.04372	1.9
136.01668	7.6
137.02515	1.7
147.04576	3.2
153.05585	3.7
160.01678	56.0
161.02425	2.5
163.03911	1.8
175.04028	52.4
190.63211	1.8
192.04247	4.5
193.05066	6.6
214.26398	1.8
218.74084	1.8
229.63611	2.5
279.23343	2.6
279.72632	1.9
280.23697	3.6
357.80701	1.8
445.96225	2.2
469.32886	2.2
541.79474	2.1
643.36066	2.6
661.37317	5.6
672.29688	2.1
721.39642	100.0
722.40106	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4069
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29641	4.1
58.63221	3.7
59.01384	74.5
61.98863	5.4
70.18396	3.8
71.08380	7.2
71.37929	4.1
88.98813	15.5
102.92336	5.6
102.99740	8.0
103.00383	100.0
103.01482	7.2
116.92862	9.5
133.02971	7.7
161.02448	11.1
166.93689	4.2
223.28220	3.7
277.21878	9.0
308.12585	3.9
339.12021	4.1
381.29916	5.0
542.17914	4.9
573.39294	12.8
617.38574	50.4
617.47650	8.0
618.38684	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	721.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	6.9
59.38347	0.4
61.98798	0.6
62.34666	0.4
69.03432	0.6
71.01381	4.4
73.02915	1.5
81.03443	1.6
83.01370	1.0
83.04994	1.8
85.02921	1.3
87.00876	1.4
89.02469	2.7
95.01389	0.6
97.02962	4.1
99.00879	0.8
101.02445	4.7
107.75236	0.5
109.06593	15.8
110.03712	0.6
113.02430	1.9
119.03481	0.6
121.06622	1.0
135.08130	1.4
136.05289	0.8
142.02679	1.3
143.03600	0.6
145.05051	0.8
161.04530	2.1
161.09688	1.0
163.11275	9.4
168.32516	0.6
181.08728	0.7
181.12357	2.2
189.09253	1.8
207.10269	56.5
208.10638	4.4
209.08324	0.9
209.11818	1.3
225.07889	1.0
225.11322	21.6
225.13557	1.1
226.11659	1.0
228.76791	0.5
235.08209	5.5
243.12383	0.7
253.09308	10.2
254.09543	0.8
277.21735	100.0
278.22073	10.4
299.15216	0.7
443.19403	3.1
444.19479	0.6
461.20273	5.4
467.31525	0.6
485.32205	0.7
703.41040	0.9
721.41766	23.4
722.42114	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	722.3973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63059	2.4
59.01391	28.9
60.99302	16.9
61.98829	5.5
71.01396	30.9
72.99338	2.9
73.02937	5.2
83.01400	2.7
85.02972	3.9
87.00873	8.4
88.98814	97.5
89.02447	27.9
89.99168	2.6
97.02944	6.4
98.22586	4.1
101.02458	24.9
110.09912	2.3
113.02464	14.1
116.92864	4.1
119.03522	9.5
125.02444	9.0
135.34445	2.6
161.04491	3.6
179.05695	3.6
235.08220	12.5
253.09222	4.2
281.24875	92.9
282.25305	12.6
287.07486	2.7
293.62540	2.3
305.08789	4.3
397.13535	100.0
398.13925	11.1
415.14532	31.6
416.14670	3.2
433.69574	3.3
518.35394	2.7
632.36639	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	723.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91582	0.8
58.00536	1.0
59.01381	7.5
60.09603	0.7
61.43228	0.9
67.01887	1.1
69.03458	1.2
69.57893	3.4
71.01391	2.1
77.31961	0.7
83.01386	1.3
85.02961	1.5
87.00887	1.7
95.01408	2.5
97.02977	1.3
98.22569	0.9
101.02457	2.0
107.01404	10.2
111.00887	3.0
113.02450	1.5
123.00907	11.6
124.01677	2.9
125.02457	52.0
136.98834	1.5
139.00406	4.3
140.01175	4.6
141.01955	1.3
151.00389	7.6
152.90129	0.8
168.00668	6.0
169.01439	59.1
170.01807	2.4
171.45155	0.8
181.01437	1.3
207.03123	1.3
211.02483	6.3
244.67740	0.8
253.03688	0.9
267.19229	0.9
271.04611	5.6
313.05740	3.6
321.96100	0.8
385.11716	1.4
501.32251	17.7
502.32767	3.7
553.23328	1.4
571.23926	15.2
572.24152	2.4
723.25104	100.0
724.25427	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	723.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91582	0.8
58.00536	1.0
59.01381	7.5
60.09603	0.7
61.43228	0.9
67.01887	1.1
69.03458	1.2
69.57893	3.4
71.01391	2.1
77.31961	0.7
83.01386	1.3
85.02961	1.5
87.00887	1.7
95.01408	2.5
97.02977	1.3
98.22569	0.9
101.02457	2.0
107.01404	10.2
111.00887	3.0
113.02450	1.5
123.00907	11.6
124.01677	2.9
125.02457	52.0
136.98834	1.5
139.00406	4.3
140.01175	4.6
141.01955	1.3
151.00389	7.6
152.90129	0.8
168.00668	6.0
169.01439	59.1
170.01807	2.4
171.45155	0.8
181.01437	1.3
207.03123	1.3
211.02483	6.3
244.67740	0.8
253.03688	0.9
267.19229	0.9
271.04611	5.6
313.05740	3.6
321.96100	0.8
385.11716	1.4
501.32251	17.7
502.32767	3.7
553.23328	1.4
571.23926	15.2
572.24152	2.4
723.25104	100.0
724.25427	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	723.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83088	1.3
60.99305	15.4
61.98830	1.6
69.14788	9.0
74.48689	1.2
88.98812	100.0
94.09799	1.0
115.92079	1.4
116.92864	4.2
123.64826	1.3
127.43239	1.2
148.70135	1.2
161.02390	1.4
174.00162	1.2
203.90982	1.0
209.11841	5.1
277.21756	3.8
280.01199	1.2
348.19208	1.1
587.31384	1.2
596.17188	1.4
633.37958	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	723.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61154	0.6
57.85814	0.7
60.99310	18.4
61.63070	0.6
88.98814	100.0
89.99162	0.9
116.92883	2.2
131.68448	0.7
133.02939	0.7
137.02470	1.7
150.52144	0.7
161.02426	2.3
314.22443	0.7
360.84415	0.7
459.03134	0.7
633.37933	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	723.3982
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15356	0.8
56.61476	0.8
57.03450	2.0
58.00591	1.0
59.01381	49.8
61.98815	0.9
65.65302	0.8
70.94905	0.7
71.01389	4.8
71.29544	1.0
73.02959	2.4
75.00909	0.8
83.01372	1.2
85.02974	2.2
89.02460	2.9
95.01403	1.4
96.96021	6.9
97.02991	0.8
101.02467	2.9
107.01400	2.3
108.02261	1.5
109.02976	1.8
113.02424	4.5
119.03499	2.2
121.02992	1.6
123.00897	3.1
123.04575	1.3
125.02445	12.7
126.02817	2.4
135.04488	0.8
137.02461	1.9
137.97130	0.8
139.03967	0.7
149.02507	1.4
151.00316	1.9
151.03987	2.0
152.01088	1.2
161.04607	2.0
164.04800	1.4
165.01970	1.3
166.99875	1.5
168.00557	1.6
169.01440	9.4
170.01813	3.7
171.01828	2.2
179.03467	1.3
179.07085	1.1
182.02238	2.6
183.03026	1.0
195.06509	1.3
197.04535	6.0
207.13983	0.9
289.07104	1.7
313.05682	1.7
314.06052	1.7
315.06366	2.0
391.26566	1.6
395.29575	1.3
407.29572	1.3
411.29239	1.0
413.82919	0.9
423.29114	3.7
425.30737	16.2
426.31027	3.1
437.30441	3.1
441.30225	4.9
442.30179	1.1
455.31754	25.4
456.31992	4.9
457.33447	5.8
459.31235	3.1
471.31210	4.0
472.31534	1.1
473.29208	3.2
489.32251	100.0
490.32574	19.8
491.32727	1.1
501.32294	23.5
502.32394	5.0
507.33084	1.9
533.31189	17.3
534.31616	3.8
543.33441	4.5
544.33588	1.0
657.33630	0.9
663.36798	1.3
723.24030	17.1
724.24091	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	723.3982
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15356	0.8
56.61476	0.8
57.03450	2.0
58.00591	1.0
59.01381	49.8
61.98815	0.9
65.65302	0.8
70.94905	0.7
71.01389	4.8
71.29544	1.0
73.02959	2.4
75.00909	0.8
83.01372	1.2
85.02974	2.2
89.02460	2.9
95.01403	1.4
96.96021	6.9
97.02991	0.8
101.02467	2.9
107.01400	2.3
108.02261	1.5
109.02976	1.8
113.02424	4.5
119.03499	2.2
121.02992	1.6
123.00897	3.1
123.04575	1.3
125.02445	12.7
126.02817	2.4
135.04488	0.8
137.02461	1.9
137.97130	0.8
139.03967	0.7
149.02507	1.4
151.00316	1.9
151.03987	2.0
152.01088	1.2
161.04607	2.0
164.04800	1.4
165.01970	1.3
166.99875	1.5
168.00557	1.6
169.01440	9.4
170.01813	3.7
171.01828	2.2
179.03467	1.3
179.07085	1.1
182.02238	2.6
183.03026	1.0
195.06509	1.3
197.04535	6.0
207.13983	0.9
289.07104	1.7
313.05682	1.7
314.06052	1.7
315.06366	2.0
391.26566	1.6
395.29575	1.3
407.29572	1.3
411.29239	1.0
413.82919	0.9
423.29114	3.7
425.30737	16.2
426.31027	3.1
437.30441	3.1
441.30225	4.9
442.30179	1.1
455.31754	25.4
456.31992	4.9
457.33447	5.8
459.31235	3.1
471.31210	4.0
472.31534	1.1
473.29208	3.2
489.32251	100.0
490.32574	19.8
491.32727	1.1
501.32294	23.5
502.32394	5.0
507.33084	1.9
533.31189	17.3
534.31616	3.8
543.33441	4.5
544.33588	1.0
657.33630	0.9
663.36798	1.3
723.24030	17.1
724.24091	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	723.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03382	0.3
58.13136	0.3
59.01308	25.0
59.01637	2.9
60.01680	0.5
61.98763	1.6
62.63013	0.3
71.01299	1.4
71.01644	0.4
79.01855	0.6
79.02552	0.4
81.03357	0.4
85.02879	0.5
89.02365	0.9
91.56841	0.4
95.01324	0.6
97.02879	0.7
101.02348	1.1
103.80878	0.4
107.01411	2.9
108.01662	0.3
111.00853	0.9
113.02343	1.2
116.87800	0.4
119.03436	0.9
123.00901	3.8
124.01636	0.6
125.02457	13.4
126.02692	1.5
127.02829	0.3
137.02379	0.4
139.00287	1.4
140.01074	1.1
151.00392	2.2
157.12213	0.4
160.03911	0.6
161.04462	0.6
168.00639	2.4
169.01431	17.1
170.01819	1.9
211.02531	2.4
271.04523	1.1
272.04865	0.6
313.05746	0.9
343.78867	0.4
402.33115	0.5
424.12311	0.4
501.32248	100.0
502.32574	22.8
502.40179	0.9
515.33344	0.5
543.33405	1.1
553.22662	0.5
571.23798	4.1
572.24237	1.0
663.36792	0.8
723.24945	30.5
723.39227	3.9
724.25494	9.6
724.40002	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01320	26.8
59.01655	2.5
60.99264	0.7
61.98770	4.7
67.01843	0.6
67.02207	0.6
69.22910	4.7
71.01317	3.9
72.02116	0.7
73.02882	4.7
77.42799	0.7
85.02874	1.1
85.90762	0.7
88.98763	1.3
89.02430	1.6
95.01306	1.1
96.95966	1.0
98.22591	1.1
101.02367	3.0
107.01350	1.6
109.02886	0.7
111.92537	0.7
113.02399	2.0
119.03447	1.2
123.00800	2.1
125.02448	9.6
126.02700	0.7
137.56523	0.7
139.00285	0.8
139.03952	0.8
140.01086	0.8
151.00237	1.6
151.03976	0.8
153.01956	0.7
155.10608	0.8
168.00644	3.3
169.01445	17.1
170.01704	1.4
197.16718	0.8
211.02351	2.2
271.04413	0.8
307.98120	0.7
313.05460	1.0
389.28677	4.7
391.30191	2.3
392.30328	0.9
405.28204	0.9
407.29596	7.4
408.29858	1.7
419.29456	2.4
423.29016	4.2
424.29370	1.0
439.32376	5.0
440.32492	1.1
453.30374	1.2
455.31775	6.2
456.32254	1.5
457.33548	1.8
471.31213	1.8
473.32651	10.1
474.33182	10.1
475.33667	0.7
489.32257	100.0
490.32544	17.6
501.32193	4.1
502.32526	1.4
515.33313	1.0
533.31750	1.3
543.33203	4.2
571.24036	3.0
572.24512	0.9
663.37958	3.1
723.25201	27.9
723.39105	4.7
724.25543	9.4
724.38263	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4077
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50092	0.2
59.01385	1.1
59.97247	0.2
60.59873	0.2
61.98835	100.0
62.98523	0.2
63.69437	0.2
69.03520	0.2
71.01404	0.9
72.76588	0.2
89.02467	0.8
91.12443	0.2
98.22611	0.4
101.02479	0.5
109.39362	0.2
113.02494	0.5
125.02468	0.3
125.09756	0.2
140.86450	0.2
143.98027	0.2
161.02478	0.3
163.11351	0.3
185.11914	0.2
203.03365	0.2
207.10403	0.3
209.11951	0.8
244.36591	0.2
245.19276	0.3
289.18103	0.9
290.18536	0.2
307.19275	0.5
316.75391	0.2
329.03085	0.3
357.26410	0.2
457.33575	0.7
458.33853	0.5
459.34555	0.3
460.34161	0.3
501.32675	0.3
543.19110	0.3
607.25842	0.2
621.06769	0.3
723.27649	0.3
723.40283	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.6
59.01385	3.9
59.89708	0.5
69.89919	0.4
71.01385	3.5
73.02941	1.1
80.02666	0.7
81.03457	0.9
83.01369	0.7
83.05035	3.4
84.02206	0.4
85.02959	0.8
87.00905	0.8
89.01986	0.5
89.02441	2.3
93.65729	0.3
95.05069	0.4
97.02954	0.4
99.00896	0.4
101.02447	3.0
106.94088	0.3
109.28212	0.3
113.02466	1.4
119.03503	0.6
125.06081	0.4
145.05086	1.0
161.04585	1.5
163.11333	2.5
165.12822	1.6
179.05624	0.5
181.12370	0.6
191.10815	0.9
209.11835	75.0
210.12164	5.7
227.12888	8.0
233.22704	0.6
235.08234	5.1
253.09265	8.9
254.09517	0.5
275.19998	0.5
277.21725	100.0
278.22073	11.3
445.20804	0.6
672.47498	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.2
57.03440	0.2
59.01381	2.6
69.03446	0.2
71.01382	2.3
71.05029	0.2
71.27759	0.2
73.02958	0.4
80.02682	1.2
81.03466	1.3
83.01387	0.4
83.05032	4.7
84.02192	0.6
85.02965	0.6
87.00871	0.4
89.02457	2.1
93.03474	0.2
95.01385	0.2
95.04527	0.1
95.05041	0.8
97.06593	0.3
99.00900	0.2
101.02444	2.2
109.06598	0.3
111.04541	0.1
113.02460	0.8
119.03546	0.4
125.06107	0.4
125.09739	0.2
133.05098	0.2
135.08186	0.7
143.03542	0.1
147.11868	0.3
151.35805	0.1
153.12860	0.2
161.04546	0.8
163.11299	3.6
164.11803	0.2
165.12849	2.3
166.13313	0.1
178.23909	0.1
179.05592	0.4
181.12343	0.5
191.10803	1.0
192.11122	0.1
209.11836	100.0
210.12167	7.1
210.14218	0.3
225.11324	0.2
227.12898	9.6
228.13240	0.7
233.22795	0.2
235.08238	1.2
253.09290	6.6
254.09641	0.3
263.26974	0.1
275.20233	0.1
277.21725	46.4
278.22095	5.1
278.25214	0.2
367.27048	0.1
445.21027	0.8
463.21622	0.2
570.92432	0.1
723.43750	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	725.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
58.54922	0.4
59.01097	0.6
59.01384	13.9
60.99312	15.7
61.98825	4.4
71.01385	2.1
71.28178	0.6
71.28590	0.8
72.99331	0.6
73.02953	1.0
75.54662	0.5
80.16841	0.4
85.02948	0.7
87.00885	1.7
88.98813	100.0
89.02447	3.6
93.03425	0.7
95.01450	0.7
95.05071	0.7
101.02481	0.7
107.01406	1.3
108.02154	0.7
111.00893	1.3
113.02476	1.1
123.00910	1.6
123.04501	1.0
125.02460	13.7
126.02799	1.1
134.03644	0.6
139.00427	0.9
139.04057	1.0
140.01234	0.5
149.02484	0.5
151.00464	0.7
160.04048	1.1
161.02505	0.9
161.04430	0.7
164.04800	0.7
168.00658	0.9
169.01442	16.3
170.01758	0.9
179.10745	0.8
211.39667	0.5
223.09714	3.8
233.04691	0.5
295.04648	0.7
313.05661	3.8
313.11371	0.7
379.30112	0.7
391.30316	0.6
409.31128	3.5
421.30945	2.2
441.33804	6.7
459.35168	0.6
465.06546	2.8
473.33020	1.5
503.33850	17.4
504.34241	1.5
665.39618	0.9
689.17242	13.6
690.17188	3.0
725.25073	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	725.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.3
61.98836	5.2
69.89610	0.6
71.02387	1.0
98.11660	0.7
100.78131	0.7
108.02184	0.8
109.02969	10.2
113.02545	0.7
121.02939	0.8
121.41032	0.9
123.04580	1.1
125.02430	3.4
133.02975	1.8
135.04489	3.3
137.02481	3.2
151.04048	0.8
159.04546	2.2
161.02475	3.5
164.04790	0.9
167.03502	0.9
169.01486	1.6
177.01950	0.7
191.03455	0.7
203.03540	0.9
211.04051	2.3
239.03554	2.1
240.04254	2.0
241.05083	2.5
243.06670	1.5
253.05013	0.9
262.06631	1.1
275.07196	1.1
284.31473	0.7
286.06439	1.1
287.07047	0.8
291.06866	1.0
299.07108	0.9
301.05084	1.1
302.06003	1.2
303.06641	1.4
313.05325	0.9
314.05969	1.2
315.06729	2.4
317.04590	1.0
318.05157	0.9
327.06528	1.0
328.03461	0.8
329.04514	1.7
330.05359	2.7
331.06070	4.0
332.07007	1.0
341.04535	1.4
341.08243	1.3
343.06113	3.9
343.09769	0.7
344.06897	1.4
345.07928	1.0
353.08344	1.1
355.05823	1.2
358.04947	1.1
359.05511	4.5
360.06351	0.8
361.07339	1.0
365.08392	2.5
367.09848	1.1
368.07062	1.0
369.07907	1.0
371.05441	1.5
373.07266	1.4
381.07721	1.8
382.08160	1.3
383.09454	2.0
393.07819	2.2
395.09271	1.8
397.07333	1.4
399.08957	0.8
405.07748	1.3
406.08362	1.1
407.09250	1.4
409.07294	2.3
410.07959	2.9
411.08801	6.0
412.09140	1.3
413.10437	1.0
419.09378	1.0
421.07291	1.9
423.08759	4.3
425.10611	1.3
433.07172	1.5
434.08408	1.3
435.09103	1.3
437.06235	1.4
438.07401	1.0
439.08405	2.5
441.09857	1.6
447.08524	0.9
449.10550	0.8
451.08319	4.6
452.09030	1.7
453.09448	3.3
457.17545	0.9
461.06793	1.4
462.07224	1.1
463.08463	1.7
479.07736	3.4
480.08698	3.2
481.09180	6.6
482.10065	1.4
493.09552	2.1
503.33887	2.4
505.09451	0.8
508.71185	0.8
521.11957	1.0
533.12512	1.7
559.14014	2.8
585.11853	2.0
597.11542	0.9
603.12756	6.9
604.13214	1.4
615.12836	2.2
616.12732	0.9
707.15094	1.4
725.16687	100.0
726.17035	27.5
756.68494	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	13.5
61.98831	63.6
67.90575	6.1
78.95915	11.9
81.96944	6.7
83.05025	7.0
88.98814	9.0
96.96005	8.7
108.02163	9.2
116.92910	8.6
125.02480	18.4
137.02470	7.7
163.11404	7.3
169.01424	15.5
188.59628	6.8
205.05013	7.6
207.10312	12.5
209.11855	66.0
211.13391	100.0
227.12927	17.3
228.81635	6.7
319.78986	7.0
447.22559	18.2
503.33914	13.2
689.24414	29.0
690.23993	9.1
725.34631	24.9
726.36340	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	725.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51015	1.0
55.05632	0.8
57.03436	2.6
59.01365	1.4
65.00319	1.0
68.98695	9.0
69.03481	1.1
78.95911	2.2
80.87947	0.9
81.03438	5.1
83.01352	1.1
83.05032	1.6
85.02953	2.5
85.06596	3.5
87.04523	2.1
93.03495	1.4
95.01382	4.0
95.05020	3.1
99.08152	2.1
99.77058	1.0
100.07901	1.0
101.06074	1.5
109.06592	7.8
111.04514	11.1
111.08167	1.0
113.02444	5.7
113.09712	1.4
123.08177	9.0
125.02475	6.2
125.06105	6.9
125.09703	1.1
133.06494	1.3
135.08154	2.3
137.02438	2.1
137.05997	1.2
137.09651	1.1
138.03215	1.7
139.04016	2.0
139.07614	1.7
151.00412	1.9
151.07642	14.9
153.05594	1.8
155.07280	1.3
163.07686	1.1
165.05569	3.2
165.09221	30.9
166.06305	2.1
166.09514	1.4
167.07149	2.5
177.09230	1.1
179.07188	7.2
179.10788	3.6
181.08733	14.2
183.06630	15.9
191.07144	1.5
193.08661	1.8
193.12381	4.7
195.06635	47.0
196.06978	2.3
197.08176	2.7
205.05238	1.3
205.12335	1.4
207.06624	10.3
208.07233	1.5
209.08200	100.0
210.05417	1.2
210.08498	6.6
219.06628	2.1
219.13927	3.5
221.08205	4.8
222.08530	1.2
223.09750	3.4
225.07701	70.6
226.08009	5.5
235.13297	2.8
239.09270	18.1
240.09554	1.2
245.11667	1.5
249.11298	15.2
250.11748	1.2
263.12897	44.5
264.13217	4.2
265.10852	14.2
279.12378	62.0
280.12759	5.9
293.13950	11.6
317.13654	1.3
317.17395	2.0
333.16922	2.0
334.60464	1.0
377.98807	1.0
431.20761	12.3
432.66586	1.2
445.22333	40.9
446.22589	7.5
457.14920	3.2
474.09155	1.1
475.26874	1.1
485.25000	1.3
489.21274	12.0
490.21545	2.1
499.27078	3.6
543.25507	1.2
725.34845	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	725.3765
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26518	0.3
57.98490	0.3
59.01386	4.6
60.99312	16.4
61.98840	4.1
71.01373	1.6
72.99323	0.4
73.02949	0.7
83.01402	0.4
85.02969	0.4
87.00900	0.4
88.00418	0.4
88.98813	100.0
89.02444	2.9
89.99166	1.6
93.03454	0.4
96.96021	1.0
97.02908	0.4
101.02449	0.7
107.01412	0.9
108.02192	0.4
109.02881	0.4
111.00906	0.7
116.92883	0.6
121.48724	0.4
123.00939	0.6
123.04514	0.6
123.29053	0.4
125.02467	5.2
126.02763	0.5
137.02446	0.7
138.82089	0.4
139.04021	0.8
142.45262	0.4
143.03532	0.5
149.02448	0.5
151.03964	0.5
164.04840	0.4
165.05443	0.4
167.03493	0.6
168.00694	0.8
169.01447	6.3
170.01787	0.6
179.10886	0.5
185.06120	0.3
211.02519	0.5
223.09789	1.0
233.04640	0.5
288.81955	0.4
289.72327	0.4
313.05682	1.8
348.95270	0.4
357.09708	0.4
390.12430	0.6
409.30899	0.7
411.20474	0.4
421.31290	0.4
441.33801	0.9
465.06747	1.0
466.06671	0.4
477.41928	0.4
503.33929	10.0
504.34369	2.0
665.39063	0.7
689.17407	5.7
690.17682	1.9
725.24359	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.376
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.8
60.78157	0.2
60.99310	16.0
61.98832	1.1
71.01373	0.2
72.99308	0.3
75.00441	0.3
75.00875	4.8
84.01218	0.2
87.00872	0.4
88.00381	0.2
88.98810	100.0
89.02450	2.1
89.99155	1.2
94.64481	0.2
98.22565	0.4
103.00357	0.3
103.01508	0.9
116.92843	0.3
123.04482	0.2
145.28557	0.2
146.84242	0.2
270.95316	0.2
473.32245	0.3
503.33798	1.9
504.34296	0.3
513.21057	0.2
586.46423	0.2
719.48499	0.3
725.25610	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98619	0.4
55.31803	0.4
59.01378	6.0
60.99309	14.4
61.98836	7.0
69.07078	4.0
71.01379	1.8
72.99310	0.6
73.02956	1.6
83.01376	0.5
85.02967	0.7
87.00867	0.9
88.98814	100.0
89.02457	3.1
89.99149	1.2
92.91783	0.4
96.95983	0.8
97.02950	0.8
101.02464	1.0
106.83094	0.4
107.01398	0.8
108.02180	0.5
109.02988	0.7
111.00896	0.8
113.02476	0.7
116.92876	0.7
123.00912	1.2
123.04570	1.0
125.02464	9.1
126.02789	0.9
135.04524	0.6
135.30869	0.4
137.02452	0.7
139.04054	0.7
140.01201	0.5
149.02429	0.6
151.04001	0.5
161.02504	0.5
161.04597	0.5
164.04852	0.6
168.00734	0.8
169.01447	8.1
170.01749	1.2
171.01994	0.8
179.07115	0.8
179.10826	1.0
193.05048	0.4
195.06621	0.6
211.02405	0.6
223.09778	2.2
313.05573	2.1
343.11868	0.5
348.04495	0.4
361.30371	0.4
390.12415	1.0
390.62903	0.4
409.31293	0.5
441.33569	0.5
465.06775	1.4
473.33148	0.5
503.33911	27.6
504.34149	4.5
545.34344	0.6
665.38788	0.8
689.17322	7.4
690.17816	2.7
725.24500	3.8
725.36414	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3764
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87644	0.2
55.55484	0.2
59.01389	3.0
60.99313	17.6
61.98836	7.3
71.01393	1.4
72.99302	0.6
73.02957	0.7
75.00887	0.4
85.02957	0.8
87.00904	0.4
88.98816	100.0
89.02457	3.2
89.99159	1.1
96.96028	1.1
101.00357	0.3
101.02466	0.7
107.01383	0.5
108.02171	0.4
109.02983	0.7
111.00880	0.8
111.04534	0.4
112.98274	0.3
113.02449	0.7
116.92893	1.2
119.03506	0.3
123.00919	0.7
123.04532	0.4
125.02459	4.2
126.02769	0.3
134.03781	0.3
136.01666	0.3
137.02466	0.7
139.00340	0.3
149.02460	0.4
151.04031	0.4
151.07561	0.3
152.01205	0.6
153.05637	0.6
155.10684	0.2
161.02486	0.3
163.04065	0.3
167.03513	0.3
168.00656	0.5
169.01454	5.2
170.01784	0.6
171.10410	0.3
177.05537	0.4
179.05637	0.3
179.07207	0.4
179.10857	0.4
187.04135	0.3
193.05124	0.3
195.06702	1.1
201.11365	0.7
203.07140	0.3
205.05099	0.3
209.11858	0.3
211.02431	0.3
223.09769	0.9
253.86406	0.2
260.79651	0.3
289.07166	0.4
313.05624	1.3
315.67453	0.3
337.05063	0.3
357.13501	0.6
362.02008	0.3
367.10519	0.4
373.26080	0.8
406.07281	0.7
406.57629	0.4
407.07388	0.4
411.32877	0.6
427.32178	0.3
444.61102	0.3
459.34958	0.9
465.06937	0.7
501.32220	0.4
502.32941	0.5
503.33896	5.3
504.34100	0.9
689.17297	5.0
690.17566	1.9
725.26520	1.2
725.38336	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3915
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72623	1.3
61.98808	1.7
64.21617	1.3
67.02570	1.2
71.28622	1.8
71.65797	1.3
78.95910	5.1
85.06596	100.0
86.06944	2.1
87.04523	2.0
102.65720	1.4
109.06593	3.1
111.04543	12.3
113.02415	1.4
113.09746	6.1
114.11763	1.4
123.08136	1.7
129.05608	3.9
130.63103	1.4
138.03220	1.5
139.03951	1.9
151.07686	3.0
152.99615	3.3
160.03845	1.3
165.09201	4.6
166.02696	2.5
171.10301	3.2
178.52158	1.4
181.08710	33.7
182.08997	2.4
183.06589	1.9
195.06677	7.5
196.06995	2.2
196.89565	3.4
207.06621	3.7
208.07407	5.8
209.08194	15.9
209.11864	2.3
210.08519	1.8
221.08136	2.1
223.09782	3.1
225.07790	3.1
239.09404	2.2
247.09756	2.5
255.23279	8.1
261.07620	2.3
263.12854	3.4
279.12427	3.3
299.86435	1.6
315.19678	1.8
325.86349	1.5
359.18674	29.0
360.19107	3.6
377.19684	20.2
378.20218	2.7
390.09097	1.6
413.23419	3.1
422.37228	1.3
431.24554	3.7
445.22321	2.2
475.27039	5.1
489.18719	2.7
489.25113	31.9
490.25024	5.8
543.29590	7.3
544.30042	2.7
725.39764	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	725.4121
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	39.7
60.01704	0.6
61.98814	0.6
69.96484	0.5
71.01376	1.1
74.41224	0.5
88.98798	1.6
89.02451	1.0
96.72335	0.5
98.21727	1.0
101.02451	1.4
113.02449	1.8
119.03511	1.2
161.04532	0.7
169.01491	0.6
183.00343	0.6
211.23265	0.5
228.73494	0.5
237.53346	0.6
503.33826	100.0
504.34152	17.5
517.35480	0.7
545.34955	3.8
659.17120	0.6
665.38348	1.4
725.26135	1.3
725.41205	3.4
726.41608	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	32.1
60.01716	0.3
61.98808	0.5
68.25111	0.3
71.01371	1.2
71.29697	0.3
73.02921	0.3
75.00864	0.3
78.95882	0.3
85.02953	0.7
85.48840	0.2
89.02483	0.4
95.01399	0.3
101.02444	1.2
109.46210	0.3
113.02473	0.8
119.03495	0.5
135.04538	0.3
161.02490	0.2
161.04610	0.6
175.00264	0.3
190.02670	0.4
205.05107	0.3
366.09976	0.3
492.66315	0.3
503.33823	100.0
504.34146	20.5
517.35522	0.5
545.34674	1.5
665.38873	1.4
725.41266	5.4
726.41748	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.6
58.00583	1.0
59.01382	52.9
60.01730	0.5
61.98837	3.6
69.46284	2.7
70.42044	0.4
71.01386	16.4
72.54100	0.4
72.99309	1.9
73.02940	1.5
83.01401	0.7
85.02954	2.7
87.00898	1.3
89.02450	22.5
92.47810	0.5
95.01392	1.4
96.96037	0.5
97.02956	1.8
98.22558	0.5
101.02446	8.2
111.00915	0.8
113.02457	6.2
116.73852	0.5
119.03508	9.3
121.42391	0.4
125.02453	2.1
127.57105	0.5
131.03496	1.2
143.03471	2.7
149.04552	1.2
151.04036	0.9
152.01167	0.7
161.02538	0.5
161.04579	2.4
161.48293	0.5
169.01405	1.6
171.10318	1.3
179.05632	10.3
182.48210	0.5
211.13354	0.6
221.75966	0.4
327.21738	6.5
415.14734	1.3
443.31909	0.6
485.32697	2.4
486.33298	0.7
503.33890	100.0
504.34232	19.0
599.04401	0.6
725.23712	0.8
725.38519	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64373	0.3
59.01381	35.3
61.98818	0.5
71.01357	0.5
71.05019	0.5
85.20953	0.3
92.95825	0.3
97.00558	0.3
98.21764	0.6
101.02435	0.8
105.33470	0.4
105.34960	0.4
109.02992	0.5
124.34953	0.3
125.02414	0.4
137.02469	0.4
161.04617	0.4
214.03195	0.3
382.65469	0.4
409.31525	0.7
421.31015	0.6
443.31604	0.7
453.30106	3.0
459.34595	0.5
471.30991	0.4
485.32773	9.3
486.33182	1.5
503.33817	100.0
504.34134	21.5
545.34833	0.9
615.12982	1.0
665.39191	0.9
725.16589	1.0
725.40948	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3719
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32497	0.2
57.65894	0.2
59.01390	0.9
60.29166	0.2
60.99325	0.2
61.98835	100.0
62.98548	0.2
65.20003	0.2
69.38191	1.1
71.01390	0.6
71.05025	0.2
71.11210	0.2
72.99352	0.2
73.02948	0.3
75.00886	0.2
75.81598	0.2
80.54919	0.2
82.95436	0.3
83.05048	0.2
85.02966	0.2
88.98811	1.1
89.02471	0.5
95.01376	0.2
96.96041	0.4
99.04548	0.2
101.02495	0.4
113.02471	0.3
116.92888	0.3
121.03019	0.5
123.04539	0.3
125.02502	0.3
135.04550	0.3
137.02510	0.2
161.02559	0.2
175.07747	0.2
179.03554	0.2
191.07201	0.3
192.07979	0.4
207.10368	0.8
208.10600	0.2
209.11906	0.9
225.11397	0.3
227.12941	0.4
253.10847	3.6
261.07584	0.2
314.11841	0.2
317.02689	0.2
329.14102	0.5
371.24503	0.2
473.18478	0.9
476.16583	0.2
491.19348	2.1
494.48840	0.2
503.34039	0.3
504.34500	0.7
505.35172	0.3
663.37878	0.4
666.39221	0.6
712.11914	0.2
726.37775	0.3
727.29395	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51092	1.1
61.98837	100.0
69.14378	3.0
69.14791	7.8
88.98814	4.9
125.09730	2.4
181.36301	1.3
248.69008	1.2
345.64426	1.3
385.30304	1.3
663.36078	1.9
714.52161	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00304	0.9
59.97842	0.9
66.10932	1.0
69.34317	5.8
76.42607	1.1
82.95407	1.3
95.57979	1.0
108.02202	1.6
109.02952	14.7
121.02985	1.4
123.04559	1.4
125.02471	6.5
133.03024	1.2
137.02435	1.1
141.63939	0.8
159.04558	1.9
173.06161	1.2
195.06612	1.1
197.06064	1.6
201.05583	1.4
211.04056	4.2
212.04712	1.7
213.05493	1.9
221.06114	2.5
225.05524	1.7
227.03580	1.6
228.04195	1.5
229.05064	27.8
230.05457	2.4
240.04283	3.9
241.05081	5.6
243.06641	2.2
250.27882	0.9
251.03593	1.1
253.05075	3.4
264.04300	2.6
265.05045	17.0
266.05609	1.5
275.07303	1.2
277.05234	1.4
291.06467	2.3
299.07321	1.1
303.06696	1.9
304.07364	2.3
305.08041	1.8
315.06540	1.5
327.06805	1.5
331.06119	2.4
333.07858	1.0
341.08246	1.0
341.56467	1.1
343.06235	1.6
344.07114	1.0
345.07748	1.7
355.06122	2.7
356.06772	1.2
359.05624	2.1
360.06219	1.1
361.07407	1.9
372.06265	1.8
373.07132	5.2
374.07932	2.6
375.08649	1.4
385.07294	4.1
386.07498	1.7
387.08859	2.7
406.08072	1.2
411.08670	3.9
453.09946	1.8
465.09613	1.1
477.09677	1.4
495.10767	9.2
496.11435	1.2
507.11108	2.1
605.14752	8.2
606.14935	2.1
617.14563	8.3
618.14685	2.5
668.86975	1.1
727.18225	100.0
728.18567	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.182
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	4.5
69.68940	3.1
69.69331	1.5
77.23203	1.2
81.03476	1.5
107.05015	1.2
108.02185	4.0
109.02966	43.2
110.03276	1.8
121.02937	2.9
125.02477	2.2
127.36188	1.1
131.05060	1.2
133.02992	1.8
135.04529	6.1
137.02461	4.3
159.04530	9.4
161.02499	3.1
171.04518	1.2
172.05232	1.3
173.06078	3.1
175.07664	2.6
179.03549	1.5
183.04552	2.1
185.06015	1.6
190.02672	1.1
195.04523	1.2
196.05257	1.9
197.06088	3.3
199.04041	2.4
201.05632	7.4
209.06294	1.2
211.04012	6.7
213.05605	4.5
223.04102	2.7
224.04724	2.4
225.05598	3.0
227.03485	3.1
228.04080	1.7
229.05080	8.2
233.05919	1.1
237.05560	1.9
239.03432	3.5
240.04301	6.4
241.05060	19.3
242.05666	3.6
243.06616	37.8
244.07033	3.4
247.07513	1.5
248.04893	1.3
249.05519	2.9
251.03522	4.4
253.05013	4.4
254.05803	2.7
255.06560	3.2
259.07608	1.8
261.08917	1.3
262.06293	1.2
263.07074	1.7
264.04227	2.7
265.05112	5.8
266.05701	1.6
273.05521	1.1
275.07132	4.2
277.04968	2.5
278.05627	2.0
279.06604	1.9
287.07187	4.0
289.04987	1.3
290.05865	2.4
291.06604	7.0
292.07199	1.8
293.08261	1.9
295.06152	1.2
298.06512	1.2
299.07101	2.4
300.07956	1.2
301.04987	2.1
301.08447	1.4
303.06659	5.3
304.07401	3.8
305.08301	7.4
307.06271	1.4
307.09885	1.4
311.07047	1.3
312.99826	1.7
313.08865	1.6
314.00504	1.3
314.05789	1.4
315.06625	5.8
316.07037	1.4
317.04776	1.8
317.08298	3.2
319.06226	3.7
325.08588	1.5
327.06567	3.5
328.01917	1.6
329.02991	1.3
329.08282	4.5
331.06052	7.1
332.06619	2.5
333.07642	4.7
341.08237	1.7
343.05972	7.6
344.06766	2.6
345.07578	5.2
347.05707	1.7
348.06247	1.3
349.07462	1.7
355.06253	5.4
356.06900	2.2
357.07565	4.4
358.08466	1.4
359.05533	7.6
360.06528	3.6
361.07202	10.7
362.07797	3.6
372.06519	3.6
373.07071	18.9
374.08081	5.9
375.08838	5.9
379.09698	1.9
385.07147	4.1
393.07349	1.3
397.06885	1.9
399.08636	3.3
411.08612	2.5
413.10321	4.7
419.09323	1.6
423.08929	3.2
424.08939	1.3
436.09607	1.5
441.09912	1.9
447.08780	1.4
465.10074	3.3
477.10004	2.4
483.10892	100.0
484.11221	22.0
485.12152	2.2
495.11008	9.0
496.11276	2.1
507.10843	4.9
533.12256	1.5
599.13110	3.1
617.14569	67.7
618.14795	18.0
673.13922	1.3
727.18195	87.3
728.18555	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	727.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74013	0.6
55.28614	0.7
55.91664	0.5
59.01371	1.4
61.98832	5.3
68.98508	1.9
68.98930	2.8
96.96011	1.1
108.02179	1.6
109.02960	19.3
110.03289	0.6
121.02985	1.8
123.04533	0.9
125.02418	1.2
133.02921	0.7
134.03755	0.7
135.04517	4.2
137.02463	1.4
143.05003	0.9
157.06606	0.7
158.03835	0.6
159.04536	7.2
161.02429	3.5
169.06635	0.6
171.04500	1.6
172.05260	0.9
173.06039	1.8
175.03932	0.7
175.07629	1.9
179.03479	0.9
183.04497	1.7
185.06093	3.1
187.03946	0.9
195.04543	1.1
196.05290	1.4
197.06073	3.1
199.03989	2.9
199.07587	1.3
200.04649	0.9
201.05583	7.3
209.06087	0.5
211.03981	3.3
212.04791	2.2
213.05568	4.9
223.03932	1.0
224.04816	1.9
225.05580	4.7
226.06026	0.7
227.03415	1.5
228.04204	1.1
229.05054	9.5
230.05586	0.8
237.05539	1.1
239.03450	2.0
240.04214	4.7
241.05069	15.6
242.05737	2.9
243.06610	40.8
244.06911	3.4
247.07642	1.0
249.05457	1.0
251.03452	1.6
251.07246	1.0
252.04263	0.9
253.05052	5.4
254.05693	1.4
255.06593	1.8
261.05591	1.0
261.09015	0.7
262.06247	0.6
263.07156	1.3
264.04193	0.9
265.05063	4.4
266.05756	1.1
267.06662	1.2
271.07745	0.8
275.07144	2.1
277.04999	1.5
277.08661	0.9
278.05627	1.5
279.06534	2.8
286.06104	0.6
287.07138	1.6
289.05313	1.2
289.08557	1.1
290.05792	1.5
291.06601	8.6
292.07211	1.7
293.08240	1.1
301.05173	0.8
301.08649	1.5
302.05658	0.7
303.06647	1.4
304.07275	0.6
305.08060	3.7
306.08466	0.7
307.09814	2.1
311.07129	0.7
313.08652	0.7
314.05676	1.0
315.06628	3.3
316.07425	1.6
317.04645	1.4
317.08090	1.4
319.06009	1.4
321.07550	1.2
325.62033	0.6
327.06583	1.6
329.04568	0.9
329.08188	2.0
331.06058	4.5
331.09763	1.7
332.06644	1.0
333.07651	4.6
334.08386	1.6
343.06119	4.0
344.06735	1.6
345.07684	1.9
347.05386	1.0
355.05957	1.7
356.06946	1.5
357.07773	3.9
358.08389	1.1
359.05597	8.0
360.06332	3.1
361.07132	11.1
362.07819	4.3
363.08704	2.2
373.07153	17.4
373.11905	0.9
374.07556	2.9
375.08740	17.6
376.09082	2.4
397.11029	0.7
401.10437	1.1
413.10284	1.7
414.11197	1.1
415.11932	1.3
465.09494	1.3
483.03775	1.3
483.10876	35.5
484.11249	9.1
485.12430	100.0
486.12805	20.1
547.22229	1.2
617.14471	0.8
727.17853	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97638	0.8
56.66882	0.7
59.01376	1.0
61.98845	3.9
64.44604	0.8
69.95147	1.6
69.95546	1.4
82.95431	1.0
93.03469	2.7
96.96021	1.4
97.42498	0.7
108.02167	1.1
109.02969	16.7
109.03718	1.1
116.92907	0.9
117.80092	0.7
121.02964	6.5
123.04530	1.5
125.02464	2.3
135.04533	4.8
137.02449	5.7
140.11365	0.7
147.04541	0.8
149.02473	1.1
159.04535	5.6
161.02495	1.9
161.06104	1.9
167.05037	1.2
171.04582	2.1
173.06100	3.6
177.05751	0.8
183.04524	2.0
184.05321	1.3
185.06104	2.9
187.04041	1.6
189.05623	1.9
196.05261	1.2
197.06100	3.2
198.03072	0.8
199.04097	3.0
200.04663	1.0
201.05646	3.4
207.06677	0.9
209.06078	1.6
211.04036	6.8
211.95680	0.9
212.04875	2.2
213.03873	0.9
213.05545	5.2
215.03546	1.4
216.03932	0.9
221.06081	1.4
223.04083	1.4
224.04811	2.2
225.05614	3.3
227.03485	4.2
227.07143	0.9
228.04303	3.2
229.05064	19.6
230.05466	1.7
233.06213	1.1
237.05598	1.5
238.06587	0.8
238.93019	1.0
239.03416	1.1
239.07159	0.8
240.04359	5.7
241.05077	25.9
242.05573	2.3
243.06679	2.9
243.71614	0.8
249.05659	1.6
251.07191	1.4
252.04369	1.4
253.05064	7.2
254.05998	1.8
255.06592	2.5
261.05765	1.3
263.07129	1.0
265.05112	4.8
266.05661	1.2
267.06577	5.7
267.75739	0.9
268.07224	1.3
275.07126	1.7
277.05212	1.5
279.06665	2.6
281.08194	1.5
283.09824	1.1
287.07056	1.1
289.05106	0.8
289.08627	1.3
291.06766	4.0
292.07394	1.3
293.04614	1.8
293.08096	0.8
299.06995	1.2
300.99954	1.3
303.06705	1.0
304.07498	1.5
305.08304	3.3
307.09882	2.5
309.07745	1.8
315.06613	1.9
317.04474	0.8
319.06119	1.0
323.09195	0.9
328.07425	0.8
329.08160	1.7
329.23282	2.5
331.06354	2.3
333.07584	4.9
343.06097	1.8
344.06677	1.0
345.03421	0.8
345.07501	1.6
351.08755	21.5
352.09219	2.2
357.07809	2.6
358.08566	1.1
359.05597	2.9
361.07190	1.5
362.08029	0.9
363.08734	2.0
373.07236	2.4
375.08795	14.7
376.09332	1.6
396.97256	0.8
414.11166	1.0
483.10559	4.0
485.12531	0.9
504.34473	1.0
505.34286	1.0
605.14136	3.6
617.14594	5.5
727.18195	100.0
728.18573	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	727.184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.8
61.98825	10.6
69.21407	11.4
96.96016	16.4
107.21023	2.2
108.02173	4.8
109.02959	43.2
121.02937	4.1
123.04483	4.2
125.02470	36.7
133.02943	3.0
135.04535	7.1
137.02475	6.9
139.04057	3.9
151.03992	3.1
159.04620	3.6
161.02475	9.7
167.03519	4.0
169.01384	4.6
175.03961	4.7
177.02010	4.6
179.03415	2.3
185.06081	3.4
187.96700	2.2
197.06165	2.8
211.03987	4.7
226.89558	2.2
227.03415	3.3
228.04425	2.4
229.05089	14.5
230.05351	2.7
240.04195	3.0
241.05099	8.1
253.05020	7.5
255.02994	2.9
265.05011	3.2
271.05872	3.1
289.07288	8.2
299.99078	2.7
300.99786	5.5
315.06610	6.0
317.08243	8.0
329.08224	4.3
341.08377	4.7
343.06146	4.7
355.06381	2.8
357.07709	5.7
367.06107	3.7
373.07135	3.3
383.05734	3.7
385.07114	26.1
386.07825	7.8
397.07135	9.2
398.07712	3.7
407.07465	11.4
423.08472	3.3
437.10522	4.0
495.10901	6.8
496.11411	2.8
507.10684	36.3
508.11188	7.1
513.71973	2.5
575.11963	3.3
607.31409	2.5
617.14551	61.9
617.23975	4.7
618.14996	17.4
727.18164	100.0
728.18414	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	727.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.9
58.00591	1.3
59.01091	1.5
59.01382	31.0
61.98836	4.9
69.15643	4.8
69.16045	1.7
71.01383	17.3
72.99297	1.7
73.02956	5.9
75.00877	2.3
81.03461	1.8
83.01392	2.2
85.02946	5.8
89.02451	6.7
93.03486	0.8
95.01405	2.8
95.05040	0.9
97.86655	0.8
101.02448	7.5
107.05067	0.9
108.02180	55.5
109.02981	32.3
109.03723	1.9
109.80670	0.9
110.03254	2.1
113.02442	4.2
119.03491	0.9
120.59097	0.8
121.02987	1.4
123.00858	1.4
123.04541	1.4
125.02417	0.9
135.04539	0.8
137.02470	0.8
151.04039	1.5
152.01169	68.9
153.01956	25.3
161.04594	1.5
161.13400	2.0
163.04079	0.9
165.01949	1.8
187.11365	2.1
205.12436	1.4
248.57594	0.9
278.20065	0.8
289.07318	1.0
315.07230	19.6
316.07590	1.6
442.40231	0.8
503.19199	8.8
503.33853	1.9
504.19504	1.1
504.34695	4.4
505.35153	66.3
506.36600	9.2
547.18304	9.4
547.32593	2.2
548.18335	2.0
565.19531	2.7
727.24567	100.0
728.24866	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07369	0.5
59.01128	0.7
59.01386	7.5
60.01708	0.5
61.98835	42.3
67.68278	0.7
69.11591	3.6
69.12005	1.0
71.01382	2.8
73.02953	0.9
85.02950	1.2
87.00861	1.0
88.98818	1.6
89.02451	1.5
93.03432	0.5
95.01459	0.6
96.44331	0.5
96.95984	0.9
99.00903	0.6
99.48278	0.5
101.02453	1.6
105.03465	1.6
108.02190	1.4
109.02959	1.2
111.00864	0.6
113.02441	1.4
116.92848	0.9
117.03492	1.4
121.02972	1.6
123.04504	0.9
125.02463	1.3
132.02191	1.4
133.02969	31.4
134.03795	3.9
134.24350	0.5
135.04541	19.5
136.04953	0.7
137.02432	2.9
138.06923	0.6
139.04013	1.6
148.05124	0.6
149.02461	3.1
149.06128	1.6
150.03203	0.5
152.01193	0.7
153.01924	0.6
153.09135	1.2
160.01656	1.9
161.02454	100.0
162.02792	6.3
163.04083	0.5
164.04816	6.0
169.01456	1.0
177.01973	0.8
177.05534	3.0
178.02744	2.8
179.01866	0.7
179.03502	15.4
179.07091	1.6
189.05658	0.8
193.05090	0.7
205.05063	0.9
205.12309	1.3
209.11790	0.9
221.04550	4.2
223.06238	0.8
271.02817	0.9
281.06732	1.1
301.03287	0.5
329.06607	0.9
341.10229	1.4
461.14465	1.2
503.33884	2.2
504.34210	4.5
505.34674	7.1
529.21021	1.5
530.20404	0.7
546.20880	3.9
547.21893	62.4
548.14227	0.4
548.22217	11.8
643.52466	0.6
667.41467	0.6
727.29651	21.2
728.30182	8.0
738.05408	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07369	0.5
59.01128	0.7
59.01386	7.5
60.01708	0.5
61.98835	42.3
67.68278	0.7
69.11591	3.6
69.12005	1.0
71.01382	2.8
73.02953	0.9
85.02950	1.2
87.00861	1.0
88.98818	1.6
89.02451	1.5
93.03432	0.5
95.01459	0.6
96.44331	0.5
96.95984	0.9
99.00903	0.6
99.48278	0.5
101.02453	1.6
105.03465	1.6
108.02190	1.4
109.02959	1.2
111.00864	0.6
113.02441	1.4
116.92848	0.9
117.03492	1.4
121.02972	1.6
123.04504	0.9
125.02463	1.3
132.02191	1.4
133.02969	31.4
134.03795	3.9
134.24350	0.5
135.04541	19.5
136.04953	0.7
137.02432	2.9
138.06923	0.6
139.04013	1.6
148.05124	0.6
149.02461	3.1
149.06128	1.6
150.03203	0.5
152.01193	0.7
153.01924	0.6
153.09135	1.2
160.01656	1.9
161.02454	100.0
162.02792	6.3
163.04083	0.5
164.04816	6.0
169.01456	1.0
177.01973	0.8
177.05534	3.0
178.02744	2.8
179.01866	0.7
179.03502	15.4
179.07091	1.6
189.05658	0.8
193.05090	0.7
205.05063	0.9
205.12309	1.3
209.11790	0.9
221.04550	4.2
223.06238	0.8
271.02817	0.9
281.06732	1.1
301.03287	0.5
329.06607	0.9
341.10229	1.4
461.14465	1.2
503.33884	2.2
504.34210	4.5
505.34674	7.1
529.21021	1.5
530.20404	0.7
546.20880	3.9
547.21893	62.4
548.14227	0.4
548.22217	11.8
643.52466	0.6
667.41467	0.6
727.29651	21.2
728.30182	8.0
738.05408	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3913
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00584	0.9
58.76225	0.4
59.01386	3.2
59.03756	0.3
60.92566	0.3
69.32590	2.3
71.01373	0.6
73.02941	3.2
74.47967	0.4
77.68198	0.3
82.53533	0.4
85.02937	0.4
92.25098	0.4
99.45947	0.4
101.02464	0.4
152.92970	0.4
164.04773	0.6
271.32455	0.5
369.27930	0.7
381.28101	0.7
398.85434	0.5
399.28970	1.6
411.29169	0.6
431.31955	0.6
453.30197	0.5
505.31726	100.0
506.32077	21.0
506.39828	0.7
519.33362	3.1
520.33630	0.6
547.32831	6.7
548.33209	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	727.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.8
57.01678	0.6
57.89825	0.6
58.00603	0.8
59.01092	1.0
59.01384	19.3
61.98836	4.2
64.70449	0.6
71.01380	6.8
73.02950	8.6
80.21140	0.6
85.02955	3.0
87.13602	0.6
88.98820	0.7
89.02445	3.0
95.01405	1.5
101.02457	3.8
104.64202	0.6
108.02179	20.0
109.02975	12.9
111.00864	0.6
113.02460	2.0
115.91933	0.6
118.09133	0.6
119.03526	0.7
121.02960	1.2
123.00903	0.5
123.04524	0.8
125.02467	0.8
127.10471	0.6
151.04070	0.9
152.01160	25.8
153.01964	8.9
161.04524	0.6
163.04065	0.7
187.11273	1.2
315.07202	6.6
316.07571	0.9
431.31308	1.2
445.33301	0.8
461.32690	0.7
503.19244	3.4
505.35202	100.0
506.35553	20.9
519.33160	1.4
547.18256	4.1
547.31824	3.8
565.18695	1.0
667.40234	1.0
688.31354	0.7
727.24640	31.9
728.24817	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	727.428
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00598	0.4
59.01094	0.5
59.01382	9.1
61.62507	0.3
61.98828	2.4
68.98033	0.3
69.39665	1.3
69.40104	0.4
71.01396	1.7
73.02948	4.2
75.00873	3.3
76.99371	0.3
87.35918	0.3
88.98825	0.6
89.02452	1.3
96.11375	0.3
96.96006	0.4
101.02460	0.7
109.02955	0.3
109.44189	0.3
111.00812	0.4
113.02464	0.6
119.03474	0.7
119.88227	0.3
133.02974	0.3
161.04570	0.3
168.40179	0.3
175.00302	0.3
190.02721	0.3
193.08859	0.3
201.80052	0.3
205.05067	0.6
223.06244	0.4
229.69905	0.3
286.59717	0.3
329.13416	0.3
329.58856	0.3
339.27084	0.5
355.30057	0.8
385.30914	0.4
390.99008	0.3
415.32263	0.5
431.31805	0.4
445.33240	0.8
487.34167	0.3
489.32339	0.5
505.35370	100.0
506.35657	21.1
519.36652	0.4
547.36670	0.6
548.36511	0.4
667.40149	0.8
727.42181	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92987	0.3
61.98835	100.0
69.08592	0.9
69.09003	1.4
79.11816	0.3
89.16385	0.3
107.60622	0.4
133.02975	2.1
134.03755	1.0
135.04570	1.5
137.02438	1.8
137.13802	0.3
141.73056	0.3
151.04103	0.3
161.02452	5.9
167.78294	0.3
176.60786	0.3
178.02676	0.9
179.03575	1.1
205.22177	0.3
223.13495	0.3
238.97601	0.3
333.11743	0.3
355.19226	1.6
369.17429	1.2
371.18817	0.4
385.20255	3.1
386.20892	0.8
412.33270	0.3
416.18484	0.3
418.20212	0.8
587.37762	0.6
631.36993	0.7
665.36908	11.9
666.37482	3.4
758.34668	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	728.3868
Annotation	Unknow
Peak:m/z	Relative Intensity
57.94217	0.1
59.01382	2.7
60.01735	0.2
60.03613	0.1
61.01811	0.2
61.98834	100.0
68.40685	0.1
69.16420	1.0
71.01403	0.2
79.95739	0.2
80.91688	0.1
88.98830	0.2
96.96016	3.2
101.02491	0.3
126.93072	0.2
137.02512	0.2
139.58318	0.2
161.02513	0.2
164.04802	0.3
265.97217	0.1
423.67056	0.2
503.33789	0.7
504.34216	2.5
505.34488	3.1
506.34763	4.2
507.34918	0.2
548.36255	0.2
668.40295	0.2
728.41418	0.5
729.42230	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.387
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51876	0.2
59.01123	0.2
59.01370	1.0
61.98834	100.0
68.65768	0.2
69.51594	0.6
76.56187	0.2
89.02496	0.2
101.02482	0.3
109.02991	0.7
116.92876	0.3
119.03545	0.2
123.04552	0.3
125.02454	0.9
128.30922	0.2
137.02489	0.3
151.03917	0.2
161.02556	0.2
169.01433	0.6
175.34628	0.2
195.87886	0.2
201.05496	0.2
211.29869	0.2
229.05063	0.4
241.05176	0.3
242.05643	0.3
243.06706	0.6
244.07059	0.3
253.05235	0.2
303.05963	0.2
318.07947	0.2
332.81805	0.2
359.05646	0.2
374.08109	0.2
376.08826	0.2
484.11197	0.3
485.12268	0.3
504.34372	0.7
505.34854	0.7
506.34641	1.4
618.14801	0.3
685.30231	0.2
728.18646	2.1
729.19086	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.3874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.4
60.01726	0.2
61.98834	100.0
62.98543	0.2
66.70986	0.1
68.42030	0.1
71.01392	0.2
73.02953	0.3
85.02937	0.2
88.98817	0.2
89.02460	0.2
96.96001	1.0
98.22519	0.4
101.02465	0.2
101.60500	0.1
104.95047	0.1
109.02966	0.1
116.13753	0.1
123.00860	0.2
123.04556	0.2
135.04489	0.2
136.53065	0.1
137.08714	0.1
149.02556	0.2
153.01898	0.2
161.02499	0.2
169.01460	0.2
175.04056	0.2
183.22525	0.1
193.05127	0.2
209.11766	0.3
227.12608	0.1
317.06918	0.1
321.74081	0.2
503.34500	0.2
504.34085	1.0
505.34604	1.5
506.34982	2.4
536.28552	0.2
729.25397	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11384	0.7
57.03453	9.9
69.09152	1.4
69.09557	4.2
69.69086	0.7
80.74178	0.6
81.03455	1.7
83.01405	4.3
83.45067	0.7
93.03477	1.6
95.01403	1.0
96.96023	2.3
97.02959	2.9
105.03507	1.0
108.02195	1.2
109.02967	13.2
121.02998	2.5
123.00917	1.6
123.04525	11.0
125.02460	100.0
126.02784	3.5
133.02985	3.2
135.04529	2.0
137.02457	14.4
139.04010	1.6
145.02995	2.2
149.02498	4.0
150.03270	1.3
151.04022	9.5
157.06641	0.8
159.04558	4.0
161.02449	21.3
161.06088	2.7
162.03186	1.7
163.00409	2.2
163.04030	4.2
164.01175	4.9
165.01865	3.6
167.03535	1.6
169.00000	1.3
169.01440	26.6
170.01814	1.4
175.04013	5.6
177.01996	4.2
177.05573	1.1
179.03561	2.6
183.04591	1.4
185.06149	1.7
187.04007	5.8
188.04707	1.5
189.01993	1.1
189.05591	0.8
194.75537	0.8
197.06186	1.1
199.04007	2.2
201.05623	3.0
203.03470	1.2
203.07155	6.1
204.04359	0.9
205.01410	1.1
205.05052	4.7
211.04057	0.9
212.04776	1.1
213.05602	1.6
215.03525	1.2
217.05051	2.7
221.08192	1.5
225.05592	2.4
227.03531	3.0
227.07001	0.9
229.05078	2.5
230.05649	0.9
231.03027	2.6
239.03358	0.9
241.05139	1.6
243.03075	2.5
243.06639	1.6
245.04536	6.9
245.08202	8.6
247.06430	0.8
255.03081	5.4
255.06628	0.9
256.03665	2.1
257.04587	2.7
267.03113	1.0
269.04544	18.0
270.05023	1.7
271.06146	2.7
272.06470	0.8
273.04129	2.8
281.01807	0.9
281.04404	4.6
283.02548	1.4
283.06012	1.3
285.04156	2.3
287.05679	17.4
288.05975	1.2
289.07224	26.7
290.07568	2.2
299.05582	4.7
303.05200	2.9
313.03473	2.0
339.08859	1.7
363.09113	1.1
407.07751	36.1
408.08041	4.7
409.09033	1.0
419.07843	1.6
425.08871	15.4
426.09232	1.4
431.07504	0.8
433.09280	8.8
434.09619	1.2
437.08893	3.4
439.06915	2.3
449.08768	5.4
451.10397	9.3
509.91824	0.7
515.13519	1.1
541.11584	2.8
559.12555	12.6
559.20795	1.1
560.13068	3.1
577.13574	24.0
578.13947	5.2
603.11560	1.1
728.30109	0.8
729.14594	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	729.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	11.2
62.19665	0.8
63.38495	1.0
65.85090	0.9
66.09470	0.8
69.23943	6.7
81.03434	1.4
83.01368	3.7
89.89671	1.1
91.32628	1.1
93.03449	1.1
95.01376	1.3
95.04987	1.1
97.02969	2.2
109.02956	12.4
109.69151	0.9
117.03452	1.4
119.03655	0.9
121.02948	3.4
122.03735	1.3
123.04539	9.3
125.02448	100.0
126.02768	3.2
131.05057	1.5
133.02933	4.6
135.04518	3.6
137.02446	18.2
139.04018	2.8
145.02946	4.4
145.38512	1.0
146.03804	1.1
149.02457	4.1
151.04001	11.7
159.04524	4.1
161.02438	22.0
161.06067	3.8
162.03139	1.7
163.00391	1.5
163.03984	2.5
164.01147	2.5
164.81274	1.0
165.01930	4.4
169.01416	23.5
170.01743	1.2
171.04485	1.2
173.05975	1.3
175.04037	8.1
177.01949	8.2
179.03476	3.8
183.04427	1.2
184.05247	1.2
185.06050	2.8
187.04013	5.7
187.05548	1.1
188.04703	1.9
193.01408	2.9
199.03990	1.6
201.05511	2.6
203.03563	1.4
203.07086	7.0
205.01390	2.6
205.04965	5.2
209.06104	1.3
211.03934	2.3
213.05450	1.9
217.04965	2.5
221.08095	1.9
225.05556	2.0
227.03481	2.6
227.07140	1.6
229.04988	2.0
243.02979	7.8
245.04620	5.9
245.08203	9.9
253.05139	2.1
255.02966	10.4
256.03702	5.4
257.04465	3.3
258.73926	1.2
269.04449	3.4
271.06116	12.2
272.06345	1.4
273.03989	2.5
281.04517	3.1
283.02527	2.9
285.03925	5.0
287.05585	10.6
289.07184	58.4
290.07520	5.1
297.04062	2.6
299.05603	3.2
303.05069	2.3
321.07693	1.2
339.08643	2.9
363.08725	1.6
381.09546	1.7
389.06509	5.1
407.07718	84.1
408.08014	10.8
425.08936	5.1
433.09238	4.7
434.09381	1.1
441.08261	12.7
451.10318	16.7
452.10577	1.9
559.10223	3.7
577.13794	11.8
578.13916	2.7
603.11761	3.1
729.14447	3.6
730.15497	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44786	0.4
56.27914	0.4
59.01381	3.6
61.98837	2.9
67.57961	0.4
70.58256	0.8
71.01402	0.7
73.02954	1.2
76.99506	0.4
78.91912	0.7
83.01424	1.7
97.03001	0.6
101.02408	0.9
106.91087	0.4
109.02983	0.6
110.25813	0.5
123.04540	0.5
125.02500	0.6
133.79695	0.5
137.09753	0.8
160.36848	0.5
161.09726	0.5
163.07646	1.8
165.09297	0.5
175.62828	0.4
179.10860	0.9
181.08717	3.4
195.10265	0.7
197.11783	1.7
214.76677	0.5
217.09985	0.5
221.11838	0.5
223.09705	3.4
225.62621	0.5
241.10805	3.3
247.09645	0.7
254.99496	1.0
257.01016	1.3
265.10822	1.5
269.01331	0.6
269.98044	8.1
270.98608	1.3
283.11932	1.1
285.00409	11.9
286.01025	0.7
297.00409	0.6
297.97552	36.4
298.98022	4.3
299.01501	0.7
307.12027	0.8
312.99930	62.4
314.00464	10.2
315.01324	0.7
325.12854	1.5
327.01483	1.1
328.02258	66.0
329.02835	13.4
330.03220	0.6
343.04599	100.0
344.01062	1.0
344.04944	9.5
383.17770	0.9
385.15033	6.4
440.75488	0.5
664.23596	0.5
711.18304	0.5
729.20343	9.7
730.20660	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95268	0.3
57.03442	0.6
69.20322	1.8
79.95740	1.3
83.05027	1.2
86.97717	0.3
87.00863	0.3
95.05018	2.3
96.96017	49.8
98.03748	0.9
105.41389	0.2
109.06593	1.8
109.59271	0.3
111.00906	0.5
111.04527	0.9
113.02459	0.3
113.06113	2.1
125.02462	1.1
127.07643	0.3
128.35918	0.3
135.08174	0.3
135.11781	0.3
137.09731	1.4
138.06853	0.3
139.07658	2.9
141.00662	0.2
145.10292	0.3
147.36667	0.2
153.09193	1.9
155.10791	18.3
156.11128	0.7
167.10645	0.3
183.50294	0.3
187.14934	0.4
199.09778	0.6
203.14427	0.9
205.15981	8.0
206.16406	0.8
223.17033	1.7
229.01392	0.3
249.15033	0.4
267.16031	14.9
268.16519	1.5
289.07053	0.3
300.99771	0.4
303.12854	0.6
329.10706	1.0
347.11703	100.0
348.12045	10.0
353.83621	0.2
382.25940	0.3
412.93329	0.3
436.17569	0.3
507.18726	0.7
625.88593	0.3
641.98724	0.3
756.19403	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22442	0.5
57.03453	4.9
58.10616	0.4
59.01369	0.9
60.25448	0.4
66.41433	0.4
69.03458	1.0
69.09224	1.6
69.09657	2.0
71.01355	0.9
73.02934	0.6
81.03475	2.7
83.01387	4.1
85.02966	0.6
89.02497	0.4
89.03958	0.5
93.03460	1.8
95.01360	1.2
95.05044	3.8
97.02956	7.6
98.09705	0.4
107.04970	0.6
108.02180	0.6
109.02959	26.8
110.03282	1.0
121.02975	3.4
123.00868	1.0
123.04532	17.5
124.04884	0.5
125.02455	36.8
126.02770	1.3
131.04929	0.6
133.02974	0.9
135.04559	2.3
137.02449	12.4
138.03249	0.5
139.03999	3.7
145.02945	2.4
146.03729	1.7
149.02449	3.9
149.05949	0.5
150.03236	2.1
151.04024	10.8
152.04341	1.0
159.04529	3.4
160.05296	1.2
161.02460	6.6
161.06087	5.5
162.03188	1.6
163.04028	2.2
164.01154	3.1
165.01935	5.3
166.02551	0.5
167.03537	2.6
169.01447	5.8
173.06024	1.3
174.03246	0.9
174.06725	0.4
175.04037	4.2
175.07634	2.1
177.01961	1.8
177.05612	0.9
179.03505	6.5
180.03813	0.6
185.06078	1.3
187.04008	5.3
188.04753	4.5
189.01848	0.6
193.01440	0.8
199.07680	1.4
201.05551	1.3
202.06354	1.8
203.03549	0.8
203.07130	13.3
204.07468	1.3
205.01494	0.5
205.05048	8.1
211.04138	0.5
212.04745	0.8
213.92862	0.5
217.05147	0.8
221.08197	3.4
227.03311	0.6
227.07179	2.2
229.05066	1.1
230.05794	0.9
231.02910	1.1
243.03015	1.2
245.04439	1.4
245.08183	17.6
246.08598	1.7
247.06126	1.2
255.03001	1.6
256.03735	0.8
257.04617	0.8
262.80368	0.5
269.04562	2.7
271.06094	2.0
273.04086	0.7
281.04535	0.8
285.04065	1.2
287.05597	2.9
289.07193	100.0
290.07498	9.3
299.05728	0.6
301.00009	0.6
303.05096	0.7
310.05176	0.5
339.08911	0.6
345.91928	0.5
389.07098	0.6
407.07755	11.0
408.08087	2.1
425.08661	2.6
433.09195	1.0
437.08893	0.6
439.21869	2.4
441.08359	0.8
449.08484	0.8
451.10422	2.2
452.11377	0.7
559.12384	1.6
567.20801	0.5
577.13843	4.1
578.14044	0.9
729.13782	0.8
730.15186	0.8
757.97125	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.7
57.03448	0.8
59.01388	5.4
61.98821	1.3
69.28444	3.6
71.01387	8.4
72.99299	1.0
73.02946	2.1
83.01386	1.6
85.02965	5.4
87.04510	0.8
89.02454	2.7
93.03481	1.3
95.01399	1.9
95.82745	0.5
101.02458	4.3
108.02184	62.1
109.02974	31.0
110.03293	2.2
113.02463	3.0
121.02924	1.0
123.00921	1.6
123.04564	0.8
125.02489	0.9
135.04565	0.7
151.04019	1.9
152.01163	64.6
153.01959	18.5
156.35924	0.6
163.04051	1.3
165.01921	1.4
197.89902	0.6
252.50749	0.6
315.07205	6.7
431.22714	0.6
549.23407	0.9
552.25519	0.7
729.29816	100.0
730.30115	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	729.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98851	1.3
78.95920	0.9
79.95749	3.6
81.05553	0.3
94.98073	0.6
96.96021	100.0
97.95940	0.4
99.92578	0.4
113.92636	0.3
116.92844	0.3
125.09720	0.4
126.35909	0.3
133.02988	0.8
161.02472	1.8
216.98116	0.3
301.26587	0.3
438.04141	0.3
450.19592	0.3
457.31799	0.3
587.37213	0.8
631.36469	2.4
632.36487	0.5
657.45538	0.6
693.97791	0.3
729.27972	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	42.4
69.23238	100.0
72.00154	15.1
107.99894	16.0
110.40877	15.7
126.83551	16.6
148.35223	14.9
162.49620	18.0
169.05103	22.5
181.08714	56.3
195.06628	25.8
197.11853	64.0
209.08194	24.6
263.13043	21.0
277.21747	20.5
439.86084	19.1
441.57263	18.1
493.24548	36.6
520.18622	16.9
531.30786	15.7
587.20135	18.8
614.98004	15.1
709.41962	15.3
720.90918	16.8
729.40070	54.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	21.5
61.98832	14.0
69.37959	2.2
69.38358	1.3
71.01392	1.1
76.79874	0.6
78.74371	0.6
78.91876	1.0
82.95418	1.1
83.85458	0.7
87.48651	0.6
88.98779	0.7
96.96023	0.6
101.02476	0.7
109.02919	0.8
116.92854	1.1
123.04554	0.9
125.02436	1.4
128.96367	0.7
137.02444	0.8
151.03975	1.4
165.01828	0.7
169.01428	0.8
171.10260	1.1
180.04294	1.6
183.10222	1.4
195.06627	1.2
197.11824	0.7
209.11839	2.2
211.13289	1.1
254.99342	1.2
257.00876	0.8
260.18515	0.6
269.98074	7.3
270.99072	0.6
285.00446	10.2
286.00775	1.0
297.97559	29.9
298.00919	1.4
298.98050	3.4
312.99915	55.4
314.00293	6.7
328.02240	64.3
329.02759	10.0
341.03085	1.2
343.04587	100.0
344.04944	10.9
353.03220	1.4
416.75644	0.6
419.94489	0.7
453.46667	0.7
474.26633	0.7
730.58490	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67178	0.6
59.01392	1.3
67.01891	1.6
68.99825	0.8
69.03445	1.9
71.01381	5.5
79.01900	1.1
83.01421	1.6
85.02971	1.2
87.00866	0.7
95.01405	2.5
97.02966	2.4
98.21812	1.9
101.02459	1.4
107.01395	16.1
109.02962	1.1
110.00107	1.0
111.00903	4.6
113.02466	1.4
114.78836	0.8
121.02998	1.1
123.00891	13.7
124.01668	3.4
125.02456	90.2
126.02789	3.4
127.00397	2.1
135.04549	0.7
136.98853	3.6
137.02446	1.5
138.03198	1.0
139.00377	7.6
139.04010	3.1
140.01190	7.5
141.01991	1.2
149.02440	0.9
150.03172	0.8
151.00381	10.4
151.04039	0.9
153.01932	1.1
163.04079	0.7
165.01970	1.4
165.05470	0.9
166.02731	8.6
166.99904	1.4
167.03465	2.1
168.00662	7.6
169.01439	91.0
170.01791	3.8
177.01942	0.9
179.03586	0.8
181.05067	7.6
182.05370	0.7
183.02979	10.0
211.02481	1.4
219.06686	0.8
221.08101	0.7
241.03580	1.9
253.03470	0.8
260.55780	0.8
297.06229	2.7
313.05667	20.2
314.05997	1.4
327.07349	4.0
373.13022	1.6
403.14041	2.2
552.22278	0.8
592.32751	0.8
731.21979	100.0
732.22321	28.5
750.23383	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	731.22
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.9
57.03455	1.0
59.01375	3.8
67.01871	1.3
69.03442	2.4
71.01389	7.1
72.99313	0.9
73.68285	0.9
79.01910	1.8
81.40235	1.0
83.01404	2.3
85.02968	1.6
89.02538	0.9
95.01390	2.9
96.96017	1.2
97.02951	3.1
101.02446	3.7
107.00745	1.4
107.01408	16.7
108.02237	2.1
109.02950	2.6
111.00893	7.3
113.02450	2.7
116.92886	1.5
121.02996	1.0
123.00892	12.7
123.04472	1.2
124.01643	2.2
125.02457	86.0
126.02779	3.3
127.00388	2.3
135.04536	1.1
136.98770	1.6
137.02451	3.9
139.00398	4.5
139.04007	3.3
140.01192	5.8
149.02472	1.6
150.03226	1.4
151.00388	8.3
151.04074	1.6
152.01164	1.4
153.01939	1.7
161.02435	1.2
163.03972	1.0
164.04947	1.1
165.01886	1.1
165.05681	1.3
166.02753	9.7
167.03539	3.3
168.00667	6.6
169.01439	82.5
170.01785	3.1
175.03958	1.3
177.01970	2.8
179.03577	1.1
181.05058	7.9
182.05426	1.5
183.02986	8.3
196.07445	1.7
211.02478	2.3
211.09731	3.1
241.03624	1.8
244.46811	0.9
297.06180	3.0
298.98349	1.2
300.99796	1.2
306.47952	0.9
313.05667	22.8
314.00668	1.2
314.05981	1.3
327.07245	4.7
329.03110	1.5
331.62772	1.0
373.15097	1.4
374.15485	3.1
375.15665	2.4
387.10825	1.8
388.11542	1.0
403.14172	2.4
465.10794	1.4
567.24512	1.6
568.25061	2.5
569.25226	6.4
701.20178	1.2
731.21924	100.0
732.22412	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	731.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94538	1.4
55.58414	1.4
59.01382	4.3
61.98830	4.4
70.23582	1.1
71.01402	2.4
71.04858	2.2
71.05222	1.4
73.02940	1.4
83.01398	3.8
88.88132	1.5
90.97455	1.2
96.96029	1.8
98.84385	1.4
101.02486	2.8
103.13688	1.4
125.02454	4.1
139.11310	3.4
159.04549	5.9
169.01411	3.1
183.10257	7.8
199.07661	2.5
201.05602	6.1
217.17769	1.2
218.14572	1.6
225.05801	1.9
225.11328	9.9
227.27895	1.4
243.06635	52.7
243.12221	8.6
244.06967	3.7
267.12375	1.4
269.98059	5.4
285.00406	10.0
285.13492	1.7
291.12634	2.5
297.97552	33.7
298.00964	2.1
298.97989	2.5
312.99924	60.0
314.00302	5.9
327.14450	3.5
328.02255	62.0
329.02551	7.1
343.04596	100.0
344.04980	11.7
385.13123	1.7
387.16672	7.4
636.66302	1.6
691.97937	1.6
731.24969	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	731.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16689	1.2
54.75946	1.3
55.01884	1.8
58.00596	1.6
59.01382	54.8
59.13036	1.6
61.98828	2.7
62.45852	1.3
67.88940	1.2
69.13808	9.5
71.01384	33.1
72.99303	2.7
83.01398	3.9
85.02947	8.7
87.00864	1.8
89.02460	23.4
89.02975	2.6
95.01390	2.0
96.96017	1.8
97.02949	3.0
99.04515	1.6
101.02437	13.5
107.05053	1.4
108.02122	1.3
109.02955	1.6
110.00139	1.3
113.02446	9.5
119.03544	7.1
123.00896	3.2
123.08177	1.3
125.02461	14.7
135.11803	3.3
137.02522	2.2
137.99626	1.6
139.00385	1.9
143.08684	1.4
150.03210	1.7
151.03993	1.7
153.01952	50.9
153.05565	1.4
154.02446	1.4
159.11790	1.8
161.04581	2.0
161.09718	9.9
165.05536	1.9
168.04294	51.7
169.01460	8.2
169.04663	4.2
175.11238	1.4
177.01981	2.0
179.05611	2.5
179.10773	14.2
179.12183	1.9
183.06622	44.6
184.06932	3.0
185.09692	1.8
197.04579	2.5
203.10812	4.2
203.48804	1.6
205.08614	2.0
221.11908	1.3
223.09761	8.8
229.08751	2.5
247.09740	5.1
265.10736	2.4
289.10696	1.7
307.12073	1.9
313.05780	3.8
323.14938	2.2
367.13937	4.9
551.21387	100.0
552.21698	18.6
731.28503	27.2
732.27307	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	731.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
60.63991	0.6
61.98825	3.2
70.05231	0.8
78.95888	1.7
80.03754	0.7
80.91689	8.8
96.96014	13.6
96.96978	1.2
99.92598	16.5
100.93365	2.3
115.26747	0.7
115.92088	100.0
116.92093	5.3
116.92863	2.5
118.83786	0.8
132.92369	0.8
133.03003	3.5
135.04555	0.7
161.02475	1.9
215.95111	0.9
261.95761	0.9
389.85760	0.8
585.35419	1.2
587.37103	0.8
606.18231	0.8
633.37714	2.0
669.28937	8.2
670.28833	3.0
703.25592	1.0
731.28833	37.8
731.41821	1.9
732.29376	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73541	1.7
61.98819	7.0
72.99303	2.2
73.30116	1.7
78.91875	2.8
79.95755	1.9
81.61617	1.8
82.65896	2.0
82.95412	1.9
83.69205	1.8
96.96021	63.8
97.95979	2.0
98.94958	3.2
98.95596	27.8
98.96414	5.6
99.92591	59.2
100.90460	3.0
100.92621	2.1
100.93351	3.0
115.92088	77.3
116.92104	4.1
116.92863	4.4
118.11311	2.0
133.02979	14.4
135.04562	2.2
137.02412	2.5
161.02466	12.7
166.60439	1.6
167.36185	1.8
170.54082	2.0
190.87431	1.9
215.95232	6.3
219.94705	4.4
238.41873	2.4
245.42004	2.0
587.37268	2.1
631.36450	8.3
654.26355	3.8
669.28833	15.0
670.29108	7.9
687.30200	11.1
688.30481	3.3
731.28821	100.0
732.29138	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	4.6
58.00578	1.2
59.01382	38.6
60.73549	0.9
61.52449	0.9
61.98830	15.9
69.03461	1.3
69.66962	5.1
71.01394	8.1
72.99305	1.2
73.02955	12.9
75.00866	1.1
83.01394	17.0
84.01755	1.1
85.02936	2.3
87.04506	4.4
95.01381	1.8
97.02954	1.9
98.22543	1.0
99.00912	1.5
101.02451	8.4
108.02187	3.4
109.02962	6.1
109.06605	3.4
111.00876	2.2
113.02442	2.4
117.11081	1.0
121.02954	1.2
123.00907	7.4
123.04530	3.8
124.01694	8.5
125.02525	2.0
125.06126	2.7
134.03748	3.9
135.04564	1.2
136.01674	70.6
137.02492	14.5
137.09712	1.5
138.03255	1.5
138.82240	1.0
139.11317	22.0
140.11537	1.1
148.05275	2.9
149.06081	4.2
150.71913	1.0
151.04019	81.6
151.11278	2.5
152.01129	1.2
152.04399	2.5
160.05334	2.2
161.09753	1.2
163.07643	2.4
163.11269	3.1
164.04808	2.4
165.05580	10.3
165.09239	3.7
167.03542	0.9
167.10693	1.1
169.12383	6.1
175.07625	5.6
176.08406	2.4
177.09236	1.4
179.07123	1.3
179.10768	3.4
181.12407	9.4
183.10289	37.0
184.10564	2.1
185.11711	1.4
188.04826	1.1
191.07204	3.3
191.10838	1.2
197.11842	5.8
199.13419	3.1
207.10237	1.7
209.08183	1.7
209.11852	3.0
211.13390	3.4
225.11340	37.8
226.11636	2.5
231.10213	1.8
239.12982	1.5
243.12370	31.3
244.12746	2.5
249.11351	4.5
263.12903	1.2
267.12469	5.8
270.09109	1.4
285.13467	3.7
287.86118	1.3
291.12433	6.7
295.09842	5.1
301.00027	1.2
309.13477	4.4
310.12140	4.3
325.14526	3.3
327.14639	8.2
328.13101	15.3
329.03970	1.1
329.13852	10.2
330.14304	2.0
332.60123	1.1
340.87360	1.2
343.15521	100.0
344.15933	11.0
387.16635	17.4
388.16940	3.0
455.92511	1.2
521.13330	2.1
691.49585	1.1
713.32446	1.9
731.32819	93.2
732.33167	23.8
732.45514	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	733.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	2.1
61.98838	1.4
65.00333	0.8
67.01884	0.9
69.03461	0.9
71.01391	3.0
71.29785	0.9
72.99307	1.4
73.02941	0.8
81.03465	0.8
82.95410	0.7
83.01385	1.1
85.02943	1.7
87.00893	1.3
89.02431	0.9
95.01378	2.0
96.96008	2.8
97.02956	1.3
97.04871	0.8
99.04523	1.7
101.02448	1.9
106.38595	0.6
107.01392	8.8
109.02907	0.9
110.00108	0.8
111.00899	2.7
113.02452	1.7
121.76611	0.6
123.00899	11.3
123.04572	0.8
124.01682	3.0
125.02457	53.0
126.02783	1.7
136.98845	2.0
137.02438	1.7
139.00374	4.9
139.03972	0.9
140.01175	4.1
141.01944	0.6
149.02448	1.6
150.03154	0.7
151.00383	7.0
151.04095	0.8
153.01961	1.7
161.02470	0.8
163.04037	0.7
164.04832	1.1
165.01907	1.1
166.99850	2.2
168.00656	7.6
169.01437	71.9
170.01767	3.8
177.01929	1.0
179.07133	1.5
181.01495	1.3
183.03130	0.7
193.01419	3.1
211.02483	15.9
237.04103	1.2
241.03522	1.1
251.90833	0.6
253.03568	0.7
267.45245	0.7
271.04611	10.0
272.05127	0.7
285.04416	0.7
295.04663	1.4
303.07101	0.7
313.05637	5.5
331.06802	3.0
342.14584	0.8
375.27396	1.4
423.05783	6.3
424.06097	0.9
467.15524	1.0
483.07739	6.0
484.08130	1.1
485.16675	7.3
486.17471	1.2
581.22400	8.2
582.22583	1.1
723.60974	0.8
733.23468	100.0
734.23749	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.7
59.01378	3.5
61.98829	6.8
67.01877	0.7
69.03449	1.3
71.01382	2.5
73.02921	0.9
83.01408	1.5
85.02965	1.4
87.00918	1.5
89.02471	1.4
95.01400	2.7
96.96041	1.1
97.02961	1.8
99.04519	1.1
101.02457	2.6
107.01386	9.2
108.02205	1.0
109.02950	1.1
111.00896	2.4
113.02482	1.5
121.02968	1.1
123.00901	10.2
123.04481	0.8
124.01707	2.1
125.02454	49.2
126.02802	1.8
127.00372	1.4
136.98846	0.8
137.02457	1.9
138.03264	0.8
139.00395	3.8
139.03993	0.7
140.01204	4.5
141.01906	1.2
149.02466	0.9
151.00381	8.5
151.04044	1.3
161.02397	0.8
163.04109	0.7
165.01968	0.8
165.05392	0.8
166.99838	1.5
167.03519	1.4
168.00655	8.9
169.01437	63.2
170.01814	3.1
181.01428	1.9
181.05028	0.7
193.01433	2.3
195.06586	0.9
211.02464	13.2
212.02791	1.2
220.86580	0.9
229.43570	0.8
233.77283	0.7
235.02551	0.9
241.03467	0.9
253.03481	1.2
271.04620	9.6
295.04517	1.2
297.25745	0.7
313.05652	5.0
331.06757	3.3
375.27295	1.0
391.26944	0.9
423.05768	5.7
483.07999	6.8
485.16663	6.1
581.22333	7.6
582.22644	1.5
681.06079	0.8
733.23438	100.0
734.23840	23.3
734.36591	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.7
61.87611	1.1
61.98823	4.5
67.01887	1.8
69.03474	1.3
70.57025	1.0
71.01382	5.3
71.29695	1.8
76.11462	1.1
79.01886	1.5
79.07557	1.2
79.35117	1.1
87.00931	1.2
87.31750	1.1
92.69445	1.1
95.01391	3.2
96.96067	1.4
97.02963	2.9
101.02450	2.0
107.01394	19.1
109.02956	1.9
111.00898	4.0
113.02464	1.5
123.00921	13.1
124.01671	3.4
125.02460	83.9
126.02822	3.8
136.98827	3.0
137.02501	1.9
139.00371	7.6
139.04042	3.8
140.01186	7.1
151.00365	7.9
151.04036	2.0
153.01883	1.9
157.84010	1.1
166.02783	1.6
166.99840	1.3
168.00668	9.2
169.01434	88.5
170.01797	3.4
175.04001	2.7
177.05389	1.7
179.03354	1.3
180.04337	2.2
182.02151	1.5
183.02997	9.6
189.05634	1.4
190.06335	4.3
191.07181	2.9
193.05028	1.8
197.04556	1.4
205.08701	2.4
208.07274	1.7
211.02469	2.1
213.02184	1.7
252.53145	1.3
285.00473	13.9
297.06149	2.0
300.02960	1.7
313.05682	19.3
318.24765	1.4
327.07260	1.7
375.14645	3.5
389.16269	1.6
473.38623	1.2
526.16235	1.3
674.71271	1.5
733.23529	100.0
734.23822	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	733.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	14.6
59.05262	1.1
61.98834	15.1
65.87567	0.9
69.03422	1.1
69.53687	4.2
71.01369	4.8
72.99287	1.3
73.02921	1.7
79.01894	1.7
82.95428	2.3
83.01388	1.7
84.95110	2.8
85.00446	10.2
85.02934	1.8
87.00867	2.3
88.98828	1.8
89.02435	2.5
95.01363	2.7
96.95998	4.3
97.02950	1.7
98.21754	1.5
99.04528	2.4
101.02450	4.6
107.01394	7.0
108.02197	1.1
109.02923	1.3
111.00912	2.1
113.02453	2.0
116.92889	1.4
121.02985	1.4
123.00896	10.4
123.04523	1.1
124.01730	2.3
125.02454	48.1
134.03722	1.5
135.04497	3.1
137.02391	1.4
138.03268	1.1
138.51990	1.2
139.00365	4.4
139.04015	1.3
139.11299	2.3
140.01152	5.2
149.02425	6.3
150.02847	1.5
151.00395	7.9
151.03963	1.9
161.02504	1.5
164.04750	9.2
165.05255	2.4
166.02652	1.1
166.99814	2.1
168.00639	6.7
169.01437	71.7
170.01797	1.8
175.04007	1.8
179.03404	1.6
179.07175	3.7
181.01443	1.8
181.05138	1.9
181.12318	2.0
183.10265	3.1
191.03474	1.3
193.01500	3.3
209.11815	1.2
211.02438	12.4
227.12929	4.9
240.04257	1.4
243.12389	5.7
254.61917	1.3
269.08572	1.2
269.14127	1.9
271.04636	10.2
283.06238	1.5
285.13309	2.4
287.14960	7.0
298.08456	1.6
313.05746	5.8
313.10480	1.2
327.12335	3.7
331.06656	3.2
343.11948	1.4
345.15698	2.5
372.15283	1.2
375.98285	1.2
389.18311	2.0
405.17526	4.4
411.34128	1.2
423.05618	7.6
449.20139	6.0
483.08011	5.7
485.16431	5.6
487.34180	7.0
553.22858	1.9
581.22272	7.3
715.29797	6.1
733.23279	100.0
734.23566	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	733.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	5.2
61.98846	3.0
67.01867	0.8
69.03426	1.2
71.01388	3.9
72.99287	1.1
73.02945	1.4
79.01860	0.9
82.95418	2.9
83.01359	1.5
84.62766	0.6
85.02924	1.4
87.00838	1.0
89.02402	1.2
95.01382	3.1
96.95992	2.0
96.99248	0.9
97.02919	1.5
97.04974	0.6
99.00894	0.8
99.04500	1.6
101.02451	2.8
107.01401	8.8
107.04962	0.8
109.02888	0.9
111.00848	2.4
111.31158	0.5
113.02435	2.2
116.92816	0.9
119.04962	2.0
121.02922	1.9
123.00900	12.5
123.04507	0.8
124.01601	1.9
125.02457	53.0
126.02742	2.7
127.00329	0.6
134.03699	1.2
135.04491	1.7
135.49510	0.6
136.98770	1.6
137.02422	1.2
139.00378	4.2
139.03943	1.0
139.11237	1.7
140.01193	3.5
141.01892	1.5
145.02870	0.8
149.02408	1.2
149.05991	1.1
151.00394	8.0
151.03926	1.3
153.01877	1.0
155.10632	0.9
156.65315	0.5
161.02316	0.8
161.06036	0.8
163.03918	1.9
164.04613	1.0
165.01901	0.7
165.05476	0.6
166.99800	1.7
167.03445	1.2
168.00639	7.8
169.01439	68.7
170.01686	2.1
179.03456	1.7
179.07010	0.8
181.01289	1.6
181.12282	0.9
183.02985	0.8
183.10135	1.7
183.40421	0.6
188.04747	0.6
191.03482	0.8
193.01434	2.8
193.05092	0.6
211.02487	16.2
223.05917	0.7
225.11264	2.1
235.02318	1.1
237.03810	1.0
241.03400	1.1
243.12405	1.0
252.07736	0.9
253.03354	1.2
255.06448	1.1
268.07187	1.8
269.08127	1.5
270.08990	4.0
271.04639	11.2
283.09711	1.1
285.11273	6.8
287.14832	1.1
293.37222	0.6
294.08807	1.2
295.04489	1.3
309.11224	1.2
313.05618	4.9
327.12216	2.1
331.06638	2.8
423.05801	6.0
424.06042	0.7
467.15195	1.2
483.07861	6.4
485.16766	6.7
486.16473	1.0
489.17346	1.0
507.17947	0.6
581.22388	7.4
582.22339	1.7
673.28870	2.9
715.28851	1.7
733.22614	100.0
734.22839	22.9
734.33203	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	14.6
60.99272	2.4
61.98833	82.2
67.01835	2.1
69.03427	3.3
69.13879	15.3
71.01403	9.9
73.02944	4.2
78.95918	2.2
79.95701	1.8
80.91651	2.5
81.03425	2.3
82.95430	9.7
83.01400	2.7
85.00417	4.7
85.02935	5.0
87.00858	3.6
87.04520	2.1
88.98813	15.1
89.02433	3.3
95.01378	4.2
96.96017	38.9
96.96947	4.7
97.02936	2.6
98.21838	4.5
101.02407	8.4
107.01374	8.7
108.02174	2.8
109.02922	4.9
111.00874	4.3
113.02435	4.2
116.92832	4.9
121.02926	4.2
123.00904	15.4
123.04491	6.8
124.01667	3.5
125.02458	60.8
134.03760	2.3
135.04518	4.2
136.01540	2.6
137.02388	8.4
138.02980	2.0
139.00354	5.1
139.03952	3.2
139.11238	2.3
140.01088	4.5
148.05310	2.1
149.02419	3.9
149.06108	2.5
150.03152	2.3
151.00377	10.7
151.03932	6.8
152.55754	1.8
153.01865	3.1
153.05511	3.4
155.10725	3.1
161.02402	3.3
161.04562	2.9
163.03947	4.5
163.07678	1.9
164.04739	6.8
165.01921	4.2
165.05528	2.8
166.05899	1.9
167.03456	3.2
167.79356	1.7
168.00627	9.0
169.01439	80.1
169.12096	2.1
170.01784	3.4
179.03430	2.4
179.07095	2.7
179.10757	2.4
181.01276	1.8
181.04927	3.1
181.12292	3.1
183.10190	5.4
185.11856	1.9
191.03450	2.6
193.01314	2.1
199.13458	2.2
207.06602	2.1
209.04454	2.3
209.11792	6.2
211.02481	15.1
217.04883	2.0
225.11250	6.1
227.12703	2.5
243.12244	5.0
268.07230	2.9
270.08734	2.9
271.04565	13.7
271.09537	3.7
283.09769	2.8
285.11041	3.8
301.03552	2.3
301.10513	2.3
313.05499	6.0
327.12024	2.5
345.12958	2.4
373.25909	5.2
391.26917	3.4
402.21390	2.0
423.05371	6.5
424.06247	2.3
483.07440	6.6
485.16278	8.2
487.34052	2.7
581.21912	7.0
715.29218	5.6
733.22693	100.0
734.23218	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	733.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	23.5
63.84980	2.1
69.07950	8.0
69.08381	7.6
71.01380	16.6
73.02961	3.1
83.01399	3.9
83.53808	1.9
85.02956	5.1
89.02451	9.7
95.01447	2.0
101.02444	15.4
113.02435	5.6
115.16638	1.9
117.89368	2.1
119.03511	3.8
125.02455	4.8
139.16896	2.2
153.34816	1.9
177.02174	2.5
183.38353	2.5
289.07126	4.8
379.11990	2.3
443.19244	100.0
444.19586	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64104	1.8
59.01375	3.9
61.98831	18.2
63.29524	1.3
67.01880	8.2
68.99809	1.9
69.03461	1.3
71.01385	10.7
71.29537	1.3
81.03444	2.9
82.95434	1.8
83.01409	1.8
85.02969	2.3
87.00870	2.5
88.61713	1.5
91.01886	5.9
93.42152	1.7
95.01395	11.5
96.96061	1.7
97.02952	2.5
100.11919	1.6
101.02451	5.8
107.01386	7.1
108.02188	17.1
109.02967	9.6
111.00885	6.5
113.02457	3.7
122.03751	1.7
123.00888	19.4
123.04527	25.6
124.01703	2.0
125.02460	21.9
135.04492	2.0
137.02437	12.3
138.03191	2.6
150.03220	3.1
150.49869	1.8
151.00363	15.4
151.04065	8.5
152.01157	33.8
153.01949	9.4
153.05579	6.9
159.04486	1.6
161.02467	4.3
163.03981	3.4
165.05521	2.8
165.18832	1.5
166.02707	5.9
167.03505	67.5
168.03804	4.5
169.01440	14.4
176.04771	2.4
178.06361	1.9
179.03452	8.1
179.07082	1.5
181.05080	88.7
182.05836	45.2
183.06131	3.5
194.05862	7.0
195.06560	3.4
196.07414	73.9
197.04573	2.5
197.08191	67.6
198.08574	4.9
209.08156	10.6
211.02318	1.7
211.09766	74.7
212.10060	4.7
225.05569	1.7
243.06592	9.9
255.06493	1.8
289.07309	2.2
295.08231	2.1
296.05399	6.3
298.98270	3.7
311.07745	100.0
312.08041	8.8
312.99854	2.0
314.00739	4.4
329.03180	6.2
343.11975	1.8
359.15103	3.3
371.14938	2.0
421.18655	3.3
519.52136	1.6
521.16675	92.4
522.16748	12.4
563.17285	2.4
671.13098	2.5
733.27411	39.3
734.27777	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	733.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76913	1.9
59.01384	33.4
61.98839	37.7
67.34279	2.0
71.01394	12.0
71.28477	2.4
73.02961	4.8
82.95424	2.1
85.02971	5.3
87.00908	4.4
88.98844	6.4
89.02459	5.7
95.01427	2.5
96.96014	46.8
96.97022	2.4
97.03011	2.4
98.98573	2.0
101.02456	5.7
108.02209	2.9
109.02959	4.0
113.02477	4.5
121.02966	10.9
125.02496	6.5
135.04593	5.3
137.02487	4.3
139.11322	18.1
149.02492	8.7
150.03294	4.6
153.01997	2.1
161.02472	4.6
163.04166	3.8
164.04764	12.0
165.05566	8.2
169.01503	7.1
179.03600	2.4
179.07196	5.6
181.05130	7.0
181.08762	3.0
181.12340	3.5
183.10278	11.1
195.06551	10.8
225.11403	3.6
243.12523	7.7
255.06743	7.1
267.06747	3.9
269.08337	6.2
270.08807	2.1
282.08969	5.0
285.13675	3.0
300.07172	2.5
300.09897	11.7
301.10809	3.8
312.10300	6.2
313.10873	4.7
315.09155	4.3
315.12158	11.4
327.12445	5.9
332.10458	2.3
343.12009	2.3
353.12531	3.9
357.13428	2.3
359.14880	10.2
360.15549	2.4
371.13657	3.3
375.27573	2.1
399.14566	3.0
399.34906	2.2
407.17444	5.5
444.14423	7.8
456.14655	8.1
457.14923	3.8
459.16620	29.8
460.17242	4.6
462.15411	4.6
463.15356	2.1
471.17078	9.5
474.15686	9.4
477.17725	37.7
478.18219	7.5
489.17862	4.4
541.34216	2.1
551.17926	3.0
597.25574	5.1
643.28241	8.4
644.27570	2.2
655.27832	7.9
685.29059	4.5
697.28961	2.9
703.29724	100.0
704.30072	20.8
705.44849	2.5
715.29767	36.7
716.30371	8.0
733.31146	78.4
734.31787	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	733.308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	14.3
61.98832	4.3
69.37852	1.6
69.38261	2.8
71.01387	1.4
73.02957	1.7
78.95919	6.0
79.95743	4.3
82.95428	3.1
83.01408	1.5
87.00873	2.0
93.19035	0.8
96.96018	100.0
96.96916	7.2
101.02470	2.6
107.01404	2.8
109.02972	1.6
111.00893	1.1
113.02496	1.0
116.92853	1.7
120.82520	0.9
121.02993	2.1
122.03804	0.8
123.00925	3.2
123.04549	1.2
124.01743	0.8
125.02455	16.7
128.86940	0.8
137.02312	0.9
139.00391	1.3
139.11299	9.4
140.11671	0.9
140.63319	0.8
145.02997	1.2
149.06079	1.6
151.00407	1.8
151.04039	0.8
164.04845	1.3
165.05542	1.4
165.09241	1.0
168.00716	2.5
169.00005	1.3
169.01437	24.4
170.01740	2.2
179.03502	1.1
181.12410	5.0
183.10280	11.8
184.10722	0.9
199.13416	3.5
211.02524	4.5
225.11279	6.5
243.06799	1.0
243.12363	21.1
254.06038	1.1
255.06650	0.8
269.08423	1.9
270.09097	1.4
271.04562	2.8
284.10623	0.9
285.13467	8.0
286.45334	0.9
294.08850	1.1
311.09283	2.8
312.09946	2.6
313.05701	1.9
315.14349	1.2
326.11597	4.3
327.12250	9.2
345.15442	6.5
405.17667	9.5
423.05722	1.6
461.20486	1.2
483.07904	2.1
485.16708	1.6
497.84232	0.8
581.22528	1.8
655.28052	1.6
697.28778	1.0
715.29736	24.5
716.30096	4.9
733.21893	27.0
734.22150	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	733.5778
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01953	4.9
53.43214	5.0
54.95154	4.5
61.98825	7.7
69.07433	4.8
77.72086	4.5
79.31406	4.8
85.44254	5.1
96.95988	5.6
103.45087	4.6
106.61906	4.9
115.92074	5.8
146.61125	5.4
147.62701	4.8
214.80055	4.9
247.35637	5.1
269.81400	4.7
277.21780	5.0
455.35361	100.0
456.35815	12.9
467.27319	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	733.5781
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26595	10.1
56.40208	9.7
57.47342	8.3
69.31818	17.5
69.32222	36.0
71.89803	8.5
84.74599	9.7
139.01038	8.8
139.41333	10.0
139.95636	9.3
151.32278	8.4
185.97664	9.7
367.54105	10.5
419.28503	10.1
453.33688	100.0
454.34167	19.2
544.72638	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	734.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66470	1.0
59.01390	1.4
61.98833	20.9
69.72572	2.2
69.72967	1.7
71.01376	3.2
79.01878	0.9
85.00246	1.1
95.01390	1.9
97.02963	1.0
101.02496	1.0
107.01396	9.0
109.02991	1.1
111.00889	2.3
111.31172	0.9
113.02478	1.4
121.02973	1.9
123.00885	12.2
123.04585	1.2
124.01669	1.8
125.02458	54.6
126.02827	1.7
127.00359	1.1
136.01695	8.2
136.98827	1.8
137.02470	3.0
139.00391	5.3
139.04076	1.7
140.01189	3.0
141.01982	1.4
151.00394	6.3
151.03992	11.9
153.01958	1.0
166.99879	1.0
167.03455	1.4
168.00685	4.9
169.01440	66.3
170.01797	2.9
183.02991	3.8
211.02480	1.8
220.83049	1.1
232.82425	1.1
236.46107	1.0
241.03581	1.3
259.38873	0.9
313.05655	17.9
327.07300	1.6
354.09586	1.1
671.19849	100.0
672.20239	23.9
735.25153	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	734.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61179	0.1
53.45913	0.1
59.01373	0.2
61.98833	100.0
62.70353	0.1
71.01385	0.2
73.02921	0.1
73.90888	0.1
75.52602	0.1
78.91900	0.2
82.95426	0.2
88.98833	0.1
93.03481	0.1
96.96068	0.2
98.22641	0.2
99.67876	0.1
107.01463	0.1
109.02995	0.1
123.04575	0.2
125.02496	0.5
135.04552	0.1
137.02452	0.2
139.66054	0.1
149.02440	0.1
167.92343	0.1
169.01480	0.5
179.07184	0.2
209.11882	0.4
236.52783	0.1
262.89883	0.1
271.04602	0.1
271.07330	0.1
357.26450	0.2
364.86557	0.2
386.82016	0.1
471.35434	0.2
476.20374	0.1
734.35016	0.6
735.25171	0.7
735.36401	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	2.9
59.53609	0.7
61.98834	21.3
67.01888	1.9
68.99821	1.0
69.03439	1.8
69.20568	5.8
69.20979	1.3
71.01388	5.5
72.99295	1.3
73.02950	1.5
75.35655	0.7
78.75713	0.7
79.01894	1.5
80.96501	1.2
82.95407	1.1
83.01376	2.3
84.95120	1.5
85.00445	5.4
85.02951	2.6
87.00887	1.2
93.03458	1.8
95.01384	7.8
96.96022	8.6
96.96944	1.0
97.02952	3.6
98.95600	1.5
99.00876	2.1
101.02451	2.5
107.01399	14.5
108.02236	0.8
108.19697	0.7
109.02942	1.6
110.00025	0.9
111.00906	5.7
113.02427	2.4
121.02917	0.9
123.00896	23.2
123.04480	1.2
124.01690	5.8
125.02454	82.6
126.02807	2.5
127.00375	1.7
135.04482	0.9
136.98790	2.9
137.02495	2.2
137.09723	1.1
139.00378	11.1
139.04036	1.2
140.01175	8.6
141.01927	3.2
149.02444	2.8
151.00381	6.4
151.03986	1.9
153.01942	2.0
154.99805	1.0
161.02319	0.9
164.04742	1.8
165.01935	2.4
165.05603	1.2
166.02664	1.0
166.99875	19.4
167.03484	1.9
168.00664	20.1
169.01434	100.0
170.01781	4.5
177.04008	2.0
179.03426	1.4
179.07146	2.2
181.01387	3.3
182.02254	1.1
183.10204	1.4
190.99864	5.4
193.01469	4.6
207.03052	0.9
209.08112	0.8
211.02475	21.3
212.02904	1.0
221.01045	0.9
235.02481	1.0
237.03999	2.9
241.03510	1.4
253.03545	1.5
253.14395	6.1
271.04565	14.8
272.04889	1.2
275.01846	1.4
295.04633	0.9
297.06204	1.4
300.99960	10.4
313.05612	9.0
329.05118	3.6
331.06650	4.7
405.04453	0.9
406.17947	0.9
421.03610	0.9
423.05643	9.8
465.06509	1.4
481.06345	8.5
482.06805	2.4
483.07843	41.2
484.08084	5.1
539.21112	5.1
567.20642	3.8
568.20599	1.0
583.20746	1.0
633.17896	1.3
675.15039	1.1
677.16058	1.1
691.22626	9.2
692.22699	1.3
703.18689	3.3
717.20160	6.3
717.31152	1.6
718.20520	4.0
735.21368	40.5
736.21533	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	735.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00296	0.9
56.07925	1.0
56.71891	0.9
59.01383	6.5
59.58371	0.9
61.98838	22.1
67.01880	1.8
67.71195	1.0
68.48278	1.1
69.03442	2.6
71.01369	4.4
72.99300	2.4
73.02945	1.9
79.01892	0.9
81.03440	1.2
82.95386	1.9
83.01385	2.3
85.00439	2.2
85.02927	3.1
86.16631	1.0
87.00884	1.9
88.98796	1.8
93.03436	1.3
95.01369	5.0
95.42167	1.0
96.95996	3.1
97.02951	2.7
97.06577	1.3
99.04509	1.0
101.02447	3.1
106.99458	0.9
107.01402	13.6
109.02935	1.8
111.00887	5.8
113.02430	2.7
113.09702	1.0
116.92861	1.9
121.02914	1.2
123.00889	17.3
123.04490	1.7
124.01649	3.8
125.02462	86.3
126.02769	3.8
127.00307	1.2
136.98776	2.8
137.02428	3.1
138.03249	1.7
139.00359	9.5
139.03922	1.3
140.01195	8.6
141.01935	2.2
149.02415	1.9
151.00366	6.7
151.03998	1.8
151.07642	1.0
153.01976	1.8
155.10698	1.5
161.02393	1.2
161.04439	1.1
163.03882	1.1
164.04802	1.1
165.01930	1.8
165.05542	2.4
166.99884	7.4
167.03452	1.3
168.00638	16.1
169.01443	100.0
170.01733	3.7
177.04013	1.0
179.03476	1.5
179.07072	1.1
181.01396	3.4
183.10101	1.2
190.99878	2.2
193.01314	3.2
204.68501	1.0
211.02499	17.3
223.02426	1.6
235.02394	1.2
236.03027	1.0
237.04004	2.4
241.03497	2.2
253.03569	2.1
253.14386	1.7
271.04593	10.4
300.99713	4.1
313.05835	5.2
316.99588	1.0
329.05026	3.1
329.13705	1.3
331.06525	2.6
423.05737	10.1
424.05908	1.7
465.06537	1.6
473.32727	1.2
481.06119	4.5
482.06879	1.5
483.07874	21.0
484.08035	4.8
525.15747	1.3
539.21478	10.7
540.21295	2.0
565.18665	1.5
567.20129	1.8
583.22736	1.6
633.18140	2.2
691.11694	1.4
691.22412	17.4
692.22241	3.8
717.19781	3.6
735.21985	44.2
736.22223	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	735.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.1
61.91717	1.0
61.98833	7.4
63.44439	0.9
64.56897	1.0
65.00296	1.3
67.01891	2.4
69.03441	1.6
71.01393	5.0
71.04995	0.9
72.99302	1.1
73.02924	1.4
79.01898	2.4
79.48248	0.9
80.10299	0.8
80.80302	0.9
83.01390	1.4
85.02959	3.0
87.00875	2.3
88.98788	1.9
92.19473	1.3
93.64605	0.9
95.01398	6.5
95.05029	1.2
95.35655	1.3
96.96010	3.1
97.02954	3.5
101.02434	3.1
101.24969	0.9
107.01401	19.7
107.02089	2.1
109.02956	2.8
111.00898	7.0
113.02438	2.1
121.02959	1.8
123.00884	27.0
123.04508	1.1
124.01729	6.1
125.02452	95.3
126.02759	3.9
127.00343	2.4
129.48459	1.1
135.04527	2.0
136.98813	4.0
137.02470	2.6
139.00386	11.4
139.03958	1.5
140.01163	8.7
141.01900	3.1
142.00458	1.0
149.02435	4.2
150.03152	1.7
151.00374	13.6
151.04010	1.4
153.01921	1.2
161.02464	1.1
164.04831	7.8
165.05548	2.3
166.99843	5.6
168.00635	18.2
168.62988	1.0
169.01436	100.0
170.01744	3.5
179.03423	1.7
179.07150	7.2
183.10184	1.8
189.63181	1.1
193.01350	2.4
211.02530	5.3
237.04002	4.3
253.03616	1.7
271.04697	4.9
289.07227	4.1
295.04749	1.3
296.05316	1.2
297.06097	2.1
313.05615	7.1
366.60394	1.1
375.44681	1.1
385.11374	14.0
386.12265	1.4
407.17038	2.0
481.16956	2.9
521.20264	2.8
525.16193	1.4
536.11578	3.8
537.12482	23.8
538.12671	3.9
539.21381	31.1
540.21588	4.3
542.44202	1.0
583.19751	1.8
633.18298	8.8
676.19647	1.8
677.17236	8.9
678.17328	1.8
691.22461	42.2
692.22644	7.6
735.21387	53.7
736.21478	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	735.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06631	0.5
57.01692	0.4
57.03439	1.8
59.01387	0.5
61.98812	2.1
69.03457	0.6
70.11469	1.4
70.11815	0.5
81.03479	2.6
83.01388	3.3
85.02934	0.7
91.87081	0.5
93.03452	1.7
95.01387	0.9
95.05067	2.6
96.96014	1.4
97.02386	0.5
97.02958	6.2
99.04539	0.7
108.02173	1.7
109.02956	21.3
109.03712	1.1
110.03296	1.0
116.92825	0.7
121.02960	4.9
122.03709	1.7
123.00909	0.6
123.04536	13.7
124.01593	0.5
125.02456	15.1
134.03761	2.7
135.04547	4.2
137.02454	14.8
138.03223	0.8
139.04025	5.9
145.02933	1.2
146.03709	1.4
147.04491	2.0
149.02443	7.7
149.06055	1.7
150.03166	1.5
151.02870	1.0
151.04013	9.9
153.01909	0.5
155.20700	0.5
158.57385	0.5
159.04497	2.7
160.05247	1.6
161.02444	2.6
161.06108	5.1
162.03189	1.4
163.04002	1.8
164.01146	3.7
165.01903	5.2
166.02669	0.4
167.03514	2.4
169.01398	1.0
173.06033	1.3
174.03174	0.6
175.04042	2.8
175.07671	2.4
177.01941	2.1
177.05595	1.0
178.02635	0.7
179.03497	6.7
181.08636	0.6
185.06033	1.2
187.04022	4.4
188.04758	4.6
191.03494	1.0
197.06056	0.6
199.07614	0.9
201.05524	0.9
202.06355	1.7
203.07143	12.6
204.07512	0.8
205.05052	7.3
206.05434	0.8
209.11922	0.5
212.04771	0.6
213.05576	1.5
215.07133	5.8
217.08716	0.6
217.27480	0.5
221.08145	1.9
227.07112	2.2
229.04982	0.6
231.03123	0.5
238.06560	0.6
239.07077	1.4
241.05035	1.9
245.08186	19.7
246.08588	1.9
247.06076	0.6
255.06610	3.2
256.07391	8.9
257.08041	3.0
268.07382	1.4
271.06717	1.0
271.09763	28.6
272.10181	1.7
283.09668	0.6
289.07184	100.0
290.07489	10.0
301.03949	1.0
301.07190	13.8
302.07388	1.0
308.53232	0.6
433.15085	2.4
451.12323	1.2
529.18823	1.6
553.23352	0.9
573.17627	9.7
574.18384	2.4
583.18512	2.3
613.19537	0.7
726.83643	0.5
735.22925	30.4
736.23389	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	735.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	2.1
59.01361	0.9
61.98836	3.1
65.52687	0.5
69.03428	0.6
81.03458	3.0
82.95422	6.0
83.01377	3.8
90.26463	0.5
93.03461	1.9
95.01378	1.4
95.05068	2.4
96.96019	2.4
97.02960	5.2
98.21779	1.0
99.04493	0.5
106.17261	0.5
106.73775	0.5
107.05064	0.5
108.02164	1.9
109.02959	21.0
109.19939	0.5
121.02974	4.9
122.03754	1.5
123.00905	0.7
123.04533	14.3
124.01713	0.6
124.04903	0.6
125.02454	17.9
126.02782	0.7
132.66310	0.5
133.02905	1.1
134.03745	2.9
135.04532	3.9
137.02455	15.6
138.03180	0.8
139.04033	5.9
145.02946	0.7
146.03766	1.9
147.04541	0.7
149.02470	9.7
149.06082	2.2
150.03178	1.8
151.04013	9.4
157.06618	0.6
159.04523	3.2
160.05281	1.7
161.02443	2.3
161.06105	6.0
162.03224	1.6
163.03981	1.7
164.01140	4.2
164.04834	0.7
165.01952	6.1
166.02719	0.9
167.03513	1.7
169.01442	1.9
173.06105	0.6
174.03271	0.8
175.04054	2.7
175.07672	1.9
177.01955	2.2
177.05461	1.0
178.02722	0.9
178.99808	0.5
179.03528	7.1
185.06038	1.0
186.06842	0.6
187.04060	5.0
188.04810	4.6
191.03534	0.9
197.06010	0.8
201.05536	1.2
202.06404	1.6
203.07178	13.4
204.07457	1.0
205.05078	9.9
206.05421	0.6
212.04710	0.6
213.05571	1.4
215.07143	6.8
216.07507	0.7
217.05011	0.6
217.08588	0.6
221.08189	2.3
227.07181	3.0
230.05803	1.0
231.03044	0.9
238.06332	0.6
239.07126	1.2
241.05077	2.3
245.08197	19.7
246.08591	1.9
247.06232	0.9
255.06602	2.8
256.07449	8.6
257.08145	2.2
268.07495	1.4
271.09769	30.8
272.10178	3.2
283.09781	0.7
289.07196	100.0
290.07556	7.0
295.71857	0.6
297.11371	1.4
301.07196	14.6
302.07489	0.7
306.87109	0.6
433.15244	3.1
446.70425	0.6
473.32629	4.9
529.18634	2.4
544.00519	0.6
571.18463	0.9
573.17706	10.9
574.18085	1.4
583.17657	3.2
584.18304	0.6
735.22949	36.3
736.23315	8.8
761.43494	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.5
58.95936	0.6
61.98821	2.2
64.87531	0.6
69.03455	1.0
69.96867	0.6
71.01394	0.8
81.03460	2.8
83.01392	4.0
85.22586	0.6
93.03462	2.2
95.01377	1.3
95.05041	2.1
95.36164	0.7
96.96034	1.3
97.02947	6.7
97.79862	0.6
108.02158	1.8
109.02959	24.6
110.03309	0.7
121.02973	4.9
122.03790	1.5
123.00910	0.7
123.04538	16.3
125.02455	14.8
134.03745	3.1
135.04530	4.3
137.02457	15.4
138.03163	1.1
139.04030	6.9
145.03006	1.2
146.03726	1.4
147.04539	1.5
148.05368	0.8
149.02446	8.9
149.06082	1.3
150.03171	1.2
151.04007	10.0
152.04549	0.6
155.23297	0.7
159.04543	3.4
160.05244	1.2
161.02454	2.7
161.06114	5.8
162.03235	1.9
163.03969	1.3
164.01184	3.7
165.01950	5.2
167.03491	1.6
169.01448	1.0
173.06076	1.3
175.03979	2.6
175.07655	2.5
177.01953	1.9
177.05656	0.7
179.03546	7.6
180.04091	0.7
185.06145	1.6
187.04019	4.8
188.04803	5.4
191.03511	1.5
197.06001	0.9
199.07730	0.9
199.84155	0.7
202.06363	2.7
203.03682	0.9
203.07129	14.1
204.07404	1.5
205.05101	8.5
205.44460	0.7
212.04834	1.2
213.05580	1.6
215.07140	7.0
217.08798	1.1
221.08234	3.3
227.07115	2.6
231.03075	1.0
238.06357	0.8
239.07144	1.2
241.05106	1.9
245.08203	20.8
246.08488	2.1
247.06113	1.6
255.06696	2.6
256.07468	9.5
257.07996	2.7
268.07465	0.8
271.09775	30.4
272.10159	2.5
289.07208	100.0
290.07550	8.3
297.11145	1.0
301.07208	13.4
302.07544	1.9
433.15021	3.2
504.42035	0.7
529.18707	2.1
545.65796	0.7
568.51886	0.7
573.17731	9.5
574.18347	1.7
580.74115	0.7
583.17908	2.7
586.49139	0.7
735.22876	30.2
736.22998	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	735.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	2.3
61.98826	4.3
69.03469	0.6
81.03437	2.5
82.95411	4.3
83.01401	4.1
88.08842	0.7
88.86263	0.5
93.03453	2.4
95.01381	1.1
95.05012	2.7
96.96005	1.2
97.02962	7.5
98.21812	1.5
108.02166	2.0
109.02957	23.7
121.02148	0.8
121.02950	6.3
122.03720	1.2
123.00833	0.7
123.04533	15.6
125.01541	0.8
125.02454	16.6
132.14445	0.5
134.03740	3.6
135.04544	3.8
137.02449	15.1
139.04041	6.4
143.31526	0.7
145.02931	1.7
146.03702	1.5
147.04521	1.4
149.02444	9.5
149.06104	2.2
150.03140	1.2
151.02907	0.8
151.04025	9.0
159.04514	3.0
160.05289	1.6
161.02405	2.5
161.06070	6.7
162.03177	2.2
163.04010	2.2
164.01184	4.1
164.04712	0.7
165.01929	6.7
167.03465	2.4
169.01399	1.5
173.06073	0.9
174.03220	1.0
175.03969	2.7
175.07600	2.4
176.01102	0.6
177.01903	2.2
177.05573	1.0
178.02710	0.6
179.03510	6.4
181.05164	0.6
185.06050	2.2
186.06776	0.7
187.03987	6.0
188.04832	3.5
189.05367	0.6
191.03445	1.5
197.06049	1.0
201.05576	0.8
202.06323	2.5
203.07147	14.6
204.07520	1.2
205.05054	10.1
212.04782	0.7
213.05592	1.9
215.07208	6.5
217.08667	0.7
221.08220	2.8
227.07132	2.0
230.05757	0.9
231.03055	0.9
238.06372	1.0
239.07118	2.6
241.05055	2.4
245.08189	21.2
246.08565	1.0
247.05991	1.5
254.05701	0.8
255.06602	3.9
256.07419	10.3
257.08182	3.4
268.07437	0.6
271.09756	33.4
272.07361	0.7
272.10086	3.6
289.07184	100.0
290.07474	7.1
301.07138	15.0
302.07602	1.0
421.12836	1.2
433.15015	2.8
473.32394	4.7
493.52869	0.7
529.18677	1.4
530.19244	0.6
573.17749	10.8
574.18103	2.1
583.18298	2.4
735.23004	36.5
736.23456	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	735.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.9
61.03408	0.7
61.98828	7.5
67.01875	1.0
67.62797	0.8
69.03467	1.2
71.01392	3.1
71.05035	1.1
73.02913	0.8
79.01889	1.1
85.02966	1.0
87.00902	1.1
87.38957	0.8
95.01416	4.0
96.96001	0.9
97.02951	1.4
98.21783	1.4
99.04526	1.5
101.02445	1.5
106.75352	0.7
107.01405	9.8
109.02998	1.2
111.00908	2.3
111.09280	0.8
113.02428	1.5
113.96304	0.9
115.07629	1.2
116.92881	1.0
123.00902	11.7
124.01687	1.5
125.02458	51.7
126.02783	2.3
127.00404	0.9
127.07700	1.0
135.04520	0.8
136.98840	1.2
137.02449	2.6
139.00368	5.0
140.01154	4.4
141.01939	1.5
149.02440	2.1
150.03232	1.4
151.00363	8.9
153.01961	1.1
161.02434	0.9
162.03236	1.0
164.04712	0.8
165.01942	1.3
165.05479	1.6
165.38367	0.7
166.06357	2.0
166.99910	1.0
167.03528	1.1
168.00658	8.3
169.01434	73.3
170.01764	2.9
177.01825	0.9
179.03551	1.8
180.04260	0.7
181.01404	1.4
181.08679	1.1
183.02986	0.9
193.01431	2.9
195.06647	0.8
211.02483	12.8
237.04126	0.9
241.03456	1.1
241.54483	0.8
253.03621	1.2
271.04636	9.1
295.04630	1.5
313.05701	5.8
331.06708	2.5
341.09064	1.0
423.05594	5.1
483.07751	4.2
485.16711	2.7
583.23828	9.0
584.24097	2.6
658.94434	0.8
735.25079	100.0
736.25439	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.6
59.01390	3.1
61.98842	3.2
67.01879	0.6
69.03455	1.2
71.01392	2.5
78.72071	0.5
79.01907	1.3
82.71022	0.5
83.01396	0.9
84.34314	0.6
85.00417	0.7
85.02965	1.3
87.00876	1.0
89.02427	0.5
90.76414	0.7
95.01395	1.8
96.96014	4.2
97.02969	1.5
101.02465	2.1
107.01398	8.4
109.02945	0.7
111.00885	3.2
113.02480	0.8
115.07677	2.1
121.03027	0.6
123.00890	11.7
124.01657	2.3
125.02462	55.6
126.02813	2.1
127.00417	0.5
127.07632	0.6
127.58817	0.6
132.93312	0.5
136.98805	1.3
137.02467	1.1
139.00374	4.0
140.01198	3.4
141.01971	0.9
149.02431	0.6
151.00372	7.9
151.04027	0.7
163.04024	0.8
165.05540	0.6
167.03510	0.8
167.31883	0.6
168.00664	6.5
169.01442	71.4
170.01796	2.5
175.03986	0.7
177.01985	0.7
179.03502	1.1
181.01489	1.3
181.05104	1.0
193.01460	2.3
207.02908	0.7
209.04585	0.7
211.02489	11.3
220.88467	0.6
223.02586	0.7
227.12993	0.9
253.03580	1.4
271.04657	6.7
288.15250	0.9
289.15576	0.8
295.04739	1.6
308.59744	0.6
313.05774	3.5
314.06073	0.6
331.06708	0.8
423.05789	2.7
450.20963	1.4
451.21384	0.7
467.15576	0.7
473.32608	3.1
483.07999	2.0
484.07935	0.8
485.16891	2.3
583.23993	10.4
584.24518	1.9
623.75250	0.6
735.25098	100.0
736.25458	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	735.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25931	0.7
59.01373	4.2
60.38096	0.7
61.98835	62.5
67.01891	0.8
69.03461	1.3
71.01386	4.1
71.05022	0.8
71.45387	0.7
72.99286	1.2
73.02935	2.2
81.03438	1.0
82.95407	2.2
83.01382	1.5
85.00430	1.9
85.02951	2.3
87.00866	1.7
88.98802	1.5
89.02453	2.0
93.20921	0.8
95.01401	2.6
96.96012	3.3
97.02979	1.4
99.00867	1.8
99.04545	1.7
101.02445	2.8
107.01403	8.5
108.02240	1.1
109.02947	2.4
111.00892	3.6
113.02443	1.9
115.07668	1.0
116.92856	5.0
119.05112	0.9
121.02985	1.0
123.00914	12.6
123.04477	1.0
124.01676	2.3
125.02460	50.3
126.02783	1.1
127.00367	1.7
127.07711	1.1
134.03741	0.8
135.04573	1.7
136.01753	0.9
137.02423	2.7
138.03233	1.5
139.00374	5.0
139.04054	1.2
140.01140	3.2
149.02451	2.3
149.06094	1.6
151.00391	7.0
151.04033	2.1
153.05559	1.0
155.10786	1.0
163.04063	1.5
164.04773	2.3
165.01947	2.1
165.05576	1.4
166.99883	1.7
167.03535	1.9
168.00667	8.5
169.01440	65.9
170.01747	3.1
175.74944	0.7
177.01984	0.8
179.03537	1.4
179.07166	1.4
179.10767	1.0
180.04341	1.1
181.01378	1.3
193.01384	2.8
195.06635	3.0
197.11815	2.4
207.10275	0.9
209.11842	1.1
211.02505	14.2
212.02753	1.2
225.11342	0.9
242.64684	0.8
253.03389	0.9
271.04572	8.4
288.52057	0.7
295.04572	1.2
300.99747	1.2
313.05728	5.3
331.06769	2.5
345.13434	1.0
357.26544	1.5
389.16348	1.5
423.05646	4.7
424.06223	1.4
467.15454	0.9
483.07635	4.6
485.16678	3.1
557.31860	0.9
583.23810	10.7
584.24286	1.5
631.48322	0.9
720.33856	0.9
735.24933	100.0
736.25250	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.3
61.98836	40.5
67.01880	1.2
69.03448	0.9
69.82139	2.3
71.01375	2.8
72.99325	1.4
73.02954	0.8
74.43121	0.7
75.00880	0.9
79.01906	0.8
79.36306	0.6
80.75052	0.7
81.03464	1.2
83.01395	1.4
87.00916	1.0
87.04552	0.7
89.01154	0.7
95.01408	1.5
97.02962	1.0
98.21836	1.1
99.04515	1.7
101.02457	2.3
107.01398	11.0
109.02972	0.7
111.00903	2.5
113.02438	1.4
115.07656	1.2
116.92864	1.1
120.00787	0.6
123.00898	9.4
124.01664	2.4
125.02461	49.6
126.02815	2.1
127.00353	1.0
127.07664	0.7
128.61702	0.6
135.04472	0.9
137.02419	1.2
139.00369	4.9
139.04018	0.8
140.01192	3.5
141.01965	1.6
149.02586	0.7
151.00374	8.0
153.01944	1.0
165.01981	1.4
166.99870	1.6
167.03534	1.4
168.00679	7.5
169.01443	72.6
170.01822	3.0
175.03960	0.7
177.47255	0.6
179.03482	1.1
181.01367	1.5
193.01411	2.0
193.04974	0.8
193.08728	1.3
211.02510	11.5
237.04114	1.2
241.03578	0.9
253.03546	1.5
271.04587	9.4
272.05106	1.0
278.23618	0.7
295.04590	1.6
313.05606	3.9
331.06870	2.4
357.26425	1.2
423.05817	2.9
424.06125	0.9
459.02338	0.9
467.15417	0.8
483.07932	5.4
485.16772	2.5
583.23920	7.7
584.24414	2.1
735.25073	100.0
736.25403	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	735.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.1
61.98836	29.7
64.35374	0.4
65.00332	0.6
67.01885	1.3
68.99803	0.8
69.03449	1.2
69.78139	1.3
70.07806	0.4
71.01392	2.6
71.05012	0.9
72.99319	0.7
73.02949	0.8
73.78766	0.4
78.91879	0.6
79.01893	0.9
83.01401	1.0
85.02962	1.1
87.00883	1.8
87.04517	2.7
89.02447	1.0
93.03440	0.4
95.01405	1.7
97.02954	2.2
99.08156	1.4
101.02448	1.9
101.06093	0.7
107.01392	11.2
108.02229	0.6
109.02989	0.8
111.00905	2.8
113.02478	1.4
113.94566	0.4
115.07680	0.7
116.92889	0.7
123.00896	10.8
123.04464	1.0
124.01686	1.8
125.02457	58.6
126.02791	1.6
127.00353	1.0
127.07677	0.5
136.98825	2.1
137.02481	1.3
139.00386	4.4
139.03993	0.5
140.01181	3.8
141.01938	1.0
141.12851	0.6
143.03444	0.6
149.02524	0.6
151.00386	7.0
151.04036	0.8
153.01968	0.9
153.25470	0.4
155.07149	0.5
156.07904	1.1
163.04018	0.6
164.04800	0.8
165.01897	1.1
166.99872	1.1
167.03523	1.1
168.00673	7.7
169.01442	74.9
169.12343	1.0
170.01759	3.0
171.13931	0.9
175.03987	0.9
179.03505	1.2
179.07104	0.7
180.16129	0.4
181.01453	0.6
183.03000	0.5
193.01489	1.6
193.05035	0.8
195.06580	0.4
211.02495	10.3
223.02434	0.8
237.04036	2.1
241.03561	0.6
253.03546	1.6
268.17001	0.5
269.17535	0.6
271.04626	9.3
272.05023	0.8
295.04639	1.9
297.06372	0.7
313.05682	6.7
314.05869	0.8
357.26468	0.8
423.05991	0.6
483.07925	0.8
565.22571	0.9
583.24164	6.4
584.24829	1.1
699.21405	0.5
735.25073	100.0
736.25409	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	735.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72843	0.7
59.01381	1.4
67.01878	1.4
69.27648	4.0
69.28059	1.3
69.36993	0.7
71.01383	3.3
72.99293	1.1
79.01877	2.2
83.01402	1.0
85.02969	1.0
87.00881	0.8
95.01392	4.3
96.96027	0.7
96.99174	0.8
99.00877	1.2
101.02470	1.4
107.01389	6.5
109.03003	0.9
110.00114	1.1
111.00906	4.1
113.02377	1.3
123.00900	21.9
124.01683	3.0
125.02461	25.2
127.00369	2.4
136.98802	3.7
137.02478	2.5
138.03192	1.1
139.00389	11.4
139.04037	1.7
140.01183	9.7
141.01915	1.6
151.00362	4.6
151.04030	1.2
153.01942	1.2
166.06419	1.9
166.99860	6.3
167.03481	0.8
168.00653	14.3
169.01443	35.1
170.01822	1.3
175.42239	0.8
177.04042	2.2
179.03540	1.8
180.04222	1.2
181.01349	1.0
181.05115	1.3
182.02217	0.8
183.03008	6.2
194.05867	1.6
195.06619	1.6
196.07428	2.5
197.08226	1.1
201.03345	0.8
209.08083	0.8
211.02457	12.0
211.09671	1.8
212.02745	1.1
223.15450	0.8
225.04050	1.7
241.03796	1.0
271.04587	8.8
297.06219	1.3
313.05722	3.8
329.05200	1.9
344.10754	1.0
359.13525	3.5
510.13568	1.1
523.14032	1.2
524.15106	3.9
525.16211	7.1
526.16681	2.2
539.17920	1.9
553.20673	1.1
735.25085	100.0
736.25452	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	735.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17516	0.9
55.01870	0.9
57.03453	1.1
59.01392	2.3
60.22207	0.9
61.98828	0.9
67.01888	1.3
69.03452	1.3
71.01363	6.7
72.69653	1.0
72.99310	1.4
74.75320	0.9
79.01932	1.1
82.95419	2.2
83.01401	2.2
85.02949	1.4
87.00869	1.2
95.01404	4.2
96.96018	1.2
97.02946	2.7
98.22665	1.9
101.02463	2.2
107.01395	20.7
107.02071	1.4
109.02993	2.0
110.00134	0.9
111.00869	5.3
113.02446	2.0
113.91323	1.2
123.00901	16.6
123.04566	1.4
124.01682	3.2
125.02455	85.5
125.22892	0.8
126.02808	3.2
127.00412	1.8
136.98853	3.7
137.02475	3.4
139.00404	7.7
139.04005	4.3
140.01166	7.9
141.01978	2.2
150.03128	1.3
151.00371	8.1
151.04007	4.1
153.01920	1.1
153.05666	1.9
161.02440	1.8
164.04791	2.4
165.05571	1.3
167.03609	1.2
168.00652	11.6
169.01437	100.0
170.01765	4.2
179.03508	2.5
179.07115	1.8
180.04285	2.2
181.05074	31.3
182.05824	7.3
183.03009	10.5
183.68279	1.1
194.05830	2.8
195.06628	3.2
196.07419	22.8
197.08131	4.1
209.08199	1.6
211.02583	1.4
211.09790	11.6
212.10284	1.0
221.04477	1.0
241.03583	3.1
253.03464	1.0
289.07172	2.2
297.06232	3.9
313.05649	25.1
314.06369	1.3
327.07272	8.9
368.27621	0.9
507.15393	1.7
523.14587	61.8
524.15002	12.4
537.16388	3.2
632.80212	1.2
735.25079	86.9
736.25385	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	735.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	22.9
64.99269	2.6
68.58112	2.9
70.63499	5.6
88.98784	4.5
93.03485	4.6
95.01387	3.0
108.02181	3.9
109.01736	3.1
116.92888	5.6
121.02991	13.5
122.03796	18.1
123.00909	8.8
123.04554	6.8
125.02430	12.6
128.33803	2.4
133.02951	4.2
134.03760	9.6
135.04558	6.6
137.02466	4.0
145.02971	3.8
146.03792	5.8
147.04543	5.9
149.02449	22.4
149.06050	2.9
150.03241	100.0
151.03954	11.4
161.02493	4.6
161.06084	3.6
162.03198	3.3
164.04820	6.2
165.05586	93.4
166.06154	10.3
169.00114	2.5
169.01451	11.5
177.05612	2.6
179.03522	3.5
179.07159	6.3
180.04256	10.1
181.05075	5.4
186.26801	2.4
195.06639	35.1
209.08174	3.1
211.02565	4.0
241.05270	3.8
243.06638	7.3
266.05914	3.4
267.06665	5.1
269.08203	4.6
281.07892	2.5
282.09042	4.1
283.09735	3.5
295.09766	7.5
296.10483	3.9
309.11240	2.8
313.10907	8.7
325.10895	3.5
327.12289	3.5
339.12524	3.6
352.31992	3.0
373.13135	3.3
463.17676	3.6
464.25693	3.2
465.45020	2.8
493.18808	4.8
494.19382	3.9
507.19803	4.0
509.21780	33.3
510.22244	8.1
521.21820	34.3
522.21985	6.9
524.15131	3.9
553.21252	3.7
563.22675	6.4
575.22754	3.5
590.89294	3.6
657.26917	20.2
658.27234	4.9
669.27368	34.9
670.27417	10.9
681.27209	5.6
687.27960	9.7
699.28046	4.6
705.29242	16.7
706.29108	4.8
735.23761	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	735.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
67.79031	4.6
70.61977	9.2
90.25151	4.0
99.92597	12.8
104.09143	4.1
116.92104	8.0
116.92867	100.0
388.88577	4.7
394.76425	5.0
429.14883	4.2
538.75568	4.5
642.38641	4.9
740.33685	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	735.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22490	0.2
61.98815	0.2
62.23626	0.2
68.23568	0.2
68.99577	0.3
73.02950	0.3
73.96872	0.2
95.53044	0.2
98.22561	0.4
99.00920	0.2
99.92593	12.1
100.92622	0.6
112.98585	0.4
114.93419	0.5
116.92873	100.0
117.01976	0.4
117.92887	6.1
133.02943	0.2
161.02426	0.2
212.44510	0.2
502.52423	0.2
535.40527	0.2
617.38220	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
69.32763	1.8
69.60334	1.8
70.62597	4.1
99.92581	13.0
116.92873	100.0
117.92892	6.7
123.11597	2.3
195.06508	2.0
247.10640	1.9
269.12222	1.9
293.43918	1.7
315.48108	2.0
327.45010	2.0
438.00546	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	736.3405
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47554	0.1
59.01376	0.1
61.98833	100.0
62.98536	0.2
68.25747	0.1
69.18340	0.1
69.18739	0.5
69.94376	0.1
71.01383	0.1
80.96484	0.1
88.98807	0.1
107.01407	0.1
116.92891	0.1
123.00939	0.2
124.01707	0.1
125.02468	0.9
126.02830	0.2
128.29965	0.1
139.00394	0.1
151.00359	0.1
166.99864	0.1
168.00630	0.2
169.01419	0.9
170.01785	0.2
204.17528	0.1
209.11913	0.2
211.02567	0.1
212.02966	0.1
313.06207	0.1
473.36456	0.8
474.36871	0.1
484.08490	0.2
736.21729	0.3
737.28552	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	737.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.0
59.01381	4.5
59.40610	0.8
61.98822	1.1
65.00312	0.7
68.99922	8.1
69.03442	1.8
71.01398	5.8
71.05033	0.8
72.99291	1.2
73.02936	1.0
81.03456	1.7
82.95428	2.5
83.01393	1.6
84.95129	6.4
85.00443	18.0
85.02966	1.9
85.62619	0.7
85.72121	0.8
87.00861	1.5
89.02456	1.7
95.01410	2.9
96.39967	0.7
96.96034	1.6
97.02940	2.3
99.04520	1.9
101.02454	3.0
105.94649	0.7
107.01406	11.6
111.00890	4.1
113.02455	2.1
123.00907	13.2
123.04535	0.9
124.01675	2.4
125.02460	72.2
125.37237	0.8
126.02811	2.6
127.00355	1.1
136.98877	1.5
137.02452	2.1
139.00398	6.2
140.01158	5.2
141.01959	1.7
143.03531	0.8
149.02472	1.4
151.00369	9.7
151.04016	1.7
153.01944	1.2
160.04047	1.1
160.53247	0.9
161.95061	0.7
165.01978	1.5
166.99879	2.4
167.03517	1.4
168.00641	10.2
169.01437	100.0
170.01779	4.2
179.03531	1.2
181.01418	1.8
181.05093	2.2
181.06636	0.7
193.01413	4.2
195.06728	0.9
209.04654	1.1
211.02493	18.3
223.02493	0.9
237.04083	1.4
241.03522	1.6
253.03612	1.6
260.62656	0.9
271.04581	13.4
271.19144	1.0
272.05054	1.1
282.18619	0.8
289.07214	1.2
295.04651	1.7
313.05728	8.3
331.06680	2.7
332.07126	0.8
351.99075	0.9
405.04807	1.0
423.05972	4.8
443.55865	0.8
483.07941	7.7
485.16733	6.0
486.16678	1.3
489.82275	0.8
527.17700	7.0
528.17841	1.6
567.20337	4.2
585.21436	4.3
586.22205	1.0
677.50024	2.5
679.18811	21.2
680.18732	4.6
719.21875	22.5
719.34210	1.7
720.22369	5.4
737.23029	96.8
738.23273	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	737.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	5.1
61.98806	3.5
67.20977	0.7
69.03443	0.9
71.01392	4.8
71.29227	1.1
71.76915	0.8
73.02957	1.4
79.01910	1.3
81.03467	1.1
83.01363	2.0
84.95126	2.1
85.00443	4.4
85.02949	2.7
87.04478	0.8
89.02453	1.6
93.03468	1.2
95.01385	3.3
96.96021	1.9
97.02982	1.6
99.00858	0.9
101.02444	2.8
102.55145	0.8
107.01392	7.7
108.02246	0.9
109.02948	1.7
109.65322	0.8
111.00864	3.1
113.02435	1.3
119.03485	1.0
120.99648	1.3
121.02917	1.4
123.00894	10.4
123.04544	2.3
124.01672	1.8
125.02456	78.4
126.02775	3.4
127.00370	1.6
135.04617	0.9
136.98816	1.8
137.02444	3.3
139.00377	6.1
139.04027	1.3
140.01198	5.5
146.59521	0.9
149.02435	1.1
151.00397	5.3
151.04001	2.7
153.01958	1.6
158.67447	0.9
160.04012	3.4
161.02481	1.4
163.42326	0.9
165.01915	2.8
165.05511	1.6
166.99843	2.6
167.03497	2.3
168.00641	14.6
169.01436	100.0
169.34583	0.8
170.01790	4.6
175.04056	1.1
175.85817	0.8
177.01894	1.1
179.03493	1.3
181.01450	3.5
181.05075	1.1
182.02222	1.2
183.03001	2.4
191.07213	0.7
193.01437	7.9
195.06584	1.1
211.02477	36.3
211.09680	1.6
212.02782	1.6
223.02296	1.2
237.04202	1.1
241.03499	2.1
253.03583	2.2
258.95230	0.8
271.04608	24.9
272.04910	1.5
289.07281	2.1
304.58408	0.9
313.05527	3.8
331.06577	4.3
385.11145	0.9
405.04926	1.0
423.05630	11.6
424.06018	1.3
483.07886	25.1
484.07996	2.8
515.30115	1.3
585.21967	13.4
586.21985	1.7
677.49719	1.7
719.21802	2.6
737.22882	82.6
738.23242	23.7
738.34283	1.1
766.76416	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	19.5
60.99313	1.6
61.98833	21.8
69.03492	1.1
69.51651	3.2
69.52061	1.6
71.01378	5.8
72.99330	1.3
73.02943	1.1
74.79411	1.0
79.01904	1.8
79.95764	1.1
80.96536	3.9
83.01408	1.4
85.00457	2.5
85.02962	1.8
87.00873	8.4
88.98815	6.9
89.02472	1.6
93.03442	1.1
95.01366	2.4
96.96043	3.4
99.92550	0.9
101.02461	2.8
103.00411	4.9
103.01500	9.7
107.01390	11.0
109.03003	1.7
111.00903	4.9
116.92887	2.6
117.35127	1.0
120.63878	0.9
121.03012	1.1
123.00900	12.9
123.04572	2.2
124.01742	1.9
125.02457	54.2
126.02831	5.3
127.00404	1.7
127.02956	1.4
136.98840	2.3
137.02483	3.1
139.00368	6.5
139.11328	1.9
140.01199	5.3
141.01805	1.4
149.02441	1.6
151.00371	6.3
151.04033	1.2
151.64647	1.0
153.01999	1.5
163.04114	1.0
163.07640	1.4
164.04831	2.3
165.01950	1.0
166.99966	2.0
167.03488	1.4
168.00658	8.2
169.01443	64.8
170.01762	8.3
171.01935	3.9
179.07140	2.4
181.01521	1.6
183.06677	1.5
193.01535	2.1
193.49617	1.0
194.24768	1.2
209.11894	3.1
211.02556	9.1
212.02798	1.3
215.12862	1.7
237.04063	1.1
271.04678	4.6
273.05188	1.8
295.04456	1.9
303.00098	1.1
313.05719	5.7
329.05521	1.1
347.04163	1.1
373.26031	1.3
383.26132	1.1
385.11383	1.3
423.05560	1.6
468.32315	1.1
483.07599	2.8
484.08487	2.5
485.08307	2.9
515.30597	2.0
541.22461	1.3
545.76770	1.2
567.96332	1.1
585.25757	12.5
586.25964	2.2
693.23328	4.7
719.21747	1.3
737.26617	100.0
738.27191	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	737.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03410	0.7
58.77137	0.6
59.01385	4.0
60.99290	1.9
61.98832	14.8
65.09525	0.6
67.01871	1.3
68.99569	1.1
69.03490	0.9
71.01379	4.6
72.99296	0.9
73.02937	1.5
79.01886	1.8
79.95728	1.3
80.96515	2.6
81.03448	1.3
82.95443	0.9
83.01387	1.8
84.95156	0.8
85.00434	2.5
85.02945	1.6
85.37129	0.6
87.00861	1.1
88.98806	12.4
88.99313	1.2
89.02457	1.8
94.98082	0.9
95.01391	1.7
96.96008	1.8
97.02962	0.9
101.02462	2.5
101.06137	0.8
107.01398	9.3
108.02173	1.7
109.02962	1.8
111.00880	2.5
112.98561	1.2
113.02465	1.2
114.93390	3.8
115.00362	0.9
116.92835	1.6
119.03505	0.6
123.00901	11.4
124.01662	2.1
125.02453	45.6
126.02811	1.3
127.00379	1.3
127.07647	0.8
136.98801	1.1
137.02443	1.7
139.00381	4.4
139.11240	0.8
140.01196	4.2
141.01926	0.9
149.02426	1.8
151.00377	6.8
151.04018	1.5
151.67131	0.6
152.01199	3.5
152.98647	0.6
153.01942	1.4
155.10866	0.7
161.02423	0.7
163.03932	0.9
164.04796	1.4
165.05475	1.0
166.99908	0.8
167.03499	3.4
168.00671	8.9
169.01434	58.7
169.12294	0.8
170.01765	3.3
171.10294	1.3
171.13921	1.6
174.31322	0.6
175.04031	0.6
177.01874	0.8
179.03563	0.9
181.05104	0.9
191.03448	0.7
193.01508	0.7
209.11768	1.2
211.02448	6.8
225.00778	0.9
225.11363	1.5
237.55655	0.6
243.12239	0.8
271.04526	5.1
289.07367	0.8
295.04663	1.2
313.05792	4.0
385.11459	1.2
441.81891	0.8
457.53223	0.7
485.16721	0.7
515.34155	1.2
567.24780	2.0
568.24817	0.8
585.25476	13.0
586.25452	3.1
682.66235	0.7
737.26630	100.0
738.26947	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	737.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
61.90064	0.9
65.41077	0.8
66.47400	0.7
67.04403	0.7
78.95914	0.9
87.04517	1.9
89.90745	0.8
93.60043	0.8
96.50904	0.8
97.02950	0.8
107.05060	1.4
109.02968	0.9
109.06609	1.8
109.31368	0.9
111.04524	9.0
112.04831	0.8
113.09761	2.9
123.08173	5.4
135.04659	1.1
139.04027	1.4
142.59244	1.0
147.08150	1.6
165.09291	4.1
167.07138	4.3
174.52376	0.9
179.10832	6.2
181.08711	23.0
183.06651	1.0
191.07132	1.2
193.08586	0.8
193.12523	0.9
195.06659	2.2
203.10774	2.2
205.08696	6.8
207.06688	1.2
209.08195	15.5
215.07013	1.0
217.12366	2.6
219.06601	0.9
221.08296	1.1
225.07655	1.3
229.08862	0.9
231.06615	1.1
232.07379	0.9
235.06161	1.1
241.12366	1.4
246.05380	3.6
247.06081	1.8
247.09686	1.2
248.06929	5.3
249.07565	4.0
257.08292	1.1
257.11862	0.9
259.06155	2.6
261.07742	5.0
261.11185	5.1
269.11884	1.5
271.09692	1.9
274.08511	3.6
277.21692	3.3
285.11404	2.8
287.09470	0.9
287.12650	1.1
288.06488	1.1
289.10840	47.2
290.11215	5.0
301.07178	2.0
303.12491	1.5
309.11502	1.1
313.10791	12.3
314.11353	1.7
315.08810	5.0
329.10364	2.3
329.17596	3.1
331.11917	5.5
353.10278	4.5
355.15515	2.3
357.09723	2.9
357.17148	2.9
359.11459	3.1
373.16553	19.5
374.16782	2.4
381.10135	1.0
383.15173	2.5
399.10831	1.8
401.16046	32.0
402.16476	4.6
410.13876	1.1
425.16104	8.2
426.16284	1.3
462.11600	0.9
469.15048	100.0
470.15433	14.9
470.21585	1.1
501.17621	29.7
502.18188	5.3
523.19727	20.0
524.20154	3.6
687.97260	1.0
705.28973	3.4
737.30591	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.0
57.11624	0.7
59.01376	1.8
60.99312	3.7
61.98838	3.6
62.81165	0.6
65.35555	0.6
69.53097	3.3
71.01395	1.0
80.96493	1.5
88.98809	19.9
89.02445	2.3
96.95988	0.7
122.56474	0.6
123.00863	1.7
125.02465	3.9
137.09776	3.9
139.00351	0.8
139.29495	0.6
151.00351	1.1
155.10786	23.0
156.11113	1.5
160.51390	0.6
163.11340	1.2
165.12843	4.6
168.00552	0.8
169.01434	5.7
181.08728	10.4
181.16003	2.4
182.09068	0.7
199.09709	1.4
207.13866	3.9
208.14221	0.8
209.11771	2.8
211.02510	1.5
225.14980	11.4
251.12782	3.0
269.13950	100.0
270.14288	9.0
271.04501	0.8
383.73782	0.6
402.81787	0.6
467.19257	19.6
468.19467	3.0
737.28815	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3761
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.5
60.98992	0.8
60.99311	16.7
61.98835	34.1
62.54834	0.4
71.01370	0.7
71.28059	0.4
74.13662	0.3
79.95741	1.3
80.91683	0.7
80.96525	2.1
83.63979	0.4
87.00893	0.7
88.98811	100.0
89.02382	0.4
89.99152	1.3
94.75747	0.4
94.98039	0.4
96.96005	1.8
101.02451	0.5
109.06554	0.4
116.92866	0.6
123.04553	0.5
125.02482	1.0
161.22289	0.4
164.04869	0.5
171.10326	0.5
193.08711	1.4
194.61600	0.4
209.08012	0.4
209.11897	0.8
211.13414	0.4
225.11282	0.6
257.80817	0.4
305.53238	0.5
318.02194	0.4
515.33881	1.5
584.30011	0.5
647.38818	0.4
650.67737	0.5
737.30719	3.1
738.31378	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3974
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.7
58.89673	1.8
59.01390	45.9
60.46242	2.1
60.99285	3.8
61.98818	8.1
62.38873	2.1
68.88120	2.8
69.41379	2.4
71.01382	29.4
73.02930	4.6
74.86642	2.0
79.90210	2.5
83.01366	2.8
85.02946	5.4
87.00867	6.1
88.98802	15.7
89.02441	25.7
97.02939	3.8
98.21728	5.4
101.02460	20.2
103.00392	21.7
113.02460	6.5
114.02824	2.9
114.96004	2.9
116.12856	2.4
116.92850	5.7
116.95953	2.8
119.03474	4.4
122.95207	2.3
125.02441	9.4
143.03453	2.9
145.02966	4.6
161.02499	4.6
161.04547	6.9
179.05548	3.3
205.33871	2.6
235.08253	10.1
261.52792	2.7
279.23300	96.5
280.23627	7.7
287.07779	3.4
305.08698	5.6
397.13504	100.0
398.13733	11.6
415.14569	37.6
539.34851	2.6
633.37903	7.2
634.37964	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	737.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17574	0.8
57.38011	0.8
59.01387	6.7
60.00106	0.8
69.03464	2.9
69.15532	7.3
71.01391	5.6
71.05018	2.0
71.37552	1.0
73.02969	1.3
85.02958	1.4
89.02465	2.7
95.01421	1.0
96.96030	3.5
97.02932	1.1
98.21749	1.1
101.02469	2.3
103.84586	0.9
113.02454	2.7
119.03494	1.2
123.08189	1.1
125.02534	1.0
125.09756	1.2
128.91742	1.0
143.77022	1.0
151.11333	2.2
153.12805	1.5
161.09689	2.7
179.10805	7.8
197.11842	90.9
198.12164	5.1
223.09764	1.6
241.10875	2.6
253.09296	3.5
277.21756	29.2
278.22165	3.3
316.64005	1.1
326.53488	0.9
459.18555	1.9
477.19986	4.1
695.64551	1.1
719.39417	1.1
737.41205	100.0
738.41583	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	737.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23391	0.8
59.01380	6.1
60.13968	0.7
67.01893	0.7
69.03471	5.6
69.31920	2.5
69.32351	2.9
71.01376	5.1
71.05019	1.2
73.02938	1.7
85.02995	1.9
87.00879	1.1
89.02460	2.7
97.03008	0.8
99.00870	0.9
101.02424	3.8
103.41780	0.7
106.53356	0.9
113.02422	1.8
116.42331	0.8
117.42117	0.8
123.08132	1.7
125.09738	2.3
140.70697	0.7
145.05168	0.8
151.11302	2.5
153.41335	0.8
159.70381	0.8
161.04567	1.0
161.09756	4.9
169.12381	1.0
179.10765	9.2
197.11845	52.4
198.12254	2.7
223.09703	0.8
241.10889	2.3
253.09303	2.8
275.60046	0.8
277.21744	66.9
278.22098	7.4
298.18103	0.8
300.02557	0.9
459.18683	1.6
477.20215	1.8
529.28894	0.8
567.64276	0.9
645.38922	1.0
737.41235	100.0
738.41620	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
61.50054	12.0
61.98819	33.1
62.92146	12.6
71.28481	13.0
71.28861	10.9
78.95918	22.8
94.83449	11.5
102.85690	11.4
111.04511	28.6
112.82826	12.2
125.06046	12.6
155.77370	11.0
181.08714	54.5
195.06651	24.9
207.06612	15.0
209.08206	56.9
209.11871	100.0
225.07666	28.4
227.12834	21.4
246.09164	12.2
255.23294	52.2
277.21628	16.0
478.67581	12.0
518.20142	13.7
519.02002	16.3
627.33362	14.3
706.53021	15.5
737.30493	24.6
737.42657	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	737.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44815	9.6
53.10947	9.2
71.28578	10.3
106.09711	11.4
111.04498	52.3
122.12535	10.2
125.02470	9.7
163.11223	8.1
165.05588	11.0
165.09215	11.3
179.07187	19.4
181.08705	63.9
195.06732	42.8
207.06613	16.3
209.08246	69.8
209.11769	60.4
221.08218	15.2
223.06133	14.1
225.07759	46.5
227.12837	15.4
233.08119	11.4
255.23239	100.0
275.09113	12.7
277.21741	14.4
279.23410	15.0
289.10815	21.4
401.15942	11.5
469.14792	29.3
473.18051	20.3
501.17615	81.3
502.17676	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	737.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03183	1.5
57.03452	24.1
83.05022	4.6
85.02960	4.9
85.06589	1.7
87.04514	9.0
93.60873	1.0
95.98427	0.9
98.22615	2.1
99.08175	1.6
109.06601	4.2
111.04508	8.4
111.08145	3.6
113.09733	100.0
114.10075	3.4
123.08179	1.8
127.07648	5.0
157.08701	7.9
161.16222	0.9
174.36801	0.9
179.10716	0.9
181.08707	50.1
182.09007	4.5
205.15956	2.6
207.06502	1.1
208.07480	1.3
209.08113	5.0
223.09828	1.4
224.67235	0.9
229.11159	1.3
259.17023	2.4
263.12762	2.5
277.14478	8.0
291.16055	1.3
299.20197	1.2
343.19144	50.1
344.19397	5.9
350.71756	1.0
385.62302	1.0
397.23822	2.5
501.28598	73.7
502.28986	17.6
555.33203	15.8
556.33777	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.5188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65271	0.4
59.01381	18.9
61.49178	0.4
65.47575	0.4
69.07525	2.9
69.07913	0.8
81.03462	6.5
81.23756	0.4
83.05033	17.8
104.44882	0.3
108.04562	0.7
108.69483	0.3
125.02416	0.4
125.07201	1.3
135.10226	0.4
143.08231	0.6
165.24817	0.3
207.15031	1.4
224.17706	2.3
225.16080	13.6
226.16342	0.9
242.18794	0.6
309.21707	0.7
324.26495	0.6
333.23141	0.8
339.08881	0.4
341.29282	1.0
367.27277	1.4
433.31796	1.4
450.34506	1.6
451.32925	8.0
452.33353	1.1
489.32068	0.6
522.41687	0.6
550.43353	1.0
559.39960	0.7
593.44122	0.5
622.57526	0.4
659.48340	2.2
660.49268	0.5
677.49695	100.0
678.49994	30.0
678.67139	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
58.13189	4.9
59.01380	11.0
61.98830	7.7
65.24811	4.3
69.57349	23.2
71.01385	5.3
73.33031	4.7
83.29095	4.8
94.09331	5.8
97.91177	5.6
99.92597	6.2
107.01402	7.1
123.00889	9.0
123.47094	4.7
125.02450	74.0
136.98830	5.2
139.04028	7.9
151.00452	6.9
160.03912	6.3
165.09206	17.8
169.01436	94.9
209.08197	23.3
313.05533	32.5
465.06723	20.5
466.50623	5.9
471.31113	16.3
517.31787	73.1
603.56696	6.2
675.15649	100.0
676.15979	33.8
739.05286	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	738.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	3.5
71.01376	1.9
79.01894	1.9
82.73894	1.6
83.01415	2.2
85.33579	1.7
101.02374	1.8
101.95745	2.0
107.01398	8.1
109.02945	2.1
111.00940	1.6
114.09293	2.5
123.00898	10.9
124.01697	2.1
125.02460	53.2
137.02461	2.4
139.00374	4.6
141.01932	1.6
141.33421	1.6
151.00343	5.9
151.04010	1.9
153.01961	1.9
157.87466	1.8
165.01822	1.8
165.05524	5.4
167.03476	2.2
168.00589	1.7
169.01436	60.4
170.01785	2.2
177.01985	3.4
183.02910	2.9
184.95462	1.9
250.33568	1.8
300.99899	3.9
313.05698	13.0
332.00192	1.8
347.15115	4.5
361.16510	7.2
649.15137	1.9
675.22968	100.0
676.23218	23.3
759.97375	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	738.356
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97333	0.1
61.98834	100.0
62.98546	0.2
62.99255	0.1
71.28331	0.1
77.88748	0.1
78.92444	0.1
88.98845	0.2
91.80141	0.1
96.96037	0.2
107.97443	0.1
107.98309	0.1
111.04459	0.1
137.09161	0.1
147.23152	0.1
209.11839	0.6
211.13539	0.2
227.12973	0.1
234.05075	0.1
253.09459	0.1
293.21323	0.3
306.43015	0.1
399.08063	0.1
405.86414	0.1
457.33270	0.1
738.42108	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3561
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51612	0.2
58.78965	0.2
61.68189	0.2
61.98833	100.0
62.98538	0.3
69.13068	0.4
69.13490	0.8
88.05524	0.2
88.98830	0.7
94.94939	0.2
111.18132	0.2
116.92863	0.8
124.49994	0.2
279.23288	0.2
484.28528	0.2
543.53131	0.2
589.60291	0.2
596.24518	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86917	0.8
59.01382	4.0
60.99303	1.6
61.98835	100.0
62.98551	0.8
71.01386	2.4
71.27917	1.1
72.99277	0.8
78.91896	0.8
80.91706	0.8
80.96513	2.5
82.95425	4.9
87.00866	1.1
88.98811	8.1
96.96050	1.6
101.02488	1.5
109.06631	1.2
116.92889	1.7
120.99688	0.9
121.02955	1.0
123.04529	2.9
125.02445	1.5
137.02516	1.4
150.03192	0.7
151.04015	1.2
151.26714	0.9
158.22101	0.7
163.11299	1.2
164.04739	0.9
169.01390	1.0
171.10300	1.0
177.09227	1.4
193.08693	5.2
207.10239	4.5
207.36481	0.8
208.10712	0.8
209.11855	9.0
223.13417	0.8
225.11325	2.9
227.12933	2.7
253.09422	1.6
371.15027	1.0
371.24326	1.5
413.92413	0.8
461.20081	1.3
583.64252	1.0
635.30585	3.0
653.31482	3.1
671.33777	3.7
672.32172	1.1
739.32275	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	739.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06936	0.8
57.77454	1.0
57.80357	1.0
59.01375	2.1
60.99310	18.2
61.98833	14.1
61.99334	0.9
88.98811	100.0
89.99163	1.3
99.00922	1.3
116.92896	2.0
146.73116	0.9
157.51253	1.0
161.02451	2.9
190.58049	1.0
225.11421	1.1
243.64670	0.9
277.21698	2.7
281.24918	1.7
316.10913	0.9
322.06192	1.0
397.13474	2.0
651.92749	1.2
676.39203	2.2
739.42523	3.5
740.43115	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.403
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43193	0.2
59.01400	0.4
60.51825	0.1
61.98834	100.0
69.51920	0.9
71.01389	0.4
72.99311	0.2
73.02953	0.4
75.00881	0.4
80.50778	0.2
80.96507	0.3
84.62888	0.1
88.98827	0.6
89.02441	0.2
96.96053	0.2
109.02945	0.2
116.92928	0.2
125.02482	0.4
169.01474	0.3
171.10298	0.3
209.11906	0.4
219.06606	0.4
231.71805	0.2
255.80205	0.2
395.87265	0.2
461.39871	0.2
473.32565	1.5
474.33099	0.8
475.33713	0.5
476.33881	0.6
517.32068	0.3
595.35724	0.2
739.28241	0.3
739.41339	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00295	3.9
55.01846	3.7
55.42943	3.7
59.01361	10.4
61.98817	5.1
63.90949	3.5
71.01385	82.8
73.02942	5.7
76.96059	3.6
78.06773	3.3
84.14816	3.5
84.52789	3.5
85.02946	6.4
87.00884	4.9
89.02444	5.5
98.22539	14.7
100.92857	3.8
101.02432	7.8
109.06577	15.1
111.04568	6.1
113.02415	5.5
115.24813	4.8
123.08141	3.4
125.09737	5.7
127.11357	4.9
143.03362	3.8
163.11307	11.8
166.02356	4.7
171.10283	65.1
178.54916	4.1
181.12346	6.9
185.11877	6.2
195.06680	5.1
197.11816	4.1
201.11336	50.4
207.10262	32.6
209.08119	11.3
225.07741	5.8
225.11298	57.8
243.12314	7.4
253.09236	18.5
277.21732	100.0
278.22025	15.5
303.99228	3.7
393.93759	4.3
421.75766	4.7
461.20453	11.0
503.19202	6.9
721.41132	5.0
738.12317	4.7
739.42731	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	739.4266
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44245	1.1
57.03428	1.6
59.01382	10.5
59.29038	1.2
61.98827	3.0
69.03474	1.6
71.01385	11.2
71.05020	3.1
71.28162	1.5
83.05000	1.4
85.02962	2.2
89.02466	4.9
95.05023	1.7
97.02962	4.2
97.06610	1.5
99.00892	14.0
101.02432	7.7
109.06592	2.2
113.02466	2.3
123.08140	1.1
125.09748	8.3
137.07849	1.2
142.02734	1.7
161.04510	1.6
163.11331	9.9
165.09258	1.7
171.10277	17.9
179.05484	1.4
179.10757	1.9
181.12360	19.2
182.12799	1.9
197.11777	2.9
199.13419	31.2
200.13745	1.9
201.11354	4.0
207.10269	39.1
208.10574	2.5
209.08211	4.6
211.13332	2.7
225.11328	78.2
226.11688	4.9
227.12828	2.5
235.08200	3.2
243.12413	16.4
244.12709	1.4
253.09151	8.0
265.10797	1.6
277.21738	69.2
278.22061	8.5
293.21350	2.7
426.70938	1.3
461.20465	13.0
462.20712	1.9
479.21332	3.4
721.41876	4.3
722.42639	2.0
739.42700	100.0
740.43060	31.1
754.33173	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54209	0.1
61.98835	100.0
62.98534	0.2
88.98852	0.1
209.11954	0.2
421.03668	0.2
694.10760	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
71.30292	0.3
85.00422	0.5
91.99850	0.3
94.82218	0.2
96.96017	0.3
101.36446	0.2
109.64867	0.2
116.92825	0.4
127.57922	0.2
153.41325	0.2
161.02467	0.3
203.34430	0.3
263.03931	0.3
278.76932	0.2
303.28433	0.3
321.60199	0.3
594.64563	0.3
677.38501	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4938
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59829	0.1
59.01382	0.5
61.98833	100.0
62.98531	0.3
69.06973	1.0
71.01402	0.2
83.05057	0.3
88.98826	0.7
91.13283	0.1
100.79806	0.1
121.03024	0.2
125.02505	0.4
141.81342	0.1
142.64169	0.1
165.01952	0.2
169.01555	0.1
204.75876	0.1
224.17747	0.1
364.93509	0.1
442.99216	0.1
453.32886	0.1
519.33813	0.4
615.80988	0.1
678.50610	0.4
679.50909	0.5
680.50574	2.4
681.51276	0.2
740.49731	1.1
741.50006	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68623	0.2
59.01365	0.7
60.99313	15.7
61.11288	0.2
61.98833	5.1
65.24498	0.2
67.37251	0.2
69.11914	0.5
69.12325	1.5
71.01397	0.4
71.17051	0.2
72.99313	0.2
75.60288	0.2
79.22466	0.2
87.00888	0.4
88.00386	0.4
88.98814	100.0
89.02452	2.6
89.99139	1.3
96.96040	0.3
101.02464	0.3
125.02451	0.2
165.05634	0.3
167.03461	0.4
391.71771	0.3
440.54703	0.3
489.32233	0.5
517.31873	0.3
518.32001	0.9
519.32672	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.371
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53765	0.2
59.01390	1.2
60.99310	17.0
61.98823	0.7
71.01369	0.7
77.38795	0.2
78.98296	0.2
85.02965	0.4
87.00888	0.4
88.98813	100.0
89.02457	3.0
89.99167	1.0
101.02458	0.6
108.02183	0.3
113.02425	0.4
113.81879	0.2
123.04541	0.6
125.02473	1.1
134.54945	0.2
136.31462	0.2
137.02492	0.2
146.16507	0.2
152.01137	1.0
161.04507	0.4
167.03534	1.9
169.01451	0.7
187.11310	0.3
195.06630	0.4
252.98387	0.2
313.05710	0.4
489.32556	0.4
494.04199	0.2
509.13211	1.2
509.19904	0.2
517.20221	0.2
519.33319	1.2
602.75616	0.2
640.89410	0.2
741.26404	0.6
742.26324	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.9
58.00577	2.9
59.01385	100.0
61.87872	1.3
65.84029	1.5
71.01389	64.7
72.99303	6.9
73.02946	3.4
83.01431	1.7
85.02971	9.6
87.00883	4.5
89.02454	90.0
95.01395	4.8
96.96037	4.5
101.02448	30.0
113.02457	24.1
119.03512	34.7
121.03000	1.7
123.00874	2.2
123.04504	2.8
125.02473	11.2
131.03500	5.9
136.01628	2.4
137.02432	3.0
143.03477	11.3
149.04578	4.2
150.03232	2.1
151.04025	4.2
161.02473	3.1
161.04596	12.3
167.03491	1.8
169.01485	5.1
175.03926	2.0
177.01944	2.5
179.05623	49.0
180.05992	3.6
219.64476	1.7
289.07336	2.4
300.99857	2.9
369.28107	1.8
372.70670	2.0
453.18433	1.9
471.41190	2.0
501.31995	2.9
519.33325	95.7
520.33490	17.3
625.30359	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	743.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56229	0.2
57.03449	0.5
59.01356	0.5
61.98840	0.4
65.00322	0.4
81.03465	2.8
81.86395	0.2
83.01380	0.7
85.82724	0.2
88.98801	0.7
91.99938	0.2
98.21822	0.4
99.08154	0.9
101.06077	0.4
104.37225	0.2
104.38300	0.2
107.01410	0.3
111.00885	0.4
114.55950	0.2
121.02975	0.4
123.04507	0.2
123.08163	1.7
125.02454	4.3
125.06088	3.8
136.05258	0.3
137.02391	0.4
141.09268	0.3
147.08191	1.0
149.02429	0.5
149.06110	0.3
151.00352	0.9
153.18684	0.2
165.09218	17.9
166.09526	1.0
169.01366	0.2
191.07179	1.2
205.08617	0.3
209.08195	100.0
210.08539	7.3
210.10147	0.1
233.08220	0.5
239.42166	0.3
251.09218	0.7
289.07297	0.3
289.12531	0.2
337.38882	0.2
371.13492	12.2
372.13812	1.6
520.33759	0.6
521.34351	0.5
659.21661	0.2
711.68304	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	6.0
57.03460	8.2
57.73457	4.3
59.01382	70.3
61.98825	14.6
62.60711	4.6
69.00693	37.7
69.01109	11.6
71.01376	8.2
73.02927	4.9
83.01401	47.0
86.39252	4.1
94.88116	4.8
95.05027	5.0
95.52828	4.3
96.95995	5.7
101.02441	7.3
103.88094	4.8
121.02961	19.7
122.03708	8.0
125.02426	9.2
135.04515	4.5
136.01682	76.5
137.02428	6.1
137.09760	8.0
147.04549	8.7
151.04016	76.0
152.04391	5.3
161.06145	4.8
161.09717	8.5
162.61288	5.3
163.07634	13.6
165.05508	5.0
175.03955	6.0
179.10802	5.9
181.08766	13.4
197.11887	13.2
221.08226	6.4
223.09778	14.4
229.08525	4.8
241.10793	8.5
291.72388	5.8
313.81903	5.1
327.12375	7.7
342.11008	8.8
343.11838	20.1
357.13480	100.0
358.14011	10.5
361.16403	7.9
385.15067	14.3
635.22571	6.3
743.29254	98.4
744.29535	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	10.7
69.33951	5.9
81.03461	1.4
83.01401	3.3
84.62016	1.0
93.03455	3.6
95.05039	2.6
97.02961	2.9
109.02970	12.7
121.02986	5.9
123.00909	2.1
123.04539	9.0
124.01703	2.0
125.02454	100.0
126.02797	5.1
130.39667	1.3
133.02994	2.0
135.04507	2.3
137.02448	17.7
139.04057	2.0
145.02962	4.2
149.02429	6.9
151.04025	8.6
159.04500	4.3
161.02417	5.0
161.06097	4.0
163.00374	3.0
163.04060	3.2
164.01230	3.4
165.01971	4.8
166.02582	1.2
167.03467	4.9
169.01453	16.1
170.01738	1.2
174.03172	1.3
175.04036	9.0
176.01071	1.0
177.01933	74.7
178.02296	4.6
179.03497	2.8
183.04565	1.3
185.06088	2.2
187.04059	6.2
188.04767	1.9
191.03539	1.9
193.01486	2.5
199.04005	3.1
201.05576	1.8
203.03568	1.3
203.07152	4.2
205.05150	4.1
211.04021	2.0
215.03465	1.8
217.05022	4.0
219.03067	2.1
221.08096	1.4
227.03506	2.6
227.07207	2.5
228.04192	1.7
229.05064	2.9
231.03123	1.4
237.05495	1.2
243.02963	10.1
244.03268	1.9
245.04640	1.3
245.08145	6.0
253.05151	2.8
255.02946	14.0
256.03735	5.4
257.04596	3.7
259.06168	2.0
261.04059	3.7
269.04639	3.1
271.06061	11.2
273.04034	1.6
281.04565	2.7
283.02438	2.7
285.04028	5.2
289.07208	39.0
290.07620	3.1
297.04007	1.6
301.03683	1.8
303.05011	10.6
305.06763	3.0
311.05600	1.3
315.05234	2.0
339.08633	1.9
381.09647	1.7
389.06616	7.9
407.07736	79.8
408.08063	12.0
423.07050	1.6
424.07523	1.3
425.08896	1.6
441.08307	10.7
442.08838	1.3
449.08710	2.4
450.09302	1.3
467.09918	10.6
467.36099	1.0
549.13666	1.5
559.08789	4.1
575.12054	2.9
577.09991	2.6
593.12634	7.8
594.13599	1.6
619.11060	3.1
660.62506	1.5
745.13715	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	745.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53410	1.2
57.03455	10.8
59.01385	1.2
61.98837	9.9
71.01402	1.3
71.29208	1.1
71.29603	1.6
77.30868	1.3
79.95770	1.2
83.01397	3.4
93.03460	2.3
95.01399	1.9
96.96026	4.1
97.02991	1.4
105.03493	1.8
109.02963	9.7
111.00854	1.3
121.02946	1.4
123.00942	2.1
123.04562	3.2
125.02459	100.0
126.02820	3.7
133.02962	3.6
135.04552	1.3
137.02460	19.5
139.04041	5.1
141.22447	1.1
144.91348	1.4
145.02982	1.5
149.02446	2.8
151.04007	6.7
159.04559	2.4
161.02446	27.9
162.02844	1.3
163.04056	2.3
164.01195	3.5
165.01929	7.6
167.03514	6.6
169.01443	20.1
175.03996	11.6
177.01955	14.4
177.05635	3.8
179.03542	4.8
189.01921	2.0
193.01505	1.7
193.04951	1.7
199.04022	3.6
201.01976	1.6
201.05568	2.4
203.03487	3.8
211.03883	1.2
213.15822	1.3
215.03490	2.4
217.05081	5.0
219.03038	2.4
219.06677	3.5
221.04631	1.6
225.05594	1.7
227.03542	5.1
229.01350	3.0
229.05035	2.2
236.97728	1.7
243.02966	12.0
243.06635	2.1
245.04539	4.9
247.02496	1.5
255.02988	8.8
256.03842	1.7
261.04077	3.0
261.07730	2.0
269.04608	8.0
273.04089	3.5
283.02502	3.4
285.04068	3.4
287.05661	16.2
289.07153	2.3
297.04135	4.3
300.99738	1.8
305.06680	27.4
306.06921	1.7
320.06158	1.5
389.84219	1.2
405.06207	4.3
406.06641	1.4
407.08044	3.4
423.07248	44.9
424.07556	7.9
425.08655	2.7
441.08093	2.3
449.08704	4.4
457.08008	4.6
467.09940	6.8
494.28207	1.5
575.11462	4.0
593.13092	9.8
594.13428	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	745.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	12.7
60.24548	0.6
64.35792	0.6
69.03461	1.0
69.14001	4.9
72.94104	0.6
81.03465	1.4
83.01403	3.4
87.94957	0.7
93.03474	1.4
95.01384	0.9
95.05029	1.4
97.02953	1.7
105.03481	2.4
107.05025	1.3
109.02964	6.7
111.04541	1.2
117.35743	0.6
119.04997	0.8
121.02976	2.2
123.00899	2.2
123.04552	2.4
124.01682	1.1
125.02459	100.0
126.02807	3.6
131.05028	1.6
133.02980	3.6
137.02454	13.2
139.04019	4.2
145.02986	0.7
149.02443	2.0
149.06088	1.0
151.04034	6.6
159.04527	1.7
160.01642	0.9
161.02460	27.4
162.02959	1.9
163.00397	1.8
163.04024	1.5
164.01205	2.5
165.01941	4.8
166.02472	0.7
167.03523	4.5
169.01436	18.4
170.01762	1.0
173.06021	0.7
175.04024	9.8
177.01956	13.6
177.05501	2.9
178.02371	0.7
179.03506	3.7
183.04622	1.3
187.03963	0.8
188.34543	0.7
189.01950	1.5
189.05682	1.0
193.01421	2.7
193.05103	1.8
199.03979	3.7
201.01964	1.8
201.05574	2.8
203.03528	2.7
204.04106	0.6
205.01425	1.7
205.05103	0.9
211.04059	0.6
213.05630	1.4
215.03493	2.0
217.05040	6.4
219.03015	2.2
219.06558	3.4
221.04659	1.0
225.05516	1.3
227.03580	3.3
229.01407	2.9
229.05064	0.9
241.04950	0.9
243.02989	11.3
243.05409	0.8
243.06610	1.5
244.03525	0.9
245.04495	4.8
245.08417	0.8
247.02582	0.8
255.03033	8.2
256.03531	1.3
257.04544	1.4
261.04025	3.0
261.07535	0.6
269.04562	10.3
270.05048	1.0
273.04074	0.9
274.04636	0.6
281.04800	0.6
283.02460	3.3
285.04031	2.5
287.05646	16.1
288.05954	1.6
289.07272	1.8
291.73535	0.6
297.04160	3.2
299.05652	0.9
305.03189	1.1
305.06674	22.5
306.07065	2.4
319.04614	1.1
331.04727	1.0
337.07300	0.6
347.07596	0.8
355.08096	0.7
379.08408	1.3
387.05157	1.3
405.06219	3.8
406.06738	0.8
407.07889	2.7
423.07233	37.5
424.07635	5.3
425.08917	3.1
431.08124	1.0
441.08386	1.9
449.08893	4.2
457.07870	2.9
467.09854	6.2
575.12311	4.8
576.12421	1.2
593.13391	6.5
594.13367	1.3
715.66388	0.7
745.14587	1.4
746.14978	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	2.0
59.01398	1.8
60.99300	4.1
61.98837	13.5
62.34343	1.6
69.17172	11.0
71.01374	5.9
72.99306	1.9
81.03458	2.6
82.95423	2.4
83.01384	2.5
84.92917	1.9
88.98811	31.1
96.95995	1.9
97.02969	1.8
101.02427	2.4
107.01373	5.9
111.04501	8.8
113.02487	3.4
113.09753	3.0
116.92852	5.9
123.00906	6.7
123.04531	2.4
125.02460	67.1
126.02797	2.5
136.05322	1.9
139.00339	2.6
150.66151	1.6
151.00391	4.6
151.07654	23.7
168.00656	4.8
168.99989	3.9
169.01436	81.0
170.01778	4.9
177.05659	2.7
179.07144	4.2
181.08728	13.8
195.06644	69.1
196.06941	3.2
196.40376	2.1
205.12260	2.2
209.08174	2.6
211.02495	8.3
219.06647	2.9
241.03615	4.8
249.11317	10.6
271.04623	9.3
313.05695	48.2
314.06107	3.5
330.12827	1.8
396.35178	1.9
439.08862	5.0
449.83124	2.3
487.86487	1.8
509.13034	100.0
510.13168	12.7
563.17993	14.1
564.18079	2.5
745.27179	89.0
746.27374	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	745.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.1
59.01370	4.9
61.86765	1.1
61.98845	6.5
65.00345	1.4
70.52636	1.0
71.01379	2.3
71.28366	1.4
77.28532	1.2
81.03460	3.2
83.01386	3.1
85.02921	1.2
85.06572	1.2
87.00884	1.1
87.04527	1.7
88.98808	1.9
95.01431	1.4
95.04988	1.2
96.96016	1.8
97.02979	1.9
101.02438	2.7
103.01496	3.9
105.05880	1.1
107.01422	7.4
109.06588	4.8
111.00913	1.4
111.04543	8.3
113.02451	1.9
113.09735	3.1
123.00889	5.4
123.04485	1.7
124.01672	1.6
125.02458	63.2
125.09733	1.3
126.02797	3.1
136.05284	1.3
139.00388	3.4
140.01152	2.0
141.01938	1.1
151.00389	4.6
151.06427	1.8
151.07657	33.8
152.07997	1.5
153.05588	1.3
167.03465	1.6
168.00717	2.3
169.01443	59.9
170.01755	2.8
177.05539	1.7
179.07149	3.1
181.08696	11.9
191.03404	1.1
192.98210	1.1
195.06638	100.0
196.06946	6.0
205.12398	1.6
219.06656	1.6
237.07718	1.6
249.11311	12.9
253.03516	1.3
271.04581	1.9
293.16684	1.2
313.05676	29.4
314.06015	2.8
316.16742	1.1
357.60330	1.1
363.39047	1.2
396.31213	1.3
509.13019	69.8
510.13425	8.9
563.17920	6.9
745.27161	79.6
746.27423	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.1
57.03443	3.0
58.00591	1.7
59.01386	14.8
65.40713	0.7
71.01389	16.9
71.28450	0.7
72.99327	1.8
73.02953	6.3
83.01407	4.9
85.02961	11.3
86.00096	2.0
87.00869	1.9
89.02450	4.6
93.03451	1.0
93.04863	0.8
93.21174	0.7
95.01392	1.5
96.95998	1.0
99.00896	2.8
101.02454	19.9
109.02978	2.0
111.00919	1.6
113.02476	6.4
119.03503	1.6
123.04552	1.7
125.02451	10.9
126.02814	0.9
130.69904	0.7
137.02464	7.1
140.55362	0.6
145.59828	0.7
149.02521	0.9
150.03259	1.0
151.04036	2.0
152.04771	0.8
157.39265	0.8
161.02449	1.2
161.04616	1.0
163.00372	0.8
163.03998	2.5
164.04820	2.0
165.05527	1.4
166.64882	0.6
167.03563	0.7
169.01434	2.6
174.84225	0.7
175.04015	0.8
177.01939	6.2
178.06297	1.6
179.03554	1.0
181.05072	14.3
190.00612	0.7
194.05801	1.7
196.07423	22.0
197.08002	2.8
199.70970	0.7
209.08177	2.2
211.09772	41.1
212.10173	1.7
243.03043	1.0
255.02831	0.9
271.06168	1.4
289.07294	2.5
293.06717	0.7
300.99969	1.0
303.05154	1.0
358.12750	7.1
359.14108	0.9
373.15045	80.2
374.15424	8.0
387.09018	1.1
407.07770	6.2
421.18753	0.8
423.07510	0.8
441.08392	1.2
467.09851	0.8
497.12418	0.8
583.23969	100.0
584.24323	18.1
593.12616	0.8
745.18237	1.9
774.67706	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.9
57.72335	0.4
59.01384	5.4
60.99314	0.5
61.98835	8.4
66.80560	0.4
69.03445	1.3
71.01388	3.6
71.05010	0.4
71.28483	0.6
73.02958	1.1
73.20452	0.4
81.03448	0.4
82.95417	0.4
83.01394	0.9
84.02184	0.5
85.02953	1.7
87.00853	0.5
87.69580	0.4
88.98797	3.4
89.02443	1.3
95.01395	0.6
95.05042	0.5
96.96008	1.9
99.00881	0.6
99.04493	0.4
101.02448	3.1
107.01421	0.5
107.68020	0.3
108.02214	0.7
109.02972	2.9
111.00918	0.5
111.46022	0.4
113.02442	2.2
116.92887	0.9
118.96023	0.4
121.02965	1.5
123.00898	3.2
123.04540	1.2
124.01733	0.8
125.02460	4.9
126.02855	0.4
131.03337	0.4
133.02914	0.5
133.17769	0.4
134.03706	0.5
135.04512	1.3
136.01656	0.4
137.02455	11.6
138.03053	0.4
139.00407	0.6
139.04039	0.9
139.11322	3.8
140.11655	0.5
147.04558	0.7
149.02472	2.7
149.06148	0.7
150.03210	1.2
151.00383	21.1
151.03963	2.1
152.01154	2.0
152.04784	2.8
153.01981	0.6
153.05557	0.6
159.04491	0.5
160.05269	0.7
161.02480	0.8
161.04585	1.7
163.04034	0.6
163.11270	0.6
164.04768	2.8
165.01978	1.2
165.05522	0.8
166.02724	64.7
167.03238	4.6
168.00562	0.7
168.03961	0.5
169.01430	4.3
173.02487	0.6
175.03987	1.7
177.01959	4.2
177.05673	0.5
178.02631	0.7
179.03500	1.3
179.07137	1.6
181.05078	75.9
182.05380	4.4
183.02953	0.6
183.10275	12.8
184.03815	1.0
184.10608	1.2
185.11980	0.5
188.04781	0.5
189.05594	0.7
190.02744	1.4
190.06371	0.9
191.03537	1.3
192.04282	1.1
193.05084	1.3
195.03008	0.6
195.06544	0.6
205.05086	2.3
205.08705	1.1
207.06615	1.4
207.10080	0.5
209.04533	0.8
209.08238	0.6
209.11870	1.0
217.05035	0.4
219.06607	0.5
225.11375	1.2
227.06966	0.6
227.12967	0.6
233.08157	0.6
285.20633	0.7
298.04764	3.0
301.07025	0.4
313.07184	3.7
314.07721	1.0
329.10568	0.6
339.25531	1.0
341.10376	0.6
357.26462	7.2
358.26743	0.7
359.11304	2.1
371.24426	0.6
373.15341	0.4
373.25815	2.4
375.27594	3.3
376.27472	0.5
387.10831	15.7
388.11160	2.0
389.14752	0.5
399.27319	0.6
402.13162	6.3
403.13693	1.1
417.15570	100.0
418.15909	16.5
565.19000	1.0
583.17999	0.8
707.25244	1.3
708.26593	0.5
745.23053	0.8
745.32886	0.6
745.44037	5.5
746.27802	0.5
746.44324	1.2
754.71930	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.287
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83767	1.2
57.03435	1.5
58.00589	5.0
59.01383	100.0
61.98824	4.7
65.62370	1.1
68.82362	1.1
71.01386	68.0
72.99303	7.2
73.02940	1.8
83.01402	3.4
85.02953	9.3
87.00890	4.5
88.98870	1.4
89.02451	92.5
90.02770	1.6
92.35692	1.1
93.03442	2.9
95.01378	5.9
96.95995	1.9
101.02453	34.3
108.02193	2.3
109.02969	1.8
112.82487	1.2
113.02457	28.3
119.03510	44.0
120.49313	1.2
121.02977	4.4
122.03759	10.4
125.02464	4.5
131.03529	3.8
133.02965	2.5
135.04503	2.8
138.03201	1.3
143.03558	6.6
149.02466	15.3
149.04593	3.3
150.03233	63.1
151.03699	3.7
152.01155	3.0
153.01884	1.4
160.01796	1.3
161.02391	2.2
161.04597	5.4
164.04741	1.9
165.04170	2.3
165.05573	47.4
166.05975	3.3
177.01909	1.4
179.05652	13.2
179.07164	2.0
180.04314	3.1
195.06635	33.1
196.06966	1.6
270.09018	3.6
282.09015	1.3
285.11301	2.4
298.08429	1.4
310.08609	1.5
311.09006	1.4
313.11087	1.7
324.09906	1.3
325.10684	1.2
326.07977	2.4
341.10324	15.8
341.14120	2.0
342.10651	2.0
356.12656	6.8
357.13220	2.1
371.15018	32.3
372.15363	3.5
433.63971	1.4
519.20703	1.9
604.61450	1.3
639.66180	1.4
699.26428	1.4
747.31293	1.7
748.31616	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	747.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.9
59.01383	42.8
60.99313	4.8
61.98835	25.2
69.03473	1.9
69.13854	9.5
69.14260	2.5
71.01396	14.3
72.99326	2.5
73.02946	6.4
82.95425	1.7
83.01382	2.8
85.02966	6.8
87.00875	3.4
88.98811	24.7
89.02439	3.3
93.03459	1.8
95.05051	1.7
96.96024	14.0
98.21767	3.1
99.00876	2.2
101.02451	6.2
108.02187	2.3
109.02971	3.3
113.02479	3.6
116.92884	3.3
121.02995	5.9
123.00883	2.9
123.04557	3.6
125.02467	7.5
135.04555	2.1
136.01608	1.6
137.02478	4.9
137.09892	2.5
139.11299	43.5
139.12343	3.3
149.02452	1.9
150.03268	1.8
151.00378	6.9
151.04039	3.5
161.02428	2.6
163.00484	2.4
163.04041	2.8
163.11320	2.7
164.04843	3.5
165.09224	2.9
166.02783	11.4
167.03125	5.1
168.03380	2.0
169.01459	2.0
177.05627	2.0
179.03447	2.1
180.50095	1.7
181.05101	15.9
181.12378	11.7
182.05396	4.7
183.10287	32.9
184.10600	3.1
190.02682	1.7
194.05878	2.2
201.88074	1.7
225.11342	6.1
227.07248	2.1
243.12335	17.7
255.06572	2.6
265.08603	1.9
268.07376	1.9
269.08151	8.4
270.08966	3.6
271.09668	2.0
281.08142	6.9
282.08896	2.4
283.09879	5.3
285.13544	5.1
295.09714	2.0
297.97562	2.8
299.09131	2.9
300.10098	2.8
309.11359	2.4
311.09332	3.2
312.99982	5.7
313.03455	2.5
314.08167	2.0
314.11609	6.5
315.12057	3.8
326.11703	6.1
327.12448	5.4
328.02240	6.0
329.14087	11.2
330.14404	2.6
341.14075	8.8
343.04648	7.8
343.11807	3.3
345.15503	6.6
356.12454	2.2
359.15109	6.3
375.27527	3.9
376.27579	2.9
388.11237	2.9
403.13721	2.0
405.17862	8.1
417.15726	9.1
418.15967	12.1
419.16367	14.1
458.15988	8.1
459.16507	5.3
459.60095	1.7
471.16370	3.0
473.18265	16.2
476.17072	3.8
477.18048	4.8
485.18320	11.2
486.18640	2.6
491.19388	6.8
492.19238	1.9
503.19473	4.8
567.20422	2.5
657.19232	2.2
657.29431	9.3
669.29456	7.2
699.30420	4.9
711.30109	4.9
717.31360	49.3
718.31830	13.4
729.31274	27.5
730.31641	5.6
747.32404	100.0
748.32654	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	3.9
59.01381	22.6
61.98823	3.5
71.01382	5.0
73.02959	5.1
80.26295	1.0
85.02962	1.3
87.00899	2.6
93.03481	2.2
96.96036	1.5
97.02966	1.2
99.04533	2.1
100.54041	1.1
101.02480	2.4
108.02204	1.9
109.02969	9.1
109.06665	1.1
113.02438	1.8
119.08649	1.4
121.02969	19.4
121.06606	1.8
122.03762	15.9
123.00852	1.5
123.04524	5.2
124.01714	2.9
125.02453	5.3
129.03468	1.4
134.03763	1.9
135.04530	3.6
135.08191	3.5
136.01711	1.8
136.05269	1.2
137.02486	4.5
137.09737	7.7
146.03851	1.5
147.04538	11.1
148.05341	2.2
149.02435	1.5
149.06146	2.1
149.09781	1.7
150.03276	2.6
151.04082	2.2
153.05592	1.1
154.02754	3.5
161.02481	1.3
161.06175	3.6
161.09761	5.5
162.03271	2.6
163.04036	1.9
163.07637	9.3
164.04785	1.7
165.05585	37.1
166.05997	1.8
167.03522	1.0
168.04195	1.3
169.01414	2.6
175.07713	1.0
177.05603	4.0
177.09335	2.0
177.51884	1.2
179.07162	12.3
179.10727	5.3
180.07840	1.0
181.08728	9.7
191.07251	1.3
193.05070	2.5
195.06648	1.7
197.11815	6.0
203.10866	1.2
205.08727	1.2
209.08194	1.5
223.09760	11.8
241.10806	6.3
247.09779	2.5
265.10880	3.5
283.11969	1.8
289.11005	1.2
298.12219	1.3
307.11838	2.5
315.12466	2.9
316.12881	1.2
325.13208	1.8
346.14249	15.2
347.15036	12.6
361.16577	100.0
362.16833	12.4
385.15167	7.3
499.84952	1.2
676.44867	1.4
729.31036	1.6
747.32471	85.8
748.32751	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	747.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
59.12016	0.7
61.98833	3.8
62.30190	0.6
62.30537	0.7
66.69064	0.6
68.99577	100.0
71.30244	1.1
82.95428	0.9
96.96005	1.2
102.97438	0.7
109.03000	0.7
112.98574	98.6
113.98911	0.9
133.02954	1.8
137.02458	1.2
161.02455	6.0
171.00827	0.7
564.85876	0.7
633.38007	8.4
634.37628	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	747.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26112	0.9
59.80491	0.8
61.98812	2.6
68.99576	100.0
71.29796	0.9
71.30197	1.2
79.69805	0.8
96.95993	1.9
99.92603	1.5
109.46394	0.7
112.98575	91.7
115.92071	1.2
116.92802	1.0
117.03452	1.1
133.02969	2.3
133.81989	0.8
135.04485	1.3
145.03011	1.2
161.02473	4.9
179.03479	1.2
185.06781	0.8
198.34557	0.8
210.61061	0.9
222.33325	0.8
368.06042	0.9
403.72546	0.8
633.38104	10.0
634.38245	2.4
747.28308	1.8
776.10846	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4538
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	14.7
71.01079	1.8
71.01395	18.4
71.32669	2.0
72.99298	8.1
73.02943	1.9
75.00878	25.7
81.03469	2.1
83.04990	5.2
84.02159	2.0
85.02956	19.2
87.00885	6.0
89.02456	3.9
95.01374	5.8
99.00885	12.7
113.02456	26.4
115.00372	2.1
117.01893	2.5
125.02385	2.3
129.01913	2.5
148.55640	1.9
163.11342	4.0
175.02478	3.6
181.08722	5.3
183.06793	2.2
185.88539	2.0
195.06647	3.6
209.11836	79.5
210.12177	2.5
227.12932	6.0
255.23311	54.1
256.23590	6.1
299.92465	2.7
355.11740	2.7
402.00357	2.3
431.66776	2.2
477.19669	2.5
533.82617	2.9
715.42706	100.0
716.43213	26.1
747.45679	50.9
748.45819	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	748.5139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59605	3.3
58.60721	3.6
59.01385	31.1
67.76088	3.2
67.99197	3.1
71.01389	26.4
72.62850	3.1
72.99296	3.6
73.92036	3.6
79.12876	3.4
80.64469	3.4
89.02443	28.6
98.21766	10.8
101.02458	14.0
113.02478	12.6
119.03506	14.8
136.88972	3.3
138.48004	3.0
160.55806	3.6
172.57219	3.3
179.05598	10.4
225.22186	6.2
229.10054	4.3
242.56230	3.3
271.22736	3.8
532.47559	19.9
533.47595	4.7
550.48322	9.4
643.37756	4.3
643.47131	3.9
712.53650	100.0
713.54095	30.7
748.51636	18.4
749.51752	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	748.5139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	34.4
61.98829	2.6
67.77612	2.2
67.80302	2.0
71.01393	25.0
72.99313	3.4
77.51513	2.3
89.02455	25.9
98.21706	4.2
101.02461	18.4
107.72243	2.3
113.02471	10.9
116.71737	1.9
119.03516	14.5
131.50465	2.2
151.13248	2.1
156.35231	2.1
161.04602	3.9
179.05623	9.6
211.90697	2.5
225.22264	6.3
253.21617	3.3
271.22916	3.1
303.87692	2.2
532.47241	20.3
533.47565	5.1
550.48358	9.9
659.29388	2.6
712.41162	5.1
712.53668	100.0
713.54114	32.8
748.51294	20.2
749.51367	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	749.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.5
57.03439	1.8
59.01382	1.4
62.34671	1.1
64.50266	1.1
67.01905	1.9
69.03462	1.3
71.01389	6.1
71.27762	1.2
71.28991	1.5
73.00258	1.3
73.20712	1.1
75.86900	1.1
79.01894	1.6
81.03500	1.6
83.01415	1.5
85.02995	1.4
88.02924	1.5
92.14728	1.3
93.03470	1.5
95.01379	2.8
96.95994	1.7
97.02928	2.5
107.01397	16.9
109.02989	2.0
109.20995	1.2
111.00902	3.4
121.02964	2.4
123.00890	14.4
123.04499	1.5
124.01683	3.4
125.02457	100.0
126.02782	4.1
127.00368	2.3
135.62003	1.2
136.98834	2.6
137.02464	5.3
138.03284	1.6
139.00391	6.4
139.04059	4.1
140.01178	6.2
141.01892	1.7
147.04494	1.7
151.00383	13.3
151.03998	2.7
161.02481	3.0
165.01923	2.4
166.02722	7.9
167.03520	8.2
168.00645	7.5
169.01436	97.3
170.01808	4.3
175.03996	6.7
177.01952	6.4
181.05035	9.1
183.02995	6.3
184.80579	1.4
190.06427	3.4
211.02554	3.0
241.03452	3.1
243.03110	1.8
275.01953	1.5
289.07077	1.8
297.06503	2.0
299.99472	1.4
300.99805	3.6
305.06705	1.7
313.05704	23.6
327.07874	1.8
342.11142	2.7
343.11511	2.4
357.13544	2.1
376.98627	1.3
399.27707	1.4
495.11801	3.3
643.95996	1.5
719.22052	15.0
720.22272	2.9
749.23022	97.5
750.23346	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	749.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.9
57.03442	1.4
59.01387	17.0
61.78149	0.7
70.40313	1.4
71.01385	15.5
72.99295	1.5
73.02940	2.5
83.01395	2.3
85.02959	5.3
89.02448	10.4
95.01386	2.6
95.05022	0.8
97.02966	0.8
97.65409	0.7
98.22507	1.0
99.00919	0.7
99.90853	0.6
101.02451	11.3
109.02956	3.1
111.04517	0.9
113.02473	5.2
119.03477	4.4
120.63387	0.7
121.02988	1.2
121.90644	0.6
123.00928	1.4
123.04510	0.7
124.01659	1.1
125.02453	20.9
126.02785	1.0
129.90390	0.7
131.59576	0.7
134.74707	0.7
137.02470	4.8
139.04005	2.9
149.02464	0.8
151.04071	0.7
161.02483	1.6
161.04610	0.9
164.01096	1.8
165.01941	3.0
167.03523	4.9
167.04688	0.8
168.03719	0.6
169.01462	1.6
175.03989	0.7
177.01924	2.5
179.03493	2.9
196.13908	0.6
203.03545	1.0
211.58272	0.6
219.06602	2.3
221.04626	1.2
237.15002	0.8
247.25394	0.7
249.04088	0.7
275.02029	0.7
285.04276	0.7
289.07480	0.8
300.99905	1.1
305.06726	14.8
306.07080	1.6
443.19241	100.0
444.19604	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	749.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65386	0.1
61.98802	0.1
96.96012	0.3
99.92591	11.0
100.59571	0.1
100.92603	0.7
100.93268	0.1
102.81818	0.1
114.93403	0.7
116.92872	100.0
117.92878	5.6
133.02945	0.1
137.02475	0.1
164.57764	0.1
384.37338	0.1
731.28491	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54002	0.8
61.98846	1.0
68.99596	0.8
69.89543	0.8
71.30141	1.1
73.53200	0.8
74.08031	0.9
99.00848	0.9
99.92593	13.5
100.92583	1.7
114.93373	0.8
116.92872	100.0
117.92174	1.1
117.92878	6.6
134.45877	0.9
200.98636	0.8
206.17841	0.7
344.88269	0.8
371.50620	0.9
386.61261	0.9
471.07712	1.0
518.37683	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42640	0.2
54.80845	0.2
58.19870	0.2
61.98838	0.4
76.27124	0.2
78.82809	0.2
79.91853	0.2
80.29860	0.2
82.95424	0.8
94.92490	0.2
95.70423	0.2
96.96075	0.3
99.92594	11.7
100.92607	0.7
105.19457	0.2
114.93456	0.5
115.92104	0.3
116.92874	100.0
117.92880	5.9
134.67264	0.2
137.02472	0.3
173.24738	0.2
229.35397	0.3
244.79132	0.2
271.16153	0.2
302.66611	0.2
531.31555	0.2
541.30530	0.2
588.36444	0.2
631.36481	0.3
702.09515	0.2
731.29382	0.3
749.29626	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.7
55.28015	0.8
57.03434	1.7
59.01382	16.9
61.98834	32.0
63.47467	0.8
69.03465	0.9
70.90250	0.7
71.01387	13.2
72.99298	1.5
73.02959	4.1
75.00876	2.6
79.98898	0.7
81.03463	1.2
83.01405	2.1
85.02963	6.3
87.00869	3.9
87.04546	1.5
88.98807	1.4
89.02468	2.6
93.03490	0.8
95.01387	2.4
95.05055	1.0
96.96005	3.5
97.02996	1.6
97.06640	0.8
99.00883	2.2
101.02430	6.8
103.01475	0.8
105.15771	0.7
107.01417	2.3
108.02209	1.5
109.02958	0.9
109.06603	1.6
111.00906	1.9
113.02457	3.8
116.92883	1.6
121.02957	1.2
122.03754	5.7
123.00093	0.7
123.00856	4.0
123.04547	2.7
124.01704	2.1
125.02457	16.0
135.04539	7.3
136.01646	0.8
137.02470	3.4
139.00417	1.5
139.11304	17.7
139.12338	1.3
140.01233	0.9
140.11591	1.7
147.04535	1.3
148.05325	2.8
149.02438	1.1
149.06076	5.9
151.00377	0.9
151.04083	2.1
163.11314	1.5
164.04869	1.6
165.01883	1.5
165.09297	1.3
166.06339	1.5
166.99896	2.3
167.07143	60.1
168.00655	1.2
168.07500	3.3
169.01421	15.8
171.10297	1.1
177.05630	0.9
179.07158	1.5
181.05084	1.0
181.12370	5.1
183.10274	11.0
190.99799	0.9
193.01434	1.0
195.06641	2.5
195.10318	0.8
197.11880	1.3
197.51213	0.8
207.10309	1.0
208.07208	0.8
209.08206	5.6
209.11896	3.0
211.02412	3.7
225.11298	5.5
227.12944	1.2
243.12425	3.1
251.09280	3.7
271.04639	2.1
281.10431	1.2
311.11377	49.1
312.11725	6.7
329.12408	43.5
330.12790	4.0
357.26489	1.1
423.05591	2.8
483.07861	7.2
484.08176	1.5
495.22424	5.7
496.22559	0.9
505.20844	9.7
506.21439	1.7
523.21936	3.3
529.15234	0.9
553.22925	0.9
555.24591	3.5
683.25000	1.0
689.31952	8.7
690.32239	3.3
703.18567	1.5
717.20367	1.5
731.21893	1.2
731.32782	6.2
732.33319	2.1
749.33911	100.0
750.34314	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39191	0.1
56.91591	0.1
58.36701	0.1
61.98834	100.0
62.98525	0.2
69.50970	0.7
77.09637	0.1
80.91652	0.2
89.02480	0.1
96.96020	1.1
109.70208	0.1
110.35780	0.1
116.92890	0.2
125.02429	0.2
146.72821	0.1
149.20940	0.1
169.53430	0.1
197.11961	0.2
209.11931	0.4
261.96588	0.1
328.95432	0.1
362.62436	0.1
396.03668	0.1
482.03265	0.1
651.98975	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	750.4437
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74052	0.6
59.01383	1.7
59.78410	0.6
65.87300	0.6
71.01384	1.7
71.52545	0.5
89.02454	1.1
101.02468	1.5
111.04514	1.2
113.02452	0.9
125.02436	0.7
139.86232	0.7
179.07274	0.6
181.08725	1.6
183.13898	5.1
193.12321	1.5
195.06604	1.4
207.06528	0.7
209.08205	2.5
211.13405	100.0
212.13721	6.0
219.06656	0.7
235.06177	0.8
235.08318	1.3
253.09291	7.3
270.85730	0.7
277.21732	55.8
278.22086	6.2
429.21286	1.6
447.22351	8.0
448.22827	0.9
470.70132	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.4774
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97458	0.7
61.98838	8.3
66.03478	1.6
69.21350	6.1
70.02985	1.6
80.38588	0.8
82.06639	3.4
87.05643	6.8
96.00922	10.9
97.04078	0.9
98.02501	3.3
109.01698	1.4
111.02021	2.8
112.07708	2.9
113.03608	3.2
120.48308	0.9
121.04063	5.3
122.02468	1.1
122.09752	1.2
123.03305	2.6
125.09761	0.9
129.10350	32.6
130.08765	3.2
130.10669	1.8
134.03183	1.0
138.08165	1.1
138.09251	2.0
139.08788	7.9
139.52498	1.0
140.07185	3.5
153.06706	1.7
153.10324	2.4
155.08272	8.6
155.11961	2.4
164.09544	10.7
165.10336	9.4
166.08730	22.1
179.10890	0.9
180.11388	1.2
181.09848	1.7
182.13051	2.8
183.11391	8.0
195.15031	2.3
197.16650	5.8
200.14061	6.4
207.15050	33.4
208.13464	1.6
208.15369	2.5
209.09317	3.5
223.12148	1.1
223.14436	0.9
224.17680	19.0
225.16113	5.2
225.18080	1.7
226.12000	1.6
235.18208	1.9
236.14294	1.6
236.16446	4.5
240.17296	1.6
242.18752	22.5
243.19078	1.7
252.20909	1.1
254.15060	1.5
268.16754	3.0
279.17184	4.8
295.21332	7.6
310.25058	2.3
313.22540	4.6
331.25119	1.0
337.19171	1.6
337.26096	18.9
339.20306	2.2
355.27112	5.7
374.24542	1.7
380.24240	1.1
381.24954	2.0
392.25510	4.1
450.27533	1.8
450.34595	2.7
463.29492	3.0
468.35678	3.7
469.36578	1.2
480.32217	1.4
494.33151	1.8
506.29880	1.6
523.32593	1.5
539.39435	2.1
540.39630	1.3
565.37079	3.1
706.49286	1.1
714.46088	2.2
732.46661	81.9
733.46771	20.6
750.47736	100.0
751.47961	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	751.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
57.77548	0.8
59.01377	0.7
61.98831	6.4
74.89832	0.6
76.31406	0.7
79.95753	10.1
82.36893	0.7
96.96021	100.0
98.21707	1.6
104.27905	0.7
105.64405	0.7
108.02178	1.3
109.02901	1.7
110.97588	4.7
121.02977	1.8
121.81810	0.8
123.00864	1.3
123.02184	0.7
123.04550	3.6
125.02435	2.0
139.00398	0.9
149.02446	0.9
150.03276	0.9
151.00365	1.0
151.03848	0.7
152.01164	1.5
153.01988	1.3
154.96732	0.7
158.29034	0.8
161.02457	0.7
165.05640	2.1
166.02858	0.7
167.03508	7.4
168.03793	0.9
169.01460	1.3
170.65303	0.8
181.05080	1.0
207.82079	1.0
209.04535	1.1
271.09937	0.9
306.37851	0.9
340.22928	0.7
552.00354	1.0
601.16315	1.0
751.19177	38.1
752.19501	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	751.246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69470	1.4
57.03464	1.0
67.01884	1.9
69.03454	2.9
71.01401	5.7
71.29309	2.1
79.01869	1.3
83.01413	2.7
88.98824	4.2
95.01414	3.7
97.02969	2.0
101.02445	2.1
107.01392	17.7
109.02990	3.7
111.00904	4.8
123.00913	14.9
123.04488	1.9
124.01701	3.2
125.02458	90.1
126.02768	2.4
127.00376	2.5
135.04536	2.3
136.98854	3.8
137.02441	23.7
138.03264	2.8
139.00381	8.2
139.04012	5.2
140.01184	7.1
141.01987	1.7
151.00371	9.8
151.04050	3.7
152.04803	3.0
153.01921	2.4
153.05630	1.8
165.05600	1.9
166.99908	1.5
167.03491	2.6
168.00668	9.2
169.01442	100.0
170.01860	5.1
176.04898	1.5
179.03510	28.0
180.04291	8.7
182.94704	1.3
183.03052	9.3
184.03775	1.6
194.05865	19.6
195.06619	6.4
197.04518	1.9
209.08194	9.4
211.02478	2.0
212.06987	10.3
213.07602	2.3
227.09271	7.0
241.03589	2.0
265.10327	1.2
297.06284	3.4
300.99738	2.2
313.05646	27.1
314.05975	2.5
327.07361	5.7
347.15125	5.5
523.14612	71.7
524.14905	10.5
537.15900	3.1
538.16357	1.8
653.71832	1.6
661.21289	7.5
751.24567	92.7
752.24982	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	751.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11806	1.0
56.67760	1.0
59.01366	2.3
65.43620	1.0
67.01871	1.7
69.11291	6.6
69.11700	2.2
71.01367	5.7
72.99271	1.0
79.01921	1.6
83.01397	1.9
85.02964	2.5
88.61849	0.9
95.01382	3.0
97.02966	2.8
98.22518	2.2
101.02496	2.0
107.01402	20.0
111.00885	4.5
113.02465	1.9
123.00887	14.7
124.01729	2.1
125.02455	87.8
126.02777	4.1
127.00380	2.2
136.98813	2.2
137.02463	4.4
138.03142	1.3
139.00363	7.4
139.04008	3.3
140.01181	6.1
151.00424	7.6
151.03973	2.0
161.02429	2.2
165.01950	11.7
166.02719	4.3
166.99857	1.9
167.03528	1.4
168.00630	11.4
169.01436	100.0
170.01776	5.3
177.02034	1.1
178.02769	1.3
179.03471	5.5
180.04318	6.0
181.01469	1.3
181.05093	18.4
182.05803	5.4
183.02974	10.4
192.04263	1.6
194.05829	1.3
195.03062	2.6
195.05084	1.2
195.06592	7.0
196.07346	7.2
197.04478	1.4
197.08170	2.1
207.06598	1.6
209.08159	1.8
211.02522	2.8
211.09766	3.5
223.93683	1.1
225.07788	1.2
241.03549	2.9
271.04620	1.1
297.06287	2.0
313.05695	27.4
314.06003	3.2
327.07303	7.1
342.77234	1.3
374.13464	1.2
521.13190	1.6
539.14111	31.2
540.14496	3.6
553.15503	3.3
570.82343	1.2
585.61652	1.1
751.24530	99.3
752.24792	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	751.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
74.26977	0.7
74.87448	0.7
93.85950	0.7
96.96011	2.3
98.21813	2.1
99.92587	11.7
100.92635	0.8
103.63322	0.9
114.84586	0.8
116.92868	100.0
117.31007	0.7
117.92890	4.6
136.49609	0.8
274.64069	0.9
409.06400	0.8
577.71222	0.8
633.38666	1.6
773.85138	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83733	0.2
59.01365	0.4
60.34815	0.2
65.84333	0.2
72.99305	0.5
89.94307	0.2
96.96004	0.4
99.92589	9.9
100.92595	0.6
103.00383	0.4
114.93433	0.3
115.34368	0.2
116.92871	100.0
117.01932	0.3
117.92879	5.4
128.73288	0.2
129.15273	0.2
161.02477	0.4
208.87717	0.2
218.48604	0.2
227.14447	0.2
263.48547	0.2
287.24173	0.2
633.37610	0.3
752.27734	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	0.7
63.18619	0.3
69.19028	1.1
69.19447	1.3
72.59901	0.3
80.40643	0.3
96.95979	0.4
99.92599	11.8
100.92596	0.6
105.93755	0.3
114.93425	0.6
116.92871	100.0
117.92887	5.5
161.02464	0.3
176.54512	0.3
191.39514	0.3
223.13432	0.9
309.20758	0.5
313.32523	0.3
318.87698	0.3
382.29938	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.4062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18534	1.3
59.01388	6.7
70.15483	1.2
71.01390	6.6
71.28054	1.1
71.28445	1.3
85.02957	3.4
87.00873	2.6
88.70908	1.2
89.02467	2.8
93.03446	2.0
101.02485	4.0
108.02239	1.8
109.02967	1.7
113.02476	3.5
121.02946	12.3
122.03722	1.4
125.02567	1.1
134.03787	4.4
135.04544	3.9
147.04501	2.3
149.06110	3.7
161.06152	2.6
167.07106	1.6
181.08733	4.6
193.08760	2.2
209.08263	3.0
221.08176	1.2
269.08392	3.3
270.08963	3.8
277.21622	6.6
279.10104	1.9
283.09711	6.0
284.10452	1.4
296.10507	3.7
297.11401	3.3
311.12961	2.7
313.10855	2.2
314.11627	5.4
315.12421	4.0
329.13931	22.1
330.14374	4.3
357.13547	1.5
371.15198	2.6
459.16818	1.7
473.18176	38.8
474.18512	5.0
476.17188	3.9
491.19263	100.0
492.19504	18.6
751.27454	2.9
751.40686	46.5
752.41040	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	751.4429
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	33.4
83.05026	7.8
85.02972	4.9
85.81298	2.1
87.04520	11.5
87.65369	2.7
96.50405	2.3
105.82040	2.2
109.06601	5.8
111.04504	4.7
111.08189	5.5
112.05300	2.5
113.09739	100.0
123.08206	3.1
123.48930	2.1
125.06080	9.4
127.07657	6.3
132.98694	2.1
157.08705	8.9
166.02567	2.4
181.08708	68.8
182.09000	7.6
205.15938	5.2
208.07454	6.2
209.08188	4.5
263.13055	3.1
291.54688	2.4
343.19275	13.7
357.20734	49.6
358.21042	4.9
411.25241	4.9
500.26617	2.3
501.28751	22.8
502.29340	4.2
513.32086	2.4
514.32758	4.2
515.30115	59.5
516.30365	14.7
569.34857	20.5
570.35132	3.9
572.46533	2.8
783.17090	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	752.3353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.2
59.94462	0.1
61.98834	100.0
62.98541	0.2
69.10558	0.2
69.10980	0.5
71.01400	0.2
77.87759	0.1
82.99434	0.1
88.98828	0.3
89.02409	0.1
96.96048	0.3
110.36421	0.1
116.92876	0.3
125.02507	0.2
143.25587	0.1
151.51727	0.1
171.33235	0.1
193.08691	0.1
207.10371	0.1
209.11913	0.4
271.36108	0.1
277.14505	0.2
378.57178	0.1
591.28174	0.9
652.13470	0.1
753.33606	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	752.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.3
61.98833	100.0
69.08508	1.3
71.01387	0.2
75.35946	0.2
78.91895	0.2
82.95418	0.3
87.32074	0.1
90.74281	0.1
94.80293	0.1
94.98114	0.2
96.96042	0.6
98.17669	0.1
111.73859	0.2
116.92877	0.2
123.04552	0.2
125.02466	0.5
128.03635	0.2
152.40134	0.2
169.01491	0.3
193.08797	0.2
209.11876	0.5
211.13484	0.2
219.06526	0.2
236.99405	0.2
255.99524	0.1
257.57495	0.2
257.92941	0.2
297.33426	0.2
346.89603	0.2
369.13599	0.3
370.13916	0.5
427.21619	0.3
428.21942	0.5
752.32758	0.5
753.35889	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.5
59.86253	0.9
61.98822	1.2
65.32144	0.8
68.17144	0.8
88.98812	1.1
93.03479	6.4
95.01411	1.3
96.96034	0.9
98.21775	1.6
121.02942	1.0
123.00918	1.7
125.02458	10.5
137.02461	9.4
145.02959	1.9
147.04526	1.8
151.00323	1.0
161.02446	1.7
163.04001	1.8
169.01482	7.9
173.02461	2.7
175.03984	3.0
177.01907	1.3
185.02391	3.3
190.02682	1.3
191.03529	1.8
201.01941	5.1
203.03450	5.5
213.01888	1.2
219.02994	1.3
229.01425	11.1
231.02971	3.8
245.00896	1.5
249.04036	4.6
257.00919	10.9
258.01587	4.6
275.01999	40.6
276.02301	4.0
283.99539	2.1
297.97766	1.2
299.99130	2.5
300.99915	100.0
302.00366	7.7
312.99908	2.8
313.05978	1.2
314.00607	1.7
329.02930	1.6
531.33435	1.8
633.07483	3.3
655.16632	1.6
753.09521	27.9
754.09686	7.2
764.65045	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.0951
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92051	0.5
66.05808	0.5
67.85709	0.5
69.12791	1.8
69.13217	2.1
76.13351	0.5
92.12553	0.6
93.03477	1.9
95.01394	1.5
97.02202	0.6
107.01402	2.0
108.02177	0.6
109.02950	0.9
117.03490	0.6
117.92895	0.7
123.00913	3.0
125.02467	12.0
126.02802	1.3
137.02469	3.6
145.02972	2.0
147.04533	2.7
149.02448	0.7
151.04036	1.2
157.02911	0.7
159.04556	1.6
161.02457	1.3
163.04019	1.9
165.01891	1.4
165.05576	0.8
167.03615	0.6
168.00644	1.2
169.01442	7.4
170.01729	1.2
173.02423	2.6
175.04025	2.5
177.01958	1.2
179.03513	1.3
180.03969	0.6
181.05026	0.7
185.02464	3.6
189.01889	0.9
190.02731	1.5
191.03491	1.5
201.01952	4.8
203.03539	4.5
209.72398	0.6
211.02290	0.7
213.01924	1.3
217.01401	0.7
219.02998	1.3
229.01433	10.5
230.02055	0.9
231.02954	3.4
245.00876	1.4
247.02441	0.9
249.04015	5.5
254.99179	0.6
257.00943	7.2
258.01596	4.4
273.00519	0.9
274.01135	1.4
275.01990	33.9
276.02344	2.2
283.99698	2.1
299.99088	2.4
300.99924	100.0
302.00250	7.9
314.05988	0.8
319.00775	0.8
403.06671	0.5
433.07697	0.7
451.08865	1.1
523.46692	0.6
532.12402	0.6
541.28186	0.6
578.20557	0.6
601.08398	2.4
602.08472	1.3
648.73138	0.6
752.24524	1.1
753.09552	16.9
753.23840	2.2
754.09637	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.0951
Annotation	Unknow
Peak:m/z	Relative Intensity
71.28675	0.6
87.46173	0.5
93.03458	2.4
95.01403	1.1
107.01337	0.8
109.02952	1.0
117.03470	0.8
119.05025	0.6
120.99648	1.1
123.00889	2.4
123.04528	0.9
125.02461	10.1
137.02467	2.9
145.02957	2.5
147.04498	1.8
150.03235	1.2
157.02908	1.4
159.04492	1.9
161.02419	1.4
163.03987	1.0
166.58751	0.6
167.03487	0.8
169.01459	6.6
170.01750	0.8
173.02426	3.0
175.04001	2.3
175.07303	0.6
177.01915	1.3
179.03516	1.2
185.02484	3.5
189.01881	1.1
190.02583	0.9
191.03506	2.9
196.04082	0.6
201.01987	5.1
202.02370	0.7
203.03484	5.6
213.01964	1.5
217.01393	0.6
219.03014	1.8
226.99892	0.6
229.01439	11.5
230.01959	1.2
231.02979	5.7
241.05135	0.7
245.00864	1.3
247.02356	0.7
249.04106	6.0
257.00952	9.5
258.01596	4.6
261.84225	0.6
271.44022	0.6
274.01245	1.0
275.01999	38.7
276.02283	3.1
283.99625	2.5
299.99280	3.4
300.02142	0.6
300.99918	100.0
302.00241	7.4
363.77435	0.6
433.07953	1.0
451.08368	0.7
486.16989	0.6
601.08344	3.5
602.08563	1.0
616.34332	0.6
693.49860	0.8
753.09564	18.1
753.22809	1.2
754.09735	3.7
774.61230	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.1
61.98817	2.8
65.32170	1.2
69.05959	8.3
71.01360	2.1
72.99316	4.2
75.00878	23.8
79.01889	1.5
79.95735	7.7
95.01397	2.1
96.96018	100.0
98.22642	2.1
101.02467	1.7
101.90753	1.2
102.69552	1.2
107.01396	5.1
109.02976	1.4
111.00881	3.6
121.02951	2.4
123.00895	17.4
124.01642	1.3
125.02460	20.8
136.98820	2.3
137.02480	2.4
139.00403	6.5
139.04054	2.6
140.01173	5.3
141.02013	1.7
142.13597	1.1
149.02432	2.6
150.03217	1.4
151.00359	5.4
158.91522	1.3
165.05550	1.3
166.99846	1.3
168.00687	7.9
169.01424	19.6
172.78236	1.3
183.02969	3.2
211.02516	4.6
282.08740	1.3
300.99869	3.5
358.87360	1.3
476.17041	1.8
477.17517	7.4
491.19366	4.2
601.15863	20.6
602.16248	3.0
643.20618	10.4
644.20667	2.5
655.20428	5.3
673.21283	12.8
674.22058	3.4
677.50073	2.2
690.20471	1.8
753.17108	81.9
754.17542	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.24
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59053	1.7
57.03454	2.6
59.01380	28.6
69.03452	3.8
69.17196	15.7
69.17529	3.6
71.01389	20.4
72.99285	2.6
73.02941	4.6
81.03455	2.6
83.01402	6.9
83.79367	1.8
85.02953	5.9
88.32172	1.9
89.02465	18.1
93.03484	2.3
95.01410	3.7
95.05031	2.6
97.02966	7.8
101.02474	11.4
107.23573	1.9
108.02196	6.3
109.02967	23.5
113.02441	6.8
116.10870	1.8
119.03579	3.9
121.02968	6.8
122.03776	4.9
123.00914	2.2
123.04563	18.2
125.02447	22.8
133.03047	2.4
135.04535	7.9
137.02477	26.9
139.04045	3.5
143.82047	1.9
145.02939	3.5
146.03770	2.4
149.02440	7.4
149.06097	4.6
151.04025	10.2
159.04532	8.4
160.05354	2.2
161.02426	8.9
161.04616	3.2
161.06102	6.3
161.13354	3.2
162.03258	2.6
162.88324	2.3
163.04065	2.3
164.01187	3.8
164.86336	2.4
165.01947	11.9
169.01451	3.5
173.06169	4.6
174.03127	2.4
175.03986	9.5
175.07635	5.2
176.04707	3.8
177.01987	2.9
177.05527	2.6
179.03491	6.2
179.05608	6.2
187.03986	7.8
187.11279	8.4
188.04799	6.1
189.05528	2.8
191.05571	2.5
191.07181	4.1
201.05521	4.0
202.06285	2.3
203.03539	3.8
203.07117	16.1
204.04239	2.3
205.05063	17.4
205.12405	6.8
215.07086	3.1
216.04286	2.9
219.06567	3.3
221.08295	3.4
227.07152	4.6
229.12340	2.7
231.02774	2.2
233.08203	4.1
240.08098	2.1
243.06839	3.6
245.08177	17.6
247.06100	2.8
249.11319	7.2
251.07178	2.5
257.04575	3.7
259.06085	5.7
261.07697	11.1
268.07489	6.2
271.06189	2.3
283.06454	2.7
283.09723	3.8
289.07193	100.0
290.07532	9.7
301.07315	4.4
301.10779	7.2
350.11200	2.4
371.13449	27.6
372.13718	4.8
381.11914	8.1
429.17688	5.8
449.12308	6.1
463.16522	2.3
529.18701	7.9
573.16882	22.1
574.17993	4.2
591.19000	3.8
601.19043	5.3
611.17902	2.8
629.18726	4.3
735.22736	20.0
736.23065	7.3
753.24097	41.5
754.24591	14.0
784.68750	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	753.2408
Annotation	Labadoside
Peak:m/z	Relative Intensity
57.03444	3.1
59.01382	1.5
64.81966	1.2
66.78699	1.4
69.28374	9.4
71.01379	2.0
78.33648	1.3
81.03443	2.7
83.01404	7.2
83.10459	1.3
83.76267	1.4
85.02957	2.4
90.37928	1.3
93.03452	3.6
95.01398	2.3
95.05038	2.6
97.02960	6.9
99.33325	1.3
104.92610	1.3
108.02206	4.5
109.02960	27.0
113.02488	2.1
121.02956	14.2
122.03748	3.0
123.04551	20.5
125.02461	17.9
126.02805	1.9
133.02953	1.5
135.04512	5.6
137.02446	25.5
139.03999	6.2
146.03767	2.4
147.04547	2.3
149.02473	8.1
149.06113	7.3
151.04031	9.5
159.04489	6.0
160.05273	2.0
161.02432	8.1
161.06116	8.1
162.03207	4.8
163.03996	2.8
164.01091	3.1
165.01938	9.5
165.05612	2.5
167.03555	1.7
173.06056	4.4
174.03285	2.1
175.03955	7.6
175.07666	5.5
176.04778	2.4
177.01947	2.5
177.05542	2.1
179.03535	7.1
187.03986	5.9
188.04768	5.0
189.05510	3.6
191.05594	2.0
191.07176	2.3
196.35849	1.3
199.04008	1.7
201.05540	4.6
202.06381	3.7
203.03438	3.8
203.07164	19.3
204.04315	2.7
205.05043	10.1
212.04874	1.7
215.07159	3.1
217.04985	1.7
219.06627	2.5
221.08224	1.7
227.07181	3.6
230.05675	2.0
231.03072	3.1
231.06638	1.9
243.06528	1.7
245.04564	1.9
245.05463	1.5
245.08188	18.9
246.08669	2.9
247.06154	3.8
249.06140	5.2
251.07130	1.9
257.04462	3.9
259.06143	6.0
266.97989	1.5
267.06592	3.3
268.07532	7.4
268.10028	1.5
269.08167	2.8
271.09906	1.7
280.07153	1.8
283.09756	4.8
289.07202	100.0
290.07587	9.3
301.07407	3.4
301.10818	7.6
371.09875	14.4
423.10489	1.5
423.44583	1.4
449.12405	5.5
463.15567	2.1
529.18640	6.6
530.19153	1.9
547.19391	1.8
573.17645	32.1
574.17438	7.6
591.18591	3.9
592.19452	1.7
601.19031	4.9
602.18927	1.8
629.19092	1.9
735.23132	26.6
736.23608	8.1
753.24066	36.0
754.24585	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	6.6
66.43717	1.0
69.25320	4.2
69.25714	2.0
88.98810	2.5
91.13168	0.9
93.03465	7.2
96.95998	1.0
98.22545	1.7
105.03445	1.0
105.53697	1.0
107.01347	1.0
108.02152	2.2
109.02983	4.6
114.94099	1.0
116.92889	1.1
121.02970	13.8
122.03749	17.6
123.00908	2.3
123.04542	2.3
124.01649	2.3
125.02470	5.3
132.02191	1.7
133.02997	8.9
134.03755	7.2
135.04465	1.3
136.01631	3.9
137.02458	4.3
139.03946	1.1
145.02971	3.8
146.03796	5.1
147.04558	6.4
149.02464	32.6
149.06097	6.9
150.03250	100.0
151.03828	6.2
161.02417	2.8
161.06076	3.4
162.03223	3.1
164.04799	7.9
165.05591	93.1
166.05898	5.7
167.03566	1.3
169.01457	2.6
175.03944	1.6
177.05579	3.8
179.07205	5.9
180.04297	7.5
181.04977	1.4
195.06645	42.9
196.06889	2.3
211.02570	1.0
261.65717	0.9
275.01871	2.0
287.01361	1.1
299.02023	1.2
299.05545	1.4
300.99963	1.7
313.10858	1.3
313.14627	1.0
315.12579	1.3
343.11920	1.7
346.13962	1.9
347.14908	3.4
361.16559	18.1
362.16895	2.4
415.17606	3.7
495.20322	1.2
509.21841	30.7
510.22241	6.0
521.21606	3.7
539.22888	5.2
557.24060	4.6
558.24097	1.8
563.22876	3.5
578.29535	1.1
611.25806	1.3
657.27216	9.8
658.27411	2.4
669.26978	2.2
671.19366	1.9
687.27917	8.8
688.28723	1.4
699.27997	1.5
705.29462	8.3
706.29205	2.2
717.28656	2.1
735.30170	3.2
753.31488	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27413	0.2
59.01385	4.7
61.98838	3.8
71.01399	0.3
73.02947	1.2
75.00871	0.9
80.96513	0.3
85.00450	0.3
88.98840	0.3
96.96029	0.7
99.00894	0.8
99.92594	10.4
100.92612	0.7
101.02492	0.2
103.00369	0.8
103.01505	2.8
114.93459	0.3
116.92872	100.0
117.01952	2.8
117.92883	6.1
123.04554	0.3
125.02461	0.5
142.99437	0.2
164.04788	0.2
169.01472	0.4
179.07100	0.2
193.08621	0.5
195.42479	0.2
250.89552	0.2
373.25876	0.2
414.78677	0.2
489.36050	0.4
490.36197	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4224
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73893	4.1
57.03450	34.0
58.64422	4.1
65.12016	3.7
65.94579	3.7
71.17859	7.3
79.50928	3.9
83.05036	4.9
85.06575	5.2
87.04517	19.3
87.76422	3.9
99.08105	5.4
109.06584	11.2
111.04545	20.1
113.08932	5.2
113.09733	100.0
114.10045	5.9
115.61342	4.2
115.90223	4.0
127.07635	9.4
137.02467	5.2
143.69643	4.0
151.07701	6.5
157.08717	7.3
160.89426	4.4
161.13449	4.0
165.09180	9.2
181.08719	78.9
182.09093	5.6
195.06656	30.1
202.36438	4.0
207.06627	10.7
208.07355	6.3
209.08232	34.4
210.08607	4.8
216.30629	5.0
221.08203	13.2
223.09897	4.5
244.98122	4.7
247.09843	4.5
263.12970	7.1
270.86353	4.4
275.12952	4.5
359.18704	79.7
360.19211	7.3
413.23032	7.3
431.20642	7.4
445.22595	19.4
517.21069	6.0
517.28107	73.1
518.28375	13.7
558.98517	4.1
571.32361	15.4
572.32660	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	755.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	5.5
61.98821	13.8
68.87875	2.4
69.14114	15.5
71.01375	3.0
88.98802	12.3
95.01404	4.5
96.77457	2.6
96.96022	3.8
97.02982	2.1
97.10592	2.0
98.21726	2.1
101.02421	3.3
107.01395	8.6
111.00923	2.7
113.02416	2.1
116.92841	3.8
123.00907	9.0
125.02451	38.1
137.02513	1.9
139.00369	3.2
140.01190	3.5
151.00389	5.5
166.99788	2.3
168.00661	7.1
169.01424	54.8
170.01730	3.3
211.02454	12.9
223.68498	2.1
271.04630	7.2
301.43924	2.0
313.05579	3.7
423.05753	4.0
483.07523	6.7
485.16769	5.0
567.20703	8.6
568.21930	2.8
719.21954	100.0
720.22382	26.0
755.29468	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63300	6.1
61.98822	18.0
68.79760	6.8
71.29793	9.1
71.30151	9.6
82.95423	10.1
93.03456	13.6
102.23264	7.8
123.00936	15.2
125.02466	96.6
126.02782	9.9
126.72110	6.5
137.02467	20.7
139.00365	14.1
168.00647	11.0
169.01437	100.0
177.01816	6.5
181.05109	17.6
196.07437	16.5
211.09737	8.4
248.73848	7.6
270.99008	10.4
298.98434	8.5
300.99570	7.7
314.00903	8.9
719.25305	83.3
720.25293	21.1
755.11133	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	755.4225
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15932	0.4
55.01873	0.4
55.43597	0.4
59.01370	2.9
61.98841	3.5
68.89145	0.4
69.29074	2.4
71.01388	3.2
80.02698	1.6
81.03484	0.8
83.01385	0.9
83.05026	4.3
84.02193	0.5
85.02944	0.9
87.00928	0.5
89.02459	2.0
94.37723	0.4
95.01402	0.6
95.05062	1.0
96.96015	2.4
97.02950	0.9
97.06630	0.5
98.22643	0.5
98.95592	0.7
101.02457	2.7
103.00391	0.7
109.06620	0.8
111.08175	3.8
113.02465	2.1
115.92072	0.7
116.92880	1.6
125.02426	0.6
125.06077	0.5
145.05110	0.6
161.02460	0.4
161.04596	1.1
163.11304	3.4
165.12924	2.4
169.12323	1.2
171.10258	1.3
181.12437	1.1
183.13939	0.8
191.10786	1.2
197.11862	15.9
198.12260	1.1
198.96687	0.4
199.13487	1.0
209.11853	100.0
210.12178	6.6
211.13474	3.1
225.11363	0.8
227.12924	12.2
228.13295	1.1
235.08238	4.4
253.09299	10.4
254.09720	0.6
263.20139	0.7
273.18616	0.5
291.19720	7.9
292.19989	1.0
293.21335	0.5
309.20737	24.4
310.21030	2.5
374.02664	0.7
407.06396	0.5
445.20724	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.7
57.64188	0.3
58.00608	0.4
59.01383	4.1
61.98832	4.0
69.03450	0.9
69.12041	3.1
69.12380	0.6
71.01388	4.1
73.02953	0.5
80.02678	1.4
80.91679	0.8
81.03458	1.2
83.01389	0.9
83.05042	4.4
84.02155	0.5
85.02962	1.0
89.02436	2.6
95.05003	0.5
96.96054	0.5
98.22517	1.0
101.02443	3.1
103.98872	0.4
104.13863	0.3
109.06586	0.7
111.08171	4.8
113.02467	1.7
119.03530	1.1
125.02483	0.7
125.06128	0.5
125.09760	0.5
127.07654	0.4
135.08186	0.5
147.11771	0.4
151.11273	0.7
151.16789	0.4
153.12910	0.5
161.04572	1.7
163.11290	3.4
165.12869	2.5
169.12428	2.3
171.10260	0.9
181.12321	1.5
183.13931	0.8
191.10805	0.7
193.12486	0.4
197.11847	27.3
198.12172	1.7
199.13391	1.5
209.11844	100.0
210.12177	6.2
211.13376	4.7
227.12901	12.2
228.13248	0.7
235.08240	2.7
253.09306	14.6
254.09648	0.6
263.20154	1.6
265.18137	0.5
273.18765	0.7
291.19675	11.8
292.14404	0.5
292.19989	1.5
309.20746	37.6
310.21140	3.7
325.20193	0.4
445.20996	0.6
470.52667	0.4
545.29712	0.5
755.28906	0.7
769.40930	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4179
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99527	0.4
61.98834	100.0
62.98532	0.4
65.02853	0.4
71.28436	0.5
78.95943	0.4
91.72581	0.4
99.00895	0.4
104.23279	0.5
108.90910	0.3
111.04536	0.6
128.60445	0.3
143.10864	0.4
143.24547	0.4
181.08688	0.8
207.06747	0.6
225.07507	0.4
233.08255	0.6
278.08908	0.4
381.86270	0.4
756.57098	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
71.28558	3.9
73.27149	2.9
95.01400	4.9
97.02938	3.6
108.02188	3.4
111.00927	2.5
123.00909	15.2
124.01660	3.8
125.02441	19.5
137.02435	2.9
139.00351	3.5
145.02998	4.6
147.04536	4.7
157.03008	3.0
163.04024	3.2
166.99815	3.1
168.00624	7.3
169.01468	15.8
171.00920	2.4
173.02371	2.8
175.04095	3.9
177.01953	3.3
185.02444	3.0
187.03903	3.1
189.01927	4.5
190.02574	3.2
191.03537	3.6
201.01886	7.1
203.03487	11.1
217.01321	3.2
218.02269	2.9
229.01361	19.3
230.02069	5.3
230.37045	2.3
231.02971	20.0
245.01022	5.7
247.02437	8.8
249.04105	20.3
257.00848	13.6
259.02505	4.2
273.00351	6.9
274.01343	12.7
275.01968	56.3
276.02255	4.4
285.00470	5.6
298.98398	4.3
299.01938	8.7
299.99146	26.3
300.99911	100.0
302.00391	8.6
351.04434	3.0
425.01474	6.0
613.04730	27.0
614.05206	23.1
615.06097	3.8
631.05530	6.1
632.06445	31.0
632.96838	4.8
633.07312	69.0
634.07776	12.3
757.08289	8.8
762.92737	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	757.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.3
60.32147	1.4
66.46196	1.6
71.01392	4.5
71.29079	2.0
85.02969	2.4
89.02491	1.6
93.03490	4.5
95.01390	4.9
96.96013	1.4
97.02987	1.6
101.02487	2.2
107.01381	2.0
109.02959	3.6
111.00898	1.9
113.02470	2.0
121.02977	2.1
123.00939	9.7
124.01665	3.9
125.02451	20.6
131.04990	1.9
137.02434	6.4
139.00366	2.4
140.01175	2.3
145.02940	3.9
147.04576	2.3
149.02484	1.6
151.04042	2.0
157.02892	2.5
159.04482	2.2
161.02446	2.4
163.00412	2.3
163.04012	3.1
166.99858	3.0
168.00670	5.8
169.01437	12.1
171.00931	1.8
173.02454	3.7
175.04018	5.3
177.01822	4.0
179.03574	2.0
185.02515	2.8
189.01988	3.5
190.02702	1.6
191.03517	6.1
191.05388	1.4
200.01117	2.1
201.01895	7.1
203.03491	10.0
205.05135	2.2
211.02505	1.9
213.02045	2.4
214.02617	1.8
215.03445	2.4
217.01370	2.8
218.02136	2.0
219.02986	2.5
229.01433	15.3
230.02077	3.1
231.03003	17.9
232.03407	2.5
233.04277	1.8
245.00951	7.1
247.02509	9.3
248.02995	1.6
249.04045	25.9
257.00827	10.7
258.01602	4.6
259.02399	3.1
263.02271	1.6
271.02420	2.8
273.00424	5.1
274.01227	12.7
275.01971	52.9
276.02341	5.8
283.99649	3.5
285.00546	2.7
289.07214	6.2
290.07593	1.7
291.01617	2.0
298.98416	3.3
299.01978	4.7
299.99118	21.6
300.99905	100.0
302.00156	9.2
358.62860	1.6
397.17105	4.3
425.01379	4.4
613.04675	23.7
614.05341	14.3
615.06097	2.0
631.05219	5.8
632.06464	28.9
633.07324	62.8
634.07471	11.9
757.08734	8.6
758.09009	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	757.0897
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73780	0.8
57.58676	0.7
58.61811	0.8
59.01376	3.2
59.69125	0.8
63.33482	0.8
71.01389	1.8
79.61093	0.8
89.02437	2.2
95.01400	2.1
96.95994	1.4
105.75780	0.8
107.01378	0.9
109.03005	1.0
111.00867	1.4
113.02389	1.0
123.00925	4.8
123.04543	2.3
125.02460	6.6
137.02446	1.0
139.00406	1.1
145.02988	2.0
147.04526	1.4
149.02397	1.0
151.00400	1.3
157.02855	0.8
159.04419	1.2
161.02449	2.4
163.03981	1.4
166.99803	0.8
168.00629	1.2
169.01395	5.6
170.20380	0.8
173.02422	3.7
175.03961	2.3
176.01244	0.9
177.01944	1.5
185.02435	4.3
187.04001	1.1
189.01967	2.7
190.02789	2.7
192.00670	1.2
193.08664	1.3
200.01219	1.4
201.01958	4.3
203.03508	5.1
209.04390	0.9
215.03542	1.3
217.01430	2.0
219.03032	1.1
223.08722	0.8
226.99969	0.9
228.00716	1.9
229.01428	9.6
230.02106	1.7
231.03040	5.3
245.00888	3.3
247.02478	3.1
248.95035	0.9
249.04068	5.2
255.03067	2.4
257.00943	6.2
258.01520	1.4
259.02499	1.5
269.04291	1.0
270.99054	1.6
271.02405	3.6
273.00360	1.9
274.01141	8.5
275.01996	15.9
276.02280	1.7
283.99557	3.2
285.00427	3.7
289.07236	1.7
298.98334	3.5
299.01523	1.0
299.99118	18.4
300.02722	5.4
300.99911	100.0
302.00195	8.8
363.32565	0.8
425.01605	6.1
432.30920	0.9
439.79828	1.0
445.04282	1.9
446.03397	0.9
535.32648	1.4
595.12885	3.9
613.04694	11.2
614.05133	4.6
631.05627	4.2
631.96228	1.0
632.06555	26.6
633.07263	36.3
634.07990	6.0
757.08099	4.9
758.09741	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	6.2
59.01369	3.2
60.12444	2.7
61.98837	5.9
65.48830	2.6
69.03449	3.5
71.01353	2.7
71.29128	2.9
71.31477	2.1
76.13054	2.3
81.03472	6.6
83.01380	9.0
87.00898	2.6
93.03460	3.0
95.01416	4.9
95.05087	3.5
96.95995	6.7
97.02963	6.2
99.04543	3.6
105.03475	2.7
107.01401	11.6
109.02943	9.2
121.02936	3.3
123.00873	11.6
123.04535	9.8
124.01619	5.0
125.02462	100.0
126.02792	5.4
135.04532	3.0
136.16827	2.1
137.02466	35.0
138.61902	2.3
139.00429	5.3
139.04037	6.7
142.39728	2.2
145.06624	2.5
146.01695	2.4
146.03735	2.6
147.04553	5.1
149.02469	7.5
150.03273	3.4
151.00380	4.8
151.03995	15.7
153.01840	3.6
159.04460	3.9
161.02473	5.8
161.06078	3.1
162.03198	3.4
163.04022	8.3
164.01192	3.0
165.01927	8.1
167.03511	21.8
168.00697	4.3
169.01450	73.6
170.01846	2.6
173.06129	5.0
173.80704	2.6
175.03958	4.1
175.07631	3.4
177.01962	6.4
179.03526	8.3
181.05229	2.4
187.04045	4.5
187.07573	3.4
188.04698	4.1
189.05563	23.6
190.06099	3.5
191.07138	6.6
199.03894	2.5
201.05556	6.8
203.03549	5.9
203.07141	11.3
203.67168	2.4
204.04301	10.7
205.05086	5.7
205.08723	9.8
211.02483	5.2
215.03661	3.9
215.07106	6.8
216.04140	2.4
217.05099	4.5
219.06607	6.6
224.91612	2.4
227.03616	3.7
227.07143	2.9
229.05017	4.4
231.06599	4.1
232.07343	3.1
233.04636	2.5
233.08154	22.6
243.03017	3.6
243.06688	3.2
245.04756	2.7
245.08122	3.4
248.06863	3.5
249.07893	3.5
251.07225	2.3
259.06140	2.9
261.07718	4.2
267.06674	3.1
269.08185	3.7
271.04636	8.9
275.05634	7.6
277.07007	13.3
285.11374	2.9
287.05652	5.7
289.07275	3.9
299.09454	3.1
300.99771	3.2
303.05264	3.3
305.06747	3.8
309.11420	4.3
313.05652	33.3
317.06693	3.1
327.12436	6.1
331.06964	2.4
353.10272	3.8
371.11493	5.5
375.10941	2.7
381.10107	4.5
399.10803	4.2
425.08829	3.3
441.33594	2.6
443.09796	3.1
479.12170	3.2
533.16510	4.7
543.15027	5.8
547.14484	4.2
561.16107	3.7
587.13745	4.3
589.11804	3.6
591.13721	3.6
605.15033	18.2
619.13013	10.0
685.17688	8.9
695.16443	4.4
713.16925	8.5
714.17505	2.6
739.15820	12.5
740.15350	4.1
757.16156	98.1
758.16504	27.1
766.07825	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	757.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95266	0.4
59.01390	0.4
59.87032	0.4
63.02391	0.4
65.00306	0.6
66.91718	0.4
71.12912	0.5
105.96954	0.5
107.01388	1.5
109.02957	1.1
143.05025	0.5
147.00961	0.5
151.00343	3.6
159.04555	0.5
171.04469	0.5
172.67993	0.4
175.04021	0.8
178.99883	0.7
199.03975	3.8
201.01918	0.6
203.03622	0.5
215.03493	1.6
226.02675	0.8
227.03532	3.2
243.03027	3.1
254.01985	0.8
255.02951	1.9
271.02478	54.5
272.02795	6.5
273.04163	0.5
299.01974	100.0
300.02542	20.6
301.03448	7.9
335.87106	0.5
342.03018	0.6
379.82852	0.5
462.08081	25.8
463.08475	4.1
595.13013	27.0
596.13629	4.0
637.13989	0.6
757.18341	42.3
758.18732	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	757.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41018	0.5
57.03436	1.2
59.01379	7.8
67.01891	0.7
68.97945	4.4
68.99814	1.1
69.03452	0.8
71.01032	0.7
71.01386	8.0
72.68469	0.4
72.99303	3.0
73.02956	1.1
73.53207	0.4
75.00491	0.8
75.00877	9.1
75.25606	0.5
76.32511	0.5
81.03458	0.7
83.01397	0.6
85.02956	12.0
86.03291	0.5
87.00869	3.3
88.00711	0.4
89.02440	2.0
91.04012	0.7
93.03458	0.8
95.01408	3.3
97.02933	0.8
98.22632	0.7
99.00898	5.9
103.00367	1.4
111.00868	0.6
113.02457	11.8
114.02753	0.4
115.00382	1.0
117.01951	1.8
120.30720	0.5
121.02965	49.6
121.96885	0.5
122.03327	2.4
125.02444	0.8
129.01918	0.9
157.01526	0.5
175.02470	1.0
231.05168	2.7
249.06165	35.8
250.06502	2.3
305.27271	0.5
317.73517	0.4
353.08945	1.0
371.09833	100.0
372.10172	11.8
402.50012	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36860	1.2
59.01376	9.2
61.98829	14.7
63.42680	0.9
69.01220	9.0
71.01395	16.5
73.02962	2.2
75.79901	1.1
78.95905	1.2
81.03461	3.2
82.95435	3.6
83.05022	5.7
84.95120	3.0
85.00443	4.3
85.02965	2.5
88.98800	2.2
89.02445	4.3
95.05022	1.4
96.96020	21.7
97.02937	3.0
97.06537	1.3
101.02463	6.1
109.02937	1.3
109.06602	15.0
111.00849	1.6
113.02435	3.9
113.41367	1.0
116.92874	1.9
121.06620	1.1
123.00906	1.6
123.08121	1.3
125.02451	4.4
125.09735	1.9
131.46140	1.0
135.04541	2.0
135.08115	1.1
137.02422	1.4
149.02486	1.2
151.03999	1.9
161.02464	1.5
161.04567	2.7
163.11290	10.2
164.11656	1.1
165.12914	2.0
169.01401	4.1
171.10323	4.1
181.12338	4.6
185.11864	2.1
189.09242	2.5
193.04803	1.1
199.09741	2.0
201.11284	2.6
207.10263	50.4
208.10612	3.6
209.11842	100.0
210.12172	7.4
225.11337	26.9
226.11758	1.6
227.12935	14.8
235.08183	4.3
253.09297	12.0
290.59482	1.1
357.26453	5.6
358.26733	1.5
390.24506	1.2
399.21567	1.7
417.22794	3.9
433.35736	1.0
443.19373	2.2
460.25537	1.1
461.20395	12.3
462.20667	2.3
522.42249	1.3
551.78363	1.3
635.30719	2.8
653.31421	4.2
671.33069	11.0
672.33130	3.5
673.34888	1.3
721.25946	1.4
757.38483	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.394
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	8.5
61.98823	11.1
71.28245	5.2
79.94764	4.7
89.02451	6.1
109.06618	20.0
133.23856	5.5
163.11264	13.3
181.08630	5.1
207.10257	100.0
209.11867	8.1
225.11336	35.7
253.09363	19.4
277.21683	85.4
278.22028	9.7
280.40448	5.6
350.97278	6.3
389.33517	5.5
402.71933	4.7
443.19424	7.3
461.20111	15.0
721.41455	43.2
722.41821	19.9
757.57007	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	757.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
60.63989	20.9
61.98810	56.1
66.24004	23.9
108.11705	23.7
154.10315	25.0
181.08769	36.5
225.11380	100.0
229.57559	29.5
260.33459	27.7
277.21765	85.1
322.82928	25.1
362.27588	26.5
432.30594	25.4
461.20041	52.4
562.78937	25.6
634.56598	26.1
721.41919	40.7
757.38989	70.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	5.2
61.98841	18.8
67.37080	4.0
69.00853	29.0
69.01259	7.3
71.01385	5.9
71.29989	3.7
88.98820	10.3
101.02391	5.8
109.06564	7.2
125.88692	4.0
127.11282	4.6
152.99553	4.4
169.12320	5.6
173.11780	12.3
181.08675	4.0
207.10277	57.2
225.11346	16.6
235.08174	10.4
253.09282	15.4
277.21732	100.0
278.22067	10.8
279.23352	5.7
287.22263	9.1
331.24899	20.8
349.89096	4.0
429.62659	3.5
443.19330	7.1
461.19955	6.8
721.41925	47.5
722.41998	11.0
757.37970	6.6
757.58514	36.1
758.58929	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	757.441
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91059	1.8
53.00288	2.3
58.65818	1.8
59.01384	14.4
64.85600	1.7
69.40450	11.0
71.01386	97.3
72.85912	1.6
72.97822	1.8
73.02914	2.1
76.99654	1.9
85.02916	2.3
89.02457	3.9
99.00868	2.5
101.02431	4.5
109.06593	3.8
113.02441	3.6
125.09768	2.7
127.11337	2.3
154.75470	2.1
163.11337	1.8
166.33133	1.7
171.10271	63.0
172.10596	4.4
199.09769	10.6
199.13423	3.1
201.11351	12.7
207.10193	14.7
225.11365	9.7
235.08228	4.3
253.09406	13.1
277.21729	100.0
278.22037	10.5
412.93317	2.0
601.15625	2.4
646.33008	2.0
708.39819	2.2
721.41827	3.3
757.43958	13.1
758.44031	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	759.157
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	13.5
69.08298	3.9
69.08718	2.7
81.03439	1.0
83.01398	2.9
83.70725	0.8
89.03969	1.0
93.03477	3.4
94.80221	0.9
95.01413	1.2
95.05056	1.7
96.96031	1.5
98.17915	0.8
105.03459	3.6
107.05025	1.3
109.02962	5.1
113.94775	0.7
119.05096	1.5
121.02950	4.0
123.00918	1.8
123.04510	0.8
124.01695	1.7
125.02457	100.0
126.02808	3.5
131.04999	1.2
133.02946	4.2
137.02454	16.2
139.04010	3.2
147.00871	3.2
147.04529	1.0
149.02440	7.0
151.00389	1.1
151.04013	9.6
159.04433	1.3
161.02454	21.9
162.02861	1.1
163.00397	5.4
163.03996	2.3
164.01103	1.5
165.01962	3.1
166.02689	1.2
167.03520	5.8
169.01454	2.7
169.06667	0.9
173.06203	1.9
174.03246	0.9
175.00349	3.3
175.04013	16.3
176.01109	1.3
176.04401	0.9
177.01945	80.1
177.05341	4.5
178.02296	3.7
179.03526	3.4
181.05232	0.9
183.04524	1.7
185.42586	0.9
187.04016	3.0
189.01953	2.3
189.05562	1.1
191.03426	2.6
193.05038	3.3
196.73170	1.0
199.04013	5.3
201.01950	2.5
201.05545	2.7
203.03499	2.4
211.04221	1.5
215.03485	3.7
217.05075	12.8
219.02951	4.7
219.06557	1.8
225.05524	1.6
227.03473	2.8
229.01480	5.5
229.05060	3.0
233.04492	1.2
241.04950	1.2
243.02998	21.9
243.06674	1.3
244.03400	1.7
245.04536	3.7
253.05022	1.1
255.03015	9.3
256.03531	1.6
257.04468	2.3
259.06317	1.0
261.04025	7.2
262.04297	0.8
263.24838	0.9
267.02930	1.2
269.04630	9.2
270.05133	1.4
273.04019	7.0
275.01993	1.0
283.02594	4.4
285.04028	2.4
287.05606	15.5
288.05948	1.1
289.07034	1.0
297.04089	3.7
301.00046	1.8
301.03406	10.3
303.05072	7.7
305.06702	12.5
313.03564	2.1
315.05002	1.3
327.05087	1.4
379.08176	2.7
387.05200	2.1
395.94974	1.0
405.06146	10.3
423.07257	48.2
424.07574	7.7
427.06573	1.1
436.42807	1.0
439.06967	2.6
441.08539	1.4
453.08206	1.2
455.09900	1.8
465.08261	4.8
466.08124	1.3
469.07489	1.2
483.09732	1.2
573.10468	3.6
591.11609	12.6
592.11896	2.3
607.10791	1.6
609.12286	3.2
759.15759	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12436	2.2
55.98365	2.2
57.03440	3.3
59.01381	14.9
59.56727	2.1
60.99287	3.8
61.98832	13.7
68.51051	2.1
70.43796	6.4
71.01378	8.9
73.08344	2.6
79.89311	2.3
81.46889	2.2
83.01424	4.0
85.02923	3.2
87.00864	2.3
88.98811	13.5
89.02458	4.6
93.03468	4.9
95.01414	4.8
95.05037	2.9
96.96017	30.1
97.02958	4.8
101.02446	5.4
107.01399	7.5
107.05043	2.6
108.02184	4.7
109.02966	19.9
111.00912	5.0
112.79651	2.2
113.02496	4.4
116.92889	4.6
121.02954	9.9
122.03775	2.6
123.00893	12.8
123.04520	12.9
124.01630	2.4
125.02447	49.5
133.02959	3.0
135.04492	6.1
136.01639	3.3
137.02458	7.4
139.00392	6.1
139.03961	4.1
149.02344	4.5
149.05994	4.0
150.03244	2.9
151.00423	5.8
151.03990	7.2
152.01280	2.7
161.02467	8.6
161.04562	4.0
163.04044	6.4
164.04768	2.8
165.01869	5.9
165.05537	2.8
167.03485	2.7
168.00641	4.5
169.00020	3.6
169.01433	47.7
170.01825	2.5
171.10396	2.8
175.03995	8.2
179.03523	3.2
179.07126	4.7
181.05040	3.1
201.11279	4.2
205.05060	5.7
207.10144	3.1
208.03743	2.9
209.11797	3.9
211.02550	4.7
223.13293	3.0
247.37277	2.7
271.09869	4.6
273.04071	3.6
289.07257	15.2
323.12939	4.1
325.07022	2.8
371.24664	3.8
373.25934	8.2
389.25430	9.0
390.25708	2.5
391.27020	15.7
418.10278	3.4
418.49026	2.9
433.12909	9.2
445.13004	9.3
571.23108	13.1
572.23517	3.1
597.17664	100.0
598.18085	20.9
607.18256	3.7
723.25104	97.0
724.25372	24.6
759.41248	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	759.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	4.9
59.01397	2.4
60.08897	1.2
61.98833	9.7
63.01624	1.3
65.00342	1.9
71.01375	4.9
71.28226	1.4
71.28590	1.5
81.03457	5.7
83.01379	3.6
83.05014	1.4
83.64299	1.3
84.95103	2.4
85.00447	2.0
88.98818	2.0
95.05008	1.7
96.96026	2.9
101.02476	1.7
107.01405	8.9
109.02918	1.5
111.00880	1.8
111.04522	3.4
113.02442	2.3
113.09730	4.6
116.92873	6.4
119.05039	1.4
121.89869	1.2
123.00886	7.7
123.08175	3.0
124.01672	1.5
125.02460	82.3
125.06084	13.0
136.98854	1.3
139.00403	3.2
139.04008	3.8
140.01160	2.2
141.02058	1.5
147.08148	2.2
149.02452	2.2
151.00356	7.0
151.04088	2.0
151.07594	3.2
165.09210	28.8
166.09552	1.5
167.03481	1.8
167.07224	1.3
168.00677	4.2
169.01447	96.8
170.01736	4.2
171.10274	1.4
179.03470	1.5
179.07132	2.7
179.10791	2.9
181.08714	13.5
182.09024	1.7
182.72989	1.3
191.07130	3.0
193.01479	1.4
195.06746	8.3
197.45387	1.2
209.08212	74.5
210.08594	4.0
211.02542	7.5
219.14030	2.3
223.09750	6.8
233.08191	3.9
235.09782	1.9
241.03630	4.8
247.29395	1.3
251.09398	1.8
263.12952	11.3
264.13266	2.1
265.55682	1.3
271.04608	10.7
273.02814	1.4
284.76245	1.4
313.05679	63.4
314.06067	5.4
319.85733	1.2
331.25107	1.5
439.08804	5.9
493.14014	1.6
509.13068	8.1
523.14612	100.0
524.14923	19.3
535.14008	1.9
577.19330	16.0
578.20477	1.7
619.96985	1.4
658.94464	1.5
759.28662	74.1
760.29248	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	759.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	4.3
59.01385	3.2
60.12056	1.2
61.98836	6.8
65.00306	1.4
71.01382	4.5
71.28331	1.6
75.50883	1.2
81.03465	4.9
83.01385	2.0
85.00433	2.2
85.02962	1.5
97.02979	2.0
99.92581	3.6
100.67123	1.2
107.01397	7.0
111.08163	1.9
113.02410	1.8
113.09734	3.8
115.87307	1.5
116.92859	16.8
117.92908	2.5
123.00922	6.8
123.08131	2.2
125.02454	80.2
125.06069	7.5
126.02844	2.6
137.02452	2.0
139.00363	2.5
140.01036	1.6
140.89603	1.3
149.02419	1.8
151.00372	7.0
151.03963	2.1
165.09229	25.6
166.09624	1.7
167.03508	2.4
168.00668	4.2
169.01436	72.0
170.01726	3.6
179.07144	7.7
181.07278	2.1
181.08739	16.3
187.09776	2.2
191.07098	1.8
195.06595	1.6
209.08195	63.4
209.96394	1.2
210.08516	5.2
211.02467	10.7
219.14125	2.4
233.08185	3.0
241.03511	3.4
251.09239	1.7
263.12921	8.3
264.13144	1.4
271.04608	7.4
313.05670	53.7
314.05948	4.4
342.56577	1.7
368.82669	1.5
386.69125	1.3
418.23932	1.6
439.08859	18.8
440.09262	1.5
493.13446	3.6
523.14612	100.0
524.15021	14.5
577.19354	13.1
578.19196	1.6
759.28680	61.5
760.29639	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	759.4091
Annotation	Unknow
Peak:m/z	Relative Intensity
65.35564	7.5
70.91476	7.5
100.30151	7.3
176.59869	7.2
209.11829	70.6
223.65198	8.6
227.12814	17.3
235.08209	8.4
242.90163	6.9
253.09184	14.2
258.09415	7.3
277.21753	100.0
278.21973	11.2
283.32477	7.9
289.84454	7.1
325.29520	6.9
613.02838	7.8
760.41235	11.0
783.52234	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	759.41
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98506	12.4
61.98826	30.4
69.00715	30.4
69.01123	100.0
77.95023	11.6
80.75075	11.7
101.81400	12.4
105.56512	14.3
116.92864	15.6
146.32388	12.0
161.02225	12.9
177.37271	15.0
181.08626	17.8
208.91272	13.6
209.11835	89.4
253.09277	18.0
258.66092	13.2
277.21738	58.7
327.85324	13.6
355.04474	24.5
374.03955	16.2
577.39502	17.8
669.37341	25.9
759.39886	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	759.41
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98506	12.4
61.98826	30.4
69.00715	30.4
69.01123	100.0
77.95023	11.6
80.75075	11.7
101.81400	12.4
105.56512	14.3
116.92864	15.6
146.32388	12.0
161.02225	12.9
177.37271	15.0
181.08626	17.8
208.91272	13.6
209.11835	89.4
253.09277	18.0
258.66092	13.2
277.21738	58.7
327.85324	13.6
355.04474	24.5
374.03955	16.2
577.39502	17.8
669.37341	25.9
759.39886	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	761.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	11.0
59.01376	3.2
62.81385	1.4
63.05431	1.1
66.72086	1.3
71.01402	3.1
81.03459	1.6
83.01386	4.1
87.00935	1.6
89.02405	1.7
93.03479	3.2
95.01398	1.5
95.05036	2.2
96.95999	3.7
97.02934	2.1
101.02466	1.5
105.03438	3.1
107.05028	2.9
108.02187	1.6
109.02955	8.4
120.99660	1.8
121.02953	5.0
123.00867	3.4
124.01658	1.8
125.02454	100.0
126.02785	5.0
131.05060	2.4
131.07187	2.1
133.02971	3.7
135.04518	1.3
137.02464	15.5
138.02795	1.6
139.04048	5.5
145.06670	1.2
149.02452	6.1
151.04054	12.4
159.04517	1.7
161.02443	18.4
163.00409	6.8
163.04021	2.4
164.01106	3.0
165.01970	7.6
167.03468	7.4
169.01456	15.0
173.06166	1.6
175.00360	2.9
175.04008	12.0
176.01082	1.4
177.01930	62.3
177.05421	2.8
178.02296	5.0
179.03525	3.7
187.04016	2.5
189.01935	1.7
190.02672	1.5
191.03479	2.2
191.05653	2.4
193.01407	2.8
193.05089	4.6
199.04005	5.4
200.04622	1.7
201.01892	2.9
201.05608	2.5
203.03404	3.4
215.03598	2.4
217.01419	1.2
217.05121	7.8
219.02954	5.6
219.06674	2.8
221.04694	1.7
227.03491	4.3
229.01358	2.3
229.04985	1.3
231.03029	1.4
239.97456	1.6
241.04973	1.4
243.02985	16.6
245.04581	2.2
249.03831	1.7
253.05066	1.9
255.03004	12.4
256.03580	3.5
257.04584	2.3
261.03989	6.9
269.04611	8.5
273.04025	1.8
283.02438	6.6
285.04062	4.4
286.62473	1.4
287.05615	10.7
289.07162	4.0
293.12335	6.9
297.04196	4.1
298.04480	1.4
300.02243	1.5
301.00037	3.3
301.03409	6.5
303.05069	7.3
305.06677	23.3
306.07117	2.0
313.03647	3.0
379.08554	1.9
404.43896	1.7
405.06146	6.0
406.06650	1.5
423.07214	68.0
424.07541	10.1
441.08167	5.0
452.07608	1.9
453.08563	2.1
457.07721	2.1
465.08420	5.4
467.11447	2.0
483.09122	5.1
510.23648	1.3
575.07990	3.0
580.15485	1.7
591.11395	7.0
609.12518	10.4
610.12775	2.1
729.11578	1.6
743.61609	1.5
761.17096	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	761.173
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	1.6
61.98823	0.8
63.02385	0.8
64.38435	0.4
64.43479	0.4
65.00340	2.0
65.10531	0.3
68.87189	0.4
68.99810	0.4
69.17477	2.7
70.27215	0.3
71.01366	1.4
83.01385	1.2
88.28577	0.4
88.98813	0.8
93.03436	0.7
95.01391	0.7
96.96030	1.9
98.21802	0.7
101.02435	0.8
107.01396	4.1
108.02211	2.2
109.02963	2.7
111.00847	0.4
113.02451	0.8
116.92855	1.3
117.60469	0.4
119.01406	0.5
121.02972	3.5
123.04557	0.5
125.02426	1.4
129.60464	0.4
134.03751	1.0
135.00865	1.2
135.04539	1.9
137.02402	0.6
139.00356	0.8
139.04022	0.6
145.03009	0.5
147.04475	0.7
148.01682	1.5
149.02426	1.6
149.06102	0.6
150.99203	0.7
151.00378	12.9
151.03964	1.1
152.00801	0.5
153.01961	0.5
159.04482	0.9
161.02441	0.6
163.00407	3.0
163.04056	0.5
164.01158	1.8
165.01939	0.9
166.02823	0.4
169.01411	1.5
174.03383	0.5
178.98404	0.7
178.99879	6.9
179.03528	1.4
181.05069	0.9
183.04449	0.6
185.06047	0.5
187.03947	0.8
190.02757	0.6
190.99814	1.3
191.03600	0.7
192.00568	0.6
194.05711	0.9
199.04016	1.3
201.01971	0.5
201.05605	0.4
203.03436	0.5
209.08180	0.9
209.11917	0.8
211.04005	1.1
213.05722	0.4
215.03528	1.2
216.04253	1.0
219.06630	0.4
226.02701	1.7
227.03520	3.7
227.06995	0.5
229.04991	0.7
238.06329	0.6
239.07104	0.9
240.04106	0.5
241.04903	0.7
243.03001	11.1
244.03499	1.3
245.04628	1.0
254.02252	2.0
255.03000	29.0
255.06586	3.3
256.03363	2.5
256.07339	3.3
270.08817	0.4
271.02499	57.2
271.09656	4.4
272.02969	7.3
273.04022	1.3
283.02567	2.5
289.07043	0.9
299.01941	2.2
300.02777	100.0
301.03458	40.2
301.06790	1.1
302.03979	2.9
315.05267	0.4
315.08722	9.8
316.09131	1.3
343.04584	0.5
357.09903	1.4
358.10486	0.8
373.12921	1.8
373.26135	0.6
387.11258	0.5
389.25220	0.4
391.27026	0.9
417.11896	0.9
433.15054	5.6
434.15689	0.5
445.11618	0.6
449.60773	0.4
459.12930	4.9
460.13251	0.7
463.08841	36.8
464.09183	5.1
480.42838	0.4
599.18945	0.5
723.24829	0.7
761.17249	67.7
761.28748	2.6
762.17560	19.2
762.28363	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19455	0.5
59.01370	0.9
61.98818	0.9
63.02377	1.0
65.00317	2.3
65.84725	0.4
68.09100	0.4
68.09512	0.4
70.12498	1.2
70.12849	0.8
71.01357	1.4
83.01381	1.2
85.02946	0.5
93.03462	0.7
96.96001	0.9
98.45866	0.4
107.01385	3.4
108.02208	2.3
109.02962	2.8
113.02421	0.7
116.92847	0.8
121.02990	3.6
121.03726	0.6
123.04498	0.7
124.01617	0.5
125.02429	1.2
129.62575	0.4
131.97940	0.4
134.03735	1.2
135.00847	0.9
135.04506	0.6
137.02446	0.9
139.00352	0.5
147.04495	0.5
148.01654	1.3
150.99199	0.8
151.00380	13.8
159.04506	0.6
160.05179	0.6
161.02466	0.5
163.00414	2.7
164.01126	0.9
169.01393	1.2
177.01883	0.5
178.99870	7.1
179.03564	0.5
183.04605	0.5
185.06223	0.6
187.04024	0.8
190.02657	0.4
190.99921	0.9
192.00594	1.0
203.03705	0.6
211.04015	1.6
213.05576	0.6
215.03435	1.2
216.04245	0.8
221.12933	0.5
226.02722	1.5
227.03564	3.1
229.05002	1.1
233.82063	0.4
237.05688	0.7
239.07045	1.0
240.04199	0.8
241.05067	1.5
243.02986	9.7
244.03275	1.3
245.04469	1.0
245.08197	0.5
254.02193	1.6
254.05875	1.0
255.02997	28.7
255.06560	2.9
256.03409	2.9
256.07373	3.9
257.07895	0.5
271.02487	55.5
271.09656	3.8
272.02951	6.9
272.09961	0.5
273.03864	0.8
283.02466	2.0
299.02112	2.1
300.02765	100.0
301.03464	36.7
301.06976	1.0
302.03888	2.2
315.05298	0.5
315.08716	10.7
315.12393	0.6
316.09140	0.8
357.09683	1.6
358.10602	0.6
373.12918	0.8
373.25677	0.5
391.26959	0.5
417.11819	0.7
433.14801	2.5
434.15228	0.6
445.11246	0.7
459.12921	3.7
460.13110	0.8
463.08862	34.1
464.09125	5.4
600.19672	0.5
700.23724	0.6
761.17230	58.2
762.17645	17.5
762.29449	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.6
59.01382	2.1
61.98826	1.6
66.37163	0.8
67.01880	0.8
69.03455	1.0
71.01362	1.1
71.05004	1.8
79.01884	1.0
81.03452	2.6
83.01402	4.6
85.02953	1.1
87.00874	1.0
88.98802	1.4
89.02461	1.0
93.03465	3.5
95.01406	1.9
95.05019	2.1
96.96028	2.6
97.02949	5.1
105.03489	1.2
107.05038	1.1
108.02174	2.6
109.02956	30.8
110.03299	2.0
111.04549	1.5
116.92910	0.9
119.05016	0.9
121.02973	6.3
121.06521	1.1
122.03746	1.8
123.00882	1.2
123.04539	17.0
123.08183	0.9
124.01668	1.0
125.02457	16.1
126.59812	0.7
134.03761	1.2
135.04552	4.9
137.02461	31.6
139.04034	10.4
145.02966	1.4
146.03824	1.2
147.04530	3.4
149.02444	19.0
149.06079	1.7
150.03178	1.7
151.00288	1.1
151.04004	17.0
158.03767	0.9
159.04573	2.2
160.05273	3.1
161.02435	7.2
161.06110	5.6
162.03203	1.7
163.04010	8.0
164.01183	3.2
164.04794	1.5
165.01923	7.5
165.05554	0.8
167.03485	2.5
169.01474	1.7
173.06131	1.1
175.04039	3.4
175.07654	1.5
176.01192	1.3
177.01973	4.3
177.05605	3.5
178.02693	2.3
179.03516	7.6
180.04298	1.0
185.05916	1.0
187.03992	3.9
188.04741	3.2
189.01924	1.4
190.02644	0.9
191.03520	5.4
192.04291	1.5
195.06631	19.1
197.06122	1.7
199.07755	1.1
201.11301	0.9
202.06422	2.2
203.03500	1.8
203.07161	13.0
205.05069	10.6
209.11742	1.0
213.05595	3.0
215.07133	18.9
216.07391	1.6
221.08231	2.7
227.07327	1.4
229.05156	1.0
239.05592	3.5
245.08217	19.3
246.08626	1.8
247.06181	1.7
255.06570	1.0
257.08191	5.0
264.07935	0.9
265.08740	2.2
267.06522	2.5
271.06039	1.3
271.09784	2.4
281.08218	3.1
282.08990	9.9
283.06058	1.0
283.09390	1.6
289.07214	100.0
290.07571	8.4
297.07852	1.3
297.11343	29.9
298.11694	3.5
301.07193	53.3
302.07660	4.8
302.10669	0.9
313.07382	1.1
315.08768	3.7
343.11740	1.0
373.12445	0.9
373.25873	4.8
389.14429	1.3
389.25427	2.2
396.32813	0.8
417.94769	0.9
447.14517	18.9
448.15054	2.5
451.12469	15.1
452.12900	1.6
461.33423	0.9
463.12711	1.4
471.14642	2.7
599.19202	34.3
600.19476	8.6
761.24408	12.1
762.24005	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	761.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44994	1.2
57.03444	2.0
59.01098	1.7
59.01382	33.9
68.99835	2.1
69.19621	6.1
69.20026	3.6
69.56981	1.2
70.17445	1.4
71.01381	13.4
72.99305	4.4
73.02950	1.9
75.00876	15.1
83.01406	2.3
85.02957	15.1
87.00892	5.0
89.02450	4.1
93.03526	1.2
95.01388	4.5
99.00894	7.4
101.02445	5.1
113.02465	16.5
117.01916	3.1
121.02959	55.9
122.03290	3.3
123.00938	1.3
125.02450	2.3
156.22273	1.1
164.07112	1.9
165.01857	1.5
169.01413	2.8
175.02571	2.5
189.04021	1.6
195.06651	1.7
206.08191	2.3
225.07785	1.4
231.04977	2.9
249.06165	42.2
250.06630	2.1
264.20099	1.4
300.99817	1.4
371.09842	100.0
372.10275	12.3
373.10327	2.0
389.18210	67.8
390.18625	9.4
510.33325	1.4
511.14606	7.7
551.21130	1.7
625.25964	1.5
698.60364	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.2
59.01097	3.0
59.01382	50.3
61.10190	1.5
61.98568	2.0
61.98835	25.7
63.14556	1.8
69.07969	13.5
71.01379	11.5
72.99320	2.0
73.02944	5.0
82.95419	1.9
83.01367	2.4
83.80298	2.1
85.00413	5.0
85.02936	4.1
86.03425	1.6
87.00849	3.9
88.98783	5.0
89.02453	4.5
96.96001	4.4
97.02972	1.8
98.21848	3.6
101.02449	4.9
109.02946	4.9
113.02451	5.1
116.92844	9.8
117.92786	2.4
119.03471	2.3
121.02963	12.4
123.00907	3.1
123.04506	8.3
125.02447	10.9
134.03705	5.9
135.04489	8.2
136.01692	3.1
137.02457	13.5
138.03265	2.0
139.04048	2.0
145.03003	1.8
147.04506	1.9
149.02440	4.7
149.06131	3.2
151.04033	9.8
155.10803	8.6
161.06104	4.2
164.04843	3.8
165.01932	26.4
165.05432	3.0
166.02646	3.6
167.03450	3.9
169.01387	6.4
175.04066	1.5
175.07649	2.8
175.50279	1.9
179.03488	5.3
179.07126	3.5
180.04289	14.4
181.05035	4.4
183.10274	2.5
184.92534	1.6
191.07442	1.9
193.08696	2.3
195.06656	23.6
209.08148	7.2
209.11894	5.5
210.05554	2.1
225.07716	24.5
225.14955	4.2
226.08003	2.6
227.12914	20.2
255.06453	2.2
265.08752	2.3
269.08099	2.9
270.08905	3.0
271.09793	2.6
282.05316	2.2
282.08890	3.4
283.09631	4.8
284.10269	2.3
289.07205	4.9
296.10449	4.1
297.11276	14.9
298.04999	1.9
299.05316	2.8
300.05869	3.2
301.06741	3.4
311.12808	2.4
314.11508	4.9
315.08575	6.1
315.12109	4.0
316.08963	3.2
329.13904	19.7
343.12225	1.8
357.09753	6.5
369.19547	1.9
371.14899	2.3
373.16663	11.8
373.25830	2.4
417.12064	8.6
449.16071	2.5
451.12204	3.5
463.12354	8.6
473.18271	17.1
476.16895	3.4
477.17215	3.2
491.19257	91.3
492.19635	14.8
523.14417	4.3
533.20203	19.6
534.20459	5.5
551.22821	17.7
552.23053	6.2
599.25183	3.1
743.33081	13.0
744.33813	3.3
761.20166	15.1
761.33582	100.0
762.21930	2.2
762.34070	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98841	100.0
64.55833	18.9
69.23955	94.0
69.24382	56.5
73.08068	20.0
92.73074	19.1
93.20183	19.0
112.27664	20.2
113.09658	29.3
144.71751	18.9
181.08679	79.9
209.08249	52.2
238.08286	21.5
277.21777	33.2
281.24780	28.8
328.64243	20.6
392.63672	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13297	3.3
61.98838	12.1
71.01413	3.5
71.28391	5.5
72.33875	3.6
78.54624	3.6
109.03001	3.6
111.04513	5.6
132.37859	3.6
136.10632	3.6
143.72273	3.8
166.03877	4.1
181.08745	13.4
204.36609	3.9
209.08267	5.7
209.11807	62.7
210.12154	5.8
227.12889	17.2
235.08279	8.8
253.09315	11.6
279.23325	100.0
280.23627	9.4
515.32336	4.6
747.28003	4.1
761.42529	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	761.4257
Annotation	Unknow
Peak:m/z	Relative Intensity
58.84572	3.3
61.98822	9.5
69.43453	4.1
71.01392	3.3
71.17165	2.6
76.95662	3.1
84.31604	2.9
111.04562	3.4
124.80597	3.0
161.04649	3.5
181.08754	5.0
183.06673	3.2
209.08247	6.1
209.11841	100.0
210.12198	8.3
227.12894	21.6
253.09314	10.1
277.21793	3.6
279.23325	58.1
280.23663	6.0
351.12167	4.6
367.17078	3.4
445.20905	6.1
761.43359	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	763.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	22.2
71.28516	0.6
79.95769	1.9
95.01367	0.5
96.96017	68.8
97.06563	0.5
123.00914	0.4
125.02443	4.7
137.02419	1.0
147.08165	1.1
151.03961	0.5
153.33594	0.4
161.02460	0.8
163.11435	0.4
165.01874	0.5
167.03519	1.6
169.01440	2.1
177.01930	1.6
212.45558	0.4
225.11327	22.8
226.11745	2.1
229.01273	0.5
243.02840	0.5
249.03937	0.8
275.02014	1.0
289.07297	0.5
300.99725	2.5
301.99878	0.5
305.07010	100.0
305.77802	0.5
306.07327	7.1
319.05124	0.4
509.50833	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06289	0.2
59.01381	0.9
59.15776	0.2
60.99309	17.8
61.98836	2.3
62.85479	0.3
71.01381	0.6
73.34679	0.3
87.00866	0.5
88.98811	100.0
89.02455	1.4
89.09354	0.2
89.99156	1.5
96.96025	0.4
98.21800	0.5
107.46632	0.2
109.02959	0.4
113.02482	0.3
116.92848	0.3
125.02438	0.7
135.04549	0.3
137.02477	0.4
149.02406	0.3
164.04822	0.3
169.01521	0.3
171.10281	1.3
183.10316	0.4
195.06677	0.4
209.11865	0.9
211.13405	1.3
227.12782	0.3
262.18018	0.2
273.59741	0.3
289.07275	0.4
300.03448	0.3
323.99893	0.3
508.63614	0.3
763.32910	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99577	100.0
86.42142	0.8
96.96042	1.4
98.22546	2.0
112.98576	86.2
128.90134	1.1
132.82236	0.8
174.03934	0.8
411.82443	1.0
611.58344	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.6
60.10126	0.7
63.96236	1.2
66.29490	0.7
69.03455	1.3
71.01391	8.8
73.02944	1.5
73.18735	0.9
78.98598	6.7
79.95744	14.1
80.96525	76.5
81.03465	1.7
85.02956	2.9
87.00896	3.2
90.12956	0.7
94.98094	16.3
96.96056	1.1
97.02963	2.5
98.21759	2.6
101.02481	2.5
101.17245	0.9
106.98087	4.6
109.02951	1.0
111.04544	2.4
116.34291	0.8
122.97610	3.1
123.08174	1.1
125.02457	2.9
134.97609	5.2
136.99139	1.0
138.27487	0.7
148.99159	7.1
151.07689	2.2
152.98653	6.4
164.98636	11.0
165.09253	1.0
167.95416	0.8
181.08720	5.4
195.06676	4.6
206.99768	2.6
207.06732	2.5
209.08228	6.4
225.00746	19.0
229.37808	0.9
243.30780	0.8
255.23293	1.2
260.44559	0.9
260.47198	0.9
260.78482	0.8
317.14172	1.0
431.20734	1.8
507.15445	1.3
527.22913	3.1
537.27502	1.2
539.45685	0.9
595.32159	0.9
604.83917	0.8
763.39496	100.0
764.39844	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	763.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.9
57.03448	2.2
58.00590	0.8
59.01380	15.9
60.99312	0.6
61.98826	1.6
67.01893	1.6
68.99813	0.9
71.01387	14.0
71.28465	0.4
71.64280	0.3
72.99310	3.6
73.02964	1.6
75.00871	5.2
83.01392	4.2
84.02163	0.3
85.02955	11.7
87.00894	1.3
88.98811	1.4
89.02452	7.3
95.01391	5.3
95.01955	0.4
97.02958	1.1
99.00887	5.2
101.02448	0.9
111.00892	5.8
112.01723	0.5
113.02460	8.4
129.01962	0.9
131.03503	1.1
139.00377	3.6
149.04529	0.3
157.01424	1.0
190.98415	0.3
340.75385	0.3
364.84659	0.3
407.33142	0.4
437.34451	1.1
439.76102	0.3
453.33813	2.4
454.34363	0.4
455.35327	6.3
456.35709	1.5
483.34891	2.8
484.35327	0.5
497.36786	0.6
511.34052	0.7
523.38232	0.7
537.35889	1.1
537.43292	0.3
549.36188	0.4
551.37372	4.0
552.37817	0.5
557.23669	0.4
569.38635	2.1
570.39166	1.0
631.39032	0.7
763.42761	100.0
764.43109	29.1
764.58228	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
58.24285	1.1
59.01380	8.8
69.03471	1.2
69.46403	5.2
69.46808	2.5
71.01390	4.4
80.02692	1.8
81.03463	2.5
81.21151	1.2
83.01381	1.4
83.05028	2.6
85.02948	2.4
89.02454	2.4
97.02950	3.7
98.22409	2.2
99.00893	1.6
99.92574	1.4
101.02472	3.1
109.06600	28.3
113.02446	2.9
116.92866	17.6
119.03480	2.2
121.06618	3.3
124.69238	1.1
127.96504	1.1
135.08171	3.6
147.12651	1.1
163.11313	16.1
181.12422	2.2
182.12706	1.5
189.09221	3.0
207.10272	100.0
208.10565	7.1
209.08183	2.2
225.07881	1.5
225.11324	31.9
226.11609	2.2
232.03404	1.4
235.08276	3.6
253.09283	16.2
277.21738	75.4
278.22055	9.2
278.36771	1.1
299.15170	1.3
334.03714	1.3
441.33847	1.6
443.19235	5.4
461.20209	15.5
464.57239	1.6
467.31302	1.7
548.61652	1.2
721.41852	32.8
722.41821	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	764.4237
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.9
59.70211	1.1
61.98830	9.9
71.01392	2.6
71.28024	1.9
71.28373	1.7
73.02948	1.7
89.02441	1.2
97.02959	2.4
99.00883	4.4
101.02439	2.5
109.06578	1.6
113.02467	2.7
125.09715	2.3
132.32484	1.1
153.21898	1.3
163.11313	3.3
181.08684	2.1
181.12373	8.5
207.10287	25.2
208.10612	2.4
209.08179	2.0
212.73491	1.3
225.11327	55.9
226.11726	3.3
235.08212	2.4
241.81540	1.4
243.12366	7.2
253.09340	3.0
277.21735	100.0
278.22083	12.7
384.19699	1.4
443.19235	5.2
461.20258	6.4
483.78177	1.3
502.86551	1.3
530.34662	1.3
565.00861	1.3
631.00806	1.2
640.91730	1.4
721.41656	18.5
722.41943	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	764.4237
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.9
59.70211	1.1
61.98830	9.9
71.01392	2.6
71.28024	1.9
71.28373	1.7
73.02948	1.7
89.02441	1.2
97.02959	2.4
99.00883	4.4
101.02439	2.5
109.06578	1.6
113.02467	2.7
125.09715	2.3
132.32484	1.1
153.21898	1.3
163.11313	3.3
181.08684	2.1
181.12373	8.5
207.10287	25.2
208.10612	2.4
209.08179	2.0
212.73491	1.3
225.11327	55.9
226.11726	3.3
235.08212	2.4
241.81540	1.4
243.12366	7.2
253.09340	3.0
277.21735	100.0
278.22083	12.7
384.19699	1.4
443.19235	5.2
461.20258	6.4
483.78177	1.3
502.86551	1.3
530.34662	1.3
565.00861	1.3
631.00806	1.2
640.91730	1.4
721.41656	18.5
722.41943	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	765.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98121	0.9
56.60760	0.9
57.03450	4.0
59.01371	2.9
65.00333	1.9
69.15641	7.5
71.01382	4.0
71.14320	0.8
72.99325	1.8
73.33210	0.8
75.00870	1.8
75.61083	0.9
76.06384	0.9
83.01395	1.7
85.02959	1.9
87.00857	1.0
89.02431	1.1
93.03474	3.2
95.01410	1.5
96.95988	1.1
99.00892	1.7
101.02467	0.9
107.01381	4.9
109.02951	5.3
113.02461	2.7
121.02965	12.9
123.00941	1.4
125.02467	19.3
133.02963	2.5
137.02455	3.8
139.04036	2.6
147.00870	1.1
149.02460	5.5
149.03470	1.0
151.00392	12.3
151.04044	1.5
152.00984	1.1
155.05014	1.1
159.04550	1.8
161.02480	9.8
163.00372	4.2
164.01001	1.1
165.01921	1.2
169.01480	1.7
175.00404	2.8
175.04008	2.1
176.01181	1.1
177.01958	3.6
178.99869	5.0
183.04523	1.6
185.02460	1.3
187.04066	1.5
189.01996	1.1
190.99843	1.8
191.05612	1.2
192.00621	1.6
193.01430	15.4
198.03140	1.1
199.04030	16.9
200.04440	1.0
201.01955	6.3
201.05516	1.2
202.99786	1.5
203.03571	1.4
214.02692	1.2
215.03514	1.5
216.43063	0.9
219.02992	2.0
223.02513	1.2
225.02039	2.2
227.03555	2.8
229.01440	1.6
229.05049	1.1
231.03087	1.4
243.02989	100.0
244.03401	8.7
245.04579	4.1
249.06290	1.0
251.03494	1.7
255.02988	5.5
256.03452	1.1
257.04672	1.3
269.00977	9.9
269.03604	1.4
271.02490	3.2
273.04150	1.2
283.02515	10.8
285.04031	1.2
287.01965	1.3
295.02536	2.0
299.01938	1.5
301.00275	2.4
301.03558	55.2
302.03854	5.1
306.48721	1.1
313.06049	1.9
327.04950	1.8
327.55045	0.9
337.09659	1.0
343.04541	1.6
351.05090	3.1
358.27060	1.0
369.04593	9.5
371.09839	7.9
393.06247	2.9
396.26425	1.1
419.03946	3.4
437.05084	19.9
438.05438	2.9
445.05530	1.6
463.06750	5.1
477.06723	16.4
478.07193	1.9
519.07159	1.0
527.08704	1.7
589.10199	2.3
613.08325	74.4
614.08789	14.8
639.09735	2.6
671.02991	1.3
765.15338	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	765.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	6.5
61.98830	4.7
67.04394	1.7
70.77489	4.0
70.77836	2.8
71.01384	3.1
79.01898	2.1
83.01418	2.7
83.38280	2.1
95.05045	2.0
96.96049	4.5
97.02995	3.2
101.02438	2.9
105.28130	2.2
107.01380	5.3
109.02972	2.9
109.06613	2.2
118.13165	2.2
119.03532	2.0
121.02933	2.0
122.03661	2.0
123.00885	8.0
123.04611	2.6
124.01656	2.9
125.02462	66.9
126.02834	4.1
133.01740	1.9
137.02448	3.2
139.00398	1.9
139.04036	7.6
140.01155	2.9
149.02458	5.2
150.03365	2.1
151.00352	4.4
161.02438	2.0
164.04826	3.0
165.05586	2.8
165.09251	5.3
166.02727	4.0
168.00716	3.7
169.01447	88.5
170.01839	4.3
181.05142	3.2
183.10213	3.0
188.23384	2.0
202.13084	2.3
207.41257	2.2
209.08218	19.7
211.02498	4.1
295.04498	3.4
313.05685	26.0
314.05862	3.3
329.13916	3.6
357.13385	2.0
358.13837	4.4
406.16092	2.5
465.06647	17.6
466.07034	2.2
503.42996	2.2
675.15692	100.0
676.16217	19.1
688.58142	2.5
765.33301	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	765.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69926	1.5
59.01353	1.6
60.99320	8.5
63.86427	1.8
64.94123	1.6
71.29183	1.9
88.98815	32.6
95.01390	2.3
96.95998	2.1
101.02455	2.1
107.01417	7.9
109.02953	4.4
111.04822	1.6
114.91522	1.9
121.02984	3.6
122.03751	2.3
123.00925	8.8
124.01681	2.1
125.02461	43.3
137.02420	3.1
139.00366	5.8
139.04007	2.6
140.01198	2.6
147.04620	2.0
150.03278	2.4
150.88109	1.7
151.00357	8.4
151.03978	1.7
165.05566	4.9
167.03525	2.4
168.00664	2.5
169.01443	56.4
177.01924	2.2
183.02982	5.9
211.21786	1.8
225.07584	1.9
229.05106	2.0
262.28995	1.8
264.68704	1.9
275.01794	2.6
301.00000	2.0
313.05643	18.9
321.38098	1.8
324.99854	2.2
347.15045	3.3
361.16504	7.3
466.74860	1.7
675.22974	100.0
676.23334	24.9
727.18811	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	765.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	2.6
57.03440	3.2
59.01385	33.2
61.98833	16.9
69.64368	10.7
71.01392	14.7
71.05029	3.5
73.02949	3.1
82.95430	2.5
83.01391	2.7
88.98854	2.3
89.44444	2.1
93.03479	3.9
96.96028	16.8
98.22543	2.3
101.02457	6.1
106.10156	2.2
108.02230	5.8
109.02979	5.1
113.02483	4.0
121.03003	2.6
122.03759	9.4
123.04537	7.2
125.02473	3.3
134.03757	3.2
139.11299	46.5
139.12323	3.4
147.04500	2.4
149.02452	20.5
149.06102	4.1
150.03244	45.3
151.03998	3.8
152.01208	4.6
152.18452	2.2
163.11394	2.3
164.04820	4.9
165.05597	33.3
165.09212	3.1
166.06259	4.8
167.07143	5.5
179.03513	2.8
179.07146	5.7
180.04362	2.6
181.04889	2.6
181.08673	5.6
181.12325	10.4
183.10286	41.5
184.10646	4.0
195.06636	8.0
199.13446	2.6
225.11307	5.2
240.68839	2.2
243.12317	16.8
314.11609	3.5
325.12912	2.3
329.13928	7.0
361.18906	5.9
403.16165	4.8
473.18298	10.0
503.34070	5.8
521.20557	2.9
568.25409	14.5
569.25793	4.3
623.26941	5.0
657.29175	3.4
705.31738	4.9
717.31317	5.1
729.31879	2.9
747.32428	22.0
748.33099	7.2
765.33545	100.0
766.21460	4.3
766.33850	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65374	0.3
60.15166	0.2
60.99310	17.4
61.98833	1.3
66.27357	0.3
71.28487	0.4
78.74969	0.3
87.00876	0.8
88.00406	0.7
88.56594	0.3
88.98813	100.0
89.02463	3.7
89.99136	1.6
98.30023	0.3
106.19937	0.3
116.92853	2.5
191.80260	0.3
201.58466	0.3
208.08456	0.3
449.84589	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
58.70335	0.5
59.01386	0.8
59.08208	0.7
59.69954	0.6
59.98025	0.5
61.98808	0.8
63.96231	1.8
64.80043	0.6
69.03458	0.9
69.19096	3.1
69.19501	1.1
71.01395	8.3
73.02949	1.8
78.98600	7.1
79.95740	14.0
80.96522	81.5
81.03461	1.1
83.01407	0.9
87.00899	3.0
91.46107	0.6
94.98093	19.4
96.96034	1.5
97.02941	1.7
99.00864	0.6
100.67673	0.6
101.02466	1.7
106.98105	2.8
122.97598	3.4
124.53542	0.6
125.02442	2.9
126.33489	0.6
134.97583	5.4
136.99194	1.1
145.49178	0.6
148.99164	6.6
152.98642	6.5
164.98643	13.7
165.00031	0.7
167.00143	1.0
167.98445	0.7
206.99724	2.4
209.08205	1.0
209.11935	1.7
224.45195	0.6
225.00755	21.7
226.01149	1.4
243.01817	0.7
255.23317	1.6
277.21570	1.0
379.75027	0.6
400.07388	0.7
509.16946	1.7
537.26990	1.3
551.81335	0.7
717.80847	0.8
736.68500	0.8
765.41003	100.0
766.28009	1.4
766.41479	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	765.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.2
61.98838	1.1
63.96226	1.1
69.03470	1.1
71.01393	9.4
73.02948	1.6
78.98605	5.8
79.95740	14.9
80.96520	81.4
81.03451	0.8
87.00877	2.8
88.64197	0.7
94.98092	17.1
96.96009	1.0
97.02956	2.0
98.83365	0.7
101.02464	2.3
101.40909	0.6
106.98084	3.3
111.04576	0.7
122.97604	3.2
125.02461	3.8
127.04066	1.0
131.14645	0.8
134.97615	5.6
136.99179	1.2
148.99158	6.4
152.98634	7.0
156.71388	0.6
164.98630	13.6
165.09167	0.8
181.08745	0.9
195.06790	0.6
206.99706	3.2
209.08191	2.1
209.11813	1.9
225.00743	23.4
226.01186	0.9
255.23355	1.4
277.21625	4.0
445.22330	0.8
505.82748	0.8
509.17072	2.6
537.27460	1.6
765.41016	100.0
766.41315	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	765.5164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09377	2.3
59.01374	13.8
61.98836	3.0
70.47526	5.3
71.01391	23.6
72.99303	5.6
75.00879	22.9
76.07834	2.5
78.95930	3.2
80.96535	5.3
85.02961	26.1
87.00877	7.8
89.02449	2.8
95.01368	5.8
99.00880	11.5
113.02476	32.0
115.00455	2.9
128.53589	2.2
137.17772	2.5
175.02478	4.6
207.66603	2.3
249.06271	3.0
255.23341	49.9
256.23633	2.8
277.21759	65.1
278.22122	5.9
527.28308	4.0
694.69464	2.8
765.51587	100.0
766.51984	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	766.4387
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	2.3
67.08799	0.8
70.84142	0.6
71.01379	2.2
71.28036	0.7
75.07946	0.6
75.35968	0.7
79.12080	0.7
80.02673	1.3
83.05035	4.6
89.02427	1.9
101.02432	2.0
161.04582	1.1
163.11293	3.0
165.12871	1.7
173.14893	0.7
184.30688	0.7
191.10825	1.3
209.11842	100.0
210.12167	8.5
227.12881	11.5
235.08371	0.9
253.09221	6.5
277.21738	48.9
278.22086	4.3
445.20877	2.3
757.07953	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.4382
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.6
59.89710	0.8
67.91998	0.6
69.93496	2.1
71.01376	2.5
73.02957	0.9
81.03454	0.6
82.39946	0.5
83.05029	2.1
85.29354	0.5
87.00904	1.0
89.02450	1.2
91.35908	0.5
96.96040	0.7
101.02446	2.8
113.02459	1.6
119.03493	0.6
131.53308	0.6
132.33090	0.6
135.08099	0.6
145.05092	1.3
150.77899	0.5
161.04634	1.1
163.11287	1.8
165.12828	1.3
194.53241	0.6
209.11842	70.4
210.12190	5.1
227.12886	9.6
235.08257	6.9
253.09315	8.8
277.21732	100.0
278.22089	12.7
292.37936	0.6
301.89655	0.7
601.87225	0.7
719.67328	0.6
770.35278	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
59.64214	0.4
60.79746	0.6
70.56448	0.9
97.96543	0.5
98.22553	0.5
99.00858	0.8
99.92591	14.3
112.99328	0.5
116.92870	100.0
117.01964	1.0
117.92869	5.3
135.04544	0.9
161.02481	1.4
163.04028	1.0
165.23219	0.6
179.03432	0.7
609.87891	0.6
630.09326	0.6
649.37433	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	767.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06598	1.4
60.99314	19.4
61.98834	2.4
66.39588	1.1
72.84157	1.2
88.98815	100.0
89.02496	2.1
91.24578	1.4
95.15165	1.1
96.96050	2.0
104.58353	1.2
112.07627	1.1
116.92878	5.2
117.17160	1.5
199.11977	1.5
278.70471	1.5
330.24939	1.4
608.69421	1.3
720.20569	1.5
760.72162	1.6
768.50568	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	767.4926
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79238	0.2
60.99309	16.2
61.15120	0.2
68.80728	0.2
71.70318	0.2
87.00900	0.3
88.00417	0.5
88.98812	100.0
89.02450	2.2
89.99129	1.1
108.02201	0.3
114.19189	0.2
125.02486	0.3
125.81990	0.2
137.02397	0.2
151.44069	0.2
210.01076	0.2
229.97618	0.3
250.29065	0.2
302.19379	0.2
374.79688	0.2
632.87457	0.2
677.49341	0.6
678.50348	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.5318
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.5
59.01381	12.9
71.01382	18.6
72.99310	7.5
75.00876	21.7
85.02953	22.8
86.12339	1.4
87.00890	7.0
89.02463	3.2
95.01389	7.4
99.00883	12.6
103.00387	2.7
111.03052	1.3
113.02460	26.9
115.00404	2.1
117.01929	3.4
122.81396	1.3
129.01953	3.1
175.02509	6.0
181.08725	1.4
193.03583	1.6
249.06123	3.1
255.23308	39.9
256.23718	3.9
279.23297	67.3
280.23669	5.5
321.45325	1.4
414.15463	1.4
487.28918	1.7
505.29874	2.1
529.30383	4.6
557.80634	1.7
767.53162	100.0
768.53516	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	768.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.2
59.02232	0.1
61.98834	100.0
62.98542	0.1
62.99220	0.1
71.01393	0.5
78.95911	0.2
79.95741	0.2
80.96492	0.2
86.88048	0.1
89.02459	0.2
94.98132	0.2
96.96024	3.9
96.96992	0.3
101.02469	0.2
108.02174	0.1
109.06631	0.2
113.02469	0.1
116.92887	0.3
119.30419	0.1
123.00921	0.1
123.04559	0.2
125.02455	0.2
132.59496	0.1
134.94586	0.1
137.02495	0.2
149.02521	0.2
151.04114	0.1
161.02458	0.1
171.10370	0.1
179.07195	0.1
194.44395	0.1
207.10371	0.4
209.08340	0.1
209.11922	0.4
225.11407	0.3
255.58406	0.1
376.97675	0.1
504.78305	0.1
537.13873	0.1
725.99347	0.1
769.33661	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.3666
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35161	0.1
53.98589	0.1
58.68796	0.1
61.98834	100.0
62.98546	0.3
69.15268	0.9
70.99106	0.1
75.84521	0.1
78.63089	0.1
79.95743	0.2
80.96549	0.2
88.98856	0.3
96.96038	0.1
98.22556	0.3
116.92875	0.3
125.02475	0.2
163.17932	0.1
187.00320	0.1
209.12068	0.1
339.33856	0.1
768.31110	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	770.4328
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
65.80003	0.3
69.21537	1.9
79.25323	0.2
80.96555	0.4
111.04592	0.2
114.09590	0.2
139.18121	0.2
158.64224	0.3
181.08759	0.5
209.08257	0.5
209.11961	0.4
263.12946	0.3
291.22733	0.3
299.73499	0.3
391.88297	0.3
454.85580	0.3
534.21979	0.3
771.40704	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	6.4
61.98837	39.3
67.01894	2.2
69.58170	8.2
71.01385	6.8
72.99303	2.0
76.69723	1.7
79.54750	2.1
82.15658	1.7
82.95428	20.8
83.01443	1.9
85.02942	2.6
95.01409	8.4
96.96059	9.2
97.02980	3.5
99.92611	2.6
101.02452	3.2
103.67502	1.9
107.01408	24.4
108.03921	1.5
109.02940	2.6
111.00876	5.5
112.32566	1.8
116.92880	7.0
117.92861	2.7
118.92704	2.2
123.00906	29.4
124.01704	3.0
125.02460	97.0
126.02781	4.0
127.00436	2.7
139.00407	9.4
139.01311	2.0
140.01195	7.7
141.01875	3.1
151.00417	3.1
165.09238	2.8
166.99887	5.5
168.00691	9.9
169.01448	100.0
170.01755	4.8
171.10254	2.9
191.03450	1.8
195.82133	1.9
207.10284	5.8
209.08252	7.8
209.11861	15.9
211.13489	2.0
225.11391	5.5
227.12881	1.8
249.04169	3.1
253.09349	3.8
285.20911	2.1
325.20288	2.3
327.21762	6.8
357.26343	4.3
433.18597	2.2
449.18320	6.7
467.19403	19.0
468.19330	3.9
501.30762	12.8
516.30884	2.5
519.31934	5.4
601.19464	19.4
602.19684	2.2
619.20337	32.6
620.20703	6.3
771.21393	99.1
771.42499	4.4
772.21783	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	771.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97045	2.0
59.01371	3.6
61.98837	15.0
62.86386	1.7
71.01376	3.7
81.15916	2.4
86.65376	2.3
87.00877	2.3
88.98801	2.4
90.63367	2.2
96.96022	3.4
98.22612	3.5
101.02393	2.2
107.01407	4.2
111.00860	2.8
111.34746	2.0
116.92834	3.2
123.00893	9.0
125.02454	39.7
137.02464	2.3
139.00403	2.8
151.00398	6.2
163.70856	1.9
168.00676	3.9
169.01437	50.9
181.01515	2.9
181.05009	2.0
193.08702	2.4
211.02448	7.1
219.02936	1.9
228.69550	2.1
271.04636	4.9
313.05673	5.1
385.09131	2.3
394.29462	2.4
483.07727	5.1
583.23682	8.8
735.25092	100.0
736.25580	21.9
803.15576	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	771.228
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	4.4
61.98837	5.4
71.01411	5.0
71.29631	4.6
93.11426	3.6
93.91501	3.7
95.01400	5.6
95.25562	4.2
96.96016	21.4
98.67657	3.2
107.01419	8.8
109.02946	6.9
111.00892	4.9
121.02958	4.1
123.00893	14.4
125.01548	5.1
125.02458	100.0
126.02797	6.0
127.00305	4.2
135.04529	3.5
137.02466	13.8
139.00423	7.6
149.02405	4.4
150.03242	7.5
151.00375	13.6
151.04004	11.1
161.02429	4.6
164.01180	4.0
165.05536	5.5
166.02682	10.0
166.99754	5.7
167.03526	8.2
168.00636	12.5
169.01447	96.4
170.01779	5.1
177.01956	11.6
181.05106	29.0
182.05737	7.5
183.03020	8.4
194.05954	3.8
195.06641	7.8
196.07404	18.7
211.09682	6.5
215.39543	3.3
271.06247	4.0
289.07077	4.2
301.10760	7.3
305.06653	4.5
313.05634	20.7
370.42377	4.0
444.52045	3.5
489.12213	3.7
523.14856	34.5
524.14893	5.2
589.27521	4.0
735.24976	92.1
736.25537	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
71.57789	1.0
91.50929	1.0
109.06611	2.3
111.04532	15.7
113.09734	9.3
123.08208	1.7
123.27828	0.9
125.02454	1.4
138.66647	1.3
151.07639	4.9
153.05536	0.9
162.71031	1.0
165.09198	4.0
166.06340	1.1
167.07164	1.5
176.62833	1.1
181.08714	44.9
182.08995	2.8
195.06659	11.3
196.89510	2.6
207.06682	1.8
209.08188	11.0
210.66629	0.9
247.09894	1.5
249.11389	2.7
311.12823	1.4
312.10126	1.1
324.13602	1.0
325.14343	1.4
338.15350	1.4
339.15912	2.0
341.11063	1.0
348.13211	1.1
355.19116	3.0
363.15915	1.3
364.17300	1.0
367.15417	2.1
369.13300	2.3
379.19150	4.7
381.17062	6.5
421.20386	1.4
423.18134	2.8
427.21124	2.7
433.23822	1.8
449.23376	1.9
451.25424	1.2
465.19452	1.5
487.53693	1.0
491.24500	3.7
535.23419	100.0
536.23773	17.6
536.31958	1.3
545.28979	1.2
589.28143	32.7
590.28528	6.9
645.64227	1.0
771.37665	17.3
772.37750	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	771.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34053	0.7
69.39557	2.1
69.39970	0.8
69.93579	0.5
72.35697	0.6
73.02963	5.5
85.02975	0.6
92.48902	0.7
96.96024	1.1
98.22497	0.9
117.03496	1.2
123.04507	0.5
161.02412	0.6
165.01915	0.7
170.77675	0.6
226.06378	0.7
253.05063	1.6
254.05708	0.9
281.04532	6.7
282.02094	1.1
282.05350	59.9
283.05728	6.5
297.07703	100.0
298.08029	11.2
391.29898	0.6
429.33585	0.8
473.32730	68.5
474.33154	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	771.4184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68319	0.8
55.01882	1.6
55.62442	0.9
57.03433	2.4
58.00603	1.6
59.01384	12.9
60.79551	0.9
61.98819	3.6
67.99201	0.9
69.03451	1.9
69.17850	6.4
71.01385	33.0
72.99303	2.7
73.02944	7.2
80.02661	1.3
81.03442	1.6
82.95433	1.1
83.01382	1.8
83.05038	5.1
85.02946	6.5
85.88230	1.0
87.00887	5.1
89.02451	7.5
90.98597	1.2
95.01394	1.7
95.05028	4.1
96.26845	0.9
96.96010	7.3
97.02965	10.3
97.06596	3.2
97.07229	1.0
99.00867	2.8
99.92587	1.2
101.02445	9.0
106.29394	0.9
107.05032	1.1
109.06592	10.8
110.03697	2.2
111.00877	1.5
111.04497	1.2
111.08172	3.1
113.02451	4.4
116.92860	2.1
119.03557	1.7
121.06622	1.6
123.08163	2.0
125.02489	1.5
125.06092	1.4
125.09738	7.1
127.11287	5.7
135.08182	1.5
137.02481	1.5
137.09727	2.9
139.07704	1.6
143.03482	2.7
145.05058	2.0
149.09697	1.1
153.09178	2.2
153.12849	1.1
155.10771	2.4
161.04556	3.0
163.11301	12.3
165.09195	2.1
165.12856	4.3
167.10728	1.0
169.01422	1.0
169.12328	2.1
171.10280	100.0
172.10600	4.1
179.05582	1.2
179.10739	2.3
181.12384	5.8
183.10260	1.2
185.11815	5.9
187.09721	1.0
189.09229	3.2
197.11844	10.2
201.11337	44.3
202.11647	2.3
207.10284	28.7
208.10599	2.7
209.11848	46.3
210.12155	2.9
211.13432	5.4
215.12831	3.7
225.11333	64.0
226.11688	3.9
227.12827	6.4
235.08260	8.3
243.12373	4.9
245.19191	2.2
247.20676	2.4
253.09302	27.0
254.09740	1.3
273.18564	1.4
288.36768	0.9
289.18127	4.0
291.19699	38.0
292.20056	4.5
295.10187	1.9
307.19101	3.2
309.20731	57.6
310.21042	8.0
341.23322	1.2
378.05502	1.1
407.18967	1.5
443.19135	3.0
443.68118	1.2
461.20367	13.5
479.21231	1.8
493.31857	1.3
753.40649	4.1
754.41223	1.5
771.41949	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	771.5061
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50623	0.4
56.41206	0.4
62.05500	0.3
66.06876	0.4
69.75889	0.8
69.76283	0.9
77.39746	0.4
89.04504	0.4
90.15137	0.3
98.22484	0.5
98.43256	0.4
109.63167	0.4
116.92873	0.8
138.71991	0.4
161.47078	0.4
183.57283	0.4
183.98010	0.4
186.04314	0.4
207.69531	0.4
275.37216	0.4
395.29706	1.2
407.33313	0.8
423.32718	2.0
425.34143	0.8
437.84995	0.4
445.80188	0.4
451.31290	0.4
467.31693	0.8
469.33246	100.0
470.33578	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.161
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.5
59.01383	24.3
63.93310	0.3
70.33009	1.0
78.80742	0.3
79.95736	2.2
96.96018	79.6
97.06599	0.7
109.02979	0.9
121.03043	0.4
123.04536	0.6
125.02459	4.2
128.98041	0.5
135.08136	0.8
137.02428	0.5
140.40546	0.3
147.08163	1.1
149.02423	0.4
151.04010	0.8
161.02498	0.8
164.01114	0.6
165.02097	0.4
165.09288	0.4
169.01479	0.5
175.04062	0.4
177.01930	1.1
181.12347	0.3
225.11325	21.3
226.11670	1.2
237.12120	0.4
243.02869	0.6
249.03986	0.4
287.05612	0.7
289.07162	0.7
301.00012	1.1
305.07019	100.0
306.07312	7.0
353.17548	0.4
467.08450	0.7
509.50931	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	8.0
70.59345	11.4
83.01398	8.9
96.96031	11.8
97.02959	6.3
100.90815	4.3
108.02189	10.3
109.02958	32.6
121.02872	6.3
123.00924	5.1
123.04529	9.8
125.02475	62.6
125.27087	5.1
127.95387	5.1
137.02475	55.7
149.02446	15.7
150.03217	5.7
151.04033	5.8
159.04549	8.4
161.02473	23.7
163.04039	5.2
164.01106	13.5
165.01942	22.1
167.03487	4.7
169.01419	12.5
175.03963	7.2
176.48950	4.8
177.01906	17.7
179.03577	4.8
191.46455	5.4
201.05627	5.5
203.07141	7.7
205.05060	10.2
213.05614	6.4
229.05165	5.9
241.05066	10.5
243.02943	8.3
243.06641	5.7
245.08240	7.6
247.06108	7.3
265.04919	7.3
267.06451	6.0
279.06250	5.5
281.04474	7.0
283.06009	5.2
289.07257	27.8
291.06735	11.1
293.04654	6.8
300.99829	6.9
303.06577	5.1
307.06061	6.4
315.06714	6.7
343.05859	7.3
361.06940	7.4
379.57516	5.5
397.08939	5.6
402.56680	5.4
407.07492	6.2
415.08243	14.8
483.10834	8.9
525.11395	6.8
567.13013	5.5
609.13849	7.1
621.14099	77.3
622.14368	19.5
729.19543	6.9
773.18890	100.0
774.18890	34.9
797.34064	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	773.197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	27.0
60.82223	0.7
62.82412	0.7
69.30684	1.3
69.31092	3.5
69.37424	0.7
79.95753	1.3
82.32539	0.8
87.12379	0.7
96.96017	77.5
98.22446	1.6
125.02435	2.4
147.08154	1.5
153.23267	0.7
169.01370	0.7
171.55818	0.8
184.31793	0.8
206.35381	0.8
225.11317	26.6
226.11693	2.7
275.01843	1.2
301.00031	1.0
305.07019	100.0
306.07401	8.6
458.14893	0.9
475.16003	0.8
644.82306	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.4332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.4
57.03451	1.1
59.01382	5.8
61.98834	5.8
64.58620	0.5
69.03459	1.5
69.11211	1.1
69.11623	1.8
71.01382	6.3
72.99300	0.9
73.02952	0.9
75.00826	0.6
79.36392	0.4
79.95781	0.5
80.02704	1.0
80.91660	0.5
81.03480	1.3
81.90796	0.4
81.91289	0.4
82.95440	0.9
83.01393	1.4
83.05032	4.8
84.02164	1.1
84.95096	0.4
85.00465	0.7
85.02946	6.0
87.00883	1.7
87.04548	0.4
88.98828	0.7
89.02452	3.6
93.03483	0.6
95.01398	1.0
95.05050	1.2
96.96018	5.5
97.02964	1.3
97.06609	1.8
98.21794	0.9
99.00909	0.9
99.92581	2.8
101.02458	4.9
107.05019	0.5
108.02202	0.9
109.03022	0.5
109.06625	0.8
111.00929	0.5
111.08201	0.5
113.02454	2.7
116.92871	18.7
117.92909	1.1
119.03502	0.7
124.01669	0.4
124.68407	0.4
125.02445	2.1
125.06081	1.3
125.09719	1.1
126.02850	0.4
127.11311	0.8
135.08170	1.2
137.02441	0.8
137.09764	2.0
139.04146	0.4
143.03552	0.6
145.05069	0.5
151.03999	0.7
155.10782	0.6
161.04573	1.9
163.11276	4.3
165.12849	2.2
169.01434	1.3
171.08794	0.8
171.10281	17.2
172.10593	1.0
177.12920	0.4
179.05574	0.6
181.12332	0.9
183.13919	1.9
185.66898	0.4
191.10780	1.3
193.12308	0.6
197.11836	0.5
201.11295	0.8
207.10257	0.8
209.11842	100.0
210.12183	8.0
211.13400	7.0
212.13702	0.6
221.11858	1.2
225.11270	0.9
227.12903	12.2
228.13205	0.7
229.14450	4.7
235.08215	7.9
239.12978	0.9
247.20691	0.5
253.09290	18.3
254.09804	1.2
291.19601	2.2
309.20761	6.6
310.21124	1.0
327.21771	55.8
328.22162	5.9
357.26443	0.6
387.11249	0.4
445.20807	1.5
469.19833	0.5
519.33124	0.4
529.85980	0.4
545.29620	1.5
554.18225	0.5
563.30170	2.1
620.20593	0.5
621.21027	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	775.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48927	1.2
55.13581	1.1
59.01375	5.3
61.98834	13.1
65.00309	2.4
67.08505	1.2
69.90743	2.5
69.91123	2.3
71.01363	4.1
80.91741	1.2
83.01391	2.9
85.02937	2.4
88.98821	1.9
96.96012	3.3
97.02938	3.0
101.02435	1.6
107.01383	4.1
107.05005	1.4
108.02197	3.7
109.02975	10.1
110.29731	1.3
111.00964	1.4
113.02454	2.5
116.92858	4.1
121.02937	5.9
121.67554	1.3
123.04521	5.0
124.01698	2.0
125.02425	6.3
133.02975	1.9
135.00923	1.7
135.04529	1.9
135.43449	1.3
137.02443	6.6
139.04021	2.4
140.85545	1.5
147.04579	1.7
149.02440	4.8
151.00380	13.3
151.04034	4.1
159.04466	1.7
161.02432	4.8
161.06059	1.8
162.03134	1.6
163.00363	3.6
164.01175	3.8
164.04738	2.2
165.01923	5.4
165.05536	2.1
169.01396	3.8
171.10402	1.3
175.03949	2.2
177.01947	1.9
178.99895	7.2
179.03493	5.0
179.07129	1.9
180.60210	1.3
184.21999	1.3
187.03979	2.7
191.03520	3.0
199.03966	1.7
205.05022	2.1
209.11835	5.0
211.04063	2.5
213.05501	2.8
215.03503	1.9
215.07161	3.1
225.11188	2.0
226.02716	3.4
227.03430	5.1
239.07083	1.3
241.04922	1.5
243.03008	13.9
244.03506	1.8
254.02100	2.2
255.02998	34.9
256.03375	3.0
257.04639	2.0
269.04614	3.9
271.02512	70.0
271.09741	1.9
272.03067	8.5
273.04245	1.7
285.04062	8.1
289.07230	5.1
299.01932	3.9
299.09171	1.8
300.02777	100.0
301.00015	3.1
301.03525	53.0
301.07117	5.4
302.03827	4.5
314.04346	18.7
315.05048	12.6
315.08804	4.2
423.23016	1.3
437.11044	1.3
459.13007	3.6
463.08890	13.0
464.08917	2.0
477.10263	5.2
527.81836	1.5
581.14337	4.3
582.14795	1.7
613.17090	13.6
614.17493	2.0
775.18683	53.4
776.19055	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	775.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	6.6
61.28449	3.5
61.90313	3.9
61.98831	29.5
71.01382	7.5
71.28458	3.7
71.35941	3.2
89.02425	3.3
101.02473	3.6
109.06598	8.1
111.04553	4.7
129.57707	3.9
143.03488	5.2
161.04533	3.7
163.11263	9.3
171.10297	25.7
181.08713	4.4
185.52296	3.6
185.65181	3.8
189.09177	4.5
199.09721	12.9
201.11330	8.2
207.10231	35.2
225.11314	96.2
226.11761	8.0
235.08197	10.8
253.09264	17.4
277.21710	100.0
278.22061	9.5
326.50729	3.4
420.60107	3.8
443.19171	16.5
451.05872	3.9
461.20166	26.8
462.20663	5.7
695.39722	17.6
696.40302	5.0
721.41656	36.4
722.41571	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	775.441
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	29.1
68.99908	100.0
69.00334	54.7
80.35191	16.7
102.05750	19.6
106.90645	15.7
167.60016	16.6
181.08688	76.4
182.09079	17.3
194.51601	15.9
195.06639	71.1
209.08322	33.6
211.13477	30.3
219.83070	14.5
315.86877	18.6
392.59216	16.2
404.55917	17.8
474.03116	18.0
539.21838	37.3
593.25409	22.8
775.35193	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4659
Annotation	Unknow
Peak:m/z	Relative Intensity
66.88686	0.1
71.28616	0.1
76.92062	0.1
78.95911	8.4
79.95306	0.3
79.95747	3.6
94.98094	0.2
96.96022	100.0
96.96933	11.4
97.95960	0.3
120.77247	0.2
125.02477	0.4
154.30470	0.2
161.94086	0.1
167.03358	0.2
431.94220	0.1
469.59833	0.2
740.31580	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.5331
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
66.41106	0.3
98.22551	0.6
148.78603	0.3
153.26036	0.2
164.76767	0.3
218.37219	0.2
319.70456	0.3
406.58649	0.3
503.07788	0.3
544.43811	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.5329
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42773	0.2
61.98833	100.0
62.98547	0.2
71.06109	0.2
81.37690	0.2
100.14622	0.2
138.49901	0.2
192.47215	0.2
253.76093	0.2
482.12134	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08543	0.4
57.03442	1.6
59.01384	7.6
64.05452	0.4
67.01888	0.5
68.99820	1.4
69.03468	1.0
69.15711	3.0
71.01387	9.4
72.99316	2.8
73.02956	1.0
75.00876	11.0
75.04736	0.3
81.03468	0.6
83.01385	1.3
83.05066	0.5
85.02961	10.6
87.00873	4.1
89.02443	2.4
91.03978	0.6
93.03487	0.8
95.01405	2.9
96.96014	1.5
97.02975	0.4
99.00896	6.5
100.01215	0.5
103.00383	1.1
109.02975	0.7
111.00842	0.5
113.02462	11.4
115.00394	1.1
117.01965	2.0
121.02966	52.8
122.03284	2.6
125.02457	1.5
129.01930	1.4
139.00323	0.5
151.03987	0.5
157.01393	0.7
169.01492	0.6
175.02461	1.2
189.03976	0.6
231.05093	3.8
243.06604	3.8
249.06174	35.4
250.06578	2.0
300.99924	0.6
353.09033	0.8
371.09842	100.0
372.10184	11.2
523.47455	0.5
538.72784	0.6
726.94373	0.4
789.73792	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38979	0.3
58.72957	0.4
59.28651	0.3
61.98829	3.0
69.04704	3.8
88.10192	0.4
92.89772	0.4
93.03455	0.7
95.05028	0.6
107.05022	0.7
108.02212	0.4
116.92834	1.9
121.02971	5.5
123.00853	0.4
123.04593	0.8
123.54530	0.5
135.04538	19.9
136.04887	1.1
137.02432	1.1
144.72290	0.4
148.05281	0.7
149.02454	52.1
150.02795	2.1
151.00352	1.8
151.04036	0.6
154.56129	0.4
163.07590	1.1
164.04803	100.0
165.05125	5.1
166.02731	4.5
167.03198	0.6
167.07803	0.5
179.07149	76.4
180.07463	4.2
181.05077	6.4
235.91682	0.4
249.09679	0.4
387.10150	0.6
387.14914	2.8
402.13495	0.6
402.53195	0.5
403.13715	0.5
405.05212	0.4
416.14557	0.6
417.15509	10.7
418.15753	1.3
515.96613	0.4
567.21936	0.4
579.22119	1.8
597.23218	2.2
598.23853	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.5
59.25245	1.9
61.02515	1.7
61.60550	1.6
61.98829	7.0
69.09035	13.1
71.01388	2.6
89.02480	3.5
97.83994	1.6
98.07027	1.9
101.02480	2.4
117.50672	1.8
171.10271	3.2
179.05681	2.1
200.44185	1.8
201.11317	43.3
202.11699	3.1
209.11841	78.3
210.12212	5.6
225.11478	2.5
227.12885	15.5
235.08168	10.6
253.09319	18.2
255.55350	1.7
277.21750	100.0
278.22073	12.9
419.19458	2.9
437.20740	3.6
445.20764	7.2
513.30939	7.1
514.31085	2.7
694.69385	1.8
777.42120	12.8
778.39862	2.3
788.04852	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	778.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48188	4.4
57.52784	4.5
61.98824	13.0
71.28252	5.4
79.30196	4.2
83.33036	5.2
87.05664	11.5
89.11185	4.4
90.39291	4.5
96.96015	10.8
97.04094	4.4
122.04886	6.3
129.10381	24.8
139.08794	5.9
146.06143	7.4
155.08270	19.0
165.10313	13.9
182.13023	7.8
200.14032	5.9
207.15057	9.2
208.08136	4.5
224.17720	6.8
225.16264	5.0
225.94229	4.4
232.56023	4.5
242.11810	10.3
242.18745	20.6
312.17252	32.3
329.19974	8.7
330.18390	16.0
461.66043	6.0
573.25354	4.8
573.36969	6.8
583.63776	5.4
698.46356	29.6
699.46478	9.5
714.45483	7.0
724.43762	24.6
725.44275	6.9
742.45209	100.0
743.45642	28.5
807.76862	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	779.0741
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	2.4
63.71113	1.8
65.00333	2.5
71.01388	3.0
71.29113	1.9
74.34267	1.8
74.85120	1.5
80.09501	1.7
93.03472	1.7
93.78792	1.9
96.96062	1.9
107.01418	7.3
109.02956	4.6
115.23701	1.6
121.02969	7.0
149.02419	1.8
151.00380	29.4
163.00378	5.0
169.01451	1.9
178.99876	14.4
201.05675	2.4
226.12578	2.0
229.01321	2.4
245.04634	3.2
251.90494	1.7
255.02934	4.4
283.02625	3.3
283.99731	2.0
289.07278	2.2
300.99945	57.7
301.03571	100.0
302.00403	4.6
302.03967	10.3
347.11984	4.8
477.06790	59.1
478.06982	6.9
602.66815	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	781.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
60.94237	4.5
68.46003	4.0
69.37573	25.0
73.04624	6.1
78.95912	50.4
87.00921	5.3
89.02419	4.6
96.96967	100.0
125.02446	18.2
133.22112	4.9
137.02399	8.0
140.42604	6.8
162.15073	5.1
177.01967	10.6
180.09244	4.5
300.99924	10.0
305.06876	7.7
341.11017	10.9
439.08511	18.5
441.08020	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	781.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
60.94237	4.5
68.46003	4.0
69.37573	25.0
73.04624	6.1
78.95912	50.4
87.00921	5.3
89.02419	4.6
96.96967	100.0
125.02446	18.2
133.22112	4.9
137.02399	8.0
140.42604	6.8
162.15073	5.1
177.01967	10.6
180.09244	4.5
300.99924	10.0
305.06876	7.7
341.11017	10.9
439.08511	18.5
441.08020	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	781.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	3.5
61.98838	14.8
62.24083	1.7
69.09123	16.2
71.01375	4.8
72.90508	2.1
91.45798	2.0
95.01407	3.4
96.96036	6.0
101.02457	2.8
107.01397	18.2
108.02254	2.4
111.00893	3.2
113.02414	2.4
121.02994	5.3
122.03751	6.8
123.00900	18.5
123.04552	2.5
124.01687	3.7
125.02459	64.3
136.01637	2.1
137.02477	3.7
139.00403	7.7
140.01175	6.3
149.02441	16.9
150.03246	39.3
151.00406	9.4
151.04012	3.4
153.01941	2.9
164.04857	5.8
165.05566	42.7
166.05991	4.4
168.00705	6.7
169.01437	85.4
170.01801	4.6
175.04039	3.3
177.01900	2.8
179.03540	3.3
180.04265	2.7
181.05161	2.2
193.04990	2.3
195.06671	29.5
208.51122	2.1
211.02435	4.4
249.04385	1.9
270.09103	4.3
271.04526	3.6
271.09818	2.5
285.11340	2.3
298.08508	4.3
299.09326	4.0
300.99850	2.4
313.05923	4.8
313.11041	5.7
314.08011	3.1
325.10818	3.0
328.09723	5.3
329.10379	10.6
330.11020	2.3
341.10464	7.5
343.11853	19.7
344.12549	15.4
345.13602	3.2
356.12762	5.7
358.14053	4.8
359.14996	35.1
360.15387	2.6
371.14960	20.3
372.15717	2.6
593.14581	3.3
629.24390	15.1
703.28137	2.3
733.28375	5.7
781.25616	100.0
782.25946	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	781.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.4
59.01386	2.7
64.46001	0.8
67.01883	2.0
69.03466	1.5
69.14382	2.4
69.14791	6.2
71.01383	4.4
73.02950	1.3
79.01907	1.7
81.03448	1.2
83.01405	2.3
85.02962	2.7
87.00882	1.8
89.47186	0.9
95.01411	3.1
97.02958	2.8
99.00813	1.0
101.02457	4.1
107.01396	16.9
110.00121	1.1
111.00896	4.3
113.02486	1.6
123.00895	19.4
124.01698	2.3
125.02458	75.2
126.02805	3.0
127.00410	1.8
136.98839	2.6
139.00397	8.8
139.41673	0.9
140.01196	7.2
141.01976	2.7
151.00377	15.4
151.04068	1.1
153.02019	1.7
163.04022	1.1
166.99879	2.0
168.00650	8.0
169.01440	97.7
170.01781	3.8
170.39775	0.9
175.04070	1.1
181.01591	1.5
211.02542	3.8
271.04614	4.2
281.54944	1.1
295.04678	1.5
313.05768	4.3
355.07092	1.3
373.07883	4.4
403.09766	1.0
444.98431	1.1
525.09113	1.5
576.67834	1.3
611.23810	3.2
629.24615	18.8
630.24854	2.2
781.25677	100.0
782.26111	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	7.9
61.51471	0.7
61.98823	11.0
67.01897	2.0
69.03456	2.2
71.01380	4.5
73.02969	1.2
76.55224	0.7
79.01911	2.3
83.01381	1.4
85.02941	1.9
85.56445	0.8
87.00858	1.8
88.98801	0.9
89.02451	1.4
95.01366	3.9
96.96043	2.0
97.02966	2.0
98.21663	0.9
99.00916	0.7
101.02451	3.7
103.01493	2.2
107.01400	16.4
109.02975	2.2
110.00147	0.9
111.00896	4.7
112.98622	1.2
113.02459	2.3
114.93421	2.1
115.00387	1.0
116.92867	4.3
121.02989	0.9
123.00895	17.1
123.04493	0.9
124.01647	3.4
125.02455	68.5
126.02797	2.5
127.00385	1.3
136.98819	2.2
137.02444	2.0
138.03239	1.5
139.00391	7.7
139.03951	1.0
140.01155	8.3
141.01903	2.2
149.02435	1.1
151.00377	11.4
151.03958	2.0
153.01907	1.3
153.05585	1.0
158.76509	0.8
163.04007	0.9
164.04810	1.0
165.01930	0.7
166.99870	1.9
168.00653	10.3
169.01440	76.9
170.01802	3.0
179.03545	1.1
181.01492	1.3
181.05069	1.7
193.01482	0.9
195.06802	0.8
207.02892	0.8
211.02568	4.1
217.42369	0.8
228.90039	0.9
243.12334	1.1
253.03546	1.6
271.04462	3.7
295.04550	1.4
313.05682	5.2
373.07617	1.4
373.25909	1.7
416.20758	0.9
448.68985	0.8
452.53030	0.8
629.24652	15.8
630.24799	2.7
738.39789	0.9
781.25543	100.0
782.25903	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	781.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.7
59.01375	4.5
68.98645	9.1
71.01389	2.8
81.03468	2.3
82.78549	1.0
83.01397	4.3
89.02457	2.1
93.03465	2.3
93.27537	1.0
95.01434	1.3
95.05035	2.4
96.96029	3.6
97.02950	6.2
108.02179	4.5
109.02965	21.7
121.02967	5.9
122.03761	3.5
123.00909	1.4
123.04528	14.8
125.02433	12.6
135.04549	4.7
137.02460	18.0
137.03410	1.9
138.03200	1.1
139.04037	5.7
145.02969	1.5
146.03758	1.9
147.04605	1.3
149.02461	6.1
149.06073	1.7
151.04027	5.7
159.04558	3.7
161.02440	5.2
161.06123	7.9
162.03246	3.7
163.04019	1.2
164.01193	3.9
165.01945	8.0
166.99916	1.3
167.07132	3.1
173.06070	1.8
175.04018	3.6
175.07635	2.8
176.04807	1.3
177.01859	1.5
177.05513	1.1
179.03566	5.5
180.04166	1.0
182.02281	1.9
185.06020	1.2
186.08244	1.1
187.04042	5.8
188.04832	4.9
191.03546	1.3
191.07182	1.7
195.06604	1.8
197.04570	3.9
200.04790	1.3
201.05644	4.2
202.06306	2.1
203.03549	1.8
203.07147	13.3
204.04256	1.4
205.05095	8.1
213.05446	1.2
214.06267	1.3
215.07126	1.7
216.07993	1.2
217.08797	1.6
221.08240	1.8
227.07188	2.9
229.04974	1.2
229.08578	1.1
230.05768	1.5
231.03082	1.8
244.03839	1.6
245.08151	15.5
246.08658	1.3
247.06226	4.2
257.04752	3.2
259.06140	4.9
271.06192	1.3
271.09711	1.1
272.07016	1.1
273.07800	2.0
289.07199	100.0
290.07590	9.9
301.00043	3.4
301.03638	1.9
301.07040	1.9
302.03705	2.4
329.13846	2.1
381.13358	1.7
477.06018	1.2
479.07565	1.3
491.19376	6.2
501.18750	1.2
575.21783	1.1
629.22540	4.9
630.23395	1.7
657.22229	9.5
658.21838	2.1
737.28442	2.6
781.27209	43.3
782.27850	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	781.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.8
59.01393	5.4
66.90202	0.9
69.06855	3.4
69.07281	4.2
71.01393	3.5
72.99303	1.0
81.03474	2.3
83.01398	5.8
89.02460	2.1
92.41916	0.9
93.03494	3.2
95.01460	1.1
95.05038	2.6
96.96003	1.9
97.02956	6.2
100.96783	0.9
101.02439	1.4
103.91036	0.9
108.02201	4.4
109.02965	18.6
117.03479	1.5
119.05052	1.2
121.02963	7.0
122.03755	3.2
123.00913	1.7
123.04534	16.9
123.05390	1.2
125.02469	12.3
132.67801	1.0
134.03773	1.2
135.04538	5.4
137.02460	20.8
139.04039	5.9
145.02971	1.7
146.03745	3.2
149.02423	7.3
149.06099	2.2
150.03346	1.2
151.04024	6.0
159.04529	5.5
161.02438	5.0
161.06067	6.8
162.03256	3.7
163.04039	3.8
164.01181	3.3
165.01953	7.6
166.02466	1.7
167.03519	1.2
167.07185	3.5
169.01624	0.9
173.06128	1.6
175.03973	4.8
175.07657	2.1
176.04739	1.3
177.01961	1.2
177.05608	1.5
179.03539	5.2
182.02266	2.8
185.06090	1.1
186.06923	1.2
187.04004	5.8
187.70461	1.1
188.04822	4.0
189.05443	1.1
191.07210	1.9
195.10277	2.3
197.04506	3.2
199.07741	1.4
201.05629	2.9
202.06398	2.3
203.03497	1.7
203.07141	12.7
204.04384	1.6
205.05086	10.6
213.05699	1.2
215.07169	2.2
217.08630	1.3
221.08260	2.0
227.07187	2.3
229.05077	1.3
230.05931	1.2
231.03015	1.6
244.03828	2.0
245.08211	16.3
247.06059	4.8
257.04654	4.0
259.06116	4.0
280.40042	1.0
289.07193	100.0
290.07520	9.7
300.99808	2.5
301.03467	2.3
301.07092	2.0
302.03885	1.2
329.13708	3.0
329.77618	1.0
425.18417	1.0
476.16913	1.1
479.06815	1.3
491.19238	7.3
629.22388	5.0
657.22052	9.2
658.22797	2.1
737.28339	2.3
781.27118	41.8
782.27484	13.1
805.63971	1.4
812.92383	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.1
59.01386	6.8
69.03476	0.9
69.68322	3.7
71.01385	2.4
78.84927	0.8
81.03458	1.8
83.01400	4.3
89.02443	1.1
93.03463	3.3
95.01392	1.4
95.05029	1.9
97.02953	6.2
98.21791	1.3
101.02448	2.0
108.02200	5.8
109.02967	18.8
111.00917	1.9
113.02464	1.5
114.45573	0.9
121.02941	6.0
122.03755	2.1
123.01003	0.9
123.04540	16.2
125.02459	11.2
134.03784	1.7
135.04539	6.0
136.01762	1.0
137.02466	20.5
139.04021	4.8
145.02971	1.3
146.03772	1.4
147.04521	1.0
149.02466	7.5
149.06107	1.3
150.03210	0.9
151.04048	5.4
154.02779	1.0
157.06604	0.9
159.04515	5.8
160.05295	2.3
161.02509	4.4
161.06094	7.5
162.03227	4.5
163.04030	2.0
164.01187	2.8
164.04616	0.9
165.01987	7.2
165.05573	1.1
167.03505	1.1
173.06078	2.4
175.04016	5.0
175.07646	2.3
176.04710	1.7
177.05568	1.7
179.03494	5.6
185.06102	1.4
187.04002	5.7
188.04814	5.7
195.10353	1.6
199.94487	0.8
200.04834	1.6
201.05594	2.5
202.06412	2.9
203.03554	1.7
203.07127	15.2
205.05106	10.1
213.05814	1.1
215.07149	3.2
221.08260	2.4
227.07216	1.5
229.05058	1.8
230.05922	1.3
231.03046	1.9
244.03775	1.8
245.08206	16.5
246.08516	1.7
247.06123	4.2
247.10005	1.3
257.04614	4.1
259.06155	3.3
271.06195	1.9
272.06876	1.5
273.07697	1.7
289.07199	100.0
290.07541	8.7
314.11911	1.1
329.13837	3.0
339.86093	0.9
381.13318	1.4
491.19269	10.6
492.20004	1.8
521.55859	1.0
629.22272	6.5
630.22650	1.9
657.22266	5.0
658.21582	1.8
737.28961	1.4
781.27136	52.6
782.27454	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	781.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.3
61.98835	15.7
69.26137	1.5
88.98827	1.8
93.03473	5.3
96.96035	4.0
105.03350	2.1
109.02958	2.3
113.66554	1.6
116.92846	2.6
120.99670	3.8
121.02988	8.5
122.03764	14.3
123.00909	2.4
123.04520	1.7
125.02461	6.3
132.02168	2.1
133.02936	2.6
136.01711	2.3
136.19826	1.5
137.02461	7.3
147.04567	2.5
149.02454	41.6
150.03239	100.0
151.03719	5.4
160.01680	4.7
163.03979	2.6
164.04793	10.5
165.01967	4.9
165.05574	83.6
166.06035	5.0
167.03575	1.8
169.01468	4.2
170.25771	1.7
175.04047	2.0
179.03589	1.7
179.07256	2.7
180.04265	9.5
181.05080	3.7
195.06636	64.4
196.06934	4.3
207.06683	2.1
211.04059	2.4
224.06783	1.9
225.07750	4.8
226.06161	1.8
240.07997	1.7
242.09541	3.5
257.12027	3.2
267.06595	2.9
269.08255	3.7
270.06464	1.7
270.08966	12.5
271.09229	1.8
284.06891	3.4
285.07993	3.1
285.11362	9.7
286.08548	4.0
286.11523	1.9
296.06937	1.8
297.07645	3.5
298.08502	8.5
299.09348	12.0
301.10886	3.0
309.07602	2.1
310.08328	4.0
311.09167	6.8
313.07364	2.9
313.10815	7.9
314.07925	9.5
314.11481	3.5
323.09265	2.5
324.10013	3.1
325.10849	6.5
326.08130	3.6
326.11520	2.8
328.09695	8.2
328.13022	2.5
329.10324	27.2
329.13849	3.2
330.10706	5.0
341.10364	32.3
341.14008	3.7
342.10754	5.6
343.11884	42.4
344.12622	48.1
345.13098	7.6
351.75616	1.7
356.12582	10.6
357.13333	4.9
358.14090	4.7
359.15009	92.3
359.62384	2.1
360.15311	10.9
371.14957	57.3
372.15347	8.7
373.13055	3.9
391.14182	4.1
537.21259	20.6
538.21588	3.8
585.23505	5.3
733.28583	7.0
734.29303	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	781.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
88.52204	71.1
125.21042	78.6
133.51808	80.2
144.51625	77.8
186.27505	74.9
202.35800	95.9
210.58989	100.0
229.39697	87.0
313.51868	77.3
442.73730	79.9
504.73477	95.5
549.06763	80.6
768.02496	96.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95557	3.5
59.01392	4.6
61.98838	47.4
63.83066	3.7
89.86802	3.8
96.96027	36.5
99.16741	3.3
107.01385	7.5
111.00869	5.8
116.92872	9.1
123.00916	12.4
125.02458	57.0
127.00423	4.6
136.98792	4.6
137.02444	7.6
139.00339	8.5
140.01239	7.6
150.03189	5.2
151.00380	9.2
165.01965	3.9
165.05577	5.0
166.06293	4.3
168.00652	9.8
169.01434	64.0
181.05133	18.4
182.05928	5.5
183.03061	6.8
196.07382	17.1
211.09778	12.3
313.05789	11.0
329.03247	5.4
507.15045	10.2
613.10919	20.7
719.13000	6.1
719.25604	100.0
720.25677	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	77.0
71.01365	6.0
88.98798	4.5
96.96005	9.8
107.01398	10.3
111.00892	7.5
116.92844	10.9
123.00909	18.5
125.02453	80.0
137.02487	21.2
138.03226	5.1
139.00406	9.0
140.01213	8.9
146.18152	3.5
149.02425	4.4
150.03281	4.9
151.00354	8.1
161.02388	5.4
166.02734	4.2
168.00638	7.3
169.01442	81.7
170.01801	6.2
180.66258	3.5
181.05055	15.4
183.03026	7.4
184.78676	3.6
196.07455	24.4
211.09741	9.9
243.06592	8.2
297.06253	4.6
300.99820	6.5
313.05695	16.4
507.15097	19.2
719.25653	100.0
720.26239	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.4699
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	2.1
69.18604	5.1
71.01372	3.0
73.09120	0.9
74.72838	0.9
78.39925	0.9
78.95911	3.8
78.98586	1.1
79.95741	5.4
80.91668	1.4
80.96527	11.7
82.96073	0.7
83.05022	0.8
85.02914	1.2
85.41272	0.7
89.02437	0.8
91.55804	0.7
94.98096	1.6
97.02961	1.1
98.21799	1.8
101.02435	2.1
111.04512	1.4
117.31004	0.8
121.99423	0.7
125.24030	0.8
134.97554	1.2
161.04570	0.8
181.08694	2.7
183.13930	3.5
193.12366	1.8
195.06740	1.0
207.06529	1.1
209.08286	1.0
209.11813	2.9
210.12119	1.3
211.13405	100.0
212.13728	6.2
215.67444	0.7
223.06212	0.8
225.00745	1.3
234.78293	0.8
235.08276	1.7
253.09325	5.7
255.23370	1.2
256.23743	0.9
277.21732	51.6
278.22067	5.2
310.29102	0.8
358.77182	0.8
429.21194	1.0
447.22360	8.1
448.22546	1.8
470.74063	0.8
553.26172	0.8
739.40009	0.9
764.39703	2.9
782.41345	11.6
783.41626	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	782.5195
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62671	0.3
57.78570	0.3
58.78363	0.2
62.71758	0.2
63.66359	0.3
66.03474	1.0
67.07324	0.3
70.02987	0.4
71.02503	0.7
80.05042	0.6
82.06626	2.5
84.08203	0.5
85.04098	0.3
87.05713	6.6
88.04034	0.6
94.06622	1.0
95.02489	0.6
96.03311	0.4
96.96028	0.5
97.04095	1.6
98.02477	1.1
99.02019	0.3
100.07673	0.4
110.03594	1.1
111.02020	0.9
111.05644	0.3
112.07711	2.1
113.03572	1.4
114.09245	0.5
116.05059	0.8
116.92891	0.4
118.06651	1.1
121.04087	2.4
125.03539	0.4
127.08788	1.2
129.10355	21.9
130.08745	3.4
130.10728	0.8
131.05035	0.7
138.08008	0.3
139.08794	5.3
140.07193	4.5
140.10828	0.4
146.06125	2.8
147.04491	0.5
148.07692	0.4
151.08803	0.8
153.10333	2.0
155.08276	5.0
155.11879	1.8
156.08675	0.4
157.05301	0.4
157.13518	0.3
164.07300	0.4
164.09570	4.2
165.10332	6.3
166.08731	1.0
166.10748	0.3
167.08310	1.5
167.10661	0.7
171.90112	0.3
180.11406	1.0
181.09938	0.6
182.13011	3.8
182.15599	0.4
183.11427	3.3
184.10884	0.3
185.04871	0.3
185.06619	0.3
195.15053	1.4
197.16623	4.3
198.12790	0.4
198.16968	0.6
199.18141	0.5
200.14064	5.1
207.15036	17.7
208.10948	0.6
208.13443	1.0
208.15424	1.4
209.14075	0.3
209.16614	0.4
214.12421	1.1
216.13983	0.7
220.14615	0.3
222.16116	0.3
223.12001	0.8
224.17697	9.3
225.16064	4.6
225.18007	0.7
226.12076	0.6
231.15063	1.0
241.13515	2.8
242.11859	2.4
242.18744	14.9
243.19102	1.1
250.15527	0.4
252.17303	0.6
252.20622	0.5
258.16388	0.4
259.14526	6.5
260.14944	0.3
268.16702	0.8
268.20325	0.9
269.16766	0.5
276.17181	1.2
294.25516	0.5
295.21375	8.5
296.21783	0.8
307.72546	0.3
310.25037	1.0
312.17188	3.0
313.17737	0.4
313.18561	0.4
313.22406	3.5
314.22913	0.4
329.19891	1.6
330.17938	1.6
337.26138	9.5
338.26389	1.3
347.20923	1.2
355.27203	3.1
371.24417	1.0
389.25720	0.9
425.25577	0.5
443.26926	0.7
450.34598	0.4
463.92764	0.3
468.36185	0.5
522.36658	0.9
539.39240	5.2
540.39313	0.7
556.35229	1.8
573.37726	6.1
574.37994	1.4
598.40198	0.5
615.42615	2.7
616.42560	0.5
669.42700	0.6
764.50189	0.6
782.51874	100.0
783.52197	33.7
804.23047	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.0684
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61103	0.9
59.01373	1.3
65.16000	0.9
66.18256	0.9
71.03814	0.8
78.95910	2.0
89.02461	1.7
96.96973	2.2
98.21772	3.1
109.02980	0.9
117.03481	1.1
123.00916	3.8
125.02496	4.7
129.08678	0.9
131.04997	1.1
137.02461	1.7
140.60414	0.9
145.02977	3.6
147.04564	1.5
157.02975	2.1
158.03830	1.0
159.04565	2.2
161.02486	1.7
163.04044	1.7
166.99791	1.0
169.01424	1.7
173.02440	3.3
175.04059	3.1
177.01935	2.6
185.02435	3.8
187.04054	2.0
189.01927	1.3
191.01953	1.1
191.03549	2.7
201.01904	5.9
203.03526	6.3
213.01976	3.2
214.02756	1.1
219.03114	1.2
229.01445	11.9
231.03049	4.6
237.79414	0.9
245.00903	3.6
247.02490	2.9
249.04022	6.8
257.00928	10.1
258.01663	4.0
259.02197	1.2
270.98895	1.4
273.00452	3.1
274.01199	3.7
275.01996	43.6
276.02347	2.7
283.99570	3.7
298.98444	2.9
299.02023	9.4
299.99109	2.9
300.02408	1.4
300.99908	100.0
302.00223	7.7
305.06744	1.2
317.03125	1.2
329.03366	1.3
341.02954	1.8
341.11020	1.5
365.03571	1.0
419.06195	1.1
437.07101	1.1
450.99612	2.3
463.04578	1.2
481.06122	11.4
482.06256	1.2
652.06775	1.0
721.06372	1.0
783.06830	25.7
784.07397	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	783.069
Annotation	Unknow
Peak:m/z	Relative Intensity
64.89945	0.5
65.00308	0.6
71.27972	0.6
71.28333	0.6
79.01899	1.2
84.31317	0.5
93.03474	0.8
95.01392	4.5
97.02952	0.7
107.01382	1.6
111.00870	0.8
113.02449	0.7
117.03475	0.8
117.75016	0.6
119.05035	0.8
123.00893	10.6
124.01263	0.6
125.02490	3.7
127.67507	0.6
137.02455	1.9
139.00368	1.7
145.02928	1.5
147.04562	0.7
149.02402	0.7
151.00337	3.5
157.02895	1.0
159.00761	0.6
159.04552	0.7
161.02435	1.3
163.04004	1.0
166.99869	9.5
169.01407	3.7
171.00864	1.1
173.02464	2.6
175.04080	1.5
177.01945	1.0
185.02435	2.3
187.00400	1.4
189.01878	1.3
190.02696	0.9
191.03442	1.2
200.01230	0.6
201.01961	3.6
203.03485	2.5
205.05273	0.6
213.01990	0.8
214.99887	1.5
216.00516	0.8
217.01353	1.2
227.00011	1.1
228.00584	1.3
229.01396	6.6
230.01990	1.4
231.02954	2.3
242.99339	9.3
244.00072	1.5
245.00868	1.8
247.02431	1.2
249.04082	2.7
250.04651	0.6
257.00897	5.7
258.01544	1.9
259.02332	0.6
270.98846	35.1
271.99289	3.8
273.00357	1.1
275.01987	18.1
276.02267	1.3
282.98999	0.9
283.99582	2.9
285.00333	3.3
289.07306	0.8
298.98343	50.0
299.99017	18.6
300.99902	100.0
302.00266	9.4
313.05606	1.3
323.02081	0.8
351.01505	1.2
407.00470	1.7
450.99445	37.5
451.99915	7.0
463.05096	0.7
469.00601	1.1
481.06268	15.3
482.06467	1.9
765.06616	0.7
783.06976	11.7
784.06702	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	783.0692
Annotation	Unknow
Peak:m/z	Relative Intensity
69.40570	7.2
95.01394	2.6
98.21947	2.5
119.05084	1.5
123.00920	4.6
123.40204	1.3
125.02454	4.5
125.20512	1.4
133.02989	1.8
137.02512	1.5
143.05029	1.9
145.02989	4.4
147.04543	2.6
157.02977	3.1
158.03769	1.6
159.04514	3.8
163.04034	3.1
169.01466	1.9
171.04573	2.5
173.02499	4.4
175.03973	4.4
177.01906	2.7
185.02466	5.6
187.04016	2.6
189.01926	3.1
190.02776	2.1
191.03445	2.8
193.01598	2.9
199.03963	2.7
201.01974	8.7
203.03517	7.9
213.02003	2.7
214.02730	2.2
215.03490	4.5
217.01442	2.8
218.02107	2.6
219.03041	2.8
227.03600	4.9
228.00673	2.1
229.01431	17.2
230.02126	2.8
231.02919	7.9
238.02754	1.6
241.05138	1.6
242.02237	2.7
243.02992	5.9
245.00906	5.3
247.02484	3.3
249.04041	10.4
253.01439	4.4
255.02991	1.8
257.00931	15.8
257.04614	1.9
258.01666	9.8
259.02448	5.6
267.02957	2.1
271.02545	7.1
273.00455	4.7
274.01160	17.5
275.01978	100.0
276.02319	7.4
281.00958	1.8
282.01730	2.4
283.99637	2.1
285.00211	1.5
285.03931	2.7
286.01193	2.1
287.01996	6.4
288.02756	9.2
289.03387	2.1
295.02258	3.0
298.98669	2.8
299.01971	71.8
299.99197	3.4
300.02432	8.6
300.99933	73.6
301.03488	5.2
302.00287	6.9
303.01483	3.2
309.04123	1.6
311.01929	2.0
312.02710	2.8
312.99988	1.9
313.03601	4.6
314.00784	5.1
315.01376	4.3
317.03000	15.7
323.02002	3.2
325.03461	2.2
329.02975	11.0
341.03067	17.2
342.03214	1.7
347.04108	2.3
365.03073	4.0
383.04196	3.5
401.04977	3.4
419.06314	10.2
420.06549	2.0
429.34171	1.6
437.07437	9.2
438.07751	1.8
463.05423	2.2
481.06210	28.3
482.06927	3.5
507.04193	5.1
721.06714	4.3
765.07190	1.7
783.07013	25.9
784.06866	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	783.069
Annotation	Unknow
Peak:m/z	Relative Intensity
69.71309	2.2
72.31883	0.6
77.57677	0.5
86.82755	0.5
87.68541	0.6
95.01381	1.0
117.03409	0.9
123.00869	1.2
125.02481	1.3
129.03468	1.2
133.02985	0.7
145.02936	3.3
147.04482	1.7
157.02954	2.1
159.04559	1.2
161.02444	1.1
163.03989	1.5
163.54131	0.6
173.02451	3.3
175.04083	2.5
185.02452	3.9
187.04062	0.7
189.01895	1.4
190.02876	0.6
191.03468	1.9
198.17476	0.6
201.01938	5.5
202.02449	0.7
203.03514	4.6
213.01965	2.0
214.02811	0.7
217.01408	1.5
219.03006	1.6
229.01451	13.7
230.01907	0.7
231.02951	3.2
239.61157	0.6
244.00137	0.7
245.00967	3.0
246.01457	0.7
247.02504	1.5
249.03894	2.6
257.00946	11.1
258.01608	4.0
273.00259	1.3
274.01154	1.2
275.01993	30.8
276.02341	2.1
283.99777	3.6
299.99054	3.6
300.99911	100.0
302.00247	9.6
387.82727	0.5
421.04373	0.7
481.06277	5.7
482.06793	1.4
484.12979	0.6
615.09363	0.7
783.06848	23.3
784.07184	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	783.0692
Annotation	Unknow
Peak:m/z	Relative Intensity
68.66627	0.5
68.84726	0.5
69.50573	1.2
69.50961	2.2
69.72884	0.5
70.76358	0.5
72.05835	0.6
87.41658	0.5
89.03949	0.7
90.99445	0.5
95.01362	1.7
98.21826	1.2
117.03461	1.0
119.05039	1.1
123.00861	2.0
125.02499	2.6
129.03436	0.7
129.38545	0.5
131.04965	0.5
133.02946	1.2
145.02936	3.1
147.04498	2.3
157.02962	1.8
158.03615	0.5
159.04527	2.4
161.02435	1.0
163.04024	0.9
169.55380	0.6
173.02446	3.2
175.04045	3.7
177.02072	0.8
185.02484	5.1
187.04025	0.7
189.01904	1.1
190.02713	0.7
191.03566	3.4
201.01912	7.1
202.02623	0.7
203.03528	8.6
204.03798	0.7
213.01915	2.3
214.02704	0.6
217.01404	2.0
219.03020	1.8
226.99780	1.0
229.01428	15.3
230.01953	1.2
231.03021	5.5
232.03285	0.7
245.00963	3.0
246.01526	0.6
247.02472	2.0
248.03035	0.8
249.04102	6.1
257.00919	10.3
258.01691	5.5
273.00397	1.4
274.01260	1.2
275.01996	43.7
276.02338	2.7
283.99591	3.6
298.98297	0.8
299.99136	4.1
300.99915	100.0
302.00256	9.1
312.92010	0.5
319.00995	0.9
337.72940	0.6
455.98694	0.6
463.05609	1.2
481.06317	6.5
482.06696	0.9
541.08008	0.6
783.06927	25.0
784.07166	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	783.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72018	3.5
69.21246	8.5
69.21648	18.4
70.03084	3.8
80.96529	9.8
98.22616	3.8
111.04527	62.7
112.28719	3.6
113.09743	7.3
166.02612	5.4
181.08701	34.8
192.19890	3.3
208.07443	12.2
209.08163	10.6
287.13062	3.8
299.09360	8.0
349.10846	28.5
355.11932	5.1
357.17435	3.9
357.98666	3.6
377.10278	27.5
378.10645	5.4
407.18558	5.9
435.18140	48.9
436.18747	7.1
445.16397	5.3
546.31818	5.0
547.23987	6.1
547.32385	27.6
548.32281	4.1
725.29712	6.3
783.37030	100.0
784.37897	36.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	1.5
61.98835	81.6
63.96244	2.7
68.58433	0.9
69.06850	3.5
69.07275	4.2
70.27582	1.0
71.01385	10.5
73.02967	1.6
78.98589	8.5
79.95741	14.8
80.96523	96.2
82.96095	1.2
85.02964	3.3
87.00874	2.5
94.98090	21.4
97.02964	1.9
99.00890	1.3
101.02477	3.2
106.69080	1.0
106.98116	3.2
122.97602	3.8
124.91296	0.9
125.02471	5.6
127.04031	1.5
134.97627	7.4
136.99156	2.3
138.37672	1.0
148.99130	8.6
152.98650	8.5
164.98627	16.1
201.11406	2.1
206.99744	3.2
209.11938	1.4
225.00748	31.5
226.00977	1.3
255.23363	2.4
277.21854	1.0
465.24991	1.0
483.15100	2.0
527.18042	1.8
537.27271	2.3
642.30035	1.2
737.19946	1.1
739.39600	4.6
740.40228	1.5
765.40698	1.8
783.42035	100.0
784.42316	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	783.4543
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	7.5
61.98819	10.8
71.01373	9.4
79.95746	9.0
80.96516	53.1
83.05022	4.2
83.35519	2.5
89.26402	2.9
89.60284	2.5
90.22633	2.8
94.07306	2.5
94.98106	8.2
96.96030	2.9
99.59419	2.9
101.02435	5.0
113.02422	3.2
125.02457	4.5
125.09824	2.5
148.99165	3.3
152.51434	2.7
152.98636	6.3
164.98647	8.0
165.12753	3.3
209.08075	2.9
209.11858	62.8
210.12195	4.7
225.00713	16.0
227.12846	9.1
230.34015	3.5
235.08240	4.2
253.09239	8.4
277.21732	100.0
278.22137	13.3
280.72086	2.6
405.18307	2.7
474.94421	2.8
783.29114	3.0
783.41907	66.9
783.55566	6.0
784.42273	24.3
784.55322	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	783.5422
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64854	0.5
57.03477	0.6
58.00587	1.0
61.98840	3.0
71.28372	0.9
73.02957	10.5
85.02989	0.9
96.96037	1.0
99.00954	0.7
101.02444	0.8
102.76878	0.6
104.01657	0.6
105.44623	0.6
110.67508	0.6
123.22672	0.5
125.09753	0.7
126.90421	1.2
160.98100	0.7
171.10249	1.1
181.08800	0.7
185.11812	0.8
197.11739	0.5
255.95126	0.7
282.05194	0.7
291.19681	2.1
297.07748	0.8
309.17380	0.9
309.20670	7.0
331.59552	0.6
399.32785	1.4
429.33722	1.8
473.32761	100.0
474.33112	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	783.6149
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	1.8
62.70853	0.8
67.02935	0.7
67.53245	0.8
69.45321	2.7
69.45717	1.7
69.92646	0.8
80.96541	0.9
98.21819	1.0
108.08830	0.9
116.92889	1.7
121.35538	0.8
129.30333	0.8
331.24957	1.0
374.76035	0.8
407.33258	1.7
453.33752	100.0
454.27789	1.1
454.34100	20.6
783.41736	1.3
783.57709	2.3
809.70044	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.6151
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	52.4
64.23248	5.9
69.05728	25.7
69.06161	26.0
98.74330	6.0
116.92858	9.4
128.37828	7.3
168.20370	6.0
173.21394	5.8
208.15781	5.7
343.27829	6.2
349.66049	7.5
392.28912	6.5
453.33731	100.0
454.34396	13.0
620.05688	6.8
783.58478	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	784.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15564	3.2
59.01374	5.6
61.80270	3.6
69.06769	32.4
76.70454	3.9
77.61513	3.5
79.25967	4.2
82.48824	3.6
89.02446	4.8
95.01443	4.0
96.96056	4.4
97.02972	4.2
98.21861	5.5
99.92677	4.9
101.02465	3.6
103.82678	3.4
104.40136	3.7
107.01376	9.8
109.02959	7.6
111.00919	4.1
121.02986	3.9
123.00864	12.1
125.02461	57.7
137.02434	7.3
140.01199	5.0
149.02475	5.4
151.00381	7.4
151.04050	6.2
158.65553	3.4
168.00668	10.0
169.01427	69.1
203.55431	3.7
211.02480	10.9
266.87717	4.1
271.04523	7.8
289.07132	8.4
295.78928	3.7
301.00003	4.6
483.07883	6.8
485.16760	4.5
558.12262	4.0
569.22272	11.4
582.68805	3.7
721.23486	100.0
722.24017	25.0
785.13861	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	784.3613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68494	0.1
57.99677	0.1
59.01376	0.3
61.98835	100.0
62.98544	0.2
69.45708	0.4
69.46106	0.2
71.01399	0.3
82.95470	0.2
85.02994	0.2
88.98866	0.4
93.03481	0.2
96.96002	0.7
99.92632	0.1
100.43788	0.2
101.02501	0.2
106.74963	0.1
108.11127	0.2
112.98515	0.2
116.92892	0.5
119.03541	0.1
125.02453	0.3
137.02534	0.1
137.65234	0.1
139.04002	0.1
161.04578	0.2
169.01373	0.2
171.38077	0.1
174.70866	0.1
209.08276	0.2
209.11887	0.2
343.04764	0.4
744.90918	0.1
785.38000	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79959	0.1
56.09106	0.1
61.98832	100.0
63.96228	0.2
71.01390	0.4
73.02952	0.2
78.98605	0.4
79.95731	1.0
80.96520	4.3
82.17447	0.1
85.02997	0.2
94.98096	0.9
97.05790	0.1
98.21781	0.5
134.97560	0.3
144.18538	0.2
148.99127	0.4
152.98680	0.3
164.98611	0.6
181.08772	0.2
186.85561	0.1
225.00745	0.9
327.64783	0.2
740.39600	0.2
743.56158	0.2
783.41998	0.2
784.42310	6.0
785.41992	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4136
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
71.01391	0.4
78.98603	0.3
79.95749	0.6
80.96523	3.3
82.96126	0.1
83.50706	0.1
87.00861	0.2
94.98087	0.9
96.96037	0.2
98.22533	0.6
106.98095	0.2
125.02460	0.2
134.97667	0.3
148.99211	0.3
152.98688	0.2
164.98674	0.6
181.08720	0.2
209.11885	0.3
225.00789	1.0
226.01239	0.2
226.11769	0.2
277.21878	0.2
357.43097	0.2
616.61859	0.1
695.36407	0.2
784.42462	3.2
784.56970	0.2
785.41162	1.0
785.56036	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.0849
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01355	1.3
63.88658	0.5
65.26658	0.6
69.47835	0.5
70.01080	1.6
71.01373	1.6
78.95882	2.7
85.02956	1.1
89.02431	0.8
92.79105	0.6
95.01354	1.7
96.96951	1.5
97.02905	0.9
101.02412	0.6
107.01362	2.3
113.02441	1.6
117.03474	0.7
119.04999	0.8
122.80582	0.6
123.00884	4.3
125.02457	16.2
126.02802	0.7
131.04985	0.6
137.02422	1.1
145.02937	2.4
145.07294	0.6
147.04504	2.1
151.00311	0.7
157.02892	0.8
159.04518	2.4
161.02420	1.6
163.04010	1.5
165.01932	0.8
168.00659	0.7
169.01439	11.6
173.02489	3.0
175.03998	3.0
177.01935	1.6
185.02507	3.2
187.03967	1.1
189.01872	1.4
190.02676	1.0
191.03430	1.7
201.01932	5.0
202.02345	0.6
203.03525	8.3
205.01434	0.8
213.01920	1.3
214.02542	0.8
217.01401	1.2
219.03035	1.0
221.04590	0.7
226.99809	0.8
229.01419	7.8
230.01880	1.7
231.02971	10.1
232.03470	0.6
245.00859	2.7
247.02449	2.3
248.03139	1.3
249.04033	21.3
249.06569	1.4
250.04350	1.9
257.00940	8.2
258.01663	3.3
273.00452	1.8
274.01044	1.2
275.01984	38.5
276.02344	3.6
283.99600	2.4
289.07227	1.6
293.03284	0.6
299.99158	3.3
300.99902	100.0
302.00290	10.5
313.05771	1.6
322.86725	0.6
323.13678	1.5
419.06116	3.1
420.06543	0.8
461.17416	0.6
463.05457	1.3
483.07840	5.4
508.72079	0.7
615.06256	2.3
633.07391	2.3
634.07690	0.9
785.08411	26.8
786.08588	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	785.0846
Annotation	Unknow
Peak:m/z	Relative Intensity
64.28281	0.9
82.70795	0.9
85.02991	1.0
95.01389	3.3
97.02931	1.0
107.01430	2.0
113.02441	1.3
117.03473	0.9
119.04958	1.2
123.00898	6.4
123.15555	0.9
125.02452	23.5
133.02991	1.1
137.02527	1.2
137.50175	1.0
145.02969	1.7
147.04527	3.1
157.02936	1.9
159.04518	2.2
163.04024	1.3
165.01865	0.9
169.01424	15.2
173.02484	3.6
175.03984	4.5
177.01961	2.3
179.03450	1.1
185.02490	3.4
187.03992	1.3
187.66440	0.8
189.01845	1.3
190.02719	1.5
191.03543	3.6
201.01894	6.1
202.02618	1.1
203.03496	9.0
204.03931	1.4
213.01869	2.2
214.02800	1.2
217.01411	2.2
219.03041	2.7
229.01430	15.1
230.01880	2.1
231.02928	11.1
232.03351	1.4
234.48872	1.0
240.00581	1.2
245.00954	4.2
247.02542	3.3
248.03175	2.0
249.04056	17.9
250.04312	1.8
257.00970	9.5
258.01694	3.5
273.00479	3.2
274.01215	2.8
275.01987	42.9
276.02353	2.9
283.99664	2.9
299.99207	3.8
300.99908	100.0
302.00293	10.0
305.07025	1.3
419.06036	1.9
483.07846	3.9
525.85754	1.1
589.07660	1.1
784.93927	2.2
785.08453	40.9
786.09088	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	785.0847
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75652	0.5
57.03434	1.6
69.22274	1.4
69.22683	2.4
71.01368	1.0
82.05245	0.6
83.01363	0.9
85.02938	1.5
95.01399	1.8
96.96005	4.9
97.02934	1.0
98.95573	1.2
107.01391	2.5
109.02961	0.9
113.02467	1.6
117.03496	0.8
119.05051	1.0
121.02995	0.8
123.00903	4.2
123.04495	1.1
124.01682	1.2
125.02458	25.3
126.02792	1.9
128.93179	0.6
131.04976	0.8
133.02963	1.2
137.02437	1.9
139.00346	0.8
139.03911	0.8
145.02963	1.7
147.04533	1.6
149.02414	1.1
151.04005	1.9
157.02977	1.4
159.04541	2.3
161.02448	2.9
161.42448	0.5
163.03961	1.7
165.01927	1.3
167.03508	1.8
169.01448	13.1
169.02850	1.3
169.30347	0.6
170.01820	0.8
173.02460	2.8
175.03973	3.2
176.04378	0.6
177.01929	4.8
182.62675	0.6
185.02495	3.2
186.02855	0.7
187.03996	1.1
189.01883	1.4
190.02690	1.1
191.03467	2.4
193.01483	1.1
199.03912	0.6
201.01981	5.3
202.02539	0.9
203.03528	8.1
213.01968	1.4
214.02510	1.0
217.01526	0.7
219.03027	1.8
227.12915	0.8
229.01411	9.7
230.02068	1.0
231.03001	8.5
232.03424	1.0
243.02974	1.6
245.00926	2.3
247.02531	0.9
249.04057	19.2
250.04343	1.0
257.00925	6.6
258.01648	2.9
273.00406	1.5
274.01117	1.0
275.01984	32.2
276.02292	3.3
283.99658	2.6
287.05423	0.7
289.07086	1.3
293.03140	0.8
299.98965	2.8
300.99921	100.0
302.00235	9.8
305.06732	1.0
307.08636	2.6
309.08154	1.5
313.05783	3.2
323.93787	0.6
331.06769	1.2
388.14368	0.6
419.06503	3.4
433.44113	0.7
463.05286	1.0
483.07721	7.1
484.08444	0.6
534.64514	0.6
615.06677	2.0
633.07367	2.0
634.08490	0.6
785.08337	21.7
785.22229	1.3
786.08398	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	785.0846
Annotation	Unknow
Peak:m/z	Relative Intensity
64.28281	0.9
82.70795	0.9
85.02991	1.0
95.01389	3.3
97.02931	1.0
107.01430	2.0
113.02441	1.3
117.03473	0.9
119.04958	1.2
123.00898	6.4
123.15555	0.9
125.02452	23.5
133.02991	1.1
137.02527	1.2
137.50175	1.0
145.02969	1.7
147.04527	3.1
157.02936	1.9
159.04518	2.2
163.04024	1.3
165.01865	0.9
169.01424	15.2
173.02484	3.6
175.03984	4.5
177.01961	2.3
179.03450	1.1
185.02490	3.4
187.03992	1.3
187.66440	0.8
189.01845	1.3
190.02719	1.5
191.03543	3.6
201.01894	6.1
202.02618	1.1
203.03496	9.0
204.03931	1.4
213.01869	2.2
214.02800	1.2
217.01411	2.2
219.03041	2.7
229.01430	15.1
230.01880	2.1
231.02928	11.1
232.03351	1.4
234.48872	1.0
240.00581	1.2
245.00954	4.2
247.02542	3.3
248.03175	2.0
249.04056	17.9
250.04312	1.8
257.00970	9.5
258.01694	3.5
273.00479	3.2
274.01215	2.8
275.01987	42.9
276.02353	2.9
283.99664	2.9
299.99207	3.8
300.99908	100.0
302.00293	10.0
305.07025	1.3
419.06036	1.9
483.07846	3.9
525.85754	1.1
589.07660	1.1
784.93927	2.2
785.08453	40.9
786.09088	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	785.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	27.4
71.29405	0.8
74.79305	0.6
79.95759	1.3
83.04222	0.5
85.59242	0.5
94.70059	0.5
95.01408	1.5
95.95368	0.7
96.96015	81.5
97.06592	0.7
100.48589	0.5
107.01414	0.8
109.02963	0.9
117.03435	0.8
121.02963	0.7
123.00890	2.1
123.04528	0.8
124.01628	0.6
125.02451	8.4
125.04313	0.5
131.04979	0.6
133.02931	0.7
135.08096	0.5
145.02985	1.1
147.08136	1.2
149.02342	0.6
159.04428	1.2
161.02377	0.6
165.01964	0.7
169.01430	6.6
170.01715	0.5
173.02414	1.6
175.04016	1.8
177.01910	1.1
185.02481	2.0
191.03516	1.3
201.01938	2.7
203.03558	3.9
213.01930	1.3
217.01347	0.9
219.03006	0.6
225.11320	24.6
226.11639	1.5
229.01500	4.8
230.01974	1.1
231.02951	3.4
245.00873	1.8
247.02484	1.9
248.03249	0.7
249.04015	7.5
250.04404	0.9
257.00998	3.9
258.01474	1.4
273.00485	1.5
274.00885	0.8
275.01993	17.1
276.02341	1.6
283.99722	0.9
299.99237	2.3
300.99896	42.0
302.00281	5.2
305.07007	100.0
306.07346	7.8
313.05850	0.9
483.07684	1.5
633.07550	1.6
781.99994	0.6
785.08484	12.7
786.08685	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
61.74014	0.5
61.98824	1.1
70.54996	0.6
77.97899	0.5
95.01408	0.8
107.02219	0.5
108.90198	2.5
116.92882	1.6
120.47162	0.5
121.02970	100.0
122.03308	4.0
127.43686	0.5
137.02405	0.8
138.62872	0.6
151.76915	0.5
162.89886	0.5
165.01920	3.0
181.06641	1.8
191.03563	2.2
209.04564	60.9
210.04884	4.6
225.05617	2.6
311.26660	0.7
313.07288	5.0
357.06204	1.7
401.08780	9.7
402.09070	1.1
457.33188	2.6
549.10242	0.7
579.33783	0.6
635.06787	0.7
760.63550	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00138	0.1
61.98833	100.0
62.98533	0.2
63.99264	0.3
69.42352	1.0
80.96500	0.9
82.96071	0.2
100.34273	0.1
108.02217	0.2
116.92873	0.5
155.21291	0.1
181.64061	0.2
225.00757	0.2
360.91470	0.2
363.76007	0.2
433.19824	0.2
569.93286	0.2
621.60217	0.2
630.14026	0.2
687.40594	0.2
774.66705	0.2
786.41876	0.6
787.39368	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80414	0.1
61.98834	100.0
62.98535	0.2
69.73996	0.1
75.42981	0.1
80.96539	0.2
86.09853	0.1
94.57564	0.1
114.07804	0.1
118.96971	0.1
131.17534	0.1
131.47478	0.1
155.59334	0.1
164.83054	0.1
169.35039	0.1
211.47400	0.1
307.96295	0.1
435.68430	0.1
687.30426	0.1
740.66632	0.1
787.39978	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
62.98537	0.2
69.34409	0.1
71.28114	0.2
75.94562	0.1
92.38457	0.1
323.59894	0.2
411.19763	0.1
755.02234	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01752	2.0
61.98824	3.1
77.09685	1.8
83.06247	1.8
98.22633	3.6
115.02534	5.1
117.00468	6.8
117.02213	2.1
119.00210	1.8
124.22391	1.6
134.96060	1.6
136.94019	3.4
157.03644	1.8
159.01505	79.9
160.01653	15.5
161.01151	15.0
174.99352	2.5
176.98062	12.9
178.95055	9.4
178.97795	5.4
201.02579	43.9
202.02736	7.6
203.02405	5.0
217.00276	4.1
228.14526	1.6
259.01672	3.7
301.02664	84.1
302.02887	28.5
303.02466	44.4
304.02667	3.8
317.99966	1.7
319.99689	1.9
320.96213	5.8
343.03674	4.8
446.60535	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	787.1006
Annotation	1,2,3,4-Tetragalloyl-alpha-D-glucose
Peak:m/z	Relative Intensity
59.01374	1.3
67.01914	1.4
68.97750	7.6
69.03453	2.5
71.01400	2.9
81.03449	1.4
83.01389	1.1
85.02940	1.7
94.66483	0.9
95.01399	6.3
96.96036	3.8
97.02925	1.2
101.02447	1.2
107.01408	8.3
109.02957	1.5
111.00890	2.2
113.02467	1.4
121.02991	1.5
123.00897	15.5
124.01682	1.8
125.02458	78.6
126.02831	2.6
135.04541	1.0
136.98816	2.4
137.02469	3.4
139.00403	5.4
140.01178	4.8
149.02493	2.1
151.00356	4.3
153.01929	1.4
161.02444	2.7
162.03047	0.9
163.04036	1.8
164.01222	1.0
165.01918	2.0
166.99829	4.8
167.03534	2.2
168.00688	8.2
169.01443	100.0
170.01778	4.6
175.04060	0.9
177.01953	2.7
177.05605	0.8
179.03517	5.7
181.01447	1.4
188.54295	0.9
191.03563	2.8
193.01418	4.7
193.05080	1.0
203.03531	1.3
205.01442	1.7
205.05087	1.3
207.03014	3.2
211.02493	6.6
221.00981	1.3
221.04561	1.4
233.04605	1.5
235.02467	2.9
241.03491	1.3
273.77057	1.0
277.03510	2.3
279.05200	2.4
295.04630	6.0
297.06247	1.2
313.02161	1.2
313.05670	16.0
381.12177	1.0
403.06680	4.0
403.32425	0.9
421.08081	1.5
447.05597	5.5
448.06119	1.2
449.07382	2.2
465.06796	19.4
466.07169	2.7
473.09686	1.1
497.13141	1.1
499.60037	1.0
573.08936	3.2
617.07874	54.5
618.08136	8.8
635.08887	6.5
742.94324	1.0
787.10052	17.5
788.10046	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	787.1944
Annotation	Quercetin 3-gentiobioside-7-glucoside
Peak:m/z	Relative Intensity
58.31544	0.5
65.00312	1.2
71.28831	0.6
107.01368	1.0
109.02918	0.9
125.02473	1.3
151.00374	4.9
153.91373	0.5
161.02452	0.7
169.01428	1.3
171.04474	0.7
175.03944	0.8
178.99884	2.3
187.04028	0.7
199.04030	3.4
201.02031	1.0
215.03496	1.5
226.02737	1.1
227.03493	2.5
243.02931	4.6
255.03049	1.9
271.02490	51.0
272.02856	4.7
299.01987	100.0
300.02548	19.1
300.99927	2.0
301.03519	9.7
302.00262	0.6
302.04044	0.9
321.08624	0.6
341.05103	0.7
376.88629	0.6
462.08115	20.5
463.08673	4.9
625.14142	24.8
626.14642	3.8
787.19543	37.5
788.19904	9.6
802.07983	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.2
59.01394	9.2
67.01878	0.9
69.29077	4.5
69.29487	1.8
71.01381	9.0
72.99301	3.5
73.02940	1.7
75.00880	11.9
83.01386	1.7
85.02954	13.0
87.00890	4.6
89.02435	2.7
93.03499	1.1
95.01397	3.4
96.96025	3.0
99.00883	6.9
103.00382	1.6
108.02207	1.1
111.00905	1.3
113.02457	13.9
115.00404	1.1
117.01965	2.3
121.02965	54.0
122.03304	1.3
125.02484	6.2
129.01964	1.4
143.76631	0.9
152.01140	1.9
169.01392	6.1
175.02484	2.0
221.22540	0.9
231.05171	3.5
233.83163	1.0
249.06166	36.5
249.08771	1.8
250.06584	2.4
300.99881	2.3
302.00211	1.7
303.00357	1.0
307.08484	2.3
316.06961	1.1
371.09836	100.0
372.05518	1.2
372.10187	10.4
374.13547	1.1
402.51859	0.9
415.12387	4.2
427.28680	1.0
458.94800	0.9
617.08099	1.4
629.64923	1.1
635.08563	1.0
767.78876	1.0
787.09930	1.3
788.08789	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.3
57.03453	0.5
57.72551	0.3
58.00576	0.6
59.01382	40.3
60.01699	0.6
60.32500	0.3
62.51130	0.3
69.56360	1.3
71.01386	8.2
72.01660	0.4
72.99301	0.9
81.03469	1.5
83.01385	0.8
85.02950	2.3
87.04514	1.0
89.02448	10.0
95.01371	1.0
96.96039	0.4
98.21798	0.6
99.00884	0.5
100.50300	0.3
101.02448	5.4
107.01366	0.3
109.02972	0.4
109.06600	0.5
109.45005	0.3
113.02460	3.3
119.03500	3.2
120.37256	0.3
121.03014	0.3
123.00881	1.1
123.04532	15.7
124.04884	0.7
125.02458	3.5
125.09678	1.1
126.02754	0.5
128.09032	0.3
137.02437	0.6
145.02884	0.4
147.04512	0.7
149.04539	0.3
149.09715	0.8
154.40707	0.4
161.02449	0.4
163.03979	0.4
163.11270	3.5
164.11601	0.3
167.92186	0.3
169.01422	2.2
170.01755	0.5
174.49077	0.3
175.04033	0.4
185.02396	0.5
190.02614	0.4
191.03497	0.5
193.08699	7.2
194.09087	0.6
201.01863	0.6
203.03474	1.4
204.03860	0.6
207.10283	6.6
208.10597	0.7
219.03008	0.4
225.11266	0.4
229.01405	1.2
230.01752	0.9
231.02884	1.1
232.03325	0.4
245.00740	0.6
249.04086	1.9
250.04320	0.9
251.04561	0.3
257.00861	1.0
258.01385	0.5
258.29047	0.3
262.92984	0.3
267.07217	0.8
274.01074	0.3
275.02036	3.0
276.02310	2.1
277.02484	1.4
283.99606	0.4
289.07166	0.6
294.26926	0.3
300.99911	7.5
302.00232	5.8
303.00360	3.5
355.13943	1.0
385.11444	0.6
387.16611	100.0
388.16962	11.9
465.07761	0.3
787.09021	8.7
788.09076	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.407
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.9
59.01363	1.8
59.67833	1.2
71.01385	2.1
75.00869	3.9
79.01915	1.9
80.96545	1.5
85.02949	1.9
85.06564	2.7
87.04517	3.3
92.08239	1.1
95.05042	2.7
97.02941	3.2
98.21711	2.4
99.00878	1.5
109.02936	1.8
109.06615	2.0
111.04527	30.7
113.02483	3.7
113.09723	6.8
123.04543	2.4
123.08195	7.4
125.06113	1.1
127.07726	1.3
137.02490	1.4
137.06213	1.3
139.04013	11.6
147.08305	1.7
151.04076	2.6
151.07671	4.4
165.01895	1.2
165.05560	2.0
165.09216	21.9
166.02695	3.0
167.07150	3.4
179.07184	1.2
181.08713	46.8
182.09012	1.6
187.91881	1.1
191.07152	1.8
191.10780	3.2
193.08638	2.4
195.06633	12.7
203.07225	2.5
207.06596	7.3
208.07449	5.8
208.31752	1.2
209.08200	82.3
210.08545	5.4
217.08780	1.2
219.06630	3.5
219.13916	3.1
221.08186	17.2
222.08519	1.5
223.09865	1.9
229.12305	5.6
233.08206	4.2
234.08835	1.6
235.09744	16.0
236.10155	1.2
247.09795	7.5
249.11366	2.3
259.09814	2.1
262.11850	1.3
263.12888	15.8
264.13229	1.4
273.11343	17.3
274.11533	1.9
277.14471	1.6
277.21744	8.6
311.12994	2.1
311.16556	2.9
327.16006	3.7
329.17374	1.6
341.17587	6.8
342.18082	2.4
343.19119	3.0
379.19214	2.7
383.18329	1.2
395.22321	2.8
397.20190	5.0
439.21191	3.1
489.26617	1.6
507.27771	1.5
533.25293	9.7
534.25647	2.2
537.25354	1.5
551.26508	100.0
552.26788	25.1
561.31122	1.3
587.31140	1.4
605.31232	38.3
606.31555	10.3
787.50378	7.9
788.49396	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	787.5005
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71008	4.7
59.01370	11.1
60.09646	5.5
61.98821	5.8
71.01410	12.2
71.27020	7.6
75.00880	13.2
80.96528	11.1
85.02953	17.3
90.92928	5.5
94.48782	5.0
94.98097	5.7
98.81519	4.8
99.00894	11.9
113.02427	27.8
155.12895	5.2
159.72873	5.5
174.33975	5.6
193.03537	7.3
196.52283	5.7
213.33382	5.7
277.21741	68.2
527.28137	10.2
555.51550	5.4
787.50037	100.0
788.50549	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	788.4446
Annotation	Unknow
Peak:m/z	Relative Intensity
57.56180	0.3
57.94855	0.2
60.68435	0.3
61.98833	100.0
70.67267	0.3
71.28218	0.4
79.91504	0.3
80.96531	0.9
81.75649	0.2
90.53071	0.3
99.72381	0.3
132.61453	0.3
189.96729	0.3
209.08347	0.5
279.11856	0.3
300.03543	0.3
404.57336	0.3
666.17224	0.3
789.41205	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.496
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.8
61.98843	2.9
68.34791	2.8
75.55630	3.0
78.37587	2.9
93.22532	3.2
123.37435	3.0
196.35905	3.2
249.18616	60.6
250.18909	5.9
253.09296	10.4
277.21750	100.0
278.22073	13.6
671.82703	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74004	0.4
59.01380	4.6
67.01889	1.3
69.03452	0.4
69.19470	0.4
69.25512	2.5
70.11287	0.5
71.01380	3.4
72.99306	0.8
79.01889	0.8
80.18459	0.4
83.01405	0.5
85.02955	6.6
87.00874	2.1
89.02425	2.5
93.03458	3.2
95.01394	1.5
101.02451	1.6
102.98595	0.9
107.01391	2.1
109.02936	0.9
111.00916	1.9
111.04508	1.2
113.02466	1.0
119.05026	1.7
120.99661	0.8
123.00888	10.4
125.02451	12.2
127.00449	0.7
127.04019	1.6
128.02405	0.4
136.98782	0.8
137.02483	0.5
138.01595	0.5
139.00365	3.0
140.01173	2.8
141.01942	1.0
145.02863	0.5
151.00391	7.5
153.01941	0.6
163.04008	2.0
167.03584	0.5
168.00636	2.8
168.73494	0.4
169.01428	15.8
170.01781	1.0
173.04520	1.6
191.05615	88.7
192.05937	4.1
211.02536	2.2
222.20853	0.4
271.04495	2.7
283.04907	0.7
301.00372	0.4
313.05679	1.2
337.09302	19.9
338.09653	1.5
343.11530	0.5
387.16620	1.1
451.12466	100.0
452.12799	11.0
505.17386	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.9
58.29148	1.2
59.01381	14.4
61.18122	1.4
61.98833	26.0
71.01395	9.9
71.28365	2.1
73.02951	8.3
74.99124	1.5
82.95419	4.5
83.01373	3.9
84.95123	2.4
85.00437	4.9
85.02961	3.3
87.00869	1.8
88.98808	3.9
89.02428	2.6
93.03463	3.1
96.96010	11.9
97.02962	2.1
99.92591	7.2
101.02457	4.3
108.02186	4.7
109.02955	4.0
109.06557	1.5
112.98569	1.5
113.02473	1.9
114.93428	2.1
116.92020	2.0
116.92865	40.4
117.03443	1.8
117.92867	4.2
121.02966	16.7
122.03773	3.5
123.04549	14.5
125.02479	8.5
134.03737	7.3
135.04539	10.8
136.01639	1.6
136.99153	5.8
137.02438	2.6
137.06047	2.1
138.88055	1.5
139.03969	2.1
145.02940	9.4
146.03722	2.6
147.04510	3.7
148.05130	1.2
149.06036	3.8
151.00348	2.7
151.04042	3.0
159.04512	4.3
160.05290	2.6
161.02432	2.3
161.06085	2.2
162.06822	1.4
163.03961	1.9
163.07675	2.3
164.04808	2.0
165.01924	3.9
169.01398	2.3
171.10246	1.7
173.06062	1.5
175.07637	1.9
177.01871	1.6
177.05551	3.6
179.07155	1.9
181.05084	1.8
188.04735	1.6
189.05614	2.4
190.02879	1.3
195.08197	2.5
197.06178	2.0
197.11885	1.7
201.11284	1.6
205.58937	1.6
209.11757	2.9
211.07652	5.0
211.13278	1.5
212.08435	10.1
214.81306	1.5
221.08197	2.3
223.04044	1.3
223.07710	7.1
225.05530	8.5
225.11377	2.3
237.05614	1.8
239.07188	15.2
240.07890	14.8
241.08571	1.9
243.06676	1.3
245.90555	1.2
249.05458	1.8
250.06313	3.2
251.07120	19.7
252.07933	15.7
253.05069	7.3
253.08781	6.0
254.05797	3.8
255.06595	2.7
255.10098	1.7
256.07339	4.5
259.06137	3.7
265.08710	3.4
266.05795	10.5
266.09317	1.5
267.06625	41.6
268.07407	100.0
269.04825	3.2
269.07932	16.5
270.08691	1.5
271.06415	3.2
271.09668	10.5
281.08154	3.8
281.11386	1.5
282.08981	6.4
283.09750	56.1
284.10339	11.1
285.04031	4.3
285.11328	3.1
296.10526	1.9
297.11316	25.8
298.11774	7.0
299.12869	4.8
300.02716	4.1
300.06131	1.4
301.03619	2.6
301.10809	70.5
302.11237	9.2
311.09216	4.4
311.12918	1.9
314.04251	5.9
315.04980	3.7
323.09335	4.2
324.09662	3.7
325.10733	6.7
339.12411	6.4
341.10095	2.9
343.11853	54.5
344.12106	7.9
351.10880	2.0
357.26474	2.1
371.24307	1.9
373.25958	3.6
383.11319	4.1
384.12186	1.8
385.12939	79.8
386.13220	9.0
404.12601	5.0
417.61478	1.5
419.15009	15.0
420.15491	2.9
427.13971	21.9
428.14584	2.8
449.41147	1.4
487.16162	57.1
488.16412	9.9
609.21570	3.9
627.22552	7.8
669.23358	13.2
670.23383	3.6
760.08807	1.5
771.26660	25.4
772.27264	10.8
789.40967	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	789.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	3.7
61.30619	0.4
61.98831	4.3
66.95911	0.6
69.11089	1.1
69.11491	1.6
71.01383	3.9
73.02950	5.0
74.99091	0.7
82.95424	15.6
83.01389	1.6
85.00475	0.4
85.02980	0.4
88.98798	0.6
89.02449	0.6
93.03493	0.6
96.96033	1.6
99.00887	0.6
99.92592	12.2
100.92625	1.0
101.02448	4.3
107.01422	0.5
108.02195	1.1
109.02969	1.1
113.02470	0.5
114.93448	0.4
116.92870	100.0
117.01956	0.4
117.92875	6.3
121.02967	6.4
123.00942	0.6
123.04540	2.7
125.02433	1.5
134.03752	1.0
135.04543	2.8
136.99179	0.9
137.06084	0.7
145.02954	1.1
147.04541	0.6
149.02333	0.4
149.06015	0.7
151.00381	0.7
151.03989	0.6
159.04582	0.5
161.04536	0.6
161.06073	0.7
162.06837	0.4
163.07701	1.0
169.01407	0.4
175.07611	1.0
189.05583	1.0
207.10260	0.7
209.11871	1.1
210.12318	0.4
212.08434	0.5
221.08232	1.1
225.11407	0.8
226.81792	0.4
240.07861	1.1
251.07167	1.2
252.07835	0.9
253.08614	0.6
256.07324	0.8
266.05777	0.6
267.06650	2.1
267.10275	0.6
268.07425	8.0
269.08072	3.6
271.02502	1.2
271.06271	0.3
271.09763	1.2
281.11920	0.6
283.06503	0.7
283.09753	9.0
284.10446	2.9
285.11200	0.6
297.11298	0.7
299.12842	3.7
300.02719	1.5
301.03595	0.9
311.09186	2.5
325.10626	2.1
328.09644	0.5
343.11868	63.9
344.12201	7.4
344.16000	0.7
385.12946	27.9
386.13452	3.6
415.14130	3.4
445.15027	7.3
487.15900	0.4
505.16626	0.5
597.98895	0.4
674.91949	0.5
689.34027	0.5
789.27570	0.8
789.41180	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	29.7
71.01385	8.2
71.28333	5.2
71.28697	3.7
71.82700	4.4
78.95892	3.7
83.05076	3.9
96.96025	7.3
104.61092	3.4
108.42039	3.4
113.02499	4.8
114.93425	5.4
116.92912	7.0
118.96942	3.8
119.87832	3.7
125.09709	4.1
127.40423	3.8
163.11256	4.5
170.81190	3.3
207.10254	5.5
209.11850	100.0
210.12253	11.1
225.11462	4.3
227.12848	15.0
235.08250	6.1
253.09286	10.5
263.19888	4.0
289.18240	18.7
301.23895	4.7
307.19101	23.4
309.20447	4.3
422.61987	4.0
487.34006	4.6
631.03619	3.9
789.38831	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	789.4287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	4.5
59.01378	24.2
61.98830	52.8
66.81666	2.0
68.99543	2.7
69.03446	2.3
69.19431	12.5
69.19829	4.2
71.01387	64.1
71.08313	2.2
72.56286	2.3
72.99300	2.8
73.02939	6.6
77.66581	2.2
81.03454	3.7
82.95423	3.5
83.01402	5.8
83.05044	7.9
85.02958	9.5
87.00879	4.9
88.98853	2.1
89.02458	9.1
93.03468	2.1
95.01361	2.4
95.05040	5.0
96.96007	20.6
96.97002	2.2
97.02959	3.9
97.06597	3.3
99.00930	2.2
99.92596	7.5
101.02451	13.2
109.02943	3.6
109.06618	7.6
111.00912	3.1
112.98598	5.4
113.02461	8.8
116.92875	36.9
117.92864	2.3
119.03481	4.1
119.04964	2.3
123.00922	2.3
123.04525	3.8
125.02452	13.3
125.09725	5.9
127.11320	3.7
135.08240	2.3
137.02429	5.2
139.11310	7.5
145.05168	2.5
151.00391	5.0
151.04033	2.8
153.02048	2.9
155.10771	3.6
161.04562	5.1
163.11304	9.5
165.12912	5.1
169.01430	7.9
171.10275	71.3
172.10580	5.7
179.10864	2.1
181.12309	4.7
183.10332	4.0
183.13969	4.5
185.11884	5.7
197.11859	6.4
201.11340	23.7
201.49339	2.0
207.10324	21.1
208.10712	2.8
209.11830	72.3
209.13771	4.7
210.12222	3.2
211.13419	22.9
225.11342	49.8
226.11662	2.3
227.12923	8.3
229.14394	16.2
235.08252	12.6
242.93829	2.4
243.12372	4.8
253.09326	32.6
271.02655	2.7
271.05765	2.2
287.05582	2.6
291.19623	6.3
291.38968	2.4
301.03613	5.0
309.20688	14.0
327.21771	100.0
328.22180	12.0
373.25992	2.9
461.20224	7.9
483.91983	2.5
484.17807	2.5
563.30615	2.4
771.41479	4.6
789.29907	3.3
789.33820	2.8
789.43488	15.9
790.42175	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	789.5179
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45828	7.3
59.01376	15.4
60.10115	7.2
66.60876	7.2
67.19626	7.3
70.96709	9.7
71.01394	14.7
74.55901	8.2
75.00868	25.2
78.99512	8.1
80.96535	25.4
85.02962	25.6
95.01423	9.4
99.00910	9.6
101.44981	7.4
111.04526	9.6
113.02442	27.5
114.09689	7.2
144.37247	8.8
175.02475	11.8
179.04683	9.2
215.60959	8.6
256.04266	9.5
265.30496	9.6
277.21793	54.5
279.23297	67.2
280.23746	9.9
552.26953	15.2
774.05664	9.8
789.51117	100.0
790.51282	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.9
64.36632	0.5
67.01907	1.1
69.02679	3.8
69.03449	0.7
71.01373	1.9
83.01379	1.2
85.02962	1.4
87.00880	0.5
89.67451	0.4
93.03439	2.4
95.01388	1.7
97.02949	0.6
101.02465	1.1
107.01385	4.4
109.02964	0.7
111.00882	1.7
113.02455	1.2
119.05050	0.9
121.02974	0.7
123.00906	11.7
124.01685	12.8
125.02467	26.9
125.45643	0.5
126.02773	1.3
127.00389	0.8
136.98836	1.5
137.02469	0.7
138.03229	1.2
139.00388	3.9
139.04042	4.9
140.01183	3.3
141.01918	0.8
149.02444	0.5
151.00383	5.2
167.03514	0.5
168.00648	5.0
169.01437	31.6
170.01825	1.2
173.04599	0.6
175.86058	0.5
183.03021	3.3
191.05621	7.0
211.02617	0.9
223.02473	0.6
225.04012	0.8
231.66336	0.5
241.03502	0.7
253.03543	0.6
256.48007	0.5
275.02017	0.8
285.06320	0.8
297.06247	1.2
300.99933	1.6
313.05667	6.9
314.05972	0.7
327.07187	1.1
337.09308	1.2
371.09894	0.6
453.10419	100.0
454.10724	12.0
498.85809	0.5
616.84930	0.5
807.35138	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
69.11001	0.9
69.11416	3.1
80.71826	0.5
81.03466	1.1
85.02951	0.8
91.68940	0.5
93.03484	0.8
95.01408	0.5
96.47318	0.4
107.05041	0.4
108.02180	92.3
109.03011	15.4
110.03295	0.5
121.02955	3.9
122.01518	0.4
123.00870	0.8
123.04506	1.5
125.02440	1.6
125.64967	0.5
133.02939	1.0
135.04536	1.0
137.02341	0.6
149.02473	0.4
151.04004	1.8
152.01161	56.0
153.01958	16.2
159.41937	0.5
163.04013	1.9
164.04773	0.6
165.01923	1.2
166.87642	0.6
169.01370	0.6
182.44220	0.4
185.06108	0.5
189.90488	0.4
190.02745	0.5
195.02901	0.5
200.39586	0.4
205.05017	1.1
209.08157	2.0
301.03482	0.7
316.76654	0.5
356.03073	0.4
361.88651	0.5
379.20398	0.5
419.09851	100.0
420.10187	14.8
536.61780	0.4
709.58374	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4358
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98843	25.1
69.17998	76.6
93.54832	12.7
97.54505	10.7
98.22589	19.9
123.98092	11.8
134.29968	10.5
195.06522	11.7
209.08238	17.5
209.11848	100.0
227.12950	14.9
237.15080	11.4
277.21799	81.8
281.13898	22.8
315.69427	10.8
325.43018	13.1
502.85550	12.8
595.98138	13.4
649.22510	13.7
791.42444	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	793.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.5
59.09780	0.2
61.11734	0.2
61.89213	0.2
61.98839	1.0
67.70742	0.2
71.01411	0.2
73.02943	0.6
75.00877	1.4
99.00880	0.5
99.92593	11.9
100.92606	0.9
114.93416	0.6
116.92873	100.0
116.97195	1.2
117.01964	1.8
117.69928	0.2
117.92885	6.3
145.88248	0.2
148.50854	0.2
212.99586	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	11.1
61.98812	5.1
63.16793	1.6
69.81364	2.0
71.01391	13.9
71.28260	2.2
74.40772	2.1
78.65726	1.9
82.95442	2.1
85.02969	2.3
88.48569	1.7
89.02448	2.7
95.05000	2.7
97.02956	2.8
99.00914	1.9
101.02450	4.3
102.59193	1.8
111.04555	3.3
113.02451	2.1
116.92872	2.7
125.06146	2.1
160.84224	6.6
163.11244	3.2
171.10275	14.3
181.08748	3.8
195.59882	1.9
197.11761	2.8
199.09734	14.2
201.11304	14.5
203.09781	2.0
207.10284	13.7
225.11366	16.8
235.08211	8.3
243.12482	2.7
253.09254	10.6
277.21747	100.0
278.22058	10.8
418.54395	2.1
461.20419	3.8
721.41962	4.6
722.42950	2.3
757.43744	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	793.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	2.9
58.65142	2.5
59.01373	7.9
60.00100	2.8
61.98829	7.6
67.71297	3.0
71.01374	12.4
71.28522	4.2
73.02942	2.6
79.48814	2.7
80.96526	3.1
82.80962	2.5
87.00866	4.1
88.98982	2.5
89.02464	3.7
97.03000	2.8
101.02453	3.6
109.06625	4.2
111.04527	4.8
112.62256	2.8
113.02509	2.4
121.46105	2.8
160.84282	4.9
163.11308	4.5
171.10313	34.8
181.08759	3.9
181.12415	2.7
183.06512	3.2
185.11737	3.4
199.09750	11.9
201.11345	7.8
207.10258	10.5
215.12787	3.5
223.09731	5.5
225.11327	29.9
226.11722	2.8
235.08241	7.9
253.09264	11.6
277.21722	100.0
278.22067	12.4
296.74176	3.0
325.37494	2.8
339.97986	3.4
355.26910	3.1
458.61261	3.5
461.20285	4.1
565.11145	3.1
627.81213	3.3
672.47479	3.1
695.40521	5.2
721.41522	6.6
739.42578	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	793.4517
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	87.2
67.98893	19.9
68.68792	17.5
70.99776	17.0
71.28446	28.0
72.84984	18.9
77.35651	17.5
79.89260	18.0
80.96516	47.2
82.35267	18.9
84.36242	20.9
87.04493	20.9
94.95742	17.5
97.65297	18.6
111.04525	61.5
113.09734	26.3
123.08202	34.9
125.05999	24.6
155.66112	16.4
165.09254	34.7
181.08649	86.6
181.12378	16.9
183.06612	26.5
191.93079	18.2
192.19064	19.1
195.06601	53.9
207.06638	35.3
209.08124	100.0
209.11845	82.5
219.06589	22.2
221.08147	26.8
225.07790	52.3
248.06918	20.8
275.05658	26.8
279.23221	87.4
287.12436	22.7
317.10095	44.3
318.10959	32.7
319.11856	37.4
344.52890	20.3
418.68396	18.9
475.30646	96.2
476.31174	30.2
518.35962	22.6
557.19556	24.5
793.36407	20.6
793.51392	56.9
794.50403	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	793.4517
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	87.2
67.98893	19.9
68.68792	17.5
70.99776	17.0
71.28446	28.0
72.84984	18.9
77.35651	17.5
79.89260	18.0
80.96516	47.2
82.35267	18.9
84.36242	20.9
87.04493	20.9
94.95742	17.5
97.65297	18.6
111.04525	61.5
113.09734	26.3
123.08202	34.9
125.05999	24.6
155.66112	16.4
165.09254	34.7
181.08649	86.6
181.12378	16.9
183.06612	26.5
191.93079	18.2
192.19064	19.1
195.06601	53.9
207.06638	35.3
209.08124	100.0
209.11845	82.5
219.06589	22.2
221.08147	26.8
225.07790	52.3
248.06918	20.8
275.05658	26.8
279.23221	87.4
287.12436	22.7
317.10095	44.3
318.10959	32.7
319.11856	37.4
344.52890	20.3
418.68396	18.9
475.30646	96.2
476.31174	30.2
518.35962	22.6
557.19556	24.5
793.36407	20.6
793.51392	56.9
794.50403	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	795.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.6
69.10669	4.5
69.11087	7.9
71.21490	1.4
73.40482	1.4
80.29842	1.4
81.88760	1.4
83.01408	2.7
89.16535	1.5
90.36517	1.5
94.97726	1.5
96.96043	3.8
97.02975	1.6
98.22562	3.1
109.02959	6.4
109.03660	1.5
121.02969	1.9
123.04523	7.1
125.02457	5.8
135.04536	2.2
137.02455	7.4
139.04118	1.5
149.02434	5.1
151.04001	2.3
159.04533	2.3
161.02489	2.4
161.06206	1.9
165.01921	2.5
175.03934	2.0
177.01793	2.2
203.07166	4.5
205.05246	1.6
207.10236	2.2
217.05095	6.7
218.05794	18.1
219.06635	1.6
233.08211	53.0
234.08612	4.2
243.06563	2.2
245.08186	5.1
261.07693	89.9
262.07990	7.2
273.07648	1.6
289.07169	26.4
291.08948	3.8
343.11896	2.2
347.11789	3.7
381.11923	100.0
382.12204	15.2
438.58157	1.6
565.27374	2.0
633.19629	2.8
748.25256	1.6
795.25000	9.8
796.25299	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	795.3448
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.8
58.67572	1.6
59.01384	35.1
61.98829	19.4
67.01846	1.1
71.01378	5.6
71.28204	1.9
73.02946	8.8
83.01385	11.5
85.02961	2.2
87.04540	2.2
88.98825	3.3
95.05066	1.5
96.96043	1.6
101.02442	3.8
102.17934	1.4
103.01524	1.4
108.02184	1.8
109.02959	3.7
111.00867	1.4
113.02415	1.9
118.46980	1.4
121.02958	4.6
123.04504	7.9
125.02464	4.7
125.09700	2.5
128.90207	2.2
135.04544	17.7
137.02455	11.9
137.09770	1.7
138.03127	1.5
139.11310	16.3
148.05263	2.4
149.02452	36.8
150.03171	4.1
151.04042	1.8
152.04785	2.9
164.04805	100.0
165.05449	9.7
165.09256	2.0
165.23343	2.0
167.72293	1.5
169.12341	5.9
179.03563	1.8
179.07141	58.1
179.10674	2.4
180.07558	1.9
181.05069	1.7
181.12383	5.1
183.10257	19.8
184.03699	1.9
191.34810	1.2
193.05008	1.6
195.06647	2.1
197.11827	2.3
199.13425	1.6
204.93440	1.3
209.11836	1.3
211.06020	1.9
212.06926	13.5
213.07793	1.7
225.11363	14.6
227.09294	18.8
228.09570	1.3
243.12360	9.0
249.11391	3.2
267.12384	1.8
289.07330	1.5
291.12354	2.0
327.14603	2.2
345.11966	1.8
387.16687	9.0
407.17090	16.9
408.17603	2.8
519.65833	1.4
549.50812	1.4
795.34430	53.0
796.35022	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	795.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	0.7
59.01382	15.4
59.23022	0.7
61.98560	1.1
61.98838	12.7
62.87280	0.7
69.03455	1.1
69.56641	1.4
69.57038	3.7
71.01369	2.5
83.01353	1.0
88.98810	3.0
96.96000	1.4
109.02960	2.2
110.13754	0.9
111.00840	0.8
116.92848	1.3
121.02960	3.3
125.02456	2.0
135.04532	11.8
137.02455	13.2
138.03215	2.1
139.11296	3.9
141.25174	0.8
146.32364	0.9
149.02458	32.4
150.03110	3.3
151.04059	1.3
152.01164	1.9
152.04823	3.2
164.04808	100.0
165.05399	7.7
167.39905	0.9
169.01448	2.3
179.07150	91.4
180.04262	0.9
180.07483	5.7
183.10262	16.6
184.03755	1.9
195.06622	5.8
197.04567	2.3
209.08147	0.9
209.11775	0.9
212.06934	16.1
213.07463	1.4
227.01109	0.8
227.09268	29.3
227.11522	1.7
228.09566	2.0
272.82346	0.8
393.19073	2.5
407.17136	33.4
408.17447	5.3
573.26532	1.5
795.40125	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4331
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14725	0.1
58.84401	0.1
59.01379	0.2
62.68987	0.1
63.63862	0.1
73.02947	0.4
75.00875	0.4
90.00077	0.1
98.21815	0.4
99.00918	0.2
99.92592	9.4
100.92598	0.6
114.93419	0.5
116.92870	100.0
117.01935	1.1
117.92880	5.8
125.02461	0.2
130.19690	0.1
135.41039	0.2
150.03181	0.2
169.01469	0.1
186.26755	0.1
193.94368	0.1
267.08780	0.1
455.14963	0.1
511.49722	0.1
616.18964	0.2
788.96698	0.2
790.83679	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	33.4
69.03442	2.5
69.24117	3.3
69.24534	8.7
71.01410	2.6
74.31994	2.1
83.01405	2.9
85.02975	2.2
89.95753	2.1
95.01405	3.9
96.96044	5.8
97.02999	2.4
107.01423	14.3
109.02962	4.6
111.00898	4.6
113.02488	4.2
116.92885	3.6
118.92767	2.4
121.02983	3.9
123.00893	12.2
123.04497	3.9
124.01691	4.4
125.01534	4.5
125.02456	91.6
126.02827	2.8
127.00462	2.4
137.02441	6.1
139.00404	7.0
139.04033	3.2
140.01161	8.0
149.02437	7.0
150.03262	14.1
151.00378	8.6
151.04010	4.8
161.02412	2.3
164.04826	3.2
165.01930	8.1
165.05534	12.9
166.06383	3.1
167.03506	4.9
168.00668	11.5
168.99997	4.8
169.01440	100.0
170.01779	3.1
177.01888	4.0
179.03488	5.1
180.04297	5.7
181.05093	24.0
182.05807	7.8
183.02945	10.2
194.05722	3.9
195.06613	18.9
196.07446	17.8
197.07997	2.5
209.08192	2.8
211.02484	3.0
211.09761	10.6
225.07738	5.7
241.03592	2.3
297.06088	2.6
313.05658	21.7
327.07141	5.2
329.10126	2.5
329.13950	3.7
341.61987	2.2
343.11807	3.3
373.12903	3.5
492.34686	2.3
523.14661	35.7
524.14893	5.5
569.20300	3.2
735.11963	4.7
735.25079	98.3
736.25586	25.3
799.19452	6.9
827.46564	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	798.4655
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01926	1.1
59.01369	3.8
61.98826	3.5
64.62619	0.8
70.48315	0.9
71.01382	5.7
71.28063	1.5
73.02963	1.3
75.00883	1.7
78.95905	4.1
78.98583	1.3
79.95732	3.1
80.96521	15.7
81.03471	1.4
83.05025	4.0
85.02951	2.2
87.00885	2.1
89.02448	2.0
94.98104	3.2
101.02446	3.2
113.02441	1.4
134.54475	1.0
148.99130	1.4
150.22688	1.0
161.04538	1.6
163.11287	3.1
164.98657	2.3
165.12860	2.2
191.10788	1.1
196.23482	1.2
201.11426	2.3
209.11839	96.6
210.12228	8.1
225.00818	4.6
225.02675	0.9
227.12903	13.9
235.08269	4.9
253.09314	10.1
255.23328	2.4
277.21735	100.0
278.22083	9.7
345.35086	1.2
415.78824	1.1
445.20950	1.5
457.55475	1.1
499.60471	1.1
567.94745	1.1
618.38977	1.1
709.38885	6.8
780.39197	1.2
781.40143	4.0
799.42224	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	798.5136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.31935	1.5
59.67135	1.6
61.98835	2.7
63.72137	1.7
69.03598	12.3
69.04010	3.7
71.02538	1.9
82.01703	1.7
82.06644	2.4
87.05644	9.5
96.96039	8.7
116.92876	3.4
118.06655	2.4
121.04093	3.2
125.02542	1.8
129.10361	23.3
130.08754	1.9
139.08772	4.1
139.91092	1.8
140.07220	2.3
145.09697	1.8
146.06126	3.0
155.08299	2.8
155.11926	2.6
164.09601	4.2
165.10326	2.4
182.13135	3.7
183.11450	3.4
197.16557	3.7
200.14090	8.9
207.15012	14.8
214.12465	2.0
224.17674	6.7
225.16055	3.4
236.14297	1.8
241.13556	2.0
242.18748	12.3
258.11383	6.1
268.19952	1.5
275.14026	3.8
295.21408	9.3
313.22632	5.4
337.26187	7.5
355.27240	4.1
426.30902	2.4
539.39429	4.0
543.43878	2.0
798.51392	100.0
799.38159	2.3
799.51794	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	798.5141
Annotation	Unknow
Peak:m/z	Relative Intensity
61.94229	2.5
61.98817	4.9
69.49049	2.5
87.05650	5.7
96.96037	6.8
99.04516	3.6
112.07691	4.2
116.92904	5.8
129.10355	29.8
135.93378	3.1
139.08827	5.1
140.07173	5.0
146.06151	5.2
153.10339	3.2
155.08289	6.1
155.11929	3.7
163.63937	3.3
165.10361	10.3
168.66220	3.0
175.11484	3.1
182.13110	3.5
183.11456	3.7
184.37218	3.1
200.14066	6.2
207.15102	11.0
216.67529	3.3
223.59451	3.5
224.17737	4.6
240.17247	5.7
241.15649	9.3
242.11983	3.4
242.18680	14.5
251.41124	3.0
259.14551	5.3
274.50613	2.9
295.21487	3.7
545.60370	3.3
798.51416	100.0
799.51801	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	799.1369
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19392	0.8
61.23353	0.7
69.07476	7.3
80.34144	0.9
93.46840	0.8
99.48625	0.8
125.02452	2.0
128.00342	0.8
143.88458	0.9
157.02846	1.2
169.01500	0.9
173.02394	1.5
185.02478	1.4
201.01917	3.0
226.99849	1.0
229.01430	2.7
236.93303	0.8
245.00917	1.8
257.00922	1.2
270.86295	0.9
283.99628	3.5
299.99017	2.5
300.99915	100.0
302.00287	9.4
342.08667	0.9
761.44843	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	27.4
59.98244	0.2
73.21659	0.2
79.95309	0.4
79.95726	1.7
96.96017	76.0
97.06601	0.4
97.95954	0.4
100.78086	0.2
125.02461	0.6
135.08139	0.5
137.02460	0.3
147.08205	1.4
163.58932	0.2
165.09248	0.9
169.01465	0.3
177.89883	0.2
181.12364	0.3
207.10298	0.3
225.11337	22.1
225.25240	0.2
226.11671	1.9
301.00024	0.3
305.07019	100.0
306.07355	8.1
307.06552	0.3
331.33627	0.3
377.87503	0.2
509.51273	0.4
584.32745	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.7
61.98820	4.3
64.41834	1.5
71.01384	4.0
79.95729	1.9
96.94730	1.7
96.96017	8.9
101.02422	2.7
107.01398	11.1
109.02957	23.4
111.00893	3.7
115.68199	1.7
115.79935	1.4
123.00862	9.2
123.04554	3.4
125.02463	63.8
126.02782	2.8
135.04507	2.4
136.98871	1.5
137.02473	6.5
138.03300	1.4
139.00403	3.7
140.01190	3.8
143.64874	1.5
149.02454	7.4
150.03264	9.7
151.00400	6.2
151.04039	3.0
153.05479	1.5
159.04485	1.6
161.02499	3.2
165.01996	4.5
165.05577	8.0
166.06447	2.8
167.03505	2.1
168.00673	3.1
169.01443	63.6
170.01772	2.6
175.03967	1.7
177.01898	2.4
179.03448	3.1
180.04224	2.2
181.05048	1.7
194.06018	1.8
195.05063	1.6
195.06595	9.0
196.07314	2.9
197.06136	2.9
199.03993	2.0
201.05711	2.0
211.02483	3.0
213.05605	4.2
225.05513	2.9
229.05128	4.5
240.04401	3.2
241.05132	13.4
243.06563	8.2
253.05070	4.2
265.05161	4.3
267.06589	1.5
291.06677	3.5
307.09937	3.6
313.05673	22.5
313.08771	2.3
314.05887	2.2
315.06445	2.5
318.05374	2.1
331.09830	1.5
333.07886	2.9
357.07788	5.9
359.05969	1.8
359.15247	2.3
361.07050	2.1
363.08893	3.0
375.08765	24.9
376.09131	2.7
439.10986	2.5
485.12424	16.3
486.12790	3.8
647.17285	2.8
736.25800	9.6
799.18823	100.0
800.19299	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	799.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74115	1.0
55.75334	0.9
59.01373	3.4
59.47952	0.8
67.01873	1.8
69.03441	2.0
69.06129	6.4
69.06538	1.4
70.09069	1.1
71.01392	4.9
73.02935	2.1
79.01898	2.1
81.03447	0.9
83.01372	2.0
85.02965	3.5
87.00870	1.5
87.35629	0.9
92.95236	1.0
95.01400	4.5
96.96034	1.5
97.02946	1.8
99.00922	1.0
101.02435	4.5
101.88197	1.1
107.01406	14.6
109.02981	1.7
111.00895	3.5
113.02473	2.6
123.00895	17.0
123.04547	1.3
124.01675	2.7
125.02461	70.5
126.02811	2.8
127.00415	1.3
128.33148	1.0
136.98843	2.0
137.02467	1.6
139.00423	7.6
139.04010	1.1
140.01184	5.3
141.01984	1.5
151.00377	7.8
151.04077	1.7
153.01920	1.2
159.04521	0.9
161.02470	1.2
163.04080	1.0
166.99847	1.1
168.00687	5.7
169.01442	72.9
170.01807	2.9
193.01471	1.1
211.02512	4.3
237.03952	1.4
271.04614	2.6
289.07211	2.9
313.05563	5.3
347.11826	2.0
347.17148	4.1
373.07806	3.3
501.22006	1.0
589.21124	1.1
629.25171	1.1
647.25867	14.2
648.26117	2.9
799.26764	100.0
800.27057	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	799.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.4
59.31208	0.5
67.01881	1.2
68.99815	0.8
69.03073	2.5
69.03478	3.8
71.01389	4.8
71.32298	0.6
72.99320	1.1
73.02953	1.6
74.54948	0.5
79.01883	1.0
79.30813	0.8
81.03456	0.9
83.01402	1.8
85.02958	2.2
85.32445	0.6
87.00874	1.7
89.02492	0.6
95.01391	3.3
97.02941	1.9
98.22541	1.2
99.00886	0.7
101.02440	2.7
107.01395	15.5
107.02074	1.1
109.95324	0.5
111.00892	5.5
113.02474	2.1
123.00897	18.9
124.01711	2.9
125.02457	70.3
126.02789	2.1
127.00355	1.3
136.98825	2.2
137.02480	1.0
139.00377	6.8
140.01173	5.9
141.01958	2.3
149.02505	1.0
151.00381	10.3
151.04041	0.6
153.01935	1.2
163.04001	1.0
166.99940	0.7
168.00636	7.1
169.01437	80.4
170.01790	3.1
181.01443	1.7
181.05028	0.9
193.01588	1.0
207.03201	0.6
211.02480	4.1
237.03986	1.1
253.03613	1.3
271.04529	3.1
295.04608	1.5
313.05710	4.6
355.06638	1.2
373.07776	3.3
389.15680	0.6
475.25067	0.6
525.09070	0.7
629.24841	1.0
647.25543	13.0
648.25793	1.9
799.26709	100.0
800.27100	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	801.0796
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.8
66.06055	0.5
66.34368	0.5
69.25568	3.2
71.01384	0.9
85.02978	0.5
89.02442	0.5
95.01402	2.6
96.96033	0.7
98.21804	0.9
107.01390	1.1
111.00900	0.9
113.02451	0.6
117.03472	0.9
119.05045	0.8
121.02954	1.3
123.00883	5.8
123.04459	0.9
124.01714	0.7
125.02452	6.1
133.02977	0.9
137.02386	0.6
139.00346	0.9
145.02922	2.4
146.03543	0.5
147.04506	1.5
147.73953	0.5
151.04121	0.9
154.67865	0.5
157.02953	1.3
159.04539	1.0
161.02431	2.0
163.04002	1.8
164.01259	0.6
165.01926	0.7
165.05659	0.7
166.99873	1.5
169.01445	4.7
171.00862	0.7
172.01701	1.0
173.02512	2.6
174.03120	0.7
175.04033	2.0
176.01083	0.7
177.01942	1.7
178.02684	0.6
185.02449	2.8
187.04068	0.8
189.01974	2.2
190.02696	1.6
191.03516	1.9
191.05608	1.4
193.01379	0.9
200.01167	2.1
201.01926	5.0
203.03505	3.0
211.02521	0.7
213.01837	1.1
215.03354	0.6
216.00612	1.1
217.01392	1.7
218.02151	1.8
219.03029	0.8
226.99977	1.1
228.00645	1.6
229.01442	9.2
230.02080	2.2
231.02998	6.5
232.03419	0.5
242.99361	0.9
243.16321	0.5
244.00243	0.9
245.00966	4.3
246.01556	0.8
247.02478	2.7
248.03302	0.7
249.04088	4.6
257.00903	6.9
258.01572	1.8
259.02487	0.8
259.99576	0.6
270.98901	1.7
271.99545	1.1
273.00418	3.9
273.04410	0.6
274.01199	8.3
275.01965	14.7
276.02435	0.9
283.99701	2.4
285.00342	5.0
285.71448	0.6
298.98355	3.7
299.99146	18.2
300.99902	100.0
302.00290	8.3
318.00284	0.8
333.03247	0.5
371.09836	1.3
425.01575	7.6
426.01605	0.6
429.14136	1.2
445.04129	2.4
463.05212	1.6
603.06561	1.3
613.04700	15.0
614.05292	5.4
615.05524	0.6
617.08191	0.5
631.05493	5.8
631.95874	0.8
632.06549	28.8
633.07343	38.1
634.07959	5.3
757.08850	5.8
758.08563	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.0796
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.7
70.64030	1.3
71.01391	0.7
72.62904	0.5
73.52583	0.5
79.01894	0.7
83.01435	0.6
95.01377	2.9
107.01401	0.6
109.02985	1.1
109.15853	0.5
111.00881	1.5
112.93061	0.4
117.03470	1.0
121.03026	0.8
123.00887	4.6
124.01752	0.5
125.02450	5.3
129.03452	0.6
131.05096	0.7
133.02963	1.0
134.06541	0.4
137.02434	1.2
139.00366	1.9
140.01154	0.8
145.02936	2.4
147.04504	1.1
149.02489	0.7
157.02942	1.0
159.04532	0.9
161.02449	2.1
163.00337	0.7
163.03969	1.5
165.01859	0.6
166.99883	1.6
168.00711	0.7
169.01408	4.2
171.00937	0.5
172.01683	1.1
173.02444	2.9
175.04044	2.4
176.01147	0.6
177.01910	1.5
185.02414	3.7
187.03912	0.5
189.01883	2.8
190.02658	2.4
191.03505	2.5
193.01447	0.8
199.00427	0.7
200.01086	1.8
201.01877	5.0
203.03476	4.1
213.01932	1.0
214.99892	0.7
216.00572	1.2
217.01401	3.1
218.02168	1.5
219.02834	1.0
226.99741	1.2
228.00609	1.4
229.01425	8.0
230.02090	2.3
231.02998	6.5
242.99261	1.0
244.00180	0.9
245.00854	3.8
246.01459	1.2
247.02449	2.3
248.03322	0.5
249.04047	5.0
257.00922	7.2
258.01553	1.7
259.02493	1.1
261.00568	0.6
270.98810	2.2
273.00369	2.9
274.01196	7.3
275.01968	15.3
276.02451	0.9
283.99548	2.5
285.00427	4.8
291.01276	0.6
298.98331	3.7
299.01221	0.6
299.99109	19.3
300.99893	100.0
302.00229	8.2
348.54999	0.5
371.10028	0.6
425.01569	6.3
426.01703	0.8
429.14014	1.5
445.04007	2.8
449.43826	0.6
461.05267	0.5
463.05225	2.3
601.18555	0.7
603.05927	0.7
613.04669	12.7
614.05450	4.9
617.07898	0.8
631.05817	4.8
632.06555	21.8
633.07306	32.9
634.07697	5.1
757.08923	4.1
758.09760	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.0795
Annotation	Unknow
Peak:m/z	Relative Intensity
69.56907	1.2
79.01896	1.2
95.01415	7.7
99.25635	1.2
107.01399	3.1
110.49533	1.2
111.00883	2.8
113.02489	1.9
121.28876	1.4
123.00886	13.3
124.01693	2.4
125.02449	15.4
129.03484	1.8
133.02948	1.3
139.00421	2.6
140.01105	2.3
145.02951	3.7
147.04518	3.1
157.02905	1.6
158.03661	1.7
159.04556	2.2
161.02438	4.2
163.03990	1.8
164.01170	1.8
165.01999	2.2
166.99889	2.1
168.00597	4.2
169.01413	12.6
171.00900	1.8
173.02449	6.2
175.04024	5.3
177.01982	3.7
185.02420	3.9
187.04010	4.0
189.01883	4.3
190.02672	4.0
191.03487	6.2
200.01193	3.0
201.01973	10.1
202.02631	1.5
203.03508	15.2
204.03847	1.8
205.01241	1.6
211.02559	1.7
213.01956	2.1
214.02621	2.4
215.03558	1.9
217.01433	3.7
218.02255	2.1
219.03096	2.7
228.00833	1.9
229.01439	16.5
230.02104	4.5
231.02956	21.9
233.04521	1.8
242.72296	1.5
244.00322	1.7
245.00955	11.0
246.01367	1.9
247.02484	12.6
248.03192	2.8
249.04037	25.3
257.00958	11.7
258.01608	4.4
259.02408	3.4
270.98785	2.4
273.00415	7.9
274.01230	11.9
275.01993	58.0
276.02344	4.0
283.99536	2.6
285.00415	4.4
291.01413	2.9
299.99127	25.4
300.99899	100.0
302.00272	6.6
323.75900	1.5
425.01492	4.6
445.03973	1.9
513.12244	1.4
603.06104	2.6
613.04626	31.9
614.05359	16.1
615.05963	3.8
617.07733	1.8
631.05682	9.3
632.06531	28.9
633.07343	81.9
634.07605	13.9
757.09045	9.4
758.08667	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	801.0798
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22245	1.5
69.09656	1.7
70.64581	2.0
72.16425	1.6
85.02978	1.6
95.01395	6.8
107.01396	2.8
111.00883	2.2
112.32523	1.4
119.05022	2.1
123.00886	17.4
124.01649	2.0
125.02467	17.2
133.03065	1.5
139.00395	3.6
140.01184	2.8
145.03014	3.7
147.04552	2.7
149.25598	1.4
159.04503	2.3
161.02443	3.7
163.04042	4.8
165.01985	2.3
166.99879	6.3
168.00679	5.3
169.01445	15.5
172.01680	2.7
173.02464	3.1
175.04039	6.5
177.01993	2.4
180.36351	1.4
185.02502	4.5
187.04001	2.6
189.01918	6.5
190.02852	3.2
191.03510	4.8
196.77190	1.5
200.01222	3.0
201.01974	11.6
202.02496	1.6
203.03566	11.8
209.00880	1.7
213.02043	2.4
216.00681	2.2
217.01425	4.9
218.02151	2.6
219.03018	1.7
228.00658	2.8
229.01425	18.6
230.02098	6.2
231.02994	24.0
232.03316	1.7
245.00929	8.5
246.01576	1.6
247.02541	9.6
247.04790	1.6
249.04053	21.5
257.00903	13.2
258.01563	3.6
259.02380	4.9
273.00449	8.7
274.01199	10.9
275.01974	51.2
276.02222	2.8
283.99637	3.6
285.00415	3.8
291.01590	2.0
298.98474	4.9
299.99127	23.2
300.99924	100.0
302.00345	8.1
302.03409	1.6
320.04660	1.7
351.83051	1.7
425.01501	6.6
613.04761	29.5
614.05426	23.1
615.06049	2.7
631.05756	6.5
632.06512	27.5
633.07343	72.4
634.07727	14.0
757.09351	8.3
758.09827	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	801.4223
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53319	1.3
59.01376	1.8
60.65639	1.5
61.98833	6.9
71.34277	1.4
81.03467	2.0
83.01383	1.9
97.02964	3.8
109.02947	11.2
112.58560	1.5
115.68866	1.4
116.04085	1.6
116.92886	4.0
121.02964	7.4
123.04564	9.7
125.02458	8.2
133.02974	4.6
137.02441	13.0
139.04036	3.2
145.02966	1.5
149.02444	20.7
151.04031	6.2
152.02139	1.6
159.04500	1.6
160.05322	2.0
161.02461	21.1
162.03111	1.7
163.00374	9.4
164.01140	4.2
165.01933	45.5
166.02385	2.6
175.04054	1.9
176.01155	10.8
176.83203	1.4
177.01944	41.9
178.02304	2.0
179.03511	3.2
187.04074	3.1
188.04771	1.8
190.02774	4.2
203.07166	6.9
204.00629	1.5
205.01457	5.9
205.05066	4.2
218.02245	6.0
225.94472	1.7
245.08192	9.7
283.06088	4.1
289.07230	48.9
290.07678	4.0
309.04141	4.7
317.06363	2.1
327.05130	100.0
328.05389	11.8
328.85770	1.7
377.38162	1.5
409.56842	1.7
456.59750	1.6
638.84796	1.8
724.37097	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	802.4236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.1
61.98834	100.0
62.98543	0.1
69.09151	0.8
71.01418	0.1
71.56464	0.1
78.91904	0.5
79.95741	0.3
80.96532	0.3
96.96067	0.1
97.81934	0.1
108.96411	0.1
121.73647	0.1
134.96547	0.1
195.06642	0.2
209.11876	0.7
210.12250	0.2
223.10094	0.1
227.13029	0.1
277.21786	0.6
278.91071	0.1
367.60596	0.1
416.08600	0.1
577.47864	0.1
657.84045	0.1
803.40222	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4601
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
62.98558	0.3
65.62775	0.2
67.14154	0.2
69.21481	0.3
69.21892	1.3
79.13696	0.2
80.96532	0.3
103.13105	0.2
111.04564	0.9
144.01398	0.2
167.72186	0.3
181.08771	0.9
181.49171	0.2
189.05728	0.4
189.46645	0.2
190.05824	0.4
195.06728	0.3
209.08119	0.4
217.05119	0.7
218.05524	0.4
277.21829	0.4
289.18207	0.2
329.10123	0.3
374.17548	0.3
380.38907	0.2
384.15463	0.3
465.66943	0.2
565.24829	0.5
566.24969	1.0
572.35419	0.2
633.22601	0.2
705.79968	0.3
763.76813	0.2
802.38525	1.5
803.40875	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	6.9
61.98832	7.3
69.83521	3.6
71.01394	9.0
71.90493	1.0
73.02944	2.8
74.72665	0.9
81.03440	1.1
85.02985	2.8
87.00890	2.6
89.02459	5.5
93.03488	1.8
95.01371	1.8
96.96001	6.2
101.02447	6.0
107.05007	1.7
108.02177	3.7
109.02969	13.4
113.02448	4.5
116.92879	4.8
119.03529	1.8
121.02953	7.0
123.00911	2.4
123.04548	3.5
124.01670	3.0
125.02445	3.1
133.02971	2.3
134.03769	12.6
135.04555	7.5
136.01677	20.4
137.02467	7.0
139.04051	1.5
145.02982	5.8
147.04536	1.5
148.05382	1.6
149.02489	1.7
149.06110	3.4
151.04019	13.6
152.04376	1.1
159.04532	1.1
163.03998	1.5
165.01938	1.9
165.05574	3.7
169.01370	1.2
173.06198	1.1
175.07605	1.0
177.09254	1.2
179.03557	2.6
179.05661	1.2
183.13953	3.3
185.06061	1.1
198.06973	1.5
199.07660	1.4
209.06129	3.4
211.07729	1.6
211.13400	45.2
212.13756	3.5
213.05597	2.3
225.05466	2.0
226.06424	2.1
227.07169	2.2
237.05611	4.8
238.06322	4.0
239.03481	1.6
239.07199	7.0
240.04300	1.3
240.07834	1.7
241.05115	8.0
242.05432	1.6
253.05109	2.6
254.05775	5.0
255.06622	23.0
256.07422	19.4
257.07785	2.2
267.03146	1.7
267.06586	1.5
268.07309	2.6
270.09024	3.6
271.09799	19.7
272.10129	2.0
283.06033	1.2
283.09641	1.7
285.04089	1.5
285.07721	1.5
286.71280	1.2
297.07761	1.3
299.05795	2.5
300.06403	8.0
301.07172	2.8
301.10599	1.7
310.12115	1.4
314.07858	1.3
315.08746	42.8
316.09177	4.3
317.06683	1.2
328.13229	2.7
329.10522	2.0
329.13937	2.4
339.12460	1.4
343.11893	2.6
343.15524	2.3
357.09827	1.5
357.13651	4.0
379.12683	2.6
397.13516	11.6
399.14569	1.6
415.14816	2.5
459.12952	21.9
460.13235	4.2
473.14133	1.4
478.30887	1.2
609.27502	2.6
803.29236	100.0
804.29553	30.9
804.44586	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28469	0.4
65.00332	0.9
69.72963	0.4
81.03465	2.5
83.01402	1.0
85.05582	0.4
87.04528	0.6
98.21703	1.0
107.01443	0.5
109.02928	0.5
109.06586	1.9
111.04527	7.9
112.04871	0.5
113.09743	1.5
114.80201	0.5
123.08190	0.9
125.02431	3.8
133.06602	0.7
137.02477	2.2
139.04024	1.2
151.00395	0.6
151.07652	25.1
152.08012	1.1
164.98468	0.4
165.09216	3.2
166.02689	1.6
177.05556	1.6
181.08701	6.7
182.08945	0.6
189.05577	2.0
195.06631	100.0
196.06966	5.7
205.12257	0.8
207.06636	13.1
208.07382	3.7
209.08203	13.2
210.08601	0.8
217.05051	1.6
218.05365	0.8
221.08118	2.3
223.09726	0.6
233.08226	0.6
249.11311	7.2
250.11784	0.6
263.12894	0.7
329.17462	1.2
330.10349	0.7
343.19083	1.5
357.17188	0.7
359.18643	11.8
360.18915	1.8
371.18552	1.3
431.20746	56.4
432.21063	8.3
443.20294	0.6
445.22766	0.6
565.24274	1.0
566.24670	2.5
567.25830	13.0
568.26251	2.2
579.33185	0.9
621.30341	1.6
803.39594	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	804.4806
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	11.5
63.50433	2.0
66.03480	2.6
69.19493	5.7
69.19909	11.9
82.06646	2.4
87.05648	3.8
111.57155	2.3
116.92897	2.5
129.10349	13.6
139.08780	3.1
155.08311	4.5
164.09563	4.8
165.10335	3.9
182.88144	2.3
186.12506	2.6
197.16605	2.7
202.12520	2.9
207.14986	12.0
224.17712	6.2
242.18793	9.0
281.19861	2.6
295.21429	3.9
313.22324	3.2
337.26056	6.4
418.59341	2.4
515.77869	2.9
525.37476	3.1
768.50311	100.0
769.50897	24.0
804.47461	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	805.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18847	1.1
59.01372	4.3
61.98821	5.1
62.95941	0.8
65.00314	2.4
71.01375	3.2
71.28551	1.3
72.99304	0.9
73.02945	1.8
83.01392	3.7
85.02936	1.1
85.41637	0.9
88.98823	2.6
89.01462	0.8
89.02464	1.7
93.03458	1.0
96.96030	4.2
107.01399	4.2
108.02203	3.9
109.02993	2.2
113.02490	0.9
116.33667	0.9
116.92877	2.3
119.01451	1.0
121.02995	2.8
123.00873	1.2
125.02486	4.3
129.25020	0.9
133.03020	1.3
135.00937	1.7
135.04512	2.3
136.01642	1.4
137.02484	2.2
139.04002	1.8
139.11360	1.6
148.01654	1.7
149.02438	2.2
151.00374	17.2
152.00995	0.9
161.02464	3.0
163.00400	4.6
163.04111	1.0
164.01241	2.3
165.01939	0.9
166.02750	6.6
169.01430	3.0
175.06471	0.9
178.99905	6.7
179.03508	1.5
179.41876	1.0
181.05052	5.9
183.10272	2.6
185.02310	1.1
190.99866	1.2
197.11890	2.3
198.03160	1.2
199.04027	3.3
203.03453	1.0
209.11998	1.4
211.03970	1.8
215.03517	2.1
216.04265	1.3
225.11380	3.0
226.02827	1.5
227.03532	5.2
243.02997	13.0
243.12473	2.2
244.03542	2.3
245.04462	1.1
254.02281	3.3
255.03000	37.7
256.03421	3.5
259.06033	1.2
271.02481	85.9
272.02945	9.3
273.03979	1.1
283.02307	1.1
299.02008	15.4
299.05157	1.4
300.02762	100.0
301.03418	31.4
302.03906	1.5
312.88870	1.0
327.14703	1.0
337.34869	1.0
375.27444	1.1
387.16678	0.9
403.14453	1.1
417.15607	7.2
463.08871	6.5
625.11700	8.7
626.12317	1.8
670.44232	1.1
805.19861	64.5
805.33453	3.3
806.20197	18.3
806.33502	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	0.9
59.01387	7.4
61.98835	43.6
62.37733	0.8
69.03490	0.8
69.15531	4.8
71.01388	5.9
73.02929	0.9
78.95920	1.2
79.95750	0.8
82.95435	1.5
83.01340	1.1
85.02942	2.1
87.00867	1.3
88.98814	1.1
89.02431	2.5
96.66411	0.7
96.96020	14.3
96.96965	1.0
97.02946	1.1
98.95592	5.1
98.96246	1.0
99.00892	1.5
99.92590	1.8
101.02439	3.2
104.66600	1.0
105.03451	1.7
107.05016	1.0
108.02222	0.9
109.02944	2.9
111.00879	1.1
113.02450	2.8
115.92074	2.3
116.92860	3.1
117.03424	1.0
119.03540	0.8
119.05087	0.9
121.02963	3.8
122.03622	1.0
123.04504	1.9
124.01710	0.8
125.01588	0.7
125.02402	3.8
127.11241	1.0
132.02190	1.2
133.02972	26.5
134.03816	6.6
135.04541	77.1
136.04819	3.4
137.02449	8.9
139.04054	3.4
139.11288	1.1
145.02951	2.6
147.04518	1.9
148.05304	4.6
149.02435	5.8
149.06094	23.8
150.03162	0.9
151.00308	3.4
151.04062	0.8
159.04475	1.1
160.01672	1.3
161.02457	59.0
162.02831	3.3
164.04803	13.9
165.01939	1.9
169.01501	1.0
171.10239	1.4
173.02461	1.3
175.04045	2.4
176.04779	0.8
177.02065	6.2
177.05585	41.5
178.02731	5.1
178.05957	2.6
179.03514	85.2
180.03873	4.7
183.10211	1.1
189.01952	0.7
197.06125	1.0
197.11826	5.4
201.11354	0.9
203.03476	2.0
209.11848	9.5
212.08351	2.4
220.03830	5.4
221.04562	58.9
222.04933	3.8
223.07498	0.9
225.05656	1.0
225.11276	0.9
227.12799	1.7
239.07167	2.5
240.07901	1.9
251.05389	8.0
252.07947	2.4
253.05048	2.3
253.08992	1.7
255.06645	1.1
256.07379	2.3
267.06616	5.6
268.07443	14.3
269.07831	1.9
271.09802	6.7
280.05774	3.6
281.06699	32.0
282.06985	3.3
283.06708	1.2
283.09674	6.3
284.03302	1.1
284.10092	1.1
285.04062	2.1
287.05640	1.6
293.04477	0.8
299.99393	1.0
300.99847	1.2
301.03357	1.0
301.07175	0.8
301.10791	2.6
315.08755	0.9
323.07651	10.3
331.24799	4.5
359.11279	6.4
383.11719	1.2
397.13507	3.2
401.12442	21.1
402.12811	2.2
415.14627	1.3
431.13516	18.2
432.13867	2.7
461.14557	100.0
462.14963	14.0
503.15649	3.4
504.15393	1.1
521.16443	0.8
606.17303	1.6
607.18164	11.4
608.18347	2.4
685.23004	1.6
708.18872	0.8
787.25940	5.4
788.26544	1.6
805.42102	2.4
809.55933	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	16.9
59.77525	3.6
61.98822	15.8
69.69442	18.1
71.01389	21.8
73.02933	3.6
81.03454	4.7
81.94598	3.3
82.28116	3.5
83.05032	7.0
87.00891	5.2
89.02419	5.2
92.05227	3.7
97.06634	4.4
101.02462	5.2
109.06585	16.9
111.08175	6.5
116.92833	6.4
161.04526	4.3
163.11295	10.2
165.12891	5.4
171.10277	5.5
181.12331	5.9
197.11824	47.1
198.12134	5.2
207.10275	36.9
208.10612	4.0
209.11838	100.0
210.12231	6.3
211.13362	17.5
225.11304	25.9
227.12877	37.2
235.08211	8.0
253.09309	23.2
263.20108	6.5
289.18152	9.9
291.19650	16.6
297.07712	8.9
307.19168	21.7
309.20712	52.0
310.20700	5.1
365.06519	4.5
396.75742	3.7
461.20651	5.5
594.49432	4.6
753.39978	6.8
754.44983	8.2
807.39227	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	808.486
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
62.83688	0.3
62.98542	0.4
64.22248	0.4
84.66522	0.3
98.21780	1.4
139.24850	0.3
176.19878	0.4
229.32738	0.6
233.28285	0.4
326.70221	0.4
390.26349	0.4
421.22400	0.4
487.78204	0.4
786.75415	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99329	0.7
61.98842	1.4
81.48428	0.6
88.98826	3.3
93.03466	5.1
95.01385	0.9
95.05028	1.2
99.48743	0.6
108.02196	1.2
109.02982	1.6
119.93668	0.6
121.02959	8.6
122.03754	15.5
123.00887	2.0
123.04560	1.6
124.01691	1.4
125.02494	1.7
132.02191	0.9
133.02980	2.1
134.03746	2.9
135.04500	0.6
136.01675	5.7
137.02487	6.4
143.51816	0.6
145.02979	1.0
146.03786	1.9
147.04510	1.2
149.02454	31.7
149.06082	3.0
150.03238	100.0
151.00427	1.7
151.04034	19.3
152.04675	1.0
161.02422	0.9
161.06128	0.9
162.03223	1.8
163.04028	0.8
164.04802	7.0
165.05582	96.5
166.02718	5.2
166.05896	5.4
167.03529	1.7
169.01454	1.0
175.03929	0.9
177.01932	1.2
177.05554	3.1
178.02803	0.8
179.03569	1.2
179.07138	9.2
180.04308	6.1
181.05066	7.8
182.05539	0.8
187.04056	0.8
190.83188	0.7
192.04308	0.8
193.05090	1.6
195.06638	56.9
196.06921	3.5
205.05055	2.4
207.06606	1.0
209.08098	0.6
219.06583	1.6
220.07356	2.0
234.64294	0.7
329.10474	0.9
343.10620	0.8
387.14426	2.6
403.13718	1.1
417.15637	9.3
418.15503	0.8
518.26556	0.6
535.19409	1.5
548.28821	0.7
551.18665	0.9
564.19403	1.8
565.20782	20.2
566.21027	4.7
595.21667	2.6
597.43268	0.8
613.22925	4.8
685.39911	0.7
713.26117	8.1
714.25702	2.6
719.24841	2.4
743.26343	2.3
744.26300	1.1
761.27203	1.9
769.61615	0.8
773.27502	1.0
809.28790	1.4
814.54773	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3035
Annotation	Unknow
Peak:m/z	Relative Intensity
61.28395	0.4
61.98826	1.4
73.59161	0.4
85.09373	0.4
90.65530	0.3
93.03460	5.1
95.01379	0.4
105.03497	0.4
108.02228	0.6
109.02963	1.2
121.02969	5.4
122.03753	15.9
123.04501	1.3
124.01652	0.8
125.02451	1.0
128.28049	0.5
133.02969	1.7
134.03745	1.0
135.04544	0.6
136.01668	4.3
137.02457	2.9
137.03366	0.5
146.03687	1.1
149.02451	25.5
149.06090	1.7
150.03235	100.0
151.00403	1.6
151.03979	8.0
152.01083	0.5
152.04616	0.5
159.04561	0.4
161.02437	0.5
161.06029	0.6
164.04813	4.9
165.01996	2.1
165.05577	92.7
166.02731	5.3
166.05901	4.5
167.03432	0.7
177.01991	1.0
177.05548	1.4
179.03546	1.2
179.07127	4.3
180.04298	7.5
181.05074	6.6
187.03928	0.5
192.04283	0.5
195.06631	62.3
196.06984	3.7
205.05003	0.8
207.06630	0.8
219.06599	1.3
220.07416	0.9
225.07564	0.9
232.07370	0.4
271.99832	0.5
329.03168	0.4
357.09708	0.5
373.12552	0.7
387.10913	0.6
387.14713	3.3
403.13882	0.5
417.10782	0.5
417.15652	6.7
565.20764	11.1
566.21216	2.4
578.73578	0.5
595.21631	1.5
613.23175	3.1
614.22876	0.5
713.25507	1.3
761.26923	0.8
809.29358	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.80523	0.7
59.01347	0.8
60.08581	0.7
61.98819	2.8
69.52038	0.8
69.52335	4.5
70.02750	0.8
74.04435	0.9
93.03482	4.1
108.02195	1.4
116.92895	1.3
121.02966	4.5
122.03748	17.0
123.00885	1.2
123.04591	1.1
124.48312	0.9
125.02408	1.0
133.02975	2.2
136.01648	2.1
137.02443	1.8
138.03207	1.2
148.38280	0.8
149.02451	25.2
150.03235	100.0
150.46646	0.9
151.00404	2.1
151.03670	4.0
154.02715	0.8
162.03253	2.2
164.04796	4.1
165.05577	99.6
166.02719	3.5
166.05891	5.9
177.05573	2.0
179.07196	4.2
180.04291	6.7
181.05075	5.5
193.05002	1.3
194.05487	1.1
195.06639	83.4
196.06958	5.0
203.03517	1.0
257.51303	0.8
367.48508	0.9
382.75922	1.0
387.10443	1.5
387.14804	1.6
417.15576	7.9
505.38864	0.9
565.20966	2.4
595.20984	1.2
613.22571	2.7
809.29413	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	809.4629
Annotation	Unknow
Peak:m/z	Relative Intensity
64.99099	1.9
66.84849	1.7
71.29726	2.9
109.03001	2.2
124.01675	3.9
131.05923	2.2
135.46300	1.7
139.03995	3.0
156.12099	1.9
171.04555	2.5
173.06082	5.3
177.85669	2.1
217.05107	5.5
281.04666	5.5
295.06305	2.4
296.06863	8.3
311.09488	3.6
355.08218	2.5
360.16898	2.0
433.85321	2.4
809.46344	100.0
810.46661	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4981
Annotation	Unknow
Peak:m/z	Relative Intensity
63.66882	81.8
71.17016	100.0
131.96143	82.8
187.56635	86.9
375.99518	77.4
377.92630	93.8
823.23108	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	811.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.7
59.51901	2.3
61.98817	4.5
64.65482	2.1
71.01382	6.6
87.00887	2.8
89.02449	3.1
93.03452	3.5
97.02927	2.7
101.02419	5.4
107.01385	9.0
109.02992	2.7
111.00856	9.0
113.02462	2.7
123.00883	9.8
123.04541	4.4
124.01681	5.9
125.02461	43.6
137.02463	3.8
139.00316	4.5
140.01125	3.1
145.74225	2.6
149.02451	5.4
150.03185	3.4
151.00346	6.1
151.04010	3.8
161.02480	2.7
164.04816	5.5
165.01912	9.3
168.00642	5.9
169.01440	63.7
170.01736	2.6
179.03482	3.8
180.04269	3.6
193.01385	2.6
193.08711	11.8
195.06595	13.0
201.11275	3.2
211.02454	6.0
225.07719	5.8
271.04593	8.9
289.07208	4.8
313.05560	2.7
333.26175	2.1
423.05661	2.7
423.16534	3.3
483.07910	5.8
530.19287	2.4
569.22327	8.4
721.23462	100.0
722.24213	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	811.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94022	0.7
59.01384	11.4
61.98832	12.8
62.26617	0.9
70.80874	0.7
71.01101	0.6
71.01387	7.0
74.25895	0.6
77.30595	0.7
79.05537	2.2
81.03454	1.7
83.01413	1.2
85.02934	1.3
87.04542	1.2
89.02458	4.8
96.96047	3.5
98.21781	1.3
101.02450	3.3
103.28632	0.7
105.03475	2.7
107.05042	1.1
108.02199	1.2
109.02930	2.0
111.00952	0.8
113.02460	2.0
119.03531	2.1
119.09161	0.7
121.02956	1.0
122.03746	2.1
123.00932	0.9
123.04536	32.5
124.04803	1.0
125.02450	8.4
125.09751	1.7
130.78679	0.7
131.03522	0.7
133.10184	0.7
135.04533	9.4
137.02481	3.0
139.03911	0.8
147.04533	2.9
149.02460	7.1
149.09770	5.0
150.03195	2.8
151.04053	1.6
161.02373	1.0
163.04045	0.7
164.04904	0.9
165.01947	1.7
165.05576	3.2
167.03557	1.0
168.25818	0.7
169.01443	8.9
175.03984	0.9
175.07634	2.0
179.05705	1.0
193.08710	100.0
194.09055	6.3
195.06590	2.7
205.08701	26.4
206.09143	2.0
217.08734	2.5
229.05109	0.9
229.08687	1.1
235.09772	1.5
239.07016	0.8
245.08104	1.0
247.09679	1.0
271.06299	0.8
289.07144	2.6
293.11890	1.7
295.09814	1.4
296.10733	1.4
309.11267	5.4
310.12106	1.3
311.12830	6.5
325.39233	0.8
329.10605	2.0
351.11993	0.9
355.13986	6.7
363.15979	0.9
365.13898	1.0
367.13956	11.4
379.15414	7.2
380.15973	1.2
381.17102	79.4
382.17422	12.9
406.85983	0.8
423.16736	1.7
536.68695	0.8
543.22430	18.0
544.22687	2.9
561.23431	13.5
562.23517	2.2
585.23175	1.3
641.25452	1.2
642.51117	0.9
659.27051	2.9
723.28766	20.5
724.28870	3.7
811.26929	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	811.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	7.8
71.29604	2.0
80.61343	1.4
81.53610	1.3
93.03453	4.6
96.96036	2.4
121.02978	4.5
122.03748	15.8
123.04600	1.6
125.02476	3.3
133.02975	1.7
135.04607	1.6
136.01666	4.3
137.02454	5.5
149.02435	23.7
149.06114	1.5
150.03236	94.6
151.03957	8.6
161.02443	1.3
161.06111	1.4
162.03204	2.4
163.04001	2.4
164.04828	4.4
165.01938	15.9
165.05577	100.0
166.02600	2.8
166.05872	3.9
169.01477	3.0
175.04041	2.9
177.01959	1.5
178.58501	1.2
179.03519	5.3
179.07173	2.6
180.04289	19.3
181.04967	1.9
189.05499	1.9
190.06300	2.0
191.07130	1.9
192.04153	1.6
193.04977	2.1
194.05888	1.6
195.06638	85.0
196.07048	5.2
207.06674	1.7
225.07649	14.2
257.11783	1.5
262.86584	1.3
270.09103	3.8
285.11377	4.3
286.08490	2.1
298.08380	2.8
299.09344	3.1
301.10858	2.7
313.10931	1.8
314.07904	5.4
324.09814	1.3
326.07944	2.5
329.10309	11.3
330.10736	2.1
341.10294	15.5
342.10800	3.2
343.11722	2.3
344.12640	18.4
345.13092	3.2
347.32788	1.5
356.12650	5.2
357.13419	1.6
358.14111	1.8
359.15018	41.9
360.15344	4.5
371.14960	25.8
372.15506	3.1
373.12927	5.7
375.14581	1.3
389.16122	8.8
421.15329	2.1
436.99765	1.4
451.97034	1.4
537.21808	2.9
567.22333	15.9
568.22766	3.9
585.23553	2.4
615.24237	5.4
807.98187	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	812.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.9
65.00336	1.1
69.37907	3.7
79.95728	1.5
80.96515	1.6
93.03460	1.1
96.96030	0.7
98.22510	1.2
109.02954	1.0
121.02979	1.8
123.04543	5.9
124.01669	6.2
125.02468	10.6
137.02463	1.9
139.04033	28.2
149.02463	13.4
151.00430	1.5
151.04031	26.1
152.04309	1.2
161.02409	0.8
165.01947	9.1
167.03490	3.4
169.01472	5.0
175.03856	0.8
177.01962	7.7
178.99921	1.8
183.03041	1.1
193.01453	13.1
195.02898	1.2
230.99704	37.8
232.00038	2.2
240.04214	1.3
243.02979	1.6
257.04651	1.1
261.04099	0.8
267.02975	0.7
269.04608	0.9
273.07767	0.8
280.29309	0.7
285.04114	1.8
287.83130	1.0
289.07190	4.4
299.05728	6.0
300.99829	1.0
303.05322	0.8
304.16833	0.9
317.06674	10.5
318.06943	1.1
348.72113	0.7
397.02356	100.0
398.02737	11.7
580.27533	0.7
599.84595	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.4928
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	38.0
69.20585	44.8
71.02487	7.9
73.46088	5.7
89.06326	5.3
96.64687	6.5
96.95995	7.6
98.02506	8.7
109.63104	7.1
111.76790	6.7
116.15236	6.8
129.10362	26.8
135.92078	13.6
140.07198	11.8
141.06712	19.2
141.67447	6.2
142.05139	12.7
164.09612	6.5
164.83658	16.2
167.15385	6.7
185.10396	6.4
194.11755	6.9
207.15039	16.0
236.14049	21.9
237.12555	8.3
241.13383	7.8
242.18661	14.2
254.15253	7.2
356.24399	7.0
367.23557	11.9
371.24457	7.6
471.31161	5.7
627.39136	49.6
628.39594	13.5
812.49500	100.0
813.49463	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	812.4933
Annotation	Unknow
Peak:m/z	Relative Intensity
61.29230	4.4
61.98834	7.6
69.18890	8.9
69.19303	16.3
78.95934	4.0
98.02502	7.1
99.92550	3.9
112.07623	3.9
123.05701	4.0
129.10376	27.7
139.08769	8.8
141.06703	33.7
142.05096	12.6
155.08228	8.5
157.79758	4.6
164.09557	10.4
165.10304	19.8
182.13000	5.5
194.09340	18.2
195.07791	7.2
197.16548	4.6
207.15007	34.6
212.10423	14.2
224.17711	17.0
225.16022	4.8
242.18785	20.1
307.17819	21.3
325.18802	21.4
337.26025	20.4
355.27228	12.7
481.67874	3.8
551.35681	88.1
552.35840	13.3
585.33948	5.7
751.92474	4.5
794.47388	5.6
812.49219	100.0
813.49475	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93017	1.6
58.84134	1.7
59.01368	7.0
67.09540	1.5
69.31984	10.9
69.32381	3.6
71.01366	3.7
75.09542	1.6
79.63774	1.9
81.03497	1.5
89.02438	3.4
95.01347	1.6
97.02935	2.9
97.59900	1.8
98.21768	3.8
101.02451	2.5
107.01387	2.3
109.02982	12.5
115.95116	1.6
117.77225	1.7
123.04517	6.0
125.01547	3.4
125.02459	69.8
132.88232	1.6
135.04570	1.8
137.02403	8.9
139.03984	2.2
145.02870	2.0
149.02420	2.4
150.03175	1.8
151.04025	5.1
151.51881	1.9
161.06131	2.2
165.01968	2.9
167.03517	2.3
169.01436	100.0
170.01756	5.1
179.03342	2.7
183.04692	2.1
187.04071	2.3
188.04617	1.9
193.01384	3.3
196.78499	1.6
203.07101	5.2
205.05095	3.9
209.08203	2.5
245.08179	8.5
271.06143	3.5
289.04242	3.1
289.07236	39.2
290.07425	4.0
319.99969	2.2
331.04794	2.8
366.71213	1.9
441.08356	37.5
442.08640	4.6
813.43781	9.0
814.43317	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	813.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	14.9
59.01372	3.1
60.99294	0.7
61.98823	3.5
69.03452	1.2
70.65073	0.8
71.01394	2.2
71.27588	0.8
81.03442	1.4
83.01389	4.9
88.98838	2.9
93.03475	2.5
95.01397	1.5
95.05028	2.5
96.96041	1.1
96.99307	1.4
97.02961	3.3
107.05063	1.1
108.02156	1.1
109.02976	17.2
111.08227	1.0
119.04986	0.9
120.61185	0.8
121.02938	3.3
123.04542	12.2
124.01679	0.9
125.02458	100.0
126.02815	3.4
133.02995	4.4
135.04546	2.1
137.02458	21.7
139.03995	2.6
145.02956	1.5
149.02467	6.3
149.06058	0.9
150.03200	1.0
151.04018	10.4
159.04517	4.4
161.01122	1.7
161.02457	33.2
161.06082	2.9
162.03053	2.6
163.00333	1.7
163.04039	3.8
164.01196	5.1
165.01958	4.4
167.03586	1.9
169.01425	1.3
175.04037	10.2
175.07704	1.2
177.01936	4.6
177.05623	2.0
179.03491	3.6
179.07129	5.4
181.08759	5.2
187.04019	8.0
188.04739	2.4
201.05573	1.5
202.06374	1.0
203.03470	2.7
203.07144	7.5
205.01427	2.1
205.05049	4.9
210.87543	0.8
211.03989	1.1
213.05615	1.4
215.03511	2.8
216.04143	0.9
217.05119	1.9
219.06511	1.4
221.08267	1.2
227.03589	1.9
227.07132	1.5
228.04268	1.3
229.05098	4.4
230.05714	1.1
231.03040	1.1
231.06633	1.2
238.11981	0.8
241.70024	0.9
243.02917	3.2
245.04555	6.8
245.08177	9.1
246.08569	1.1
247.06303	1.2
255.03012	8.5
256.03757	4.5
257.04459	2.3
269.04797	1.3
271.05984	1.0
273.04178	4.5
281.04443	2.8
282.01587	1.1
283.02472	1.9
285.04019	2.0
287.05664	15.8
288.02658	1.1
288.05798	1.4
289.07199	41.5
290.07605	4.6
297.04367	1.3
297.07663	1.4
299.05591	6.8
300.05981	1.2
339.08749	4.4
341.10291	2.1
361.16742	4.8
381.09778	2.7
407.07721	52.1
408.08011	6.2
425.08820	35.8
426.09216	5.4
451.10403	14.8
452.10782	1.7
461.12006	1.1
479.13681	3.3
503.81769	0.8
523.19818	2.5
524.20068	0.9
559.12762	1.6
577.13586	28.9
578.14020	6.0
631.18054	2.9
661.23242	4.1
662.23724	1.6
813.26019	4.0
814.26923	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	815.0957
Annotation	Unknow
Peak:m/z	Relative Intensity
71.27003	2.2
72.06305	1.3
95.01412	2.0
125.02488	2.1
145.02977	3.9
147.04538	3.8
157.02971	1.9
159.04478	2.5
161.02507	1.7
163.03966	2.2
173.02406	5.7
175.03975	3.1
177.01915	1.9
183.30460	1.4
185.02449	7.0
189.01886	3.1
190.02724	1.8
191.03481	3.9
192.74561	1.3
201.01971	11.2
203.03546	10.0
213.01944	3.1
217.01422	2.3
219.03004	3.1
229.01430	18.9
231.02977	4.9
245.00920	3.4
247.02554	4.1
249.04024	6.6
257.00952	13.8
258.01581	4.3
261.82974	1.4
273.00519	1.9
274.01114	1.7
275.01990	56.0
276.02292	4.8
283.99637	4.4
299.99228	3.9
300.99908	100.0
302.00327	7.2
474.37805	1.5
481.06293	2.2
507.51251	1.7
664.39587	1.6
702.58771	2.0
783.06970	18.2
784.06757	3.9
815.09607	19.3
816.09540	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	815.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
57.57071	0.8
59.01376	2.9
60.21101	0.7
66.01102	0.8
66.54957	0.7
67.01880	1.8
67.03262	0.7
68.99830	1.3
69.03442	2.1
69.18642	0.8
69.19347	5.5
69.22488	0.7
71.01381	4.7
73.02950	1.8
79.01883	1.3
81.03463	0.9
83.01403	1.7
85.02956	2.2
87.00875	1.3
92.44606	0.7
95.01397	3.8
97.02969	1.9
99.00894	0.9
101.02456	2.5
107.01401	15.8
111.00914	3.5
113.02450	1.3
117.03497	0.8
121.48493	0.8
123.00901	16.9
124.01659	2.9
125.02456	75.2
126.02800	2.8
136.98827	1.9
139.00374	5.7
140.01208	4.8
141.01929	1.6
151.00375	9.3
151.14870	0.8
153.01952	0.9
165.01917	1.1
166.99847	1.4
167.03511	1.5
168.00618	7.8
169.01437	79.9
170.01779	2.9
181.01392	0.9
183.03264	0.8
191.05702	1.9
211.02536	4.2
237.04164	1.1
248.81337	0.8
253.03616	0.9
271.04681	2.4
295.04605	1.0
313.05606	5.3
373.07880	2.6
573.00745	0.9
645.24084	1.8
663.25146	11.3
664.25781	2.2
815.26196	100.0
816.26434	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	815.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.7
67.60378	0.5
69.39574	2.3
71.01388	3.1
79.05536	3.7
81.03457	0.7
85.02969	0.6
85.06618	0.4
89.02454	1.1
93.03481	1.5
101.02448	1.0
105.03484	1.9
107.01385	0.9
107.05101	0.5
109.02964	0.5
111.00838	0.4
111.04534	0.5
113.02444	0.5
121.03004	0.8
122.03769	1.1
123.00871	1.3
123.03638	0.8
123.04535	15.3
124.04853	0.7
125.02450	5.3
125.09716	0.5
137.02464	0.9
139.00349	0.4
139.03963	0.6
145.03072	0.5
147.04494	1.9
149.02452	4.5
149.09720	9.8
150.03134	0.5
151.00409	0.6
151.04031	1.0
163.00496	0.5
163.04016	0.7
163.07607	0.5
165.01903	0.5
167.03462	0.8
168.00800	0.4
169.01434	5.3
175.03983	0.8
183.06503	0.4
191.05614	2.7
191.07187	0.8
192.07903	0.7
193.08707	100.0
194.09062	5.7
207.10249	0.7
217.08699	9.0
217.14117	0.5
218.09026	0.8
233.08238	0.7
235.09740	5.2
247.09744	1.0
259.09607	0.4
261.07672	1.1
262.46234	0.4
289.07272	0.5
301.00226	0.8
355.14008	9.1
356.14426	1.2
381.12146	1.0
815.26215	5.1
816.25854	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4382
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.7
58.87215	0.3
59.01397	0.6
60.58434	0.4
61.98518	0.5
61.98831	8.6
62.16785	0.3
69.69509	1.6
71.01374	1.4
73.02948	2.5
78.36059	0.4
78.98597	0.5
79.95732	1.5
80.96520	5.7
87.00907	0.4
87.04522	1.0
94.98090	1.4
96.96029	0.7
97.36082	0.4
98.22485	0.4
106.98088	0.5
125.02451	0.8
125.09765	0.5
134.97610	0.5
148.99129	0.6
150.64203	0.3
156.91927	0.3
164.98679	0.9
172.02242	0.3
207.10190	0.4
219.06696	0.7
225.00832	1.1
269.04596	1.9
297.04089	1.5
307.47549	0.3
312.06458	4.2
327.08783	4.1
327.12369	0.7
328.09088	0.7
397.31158	1.2
399.33347	0.5
399.80917	0.4
413.34372	0.5
415.32349	1.6
416.32764	0.4
425.34729	0.5
443.35480	0.7
487.34351	100.0
488.34686	17.4
540.53070	0.4
604.02582	0.5
815.50018	6.5
816.50293	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.2
63.96236	2.0
69.03449	0.9
71.01385	9.1
72.99285	0.4
73.02944	1.8
78.98172	0.7
78.98599	7.7
79.95745	18.2
80.96523	100.0
81.03455	1.0
85.02966	3.6
87.00873	3.0
94.98093	21.8
96.96030	1.6
97.02958	1.5
98.22682	0.7
99.00887	0.9
101.02471	2.9
105.73491	0.4
106.98100	4.4
113.02483	0.5
122.97602	4.5
125.02469	3.8
127.00153	0.4
127.04034	0.8
134.97588	6.6
136.99156	1.3
141.01727	0.7
142.33194	0.4
146.97615	0.4
148.99150	7.6
152.98647	7.8
152.99774	0.8
164.71350	0.4
164.98639	15.3
167.00165	0.7
167.77634	0.4
206.99686	3.3
221.23210	0.5
225.00749	19.0
226.01068	0.7
255.23235	2.4
276.10352	0.6
277.21790	1.0
537.27490	1.3
559.25287	2.3
815.49908	71.0
816.50220	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.5269
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.7
70.91245	1.2
71.01412	1.2
71.54727	0.6
78.54322	0.8
89.02424	0.7
101.02431	1.2
102.39626	0.8
113.02430	0.8
124.04386	0.6
211.90369	0.7
248.47357	0.9
253.09285	4.7
277.21725	100.0
278.22025	9.8
278.24832	0.9
278.49597	0.6
400.22717	0.9
531.87451	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
60.48670	0.7
68.98701	7.1
69.72604	0.8
71.01385	4.0
81.03438	0.8
85.02962	2.8
86.55405	0.7
93.03454	9.1
95.01382	1.5
97.01809	0.8
101.02439	1.6
108.02184	33.0
109.02969	18.1
110.03279	1.0
113.02430	1.2
126.49839	0.8
130.71913	0.9
136.01697	1.5
137.02452	17.8
138.02742	1.1
139.55441	0.8
151.04053	0.9
152.01154	43.3
153.01953	13.4
165.01910	0.7
218.05769	1.5
233.08179	5.5
261.07703	8.0
263.64392	0.8
281.06711	5.2
315.07272	7.0
316.07602	1.0
340.70642	0.8
381.11853	6.0
391.10501	1.4
435.09320	100.0
436.09671	13.1
603.83612	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.232
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98252	4.0
59.01378	9.1
61.98824	4.3
66.18250	3.6
71.01372	7.6
71.28517	5.3
81.03425	3.9
89.71185	4.4
96.96027	5.6
97.02881	3.8
107.01383	8.1
111.00846	5.3
113.02448	5.5
119.87689	3.6
123.00877	17.0
123.91531	4.1
125.02455	57.9
139.00336	5.0
140.01111	4.8
141.04784	3.8
151.00386	6.5
156.53444	3.8
162.25812	3.7
168.00648	6.7
169.01433	73.5
209.08157	10.6
209.11891	4.9
241.05046	5.5
269.04565	11.3
287.05338	4.3
298.04849	11.1
299.05560	12.0
308.38785	4.1
445.11392	34.6
502.98187	4.2
533.29614	4.8
629.24567	9.6
781.25604	100.0
782.26642	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	817.3807
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.1
63.54353	1.6
74.21033	1.4
81.72563	1.3
85.02954	4.7
87.04531	3.0
90.97542	1.3
91.03298	1.4
92.92525	1.5
98.22633	2.9
109.02986	4.8
111.00890	7.0
111.04533	17.1
111.08179	1.5
113.02467	9.1
113.09727	14.4
137.02469	2.8
151.07614	2.8
153.01947	16.5
155.03522	5.0
161.06097	2.9
165.05556	3.3
166.06401	1.9
167.07111	1.9
179.07130	1.9
181.08713	92.7
181.53679	1.5
182.09033	5.7
189.05475	3.2
195.06616	7.8
207.06612	5.1
208.02966	1.4
209.08240	6.5
219.06770	1.8
219.10205	3.0
221.08200	1.5
221.11780	2.1
233.08180	3.0
285.11356	2.9
285.14926	1.6
299.09125	1.5
301.10687	1.8
323.12375	1.6
345.09775	3.1
347.11349	7.2
351.12354	1.9
365.13986	4.1
367.11823	2.0
369.13403	22.9
370.13770	3.8
371.15170	2.8
383.15015	4.5
390.17062	1.6
394.10641	2.0
399.14038	2.1
409.12891	4.2
417.09879	1.8
425.19595	2.4
427.21320	27.8
428.21658	5.2
431.21112	1.9
452.18564	6.9
461.16733	2.0
467.20679	2.9
469.18613	1.8
505.80002	1.9
519.23822	5.2
523.15582	1.8
563.22754	5.0
573.28473	4.5
581.23895	100.0
582.24152	22.1
617.27710	3.9
635.28625	52.5
636.29193	12.7
799.37250	3.6
817.38318	13.4
818.38629	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	817.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	6.5
65.60193	3.6
69.21143	8.3
69.21564	12.9
71.01402	4.8
72.42049	2.8
72.68092	3.2
79.01868	4.6
83.01421	3.9
95.01385	4.6
96.96006	5.5
97.02976	3.8
98.21765	5.8
101.02448	3.4
107.01392	11.5
111.00906	5.5
123.00921	39.0
125.02468	41.8
126.57791	3.0
136.98886	4.1
139.00356	12.8
140.01207	9.6
151.00404	15.9
168.00684	4.6
169.01424	40.7
170.01682	3.5
299.99310	5.9
300.99899	5.4
351.59988	3.7
517.15076	3.7
773.41217	100.0
774.41620	21.9
817.40222	62.4
818.40607	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	817.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00607	0.8
59.01374	2.0
61.98836	16.7
71.01372	2.8
73.02583	0.8
73.02953	8.1
80.96525	3.8
85.02937	2.0
94.98095	0.9
102.29819	0.6
108.02149	1.1
109.06554	0.7
135.04529	0.9
146.42850	0.7
149.06097	0.9
157.26053	0.8
163.11316	0.8
164.04744	1.0
164.98747	0.7
165.05580	1.1
207.10272	3.0
209.11787	0.9
211.13359	1.9
219.06541	1.6
225.00775	0.9
225.11426	1.1
228.89539	0.8
343.11972	1.0
391.30051	1.0
397.31006	1.2
411.33096	0.8
429.33691	1.6
454.73984	0.8
463.33020	0.8
473.32739	100.0
474.33109	18.3
714.00983	0.8
817.37115	1.8
817.51678	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	818.4185
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
62.98543	0.2
68.05199	0.1
69.24531	0.6
69.24947	0.3
71.01408	0.2
78.46642	0.2
80.96532	0.5
81.15140	0.2
82.96129	0.1
83.93999	0.1
94.98135	0.2
96.96028	0.2
100.82893	0.1
110.26666	0.1
131.62239	0.1
171.24402	0.2
209.11960	0.2
486.33286	0.2
526.38159	0.2
547.00909	0.1
818.37476	0.2
818.51892	0.3
819.53003	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4547
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
62.43183	0.2
71.01386	0.2
80.96532	0.4
83.20405	0.1
94.98100	0.2
98.21783	0.3
103.55930	0.2
138.03189	0.1
139.82990	0.1
224.70120	0.1
225.00746	0.2
227.63408	0.2
287.83255	0.2
428.53342	0.2
819.42163	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4597
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16584	2.5
61.98830	6.9
71.28631	3.5
74.23953	2.5
81.44181	2.3
110.03552	2.5
112.04046	7.2
129.10353	25.1
139.08778	2.7
146.06122	5.7
155.08276	5.2
164.09425	2.6
165.10329	4.3
182.13091	4.0
198.08008	4.2
200.14047	3.7
207.15034	5.6
208.09622	3.2
224.17656	4.9
225.16095	4.4
241.13440	11.0
242.18755	13.0
259.14600	3.2
280.18964	2.8
337.25995	5.2
355.27057	2.9
522.33160	4.8
765.46033	4.2
782.48285	100.0
783.48547	35.6
818.47369	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	819.4025
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.5
58.00579	1.0
59.01382	21.3
61.98816	1.9
65.08984	0.5
69.03442	1.8
70.40579	1.2
71.01386	15.7
71.05025	0.7
72.99297	1.5
73.02940	3.0
80.02654	1.0
81.03461	1.6
82.95440	0.6
83.01382	2.2
83.05035	5.7
84.02167	0.8
85.02964	4.2
87.00866	4.0
89.02444	13.9
93.03474	0.5
95.01394	1.3
95.05059	0.7
95.38979	0.4
96.96014	0.7
97.02950	2.3
97.06602	0.6
99.00869	0.7
101.02446	11.0
108.02167	0.8
109.02952	0.6
111.04547	0.8
113.02467	5.7
114.93409	0.8
115.03989	0.6
116.92896	0.6
119.03497	3.8
125.02446	5.8
131.03548	0.7
137.02489	0.6
141.01926	0.6
143.03520	2.5
151.03899	0.5
161.04559	2.9
163.11319	3.9
165.12883	2.3
167.03491	0.7
171.10312	0.7
179.05608	3.5
181.12358	1.0
183.13890	6.1
191.10783	0.7
193.12354	1.7
209.11838	100.0
210.12158	8.4
211.13399	89.5
212.13759	6.5
221.06720	1.5
227.12907	14.2
228.13275	0.8
235.08194	5.1
242.31818	0.5
249.14877	0.6
251.12881	0.7
253.09232	0.9
259.08167	0.6
263.07776	0.8
287.07645	1.2
301.87357	0.6
305.08817	1.4
323.09848	1.3
373.25867	0.8
379.12445	5.1
397.13531	35.0
398.14075	3.4
415.14578	8.8
415.19586	0.8
416.14603	0.8
421.26318	0.5
467.52197	0.5
591.26501	1.6
607.26123	0.8
609.27753	2.5
801.38696	0.8
819.38885	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.2
65.00342	0.5
71.01371	1.3
74.10301	0.4
74.99090	1.0
75.00873	1.3
85.02950	1.8
86.42925	0.5
87.00871	0.7
93.03455	0.4
95.01407	0.9
99.00905	1.2
102.81034	0.4
107.01427	0.6
109.02927	0.9
110.00096	4.0
111.00887	1.6
113.02441	1.8
121.02960	7.2
122.03383	0.4
123.00861	1.0
125.02469	1.0
136.98788	1.0
137.99632	2.0
139.00394	5.9
151.00363	1.3
161.02586	0.5
165.99086	4.7
166.99875	2.9
178.99858	4.5
193.98431	0.6
194.99344	1.0
198.03220	1.2
199.03958	0.6
201.01924	0.6
206.99400	0.8
208.00165	0.5
215.03461	0.8
226.02850	0.5
227.03500	1.5
231.03018	0.7
232.03828	0.6
237.04504	0.5
241.01350	0.5
242.02138	2.3
243.02979	2.2
244.03551	0.8
249.06190	4.6
255.02864	0.6
259.02454	1.3
270.01703	4.8
271.02490	18.4
272.02911	1.5
287.01990	20.5
288.02469	3.4
299.04718	0.9
316.02246	51.6
317.02878	13.2
318.03525	0.7
327.95578	0.5
331.80136	0.4
371.09882	12.9
372.10117	1.5
376.93137	0.5
449.07245	100.0
450.07602	14.2
459.45181	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.7
63.34051	0.7
67.01876	1.5
69.34438	3.9
71.01384	2.4
75.62519	0.9
83.01383	1.2
83.02784	0.8
85.02966	2.0
87.00899	1.0
93.03487	1.8
95.01374	0.9
96.96004	0.8
98.21774	1.7
107.01411	4.6
109.02934	0.9
111.00893	2.2
113.02440	0.8
119.05024	0.9
121.02950	0.8
122.05572	0.6
123.00896	7.9
123.04512	0.7
124.01706	1.2
125.02458	33.8
126.02802	2.2
127.00417	1.8
136.98769	1.3
137.02448	1.9
139.00372	15.4
139.04031	2.3
140.01187	8.9
141.01920	2.2
143.39372	0.8
148.89067	0.7
149.02415	0.9
151.00365	4.4
151.04050	1.4
153.01964	2.2
154.02754	8.4
155.03502	2.3
161.02460	1.3
163.04047	0.8
164.01143	0.9
165.01956	1.7
167.03516	2.6
168.00641	5.2
168.04077	0.9
169.01447	30.7
169.05046	4.0
170.01791	1.0
175.04057	0.9
177.01970	5.8
182.02133	0.8
183.03018	6.8
184.03368	0.7
191.03842	1.2
191.05609	8.2
217.01425	0.8
217.04968	1.1
225.03966	0.8
243.02980	2.2
256.94031	0.9
261.04010	1.1
275.01703	0.9
285.06155	1.5
289.07364	0.9
300.99954	2.1
303.05109	0.9
305.06647	1.0
313.05667	5.1
327.07233	2.9
328.80692	0.7
337.09369	1.6
372.71277	0.9
483.11475	100.0
484.11804	11.7
532.94800	0.8
617.62384	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83841	6.1
59.01366	22.1
61.98826	13.1
67.01904	5.6
68.99821	6.5
71.01391	100.0
71.28436	8.8
72.99336	5.9
73.02941	7.9
81.03461	8.6
83.01392	12.7
83.05049	14.2
85.02955	13.3
87.00887	5.5
89.02446	16.3
96.96002	6.1
97.02960	14.5
97.06611	10.7
99.00891	8.0
101.02442	14.9
109.06605	39.0
111.04515	10.7
113.02457	13.0
123.04542	13.4
125.09743	20.2
135.08127	6.3
137.09715	8.2
142.02719	5.9
161.04558	10.2
161.09734	8.9
163.11342	35.3
163.76160	5.7
164.39209	5.3
165.12846	6.1
171.10292	24.2
177.09105	7.2
179.10754	19.8
181.12421	15.0
183.10258	5.9
185.11870	19.3
187.09676	6.4
191.14404	9.2
195.10309	9.1
197.11838	17.2
199.09804	12.6
205.08687	29.2
207.10301	93.0
209.11838	60.2
210.12279	7.7
211.13425	9.2
213.11311	11.1
223.09818	51.5
225.11349	46.4
227.12880	17.3
245.19075	18.2
253.09207	31.4
289.18005	40.6
291.19678	59.6
307.19162	33.1
309.20807	41.9
311.09155	10.1
461.20474	8.3
533.60968	6.0
751.41315	7.4
785.50195	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	823.3912
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	1.9
62.39936	1.3
65.00335	2.7
68.99642	12.1
69.19028	1.4
78.95893	1.3
79.95737	1.9
80.96526	15.3
81.03457	2.2
85.02945	1.8
85.06606	2.3
87.04559	1.7
94.98105	3.4
95.05024	1.7
109.06586	4.3
111.04529	30.0
113.09711	4.3
116.92847	4.7
124.20907	1.3
125.02466	2.9
133.06599	4.6
135.04495	2.9
139.04036	1.4
149.06044	1.9
151.07672	14.9
152.98639	1.4
153.05571	1.9
155.32280	1.3
158.92134	1.3
163.00357	1.3
163.38083	1.9
165.09158	4.1
174.55136	1.4
177.05611	6.9
178.99919	1.9
179.03467	4.7
179.07114	2.8
181.05147	1.8
181.08713	25.0
192.67703	1.3
195.06635	68.6
196.06967	6.2
203.03415	1.3
205.05070	8.0
205.12386	1.7
206.02191	4.0
207.06578	5.3
208.07362	3.4
209.08182	8.6
221.04568	100.0
221.08102	3.7
222.04922	6.8
223.06085	3.1
225.00783	2.8
225.07657	3.1
233.04462	5.8
234.05409	6.4
235.06023	2.6
239.05630	44.3
240.06018	3.5
247.06131	2.7
249.11420	8.1
251.05742	1.5
275.09305	8.5
277.03564	3.8
278.04279	1.5
287.09332	2.2
293.10187	3.7
301.61990	1.3
317.10352	1.6
329.06711	3.6
365.19638	4.1
391.17545	11.8
431.20724	33.4
432.20950	8.1
498.18619	2.1
499.19696	1.7
525.25134	3.9
543.26575	2.4
569.24030	30.1
570.24091	6.1
579.29199	1.8
586.28113	2.9
587.24939	23.1
588.25262	5.1
623.28668	4.5
641.30316	2.2
805.37842	3.9
806.37805	2.0
823.46118	9.0
824.44818	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	823.4697
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67525	2.8
58.42158	2.7
59.01394	20.5
61.98794	2.7
71.01378	15.4
73.02966	4.0
73.41591	2.5
83.05016	3.7
84.02386	2.2
85.02969	4.5
87.00872	2.9
89.02460	17.2
97.06599	18.9
101.02477	11.6
111.33824	2.5
111.34628	2.5
112.84751	2.4
113.02452	6.3
119.03529	3.9
123.08208	7.0
125.02436	3.6
125.09738	84.1
125.10636	5.2
126.10098	3.3
137.36165	2.9
142.67145	2.6
144.24635	2.3
161.04515	3.3
168.68320	2.8
173.46977	2.5
187.09779	40.6
255.23302	43.3
255.25771	3.6
395.68985	3.0
397.13745	4.0
452.92624	2.8
456.43411	2.8
633.32501	2.8
717.59778	3.2
823.47058	100.0
824.47607	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	825.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99278	0.3
62.93251	0.2
70.10145	0.2
72.13047	0.2
72.28448	0.3
73.86463	0.3
79.95741	1.3
83.05027	1.0
95.05032	2.0
96.96011	39.7
97.06562	0.4
97.96021	0.2
98.03725	1.0
103.75096	0.2
107.01347	0.3
109.06615	1.4
111.04531	1.4
113.06107	1.7
123.08134	0.3
124.05292	0.3
135.08116	0.4
137.09732	1.5
139.07657	2.2
145.10172	0.3
151.00352	0.7
152.62355	0.3
153.09203	1.0
155.10783	15.9
156.11113	0.8
166.26057	0.3
168.20018	0.2
170.03639	0.3
178.99825	0.6
187.14757	0.3
198.48813	0.3
199.09781	0.5
203.14325	0.5
205.15982	7.9
206.16333	0.5
214.51938	0.3
223.17068	1.8
227.68408	0.3
262.21375	0.3
267.16006	12.2
268.16406	1.5
301.03522	4.3
302.03818	0.3
303.12628	0.3
329.10632	0.8
347.11682	100.0
348.12024	10.9
422.26877	0.3
477.06781	4.2
478.07336	0.6
648.66437	0.3
692.00958	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.7
65.50167	0.5
65.65916	0.6
67.01888	0.6
69.60397	2.7
71.01385	3.0
72.99291	0.9
79.01857	0.6
83.01366	1.4
85.02953	1.1
87.00868	1.0
95.01389	1.3
96.95988	0.8
97.03001	0.6
101.02473	1.1
107.01418	4.0
108.01740	0.6
109.02988	1.2
111.00892	2.5
113.02464	1.7
121.02983	3.1
123.00898	11.5
124.01671	13.4
125.02461	28.6
126.02770	1.2
127.00403	1.1
136.98732	1.3
137.02455	1.6
138.03226	1.0
139.00400	3.8
139.04033	6.6
140.01149	2.4
151.00378	6.1
151.04109	0.9
153.01900	0.6
161.02422	1.1
165.01871	0.7
167.03531	2.0
168.00667	4.3
169.01443	31.0
169.45282	0.5
170.01740	1.0
175.03943	0.8
177.01994	1.7
179.03494	0.8
183.02979	4.4
186.24591	0.5
211.02536	0.9
225.04076	0.7
256.40305	0.6
275.01877	1.0
285.06186	0.9
297.06213	1.5
300.99945	2.4
305.06714	0.7
313.05658	8.1
314.06137	1.0
327.07202	1.8
371.09805	3.0
453.10422	100.0
454.10684	11.5
609.09351	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.5246
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98848	9.3
65.21790	6.0
69.47250	6.6
85.22727	5.8
98.22595	16.6
129.10379	15.0
133.64668	6.2
159.10057	6.3
207.15096	16.1
218.29018	5.8
224.17735	7.3
228.99110	7.8
242.18730	8.0
297.73798	6.6
337.25931	7.7
508.39774	6.8
563.58606	6.1
648.84064	6.8
706.94049	6.4
782.51697	100.0
783.52124	35.7
810.36505	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	827.168
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.9
61.98815	2.8
67.01853	0.6
67.02522	0.5
69.00980	5.4
69.03458	1.4
69.18980	0.6
71.01387	3.6
71.05017	0.6
79.01891	1.4
80.90302	0.5
81.03458	0.8
83.01400	1.4
85.02982	1.4
93.03451	0.6
95.01402	1.6
95.05049	1.0
96.96024	1.3
97.02969	3.0
98.51213	0.7
99.81976	0.8
101.02440	1.5
101.33768	0.6
107.01394	7.0
109.02947	2.3
109.06598	0.8
111.00904	1.7
111.04520	2.7
113.02451	1.3
121.02973	1.2
123.00890	5.8
123.04549	1.5
123.08144	1.1
124.01688	1.7
125.02455	70.3
126.02795	2.6
136.98773	1.0
137.02455	2.8
139.00389	2.3
139.04034	7.3
140.01184	3.1
141.01924	0.8
143.03522	2.2
149.02443	0.9
150.03246	1.1
151.00406	3.0
151.04015	1.4
153.01891	0.7
161.02466	1.4
161.11876	0.6
164.04805	0.6
165.01892	2.1
165.09219	8.9
166.09586	0.7
166.99905	1.3
167.03526	1.3
168.00647	4.2
169.01436	85.0
170.01740	3.8
175.03964	0.7
179.03502	1.1
180.04501	0.6
191.03529	1.2
191.07140	0.9
193.01447	1.9
195.06726	1.6
203.17667	0.6
207.02982	0.7
207.06792	0.6
209.08194	19.6
210.08513	1.1
211.02495	4.1
221.04543	0.6
237.04135	1.6
241.03502	0.8
258.67538	0.7
271.04648	2.0
289.07043	1.3
295.04526	3.3
298.04672	0.9
300.99866	1.1
313.05560	23.3
314.06149	1.4
316.70667	0.7
331.06876	0.6
376.45111	0.8
418.07394	2.6
418.57642	1.0
423.05991	0.9
465.06744	13.4
466.06793	1.5
494.08044	0.8
523.14917	1.5
581.33435	0.7
600.60681	0.7
675.15674	100.0
676.15906	20.3
776.28510	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.9
61.98824	1.2
68.30252	0.7
69.03439	1.4
69.20074	4.4
71.01375	2.2
71.04959	0.6
72.99338	0.9
75.08553	0.7
79.01889	1.0
81.03455	0.8
83.01376	1.6
85.02953	1.3
89.02424	0.6
93.03447	1.0
95.01406	2.3
95.05022	1.1
97.02953	3.0
101.02444	1.4
107.01396	8.4
109.02984	0.7
109.06616	0.8
111.00890	2.1
111.04531	2.3
113.02505	1.0
123.00882	4.2
123.04544	0.9
123.08173	1.0
124.01646	1.3
125.02454	64.5
126.02808	1.8
135.04494	0.9
137.02428	1.9
139.00360	1.9
139.04005	6.8
140.01204	1.6
140.04271	0.6
141.01962	0.6
143.03526	3.1
151.00391	2.9
163.20877	0.6
165.01868	1.7
165.09221	7.3
166.99890	1.2
168.00665	4.1
169.01434	78.0
170.01761	2.5
179.03510	0.9
181.01495	0.7
193.01389	0.8
195.06651	0.9
207.02956	0.8
209.08206	19.3
210.08582	1.0
211.02502	2.3
230.76051	0.7
237.04001	1.3
253.03758	0.9
259.53433	0.7
271.04709	0.8
295.04749	3.3
313.05649	23.7
314.06012	1.1
396.18616	0.8
407.55261	0.6
421.84225	0.8
433.63425	0.7
465.06708	12.9
466.07114	1.7
521.29974	0.7
523.14526	1.8
617.08124	3.7
675.15662	100.0
676.15918	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	827.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	0.8
63.80596	0.7
66.01076	0.7
69.03447	1.5
71.01374	1.8
73.02962	1.3
79.01902	2.1
85.02973	1.0
95.01398	2.1
95.05026	0.8
96.96008	1.1
97.02950	3.1
98.22619	1.6
101.02480	1.0
107.01413	6.8
109.02966	1.3
111.00891	2.0
111.04572	3.5
111.34332	0.8
121.02950	0.9
123.00885	4.7
123.04551	1.8
123.08220	1.1
124.01673	2.3
125.02457	64.7
126.02786	2.3
137.02469	2.3
139.00374	3.2
139.04007	7.6
140.01135	1.6
141.63771	0.6
143.03490	2.3
151.00372	2.7
153.01987	1.3
165.01994	1.8
165.09206	8.5
166.02676	0.9
166.09584	0.8
168.00642	4.8
169.01434	82.2
170.01785	3.1
179.03517	1.2
180.04187	0.8
181.01318	0.8
193.01450	2.0
197.24706	0.8
207.02946	0.9
208.53145	0.7
209.08189	19.9
210.08571	1.6
211.02492	4.0
233.04478	0.8
237.03992	1.0
251.09297	0.9
271.04828	1.5
295.04700	2.2
313.05667	22.9
314.06125	1.7
335.83282	0.7
465.06705	13.9
466.07114	1.8
483.07501	0.9
525.23596	1.0
617.07874	10.9
618.08313	0.9
664.78387	0.8
675.15662	100.0
676.15955	20.6
676.27362	1.2
762.70148	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98845	0.9
62.01370	0.6
64.66557	0.7
71.27956	1.1
81.03464	1.9
83.01385	5.5
89.04023	0.7
93.03485	2.2
95.01416	0.7
95.05048	1.7
96.96011	1.4
97.02969	3.6
109.02958	17.1
109.06618	1.0
110.03336	0.8
113.09745	2.0
116.92915	1.1
119.05075	0.7
121.02966	4.8
122.03748	1.1
123.04539	11.1
124.01651	0.7
124.04848	0.9
125.02458	100.0
126.02767	3.1
133.03001	3.8
135.04562	1.5
137.02454	23.7
138.02995	0.7
139.04001	3.7
145.02991	0.8
146.03726	0.6
149.02431	5.1
149.09750	1.8
150.03252	2.0
151.04030	8.2
159.04498	2.5
160.05287	1.0
161.02458	36.6
161.06116	3.0
162.03229	3.4
163.00406	1.5
163.04008	2.0
164.01125	5.1
165.01932	5.6
167.03482	1.8
168.00572	0.8
169.01427	3.5
173.06137	1.2
174.03276	1.1
175.04053	7.2
177.01955	3.9
177.05527	1.4
179.03505	4.0
180.51706	0.6
181.08723	15.0
182.09038	0.8
183.04601	1.3
185.05989	1.1
187.04045	5.8
188.04732	3.1
193.08707	12.7
201.05670	1.9
202.06438	1.6
203.03545	1.3
203.07164	8.5
204.07434	0.8
205.01404	1.2
205.05067	6.3
209.08162	1.3
209.11815	1.0
213.05650	0.8
217.05116	0.8
221.08209	1.4
225.05569	1.8
227.03473	0.9
227.07153	1.1
229.05103	2.1
231.03094	0.8
243.02985	1.9
243.06767	1.1
245.04663	3.3
245.08197	11.8
247.06044	1.0
249.14972	2.4
255.03021	4.2
256.03729	2.6
257.04434	1.4
269.04547	3.4
273.04050	2.6
281.04581	2.8
285.04144	1.0
287.05640	14.5
288.05966	1.2
289.07202	39.1
290.07462	3.1
299.05597	3.7
323.09259	0.9
339.08691	2.2
355.11993	5.3
389.61417	0.7
407.07739	25.7
408.08035	4.1
425.08810	29.3
426.09390	3.8
451.10385	8.2
452.10880	1.3
475.14200	5.0
493.15057	6.4
494.15723	1.0
503.32990	0.8
537.21423	3.9
559.12354	1.1
577.13489	22.3
578.14197	4.7
645.20123	3.4
646.19574	0.9
647.38531	0.7
827.29175	12.4
828.29443	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	827.4741
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	4.1
68.98769	9.7
68.99194	11.4
86.06714	2.3
100.04125	2.4
102.03511	2.4
109.02986	3.8
117.92768	2.9
123.00858	4.0
124.01649	2.5
126.42806	2.2
137.02460	9.6
138.03256	8.8
139.04021	4.9
146.03792	2.9
153.05594	6.5
159.04591	3.4
161.06134	2.7
171.04593	3.1
173.06078	5.3
174.03201	3.4
189.05615	3.2
199.04063	3.6
211.04161	3.6
217.05000	2.2
227.03543	13.7
229.04991	2.9
239.03621	3.4
240.04089	2.8
245.04637	9.1
255.02954	10.9
259.06061	3.0
260.06802	10.9
269.04468	2.8
270.05377	5.9
272.03311	6.8
273.04105	8.2
275.09222	3.6
287.05658	12.9
288.06427	20.3
296.06903	2.2
297.07797	6.4
303.08786	8.8
311.09518	3.9
327.12344	17.4
435.71243	2.5
673.42554	2.7
773.58875	2.3
809.46338	11.6
810.47150	5.1
827.47369	100.0
828.47540	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	827.4745
Annotation	Unknow
Peak:m/z	Relative Intensity
71.27846	2.2
90.81284	1.4
93.02612	1.4
116.32990	1.6
123.00873	3.4
124.01713	2.9
125.79433	1.5
133.24316	1.4
137.02454	3.6
138.03271	6.8
139.04001	2.1
139.93448	1.4
153.05621	4.4
173.06053	1.6
175.03990	2.3
199.04088	2.4
211.04025	3.7
227.03441	9.1
229.05074	3.7
230.96768	1.4
239.03528	2.4
245.04619	7.3
254.05682	1.7
255.03062	8.0
256.03589	2.5
259.06015	3.6
260.06897	8.7
269.10980	1.4
270.05444	4.6
272.03381	4.3
273.04135	6.8
275.09286	7.1
287.05597	8.7
288.06400	25.6
296.07022	2.1
297.07797	3.2
303.08835	8.6
311.09177	1.6
312.10233	3.3
323.05875	1.7
327.12411	8.7
392.71973	1.7
437.34491	1.7
568.94379	1.6
640.37921	2.4
655.39716	2.9
809.46320	3.4
827.47345	100.0
828.47839	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	829.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.36739	1.8
59.49561	1.7
65.61884	1.5
68.90903	1.5
69.24930	11.2
71.56925	1.5
72.74534	1.6
76.05927	1.5
83.01400	2.0
87.46178	1.9
109.02908	1.8
116.29312	1.5
121.02990	3.1
151.00337	10.2
163.00409	3.1
178.99860	6.1
227.03549	3.0
233.08197	2.6
243.03018	6.3
255.03073	13.7
260.12946	1.9
261.07562	5.3
271.02493	32.4
272.02966	4.2
273.04108	1.8
283.02505	1.8
300.02771	54.4
301.03546	45.8
302.03897	4.4
363.61752	1.9
381.12024	3.9
381.19376	1.8
447.09375	100.0
448.09772	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	829.5296
Annotation	Unknow
Peak:m/z	Relative Intensity
82.79451	0.7
83.77256	0.8
90.76257	0.6
98.21729	1.7
120.51665	0.8
159.85068	0.8
179.02686	0.9
228.96727	0.8
245.87210	0.9
269.05847	0.9
291.09073	2.7
330.85831	0.9
359.15268	2.8
371.70447	0.9
375.18634	2.7
394.03336	0.9
453.33752	100.0
454.34116	18.1
487.60831	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.5038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.7
68.59230	1.2
70.51868	1.2
70.52178	1.6
71.01384	2.4
78.95909	88.0
78.98608	1.5
79.95747	2.2
80.96518	12.8
96.96973	20.3
106.00373	1.2
106.98701	1.4
109.77848	1.4
109.82753	1.2
118.95613	1.2
122.97585	2.4
127.00114	1.4
134.98514	1.5
141.01740	3.7
152.99608	21.2
159.66745	1.4
164.98615	1.6
167.79163	1.3
223.00110	9.9
224.52193	1.2
225.00739	1.4
241.01199	37.6
241.03496	2.8
255.23308	63.8
256.23590	6.5
259.02280	1.9
277.21732	39.9
278.22092	3.5
297.03851	3.2
306.90704	1.4
391.22443	9.8
446.05942	1.4
451.37079	1.4
552.35669	1.5
553.28229	7.4
615.12744	1.6
831.50226	100.0
832.50653	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	833.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
70.05225	1.9
72.18428	2.2
96.96087	2.3
106.32327	2.0
116.92880	2.2
133.02995	2.2
140.26358	1.9
149.02533	3.0
161.02533	4.1
228.71135	2.2
239.55934	1.9
242.99428	4.7
254.99527	2.4
269.98080	17.2
270.98853	43.8
271.01590	3.7
271.99301	3.8
283.99597	5.0
285.00317	17.0
286.01141	5.9
297.97574	30.9
298.98337	85.4
299.99060	22.4
301.00009	5.7
312.99939	67.0
314.00674	100.0
315.01260	16.7
328.02246	11.2
328.99060	3.1
329.03003	60.1
330.03595	5.6
365.64700	2.3
653.11292	13.4
833.19391	66.3
834.19543	22.7
838.98553	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	833.194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	8.0
60.38578	1.3
61.98843	11.2
71.01374	5.6
71.27757	2.4
73.02934	2.1
74.83495	1.5
82.87040	1.5
83.01418	2.0
85.02917	1.8
87.00881	2.8
88.98801	3.4
89.02449	3.2
93.03414	1.4
96.96010	4.5
101.02455	3.7
109.02937	2.7
109.06591	1.6
115.69234	1.3
116.92879	3.4
119.03486	1.8
121.02964	3.8
123.04521	2.8
125.02457	2.2
133.02980	14.9
134.03650	1.8
135.04546	9.4
137.02457	2.9
139.04010	1.6
145.02881	2.5
149.06068	3.6
151.04019	3.5
161.02458	40.2
164.04790	2.5
165.01888	1.7
179.03458	2.8
207.10217	4.8
209.08270	1.8
209.11835	2.5
225.11394	1.6
257.00964	1.7
267.06305	1.9
269.98038	13.9
285.00400	8.5
297.07526	1.5
297.97565	29.7
298.97678	1.9
312.99948	57.4
314.00198	5.1
328.02267	54.4
329.02649	3.9
329.13943	3.2
343.04614	100.0
343.11685	4.7
344.04996	10.0
373.26291	1.7
387.18961	1.7
481.20905	2.6
491.19385	6.4
653.22333	11.4
833.29987	18.4
833.43311	1.6
834.30310	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	833.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	19.3
69.18062	11.0
71.01389	15.9
72.91697	1.6
72.99332	1.8
73.02934	3.0
83.01397	2.4
85.02956	6.0
87.00893	2.5
89.02460	11.9
98.22598	3.3
101.02454	11.6
109.03011	1.6
113.02466	9.1
114.54668	1.6
119.03497	4.5
125.02477	4.8
131.03506	1.6
166.80478	1.7
167.73433	1.7
169.01384	3.4
177.05504	2.0
216.40245	1.9
276.33603	1.8
289.07104	3.2
300.99994	8.7
348.59302	1.6
396.50928	1.7
419.12970	1.8
443.19247	100.0
444.19565	14.7
516.56213	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	833.4854
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.1
63.77777	1.3
71.05016	2.0
75.39739	1.3
78.95918	5.0
79.01894	1.7
80.96521	1.8
87.04530	2.4
95.05058	3.1
96.97015	1.4
97.02946	1.5
98.22540	3.6
109.06587	4.0
111.04524	11.6
113.09738	5.7
117.77577	1.2
123.08172	2.9
139.04016	5.7
165.01939	4.2
165.09230	12.3
166.02710	11.1
167.07164	2.8
179.10776	5.7
181.08717	44.2
182.09090	3.3
191.07208	2.2
205.12383	2.6
207.06686	6.9
208.07420	67.6
209.08195	100.0
210.08575	5.6
219.06656	3.1
221.08263	1.9
223.09755	2.2
233.08241	2.6
245.11873	3.0
247.09789	8.4
248.09999	1.5
255.23338	3.1
261.11160	1.9
262.12122	2.0
263.12854	15.3
264.13040	1.5
277.21686	19.2
278.22098	1.6
279.23227	2.3
280.13745	1.4
287.12891	4.4
289.14301	1.6
291.12424	2.3
330.18234	1.7
357.16949	1.8
359.18744	17.3
360.19128	4.0
361.20050	3.0
362.17462	5.5
401.16107	14.7
403.09384	1.7
413.23257	3.9
414.45270	1.4
444.21573	8.0
445.22314	7.0
553.28113	1.8
597.34576	13.9
598.34955	2.2
651.40918	2.7
833.51764	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	833.4845
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00579	1.0
59.01369	0.4
61.98568	0.3
61.98837	4.3
69.03613	1.1
69.04041	1.5
70.31749	0.3
73.02953	9.1
85.02950	0.6
92.14697	0.3
114.50375	0.3
164.04764	0.4
179.07169	0.6
215.20724	0.3
268.10983	0.6
391.30188	1.0
397.30963	0.7
399.32657	1.0
408.02939	0.3
411.32898	0.4
429.33853	1.7
473.32739	100.0
474.33078	17.3
554.08167	0.3
650.21008	0.3
674.93420	0.4
780.58057	0.4
867.64392	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.5443
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	17.2
69.25536	0.7
71.01379	2.5
74.20623	0.6
78.95906	4.2
85.02938	0.8
89.26066	0.7
91.66658	0.7
98.21822	2.3
101.02431	2.0
109.06558	0.7
111.04519	1.0
113.02459	1.0
152.99538	1.5
157.77217	0.8
165.09230	1.8
166.02744	2.0
177.62971	0.7
181.08684	6.5
182.09120	0.8
208.07422	7.2
209.08189	10.1
223.00258	0.9
223.09740	1.1
235.08212	1.3
241.01192	1.3
247.09789	1.8
253.09341	5.3
255.23352	3.0
263.12781	1.0
277.21729	100.0
278.22058	9.6
279.23248	2.8
359.18652	1.4
401.16034	1.3
597.37018	3.3
833.51050	3.2
834.52240	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
62.98565	0.2
68.67427	0.1
71.28181	0.1
71.28604	0.2
79.95728	0.2
96.96042	0.1
99.92603	0.2
192.32028	0.1
197.11725	0.1
209.11932	0.3
225.11383	0.2
270.65717	0.1
279.23175	0.2
355.49655	0.2
504.27744	0.1
750.77112	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4912
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74482	0.8
61.16128	0.8
61.98518	1.7
61.98835	31.3
71.28351	1.3
78.91885	1.6
78.95933	1.1
80.91705	1.9
80.96522	1.0
82.06627	2.6
87.05628	4.7
87.58350	0.8
96.96026	1.1
97.04075	1.0
112.07700	2.1
116.92941	0.8
129.10353	14.6
130.08730	2.3
131.05023	1.1
139.08771	2.7
140.07213	2.0
145.18965	0.9
146.06073	2.3
153.10338	1.8
155.08269	2.9
155.11913	3.2
164.09496	1.0
165.10352	10.2
169.09801	0.9
182.12979	3.3
183.11449	1.4
197.16579	3.6
200.14072	4.8
207.15092	5.6
208.36603	0.8
209.11798	1.0
224.17654	3.2
225.16035	1.3
240.17163	4.1
241.13513	1.0
241.15549	4.8
242.11803	2.4
242.18716	3.0
259.14487	2.9
268.17206	0.9
268.20331	1.5
269.16724	0.9
276.17032	1.3
295.21326	2.7
312.17078	2.3
313.22409	2.2
330.18130	1.2
337.26309	1.7
353.25516	1.6
425.27750	1.0
555.38788	1.5
657.80182	1.0
798.51410	100.0
799.51624	26.4
834.48621	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	834.4907
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	14.4
64.45541	0.6
66.03474	0.8
70.24379	1.9
71.02510	1.2
78.95884	0.8
80.05049	0.9
80.96548	0.7
82.06628	3.2
85.04097	0.6
87.05632	7.3
97.04093	1.2
98.02497	1.3
104.88522	0.6
108.02188	0.7
110.03653	0.6
111.02030	0.8
112.07735	1.6
113.03553	1.1
116.05102	1.0
118.06660	1.2
121.04086	1.6
125.02392	0.7
128.07155	0.8
129.10349	16.4
130.08791	1.4
131.05061	1.3
139.08752	4.1
140.07195	1.5
145.09866	0.7
146.06140	3.1
153.10347	1.3
155.08279	2.9
155.11859	1.7
163.08821	0.6
164.07213	0.9
164.09534	4.9
165.10300	2.4
172.07698	1.3
182.12967	1.7
182.15419	0.9
183.07777	1.0
183.11365	2.3
185.44586	0.6
197.16597	3.9
198.12430	1.1
199.08737	0.9
200.07166	1.0
200.14075	7.1
207.15025	15.5
208.15297	0.7
214.12311	1.0
223.12126	0.9
223.14450	0.7
224.17712	7.3
225.16023	4.1
241.13489	1.1
242.18745	13.0
243.19244	1.3
252.20915	0.9
258.11258	5.8
268.16763	0.7
268.20145	1.2
275.13959	4.5
295.21414	8.9
296.21747	0.8
310.25027	1.1
313.22501	5.6
314.23065	0.8
330.03253	0.6
337.26111	7.1
355.26981	3.0
365.28967	0.8
426.30844	1.4
494.37704	0.7
521.42383	0.7
539.39508	2.8
589.37701	1.0
673.38757	0.6
757.33990	0.6
798.51361	100.0
799.51709	31.6
834.49719	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	834.4904
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	21.7
71.28462	1.4
82.06625	1.5
82.49323	0.7
85.84318	0.9
86.76701	0.8
87.05637	7.8
88.04060	1.2
88.94165	0.8
97.04066	0.8
98.02489	1.4
100.45903	0.8
111.05684	0.9
112.07703	1.5
113.03576	1.0
113.07209	1.8
116.05106	0.8
121.04092	1.4
123.05669	3.7
129.10355	17.2
130.08701	1.9
139.08823	2.9
140.07201	2.3
141.06746	1.3
146.06102	0.8
153.10361	2.0
155.08281	3.0
155.11943	2.8
156.06631	1.2
164.09520	3.4
165.10339	4.2
166.08699	1.2
167.08220	1.7
176.72176	0.8
181.09837	1.2
182.12944	1.0
195.15123	1.0
197.16628	2.7
199.10892	8.5
200.14053	2.6
207.15047	10.0
216.13814	1.2
220.98874	0.8
223.11978	1.2
224.17680	7.5
225.16106	3.5
240.17133	1.5
241.13455	2.6
242.11888	2.3
242.18748	9.1
259.14441	4.2
268.20416	1.5
276.17206	1.5
295.21259	1.6
310.25262	1.0
311.21021	1.4
312.16934	1.5
337.26123	9.3
338.26395	1.1
353.25528	1.0
355.27173	4.4
442.23392	1.4
515.79156	0.9
555.38904	1.6
796.48901	2.0
798.51331	100.0
799.51617	31.2
834.48840	3.7
835.49701	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	834.4913
Annotation	Unknow
Peak:m/z	Relative Intensity
59.99760	2.2
61.98833	11.6
63.95751	2.4
69.21393	13.5
73.04041	3.0
129.10332	20.2
139.08809	4.2
140.07211	4.0
151.08768	5.0
155.08279	7.6
158.50017	2.3
164.09572	3.1
168.11452	4.3
169.09888	2.5
169.54100	2.3
186.12457	4.5
197.16606	5.1
207.15028	16.1
224.17630	7.6
225.16006	3.1
241.13536	3.8
242.18785	13.6
259.14545	3.4
281.19949	5.4
299.20911	6.0
300.90164	2.7
333.19525	3.2
337.26169	7.4
355.26959	4.9
525.38116	2.9
768.50354	100.0
769.50446	24.4
796.49457	4.4
798.50995	9.8
834.48926	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	835.398
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00584	2.8
59.01381	26.2
61.98833	34.5
69.03474	2.6
69.11501	9.8
69.11904	3.4
71.01385	100.0
72.01730	1.9
72.99297	2.6
73.02944	5.9
79.47453	1.6
81.03465	2.1
83.01398	3.6
83.05042	5.0
84.82066	1.6
85.02952	6.3
87.00883	5.7
89.02441	17.4
93.03455	1.8
95.01396	3.0
96.96038	10.4
97.02969	5.2
98.21765	3.1
99.00926	2.3
99.92622	2.6
101.02444	12.4
103.50468	1.5
109.06617	2.8
111.04577	2.0
113.02460	13.5
116.92885	10.5
119.03530	3.4
121.02995	2.1
123.04562	2.5
125.02469	10.2
127.11291	1.9
135.04538	1.8
137.02457	2.4
143.03493	2.7
145.07785	1.7
149.06219	1.7
149.09647	2.1
155.10762	3.3
161.04550	2.9
163.11342	6.6
165.05551	2.3
165.12674	2.1
167.10838	1.9
171.10269	18.9
179.05701	4.2
181.12308	2.9
183.13914	5.0
185.11862	3.6
193.12279	2.0
199.13405	11.5
201.11362	16.3
207.10291	11.4
209.11832	54.5
210.12178	5.1
211.13403	43.4
212.13818	3.4
215.12854	1.8
224.80925	1.6
225.11334	21.5
227.12936	24.0
229.14392	2.1
235.08063	2.1
235.13426	3.1
243.12555	2.7
247.13326	2.0
253.09180	2.1
271.10001	2.0
272.14557	1.7
287.09488	1.6
300.99863	1.6
356.51086	2.0
379.12274	3.7
397.13470	25.6
398.13693	2.2
415.14441	7.9
419.24536	3.7
607.26294	3.0
623.25629	3.0
741.87964	1.9
799.37231	3.0
817.38300	6.4
818.38550	2.5
835.40216	9.3
836.39716	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	835.3977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	9.1
61.98825	0.8
69.03362	3.0
71.01382	8.3
72.99306	0.7
73.02941	1.4
74.66544	0.3
80.02683	1.0
81.03454	1.8
83.01373	1.1
83.05029	5.5
84.02157	1.1
85.02972	1.8
87.00864	2.1
89.02448	7.3
91.07595	0.3
93.03463	0.4
94.48368	0.3
95.01385	0.7
95.05028	0.6
97.02967	1.6
98.21815	0.7
99.00870	0.4
101.02445	6.3
106.55009	0.3
111.00906	0.5
113.02459	3.1
113.03198	0.5
114.20578	0.3
119.03521	1.9
121.02958	0.4
125.02467	3.5
135.08125	0.7
139.04004	1.4
143.03482	1.1
143.37350	0.3
161.04628	2.0
163.11302	4.1
164.11568	0.5
165.12843	2.9
167.03508	0.6
171.10208	1.5
179.05627	2.3
181.12320	0.8
191.10765	1.1
193.01425	0.5
197.55095	0.3
199.13438	0.4
209.11836	100.0
210.12169	8.2
221.06699	0.7
221.11790	0.4
227.12888	15.1
228.13213	1.3
235.08214	2.8
239.29443	0.4
247.13535	0.9
251.12823	0.4
253.09273	0.4
265.14511	0.8
272.08826	0.4
287.07767	0.7
299.05573	0.6
305.08853	0.8
317.06677	1.4
323.09851	0.6
379.12283	2.7
397.13525	17.9
398.13748	1.8
415.14590	5.5
416.14819	0.4
589.24799	0.5
607.26227	0.9
799.36963	0.7
835.38989	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01094	0.6
59.01382	10.5
61.98835	0.7
65.25340	0.3
69.03450	0.5
71.01382	7.6
72.99296	0.5
73.02959	1.3
80.02676	1.1
81.03461	2.0
83.01377	1.0
83.05030	5.0
84.02166	1.0
84.05376	0.3
85.02956	1.8
87.00878	1.9
89.02452	7.5
93.03443	0.4
95.01400	1.1
95.05032	0.7
97.02343	0.3
97.02956	0.9
99.00883	0.5
101.02444	5.9
101.03121	0.4
101.08079	0.3
108.02184	0.3
109.02982	0.5
111.00938	0.3
111.04543	0.5
111.08183	0.3
113.02455	4.0
116.92818	0.4
119.03516	2.1
123.04610	0.3
125.02456	3.1
125.06065	0.6
130.07603	0.3
131.03513	0.3
135.08177	0.8
137.02464	0.5
139.04024	0.8
143.03506	1.2
159.06406	0.3
161.04605	2.1
163.11288	4.1
165.12859	2.5
167.03534	0.8
171.10251	1.1
179.05649	2.2
181.12379	0.6
185.04575	0.3
191.10779	1.0
193.01509	0.3
199.13416	0.4
209.11836	100.0
210.12163	7.1
217.06978	0.3
221.06694	0.9
227.12892	14.5
228.13214	0.7
235.08214	2.7
247.13348	1.3
251.12781	0.3
253.09219	0.3
265.14713	0.4
269.13959	0.3
281.91763	0.3
287.07721	0.9
289.07114	0.3
299.05658	0.3
299.99115	0.3
305.08844	0.8
317.06659	0.9
323.09616	0.4
379.12601	2.0
396.85178	0.3
397.13519	17.0
398.13876	1.7
415.14581	5.8
416.15216	0.4
437.25232	0.3
607.25909	0.9
722.26038	0.3
799.37524	0.9
836.34967	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.5166
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
62.98546	0.3
65.99095	0.1
80.96529	0.5
85.44708	0.1
92.84993	0.1
128.94637	0.2
169.82883	0.1
250.92426	0.1
277.21881	0.1
278.21826	0.2
279.22473	0.2
419.37573	0.1
745.57196	0.2
837.48431	0.3
862.44049	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.3
67.01896	2.2
69.03455	2.1
71.01375	3.0
81.03473	1.5
88.15699	1.0
88.98788	1.2
95.01410	3.0
97.02956	2.6
105.03417	1.5
107.01396	18.5
109.02962	1.2
111.00871	4.4
111.04527	1.4
120.83611	1.0
120.99645	1.0
121.02988	1.5
123.00909	6.4
123.04532	2.0
124.01687	2.3
125.02457	82.4
126.02802	3.1
127.00395	1.3
129.77989	1.0
136.98804	1.8
137.02441	3.2
139.00366	4.5
140.01154	4.0
149.02444	4.2
151.00377	2.3
153.01904	1.7
161.02425	4.1
163.04022	2.5
165.01888	1.8
165.05504	1.1
166.99844	1.5
167.03497	2.2
168.00658	12.8
169.01440	100.0
170.01779	4.7
171.10329	1.8
175.00340	5.7
179.03484	1.6
183.03011	1.9
191.03540	1.8
193.01431	6.1
203.03503	1.5
204.04268	1.3
205.01501	1.8
207.03017	2.5
211.02486	47.0
212.02806	2.1
215.03503	2.7
217.04970	2.0
218.05823	6.2
219.06604	18.7
231.06618	4.4
233.08192	41.2
234.08476	2.5
235.02440	4.3
241.03554	9.2
241.08607	1.6
243.06595	32.1
244.07027	2.5
245.08182	3.1
247.06117	2.4
257.04620	2.1
257.08270	2.9
259.06052	3.3
259.56989	1.1
261.07690	55.8
262.08020	4.2
264.06445	1.6
271.04541	25.2
272.05054	1.4
273.07684	13.5
274.08203	1.4
285.07666	3.7
287.09207	1.7
291.08749	18.0
292.09042	1.0
303.08725	2.8
327.08792	4.9
345.09680	1.3
363.10760	1.4
381.11945	15.4
425.08905	1.9
447.05661	4.2
497.10883	3.1
515.11957	39.1
516.12085	6.7
533.13049	50.3
534.13214	5.6
617.07813	1.4
667.13116	37.0
668.13538	7.1
685.14105	72.2
686.14490	16.1
783.18329	1.2
837.15118	11.1
838.14862	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	837.4587
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	17.5
61.98830	2.2
64.72227	1.4
76.77901	1.4
76.85820	1.4
108.02184	23.2
117.04530	1.5
123.04538	14.1
133.02998	10.7
145.02960	13.2
159.04544	2.1
160.01683	4.4
161.02460	8.7
171.04489	9.5
175.04025	8.7
186.03247	1.8
189.05647	3.5
209.06065	3.2
223.07733	4.2
224.04794	2.6
239.03484	3.4
245.05983	1.4
249.05449	3.9
250.06296	1.8
251.07130	6.5
252.04305	5.7
261.05576	4.8
262.06299	5.0
263.07205	2.5
267.06754	3.0
278.05859	7.4
279.06689	20.2
280.07309	5.7
288.82217	1.5
293.08197	8.4
294.08945	6.5
295.09726	2.3
306.05353	4.3
321.07831	2.3
437.34161	3.7
616.38037	3.8
631.40106	11.8
632.40192	2.3
641.38757	7.1
653.38416	7.4
777.43683	100.0
778.43958	33.9
837.45813	81.5
838.45941	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.4588
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	17.0
60.61127	0.6
61.98804	1.4
69.29573	4.1
78.95862	0.7
86.32713	0.7
91.62137	0.7
105.03410	1.1
108.02182	25.7
123.03674	0.6
123.04525	10.6
133.02972	5.8
134.03651	0.9
142.04179	1.1
143.04929	2.1
145.02962	13.0
146.03688	1.1
159.04506	3.6
160.01605	2.2
161.02466	7.8
163.03899	0.7
170.03651	0.9
171.04536	5.4
172.05109	0.8
173.02373	0.8
174.03256	0.7
175.03978	4.6
184.99480	0.6
185.02364	0.8
187.04004	1.5
189.05591	4.1
196.05367	0.7
203.03497	1.6
209.06020	0.8
211.03931	1.0
215.03403	2.6
222.06970	0.8
223.07594	2.9
224.04677	2.6
233.05939	1.4
235.07581	1.6
237.05481	1.6
239.03531	3.9
249.05377	1.6
250.06206	2.4
251.07060	5.6
252.04158	3.6
252.07761	0.8
261.05493	4.7
262.06247	3.1
263.07053	1.5
265.04898	0.7
267.06577	2.4
277.04956	2.0
278.05774	5.5
279.06601	16.6
280.07388	5.4
281.08023	1.2
293.08157	3.7
294.08951	3.9
295.09744	5.0
305.04526	1.6
306.05267	2.4
307.05988	1.3
310.07962	0.7
321.07559	2.6
322.08322	1.3
323.09158	1.0
324.05759	0.8
372.76819	0.8
437.34290	3.3
540.74731	0.7
581.36243	1.7
582.60468	0.7
616.37665	1.9
631.39923	6.7
632.40436	1.3
641.38556	4.9
653.38483	5.3
654.39172	1.1
762.41577	1.6
765.43219	1.5
777.43750	100.0
778.32422	1.0
778.44019	32.6
837.45819	73.7
838.46271	24.7
851.18268	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.4831
Annotation	Unknow
Peak:m/z	Relative Intensity
58.63860	0.5
59.01373	0.8
61.98827	2.7
63.96240	2.1
68.57871	0.7
69.03490	0.6
71.01382	9.5
73.02953	1.6
75.57565	0.5
78.98596	7.4
79.95741	15.7
80.96521	93.3
85.02946	3.9
87.00874	4.1
94.98093	22.3
95.01382	0.7
96.48745	0.6
96.96025	2.2
97.02967	2.4
98.22520	1.8
101.02445	2.6
106.98093	3.0
122.97620	4.0
125.02425	3.3
127.03986	1.2
134.97580	6.4
136.99162	1.4
148.99135	7.4
151.64476	0.7
152.98619	5.9
159.54805	0.6
164.98634	12.4
165.00020	0.6
170.50768	0.6
181.08679	0.6
206.99670	2.6
225.00729	16.1
226.01082	0.7
256.62234	0.5
256.99734	0.6
277.21707	2.0
302.09680	0.5
519.44446	0.8
559.25702	3.7
686.24921	0.6
722.99860	0.7
837.48267	100.0
838.48590	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	839.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
80.91619	0.4
83.53096	0.3
96.62256	0.4
117.03468	0.5
121.03028	0.4
125.02464	2.2
129.03448	0.6
145.02979	1.2
157.03014	0.9
161.02405	0.8
163.03972	0.7
169.01448	1.2
173.02429	2.2
185.02451	1.8
200.01086	0.4
201.01915	1.9
206.32458	0.3
211.02470	0.5
217.01472	0.5
226.99826	0.6
229.01431	3.7
245.00839	1.2
257.00873	1.3
258.01111	0.4
271.04614	0.6
273.00385	0.4
283.99670	2.9
299.04193	0.4
299.99161	2.7
300.99911	100.0
302.00244	8.0
436.37698	0.4
483.51779	0.4
541.06342	0.4
835.48376	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	12.8
63.03449	1.7
63.96249	2.4
68.77549	1.5
69.19187	5.8
69.19590	3.8
69.96744	1.6
71.01386	9.8
78.98598	7.8
79.95738	17.9
80.96521	87.4
85.02950	2.3
87.00892	4.5
94.98095	21.3
97.02953	2.0
101.02436	2.2
106.98117	3.6
108.75240	1.6
122.97615	3.6
125.02499	2.5
134.97647	6.0
136.99213	1.7
148.99146	5.1
152.98671	6.0
164.98645	10.2
206.99689	2.1
225.00786	13.2
406.49594	1.6
603.25714	2.7
610.28027	1.6
839.49860	100.0
840.50171	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02956	0.4
77.01296	0.2
99.00851	0.2
99.92592	12.2
100.92599	0.7
114.93446	0.5
116.92870	100.0
117.01938	0.8
117.92878	5.4
127.77200	0.2
139.28380	0.2
181.08800	0.2
184.10252	0.2
204.61504	0.2
355.11725	0.2
413.19846	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02956	0.4
77.01296	0.2
99.00851	0.2
99.92592	12.2
100.92599	0.7
114.93446	0.5
116.92870	100.0
117.01938	0.8
117.92878	5.4
127.77200	0.2
139.28380	0.2
181.08800	0.2
184.10252	0.2
204.61504	0.2
355.11725	0.2
413.19846	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.488
Annotation	Unknow
Peak:m/z	Relative Intensity
65.62429	35.7
66.36567	40.9
79.60166	37.4
84.68050	41.4
91.18954	37.3
98.21763	100.0
106.17233	36.6
138.67641	37.6
179.21750	39.9
181.08760	63.7
195.06606	71.2
209.08247	65.9
231.74428	43.9
277.21664	71.0
298.29749	44.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	0.3
69.03458	1.4
70.23951	0.6
70.24323	0.5
79.01879	0.4
81.03474	0.8
83.01424	0.7
95.01382	0.6
95.05032	0.6
96.96033	0.4
97.02959	1.3
105.03475	0.6
107.01408	0.6
109.02985	0.6
123.00917	0.8
123.04524	0.3
124.01701	0.5
125.02457	65.4
126.02779	2.4
137.02448	2.3
139.04019	1.2
149.02414	0.4
151.03981	0.5
153.23044	0.3
154.87776	0.3
161.02458	4.4
162.03020	0.4
163.00290	0.3
165.01978	1.2
166.99916	0.4
167.03526	2.4
169.01434	100.0
170.01755	4.1
177.01929	1.4
177.05553	0.3
179.03519	1.0
193.01534	1.5
203.03571	0.5
219.06604	1.2
221.04607	0.5
261.07565	0.4
269.04568	0.9
275.02133	0.3
287.05615	2.0
300.99753	0.8
305.06656	5.3
306.07056	0.5
319.04297	0.4
331.04425	1.4
387.16544	0.8
457.07779	11.1
457.14215	0.5
458.08124	1.1
535.97168	0.3
559.94012	0.3
831.17206	0.4
835.97015	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.255
Annotation	Unknow
Peak:m/z	Relative Intensity
61.49747	0.2
69.03442	0.5
69.46557	0.6
69.46964	0.5
72.49825	0.2
73.43142	0.2
75.58840	0.2
79.55491	0.2
79.95739	1.7
83.05029	1.0
95.05051	2.6
96.05363	0.3
96.96014	48.4
97.06601	0.6
98.03749	1.2
109.06620	1.6
111.04536	1.2
113.06104	1.7
122.97544	0.2
123.08174	0.3
124.05275	0.4
125.02441	1.3
127.07676	0.3
135.08145	0.4
137.09743	1.6
138.06870	0.4
139.07668	2.5
145.10251	0.5
153.09192	1.5
155.10789	16.9
156.11098	1.1
161.02415	0.2
167.03406	0.2
169.01433	0.7
177.01942	0.3
187.14978	0.5
199.09785	1.0
203.14441	0.7
205.15982	9.7
206.16446	1.0
223.17044	1.8
243.02885	0.3
249.14899	0.3
267.16010	13.8
268.16312	1.1
275.01917	0.3
300.99976	0.5
303.12802	0.6
329.10602	0.7
347.11707	100.0
348.12039	9.3
497.13040	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	15.8
67.76916	0.3
71.01386	9.5
72.99272	0.6
75.00864	0.4
83.01403	0.5
85.02945	1.4
89.01890	0.4
89.02449	7.5
91.32428	0.4
95.01407	0.9
101.02445	6.3
113.02447	3.2
119.03511	3.0
121.02928	0.4
125.02435	0.6
136.13373	0.3
149.04599	0.4
169.01331	0.5
209.04350	0.4
232.97466	0.4
439.32196	4.0
440.32437	0.6
441.33514	2.0
467.32281	0.4
485.32831	1.9
603.55902	0.4
647.38019	100.0
648.38367	23.3
648.49457	0.9
650.22314	0.4
745.89154	0.4
845.40784	3.8
846.40845	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.5143
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
62.98537	0.2
69.12273	1.4
129.10365	0.6
137.02504	1.3
165.10338	0.2
194.45901	0.2
207.14946	0.4
224.17683	0.2
236.53235	0.2
241.13573	0.3
242.18829	0.3
303.01956	0.2
310.43689	0.2
312.75620	0.2
337.26645	0.2
519.49420	0.2
541.63397	0.2
582.84906	0.2
599.94952	0.2
782.51819	4.0
783.52197	1.2
853.07813	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
71.28748	1.3
73.09094	1.1
77.13544	1.2
79.95734	8.7
80.96523	4.9
96.96018	100.0
107.04918	1.2
109.02955	1.5
113.09140	1.2
121.02950	1.3
123.04515	1.2
124.01628	1.7
125.02437	13.0
127.04047	1.8
136.99146	5.1
137.02458	2.3
138.97069	7.0
151.03992	1.9
152.01184	2.1
156.09964	1.4
161.02457	2.5
164.98637	3.7
167.03499	5.5
169.01379	5.2
175.03938	1.7
177.01935	4.6
183.11160	1.5
189.45193	1.2
196.19753	1.4
225.00764	47.3
226.00990	1.8
243.02960	1.6
249.04233	1.6
275.02094	1.9
275.85626	1.3
300.99969	6.6
305.06525	1.5
381.55130	1.3
384.94931	1.6
393.05002	79.9
394.05496	6.9
453.10611	1.7
454.40234	1.4
861.52734	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.9
67.63286	0.4
69.10054	3.2
71.01389	5.6
72.99300	0.6
75.00861	1.7
77.03973	0.7
79.01878	0.4
85.02952	7.0
87.00896	1.1
89.02452	0.8
93.03455	2.2
95.01368	1.9
98.21778	0.9
99.00874	3.1
101.02429	0.5
103.00377	1.5
105.03468	0.7
113.02454	11.0
115.00395	0.9
116.46788	0.4
117.01932	1.3
121.02958	1.8
123.04517	1.9
125.02409	0.7
129.01945	0.6
133.02962	0.7
149.02422	0.5
152.04250	0.4
156.05768	0.6
159.04541	0.9
161.02432	0.5
165.01936	1.2
165.09222	0.5
171.08186	0.9
175.02480	4.5
177.01965	2.0
181.06607	0.5
183.08138	0.7
184.05344	0.4
187.03964	0.4
199.07649	1.3
201.05531	0.6
209.08185	3.4
225.05547	1.7
225.07544	0.4
227.07048	1.2
240.04153	0.7
241.05070	1.7
243.03011	0.5
243.04118	0.5
243.06548	4.4
244.06935	0.4
253.05118	0.7
255.06604	0.8
269.04504	1.1
271.06116	2.2
281.04700	1.0
299.05618	100.0
300.05960	9.1
371.13571	0.9
374.52103	0.5
475.08817	42.5
476.09302	5.0
636.74158	0.4
764.37115	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
68.98936	14.5
71.01368	2.4
79.95750	7.4
80.96519	30.5
81.03467	2.4
87.00945	2.1
94.98112	6.4
99.71175	1.6
106.98090	1.7
109.06598	5.1
111.04508	12.1
113.06057	1.9
119.06874	1.7
122.97642	1.9
123.08202	3.0
125.02493	4.5
139.04079	3.0
148.99101	2.8
151.07657	22.8
152.98633	3.2
164.98615	3.6
165.09267	7.7
177.05603	2.8
179.07172	2.4
181.08817	8.3
195.06630	100.0
196.06979	4.7
205.04994	2.3
207.06647	3.9
208.07393	3.2
209.08211	39.8
210.08649	2.3
216.85980	1.6
219.06653	11.1
221.08168	5.6
225.00693	8.3
225.89938	1.7
233.04622	9.3
234.05283	2.9
235.06123	5.4
247.06194	21.8
248.06848	5.7
249.07729	5.9
249.11368	7.4
255.23164	1.5
259.09738	2.1
261.07666	7.1
263.09152	3.5
275.09344	7.7
287.09283	2.4
289.07407	1.8
303.08752	2.8
308.30035	1.8
314.07999	2.1
330.07718	4.4
343.15781	2.1
344.08954	2.2
357.13345	3.3
371.14966	3.1
385.12939	10.8
387.14417	3.3
399.14319	2.2
401.12433	19.7
402.13187	4.7
411.17984	2.8
415.14008	40.5
416.14441	6.0
431.20837	13.9
432.21466	3.1
443.13480	40.2
444.13828	6.1
455.17157	2.6
497.18311	4.0
542.21393	2.0
567.22180	12.4
577.20996	3.0
611.20685	4.0
847.34875	6.0
847.48364	20.2
848.48755	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	849.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.5
59.38035	0.5
61.65958	0.3
66.98265	0.4
76.33203	0.4
108.02106	0.3
125.02464	0.6
130.00676	0.7
155.10802	0.5
158.00134	0.6
169.01427	0.5
175.93159	0.4
185.99620	0.7
197.99626	0.9
199.09763	0.4
241.98521	1.1
254.99385	1.1
257.00909	1.4
269.98068	13.9
270.98407	1.0
282.98886	0.5
285.00418	10.1
286.00842	0.8
297.97562	36.7
298.97873	2.3
299.01727	0.7
312.99921	65.3
314.00262	6.2
327.01593	0.6
328.02246	62.7
329.02554	6.0
343.04602	100.0
344.04913	9.9
344.08582	0.5
800.12555	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	8.0
59.56746	0.4
67.01881	0.7
68.99806	1.1
69.03450	1.2
71.01019	0.4
71.01388	10.7
71.05012	1.8
72.99304	2.6
73.02952	1.2
75.00877	11.8
77.03979	0.5
79.01881	0.8
81.03455	0.8
83.01379	1.2
85.02956	12.5
86.03304	0.5
87.00872	3.2
89.02454	2.6
91.04023	0.5
93.03436	0.9
95.01379	3.8
96.96036	0.7
97.02959	1.3
99.00885	6.5
101.02457	0.6
102.98598	0.8
103.00364	1.5
108.02197	0.6
109.02945	1.2
111.00877	1.2
113.02461	13.1
114.02798	0.5
115.00410	1.0
117.01933	2.1
118.06789	0.5
121.02962	60.3
122.03288	2.0
123.04529	1.6
125.02468	0.8
129.01974	1.0
135.04515	0.5
137.02434	0.9
138.03217	0.6
139.04024	15.3
140.04321	0.6
149.02446	1.1
151.00369	1.1
151.04002	0.9
157.01453	0.7
163.04050	0.7
164.01169	1.3
164.04843	0.7
165.01923	6.5
166.02661	1.0
167.03517	4.7
169.05200	0.5
175.02478	1.6
175.04031	1.3
177.00548	0.6
177.01900	2.9
178.99907	1.5
189.01895	1.0
189.03986	0.9
191.03540	0.8
193.01428	5.3
195.02982	2.0
199.04063	0.6
209.04555	0.5
213.05542	0.9
231.04971	2.8
248.06680	0.5
249.06160	36.4
250.06544	1.7
255.06631	0.9
271.02505	1.9
283.04947	0.6
289.07208	3.7
293.10883	0.5
299.01974	3.5
299.05624	7.7
300.05865	0.7
300.99930	0.7
313.07208	0.6
316.01987	2.3
317.06662	38.0
318.07095	3.1
353.08832	1.4
355.06607	2.0
355.17712	0.5
357.08478	0.6
371.09836	100.0
372.10187	9.0
425.47330	0.5
461.10812	0.6
479.07425	4.8
554.24146	0.5
621.46063	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.3931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	18.4
61.98835	3.8
68.98929	6.4
68.99335	2.2
69.03445	1.8
71.01388	59.8
72.99315	3.0
73.02950	7.8
80.02651	1.2
81.03468	2.6
83.01400	1.3
83.05038	8.8
84.02168	1.6
85.02969	8.7
87.00867	5.6
87.04499	1.0
87.74363	0.9
89.02451	15.0
93.03473	1.6
95.01416	3.3
95.05038	3.1
97.02941	3.9
97.06560	1.1
99.00872	2.7
101.02451	14.5
102.02785	0.9
104.47736	1.1
109.02905	1.0
109.06585	4.5
109.44247	0.8
110.03756	1.1
111.00928	0.9
111.04549	1.2
113.02462	9.6
113.23167	0.8
116.92821	0.9
119.03501	4.7
123.00896	0.9
124.01593	1.0
125.02467	7.8
125.06116	1.0
125.09716	3.3
127.11277	3.5
135.04539	1.0
135.08099	1.4
137.02460	1.8
139.07690	2.2
139.11281	0.8
141.01956	1.3
142.33382	0.9
143.03523	2.2
151.04045	1.0
155.10794	3.1
161.02434	1.0
161.04532	3.2
163.11325	10.4
164.04787	1.3
165.12842	2.3
167.10794	1.2
169.01526	1.2
171.10280	37.0
172.10634	2.0
179.05659	5.5
179.07106	1.6
181.12381	3.7
185.11809	2.1
189.09195	1.1
191.10706	1.2
197.11803	2.7
201.11334	23.1
202.11620	1.2
203.05690	1.2
207.10269	14.3
208.10693	1.0
209.11842	100.0
210.12158	7.7
215.12868	3.5
221.06677	2.4
223.13382	1.3
225.11330	30.4
226.11702	2.1
227.12926	14.8
235.08228	4.0
243.12402	3.7
251.12975	1.2
287.07645	1.1
305.08655	1.4
343.30276	0.9
379.12558	5.0
397.13531	31.4
398.13855	3.5
400.76053	1.0
415.14630	11.1
439.14355	1.5
462.31924	1.1
589.26245	1.0
605.24194	1.8
623.25647	4.2
658.01270	1.0
815.36798	3.0
833.37646	4.0
834.37634	2.6
851.39697	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	852.4393
Annotation	Unknow
Peak:m/z	Relative Intensity
61.76048	0.4
71.01391	7.0
72.99294	0.7
83.01374	0.7
85.02962	1.5
86.30981	0.5
89.02443	5.9
95.01411	0.6
101.02454	4.6
113.02454	2.3
119.03524	2.8
122.32733	0.4
125.02414	0.7
439.32193	2.3
440.32669	0.7
441.34052	1.4
527.33789	3.7
528.33887	0.6
647.38013	100.0
648.38354	22.3
648.49323	0.8
652.35010	0.5
852.44067	2.7
853.43109	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4184
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	0.8
69.03444	1.1
71.01381	5.0
84.68690	0.9
85.02935	1.6
86.38489	0.6
89.02456	4.0
101.02433	4.5
101.17490	0.7
108.02163	1.4
109.02939	1.0
113.02431	1.4
120.99671	1.0
123.04577	1.0
125.02465	2.1
137.02411	1.1
139.04033	1.0
139.88570	0.7
145.02983	0.7
149.02515	0.7
152.01215	1.7
153.01962	0.6
166.26425	0.6
167.03441	0.7
169.01430	1.0
289.07297	1.4
399.32706	1.6
425.30518	0.9
441.30264	3.3
443.31686	2.7
466.10968	1.3
487.30756	12.1
488.31076	2.6
529.31805	9.8
530.32159	1.7
649.35931	100.0
650.36322	20.8
674.13220	0.9
854.26929	1.2
854.41888	1.6
855.27686	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
62.56897	0.4
63.23649	0.4
67.01894	0.8
69.03452	0.8
69.08404	3.5
71.01376	2.7
72.99295	0.9
73.02932	0.5
75.00880	0.7
79.01869	0.6
83.01381	0.9
85.02944	1.1
87.00887	0.5
92.81400	0.5
95.01412	0.8
97.02951	0.6
98.28104	0.4
99.00897	1.0
101.01297	0.5
101.02438	1.1
102.09914	0.5
107.01398	4.2
109.02978	0.4
110.00047	0.8
111.00883	3.3
113.02449	1.6
121.02979	4.0
123.00894	5.7
124.01759	1.1
125.02459	21.2
127.00381	1.9
136.98820	1.5
137.02441	0.6
139.00389	14.3
139.04015	1.0
140.01183	7.6
141.01955	1.3
151.00352	4.7
153.01973	1.5
154.02734	10.4
155.03494	2.1
167.03503	0.9
168.00652	8.7
169.01434	29.0
169.05070	2.1
170.01736	1.1
177.01993	0.6
183.02995	3.3
191.03468	0.5
192.20395	0.4
211.02513	0.6
217.36610	0.5
223.02470	0.5
249.06131	2.9
285.06329	0.7
297.06290	2.6
300.99884	0.5
304.28259	0.5
307.26309	0.6
313.05670	7.7
327.07288	1.5
371.09787	5.6
468.09329	0.8
483.11453	100.0
484.04669	0.7
484.11783	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	855.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
60.02173	0.4
65.00341	0.5
69.15845	3.0
71.01379	2.5
72.99287	0.6
73.02935	0.5
75.00887	0.8
83.01396	1.0
85.02960	1.7
87.00863	0.5
87.77964	0.5
95.01386	1.5
99.00867	0.9
101.02425	0.7
107.01395	5.4
109.02936	0.6
110.00104	0.9
111.00897	3.0
113.02464	1.9
121.02974	3.9
123.00886	7.8
124.01684	0.9
125.02462	20.9
126.02782	1.1
136.98830	1.6
137.02460	1.3
138.99332	0.8
139.00392	16.2
139.04016	1.9
140.01175	8.5
141.01898	1.5
151.00377	4.6
151.03970	0.8
153.01962	2.5
154.02718	9.3
155.03525	3.2
165.01909	1.2
167.03532	1.0
168.00620	4.2
169.01439	23.8
169.05092	3.7
170.01804	0.7
175.03976	0.5
177.01926	1.3
182.02129	0.7
183.02982	7.1
183.04507	0.6
197.04550	0.6
211.02399	0.9
225.04068	1.5
249.06143	0.7
285.06195	1.4
297.06250	0.8
301.00034	1.0
313.05673	5.1
327.07257	2.6
371.09818	5.7
460.03143	0.5
483.11472	100.0
484.11850	12.9
875.81439	0.6
887.14868	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.4327
Annotation	Unknow
Peak:m/z	Relative Intensity
63.38719	0.7
69.35255	3.0
92.60820	0.5
98.22498	1.0
144.07643	0.6
174.54716	0.5
188.36580	0.5
207.10268	2.2
235.08282	0.6
270.05423	0.9
277.21686	4.3
285.07666	1.1
298.04837	0.7
311.05679	1.6
351.12424	1.8
354.11212	0.8
355.11942	0.9
369.13425	60.7
370.13849	6.8
427.21255	100.0
428.21616	12.2
528.34857	0.6
601.53729	0.7
703.40601	0.7
721.41815	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.4695
Annotation	Unknow
Peak:m/z	Relative Intensity
64.54786	2.5
68.27159	2.8
70.84792	3.8
101.87144	2.5
108.02190	4.5
117.03499	5.1
117.94888	2.7
119.05012	9.9
129.03453	11.9
131.05009	3.4
136.01666	47.3
137.02516	3.4
141.64738	2.7
145.02959	18.2
146.03752	11.3
147.04538	60.5
149.02496	18.4
150.03239	100.0
151.04057	14.1
158.03781	3.7
159.04514	9.7
161.02509	3.6
165.05583	46.6
166.05943	3.7
173.02464	11.1
174.03212	8.6
175.04024	38.6
187.03978	3.4
437.34085	9.8
442.72830	2.9
617.38220	3.8
629.38470	96.2
630.38708	23.5
631.40137	24.2
632.40320	7.4
643.40070	6.0
795.29785	4.1
795.44830	52.7
796.44513	18.9
855.47064	60.4
856.46765	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	857.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00323	8.2
71.28599	0.9
77.42225	0.6
89.00324	1.4
91.01913	2.1
93.03451	2.9
97.02948	6.9
98.91933	0.7
108.96280	0.7
109.02976	0.9
121.02971	18.4
125.02471	3.5
137.02438	1.0
139.04004	2.7
149.02455	5.1
149.99577	1.6
165.01945	48.7
166.02278	1.7
167.03499	1.0
169.01384	1.2
177.01836	0.8
183.02977	2.3
191.89415	0.7
193.01440	20.9
194.01726	1.2
227.03473	1.0
243.02959	1.6
244.03769	0.8
255.03122	1.8
256.03815	1.5
259.06152	1.0
271.02661	1.7
272.03259	4.2
287.05588	1.5
300.02768	2.9
300.99860	1.2
315.05115	66.2
316.05362	5.9
377.75046	0.6
395.00790	100.0
396.01062	10.6
471.81448	0.7
490.05997	0.7
528.59985	0.7
603.99023	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.4122
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03468	3.1
83.01403	2.0
109.02933	3.1
109.06590	1.8
111.04537	5.3
113.09721	1.4
125.02467	4.4
125.06129	1.4
133.06590	1.7
135.00919	1.8
137.02452	13.4
151.07661	27.7
152.08011	1.6
163.00447	2.3
179.07185	3.5
181.08711	4.7
181.48116	1.6
189.05594	5.6
195.06641	100.0
196.06940	4.4
202.31430	1.6
207.06650	83.3
208.07057	6.5
209.08174	3.5
249.11401	9.5
261.11328	2.9
267.27380	1.4
285.07745	3.1
355.11853	26.5
355.15839	2.4
356.12036	2.0
367.11917	22.1
368.12247	2.1
413.19696	40.1
414.20166	4.9
425.19702	19.0
426.20096	3.3
431.20724	12.2
432.20969	2.6
453.15558	8.8
462.37198	1.5
467.17242	3.7
621.27112	96.0
622.27533	18.3
675.30621	4.0
857.39929	11.5
858.40833	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	859.194
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00314	4.5
69.04063	4.4
72.77312	3.8
83.01359	6.7
96.96059	5.1
107.01371	5.9
109.02979	4.4
113.02478	4.7
121.02967	7.4
125.02460	8.7
134.57916	3.8
147.61336	3.9
151.00374	40.7
152.99576	4.0
163.00401	6.5
164.01083	4.7
164.04796	4.5
169.01401	7.8
178.99841	15.3
186.17355	5.3
227.03429	4.4
229.01439	6.6
255.02898	7.9
259.38510	4.2
275.01898	6.8
283.02371	4.7
300.99982	25.3
301.03506	100.0
302.03854	9.5
368.97458	4.6
477.06793	64.0
478.06998	11.1
615.57159	4.4
671.86285	4.5
827.01581	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	859.464
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98816	5.4
69.07905	11.2
73.08900	1.5
77.73438	1.4
93.03468	2.9
98.21827	3.4
121.02981	6.6
122.03744	16.0
125.62528	1.4
131.59744	1.5
132.02187	12.6
133.02980	8.5
134.03758	7.5
135.04546	1.7
136.01671	4.4
137.02487	3.3
146.03705	1.5
149.02469	21.1
150.03238	85.2
151.03641	3.4
158.14200	1.4
160.01668	68.8
161.02153	2.5
164.04839	3.1
165.05577	75.2
166.05910	3.7
175.04015	72.2
176.04375	3.6
180.04309	5.5
193.04980	6.6
195.06630	45.1
196.06931	1.9
267.06537	2.0
282.09079	2.7
327.12512	1.8
341.10184	4.8
353.10345	2.7
469.33514	6.7
470.33517	1.7
487.34244	4.6
634.39825	1.6
663.39001	100.0
664.39355	28.9
811.44617	16.2
812.44324	4.5
859.46021	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	861.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00320	1.8
66.30623	1.5
71.55226	1.4
75.15083	1.4
80.96522	3.2
81.03450	4.9
83.01377	2.2
85.06601	2.2
87.04517	1.7
95.05011	3.1
109.06602	3.1
111.04511	10.8
113.06151	3.4
113.09716	1.9
122.97572	1.4
123.08162	6.9
125.02430	8.5
125.06089	6.8
137.02431	1.6
139.03957	3.0
149.02495	1.9
151.00369	1.7
151.07643	16.2
163.63878	1.4
165.09233	33.4
166.09581	1.9
167.07121	3.7
177.01979	1.7
179.07146	2.2
181.08716	10.3
191.03558	1.7
191.07141	3.2
193.08691	1.5
195.06641	50.2
196.06982	2.7
203.07172	1.4
205.04990	3.8
207.06612	4.3
208.07338	2.8
209.08197	100.0
210.08565	7.0
217.08505	1.4
219.06682	15.2
221.08224	5.1
223.09715	5.5
228.75163	1.9
231.10342	1.9
233.04509	3.4
233.08206	4.5
247.06108	31.7
247.08946	1.8
247.09831	2.5
248.06764	7.1
249.07671	6.4
249.11438	6.5
259.09830	2.2
261.07715	8.0
262.08212	2.0
263.09363	6.8
263.12836	7.0
273.11224	2.5
275.09390	9.6
287.09381	1.8
289.07480	1.5
289.10806	1.7
299.09338	2.7
301.07166	1.7
301.10724	3.5
303.08725	6.1
304.09424	1.8
317.09995	2.3
328.09552	3.0
344.09055	4.8
345.09314	2.1
361.13101	3.2
361.20074	2.7
371.14960	3.9
372.14951	1.9
375.14401	2.2
385.12784	2.1
387.14331	4.7
399.14435	18.1
401.12411	4.3
413.16113	2.8
415.14035	50.5
416.14624	8.9
423.63626	1.5
429.15662	15.5
430.15878	1.5
431.20923	5.4
443.13470	18.7
444.13983	2.9
445.22360	11.5
457.15033	38.0
458.15283	5.6
466.97015	2.3
469.18933	3.3
497.17987	1.5
511.20023	2.8
581.23810	16.7
582.24304	4.3
625.22931	7.9
625.32233	1.7
635.28461	3.8
651.27704	2.9
652.28571	2.8
861.36090	6.7
861.50806	2.2
862.35297	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	863.225
Annotation	Unknow
Peak:m/z	Relative Intensity
63.70737	3.6
71.29897	5.7
125.02442	17.9
128.97049	3.9
137.02463	10.6
139.04034	11.2
151.04086	4.8
169.01505	6.8
171.18085	3.7
180.89035	4.1
206.45255	4.5
209.08160	10.6
269.98010	14.5
285.00388	12.5
289.07166	5.1
297.97498	27.6
312.99924	68.1
328.02319	37.1
371.13129	5.0
491.08356	100.0
492.08383	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	863.5019
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98819	1.8
66.92310	0.4
69.03443	1.0
70.31812	0.4
71.01386	12.6
72.99294	1.3
73.02952	2.0
80.02679	1.1
80.70864	0.3
81.03452	1.6
83.01379	1.7
83.05029	5.5
84.02184	0.8
85.02956	3.2
87.00875	2.7
89.02450	10.6
93.03467	0.4
95.01379	1.4
95.05035	0.7
97.02971	1.8
98.21767	1.2
99.00921	0.6
101.02456	9.5
101.03121	0.7
101.87220	0.4
104.81897	0.3
109.06606	0.6
113.02464	6.3
114.78544	0.3
115.44167	0.4
119.03511	2.7
124.01759	0.3
124.84299	0.3
125.02454	5.2
125.06047	0.5
135.08180	0.7
139.04008	0.4
141.01993	0.5
143.03505	1.7
161.04593	2.3
163.11295	4.4
165.12822	2.7
174.68680	0.4
179.05643	3.3
181.12309	0.6
191.10739	1.0
209.11835	100.0
210.12143	5.9
217.07246	0.4
221.06656	1.4
226.43343	0.4
227.12903	8.6
228.13216	0.6
235.08208	3.4
251.12874	0.5
251.79982	0.5
253.09216	0.5
255.23300	42.1
256.23660	3.9
269.24957	0.5
287.07748	1.8
305.08704	1.8
323.09982	0.8
378.85178	0.4
379.12466	5.1
389.75986	0.4
397.13519	27.7
398.13895	2.1
407.25494	0.4
415.14563	6.4
416.14603	0.6
443.20877	0.4
589.25269	1.0
607.26141	1.1
612.94629	0.4
630.53699	0.4
653.37384	0.6
801.61084	0.6
824.59033	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5021
Annotation	Unknow
Peak:m/z	Relative Intensity
64.69872	0.3
69.03465	1.0
71.01389	18.7
71.28245	0.5
72.99294	1.7
73.02967	2.8
75.00874	0.6
80.02696	1.1
81.03082	0.3
81.03451	2.0
83.01381	2.3
83.05031	4.4
84.02170	0.7
85.02957	4.1
87.00877	4.1
89.02451	14.2
95.01419	1.5
95.05044	0.7
97.02954	2.7
97.06583	0.4
99.00887	1.1
101.02451	12.7
104.21355	0.4
109.03000	0.4
109.06626	0.5
111.04589	0.4
113.02458	6.3
115.03989	0.5
118.28870	0.3
119.03514	3.5
121.02948	0.4
125.02467	6.2
125.06077	0.6
131.03528	0.5
133.05125	0.6
135.08205	0.4
139.04024	0.4
141.01921	0.4
143.03502	2.6
145.05141	0.4
149.04549	0.4
156.79602	0.3
161.04568	3.7
163.11328	3.6
165.12885	2.5
179.05624	3.3
181.12343	1.0
191.10794	1.1
199.06107	0.6
209.11844	100.0
210.12186	6.5
217.07181	0.5
221.06729	1.3
227.12891	11.3
228.13211	1.1
235.08240	5.1
245.06587	0.4
253.09384	0.9
255.07668	0.4
255.23311	53.7
256.23685	4.6
259.08191	0.4
260.75681	0.4
263.07526	0.5
269.24863	0.8
277.43546	0.4
287.07715	1.6
305.08725	1.7
323.09851	1.2
352.44986	0.4
361.11401	0.4
379.12534	5.8
380.12735	0.4
397.13525	36.8
398.13892	3.6
415.14584	7.7
416.15070	0.7
653.37653	0.8
837.18793	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
62.07120	0.3
65.00311	0.8
71.28679	0.4
79.95739	0.6
83.01388	2.1
96.96006	0.6
107.01389	1.4
109.02953	1.6
109.03610	0.4
115.04346	0.3
121.02956	0.8
123.00899	0.4
123.04530	2.2
124.01669	0.8
125.02462	46.5
126.02804	1.6
137.02446	1.6
139.04028	0.8
147.04559	0.5
149.02443	2.6
150.03247	1.0
151.00374	6.1
151.04013	5.1
152.01178	3.0
153.01974	6.4
161.02429	1.0
163.00444	0.6
169.01460	0.8
171.04492	0.5
173.05995	0.5
174.03217	1.3
175.04015	7.6
176.04320	0.5
177.01949	11.2
178.02303	0.7
178.99878	6.0
181.01450	1.6
188.04762	0.7
189.05653	2.1
193.05165	0.6
199.04022	4.6
201.01941	1.1
210.81413	0.4
213.05576	0.8
216.04085	0.6
216.46986	0.4
216.77199	0.4
217.05098	5.7
230.99707	4.7
231.06625	0.6
241.05069	3.6
243.02983	1.0
256.97873	0.5
257.04636	0.4
259.06110	2.5
264.28204	0.4
275.05585	4.2
276.06180	0.5
285.04077	38.6
286.04422	3.0
303.05145	16.1
304.05457	1.1
383.00812	100.0
384.01117	9.2
388.81238	0.4
562.98560	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03962	0.6
67.01894	0.6
69.03460	0.6
70.11320	0.5
71.03360	0.7
71.29242	0.7
73.59706	0.6
77.19207	0.6
78.84939	0.6
81.03477	1.3
83.01389	3.4
93.03452	1.5
95.05022	0.9
96.96033	1.0
97.02956	2.4
105.03449	0.9
105.51429	0.6
106.79235	0.6
107.05042	1.4
108.02200	0.8
109.02970	11.2
121.02985	3.1
123.04547	8.4
125.02463	100.0
126.02796	4.1
131.05052	1.8
133.02957	5.7
135.04578	2.0
137.02457	14.3
139.04037	2.0
143.05119	0.7
145.02994	1.5
145.06551	0.7
145.71338	0.6
146.03804	0.7
147.04558	1.0
149.02452	4.9
150.03204	0.6
151.04024	13.0
159.04559	2.4
161.02460	30.0
161.06070	1.7
162.02974	3.0
163.00400	3.3
163.04019	3.2
164.01167	5.6
164.04454	0.6
164.36932	0.7
165.01952	5.6
167.03523	2.9
169.01468	1.5
173.02484	0.9
173.06125	1.7
175.04024	16.8
176.04599	0.8
177.01953	12.2
177.05542	1.6
179.03566	1.5
185.06157	1.1
187.04044	4.4
188.04771	1.2
189.01974	1.9
189.05534	1.2
190.02733	0.9
193.05095	1.2
199.03987	3.3
201.01875	1.3
201.05609	2.4
203.03600	3.4
203.07265	3.2
204.07567	0.7
205.01422	2.3
205.05104	3.7
211.04039	1.1
213.05502	0.9
215.03551	1.1
217.05099	6.8
218.05568	0.7
219.02916	3.1
219.06511	0.9
221.08127	0.8
227.03546	1.7
228.04185	1.3
229.05087	2.2
231.03046	1.6
237.05493	0.7
243.02991	17.0
243.06502	1.2
244.03371	1.8
245.04575	9.7
245.08189	4.6
247.05901	0.9
255.03017	6.8
256.03778	2.5
257.04544	1.8
261.04041	5.8
269.04611	2.2
273.04156	2.6
281.04562	2.5
283.02490	1.8
285.04129	2.6
287.05627	26.0
288.06042	2.3
289.07211	17.9
290.07556	0.9
295.05734	0.7
299.05640	3.0
300.99969	1.1
315.08841	1.2
329.06711	1.0
337.07315	0.9
339.08621	1.5
341.06757	2.4
381.09778	1.4
383.07513	0.8
387.47269	0.6
389.07278	1.0
391.04712	0.9
395.08151	0.8
405.05969	3.6
407.07718	20.9
408.08203	2.5
413.08893	6.1
418.58752	0.7
423.07379	4.5
424.07794	0.9
425.08902	8.1
426.09042	1.0
449.08990	5.2
450.09094	0.6
451.10422	5.8
474.09079	0.7
525.08215	1.8
543.09070	3.1
559.12769	1.4
561.10620	1.8
569.10809	1.3
575.12225	5.0
576.12189	1.0
577.13599	7.5
578.13812	1.1
587.11902	2.1
695.14307	3.9
696.14331	0.8
713.15161	2.0
739.16638	1.6
865.19977	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03968	0.7
70.50838	0.6
81.03454	1.1
83.01389	3.0
93.03446	1.8
93.23254	0.6
95.05041	0.8
96.36562	0.6
97.02979	1.4
100.38444	0.7
103.03875	0.6
107.05045	1.2
108.02173	0.9
109.02962	10.4
110.42934	0.6
117.03484	1.6
121.02981	2.7
123.04527	8.1
125.02458	100.0
126.02783	3.6
131.05014	1.2
133.02942	5.7
135.04575	1.8
137.02464	14.0
139.03973	1.3
144.58252	0.6
145.02982	1.2
147.04565	0.9
148.16187	0.6
149.02449	2.9
149.06059	0.8
150.03256	0.7
151.04012	10.9
152.04387	0.7
159.04543	2.9
161.02455	33.4
161.05974	1.4
162.03033	2.2
163.00368	3.7
163.03999	3.8
164.01224	4.6
165.01933	5.2
167.03555	1.7
169.01355	1.1
173.06126	1.0
174.03217	1.3
175.04002	14.4
176.04350	0.7
177.01944	10.7
177.05563	1.2
179.03560	2.4
183.04396	0.7
187.04054	3.6
188.04799	1.5
189.01978	2.1
190.02625	0.8
191.03542	0.9
193.05087	0.7
199.04044	4.0
200.14673	0.7
201.02043	0.9
201.05626	3.1
203.03578	3.4
203.07146	4.0
205.01456	1.7
205.05118	3.5
214.02829	0.8
217.05080	6.3
219.03011	2.9
225.05565	1.1
227.03545	1.4
227.07085	0.7
229.04988	1.7
230.05823	1.0
241.05069	1.2
243.02998	18.2
243.06660	1.4
244.03378	2.2
245.04556	10.1
245.08206	5.1
247.06235	1.3
255.02956	6.0
255.05573	0.7
256.03775	2.3
257.04324	1.7
261.04031	7.4
269.04630	3.0
271.06006	1.2
273.04092	1.9
281.04669	2.1
282.01944	0.9
283.02505	1.2
285.04047	2.6
287.05637	27.7
288.05969	2.5
289.07190	24.7
290.07568	1.9
297.07770	0.8
299.05649	4.4
300.99997	0.9
313.99979	0.7
329.06668	1.1
339.08835	2.4
341.06732	1.3
369.09656	0.8
381.10101	1.4
381.19131	1.9
383.07861	0.8
389.07184	0.9
391.04724	1.0
395.07690	0.9
405.06155	4.2
407.07724	22.9
408.08032	2.3
413.08725	5.6
414.09152	0.9
423.07092	4.5
425.08792	10.8
425.14310	1.2
426.08801	1.3
429.94681	0.8
435.07080	1.1
449.08875	6.2
451.10184	6.9
452.10977	0.9
517.10596	0.8
525.08734	2.2
533.10242	0.8
543.09222	4.0
559.12653	1.3
561.10687	1.6
575.11938	4.4
577.13513	7.6
578.13947	1.4
587.12189	2.1
695.14111	5.2
696.13892	1.4
713.15155	2.1
739.16870	1.7
865.19928	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	0.7
69.49725	2.9
69.50141	1.3
81.03468	1.4
83.01411	4.8
89.03986	1.0
93.03456	1.3
95.05016	1.7
97.02963	2.0
98.22601	0.9
107.05064	2.0
108.02178	1.7
109.02965	11.8
117.03448	1.2
119.04984	0.8
121.02937	3.1
123.04530	9.5
125.02460	100.0
125.84071	0.9
126.02782	4.4
131.05028	1.3
133.02965	6.0
135.04520	2.5
137.02475	15.7
139.04008	2.0
145.02948	1.5
147.04564	0.9
149.02419	4.3
149.06021	1.0
151.04024	12.0
159.04518	2.2
161.02454	34.7
161.06078	1.6
162.03024	2.5
163.00383	3.1
163.04050	3.8
164.01155	6.3
165.01921	6.5
167.03505	1.3
173.02417	1.3
173.06012	1.4
174.03209	1.7
174.88942	0.9
175.03992	14.8
175.07605	1.3
176.04468	1.3
177.01939	12.7
178.02374	1.0
179.03477	3.0
183.04515	1.0
187.03975	5.0
188.04729	1.5
189.01910	2.6
189.05617	1.2
190.02551	1.2
191.03543	1.1
193.05040	1.3
199.04056	3.8
200.33421	0.8
201.01868	1.0
201.05579	2.0
203.03519	2.3
203.07141	5.7
205.01370	1.8
205.05109	4.6
211.04091	1.1
213.05673	1.2
215.03586	1.1
217.01262	0.9
217.05075	7.7
219.02936	3.9
219.06635	0.9
221.08105	1.5
225.05655	1.7
227.03517	2.0
229.05078	2.4
231.02991	1.9
243.02995	19.7
243.06616	1.4
244.03340	1.3
245.04546	11.1
245.08182	6.1
246.04921	2.1
253.04924	1.0
255.02963	5.9
256.03699	2.7
257.04523	1.4
259.05692	0.8
261.04102	6.0
269.04562	3.4
273.04077	2.0
281.04535	3.2
282.01645	1.2
283.02359	1.5
285.04059	1.7
287.05649	27.7
288.05988	1.9
289.07193	21.9
290.07489	2.0
299.05765	3.8
329.06531	1.0
339.08588	1.9
341.06577	1.5
363.04953	1.3
381.10034	0.9
405.06110	4.9
407.07712	19.5
408.08081	1.5
413.08789	5.8
423.07208	3.7
425.08896	11.5
433.09421	1.1
449.08875	7.5
450.08899	1.1
451.10406	8.7
451.16046	1.3
522.74945	0.8
525.08105	1.9
543.09332	4.7
569.10529	1.2
575.11835	4.2
577.13605	7.9
578.13440	1.3
587.11957	2.5
695.14343	5.5
713.14771	2.3
739.15845	2.2
865.19556	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03948	0.6
69.22949	0.7
71.01371	0.8
71.28172	0.6
75.97816	0.7
81.03453	1.6
82.34345	0.6
83.01397	3.7
89.03938	0.9
93.03456	1.5
94.32620	0.8
95.05058	1.3
97.02988	2.2
102.98598	0.8
107.05029	2.4
109.02956	11.5
112.22942	0.6
112.60400	0.7
117.03517	0.9
119.03529	0.6
121.02962	2.1
122.03751	0.9
123.04529	8.4
124.01652	1.1
125.02457	100.0
126.02804	2.6
131.05000	1.0
133.02972	6.1
135.04536	2.1
137.02455	13.2
139.04015	2.0
146.03769	0.8
147.04550	1.3
149.02454	3.3
150.03186	1.9
151.04024	12.4
152.04364	0.7
158.03690	1.1
159.04539	2.3
161.01126	1.7
161.02463	35.0
161.06104	1.4
162.03035	2.5
163.00395	2.8
163.04016	4.0
164.01189	6.8
165.01985	6.0
167.03517	1.6
173.06076	1.6
174.03226	1.0
175.04012	18.0
175.07634	1.0
176.01183	1.3
177.01944	10.3
177.05638	0.9
178.02539	0.6
179.03516	2.1
181.06581	0.7
187.04005	4.2
188.04868	1.2
189.01955	2.7
189.05493	1.4
190.02640	0.9
191.03482	1.2
193.04984	1.3
199.04037	2.5
200.04500	0.8
201.01974	1.2
201.05573	2.8
202.06259	0.9
203.03513	3.0
203.07155	3.7
205.01492	0.8
205.05130	5.1
211.03972	1.3
213.05623	0.8
214.24753	0.8
215.03470	1.5
217.05028	6.9
218.07619	0.7
219.03044	3.4
225.05574	1.5
227.03499	2.5
227.07199	0.9
228.04439	0.7
229.05031	2.2
231.03023	1.2
241.05064	1.1
243.02992	18.3
243.06761	2.2
244.03474	1.7
245.04535	12.2
245.08105	5.7
255.02992	6.8
256.03665	3.7
257.04480	1.5
261.04068	7.2
269.04388	3.2
273.04053	1.7
278.92651	0.8
281.04712	2.0
282.01886	0.8
283.02563	2.0
285.04044	2.1
287.05606	28.9
288.05927	3.5
289.07205	22.1
290.07632	1.7
293.04538	1.1
295.06342	1.0
299.05600	4.1
303.04651	0.8
327.05252	0.9
339.08902	1.5
341.06601	1.3
381.05844	0.8
381.10266	1.0
389.06720	1.0
391.04529	1.0
395.07758	1.1
403.16202	1.5
405.06158	4.9
407.07742	21.0
407.13095	1.2
408.08279	3.0
408.67819	0.8
413.08804	7.2
414.09180	1.2
423.07278	4.6
424.07776	1.3
425.08817	11.9
426.09097	1.9
435.07449	1.3
449.08624	6.6
450.09448	1.0
451.10281	9.3
452.10913	1.2
525.07904	2.1
533.11475	1.4
543.09192	4.1
559.12787	1.5
561.10779	1.8
569.10986	1.7
575.11841	4.5
577.13519	8.3
577.21521	1.1
578.13831	1.9
587.12000	3.2
695.14075	6.8
696.14575	1.1
713.14648	2.2
739.16803	2.9
865.20264	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.6882
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	1.6
65.05709	0.3
66.84776	0.3
69.50597	0.3
71.01378	0.5
80.22082	0.3
80.96512	1.4
98.21749	0.7
110.36774	0.3
111.04529	0.5
119.97445	0.4
133.61687	0.4
144.09239	0.3
170.92137	0.3
181.08702	0.8
195.06747	0.4
207.06635	0.7
209.08118	0.7
221.08136	0.4
221.29379	0.3
407.32605	0.4
409.18686	0.8
432.40048	0.3
453.33746	100.0
454.34097	17.4
550.17157	0.4
866.49298	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
69.44268	2.5
109.02977	5.4
124.01643	4.1
125.02457	23.0
137.02461	6.2
151.00397	4.8
164.01208	3.0
167.03394	2.5
169.01448	9.2
177.01865	5.2
178.99944	4.1
214.02611	4.8
227.03426	3.6
229.05008	2.4
240.63412	2.6
242.02226	4.2
243.03073	2.5
245.08127	3.3
259.02545	4.2
270.01846	3.3
271.02521	25.2
272.02948	2.7
287.02075	12.7
300.99973	6.1
305.06702	5.0
316.02249	84.1
317.02859	19.2
463.08871	100.0
464.09216	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	867.4236
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	11.6
68.64470	1.5
68.97722	13.8
71.01384	12.2
72.99293	2.5
73.02947	2.5
75.00854	1.3
81.03448	2.3
83.05028	6.3
85.02961	2.8
87.00882	2.8
88.98830	1.6
89.02461	6.9
89.65340	1.4
93.03518	1.7
98.22573	2.1
101.02431	6.7
102.62564	1.2
102.67241	1.5
108.02129	1.5
109.02966	4.3
111.00934	2.1
111.60238	1.8
111.97600	1.4
113.02490	5.0
115.34229	1.5
116.92848	2.0
119.03489	3.0
121.02948	1.6
123.04533	4.5
125.02442	10.1
133.02962	2.1
134.03735	1.5
135.04561	4.6
136.01669	1.6
136.04813	1.8
137.02470	5.7
139.04041	2.3
149.02489	1.8
150.03189	3.3
151.04022	2.4
152.01151	1.4
161.02480	9.2
163.04005	1.9
163.11269	3.1
164.04802	5.9
165.02017	2.1
165.05516	2.6
165.12926	3.1
169.01430	3.3
175.03902	1.6
179.03497	2.8
179.05597	2.0
179.07083	2.2
179.42101	1.4
181.05051	1.5
183.06584	1.6
191.05634	3.3
194.05656	1.9
209.11839	100.0
210.12213	6.8
221.06567	2.2
227.12930	19.8
235.08203	2.6
255.06557	4.3
256.07352	1.5
271.09726	2.1
315.08804	4.9
397.13528	23.0
415.14529	6.0
459.12976	2.9
525.60669	1.6
655.19147	1.6
867.30176	12.1
868.30933	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	867.4689
Annotation	Unknow
Peak:m/z	Relative Intensity
69.17498	5.3
84.47570	0.6
95.01283	1.2
109.02887	0.8
123.00877	10.1
134.03651	0.9
135.04480	0.9
138.03238	19.2
143.04922	0.9
145.02966	11.6
146.03557	0.8
147.00815	1.7
153.05602	11.1
155.27556	0.7
158.03629	0.7
159.04526	4.0
161.02460	9.2
162.03116	0.8
163.03850	2.9
163.05066	0.7
171.04570	4.7
172.05144	1.2
174.03030	0.8
175.03865	2.9
177.01416	0.8
187.03877	2.1
189.01784	1.4
189.05553	4.5
190.02673	1.0
198.03062	1.3
203.03323	3.2
205.05043	1.3
211.03848	0.9
215.03514	1.3
216.08142	0.7
222.07031	0.7
225.05270	0.7
226.02821	3.7
237.05363	1.3
238.06056	1.6
239.03400	1.6
244.87593	0.9
246.09575	0.9
248.04694	0.9
249.05486	3.6
250.06212	1.4
254.02144	0.9
265.04996	4.3
266.05597	3.0
267.02905	1.8
267.06250	2.1
269.04398	2.1
271.33881	0.6
277.05093	3.9
278.05679	2.0
279.06302	1.5
280.07053	1.2
281.07947	0.9
282.05276	3.5
282.08267	0.7
283.05582	0.7
293.04413	4.0
293.07803	1.5
294.05362	5.8
295.06146	5.4
296.06577	1.1
297.07468	1.6
305.04379	1.3
308.06885	1.5
309.07654	11.0
310.08429	5.5
311.08942	1.3
321.03799	2.1
323.05618	0.9
323.09158	4.0
324.10117	4.9
325.10751	8.5
326.11301	1.2
332.83621	0.7
339.08560	1.6
340.09128	0.7
351.08401	1.2
352.09421	1.2
353.10129	1.7
369.09940	1.0
437.33920	2.6
537.34717	0.8
568.35309	1.9
581.36615	3.9
582.36652	1.4
595.38312	0.9
596.38763	1.0
609.40088	1.0
628.37811	0.9
631.36151	3.1
641.38428	7.9
642.38843	1.2
646.38470	1.8
647.38879	1.1
653.38837	4.8
654.38800	2.1
661.41333	4.3
662.40796	1.3
686.38788	1.1
747.43439	1.7
761.40991	0.9
763.45483	3.9
764.46185	1.2
795.44916	2.4
807.44794	100.0
808.45111	25.7
867.46875	53.4
868.47266	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	867.4689
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	1.0
64.37106	0.9
67.69185	1.1
69.23273	3.3
69.23697	3.9
73.28963	1.0
95.01392	1.6
103.02000	1.0
109.02998	1.1
120.29440	1.2
123.00906	12.9
137.02547	1.2
138.03249	19.5
143.05028	2.3
145.02980	12.4
147.00955	2.3
153.05589	10.8
159.04543	4.3
161.02438	10.8
162.03235	1.7
163.04056	1.3
171.04541	9.3
172.05206	1.2
175.00500	1.7
175.03993	5.4
187.04071	1.8
189.01979	1.1
189.05623	3.6
190.02843	2.1
198.03421	1.1
203.03616	1.7
205.05005	2.0
215.03519	2.2
226.02879	3.8
237.05704	3.3
239.03651	2.5
239.07388	1.4
248.04843	1.5
249.05643	3.0
251.07129	1.1
254.02133	1.4
265.05072	4.1
266.05939	3.5
267.03220	1.2
269.04730	1.5
276.04330	1.9
277.04996	5.2
278.05917	3.3
279.06628	2.0
282.05417	3.0
282.83447	1.0
293.04770	8.2
293.07883	2.2
294.05359	7.6
295.06207	3.3
296.06909	1.1
297.07764	1.9
308.06934	2.5
309.07629	10.6
310.08569	1.7
321.04126	2.9
323.09393	4.4
324.10077	1.8
333.64349	1.2
351.08850	2.3
437.34476	2.1
581.36603	1.3
628.37598	1.4
631.36627	2.3
641.38617	9.0
642.39227	1.4
646.38629	3.1
647.39288	1.4
653.38422	8.1
654.39008	2.9
661.41058	7.5
662.41101	2.0
670.24725	1.2
763.46497	1.6
776.41986	1.2
777.41351	1.4
807.44843	100.0
808.45215	31.2
867.46930	65.6
867.64221	2.0
868.47247	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	868.4422
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	4.2
63.96245	42.8
74.37760	2.9
78.98599	56.9
78.99001	2.1
87.05658	3.6
95.49823	2.8
98.22618	5.2
118.76927	2.8
129.10371	13.9
155.08257	3.1
200.14043	3.1
207.15005	11.3
224.17749	3.5
225.18230	3.3
242.18813	9.2
295.21228	4.7
311.74692	2.9
337.26041	4.2
349.22165	3.5
387.00223	3.0
390.26620	2.9
658.39417	3.4
832.46637	100.0
833.46741	29.0
868.43262	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	868.5305
Annotation	Unknow
Peak:m/z	Relative Intensity
65.15639	0.3
69.76029	1.0
69.76402	0.6
76.22319	0.3
82.95415	1.6
84.95128	5.4
85.00439	100.0
86.00181	0.3
86.00787	1.1
108.61536	0.3
109.87557	0.3
129.10356	1.3
137.95601	0.3
139.08803	0.4
165.70982	0.3
181.96069	0.3
193.73985	0.3
200.14137	0.3
207.15063	0.8
224.17642	0.7
242.12083	0.3
242.18710	0.6
243.43420	0.3
264.79099	0.3
292.89142	0.4
295.21423	0.6
313.22562	0.4
337.26254	0.6
350.32031	0.3
393.33310	0.3
410.49261	0.3
494.89090	0.3
563.30933	0.3
573.37482	0.4
782.51855	17.1
783.52319	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	869.4547
Annotation	Unknow
Peak:m/z	Relative Intensity
62.54820	0.2
71.01387	11.0
72.99324	1.1
73.02948	0.3
83.01381	0.9
85.02956	2.1
87.00887	0.4
89.02448	10.5
90.02735	0.2
95.01404	1.2
99.00860	0.2
101.02451	7.0
113.02460	4.3
119.03503	3.8
125.02464	0.2
131.03458	0.3
149.04414	0.2
180.04192	0.2
189.99191	0.2
228.91109	0.2
233.07823	0.2
393.31961	0.3
439.32230	4.2
440.32657	0.6
441.33777	1.9
442.34262	0.5
445.29431	0.2
485.32718	0.8
527.33807	4.5
528.34052	0.7
647.38025	100.0
648.38354	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	871.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
75.74692	0.8
81.03469	3.9
81.86431	1.0
83.01392	1.4
89.16236	1.0
99.08122	0.9
109.02937	2.8
109.06596	2.5
111.04527	4.2
125.02460	5.5
125.06060	2.4
127.07784	0.9
133.06656	1.3
137.01483	1.3
137.02461	15.0
151.00362	1.1
151.07651	20.6
163.00400	1.7
165.09200	12.3
179.07132	3.4
181.08713	6.4
189.05573	3.3
191.07101	1.1
195.06638	75.5
196.06979	3.7
203.07152	1.6
207.06642	67.3
208.06975	2.4
209.08199	38.4
210.08458	1.4
221.08200	34.5
222.08597	2.5
249.11330	6.1
261.11331	2.4
263.12903	4.4
275.12860	1.9
275.82388	1.1
285.07770	2.6
301.78351	1.0
343.15714	2.1
352.98358	1.0
355.11896	21.4
356.12076	1.9
357.16846	1.6
367.11899	17.9
368.12286	2.5
369.13428	11.2
370.13513	1.7
381.13553	7.4
382.13672	1.5
413.19702	20.6
414.20197	2.9
425.14343	1.7
425.19604	12.2
426.20062	1.2
427.21164	27.5
428.21655	2.5
431.20782	8.9
439.21252	18.7
440.21738	2.3
445.22476	4.8
467.16724	1.0
621.27216	7.7
635.28619	100.0
636.28827	20.9
689.33466	5.6
716.01965	1.2
871.42358	9.6
872.43170	2.9
895.03302	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.4337
Annotation	Unknow
Peak:m/z	Relative Intensity
68.98684	3.9
71.01386	6.6
72.99310	0.8
73.02942	0.5
83.01412	0.5
85.02955	1.4
89.02450	6.1
93.03462	0.7
95.01395	0.8
98.21802	1.0
101.02456	4.6
113.02467	2.8
119.03519	1.9
123.04560	0.5
125.02454	1.3
137.02528	0.7
150.61084	0.4
161.04584	0.4
162.46837	0.5
162.99731	0.4
165.01945	0.5
167.03532	0.6
169.01396	0.4
170.72502	0.5
210.38788	0.4
273.07785	0.9
397.31216	0.6
399.32733	1.6
425.30716	1.5
441.30197	3.4
442.29868	0.5
443.31647	4.4
444.32080	0.5
487.30646	14.7
488.30966	2.6
529.31757	12.3
530.32129	1.8
531.45172	0.6
640.91083	0.5
649.35950	100.0
650.36292	20.4
650.47266	0.8
696.24030	0.5
760.11658	0.4
878.10675	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
62.98540	0.2
62.99257	0.1
71.01392	0.4
89.02467	0.2
101.02444	0.2
102.88929	0.1
113.02458	0.1
119.03484	0.1
125.02477	0.4
169.01451	0.6
271.04666	0.1
647.38226	0.4
648.38098	0.9
649.38556	1.3
650.38971	1.9
650.48755	0.1
651.39203	0.1
709.00964	0.1
720.22540	0.1
721.23590	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	1.0
69.64515	1.1
69.64929	2.2
71.01376	2.2
72.99305	0.7
73.02942	1.0
76.59949	0.6
79.01924	0.7
87.00887	0.6
89.02476	0.9
95.01402	2.0
96.95998	0.9
97.02947	1.3
99.04540	0.8
101.02468	1.7
101.06113	0.8
107.01392	7.5
109.02997	1.1
111.00886	2.5
112.56849	0.5
113.02450	1.1
113.06123	0.6
123.00886	8.8
123.04531	0.6
124.01686	2.2
125.02455	42.0
126.02799	1.2
127.00394	0.8
136.98828	0.6
137.02452	1.0
139.00352	3.6
139.04001	0.8
140.01170	3.1
141.01981	0.7
149.02519	0.9
151.00360	6.0
153.02014	1.1
161.04544	0.7
165.01988	1.1
166.99907	0.8
167.03470	0.8
168.00671	6.2
169.01437	53.5
170.01781	2.4
179.03442	0.9
181.01468	1.1
183.03000	0.9
193.01439	2.3
201.71542	0.5
207.03011	0.8
209.04623	1.1
211.02484	9.9
221.86583	0.6
223.02452	0.7
237.04097	0.9
241.03467	1.0
253.03494	1.1
271.04578	9.1
290.98987	0.6
295.04559	0.9
301.00003	0.7
313.05710	4.3
331.06769	2.2
367.97281	0.6
381.35400	0.6
381.56558	0.6
381.71423	0.6
387.86496	0.6
423.00916	0.7
423.05576	3.7
465.06912	0.6
483.07874	5.9
485.16852	2.3
569.22375	9.4
570.22687	1.4
674.42084	0.6
697.75732	0.6
721.23529	100.0
722.23859	19.4
768.08374	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01411	3.1
86.04774	2.3
103.50455	2.2
109.02959	2.8
123.04570	4.0
125.02457	63.7
126.02769	3.7
134.40486	2.3
135.53511	2.4
137.02458	4.0
149.02556	3.7
151.00452	3.5
151.04031	10.7
153.01932	5.5
161.02478	4.3
165.01955	3.6
169.01462	6.4
174.03284	2.4
175.04057	11.7
177.01949	13.8
178.02519	2.3
178.99886	8.0
191.03432	2.9
199.04086	5.8
217.05038	6.0
230.99730	5.0
241.05063	5.5
243.03009	3.0
257.04477	2.8
259.05972	4.3
275.02301	3.1
275.05682	5.7
279.55151	2.3
285.04056	37.2
286.04407	5.6
298.48758	2.7
300.99966	8.0
302.00247	3.0
303.05127	16.4
333.55002	2.4
361.03680	2.7
383.00812	100.0
384.01248	7.2
526.35529	2.5
534.35962	2.5
748.35455	2.7
764.55518	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	875.423
Annotation	Unknow
Peak:m/z	Relative Intensity
64.46681	0.3
65.00323	0.7
69.72974	0.5
71.17030	0.4
81.03466	4.0
83.01403	0.7
85.06609	1.3
85.68866	0.3
87.04523	0.5
107.01424	0.5
107.05022	0.4
109.02951	0.4
109.06598	2.2
111.04530	4.7
113.09724	0.8
125.02452	4.6
127.07668	0.7
133.06606	1.5
136.05299	0.9
137.02461	2.9
151.00380	0.8
151.07660	35.4
152.07986	1.7
153.05573	0.7
160.36485	0.3
163.00395	0.4
176.01688	0.3
177.05563	1.6
178.26003	0.3
179.07133	1.0
181.08739	3.9
186.03624	0.3
189.05646	1.4
195.06631	100.0
196.06993	5.0
205.12367	1.0
207.06633	18.9
208.07068	1.0
209.08136	0.8
223.09468	0.3
245.54355	0.3
249.11324	7.0
250.11816	0.4
261.11288	0.4
403.14011	4.4
418.17801	0.3
431.20749	56.6
432.21091	8.0
527.71326	0.3
639.27966	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	879.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	3.5
67.99944	0.7
68.08168	0.8
69.03461	3.7
71.01385	1.8
72.99329	0.7
75.00882	0.8
79.01899	1.0
79.95746	2.7
81.03477	1.4
81.56695	0.7
85.02966	1.4
87.00889	0.8
88.98830	1.0
95.01404	2.4
96.96018	47.0
97.02968	3.5
98.95622	1.3
102.60212	0.8
107.01404	11.6
109.02966	2.0
111.00907	2.2
118.00347	0.9
118.53664	0.7
121.03026	0.8
123.00890	6.8
124.01678	2.8
125.02459	100.0
126.02809	3.5
129.10388	1.3
136.28409	0.7
136.98761	0.9
137.02458	2.0
139.00429	2.8
140.01201	2.4
141.01920	0.8
143.03506	2.7
147.04631	1.0
148.26494	0.8
149.02544	1.0
151.00374	3.3
163.04182	1.2
165.05659	1.0
166.99870	1.9
167.03572	1.2
168.00645	5.6
169.01440	99.4
170.01825	3.4
177.05524	1.0
179.07230	0.9
183.65590	0.8
191.03545	1.6
193.01485	1.9
193.05045	0.8
205.01527	0.8
207.03114	1.2
207.15016	1.5
209.08118	1.2
211.02559	2.3
224.17850	1.5
237.04085	1.8
242.18912	0.8
253.03561	1.3
263.66757	0.8
267.66995	0.9
285.07648	1.4
295.04501	3.6
313.05679	23.7
314.06125	1.9
325.11224	0.8
331.92883	0.9
337.10938	3.4
340.09720	1.2
355.11871	52.9
356.12219	6.0
379.11548	1.1
397.12756	1.5
413.19717	23.7
414.20093	2.9
465.06717	10.4
466.07196	1.6
727.26147	2.1
878.47583	2.2
879.27313	87.9
879.46869	11.0
880.27557	26.4
880.45477	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
69.13931	1.8
69.14337	0.7
71.01365	0.5
72.99298	0.4
73.02937	0.3
79.95305	0.5
79.95745	6.8
80.96516	4.6
83.01426	0.5
83.05032	0.5
85.02958	2.1
93.03546	0.4
93.28097	0.4
96.96018	100.0
98.21741	0.6
99.04528	0.6
109.02946	2.2
121.02957	0.6
123.00874	1.2
123.04526	1.3
125.02457	19.7
126.02797	1.1
127.04005	1.6
131.05046	0.4
133.02927	1.0
135.04610	0.4
136.45528	0.4
136.99155	7.0
137.02440	2.8
138.97076	7.7
139.04018	0.4
149.02420	1.2
150.97083	0.6
151.04028	2.2
159.04572	0.6
161.02458	3.3
162.02966	0.4
163.03914	0.7
164.01137	0.8
164.98657	3.2
165.01929	1.1
167.00032	1.1
167.03487	1.2
169.01437	3.5
175.03952	2.1
177.01939	7.2
178.02313	1.0
179.03403	0.4
182.02260	1.2
187.03963	1.0
191.03511	0.5
197.04536	1.6
199.04031	0.5
203.03477	0.4
206.99689	0.9
215.03574	0.5
217.05048	1.0
219.03006	0.8
219.06703	0.5
225.00746	60.1
226.01025	2.4
243.02994	3.6
244.03432	0.5
245.04564	1.0
245.08302	0.6
255.02994	1.3
256.03635	0.5
261.04031	1.3
262.04379	0.4
269.04642	1.0
273.03967	0.5
283.02649	0.5
287.05698	2.3
289.07098	2.1
290.07419	0.4
297.03915	0.4
300.99881	0.6
303.05157	0.8
305.06827	1.9
407.07635	2.6
413.08832	0.7
423.06052	54.3
424.06464	5.2
425.08823	1.0
467.09869	0.6
473.44534	0.4
543.09692	0.6
593.12854	0.7
695.13971	0.7
776.90656	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03463	0.8
70.54053	0.7
70.91907	1.2
79.74306	0.8
81.03464	1.2
83.01394	2.8
93.03477	1.9
95.01400	1.7
95.05033	0.9
96.96028	1.8
97.02958	1.4
107.05038	2.3
109.02957	12.7
110.03270	0.9
114.83501	0.8
117.03488	1.3
121.02970	3.5
123.00903	1.3
123.04530	5.4
125.02457	100.0
126.02779	3.5
131.04988	1.5
133.02979	3.9
135.04478	1.1
137.02455	17.6
139.04018	4.1
147.04669	0.8
149.02440	4.5
151.04024	10.5
159.04544	2.8
159.43320	0.8
161.02452	24.9
161.03766	1.6
162.03030	1.6
163.00391	2.6
163.04034	4.6
164.01144	7.1
165.01917	7.7
167.03482	4.6
173.05989	1.0
174.03282	0.9
175.04022	15.9
176.01183	1.1
176.04573	0.7
177.01945	35.3
177.05510	1.5
178.02382	1.6
179.03496	3.9
185.06239	0.9
187.04002	3.2
188.04839	1.2
189.01917	1.8
191.03514	1.6
191.07231	1.1
193.05141	1.0
199.04008	4.4
201.01906	1.0
201.05574	1.9
201.93483	0.8
203.03558	2.8
203.07207	1.4
205.01367	1.2
205.04990	1.5
211.03957	0.9
212.04860	0.9
215.03531	1.6
215.07028	1.0
217.01524	0.9
217.05032	8.0
219.03122	3.7
219.06651	3.4
221.04562	2.1
225.05576	1.3
227.03520	1.8
229.05125	1.7
231.02884	1.2
241.04884	0.8
243.02997	21.3
243.06680	1.5
244.03444	1.8
245.04581	10.1
245.08192	1.5
247.05879	0.8
255.02982	7.8
256.03741	2.4
257.04504	2.3
259.06265	1.0
261.04059	9.2
269.04697	2.4
273.04083	1.6
281.04767	1.7
282.01712	1.6
283.02438	3.7
284.03055	1.1
285.04056	2.6
287.05646	22.3
288.06003	1.6
289.07178	11.3
290.07462	1.1
293.04498	1.0
297.04092	2.9
299.05670	2.9
303.05099	6.5
305.06705	15.8
306.06952	0.9
341.06708	1.9
363.04837	1.1
381.06039	1.4
387.04953	1.1
391.04468	1.3
397.09470	0.8
405.06143	6.5
406.06641	1.0
407.07733	8.1
408.08252	1.2
413.08652	3.6
423.07141	17.3
424.07428	1.8
425.08926	5.8
429.08344	1.8
437.20642	0.8
441.08197	1.9
449.08829	2.7
451.10410	2.4
452.07721	1.6
465.08350	2.6
467.09991	5.3
506.91879	0.8
525.08563	1.6
533.11200	0.9
541.07776	1.5
543.09344	4.7
559.09424	1.1
561.10803	1.7
575.12018	3.5
576.13013	1.1
577.14020	4.0
585.10699	1.9
591.11438	2.1
593.13269	5.5
677.13239	0.8
695.14288	4.3
696.15326	1.5
711.13721	2.4
713.14697	1.3
729.15283	1.2
755.15546	1.6
881.18854	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.194
Annotation	Unknow
Peak:m/z	Relative Intensity
70.99480	0.6
81.03475	1.2
83.01390	3.0
93.03477	1.8
95.01385	0.9
95.05035	0.9
97.02961	1.2
98.21626	1.1
107.05023	1.4
108.02219	0.8
109.02953	9.8
111.04520	1.1
117.03445	0.9
121.02964	3.3
123.00912	1.8
123.04522	3.9
123.05308	0.6
124.01712	1.2
125.02457	100.0
126.02772	3.7
131.05048	1.4
133.02960	4.1
135.04518	1.8
137.02452	17.3
138.03137	0.7
139.04031	6.5
141.05937	0.6
147.04593	1.1
149.02446	3.3
149.06143	1.1
151.04016	9.5
159.04503	1.7
161.01118	1.5
161.02449	25.7
161.03761	1.4
161.06131	0.7
162.03113	1.3
163.00418	3.0
163.03996	3.1
164.01192	6.1
165.01926	9.9
167.03508	5.7
173.06030	1.2
174.03154	0.8
175.04002	14.2
176.01120	1.3
176.04460	1.4
177.01949	23.4
177.05545	1.8
178.02412	1.3
179.03517	4.8
187.04025	2.8
188.04791	1.1
189.01984	1.9
191.03558	2.0
191.07092	0.8
193.01433	0.7
193.05058	0.7
199.04065	3.8
200.04636	0.9
201.01993	1.1
201.05591	2.2
203.03516	2.8
203.07124	1.1
204.04298	1.0
205.01511	1.5
205.05081	1.9
211.04170	0.9
213.02106	0.7
213.05545	0.9
215.03561	1.3
217.01553	1.4
217.05081	8.1
219.02998	2.6
219.06560	3.5
221.04546	1.9
225.05693	1.5
227.03519	1.1
229.05072	2.7
231.02994	1.4
233.04492	0.7
241.05183	1.3
243.02992	18.3
243.06586	1.7
244.03380	1.8
245.04591	8.2
245.08202	1.6
255.03026	6.5
256.03766	1.9
257.04614	2.4
261.04071	8.1
262.04422	0.8
269.04620	2.6
273.04102	1.9
279.02856	0.8
281.04410	1.0
282.01648	1.1
283.02505	3.7
284.03024	0.9
285.04144	2.5
287.05609	22.7
288.06067	2.3
289.07224	5.0
295.05960	1.1
297.04077	3.1
299.05664	1.8
303.05231	2.0
305.06708	19.2
306.07120	0.8
329.06616	1.3
331.08231	0.8
357.06244	1.4
363.05188	0.9
383.07294	0.8
387.05334	1.2
405.06201	3.0
407.07898	3.7
413.08905	5.5
414.09128	1.1
423.07239	20.7
424.07526	3.3
425.08829	2.3
441.08365	2.7
449.08752	3.0
450.08881	1.2
451.10480	1.6
465.08301	1.4
467.09872	7.5
468.10339	1.0
525.08063	0.9
533.10486	0.9
541.08008	1.9
543.09442	1.6
559.09027	1.2
561.10016	0.9
575.12030	4.5
576.11932	1.2
585.10449	1.8
591.11279	1.2
593.13062	7.7
594.13348	1.6
695.13947	2.5
711.13544	3.1
729.14807	1.2
755.16156	1.1
881.19366	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
70.59226	1.8
75.56239	1.0
81.03493	0.8
81.25673	0.9
83.01392	3.3
93.03468	3.1
95.01409	1.2
95.05093	1.5
97.02959	1.6
105.03497	1.0
107.05054	1.9
109.02954	12.8
121.02967	6.0
123.04526	6.9
125.02456	100.0
126.02814	2.8
131.05069	0.9
133.02966	5.2
135.04407	1.0
137.02469	17.1
138.02843	0.9
139.04012	3.4
143.05022	1.4
145.03011	0.9
147.04543	1.1
149.02429	6.6
149.06123	1.0
151.04021	12.5
159.04520	2.7
161.02463	19.3
161.06096	2.1
161.75916	0.8
162.03006	2.1
162.20622	1.0
163.00404	3.2
163.04036	5.7
164.01213	5.0
165.01904	7.0
167.03514	4.1
173.06044	1.1
175.04028	17.5
176.01147	1.4
177.01941	58.1
178.02348	3.8
179.03497	2.5
185.02451	0.9
187.04047	4.9
188.04808	1.7
189.01935	2.5
189.05486	1.1
190.02620	1.0
191.03525	3.1
193.05115	1.4
199.04068	4.6
201.02000	1.4
201.05579	1.4
203.03630	2.1
203.07185	3.7
204.32208	0.9
205.01431	1.7
205.05113	3.6
211.03931	1.8
213.05682	1.1
214.02715	1.1
215.03506	1.7
217.01430	1.8
217.05032	6.9
219.03114	5.5
219.06613	0.9
227.03542	3.0
229.05083	2.9
231.03006	1.4
231.06490	0.8
241.05078	1.2
243.03014	23.4
243.06659	1.1
244.03499	1.6
245.04605	4.9
245.08163	5.2
247.06099	1.1
253.05215	1.3
255.03008	8.4
256.03732	3.8
257.04504	2.6
261.04071	11.6
269.04559	3.3
273.04071	2.4
281.04556	1.6
283.02444	1.5
285.04031	2.5
287.05612	14.6
288.06180	1.3
289.07208	23.8
290.07559	2.8
303.05099	9.9
305.06677	4.6
315.05261	1.7
315.08679	1.5
327.05203	1.1
339.08871	1.8
341.06448	1.3
381.09958	1.0
391.04941	1.2
405.06024	2.3
407.07724	24.8
408.07993	4.0
413.08917	5.5
414.09171	1.6
421.05533	1.5
423.07361	4.0
424.07428	1.2
425.08810	10.3
426.08975	1.5
439.06830	1.4
449.08957	1.2
451.10107	1.8
465.08359	3.5
467.09796	5.2
525.08429	2.4
543.09448	4.7
544.09595	1.1
561.10236	3.0
575.12592	2.2
577.13269	1.8
587.12207	1.4
591.11255	2.5
593.13092	9.4
672.63257	1.0
693.12256	1.2
695.14227	3.0
711.13916	3.3
729.15149	1.5
881.19360	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
69.11942	5.0
81.03480	1.2
83.01405	2.7
93.03458	1.9
95.05028	1.2
97.02941	1.7
105.03455	1.7
107.05060	1.4
108.02147	1.5
109.02959	11.1
111.49583	0.8
117.03465	1.4
121.02983	5.7
123.04534	9.5
124.01682	1.1
125.02456	100.0
126.02777	3.6
131.05023	1.9
133.02998	4.3
135.04515	2.6
137.02460	14.7
139.03979	2.1
147.04449	1.1
148.36432	0.9
149.02428	8.0
151.04021	14.3
159.04524	2.4
161.02460	14.5
161.06079	1.9
162.03235	1.3
163.00372	1.8
163.04030	5.9
164.01196	5.1
165.01921	7.7
167.03497	2.1
174.03210	0.8
175.04018	13.0
176.01170	1.8
177.01941	66.5
178.02301	2.9
179.03534	2.0
185.06020	1.2
187.04062	5.7
188.04781	1.6
189.01958	2.5
190.02745	1.1
191.03523	2.8
193.05127	1.4
199.04005	2.6
201.02019	1.2
201.05658	1.9
202.06099	0.8
203.03476	2.5
203.07153	3.5
205.01315	1.6
205.05070	3.9
211.03929	2.0
214.02745	1.0
215.03426	1.2
217.01454	1.3
217.05046	8.2
219.02992	5.5
219.06505	1.4
225.05565	1.0
227.03511	2.0
227.07159	1.1
229.05011	3.2
231.02948	2.1
243.02982	19.4
245.04507	3.0
245.08220	6.1
255.03064	9.4
256.03748	3.4
257.04382	2.0
261.04056	10.7
269.04590	2.2
273.04025	2.3
281.04523	1.8
283.02496	2.1
285.04074	2.6
287.05667	11.4
289.07172	32.1
290.07529	2.8
297.07770	1.2
303.05115	12.5
315.05203	2.1
315.08752	2.2
339.08798	3.5
341.06671	1.7
346.67178	1.1
353.06879	1.0
381.10080	1.7
391.04419	2.0
395.07605	1.2
407.02478	1.9
407.07700	28.8
408.08221	3.1
413.08801	11.1
414.09189	2.2
421.05560	2.4
423.07138	1.9
425.08826	15.0
426.09122	1.3
435.06686	1.1
439.06659	1.4
441.08856	1.3
449.08844	1.6
465.08411	3.4
467.09668	5.5
468.10004	1.3
525.07953	2.1
543.09283	5.1
544.09735	1.2
561.10419	2.8
575.12006	1.3
587.11761	2.1
591.11438	3.9
593.12982	13.7
594.13037	2.5
695.13464	2.6
711.13525	4.7
712.14001	1.4
713.15088	3.3
755.18152	1.2
881.19385	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	885.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	46.7
65.76732	4.2
69.03546	38.6
71.73898	4.8
80.96508	4.5
89.28034	4.7
98.21814	10.3
109.02919	4.8
111.04544	40.0
113.06026	4.3
113.09741	10.9
125.05994	5.2
134.12459	4.5
148.38812	4.7
151.07652	9.6
158.24605	5.7
165.09238	8.2
179.07153	6.4
181.08713	40.7
183.06725	7.4
195.06607	17.1
199.64513	4.3
207.06587	12.7
209.08206	25.1
225.07758	5.2
313.06509	5.8
361.98489	4.6
373.59912	5.6
379.11890	5.7
397.13196	8.1
405.09665	7.1
409.12323	5.5
421.12732	7.2
423.10986	13.7
425.12442	11.4
427.19650	7.3
433.59384	5.3
437.12268	10.3
449.15918	19.2
453.11954	6.7
475.13959	20.6
493.15033	11.4
517.14716	7.0
536.17316	4.6
543.20319	8.6
547.19202	13.7
569.18097	10.1
587.19769	13.2
605.20392	28.3
641.24084	5.8
649.19257	48.0
650.19702	9.7
659.25067	14.9
703.23999	28.0
704.24567	12.2
798.36133	6.0
885.33026	100.0
885.46356	6.1
886.33246	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	885.4798
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	4.2
69.04785	4.0
69.05199	8.4
79.84722	1.3
109.02991	2.4
121.33170	1.3
123.00932	3.5
124.01664	3.4
137.02472	2.0
138.03246	8.9
145.02962	2.6
147.04526	1.9
151.00436	1.7
153.05617	4.1
159.04565	2.5
161.02472	1.9
165.01950	4.3
166.02748	1.6
171.04474	2.4
173.02481	1.6
175.04070	2.1
180.04341	2.1
195.06621	2.7
199.04094	2.2
199.84636	1.6
201.05721	1.6
211.04102	3.3
227.03500	8.5
229.05139	4.2
239.03499	3.6
244.03731	2.2
245.04564	4.1
255.03046	6.4
257.04483	3.0
258.05341	1.6
259.06137	2.0
260.06885	7.1
267.06439	1.7
270.05475	3.1
272.03357	4.5
273.04053	8.1
273.07260	1.6
275.09341	4.5
285.04068	2.0
287.05582	7.6
288.06427	16.1
295.06146	1.7
303.08890	5.8
310.08475	1.4
325.11133	2.7
332.13507	1.6
351.08838	4.9
369.09875	1.7
629.38403	5.2
825.46442	6.5
867.46637	2.9
885.47906	100.0
886.48230	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	885.4864
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05844	0.2
68.99830	0.2
69.03456	1.0
71.01388	15.8
71.28012	0.2
71.28397	0.3
72.01711	0.3
72.99306	1.4
73.02947	2.1
75.00877	0.4
80.02672	1.3
81.03455	2.3
83.01391	2.2
83.05033	5.9
84.02182	0.5
85.02959	4.0
87.00887	4.3
87.04533	0.3
89.02454	15.1
93.03479	0.3
95.01410	1.1
95.05047	0.8
97.02946	2.6
99.00890	1.0
99.04532	0.3
101.02453	12.2
107.05067	0.4
109.02975	0.6
109.06618	0.4
111.00882	0.5
111.04507	0.5
113.02460	7.5
115.04014	0.5
119.03510	3.7
121.02978	0.6
125.02459	6.0
125.06055	0.4
131.03514	0.5
135.08194	0.6
137.02505	0.3
138.51015	0.2
139.03979	0.4
139.07709	0.2
141.01962	0.5
143.03503	2.5
145.05119	0.4
147.11824	0.3
149.04576	0.4
161.04564	2.9
163.10057	0.4
163.11319	4.3
165.12862	2.5
165.83447	0.2
167.03519	0.4
171.22113	0.2
173.02881	0.2
179.05617	3.7
179.26166	0.2
181.04990	0.2
181.12344	0.6
191.10747	1.0
199.06154	0.5
209.11841	100.0
210.12183	6.0
217.07164	0.8
219.05121	0.3
221.06731	1.3
227.12891	11.9
228.13199	0.7
235.08229	5.3
245.06705	0.3
251.12990	0.3
253.09381	0.9
259.07959	0.3
259.20535	0.2
263.07657	0.4
275.20050	0.3
277.21732	50.2
278.22119	4.3
287.07651	1.6
291.23236	0.5
305.08762	1.8
323.09894	0.9
361.11307	0.4
379.12448	5.2
380.12625	0.3
397.13519	33.5
398.13779	2.6
415.14575	8.9
415.20242	0.3
416.14920	0.7
539.79596	0.3
545.35107	0.2
569.40729	0.3
607.26019	0.6
675.35785	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4892
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	0.1
68.99833	0.4
69.03456	1.2
69.31909	0.3
71.01385	15.0
71.05009	0.3
72.99313	1.3
73.02953	2.3
75.00880	0.3
79.01607	0.1
80.02692	1.3
81.03463	2.2
83.01393	2.1
83.05031	5.8
84.02165	1.1
85.02476	0.2
85.02959	3.2
86.00115	0.2
87.00880	3.9
89.02450	12.8
91.04008	0.4
93.03463	0.3
95.01404	1.0
95.05023	1.0
97.02961	2.4
97.06631	0.3
98.21828	0.3
98.41243	0.2
99.00906	0.7
99.04537	0.2
101.02448	10.5
102.02753	0.2
109.02964	0.3
109.06590	0.6
109.94633	0.1
110.09885	0.2
111.00839	0.3
111.04520	0.4
111.08164	0.3
113.02455	6.4
114.02725	0.2
119.03521	3.3
121.02946	0.2
123.00866	0.2
123.04522	0.2
124.01648	0.2
125.02459	5.3
125.06100	0.6
125.09729	0.4
127.07732	0.2
130.31819	0.1
131.03539	0.5
133.05080	0.3
135.08168	0.7
137.02425	0.2
139.04010	0.4
139.07570	0.2
141.01961	0.2
143.03503	2.3
145.10237	0.2
147.11824	0.3
149.02531	0.2
149.04552	0.4
161.04561	2.9
163.11304	4.4
164.11575	0.2
165.12854	2.9
165.14149	0.3
166.13292	0.2
167.03392	0.3
169.05000	0.2
173.46318	0.1
179.05609	3.6
181.05038	0.2
181.12398	0.6
185.04517	0.2
191.10741	1.3
199.06059	0.3
199.13327	0.2
203.05739	0.2
209.11836	100.0
210.12161	5.9
217.07158	0.6
219.04977	0.2
221.06662	1.4
223.13362	0.2
225.11348	0.3
227.12895	10.0
228.13272	0.5
233.11888	0.3
235.08223	4.7
245.06735	0.3
251.12921	0.6
253.09261	0.8
259.08237	0.3
259.20694	0.2
263.07736	0.4
264.62457	0.1
275.20172	0.3
277.21732	38.8
278.22067	3.6
284.82996	0.2
287.07703	1.3
301.09195	0.2
305.08838	1.7
323.09824	0.7
361.11542	0.3
379.12482	4.2
380.12830	0.4
397.13522	25.7
398.13812	1.7
404.40991	0.2
415.14615	6.6
416.14969	0.6
589.24939	0.2
607.25885	1.1
615.92621	0.2
786.18750	0.2
885.47052	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.6984
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	4.2
68.99455	1.8
80.96512	0.4
84.01355	0.2
109.07392	0.2
134.86205	0.2
183.06549	0.3
209.08032	0.2
369.13248	0.3
377.79276	0.2
429.33749	14.3
430.34116	2.0
442.23160	0.3
443.00409	0.2
443.23514	0.3
455.35333	100.0
456.35693	15.8
516.20813	0.3
589.16602	0.2
695.23840	0.3
703.85095	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.541
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98841	1.6
65.25759	1.5
71.30068	2.4
75.98816	1.5
87.05641	2.6
103.00484	9.4
103.01501	100.0
122.69135	1.5
129.10350	8.2
163.87085	1.8
164.09497	2.3
165.10400	2.6
170.99800	1.5
197.16475	1.6
207.15021	6.8
225.16055	3.1
242.18701	5.1
259.14395	2.2
295.21481	5.0
328.37756	1.5
337.26050	3.7
389.58524	1.6
612.51959	2.0
782.51843	72.7
783.52545	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	889.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
63.78479	0.5
68.98911	3.5
79.95746	32.3
80.96510	1.1
93.84564	0.5
96.96021	1.8
109.02962	0.8
109.50499	0.5
121.02974	5.9
123.04539	0.5
125.02449	2.3
135.04564	0.7
136.01662	0.6
137.02408	1.1
148.05348	0.6
149.06061	0.8
150.03217	0.4
151.03995	0.8
163.07616	1.3
164.04793	1.1
166.06369	56.3
167.03587	0.5
167.06700	2.4
169.01482	0.9
179.07195	1.8
181.08725	49.8
182.09074	2.5
226.64908	0.5
229.01686	1.2
243.03279	4.7
257.96790	0.4
259.02789	1.5
277.59256	0.5
301.03735	0.5
378.98807	0.6
441.12274	100.0
442.12598	11.5
572.24988	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4384
Annotation	Unknow
Peak:m/z	Relative Intensity
62.13291	0.4
62.18510	0.5
62.79913	0.4
64.07835	0.5
65.00326	0.9
75.23394	0.5
76.18644	0.5
81.03454	4.5
83.01406	1.0
101.79492	0.5
109.03011	0.8
109.06593	2.4
109.35847	0.5
111.04501	3.4
113.09763	1.2
122.03740	1.0
123.08170	2.6
125.02453	5.8
125.06073	2.2
127.07706	0.6
133.06619	1.1
135.08165	0.6
136.05310	1.1
137.02449	4.0
139.04054	0.6
139.40634	0.6
149.95413	0.5
151.00406	1.7
151.07654	24.5
152.07957	0.9
165.09222	20.4
166.09566	1.0
167.07158	0.9
177.05618	1.1
179.07088	0.7
181.08717	7.3
182.08875	0.7
189.05595	0.9
191.07146	1.0
195.06633	100.0
196.06990	4.7
205.08685	0.7
207.06631	19.2
208.07333	4.8
209.08195	88.2
210.08513	4.1
219.14001	0.5
221.08208	12.0
222.08484	0.8
233.08183	1.3
249.11302	6.1
263.12869	6.6
264.13162	0.5
275.12772	0.8
314.34372	0.6
357.16977	0.9
401.16095	6.8
402.16254	0.9
417.15509	6.1
418.15863	0.9
429.19122	0.8
431.20758	51.1
432.21103	6.5
435.46698	0.5
444.21634	5.3
445.22314	58.4
446.22702	7.2
606.98413	0.6
653.29883	3.9
654.30695	0.8
692.71606	0.6
769.71069	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.1579
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02395	0.3
65.00325	1.1
67.28244	0.3
71.01041	0.4
71.01384	3.6
72.99295	0.6
73.02943	0.4
83.01394	0.9
85.02957	5.5
87.00866	1.1
89.02458	0.7
89.36382	0.4
90.15868	0.3
93.03461	1.4
95.01388	1.3
99.00888	1.8
103.00398	0.7
107.01387	1.9
108.02176	1.1
109.02953	1.4
113.02461	8.2
115.00397	0.4
117.01953	0.6
117.76797	0.4
119.54646	0.4
121.02962	1.2
123.00916	0.3
125.02456	0.6
129.01953	0.7
132.98656	0.3
135.00885	1.1
135.26984	0.3
143.04987	0.8
145.02956	0.5
148.01659	0.9
151.00365	5.6
157.06607	0.4
159.04524	0.8
163.00372	2.7
163.81500	0.4
164.01164	0.9
165.02011	0.6
171.04547	0.6
173.06009	0.4
175.02501	3.7
175.04028	0.6
178.99860	2.4
182.58640	0.3
183.04605	0.5
185.06064	1.8
186.94757	0.3
187.04034	2.7
189.05540	0.6
192.00726	0.4
195.04538	0.5
197.06108	0.5
199.03964	0.7
201.05548	0.9
211.03972	1.9
213.05443	1.7
215.03516	0.5
226.02809	0.9
227.03561	3.9
229.05063	7.2
229.22623	0.4
239.03522	1.0
240.04268	0.8
241.05069	1.1
243.03027	6.7
244.03281	0.9
245.04593	0.4
254.02254	1.5
255.03004	17.3
256.03516	1.8
257.04568	3.8
267.02881	0.4
271.02493	37.2
272.02914	3.9
283.02484	0.6
285.04062	64.3
286.04398	5.3
299.02017	1.0
300.02771	88.4
301.03418	23.5
302.03879	1.4
433.07782	100.0
434.08087	12.0
444.13370	0.4
461.07275	21.1
462.07721	3.0
626.40619	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03463	0.9
69.05798	4.4
81.03474	1.1
83.01388	3.6
93.03445	0.9
95.01397	1.4
95.05051	1.0
96.96000	0.8
97.02950	2.0
105.03461	1.9
107.01406	1.0
107.05000	1.5
108.02187	0.7
109.02954	8.2
111.04507	0.6
121.02954	2.6
123.00904	2.2
123.04514	2.3
124.01684	1.4
125.02457	100.0
126.02821	4.5
131.05025	0.9
133.02951	3.8
135.00894	0.8
135.04506	1.8
137.02461	10.6
139.04016	2.9
143.05031	0.7
145.02956	1.2
147.04578	0.7
149.02455	4.3
150.03168	0.6
151.04007	6.6
159.04543	3.8
161.02454	31.4
161.06071	1.0
162.03008	2.1
163.00336	1.5
163.04031	2.9
164.01106	3.0
164.04211	0.6
165.01959	4.1
166.02756	0.7
167.03548	5.7
167.04832	1.1
168.03845	0.9
169.01440	16.4
169.06638	1.1
171.04587	1.0
173.02444	0.7
173.06148	1.4
174.03278	0.9
175.00525	1.0
175.04025	9.9
176.01050	0.6
177.01947	18.0
177.05525	3.0
178.02376	1.3
179.03534	1.8
181.06531	0.7
183.04514	2.0
185.02489	0.9
187.04008	2.4
188.04453	0.6
189.01917	0.8
191.03545	1.3
193.01433	2.1
197.06111	1.7
199.03987	4.8
200.04634	0.7
201.01984	2.6
201.05629	4.7
202.97928	0.6
203.03450	2.9
203.07124	0.8
205.05066	1.2
211.04002	1.1
213.01929	0.7
213.05565	1.0
214.02763	0.8
215.03494	1.2
217.05063	5.4
219.03001	1.6
219.06638	1.8
221.04533	1.6
223.04051	0.7
223.07671	0.6
225.05510	4.7
227.03517	4.2
229.01421	2.0
229.04979	2.2
229.75725	0.6
231.02968	1.4
237.55698	0.6
239.03581	1.3
241.05109	3.0
242.05856	0.7
243.02998	10.8
243.06627	1.9
244.03441	1.2
245.04536	8.0
245.08281	1.1
246.04855	0.7
251.03474	0.9
253.05072	1.7
255.02948	6.2
256.03690	1.9
257.04483	3.5
261.04068	2.1
267.03079	1.2
268.03986	0.7
269.04550	28.7
270.04974	2.5
271.02972	0.7
271.06268	1.8
273.04037	1.9
281.04520	1.6
283.02597	2.9
283.05710	0.7
285.04059	5.2
287.05603	21.5
288.02792	0.8
288.05957	1.3
289.07230	3.8
297.03976	4.0
298.04678	0.8
299.05637	1.6
300.99954	1.8
303.05240	2.4
305.06699	8.2
306.07010	0.8
309.04401	1.1
309.07611	1.1
311.05524	1.3
313.03506	1.8
313.07068	1.1
319.05533	0.6
337.07162	1.5
339.05106	0.9
379.08313	2.4
386.91614	0.6
387.04819	0.8
387.16696	1.3
392.04776	0.6
395.07721	4.1
405.06082	3.6
406.06534	1.0
407.07721	6.9
408.08475	0.6
423.07239	45.6
424.07574	4.4
431.07581	3.1
432.07889	0.7
435.07278	2.3
436.07358	0.7
439.06689	1.0
441.08246	1.7
447.07211	1.4
449.08719	7.5
457.07932	1.0
457.47971	0.6
465.08191	0.9
467.10129	1.8
513.11908	1.2
557.11029	8.4
558.11365	1.8
559.09540	0.7
575.12103	18.4
576.12445	3.1
577.10443	0.7
593.13116	6.4
594.13361	1.4
619.10840	1.5
727.12769	2.5
728.13531	1.0
745.14398	3.8
746.14343	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
70.50797	0.8
79.01923	0.9
81.03477	1.5
83.01398	3.8
83.62733	0.7
93.03464	3.7
95.01375	1.4
95.05048	1.1
97.03005	1.9
98.22581	1.4
107.05038	0.7
109.02972	10.3
111.04475	0.8
119.05055	0.9
121.02943	7.0
123.00871	2.0
123.04526	3.4
124.01693	2.4
125.02461	100.0
126.02805	3.9
127.14194	1.0
131.04988	1.3
133.02972	4.0
135.04584	1.3
137.01457	1.5
137.02452	18.9
138.03183	0.9
139.04019	6.9
145.03033	0.7
147.04474	0.9
149.02452	8.5
151.04013	9.6
159.04546	2.1
161.02460	10.6
161.06137	0.8
162.02971	1.2
163.00409	2.7
163.04002	3.9
164.01212	5.4
165.01942	9.9
166.02534	1.1
167.03514	8.4
174.03224	0.7
175.04031	14.2
176.01137	2.0
177.01945	69.2
178.02335	5.0
179.03529	3.8
187.03938	4.0
188.04509	0.9
189.01958	2.4
189.05580	1.2
190.02634	1.4
191.03522	3.9
193.05023	2.1
199.04030	4.4
201.01999	0.9
201.05643	1.2
203.03497	2.7
203.07118	1.3
205.01505	1.3
205.05083	1.8
211.04071	1.8
213.05598	1.0
215.03545	2.1
217.01495	2.1
217.05096	7.4
219.02985	6.5
219.06668	2.8
221.04568	2.1
227.03546	2.3
228.04286	1.5
229.05019	3.4
231.02994	2.4
241.05029	0.8
243.02995	23.4
243.06686	1.6
244.03380	2.6
245.04486	3.4
245.08185	1.3
255.02989	9.5
256.03616	3.0
257.04449	2.3
259.06064	1.0
261.04037	12.2
262.04279	0.8
269.04636	2.4
273.04053	2.7
282.01828	0.9
283.02505	4.6
285.04016	2.9
287.05585	7.2
289.07248	8.7
297.04019	2.4
303.05112	16.8
304.05499	1.4
305.06702	23.9
306.07056	2.2
315.04977	2.1
337.03271	0.8
341.06570	1.0
347.86362	0.9
391.04483	1.6
405.06003	1.0
407.07880	6.8
413.08795	5.9
421.05640	2.3
423.07205	22.9
424.07608	1.8
425.08823	3.4
426.08594	0.9
429.08215	1.4
439.06818	3.2
441.08292	5.5
442.08691	1.2
447.07553	0.9
465.08221	2.2
467.09937	2.3
483.09448	4.7
525.08307	1.9
531.94470	1.0
541.07861	2.7
543.09192	2.6
559.09094	3.1
561.10406	3.3
562.10504	0.8
573.10767	0.8
577.10101	0.9
585.09814	1.0
591.11536	4.5
592.12579	1.1
593.12811	2.1
603.11395	1.4
609.12256	6.8
610.12946	1.5
711.13550	4.1
727.12738	2.6
728.13312	0.9
729.14423	2.9
771.14423	1.0
897.19287	1.4
912.61359	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01905	1.2
69.03460	1.3
69.31965	1.2
69.44023	1.3
69.44328	5.9
81.03461	1.3
83.01407	3.7
90.53091	1.1
93.03487	3.5
95.01343	1.1
97.02963	1.9
107.05051	2.1
109.02950	11.3
117.03463	1.3
121.02956	5.6
123.00864	2.5
123.04546	3.2
125.02456	100.0
126.02773	2.9
131.05077	1.9
133.03001	4.5
135.04483	1.5
137.02458	18.4
139.04036	5.6
149.02458	7.3
151.04012	10.0
159.04518	1.9
161.02458	9.2
163.00391	2.1
163.04031	4.4
164.01204	4.4
165.01932	6.4
167.03552	7.1
173.06133	1.5
175.04033	14.1
176.01190	1.5
176.56256	1.1
177.01942	73.0
178.02318	2.8
179.03528	5.5
187.04010	3.9
188.04788	1.2
189.01993	4.0
191.03473	3.1
199.04007	4.7
201.01862	1.8
203.03549	2.2
203.07065	1.3
205.01485	1.4
205.05078	2.6
211.03990	2.0
215.03531	2.5
217.01382	2.6
217.05083	6.8
219.02982	7.6
219.06523	1.4
221.04602	2.2
227.03481	3.0
228.04283	2.1
229.05046	3.0
231.02959	1.6
231.06493	1.5
243.02959	26.1
244.03488	3.6
245.04570	2.9
245.08163	2.3
255.03043	10.9
256.03699	2.0
257.04514	1.7
259.06186	1.8
261.04004	16.6
261.06967	1.6
269.04556	2.1
273.04028	4.1
283.02612	6.3
285.04016	3.0
287.05634	8.0
289.07196	11.6
290.07538	1.3
297.04135	4.4
303.05154	18.7
304.05606	1.5
305.06750	24.8
306.06989	2.1
309.80090	1.3
312.20795	1.2
313.03482	1.6
315.05048	3.4
315.99887	1.3
339.08463	1.3
343.04453	2.3
355.04538	2.0
355.08612	1.7
391.04510	1.5
395.08090	1.2
407.07733	8.4
413.08884	6.7
421.05545	2.9
423.07233	20.3
424.07410	2.8
425.08896	3.7
429.08456	3.9
439.06616	4.5
441.08301	6.9
465.08414	3.1
467.09750	2.5
481.07843	4.5
483.09323	4.6
525.08484	1.8
533.09698	1.3
541.07898	2.9
543.09277	4.5
559.08698	3.5
561.10461	4.0
577.10431	1.5
585.10510	2.3
591.11304	3.9
593.12939	2.4
603.12097	1.6
609.12640	6.1
711.13281	5.3
727.13037	2.8
729.14557	2.8
771.14948	1.4
897.19775	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
66.81245	0.9
66.84724	1.0
69.03445	1.0
79.01945	1.0
81.03473	3.1
83.01395	3.6
93.03481	3.4
107.05022	2.1
109.02954	9.3
111.04527	1.4
117.03476	1.0
119.04983	1.3
121.02931	5.2
123.00907	1.7
123.04554	3.0
124.01698	1.9
125.02455	100.0
126.02801	4.0
131.05025	1.9
133.02977	4.3
135.04482	1.7
137.02449	19.3
137.03409	1.8
139.04037	6.8
147.04544	0.9
147.35017	1.1
149.02460	8.3
149.06081	1.2
151.04045	12.6
158.03812	0.9
159.04495	3.0
161.02449	15.5
162.03111	1.2
163.00423	2.5
163.04039	3.7
164.01151	6.1
165.01955	10.6
167.03490	8.5
173.02432	1.0
175.04002	15.4
176.01089	1.8
176.04475	1.2
177.01935	55.4
177.05472	2.3
178.02309	3.6
179.03481	5.4
183.04588	1.1
185.06065	1.1
187.03978	3.0
189.01921	2.1
191.03549	2.4
193.05023	1.5
199.03999	7.4
200.04536	1.0
201.01993	2.4
201.05586	1.5
203.03572	1.3
204.04250	1.3
205.01572	2.4
205.05124	1.6
211.04150	1.5
215.03519	2.5
217.01344	1.2
217.05069	8.7
219.03029	3.9
219.06625	3.7
221.04559	1.2
225.05560	1.3
227.03525	2.4
229.05078	1.4
231.02931	1.2
233.04646	1.3
241.05139	1.2
243.02962	30.2
244.03365	1.9
245.04570	6.7
245.08281	1.8
247.02417	1.2
255.03015	9.4
256.03680	3.4
257.04581	2.0
259.02618	1.5
261.03995	13.1
269.04617	4.2
271.06143	1.4
273.04272	1.3
283.02530	5.9
285.04010	2.4
287.05588	10.6
289.07169	4.3
297.04123	3.3
299.05585	2.8
303.05118	13.8
304.05423	1.3
305.06726	19.0
306.07031	1.4
335.05850	1.2
387.05048	1.8
391.04556	1.9
405.06308	7.1
407.07642	3.6
423.07144	21.9
424.07672	3.3
425.08664	2.4
429.08145	3.5
441.08328	2.7
465.08224	3.3
467.09998	10.5
541.07581	5.0
543.09009	2.6
559.09094	5.2
577.09528	1.4
591.11603	4.6
592.12030	1.2
593.12732	6.8
594.13196	1.6
601.09662	1.5
647.39044	1.1
711.13660	7.5
712.14209	1.7
727.12579	1.3
729.13702	1.5
862.63513	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
69.67938	3.9
75.14246	1.1
80.52679	1.1
81.01480	1.1
81.03475	1.9
83.01390	3.6
92.27677	1.1
93.03476	1.9
95.01402	2.7
97.02951	1.8
104.54900	1.0
105.00780	1.1
107.05013	2.1
109.02962	13.1
110.03309	1.0
119.05031	1.2
121.02969	5.2
123.00906	1.5
123.04549	4.8
124.01734	1.2
125.02458	100.0
126.02827	3.1
131.05049	2.5
133.02972	3.5
137.02463	21.1
139.04034	6.0
145.02983	1.7
149.02466	9.3
149.06004	1.5
151.04024	12.4
156.36494	1.0
159.04564	1.6
161.02477	10.2
163.00398	3.1
163.04047	4.1
164.01170	5.7
165.01949	9.2
167.03522	8.2
168.99995	1.2
169.01389	2.1
173.06079	1.4
175.00362	1.9
175.04024	17.4
176.04442	1.7
177.01945	81.7
177.05431	2.4
178.02267	6.0
179.03564	4.7
183.04671	1.4
187.03925	5.7
189.02040	1.8
189.05672	1.7
190.02644	1.5
191.01892	1.2
191.03549	2.9
193.05104	1.3
194.64107	1.3
199.04012	5.0
201.01978	1.2
203.03569	2.8
203.07285	2.6
205.01407	1.7
205.04945	2.5
217.01556	1.6
217.04997	9.4
218.05470	1.1
219.02951	6.7
219.06598	2.6
221.04375	1.5
227.03506	2.9
229.05229	2.5
231.02983	2.3
232.03416	1.1
233.04521	1.2
235.06105	1.5
241.04982	1.3
243.02995	33.1
244.03477	3.1
245.04527	4.3
245.08139	1.8
255.02998	11.7
256.03745	3.5
257.04489	3.3
258.01462	1.1
259.02554	1.9
261.04071	14.0
269.04507	3.1
271.05856	1.5
273.04077	2.3
281.04681	2.8
283.02539	5.3
285.04044	5.1
287.05658	8.2
289.07159	11.3
290.07303	1.6
293.04639	1.5
295.02292	1.7
297.04019	3.2
300.99796	1.3
303.05093	19.4
304.05554	1.9
305.06802	16.4
306.06937	2.7
309.04230	1.4
315.05182	2.6
323.24673	1.1
343.04614	1.6
391.04645	2.2
405.06149	2.1
407.07874	10.7
408.08151	2.2
413.08829	3.3
421.05850	2.7
423.07196	18.3
424.07745	3.0
425.08780	5.1
429.08240	2.3
435.07361	1.3
439.06866	2.0
441.08478	5.4
465.08203	2.8
467.09781	5.9
481.07605	6.0
483.09082	2.7
525.08472	1.8
541.07916	4.3
543.09302	5.0
559.09009	4.7
561.10419	3.5
591.11627	3.1
593.12891	6.2
603.11035	2.3
609.12372	5.5
711.13409	9.5
712.13190	3.4
729.15143	2.5
897.18799	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.4626
Annotation	Unknow
Peak:m/z	Relative Intensity
69.18318	12.0
69.46597	34.6
69.47008	26.4
71.01384	20.4
79.44429	9.5
88.20600	11.6
89.02473	17.1
107.84245	9.6
109.06599	22.9
110.12532	9.9
111.40224	11.2
116.92863	12.2
133.57648	13.0
161.04390	9.7
163.11339	14.1
167.07124	22.4
195.02199	10.1
207.10266	87.4
209.08284	11.2
225.11485	50.8
255.23271	46.7
262.31177	11.8
320.39484	10.8
397.13412	59.5
415.14648	15.3
488.42520	12.6
501.27557	11.5
587.23029	14.4
605.24597	21.5
623.25830	15.9
754.01593	11.9
861.48181	100.0
862.47717	15.5
897.46521	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	897.4623
Annotation	Unknow
Peak:m/z	Relative Intensity
69.26847	24.1
71.01380	19.8
72.99323	4.4
79.57671	3.3
85.02945	4.5
87.00921	6.3
89.02453	13.4
89.69260	4.1
97.02952	6.9
101.02451	16.1
102.05877	4.2
109.06622	19.4
113.02467	10.9
117.09025	3.8
125.02479	8.8
152.64803	3.9
161.04576	5.8
163.11276	10.8
169.23238	4.1
179.05554	5.9
183.85696	3.6
201.88705	3.7
207.10284	76.0
225.11382	32.8
235.08159	6.5
255.23309	60.9
286.18814	4.2
319.99875	3.8
379.12460	8.9
397.13522	86.2
398.13846	6.3
415.14578	16.8
455.35223	11.8
581.10278	3.8
605.24353	7.0
623.25562	8.5
635.36157	4.9
653.37421	13.1
861.48584	100.0
862.48865	25.1
896.47156	4.6
897.46313	36.1
897.61310	7.3
898.45819	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	897.6981
Annotation	Unknow
Peak:m/z	Relative Intensity
63.63575	0.2
68.07475	0.2
69.06697	1.4
85.15353	0.2
98.22524	0.4
137.44290	0.2
174.40923	0.2
407.33273	0.6
455.35321	100.0
456.35654	14.7
573.47101	0.2
887.41144	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.6988
Annotation	Unknow
Peak:m/z	Relative Intensity
66.90757	0.7
69.25695	0.8
69.35208	4.6
79.27126	0.7
85.87038	0.8
96.96032	2.0
98.21722	0.9
118.72865	1.0
455.35342	100.0
456.35675	15.7
537.31592	1.0
575.13922	1.0
582.76404	0.9
617.64105	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.4547
Annotation	Unknow
Peak:m/z	Relative Intensity
65.64211	0.2
69.15976	1.3
73.02966	0.4
97.96664	0.2
98.21838	0.5
99.92591	12.1
100.92583	0.5
106.98219	0.2
108.40761	0.2
114.93441	0.6
116.92870	100.0
117.01952	0.6
117.92878	4.4
123.52680	0.2
131.91599	0.3
139.14215	0.2
159.11714	0.2
170.43620	0.3
174.17763	0.2
471.34448	0.3
585.57758	0.2
782.51642	0.4
821.93347	0.2
893.40588	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
63.45895	0.3
79.95742	6.9
85.07813	0.3
96.96017	100.0
98.95608	1.0
98.96427	0.4
107.65682	0.3
109.02958	0.3
110.97618	0.7
121.02967	0.5
123.04545	0.4
125.02456	1.4
125.32360	0.3
137.02434	0.7
151.04095	0.4
163.03908	0.4
164.24399	0.3
165.01923	0.4
169.01369	0.5
177.01936	0.8
179.03514	0.4
242.97661	0.3
243.03044	0.3
269.08249	1.6
274.16971	0.3
299.09293	1.0
314.11765	1.5
315.12106	0.5
345.05695	0.4
439.10696	61.3
440.11026	7.1
441.10727	1.4
513.13971	0.4
622.33258	0.3
625.95544	0.3
666.84558	0.5
833.28973	0.4
872.53522	0.4
934.70227	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00327	1.2
65.55179	0.9
69.24767	5.3
69.25169	1.9
71.01376	0.9
83.01400	2.2
87.12103	1.0
89.95122	0.9
93.03471	0.9
95.01405	1.2
95.05021	1.1
97.02943	1.6
98.21844	2.0
107.01387	3.2
109.02956	8.4
121.02977	2.4
123.00890	2.1
123.04543	3.4
125.02454	52.2
126.02792	1.4
135.04572	1.5
135.70668	1.0
137.02452	7.3
139.00372	0.9
139.04028	3.6
145.02998	1.2
149.02446	2.6
151.00343	7.6
151.04012	5.1
159.04562	1.1
161.02472	2.6
161.06000	1.5
163.00386	2.5
164.01216	1.3
165.01884	2.1
166.99905	1.7
169.01437	81.6
170.01794	2.7
178.99844	3.8
179.03491	2.7
187.03998	1.9
193.01462	2.5
203.07104	4.3
205.05081	2.1
211.04065	1.2
227.03529	2.7
227.07054	1.5
230.96075	0.9
234.35727	0.8
243.02951	7.3
245.04594	1.3
245.08197	6.3
255.02991	15.6
256.03470	1.3
271.02502	31.0
271.06030	6.0
272.02939	2.5
289.07187	34.9
290.07596	3.6
299.01727	1.2
300.02753	64.7
301.03448	31.3
302.03876	2.1
321.49808	1.0
331.04507	2.0
335.17151	1.1
441.08252	36.8
442.08606	3.6
463.08813	100.0
464.09036	9.4
465.81387	1.0
669.00568	1.0
735.92230	1.1
762.11060	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.6823
Annotation	Unknow
Peak:m/z	Relative Intensity
68.46475	0.6
69.00372	5.9
69.00671	0.6
74.03055	0.6
90.44693	0.6
98.22635	0.9
104.47532	0.6
109.37621	0.6
116.29208	0.7
217.30966	0.6
217.40742	0.7
218.24858	0.7
277.13113	0.7
401.90161	0.7
453.33771	100.0
454.34131	16.3
501.45660	0.8
564.18353	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
67.59188	0.6
69.39586	3.8
71.01376	2.3
79.17564	0.5
81.70515	0.6
83.01379	1.1
85.02937	1.8
93.03458	1.1
95.01378	1.4
96.39220	0.5
96.95982	1.0
97.02896	0.5
99.62702	0.6
107.01378	3.0
108.02184	20.6
108.85265	0.6
109.02975	8.3
111.00871	0.7
113.02440	1.4
117.03469	7.4
119.05025	1.9
121.02924	1.5
123.00919	1.3
123.04559	1.1
125.02448	2.2
135.00929	0.6
137.02469	0.9
145.02965	23.4
146.03275	0.8
148.01663	0.8
149.02493	1.1
150.03244	0.6
151.00381	11.7
151.04097	0.8
152.01164	31.0
153.01955	10.6
161.02403	1.4
163.00368	2.4
163.04015	2.5
164.04738	2.2
165.02040	0.9
169.01424	2.1
175.03915	0.7
177.01930	0.9
178.99864	5.3
179.07098	3.1
180.00307	0.6
187.03993	0.9
196.01996	1.0
202.65373	0.6
203.03664	0.6
204.10081	0.8
205.04977	0.8
207.10245	1.3
211.04124	2.3
213.05591	1.7
215.03569	0.8
227.03464	2.3
229.05063	1.4
241.05438	0.6
243.03012	4.9
245.04597	1.6
254.02289	1.1
255.02960	15.3
256.03284	1.0
257.04602	1.0
271.02493	28.5
272.02951	2.5
273.04044	1.0
283.02487	1.3
285.04053	6.7
289.07196	1.1
299.02023	1.1
299.05927	1.1
300.02765	59.6
301.03500	47.3
302.03796	3.1
315.07251	13.0
316.07599	1.0
341.12381	2.1
373.09769	0.8
417.12061	0.9
447.09332	100.0
448.09610	11.8
449.10220	0.7
457.89731	0.7
461.11008	66.8
462.11337	8.6
462.20862	0.7
756.63580	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.7143
Annotation	Unknow
Peak:m/z	Relative Intensity
69.01309	3.5
88.52937	0.4
88.98900	0.4
89.35718	0.4
89.88896	0.3
96.13619	0.4
116.92932	0.4
149.22606	0.4
187.56720	0.4
371.14188	0.4
452.27869	0.4
455.35358	100.0
456.35693	13.2
456.42050	0.7
477.10928	0.4
577.79169	0.5
593.43616	0.4
911.67065	1.5
912.11572	0.4
912.66510	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
69.05633	2.0
69.06033	6.5
83.01388	2.8
93.03471	2.2
95.01398	2.2
97.02975	1.2
105.03470	2.7
109.02937	7.3
109.79511	1.1
121.02967	3.7
121.46690	1.3
123.00888	2.6
123.04585	1.5
124.01727	1.4
125.02457	100.0
126.02795	2.4
131.05057	1.9
133.02972	3.6
137.02443	11.2
139.04004	5.0
147.08391	1.3
149.02444	8.3
149.06091	1.2
151.04024	9.8
157.06589	1.3
159.04550	3.5
161.02435	14.4
163.00391	3.7
163.04002	3.4
164.01062	1.8
165.01935	5.3
166.02579	1.1
167.03526	6.7
169.01439	13.3
173.02377	1.3
174.03181	2.1
175.00317	1.5
175.04013	15.0
177.01952	64.6
177.05563	4.3
178.02318	4.1
179.03526	2.8
185.05948	1.3
187.04001	4.0
189.01991	1.9
189.05515	1.7
191.03506	2.5
191.05537	1.7
193.01427	2.2
193.05025	1.4
198.03133	1.7
199.04031	6.9
201.01900	1.9
201.05557	2.7
203.03517	2.9
211.03975	2.0
213.05605	2.5
215.03430	3.2
217.05101	9.1
219.02879	2.4
219.06612	2.2
221.04482	1.2
225.05692	1.5
227.03516	3.7
229.01472	3.6
229.04968	3.8
231.03003	2.5
239.03604	1.7
241.04982	3.5
241.21913	1.3
243.02983	14.0
243.06671	1.4
245.04602	4.6
253.05159	1.6
255.03049	9.9
256.03656	3.6
257.04605	2.3
261.04071	7.6
263.74451	1.2
267.02826	1.6
269.04636	6.2
273.04120	6.3
283.02472	5.3
285.04092	29.1
286.04120	1.3
287.05576	9.0
297.04095	4.5
299.05411	1.8
301.00305	2.5
301.03671	3.3
303.05090	10.6
305.06668	12.1
309.03955	2.0
313.07397	1.7
319.04709	2.2
325.06964	1.7
327.05020	1.7
379.08218	2.4
405.06119	4.3
406.06476	1.6
411.07153	4.5
412.88647	1.3
421.05563	2.0
423.07257	57.6
424.07330	6.4
435.07034	6.2
441.08173	2.4
447.07434	6.1
453.08420	1.3
457.07559	1.4
465.08154	7.7
483.09094	1.9
555.09271	1.8
573.10345	12.1
574.10437	2.1
575.09094	1.7
591.11517	21.9
592.11285	2.2
593.08655	1.9
609.12549	7.8
743.12195	1.7
761.13617	3.8
921.38428	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00326	4.2
69.46784	5.0
71.01390	3.1
75.08563	1.4
83.01379	2.0
87.00892	1.4
107.01396	6.6
108.02167	1.9
109.02969	4.6
113.02445	2.2
121.02978	5.6
125.02470	2.5
151.00378	23.2
163.00516	2.6
169.01430	2.5
175.02463	1.2
178.99883	11.1
204.23273	1.0
227.03423	1.6
229.05045	1.6
245.04544	2.9
255.03014	3.9
271.02524	2.1
273.04175	2.0
283.02536	3.4
289.07535	1.2
299.01907	3.1
300.02582	1.8
301.03537	100.0
302.03891	9.4
347.11642	1.2
476.57455	1.4
477.06775	57.2
478.07181	7.8
512.72632	1.2
756.56744	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01888	0.7
68.99810	1.3
69.03438	0.9
69.18762	1.6
69.19164	0.5
71.01384	10.1
72.99314	2.7
73.02934	1.3
75.00877	11.3
81.03478	0.4
83.01399	1.1
83.05022	0.5
85.02956	12.3
85.36684	0.3
87.00872	3.6
87.07800	0.3
89.02463	1.6
91.04031	0.5
92.46931	0.3
93.03472	0.9
95.01397	4.2
99.00877	6.6
101.02485	0.4
103.00376	1.1
106.92239	0.3
109.02928	0.7
111.00899	0.8
111.04495	0.6
113.02458	13.3
114.02766	0.4
115.00375	1.1
115.04018	0.4
117.01931	2.0
121.02962	55.6
122.03306	1.9
125.02444	0.6
129.01955	1.4
139.00359	0.3
157.01387	0.4
165.50056	0.3
175.02444	1.6
189.04021	0.9
231.05070	3.5
249.06157	37.5
250.06494	2.0
277.55093	0.3
353.08673	1.3
363.81845	0.3
371.09821	100.0
372.10168	8.8
541.15442	0.5
542.15967	0.4
543.16113	0.6
657.88373	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4249
Annotation	Unknow
Peak:m/z	Relative Intensity
64.33460	0.4
67.71374	0.4
69.39531	2.5
71.43053	0.5
77.44627	0.4
83.01365	0.7
84.32805	0.4
92.09997	0.5
95.01334	0.5
98.22549	0.4
107.01391	1.1
109.02959	0.6
121.02982	0.7
123.00903	0.5
125.02463	2.1
137.02441	0.8
138.49104	0.4
146.43155	0.4
151.00391	3.8
153.01999	0.5
163.00363	1.9
163.04047	0.6
165.01950	0.8
169.01424	0.8
170.91408	0.5
178.99937	2.5
190.02724	0.5
198.03316	0.5
199.03963	0.6
226.02788	3.3
227.03459	1.5
228.04147	0.5
243.02991	8.2
245.04660	0.5
254.02263	3.5
255.02907	3.3
271.02496	36.1
272.03018	3.8
299.01746	0.4
300.02768	44.3
301.00064	0.8
301.03436	15.4
302.03870	1.3
343.04337	0.7
360.10889	0.5
392.60837	0.4
410.99020	0.4
451.33072	0.7
463.08853	100.0
464.09204	13.8
613.63971	0.5
894.71558	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.3411
Annotation	Unknow
Peak:m/z	Relative Intensity
71.29211	1.2
75.87917	0.8
83.01395	5.6
93.03458	1.4
95.01376	1.3
97.02969	1.3
107.07594	0.8
108.02177	1.5
109.02972	8.8
110.06146	1.6
121.02976	1.6
122.03770	0.9
122.06139	1.3
123.00914	1.2
123.04519	4.5
125.02459	13.5
135.04543	1.1
136.01614	1.4
137.02460	33.8
139.04041	2.3
149.02437	8.3
150.03145	1.1
151.04060	4.9
159.04556	1.5
161.02446	3.4
163.00407	1.2
164.01151	1.8
165.01978	4.5
167.03571	0.9
169.01427	1.1
175.04045	1.3
177.01973	1.9
178.02739	1.2
179.03488	1.7
187.04034	1.1
193.24478	1.0
203.07135	1.6
205.05081	2.4
213.05557	0.8
237.10382	2.9
245.08220	3.1
249.10422	2.0
251.11824	1.6
253.14517	1.0
256.09927	0.9
257.08200	0.9
263.08270	12.9
264.08868	1.9
265.09729	1.0
271.18198	0.7
275.08405	1.1
276.08835	0.8
277.09879	7.0
278.10614	11.8
279.11316	5.9
280.12006	1.1
281.39108	0.8
288.08862	0.9
289.07144	6.6
291.11389	3.4
292.11975	0.8
299.05768	0.9
300.08844	1.6
301.07269	2.5
310.09579	6.0
310.12781	1.4
322.09656	4.6
323.10211	1.2
355.10757	1.4
360.17480	0.9
372.17331	1.0
383.14032	3.6
384.14383	0.9
388.16592	3.3
400.16797	5.8
415.12579	0.9
418.17709	4.1
420.19580	1.2
427.13177	1.6
428.13626	2.6
432.19165	2.2
450.20364	2.6
462.16534	1.1
494.19705	1.8
568.21112	6.1
569.21729	1.1
612.19678	8.0
613.20599	1.3
629.25787	1.2
644.22491	100.0
645.22803	19.0
720.25305	1.7
764.24792	8.2
765.25043	2.0
796.27173	16.8
797.27374	4.1
887.31207	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	921.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
68.56369	0.4
71.01382	0.7
80.24598	0.3
81.03458	0.5
85.02960	1.8
90.32564	0.4
93.03464	34.5
94.03764	0.8
95.01382	0.7
98.22636	0.8
108.02180	32.1
109.02972	12.9
121.02935	0.7
123.00868	0.6
123.04529	1.0
125.02457	0.6
135.04538	0.9
137.02454	52.9
138.02814	1.4
151.04022	0.6
152.01160	45.4
153.01953	18.7
154.02264	0.6
161.02480	0.6
163.04050	0.8
165.01962	0.8
173.06104	0.3
179.90448	0.3
195.02876	0.9
196.05302	0.4
199.04077	0.5
201.05540	0.5
213.05623	1.2
229.05138	0.5
241.05055	2.7
242.05878	0.7
243.06615	2.3
253.05084	0.5
273.07559	0.5
297.06198	8.0
315.07245	10.2
316.07407	0.8
333.07883	0.5
357.07590	0.6
375.08643	2.3
435.09332	100.0
436.09674	9.7
485.12445	14.4
486.12497	1.9
722.52203	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.4629
Annotation	Unknow
Peak:m/z	Relative Intensity
69.24405	7.5
71.01386	13.2
72.62328	1.3
73.02965	1.8
83.01405	1.9
83.05036	3.1
85.02976	2.7
87.00876	4.1
89.02448	11.9
97.02978	2.4
101.02428	11.1
101.22819	1.6
108.41068	1.5
113.02466	7.1
116.92853	2.2
119.03520	5.6
125.02476	4.2
125.36471	1.4
143.03502	2.7
157.02534	1.5
161.04582	3.8
163.11267	2.9
179.05608	6.7
209.11842	100.0
210.12154	4.8
221.06647	1.7
227.12910	30.0
235.08215	7.6
277.21735	55.7
278.22110	4.7
278.47321	1.4
287.07800	2.5
305.08981	2.6
323.09875	2.0
379.12561	9.1
397.13547	71.8
398.13821	6.2
415.14496	14.5
420.04416	1.5
559.99957	1.4
589.25061	3.7
607.26221	4.4
657.34821	2.7
675.35504	3.4
868.47461	1.6
921.46442	16.8
922.46655	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	925.4808
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01875	0.9
68.99814	2.1
71.01388	20.5
71.28345	0.6
72.99306	2.3
73.02953	1.2
75.00864	3.8
81.92995	0.6
83.01387	3.4
84.05463	0.6
84.66953	0.5
85.02959	11.2
88.98811	2.5
89.02448	12.2
89.02961	0.8
93.43726	0.6
95.01388	7.9
97.02943	1.3
99.00870	4.3
101.02448	9.2
112.01685	1.7
113.02461	14.6
119.03501	3.0
125.02491	1.1
131.63725	0.5
139.00487	1.0
157.01460	1.8
161.04666	0.6
169.20174	0.5
179.05696	0.6
411.42645	0.6
437.34448	1.2
448.08514	0.6
453.33755	3.8
454.34219	0.7
455.35336	5.8
455.41214	0.7
456.35965	1.0
459.30542	0.6
475.74039	0.6
505.37164	0.7
523.38074	0.8
537.35931	2.1
538.35999	0.7
549.35803	3.1
551.37402	3.0
569.38428	3.8
738.58130	0.6
745.41907	1.4
793.43646	0.8
925.48090	100.0
926.48364	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	925.6572
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03442	0.6
71.28839	0.7
74.46082	0.4
78.95919	1.0
96.96030	0.6
96.99319	0.8
97.48840	0.4
117.52682	0.5
130.48643	0.4
151.18556	0.4
152.99576	1.7
335.50571	0.4
407.33078	1.3
411.32938	1.9
423.32739	0.8
425.34415	0.6
439.32031	0.4
455.31705	100.0
456.32001	12.6
469.33273	51.1
469.40311	0.6
470.33640	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	926.497
Annotation	Unknow
Peak:m/z	Relative Intensity
69.24667	26.2
69.25067	100.0
71.09826	16.1
98.22519	34.3
145.02997	34.2
166.37019	15.7
181.67529	18.3
200.40291	18.7
209.11778	17.3
317.12949	21.6
380.31702	23.3
453.33795	21.4
617.38489	54.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.7087
Annotation	Unknow
Peak:m/z	Relative Intensity
68.64146	1.4
89.05565	1.8
96.96011	2.1
105.04337	1.4
137.22472	1.4
145.02895	2.3
220.48369	1.9
265.56659	1.4
427.35815	42.0
428.36127	5.7
453.33765	2.1
455.35349	100.0
456.35605	11.1
471.34848	85.6
471.41745	3.4
472.35379	8.0
617.38525	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	929.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01342	1.0
71.28694	0.4
78.10435	0.3
83.01368	0.3
89.02456	0.5
94.77277	0.6
107.01373	1.2
108.02187	2.5
109.03020	2.2
110.03334	0.3
123.00929	0.5
124.01650	1.4
125.02421	1.4
136.01753	0.4
137.02484	2.6
148.86043	0.4
151.00377	5.8
152.01216	3.0
153.01913	1.6
161.02498	0.6
163.00377	1.3
164.01134	1.1
164.29007	0.3
169.01344	1.0
178.99863	5.4
179.10817	0.6
180.00082	0.5
193.01430	0.4
199.03737	0.4
203.03471	0.7
214.02751	4.4
215.03458	0.5
223.09734	1.6
227.03610	0.6
232.03682	0.4
242.02228	4.0
243.02954	2.8
244.03490	0.5
255.02991	0.5
259.02505	3.6
261.03976	0.5
270.01688	4.2
271.02505	26.2
272.02768	2.4
287.01987	14.4
288.02512	1.9
299.02048	0.6
316.02249	74.2
317.02905	18.0
318.03186	1.5
403.16248	1.1
463.08875	100.0
464.09189	12.1
464.15552	0.8
465.10233	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	929.6645
Annotation	Unknow
Peak:m/z	Relative Intensity
69.22311	4.4
69.22726	1.8
69.50549	0.9
71.60855	1.0
78.10442	0.9
103.16400	1.0
107.13638	0.9
116.89068	0.9
150.02448	1.1
166.12610	1.0
311.16858	1.1
453.33765	100.0
454.34030	11.1
464.49741	1.1
702.74988	1.0
929.66498	99.9
930.66901	27.1
930.85510	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.6646
Annotation	Unknow
Peak:m/z	Relative Intensity
66.92926	0.5
69.57899	2.5
71.30028	0.6
104.30846	0.5
104.36093	0.4
120.45699	0.5
123.32520	0.5
129.79977	0.5
172.63864	0.5
304.63522	0.5
315.94101	0.6
453.33749	8.2
454.34146	1.3
569.48297	0.5
929.66486	100.0
930.66760	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	929.6885
Annotation	Unknow
Peak:m/z	Relative Intensity
70.11068	0.7
82.95382	0.7
83.10129	0.6
98.22626	1.3
107.49880	0.6
112.75182	0.6
122.79537	0.6
157.08083	0.7
198.95613	0.6
203.68613	0.7
256.14771	0.7
407.33218	1.1
413.34338	1.4
447.87338	0.7
457.33286	100.0
458.33670	13.0
471.34891	50.1
472.35339	6.3
513.77429	0.6
545.31567	0.7
689.66949	0.7
756.04144	0.8
775.22668	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.7243
Annotation	Unknow
Peak:m/z	Relative Intensity
69.24940	1.1
86.44902	0.2
86.98723	0.2
125.09756	0.3
152.99586	0.4
153.20625	0.2
233.76363	0.2
286.82285	0.2
360.51273	0.2
411.41034	0.2
411.46631	0.2
455.35342	100.0
456.35684	15.4
473.33041	0.5
481.44849	0.2
805.75482	0.2
929.65057	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.0644
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00315	0.9
68.05027	1.0
70.24372	2.6
81.25615	0.9
82.66545	0.8
93.03506	1.1
94.52826	1.0
95.01398	3.3
104.18485	0.8
105.61291	0.9
108.02142	1.0
109.02954	1.9
111.00900	2.9
117.03487	2.9
119.01551	0.8
119.04988	1.5
121.03005	1.9
123.00888	4.7
123.04527	1.0
125.02476	9.0
133.02994	2.9
135.04599	1.3
137.02458	1.4
139.00398	3.9
141.03494	1.1
145.02974	7.8
147.04561	3.6
149.02475	1.5
151.04091	1.1
157.02986	2.5
159.04509	4.2
161.02443	6.7
163.00386	2.7
163.04053	6.7
164.98332	4.5
166.99872	1.4
169.01479	1.1
171.00845	1.8
172.01718	1.2
173.02429	7.9
174.03032	1.0
175.03984	5.8
177.01965	4.1
178.99919	2.1
179.03586	1.6
181.01447	1.4
185.02495	6.8
187.00372	1.7
187.04037	3.5
189.01965	7.0
190.02655	1.9
191.03513	7.3
197.02486	1.2
199.00490	2.0
200.01273	1.3
201.01979	11.1
202.02568	1.2
202.99837	1.7
203.03539	10.3
205.01436	2.0
213.01982	7.8
214.02612	2.1
214.99861	3.5
215.03513	3.2
217.01434	6.7
219.03049	3.3
221.00862	1.5
226.99898	5.9
227.03615	1.1
228.00447	1.4
228.99136	1.5
229.01430	27.8
230.02129	2.2
231.03032	10.5
233.01091	1.1
235.02144	0.9
239.03560	1.7
241.01489	2.4
242.99374	1.8
243.02995	1.7
243.99998	1.3
245.00906	10.5
247.02551	3.9
249.04012	5.0
251.03456	2.3
254.99362	2.5
255.03110	1.1
256.00073	1.2
257.00940	19.0
258.01517	4.7
259.02463	7.2
261.00500	5.9
263.03561	1.1
270.98907	5.7
271.02689	1.2
271.99600	1.2
273.00461	8.3
274.01248	2.6
275.01999	40.4
276.02292	2.6
279.03049	2.2
281.04568	1.2
282.98849	4.9
283.01913	1.0
283.99741	7.2
285.00415	16.6
285.03369	1.5
286.00870	1.6
295.02457	2.4
297.04089	2.0
298.98444	4.8
299.01624	2.1
299.99179	8.2
300.99915	100.0
302.00253	6.7
307.02554	3.2
309.04062	1.8
310.98358	3.5
311.01761	2.0
323.01953	6.7
325.03622	3.7
335.01996	2.5
339.01559	2.4
349.00143	1.6
351.01462	7.6
367.00861	1.3
379.00970	2.2
381.02509	2.1
407.00485	4.6
409.02039	1.4
425.01453	5.1
432.98544	2.2
450.99423	55.2
451.99924	6.1
481.05948	7.1
569.18518	1.1
613.04535	2.2
631.05707	7.2
751.04279	2.1
763.03864	2.0
773.75421	1.2
781.06189	1.7
873.22620	1.1
933.06323	36.5
934.06592	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	933.0646
Annotation	Unknow
Peak:m/z	Relative Intensity
70.62769	5.2
71.27579	6.0
81.13626	5.7
95.01393	7.9
123.00921	7.6
125.02451	15.7
133.03006	6.0
145.02977	8.3
159.04539	7.4
171.42960	4.6
175.03970	10.0
176.38336	5.1
177.02019	12.6
187.00307	5.6
189.01904	6.4
191.03546	6.9
201.01883	9.0
203.03522	15.4
205.01483	5.4
219.02910	5.7
229.01361	13.6
231.03038	26.8
245.00877	16.3
247.02361	8.3
249.03993	39.3
257.00906	20.7
268.93698	5.6
270.98996	8.6
273.00336	24.4
274.01144	15.8
275.01846	27.0
283.99438	6.9
291.01535	6.5
298.98358	14.8
299.99051	19.3
300.99942	100.0
309.80270	5.3
314.00613	10.4
327.01691	5.6
337.03702	6.5
340.99295	9.1
393.02621	5.9
421.02338	9.9
425.01892	7.9
437.01755	8.1
467.02597	26.6
471.03375	10.5
489.04501	15.8
493.00497	21.2
507.06018	10.8
551.04309	10.1
569.05322	34.8
613.04425	18.8
631.05481	10.0
871.05847	6.6
915.05585	8.7
933.05676	23.6
955.86774	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	933.065
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00330	1.2
69.50925	1.4
69.59666	1.2
71.28220	1.7
93.03479	1.4
95.01403	2.7
111.00894	2.3
111.86636	1.4
117.03492	1.9
123.00897	4.2
125.02488	9.2
133.02974	2.7
137.02473	1.6
139.00365	4.0
145.02991	7.5
147.04555	3.1
148.46909	1.3
149.51250	1.3
149.67595	1.5
157.02969	3.0
159.00955	1.4
159.04535	1.7
161.02441	4.4
163.00461	1.5
163.04042	3.9
164.98326	2.9
169.01479	1.6
171.00854	1.6
173.02443	5.8
175.04042	2.7
177.01942	4.9
185.02496	6.7
189.01939	5.4
191.03435	6.4
199.00351	1.9
199.04213	2.0
200.01144	1.9
201.01930	10.8
203.03526	7.6
203.41341	1.3
206.99200	1.5
213.01933	4.1
214.99857	2.3
217.01469	4.0
219.03035	1.9
223.04131	1.8
225.05630	1.5
226.99808	3.3
229.01421	21.2
230.01985	1.7
231.02869	6.5
242.99403	2.5
245.00926	5.1
247.02477	3.2
249.04193	2.7
251.03534	1.5
254.99278	2.4
256.00021	1.7
257.00967	12.0
258.01599	4.5
259.02548	3.4
259.05960	2.6
259.99530	1.6
261.00330	4.4
269.04611	4.0
270.98871	4.0
273.00452	6.0
274.01196	1.6
275.02017	33.7
276.02332	1.7
279.02896	1.5
282.98831	3.3
283.99588	7.0
285.00412	15.5
295.02408	4.1
298.98413	4.9
299.99109	4.3
300.99921	100.0
302.00345	5.3
308.31488	1.5
310.98477	2.3
323.01944	2.9
339.01434	1.7
341.02899	1.5
349.00082	3.0
351.01428	5.1
381.02609	2.8
404.98895	2.3
407.00452	3.6
425.01382	6.1
449.10934	5.8
450.99454	69.4
451.99731	4.3
481.06195	5.7
483.11472	4.0
612.38391	1.6
613.04456	1.9
631.05780	6.9
751.03528	1.6
795.04382	1.5
828.18463	1.6
887.96033	1.7
904.33185	1.6
932.89850	1.7
933.06732	32.9
934.06403	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	933.174
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03463	1.7
70.93649	0.7
70.93987	0.9
72.50321	0.7
73.39539	0.7
74.27234	0.6
79.14865	0.6
80.22317	0.7
81.03500	0.9
83.01424	1.6
90.47765	0.8
95.01381	0.7
95.05035	1.2
97.02959	2.2
107.01397	1.8
109.02960	7.3
111.00900	1.0
121.02956	1.4
123.00911	1.7
123.04524	3.6
124.01668	0.8
125.02460	66.9
126.02749	1.1
137.02448	6.1
138.58990	0.6
139.00430	0.8
139.03943	0.7
140.01190	1.2
145.02963	2.0
146.03709	0.8
149.02455	1.6
151.04050	3.9
159.04500	1.8
161.02534	0.9
161.06084	2.3
164.01207	1.4
165.01944	2.1
166.99875	1.7
168.00664	1.3
169.01440	100.0
170.01811	2.6
175.04080	0.8
179.03516	1.4
185.06258	0.7
187.03987	1.5
188.04776	1.1
193.01450	3.0
202.06360	1.0
203.07153	4.6
205.05093	2.9
221.08228	0.9
227.07166	1.3
245.08237	5.6
246.08594	0.8
253.05206	0.8
259.87634	0.8
271.06128	5.3
289.07208	35.7
290.07578	1.5
297.97748	1.3
301.00012	3.4
303.05197	1.7
312.99893	1.2
328.02222	1.3
331.04630	2.0
441.08322	37.1
442.08923	3.6
450.99338	1.7
491.19836	0.8
566.61487	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01893	0.4
68.99812	0.4
69.18557	0.8
69.18951	2.2
71.01391	2.6
73.02956	0.7
79.01910	0.5
81.03478	0.4
85.02959	2.8
93.03462	8.7
94.93826	0.4
95.01408	2.0
97.02974	0.7
100.85358	0.4
101.02455	1.7
107.01374	1.4
108.02188	31.5
109.02972	14.3
111.00879	0.8
113.02451	1.3
121.02917	0.7
123.00912	3.5
125.02457	8.5
127.00330	0.4
136.01611	1.2
136.98799	0.6
137.02458	16.3
139.00400	2.3
140.01080	0.5
145.03000	0.4
147.04544	0.5
151.00375	1.7
151.04016	0.5
152.01166	42.4
153.01958	14.8
154.02487	0.5
163.04010	0.7
165.01927	0.4
168.00632	1.5
168.04283	2.7
169.01427	8.5
177.02028	0.5
179.03529	0.5
183.03012	0.8
206.03143	0.4
206.15567	0.4
209.04587	0.5
210.86749	0.4
221.04524	0.5
229.01413	0.6
275.01974	0.7
281.06705	4.1
300.99951	2.8
313.05850	2.1
315.07181	6.5
316.07675	0.5
327.07355	0.5
391.10086	0.7
435.09360	100.0
436.09723	9.2
450.99481	1.6
468.17053	0.5
497.13086	24.2
498.13489	2.8
665.84338	0.4
747.94879	0.5
933.05676	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
67.30559	0.2
71.28957	0.3
72.97375	0.2
73.23861	0.2
76.50484	0.2
79.95746	7.1
96.96021	100.0
97.95963	0.4
108.02194	0.2
109.02954	0.2
110.97610	0.5
121.02982	0.3
125.02482	0.6
136.01665	0.3
137.02454	0.8
150.03268	0.3
151.04028	0.6
163.46243	0.2
165.01930	0.4
169.01512	0.3
200.22353	0.2
247.61305	0.2
269.08176	1.7
299.09262	0.9
300.99680	0.4
314.11642	1.4
315.12354	0.3
329.13861	0.4
411.07629	0.5
424.08591	0.3
439.10696	61.3
440.11057	6.0
471.13437	0.3
585.44397	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.6465
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	0.9
71.28332	0.3
73.02949	6.9
78.95911	0.2
85.02946	0.5
89.53984	0.2
96.96020	1.9
100.52121	0.2
102.41075	0.2
113.73853	0.2
158.08501	0.2
178.07292	0.2
211.13466	0.2
390.80014	0.2
391.30002	0.5
397.30905	1.0
399.32629	0.8
411.32788	0.4
415.27011	0.4
415.32147	4.6
416.32599	0.6
429.33713	1.3
444.60391	0.3
459.31229	22.7
460.31485	3.3
473.32733	100.0
474.33093	14.6
474.40036	0.4
487.34351	0.8
492.69049	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.696
Annotation	Unknow
Peak:m/z	Relative Intensity
69.20394	1.5
69.20802	1.1
69.63143	0.4
157.86955	0.9
200.57607	0.5
209.11742	0.5
281.53885	0.4
293.68167	0.5
415.77319	0.4
434.37598	0.5
455.35333	100.0
456.35648	15.5
470.89047	0.5
567.86261	0.4
907.94250	0.5
933.69525	98.8
934.69861	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.696
Annotation	Unknow
Peak:m/z	Relative Intensity
69.12187	4.5
77.82356	0.4
94.77968	0.5
116.13625	0.5
136.53677	0.5
153.87849	0.5
157.86972	0.8
209.08148	0.5
225.05617	0.5
407.33307	2.2
455.35342	100.0
456.35703	15.8
618.36304	0.6
907.57550	0.6
933.69562	89.5
934.69940	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	935.0803
Annotation	Unknow
Peak:m/z	Relative Intensity
70.49299	1.5
70.49626	2.9
71.35656	1.2
93.03458	1.7
95.01389	5.0
107.01390	2.9
117.03414	3.2
119.01352	1.6
119.05004	2.0
123.00903	12.5
123.04506	1.5
124.01659	2.0
125.02458	21.6
129.03452	1.9
129.37831	1.2
131.05090	1.7
133.02945	2.9
137.02437	2.1
143.05078	2.0
145.02968	4.4
147.04541	3.9
151.04007	2.2
157.02884	2.0
158.03676	2.5
159.04482	5.9
161.02431	4.1
163.00330	2.0
163.04050	2.7
164.01138	2.0
165.01935	2.0
167.03564	1.4
169.01436	7.9
169.02641	1.3
171.04530	2.4
173.02458	4.3
175.04085	8.7
176.01003	1.3
177.01949	10.8
185.02446	4.3
186.03035	2.0
187.03987	4.3
189.01971	4.0
190.02692	2.3
191.03525	6.1
193.01396	1.7
193.06564	1.3
197.02412	1.7
199.04021	2.3
201.01950	10.2
203.03499	15.0
205.01378	2.7
209.06117	1.9
213.01845	2.6
214.02606	3.7
215.03474	4.1
216.00653	1.5
217.01410	6.0
218.02014	1.6
219.02948	2.7
221.04372	1.6
221.06229	2.1
225.01915	1.7
225.05670	1.7
226.02489	1.6
227.00029	2.2
227.03506	4.2
228.00720	1.7
229.01424	15.6
230.02071	4.2
231.02988	24.3
237.05533	1.6
242.02136	1.5
243.02969	12.0
244.00043	2.7
244.03447	2.1
245.00945	8.7
246.01608	1.4
247.02466	4.3
248.03105	3.1
249.03998	54.3
250.04329	2.7
253.01418	6.2
255.03004	3.8
257.00992	13.1
258.01639	7.0
259.02481	6.2
263.03549	1.5
265.04984	4.1
269.00903	2.7
269.04541	1.6
270.99799	2.0
271.02493	14.1
273.00494	7.8
273.03375	1.3
274.01248	9.7
275.01984	71.8
276.02231	4.8
281.00839	5.3
281.04266	1.9
282.01602	2.2
283.02496	3.1
283.99548	2.4
285.00626	3.0
285.03851	1.4
286.01031	2.8
287.02014	8.3
288.02679	3.6
289.00034	2.2
289.03458	1.7
291.01309	12.6
293.04291	4.5
295.02591	2.4
297.00394	3.8
297.03665	1.7
298.01123	2.3
298.98773	3.8
299.01981	100.0
299.99057	10.8
300.02499	10.7
300.99997	57.6
301.03494	8.9
302.00165	5.4
303.01340	2.2
303.05048	1.8
308.03244	1.6
309.04044	5.3
311.01947	4.4
313.00250	2.5
313.03470	2.1
314.00623	7.1
315.01489	22.2
316.99783	1.8
317.03046	9.4
319.01569	2.5
319.25610	1.4
320.02908	1.7
321.04053	5.9
323.01660	2.1
324.99850	2.2
325.03549	4.1
327.01477	6.1
328.02078	3.0
329.03000	12.9
337.03674	6.1
339.05045	2.3
340.99164	1.9
341.03012	5.8
343.01010	17.9
347.01758	2.8
348.02716	2.8
348.99518	1.0
349.03540	26.6
350.04047	5.8
351.05115	4.2
353.02945	2.7
355.04666	3.5
359.03799	1.6
365.02994	20.7
366.03574	2.8
367.04538	8.2
371.04025	2.1
383.04056	18.0
384.04639	2.6
401.05118	2.9
405.95245	1.4
419.06149	6.3
450.99542	1.3
460.16217	1.4
481.06299	2.2
553.06207	3.8
571.07440	10.1
572.07520	2.6
573.05042	8.7
574.05792	2.0
615.06317	3.7
633.07013	8.1
659.05280	1.4
783.07312	2.5
855.06708	1.9
873.08319	7.1
874.07898	3.1
917.06299	5.6
918.06543	1.6
935.07904	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	935.0802
Annotation	Unknow
Peak:m/z	Relative Intensity
69.45002	0.7
69.45393	0.5
77.79975	0.2
95.01387	0.7
98.21770	0.4
103.10573	0.2
107.01393	0.4
109.02975	0.4
117.03480	0.9
119.05027	0.8
121.02932	0.3
123.00912	2.2
125.02457	5.8
131.05046	0.4
133.02974	0.7
135.04553	0.7
137.02420	0.5
139.81946	0.3
145.02986	2.4
147.04512	1.1
149.02455	0.6
150.99176	0.2
151.04015	0.3
157.02960	1.2
159.04501	1.2
161.02490	1.8
163.04071	1.7
165.02000	0.4
167.03496	0.5
169.01454	2.3
172.01581	0.3
173.02444	3.1
174.03265	0.4
175.03990	2.2
177.01942	1.8
179.17035	0.2
184.01585	0.3
185.02437	4.4
187.04041	0.4
189.01991	1.5
190.02711	1.1
191.03477	2.1
199.00340	0.5
199.03990	0.3
200.01105	0.4
201.01953	4.5
202.02498	0.6
203.03511	3.7
205.01450	0.3
213.01981	1.1
215.03545	0.3
217.01337	1.2
218.02115	0.3
219.02914	1.2
226.99927	1.1
228.00581	0.6
229.01428	9.1
230.01845	0.9
231.02972	3.1
240.00410	0.4
243.03079	0.4
244.00154	0.6
245.00911	3.3
246.01482	0.5
247.02509	1.6
249.04071	2.7
254.99295	0.4
256.00052	0.3
257.00943	6.9
258.01605	1.7
259.02307	0.5
270.98874	0.7
271.99664	0.3
273.00388	1.8
274.01184	1.5
275.01971	16.5
276.02289	1.1
283.99646	4.1
285.00351	0.5
287.02118	0.4
291.01550	1.0
298.98349	1.0
299.99106	4.8
300.99905	100.0
302.00262	6.8
450.99274	0.5
463.05048	1.4
481.06158	0.8
481.16675	0.3
615.05634	0.5
617.62061	0.3
633.07373	14.4
634.07806	2.4
765.05853	0.4
778.08093	0.3
783.07013	0.8
934.89972	0.4
935.08057	7.4
936.08600	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.0804
Annotation	Unknow
Peak:m/z	Relative Intensity
77.36890	0.9
80.24312	0.8
86.43320	0.9
93.03478	1.7
95.01392	2.2
98.21741	2.1
107.01392	3.4
109.03006	1.8
115.05502	0.9
117.03490	2.2
119.05033	1.5
121.02897	0.9
123.00887	4.4
124.01689	1.6
125.02457	22.1
131.05035	2.0
133.02873	1.1
137.02444	2.1
139.04037	1.1
140.01180	0.8
143.05020	1.6
145.02962	4.3
147.04526	4.0
148.10930	0.8
149.02444	1.0
151.03905	0.8
157.02930	2.7
158.03775	1.1
159.04541	5.4
161.02463	3.0
163.00383	1.8
163.04022	3.1
164.01178	1.0
165.01927	1.5
166.99847	1.2
167.03506	2.1
169.01447	9.3
171.04510	2.0
173.02425	6.3
174.03273	1.0
175.04031	6.0
177.01985	4.9
183.04480	1.2
185.02431	5.1
186.03143	1.1
187.04057	4.3
189.01880	2.0
190.02692	2.1
190.99898	1.2
191.03450	3.9
193.01410	3.2
197.02423	2.1
199.03946	2.1
200.01184	1.0
201.01950	11.0
202.02570	2.2
203.03519	11.7
205.01382	2.2
210.03227	0.9
211.04057	1.8
213.01932	3.2
214.02689	3.0
215.03500	4.6
216.00568	1.0
216.04161	1.2
217.01411	2.7
217.04951	1.0
218.02231	2.1
219.02966	2.8
219.79985	0.8
225.01884	1.2
226.02693	1.4
227.03426	4.5
228.00591	1.7
229.01437	16.1
229.04826	1.4
230.02017	2.9
231.02979	11.3
239.03474	1.6
241.01164	1.8
242.02242	1.6
243.02979	8.0
244.03629	1.0
245.00974	6.3
245.04552	1.9
246.01399	1.4
247.02359	4.2
248.03020	1.1
249.03978	16.8
253.01440	5.2
255.02979	3.0
255.99994	1.0
256.03860	1.1
257.00900	14.3
258.01691	11.1
259.02347	5.7
269.00916	1.9
270.99176	2.1
271.02481	9.5
272.03229	1.3
273.00446	4.6
273.04004	1.7
274.01187	16.0
275.01984	100.0
276.02277	7.0
281.00876	3.3
281.04471	1.3
282.01645	2.2
283.02332	2.8
283.99667	2.9
284.03214	1.0
285.00546	1.6
285.04166	1.3
286.01108	2.3
287.02002	6.8
288.02872	4.1
289.03564	1.9
289.06906	1.1
291.01538	3.1
297.00488	1.5
298.01080	2.3
298.98575	3.6
299.01968	58.4
299.99005	5.3
300.02460	6.6
300.99976	59.3
301.03494	9.4
302.00491	4.6
303.01379	4.9
309.04071	2.2
311.02118	4.5
312.02667	1.7
313.00018	2.1
313.03226	1.8
314.00601	3.9
315.01578	5.1
317.02991	12.4
319.01917	0.9
327.01672	4.6
327.04898	1.2
328.02176	1.6
328.99432	1.6
329.03006	13.1
337.03442	2.5
340.02301	1.7
341.03040	4.1
343.01016	2.6
347.04248	1.5
349.03616	2.7
353.02805	1.6
355.04395	2.1
365.03006	8.6
371.04102	1.2
381.10931	1.0
383.04129	6.5
401.05130	2.6
419.06146	4.3
420.07022	1.1
437.07996	1.3
450.99521	0.9
453.10330	2.2
463.05115	2.0
481.06073	4.8
553.06323	2.4
571.07532	6.4
572.07819	1.0
573.05811	1.3
589.08911	1.8
615.05859	3.2
615.21124	1.1
633.07404	34.3
634.07257	5.4
659.05023	3.8
749.85077	0.9
783.06836	3.3
873.07660	1.0
903.51703	1.0
935.07544	14.8
936.09265	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	937.0953
Annotation	Punicafolin
Peak:m/z	Relative Intensity
69.03423	0.7
69.19142	3.4
70.97210	0.5
71.01380	0.5
71.66266	0.5
79.01886	0.7
79.95732	0.7
80.96498	0.7
85.02944	0.8
89.03941	0.7
95.01377	2.9
107.01371	2.5
111.00849	0.6
114.21257	0.5
117.03445	0.9
121.02961	0.9
123.00911	6.4
123.04515	1.2
124.01663	2.7
125.02463	20.6
129.03476	0.8
133.02968	1.0
137.02403	0.9
139.00407	0.7
139.04053	4.0
145.02927	2.3
147.04523	1.3
149.02412	3.1
151.00352	0.6
151.04031	5.6
157.02930	1.1
159.04530	1.7
161.02490	2.7
163.04007	1.8
165.01869	2.4
166.99808	1.1
167.03474	0.8
168.00591	1.9
169.01443	15.8
173.02460	3.6
175.03996	2.8
177.01909	2.5
185.02449	3.4
187.03989	1.2
189.01932	2.2
190.02689	1.0
191.03499	2.1
193.01425	2.7
201.02000	4.2
203.03528	4.9
213.01895	1.5
217.01413	2.4
219.03015	1.9
221.04532	1.0
227.00011	0.7
228.00528	0.9
229.01424	7.6
230.01981	1.0
230.99706	6.5
231.02994	6.3
245.00929	4.1
247.02435	2.4
248.03198	1.7
249.01474	0.8
249.04059	12.2
257.00937	6.3
258.01563	2.0
273.00409	4.1
274.01187	1.4
275.02008	20.1
276.02316	1.3
283.99756	3.2
289.07068	1.0
291.01321	1.4
299.05362	0.7
299.99112	2.9
300.99921	100.0
302.00275	7.3
303.04980	0.7
313.05820	3.0
317.06799	1.4
396.91376	0.6
397.02383	13.5
398.02643	1.3
399.01974	0.6
419.06165	2.2
465.06757	5.9
483.08252	0.7
599.06805	1.0
615.05951	0.7
711.70819	0.7
741.08716	1.0
767.07208	4.6
768.07404	0.8
785.08521	1.8
936.90796	1.1
937.09540	21.6
938.09210	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	937.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00317	0.6
67.77216	0.5
69.31941	2.9
71.01376	5.6
72.99306	0.7
75.00869	1.6
77.03960	1.1
79.01861	0.7
85.02960	6.4
87.00906	1.0
89.02428	0.7
93.03474	2.3
95.01405	1.9
96.05951	0.5
99.00879	2.7
102.41303	0.5
103.00380	1.4
105.03494	0.7
109.02964	0.6
109.45528	0.5
113.01738	0.9
113.02462	10.3
115.00365	0.6
121.02954	4.0
123.04531	2.3
125.02463	3.0
133.02977	0.8
137.02438	0.9
143.05040	0.8
149.02480	1.9
159.04475	1.2
165.01962	4.5
167.03471	0.7
169.01433	2.3
175.02501	3.9
177.01897	1.6
181.61290	0.5
184.05180	0.7
187.04002	1.4
193.01422	1.1
197.05948	0.6
199.07607	2.5
200.82794	0.6
201.05504	0.7
206.02277	0.8
207.02898	0.7
209.06334	0.6
209.08220	1.7
225.05563	1.1
227.07217	1.6
237.04903	0.7
240.04213	0.6
241.05075	2.3
243.02849	0.6
243.06586	4.5
253.05067	0.9
254.05656	1.0
257.04541	1.6
261.03601	0.6
269.04611	2.6
271.02298	1.4
271.06039	2.0
279.98737	0.7
281.04956	0.8
285.04068	2.4
297.04266	0.6
299.05612	100.0
300.05951	8.3
314.04294	10.4
314.07700	0.9
315.05133	8.1
316.05374	0.8
445.07559	1.4
461.10953	20.0
462.11038	2.0
475.08847	34.6
476.09351	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	937.6541
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03407	2.1
69.11797	0.7
69.12144	4.8
71.06091	0.5
158.54956	0.8
159.23888	0.6
179.22992	0.5
198.66473	0.6
262.09616	0.6
312.71588	0.6
413.34317	5.7
457.33264	100.0
458.33582	15.4
937.65424	90.7
938.65717	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.1115
Annotation	1,2,3,4,6-Penta-O-galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
67.01906	2.4
69.03470	3.0
69.52628	4.6
71.01385	1.2
72.99348	1.2
73.11208	0.9
79.01878	2.6
81.03471	1.2
83.01390	1.7
95.01392	13.1
97.02950	3.9
98.21855	1.7
107.01398	9.1
110.00045	1.2
110.72484	0.9
111.00909	3.2
113.02428	1.5
121.02931	1.3
123.00900	35.2
124.01664	3.1
125.02457	94.3
126.02802	3.4
127.00394	1.0
127.78118	1.0
136.98775	1.7
137.02454	2.7
139.00407	7.0
140.01208	4.6
140.82716	1.0
141.01982	1.7
143.05038	1.2
149.02515	2.2
151.00410	2.0
151.04005	1.5
153.01970	1.5
159.04465	1.9
161.02481	3.4
161.06068	1.3
163.04001	1.2
166.99876	13.0
167.03513	1.9
168.00658	9.2
169.01439	100.0
170.01808	2.6
173.02388	1.2
175.04008	1.8
177.01974	4.8
179.03551	1.4
187.04080	2.6
189.05632	1.4
191.03503	2.8
193.01427	3.0
199.03923	1.4
203.03581	2.8
205.01376	4.1
205.03200	1.0
205.05099	2.3
207.02985	1.4
211.02490	4.2
215.03560	3.7
217.01447	1.2
217.05043	2.6
221.00914	1.3
221.04411	1.0
231.02957	2.0
233.04567	2.7
235.06227	1.0
243.03040	1.5
249.04141	1.1
250.70357	1.0
259.02536	2.3
261.04083	3.4
277.03601	4.3
279.05048	2.7
285.03992	1.4
295.04575	4.4
300.99899	2.9
302.15222	1.2
313.05612	4.7
429.04379	2.5
431.06241	4.8
447.05469	5.8
465.06790	3.5
530.22791	1.0
556.07660	1.0
599.06830	5.9
601.08386	4.4
617.08014	14.2
618.08655	2.3
718.80090	1.3
745.50543	1.1
769.08936	54.3
770.09546	9.4
787.09741	7.1
788.10870	1.3
872.03271	1.1
939.11084	13.6
940.10376	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	939.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00326	3.9
69.72076	0.9
70.85663	1.8
75.36171	0.9
76.66489	1.0
83.01402	3.0
90.24657	0.9
93.03453	1.6
107.01398	10.3
121.02977	10.2
125.02460	2.8
149.02431	1.7
151.00378	45.3
167.03569	1.1
169.01437	3.0
177.02083	1.1
178.99879	17.9
179.15721	1.3
229.05121	1.5
236.05290	1.0
238.19749	1.0
270.03345	0.9
301.03546	100.0
302.03967	6.4
380.99243	90.9
381.99536	7.6
608.35406	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00306	1.3
69.12164	5.3
71.01385	7.9
75.77905	0.6
83.01384	1.0
85.02957	6.2
87.00896	1.2
93.88095	0.7
95.01382	2.2
99.00910	3.3
103.00377	2.1
107.01389	2.1
108.02232	1.0
109.03020	1.0
113.02471	8.1
121.02959	1.8
135.00882	1.0
148.01689	1.3
151.00386	7.4
152.91919	0.6
155.10701	0.9
163.00429	1.9
164.01216	1.2
165.01956	1.9
175.02405	4.8
178.99886	1.3
182.03621	0.7
227.03505	1.8
229.05342	0.7
243.03018	6.6
245.04556	0.8
246.28607	0.8
254.02164	2.3
255.00464	1.4
255.03000	19.9
256.03479	1.4
271.02493	38.5
272.02960	4.1
299.02020	1.2
300.02771	100.0
301.03436	23.3
302.03937	1.9
315.05124	84.6
316.05463	6.5
438.02231	0.7
447.09402	37.0
448.09732	3.7
491.08365	50.8
492.08566	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	939.6724
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03347	2.4
69.03770	1.4
78.95881	0.6
98.22556	0.9
104.45158	0.4
124.67628	0.4
137.02478	1.0
156.36356	0.4
174.18497	0.4
294.34811	0.5
407.29001	0.6
407.33783	0.8
409.31256	1.3
423.32678	17.9
424.33002	3.1
425.34204	2.2
439.32626	0.6
459.38724	0.5
469.33255	100.0
470.33606	13.5
915.75531	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01388	2.5
71.28178	0.5
71.28567	0.5
83.01407	2.1
85.02944	1.8
90.67473	0.5
93.03468	1.1
96.96018	0.5
107.01402	5.9
108.02244	0.6
109.02944	4.2
113.02438	1.6
121.02978	5.7
125.02452	1.5
131.44609	0.4
137.02466	0.5
139.03972	0.6
149.02425	1.4
151.00383	27.0
152.00941	0.6
159.04536	0.7
161.02420	0.5
163.00426	3.1
164.01071	0.6
169.01453	1.3
175.02580	0.7
175.03984	0.7
178.99873	12.9
180.00105	0.4
183.04454	0.5
187.03963	0.7
190.99957	0.7
201.05620	0.8
211.03984	1.9
214.02580	0.5
227.03516	2.1
229.05051	1.9
243.02942	0.6
245.04561	2.5
255.03004	4.6
256.03769	0.6
257.04712	0.7
259.02304	0.7
271.02533	4.2
273.03961	2.6
283.02383	2.1
287.02084	1.8
299.02087	2.1
300.02798	0.6
301.03540	100.0
302.03873	6.1
316.02234	6.6
317.02924	1.2
384.33942	0.5
404.21985	0.4
463.08963	6.4
464.09412	0.6
465.10516	0.8
477.06741	60.3
478.07104	7.3
517.94208	0.4
673.12170	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
69.65771	3.7
77.26752	0.9
88.81016	0.9
93.03463	36.5
93.54541	0.9
94.03790	1.2
95.01383	1.0
95.92005	0.8
98.21836	1.4
108.02179	31.8
109.02972	10.5
112.64304	1.0
121.02979	1.6
123.04554	1.6
125.02453	2.4
137.02463	49.3
138.02895	1.3
149.37898	0.8
152.01163	42.3
153.01956	13.3
167.03517	2.6
221.41661	1.0
273.07675	4.5
297.06091	6.1
305.50009	0.8
315.07288	11.8
435.09320	100.0
436.09814	9.8
816.01007	1.1
866.77032	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.3669
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01380	2.0
79.01875	0.6
85.02971	0.9
89.02451	1.1
89.51031	0.4
89.54264	0.4
93.03557	0.4
95.01417	0.9
97.03008	0.5
101.02423	0.7
107.01423	2.3
109.02942	0.6
111.00909	1.5
113.02499	0.5
123.00892	8.1
125.02460	14.4
126.02772	0.8
127.00394	1.0
130.72816	0.4
136.98819	0.8
137.02495	0.7
139.00386	2.4
140.01202	1.5
141.01970	0.8
151.00397	5.9
152.01039	0.7
167.03499	1.1
168.00633	3.0
169.01440	14.4
177.01913	1.1
179.10800	0.5
191.03601	0.6
205.12289	0.7
211.02470	3.4
220.94495	0.5
229.59052	0.5
271.04672	3.8
301.00153	1.2
301.03580	3.4
313.05768	1.2
316.02274	0.7
463.09091	0.6
477.06964	1.1
537.19812	100.0
538.20117	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.6862
Annotation	Unknow
Peak:m/z	Relative Intensity
72.07013	0.2
77.84113	0.2
82.82083	0.2
86.45776	0.2
89.96274	0.2
90.64215	0.2
165.09267	0.4
172.11143	0.3
207.15691	0.2
209.08229	0.5
210.08549	0.4
338.03107	0.2
357.28055	0.3
379.30188	0.4
380.48624	0.3
397.31259	1.6
407.33496	1.1
423.32706	1.7
425.34308	1.8
427.35678	1.0
428.36270	0.3
469.33334	25.5
470.33652	3.9
471.34805	100.0
472.35147	14.5
492.82263	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.6635
Annotation	Unknow
Peak:m/z	Relative Intensity
65.92084	0.4
71.28330	0.4
82.72866	0.3
83.68245	0.3
91.59000	0.4
108.09747	0.4
111.04330	0.5
181.04793	1.7
181.08443	0.7
182.05266	0.7
182.08904	0.4
183.06490	0.9
203.03084	0.6
225.07675	4.8
226.08061	1.7
227.08101	0.5
279.12076	0.4
407.33060	1.0
413.34311	1.8
421.31424	0.5
423.32684	0.5
439.31998	0.8
441.33847	2.7
455.31577	1.0
457.33252	100.0
458.33588	13.2
459.33896	0.8
467.31732	1.8
471.34830	50.1
472.35089	5.5
483.19974	0.8
484.20438	1.5
484.31461	0.7
485.32785	55.0
486.33090	6.8
641.29095	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.704
Annotation	Unknow
Peak:m/z	Relative Intensity
77.50047	0.7
97.06605	1.4
135.36510	0.9
171.23140	0.9
207.38229	0.8
247.05389	1.0
391.30069	1.2
405.31964	1.1
407.32999	3.3
451.32169	4.1
453.33820	18.9
454.34103	2.3
469.33163	1.2
471.34839	100.0
472.35104	14.9
487.34149	1.1
580.67767	0.9
591.46368	1.0
667.66583	1.0
743.75781	1.0
850.10327	1.0
856.96143	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
69.11078	2.4
69.11481	0.8
83.01369	0.6
89.36414	0.7
102.84841	0.4
107.01383	1.3
108.02231	0.9
109.02990	0.7
117.84483	0.4
120.99667	31.5
121.02977	1.1
125.02431	1.1
135.00925	0.5
148.01672	1.1
151.00365	5.1
152.01021	0.4
155.31712	0.3
161.02423	0.4
163.00414	0.9
164.01154	0.5
169.01468	0.6
178.99908	2.4
199.04047	0.5
211.03983	0.6
226.02783	1.3
227.03497	1.7
243.02969	5.9
244.03438	0.6
250.71451	0.4
253.84921	0.5
254.02126	1.9
255.02985	17.2
255.05708	0.9
256.03458	0.9
265.34885	0.4
271.02490	36.9
272.02905	3.1
283.02429	0.7
285.04004	1.3
286.17014	0.4
289.07196	0.5
299.02191	0.8
300.02765	85.2
301.03415	21.2
302.03735	1.1
433.07767	100.0
434.08078	10.3
449.38971	0.5
483.05255	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
66.31904	0.2
69.03445	0.5
69.09689	1.0
69.10097	0.6
70.91280	0.2
83.01398	0.6
83.05051	0.3
85.02954	1.7
85.06589	2.4
85.79716	0.2
87.04520	1.2
88.46928	0.2
88.88540	0.2
89.57866	0.2
93.03473	0.3
95.01405	2.8
95.05021	0.8
97.06637	0.3
109.02975	1.1
109.06609	0.7
111.00891	0.6
111.04523	3.2
111.08167	1.0
113.02467	4.9
113.06079	0.7
113.09753	1.5
114.02800	0.3
119.08674	0.3
121.06623	0.5
123.04491	0.3
127.07664	0.3
135.08162	0.7
137.02425	0.7
137.06085	0.3
138.03227	1.2
139.00392	0.5
139.07664	1.6
139.08627	0.3
148.05322	0.2
153.09186	0.3
155.07166	1.2
161.02399	0.2
163.04005	0.3
163.07672	1.7
164.01250	0.3
165.05562	3.2
166.06381	2.9
167.07109	0.9
173.08888	0.2
179.07161	3.2
180.07571	0.3
181.05177	2.2
181.08716	14.8
182.09082	0.8
183.06630	17.3
184.06960	0.6
193.05046	0.4
194.05850	0.4
195.47479	0.2
197.08130	0.3
203.03244	1.1
206.42345	0.2
207.06633	8.5
208.06969	0.5
210.05339	1.2
219.10306	0.3
221.08255	0.6
224.33356	0.2
225.07693	100.0
226.08022	4.7
235.13452	0.5
237.11324	2.6
247.05902	0.3
279.12396	8.9
280.12613	0.5
289.07053	0.2
311.05032	0.3
429.15363	1.6
461.21765	2.9
471.34744	0.9
472.35300	0.5
473.14316	15.7
474.14639	1.5
483.20142	2.8
484.20764	0.3
527.18658	1.3
607.56927	0.2
624.77972	0.3
709.28168	0.5
945.63538	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.6382
Annotation	Unknow
Peak:m/z	Relative Intensity
69.54515	0.6
133.02917	1.8
135.04469	2.6
137.02365	0.7
161.02495	3.4
179.03418	2.3
229.87408	0.7
238.33392	0.6
262.72397	0.6
325.81625	0.6
339.20337	0.8
453.33768	100.0
454.34134	14.4
461.32272	0.6
617.38556	12.1
618.38513	3.2
655.34088	5.4
656.34674	1.9
657.34473	0.7
945.63733	28.1
946.63928	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	945.6382
Annotation	Unknow
Peak:m/z	Relative Intensity
66.05612	1.0
69.55202	5.1
86.38889	1.0
94.63769	1.1
96.79737	1.0
161.02466	1.5
209.25342	1.1
453.33743	59.2
454.33936	7.2
596.98669	1.2
617.38452	1.8
919.42737	1.4
945.63873	100.0
946.64136	30.3
946.81842	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	945.6466
Annotation	Unknow
Peak:m/z	Relative Intensity
69.00581	0.9
69.01000	1.3
71.01381	1.5
71.50027	0.2
81.15045	0.2
97.06571	0.3
98.22524	0.6
111.00938	0.2
256.76349	0.3
350.76740	0.3
387.27280	0.3
389.28656	0.4
397.31412	0.5
413.30536	0.8
415.32178	18.1
416.32455	2.2
421.31573	1.2
439.32336	0.5
441.34500	0.3
459.31195	100.0
460.25089	0.7
460.31522	12.3
467.31735	5.0
468.32269	0.7
485.32907	16.4
486.33127	1.8
488.86646	0.3
850.75818	0.3
945.61542	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.6824
Annotation	Unknow
Peak:m/z	Relative Intensity
69.79067	0.7
69.79439	1.6
73.02930	0.4
75.18322	0.4
75.82413	0.4
107.88258	0.4
119.82026	0.5
128.39993	0.4
208.38599	0.4
379.30176	0.5
387.25284	0.5
409.31146	3.9
421.31012	1.1
421.99548	0.4
439.32208	5.6
440.32468	0.6
441.33945	1.0
455.31638	0.6
459.31250	1.2
460.32211	0.4
473.32748	31.5
474.33075	4.3
485.32751	100.0
486.26447	0.8
486.33157	12.1
517.31738	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	946.6715
Annotation	Unknow
Peak:m/z	Relative Intensity
71.29832	0.9
75.27026	0.6
78.24995	0.6
81.03464	6.7
83.05029	14.9
96.96024	7.2
98.95605	5.0
98.96204	0.6
98.96399	0.5
108.85378	0.6
109.02988	0.9
116.92951	0.7
123.00877	0.7
124.37705	0.5
125.02461	2.3
125.07233	1.0
126.05694	0.6
150.03259	1.0
165.05583	0.7
177.01826	0.6
196.05536	0.5
203.21880	0.6
207.14929	1.1
224.17726	1.5
225.16071	9.9
242.18788	0.7
333.23074	0.7
341.29422	1.1
433.31830	1.5
439.10468	1.2
440.11090	1.6
441.10849	1.9
442.10825	1.9
450.34537	1.8
451.32901	6.1
485.12640	1.6
503.13586	1.5
567.45947	0.8
677.50159	1.2
698.99384	0.7
703.22369	1.1
855.13928	0.7
903.66565	100.0
904.66876	27.6
964.14008	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.6972
Annotation	Unknow
Peak:m/z	Relative Intensity
67.39986	0.4
69.51402	0.6
69.94233	0.6
71.27985	0.6
73.02940	1.0
75.00880	0.5
96.96051	0.6
99.61926	0.5
121.88998	0.5
125.02481	0.9
135.03065	0.5
162.47934	0.5
162.85376	0.7
163.80150	0.5
180.85820	0.5
181.79510	0.6
354.90665	0.6
383.29709	0.6
409.31589	0.7
410.31403	0.8
439.32639	1.1
440.32813	1.5
443.32227	0.6
459.31323	2.3
473.32620	6.5
474.32990	5.4
475.33530	2.8
485.32767	8.7
486.33121	12.4
487.34451	100.0
488.34726	13.3
489.36038	0.7
630.53601	0.7
673.50848	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.7351
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03151	1.3
69.03564	0.8
73.41228	0.3
98.22546	0.6
104.11352	0.2
109.93314	0.3
136.23624	0.2
147.56439	0.2
150.59221	0.3
161.29204	0.2
188.10159	0.2
220.07300	0.3
413.30402	0.5
425.34448	0.5
427.35770	0.9
429.33862	0.7
472.35092	0.4
473.36420	100.0
474.36771	15.3
475.36966	1.6
476.37589	0.4
703.45789	0.3
807.92053	0.3
968.31720	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	948.4807
Annotation	Unknow
Peak:m/z	Relative Intensity
67.83219	13.6
68.91386	13.9
97.01796	14.2
98.22532	55.1
131.55016	14.0
180.71848	13.0
207.24712	13.5
229.13367	17.1
239.94701	14.4
471.34973	100.0
472.35165	71.7
473.35477	32.9
701.78540	16.3
777.23987	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	949.4966
Annotation	Unknow
Peak:m/z	Relative Intensity
66.04802	0.3
69.58134	1.2
70.90811	0.2
80.79076	0.2
96.95985	0.3
108.02100	0.4
109.02907	0.4
116.92838	0.5
121.02917	0.5
121.84632	0.2
123.04530	0.3
125.02420	0.5
133.02863	0.3
134.03748	3.2
135.04478	0.3
136.01669	0.4
137.02486	2.6
147.04541	0.3
148.05338	0.3
149.02452	1.6
149.05986	0.5
150.03244	1.7
152.01170	0.3
161.02426	1.3
162.01959	0.4
162.03235	6.0
163.04030	1.7
173.06049	0.5
175.04019	3.5
176.04782	3.0
182.02200	1.1
191.03532	0.3
208.03738	0.4
211.07668	0.3
213.05513	0.9
227.07108	0.4
237.05492	0.3
238.06186	0.4
239.07127	0.4
240.04286	1.1
241.05061	3.6
242.05487	0.3
252.04337	0.4
255.06659	2.2
256.07352	0.7
265.05106	0.8
266.05789	2.0
267.06616	4.0
268.03998	0.4
268.07193	0.6
269.04568	12.3
270.04907	1.1
282.05432	0.5
283.06149	9.2
284.06903	31.4
285.07297	1.9
299.09259	100.0
300.09610	8.2
461.14667	0.3
487.34418	2.7
548.81934	0.3
685.38232	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.5664
Annotation	Unknow
Peak:m/z	Relative Intensity
70.83501	60.8
71.01395	38.8
73.76152	30.4
95.00539	35.9
140.21263	34.0
200.44466	32.5
251.60872	35.9
255.23296	100.0
277.21671	75.6
347.06763	37.0
364.28076	38.2
397.13528	93.8
445.03629	41.0
916.15063	39.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.6698
Annotation	Unknow
Peak:m/z	Relative Intensity
66.12476	0.6
67.30295	0.5
132.87198	0.7
178.42863	0.6
213.07901	0.6
269.67502	0.6
407.33475	1.3
455.35349	100.0
456.35687	11.3
949.67004	32.2
950.66992	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	949.6693
Annotation	Unknow
Peak:m/z	Relative Intensity
69.00021	2.7
78.95290	0.3
98.22566	0.5
100.06385	0.3
109.49635	0.3
110.00143	0.3
261.96509	0.3
276.50143	0.3
301.77600	0.4
455.35336	100.0
456.35675	12.5
469.27109	0.4
480.72916	0.3
863.80316	0.4
949.66913	35.5
950.67096	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	949.7144
Annotation	Unknow
Peak:m/z	Relative Intensity
68.28095	0.3
70.28612	0.3
71.01387	0.8
71.28119	0.4
72.72958	0.3
73.02950	4.8
80.96505	0.3
84.02177	4.0
84.19327	0.3
91.36180	0.3
96.95986	0.6
116.92950	0.3
121.25570	0.4
161.50386	0.4
169.48552	0.3
197.11800	0.4
355.41296	0.3
357.27975	0.4
397.31259	0.6
399.32947	1.1
407.33197	0.4
409.31979	0.4
415.32440	0.8
427.32242	2.8
428.33005	0.5
429.33975	0.8
459.31158	2.5
461.29288	1.0
471.31140	30.7
472.31314	3.5
473.33090	0.6
487.34500	1.8
488.34683	2.0
489.36041	100.0
490.36383	14.2
871.78540	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.0743
Annotation	Unknow
Peak:m/z	Relative Intensity
69.35179	1.3
69.35593	2.3
71.01382	0.8
71.89458	0.6
83.01362	0.6
95.01374	1.8
97.02972	0.7
98.22500	1.4
109.02953	0.9
111.00884	1.9
117.03510	1.5
119.05019	0.9
121.02962	0.8
123.00889	3.8
125.02444	4.4
129.03479	0.7
133.02921	1.6
135.04630	0.8
137.02451	1.1
141.03476	0.7
145.02977	3.1
147.04524	2.8
151.04030	0.9
157.02919	1.3
159.04530	1.6
161.02461	3.8
163.00381	0.8
163.03983	2.3
166.55998	0.6
169.01398	0.9
172.01689	0.7
173.02463	4.6
174.03233	0.8
175.04012	3.5
177.01895	3.0
179.03458	0.9
185.02483	2.8
187.03999	1.0
189.01979	4.0
190.02710	3.2
191.03479	3.2
199.00378	1.7
200.01123	2.5
201.01949	7.5
203.03523	7.5
205.01418	1.1
213.01958	2.0
214.99931	0.8
216.00597	1.2
217.01399	2.7
218.02231	2.4
219.02943	2.2
226.99861	1.9
228.00624	2.0
229.01431	15.2
230.01944	1.6
231.03001	6.7
242.99255	2.3
244.00096	1.3
245.00871	7.3
246.01776	1.1
247.02463	3.9
248.03107	2.5
249.04018	5.5
254.99371	1.0
256.00436	0.8
257.00952	12.4
258.01636	4.5
259.02365	1.1
270.98801	4.0
271.99606	0.7
273.00394	6.1
274.01212	11.3
275.01974	40.8
276.02383	2.4
282.98788	0.9
283.99600	3.6
285.00238	1.6
289.07291	0.9
291.01645	1.3
298.98520	4.6
299.01852	1.1
299.99115	21.0
300.99893	100.0
302.00327	6.6
425.01709	3.0
426.46854	0.8
453.10333	1.1
461.03857	1.1
479.04593	0.8
480.05389	2.0
481.06287	7.4
482.06314	0.8
729.21985	0.8
745.03131	3.9
746.03906	1.9
763.04224	3.2
764.05042	3.5
781.05225	1.8
782.06158	9.6
783.06860	34.4
784.07562	5.5
806.59668	0.8
907.08698	4.6
908.08740	0.9
909.95300	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.0744
Annotation	Unknow
Peak:m/z	Relative Intensity
70.83682	2.5
100.57352	1.4
108.49240	1.5
123.00866	3.0
125.02463	3.7
145.02954	3.6
145.88843	1.5
147.04504	2.3
149.02411	2.0
157.02953	1.9
161.02464	3.3
163.03976	2.5
167.03535	2.1
171.00862	2.7
173.02452	4.0
175.04016	4.2
177.01918	3.1
185.02446	6.2
189.01939	4.2
190.02678	3.1
191.03537	3.5
200.01044	2.3
201.01924	6.0
202.02409	2.0
203.03452	5.1
216.00635	1.8
217.01370	3.8
218.02263	2.0
219.02953	2.0
226.99878	3.1
228.00764	1.8
229.01450	16.6
230.02077	2.1
231.03024	4.5
244.00194	1.9
245.00893	6.0
247.02472	2.0
249.04042	1.8
257.00836	10.7
270.98767	3.4
273.00281	7.7
274.01147	10.2
275.02017	33.4
283.99652	3.6
298.98270	5.5
299.99152	23.0
300.99927	100.0
302.00320	5.7
425.01721	1.8
447.44116	1.9
480.05460	3.0
481.06128	5.9
744.30725	1.7
745.02875	5.1
763.04181	2.4
764.04797	2.2
782.06140	9.7
782.94012	2.2
783.06909	28.0
784.07135	3.7
907.07660	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	951.6681
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03447	1.9
70.68532	1.4
96.96025	2.0
98.21659	2.9
110.40491	1.3
116.92924	1.7
124.22076	1.1
141.57542	1.2
159.30016	1.2
195.06554	1.7
206.67126	1.3
223.29572	1.4
249.32761	1.1
295.25806	1.3
407.33328	3.5
413.34195	3.1
455.31628	1.9
457.33286	64.4
458.33582	11.8
459.33588	1.4
471.34857	41.7
472.35513	4.7
937.09332	1.4
951.67010	100.0
952.67444	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	959.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
69.10762	2.9
69.11115	0.6
69.82993	0.4
83.01376	0.7
94.77322	0.7
104.59064	0.4
107.01379	1.3
108.02198	2.3
109.02386	0.4
109.02966	4.1
114.52807	0.4
115.70038	0.4
123.00867	0.9
124.01644	1.6
125.02515	2.3
136.01654	0.4
137.02487	2.8
140.25876	0.4
148.99019	0.4
151.00357	5.5
152.01181	2.5
153.01947	2.5
161.02409	0.4
163.00366	1.4
164.01218	0.8
165.01956	0.6
169.01385	1.4
177.01915	0.6
178.99893	6.0
183.02948	0.4
192.00757	0.7
193.01488	0.5
199.03934	0.4
203.03481	0.8
204.04311	0.6
214.02686	4.1
215.03398	0.6
223.09718	0.5
227.03491	0.9
242.02180	3.7
243.03043	2.8
244.03801	0.4
245.04439	0.4
259.02472	4.0
260.03030	0.5
270.01767	4.9
271.02487	26.6
272.02850	1.8
275.01990	0.5
287.01965	14.3
288.02521	1.3
301.03662	0.5
315.01364	0.5
316.02255	83.9
317.02951	18.9
318.03296	0.7
395.32333	0.4
463.08875	100.0
464.09109	10.0
495.11420	5.9
558.62189	0.4
679.39117	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
69.34507	2.9
71.01398	0.6
82.51437	0.5
98.22500	1.1
98.67271	0.5
107.01396	3.0
108.02184	2.2
109.02956	2.6
118.71550	0.5
120.99670	21.0
121.02959	2.5
125.02428	1.7
135.00858	0.7
148.01685	0.9
151.00371	11.0
151.72600	0.5
152.01109	1.7
153.01924	0.5
163.00391	2.7
164.01033	0.9
169.01357	1.3
178.99875	5.4
187.04012	1.0
211.04063	1.3
215.03667	0.7
216.04335	0.7
226.02763	1.0
227.03532	1.9
229.05214	0.9
241.05272	0.7
243.02983	5.5
245.04616	1.1
254.02263	1.2
255.02994	15.6
256.03406	0.9
271.02496	29.8
272.02878	3.2
273.03894	1.2
283.02502	1.5
299.02142	0.7
300.02777	63.8
301.03525	44.1
302.03714	3.1
329.06995	0.8
363.10260	0.5
447.09357	100.0
448.09692	10.0
449.09857	0.9
473.85541	0.6
511.18243	3.9
512.20209	1.7
746.73712	0.6
804.50183	0.7
810.96027	0.7
855.79559	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.6621
Annotation	Unknow
Peak:m/z	Relative Intensity
68.64662	0.2
69.03461	0.4
71.28294	0.2
73.02973	0.2
74.65702	0.2
96.96018	0.4
107.25003	0.2
109.02979	0.2
110.92950	0.2
159.73523	0.2
197.57761	0.2
264.66364	0.2
346.23465	0.2
355.37015	0.2
369.27670	0.2
429.33798	1.6
439.32202	0.3
473.32736	100.0
474.33099	12.5
475.33206	0.6
485.32816	9.2
486.33252	1.3
522.70197	0.2
563.33240	0.2
655.58295	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.6973
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03407	1.1
71.96644	0.1
133.28448	0.1
144.51135	0.1
191.94969	0.1
198.09419	0.1
377.21069	0.1
407.33090	0.5
469.33292	0.2
471.34793	100.0
472.35153	14.5
487.34491	0.7
663.76648	0.1
901.96014	0.1
919.94574	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	961.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
71.19252	1.7
73.18089	1.3
87.22386	1.3
107.01366	3.6
111.00862	1.9
116.86938	1.3
119.67165	1.5
123.00895	5.9
123.04551	1.7
125.02462	26.6
139.00369	1.4
140.01180	2.8
151.00357	4.3
158.87064	1.5
168.00668	2.5
169.01428	39.7
186.72215	1.4
211.02509	7.9
216.98077	1.8
234.69102	1.4
271.04688	4.1
313.05710	3.9
315.08920	1.5
331.06714	2.4
423.05884	3.0
483.07501	4.1
485.16760	1.8
569.22443	6.3
602.64233	1.4
713.36023	1.5
721.23602	100.0
722.23834	16.2
727.12653	2.0
782.15143	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.6765
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03458	0.7
76.55312	0.2
86.25101	0.2
91.08636	0.3
225.07626	0.3
253.58177	0.3
358.83600	0.2
393.64148	0.2
413.34457	2.2
414.34384	0.3
441.33865	0.5
457.33276	100.0
458.33609	16.5
459.33890	1.8
469.33231	0.8
470.33679	0.5
471.33759	0.4
499.10205	0.3
501.32086	0.4
502.32849	0.5
503.34406	2.1
504.34363	0.4
757.72516	0.3
961.66052	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.6776
Annotation	Unknow
Peak:m/z	Relative Intensity
69.19203	0.8
71.01367	0.3
73.02953	7.2
85.02943	0.5
121.93811	0.1
127.45100	0.1
132.28198	0.1
182.17574	0.1
182.95915	0.1
188.56212	0.1
231.27708	0.1
327.80093	0.2
369.31647	0.1
391.30005	1.0
393.31482	0.1
397.30948	0.8
399.33026	0.8
400.32843	0.3
401.33707	0.2
411.32745	0.4
425.29718	0.2
427.32501	0.2
429.33847	1.3
473.32739	100.0
474.33112	13.7
487.34467	3.5
488.34634	0.6
489.35062	0.2
782.91565	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.6051
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03446	1.4
71.01383	0.5
73.02941	0.8
81.03439	0.2
83.01363	0.2
83.05013	0.5
84.33944	0.2
85.02953	5.1
95.05041	0.4
96.96011	0.4
97.02951	0.8
97.06593	2.4
99.54687	0.2
101.54208	0.2
109.02945	0.3
109.06572	0.3
111.04564	0.4
119.08611	0.4
123.08172	0.3
125.09727	1.1
127.11313	1.6
137.09744	1.2
155.10796	0.5
155.14444	0.2
165.09189	0.2
165.12827	0.6
167.14410	0.6
168.73102	0.2
171.10278	15.1
172.10596	0.5
175.11224	0.3
177.12828	1.0
183.13908	2.6
185.11859	1.1
193.12311	0.6
197.11813	0.3
201.11337	0.6
203.10959	0.3
209.11848	1.1
211.13394	14.8
212.13753	0.6
221.11827	2.1
227.12810	0.4
229.14447	10.0
230.14786	0.6
239.12917	1.7
247.20631	0.4
291.19687	3.0
309.20657	0.8
327.21765	100.0
328.22128	8.3
457.43976	0.2
459.31104	0.2
473.32700	4.8
474.32993	0.6
594.46661	0.2
963.41510	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.687
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03463	6.4
83.04528	0.8
83.05031	15.4
91.87655	0.4
96.96049	0.4
108.04574	0.5
109.02922	0.5
125.02470	1.3
125.07229	1.0
126.05560	0.6
139.04004	0.4
150.03314	0.4
165.97197	0.3
169.01448	0.4
177.01978	0.5
193.26244	0.4
195.06625	0.4
207.15073	1.1
224.17760	2.5
224.20831	0.4
225.16103	10.3
241.47800	0.4
242.18756	0.8
257.74368	0.3
309.21967	0.6
333.23029	0.9
341.29330	1.1
367.27200	0.8
382.29425	0.3
385.28296	0.3
433.31732	1.8
450.34357	1.6
451.32932	7.5
452.33301	0.8
550.43451	0.6
559.39899	0.4
567.46344	0.6
677.49457	1.8
885.65765	0.8
903.66577	100.0
904.66901	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.6858
Annotation	Unknow
Peak:m/z	Relative Intensity
104.20900	0.6
163.35846	0.9
220.58656	0.5
282.98874	0.6
312.53339	0.6
393.31677	1.6
408.59406	0.6
464.33810	0.6
471.34824	93.6
472.35220	12.0
544.69122	0.6
788.92786	0.6
912.99524	0.6
965.68506	100.0
966.68774	25.6
969.78168	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.6862
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07279	4.3
69.07697	2.1
95.37901	1.0
99.99101	0.8
123.39644	0.8
125.19910	0.8
149.25145	0.9
261.47781	0.8
353.87311	0.8
471.34824	100.0
472.35245	11.4
477.98047	0.8
965.68518	67.9
966.69031	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	965.6856
Annotation	Unknow
Peak:m/z	Relative Intensity
72.79763	0.9
80.77676	0.7
98.15839	0.8
107.50639	0.8
121.65534	0.7
155.43396	0.9
167.94597	1.1
168.49031	0.8
168.70161	0.9
185.03583	0.9
219.71286	0.9
471.34857	18.5
472.35046	4.0
473.36420	1.0
707.64813	1.0
965.68518	100.0
966.68945	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	965.6854
Annotation	Unknow
Peak:m/z	Relative Intensity
69.52706	1.9
69.53142	2.2
137.20981	0.6
141.87453	0.7
159.31183	0.7
299.38046	0.7
337.63602	0.8
361.22726	0.6
393.31653	1.0
423.32840	1.4
430.04840	0.7
452.32513	1.4
471.34836	97.7
472.35181	13.5
473.35669	1.9
642.60431	0.7
649.37567	0.8
761.63171	0.8
965.68506	100.0
966.68835	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	967.7042
Annotation	Unknow
Peak:m/z	Relative Intensity
69.00248	1.5
69.00681	1.9
88.21201	0.3
206.06889	0.4
208.88765	0.5
325.26181	0.5
453.33768	100.0
454.34122	12.9
813.28699	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.7038
Annotation	Unknow
Peak:m/z	Relative Intensity
71.19659	1.8
73.23743	1.0
87.40081	1.3
99.50535	1.0
125.41626	1.2
153.72545	1.1
208.13240	1.0
254.84521	1.3
264.93994	1.3
412.93539	1.2
453.33759	100.0
454.34167	13.3
741.02911	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.6432
Annotation	Unknow
Peak:m/z	Relative Intensity
69.35185	0.8
69.35590	1.6
71.01316	2.1
73.02950	24.0
73.03323	1.3
74.91386	0.3
83.74419	0.3
85.02945	2.2
108.02149	0.4
150.80531	0.4
164.03789	0.8
169.46700	0.4
191.03365	0.5
315.08649	0.9
391.30081	2.9
397.13849	0.4
397.31168	2.7
399.32813	3.4
409.30765	0.5
411.32358	1.2
415.32278	0.6
427.32037	0.6
429.33914	4.3
430.33960	0.4
473.32733	96.0
474.33099	15.8
474.39990	0.5
475.33261	1.8
495.28207	0.4
541.02728	0.4
672.28296	0.4
707.54535	0.4
907.30634	0.5
969.64404	100.0
970.64691	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	971.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03654	3.2
71.01370	1.7
79.01885	0.5
81.03455	0.4
89.02448	1.0
93.03448	1.5
95.01384	0.9
97.02914	0.5
102.09723	0.3
107.01386	3.3
108.02184	27.6
109.03007	4.1
111.00901	2.5
113.02448	0.4
121.06603	0.5
123.00890	4.8
123.04507	0.8
124.01670	1.4
125.02456	22.9
126.02747	0.5
127.00384	1.1
133.02907	0.4
136.98820	1.1
137.02475	2.4
137.09731	0.9
139.00406	2.5
140.01158	2.8
151.00369	1.7
151.04045	0.9
152.01160	14.6
152.02397	0.7
153.01953	4.3
165.01939	0.8
167.03477	1.5
168.00658	10.5
169.01436	35.0
170.01813	0.6
171.72353	0.4
175.33224	0.4
194.14859	0.4
211.02487	60.2
212.02879	2.3
234.31583	0.4
241.03540	2.5
241.30206	0.4
271.04602	100.0
272.05048	4.8
273.04788	0.5
280.10721	0.3
331.06708	30.5
332.07126	2.0
449.10895	21.5
450.11069	2.3
453.51337	0.4
521.20313	56.2
522.20624	8.0
522.60992	0.4
630.38806	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
67.67931	1.0
67.82265	1.0
68.15427	1.0
71.01383	22.5
71.29693	1.3
72.99297	2.4
77.04803	1.2
85.02956	3.4
87.00876	3.7
89.02450	32.2
95.01362	1.2
101.02448	12.3
101.59903	1.0
108.02180	1.7
108.72810	1.2
109.02943	2.6
113.02452	9.9
117.26495	1.2
119.03507	11.2
121.02953	4.4
122.03732	3.0
123.04513	6.3
125.02453	4.0
134.03746	6.4
135.04509	6.1
137.02460	2.5
137.72925	1.0
143.03499	2.9
145.02966	4.6
146.03767	1.7
147.04539	5.5
148.05310	1.2
149.04631	1.2
149.06071	6.1
151.04015	1.4
161.04539	3.2
161.06070	2.5
164.04871	1.7
165.05550	2.4
175.04004	2.2
175.50197	1.1
177.05498	2.1
179.05615	19.9
190.06308	2.5
191.07079	1.8
203.07214	1.8
212.08415	4.3
223.07631	2.7
224.08176	1.5
225.05663	2.5
227.07083	1.7
229.95909	1.1
238.06348	1.4
239.07109	4.5
240.04305	3.4
240.07814	5.5
251.07100	8.5
252.07858	8.5
253.05092	3.0
253.08647	6.1
254.05786	2.9
255.06569	4.9
255.09801	1.0
266.05835	5.1
267.06705	12.9
268.07413	46.7
269.08081	11.5
270.08978	18.0
271.09531	2.2
283.09784	26.4
284.09998	2.8
285.11316	10.2
294.08975	3.9
295.09644	3.4
297.07663	3.0
301.10825	56.9
302.11179	3.7
309.11374	5.0
311.09225	3.6
312.10040	16.9
313.10397	1.9
326.11594	2.1
327.12375	100.0
328.12637	10.0
345.13580	1.3
463.16150	25.0
464.16104	1.9
489.17807	5.2
507.18738	30.9
508.18820	3.5
797.31909	1.1
992.29999	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	5.1
71.38440	1.0
75.00863	1.0
80.98717	0.9
83.01378	3.1
85.02972	1.6
89.02456	1.2
93.03486	1.5
94.76294	0.9
95.01420	2.5
95.55682	0.9
98.22552	2.2
107.01402	7.3
108.02169	2.7
109.02969	7.0
113.02451	2.0
121.02957	6.5
123.00913	1.1
125.02468	12.3
137.02451	1.9
139.04042	1.4
149.02431	1.2
151.00375	33.6
152.01094	1.9
153.01997	1.9
161.02414	1.6
163.00406	4.7
167.03407	1.1
169.01419	7.1
175.02449	2.2
177.01927	3.7
178.99863	15.2
180.20088	1.0
183.04556	1.4
189.01974	1.0
200.40015	1.2
201.05707	2.4
207.10237	2.8
211.02441	2.7
211.04060	2.9
227.03514	1.9
229.05003	2.0
243.03040	2.2
245.04506	3.4
255.02946	6.0
271.04764	1.9
273.04028	2.7
283.02487	2.5
289.07214	1.4
299.01840	1.3
300.02493	1.0
301.00424	3.3
301.03555	100.0
302.00635	1.5
302.03900	5.8
387.16602	7.2
399.62564	1.1
435.09348	4.4
477.06781	54.9
478.07132	5.9
479.12280	1.0
497.13220	2.0
539.17566	26.6
540.18127	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	975.6934
Annotation	Unknow
Peak:m/z	Relative Intensity
70.32129	0.3
70.32462	0.6
71.04975	0.3
73.02949	0.6
83.61641	0.2
96.86581	0.3
200.35413	0.3
252.07953	0.3
358.54269	0.3
375.28992	0.9
406.28870	0.3
413.34100	0.4
421.31219	1.6
423.32407	1.2
429.30048	0.6
439.32251	2.6
440.32681	0.8
441.33749	19.7
442.34085	5.2
443.35135	5.5
444.35291	0.7
457.33319	2.4
458.33798	0.4
467.31631	0.5
469.33154	3.5
470.33401	0.6
471.30875	0.4
485.32751	100.0
486.33096	30.2
487.34247	79.6
488.34680	11.9
489.36026	17.8
490.36664	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	976.5854
Annotation	Unknow
Peak:m/z	Relative Intensity
70.34296	96.9
70.34667	100.0
74.29234	43.0
97.85336	49.5
106.59127	52.8
114.92463	55.7
135.85361	44.3
246.01573	44.1
494.07275	47.0
523.48236	50.9
601.31342	51.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	979.252
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99835	1.1
69.03455	1.3
71.01382	9.7
72.99310	3.0
75.00877	7.4
81.03481	2.2
83.01391	3.8
85.02946	8.6
87.00880	3.9
89.02459	2.5
90.52316	0.9
93.03488	1.6
95.01409	3.4
95.05025	1.8
97.02953	2.4
99.00898	4.6
103.00408	1.0
106.04237	1.5
107.05020	7.6
108.02189	2.3
109.02945	13.3
111.00904	1.1
113.02462	13.9
115.00358	1.0
117.01941	1.4
121.03010	3.7
123.04530	11.1
125.02455	58.5
126.02810	1.9
129.01947	1.4
133.02992	6.8
135.04553	1.5
137.02463	13.8
139.04033	2.1
145.02888	0.9
149.02454	3.9
149.03488	0.7
150.03229	1.1
151.04012	18.9
151.05251	1.0
159.04552	2.6
161.02446	18.9
161.06085	3.2
163.00357	1.4
163.04018	1.7
164.01144	3.4
165.01949	3.2
173.02580	0.9
173.06035	0.9
175.02515	1.3
175.03969	6.5
175.07616	1.2
177.01935	4.1
179.03572	3.8
187.03987	5.3
187.17229	0.8
188.04834	3.7
199.03961	0.9
201.05544	1.2
202.06364	1.1
203.03502	1.3
203.07175	6.8
205.01448	0.9
205.05092	5.6
213.05521	1.1
215.03580	1.6
217.05043	1.1
228.96687	1.0
229.04941	1.9
231.02917	1.2
231.05057	1.0
243.02982	2.1
245.04443	3.6
245.08214	10.4
249.06171	13.8
255.03027	5.7
256.03732	3.0
257.04483	1.4
267.07217	25.6
269.04559	1.4
273.04095	3.4
281.04623	4.1
283.02429	1.2
285.04120	1.7
287.05594	7.1
289.07208	37.6
290.07648	1.5
297.04214	1.2
297.07568	1.4
299.05609	4.0
329.06778	1.1
339.08734	3.4
381.09625	1.2
389.06702	0.9
401.10904	100.0
402.11179	6.4
407.07745	42.5
408.08148	3.7
425.08789	34.6
426.09171	3.3
451.10416	13.2
452.10468	1.4
472.47134	0.8
559.12628	1.5
577.13580	28.8
577.37323	0.9
578.13837	5.1
660.42395	1.0
883.62372	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	979.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
69.77820	0.2
79.95743	6.7
96.96019	100.0
98.95561	0.3
108.02225	0.2
109.02908	0.3
110.97598	0.6
121.02931	0.3
125.02463	1.0
137.02467	0.6
151.04005	0.4
169.01346	0.3
172.35092	0.2
177.01993	0.3
181.22836	0.3
240.82977	0.2
269.08157	1.7
270.08652	0.2
277.06320	0.2
281.08316	0.3
299.09286	1.3
300.10068	0.3
314.11548	1.6
315.12439	0.4
329.14117	0.3
341.06000	0.2
345.05893	0.3
424.08664	0.2
439.10696	70.1
440.11063	6.9
463.28027	0.3
544.60413	0.2
572.22437	0.2
821.59686	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.6588
Annotation	Unknow
Peak:m/z	Relative Intensity
85.21918	0.4
91.57240	0.4
98.22514	1.1
114.25643	0.4
133.28618	0.4
145.02916	0.7
158.85873	0.4
160.01563	1.2
164.46184	0.6
175.03917	1.0
293.65219	0.4
393.31442	0.9
399.33127	0.4
404.72287	0.4
471.34811	100.0
472.35123	11.3
509.38812	0.7
547.31824	0.5
663.39154	1.3
664.39648	0.9
836.81812	0.4
882.34247	0.6
981.66022	34.5
982.66711	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	983.6487
Annotation	Unknow
Peak:m/z	Relative Intensity
71.28429	0.1
98.37039	0.1
104.97119	0.1
153.09230	0.1
256.87930	0.1
277.21725	1.1
316.78708	0.1
355.26395	0.2
403.29846	0.1
409.31308	0.1
421.31458	0.2
423.28323	0.1
423.32932	0.3
425.34396	0.3
469.33258	100.0
470.33603	12.0
473.28915	0.1
473.36591	0.2
501.31775	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	983.6987
Annotation	Unknow
Peak:m/z	Relative Intensity
96.05579	0.9
96.96041	1.7
117.82539	0.9
128.93765	1.0
209.77309	0.9
228.84619	0.9
300.22659	1.2
380.04297	1.1
405.31738	6.9
427.35764	1.3
451.32129	2.9
465.33759	40.8
466.34018	6.0
467.35110	3.8
471.34674	4.2
511.34329	100.0
512.34583	12.5
1008.15955	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.2986
Annotation	Unknow
Peak:m/z	Relative Intensity
69.02438	9.0
71.01366	1.4
85.02960	1.7
95.01397	1.2
108.02177	20.6
109.02974	9.3
114.22997	0.9
121.02943	1.4
123.00870	1.6
125.02468	3.0
134.03752	1.7
135.04498	2.1
137.02432	1.4
151.04002	1.8
152.01158	20.2
153.01962	5.3
163.04059	1.0
165.01895	0.9
179.03511	1.2
239.07051	1.2
241.04895	1.4
255.06566	3.9
256.07333	2.8
271.09799	3.1
289.07120	1.2
300.06256	1.6
315.08231	9.0
459.12952	2.8
569.16882	8.1
570.17670	1.2
596.14771	1.1
613.15643	100.0
614.16083	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	985.6631
Annotation	Unknow
Peak:m/z	Relative Intensity
71.28564	0.2
79.80894	0.1
92.51518	0.1
155.65790	0.1
379.29971	0.4
393.28052	0.1
395.29666	0.2
397.31097	2.2
398.31308	0.2
407.33212	1.5
408.33585	0.2
411.29044	0.3
423.32742	3.0
424.33157	0.4
425.34283	2.2
426.34912	0.2
427.35913	1.5
428.36298	0.2
469.33145	0.4
470.33307	0.7
471.34805	100.0
472.35162	11.9
821.19977	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	987.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99804	0.6
69.15946	1.4
69.16348	2.0
71.01385	4.9
72.99300	1.2
75.00868	1.5
76.40388	0.5
79.67715	0.4
83.01392	1.2
85.02953	7.8
87.00871	1.0
89.02473	0.9
93.03446	2.0
95.01395	2.8
99.00909	3.0
102.24111	0.5
103.00372	1.6
107.01381	2.8
109.02940	1.4
113.02460	12.1
117.01940	0.9
120.99666	5.8
121.02954	0.5
122.99266	1.1
123.04581	0.6
125.02433	2.0
129.01996	0.7
131.04979	0.6
135.00917	0.9
137.02458	0.6
139.00345	0.6
143.05040	1.7
151.00365	1.8
153.01999	0.8
155.05028	0.8
157.06607	0.7
159.04506	2.2
161.02449	0.6
163.00351	1.3
163.04021	0.5
165.01956	0.9
167.04987	0.8
169.01387	1.1
169.06558	0.8
175.02518	4.7
183.04550	0.6
185.06061	2.8
187.04033	3.5
189.05498	1.4
197.06166	0.8
199.04158	1.2
211.04007	1.3
213.05542	2.2
227.03461	3.0
229.05084	9.9
233.79681	0.5
239.03497	2.1
240.04182	0.9
241.05037	2.0
243.02977	0.8
255.03033	2.0
256.03644	0.6
257.04541	6.7
267.03137	0.6
285.04056	100.0
286.04413	5.4
289.07379	0.7
300.02979	1.1
301.03372	0.6
433.07782	1.4
461.07288	33.1
462.07642	3.2
545.78766	0.5
553.18829	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	987.6778
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03527	0.1
69.04501	0.1
69.19600	0.1
69.19788	0.2
69.20187	0.5
93.33691	0.1
191.14397	0.2
277.21735	0.4
413.30594	0.3
425.34424	0.6
427.35760	1.4
429.33902	0.8
469.33310	0.4
470.33435	0.5
471.34567	1.3
472.35187	1.7
473.36401	100.0
474.36777	11.7
474.43921	0.1
529.35242	0.5
607.24451	0.1
657.75562	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	987.6935
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03482	0.7
71.28378	0.6
120.69544	0.5
144.36186	0.4
176.15268	0.5
184.44893	0.4
185.36896	0.5
225.40446	0.5
289.00714	0.5
331.77255	0.6
413.34393	1.7
457.33279	100.0
458.33636	10.4
529.35413	10.8
530.35992	1.1
588.15112	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03456	2.2
69.24954	6.6
71.01370	2.0
73.02955	1.3
79.01887	1.7
80.43837	0.9
81.03455	1.3
85.02951	1.1
95.01394	8.8
97.02969	2.7
101.02470	2.7
105.03414	1.1
107.01390	17.6
109.02971	2.2
109.06606	1.2
111.00882	3.5
111.04527	2.4
119.05025	1.3
121.02978	1.6
123.00901	18.3
123.04544	1.7
124.01649	2.5
125.02456	100.0
126.02784	3.3
127.00397	1.5
136.98785	2.0
137.02469	4.1
139.00427	5.0
139.03868	1.0
140.01157	3.7
147.04599	1.2
149.02460	3.8
151.00412	2.6
151.03998	1.9
159.04501	2.1
161.02452	2.7
163.04013	1.7
163.16891	1.0
164.01251	1.0
165.01897	3.5
166.99869	4.6
167.03516	2.2
168.00659	11.0
169.01436	98.7
170.01816	2.8
171.04532	2.0
175.00380	3.3
175.03993	2.5
177.01936	1.9
179.03549	1.7
181.01469	2.6
187.04066	1.4
190.02644	1.1
191.03529	6.1
193.01428	6.7
195.06625	1.5
204.04233	1.1
207.03052	1.6
211.02478	22.8
215.03514	7.1
216.00609	2.2
217.05113	2.3
217.19141	1.3
218.05853	1.9
219.06638	12.8
231.06680	2.6
233.04567	1.6
233.08162	7.3
235.02521	2.6
241.03548	2.5
243.06624	16.7
244.07074	1.7
245.08286	3.5
247.06104	3.1
251.05644	1.7
255.06566	1.0
257.04514	1.8
257.08289	2.0
257.99689	1.1
259.02246	1.5
259.06064	3.4
259.09909	1.0
261.04147	2.5
261.07718	12.9
264.06470	1.2
271.04514	11.3
271.09802	2.8
273.07547	7.2
275.09326	5.1
277.03625	1.8
285.07721	2.6
287.09381	1.1
289.07141	2.0
291.08899	4.9
297.07727	1.6
299.09357	5.3
303.08734	17.5
304.09018	1.1
319.10425	0.9
327.08670	12.3
328.09198	1.2
345.09732	2.6
363.10916	5.9
381.11661	1.3
384.25876	1.0
423.05701	6.5
429.04611	7.0
453.12262	1.3
497.10916	7.9
511.93225	1.1
515.11969	20.1
533.12970	1.4
605.12836	1.3
617.07434	2.8
623.14099	1.1
649.11731	8.6
667.13116	32.5
668.13275	3.7
685.14038	31.3
686.14136	2.7
793.15576	1.9
819.14294	14.1
820.14307	3.3
837.15161	70.6
838.15662	14.1
989.16382	22.7
990.17560	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.23
Annotation	Unknow
Peak:m/z	Relative Intensity
68.81660	0.3
69.03117	0.4
69.03743	3.0
70.46857	0.3
74.08047	0.4
81.03475	0.5
83.38001	0.4
93.03461	0.4
97.63081	0.3
99.85214	0.4
108.02176	1.6
109.02960	17.3
110.03284	0.6
121.02962	1.1
123.04560	0.8
133.02946	0.4
135.04521	4.8
142.32901	0.4
159.04488	2.1
161.02428	0.9
161.06094	0.7
167.05074	0.6
171.04605	0.8
172.05240	0.5
173.06078	1.3
177.01886	0.5
177.05661	0.5
180.90863	0.4
181.06621	0.5
183.04497	0.7
185.06117	1.2
185.34261	0.4
187.04005	0.6
187.07722	0.4
195.04527	0.7
196.05353	0.7
197.06142	2.1
199.04019	1.7
200.04613	0.4
201.05577	0.9
209.06055	0.9
211.04041	1.4
212.04771	0.9
213.05585	3.8
214.71947	0.4
221.06168	0.5
223.07817	0.6
224.04802	0.8
225.05589	2.4
227.03514	0.7
228.04340	0.6
229.05035	3.3
235.07529	0.5
237.05562	0.5
239.03577	0.8
240.04312	3.0
241.05061	10.9
242.05635	1.1
243.06557	3.4
251.03380	0.8
251.07239	0.4
253.05034	4.2
254.05710	1.4
255.06638	1.1
261.05463	0.4
263.07135	1.1
265.05084	3.9
266.05795	0.8
267.06635	1.1
275.07101	0.8
277.05139	1.0
277.08585	0.7
278.05768	0.8
279.06714	2.2
281.08313	0.4
287.07275	0.6
289.05042	0.4
289.08594	0.8
290.05969	0.5
291.06622	3.4
292.07422	0.8
293.08038	0.6
295.09634	0.5
301.08859	0.4
303.06631	0.5
305.05038	0.5
305.08084	2.2
307.06461	0.7
307.09625	2.6
307.83835	0.4
315.06668	1.6
316.07385	1.2
317.04492	0.5
318.05231	0.6
329.08301	1.6
331.06110	0.8
331.09784	1.5
332.06665	0.5
333.07669	3.5
334.08444	0.5
339.06747	0.4
343.06033	0.7
344.06451	0.5
345.07703	1.2
347.09274	0.6
349.07101	0.8
357.07700	4.2
358.08286	0.9
361.07141	1.3
362.07980	1.7
363.08658	2.4
375.08768	18.2
376.08945	2.0
398.40891	0.4
401.10287	1.3
405.07672	0.4
467.11713	0.5
485.12445	100.0
486.12738	13.5
809.71783	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	993.6434
Annotation	Unknow
Peak:m/z	Relative Intensity
69.02991	1.0
69.03400	3.8
69.08861	0.5
77.37463	0.5
84.86904	0.5
92.22487	0.5
95.05028	0.6
95.26159	0.4
95.78691	0.5
98.70331	0.5
112.75644	0.5
114.71800	0.5
118.76880	0.6
158.92506	0.6
185.79099	0.5
327.23395	0.7
364.79605	0.6
393.31711	0.7
395.33408	1.4
421.31131	3.5
423.32782	1.2
439.32169	5.5
440.32355	0.7
441.33759	39.7
442.33990	4.4
474.46536	0.5
485.32730	64.8
486.33105	8.3
487.33926	0.7
993.64417	100.0
994.64746	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	997.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01403	0.7
71.29575	0.7
73.02946	0.9
84.28094	0.6
84.44933	0.5
93.03493	0.6
108.02175	1.5
109.02977	1.5
121.02962	13.2
123.04539	4.0
125.02451	0.7
134.03735	2.5
135.04521	5.3
137.02446	0.9
138.26570	0.7
145.02957	1.6
147.04463	0.8
148.05341	0.9
149.06059	2.0
151.42525	0.6
161.06085	1.3
162.06868	0.9
163.07686	1.6
169.01408	1.0
175.07637	1.7
181.64966	0.7
189.05609	1.4
211.94679	0.6
217.08430	0.5
221.08151	3.1
241.08693	1.4
251.06932	1.3
252.07802	1.0
254.05858	0.7
255.06413	0.9
265.08719	1.5
266.05862	0.6
266.09512	0.8
267.06732	1.0
267.10229	1.7
268.07376	4.8
269.08191	8.5
270.08746	0.6
271.09732	1.8
281.11826	1.1
282.09024	0.8
283.09738	4.9
284.10544	6.6
285.10840	0.7
297.11264	1.2
299.12933	8.3
300.13394	0.8
311.09265	5.0
314.04337	1.9
314.11548	1.3
315.05118	0.7
325.10751	0.7
328.02313	1.7
328.09729	0.8
329.06601	0.9
329.13889	2.9
343.04840	2.4
343.11865	100.0
344.12195	8.4
461.10822	1.1
491.12344	1.2
491.19232	23.0
492.19827	2.6
505.17197	54.5
506.17505	5.9
561.89850	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.6747
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02912	0.4
79.14336	0.3
109.50459	0.3
140.80669	0.4
149.57961	0.3
161.24525	0.3
168.84773	0.8
363.26938	0.6
371.55560	0.3
377.28748	0.5
379.30313	0.9
391.29977	0.6
393.31195	0.4
409.31146	2.9
421.31082	0.8
461.37094	0.4
487.34314	100.0
488.34677	9.8
488.41379	0.7
997.67517	87.7
998.67920	22.3
998.84094	0.4
END